smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NC(=O)c1c(CBr)no[n+]1[O-]	34504728	BFMZALWOVUAZLN-UHFFFAOYSA-N	221.998	-0.698	50	10	BBGE	
O=[N+]([O-])C1(CCl)COS(=O)OC1	39368730	ONNCMWLDVPNHHK-UHFFFAOYSA-N	215.614	-0.134	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCN1)c1ccco1	49819118	SVAFMLUCLBRQOG-ZETCQYMHSA-N	223.232	-0.207	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H](O)C2)cs1	82468698	WWKSWCZFLKNMTI-ZETCQYMHSA-N	242.304	-0.687	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1nnn[nH]1	82513175	LFMVAOBHVIIMSX-VKHMYHEASA-N	225.661	-0.624	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)CCO1	110569825	CFVGTCLRENNQKG-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[C@@H]1O	127607579	USMLJFTVSKKOAZ-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)CCCl	130227705	AAIOPDHADNBMGX-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
[C-]#[N+][C@@H](C)C(=O)N[C@@H](C)C(=O)OCC#C	169603336	NWFSUCZDNRKZRA-YUMQZZPRSA-N	208.217	-0.025	50	10	BBGE	
COCCOc1ccc(B(O)O)cc1F	203576249	UNHHNENRLGQLSR-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H](C#N)C1	211859970	GXPBOFQOTSZVQV-RKDXNWHRSA-N	226.280	-0.631	50	10	BBGE	
CC(=O)N(N)C(=O)c1ccc(Cl)nn1	215645353	ZMQHONFPOVPTNO-UHFFFAOYSA-N	214.612	-0.008	50	10	BBGE	
C[C@H]1COCCN1[C@H](C)CC(=O)NN	216472035	QAAFCYCRBWDMNS-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC(=O)NC1CCN(C[C@H](C)C(=O)NN)CC1	228340989	YMDLZLLBKBXBCO-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@@H]1O	232420852	UMGQFWOVUDVBKD-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](CO)[C@@H](O)C1	306185873	APZGYKAQJDMZLJ-ACZMJKKPSA-N	207.657	-0.575	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CCC(=O)NN	307300899	JKRHUYRNEHACTH-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC(=O)NNC(=O)CNCCC(C)C	308674311	VTZBXTLTADGYQJ-UHFFFAOYSA-N	201.270	-0.211	50	10	BBGE	
Cc1nc(N2CCC[C@H](C)C2)ncc1B(O)O	382728216	RZSLLYIBQQOBLF-QMMMGPOBSA-N	235.096	-0.299	50	10	BBGE	
COC(=O)n1c(B(O)O)cc2cc(OC)ccc21	385112728	QEWGDMNLIYWWEB-UHFFFAOYSA-N	249.031	-0.056	50	10	BBGE	
Cc1cc(OCCn2cncn2)ccc1B(O)O	385579177	FKUJAQLEUNBKOS-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C(C)(C)C1	388143583	DYBVWOUMDDLRPC-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
Cc1nncn1CCNS(=O)(=O)CCl	390441121	AVYIMBMDHPQVDG-UHFFFAOYSA-N	238.700	-0.298	50	10	BBGE	
Cc1cn(-c2cc(F)cc(B(O)O)c2)cn1	393779805	BBKVJHCFMMOHFN-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)ccc1F	396028892	UPISUAZONYLLIU-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
O=C(NCCCCF)c1cccc(B(O)O)c1	584990581	FLSRQNKPZWAJAM-UHFFFAOYSA-N	239.055	-0.154	50	10	BBGE	
CC1(C)O[C@H]2/C(=C/C#N)NC[C@@H](O)[C@H]2O1	687761306	WIMLSGGTZJODEX-ABSFWTIFSA-N	210.233	-0.122	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@]12COC[C@H]1C2	689285225	DXQLTVQMMYENLC-GUDRVLHUSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@H]1O	689814344	GENDHAHOOKRHSR-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCC[C@H]1O	689815151	JGCIOYUMBJDPGF-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C[C@@H](C)O)C1CC1	692095617	LUOGTJMSYZWSCQ-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@@H]1N(C)C	693629718	KWTNCWHHYIFJSG-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2CCCCO2)c1	694537766	YXGKJDOYZGMYSX-SNVBAGLBSA-N	224.069	-0.478	50	10	BBGE	
NNC(=O)CCCN1CCO[C@H](CCF)C1	700559158	CMQNDNZYHMBOCY-SECBINFHSA-N	233.287	-0.183	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1cc(B(O)O)ccn1	704174845	NMOLDGGULFIDIN-SSDOTTSWSA-N	237.068	-0.319	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NCC(Cl)Cl	705373614	YDBRDIDEDBXOFR-YFKPBYRVSA-N	228.123	-0.205	50	10	BBGE	
C[C@@H](Br)C(=O)N(C)Cc1nn[nH]n1	706753338	ZDJHDXMOYBRYGF-SCSAIBSYSA-N	248.084	-0.059	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)CCCl	706795545	CERQBNTWOPWCPU-UHFFFAOYSA-N	203.633	-0.213	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	707499147	OCHPFZJJYUWOAS-PHDIDXHHSA-N	240.712	-0.497	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1O	708050816	MAJHTZSSIXCWOI-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
O=C(NCB(O)O)C1=C[C](Cl)SC1	725599826	LODQRAPRBXXCER-UHFFFAOYSA-N	220.466	-0.484	50	10	BBGE	
CS/C=C/C(=O)NNC(=O)[C@H]1COCCO1	751585009	GKJJUGARBOPDNL-AJCRVFRXSA-N	246.288	-0.574	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NNC(=O)N(C)C	906450165	HQCFEAYIOSKQPJ-BIIVOSGPSA-N	229.280	-0.040	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN(C)CCOC	908114285	DSYYFOTVHVQCOU-PULIVWKDSA-N	202.254	-0.467	50	10	BBGE	
NC(=O)C[C@@H]1CN(C(=O)CCl)CCO1	1261845927	SFPOYVRCVCZYBN-ZCFIWIBFSA-N	220.656	-0.672	50	10	BBGE	
CC(=O)NNC(=O)[C@]1(C#N)CCCOC1	1330275120	QHTNJTMWLCGNDH-VIFPVBQESA-N	211.221	-0.526	50	10	BBGE	
CNC(=O)NNC(=O)c1c(O)nnc(C)c1C	1442150571	WJFPWYHQPMQVNZ-UHFFFAOYSA-N	239.235	-0.627	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccccn1	1540339275	KEWRYJAHWZDHRE-NSHDSACASA-N	235.243	-0.220	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCNC(=O)CC1	1570738701	LJWPGAFTMYNOEI-IUCAKERBSA-N	243.307	-0.754	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ncncc1F	1628645498	KHJPSFUQVHQQQB-ZCFIWIBFSA-N	244.226	-0.809	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1(F)CCOCC1	1631399081	RGYIMRFKLOCJOQ-UHFFFAOYSA-N	233.243	-0.193	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1nc2ccccn2n1	1638545968	XQXPCJFZKLAXJT-SSDOTTSWSA-N	233.231	-0.281	50	10	BBGE	
N#CCC(=O)NNC(=O)C1CCOCC1	1644340343	ISBXPTGBYMDJLK-UHFFFAOYSA-N	211.221	-0.526	50	10	BBGE	
CCC[C@@H](SC1CNC1)C(=O)NN	1882122241	YXNFEMSFIGWCAL-SSDOTTSWSA-N	203.311	-0.150	50	10	BBGE	
NCCNCC[S@](=O)C[C@@H]1C[C@H]1Cl	1883554517	VCSNRTYTDNTVNV-DAROEXNTSA-N	224.757	-0.089	50	10	BBGE	
NC(=O)C1(N)CN(C[C@@H]2C[C@@H]2Cl)C1	1883563378	KIVWJAZECAWXKA-WDSKDSINSA-N	203.673	-0.888	50	10	BBGE	
NC1CN(C(=O)NC[C@@H]2C[C@H]2Cl)C1	1883564621	VKTMHOIJMVQGKD-CAHLUQPWSA-N	203.673	-0.034	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1883640767	VWOFMOJPRLBSES-ZTYPAOSTSA-N	207.657	-0.528	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1NC(=O)C(=O)NN	1884880769	CMYZFFRNHNUHNI-CLTAVNFZSA-N	207.180	-0.864	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NCB(O)O	1889151341	UDDFJHWNSRHVBH-ZCFIWIBFSA-N	203.047	-0.682	50	10	BBGE	
O=C(N[C@H]1CNC[C@@H]1O)C1CC(Cl)C1	1893481576	ILSXUJGIKNFEFI-GHNGIAPOSA-N	218.684	-0.547	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)C(=O)[C@H]1C	1893840623	IDLMWCFFHNKCIH-CSMHCCOUSA-N	213.281	-0.131	50	10	BBGE	
Cc1ncn([C@@H](C)CC(=O)NN)c(=O)c1C	1894131064	GXGFGUIKMKZILO-LURJTMIESA-N	224.264	-0.199	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)C=CC(=O)Cl)C[C@@H]1O	1897219454	NDXBMBMRCMDPKC-SFYZADRCSA-N	246.694	-0.559	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	1898344141	XANDFXGSQRHNSO-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
COc1ccn([C@H](C)CC(=O)NN)c(=O)c1	1899441435	GNSUTDZQRHVHAV-SSDOTTSWSA-N	225.248	-0.202	50	10	BBGE	
CN1CC[C@H]1COCC1(C(=O)NN)CCC1	1899507745	BPQVZLXLXZVJQO-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCCN(CC)C(=O)c1cnsc1B(O)O	1900452245	QIFDZVTZRUONTE-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CNCCSc1ccc(C=O)c(B(O)O)c1	1901273634	PGZKCAZEYYQIOQ-UHFFFAOYSA-N	239.105	-0.510	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)C[C@H]1C	1901765171	UWOPUROJWFFOPH-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@]23CCOC[C@H]2C3)C1	1902506354	RVLUDAYGTTXLEQ-MXWKQRLJSA-N	225.097	-0.038	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)[C@@H]1C[C@H]1F	1907458299	JTOHLMFSFAVSOK-HZGVNTEJSA-N	241.002	-0.198	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC	1908889559	FMZDHNFDZCXWBP-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
CC(C)OC(=O)Nc1ncccc1B(O)O	1913670101	SNBWLLQLICSVDD-UHFFFAOYSA-N	224.025	-0.282	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)S(=O)(=O)C1CC1	1913794527	CBYPGIJCRKAPRW-POYBYMJQSA-N	247.320	-0.964	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)C(C)(C)C1	1914011127	OWFZEODRUZRFNN-GUBZILKMSA-N	243.351	-0.049	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]12CCOC2	1915573743	SYSNTAUCPVDTIV-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
CN(C(=O)CCCl)[C@H]1CCNC1=O	1916827128	WQQIQSOPRRFXMP-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCC[C@H]2O)C1)C(=O)NN	1918421857	VATWWZSTGYGNIM-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CS2	1927914012	PUIWOMLLEUIZKC-BZNPZCIMSA-N	227.333	-0.198	50	10	BBGE	
CN(CCCCO)C[C@@H]1C[C@H]1C(=O)NN	1927918578	VCLGKPSCIASRIL-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
Cc1n[nH]c(C)c1CC(=O)NNCCO	1929842837	ZUBQGPUTHOGAST-UHFFFAOYSA-N	212.253	-0.818	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@@H](F)C1	1930649519	LJOFRPIKKWVZDI-NTSWFWBYSA-N	203.217	-0.769	50	10	BBGE	
Cc1csc(=O)n1CC1(C(=O)NN)CC1	1931268252	DYELICHUNMYUSY-UHFFFAOYSA-N	227.289	-0.012	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@@H]2CO1	1931607693	RPKHZZFZDNACRI-PRJMDXOYSA-N	200.238	-0.976	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]1(C)CO	1932966432	CKTSEAHASZJZJH-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
COC1(CO)CN(C[C@H](Cl)C#N)C1	1935350468	WVWCKQQWTXJYBI-SSDOTTSWSA-N	204.657	-0.190	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CC(F)(F)C(=O)NN	1935933281	WWVGGUYCVBVLGV-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1	1936094925	RKSHQOAWJZLIGC-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@H]1C[C@@H]1C(=O)NN	1936095074	TVCJWROIOIHAPG-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H]1C[C@H]1C	1936527376	AJXHOVXGLOQHIM-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CSC[C@H]2C1	1936531998	HBQARHRIRAZOSO-RKDXNWHRSA-N	245.348	-0.712	50	10	BBGE	
CC1(C)OC2(CNC(=O)C(=O)NN)CC1C2	1939150394	KNGMXNYQCXGBTD-UHFFFAOYSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CCC1(C)C)C(=O)NN	1939464441	IUPBZLSSSCQZRR-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(C)(CO)C1	1940018451	LPRUJGNVOHSACI-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
CC#CC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1941763752	AWQBNPDSPOSTMS-JTQLQIEISA-N	235.287	-0.396	50	10	BBGE	
CN(C)NC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)O	1943151226	VIEVBWKPWCLXKU-SSDOTTSWSA-N	239.235	-0.463	50	10	BBGE	
COc1ccnc(O)c1[C@@H](N)[C@@H](O)C#N	1953061897	ZQOIYTYLDGZQFR-XNCJUZBTSA-N	209.205	-0.320	50	10	BBGE	
CN(C)NC(=O)N1CC=CC[C@H]1C(=O)O	1961363596	XQMAIUOEVYRQOE-ZETCQYMHSA-N	213.237	-0.112	50	10	BBGE	
O=C(NNCCO)c1ccc2nccn2c1	1976509600	UNPHPDXXOKLWDP-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@](O)(CC(=O)O)C1	1976906998	IOGCGTSBMYEKPG-SECBINFHSA-N	231.252	-0.916	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(C1CC1)C1COC1	1977188426	PGEOPFFHYODSCC-GMSGAONNSA-N	225.292	-0.524	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@H](CC)C(=O)NN	1978306383	WRHVHLJHXHNAJX-NXEZZACHSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@H]2CCC(F)(F)[C@H]21	1980940432	QSFKKQKDROYKJC-HSUXUTPPSA-N	233.218	-0.616	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2C[C@H]2C(=O)NN)c1	1981072770	NFBYXMXQDPDZEH-RKDXNWHRSA-N	221.260	-0.217	50	10	BBGE	
CCN(CC1CC1)c1ncncc1B(O)O	1981414612	UJWKBYRCRVJWTP-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
CO[C@@H](COc1nc(B(O)O)cs1)C(C)C	1981423045	YBSFWXJYQXYVCG-ZETCQYMHSA-N	245.109	-0.127	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCN(CCO)C(=O)C1	1982340682	OXHGLRZDZUPBTL-QMMMGPOBSA-N	248.710	-0.333	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Cn1cccc(B(O)O)c1=O	1984106964	KIAOEEKGJBAPBD-BRPSZJMVSA-N	221.065	-0.570	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	1986731147	ZOVQEQHICKDZIC-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C[S@@](C)=O)C1	1987038859	UZBKRHQHUJZBNM-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1CC1(F)F	1988004709	HSOKTULZMDFWCH-ZCFIWIBFSA-N	232.954	-0.313	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OC[C@H]1C	1990775567	XFNABPOKPKOFCD-SFYZADRCSA-N	229.280	-0.737	50	10	BBGE	
CN1C[C@H](C(=O)O)N(C[C@H]2C[C@H]2Cl)CC1=O	1991439688	UMBOIZWHHGSYLZ-BWZBUEFSSA-N	246.694	-0.159	50	10	BBGE	
CNC(=O)CC1CN(C(=O)C=CC(=O)Cl)C1	1991662221	JCIFPOQLFCZXKN-UHFFFAOYSA-N	244.678	-0.098	50	10	BBGE	
COC1(CCN)CN(C(=O)/C=C/C(=O)Cl)C1	1991704538	UDPPMGYOLJDGRR-NSCUHMNNSA-N	246.694	-0.116	50	10	BBGE	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NCC#CB(O)O	1992154448	YNQYERIVFPPWTJ-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1O[C@@]2(CN(C)CC(=O)NN)CC[C@H]1C2	1992390396	RGGQPOQFMUUAFY-QXEWZRGKSA-N	227.308	-0.134	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CN2CC[C@H]1C2	1996732521	ITAHSXWEZLMCRG-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ocnc1C	1998720980	TZIOZWXSTNFERR-MRVPVSSYSA-N	242.279	-0.580	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999844902	BKQQUXQIHZKXPR-GEVSDDDWSA-N	241.335	-0.296	50	10	BBGE	
CC(C)(C)NC(=O)C1CN(CCC(=O)NN)C1	2002647214	HRHUQMMHQXXNEM-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@H]3C[C@H]32)c1	2004486380	KQKJSZYTVVFFEN-ZJUUUORDSA-N	237.259	-0.144	50	10	BBGE	
COC[C@H](Oc1ncncc1B(O)O)C(C)C	2004934571	GYCALMKCEQTSCH-VIFPVBQESA-N	240.068	-0.794	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN(C)C1COC1	2005235661	WZDWGJPVTPBDCV-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ncccc1B(O)O	2005344815	JSIVSBCMEPPYHD-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
CC[C@@H](COc1ncccc1B(O)O)N(C)C	2008532862	YXQDKUFXXLEJKX-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CCCN(C)C1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2017467170	TZFPALVXDPYBQG-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H]2COC[C@H]21	2017525359	PXTKIPNAPAXEEQ-AXTSPUMRSA-N	243.307	-0.900	50	10	BBGE	
CCN(CC)CC(=O)N[C@@H]1CCC=C1B(O)O	2020058043	WWSIXONEGANULV-SNVBAGLBSA-N	240.112	-0.455	50	10	BBGE	
N#CC1CCN(C(=O)NCC=CB(O)O)CC1	2020068228	PAVZCOPICQYPMD-UHFFFAOYSA-N	237.068	-0.500	50	10	BBGE	
NNC(=O)c1coc(CN2[C@@H]3COC[C@H]2C3)n1	2021404608	RTZPQRWWCGUZBO-KNVOCYPGSA-N	238.247	-0.749	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1[C@H]2COC[C@H]1C2	2021410160	XEVZKIXZECRIJR-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1ccc(B(O)O)cn1	2025657584	BDQKFKCCOHNLIL-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(OCCCO)C1	2026044132	BBSWWRSAZQDDES-SNVBAGLBSA-N	245.323	-0.916	50	10	BBGE	
Cn1ccn(Cc2cncc(C(=O)NN)c2)c1=O	2027475775	VYBPYQNVZSHUQM-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	2052490595	CUGWFSXRJZOBON-MBSJRHIBSA-N	246.075	-0.420	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)c2cnn(C)c2)n1	2052559988	RJGUVZJROKSCQK-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1ncc(B(O)O)cn1	2086408410	JALOIMQYZSJJNK-ZETCQYMHSA-N	247.063	-0.715	50	10	BBGE	
C[C@@H](CC#N)N(C)c1cc(B(O)O)ccn1	2212600134	AQKRAAQCHIEUHG-QMMMGPOBSA-N	219.053	-0.500	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H]1C[C@]2(C)O)C(=O)NN	2213357771	ZEDAXMZEAPRMJY-LNLATYFQSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@H](O)[C@H]1C	2214803771	ILIGDMLSDCGCOE-KYXWUPHJSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](C1)C2O	2215777597	TZSSNHXSMVSNLN-YBTJCZCISA-N	239.319	-0.685	50	10	BBGE	
C[C@H](CCN)CCOc1ncccc1B(O)O	2217183927	LOGVWPKBDXRMEX-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CC(C)(N)CCOc1nccc(B(O)O)c1F	2217193308	SWKYWKRQMFZCFX-UHFFFAOYSA-N	242.059	-0.593	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)Nc1ccc(B(O)O)cn1	2217196462	FYSMYWYNSGSNDC-GZMMTYOYSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3COC[C@H]32)c1	2217202836	MACXTKACHPWOMZ-SZEHBUNVSA-N	234.064	-0.792	50	10	BBGE	
CCC(C)(C)CCn1cc(B(O)O)cnc1=O	2217412754	NPNVWHRLOUKWIB-UHFFFAOYSA-N	238.096	-0.251	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2220070673	FPZFNFWXQUMVAP-GWCFXTLKSA-N	249.119	-0.288	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1Cc2cncnc2C1	2221571224	DVHGENNLBGTVPR-SCZZXKLOSA-N	247.302	-0.192	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCCCNC1	2223635637	ZUENEPMWOVEUOC-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2c1ncccc1B(O)O	2223665311	FKFMTZNMKLJLHF-UISBYWKRSA-N	248.091	-0.889	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1nccn1C	2223677817	SYIDZNVLRUDVKL-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)C(F)F	2241478607	IWWBCIDSZZBXFN-RXMQYKEDSA-N	204.969	-0.838	50	10	BBGE	
C=CCN(CC(=O)NNC(C)=O)OC	2241804484	HQYCEDMCVVQXBS-UHFFFAOYSA-N	201.226	-0.797	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2241834332	XHATYXVBHMUCHG-JIGDXULJSA-N	239.724	-0.132	50	10	BBGE	
Cc1ncsc1[C@@H](C)NC(=O)C#CB(O)O	2243362517	SASMHBAIPCWQOZ-SSDOTTSWSA-N	238.077	-0.356	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)C1(B(O)O)CC1	2243363385	GANILMIDOJXODQ-QMMMGPOBSA-N	225.053	-0.852	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccon1	2243383343	XEMSWLBMUGOLHS-ACZMJKKPSA-N	224.025	-0.285	50	10	BBGE	
CC(C)(CN)CNC(=O)C1CC(B(O)O)C1	2243396496	MZLPGBNORXXNJV-UHFFFAOYSA-N	228.101	-0.660	50	10	BBGE	
CCC(C)(C)NC(=O)c1ncsc1B(O)O	2243397680	HGTQBCREYGUSRN-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@H]2CCCC[C@H]21	2243399438	MEAUNGRKZIEQHS-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
CC1=CC[C@H](CNC(=O)C#CB(O)O)CC1	2243400557	DATWTPBGLFHNIC-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1sccc1B(O)O	2243408620	QQIFQFWTISAKOS-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1nscc1B(O)O	2243409608	LMGBXENMGPPTBS-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCO1	2243410343	ZUNZCTCCXBYRIA-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
CC1(N)CCN(C(=O)C2(B(O)O)CC2)CC1	2243411421	STNCHPIBOXRMRD-UHFFFAOYSA-N	226.085	-0.667	50	10	BBGE	
CN1CC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2243413359	FEDOZSVZGNSGTG-AMDVSUOASA-N	226.085	-0.940	50	10	BBGE	
C=CCCC(=O)Nc1ccnc(B(O)O)c1	2243663434	HJGXBCSCIQAMRJ-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CN=c1nc(OC)[nH]c(=N[C@H]2C[C@H](Cl)C2)[nH]1	2243985645	ZLKUOBAJIWLHPF-IZLXSQMJSA-N	243.698	-0.053	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC12CCC2	2244547523	BOMUBNZUCOVZSJ-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
COCOCCCNC(=O)C1(B(O)O)CCC1	2247735450	YVRRDWXPLFWPPB-UHFFFAOYSA-N	245.084	-0.490	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)C1(B(O)O)CCC1	2247737860	LCWITRTWBMFOKK-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787175	LUOSHILDSISTOR-JXUBOQSCSA-N	240.112	-0.504	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2247791609	NPURMXXSVJRISV-GJMOJQLCSA-N	243.068	-0.837	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H](F)C1)C1CC(B(O)O)C1	2247801053	WKHPGSZDCQVOJP-PEBLOWIWSA-N	244.075	-0.944	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](CO)C1)[C@H]1C[C@H]1B(O)O	2247804565	HMHHUDAIFNJZDR-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CCOCC2)C1	2247805083	AUYCZESZMNOQEW-BDAKNGLRSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@H]1CNCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808647	VUWFHUNDFXSJIV-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
COC1CC2(CC(NC(=O)C#CB(O)O)C2)C1	2247842464	VCLCELUCJAWZEF-UHFFFAOYSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CNC(=O)C#CB(O)O)[C@H]1C	2247847923	DNIRTVGFMYLPHO-QEYWKRMJSA-N	239.080	-0.823	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1ccc(B(O)O)o1	2247849283	YBXRRICEZPRBES-RNFRBKRXSA-N	241.027	-0.611	50	10	BBGE	
C/C=C/CNC(=O)c1ncc(C)cc1B(O)O	2247851889	LRZMARYIFFZQGX-ONEGZZNKSA-N	234.064	-0.624	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2247854203	YQDVIYBUGXLQCB-YUMQZZPRSA-N	240.112	-0.375	50	10	BBGE	
NC1CC(CCNC(=O)C2CC(B(O)O)C2)C1	2247854829	IXBMBTGVDHRVQW-UHFFFAOYSA-N	240.112	-0.517	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)cn1C	2247874456	MPGKWWHJQJYFMV-PLNGDYQASA-N	236.080	-0.599	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247910265	OAMPFCQIFNFHJD-LRPJSKTQSA-N	238.096	-0.894	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)C1CC(B(O)O)C1	2248573779	JNMLHRABLLVMLL-UHFFFAOYSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588397	CGFRNVVMLGRXAE-WDSKDSINSA-N	247.031	-0.689	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2248969021	WRSSXVXKWCTIOM-MRVPVSSYSA-N	236.080	-0.402	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1cc(B(O)O)co1	2249406047	ARSXHZYZBCHDOC-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249410189	XUSMAMDSJUKNDW-BDAKNGLRSA-N	237.064	-0.266	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1cocc1B(O)O	2249433029	GVKGRZIVJPJRNY-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CC[C@@H](O)C2)CC1	2250532644	JSYCNKTVQTYSIV-MRVPVSSYSA-N	241.291	-0.870	50	10	BBGE	
CCN(C[C@@]12CC[C@@](C(=O)NN)(CO1)C2)OC	2251803447	ZJQKQZVNEHPIKM-QWRGUYRKSA-N	243.307	-0.201	50	10	BBGE	
CCn1cc(C(=O)N[C@H]2C=CCC2)nc1B(O)O	2255473503	LAPYCZNPXQIGNQ-QMMMGPOBSA-N	249.079	-0.969	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1occc1B(O)O	2255479862	VKZJTNUAYZRUPZ-BDAKNGLRSA-N	249.075	-0.265	50	10	BBGE	
CCCN(C(=O)c1ncccc1B(O)O)C1CC1	2255515890	DFFLRFQGEYISBR-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ncccc1B(O)O	2255518056	ZEQFYCFSRXXKGJ-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1ncncc1B(O)O	2255736658	RJEIOOSQKDBMNX-MRVPVSSYSA-N	249.079	-0.759	50	10	BBGE	
C#C[C@H]1CCN1C(=O)Nc1cccc(B(O)O)c1	2255891507	DVNURVVXAFLQIV-NSHDSACASA-N	244.059	-0.394	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1nccnc1B(O)O	2256069789	QLSOAKPKTRHVOM-SSDOTTSWSA-N	249.079	-0.973	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377532	UXLDOEFURFXPBI-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C(=O)C1(B(O)O)CC1	2299248868	HAWNDXBFKVWOOX-BDAKNGLRSA-N	239.080	-0.469	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN(CCO)C1CC1	2300395542	CZLPBAAEPQAJEZ-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
Cn1cnc(C(=O)N2CC[C@](C)(B(O)O)C2)c1	2303106033	RVYFUKQKCIPDLL-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
CN1CC[C@H](C(=O)N2CC[C@@](C)(B(O)O)C2)C1	2303106305	TVYLNYNWHDIHOG-GXSJLCMTSA-N	240.112	-0.597	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@]23C[C@@H](N)C3)CC1	2308559275	NEBMTZYMQRVPSS-CKYFFXLPSA-N	249.314	-0.009	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3n[nH]cc3B(O)O)[C@@H]1C2	2312856277	BLITWSRUMFHQCU-QXHCQDJKSA-N	249.079	-0.992	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]2[C@H](O)C3)nc1	2325334408	LDGYPNMZPWHCJW-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H](Br)C(=O)Nc1nnn[nH]1	41728527	DISLUOCCYKKTIV-UWTATZPHSA-N	220.030	-0.078	50	10	BBGE	
NNC(=O)CCNCCCn1ccnc1	58845472	MAVJNRVROXCAKR-UHFFFAOYSA-N	211.269	-0.757	50	10	BBGE	
NNC(=O)CCOc1cccnc1[N+](=O)[O-]	82464695	LQGOHZPIOXBDCS-UHFFFAOYSA-N	226.192	-0.251	50	10	BBGE	
CCCN1CCN(CC(=O)NN)CC1	82465982	ZAMPWOWYPFGPRF-UHFFFAOYSA-N	200.286	-0.996	50	10	BBGE	
NNC(=O)CCCCN1CCCOCC1	82469351	YLWBUOZXGLILDR-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
N#CCN(CC#N)CCCCC(=O)NN	84689268	AMTZGUKYKJGGGG-UHFFFAOYSA-N	209.253	-0.504	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCNC(=O)C1(C)C	93072273	DLCOMMSENCAHJE-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
CC(=O)OC1=C(OC(C)=O)C(=O)OC1=O	95754706	HJRDEQUJLQKDIL-UHFFFAOYSA-N	214.129	-0.592	50	10	BBGE	
C[C@H](CCl)S(=O)(=O)c1nnnn1C	162601976	FJUIUBJVTBAHHE-SCSAIBSYSA-N	224.673	-0.389	50	10	BBGE	
OB(O)c1cc(F)ccc1CO[C@H]1CCOC1	203528043	NBJMILAYBWTEHV-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc(C)nc1C	232421071	SWIMNZRZMUDXME-SSDOTTSWSA-N	213.241	-0.928	50	10	BBGE	
COC[C@@H](SC[C@H](C)N)C(=O)NN	232421687	JJGSTCXOGKFTIA-NTSWFWBYSA-N	207.299	-0.928	50	10	BBGE	
C[C@H]1NC(=O)[C@H]1C(=O)NNC(=O)OC(C)(C)C	238469681	OOSVZQCWDLFRDA-RITPCOANSA-N	243.263	-0.323	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C[C@H]1C	300354147	BOUTZWYFIBGZQB-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)c1cccc(CSCC(N)=O)n1	300792075	HPAUTSVTAKIZCB-UHFFFAOYSA-N	240.288	-0.596	50	10	BBGE	
CCOC(=O)/C=C(/N)NNC(=O)OCC	308745947	DYQIEFWRJYTFIL-WAYWQWQTSA-N	217.225	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](CO)CC1	378814275	AXXJYURTZJLMAG-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
N=c1nc(CCl)nc(NN2CCOCC2)[nH]1	381097204	WZVDECHUHYQJPI-UHFFFAOYSA-N	244.686	-0.318	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@](C)(CO)C1	381348823	HLGWRVJJSLGXGL-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
O=C(O)c1ccc2sc(O)c(B(O)O)c2c1	396386603	RACHTCHIHCATAZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC[S@@](C)=O	399896250	JCVBAORTUIEXHM-JKYUHCHBSA-N	221.326	-0.935	50	10	BBGE	
C[C@@H](CN1CCC(CCO)CC1)C(=O)NN	400998994	FUMYVKXGQUBFGI-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
CCOCC(=O)Nc1ccc(B(O)O)c(F)c1	404962223	DGFOPENSDONSJW-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
Cc1cc(NC(=O)c2cnn[nH]2)ccc1B(O)O	405003027	ORJIMZBYXTVVOE-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
N#Cc1cccc2c1CN(CC(=O)NN)C2	405071428	IBGZFILKWLNCQP-UHFFFAOYSA-N	216.244	-0.136	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584939750	MOWIHIAXXOPPLI-XVKPBYJWSA-N	219.049	-0.495	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1Cc1cccc(B(O)O)c1	688911987	LQSBRGUUYXFMLQ-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)N(CCCO)C(C)(C)C	690124951	NMVUQAGPUNVCKT-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
O=C(CC[C@@H]1CCCCO1)NCB(O)O	702028162	DAGJXNLYZPSXCU-QMMMGPOBSA-N	215.058	-0.536	50	10	BBGE	
Cl[C@@H]1COC[C@H]1NCCn1cnnn1	712537770	IWWBSISDNZBMGW-RNFRBKRXSA-N	217.660	-0.731	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCB(O)O)C[C@@H](C)O1	724375717	MLLPEFRVNPVBSK-JIGDXULJSA-N	215.058	-0.682	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@@H]2COCCO2)CC1	760580034	BTJCDTFEWVJWBW-ZETCQYMHSA-N	228.248	-0.651	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	820936742	OVWNNUAJZCUDCE-HRDYMLBCSA-N	242.275	-0.262	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NNC(=O)N(C)C)C1	847402833	LMGQSOGSGPYWMW-MRVPVSSYSA-N	228.296	-0.369	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C)CCN(C)C1=O	910138662	KCTVEEQTUDHFQV-LDYMZIIASA-N	243.307	-0.801	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)NNc1ncccn1	929896467	JIGZRWRZHKMSDE-YUMQZZPRSA-N	238.247	-0.276	50	10	BBGE	
CC(C)(C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1	1329215035	MMYHQOUQDXZIMI-ZCFIWIBFSA-N	229.041	-0.828	50	10	BBGE	
O=C(CCF)NNC(=O)C(=O)N1CCCC1	1331922401	JMADRNBDEHBJGG-UHFFFAOYSA-N	231.227	-0.884	50	10	BBGE	
CCC[C@H](OC)C(=O)NNC(=O)c1cnn[nH]1	1543026917	LPRNTQUWTNDFQR-ZETCQYMHSA-N	241.251	-0.619	50	10	BBGE	
CCNC(=O)NNC(=O)C[C@H]1CCC(=O)NC1	1631194254	VYQZPIYCDXWXPK-SSDOTTSWSA-N	242.279	-0.747	50	10	BBGE	
NCC(CN)NC(=O)[C@@H]1C[C@H]1Br	1877409571	FVUMBLJMENUJNI-PHDIDXHHSA-N	236.113	-0.828	50	10	BBGE	
Cn1nncc1CCNC(=O)CBr	1882228494	OBFWVGWQMZLQAY-UHFFFAOYSA-N	247.096	-0.131	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)F	1882789958	RQRHYVBPCFPVQX-UHNVWZDZSA-N	211.214	-0.523	50	10	BBGE	
NC(=O)NNC(=O)c1n[nH]cc1Br	1883050054	PQEIBBLNCLLSRG-UHFFFAOYSA-N	248.040	-0.515	50	10	BBGE	
CSSCCNC(=O)[C@H](N)CCO	1883266805	IMLUCWHJBBXFMP-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C(=O)F	1887186594	PGNLWRPUTYAMBN-LURJTMIESA-N	204.201	-0.087	50	10	BBGE	
C=C(C)C(=O)NN(C)S(=O)(=O)CC	1888561960	MRFZIESRTXQPBN-UHFFFAOYSA-N	206.267	-0.125	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CC(CO)C1	1890518586	AWIFPNFJLBAHLP-JECWYVHBSA-N	201.270	-0.933	50	10	BBGE	
CN(C)S(=O)(=O)CCCNC(=O)F	1890855611	ANVOVYBLNMYVMQ-UHFFFAOYSA-N	212.246	-0.053	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@@H]1OC[C@H]1C[C@@H]1Cl	1893098319	HXOONARQGHFKDJ-CWKFCGSDSA-N	239.724	-0.245	50	10	BBGE	
NC(=O)CN(CC(=O)O)C[C@@H]1C[C@@H]1Cl	1893101076	YZKFSXRQKQUECT-WDSKDSINSA-N	220.656	-0.514	50	10	BBGE	
CC[C@@H]1C[C@H]1COc1ncc(B(O)O)cn1	1897622110	XOICWQGCBGRQLK-SFYZADRCSA-N	222.053	-0.419	50	10	BBGE	
COC[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903005244	DXZATSAZCNWYEW-ZCFIWIBFSA-N	228.032	-0.653	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@@H]1C[C@@H]1F	1907456209	VENFKVUGRPMQSA-BDAKNGLRSA-N	237.039	-0.029	50	10	BBGE	
CC(C)n1ccnc1CNC(=O)C(=O)NN	1913314910	KQSREKDRJSFSHQ-UHFFFAOYSA-N	225.252	-0.930	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN=S2(=O)CCC2)O1	1913860821	FKBFOONFZPWJHN-HTQZYQBOSA-N	247.320	-0.604	50	10	BBGE	
C[C@@H](CN1CC2(CCOCC2)C1)C(=O)NN	1915590713	RPLHIGOGDKGQHX-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
OC[C@@]1(F)CCN(C[C@@H](O)CCl)C1	1917140399	HUSBLHHHGFUFMR-JGVFFNPUSA-N	211.664	-0.008	50	10	BBGE	
CC1(C)C[C@@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1923163609	JDSGDSQYPPYJCO-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CCO)NC(=O)NNC(=O)C(F)(F)F	1923449333	WKSFUGVTCNJRTM-BYPYZUCNSA-N	243.185	-0.350	50	10	BBGE	
Cc1csc(=O)n1C[C@H]1C[C@H]1C(=O)NN	1927911832	RTOXFJNCHPMOAT-RNFRBKRXSA-N	227.289	-0.156	50	10	BBGE	
O=C(Cn1cncn1)N1CC(CCl)C1	1928690773	QRQPSRADTNWHOT-UHFFFAOYSA-N	214.656	-0.025	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)[C@H](F)C1	1929909613	ICFKIQQBHOADTN-HSNKUXOKSA-N	219.260	-0.985	50	10	BBGE	
CCCC1CN([C@@H](COC)C(=O)NN)C1	1932056546	WAXCLGKUJIJVDA-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
Cn1cc([C@@H]2CS(=O)(=O)C[C@H]2Cl)nn1	1934429487	YTTVHKWMTYZIPS-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CCl)[C@H]1COCCO1	1937180143	DHEVLZZPNYODOT-DJLDLDEBSA-N	249.694	-0.228	50	10	BBGE	
CC(C)N(CCOCC(=O)NN)CCN(C)C	1941771909	BCIZDDZSYLEJFO-UHFFFAOYSA-N	246.355	-0.735	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@@H]3C2)CC1	1945883147	UUAOZKAXHWFXBZ-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
O=C(NCB(O)O)Nc1cnsc1	1954091047	LDPJCFZNCFIMLB-UHFFFAOYSA-N	201.016	-0.723	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](C)[C@@H](O)CO	1954239850	QIBZCNIUTLZQAN-XVMARJQXSA-N	209.673	-0.138	50	10	BBGE	
C[C@](O)(CCO)CNS(=O)(=O)CCl	1954725194	OWVULNABIIHFRK-LURJTMIESA-N	231.701	-0.765	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@H]2COC[C@@H]21	1955233738	UFDYFXZFPYGTCX-KVPKETBZSA-N	219.668	-0.168	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NNCCO	1956204607	BKVUJYYYYUXDBT-RITPCOANSA-N	208.208	-0.109	50	10	BBGE	
CN(CC(=O)NC1CC1)C[C@H](O)CCl	1956256233	LFJDHVWSMFFPGS-MRVPVSSYSA-N	220.700	-0.204	50	10	BBGE	
CCN(CCCCO)[C@H](C)CC(=O)NN	1958352138	BPOSBKNFRZGVKQ-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1961394480	SHXWCPQARDFEGI-KWKYVRJSSA-N	233.337	-0.792	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(C)(C#N)C1	1961495097	KLNJOWNZZNWHPC-SFYZADRCSA-N	210.281	-0.154	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H](C)C(=O)NN)[C@H]1C	1961536283	JGVVDRDRIRINBC-RNJXMRFFSA-N	213.281	-0.131	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([S@](C)=O)C1	1961564177	MTXBKBPWCIVNFV-AYVTZFPOSA-N	233.337	-0.792	50	10	BBGE	
CN(CCF)c1ncc(B(O)O)cc1Cl	1961717604	CTHNQPWHQABVBX-UHFFFAOYSA-N	232.451	-0.180	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(F)(CO)C1	1961737831	YROCAUSOVBWMOY-ZETCQYMHSA-N	219.260	-0.983	50	10	BBGE	
CCO[C@@H]1CC[C@@H](C(=O)NNC(N)=O)C1	1962375469	DSZXIPOOTPLJND-RNFRBKRXSA-N	215.253	-0.109	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1967587670	PHDOUUICZRWPJM-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
O=C1CN(C[C@H]2OCC[C@@H]2F)CC(=O)O1	1975256847	NROBSBHZABYBCF-NKWVEPMBSA-N	217.196	-0.501	50	10	BBGE	
CC[C@H](N=[S@@](C)(=O)N1CCCC1)C(=O)NN	1979784073	FOTPXACJCMUTBW-ZKANADHPSA-N	248.352	-0.137	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1	1980538558	VIMIHXCIZWRTHL-KUZPWIFLSA-N	227.264	-0.129	50	10	BBGE	
CCN(C)C[C@H]1CCN(CCC(=O)NN)C1	1980791532	RSTMFVPCZYMOES-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21	1980945101	ZYUNUGZPPBBPRF-FSDSQADBSA-N	233.023	-0.204	50	10	BBGE	
CC1CC(N(C)c2ncc(B(O)O)cn2)C1	1981414146	OFYJBIFEZVISKS-UHFFFAOYSA-N	221.069	-0.609	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCCO2)n1	1981444913	ABOFRRJHLFDGAX-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CCO[C@H]3C2)n1	1981469548	UUCVAAAMGFKXSL-RQJHMYQMSA-N	240.093	-0.952	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@@H]32)c(F)c1	1981472850	UHMAOUSXGPWAJN-RCOVLWMOSA-N	222.028	-0.501	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1981995020	CIABJXORDJUJJH-QUIJIENNSA-N	221.304	-0.047	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1981997615	VNQUGOAXZNUOQL-QEYWKRMJSA-N	225.292	-0.667	50	10	BBGE	
CN(C)CCOCc1ccc(B(O)O)cc1	1982825029	MGFPHXZJLHAYGI-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
CCC(CC)Cn1cccc(B(O)O)c1=O	1984101329	KQIJQCPEAYKRBM-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
NNC(=O)C1(COCCn2cccn2)CC1	1986446007	QWVBFXABJOULTH-UHFFFAOYSA-N	224.264	-0.330	50	10	BBGE	
CN(C[C@@H]1CCN1C)CC1(C(=O)NN)CC1	1987091950	JGDGBIQPKFGAPC-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NCC2(O)CC2)[nH]1	1987322216	JOFDCITXOSTWTO-YFKPBYRVSA-N	243.698	-0.057	50	10	BBGE	
NNC(=O)CCCN(CC1CC1)C1COC1	1990126722	BZNUTOYGUYQRDB-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C=CCN(CCOC)CC(=O)NNC(C)=O	1990774743	MWEMGUNPWHTLQH-UHFFFAOYSA-N	229.280	-0.712	50	10	BBGE	
O[C@H](CNC[C@@H]1C[C@H]1Cl)CN1CCOCC1	1991441955	JOPZFBFQUYNUHY-HBNTYKKESA-N	248.754	-0.104	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)C=CC(=O)Cl	1991654788	OIPAHLXIORMTRT-UHFFFAOYSA-N	244.638	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1O[C@H]2C=C[C@H]1CC2	1992326445	IMGTWUMQZSZCKD-XHNCKOQMSA-N	227.264	-0.674	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(C)OC[C@@H]1C(=O)O	2001308193	CQEBNURAWBTXMP-SSDOTTSWSA-N	245.279	-0.263	50	10	BBGE	
CC1(C)CO[C@H](CO)CN1CCCC(=O)NN	2002289319	DASKMNGKIOAEFA-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1c1ncon1	2004033173	RLRDPKYKDKAQKN-QMMMGPOBSA-N	239.279	-0.023	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnn(C)n1	2004801154	PKDBRUOSXNRNET-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
Cc1ncnc(N2CCC[C@H](C)C2)c1B(O)O	2004973716	YYJKICJOGMYROG-QMMMGPOBSA-N	235.096	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CCC[C@H]32)n1	2005014958	UAUTUQGTJMMNLK-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
C[C@@H](CN(C)C[C@@]1(C)COCCO1)C(=O)NN	2005977844	MRECAHBUNVMYLS-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
CN(Cc1occc1C(=O)NN)C1(CO)CC1	2012613254	OISBDJCQVHQSAY-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CO[C@@H]1CC[C@H](Oc2cncc(B(O)O)c2)C1	2013957232	HKFMLJMJSSSBMK-ZJUUUORDSA-N	237.064	-0.292	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCNC(=O)C1(C)C	2018185779	SNMQANPQNWLZRF-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCN1C	2019210908	OYAREHQGYLXXHT-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1[C@H]2OCC[C@@H]21	2020069323	ZQDFXAUZMPUCAL-QQRDMOCMSA-N	237.064	-0.762	50	10	BBGE	
O=C(CC[C@H]1CCCCO1)NCC#CB(O)O	2021156946	FJXAGWFCLMRGHJ-SNVBAGLBSA-N	239.080	-0.533	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)CCOCC(=O)NN	2026299360	WPXYABOZNMDRQZ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cc1ccnc(N2CCOC3(CC3)C2)c1B(O)O	2052474097	YRUYVIPKONETAO-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1Cc2ccc(B(O)O)cc2C1	2055633853	WBGBKCBKOBENBF-GHMZBOCLSA-N	249.050	-0.433	50	10	BBGE	
N#Cc1c(C=O)cc(OC(F)F)cc1B(O)O	2060268541	QHHGKBYUXGBMFV-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccc(=O)oc1	2076085050	PNWVMCYUOFTEQQ-SECBINFHSA-N	249.031	-0.530	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	2079518421	HVIKOBNATOFBFD-ZJUUUORDSA-N	248.091	-0.008	50	10	BBGE	
C[C@@H](OC[C@H]1CCN(C)C1)C(=O)NN	2209887150	SKAGMJRDVYTKJE-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C1(CN2CC([N+](=O)[O-])C2)CCC1	2212247787	JGTTXHIFDPFKAF-UHFFFAOYSA-N	228.252	-0.893	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC23CC3)c1F	2212603138	CNFHEGAYFATPRH-SSDOTTSWSA-N	222.028	-0.135	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2212606395	SVABUZXWNOXIRP-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2215002233	XWXOFBIVHKTHDF-SVRRBLITSA-N	235.052	-0.859	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCC(F)(F)C1	2216400971	JVTGGKKCSWCWCK-LURJTMIESA-N	244.006	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCCC[C@@]2(CO)C1	2216722565	KDKAVALGEREOAX-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(-n2ccnc2C#N)cc1B(O)O	2217164956	VPKMISFFGOPTRM-UHFFFAOYSA-N	228.020	-0.873	50	10	BBGE	
OB(O)c1ccc(OCC[C@H]2CCCN2)nc1	2217179328	JKDHXSLOOYUWET-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
C[C@](CO)(Nc1ncccc1B(O)O)C1CC1	2217179818	OSTSCQVOIKRNGP-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
COC[C@@H](CF)Nc1nccc(B(O)O)c1F	2217181420	PSSDCWXFLIDOCV-ZCFIWIBFSA-N	246.022	-0.703	50	10	BBGE	
CO[C@H]1C=CCN(c2ccc(B(O)O)cn2)C1	2217184185	QQKBEQPOYKQLGS-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCC[C@H]2O)nc1	2217185522	YOKGLVHEYMCYAO-VHSXEESVSA-N	236.080	-0.523	50	10	BBGE	
CC[C@H](N)C[C@H](C)Oc1cc(B(O)O)ccn1	2217192747	JFBLUKILGGLXMH-WPRPVWTQSA-N	238.096	-0.344	50	10	BBGE	
CC[C@@H](C)NCCOc1ccc(B(O)O)cn1	2217193092	RPPUSUAEAHVLPB-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
CCC[C@H](CNc1ncc(B(O)O)cn1)OC	2217198064	VVKUDDCSHFDEQT-SECBINFHSA-N	239.084	-0.617	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@]12CC2(F)F	2217200449	TXMDSZWABFIBAN-CBAPKCEASA-N	240.018	-0.029	50	10	BBGE	
C[C@H](O)C(C)(C)CNc1ncccc1B(O)O	2217201637	FBQQTRNLGINFFH-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2217203014	OILXYORLWAOCSN-UWVGGRQHSA-N	235.096	-0.734	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2220070675	FPZFNFWXQUMVAP-MFKMUULPSA-N	249.119	-0.288	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc(B(O)O)ccn1	2223640229	VOBYDAIAGNWUQM-JGPRNRPPSA-N	247.107	-0.780	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCCNC[C@@H]2C3)nc1	2223647667	ZMQREOYHZQQFIG-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCCCNC1	2223676392	AMAHCEPSEAKATR-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CC(C)[S@@](=O)NCCC#CB(O)O	2241901877	FXVOPQWDLWHUOL-CYBMUJFWSA-N	203.072	-0.946	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	2243064560	VBFBARGWARGKCF-ZETCQYMHSA-N	227.264	-0.854	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1CCCSC1	2243350308	ZBBAFDOASDNMGI-IUCAKERBSA-N	241.121	-0.350	50	10	BBGE	
CN(CC1(CCF)CC1)C(=O)C#CB(O)O	2243356611	KNLQDCFKLBSYDM-UHFFFAOYSA-N	227.044	-0.400	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1NC(=O)C#CB(O)O	2243362895	XXEFBNWJBHGCON-ZYUZMQFOSA-N	221.065	-0.447	50	10	BBGE	
Nc1ncccc1NC(=O)C1(B(O)O)CC1	2243365286	KQAQZCVDYRJBQK-UHFFFAOYSA-N	221.025	-0.391	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1sncc1B(O)O	2243377721	FYMVEFWAXOQVHK-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]2(CCO2)C1	2243382017	KIPFJZXSWXFZDO-WEDXCCLWSA-N	225.053	-0.759	50	10	BBGE	
C[C@@]1(C(F)F)CCN(C(=O)C#CB(O)O)C1	2243400522	COQRVEAPXUQAAF-SECBINFHSA-N	231.007	-0.495	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccccc1O	2243400918	JSYAPKOCXRQHQR-UHFFFAOYSA-N	219.005	-0.976	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2243411462	UKIHDWJXIJXCGQ-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243420765	YZDRHQDDXJJPOQ-CIUDSAMLSA-N	225.053	-0.737	50	10	BBGE	
CC(C)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243426639	JJXLKBKMQTUIOC-ACZMJKKPSA-N	229.041	-0.925	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1cocc1B(O)O	2244214554	UOEGXWGWBFCELO-XNCJUZBTSA-N	243.455	-0.684	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1CC	2245122138	FMJVKQYLHMORCC-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccoc1B(O)O	2247739784	BKMGABLUTZWITA-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ccoc1B(O)O	2247740487	LHTWZPLNKXJDNZ-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CCCCN(C(=O)C#CB(O)O)[C@H]1CCOC1	2247744793	YFXLXKDOUKYTNC-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
C#CC1CC(NC(=O)c2csc(B(O)O)c2)C1	2247747924	VDHISKLORKQBKD-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
Cc1ccc(C(=O)NC2CCC2)cc1B(O)O	2247751813	CMAHPIUWFGFZCE-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C	2247761453	VJSQYEURXWZEGG-IONNQARKSA-N	236.080	-0.674	50	10	BBGE	
C[C@H]1CO[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787236	MJKDLIUBKIYOKU-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790652	IMYGUGWHBOXQME-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@H]1N	2247792052	QMPMFMZYMQZGJH-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CCO1	2247797163	GSMBHLSDNLNARJ-WOOKNIGNSA-N	241.096	-0.077	50	10	BBGE	
C=C[C@@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247800520	PUVQDGSMWRUCEV-FXPVBKGRSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C#CB(O)O)[C@@H]1CCO	2247851123	WABJLLMJLVZMNN-NXEZZACHSA-N	239.080	-0.989	50	10	BBGE	
O=C(N[C@@]12CCOC[C@@H]1C2)C1(B(O)O)CCC1	2247877695	IYOBIPCUYNATDC-GZMMTYOYSA-N	239.080	-0.321	50	10	BBGE	
O=C(NCC[C@@H]1CCCNC1)[C@H]1C[C@@H]1B(O)O	2247898366	CVYCFISZIFNGLU-GUBZILKMSA-N	240.112	-0.645	50	10	BBGE	
NNC(=O)c1cc(CO[C@H]2C=CCOC2)on1	2249279081	GENPURYNMBUQKM-ZETCQYMHSA-N	239.231	-0.250	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2250002327	JSJVPANZVSLZCR-JGVFFNPUSA-N	245.034	-0.201	50	10	BBGE	
O=C(C[C@@H]1C[C@@H]1C1CC1)NCCC#CB(O)O	2250002451	LJPILHHOUVWJJH-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccncc1B(O)O	2255459277	DQBZXZJTRLASFM-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@H]2CCCCCC[C@H]21	2255470059	XUOLXZVLVCWQIU-VHSXEESVSA-N	249.075	-0.290	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CCC1	2255472808	IGTVSLXCYKUTFL-SECBINFHSA-N	247.059	-0.509	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2ccnc2)C1)C1(B(O)O)CC1	2255491159	SKJASFWULZGUFW-KYZUINATSA-N	249.079	-0.290	50	10	BBGE	
C#CCN(CC)C(=O)c1cccc(C)c1B(O)O	2255509657	NKSUJWQWQHMJCD-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H](C)CC#N)c1	2255512167	VWHBIQQRQAWEEK-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
CC(C)(NC(=O)c1ncccc1B(O)O)C1CC1	2255516740	PLLLGFMPTDCJEN-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2c[nH]nc2B(O)O)C1	2255554799	RIKKVHMXYQZKAI-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
CN1Cc2ccc(NC(=O)C#CB(O)O)cc2C1	2255673657	RSZZUGNCAZMBKA-UHFFFAOYSA-N	244.059	-0.414	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C(=O)[C@H]2CCC[C@@H]21	2255716136	APTRRTRLHBYQBF-XPUUQOCRSA-N	249.031	-0.890	50	10	BBGE	
N#Cc1cc(C(=O)NCCC#CB(O)O)ccn1	2258953747	FPEJSGZIPKAXOW-UHFFFAOYSA-N	243.031	-0.911	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298374855	QAWOELDDXJPFSG-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CNCC2(CC2)C1)[C@H]1C[C@H]1B(O)O	2298375049	WMMFWEWTLSWWTR-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298376210	NFRJFOBNNXPYDN-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298376993	AOSVZGKKIQHMKY-BGZDPUMWSA-N	239.080	-0.731	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)C2(CC2)C1	2302059000	HTHIKNNBWGGLLH-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1B(O)O	2302191806	ZAVXMIMBEYNSHY-BQHMLIOBSA-N	239.080	-0.515	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	2302211367	MYKXSDZZCGWBPN-FXQIFTODSA-N	249.261	-0.279	50	10	BBGE	
CO[C@@H]1CNC[C@H](N2CCC(O)(C#N)CC2)C1	2304097839	AGIVMZNMDVSBSG-MNOVXSKESA-N	239.319	-0.286	50	10	BBGE	
CCC(=O)N(C)C1CN(C[C@@H](C)C(=O)NN)C1	2307296290	GPDRUQBXAYVRIV-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@@H]3CC[C@H]2O3)c1	2309290317	ISNGCMAPRLEIFL-UBHAPETDSA-N	249.075	-0.292	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCOC2)cc1B(O)O	2317308875	NIFWBZCSWFSZAM-VIFPVBQESA-N	249.075	-0.373	50	10	BBGE	
C#CCN(CC#C)CC(=O)NNC(=O)C1CCC1	72906508	JVQXRKCLQYUSGW-UHFFFAOYSA-N	247.298	-0.498	50	10	BBGE	
C=C[C@@H](CCl)NC(=O)n1nc(C)n(N)c1=O	82309886	IVNSKGWQWUXYEW-LURJTMIESA-N	245.670	-0.582	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)CCOC	124258522	CNRPNKPRUBZXNI-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
CC#CCNC(=O)NNC(=O)CSC	136001867	SZSTVVSFJKIOGJ-UHFFFAOYSA-N	215.278	-0.297	50	10	BBGE	
C[C@H](C(=O)O)N1CCN(C(=O)NN(C)C)CC1	149069812	DKDOSGRNPFSKNY-MRVPVSSYSA-N	244.295	-0.737	50	10	BBGE	
CC(C)C[C@@H](NC(=S)[C@H](C)N)B(O)O	210105214	KGIJGDFACIZVGQ-NKWVEPMBSA-N	218.131	-0.323	50	10	BBGE	
C[C@@H](NC(=O)[C@H](N)C1CCCCC1)B(O)O	215097162	VLMDGYWBACIKHU-VXNVDRBHSA-N	228.101	-0.589	50	10	BBGE	
CS[C@@H](C)CCNC(=O)C(=O)NN	217323914	XHNWQQOWHHZDGC-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
NCCCC[C@@H](N)C(=O)NCCCl	238562404	MJAXXSRJOMHSPF-SSDOTTSWSA-N	207.705	-0.202	50	10	BBGE	
NNC(=O)NCc1ccc2c(c1)CC(=O)N2	258767605	NUJYFSSIONWEGD-UHFFFAOYSA-N	220.232	-0.146	50	10	BBGE	
N#CC1(c2ccc3c(c2B(O)O)OCO3)CC1	260810792	BXHLXMUIYMPNAK-UHFFFAOYSA-N	231.016	-0.350	50	10	BBGE	
O=C(CCCl)N1C[C@@H](CO)[C@@H](O)C1	316476998	JIVZQLJMSASYSW-BQBZGAKWSA-N	207.657	-0.573	50	10	BBGE	
C[C@H](CN1CCC[C@@]12CCOC2)C(=O)NN	381408333	SBPBDEFNYCWKSJ-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CC1CC(NNC(=O)[C@H]2COCCN2)C1	381553653	NTWGEOCVLGGEQL-AMDVSUOASA-N	213.281	-0.606	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	395106419	PWHGENLHFZGVNM-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)n1ccc(C(N)=O)n1	395571850	LVVNVZSSSBQHKG-SSDOTTSWSA-N	239.279	-0.441	50	10	BBGE	
CN(C)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	395799429	DWVNBLGQWAYVIO-VIFPVBQESA-N	228.340	-0.363	50	10	BBGE	
CCC(=O)c1ccc(CC(=O)O)cc1B(O)O	396133959	SVFFKUSQBSBDSC-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
CC(C)CC(=O)Nc1cccc(B(O)O)n1	405033200	ROPXVWKQUZZGTF-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](CO)C(C)(C)C	689786841	MRSWRCGSLUFLFS-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@H]3CC[C@H]2C3)c1	694542541	CINPGNISLVCZSY-LPEHRKFASA-N	220.081	-0.001	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCN(C)CC1	695085212	ANXJQMAPJIADBT-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCCl	696851239	GLHRXLUVYGUWLO-HTQZYQBOSA-N	241.740	-0.031	50	10	BBGE	
Cc1cn(Cc2cccc(C(=O)NN)n2)c(O)n1	699585351	MKQGBPAUPHEGOM-UHFFFAOYSA-N	247.258	-0.056	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1ccnc1[N+](=O)[O-]	702741464	ZDSUFSKLJQIDQC-NTSWFWBYSA-N	227.224	-0.022	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](CO)C1	708125451	YVATYGZTNNQALZ-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)c1cccc(CN2C(=O)COC2=O)c1	709023705	PLMRSZWGAMZICZ-UHFFFAOYSA-N	249.226	-0.231	50	10	BBGE	
C[C@H](CN1C[C@H](F)[C@H](F)C1)C(=O)NN	714559272	TZTWDLJTQMMMAN-QYNIQEEDSA-N	207.224	-0.396	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715416206	NUEBTSYRGFGXPN-DSYKOEDSSA-N	235.234	-0.812	50	10	BBGE	
C[C@H](CSc1nc(O)cc(O)n1)C(=O)NN	716516697	IUQQZIRAZDMYNZ-SCSAIBSYSA-N	244.276	-0.394	50	10	BBGE	
OB(O)c1cc(F)ccc1OCC[C@@H]1CO1	718545582	YBKIKFJCLPEDOP-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2CC[C@H](O)[C@H]1C2	721714198	FEHRPDKWLLZNOA-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
CNC(=O)NNC(=O)C1CN(CC(F)F)C1	773847563	MEODDHHRGFRHFD-UHFFFAOYSA-N	236.222	-0.857	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1C[C@H]1C1CCCC1	846636185	DCWLKAVQMMOAPQ-IUCAKERBSA-N	226.276	-0.048	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCCN(C)C1=O	848378453	ROQAJAMZSKICIW-SECBINFHSA-N	243.307	-0.536	50	10	BBGE	
CN1C(=O)N[C@@H]2CNC[C@@H](Br)[C@@H]21	952958907	NMDUHXFKWHGWHV-PBXRRBTRSA-N	234.097	-0.255	50	10	BBGE	
Nc1ccnn1CC(=O)NNC(=O)C1CC1	1135309176	WZBOXRYHRWVNTH-UHFFFAOYSA-N	223.236	-0.977	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@H]1COCCO1	1136333684	LUDOAZWNMCVCJA-TTZKWOQHSA-N	240.259	-0.038	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)c1ncon1	1179588546	MIQDJGZOEZMMEK-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNC(=O)NC1CC1	1442295633	QXULRXUXXWFABG-ZCFIWIBFSA-N	241.247	-0.568	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cccnc1	1463142299	DRBNFFPRXYUNTL-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)c1ccncc1	1538705049	ACGFVYLEYAKDBE-UHFFFAOYSA-N	237.215	-0.594	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CCN1CC	1543985698	NAHXJRVQCCXFPL-ZETCQYMHSA-N	214.269	-0.569	50	10	BBGE	
CCCNC(=O)NNC(=O)Cc1cncn1C	1544221497	NGFYEIGTVRJHEM-UHFFFAOYSA-N	239.279	-0.297	50	10	BBGE	
Cc1cc(CCC(=O)NNC(=O)CO)no1	1611094980	UZSYAFGIURHLDL-UHFFFAOYSA-N	227.220	-0.945	50	10	BBGE	
CC(=O)NNC(=O)c1cnc(C2CC2)nc1O	1624652141	TYJSCKNXYJPRDQ-UHFFFAOYSA-N	236.231	-0.160	50	10	BBGE	
Cn1cc(C(=O)NNc2ccccn2)n(C)c1=O	1633241041	LDKLQEAUOUDZQT-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)c1ncccn1	1643045832	IJMBXZHJUDPZPM-SSDOTTSWSA-N	238.247	-0.746	50	10	BBGE	
NCCN(CCN)C[C@@H]1C[C@@H]1Br	1877445387	VMWSSFYOZBDSRB-YUMQZZPRSA-N	236.157	-0.011	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](O)[C@H](O)C1	1882906367	GYSVYTRSQPTWRO-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCF)CCF	1888845488	KPGAUAOPOSJKFS-SSDOTTSWSA-N	209.240	-0.004	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnns2)C1	1891560395	RXJRPSGWHALJOH-LURJTMIESA-N	213.071	-0.413	50	10	BBGE	
OB(O)c1csc(CN2CCSC2)c1	1892119380	ILJKRPWQNWQEKK-UHFFFAOYSA-N	229.135	-0.066	50	10	BBGE	
COCCNCC(=O)NC[C@H]1C[C@@H]1Cl	1893107020	JSDUVIACOCYGIV-SFYZADRCSA-N	220.700	-0.034	50	10	BBGE	
COC(=O)c1cc([C@@H](N)[C@@H](O)C#N)n(C)n1	1894492749	RFJPGEZKAFMEQA-JGVFFNPUSA-N	224.220	-0.909	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@H](O)CN2)CC1	1894865421	GSNRKOQHLSKXHI-VHSXEESVSA-N	221.260	-0.609	50	10	BBGE	
C[C@]1(O)CCN(C[C@H](O)CCl)C[C@H]1O	1894990906	HRPCTTMWSYXXEK-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@]1(C)COCCO1	1900892887	NAXPRCLUFTYBDN-SCZZXKLOSA-N	232.280	-0.423	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@]1(C)CCN1	1901376534	BUTHGTGXJVFWKD-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1(CO)CCCC1	1906953893	ZRHVRPVPFORJLR-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCC12CC2	1915586661	ACXCSDOXCYGKPS-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CN1CCCc2ccc(NC(=O)C(=O)NN)cc21	1916101507	NTAOHOWONKKINJ-UHFFFAOYSA-N	248.286	-0.003	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@H](CC(C)C)C(=O)NN	1916202872	SNQAQJWKSBVESO-RKDXNWHRSA-N	244.339	-0.543	50	10	BBGE	
COC[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NN)C1	1918717251	IPYJRTHROPKFOZ-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)CN1CCC2(CCCO2)CC1	1928183207	PPKRZUPJHQBUMX-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
C[C@@]1(OC(F)(F)C(=O)NN)CCOC1	1928535466	XQMLAFYEAOIXDS-ZCFIWIBFSA-N	210.180	-0.235	50	10	BBGE	
O=C(O)[C@H]1CC[C@H](C(=O)NNCCO)C1	1929837816	FFJUIOCILOLLSV-BQBZGAKWSA-N	216.237	-0.900	50	10	BBGE	
CN(CC(CO)CO)C(=O)CCCl	1930664681	BYKJKNBVXJNREU-UHFFFAOYSA-N	209.673	-0.326	50	10	BBGE	
CN1C[C@@H](c2nnnn2C)[C@@H](Cl)C1	1935168587	BHTVELBTZCCPHP-RITPCOANSA-N	201.661	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@@H](F)C1	1936093414	DQLVJUYUZBFDCB-HXFLIBJXSA-N	231.271	-0.983	50	10	BBGE	
C[C@H]1C[C@H](C)CN(CCOCC(=O)NN)C1	1936537846	VNXAHLQIWNODRQ-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1941085270	CDRCKSVGJYOZLJ-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(n2ccnc2)C1	1941087094	VJAGWFXDXLFSEE-PSASIEDQSA-N	235.291	-0.634	50	10	BBGE	
Cc1cc2n(n1)CCN([C@@H](C)CC(=O)NN)C2	1942326161	QESHHIPVAGDIFJ-VIFPVBQESA-N	237.307	-0.224	50	10	BBGE	
CCC[C@@]1(O)CCN(CCOCC(=O)NN)C1	1945564119	MTGINJALGMYMKS-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
C[C@@H]1C(=O)N(CC2(C(=O)NN)CC2)C(=O)[C@H]1C	1945884273	NUCNBMATWVOSRQ-BQBZGAKWSA-N	239.275	-0.603	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@H]2COC[C@H]21	1954368107	ZKLGLHAXEBKACL-XVMARJQXSA-N	205.641	-0.557	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(C(N)=O)C1	1954508417	WOGSDEQSXQVXHO-LURJTMIESA-N	204.657	-0.053	50	10	BBGE	
CC1(C)CO[C@H](C(=O)NNCCO)C1	1954938616	JWDJRPLECHORBD-ZETCQYMHSA-N	202.254	-0.585	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](CC)C(=O)NN	1955926272	ISBGNYAHQJTGTE-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CC(C)(F)[C@](C)(F)C(=O)NCB(O)O	1956697129	WGVBBZDIUCLHON-SSDOTTSWSA-N	209.001	-0.409	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	1961396839	OXQCZWLAUYHQHD-FSDSQADBSA-N	220.219	-0.109	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1nc(B(O)O)cs1	1961717987	ITTDCKSYJDBMBB-NTSWFWBYSA-N	230.073	-0.240	50	10	BBGE	
C#CC#CCN=c1[nH]c(CCl)nc(=N)[nH]1	1962068192	ZJRXRXAIZMZZIC-UHFFFAOYSA-N	221.651	-0.507	50	10	BBGE	
CC(=O)NNS(=O)(=O)CC1(C#N)CCC1	1962351065	MHKDRNYAIGFGLD-UHFFFAOYSA-N	231.277	-0.349	50	10	BBGE	
N#CC1CN(CCC(F)(F)C(=O)NN)C1	1975123095	UJXFBJRBWVSSOK-UHFFFAOYSA-N	218.207	-0.543	50	10	BBGE	
NC(=S)NNC(=O)c1ccn2ccnc2c1	1978921581	CUBCATHBKREXAX-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
C=C(CCl)CN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1	1979507084	CASOAGJDLGGLQF-HTQZYQBOSA-N	243.694	-0.920	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@](=O)[C@@H](C)C1	1981188907	SDLOMOPPRPBAJM-LADDVGSOSA-N	247.364	-0.546	50	10	BBGE	
CC(C)=CCCn1cccc(B(O)O)c1=O	1984100824	BPZGHEICBHAUAB-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
CO[C@@H](C)COCc1cc(C(=O)NN)no1	1986051644	HRMWUCPOLTVPQZ-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
Cn1nnc(CN[C@@H]2CCOC[C@H]2CCl)n1	1989876164	HQYIRXJQOLEOAI-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
NN=c1cnc(C(=O)NC[C@H]2C[C@H]2Cl)c[nH]1	1991432919	NMVBDBDOAFCMGK-PHDIDXHHSA-N	241.682	-0.459	50	10	BBGE	
C[C@H](O)[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648887	UVTIJNFUKNUUFH-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(CCC2)C1	1992152769	IJWBKWBRORFTFJ-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@]1(O)CCCNC1	1993452614	NAEGSKGXZAKJLG-SNVBAGLBSA-N	246.694	-0.461	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1[C@H]2CO	1994019833	KBLWPMGGQVLIIR-UTLUCORTSA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNC(=O)CN1CCNC[C@H]1C(C)C	1995745730	BIQRYYVAFTXHCU-JTQLQIEISA-N	242.323	-0.917	50	10	BBGE	
CC1(C)CC(=O)N1C[C@H]1CC[C@H](C(=O)NN)O1	1996581313	BKWCUKPCXLRYLF-HTQZYQBOSA-N	241.291	-0.465	50	10	BBGE	
CO[C@H](CNC(=O)C(=O)NN)c1ccccc1	1997774574	WDPDRRHRFMSRIP-SECBINFHSA-N	237.259	-0.520	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC=C[C@H](O)C1	2000933672	IAXFUAPULJYZAW-QMMMGPOBSA-N	237.259	-0.384	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@H](C)CO1	2004936089	UUPHDFPTSKXAHI-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1[C@H]2CCC[C@H]21	2008844375	MUPDCRXYSUBQLK-JGPRNRPPSA-N	233.076	-0.426	50	10	BBGE	
O=C1CN([C@H]2CO[C@]3(CCOC3)C2)CC(=O)O1	2009151033	UCEUDZOSJUVSQD-LDYMZIIASA-N	241.243	-0.680	50	10	BBGE	
NNC(=O)C(F)(F)CCOCCn1ccnc1	2012464981	DSKPCQWKUFNRTE-UHFFFAOYSA-N	248.233	-0.085	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CC[C@H]2C1	2014770440	VVBBQVALQHJQNN-ZJUUUORDSA-N	232.092	-0.002	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2CCC=C2B(O)O)cn1	2020056266	JGLQGMFGTLIJNG-VIFPVBQESA-N	235.052	-0.749	50	10	BBGE	
COC[C@@H](C)CC(=O)N[C@@H]1CCC=C1B(O)O	2020067474	HXUPHRDDGPYZIP-WCBMZHEXSA-N	241.096	-0.124	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2021106519	HBFGOXULEMNYGG-GJMOJQLCSA-N	243.018	-0.591	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)CC(=O)NNC(C)=O	2023744933	HUGFPHIWYIEBRN-LLVKDONJSA-N	237.303	-0.113	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)c1cnn(C)c1	2051204128	NSMUFDHDCMELEK-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
CN(Cc1ncccn1)c1ccncc1B(O)O	2052490326	BNFQBNUSICKABS-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2OCC[C@@H]2C1	2052491091	IQFPGFAZBAXNGX-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
CCN(CC1CN(C)C1)c1ccncc1B(O)O	2052494752	QLDWWXDUIARUQN-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(OC)c1B(O)O	2060014021	CXHFWHHQHDUOSU-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@]23CCOC3)nc1	2077644703	DHVXPTQWCPILEH-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1cccc(B(O)O)c1	2079009365	QWXNKAIXDJIKSW-QWRGUYRKSA-N	245.087	-0.105	50	10	BBGE	
CN(CCOCC(=O)NN)C1C[C@H]2C[C@@H]2C1	2212279600	GGXUACFLXFQDNK-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](Nc1nccc(B(O)O)c1F)C(F)F	2212606347	SFJQCLLJNYTSMS-SCSAIBSYSA-N	233.986	-0.034	50	10	BBGE	
CC(C)(F)CCN=c1ncc(B(O)O)c[nH]1	2212612532	LOMFEPZUOVQDMS-UHFFFAOYSA-N	227.048	-0.872	50	10	BBGE	
OB(O)c1cccnc1NCc1cnns1	2212614612	FONUVSGRRLDENP-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
OB(O)c1cnc(NC2[C@H]3CCC[C@H]23)nc1	2212615883	WDJZIOPIVAUPSS-YUMQZZPRSA-N	219.053	-0.633	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccc(B(O)O)s2)c1	2214520475	NPFQHNLANNVMSA-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CC[C@H]1N	2214593756	XJEJHZGOAMEXMM-NEPJUHHUSA-N	234.108	-0.712	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(CCOCC(=O)NN)C1	2214802588	RFSUPRCAEBLXRG-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1CC[C@H]1CN(C)c1ncc(B(O)O)cn1	2215007247	YDKNVGNUEZSRCL-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCCC[C@@H](O)C1	2215770389	BKTYVGPDUQUDLO-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)CN1	2217189116	YCWZJXILVCFUGV-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
CN(CCCCCN)c1cc(B(O)O)ccn1	2217195745	NACDZCQCARCVNF-UHFFFAOYSA-N	237.112	-0.673	50	10	BBGE	
N#C[C@H]1CCCN(c2ncccc2B(O)O)C1	2217198207	YBBAUIOWBQTCIO-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1Nc1cc(B(O)O)ccn1	2217203013	OILXYORLWAOCSN-NXEZZACHSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1cnc(NCC2[C@@H]3CCC[C@@H]23)nc1	2217203280	SBZZLZYTWUUDMI-RKDXNWHRSA-N	233.080	-0.386	50	10	BBGE	
CC(C)[C@](C)(CO)Nc1ccc(B(O)O)cn1	2217203341	SWKFJHHXWFPGNU-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCCN2)cc1B(O)O	2223645539	AOUQAVIALDNERU-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
CCC[C@H]1CNCCN1c1cc(B(O)O)ccn1	2223855602	ZAZLAFGNXPLPKA-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
C[C@H](F)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2241481939	XLEMRGIOSVOUMN-ACZMJKKPSA-N	203.022	-0.286	50	10	BBGE	
OB(O)c1ccc(SC[C@H]2CCCN2)nc1	2242853277	DELSYBZMIQNCEW-SECBINFHSA-N	238.121	-0.395	50	10	BBGE	
CC(NC(=O)C#CB(O)O)(C1CC1)C1CC1	2243356951	PASDGIIXCICGEV-UHFFFAOYSA-N	221.065	-0.303	50	10	BBGE	
CC(F)(F)CNC(=O)c1occc1B(O)O	2243363945	OUZYLRYZDUQUGK-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2243392808	XGIUNDLLZOCZSX-XSPKLOCKSA-N	226.085	-0.894	50	10	BBGE	
CC[S@](=O)CCNC(=O)C1CC(B(O)O)C1	2243396902	SIZLADRWYWJKNW-NUYYARQXSA-N	247.125	-0.876	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cscc1B(O)O	2243399303	YPKDLCOIGBNZCT-IMTBSYHQSA-N	239.105	-0.044	50	10	BBGE	
CS[C@@H]1CCCCN(C(=O)C#CB(O)O)C1	2243400165	WRLYVLDSYKUCGF-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243401832	XKFBDJGXZNKWGE-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243410562	DHYPAJHXJCDANV-NKWVEPMBSA-N	225.053	-0.223	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CCCO2)s1	2243414110	UARDVQWEZZMCIE-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
CON(C)C(=O)c1cccc(Cl)c1B(O)O	2243508743	HYFOTFALSYKLBN-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
CN(CCC(=O)O)C(=O)C1(B(O)O)CCC1	2243752130	FUSTVOWEQFVDBX-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
C[C@H](CC(=O)O)NC(=O)C1CC(B(O)O)C1	2243752990	PDEUVAOJLOFFMG-GRQBKTHUSA-N	229.041	-0.781	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)co1	2244212670	TXXLEXRIGKMMOW-HTRCEHHLSA-N	223.037	-0.560	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cocc1B(O)O	2244214646	VVVQRXZWEQEFHC-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244302644	RGDRJFKOHLZOAZ-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccncc1B(O)O	2247722145	KIXVWXALXXIEJF-UHFFFAOYSA-N	244.006	-0.902	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1coc(B(O)O)c1	2247733744	PMDKSJIDFIVUMA-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CCCNC1	2247753850	AJSFRTZNMBLNAF-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1c[nH]nc1B(O)O	2247781091	IDWAIYWSEBNAFB-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
CC1(C)CCCN1C(=O)c1n[nH]cc1B(O)O	2247782126	QQMURYDPSHUUEV-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791855	PGEDAKPTCKEJHC-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
CN1CC[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796627	BHTALAOXXSFYOO-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2247796809	CYAGMYBYEUJIHY-IGORNWKESA-N	239.080	-0.610	50	10	BBGE	
C=C[C@]1(C)COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247799547	FGVUOEXSNVVQNB-ATZCPNFKSA-N	239.080	-0.347	50	10	BBGE	
CN1CC2(CCN(C(=O)[C@H]3C[C@H]3B(O)O)C2)C1	2247809597	ZWQOXFCJLWUIIV-DTWKUNHWSA-N	238.096	-0.987	50	10	BBGE	
CN(CCC(F)F)C(=O)c1ccc(B(O)O)o1	2247842438	UUPPDOURQNUFHT-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)O2)C1(B(O)O)CC1	2247871765	HKOKKVXSLUQXAL-AYMMMOKOSA-N	239.080	-0.180	50	10	BBGE	
O=C(N[C@@H]1CCN2CC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2247886959	IIEPBFBCGTUPAY-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CNC1	2247896859	LDPWPMAYYSENDD-KYZUINATSA-N	240.112	-0.645	50	10	BBGE	
CN(Cc1cnco1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897409	SAOJDCMMADTWLB-ZKCHVHJHSA-N	238.052	-0.114	50	10	BBGE	
CN(CC1(O)CCCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897525	UIYNOUIECAFALI-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CC[C@@](C)(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248577428	MUDRNMVBGARSEV-HNQUHTCLSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248577725	OSMSQUXXIHXKRQ-BWZBUEFSSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1ncccc1B(O)O	2248693184	PABQNTDFBALPEU-DTWKUNHWSA-N	232.092	-0.004	50	10	BBGE	
O=C(NC1CC(CF)C1)c1cc(B(O)O)co1	2249420307	RXYHLCOMXNCCEE-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccncc1B(O)O	2255443480	AWPOAUQSRVPMAU-UHFFFAOYSA-N	244.059	-0.977	50	10	BBGE	
O=C(NCC=CC1CC1)c1ccncc1B(O)O	2255450840	ZXSSCMNPIRRWDX-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ccncc2B(O)O)C1	2255454249	VVMBTCUADNBCDX-RKDXNWHRSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2255475136	WIYGIQRVRLZADR-LLVKDONJSA-N	248.091	-0.269	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2255491470	XWRWMQVZRIIUGA-SNVBAGLBSA-N	249.075	-0.004	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(B(O)O)c1F	2255502646	HRWYBSOPGMCAKD-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
CC1(C)CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255520761	OBPZAUGMVSMRJQ-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C=C1CON(C(=O)Nc2cccc(B(O)O)c2)C1	2255911483	SSCZNGQSPDJSAV-UHFFFAOYSA-N	248.047	-0.298	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(B(O)O)co1	2258122804	HGXZFUXFAYDJPA-VHSXEESVSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc(B(O)O)co1	2258124073	XJKTYHLQOAAIAM-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258135022	CQILVZGSYNLMLZ-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2COCC[C@@H]21	2298167934	IRSFCFWPKGDDPH-VLEAKVRGSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371054	XMYMQXUNLYTSQV-SGIHWFKDSA-N	241.096	-0.674	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298371639	QQFYTITZUJAWIC-HKBCETJISA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298376766	NIBSGWZGZUBGSY-DJLDLDEBSA-N	241.096	-0.077	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377179	HGZAGXFAMMQQSO-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@H]1CNCC2(CC2)C1)[C@@H]1C[C@H]1B(O)O	2298377580	WMMFWEWTLSWWTR-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
CC(C)[C@@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463581	MXHLTALLAFNELH-BRDIYROLSA-N	243.068	-0.535	50	10	BBGE	
Cc1cncc(CCN2CC[C@@H](B(O)O)C2)n1	2303122921	GLPMHPBYDDCBQL-SNVBAGLBSA-N	235.096	-0.124	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](CN(C)C(=O)C(=O)NN)(C2)O1	2303282303	CYFZMEPXQPKQES-DKCNOQQISA-N	241.291	-0.608	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)ncc1B(O)O	2309544234	VYKOQEYVIOBNCQ-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(c1cc(B(O)O)ccn1)C2	2317403333	NHQWQWYTWGOKGG-HLUHBDAQSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3C[C@H]2CN3)cc1B(O)O	2318486287	XBXHRPNGDJKNOT-ATZCPNFKSA-N	247.107	-0.768	50	10	BBGE	
C[C@@H](CC(=O)NN)NCc1ccccn1	58839399	NSYPZPJHTMSCKL-QMMMGPOBSA-N	208.265	-0.060	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)CC1	58847150	ZQRHRNSGBKLDRJ-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
C[C@@H](CN1CCC(C)(O)CC1)C(=O)NN	88023272	SSVYIIBYRNRWFE-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O=C1O[C@H]2[C@@H]3O[C@H]([C@@H](C(=O)O)[C@H]13)[C@H]2Cl	105302536	SIIMPOCAYCQRBK-NCGNNJKGSA-N	218.592	-0.383	50	10	BBGE	
C[C@@H]1CC(C=O)=C2NC=C(C(=O)O)C(=O)N2C1	105637425	LIAFVEIOBJFAME-ZCFIWIBFSA-N	236.227	-0.163	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@@H](O)C1	110593730	MPTFWGSFGHQNJB-SECBINFHSA-N	239.275	-0.160	50	10	BBGE	
CC[C@H](Oc1ccccc1C(N)=O)C(=O)NN	111890374	CZXGUSWTZPUAAY-QMMMGPOBSA-N	237.259	-0.067	50	10	BBGE	
Cc1c(C)c(=O)n(C[C@H](Cl)C(=O)O)[nH]c1=O	132866967	XPRDOVOVWKMCLA-LURJTMIESA-N	246.650	-0.155	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)OC(C)(C)C1	164358138	MDAMDOPXTAUWBF-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
COCCC(=O)NNC(=O)Nc1cnccn1	169848435	XQNAJXVXKDWEDQ-UHFFFAOYSA-N	239.235	-0.334	50	10	BBGE	
OB(O)c1cc(F)ccc1CO[C@@H]1CCOC1	203528041	NBJMILAYBWTEHV-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2C(=O)CC[C@H]2C1	228064325	PTEYOVXYCGAMDA-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1c(C2(O)CC2)ccc2c1OCO2	258402298	KQVGNZDUIAECMJ-UHFFFAOYSA-N	222.005	-0.924	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)C2CC2)cnn1	276105007	SPYPMBINFMWGHY-UHFFFAOYSA-N	220.232	-0.044	50	10	BBGE	
O[C@H]1[C@@H](CF)O[C@@H](O)[C@@H](O)[C@H]1Cl	306196933	RJDGZORNPYKEPA-QBFJYBIGSA-N	200.593	-0.998	50	10	BBGE	
O=C1C[C@H]2O[C@H]1[C@@H](Br)[C@H]2O	306327689	NCKMEAMUSJYNMT-DPYQTVNSSA-N	207.023	-0.149	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCCS(N)(=O)=O	310534089	AGJHJPLJCVXILY-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H](O)CC1	378806982	XOKIOHRFJSYTGU-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C)CN(C)C[C@H](C)C(=O)NN	380115548	PIEYMJQCHAOBST-BDAKNGLRSA-N	217.313	-0.173	50	10	BBGE	
Cc1cc(N2CCN(C)CC2)ccc1B(O)O	382640444	NCOKSRBQFNZWLO-UHFFFAOYSA-N	234.108	-0.573	50	10	BBGE	
CC(=O)n1cnc2ccc(B(O)O)cc21	382743778	OAHVERVGARSYAS-UHFFFAOYSA-N	203.994	-0.624	50	10	BBGE	
COC(=O)[C@H]1SCCC1=NNC(N)=O	383977381	SZBJVNNNRYWTCH-YFKPBYRVSA-N	217.250	-0.311	50	10	BBGE	
Cc1oc(CN2CC(C)(O)C2)cc1C(=O)NN	384037677	INKVSLUDGLVNEH-UHFFFAOYSA-N	239.275	-0.242	50	10	BBGE	
Nc1cccc2c(B(O)O)c(CO)sc12	396244055	HQVJTJHOMFIYAF-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1cc(B(O)O)c2cc(CO)sc2c1	396336522	MNGOBWUHEAWLOH-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CON(C)C(=O)CNC(=O)[C@H](C)CCl	397531988	NCXUJTZVTBCLAG-ZCFIWIBFSA-N	222.672	-0.003	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)CC[C@H]2C1	398836685	JAFFAUDTUMHYBM-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398883174	XSYLVMXYLXVRPL-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](C)CN(C)C(=O)C(=O)NN	399577472	GWLSJNMYQXNFFS-ZETCQYMHSA-N	201.270	-0.273	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cncs1	405032282	OYNBLETWJZPISH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccoc1	405044227	YEGVHNUZUVIHFE-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CCCC[S@](=O)CC(=O)NNC(C)=O	526868784	XFLUHHQIOIKOMT-AWEZNQCLSA-N	220.294	-0.298	50	10	BBGE	
Cc1cc(OCCN(C)C)c(C)c(B(O)O)c1	686546466	LFVKTMUXZQMJHH-UHFFFAOYSA-N	237.108	-0.076	50	10	BBGE	
COC[C@@](C)(CO)N(C)CCCCC(=O)NN	689810465	LDYHVEGNQBSEKQ-LLVKDONJSA-N	247.339	-0.524	50	10	BBGE	
N#Cc1ccc(F)cc1Cn1ccc(B(O)O)n1	694307059	FKSNGVIEOQQICX-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
COC[C@H](COc1ccc(B(O)O)cc1)OC	694714703	IABWFBHZPGSICC-LLVKDONJSA-N	240.064	-0.593	50	10	BBGE	
CN(C)c1ccc(C(=O)NNC(N)=O)cn1	700848223	LNVOTLXTEAUXNN-UHFFFAOYSA-N	223.236	-0.539	50	10	BBGE	
NC(=O)NNC(=O)c1cncc(Cl)n1	706043938	IMBHYVDAYHSZAJ-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@@H]1COC[C@H]1O	709226720	VGNDVOUNYPJSOO-XLPZGREQSA-N	209.673	-0.722	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CO	711583461	XNGSFVWGJYKIEJ-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCSc1nc(O)cc(O)n1	716516621	HLPMISQHMUTPHL-UHFFFAOYSA-N	230.249	-0.640	50	10	BBGE	
Cc1cn(C)nc1CN(C)[C@H](C)CC(=O)NN	723523421	HQGRKNDIUSTDLH-SECBINFHSA-N	239.323	-0.071	50	10	BBGE	
CN(C[C@@H]1[CH]SC=C1)C(=O)C(=O)NN	725539799	XZMDFJKWTDPGFM-ZCFIWIBFSA-N	214.270	-0.527	50	10	BBGE	
O=C(Cc1ccco1)NNC(=O)c1cnn[nH]1	765425965	FORYZNDOOUQWAL-UHFFFAOYSA-N	235.203	-0.599	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	911294889	GJWIOYDVYQPWSS-POSAZWSLSA-N	244.316	-0.034	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC12CC2)c1cnn[nH]1	1144480277	MBKGGMQNQHFALJ-RXMQYKEDSA-N	221.220	-0.634	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(C#N)cc1	1292358461	JULMYNDHYFDCQX-SNVBAGLBSA-N	245.238	-0.134	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)Cc1cc[nH]n1	1293203407	HPQNQBLTUFRWFA-QMMMGPOBSA-N	240.263	-0.739	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H](CC(C)C)C(N)=O	1449272081	NLDKHZRYJIHERL-SSDOTTSWSA-N	245.279	-0.137	50	10	BBGE	
COc1cc(C(=O)NN(C)C(N)=O)ncn1	1466168583	YFZFKYHJRJGTMJ-UHFFFAOYSA-N	225.208	-0.860	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1	1638526186	GWICZFCDJYCLRJ-BDAKNGLRSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)c1cccc(F)n1	1642321490	RCPUCDNSYJJWSA-RXMQYKEDSA-N	227.195	-0.638	50	10	BBGE	
O=C(NOCCCl)[C@@H]1CCS1(=O)=O	1883018882	PXHATBCCZSTVAY-YFKPBYRVSA-N	227.669	-0.540	50	10	BBGE	
OCC(CO)(CO)CNC[C@@H]1C[C@H]1Cl	1893118092	FKWUMYFFBNXIJB-JGVFFNPUSA-N	223.700	-0.833	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893468986	DQDTYRYIQJPUPE-CPDSJTNBSA-N	221.640	-0.435	50	10	BBGE	
COC[C@@H](O[C@@H]1C=CCC1)C(=O)NN	1893783796	VAGKWTDFEXHLSN-HTQZYQBOSA-N	200.238	-0.274	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1895003734	OQVBQPXZVZRPIL-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3C[C@@H]3CO2)CC(=O)O1	1895768196	HYNAZTBVCSSGOZ-YIZRAAEISA-N	225.244	-0.203	50	10	BBGE	
CC/C=C\CNC(=O)c1cnsc1B(O)O	1900468111	WKFUXWHLPFBWHL-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
CC=CCOc1nc(OC)ccc1B(O)O	1900868871	MXUZSFNMYMZFGL-UHFFFAOYSA-N	223.037	-0.275	50	10	BBGE	
CC[C@](C)(Cn1cnccc1=O)C(=O)NN	1902735405	YFJNTPKPDMVDNK-SNVBAGLBSA-N	224.264	-0.351	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@@H]2F)[nH]cc1F	1903006874	ZDTUCZQRRVYISF-VDTYLAMSSA-N	228.007	-0.908	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1906506724	CIBOSXJKBRYGKT-QYNIQEEDSA-N	247.245	-0.226	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(CO)CC1	1915531184	JNXFFNLPWXQUGZ-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C#CCOC1CN(S(=O)(=O)CCCl)C1	1929067662	RVLRKWHOPRQDKV-UHFFFAOYSA-N	237.708	-0.111	50	10	BBGE	
C[C@]1(OCC2(C(=O)NN)CC2)CCOC1	1931266955	MMTBYPHZBPZQJA-VIFPVBQESA-N	214.265	-0.048	50	10	BBGE	
COCC1(N(C)CC(F)(F)C(=O)NN)CC1	1935935763	NJEFJVJBXCBFAA-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936083789	KIITUDWZGVVCDP-YUMQZZPRSA-N	226.280	-0.630	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CCOCC1	1936087403	BRZKGHYNZIZWFH-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936095554	YGVYXNQMBMDJCW-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1OCCN(CCOCC(=O)NN)[C@@H]1C	1936527999	DIIMLKUQNCOPKT-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
OC[C@]12CN(CCOCCCl)C[C@@]1(CO)C2	1937053937	OLILPWZQPVTFGX-PHIMTYICSA-N	249.738	-0.082	50	10	BBGE	
NNC(=O)C1(CN2CC(O)(C3CC3)C2)CC1	1938249339	SUQYBIDYJPFJPD-UHFFFAOYSA-N	225.292	-0.787	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CC1(F)F	1938860230	MKULQLDWTFVZFT-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
CC1(C)CC[C@H](CCNC(=O)C(=O)NN)OC1	1940624909	HHTLXSYSSIWKHO-MRVPVSSYSA-N	243.307	-0.312	50	10	BBGE	
C[C@H]1CN(C)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083926	UZWKBXMZHAFICJ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H](CCF)C1	1941086023	PKGUNLRPOXLPOZ-OPRDCNLKSA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@@H]1C1CC1	1941123371	WZOXUYDTSOQGGR-GMTAPVOTSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCCC[C@H]1C2	1948622791	ZTQMNAWUTXKRLE-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
COC[C@]1([C@@H](N)[C@H](O)C#N)CCCCO1	1953064060	OJNIHHNSZTZPQG-UTLUCORTSA-N	214.265	-0.216	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)NNC(N)=S)C1	1954962992	KBOCFPXEXRDIDQ-RXMQYKEDSA-N	217.294	-0.334	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@@H](C)C(=O)NN	1955920229	AVLRVIUKIQMSOF-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)CC(=O)N1C	1956260027	DJAPBNGJWBQLFA-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](F)[C@H](F)C1	1956624831	FUTBLAOUKHYEDR-RRKCRQDMSA-N	207.224	-0.253	50	10	BBGE	
OB(O)c1ccn([C@@H]2CC[C@@H]3C[C@H]3C2)n1	1957524210	KHZQBAFGAVNCLP-HRDYMLBCSA-N	206.054	-0.076	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@@H]1C	1958270565	SDINLSNMYGXWNE-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2C=C[C@H]1C2	1958752197	ATEGWNHRZYZEKK-YUMQZZPRSA-N	209.249	-0.457	50	10	BBGE	
NNC(=O)N1CC[C@@H](C(N)=O)CC12CC2	1960628136	PPWBAHMNCAOQTO-ZCFIWIBFSA-N	212.253	-0.700	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSCCO)n1	1961178977	QULUCKLHAOQMMM-UHFFFAOYSA-N	230.293	-0.751	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ncncc1B(O)O	1961681579	UZCMABUJIOLYIY-RQJHMYQMSA-N	207.042	-0.999	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@H]1C[C@H]1C(=O)NN	1979615130	DCFWGGLVVYGXOK-KYXWUPHJSA-N	227.308	-0.685	50	10	BBGE	
CCN(c1ncncc1B(O)O)C(C)(C)C	1981414922	XURDDGVJVVCQDW-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@H]1CCCOC1	1981471643	KBJKIOPUJGYJNH-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CN1C[C@@H](C(=O)NC2CC(Cl)C2)NCC1=O	1983210544	ADOLAWVKYDNMME-RRQHEKLDSA-N	245.710	-0.697	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	1983566210	AJLJIRMSJYWJIO-HLTSFMKQSA-N	227.308	-0.542	50	10	BBGE	
CC(C)N1[C@@H](C)CN(CC(=O)NN)C[C@@H]1C	1987293289	GBQJYBHLQKTIGI-UWVGGRQHSA-N	228.340	-0.221	50	10	BBGE	
OB(O)c1cnccc1Oc1cccnc1	1988363987	WFVIJDFDOBKLAA-UHFFFAOYSA-N	216.005	-0.051	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CN)C1(C)C	1999554648	AWXJQQCPDTXURB-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477646	MGADIGUKUHLJLW-GHXJOQNMSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCN1CC(=O)N[C@@H]2CCCC[C@@H]21	2004291352	RPKYZTSGFNITES-BDAKNGLRSA-N	240.307	-0.891	50	10	BBGE	
CN(CCC(F)(F)F)c1ncncc1B(O)O	2004913876	JLAAAYBLNCHIKJ-UHFFFAOYSA-N	249.001	-0.455	50	10	BBGE	
Cc1ccnc(N2C[C@H](C)[C@@H](F)C2)c1B(O)O	2004918415	LLBGITOSGAPYAF-IUCAKERBSA-N	238.071	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CO[C@@H](C)C2)n1	2004928747	GBMIORHKFUFWLK-POYBYMJQSA-N	238.052	-0.979	50	10	BBGE	
CC[C@H]1CCN(c2ncnc(C)c2B(O)O)C1	2004973584	XDRUELULICSJLP-VIFPVBQESA-N	235.096	-0.299	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)C[C@@H]2C)c1B(O)O	2004973697	YPBAMHKUTWIUMC-YUMQZZPRSA-N	235.096	-0.300	50	10	BBGE	
O=C1CN(c2cccn3cnnc23)CC(=O)O1	2007999678	WOKZCLJFTXUSJI-UHFFFAOYSA-N	232.199	-0.381	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CC[C@H]2O)C1	2009520980	QPFVPYRWVOKOFS-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
OB(O)c1cnn(CC2C[C@@H]3CC[C@H](C2)O3)c1	2010677297	KTLKQKPPUYKNCI-UQPYNNQESA-N	236.080	-0.480	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)NC(=O)C1(C)C)C(=O)NN	2013377328	WTYRUWFMKCISQZ-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](C(C)C)C1	2019213779	WMDFBLIEZJQZIS-SNVBAGLBSA-N	243.307	-0.490	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@@H](C)O1	2019515438	DSYBUEKQRYZLMS-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC(C)c1conc1C(=O)NCC#CB(O)O	2021126382	SQGJXFYIRPFUEO-UHFFFAOYSA-N	236.036	-0.457	50	10	BBGE	
CO[C@H]1C[C@H]1COCc1cccc(B(O)O)c1	2022703259	YGZHPPAKQRPNSV-JQWIXIFHSA-N	236.076	-0.082	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C2(O)CCC2)CC1	2025073709	LQAKHIPAZDCPFM-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COc1ccccc1C(N)=O	2028046208	UKEZZLFMCVIMLS-VXNVDRBHSA-N	249.270	-0.210	50	10	BBGE	
O=C(CN1CCCC1)Nc1ccc(B(O)O)cc1	2031516312	TZVBLUFGFQFIOX-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]2(N)CC[C@H]3C[C@H]32)CC1	2046942111	WRARMEQSDBDWJV-CWSCBRNRSA-N	249.314	-0.009	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2COC[C@H]21	2052492080	PVVCPAPUZHRJEB-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CC[C@H]2C3)n1	2052619384	DYNWTOWAGVFTRJ-UWVGGRQHSA-N	247.107	-0.238	50	10	BBGE	
Cc1cc(C#N)c([N+](=O)[O-])cc1B(O)O	2060305570	OADANTRXFODHRN-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
OB(O)c1cnn(Cc2ccc3cncn3c2)c1	2067575713	BCXVPINAWKXKEV-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
Cc1ccc(OCC2[C@@H]3COC[C@@H]23)c(B(O)O)c1	2068638372	DVWDTVWJSJNFKQ-NXEZZACHSA-N	248.087	-0.054	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccccc1[N+](=O)[O-]	2077493027	UYPAJFLRURRBBM-UHFFFAOYSA-N	248.003	-0.660	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3C[C@H](C2)O3)n1	2077854749	FGNPDAYKDQZHTF-AOOOYVTPSA-N	248.286	-0.342	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ccccc1B(O)O	2079009869	LFDFLJLJVUBXON-VIFPVBQESA-N	245.087	-0.104	50	10	BBGE	
C#C[C@@H](CCC)Oc1ncc(B(O)O)cn1	2212608009	FYIXOTBKQJHJHJ-VIFPVBQESA-N	220.037	-0.663	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)ccn1)[C@H](C)N	2212608311	RMWODXKVMKRJOU-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
NC1(COc2ncccc2B(O)O)CCCC1	2217165998	KIOLMJOIHDAJOS-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
CC[C@H](CN(C)C)Nc1ccc(B(O)O)cn1	2217177520	JVGASRIWSZLSIH-SNVBAGLBSA-N	237.112	-0.487	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1c1cc(B(O)O)ccn1	2217178801	AZAIEFMNJPHISH-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)CCO1	2217180994	MUSBMJQFFUAOCB-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1ccnc(OC2CCOCC2)c1F	2217193069	RIYLFHKYTZVEHE-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
CO[C@@H](CNc1cc(B(O)O)ccn1)C1CC1	2217200897	BKUPBNVFSCLDRU-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCCNC1	2223629543	VDCIUELWDSDUPQ-LBPRGKRZSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2C[C@H]3O)nc1	2223632112	FWMLXCBEOWXURX-SCVMZPAESA-N	248.091	-0.667	50	10	BBGE	
OB(O)c1ccnc(N2CCOC[C@H]2C2CC2)c1	2223635071	RYVORTVJCJHYJS-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@H]3CNC[C@H]32)c1	2223637120	OFTAOAXWBGQWSF-FBIMIBRVSA-N	247.107	-0.829	50	10	BBGE	
C[C@H]1CNC[C@H]1CCNc1ncccc1B(O)O	2223669758	OCXPBLHTWDMOPG-VHSXEESVSA-N	249.123	-0.581	50	10	BBGE	
CC1(C)CNC[C@H](Nc2ncccc2B(O)O)C1	2223675009	OOZXCMHVUFEVPT-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
CONC(=O)c1cc(B(O)O)sc1C	2241497022	YWMCWEVOOJWNMZ-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@H]1CC[C@H]1O	2242387559	DPVKHYPJGBDACU-XUTVFYLZSA-N	216.306	-0.131	50	10	BBGE	
CC1CC(NC(=O)c2ccc(B(O)O)s2)C1	2243350194	XJDYESRHNULCOH-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
O=C(C#CB(O)O)NOCCCC(F)(F)F	2243357430	WSXXTWHLDVKTNU-UHFFFAOYSA-N	238.958	-0.608	50	10	BBGE	
CON(C)C(=O)c1c(B(O)O)sc(C)c1C	2243378720	YBUJYQHCJUEDMY-UHFFFAOYSA-N	243.093	-0.322	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1cc(B(O)O)cs1	2243385798	ONMBRRDNLKSPSL-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
O=C(NOCC1CC1)c1ccoc1B(O)O	2243407021	JXWWFXISVUHZEB-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
C=C(CS(=O)(=O)NCCCC#CC)B(O)O	2243426714	KQYNLYSSSIHBDB-UHFFFAOYSA-N	245.109	-0.723	50	10	BBGE	
O=C(NCCC1(CO)CC1)[C@H]1C[C@@H]1B(O)O	2243427181	RKACUZRCAOBUHA-YUMQZZPRSA-N	227.069	-0.872	50	10	BBGE	
CN(CC1COC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243999841	AJODNVUHIJIMBO-DTORHVGOSA-N	227.069	-0.656	50	10	BBGE	
Cn1cnnc1CN1CCC(B(O)O)CC1	2244180528	OFPKPJUEWFFXBG-UHFFFAOYSA-N	224.073	-0.746	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cocc1B(O)O	2244205094	FSGMAEGZZVFXCD-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)co1	2244223679	YMVLWNMBJOCSHE-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@H](C)CN(C)C	2246816441	QVWLBHOMMNWPGK-MRVPVSSYSA-N	238.096	-0.601	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)O)CO[C@H]1C2	2247324575	XEUKFRRBRRRJCC-FWWHASMVSA-N	243.263	-0.606	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C#CB(O)O)C1(C)C	2247737181	DLSJOEOTJMAHCB-IUCAKERBSA-N	239.080	-0.821	50	10	BBGE	
NNC(=O)c1ccc2cc(B(O)O)ccc2c1	2247739263	ZQLNCXGMTIWQEZ-UHFFFAOYSA-N	230.032	-0.877	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)C1(B(O)O)CC1	2247750215	GGWQQSMQPVLEEO-KDXUFGMBSA-N	238.096	-0.765	50	10	BBGE	
CCCN(CCN(C)C)C(=O)C1(B(O)O)CC1	2247754178	CJCIZZPDAIQDNA-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
COC[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247757160	OUDAWDRXYYYERD-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
N[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C2(CC2)C1	2247757601	XBOODAPGFLRBBV-MRVPVSSYSA-N	238.096	-0.524	50	10	BBGE	
O=C(N1CC(O)(C(F)F)C1)C1(B(O)O)CCC1	2247758363	VFARJWMTZLWZOW-UHFFFAOYSA-N	249.022	-0.778	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2[C@@H](O)C[C@H]2C1	2247784997	DRTDPBJPVAUHCY-OEZYJKACSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(CCO)C1CCC1	2247797512	KIKBZEJBPCYXQR-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
CC(C)N(C)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247800030	KNOAJVQVVZESEF-UWVGGRQHSA-N	242.128	-0.304	50	10	BBGE	
CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2247800474	PLNKKDYYECMHIY-UWVGGRQHSA-N	242.128	-0.351	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2247805054	AOSVZGKKIQHMKY-BZNPZCIMSA-N	239.080	-0.731	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2CNC[C@@H]21	2247806586	GCPZSLUMSYPLEY-JXUBOQSCSA-N	238.096	-0.940	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2247809234	YKCSCTPUIQDGTA-RKDXNWHRSA-N	240.112	-0.598	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(C(=O)O)cc1	2247850384	NWDRUINVBULGJP-UHFFFAOYSA-N	232.988	-0.661	50	10	BBGE	
C[C@@H](CO)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247851248	XGPMMYXVQSFCFF-UWVGGRQHSA-N	239.080	-0.989	50	10	BBGE	
CC(C)OC[C@H]1CCCN1C(=O)C#CB(O)O	2247851264	XLMJETKGBGWCOE-SNVBAGLBSA-N	239.080	-0.582	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1C(=O)C1(B(O)O)CC1	2247877867	FOSDVQMSXXHOFZ-QMMMGPOBSA-N	240.112	-0.278	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C1)C2O)C1(B(O)O)CCC1	2247878041	HAFWPENPSHWPJF-JVHMLUBASA-N	239.080	-0.777	50	10	BBGE	
COCC(C)(COC)NC(=O)C1(B(O)O)CC1	2247878092	HPRYOBAOHULIPH-UHFFFAOYSA-N	245.084	-0.839	50	10	BBGE	
C[C@@]1(O)CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247879765	VPNHNDXVZDIYPL-WCBMZHEXSA-N	241.096	-0.197	50	10	BBGE	
CC1([C@@H](CO)NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247894532	HSGOTSATKUBWPI-IWSPIJDZSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCc1ccnc(O)c1)[C@@H]1C[C@H]1B(O)O	2247897546	URAMZAODFOHASE-HTQZYQBOSA-N	236.036	-0.734	50	10	BBGE	
CN(C[C@@H]1CCCCN1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247898416	DGMRJKCASYMALG-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2CNC[C@@H]21	2247900390	WKEWXUZEHPIKIY-XKNYDFJKSA-N	238.096	-0.940	50	10	BBGE	
C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248573507	FUWZPGREGOCMPV-BYULHYEWSA-N	241.052	-0.828	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1cocc1B(O)O	2249422399	DDQCCZFVJFUFPN-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](NC(=O)C1(B(O)O)CC1)C2	2249644079	BEGMGHQLIRCUAC-WEDXCCLWSA-N	239.080	-0.323	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(F)cc1B(O)O	2255500006	FWXWXGPURZMEAK-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
C#CC1CN(C(=O)Nc2ccccc2B(O)O)C1	2255905505	BZEYOBAMOIYLDD-UHFFFAOYSA-N	244.059	-0.537	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)ccc1O	2256017850	UOEDTRTZDFISFU-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
C#CCC1(NC(=O)c2cocc2B(O)O)CCC1	2258125860	BNDJREHFSZHOPL-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC2(CC1)CC2	2258143690	IRVSNXWAJRWPOH-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
NNC(=O)CNC(=O)C=Cc1ccccc1	2293367112	RPOHVKMQCFUVRQ-UHFFFAOYSA-N	219.244	-0.194	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)[C@H]1C[C@H]1B(O)O	2298371442	LHRHTOXNNWWPFB-SDCKUUTBSA-N	237.064	-0.223	50	10	BBGE	
COC[C@]1(C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298468126	SQUOAARIZDIAJF-SJQPAMGKSA-N	241.096	-0.362	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1CC(=O)NNC(C)=O	2299235864	ZENUWPKYYIHGFS-VHSXEESVSA-N	241.291	-0.835	50	10	BBGE	
CO[C@@H]1CC(O[C@@H](C)CC(=O)NN)C[C@H]1OC	2300922876	CZEDHABSTXCEHV-FXBDTBDDSA-N	246.307	-0.036	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC1(N)CC1	2301366096	AFSKMNNCYFEGRX-UHFFFAOYSA-N	232.048	-0.892	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1	2303114222	JSHQNOKRNKPPCY-CSMHCCOUSA-N	243.068	-0.582	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	2304308859	DVPCGFZPANSXRB-ZDCRXTMVSA-N	241.335	-0.296	50	10	BBGE	
N[C@H]1C[C@@H](COc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614463	PHYVUNBMGSASJA-KBIXCLLPSA-N	248.091	-0.877	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CC[C@H]2CN3)nc1	2315633786	QVIGMBDPWADSSG-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)nc1	2328035514	PPTDCWMCHZIHSZ-RKDXNWHRSA-N	249.079	-0.051	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(CCO)cc1	40739340	XYEIVOIYXRFOMD-UHFFFAOYSA-N	223.232	-0.850	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC(=O)NCCN(C)C	41706353	KRXKKPMKXNOOFM-SSDOTTSWSA-N	235.715	-0.592	50	10	BBGE	
COCCN(C(=O)NN)[C@@H](C)COC	42612922	WQGKXYKSJJNQBZ-ZETCQYMHSA-N	205.258	-0.447	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CCCO	52762402	PQGFOCKAJLJNMR-JTQLQIEISA-N	243.307	-0.609	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H]1COCCO1	66572928	YVXCBSAPAYYEBS-VIFPVBQESA-N	244.291	-0.015	50	10	BBGE	
N/C(=N\NC(=O)c1ccccc1)C(=O)O	75613849	DNCWGQDZLBXGTB-UHFFFAOYSA-N	207.189	-0.227	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC(=O)N(C)C	82467369	JKNYZBSNPQWUDO-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]2CCC[C@@H]21	82469828	FUSCNCXPGRPMFO-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2CC2)CC1	82471200	DTHBNUJHIGLZPO-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](CCC(=O)NN)Sc1nnc(N)n1C	82473349	OVMJCCWTYWTJFK-RXMQYKEDSA-N	244.324	-0.352	50	10	BBGE	
O=C(O)CCNS(=O)(=O)CCl	82513041	LDSNMOASVVVTKO-UHFFFAOYSA-N	201.631	-0.423	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C(C)(C)CO	134190854	YYQMOLRKBXCGNK-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
N[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H]1B(O)O	195986339	MDMCBELABOQWEC-BBBLOLIVSA-N	240.112	-0.493	50	10	BBGE	
Nc1cc(B(O)O)cc(Br)n1	206085805	ADGCEEUBWFLWNV-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@@H]2CC1	210197946	MLECMDWXHVGIBO-NTSWFWBYSA-N	207.189	-0.819	50	10	BBGE	
O[C@H]1[C@@H]2O[C@@H]2[C@@H](Br)[C@@H]2O[C@H]12	306315515	PVJIBJBAXAOCNY-XBQGMCBBSA-N	207.023	-0.341	50	10	BBGE	
O[C@H](CCl)CN1C2COCC1COC2	306741497	UTZHEPQZHAEGSC-AMDVSUOASA-N	221.684	-0.314	50	10	BBGE	
CC(=O)N1CC(F)(F)C[C@@H]1C(=O)NN	307019927	VZFQNPPLZGLMOB-RXMQYKEDSA-N	207.180	-0.768	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	307357939	XPIFCZBEPPTXNA-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C(=O)CBr)C1	307517145	WWMSPLHDBKCDAX-ZCFIWIBFSA-N	249.108	-0.024	50	10	BBGE	
COC[C@@](C)(NC(=O)NN(C)C)C(=O)O	328546844	ODEKDBAVQMWFDN-MRVPVSSYSA-N	219.241	-0.748	50	10	BBGE	
Cn1nnc(CN[C@]2(CCl)CCOC2)n1	393931377	JVSVZVZAEXUJIR-QMMMGPOBSA-N	231.687	-0.302	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1C=O	396063618	YODAOLVSTKEMBM-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
O=C(O)Cc1nc2cccc(B(O)O)c2o1	396097588	OVXOYNJMSHIAJG-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
CC(=O)Cc1ccc(CC(=O)O)cc1B(O)O	396135860	GTVUAFUPPUHONJ-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccncn1	396624228	JTUTWMXTXVBSMI-UHFFFAOYSA-N	209.253	-0.712	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ccncn1	396638967	OITROFZVTDLZQK-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(CCCC(=O)NN)C1	398862232	WLDPAESAXSBXST-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC2(CC2)C1	400359942	XNJJMJXHMBMWLT-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)N1CCC(F)(F)[C@H](CO)C1	403213364	FVXLVRDCWTWQBK-YFKPBYRVSA-N	209.196	-0.481	50	10	BBGE	
Cc1ccc(C(=O)Nc2cc(B(O)O)ccn2)o1	405012323	YEUCFHBSCSWXOB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1CCO[C@@H]1C(=O)Nc1cccc(B(O)O)c1	405031433	PSOFPBTWRXUSLD-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CN(C)C(=O)NCc1cccc(B(O)O)c1	405127438	DOCYFXAAYWOATE-UHFFFAOYSA-N	222.053	-0.862	50	10	BBGE	
Cc1nn(C2CCOCC2)c(C)c1B(O)O	575453397	IHIINIMMQLOYSL-UHFFFAOYSA-N	224.069	-0.469	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCO2)cc1	686728884	ISWNJZWRNKNBSH-SNVBAGLBSA-N	208.022	-0.118	50	10	BBGE	
COC[C@@](C)(CO)N(C)C[C@@H](O)CCl	689313862	DNBKLKKIPHOXLZ-DTWKUNHWSA-N	225.716	-0.085	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2CCCCO2)n1	694278244	YYEIFOWJBUJKBN-VIFPVBQESA-N	224.069	-0.478	50	10	BBGE	
CC(=O)NNC(=O)CSC1=NCCCCN1	697713520	HGXLNNHIHVBIMU-UHFFFAOYSA-N	244.320	-0.374	50	10	BBGE	
Cc1ccc(/C=C\C(=O)NCB(O)O)o1	702022581	ZGMNHFBMCZWCLV-PLNGDYQASA-N	209.010	-0.271	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1[C@H](C)CC(=O)NN	706194976	SYIPLBUZLDDLKK-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@@H]2C1	706312416	PXKZMTXZQJCDOF-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
OB(O)c1cccc(OCCN2CC[C@@H]3C[C@H]32)c1	707084420	FPUHRTXLGXXEGP-ZWNOBZJWSA-N	247.103	-0.161	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(CCOC2)C1	707218880	KWVDKFHLMBNCHG-SNVBAGLBSA-N	213.281	-0.521	50	10	BBGE	
NNC(=O)CCCN(CCO)CC1CC1	708572042	HFTLWHCLTFQUDO-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)COC1=O	709014759	WTLLWEUSYQVCJP-UHFFFAOYSA-N	229.236	-0.485	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)CBr	711196650	HKTYWZXTWROASW-BYPYZUCNSA-N	223.070	-0.287	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](C(=O)O)C2(CC2)C1	715574139	HMQGGDRFLRRTEU-SSDOTTSWSA-N	227.264	-0.031	50	10	BBGE	
CN(C[C]1CC=CS1)C(=O)C(=O)NN	725539774	IEEDAXPWOMRRMD-UHFFFAOYSA-N	214.270	-0.383	50	10	BBGE	
C[S@](=O)NC[C]1C=C(B(O)O)CS1	725596217	VBZZTAVMQUCIQW-ZDUSSCGKSA-N	220.104	-0.913	50	10	BBGE	
NC(=O)NCC(=O)NNc1ccccc1	732266227	OGHGLBXNYORFTB-UHFFFAOYSA-N	208.221	-0.202	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)[C@@H]1CCCS1	819669830	RBBGGZMLOGVCLP-ZETCQYMHSA-N	230.289	-0.422	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@@]2(C)CCCO2)COC1	833486083	NQHSYSISXIREOV-LLVKDONJSA-N	242.275	-0.261	50	10	BBGE	
COC1(C(=O)NNC(=O)Cc2ccccn2)CC1	843544462	UYTKRMVDWXHFNO-UHFFFAOYSA-N	249.270	-0.050	50	10	BBGE	
CCCNC(=O)NNC(=O)C1(OC)CC1	843776279	KJFAFJQCPVAGMF-UHFFFAOYSA-N	215.253	-0.094	50	10	BBGE	
CN(NC(=O)[C@H]1CCN(C)S1(=O)=O)C1CC1	843909075	TXQDLYIGYWJKPK-MRVPVSSYSA-N	247.320	-0.854	50	10	BBGE	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cn(C)nn1	855186453	VTOIQGKKVSRWSO-SSDOTTSWSA-N	239.279	-0.132	50	10	BBGE	
CNC(=O)CC(=O)NNc1ncc(Cl)cn1	857358130	PMEXHBLDYLPBQP-UHFFFAOYSA-N	243.654	-0.291	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN=Cc2cn(C)nn2)O1	863167147	MAEVBHDNMPHVOB-VXNVDRBHSA-N	237.263	-0.167	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NNC(=O)CO)C1	897312600	JFBLQWCZTCBVRG-ZETCQYMHSA-N	230.264	-0.669	50	10	BBGE	
CCC(C)(C)[C@@H](O)C(=O)N1CC[C@@H](B(O)O)C1	902551640	GSUQRDNQSDBAKM-BDAKNGLRSA-N	243.112	-0.141	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1cnsn1	923902925	YHXZRQDHBKGZOI-NSCUHMNNSA-N	242.260	-0.498	50	10	BBGE	
CCCNC(=O)NNC(=O)c1ccc(O)nn1	1142507363	VRYVZAKBYAJJEC-UHFFFAOYSA-N	239.235	-0.464	50	10	BBGE	
CCOc1cc(C(=O)NNC(=O)NC)on1	1292012300	YONADVWPZOZNSM-UHFFFAOYSA-N	228.208	-0.353	50	10	BBGE	
CCCCNC(=O)NNC(=O)Cc1nc[nH]n1	1583451301	CRFOWCBFWSGWGB-UHFFFAOYSA-N	240.267	-0.522	50	10	BBGE	
Cn1nc(C(=O)NNc2cccnn2)cc1C=O	1623748656	NTKMJOZIDFKOQR-UHFFFAOYSA-N	246.230	-0.221	50	10	BBGE	
O=C(NNc1ccncn1)c1nc[nH]n1	1648795294	FUPWHNMFARRSFZ-UHFFFAOYSA-N	205.181	-0.648	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC12CCSCC2	1650909733	MGZVAISXXWQNET-ZETCQYMHSA-N	244.316	-0.341	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)CCl)[C@@H]1O	1877604651	HVUZLIDROOVQMX-VDTYLAMSSA-N	207.657	-0.120	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2Cl)CC(=O)N1	1883554996	WXWYSWXKDFBTHB-PHDIDXHHSA-N	202.641	-0.428	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	1884452754	SBOPDZRXPSQYPR-HSUXUTPPSA-N	215.278	-0.724	50	10	BBGE	
O=C1CC2(CN1)CN(C[C@@H](O)CCl)C2	1884793617	XCUCPNJKSCQBLO-ZETCQYMHSA-N	218.684	-0.592	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NNCCO	1884872137	UEKYHVYBXSTSFO-XNCJUZBTSA-N	208.208	-0.109	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1886137008	CNYWQNFKJMIZGP-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
O[C@H]1COC2(CN(CCCCl)C2)[C@@H]1O	1886159640	PGDNOHYEGFKUSA-JGVFFNPUSA-N	221.684	-0.578	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1C[C@@H](O)CCl	1886265973	SDPQWDVTPMSXCA-PRJMDXOYSA-N	209.673	-0.986	50	10	BBGE	
CO[C@@H]1CCN[C@H](C(=O)NN(C)C)C1	1887235617	UKVSKCLCVLQMQH-SFYZADRCSA-N	201.270	-0.654	50	10	BBGE	
O=S(=O)(CCOCCCl)NCCCO	1889159556	QNQUXRLUTWCSSV-UHFFFAOYSA-N	245.728	-0.456	50	10	BBGE	
C[C@@H]1CC(=O)N([C@H](C)CC(=O)NN)C1=O	1893837494	BPBCZTKNEJWOPO-PHDIDXHHSA-N	213.237	-0.850	50	10	BBGE	
CN(N)C(=O)NC1CCS(=O)(=O)CC1	1894918918	NVQZEYZUVVLUNW-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
CCCN(CCC)NC(=O)[C@]1(O)CCNC1	1901996117	VFZORPWDEDRGNF-NSHDSACASA-N	229.324	-0.136	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1sccc1B(O)O	1902406422	MZZJOUPRUSSEOZ-ZETCQYMHSA-N	237.089	-0.380	50	10	BBGE	
CC[C@](C)(CN1C[C@@](C)(O)CO1)C(=O)NN	1902710778	YXPKRSJWEONONA-NXEZZACHSA-N	231.296	-0.609	50	10	BBGE	
CS[C@@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	1905408590	GSTBNXHWDINKDJ-DTWKUNHWSA-N	245.348	-0.021	50	10	BBGE	
CO[C@@H]1CC(N(C)[C@H](C)C(=O)NN)C[C@H]1OC	1906527765	JYHMFQKZSJNVJV-SZEHBUNVSA-N	245.323	-0.511	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@@H]3C2)ncc1B(O)O	1907077154	PSMUAEPMIAMUET-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2[C@H](C1)C2(F)F	1909985134	BVJMJRXPXKNLCI-SFYZADRCSA-N	247.245	-0.259	50	10	BBGE	
O=S(=O)(NCCCl)N1CC[C@H](O)C1	1914177808	WFWUXIRVMQVMBX-LURJTMIESA-N	228.701	-0.874	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	1914254126	IHSQTUKRRSHLBC-DJLDLDEBSA-N	215.297	-0.544	50	10	BBGE	
C[C@H]1C[C@@H](Cl)CN1C(=O)Cn1cnnn1	1928697206	WVNHKHZZVLXCOS-NKWVEPMBSA-N	229.671	-0.099	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CSC2=O)CC1	1931269866	WWJASWDHLSVSDV-UHFFFAOYSA-N	229.261	-0.548	50	10	BBGE	
CCN(C)[C@H]1CCN([C@@H](C)C(=O)NN)C1	1933286133	HFASYHXJSVFINZ-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H]1COCCN([C@H](C)C(=O)NN)C1	1933533829	UAKHEOVGYFSXOD-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
Cn1ncnc1[C@@H]1CS(=O)(=O)C[C@H]1Cl	1934428701	UYDUQKSBRKFUBC-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936093710	GWGBKBMIKGSTLG-YUMQZZPRSA-N	226.280	-0.630	50	10	BBGE	
Cc1cnn(C)c1CN(C)[C@@H](C)C(=O)NN	1937834161	ZJTMSJHNBDCEML-QMMMGPOBSA-N	225.296	-0.461	50	10	BBGE	
CN(C[C@H]1OCCC1(C)C)C(=O)C(=O)NN	1939293569	SKYHTBGOGCPOMN-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2OCC[C@H]2C1	1940889391	CHZAORLGRQFEPS-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2OCCO[C@H]2C1	1944744721	QCANFDLQIOUZLD-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COCC[C@H]32)CC1	1945884068	KWJMIJFFYUGYQP-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1CCl	1954309745	LYLJNYZAXUBCHV-PHDIDXHHSA-N	225.697	-0.226	50	10	BBGE	
C#CCOC1CN(C[C@@H](O)CCl)C1	1954821719	CUVRZRCUXLVHOD-QMMMGPOBSA-N	203.669	-0.080	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@@H]3C2)n1	1956966685	YVMXCKAPLPHSKD-PHDIDXHHSA-N	210.067	-0.721	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)[C@H](C)C(=O)NN)CO1	1958050404	GDAGJLDXGPAORT-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N(C(=O)NN(C)C)C1	1958425202	KAYLRIAYNUEJMD-BQBZGAKWSA-N	215.253	-0.032	50	10	BBGE	
CC(C)(CN1CC=C[C@@H](O)C1)C(=O)NN	1960250148	YHQUAWMZELFDHS-MRVPVSSYSA-N	213.281	-0.765	50	10	BBGE	
Cc1cc(N2CC(C)C2)ncc1B(O)O	1961717907	HXLXPESXHOMATH-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2n1nnnc1CCl	1962340180	AESJTPTVZZHWKX-KCQQBQQISA-N	248.695	-0.373	50	10	BBGE	
CCO[C@@H]1CC[C@H](C(=O)NNCCO)C1	1962378875	OBTNAMWSRQXKOU-DTWKUNHWSA-N	216.281	-0.195	50	10	BBGE	
OB(O)c1cnc(N2CC(CF)C2)c(Cl)c1	1981468990	KSYGPDUXRHIWTF-UHFFFAOYSA-N	244.462	-0.180	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@@H]3C2)c(F)c1	1981470392	AYMXNFOOLBFJIP-RNFRBKRXSA-N	222.028	-0.643	50	10	BBGE	
CC[C@@H]1CCN1c1nc(C)ncc1B(O)O	1981473441	YXQJDCQCKASINI-MRVPVSSYSA-N	221.069	-0.546	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1982705817	WVRNJFOBOSWNNH-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
COC(=O)C1(C(=O)NN(C)C)CCNCC1	1983503582	QZXAMSBBMCYFQO-UHFFFAOYSA-N	229.280	-0.878	50	10	BBGE	
C=CC=CCCn1cccc(B(O)O)c1=O	1984101688	NLFMSXGRWCKHAZ-UHFFFAOYSA-N	219.049	-0.340	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC2(F)F)n1	1985885293	WIQVIZLQEOXKNL-ZCFIWIBFSA-N	229.979	-0.749	50	10	BBGE	
C[C@H](O[C@H]1C[C@@H](n2cccn2)C1)C(=O)NN	1986220745	CGNWLKUQRIDNCE-XHNCKOQMSA-N	224.264	-0.018	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC(C)(C)[C@H]1CO	1986922109	BSMSOEBBUSQYTP-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
COCCOCCCN(C)[C@H](C)C(=O)NN	1987018034	UMPWPWDOKXSJRZ-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
Cc1nc(OCC(C)(C)F)ncc1B(O)O	1989423385	KXSLWIWQHKDCTL-UHFFFAOYSA-N	228.032	-0.408	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@]1(C)CCOC1	1990776562	MNDSOGYWYAJIOJ-SNVBAGLBSA-N	229.280	-0.736	50	10	BBGE	
NC[C@H]1CN(C(=O)C=CC(=O)Cl)CCCO1	1991661729	DWXMMKRYKBVDFB-QMMMGPOBSA-N	246.694	-0.116	50	10	BBGE	
C[C@]1(NC(=O)[C@@H]2C[C@@H]2Cl)CCC(=O)NC1=O	1991687404	KGQWFRIDFXHFHL-KORWRZNCSA-N	244.678	-0.075	50	10	BBGE	
COC(=O)C1(NC(=O)C2CC(Cl)C2)CNC1	1991699448	FBWRBOIVEOCLOK-UHFFFAOYSA-N	246.694	-0.365	50	10	BBGE	
C=C(CN1CCS[C@H]2COCC[C@H]21)B(O)O	1992145791	OHLDSURJCGLRHQ-ZJUUUORDSA-N	243.137	-0.239	50	10	BBGE	
C=C(CN1CCC[C@]12CC[S@@](=O)C2)B(O)O	1992152274	CHEZVHUJHSDGFH-QLJPJBMISA-N	243.137	-0.458	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C[C@H](C)C(=O)NN	1995336636	FVWKHLDRXBAILB-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1[C@H]2CC[C@H]12	1997530193	QRIJDUMVCTXEDS-BQBZGAKWSA-N	232.048	-0.644	50	10	BBGE	
C[C@@H](N(C)c1ncncc1B(O)O)C1(C)CC1	2004916608	NIVKIJDFBHUTFS-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CC(F)C2)C1	2004928505	DUNGYXRFWCZZFG-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2CO3)ccc1B(O)O	2005014988	UOXNSAOBZRHQKJ-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H]2F)cc(B(O)O)c1	2006986228	CRMOWTBCFQVZNC-UWVGGRQHSA-N	237.039	-0.029	50	10	BBGE	
CCN(C)[C@@H]1CCN(CC(=O)NNC(C)=O)C1	2019219739	PVMPWXQLPCVAOV-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccccc1B(O)O	2022196232	JHFPLSKNACHIRT-VIFPVBQESA-N	229.044	-0.786	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1ncc(B(O)O)cn1	2025753100	NYXIVYVACXQKKB-XCBNKYQSSA-N	239.059	-0.659	50	10	BBGE	
COC[C@@]12C[C@H]1CN(c1ncccc1B(O)O)C2	2052490416	CLHJMDJHOLXIGO-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
Cc1cc(N(C)CC2CN(C)C2)ncc1B(O)O	2052623186	GAMGCEKQGZUESY-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@H](C)[C@@H]2C)n1	2052623508	KGJMRZNCCNTPOZ-CIUDSAMLSA-N	249.123	-0.054	50	10	BBGE	
Cc1ccnnc1COc1cncc(B(O)O)c1	2072595989	MNTDGSGCECXVAY-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn2nccc2c1	2076076295	METQNPZLBFGXDH-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
O=C1CCC2(CN(C[C@@H](O)CCl)C2)N1	2209948463	ZJBTUEGTVQCQNO-ZETCQYMHSA-N	218.684	-0.450	50	10	BBGE	
OB(O)c1cnc(=NCC2CC(Cl)C2)[nH]c1	2212604586	QWVUISXQAIOEIQ-UHFFFAOYSA-N	241.487	-0.992	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1cc(B(O)O)ccn1	2212607366	KHGCGNPYIVSLMY-VXNVDRBHSA-N	223.037	-0.825	50	10	BBGE	
C=CC1(NC(=O)c2cccc(B(O)O)c2)CC1	2217052086	PFQMPLFHLDELMN-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
CCC(N)(CC)COc1ncc(B(O)O)cn1	2217191918	VXKIFSPALFQCMA-UHFFFAOYSA-N	239.084	-0.947	50	10	BBGE	
C[C@@]1(O)CC[C@H](Nc2ncccc2B(O)O)C1	2217194732	CGDIPQXYDRVNCW-GZMMTYOYSA-N	236.080	-0.523	50	10	BBGE	
N[C@H](CNc1ncccc1B(O)O)c1ccco1	2223633774	AXLDHPQCSKVPAS-SECBINFHSA-N	247.063	-0.534	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3CC[C@H]2N3)c1	2223638279	VMYLIYHNOKOZIY-GMTAPVOTSA-N	247.107	-0.544	50	10	BBGE	
CN(C)C[C@H]1C=CCN1c1cc(B(O)O)ccn1	2223680116	YVOGDSMWARWVGG-LLVKDONJSA-N	247.107	-0.932	50	10	BBGE	
C[C@H](CF)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2241733492	ZFZWGIBCBFOILZ-DSYKOEDSSA-N	203.022	-0.334	50	10	BBGE	
N#CCN(CC#N)C(=O)C1(B(O)O)CCC1	2243347167	ILFMCCKIIOUMNI-UHFFFAOYSA-N	221.025	-0.741	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)C(=O)C#CB(O)O	2243356286	FEGKGVAYADOMRS-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21)C1(B(O)O)CC1	2243359452	TYJGIVYWHNQAPK-MAUMQABQSA-N	221.065	-0.140	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)C#CB(O)O	2243362161	NBPQHVJLRPPSBR-UTLUCORTSA-N	221.065	-0.209	50	10	BBGE	
N=c1[nH]cc(CNC(=O)C2(B(O)O)CC2)s1	2243365830	STCWXERAKNPFPN-UHFFFAOYSA-N	241.081	-0.821	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@H]1CF	2243378216	OVTJGZDMYXTAGC-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243381873	JXGBEPDPBKOFDQ-XSPKLOCKSA-N	227.069	-0.610	50	10	BBGE	
C[S@](=O)CCCCNC(=O)C1(B(O)O)CC1	2243409723	NNNBKKBQSIXLSL-INIZCTEOSA-N	247.125	-0.732	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccsc1B(O)O	2243410146	WACYQOVNBDKVBZ-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
CN(CC(C)(C)N)C(=O)C1(B(O)O)CCC1	2243410592	DVAUFYVZIOJOTK-UHFFFAOYSA-N	228.101	-0.421	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C(C)(C)CN	2243413837	OHHSKRPURPVEDG-UHFFFAOYSA-N	228.101	-0.565	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1csc(B(O)O)c1	2244143297	JFVQYDRFQMWLGF-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
CC#CCOCc1nn(C)cc1C(=O)NN	2245364761	IUGRGVHKPXDOKS-UHFFFAOYSA-N	222.248	-0.437	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(CCF)C1	2247744101	NPVNQTSYZXLWDA-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1ccc(B(O)O)o1	2247744513	UHTLNEBKYUAEHE-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
CC[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747643	QMTJDZLYJDQSMO-JGVFFNPUSA-N	238.096	-0.141	50	10	BBGE	
CC(C)N(C)C[C@H](C)NC(=O)C1(B(O)O)CC1	2247754477	DRZZBTKTXBXDMC-VIFPVBQESA-N	242.128	-0.162	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797336	IOCZBAIPWVXJBA-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
Cc1ocnc1CNC(=O)C1CC(B(O)O)C1	2247797775	MRHGWJUZKFTWIQ-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
CN(C)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247806145	MFTVXFDGRKEVFM-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCNCC1	2247807350	QROFCMHHNJBRBB-NXEZZACHSA-N	240.112	-0.550	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1CC[C@@H]2O)C1(B(O)O)CC1	2247853087	GGCWKYMYFALFNO-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247858865	IRKHOXLPNLRCDC-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
CCC1(F)CN(C(=O)c2ccoc2B(O)O)C1	2247868090	CDRBLSMWLAKDRB-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2247869184	NJDTZTPKRKTJEW-MRVPVSSYSA-N	236.080	-0.464	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1C	2247896638	IJCOMFXKWFJJNS-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)C(=O)C1CC(B(O)O)C1	2247904912	RKYRSSFWXUSCHI-RGWUEKKESA-N	241.096	-0.267	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586238	XWXCTYYYBVDDFB-OOJXKGFFSA-N	241.052	-0.924	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2248586983	KGGGAKQBQWERKN-BWZBUEFSSA-N	241.052	-0.781	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248587712	TVFSTJGENDBMOD-CSMHCCOUSA-N	243.068	-0.678	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)C)C[C@H](C)O	2250542641	KBPKOSSEBKZPPH-UWVGGRQHSA-N	247.339	-0.670	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1F	2255497966	KKGJNYPJJRDJAO-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)[C@H]1CC=CCC1	2255551919	DQMLMBPTOUOQAQ-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCc2c[nH]nc2C1	2255570081	BZVBHQVZMALLJD-KYZUINATSA-N	249.079	-0.453	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255674967	SMGNGHLCUREWND-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
C=C1CCN(C(=O)c2cccc(B(O)O)c2F)C1	2255724964	SEXJKQNXWLCMRJ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2cnoc2)n1	2255725340	MMYJQKVZYOFATJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cccc(C)c1B(O)O	2255735484	VBCPRVKOKMWBST-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1O	2255936445	KAQJZCHXRMCNRQ-MRVPVSSYSA-N	249.075	-0.304	50	10	BBGE	
O=C(NC[C@H]1COC2CC1C2)[C@H]1C[C@H]1B(O)O	2298368454	FLVMFYYMUHRCHP-SYEZBEBOSA-N	239.080	-0.610	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298375407	IQPZZXRFDYHZON-MQIGXGKASA-N	238.096	-0.813	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@H](CO)C1	2300397577	SSKGHXROECIDBR-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1occc1B(O)O	2301202351	UPDQBTNEEOMMSY-QMSLJYSESA-N	237.064	-0.266	50	10	BBGE	
CCCn1nnnc1CN1CC[C@@H](B(O)O)C1	2303131985	DQODAYBEBKNLRN-MRVPVSSYSA-N	239.088	-0.868	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2304251292	HTPJKEFILXMFNA-JLIMGVALSA-N	241.096	-0.533	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@H]1[C@@H](O)C2)C(=O)NN	2306282673	FJODWFVQJAADDM-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1B(O)O	2312612325	QOVYIUSRWWCKFW-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
C#C[C@H]1N(C(=O)c2cc(B(O)O)co2)CC1(C)C	2314514632	LNEQLQGNQUROPB-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
CC(=CCNC(=O)c1c[nH]nc1B(O)O)C1CC1	2315254784	SESMEPSPBYXJAO-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
Cc1ccc(CN(C)C[C@H]2CCO2)cc1B(O)O	2318628777	FVJNTBLVUONTPN-GFCCVEGCSA-N	249.119	-0.104	50	10	BBGE	
CC(C)N1CC(CNc2cc(B(O)O)ccn2)C1	2319305355	DOFAHGKVJNXNIZ-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
NNC(=O)C(=O)N1CCCc2ccccc21	36948200	MNYSMCMGZMALSS-UHFFFAOYSA-N	219.244	-0.044	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1cnc2c(=O)[nH]cnc21	39236131	HXGQCEDCMHGXAE-BYPYZUCNSA-N	242.622	-0.188	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)NN	42452327	BWGOHYDIGZNVBI-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)c1ccccn1	49828078	XKTQXQZNQSZVMG-SECBINFHSA-N	236.275	-0.174	50	10	BBGE	
C[C@@H](CNC[C@H]1CCCO1)C(=O)NN	58854786	YNQJLBIMYUTSOU-JGVFFNPUSA-N	201.270	-0.619	50	10	BBGE	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)NN	82464696	SRZXAKOIZVTYME-YFKPBYRVSA-N	226.192	-0.253	50	10	BBGE	
CN(CC(=O)NN)Cc1cscn1	82469428	HJTKYMIFMISUSR-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](C)CC(=O)NN	82469860	AIUMLHZZKHENFU-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
COCCN(C)Cc1ccc(C(=O)NN)o1	82470601	UEXDBDIVGXHVCN-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
CC(C)n1c(N)nnc1SCCC(=O)NN	82472623	LDSYWKJOOWGBBZ-UHFFFAOYSA-N	244.324	-0.087	50	10	BBGE	
NNC(=O)CCCSc1nc(N)cc(N)n1	82472906	SUGPCDVMJYLEJS-UHFFFAOYSA-N	242.308	-0.497	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1n[nH]c(N)n1	82472951	WUHLUHXHWBSCQC-GSVOUGTGSA-N	216.270	-0.753	50	10	BBGE	
NNC(=O)CCCCCn1nc(O)ccc1=O	83682794	PQQNPLOUPIJXMT-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
C[C@H](CN1CCC(C)(O)CC1)C(=O)NN	88023273	SSVYIIBYRNRWFE-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H]1C(=O)NCCN1CCCCC(=O)NN	110689191	LHWKCOJNTHGIMG-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
Cc1cc2c(=O)n([C@H](C)C(=O)NN)ccn2n1	130764924	IGMQRABWIDPIPV-SSDOTTSWSA-N	235.247	-0.645	50	10	BBGE	
CCSCC[C@@H](C)NC(=O)C(=O)NN	134151568	BBPFBGZXOYWUMJ-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H](O)CCl)C1=O	157830250	SEQONSXOGYYJGP-WDSKDSINSA-N	205.641	-0.019	50	10	BBGE	
CC[C@H](B(O)O)N1CC[C@](N)(CC)C1=O	195895552	HUOKOGYFAKXCGK-VXNVDRBHSA-N	214.074	-0.883	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H](N)C2)c1	203221029	CQYCXSLINNJENX-NSHDSACASA-N	234.303	-0.177	50	10	BBGE	
CC(C)(C)ONC(=O)c1cc(B(O)O)cs1	216748049	RQZGAGSIRGMIRK-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
O=C1N[C@@H]2[C@@H](O)[C@H]1C[C@H]2Br	238722087	ZBBRHTADBLAAFF-MBMOQRBOSA-N	206.039	-0.371	50	10	BBGE	
NNC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1	258792670	QHQOIEVNQDYSKQ-UHFFFAOYSA-N	221.220	-0.471	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1cccc(F)c1	259139481	TUCDWHFLKLLHLK-SECBINFHSA-N	211.240	-0.054	50	10	BBGE	
CC[C@H]1CCN([C@H](COC)C(=O)NN)C1	300000179	ZCOHXLCZWGDNSK-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@H](SCC(=O)NC(C)C)C(=O)NN	300892566	UUGASGOYOGHYHM-SSDOTTSWSA-N	249.336	-0.751	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)NN	304475932	BDGCLSMFSJEVAC-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)C1(C)C	308872876	ZSQQXARLIMKVKW-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
Cn1cc(CNC(=O)NC(=O)CCCl)nn1	389825135	PFVBWOGBRCSIGN-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
CN1C[C@H](NC(=O)CCCCl)C(=O)N1	393908004	RJSCGMLNXVRWRB-LURJTMIESA-N	219.672	-0.533	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H]1CN2CCN1CC2	394760692	SMVLWRJAQSSTGK-ZJUUUORDSA-N	245.754	-0.023	50	10	BBGE	
CC(C)(CCSCC(N)=O)C(=O)NN	395697512	FSBNTTFDJWWOFF-UHFFFAOYSA-N	219.310	-0.389	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1CO	396035544	APCFVZJVVKIPHT-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
N#Cc1cc2cc(B(O)O)sc2cc1CO	396219966	KYPWRDSWLXNBFX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
NNC(=O)CCN(CCCO)C1CC1	404256359	RRZCTXFAVARHMW-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C=CCNC(=O)Nc1cc(C)cc(B(O)O)c1	405086169	PODIIYJYFVPKON-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
CN1C(=O)N[C@@H]2[C@@H](Br)CNC[C@H]21	605691635	NZGCYQKKWMFNDY-KVQBGUIXSA-N	234.097	-0.255	50	10	BBGE	
C[C@@H](CN(C)Cc1cccnn1)C(=O)NN	700700508	NQJWWENIQBYFLO-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CN(C)CC(=O)NN)[C@H]1C	701354841	OLYWJKRQEAZSOL-QEYWKRMJSA-N	229.324	-0.032	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cccnn1	701794526	DEBRLRQCIFRSPO-LURJTMIESA-N	243.650	-0.013	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCC(F)(F)C1	702017309	LFPVKQDXUMZMIR-YFKPBYRVSA-N	206.985	-0.450	50	10	BBGE	
CC(C)(C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703470264	QXEAIIGMUXPDGN-WDSKDSINSA-N	226.232	-0.833	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]2(C)CN(C)C[C@]2(C)C1	706290637	RQUCMFBMHUMBQU-YUSALJHKSA-N	240.351	-0.362	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)C(F)(F)F	706972872	OYKAVKANNLXWSL-GSVOUGTGSA-N	229.158	-0.222	50	10	BBGE	
C[C@H](C(N)=O)N(C)C(=O)CBr	711184071	HKTYWZXTWROASW-SCSAIBSYSA-N	223.070	-0.287	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2C[C@H]2C1=O	715701199	KSZXHTNVXJICMC-JGVFFNPUSA-N	235.243	-0.139	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718901146	FXUSIGAUBRTTKH-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)C1=CCCC1	760540314	MUYMVCRESZNSAU-UHFFFAOYSA-N	221.220	-0.324	50	10	BBGE	
O=C(C[C@@H]1CCCO1)NNC(=O)c1ncon1	1134613645	ACOKIYVYDALRMI-LURJTMIESA-N	240.219	-0.600	50	10	BBGE	
CNC(=O)NNC(=O)c1cn(C)nc1COC	1136378776	NQVUWBLKSMOSNV-UHFFFAOYSA-N	241.251	-0.860	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)CC1COC1	1293204081	VGSARIIMGLABPZ-UHFFFAOYSA-N	238.247	-0.864	50	10	BBGE	
COc1ccnc(CNC(=O)NN)c1F	1330519171	JPVOFLBCCXFIHL-UHFFFAOYSA-N	214.200	-0.098	50	10	BBGE	
CC(C)(C)n1nnc([C@@H]2CC(=O)OC2=O)n1	1535717301	UPMTVIRQFMXMKH-YFKPBYRVSA-N	224.220	-0.015	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1877395147	XSYRLSGSQAZFEB-BZNPZCIMSA-N	204.701	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H](OCCC(=O)NN)CCO1	1878005239	GEVRXSPKPLHHFT-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CN1CCN(C(=O)F)C[C@@H]1C(N)=S	1882786582	BLMCNVBPKZPGDF-RXMQYKEDSA-N	205.258	-0.022	50	10	BBGE	
O=S(=O)(CCCl)NCCSCCO	1886526900	INEKAACYTZYHCE-UHFFFAOYSA-N	247.769	-0.130	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1888621437	HYPNAAOATVTKLY-ZYNSJIGGSA-N	211.290	-0.247	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)CC(=O)N1	1893469963	OASYSZFEYDVMCE-UHNVWZDZSA-N	216.624	-0.901	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1893937153	JEAKCSOBKPZJOE-XAVMHZPKSA-N	213.281	-0.669	50	10	BBGE	
CC(C)=CCNC(=O)c1cnsc1B(O)O	1900466014	AAEYWSXSFKZRFH-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CN(NC(=O)CCC1CC(N)C1)S(C)(=O)=O	1901341547	WRQHFAYQFFGBHI-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1CN	1901341595	XHTDNGVCVKPAOA-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H](CC1CNC1)C(=O)NN(C)S(C)(=O)=O	1901375551	NJHUXEVWBIRZRU-ZETCQYMHSA-N	249.336	-0.845	50	10	BBGE	
CN(NC(=O)[C@@]12CC[C@@H](CN1)C2)S(C)(=O)=O	1901377812	SYSFJXBEKGMADD-APPZFPTMSA-N	247.320	-0.949	50	10	BBGE	
C[C@@H](COCC1CCN(C)CC1)C(=O)NN	1901437833	BZKOZCLYKFCKLX-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2CCCO2)C1	1902517151	GYWVKYZQMGNGQK-WPRPVWTQSA-N	227.069	-0.369	50	10	BBGE	
OB(O)c1csc(CN2CC(CCF)C2)n1	1902637762	QCRYNSLHCNCRRJ-UHFFFAOYSA-N	244.100	-0.386	50	10	BBGE	
O=C(Cn1cnnn1)N1CC=C[C@H]1CCl	1909251443	PEPPHTBHNOEJDF-ZETCQYMHSA-N	227.655	-0.321	50	10	BBGE	
C[C@H](CN1C=CS(=O)(=O)C=C1)C(=O)NN	1910220488	DZYFNWJAZOOBOK-SSDOTTSWSA-N	231.277	-0.715	50	10	BBGE	
CC[C@H]1CCOCCN1CCOCC(=O)NN	1913641536	LFRQVMLTCYVTTR-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)C2(CCC2)C1)C(=O)NN	1914019219	NSGVIKHADFJEGT-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
NC(=O)N1CC(NC(=O)NC(=O)CCCl)C1	1917792195	WIGONRVQZLDRMY-UHFFFAOYSA-N	248.670	-0.796	50	10	BBGE	
OCCCN(CCCO)C[C@H](O)CCl	1922163279	SMOIRUYHWUZKKX-SECBINFHSA-N	225.716	-0.347	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154509	GQTDPNKJIUUITQ-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)COCCN1CCC2(CC2)C1	1928178394	FZJJYJVETGROMW-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@@H]1C	1929939920	UTHZZIRWGMHCGJ-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(CC1[C@H]2CCC[C@H]12)C(=O)C(=O)NN	1930487432	YFCVRSMYKZGRMV-BQBZGAKWSA-N	211.265	-0.519	50	10	BBGE	
CC1(C)SCC[C@H]1CNC(=O)C(=O)NN	1931176734	HFMKJULWSLXJOZ-LURJTMIESA-N	231.321	-0.376	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC(F)F	1932582595	VTZPULMDDRPWDA-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094886	RBNXUXCWZOODSQ-AEJSXWLSSA-N	226.324	-0.752	50	10	BBGE	
O=C(CCCl)NC(=O)NCCn1cnnn1	1937284507	QUPPDOJPOPFVAZ-UHFFFAOYSA-N	246.658	-0.872	50	10	BBGE	
CN1CCN(CCCC(=O)NN)C(C)(C)C1	1937790996	MLESBOHMKFGQEI-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1938364377	DIBMHTGZOICJKZ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@H](Cl)C(=O)O)C[C@@H]21	1939088048	MHSBNUUZJUUUMJ-XHNCKOQMSA-N	248.710	-0.307	50	10	BBGE	
CN(Cc1cnn(C)c1)C[C@@H]1C[C@H]1C(=O)NN	1941081395	XFRIUVHREQUVTD-VHSXEESVSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC12CCOCC2	1941087264	MFIZBUDGQVLBLO-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2nccc2C1	1941177939	KIJYYLJRTNFNMQ-BDAKNGLRSA-N	237.307	-0.287	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1[C@H]1CCOC1	1941373144	ODHJDWNJPAOXKL-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCN(C2CC2)CC1	1941991476	LBILMGRGJMGXJE-SECBINFHSA-N	240.351	-0.077	50	10	BBGE	
CN(C)C(=O)OC1CCN(CC(=O)NN)CC1	1942662824	OEUCNCFPOGRCPP-UHFFFAOYSA-N	244.295	-0.861	50	10	BBGE	
COCC[C@@H]1CN(C[C@@H](C)C(=O)NN)CCO1	1943667949	DEGXVBLARIXHDM-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CC(C)n1nccc1Cn1ccc(B(O)O)n1	1945467862	GDRKMRZJFWXBOB-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
COC[C@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1946479890	XUXASEVNABLIRB-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955547286	NEUSUARMBVJHRE-ZTKNNBQKSA-N	216.668	-0.457	50	10	BBGE	
CSCC1CC(NC(=O)C(=O)NN)C1	1956620086	CJCPNAQHGRUVPK-UHFFFAOYSA-N	217.294	-0.766	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)[C@H]2COC[C@H]12	1958122897	QNPNPPQZEKHJOB-XFWSIPNHSA-N	235.711	-0.068	50	10	BBGE	
CN(CC(=O)NN)[C@H](CC#N)C(F)(F)F	1960095782	ZCKCOPRHKWBJEC-RXMQYKEDSA-N	224.186	-0.247	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CC(n2ccnn2)C1	1961265879	UYTHSHKYZJPGKG-SSDOTTSWSA-N	230.655	-0.173	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CCO2)C1	1961521059	SOURFURBKCPPPP-HTQZYQBOSA-N	213.281	-0.524	50	10	BBGE	
C=C1CON(c2ccncc2B(O)O)C1	1961681643	VKKUJPKZSVFWGO-UHFFFAOYSA-N	206.010	-0.931	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]2C1	1961694190	KZEXWDPXNPNOFU-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCC[C@H]1F	1962628323	BISSXKXMVNAEAB-RNFRBKRXSA-N	217.244	-0.285	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)nc1	1962721056	CYMNGDGYHKUHDB-OCAPTIKFSA-N	240.018	-0.537	50	10	BBGE	
O=C(NC1(CO)CCC1)c1ccc(B(O)O)cc1	1963752466	IUAGXCJVWHCFQF-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
O=C(c1cc(=O)cc[nH]1)N1CC[C@@H](B(O)O)C1	1964510023	HUTJAXXMLOPKKJ-SSDOTTSWSA-N	236.036	-0.936	50	10	BBGE	
C[C@H](CN1C[C@]2(C)C[C@]2(CO)C1)C(=O)NN	1978978943	DWWHWQZSGPWIPW-DVVUODLYSA-N	227.308	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@@H](CF)C1	1981247925	JBHQHEXFUMQDPK-YIZRAAEISA-N	233.287	-0.329	50	10	BBGE	
CCC1(C)CN(c2ncccc2B(O)O)C1	1981424759	XYGSTQBXJUHNGK-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@H]32)c(B(O)O)c1	1981468834	IYPAEEQYEBYTQD-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H](C)C2)n1	1981469254	PIMJYNSHEQPNAB-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
C=C[C@H](C)n1cnc2c(B(O)O)ncnc21	1982862407	GFACAEZZHNBLOM-LURJTMIESA-N	218.025	-0.747	50	10	BBGE	
C[C@@H](c1nccn1C)N1CC(=O)OC(=O)C1	1985319904	XVBWOCMMCSVEDJ-ZETCQYMHSA-N	223.232	-0.134	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cc(C(=O)NN)co1	1985740202	GOGXTEKHXDRMRQ-IMTBSYHQSA-N	225.248	-0.552	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1(CCO)CC1	1988602037	WGVRJFOQSIKZFV-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccccc1O	1991327256	OTHIAFHMSLAJHX-UHFFFAOYSA-N	221.021	-0.310	50	10	BBGE	
C[C@@]1(CO)C[C@@H](O)CN1C(=O)C=CC(=O)Cl	1991650986	QGSGDVVANOGDOS-XCBNKYQSSA-N	247.678	-0.348	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNC(=O)C12CC2	1991652423	NHDBYSWCDCYNFS-UHFFFAOYSA-N	242.662	-0.201	50	10	BBGE	
O=C(NCC#CB(O)O)OCCC(F)(F)F	1992124844	JSDLTSLNCOIMFI-UHFFFAOYSA-N	238.958	-0.320	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]1C1CCOCC1	1992970263	CZYHOYBIMAUFMI-HTQZYQBOSA-N	243.332	-0.087	50	10	BBGE	
CC(C)CN1CCN(CCC(=O)NN)CC1=O	1996755864	JYEDFRYZJDOVHF-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
Cc1nccn1CCN(C)[C@H](C)CC(=O)NN	1997479547	PTEOVMDIEMYMQI-SECBINFHSA-N	239.323	-0.108	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3CC(C3)C2)O1	1999982643	CRDZVXLFBLFTHH-WFBLGPOFSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)c1occc1CN1CC=C[C@@H](O)C1	2000933580	HLMBFWTWQNRLBJ-SECBINFHSA-N	237.259	-0.384	50	10	BBGE	
CC1(C)[C@@H]2CN(c3ncc(B(O)O)cn3)C[C@H]21	2004920378	JMWFNPPZKWZLOY-RKDXNWHRSA-N	233.080	-0.751	50	10	BBGE	
Cc1ncnc(O[C@]2(C)CCOC2)c1B(O)O	2004925362	POPSXVQUPRCPQB-SNVBAGLBSA-N	238.052	-0.977	50	10	BBGE	
CCOC[C@H](C)Oc1ncc(C)cc1B(O)O	2004935961	SHYSTSVQURVVNS-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)c(Oc2cccnc2)n1	2015498828	AMPNCAUNHSZPDR-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
COCC1CCN(CC(=O)NNC(C)=O)CC1	2019214567	ZFEBKTOXIKBGBU-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
Cc1ncnc(C)c1C(=O)NCC=CB(O)O	2020062549	SEQFFJMZGZIENV-UHFFFAOYSA-N	235.052	-0.609	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	2022195853	BTRWRSBXBRJDGH-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1cccc(B(O)O)n1	2025665193	ZLPZIQYGROCIOE-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cnco2)c1	2031811680	VUPLIGOSHXNSDX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C)c1nc(C)ncc1B(O)O	2052617672	HEPDDSRJGQFGLN-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3[C@H](C2)C3(C)C)n1	2052621922	NIBPPEDPYYJWKY-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CCN(C)C2)ccc1B(O)O	2052623729	AOQJZUAYCXEMOD-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
COc1nc(N2C[C@H]3C[C@@]3(C)C2)ncc1B(O)O	2052628304	YLSNWUMJNIATEV-HQJQHLMTSA-N	249.079	-0.989	50	10	BBGE	
COC[C@@]1(C)CCN1Cc1ccccc1B(O)O	2055902134	FITQIIWNXCNSGA-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1ccccc1F	2058161673	XPZKNCSXRSPFMP-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@H]2CCC[C@@H]21	2068482705	LAWVHMRYWKDPQJ-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1	2079008110	DUXAIYUWAOIELG-CMPLNLGQSA-N	249.075	-0.726	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COC[C@H]32)s1	2211078623	OBIAIFOZZBBRMX-VXNVDRBHSA-N	239.105	-0.742	50	10	BBGE	
C[C@H]1C[C@H]1COc1nccc(B(O)O)c1F	2212612957	KXSQMPFZNACHQI-BQBZGAKWSA-N	225.028	-0.065	50	10	BBGE	
C#C[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2212614788	HGBQROZYHKFHDW-SECBINFHSA-N	216.049	-0.779	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C=CCC2)[nH]c1	2212615849	VSZBNRLODFQIOI-SECBINFHSA-N	218.065	-0.439	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@H](CO)C1	2215772833	QFGPVUFMRKMYJQ-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](O)C[C@@H](F)C1	2215775491	HHRBCOZPMQIUST-DOLQZWNJSA-N	245.298	-0.593	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1O	2216531643	FAQVFQBNEAPTDY-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CN(C)[C@@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216535099	WGCALFWNVKYFMP-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CC=CCO2)nc1	2217176774	AGPAQQNVPDXGTF-JTQLQIEISA-N	234.064	-0.482	50	10	BBGE	
OB(O)c1ccnc(N2CCC(F)CC2)c1F	2217183940	PDPOSJISKGLGDX-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
OB(O)c1ccnc(NCCOCCF)c1F	2217184414	SMCWBKJGBVMNBY-UHFFFAOYSA-N	246.022	-0.702	50	10	BBGE	
CC1(CCCN=c2ncc(B(O)O)c[nH]2)CC1	2217199319	BRWCLSFOKPTQPM-UHFFFAOYSA-N	235.096	-0.430	50	10	BBGE	
CC[C@](C)(CNc1ncc(B(O)O)cn1)OC	2217199614	NVAKDGQQLAVIQZ-SNVBAGLBSA-N	239.084	-0.617	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@]23CC3(F)F)nc1	2217200899	VWWYLGMSWGZMET-SVRRBLITSA-N	241.006	-0.634	50	10	BBGE	
C[C@H]1CNCCCN1Cc1cccc(B(O)O)c1	2220061375	BOWMJVYYSNPADL-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCn2nccc2C1	2221569158	ZHBIJSOMEWMMLK-MWLCHTKSSA-N	249.318	-0.285	50	10	BBGE	
N#Cc1ccccc1Nc1ncc(B(O)O)cn1	2223628584	QYHGJUIWKWYEGJ-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
OB(O)c1ccnc(NC2([C@H]3CCNC3)CC2)c1	2223636893	NBGGHQHKZKOVRA-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C[C@]23CCOC3)c1	2223662076	SEJPIQBXESJBNT-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
CCc1cnc(CNc2ncccc2B(O)O)o1	2223667808	VDFLGRIOSANBEK-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@@H]2CC[C@H]21	2223669519	LBOVDKIGNQSFKF-IEBDPFPHSA-N	248.091	-0.889	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)ccn2)oc1C	2223670102	SQKQCDRDINQVJT-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
CN(CC(F)(F)F)C(=O)C#CB(O)O	2241472825	YEFBALIMFYPXJX-UHFFFAOYSA-N	208.932	-0.978	50	10	BBGE	
CCC[S@@](=O)N1CCC(B(O)O)CC1	2241741637	PQHNFPUVOQJOSY-CQSZACIVSA-N	219.115	-0.001	50	10	BBGE	
O=C1CCCN1C(=O)c1cscc1B(O)O	2243347601	OLITYILVRDYDEA-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
O=C(Nc1ccnnc1)C1(B(O)O)CCC1	2243350229	XUSRPTCUVIVIOY-UHFFFAOYSA-N	221.025	-0.188	50	10	BBGE	
O=C(C#CB(O)O)N1CC([C@@H]2CC2(F)F)C1	2243362859	XMLCTQRKSFMZMM-ZETCQYMHSA-N	228.991	-0.885	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2CCCC[C@H]21	2243362978	ZFHLWQVADBVDCB-OPRDCNLKSA-N	221.065	-0.303	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)CCO1	2243364990	GFPRPFHCWBTXRH-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC[C@@]1(NC(=O)C2(B(O)O)CC2)CCOC1	2243365695	QBFVOHXNCVDKSU-SECBINFHSA-N	227.069	-0.321	50	10	BBGE	
C[C@H](CO)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243380938	ASRKOAHLLIEKNE-BGZDPUMWSA-N	229.085	-0.628	50	10	BBGE	
O=C(C#CB(O)O)NCCCc1nccs1	2243400262	YFYOAQLKFTWBLG-UHFFFAOYSA-N	238.077	-0.793	50	10	BBGE	
C[C@H]1CN(C(=O)c2sncc2B(O)O)[C@H]1C	2243403755	CBPBCUQUQHPALO-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1sncc1B(O)O	2243415200	QDFWTLLSMBSGHY-ZCFIWIBFSA-N	240.093	-0.649	50	10	BBGE	
CC(C)(C)OC(=O)c1ccncc1B(O)O	2243460839	QZMNFWMGUPGROI-UHFFFAOYSA-N	223.037	-0.283	50	10	BBGE	
C#CC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2243666853	CMOXXMRFGCJWTF-QMMMGPOBSA-N	217.033	-0.823	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1CC(N)=O	2244149585	LYVDSNSONOUANH-QMMMGPOBSA-N	228.296	-0.904	50	10	BBGE	
CC1(C)CN(C(=O)c2cocc2B(O)O)C1	2244206373	VWZGEDYJGRQXHR-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
O=[S@@](NCCC#CB(O)O)c1ccccc1	2244536619	CVDSEDGNBUZOMM-MRXNPFEDSA-N	237.089	-0.296	50	10	BBGE	
CC1(OCc2nc(C(=O)NN)co2)COC1	2245010054	BJDRRQBYNGEBQH-UHFFFAOYSA-N	227.220	-0.416	50	10	BBGE	
CN(C)C(=O)N1CCC[C@@H](NC(=O)NN)C1	2245069593	ODJYVOKNFOLXOS-SSDOTTSWSA-N	229.284	-0.695	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)CCCF)n1	2247151152	BZJMWHVZIULCQK-UHFFFAOYSA-N	242.059	-0.434	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1coc(B(O)O)c1	2247723080	QECFEJSNEZCYQG-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)C1(B(O)O)CC1	2247754463	DNEJVNDPLFFAGR-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1occc1B(O)O	2247759278	ZPINKTXPSNLWKI-JIGDXULJSA-N	235.048	-0.655	50	10	BBGE	
COc1ccc(C(=O)NCCF)c(B(O)O)c1	2247768572	UTUVAFMYXABQEG-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1c[nH]nc1B(O)O	2247781486	LIBIIFLUSKWOSW-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
CC(C)C[C@@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790097	FQBGBICISNTCJZ-GUBZILKMSA-N	242.128	-0.271	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(F)F	2247803652	CCVAYMKJKCJORR-DSYKOEDSSA-N	248.038	-0.956	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247807935	JJEPJUYNIMZKCB-KBIXCLLPSA-N	238.096	-0.811	50	10	BBGE	
CN(CCC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2247847328	VRQOPQGHUSBWRH-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2247847350	WCYHFZRHHVOCHZ-SECBINFHSA-N	237.064	-0.828	50	10	BBGE	
C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@@H]1CN	2247856011	BMXUVEJXGXQZGP-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1occc1B(O)O	2247877312	GDAOUECWMKJSFD-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)C1(B(O)O)CCC1	2247877519	BMVBWGABMOEYHM-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247887795	RRSCOKMUWQMSJS-REIXXSIJSA-N	238.096	-0.811	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247896459	HFNHBVAJMJEDEO-YWVKMMECSA-N	241.096	-0.387	50	10	BBGE	
COC[C@]1(F)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898536	FJMMEDAOVPZXDS-NRPADANISA-N	245.059	-0.564	50	10	BBGE	
O=C(O)C[C@@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588443	CTWSHNKJGWQIAL-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1cc(B(O)O)co1	2249410247	MWHJDYHIKMAFNS-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
CC1(OC[C@H]2CCC[C@@H](C(=O)NN)O2)COC1	2250802084	CEAAFQBNRSWGHZ-BDAKNGLRSA-N	244.291	-0.281	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1ccncc1B(O)O	2255449501	NWBIWFGHRXOBDE-UFBFGSQYSA-N	248.091	-0.463	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1ncc[nH]1	2255468126	WJYBXUGLXHJYJR-VIFPVBQESA-N	247.063	-0.521	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1CC12CCC2	2255495430	CISLOKMTHXWTBB-JTQLQIEISA-N	248.091	-0.623	50	10	BBGE	
CC#CCCCNC(=O)c1cncc(B(O)O)c1	2255528830	CVYYVDXTKPIUNC-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
Cc1ccccc1NC(=O)c1n[nH]cc1B(O)O	2255547017	BXKQDPDCACAOPC-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1ncnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1C	2255569189	UJWBRFMGJPKUND-IUCAKERBSA-N	249.079	-0.427	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ncncc1B(O)O	2255691219	BXQZUKVBVUVBQJ-UHFFFAOYSA-N	249.079	-0.902	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncccc2B(O)O)[C@@H]1C	2255710266	IJTYQMLJPWLLEU-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2255716722	UGYYHAFUSLZBEU-QQRDMOCMSA-N	247.059	-0.560	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1cncc(B(O)O)c1	2255734946	KANZIWLIMBOZDY-LBPRGKRZSA-N	248.091	-0.224	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369341	RGUURIYXTIFBOG-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298374595	BYYUEDISVXQRSU-WHSYLGORSA-N	239.080	-0.779	50	10	BBGE	
CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376576	DUIHBSZIQCRIAE-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
COC[C@@H](C(=O)NN)N1Cc2cccnc2C1	2300094351	TZSXISRDYLGLNN-JTQLQIEISA-N	236.275	-0.598	50	10	BBGE	
O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@H](B(O)O)C1	2303102903	BIYVFCWMCIUBQA-AATLWQCWSA-N	239.080	-0.371	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2312612355	SFYGVFWIBMSJML-AUTRQRHGSA-N	248.091	-0.483	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@@H](O)C1	2317160900	JPYLCZHUGPVCTJ-DKTWLAJQSA-N	246.075	-0.579	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H](N)C1	2317164918	FSJLDVBVPVXLRU-GHMZBOCLSA-N	245.091	-0.470	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308261	JCDBCMNWTBSWDQ-INNHCVQGSA-N	249.075	-0.640	50	10	BBGE	
N[C@@H]1CC[C@@H]1COc1ccc(C=O)c(B(O)O)c1	2317310539	BQOBFEPJMPDXTA-BXKDBHETSA-N	249.075	-0.705	50	10	BBGE	
O=Cc1ccc(O[C@@H]2C=CCNC2)cc1B(O)O	2317351359	HCKIXLUZFPARPA-LLVKDONJSA-N	247.059	-0.914	50	10	BBGE	
Cc1nc(OCC2[C@H]3COC[C@H]23)ccc1B(O)O	2318951590	JPVUJPLLOJEKMB-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
O=C(NNC(=O)c1cccc[n+]1[O-])NC1CC1	49150339	PKOMIUVTJCUFCD-UHFFFAOYSA-N	236.231	-0.574	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCNC(=O)CC1	62101153	QTKGYUPXQRCUMC-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
O=C1CC[C@H](NC(=O)CCCl)C(=O)N1	82257484	RFYBDEBBIPDGHB-YFKPBYRVSA-N	218.640	-0.463	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1CO	82470383	JAAQHUDNSOWOSV-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](Cn1nnc(-c2ccco2)n1)C(=O)NN	110602507	HPEIZORZKREZDG-LURJTMIESA-N	236.235	-0.441	50	10	BBGE	
O=C(CO)NNC(=O)c1cn2ccnc2s1	188767965	MBBSLNJYGOVDJN-UHFFFAOYSA-N	240.244	-0.851	50	10	BBGE	
CC[C@H](C)NCC(=O)N1CCC[C@H]1B(O)O	201810206	NNZMNKCKCVRJKE-IUCAKERBSA-N	228.101	-0.623	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCOC1	211158019	PWQPFAGECADESC-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
[C-]#[N+]CC(=O)N[C@@H]1CCS(=O)(=O)C1	216708852	XFXUWGDHCCGJLN-ZCFIWIBFSA-N	202.235	-0.791	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2	223601126	CGKKIEULNHFYIG-RNJXMRFFSA-N	211.265	-0.471	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)[C@H]1CO	227215022	FSPFEALSQFIVPC-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
CO[C@H]1CCN(CCCCC(=O)NN)C1	234797732	IRZSLAUHUMVADY-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCOC(=O)c1cncc(B(O)O)c1F	238275073	ZCBQZLNGHYDOJE-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1C[C@@H](C)O	304544799	LJKPBHDBJVJGGE-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CNC(=O)C1CN(C[C@@H](Cl)C#N)C1	306532255	BNAUPEKLQMHWSI-ZETCQYMHSA-N	201.657	-0.205	50	10	BBGE	
OB(O)c1ccc(OC(F)(F)F)cn1	306852055	ROHZNXVJMILAQQ-UHFFFAOYSA-N	206.916	-0.340	50	10	BBGE	
O=C(CN1CCSSCC1)NCCO	308509568	KJLOKGHMJXONCQ-UHFFFAOYSA-N	236.362	-0.208	50	10	BBGE	
C[C@H]1O[C@H](CN(C)C)CC1=NNC(N)=O	379714212	JTMUOEXHTKFACI-RQJHMYQMSA-N	214.269	-0.250	50	10	BBGE	
CCOC1CN([C@H](C)[C@H](C)C(=O)NN)C1	383035953	GLUNLXGZBZTLGN-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384747499	MGOCTVYPRMMAGD-REIXXSIJSA-N	226.324	-0.753	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@H]2COC[C@@H]21	384772411	BQSZNHMARLHJGY-VGMNWLOBSA-N	227.308	-0.278	50	10	BBGE	
N=C(N)NCCSSC[C@H](N)C(=O)O	388806466	OPRDFOVCRQVJNG-BYPYZUCNSA-N	238.338	-0.737	50	10	BBGE	
NNC(=O)C(=O)N1CCCC12CCCC2	389568829	AZEIOKTZFUPVJD-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
OB(O)c1cccc(N2CCCC[C@H]2O)c1	390131547	KDCSEPAGBMFYLA-LLVKDONJSA-N	221.065	-0.325	50	10	BBGE	
O=C(CCl)Cc1ccccc1B(O)O	396094506	JLFIFDDZXOHMRJ-UHFFFAOYSA-N	212.441	-0.283	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1CCC=O	396096838	MXVNCNRVRQCPRX-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#Cc1cc(CO)c(B(O)O)c2ccsc12	396221003	MHLNAIFYFMGUNW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N[C@H]1[C@H]2C[C@H]1N(CC(=O)NNc1ccccn1)C2	400072869	ICQRUZZLIVQCSA-SBMIAAHKSA-N	247.302	-0.444	50	10	BBGE	
CSCCC(=O)Nc1ncc(B(O)O)s1	404977495	KHYLDLXDAWHOIC-UHFFFAOYSA-N	246.122	-0.486	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H](Cl)C2CC2)n1	697203274	DCJVTCOMGYGONN-ZCFIWIBFSA-N	229.671	-0.043	50	10	BBGE	
CN(CCOCCCl)C(=O)c1nnn(C)n1	697224277	VYVUFYIBBSBTIB-UHFFFAOYSA-N	247.686	-0.463	50	10	BBGE	
NNC(=O)CN1CC[C@H]2CC[C@@H](C1)S2	704298888	NZSXFMFWJZFSLR-SFYZADRCSA-N	215.322	-0.054	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C[C@H]1C	706114369	KASNZWKFNASLCT-UTINFBMNSA-N	229.324	-0.154	50	10	BBGE	
COCCOC1CN(CCCC(=O)NN)C1	707348281	ZGDNGMFJBJROAD-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CC1(C)CN[C@@H]1C(=O)N1CCC(O)(C#N)CC1	710124364	LJCZXMINGVVRJG-SECBINFHSA-N	237.303	-0.139	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718259316	LJSSFOXLHWHLDZ-VVULQXIFSA-N	225.292	-0.526	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@H](C2CC2)O1	722337652	OHWZRGCWRHSDSB-HTQZYQBOSA-N	227.264	-0.950	50	10	BBGE	
CCNC(=O)N(C)NC(=O)COCCOCC	780712323	QFYLCUGMIYLUPZ-UHFFFAOYSA-N	247.295	-0.268	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H](O)[C@H]1CCCO1	859287603	NNXXETHLGRROFA-RNFRBKRXSA-N	243.712	-0.358	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)Cc1cccnc1	900572688	HMRKOKOVPOSKMJ-WUWIAWFRSA-N	249.270	-0.292	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1119033370	MYXUCJODIYFMDB-RNFRBKRXSA-N	208.221	-0.320	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(C=O)n(C)n1	1119812351	ACWQZLVQLHSJTQ-UHFFFAOYSA-N	239.235	-0.851	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2cn[nH]c2)o1	1131740693	FGTDXCNIFHNXNJ-UHFFFAOYSA-N	245.198	-0.051	50	10	BBGE	
CSCC[C@@H](O)C(=O)NNC(=O)NC1CC1	1136412292	VQXCJJNFTRBPRM-SSDOTTSWSA-N	247.320	-0.407	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ncccn1	1469127670	MDIOTYAHFCPPRQ-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
Cc1nc(NC(=O)c2cccc(B(O)O)c2)n[nH]1	1584797679	MCXANCGCEDRLEM-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)c1cnsn1	1634277829	IRCPDHZTRVQMSY-RXMQYKEDSA-N	244.276	-0.682	50	10	BBGE	
N#CCCCNC(=O)NNC(=O)c1ncon1	1681525348	DWMZBKGOYJVRGX-UHFFFAOYSA-N	238.207	-0.683	50	10	BBGE	
O=S(=O)(CCO)NC[C@@H]1C[C@@H]1Cl	1881374690	VQFOLDOAUBDZHD-WDSKDSINSA-N	213.686	-0.475	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)CCl)C[C@H]1O	1882755669	GIEGVERYQBCAEN-RRKCRQDMSA-N	207.657	-0.120	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2Cl)CC(=O)O1	1883549565	BFEYGFJWKAYXPM-PHDIDXHHSA-N	203.625	-0.001	50	10	BBGE	
C[C@H](N)CS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883564066	PWBDFASKOOESQW-RRKCRQDMSA-N	226.729	-0.120	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(Cl)C1	1883649479	QYAYIPIGGCKAPO-UHFFFAOYSA-N	205.645	-0.890	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1C[C@@H](O)CN1	1884410906	WHUBMSXFDLUIOQ-DWYQZRHDSA-N	218.684	-0.405	50	10	BBGE	
O=C(NCC#CCCl)[C@@H]1CCS1(=O)=O	1884824904	HUHHBHQYBIUQLQ-ZETCQYMHSA-N	235.692	-0.468	50	10	BBGE	
N[C@@H](CC(=O)NC[C@H]1C[C@H]1Cl)C(=O)O	1893120955	ZJMNPCGZDJAFQG-PBXRRBTRSA-N	220.656	-0.468	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)[C@H](C)CC(=O)NN	1896480816	JFOIPUGDTXOIGE-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1899415242	UWXAZAGUPQAHCF-POBXSPIYSA-N	228.991	-0.838	50	10	BBGE	
Cc1nnc(CN2CC[C@@](C)(B(O)O)C2)o1	1902518638	VXMDCYZNTLRTMI-SECBINFHSA-N	225.057	-0.183	50	10	BBGE	
OB(O)c1cc(N2CCCCN2)ncc1F	1903006215	QCOWLOUAGGBBOZ-UHFFFAOYSA-N	225.032	-0.995	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1908890122	JZYXPMKOFANCLB-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@]2(CO)C1	1910387845	VGWVQRZTYPAUAT-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1CCCN(C)C1=O)C(=O)NN	1912226812	ZNSQOUJCOQQQDS-SSDOTTSWSA-N	214.269	-0.630	50	10	BBGE	
C[C@@H]1CCC(F)(F)C(=O)N1CC(=O)NN	1928327477	AGCBMFGSFPOTRW-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@]2(CO)C[C@]2(CO)C1	1928557757	YIUDQLAPAJGWSX-FXBDTBDDSA-N	233.695	-0.183	50	10	BBGE	
C[C@@H](Sc1nc(O)ncc1F)C(=O)NN	1929951930	GCINBKFPVHWZLK-GSVOUGTGSA-N	232.240	-0.208	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(CCO)C1	1932107317	CWNBHVVWXFTSPW-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1COCC[C@H]1C	1932314277	UIRYKGQEGBSAQR-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)CCn1cnnn1	1937147452	WZNNQHUJDDZDMO-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)cn2)nc(C)n1	1941976624	MELGDVPGMUBVJQ-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC(CO)C1	1944081302	ZIMWXVLTQRRKMU-NSHDSACASA-N	235.287	-0.358	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](O)[C@H]2C1	1945658218	JSJMBBPDKSCIEI-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CN(C)NC(=O)N[C@@]1(CCC(=O)O)CCOC1	1947412444	DDOJHCAGJYIKOG-JTQLQIEISA-N	245.279	-0.214	50	10	BBGE	
NNC(=O)CCN1CCC2(CCC(O)CC2)C1	1950168393	XJPMKJKLFMOTOQ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CCn1cc(NC(=O)NCB(O)O)cn1	1951322220	YLWCJEXMHZZHPR-UHFFFAOYSA-N	212.018	-0.964	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955547285	NEUSUARMBVJHRE-VCQFTWBDSA-N	216.668	-0.457	50	10	BBGE	
CC[C@H](Cl)C(=O)NC1CN(C(N)=O)C1	1955571946	MKEMYDJOQSEDMB-LURJTMIESA-N	219.672	-0.117	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1958700458	CUXTVPNEKLBWGB-PHDIDXHHSA-N	211.225	-0.805	50	10	BBGE	
CON([C@@H](C)CC(=O)NN)[C@@H]1CCOC1	1960123223	BBMSYOYBTHPABG-JGVFFNPUSA-N	217.269	-0.593	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCS(C)(=O)=O	1978304639	SVOVAEOHNXBXGA-UHFFFAOYSA-N	244.077	-0.944	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@H](C)CC(=O)NN	1978306391	WRSADFNRVJDBNK-SCZZXKLOSA-N	229.324	-0.010	50	10	BBGE	
N#CC1=CCN(C(=O)CC[C@H](O)CN)CC1	1979410138	PEQWWNXBXNBSAD-JTQLQIEISA-N	223.276	-0.232	50	10	BBGE	
O=C(Cn1cnnn1)N1CC([C@H](F)CCl)C1	1979534900	SVLDEKQSKQMJDF-SSDOTTSWSA-N	247.661	-0.292	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@](=O)C[C@@H]1C	1981191247	IGTXPJIFJZOGSQ-DRTKUVKGSA-N	247.364	-0.546	50	10	BBGE	
CCON(c1ccncc1B(O)O)C(C)C	1981408809	FMYUYXBTVGMHES-UHFFFAOYSA-N	224.069	-0.072	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1ccncc1B(O)O	1981409412	MHZYLOJNPCQBSX-WCBMZHEXSA-N	220.081	-0.004	50	10	BBGE	
CC(C)[C@H]1CCN1c1ccncc1B(O)O	1981410131	WDBJZPGGIRDYDJ-SNVBAGLBSA-N	220.081	-0.004	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1C[C@@H](C)C(=O)NN	1981411046	GSXYYJWUGWODOX-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
COC[C@]1(F)CCN([C@H](C)CC(=O)NN)C1	1984647547	XRUYXOKGMHFTOE-SCZZXKLOSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CCOC[C@H]2C1	1986817453	YGAOHLUXAKBZPO-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(O)(c2cccs2)C1	1989950427	ZMIKHLCWUPIIFM-ZETCQYMHSA-N	241.316	-0.370	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	1990775235	SXDHNXPZANNBCY-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CCOC1	1991327429	QEBPKSYEDGNREG-IONNQARKSA-N	225.053	-0.760	50	10	BBGE	
CN(C[C@]1(O)CCOC1)C(=O)C=CC(=O)Cl	1991661365	AHPYUOOPOPNHAZ-SNVBAGLBSA-N	247.678	-0.082	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)/C=C/C(=O)Cl)C1=O	1991703345	GGYQWQRJQIFZBV-HRJJCQLASA-N	244.634	-0.819	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cncc(C(=O)NN)c1	1996573502	AWWHYRPRGBDNBW-ZETCQYMHSA-N	234.259	-0.194	50	10	BBGE	
CC1(C(=O)Nc2ccc(B(O)O)cn2)CCC1	1996646374	TZNOQPNJXQXUDZ-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2CC(F)(F)C[C@H]2C1	1997627028	BNHRLCSPNFCPEU-KVSKUHBBSA-N	247.245	-0.084	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@]1(C)COC	2002851874	ZTSPGMCHAOLHFU-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
Cc1nnc2n1CCN(CCCC(=O)NN)C2	2003923094	PXGGLAYVQIVRDA-UHFFFAOYSA-N	238.295	-0.828	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1c1ccnn1C	2004397880	AZKPRCDLFPGYBN-PSASIEDQSA-N	237.307	-0.065	50	10	BBGE	
COC1(Cn2cc(B(O)O)ccc2=O)CCC1	2008844109	JXPXBBAJNAGFGG-UHFFFAOYSA-N	237.064	-0.903	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975643	RRLRQGOWVCXYQL-HPENLJRUSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2OCC[C@@H]2F)c1	2009181661	KXPGHMINVFIQLQ-WDEREUQCSA-N	240.039	-0.128	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	2012639082	GMBYIBHJKUZEFZ-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
COCCCCOc1nccc(C)c1B(O)O	2014224016	JMMBDFPGGKTGDE-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CN(CCCn1ccc(B(O)O)n1)C(C)(C)C	2017925080	CDSZEGKGBSIAKO-UHFFFAOYSA-N	239.128	-0.317	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(C)CCOCC1	2019207085	BQFWYUITBBLMGL-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@@H]21	2022196646	PEXPLPCWTGLZFZ-KOLCDFICSA-N	231.060	-0.399	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1C[C@H]2C[C@H]2C1	2028425373	HDGMBNWBMZELCB-DTORHVGOSA-N	246.075	-0.150	50	10	BBGE	
Cc1ccnc(N2CCN(C)C[C@H]2C)c1B(O)O	2052473572	UGMZRHWCQIXBIN-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
N#Cc1cnn(Cc2ccc(C(=O)NN)nc2)c1	2056638453	XRCSVWVODNEVFF-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
O=Cc1cc(Cl)c([N+](=O)[O-])c(B(O)O)c1	2060131635	LNOUZDLIGQQYPV-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccc2ncnn12	2064369523	PMLCLHNBOYMEBQ-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
O=C1CC/C(=N/NC(=O)C(F)(F)F)CN1	2079649257	MTQNQANAGBKCLS-QCDXTXTGSA-N	223.154	-0.069	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H](CO)CC1CC1	2210715986	BHCNEKLKNCOCSS-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
N[C@H]1CC[C@H](Oc2ncccc2B(O)O)C1	2212599902	PKGFMWOZBNZODZ-YUMQZZPRSA-N	222.053	-0.980	50	10	BBGE	
Cc1cnc(N2CC(F)(F)C2)cc1B(O)O	2212605548	GUOUKGFEALRIHB-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2215132952	ISRINPNCGGBCQT-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@](F)(CO)C1	2215770635	CTNSNEWFMVQMFI-FXPVBKGRSA-N	245.298	-0.591	50	10	BBGE	
Cc1ccn(CC2(C(=O)NN)CCC2)c(=O)n1	2216541435	YJQOSDHPLSBAPO-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
Cc1cnc(O[C@@H](C)C2CNC2)cc1B(O)O	2217173316	OIYKMTGYOHNYLB-QMMMGPOBSA-N	236.080	-0.943	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)C1CCC1	2217178291	UDWSZMLZRFPKOG-MRVPVSSYSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1cccnc1OCCNC1CCC1	2217185803	BNTXBTZFSPXHAG-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1C[C@H](Nc2nccc(B(O)O)c2F)CO1	2217186916	QKNMEEUQSRFOCO-RQJHMYQMSA-N	240.043	-0.510	50	10	BBGE	
CCC[C@@H](CN)Oc1nccc(B(O)O)c1F	2217193030	RAZTWCFKLUVZGB-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
NC[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217199554	NFZZXHJUZAMTME-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)CC[C@@H]1N	2223643781	AFAUSXWYHZKZMA-JTQLQIEISA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2CCCC[C@H](N)C2)cc1B(O)O	2223646197	HPTONMFQEINWQA-JTQLQIEISA-N	249.123	-0.613	50	10	BBGE	
CC1(C)CC[C@@H](Nc2ncccc2B(O)O)CN1	2223649691	BWSVFQBNCBRBIJ-SECBINFHSA-N	249.123	-0.296	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(c1ccc(B(O)O)cn1)C2	2223672569	BIMJTXQKFVHRRX-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
CCC[C@@]1(Nc2ncccc2B(O)O)CCNC1	2223675535	RRTGEAMGHNXPIS-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
C[C@H]1OC2(CNc3ncccc3B(O)O)CC1C2	2223676297	ZKOOMPSKHNXDAY-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
O=S(=O)(NC[C@@H]1CCO1)N1CC(Cl)C1	2241332710	WYYGOQBIJUNZIX-ZETCQYMHSA-N	240.712	-0.467	50	10	BBGE	
CON(C)c1cc(B(O)O)c(Cl)cn1	2242391240	AXPSQGMVNNSKGL-UHFFFAOYSA-N	216.433	-0.588	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)[C@H]1CCCO1	2243356783	MUWHAKLNUJORTK-MRVPVSSYSA-N	225.053	-0.924	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ncsc2B(O)O)C1	2243359719	WTOGIJLVFOJPOT-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccoc1B(O)O	2243362186	NGBBPKCMQBCTOP-CAHLUQPWSA-N	227.000	-0.953	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1sccc1B(O)O	2243362561	SSBMHBSYQBMAFL-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
O=C(Nc1cncc(F)n1)C1(B(O)O)CC1	2243363930	ONCSXNKWQJPYBD-UHFFFAOYSA-N	224.988	-0.439	50	10	BBGE	
CCON(C)C(=O)c1sc(C)cc1B(O)O	2243382740	RFKMHTIYLJHREF-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
Cc1conc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243396328	KVNNVXSDDCVNPU-NKWVEPMBSA-N	224.025	-0.538	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243396373	LLAMBBXTCOPNIK-JGVFFNPUSA-N	228.101	-0.694	50	10	BBGE	
Nc1ccc(F)cc1NC(=O)C#CB(O)O	2243400329	ZHKVRPYVHUEFGC-UHFFFAOYSA-N	221.984	-0.638	50	10	BBGE	
CC#CCN(C)C(=O)c1ccoc1B(O)O	2243408572	PPSXMYUWVPNMRX-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CCC1CN(C(=O)c2ccc(B(O)O)s2)C1	2243408944	YBZXMACKNVTALK-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CCN(CCF)C(=O)c1nscc1B(O)O	2243411414	SPMGZEIAPIXMFS-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@]1(C)CC)B(O)O	2243413113	ZTLVRFKSPQMIOP-IUCAKERBSA-N	247.125	-0.337	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244220720	GZYVIWXJDIOKKO-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
C[C@@H](CCO)CCNC(=O)C1(B(O)O)CCC1	2247732130	CFEDCKFVQQGQON-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
CCC(F)(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247737165	DIQPJQMOXHLJBV-UHFFFAOYSA-N	246.022	-0.530	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ccoc2B(O)O)C1	2247739724	AEPGKXICSTVGIX-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(CCO)cc1	2247741918	HVOQSTCVGAQRCC-UHFFFAOYSA-N	233.032	-0.825	50	10	BBGE	
C[C@@H](N)c1ccc(NC(=O)C#CB(O)O)cc1	2247744083	NGUSNCMDIVZMGU-MRVPVSSYSA-N	232.048	-0.340	50	10	BBGE	
CNc1ccc(CNC(=O)C#CB(O)O)cc1	2247744553	USVNZOABAGGVRP-UHFFFAOYSA-N	232.048	-0.640	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@@H]1C	2247752050	HRTDRAJTCCQPTK-QMMMGPOBSA-N	236.080	-0.578	50	10	BBGE	
CC(C)(CCF)NC(=O)c1occc1B(O)O	2247754271	LUNYJIGUHRNELG-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
CC[C@H](C)N(CC)C(=O)c1cc(B(O)O)n[nH]1	2247783728	KCPKOSYSNTVEAI-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
Cc1ccnc(C(=O)N2CCCC2)c1B(O)O	2247790433	DJFBJKOGWLQLGI-UHFFFAOYSA-N	234.064	-0.694	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1C[C@H]1B(O)O	2247791997	PSKDRNVWPJHZOF-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797542	KPENTUHOPLDZGF-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800697	ROXYAXPFEUUOFP-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1C	2247801354	ZXSXGUSNVOJIKG-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247808019	JREOXXDRZUXZBI-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247809943	SMWATPNPWCRMKY-ZKCHVHJHSA-N	237.068	-0.413	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2COC[C@@H]21	2247810196	VOJFPOIPSMRQGL-JXUBOQSCSA-N	239.080	-0.513	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)o2)CC(F)C1	2247842516	WCVOURRODUVZRG-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1CNC(=O)C#CB(O)O	2247849999	IPCRUBWIZVPRTC-CHWFTXMASA-N	235.092	-0.200	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@H](C)F	2247855333	QQECPNIOVSYREV-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)C1(B(O)O)CCC1	2247856336	HVDBJJBTBGBLMW-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
CCCN(O)C(=O)c1ccc(C)cc1B(O)O	2247874389	LLTXBEPHVGQAEQ-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]2C[C@H]21	2247879412	UUIKWLGFZWKDJK-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCC[C@@H]1O	2247879771	VRKLGRRSXUIDQS-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC(O)C[C@H]2C1	2247886781	GHTNPODTDLUTGJ-MFDQJXRNSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@@H](CCF)C1	2247899786	QBQTTZQHJMKQDL-YIZRAAEISA-N	245.059	-0.564	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248574589	SYUWLHMFJDBHOS-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C(=O)O)C1CC(B(O)O)C1	2248586558	CQZVBTKMSLCNLD-GHNGIAPOSA-N	241.052	-0.781	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2C=CCOC2)n1	2249273783	FANDBKVNNQODOV-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H]1CC(N)=O	2249306038	VZBMKWAACQKYIZ-VIFPVBQESA-N	242.323	-0.514	50	10	BBGE	
COc1nn(C)cc1NC(=O)C1(B(O)O)CC1	2250089579	SZBWDHIRSYTKMZ-UHFFFAOYSA-N	239.040	-0.626	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2251031644	VXJLDZRSGHIEGT-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
CC#CC(=O)NCc1ccc(B(O)O)c(C)c1	2251313848	XGHZUZCOSNMGHK-UHFFFAOYSA-N	231.060	-0.686	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1coc(B(O)O)c1	2255460576	VWZKEINEEBXHEI-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCCc1ccoc1)c1ccc(B(O)O)o1	2255467978	UPYCGBGOXBAQEN-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cn1	2255517600	WLNHWBDCJPGRBU-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
COc1ccc(C(=O)N2CC[C@H]2C)c(B(O)O)c1	2255527773	RALIQFJIJVJIOE-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
Cc1ccnc(C(=O)N2CC3CC2C3)c1B(O)O	2255575400	PMQGDONIPODNGP-UHFFFAOYSA-N	246.075	-0.696	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1CC12CC2	2255678166	OEMZTUCNAFRZLC-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N=c2cco[nH]2)c1	2255736353	LOAMHHCIKLBTBO-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255739608	NCQGYGPHOHCRBQ-QMMMGPOBSA-N	246.075	-0.746	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1O	2256013774	IETILHKKYFEFGK-QMMMGPOBSA-N	249.075	-0.376	50	10	BBGE	
CC(C)=CC(=O)NCCc1ccccc1B(O)O	2256637450	VLUYUMXLLCYFJR-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
O=C(NCc1c[nH]nc1C1CC1)[C@H]1C[C@@H]1B(O)O	2257181629	IWZWJMWEVHPNRI-IUCAKERBSA-N	249.079	-0.234	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)[C@@H]1C[C@H]1C	2257485279	GCDMZHFSOBXIDO-GMSGAONNSA-N	248.091	-0.450	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2258945412	GOXXRSOCMKDESB-JTQLQIEISA-N	246.075	-0.678	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368951	CZBJCNMSPRJWGV-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCO[C@H]2C1	2298369621	ADAXXWYANJSKSC-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1NCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303835137	RJPONKYLTHVBCE-MUWHJKNJSA-N	239.059	-0.937	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303837087	VNNLDQUXVVIDTK-RNFRBKRXSA-N	242.059	-0.264	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303848974	FSHVZRMUMDUABY-RCOVLWMOSA-N	242.059	-0.595	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1cc(B(O)O)c(F)cn1	2303861760	STSQOZFDMODPDF-LURJTMIESA-N	242.059	-0.595	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2304297582	HTPJKEFILXMFNA-QCLAVDOMSA-N	241.096	-0.533	50	10	BBGE	
OCC12CC(CCN1c1ccc(B(O)O)cn1)C2	2314876570	ATDHNLXNFYIWAB-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@H]2COC[C@@H]21	2317161169	BLOHRIBGIPNVCJ-CABZTGNLSA-N	244.059	-0.927	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@@H]2CO)cc1B(O)O	2317313402	WLCJTNLSGUNWEG-SKDRFNHKSA-N	249.075	-0.638	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)NC(=O)[C@@H](C)Cl	42576068	DPSSXESLDDXMAM-RFZPGFLSSA-N	235.671	-0.426	50	10	BBGE	
O=CC1=C2NC=C(CC(=O)O)C(=O)N2CCC1	82301944	KNRPXARMUCBHCV-UHFFFAOYSA-N	236.227	-0.019	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCSC1	82467266	HQOVNOGLBHSROV-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)CBr	85086976	FVMIAUVSUJFTKG-SCSAIBSYSA-N	249.064	-0.745	50	10	BBGE	
COCCCN(C)[C@H](C)[C@@H](C)C(=O)NN	86313513	IRQNOMPMXALIHB-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCC[C@H]1CO	156958781	ARUPPPAPXOSUFG-JTQLQIEISA-N	243.307	-0.609	50	10	BBGE	
CN1C(=O)C(=O)N(C[C@H](O)CCl)C1=O	157823468	PUUKCWOGKUFGLV-SCSAIBSYSA-N	220.612	-0.993	50	10	BBGE	
COc1cc(N)c(C(=O)NN)cc1OC	196214605	UGQKMJNHMKRZJP-UHFFFAOYSA-N	211.221	-0.111	50	10	BBGE	
OB(O)c1ccc(N2CCSCC2)nc1	200997703	QEIAMQRBDMKVCU-UHFFFAOYSA-N	224.094	-0.685	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C1CC1	203187458	MBRDQKFPCRTBPI-UHFFFAOYSA-N	205.066	-0.039	50	10	BBGE	
CN(C)NC(=O)c1cn2c(n1)NCCC2	234234693	RAFVMNILTSAULG-UHFFFAOYSA-N	209.253	-0.095	50	10	BBGE	
OB(O)c1cccc(C2CCNCC2)c1	238649608	VIDZRXRWLXUSSH-UHFFFAOYSA-N	205.066	-0.167	50	10	BBGE	
O=C1OC(=O)[C@@H]2CS(=O)(=O)CC[C@@H]12	257899773	VQDUIVPUXLTRAK-RFZPGFLSSA-N	204.203	-0.879	50	10	BBGE	
NNC(=O)COc1coc(CF)cc1=O	260661327	XCNFDNHUCSMFRG-UHFFFAOYSA-N	216.168	-0.522	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1COCCN1	306350336	MBUUKYJPTIKTCQ-YFKPBYRVSA-N	227.091	-0.105	50	10	BBGE	
C[S@](=O)N1CC[C@H]2C(=O)OC(=O)[C@@H]2C1	306813947	ANOWSSJOKQBACM-PRGXOLQISA-N	217.246	-0.699	50	10	BBGE	
CCSCCC(=O)NNC(=O)CO	308259685	LTGCEQWXBHDDRF-UHFFFAOYSA-N	206.267	-0.731	50	10	BBGE	
CCN([C@H]1CCOC1)[C@H](C)CC(=O)NN	308792390	BKSZNUVHUXJZGJ-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1Nc1cncc2nnnn12	323162775	JOGCVWDHWUGVST-RITPCOANSA-N	240.654	-0.063	50	10	BBGE	
COC[C@H](OC[C@H](OC)C(C)C)C(=O)NN	380090164	GOGOFGHFBVBJTR-IUCAKERBSA-N	234.296	-0.321	50	10	BBGE	
C=CCNc1nc(N)c(C(=O)NN)nc1Cl	380980853	INNBBCKUSQTOJE-UHFFFAOYSA-N	242.670	-0.086	50	10	BBGE	
O=C(CCCl)NC(=O)NCCn1cnnc1	381945170	VGAIQHGHDRZKNV-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
CC1(O)CN(Cc2ccccc2CC(=O)NN)C1	384027413	DTHODULQBPUTIV-UHFFFAOYSA-N	249.314	-0.214	50	10	BBGE	
NC(=O)N1CC[C@@H](NC(=O)CCCl)C1	393268882	YXSIZMJLCGAXTR-ZCFIWIBFSA-N	219.672	-0.116	50	10	BBGE	
Cc1cnc(=O)n(CCC(C)(C)C(=O)NN)c1	395618923	TUKTYMCFZOAILE-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
O=C(O)Cc1nc2cc(B(O)O)ccc2o1	396099128	QZFWZNPTZGFQFT-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
N#Cc1cc(B(O)O)c(CO)c2sccc12	396220836	LVYILOCMOXAVMQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC(C)[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	396466721	XDJLPCZOXPNLBM-QWRGUYRKSA-N	241.071	-0.478	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	399445401	XXKZIRPMFZZKCH-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)NC1CC1	405132072	GYADAVXGOJDEQL-UHFFFAOYSA-N	221.025	-0.955	50	10	BBGE	
COCC1(CNCc2ccc(B(O)O)cc2)CC1	585045614	KJNTZASUKUADLZ-UHFFFAOYSA-N	249.119	-0.117	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@@H](C)[C@H](C)C(=O)NN	692095599	LSZPYMMUXHASBS-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1	692133530	IFDWQQJRHLTGAD-JGVFFNPUSA-N	238.243	-0.416	50	10	BBGE	
C/C(=C/CNC(=O)NN(C)C)C(=O)O	692527891	BJBMWKJJKOIKKR-XQRVVYSFSA-N	201.226	-0.207	50	10	BBGE	
Cc1cc(C)c(C(=O)NNC(N)=O)c(O)n1	700870648	HCJLUDLNSWROCD-UHFFFAOYSA-N	224.220	-0.283	50	10	BBGE	
O=C(NCB(O)O)c1cc(F)ccc1[N+](=O)[O-]	701943709	KPIYDCNROSRYNZ-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
CCn1nnnc1S[C@@H](C)CC(=O)NN	707109051	XRFFMFAOLCREFW-YFKPBYRVSA-N	230.297	-0.446	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](F)[C@H](F)C1	714558881	RROZNRWGHXEMDW-RNJXMRFFSA-N	221.251	-0.007	50	10	BBGE	
[O][S@@+](=O)(CCCl)c1ccc2n[nH]c[n+]2n1	725709765	SPDPEUGXAMWEAP-UHFFFAOYSA-O	247.687	-0.014	50	10	BBGE	
C[C@H]1COCCC1=NNC(=O)c1cn(C)nn1	853384273	PQQOODHSJVIABR-ZETCQYMHSA-N	237.263	-0.043	50	10	BBGE	
CC[C@H](F)C(=O)NNC(=O)[C@H]1COCCO1	1126607922	ATDYSKUJDOIMDW-NKWVEPMBSA-N	234.227	-0.703	50	10	BBGE	
O=C(CO)NNC(=O)c1cc(F)cc(F)c1O	1183078894	SMNXQMGKITWJHV-UHFFFAOYSA-N	246.169	-0.576	50	10	BBGE	
NC(=O)C(=O)NN=Cc1cc2n(n1)CCCC2	1326821350	GJGFHVLHHMLFTP-UHFFFAOYSA-N	235.247	-0.845	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC23CC3)nn1	1328758580	QNBLNWUEFWAQSM-LURJTMIESA-N	235.247	-0.624	50	10	BBGE	
Cc1nnc(C=NNC(=O)CCO)s1	1329109388	BSNFBHWIZDPDKY-UHFFFAOYSA-N	214.250	-0.321	50	10	BBGE	
CN(N=C1CCCS(=O)(=O)CC1)C(N)=O	1347226627	ZQXLKNZMBQFWFB-UHFFFAOYSA-N	233.293	-0.048	50	10	BBGE	
O=C(CCl)NC[C@H](O)[C@H]1CCCO1	1351743689	YKBCGINFQLLIOO-NKWVEPMBSA-N	207.657	-0.119	50	10	BBGE	
O=C(CC1CC1)NNC(=O)c1cnncc1O	1450268631	JNUQONSSDNCAGA-UHFFFAOYSA-N	236.231	-0.257	50	10	BBGE	
Cc1nnccc1C(=O)NNC(=O)c1cc[nH]n1	1470051189	JXLLANUTUYRDTM-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2cc[nH]n2)nn1	1470051900	ZGSIFZVXBAIJFX-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1ccnnc1	1570427976	VCTQSCSSNLDZKT-UHFFFAOYSA-N	233.231	-0.213	50	10	BBGE	
CC(=O)NNC(=O)Cc1cncc(O)c1	1623586395	UODGZHZYOBHGEO-UHFFFAOYSA-N	209.205	-0.503	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@]2(O)CCOC2)nc1	1637755338	WRVHNUZKIQDDQV-LLVKDONJSA-N	248.242	-0.452	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)c1cc[nH]n1	1640344914	FJBCIHUUHCYKTQ-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@@H]1N=C=S	1881658689	VEESMZINOCUNDF-WDSKDSINSA-N	207.276	-0.099	50	10	BBGE	
CC1(C)CNC(=O)CN1C[C@H](O)CCl	1884705461	VOILITQOXVYHCT-SSDOTTSWSA-N	220.700	-0.204	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)[C@H](O)C1(C)C	1885615402	AKGDVDYJBIQTBF-XVMARJQXSA-N	221.684	-0.044	50	10	BBGE	
NC(=O)NCC1CN(C[C@H](O)CCl)C1	1887054572	YKUZKLCFPGDOEQ-SSDOTTSWSA-N	221.688	-0.814	50	10	BBGE	
COC[C@H](C)N1CC[C@@](C)(B(O)O)C1	1891492907	QLQSQGBIKXUPIW-DTWKUNHWSA-N	201.075	-0.040	50	10	BBGE	
N[C@@H]1COCCN(C(=O)[C@@H]2C[C@H]2Cl)C1	1893453565	OGHNPWCRLICYSU-XLPZGREQSA-N	218.684	-0.200	50	10	BBGE	
O=C(c1cnn[nH]1)N1C[C@H](Cl)[C@H]2COC[C@H]21	1894247880	XWQFREMNOAZDRY-GKROBHDKSA-N	242.666	-0.117	50	10	BBGE	
C=C(CN(C)CCOC(C)C)B(O)O	1895150777	YYAHVZZNLNZGMJ-UHFFFAOYSA-N	201.075	-0.089	50	10	BBGE	
CN(C)CC1(F)CCN(CC(=O)NN)CC1	1900277003	WNSZPXPNSRRNJZ-UHFFFAOYSA-N	232.303	-0.658	50	10	BBGE	
O=C(Nc1cnoc1)c1cnsc1B(O)O	1900467552	SXWUKLSBUXKJOA-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CN(NC(=O)c1ccc(F)cn1)S(C)(=O)=O	1901360631	VWOYYJONCFIABY-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCCCN1)S(C)(=O)=O	1901373939	QWBRGEWKLFGPNV-VIFPVBQESA-N	249.336	-0.559	50	10	BBGE	
C[C@@H]1CNC[C@]1(C)C(=O)NN(C)S(C)(=O)=O	1901375408	LKYXWBUOGKDURB-APPZFPTMSA-N	249.336	-0.845	50	10	BBGE	
CN(NC(=O)C1(N)CC(C)(C)C1)S(C)(=O)=O	1901377537	POOSCUIYZDXBNF-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](CO)[C@@H]2C1)C(=O)NN	1907270908	ZQSCVSSVSLIYOG-IVZWLZJFSA-N	241.335	-0.437	50	10	BBGE	
COCC1(CN(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1909967688	HTRIVRFEUWZWNR-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1[C@@H]2CCC[C@@H]12	1913677549	UTVOFMMYZFINLG-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
COC1CC(N(C)CCC(=O)NN)C1	1914815590	WGPXMCBSWGAHEN-UHFFFAOYSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC2(COC2)C1	1915569709	VUZCFIBPRIGUBN-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(F)c(CO)c1	1924900127	DKFZUCIOLSZVOG-UHFFFAOYSA-N	227.195	-0.754	50	10	BBGE	
CC[C@@]1(F)CCN(C(=O)C(=O)NN)C1	1925550834	IZAPBGYMYRHJTQ-MRVPVSSYSA-N	203.217	-0.673	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCCn2cnnn2)C1	1928751200	OZIVFHAPHWIVRK-JGVFFNPUSA-N	230.703	-0.816	50	10	BBGE	
Cc1scnc1C(=O)NCB(O)O	1928974508	KOWCEMMWCIYZLP-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](C(=O)NNCCO)C1	1929837819	FFJUIOCILOLLSV-RQJHMYQMSA-N	216.237	-0.900	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@@]1(CO)CO2	1931132486	SARQKLGPWGQOSU-RNFRBKRXSA-N	241.696	-0.652	50	10	BBGE	
NNC(=O)C[C@H](N)COCc1ccccc1	1932546394	KMWDJHQMWSZVSS-JTQLQIEISA-N	223.276	-0.090	50	10	BBGE	
C#CCN(CCCl)CCn1cnnn1	1933483913	NHVQQJKXOKBAFJ-UHFFFAOYSA-N	213.672	-0.153	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1934047439	PHHATSFRLVCSQH-HXFLIBJXSA-N	213.281	-0.648	50	10	BBGE	
CO[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1934072266	SCEPCYSZSTVKIE-AYMMMOKOSA-N	213.281	-0.382	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C(C)(C)CCO	1936081213	LIKBFGMUAYAPMO-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1F	1937151556	ATHQLOIAJJBQMT-KDXUFGMBSA-N	231.271	-0.719	50	10	BBGE	
NNC(=O)C1(CN2CCCOCC2=O)CC1	1938248318	DVVUGSLSBZHDCZ-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941086485	IVUYSLGMZIXKCE-DTWKUNHWSA-N	242.323	-0.978	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)CCO1	1944022780	FSLHQXVXMLUOQS-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CCC[C@H]2CN(C(=O)C(=O)NN)C[C@H]21	1945669651	WAOLSIZQHLBJOO-DJLDLDEBSA-N	241.291	-0.750	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@]1(N)CCS(=O)(=O)C1	1954079319	WEVSHCDZEUJSEP-CAHLUQPWSA-N	225.697	-0.301	50	10	BBGE	
CCNC(=O)C1CN(C[C@H](O)CCl)C1	1956531958	VZKZTJORXSPMJV-MRVPVSSYSA-N	220.700	-0.346	50	10	BBGE	
C[C@H](CC(=O)NN)SCCOCCN	1956691241	VJTKBMBPNQZNMO-SSDOTTSWSA-N	221.326	-0.537	50	10	BBGE	
Cn1cnc2c(C=CB(O)O)ncnc21	1959264274	BOLZVDFOGRUGPR-UHFFFAOYSA-N	203.998	-0.612	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C[C@@H](O)CCl	1960163623	MLPFAHBTNGZHJZ-LURJTMIESA-N	234.683	-0.677	50	10	BBGE	
CC1(C)C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CO1	1972414460	QOZVVGMQTDRXEU-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
COCCN1CCN(C[C@@H](Cl)C#N)CC1=O	1976094378	XZVUFRAPTWQBIA-VIFPVBQESA-N	245.710	-0.092	50	10	BBGE	
O=C(CC1CCC1)N[C@@H](CB(O)O)C(=O)O	1976981080	GHEWWGDIWGAPAD-ZETCQYMHSA-N	229.041	-0.781	50	10	BBGE	
CN(C(=O)NN)C1C[C@H]2CS(=O)(=O)C[C@@H]2C1	1976994660	JYWBIOVZHMTMLH-BQBZGAKWSA-N	247.320	-0.675	50	10	BBGE	
NC(=O)CN1CCN(CCOCCCl)CC1	1978819135	YKTSEOMEZRBLBY-UHFFFAOYSA-N	249.742	-0.655	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2OCCC[C@@H]2C1	1980815038	ADTMLMWNRJPXBQ-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1CCC(=O)NN	1980854225	HRGHDVVMFPYMRG-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCN2CCC(=O)NN)C1	1980963902	HCYQTOVBMBSMFB-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
Cc1nc(OC2CCCC2)ncc1B(O)O	1981420931	SHGGHPOCHWCOTC-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)CCC12CCC2	1982212118	PRRIDSQPXNQIAG-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncn(C)n1	1984080059	MFROWTUKAIGHLD-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@H]1CCN1C	1987091786	GVGLOFAGSIHLIP-AEJSXWLSSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](OC[C@@H](C)N1CCOCC1)C(=O)NN	1987275028	VDCXCAYRJOZRFF-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CO[C@H]1CC[C@H]1CCn1ccc(B(O)O)n1	1987334950	GTNFLRRFCUFLTG-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
CC[C@]1(C)C[C@H](N(C)C(=O)C(=O)NN)CO1	1988316673	VMXSVDZIRYSNKV-OIBJUYFYSA-N	229.280	-0.608	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)C(=O)N1CCNCC1	1991432770	MRQYVLGNCJNNSD-HTQZYQBOSA-N	245.710	-0.838	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1991705087	AGRUDHLXJXWBSI-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](OCCO)C1	1991715185	QWYYKJZYZYXQAS-CMLYIYFCSA-N	247.678	-0.082	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(c3nnc(CCl)o3)C[C@H]21	1993433284	FKZVUYGVNVGVFP-KCQQBQQISA-N	242.666	-0.024	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996732601	JCVKNUFIUWIMPP-DCAQKATOSA-N	240.351	-0.363	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@H](C)CCC(=O)NN)C1	2000968037	RIVFWEIWXLLVDI-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC([C@H](F)CO)C1	2001910921	NJYFUEFZHPKGRL-BDAKNGLRSA-N	247.314	-0.347	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1Cc2cnn(C)c2C1	2003028477	VZARZWUANRLBBK-SFYZADRCSA-N	237.307	-0.250	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CCC[C@H]2C1	2004934959	JOFVLEAYBGILGP-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC(C)(F)F)n1	2004935702	PCDYBKHWZUMCPY-UHFFFAOYSA-N	246.022	-0.193	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@H](C)CC[C@H]2C)n1	2005014607	NUUOENLPGPPTBZ-HTQZYQBOSA-N	235.096	-0.158	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@]3(C)C2)c(B(O)O)c1	2005014851	RPPLRKCDSPRBCB-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H](N)COCC(=O)N1CCC(O)(C#N)CC1	2005873691	PCYMSBDHOLPEIK-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@H](CO)C[C@H]2C1	2005989799	FREMUKXXIADEQM-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
CC1(C)C[C@@H]1CCn1cc(B(O)O)ccc1=O	2008840779	RCXFGJSNWSWFHJ-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
CCN(CC1(O)CCC1)CC1(C(=O)NN)CC1	2010569756	AAKXLMJCBCZFDR-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(C1)CC(C)(O)C2	2011901067	RYVNDULTDWTLLR-RKDXNWHRSA-N	241.335	-0.152	50	10	BBGE	
CC=CC(=O)NCCc1cccc(B(O)O)c1	2025207904	OVKCGHCISIQEFK-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@]23CC[C@H]3N)CC1	2052403550	QTHALZLRFPWCCR-OPQQBVKSSA-N	249.314	-0.009	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H](C3)C2)ncc1B(O)O	2052553085	BZCXCCQCJCIETE-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
NCc1c(B(O)O)cccc1C(F)(F)F	2059122441	MOXVFKXTPPBNBE-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
COc1cc(Cl)c(B(O)O)c(C=O)c1	2060132735	LBWSXIPNLQPSKP-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1ccc(B(O)O)c([N+](=O)[O-])c1C=O	2060279080	PKZCNHYMPXQABD-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
CON(C(=O)c1ccccc1B(O)O)C1CCC1	2079010250	NSIHRHXZAVMPPE-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
NCCSC[C@H]1CC[C@H]1C(=O)NN	2209326654	JMKSLYPRWFMCIN-RNFRBKRXSA-N	203.311	-0.306	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C(=O)O1	2211838546	IMALGPHHBXXIBG-BWZBUEFSSA-N	227.264	-0.157	50	10	BBGE	
C=CCCOC(=O)Nc1ncc(B(O)O)s1	2212141315	XGWJPXLQSAAPTJ-UHFFFAOYSA-N	242.065	-0.053	50	10	BBGE	
OB(O)c1ccnc(Sc2nc[nH]n2)c1F	2212599538	KISHHTGMSGUXBF-UHFFFAOYSA-N	240.028	-0.830	50	10	BBGE	
C=C1C[C@@H]1CNc1nccc(B(O)O)c1F	2212606635	XJQICIXANQVPGH-SSDOTTSWSA-N	222.028	-0.112	50	10	BBGE	
C=C(CCN)COc1ccc(B(O)O)cn1	2212607310	JOTVPJATKORUFH-UHFFFAOYSA-N	222.053	-0.955	50	10	BBGE	
Cc1ccn(Nc2ncc(B(O)O)cn2)c1	2212610875	QJOONUUENMBPEC-UHFFFAOYSA-N	218.025	-0.858	50	10	BBGE	
CCN(CC(=O)NC)C[C@@H]1CC[C@H]1C(=O)NN	2215771668	JKDXBHYAGKFGTA-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)[C@H](CO)C2)CCC1	2216493929	OWAUITKSFMSCJQ-DTWKUNHWSA-N	245.298	-0.591	50	10	BBGE	
Cc1cnc(O[C@H]2COC[C@@H]2C)cc1B(O)O	2217171934	HASIUOFYIDXKAQ-WPRPVWTQSA-N	237.064	-0.516	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2cc(B(O)O)ccn2)[C@@H]1C	2217176704	ZNYCCMPCAZHCEG-KHQFGBGNSA-N	236.080	-0.403	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H]3C[C@@H]3C2)[nH]c1	2217183387	KUWNDBBAMMBPOS-ILWJIGKKSA-N	232.092	-0.359	50	10	BBGE	
CC[C@@H](CN)CCOc1cc(B(O)O)ccn1	2217189345	BXUHYFRJHIWMGN-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C1CCC1	2217200740	VNHHPKKTDCZWRW-JTQLQIEISA-N	231.064	-0.630	50	10	BBGE	
CC1(C)[C@H]2CN(c3cc(B(O)O)ccn3)C[C@H]21	2217204220	GXWYXJQKGGKSNK-AOOOYVTPSA-N	232.092	-0.146	50	10	BBGE	
C[C@]1(Nc2ncccc2B(O)O)CCC[C@H]1O	2217205403	YKHZQOSPDLALLN-KOLCDFICSA-N	236.080	-0.523	50	10	BBGE	
CN(C)CC1(Nc2ncccc2B(O)O)CCC1	2223626925	KJHHHDAIVNGMLC-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
NCC1CCC(Nc2ccc(B(O)O)cn2)CC1	2223633810	BLAATZYSAMMGFO-UHFFFAOYSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@@H]3CNC[C@H]32)nc1	2223636997	CCQJDIAEVADOOF-FBIMIBRVSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2C[C@@H]2C2CC2)[nH]c1	2223645275	UXUKOLCCVWSMDN-GXSJLCMTSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@H]3CNCC[C@H]32)nc1	2223648209	IOTBIZCDIAVAHG-OUAUKWLOSA-N	247.107	-0.971	50	10	BBGE	
Cc1cnc(NCC23CC(CO2)C3)cc1B(O)O	2223651521	CKQPRIJCOFAJRT-UHFFFAOYSA-N	248.091	-0.339	50	10	BBGE	
OB(O)c1ccnc(OC2CC3(CCNC3)C2)c1	2223652196	CQBBBYALRVKLSS-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2c1ncccc1B(O)O	2223665919	IWOHYWOERMLORA-PBINXNQUSA-N	247.107	-0.780	50	10	BBGE	
N[C@H]1CCCC[C@H]1CNc1ncccc1B(O)O	2223669848	PFHDIWRNMIKIMH-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3OCC[C@H]3C2)c1	2223671720	AMMIMWZPOAMNHR-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1c1cc(B(O)O)ccn1	2223678020	WBEOBBHVOBJPQF-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
Cn1[nH]c(=N[C@H]2C[C@H](Cl)C2)nc1CO	2241655981	UPVYFFKWAXIJLV-IZLXSQMJSA-N	216.672	-0.089	50	10	BBGE	
COCCS(=O)(=O)NC[C@@H](CCl)OC	2242440731	SMVCHSRUIYWELM-SSDOTTSWSA-N	245.728	-0.194	50	10	BBGE	
O=C(NCC1CSC1)c1coc(B(O)O)c1	2243346535	ABHAPPKXBYBKFK-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
C#CCN(CC#N)C(=O)C1(B(O)O)CCC1	2243347849	RAHPSMPYTYGTPS-UHFFFAOYSA-N	220.037	-0.631	50	10	BBGE	
Cc1cnccc1CNC(=O)C#CB(O)O	2243356800	NAWFNUBQRPWQMW-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccccc1	2243361544	CROLBVYMZOCKEH-SECBINFHSA-N	217.033	-0.121	50	10	BBGE	
Cc1nnsc1CNC(=O)C1(B(O)O)CC1	2243365744	RJUZYNPDSFYBEY-UHFFFAOYSA-N	241.081	-0.530	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2243383483	YUUOXPPWUPJEAC-KZVJFYERSA-N	227.069	-0.731	50	10	BBGE	
CN(CCC#N)C(=O)c1cc(B(O)O)cs1	2243385000	ASGWGSXHGFVLAX-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
C#C[C@@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243395931	FAJTYJVDSLSWLR-UDNWOFFPSA-N	221.065	-0.233	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CC[C@@H](C)O1	2243399463	MKFHVAZNWACGGN-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CCOCC(C)(C)CNC(=O)C#CB(O)O	2243400888	JHQFAPJRHBCSJW-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
N#CCC1CCN(C(=O)C#CB(O)O)CC1	2243404114	JIHGPVJZIRAFHX-UHFFFAOYSA-N	220.037	-0.846	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243427690	ZFHSNRNTKQTYBR-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
C=C(COCCN1CCOC[C@@H]1C)B(O)O	2244056056	MRWHIHRMHLMLAC-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
O=C(N1CC2(CCCO2)C1)C1(B(O)O)CCC1	2247738346	QKSFNPKXLISIEN-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
CCC1(C)CN(C(=O)c2ccc(B(O)O)o2)C1	2247742835	UXZFBHKLLASCBF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cc(B(O)O)c[nH]1	2247744182	OSWNTJXQZSJAAL-VIFPVBQESA-N	234.064	-0.774	50	10	BBGE	
CCN(CCNC(=O)C1(B(O)O)CC1)C1CC1	2247753431	GZXMSTLREAFEQX-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@H]12)C1(B(O)O)CC1	2247753776	CLBJEUAUBFMEPD-RKDXNWHRSA-N	238.096	-0.654	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CCCO1	2247754787	ARXOODGPZUFEIN-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2C[C@@H]2F)c1	2247761705	WMZIKUVGFIUPEA-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CN)CCCC1	2247791420	MYGYEWJBSGFBEN-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1ncon1	2247796850	DKQNOBPPKDJDPR-VTSJMVTISA-N	239.040	-0.500	50	10	BBGE	
CN(C)CC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247797190	GXHRQHDYWRXCQE-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@](F)(CO)C1	2247797850	NOXWVPOEYBMJTH-NQMVMOMDSA-N	245.059	-0.828	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCn2ccnc2C1	2247803436	BBOSGODBXXLVLG-HTQZYQBOSA-N	235.052	-0.912	50	10	BBGE	
COC[C@@]1(C)CCN1C(=O)C1CC(B(O)O)C1	2247809615	QCCULZFKBNFYEN-NWGYLPEXSA-N	241.096	-0.123	50	10	BBGE	
CC1(F)CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2247846459	GYIUZFLSTTZKPS-UHFFFAOYSA-N	240.043	-0.685	50	10	BBGE	
O=C(N1CC[C@H](C2CNC2)C1)C1(B(O)O)CC1	2247856122	DQBKCYSQZCSFCN-QMMMGPOBSA-N	238.096	-0.939	50	10	BBGE	
Nc1ccccc1CNC(=O)C1(B(O)O)CC1	2247873976	IJBSPVXBWDISFW-UHFFFAOYSA-N	234.064	-0.108	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)ncn1	2247897289	QFKFOJUWEWNEPL-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
O=C(NCc1ccnc(O)c1)[C@H]1C[C@H]1B(O)O	2247897547	URAMZAODFOHASE-JGVFFNPUSA-N	236.036	-0.734	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ncccn1	2247899062	KEFKYKWBMGLKFW-BIIVOSGPSA-N	235.052	-0.483	50	10	BBGE	
O=C(NCc1ccnnc1)[C@H]1C[C@@H](B(O)O)C1	2247902281	DQVBQTRRKMXDLI-DTORHVGOSA-N	235.052	-0.654	50	10	BBGE	
C=CC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248585605	OKEYORWSKSTHIG-BWZBUEFSSA-N	241.052	-0.615	50	10	BBGE	
CCn1cnc(NC(=O)c2coc(B(O)O)c2)c1	2255453741	RNHZRVVCGMJGKH-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CC[C@H]1C2	2255462799	ACHLOHQQLOHHEU-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC(C2CCC2)C1	2255465359	JQUBWDGROXUWJF-UHFFFAOYSA-N	248.091	-0.433	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1COc2ccccc2C1	2255468185	XFWRRNYCWLFFSZ-JTQLQIEISA-N	245.043	-0.878	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255472160	CWMIJDAFIZCZBK-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H](C)CC#N)n1	2255487952	XEQQALOSIXEUGG-MRVPVSSYSA-N	247.063	-0.898	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ccncc2B(O)O)[C@@H]1C	2255733244	IBPGAXHIBXEMPB-XLDPMVHQSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(B(O)O)n[nH]1	2255762795	AUKGVODIJAEPBO-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCc1ccnn1C1CC1)[C@H]1C[C@@H]1B(O)O	2255765213	MUJKDBNJRXLBPK-UWVGGRQHSA-N	249.079	-0.303	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ncc(B(O)O)cn1	2255781628	RAPOYZITKIXGAO-VIFPVBQESA-N	249.079	-0.973	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255955391	NDXNUOYJWFZBFY-MRVPVSSYSA-N	249.075	-0.446	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1nccnc1B(O)O	2256050523	CBVJOUZEOOSOAD-LLVKDONJSA-N	249.079	-0.925	50	10	BBGE	
Cc1nnccc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2261223495	FERDPISRAKVRLD-ZJUUUORDSA-N	249.079	-0.394	50	10	BBGE	
C[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463480	FUWZPGREGOCMPV-BRDIYROLSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3OCCC[C@H]23)c1	2312614813	LSPZOTZBKQWOTE-VWYCJHECSA-N	248.091	-0.259	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccc(OC)c(B(O)O)c1	2319328736	IUKJHFLVQAJJFK-SECBINFHSA-N	247.059	-0.110	50	10	BBGE	
NC(=O)CN1CCC(NC(=O)CCCl)CC1	37012386	RYLZMXYEHPGNEG-UHFFFAOYSA-N	247.726	-0.319	50	10	BBGE	
C[C@H](Cl)C(=O)NCCN1CCN(C)CC1	37759827	WDLSAMKNHRLDBI-VIFPVBQESA-N	233.743	-0.023	50	10	BBGE	
CC(C)(C)OC(=O)NNC[C@@H](O)CO	39093387	TWQUFANMGSLBHZ-ZCFIWIBFSA-N	206.242	-0.631	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(=O)O)CC(C)C	62743003	XAYYEKFFHSDOLZ-UHFFFAOYSA-N	245.279	-0.804	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	82468620	XBVSTBUUHWNTGL-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](O)C2)s1	82468691	LSJOPRFBQFNSRD-ZETCQYMHSA-N	241.316	-0.082	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)o2)CC1	110569221	FMBGSMHCPORFIF-UHFFFAOYSA-N	238.291	-0.370	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)[C@@H](C)CCl	130228633	BCTMGEYVJGGNPJ-JGVFFNPUSA-N	248.710	-0.165	50	10	BBGE	
CN(C)NC(=O)CN1CCC(N)CC1	147276793	SYERVZJAINWBPW-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
CC(=O)N[C@@H]1CCN(C(=O)NC(=O)CCl)C1	160309099	IMEDTTXSJKTLIB-SSDOTTSWSA-N	247.682	-0.328	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C(=O)O)C(C)C	162378457	LPCGNODNINQWHT-QMMMGPOBSA-N	248.304	-0.004	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H](CC(=O)O)C(=O)O	170312642	UBBXBIQEWFUAPC-RFZPGFLSSA-N	237.639	-0.095	50	10	BBGE	
N[C@@H]1[C@H](O)C[C@H](C(=O)O)[C@H]1Br	200458837	NAMUYDLTJMUKFY-NRXMZTRTSA-N	224.054	-0.457	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CCO	211780279	ZSHILEHKUUXQLI-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CN)C1	222176056	CHMPIPOBUWVKNW-YIZRAAEISA-N	214.313	-0.719	50	10	BBGE	
C[C@@H](CC[S@](C)=O)N1CC(=O)OC(=O)C1	230112673	HKOJBMNKMAJGMN-ZIDLFYJRSA-N	233.289	-0.471	50	10	BBGE	
CN(C)NC(=O)N[C@H](CCCC(=O)O)C(=O)O	234229643	TXGNTBFUHJOGCU-ZCFIWIBFSA-N	247.251	-0.530	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](C(N)=O)C1	236220505	GGOMMEZRHJGRKN-SECBINFHSA-N	242.323	-0.656	50	10	BBGE	
CN1CC[C@@H](NC(=O)CNC(=O)CCl)C1	258639532	FQBKBTLQXWQUKF-SSDOTTSWSA-N	233.699	-0.838	50	10	BBGE	
CN1CC[C@@H]([C@H](N)CC(=O)NN(C)C)C1	259146461	UJADUGYJFWBIDY-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
Cc1ccn(Cc2ccc(C(=O)NN)o2)c(=O)n1	302452952	XPWHCMRHUCUUAG-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCN(CCOCCO)C[C@H](O)CCl	308518460	GKQWGYTVXWUGJC-SECBINFHSA-N	225.716	-0.083	50	10	BBGE	
C[C@@H]1C(=O)NCCN1[C@H](C(=O)NN)C(C)(C)C	395615885	PCEBPAGBSRXQNG-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@H]1CO	395804439	HOKWAOAJOZZPSS-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CCNC(=O)N[C@H](C)c1cccc(B(O)O)c1	405083419	NTBZUJUFKAEVRS-MRVPVSSYSA-N	236.080	-0.254	50	10	BBGE	
CCCOC(=O)Nc1ccnc(B(O)O)c1	405152904	UELRITNIFYTZQE-UHFFFAOYSA-N	224.025	-0.280	50	10	BBGE	
O[C@@H]1C[C@@H]2CN(CCOCCCl)CCN2C1	405205113	FRSPSZCMOIULHT-GHMZBOCLSA-N	248.754	-0.007	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(=O)OCC	493582962	TYXARHXSJUDOIK-UHFFFAOYSA-N	239.297	-0.176	50	10	BBGE	
CN(N)C(=O)c1c(Br)nnn1C	575451496	KYKGLVFTQZBAAO-UHFFFAOYSA-N	234.057	-0.477	50	10	BBGE	
CN(CCCl)CCN(C)c1nnnn1C	691267706	IVLQAERTXUAUNJ-UHFFFAOYSA-N	232.719	-0.183	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	691455507	XSYLVMXYLXVRPL-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
COCCOCC(=O)N1CCC(O)(C#N)CC1	692116595	ZTNZSQSKLXGIJG-UHFFFAOYSA-N	242.275	-0.474	50	10	BBGE	
CO[C@H](C)Cn1nc(C)c(B(O)O)c1C	694307313	GSQMMIYORCSRLY-ZCFIWIBFSA-N	212.058	-0.785	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@H](CO)C1	700454905	OQQRLXPBIUJOIN-SCZZXKLOSA-N	243.307	-0.896	50	10	BBGE	
Cc1cc(C)nc(Cn2ccc(B(O)O)n2)n1	700521649	IGWXGKSTJHQXFC-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
NNC(=O)c1cc(CN2CC(O)C2)cs1	701647662	TUKIXEQFZGZZPY-UHFFFAOYSA-N	227.289	-0.472	50	10	BBGE	
C[C@@H]1N=CC(S(=O)(=O)NCCCl)=N1	725594492	GSJDTWPBKCUCQE-RXMQYKEDSA-N	223.685	-0.027	50	10	BBGE	
N#CC1=C(NN2CCCC2)S[N][C@H]1N	725632387	TXUCBGWRWXALSE-SSDOTTSWSA-N	210.286	-0.127	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCCc2n[nH]cc21	758181369	BNFJGOGQNJUBGI-ZCFIWIBFSA-N	237.263	-0.210	50	10	BBGE	
Cc1ccccc1CC(=O)NNC(=O)CC(N)=O	763689496	WDGJBCAPLRJAHW-UHFFFAOYSA-N	249.270	-0.440	50	10	BBGE	
CCOCC(=O)NNC(=O)N[C@H](C)[C@@H](C)OC	812578428	NEHNLSLXNHTHCD-HTQZYQBOSA-N	247.295	-0.223	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CCn1cncn1	862504089	QYLGIBNGFZWZLN-UHFFFAOYSA-N	246.274	-0.063	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2nc[nH]n2)O1	862889973	DJRZNRRPTUBSHH-PHDIDXHHSA-N	239.235	-0.867	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccn1	929110150	MEKFWSUDXLMWHB-VXNVDRBHSA-N	235.243	-0.123	50	10	BBGE	
NNC(=O)c1cc[n+]([O-])c(C(F)(F)F)c1	1088731708	HIZQYQKJXVEFKB-UHFFFAOYSA-N	221.138	-0.058	50	10	BBGE	
Cc1cc(=NC(=O)NNC(=O)CO)cc(C)[nH]1	1254736842	MNRKCGSCFKYADO-UHFFFAOYSA-N	238.247	-0.735	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCCCC(N)=O	1332628823	BDRWSKZYMOOKPX-QMMMGPOBSA-N	231.296	-0.624	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1cnc[nH]1	1443537646	IZSQIQQUQBCSLX-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
C=C[C@H](C)ONC(=O)NNC(=O)c1ncon1	1565009156	NCMDXARIGZDLCJ-YFKPBYRVSA-N	241.207	-0.480	50	10	BBGE	
CC(C)(C#N)CC(=O)NNC(=O)c1cnn[nH]1	1565634985	QEGBHSPFJSTYKO-UHFFFAOYSA-N	236.235	-0.494	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1C#N	1623762598	PXLOHXAXZVBDAF-RNFRBKRXSA-N	210.237	-0.161	50	10	BBGE	
Cc1cc(NNC(=O)c2cnc(O)n2C)ncn1	1648569792	AIDKCOCLPQGEKY-UHFFFAOYSA-N	248.246	-0.019	50	10	BBGE	
CC(C)CONC(=O)NNC(=O)c1ncon1	1680910084	SUFRRWWNBANCJM-UHFFFAOYSA-N	243.223	-0.399	50	10	BBGE	
N[C@H]1CC[C@@H]1NC(=O)C=CC(=O)Cl	1883624205	OPGYVTCBZWBGLT-WDSKDSINSA-N	202.641	-0.086	50	10	BBGE	
OB(O)c1csc(COC2CCC2)n1	1891822625	AFLZILUCBFCSMF-UHFFFAOYSA-N	213.067	-0.108	50	10	BBGE	
O=C(O)C1(NC[C@H]2C[C@H]2Br)CNC1	1893005566	JBFMSSOXSMCPHC-PHDIDXHHSA-N	249.108	-0.214	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C[C@H]1C[C@H]1Cl	1893136294	GHKPQBPVRIHTIB-PRJMDXOYSA-N	218.684	-0.200	50	10	BBGE	
C[C@H](Cl)C(=O)NCC[C@H](O)CCO	1893418907	GPUROFCIUSZDTF-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
N[C@H]1COC[C@H]1NC(=O)C1CC(Cl)C1	1893487093	AGYGCELUWAZOPI-RLXKETGRSA-N	218.684	-0.154	50	10	BBGE	
COc1ncc([C@@H](N)[C@@H](O)C#N)c(OC)n1	1894494142	ZSGVBHSFVFZESJ-NKWVEPMBSA-N	224.220	-0.622	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)CCCl)C[C@@H]12	1900558193	KFWLXSKWHSCYRR-PHDIDXHHSA-N	216.668	-0.195	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@](C)(O)C1	1901104455	FUYQNNOTJAIVRF-ACLDMZEESA-N	221.684	-0.042	50	10	BBGE	
CC(C)=C(CN1[C@H]2C[C@H]1CN(C)C2)B(O)O	1901702128	LTIPQPFAYBBLGF-UWVGGRQHSA-N	224.113	-0.277	50	10	BBGE	
CCOCCCOCc1nc(B(O)O)cs1	1902655121	ZOOAOANEYKAAES-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
C[C@H](O[C@H]1CCO[C@H](C)C1)C(=O)NN	1904779296	DNZBDCMYUASAGZ-CSMHCCOUSA-N	202.254	-0.051	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3COC[C@H]32)C1	1908820923	SABKJYYVVCBKRZ-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
N[C@@H]1CCN(CC(=O)NC2CC(Cl)C2)C1	1909252321	VHLSUOBVVCANNA-QJAFJHJLSA-N	231.727	-0.095	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911288071	JJLWCFVZKVSYNH-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(CCC[C@H]2O)C1	1918421651	RFHYJRSNKKFSKB-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)COCCOC[C@H]1CCCO1	1928178241	DMTGLGNHOKBXCL-MRVPVSSYSA-N	218.253	-0.812	50	10	BBGE	
NNC(=O)COCCN1CCC(F)(F)C1	1928181354	MLJPKGWPXNVKGE-UHFFFAOYSA-N	223.223	-0.666	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)C1CC(F)(F)C1	1928286457	OCQBNXAVHSGCQI-BYPYZUCNSA-N	221.207	-0.474	50	10	BBGE	
CC1(C)CN(C(=O)CCl)CC(=O)N1	1930693286	RDFMDXPYAQGMOS-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
CN1C[C@H](N2CC=C(C#N)CC2)[C@H](O)C1	1935163433	TVLPJZJVKWULRZ-WDEREUQCSA-N	207.277	-0.183	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1O	1936095513	XUXNOBUVKRFNPX-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)[C@H](C)C(=O)NN)C[C@H]1F	1937151814	CBDFMPBRHOXACR-RBXMUDONSA-N	233.287	-0.330	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@@H]3C2=O)CC1	1940092786	MJKXMBASFDSFLT-YUMQZZPRSA-N	223.276	-0.375	50	10	BBGE	
CN(CC1CCOCC1)C[C@@H]1C[C@H]1C(=O)NN	1941089804	XFOIGUDYMWOHQK-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2CC[C@@]1(CO)C2	1942115885	QHSBHEIKHUXEOV-GMOBBJLQSA-N	239.319	-0.541	50	10	BBGE	
Cc1ncc(OC[C@H]2CCCO2)cc1B(O)O	1944011904	VUNPHGOXWCHQCV-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
O=C(NNCCO)[C@H]1COc2ccccc2C1	1944216646	YLPFRAGGPDAEIG-SNVBAGLBSA-N	236.271	-0.149	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H]2C2CC2)CC1	1945883897	HQGDSKGRLMPPCE-SNVBAGLBSA-N	239.319	-0.133	50	10	BBGE	
O=CN1CCCN(C[C@H](O)CCl)CC1	1955955485	FOSIRVMEJCGFFQ-SECBINFHSA-N	220.700	-0.250	50	10	BBGE	
C[C@@H](C#N)CN(CCC(=O)NN)C1CC1	1961233675	LITNAGFHEKWPMC-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@](O)(C(N)=O)C1	1962377746	RHCPTQPHMNRCHP-RCOVLWMOSA-N	234.683	-0.548	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1ncon1	1976756434	UECPIHRULMOPAS-ZETCQYMHSA-N	227.268	-0.340	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)C2(CCC2)C1	1978832458	RTCFXTKCKDIMOO-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CO)CCC[C@@H]12	1978919968	OYSZUYLXRHUILF-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CCN1CC[C@H](O)CC12CCC2	1980723650	VGQGHMWYDGANFZ-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)c1	1981072769	NFBYXMXQDPDZEH-IUCAKERBSA-N	221.260	-0.217	50	10	BBGE	
OB(O)c1cccnc1N1CCCSCC1	1981423883	KSHNLWNQFKGJHI-UHFFFAOYSA-N	238.121	-0.295	50	10	BBGE	
Cc1cnc(N2CCCCO2)c(B(O)O)c1	1981471339	IINKXIGFVKMGMJ-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	1984031578	PUDMNQBINZOXRY-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
COC(=O)c1nnn(C[C@H](O)CO)c1CCl	1988545768	YDAHEGXBHMBHKN-YFKPBYRVSA-N	249.654	-0.843	50	10	BBGE	
O=C(NCC1(C(=O)O)CC(O)C1)[C@H]1C[C@H]1Cl	1991683016	PFGCSSPPQGBKSF-IUBIVETDSA-N	247.678	-0.044	50	10	BBGE	
C=C(CN(C)C[C@](C)(COC)OC)B(O)O	1992129131	BZMRTBYHAJXZFE-SNVBAGLBSA-N	231.101	-0.462	50	10	BBGE	
C[C@H](CC(=O)NCC#CB(O)O)P(C)(C)=O	1992144098	YEZOFQOZGMXSRR-MRVPVSSYSA-N	245.024	-0.481	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]1(C)CSCCO1	1993432671	WOJWCSQOTLYKQJ-SCZZXKLOSA-N	247.364	-0.181	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1[C@H]2CO)C(=O)NN	1994018956	BLIUJHIPPZUURK-VGMNWLOBSA-N	227.308	-0.685	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1[C@@H]2CC[C@@H]12	1997528963	JAFVJQYQMKWQTB-HTQZYQBOSA-N	231.060	-0.039	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@H]2CC[C@@H](C(=O)NN)O2)CO1	2004766339	VGGRXNVMZGJVOO-IMSYWVGJSA-N	244.291	-0.282	50	10	BBGE	
CN(Cc1ccco1)c1ccc(B(O)O)cn1	2004917226	VYHPYTMQGSJNJP-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
Cc1nc(N(C)[C@H](C)C2CC2)ncc1B(O)O	2004974271	HZXGSXWSXAAJBY-MRVPVSSYSA-N	235.096	-0.300	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H](CCO)C1	2005060318	IRSNMJYJZSEOOV-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
Cc1cc(C(N)=O)ccc1OCCC(=O)NN	2007701348	UIZCYYIPVSSTIQ-UHFFFAOYSA-N	237.259	-0.147	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CC(O)C2)C1	2008883086	KXHNDOUNPRXRHK-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
Cc1ccnc(C)c1CN(C)C(=O)C(=O)NN	2013494746	NGJMLTCXNJUYOV-UHFFFAOYSA-N	236.275	-0.353	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@](C)(N(C)C)C1	2019211171	PPTKVTNHGSIHGX-NSHDSACASA-N	242.323	-0.820	50	10	BBGE	
C=C(CN(C)C[C@]1(OCC)CCOC1)B(O)O	2021164798	MJNJWCZWFABAHY-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(CN)[nH]n2)CC1	2040418982	VXHHOXFSTMXYTA-UHFFFAOYSA-N	249.274	-0.641	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ncccc3B(O)O)C[C@@H]12	2042942832	GAKXCUWYOUEGLT-LWINAJNOSA-N	246.075	-0.254	50	10	BBGE	
CN(Cc1cccn1C)c1ncc(B(O)O)cn1	2052459214	BIGNAQNGZRUPPT-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cnc(-n2cnc(C3CCC3)n2)nc1	2052596984	GAPNIINLXXLBKB-UHFFFAOYSA-N	245.051	-0.995	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@H]1CCN(C)C1	2052621815	LYAWZUIRWUXHOB-NSHDSACASA-N	249.123	-0.790	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(C#N)c1B(O)O	2060279321	SMYMHFDSMHRXHJ-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071020727	ADDPLKDUIBKPNL-ZBGLXGBJSA-N	246.075	-0.563	50	10	BBGE	
O=C(NCc1cnco1)c1cccc(B(O)O)c1	2079008511	KNAKJASSFSNWAW-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C([C@H](F)C(F)(F)F)N1CC[C@H](B(O)O)C1	2208731315	DLGLQPHOOGLQRA-WHFBIAKZSA-N	242.965	-0.038	50	10	BBGE	
CN(C[C@H](F)[C@H]1CCOC1)C(=O)NN	2209976055	JUXPUMYTGSZSRR-BQBZGAKWSA-N	205.233	-0.124	50	10	BBGE	
NCCC1(Oc2ncccc2B(O)O)CC1	2212599924	PSXQBYDWUDJSRE-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
CC(C)[C@@H](CN)Nc1ccc(B(O)O)cn1	2212600349	CCMVDMHDCDPTPA-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1OC[C@H]2CCCC[C@H]21	2213188330	FCODESASLAJGAT-HLTSFMKQSA-N	241.291	-0.702	50	10	BBGE	
C[C@H]1C[C@H]1CCN(C)c1ncc(B(O)O)cn1	2215321779	NENFPTUWQAFIBA-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1nccc(B(O)O)c1F	2217179010	DSNSEOKJFABIEI-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
CC[C@H](C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2217180517	IILYANWQQLFMLF-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
CC[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CO1	2217182653	BSPHTCMZSXMXMA-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
CCN(C[C@@H](C)N)c1nccc(B(O)O)c1F	2217184168	NSIJIIVSEDDVGT-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
CC1(C)C[C@@H](Nc2ccc(B(O)O)cn2)[C@@H]1O	2217200693	VHRDFDJYBPENND-SCZZXKLOSA-N	236.080	-0.667	50	10	BBGE	
CC1([C@H](CO)Nc2ccc(B(O)O)cn2)CC1	2217204224	GYDJMYQCFXWYTN-VIFPVBQESA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3C[C@H]3CO2)c1	2223626613	IQOHYOYTMFPGLI-QXEWZRGKSA-N	248.091	-0.402	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2223635170	TXEJGPPCNBOVQX-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@@H]2CNC[C@H]2C1	2223650524	NJNLGZDOHAWPRY-RKDXNWHRSA-N	247.107	-0.829	50	10	BBGE	
C=C(F)CNC(=O)C1CC(B(O)O)C1	2241481656	WTVUYJIHANQLEH-UHFFFAOYSA-N	201.006	-0.161	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@@H](O)CC1	2241586955	GOGDQSPQAVQLAM-CIUDSAMLSA-N	218.684	-0.065	50	10	BBGE	
C[C@H](CN1CCC=C[C@]1(C)CO)C(=O)NN	2242609400	SVZYKVZBNSHFEQ-MWLCHTKSSA-N	227.308	-0.375	50	10	BBGE	
O=C(NCC=CB(O)O)NC1CCSCC1	2242876142	FXHHGOMCWXJMRU-UHFFFAOYSA-N	244.125	-0.251	50	10	BBGE	
CN(C[C@]1(C)CC1(F)F)C(=O)C#CB(O)O	2243349138	GUHDLTBLAOJIKI-QMMMGPOBSA-N	231.007	-0.495	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(C1)CC2(F)F	2243361627	DWGAUXTZLDQHFM-UHFFFAOYSA-N	228.991	-0.694	50	10	BBGE	
CCC[C@@H](CN)NC(=O)C1(B(O)O)CCC1	2243364245	TVWWWWQZKIHSEB-QMMMGPOBSA-N	228.101	-0.373	50	10	BBGE	
CC(C)[C@@](C)(O)CNC(=O)C1(B(O)O)CC1	2243364704	BBXJWMUJYBOVNM-VIFPVBQESA-N	229.085	-0.483	50	10	BBGE	
CCCNC(=O)c1cccc(F)c1B(O)O	2243367504	UJLNKOHUISDCJK-UHFFFAOYSA-N	225.028	-0.355	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1csnc1B(O)O	2243378205	OQGAZWUJUGIWPO-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
C[C@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243383281	WOMRJQRFZXYBNE-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCC[C@@H]2C1	2243400754	HKZKMADCZANWIE-NXEZZACHSA-N	221.065	-0.350	50	10	BBGE	
CC(C)C[C@@H]1C[C@H]1CNC(=O)C#CB(O)O	2243404814	UWYVQROWBZBIMN-ZJUUUORDSA-N	223.081	-0.200	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2243413243	CBNOMBUQDOPHEH-KHONBHQKSA-N	227.069	-0.779	50	10	BBGE	
C[C@H]1NCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243413315	DIRQYKVZSCCBQM-KHONBHQKSA-N	226.085	-0.894	50	10	BBGE	
COCCCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243415656	ZLMGXNOSDSZZAB-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)[C@@H]1C[C@@H]1B(O)O	2245060038	IABVACDUYSDGBF-BDNRQGISSA-N	225.053	-0.856	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC2(CNC(=O)CO2)C1	2245327015	KRDCFGJWPOYOQN-ZETCQYMHSA-N	246.694	-0.411	50	10	BBGE	
CCCN(OC)c1nc(OC)ccc1B(O)O	2247143237	PRAPKXLFHYOXPF-UHFFFAOYSA-N	240.068	-0.452	50	10	BBGE	
O=C(NCCn1ccnc1)C1(B(O)O)CCC1	2247721754	HIZFSUMZQFBCTO-UHFFFAOYSA-N	237.068	-0.604	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1ccoc1B(O)O	2247743766	IXFWKVLBTDELFM-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
Cn1cc(NC(=O)C#CB(O)O)c(C(F)F)n1	2247747490	OEQHNQUFWCGBGB-UHFFFAOYSA-N	242.978	-0.688	50	10	BBGE	
O=C(NCC12COCC(C1)C2)C1(B(O)O)CC1	2247750744	NQXXEONZAWCZQZ-UHFFFAOYSA-N	239.080	-0.464	50	10	BBGE	
Cc1cnc(C(=O)N2CC(C)C2)c(B(O)O)c1	2247786571	CJUVLISURAGBTF-UHFFFAOYSA-N	234.064	-0.838	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247796724	CBRNIGUPGDBAAK-UDNWOFFPSA-N	241.096	-0.317	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C2CC(B(O)O)C2)CO1	2247797442	JREOXXDRZUXZBI-WOOKNIGNSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCc1ccncn1)C1CC(B(O)O)C1	2247803666	CEZHSUNQVNLBRK-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)C1CC(B(O)O)C1	2247805073	ATKQGCOZSIKFRF-AMUVOQDHSA-N	241.096	-0.387	50	10	BBGE	
CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808071	STJCUBMHHGJDSK-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
C[C@]1(O)CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810145	VDUQOZGYSDSSDO-SJQPAMGKSA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1cc(B(O)O)c[nH]1	2247850059	JEJWWAYWLFDRPK-SECBINFHSA-N	234.064	-0.633	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]2C[C@@H]21	2247850280	MHTGHPRWYZUUDC-XVKPBYJWSA-N	234.064	-0.681	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H](C)CF	2247855507	TYRAWSOZJPUBKF-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CN(CC1CC1)C(=O)c1cncc(B(O)O)c1	2247869257	OMTBWKLDGACKNN-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1occc1B(O)O	2247877862	FONQSAKEXPQGNI-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247886383	BDVPHOIKEWRBSO-GJMOJQLCSA-N	241.052	-0.987	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]1C2	2247894570	IGFOUSBIEQQFLH-VVULQXIFSA-N	239.080	-0.779	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898324	CIUIINGDDPKWEV-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(C=CCO2)C1	2247903806	NASOOLVBNMBTBE-DTORHVGOSA-N	237.064	-0.593	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2CC[C@H]2C1=O	2248081595	SRJMTUPMBRBSNG-SYDPRGILSA-N	247.201	-0.993	50	10	BBGE	
CC=CC=CC(=O)Nc1ccnc(B(O)O)c1	2248434449	YBMAPSUXLPZXRG-UHFFFAOYSA-N	232.048	-0.168	50	10	BBGE	
C[C@H](C(=O)O)N(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2248575184	YPFXKSVSIQIDRB-MHSYXAOVSA-N	241.052	-0.687	50	10	BBGE	
CC[C@@H](C)[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248593724	PWKJULJRKHNZIT-SFYZADRCSA-N	241.052	-0.993	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]1C1CCC1	2250006030	GSOWEYODIJKZKJ-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC[C@@H](O)C2)CC1	2250537885	QVONVEDNRCMACP-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(CO)C=CCCN1c1ccc(B(O)O)cn1	2253426599	DSXXHTLRRFMBDX-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
CC12COC(COc3cc(B(O)O)ccn3)(C1)C2	2254931638	HVJZRHMHOXNEFJ-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2255521532	XMCTUNNFLZYTAH-WPRPVWTQSA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@]12CCCC[C@@H]1C2)c1c[nH]nc1B(O)O	2255549163	FXXDIWUAQBALRE-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
O=C(NCCC1=CCCC1)c1cc(B(O)O)n[nH]1	2255555350	ZREQKMXOBXARCN-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2CC23CC3)c1B(O)O	2255579597	SVISYBDCHUGKKT-MRVPVSSYSA-N	246.075	-0.648	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N(CC1CC1)C1CC1	2255689761	PLNLQNIAJUYMGR-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1ccc(B(O)O)o1	2255714503	RDJIGKWXXZWELD-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@@H]3CCO[C@@H]32)c1	2298224468	HZHABCWPTMWGOO-QXEWZRGKSA-N	234.064	-0.792	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2298367864	YVBOIOBHIXHRTP-QUARPLMYSA-N	233.076	-0.495	50	10	BBGE	
N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C12CCC2	2298368649	QBTXAHJTWSZUHR-XGEHTFHBSA-N	238.096	-0.765	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369068	HYWWHZYASPBSPU-KJZNFTALSA-N	241.096	-0.483	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@H]1B(O)O	2298369911	IQPZZXRFDYHZON-SRQGCSHVSA-N	238.096	-0.813	50	10	BBGE	
O=C(NC[C@H]1[C@H]2COCC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298377274	KNWUYUISHVVZPF-GRDBIXFFSA-N	239.080	-0.752	50	10	BBGE	
CC1(CO)CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300368419	FIOQSHTZEOTEMA-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nnc3n2CCC3)C1	2303124514	NEXURWZAKYOTCY-MRVPVSSYSA-N	236.084	-0.727	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3CNCC[C@@H]32)nc1	2312614417	MNZQKDFXZLSPLD-MIMYLULJSA-N	248.091	-0.862	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2312848214	WYCNPHOOQVMNPV-BDAKNGLRSA-N	246.075	-0.614	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(CO)CC1	2317163132	NZYUISYBRRHXQM-UHFFFAOYSA-N	246.075	-0.578	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2c1ncccc1B(O)O	2318350213	JRPCHLQJAVPZPL-IQJOONFLSA-N	248.091	-0.625	50	10	BBGE	
O[C@H]1CO[C@H]2[C@H](Br)CO[C@H]12	38644734	CYDSHUXBYGPGJA-DPYQTVNSSA-N	209.039	-0.092	50	10	BBGE	
CCNC(=O)CN(C)C(=O)NC(=O)[C@@H](C)Cl	49724960	ZNYJLNCOAZHEPD-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CS(=O)(=O)c1cccc(OCC(=O)NN)c1	70156350	RWOXCCGFDPRTKB-UHFFFAOYSA-N	244.272	-0.541	50	10	BBGE	
COCCN(CCC#N)[C@@H](C)CC(=O)NN	82468795	IWBULJRKYJPRJI-VIFPVBQESA-N	228.296	-0.383	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCC[C@@H]2C1	86933488	ISSVBHZVKWENRX-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CSC	89995205	NKFQEJQGPXQJKT-BQBZGAKWSA-N	232.305	-0.078	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@H](C)CCC(=O)NN	104115367	IQMGURLBHJSNDF-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
Cc1cc(=O)c2nnc([C@](C)(O)C#N)n2[nH]1	106366201	BNJILXJBHYDVOI-SECBINFHSA-N	219.204	-0.543	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@H](C)CCC(=O)NN	110588606	POCXKLGHXMTCAK-SECBINFHSA-N	244.339	-0.412	50	10	BBGE	
O=C1CN([C@H]2CCN3CCC[C@H]3C2)CC(=O)O1	158876038	BECSQIHSIXWVJX-UWVGGRQHSA-N	238.287	-0.001	50	10	BBGE	
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	195851738	MQHXRECXBSFFAH-DJLDLDEBSA-N	228.101	-0.637	50	10	BBGE	
COc1c(B(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	217047397	JCVWQVVHDCBNEH-UHFFFAOYSA-N	241.952	-0.809	50	10	BBGE	
CCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223072444	KBYLHWHSEHCBOI-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1CC[C@@H](N(C)C)C1)C(=O)NN	223094186	ZHVUMVDEFFYVPX-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
COC[C@H](C(=O)NN)n1ccc(C2CC2)n1	232421123	WTTNTGUYZNAWSG-SECBINFHSA-N	224.264	-0.062	50	10	BBGE	
COC[C@H](Sc1ncns1)C(=O)NN	232421824	DLBSAXZADTUSGG-BYPYZUCNSA-N	234.306	-0.365	50	10	BBGE	
Nc1cc(Br)c(B(O)O)cn1	238596211	PNBMFMQKYLRFDM-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
OB(O)c1cnc(OC2CCC2)cc1F	238653506	AQGNQXVZPPRVGG-UHFFFAOYSA-N	211.001	-0.168	50	10	BBGE	
O=C(CN1CCOCC1)NN=Cc1ccncc1	254659952	WMMRREHQXCKDDT-UHFFFAOYSA-N	248.286	-0.136	50	10	BBGE	
C[C@H]1CN(C(=O)NC(=O)CCl)CC(=O)N1	307276358	VSFDQPLMJVQWID-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
CC(C)CONC(=O)NNC(N)=S	308167001	XYCRYZOEYCVSMY-UHFFFAOYSA-N	206.271	-0.379	50	10	BBGE	
Cc1nn(C)c(N)c1C=NN(C)C(N)=O	378846952	ALISYZRWALHOHG-UHFFFAOYSA-N	210.241	-0.345	50	10	BBGE	
CO[C@@H](C)CCN1CC(=O)OC(=O)C1	379619105	CFLUYPBXCZPVRS-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
CC[C@]1(N2CC(=O)OC(=O)C2)CCOC1	382100936	OIWCPFIUCUXIBR-JTQLQIEISA-N	213.233	-0.059	50	10	BBGE	
CCOC1CN(C[C@@H](C)C(=O)NN)C1	383049976	IFCBOIWHMKQURO-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
O=C1CN([C@@H]2CCCOCC2)CC(=O)O1	389669523	SXGWHPYTOKFDGH-MRVPVSSYSA-N	213.233	-0.059	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C\B(O)O)[C@@H]2OC(C)(C)O[C@H]21	393828717	HISPYFKZAYAYFO-MDIXKUMISA-N	244.052	-0.554	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1ccccc1B(O)O	404917785	QSBJWMQVZMTVHB-PSASIEDQSA-N	233.076	-0.361	50	10	BBGE	
C[C@H](O)C[N+]1=C=C([C@@H](C)Br)NN1	642832527	MQGOWQNWKWMYRI-NTSWFWBYSA-N	235.105	-0.261	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)C1	685957828	HVVSTZMNGHADDO-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12COC[C@@H]1C2	689285212	DUEDJHDDTLFJMX-WPRPVWTQSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(COC3)C2)n1	697145033	URWAULAHKVWIMW-UHFFFAOYSA-N	238.247	-0.890	50	10	BBGE	
NC(=O)CN1CCN(C(=O)CCCCl)CC1	700786774	SHSXCVGTERDQBF-UHFFFAOYSA-N	247.726	-0.365	50	10	BBGE	
N#Cc1cccc(Cn2ccc(B(O)O)n2)c1	703767420	BDECLOAQTPAFJD-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
C[C@@H]1CCN1C[C@H]1CC[C@@H](C(=O)NN)O1	706913893	HOKBYYLORYGSSG-HLTSFMKQSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718261615	WRZMBBHRUSNCCS-ISUQUUIWSA-N	239.319	-0.136	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CSC1	718343648	KCEGPWBNWRXKRL-UHFFFAOYSA-N	238.077	-0.937	50	10	BBGE	
N#Cc1cccn1Cc1nsc(C(=O)NN)n1	724347030	BHMXEZHJUCETFY-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724816121	LIZCHFYCZHKNNE-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
C/C(=C\C(=O)NNC(=O)c1cnn[nH]1)C1CC1	729457175	BATSJSXKAGKJNT-GQCTYLIASA-N	235.247	-0.078	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccn2nccc2n1	910183987	OWYTXJKNTAWGJV-MRVPVSSYSA-N	249.274	-0.313	50	10	BBGE	
Cc1coc(C(=O)NNC(=O)c2cn(C)nn2)c1	1130912068	HAYPTFCHNFNSCM-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCOCCO	1136171775	BJRSUVGAVPTZGY-CMDGGOBGSA-N	228.248	-0.445	50	10	BBGE	
O=C(CO[C@H]1CCOC1)NNc1nc[nH]n1	1161431354	DPXLUGHCOHAEGI-LURJTMIESA-N	227.224	-0.947	50	10	BBGE	
O=C(CO)NCCC(=O)NNc1ccccn1	1567156806	ZKNZSOTVOUVQJD-UHFFFAOYSA-N	238.247	-0.977	50	10	BBGE	
C=C(CO)C(=O)NN(C)C(=O)NCC	1632530780	SRVJTFSZPDACFJ-UHFFFAOYSA-N	201.226	-0.773	50	10	BBGE	
Cc1cc(=O)c(C(=O)NNc2cnnn2C)c[nH]1	1638740976	ZGOBSCWUIJDCLU-UHFFFAOYSA-N	248.246	-0.431	50	10	BBGE	
Cn1ccc(NNC(=O)Cc2cncn2C)n1	1648762806	LTZFIYAYYGZIPF-UHFFFAOYSA-N	234.263	-0.161	50	10	BBGE	
COc1ccc(S(=O)(=O)NNC=O)cc1	1858080447	DPYBBNYIBDXCHB-UHFFFAOYSA-N	230.245	-0.366	50	10	BBGE	
NC1(C(=O)NC2CC(Cl)C2)COC1	1881718831	KOIOYAOCBUTXKQ-UHFFFAOYSA-N	204.657	-0.400	50	10	BBGE	
CS(=O)(=O)N1CCN(C(=O)F)CC1	1882787210	JZPSUTABGJVMTF-UHFFFAOYSA-N	210.230	-0.347	50	10	BBGE	
C[C@H](N)CS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883564068	PWBDFASKOOESQW-XVMARJQXSA-N	226.729	-0.120	50	10	BBGE	
C[C@](N)(CO)CNC(=O)[C@@H]1C[C@@H]1Cl	1883638951	JKQFNXSEDAFRDY-GKROBHDKSA-N	206.673	-0.560	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H]2Cl)COC1	1883645827	SLSFHFYORQBZRA-NTSWFWBYSA-N	204.657	-0.542	50	10	BBGE	
O=C(NN1CCNCC1)[C@@H]1C[C@H]1Cl	1883646113	VXERPXYFDVXXIO-RNFRBKRXSA-N	203.673	-0.450	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CCO	1888562204	QWVQICRJDJDMIZ-UHFFFAOYSA-N	224.282	-0.928	50	10	BBGE	
O=S(=O)(CC1CNC1)NC1CC(Cl)C1	1891593266	PYZDOBIBTRMVPW-UHFFFAOYSA-N	238.740	-0.105	50	10	BBGE	
Cn1[nH]c(=N[C@H]2C[C@H](Br)C2)[nH]c1=N	1892898495	OIOGJQHUWBAWQW-URHBZAFASA-N	246.112	-0.013	50	10	BBGE	
Cn1nnnc1CCNC[C@H]1C[C@H]1Cl	1893119772	QOFUAXCLHXQRNI-RNFRBKRXSA-N	215.688	-0.031	50	10	BBGE	
O=C(CC1(O)CNC1)NC[C@H]1C[C@@H]1Cl	1893127168	GGWXSKRURPTJJQ-RQJHMYQMSA-N	218.684	-0.546	50	10	BBGE	
O=C(N[C@H](CO)CCCO)[C@H]1C[C@@H]1Cl	1893462471	YSLQUVAXLCTJLE-FXQIFTODSA-N	221.684	-0.137	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@H]2Cl)CCCN1	1893470982	YKCQQHCNPNQFQY-NKWVEPMBSA-N	216.668	-0.038	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@H](C(=O)O)[C@@H]2C1	1895257432	GVXBAXIEBFOJIC-BIIVOSGPSA-N	227.264	-0.175	50	10	BBGE	
CN(NC(=O)[C@H]1CNC12CCC2)S(C)(=O)=O	1901374772	GPWWTYDUADMANJ-SSDOTTSWSA-N	247.320	-0.949	50	10	BBGE	
C[C@@H](CNC1CC1)C(=O)NN(C)S(C)(=O)=O	1901378426	ZYXQDPQLFYCNEF-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)C(=O)C(=O)NN	1906084219	TVQYDVIZMYOWEO-XRGYYRRGSA-N	203.217	-0.817	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1906496906	ZMQPJDRYBYYBTK-QYNIQEEDSA-N	247.245	-0.132	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC=CC[C@H]1CO	1909020106	YPJBUBZZERYLPT-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
COc1ccccc1C=CC(=O)NCB(O)O	1911738795	NDCHWCQXPOXIIS-UHFFFAOYSA-N	235.048	-0.163	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CC3)C2)cc1	1914552034	RJDKGKHYRTYCKZ-UHFFFAOYSA-N	217.077	-0.038	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1C[C@@H]1C(=O)NN	1916510238	DULKPMWSHNHHTK-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1[C@@H]2CCO[C@@H]21	1923406702	NGTPVVHFOWJCIU-LMVFSUKVSA-N	238.165	-0.269	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NCB(O)O	1927829502	OTVSNIIPPZDQOC-LURQLKTLSA-N	211.070	-0.203	50	10	BBGE	
CN(CC1CSC1)C[C@H]1C[C@@H]1C(=O)NN	1927913876	OFCKGIVIPIQPKL-BDAKNGLRSA-N	229.349	-0.093	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1CN(C)C1	1928159519	CNBSSCJFPQTVJM-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOCC(C)(C)C1	1928483570	VVAZKKQPEDJFMH-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
O=C(NNCCO)c1ccc(O)c(O)c1	1929836820	PQKURDJMFHUJPJ-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
COCCCN(C)CC1(C(=O)NN)CC1	1931259935	BHICWCPLUIBYMW-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CN(C)C2)C1	1932061571	WNMFTUQKBVPOJB-MRVPVSSYSA-N	212.297	-0.998	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CO[C@@H](C2)C1	1932133247	BSEZLERYXFDOLA-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1935769910	AZZKZSAGCJBWFB-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2[C@H](C1)C2(F)F	1936089496	CVPZXZZMXRYLCW-FKSUSPILSA-N	231.246	-0.191	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)n1	1936092182	SMDRTWUCCIMTEI-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
O=C(Cn1cnnn1)N1CC2CC1(CCl)C2	1937159926	OGYKFTDGBJMWHB-UHFFFAOYSA-N	241.682	-0.097	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1CO	1938248342	FCAQMCFUZNWYBM-IUCAKERBSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@H]2COCC[C@H]21	1940342542	AUCHJTRLVXJPBZ-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940645181	PGGRDGGCMCTKDN-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@H]2C[C@H]2C(=O)NN)C1	1941072904	KOBIZCPJQDXCSZ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
Cc1nn(C[C@H]2OCC[C@@H]2C)c(C)c1B(O)O	1947085448	AKMWYFIVBMZEOC-OIBJUYFYSA-N	238.096	-0.395	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@]12CC[C@H]1C2	1951283427	CNKCVXOOHBCIAF-WRWORJQWSA-N	232.048	-0.500	50	10	BBGE	
CC(C)(C)[C@H]1OCCC[C@]1(N)B(O)O	1955483810	RTOAFAFETNZPQH-VXNVDRBHSA-N	201.075	-0.079	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCn1ncnn1	1955557961	ICUZOOOXDAFFKI-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
C[C@]1(C(N)=O)CCN(C[C@@H](O)CCl)C1	1956260273	HXZXKJHPYQPYKW-CBAPKCEASA-N	220.700	-0.217	50	10	BBGE	
N#C[C@H](Cl)CN1CCS(=O)(=O)CCN1	1957241563	CUADDEHKUXGXFX-ZETCQYMHSA-N	237.712	-0.648	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(O)(CN)CC1	1957255539	GTTAZTBUBAYYJU-MRVPVSSYSA-N	217.700	-0.097	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281410	QXCBSPOLVPASOG-YTLHQDLWSA-N	237.708	-0.227	50	10	BBGE	
COc1cc(C(=O)NNC(N)=O)ccn1	1957723910	MVJFPYKKHUZQOF-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
Cc1nnc2ccc(C(=O)N(C)N)cn12	1958558654	BEKLEHAKZMADRC-UHFFFAOYSA-N	205.221	-0.017	50	10	BBGE	
C[C@@H](CNC(=O)NN(C)C)[C@H](F)C(=O)O	1959186139	PEPQVNQHKZKQJG-WDSKDSINSA-N	221.232	-0.179	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1CC2(F)F	1975576561	HDLOOEQYAOFAQG-KVQBGUIXSA-N	233.218	-0.474	50	10	BBGE	
C[C@H](CO)S(=O)(=O)N1CCC(O)(C#N)CC1	1975688721	PFBPBAZSKTYBOX-MRVPVSSYSA-N	248.304	-0.953	50	10	BBGE	
CO[C@@H](C)[C@H](CC(=O)O)NC(=O)NN(C)C	1979148925	FABCTKBGZVFZCM-BQBZGAKWSA-N	233.268	-0.360	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N([C@H](C)CC(=O)NN)C1	1979551554	PZRRWKCFHGWZHL-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN(C2CC2)CC1	1980758199	HEHOKKXYEAGWOR-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)c1nc[nH]n1	1984361999	NNSRVONLPJCIAZ-ZCFIWIBFSA-N	243.248	-0.749	50	10	BBGE	
C[C@]12CN(C(=O)C(=O)NN)CC[C@@H]1C2(F)F	1987699028	UTJBUHNYYWUORL-XNCJUZBTSA-N	233.218	-0.520	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]1C(C)(C)O	1989117166	IAJKXMBHYOBVIZ-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CN(Cc1nnnn1C(C)(C)C)C(=O)NN	1990997076	DTDDGYYRAWIXOY-UHFFFAOYSA-N	227.272	-0.557	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CNCC[C@H]1CO	1991652697	QIKMEWQUFJCYRE-JGVFFNPUSA-N	246.694	-0.605	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1cncc(B(O)O)c1	1995035057	APGZCHGFWBMWQH-XVKPBYJWSA-N	225.028	-0.112	50	10	BBGE	
CCN1CCN([C@@H](C)[C@H](C)C(=O)NN)CC1=O	1996756658	VNRGXNKENVTRHI-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)CCCN1C[C@@]2(CCOC2)CC1=O	2003930584	LGUANMTVRIMXNW-LLVKDONJSA-N	241.291	-0.605	50	10	BBGE	
CN(OCC(F)(F)F)c1ccncc1B(O)O	2004911931	MRFUIKVTPSPFPX-UHFFFAOYSA-N	249.985	-0.309	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H](CF)C2)nc1	2004918960	SDRNUTLTTAFGQE-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
COc1nc(OC2CC=CC2)ncc1B(O)O	2004933433	HJTVYPXKGOFLIB-UHFFFAOYSA-N	236.036	-0.738	50	10	BBGE	
C[C@]1(Cn2cccc(B(O)O)c2=O)CC1(F)F	2008840842	RXIKZHZBEJYXMD-SECBINFHSA-N	243.018	-0.427	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](n3cccn3)C2)CC(=O)O1	2012295871	HFFNRZJYOCACQP-DTORHVGOSA-N	235.243	-0.028	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	2013675954	CZZLEBZNKFXFLS-YTWAJWBKSA-N	238.335	-0.609	50	10	BBGE	
CCC1(CC)C[C@H](N(C)C(=O)C(=O)NN)CO1	2015415083	IXOGXNIVWJKQQI-QMMMGPOBSA-N	243.307	-0.218	50	10	BBGE	
O=C(NCC#CB(O)O)C12CCC(F)(CC1)C2	2021106071	ALTNIEARYQKMRA-UHFFFAOYSA-N	239.055	-0.210	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1ccccc1B(O)O	2022196520	NNHAWCUCTHEKME-MRVPVSSYSA-N	232.048	-0.744	50	10	BBGE	
C[C@@]12CNC[C@@]1(C(=O)N1CCC(O)(C#N)CC1)C2	2046819925	OBGAAVXYNUXNAG-DGCLKSJQSA-N	249.314	-0.137	50	10	BBGE	
CN(Cc1cccnc1)c1ncncc1B(O)O	2052467946	XDTZVKWEWHTFTN-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1nc(N2CCC3(CCC3)C2)ncc1B(O)O	2052553267	FOBBKDGZGZTZOY-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
N#Cc1c(B(O)O)ccc(Cl)c1[N+](=O)[O-]	2060111289	MOKBJGMCYAZMBD-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
Cc1ncn(C)c1COc1cncc(B(O)O)c1	2068322018	OQVUPFKOMOTRBW-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(NC[C@H]1CCOC1)c1ccccc1B(O)O	2079008626	AIMWRNUAHMNPQL-SECBINFHSA-N	249.075	-0.867	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1Cc2ncnc(O)c2C1	2085233913	AUOGIORNAOXDSQ-RNFRBKRXSA-N	249.274	-0.876	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2210212863	FNOXKXFEIZYVQF-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
Cn1cccc([C@H]2C(=O)NC(=O)[C@@H]2Cl)c1=O	2210240813	XMLCBVQWLJKERB-RNFRBKRXSA-N	240.646	-0.267	50	10	BBGE	
COc1cnn(Cc2nscc2B(O)O)c1	2211136923	XZZPRASMTYTFDH-UHFFFAOYSA-N	239.065	-0.924	50	10	BBGE	
C[C@@H](CN)SCC1(C(=O)NN)CCOCC1	2212443555	SYQMQQXZTGITEG-QMMMGPOBSA-N	247.364	-0.147	50	10	BBGE	
OB(O)c1ccnc(NCc2cnc[nH]2)c1	2212601788	SXDOTPICDKXRNQ-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
C#CCSCCNc1cc(B(O)O)ccn1	2212602368	CJFWZICMGNPBHE-UHFFFAOYSA-N	236.105	-0.460	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cn2)CSC1	2212604669	YNNQYWXDJWHDOI-UHFFFAOYSA-N	238.121	-0.074	50	10	BBGE	
CCOCCOCCOCCNC(=O)NN	2212629706	PXFPJVKAZXANTG-UHFFFAOYSA-N	235.284	-0.771	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCOC[C@@H]2C3)nc1	2217183332	HLBNRYKWZYCKQP-GZMMTYOYSA-N	234.064	-0.648	50	10	BBGE	
NCC1(CNc2ncccc2B(O)O)CCC1	2217185519	YNZBUVRNRGNXKK-UHFFFAOYSA-N	235.096	-0.698	50	10	BBGE	
CNCC1(COc2cc(B(O)O)ccn2)CC1	2217186034	FJCGSRFHFAYXOB-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
C[C@@H](CN)CCCOc1cc(B(O)O)ccn1	2217194894	YGLFDJIARNZDPD-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
NC1(C2CN(Cc3cccc(B(O)O)c3)C2)CC1	2220053900	MNKRACYSCODUCP-UHFFFAOYSA-N	246.119	-0.711	50	10	BBGE	
C#CC[C@](C)(CO)CNc1cc(B(O)O)ccn1	2223626344	HVFRXRFVVHMEQQ-LBPRGKRZSA-N	248.091	-0.805	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1Nc1ccc(B(O)O)cn1	2223630082	XXHXVLGINJVONF-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N2Cc3conc3C2)cc1B(O)O	2223654002	WZTISFYJMQLHOP-UHFFFAOYSA-N	245.047	-0.422	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@H]3CNC[C@@H]3C2)c1	2223670374	WYHBJTXOXITLIJ-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@@H]3CCC[C@H]32)c1	2223676301	ZLWBPSSTVNRSDB-GHMZBOCLSA-N	248.091	-0.481	50	10	BBGE	
C[C@@H](C#N)CNS(=O)(=O)N1CC(Cl)C1	2241353058	BFSXVTCMYHNEJQ-LURJTMIESA-N	237.712	-0.097	50	10	BBGE	
O=C(C#CB(O)O)NC1CCSCC1	2241468081	HFFICZLFOOBKPV-UHFFFAOYSA-N	213.067	-0.986	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)s1	2243349551	NBKUOCUIGSQBCG-KPCSLPGQSA-N	237.089	-0.434	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(B(O)O)s1	2243350343	ZQVFKJYOBVFJBH-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccsc1B(O)O	2243358349	FUOWXDARURBNAR-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)OC(F)F	2243366265	ZPJICTRUEWPVNT-RXMQYKEDSA-N	237.011	-0.263	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1csnc1B(O)O	2243378226	PCSINAPTWFHRMK-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
Cc1cc(C(=O)N(C)C2CC2)c(B(O)O)s1	2243378488	UMBDQSFQCAOWQW-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
C=CCOCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243395723	BDCJXIVMIBZUHJ-DTWKUNHWSA-N	227.069	-0.490	50	10	BBGE	
C[C@H](c1ccco1)N(C)C(=O)C#CB(O)O	2243400908	JMAGBKNFBBRGTB-MRVPVSSYSA-N	221.021	-0.186	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1N	2243408747	UOEDRLLJSYGZCH-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
CC1(C)[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416176	ICSZWHMABKBVLE-GJMOJQLCSA-N	227.069	-0.779	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)o2)C1	2247739789	BLGVRXIFWXLCSK-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
CCO[C@@H]1C[C@@H](NC(=O)C#CB(O)O)C1(C)C	2247743357	CHVGZJFHJPFMJM-RKDXNWHRSA-N	239.080	-0.678	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC12CCC2	2247754488	DWLLPLBXADOWIA-MRVPVSSYSA-N	238.096	-0.667	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247758993	XZYYQXVHRLPHTD-RKDXNWHRSA-N	243.112	-0.093	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)ccc1C	2247760679	LTIAZAZXJVBIAO-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247769236	GDVMKKKEKZTHKV-XCBNKYQSSA-N	234.064	-0.710	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2247804563	HMHHUDAIFNJZDR-JLIMGVALSA-N	241.096	-0.483	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2247807721	RSZHGBVFKBNKHS-JGVFFNPUSA-N	235.052	-0.736	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCNCC12CCC2	2247808558	LQEPNCNISRCYPO-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)C1CC(B(O)O)C1	2247809614	QCCULZFKBNFYEN-AMUVOQDHSA-N	241.096	-0.123	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCC[C@@H](O)C1	2247851987	NAALBGQNALSFNS-NXEZZACHSA-N	239.080	-0.941	50	10	BBGE	
CCOC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247855014	MELQRFIUESIDHZ-BQKDNTBBSA-N	241.096	-0.077	50	10	BBGE	
CCNC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247859730	OOFJLADPQTWDBZ-ZJUUUORDSA-N	240.112	-0.550	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(C(F)F)C1	2247879666	WYKBNPQKJHLFFV-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)C2CC(B(O)O)C2)CCN1C	2247891703	MSMSFQFIFMDHLN-SEZDTBSWSA-N	240.112	-0.552	50	10	BBGE	
CC(C)c1cc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)[nH][nH]1	2247895414	SCCYIYQNICDSKN-RQJHMYQMSA-N	237.068	-0.244	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905962	WDEXKQMQQDBLRW-NGZCFLSTSA-N	240.112	-0.421	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247908846	AVYAARPVIXWEPC-KXUCPTDWSA-N	242.128	-0.271	50	10	BBGE	
C#CCCC(=O)NCc1ccccc1B(O)O	2248399109	ZBXYVFLIUSPADF-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249417400	FSNKXUIYYVAZFL-VIFPVBQESA-N	233.032	-0.899	50	10	BBGE	
CC=C1CCN(C(=O)c2cc(B(O)O)co2)C1	2249424924	ZBFNDSCDLGJQRV-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CCC[C@@H]21	2249998420	IRLNHKXCHLEOIM-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1ccc(B(O)O)o1	2255465990	ROBMVOYMEFRXKK-YUMQZZPRSA-N	249.075	-0.265	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1occc1B(O)O	2255491560	YSAQNSUCBKMSPS-VGMNWLOBSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccn(NC(=O)c2ccc(B(O)O)cn2)c1	2255517333	BTFACDVXNGCLCF-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
Cc1coc(NC(=O)c2ccc(B(O)O)cn2)n1	2255519304	VUMOURFTUWVHJY-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2255668654	CLRKOKZRLGBPHZ-SECBINFHSA-N	249.075	-0.004	50	10	BBGE	
C=CC1CCN(C(=O)c2ccoc2B(O)O)CC1	2255710022	FHRGYAYIYYMPIW-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@@H]2C[C@@H]2C1	2255714788	WECPGJQOSPISLN-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
O=C(NCc1cncn1C1CC1)[C@H]1C[C@@H]1B(O)O	2255782699	GLQOBSKOBOMXQO-UWVGGRQHSA-N	249.079	-0.303	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@H](C)[C@H]1C	2257494476	ZBNCUXXKYPKSDP-DTWKUNHWSA-N	248.091	-0.450	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1cocc1B(O)O	2258122858	HYXIHASLFRTYJK-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2298256359	NXTVMTYRMRTSBC-YGOYTEALSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@@]1(C2CC2)CCOC1)[C@@H]1C[C@H]1B(O)O	2298377118	FJMZIKWFYBVWMR-KKZNHRDASA-N	239.080	-0.465	50	10	BBGE	
CNC(=O)C[C@@H]1CCCN(CCC(=O)NN)C1	2299679694	JNDVSJOCDRSNHP-VIFPVBQESA-N	242.323	-0.786	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](N)CCC(N)=O	2302404694	AVHYKLGLEAPZSV-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
CC[C@](C)(CN1CC([C@H](F)CO)C1)C(=O)NN	2303410733	PBWSBYHXUQSACE-MWLCHTKSSA-N	247.314	-0.345	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CC[C@H]1NC2	2325308552	OUSOODDQJDCWDV-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H](NC(=O)N(CCCl)N=O)C(N)=O	6032449	UKTDZTRUMWTDID-SCSAIBSYSA-N	222.632	-0.208	50	10	BBGE	
COc1ccc(N(C)C(=O)C(=O)NN)cc1	49976261	ATFRTMTYKVDJMF-UHFFFAOYSA-N	223.232	-0.352	50	10	BBGE	
CC(C)=NNC(=O)n1cnc(C(N)=O)c1N	82291573	KNAOZMPRTAPVAY-UHFFFAOYSA-N	224.224	-0.482	50	10	BBGE	
NNC(=O)CCn1c2c(ccc1=O)C(=O)CCC2	161050156	KJROTMBYRRPANP-UHFFFAOYSA-N	249.270	-0.253	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\N(CCO)CCO	217182175	IULYMRMUUGRUBJ-NTMALXAHSA-N	241.291	-0.795	50	10	BBGE	
COCCN(C)Cc1cccc(C(=O)NN)n1	234609245	PDXYRXSTUKUKKC-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
N[C@@H]1[C@H](Cl)C(=O)N[C@H](F)[C@H]1Cl	307213533	XYRQWFMYIQVOTP-LDHWTSMMSA-N	201.028	-0.046	50	10	BBGE	
O=C(CCCl)N1CCOC[C@@H](O)C1	307735359	XLLKFQRVWOUSCX-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
CO[C@H]1COCC[C@@H]1NS(=O)(=O)CCl	310480423	LFSAEERWVWQUCF-BQBZGAKWSA-N	243.712	-0.094	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](O)CC1	378689767	HPSHFNHYIFZICM-VIFPVBQESA-N	229.280	-1.000	50	10	BBGE	
NC(=O)NN=C1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2	379704305	QATDXYJSLCJZNB-UELCQGJWSA-N	209.205	-0.408	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1CC1	386631478	GNOJDLRCAGZQHU-UHFFFAOYSA-N	210.237	-0.128	50	10	BBGE	
CSC[C@@H](C)NC(=O)NNC(N)=O	388316795	VJJWXBGPBUGHTA-SCSAIBSYSA-N	206.271	-0.380	50	10	BBGE	
O=C(CCl)Cc1cccc(CO)c1B(O)O	396046522	ASLDGSKNGAJUFE-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
CCOC(=O)CCc1ccc(O)cc1B(O)O	396050361	FVBUQORVICOSEX-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
O=C(O)CCc1cc([N+](=O)[O-])ccc1B(O)O	396058468	WVFSENGKIOPULM-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1C#N	396115095	VTYXWMNLVOBWMG-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
Nc1cc(B(O)O)cc2scc(CO)c12	396245816	NKMSCSRWZLHDAQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)C[C@H]1O	399887696	GWXIDDDCNPXWBW-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCOC1(C)CN([C@@H](C)C(=O)NN)C1	399890576	AVIJRTXDVUGYFX-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
Cc1ccc(B(O)O)c(N[S@@](C)=O)c1	404990083	VEBJFGUXRXHSOP-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
C[C@@H]1C(C#N)=C(N)O[C@H]2CCS(=O)(=O)[C@H]21	606654327	FITSQKVUOFOMJK-DTLFHODZSA-N	228.273	-0.098	50	10	BBGE	
CC(C)(CN1CC[C@@H](CC(N)=O)C1)C(=O)NN	690736548	IUVFKDJAVREMQM-QMMMGPOBSA-N	242.323	-0.800	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2nc[nH]n2)CC1	692070332	MHTMFHXUTOXLEE-UHFFFAOYSA-N	221.220	-0.705	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1CC[C@H](C(=O)NN)O1	692175726	XPGLUGACCZTXEX-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
Cc1nn(C/C=C\Cl)c(C)c1B(O)O	694266805	DLTXHUVTWVEVKD-ARJAWSKDSA-N	214.461	-0.068	50	10	BBGE	
O=C(CC(C1CC1)C1CC1)NCB(O)O	702027935	ADYYAGBTKKRVRY-UHFFFAOYSA-N	211.070	-0.059	50	10	BBGE	
CCOC[C@H]1CCCN1[C@@H](C)C(=O)NN	702799026	YHJHAZHDVALLNP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1COC[C@H]1OCCCC(=O)NN	705853184	DXYMNNZZIUOWPH-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](S(N)(=O)=O)C1	707499148	OCHPFZJJYUWOAS-RITPCOANSA-N	240.712	-0.497	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C=C[C@@H](N)C2)CC1	709386639	RFFBMGVBWPXZIX-NXEZZACHSA-N	235.287	-0.233	50	10	BBGE	
CCNC(=O)N1CCc2ccc(B(O)O)cc21	712957064	QKVBSKNHSQHEDO-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H](F)[C@H](F)C2)cc1	714518224	LTEMCALIDIMJNS-PHIMTYICSA-N	241.046	-0.142	50	10	BBGE	
Cc1nn(C[C@H]2C[C@@H]2C)c(C)c1B(O)O	722833400	IWWDVNLCBNHBQD-IMTBSYHQSA-N	208.070	-0.164	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C2CCC1(CO)CC2	723022104	CYURFIGJFBCPLT-SQLBVSGCSA-N	241.335	-0.010	50	10	BBGE	
CSCC(=O)NNC(=O)c1cn[nH]c1	761047432	XFPAXPGCMZOIQF-UHFFFAOYSA-N	214.250	-0.466	50	10	BBGE	
CC(=O)NCC(=O)NNC(=O)[C@H]1CCCS1	819654132	YNHJNLSIEXVTSN-SSDOTTSWSA-N	245.304	-0.835	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NN(C)C(N)=O)C1	831519577	OPRNPMKHMNXFCH-BQBZGAKWSA-N	215.253	-0.157	50	10	BBGE	
NC(=O)C(=O)NN=C1C[C@H]2C=C[C@@H]1CC2	842519555	ORWCRIAXYPMOIE-NKWVEPMBSA-N	207.233	-0.070	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(COC)CCOC1	848378012	GWLUSJXBXWZDIJ-LLVKDONJSA-N	246.307	-0.351	50	10	BBGE	
CNc1cnc(C(=O)NNC(=O)C(C)C)cn1	858143449	KNAIRTBYBATMMD-UHFFFAOYSA-N	237.263	-0.065	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1COCCO1	862504026	OQNBIFWIBUTWNU-SNVBAGLBSA-N	237.259	-0.330	50	10	BBGE	
CCC/C=C\[C@H](O)C(=O)NNC(=O)C(C)(C)O	907626094	KVEGBRYFKHWADY-UAPHAKCISA-N	244.291	-0.378	50	10	BBGE	
Cn1cncc1CC(=O)NNC(=O)NC1CC1	1142318275	BFHCMIBHFHQBLN-UHFFFAOYSA-N	237.263	-0.545	50	10	BBGE	
COCCN(C)NC(=O)c1coc(OC)n1	1351540046	UKKXAASTBJBNGN-UHFFFAOYSA-N	229.236	-0.094	50	10	BBGE	
CCN(CCO)NC(=O)CCN1CC[C@H](F)C1	1452326548	GHBQVRMCRBORBA-JTQLQIEISA-N	247.314	-0.234	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C(=O)O)[C@H](C)O	1865770312	QWITUMIMJALCSI-YUPRTTJUSA-N	209.629	-0.436	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCB(O)O	1880032967	ZKWHTVCBUMHDMZ-LURJTMIESA-N	246.072	-0.972	50	10	BBGE	
O=C(Cn1ccnn1)NOCCBr	1883018261	HCNBZMOABRHTBP-UHFFFAOYSA-N	249.068	-0.279	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCOCC[C@@H]1N	1884594369	DIFCXCVRILMECY-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CN(CCNCC#CCCl)S(C)(=O)=O	1884825204	LXJHSXDSVKAJIV-UHFFFAOYSA-N	238.740	-0.290	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cncn1	1885134962	NDMZZDMTWVZVRP-UHFFFAOYSA-N	205.168	-0.707	50	10	BBGE	
C[C@@H](O)CCN1CC[C@@](C)(B(O)O)C1	1891490765	FWKOYYDNIKCNBO-RKDXNWHRSA-N	201.075	-0.304	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@@H]2Cl)COC1	1893462585	ZVYMROKVEQZONR-BQBZGAKWSA-N	218.684	-0.295	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1893468893	CQPPUGIKRJPQPC-RITPCOANSA-N	238.696	-0.887	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCCO2)O1	1896175686	KVLQZBVRDTZUNM-BDAKNGLRSA-N	229.280	-0.449	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	1899869445	CAGUQVDUHCQICZ-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
CN(NC(=O)[C@]1(C)CC[C@]1(C)N)S(C)(=O)=O	1901339487	OQDGRCCLFGEDQX-IUCAKERBSA-N	249.336	-0.574	50	10	BBGE	
Cc1nccn1CCOC[C@@H](C)C(=O)NN	1901435640	JAYTZJDCELTPRZ-MRVPVSSYSA-N	226.280	-0.166	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2COCCCO2)C1	1902518551	UKECTMWNFWLGBM-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
Cc1ncn(Cc2nc(B(O)O)cs2)c1C	1902655916	CEQAKSJVFYJZQU-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)C1	1902663179	PJOKAIVGKNGGPJ-DTWKUNHWSA-N	222.053	-0.980	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(=O)N(C2CC2)C1=O	1906949092	WYYKDWYFRVXZKZ-ZCFIWIBFSA-N	240.263	-0.819	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914017400	CXMUBDQLVYVKGE-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CON1CCN([C@@H](C)[C@@H](C)C(=O)NN)CC1	1915710717	LWKRJSLUHGONMF-BDAKNGLRSA-N	230.312	-0.820	50	10	BBGE	
N#CC1=CCN([C@H]2CS(=O)(=O)C[C@@H]2N)CC1	1917076253	NEEUJTXCZIXEJJ-UWVGGRQHSA-N	241.316	-0.734	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CN2CCC1CC2	1930903973	ISQUPAHGGZNZJX-SSDOTTSWSA-N	228.321	-0.807	50	10	BBGE	
CN(C)C[C@H](O)CN1C[C@@](C)(CCl)C1=O	1931734759	HHYXFGMWXJGWRQ-WCBMZHEXSA-N	234.727	-0.004	50	10	BBGE	
NNC(=O)N(CC(N)=O)Cc1ccccc1	1931985665	ZIQHMWOSMWYCHE-UHFFFAOYSA-N	222.248	-0.443	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CC(F)(F)C(=O)NN	1935933282	WWVGGUYCVBVLGV-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
CN(C)[C@]1(C)CCN(CCCC(=O)NN)C1	1937549799	WXYZEDBDWIAAIH-LLVKDONJSA-N	228.340	-0.218	50	10	BBGE	
CCCCN(CC(N)=O)C[C@@H]1C[C@H]1C(=O)NN	1941084886	AHDSMDQSFLJXDX-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
CN1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1(C)C	1941089605	WMGCASKWDNHKOP-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCCCO1	1941784088	JIUPVCKUSVVYHK-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC(C)(CN1C[C@@H](O)[C@H](C2CC2)C1)C(=O)NN	1943083490	LRFXNUKROLXWLZ-VHSXEESVSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944604291	POADQJKGWJYSST-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN1CCN(C[C@H]2C[C@@H]2C(=O)NN)C(C)(C)C1	1945279926	FZEQPFXJQRMYMW-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](O)C1CCN(CC2(C(=O)NN)CC2)CC1	1945884571	SSIUWDUNKPRZBJ-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550112	VDVWPJXSMPLXIJ-ULHDWMFZSA-N	221.684	-0.988	50	10	BBGE	
CCSc1ncc(B(O)O)c(OC)n1	1956966060	OXKIDQPVEUTWAW-UHFFFAOYSA-N	214.055	-0.723	50	10	BBGE	
CN(CC(=O)NN)Cc1cnn(C)c1Cl	1957517686	OXBTUGZUPOXZFP-UHFFFAOYSA-N	231.687	-0.505	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncon1	1958699930	SYNCOWSTMKSFSY-ZCFIWIBFSA-N	213.241	-0.730	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)[C@H](C)C1	1959005853	BQXIJLPTKWXGQT-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CN(C)C1CC2(C1)CN(CC(=O)NN)C2	1960024244	OMNHYGMOHSBRPE-UHFFFAOYSA-N	212.297	-0.998	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@@H]2C[C@H]21	1960967094	PSAKHUXXOSDQGV-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
CC[C@@H](CNC(=O)C(=O)NN)C(C)(F)F	1961510185	ZOOPIRSZMOTFGM-YFKPBYRVSA-N	223.223	-0.226	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	1961815379	OAADZJLMVBSYRM-YOWKYNACSA-N	209.249	-0.863	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961926423	MUOJTHNMEDRYRT-SPFKKGSWSA-N	235.711	-0.598	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)nc(C)n1	1963021972	ABPOBSMEAMAQBF-VIFPVBQESA-N	249.079	-0.218	50	10	BBGE	
C=C(C)CCn1cccc(B(O)O)c1=O	1975101155	NVUMXOVEUVVPPJ-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CO[C@H](C)C1)C(=O)NN	1975825582	BPOFPLNNZHLGBM-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
COCC[C@@H](COC)N(C)CCC(=O)NN	1979244084	QVXRTTRYERCUCO-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CN1CCN(CCN[C@@H]2COC[C@@H]2Cl)CC1	1980708035	GXPRNXUUSCAKEI-WDEREUQCSA-N	247.770	-0.170	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2COCC[C@H]21	1980814850	YWVSGJMHGCNARV-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@@H]32)nc1	1981413174	CEVBDLJNBXSKKD-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)C[C@@H]1C	1981413607	IRCFPEOJIFOWSS-YUMQZZPRSA-N	221.069	-0.751	50	10	BBGE	
OB(O)c1ccc(N2CCC3(CC3)C2)nc1	1981414252	PMSLOTYHJDHQQQ-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
CCCN(CCC)c1ncncc1B(O)O	1981415220	BFWPNJPSIWMFQO-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
COC1CN(Cc2cnsc2C(=O)NN)C1	1981729628	BUGBBNGNCDMSJB-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
CNC[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648839	UGOUCJFDEJGJHI-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
CN(CCc1nn[nH]n1)C(=O)C=CC(=O)Cl	1991654049	GROXZTDSBSJZDY-UHFFFAOYSA-N	243.654	-0.478	50	10	BBGE	
CN1C[C@@H](N(C)C(=O)/C=C/C(=O)Cl)CC1=O	1991715364	TUVYKAYUYXLNIJ-SDLBARTOSA-N	244.678	-0.003	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@H]2C[C@@H]21	1992152790	ISKOZEMADJYXFM-AEJSXWLSSA-N	221.065	-0.446	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](O)C1(C)C	1993463299	CYTCPTHIIWQUMH-YUMQZZPRSA-N	229.324	-0.154	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)C(=O)NN)CC12CCC2	1995104416	FYLSJKSEMDZYHK-BQBZGAKWSA-N	227.264	-0.950	50	10	BBGE	
COCCO[C@@H]1CCN([C@H](C)CC(=O)NN)C1	1996764779	NGUOXDFICHJTSU-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H]2CC[C@H]21	2002917387	SEFFUKDKDCXFRW-UKKRHICBSA-N	240.351	-0.221	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1C[C@@H](O)[C@@H]1C	2011372113	GOGMPDDRPMJVGZ-IMTBSYHQSA-N	239.275	-0.243	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccccn1	2019210709	OKSWBPATEWCWJN-UHFFFAOYSA-N	236.275	-0.319	50	10	BBGE	
CCC[C@H]1C[C@H]1COc1ncncc1B(O)O	2022578853	IYURVJQBSLPDBL-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2026821304	RDBMFULRISPKIV-OMHSBUABSA-N	231.060	-0.205	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)[C@H]2CC[C@@H]21	2052472188	KFDICFKGHRYEFF-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2052473452	SNOQNVUFNACLEJ-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
C[C@@H]1CN(C)CCCN1c1ccc(B(O)O)cn1	2052473972	XDXNNYUXDBTNIF-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(B(O)O)c1C	2060019380	PLDOQRBAEHOHTE-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
COCOc1cc(F)c(F)cc1B(O)O	2060419211	KRRQYMQLWYSUID-UHFFFAOYSA-N	217.964	-0.373	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)c1ncc(B(O)O)c(C)n1	2079405970	QRJXZSWKGJBOKO-NXEZZACHSA-N	249.123	-0.053	50	10	BBGE	
COC[C@@H](C)N(C)Cc1cscc1B(O)O	2211140175	MEONSZHDDXPALI-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
NNC(=O)C1(Cn2cccn2)CCOCC1	2212443143	PRSKAPZSYWZCJG-UHFFFAOYSA-N	224.264	-0.330	50	10	BBGE	
OB(O)c1ccc(=NCC2CC(Cl)C2)[nH]c1	2212604916	UPCBYIIDCVSLQU-UHFFFAOYSA-N	240.499	-0.387	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]3C2)cc1B(O)O	2212606095	OIFNRPNUVOKYQQ-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C(C)(C)O	2212610395	ICALOPYHFNFHLX-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
CC[C@]1(O)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773426	SNVDQDZNNLVOPD-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC(F)(F)C1	2215775990	JZRUVUOTBDUMOH-HTQZYQBOSA-N	249.261	-0.073	50	10	BBGE	
C[C@@]1(COCC2(C(=O)NN)CC2)COCCO1	2216069911	BSHUEXCSSWVVHM-JTQLQIEISA-N	244.291	-0.421	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1cc(B(O)O)ccn1	2217175541	KHFCQAUWPROUEK-VIFPVBQESA-N	232.092	-0.002	50	10	BBGE	
CO[C@@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2217179121	GRCXMQUQMZOFRV-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC[C@@H](Oc1nccc(B(O)O)c1F)[C@@H](C)N	2217187309	WFXLJFFPMZDQKM-HTRCEHHLSA-N	242.059	-0.595	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1Cc1cccc(B(O)O)c1	2220062700	NAQJMMTUEHPDNT-ZYHUDNBSSA-N	245.087	-0.265	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(B(O)O)c1	2221624531	DQGCMPJGIWVYMG-IONNQARKSA-N	249.075	-0.031	50	10	BBGE	
CCN(C[C@H]1CCCN1)c1ccc(B(O)O)cn1	2223631844	BKJXLERVSKNDOF-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1c1cc(B(O)O)ccn1	2223638098	JANCZFFYEVBEIF-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2N[C@H]3CC[C@H]2C3)c1	2223653284	INYRKHACYLJTOM-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(OCC23CCC(CC2)N3)c1	2223654500	ODZHNBGSAMZGSW-UHFFFAOYSA-N	248.091	-0.575	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(c1ncccc1B(O)O)C2	2223671737	ASPIZHRLJYHYFX-JOYOIKCWSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12C[C@H](CCO1)C2	2223673378	GAYRFTFDVHWDAB-WVSHTKLVSA-N	248.091	-0.258	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1C[C@@H]1B(O)O	2241495569	KRXPAWNGFAAYBO-FTDRKVFOSA-N	217.461	-0.265	50	10	BBGE	
C[C@@H](OCC12CC(CO1)C2)C(=O)NN	2242182488	SMOHYGXMJJFOBC-SXJRXYEXSA-N	200.238	-0.440	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@@H](Cl)CC	2242273338	QKEGNICWNQNXLO-ZETCQYMHSA-N	219.668	-0.523	50	10	BBGE	
CO[C@@H](CCl)CNS(C)(=O)=O	2242440950	TVTOBOZTEMRHEG-YFKPBYRVSA-N	201.675	-0.211	50	10	BBGE	
C=C(CN1CCC2(CC1)CN(C)C2)B(O)O	2242843166	IDMNMUHTYXULHH-UHFFFAOYSA-N	224.113	-0.418	50	10	BBGE	
C[C@H](Cl)CC(=O)n1c(O)cc(=O)n(C)c1=O	2243050402	SQPHBPLSOVJAMN-YFKPBYRVSA-N	246.650	-0.090	50	10	BBGE	
CC(F)(F)C(C)(C)CNC(=O)C#CB(O)O	2243350062	UYKOUVHNWQJKFJ-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
CC=C1CN(C(=O)c2csc(B(O)O)c2)C1	2243356262	DWQBMASOCRWRRU-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2CC1C2	2243361996	KMCHCIJYTASWCZ-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCCF)c1	2243367287	QKXNAQQORKIOAT-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NOCCF)s1	2243381654	HWGDJKZWGXUWHH-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C[C@H](O)C(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382056	LBORIAJHBOCOFM-BIIVOSGPSA-N	229.085	-0.485	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1cccnn1	2243396591	OFRWTTJMRWZGQD-BQBZGAKWSA-N	221.025	-0.698	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CC[C@@H]2C1	2243400356	ZUYQRTJFPBULDH-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ccoc1B(O)O	2243404766	UDUHZOZYDDNQNR-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cn1	2243406918	IBYHRHOSCCYOHM-UHFFFAOYSA-N	220.037	-0.981	50	10	BBGE	
O=C(C#CB(O)O)N[C@]12CCCC[C@@H]1CC2	2245186360	HFTKDNQZFULAPX-KOLCDFICSA-N	221.065	-0.159	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCOC2)ncc1Cl	2245912515	BLTFADXUJNCDQK-LURJTMIESA-N	243.455	-0.418	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@H]2F)[nH]cc1Cl	2245912604	DDFXUZJGGJBAHH-SVGQVSJJSA-N	244.462	-0.393	50	10	BBGE	
C[C@@H](CO)CCCNC(=O)C1(B(O)O)CCC1	2247732845	JYLUZPYBNUEIKG-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
C[C@H](CO)CCCNC(=O)C1(B(O)O)CCC1	2247732846	JYLUZPYBNUEIKG-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
O=C(NCc1ccoc1)c1ccc(B(O)O)o1	2247737265	FJSRGVWYNWSFAY-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247746535	AIZHLFNWSKSWIM-APPZFPTMSA-N	236.080	-0.387	50	10	BBGE	
O=C(N1N[C@H]2CC[C@H]1C21CC1)C1(B(O)O)CC1	2247751397	XEFILQKUXSQCNL-YUMQZZPRSA-N	236.080	-0.349	50	10	BBGE	
O=C(N1CC[C@@H](O)C2(CC2)C1)C1(B(O)O)CC1	2247753564	ASLANZDDDNAXEJ-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
CN(C[C@H]1CCCOC1)C(=O)C1(B(O)O)CC1	2247757079	OHYJYGVTQRODLJ-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
O=C(N[C@H]1CNC[C@@H](F)C1)C1(B(O)O)CCC1	2247758076	SOCRCIZMAFOXKA-JGVFFNPUSA-N	244.075	-0.800	50	10	BBGE	
CCCCN(O)C(=O)c1cncc(B(O)O)c1	2247772464	VLOLQGDFNPVHRW-UHFFFAOYSA-N	238.052	-0.607	50	10	BBGE	
COC1CC(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247799940	JTGBAXKTTYKOEP-BMNUFHGDSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@H](O)[C@H]2C1	2247803317	AMJMUBAPYZHTRA-SVSWQMSJSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC12CCOCC2	2247803857	DGLVZFCNACKVKB-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247806925	OZRWUGWLXMTKLL-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2247810147	VEXMPOHZHJDEPO-MRIWVSBJSA-N	235.092	-0.038	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C(C)(F)F	2247847832	CCCUHUSEVGQRLE-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)C#CB(O)O)CCO1	2247848140	HQIXHMYISWUXJF-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C(=O)C1(B(O)O)CC1	2247871672	FYCFATSQQJTTIO-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
C=CCN(C)C(=O)c1cccc(C)c1B(O)O	2247873396	BEWOHMGUHSXGOT-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247894499	HFFBRKKURHOWNF-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC(F)(CO)CC1	2247898640	GLHIOLHVUHAWCO-HTQZYQBOSA-N	245.059	-0.828	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)C1CC(B(O)O)C1	2247911519	WMMVIZINWQUKJP-NWGYLPEXSA-N	240.112	-0.421	50	10	BBGE	
CC(C)NC(=O)Nc1ncc(B(O)O)cc1F	2248219093	YVJGYUYOLUFSMO-UHFFFAOYSA-N	241.031	-0.570	50	10	BBGE	
C[C@@H](CO)C(=O)Nc1ccc(F)c(B(O)O)c1	2248439636	BHNMZBMPIHKWJP-LURJTMIESA-N	241.027	-0.928	50	10	BBGE	
Cc1cnc(O[C@@H]2C=CCOC2)c(B(O)O)c1	2249279188	GONYXNFJHZYNDB-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC=C(F)C1	2249411065	PUBDUMQLMASKQM-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2249441534	ZFPDYSHSXVAODV-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249576165	OCTUNLHMRKIBMZ-SVDPJWKOSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2249576515	OHSPKHITZTVVNV-LIJGXYGRSA-N	239.319	-0.685	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCC[C@H]1O	2249861617	LRZRGKMOYGMHGP-PSASIEDQSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1C(CCN=c2ccc(B(O)O)c[nH]2)[C@H]1C	2251077811	KCBSIOGEPLVZDJ-IUCAKERBSA-N	234.108	-0.113	50	10	BBGE	
O=C(C#CB(O)O)N1CCNCc2ccccc21	2255460557	VOYJZJKUVLZASB-UHFFFAOYSA-N	244.059	-0.862	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)ncn1	2255570730	IPQDXFJBMZJPDH-ZJUUUORDSA-N	249.079	-0.394	50	10	BBGE	
CCCC1CN(C(=O)c2ncc(B(O)O)cn2)C1	2255581903	RQWJEVUQQXTJPI-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256016570	KKJKKMSPKQKRML-XVKPBYJWSA-N	249.075	-0.400	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1cocc1B(O)O	2258131747	YMXGKSIGQBOMEI-BDAKNGLRSA-N	249.075	-0.265	50	10	BBGE	
OB(O)c1ccnc(OC2(C3CCC3)COC2)c1	2260139304	NCVDAWMCTFMDIB-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
COC1(OC)CC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369328	QSBPVDZUXAYCNT-GJMOJQLCSA-N	243.068	-0.883	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2298374773	MCCLQECUSXOKAS-BZNPZCIMSA-N	241.096	-0.221	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376055	GCRPUAZTHSUROA-BGZDPUMWSA-N	240.112	-0.661	50	10	BBGE	
C[C@H]1CNC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298376227	NPDDEKGJGMBEGC-SGIHWFKDSA-N	240.112	-0.789	50	10	BBGE	
CC(=O)N1CCC(N(C)[C@H](C)C(=O)NN)CC1	2301396069	XFXDEBQVLWXJKF-MRVPVSSYSA-N	242.323	-0.693	50	10	BBGE	
CN[C@H](COc1cc(B(O)O)ccn1)C(C)C	2302495009	NVXCHGUEKXHPAB-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
C[C@]1(C(=O)O)C[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303114926	PAFNSZBQKJLZGC-FWWHASMVSA-N	241.052	-0.828	50	10	BBGE	
CN(CCC(F)F)c1cc(B(O)O)c(F)cn1	2303847331	HQMHTGHMQIHIQU-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccc(B(O)O)cc1	2311431072	VUJIUPROLOTVPI-USWWRNFRSA-N	245.087	-0.105	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	2312848030	GOLNEIAXPZAQRD-VFZGUZRASA-N	247.103	-0.105	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(B(O)O)o1	2312848040	GYUGHAKIGVGTOW-VGMNWLOBSA-N	249.075	-0.122	50	10	BBGE	
CN(CC1(O)CC1)c1ccc(C=O)c(B(O)O)c1	2317931632	KHYRESXEFOZUII-UHFFFAOYSA-N	249.075	-0.860	50	10	BBGE	
Nc1ncnc(NNC(=O)c2ccncc2)c1N	40724004	GUFRQIQIYVWRRV-UHFFFAOYSA-N	245.246	-0.207	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1COc2ccccc21	70044535	QFCLBYJDCGUBSK-SSDOTTSWSA-N	221.216	-0.138	50	10	BBGE	
CS(=O)(=O)NCCOCCCl	83212314	HOXWGOYNLSNSLE-UHFFFAOYSA-N	201.675	-0.209	50	10	BBGE	
CN1CCC(O)(O)[C@H](Br)C1	95924364	RLJQMTRQJNAXSR-RXMQYKEDSA-N	210.071	-0.234	50	10	BBGE	
NNC(=O)C(=O)NCc1cc(F)cc(F)c1	148199482	LCPIQCCEPSLPCR-UHFFFAOYSA-N	229.186	-0.429	50	10	BBGE	
O=Cc1ccn(-c2ccc(B(O)O)cn2)c1	200997656	ADNSGHQNODYSCD-UHFFFAOYSA-N	216.005	-0.635	50	10	BBGE	
COC[C@H](C)Oc1ccc(F)cc1B(O)O	203562722	RGWHZEHTDOCDFM-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CC1(C)CN(Cc2ccc(B(O)O)cc2)CCN1	204249666	DBAMSHPHVGOPIO-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H]1CCCN1)B(O)O	213693187	OFTDJSJGSZPHQD-BDAKNGLRSA-N	228.101	-0.575	50	10	BBGE	
CS(=O)(=O)N1CCCCC[C@@H]1C(=O)NN	216920497	BXWIURHAXMHDKQ-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
C[C@H](CN)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228708231	VRMFJSNEDHQVLY-VGMNWLOBSA-N	247.364	-0.148	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCN(C)C(=O)C1	229088150	LDBHVQUBAQEDKX-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
COc1cnn(C[C@@H]2CC[C@@H](C(=O)NN)O2)c1	306074952	YQMIBCUUFNWPHY-CBAPKCEASA-N	240.263	-0.571	50	10	BBGE	
CCN1C[C@@H](NC(=O)CCl)CC1=O	306845305	IMZCGOBLWLKUOJ-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H](CN1CCN(C2CCC2)CC1)C(=O)NN	378693402	BOICTUGJIHVKGD-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CNC(=O)c1ccn(C[C@@H](O)CCl)n1	389322310	SACSSQJYNWZUOW-LURJTMIESA-N	217.656	-0.158	50	10	BBGE	
Nc1ccc(C(=O)NNC=O)cc1[N+](=O)[O-]	390234904	FNQIBPNCNFKICF-UHFFFAOYSA-N	224.176	-0.432	50	10	BBGE	
Cn1cc(Cl)c(CN2CC(=O)OC(=O)C2)n1	393627423	GRAWBSJNILPTEO-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
COCOCc1cc(C)ccc1B(O)O	393741276	WRXJFYZNBQZFGA-UHFFFAOYSA-N	210.038	-0.205	50	10	BBGE	
CC(C)(CCN1CCOCC1)C(=O)NN	395629942	LRJBADXLJFSMPA-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(O)c(B(O)O)c1	396019774	GSFXXVVYJMUGAQ-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
O=C(CCl)Cc1ccc(CO)cc1B(O)O	396053005	HVCMTNSIBKRYQU-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1COC(C)(C)C1	396567054	WCKARCKTQYBCDG-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
Cc1ccc(NC(=O)c2cc[nH]n2)cc1B(O)O	405007943	TWBMITAPABIDEW-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#CCN(CC#C)CC(=O)NNC(=O)C(C)C	491299244	YZAAECCYNYARLJ-UHFFFAOYSA-N	235.287	-0.642	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@H](C)CC(=O)NN	689809342	GCLHUGGDEHXQDN-PSASIEDQSA-N	233.312	-0.916	50	10	BBGE	
Cc1nn(CCn2cccn2)c(C)c1B(O)O	694228344	LFZDUHZYGGFNMM-UHFFFAOYSA-N	234.068	-0.924	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)[C@H](C)Cl)C(=O)NC	697903274	BFTGYHGDSUNKAV-WDSKDSINSA-N	249.698	-0.036	50	10	BBGE	
Cc1noc(CCC(=O)NNC(N)=S)n1	700841685	RHJWYSWBLUYVQR-UHFFFAOYSA-N	229.265	-0.825	50	10	BBGE	
C[C@H](CN1CC[C@H](CCN(C)C)C1)C(=O)NN	701448175	VQWYMMOVJADTSS-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)C(=O)NN)C1	701820334	HQNGZDFBWYQJHD-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
Cn1ccnc1CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703438825	IXZDFQDALOECBJ-IUCAKERBSA-N	249.270	-0.121	50	10	BBGE	
CNNC(=O)c1cnc2n(c1=O)CCS2	704637716	GKTWPPRVHLKQKQ-UHFFFAOYSA-N	226.261	-0.787	50	10	BBGE	
CN(N)C(=O)Cn1nnc(-c2ccsc2)n1	704705157	FSXVMIJVEJCWCK-UHFFFAOYSA-N	238.276	-0.266	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](CO)[C@@H](CO)C1	705329293	KKMTYOFYTPCBLM-PRJMDXOYSA-N	221.684	-0.327	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccsn1	705768673	DBINTEDRNDWGBO-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@@H](N)C[C@H]2C3)CC1	713227326	YOLSFTCBQNIKSN-OUJBWJOFSA-N	249.314	-0.009	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NN1CCOCC1	714427394	FENBQMFXDFCAOB-HJWRWDBZSA-N	225.248	-0.206	50	10	BBGE	
CCN(C1CCOCC1)[C@H](COC)C(=O)NN	716488851	XOACEAYQAXNJJF-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ncccn1	718910875	RTGUQTFRBXMELA-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
C#C[C@@H]1COCCN1S(=O)(=O)CCl	841550012	KREIUHSTTXWWJF-SSDOTTSWSA-N	223.681	-0.154	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](O)C(C)C)n1C	856047853	GTOPYAQZVPXISM-ZETCQYMHSA-N	227.268	-0.416	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnsn1)N(C)C	899371997	UEYPOYJKCNOQEF-RXMQYKEDSA-N	243.292	-0.751	50	10	BBGE	
CC(C)OCC(=O)NNC(=O)c1ncon1	1134613747	AIUYCXUTVMSAJU-UHFFFAOYSA-N	228.208	-0.744	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNC(=O)c1ccc[nH]1	1135658555	IXVFUSBSFJVODR-ZCFIWIBFSA-N	238.247	-0.713	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C\c1ccncn1	1464543392	GECAECGWUDMBJW-ARJAWSKDSA-N	235.247	-0.208	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cc1cncn1C	1464571768	CMVNBOMCSLKTGY-UHFFFAOYSA-N	239.279	-0.299	50	10	BBGE	
CN(NC(=O)c1ccnc2ccnn12)C(N)=O	1623316768	WPUICFAESUENPA-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
C#CCCCNC(=O)NNC(=O)c1ncon1	1635013639	OKKKQTXOGWOABF-UHFFFAOYSA-N	237.219	-0.573	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NN(C)[C@H](C)CO	1639064361	LHZNFQCWBGQYFO-SFYZADRCSA-N	246.311	-0.977	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883552819	OKUAWHASHHKOCX-VWDOSNQTSA-N	206.673	-0.562	50	10	BBGE	
NC1CN(C(=O)NC[C@@H]2C[C@@H]2Cl)C1	1883564622	VKTMHOIJMVQGKD-FSPLSTOPSA-N	203.673	-0.034	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NC1CC(Cl)C1	1884411188	ADAJXJOLPBRERZ-JMMWHDCWSA-N	220.656	-0.326	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@H]1[C@H](O)CO	1885362669	CHCIPVPBUXCINV-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(O)C1	1889208904	GUZIQDBERFQCPI-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCCC1=O	1893838341	WPUUBGYNOGQCAF-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1C[C@H]1Oc1ccc(C=O)c(B(O)O)c1	1901243198	UDDYRIXJCUQCKP-RDDDGLTNSA-N	220.033	-0.034	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@@H](O)C1	1901761609	FFSLFONMOZNRDI-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C=C(C)CC(=O)Nc1cc(B(O)O)ccn1	1902356492	NLOMDYXOWCIWFP-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
O=C1CCC[C@@H](CN2CC[C@@H](B(O)O)C2)N1	1902511236	FSEIZFFIDMCUQC-BDAKNGLRSA-N	226.085	-0.796	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC=CC[C@@H]1CO	1909017091	AERMGLZYZROMBJ-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
C[C@H](Cn1nnc2ccccc2c1=O)C(=O)NN	1912236459	YMHWEVBWDMTALF-SSDOTTSWSA-N	247.258	-0.583	50	10	BBGE	
CCCN(C[C@H](C)C(=O)NN)C1COC1	1915660652	QAVLZMLHYROTMB-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CON=CC(=O)NNC(=O)C(F)(F)F	1923414192	WSAIKRXUCBMEHK-UHFFFAOYSA-N	213.115	-0.672	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](OCC(N)=O)C1	1928133303	SPNFXKDMIVAPNM-JGVFFNPUSA-N	231.683	-0.306	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@H]1COC[C@H]1Cl	1928973157	UFLPPNJIJFZBKD-RYPBNFRJSA-N	221.684	-0.004	50	10	BBGE	
O=C(NNCCO)C1C[C@H]2[C@H](C1)C2(F)F	1929835618	VIWHLLKZUFWAQS-BQBZGAKWSA-N	220.219	-0.109	50	10	BBGE	
CCC[C@@]1(O)CCN(CC(=O)NN)C1	1930886442	UMNUGUYQUOECGR-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](F)C[C@H]1C(=O)O	1931745514	UCCYSQZJBBRXPE-RITPCOANSA-N	219.216	-0.330	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)C(=O)NN)[C@@H]1C	1934287878	XGPLQRLUIWXWTA-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1SCCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936093680	GQPCJGDOXRPFAL-XLPZGREQSA-N	243.332	-0.424	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094811	QENHFMJXCDLSGK-DTWKUNHWSA-N	227.308	-0.685	50	10	BBGE	
CN(CC1(C)COC1)CC1(C(=O)NN)CC1	1938231306	VDQSOGIACCCXEW-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCC[C@@H]1O	1938248573	IEMZFTQSNODZOJ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)CCCOC[C@@H]1COCCCO1	1939100334	GWYRQDKSPXABPB-SECBINFHSA-N	232.280	-0.421	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)c(C)n1	1941088253	PEPBNGAICLXOCE-BDAKNGLRSA-N	236.275	-0.514	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](C)CN(C)C	1941094094	KODVJGQRAMRSRR-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
Cc1cc(C)c(=O)n(CCOCC(=O)NN)c1	1941781293	ZLQTXXUBXUNAHD-UHFFFAOYSA-N	239.275	-0.528	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1942494564	LWIBNTCEBFFMAB-PTRXPTGYSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccn(C[C@]23CCC[C@@H]2CCO3)n1	1947437206	OYJSMAMFWAQZRY-MWLCHTKSSA-N	236.080	-0.478	50	10	BBGE	
[C-]#[N+][C@@H](C)[C@H](CS(C)(=O)=O)NC(C)=O	1951437971	IMUWQZOULRVEKE-XPUUQOCRSA-N	218.278	-0.157	50	10	BBGE	
O=C(CCl)NCC[C@H]1COC[C@@H]1O	1953871857	REYJDQNFBORNDE-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
CN(C(=O)CBr)[C@@H]1CC(=O)NC1=O	1954036418	CONBTWIQIGTFIC-SCSAIBSYSA-N	249.064	-0.745	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550535	XCWDVOHOUIVHMQ-JAJWTYFOSA-N	219.668	-0.434	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@](O)(CO)C1	1955551262	NNGYRSXXNJGJBF-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
O=C(CCl)NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1957244230	NYXXULDMDDXMQU-KVSKUHBBSA-N	237.708	-0.368	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)CCC(=O)NN)C1	1957583897	LVRGBALCEHLKAN-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
Cc1nn(CC2(C)CC2)c(C)c1B(O)O	1960726952	OPOJJWWBRJPNBS-UHFFFAOYSA-N	208.070	-0.020	50	10	BBGE	
NNC(=O)c1cn(CCSC2CC2)nn1	1975041771	SFUNDPCIXAMKAH-UHFFFAOYSA-N	227.293	-0.223	50	10	BBGE	
OB(O)c1cncc(O[C@H]2C[C@@H]3C[C@@H]3C2)c1	1978372738	TXFGIFQQFZUWCQ-DIYOJNKTSA-N	219.049	-0.061	50	10	BBGE	
C[C@H]1COC[C@@H](C(=O)O)N1C(=O)NN(C)C	1980196512	ZYYOYSLPYIVGFS-BQBZGAKWSA-N	231.252	-0.654	50	10	BBGE	
CCOCCOc1ncc(B(O)O)cc1F	1981420126	GLEKVCLPGDLYTG-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@H]1C[C@@H]1C	1981531333	WKPGVQYLXMLOAG-XVKPBYJWSA-N	220.081	-0.086	50	10	BBGE	
CC(C)(F)[C@@H]1CCCN(C(=O)C(=O)NN)C1	1984254713	YNRGJZWVNNLZEI-SSDOTTSWSA-N	231.271	-0.037	50	10	BBGE	
C[C@H](O)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	1985356417	DYYWNHHZAPSBDL-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CN1[C@H](CO)CCC1(C)C)C(=O)NN	1994867706	JAIWAVSGSZDUTI-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1ncc(B(O)O)cn1	1996646768	WSCMMFMLEBUCDD-SSDOTTSWSA-N	237.068	-0.613	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1	1998137166	IVAVNJKLLVUQNN-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](C(N)=O)CC12CC2	2002289946	IPCVVTFWSGPSCJ-HTQZYQBOSA-N	240.307	-0.905	50	10	BBGE	
CC[C@@H]1CCCCN1c1ncc(B(O)O)cn1	2004911806	LKERNUMEWMQXQN-SNVBAGLBSA-N	235.096	-0.075	50	10	BBGE	
Cc1nc(N2C[C@H]3CCC[C@@H]32)ncc1B(O)O	2004973121	QALIJUKIKFBPKP-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
Cc1nc(N2CC(CCF)C2)ccc1B(O)O	2005017423	DXIYSTLRBXPOKS-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2005804593	CBRYRBRQELLWOC-DBRKOABJSA-N	245.229	-0.522	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(C[C@@H](C)C(=O)NN)C1=O	2007785303	MUMHRYKKYDEQEX-GJMOJQLCSA-N	241.291	-0.357	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2[C@H](CO)[C@@H]2C1	2010995950	UZXYCNMGQBGEJJ-RNLVFQAGSA-N	249.261	-0.828	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@]1(C)CCCO1	2017098270	QYPJGJZPUBHQLJ-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccccc1B(O)O	2022200562	VNKSWLCTCIWNKA-QPUJVOFHSA-N	233.076	-0.105	50	10	BBGE	
CCOc1c(F)cc([N+](=O)[O-])cc1B(O)O	2060125893	RSWWCXKWHXTIRD-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1cc(B(O)O)c(C=O)cc1OC(F)F	2060325746	STNNLICAMRFNQW-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@@H]2CCN2C)n1	2066394435	HEKHCCQFOIJXGO-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1c(B(O)O)cc(C=O)c(F)c1F	2069346113	QCOCUHNGWFVDIX-UHFFFAOYSA-N	215.948	-0.534	50	10	BBGE	
Cc1nc(NC(=O)[C@]23CC[C@@H]2C3)ncc1B(O)O	2069481192	QZEKXMGDRVZDEC-HQJQHLMTSA-N	247.063	-0.797	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2ncnn2c1	2076077676	ASLOMIMLSUAJER-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
OB(O)c1cc(OCc2ccnnc2)ccc1F	2086133875	WEHBEUBWARHFOD-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C=CC1(O)CN(CC2(C(=O)NN)CCC2)C1	2212247500	CTEMGHOKBLOFQN-UHFFFAOYSA-N	225.292	-0.621	50	10	BBGE	
C=CC1CC(Nc2ncc(B(O)O)cn2)C1	2212603002	LSYPTJJOXZTNBX-UHFFFAOYSA-N	219.053	-0.467	50	10	BBGE	
Cc1cnc(O[C@H]2CC2(F)F)cc1B(O)O	2212604351	OLMDHOAEACAMKF-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@H](C)O)cc1B(O)O	2212604749	SCUXGFWQKOCOCM-YUMQZZPRSA-N	224.069	-0.749	50	10	BBGE	
CC(C)OCCOc1cc(B(O)O)ccn1	2212608012	GBWRQXRVBZPSJU-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
Cc1nn(C[C@H](C)CN(C)C)c(C)c1B(O)O	2212977173	YVVYKXKHUWLSRM-MRVPVSSYSA-N	239.128	-0.623	50	10	BBGE	
N#CCN(CC#N)Cc1cccc(B(O)O)c1	2214592445	GCBRJWORMZSEPK-UHFFFAOYSA-N	229.048	-0.784	50	10	BBGE	
CC1(C)CC(=O)N1Cc1cccc(B(O)O)c1	2214599962	RCJMGBCRUKEQCH-UHFFFAOYSA-N	233.076	-0.123	50	10	BBGE	
Cc1cnc(O[C@H]2CCCNC2)cc1B(O)O	2217167600	PLATYOPGHUAMRK-VIFPVBQESA-N	236.080	-0.799	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC=CCO1	2217176615	YSIIQXWOBUXVFK-SECBINFHSA-N	234.064	-0.482	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2O3)nc1	2217197957	UCMPKLJVIBYPQW-OPRDCNLKSA-N	234.064	-0.507	50	10	BBGE	
CNCCN(c1ccc(B(O)O)cn1)C(C)C	2217198403	AMRUDCMVMAAJJS-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3COC[C@@H]32)c1	2223628152	PHCRXMVFSGWEDS-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
Cc1cnc(N2C[C@H]3CO[C@@H](C3)C2)cc1B(O)O	2223651196	AUMPMERCQKQHOE-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@@H](O)[C@H]2CC3)nc1	2223653131	OPOQMQAFLUKJDF-GMTAPVOTSA-N	248.091	-0.747	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H]1[C@H](O)CO	2241811896	VHUBOVLEYQOPGL-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
CN=C(NN)N[C@H]1C[C@H](Br)C1	2242386096	FWIGEHBOSPZBEB-URHBZAFASA-N	221.102	-0.049	50	10	BBGE	
CCC(CC)NC(=O)c1ccoc1B(O)O	2243349949	SUCXZKYSOSMSQC-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
C[C@H](NC(=O)c1csc(B(O)O)c1)C1CC1	2243357669	ZVUQXQQSEPJOCQ-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
CON(C)C(=O)c1cccc(B(O)O)c1C	2243375335	RQXIXOYIDGXKGJ-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
C#CCNC(=O)c1sc(C)c(C)c1B(O)O	2243377117	VEOUQDPGGKUSMW-UHFFFAOYSA-N	237.089	-0.592	50	10	BBGE	
Cc1cc(C(=O)N2CCOC2)c(B(O)O)s1	2243378102	MMKSTJQSVLFOFS-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397313	YTWRZPQSSYLEGD-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CCC=CCNC(=O)c1ccc(B(O)O)o1	2243398828	HNJWYNLLWHJZDH-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
O=C(NCCN1CCC1)C1(B(O)O)CCC1	2243410790	HUOLJMTZXJGELU-UHFFFAOYSA-N	226.085	-0.795	50	10	BBGE	
Cc1cc(C(=O)N=S(C)(C)=O)oc1B(O)O	2243413269	CMEMRMKIJZXBQM-UHFFFAOYSA-N	245.065	-0.864	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CC(F)C1	2243414038	SASHNVVAFRGLDW-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2244343087	CNRYKPVQIYSOOF-DKIAZLNASA-N	227.308	-0.542	50	10	BBGE	
C#CC1(NC(=O)c2cscc2B(O)O)CC1	2244544721	VKNZQKPEKVJFMR-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccncc1B(O)O	2247722190	LBWNWTSDIALWHH-SECBINFHSA-N	234.064	-0.710	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cc1C	2247738283	PQDODLGVBXIIDF-UHFFFAOYSA-N	231.060	-0.065	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2247752732	UZSPNJCRTNBHDI-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)CN	2247753135	BXKLUUXWQPATOS-PSASIEDQSA-N	240.112	-0.563	50	10	BBGE	
CC[C@H](NC(=O)c1occc1B(O)O)C(F)F	2247753896	KGPXUUWIKCTSBK-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C	2247760074	BEBZAIVJEMADQW-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
Cc1cnc(NC(=O)C2CC(B(O)O)C2)cn1	2247797958	OWPTVLKKUXTUNY-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247798345	SODNFFKJXPNXKR-HLTSFMKQSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H](O)[C@H](F)C1	2247852103	OUJDQQWAMKUCBA-FNCVBFRFSA-N	245.059	-0.829	50	10	BBGE	
CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247858866	IRKHOXLPNLRCDC-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CCCN(O)C(=O)c1cc(F)ccc1B(O)O	2247870348	IMQCRIHXCTVBOW-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247871681	FZJBHASWWABSMC-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
C#CC[C@@H]1COCCN1C(=O)C1(B(O)O)CC1	2247871976	KJZLYQOUWUMJRF-SECBINFHSA-N	237.064	-0.756	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)[C@H]1C[C@H](B(O)O)C1	2247896089	DVWSWMUXTKSDDQ-GUBZILKMSA-N	239.080	-0.299	50	10	BBGE	
CCCN(CC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248573241	BFQHZLLTWGRTMQ-OCAPTIKFSA-N	243.068	-0.437	50	10	BBGE	
O=C(O)CN(CC1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2248573830	KBJWPKMIPLVUSD-JGVFFNPUSA-N	241.052	-0.828	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)co1	2249408974	SCUKSEVBSKYAPI-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H](CF)C1	2249416823	XRKDUOVPVBYGDE-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@H](C)O)C(C)(C)C	2250617464	MTGXQMXAXKRPJR-QMMMGPOBSA-N	245.323	-0.365	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(=O)NC2(CCCC2)C1	2251500774	ZMDFMJLRMBVOCC-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
N#Cc1nccn1-c1cc(B(O)O)c(Cl)cn1	2252657522	DCARBPVGBSERSM-UHFFFAOYSA-N	248.438	-0.528	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CCC[C@H]2C1	2255464223	TUNJVWXQEBTGQC-IUCAKERBSA-N	248.091	-0.433	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1ccnnc1	2255466588	ARXPQAFNGOHXPD-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1nc(C)ccc1B(O)O	2255486962	IICCKNOROXUDSU-PSASIEDQSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2255683253	TZIIASWNQGTDOE-YEPSODPASA-N	249.079	-0.314	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC=CCC1	2255691746	PQFZPSGVMFGXRD-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
CC=CCNC(=O)c1cc(OC)ccc1B(O)O	2255693915	KNNTUYIKRCQZLQ-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1cncc(B(O)O)c1	2255716664	SRNNAOHKLUOPDB-BKDNQFJXSA-N	246.075	-0.710	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1cncc(B(O)O)c1	2255717225	IYZSFEDYJIQGPJ-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
CCCC1CN(C(=O)c2ccncc2B(O)O)C1	2255723979	BISKAJVZDPJYAZ-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC2CC1C2	2255727826	WDRXEJSTSMRMCT-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
C=CCCCCNC(=O)c1ncncc1B(O)O	2255730328	KOQXGIGEGCFLMZ-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(C)ccc1B(O)O	2255736520	OVNLZJXKZPYQBH-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1occc1B(O)O	2255743283	FTJZUHUJMCEEGK-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
O=C(NCc1ccnn1C1CC1)[C@@H]1C[C@@H]1B(O)O	2255765215	MUJKDBNJRXLBPK-ZJUUUORDSA-N	249.079	-0.303	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255936238	XMQWTUYFMFWONB-MRVPVSSYSA-N	247.059	-0.622	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N[C@@H]1C=CCC1	2258671842	WESQHJDCUDDKIN-MRVPVSSYSA-N	247.063	-0.399	50	10	BBGE	
Cc1cccnc1CC(=O)NCCC#CB(O)O	2258957464	PCNJMGMIUJQNBX-UHFFFAOYSA-N	246.075	-0.546	50	10	BBGE	
O=c1cccnn1Cc1c(F)cccc1B(O)O	2260997587	OMVUCYOCFCJYCP-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2298368854	AMJMUBAPYZHTRA-OEZYJKACSA-N	239.080	-0.921	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371622	QDHUVXIOEKVXEF-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC2(CCO2)C1	2300394461	VCJRVUBWLSDBFV-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(B(O)O)cc1C	2301585915	OCDOKKDTRRGJRK-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(B(O)O)cc1F	2301604653	FIDJLSSMKYOGRZ-VIFPVBQESA-N	241.027	-0.785	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	2302053165	PWEHGDGJTMCUCC-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
COC[C@H](O)CN(C)[C@@H](C)CCCC(=O)NN	2302061926	XBSNMDRSFYDRRW-VHSXEESVSA-N	247.339	-0.526	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1CC(O)C1	2317349646	GSGYDIOBFVSEJF-UHFFFAOYSA-N	249.075	-0.862	50	10	BBGE	
O=C(O)/C=C/C(=O)NNC(=O)c1ccncc1	2697435	KMNWTBOKOQOBRG-OWOJBTEDSA-N	235.199	-0.517	50	10	BBGE	
COC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	36906039	AVLCZRXYWRAYCG-SCSAIBSYSA-N	222.628	-0.388	50	10	BBGE	
C[C@@H](CCC(=O)NN)Sc1nnnn1C	82471827	ZTLDFWGZASDQBA-YFKPBYRVSA-N	230.297	-0.539	50	10	BBGE	
NC(=S)NNC(=O)CC[C@@H]1CCCO1	83590836	XOSQBASCEOJQMX-LURJTMIESA-N	217.294	-0.190	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	84420992	QWEDXBUCUMRMRF-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCO)C1CC1	86313653	CNZPFGSELWDALE-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
Cc1ccc(=O)n(Cc2cc(C(=O)NN)no2)n1	110603611	DSOZZHNHCPUWHU-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@H]3C2=O)o1	113667842	ARJRGRPEXZXOPH-RNFRBKRXSA-N	249.226	-0.612	50	10	BBGE	
CSC[C@@H](C)N(C)C(=O)C(=O)NN	160144833	RIZTVEIKIOUXSZ-RXMQYKEDSA-N	205.283	-0.814	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CO)C1	226494576	RVSLUXSZRIDQFC-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
CC(C)(CN(CCO)C1CCC1)C(=O)NN	228568965	SNVQLMCPPVBWPR-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
C[S@](=O)CCCNS(=O)(=O)CCCl	232301412	TZDRVPIMISYINA-LBPRGKRZSA-N	247.769	-0.087	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccoc1	232419909	QWRHVLMTNOAYNV-VIFPVBQESA-N	227.264	-0.284	50	10	BBGE	
C[C@H]1CNC[C@@H](C)O[Si]2(OCCO2)O1	238441430	RIVQJDVTUSTJHC-OCAPTIKFSA-N	219.313	-0.118	50	10	BBGE	
O=Cc1cncc(B(O)O)c1C(F)(F)F	238636431	AISOCVKHTCTUBK-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1CCCO	251704913	XSPQEQXEFCOIGO-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CCN1C	251847763	RCGNSYMXPSTYGE-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1CCO	304587405	RNAZZMGMJPAZRY-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
O=C1NOC[C@@H]1N1CC[C@H](Br)C1=O	306836457	UMXHDSDJTCRVGJ-WHFBIAKZSA-N	249.064	-0.588	50	10	BBGE	
Nc1cc(O)cc2sc(B(O)O)cc12	306895619	NIFQSVFIHUJLIN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1sc2cccc(N)c2c1B(O)O	307423654	NTGBGRWUZDPIJQ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
N#C/C(N)=C(\C#N)NC(=O)C(F)(F)F	307496988	KJFGNZYFEZQSEK-ARJAWSKDSA-N	204.111	-0.118	50	10	BBGE	
O[C@@H]1[C@H](Br)[C@@H]2O[C@@H]2[C@@H]2O[C@H]12	307709325	LVCQLWWLDHWMCB-OIPILBGFSA-N	207.023	-0.341	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cn(C)nn1	309155825	ZHTJCHCAOMJLKQ-YFKPBYRVSA-N	246.654	-0.675	50	10	BBGE	
Nc1ncccc1C(=O)NNC(=O)C1CC1	309423345	BIAVHMSPTPLVDM-UHFFFAOYSA-N	220.232	-0.165	50	10	BBGE	
CNC(=S)NNC(=O)CCC(C)=O	379402833	NXGWRDHYXYSPSN-UHFFFAOYSA-N	203.267	-0.519	50	10	BBGE	
COC1(C)CN(CC(C)(C)C(=O)NN)C1	382593799	ISOJJWVWSJICER-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
O=CCCc1ccc(B(O)O)c(/C=C\C(=O)O)c1	396136456	YMNRMAYRYQTNKG-XQRVVYSFSA-N	248.043	-0.404	50	10	BBGE	
N#Cc1cc(CO)c(B(O)O)c2sccc12	396214301	DQPMVMBSHCFKEE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1ccc2scc(O)c2c1B(O)O	396383311	NPIGLVBGPPAUCE-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1C	404956206	XYTHOTVTDCBVLQ-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
O=C(CCCl)N1CCN2C[C@H](O)C[C@H]2C1	405722835	UURUSDHVNYKBGB-DTWKUNHWSA-N	232.711	-0.107	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN(C(=O)CCCl)C1	642885442	KFTLXEIGYLVRII-HTQZYQBOSA-N	220.700	-0.217	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1C(=O)OC[C@@H]1O	675079973	KGDMOYQOMNYRGF-VAYJURFESA-N	207.613	-0.984	50	10	BBGE	
O=C(NCB(O)O)[C@@]12CCC[C@@H]1OCC2	687414034	QSEUSAORISOXMD-IONNQARKSA-N	213.042	-0.926	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(CF)CC1	689109691	XBBSPHORMRAJPM-SECBINFHSA-N	233.287	-0.327	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1cn(C)nn1	690442995	WPKBWYYBEHQONQ-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
C[C@H](CN1CCC[C@H]2COC[C@@H]21)C(=O)NN	690722437	XPKNUENQLOFHEN-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCC[C@@H]2N)CC1	692125997	YTXCWCRZDIZNAM-UWVGGRQHSA-N	237.303	-0.009	50	10	BBGE	
COCCOCOc1cc(C)ccc1B(O)O	699671433	ULRDAUUKMHUDFL-UHFFFAOYSA-N	240.064	-0.326	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1n1ccc(B(O)O)n1	703688881	YTXQFERJQYPNHX-IUCAKERBSA-N	224.069	-0.307	50	10	BBGE	
CN(C)C(=O)N1CCC[C@H](C(=O)N(C)N)C1	704705142	FITSTCCWYKAAHA-QMMMGPOBSA-N	228.296	-0.288	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCNC(=O)C[C@@H]1C	707347191	PQSQYBMWPOJPEN-WCBMZHEXSA-N	242.323	-0.789	50	10	BBGE	
COC[C@@H](CCCl)NCCn1cnnn1	712590068	BLAGESASDRKDOY-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCOC1	723860964	CAABAVXIQFDBML-DTWKUNHWSA-N	241.291	-0.702	50	10	BBGE	
C[C@H]1CSCCCN1CC(=O)NN	725619312	SYRUJNBJZIBHIQ-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1=CS[N]C1	725711763	USQUYULLDYKSJX-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)c1cnn[nH]1	751376261	XTLRZZDWUBGPLL-NKWVEPMBSA-N	235.247	-0.388	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCN(C)C2)n1C	856047859	HBMMXSBFIVIHSM-QMMMGPOBSA-N	238.295	-0.482	50	10	BBGE	
CC(C)NC(=S)NNC(=O)C1CC(=O)C1	1135527647	FPYUTUOZINZHGI-UHFFFAOYSA-N	229.305	-0.131	50	10	BBGE	
O=S(=O)(CCl)NC1[C@H]2COC[C@H]12	1260937009	ZHBCBSWJPNEUHB-WHFBIAKZSA-N	211.670	-0.253	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)c1cnsn1	1303456822	YGYVVPWFKQKOJL-RXMQYKEDSA-N	239.260	-0.151	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC(CO)(CO)C1	1303467466	ZCBSSCZJKYKHLO-WTKPLQERSA-N	240.259	-0.756	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@H]1CCN(C)C1	1332149601	UGKDFVDNTJTTMY-VHSXEESVSA-N	229.324	-0.328	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COCCO1	1354837181	SJSYJKAOLVFNRL-IWSPIJDZSA-N	242.275	-0.405	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)c1ccnnc1	1451679237	ABUFZAMOVPEQGL-UHFFFAOYSA-N	238.247	-0.601	50	10	BBGE	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccncn1	1635934570	ZHNKQXRPYQWBLJ-FSPLSTOPSA-N	237.219	-0.583	50	10	BBGE	
Cc1ccccc1S(=O)(=O)NNC=O	1858080644	KYHPBSJZEHVQPD-UHFFFAOYSA-N	214.246	-0.066	50	10	BBGE	
NC[C@H](O)CC(=O)NC1CC(Cl)C1	1881719750	VSUWWJILTYLLBU-KPGICGJXSA-N	206.673	-0.418	50	10	BBGE	
C[C@H](CN1CC[C@H]1[C@@H](C)O)C(=O)NN	1885791156	RGLGYRWQNXJOAB-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475371	SPYPTWIYZWTHMQ-KCDKBNATSA-N	221.640	-0.436	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)COc1ccc(CO)cc1	1894490761	CJANVYNVAALNSO-WDEREUQCSA-N	222.244	-0.231	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@@H]1CN)S(C)(=O)=O	1901372852	CNLLPJIFAFGUSU-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC=C[C@@H](O)C1	1901768147	ZHAYWKMHJHGYDT-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
OB(O)[C@@H]1CCN(CC23COCC(C2)C3)C1	1902545114	FTGLDNFMFAISOV-HSOILSAZSA-N	225.097	-0.038	50	10	BBGE	
C=C(COC[C@H]1C[C@@H](S(C)(=O)=O)C1)B(O)O	1905176804	RDUXKUUFDFSNDP-DTORHVGOSA-N	248.109	-0.606	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]1c1ncon1	1905879689	JWYQMJOTQSPQGD-RNJXMRFFSA-N	237.263	-0.558	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(N=[N+]=[N-])C1	1912183196	MLVAQVIYNORBRE-UHFFFAOYSA-N	212.213	-0.852	50	10	BBGE	
Cc1nc(C#N)n(C[C@H](C)C(=O)NN)c1C	1912256742	SHZLYYGRLGMYFE-LURJTMIESA-N	221.264	-0.002	50	10	BBGE	
O=C(CC1COC1)NNC(=O)C(F)(F)F	1923406492	JHRMDDCGRLCLPY-UHFFFAOYSA-N	226.154	-0.267	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)CC2(CC2)C1	1926433354	KFTGPHOQAWOLLV-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
COCCCN(C)C[C@H]1C[C@H]1C(=O)NN	1927913123	FRYUFABJMQESLJ-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@@H]2C1=O	1927915449	HBWRXOCMZHMNCL-OSMVPFSASA-N	209.249	-0.909	50	10	BBGE	
OC[C@@H]1C[C@@H](CO)CN1CCOCCCl	1928368456	ULHSCLSFIVLOGF-ZJUUUORDSA-N	237.727	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(F)(F)CO	1931080945	SCWIEUKRQZXPFX-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
CC[C@@H](CO)N(C)CC1(C(=O)NN)CC1	1931266756	JUSKXWOICZGDBO-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1CCOCC1	1936093207	BRZKGHYNZIZWFH-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
COCCCCN(C)C[C@H]1C[C@H]1C(=O)NN	1936093441	DVRXQLUBGYBLOL-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CON(C)C1CN(CC(C)(C)C(=O)NN)C1	1936105774	AURHESWFAKAAPN-UHFFFAOYSA-N	230.312	-0.820	50	10	BBGE	
Cc1cccc(=O)n1CCOCC(=O)NN	1936532146	VLITYNHKLCGUPU-UHFFFAOYSA-N	225.248	-0.837	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)[C@H]2COCCO2)C1	1937191385	TXJFKJFSDXKDNI-XHNCKOQMSA-N	248.710	-0.561	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=O)[C@H]1CCCOC1	1937709138	PYEUFPAHRQTMDI-BQBZGAKWSA-N	231.252	-0.873	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C(=O)[C@@H]1C	1938233251	PAWAOXAYYNIADI-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
CO[C@@]1(C)CCN(CC2(C(=O)NN)CC2)C1	1938246110	DTPWZDGHYYRNNT-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N(C)CC)C1	1939076502	QOXUEOYJFKJLKR-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)CC12CCC2	1949817176	KGIAZSRNFPYIMN-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
C[C@H]1CN(CCn2ccc(B(O)O)n2)C[C@@H]1C	1950188868	HTEYDFYXLYOJRD-UWVGGRQHSA-N	237.112	-0.849	50	10	BBGE	
CP(C)(=O)[C@H]1CC[C@@](N)(B(O)O)C1	1954505361	FCDLXXSLNQOCLR-BQBZGAKWSA-N	205.003	-0.129	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNC(N)=O)C1	1957319400	VBOYLGVECCSTKL-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
COC[C@@H](S[C@H](CN)C(C)C)C(=O)NN	1958095444	WSPIJORDXWSGOA-HTQZYQBOSA-N	235.353	-0.292	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C)(C#N)C1	1961495276	NYOQIEKZVLVTOC-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]2C[C@H]21	1961509030	OHNZDYGPCHKKEX-IWSPIJDZSA-N	213.281	-0.526	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@H]2C=C[C@H]1C2	1976840396	FHNOXMMFQJBGCD-IUCAKERBSA-N	223.276	-0.067	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cnco1	1977388624	YQXMAAHDESNJAM-MRVPVSSYSA-N	228.252	-0.889	50	10	BBGE	
CON(CC(F)(F)C(=O)NN)[C@H]1CCOC1	1978749477	GIJQVBTYADWZEZ-LURJTMIESA-N	239.222	-0.736	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)CCN1C	1980816992	HTFFFTBFUCBOCN-BBBLOLIVSA-N	228.340	-0.221	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@H](CF)C1	1981250199	ULYAGBHQNGXYBG-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@H]32)nc1	1981409743	QYCZWVZCXODGGC-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1981997613	VNQUGOAXZNUOQL-AATLWQCWSA-N	225.292	-0.667	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)C2(CCCC2)C1	1982145563	NDTSQZQKRHXJRO-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1982260043	GQPKRABFIOINND-QEYWKRMJSA-N	227.308	-0.421	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982263903	DZBCSYMAGPWJLK-QEYWKRMJSA-N	227.308	-0.421	50	10	BBGE	
O=C(NNCCO)c1ccc2nsnc2c1	1983558630	PDKMIWJTDPGLNK-UHFFFAOYSA-N	238.272	-0.082	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(CCO)C1	1984128987	XLUPZWVTFOUEHN-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@@H]2C1)C(=O)C(=O)NN	1988192589	XPLKOVVZGZSUEO-PSVAKVPMSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)N1CC[C@]2(O)CCCC[C@@]2(O)C1	1989820950	HXQXEDLJULFOAU-NXEZZACHSA-N	229.280	-0.688	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@@H]1CF	1990744904	CJVIHHKIZSGAPP-RKDXNWHRSA-N	231.271	-0.309	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CCOC[C@@H]2F)CC1	1991730618	JUZLGHNEWQAKBU-YUMQZZPRSA-N	232.255	-0.100	50	10	BBGE	
O=C(COC1CCCC1)NCC#CB(O)O	1992153517	PIAJTONJMSVQJY-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2COC[C@H]21	1992339359	TUAOFWBMHJBGTG-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@H]1C1CCOCC1	1992970264	CZYHOYBIMAUFMI-SFYZADRCSA-N	243.332	-0.087	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994021118	WHRPYOJSGUQIPB-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(F)C[C@H]1C	1995036359	MCAVGFPBWHZYTL-NQMVMOMDSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1CCC1	1998130809	OKHQIDGMGWDLMP-XPUUQOCRSA-N	243.068	-0.535	50	10	BBGE	
CCO[C@@H]1C[C@H](OC)CN([C@@H](C)C(=O)NN)C1	2001046906	SFDJGBJTNTVLAB-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CCCCCN1CC([C@H](F)CO)C1	2001920723	LKWFMJKUVCAGMG-SNVBAGLBSA-N	247.314	-0.201	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCN1CCOC1=O	2004403184	WKEUEYOTGOFVFA-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@H]2CCC[C@H]21	2004916039	HARPHPOLDCLARD-MYJAWHEDSA-N	233.080	-0.609	50	10	BBGE	
OB(O)c1cncnc1-n1cc(C2CC2)cn1	2004991094	NJNPPRBNHOVEQK-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
CC12CC(C1)N(c1ncc(B(O)O)cc1F)C2	2005018312	RLMQEMXVHSRCDN-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)[C@H]1C[C@@H]1F	2006986158	CKTJISUFBDAVDT-XPUUQOCRSA-N	241.002	-0.198	50	10	BBGE	
CCC(CC)OCn1cccc(B(O)O)c1=O	2008844130	KFBKBBZMIYPBLQ-UHFFFAOYSA-N	239.080	-0.309	50	10	BBGE	
C[C@@H](CN1CCN(C[C@@H](C)F)CC1)C(=O)NN	2015813044	BWMQEOZDKRMQGU-VHSXEESVSA-N	246.330	-0.412	50	10	BBGE	
CCCN(C)C1CN(CC2(C(=O)NN)CC2)C1	2017465220	FDCVTGATQQDUEZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccncc1	2019207424	BLSAUCDWUXGEQR-UHFFFAOYSA-N	236.275	-0.319	50	10	BBGE	
O=C(COc1ccccc1)NCC#CB(O)O	2021163999	ATDUDOUOERFPAO-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
Cc1cccc(C(=O)NCC#CB(O)O)c1F	2021164639	KIRGRKGOWXTFSH-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
CC1(CNC(=O)c2ccccc2B(O)O)CC1	2022195819	BJUSDOSMSKEWOY-UHFFFAOYSA-N	233.076	-0.104	50	10	BBGE	
CN(CC1CC1)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023852264	FSCSQMWRWLNPPZ-HAQNSBGRSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@H]4C[C@@H]43)(C1)C2	2023853244	KNKIRLYMSMTAFV-CRRMYELQSA-N	237.303	-0.380	50	10	BBGE	
CN(Cc1ccnn1C)c1ccc(B(O)O)cn1	2052459129	AWCNMOKNALTHIK-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CN(C[C@]12CCC[C@H]1C2)c1ncc(B(O)O)cn1	2052469633	SZGWMCSKIZYEQN-JOYOIKCWSA-N	247.107	-0.217	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCN(C)C[C@H]1C	2052622149	QFGCIWLUPKXPBA-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1cnc(N2CC3(CCOC3)C2)c(B(O)O)c1	2052622970	CKLNLAPSZDYJQO-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1ccc(F)cc1	2058153897	APLZFJPPTKJMEP-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@@]12CCOC2	2077648055	MCAXKQHIGCYDEJ-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CO)C2)CCC1	2212249053	JVDUNIMKXSSLLZ-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
C#C[C@@H](Nc1ncc(B(O)O)cn1)C(C)C	2212604293	VSRIBWUBYOMKFG-SECBINFHSA-N	219.053	-0.774	50	10	BBGE	
OB(O)c1ccnc(NCc2ccno2)c1	2212610123	CSHBYSFAPRHFAC-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CCC[C@H](CN)Nc1cc(B(O)O)ccn1	2212610588	LJGBWRNIYQGLGN-SECBINFHSA-N	223.085	-0.699	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1cc(B(O)O)ccn1	2212613055	RBAPATUJYNOOBB-XVKPBYJWSA-N	225.028	-0.112	50	10	BBGE	
CC=CCCCN=c1ncc(B(O)O)c[nH]1	2212614415	CUEYANMUDPWLDO-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCN2CC[C@H]1C2	2215775412	GSRLNWUHVAHCCV-VWYCJHECSA-N	238.335	-0.608	50	10	BBGE	
CCOCCCCN=c1ccc(B(O)O)c[nH]1	2217179497	LIMIGECXCVWKHI-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
CN(C)C1CC(Oc2cc(B(O)O)ccn2)C1	2217193355	MHUCCEQZBOUHLI-UHFFFAOYSA-N	236.080	-0.767	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1c1ncccc1B(O)O	2217198576	CVROYNSRYPPTJU-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Nc1ncccc1B(O)O	2217200323	SCHJTALGULXEBU-IUCAKERBSA-N	235.096	-0.701	50	10	BBGE	
C#CCOC1CN(Cc2cccc(B(O)O)c2)C1	2220060312	WOTDFUCLPMSHBD-UHFFFAOYSA-N	245.087	-0.800	50	10	BBGE	
CN(C)CC1(CNc2ccc(B(O)O)cn2)CC1	2223633016	QTNGGCKBXOJMFD-UHFFFAOYSA-N	249.123	-0.485	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1B(O)O	2223649639	ZYKJUTACBONAFJ-QFOLPQNPSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@@H]3CC[C@@H]32)nc1	2223651563	XUNVMDSXXBSMLQ-VWYCJHECSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@]23CCCOC3)c1	2223678774	HTWNWLKDPOASKI-PWSUYJOCSA-N	248.091	-0.258	50	10	BBGE	
O=C(NC1CSC1)C1(B(O)O)CCC1	2241472769	XNYRTYMQFQBHSA-UHFFFAOYSA-N	215.083	-0.385	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(O)(CCO)C1	2241809690	VFUGOOTZVSVWTO-BQBZGAKWSA-N	219.668	-0.431	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@H]1[C@H](O)CO	2241811343	OHHZCXDLTHZMFS-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
CCn1c(=O)cc(O)n(C[C@H](Cl)C#N)c1=O	2243057864	CLJOTCLTCWJPCP-ZCFIWIBFSA-N	243.650	-0.134	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccoc1B(O)O	2243356302	FMRHKFFBFKIXLH-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccc(B(O)O)s1	2243357256	UBUCMBCDLGJFCG-NTSWFWBYSA-N	243.068	-0.484	50	10	BBGE	
O=C(Nc1nccs1)c1occc1B(O)O	2243363771	MDXRLARMTAIAED-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CO[C@H](CNC(=O)C1(B(O)O)CC1)CSC	2243364881	DRJBAWWDDHDLHR-SSDOTTSWSA-N	247.125	-0.512	50	10	BBGE	
O=C(NO[C@H]1CCOC1)C1CC(B(O)O)C1	2243396671	PIFGZYLCUSJYIB-RRQHEKLDSA-N	229.041	-0.924	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CO)C1(B(O)O)CC1	2243409363	GMCNPTFSHKJSQJ-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243410079	VDNXYLRWAKYNIO-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
C[C@@H](CCO)CNC(=O)C1CC(B(O)O)C1	2243413771	NCUOZWZXZSKHRT-UEJVZZJDSA-N	229.085	-0.626	50	10	BBGE	
CC(C)(CC#N)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427246	SGYHDBXIKNSEMZ-YUMQZZPRSA-N	224.069	-0.095	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1cc(B(O)O)co1	2244212158	LWNYORXFNZDQBZ-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCN1	2244517601	ZUMWLOWYXAYKNL-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
COC(=O)NCc1ccc(B(O)O)c(C)c1	2245272557	WIGQZTZRJIEGSY-UHFFFAOYSA-N	223.037	-0.469	50	10	BBGE	
O=C(C#CB(O)O)N1CC(F)(F)C2(CC2)C1	2245902676	KXNUGLJEKZXUPX-UHFFFAOYSA-N	228.991	-0.741	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)[C@@H]1CCCO1	2247739247	ZHYANONZERZFLE-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)cn1CCC	2247752519	QSGWUSSEFMVSST-UHFFFAOYSA-N	238.096	-0.282	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@@H]1CN	2247754620	GTHSUIHHXIULLB-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1n[nH]cc1B(O)O	2247783833	LPXZEYRGUQKRCV-SNVBAGLBSA-N	237.068	-0.992	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786525	BVXLHEYQDXAZPX-AXTSPUMRSA-N	243.112	-0.095	50	10	BBGE	
O=C(NCC1CCNCC1)[C@H]1C[C@@H](B(O)O)C1	2247791673	OJNPNVLYKPHHQM-AOOOYVTPSA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@H](CO)C1CCCC1)[C@H]1C[C@H]1B(O)O	2247798461	ULLGJEFHOAYKSR-IVZWLZJFSA-N	241.096	-0.483	50	10	BBGE	
C#CCO[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247799012	ZAEMUPGVWMFYET-LPEHRKFASA-N	237.064	-0.900	50	10	BBGE	
COc1ncccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247804707	HYMMBBFAVATIIU-BQBZGAKWSA-N	236.036	-0.108	50	10	BBGE	
N[C@@H]1CCCCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806001	LWRGVZPKKZDQKV-UTLUCORTSA-N	240.112	-0.421	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@]2(O)C[C@H]2C1	2247806804	GHSQFGQAASWUNZ-JIIGURBLSA-N	239.080	-0.777	50	10	BBGE	
O=C(N1CCOCC12CC2)C1(B(O)O)CCC1	2247855433	SCIDYLNJIBBAKF-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
CC1(C)CC(CO)(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247859745	ORPJROALXBULPL-YUMQZZPRSA-N	241.096	-0.483	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)cn2C)C1	2247875227	USRXJICUBMGZHK-UHFFFAOYSA-N	234.064	-0.847	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1NC(=O)C1(B(O)O)CC1	2247879044	PKNQOYPXJKRCQN-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](N)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247900697	ZADFPINRJDJGFK-QNSHHTMESA-N	240.112	-0.565	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1CC(N)=O	2249305502	LNAASDVLIOOAPW-YIZRAAEISA-N	242.323	-0.659	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC(F)CC1	2249418472	UQMBWNORBNSONE-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CCCN(C(=O)NCCC#CB(O)O)C1	2249986428	QIJIEOFNEPYBQW-JTQLQIEISA-N	238.096	-0.167	50	10	BBGE	
O=C(CC1CC(F)(F)C1)NCCC#CB(O)O	2249998157	DYUJSRIXGQSEPQ-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CC[C@H]1C[C@H](C(=O)NCB(O)O)[C@H](C(=O)O)C1	2251305356	ZFDJFWYUHPQQGW-BIIVOSGPSA-N	243.068	-0.748	50	10	BBGE	
COC[C@H](OCc1cncc(C)c1)C(=O)NN	2253368990	AZYYAENDEWFNAG-JTQLQIEISA-N	239.275	-0.088	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2255464112	ROBMVOYMEFRXKK-BRPSZJMVSA-N	249.075	-0.265	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ccc(B(O)O)cn1	2255674180	KQZFFWMRHFIZPY-SECBINFHSA-N	247.063	-0.817	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1F	2255718649	CVJPWILXVKTWTI-MRVPVSSYSA-N	247.034	-0.647	50	10	BBGE	
CC(C)(NC(=O)c1ccncc1B(O)O)C1CC1	2255728985	OLBUQJMCEIFJHA-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ncc(B(O)O)cn1	2255781627	RAPOYZITKIXGAO-SECBINFHSA-N	249.079	-0.973	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2255952285	QRWWSNJOFPVFEC-OIBJUYFYSA-N	249.075	-0.400	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2C)ccc1B(O)O	2260823396	CSGWAIMDYPGIAG-LDYMZIIASA-N	247.103	-0.053	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1B(O)O	2264100304	VTGSAATYMZXVLB-GXSJLCMTSA-N	247.103	-0.053	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@@H]3CCCO[C@@H]32)c1	2298224661	WVRYHLIMENFDGN-LSJOCFKGSA-N	234.064	-0.649	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C(=O)O	2298463136	RPOXKIKTYSVKAU-JWXFUTCRSA-N	241.052	-0.925	50	10	BBGE	
CN(CCCO)c1ccc(B(O)O)cc1C#N	2301339940	YNVITQHNOLMTJI-UHFFFAOYSA-N	234.064	-0.943	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]1C2	2302050491	QRDRBTLWUIDIST-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848103	UCMFMCLRNWRTGI-RCOVLWMOSA-N	239.059	-0.950	50	10	BBGE	
C=CC[C@@H](Oc1ccc(B(O)O)cn1)[C@H]1CCN1	2314242608	BGLVYHQROIEYBJ-GHMZBOCLSA-N	248.091	-0.553	50	10	BBGE	
CCCN(CCN(C)C)C[C@H](C)C(=O)NN	82470138	KIXODYLAWQDRAQ-JTQLQIEISA-N	230.356	-0.114	50	10	BBGE	
C[C@@H](CSc1ncn[nH]1)C(=O)NN	82471868	DTKRCLANRDWWSB-BYPYZUCNSA-N	201.255	-0.477	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNCC2)cc1	110587961	ZLOIKDNSOAVJDX-UHFFFAOYSA-N	234.303	-0.305	50	10	BBGE	
C[C@H](Cn1cnc(C#N)c1C#N)C(=O)NN	164686330	DJQXVMUSNPFRRJ-ZCFIWIBFSA-N	218.220	-0.748	50	10	BBGE	
CCN(CCOC)Cc1cccc(B(O)O)c1	199007330	KAENLRQPOARKMR-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1cnn(C)c1	203392441	DZOXBJMERIQDGR-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1cccc(-n2cc(B(O)O)cn2)c1	203615554	DRVUKGKJIWJLRV-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
OB(O)c1cccc(-c2ccccn2)n1	204434357	KDOJABQNOYTHMV-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	216743348	IZUOJOKQNXSAHQ-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
Nc1ccn([C@@H]2C[C@@H](Cl)[C@H](CO)O2)c(=O)n1	219596324	PRVPTKWTZHAFNZ-CHKWXVPMSA-N	245.666	-0.287	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@H](C(=O)O)O1	222776005	CHJQPQJBLNMRQZ-PHDIDXHHSA-N	202.210	-0.789	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C)[C@@H](C)C(=O)NN	234365999	ROBNCUOBIMKXLX-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCN(C)C[C@@H]1C	234706686	ARNPBAYDQLJFEI-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CCOC(=O)N(NC(N)=O)[C@H](C)C#N	238265367	ZXUFIYXHAKCOCU-RXMQYKEDSA-N	200.198	-0.060	50	10	BBGE	
O=S(=O)(O)SCCNCCO	238704826	MRYIOTOYPVGNKC-UHFFFAOYSA-N	201.269	-0.896	50	10	BBGE	
CN(N)C(=O)Cc1ccc(S(C)(=O)=O)cc1	258945639	DETAQFOGHZCFKS-UHFFFAOYSA-N	242.300	-0.035	50	10	BBGE	
COC[C@@H]1CCCN(C[C@H](C)C(=O)NN)C1	300055184	HAAJLROHAYQJAZ-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
O=C(CS(=O)(=O)CCCl)NC1CC1	300788648	GXZHIZNBPFHRTE-UHFFFAOYSA-N	225.697	-0.081	50	10	BBGE	
C[C@@H](CN1CCC(F)(F)C1)C(=O)NN	306237107	LMCLSVXAEAFQTF-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
O=C(CBr)NCc1c[nH]nn1	307488804	DSUGETARNMFMNH-UHFFFAOYSA-N	219.042	-0.184	50	10	BBGE	
CNC(=S)NN=CC(C)=NNC(N)=O	308334774	HYPNDVXQIAIZEQ-UHFFFAOYSA-N	216.270	-0.890	50	10	BBGE	
Nc1nc(CCl)nc(NCc2nnn[nH]2)n1	309428888	MDANZKVQAWWLHQ-UHFFFAOYSA-N	241.646	-0.682	50	10	BBGE	
CCN(CCOCCO)[C@@H](C)[C@@H](C)C(=O)NN	383097401	YYJRMKRTLISPCI-ZJUUUORDSA-N	247.339	-0.668	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CO)[C@H]1C	385667610	MQXGJSGIQWPEBH-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1coc(CN2CCSC2=O)n1	386768228	JHHHYGAOFKQJLR-UHFFFAOYSA-N	242.260	-0.053	50	10	BBGE	
CN(C)C1CN(Cc2ccc(C(=O)NN)o2)C1	394464555	RKLWAPDSNFYZDY-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
C[C@@H](CN(C)Cc1ccncn1)C(=O)NN	396613563	GKPBYZZEHYYHFF-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
C[C@H](OCCOC1CCC1)C(=O)NN	400759359	POXZILBSVJXPDZ-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
CC(C)OCCCn1ccc(B(O)O)n1	689372995	IYPDZUCAKZUEGP-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
CCN(C[C@H](C)O)[C@@H](C(=O)NN)C(C)C	692176637	ZPQJYUFTIUXDIQ-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
CO[C@@H](C(=O)Nc1ccc(B(O)O)cc1)C1CC1	692714413	GNWPBIYYOVYSJF-LLVKDONJSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@@H]1N(C)C	693630048	MHYNDLFGPNDOEW-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC[S@](C)=O	695114222	ZDROBUCJWXUYAQ-ABKXIKBNSA-N	249.380	-0.299	50	10	BBGE	
CNNC(=O)CSc1nnnn1C1CC1	704641571	YIARHPFNAFAGCC-UHFFFAOYSA-N	228.281	-0.649	50	10	BBGE	
CN([C@H](C(=O)NN)C(C)(C)C)[C@@H]1COC[C@H]1O	708124846	RIMFGVSXYSQMDB-IWSPIJDZSA-N	245.323	-0.918	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)C(=O)NN)CS1	709728322	FFVRWFPAWLPAIU-BQBZGAKWSA-N	231.321	-0.281	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccccc1B(O)O	713938733	LIQHDFUOMUWTFL-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)c1cnn[nH]1	716735278	LTAPJFMZQYCNDR-ZCFIWIBFSA-N	231.687	-0.297	50	10	BBGE	
C#C[C@@H](CO)NC(=O)[C@@H](C)Br	718209932	KSFYEUJYNFHBCD-RITPCOANSA-N	220.066	-0.120	50	10	BBGE	
CN1C[C@H](CCNC(=O)NN)CC1=O	723353090	QLMZWSRKHAMDDV-ZCFIWIBFSA-N	200.242	-0.972	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)c1ccccc1F	740739049	YFUGLIRFPDDTOQ-UHFFFAOYSA-N	239.206	-0.538	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CC1CC1)NC(N)=O	848144099	KCTIBHUKMFKQTO-LURJTMIESA-N	242.279	-0.619	50	10	BBGE	
Cc1sc(CCN)nc1C(=O)NN	885829153	ABRFUZKSIVGMOC-UHFFFAOYSA-N	200.267	-0.444	50	10	BBGE	
COCCN(C)NC(=O)CCc1cn(C)nn1	1118759398	NLAXYGDUNYUKNX-UHFFFAOYSA-N	241.295	-0.643	50	10	BBGE	
CO[C@@H](C(=O)NNc1nc[nH]n1)[C@@H]1CCOC1	1118770148	KNIZSECUCKKBIZ-RNFRBKRXSA-N	241.251	-0.701	50	10	BBGE	
Cc1c(C(=O)NNC(=O)N(C)C)nnn1C	1142535048	IOQFAPOCOGIXTQ-UHFFFAOYSA-N	226.240	-0.960	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cc[nH]n1	1300693908	FEPAXDNGRORNAU-WLGLDCGKSA-N	248.242	-0.604	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)CC#N	1328087416	YKCZQHNSBUTPEF-SSDOTTSWSA-N	240.263	-0.792	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)NC1CC1	1597633304	MKFCBBSWIKMJEE-UHFFFAOYSA-N	237.263	-0.165	50	10	BBGE	
Cn1nc(C(=O)NNC(=O)CO)c2ccccc21	1611094633	GNNYDNXSVLSRPI-UHFFFAOYSA-N	248.242	-0.673	50	10	BBGE	
Cn1ccc(NNC(=O)C[C@H]2COC(=O)C2)n1	1641538122	CAZJFKYVJCNFET-SSDOTTSWSA-N	238.247	-0.184	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H](N)CCCNC(=N)N	1866120101	VNBCAZZLEKOGFM-NKWVEPMBSA-N	249.746	-0.680	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2C[C@H]2Br)C1=O	1877372581	MSNCVMOREALWSY-QWWZWVQMSA-N	247.048	-0.152	50	10	BBGE	
NC[C@@H](O)C(=O)NC[C@H]1C[C@H]1Br	1881348958	LMZCPXIUDQEKLM-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1883645317	NPQHBQNCPCVZDR-MROZADKFSA-N	206.629	-0.858	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)C[C@H]1CO	1886211246	CMPQLZIUWCHNTR-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)[C@H]1C[C@H]1Cl	1893470749	WFZGUIIUNOZGDU-NTSWFWBYSA-N	240.712	-0.639	50	10	BBGE	
C=C(CN1C[C@H](OC)C[C@@H](OC)C1)B(O)O	1897283907	OCSQXBQASHOWRJ-NXEZZACHSA-N	229.085	-0.710	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC[C@@H]1CCN1	1901340004	XIGWERZWALDFMZ-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
C[C@H]1CCN(CCN2CC[C@@H](B(O)O)C2)C1	1902513695	SMNBEAWKCYSSBR-WDEREUQCSA-N	226.129	-0.123	50	10	BBGE	
C[C@@H]1[C@H](Nc2cc(B(O)O)c(F)cn2)[C@@H]1C	1903010172	MTAFZGLRIPPXKX-HZJKJOLQSA-N	224.044	-0.033	50	10	BBGE	
NNC(=O)C(F)(F)COCC1=CCCOC1	1905027233	OISKKRSVILGUDK-UHFFFAOYSA-N	236.218	-0.025	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@H](CO)[C@@H]2C1)C(=O)NN	1907271243	ZQSCVSSVSLIYOG-LPEHRKFASA-N	241.335	-0.437	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C[C@@H]1C[C@@H]1C(=O)NN	1907546390	GDZPVWJRRDSYCO-MFDAYCCISA-N	239.319	-0.421	50	10	BBGE	
CCCN(Cc1ccccc1B(O)O)C1COC1	1915676752	NVTXMISUJMJWNC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
COC(=O)[C@@H](O)CN1CC=C(C#N)CC1	1917110211	RMHIRSLLIQFANF-VIFPVBQESA-N	210.233	-0.324	50	10	BBGE	
CC1(n2nnnc2CCl)CS(=O)(=O)C1	1918400814	SBYJBQLYKQXYQW-UHFFFAOYSA-N	236.684	-0.445	50	10	BBGE	
O=C1NCCCC[C@@H]1NNC(=O)C(F)(F)F	1923407776	GTOFQSUTBYTOFK-YFKPBYRVSA-N	239.197	-0.162	50	10	BBGE	
Cn1cnnc1SC[C@@H]1C[C@H]1C(=O)NN	1927916010	MONSFIZAUIJULM-NTSWFWBYSA-N	227.293	-0.467	50	10	BBGE	
Cc1cccnc1CC(=O)NNCCO	1929836291	HGNUHMZYZMBORR-UHFFFAOYSA-N	209.249	-0.454	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1931249559	ZTTXJQUYLZAVMB-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccnc1[N+](=O)[O-]	1935927221	AAMGHFRLVWLXFG-UHFFFAOYSA-N	235.150	-0.584	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)CC(F)(F)C(=O)NN	1935943532	FBWVYFXHHCCEGI-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccc([N+](=O)[O-])n1	1936088947	AIXHXAJCRZPACU-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COC[C@H]3C2)CC1	1938249129	QEXQOTYIMOFPED-RKDXNWHRSA-N	225.292	-0.665	50	10	BBGE	
Cc1cc(C)n(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)n1	1941089788	XDWLBZAJUMWWBW-IUCAKERBSA-N	236.275	-0.514	50	10	BBGE	
CCC(=O)N1CCc2cc(B(O)O)ccc2C1	1944856896	IDZTWQOWFSITAU-UHFFFAOYSA-N	233.076	-0.339	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cc(C)nn1C	1949602428	APSVZWVIWITASA-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@H](O)C[C@H]1O	1956249797	ZWFLLPIMWFJLIT-RRKCRQDMSA-N	243.712	-0.971	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1957175192	LCTQIJCHTHPUKK-JKUQZMGJSA-N	220.656	-0.627	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	1958793404	LMGVDMNEBKICCA-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)C(=O)NN)on1	1961297010	PMQLSDHXLGYASP-ZETCQYMHSA-N	212.253	-0.207	50	10	BBGE	
CN1CC[C@H]2[C@H](CCCN2C(=O)NN)C1	1961459925	FYGZBGZUXKQFEA-BDAKNGLRSA-N	212.297	-0.014	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C1	1961692780	WCCNWKZKRSRAHM-ZETCQYMHSA-N	207.042	-0.997	50	10	BBGE	
NNC(=O)CCN1CCC2(CC(O)C2)C1	1962115483	RMRZJDWXEJPAHS-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CCO[C@@H]1C(N)=O	1962120575	BKFZRYNVZXYENK-VQVTYTSYSA-N	234.683	-0.380	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H]1CCS(=O)(=O)C1	1974785686	OLSLLSALKPGXCX-HTQZYQBOSA-N	249.719	-0.222	50	10	BBGE	
C[C@@H](O)CN(C)CCC(F)(F)C(=O)NN	1975105092	WZRIKHKLIHXBNF-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCc2occc21	1976757480	FFXXVDFPYDMTOO-ZETCQYMHSA-N	223.232	-0.237	50	10	BBGE	
CN(C(=O)NN)[C@@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	1976994663	JYWBIOVZHMTMLH-RNLVFQAGSA-N	247.320	-0.675	50	10	BBGE	
COC1(CF)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1980378396	UVFHNMPALVMMCH-HTQZYQBOSA-N	231.271	-0.717	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CC[S@]1=O	1981188924	SGGOPYYFDUUQJL-JDNHERCYSA-N	247.364	-0.401	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1COc1ncc(B(O)O)cn1	1985918044	ZUCCYVXGGIAFJS-QMSLJYSESA-N	222.053	-0.563	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1CC(N)=O	1986121550	AMCYFOLBJBOGSM-QMMMGPOBSA-N	228.296	-0.904	50	10	BBGE	
COC[C@@H](O[C@H]1C[C@H](N(C)C)C1)C(=O)NN	1986221028	IERLAIBKAVCRCF-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CCN(CCF)c1nc(C)ccc1B(O)O	1986592617	RVULJPHBMQVYGM-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H]1C[C@@H]1C(=O)NN	1987560241	KJNWJEXBBTVCMY-QEYWKRMJSA-N	224.308	-0.999	50	10	BBGE	
CC(C)CS(=O)(=O)N[C@H]1CCC=C1B(O)O	1991329061	VIWJPLPQMQOVSD-VIFPVBQESA-N	247.125	-0.337	50	10	BBGE	
COC[C@@](C)(CN(C)[C@H](C)C(=O)NN)OC	1992135285	MBHRGQDWBBBFPN-PSASIEDQSA-N	233.312	-0.652	50	10	BBGE	
COCCO[C@@H]1CCN(CCCC(=O)NN)C1	1996764457	BEXAYWXJEZJRSO-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C(=O)NN)C(C)C)n1	1997733114	HABVYUQTSRHZGE-SECBINFHSA-N	241.295	-0.176	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCN1CCCC1=O	2004408028	RLXOCJDDBZWCSE-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
OB(O)c1cccnc1N1CCCC(F)(F)C1	2004936209	WKPPOOMNNOMGMF-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@H]3C2)n1	2005015416	AGOWCQKYQLJXIP-DTORHVGOSA-N	233.080	-0.771	50	10	BBGE	
Cc1nc(N2C[C@H](F)[C@@H](F)C2)ccc1B(O)O	2005017681	IUIUQPHRCMGINT-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
CN(CC(=O)NN)Cc1cccn2ccnc12	2007999356	NSRURIBCQJQAHA-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@]2(CCO2)C1	2008868297	SAWQSLGKVISROF-SECBINFHSA-N	249.261	-0.134	50	10	BBGE	
C[C@@H](F)[C@H]1CCCN1c1ncncc1B(O)O	2010591395	MJWIZWZQIFAMSV-VXNVDRBHSA-N	239.059	-0.517	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1C[C@@H](O)[C@H]1C	2011372112	GOGMPDDRPMJVGZ-HZGVNTEJSA-N	239.275	-0.243	50	10	BBGE	
CCC[C@@H]1CN(CC(=O)NNC(C)=O)CCO1	2019208768	HVPDTFYTDBNJNA-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)cc1	2022196398	LSAAOVVJDYWFCE-UHFFFAOYSA-N	231.060	-0.173	50	10	BBGE	
C=C[C@]1(CO)COCCN1[C@@H](C)CC(=O)NN	2022249280	FNOMJJAEKOCZJE-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@@H]1C[C@H]1C(=O)NN)C2	2029479349	MJOGUFYJJZZXML-GXSJLCMTSA-N	249.318	-0.367	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1cnco1	2031811666	VLFUHYRTIFYSLR-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2052470321	CACFZICRHIEHPG-XBLOIYCDSA-N	245.091	-0.753	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@H]2CO3)ccc1B(O)O	2052622174	QLZYEQOYMYHEKG-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
C[C@H](CN(C)[C@@H](CO)CC1CC1)C(=O)NN	2210716711	MQTIZGVHLMAQHW-PSASIEDQSA-N	229.324	-0.295	50	10	BBGE	
Cn1cc(OC[C@H]2CC[C@H]2C(=O)NN)cn1	2211827133	AQJXWGWPHFDUPV-VXNVDRBHSA-N	224.264	-0.185	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CCCO)C1	2212350069	ZKTAIYZSGLOGLO-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CC1(C)C=CCN1c1ccc(B(O)O)cn1	2212602691	IECORFLAASSISS-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2212610129	CUWJNHCKHNMYDB-JGVFFNPUSA-N	221.069	-0.947	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2212615422	ORWTUFHXHXAMQI-IUCAKERBSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1cccc(CS[C@H]2CCNC2)c1	2212641576	JPSWMLJBUZENAR-NSHDSACASA-N	237.133	-0.039	50	10	BBGE	
CN(c1ncccc1B(O)O)C1C[C@H]2C[C@@H]2C1	2216636978	HMPMBJMZFNMZPT-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1cnc(NC(C2CC2)C2CC2)nc1	2217173218	PDVIGIPDNXKAMR-UHFFFAOYSA-N	233.080	-0.243	50	10	BBGE	
CC[C@@H](COC)Nc1cc(B(O)O)c(C)cn1	2217180380	HARFXOKKGWPILC-VIFPVBQESA-N	238.096	-0.093	50	10	BBGE	
OB(O)c1cccnc1NCCCN1CCC1	2217196510	GTRJZECHOBACBK-UHFFFAOYSA-N	235.096	-0.731	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ncccc2B(O)O)CO1	2217203040	OTLTYVKQYQEHRL-DTWKUNHWSA-N	236.080	-0.259	50	10	BBGE	
OCCC1(Nc2cc(B(O)O)ccn2)CCC1	2217204064	DUMYSKCWOIBDGN-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
OB(O)c1cccnc1NCCC[C@H]1CCCN1	2223635983	DOGBXYVVCARZLL-SNVBAGLBSA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2NCC[C@@H]21	2223637777	HAZVLMJLFLCUDO-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N2CC[C@@]3(CCN3)C2)cc1B(O)O	2223653314	PTBNWUYNMPFCBT-LBPRGKRZSA-N	247.107	-0.988	50	10	BBGE	
CCN(O)S(=O)(=O)N1CC(Cl)C1	2241353620	JYKNWZHWABQOEB-UHFFFAOYSA-N	214.674	-0.135	50	10	BBGE	
Cc1cc(B(O)O)c(CN(C)C=O)s1	2241554962	INUMOPYXJANYMF-UHFFFAOYSA-N	213.067	-0.675	50	10	BBGE	
CO[C@@H](CCl)CN=c1[nH]ncn1C	2242439613	KBUJCTQQQBXMFX-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
COCCCNC(=O)c1cscc1B(O)O	2243346579	AUYIBVLGJOWNAI-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)S1	2243362082	LPVAWAHGMIGBPH-RKDXNWHRSA-N	241.121	-0.256	50	10	BBGE	
O=C(N1Cc2conc2C1)C1(B(O)O)CC1	2243363830	MZSXLKPZJFSKQG-UHFFFAOYSA-N	222.009	-0.476	50	10	BBGE	
CCCCOCCNC(=O)[C@H]1C[C@H]1B(O)O	2243395675	AQVUMOPNAVLVMX-DTWKUNHWSA-N	229.085	-0.218	50	10	BBGE	
O=C(N[C@H](CF)C(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243396713	PUMOJEQBHRMOQZ-MROZADKFSA-N	242.965	-0.134	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1F	2243413433	GCJHQVPXMNAWOV-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2243415129	OOPIGNOPOWTKFW-KZVJFYERSA-N	227.069	-0.874	50	10	BBGE	
CC(C)(O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420390	RNTQUBHMTHCSQH-ZKCHVHJHSA-N	229.085	-0.483	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC=C[C@H]1CF	2243425882	BXPKGRUOOFQUCC-CIUDSAMLSA-N	227.044	-0.024	50	10	BBGE	
CC(C)OC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426127	FGYULMFKZRSDIA-IUCAKERBSA-N	227.069	-0.515	50	10	BBGE	
COC[C@]1(C)[C@H]2C[C@H]2CN1CCC(=O)NN	2243807476	XJVZUBOOOQXQHM-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247733090	MCUUGLNPAGOQRO-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)oc1C	2247736216	SOKAQLGUSFQXAW-UHFFFAOYSA-N	235.048	-0.271	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247747578	PIDNWSOWWAUFQK-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1F	2247752087	IGXFAEALMFZATR-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1CCn2ccnc21)C1(B(O)O)CCC1	2247756789	OHRNVFATIHHEGR-UHFFFAOYSA-N	235.052	-0.373	50	10	BBGE	
O=C(N[C@@H]1CNC2(CCC2)C1)[C@@H]1C[C@H]1B(O)O	2247793050	WDGODVGBXZBBQH-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)NC(=O)C1CC(B(O)O)C1	2247793760	ZSANOUNXQXXXMA-YDYPAMBWSA-N	243.112	-0.095	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2247799996	KEGDBFBGTWJRIY-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247808946	NIRIQFKZMZXLNZ-ZOZBQHSOSA-N	241.096	-0.221	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1C[C@H]1B(O)O	2247809577	ZUCMQLIEDXYMHU-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
C#Cc1ccc(CNC(=O)C#CB(O)O)cc1	2247850845	ULKJVKBBOOZZPM-UHFFFAOYSA-N	227.028	-0.701	50	10	BBGE	
C[C@H]1OCC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247893399	QWVDNOJPUXISFR-XHHQTKHESA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H](CO)CC1CC1)[C@H]1C[C@@H](B(O)O)C1	2247893886	ZWZVALKBYNKBFH-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@H]1CN2CC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247895236	QGXXFOAPALSLTN-XKNYDFJKSA-N	238.096	-0.940	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247897038	NIBSGWZGZUBGSY-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
COC[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909034	DMZZSJVEQJKDKE-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cc1O	2247960995	BJBWRSCYTFYDEJ-UHFFFAOYSA-N	235.048	-0.670	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@H]1C[C@@H]1B(O)O	2248573851	KMQFKCKBMYXUIW-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248575088	DVFFDOTZXYGUKH-KNVOCYPGSA-N	241.052	-0.637	50	10	BBGE	
O=C(NC1(C(=O)O)CC=CC1)[C@@H]1C[C@H]1B(O)O	2248587809	UWTCBVMSIGENOU-RNFRBKRXSA-N	239.036	-0.861	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2255462103	QHSGRIWYDKVNKZ-HKLXJQGRSA-N	247.103	-0.057	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(F)c(B(O)O)c1	2255499774	DSSNYMXKQNMGPK-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
Cc1cc(C(=O)N2C(=O)C[C@H]2C)ccc1B(O)O	2255509468	MDLBKGMXEZNBCX-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1c(F)cccc1B(O)O	2255512103	UWWKVOGDSFAICV-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ncc(C)cc1B(O)O	2255560503	WCLSCHBAEZVXJY-QMMMGPOBSA-N	248.091	-0.378	50	10	BBGE	
Cc1cc(C(=O)Nc2ccncn2)oc1B(O)O	2255566476	QLXRQUYIVFGDFU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@@H]2C[C@@H]21	2255684816	QSWWFOBXHZIJBL-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2255690896	IZSLLXXCQVACSI-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255718094	UCGHMMJFIZMGAT-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@H]2C[C@@H]2C1	2255722462	OSSGIWNBFUEQQT-WCBMZHEXSA-N	246.075	-0.757	50	10	BBGE	
C=C1CON(C(=O)c2cccc(C)c2B(O)O)C1	2255736869	VDWSMEXDGIRANT-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCOC1	2255737080	ZDQXKQHXFVLXDF-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018102	WWMWNSXGEYOZQX-XCBNKYQSSA-N	249.075	-0.400	50	10	BBGE	
C#CC[C@@H](C)C(=O)NCc1ccccc1B(O)O	2256664274	AOZMWWSESLNGSW-SNVBAGLBSA-N	245.087	-0.358	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@@H]2C[C@@H]21	2257490411	BPEJRBXMIAHHCZ-SCZZXKLOSA-N	246.075	-0.696	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@H]21	2258128262	OYYWWRCZKWZIQY-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
O=C(NC[C@@H](F)[C@@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2298369505	WSPBGUMALKYYHK-BZNPZCIMSA-N	245.059	-0.660	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)[C@@H]1C	2298371538	NTRGZXHIINTMIP-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298376117	IWVWNKQFQFYLSI-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298633082	DWQKVHJBZUUVAB-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ncc(B(O)O)cc1F	2302908955	ZGKLLPAUVZUIMI-SSDOTTSWSA-N	236.011	-0.585	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2312857339	LWCZWFMIFPZALG-ZQNVIIHSSA-N	247.059	-0.560	50	10	BBGE	
NC[C@@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317308258	JBYHGSOZWYHPHD-NSHDSACASA-N	248.091	-0.894	50	10	BBGE	
NC[C@@H]1CC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311725	UNCMGOFKURGBJA-QPUJVOFHSA-N	249.075	-0.705	50	10	BBGE	
C[C@H](O)CNC=C(C#N)C(=O)NCCCl	2325271934	HYEFRZQQZXNVHU-ZETCQYMHSA-N	231.683	-0.281	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCc2ccccc2C1	51633832	WPELDFIIHZWFRA-JTQLQIEISA-N	233.271	-0.350	50	10	BBGE	
COC[C@H](O)CNC(=O)CBr	70590150	ILOBQZNALMZQPZ-RXMQYKEDSA-N	226.070	-0.495	50	10	BBGE	
CCCN1CCN(C[C@H](C)C(=O)NN)CC1	82465993	IYSIXVRPVGZVID-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CN(C)CC1CCN(CC(=O)NN)CC1	82469739	KKIXJQAWQFOEIK-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H](N)C1	82470172	IZOFOEGHBOSVCP-SECBINFHSA-N	214.313	-0.430	50	10	BBGE	
CC1CC(=O)N(CCCCC(=O)NN)C(=O)C1	93356880	UHNBNUZXDTUILZ-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)no2)CCO1	110569818	YPHWNULHZVXPDP-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](N2CCCCC2)C1	110583840	NSEJEHCLWYRBQG-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
Cc1cc(Cn2cnccc2=O)oc1C(=O)NN	111403030	MAYSTHUNPCPAHG-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@@H](Oc1ccc(C(N)=O)c(F)c1)C(=O)NN	157630569	YRRCPYDTVFPNLC-RXMQYKEDSA-N	241.222	-0.318	50	10	BBGE	
CN(C)/C=N/c1ccc(B(O)O)cc1C#N	204509772	IPLZMNADBFTZMZ-NTUHNPAUSA-N	217.037	-0.541	50	10	BBGE	
CN/C=C(/C#N)C(=O)NC[C@H]1CCCO1	216937746	GCHWOTDIFYHLGS-JGAIRUGNSA-N	209.249	-0.092	50	10	BBGE	
O=C1[C@H]2C[C@H]2C(=O)N1C[C@@H](O)CBr	225619051	JJOVHDOAMQPGFY-HCWXCVPCSA-N	248.076	-0.253	50	10	BBGE	
O=S(=O)(CBr)N1CC(O)C1	227981713	VCUXTIIFLNVGEM-UHFFFAOYSA-N	230.083	-0.655	50	10	BBGE	
NNC(=O)CCCCN(CCO)CC(F)F	231593107	KSXLVLDAGLZYJV-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C)(C)C1	232420525	UZIVVOUNGHIRFB-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC1=C(C#N)Cc2c([nH]c(=O)[nH]c2=O)N1	238186352	OILNFZNTLOVDDM-UHFFFAOYSA-N	204.189	-0.171	50	10	BBGE	
CN1CCC(C[C@@H](N)C(=O)N(C)N)CC1	258952436	BFEIWWMQQGIIOX-SECBINFHSA-N	214.313	-0.622	50	10	BBGE	
Nc1cc2cc(B(O)O)c(O)cc2s1	306882892	JOQLCFCJFPWUNZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1c(O)sc2cccc(O)c12	306942614	TWVMJPPZJSKROD-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C(=O)O)S1(=O)=O	307452022	UIDIKRSHKKSGAO-RXMQYKEDSA-N	242.684	-0.829	50	10	BBGE	
COC(OC)[C@H](O)/C(C)=N/NC(N)=O	308337777	GJZSWTLFJXOFEU-PQLPPJHNSA-N	205.214	-0.990	50	10	BBGE	
COC(=O)c1ncn(C[C@H](O)CCl)n1	308546091	PPWGWTYNANTCDV-RXMQYKEDSA-N	219.628	-0.336	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CN2CCC1CC2	379750251	KBMNSCNIDWSMAK-ONGXEEELSA-N	240.351	-0.219	50	10	BBGE	
N#CC1=C(N)C2=C(N)CC(=N)N[C@@H]2NC1=S	381225997	IKIGEJIIOFIATJ-MRVPVSSYSA-N	234.288	-0.837	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)CCl)C(N)=O	382312754	WSKNVKCQAUKPPD-BYPYZUCNSA-N	221.644	-0.685	50	10	BBGE	
NNC(=O)[C@H]1CC(c2ccc(Cl)nn2)=NO1	382691049	RCBXHAKLDAZDHS-ZCFIWIBFSA-N	241.638	-0.387	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CCCC(=O)NN	395061484	DULISUBCZOFQIC-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ccon1	404925439	ZRJONABBIJDITO-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H](O)[C@H]1CCCN([C@H](C)C(=O)NN)C1	688958845	KMDKZDYHUWIUOV-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CCc1ccc(Cn2ccc(B(O)O)n2)nc1	694308337	LBJZHMGPPLDLKZ-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CO)C1	694663163	VKLLOJOBFMYXSB-IQJOONFLSA-N	229.324	-0.295	50	10	BBGE	
CC[C@](C)(OC)C(=O)NNC(N)=S	700865664	LKWAQWQZXKQBSP-ZETCQYMHSA-N	205.283	-0.334	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C=C[C@H](N)C2)CC1	709386644	RFFBMGVBWPXZIX-ZJUUUORDSA-N	235.287	-0.233	50	10	BBGE	
CCN1CC[C@H](N(CC)CCC(=O)NN)C1	709908557	CUCONADXEVVUPS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H](c1cnn(C)c1)N(C)CCC(=O)NN	710154871	CTFVALXXJUOEIA-MRVPVSSYSA-N	225.296	-0.207	50	10	BBGE	
C[C@H](C(N)=O)N(C)[C@@H](C(=O)NN)C(C)(C)C	711140002	REZMJGYWSWZZPH-RQJHMYQMSA-N	230.312	-0.803	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)c1cnn(C)n1	717323499	SQNGWHHLYRHODY-ZETCQYMHSA-N	245.714	-0.286	50	10	BBGE	
Cc1nc(CNC(=O)C(=O)NN)sc1C	719393254	HOCQHSODOOUYHM-UHFFFAOYSA-N	228.277	-0.634	50	10	BBGE	
C[C@@H](O)[C@H]1CN(S(=O)(=O)CCl)CCO1	849399798	NYRBKDNVAWSVIA-RNFRBKRXSA-N	243.712	-0.406	50	10	BBGE	
C=CC(=O)NCCC(=O)NN=c1cc[nH]cc1C	862502278	HSTCIJLQYQTHID-UHFFFAOYSA-N	248.286	-0.053	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)[C@H]1C[C@@H](O)C1	898755550	UMSUZAYWFRIOET-KNVOCYPGSA-N	225.223	-0.143	50	10	BBGE	
CC(C)NC(=O)NNC(=O)COC1CC1	900417493	PCVWWVALFFFFOP-UHFFFAOYSA-N	215.253	-0.096	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NN(C)C(=O)OC	908114461	ITJXVTMQWJDYLO-BMMSZFGTSA-N	202.210	-0.347	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)C1CCOCC1	923058055	UHQLJLLKDNUBJC-GKQMSVHHSA-N	242.275	-0.503	50	10	BBGE	
CC(=O)NNC(=O)CCc1nnc(C)o1	1136045696	GDZAMRNKWXRFSY-UHFFFAOYSA-N	212.209	-0.522	50	10	BBGE	
O=C(CO[C@@H]1CCOC1)NNc1nc[nH]n1	1161431355	DPXLUGHCOHAEGI-ZCFIWIBFSA-N	227.224	-0.947	50	10	BBGE	
CCOC(=O)[C@H](COC)NC(=O)CCl	1334087466	PEMVRVWAVFYSJQ-LURJTMIESA-N	223.656	-0.081	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)c2ncon2)n1	1536937756	OETMSIQFSSYYJL-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
CCN(CCO)NC(=O)c1cnc2c[nH]nc2c1	1557199242	BDZDAWDCYITHCL-UHFFFAOYSA-N	249.274	-0.083	50	10	BBGE	
COCC(=O)NCCSS(C)(=O)=O	1636466683	VRSYCCYTCUNEOH-UHFFFAOYSA-N	227.307	-0.558	50	10	BBGE	
Cn1cnc(C(=O)NNc2ccncn2)n1	1637047214	SBPLTBFGOXKHQK-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Br)C(N)=O	1877334453	PMYJSFBMNNWGAV-VPENINKCSA-N	235.081	-0.240	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NN	1880022463	DFJXQUNYYBULQI-RNFRBKRXSA-N	245.279	-0.484	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)N1CCC1	1881939902	AOKREWCTFVVOLV-ZETCQYMHSA-N	222.697	-0.233	50	10	BBGE	
NNC(=O)C(F)(F)CCOCCF	1882525732	GNWIBJSGVZVWKG-UHFFFAOYSA-N	200.160	-0.012	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1883647988	TXYOBTWEKHYDHN-SRGUAZEISA-N	203.625	-0.100	50	10	BBGE	
CS(=O)(=O)C[C@@H](NC(=O)F)C(=O)O	1886392720	MOUDKVVRLRIALP-GSVOUGTGSA-N	213.186	-0.837	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@H]1[C@H](O)[C@@H](O)C2	1888323694	FKPRSSMHZXVWCN-AZRUVXNYSA-N	219.668	-0.290	50	10	BBGE	
CN(C)C(=O)CNC(=O)/C=C/C(=O)Cl	1893497248	DLIJZOJXZRWYEB-ONEGZZNKSA-N	218.640	-0.488	50	10	BBGE	
C[C@H]1C[C@]2(CCN(CCC(=O)NN)C2)CO1	1899561168	DMAFYKWIANWOBW-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1CCCC(=O)NN	1900249574	ACVSKIHKKKGFJC-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C(C(N)=O)[C@H]2C1	1900558199	KGTVUHLCGHKOJF-ZLUOBGJFSA-N	216.668	-0.197	50	10	BBGE	
N#CC1(F)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	1901275307	GJZAQKVUJPROJQ-KNVOCYPGSA-N	226.016	-0.687	50	10	BBGE	
CC(C)=C(CN=S1(=O)CCOCC1)B(O)O	1901703763	UXAFAHGKGTYJGT-UHFFFAOYSA-N	247.125	-0.167	50	10	BBGE	
C=C(C)CC(=O)NCc1ncc(B(O)O)s1	1902345819	XZWLSWCTIIRLNQ-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
C[C@@H](CC(=O)NN)N=S1(=O)CCC1	1913862393	MXDDSERTFJALRI-LURJTMIESA-N	205.283	-0.373	50	10	BBGE	
CC1(NS(=O)(=O)CCl)CS(=O)(=O)C1	1918431973	CLAQADYDWMSZKA-UHFFFAOYSA-N	247.725	-0.711	50	10	BBGE	
O=C(CCc1ccncc1)NNCCO	1929836270	GXEBOVSTIOAWBH-UHFFFAOYSA-N	209.249	-0.373	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1COC[C@H]1Cl	1935549485	QWHPZGPMHJDHCL-KZVJFYERSA-N	249.694	-0.087	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2COC[C@H]2C1	1936083771	JYXOJVCWAGULRK-QEYWKRMJSA-N	225.292	-0.809	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936087743	FZBKQRQLHYDFJY-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1COCC[C@H]1Cl	1937160221	RVMOXEMWBSZDMB-RQJHMYQMSA-N	245.670	-0.814	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](O)CC2)CC1	1938248868	MHXBHSDWFRMJBQ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CC(C)(C)C(=O)NN	1939636502	CRJNUKYQFWHMOK-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]2COC[C@@H]21	1941093036	NTISREZUAVWGJQ-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
CN(CCOCC(=O)NN)CCOC(C)(C)C	1941772718	NCTIKEVAFXLZOQ-UHFFFAOYSA-N	247.339	-0.260	50	10	BBGE	
CCN(CC)C1CN(CCOCC(=O)NN)C1	1941773315	WCZNCJLCPZMHHW-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1942494561	LWIBNTCEBFFMAB-AUTRQRHGSA-N	241.335	-0.295	50	10	BBGE	
CCCOCCOc1cnc(C)c(B(O)O)c1	1944011762	UGFJAUBYZVFPFT-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(=O)NC(C)(C)C1	1945293681	NRSDNKNMKGHQAS-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CC1CC(N)(C(=O)N2CCC(O)(C#N)CC2)C1	1945315698	VJFIXHZWEJZLHM-UHFFFAOYSA-N	237.303	-0.009	50	10	BBGE	
COCCCOCCOCC1(C(=O)NN)CC1	1945915147	MWYDHYISEVJGFQ-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
CC[C@@H]1COCCN(CCOCC(=O)NN)C1	1948693674	KFHZUJJPLWJMBD-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
COc1ncnc(N(C)C)c1C[C@@H](O)C#N	1953000392	MAJQQYVDXWWVLU-SSDOTTSWSA-N	222.248	-0.022	50	10	BBGE	
Cn1cnc(Cl)c1[C@@H](N)[C@@H](O)C#N	1953042840	VVSRDLWXSVEXFS-WHFBIAKZSA-N	200.629	-0.042	50	10	BBGE	
CCNC(=O)C1CN(C[C@@H](O)CCl)C1	1956531959	VZKZTJORXSPMJV-QMMMGPOBSA-N	220.700	-0.346	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H]2N)CC1	1957822538	PTKCEFWDFREONL-YUMQZZPRSA-N	209.249	-0.789	50	10	BBGE	
CCCOCCOc1nc(B(O)O)cs1	1961693885	GCUWURYVNTXKOE-UHFFFAOYSA-N	231.082	-0.372	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]1c1ncon1	1976762264	YXGGGEJKQLOCIK-ZETCQYMHSA-N	225.252	-0.414	50	10	BBGE	
C[C@@H](N=[S@](C)(=O)c1cnn(C)c1)C(=O)NN	1977066103	OHLCMIWUKJUGLG-ADNUTGFCSA-N	245.308	-0.745	50	10	BBGE	
NNC(=O)C1(CN2CC([C@@H](F)CO)C2)CC1	1979542323	FXQCBXAJCYVSFX-QMMMGPOBSA-N	231.271	-0.981	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1ccncc1B(O)O	1981409410	MHZYLOJNPCQBSX-PSASIEDQSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1ccc(OCc2ccco2)nc1	1981429821	IETXEIGRVCBQIV-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@H]1F	1982804329	BMYCIWWPGKUNDJ-DTWKUNHWSA-N	223.012	-0.337	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2(C)CC2)CC1	1984368322	YNUOOPOQTMBHJO-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CO[C@@H](C)COc1nccc(C)c1B(O)O	1986049130	NRLPVEXYZXSMPM-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
C[C@@H](O[C@H]1C[C@H](n2cccn2)C1)C(=O)NN	1986220743	CGNWLKUQRIDNCE-IWSPIJDZSA-N	224.264	-0.018	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC12CC(CO1)C2	1989835259	WCJPIWLYNFNQCQ-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C1CC(F)C1	1991329093	VUABILQSBFARSK-IEIXJENWSA-N	227.044	-0.049	50	10	BBGE	
O=C(O)[C@@H]1NCCN(CC2CC(Cl)C2)C1=O	1991699731	IVYFNXIQSCCZAZ-KAVNDROISA-N	246.694	-0.111	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1CCOC[C@H]1F	1991732195	QLCXXCZKDIDAQQ-PHDIDXHHSA-N	242.197	-0.245	50	10	BBGE	
O=C1CN(C[C@@H]2CO[C@H]3COC[C@@H]23)CC(=O)O1	1996354482	BPRLRLSDAKDNFD-VGMNWLOBSA-N	241.243	-0.967	50	10	BBGE	
CCC(C)(C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1998130537	LATXBRCZEHOLHY-ZETCQYMHSA-N	245.084	-0.145	50	10	BBGE	
C[C@]12CN(CCCCC(=O)NN)C[C@]1(CO)C2	2001045826	KFIJJGXUVAMKJB-RYUDHWBXSA-N	241.335	-0.149	50	10	BBGE	
C[C@H](CN1CCC12CCN(C)CC2)C(=O)NN	2003959013	OYPNLONUSYOWGA-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CCOCC3(CC3)C2)CC1	2004238519	PIQYZALZDVZRGI-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
CN(C[C@@H]1CCOC1)c1ccc(B(O)O)cn1	2004916363	KWBVKPLLZFECDV-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(CC2)CO1	2005014517	MPLFXCXFJOXCMN-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
Cc1nc(N2CCOC[C@H]2C)ccc1B(O)O	2005018652	WTRAITHLFWVWDN-MRVPVSSYSA-N	236.080	-0.705	50	10	BBGE	
CN1C[C@H](N(C)CCCCC(=O)NN)CC1=O	2014835387	YZLRKHXKZWBANK-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CO[C@@H](C(=O)N[C@@H]1CCC=C1B(O)O)C1CC1	2020068031	NMSSTRZTRXRPFN-NXEZZACHSA-N	239.080	-0.372	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(CCO)CCC1	2025522353	PYMJBNSONBIRHI-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(OCCCO)C1	2026045422	RZMMVWHTBASQGG-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CCC3)CC2)nc1	2052467988	XPAUPKJVHQWYPV-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@]12CCOC2	2052486151	BPBYEJYEWPLTQK-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC23CCC3)n1	2052619430	FMFVILJWLCBCLH-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
COc1cnn(Cc2ccc(C(=O)NN)nc2)c1	2056638519	YDCLLDRLLXNYHC-UHFFFAOYSA-N	247.258	-0.062	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)c([N+](=O)[O-])c1	2060014859	YALZFNURDPEPSK-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1ccc(B(O)O)c([N+](=O)[O-])c1C#N	2060216678	VUVZUAZAYLQFQR-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
COC12CC(C1)N(c1ncc(C)cc1B(O)O)C2	2065708340	WDNCNAMGGRVHFG-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CCON(C)Cc1cc(B(O)O)cs1	2209686739	TWIAYLFVIOSRMK-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(CC(=O)NN)C1	2209758483	PYYYSXIIWPFSTI-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
OC[C@]1(O)CCN(CC2CC(Cl)C2)C[C@@H]1O	2210506723	SPRIHKTZZYHCRF-WFBLGPOFSA-N	249.738	-0.206	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2(CCO2)C1	2211839014	OUCZSKWJTDTEMZ-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
NNC(=O)N1CC[C@H](O)CCCC[C@@H](O)C1	2211926092	YWOSSJJLRHEPOV-RKDXNWHRSA-N	231.296	-0.442	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1ncccc1B(O)O	2212601336	MTAKFBSHYOBGRQ-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1ccnc(NCc2cnsn2)c1	2212603793	ROVORCJRDCPYMP-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)c(F)c1F	2217069540	NIDYCINSDUZYBD-UHFFFAOYSA-N	244.006	-0.214	50	10	BBGE	
CN(CC(C)(C)CN)c1ccc(B(O)O)cn1	2217173972	VVCYLZTXEXHMJM-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
NC[C@H]1CCCCN1c1ccc(B(O)O)cn1	2217174431	ZAZAEPZHBRFCFL-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Nc1cc(B(O)O)ccn1	2217178445	WEBJINZJIBGKRC-VHSXEESVSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(N[C@]23COC[C@@H]2C3)cc1B(O)O	2217181331	ONKZQZHFHJKDBV-GZMMTYOYSA-N	234.064	-0.729	50	10	BBGE	
OB(O)c1cnc(NCC2(C(F)F)CC2)nc1	2217185341	VRQAWNOJZHVYIW-UHFFFAOYSA-N	243.022	-0.386	50	10	BBGE	
CC(C)NCCOc1nccc(B(O)O)c1F	2217186607	MALLEPDXIVOYJZ-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
CC(C)[C@H](CN)COc1cc(B(O)O)ccn1	2217188597	QQTOVHSVIOMZNP-SECBINFHSA-N	238.096	-0.629	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNc1ccc(B(O)O)cn1	2217196477	GGDGZQHWPUVJCY-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1c1ncccc1B(O)O	2217198575	CVROYNSRYPPTJU-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
CC1(N)CCN(c2ccc(B(O)O)cn2)CC1	2217200865	VOXSARVVSULOAY-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1C[C@@H]2C[C@H]2C1	2217203953	CIHYKTKYTFWLHH-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
CCC1(Cn2cc(B(O)O)cnc2=O)CCC1	2217410362	FAXFCLWNESQVLG-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CN1CCC[C@@H](CNc2cc(B(O)O)ccn2)C1	2223637973	TVDCCJUGBLHLSX-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCCC23CC3)[nH]c1	2223671066	HBLLHWGBSZSLEO-VIFPVBQESA-N	247.107	-0.430	50	10	BBGE	
COC[C@@H](O[C@@H](C)COC(F)F)C(=O)NN	2242793004	KPNYKDGUYCVQMC-NTSWFWBYSA-N	242.222	-0.364	50	10	BBGE	
C[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2243347152	IAXFIYANZVCDGT-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1	2243347327	LOOULWKBBRHFQE-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243350138	WCTKXBWLONSRIL-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCSCC1	2243357410	WMURFJDXRUKGOJ-SECBINFHSA-N	241.121	-0.349	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ncsc1B(O)O	2243358848	LIXPELCELJXSCG-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
C[C@@]1(NC(=O)C#CB(O)O)CCCC1(F)F	2243362629	UJQXHPVWQXWAIE-MRVPVSSYSA-N	231.007	-0.304	50	10	BBGE	
O=C(NCc1ccccn1)C1(B(O)O)CC1	2243363125	BIKSBMBHACXWEQ-UHFFFAOYSA-N	220.037	-0.295	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)C1(B(O)O)CC1	2243363486	HOUQBHBENNLMMF-IONNQARKSA-N	225.053	-0.854	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CC2)[nH]c1C	2243364448	XGLJZJALXQVVIM-UHFFFAOYSA-N	223.041	-0.028	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)COC	2243380999	BTKFMUUISQBEQU-VGMNWLOBSA-N	229.085	-0.362	50	10	BBGE	
CN(CC1(N)CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383446	YDKRAXPCEITIOX-OCAPTIKFSA-N	226.085	-0.811	50	10	BBGE	
O=C(N=c1cc[nH]cc1)C1CC(B(O)O)C1	2243392471	UMCJXMBIAQLPCK-UHFFFAOYSA-N	220.037	-0.305	50	10	BBGE	
CC[C@@](C)(CN)N(C)C(=O)C1(B(O)O)CC1	2243398097	MMJQMXCPJYLSMM-VIFPVBQESA-N	228.101	-0.421	50	10	BBGE	
O=C(NCCC(F)F)c1csc(B(O)O)c1	2243407083	LHMKDAJXSFVDMD-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
O=C(NC[C@H]1CCCOC1)C1(B(O)O)CC1	2243410204	WZQNZDUHUOGXQM-MRVPVSSYSA-N	227.069	-0.464	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=C(F)C1	2243411361	RXLRFBDGCPEUER-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
COC1(C)CN(C(=O)C2(B(O)O)CCC2)C1	2243411746	ZKLKNPZNDXTQMK-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CC=CC(=O)NCc1cccc(B(O)O)c1	2243669802	XADCDDFOAKOTKV-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
CS[C@H](C)CNC(=O)c1cocc1B(O)O	2244212494	QSHNJHIDPNEYBN-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2247740281	ILBYKOURGOMYDX-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1occc1B(O)O	2247750331	HSYYHBOLOWGFIX-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2247752151	JRSALGPTHSZTFE-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
O=C(N1CCCCC12CNC2)C1(B(O)O)CC1	2247759192	ZNRGYKWEBGYDJU-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788128	ZROOWVQVZHRSJB-DOLQZWNJSA-N	243.112	-0.239	50	10	BBGE	
CC(C)[C@@](C)(CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247792266	RVLCNDHFSNECNS-FXPVBKGRSA-N	242.128	-0.271	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCOC1	2247797205	HABADNOZASKRBA-IVZWLZJFSA-N	237.064	-0.900	50	10	BBGE	
O=C(N[C@@H]1CNCC12CCC2)[C@@H]1C[C@H]1B(O)O	2247799674	GTGLYRPXYPDLOA-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
CNC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808985	WUCZIXQPNZSRAE-IVZWLZJFSA-N	240.112	-0.693	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)[C@H]1C[C@H]1B(O)O	2247809072	NLTYMXWYXJUOFE-CVPUBMOQSA-N	239.080	-0.610	50	10	BBGE	
CCC[C@H](NC(=O)C1CC(B(O)O)C1)C(N)=O	2247809678	QLPLVRFKWMFZIS-RRQHEKLDSA-N	242.084	-0.990	50	10	BBGE	
CC(C)n1ccc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247809783	RIDDKZWXQLICMO-JGVFFNPUSA-N	237.068	-0.313	50	10	BBGE	
CC1(C)COCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247809963	SQEJQHNDUIRXKS-VGMNWLOBSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2COC[C@H]21	2247810194	VOJFPOIPSMRQGL-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
COC[C@@]1(F)CCN(C(=O)C2(B(O)O)CC2)C1	2247853555	NSGGKZFUANDNNS-SECBINFHSA-N	245.059	-0.420	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCOC1	2247859489	MWMLMNQFEDEEKC-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCCN1	2247877085	BRXUHBCUBHLRPX-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
NCC1(F)CC(CNC(=O)C2(B(O)O)CC2)C1	2247877292	FSZOCEQTOMSWFB-UHFFFAOYSA-N	244.075	-0.813	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(C)c(B(O)O)o1	2247890893	DGDVHCOISFMODD-SSDOTTSWSA-N	239.036	-0.496	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)C1CC(B(O)O)C1	2247902753	GZPXQKPJGVHOAO-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247970682	AHYZKVHOIDBWDI-XVKPBYJWSA-N	234.064	-0.104	50	10	BBGE	
C#CCN(CCF)C(=O)c1cocc1B(O)O	2249430256	ZUCFMEWKATZIPI-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H](F)[C@@H](F)C1	2249434116	VOQQORANWRQPDI-BQBZGAKWSA-N	244.990	-0.909	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H](F)[C@H](F)C1	2249434118	VOQQORANWRQPDI-RNFRBKRXSA-N	244.990	-0.909	50	10	BBGE	
CC12COC(COc3ccncc3B(O)O)(C1)C2	2254930658	AFPULZZKEUURQI-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
Cn1ncc(C(=O)Nc2ccccc2)c1B(O)O	2255458134	NFFFHNUAAOSJGS-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ncc(B(O)O)cn1	2255470471	DUAYCWCYIDURTQ-VIFPVBQESA-N	249.079	-0.829	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1c(C)cccc1B(O)O	2255509030	GNPLZIPSRSLAMI-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cncc(B(O)O)c1	2255515998	FRZUGORKZSJKLM-RKDXNWHRSA-N	248.091	-0.226	50	10	BBGE	
C=CCN(C(=O)c1cncc(B(O)O)c1)C1CC1	2255522074	FDWLJNHMNQQSKK-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)c2ccc(B(O)O)cc2)C1	2255529109	FFXWDDREEJOILH-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
Cn1cnc2cccc(NC(=O)C#CB(O)O)c21	2255669125	JURDTEAQNAESRA-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)c1ccccc1	2255687832	MSKPYCDVVDYMOA-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cccc(B(O)O)c1C	2255735698	YJBBLGGPVLGEDJ-SECBINFHSA-N	245.087	-0.184	50	10	BBGE	
C#C[C@@H](CC)NC(=O)Nc1ccccc1B(O)O	2255917871	MEEKTBUWQXHBFE-VIFPVBQESA-N	246.075	-0.100	50	10	BBGE	
CN(C)C[C@H]1CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165386	YPOUQNMHPNCHMF-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCO1	2298369519	XKAPFOUVYFGTFJ-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
CC(C)[C@H]1CNCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371252	FFFQXHRWUJSLST-OPRDCNLKSA-N	240.112	-0.694	50	10	BBGE	
C#C[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375226	AWTWDJBPCVVSAG-YWVKMMECSA-N	237.064	-0.900	50	10	BBGE	
CC[C@H]1CNCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375405	IPCVZCDOUDHZFK-QCLAVDOMSA-N	240.112	-0.646	50	10	BBGE	
O=C(O)CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298464060	OSMSQUXXIHXKRQ-XLPZGREQSA-N	241.052	-0.685	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1Nn1cccc1	2301346650	SWYXNRMMNJYEFS-UHFFFAOYSA-N	227.032	-0.085	50	10	BBGE	
O=C(CCN1CCCC1)N1CC[C@@H](B(O)O)C1	2303114099	JBWBFVXWKYHOBY-SNVBAGLBSA-N	240.112	-0.452	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)C12CCC2)C(=O)NN	2303409459	CFHPFMKCTLEXSU-KOLCDFICSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1c1ncno1	2307553717	NHVIOOHLLMZRGW-LURJTMIESA-N	239.235	-0.887	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3COCC[C@H]32)cc1B(O)O	2312612160	DVFMPJSMMTUOAO-PTRXPTGYSA-N	248.091	-0.483	50	10	BBGE	
O=Cc1ccc(N2CC3(F)CC2C3)cc1B(O)O	2317310654	CZHCTGSCMTZIHR-UHFFFAOYSA-N	249.050	-0.130	50	10	BBGE	
NNC(=O)CNCCCN1CCCC1	58854890	BMFIJMPUUVPGOI-UHFFFAOYSA-N	200.286	-0.948	50	10	BBGE	
CCCCN(CC(N)=O)C[C@@H](C)C(=O)NN	82469861	JJZOBWCGDHKFLK-MRVPVSSYSA-N	230.312	-0.800	50	10	BBGE	
COCCN(CC(=O)NN)[C@H](C)C1CC1	82470237	OZFLZAVUERAYTK-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC(C)n1c(S[C@H](C)C(=O)NN)n[nH]c1=O	82472666	MSJMEJFPKZBJGJ-RXMQYKEDSA-N	245.308	-0.377	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(C)(O)CC1	88023289	GASKQWFBWJFWJK-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@](C)(O)C1	157539306	YNVSZUAOPVKODL-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
NC(=S)NNC(=O)c1ccncc1O	163201674	PHXYXOJUJPXWEI-UHFFFAOYSA-N	212.234	-0.735	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)OC(C)(C)C1	164358025	MDAMDOPXTAUWBF-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H](CO)CC(=O)O	170312637	OFTGQXASAZVRBT-WDSKDSINSA-N	223.656	-0.187	50	10	BBGE	
CCN(c1cccc(B(O)O)c1)S(C)(=O)=O	203703076	URFQFUZLYBHDNB-UHFFFAOYSA-N	243.093	-0.848	50	10	BBGE	
CN(CCO)S(=O)(=O)CCCl	232296681	CUGPIEZOELYEKM-UHFFFAOYSA-N	201.675	-0.521	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)CC(C)(C)C(=O)NN	234357709	XAUJAPTZTSTABX-QMMMGPOBSA-N	244.339	-0.684	50	10	BBGE	
NNC(=O)CCCSc1nccnc1N	236232187	DSPXKOURFOPJIX-UHFFFAOYSA-N	227.293	-0.079	50	10	BBGE	
CC(=O)N[C@H](C(=O)NN)c1ccccc1	238136160	YJEXFFRDYHUEKR-VIFPVBQESA-N	207.233	-0.146	50	10	BBGE	
C[Si](C)(C)O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	238441174	BKVGDLRCZNMWCW-YWIQKCBGSA-N	222.313	-0.723	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CCC(=O)NN)C1	306947413	PNLUCZZCVAAIKC-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
OB(O)c1cc(-c2cnccn2)cs1	307061935	OPCLBMCJGAPCBH-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
OB(O)c1cc2c(O)c(O)ccc2s1	307452517	VZURVJJMULYVLM-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CNC(=O)/C(C#N)=C(\C=C/N(C)C)NC	379700631	HYCIYVXEZFJXTQ-UEPDSTOUSA-N	208.265	-0.195	50	10	BBGE	
Cc1nc(C)n(Cc2nc(C(=O)NN)co2)n1	386832655	SIVDEDQFFJJEJK-UHFFFAOYSA-N	236.235	-0.465	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)[C@H]1C[C@@H]1C	393743839	HOMMKIACDXIKLI-FXQIFTODSA-N	213.281	-0.083	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	395383383	UHIUAKWDYDHLEK-WCTZXXKLSA-N	227.264	-0.952	50	10	BBGE	
CCc1ccc(B(O)O)cc1CCC(=O)O	396060642	RUZOGLPGTUUFPC-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
OCc1cc2c(O)c(B(O)O)ccc2s1	396348189	UAQADDDTOJVFST-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](CCC(=O)NN)SCCC(N)=O	399183444	UNGUSXCNGJMFJK-ZCFIWIBFSA-N	219.310	-0.246	50	10	BBGE	
CCOC1(C)CN(C[C@H](C)C(=O)NN)C1	399914867	JPGVSTCXKYRRGJ-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(CCF)CC1	402779697	NELSYQPCILVXQD-SNVBAGLBSA-N	246.330	-0.268	50	10	BBGE	
C/C=C/C(=O)Nc1cccc(B(O)O)c1	405022199	XRKKZQDSAFDDKN-DUXPYHPUSA-N	205.022	-0.119	50	10	BBGE	
CC[S@](=O)Nc1ccccc1B(O)O	405108849	AZBXIDAOEMAQDV-AWEZNQCLSA-N	213.067	-0.538	50	10	BBGE	
C=CCNC(=O)N(C)Cc1ccccc1B(O)O	405161499	GQNAWDLDXPMUEK-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(CBr)N[C@H]1CCOC[C@@H]1O	575588944	KSUWFFNJYDDJMG-WDSKDSINSA-N	238.081	-0.353	50	10	BBGE	
C[C@H](CO)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	688395206	NKLGLCMRRVCCEU-YIZRAAEISA-N	217.313	-0.439	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@]12COC[C@H]1C2	689291570	ZXZWTJIGLFXQIE-BXKDBHETSA-N	241.335	-0.029	50	10	BBGE	
CCN(C[C@H](C)O)CC(C)(C)C(=O)NN	692169422	JSPHKCZCXBNRQQ-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1COC2	695048425	HTMZHSQTYABVPY-IMSYWVGJSA-N	227.308	-0.136	50	10	BBGE	
Cn1nnnc1CN1CCO[C@@H](CCl)C1	697853793	WFUZXOVVQNUZLT-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
OB(O)c1cnn(CCCOC2CCCC2)c1	699959887	OJCFROBINYIBCS-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
C[C@@H]1CCC[C@@H](S(=O)(=O)NCB(O)O)C1	701949852	JXYFLXDQXBPEGK-HTQZYQBOSA-N	235.114	-0.504	50	10	BBGE	
N#Cc1ccc(/C=C\C(=O)NCB(O)O)cc1	702031735	CFZCGFAVVSNORU-WAYWQWQTSA-N	230.032	-0.300	50	10	BBGE	
CCC[C@H](Sc1nnnn1CC)C(=O)NN	706551915	FUWWEPFCRZBZGV-LURJTMIESA-N	244.324	-0.056	50	10	BBGE	
CN(C)NC(=O)N[C@@H](CC(=O)O)C(F)F	725077761	RPFNMTSUVLWGNF-BYPYZUCNSA-N	225.195	-0.129	50	10	BBGE	
C/C=C/C(=O)NNC(=O)[C@@H]1COCCO1	744651996	BYBHIYOENRVGPL-AIYRYJHASA-N	214.221	-0.875	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)c1cnn[nH]1	751376263	XTLRZZDWUBGPLL-RQJHMYQMSA-N	235.247	-0.388	50	10	BBGE	
CS(=O)(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	844669019	GKCXTVYPMOPEOJ-FSDSQADBSA-N	234.277	-0.866	50	10	BBGE	
C[C@@H](N)CCNS(=O)(=O)CBr	850582544	RIJFMYFFZMIGFR-RXMQYKEDSA-N	245.142	-0.005	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1nnc(C)n1C	912676492	AMQSKZMLTMCRIY-IQXGSHKSSA-N	225.252	-0.496	50	10	BBGE	
CN(NC(=O)c1coc(C=O)c1)C(N)=O	1137626199	ZXQRJIFFXBPNNH-UHFFFAOYSA-N	211.177	-0.253	50	10	BBGE	
CN(NC(=O)c1nnn(C(C)(C)C)n1)C(N)=O	1328654205	XXQHZQZTQPZNPC-UHFFFAOYSA-N	241.255	-0.917	50	10	BBGE	
Nc1ccnn1CC(=O)NNc1ncccn1	1441051520	UDVNNJHJWBYWRC-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
CC[C@H](C(=O)NN(C)C(N)=O)[C@@H](C)O	1457736184	OWPMHXDDPLJNGF-RITPCOANSA-N	203.242	-0.565	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1cc[nH]n1	1557463625	LGSOXROULLTARP-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1ccc[n+]([O-])c1	1566762728	ROUROVQGIXQIPU-UHFFFAOYSA-N	238.247	-0.374	50	10	BBGE	
O=C(NNC(=O)c1ncon1)NOCC1CC1	1635618685	VLSOTDYOGXXYHN-UHFFFAOYSA-N	241.207	-0.645	50	10	BBGE	
C=C(CN1C[C@@H](F)[C@H](OC)C1)B(O)O	1877552656	NQDUAOWOGMYKCV-HTQZYQBOSA-N	203.022	-0.777	50	10	BBGE	
NC(=S)CN1CCN(C(=O)F)CC1	1882786552	BFEJADWIHIYEHK-UHFFFAOYSA-N	205.258	-0.020	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@H](O)[C@@H](O)C1	1885939687	WMADRDHNPJUFTK-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
N#C[C@@H](Cl)CN1CC([C@@H](O)CO)C1	1887273451	LBZDIUMULQLAFM-SFYZADRCSA-N	204.657	-0.598	50	10	BBGE	
CC[C@H](Cl)C(=O)NN(C)S(C)(=O)=O	1888564253	ZQZZEVOSRLVMDW-YFKPBYRVSA-N	228.701	-0.074	50	10	BBGE	
COC[C@H](C)COC[C@H](C)C(=O)NN	1888728641	WSEAZQQDXPCOFA-YUMQZZPRSA-N	204.270	-0.089	50	10	BBGE	
N[C@]1(C(=O)NC[C@@H]2C[C@H]2Cl)C[C@H](O)C1	1893109129	XHVHNKLYPJSCHH-XZMZPDFPSA-N	218.684	-0.418	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@@](C)(O)C2)C(=O)NN	1901323473	KQOZENVVBMYXHL-HJGDQZAQSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NN(C)S(=O)(=O)C2CC2)N1	1901348221	DWNJPJTVPIGDIO-XPUUQOCRSA-N	247.320	-0.808	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCC1[C@@H]2COC[C@@H]12	1902331141	OSASIYUIZCYUCO-XFFJFQIUSA-N	226.276	-0.479	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@]12C[C@H](CO1)C2	1902514929	ZKTFOIQAMVWJDJ-MRTMQBJTSA-N	225.053	-0.759	50	10	BBGE	
O=C1N[C@@H]2CCC[C@H]2N(C[C@@H](O)CCl)C1=O	1902678674	UGPLJKVZIINCOD-XLPZGREQSA-N	246.694	-0.534	50	10	BBGE	
CC[C@H](CN)Oc1cc(B(O)O)c(F)cn1	1903022692	DZDMAWUUSSSZLZ-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907269294	LKQYWSICEZFUAX-BIIVOSGPSA-N	249.261	-0.828	50	10	BBGE	
CN(CCCCl)S(=O)(=O)N1CC(O)C1	1914177895	WMPQNYFXQHDNER-UHFFFAOYSA-N	242.728	-0.532	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCOC1	1927913802	NFHUDBHIYZUSFE-DJLDLDEBSA-N	213.281	-0.667	50	10	BBGE	
O=S1(=O)CC[C@H](CN2CC[C@@H]2CCl)N1	1929727923	UXXIMKRHCCJSRA-HTQZYQBOSA-N	238.740	-0.009	50	10	BBGE	
OCC1CN(C[C@@H](O)CBr)C1	1929729717	QZAXKKKTMNEREH-ZETCQYMHSA-N	224.098	-0.334	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1OCC(=O)NN	1932289753	HLLKUAAVKMGOMM-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
COCCN(CC(F)(F)C(=O)NN)C1CC1	1935944214	KLOJSYFRONTKMW-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1936091203	LPIGAACAMGKFPF-LURQLKTLSA-N	225.292	-0.273	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094301	LXMGLGRFUZZMKA-GUBZILKMSA-N	227.308	-0.419	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1CCOC[C@@H]1Cl	1937147072	RWCFGPYMLZJPII-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)Cn1ccnn1	1937147458	UQVNKMABXXSBBF-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
COCC[C@H](CCl)NC(=O)Cn1cnnn1	1937160557	WWNWZKBVDCLZLI-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
C[C@H](CN1C[C@@H](O)[C@H](C2CC2)C1)C(=O)NN	1937462335	FKVOQTSHVALDKY-FKTZTGRPSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)CC2(CCC2)C1	1938366128	ZMQDSAKFJSVQSC-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]2OCC[C@@H]2C1	1938636684	PFQCXBDWXYIEBT-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
Cn1cc[nH]c(=NC[C@H]2COC[C@H]2Cl)c1=O	1939173404	RQHOHYSEBIBGHY-JGVFFNPUSA-N	243.694	-0.132	50	10	BBGE	
Cn1cc(C(=O)NC[C@H]2COC[C@@H]2Cl)nn1	1939173784	UPJNFKHNCGVDDF-BQBZGAKWSA-N	244.682	-0.201	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1941093816	TXVCVIRETUWAOG-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2nccc2C1	1941178733	SOPWZOQFAIILPH-JTQLQIEISA-N	237.307	-0.143	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3(CC3)CO2)O1	1944577127	RORLNZSEOWYVDN-IUCAKERBSA-N	241.291	-0.449	50	10	BBGE	
C[C@@H]1CCCN1c1ncccc1B(O)O	1961693711	CCQNGVJPJRRBAT-MRVPVSSYSA-N	206.054	-0.250	50	10	BBGE	
COCCSc1nc(C)ccc1B(O)O	1961709717	BAGJSDMUOXWOPK-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
O=C(CCl)N1CCNC(=O)C12CC2	1969697389	PUYQROOABFYIST-UHFFFAOYSA-N	202.641	-0.284	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2nnccc2C1	1977058978	ZIVOCXRNAKJSQC-SSDOTTSWSA-N	221.264	-0.787	50	10	BBGE	
CN(C)[C@@H]1CN(CCC(=O)NN)C(C)(C)C1	1977320041	UCVNIXZWWHHKTO-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1CCC(F)(F)C1	1981413744	KBKSCPJSPXUOTG-UHFFFAOYSA-N	228.995	-0.998	50	10	BBGE	
OB(O)c1cnccc1N1CC2(F)CC1C2	1981420863	RCYYWIWKXWGEJW-UHFFFAOYSA-N	222.028	-0.548	50	10	BBGE	
COC[C@@H](C)Oc1ccc(B(O)O)c(C)n1	1981424083	NVDFOPVSYOAWKF-SSDOTTSWSA-N	225.053	-0.516	50	10	BBGE	
COC(=O)NCCc1cccc(B(O)O)c1	1984070283	WNHGDTNNXSVGNB-UHFFFAOYSA-N	223.037	-0.735	50	10	BBGE	
C[C@@H]1[C@H](Cn2cc(B(O)O)ccc2=O)[C@@H]1C	1984100864	CJWZJXWGBHIORU-DIYOJNKTSA-N	221.065	-0.570	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](CCO)C(F)F	1984132011	MAVXLTLOEZBDCP-RQJHMYQMSA-N	239.266	-0.297	50	10	BBGE	
CN(CCC(=O)NN)[C@H](CCO)C(F)(F)F	1984132199	OAALFQKEPNFPLG-ZCFIWIBFSA-N	243.229	-0.389	50	10	BBGE	
Cc1ncccc1CN(C)C(=O)C(=O)NN	1987075241	CIKYRHIFMIUHNC-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)CC(=O)NN)[C@H]2C1	1988792446	KWIZTJRFZOXDNJ-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(O)(c2ccsc2)C1	1989950214	XGTIUDBWLGUSKU-ZETCQYMHSA-N	241.316	-0.370	50	10	BBGE	
CN1CCC[C@@H](C(=O)NCC=CB(O)O)C1	1991326311	FNBCIPLUEMLYDP-SECBINFHSA-N	226.085	-0.987	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ccccc1B(O)O	1992836189	KCBXTLHAHATNPX-MRVPVSSYSA-N	221.065	-0.105	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)N1CCC1	1998340909	VPNITFXKVQFHDP-UHFFFAOYSA-N	234.064	-0.718	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCNC[C@@H]1C	1999361563	MKOWTFDXLIPXBU-WCBMZHEXSA-N	242.323	-0.917	50	10	BBGE	
C[C@@H](CN1CCO[C@]2(CCOC2)C1)C(=O)NN	2002821796	DRWKRGLTAAOXIT-GXSJLCMTSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)CC12CC2	2003743273	BNVFIMAGZSGIPD-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)CC12CC2	2003755754	VMEZNYNJGAMYHS-LPEHRKFASA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)C(=O)N1CCC([C@H]2CCCO2)CC1	2004393338	KGEVWERBFJCVAJ-SECBINFHSA-N	241.291	-0.606	50	10	BBGE	
CCN(c1ncncc1B(O)O)[C@H](C)COC	2004914931	UCXJOPHJXLVENZ-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
Cc1ccnc(N2CCO[C@@H]3C[C@H]32)c1B(O)O	2004916302	KEPFCLLPHLTSQJ-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)[C@@H](C)[C@H]1C	2004921434	VZLZYWKBGNVSMU-VGMNWLOBSA-N	235.096	-0.363	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@@H]1CCOC1	2004930158	RPWAGBFKWDTCAN-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
CCCCOCCOc1ccc(B(O)O)cn1	2004951529	NFZBLICXHOZMJG-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
Cc1cc(N2C[C@H]3CC[C@@H]3C2)ncc1B(O)O	2005014036	FOQHURSJJLJMJT-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011131832	HUYJXMGQDCYMMM-DTHBNOIPSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)C[C@H](CO)CN1CC1(C(=O)NN)CC1	2012364596	RPAFHWZLQKKKIS-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCOC)C1COC1	2018181815	NHDTZEUNTJHEHS-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
COc1cc(C(=O)NCC=CB(O)O)ccn1	2020055660	DCRAKDNOMGQXHP-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
O=C(C[C@@H]1CCOC1)N[C@@H]1CCC=C1B(O)O	2020060503	BIPDUNKUGZZGGE-WCBMZHEXSA-N	239.080	-0.370	50	10	BBGE	
Cc1conc1C(=O)N[C@H]1CCC=C1B(O)O	2020061105	YXLGUSMCUFWMFL-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
CCCCN(O)C(=O)c1ccc(B(O)O)cc1	2022199566	GRTVRGPQADSJRN-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1Cc2cncnc2C1	2025622359	SREUKSZZLKRVEC-APPZFPTMSA-N	233.275	-0.582	50	10	BBGE	
Cc1nc(N2CC[C@]3(CCO3)C2)ccc1B(O)O	2052621159	COFYUYIMKRNFKM-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@@H]1CCCCO1	2055735891	JMSFAPWRSRAXOX-ZETCQYMHSA-N	248.051	-0.795	50	10	BBGE	
NNC(=O)c1ccc(Cn2cnccc2=O)cn1	2056634687	CORRTBBIWZJQNS-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2cncnc2)c1	2058408885	SEDFMNFTJDKDTN-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccncc1O	2076082611	VTSLPWJMVFMMJC-SECBINFHSA-N	248.047	-0.382	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)c1ccccc1B(O)O	2079009850	KYYAEGWDMRCWAA-MNOVXSKESA-N	249.075	-0.726	50	10	BBGE	
OB(O)c1ccc(NCc2nccs2)nc1	2212603425	FZFFZWYHSQZZNH-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC=CCC2)nc1	2212611558	BBLXKRDCFJBTDV-VIFPVBQESA-N	219.053	-0.323	50	10	BBGE	
C[C@H]1C[C@@H]1COc1nccc(B(O)O)c1F	2212612960	KXSQMPFZNACHQI-NKWVEPMBSA-N	225.028	-0.065	50	10	BBGE	
C[C@@]1(Nc2ncccc2B(O)O)CCOC1	2212615198	LFUMTHOSHPWXFX-SNVBAGLBSA-N	222.053	-0.648	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)CCC[C@@H]2C1	2213404953	JLECKOJKFZCKQY-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)[C@H]1CCN1Cc1cccc(B(O)O)c1	2214594864	IMGZUMAYCKDUCH-GFCCVEGCSA-N	233.076	-0.470	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)CCC23CC3)CC1	2214780586	NXKTWCRPNFXQQN-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)CCCC1=O	2215771882	KLSQXOFMCJEQIJ-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
C[C@H](CN(C)C[C@@H](F)[C@H]1CCOC1)C(=O)NN	2216382868	ASSOWGGHZBHYLZ-KXUCPTDWSA-N	247.314	-0.081	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](O)CC2)CCC1	2216531704	FRADDDRRCWQAMG-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C=C(CN1C[C@H]2CCO[C@]2(COC)C1)B(O)O	2217063798	ZQEMTUBLDUBCNZ-MNOVXSKESA-N	241.096	-0.708	50	10	BBGE	
CC[C@H](Oc1nccc(B(O)O)c1F)[C@H](C)N	2217187312	WFXLJFFPMZDQKM-XPUUQOCRSA-N	242.059	-0.595	50	10	BBGE	
C[C@H]1CCN[C@H]1CNc1cc(B(O)O)ccn1	2217201201	XCCLWQMOBMYPSF-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1cccnc1NCc1ccnnc1	2217202707	YZGOWWXXWRAEON-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CCn1ccc(=Nc2ncccc2B(O)O)[nH]1	2217204977	RNVQNIFUOPOJCV-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@]23CCOC3)cc1B(O)O	2223651812	FGMSYEKBMGEZMU-PWSUYJOCSA-N	248.091	-0.339	50	10	BBGE	
Cc1cnc(NC[C@@H]2CNC[C@H]2C)cc1B(O)O	2223654122	XEKSKTXWFAXHNY-SCZZXKLOSA-N	249.123	-0.663	50	10	BBGE	
N[C@@H]1CC[C@@H](CCNc2ncccc2B(O)O)C1	2223671886	BQQKYIGMNYRJIE-VHSXEESVSA-N	249.123	-0.309	50	10	BBGE	
CN1CC[C@@H](Nc2ncccc2B(O)O)C1(C)C	2223677720	RQIHINGMBUDRII-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
C#CCNS(=O)(=O)N1CC(Cl)C1	2241354635	ZKNUZFAADIZGFX-UHFFFAOYSA-N	208.670	-0.623	50	10	BBGE	
CCSc1nc(OC)ccc1B(O)O	2241392014	JPFKCYLFURWMGT-UHFFFAOYSA-N	213.067	-0.118	50	10	BBGE	
O=C(N[C@@H]1CCSC1)[C@H]1C[C@@H]1B(O)O	2241480691	NKXKIQVAIQPLBE-VQVTYTSYSA-N	215.083	-0.529	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccsc1B(O)O	2243358387	GGGMPGVXTOWROS-SSDOTTSWSA-N	235.073	-0.724	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2243364616	ZWYSDERMUZTWFO-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
C[C@H](CN(C)C(=O)C#CB(O)O)C(F)(F)F	2243398225	BZSCKALEFPHBHM-ZCFIWIBFSA-N	236.986	-0.341	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243401818	XEXWFJDJPGPNNB-RQJHMYQMSA-N	223.037	-0.512	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(F)(C2CC2)C1	2243404222	LBXFARRMBAJLFV-SFYZADRCSA-N	227.044	-0.190	50	10	BBGE	
CCN1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243414989	LZAWDQKFSMBOJL-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)sn1	2243415062	NKYFYQPWNHQSHC-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
CP(C)(=O)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2243420134	NDBLUOGKLKYAOJ-JGVFFNPUSA-N	247.040	-0.022	50	10	BBGE	
O=C(NCCc1ccno1)[C@H]1C[C@@H]1B(O)O	2243427196	RQEROAWFDNVKRK-YUMQZZPRSA-N	224.025	-0.804	50	10	BBGE	
CC#CC(=O)Nc1ccc(F)c(B(O)O)c1	2243674629	LVHLLJMSUCRPTG-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2COC[C@H]1C2	2244496300	AZOKQGDYTCNCLP-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
O=C(Nc1ncco1)c1coc(B(O)O)c1	2245941464	WIEZEJHZMZYKAN-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@H]1CCO1	2246185374	FNQAPDLXVKCFEW-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)C1(B(O)O)CCC1	2247723043	PSAYKXWDRGECJH-UHFFFAOYSA-N	237.068	-0.270	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccccc1CCO	2247737829	KPYGYMWOGXARJQ-UHFFFAOYSA-N	233.032	-0.825	50	10	BBGE	
CC(C)C1(NC(=O)c2ccc(B(O)O)o2)CC1	2247741736	FAGZYGKKHMMQBS-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247747440	NKQHVPVGNWXWBX-ZETCQYMHSA-N	236.080	-0.435	50	10	BBGE	
C[C@]1(C(F)F)CC(=O)N(C(=O)C#CB(O)O)C1	2247747550	PBMLYCYWKSZYIR-VIFPVBQESA-N	244.990	-0.968	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247747813	SMTZEQWTZNKERK-QMMMGPOBSA-N	236.080	-0.433	50	10	BBGE	
C[C@@]12CC[C@@](NC(=O)C3(B(O)O)CC3)(CO1)C2	2247755517	KCLHUHAKGKWQEO-UWVGGRQHSA-N	239.080	-0.179	50	10	BBGE	
C#CC1CC(NC(=O)c2sccc2B(O)O)C1	2247761717	WPEINHJADHHPKI-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
CCN(OC)C(=O)c1ncc(C)cc1B(O)O	2247786157	WSATYBFSFIEFNJ-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790061	FIORRPJHHAVOAA-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247790857	JYIUOJDNDKUCCG-BGZDPUMWSA-N	237.064	-0.223	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1C(=O)C1CC(B(O)O)C1	2247799554	FIORRPJHHAVOAA-XHHQTKHESA-N	240.112	-0.565	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C	2247809183	YDCALOXJMAFNAV-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CCC[C@H](CN)N1C(=O)[C@H]1C[C@@H]1B(O)O	2247809339	PEKXMADJBRAOQP-IMSYWVGJSA-N	240.112	-0.422	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC(C(F)(F)F)C1	2247846203	BRVDCAQAOKISJS-UHFFFAOYSA-N	248.997	-0.199	50	10	BBGE	
C=CCCNC(=O)c1cccc(C)c1B(O)O	2247853734	QOMWODVIYMQVPH-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](OC(F)F)C1	2247855751	XRPATQGLNWOVDM-QYNIQEEDSA-N	249.022	-0.311	50	10	BBGE	
CN(CCC1CNC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247860321	VITDVLWQMRBNFP-MGCOHNPYSA-N	240.112	-0.693	50	10	BBGE	
N#CC1(NC(=O)c2occc2B(O)O)CCC1	2247877378	AAAUEHXHBCAMIH-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
CCCN(C)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247886309	ALXLAKRKEKLWIN-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
CC1(CN)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247886892	HNRHQTVIZWJHTR-RKDXNWHRSA-N	240.112	-0.563	50	10	BBGE	
CC[C@H]1COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247892971	KKIZUBNACROJSD-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
O=C(Nc1cccc(CO)c1)[C@@H]1C[C@H]1B(O)O	2247897323	QURTXZDDKOQMLN-NXEZZACHSA-N	235.048	-0.020	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2249415535	FVFZNZQZUSWPSV-JTQLQIEISA-N	233.032	-0.899	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCN1	2249888668	SBKGZNGQDLYCQB-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ncc(B(O)O)cn1	2255470500	FEUDLLJSRGYIEA-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1occc1B(O)O	2255487612	RVVRZXIOPGIYTE-WCBMZHEXSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)cc1F	2255497622	DXNVXGKKZHKPIW-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2255520031	FLTCRXACFXRIFL-JTQLQIEISA-N	248.091	-0.224	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)NCCC2	2255671565	SWBRODFVXRLJLU-UHFFFAOYSA-N	244.059	-0.001	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1C	2255682051	AYXXAPWOFLJRQM-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
C=CCC1(NC(=O)c2cc(B(O)O)cn2C)CC1	2255730186	IJSDMTASQQTRKK-UHFFFAOYSA-N	248.091	-0.457	50	10	BBGE	
Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2255768882	JHNIAMJIHLHVQB-MNOVXSKESA-N	246.075	-0.026	50	10	BBGE	
C#C[C@@H](CC)NC(=O)Nc1cccc(B(O)O)c1	2255893585	SJDCYNALKTTYIK-JTQLQIEISA-N	246.075	-0.100	50	10	BBGE	
NC(=O)c1ccc(C(=O)NCC=CB(O)O)cc1	2256596389	YEOYDGVTBAKNLM-UHFFFAOYSA-N	248.047	-0.917	50	10	BBGE	
O=C(C=Cc1ccc(F)cc1)NCC#CB(O)O	2256637996	XYVCVXUVAVPKBU-UHFFFAOYSA-N	247.034	-0.030	50	10	BBGE	
C=CCCCC(=O)Nc1ncc(B(O)O)c(C)n1	2256679971	PIIYBSDVUWOXRL-UHFFFAOYSA-N	249.079	-0.240	50	10	BBGE	
C[C@@H]1CN(CCC[C@H]2C[C@H]2C(=O)NN)C[C@H]1O	2300381074	RNPHNJNLVCLHIH-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](C(=O)NCC=CB(O)O)CO2	2300482806	AXRHLYFGHRHGRJ-KKZNHRDASA-N	239.080	-0.514	50	10	BBGE	
O=C(CCc1cn[nH]c1)N1CC[C@@H](B(O)O)C1	2303114139	JGBHOUHYNLPDLA-SECBINFHSA-N	237.068	-0.582	50	10	BBGE	
CCN1CC(CNc2ncccc2B(O)O)C1	2303223595	CVAJXMCFXPHKQU-UHFFFAOYSA-N	235.096	-0.875	50	10	BBGE	
COc1ccc(CO)cc1O[C@H](C)C(=O)NN	2304557248	JKUFNSCKMYTEFG-SSDOTTSWSA-N	240.259	-0.055	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306283181	JRTVDRGJFRJIQL-MMWGEVLESA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1N[C@@H]2CC[C@H]1C2	2312612118	ABLIRUMNBWNNOJ-NGZCFLSTSA-N	248.091	-0.719	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C=CCOC1	2317209300	PYUIEYBQIJBKJE-NSHDSACASA-N	245.043	-0.428	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317351529	JXDQJROLJLJGTE-PRHODGIISA-N	249.075	-0.232	50	10	BBGE	
NC(=O)NNC(=O)c1ccccc1C(=O)O	16970611	IAPADUINMKICBQ-UHFFFAOYSA-N	223.188	-0.302	50	10	BBGE	
CC(=O)N/N=C/CCn1nc(O)ccc1=O	34620372	BFXNMQVWZHJPSV-BJMVGYQFSA-N	224.220	-0.539	50	10	BBGE	
Nc1nc2c(c(=O)n1N)CC[C@@H]2Br	39630559	MULFLBSRRJQJFG-BYPYZUCNSA-N	245.080	-0.079	50	10	BBGE	
COC[C@@H](Cl)CN(C)c1nnnn1C	71077063	HGLBWEJZBFSHSE-LURJTMIESA-N	219.676	-0.100	50	10	BBGE	
NNC(=O)c1cc(CSCCCO)on1	85164564	SKKGQXUORYONRH-UHFFFAOYSA-N	231.277	-0.106	50	10	BBGE	
NNC(=O)c1cc(CSC2COC2)on1	86196131	HBBUGUXOZIBLNH-UHFFFAOYSA-N	229.261	-0.090	50	10	BBGE	
NC1=C(O)N=C(O)N2CC(C=O)=CN=C12	105674537	MUXIYEMYGNLVKG-UHFFFAOYSA-N	208.177	-0.603	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@H](O)CCl)cc1[N+](=O)[O-]	163069839	YVJAKLLQJWAMKI-SCSAIBSYSA-N	249.610	-0.956	50	10	BBGE	
CSCC(=O)NNC(=O)c1cn(C)cn1	179418092	DUFQQEQMRDLBTM-UHFFFAOYSA-N	228.277	-0.456	50	10	BBGE	
CC[C@@H](NCCN)[Si](OC)(OC)OC	196801396	GVVNVWMBOHQMEV-QMMMGPOBSA-N	222.361	-0.269	50	10	BBGE	
C[C@H]1COCCN1Cc1ccccc1B(O)O	199008898	HEJWDDBADVQBKY-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1cc(C)cn1	199012302	GNROXVMLMIZHFS-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CCOCCOc1cc(F)cc(B(O)O)c1	211817149	YTWWIZJGCHAPME-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1	222775945	CHJQPQJBLNMRQZ-NTSWFWBYSA-N	202.210	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](C)C1	232420460	VVYHMILSAPUZHO-XHNCKOQMSA-N	215.297	-0.421	50	10	BBGE	
Cc1ncc(C(=O)NNC(N)=S)s1	235817633	ZPLAQFYNIILKRC-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
COC(=O)O/C=C(\C=N\NC(N)=O)OC	238325460	ZRLLFSWZDJSBOH-ISPHYHJQSA-N	217.181	-0.089	50	10	BBGE	
O=C(NNc1n[nH]c(=O)[nH]1)c1ccccc1	238611445	YPNALSPWDABVNV-UHFFFAOYSA-N	219.204	-0.145	50	10	BBGE	
O=C[C@@H](O)CNC(=O)CBr	238682236	VFWRYZPUWAJQRD-BYPYZUCNSA-N	210.027	-0.943	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](N(C)C)C1	251186231	BCPDAYSQSIYHHZ-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](N)C1(c2ccc3c(c2B(O)O)OCO3)CC1	258496841	ZFPJFGZDUPKTFA-SSDOTTSWSA-N	249.075	-0.526	50	10	BBGE	
C[C@H](Br)C(=O)NCc1nnn(C)n1	306829890	IIMLZWXVWOJEOG-BYPYZUCNSA-N	248.084	-0.390	50	10	BBGE	
CCN1C[C@H](NC(=O)CCl)CC1=O	306845306	IMZCGOBLWLKUOJ-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1ccc(=N)[nH]c1	381665835	VNPKOMLSWOQDGO-UHFFFAOYSA-N	222.248	-0.285	50	10	BBGE	
COc1cc(B(O)O)cc([C@H]2CCCNC2)n1	382640009	MBRNKDIYLLWGQB-QMMMGPOBSA-N	236.080	-0.763	50	10	BBGE	
NNC(=O)c1coc(COC[C@H]2CCOC2)n1	386948610	IKTBMJAEJZDYSK-ZETCQYMHSA-N	241.247	-0.169	50	10	BBGE	
COC(=O)[C@@H](C)N=c1[nH]c(CCl)nc(=N)[nH]1	390558265	JGTMXMSKQZPXLD-SCSAIBSYSA-N	245.670	-0.582	50	10	BBGE	
O=Cc1c(B(O)O)sc2cccc(CO)c12	396337025	NEOAHBGMOKJNIR-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1cc2c(B(O)O)cc(O)cc2s1	396352065	YFTMXPPGMWHREM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OB(O)c1ccccc1CNCC1=CCOCC1	585043873	VECGQMNDALKJSG-UHFFFAOYSA-N	247.103	-0.197	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccnnc2)CC1	692111694	FSVXGVBDMGYSIR-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
CNC(=O)CCN1CCC(O)(C#N)CC1	692121015	LBXXKWXWKOZGOW-UHFFFAOYSA-N	211.265	-0.527	50	10	BBGE	
C[C@@H](C(=O)N1CCC(O)(C#N)CC1)n1cncn1	692148319	LZCDMGXYQAZAIA-VIFPVBQESA-N	249.274	-0.284	50	10	BBGE	
Cc1ccnc(COc2cncc(B(O)O)c2)n1	692510403	ISJHYAOOPRCLFB-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N2CCCCC2)C1	697752104	WXIKFXIRMDLTAJ-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CC1)C(=O)C(=O)NN	698365704	MEVQPSMOLLOEPC-SFYZADRCSA-N	211.265	-0.519	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cccnn1	701794527	DEBRLRQCIFRSPO-ZCFIWIBFSA-N	243.650	-0.013	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1ncnn1C	707410687	CPPNOIZITIDJSP-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
C=CCOCn1nc(C)c(B(O)O)c1C	707474304	MPPTUXWXFOJCQR-UHFFFAOYSA-N	210.042	-0.660	50	10	BBGE	
COC1(C(F)(F)F)CN([C@@H](C)C(=O)NN)C1	724137981	ARBDOAIHTJJTKO-YFKPBYRVSA-N	241.213	-0.372	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3COC[C@@H]3O2)CC(=O)O1	724603816	JIEISSRPCGAUHL-CIUDSAMLSA-N	241.243	-0.824	50	10	BBGE	
C=CCOCC(=O)NNC(=O)Cc1ccccn1	729399285	SISBVEJRGVKFIO-UHFFFAOYSA-N	249.270	-0.026	50	10	BBGE	
CNC(=O)NNC(=O)COCC(F)F	858748798	ZISIBPTZNPNEBQ-UHFFFAOYSA-N	211.168	-0.772	50	10	BBGE	
CN1CCC[C@H](C(=O)NNc2cnccn2)C1=O	907477317	OAYDLQSZUDVSEP-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc2nc[nH]c12	1136379846	OOBYJFCLTBZDPK-UHFFFAOYSA-N	234.219	-0.468	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1153166767	FSSBQWPNXWUSQW-RTMURIBGSA-N	238.247	-0.584	50	10	BBGE	
OB(O)c1cscc1CN1C[C@@H](F)[C@H](F)C1	1231945943	LBJJSRHNJOGAKJ-RKDXNWHRSA-N	247.075	-0.080	50	10	BBGE	
CSCC[C@H](O)C(=O)NNC(C)=O	1290391646	JFOMTZULKUIMMQ-LURJTMIESA-N	206.267	-0.732	50	10	BBGE	
CNC(=O)NNC(=O)C1CCOCC1	1292009419	CCZFVTWCHPXZMR-UHFFFAOYSA-N	201.226	-0.627	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)c1ccnnc1	1299502605	QPVYOLYAMUHWSU-SSDOTTSWSA-N	238.247	-0.744	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cc2ncc[nH]2)cn1	1465304399	KCFLEWGGEDCISH-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)N(C)C	1583711579	FCHOXUQXPRINKC-SSDOTTSWSA-N	214.269	-0.617	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C(F)F)ncn1	1625506997	OISHVBLTTGBYRZ-UHFFFAOYSA-N	245.189	-0.012	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCc2nncn2C1	1628978600	METAOGPFGMFPME-ZETCQYMHSA-N	223.236	-0.992	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	1641424791	YLWVTTTXVDASNU-RNJXMRFFSA-N	212.249	-0.438	50	10	BBGE	
O=C(CCl)N1CCC[C@@H]1[C@H](O)CO	1882210787	WARRFFKLYKCGJG-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)C[C@H](O)C1	1882572573	PSMAOUOWJOWBSU-WDSKDSINSA-N	209.629	-0.253	50	10	BBGE	
C[C@@H](CCCl)C(=O)N=c1nnn(C)[nH]1	1885932653	PBBYSFFNNVPCBK-YFKPBYRVSA-N	217.660	-0.165	50	10	BBGE	
C[C@@H](O[C@H]1C[C@H](N(C)C)C1)C(=O)NN	1886161042	ZIZBJPSNULEBQA-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
CC[C@@H](CN(C)[C@H](C)C(=O)NN)OC	1887657060	JZCGJXQFDKSNPL-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NNC(N)=O	1889158141	BSNFLKMICYNAFF-YFKPBYRVSA-N	203.242	-0.111	50	10	BBGE	
C=C(CN(C)CCCCOC)B(O)O	1895239842	SCUUDFHZCCBQEE-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC1CC2(COC2)C1	1895987723	OCRODWHHZQCAHN-IONNQARKSA-N	226.276	-0.192	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COCC[C@@H]32)CC1	1896897421	VNPYRJZTXLPDKM-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
CC(C)CS(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902513773	TVUHMJMKMOBWNQ-SECBINFHSA-N	249.141	-0.089	50	10	BBGE	
C=CCCCN=c1cc(B(O)O)c(F)c[nH]1	1903005572	INKIVVXDMKNQRV-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1CCCC(=O)NN	1903308262	UELONWOURLJYMO-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1[C@H](C)CC(=O)NN	1903341013	BADDNVXDCFKCPQ-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccc(B(O)O)s1	1905066078	VTTJFWRPBCTIIQ-OLQVQODUSA-N	243.068	-0.342	50	10	BBGE	
CN(Cc1cn(C)cn1)C[C@@H]1C[C@H]1C(=O)NN	1905863858	RFZKOXMCTAUVOP-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
O=C1CN([C@H]2[C@H]3OCCC[C@@H]32)CC(=O)O1	1909914761	LABWNHRAACUOPB-DRTBCBBWSA-N	211.217	-0.451	50	10	BBGE	
CC(C)CNC(=O)Nc1ncccc1B(O)O	1913664377	SICJCGANPKVWDH-UHFFFAOYSA-N	237.068	-0.461	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)CCCl)C1	1915004216	ADXBDCABHQEPAQ-UHFFFAOYSA-N	226.685	-0.885	50	10	BBGE	
C[C@H](CCO)N(C)CC(F)(F)C(=O)NN	1916509978	BDIRLZUBJYTQBB-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
CN(C)NC(=O)NC[C@]1(C(=O)O)CCCO1	1923235954	QNEQRBVHNGKUNQ-VIFPVBQESA-N	231.252	-0.604	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926423568	YYIHTCHGFJOHTA-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CN1CC[C@H]([C@H]2CCCO2)C1	1932580864	AZPXTRFSBOUIBB-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
O=C(CCCl)NCCC[C@@H]1NC(=O)NC1=O	1937753697	UMUUTPFUCZDADX-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
CN1CCC(N(C)C[C@H]2C[C@H]2C(=O)NN)CC1	1941088380	PXSFIZHRHWTTPO-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
COCCOCCCOC[C@@H]1C[C@H]1C(=O)NN	1941093383	PTOODJHIVOWGEB-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
CO[C@H]1CCC[C@H](OCCOCC(=O)NN)C1	1941772184	FPFOYGGCFPRJCL-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCN(C)C[C@@H]2C1	1944029890	PYTYLIIEABBJMI-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)N1C	1945883107	UHDFWBUPEHRJKK-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)CC12CCC2	1949817177	KGIAZSRNFPYIMN-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@@H](O)[C@H](C)O	1954240578	VQCCCSLKRHKVFK-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H](C1)C2O	1957010729	XHATYXVBHMUCHG-DHBOJHSNSA-N	239.724	-0.132	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CCC(=O)NC1=O	1958794763	RXAXBBSGCXZYDY-WDSKDSINSA-N	232.667	-0.075	50	10	BBGE	
CNC(=O)OCCN=c1[nH]nc(CCl)o1	1958912164	IAOMTPTWUFQAGA-UHFFFAOYSA-N	234.643	-0.002	50	10	BBGE	
C[C@@H](CN1C(=O)C[C@@]12CCOC2)C(=O)NN	1976025056	VENRROJAMWYQDY-OIBJUYFYSA-N	227.264	-0.996	50	10	BBGE	
COCC[C@H](COC)N(C)[C@H](C)C(=O)NN	1979244159	RSGHBTDUNCQZSJ-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(O)(C(F)F)C1	1981254930	RNPOGHZGGIJYJB-WDSKDSINSA-N	237.250	-0.687	50	10	BBGE	
Cc1cc(-n2ccnc2C)ncc1B(O)O	1981466176	VAEJKPFQVMAFFA-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CSC1CN(c2ccc(B(O)O)c(C)n2)C1	1981469836	ZAHQQEUAPKRFIW-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
COC[C@@H]1CN(CCCC(=O)NN)C[C@@H]1C	1982497512	NWJJKCCQGCITOV-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985464194	JNZGCHGWNCDCFX-WLRJLXCNSA-N	227.308	-0.829	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cnc(C(=O)NN)s1	1985739616	FAFUTGJLMZAGPB-CAHLUQPWSA-N	242.304	-0.688	50	10	BBGE	
CN(CC1CC1)c1ncc(F)cc1B(O)O	1988001410	IKKFYKLYCBHWEB-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
NNC(=O)N1CCO[C@]2(CC[C@@H](O)CC2)C1	1988552868	NQMDKNSXQGOLID-WAAGHKOSSA-N	229.280	-0.424	50	10	BBGE	
C=C[C@@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	1990540133	PRMHQPHFCJOBAP-GXSJLCMTSA-N	227.308	-0.375	50	10	BBGE	
CC[C@]12C[C@@H]1CN(CC(=O)NNC(C)=O)C2	1990774568	KRHDFNSLAVTCJM-MWLCHTKSSA-N	225.292	-0.114	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@H]1[C@H](O)CO	1991684546	DYRKRCYKDWFDTB-RYPBNFRJSA-N	249.694	-0.806	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@@H](N2CC(O)C2)C1	1991693314	MFYQUIRLDRXBSL-SZEHBUNVSA-N	244.722	-0.109	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1	1992373782	LCNQRXZTSJJVPW-SPFKKGSWSA-N	225.292	-0.241	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1C[C@@H]2C[C@H]2C1	1998126356	RSBXKABSZABSMA-VMHSAVOQSA-N	241.052	-0.925	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCn1ccnc1	2003835339	PPKIPMXDJUDINJ-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
CC(C)[C@H]1CCCN1c1ncc(B(O)O)cn1	2004911284	FEWRGWSILGYSRP-SNVBAGLBSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]2C(F)(F)F)nc1	2004915874	FBIOATNWMNOZHK-SSDOTTSWSA-N	245.997	-0.098	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@@]3(C)C2)c1B(O)O	2004917938	GYJQGJMZNRQOHF-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
Cc1cnc(N2CC3CC(C3)C2)c(B(O)O)c1	2005018308	RJVKNQTXNIILRW-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]([C@H](C)O)C1	2005913307	QAHDDAAQSSKQJJ-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
Cc1nc(OC[C@H](C)N(C)C)ccc1B(O)O	2007001804	UJHIUJAIDBGDCR-QMMMGPOBSA-N	238.096	-0.601	50	10	BBGE	
Cc1nc(OCCCN(C)C)ccc1B(O)O	2007023256	KBUIIGWQXALGTM-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2[C@H](CO)C1	2007296655	YNTNVLVWWNGKGR-JTQLQIEISA-N	235.287	-0.432	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@H](CCO)O1	2009337523	MLWUGBIJVAQQMI-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H](F)C[C@@H](F)C1	2011406172	PRMDDGRMQJWMED-RNFRBKRXSA-N	243.022	-0.957	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC(CCF)C1	2014923708	BLRFHJYDHLJKQR-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
CC(C)[C@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	2019823743	HIIVJJUGNOYSMH-NKWVEPMBSA-N	246.072	-0.744	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@H]1C1CC1	2040767496	SHFFXUACOJOTKV-UWVGGRQHSA-N	246.075	-0.254	50	10	BBGE	
CCc1cc(B(O)O)c(C#N)cc1[N+](=O)[O-]	2060284223	ZVNXOPMUXPRALD-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCC[C@@H]3C2)nc1	2065200762	ZRDDINGYULOVSD-NXEZZACHSA-N	247.107	-0.217	50	10	BBGE	
CN1CCCC12CN(c1ccncc1B(O)O)C2	2066488249	YZCGHQULEIIYQZ-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)c(C)n1	2069481389	UUIZEAMTLMAHRS-HTQZYQBOSA-N	249.079	-0.551	50	10	BBGE	
COc1nc(N2[C@H]3CCC[C@@H]2C3)ncc1B(O)O	2077829331	NKZVZMRKQTYKAT-OCAPTIKFSA-N	249.079	-0.704	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@@H]2C1	2211719335	BGXYEZYCRFBPPT-ZXQWSVGNSA-N	245.706	-0.329	50	10	BBGE	
CC=C=CCCN=c1cc(B(O)O)cc[nH]1	2212600942	GMASXVJHCGALAA-UHFFFAOYSA-N	218.065	-0.284	50	10	BBGE	
C[C@@H](F)CCN=c1[nH]ccc(B(O)O)c1F	2212605941	MDQNCCHCEOGXME-ZCFIWIBFSA-N	230.023	-0.518	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2212606169	PPRPZAUXAKOJFS-BDAKNGLRSA-N	222.053	-0.980	50	10	BBGE	
CC[C@H](N)COc1nccc(B(O)O)c1F	2212609250	OWEXRCRRMKERSV-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1cc(B(O)O)ccn1	2212615420	ORWTUFHXHXAMQI-BDAKNGLRSA-N	222.053	-0.649	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@H](O)C[C@H]2C1	2213026151	CXVKTKQPZJYNMD-BIIVOSGPSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)C1(Cn2cc([N+](=O)[O-])cn2)CCC1	2216494142	TZRCIZOHQLBBED-UHFFFAOYSA-N	239.235	-0.049	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)[C@H](F)C2)CCCC1	2216881595	MDWNRDHCOHUHOQ-BDAKNGLRSA-N	245.298	-0.449	50	10	BBGE	
CC1(N)CCN(c2cc(B(O)O)ccn2)CC1	2217174926	APGXCVRBONBMMM-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)C1	2217183808	OHSVYMHISSZQTQ-KNVOCYPGSA-N	240.043	-0.510	50	10	BBGE	
CCC[C@@H](CCO)Nc1cc(B(O)O)ccn1	2217196328	FIXQBDKUWQTWFV-JTQLQIEISA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccc(=NCCc2nccs2)[nH]c1	2217197600	OLVJOECJULFAAP-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCNCC2)c1	2217199743	OVVPNDXCFIORFA-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCCN1	2220064585	OPVPGQASJXFEOT-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](O)[C@H]3C2)c1	2220065837	GIXMBHLHYMLQIU-DRZSPHRISA-N	247.103	-0.821	50	10	BBGE	
OB(O)c1cncc(OCC23COCC(C2)C3)c1	2220775113	NZUACBLBOMNNDO-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
CN[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CC1	2223639474	RKWOOFBLTYMADY-PHIMTYICSA-N	249.123	-0.296	50	10	BBGE	
CO[C@@H]1C=CCN(c2cc(B(O)O)c(C)cn2)C1	2223651496	XJRREBWZDNGPMU-SNVBAGLBSA-N	248.091	-0.539	50	10	BBGE	
Cc1cnc(NC[C@@H]2NCC[C@H]2C)cc1B(O)O	2223651749	YWHHDXOWEYKURR-KCJUWKMLSA-N	249.123	-0.520	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)c1cc(B(O)O)ccn1	2223675914	UHZJIQWLNQMDGQ-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(F)C1	2241474662	IIAWUYWRUVJCSJ-OLQVQODUSA-N	201.006	-0.580	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@@H](C)Br	2242436385	NWAFDRXOCCYQID-RITPCOANSA-N	240.097	-0.107	50	10	BBGE	
CCOC(=O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243365351	LGVHXBIZGMWGBS-ZCFIWIBFSA-N	229.041	-0.939	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243391616	MNTTUDVYWIFKIU-CIUDSAMLSA-N	228.101	-0.565	50	10	BBGE	
O=C(NCCc1ccns1)[C@@H]1C[C@@H]1B(O)O	2243396122	HWFQEKWOJDQDHH-SFYZADRCSA-N	240.093	-0.335	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(F)CC1C2	2243396167	IOGUFUCHXVMLET-UHFFFAOYSA-N	227.044	-0.048	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NC(=O)C1CC(B(O)O)C1	2243397146	WKLVCUYXVSLGQY-QVBNJRIBSA-N	247.125	-0.877	50	10	BBGE	
C=C(CO)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243397339	ZEJJAWDTCYKNHM-KYZUINATSA-N	227.069	-0.706	50	10	BBGE	
CC(C)S(=O)(=NC(=O)C#CB(O)O)C(C)C	2243401216	OAAZQVUKYUCBQJ-UHFFFAOYSA-N	245.109	-0.187	50	10	BBGE	
C=CCC[C@H](C)NS(=O)(=O)CC(=C)B(O)O	2243411847	BFLVYISSUYTPFM-VIFPVBQESA-N	247.125	-0.171	50	10	BBGE	
CC#CC(=O)Nc1nc(B(O)O)ccc1Cl	2243679482	YOUFQJRPFSDTOK-UHFFFAOYSA-N	238.439	-0.623	50	10	BBGE	
C=C1CC(C(=O)Nc2ncc(B(O)O)s2)C1	2243686475	NADOMCHKQAUEDJ-UHFFFAOYSA-N	238.077	-0.272	50	10	BBGE	
COC[C@@H](C)COc1cc(B(O)O)cnc1C	2246737971	CHJJCVOACZTUCT-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)[C@H]1C[C@H]1C	2247738491	QZEVMBPRXAEBBP-FJXKBIBVSA-N	236.080	-0.531	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ccc(B(O)O)o2)C1	2247739790	BLGVRXIFWXLCSK-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
Cc1cccc(C(=O)NCC(F)F)c1B(O)O	2247752200	KPHLWTIPRHLNKY-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1occc1B(O)O	2247754350	FWQVZXMSTWMWST-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@@H]1CO	2247787800	VBJHVBNWDPIFAN-CIQUZCHMSA-N	239.080	-0.921	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCNC1	2247790008	DUZPOPKREKGMKP-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
COC[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796643	BPKVRZYULWTKHN-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
O=C(NCCC1(O)CCC1)[C@H]1C[C@H](B(O)O)C1	2247806517	FQNIXXMNGMNOLX-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(C1CC1)C1CNC1	2247808411	UXNSGQQRRNLFBE-ZKCHVHJHSA-N	238.096	-0.798	50	10	BBGE	
CNCC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247810413	XFFGDQHGIHIUSB-UWVGGRQHSA-N	240.112	-0.693	50	10	BBGE	
Cc1c(NC(=O)C#CB(O)O)cnn1C1CC1	2247847406	WQTGXOKKQKAJPN-UHFFFAOYSA-N	233.036	-0.520	50	10	BBGE	
C[C@@H]1c2cccn2CCN1C(=O)C#CB(O)O	2247850602	QLIHAZDAAGGIGG-SECBINFHSA-N	232.048	-0.593	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247855774	YAPLUJFLOOMCFC-AXTSPUMRSA-N	241.096	-0.533	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2247866097	GLLFWWIUCYRWJP-QMMMGPOBSA-N	234.064	-0.757	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)OC1	2247887639	QHBIXKPNOPLCDV-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(CCNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248573481	FKXUSRSVULWQAW-NKWVEPMBSA-N	243.068	-0.534	50	10	BBGE	
CC(C)[C@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575245	AAEPVCAJPCCJKR-ZETCQYMHSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2cocc2B(O)O)C1	2249416921	YRXLPAVGGQQHJK-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC=CCC1	2255457800	JBMICBXUUIELLM-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ncncc1B(O)O	2255501998	OWQJYXGJVUJOBI-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255520597	MJOBFMVFHPRBKP-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1n[nH]cc1B(O)O	2255546876	ASWVFNXYTKKSCO-UHFFFAOYSA-N	247.063	-0.928	50	10	BBGE	
Cc1cc(C(=O)NN2CCC2)cc(C)c1B(O)O	2255557033	YTIPUICBBHRXAL-UHFFFAOYSA-N	248.091	-0.666	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2255572875	DCMIJOSCMCKPOU-VIFPVBQESA-N	249.075	-0.084	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC2(CCC2)C1	2255692185	UGAFNOJDENJDQI-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)cn1)C2	2255710415	KHBDHCSMKPTPCJ-PELKAZGASA-N	246.075	-0.757	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@@H]1C2	2255764254	ZABWBGYYYPIBKC-MVKOHCKWSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCc1ccnn1C1CC1)[C@H]1C[C@H]1B(O)O	2255765214	MUJKDBNJRXLBPK-VHSXEESVSA-N	249.079	-0.303	50	10	BBGE	
C=C(CC)CNC(=O)c1ccc(B(O)O)cc1O	2255955674	RNDLSLFOXOMXNJ-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
CC1=CCN(C(=O)c2ncc(B(O)O)cc2C)C1	2257491460	NBHHIUGUEFUJMQ-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cocc1B(O)O	2258123365	NUUQAMXEEFGWDX-JKKWTZJKSA-N	247.059	-0.656	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)co1	2258128903	RIGPQZUNIOEKEI-CBAPKCEASA-N	248.047	-0.619	50	10	BBGE	
O=C(CCc1ccncc1)NCCC#CB(O)O	2258953323	BINIABHUWKLYJV-UHFFFAOYSA-N	246.075	-0.464	50	10	BBGE	
O=C(NCCC[C@H]1CCCN1)[C@H]1C[C@H]1B(O)O	2298370112	PECAAJMEBKTFRB-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@@H]1B(O)O	2298375236	BESDLIBHNNFRQD-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H](CO)C1CCC1)[C@@H]1C[C@H]1B(O)O	2298376838	RSASQGHJHABFND-IVZWLZJFSA-N	241.096	-0.626	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298377152	GLSJMQRVMAFHPA-LOLPMWEVSA-N	239.080	-0.515	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COCCOCC(=O)NN	2299037309	IFDMZTUWQRTSBY-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
Cn1ccn(CCC[C@@H]2C[C@@H]2C(=O)NN)c1=O	2300383794	NGPNBSGNQDXBTH-BDAKNGLRSA-N	238.291	-0.407	50	10	BBGE	
C#CCCOC(=O)Nc1cccc(B(O)O)c1	2300781647	JRIVQXFUOXYHRL-UHFFFAOYSA-N	233.032	-0.062	50	10	BBGE	
C[C@@H](N)[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301422515	IHZWTUIMVSFINX-HTQZYQBOSA-N	236.080	-0.674	50	10	BBGE	
CN[C@H]1CCCN(CC(=O)NNC(C)=O)CC1	2301843991	NGRXJTLCJSVBPD-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
CCCN(CC(N)=O)C[C@@](C)(CC)C(=O)NN	2303419898	LDDNGEAYUKRPDS-LLVKDONJSA-N	244.339	-0.410	50	10	BBGE	
CC[C@](C)(CN(C)[C@H]1CCNC1=O)C(=O)NN	2303421662	WJSXTEGMZYBVCB-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
C#CC(C)(C)N(C)c1cc(B(O)O)c(F)cn1	2303835798	CBBWGEVFIIVTGQ-UHFFFAOYSA-N	236.055	-0.252	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1ccoc1B(O)O	2307173084	VNNAPJLIBXDJKY-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2C=C[C@@H]1C2	2311430633	HODWOKGVBQVMFV-JOYOIKCWSA-N	243.071	-0.233	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H](O)C1	2317160594	FWZDVUIXPYFUGZ-WDEREUQCSA-N	246.075	-0.437	50	10	BBGE	
Cn1cnc2c1c(=O)n(CCCl)c(=O)n2C	15865844	SSWYCUYMUOCTGP-UHFFFAOYSA-N	242.666	-0.328	50	10	BBGE	
NNC(=O)CCCCN1CCOC1=O	82471325	VDQOCUWNXSKPNW-UHFFFAOYSA-N	201.226	-0.401	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCN(C)C(=O)C1	82774993	PUBHKNXAWQDKQO-LURJTMIESA-N	247.682	-0.376	50	10	BBGE	
NNC(=O)CCn1ccn(C2CC2)c1=O	87667125	INXBGHWBSNDIRT-UHFFFAOYSA-N	210.237	-0.635	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC[C@@H]2CCOC2)O1	110566896	ZKBJCHPAMBYCKP-OPRDCNLKSA-N	244.291	-0.423	50	10	BBGE	
NNC(=O)c1ccc(/C=C\C(=O)NO)cc1	115625519	JDCGMEUTAWDVDU-UTCJRWHESA-N	221.216	-0.191	50	10	BBGE	
CN[C@H]1CCN(CC(=O)NNc2ccccn2)C1	129084349	FQMUQUGOHWHJKX-JTQLQIEISA-N	249.318	-0.182	50	10	BBGE	
CC[C@H](CC(=O)OC)NC(=O)NCN=C=O	170294198	OYJBGQGLKWVCLE-SSDOTTSWSA-N	229.236	-0.079	50	10	BBGE	
OB(O)c1ncnc2nc(C(F)(F)F)ccc12	196219100	WNNIIPROIIJMPM-UHFFFAOYSA-N	242.953	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(C)(O)CC1	211783205	PUEDBVGFTBSFEZ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C(CCl)NC(=O)NCc1ncon1	231838068	GLMWZAYGMYWZJD-UHFFFAOYSA-N	218.600	-0.366	50	10	BBGE	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)C(F)F	236140103	AHLVEHIPXQKTIB-IMJSIDKUSA-N	247.650	-0.228	50	10	BBGE	
CC1=C(C(N)=O)C[C@@H]2C(=O)OC(=O)[C@@H]2C1	238189861	PQMCKFYYTMYKFT-RQJHMYQMSA-N	209.201	-0.102	50	10	BBGE	
C[C@@H](CN1CCCC[C@H]1CO)C(=O)NN	251096375	LPVGQFUUJYSWNZ-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CN1C(=O)COc2ccc(CCC(=O)NN)cc21	258932801	BCASSLOWSKBDOB-UHFFFAOYSA-N	249.270	-0.036	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1ccc(F)cc1	259010234	HOPPIHKUWPNJNA-SECBINFHSA-N	211.240	-0.054	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)N(C)C(=O)CO2	259026406	QONJSPOHJSAJGW-UHFFFAOYSA-N	235.243	-0.094	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CC(=O)N(C)C1	309488549	XQVYRGGQZGHSAM-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@@H]1CCOC1	379506519	QQTMINSNIHCNJV-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
N[C@H](Cc1cccc(C(=O)O)c1)B(O)O	382674578	LBNMGNFFOAIEBW-MRVPVSSYSA-N	209.010	-0.733	50	10	BBGE	
COC(OC)[C@@H](O)C(C)=NNC(N)=O	383917879	GJZSWTLFJXOFEU-YFKPBYRVSA-N	205.214	-0.990	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CCC(=O)NN	385716284	RPFPJPRIDKWRIT-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1CCC(=O)O	396093954	DEBRJWGDTIFKOA-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(CCO)CC1	400962384	JECMJGQRIKTGJA-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(CCO)CC1	401037897	ZOECSQBZELODMB-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2CCOC2)c(B(O)O)c1	404962217	DFTLOAQNGWTQKP-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
O=C(CCl)NCCN1C(=O)CCCC1=O	405455661	XZPINVWPXXSPLN-UHFFFAOYSA-N	232.667	-0.120	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](NC(=O)Cl)C1	575467557	AFCXXCCTWGCBCQ-RXMQYKEDSA-N	226.685	-0.031	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)cc2)COC1	584945222	PNDRFHVFAMWIFU-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)CBr	642870907	OEVIWMYAQSWNRM-RXMQYKEDSA-N	242.094	-0.748	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)C[C@@H]1CO	687625422	WEIUERFGOHNVFL-RKDXNWHRSA-N	217.700	-0.274	50	10	BBGE	
N#CC1(O)CCN(CCC[C@@H](O)CO)CC1	692167109	KVMGEVCAWASJDA-SNVBAGLBSA-N	228.292	-0.530	50	10	BBGE	
CCOCCCC(=O)NNC(N)=S	700852287	BGCJWFYNNGMFEM-UHFFFAOYSA-N	205.283	-0.333	50	10	BBGE	
CCO[C@@H](CO[C@@H](COC)C(=O)NN)C1CC1	703564710	YTCYPFGBIDQYET-UWVGGRQHSA-N	246.307	-0.177	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@@H](C)OC)C(C)C	708298788	UTAJQODUHZSUMZ-NXEZZACHSA-N	247.339	-0.263	50	10	BBGE	
O=C(CCl)N1CCC[C@H](CO)[C@@H]1CO	709858970	HLIZYANFCMZLQH-SFYZADRCSA-N	221.684	-0.183	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COCC[C@@H]2Cl)n1	710869951	KDYOQCJDKWSXDQ-POYBYMJQSA-N	244.682	-0.059	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOc2cccnc2C1	716437718	HIPSPOJKDPVBPU-MRVPVSSYSA-N	236.275	-0.346	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)c1cccnc1	753444817	QLAIJMKWOQFKOT-QMMMGPOBSA-N	237.259	-0.285	50	10	BBGE	
COCCCC=NNC(=O)[C@H]1COCCO1	777439418	SSUINNPSWFKMQV-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)[C@H]1CCCO1)C(C)C	817215936	BNQUJWMNRFRLEV-RKDXNWHRSA-N	244.291	-0.016	50	10	BBGE	
CNNC(=O)Nc1cnn(CCOC)c1	857763946	BMHBWYIWEPSVLR-UHFFFAOYSA-N	213.241	-0.215	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(C=O)n1C	1142342792	JGOKCICBLPMYAV-UHFFFAOYSA-N	238.247	-0.199	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N[C@@H](C#N)CO)cn1	1157964073	SOLXGVNWENGVKD-HDQHCQLZSA-N	245.242	-0.672	50	10	BBGE	
CCOC(=O)CS(=O)(=O)N1CC(Cl)C1	1195956691	HBBOEVHIFRHHMU-UHFFFAOYSA-N	241.696	-0.198	50	10	BBGE	
CN(NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(N)=O	1261736646	QGVKHGRZFXKEFR-ZCFIWIBFSA-N	237.263	-0.444	50	10	BBGE	
CC[C@H](F)C(=O)NNC(=O)c1cnn[nH]1	1293054153	ZDVISUDGEOLKQK-BYPYZUCNSA-N	215.188	-0.686	50	10	BBGE	
Cc1cc(NNC(=O)c2nc[nH]n2)ncn1	1320225184	CVUPHVZXMROMQU-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
C#CCCNC(=O)c1cccc(B(O)O)c1	1443975093	YMZDPWXKLALSFM-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
CC(=O)NNC(=O)c1c(N)cccc1[N+](=O)[O-]	1539517594	BYVXHWJGFSPHHM-UHFFFAOYSA-N	238.203	-0.042	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)c1ccccc1	1540323164	PDLDYWXDKHZTAL-UHFFFAOYSA-N	235.243	-0.287	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H](C)CC(N)=O	1542404775	VGKXWQVICUWPJR-ZCFIWIBFSA-N	230.268	-0.762	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)ccc1F	1632801189	YJOSBEYPTGWMHI-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C/C(=C\C(=O)NN(C)C(N)=O)c1cnccn1	1636583258	HZVNXKREPBVGIP-FNORWQNLSA-N	235.247	-0.078	50	10	BBGE	
COC(=O)C[C@@H](N)C(=O)NC[C@@H](C)Cl	1865967682	FHEASKLROAVVBO-PHDIDXHHSA-N	222.672	-0.380	50	10	BBGE	
NC[C@H](O)C(=O)NC[C@@H]1C[C@H]1Br	1877361530	LMZCPXIUDQEKLM-JKUQZMGJSA-N	237.097	-0.794	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)c1nc[nH]n1	1882166666	VMWKPGXVIXEGFV-SCSAIBSYSA-N	224.673	-0.290	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C[C@H](O)CCl	1882314801	DZGZNWCRGCGPBJ-RNFRBKRXSA-N	206.673	-0.594	50	10	BBGE	
O[C@@H]1CN(CCCCl)[C@H](CF)[C@H]1O	1884173058	RCCFWFIKKAPJNN-BWZBUEFSSA-N	211.664	-0.009	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@@H]1NC(=O)F	1884249815	OKDJZSGZUKCIIP-WHFBIAKZSA-N	211.214	-0.523	50	10	BBGE	
CO[C@@H]1COC[C@@H]1n1nnnc1CCl	1884865320	HBEOXENKODQTMD-NTSWFWBYSA-N	218.644	-0.002	50	10	BBGE	
O[C@H]1CCN(CCOCCCl)C[C@@H]1O	1887705859	ZVSHUGITUNPCDX-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
COC[C@@H](C)COC[C@H](C)C(=O)NN	1888728640	WSEAZQQDXPCOFA-SFYZADRCSA-N	204.270	-0.089	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)C[C@@H](C)C1=O	1893837495	BPBCZTKNEJWOPO-RITPCOANSA-N	213.237	-0.850	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1C=CCN1	1896460060	HBEXCCWYSKGWFR-KGGZQZJCSA-N	214.652	-0.048	50	10	BBGE	
C[C@@H](N)CSC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896929071	MQWHWGBMHWTAOF-VGMNWLOBSA-N	247.364	-0.006	50	10	BBGE	
C[C@H](CO)Sc1ccc(C=O)c(B(O)O)c1	1901275707	KWAPXADUQHHJGU-SSDOTTSWSA-N	240.089	-0.348	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@H]1CN)S(C)(=O)=O	1901372853	CNLLPJIFAFGUSU-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@@H]1CNC(C)(C)C1)S(C)(=O)=O	1901376136	WNLPKFDCMKVOPS-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H]1CN(CCC(F)(F)C(=O)NN)C[C@@H]1O	1902154899	ZQJCBZDDNBPZOU-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2csnn2)C1	1902518397	SDCGHTKRPOEHSB-QMMMGPOBSA-N	241.081	-0.383	50	10	BBGE	
C#CC[C@H](C)Oc1cc(B(O)O)c(F)cn1	1903021545	USJPSMSHPAZNHZ-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)N[C@@H](CB(O)O)C(=O)O)C[C@H]12	1905980598	PUMBMXBIMQAGJB-JQCUSGDOSA-N	241.052	-0.925	50	10	BBGE	
Cc1cnn(-c2ccc(B(O)O)cc2C#N)c1	1907411450	WVZRCYREJGKUOW-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@]3(CO)C2)CC1	1910379604	SCWKCXOITYNIOS-JOYOIKCWSA-N	239.319	-0.539	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(C)(C(N)=O)C1	1914188148	BDIPQYYBZVTEIR-MRVPVSSYSA-N	242.323	-0.802	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC23CNC3)CC1	1914732010	BWHIHXLZDDHZBP-VIFPVBQESA-N	235.287	-0.527	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1(CO)CCC1	1915004603	JGOHFLFERISFGM-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915524615	OTYWTJLFKAWABW-SSDOTTSWSA-N	230.312	-0.803	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917086392	HJXLZWLXJQGSDV-WCBMZHEXSA-N	233.287	-0.449	50	10	BBGE	
O=C(NNCCO)N1C[C@@H]2CCC[C@H]2C1	1929830920	SGQXBLUTWQEOQA-IUCAKERBSA-N	213.281	-0.075	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@H]2CCCC[C@H]21	1930429942	ODWGSXNPDQLIES-JIGDXULJSA-N	211.265	-0.471	50	10	BBGE	
C[C@@]1(CCl)CN(C2CS(=O)(=O)C2)C1=O	1931729183	CRPVGSINFCNSFF-MRVPVSSYSA-N	237.708	-0.129	50	10	BBGE	
C#CC1CCN(CC(=O)NNC(C)=O)CC1	1936513300	HJKHQDZPHNYVEP-UHFFFAOYSA-N	223.276	-0.501	50	10	BBGE	
CN1C[C@H]2CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@H]2C1	1941085424	LVIWCCWUEAUMAC-MMWGEVLESA-N	238.335	-0.894	50	10	BBGE	
CC(C)(C)N(CCCO)CCOCC(=O)NN	1941771894	AVXXSZYUBINZSL-UHFFFAOYSA-N	247.339	-0.524	50	10	BBGE	
CCOCCCOC[C@H]1CC[C@H](C(=O)NN)O1	1944134354	JUIGJLFUSYFWQP-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
O=C(NNCCO)c1cnc2ccccc2n1	1944215994	PMGMILVPLGQIOQ-UHFFFAOYSA-N	232.243	-0.144	50	10	BBGE	
Cc1ccc(NC(=O)C(=O)NNCCO)cc1	1944216383	VIVABUOTIICVAB-UHFFFAOYSA-N	237.259	-0.453	50	10	BBGE	
CO[C@H]1CN(CCOCC(=O)NN)CC1(C)C	1944736617	PCDTXHOOIBTCKA-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnnn1CC	1950437757	CMWBDAGKVMMHQI-SECBINFHSA-N	240.311	-0.502	50	10	BBGE	
NNC(=O)CCCN1CCO[C@H](CF)C1	1961591466	BMHQIHYOSOTDBL-MRVPVSSYSA-N	219.260	-0.573	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]1C	1961718753	SRTUWORRSHHMGB-MRVPVSSYSA-N	206.054	-0.332	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@@H](CCO)C1	1979207292	XYFVWQIEWVPGEG-AEJSXWLSSA-N	227.308	-0.683	50	10	BBGE	
COCCCOc1ncc(Cl)cc1B(O)O	1981423392	CXIGUNQRMUNCDZ-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H]1CF	1986085378	VMZWIOJAXBIMHS-SNVBAGLBSA-N	223.056	-0.090	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCCc2nccn21	1986970836	PXNOFQCBFYKWIF-ZCFIWIBFSA-N	239.304	-0.375	50	10	BBGE	
CC[C@@H](CN(C)[C@@H](COC)C(=O)NN)OC	1987959754	XIBGOAZWSWBRNA-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CC(C)(O)[C@H]1CCN1CC(F)(F)C(=O)NN	1989116534	GDRRPYNZGMTLNY-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
O=C1CN(C[C@]23CCOC[C@H]2C3)CC(=O)O1	1990414620	JUKGFIZCPAKWTB-LDYMZIIASA-N	225.244	-0.202	50	10	BBGE	
C[C@H]1CCCCN1C(=O)NCC#CB(O)O	1995269298	XYAVOAILCWRUIG-VIFPVBQESA-N	224.069	-0.414	50	10	BBGE	
CCc1noc(CN(C)[C@H](C)CC(=O)NN)n1	1997741054	WKSQGEKICNIUGX-SSDOTTSWSA-N	241.295	-0.168	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C[C@H](OC)C1	2000969240	WUNOJZCEGWPZAD-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1ncccc1B(O)O	2004934104	BVIAHWBZPXHDNZ-VIFPVBQESA-N	232.092	-0.002	50	10	BBGE	
COC1CCN(c2ccncc2B(O)O)CC1	2004934445	FEGVAFKYFHDPLC-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@H]32)n1	2005014828	RGIDYBPXHACNMK-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@]1(O)CCOC1	2013283467	BHWWVOLWHCIBGM-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(CCO)C1	2014778365	CMSNCJHDBYXAGH-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
CCN(CC(F)F)c1ncc(F)cc1B(O)O	2014930628	XHZJCLPYBRWAFX-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
CCCCC(=O)Nc1ncc(B(O)O)c(C)n1	2015731082	UZLBKGNYRLSOAW-UHFFFAOYSA-N	237.068	-0.406	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)NC[C@@H]1C	2015992381	GBEBBPLSYDYZAV-QMMMGPOBSA-N	242.323	-0.774	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2017284805	BZVWQMPVACJOII-ULAWRXDQSA-N	249.261	-0.566	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1ccccc1B(O)O	2022197220	ZKRUPSZPRDUDSL-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2022429997	ZDGIZKHDBPHBTH-FXQIFTODSA-N	243.068	-0.679	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@]1(C)COC	2024856459	VWPCDFGIFIESFI-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	2026297963	SNZARJNGAFHWRC-NXEZZACHSA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2COC[C@@H]21	2052492082	PVVCPAPUZHRJEB-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
Cn1cnnc1S(=O)(=O)CCCl	2209062669	MGVPLJKSSGGHOI-UHFFFAOYSA-N	209.658	-0.172	50	10	BBGE	
CN(CCCO)Cc1cccc(B(O)O)c1	2211132200	JPLJIMYKHBECCB-UHFFFAOYSA-N	223.081	-0.819	50	10	BBGE	
CC(C)N(CCO)C[C@H]1CC[C@@H]1C(=O)NN	2211827929	QGSZGWDYKTXYGH-ZJUUUORDSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(Cl)cc1CO	2212503588	BDYDMVSGJQJWEJ-UHFFFAOYSA-N	243.650	-0.239	50	10	BBGE	
Cc1cnc(O[C@@H](C)CCN)cc1B(O)O	2212606582	WKUJWIWCBOCGHY-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
OB(O)c1ccnc(NCc2csnn2)c1	2212610393	IBNUYKSGXIIXIU-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@@H]1CC[C@H]1C(=O)NN	2215770295	ATRUDENBESPVTA-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CC1(C(=O)NN)CCCC1	2216883922	PDFVGQVPVWIZSF-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](COC)Oc1cnc(C)c(B(O)O)c1	2217101413	JCVQTECPWYWAQB-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CC[C@](C)(CN)N(C)c1ncccc1B(O)O	2217179521	LTCUUWRZQDXLQH-LLVKDONJSA-N	237.112	-0.675	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)C[C@@H]1F	2217180299	GQCCHAGNPBKPJA-SVRRBLITSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H]1C[C@H]1NCCOc1ccc(B(O)O)cn1	2217182746	CKBKTTXWIGNDBB-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
CC1([C@@H](N)COc2ncccc2B(O)O)CC1	2217183140	GHNGHSWSXGWESD-VIFPVBQESA-N	236.080	-0.732	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)CC[C@H](N)C1	2217184008	PMLONZPHCYFJPD-ONGXEEELSA-N	236.080	-0.590	50	10	BBGE	
CC(C)NC[C@H](C)Oc1cc(B(O)O)ccn1	2217191578	UEEVLZQCRRJWJZ-VIFPVBQESA-N	238.096	-0.473	50	10	BBGE	
C[C@H](CCN)CCOc1cc(B(O)O)ccn1	2217194915	YOUOFJANXVMWPO-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
N[C@H]1CCCCN(c2ncccc2B(O)O)C1	2217199811	FYSQTSUKWPQCKE-VIFPVBQESA-N	235.096	-0.921	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNc1ccc(B(O)O)cn1	2217201650	FDARSVAJVHIWJM-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
CC(C)[C@](C)(O)CNc1ncccc1B(O)O	2217203272	RXXYHKVLXMTZER-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C(=O)[C@@H]1C	2220062366	KMCDUULDFQJJLP-NXEZZACHSA-N	247.103	-0.019	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNC3(CCC3)C2)nc1	2223641397	TWWJJNDQIPBEJZ-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
Cc1ncncc1Nc1nccc(B(O)O)c1F	2223643508	WPVOPHXAUUGECC-UHFFFAOYSA-N	248.026	-0.257	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2243356746	MJWIKUPRRKCXTQ-SSDOTTSWSA-N	222.053	-0.681	50	10	BBGE	
CCc1ccsc1CNC(=O)C#CB(O)O	2243361772	GZINHFODOPTLCL-UHFFFAOYSA-N	237.089	-0.058	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381301	FCFGJEFNWRDOLM-RBXMUDONSA-N	227.069	-0.467	50	10	BBGE	
C[C@H]1CN(C(=O)c2csnc2B(O)O)[C@@H]1C	2243398386	QBXABOQIIMLDNG-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
C#CC1CCN(C(=O)C2(B(O)O)CC2)CC1	2243411116	OCMUSXZGMKHRRJ-UHFFFAOYSA-N	221.065	-0.135	50	10	BBGE	
COC[C@@H](C)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243411324	RJVMLLWBEZAKIG-HTQZYQBOSA-N	229.085	-0.219	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2243411411	SORDGLJLSSBXRX-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
CCONC(=O)c1sc(C)c(B(O)O)c1C	2243413696	LSZKYQAVZJRAPW-UHFFFAOYSA-N	243.093	-0.274	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cocc1B(O)O	2244216383	JWRKTDSDEUXVIW-MUWHJKNJSA-N	223.037	-0.560	50	10	BBGE	
CC1(Oc2ncc(F)cc2B(O)O)COC1	2245008612	SVELHFRUQLNQGT-UHFFFAOYSA-N	227.000	-0.932	50	10	BBGE	
CN(C)CCCONC(=O)C1(B(O)O)CCC1	2247754522	MLJIWBXSMJAUQZ-UHFFFAOYSA-N	244.100	-0.617	50	10	BBGE	
CC(C)=CCNC(=O)c1cncc(B(O)O)c1	2247775109	HFIHNJCSTZBIJZ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3C[C@H]3C2)oc1B(O)O	2247788296	CQXCEBBJAJXTKJ-YUMQZZPRSA-N	235.048	-0.640	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247800556	QEICDQRHNJYGNM-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
CN(Cc1ccncc1)C(=O)[C@H]1C[C@@H]1B(O)O	2247807373	QWENECOQUIHTFH-UWVGGRQHSA-N	234.064	-0.097	50	10	BBGE	
O=C(N[C@@H]1CNCC12CC2)[C@H]1C[C@H](B(O)O)C1	2247807629	IPWMUAMHUUUVDZ-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
CCNC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247859728	OOFJLADPQTWDBZ-UWVGGRQHSA-N	240.112	-0.550	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCOC1	2247871619	FEQXATVGVPNXER-JTQLQIEISA-N	241.096	-0.074	50	10	BBGE	
Cc1ccc(C(=O)N2CCOC2)cc1B(O)O	2247874488	MUZHVVXOCOZWSA-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
CCOC1CC(CNC(=O)C2(B(O)O)CC2)C1	2247878318	NMDVMGIBZKCBPY-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CN(C)CCC(C)(C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247887644	QHFQKYJCLGUXRL-RKDXNWHRSA-N	242.128	-0.304	50	10	BBGE	
N[C@@H]1CCCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247903175	IWUPZCPVKMZAEB-YDYPAMBWSA-N	240.112	-0.375	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CC=CC1	2248419462	AZBFRRMHYZVQGQ-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
CCC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248577697	OGJZKXKWHVMRND-KAVNDROISA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C(=O)O	2248588304	BAHWCTBRPJSDMA-OOJXKGFFSA-N	241.052	-0.829	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248588955	KIRUWIUFHXBTGC-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cc(B(O)O)co2)CC1	2249411837	UNNOEFDTRTYXJS-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1cocc1B(O)O	2249415801	JBEIMDROJGAJPT-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249416502	SOZRCFDYYQWERY-VIFPVBQESA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccncc1B(O)O	2255453101	ORDKIMKYPNYTHM-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(F)cc1B(O)O	2255499083	ZIQIVEHGENTIMC-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
Cc1ccc(C(=O)NCC2COC2)cc1B(O)O	2255510793	ACTKJHJVIIHRIN-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3C[C@]3(C)C2)oc1B(O)O	2255573538	OKFIKMZLRKIDQH-QPUJVOFHSA-N	249.075	-0.250	50	10	BBGE	
O=C(N[C@@H]1CCn2nccc2C1)[C@H]1C[C@@H]1B(O)O	2255583821	RGMHOAIADWPCHO-JEZHCXPESA-N	249.079	-0.823	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1ccc(B(O)O)o1	2255669212	LDCLULYUMLOFOK-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)oc1C)C1CC1	2255728056	ZHEKLFJMEQRTNC-SNVBAGLBSA-N	249.075	-0.038	50	10	BBGE	
O=C(NCCC1CCC1)c1ncncc1B(O)O	2255730244	JFBOBGKPKYYBDO-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1[C@@H]2CCCO[C@@H]21	2297044253	SBOPDZRXPSQYPR-ZLUOBGJFSA-N	215.278	-0.724	50	10	BBGE	
COC[C@H]1C=CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368749	VSHNRDINHCOPNM-BBBLOLIVSA-N	239.080	-0.347	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298370165	QDHUVXIOEKVXEF-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
CCN(C[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298370985	URBNIQVWIULPDQ-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@@H](F)C1=O	2301876049	IEHWOVKNNPZGPG-SSDOTTSWSA-N	241.222	-0.047	50	10	BBGE	
C[C@@H]1CN(CCC[C@H]2C[C@H]2C(=O)NN)C[C@@H]1O	2302568029	RNPHNJNLVCLHIH-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
Cc1cncc(CCN2CC[C@H](B(O)O)C2)n1	2303122919	GLPMHPBYDDCBQL-JTQLQIEISA-N	235.096	-0.124	50	10	BBGE	
CN1CCC[C@@H](N2CC[C@](C)(B(O)O)C2)C1=O	2303149804	GBSJYHZKIZMFRR-KOLCDFICSA-N	240.112	-0.454	50	10	BBGE	
OB(O)c1cc(N[C@H]2[C@@H]3CCO[C@@H]32)ncc1F	2303834617	IZUHYNUGTDUMNA-AGEOJFDCSA-N	238.027	-0.900	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]2CC[C@H]1O2	2310073900	QPBWZZKONZEFNG-WCABBAIRSA-N	249.075	-0.904	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1occc1B(O)O	2312849356	STYQQOHBDLOKST-WEDXCCLWSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCOC1	2317208964	NEZCISFESUSWRV-VIFPVBQESA-N	247.059	-0.347	50	10	BBGE	
CO[C@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317312258	DMRGZDITIRLJCI-XYPYZODXSA-N	249.075	-0.232	50	10	BBGE	
NC[C@H]1C[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317350164	OIQBFBCHBDBPSM-DKTWLAJQSA-N	249.075	-0.705	50	10	BBGE	
Cc1nc(OCC2[C@@H]3COC[C@@H]23)ccc1B(O)O	2318951592	JPVUJPLLOJEKMB-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
C#CCN(C)C(=O)Nc1cccc(C)c1B(O)O	2327691245	COYHFSSIOREXHJ-UHFFFAOYSA-N	246.075	-0.228	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)C(=O)NN)C1	42426519	CHJLDJVEYDECBP-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1	44678620	WUKVFBVNGCGHRS-IUCAKERBSA-N	219.244	-0.351	50	10	BBGE	
CCCCN(C)C(=O)COCC(=O)NN	58837585	DRVVGNAXPOVTLM-UHFFFAOYSA-N	217.269	-0.749	50	10	BBGE	
C[C@@H]1CCc2nn(C)c(=O)c(C(=O)NN)c2C1	77067649	DDIYKXIJCZXGDK-ZCFIWIBFSA-N	236.275	-0.491	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](CO)C1	82465816	QQTLUXOHVWSJJB-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H]1C(N)=O	82470032	HSAUJGBUPHRNEO-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C(C)(C)C1	82485350	RCVREOWNSZKWIL-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CCC[C@H]21	83702211	QIXGVDZZZKKXSQ-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
O=C1CC[C@H](NC(=O)CBr)C(=O)N1	84404585	OCZXUXNTEJVQFU-BYPYZUCNSA-N	249.064	-0.697	50	10	BBGE	
NNC(=O)c1occc1CN1CCOCC1=O	93226330	QUWBWLWJZDBVDG-UHFFFAOYSA-N	239.231	-0.758	50	10	BBGE	
N#Cc1ncn(Cc2csc(C(=O)NN)n2)n1	104112170	JISCTJQXWQFWEV-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
CN(C)NC(=O)c1ccc(C(=O)O)nc1	106112123	RTUPWYRULITUPC-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C(C)(C)CO	128757346	MQGCDUCFCCAQSY-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cnc(C#N)c1C#N	156312017	XIEHSVWBUNDWBN-NKWVEPMBSA-N	232.247	-0.187	50	10	BBGE	
CCN(CC)c1cnn(CC(=O)NN)c(=O)c1	165669346	SGRFGABSUSWKBS-UHFFFAOYSA-N	239.279	-0.921	50	10	BBGE	
O=c1ccn(C[C@H](O)CBr)c(=O)[nH]1	197317886	SAMLCZQFPZVGBY-RXMQYKEDSA-N	249.064	-0.708	50	10	BBGE	
OB(O)c1ccccc1CO[C@H]1CCOC1	203528369	WWFVAZKKBMCJPZ-JTQLQIEISA-N	222.049	-0.328	50	10	BBGE	
COC(=O)N1CCC(CC(=O)NN)CC1	215366536	OLHSTHSFLCOYQS-UHFFFAOYSA-N	215.253	-0.155	50	10	BBGE	
CN/C=C(/C#N)C(=O)NC[C@@H]1CCCO1	216937727	GCHWOTDIFYHLGS-XZLDQRQTSA-N	209.249	-0.092	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223099302	LSIRKZPQCIDYOB-UTLUCORTSA-N	240.307	-0.385	50	10	BBGE	
COC[C@@H](SCCN(C)C)C(=O)NN	232421803	ZCQLRHCCAVVIKQ-SSDOTTSWSA-N	221.326	-0.714	50	10	BBGE	
Cc1cc(CSCC(N)=O)oc1C(=O)NN	300803725	JOMFDPBFZBCUQJ-UHFFFAOYSA-N	243.288	-0.090	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)CCCO1	300828365	DZKSPOTZXVJIIR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=[N+]([O-])c1cnc(Br)cc1B(O)O	306718986	JKCMGXVISKXPCH-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
COCOc1cc(B(O)O)c(C)cc1OC	309334422	ZAYSJYRXGHMUKB-UHFFFAOYSA-N	226.037	-0.334	50	10	BBGE	
CO[C@H]1CCN(Cc2ccc(C)c(B(O)O)c2)C1	313745274	BPUSKMVXWHMAOG-LBPRGKRZSA-N	249.119	-0.104	50	10	BBGE	
CN1CCN(CCOCCCl)S1(=O)=O	379523048	KJKQIZOLWNCQEV-UHFFFAOYSA-N	242.728	-0.266	50	10	BBGE	
NC(=S)NN/C=C(\C=O)c1ccncc1	380131312	SWJPPGBOSJZXBQ-VMPITWQZSA-N	222.273	-0.041	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)[C@@H]1CCCO1	381293664	FIXBTPYFLJNGBT-CBAPKCEASA-N	229.280	-0.689	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](C(N)=O)C1	395612455	JZPCIRRDDZKSIW-SFYZADRCSA-N	242.323	-0.802	50	10	BBGE	
C[C@H](Cl)C(=O)c1c(O)cccc1B(O)O	396019673	GIUQJIBHLSSUBZ-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
O=C(CCCl)c1ccc(B(O)O)cc1CO	396041219	NXAZYSWWWXKDPP-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
O=Cc1c(CO)ccc2cc(B(O)O)sc12	396340187	RHRVWBKBHGCZGT-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)C[C@H](CC)O1	398712021	DZBOHXZKWFZZGN-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC[S@](C)=O	399942730	VYKHRWKFBLARHN-AYVTZFPOSA-N	235.353	-0.545	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)CCCCC(=O)NN	400001521	YOKPEOWDIWHSSU-XXFAHNHDSA-N	249.380	-0.155	50	10	BBGE	
COCCCC(=O)Nc1ccnc(B(O)O)c1	404977621	KPYLQWUZGOPBDU-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
OCCC1(CNCc2ccc(B(O)O)cc2)CC1	585037056	RFWTUZLOYJYATB-UHFFFAOYSA-N	249.119	-0.381	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1CC(=O)NN	688752373	DOKXQXCZUUKLSO-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](CN(C)C[C@H](O)C1CC1)C(=O)NN	690157170	XLLKIPKNRFXOFI-APPZFPTMSA-N	215.297	-0.685	50	10	BBGE	
CC(C)(C)CCOCn1ccc(B(O)O)n1	694308663	MAKHOYFRRZXIGM-UHFFFAOYSA-N	226.085	-0.027	50	10	BBGE	
CC(C)C[C@H](Sc1nncn1N)C(=O)NN	695123040	FYSAHGDHQKZNMW-LURJTMIESA-N	244.324	-0.511	50	10	BBGE	
COCCN(CCF)[C@H](C)C(=O)NN	700384639	NRBIXECKVNBANJ-SSDOTTSWSA-N	207.249	-0.717	50	10	BBGE	
CCC[C@H](CC(=O)NCB(O)O)n1ccnc1	702032826	STCIDHSEFOEITI-SECBINFHSA-N	239.084	-0.257	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CCO[C@@]2(C(=O)O)C1	704992564	DQVVWDUUFBUGNP-XCBNKYQSSA-N	243.263	-0.652	50	10	BBGE	
CN(N)C(=O)c1cnc2n(c1=O)CCS2	707605455	NOROBHABIYZZGL-UHFFFAOYSA-N	226.261	-0.705	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](CF)C1	711435375	PDIYPZCUNPOVTO-BDAKNGLRSA-N	233.287	-0.327	50	10	BBGE	
CC1=N[C@H](C)[C](C(=O)NCB(O)O)S1	725658776	QIYBGDZDABWCGZ-SCSAIBSYSA-N	215.063	-0.800	50	10	BBGE	
CCC1(C(=O)NNC(=O)[C@@H]2COCCO2)CC1	749412959	GWOUYSNQFOYJEX-QMMMGPOBSA-N	242.275	-0.261	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1	843657258	FRWXPVYJFYGYSJ-JGVFFNPUSA-N	242.275	-0.262	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@H]2COCCO2)[C@@H]1C	844584688	VOOUQJQHFYQEAX-KHQFGBGNSA-N	242.275	-0.071	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)C(C)C)[C@H]1CCOC1	854214437	YGKNJEGQZMDMCI-DTWKUNHWSA-N	244.291	-0.159	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@H]2CCC(=O)N2)[C@H]1C	863151240	IZNUUPCTRVXUJW-BIIVOSGPSA-N	239.275	-0.208	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	869384779	FXTQGCYISZYPAT-NFNQMPKISA-N	243.238	-0.324	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)c1ncccn1	1142468335	TZYNHRZCEYHMSU-SSDOTTSWSA-N	238.247	-0.744	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)c1cnn[nH]1	1144480578	ZIFYZTLFCJVNOW-GQCTYLIASA-N	223.236	-0.078	50	10	BBGE	
O=S(=O)(CCCl)NCC1(O)CC1	1253435533	YINUZHKQKQHQES-UHFFFAOYSA-N	213.686	-0.331	50	10	BBGE	
O=S(=O)(CCl)NC1CN(C2COC2)C1	1260938977	FDBLHUDFZQURCO-UHFFFAOYSA-N	240.712	-0.815	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNc2ncccn2)CCN1	1290675729	VPLYNKZXTHWIMY-MRVPVSSYSA-N	249.274	-0.164	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cnc(C)[nH]1	1320527508	ZIJNJUGDVLLSTK-UHFFFAOYSA-N	218.238	-0.952	50	10	BBGE	
CCO[C@@H](C(=O)NN(C)C(N)=O)[C@@H]1CCOC1	1329768735	WKEOORPVBMCAEP-HTQZYQBOSA-N	245.279	-0.530	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ccncn2)O1	1332143307	IONYTYVBWMYDRP-ZCFIWIBFSA-N	222.204	-0.375	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cc2ccoc2)nn1	1586154278	TURFIEIKLJPKCQ-UHFFFAOYSA-N	249.230	-0.588	50	10	BBGE	
O=C(CBr)N1CC[C@H](O)[C@@H](O)C1	1881085076	YJLZSYQKNCCHKX-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@H]2Cl)COC1	1883568972	ZGTCQDQNHKESOE-PHDIDXHHSA-N	204.657	-0.542	50	10	BBGE	
N[C@H]1C[C@H](NC(=O)/C=C/C(=O)Cl)C1	1883647840	RJAMTTJHGSSIKS-DFZBWKJHSA-N	202.641	-0.086	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@H](O)C[C@H]1CO	1886211694	NEUHYTSVKJVIGR-YWIQKCBGSA-N	219.668	-0.432	50	10	BBGE	
CN1CC(=O)N(C[C@H]2C[C@@H]2Cl)C(=O)C1	1893098030	GPRGREYHZWYOAI-RQJHMYQMSA-N	216.668	-0.086	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@@H]1COCCN1	1893118441	HVJMUYNLLBGTNF-PRJMDXOYSA-N	218.684	-0.282	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@@H]2C[C@@H]21	1898119271	XMBPHVUOYQONNW-KHQFGBGNSA-N	219.049	-0.061	50	10	BBGE	
N#CC1(F)CN(CCC(F)(F)C(=O)NN)C1	1901250659	ICFJGDDXVDYLFB-UHFFFAOYSA-N	236.197	-0.451	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)CC1	1901764637	PCABLWICLDGRIX-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@](C)(Cn1ncccc1=O)C(=O)NN	1902720547	QOJAKRYCLYXERZ-SNVBAGLBSA-N	224.264	-0.351	50	10	BBGE	
C=C[C@H](C)N(C)c1cc(B(O)O)c(F)cn1	1903005911	MMPOGUGTVHYIII-ZETCQYMHSA-N	224.044	-0.089	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1[C@H](C(=O)NN)C(C)(C)C	1914258230	HWVPUVXZKWAFJT-IWSPIJDZSA-N	229.324	-0.154	50	10	BBGE	
CCCN(CCC(=O)NN)C1COC1	1915660257	MEINBWZOARIJAS-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	1916501099	VACHBNOJQIXUSP-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CO	1927914119	QVMGKMXQYBKHTI-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]21	1928151843	PRFNGDUPZMPORS-CSMHCCOUSA-N	211.265	-0.471	50	10	BBGE	
C[C@]1(O)CON(S(=O)(=O)CCl)C1	1930277484	OLTAWOUEPMDMON-RXMQYKEDSA-N	215.658	-0.489	50	10	BBGE	
NNC(=O)C(=O)N1CC(CC(F)F)C1	1932116460	YKHUJXRSRJFFNP-UHFFFAOYSA-N	207.180	-0.910	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@@H]1C(=O)O	1935410524	XDXBNWAMKNULFZ-RQJHMYQMSA-N	215.253	-0.127	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CC(F)(F)C(=O)NN	1935943354	CLFFNFNWTDCSES-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)CCO1	1936530604	BPQZXFNANPVWDL-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCCN2CCOCC2)C1	1937205313	UNYKIFZHNIIBRD-WDEREUQCSA-N	247.770	-0.170	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2CCC[C@H]21	1937415818	RGGSBOROPGRGBY-NTSWFWBYSA-N	233.218	-0.378	50	10	BBGE	
NNC(=O)C1(CN2CCSC[C@H]2CO)CC1	1938230873	OAAMBOSEHJAMIK-MRVPVSSYSA-N	245.348	-0.834	50	10	BBGE	
CC[C@]1(N)CCCN(CC(=O)NNC(C)=O)C1	1940605663	KYXBATGJUNFXGM-NSHDSACASA-N	242.323	-0.643	50	10	BBGE	
CN(Cc1cncn1C)C[C@H]1C[C@H]1C(=O)NN	1944729155	ZURLQILPOKTGNE-PSASIEDQSA-N	237.307	-0.522	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2OCCO[C@H]2C1)C(=O)NN	1946405988	FCKISWNYSXJTMR-GUBZILKMSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277076	LKBVVWGRYJVIIE-OGBGREFGSA-N	241.335	-0.011	50	10	BBGE	
CC1(CO)CN(Cc2occc2C(=O)NN)C1	1951072072	FEJOEWVHQUBNFZ-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(CO)(CO)C1	1955571775	KTZCIOJJGUZQPP-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
CC(C)OC1CN(CCCC(=O)NN)C1	1958194574	VGCZKIGQDBNJOG-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CN1CC[C@@H](n2cccc2)C1	1961477562	JJRMQMQRKZVIKX-SECBINFHSA-N	208.265	-0.275	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961926981	PNMNUTKRNFGIJW-BDNRQGISSA-N	233.695	-0.042	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)C1CC(Cl)C1	1965141045	VBOMHJQPVRFCID-CQRKAFIDSA-N	221.684	-0.138	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C(F)(F)C1	1975915689	LBBAFHJDAKYXGU-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
CP(C)(=O)[C@H]1CC[C@H](NC(=O)C(=O)NN)C1	1976873051	WQXVXNSRRVXUKM-BQBZGAKWSA-N	247.235	-0.364	50	10	BBGE	
CN(C[C@H]1CCCC1(F)F)C(=O)C(=O)NN	1979482283	LAHSZVPDGKSFGN-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	1980226963	GAEPASIRLZYIOU-LPEHRKFASA-N	226.324	-0.611	50	10	BBGE	
Cn1ccnc1[C@H]1CCCN1CC(=O)NN	1981092391	ZEGALLDQUJDPSP-MRVPVSSYSA-N	223.280	-0.453	50	10	BBGE	
C[S@](=O)C1CN(CCC(C)(C)C(=O)NN)C1	1981207298	BSFOSBRQJZPAMJ-INIZCTEOSA-N	247.364	-0.545	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1F	1981408788	FGNMCUQWOPNRHK-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(F)(F)F)n1	1981419266	UNSWESHITWLCSS-UHFFFAOYSA-N	235.958	-0.594	50	10	BBGE	
CCC[C@H](OCCn1cncn1)C(=O)NN	1986446404	UJWPORRYCHBOCM-QMMMGPOBSA-N	227.268	-0.547	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)C[C@H]1CF	1988722706	GJRJKTQSCIMOJF-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
Cc1nc(CNC(=O)NC(=O)CCl)nn1C	1988861335	PKTGWILMEXXZHB-UHFFFAOYSA-N	245.670	-0.312	50	10	BBGE	
CN(CCn1ccc(B(O)O)n1)C1CCC1	1990144647	KGCSUDYNUVATKB-UHFFFAOYSA-N	223.085	-0.953	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12C[C@](C)(CO1)C2	1990325642	UWTDKYGPNJRVIV-IEBDPFPHSA-N	227.308	-0.134	50	10	BBGE	
CO[C@@H]1C=CCN(CC(=O)NNC(C)=O)C1	1990774221	GGVQDLOOJXEMBT-SECBINFHSA-N	227.264	-0.960	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1C(=O)C=CC(=O)Cl	1991647358	CNXKCTWTHOSBIU-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
COC(=O)[C@]1(N)C[C@H](NC(=O)[C@@H]2C[C@@H]2Cl)C1	1991681767	DAPLGCXLQNBLDJ-QGOVLLJGSA-N	246.694	-0.237	50	10	BBGE	
O=C(CC[C@H]1CCCO1)NCC#CB(O)O	1992144543	AVTOMBLFRXBLPA-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
CC1(C)[C@@H](C(=O)NCC#CB(O)O)C1(F)F	1992154015	UWKVFFUYELDYDZ-ZCFIWIBFSA-N	231.007	-0.591	50	10	BBGE	
CCC[C@@H]1CCOCC[C@H]1NC(=O)C(=O)NN	2001009611	VPQAZEYZSNKNPI-RKDXNWHRSA-N	243.307	-0.312	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@@H](C)[C@@H](C)C(=O)NN)C1	2002123133	YVWQBOYOSYHNJO-RGOKHQFPSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	2002917916	XCZSDNQVUMQIQC-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
CC(C)OC1CN(c2ccc(B(O)O)cn2)C1	2004918896	RGGKGKBCWPVZPQ-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
CC[C@@H]1CCCN(c2ncncc2B(O)O)C1	2004920195	HUQNFRWIEOIEJL-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CO[C@H]1CCN(c2ncccc2B(O)O)[C@H]1C	2004930570	UTTILSYXAOQOBJ-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006198806	MVHGBCUYRPJHKN-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CN(Cc1cncnc1)C[C@H]1C[C@@H]1C(=O)NN	2009050588	PRMMLPASLQFULM-ZJUUUORDSA-N	235.291	-0.466	50	10	BBGE	
COC1(CNC(=O)NN(C)C)CC(C(=O)O)C1	2009338111	XJXAGZRDOIHJTH-UHFFFAOYSA-N	245.279	-0.358	50	10	BBGE	
OB(O)c1ccn(Cc2ccn(C3CC3)n2)n1	2013742365	QMQAMKNNLUPRRM-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H]1CF	2016012983	FKJFDJQOMIOQQE-HRDYMLBCSA-N	249.286	-0.950	50	10	BBGE	
CN1CC[C@@H](C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020061917	MDGBXXFTBOEMPO-PSASIEDQSA-N	238.096	-0.845	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H](C2)O3)c1B(O)O	2021435198	CNQRRJXTGDAZOM-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1[C@H](C)CN1C[C@]12C[C@](C(=O)NN)(CO1)C2	2023852293	FKUMFHRIEFGPCN-RBLKWDMZSA-N	239.319	-0.134	50	10	BBGE	
CN1CCN(Cc2cncc(C(=O)NN)c2)CC1	2027484257	SXMCLTJFQXJCPD-UHFFFAOYSA-N	249.318	-0.568	50	10	BBGE	
COC1(CC(=O)Nc2cccc(B(O)O)c2)CC1	2029933802	LJDHCBZYAYVHMC-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3CC[C@H]3C2)n1	2050246717	IXIFNNBCJBFVOA-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2CCO[C@H]2C1	2052032929	GGKALNBBGBBDRN-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3COC[C@H]32)c(B(O)O)c1	2077844658	NTZXWCUHYOOQAT-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
O=C(NCc1ncco1)c1ccccc1B(O)O	2079009538	RVRCKEFZEMYAFW-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccccc1B(O)O)C2	2079010365	ZEJQCAWKTJOTDI-RNCFNFMXSA-N	245.087	-0.152	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@H]1C[C@H]1C(=O)NN)C2	2085303646	PBCSLSLRXPOSIO-PSASIEDQSA-N	247.302	-0.273	50	10	BBGE	
OC[C@]1(O)CCN(CCCCl)C[C@H]1O	2209502574	CDKLDGYCYOUXAP-RKDXNWHRSA-N	223.700	-0.595	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN(CCC(=O)NN)C[C@H]21	2210601705	ZXSHTRRCPVQBMN-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(CN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2210691882	OJAQASPUDNNGNM-HTQZYQBOSA-N	233.287	-0.593	50	10	BBGE	
C#CC(C)(C)N(C)c1ncc(B(O)O)cn1	2212603524	PCAZZHKKOZNRAL-UHFFFAOYSA-N	219.053	-0.996	50	10	BBGE	
Cc1cnc(N[C@H](C)CCO)cc1B(O)O	2212605126	YHWWNTOSXGPAHI-MRVPVSSYSA-N	224.069	-0.747	50	10	BBGE	
COCCCOc1nccc(B(O)O)c1F	2212606115	OTKIMMYNCNIREQ-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
Cc1ccn(C[C@@H]2CC[C@H]2C(=O)NN)c(=O)n1	2215772624	PCRDAQHISHHBGS-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COCC[C@@H]32)CCC1	2216528778	UFSVGRZMOBRYDQ-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
N[C@@H](CCOc1cc(B(O)O)ccn1)C1CC1	2217194578	BFNSKEJLCYSQFI-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
CC(C)(C)NCCOc1cc(B(O)O)ccn1	2217194818	CXVPJOKMNLZEOS-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
C[C@@](CO)(Nc1ccc(B(O)O)cn1)C(F)F	2217201556	QYAFLQVWXOLXRT-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
N[C@H]1CC[C@H](CCN=c2ccc(B(O)O)c[nH]2)C1	2223669076	FTBGVKSIYUBAKE-KOLCDFICSA-N	249.123	-0.887	50	10	BBGE	
OB(O)c1ccnc(NCC2CC3(CCN3)C2)c1	2223669975	QTBVXRPIOOABIJ-UHFFFAOYSA-N	247.107	-0.685	50	10	BBGE	
O=C(N1CC[C@@H](CO)C1)C1(B(O)O)CCC1	2243346586	BBMAQKQWANRKDB-MRVPVSSYSA-N	227.069	-0.776	50	10	BBGE	
NC1(CNC(=O)C2(B(O)O)CCC2)CCC1	2243364416	WXFMAILTHSJOQD-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C[C@H](F)CCNC(=O)c1sncc1B(O)O	2243386304	YBRLVNQLDQQPEY-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2243397510	CMXSCWZJHZZMSL-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1coc(B(O)O)c1	2243399136	XGOVSRPSHLPSLB-BQBZGAKWSA-N	221.021	-0.902	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1csnc1B(O)O	2243412430	MRGUNKPVDAYNBN-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
C=CCN(C)C(=O)c1sc(C)cc1B(O)O	2243413938	QEWYCJOAWTXUMV-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H](C)[C@H]1C)B(O)O	2243419795	GYQCANBOCVJCEV-FTLITQJKSA-N	247.125	-0.482	50	10	BBGE	
CC(C)(O)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420476	UBFWQNSGEWEBJC-YUMQZZPRSA-N	227.069	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC=C[C@@H]1CF	2243425883	BXPKGRUOOFQUCC-IWSPIJDZSA-N	227.044	-0.024	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427023	PAVKTGOMEQCBKH-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
C#CCC(=O)Nc1ccc(Cl)cc1B(O)O	2243665084	PVSJJXWVIZNSAK-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1sccc1B(O)O	2244143116	HDQUUUXOGFLXTA-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
CC(C)(CCF)C(=O)NCCC#CB(O)O	2244547410	ZRPBYQXKZJPKTH-UHFFFAOYSA-N	229.060	-0.106	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]1C1CC1	2244548909	WGBMGIWYPHVNQW-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
CC[C@H](COc1cc(B(O)O)cnc1C)OC	2246748081	KQAYQYHYRAHUMS-SNVBAGLBSA-N	239.080	-0.126	50	10	BBGE	
CNC(=O)C[C@H](C)NC(=O)C1(B(O)O)CCC1	2247732278	DYVAOUXDIRDPAJ-ZETCQYMHSA-N	242.084	-0.976	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccc(B(O)O)o1	2247742717	SQAWHKFKDFBPBO-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCc2ccoc21	2247743450	DNEWNGQPVOLLKQ-SECBINFHSA-N	233.032	-0.211	50	10	BBGE	
C[C@H]([C@@H]1CCCOC1)N(C)C(=O)C#CB(O)O	2247746598	BDIGWLKLVXTQDX-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
NC[C@@]12CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750623	MCIISOCWRGQAAV-WCBMZHEXSA-N	238.096	-0.809	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787957	XACJLXNVIQZWQH-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
NCC1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247792521	TVSFDCFWQNHSTK-AOOOYVTPSA-N	240.112	-0.563	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCCNC1	2247792642	UESXLJPHGDYYPH-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2247801057	WLXWJPWOCNZJMH-CVPUBMOQSA-N	241.096	-0.079	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806686	OMNVAPWIMPVVBR-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
C=CC1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247808084	JWMCTZTZBYLLQO-RKDXNWHRSA-N	239.080	-0.611	50	10	BBGE	
CCc1ccc(CNC(=O)C#CB(O)O)cc1	2247849997	INLLZZNDRKHGLM-UHFFFAOYSA-N	231.060	-0.119	50	10	BBGE	
C=CCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247854406	CEVUACYMQLRLNB-NXEZZACHSA-N	238.096	-0.821	50	10	BBGE	
Nc1ncccc1NC(=O)C1(B(O)O)CCC1	2247855864	ZHMPWSCGXDOMNM-UHFFFAOYSA-N	235.052	-0.001	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1ccccc1B(O)O	2247869419	RDGNTOLCABVCMQ-ZETCQYMHSA-N	233.032	-0.873	50	10	BBGE	
CN(c1nccnn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247909046	DPINEYZADCGMLE-KNVOCYPGSA-N	236.040	-0.913	50	10	BBGE	
CCC[C@](C)(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248573337	CNFRQPKILSNZJD-PJKMHFRUSA-N	243.068	-0.391	50	10	BBGE	
CC(C)CN(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248585510	MTFFUUFLLASZFD-YUMQZZPRSA-N	243.068	-0.582	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC(F)(F)C1	2249408735	GNPIGNDCSQSHPK-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1cc(B(O)O)co1	2249417559	HVXCBBZPDGRTQG-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H](CF)C1	2249433464	MLUVEXNRINUOPS-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1ccc(B(O)O)o1	2255461803	MPJUEAQPCWWTBU-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)CC=CCN1C(=O)c1n[nH]cc1B(O)O	2255547497	NLPQKUAXHFSXFT-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
C=C1CON(C(=O)c2ncc(C)cc2B(O)O)C1	2255557488	FSNNFGFACRHSGK-UHFFFAOYSA-N	248.047	-0.987	50	10	BBGE	
NCCc1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)c1	2255570791	JEGXMYWCPXQQLB-WDEREUQCSA-N	248.091	-0.011	50	10	BBGE	
COc1ccc(OC)c(NC(=O)C#CB(O)O)c1	2255668866	GBJBSKMGBMEZBG-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2cnoc2)c1	2255689092	FSAGCBMHKVLEQO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1occc1B(O)O	2255737266	BYKNVXHSGHTDBI-GKVHRYEBSA-N	247.059	-0.656	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1cc(B(O)O)co1	2258129681	YKQCWYXZDRYGBF-SCZZXKLOSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CC=CC[C@@H]21	2258135370	RERAWHUGYCKCBG-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H](C2CC2)C1	2258135750	TULDWNAMKABGNV-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1cocc1B(O)O	2258138309	INQSLKYCIRGVMB-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)O1	2298371806	WLXWJPWOCNZJMH-AKEJEFCPSA-N	241.096	-0.079	50	10	BBGE	
Cc1ccnc(OC[C@@H]2CCN2C)c1B(O)O	2298957761	OGTLCZNXVJKGCE-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
CO[C@@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2301420213	BOSBCYGXKYZHSI-GHMZBOCLSA-N	235.048	-0.622	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)Cn2cccn2)C1	2303103174	CTFZSZJNJPHHOZ-SNVBAGLBSA-N	237.068	-0.652	50	10	BBGE	
O=C(c1ccc(=O)oc1)N1CC[C@@H](B(O)O)C1	2303107627	ZEOFARGDOIAZBO-MRVPVSSYSA-N	237.020	-0.671	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303107785	BYPFCLIOLOQXSD-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1cc(N2N[C@H]3CC[C@H]2C3)ncc1F	2303836204	JGKVMJGVKPYDEV-BQBZGAKWSA-N	237.043	-0.854	50	10	BBGE	
CCN(c1cc(B(O)O)c(F)cn1)C1COC1	2303847921	QGMNVTBKINGFGQ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@H]1[C@H](C)N(CC2(C(=O)NN)CC2)CC[C@H]1O	2304213478	RIDWCJUMBSOQCN-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2306864631	CUTFXILYDLYNFA-OPRDCNLKSA-N	242.128	-0.352	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@@H]3CC[C@H]2N3)c1	2312614451	OQHGIEAQBXUCOP-DVVUODLYSA-N	248.091	-0.719	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1c1cc(B(O)O)ccn1	2314226040	MYMRACDIIGGKGA-MNOVXSKESA-N	248.091	-0.723	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CCOC2)cc1B(O)O	2317308874	NIFWBZCSWFSZAM-SECBINFHSA-N	249.075	-0.373	50	10	BBGE	
CC(CC(C)(C)NNC(N)=O)=NNC(N)=O	4267004	HOHZMPULCDNXQM-UHFFFAOYSA-N	230.272	-0.628	50	10	BBGE	biogenic
C[C@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468764	PUXHONAHSXCLBC-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CCN(CCO)Cc1ccc(C(=O)NN)o1	82468822	ASDZTMGZDXWLOW-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
NNC(=O)c1cc(CN(CCO)C2CC2)on1	104120150	LRFRCQMFHDYXMY-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
NNC(=O)c1cc(COC[C@@H]2CCOC2)on1	110566885	OYAWZRMDPRCZTC-SSDOTTSWSA-N	241.247	-0.169	50	10	BBGE	
CCOCCCNCc1ccc(B(O)O)s1	203615352	INTSKBIOYSIVOX-UHFFFAOYSA-N	243.137	-0.056	50	10	BBGE	
C[C@@H](Cl)C(=O)NN1CCN(C)CC1	214605100	KNRJUJDQJZGGTE-SSDOTTSWSA-N	205.689	-0.108	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\NC[C@@H](C)O	216804908	DNCPMLONABKABC-URLRMUCDSA-N	241.291	-0.483	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSCC1	232419030	BEVXUXNRZWWXCT-SSDOTTSWSA-N	219.310	-0.960	50	10	BBGE	
COCc1nc2cc(B(O)O)ccc2o1	238338152	MYORCFVQLVSEQJ-UHFFFAOYSA-N	206.994	-0.346	50	10	BBGE	
O=C(O)Cc1cc(Cl)c(B(O)O)cn1	238633605	MEUWXWALKDLEMM-UHFFFAOYSA-N	215.401	-0.958	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@H](C1)O2	252600027	LFHHZBLCXGKBKY-AATLWQCWSA-N	227.308	-0.136	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@H]1CCCO1	292411987	YUBKWIYVRTVWFC-SSDOTTSWSA-N	211.221	-0.871	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](C(=O)NC)C1	300044916	SMZKXGNXYGQWTG-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
Cn1nnc(CN[C@@H]2COC[C@@H]2Cl)n1	306196663	KYBIJHBRGWOZOC-NTSWFWBYSA-N	217.660	-0.694	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COC[C@@H]2Cl)n1	306221099	VOTQKIJHACUMIJ-CAHLUQPWSA-N	230.655	-0.449	50	10	BBGE	
N#Cc1cnn(CCCCC(=O)NN)c1	309100664	IWABQSXLRRHCEQ-UHFFFAOYSA-N	207.237	-0.085	50	10	BBGE	
CC(C)[C@@](C)(NC(=O)NC(=O)CCl)C(N)=O	380869422	IPTVESXGHHHYHS-SECBINFHSA-N	249.698	-0.049	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@@H]1CCOC1	381215570	FTZZDVCMPRFYNT-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CCCN(CCCCC(=O)NN)CC(N)=O	393770123	SFXATGYWZDHQJN-UHFFFAOYSA-N	230.312	-0.656	50	10	BBGE	
C[C@H](Cl)C(=O)c1cccc(O)c1B(O)O	396017837	BDXMPPRZKWAQNR-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
Nc1cc(C(=O)O)c(B(O)O)c2ccsc12	396237847	DDOITEUBTWRYLB-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1cc(O)c2ccsc2c1B(O)O	396386801	ROWKOVNSFDRPKG-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)CC(=O)NN)CO1	401554312	BVKZZKHTCBPHFA-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
Cc1occc1C(=O)Nc1ccnc(B(O)O)c1	405034791	RIXWPSOESDLSCM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COCCCC(=O)Nc1ccc(B(O)O)cc1	405059705	OQXQXXOYHNPKQH-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
Br[C@@H]1CN[C@H]2NCC[C@@H]2N1	585663415	QOHZCGQMMGTCBR-HCWXCVPCSA-N	206.087	-0.412	50	10	BBGE	
O=C1C[C@H]([C@@H]2CCS(=O)(=O)C2)C(=O)O1	685961780	WJNLDMFLCWSTQO-PHDIDXHHSA-N	218.230	-0.489	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@](C)(CO)COC	689813564	YWWQXKISZYGMEA-SCZZXKLOSA-N	233.312	-0.916	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(CC2CC2)C1	699602248	SMYGKCAUAOSVHL-SNVBAGLBSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](OC(C)C)C1	701686486	SZRHMLOIESUQFB-ZJUUUORDSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCB(O)O	702031281	VVMALTQXHVDSPD-YIZRAAEISA-N	228.101	-0.624	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](N2CCC2)C1	702241008	VMKSPUBRUXVTBT-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507662	CMIXQUJGQYQWQO-YIZRAAEISA-N	242.323	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]3C[C@@H]32)O1	706969480	BKUGTKIFWULRPK-IMSYWVGJSA-N	225.292	-0.382	50	10	BBGE	
NNC(=O)CCCCN1CC(n2ccnc2)C1	707388649	NOGYDCVYLAIONA-UHFFFAOYSA-N	237.307	-0.100	50	10	BBGE	
CN1C[C@@H]2[C@@H]3CC[C@@H](CN3CC(=O)NN)[C@H]2C1	707930760	JYQVLWRVTHWKGC-VLEAKVRGSA-N	238.335	-0.752	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](CO)C1	708125452	YVATYGZTNNQALZ-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
COC(=O)C1(c2ccc(B(O)O)s2)CC1	709692064	SEXHQKWMKAXACX-UHFFFAOYSA-N	226.062	-0.368	50	10	BBGE	
C=C[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717437839	RMXOTNFKHAADKG-CSMHCCOUSA-N	211.217	-0.550	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(=O)NN)C[C@@H](C)C1	723783107	POPSGOXARKZKQX-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
C[C@@H]1CN(Cc2nsc(C(=O)NN)n2)[C@@H]1C	724321929	CYWWZWWOUGBACE-PHDIDXHHSA-N	241.320	-0.018	50	10	BBGE	
C[N+]1=CC([S@+]([O])(=O)NCCCl)=NC1	725599287	VXYMZTLJJBJFCT-CYBMUJFWSA-N	224.693	-0.343	50	10	BBGE	
Cn1ccnc1C=NNC(=O)N1CCOCC1	727257408	LXMHEKXIGHSTOS-UHFFFAOYSA-N	237.263	-0.204	50	10	BBGE	
Cc1cc(C)n(CC(=O)NNC2=NCC(O)=C2)n1	747630921	XBCXWTKNBWOOED-UHFFFAOYSA-N	249.274	-0.025	50	10	BBGE	
CC1(C=NNC(=O)[C@H]2COCCO2)COC1	814860084	CFMCIBCGUJLHAB-MRVPVSSYSA-N	228.248	-0.460	50	10	BBGE	
C[C@H](CN)CC(=O)N1CCC(O)(C#N)CC1	821980436	FXPIRQUAXIGVHM-VIFPVBQESA-N	225.292	-0.152	50	10	BBGE	
CCOC(=O)/C(C#N)=C/N[C@H]1C[C@@H](C(N)=O)C1	844269988	YGFHJNJAZYHYPT-QTSXBYEJSA-N	237.259	-0.190	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cn(C)c(O)n1	854410234	VIUGACYQAYVNOW-UHFFFAOYSA-N	228.208	-0.531	50	10	BBGE	
C[C@H](C(=O)NNC(=O)C(C)(C)O)[C@@H]1CCCO1	907628016	UIFPVLWZZYKBOW-YUMQZZPRSA-N	244.291	-0.280	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(C)nc1O	1292011011	RXNPEBGTWIFOGA-UHFFFAOYSA-N	224.220	-0.331	50	10	BBGE	
CCCOCC(=O)NNC(=O)c1ccnnc1	1557069057	YUKBWEJSDMHJGP-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O	1630972669	QUFXHOQPJQADJY-ZCFIWIBFSA-N	230.268	-0.906	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CSC(F)F	1650775481	PUUXTWFJDIQMFS-UHFFFAOYSA-N	241.263	-0.349	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)CCl	1880875769	CKGOGJBAEGRZNU-JKUQZMGJSA-N	213.686	-0.129	50	10	BBGE	
O=S(=O)(CCl)NCc1nnc(O)o1	1883968785	DMBWDABVBQRBTL-UHFFFAOYSA-N	227.629	-0.609	50	10	BBGE	
OC[C@H](O)[C@@H]1CCCN1C[C@H](O)CCl	1885362227	APMYDAQRCFLPFS-VGMNWLOBSA-N	223.700	-0.596	50	10	BBGE	
O=C(NOCCCl)[C@H]1CCCS1(=O)=O	1888316446	RFILOJUNYQWOEE-ZCFIWIBFSA-N	241.696	-0.150	50	10	BBGE	
N[C@H]1COC[C@@H]1NC(=O)/C=C/C(=O)Cl	1893504829	NHEOKCSWJONHAU-ZELZYMQXSA-N	218.640	-0.850	50	10	BBGE	
CC[C@@](C)(CN(C)C1CC(O)C1)C(=O)NN	1902715591	IOXHAFLTGSZABZ-AMUVOQDHSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1CC(N(C)[C@@H](C)C(=O)NN)C[C@H]1OC	1906527764	JYHMFQKZSJNVJV-FXBDTBDDSA-N	245.323	-0.511	50	10	BBGE	
CCN(CCO)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909806319	VVRUAGZXSBWKLP-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CC(C(=O)O)=C(C)C(=O)NC(=O)NN(C)C	1911561142	XLKFDKKLWQBXNW-UHFFFAOYSA-N	229.236	-0.290	50	10	BBGE	
Cc1csc(=O)n1C[C@H](C)C(=O)NN	1912236545	DJPHJCLFUJGEJT-YFKPBYRVSA-N	215.278	-0.156	50	10	BBGE	
CCc1ccnc(C(=O)NNCCO)c1	1912357866	QAVZFLUPHGWLSN-UHFFFAOYSA-N	209.249	-0.129	50	10	BBGE	
NNC(=O)C1(CN=S2(=O)CCC2)CC1	1913870534	HDHJIZJHNZUTSS-UHFFFAOYSA-N	217.294	-0.372	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CCOCC2)C1	1915589934	OMLDTSXNXKRUBA-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
O=C(CC1CC(C(F)F)C1)NCB(O)O	1925150106	XYHCGDXQMDHTCJ-UHFFFAOYSA-N	221.012	-0.204	50	10	BBGE	
N=c1[nH]nc(SCCOCC(=O)NN)s1	1928182374	YNFLLUNXAJACAA-UHFFFAOYSA-N	249.321	-0.951	50	10	BBGE	
C[C@@H](CN1CC2(CC(O)C2)C1)C(=O)NN	1928569513	IWIIEJLBWZUKGQ-ZETCQYMHSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CSC2)C1	1928606633	TYFCSFFGOGTVEZ-SFYZADRCSA-N	227.333	-0.339	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)OCC[C@H]1C	1929661088	JDQUIBBMLCTZLH-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]1CO	1929739872	BPZZRRFHSVENFN-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnsc1	1930601270	QYNJYIWHOGFWGL-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
NNC(=O)C1(COC[C@H]2CCCO2)CC1	1931266736	JQNASHJJIVWAEW-MRVPVSSYSA-N	214.265	-0.048	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]2C[C@H]2CO1	1931599575	YTHULOXWZWECPM-SRQIZXRXSA-N	215.278	-0.724	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(SC)C1	1933239271	ISSQMSJWBGJUTG-ZETCQYMHSA-N	203.311	-0.198	50	10	BBGE	
CSC1CN([C@@H](C)CC(=O)NN)C1	1933240266	ZIXQBQMXUBDVNY-LURJTMIESA-N	203.311	-0.198	50	10	BBGE	
CC[C@@H](OC[C@@H]1COCCO1)C(=O)NN	1933321035	TYWPTFNWLICVOD-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
Cn1c(O)nnc1SC[C@@H]1C[C@H]1C(=O)NN	1936090039	FTRRMSZSKFGSSD-CRCLSJGQSA-N	243.292	-0.761	50	10	BBGE	
CN(C[C@@H]1CCCO1)C[C@H]1C[C@@H]1C(=O)NN	1936094387	MPXZPFYLVSNQBD-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C(F)(F)C12CCC2	1937509042	XFAPQEHOESRHDA-RXMQYKEDSA-N	233.218	-0.472	50	10	BBGE	
Cn1c(SCC2(C(=O)NN)CC2)n[nH]c1=N	1938261025	WVLCJDQGPHAQIZ-UHFFFAOYSA-N	242.308	-0.910	50	10	BBGE	
CN(C)[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941082376	GHZPFQJRWCDDPP-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC1CC2	1941086856	KHKVXTQQJFKJDH-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc([N+](=O)[O-])nc1C	1941499083	PMSIJLFEPCZMEO-ZCFIWIBFSA-N	243.223	-0.723	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H](O)[C@H](F)C1	1944307219	HIGKTDHWNARXRR-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H](C)N1C	1945883109	UHDFWBUPEHRJKK-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
Cc1ncoc1C(=O)N1CC[C@H](B(O)O)C1	1951320373	IUSISSKWOIRLCK-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
O=C(c1cncnc1)N1CC[C@H](B(O)O)C1	1951320986	VFUDFDWWYDYOMY-QMMMGPOBSA-N	221.025	-0.835	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1CCO1	1958937828	QMYOKQXCKHPLCD-QMMMGPOBSA-N	208.022	-0.466	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C2(CCC2)C1	1960174386	VBGWJJFZFKAGKF-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]2CC[C@@H]1O2	1960796125	BAKGGTXKJXZHDW-YIZRAAEISA-N	213.281	-0.524	50	10	BBGE	
C#CC1CN(C(=O)c2cc(B(O)O)ccc2F)C1	1965008977	MWZJZCBVSKKZSV-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(CNC(=O)N2)C1	1974910420	YXUPBZWYCQUUNL-LURJTMIESA-N	231.683	-0.102	50	10	BBGE	
N=c1nc(CCl)nc(NC2(C(N)=O)CC2)[nH]1	1976526155	PJAQAZWJHLOTCF-UHFFFAOYSA-N	242.670	-0.547	50	10	BBGE	
NC(=O)NNC(=O)c1ccn2ccnc2c1	1978922467	KNYSCGHVMMDFII-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
COc1cc(CN(C)CC(=O)NN)ccn1	1979612367	FBMRZYOBRYEABR-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
CN(CCCC(=O)NN)C1(CO)CCCC1	1980803946	RACLUGHHDUNNNM-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2COCC[C@H]21	1980814061	ORALOAYFWLZUDN-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CCO[C@H]2C1	1981242242	KXCRDKUCCKILBZ-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H](CF)C1	1981250201	ULYAGBHQNGXYBG-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CSCC1CN(c2ncccc2B(O)O)C1	1981423683	HWKVACAHXSWWSG-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CO1	1981430615	QDFMOXCVEKSWOY-VXNVDRBHSA-N	223.037	-0.682	50	10	BBGE	
CON(c1ncnc(C)c1B(O)O)C(C)C	1981446467	YUQTUGKEBYBGOS-UHFFFAOYSA-N	225.057	-0.759	50	10	BBGE	
NNC(=O)c1ccc(COC2COC2)cn1	1983345454	XAHPMPUCTUDEBW-UHFFFAOYSA-N	223.232	-0.400	50	10	BBGE	
CC(C)=CCCn1cc(B(O)O)ccc1=O	1984101292	KJLVFXCBXLMHJB-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]1[C@@H](C)O	1985571143	GPKMRXHFLLSIOZ-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CCn1nnc(CNC(=O)/C=C/C(=O)Cl)n1	1992066771	XXJJGFRFOPAGAQ-ONEGZZNKSA-N	243.654	-0.369	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@@H]32)CC1	1992329173	RTLAJHLLUSDOQF-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccc(B(O)O)cc1	1992837518	ZHBFFYKRTKLKST-BDAKNGLRSA-N	223.012	-0.793	50	10	BBGE	
C#CCCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1998133686	UVXSCNUDUWIKRF-QMMMGPOBSA-N	241.052	-0.778	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2ncccc2B(O)O)[C@@H]1C	1998449759	DTZQOTVDKJZXMX-SRSLHRDFSA-N	234.064	-0.398	50	10	BBGE	
COC[C@]1(C)COCCN1[C@H](C)CC(=O)NN	2002850399	KXJRRDJZGIEGBG-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)CCCO1	2004936191	WEKUUWVOHJZLJV-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1ncccc1B(O)O	2004950190	BZXJTMOEETYOJI-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
CN(CCC(F)F)c1ncc(B(O)O)cc1F	2005017177	ATEZWSKJCZYYQD-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@H](C(=O)NN)C1	2010835747	RUTDRNDJFBWWQO-DCAQKATOSA-N	243.351	-0.047	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010835898	UBYINAODYZUACD-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C(C)(C)C(=O)N1	2013376791	STGCZWOLLJODLY-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CCCN1CCN(CC(=O)NNC(C)=O)CC1	2019212948	UQROSHSOGCBPEN-UHFFFAOYSA-N	242.323	-0.819	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@H]2CCC[C@H]2C1	2020069082	XQMFSAGVYFIPRY-AOOOYVTPSA-N	238.096	-0.004	50	10	BBGE	
NC1[C@@H]2CN(CC(=O)NNc3ccccn3)C[C@@H]12	2045670858	NGNORWFBCGCLNO-RKDXNWHRSA-N	247.302	-0.586	50	10	BBGE	
CN(C[C@@]12CCC[C@H]1C2)c1ncncc1B(O)O	2052467969	XKSFZVQGAJVLOV-CABZTGNLSA-N	247.107	-0.217	50	10	BBGE	
Cc1ccnc(-n2cnc(C3CC3)n2)c1B(O)O	2052602719	MCIOIUAOZFOXPX-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CCC[C@H]32)n1	2052620033	NTRLIFODLYPHTG-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2211838708	KMPIAKBZPSIYQR-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](O)C1CN(CC2(C(=O)NN)CCC2)C1	2212263440	UUQJASXCVYBBAZ-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1cncnc1OC1C[C@@H]2C[C@H]2C1	2212295043	ZNDUWXGEWUTIPS-BQBZGAKWSA-N	220.037	-0.666	50	10	BBGE	
Cc1cnc(OCC(C)(C)N)cc1B(O)O	2212604532	PYAPADDDBXWOQU-UHFFFAOYSA-N	224.069	-0.814	50	10	BBGE	
Cc1cnc(NCC2COC2)cc1B(O)O	2212605980	MOAXEGWPIPEFEF-UHFFFAOYSA-N	222.053	-0.872	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@H]32)c1F	2212606310	RTMZGBCAPAWWHZ-HTRCEHHLSA-N	222.028	-0.501	50	10	BBGE	
CC[C@@H](Oc1ccc(B(O)O)cn1)[C@H](C)N	2212606548	VSTQODDMLOGUKB-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
C[C@@H](CC1CC1)Nc1ncc(B(O)O)cn1	2212613301	UCZDQBFONPCPTK-ZETCQYMHSA-N	221.069	-0.243	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1cccc(B(O)O)c1	2214600976	WWTQEGUERMKFSZ-BXKDBHETSA-N	235.092	-0.679	50	10	BBGE	
COC1(CF)CN(CC2(C(=O)NN)CCC2)C1	2216495283	MLNTVXMVVAGVNA-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
CN(CCCCCO)c1ccc(B(O)O)cn1	2217177498	JPKRZDUIMGJREK-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CN1	2217177509	JSRYDOILMANNFP-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
CC1(F)CC(CN=c2ccc(B(O)O)c[nH]2)C1	2217181373	OWZRQKMZKPLQDJ-UHFFFAOYSA-N	238.071	-0.267	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CCO1	2217184274	OCVOFKQQYHMQSI-APPZFPTMSA-N	237.068	-0.864	50	10	BBGE	
CC[C@H](N)C[C@H](C)Oc1ccc(B(O)O)cn1	2217190393	CXRKUEHXIBTNCT-WPRPVWTQSA-N	238.096	-0.344	50	10	BBGE	
CCNCCN(CC)c1ncccc1B(O)O	2217201063	WTEQTYAGDCEAAM-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
Cc1cnc(N2CC3(C=CCO3)C2)cc1B(O)O	2223643313	ULONZJCRUSUZCO-UHFFFAOYSA-N	246.075	-0.785	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](CN)C2)cc1B(O)O	2223647817	CPXFRXDPFYUULZ-JTQLQIEISA-N	249.123	-0.755	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2CN(C)C)cc1B(O)O	2223650159	IXOZNFZCCRQLTA-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccc(OC2[C@H]3CC[C@H]2CNC3)nc1	2223650342	LLNGFERSQIVKIU-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
N[C@@H]1C[C@H](COc2cc(B(O)O)ccn2)[C@H]2C[C@H]21	2223665048	BLZKELBSXXKUSQ-QCNRFFRDSA-N	248.091	-0.877	50	10	BBGE	
OC[C@@H]1CO[C@H]2CN(CCCl)C[C@H]2O1	2241302792	HBHCLAQOTVUDKC-HRDYMLBCSA-N	221.684	-0.314	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@H]1Cl	2241574989	FBRIYZSAUUQBGM-WDSKDSINSA-N	203.434	-0.702	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(Cl)C1	2241575549	JHYBEBLXSCVXEX-UHFFFAOYSA-N	215.445	-0.865	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@H]1[C@H](O)CO	2241810518	FEDUBQIZJFJXQM-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]1[C@@H](O)CO	2241829176	YVLYAPMCAPLIAX-FXQIFTODSA-N	204.657	-0.455	50	10	BBGE	
CCNCCSC[C@@H]1C[C@@H]1C(=O)NN	2242282892	PKJWNVYIGWLSPR-YUMQZZPRSA-N	217.338	-0.045	50	10	BBGE	
COC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2242288479	BMPIXEIITQLAKG-IUCAKERBSA-N	200.238	-0.438	50	10	BBGE	
C[C@H]1CCN1C(=O)N[C@@H]1CCC=C1B(O)O	2242824054	TVXHINYGZRNQSM-IONNQARKSA-N	224.069	-0.109	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2CCC[C@@H]2C1	2243361494	CAWDEAFUWDVDIO-RKDXNWHRSA-N	221.065	-0.303	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2F)sc1B(O)O	2243373941	BJBNDHHUKWLBHT-WDSKDSINSA-N	243.068	-0.423	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(C)COC1	2243381382	FPQDJYKWLUNTOP-ZKCHVHJHSA-N	227.069	-0.513	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)[C@@H]1C[C@@H]1B(O)O	2243397086	VIQZYQGKANIWTR-YIZRAAEISA-N	227.069	-0.465	50	10	BBGE	
COCCCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243397201	XDPPMCOYQQPHPD-DTWKUNHWSA-N	229.085	-0.218	50	10	BBGE	
CN(C)CCN(C)C(=O)C1(B(O)O)CCC1	2243397760	IORWCDWCJHFQKA-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
CC(C)n1cc(NC(=O)C#CB(O)O)cn1	2243401452	RGMXMKSYZJMCHB-UHFFFAOYSA-N	221.025	-0.582	50	10	BBGE	
CCCN(OC)C(=O)c1cocc1B(O)O	2244212136	LMYQRWCLPLLYNW-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cocc1B(O)O	2244215980	HEWGVNZKMBQNNI-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
COc1ccc(N)c(C(=O)NCB(O)O)c1	2244496074	BWTJQKINWFFRKC-UHFFFAOYSA-N	224.025	-0.981	50	10	BBGE	
C=CC[C@@]1(CO)CCCN1[C@@H](C)C(=O)NN	2244836601	HWVHPTBQAYELIT-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ccoc1B(O)O	2247740028	FFSHSLPKJDWAPM-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CC[C@@]12CC[C@@](NC(=O)C#CB(O)O)(CO1)C2	2247740957	RZOBBNIWJFQSIF-QWRGUYRKSA-N	237.064	-0.780	50	10	BBGE	
O=C(C#CB(O)O)NCc1cnoc1C1CC1	2247742447	OYJATDWFCLYWCA-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@H]1C1CC1	2247743061	YHFVJLLEFMISMP-ONGXEEELSA-N	237.064	-0.972	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccoc1B(O)O	2247746561	ATILCSVLVOLTAI-QMSLJYSESA-N	237.064	-0.409	50	10	BBGE	
O=C(N1C[C@H]2CNC[C@@H](C2)C1)C1(B(O)O)CC1	2247750735	NKMMIEYRZQBIBE-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
O=C(N1CC[C@@]2(O)C[C@@H]2C1)C1(B(O)O)CCC1	2247756864	ORRXJLWRKANSMJ-LDYMZIIASA-N	239.080	-0.633	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CCN1	2247758876	XJVIYRGJAHDRRF-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2(CC1)COC2	2247796505	AEVDIVWJMISIRV-DTWKUNHWSA-N	239.080	-0.512	50	10	BBGE	
O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1C[C@H]1B(O)O	2247803618	BUPIQGHLEMILTI-OPRDCNLKSA-N	238.096	-0.940	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247806174	MOHUDZPXDFUYBW-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
C[C@]1(CNC(=O)C2CC(B(O)O)C2)CCNC1	2247806977	PKVGBGLQGUYRQB-AMUVOQDHSA-N	240.112	-0.645	50	10	BBGE	
CN(C[C@@H]1CCNC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247807419	RBCNZSWQUTUSGT-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
C#CCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1B(O)O	2247808486	LBSHBGPHZIRMQV-NKWVEPMBSA-N	248.997	-0.127	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)O1	2247808943	NIRIQFKZMZXLNZ-IGORNWKESA-N	241.096	-0.221	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N(C)C1CC1	2247809164	YAPICVHXORNGQY-FKTZTGRPSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CNC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247809369	YSXBTCOZOCPTRS-FMLYDFSMSA-N	240.112	-0.789	50	10	BBGE	
CC1(C)NCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247809718	QUUVYOUMEOACQC-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
Cc1cccc(CN(C)C(=O)C#CB(O)O)n1	2247851515	ZOTNMBADLVOYMP-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
CC(C)OCC1CN(C(=O)C2(B(O)O)CC2)C1	2247855237	PAJKYKAQPACAMO-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
CCCONC(=O)c1nccc(C)c1B(O)O	2247858379	DMWAHRGRFFXKJL-UHFFFAOYSA-N	238.052	-0.859	50	10	BBGE	
COC1(OC)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247860016	QSBPVDZUXAYCNT-FXQIFTODSA-N	243.068	-0.883	50	10	BBGE	
CN(C[C@]1(C)CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2247860038	QYOSFEHGGBUUOK-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247873573	DSHUKUDIXQOWPX-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C1[C@@H]2CCCC[C@H]2N1C(=O)C1(B(O)O)CC1	2247878003	GWTWBPBLTKHZSQ-HTQZYQBOSA-N	237.064	-0.079	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CCN1C	2247878862	OIGPDBTULWJMSA-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
CC(C)(CO)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2247897203	PLGJTPQUMOSPPR-DTWKUNHWSA-N	243.112	-0.236	50	10	BBGE	
NC[C@H]1C[C@@H](F)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247897996	ZIXOHEILOQORNA-FNCVBFRFSA-N	244.075	-0.863	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]12C[C@@H](CO)C2	2247898246	BPISZIMNJIODAG-SDNRWEOFSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CN1C	2247898751	HKUVDOMVABSFOF-ZYUZMQFOSA-N	240.112	-0.600	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]1C1(O)CC1	2247899068	KEVRSAOSNOYICO-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CCC1	2247909442	JSLTZDYTDCKYSW-KXUCPTDWSA-N	240.112	-0.517	50	10	BBGE	
C#CCCC(=O)Nc1ccc(B(O)O)c(F)c1	2248415044	UDLRYDZUXSELJC-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CC(C)CN(CC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248585507	MTFFUUFLLASZFD-HTQZYQBOSA-N	243.068	-0.582	50	10	BBGE	
CC[C@@H](C)C[C@@H](NC(=O)C#CB(O)O)C(=O)O	2248586758	GMMFLJFITNHDJO-HTQZYQBOSA-N	241.052	-0.993	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1cocc1B(O)O	2249422924	GRSKBAIYUFADMZ-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1cc(B(O)O)co1	2249427599	ISPAELDCONPSBT-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
Cc1noc(C)c1C(=O)NCCC#CB(O)O	2250001011	QMGTVYBTAABJNZ-UHFFFAOYSA-N	236.036	-0.573	50	10	BBGE	
C=CCC1(CO)CCN(C(=O)C(=O)NN)CC1	2250397158	KDZFNAQFHGJCIC-UHFFFAOYSA-N	241.291	-0.847	50	10	BBGE	
C#CC12CC(CCN1C(=O)[C@H]1C[C@H]1B(O)O)C2	2250893210	YWGKKEPRKAUISD-MBPTXSFVSA-N	233.076	-0.136	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1ccncc1B(O)O	2255458547	SKDLBILLKXZZCK-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1ncccn1	2255466082	SWRMQAMBZBCJDW-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1C[C@@H]2C[C@H]2C1	2255504392	QNQYBFDXLTYIQJ-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
O=C(NCCCC1CC1)c1cncc(B(O)O)c1	2255522520	KWGSNJOIELGYQU-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(OC)cc1B(O)O	2255525950	MFOZNQXCPBKQPU-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2255691586	OKAFLVXPBXPCGU-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1ccc(C(=O)NC2[C@H]3CC[C@H]23)c(B(O)O)c1	2255692734	WKJMGFJCNBFTAS-IUCAKERBSA-N	245.087	-0.187	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCC[C@@H]2C1	2255715199	BVZHMEASPIBBLE-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]1C1CC1	2255717234	JETLTEOETGRWIO-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
Cc1nnccc1NC(=O)c1occc1B(O)O	2255743392	NXTKNYRSRUDBMC-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1O	2255929993	XORSVAUCRXLINB-JVXZTZIISA-N	249.075	-0.400	50	10	BBGE	
O=C(NCCc1ccco1)c1cocc1B(O)O	2258131723	YHHUXVVJJVCSGK-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
Cc1cocc1CNC(=O)c1cc(B(O)O)co1	2258134619	WSFHCJFCVZWMDP-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298371076	YQSVKWWNHCLFHF-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@H]1CNCC12CCC2)[C@@H]1C[C@H]1B(O)O	2298374642	GTGLYRPXYPDLOA-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
CO[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298376610	FUKGTHFPZHVLGY-BBBLOLIVSA-N	241.096	-0.267	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463419	BZHIAKNOUHCCLI-OSMVPFSASA-N	241.052	-0.781	50	10	BBGE	
CCC[C@@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463441	CNFRQPKILSNZJD-BRDIYROLSA-N	243.068	-0.391	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H]1CO	2301340163	AUTMWMYFUHGNKB-KCJUWKMLSA-N	232.048	-0.969	50	10	BBGE	
CC[C@@H](CN)Oc1ccc(B(O)O)cc1C#N	2301369371	VSVBKYAFUOHSSN-JTQLQIEISA-N	234.064	-0.646	50	10	BBGE	
CCCNC(=O)c1cc(F)c(B(O)O)cc1O	2301393765	XIUTZPFSNMQMMS-UHFFFAOYSA-N	241.027	-0.649	50	10	BBGE	
C[C@@H](CCO)Nc1ccc(C=O)c(B(O)O)c1	2301420731	KREMABSZARCFLJ-QMMMGPOBSA-N	237.064	-0.638	50	10	BBGE	
C[C@H](CCCC(=O)NN)n1cnc([N+](=O)[O-])n1	2302044692	MCYNGEKHGKGZTG-ZCFIWIBFSA-N	242.239	-0.093	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2304011245	LCZMBDAQSABCMP-RKDXNWHRSA-N	239.080	-0.299	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1ccc(B(O)O)o1	2312848046	HMTCTESWOBMAQJ-HLTSFMKQSA-N	249.075	-0.265	50	10	BBGE	
CCOC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2317311744	UUIAUVWFWCMFSM-UHFFFAOYSA-N	249.075	-0.596	50	10	BBGE	
C=CCNC=C(C#N)C(=O)NCCOC	2324627032	DLAPIIWZKRIJQL-UHFFFAOYSA-N	209.249	-0.068	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COCC2CC2)O1	82464654	VEGUHRHOFZERIZ-DTWKUNHWSA-N	214.265	-0.050	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCCCO1	82469525	LMACLQXWEUYVJI-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
COCCn1c(C)cc(C)c(C(=O)NN)c1=O	82665868	PIIDDXDYOGVGPC-UHFFFAOYSA-N	239.275	-0.285	50	10	BBGE	
C[C@@H](CN1CCC(CN(C)C)CC1)C(=O)NN	104115282	AROADZIVHVWKAN-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
O=C(CN1CC[C@H](O)C1)NNC(=O)C1CCC1	114470348	DILIBMCEFQAAKH-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
Cc1ccc(NC(=O)C(=O)NN)cc1N(C)C	123484715	AJBJEDMHFMFEME-UHFFFAOYSA-N	236.275	-0.011	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@H]1CO	159086517	SQLZTUVRBKQWIY-SFYZADRCSA-N	204.657	-0.190	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1C[C@H](F)CN1	188842932	QFPIYSPGXLCDLQ-NTSWFWBYSA-N	219.216	-0.536	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C1	222177026	ZRXYJBPOVVHOHM-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C)CCC(=O)NN	234362727	KIBIPLXCBPWAQM-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H](N)C(C)C	236905633	UUILQLXEODRORB-LURJTMIESA-N	203.242	-0.253	50	10	BBGE	
NNC(=O)c1ccccc1NC(N)=S	238561635	XLRDFWQDFGZDEY-UHFFFAOYSA-N	210.262	-0.054	50	10	BBGE	
Nc1nccc(C(F)(F)F)c1B(O)O	238697802	CQIKQCLFNYUFKM-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CCOC(=O)[C@@](C)(CC)NNC(N)=O	238797298	FHEHXGHUOSIMHQ-MRVPVSSYSA-N	203.242	-0.109	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C=O)CC1	243095252	IYUZIDGLOWQZOC-ZETCQYMHSA-N	204.657	-0.086	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1[C@H](C)C(=O)NN	307331516	PEJXNJBDRQSHST-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
N#C/C(C(=O)C(N)=O)=C(/N)c1ccccc1	309048576	QXKSJULRTDJXIF-HJWRWDBZSA-N	215.212	-0.066	50	10	BBGE	
C#CCN(C)CCNS(=O)(=O)CCl	328199927	SOHCOSCSOCITKC-UHFFFAOYSA-N	224.713	-0.333	50	10	BBGE	
CC[C@H](CO)N(C)[C@@H](C)CC(=O)NN	379035505	ZETDGPMBHHWDJB-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN[C@](C)(CO)C(C)C	381511085	RAGMJFKQOMKVQO-SNVBAGLBSA-N	231.296	-0.850	50	10	BBGE	
C[C@@H](CN1CC[C@@]2(CCN(C)C2)C1)C(=O)NN	383896291	MUEJSHZUTSXWIN-CMPLNLGQSA-N	240.351	-0.360	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1B(O)O	383995676	MDMCBELABOQWEC-IVZWLZJFSA-N	240.112	-0.493	50	10	BBGE	
O=Cc1cc2cc(CO)c(B(O)O)cc2s1	396334256	IYIPANXZCTWGQB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CNC(=O)CCS[C@H](C(=O)NN)C(C)C	399154038	ASWRRIAEIKGWJJ-QMMMGPOBSA-N	233.337	-0.130	50	10	BBGE	
CO[C@]1(CO)CCN([C@H](C)[C@H](C)C(=O)NN)C1	402604734	MHDPISQDNUGVCO-IQJOONFLSA-N	245.323	-0.916	50	10	BBGE	
CNC(=O)N(C)Cc1ccccc1B(O)O	405153340	UNNMLBVZWQRTOO-UHFFFAOYSA-N	222.053	-0.862	50	10	BBGE	
CN(C)C[C@@H]1CCCN(CC(=O)NN)C1	405198509	QGQIPYRZRVMIBK-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
COC(=O)N(C)NC(=O)Cn1ccnc1	495629464	SBAZFIKUXQFLEY-UHFFFAOYSA-N	212.209	-0.388	50	10	BBGE	
O=C(CCCCCl)N[C@H]1C(=O)OC[C@H]1O	675079795	IREPUGYJNOUJRI-HTRCEHHLSA-N	235.667	-0.202	50	10	BBGE	
CN(C)C[C@H]1CCN(CCCC(=O)NN)C1	689156952	AADOFKYTKPHOPM-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@@H]1CCN(C)C1	693440363	XOOAUGNEZGQQCT-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](C(C)C)C1	708954404	YLNDZCTWHUEQJX-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1	709324494	IFDWQQJRHLTGAD-HTQZYQBOSA-N	238.243	-0.416	50	10	BBGE	
COC(=O)Cc1cc(F)c(B(O)O)cc1Cl	709658504	FQRWBFKEFKNEKM-UHFFFAOYSA-N	246.430	-0.126	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)O[C@H](C)C1	709921248	XDBSZWKYOHYYIM-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1	711844752	UVLBEIONLSJEAN-DTWKUNHWSA-N	241.291	-0.702	50	10	BBGE	
C[C@H](C(=O)NCB(O)O)[C@@H]1CCCCO1	711862628	WRRSALACKNRVEE-YUMQZZPRSA-N	215.058	-0.680	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cc(B(O)O)ccc1F	713939082	DHWQWWPMSYXULU-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CO[C@@H]1N=CC(=[S@]([O])(=O)N=C=O)S1	725569356	ZHTRAMPLIDGKPZ-YFKPBYRVSA-N	221.239	-0.255	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)[C@@H]1COCCO1	744643237	BNWTXCWBUHIUJN-BQBZGAKWSA-N	248.304	-0.699	50	10	BBGE	
CCN1CN(S(=O)(=O)CCl)CC1=O	831254891	DGSHIKAQZIZVSD-UHFFFAOYSA-N	226.685	-0.366	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	844279377	NNBHDARVMFXOAC-HRDYMLBCSA-N	237.259	-0.483	50	10	BBGE	
CN(NC(=O)C1(N2CCOCC2)CC1)C1CC1	868962302	UNBAZFHHRMZBFG-UHFFFAOYSA-N	239.319	-0.023	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNc2ncccn2)C1=O	900112165	SXQPHFBMCHHFHF-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
CNC(=O)NNC(=O)C(C)(C)n1cnc(C)c1	900352734	JJPNWSLSQNZTGH-UHFFFAOYSA-N	239.279	-0.113	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(C)C[C@@H](O)CN1C	908115168	NKOGXDNDQKWYPE-KOLCDFICSA-N	245.323	-0.949	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	1292009656	DMRIWMGZNFUZCJ-JGVFFNPUSA-N	237.263	-0.516	50	10	BBGE	
Cn1cc(CCC(=O)NN=c2cc[nH]cc2)nn1	1347749428	ATJIFCYQNHRIMV-UHFFFAOYSA-N	246.274	-0.292	50	10	BBGE	
CCn1cc(C(=O)NNc2ccncn2)nn1	1449871023	BQOGGONIDUEESB-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CCN(CC#N)CC(=O)NNC(=O)C(C)C	1473134547	AZDCHWBAGFCSOR-UHFFFAOYSA-N	226.280	-0.365	50	10	BBGE	
COCC#CC(=O)NNc1ccncn1	1638708974	NTZLHICLYYVBOJ-UHFFFAOYSA-N	206.205	-0.431	50	10	BBGE	
C[C@H](Cl)CNC(=O)CNCC(=O)O	1866110210	SOAWHPZFBOGLAP-YFKPBYRVSA-N	208.645	-0.596	50	10	BBGE	
CS(=O)(=O)NOCCBr	1879975004	FLOMGTZJGVLWLA-UHFFFAOYSA-N	218.072	-0.138	50	10	BBGE	
CC(C)(C)OC(=O)NC1(C(=O)NN)CC(O)C1	1880072016	LASJWRBBFGTZAT-UHFFFAOYSA-N	245.279	-0.606	50	10	BBGE	
N[C@H](CBr)[C@@H]1CNCCOC1	1880234820	UUTSRKIWRLKKFN-RNFRBKRXSA-N	223.114	-0.055	50	10	BBGE	
N[C@@H](CO)C(=O)NC[C@H]1C[C@@H]1Br	1881354016	RCRMZSJMQMORKP-SRQIZXRXSA-N	237.097	-0.794	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)C[C@@H](O)C1	1882571440	ACADZWSLISIWSE-XLPZGREQSA-N	204.657	-0.455	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1882906043	DAFRFVZQZJDNOJ-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1CC[C@@H]1O	1884169572	FAPZGTUHQXWWTP-RQJHMYQMSA-N	227.713	-0.085	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(OCCO)C1	1893470167	QCSJDNHNPVMGSV-JGVFFNPUSA-N	219.668	-0.167	50	10	BBGE	
O=C(O)[C@H](O)CCNC(=O)[C@H]1C[C@H]1Cl	1893475448	UJYHVIVOSUORKX-KVQBGUIXSA-N	221.640	-0.435	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1COC[C@@H]1O	1893498219	QISHYXFLYINVNR-GONBATFASA-N	219.624	-0.816	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H]1CN2C	1896272515	VPSDNARXMXUACG-XKNYDFJKSA-N	226.324	-0.611	50	10	BBGE	
CC(C)(C)[C@@H]1CC[C@@H]1NC(=O)C#CB(O)O	1902698761	ZNFYPKMDVVJLAC-BDAKNGLRSA-N	223.081	-0.057	50	10	BBGE	
C/C(C(=O)O)=C(\C)C(=O)NNCCO	1903062452	DWWCHAHUPMLOJE-WAYWQWQTSA-N	202.210	-0.980	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	1904371317	UFAIRRJPHKLCTN-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@H]1CO	1911478941	LVNDQHHZCHYWOI-VWYCJHECSA-N	243.351	-0.049	50	10	BBGE	
C=CCC(=O)Nc1ncccc1B(O)O	1913621372	SKAONJUOHLCACL-UHFFFAOYSA-N	206.010	-0.724	50	10	BBGE	
NNC(=O)c1cccc(CN2CC(F)C2)n1	1917252332	XBIRJYXMVWOOPF-UHFFFAOYSA-N	224.239	-0.161	50	10	BBGE	
CN(CCF)Cc1ccc(B(O)O)cc1	1917269049	OWSVUICANCEWAV-UHFFFAOYSA-N	211.045	-0.232	50	10	BBGE	
COC[C@H](C)NC(=O)NNC(=O)C(F)(F)F	1923394472	PSCAEPAMAZHRDK-BYPYZUCNSA-N	243.185	-0.086	50	10	BBGE	
NNC(=O)COCCN1C2CCC1CC2	1928178321	FHDXNDIQDHEPLK-UHFFFAOYSA-N	213.281	-0.380	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]1CO	1929739873	BPZZRRFHSVENFN-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CO)CN(C)CC1(C(=O)NN)CC1	1931258898	IPLGCLAQPPOOSM-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)CCC(=O)NN	1932312386	IKDWTJIFSZYQCP-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](O)C12CCC(CC1)N2CC(=O)NN	1932849027	VYQDJOKWPGRPDK-JEUQWKINSA-N	213.281	-0.646	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C1CSC1	1936305578	AOINRKUOOQGRKJ-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1CCOC[C@H]1Cl	1937147069	RWCFGPYMLZJPII-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H]1C(F)(F)F	1937817229	WCGAZTZBGZWDBI-WDSKDSINSA-N	241.213	-0.372	50	10	BBGE	
NC(=O)C1(NC(=O)NC(=O)CCl)CCCC1	1939290998	IYKRVKWZNYWEED-UHFFFAOYSA-N	247.682	-0.151	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H]2COC[C@H]21	1940891086	JNPQJXIBKJOHKJ-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
Cc1cnn(C)c1CN(C)C[C@H](C)C(=O)NN	1945337323	NPXCFZDKTOAPHW-VIFPVBQESA-N	239.323	-0.214	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)CC1(C(=O)NN)CC1	1945884343	OYBNMAJABXPWNI-QMMMGPOBSA-N	242.323	-0.930	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCCCO1)C(=O)NN	1947249426	QYDDZNKZHDHQKW-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
OB(O)c1csc(Sc2ccncn2)n1	1961710903	XZTMMHFMBBMIQF-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ccc(B(O)O)cn1	1976030699	XDEHNPQZHWXCBC-ZETCQYMHSA-N	222.053	-0.254	50	10	BBGE	
CN(Cc1ccc2nncn2c1)C(=O)NN	1976508619	DYVQJUFDRRTGNV-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CCC(O)CC1	1976629657	PWRXAORJYIBDBH-XNWIYYODSA-N	229.324	-0.010	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCN2CCC[C@H]1C2	1978623953	SSYVEXMORIMDSS-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@H]3C2)nc1	1981413126	BOZBRKFVNILPQI-SFYZADRCSA-N	219.053	-0.997	50	10	BBGE	
CC(C)(CN1C[C@@H](CO)[C@@H](F)C1)C(=O)NN	1983561139	YKEIBPJHFWPNEG-YUMQZZPRSA-N	233.287	-0.735	50	10	BBGE	
CC(C)CC1(O)CN([C@H](C)CC(=O)NN)C1	1987882187	YDVRKTBKQYOROS-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCC(=O)N(C)C	1987933103	SSXXGGULENSEJQ-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccncc1O	1991337423	NACVKPTXAVRHHO-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)C=CC(=O)Cl	1991650552	NTCNJQMNWLQZPK-PJKMHFRUSA-N	246.694	-0.071	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)[C@@H](CO)C1	1991651690	VJRDIPIXPPWELJ-MRVPVSSYSA-N	246.694	-0.557	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNC[C@H]1C(=O)O	1991714619	JGENPOZWVJEKNJ-IPWVHJGXSA-N	246.650	-0.807	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1992865646	IANZOBGMSNXFRQ-ACZMJKKPSA-N	229.041	-0.925	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CC[C@H](O)CC1	1997585785	JYWMEPKYUQJAPK-MGCOHNPYSA-N	241.335	-0.008	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)N1CCC1	1998339988	KYHAHPJEACCTAG-UHFFFAOYSA-N	238.027	-0.257	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)C2O	2002479297	ZLMHXQOQSOLMMX-UZJMVKBUSA-N	241.335	-0.296	50	10	BBGE	
C=C1CON(Cc2c(C(=O)NN)cnn2C)C1	2003505845	JJZJQZNTHWYTDC-UHFFFAOYSA-N	237.263	-0.673	50	10	BBGE	
CCN(CCC1CC1)c1ncc(B(O)O)cn1	2004920390	JPVWJEFTALBNPV-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1nc(N(C)[C@H]2CC2(C)C)ncc1B(O)O	2004971100	MECPMVGPJRALAB-VIFPVBQESA-N	235.096	-0.300	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@H]32)n1	2005014830	RGIDYBPXHACNMK-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)ccc2=O)CCCO1	2008840535	NXSSLRXQUNLZCI-NSHDSACASA-N	237.064	-0.903	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CN=[N+]=[N-]	2009442680	FZEPMEJOACXHBN-QMMMGPOBSA-N	240.267	-0.072	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccccc1B(O)O	2022196995	WCAFGKCIGLDUCT-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@]1(CN2CCC(O)(C#N)CC2)COCCN1	2023003656	UCLJVXWROGESSG-LLVKDONJSA-N	239.319	-0.285	50	10	BBGE	
COC[C@H](C)COc1ncnc(C)c1B(O)O	2026080347	QTVOBEGJGYRPCY-ZETCQYMHSA-N	240.068	-0.874	50	10	BBGE	
CCOCC1CN(Cc2ccc(B(O)O)cc2)C1	2047177777	PWCQRQZTPUWDAS-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H]3C[C@@H]3C2)n1	2050241294	HFDYCFZOCYTQFF-DTWKUNHWSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1ccc(N2CC[C@]3(CCCO3)C2)nc1	2052473253	VFUJKENCUMLTHU-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
Cc1ncnc(N2[C@H]3CCC[C@H]2CC3)c1B(O)O	2052550191	OWFLCEYUOIVQQW-UWVGGRQHSA-N	247.107	-0.014	50	10	BBGE	
O=C(NCCc1ccc(B(O)O)cc1)N1CCC1	2058047900	ZMVQQVXTHJEQPA-UHFFFAOYSA-N	248.091	-0.676	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(B(O)O)c1C	2060019691	XBQYIJKIRMZNMP-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCc1cc(OC)cc([N+](=O)[O-])c1B(O)O	2060055557	XVGXSBPLGLMHMB-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(C=O)c(B(O)O)cc1[N+](=O)[O-]	2060264779	DTLUJQCQQLKRIU-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CCN(C[C@H]1CC[C@H]1C(=O)NN)OC	2209906587	KZXOIRXCMWEGLL-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2212337422	PWIWKDFFAGPAFY-JKUQZMGJSA-N	233.218	-0.522	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C[C@@H](C)CO)C1	2212360347	CLZJFYACWXRUMR-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2213025289	JVEWQQITFYTBTO-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C[C@@H](O)[C@@H]1C	2214809275	JXRQSPFPZLPGJR-KHQFGBGNSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@@H](CO)C1	2215777019	QFGPVUFMRKMYJQ-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1cncnc1OCCCCC(F)F	2216406210	OFZRCWOMIOSURL-UHFFFAOYSA-N	246.022	-0.029	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCO1	2217177611	KXLODJLHVRTODU-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
C#CCN(c1ncccc1B(O)O)C1CSC1	2217179741	NXOKLPQSVCIHKX-UHFFFAOYSA-N	248.116	-0.684	50	10	BBGE	
NC1(COc2cc(B(O)O)ccn2)CCCC1	2217187359	XBWZGCJJLBBSIQ-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@@H](CN(C)C)Oc1nccc(B(O)O)c1F	2217191458	JWVJNFDCDUOYDM-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
C[C@@H](N)C1(COc2ncccc2B(O)O)CC1	2217194240	SRPJLLHHVLQFDS-MRVPVSSYSA-N	236.080	-0.732	50	10	BBGE	
CN[C@H]1CCC[C@H]1Oc1cc(B(O)O)ccn1	2217196713	UAPWFRNRVBBVPI-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNc1ncccc1B(O)O	2217204035	DMPYLBJDKVSAOZ-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220062311	GVWHCMFGRHNYCQ-CMPLNLGQSA-N	248.135	-0.465	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cncn1C	2223637676	RFVOEIUVNYQRLX-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)N(C)C1CC1	2223642170	GJOIPHFKPRHEBM-SECBINFHSA-N	249.123	-0.922	50	10	BBGE	
OB(O)c1ccnc(OCCc2ccccn2)c1	2223655651	CIODVUDYQUMPLR-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@]1(C)CN	2223679856	VMKNKVCXGDGCOZ-SKDRFNHKSA-N	249.123	-0.818	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H]1[C@@H](O)CO	2241811897	VHUBOVLEYQOPGL-XVMARJQXSA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](CN1CCC=C[C@@]1(C)CO)C(=O)NN	2242609401	SVZYKVZBNSHFEQ-ONGXEEELSA-N	227.308	-0.375	50	10	BBGE	
CC(F)(F)CCCCNC(=O)C#CB(O)O	2243349556	NDFGJRLODGDZJY-UHFFFAOYSA-N	233.023	-0.057	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C[C@H]21	2243362770	WGZQKZPFRKRSAU-POYBYMJQSA-N	221.021	-0.806	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1nscc1B(O)O	2243409883	QKNAKAQOVYNJSA-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
COc1ncc(C(=O)NNCCO)cc1Cl	2244579658	LHDDMKIXDNPEQC-UHFFFAOYSA-N	245.666	-0.030	50	10	BBGE	
C[C@@H]1O[C@@]2(CNC(=O)C#CB(O)O)CC[C@H]1C2	2247743230	AXHFCWXBGOGUFH-QXEWZRGKSA-N	237.064	-0.924	50	10	BBGE	
CCON(C(=O)c1ccc(B(O)O)o1)C(C)C	2247747569	PFLZYKKCWSGTOK-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)C1(B(O)O)CC1	2247753105	BOBYPTJMQPPOSX-RKDXNWHRSA-N	240.112	-0.456	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2occc2B(O)O)CC1	2247754071	DNXXVGKSNXRBTM-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccc(B(O)O)cc1F	2247759597	TXINMMMBZGDLBY-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
C=C(C)CNC(=O)c1cccc(B(O)O)c1C	2247760816	OBNIJQNNJNIVEO-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCC1CC1	2247761742	WXRPNUKEBGDKKN-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H](O)C[C@H]2C1)C1(B(O)O)CC1	2247764550	VELQFKHYAOVFHP-AYMMMOKOSA-N	239.080	-0.777	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796684	BVXLHEYQDXAZPX-KYXWUPHJSA-N	243.112	-0.095	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCNCC1	2247796792	CUCZCIIIMAAFJZ-SFGNSQDASA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247804318	GHTNPODTDLUTGJ-JDDHQFAOSA-N	239.080	-0.921	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809965	SQPYZXMQOBFUJX-GUBZILKMSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC1CC2(CCN2)C1)[C@@H]1C[C@@H]1B(O)O	2247809983	SWCJEGLXKLGAST-GWMJWBFUSA-N	238.096	-0.892	50	10	BBGE	
O=C(NC1CC(CF)C1)c1coc(B(O)O)c1	2247856989	PNCKKGYHLMNNHK-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)C1CC(B(O)O)C1	2247858679	HCFOFMDSJZGBDL-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H](O)[C@@H](F)C1	2247859757	OUJDQQWAMKUCBA-UYXSQOIJSA-N	245.059	-0.829	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1C[C@H]1C	2247867710	LCCACDSNZLCZGZ-SVRRBLITSA-N	237.064	-0.346	50	10	BBGE	
C[C@H]1CC[C@](O)(CNC(=O)C2(B(O)O)CC2)C1	2247873789	LYVIDJYCPBMQJQ-WCBMZHEXSA-N	241.096	-0.339	50	10	BBGE	
Cc1oncc1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247895784	VIOMOKMYAGTNQN-IUCAKERBSA-N	238.052	-0.495	50	10	BBGE	
C[C@]1(CO)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898922	ISIMQQVHJLZRCQ-QXEWZRGKSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1N	2247904896	RJIWXNFQAOCEEV-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
O=C(NCC[C@@H](F)C(=O)O)C1CC(B(O)O)C1	2248586853	IHXQPGMQPRXWAW-KPGICGJXSA-N	247.031	-0.832	50	10	BBGE	
CCN(C[C@H](C)C(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248589911	WRSKSQRXCXFYKP-XLPZGREQSA-N	243.068	-0.582	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NCCC#CB(O)O	2250007965	GOEKPWUYFOYGRJ-VIFPVBQESA-N	241.096	-0.288	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@@H]1C1CC1	2255453453	HSZPFEAZNBZWDJ-LLVKDONJSA-N	246.075	-0.614	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ncc(B(O)O)cn1	2255471654	WFTQILOVTTUZAV-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(C)c(B(O)O)c1	2255510678	ZFPODXHSESADLF-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
CCC/C=C/CNC(=O)c1ncccc1B(O)O	2255521779	ARADSEITHRHWSL-SNAWJCMRSA-N	248.091	-0.153	50	10	BBGE	
O=C(N[C@@H]1CCC12CCC2)c1cc(B(O)O)n[nH]1	2255553293	WWVVGUHBGWNCAK-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCc2nc[nH]c2C1	2255565442	UJQBHEGADHLDDE-UHFFFAOYSA-N	249.079	-0.453	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOc2ncccc21	2255579658	UBSZYTPBNUMBFG-YUMQZZPRSA-N	248.047	-0.330	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](c2cn[nH]c2)C1	2255681532	TUBGWLFZJSIYFM-VIFPVBQESA-N	247.063	-0.869	50	10	BBGE	
C=C1CCCN(C(=O)c2cc(B(O)O)cn2C)C1	2255735772	ACOUXVCIUZWATK-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]1C1CC1	2258142243	CUEUXNDACYEFTG-LLVKDONJSA-N	249.075	-0.026	50	10	BBGE	
C[C@@]12CC[C@@](C)(CN1c1ncncc1B(O)O)C2	2259337087	DPAXDHAKXRZNJE-NEPJUHHUSA-N	247.107	-0.075	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1O2)C1(B(O)O)CC1	2298368140	PLNUARJOTRXIHX-HRDYMLBCSA-N	239.080	-0.323	50	10	BBGE	
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C	2298370889	QGLFSQKJAHJTSV-OPRDCNLKSA-N	242.128	-0.448	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H]1O	2298371712	SMJKCHCUORXHLD-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1CC(=O)NNC(C)=O	2299235865	ZENUWPKYYIHGFS-ZJUUUORDSA-N	241.291	-0.835	50	10	BBGE	
CC[C@H](O)CNc1ccc(B(O)O)cc1C#N	2301338966	OJITUDIFEOLKAZ-JTQLQIEISA-N	234.064	-0.579	50	10	BBGE	
CC[C@@](C)(Cn1nc(C)ccc1=O)C(=O)NN	2303437188	HVRGZFUCGNYKIW-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]1[C@@H](O)C2	2306283382	LYCYAPZIFCFHTF-FXQIFTODSA-N	249.261	-0.543	50	10	BBGE	
O=Cc1ccc(OC[C@@H]2CCNC2)cc1B(O)O	2317312232	DCXZTXHAERXYJB-SECBINFHSA-N	249.075	-0.833	50	10	BBGE	
COCCNC=C(C#N)C(=O)N[C@H](C)C(=O)O	2324969240	FLAHDQQFYUUSDT-SSDOTTSWSA-N	241.247	-0.781	50	10	BBGE	
NNC(=O)c1ccc(Cn2cnc(N)n2)o1	105321	CZTVBPFHHYOEPW-UHFFFAOYSA-N	222.208	-0.895	50	10	BBGE	
NNC(=O)c1nc2ccccc2nc1N	38672858	YLKAHQDPCCGYSS-UHFFFAOYSA-N	203.205	-0.185	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@@H](N)C1	70596892	OYHLCDWQVDDNIG-SNVBAGLBSA-N	228.340	-0.040	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)[C@H](C)CO1	82467587	BIPCGOPLWWDRNW-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(N(C)C)CC1	82467659	KSLRNCLSGWKSEZ-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCS(=O)CC1	82469747	SYEPVYOKVMAHGW-QMMMGPOBSA-N	233.337	-0.935	50	10	BBGE	
C[C@@H](CN1CCN(C2CC2)CC1)C(=O)NN	82471201	CUAKRGVQLLGEBJ-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](CNC(=O)CCl)c1nnn[nH]1	95226919	VKQZPQWDDQPQGC-BYPYZUCNSA-N	203.633	-0.342	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](C)CCC(=O)NN	110589125	RSWAHXCUCLEPJL-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
CN1CCC[C@H](CN2CC(=O)OC(=O)C2)C1	111218114	PZFLOZIMOJHYAE-VIFPVBQESA-N	226.276	-0.286	50	10	BBGE	
O=C1CN(CCOCC(F)(F)F)CC(=O)O1	111597694	ADDSJESNGRCFFA-UHFFFAOYSA-N	241.165	-0.049	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NN	140532182	MSDMRVZQWDCLCT-LURJTMIESA-N	233.268	-0.748	50	10	BBGE	
CN(C)NC(=O)c1csc(CN)n1	147289733	WFZMWQHLRLBBSQ-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C=C[C@H](C(=O)O)C1	149127120	PCKNGQSZTCUCNC-NKWVEPMBSA-N	213.237	-0.209	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CCC(=O)NN)C1	159485804	YKGWTDKWMWZSDE-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CNCC(=O)NNC(=O)CCC(C)C	193129218	WHDINEKFNUBOFY-UHFFFAOYSA-N	201.270	-0.211	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1O	230357162	IOTPEGWVSPBHTP-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
CNC(=O)CN(C)S(=O)(=O)CCCl	232295052	INNVPFLAFIRRKM-UHFFFAOYSA-N	228.701	-0.767	50	10	BBGE	
N#C[C@H]1CN(S(=O)(=O)CCCl)CCO1	232300443	ZIXGBUFZSIOPFH-ZETCQYMHSA-N	238.696	-0.221	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@H](C)[C@H](C)C(=O)NN)C1	252780804	QYJFFDAOVICCCC-QCLAVDOMSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	252918334	CKUTVNOOQCUAOQ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CN(C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1	258849561	XHAZWJRCOFXGCL-UHFFFAOYSA-N	221.220	-0.124	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)[C@H](CO)C1	306185875	APZGYKAQJDMZLJ-LYFYHCNISA-N	207.657	-0.575	50	10	BBGE	
OC[C@@H]1CN(CCBr)C[C@@H]1O	306474693	WANWVGPVGOILOY-BQBZGAKWSA-N	224.098	-0.334	50	10	BBGE	
Nc1cc2c(B(O)O)ccc(O)c2s1	306728906	KHMHGWPXWADMCS-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1COC[C@H]1Cl	307041951	LJFMXDALMLEFHF-PHDIDXHHSA-N	241.696	-0.847	50	10	BBGE	
Nc1cc(B(O)O)c2cc(O)sc2c1	307171349	OABGBYTZCWBMMD-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COCCn1cc(-c2cccc(B(O)O)c2)cn1	310641550	UCGKLNUHBHCESZ-UHFFFAOYSA-N	246.075	-0.124	50	10	BBGE	
N#Cc1ccc(B(O)O)c(CCC=O)c1	396089570	FLBWCLDAJYZGTI-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#Cc1c(B(O)O)cc2sccc2c1CO	396216777	HNSQHUHLUNOMHV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	690068040	UNQHTJNRZJYBLK-VHSXEESVSA-N	235.048	-0.660	50	10	BBGE	
Cc1c(COc2cncc(B(O)O)c2)cnn1C	690804963	JOMBBHMINJJOOC-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCn1ccnc1Cn1nc(C)c(B(O)O)c1C	692857710	BZGSLSKBIPSDAK-UHFFFAOYSA-N	248.095	-0.556	50	10	BBGE	
C[C@H](CN1CC2CC1(CO)C2)C(=O)NN	694583151	MIWLZPGMKADUDL-ZNFPMYQNSA-N	213.281	-0.931	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@H]1CCO	694926749	YGUFSFYCKQZGJF-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC1CN(C)C1	695049280	OXFDEAVKTBCKTG-NSHDSACASA-N	242.367	-0.116	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCO[C@H](CO)C1	695059864	JMQAPGGPXVUQLV-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
Cn1cc(C[C@H](Br)C(N)=O)nn1	701473932	STDFVPXOZMAZKW-YFKPBYRVSA-N	233.069	-0.394	50	10	BBGE	
O=C(CCl)N1C[C@H](CO)[C@@H](CO)C1	705326994	BKAHGPTXMIKUFU-RNFRBKRXSA-N	207.657	-0.716	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	706171944	SMQOUZBHUPUOOZ-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CN(Cc1nnnn1C)[C@@H]1COC[C@H]1Cl	709149231	FVWBVROUMATXAJ-RNFRBKRXSA-N	231.687	-0.352	50	10	BBGE	
C[C@@H]1CCN[C@@H]1C(=O)N1CCC(O)(C#N)CC1	709384209	GLYVEESYJWAVIO-ZJUUUORDSA-N	237.303	-0.139	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710326063	RNEAIAUOKONJBU-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](O)[C@H](C)C1	710858660	YEWWCCCLJOGLAM-VROVMSAKSA-N	243.307	-0.898	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)[C@@H]1CCCOC1	723863233	BEVGLLFGSJSBDD-SFYZADRCSA-N	229.280	-0.702	50	10	BBGE	
NNC(=O)c1nc(CN2CCCC2=O)ns1	724347123	CVRXODKLCVWDNK-UHFFFAOYSA-N	241.276	-0.736	50	10	BBGE	
Cn1ncc(C=NNC(=O)[C@H]2CCCO2)n1	814940393	JDHFOGCTFAJSSR-MRVPVSSYSA-N	223.236	-0.556	50	10	BBGE	
CNC(=S)N(C)NC(=O)CN1CC[C@@H](C)C1	854920666	GVWKVYBQDJRLJN-MRVPVSSYSA-N	244.364	-0.205	50	10	BBGE	
O=C(COCC(F)F)NNc1nc[nH]n1	863916944	OOTRBWYTULRWTI-UHFFFAOYSA-N	221.167	-0.471	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)n1C	912677060	LTWQAGCPESHOPU-BWVDBABLSA-N	249.274	-0.208	50	10	BBGE	
CN(CCCl)[C@@H]1C[C@@H]2NNC(=O)N2CN1	953026842	NZBNZFWHVDVADZ-RNFRBKRXSA-N	233.703	-0.710	50	10	BBGE	
O=C(CCc1nc[nH]n1)NNc1ccncn1	1141130811	CTHJUCISWZAMQZ-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncon1	1157784021	VSRQBCJSUWRSOB-PHDIDXHHSA-N	240.219	-0.744	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cnn(C)n1	1292237391	BHTRQCILAXMUJJ-UHFFFAOYSA-N	226.240	-0.831	50	10	BBGE	
O=C(Cc1cccnc1)NNC(=O)CC1COC1	1464968818	LAKPTKQJVKAVDL-UHFFFAOYSA-N	249.270	-0.192	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1ccncc1	1628452212	CLENALWWPAESIS-JTQLQIEISA-N	248.286	-0.063	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)CCCl	1882409694	WFBVHEAZGXPBQJ-ACZMJKKPSA-N	227.713	-0.086	50	10	BBGE	
CC(=O)N[C@H](C)c1nscc1B(O)O	1886863118	VWJQSKVAPMWWNC-SCSAIBSYSA-N	214.055	-0.980	50	10	BBGE	
CCC[C@H](NC(=O)C(=O)NN)C(F)F	1888132774	UKDFYIOGPJHYCZ-BYPYZUCNSA-N	209.196	-0.474	50	10	BBGE	
N[C@@H]1CCN(C(=O)C=CC(=O)Cl)C[C@H]1CO	1897219208	GBXMZJRKXJLTLO-JGVFFNPUSA-N	246.694	-0.524	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(CCO)C1	1901763572	PHZBSQGMSFRJQR-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C=C(F)CNC(=O)c1csc(C)c1B(O)O	1902863763	CYIAGGPCWDXKFS-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
C[C@@H](CN1CC=CC[C@@H]1CO)C(=O)NN	1909020136	ZCOIYYYRBPMALZ-DTWKUNHWSA-N	213.281	-0.765	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@H]1CO	1909057786	WHZNBJQCRMUVTP-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
C[C@H](Cn1ccn2nccc2c1=O)C(=O)NN	1912216831	WMHLOJZJTGXQAE-SSDOTTSWSA-N	235.247	-0.878	50	10	BBGE	
CN(CCCCC(=O)NN)C(C)(C)C(N)=O	1915525092	VBDUUTCBPSDCIZ-UHFFFAOYSA-N	230.312	-0.658	50	10	BBGE	
O=C([C@H]1COCCO1)N(CCCl)C1COC1	1915652590	XSJIWNXDHLRSLN-SECBINFHSA-N	249.694	-0.132	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)C(F)(F)F	1923407928	LRHUQYHUFLXJDC-UHFFFAOYSA-N	237.137	-0.073	50	10	BBGE	
O=C(NNCCO)C1CC2(CSC2)C1	1929833737	OYSXXPOWVDICLC-UHFFFAOYSA-N	216.306	-0.257	50	10	BBGE	
C[C@@]1(O)CON(S(=O)(=O)CCCCl)C1	1930279438	ZIDXAISEOULTFN-ZETCQYMHSA-N	243.712	-0.057	50	10	BBGE	
CN1CCC[C@@H](CC(=O)NNC(N)=S)C1	1931359823	JYMOCMIPJYLVER-ZETCQYMHSA-N	230.337	-0.417	50	10	BBGE	
OB(O)c1cnn(CC2[C@H]3CCCC[C@H]23)c1	1937643990	OOIJDXDJKIDQFQ-UWVGGRQHSA-N	220.081	-0.001	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NC[C@H](O)CF)[nH]1	1937669055	MJYAHDPKYQPNQT-RFZPGFLSSA-N	249.677	-0.252	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC(F)(F)CO	1938123129	WTLCMTUAEUHESH-ZETCQYMHSA-N	239.266	-0.440	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CC[C@]2(C(=O)O)C1	1938370659	RQFUBRGXCCFRGA-XCBNKYQSSA-N	227.264	-0.031	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2CC[C@H]21	1938601518	SAZVVIXDNNEPRM-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](N(C)CC)C1	1939076503	QOXUEOYJFKJLKR-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2COC[C@@H]2C1	1941092799	MFPYCWOWXGBTNT-VPOLOUISSA-N	239.319	-0.419	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@]2(CCCO2)C1	1941394947	TZGVBWIYSPVISK-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
O=C(CNC(=O)c1ccccc1)NNCCO	1944214938	BCKCOAPMNLCWOP-UHFFFAOYSA-N	237.259	-0.971	50	10	BBGE	
COC[C@H]1[C@H]2CN(CCCC(=O)NN)CC[C@H]21	1944580186	MTFOQQANJCIBQB-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCN3CCC[C@@H]3C2)CC1	1945894921	WYFHZHXMEMHEPN-SNVBAGLBSA-N	238.335	-0.464	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@H]1CO	1953433785	GKFPSFOVOAEXIM-NTSWFWBYSA-N	213.686	-0.475	50	10	BBGE	
Cc1ocnc1CN(C)[C@H](C)C(=O)NN	1958689446	FKECAFJMWVTCJM-ZCFIWIBFSA-N	212.253	-0.207	50	10	BBGE	
C[C@H]1C[C@@H](Oc2nc(B(O)O)cs2)CO1	1961697848	ZAKCXWJUOCDIKF-NTSWFWBYSA-N	229.066	-0.621	50	10	BBGE	
C[C@@]1(C(F)(F)F)CNC[C@@H]1C(=O)NN	1968304105	ASUCDZSVBHSHEY-INEUFUBQSA-N	211.187	-0.236	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CSC1	1976031448	HUOHFOHGLSCYGX-UHFFFAOYSA-N	238.077	-0.937	50	10	BBGE	
NNC(=O)CCCN1CC(F)(F)C[C@H]1CO	1976198704	WKERAIZKDBZEEH-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
CC1(C)C[C@H](CCNC(=O)C(=O)NN)CO1	1976343715	XSTMOMIDIFPIHC-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
NC(=O)NNC(=O)C1=S=Nc2ccccc21	1976551744	WIWYKQKZDUDSGN-UHFFFAOYSA-N	236.256	-0.182	50	10	BBGE	
CN(CC(=O)NN)C[C@]12COC[C@@H]1C2(F)F	1977407265	RJUNMLYHGCNELI-XPUUQOCRSA-N	235.234	-0.810	50	10	BBGE	
Cn1nnnc1CNCC[C@H]1COC[C@@H]1Cl	1979873790	AUXVRLVWSUUCKZ-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@@H]2CC[C@H]21	1980228556	MNLMJUAEAHRYME-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C2CCCC2)C1	1981090100	ZQXMYKAKJIAAAR-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1C(F)F	1982687768	VMHZMCHARLBJJF-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
CC[C@]1(C)CCN1c1ncncc1B(O)O	1982945397	VRIDJHSLPFEOSP-SNVBAGLBSA-N	221.069	-0.465	50	10	BBGE	
CC(C)(CCN1C[C@H]2COC[C@H]21)C(=O)NN	1987061337	MMAWVXKGBBIJCN-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CC(F)(F)c1cc(C(=O)NCB(O)O)no1	1989782696	SCUKLXYKROUARJ-UHFFFAOYSA-N	233.967	-0.472	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COCC[C@H]21	1989934242	BCCAZVACWLYNGP-UTINFBMNSA-N	225.292	-0.667	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)C(=O)C=CC(=O)Cl	1991649451	BZXZDXPSTWJCBN-YUMQZZPRSA-N	249.694	-0.102	50	10	BBGE	
O=S(=O)(CCCC1CC1)NCC#CB(O)O	1992136621	ZRTNEWVTQMKHEX-UHFFFAOYSA-N	245.109	-0.889	50	10	BBGE	
CC[C@H](CCOC)C(=O)NCC#CB(O)O	1992152516	GIBQUOBGBGUNES-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
C=C(CN1CC[C@@H]2CCOC[C@@H]2C1)B(O)O	1992159612	NGBXNUJWAKJYRD-MNOVXSKESA-N	225.097	-0.087	50	10	BBGE	
O=C(NCc1sccc1B(O)O)C1(F)CC1	1994973600	OGUQUVUOMSOCNR-UHFFFAOYSA-N	243.068	-0.454	50	10	BBGE	
CC1(C)C[C@]1(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998130160	GLKKSSGGFNKASA-QUBYGPBYSA-N	243.068	-0.535	50	10	BBGE	
NNC(=O)CCCN1CCCN(C2CC2)CC1	2003817675	JUXFRYLPUIPYIS-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCCNC1=O	2004247994	QVCMQLSJRAHGOG-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
CCc1nccn1-c1ncc(B(O)O)cc1F	2005007258	CKNYHXOTUWOCJD-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
COCCCN(C)c1ncc(B(O)O)cc1F	2005013939	DERLDGNVSFEOFJ-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
CC(C)(CCN1CC[C@@H]2[C@@H](O)C[C@H]21)C(=O)NN	2008725795	DEAJDESPDCLLCL-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(F)C1CN(c2ncncc2B(O)O)C1	2009075243	IILDKMZOQLEXNQ-UHFFFAOYSA-N	239.059	-0.659	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(C)CCCO1	2017098269	QYPJGJZPUBHQLJ-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	2022195854	BTRWRSBXBRJDGH-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
CN1CCN(Cc2ccc(B(O)O)cc2)[C@H]2C[C@H]21	2049379332	ITVRFMIQGXYGTM-OLZOCXBDSA-N	246.119	-0.745	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCC[C@H]2C3)n1	2052623209	GJGONPBBJLWPKS-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CCc2cccc(B(O)O)c21	2055629653	BFLGYBMRTLTTHG-PSASIEDQSA-N	249.050	-0.387	50	10	BBGE	
N#Cc1c(Cl)ccc(C=O)c1B(O)O	2060092673	DREKJFOUCAYODH-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(B(O)O)cc(OC(F)F)c1C#N	2060292628	JPSQDJYICCDCBK-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
OB(O)c1ccc(N2Cc3cncnc3C2)nc1	2085311894	XAKWFYAWYGHODI-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
CO[C@H]1C[C@H](Nc2ncccc2B(O)O)C1	2212600934	GJZWIDBVVIQBMO-ZKCHVHJHSA-N	222.053	-0.649	50	10	BBGE	
C#C[C@@H](CCC)Oc1cc(B(O)O)ccn1	2212609845	YCWMRYUVOPYEMC-JTQLQIEISA-N	219.049	-0.058	50	10	BBGE	
C[C@@H](CN(C)C)Nc1cc(B(O)O)ccn1	2212610737	OEWWFOVNBHYGTK-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
CN(C)C1(C)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215778428	ZCLNWCGFJDAUGO-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCNC2)c1F	2217181352	ORBOKJRUCHNDCK-SSDOTTSWSA-N	239.059	-0.936	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1nccc(B(O)O)c1F	2217183612	JUWRCEGQIGTRNI-SVRRBLITSA-N	240.043	-0.653	50	10	BBGE	
CN(C)CC(C)(C)Nc1ccc(B(O)O)cn1	2217200264	IYWNKDUWRLUEFP-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
C[C@H](CC(F)(F)F)Nc1ncc(B(O)O)cn1	2217201919	GHQOODLZWXDDFB-RXMQYKEDSA-N	249.001	-0.091	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ccon1	2217204753	OMAPETIXIQAKLR-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
Cc1cnc(N(C)C2(CN)CCC2)cc1B(O)O	2223652232	GZLRXKCXLDEWKA-UHFFFAOYSA-N	249.123	-0.613	50	10	BBGE	
CC1(C)C(=O)NC[C@H]1NC(=O)CCl	2241449384	BUUUEXDDZLEZEC-RXMQYKEDSA-N	204.657	-0.134	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1F	2243346620	BMBJKJNAYVTCNL-RQJHMYQMSA-N	227.000	-0.892	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1C1CC1	2243356910	OMUZATZYTJGMLQ-SNVBAGLBSA-N	221.065	-0.207	50	10	BBGE	
O=C(N(CCO)C1CCC1)C1(B(O)O)CC1	2243364017	PUXGUFRDLNYVHV-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CO[C@@H](CNC(=O)C1(B(O)O)CC1)CSC	2243364882	DRJBAWWDDHDLHR-ZETCQYMHSA-N	247.125	-0.512	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1NC(=O)C#CB(O)O	2243398859	ICJXKIZHWROXNF-FSPLSTOPSA-N	234.970	-0.541	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)c1nccs1	2243400533	CUMJJSSANUIGIU-ZETCQYMHSA-N	238.077	-0.274	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@H]2C[C@H]21	2243406885	HFPLMXNVJKCTKN-POYBYMJQSA-N	237.089	-0.338	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CC1)[S@@](C)=O	2243411380	SDXVZVMAHNTECT-VGDKGRGNSA-N	247.125	-0.733	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cscc1B(O)O	2243411660	XZNCDEBTIPHVRW-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
Cn1ncc(NC(=O)[C@H]2C[C@H]2B(O)O)c1Cl	2243426114	FAYZZEIXUNWFSD-CRCLSJGQSA-N	243.459	-0.125	50	10	BBGE	
O=C(NCC=C(F)F)c1ccsc1B(O)O	2243771371	LZFTVNNGTGSRBL-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
O=C(NC1(C(=O)O)COC1)N[C@H]1C[C@H](Cl)C1	2244012813	VDYBRZIWBBYVBS-IZLXSQMJSA-N	248.666	-0.091	50	10	BBGE	
C[C@H](OCCN1CCOC[C@H]1C)C(=O)NN	2244038578	YAMZPKANDCIDGL-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
COCC[C@H](C)Oc1cc(B(O)O)cnc1C	2246745979	ZCVVSSBKESJDIY-QMMMGPOBSA-N	239.080	-0.126	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1ccoc1B(O)O	2247737019	BDOWKTYWTOXQBA-HTQZYQBOSA-N	241.027	-0.420	50	10	BBGE	
C#C[C@@H](NC(=O)c1csc(B(O)O)c1)C1CC1	2247741485	ARWQRPISLLVCGC-SECBINFHSA-N	249.100	-0.431	50	10	BBGE	
CC1(CCNC(=O)c2occc2B(O)O)CC1	2247750593	LWETUAAUEMHVKV-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N1C[C@H]2CCNC[C@H]2C1)C1(B(O)O)CC1	2247760969	AVKCYCFBCWDZLS-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
CC(C)(C)CNC(=O)c1ccc(B(O)O)cn1	2247771301	VBZMKOMUBFOBHS-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247781613	MPXAKOSGQILSNA-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@H](C)N1C	2247800176	LZDLHGJKHKFZOV-JXUBOQSCSA-N	240.112	-0.600	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247851286	XSCHNQKOIYRWDZ-ZETCQYMHSA-N	236.080	-0.530	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247851491	ZEPRAEOYMNPXES-BKPPORCPSA-N	236.080	-0.531	50	10	BBGE	
CCN(CCNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247852411	UFPIQIITBXAYJG-UWVGGRQHSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cc(B(O)O)cn1C	2247869000	KBMYFCRHFXBYTD-QMMMGPOBSA-N	238.096	-0.425	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)cn2)C1	2247869047	KZEKMLCPGHLTAL-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1coc(B(O)O)c1	2247871180	XCKZEEZDKHAYLB-IONNQARKSA-N	237.064	-0.170	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CCNCC2)C1	2247888122	WHGMGWZOADSGFM-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CN(Cc1ccn(C)n1)C(=O)[C@H]1C[C@H]1B(O)O	2247894993	MZKCUUKEFXKBDR-DTWKUNHWSA-N	237.068	-0.759	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2OCC[C@@H]2C1	2247895765	BNCJSYMORBNSGV-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CO2)[C@H]1C[C@@H]1B(O)O	2247900629	YJLDWBCHSKIPMW-BQHMLIOBSA-N	239.080	-0.467	50	10	BBGE	
Cc1ccc(CNC(=O)C2(B(O)O)CC2)n1C	2248585045	FSXSQFFFKGZAEV-UHFFFAOYSA-N	236.080	-0.043	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586337	ZIJIOLQASXMQNG-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1cocc1B(O)O	2249416062	MMHVWIFLSICSNL-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249593502	XEAZXBAVXUNRBY-VAVGONKHSA-N	241.335	-0.296	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)n1C	2250008395	LKCNBIPDVJIMBW-UHFFFAOYSA-N	234.064	-0.531	50	10	BBGE	
CCC1(Oc2nc(C)ncc2B(O)O)COC1	2250817018	VKMLXHCNJPUDQN-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
CNCC[C@@H](NC(=O)C#CB(O)O)C(C)(C)C	2253128281	ZZROJFVEYQGJAL-SECBINFHSA-N	240.112	-0.858	50	10	BBGE	
C=C1CC(CNC(=O)c2ccncc2B(O)O)C1	2255449988	RTFNFNLXPOFKHW-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@@H]3C[C@H]32)oc1B(O)O	2255573002	FXSPVBVJZYDBBK-RKDXNWHRSA-N	249.075	-0.108	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1cncc(B(O)O)c1	2255714427	PXNSRGUWUBQBPE-VIFPVBQESA-N	246.075	-0.543	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1F	2255719774	NCXNLXYOVJHQDE-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255731210	BSASWBDFWVGSPJ-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N(C)CCC#N	2255736112	GUCNDFUFQAXYKT-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2cocc2B(O)O)C1	2258140439	CJXJEIUFXZYZRW-BDAKNGLRSA-N	247.059	-0.509	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@@H]2C[C@@H]2N)cc1B(O)O	2298224521	LSSFMTQIMBLPSX-NRPADANISA-N	236.080	-0.816	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@H]1C[C@H]1B(O)O	2298370441	YNRYQJMPZPINGM-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCC12COC2	2300366503	FGEJKLGDBBLCNC-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
O=C(C[C@@H]1CC[C@@H]1C1CC1)NCC#CB(O)O	2303014581	AEAGXBCJXYYDOK-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
CC[C@@](C)(COC[C@@H]1COCCO1)C(=O)NN	2303421457	RSGDHSOYFZQFFR-ONGXEEELSA-N	246.307	-0.175	50	10	BBGE	
OB(O)c1cc(N2CC=C[C@@H]2CF)ncc1F	2303835854	DADDEYHFCMESNK-SSDOTTSWSA-N	240.018	-0.385	50	10	BBGE	
CC#CCCCN=c1cc(B(O)O)c(F)c[nH]1	2303836164	IQVXWDNFRDQLEP-UHFFFAOYSA-N	236.055	-0.462	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303852320	LDHSAXHQQPEABX-DTWKUNHWSA-N	240.043	-0.841	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)C1(B(O)O)CCC1	2306868801	CJEKSBYINUKBSX-SECBINFHSA-N	242.128	-0.208	50	10	BBGE	
C#C[C@@H]1N(c2cc(B(O)O)c(C)cn2)CC1(C)C	2314552633	HEGLMJHJNXUSKC-NSHDSACASA-N	244.103	-0.082	50	10	BBGE	
C#CCC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2317351569	KMKPFDQHJVFOFH-UHFFFAOYSA-N	243.071	-0.362	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	2319322946	JCKHQZXXSDMVNA-JTQLQIEISA-N	243.071	-0.215	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)ncc1F	2320786641	AWQPRALSZATCHI-UGYAYLCHSA-N	248.066	-0.255	50	10	BBGE	
COC(=O)c1cc(C(=O)NN)c(=O)[nH]c1C	264276	RTHITQNWVKSYSK-UHFFFAOYSA-N	225.204	-0.927	50	10	BBGE	
N[C@@H](CCCNC(=O)CCl)C(=O)O	5113875	YOHUBSGWLQBGKD-YFKPBYRVSA-N	208.645	-0.467	50	10	BBGE	
NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCCCl	37834228	QSHBCPBKMCBTNN-JGVFFNPUSA-N	248.710	-0.157	50	10	BBGE	
CN(C)CCNC(=O)CNC(=O)CCCCl	41735687	MDNQCFLRGQEMEZ-UHFFFAOYSA-N	249.742	-0.201	50	10	BBGE	
CNCCN(C)Cc1cc(C(=O)NN)oc1C	70303769	ZZSSYXNNMMKYGF-UHFFFAOYSA-N	240.307	-0.157	50	10	BBGE	
COC[C@H]1CCN(C[C@H](C)C(=O)NN)C1	81121033	DDBMWKNBCXVGOZ-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2cccn2)O1	82468451	QKVDJLUDNUTSLN-JGVFFNPUSA-N	210.237	-0.579	50	10	BBGE	
CC(C)CN1CCN(C[C@H](C)C(=O)NN)CC1	110580182	DUQWAAKWQSDFHV-NSHDSACASA-N	242.367	-0.114	50	10	BBGE	
O=C1CN(CC2CCOCC2)CC(=O)O1	111217956	ZYYWQULEYBHHFV-UHFFFAOYSA-N	213.233	-0.202	50	10	BBGE	
C[C@@H](O)CN(C)CC(=O)NNC(=O)C1CCC1	156360064	YUBLODBQZGNELO-MRVPVSSYSA-N	243.307	-0.754	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C(=O)CC[C@@H]2C1	168765034	DYHBEDHHVIYWOQ-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cnc(-c2cccs2)nc1	198019794	JUASIXBVMXKEPI-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
COCCN(Cc1ccc(B(O)O)cc1)C1CC1	199006454	JRRPPHOSJDVBJE-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CC(C)(C)Oc1nc(Cl)ncc1B(O)O	211332511	ADEDMUCGBHNNLW-UHFFFAOYSA-N	230.460	-0.013	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1CO	212038975	VSWQMWPJMZRGBF-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NCCCO	216975252	UNKYUOSHDVALRE-HJWRWDBZSA-N	211.265	-0.108	50	10	BBGE	
CN1C(=O)[C@H](C=O)[C@@H](Cl)N(C)C1=O	217998725	UJOBPVZMXRSRHQ-UHNVWZDZSA-N	204.613	-0.110	50	10	BBGE	
Cc1noc(CCNC(=O)NC(=O)CCl)n1	231912806	JTSJSSHVLGYXPE-UHFFFAOYSA-N	246.654	-0.015	50	10	BBGE	
Cc1cnn(Cc2ccccc2B(O)O)c(=O)c1	235966384	PHRQNYJXINOOKH-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
NNC(=O)c1cccc(CN2CCCC2=O)n1	236226039	SMCAIMKOTQQSAE-UHFFFAOYSA-N	234.259	-0.193	50	10	BBGE	
CCOC(=O)C[C@@H](Cl)[C@@H](N)C(=O)O	238297768	AGINAYXZMPNOSE-INEUFUBQSA-N	209.629	-0.041	50	10	BBGE	
OB(O)c1ccc(-c2ccncn2)cc1	238646109	WIZLCAHTVOKXPW-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
O=C(CCl)N[C@@H](CCCO)C(=O)O	238680528	AXJCJDNFPWUGMA-YFKPBYRVSA-N	209.629	-0.433	50	10	BBGE	
O=C1NC(=O)C2(CC(CCCCB(O)O)C2)N1	255982763	KDYXQWSDWVNRMG-UHFFFAOYSA-N	240.068	-0.382	50	10	BBGE	
O[C@H]1[C@H](O)CO[C@H](F)[C@@H]1Br	306186137	JOCHESIJDDGQGG-MBMOQRBOSA-N	215.018	-0.203	50	10	BBGE	
Nc1cc2c(O)cc(B(O)O)cc2s1	306847231	JNLYJIMFEQHFGC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(C)C[C@H]1CCN(C(=O)C(=O)NN)C1	307797579	VMEAHKWJJBDKJG-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
CCOC(=O)CC(=NNC(N)=O)C(=O)O	383981031	XATRCERKBMKGEL-UHFFFAOYSA-N	217.181	-0.952	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1CC(=O)NNc1ccccn1	385156849	FLRARQJTPZFXDI-ZJUUUORDSA-N	249.318	-0.054	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H]1O	388709919	YKMIUCRFXOCPFV-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
N#CCCc1ccc(CC(=O)O)c(B(O)O)c1	396131916	GOEPXPQKDGTYMY-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
CSCC(=O)Nc1cc(B(O)O)ccn1	405033733	PYTYSMFCZIVLHJ-UHFFFAOYSA-N	226.066	-0.937	50	10	BBGE	
CSSCCNS(=O)(=O)C1CNC1	405090541	PXAWKOAFAIIXRY-UHFFFAOYSA-N	242.391	-0.111	50	10	BBGE	
CCOC(=O)NNS(=O)(=O)N1CCC1	495677128	LTHATQSKIWRDMH-UHFFFAOYSA-N	223.254	-0.812	50	10	BBGE	
CCOC(=O)NNC(=O)C1(C(=O)N(C)C)CC1	496722422	RPZRGZVTLWQEIQ-UHFFFAOYSA-N	243.263	-0.368	50	10	BBGE	
Cn1nccc1CNCc1ccccc1B(O)O	585017875	MUDVQNPNAAEZFX-UHFFFAOYSA-N	245.091	-0.610	50	10	BBGE	
NNC(=O)NC[C@@H]1CCCCS1(=O)=O	606285621	JFHJRWGZAHAGRH-LURJTMIESA-N	221.282	-0.873	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@H]3C2)O1	688272286	MCJQVYDPKKKGMA-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1COC	696550874	ZNAHZWXIDOOCLI-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](F)C1	701809043	KAEPWQZJRQWIDG-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
CN(Cc1nnn(C)n1)[C@H]1COC[C@H]1Cl	709158255	HHJRCFWOYBARPT-RQJHMYQMSA-N	231.687	-0.352	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718901914	VMPCUEKMEYRNNT-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN=c1cc[nH]cc1)NC(N)=O	847689742	DSJKBMMVVNTCMN-SSDOTTSWSA-N	237.263	-0.607	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H](O)C1CCC1	854928208	YXVDQJFKHLMPBJ-ZETCQYMHSA-N	231.321	-0.385	50	10	BBGE	
CNc1cnc(C(=O)NNC(C)=O)cn1	858109269	PEHKHEXBDCXIBQ-UHFFFAOYSA-N	209.209	-0.701	50	10	BBGE	
COc1ccnc(OC)c1C(=O)NNC(C)=O	864426875	BURIGWADEYEICH-UHFFFAOYSA-N	239.231	-0.120	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)Cc1ccccn1	900580013	SHQFSPLFOUEZQM-FWYAXHSGSA-N	249.270	-0.292	50	10	BBGE	
ClCCS[C@H]1NN[C@H]2NCNN12	953055348	CVSCHVKYCVOHOM-UHNVWZDZSA-N	209.706	-0.999	50	10	BBGE	
CC(C)NC(=O)C(=O)NN=Cc1cncnc1	1117742032	JMJXGTHZBJCNJN-UHFFFAOYSA-N	235.247	-0.549	50	10	BBGE	
CC1=NO[C@@](C)(C(=O)NNC(=O)C(C)(C)O)C1	1154456858	IYGNXSDSBBRATA-SNVBAGLBSA-N	243.263	-0.540	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccc(C(N)=O)[nH]1	1297676354	JQUCDTOWXMKQPX-UHFFFAOYSA-N	240.219	-0.543	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)[C@@H]1COCCO1	1566168924	YGEVDVPJLVXMSG-ORZBULNSSA-N	242.275	-0.095	50	10	BBGE	
O=S(=O)(CCl)N1CC2(CC[C@@H]2O)C1	1882207719	KIKTTXGJAIMJSU-LURJTMIESA-N	225.697	-0.031	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CCCl)C[C@H]2O1	1884556622	VKFUZTUJUQELHD-PHDIDXHHSA-N	218.640	-0.066	50	10	BBGE	
CN(C)NC(=O)C[C@H]1C[C@@H](N)CCO1	1887241154	WMHCEBCYIFMZGD-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CCC1(O[C@@H](C)CC(=O)NN)COC1	1888042078	ARFYINKJAFTJEE-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
CCOCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1894739301	VDHHKXXCWIMKIF-VHSXEESVSA-N	227.308	-0.419	50	10	BBGE	
C#C[C@@H]1N(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	1899889866	VUGCGPJJJDTUNI-CIUDSAMLSA-N	221.065	-0.281	50	10	BBGE	
O=C(NCCc1ncco1)[C@H]1C[C@@H]1B(O)O	1900934988	DMJUYABRMYTHER-BQBZGAKWSA-N	224.025	-0.804	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)C1CC(O)C1	1901751871	JHDYYDOLYSYTFJ-IDKOKCKLSA-N	229.324	-0.010	50	10	BBGE	
CCN1CC[C@@H](N2CC[C@@H](B(O)O)C2)C1=O	1902528938	KMCUEJZFCBJQKU-RKDXNWHRSA-N	226.085	-0.844	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	1910103428	GAHYXGWYBJMDFW-OYNCUSHFSA-N	239.080	-0.372	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC12CC2	1915587504	KKXQOKQYMPWTMC-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)[C@@H]1CCNC1=O	1916840688	XNKDWVJBXMWCKU-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCSC1	1928183445	URRLATCOHXJUJS-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)Cn1cnnn1	1928697758	FODDMECXNAFNLB-LURJTMIESA-N	233.659	-0.957	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](F)C1	1936027173	UULIRMRFBIGVOC-HLTSFMKQSA-N	233.287	-0.450	50	10	BBGE	
C[C@H](O)CN(C[C@H]1C[C@H]1C(=O)NN)C1CC1	1936082668	FSOQGJFGCPLAOC-QXFUBDJGSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)C2(CC2)C1	1944604480	SCBYDXYEOWFWIV-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
O=C(CCl)NC[C@@]1(O)CCCOC1	1953902162	KYWZEGURAXOFCI-QMMMGPOBSA-N	207.657	-0.117	50	10	BBGE	
CC[C@@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1956457907	JJILWHGBKHAZDY-RWBAJPLHSA-N	222.314	-0.671	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1C(=O)NN	1956778621	UGBYGMAYTWXAEO-MRVPVSSYSA-N	200.286	-0.158	50	10	BBGE	
CCOCCOc1nc(B(O)O)cs1	1956954708	OMVMOZPIILVDKM-UHFFFAOYSA-N	217.055	-0.762	50	10	BBGE	
O=C1NCCN(C[C@@H](O)CCl)CC1(F)F	1960148463	YRIOJYNIQOKXMJ-LURJTMIESA-N	242.653	-0.347	50	10	BBGE	
CC1(COc2cncc(B(O)O)c2)CC1	1960731716	VHWGKKGELVXTOB-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
CCN(C[C@@H](Cl)C#N)[C@@H]1CC(=O)NC1=O	1961457179	NXVDQXJJRWROQW-NKWVEPMBSA-N	229.667	-0.146	50	10	BBGE	
C[C@]1(F)CCN(c2nc(B(O)O)cs2)C1	1961717615	CVCIUOZDLXWWQA-QMMMGPOBSA-N	230.073	-0.239	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C)(N(C)C)C1	1976832208	DTDXGUYSQHLKMQ-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CC[C@H](CCN(C)C(=O)C(=O)NN)O1	1977029049	BQCUEWXBOMCUKQ-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
CO[C@H](C)CCn1nc(C)c(B(O)O)c1C	1979030745	ZXBVAGPZTAJFAM-SSDOTTSWSA-N	226.085	-0.395	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]2CC[C@H]1C2	1980348375	IQOHJLRXINSOKO-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1ccc(B(O)O)cn1	1981415397	DKMSCXGXBBHTJM-SCZZXKLOSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1ccc(OCCOC2CC2)nc1	1981429702	HDZWFFLGXQLRFF-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
Cc1cc(N2CC(C)(F)C2)ncc1B(O)O	1981469690	WWJDHEOGRKNNSY-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CCO[C@@H]2C(N)=O)C1=O	1982020389	FATAEGPKVNMUSQ-BYULHYEWSA-N	246.694	-0.284	50	10	BBGE	
CN(CC(=O)NN)Cc1cnn(C(F)F)c1	1983655581	LJZPXBNJQMEWOR-UHFFFAOYSA-N	233.222	-0.300	50	10	BBGE	
C=CCCCCn1cccc(B(O)O)c1=O	1984515873	KXAHRCHOFMVSHK-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
CC(C)(C)[C@@H]1[C@@H](O)CCN1CCC(=O)NN	1986723025	NQUZPSADFDACEO-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2COC[C@H]21	1987061885	PQYWRVBNNHAGPS-IVZWLZJFSA-N	227.308	-0.278	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCOC[C@@H]1F	1987226762	ZCFJPRNVBMEATB-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2OCCO[C@@H]2C1	1991653714	COJQXNSKKJPDAC-HTQZYQBOSA-N	245.662	-0.066	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)[C@@H]1C[C@H]1Cl)C2	1991692529	HOBHQKFASFGJRI-RNFRBKRXSA-N	243.694	-0.150	50	10	BBGE	
C=C(CN1CCc2ncn(C)c2C1)B(O)O	1992152220	BLKJVMSBTGZKIQ-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1[C@@H]2CCC[C@@H]12	1998125248	GZBDPJPPZLTRJR-QYNIQEEDSA-N	241.052	-0.925	50	10	BBGE	
COc1cc(C(=O)NNCCO)cc(OC)n1	2001917280	YHISEACPIZEEJX-UHFFFAOYSA-N	241.247	-0.675	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN1CCOC1=O	2004245280	HKVJICYQUYWCBC-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](CCF)C2)nc1	2004913290	DHCCMCAFXUKBKR-QMMMGPOBSA-N	239.059	-0.658	50	10	BBGE	
Cc1nc(O[C@H]2CCCOC2)ncc1B(O)O	2004936440	ZJPCWWKUFVOEKD-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(N2CCC2)C1	2008865981	GCGRVVHOQMMRCK-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
C[C@@H](CN1CCCC[C@H]1C1(O)CC1)C(=O)NN	2013933860	ROXDXAFIWBIBKH-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](CO)C12CC2	2016080014	KOLSPHFMGCVFCB-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
CN(C)CCCC(=O)N[C@@H]1CCC=C1B(O)O	2020057637	USFOEHMIOYCLTB-SNVBAGLBSA-N	240.112	-0.455	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1CCOC[C@H]1F	2020497207	SGXKUMUBUGCIJQ-SCZZXKLOSA-N	241.027	-0.733	50	10	BBGE	
CC1(CN)CN(CC(=O)NNc2ccccn2)C1	2034780129	KLPQWYWCWFGBSW-UHFFFAOYSA-N	249.318	-0.195	50	10	BBGE	
Cn1cccc1C(=O)Nc1ccc(B(O)O)cn1	2040763178	MXKSUASXRLVGEN-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)n1	2052624158	DLWYEMVYPCAYDD-LOKLDPHHSA-N	245.091	-0.691	50	10	BBGE	
CCOc1ccc(C(=O)NCC#CB(O)O)cc1	2077492923	SWCHRUDQZUJHML-UHFFFAOYSA-N	247.059	-0.170	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1nscc1B(O)O	2211140037	KWKOYLSGDZACQA-RCOVLWMOSA-N	243.093	-0.626	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCC[C@@H](N=C=O)C1	2211593725	KQXKOUZCPLLJCC-SECBINFHSA-N	247.320	-0.017	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1CC[C@H]1C(=O)NN	2211827292	DMCLHENPPXBLEF-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
Cc1nc(C)n(C[C@H]2CC[C@H]2C(=O)NN)n1	2211838925	NPZJBAMCQFQUCS-RKDXNWHRSA-N	223.280	-0.089	50	10	BBGE	
CC[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2212602785	JTUBHMGRIZMGFS-YUMQZZPRSA-N	221.069	-0.964	50	10	BBGE	
CC(C)[C@H](N)COc1ncccc1B(O)O	2212604947	VETNPLOGEVESMN-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C(C)(C)C(N)=O	2215772327	NKLGYEBZNYRPKB-HTQZYQBOSA-N	242.323	-0.802	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C1(CCO)CC1	2215776162	LDMRYSSWZMAIHS-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215777509	SXPSNITVWAARIG-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
Cc1ccnn(C[C@H]2CC[C@H]2C(=O)NN)c1=O	2215777751	UZGPRQUEULDVSW-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
COCCCOCC1(C(=O)NN)CCOCC1	2216853926	BAJLMSHTLFOGHL-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
CC1(CNc2ncc(B(O)O)cn2)CC=CC1	2217175380	IASKHGWWJFOZIR-UHFFFAOYSA-N	233.080	-0.075	50	10	BBGE	
C#CCN(c1cc(B(O)O)c(C)cn1)C1CC1	2217182269	BIITYUWISBBLBS-UHFFFAOYSA-N	230.076	-0.328	50	10	BBGE	
OB(O)c1cccnc1OCCCC1CNC1	2217183274	GTPRQKHMUCQPHZ-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2C[C@H]2F)cc1B(O)O	2217183837	LDZBOWKQDKNASS-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
OB(O)c1ccnc(NCCOCC2CC2)c1	2217204383	IWQSLUYOKPJHRZ-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@@H]1COCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205344	XNPXCPNDTCIFCP-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)[C@@H]1CCNC1	2220063286	KTDPYMITKSAJGV-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
Cc1cnc(OC[C@]23CNC[C@H]2C3)cc1B(O)O	2223631364	VZMWYDQDAJXMHS-SKDRFNHKSA-N	248.091	-0.942	50	10	BBGE	
Cc1nc(CNc2ccc(B(O)O)cn2)c(C)o1	2223633388	WEOORYDEQCVYLU-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cnc(N2C[C@@H](CN)C[C@H]2C)cc1B(O)O	2223647959	FYLDUYHFLWJOIE-NXEZZACHSA-N	249.123	-0.757	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@H]1CNC2	2223665196	DJIQKLWIDBJCET-UWVGGRQHSA-N	247.107	-0.908	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@H]2C1	2224024963	KQKCLDNAUHFNBP-KXUCPTDWSA-N	248.091	-0.641	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C[C@H]2CCCC[C@H]21	2242738766	NINKZZNEFZDUDF-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@@H](F)C1	2243356807	NBSJXOGKYZCYDI-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC(F)(F)C1	2243362593	TYBJARXUHMXIDM-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
O=C(Nc1ncccn1)[C@H]1C[C@H](B(O)O)C1	2243390705	AARQPIXKAUNMDM-LJGSYFOKSA-N	221.025	-0.332	50	10	BBGE	
NC1CC(CNC(=O)C2CC(B(O)O)C2)C1	2243395838	CMYLZLMGTRDLAL-UHFFFAOYSA-N	226.085	-0.907	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243396896	SHRXIMGKRVQZLI-YUMQZZPRSA-N	229.085	-0.531	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC12CCCC2	2243401850	XSVCSQZLNPDVLZ-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
O=C(N1CC=C[C@@H](O)C1)C1(B(O)O)CCC1	2243409830	PRGVGLJPHQUCGB-MRVPVSSYSA-N	225.053	-0.857	50	10	BBGE	
CC(C)(CO)CNC(=O)C1CC(B(O)O)C1	2243414280	XLVKQOYTUMNLJW-UHFFFAOYSA-N	229.085	-0.626	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)sn1	2243415395	TZDPHURJGNPTCC-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C=C(C)C(=O)NCc1sc(B(O)O)cc1C	2243678650	MCJCBEBHUPHPAC-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H](C)[C@H]2C)n1	2247140530	CELMPVLRRCFVKS-JGVFFNPUSA-N	236.080	-0.385	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)C1(B(O)O)CCC1	2247733154	MXTGCKLHGNOIJU-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1CO	2247756075	LCNLMYIAXVCUDO-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCC[C@H](O)C1	2247785400	KICZWTMPKXOSNH-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
Cc1cc(C(=O)NCCF)cc(C)c1B(O)O	2247786436	ARXFXFNOOOOTNW-UHFFFAOYSA-N	239.055	-0.317	50	10	BBGE	
O=C(N[C@@]12CCOC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247791650	OELWELBOXXPYDN-WYOJIJJFSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C2CC(B(O)O)C2)CO1	2247797441	JREOXXDRZUXZBI-SEZDTBSWSA-N	241.096	-0.125	50	10	BBGE	
CC(C)[C@@](C)(O)CNC(=O)C1CC(B(O)O)C1	2247797692	MEIGZNAABUQIHL-AMUVOQDHSA-N	243.112	-0.237	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247798425	TZXFTOMJHPUVJM-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)C1CC(B(O)O)C1	2247800552	QBFAMSFKKLOKBW-LGUIWLBCSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247808715	MBMXMXGXHQLVEH-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247810429	XHTRKUQSSMAEJI-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CON(CC(C)C)C(=O)c1cc(B(O)O)c[nH]1	2247847953	DZBJOEFHWSPSGQ-UHFFFAOYSA-N	240.068	-0.646	50	10	BBGE	
CCN(C(=O)C#CB(O)O)[C@H]1COC(C)(C)C1	2247850282	MLOOAPNLXKONHC-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247854543	DZHDBTPRNKARLK-LGUIWLBCSA-N	240.112	-0.565	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2247872272	PRHVRCNCQIUJJG-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247872542	UHMVCXLPSQTMNW-MRVPVSSYSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2occc2B(O)O)C1	2247878770	NANQSWZROALXRC-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1CO	2247896421	GQYROEDDTIZUGC-KYXWUPHJSA-N	241.096	-0.674	50	10	BBGE	
O=C(N[C@H]1C[C@@H](C(=O)O)C1)C1(B(O)O)CCC1	2248591916	VGOPQTNZJBSLFL-KNVOCYPGSA-N	241.052	-0.637	50	10	BBGE	
CN1CCO[C@@H](CN2CCC(B(O)O)CC2)C1	2249358042	UBIOIHDOAGZGDC-LLVKDONJSA-N	242.128	-0.744	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1cocc1B(O)O	2249417574	HYXOOTAQGMXDFL-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)C1(B(O)O)CCC1	2249621201	KOSFCDKZHGMBSI-VGMNWLOBSA-N	239.080	-0.323	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@H](C2)C1	2255460296	RZCQXTZMDBFDAZ-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1ccoc1B(O)O	2255461744	LTNGNFCEJNHETI-FNCVBFRFSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]2CC[C@@H]21	2255491485	YCHGRHICUFWIFR-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CCC[C@@H]21	2255671409	QROCASUSBNVQGE-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
CCn1cc(NC(=O)c2cc(B(O)O)c[nH]2)cn1	2255675085	VGZZPNAPNVVDEK-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
CC(C)C1CN(C(=O)c2ccncc2B(O)O)C1	2255729417	VJRXLTNRSDGUPG-UHFFFAOYSA-N	248.091	-0.511	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]3C[C@H]32)c1	2255730966	XOTSHODWXZKNDT-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
O=C(Nc1cnoc1)Nc1ccccc1B(O)O	2255918345	NFXJVGCVZNFILB-UHFFFAOYSA-N	247.019	-0.002	50	10	BBGE	
CC#CC(=O)NCc1ccc(B(O)O)c(OC)c1	2260906199	ACDIVUHDKSPQKE-UHFFFAOYSA-N	247.059	-0.986	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2298107562	BCZNDFWYSJBSTP-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369063	HRZCRULUSFDFLF-QCLAVDOMSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463146	RZRDMCMFVZTVCP-NGJRWZKOSA-N	241.052	-0.829	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	2302018054	LZMXHAXLPOHHCP-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
CC(C)(C)NC(=O)CN1CC[C@@](C)(B(O)O)C1	2303134305	PQZSVSQWCFSABZ-LLVKDONJSA-N	242.128	-0.160	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)c(F)cn1)C(C)C	2303835463	XJADESKDRWWFAD-JTQLQIEISA-N	236.055	-0.030	50	10	BBGE	
C[C@@H]1CC[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303837003	UNXJQJBEJUPZLH-SFYZADRCSA-N	238.071	-0.220	50	10	BBGE	
N[C@@H]1CC[C@@H](Oc2cc(B(O)O)c(F)cn2)C1	2303853206	SJDGHSABKAYZNW-RNFRBKRXSA-N	240.043	-0.841	50	10	BBGE	
COC[C@@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2306655099	ITDLVGOTTGZEOR-JTQLQIEISA-N	242.275	-0.173	50	10	BBGE	
OB(O)c1cccnc1OCC12CC(CCN1)C2	2315156922	NVTKYFGPHHMHGZ-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
CCCNC(=O)CNC(=O)NC(=O)[C@H](C)Cl	36781342	XCKGAYUVLZZXHD-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
NNC(=O)CCC(=O)N1CCCC[C@H]1CCO	58838124	AWUBCKIMMRFFJM-VIFPVBQESA-N	243.307	-0.480	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]2CCC[C@@H]21	82469825	FUSCNCXPGRPMFO-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](CC)C(=O)NN	82470757	QAUZGIQMPRKKLJ-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
CC(C)(CN1CCC[C@@H](O)C1)C(=O)NN	86597941	JUVUCKNGOYKEOA-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1SCCN(C(=O)C(=O)NN)[C@H]1C	132613165	KUUUMGWFTFOCMF-WDSKDSINSA-N	217.294	-0.671	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](CO)C2)o1	163065873	TWTRPJKMAOFISU-MRVPVSSYSA-N	239.275	-0.303	50	10	BBGE	
N#CCC(=O)N1CCN(C(=O)CCl)CC1	169900698	HIBJLNVNZIBZTA-UHFFFAOYSA-N	229.667	-0.190	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC(N)=O)C(C)C	211750596	SCDHZXUBVPNHDR-MRVPVSSYSA-N	230.312	-0.659	50	10	BBGE	
COC(=O)[C@@H](O)[C@@H](O)CBr	221201961	SWGXSCUMJHOWMV-IMJSIDKUSA-N	213.027	-0.724	50	10	BBGE	
COc1ccc(C(=O)NN)nc1[N+](=O)[O-]	238348277	KWRQTLCSGTUHLR-UHFFFAOYSA-N	212.165	-0.398	50	10	BBGE	
COC(=O)[C@@H](NC(=O)CCl)[C@H](C)O	238374395	UDCOYZWGBWAHDV-NJGYIYPDSA-N	209.629	-0.736	50	10	BBGE	
NC(=O)NNC(=O)/C=C1/CCCCC1=O	238590130	QOJLADUYZGQMMS-WAYWQWQTSA-N	211.221	-0.245	50	10	BBGE	
OB(O)c1cnc(Br)nc1C1CC1	238631659	QFCKQAAXMRJSCB-UHFFFAOYSA-N	242.869	-0.204	50	10	BBGE	
NNC(=O)NNC(=O)c1ccc(N)cc1	238661492	RUDDKVHHGBBDDK-UHFFFAOYSA-N	209.209	-0.914	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)CC(=O)NN)C1	299912501	OHOCCFMVAIRNMD-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
Nc1cc(C(F)(F)F)cnc1B(O)O	306826534	ZRVILROQTRZTHM-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@@H](C)[C@@H](C)C(=O)NN)C1	310191111	YVWQBOYOSYHNJO-UTINFBMNSA-N	245.323	-0.918	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H](CN)C1	310447612	XJEJFRNDYFOOBO-JTQLQIEISA-N	242.323	-0.786	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CC(N(C)C)C1	313756113	CMGFSWKDFKZZPY-UHFFFAOYSA-N	248.135	-0.579	50	10	BBGE	
C[C@@H](O)CN(CCO)C[C@@H](Cl)C#N	379360739	BSJYNEOBMXHVCM-SFYZADRCSA-N	206.673	-0.208	50	10	BBGE	
CSSCCNC(=O)CNC(N)=O	379370747	GRIZVVUQRVYUAZ-UHFFFAOYSA-N	223.323	-0.218	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1cnn(C)n1	379907058	KNRAKTZTWSXNID-ZCFIWIBFSA-N	232.671	-0.201	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C)c1C	379913288	OFIMMAMPQAQXJO-UHFFFAOYSA-N	208.022	-0.230	50	10	BBGE	
CN1CCCN(CCCCC(=O)NN)C1=O	382204530	JWMNKMLMSWWNCZ-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NS(=O)(=O)CCCCl	387525280	IUAMRJFJCFVSBJ-RNFRBKRXSA-N	245.728	-0.724	50	10	BBGE	
N#Cc1c(B(O)O)c(CO)cc2ccsc12	396211585	ACVCRDNERKMQAZ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N#Cc1c(CO)ccc2cc(B(O)O)sc12	396223143	OECAINLPAKHDSW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc2c(O)cc(B(O)O)cc2s1	396334532	CJSAZPRSUJWUGV-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccccc1B(O)O	404945283	CBSFLBHWGPVYBB-SSDOTTSWSA-N	223.037	-0.660	50	10	BBGE	
O=C(Cn1ccnc1)Nc1ccccc1B(O)O	404999548	KKGRWPKJJMRLJV-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)CN(C)C	405032932	QBFIYHWCTJRSQC-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
C[C@@H](CN(C)C[C@]1(C)CCOC1)C(=O)NN	687519559	LSSLOXJAUWXVNY-ONGXEEELSA-N	229.324	-0.029	50	10	BBGE	
CN1CC[C@H](COc2ccc(B(O)O)cc2)C1	691574315	ZUSWMOYYJBMTKD-JTQLQIEISA-N	235.092	-0.303	50	10	BBGE	
Cc1nn(CC(C)(C)C(=O)NN)c(=O)o1	694856904	QFVFNOGERDKMIQ-UHFFFAOYSA-N	214.225	-0.839	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCNCC1	695070217	PGUXLTRKHHZYRW-SECBINFHSA-N	214.313	-0.704	50	10	BBGE	
COC[C@H]1CCCCN(C(=O)C(=O)NN)C1	696603409	WZVDHTDOWXFCEK-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)CC[C@@H]1CO	701576698	SVQZPFVNTKILAY-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN1CC[C@@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703440544	ZESLGLBYUJFUNG-UTLUCORTSA-N	238.287	-0.146	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC12CC2	705173826	KVHNBDYHDADURB-ZETCQYMHSA-N	232.048	-0.500	50	10	BBGE	
CCCNC(=O)N1Cc2ccc(B(O)O)cc2C1	707983203	APWXTIUFHWVORR-UHFFFAOYSA-N	248.091	-0.198	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)Nc1nn[nH]n1	709814815	RWBBAZDIMBVFNM-BYPYZUCNSA-N	239.688	-0.184	50	10	BBGE	
CN(CC(C)(C)S(C)(=O)=O)C(=O)NN	713899473	ORXQXSGFZQHTGK-UHFFFAOYSA-N	223.298	-0.675	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	721478821	FMJMFXUMOOSYMB-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
O=C(NCCCl)c1ccc2c(c1)=NCN=2	725677562	IKOLRKVZHHIKQL-UHFFFAOYSA-N	223.663	-0.135	50	10	BBGE	
CC(C)[S@](=O)N[C]1N=C[C@H](B(O)O)S1	725699228	CZNAGTODCDLMIS-YYNRFHATSA-N	235.119	-0.707	50	10	BBGE	
COCC(=NNC(=O)[C@@H]1COCCO1)C1CC1	754260043	SERSEIFPJWRABF-JTQLQIEISA-N	242.275	-0.070	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@H]1CCOC1	754343991	NALDKWPHSBUEOQ-ZETCQYMHSA-N	230.264	-0.405	50	10	BBGE	
C=C[C@H](C)NC(=O)NNC(=O)[C@H]1COCCO1	756976294	YNQMWAROWQSNME-JGVFFNPUSA-N	243.263	-0.693	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCS1)c1nc[nH]n1	819660861	YUWMSBRZMBHVDI-RXMQYKEDSA-N	241.276	-0.539	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C#CC2CC2)cn1	1136883170	AULHPOMBLYOXHZ-UHFFFAOYSA-N	232.243	-0.406	50	10	BBGE	
CCOC(=O)[C@H](CC)C(=O)NN(C)C(N)=O	1151329489	HHLSIDHBKXGZBY-ZCFIWIBFSA-N	231.252	-0.383	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC23CC3)nn1	1328758581	QNBLNWUEFWAQSM-ZCFIWIBFSA-N	235.247	-0.624	50	10	BBGE	
CC[C@H](F)C(=O)NNC(=O)CN(C)C	1472504290	ZYOXUWJYILMFLU-LURJTMIESA-N	205.233	-0.557	50	10	BBGE	
Cn1nncc1NNC(=O)c1cnnc(O)c1	1558988866	KMOCUMJKMLQMKO-UHFFFAOYSA-N	235.207	-0.932	50	10	BBGE	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccncn1	1635934572	ZHNKQXRPYQWBLJ-VDTYLAMSSA-N	237.219	-0.583	50	10	BBGE	
O=C(CCl)N[C@H](Cc1cnc[nH]1)C(=O)O	1865982787	SFUHFOLHNZMHBP-ZCFIWIBFSA-N	231.639	-0.240	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@H](N)CCC(=O)O	1866016830	FMBNMGAFFGLSAY-PHDIDXHHSA-N	222.672	-0.078	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(=O)NN	1879945545	QOPNLQQXVBDDSJ-WDSKDSINSA-N	215.253	-0.111	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@H]1C[C@H]1Br	1883533177	PIAFNHSNVFLTDY-NTSWFWBYSA-N	249.108	-0.026	50	10	BBGE	
NC(=O)COCCNC[C@H]1C[C@H]1Cl	1883567312	OIWDCSJZBPEGHV-RNFRBKRXSA-N	206.673	-0.295	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)NNC(N)=S	1886970153	PWZFNFZDGYNVFQ-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
O=C(CCn1cncn1)NOCCCl	1888299741	BQTBNOYPJXFDHQ-UHFFFAOYSA-N	218.644	-0.045	50	10	BBGE	
O=C1NCC[C@@H]1CNS(=O)(=O)CCCl	1892875638	AFXBAZOZJUJIQT-ZCFIWIBFSA-N	240.712	-0.719	50	10	BBGE	
Cc1cnn([C@@H](C)CC(=O)NN)c(=O)c1	1893840497	GQBGPNRMIXGGCM-ZETCQYMHSA-N	210.237	-0.507	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)N[C@H]1CCC=C1B(O)O	1898058293	GMPWKJXHBICSSZ-PMVVWTBXSA-N	227.044	-0.049	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1898239154	VVLLXUIVMJHDSH-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	1898604288	XCKUVPPVOYDWML-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1C[C@H]1COCCOCC(=O)NN	1898740329	SVXRLUQTGZSUHR-YUMQZZPRSA-N	202.254	-0.335	50	10	BBGE	
CC[C@@H](OC)C(=O)N1CC[C@@](C)(B(O)O)C1	1902521266	GBQMWKRDPSKCED-PSASIEDQSA-N	229.085	-0.123	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3CC[C@@H]3C2)n1	1902637254	JPCZYSQBOXUHIM-HTQZYQBOSA-N	238.121	-0.335	50	10	BBGE	
C=C[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903005823	LEPRRGOFZXXQDX-SSDOTTSWSA-N	224.044	-0.444	50	10	BBGE	
C[C@]1(N)CCN(C(=O)C2CC(B(O)O)C2)C1	1904726196	SKFYGDNCKJIREY-KTOWXAHTSA-N	226.085	-0.811	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1C[C@@H]1F	1907455154	DTVSMCHGLZHLHN-SCZZXKLOSA-N	237.039	-0.659	50	10	BBGE	
CS(C)(=O)=NCc1ccc(F)cc1B(O)O	1913504448	KDBVJUHEGJOVRE-UHFFFAOYSA-N	245.084	-0.267	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915521553	BOZKUUZRTBSREJ-QMMMGPOBSA-N	244.339	-0.413	50	10	BBGE	
CN(CCCCC(=O)NN)C1COC1	1915657121	IWPDUOCJFMHCLS-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
N#Cc1cc(C(=O)NNC(N)=O)ccn1	1923084811	SRCLHCOKCALMAC-UHFFFAOYSA-N	205.177	-0.734	50	10	BBGE	
CCO[C@H](C)n1nc(C)c(B(O)O)c1C	1927939656	JLWDOZWKYMOATA-MRVPVSSYSA-N	212.058	-0.265	50	10	BBGE	
CC[C@H](O[C@]1(C)CCOC1)C(=O)NN	1928533705	HSBXFQSPECUDPQ-IONNQARKSA-N	202.254	-0.050	50	10	BBGE	
NNC(=O)C1(CSC2COC2)CC1	1931267523	VNHIPHUSFAMVHP-UHFFFAOYSA-N	202.279	-0.112	50	10	BBGE	
COC(=O)CSCC1(C(=O)NN)CC1	1931269085	NZTTWVUQSMNSSI-UHFFFAOYSA-N	218.278	-0.337	50	10	BBGE	
C[C@H]1[C@H](Cn2ccc(B(O)O)n2)C1(F)F	1931657411	AGEBFVJENZWHAX-WDSKDSINSA-N	215.996	-0.536	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC1(C)C)C(=O)NN	1934006119	YEISFEFHIQRKBA-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN1CC(=O)OC(=O)C1	1935555937	GQDSKKLSHDUDTK-YUMQZZPRSA-N	229.232	-0.824	50	10	BBGE	
N#C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936090883	LKGOLPOSOYXZPS-LPEHRKFASA-N	222.292	-0.152	50	10	BBGE	
C[C@]1(C#N)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092461	XQGMVNRMMCWLAY-IQJOONFLSA-N	222.292	-0.152	50	10	BBGE	
COC[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1936093925	IVCGCSGHNUHJIC-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
O=C(CCCl)NCCC[C@H]1NC(=O)NC1=O	1937753698	UMUUTPFUCZDADX-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
NNC(=O)CCN1CC2(CC[C@@H]1CO)CC2	1939209084	XBKAPPDBLALMAJ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C(=O)N(C)C)C1)C(=O)NN	1940303126	KYJNDDIAIQXNHD-DTWKUNHWSA-N	242.323	-0.978	50	10	BBGE	
CN(CCOCC(=O)NN)c1cccc(O)c1	1941784401	MZZOQQHCLRLAOZ-UHFFFAOYSA-N	239.275	-0.165	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CC1(F)F	1942460074	YFUPFUNVWWGXPC-QMMMGPOBSA-N	241.002	-0.040	50	10	BBGE	
CC[C@H](COC)OC[C@H]1CC[C@H](C(=O)NN)O1	1945652866	ZQUYVOBMNKETGS-OPRDCNLKSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CCCO)CC1	1945888675	FRMIXZQTMMYJSE-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](N)C2	1946024909	WOGWHTXHEZZWPE-OWUUHHOZSA-N	240.307	-0.892	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1	1951321844	JESQOZKIDXNZAF-RKDXNWHRSA-N	227.069	-0.513	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1NC(=O)C(=O)NN	1959143631	KMOXPTZOGNRKIB-CVYQJGLWSA-N	225.170	-0.567	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)C[C@@H]2CCCN12	1960159389	LPUGAGSMUBLKRP-IUCAKERBSA-N	232.711	-0.107	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC[C@H]2O)C1	1975355088	HKCDJTQFTJQIDE-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
Cc1nc([C@H]2CCCN2CC(=O)NN)no1	1976767280	DBCCWECJOIUILV-SSDOTTSWSA-N	225.252	-0.495	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC(F)F)n1	1981421496	APTOYTNLKHGCRM-UHFFFAOYSA-N	231.995	-0.583	50	10	BBGE	
C[C@H](CN1CCOC[C@@H]1C(F)F)C(=O)NN	1982687006	LQKUVLIVGIKVBC-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
O[C@@H]1[C@H]2C[C@@H](CN(CCOCCCl)C2)[C@H]1O	1985763275	TZQRPLBSQIFRRP-UKKRHICBSA-N	249.738	-0.085	50	10	BBGE	
CC[C@H]1COCCN1CC(=O)NNC(C)=O	1990776129	GHCWMTSBVUFABT-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCNC[C@H]1CO	1991717098	SJNOBFUDTUZOGT-HIQWKFPQSA-N	246.694	-0.605	50	10	BBGE	
NNC(=O)CCN1CC[C@H](C(F)(F)CO)C1	1991992411	RHXZSEYUMBGKOH-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
C=C(CN1CC[C@@H]2CCOC[C@H]2C1)B(O)O	1992159611	NGBXNUJWAKJYRD-GHMZBOCLSA-N	225.097	-0.087	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996734738	SKOHYVHNYADLLJ-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CC1(C)C[C@H]1CC(=O)N[C@@H](CB(O)O)C(=O)O	1998135938	VJOMJGDSWQMZIP-RQJHMYQMSA-N	243.068	-0.535	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@H](C(=O)NN)C(C)C)C1	2002123045	SEWCTPJYKGCCJF-UTLUCORTSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(n2cnnc2)C1	2003859796	FPNXSXNHHOFULP-MRVPVSSYSA-N	238.295	-0.707	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCC[C@H]21	2004918036	ZSXRWRYMQBZFGB-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
C[C@H]1C[C@@]1(C)CN(C)c1ncc(B(O)O)cn1	2004918919	RPXROJXRKYCBJV-KWQFWETISA-N	235.096	-0.361	50	10	BBGE	
COC(C)(C)CCOc1ncccc1B(O)O	2004950637	HZTPUSPTYGCIQF-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H]1C1(O)CC1)C(=O)NN	2013933865	ROXDXAFIWBIBKH-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CN(CC(C)(F)F)c1ncc(F)cc1B(O)O	2014924416	LHNBKGNBVZQEHW-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC23CC(F)(F)C3)n1	2015508676	IUWZQGYWNWNVJZ-ZETCQYMHSA-N	242.034	-0.002	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CO)C12CCC2)C(=O)NN	2016080533	OAHHPPAJBQKBFM-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
Cc1ocnc1C(=O)N[C@H]1CCC=C1B(O)O	2020063655	YGUZUTPDNVFECQ-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCOC[C@H]2F)nc1	2020497381	UUBVZZQUMAKMSA-BDAKNGLRSA-N	241.027	-0.733	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C[C@H]1C[C@H]1C(=O)NN	2025475133	CIQJEGCWJDAWCP-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncc(B(O)O)cn3)C[C@@H]21	2025799738	DDJWVAHCBOJNTN-NQMVMOMDSA-N	233.080	-0.751	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	2026820912	QIHLPMCECIQEHM-BGJNVIQHSA-N	232.048	-0.810	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1CC1CCC1	2052474064	XUPRIRQOKWOTOH-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
CCN1CC(CN(C)c2ccc(B(O)O)cn2)C1	2052474152	YFAFTAYWDDRICO-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]3CC[C@@H]32)n1	2052619459	FVMMUFBTGANWMF-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
O=Cc1cc(F)c(Cl)c(B(O)O)c1	2060106398	YEYHQXHFANBWSX-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
O=C(CCn1cccn1)N[C@H]1CCC=C1B(O)O	2076076048	JSGZYUOSNDXMRX-JTQLQIEISA-N	249.079	-0.510	50	10	BBGE	
Cc1nc(N2O[C@H]3C=C[C@H]2CC3)ncc1B(O)O	2077855465	NBZNCYRWYKYLBA-IUCAKERBSA-N	247.063	-0.696	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)c1ccccc1B(O)O	2079010207	XWVNCCNCQGWQPA-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
C=C(F)CS(=O)(=O)N[C@@H]1CCC=C1B(O)O	2212129107	LCEFYFBITJNXIM-MRVPVSSYSA-N	249.072	-0.510	50	10	BBGE	
CCOC[C@@H](C)Nc1ncccc1B(O)O	2212601961	WPIPZRMYCURSFX-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Nc1ncc(B(O)O)cn1	2212602485	FHSMORJGWPLEHB-APPZFPTMSA-N	221.069	-0.243	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCCOCC1=O	2215775801	JBHHHELSQSGVCO-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2COCCO2)CCC1	2216494599	CHQYNWJGGRCRKK-VIFPVBQESA-N	244.291	-0.421	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2COC[C@@H](C1)C2(F)F	2217042869	JLGZZBNPIUMNKX-BIIVOSGPSA-N	249.261	-0.422	50	10	BBGE	
Cc1ncc(Nc2ncccc2B(O)O)cn1	2217178348	UXNRBEIVEOJJEQ-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@H]1CCNC1	2217184322	OMLSCYGBIXIIRN-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
CO[C@@H]1C=C[C@H](Nc2ccc(B(O)O)cn2)C1	2217184547	PYXBXBORDMLUNE-VHSXEESVSA-N	234.064	-0.483	50	10	BBGE	
NC[C@H](Oc1cc(B(O)O)ccn1)C1CCC1	2217186440	KKROMVBVJPFNEU-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]3C2)c1F	2217186698	NVMRYKJDYNWFRS-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CC1=C[C@H](C)CN(c2ncc(B(O)O)cn2)C1	2217199072	AHHVXUSFCAPVTP-QMMMGPOBSA-N	233.080	-0.441	50	10	BBGE	
OB(O)c1cnc(=NCCc2cccs2)[nH]c1	2217202550	KWUKTRUCKDSURZ-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
CC1(C)C[C@@H]1CCn1cc(B(O)O)cnc1=O	2217409962	ZGIQOPYYCYTDCB-QMMMGPOBSA-N	236.080	-0.641	50	10	BBGE	
NC[C@H]1CCCCN1Cc1cccc(B(O)O)c1	2220060857	ADXSHHRYISVSPQ-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@H]2C[C@H]3O)c1	2220071616	LDIKBBVWQDWBBW-KGYLQXTDSA-N	247.103	-0.679	50	10	BBGE	
CNC[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2223635029	RJDUGWKSKSWMEJ-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CNC1(C)CCN(c2ncccc2B(O)O)CC1	2223666982	PEGWBLUZXNVRNQ-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
O=C(NNCCO)N[C@H]1CCSC1	2241346566	NLAPMVMZDAQPNF-LURJTMIESA-N	205.283	-0.712	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)[C@@H]1C[C@@H]1B(O)O	2241663925	KRXPAWNGFAAYBO-GBNDHIKLSA-N	217.461	-0.265	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccsc1B(O)O	2243359736	WYXREYWPSGDRNA-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)C1(B(O)O)CC1	2243363169	BWDPSULGLUEHRV-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
C#CC1CN(C(=O)c2ccsc2B(O)O)C1	2243398765	UHPMLSJWPRGDIM-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC=C(F)C1	2243408606	QDWZRBMOCMRVGZ-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243408743	UMBCEGUSKLWUCF-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
CCNCCSC[C@H]1CC[C@@H](C(=O)NN)O1	2245486068	JESVBXBSQGQUMN-BDAKNGLRSA-N	247.364	-0.133	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)C1(B(O)O)CCC1	2247721458	DNXYNQJMVMRPQI-DTWKUNHWSA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1O[C@@]2(CNC(=O)C#CB(O)O)CC[C@H]1C2	2247743231	AXHFCWXBGOGUFH-YWVKMMECSA-N	237.064	-0.924	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1B(O)O	2247752769	VLGHBYTZRLSDJD-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ncc(B(O)O)cc1F	2247757137	ONIFDWJHUCAGJW-LURJTMIESA-N	238.027	-0.795	50	10	BBGE	
CN(CC(F)F)C(=O)c1cncc(B(O)O)c1	2247776321	XDRFZQLZYTZODC-UHFFFAOYSA-N	244.006	-0.902	50	10	BBGE	
C=CCCCN(C)C(=O)c1cc(B(O)O)n[nH]1	2247783613	IINDCHVUMTVAQA-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CCOCC1	2247786966	JCGNKTFMIHHIAX-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C2CC(B(O)O)C2)CO1	2247797439	JREOXXDRZUXZBI-AUXWQGHOSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247805365	JYGOGPAPLMLLML-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@H]21	2247805967	LORGAKNQCJPRBN-SIVIVCJJSA-N	239.080	-0.779	50	10	BBGE	
COC(C)(CCNC(=O)[C@H]1C[C@H]1B(O)O)OC	2247809940	SMQQCQICORQTSZ-JGVFFNPUSA-N	245.084	-0.635	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(CCO)CCC1	2247810329	WKPXPJGXJDNRBY-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247855509	TZGJDAFOFNSASW-CIUDSAMLSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1	2247868926	ZRBQQABIWGPJAV-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C2(B(O)O)CC2)N1	2247875513	ZXBLDJZRTYJBBP-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
CC#CC[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247878726	MKGQFIDIJJOJKE-VIFPVBQESA-N	239.080	-0.726	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)[C@@H]1CO	2247879273	SPJKLYKOCRDBRJ-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
COCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895673	UWOPRHUBDBSLCH-BDAKNGLRSA-N	240.068	-0.762	50	10	BBGE	
C[C@H]1CCOC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898043	ZUUIMWCFGHRAHE-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H](C)N1	2247909547	KMPIJHRAMSXILA-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248573171	AHWHQLUGAXESTP-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)[C@H](CCF)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574271	AEFWSIOJDAMBKN-ACZMJKKPSA-N	247.031	-0.832	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248574814	VELBVKOVOSRRIQ-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248587629	RZRDMCMFVZTVCP-OOJXKGFFSA-N	241.052	-0.829	50	10	BBGE	
C[C@@]1(CN2CCC(B(O)O)CC2)CCNC1=O	2249344631	AZJQIVVKBDSAFQ-NSHDSACASA-N	240.112	-0.549	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cocc1B(O)O	2249418001	NQRSTXJJBGYFLK-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1cocc1B(O)O	2249424252	PZMOQXSWBGTIKO-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
CCCN(C[C@H](C)O)c1ncccc1B(O)O	2250543941	XASMVOVURTZBKA-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NC2(C)CC2)c1	2255505594	YCBHBEDCCWMCMI-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
Cc1ccc(C(=O)Nc2cn[nH]c2)cc1B(O)O	2255511114	DXDLWHPTADFUFY-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(B(O)O)cn1	2255519840	CBHDLQIWAVZLTN-UJNFCWOMSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CCC[C@H]2C1	2255715198	BVZHMEASPIBBLE-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1O[C@H]2CC[C@H]1C2	2255728153	AOAZPTIRKHZKHR-YUMQZZPRSA-N	248.047	-0.930	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)ccc1OC	2255743496	GXDSPRHFOXSRCP-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)c1cn[nH]c1	2258131245	RTIOQYHAMWJSHS-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)co1	2258138184	HEGXNDVLYHFZJR-JZYVYDRUSA-N	249.075	-0.122	50	10	BBGE	
OB(O)c1cc(F)cnc1OCc1cccnc1	2264355117	SJVTVKMPQJGJNC-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)[C@@H]2C=C[C@H]1C2	2298168190	QRZOBVCIDNBYFA-IMSYWVGJSA-N	235.287	-0.211	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]1CO2)C(=O)C(=O)NN	2298282117	WRKHJJDTSUMHTB-XHNCKOQMSA-N	241.291	-0.750	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369364	RRSCOKMUWQMSJS-SDNRWEOFSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369729	CMQIJUFJBSLJHM-AXTSPUMRSA-N	240.112	-0.694	50	10	BBGE	
CN(C)[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370497	AGRYTAVSOYRKTL-KKZNHRDASA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371053	XMYMQXUNLYTSQV-AXTSPUMRSA-N	241.096	-0.674	50	10	BBGE	
CC1(C)NCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371838	XOMZMZNVYTYPHZ-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCN1CCN(C)CC1	2300926174	JKMUDPNRJRQNJQ-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
O=C1[C@H](N2CC[C@@H](B(O)O)C2)CCN1C1CC1	2303105017	LWDYBKZUOMLTLU-PSASIEDQSA-N	238.096	-0.702	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)c(F)cn2)CCC1	2303860480	GQCSKYXUPKIMBB-UHFFFAOYSA-N	235.023	-0.165	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1C	2304191188	SKMVGQNORIPVLR-HPENLJRUSA-N	241.335	-0.296	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2313188676	NOPPZCFNENCSQP-QXFUBDJGSA-N	248.091	-0.387	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)CCO1	2317150254	COWBGFKFLLAXQB-VIFPVBQESA-N	246.075	-0.537	50	10	BBGE	
CC[C@@H](COc1ccc(B(O)O)cc1C#N)NC	2317206243	MMZZWHZFCWUYCT-NSHDSACASA-N	248.091	-0.385	50	10	BBGE	
CN(C(=O)CCl)[C@H]1C=CS(=O)(=O)C1	33373444	KKINIEQSMYBTAT-LURJTMIESA-N	223.681	-0.006	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC(C)(C)C1	82467994	RWYFHAZZNBNKNM-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1C(=O)NCCN1C(=O)NC(=O)CCCl	82476172	CHYAIBFJBYZEDE-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@H](C)[C@@H](C)C(=O)NN	93072064	KWAHRCZDMASDAY-RKDXNWHRSA-N	244.339	-0.556	50	10	BBGE	
O=S1(=O)CC[C@H](S(=O)(=O)CCCl)C1	111933160	PHWGFZOYAVTEAY-LURJTMIESA-N	246.737	-0.173	50	10	BBGE	
COCC[C@@H](C)N1CC(=O)OC(=O)C1	113183541	LNEHUNPIGRFOJP-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
OB(O)c1csc(Br)n1	198084185	PDHZVHQLFAHKPM-UHFFFAOYSA-N	207.845	-0.415	50	10	BBGE	
CC(C)(C)OC(=O)OC(=O)[C@H](N)CO	209290689	FISIOIUGUHVJGJ-RXMQYKEDSA-N	205.210	-0.216	50	10	BBGE	
CO[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	230335573	JMTJKTBGPKYARY-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CN1CC[C@@H](NS(=O)(=O)CCCl)C1	232299058	FCEVTEIRGVPDSW-SSDOTTSWSA-N	226.729	-0.151	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(O)CCCC1	232420837	XFMHRXXOWBDPLE-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
COC(=O)CNC(=S)NCCCl	244338009	XRVVXAHSLUGLLZ-UHFFFAOYSA-N	210.686	-0.138	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C/C1CC1	277987580	PGYPNJGYPRNPSD-AATRIKPKSA-N	212.249	-0.129	50	10	BBGE	
CC[C@H](CN1CC(=O)OC(=O)C1)OC	308586110	RYXDBFJHBSTHKI-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
COc1cnn(Cc2cccc(C(=O)NN)n2)c1	310700489	FODKJTIBVXDWME-UHFFFAOYSA-N	247.258	-0.062	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCc2nc[nH]n2)[nH]1	380990156	KWICPRYYFYBGTI-UHFFFAOYSA-N	240.658	-0.825	50	10	BBGE	
CC[C@H](C)[C@H](CNC(=O)C(=O)NN)OC	381200689	MKZUYTXQZNNMRX-BQBZGAKWSA-N	217.269	-0.846	50	10	BBGE	
C[C@@H](CN)CC(=O)NNc1ncccn1	381224764	JMHQCEVYYDJSPY-SSDOTTSWSA-N	209.253	-0.095	50	10	BBGE	
NNC(=O)c1c(-c2ccccc2)no[n+]1[O-]	381286824	ZQZCXIITHOHJRH-UHFFFAOYSA-N	220.188	-0.422	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCN(C)C2)C1)C(=O)NN	383896305	MUEJSHZUTSXWIN-PWSUYJOCSA-N	240.351	-0.360	50	10	BBGE	
CCOC(=O)/C(C=O)=C\NC(N)=S	383957688	CDCPBLSHDIHGKK-HYXAFXHYSA-N	202.235	-0.535	50	10	BBGE	
NNC(=O)c1coc(CN2CCCCC2=O)n1	395378192	XMCPOEFQKRTLCU-UHFFFAOYSA-N	238.247	-0.209	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H](CO)C1	395811540	LAVGILVZTCVLRY-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
COc1cccc(CCC=O)c1B(O)O	396034502	UUFIXMKOKXUBDG-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
Nc1c(B(O)O)ccc2scc(CO)c12	396254533	WRQJYCHLOKJSMP-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H](C)[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396536978	XQDVXZZYBMEICM-XXILOJSOSA-N	237.108	-0.227	50	10	BBGE	
CN1CCN(C(=O)CCl)CCC1=O	575509941	RFEALVCXFXVGKX-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
N#C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	584941222	HBLZHJLBTNOLFA-NSHDSACASA-N	244.059	-0.602	50	10	BBGE	
NC[C@H]1C[C@H](O)CN(C(=O)CCl)C1	642885359	FLSRGWNWWVDVOF-RQJHMYQMSA-N	206.673	-0.607	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)CC(=O)NN	687459832	ANZIIQHKAHOWJH-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)c(C)c1	690070231	ZVLNLQTXTROEMD-ONGXEEELSA-N	249.075	-0.352	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(C)(C)O)C(C)C	691012941	CIJOWUJHHBPJQO-UHFFFAOYSA-N	245.323	-0.365	50	10	BBGE	
CCNCC(=O)N1CCC(O)(C#N)CC1	692114372	RIPMNGJPRZQGTL-UHFFFAOYSA-N	211.265	-0.527	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)C2	700865219	FMKMERMCSFKQRR-UHFFFAOYSA-N	234.215	-0.506	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC2CCC1CC2	702017344	MDBILCRAZFBFLB-AMDVSUOASA-N	211.070	-0.059	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCn1cnnc1	707426555	VMKKAZQFDUSGAW-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H](O)C[C@H]1C2	710478808	QYEJQRLLSXEKMK-HLTSFMKQSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@H]1C1CC1	712805989	QLNAHRBUCSYXBG-YUMQZZPRSA-N	211.265	-0.471	50	10	BBGE	
C[C@@H](O)[C@H](O)CNc1nc(N)nc(CCl)n1	717375969	KWJAXVGXJQECBH-RFZPGFLSSA-N	247.686	-0.654	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723023894	RMBYEBXHMKXBQE-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CN(C)C)nn1C	733359656	WEWVKHLYISHLIA-UHFFFAOYSA-N	239.279	-0.949	50	10	BBGE	
C[C@@H](C(=O)N1CCC(O)(C#N)CC1)C1CNC1	821981433	UCDCEPXORBUTMM-SECBINFHSA-N	237.303	-0.281	50	10	BBGE	
CO[C@@H](CS(=O)(=O)NNC(C)=O)C1CC1	842574134	TUIWLDXEMIXTGX-QMMMGPOBSA-N	236.293	-0.618	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1nccnc1OC	910584011	RMYVELMHECSQBR-KFOINNEUSA-N	238.247	-0.135	50	10	BBGE	
C[C@]1(C(=O)NNc2ccncn2)CCC(=O)NC1	1298155468	QGYOUJZWGUNVLL-NSHDSACASA-N	249.274	-0.164	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)Cn2ncnn2)n1	1540668427	MPSPUPINTJDJDN-UHFFFAOYSA-N	248.250	-0.777	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(=O)[C@H]1CCCO1	1634156515	URAUBLXLUJYMHR-JGVFFNPUSA-N	240.263	-0.345	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cncnc1	1638766987	LCLSFMIXCDZNRF-UHFFFAOYSA-N	205.181	-0.648	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)CC#N	1644525304	VVOGNFNJOUKNEH-UHFFFAOYSA-N	212.253	-0.755	50	10	BBGE	
NC(=O)[C@H](N)CNC[C@@H]1C[C@@H]1Br	1877423126	NQZCYFMYGMVJBZ-HCWXCVPCSA-N	236.113	-0.828	50	10	BBGE	
C=CC1(O)CN(C[C@@H](O)CBr)C1	1881283411	USTNIMRSBLPPMO-ZETCQYMHSA-N	236.109	-0.025	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H](O)CCl	1882778668	YAAQPIJDOJLVJM-HRDYMLBCSA-N	204.701	-0.026	50	10	BBGE	
O=C(CCl)N[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O	1884552473	BCXUGRPRCFPJDM-HKVUECMASA-N	219.668	-0.384	50	10	BBGE	
CN(C)CCCOC(F)(F)C(=O)NN	1884747001	XMIYEWVXPPUTBB-UHFFFAOYSA-N	211.212	-0.463	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(CNC(N)=O)C1	1887053028	GHYLHQFRAOBUEQ-SSDOTTSWSA-N	216.672	-0.283	50	10	BBGE	
C#CC(=O)NN(C)S(=O)(=O)C(C)C	1888562615	XZDWRYVQXCZXIC-UHFFFAOYSA-N	204.251	-0.679	50	10	BBGE	
CO[C@]1(CN=C=O)CCCS(=O)(=O)C1	1891541395	VOZDNURZVKKMHZ-QMMMGPOBSA-N	219.262	-0.084	50	10	BBGE	
NC(CO)(CO)CN1CCSSCC1	1892607922	OKJUMZXGNSSPEW-UHFFFAOYSA-N	238.378	-0.635	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	1896272291	QQPJHXQIRDLGFA-XKNYDFJKSA-N	224.308	-0.999	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	1897279391	HUKMLMOWNAHZOL-OAHBRNHXSA-N	223.276	-0.473	50	10	BBGE	
CN1CCC[C@@H]2CCN(CC(=O)NN)C[C@@H]21	1899573626	GGWLBNYBDZSGOT-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](O)CN(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1900505795	HVLXUDRWJBXEHO-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NN(C)S(C)(=O)=O)CN1	1901374840	WVNHNYZECNSRQE-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1NC[C@H]1C	1901378151	XIYCRVCRMDXIBT-SFYZADRCSA-N	249.336	-0.705	50	10	BBGE	
CN(NC(=O)[C@H]1CC[C@@H](N)CC1)S(C)(=O)=O	1901378318	YVNNJMAEGOSGOX-OCAPTIKFSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1cc(NC2[C@@H]3CC[C@@H]23)ncc1F	1903011143	XLNBWWJIJVSWEV-PHDIDXHHSA-N	222.028	-0.279	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]2CC[C@@H]21	1906866693	JOKYLKMZCDWRQS-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
C[C@]1(O)CON(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908357937	KUQUOAOLBDCVLQ-WCABBAIRSA-N	243.307	-0.609	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	1910104286	PGETWVVMYNSYEE-JEZHCXPESA-N	239.080	-0.372	50	10	BBGE	
CS(C)(=O)=NCc1nc(C(=O)NN)cs1	1913514572	PYXWJYYESPYGGV-UHFFFAOYSA-N	248.333	-0.026	50	10	BBGE	
Cc1cc(C(=O)Nc2ncccc2B(O)O)co1	1913596463	TXGIEYWFJMNEHF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H](C)CCO	1917043772	WOYNBBHGMXPBHV-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2cccnc2=O)CC1	1917062472	ZAYUJZUACFXQIQ-UHFFFAOYSA-N	244.254	-0.074	50	10	BBGE	
CN(NC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N1	1923414014	PITMOVNWNVDXDE-ZCFIWIBFSA-N	243.263	-0.227	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]2CC[C@@H]21	1924447715	YXVHHNUBVKGKKP-CIUDSAMLSA-N	213.281	-0.524	50	10	BBGE	
CO[C@@H](C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927915349	FNGHTHCCAMMSBC-XHNCKOQMSA-N	215.297	-0.421	50	10	BBGE	
CNOCC(=O)N1CCC(O)(C#N)CC1	1928318069	YZZOSYXUDQQJOQ-UHFFFAOYSA-N	213.237	-0.986	50	10	BBGE	
O=C(NNCCO)c1ccc(O)cc1O	1929836685	NTQJKXZCNKCIFP-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
C[C@@]1(OCC2(C(=O)NN)CC2)CCOC1	1931266954	MMTBYPHZBPZQJA-SECBINFHSA-N	214.265	-0.048	50	10	BBGE	
COC[C@@H](C(N)=O)n1cnnc1CCl	1932160949	DBFGPMPVNCNDRQ-YFKPBYRVSA-N	218.644	-0.310	50	10	BBGE	
CCc1c(C(=O)NNC(N)=O)cnn1C	1932473476	BLAVVBDTSKHANX-UHFFFAOYSA-N	211.225	-0.704	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	1936082957	GYJQNCMXDKBWCT-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1936089355	BHIAOHDJCVOROS-UTINFBMNSA-N	227.308	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1936090228	HDYOIZFNDUZICI-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@@H]1CCCO1)C[C@H]1C[C@H]1C(=O)NN	1936094385	MPXZPFYLVSNQBD-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCO)C1CCC1	1936095222	VDQSLXPERKWISO-PSASIEDQSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC(O)C2)C1	1937044076	WWKQHUWDPRZVQU-SECBINFHSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1938466013	XUBOKXBMBGGMOY-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)C(=O)NN)CC1	1938621364	PXEZLDULHDTIBP-SNVBAGLBSA-N	229.280	-0.606	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1944894023	KLDDYUNJAUJPLO-ONGXEEELSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](CN1CCNC(=O)C(C)(C)C1)C(=O)NN	1945235353	ZTDYWYXCDVZCQY-MRVPVSSYSA-N	242.323	-0.930	50	10	BBGE	
COC[C@@H](CN(C)CC1(C(=O)NN)CC1)OC	1945912529	LFGJFIKXNWXZRA-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
CC(C)OC1CN([C@@H](C)C(=O)NN)C1	1955279799	HIPNTGLWPFGMPU-ZETCQYMHSA-N	201.270	-0.526	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(NC(N)=O)C1	1955959634	DZGAJDJBWFZBOY-YFKPBYRVSA-N	219.672	-0.260	50	10	BBGE	
NNC(=O)CCCN1C(=O)CC12CCC2	1958163353	UCEVXNDHRZFSBA-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
CNC(=O)CN1CCN(CCCCl)CC1	1960158937	IDJKQTSKMRUOKS-UHFFFAOYSA-N	233.743	-0.021	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2C[C@]2(O)C1	1961407565	VUQHILFAMZETBS-WPRPVWTQSA-N	213.281	-0.787	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2C)n1	1961718640	RIZCAOFYBCNIGZ-LURJTMIESA-N	207.042	-0.937	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)c1ccnn1C	1961788947	JAAXBZXLGNCIBB-ZETCQYMHSA-N	211.269	-0.375	50	10	BBGE	
O=C(N[C@@H]1CCn2nnnc2C1)OCCl	1974680723	CRWRTWQJIQWTQI-RXMQYKEDSA-N	231.643	-0.090	50	10	BBGE	
CN(Cc1ncon1)CC1(C(=O)NN)CC1	1976755942	OUXIDTGNVYPTJU-UHFFFAOYSA-N	225.252	-0.729	50	10	BBGE	
CC[C@@H](C)OC(=O)N[C@H](CB(O)O)C(=O)O	1976980053	SWGFFXBBDUQKRY-PHDIDXHHSA-N	233.029	-0.563	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@@H](CCO)C1	1979207294	XYFVWQIEWVPGEG-GUBZILKMSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ncc(Cl)n1C	1979278927	OCIBGANTMTVUQS-LURJTMIESA-N	245.714	-0.116	50	10	BBGE	
NNC(=O)CCCCN1C=CS(=O)(=O)C=C1	1983342577	VSPVWBKSCFHGSR-UHFFFAOYSA-N	245.304	-0.181	50	10	BBGE	
Cc1nn(C[C@@H](C)N(C)C)c(C)c1B(O)O	1983813311	XFKLESVCGPJBPG-SSDOTTSWSA-N	225.101	-0.870	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)CC1(C)C	1986377881	HJKFOSDLRWKWAU-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCN(C)C(=O)C(=O)NN	1991025269	IIQFGOBASLGZGY-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12CCOC[C@@H]1C2	1991328830	GQKLDWPFEFQSKM-WPRPVWTQSA-N	225.053	-0.903	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CO[C@@H](C)C1	1996343363	WBQQLEKCXFQVMH-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1cccc(F)c1OCCC1COC1	1998051028	PMCSIBKCKHVSFI-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
C[C@H]1COC[C@H](C)N1c1ccc(B(O)O)cn1	2004910942	AQGPNJRNDBTXAU-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cncnc1N1CCCCC12CC2	2004919020	SZRSLXWQDFMRAB-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@]2(CCO2)C1	2004929835	OHLZLOHGSUAXSM-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
C[C@@H]1C[C@H](N(C)c2ccncc2B(O)O)CO1	2004940596	YHXBZMVEELGAQP-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CCCCO2)nc1	2004950103	BGURMLVFSCVFOS-VIFPVBQESA-N	238.052	-0.896	50	10	BBGE	
CCCCOCCOc1ncccc1B(O)O	2004950252	CUKRUULWHDMFPV-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
Cc1cc(N2CC3CC(C3)C2)ncc1B(O)O	2005013746	ABZFCAQERSVWGO-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)CCO1	2005014365	KGVXURUOORFNBU-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CO[C@@H](Cn1cccc(B(O)O)c1=O)C(C)C	2008844647	QOSZCAOGFSNQFW-JTQLQIEISA-N	239.080	-0.801	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cncnc1	2009048811	DORFILHOZDIMDL-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011131812	HOBPOCXPSLQQRQ-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)C[C@@H]1C	2014926807	SBMFPYIBVNQBTL-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCOCCO2)C1	2021404524	QSQNWOOFSJNWKK-ZJUUUORDSA-N	243.307	-0.344	50	10	BBGE	
CN(CCF)C(=O)c1cc(B(O)O)ccc1F	2022201133	YULWKVUEAGXZKU-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@H]3CF)(C1)C2	2023852752	IDOVSGHCWIVGRR-PUSIOWJLSA-N	243.282	-0.431	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@H]3CCC[C@H]32)nc1	2052473230	RFKPZRJUDWWCFN-MNOVXSKESA-N	248.091	-0.481	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2OCC[C@H]2C1	2052490872	FUNCQZCVWOPTBF-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1B(O)O	2052554917	BNVPGNXFXYDEKD-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
Cn1cc(C2CN(CC3(C(=O)NN)CC3)C2)cn1	2074813551	LYVZHBLEXAVMCY-UHFFFAOYSA-N	249.318	-0.411	50	10	BBGE	
COc1ccccc1CC(=O)NCC=CB(O)O	2076082444	UIRIGRWVJCNHLH-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
Cc1cc(OCC2CN(C)C2)c(C)c(B(O)O)c1	2078788465	BNOGJFCGUMJEHI-UHFFFAOYSA-N	249.119	-0.076	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1cccc(B(O)O)c1	2079010521	PKVSPHLVNJMILY-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
OB(O)c1csc(COCCF)c1	2209233703	JEBZCOJECJDFSW-UHFFFAOYSA-N	204.031	-0.086	50	10	BBGE	
COCC1CN(Cc2cc(B(O)O)cs2)C1	2211078873	MDCGNOVWPGPNHM-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
CCN(CCN)Cc1cccc(B(O)O)c1	2211136172	WQUXOEDBWATSIJ-UHFFFAOYSA-N	222.097	-0.853	50	10	BBGE	
Cc1cn(Cc2nscc2B(O)O)c(C)n1	2211136648	VLOMKVLKUWXFAR-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@@H](C)C(=O)NN	2211399187	NSNNEZRCZJADJB-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
Cc1ncsc1[C@H](C)N(C)C(=O)C(=O)NN	2212005436	NIWQDQBDJUKDDZ-LURJTMIESA-N	242.304	-0.039	50	10	BBGE	
CCOCCN(C)c1cc(B(O)O)ccn1	2212602843	KMEUDGNYPPEFIN-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CC[C@H](CNc1cc(B(O)O)ccn1)OC	2212605820	KNIHXMNTXXRUQX-SECBINFHSA-N	224.069	-0.402	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2CF)cc1B(O)O	2212606768	ZVENUGNVYKFESU-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1(C)CC1	2212612789	OLXVXHDKBAVSAO-ZETCQYMHSA-N	221.069	-0.243	50	10	BBGE	
CC1(CCN=c2ccc(B(O)O)c[nH]2)CC1	2212615647	RXSYQLRSCPIKPA-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
OC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214592458	GFXFJHCNXFUORJ-NSHDSACASA-N	235.092	-0.819	50	10	BBGE	
CC[C@@H](CO)N(C)Cc1cccc(B(O)O)c1	2214600368	TYUDBOVQOUQLJN-LBPRGKRZSA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CCC2)CCC1	2216529377	ZLOGGBBGGDHQEQ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccc(=NCCOC(F)(F)F)[nH]c1	2217173403	QDYBBHVNIVUAQD-UHFFFAOYSA-N	249.985	-0.868	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)Nc1ncc(B(O)O)cn1	2217177988	PVNTWTBFJRGUDK-OIBJUYFYSA-N	237.068	-0.864	50	10	BBGE	
NC[C@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217180564	UUKCPIDVUMQODB-SVRRBLITSA-N	239.059	-0.950	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(C)cn1	2217183426	LGPAODGLOMOKNF-NXEZZACHSA-N	236.080	-0.341	50	10	BBGE	
C[C@@H](N)CC(C)(C)Oc1ncccc1B(O)O	2217184715	REIJNYRLHUGVOE-MRVPVSSYSA-N	238.096	-0.344	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2217188160	KMIUMKUNCQWFQN-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccoc1	2217197225	KZIZQISFKRGOSC-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CC1=C[C@@H](C)CN(c2ncc(B(O)O)cn2)C1	2217199071	AHHVXUSFCAPVTP-MRVPVSSYSA-N	233.080	-0.441	50	10	BBGE	
C=CC1CCN(c2ncc(B(O)O)cn2)CC1	2217200214	RNRBBHXUUGXBGH-UHFFFAOYSA-N	233.080	-0.441	50	10	BBGE	
OB(O)c1cnc(NC[C@@H](F)C2CCC2)nc1	2217201425	YFUBMIDRTLKPNN-SECBINFHSA-N	239.059	-0.294	50	10	BBGE	
OB(O)c1cnc(NCC2[C@H]3CCC[C@H]23)nc1	2217203279	SBZZLZYTWUUDMI-IUCAKERBSA-N	233.080	-0.386	50	10	BBGE	
CCN1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223651818	FHVHCWMHQKAACT-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(=NCCCN2CCCC2)[nH]c1	2223672107	DCSGBXNTLYBASY-UHFFFAOYSA-N	249.123	-0.919	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2223676845	GQZWZSBAHUJBEV-SCVCMEIPSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)C2(CC2)C1	2223679668	SJLBRKQRYKAONZ-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1C[C@@H]1B(O)O	2241481040	QHZBORYTOHISPD-DMTCNVIQSA-N	225.868	-0.231	50	10	BBGE	
COCCN(C[C@H](C)O)C[C@@H](O)CCl	2242089499	DUZBBNMOQAHJCG-IUCAKERBSA-N	225.716	-0.085	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2243347521	NASAWJGBHIJQDM-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243363887	NWFWLTPCGUQSAE-SFYZADRCSA-N	229.085	-0.077	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CO1	2243366095	XJWYRPRQQSZNLW-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1cc(B(O)O)cs1	2243378203	OPYBLOYXKVTUPB-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NN2CCC2)s1	2243382538	PJROGZQUUFROKY-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
Cc1nnc(CNC(=O)[C@H]2C[C@H]2B(O)O)s1	2243392733	WMSMPYFPXDBLMA-NTSWFWBYSA-N	241.081	-0.674	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)C2(B(O)O)CCC2)C1	2243397586	FFXOSTXDKZWVKR-SSDOTTSWSA-N	225.053	-0.222	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1N	2243408749	UOEDRLLJSYGZCH-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
O=C(NCCF)c1ncc(B(O)O)cc1Cl	2243414609	DWACZRNKUHIGNJ-UHFFFAOYSA-N	246.434	-0.886	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)sn1	2243415060	NKYFYQPWNHQSHC-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
C=C[C@@H](NS(=O)(=O)CC(=C)B(O)O)C1CC1	2243420264	PNGHHBMEEFHQTH-SECBINFHSA-N	245.109	-0.561	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2245144722	XTDYDIGBAYBTEB-UYXSQOIJSA-N	227.069	-0.779	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]3C2)n1	2247139617	AWCHUOUKJPOPQQ-YUMQZZPRSA-N	234.064	-0.774	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NN1CCCC1	2247721939	JDGIQOJZNFVSNL-UHFFFAOYSA-N	238.052	-0.992	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)o2)C1	2247739788	BLGVRXIFWXLCSK-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
CCC[C@@]1(CNC(=O)C#CB(O)O)CCCN1	2247742563	QJQTUNIRUZRBMV-NSHDSACASA-N	238.096	-0.960	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2csc(B(O)O)c2)C1	2247742844	VDHISKLORKQBKD-OTSSQURYSA-N	249.100	-0.431	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1NC(=O)C1(B(O)O)CC1	2247749949	BWKCHWMXBHZPKW-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](CO)C1)C1(B(O)O)CC1	2247753397	GLCQWCMGOMDOFZ-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
C=CCO[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247756413	LXXQCLZETGRWQB-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(CO)CCCC1	2247800325	NUFWYYKUSFYPNT-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CC1(CO)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247805795	LBEDIFLSDMDQRT-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@@H]21)C1CC(B(O)O)C1	2247806459	NFQQXOOUCLVSLG-YSPNUELXSA-N	238.096	-0.894	50	10	BBGE	
Nc1ncccc1NC(=O)C1CC(B(O)O)C1	2247807484	IKMOUHCXOTULAQ-UHFFFAOYSA-N	235.052	-0.145	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810603	YSXBTCOZOCPTRS-QEYWKRMJSA-N	240.112	-0.789	50	10	BBGE	
CC[C@@H](C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247849635	CKKDPCABEUIQND-MRVPVSSYSA-N	238.096	-0.187	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2247855275	PLNUARJOTRXIHX-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
O=C(NCCC1(O)CCC1)C1(B(O)O)CCC1	2247855760	XTHGUHPWDKTMDH-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cncc(B(O)O)c1	2247867957	BIJXHSJOPSZQTQ-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)C2(B(O)O)CC2)CC1	2247870443	JUELHLVMFNLSQG-IUCAKERBSA-N	240.112	-0.230	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cccc(F)c1B(O)O	2247870925	SJYSKRUMIUUBGB-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
CC(C)COC1CN(C(=O)C2(B(O)O)CC2)C1	2247871006	URDNMHMDSMSVFP-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1NCC2)[C@@H]1C[C@H]1B(O)O	2247886722	FRBFTFPUEYPUQQ-REIXXSIJSA-N	238.096	-0.750	50	10	BBGE	
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2B(O)O)ccn1	2247887017	JIEVZINCVRVEIS-BDAKNGLRSA-N	231.020	-0.245	50	10	BBGE	
CC(C)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1COC1	2247887254	MENBTRYEHTYWAC-VHSXEESVSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC1CC(CCO)C1)[C@H]1C[C@@H](B(O)O)C1	2247893168	NJSTVLBCUKNOSJ-XWJSGITJSA-N	241.096	-0.483	50	10	BBGE	
N=c1ccc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)c[nH]1	2247893424	RKXPFHXRPJLHHL-KNVOCYPGSA-N	235.052	-0.314	50	10	BBGE	
C=C1CC(CO)(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247903401	KDFUGOSQZNOYSL-DTORHVGOSA-N	239.080	-0.563	50	10	BBGE	
CC#CC(=O)N1Cc2ccc(B(O)O)cc2C1	2248408223	QEHNXBKDWLZQLM-UHFFFAOYSA-N	229.044	-0.768	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C(=O)O	2248575319	BAEHSUDMQOCRAI-NGJRWZKOSA-N	241.052	-0.972	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248576674	IPIARVCQKIKEHR-LURJTMIESA-N	243.068	-0.391	50	10	BBGE	
O=C(O)C[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CC1	2248587035	KSSPSSCUQQQLAK-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2248648192	UGGQGKKJYQCRLU-WCBMZHEXSA-N	241.096	-0.075	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249573683	DHZCSQYBDZUDHE-WYFGTUCQSA-N	241.335	-0.296	50	10	BBGE	
C=C1CC(CO)(Nc2cc(B(O)O)c(C)cn2)C1	2254219790	PZSRIKDJASGACQ-UHFFFAOYSA-N	248.091	-0.437	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)c(F)c1	2255511456	KACSJPFNCNQQNW-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255589472	QUEAQDWBKOXGEM-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255680687	SPPRSINOWHHDPP-MRVPVSSYSA-N	248.091	-0.267	50	10	BBGE	
CCc1nccnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2255685346	ZEWOAJZQLMNOAM-SFYZADRCSA-N	249.079	-0.482	50	10	BBGE	
O=C(Cc1ccncc1)N[C@@H]1CCC=C1B(O)O	2256680354	VKBWOBGURFLNQQ-LLVKDONJSA-N	246.075	-0.159	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H](C)C1CC1	2257494659	NDJBQBJOHQXCRS-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1ncccn1	2258124294	AHAIGKNLBNOIRV-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cocc1B(O)O	2258137108	SAZQUZDZUJGXLW-LAEOZQHASA-N	249.075	-0.122	50	10	BBGE	
Cn1ccc(CNC(=O)c2cc(B(O)O)co2)c1	2258139037	RGUSMQAPFJOTLL-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
COc1ccccc1C(=O)NCCC#CB(O)O	2258953347	BPYDPRDSEUUENA-UHFFFAOYSA-N	247.059	-0.170	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@@H](C2CC2)C1	2298369376	SDYMMVVHZDNSCR-IVZWLZJFSA-N	239.080	-0.513	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298375218	ALFSNMJAACSXTE-CKEKPRIKSA-N	239.080	-0.513	50	10	BBGE	
CN1CC(COCc2cc(C(=O)NN)co2)C1	2299034173	AMIIFOOLDKSJIZ-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C2(CC2)C1)C(=O)NN	2303424445	RNKNNZGUSCUQOG-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)C1CC(B(O)O)C1	2307311224	DVNILTOLIGLQRO-AMDVSUOASA-N	240.112	-0.422	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2C=C[C@@H]1C2	2312849968	IPIPZFLKEKWMIY-GZMMTYOYSA-N	244.059	-0.838	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1c[nH]nc1B(O)O	2312853443	ZIAIDMJPQCTMAU-FJXKBIBVSA-N	249.079	-0.992	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312942895	UFLRYQHNTZVWES-VWYCJHECSA-N	247.103	-0.036	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C1CCNCC1	37538085	VEUJXXYCIJQMEP-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
Cc1nn(CCBr)c(=O)n1N	39647544	BYLYYGLNZLFSAC-UHFFFAOYSA-N	221.058	-0.538	50	10	BBGE	
CC(C)CCOCCNC(=O)C(=O)NN	45113067	IUQNFNBMLGVMFS-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
C[C@H]1C(=O)NCCN1C(=O)CBr	82511233	YMYIQUSBEXKSPZ-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
CSCC(=O)NNC(=O)CSC	89994309	GYHCQROZBVWCKE-UHFFFAOYSA-N	208.308	-0.140	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNCC2)nc1	94763848	AIKDEGUJOUPLOG-UHFFFAOYSA-N	235.291	-0.910	50	10	BBGE	
O[C@H]1[C@H](O)[C@@H](Cl)[C@H](CCl)O[C@H]1O	97974439	ZIBMGOYQTGGDCE-MDMQIMBFSA-N	217.048	-0.728	50	10	BBGE	
CC[C@H]1C(=O)NCCN1[C@@H](C)CCC(=O)NN	110689257	XWRMSGLRMMWSFY-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
Cc1oc(CN2CCNCC2)cc1C(=O)NN	112172842	WSQVSTKUMDYGGZ-UHFFFAOYSA-N	238.291	-0.403	50	10	BBGE	
NC(=O)OCCNC(=O)NC(=O)CCCl	135268488	DYMSVAPCHULQLD-UHFFFAOYSA-N	237.643	-0.464	50	10	BBGE	
C[C@H]1[C@@H](C)SCCN1CC(=O)NN	156895719	WYFBVYCWUAYKSN-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O	169954395	SBBQYCLBXQJVIG-YUMQZZPRSA-N	230.142	-0.227	50	10	BBGE	
CC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)B(O)O	202341063	XHZZNKZVBHMLMF-IUCAKERBSA-N	244.100	-0.946	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCCCO	227147495	OBTZTYMAQDPRKF-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H](Br)C(=O)N1CC(O)C1	235419782	QEDUXCWCUJATBQ-BYPYZUCNSA-N	208.055	-0.027	50	10	BBGE	
COc1ccc2nc(B(O)O)sc2c1	238379077	WNQXWIWSDBBJEA-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
CC(C)(N)c1ccc2c(c1B(O)O)OCO2	258352237	GILCWKAWAAXXEF-UHFFFAOYSA-N	223.037	-0.711	50	10	BBGE	
OB(O)c1c([C@H]2CCCNC2)ccc2c1OCO2	258466364	WNVHSHQETGKIAA-QMMMGPOBSA-N	249.075	-0.438	50	10	BBGE	
CNNC(=O)[C@@H](N)c1ccccc1OC	259085968	OQTHRQKGZZKSRB-VIFPVBQESA-N	209.249	-0.054	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@H](CO)O1	299958193	GQBYVFMDWWISRQ-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@H](NS(=O)(=O)CCCl)C(N)=O	379563637	AFTJIZQMJAFYHI-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CCCCCC(=O)NN	385012643	QDBYNQYCVCYZEG-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
N=c1ccn([C@H]2C[C@H](Cl)[C@@H](CO)O2)c(O)n1	395297842	PRVPTKWTZHAFNZ-SHYZEUOFSA-N	245.666	-0.045	50	10	BBGE	
O=C(CCl)Cc1ccc(O)cc1B(O)O	396027174	XOPYBODUTXNAJH-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
O=C(O)CCc1ccc([N+](=O)[O-])c(B(O)O)c1	396054186	QMGGUPBMIDXDSU-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
CCOC(=O)CCc1cc(B(O)O)ccc1O	396059010	OFJAZMPLRAAZQO-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
O=C(O)c1cc2cc(O)c(B(O)O)cc2s1	396381706	LERYYXSSDQPDPM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)OCC(=O)Nc1cccc(B(O)O)n1	404995956	HOHCBJVJFIUOCQ-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C=CC(=O)NCCC(=O)NN(C)C(=O)NCC	490676026	UMVJQZWIGAAUKB-UHFFFAOYSA-N	242.279	-0.629	50	10	BBGE	
COC(=O)[C@H](Cl)CNC[C@@H]1COCCO1	690735538	FFVZXYPWBHMMCI-HTQZYQBOSA-N	237.683	-0.228	50	10	BBGE	
NC(=O)NNC(=O)CNC(=O)c1ccccc1	700868933	NJXUMQUHYUJVOC-UHFFFAOYSA-N	236.231	-0.884	50	10	BBGE	
CCCn1cccc1C(=O)NCB(O)O	702017489	NPDIWQMTBAXQPY-UHFFFAOYSA-N	210.042	-0.360	50	10	BBGE	
CCOC(C)(C)Cn1nc(C)c(B(O)O)c1C	702657759	URRAKVPFACIIKV-UHFFFAOYSA-N	240.112	-0.005	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507661	CMIXQUJGQYQWQO-HRDYMLBCSA-N	242.323	-0.659	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@H]2C1	706312414	PXKZMTXZQJCDOF-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOCC12CCC2	707233143	SDWMHRDQFMHCRD-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OCCOC)C1	707345603	FTZFMIBCSJYDEY-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCN(C)C1=O	708561948	PWNXLXXSGKDASB-XHNCKOQMSA-N	242.323	-0.837	50	10	BBGE	
CCOCCOCC(=O)NN(C)C(N)=O	770436297	BHXXQNVUJHQCPA-UHFFFAOYSA-N	219.241	-0.919	50	10	BBGE	
CCC[C@@H](O)CC(=O)NNC(=O)[C@H]1CCCO1	817216416	ZXXYPWDLCIKBPK-RKDXNWHRSA-N	244.291	-0.136	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cnn(C)n1	853382486	CMVNHLYKHCJHAS-UHFFFAOYSA-N	248.250	-0.902	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)/C=C/C2CC2)nn1	855188489	LKXQTEZFKLAONE-SNAWJCMRSA-N	235.247	-0.458	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	856756505	BLKHXEHVOWGBIS-FMCRUOTFSA-N	200.194	-0.734	50	10	BBGE	
C[C@H](NNC(=O)[C@H]1COC(=O)N1)C(F)(F)F	862321156	YZWVCSCBWNYKMW-IUYQGCFVSA-N	241.169	-0.334	50	10	BBGE	
CN(NC(=O)[C@H]1CC(=O)N1)c1ccccn1	862747654	YQALVFIXZVXDHR-SSDOTTSWSA-N	220.232	-0.563	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C	864992296	GPICGPOLWBWEFT-DSYKOEDSSA-N	215.253	-0.240	50	10	BBGE	
COC(=O)NNC(=O)[C@H](OC)[C@H]1CCOC1	1347918474	HCVGHPZFNKTZSV-NKWVEPMBSA-N	232.236	-0.575	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)cc(C)n1	1457727711	CIUXTDCJJVBRFN-UHFFFAOYSA-N	223.232	-0.548	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NN=c1cc[nH]cc1	1466784355	FEEKBLVBTVRSMB-SNVBAGLBSA-N	207.233	-0.116	50	10	BBGE	
CC(C)C(=O)NNC(=O)Cn1ccnc1C#N	1473008404	ULGYQHKRJPELAY-UHFFFAOYSA-N	235.247	-0.442	50	10	BBGE	
N#Cc1ccc(-c2ncc(B(O)O)cn2)cc1	1616187058	ZHRYZSKZTHDIDF-UHFFFAOYSA-N	225.016	-0.305	50	10	BBGE	
CS(C)(=O)=NC(=O)c1ccc(B(O)O)cc1	1631968829	VDXWIUUWDFZKGT-UHFFFAOYSA-N	241.077	-0.766	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1ncccn1	1638291066	WGPGWSLBRWAVMV-RQOWECAXSA-N	236.231	-0.560	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)c1ncccn1	1643045837	IRFGMLQAVRPFBI-UHFFFAOYSA-N	236.231	-0.847	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@H]2F)nn1	1650883219	OIBPQIWMBPRPOW-UHNVWZDZSA-N	239.210	-0.623	50	10	BBGE	
N=c1nn[nH]n1C[C@@H]1C[C@H]1Br	1877389562	JBFWINIMDLLQOQ-IUYQGCFVSA-N	218.058	-0.131	50	10	BBGE	
NC(=O)C1(N)CN(C[C@@H]2C[C@H]2Br)C1	1877427015	SFVIQBZKXZJWMB-NTSWFWBYSA-N	248.124	-0.732	50	10	BBGE	
CO[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1877520178	JWIHNBRSRJAEFU-OOJXKGFFSA-N	218.684	-0.283	50	10	BBGE	
O=C(F)NCCC(=O)N1CCOCC1	1887186981	VKHXKLKXTSHFOW-UHFFFAOYSA-N	204.201	-0.086	50	10	BBGE	
N[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1893454715	ZKWYVLJTYCWTAT-KVPKETBZSA-N	218.684	-0.466	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1O)C1CC(Cl)C1	1893490816	MUGVTYILADSEMJ-CRYROECRSA-N	219.668	-0.120	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H]2C1=O	1893853119	MANYWPIVGDSSCQ-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1[C@H](N)C1(C)C	1901340224	ALFRRAUCHQVBKC-BQBZGAKWSA-N	249.336	-0.718	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@H](O)[C@@H]1CF	1905009441	NFZWJGKEVUJNCM-ZTYPAOSTSA-N	225.647	-0.484	50	10	BBGE	
C[C@@H]1COc2ccccc2[C@]1(N)B(O)O	1912278420	YZBFSICQJYRDAF-XCBNKYQSSA-N	207.038	-0.119	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C1COC1	1915674966	YBXPPCKWCJNGIV-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
C[C@H](N)CS(=O)(=O)N1CC=C(C#N)CC1	1917091398	CICNQBIZCVJTCC-QMMMGPOBSA-N	229.305	-0.181	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)NCCC(N)=O	1923436422	AHKRZZFVRHSBNU-UHFFFAOYSA-N	246.267	-0.399	50	10	BBGE	
C[C@]1(Br)C[C@H]1C(=O)NCB(O)O	1923746626	KNVLNEVPMPRKMC-NJGYIYPDSA-N	235.874	-0.712	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)C(Cl)Cl	1923809675	QXLAFVRYDZISRN-SCSAIBSYSA-N	232.088	-0.339	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1CCOC1	1927915931	LUYCQWZKUWONGA-HRDYMLBCSA-N	214.265	-0.335	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@@H](Cl)C1	1928696280	LRTZLTYFKGQHCK-ZCFIWIBFSA-N	215.644	-0.487	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CC2)CO1	1930162303	UKKXAIKBGUBMAW-SSDOTTSWSA-N	215.253	-0.981	50	10	BBGE	
N[C@]1(B(O)O)CCCOC12CCOCC2	1934143150	OZDQNKPYFNWQLA-SECBINFHSA-N	215.058	-0.945	50	10	BBGE	
C[C@H]1OCCO[C@@H]1CN(C)CCC(=O)NN	1935550905	ZNDAZXXFQIBIDR-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936094526	OCEAZXMDYFBVBD-HKVZHJOJSA-N	247.364	-0.689	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@@H](C)CO1	1936533421	HQRHMLVBYQDHOH-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
O=C(Cn1ccnn1)N1CCOC[C@@H]1CCl	1937148549	FYTDNAUGJCVCAT-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](F)[C@@H](OC)C1	1937153331	JJOGXKUOCCHHIJ-YIZRAAEISA-N	233.287	-0.186	50	10	BBGE	
C[S@@](=O)N1CCc2cc(B(O)O)ccc2C1	1937505780	DDPCYEBNFGFYTB-MRXNPFEDSA-N	239.105	-0.982	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(C(N)=O)CCN(C)CC1	1939291249	KJNKNNWVHLBIOF-SSDOTTSWSA-N	247.726	-0.320	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941073613	MJWJAXHLQTWUAN-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CCc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)cn1	1941090052	YJVIPENONPPTHO-IONNQARKSA-N	236.275	-0.568	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H](N)[C@@H]1C	1946655050	XBWWPMAJMBSLPZ-DKCNOQQISA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@H]1[C@H](CO)C2	1951025094	GANRABDRSYCRMX-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCOC1	1951322032	QLOGYFABWKMSJP-SCZZXKLOSA-N	227.069	-0.512	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550115	VDVWPJXSMPLXIJ-ZEBDFXRSSA-N	221.684	-0.988	50	10	BBGE	
COC[C@@H](CF)N1CC(=O)OC(=O)C1	1957057431	GKGBDUCAPJMPCJ-ZCFIWIBFSA-N	205.185	-0.644	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)[C@@H](C)C(=O)NN)C1	1957582216	GGQQKMUOJPAOBC-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)CC(=O)NN)CC1	1958640197	UNTMSBLDQNACGX-KYZUINATSA-N	215.297	-0.134	50	10	BBGE	
Cc1noc(CN(C)[C@H](C)C(=O)NN)n1	1958691009	CTGNOSUCPCALJM-RXMQYKEDSA-N	213.241	-0.812	50	10	BBGE	
NNC(=O)CCCCN1CC=C[C@H](O)C1	1960247654	MIVTWXVIJHADEB-VIFPVBQESA-N	213.281	-0.621	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961509028	OHNZDYGPCHKKEX-DJLDLDEBSA-N	213.281	-0.526	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)[C@@H]1C	1961695954	LKCLIZZXIOIESB-HTQZYQBOSA-N	206.054	-0.394	50	10	BBGE	
CN1CC[C@@H](NC(=O)CCl)CC1=O	1972291192	XSGKOWKIUOTJFU-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
Cn1nnnc1CN1C[C@H](Cl)[C@H]2COC[C@H]21	1975949125	XFZDIZBGOXNMGQ-GJMOJQLCSA-N	243.698	-0.352	50	10	BBGE	
NNC(=O)c1cc(CN2CC(CF)C2)on1	1976240542	OXRMLAQKXNXMEP-UHFFFAOYSA-N	228.227	-0.321	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(CCCC(=O)NN)C1	1979550701	JKOPAJJSBPETTA-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H]1c1ncon1	1980871732	ARWARZCLIZOYRQ-SSDOTTSWSA-N	225.252	-0.414	50	10	BBGE	
CCc1cnn(-c2ncccc2B(O)O)c1	1981464180	ADBXPZFMQGPREP-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	1985953217	WVSHFEJVWOMZRF-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1CC(CO)C1	1990039582	SFKLEQIBGVDFQF-RTBKNWGFSA-N	229.324	-0.296	50	10	BBGE	
C=C(CN1CCCN(C(C)C)CC1)B(O)O	1992145097	IANVSECCYYAABB-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
CCC(=O)N1CCc2sc(B(O)O)cc2C1	1995022694	BLOYSUYPAIOPJB-UHFFFAOYSA-N	239.105	-0.277	50	10	BBGE	
CC[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C(C)C	1998136107	XHUWCZUZZRBESJ-JGVFFNPUSA-N	245.084	-0.289	50	10	BBGE	
COC1CC2(C1)CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1998925749	BCPYOPLELHOGCT-SCZZXKLOSA-N	239.319	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2ncc(O)c2C1	2002892153	DKSUFPKAVCPUEK-SSDOTTSWSA-N	239.279	-0.827	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	2003744340	MPQALTUSVYJGGR-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
Cc1cnc(O[C@H]2CO[C@@H](C)C2)c(B(O)O)c1	2004925691	TYWZSLCQPINICO-DTWKUNHWSA-N	237.064	-0.374	50	10	BBGE	
CC(C)c1cnn(-c2ncncc2B(O)O)c1	2005005210	NXYQEHKPZCREOB-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
COC1(Cn2cccc(B(O)O)c2=O)CCC1	2008843561	BCYKRKYIMCHEKO-UHFFFAOYSA-N	237.064	-0.903	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H](C2)[C@@H]1CO)C(=O)NN	2008974248	BFOAGMVOPCNCJG-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896884	FZBZEOHDPBQRJX-NZHYYXIDSA-N	241.335	-0.296	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@H]1CF	2016763870	NZLUPKPFTYWGJK-YUMQZZPRSA-N	237.039	-0.090	50	10	BBGE	
CO[C@@H](CN(C)CC(=O)NNC(C)=O)C(C)C	2019177417	RJDRUWCPNZXBJY-JTQLQIEISA-N	245.323	-0.244	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC2(CC1)COC2	2019214519	ZSFGZNKVYYXHKI-UHFFFAOYSA-N	241.291	-0.734	50	10	BBGE	
COC[C@@](C)(CN(C)CCCC(=O)NN)OC	2021116324	AOROECXPXAEACO-LLVKDONJSA-N	247.339	-0.260	50	10	BBGE	
C[C@H](C(=O)NCC#CB(O)O)[C@H]1CCCCO1	2021157854	SBLRTCCFZYWJNF-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(O)cc1F	2021165155	RHFLDNVKEUVHNM-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
C=CCOC(=O)NCc1ccc(B(O)O)cc1	2025205682	XVCIBQIRINVFMW-UHFFFAOYSA-N	235.048	-0.221	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1C[C@H]2C[C@H]2C1	2028436935	JIBWKXOBXQHJIK-DTORHVGOSA-N	246.075	-0.150	50	10	BBGE	
OB(O)c1cnn(Cc2cccc3nccn23)c1	2034288215	RQKGUBWLRGCBJE-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1[C@H]2CC[C@H]21	2041997318	NXBQROPKLKBQCY-IAZYJMLFSA-N	245.087	-0.361	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)c1ccncc1B(O)O	2054287981	UGHXFAFDBKKZBK-ILWJIGKKSA-N	248.091	-0.910	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1[C@@H]2CCO[C@@H]21	2056377563	ZCDVGKORDXHCKL-AXFHLTTASA-N	247.059	-0.660	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@H]2C[C@H]2C1	2058160934	OUXDQRHJFRHTMB-OUAUKWLOSA-N	247.103	-0.036	50	10	BBGE	
CC=C[C@H](O)C(=O)NN(C)C[C@H](C)O	2059304549	AHIHLFYYTVTRGR-YUMQZZPRSA-N	202.254	-0.733	50	10	BBGE	
C[C@]12CC[C@]1(C)CN(c1ncc(B(O)O)cn1)C2	2060858177	MPZCKKKUGQYDHH-VXGBXAGGSA-N	247.107	-0.217	50	10	BBGE	
Cc1nnc2cc(CN(C)CC(=O)NN)ccn12	2067868386	SUSRCEMJGQECEH-UHFFFAOYSA-N	248.290	-0.541	50	10	BBGE	
CN(C)CCN(C)Cc1ccc(B(O)O)s1	2211078154	LEJUEXIGFDBUIN-UHFFFAOYSA-N	242.153	-0.579	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2212601947	WIFSVUMJDXLVNA-IUCAKERBSA-N	221.069	-0.947	50	10	BBGE	
CC[C@@](C)(CO)Nc1ccc(B(O)O)cn1	2212604843	ZSLJDVIWPQLNOB-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
C[C@H]1C[C@@H]1CNc1nccc(B(O)O)c1F	2212605415	DDWDIPOMTOMLSY-NKWVEPMBSA-N	224.044	-0.032	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)[C@@H]1C	2212605512	GDGUHHFMXZHPOF-RNFRBKRXSA-N	224.044	-0.255	50	10	BBGE	
C[C@@H]1CNCCN1Cc1cccc(B(O)O)c1	2214595427	LTOHEUZNSFPLFP-SNVBAGLBSA-N	234.108	-0.840	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN(C1CC1)C1COC1	2215774279	DBFBARVOBVUEBS-GZMMTYOYSA-N	239.319	-0.134	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	2215776721	OPBMCGUQPPLJCW-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
N#C[C@@]12CN(CCCC(=O)NN)C[C@@H]1CCO2	2216068004	JXQADRSFZQYKNM-GXSJLCMTSA-N	238.291	-0.629	50	10	BBGE	
C[C@]1(COC[C@H]2C[C@H]2C(=O)NN)COCCO1	2216069719	ACEMIOVDRNBFQG-FXPVBKGRSA-N	244.291	-0.566	50	10	BBGE	
COCC(COC)OCC1(C(=O)NN)CCC1	2216533416	AWGQBQFYKLMHIC-UHFFFAOYSA-N	246.307	-0.175	50	10	BBGE	
C=CCC1(Nc2ncccc2B(O)O)CNC1	2217176319	UXEZRRIYXAKFCA-UHFFFAOYSA-N	233.080	-0.909	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCOC1	2217179138	GWEQZBDYKRGLMZ-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(NC[C@H](C)N(C)C)cc1B(O)O	2217179826	OVDDENSYYCAMMB-VIFPVBQESA-N	237.112	-0.568	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Nc1ccc(B(O)O)cn1	2217181909	WZCJMELDSSSYOZ-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cccnc1NCCCOC(F)F	2217183049	ISTYIWQIQVEERM-UHFFFAOYSA-N	246.022	-0.197	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CC[C@H]32)c1F	2217185270	UVIAWSQVWYZANG-IONNQARKSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1ccnc(OCCOC2CCC2)c1	2217190753	GASTZVJOAYDVIC-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
N[C@@H](COc1cc(B(O)O)ccn1)CC(F)F	2217194412	VXVBRSTWEVSAER-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
CSCCNC(=O)[C@H]1C[C@H]1B(O)O	2241481742	YIMGNPYQXDERAM-NTSWFWBYSA-N	203.072	-0.672	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CO1	2243347290	KWQNYGAKJUUIIG-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
C[C@H]1CN(C(=O)c2coc(B(O)O)c2)[C@H]1C	2243349151	GYDWKJXBVGZEMX-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ncsc1B(O)O	2243359681	WFJJYCZSNSUAQH-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)C#CB(O)O	2243362158	NBPQHVJLRPPSBR-BBBLOLIVSA-N	221.065	-0.209	50	10	BBGE	
Cc1nnc(CNC(=O)C2(B(O)O)CC2)o1	2243363371	FVCVRPOFNHCVLH-UHFFFAOYSA-N	225.013	-0.999	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)C1(B(O)O)CC1	2243363510	HWABWGWYLKLJIL-NKWVEPMBSA-N	231.032	-0.763	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)C1(B(O)O)CC1	2243363548	INRYPTSJLLSYJS-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
O=C(N[C@@H](CO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2243381148	CUCDWKVYFGVJIF-CIUDSAMLSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)cs1	2243385355	HECCVIGQMCEFAX-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)OC(F)F	2243395739	BIPQMSRMEAOQDO-NGJCXOISSA-N	237.011	-0.407	50	10	BBGE	
O=C(C#CB(O)O)N1CCS[C@@H]2CCC[C@@H]21	2243399204	JZLSOJUVQJNGDW-DTWKUNHWSA-N	239.105	-0.502	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@H]1C(F)(F)F	2243399431	LYGFPLVEZVOOLF-WDSKDSINSA-N	234.970	-0.541	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCC12CC2	2243401970	ZVYXAMPVGGOBKR-VIFPVBQESA-N	221.065	-0.207	50	10	BBGE	
CON(C(=O)c1sccc1B(O)O)C(C)C	2243407142	MCXVXBSIFTUZFK-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
C[C@H](CC[S@@](C)=O)NC(=O)C1(B(O)O)CC1	2243410670	FWUFXDYDJIVJDY-VGDKGRGNSA-N	247.125	-0.733	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243426704	KOTXQEFGDXYFDT-NYVJYKTGSA-N	247.125	-0.925	50	10	BBGE	
CCN(CC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243752109	FQHBXMTZVROCKB-LJGSYFOKSA-N	229.041	-0.828	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@H]2CN1CCC(=O)NN	2243807478	XJVZUBOOOQXQHM-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244212646	SVBLKEWHPBDRTA-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)co1	2244219875	SLOPJCCPWJRVAN-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244302641	RGDRJFKOHLZOAZ-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2cncc2C1	2244401159	SWFYLECTFSQSLR-SECBINFHSA-N	223.280	-0.533	50	10	BBGE	
C[C@H](C(=O)NCCC#CB(O)O)C1CCC1	2244548704	SUPIOEHIZBSVQG-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)C[C@H](C)O	2244882709	AIDCAIQMBXJMQT-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]2CCCC[C@@H]21	2246629614	IAHBKPGKAKVRSC-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
CN(CCc1ccccn1)C(=O)C#CB(O)O	2247741034	SYKCYJPUHBDWNR-UHFFFAOYSA-N	232.048	-0.902	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccoc2B(O)O)[C@@H]1C	2247743210	AOJRTYVLYUBBEC-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)C1(B(O)O)CC1	2247756024	KPLQVOADBJUMSS-XKSSXDPKSA-N	239.080	-0.635	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1occc1B(O)O	2247757857	XSTYUEIZVXJICV-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCC#N)c1	2247760776	NIFUPEHWMALJTJ-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)C(F)F	2247775970	SETGYFDBZHNANM-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC([C@@H](F)CO)C1	2247788035	YHABNFLYZBKECY-ZQARSLAVSA-N	245.059	-0.972	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@@H]1B(O)O	2247791030	KSUYDBZOVPICQJ-ZOZBQHSOSA-N	238.096	-0.752	50	10	BBGE	
O=C(NC[C@]1(F)C[C@H](CO)C1)[C@H]1C[C@@H]1B(O)O	2247793728	ZNXBQBQFQZIQKR-GHCJXIJMSA-N	245.059	-0.924	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247796770	CRRFCIYBIYQKKH-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ncccc2B(O)O)[C@@H]1C	2247869645	WEFFTDDIOGNJIW-HTQZYQBOSA-N	234.064	-0.758	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C(=O)C1(B(O)O)CCC1	2247878412	OEWXMNYCKVOZTP-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
NCC1(F)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247886387	BFHSACAMJSRAFV-HTQZYQBOSA-N	244.075	-0.861	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N[C@@H]1C[C@@H]1F	2247972828	SFOOYTBDURLHRU-DTWKUNHWSA-N	238.027	-0.402	50	10	BBGE	
C#CCC(=O)NCCc1ccccc1B(O)O	2248419700	GFOKNBYENCLSFT-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
Cc1cc(NC(=O)C[C@H](C)O)cc(B(O)O)c1	2248442272	WANAHULNSWWENS-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)[C@@H](C)C(=O)O	2248589041	LICGPCBQCAUROF-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)cn1	2249307142	FWKFLQZMMBZBLQ-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CNCC1(C)C	2251539113	DTQPZWABNGTXNW-QMMMGPOBSA-N	240.112	-0.550	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255463247	GSDHCGJNWKZKOO-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(C2CCC2)C1	2255468475	BFHBQBRTSLQKAJ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(F)cc1B(O)O	2255505458	XAPAUJSDBPRXJQ-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)cn2)CCC1	2255521677	ZCINJEXPQDSWII-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1ccccc1B(O)O	2255525707	IFXXLXQNMDLGOL-QMMMGPOBSA-N	247.059	-0.483	50	10	BBGE	
O=C(NC1(C2CC2)CCC1)c1c[nH]nc1B(O)O	2255549995	JHHGKNMUPXMWSB-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)c1ccoc1	2255554690	PRQMLKDMFXJHOE-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
Cc1cnc(C(=O)N[C@H](C)C2CC2)c(B(O)O)c1	2255556437	PEHQQLYEBFJRSF-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]2CC[C@@H]21	2255671874	XWWBPJGTZDBITI-KWQFWETISA-N	248.091	-0.291	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC[C@@H]2C[C@H]21	2255689548	MSOKQNGXYXDBKU-GMSGAONNSA-N	249.050	-0.260	50	10	BBGE	
CC/C=C\CNC(=O)c1nc(C)ccc1B(O)O	2255729682	ZHFRDJMIWUTDMK-PLNGDYQASA-N	248.091	-0.234	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@H]2C3)cc1	2258777667	YTRGAYRSEUGYDA-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
CCC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298368402	BPGWHZZBAIFGRQ-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCO1	2298369518	XKAPFOUVYFGTFJ-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371472	MBCMVRCVSXBZLK-KDXUFGMBSA-N	241.096	-0.628	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2298377448	RRCHJUOGMBCPTE-AATLWQCWSA-N	239.080	-0.371	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)[C@@H]1C[C@H]1B(O)O	2298377605	XOBNQWXVVZDGEY-NXJKFLNPSA-N	233.076	-0.524	50	10	BBGE	
CCC[C@@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298463289	XJNHPXKRKOJAMP-PRJMDXOYSA-N	243.068	-0.439	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1N(C)c1ncncc1B(O)O	2301232813	ICRBMRULPAPYNT-MBTKJCJQSA-N	235.096	-0.363	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCOC1	2301345753	JMHOCXCHFRUDIO-SNVBAGLBSA-N	232.048	-0.561	50	10	BBGE	
C[C@@H](CCN)Nc1ccc(C=O)c(B(O)O)c1	2301420711	KLPUKJNOFZCESM-QMMMGPOBSA-N	236.080	-0.672	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(CC1(C(=O)NN)CC1)C2	2301493608	YAWVQQLCLJOPFM-KKZNHRDASA-N	239.319	-0.398	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN[C@@H]2CCC[C@H]21	2302889827	OEHFROQZOXGDMW-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
CCn1ncnc1CN1CC[C@](C)(B(O)O)C1	2303099515	OSNUGDRDNOOESR-JTQLQIEISA-N	238.100	-0.263	50	10	BBGE	
CC[C@@](C)(Cn1nccc(C)c1=O)C(=O)NN	2303436956	GSKSZDXJHSDKEL-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
OCCC1(Nc2cc(B(O)O)c(F)cn2)CC1	2303848667	CDAXYBOURGVBGC-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@@H](C)[C@H]1C	2304109596	KUIFZGJFXLTQFE-JGVFFNPUSA-N	241.291	-0.547	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@@H](F)C2)n1	2307279245	LGKMZJFDHKBMFG-OCAPTIKFSA-N	240.043	-0.408	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(c1cc(B(O)O)ccn1)C2	2312614716	GHQTVNIGTFLACU-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ncccc1B(O)O	2312850060	NWYPDOHREMUDRS-WEDXCCLWSA-N	246.075	-0.710	50	10	BBGE	
CC1(COc2ccc(B(O)O)cc2C#N)CNC1	2317163165	WIISSASNMIWNCL-UHFFFAOYSA-N	246.075	-0.774	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CC[C@H]1N	2317165114	HRAUFBCAUBNNAF-GZMMTYOYSA-N	246.075	-0.646	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)C1CNC1	2317312261	DPUYBQFMBMXJEC-QMMMGPOBSA-N	249.075	-0.834	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)/C=C/C(=O)O)[nH]n1	6295233	SMXVQQSZCGBILQ-NSCUHMNNSA-N	238.203	-0.880	50	10	BBGE	
CN(C)S(=O)(=O)N1CCCC[C@@H]1N=C=O	20257998	QZMBHDGWZGFIGV-MRVPVSSYSA-N	233.293	-0.059	50	10	BBGE	
Cn1nnnc1N1CCN(CCCl)CC1	71063461	HKVADXHVUSKUSK-UHFFFAOYSA-N	230.703	-0.429	50	10	BBGE	
C[C@@H]1COCCN1CCCC(=O)NN	82467543	KYRCAHZMAYWZJZ-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccnc1	82467798	HZSOLTOQQPUWIA-UHFFFAOYSA-N	208.265	-0.107	50	10	BBGE	
C[C@@H](SCCS(C)(=O)=O)C(=O)NN	82514823	AJRJKOUFQARREK-RXMQYKEDSA-N	226.323	-0.857	50	10	BBGE	
CCCCOCCn1cc(C(=O)NN)nn1	84689235	HGXZHBLIVQSWQA-UHFFFAOYSA-N	227.268	-0.302	50	10	BBGE	
CCOC(=O)C1=CN2CCC(C=O)=C2NC1=O	105637438	YHWRYSQVBFWCOX-UHFFFAOYSA-N	236.227	-0.321	50	10	BBGE	
C[C@H](Sc1ncnn1C)[C@@H](C)C(=O)NN	128063445	FGJPBVQQINDQMN-RITPCOANSA-N	229.309	-0.078	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@H]1CO	135326651	WIUVQLDQFSKRPZ-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
CN(NC(=O)c1ccncc1)C(N)=S	146784652	QUUXAXQPQBTRER-UHFFFAOYSA-N	210.262	-0.098	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	149123020	UDWYKGPSLHPWPR-RQJHMYQMSA-N	215.253	-0.175	50	10	BBGE	
C[C@H]([C@H]1CCOC1)N1CC(=O)OC(=O)C1	158754775	TYKHCRDBEOYHGH-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
CN1CCCN(Cc2ccccc2B(O)O)CC1	199002462	OXICVPIWBNCLGL-UHFFFAOYSA-N	248.135	-0.496	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)B(O)O	213615992	ASNSCWBTALGNHQ-RKDXNWHRSA-N	244.144	-0.097	50	10	BBGE	
CCN(CC)C(=O)c1ccsc1B(O)O	216617759	FNMXMYDOFDXQMG-UHFFFAOYSA-N	227.094	-0.090	50	10	BBGE	
CO[C@H](C)COc1cccc(B(O)O)c1	228582870	SHVTXUPZEZGPEX-MRVPVSSYSA-N	210.038	-0.220	50	10	BBGE	
COC[C@@H](C)Oc1ccc(OC)cc1B(O)O	228667276	SCVDORHVUAPNMB-MRVPVSSYSA-N	240.064	-0.211	50	10	BBGE	
CC[C@H]1CN([C@@H](COC)C(=O)NN)CCN1C	232420209	XMUPUOCBFDAPPH-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
COCOc1c(B(O)O)cc(C)nc1C	238356585	IWTOGDQTABNQSL-UHFFFAOYSA-N	211.026	-0.639	50	10	BBGE	
C[C@H]1NC(=O)[C@@H]1C(=O)NNC(=O)OC(C)(C)C	238468665	OOSVZQCWDLFRDA-PHDIDXHHSA-N	243.263	-0.323	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@H](C)[C@@H](C)C(=O)NN)C1	310191112	YVWQBOYOSYHNJO-ZYUZMQFOSA-N	245.323	-0.918	50	10	BBGE	
Cc1nccn(Cc2cc(C(=O)NN)no2)c1=O	310944299	LYRIZRUVNKVRAK-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
COC[C@@H](C)CN(C)C[C@H](C)C(=O)NN	380115550	PIEYMJQCHAOBST-IUCAKERBSA-N	217.313	-0.173	50	10	BBGE	
CC(C)(CO)[C@@H](N)c1ccc(B(O)O)cc1F	383816300	DVHANWOXPAKRGW-JTQLQIEISA-N	241.071	-0.476	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCO[C@@H](C#N)C1	395700545	HPXOGISKXSZTKD-DTWKUNHWSA-N	240.307	-0.385	50	10	BBGE	
O=Cc1c(CO)sc2cccc(B(O)O)c12	396339810	QRYIVKZXJFYZIP-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](CC)C1	399926790	RDYQONMPJAFYNM-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CNC(=O)Nc1ccc(B(O)O)cc1F	405075325	DDKOEFDPGHTTIW-UHFFFAOYSA-N	211.989	-0.743	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)NC1CC1	405148504	OZRCIWYXMIFPOS-UHFFFAOYSA-N	238.027	-0.211	50	10	BBGE	
Cc1nnccc1C(=O)NNC(N)=S	606282984	JUHYEPWDBQWZDU-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
C[C@H](CN(C)C[C@]12COC[C@H]1C2)C(=O)NN	689285147	CZONCRCKCSBSIB-FXPVBKGRSA-N	227.308	-0.419	50	10	BBGE	
CN(N)C(=O)c1ccc2c(c1)OCC(=O)N2	704676845	XNBMBWOREMPGRT-UHFFFAOYSA-N	221.216	-0.037	50	10	BBGE	
CN(CCCl)CCN(C)CCn1cnnn1	712600820	ZNSZVUFUAHLLGM-UHFFFAOYSA-N	246.746	-0.225	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C/C=C\CO	717437890	RWQSQQUHOHQBTK-LQKKCHKWSA-N	211.217	-0.549	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC12CC(O)C2	724990816	OWPUDFHKVUWYTL-DMVAIXRQSA-N	237.255	-0.184	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1ncnc2c1=NCN=2	725589125	LUWHCXNDFNINOM-BYPYZUCNSA-N	225.639	-0.747	50	10	BBGE	
O=C(NN=Cc1cccnc1)[C@@H]1COCCO1	745211228	MDIXHXXTZCXETE-JTQLQIEISA-N	235.243	-0.053	50	10	BBGE	
O=S1(=O)C=Cc2cccc(B(O)O)c21	757128269	JZFPGTICMDFBMO-UHFFFAOYSA-N	210.019	-0.876	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2=CCC2)cn1	779949059	UAGCLCALJLADKA-UHFFFAOYSA-N	220.232	-0.099	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)CNC(N)=O)n1	849366813	QZZYCYDOAGCXSG-UHFFFAOYSA-N	238.251	-0.795	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)c2cn(C)nn2)[C@@H]1C	853382606	GVFMLBBQDJVSBH-RQJHMYQMSA-N	237.263	-0.044	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H]1C[C@@H]2O	907717038	XMTJGHLDZSVOEK-VQVTYTSYSA-N	225.697	-0.032	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1cccc(F)n1	908171606	RHLDDIVMGNWSOW-QMMMGPOBSA-N	243.238	-0.204	50	10	BBGE	
COC[C@@]1(C(=O)NN(C)C[C@H](C)O)CCOC1	910148649	DVJVCZCIVZYQMX-ONGXEEELSA-N	246.307	-0.617	50	10	BBGE	
C[C@H](CCl)N[C@@H]1C[C@@H]2NNC(=O)N2CN1	953000230	MFYFWYNBMQZHBR-FSDSQADBSA-N	233.703	-0.664	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2(C3CC3)CC2)nn1	1332894896	LCNBDFLUZHQTEO-UHFFFAOYSA-N	249.274	-0.234	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@@H]1CC(=O)OC1=O	1535676928	JZSBHKKDNHJMJA-YFKPBYRVSA-N	238.199	-0.236	50	10	BBGE	
O=C(C[C@H]1CCOC1)NNC(=O)c1ncon1	1538721554	ZUKQDYJWVMTIJZ-ZCFIWIBFSA-N	240.219	-0.743	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCC(=O)NC	1586363467	BLLCSIZOXQSPQV-FPLPWBNLSA-N	225.248	-0.317	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1nnc(C)o1	1625729434	VOLRIIUAUMURPG-UHFFFAOYSA-N	227.224	-0.729	50	10	BBGE	
C/C=C/C=C\C(=O)NNC(=O)c1ncon1	1627099400	BEMILAIEFFYUAZ-IAROGAJJSA-N	222.204	-0.037	50	10	BBGE	
CN(N)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	1879957360	AMTHXDAQICPPBA-ZCFIWIBFSA-N	233.268	-0.796	50	10	BBGE	
N[C@@H]1CN(C[C@H]2C[C@H]2Br)C1=O	1880436664	QHRGHSHLUYTFJH-HSUXUTPPSA-N	219.082	-0.061	50	10	BBGE	
NCCOCC(=O)NC[C@H]1C[C@@H]1Cl	1883554954	WOYIUYKFHQFPSE-RQJHMYQMSA-N	206.673	-0.295	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](CO)[C@@H](N)C1	1885200790	NISQZFGIQVRNFM-VGMNWLOBSA-N	217.700	-0.241	50	10	BBGE	
COC(=O)c1cc(S)cc(B(O)O)c1C	1887520896	KWDWVXYZLPYKOP-UHFFFAOYSA-N	226.062	-0.250	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CCO1	1889749887	HTBQYDZTRCGQQK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475342	SENPEWZNUIWKNJ-UUEMRFSQSA-N	221.640	-0.435	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ncccc1B(O)O)C2	1895126177	PFTMBKXRVBJHBN-GZMMTYOYSA-N	218.065	-0.392	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCOC[C@@H]32)CC(=O)O1	1895896783	PFWDNZVQRWKMPO-YIZRAAEISA-N	225.244	-0.346	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]2C(F)(F)F)n1	1896201232	DHFYEZUQYALLEG-NTSWFWBYSA-N	233.986	-0.239	50	10	BBGE	
O=C(NCCc1ncco1)[C@@H]1C[C@@H]1B(O)O	1900934991	DMJUYABRMYTHER-RQJHMYQMSA-N	224.025	-0.804	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1COCC1(C)C	1901131530	WMOROUAHKMQMND-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](N)C1	1901378094	WTWYUWBAYQZGRW-ZKCHVHJHSA-N	249.336	-0.574	50	10	BBGE	
C[C@]1(F)CCN(Cc2nc(B(O)O)cs2)C1	1902640166	AEBJXXLMHOMSHO-VIFPVBQESA-N	244.100	-0.243	50	10	BBGE	
CS[C@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1905229817	MFRWTQCXLGHIHV-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1CC[C@H](C(=O)NN)C1	1908365288	SRUMPORRMBCTNT-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
COCC1CN(CCCC(=O)NN)C1	1916281029	GWNHZJLURDSXAO-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CN([C@H]1CCNC1=O)S(=O)(=O)CCl	1916839738	RQROXJMHCLIUAB-YFKPBYRVSA-N	226.685	-0.667	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2COC[C@@H]2N)CC1	1917111382	BGHYXWYFNXXWJP-UWVGGRQHSA-N	221.260	-0.358	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@H]21	1935707251	SEADBIMODIEMJX-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1CNC(=O)C(=O)NN	1935970398	PEOQQHZNGZKURM-FNCVBFRFSA-N	225.292	-0.225	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cc([N+](=O)[O-])cn1	1936081964	BIRFYMXJNBUQKS-FSPLSTOPSA-N	225.208	-0.583	50	10	BBGE	
CN(CCCCCO)CCOCC(=O)NN	1936538254	XBJZYBVXHPGVPN-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940645187	PGGRDGGCMCTKDN-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(=O)[C@H](C)C1	1941988647	KFZRSEFMFGBUIQ-OCAPTIKFSA-N	241.291	-0.689	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)C[C@H]1C(C)C	1941990178	VUXJKCXQSSDKEA-JTQLQIEISA-N	241.291	-0.547	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H](O)[C@H](F)C2)o1	1944309219	SLPCIXDBOWQDFZ-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@@H]2CCOC[C@H]21	1945025096	XBUONKMZYCRRMQ-VVULQXIFSA-N	237.255	-0.062	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@@H]1C[C@H]1C(=O)NN)C2=O	1946991451	QGQDOIQEFGTGDA-UWVKOVSDSA-N	237.259	-0.993	50	10	BBGE	
O=C(CCl)NC[C@]1(O)CCCOC1	1953902161	KYWZEGURAXOFCI-MRVPVSSYSA-N	207.657	-0.117	50	10	BBGE	
CC(=O)N1CCN(CCCl)C(=O)C1	1954038074	FRGHQYUUFMKPBS-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCl	1954070488	ZFYLOYCGKQHDDS-SREIQFSDSA-N	245.753	-0.035	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C[C@@H](O)CCl)C1	1956439980	KZWHDLSLZYTBBK-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)C[C@@H](C)Cl	1957308360	VOFKDTLFEQAOKT-RITPCOANSA-N	223.656	-0.346	50	10	BBGE	
CC[C@@H](Sc1ncncc1N)C(=O)NN	1957980193	OCXDXAUCCVWSNK-ZCFIWIBFSA-N	227.293	-0.081	50	10	BBGE	
CC1(C)CN(C(=O)C(=O)NN)CC1(F)F	1958099802	MJFGGIWUHHBOBK-UHFFFAOYSA-N	221.207	-0.520	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2(F)F)C(=O)NN	1959160127	CQGYANQFLBCTBY-IYSWYEEDSA-N	221.207	-0.217	50	10	BBGE	
CC(C)[C@@H](O)CN(C)[C@@H](C)CC(=O)NN	1960662118	CJUFPIZONXDTMI-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CN1CCO[C@@H]2C[C@H]21)C(=O)NN	1961507566	BSVNQCJIWJVSGG-HTQZYQBOSA-N	213.281	-0.524	50	10	BBGE	
CC[C@@H](C)N(C)c1ccc(B(O)O)cn1	1961691482	OYMOUBMJXAAYKE-MRVPVSSYSA-N	208.070	-0.004	50	10	BBGE	
OB(O)c1cnc(Sc2cncs2)nc1	1961706493	VFKOIIKFHMFFKI-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	1976994242	HIIFTRQJNRWECT-FSPLSTOPSA-N	229.041	-0.925	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@]2(C(=O)O)C[C@@H]2C1	1977091085	KZNHLUKULTVOIE-GMSGAONNSA-N	227.264	-0.031	50	10	BBGE	
CCc1cnc(CN(C)C(=O)C(=O)NN)s1	1980771166	WNBRHXJOMXJAMC-UHFFFAOYSA-N	242.304	-0.346	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)CCS1	1981413340	FPKGNKSVMPZMBC-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
C[C@@H](COc1ncccc1B(O)O)N(C)C	1982817282	UNNASKYKWXSQIW-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	1984031763	QMHWXHLRQKFCHI-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)s1	1985738449	AIWCBFXUNODRPA-XPUUQOCRSA-N	241.316	-0.083	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cnsc1C(=O)NN	1985742951	NLPBRHQJFBXBRB-CAHLUQPWSA-N	242.304	-0.688	50	10	BBGE	
C[C@H](OC1CC(n2cnnc2)C1)C(=O)NN	1986221645	QVEDJHFYYRBWJG-KKMMWDRVSA-N	225.252	-0.623	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)CC1(C)C	1986377534	CSZLOUDJVIUEQL-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@H]1CCN1C)CC(F)(F)C(=O)NN	1987092001	JROOLNOKQWVFNP-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1991331493	PHQHFSXZEBGUKK-CIQUZCHMSA-N	221.065	-0.427	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1C(=O)C=CC(=O)Cl	1991647356	CNXKCTWTHOSBIU-HTQZYQBOSA-N	247.678	-0.084	50	10	BBGE	
COC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1Cl	1991678572	GMVVGQIUROOYTR-HCWXCVPCSA-N	249.650	-0.254	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCC1(F)F	1992147077	YVPDCJRROJDDCY-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
C[C@H](O)CN(CCCCC(=O)NN)C[C@@H](C)O	1997349641	DLLXKGWPDRYAFT-AOOOYVTPSA-N	247.339	-0.790	50	10	BBGE	
NNC(=O)C(F)(F)CN(C1CCC1)C1COC1	1998392503	GPRNBFLYQXNARD-UHFFFAOYSA-N	249.261	-0.135	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2[C@H](C)C(=O)NN)o1	2004409097	FQHASHUIUUVMDK-SVRRBLITSA-N	239.279	-0.107	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)c1ccc(B(O)O)cn1	2004911271	FBBODNFVBIIHGM-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](C(F)F)C2)nc1	2004920681	MFGMBTYTJIYENJ-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
Cc1cnc(O[C@@H]2CO[C@H](C)C2)c(B(O)O)c1	2004925690	TYWZSLCQPINICO-BDAKNGLRSA-N	237.064	-0.374	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CCCO2)C1	2004928232	CAGJDDBQZRGFNE-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H](CCO)C1	2005060632	LYTFYDCNUPAZIU-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2C[C@@H]2C1	2014928887	LXRUNKUVZHPZRY-JGVFFNPUSA-N	236.055	-0.253	50	10	BBGE	
C[C@H](F)CN1CCN(C[C@H](C)C(=O)NN)CC1	2015813039	BWMQEOZDKRMQGU-UWVGGRQHSA-N	246.330	-0.412	50	10	BBGE	
COC[C@H](C)COc1ncc(F)cc1B(O)O	2026061503	GRTFRQBIRHFLOK-ZETCQYMHSA-N	243.043	-0.438	50	10	BBGE	
NNC(=O)c1cncc(Cn2ccncc2=O)c1	2027475115	POHCTZBZZVAXMY-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC=C[C@H](O)C1	2046612139	RGDRFNDDEFNRLS-NWDGAFQWSA-N	247.298	-0.050	50	10	BBGE	
CCN(c1nc(C)ccc1B(O)O)C1CN(C)C1	2052551941	LQWOPVQVPUAGNE-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)ncc1B(O)O	2053734334	FBLDPMDOUNTRDC-QFOLPQNPSA-N	244.103	-0.086	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H]2CC[C@H]1O2	2058154533	FIJLIGDGWVDDEI-FBIMIBRVSA-N	249.075	-0.904	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2079008180	FSEFANLYXWOHKK-JQWIXIFHSA-N	249.075	-0.726	50	10	BBGE	
CC(C)COCC(=O)N1CC[C@H](B(O)O)C1	2208732399	SVMPZXGPJWMJRI-VIFPVBQESA-N	229.085	-0.266	50	10	BBGE	
C[C@@H](O)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211827657	KTDPBMIXAUYWHJ-NQMVMOMDSA-N	227.308	-0.685	50	10	BBGE	
CN1CCC[C@H]1COCC1(C(=O)NN)CC1	2211854054	FVAVIFBZALJTLI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2C[C@@H]2C)cc1B(O)O	2212604990	VXELQBVQSIWDQH-OIBJUYFYSA-N	220.081	-0.086	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1N	2214597750	ZHCOWFJSIVCKMA-BXKDBHETSA-N	234.108	-0.855	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@H]1CC[C@H]1C(=O)NN	2215770296	ATRUDENBESPVTA-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
COC[C@H](COC[C@H]1CC[C@@H]1C(=O)NN)OC	2215772182	MHHFSWLKMIHDQQ-BBBLOLIVSA-N	246.307	-0.320	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CC1(C(=O)NN)CCC1	2216490834	JZPQMXUDDANHLV-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CCNC[C@@H](CC)Oc1ncccc1B(O)O	2217165034	FAHXTQKAGZRKPU-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
CO[C@@]1(C)CCN(c2cc(B(O)O)ccn2)C1	2217176802	ANCKBJIDSDFBFV-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
C#CCN(CC(C)C)c1ncc(B(O)O)cn1	2217176962	CMSAMNDVKHPDFC-UHFFFAOYSA-N	233.080	-0.748	50	10	BBGE	
Cc1cnc(OC2(CN)CCC2)cc1B(O)O	2217185594	ZIPROADDIWHMQP-UHFFFAOYSA-N	236.080	-0.670	50	10	BBGE	
C=C[C@@]1(Oc2ccc(B(O)O)cn2)CCNC1	2217188211	LBIOOFJSZWLPSP-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)N1CCC1	2217203669	YPPFZJOTWZCYTL-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccnc(N2O[C@H]3C=C[C@H]2CC3)c1	2217204533	LBEFJWPUMWWHKK-UWVGGRQHSA-N	232.048	-0.400	50	10	BBGE	
OB(O)c1cccc(CN2CCC3(CNC3)C2)c1	2220054726	XOKDMZGLBATNIS-UHFFFAOYSA-N	246.119	-0.838	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1CCN	2223635447	XIPIRWLUVKJMTL-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
CC1(C)CNCCN(c2cc(B(O)O)ccn2)C1	2223636986	BXRVVQNTEAZXAH-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1ccc(NC2C[C@H]3COC[C@@H]3C2)nc1	2223639508	RRKNBKAXAPLWFF-IUCAKERBSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1F	2223653054	NREJKSNXWXAVIF-NCGICRJXSA-N	248.066	-0.033	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CCOC[C@H]32)nc1	2223665902	GDCTXQSYSNKWKF-GMTAPVOTSA-N	248.091	-0.544	50	10	BBGE	
OB(O)c1cnc(=NCCC2=CCCCC2)[nH]c1	2223679654	SBLSRZNLEMCQOQ-UHFFFAOYSA-N	247.107	-0.119	50	10	BBGE	
Cn1c(O)cn(S(=O)(=O)CCl)c1=O	2241379896	RVPTXVLFRCFMGU-UHFFFAOYSA-N	226.641	-0.733	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NC(=O)CCCl	2241858777	BHGREHKBYUMHJA-JKMUOGBPSA-N	207.657	-0.120	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)[C@@H]1C)C(=O)NN	2242160356	LPLCSRWGJQAZLL-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1cscc1B(O)O	2243346735	BRFMZUASVQWYHZ-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1	2243356551	JHVRHXVKOQAVIK-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)C#CB(O)O	2243357073	QSZDYFCUTGKTAJ-BBBLOLIVSA-N	223.081	-0.105	50	10	BBGE	
N#Cc1ccccc1NC(=O)C#CB(O)O	2243361639	FAHDHJJDQQCACL-UHFFFAOYSA-N	213.989	-0.488	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363282	DGCCQUIWJNHIFC-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243364386	WMYYCODFISVXKY-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(N1CCCC[C@@H](O)C1)C1(B(O)O)CC1	2243368533	JFCOBHNVSRMVQW-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
COCCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243383567	ZEQNWXXADMXMTD-IUCAKERBSA-N	227.069	-0.656	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)[C@@H]1C[C@@H]1B(O)O	2243396151	IIKAUPRNIALZMF-ODXREFDESA-N	225.053	-0.856	50	10	BBGE	
C[C@H](N)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243397054	UXFVBAMZAVVQRS-CIUDSAMLSA-N	228.101	-0.517	50	10	BBGE	
C=C=CCCNC(=O)c1ccoc1B(O)O	2243407480	SXEKAPCYSBBVIB-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1csc(B(O)O)c1	2243408262	KAJBLLKZWAOGBE-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCNC1	2243410396	ATFXXVPDQPLYCE-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
CO[C@@H](C)CCNC(=O)C1CC(B(O)O)C1	2243413477	GZWAQWUJAKNDLK-UEJVZZJDSA-N	229.085	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COC[C@@H]21	2243426304	GJSKHPHNUUVRAR-JBDRJPRFSA-N	225.053	-0.903	50	10	BBGE	
C=CC(=O)N1Cc2ccc(B(O)O)cc2C1	2243669029	SEIQVNTUVTWBLU-UHFFFAOYSA-N	217.033	-0.605	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)C=CCCC1	2243685038	MCFQSOAOUJLARH-LLVKDONJSA-N	221.065	-0.136	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244333403	VNHGJJWYTVTTBW-JXUBOQSCSA-N	227.308	-0.687	50	10	BBGE	
CC(C)[C@H](C)NC(=O)NCCC#CB(O)O	2244536914	OKFMUAUOOOSQFH-VIFPVBQESA-N	226.085	-0.264	50	10	BBGE	
O=C(C#CB(O)O)N1CC(c2ccccc2)C1	2247741965	INSBDSVKPHAOKI-UHFFFAOYSA-N	229.044	-0.372	50	10	BBGE	
CC1CN(C(=O)c2c(F)cccc2B(O)O)C1	2247752378	OFFUXBCBHZPKRK-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
N[C@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2247754915	NULWYICKUSCXIM-KCJUWKMLSA-N	238.096	-0.667	50	10	BBGE	
O=C(N[C@]1(C2CC2)CCOC1)C1(B(O)O)CC1	2247763634	PAXZZBWTLZAKJA-LLVKDONJSA-N	239.080	-0.321	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1n[nH]cc1B(O)O	2247784566	XIGYMCNNHCAYNR-BQBZGAKWSA-N	237.068	-0.898	50	10	BBGE	
CN1CC[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247796626	BHTALAOXXSFYOO-IDKOKCKLSA-N	240.112	-0.693	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247806530	FUKGTHFPZHVLGY-KXUCPTDWSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@@H]2CCC[C@H]21	2247855413	RRCHJUOGMBCPTE-UTINFBMNSA-N	239.080	-0.371	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1NC(=O)C1(B(O)O)CC1	2247857960	ZTUMJHWMCMMVBY-JGVFFNPUSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247859012	JJWZSRMMMDHCRL-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
O=C(N1CC[C@H](CO)C12CC2)C1(B(O)O)CC1	2247872819	YZOCQZNQUIDKAF-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
CCON(C(=O)C1(B(O)O)CCC1)C1CNC1	2247876992	AFBZLLYVZKLRPP-UHFFFAOYSA-N	242.084	-0.865	50	10	BBGE	
C[C@@H]1OCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247897612	VIGLYILPQTVQRK-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247899482	NOPPGYYADXRSKM-XFWSIPNHSA-N	240.112	-0.517	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247899652	PAZFRJHGTSBWNE-XHNCKOQMSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247903548	KWHAZHVFYLCGJF-HACHORDNSA-N	240.112	-0.504	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CCO	2247910438	OYQJHQHTLVZUIH-DTORHVGOSA-N	243.112	-0.141	50	10	BBGE	
O=C(NCC1CCCC1)c1cocc1B(O)O	2249416249	OTYDLBHDPRPJDH-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@H]21	2249419172	DDLKIKUKBFXOOT-GMSGAONNSA-N	235.048	-0.416	50	10	BBGE	
O=C(CC[C@@H]1CCCO1)NCCC#CB(O)O	2250000855	OIXUOSQHZUQEFE-JTQLQIEISA-N	239.080	-0.533	50	10	BBGE	
COC1CN(C(=O)c2c(C)cccc2B(O)O)C1	2255510320	VKTZYDKARAPBFD-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCCN2)c1	2255511910	QVIRKWFVWGQULZ-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CC1=CC[C@@H](NC(=O)c2n[nH]cc2B(O)O)CC1	2255547941	QBVWNEOCPARUPU-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)c1ccco1	2255549357	QWGDRAQKGUBZIR-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NC1(C)CC1	2255689302	JBPLYNPHTJKSQB-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
O=C(NCc1ccccn1)c1ccoc1B(O)O	2255721986	IRCWRQBRQIDSKC-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1occc1B(O)O	2255740950	IIKPDEVCOHOTTN-WCTZXXKLSA-N	247.059	-0.656	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@@H]1C2	2255764255	ZABWBGYYYPIBKC-OKTBNZSVSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CC[C@@H]3C2)oc1B(O)O	2255781090	IJJWLWDPPZNXIX-RKDXNWHRSA-N	249.075	-0.250	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1[C@@H]2CCC[C@@H]12	2258129622	XRMXEQKZSFHYDA-RKDXNWHRSA-N	249.075	-0.170	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C[C@H]2C1=O	2298165362	WARSIBIWWCEJMT-LXGUWJNJSA-N	237.259	-0.993	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]2[C@@H]1CO	2298369456	VBJHVBNWDPIFAN-SPFKKGSWSA-N	239.080	-0.921	50	10	BBGE	
O=C(NCCc1ncco1)C1CC(B(O)O)C1	2301082165	WVFRKHAYQCRFBX-UHFFFAOYSA-N	238.052	-0.414	50	10	BBGE	
CC#C[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301421042	PBVFHRHXIVDYRR-SECBINFHSA-N	232.044	-0.031	50	10	BBGE	
CC[C@H](O)C(=O)N1CCc2ccc(B(O)O)cc21	2317548868	GDISHEGJXZRMGZ-NSHDSACASA-N	249.075	-0.974	50	10	BBGE	
C=C1C[C@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	2319322947	JCKHQZXXSDMVNA-SNVBAGLBSA-N	243.071	-0.215	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](N)C1	70596858	XSDJFEKYASFDPR-SECBINFHSA-N	214.313	-0.430	50	10	BBGE	
CCC(=O)N1CCN(C(=O)NN)CC1	71508011	QDEXOPLIQVCTQI-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCSC2=O)O1	82471405	YHHPUHUWKMTFLK-BQBZGAKWSA-N	245.304	-0.307	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ccc(=O)cc2)O1	110601625	QJVJCJMYEBBTAW-UWVGGRQHSA-N	237.259	-0.614	50	10	BBGE	
COC1CCN(Cc2cccc(B(O)O)c2)CC1	199004346	YVMSZCJWQXDUPF-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cc(F)ccc1Cn1cncn1	203175720	DTHLQMIFIHVUHZ-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](N)C1	203229494	NXOLWHUEXGLORY-YUMQZZPRSA-N	200.286	-0.822	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(=O)NC(C)C	211807428	KNXJIDXYAFMOMB-SECBINFHSA-N	244.339	-0.399	50	10	BBGE	
COC[C@H](C)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223097582	AVGXXIKCNQLUAF-GUBZILKMSA-N	245.323	-0.509	50	10	BBGE	
O=S(=O)(Cc1cccs1)NCB(O)O	224050536	JZWDPWAYQZRJJQ-UHFFFAOYSA-N	235.095	-0.821	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H]1CO	228656083	SQLZTUVRBKQWIY-JGVFFNPUSA-N	204.657	-0.190	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)OC(C)(C)C1)C(=O)NN	228983653	SUXRNYCNXBWWNA-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
O[C@@H]1CN(c2nnc(CCCl)o2)C[C@H]1O	236536987	WLBDMTQHLHHCNI-PHDIDXHHSA-N	233.655	-0.607	50	10	BBGE	
O=CN1CCN(C(=O)NCCCl)CC1	242770355	DRNGQVCYVHMFIU-UHFFFAOYSA-N	219.672	-0.291	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251566160	SLNPJSCFLZCMMG-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccccc1	252621405	MXWBUEOGSZFILL-UHFFFAOYSA-N	205.217	-0.117	50	10	BBGE	
CNNC(=O)[C@H](N)C[C@H]1CCCN(C)C1	258972948	DFPSZLUDYUAHMP-RKDXNWHRSA-N	214.313	-0.704	50	10	BBGE	
CCC[C@@H](SCC(=O)NC)C(=O)NN	300785036	GIHJKLMOXGWLNF-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
CCN1CCCN(C(=O)NN)[C@H](C)C1	306314513	YVAUXNJXXOSFCR-MRVPVSSYSA-N	200.286	-0.014	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C[C@@H](C)C(=O)NN	307226061	FPLFLDSNJPUMOV-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
O=C1NCCN2[C@@H]1NC[C@H]2Br	307226654	VVWCCHGFURZHRO-WHFBIAKZSA-N	220.070	-0.932	50	10	BBGE	
CO[C@@H](C)[C@](C)(O)C(C)=NNC(N)=O	308336945	QTOMDNBWUJLWKQ-POYBYMJQSA-N	203.242	-0.184	50	10	BBGE	
C[C@@H](CN(C)C)CN1CC(=O)OC(=O)C1	308883520	FOAYCRNUGSZXMA-QMMMGPOBSA-N	214.265	-0.431	50	10	BBGE	
CNN(C)C(=O)c1nc(Cl)c(N)nc1N	309114273	KSLUKBURXXQZLI-UHFFFAOYSA-N	230.659	-0.499	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[S@](=O)CC1	321844236	FTSFLZYUZMTNPC-GLEZIHRCSA-N	233.337	-0.791	50	10	BBGE	
CC(C)(CCN1CC(CC(N)=O)C1)C(=O)NN	382214350	JJNCQKUPRVDLIZ-UHFFFAOYSA-N	242.323	-0.800	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1B(O)O	383863825	OLRHHDWLAYQDLH-BQHMLIOBSA-N	240.112	-0.781	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1[C@H]2COC[C@H]21	385897719	FHVVJPQAAOOCJO-CWKFCGSDSA-N	247.678	-0.225	50	10	BBGE	
CNC(=O)CSCc1nc(C(=O)NN)co1	386949303	INHVKMDFJQXDAY-UHFFFAOYSA-N	244.276	-0.743	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	395383377	UHIUAKWDYDHLEK-FKSUSPILSA-N	227.264	-0.952	50	10	BBGE	
Cn1ccc(C(=O)Nc2ccccc2B(O)O)n1	404932481	FNOLKJIQBQBIHD-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
OB(O)c1ccc(CNCC2COC2)cc1	585049364	OROBZRZZVFGGCT-UHFFFAOYSA-N	221.065	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@]12COC[C@H]1C2	689285227	DXQLTVQMMYENLC-UXCLJVHYSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCCC[C@@H]1C2	693536209	LTMOWDUGQZZAID-XCBNKYQSSA-N	211.265	-0.327	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H]3C[C@@H]3C2)n1	694230133	SQTXKKNCYJCIHX-UTLUCORTSA-N	220.081	-0.001	50	10	BBGE	
CN(CCCC(=O)NN)CC1(C)COC1	702970389	VQHHLEKSBLRKLX-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(n2cccn2)C1	707399721	OACAAUBFCQSXHC-VIFPVBQESA-N	237.307	-0.102	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](CN=C=O)C1	709813367	BWBZVZBUWKCYCO-MRVPVSSYSA-N	218.278	-0.006	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](CF)C1	711447275	JIPZXPZWBCENGS-SFYZADRCSA-N	219.260	-0.717	50	10	BBGE	
CC1(C)C[C@H]1C(=O)NNC(=O)[C@H]1COCCO1	752033052	IUCQLUFLDPEUSO-JGVFFNPUSA-N	242.275	-0.405	50	10	BBGE	
CCC(=O)NN[C@@H](C(=O)OC)C1CC1	781588202	PJODZZVYQAVQAR-MRVPVSSYSA-N	200.238	-0.031	50	10	BBGE	
CC(=O)NNC(=O)c1cc2c(cn1)OCCO2	818998025	AFJMYOFWTXQTMG-UHFFFAOYSA-N	237.215	-0.366	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862460135	GDFLBQDAPVMJDF-CZEYKFRCSA-N	239.275	-0.231	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=CCC[C@H]2CCO2)N1	863151356	LDWGSWJPXSGGEY-DTWKUNHWSA-N	239.275	-0.064	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NN(C)[C@H](C)CO)C1	911445171	OAADQPIOUYJNNQ-YIZRAAEISA-N	216.281	-0.245	50	10	BBGE	
O=C(NCC(Cl)Cl)C1(O)COC1	1449122003	UQLYALXSZSVDJH-UHFFFAOYSA-N	214.048	-0.332	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(O)cn1	1557463613	KSRJPVZWCCBZEE-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
COC[C@@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883565516	CGGTVXFJGUZZDE-DSYKOEDSSA-N	206.673	-0.296	50	10	BBGE	
O=C(O)Cn1nnnc1[C@H]1C[C@@H]1Cl	1883645329	NTDRMCPCYQFBCH-IMJSIDKUSA-N	202.601	-0.148	50	10	BBGE	
C=C(Cl)COc1ncncc1B(O)O	1885153149	JRJKGNDYWUJOLY-UHFFFAOYSA-N	214.417	-0.712	50	10	BBGE	
CN1CCN(C(=O)F)[C@@H](C(=N)NO)C1	1887186232	KJMGLPYDQJAURQ-RXMQYKEDSA-N	204.205	-0.352	50	10	BBGE	
OB(O)c1cc(F)cnc1OCCF	1887687779	UONORYBADYTNMO-UHFFFAOYSA-N	202.953	-0.751	50	10	BBGE	
O=C(NNCCO)[C@]12CCOC[C@H]1C2	1891563391	PBAQHAOACYHVGY-APPZFPTMSA-N	200.238	-0.974	50	10	BBGE	
OB(O)c1ccc(N2CCSC2)nc1	1892080788	KSEUMFNWWDKPKX-UHFFFAOYSA-N	210.067	-0.728	50	10	BBGE	
O=C(O)C1(CO)CN(C[C@@H]2C[C@@H]2Cl)C1	1893117341	AAIBEXQZHZNIKI-BQBZGAKWSA-N	219.668	-0.007	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@@H]1C[C@@H]1Cl	1893475950	ZLXRNMXKQRGVDM-RNJXMRFFSA-N	221.684	-0.185	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@H]1F	1895382393	VONOOZGXTMECOP-RNFRBKRXSA-N	224.000	-0.942	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]2C(F)(F)F)c1	1896201115	CHANUJSUDLQFSM-CAHLUQPWSA-N	233.986	-0.239	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H](C)N1	1901338896	FCVKNSVMKRUDSR-YUMQZZPRSA-N	249.336	-0.560	50	10	BBGE	
C[C@@H]1CN[C@H]1C(=O)NN(C)S(=O)(=O)C1CC1	1901343029	UMDJCBYEMPZENA-HTRCEHHLSA-N	247.320	-0.951	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](CN)C1CC1	1901347986	ACSIPKQXCIYZFH-QMMMGPOBSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H]1C[C@@]1(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901359933	OKJKOMCPXCWSND-MUWHJKNJSA-N	247.320	-0.821	50	10	BBGE	
C[C@@H](COC[C@@H]1CCCN(C)C1)C(=O)NN	1901444520	ZWWBUVPHTQYTFK-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1C(S(=O)(=O)N2CC[C@H](B(O)O)C2)[C@@H]1C	1902514864	YRMHHBRNFNXSLB-PRJMDXOYSA-N	247.125	-0.481	50	10	BBGE	
OB(O)c1cc(O[C@@H]2C=CCC2)ncc1F	1903025222	UKXKHURGBWBMSX-SSDOTTSWSA-N	223.012	-0.002	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](O)CC12CC2	1906937965	JOTODYIVDROAJC-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC[C@@H]3C[C@H]23)nc1	1909424729	NTZLIGSRWWCSRO-WEDXCCLWSA-N	234.064	-0.419	50	10	BBGE	
COC[C@@](C)(CO)CNS(=O)(=O)CCl	1926989229	GDFQAZSGDKWJFR-SSDOTTSWSA-N	245.728	-0.253	50	10	BBGE	
N#Cc1nccn1C[C@@H]1C[C@@H]1C(=O)NN	1927910093	CQUJTXNYSLJQOG-BQBZGAKWSA-N	205.221	-0.619	50	10	BBGE	
Cn1cnnc1SC[C@H]1C[C@H]1C(=O)NN	1927917749	MONSFIZAUIJULM-PHDIDXHHSA-N	227.293	-0.467	50	10	BBGE	
Cc1ccc(C(=O)NNCCO)c(C)n1	1929836213	FQYXKFGHWRHRON-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Cn1cc(B(O)O)cn1	1930302862	HTJIGMJDSSTFLT-RKDXNWHRSA-N	208.070	-0.001	50	10	BBGE	
O=C(CCl)N1C[C@H](CO)[C@@H](CCO)C1	1930351043	FKOFEPKSLRJERU-JGVFFNPUSA-N	221.684	-0.326	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936092694	YYIGASKABLIEBM-AATLWQCWSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1936239684	VLURAXAXEQVOKC-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)COCCSc1nccnc1N	1936527120	SKIQCCWSZGPUSB-UHFFFAOYSA-N	243.292	-0.843	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@@H]2OCC[C@@H]2C1	1941086538	JIRWXUGPBGIDJD-RCWTZXSCSA-N	239.319	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2nccc2C1	1941178734	SOPWZOQFAIILPH-SNVBAGLBSA-N	237.307	-0.143	50	10	BBGE	
O=C1CCN(CC(=O)NNc2ccccn2)C1	1941992570	YMBYZYQPOGFZOP-UHFFFAOYSA-N	234.259	-0.201	50	10	BBGE	
C[C@@H](CN1C[C@]23CC[C@]2(COC3)C1)C(=O)NN	1942762758	VUQZWZIVSRQEQT-ZMLRMANQSA-N	239.319	-0.275	50	10	BBGE	
COC[C@H](N)CC(=O)N1CCC(O)(C#N)CC1	1944264997	CJTOPMHKGISOKT-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCCO2)C1	1947537845	VNGZICJJYFKYGX-BDAKNGLRSA-N	241.291	-0.606	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NN(C)C)C1	1950034115	SCVDRBFYZFNXAE-HTQZYQBOSA-N	245.279	-0.406	50	10	BBGE	
COC[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1	1951321792	HEZPLWHTGKLVGF-JGVFFNPUSA-N	215.058	-0.656	50	10	BBGE	
N#C[C@H](O)[C@H](N)Cc1ccc(O)c(O)c1	1952838064	GFMJMKFYMRFWFG-XCBNKYQSSA-N	208.217	-0.148	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCl)CC[S@@]1=O	1954066861	FZXCCCSIRICPFB-QTTZVWFDSA-N	245.753	-0.035	50	10	BBGE	
O=C(CCl)NC[C@H]1CCC(=O)NC1	1954436852	VOFHFFSQIZKQSJ-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](N=c2[nH]nco2)C1	1954866034	UQHWENVJSQMJLE-WDSKDSINSA-N	202.645	-0.175	50	10	BBGE	
CC[C@@H](SCCOCCN)C(=O)NN	1956690338	NYELYHGRJXKBGM-SSDOTTSWSA-N	221.326	-0.537	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2(F)F)C(=O)NN	1959160126	CQGYANQFLBCTBY-FSPLSTOPSA-N	221.207	-0.217	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC2(CC2)C1	1960944128	MDWCTIYLNFWSQU-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
OB(O)c1cnc(OC2COC2)c(Cl)c1	1961687816	OTFNTZXBWIKMEX-UHFFFAOYSA-N	229.428	-0.808	50	10	BBGE	
C[C@@H]1CCCN1c1ccc(B(O)O)cn1	1961689928	GFPRBOGEEFJULV-MRVPVSSYSA-N	206.054	-0.250	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1Cl)N1CCC1	1963688956	BBBKMWGCBJPMEP-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	1978979419	IADUASGCLBLSMF-FBIMIBRVSA-N	227.308	-0.541	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CC[C@@H]2C[C@H]21	1979019259	LDBDLGSCENXDIU-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C=C(CCl)CN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1	1979507085	CASOAGJDLGGLQF-OCAPTIKFSA-N	243.694	-0.920	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]2C2CC2)nc1	1981413484	HIGSVCHJEKWBOE-JTQLQIEISA-N	218.065	-0.250	50	10	BBGE	
COC[C@H](C)Oc1ncc(B(O)O)cc1C	1981421998	IGDOZWRQQZENNH-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)[C@H]1C	1981424849	ZIKKFUIUXZSYBE-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
C#C[C@@H](CCl)Nc1cc(=O)n(C)c(=O)n1C	1983008840	WPRQYJNKYGKFGY-ZETCQYMHSA-N	241.678	-0.264	50	10	BBGE	
CC1(C)CC[C@@H]1n1cccc(B(O)O)c1=O	1984102357	SOVZPSRJENMFSM-VIFPVBQESA-N	221.065	-0.111	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1COC2(CCC2)C1	1984300591	KFYAZSGNMSNKSZ-SSDOTTSWSA-N	227.264	-0.854	50	10	BBGE	
O=C(OCCl)N1CC(=O)N2CCOC[C@H]2C1	1986929736	XLNQSWRMXCPRFO-SSDOTTSWSA-N	248.666	-0.138	50	10	BBGE	
CN(CCC(=O)NN)CC12CC(C)(CO1)C2	1990323774	IQAMYPTYBVUMNN-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	1991326146	DEKSIFRNHZOPHZ-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](N)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1991682008	GGNKKIHORIPUKO-CWKFCGSDSA-N	245.710	-0.725	50	10	BBGE	
CCC[C@H](C)C(=O)Nc1ncc(B(O)O)cn1	1996647862	SEQNXUHFGCWWBE-ZETCQYMHSA-N	237.068	-0.469	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1C[C@H](C)C(=O)NN	2004015294	AOKGUUINUYAPKJ-QWRGUYRKSA-N	242.367	-0.116	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H](C)C2)c1B(O)O	2004973715	YYJKICJOGMYROG-MRVPVSSYSA-N	235.096	-0.299	50	10	BBGE	
Cc1ccc(B(O)O)cc1COCCN(C)C	2007009321	OSVPITBSXUMBFD-UHFFFAOYSA-N	237.108	-0.247	50	10	BBGE	
COC[C@@H](OCCCN1CCCC1)C(=O)NN	2007019861	GYLNOYBJTHZWNG-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
COc1cc(OC)c(C(=O)NNCCO)cn1	2008281210	ODCPNFLWXSNVLA-UHFFFAOYSA-N	241.247	-0.675	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)CC(C)(C)O1	2008482804	VJFDPKNQGBPJKS-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)CC12CC2	2014772576	VPPPSEICLFCPLB-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(C)(C)C(=O)O	2016610937	QAIFZLIBGPXUFM-UHFFFAOYSA-N	245.279	-0.804	50	10	BBGE	
CC1(F)CN(C[C@H]2CCC[C@@H](C(=O)NN)O2)C1	2018242630	LTISIPBPRUNDBI-BDAKNGLRSA-N	245.298	-0.042	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C(C(F)F)[C@H]2C1	2019178338	DIUXNGPWIKADLZ-BQBZGAKWSA-N	247.245	-0.403	50	10	BBGE	
CCc1cc(B(O)O)ccc1OCC1COC1	2020680494	HBNGNUOJOQGFTN-UHFFFAOYSA-N	236.076	-0.046	50	10	BBGE	
NNC(=O)CCCN1Cc2cc(O)nnc2C1	2025566801	DCSDVMLVZVERTN-UHFFFAOYSA-N	237.263	-0.732	50	10	BBGE	
COc1ccc(Cl)c(C#N)c1B(O)O	2060105643	HHTLDINPKIHSOG-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1cc(OC)c(C=O)c(B(O)O)c1	2060137355	UQJLNJXCXXTZKO-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
N#Cc1cc(F)cc([N+](=O)[O-])c1B(O)O	2060169830	UQCKYNJSBNCRIF-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1c(B(O)O)ccc(C#N)c1[N+](=O)[O-]	2060305471	LLTYZYPOUREWJZ-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1COC2(CCC2)C1	2076748961	FJJHKRKPXBEHBB-SECBINFHSA-N	249.075	-0.148	50	10	BBGE	
OB(O)c1csc(CN2C[C@H](F)[C@H](F)C2)c1	2211077155	DPPPYAWLYRKAEV-DTORHVGOSA-N	247.075	-0.080	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CC[C@H]1C2	2211137410	GBJSYOBIPACHMY-YUMQZZPRSA-N	238.121	-0.193	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCC[C@H](N=C=O)C1	2211593726	KQXKOUZCPLLJCC-VIFPVBQESA-N	247.320	-0.017	50	10	BBGE	
CC[C@H](Oc1ccc(B(O)O)cn1)[C@@H](C)N	2212606546	VSTQODDMLOGUKB-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1cccnc1NCc1cnco1	2212611124	VNFXJDVVCBZSJM-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CC[C@H](N)CCOc1ccc(B(O)O)cn1	2212613233	MDMKLQNEBHMYCI-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
O=C1[C@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2214598425	HCFHHQWKSFVJQP-ONGXEEELSA-N	231.060	-0.655	50	10	BBGE	
OB(O)c1ccnc(-n2cnc(C3CC3)n2)c1	2217170039	NEABYQBNOQDXHW-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@@H]2O)cc1B(O)O	2217179218	IBBUMYBPLPOAPW-UWVGGRQHSA-N	236.080	-0.605	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217182166	ZYYISEQBOJOYTJ-WPRPVWTQSA-N	236.080	-0.483	50	10	BBGE	
Cc1cnc(N[C@@H]2COC[C@H]2F)cc1B(O)O	2217184495	PGGHKWXCRJDISE-RKDXNWHRSA-N	240.043	-0.781	50	10	BBGE	
Cc1cnc(N2CCO[C@H]3C[C@@H]32)cc1B(O)O	2217184860	RPQAYCAJCHJRNL-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
CC(C)(C)[C@H](CN)Oc1cc(B(O)O)ccn1	2217191306	CCLPIXUTSRLJHX-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
CC1([C@@H](N)COc2cc(B(O)O)ccn2)CC1	2217196419	RXZSMVKBMWHQEY-VIFPVBQESA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncccc2B(O)O)CCO1	2217203835	AXPLYTDFTFGQHO-IUCAKERBSA-N	236.080	-0.259	50	10	BBGE	
O=C1COCCCN1Cc1cccc(B(O)O)c1	2220063123	PIVUINGOQDIBJU-UHFFFAOYSA-N	249.075	-0.885	50	10	BBGE	
C[C@@H]1CNC[C@H](CNc2ncccc2B(O)O)C1	2223633064	RJGFBNYFLMUQIQ-VHSXEESVSA-N	249.123	-0.581	50	10	BBGE	
Cc1cnc(N2CC=CC[C@@H]2CO)cc1B(O)O	2223650714	PZSYJCTZTZIZJL-SNVBAGLBSA-N	248.091	-0.803	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cnn(C)c1	2223673395	XOWXAQBKJQCCEQ-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
C[C@H](CO)N(C)S(=O)(=O)N1CC(Cl)C1	2241354612	ZCTDVUKXLOTUMS-ZCFIWIBFSA-N	242.728	-0.533	50	10	BBGE	
O=C(Nc1cnns1)c1coc(B(O)O)c1	2243346572	ASOZMEOKUIQSJO-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(N1C[C@H](F)[C@H](F)C1)C1(B(O)O)CCC1	2243346849	DNDGHNPROWLGGA-KNVOCYPGSA-N	233.023	-0.098	50	10	BBGE	
CC(C)(F)CNC(=O)c1coc(B(O)O)c1	2243347118	HNMXTTDHEFTLPW-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
CC[C@]1(NC(=O)C2(B(O)O)CC2)CCOC1	2243365696	QBFVOHXNCVDKSU-VIFPVBQESA-N	227.069	-0.321	50	10	BBGE	
CC[C@@H](CO)CNC(=O)C1CC(B(O)O)C1	2243382067	LFTGULHHYQHEQU-AFPNSQJFSA-N	229.085	-0.626	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1sncc1B(O)O	2243385041	BOFRVIACHMRLKP-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
CCCN(OC)C(=O)c1sncc1B(O)O	2243385542	KMOARIAYZCEWIZ-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2243403837	DNMPUBWROXWWGJ-PEBLOWIWSA-N	226.085	-0.765	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2243405043	YNWQZSRYGMILKV-BDAKNGLRSA-N	220.037	-0.468	50	10	BBGE	
CC(C)CN(C)C(=O)c1occc1B(O)O	2243411030	MOAOLYUUOYHYAI-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](O)C1)C1(B(O)O)CCC1	2243411311	RHKYQBQZEWBFLV-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
C#CC(=O)NCc1sc(C)c(C)c1B(O)O	2243678045	DEAGEGOKTITLBM-UHFFFAOYSA-N	237.089	-0.706	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)o1	2244149671	NYCMGLXOWIHJRG-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
N#CC1=CCN(C(=O)C23CC(N)(CO2)C3)CC1	2247265746	ZVTQYERDZMVIDP-UHFFFAOYSA-N	233.271	-0.071	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1ccoc1B(O)O	2247747702	RGILTPQUBWFIQK-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
CC1(C)C[C@@H](N)CN1C(=O)C1(B(O)O)CCC1	2247750556	LDIKHEBWXUBJJY-MRVPVSSYSA-N	240.112	-0.278	50	10	BBGE	
O=C(N[C@@H]1CNC2(CCC2)C1)[C@H]1C[C@@H]1B(O)O	2247793047	WDGODVGBXZBBQH-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
COCCOCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797240	HNLOECPAIYSMAQ-BDAKNGLRSA-N	245.084	-0.981	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)C1CC(B(O)O)C1	2247799946	JUKWWCVDAIUGHT-UDNWOFFPSA-N	242.128	-0.175	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)C1	2247804045	DURDDVUTZNRROW-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247805046	AMWKBKXJJQQOCL-JLIMGVALSA-N	240.112	-0.422	50	10	BBGE	
Cc1cc(O)nc(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247806112	LZOIAKCHSUZRDK-PHDIDXHHSA-N	237.024	-0.708	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)CC1	2247806129	MFBQXFTUEMGANK-OXYCZDQYSA-N	240.112	-0.375	50	10	BBGE	
O=C1C[C@H](C2CC2)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247810192	VMXRRYGFKXCSLX-XHNCKOQMSA-N	237.064	-0.366	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]2CC[C@H](C1)O2	2247848531	NBJXMJQFEKPTNN-OWUUHHOZSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCN(C)C(=O)C#CB(O)O	2247849702	DHNCFRDYCDTAOV-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
C[C@H](CNC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247850557	PRWSMGATEIGRFW-SSDOTTSWSA-N	236.080	-0.530	50	10	BBGE	
CC[C@@H](C)CN(C)C(=O)c1cc(B(O)O)n[nH]1	2247854965	LHZXHZZXRKEITB-SSDOTTSWSA-N	239.084	-0.792	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccc(B(O)O)cn1	2247869343	PUWWGBWOMMOFMK-UHFFFAOYSA-N	238.052	-0.779	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)C1CC(B(O)O)C1	2247893329	QBKVWLQCIJPGMA-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)CC[C@@H]1CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248577726	OSMSQUXXIHXKRQ-CSMHCCOUSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249415595	GNDNVGNOIPNELO-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(NCC=CC1CC1)c1cocc1B(O)O	2249422010	NEXMDBONJYXYNP-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
Cc1cc(O[C@H](C)C(=O)NN)ccc1C(N)=O	2253334272	ZBBCDVCIWUEOBU-SSDOTTSWSA-N	237.259	-0.149	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]2CC[C@@H]21	2255472734	HJVWTVPHTKBASS-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2255518810	PAARVVDAMCMTGK-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1cc(B(O)O)n[nH]1	2255550372	WZVPTRLXQIWWKT-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
Cc1cnc(C(=O)NC2[C@@H]3CC[C@@H]23)c(B(O)O)c1	2255556439	PEWJXNUIXCYGJN-HTQZYQBOSA-N	246.075	-0.792	50	10	BBGE	
O=C(NCCc1cccnc1)[C@H]1C[C@H](B(O)O)C1	2255569927	ASCQQTGYCOTICN-XYPYZODXSA-N	248.091	-0.007	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1cnc[nH]1	2255669630	RFYWRSQHXPABQX-JTQLQIEISA-N	247.063	-0.521	50	10	BBGE	
C=C(CCN)CNC(=O)c1ccc(B(O)O)cc1	2255715963	MNKKKWUNGKPNDQ-UHFFFAOYSA-N	248.091	-0.999	50	10	BBGE	
CC#CCNC(=O)c1ccc(OC)c(B(O)O)c1	2255746500	ZQSPKMDINHCAGT-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cn1cc(C2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C2)cn1	2255765714	UDHZDVNTMRMKPK-NXEZZACHSA-N	249.079	-0.791	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376767	NIRIQFKZMZXLNZ-KBDSZGMXSA-N	241.096	-0.221	50	10	BBGE	
CC#CCN(C)c1ccc(C=O)c(B(O)O)c1	2301419928	XAPJCQVMAWUPLJ-UHFFFAOYSA-N	231.060	-0.362	50	10	BBGE	
C[C@@H]1CC2CC(Cn3ccc(B(O)O)n3)(C2)O1	2303056250	AWTRPUUEGNMYAK-FKTRJACZSA-N	236.080	-0.480	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@]2(CO)C1)C(=O)NN	2303410835	PZHMEDGBMDSFKF-MVWJERBFSA-N	241.335	-0.293	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2303967796	RPYWTQKYALHNSF-JLIMGVALSA-N	239.080	-0.443	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(B(O)O)cn1	2312614204	AICUYJNXMFGFIP-GDPRMGEGSA-N	247.107	-0.923	50	10	BBGE	
C#CCCOC(=O)NCc1ccc(B(O)O)cc1	2316374766	ZCFVNYOQZTWOFL-UHFFFAOYSA-N	247.059	-0.384	50	10	BBGE	
CC(C)N(CCN)c1ccc(B(O)O)cc1C#N	2317163449	PYJDNSVPDNNPQU-UHFFFAOYSA-N	247.107	-0.588	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317165255	IVGXDSKRXSQMLC-LDYMZIIASA-N	246.075	-0.173	50	10	BBGE	
C[C@]1(COc2ccc(C=O)c(B(O)O)c2)CCN1	2317352007	RHFRXFLDGYUFDM-GFCCVEGCSA-N	249.075	-0.690	50	10	BBGE	
Nc1nc(N)c(NC(=O)CCl)c(=O)[nH]1	16893194	UUHVVIIQKZZMLV-UHFFFAOYSA-N	217.616	-0.888	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)C1CC1	82470010	OMAKQVUECSTPJM-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
CCNC(=O)CN(CC)CCCC(=O)NN	82471190	HDXUHWVTJBGPHK-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC(C)(C)O	86275157	SQKQZXKEDFQQEW-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)c1occc1Cn1cccnc1=O	111726966	GFRUZIZAUKXCEI-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160531053	QDTGBFXJBFNXBV-RQJHMYQMSA-N	212.253	-0.830	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@H](C)C1	211985415	DXRTUCZVYSCLHP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1cnc(F)cc1Br	238634398	LGZXFGPAHXNHSM-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	299902436	CQZOZXHNCCLATF-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)[C@H](Br)CNCCN	300006833	BAQCXHMWNQSZRZ-RXMQYKEDSA-N	225.086	-0.529	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)[C@H]1COCCO1	306441372	ORGLMAWZNIQNLP-BWZBUEFSSA-N	235.667	-0.476	50	10	BBGE	
OB(O)c1cc(O)cc(C(F)(F)F)n1	306814974	CHPYNKJEHSNKSJ-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
Nc1cc2c(O)c(B(O)O)ccc2s1	307242963	IYEHKKJZULMWEH-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[S@@](=O)CC1	321896806	PMJUAARQUYULGI-XXFAHNHDSA-N	247.364	-0.401	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1Cc1cccc(B(O)O)c1	380309462	SBVHUSXKBHQOMK-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CN1CCO[C@H](C)[C@H]1C)C(=O)NN	380338117	IZUITVKBXZLYMR-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCN(C)C1	381667537	VVVQCJQTYGNJOM-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CN2CCC1CC2	382416445	MTWUOZOBUZTXSO-QWRGUYRKSA-N	240.351	-0.219	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCCCO	384825174	QPEVFEXWYZYATL-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1ccoc1C(=O)NN	385027709	ZRLTZWIGGJLBKX-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1C(=O)NCCN1[C@@H](C(=O)NN)C(C)(C)C	395615889	PCEBPAGBSRXQNG-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
COC(=O)CCc1cccc(O)c1B(O)O	396062976	UZMJUKNZIRXRQK-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
Nc1cc2c(B(O)O)csc2cc1CO	396237333	CWBGLCXZCZYTME-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](c1csnn1)N1CC(=O)OC(=O)C1	398251865	WYORSUKKZANGMH-RXMQYKEDSA-N	227.245	-0.016	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	399447571	YLPTUPNASZQTKI-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CCCN1CCC(CCO)CC1	401005469	JIEAHYCDWLWVFV-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
NNC(=O)CCN1CCC(CCCO)CC1	401058562	IRZLQLYORBNQTH-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1cc(B(O)O)cs1	405001219	LWFSWNDKQUGKCO-IMTBSYHQSA-N	239.105	-0.300	50	10	BBGE	
C[C@H]1C[C@H](C)N1C(=O)c1ccc(B(O)O)cc1	584985378	KXMFONSAZIRZHL-IUCAKERBSA-N	233.076	-0.011	50	10	BBGE	
CC(C)(CN1CC[C@@H]2COC[C@@H]2C1)C(=O)NN	690725378	YZESBHZCBNWKSE-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
CO[C@@H]1CCC[C@@H](n2ccc(B(O)O)n2)C1	694274831	DVEUMQVKBZVCSL-RKDXNWHRSA-N	224.069	-0.307	50	10	BBGE	
C[C@@H]1CCCN(CCC(=O)NN)[C@@H]1CCO	697205288	AJBKGTYZDACCNK-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1nnn(C)n1	697207666	LBVIAOYQUZDYRK-YFKPBYRVSA-N	233.659	-0.806	50	10	BBGE	
C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)NN	697647564	KCHOSMVTSBDQLY-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
O=C(NCB(O)O)c1nnc(O)c2ccccc12	702022972	NTXDZRZOBMAEPG-UHFFFAOYSA-N	247.019	-0.923	50	10	BBGE	
CCN1CC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703452500	QPQNFNOKDZQGTC-GUBZILKMSA-N	238.287	-0.003	50	10	BBGE	
C[C@H](N)c1nnc(N2CCC(O)(C#N)CC2)o1	709279276	CJSCPSFIFJJSBE-ZETCQYMHSA-N	237.263	-0.056	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC[C@H]1C)C(=O)NN	713757462	JCURYYHQKAUTPL-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CN(C)CC12CCN(CC1)C2)C(=O)NN	715564680	ICGJKPAQGYSFLZ-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN(C)C(=O)C(=O)NN	716620259	QHVDSXZDSBFPBC-LURQLKTLSA-N	225.292	-0.273	50	10	BBGE	
CC(=O)NNC(=O)CSC(=N)NC(C)C	719133304	SSVQKVLWPUMFKX-UHFFFAOYSA-N	232.309	-0.180	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)NC	847384584	RENHQNWBNHPUMM-MRVPVSSYSA-N	203.242	-0.645	50	10	BBGE	
CCC(=O)NNC(=O)N[C@@H](CN)C(F)(F)F	848597152	GVBJTICGYHRKGK-BYPYZUCNSA-N	242.201	-0.384	50	10	BBGE	
Cn1cc(C(=O)NN=C2CCN3CCC[C@H]23)nn1	853386008	RFROHSPVXIYBRE-SNVBAGLBSA-N	248.290	-0.231	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H](OC)[C@@H]1CCOC1	854408870	BNAMPJAEQLEWHN-HTQZYQBOSA-N	246.263	-0.233	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)CN(C)C)C1CCC1	857110018	REFWDMXHMJNJCM-SNVBAGLBSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cnc[nH]2)O1	862887814	CBMWAOYASANDFK-HTRCEHHLSA-N	238.247	-0.262	50	10	BBGE	
CO[C@H]1C[C@H](CNCc2ccccc2B(O)O)C1	895539650	ABANBZYIKKIIQL-UMSPYCQHSA-N	249.119	-0.119	50	10	BBGE	
CCN(CCO)NC(=O)C1=C[S@@](=O)CCC1	1163280786	GJIMHQVCFYBAIN-INIZCTEOSA-N	246.332	-0.242	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1ccc(O)nn1	1466784796	KNFZLXOZQABJOV-UHFFFAOYSA-N	231.215	-0.244	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)CCC(N)=O	1540499143	DHKHOTBNZJXUNN-UHFFFAOYSA-N	238.247	-0.948	50	10	BBGE	
CNC(=O)NNC(=O)[C@]1(C)CCCCO1	1625508637	ZVOAQLLPAHQIEK-VIFPVBQESA-N	215.253	-0.094	50	10	BBGE	
CNS(=O)(=O)NC[C@H]1C[C@@H]1Br	1880434241	OBXFYMBYGYDHRO-UHNVWZDZSA-N	243.126	-0.176	50	10	BBGE	
OC[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)C[C@H]1O	1883565067	YZACSRNYZPVTCG-XSPKLOCKSA-N	205.685	-0.101	50	10	BBGE	
O=C(N[C@H](CO)C(=O)O)[C@@H]1C[C@@H]1Cl	1883634397	JTCWAXVWZOFQJO-MROZADKFSA-N	207.613	-0.825	50	10	BBGE	
C#C[C@H](CCl)NC(=O)Cn1ccnn1	1884829996	YINBMQMNUWWFSO-SSDOTTSWSA-N	212.640	-0.365	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2C[C@H]2F)[nH]1	1887433159	MYYJPJMTUOKJKP-QWWZWVQMSA-N	217.635	-0.033	50	10	BBGE	
C[C@@H](OC[C@@H]1CSCCO1)C(=O)NN	1891537190	HSDXCCYBJOCQJT-RNFRBKRXSA-N	220.294	-0.487	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CCC[C@@H]21	1896233506	URDYKSYVIPNEKS-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
CO[C@@H]1C[C@H]1Cn1nc(C)c(B(O)O)c1C	1896327008	DETAQKZYVFLGEZ-DTWKUNHWSA-N	224.069	-0.785	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN(CCC(=O)NN)C2	1899569921	RGVXLVHUSLNKAK-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CC[C@](C)(CN1CC([C@H](C)O)C1)C(=O)NN	1902716792	XARVOHRAQJLLKC-GZMMTYOYSA-N	229.324	-0.295	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C1CCC1	1903005648	JMSMDEPDPPADOT-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H](CCCl)C(=O)O	1903495769	LAXWOPYUCDZQLO-RXMQYKEDSA-N	244.700	-0.536	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@]2(CCOC2)CC1=O	1906951722	UKQMSSFZTOLSAF-KWQFWETISA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncc(B(O)O)cn2)CCO1	1911420383	ORTQFBSUFGDAKQ-VXNVDRBHSA-N	238.052	-0.897	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1914256007	NWYMSYDNOAUFNW-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1C(F)(F)F	1916175891	ZDUFJVBVYNKYQV-GSVOUGTGSA-N	211.143	-0.861	50	10	BBGE	
CN([C@H](C(=O)NN)C(C)(C)C)[C@@H]1CCNC1=O	1916212709	SMFHQKSRSMDFTD-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CC(=O)N1C	1926012611	SKDAKXCLIITXMU-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@H](F)C1	1932740880	XELPIQKJOYIAHD-IZLXSQMJSA-N	203.217	-0.769	50	10	BBGE	
C[C@@H](O)C12CCC(CC1)N2CC(=O)NN	1932849028	VYQDJOKWPGRPDK-ZNFPMYQNSA-N	213.281	-0.646	50	10	BBGE	
C[C@@]1(C#N)CCN(CC(F)(F)C(=O)NN)C1	1935937132	ZAEQURJHFYQDJN-QMMMGPOBSA-N	232.234	-0.153	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946067	YMTDUJGWKFJMHQ-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CN(C)[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946164	ZFJSUBAOQPGRNB-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
COCCN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936089325	ULZARHZCDLMFJB-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1F	1938231727	BUBWRSZUMVFDJU-SFYZADRCSA-N	231.271	-0.575	50	10	BBGE	
CC[C@@H](CO)CN=c1[nH]c(CCl)nc(=N)[nH]1	1939298546	ADINEFWBSOWYHT-ZCFIWIBFSA-N	245.714	-0.125	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2COCC[C@H]21	1941372205	HXOMDQOBHJGXMK-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](CN1CCC(C)(C)[C@@H](CO)C1)C(=O)NN	1943839722	BWUVTWAXXPTMEZ-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)C(C)(C)C1	1944720334	UUCFELXUNFNQRQ-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
O=C(CBr)[C@H]1COCCN1	1953156813	VWQRLWZRJFCDNW-RXMQYKEDSA-N	208.055	-0.061	50	10	BBGE	
COCCSc1nccc(C)c1B(O)O	1961710416	OUIFQKNMMKVLIS-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
C[C@@]1(C(F)(F)F)CNC[C@H]1C(=O)NN	1968304107	ASUCDZSVBHSHEY-UJURSFKZSA-N	211.187	-0.236	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CO[C@H]2COC[C@H]12	1975842843	PWBIPAQAHCKKJO-QYNIQEEDSA-N	248.666	-0.535	50	10	BBGE	
O=C(c1cnn[nH]1)N1C[C@H](Cl)[C@@H]2COC[C@H]21	1975954270	XWQFREMNOAZDRY-VMHSAVOQSA-N	242.666	-0.117	50	10	BBGE	
CN(Cc1ccon1)C[C@@H]1C[C@@H]1C(=O)NN	1976755580	LCWCQVMKPNFCAK-CBAPKCEASA-N	224.264	-0.268	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1	1978924220	ZQSMFXSIWBMMQT-ZCFIWIBFSA-N	223.236	-0.855	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2C[C@@]2(O)C1	1980980608	HUGFCAAXCYWTNA-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
CCN(C[C@@H](C)OC)c1nc(B(O)O)cs1	1981469205	OLYWYBLAGYZDPR-SSDOTTSWSA-N	244.125	-0.316	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN([C@H]2CCOC2)C1	1981607023	GBAJSIALTXQFIZ-BDAKNGLRSA-N	228.296	-0.587	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](N)CCF)CC1	1983778985	PZFYMLBHPIXREO-QMMMGPOBSA-N	229.255	-0.450	50	10	BBGE	
CC[C@H](COC[C@@H]1C[C@@H]1C(=O)NN)N(C)C	1983909134	ZGBJADNJMPFVTO-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1nc(C(=O)NN)cs1	1985746130	YZLLUKMOIDPUQJ-IYSWYEEDSA-N	242.304	-0.688	50	10	BBGE	
N#CC1=CCN(C(=O)C2(O)CC(N)C2)CC1	1986344822	PWKDVUXLMYODRK-UHFFFAOYSA-N	221.260	-0.479	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)CC1(C)C)C(=O)NN	1986377507	CPYZRKSZFPZTKC-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CC1(C)CCCN(CCC(=O)NN)[C@H]1CO	1986924697	YGALHZQJYIKNOT-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCN(C)CC1	1989761857	RWMBKIVRJAYOML-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CC1(F)F	1991328145	SDTPVFZQLHASGY-IYSWYEEDSA-N	231.007	-0.141	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@@H](COC)[C@@H]2C1)B(O)O	1992167640	NUTDDKILLCUSNK-HBNTYKKESA-N	225.097	-0.231	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@H]2C2CCC2)c1	1992935174	VHAQBVVEFZTWEL-KOLCDFICSA-N	220.081	-0.001	50	10	BBGE	
CCc1noc(CN(C)[C@H](CC)C(=O)NN)n1	1997740273	KTHBWWDIYKJUDO-SSDOTTSWSA-N	241.295	-0.168	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	2002914150	FHNFIGKBARHVMW-HBNTYKKESA-N	240.351	-0.221	50	10	BBGE	
CCN(CC)CCN(C)C[C@H]1C[C@@H]1C(=O)NN	2003814912	ZDNZHVDADPWQRR-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(CO)CCCC1	2003923658	WWZOMFCPNGDFEZ-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCN1CCC(n2cccn2)CC1	2004042584	XFAIOEMTIWNSDD-UHFFFAOYSA-N	237.307	-0.100	50	10	BBGE	
CC(C)[C@H]1CCN(c2ncncc2B(O)O)C1	2004919882	DXONEPWPXOKZQK-VIFPVBQESA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@]12CCOC2	2004929881	OUGUCMAYKLBTMG-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]([C@@H](C)O)C1	2005913203	PFGFMDSOPKNCAK-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
CC(C)(Cn1cccc(B(O)O)c1=O)C(F)F	2008840097	HEYKBSFAQUFSNZ-UHFFFAOYSA-N	245.034	-0.181	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H]2CCC[C@H]21	2019210271	NFUKPZOEWQKKHJ-ZJUUUORDSA-N	241.291	-0.593	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)on1	2020055551	BWAZXWZBXHQSAB-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncc(B(O)O)cn3)C[C@H]21	2025799737	DDJWVAHCBOJNTN-MRTMQBJTSA-N	233.080	-0.751	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)CCOCC(=O)NN	2026299354	WPXYABOZNMDRQZ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2026818692	JEPDAVOWNQWDKW-ZLYVCXLSSA-N	232.048	-0.810	50	10	BBGE	
CCOc1c(F)cc(B(O)O)cc1C=O	2060113895	WWALTRFTFJHYIL-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCOc1ccc(OC)c(B(O)O)c1C=O	2060131367	FTCXISQYPPFRCI-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
Cc1c(B(O)O)cc(C#N)cc1[N+](=O)[O-]	2060306886	RYSRQMPXVUJMPW-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2c1ccncc1B(O)O	2066590294	LBAHQWWGVFEGAS-VHSXEESVSA-N	247.107	-0.956	50	10	BBGE	
NNC(=O)[C@]12CO[C@](Cn3ccc(=O)cc3)(C1)C2	2082600996	FAPVIIZWTJFUHT-HAQNSBGRSA-N	249.270	-0.613	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](CCO)C(C)(C)C1	2212234549	WNWVQNFXNSIHRJ-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C=CCN(CC=C)c1cc(B(O)O)ccn1	2212601823	UHKHKRIDLUKGJN-UHFFFAOYSA-N	218.065	-0.060	50	10	BBGE	
C=CC[C@H](N)COc1ncccc1B(O)O	2212605169	YWQRKSFQHZUDGN-QMMMGPOBSA-N	222.053	-0.956	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC2(F)F)c1F	2212605269	AYWBKWGOWKFBEI-RXMQYKEDSA-N	231.970	-0.280	50	10	BBGE	
CC[C@H](CNC)Oc1ncccc1B(O)O	2212605319	BTNVXOAMSOMWQG-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	2215006245	BCZNDFWYSJBSTP-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1(CO)CCC1	2215773614	BTVBTLJNPFRPBI-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cccc(OC[C@]2(F)CCOC2)c1	2216335396	LPKYGIIYNWBXSA-NSHDSACASA-N	240.039	-0.126	50	10	BBGE	
CNCC[C@H](C)Oc1nccc(B(O)O)c1F	2217186875	PZGGRWQJEDFHGC-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@H]2C[C@H]2N)cc1B(O)O	2217193271	LSSFMTQIMBLPSX-NQMVMOMDSA-N	236.080	-0.816	50	10	BBGE	
CC(C)C[C@H](CN)Oc1ncccc1B(O)O	2217193653	OCSJVNABPITAET-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC=CC[C@@H]21	2217199695	OIVWODPWHGJAQM-KOLCDFICSA-N	230.076	-0.084	50	10	BBGE	
CC1(C)OCC[C@H]1Nc1ncc(B(O)O)cn1	2217202584	XRHBVEZQMWDLFG-MRVPVSSYSA-N	237.068	-0.864	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@H](C)CN1C	2222178963	GYLGTHDLDCFNCI-VHSXEESVSA-N	249.123	-0.710	50	10	BBGE	
C[C@@H]1OC2(C)CC1(Nc1ncc(B(O)O)cn1)C2	2223627310	MFRPVHUFXQBSDJ-ARTQYDKTSA-N	249.079	-0.722	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3C[C@H]2CN3)nc1	2223644643	LZGPIFXGEDDCOD-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1Nc1ccc(B(O)O)cn1	2223649700	BYHLZCPRRMLAKN-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(OCC23CC(CN2)C3)cc1B(O)O	2223662929	MKRXLGVYZZDANO-UHFFFAOYSA-N	248.091	-0.799	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNc1ncccc1B(O)O	2223669756	OCXPBLHTWDMOPG-NXEZZACHSA-N	249.123	-0.581	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1c1cc(B(O)O)ccn1	2223678023	WBEOBBHVOBJPQF-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
O=C(O)CS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241656549	BVZGUIKCSYQFKY-URHBZAFASA-N	227.669	-0.240	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1coc(B(O)O)c1	2243348440	XPQCMQIJPRHIPG-RXMQYKEDSA-N	230.963	-0.903	50	10	BBGE	
CS[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2243349817	QXEFPEVZYBGBBW-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCC1(F)F	2243349872	RRPJXFJRAXJVND-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2243362799	WQXXKSJSDOQXNR-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
CO[C@H](C)CCN(C)C(=O)C1(B(O)O)CC1	2243365192	JCPNAMXHWGTSTJ-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
N=c1cc(NC(=O)[C@H]2C[C@H]2B(O)O)cc[nH]1	2243381814	JAAZHAVWPWKWLT-NKWVEPMBSA-N	221.025	-0.704	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@@H](CO)C1	2243391431	KMRLIODYFFQGNC-VGMNWLOBSA-N	227.069	-0.920	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243399792	QLVBRJCYLQLJGO-POYBYMJQSA-N	222.053	-0.777	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1ccc(B(O)O)o1	2243401574	TZOOAGANQRATNX-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@@H]1CCSC1	2243401775	WLSNSHDPPHRLIQ-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1(B(O)O)CC1	2243409272	FEQOZFFLPURESA-QMMMGPOBSA-N	228.101	-0.421	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C(C)(C)CO	2243413201	BEQKFRZQHRSVDQ-UHFFFAOYSA-N	229.085	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2conc2C1	2243426980	OJRFMSJSRBPPDU-RQJHMYQMSA-N	222.009	-0.620	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CC[C@@H]1N	2243427420	VDZFXBLXZAHILO-JBDRJPRFSA-N	226.085	-0.813	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)o1	2244149670	NYCMGLXOWIHJRG-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
C[C@H]1[C@@H](C(=O)NCCC#CB(O)O)C1(F)F	2244547028	UWLDJNIIEDJCIA-BQBZGAKWSA-N	231.007	-0.591	50	10	BBGE	
CN(CC[C@@H]1CCO1)c1nc(B(O)O)cs1	2246180519	UUERQRMWNMYWIZ-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
CCOC1CCC(NC(=O)C#CB(O)O)CC1	2247742899	VUVXFWMIWHQIGN-UHFFFAOYSA-N	239.080	-0.534	50	10	BBGE	
CN(C[C@H]1OCC[C@H]1F)C(=O)C1(B(O)O)CC1	2247751362	WTTYQIBVHVYPBA-HTQZYQBOSA-N	245.059	-0.421	50	10	BBGE	
C=CCCCCNC(=O)c1n[nH]cc1B(O)O	2247781037	HFQNJCNWVOOIMC-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CCN(C(=O)c1c[nH]nc1B(O)O)C1CCC1	2247784797	APYOENKWZUAWPZ-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CCN(CC)C(=O)c1nccc(C)c1B(O)O	2247791509	MUASJQOGTXCOTE-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)C1CC(B(O)O)C1	2247799088	ZOTWLOGQNBTXLA-HVUYTDGYSA-N	239.080	-0.467	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247800639	RBZJROZKOKLFER-NKWVEPMBSA-N	232.008	-0.850	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CCNC2)C1	2247810505	XWAJLQIAMNCYCL-UHFFFAOYSA-N	238.096	-0.939	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCC[C@@H]1CCO	2247848297	JXPOSMHZPWVGCO-ZJUUUORDSA-N	239.080	-0.941	50	10	BBGE	
N[C@@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247860558	YGIZALCYMWGDQB-OPRDCNLKSA-N	240.112	-0.421	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2247877369	GYMLARXIIWEPGL-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1occc1B(O)O	2247877863	FONQSAKEXPQGNI-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C=C(C)C(=O)N1CCc2cccc(B(O)O)c21	2248396160	WEZUNBBEIYRGJK-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C=C1CC(NC(=O)[C@H]2C[C@H]2B(O)O)(C(=O)O)C1	2248587578	RLPWBUAOKZSLIS-NKWVEPMBSA-N	239.036	-0.861	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1cocc1B(O)O	2249411841	UNWHFPHEMIOKBK-MWLCHTKSSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C1(C)C	2249884617	CYXSOSLUAILTTF-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCO[C@@H]1CC(=O)NCCC#CB(O)O	2250004007	FJXZGMHPMKTRGX-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2251031642	VXJLDZRSGHIEGT-JXUBOQSCSA-N	241.096	-0.389	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CCC[C@@H]21	2255472140	CQWXZZIVPQNNOU-KCJUWKMLSA-N	248.091	-0.291	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1occc1B(O)O	2255488860	KVPUMBCKMOACHZ-BRPSZJMVSA-N	249.075	-0.122	50	10	BBGE	
C=CC[C@H]1CCCN1C(=O)c1cc(B(O)O)n[nH]1	2255552738	PCEJUNBIJSEGJH-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255678390	BKCZRQIUKCACRK-PSVAKVPMSA-N	248.091	-0.530	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1C	2255727143	KZUZFKARCZFJSA-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCC1=O	2255735608	WQWZMOJUMOIAOB-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ccccc1	2255770473	QHBUGIJMNJVMOF-MXWKQRLJSA-N	248.091	-0.335	50	10	BBGE	
O=C(N[C@H]1CC12CCCC2)c1c[nH]nc1B(O)O	2255789854	OEYTUOLCJJIHAT-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)cc1O	2255951314	COBZDNJMVCZNCD-UHFFFAOYSA-N	247.059	-0.786	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)Nc1cnoc1	2257485849	CEGOWNIXXBIFSA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2258124156	YOFBOXOKQNOZEF-MYJAWHEDSA-N	249.075	-0.265	50	10	BBGE	
C=CC1CN(C(=O)c2cccc(B(O)O)c2C)C1	2261385777	KMBUXIFRXGYCMO-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@@H]1[C@H]2CO	2298371452	LPZXVJWBQNIWEY-KZCAZGHVSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](CO[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	2301615338	XLYVGOLKRDJRFA-IWSPIJDZSA-N	239.279	-0.376	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1[C@H]2CO	2302023790	QTGHNSRKHVXUMT-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2302517069	TYMGXMGBRHTUNS-KXUCPTDWSA-N	243.112	-0.285	50	10	BBGE	
CCn1nnnc1CN1CC[C@](C)(B(O)O)C1	2303136513	VCNGIGODMBUYQC-VIFPVBQESA-N	239.088	-0.868	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CNC[C@@H]2C3)c1	2312614234	CAHUJICLRCKHQQ-QXEWZRGKSA-N	247.107	-0.829	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3CO[C@H]2C3)cc1B(O)O	2313109969	KFDHTWXEIOCWSH-GDPRMGEGSA-N	248.091	-0.341	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H](CN)C1	2317152126	YNUPZXQGLPAOEH-SECBINFHSA-N	245.091	-0.977	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCN[C@@H]3C[C@H]32)CC1	2320722280	VVAFBLVGDMGXKZ-OUAUKWLOSA-N	249.314	-0.139	50	10	BBGE	
NNC(=O)[C@@H](O)[C@@H](N)CC1CCCCC1	33975560	OQKPABIJWCLLHX-IUCAKERBSA-N	215.297	-0.365	50	10	BBGE	
CC(=O)NNC(=O)CSc1cnc(N)s1	37036221	AXDPDORIRRAGJM-UHFFFAOYSA-N	246.317	-0.015	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(CO)CC1	82465783	MRHLULPWIOTBNO-VIFPVBQESA-N	215.297	-0.541	50	10	BBGE	
Cn1cc(SCCC(=O)NN)cn1	82473322	VTNJSRLJOHUOAB-UHFFFAOYSA-N	200.267	-0.108	50	10	BBGE	
CN(C)CCSC[C@H]1CC[C@H](C(=O)NN)O1	87417302	DKFCBRSZPLDWHU-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(C(=O)NC)CC1	110592904	WSKZMWVQDPKRSO-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCNC(=O)C1(C)C	110664424	FGOCVZCZLYSEFU-MRVPVSSYSA-N	242.323	-0.789	50	10	BBGE	
Cc1ccc(-c2ncon2)cc1B(O)O	170013946	DFLRGMZJCJHQLN-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1cnn(CC(=O)O)n1	170312569	OSMBKMHEGIJFIW-SCSAIBSYSA-N	232.627	-0.072	50	10	BBGE	
COC[C@@H](Sc1ccncc1N)C(=O)NN	232421531	SXIURYBTLFDBOE-MRVPVSSYSA-N	242.304	-0.239	50	10	BBGE	
CCN(CC)C(=O)CSCC(=O)NN	300743583	BRVVXXBFXGSIIE-UHFFFAOYSA-N	219.310	-0.422	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@@](O)(CO)C1	306170442	SDGWCQJPXCTOCC-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
Cn1ncnc1CN[C@H]1COC[C@H]1Cl	306313656	VDTRGNJBQCFONZ-RQJHMYQMSA-N	216.672	-0.089	50	10	BBGE	
COC(=O)[C@@H](CS)NC(=O)CCl	307872681	SZLGTZPHHKUDHY-SCSAIBSYSA-N	211.670	-0.187	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)CCCl	308241384	YNMATOPTNNMTFX-ZETCQYMHSA-N	209.673	-0.183	50	10	BBGE	
COCC(=O)NN=Cc1ccc(N)nc1	308838198	MDOYOGBRJKZHGZ-UHFFFAOYSA-N	208.221	-0.240	50	10	BBGE	
NNC(=O)[C@@H]1CC(F)(F)CN1C(=O)C1CC1	309176250	XLWMZOSDOOZOJX-LURJTMIESA-N	233.218	-0.378	50	10	BBGE	
NC[C@H](CCl)S(=O)(=O)[C@H](CN)CCl	379353463	FLOJIQRDVGSGFK-WDSKDSINSA-N	249.163	-0.467	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H](C)O[C@@H]1C	384971772	TVVFOXPCJMLPHN-ZYUZMQFOSA-N	245.323	-0.511	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCSC[C@H]1CO	388089423	CRUPOIHAJQFNET-XHNCKOQMSA-N	247.364	-0.589	50	10	BBGE	
C[C@@H]1CN(Cc2nc(C(=O)NN)co2)C[C@@H]1O	388392358	SHIRAKBCJLWDMR-SVRRBLITSA-N	240.263	-0.909	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(OC)C1	389252610	CVLJAJXKFWBZIO-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)CC(C)C	389634937	NUGXIPMQGQMMSV-ZETCQYMHSA-N	201.270	-0.083	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)c1cn[nH]c1	390582244	XDEJLRDIXKGSDH-LURJTMIESA-N	225.252	-0.772	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1C[C@H]2C[C@@H]2C1	404970298	OKFZIXVLHKOBHA-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
CC(C)OC(=O)Nc1cc(B(O)O)ccn1	405063672	GGRHSYLXNXKMFI-UHFFFAOYSA-N	224.025	-0.282	50	10	BBGE	
COC(=O)N(C)Cc1ccc(B(O)O)cc1	405145615	MPLBVKGRQGCYMT-UHFFFAOYSA-N	223.037	-0.435	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N([C@@H](C)C(=O)NN)C1	687213976	XFTUAXDRKZFNFR-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
CN(CC1C[C@@H]2[C@@H](C1)C2(F)F)C(=O)C(=O)NN	693397934	NPRGIAGYKDPZIT-RNFRBKRXSA-N	247.245	-0.274	50	10	BBGE	
OB(O)c1cnn(Cc2ccc(O)cc2)c1	694531052	JFROAOAUTQNRIN-UHFFFAOYSA-N	218.021	-0.683	50	10	BBGE	
C[C@H](CC(F)(F)F)C(=O)NCB(O)O	701945501	RGPCPUIIGDBEIA-SCSAIBSYSA-N	212.964	-0.297	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](N2CCC2)C1	702298874	ASISMCLNHDOIFF-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1ncccn1	703439934	SIZHOQPNQLUKHH-HTQZYQBOSA-N	233.227	-0.107	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COCC[C@H]2O)CC1	704254491	QPDHWUVALROWLX-NXEZZACHSA-N	226.276	-0.513	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H]3C[C@@H]32)on1	706977060	YMMCDFJYEXYLQM-RCOVLWMOSA-N	222.248	-0.128	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1CCC(=O)NN	708462913	LGYVGAXLTLGVGG-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COCC[C@@H]2Cl)n1	710870021	KDYOQCJDKWSXDQ-XPUUQOCRSA-N	244.682	-0.059	50	10	BBGE	
NNC(=O)c1csc(CN2CCNCC2)c1	711160801	MBHNIPYAGLQNNF-UHFFFAOYSA-N	240.332	-0.243	50	10	BBGE	
CN(CCn1cnnn1)[C@H]1COC[C@H]1Cl	712594564	QHMRMSIPHVEQCE-SFYZADRCSA-N	231.687	-0.389	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H]2CN)CC1	715093124	AOTKYJKCKCCWAY-BDAKNGLRSA-N	223.276	-0.542	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]3C2=O)nc1	715551443	UXTRSNVGFTUIIW-PSASIEDQSA-N	246.270	-0.337	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H](O)CN(C)C	717364629	JHDWFBALZRWZLW-RNFRBKRXSA-N	208.689	-0.348	50	10	BBGE	
COC[C@@H](O[C@H](C)C1CC1)C(=O)NN	719081702	XSWLJPMLLGQHLQ-HTRCEHHLSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)CCCN1CCS[C@@H](CO)C1	720071324	WVNXKCWZNQGZHF-MRVPVSSYSA-N	233.337	-0.834	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCS[C@H](CCO)C1	720086219	GXYWJZQZPKQSCO-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(CO)(CO)C1	721395184	FQNFTVXAGQEKQU-ZCFIWIBFSA-N	207.657	-0.573	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@H](C)C1	721479536	HFDSNTRCOAVOQR-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
COC[C@H](C)OCc1nsc(C(=O)NN)n1	724346522	YWGONEYTXBOBJK-YFKPBYRVSA-N	246.292	-0.307	50	10	BBGE	
O=C(CCn1ccnn1)NNC(=O)c1ccoc1	732064925	JVQFILKENAHXPM-UHFFFAOYSA-N	249.230	-0.278	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2	790490202	MAGRGOXQEOOHRG-XSSZXYGBSA-N	227.264	-0.096	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNC(=O)CO)C(C)(C)O1	863903761	SPRDIJHMPXQDQZ-SSDOTTSWSA-N	244.291	-0.280	50	10	BBGE	
CN(NC(=O)[C@]1(C)C[C@H](O)CN1C)C1CC1	911291007	BWMSXMXYQRAPMI-ONGXEEELSA-N	227.308	-0.433	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)NC2CCC2)nn1	1118496893	KQGCWTLPNVESOW-UHFFFAOYSA-N	238.251	-0.688	50	10	BBGE	
O=C(NNC(=O)C1(C(F)F)CC1)c1cnn[nH]1	1144480412	RYHBHCOMEUILSP-UHFFFAOYSA-N	245.189	-0.389	50	10	BBGE	
CNC(=O)NN=CC1CCS(=O)(=O)CC1	1261652829	TYZIEUJFIQXJBX-UHFFFAOYSA-N	233.293	-0.274	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC12CC2	1328596034	WQZSMKFWPNFSJB-SSDOTTSWSA-N	239.275	-0.542	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cnsn1	1537533497	CPTKPOHLOQKJIP-RXMQYKEDSA-N	239.260	-0.151	50	10	BBGE	
CN(NC(=O)C(=O)c1cccn1C)C(N)=O	1623315570	FVBSKSKDBPAYMI-UHFFFAOYSA-N	224.220	-0.751	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cc(CO)on1	1625904692	OZDCYSGSYJKATR-UHFFFAOYSA-N	244.276	-0.752	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1	1628978599	METAOGPFGMFPME-SSDOTTSWSA-N	223.236	-0.992	50	10	BBGE	
C#CC(=O)NNc1ccnc(N(C)C)n1	1654349888	DHKYWJMIWLTGAL-UHFFFAOYSA-N	205.221	-0.381	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN1C(=O)C(Cl)Cl	1866331815	LVXXZBOGWGHEDV-IMJSIDKUSA-N	242.058	-0.164	50	10	BBGE	
CC(C)(CNS(C)(=O)=O)NC(=O)F	1882789641	NZFFSBPJYAKPKB-UHFFFAOYSA-N	212.246	-0.007	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883552809	OKUAWHASHHKOCX-DBRKOABJSA-N	206.673	-0.562	50	10	BBGE	
C[C@@H](N[S@@](C)=O)c1cc(B(O)O)cs1	1884938711	HYNYOVJVQQAZHC-FPHPLZIGSA-N	233.123	-0.628	50	10	BBGE	
CN1CC[C@@H]1COC(F)(F)C(=O)NN	1886371507	YMGJAVHUALASFL-RXMQYKEDSA-N	209.196	-0.710	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1888621436	HYPNAAOATVTKLY-XUUWZHRGSA-N	211.290	-0.247	50	10	BBGE	
COC[C@@H](C)N1CC[C@@](C)(B(O)O)C1	1891492909	QLQSQGBIKXUPIW-RKDXNWHRSA-N	201.075	-0.040	50	10	BBGE	
CC[C@@H](O)CN1CC[C@](C)(B(O)O)C1	1891586362	SENYLLYCXJNISP-BDAKNGLRSA-N	201.075	-0.304	50	10	BBGE	
C=C(CN(C)[C@H](C)CN(C)C)B(O)O	1893428944	LZDCTZVGBLWGCR-SECBINFHSA-N	200.091	-0.564	50	10	BBGE	
C[C@@H]1COCC(=O)N1[C@H](C)CC(=O)NN	1893864192	MORBTTSCFLHHRL-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CC1(C)CNC[C@H](C(=O)CCl)S1(=O)=O	1894394513	QJZHTMYPRRILPV-SSDOTTSWSA-N	239.724	-0.041	50	10	BBGE	
C[C@@H](F)CNc1ccc(C=O)c(B(O)O)c1	1901242531	MQADAUIGNVNZCM-SSDOTTSWSA-N	225.028	-0.051	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc(C(F)(F)F)n1	1908080717	ABMCRBQCUJZHGJ-CRCLSJGQSA-N	249.196	-0.077	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCO[C@H]32)CC(=O)O1	1909461328	BSZPXHUCXAZNSR-NYNCVSEMSA-N	211.217	-0.593	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCN=[N+]=[N-]	1912152861	YIYHHCZCRPVDBK-UHFFFAOYSA-N	214.229	-0.604	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H](C)C(=O)NN)C[C@@H]1C	1912243310	AMMWOJRCSXNJDB-RNJXMRFFSA-N	213.281	-0.273	50	10	BBGE	
CN(CC1(O)CCC1)CC(F)(F)C(=O)NN	1914574876	LOSZGBATWVUDLF-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N(CCO)C1COC1	1915544561	CHOSPBOAVPIQHR-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]23CCOC3)CC1	1915571601	SCQPNIDYFOHPPN-LLVKDONJSA-N	225.292	-0.379	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnn[nH]1	1923407799	HOPCSIHMABRZIL-UHFFFAOYSA-N	223.114	-0.872	50	10	BBGE	
CN[C@@H](C)CC(=O)N1CCC(O)(C#N)CC1	1926890910	RLDDGYGDURBVBS-VIFPVBQESA-N	225.292	-0.139	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](F)[C@H](F)C1	1927812236	HIEWDUGNWYWCEQ-SYDPRGILSA-N	229.177	-0.397	50	10	BBGE	
N=c1[nH]nc(SC[C@@H]2C[C@H]2C(=O)NN)s1	1927917999	OKEWJMPWKMBSLG-IUYQGCFVSA-N	245.333	-0.331	50	10	BBGE	
CN1CCCC[C@H]1C(=O)NNCCO	1931442215	KMOMUSGDDWOMBV-QMMMGPOBSA-N	201.270	-0.916	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(S(C)(=O)=O)C1	1932097256	ANDIBVYUQCMYNS-RXMQYKEDSA-N	225.697	-0.131	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)[C@@H](C)C(=O)NN	1932221112	IFSPLPIVHYDNMQ-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@@H]1C[C@@H]1C(=O)NN	1936087095	YGVYXNQMBMDJCW-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2COCC[C@H]21	1936283255	GAYIVSPTBAYNND-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=O)[C@@H]1CCCOC1	1937709141	PYEUFPAHRQTMDI-RQJHMYQMSA-N	231.252	-0.873	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@H](O)CC[C@@H]21)C(=O)NN	1940523132	FPMJZXWQJXQXHG-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COCC[C@@H]21	1941371566	CBCQPZXCTGNQQF-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
COC1(CO)CN(CCC(C)(C)C(=O)NN)C1	1951074535	VUHFDZDVOIHKGN-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
Cc1cnsc1C(=O)NNC(N)=S	1954038014	FCAVIIBCBFPEDM-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
CCC[C@@H](COC)N(C)CC(=O)NN	1954917776	WDQXBYVZPZXDPM-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC([C@@H](F)CO)C1	1957731875	YCCZVTMBRWJDPR-SVRRBLITSA-N	219.260	-0.983	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1960173945	OLTRVYJHXYRAGH-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)C(=O)NN)no1	1961494532	YEUVFRAJFJNATD-SSDOTTSWSA-N	212.253	-0.207	50	10	BBGE	
O=C(c1cncc(O)c1)N1CC[C@H](B(O)O)C1	1972415401	VFLXIXRBMSPXEX-QMMMGPOBSA-N	236.036	-0.524	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCc2nccn2C1	1976547159	QQPJEZQHWKKYQB-LURJTMIESA-N	239.304	-0.690	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2CC[C@H](O)C[C@H]21	1979577276	KDLPGSCEFGOEOA-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@H]2CC[C@H]1O2	1980046511	NGXQXOUEMOFHBP-ZYUZMQFOSA-N	227.308	-0.136	50	10	BBGE	
O=C1CN(c2nccnn2)CCN1CCCl	1981018454	AWDMNIFJALPMIJ-UHFFFAOYSA-N	241.682	-0.241	50	10	BBGE	
COC[C@@H](C)Oc1ncc(B(O)O)cc1C	1981421997	IGDOZWRQQZENNH-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CC2CC2)n1	1981468962	KKUXCOJXEDUGCA-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987561704	BTAILXOEKBVDRK-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](O)C1(C)C)C(=O)NN	1991458998	DBHZQBUSARUFAD-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@@H](CCO)C1	1991715202	RAJIRJUZWGBIAI-CMLYIYFCSA-N	247.678	-0.082	50	10	BBGE	
C=C(CN1CCCN(CC)C[C@@H]1C)B(O)O	1992167145	FJHMNMMFIVINJT-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1995937772	OGCKWNMVOCSYTF-ONGXEEELSA-N	247.314	-0.059	50	10	BBGE	
NNC(=O)C1(CN2CC(N3CC(F)C3)C2)CC1	1996926495	PBYQECUJVFHBHL-UHFFFAOYSA-N	242.298	-0.906	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)CC(C)(C)C(=O)NN	1997354087	VYZSMVDRGZHVTM-IUCAKERBSA-N	247.339	-0.934	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](C(N)=O)CC12CC2	2002291575	WCVKJARHTAUACS-MRVPVSSYSA-N	240.307	-0.904	50	10	BBGE	
C[C@H](CN1CCc2c(ncn2C)C1)C(=O)NN	2003941095	ZKOCHJYLIHHDBY-MRVPVSSYSA-N	237.307	-0.596	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]([C@@H]2CCCO2)C1	2004396594	NOLSNDKMTHLBLP-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1[C@H](CN(C)c2ncc(B(O)O)cn2)[C@@H]1C	2004916512	MFKOUAFDHUIIIK-DIYOJNKTSA-N	235.096	-0.505	50	10	BBGE	
C[C@H]1CC[C@@H](C)CN1c1ncncc1B(O)O	2004921009	QFAYRAHZKOKGDC-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](C2(O)CC2)C1	2013924401	BZTXXVXTFGDWHJ-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](OC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)NN	2016504955	MQUPKZUWOMSWEU-WYVINJBVSA-N	240.303	-0.090	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NNC(C)=O)CC[C@@H]1C	2019212107	KNPFCQJJDWTDDL-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
CC(C)(C)c1nccn(CCC(=O)NN)c1=O	2019804034	MJOMRWITFZQAGQ-UHFFFAOYSA-N	238.291	-0.079	50	10	BBGE	
Cc1n[nH]cc1C(=O)N[C@@H]1CCC=C1B(O)O	2020056054	HLGIXXVKYKTLDR-SECBINFHSA-N	235.052	-0.451	50	10	BBGE	
C[C@H]1C(C(=O)NCc2cccc(B(O)O)c2)[C@@H]1C	2043290422	RXLKJTCIJAIEIK-RKDXNWHRSA-N	247.103	-0.115	50	10	BBGE	
CN(C)C[C@@H]1CCCN1c1ccc(B(O)O)cn1	2052472672	NEWZGQYAWHCLGL-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccc(O)cc2=O)o1	2054654234	FAIBTXJKIIOXID-UHFFFAOYSA-N	249.226	-0.201	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](O)(c2ccccc2)C1	2057335141	HKRLRGIEXYWYJR-GXFFZTMASA-N	249.314	-0.042	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(B(O)O)cc1F	2060091041	QDSMBVYWNPYBIN-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(B(O)O)c1C=O	2060146481	RNFTVQQVTINCNL-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@]2(C)C[C@H]12	2065690874	BYIFODVTUINHKC-UISBYWKRSA-N	247.107	-0.219	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C[C@@H](C1)C2	2079009107	FAYSIUXCDQAJGH-AOOOYVTPSA-N	245.087	-0.152	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1ccc(B(O)O)s1	2211071662	DXKMMYIZBHVKGO-CBAPKCEASA-N	242.105	-0.021	50	10	BBGE	
O=c1cnccn1Cc1cc(B(O)O)cs1	2211073098	WECYTSCMWHEYSW-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1C[C@@H]2C[C@H]2C1	2212325565	BHONDNZVDFFTQJ-OYNCUSHFSA-N	227.308	-0.278	50	10	BBGE	
Cc1nc(Sc2cc(B(O)O)ccn2)n[nH]1	2212599176	DPCUDQVUBYSXTB-UHFFFAOYSA-N	236.065	-0.661	50	10	BBGE	
Cc1cnc(SCCC(N)=O)cc1B(O)O	2212601840	UQBFXFBVPHABFS-UHFFFAOYSA-N	240.093	-0.963	50	10	BBGE	
C#C[C@@H](Oc1ncccc1B(O)O)C(C)C	2212603145	COFCMVZUBRZBGH-SNVBAGLBSA-N	219.049	-0.202	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1cc(B(O)O)ccn1	2212603925	RYQRCMBKUGLBSX-HTQZYQBOSA-N	224.069	-0.667	50	10	BBGE	
C#C[C@@H](Oc1ccc(B(O)O)cn1)C(C)C	2212606179	PUMMJIVVTOHKCN-SNVBAGLBSA-N	219.049	-0.202	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2[C@H](CCC[C@H]2O)C1	2213405296	LXNOACNMKSTLDI-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1[C@H](N)CCN1Cc1cccc(B(O)O)c1	2214597429	WDAPQBYIVOVJHU-JOYOIKCWSA-N	234.108	-0.712	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2215131614	ACECPGKQRKEBEU-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(N2CCC2)C1	2215777403	SKWPNLVZGIIPEY-KOLCDFICSA-N	238.335	-0.608	50	10	BBGE	
COC[C@@H](C)[C@H](C)Nc1ncccc1B(O)O	2217175258	GPWYIAUJUXLURD-BDAKNGLRSA-N	238.096	-0.156	50	10	BBGE	
N[C@H](CNc1ccc(B(O)O)cn1)C(F)(F)F	2217176787	AIJRRXGFDNSSRL-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
CC1(CO)CC(Nc2ncccc2B(O)O)C1	2217179946	PFJHHAPZISREQT-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
CCN(c1ncccc1B(O)O)C(C)(C)CO	2217180696	JSNCWCUNCWOTNL-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1cnc(=NCC2C[C@H]3C[C@@H]3C2)[nH]c1	2217182765	CSAXSCAKJGUVEZ-IUCAKERBSA-N	233.080	-0.964	50	10	BBGE	
CC(C)(O)[C@H]1CCN1c1ccc(B(O)O)cn1	2217184830	WYJZEQWGIJCGLC-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2220060669	YOTUWGLRWOJZSI-MFKMUULPSA-N	249.119	-0.431	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ccno1	2222238272	CGCASNLOBTVJIT-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C#CC1CCN(c2cc(B(O)O)c(C)cn2)CC1	2223640234	JWNBSVUDIZQVQM-UHFFFAOYSA-N	244.103	-0.081	50	10	BBGE	
Cc1cnc(N[C@H]2[C@H]3OCCC[C@@H]32)cc1B(O)O	2223644205	GDQVFCQTVQFUCB-FXAINCCUSA-N	248.091	-0.341	50	10	BBGE	
C#C[C@@]1(Oc2cc(B(O)O)ccn2)CCCOC1	2223655358	ZHAHSYDEYORKBI-GFCCVEGCSA-N	247.059	-0.677	50	10	BBGE	
CCc1conc1CNc1ncccc1B(O)O	2223674285	OSJYVUULPFIACO-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCCCNC1	2223676391	AMAHCEPSEAKATR-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]2C)n1	2243084353	BXDCKFDLFRHGCO-SSDOTTSWSA-N	222.053	-0.631	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1NC(=O)C#CB(O)O	2243356083	BEQWPDCMKFYTOV-DTORHVGOSA-N	224.069	-0.704	50	10	BBGE	
COC[C@H](C)NC(=O)c1csc(B(O)O)c1	2243361986	KGNANTNBGBOJBR-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2243362376	QBIUNJFNKNYPQQ-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
C[C@]12C[C@](NC(=O)C3(B(O)O)CC3)(CO1)C2	2243363276	DFFBXNXLJSHNDX-KYZUINATSA-N	225.053	-0.569	50	10	BBGE	
N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381232	DNMPUBWROXWWGJ-FNCVBFRFSA-N	226.085	-0.765	50	10	BBGE	
N#C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382536	PJQUPUKBOBLOFT-HLTSFMKQSA-N	222.053	-0.389	50	10	BBGE	
O=C(N1C[C@H]2CSC[C@@H]2C1)C1(B(O)O)CC1	2243397408	AMDGHZBRCASRME-YUMQZZPRSA-N	241.121	-0.185	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCC2)CC1	2243398872	IJSRYQVZYPUGBS-UHFFFAOYSA-N	221.065	-0.206	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC[C@@](F)(C2)C1	2243401836	XNMRAXCMARPYAZ-WCBMZHEXSA-N	225.028	-0.648	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)s1	2243407649	WTTQQJCNKUZUCK-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccc(B(O)O)s1	2243407662	WYUSIAUZROUMFV-SSDOTTSWSA-N	239.105	-0.044	50	10	BBGE	
CN(Cc1ncno1)C(=O)C1(B(O)O)CC1	2243409063	AKFPZBKJLLQASM-UHFFFAOYSA-N	225.013	-0.965	50	10	BBGE	
O=C(N[C@@H](CCO)C(F)F)C1(B(O)O)CC1	2243411677	YFRKQVHRRXGDGS-YFKPBYRVSA-N	237.011	-0.874	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1N	2243427273	SNQAJSKUHIPNMK-BGZDPUMWSA-N	226.085	-0.955	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)C(F)F	2243678276	HDHQCNVUHQJNIP-UHFFFAOYSA-N	233.942	-0.896	50	10	BBGE	
CC(F)(F)CCNC(=O)c1coc(B(O)O)c1	2247734052	RBKCDWPNABQYBX-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cn[nH]c1	2247737430	GMFUUPRNQBTNPM-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)o1	2247740770	PHFXARUFTQYLEH-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
Cc1ncncc1CNC(=O)C1(B(O)O)CC1	2247759249	ZEQKKVPWXLLMFZ-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
CCCN(C(=O)c1n[nH]cc1B(O)O)C(C)C	2247784482	VVTJLCLDAPIQTN-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247798760	WYKCKLVJECKJPJ-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H](C[C@H](C)O)NC(=O)C1CC(B(O)O)C1	2247799322	BVXLHEYQDXAZPX-NFTFJBJSSA-N	243.112	-0.095	50	10	BBGE	
O=C(NC[C@H]1CC=CCO1)C1CC(B(O)O)C1	2247806286	DVWSWMUXTKSDDQ-UDNWOFFPSA-N	239.080	-0.299	50	10	BBGE	
CC1(C)CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850173	KYDWGFNMNOGWOQ-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247850521	PGSHQVAJWSIZSL-VIFPVBQESA-N	234.064	-0.611	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCC[C@@H]1O	2247860693	ZWMGPZDBCYSDJZ-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
CC(C)CCNC(=O)c1ncccc1B(O)O	2247869503	STXCZWZNABSVKU-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2247870260	HBAQYPDBCAZGFK-KWQFWETISA-N	235.048	-0.559	50	10	BBGE	
O=C(NCC1(O)CCCCC1)[C@H]1C[C@H]1B(O)O	2247896786	KIUKHZMNYBNDAI-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCO1	2247898344	CPTOULSGHJYNNC-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CC(C)(C)N(CCCO)C(=O)[C@H]1C[C@@H]1B(O)O	2247899159	KXWPJMMOZPFZIP-IUCAKERBSA-N	243.112	-0.141	50	10	BBGE	
CCCNC(=O)Nc1ncc(B(O)O)cc1F	2248217799	IGUAHAYYEXJQGC-UHFFFAOYSA-N	241.031	-0.568	50	10	BBGE	
C=CCC(=O)NCc1cc(B(O)O)ccc1F	2248398349	SRMNEFXLZSRVET-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1cocc1B(O)O	2249407839	ODDNWBJLJJYZQW-XCBNKYQSSA-N	237.064	-0.170	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]1C1CC1	2249410981	PIWOMUAROBZCGG-VIFPVBQESA-N	235.048	-0.416	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1c1cc(B(O)O)ccn1	2251010189	PHODHBMTUIUSPQ-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
C=C1CON(C(=O)c2cc(C)cc(B(O)O)c2)C1	2255515115	SOMJFJHYEWKYDT-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
CCC1CC(NC(=O)c2cncc(B(O)O)c2)C1	2255518380	KDIXAURKHQROAR-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)cn1	2255521943	CVIRUFUSNSQTBA-DIYOJNKTSA-N	246.075	-0.710	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(OC)c(B(O)O)c1	2255691408	DDVFDXLCJWEMOZ-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
CCC1(NC(=O)c2ncccc2B(O)O)CCC1	2255711234	WHFLJPQRNCGGDD-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
C#CCCN(CC)C(=O)c1cncc(B(O)O)c1	2255715069	ABPKKGJVFXXGJU-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ncccc1B(O)O	2255716392	QWJBGCISTPTKQR-VIFPVBQESA-N	246.075	-0.707	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2[C@@H](C)[C@H]2C)n1	2255732515	WDLMGPXTUONBFO-DIYOJNKTSA-N	248.091	-0.546	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1occc1B(O)O	2255738311	QZCDSPLHILKASP-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
CC#CCCNC(=O)Nc1cccc(B(O)O)c1	2255890586	AHJKNKSUJGXIIO-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
CC#CCC(=O)NCCc1ccccc1B(O)O	2256676523	PSJMMUDBZCOPPP-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCC1CCC1	2257490593	DTUWVXZECGWVKL-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1cocc1B(O)O	2258128071	NQORSEMTBZYTKA-KCJUWKMLSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)c1cn[nH]c1	2258139194	TZGIAMQGFVPQQB-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298369030	GLSJMQRVMAFHPA-CVPUBMOQSA-N	239.080	-0.515	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@H]1B(O)O	2298369908	IQPZZXRFDYHZON-LRPJSKTQSA-N	238.096	-0.813	50	10	BBGE	
CC[C@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371199	CHVATCSPXIAWBY-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](OC(F)F)C1	2298375072	XRPATQGLNWOVDM-DSYKOEDSSA-N	249.022	-0.311	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCOC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298377276	KNWUYUISHVVZPF-VVULQXIFSA-N	239.080	-0.752	50	10	BBGE	
CC1(C)C[C@@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463579	MVBGXAPNYNWRHE-OXOINMOOSA-N	241.052	-0.781	50	10	BBGE	
CN1CC(COCc2ccc(C(=O)NN)o2)C1	2299034874	IFVLZNBRAYSRBF-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
COc1cncnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2299344118	JTPBRALTWAOYMZ-PHDIDXHHSA-N	237.024	-0.713	50	10	BBGE	
CN1CC(N(C)CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300380856	PRBPTFZYZVPMMU-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12CCOC[C@H]1C2	2303104320	JTKZCFSNDCMNHR-YWVKMMECSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@](C)(CN1CCCNC(=O)C1)C(=O)NN	2303423728	IUYMTGIKJSVZRP-NSHDSACASA-N	242.323	-0.786	50	10	BBGE	
CC[C@@](C)(CN1C(=O)COC[C@@H]1C)C(=O)NN	2303432375	SKADPAIKZUDHBZ-KWQFWETISA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1cc(N2CCCCCO2)ncc1F	2303834173	AYASOHCKQKRBDH-UHFFFAOYSA-N	240.043	-0.178	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3ccoc3B(O)O)[C@@H]1C2	2312848092	LSQINROUQDUEPO-AUTRQRHGSA-N	249.075	-0.122	50	10	BBGE	
N#C[C@@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317313204	SZEDZEWOAQCZAX-VIFPVBQESA-N	244.059	-0.471	50	10	BBGE	
C[C@@H](NC(=O)Nc1cccc(B(O)O)n1)C1CC1	2317591264	WOTPRHBPVDRKSO-SSDOTTSWSA-N	249.079	-0.319	50	10	BBGE	
CNC(=O)CN(C)C(=O)NC(=O)CCCl	37269384	NYWRABMLOZJDTR-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
NNC(=O)CN1CCCC[C@H]1CCO	58850187	FNOCFFNHAJCTQP-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CC(C)N(CCO)[C@@H](C)CC(=O)NN	58856541	XRCPLQPKBJNRDB-QMMMGPOBSA-N	203.286	-0.542	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCCl	70911687	OHEBYJFYYXWQMC-RNFRBKRXSA-N	234.683	-0.548	50	10	BBGE	
CNC(=O)CNS(=O)(=O)C[C@H](C)CCl	86549918	SUIYSLAVJWGKSL-ZCFIWIBFSA-N	242.728	-0.473	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@H](C)CC(=O)NN	110597693	XBMZRUBAFNVTDO-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ccc(=O)cc2)O1	110601622	QJVJCJMYEBBTAW-NXEZZACHSA-N	237.259	-0.614	50	10	BBGE	
CC[C@@](C)(C(=O)NN(C)C)/C(N)=N/O	149704528	FWUFFXUBEMFOHE-MRVPVSSYSA-N	202.258	-0.258	50	10	BBGE	
Cc1cc(C(=O)NN(C)C)cc(NN)n1	166505570	BAIYLGSNDATLBD-UHFFFAOYSA-N	209.253	-0.118	50	10	BBGE	
COC(=O)[C@@H](C)C(=O)NC(=O)CCl	196233587	WVMISSOBCFDWIB-BYPYZUCNSA-N	207.613	-0.323	50	10	BBGE	
CC(=O)N1CCN(c2cccc(B(O)O)c2)CC1	204235619	QLLLVOUPTPJEGR-UHFFFAOYSA-N	248.091	-0.965	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1N(C)C	226121944	QUUJRYIKEALMPD-DBIOUOCHSA-N	242.367	-0.117	50	10	BBGE	
CC(=O)N[C@H]1CCN([C@H](C)CCC(=O)NN)C1	228341744	UMAFRFWCBLRKDE-SCZZXKLOSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@H](Oc1ccccc1C#N)C(=O)NN	232417850	PPNQDYIEQJVCSW-SNVBAGLBSA-N	235.243	-0.058	50	10	BBGE	
CC(=O)c1scc([N+](=O)[O-])c1B(O)O	238162909	RYNJRAGVVWXSET-UHFFFAOYSA-N	214.995	-0.461	50	10	BBGE	
CCCCN1CCN(CC(=O)NN)CC1	238220917	YFJMDVNKNZBZIK-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
C[Si](C)(OCC(=O)O)OCC(=O)O	238457950	IIOVEIMJRKIQPN-UHFFFAOYSA-N	208.242	-0.109	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC[C@H]2CCCO2)O1	250984008	BRNXMQXVAOUSJO-BBBLOLIVSA-N	244.291	-0.281	50	10	BBGE	
CC[C@@H]1CN([C@H](CC)C(=O)NN)CCN1C	251838073	QMVSRVNIBDTXFF-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](O)c1ccc2c(c1B(O)O)OCO2	258080326	PBLKDNHDZJKGNI-RXMQYKEDSA-N	209.994	-0.852	50	10	BBGE	
CCOC(=O)c1ccc2c(c1B(O)O)OCO2	260291822	WOQBQMLZCQCFBY-UHFFFAOYSA-N	238.004	-0.728	50	10	BBGE	
C[C@@H]1[C@](C#N)(N=C=O)CCS1(=O)=O	306327329	VRJDNYBYBGTYAY-RQJHMYQMSA-N	200.219	-0.208	50	10	BBGE	
C[C@@H](Cl)c1cn(CC(=O)NC(N)=O)nn1	307081357	JDANICFEEQMCMO-SCSAIBSYSA-N	231.643	-0.227	50	10	BBGE	
OB(O)c1cc2cc(O)cc(O)c2s1	307488056	DHNUMFZGZUOWGU-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1c1cnn(C)c1	310305991	COOXXOGNLFQHKO-WPRPVWTQSA-N	237.307	-0.065	50	10	BBGE	
CC1(C)CCN(CC(=O)NN)CC[S@]1=O	321969859	AZABOEFTFLMUIB-OAHLLOKOSA-N	233.337	-0.791	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@](C)(CO)C(C)C	381511084	RAGMJFKQOMKVQO-JTQLQIEISA-N	231.296	-0.850	50	10	BBGE	
CCOC[C@H](Cl)CNCc1nnn(C)n1	382394023	XOOFUUBNEJMHLL-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
C[C@H]1CN(CCC(C)(C)C(=O)NN)C[C@H]1O	388412143	XJBQAOUPQYGZJH-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1CCC(=O)NN	390808658	OUIWATVBCSDYMN-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCOC1	398897346	BZKKMOXNBAXEHK-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CC(=O)Nc1cc(Cl)ccc1B(O)O	405023177	IQDREZGMLSAVID-UHFFFAOYSA-N	213.429	-0.022	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	405038735	YDHQXGSDFOEZCM-XPUUQOCRSA-N	220.037	-0.644	50	10	BBGE	
CC[S@@](=O)N(C)Cc1ccc(B(O)O)cc1	405092055	USMMYBORDJJYET-MRXNPFEDSA-N	241.121	-0.518	50	10	BBGE	
CCN(C)C[C@H](O)CN1CCC(O)(C#N)CC1	687138988	YOJKFZPPCKGPDW-NSHDSACASA-N	241.335	-0.351	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc2c1CCO2	690249925	OALFPPUBZISFME-UHFFFAOYSA-N	221.216	-0.450	50	10	BBGE	
CC1(S(=O)(=O)N2CCOC[C@@H]2N=C=O)CC1	696378263	SHWNZOJPDVLGQV-MRVPVSSYSA-N	246.288	-0.137	50	10	BBGE	
CC(C)n1ccnc1Cn1cc(B(O)O)cn1	699955566	VBPKNMTUETWNEK-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
CNNC(=O)[C@H](CCSC)NC(N)=O	704671447	WZCFICHDQVLINP-YFKPBYRVSA-N	220.298	-0.973	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCNC(=O)CC1(C)C	708101741	RGVZWRLHWNKLJG-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CN)SCc1nsc(C(=O)NN)n1	724325515	YCLIFCOAHFOMDL-BYPYZUCNSA-N	247.349	-0.278	50	10	BBGE	
O=C(CO)NNC(=O)c1cc[nH]c1C1CC1	807195610	HVQPTKFFGUMLMC-UHFFFAOYSA-N	223.232	-0.355	50	10	BBGE	
C[C@](O)(C(=O)NNC(=O)[C@H]1CCCO1)C1CC1	817213736	BFROCILQAQTCBS-LDYMZIIASA-N	242.275	-0.526	50	10	BBGE	
CCCOCC(=O)NNC(=O)c1cn(C)nn1	855186560	ZOWWAQDDBSRGRO-UHFFFAOYSA-N	241.251	-0.997	50	10	BBGE	
COCCN(C)NC(=O)[C@H](O)c1cnc[nH]1	868242211	GGLXPCJNDZCHDK-MRVPVSSYSA-N	228.252	-0.948	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=S)NC(C)C	1119526777	HEJWMQSRUUDOSQ-SMMXGFFBSA-N	231.321	-0.173	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(=O)c1ncon1	1312480062	MAIGUZRHKUKFFS-RXMQYKEDSA-N	238.207	-0.827	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](O)c1ccccn1	1464482024	AFTAVRJKBLHMGL-QMMMGPOBSA-N	238.247	-0.535	50	10	BBGE	
CNc1ccc(C(=O)NN(C)C(N)=O)nc1	1566497323	QBCYWDBVGMCKFX-UHFFFAOYSA-N	223.236	-0.221	50	10	BBGE	
COCCN(C)NC(=O)C[C@H]1COC(=O)C1	1636379548	OGMBKYFLXPOOQU-MRVPVSSYSA-N	230.264	-0.451	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)[C@@H]1CCCCO1	1637662800	INRNHJMCGZLUSR-QMMMGPOBSA-N	244.291	-0.136	50	10	BBGE	
CCN(CCO)NC(=O)c1cnc(C)nc1N	1640010721	GWSGKUPSAOKSPU-UHFFFAOYSA-N	239.279	-0.674	50	10	BBGE	
O=C(O)[C@H](O)CNC[C@@H]1C[C@@H]1Br	1877423133	NTKZJYUIGMEIKV-HCWXCVPCSA-N	238.081	-0.195	50	10	BBGE	
CS(=O)(=O)C[C@H](NC(=O)F)C(=O)O	1886387496	MOUDKVVRLRIALP-VKHMYHEASA-N	213.186	-0.837	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)NNC(N)=S	1886931288	HZQHQNJKXIBZST-RXMQYKEDSA-N	217.294	-0.477	50	10	BBGE	
NC(=O)N1C[C@H]2C[C@H]1CN2C(=O)CCl	1889183214	DRRXZDJDFSDRBP-RITPCOANSA-N	217.656	-0.411	50	10	BBGE	
NC1CC(O)(C(=O)NC[C@H]2C[C@@H]2Cl)C1	1893109269	YAEWAACDLBCETB-UBDASKFYSA-N	218.684	-0.418	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	1896279556	HZJSSNWPBHZILT-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@H](C(=O)NN)C(C)C	1902092797	UDLRBEALFPFERK-ZJUUUORDSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCOC(F)F	1902281516	FEWPVXWKAXDDLS-YFKPBYRVSA-N	211.212	-0.464	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907273494	FREMUKXXIADEQM-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
CCC1(O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927917438	KTECBPIPAMXIOL-YUMQZZPRSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@@H]1CO	1927918295	QVMGKMXQYBKHTI-YIZRAAEISA-N	213.281	-0.931	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)C1CC(F)(F)C1	1928286458	OCQBNXAVHSGCQI-SCSAIBSYSA-N	221.207	-0.474	50	10	BBGE	
CCCN(C[C@H]1C[C@H]1C(=O)NN)OC	1928675094	JTRBQMLJJZAWIZ-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
O=C1CN(C[C@@H]2CC(F)(F)CO2)CC(=O)O1	1936170002	UJBXNMKQMDFFDO-LURJTMIESA-N	235.186	-0.204	50	10	BBGE	
O=C(Cn1cnnc1)N1CCO[C@@H](CCl)C1	1937148855	JTBVNEQRNQXLBA-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=O)[C@@H]1CCCOC1	1937709140	PYEUFPAHRQTMDI-RNFRBKRXSA-N	231.252	-0.873	50	10	BBGE	
COC[C@@H](N)CC(=O)N1CCC(O)(C#N)CC1	1944265000	CJTOPMHKGISOKT-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]3COC[C@@H]32)CC1	1945912000	FTKIQEUCQNFLBA-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
COC[C@@]1(OC)CCCN([C@@H](C)C(=O)NN)C1	1946476183	XCHPYQGXRSUGDR-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@H]1C[C@H]1C(=O)NN)C2=O	1946991446	QGQDOIQEFGTGDA-BPCTXRNPSA-N	237.259	-0.993	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CCC(=O)NN	1955062099	FAWPZXBPZDNHOQ-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
OB(O)c1csc(N2CCC[C@H](F)C2)n1	1961718553	QBJJCJWRJPXVHK-LURJTMIESA-N	230.073	-0.239	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2cnn(C)c2[C@@H]1C	1980303414	XERRGKAUONVKEF-BQBZGAKWSA-N	223.280	-0.325	50	10	BBGE	
CCN(C)C1CN([C@H](C(=O)NN)C(C)C)C1	1980601793	PXYDTEFIOOTJBT-JTQLQIEISA-N	228.340	-0.363	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)c1cnn(C)c1	1980917099	NXKGEVUBQAGMDR-UHFFFAOYSA-N	233.222	-0.519	50	10	BBGE	
CN(Cc1cnsc1C(=O)NN)C1COC1	1981730836	WNGNVULCSQQYKJ-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1C	1982498650	UPVLKBKHOFYVGW-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cn1)N(C)C	1982815865	FOIPIUOQVICGRD-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC2=O)cn1	1983342654	WLTOQOVBRXTUFW-UHFFFAOYSA-N	220.232	-0.583	50	10	BBGE	
NNC(=O)COCCOC1C(F)(F)C1(F)F	1985878048	SAVGLISYIWUMRF-UHFFFAOYSA-N	246.160	-0.338	50	10	BBGE	
CN(C[C@]12C[C@](C)(CO1)C2)C(=O)C(=O)NN	1990326231	XTGUDOWSNXSUDJ-AOOOYVTPSA-N	227.264	-0.996	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@@H](C1)C2(C)C	1990772346	IUXPONBCKQOKNF-DTORHVGOSA-N	225.292	-0.259	50	10	BBGE	
C=C(CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1)B(O)O	1992160438	WIZRNRKKYNHECP-CKIJPRSSSA-N	223.081	-0.336	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)C12CCC2	1993528380	JRYJKAXLROXIFJ-DJLDLDEBSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CC(=O)NN)N1Cc2cncnc2C1	1994942006	MOPLHTKZJORCCM-SSDOTTSWSA-N	221.264	-0.439	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1[C@@H]2CC[C@@H]12	1997530718	UGXZNGHLUJYVGZ-HTQZYQBOSA-N	232.048	-0.644	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC[C@H](C1)C2=O	1997591030	SNODAEIIMRMIKH-DTORHVGOSA-N	239.275	-0.935	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CO)CC(C)C1	2000569837	SCSCRZWXKKJQBG-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN1CCOC1=O	2004244906	CBZZQWDACBHNNW-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@H]3C[C@@H]3C2)nc1	2004929423	KVOQNIJPQPRQTH-QXFUBDJGSA-N	234.064	-0.276	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCCOC2)c(F)c1	2004934184	CNPZCIANRGYPLM-MRVPVSSYSA-N	241.027	-0.542	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@@]3(C)C2)n1	2005015368	ZKWQKHBBSPZCNR-KCJUWKMLSA-N	233.080	-0.689	50	10	BBGE	
CCC[C@@H]1CCN1c1nc(C)ncc1B(O)O	2005017448	FJVULMUAKBOYJS-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
Cc1cnc(=O)n(CCC(F)(F)C(=O)NN)c1	2008869285	YEJBHLHVTJRGFF-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
CCOC12CC(C1)N(C[C@H]1C[C@H]1C(=O)NN)C2	2013071893	OWQYOZHECGXNHE-DKZWSVDFSA-N	239.319	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]2(CCOC2)C1	2019214735	ZSETWVMCWKSLRQ-NSHDSACASA-N	241.291	-0.734	50	10	BBGE	
CCN(Cc1cnnn1C)[C@H](C)CC(=O)NN	2019941503	PMJXJYGRTCZMJW-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc(F)ccc1O	2020067305	GBZKJVLTDDCMFI-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
C[C@H]1CC(=O)N1C[C@]12C[C@](C(=O)NN)(CO1)C2	2023839275	NDNROHOVKOMRQZ-SWPVVBRQSA-N	239.275	-0.854	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1CO	2025434006	WMWKJWFDAPFASI-GWOFURMSSA-N	243.351	-0.049	50	10	BBGE	
Cc1nc(N(C)CC2(F)CC2)ncc1B(O)O	2025752090	KRTDKXQXQLWQDG-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@H]3CC[C@H]32)CC1	2039395882	JGBISDKWMHGSLP-GMTAPVOTSA-N	249.314	-0.139	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2OCC[C@@H]2C1	2052490870	FUNCQZCVWOPTBF-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(N2CCC23CCCC3)ncc1B(O)O	2052553301	GALRGABBMFLJOA-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(B(O)O)c1Cl	2060014833	XDJZSXPCHCGRKF-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCc1ccc(B(O)O)c([N+](=O)[O-])c1C=O	2060036566	KEJOXKIRCCCYHP-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1c(C#N)ccc(B(O)O)c1C=O	2060198603	IJGVWABKOOLZGE-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
C#CCCOCC(=O)Nc1cccc(B(O)O)c1	2067092875	TYTNMZYWJDFBBM-UHFFFAOYSA-N	247.059	-0.655	50	10	BBGE	
O=C(NCc1ccno1)c1cccc(B(O)O)c1	2079012309	RSQSDYWFIUXJDG-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN1CC[C@@H](COCc2ccc(B(O)O)cc2)C1	2080331797	GUQDUOZFKRXALG-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
Nc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1	2208731940	MSQQCWIHODGNDB-MRVPVSSYSA-N	234.064	-0.042	50	10	BBGE	
CSCCNc1ncccc1B(O)O	2210068375	QTEHPWBHBCOXJD-UHFFFAOYSA-N	212.083	-0.464	50	10	BBGE	
C[C@H]1C[C@@H](OCc2nscc2B(O)O)CO1	2211139458	GCXQJBIECOYYCC-NKWVEPMBSA-N	243.093	-0.483	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2211377635	MXZLRMUNLJJQON-QYNIQEEDSA-N	229.041	-0.925	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1ncccc1B(O)O	2212601337	MTAKFBSHYOBGRQ-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1cnc(NC2(C(F)F)CC2)nc1	2212611748	CPDVISPZFQEXKY-UHFFFAOYSA-N	228.995	-0.634	50	10	BBGE	
C[C@@H](CN(C)C[C@]12COC[C@H](C1)C2)C(=O)NN	2215264924	HAGGFQYXJUONFL-JBLDHEPKSA-N	241.335	-0.029	50	10	BBGE	
CN1CC(CN(C)C[C@@H]2CC[C@H]2C(=O)NN)C1	2215774516	XKYXLMCCYJJVER-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215775664	IJZZQCKLHDGCRI-DJLDLDEBSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215775872	JLMPFCMVPYVKGW-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1(CCO)CC1	2215776160	LDMRYSSWZMAIHS-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CC1(C(=O)NN)CCC1	2216535061	VTJQBKVKNPCIPB-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
N#CCCN(c1ncc(B(O)O)cn1)C1CC1	2217171991	GHDJZJCTMWHJDR-UHFFFAOYSA-N	232.052	-0.961	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1nc[nH]n1	2217178493	WQTZNZHASNBJFO-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
CC1(C)NCC[C@H]1Oc1ccc(B(O)O)cn1	2217183886	LLZCAXGSADHWRN-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
C=CC[C@@H](N)COc1nccc(B(O)O)c1F	2217186557	LIPUANQNIHHVFU-SSDOTTSWSA-N	240.043	-0.817	50	10	BBGE	
CCNC[C@@H](CC)Oc1cc(B(O)O)ccn1	2217193297	MARQCTFZNSBCLF-SNVBAGLBSA-N	238.096	-0.472	50	10	BBGE	
C[C@@]1(Nc2ncc(B(O)O)cn2)CCCOC1	2217202623	YBSMHEOTTOYYGN-SNVBAGLBSA-N	237.068	-0.863	50	10	BBGE	
C[C@H](O)C[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2217202986	ODTRIMOCYRTUBW-BDAKNGLRSA-N	238.096	-0.998	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217328635	CDWGTWRCHKTLSX-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1Cc1cccc(B(O)O)c1	2220064632	XGWBNGPIHSHNNY-JQWIXIFHSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CNC[C@@H]3C2)c1	2220067938	WOSCJFDAEOZRNJ-TXEJJXNPSA-N	246.119	-0.982	50	10	BBGE	
C#CC[C@@H](COC)Nc1cc(B(O)O)c(C)cn1	2223648318	JVRXOYWOUWGMSZ-JTQLQIEISA-N	248.091	-0.480	50	10	BBGE	
CCN[C@H]1CCCN(c2ncccc2B(O)O)C1	2223675035	OZZZLWCUHQZFEV-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1coc(B(O)O)c1	2243347596	OGFPSXJWUPLMOL-IYSWYEEDSA-N	243.455	-0.684	50	10	BBGE	
O=C(Nc1nccnn1)C1(B(O)O)CCC1	2243348206	VFSXTXLVGWITQI-UHFFFAOYSA-N	222.013	-0.793	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1occc1B(O)O	2243363754	LPLRRQFOESJYQJ-BDINMYNLSA-N	223.037	-0.656	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)sn2)[C@H]1C	2243377505	ADJFBVCZMYHNHJ-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
Cc1cc(C(=O)NCCC#N)c(B(O)O)s1	2243378706	XXZDFMVPXBBXAE-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390992	FCFGJEFNWRDOLM-BGZDPUMWSA-N	227.069	-0.467	50	10	BBGE	
CNCCC[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2243391751	NVYKRFSPCNDGPS-XHNCKOQMSA-N	228.101	-0.646	50	10	BBGE	
CNCC(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243392108	RHGNLEZBVFXVEW-JGVFFNPUSA-N	228.101	-0.789	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccnn1C	2243396993	UBAAIEQIVADUEF-BQBZGAKWSA-N	223.041	-0.754	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1csc(B(O)O)c1	2243406903	HSNRXZYXBJKUFO-MRVPVSSYSA-N	235.073	-0.724	50	10	BBGE	
Cc1cc(N(C)[C@H](C)CF)ncc1B(O)O	2244150112	XHOLSAPSDKQANR-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
CN(C)NC(=O)C1CN(C2CCNCC2)C1	2244427761	GXTZQUDADYBGFT-UHFFFAOYSA-N	226.324	-0.737	50	10	BBGE	
CC(C)(CCO)CNC(=O)C1(B(O)O)CCC1	2247734014	QQCWRFZTFXBVFU-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@@H]1C(F)(F)F	2247744295	QSTXKEPGSFGMTQ-BQBZGAKWSA-N	248.997	-0.294	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCC(F)(F)C1	2247744700	WUOCXJZSMQHMPL-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
O=C(N[C@]12CCNC[C@H]1C2)C1(B(O)O)CCC1	2247751332	WIBZWBMRDJZILR-KCJUWKMLSA-N	238.096	-0.748	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C(=O)C1(B(O)O)CC1	2247751365	WTTYQIBVHVYPBA-YUMQZZPRSA-N	245.059	-0.421	50	10	BBGE	
CCCCNC(=O)c1cc(B(O)O)cn1CC	2247760249	FFKXKOPDOTWRHL-UHFFFAOYSA-N	238.096	-0.282	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CO)C1CC(B(O)O)C1	2247798775	XCXVWWRMDVSERL-AUXWQGHOSA-N	241.096	-0.483	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247807725	RSZHGBVFKBNKHS-YUMQZZPRSA-N	235.052	-0.736	50	10	BBGE	
CON(C(=O)C1CC(B(O)O)C1)[C@@H]1CCOC1	2247809972	SRIDAMKCJHGQPM-AMDVSUOASA-N	243.068	-0.582	50	10	BBGE	
O=C(NCC1CC(F)C1)c1cc(B(O)O)c[nH]1	2247847461	XNHTZKJUVZCANW-UHFFFAOYSA-N	240.043	-0.828	50	10	BBGE	
CC=C1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247850513	PEAJMVPQOVFCAC-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCOC1	2247855069	MWTKXECAIYLQIT-LGUIWLBCSA-N	241.096	-0.219	50	10	BBGE	
COCC1(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247859332	MBNWBLZMQJTPDG-DTWKUNHWSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccoc1B(O)O	2247867896	AEVLPLXRVWOQAI-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
COC[C@@]12C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247878038	HAERWVVZRXDETI-WPRPVWTQSA-N	239.080	-0.512	50	10	BBGE	
CC(C)(O)C1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887092	KDQYNGJNIACEQO-GEPGNKONSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247896998	MSMSFQFIFMDHLN-DOLQZWNJSA-N	240.112	-0.552	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903771	MOHUDZPXDFUYBW-QCLAVDOMSA-N	240.112	-0.552	50	10	BBGE	
C#CCC(=O)N(C)Cc1ccccc1B(O)O	2248415491	AZCBXLGYTLRAAK-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
C#CCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2248416861	ZQXRJFSXRFJUGN-SECBINFHSA-N	231.060	-0.433	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1cc(B(O)O)co1	2249417071	AGGLDBFWWMXGMW-MRVPVSSYSA-N	236.036	-0.619	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1cc(B(O)O)co1	2249433647	PACNDYFTQIFDFT-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
COCC1(C)CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2251479858	UWNGXDYVNINTPC-VCZAYRLQSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1coc(B(O)O)c1	2255445593	WRPGKIKCDRKSSM-OYNCUSHFSA-N	249.075	-0.265	50	10	BBGE	
CCC=C1CN(C(=O)c2ccncc2B(O)O)C1	2255452601	LIXAOQJHXJHMLY-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2ccoc2B(O)O)C1	2255474130	PPBFDEYJTPGFID-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cccc(B(O)O)c1F	2255498766	VVXXSRAWVJFJDG-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255589473	QUEAQDWBKOXGEM-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)cn1CC	2255730084	GHLZRGXGQMUAOG-VIFPVBQESA-N	248.091	-0.506	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1c(C)cccc1B(O)O	2255730433	MCDZCQJZRBRPBA-UWVGGRQHSA-N	249.075	-0.808	50	10	BBGE	
O=C(NCCc1ccnnc1)[C@H]1C[C@H](B(O)O)C1	2255768948	LZUOFTISHMFYOQ-MGCOHNPYSA-N	249.079	-0.612	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)ccc1O	2256016872	OJYRWVJUBBVJHV-UHFFFAOYSA-N	249.075	-0.234	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2258130024	AKNAHMWEROMNGL-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CCN1C	2298165476	DXADNDZAUANUSY-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2CNC[C@@H]21	2298369805	GCPZSLUMSYPLEY-JLIMGVALSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@]2(CO)C1	2302024127	TXQYRZWJMKFJDO-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CNC[C@H]1F	2303695771	GIRUZSXZWUOYNC-SFYZADRCSA-N	244.075	-0.848	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)c(F)cn2)CCOC1	2303848033	SHMDMJUTODTMGB-JTQLQIEISA-N	240.043	-0.509	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)c(F)cn2)CCOC1	2303852296	KXWPXTPRNMCIDW-SNVBAGLBSA-N	241.027	-0.542	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@H](O3)[C@H]21	2312847999	DRJORRUNUNKYRA-APWOSFEXSA-N	249.075	-0.974	50	10	BBGE	
CNC1CC(Oc2ccc(C=O)c(B(O)O)c2)C1	2317351335	GRMSUKWBYNJUNX-UHFFFAOYSA-N	249.075	-0.692	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNC[C@H](C)O	2318467422	DNCPMLONABKABC-VIFPVBQESA-N	241.291	-0.483	50	10	BBGE	
Cc1ncc(CO)c(/C=N/NC(N)=O)c1O	1605595	IGAITZANDFTCMJ-KGVSQERTSA-N	224.220	-0.410	50	10	BBGE	
NNC(=O)Nc1cccc(S(N)(=O)=O)c1	36948079	WBKCQAKSCJPDNU-UHFFFAOYSA-N	230.249	-0.671	50	10	BBGE	
COC(=O)[C@@H](C)S(=O)(=O)NCCCl	42537487	LLHBGKREROCFLS-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
C#CCN(CC#C)CC(=O)NNC(=O)C1CC1	72906242	IJENAIFIEWBPOV-UHFFFAOYSA-N	233.271	-0.888	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H]1CO	82470219	IAOYUZVUTQJNMF-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
N=C(N)NNC(=O)c1ccc(O)c(O)c1	142348799	SCNPAMMPHZDDKI-UHFFFAOYSA-N	210.193	-0.774	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H]2CCC[C@@H]21	223101575	HBCVSFMQQAYWKT-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124901	CDQGAWZXTUDQCS-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
COc1ccc(OC[C@@H](C)OC)c(B(O)O)c1	228668271	SZBXIQSHJHSDFP-MRVPVSSYSA-N	240.064	-0.211	50	10	BBGE	
CCOC(=O)N(NC(N)=O)[C@@H](C)C#N	238265358	ZXUFIYXHAKCOCU-YFKPBYRVSA-N	200.198	-0.060	50	10	BBGE	
Cc1nc(Br)ncc1B(O)O	238481697	FTXMYWGOKGNUGF-UHFFFAOYSA-N	216.831	-0.773	50	10	BBGE	
NNC(=O)CCc1ccccc1C(N)=O	238657062	CAGJCVZRRCKQJV-UHFFFAOYSA-N	207.233	-0.292	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@](C)(C(N)=O)C1	300534063	UGSMMJZQVUMJLD-KCJUWKMLSA-N	242.323	-0.802	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@@H](C)C1	300794265	ACHIYSSIYXHWSD-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)SCC(N)=O	300828266	OBXMNFVCHYZXGM-RXMQYKEDSA-N	205.283	-0.637	50	10	BBGE	
C[C@@H](Cl)c1nc(N)nc(N2CC(O)C2)n1	306296644	WWXFTJRMKZDRII-SCSAIBSYSA-N	229.671	-0.066	50	10	BBGE	
CS[C@@H]1CCN([C@H](C)C(=O)NN)C1	307452975	ULPLYFBXMFLXKT-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(S(=O)(=O)CCl)C1	308596035	YQWHKCXLZKKLNF-BQBZGAKWSA-N	243.712	-0.406	50	10	BBGE	
CC[C@@H](NS(=O)(=O)CCCl)C(N)=O	379259993	LTXFOSDCIPQOQX-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](CO)[C@@H](C)O	387507686	DVNAFQVFNFMAHA-FSDSQADBSA-N	209.673	-0.281	50	10	BBGE	
COC(=O)[C@H](C)N=c1[nH]c(CCl)nc(=N)[nH]1	390558264	JGTMXMSKQZPXLD-BYPYZUCNSA-N	245.670	-0.582	50	10	BBGE	
CN(C)CCN(C)[C@@H](C(=O)NN)C(C)(C)C	395815754	OCYUTFVCXGBGOZ-VIFPVBQESA-N	230.356	-0.116	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(C#N)c1	396095171	KTEUWRNIXIQPBQ-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
O=C(O)c1ccc2cc(B(O)O)sc2c1O	396387085	SCXOEUJDWKAVGN-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)[C@H](C)CCC(=O)NN	399975254	KSBRROBUZXNKNF-GLSBUQGYSA-N	249.380	-0.156	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)O1	404961908	CRDPFUSLATWEAL-GZMMTYOYSA-N	249.075	-0.128	50	10	BBGE	
CCNC(=O)Nc1cc(B(O)O)ccc1C	405063655	GGCRXAOKJHBJTE-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
CCC[S@](=O)Nc1ccc(B(O)O)cc1F	405191480	WIBAWDUQJHZIJH-INIZCTEOSA-N	245.084	-0.009	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1cncnc1	495624713	HHGZRPUWCMGRKJ-UHFFFAOYSA-N	224.220	-0.252	50	10	BBGE	
Cc1noc(C)c1C[S@@](=O)CC(=O)NN	526884159	GNVSGHJSGBDLCW-OAHLLOKOSA-N	231.277	-0.470	50	10	BBGE	
CC1CC(C(=O)Nc2ncc(B(O)O)s2)C1	575595998	DPKIKALXRRYLEL-UHFFFAOYSA-N	240.093	-0.193	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N=C=S	606276862	JCBWVHUISASKLQ-NTSWFWBYSA-N	207.276	-0.099	50	10	BBGE	
CN(N)C(=O)[C-]1C(Br)=C=NN1C	642844485	PHHDQEZJOXMRIX-UHFFFAOYSA-N	232.061	-0.341	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](C)[C@H]1CO	688738124	PFXUTJIWHBWGGS-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2COCCO2)CC1	692111140	DBIHNWIVKIUWAC-SECBINFHSA-N	240.259	-0.721	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](C#N)C1	693986074	KZTCTOVXOKBCQZ-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
CCN(CC)C1CN([C@@H](C)C(=O)NN)C1	697802845	BKRZQEKTJJQYMS-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NC(=O)NNC(=O)C[C@@H]1CCCCO1	700865196	SYVMCWXVHYLORF-LURJTMIESA-N	201.226	-0.355	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](N2CCC2)C1	702306495	QZSMDHIDGCIMRI-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
O=C(C1CC1)N1CCc2ccc(B(O)O)cc21	713049475	YAZMSVJDUQJONQ-UHFFFAOYSA-N	231.060	-0.335	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@H](F)[C@H](F)C2)O1	714565864	RSKAROLLYHGDPU-LURQLKTLSA-N	249.261	-0.484	50	10	BBGE	
CC1(C)CC(Cn2ccc(B(O)O)n2)C1	723542325	KRWNHWNWSZLORT-UHFFFAOYSA-N	208.070	-0.001	50	10	BBGE	
CC(C)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	821981850	ZSIYYOSQMSZNEC-SECBINFHSA-N	225.292	-0.153	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1ccnnc1)N(C)C	823758044	AQFZIBMJGATQFB-ZETCQYMHSA-N	237.263	-0.812	50	10	BBGE	
CN1CCN(c2cc(C(=O)NN)ccn2)CC1	844193329	TXZUXFQSWNQBJM-UHFFFAOYSA-N	235.291	-0.563	50	10	BBGE	
CN(C)C(=O)NNC(=O)CN1CC(C)(C)C1	847402310	AQTLFNFLOQWEBR-UHFFFAOYSA-N	228.296	-0.369	50	10	BBGE	
COCCN(C)NC(=O)Cc1ccnn1C	848378088	HUFGFCHGXTYARY-UHFFFAOYSA-N	226.280	-0.428	50	10	BBGE	
CC(=NNC(=O)CN(C)C)[C@H]1COCCO1	1116266800	PCCKSVFDTRDTMH-SECBINFHSA-N	229.280	-0.545	50	10	BBGE	
Cn1ccc(C(=O)NNc2ccncn2)cc1=O	1298158924	WDFGKIYDLUILMG-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
CC(=O)NNC(=O)C(C)(C)NC(C)=O	1463818983	FKWSUKAUYLVUHL-UHFFFAOYSA-N	201.226	-0.932	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C=O)cn1C	1463824597	XFLAXJYLPTUUFI-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
CC(=O)NNC(=O)C[C@@H]1C=CS(=O)(=O)C1	1624651951	QZWSKGALGURQRO-ZETCQYMHSA-N	232.261	-0.898	50	10	BBGE	
Cn1cc(C(=O)NNc2ccncn2)n(C)c1=O	1635934250	PQEYBAOXUSADDR-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
Cc1cc(=O)c(C(=O)NNc2nc[nH]n2)cn1C	1648832053	UNDATCPRVPNBMF-UHFFFAOYSA-N	248.246	-0.431	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1ccccc1	1880018162	NPQFLGQKGRZTOH-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
NC(=O)C1(CNC(=O)CCCl)CC1	1881968239	QQKNXWOSINVNEQ-UHFFFAOYSA-N	204.657	-0.003	50	10	BBGE	
C[C@@H](C(=O)NOCCCl)S(C)(=O)=O	1883010050	IRGSLKCCGAWLEV-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
CCn1nnnc1CNOCCCl	1883027303	VWQRGWJAWATQMO-UHFFFAOYSA-N	205.649	-0.047	50	10	BBGE	
NC(=O)C1(OC[C@@H]2C[C@@H]2Cl)CNC1	1883551706	KLFPEHWONOJXTE-WDSKDSINSA-N	204.657	-0.542	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H](N)CS(C)(=O)=O	1886387866	RJSAMGARAXWZDB-WHFBIAKZSA-N	213.686	-0.445	50	10	BBGE	
CNCCCSCCOCC(=O)NN	1891105671	WWBJXWLLBMBPKS-UHFFFAOYSA-N	221.326	-0.664	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)[C@@H]1C[C@H]1Cl	1893470750	WFZGUIIUNOZGDU-PHDIDXHHSA-N	240.712	-0.639	50	10	BBGE	
C=C(COC[C@H]1CCCOC1)B(O)O	1895098022	XLAXKHHRGDYQKT-VIFPVBQESA-N	200.043	-0.002	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@@H]2COC[C@@H]21	1896870280	FFJIZSQPQYIUTN-NKWVEPMBSA-N	248.666	-0.439	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCC1(F)F	1899462216	UGHZCMGCGWXPFS-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H](N)C1	1901341221	QYLPKEKZDAUFMW-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
CC(C)(CN1C[C@@H]2OCC[C@@H]2C1=O)C(=O)NN	1907022724	FBWIXHLFQLVACK-YUMQZZPRSA-N	241.291	-0.750	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907270819	VQKRGXYTSYAMSH-VPJKUYQRSA-N	239.319	-0.827	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	1914254714	HHSAHQIILJOYQN-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2(COC2)C1	1915566721	HLSDRFKMLSGBOX-DTWKUNHWSA-N	225.292	-0.665	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]12CCOC2	1915573740	SYSNTAUCPVDTIV-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@](F)(CO)C1	1917086129	DSCMGBMVRBHIDU-WCBMZHEXSA-N	233.287	-0.449	50	10	BBGE	
CC(C)(C(=O)NNC(N)=O)[C@@H]1CCCO1	1930195954	KARXIROAVGEBSE-LURJTMIESA-N	215.253	-0.109	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)C2(CC2)C1	1930234884	CRZKHVAZUNGSOQ-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
CC[C@]1(O)CCN(CCC(=O)NN)C1	1930889771	JUSZCNXJOYHURI-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
C#CCN(CCCl)C(=O)C1CS(=O)(=O)C1	1933490590	VBMVMSVZDRSMPT-UHFFFAOYSA-N	249.719	-0.268	50	10	BBGE	
CC(C)(O)COCCNS(=O)(=O)CCl	1934297062	PXAZWKKWODSGAR-UHFFFAOYSA-N	245.728	-0.110	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)NNC(N)=O	1935365229	OGHNHZGXVJHLER-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@@H](F)C1	1936025953	HYKXQVADNZXLOK-XSPKLOCKSA-N	233.287	-0.594	50	10	BBGE	
Cc1nccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1936082424	FHWIUYJUEBAVSI-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
CN1CCO[C@H](CN[C@@H]2CN(C)C[C@@H]2Cl)C1	1937205242	TZCPMMNAUUUWMF-OUAUKWLOSA-N	247.770	-0.172	50	10	BBGE	
C[C@@H]1COCCCN1CC1(C(=O)NN)CC1	1938246641	KAWMXQDIXQRHDL-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COCCN1C[C@@H](Cl)[C@@H](c2nnn(C)n2)C1	1939854268	LFIYZOQLLKCSOV-JGVFFNPUSA-N	245.714	-0.137	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@@]1(CO)C2	1942115888	QHSBHEIKHUXEOV-XNDJQWLSSA-N	239.319	-0.541	50	10	BBGE	
CCN(CCOc1ccc(B(O)O)cc1)OC	1942620397	ZKBRDRKKSYJYOZ-UHFFFAOYSA-N	239.080	-0.372	50	10	BBGE	
O=S(=O)(CCl)N1CC([C@@H](F)CO)C1	1953833526	SBRNJCDVAVEDJR-LURJTMIESA-N	231.676	-0.225	50	10	BBGE	
O=C=NC(=O)C1[C@H]2CS(=O)(=O)C[C@H]12	1954211042	CNJRRFSYVVTWLX-WHFBIAKZSA-N	201.203	-0.861	50	10	BBGE	
C[C@H](CCl)CN1CC(=O)NC(=O)C1	1954823037	ZBZBWLFZTSKCIX-ZCFIWIBFSA-N	204.657	-0.180	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@@H]2C[C@@H]2CCl)N1	1955100516	SLXQJFCJNBSITA-BWZBUEFSSA-N	238.740	-0.105	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C(F)(F)C12CC2	1960440057	FQNLAEGUKBTTQJ-BYPYZUCNSA-N	219.191	-0.862	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CCC(=O)NN	1975084751	MVCNBBXPFFRVTF-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ncc(B(O)O)cn1	1976030448	TVXQSJUSSLFZSN-LURJTMIESA-N	223.041	-0.859	50	10	BBGE	
CC(C)COC[C@@H]1CCN(CC(=O)NN)C1	1976189891	QNVCLEOKAFDPPX-SNVBAGLBSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(C)COC[C@@H]12	1976539851	LEGMJRUZLAXXCD-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
N#CC1=CCN(C(=O)CC[C@@H](O)CN)CC1	1979410139	PEQWWNXBXNBSAD-SNVBAGLBSA-N	223.276	-0.232	50	10	BBGE	
CCn1ncc(CN(C)[C@@H](C)C(=O)NN)n1	1981349518	VPFZPUBTSWOKRM-ZETCQYMHSA-N	226.284	-0.892	50	10	BBGE	
Cc1ccnc(N2CC[C@H](F)C2)c1B(O)O	1981414141	OEQWZKZGCFNMOG-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
CC1(C)CN(c2nc(B(O)O)cs2)CCO1	1981471298	HVYFAYIAMQDOGQ-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
CC[C@H](COCCOCC(=O)NN)N(C)C	1983906638	HLFNJQFELOAOLN-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1=CCCC1	1984100986	FPHATGTWKWOMPF-UHFFFAOYSA-N	219.049	-0.362	50	10	BBGE	
C[C@H]1C[C@]1(C)Cn1cc(B(O)O)ccc1=O	1988998151	UHFOWCNPGZEUHL-GZMMTYOYSA-N	221.065	-0.426	50	10	BBGE	
CC(=O)NNC(=O)c1n[nH]c(C(C)C)c1N	1989353837	FJFBSWWPHGOTJS-UHFFFAOYSA-N	225.252	-0.104	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@H]1C1CC1	1990725414	KBIAVEZHBIFOQS-YUMQZZPRSA-N	227.264	-0.998	50	10	BBGE	
NNC(=O)[C@]12CO[C@](Cn3cccn3)(C1)C2	1993888379	CVZNRRLABPRMFU-MGCOHNPYSA-N	222.248	-0.578	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)CCC1(C)C	1994867474	HYASFXANHLGEHT-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CC1(C)[C@H](CO)OCCN1CCCC(=O)NN	1997288956	FBMHETKLMJIDAW-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@@H](N)[C@@H]2C3)CC1	1998094457	JYDUSICZMUNYKY-YGOYTEALSA-N	235.287	-0.399	50	10	BBGE	
O=C(Cc1ccc2c(c1)CCO2)NNCCO	2003030030	KWELBTLQTNBPGM-UHFFFAOYSA-N	236.271	-0.223	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CCCNC1=O	2004249968	SCJGEWOBIZCYMR-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1ncncc1B(O)O	2004916908	RGHYKLSWPNOEEY-ZCFIWIBFSA-N	243.022	-0.610	50	10	BBGE	
CO[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2004918178	ILYKVLUOSOSQMO-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1c1ncncc1B(O)O	2004919914	FGAZHHKTDHNWDH-DTORHVGOSA-N	235.096	-0.076	50	10	BBGE	
CC[C@@H]1CCCN1c1ncnc(C)c1B(O)O	2004972772	KKPJEYFZYWSYHQ-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2005806544	KSGOYFLGJHRYPM-DAORTFEHSA-N	235.287	-0.521	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1[C@H]2CCC[C@H]12	2008840482	MUPDCRXYSUBQLK-UWVGGRQHSA-N	233.076	-0.426	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@H]1C1CC1	2014003435	ZAFYCGOCPQVHPC-UBHAPETDSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1c(C)ncn1C	2014921943	QUTSNNOQQALBRT-VIFPVBQESA-N	239.323	-0.071	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)C[C@H]1CF	2016012982	FKJFDJQOMIOQQE-DJLDLDEBSA-N	249.286	-0.950	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN2CCC[C@H]1C2)B(O)O	2021158403	BNQQMTLAJNECBX-NWDGAFQWSA-N	238.140	-0.029	50	10	BBGE	
C=C(CN(C)C[C@@]1(OCC)CCOC1)B(O)O	2021164799	MJNJWCZWFABAHY-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
OB(O)c1ccc(N2CCOC[C@@H]2C2CC2)nc1	2052473779	XKAAZIKVAXMBOH-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
Cc1cnc(N2CC(CN(C)C)C2)c(B(O)O)c1	2052627068	ZOHPZPZVCHWLCP-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
COc1ccc(C#N)c([N+](=O)[O-])c1B(O)O	2060290199	PLFAXPYSQNWFJY-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
Cc1nccn1CCOc1ccncc1B(O)O	2064612505	YWZZLSLMQBVNPZ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2CCC=C2B(O)O)cn1	2076078068	DTZPDJJKSXVCFK-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CC[C@@]3(C)C2)c1B(O)O	2087040801	JJMQRSIXZKKCRU-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
Cc1cc(B(O)O)c(CN[S@@](C)=O)s1	2209919814	AJAKMQQTEOHXMG-CQSZACIVSA-N	233.123	-0.881	50	10	BBGE	
C[C@H]1CCC[C@H](CN(C)C(=O)C(=O)NN)O1	2210967987	OFPZESYGVSSWRJ-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
COCCCN(C)Cc1cscc1B(O)O	2211139277	FDZWHZVSOYOOIJ-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CCN[C@@H](C)CNc1cc(B(O)O)ccn1	2212602343	CBNURNZXGLLMCQ-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3C[C@H]32)nc1	2212615155	KNIDHTCVWPHCBD-FXBDTBDDSA-N	218.065	-0.028	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCCC[C@@H](O)C1	2215770388	BKTYVGPDUQUDLO-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
Cc1nn(C[C@@]2(F)CCOC2)c(C)c1B(O)O	2216336070	SENCUENAXXKXIY-JTQLQIEISA-N	242.059	-0.692	50	10	BBGE	
N#Cc1ncn(CC2(C(=O)NN)CCCC2)n1	2216862589	DLUWLQCAIUJXKS-UHFFFAOYSA-N	234.263	-0.300	50	10	BBGE	
C=C(CN1C[C@@H]2CCO[C@]2(COC)C1)B(O)O	2217063799	ZQEMTUBLDUBCNZ-QWRGUYRKSA-N	241.096	-0.708	50	10	BBGE	
COC[C@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2217174476	ZRBHGVYDWIWWDR-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1OCC[C@@H]1F	2217177862	OMKZWFYTKKSIFA-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
Cc1cnc(O[C@H]2CO[C@H](C)C2)cc1B(O)O	2217179791	OKHORSILTUSZAW-RKDXNWHRSA-N	237.064	-0.374	50	10	BBGE	
C[C@H](CCN=c1ncc(B(O)O)c[nH]1)C1CC1	2217180525	UEQIOSCWPBIGCP-MRVPVSSYSA-N	235.096	-0.574	50	10	BBGE	
C#CCN(CC=C)c1nccc(B(O)O)c1F	2217180561	UTZLLMRHEXTAGX-UHFFFAOYSA-N	234.039	-0.474	50	10	BBGE	
C[C@@](N)(COc1ccc(B(O)O)cn1)C(F)F	2217188139	KHROEDNVSXVVHT-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
CC[C@H](C)[C@@H](CN)Oc1cc(B(O)O)ccn1	2217189911	KDGRTXVIHBURHV-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccno1	2217196171	QGJMHSOAQHJUTL-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCNC1	2217198712	FJXHSBCMIQPKCG-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
CC1(C)C[C@@H](CNc2cc(B(O)O)ccn2)O1	2217200689	VHPLWQPVOWDTTH-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1C[C@H](CNc2ncccc2B(O)O)CN1	2217200817	MFPSFUAHRMIRLQ-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
C[C@]1(CCO)CCN1Cc1cccc(B(O)O)c1	2220068535	XMRSXLFUZHYXOD-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
Cc1ncn(C)c1CNc1cc(B(O)O)ccn1	2223624854	BKCNAJVNRMKFDB-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@@]12COc1cc(B(O)O)ccn1	2223652207	CTPCRXCUPNOZTG-UISBYWKRSA-N	248.091	-0.732	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1C[C@H]2CC[C@H]1O2	2223677651	QOLRNEMJEHSMQA-GMTAPVOTSA-N	248.091	-0.483	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(CCCl)C[C@H]2O1	2241302793	HBHCLAQOTVUDKC-IWSPIJDZSA-N	221.684	-0.314	50	10	BBGE	
CCN1C(=O)CC(=O)N(C[C@H](O)CCl)C1=O	2243057417	VAIFTNKKEMPWJJ-ZCFIWIBFSA-N	248.666	-0.213	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)C1CN(C)C1	2243363258	CYUDBLJKUSMINN-UHFFFAOYSA-N	226.085	-0.844	50	10	BBGE	
C[C@H](F)CCNC(=O)c1occc1B(O)O	2243363367	FTOGRJRNUWISPI-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243399321	YVTQTGHUQUHBDH-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC(C2CC2)C1	2243401313	PCWMVXLBIZVMNJ-UHFFFAOYSA-N	221.065	-0.351	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ncsc1B(O)O	2243407884	BKFFVXFPNCXUJI-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N(O)C(C)C	2243414960	LOSCKORTKUJFEW-UHFFFAOYSA-N	244.081	-0.629	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1sncc1B(O)O	2243415262	QYKLLHZETMBBRX-IYSWYEEDSA-N	240.093	-0.697	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C1(C)CCC1)B(O)O	2243427252	SIQLOPXSLODFRR-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CC#CC(=O)Nc1cc(C)cc(B(O)O)c1	2243684836	HWPUDYCJVPEHBZ-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C=CCCC1	2244126164	ZPPSPZXAEQGBAS-MRVPVSSYSA-N	220.037	-0.356	50	10	BBGE	
N#CNC(=O)c1cc(B(O)O)c(F)cc1Cl	2244182382	LSUNXAWEFYEZMD-UHFFFAOYSA-N	242.402	-0.630	50	10	BBGE	
CCCN(C[C@H](C)O)[C@H](COC)C(=O)NN	2244881381	GJXPFCLSHSGMFN-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
C[C@@H]1CCN[C@H]1CSCCOCC(=O)NN	2245081216	KSKOICMLHPYCIJ-BDAKNGLRSA-N	247.364	-0.276	50	10	BBGE	
C=CCN(OC)c1cc(B(O)O)c(Cl)cn1	2245913841	YYQZAKRRQXERFA-UHFFFAOYSA-N	242.471	-0.031	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N(C1CC1)C1CC1	2247744048	MUVDBUCWQFKPRY-UHFFFAOYSA-N	234.064	-0.539	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247744621	VQJARADRCMVNMN-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
O=C(NCCCC1CC1)c1occc1B(O)O	2247753768	CHCYYCXVSPBADR-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N1CC[C@@]2(CCNC2)C1)C1(B(O)O)CC1	2247758912	XNLRFLWFTKEKNR-SNVBAGLBSA-N	238.096	-0.795	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2247775194	IKJYCSJLAHINTJ-XVKPBYJWSA-N	234.064	-0.758	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@H]1CNC2	2247806408	MWWHOGOFNUGRKM-QEYWKRMJSA-N	238.096	-0.798	50	10	BBGE	
COCC1=CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247808226	TZYKRKVLGFVMLM-VHSXEESVSA-N	239.080	-0.346	50	10	BBGE	
CN=c1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c[nH]1	2247808387	USBIUXQMXGSWMM-YUMQZZPRSA-N	235.052	-0.653	50	10	BBGE	
NCCC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247809574	ZSTMXUIKXBEYPY-LRHSEUGZSA-N	240.112	-0.517	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]1CF	2247840892	CDXLZHLEJSEPLK-QMMMGPOBSA-N	240.043	-0.731	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2CC(C2)C1	2247849555	BHLRRIXLMVDTPK-UHFFFAOYSA-N	234.064	-0.824	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(B(O)O)o1	2247850463	OSECKVKYDGOVOJ-JGVFFNPUSA-N	235.048	-0.512	50	10	BBGE	
C#CCC1CN(C(=O)c2csc(B(O)O)c2)C1	2247867966	BLUNXMVIMZRHTR-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1occc1B(O)O	2247873713	FOTRDQPWUSXENB-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](N2CCC2)C1	2247887424	OCWUNPHOKYMPEP-BBBLOLIVSA-N	238.096	-0.844	50	10	BBGE	
C#CC1CN(C(=O)c2scc(C)c2B(O)O)C1	2247890998	UOSZPKPVYZNPBI-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
CC[C@H]1COC[C@H]1NC(=O)C1CC(B(O)O)C1	2247892970	KKIZUBNACROJSD-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@H](C)CF)n1	2249305882	SJLWPQCSLLQGIO-ZCFIWIBFSA-N	241.075	-0.433	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)co2)[C@@H]1C	2249415775	ISWYYLFMCXLENE-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1cc(B(O)O)co1	2249428249	CTRBYECGARVKDU-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccnnc1C	2251562771	MFKFWEGYDOBFHO-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2251596849	DEPPCXWFEZKRCW-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
Cc1nc(NC(=O)c2cc(B(O)O)c[nH]2)[nH]c1C	2255464460	WPCUBEKFYHVXGP-UHFFFAOYSA-N	248.051	-0.713	50	10	BBGE	
CC=CCCCNC(=O)c1ncncc1B(O)O	2255504092	GUXHMXJGDLMFHU-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)[C@H]1C[C@H]1B(O)O	2255570825	JMBMZHBCZWZGTE-DVVUODLYSA-N	248.091	-0.008	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)COCC2	2255669624	RDKTUSUMFUJIQB-UHFFFAOYSA-N	245.043	-0.287	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]2CC[C@@H]21	2255671873	XWWBPJGTZDBITI-KCJUWKMLSA-N	248.091	-0.291	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1C	2255684773	PVXZKBCBYXWYGJ-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2(CCC2)C1	2255718530	ARXZHEBLWXFKFZ-UHFFFAOYSA-N	249.075	-0.106	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1coc(B(O)O)c1	2255725727	PHCQTAFISCEQQD-ZDJQOSGVSA-N	247.059	-0.656	50	10	BBGE	
CC#CCCNC(=O)c1cccc(B(O)O)c1C	2255735531	VOXKGYZWOHSRIQ-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C=C[C@@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2255736046	GAFZRLWFXWZSCH-LLVKDONJSA-N	246.075	-0.544	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]3C2(C)C)ncc1B(O)O	2257069712	CBDVTNMENARQNE-DTWKUNHWSA-N	247.107	-0.300	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)c(F)c1	2263396954	ZJGYCBRXAFQYIN-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
NNC(=O)c1cn([C@H]2CCCC[C@@H]2O)nn1	2296507297	QERVCNPEIOHAKS-YUMQZZPRSA-N	225.252	-0.642	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369556	YIHPOFRGKAYBKY-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2298370013	LIZJEAFDDKZJEU-JLIMGVALSA-N	240.112	-0.552	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2298370643	FQZFMUQQSJHSQF-ORWYPTJLSA-N	235.092	-0.038	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)CN	2298376101	IDAFCFFTWAHMLQ-DKIAZLNASA-N	240.112	-0.707	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377049	BTMFFGCUFBMJQI-ZYUZMQFOSA-N	240.112	-0.648	50	10	BBGE	
C[C@@]1(N)CN(C(=O)C2(B(O)O)CC2)CC1(F)F	2299950506	MMMMTFKQSKUTPC-SSDOTTSWSA-N	248.038	-0.812	50	10	BBGE	
NNC(=O)CCCCCCN1C[C@@H](O)[C@H](F)C1	2300624567	CSMARUPEUVNRNR-NXEZZACHSA-N	247.314	-0.059	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1OCCOC1(C)C	2300925347	BHYSGIXYEIPUIZ-DTWKUNHWSA-N	246.307	-0.035	50	10	BBGE	
CC[C@H](CN)Oc1ccc(C=O)c(B(O)O)c1	2301452599	JMEHAAKRIULKBY-SECBINFHSA-N	237.064	-0.705	50	10	BBGE	
Cn1ccc(C(=O)N2CC[C@](C)(B(O)O)C2)n1	2303111573	KNFSHBGAZGLSSN-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
COCc1noc(CN2CC[C@@H](B(O)O)C2)n1	2303158766	NRDYSMCHSGZHQH-SSDOTTSWSA-N	241.056	-0.735	50	10	BBGE	
CC[C@](C)(CN1C(=O)COC[C@H]1C)C(=O)NN	2303432376	SKADPAIKZUDHBZ-LDYMZIIASA-N	243.307	-0.360	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cccc(B(O)O)c1	2307366558	BYQYLGPUVPCDBE-AOOOYVTPSA-N	237.039	-0.403	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1ncccc1B(O)O	2316957581	ZKXAQIKUVOSRAZ-HTQZYQBOSA-N	248.091	-0.464	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H](CO)C1	2317162960	NEDXIEJDZPVVGQ-SECBINFHSA-N	246.075	-0.943	50	10	BBGE	
C#CCN(CC#CC)c1cc(B(O)O)c(F)cn1	2320794973	NZTCNKCTQOSUDD-UHFFFAOYSA-N	246.050	-0.637	50	10	BBGE	
O=[N+]([O-])c1cn(C[C@@H](O)CCl)nn1	34301643	VDAYCKVOMOHLEH-BYPYZUCNSA-N	206.589	-0.214	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)C1CC1	82470019	ILDAYMMGMJYSNM-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
O=C(NCCCl)[C@@H]1CCS(=O)(=O)C1	82998992	OLDWZMFJXDTNMP-ZCFIWIBFSA-N	225.697	-0.224	50	10	BBGE	
CC[C@H](Br)C(=O)NC[C@H](O)CO	85248838	SECLVKHOVLUQST-WDSKDSINSA-N	240.097	-0.371	50	10	BBGE	
O=C(CN1CC(CO)C1)NNc1ccccn1	91467979	RGHKIHNEWTUIRO-UHFFFAOYSA-N	236.275	-0.551	50	10	BBGE	
NNC(=O)c1cc(COC[C@H]2CCCO2)on1	104108284	FYIHPMNEGVPHDB-SSDOTTSWSA-N	241.247	-0.026	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCOC[C@H]1C(N)=O	129323888	FZIUPXBZBYWIPW-BQBZGAKWSA-N	234.683	-0.426	50	10	BBGE	
CN(C)c1cnn(C[C@@H](O)CCl)c(=O)c1	165500627	AARBFULRBRIWQK-QMMMGPOBSA-N	231.683	-0.091	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)C[C@@H](C)O1	199014146	FJWWHSSJXJMTBC-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
Cc1cc(C(=O)NN)c2nc(C)n(CCO)c2n1	217016402	XMIMZKPVFQKCHJ-UHFFFAOYSA-N	249.274	-0.356	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCN(C)C1=O	218357305	MSHXFPTWQNNFMR-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
CNC(=O)CCN(C)S(=O)(=O)CCCl	232301921	YNXFZZGMSPPFLW-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
COC[C@H](Sc1ccncc1N)C(=O)NN	232421533	SXIURYBTLFDBOE-QMMMGPOBSA-N	242.304	-0.239	50	10	BBGE	
C[C@@H](Sc1nccnc1N)C(=O)NN	235240191	LBXQRZXRVYQYHU-SCSAIBSYSA-N	213.266	-0.471	50	10	BBGE	
Cc1nc(-n2cccc2)ncc1B(O)O	238538577	JSURBJSFTXVKGL-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
OB(O)c1cncc(C2CCNCC2)c1	238657117	VWCLKRAHDGYXKE-UHFFFAOYSA-N	206.054	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	306757762	SXRSKRAMWWMYNA-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
CN(N=O)C(=O)N[C@@H]1[C@@H](O)CCC[C@H]1O	308698224	OLFFKBIMDBFGQF-ZMONIFLSSA-N	217.225	-0.417	50	10	BBGE	
Cn1cnnc1[C@H]1CCCN1C(=O)NN	308813663	AJYVDZBGJDJMFP-ZCFIWIBFSA-N	210.241	-0.465	50	10	BBGE	
NC(=S)NNC(=O)C(=O)c1ccccc1	309158051	XXDLKMFICKFCRL-UHFFFAOYSA-N	223.257	-0.266	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)c1ncc[nH]1	309231761	IQGASNRUDAGYOC-SSDOTTSWSA-N	242.260	-0.144	50	10	BBGE	
OB(O)c1cccc(-c2ncc(O)cn2)c1	309271675	AAKUSQSPDIOJKG-UHFFFAOYSA-N	216.005	-0.471	50	10	BBGE	
O=C(CCCCl)N[C@@H]1COC[C@@H]1O	323111413	HJHPMXURSAPTIF-RQJHMYQMSA-N	207.657	-0.119	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@](C)(CN)C1	380791577	FGJQBFFGPSUFQM-QXEWZRGKSA-N	228.340	-0.328	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CCCC(=O)NN	384884420	JGKFIVJXOMPFJV-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCSC[C@H]1CO	388212275	UYBIXMQNIQWCBK-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
O=S(=O)(CCl)NCCc1cc(O)n[nH]1	391385706	UIAPFFVMDVVSGB-UHFFFAOYSA-N	239.684	-0.227	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](SC)C1	394742713	NUCBKHCHLVLOLY-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
COC(=O)CCc1c(O)cccc1B(O)O	396061471	RMPOGHNNLRNDMX-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
O=[N+]([O-])c1cc2[nH]cnc2cc1B(O)O	396114044	UGXVWMIKQPWMAI-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
Nc1csc2cc(C(=O)O)c(B(O)O)cc12	396235590	BQOXMLWJMFXBRG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Cc1cc(NC(=O)c2cn[nH]c2)cc(B(O)O)c1	405041423	XQNLXHRTQRUXEJ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1CCCC12OCCO2	495639841	KEXRZYMONNJBPV-ZETCQYMHSA-N	244.247	-0.083	50	10	BBGE	
COC[C@@](C)(CO)N(C)CC(C)(C)C(=O)NN	689810360	KRUXRYMBMLJMKY-LLVKDONJSA-N	247.339	-0.668	50	10	BBGE	
CC(=O)NCCN1CCC(O)(C#N)CC1	692123289	TVKGAMRLUSNVEB-UHFFFAOYSA-N	211.265	-0.527	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(C#N)CC1	693910384	ASMGPMCZWIWWMO-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)N	704635280	LXBWCALJMTZHJF-QMMMGPOBSA-N	249.336	-0.477	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1Cl)[C@@H]1COCCO1	706693744	GRMHEMBHHUDOPR-HLTSFMKQSA-N	249.694	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCN(C)C1=O	708561946	PWNXLXXSGKDASB-CIUDSAMLSA-N	242.323	-0.837	50	10	BBGE	
OC[C@@H]1[C@H](CO)CCCN1C[C@H](O)CCl	709879268	GMPHBRNDJKQAQK-IVZWLZJFSA-N	237.727	-0.349	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cn(C)nc1C	716413600	MINOEUBLUFAKKI-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@H]2COCCO2)CCC1	750075281	VWFRAPOBTWXABE-MRVPVSSYSA-N	242.275	-0.261	50	10	BBGE	
CCC(=O)NNC(=O)Nc1ccc(=O)n(C)c1	756173411	UCOZCIFLHFHUBP-UHFFFAOYSA-N	238.247	-0.052	50	10	BBGE	
O=C1N[C@@H]2CNNN2[C@@H]2CC[C@H](Cl)C[C@@H]12	953054998	LEWHXSZSXLNXAB-OSMVPFSASA-N	230.699	-0.457	50	10	BBGE	
C[C@H](CC(=O)NNc1cccnn1)NC(N)=O	1118380703	YQOHVWVCWMUZFO-ZCFIWIBFSA-N	238.251	-0.633	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2cncn2C)n1C	1118941689	KIDJMTJPFHORMH-UHFFFAOYSA-N	249.278	-0.457	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncon1	1134614847	PWRXMOBOAGFPOT-RITPCOANSA-N	240.219	-0.744	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)[C@H]1CCCO1	1261266865	UMWWDUPDJOXLEB-RKDXNWHRSA-N	242.275	-0.526	50	10	BBGE	
CC(C)(C#N)CC(=O)NNC(=O)c1ncon1	1289417492	BMBGZSMBGLXCOM-UHFFFAOYSA-N	237.219	-0.230	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)N1CC=C(C#N)CC1	1339103168	YHYVSVQFTXGAGQ-SECBINFHSA-N	224.260	-0.200	50	10	BBGE	
COc1c(C(=O)NN(C)C[C@@H](C)O)cnn1C	1350777839	DVQNZMOWDXRCEX-SSDOTTSWSA-N	242.279	-0.614	50	10	BBGE	
CNC(=O)NNC(=O)CCN1CC[C@H](F)C1	1542262529	MQGZDNDZNDEBTA-ZETCQYMHSA-N	232.259	-0.620	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C(Cl)Cl	1866331814	LVXXZBOGWGHEDV-DMTCNVIQSA-N	242.058	-0.164	50	10	BBGE	
NC[C@@H](O)C(=O)NC1CC(Br)C1	1880965537	ZCLBTEXWDCMAJC-JMMWHDCWSA-N	237.097	-0.652	50	10	BBGE	
CO[C@H](C)COCC(F)(F)C(=O)NN	1886076696	LTMJJVUVIUQWDT-RXMQYKEDSA-N	212.196	-0.337	50	10	BBGE	
CC(=O)N(C)C1CN(C[C@@H](O)CCl)C1	1893817326	IUEDVEBHVNOUJB-VIFPVBQESA-N	220.700	-0.251	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CCN(C)C1=O	1894139723	JTOPVMDKAOVWGB-ZCFIWIBFSA-N	228.252	-0.961	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(F)(C#N)C1	1901254290	XFCOFZGBOCXQKR-SSDOTTSWSA-N	228.271	-0.062	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(F)(C#N)C1	1901254291	XFCOFZGBOCXQKR-ZETCQYMHSA-N	228.271	-0.062	50	10	BBGE	
CC(C)=C(CN1C[C@H]2C[C@H]1CN2C)B(O)O	1901615511	CXJSULLWCGOIGW-ZJUUUORDSA-N	224.113	-0.277	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	1902092794	UDLRBEALFPFERK-NXEZZACHSA-N	231.340	-0.050	50	10	BBGE	
OB(O)[C@H]1CCN(CCc2cnccn2)C1	1902514645	YWHXBOJHUPBKHK-VIFPVBQESA-N	221.069	-0.432	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccoc1B(O)O	1904907240	VYMRFBHHPJXBLN-IZLXSQMJSA-N	227.000	-0.810	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H]1SC	1905231565	VJDOZKFPPUUQEG-DJLDLDEBSA-N	247.364	-0.183	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)CC1(O)CCC1	1908276270	KDUXJLVDCOWUAF-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914009870	BNLXLQWJKPMJTH-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
N#CC[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1915019746	WNIVINSDTTVUQJ-OPRDCNLKSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(COC2)C1	1915567460	JGGYPLSNSXBDAK-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CON1CCN([C@@H](CC(C)C)C(=O)NN)CC1	1915714008	PVKIMGQXYISALQ-JTQLQIEISA-N	244.339	-0.430	50	10	BBGE	
CN(C)NC(=O)c1ccnc(C(N)=NO)c1	1922337535	GFAUFXMUVAFTHX-UHFFFAOYSA-N	223.236	-0.618	50	10	BBGE	
NNC(=O)COCCSC[C@H]1CCCO1	1928182263	XPNJUFXHLVAFRF-MRVPVSSYSA-N	234.321	-0.095	50	10	BBGE	
COC[C@@H](S[C@@H](CO)C(C)C)C(=O)NN	1928317757	UPIZSSNEMWVZII-JGVFFNPUSA-N	236.337	-0.259	50	10	BBGE	
N#C[C@H]1CCCN(CC(F)(F)C(=O)NN)C1	1935936015	PFFXGWZQYWXFGW-SSDOTTSWSA-N	232.234	-0.153	50	10	BBGE	
COCCN(CCF)C[C@H]1C[C@@H]1C(=O)NN	1936084647	NPMAMIFXDSDBMV-BDAKNGLRSA-N	233.287	-0.470	50	10	BBGE	
CO[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1F	1937152907	HJWSDWOLNJZHPA-SFYZADRCSA-N	233.287	-0.329	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937462057	ZJCRISKTTCVKAF-XFWSIPNHSA-N	227.308	-0.829	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941090701	QDLAJEGHFMUSHJ-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
CNC[C@H](O)CN(C)C[C@H](Cl)C#N	1954216698	ZGXQDXZMHMCYTH-SFYZADRCSA-N	205.689	-0.371	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@H](O)[C@H](O)C1	1954232754	ROBNDFDKWSEVAI-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(NC(N)=O)C1	1954680093	GLNIOCWEHZEIRP-BYPYZUCNSA-N	205.645	-0.507	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)[C@@H]1CCS1(=O)=O	1955093735	AZJACJGSLZZAKP-XVMARJQXSA-N	237.708	-0.083	50	10	BBGE	
O=C(CCl)N1CC[C@H](C(CO)CO)C1	1956806196	WHLLHWCULWNOKS-ZETCQYMHSA-N	221.684	-0.326	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC2(CCC2)CO1	1957631707	UAHVGTBXGGWVIM-LURJTMIESA-N	213.237	-0.355	50	10	BBGE	
CCOC[C@@H](NC(=O)NN(C)C)C(=O)O	1957853113	HBKOHZKFJHEIFV-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)C[C@@H]2CCCN12	1960159388	LPUGAGSMUBLKRP-DTWKUNHWSA-N	232.711	-0.107	50	10	BBGE	
CCOCC1CN([C@@H](CC)C(=O)NN)C1	1960429841	KHGZJNVPEODHFC-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
O=S(=O)(NCC(Cl)Cl)c1nc[nH]n1	1965769065	SOCQIRZRNXEXDV-UHFFFAOYSA-N	245.091	-0.113	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)C1CC(Cl)C1	1970050209	CQNABNPWFZYBFG-IEIXJENWSA-N	221.684	-0.137	50	10	BBGE	
O=C(O)C1(c2cccc(B(O)O)c2)CC1	1974582747	BFAYCLZATJYUHK-UHFFFAOYSA-N	206.006	-0.517	50	10	BBGE	
O=C1NCC2(CN(CCOCCCl)C2)N1	1974907309	DFGURYRVVJWCNM-UHFFFAOYSA-N	233.699	-0.391	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCC1CC1	1975101195	ONNLIYQRVWLJAC-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
OB(O)c1cnn(C2C[C@H]3[C@H](C2)C3(F)F)c1	1978366300	KOWBNCSEJIECLD-YUMQZZPRSA-N	228.007	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568886	YGYOQGQAVUJDPW-VAPHQMJDSA-N	227.308	-0.544	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@@H]2CC2(F)F)O1	1985869114	BBDJERWBKUYQFQ-LYFYHCNISA-N	236.218	-0.052	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1COc1ncncc1B(O)O	1985918071	ZXXJPKGOMPXBSP-JIGDXULJSA-N	222.053	-0.563	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(C1)OC[C@@H](O)[C@@H]2O	1986231549	UHQZSHNVICRGQD-OOZYFLPDSA-N	249.694	-0.663	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(CCO)C1	1987907319	OSKYOMIXBVDBHO-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](CO)C[C@H]1CO	1991651088	RDWRLUCPCHYHRK-SFYZADRCSA-N	247.678	-0.490	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCOC[C@@H]1CO	1991714588	IVMWQEPEIZPGPH-PPYPBTKYSA-N	247.678	-0.178	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC12CC(CO)C2	1997987236	MBUJTVZJIJTWIQ-OWNCLDLKSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](Cn1ccnc1)Cn1cc(B(O)O)cn1	2003626458	CRFXMXNPFHOSNY-SECBINFHSA-N	234.068	-0.904	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@H]1C(=O)NC2	2004791035	FKCAUETZSTZUQI-CIUDSAMLSA-N	240.307	-0.892	50	10	BBGE	
COC(C)(C)COc1ncc(C)cc1B(O)O	2004925829	WAFOKBKGGYVJKH-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@H]2C)c1B(O)O	2004974982	SBVZZIPHFIUKFV-VXNVDRBHSA-N	235.096	-0.300	50	10	BBGE	
CCc1cnn(-c2ccc(B(O)O)c(C)n2)c1	2005010273	ZVPUMVKNKQVQSM-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC(F)CC2)n1	2005018839	ZFWZFLAAMPETFM-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN(C)C)C[C@H]1C(=O)O	2012158578	VSCHYTLTIIASQJ-SFYZADRCSA-N	245.279	-0.406	50	10	BBGE	
Cn1cnc2cc(C(=O)NNCCO)ccc21	2012295965	IXTIJEIMCGPSCY-UHFFFAOYSA-N	234.259	-0.200	50	10	BBGE	
OB(O)c1cnn(CC23CCC(CC2)OC3)c1	2017691426	PDAXFVDZSOOWLR-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2COCC[C@H]21	2019209776	KRLPYFGEDWRSJQ-VHSXEESVSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@@H]1C(F)F	2019217875	BPHBSKLQDVVOAV-SFYZADRCSA-N	249.261	-0.013	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	2022768659	LWIBNTCEBFFMAB-KBVBSXBZSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2C2CCC2)nc1	2052596443	AXMIJXCZSRNQEG-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@@]1(C)CCOC1	2055450417	YKVYAUAGNAWLML-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CCc1cc(C#N)c(OC)c(B(O)O)c1	2060262485	RGZRUZZOSFWKMX-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)ccc1F	2079011685	HUGJCMWOTCEALO-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
C=C[C@H](CC)OCCOCC(=O)NN	2210037336	GOBRLGJRAHYKBX-MRVPVSSYSA-N	202.254	-0.026	50	10	BBGE	
CN(C)CCCOCc1cscc1B(O)O	2211139633	HCDLFGWTXJWUFO-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]3C2=O)CCC1	2212250929	YFGOIRTYDMTZIA-HTQZYQBOSA-N	223.276	-0.375	50	10	BBGE	
C=C1COC[C@H]1Nc1cc(B(O)O)ccn1	2212601297	MFFACEPNZISCRF-SECBINFHSA-N	220.037	-0.872	50	10	BBGE	
CC[C@H](CN)Nc1cc(B(O)O)c(C)cn1	2212603635	HYQKPLQVPBLJKQ-MRVPVSSYSA-N	223.085	-0.781	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@H]2C)cc1B(O)O	2212604777	SOZKNLXFZNBTEZ-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
CC[C@](C)(CN)Oc1ccc(B(O)O)cn1	2212606278	RJEYRADVDBFDPZ-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CCN(CCOC)c1cc(B(O)O)ccn1	2212610382	HXKSSUWSPDZIFU-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H]1C[C@H]2O	2215777413	SLSVSPUBZHJCET-OGBGREFGSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@H](C1)C2O	2215777594	TZSSNHXSMVSNLN-GEPHSGDCSA-N	239.319	-0.685	50	10	BBGE	
CC[C@@H](C)N(CCO)c1cc(B(O)O)ccn1	2217176313	UVDZJUXTUVRFNC-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1ccnc(NCc2cnco2)c1F	2217182022	YBJNZFDHQHLAKQ-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
OB(O)c1ccnc(N2CCC3(CC3)C2)c1F	2217184437	TUCXVVPKXVHDJO-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CC(C)C[C@H](N)COc1ccc(B(O)O)cn1	2217189479	DTDPXVJBXCLQFG-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
C[C@@H]1NCC[C@@H]1COc1cc(B(O)O)ccn1	2217194299	UOZUCNAJUSFOED-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCOC[C@H]32)nc1	2217196833	IHTVEYFLOFTZJX-IQJOONFLSA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CN1	2217201824	ZTKWQFMOHCHACF-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
CO[C@@H](CNc1cc(B(O)O)ccn1)C(C)C	2217202261	VWBLYUWKYQBNCT-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
C[C@@H](CCN(C)C)Nc1ncccc1B(O)O	2217203576	XEPMQFMHKCZLOR-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
OB(O)c1cccnc1OCC1CC2(CNC2)C1	2223619286	XAKRWOCRYHAPCV-UHFFFAOYSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)c1	2223632196	GSAVJFSVQHCPGU-ZYLJGPGZSA-N	242.087	-0.316	50	10	BBGE	
Cc1cnc(OCCn2ccnc2)cc1B(O)O	2223639261	BXDOWIXNYWKSHR-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CC1(C)CC[C@@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223640346	VVZRRYYSSGMUGK-SECBINFHSA-N	249.123	-0.184	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12COC[C@H](C1)C2	2223640968	ZWYHGGGZWUMVJX-WVSHTKLVSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1NCc1ccc(O)nc1	2223641373	AKPHBPLALZPZIP-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2c2ccc(B(O)O)cn2)C1	2223643547	XDFLOXKJBYJQEG-OTCDBFHCSA-N	247.107	-0.921	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)c1ccc(B(O)O)cn1	2223650412	MBTNILYLOGCADU-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccnc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c1F	2223661238	PCVPKQSWURDEGF-WCTZXXKLSA-N	249.050	-0.066	50	10	BBGE	
C[C@@H](Cn1cccn1)Nc1ncccc1B(O)O	2223665700	HSIQZTFZESJAFJ-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
CC[C@@]1(N)CCCN(c2cc(B(O)O)ccn2)C1	2223666680	KMZWYVSHVCLLTH-GFCCVEGCSA-N	249.123	-0.531	50	10	BBGE	
CN1CCCC[C@@H]1CNc1ncccc1B(O)O	2223668606	YXHDZTUEQRLDFT-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C=CCCCC1	2224024595	BHWPWOFIRZYUSA-JTQLQIEISA-N	248.091	-0.331	50	10	BBGE	
O=C(Nc1cnsc1)[C@H]1C[C@@H]1B(O)O	2241480308	JZFUKEGDKMGUBR-WDSKDSINSA-N	212.039	-0.056	50	10	BBGE	
C=C(CS(=O)(=O)N(CC)CC)B(O)O	2241481919	WYSLNTCVELRLIF-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]1[C@@H](O)CO	2241830371	KDFDBYYHZWQXMO-KVPKETBZSA-N	219.668	-0.432	50	10	BBGE	
O=C(NC1(CCO)CCC1)C1(B(O)O)CC1	2243363584	JGDJJZMEOUPYRW-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)C1CNC1	2243365171	IUDYZHDLGZKUNH-ZETCQYMHSA-N	226.085	-0.892	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCOC1	2243365190	JAWVNNGAFQRWSL-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CONC(=O)c1cc(B(O)O)cn1C(C)C	2243367171	OTMONYFJHHOZQB-UHFFFAOYSA-N	226.041	-0.960	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1C[C@@H]2C[C@H]2C1	2243378803	ZOTSXZHZNDJFJI-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
O=C(NCc1cccnc1)[C@@H]1C[C@@H]1B(O)O	2243391190	HPVDMBJYRMUEBL-BDAKNGLRSA-N	220.037	-0.439	50	10	BBGE	
CN(Cc1ccns1)C(=O)[C@H]1C[C@H]1B(O)O	2243391491	LJKXZKFVRRXJGM-JGVFFNPUSA-N	240.093	-0.036	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCOCC1	2243415503	WMKHJSXQLIJEKG-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC[C@@H](F)C1	2244548721	TVASQDWHSGWEAP-DTWKUNHWSA-N	227.044	-0.354	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC(C)(C)C(=O)NN	2245123222	LAPDTIOMBILTBL-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)s2)C1	2245435396	KCSQEAOARQCWNG-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
COC[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)C1	2247739997	DUDGHBAWWZUHGV-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ccoc2B(O)O)[C@@H]1C	2247744266	QDQBUFSLTORFHU-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
CC(C)ONC(=O)c1ccc(F)cc1B(O)O	2247752693	UMEOEZMCOZERCN-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@@H]2F)c1	2247752812	WFNNIIZDJVLHHK-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
C#CCN(CCC)C(=O)c1occc1B(O)O	2247755455	JVZUBAZPMAGYGC-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1occc1B(O)O	2247758906	XMRYEKHLEXWFDN-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCC[C@H]1CCNC1)C1CC(B(O)O)C1	2247797625	LMQPACWUBJQENO-XNWIYYODSA-N	240.112	-0.645	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)C1CC(B(O)O)C1	2247797693	MEIGZNAABUQIHL-NWGYLPEXSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CCN1	2247797876	NWSALMZFNYQOAX-SEZDTBSWSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](CCCCCO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247799083	ZOQJXUVLVHRPPI-BBBLOLIVSA-N	243.112	-0.093	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2247799997	KEGDBFBGTWJRIY-FXQIFTODSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CCC[C@H](CN)N1C(=O)[C@H]1C[C@H]1B(O)O	2247809338	PEKXMADJBRAOQP-DOLQZWNJSA-N	240.112	-0.422	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2247846831	MUWUMQUYJMDOFD-RKDXNWHRSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(F)CC1C2	2247846928	OQUXVHCUMFPWCP-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2247847842	CECWLGVDXYASPK-OFKSJOQMSA-N	233.076	-0.447	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)C#CB(O)O)CCCO1	2247848089	GYZJCDVYOFRNSW-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@@H]1F	2247848918	SBPIYDDMXNJZMA-SVRRBLITSA-N	240.043	-0.876	50	10	BBGE	
O=C(Nc1cccnc1)c1ccoc1B(O)O	2247851095	CTYOVWOIYBFKCY-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CC12CC(CN1C(=O)c1ccoc1B(O)O)C2	2247869876	ZYXQZSOXXGJJSZ-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C#CCN(CC#CC)C(=O)C1(B(O)O)CCC1	2247879094	QIXOVJIZTGLGGK-UHFFFAOYSA-N	233.076	-0.131	50	10	BBGE	
CCCC(=O)NCCNC(=O)C1(B(O)O)CC1	2247879922	ZEUGLQYSRUIROA-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)sc1C	2247888396	ZBZJHHWIOROCOL-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
CC1(C)C[C@H](N)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898262	BTFBRRROGCIHMK-HLTSFMKQSA-N	240.112	-0.422	50	10	BBGE	
CCCOC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247900102	TUTQORNMZCKWTJ-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2248588043	YHHLQDDIOAMBIB-RNFRBKRXSA-N	241.052	-0.543	50	10	BBGE	
O=C(NCC1=CCCC1)c1cc(B(O)O)co1	2249419815	LPGRQFYZGGKHOF-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCCN1	2249873370	DZTXINKFVPHIRH-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(F)(F)C2(CC2)C1	2252648690	DRBQSBINFSTJJQ-UHFFFAOYSA-N	247.245	-0.115	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255477458	ZYXQWYUMJLLTTB-QPUJVOFHSA-N	248.091	-0.433	50	10	BBGE	
Cc1ncncc1CN(C)C(=O)C1(B(O)O)CC1	2255482705	YWQAYAJQSLRTNT-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CC=CC[C@@H]21	2255486246	XRWRCDLSQRMNLK-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2255504080	PYWNEQSTRVQJQF-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCOC1	2255682224	DGQLMRGTULJMJY-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1ccc(B(O)O)o1	2255713972	KPAHOJFKWXCNBG-QMMMGPOBSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCC[C@@H]2C1	2255731855	MKRPMGZINATQAX-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2occc2B(O)O)C1	2255737931	LGQKKEJYCHALJJ-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
C#CCN(CC)C(=O)Nc1ccccc1B(O)O	2255915870	BVEKVYALMIWXFL-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
O=C(c1nccnc1B(O)O)N1CCCCCC1	2256069955	SJCURXZXROMACQ-UHFFFAOYSA-N	249.079	-0.827	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]21	2258129806	YPSIOGXZHJSTDJ-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
Cn1ccnc1C(=O)Nc1ccc(B(O)O)cc1	2260807862	LVZFEVCEYVZJHG-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@@H](CO)CC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370313	VLLWDEJXLSJEIM-SZEHBUNVSA-N	241.096	-0.674	50	10	BBGE	
C[C@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298374851	PYIQKFIEQLHQTM-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377620	YAPLUJFLOOMCFC-KYXWUPHJSA-N	241.096	-0.533	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@]2(CO)CC[C@H]1C2	2299777360	ZQSPGLDMUFTGHZ-FTYOSLGDSA-N	239.080	-0.777	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299935628	YFHZSMNWUMODJI-TURQNECASA-N	241.096	-0.389	50	10	BBGE	
CN(C)C1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300370297	KBQKRAPJECHOGM-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccnc(OCc2ccncc2)c1	2301870499	AUOCQSKIIUYAIQ-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2(CC[C@@H]2O)C1	2302049853	LGUZCJDMSHNLNZ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2302496413	KUYPOEFABJCCOS-DCAQKATOSA-N	243.351	-0.049	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306283575	NRQWLGBURIAPTA-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
CCn1cnc(COc2ccccc2B(O)O)n1	2319084614	KLDASRKOBUMWSU-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)[C@@H]1CCNC1	71330875	IRLCWYXONCOVSY-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
CN(CCC(=O)NN)CCc1ccccn1	82466667	ZHYXAXKWMKAHJP-UHFFFAOYSA-N	222.292	-0.064	50	10	BBGE	
CC(C)CN1CCN(CCC(=O)NN)CC1	82468610	QHWGRLVGVWRLHC-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CCN(CC)[C@@H]1CCN(CCC(=O)NN)C1	82469291	BEPCEDAFPOYINC-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
COCCN(C)Cc1cc(C(=O)NN)co1	82470602	RUAHSFIJZOUAEN-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
CN(CCC(=O)NN)CC1CCOCC1	82545681	YVGNXNMMTYXZPW-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(N)=S)[C@H]1C	83590843	YFRYFMMBCVOJDI-VWDOSNQTSA-N	231.321	-0.090	50	10	BBGE	
NC(N)=NC1=N[C@](O)(CCl)CS1	95934872	QIQDTVUNISKSQN-YFKPBYRVSA-N	208.674	-0.710	50	10	BBGE	
CC(=O)OC[C@@H](C(=O)O)N(N=O)C(C)=O	196478047	LXVIMCKBSAPCAI-LURJTMIESA-N	218.165	-0.467	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](N)C1	203225849	PSVGIMYEVVKYJN-MRVPVSSYSA-N	200.286	-0.820	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCOC2)cc1F	203557180	YCFYPCROXRIGBD-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H](C)N)B(O)O	213697796	MQFXWSJWILEPHS-RNFRBKRXSA-N	202.063	-0.979	50	10	BBGE	
N#C[C@@H]1CN(C[C@@H](O)CCl)CCO1	225641672	QALZDMSEUMJYIA-JGVFFNPUSA-N	204.657	-0.190	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444160	ODBVXXQXOZLFIY-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cn[nH]c1	234551858	LDMCDNATNKESPI-LURJTMIESA-N	231.639	-0.080	50	10	BBGE	
C[C@H](O)CN(C)Cc1cccc(C(=O)NN)n1	235542848	LYBBARMFHSTXBX-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
C[C@H]1OCC[C@H]1CN1CC(=O)OC(=O)C1	235593168	LDTLCQORBAUPJY-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
O=C(CCCCCl)N1C[C@H](O)[C@@H](O)C1	236571815	NSYLLUJVSKKQJY-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
C[C@H](OC(=O)CBr)C(N)=O	238455629	OHESWVJGGIDWBA-VKHMYHEASA-N	210.027	-0.202	50	10	BBGE	
Cc1ccc2c(B(O)O)ccc(O)c2n1	238513720	UGCCIIYAXUVAEQ-UHFFFAOYSA-N	203.006	-0.071	50	10	BBGE	
N[C@@H](CCNC(=O)CBr)C(=O)O	238678418	LAFIFOQIWYJUBU-BYPYZUCNSA-N	239.069	-0.701	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@H](C)[C@@H](C)C(=O)NN	252614066	XTHMXZLWDHNZAR-HLTSFMKQSA-N	242.323	-0.789	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)C1	253175760	FMSVWGQSVMPOQB-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
CN1C(=O)Cc2cc(CCNC(=O)NN)ccc21	258728777	JSHQUENKJZABIW-UHFFFAOYSA-N	248.286	-0.079	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@H](C)C1	300967069	WIPWZXNWEBVTSZ-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
OB(O)c1c(F)cc(O)cc1Br	306304832	KRSONVFUKIEQEE-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(CBr)NC[C@@H]1CNC(=O)C1	307125162	SZLSNNXVMGEPGM-YFKPBYRVSA-N	235.081	-0.366	50	10	BBGE	
OB(O)c1c(O)ccc2sc(O)cc12	307463625	GWYCBTQLRVHLRT-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(CCCl)C1	307521122	SWZMCLIFJHLGKL-MRVPVSSYSA-N	206.673	-0.463	50	10	BBGE	
Nc1c(OC(F)(F)F)ccc(F)c1B(O)O	322288050	STFYJLHYQHHJKX-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
O=C(CCl)NC[C@@H](O)CN1CCCC1	379391023	YWCAFCJUNNRRRW-MRVPVSSYSA-N	220.700	-0.202	50	10	BBGE	
CC(=O)NNC(=O)CSC1=NCCCN1	386541214	DIBPUZNLYGSIAQ-UHFFFAOYSA-N	230.293	-0.764	50	10	BBGE	
COC[C@@H](C)OCc1nc(C(=O)NN)co1	386931309	FVITVLACPZYUHF-ZCFIWIBFSA-N	229.236	-0.170	50	10	BBGE	
COc1ccc(C(F)(F)F)nc1B(O)O	396120116	MBVWRLYGTZOUHZ-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCl)o2)CC[C@H]1O	396866827	YPSKZXNJERLRBQ-RNFRBKRXSA-N	247.682	-0.012	50	10	BBGE	
C=CCC(=O)Nc1cccc(B(O)O)c1	405013422	VOFZBINLOMNEFY-UHFFFAOYSA-N	205.022	-0.119	50	10	BBGE	
OB(O)c1ccn(C[C@H]2Cc3ccccc32)n1	694274818	DRCIUGNHSUMKKC-SNVBAGLBSA-N	228.060	-0.097	50	10	BBGE	
NC(=S)NNC(=O)C[C@H]1CCCCO1	700865650	KAHYIZCOFIETIJ-ZCFIWIBFSA-N	217.294	-0.190	50	10	BBGE	
COC[C@@H](C)CC(=O)NNC(N)=S	700867078	VVSFUKXEJIJOQF-YFKPBYRVSA-N	205.283	-0.477	50	10	BBGE	
Cc1nc(/C=C/C(=O)NCB(O)O)cs1	701960882	SUSKDNPHAJTPGX-NSCUHMNNSA-N	226.066	-0.407	50	10	BBGE	
O=C(NCB(O)O)c1cc(O)ccc1F	703771028	QDNURLBEIUTTIO-UHFFFAOYSA-N	212.973	-0.727	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)C[C@@H]1CO	705326533	YUOYWTBOXLTLKA-HRDYMLBCSA-N	223.700	-0.881	50	10	BBGE	
COC[C@H]1CCCCN(CCC(=O)NN)C1=O	711526014	PPYKXHKUUYGVQD-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
COCC(C)(C)Cn1nc(C)c(B(O)O)c1C	712627235	SLWAQEDZSNQILX-UHFFFAOYSA-N	240.112	-0.148	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CSC1	718351345	RSHMRGUCYHXGBP-UHFFFAOYSA-N	238.077	-0.937	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1cnc(B(O)O)s1	718876368	NTIRTWZDJJFSMC-VDTYLAMSSA-N	240.093	-0.905	50	10	BBGE	
CCOC(=O)NNC(=O)c1cnn(CC)n1	814705066	UZWFQTPJZYUWJR-UHFFFAOYSA-N	227.224	-0.311	50	10	BBGE	
CN(NC(=O)C(C)(C)n1cccn1)C(N)=O	831519017	JAPJNIAEFSXSEA-UHFFFAOYSA-N	225.252	-0.340	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCC(=O)NC1	862503650	AEZQPBVDNQTOAK-SECBINFHSA-N	248.286	-0.219	50	10	BBGE	
C=CCNC(=O)NNc1nnc(C)n1C	874982213	KBJHRUBWSMMZKS-UHFFFAOYSA-N	210.241	-0.064	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)NC(C)(C)C)nn1	1118377296	ZQMPMXCUOZQMTM-UHFFFAOYSA-N	240.267	-0.442	50	10	BBGE	
COC(=O)C1CN(S(=O)(=O)CCl)C1	1260930190	SSQUMNRVOVOBPQ-UHFFFAOYSA-N	227.669	-0.383	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC2(F)F)cn1	1293761779	XGVFXFUWHFQTLW-LURJTMIESA-N	244.201	-0.164	50	10	BBGE	
O=C1C[C@H](c2n[nH]cc2[N+](=O)[O-])C(=O)O1	1535794214	FJCMJULNMYBOHM-GSVOUGTGSA-N	211.133	-0.125	50	10	BBGE	
CC(=O)NNC(=O)c1c(CO)noc1C	1539518705	XDFTZNBDDVXSKV-UHFFFAOYSA-N	213.193	-0.744	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2C[C@H]2C(N)=O)nc1	1644368885	WPTCRDXFTUNKHE-SFYZADRCSA-N	245.242	-0.482	50	10	BBGE	
CC#CC(=O)NNC(=O)c1ccc(=O)n(C)c1	1645960487	CPUARCQLYPFTMB-UHFFFAOYSA-N	233.227	-0.830	50	10	BBGE	
C[S@](=O)CC1(C)CN(C(=O)NN)C1	1882699870	IOSYVJIJMYSCDU-ZDUSSCGKSA-N	205.283	-0.730	50	10	BBGE	
O=C(CNCCO)NC[C@@H]1C[C@@H]1Cl	1883562459	BWQJELAEDWZLFR-BQBZGAKWSA-N	206.673	-0.688	50	10	BBGE	
CS[C@H]1C[C@H](C(=O)NNCCO)C1	1886689972	YKAXYIROEGNSRL-LJGSYFOKSA-N	204.295	-0.259	50	10	BBGE	
Cn1ncc(S(=O)(=O)NOCCCl)n1	1888308429	SFRGJDAWTCMOIB-UHFFFAOYSA-N	240.672	-0.736	50	10	BBGE	
C[C@H](C(N)=O)N(C)C(=O)/C=C/C(=O)Cl	1893505021	PXGRTRNQQPXEFK-QLSVQJPWSA-N	218.640	-0.360	50	10	BBGE	
C[C@]1(O)CN(C[C@@H](Cl)C#N)CC[C@@H]1O	1901104340	DTNXBLCFRBVTSR-CIUDSAMLSA-N	218.684	-0.065	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](CO)C1	1901756076	CHGASMRIXXCKJB-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@](C)(CN(C)CC[S@](C)=O)C(=O)NN	1902715296	GBCMJRPIVXNYGY-HWPZZCPQSA-N	249.380	-0.297	50	10	BBGE	
Cc1scc(C(=O)N[C@H](C)CF)c1B(O)O	1902864143	VMGVHXSMBBXLGZ-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
CSC[C@H]1CCCN1CC(=O)NNC(C)=O	1903452808	MJMGUMKJYAHOBN-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C=CCC2)c(F)c1	1905355343	WXOZCZSSLFVQBD-MRVPVSSYSA-N	223.012	-0.002	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H](CO)[C@@H]3C2)CC1	1907274772	VAYZXPBIQHRXCN-LPEHRKFASA-N	239.319	-0.683	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)NC1CCCC1	1913668187	KBHHGOBKQGWENF-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
CN(CC1(CO)CC1)CC1(C(=O)NN)CC1	1915532900	JVSALIQTWCDBSS-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@]2(CO)C1	1928556102	CXFUOGJDFODHFP-SCZZXKLOSA-N	213.281	-0.929	50	10	BBGE	
O=C(NNCCO)[C@H]1Cc2ccccc21	1929835964	APELTJBUZPNFII-JTQLQIEISA-N	206.245	-0.061	50	10	BBGE	
COCc1nocc1CNC(=O)NN	1932344050	WQOMSHOMVVLBFJ-UHFFFAOYSA-N	200.198	-0.506	50	10	BBGE	
C[C@H](c1cncs1)N(C)C(=O)C(=O)NN	1934613056	ODJWQEMEUUOQAX-RXMQYKEDSA-N	228.277	-0.348	50	10	BBGE	
NNC(=O)CCN1CCC2(CCO2)CC1	1935277340	YVTRBEOALWQKHA-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
O=C(NCB(O)O)c1cccc2nccn12	1936156580	GQDQJNNYAXNBMU-UHFFFAOYSA-N	219.009	-0.924	50	10	BBGE	
Cc1sc(=O)n(CCOCC(=O)NN)c1C	1936533600	ZMRQXVAACXZDJC-UHFFFAOYSA-N	245.304	-0.467	50	10	BBGE	
CN1C[C@H]2CN(C[C@H]3C[C@@H]3C(=O)NN)C[C@H]2C1	1941085428	LVIWCCWUEAUMAC-ZNSHCXBVSA-N	238.335	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COCC[C@@H]21	1941371941	FWRIWRSWZPSLFF-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2COCC[C@@H]21	1941781098	XHMRSBQWRPIRFK-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C1(CN2CCN(C3CC3)CC2)CC1	1945892999	ORYCEGBIKPUOPU-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949271548	UCZNMMTYEPLWJI-LMLFDSFASA-N	241.335	-0.011	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@H](N)[C@@H](O)C#N	1952822448	ZCPVASJDVQSJMT-FXQIFTODSA-N	217.294	-0.934	50	10	BBGE	
O=C(NCB(O)O)C1(Br)CC1	1953217936	HRQSMECQLMRIGN-UHFFFAOYSA-N	221.847	-0.958	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)NNCCO)C1	1954938615	JWDJRPLECHORBD-SSDOTTSWSA-N	202.254	-0.585	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](CCF)C1	1956401638	LGCXSODEDLOGKV-LURJTMIESA-N	203.217	-0.816	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CN(C)NC1=O	1957319268	TYWRCCNRNXSNTB-PHDIDXHHSA-N	219.672	-0.535	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C[C@@H]2O)C1)C(=O)NN	1978183854	BJXXSWIRZYFSOM-JXUBOQSCSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCN1C(=O)CC(F)(F)CC1=O	1978963477	QMLBXFICGBBGKO-UHFFFAOYSA-N	235.190	-0.849	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]2C[C@H]21	1979020809	XTVMIQAYQWTBKQ-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2SC(=O)C=C2C1	1981029460	YXZPNRPRYRXQBL-XPUUQOCRSA-N	241.316	-0.361	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H](CF)C1	1981250671	XIWWHCMLMWMKDU-HRDYMLBCSA-N	231.271	-0.717	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]3C2)c1B(O)O	1981413671	JKJBNGIDTXMGPI-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
C[C@H](CN1CCC2(CC1)COC2)C(=O)NN	1983765923	OJCVRQANQFQZMT-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1OCCOC1(C)C	1987308257	PNBPJMMVZABJRA-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(CCO)C1	1987908187	UJDFRAPSJCDFEE-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1CC(CO)C1	1990039685	UDMSMOCOTNGLKO-XHHQTKHESA-N	229.324	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]12CCOC2	1990774533	KENXYWSPSPDVMB-JTQLQIEISA-N	227.264	-0.982	50	10	BBGE	
CO[C@@H](C)CCN(C)CC(=O)NNC(C)=O	1990775913	CEWFLORIPABMSY-QMMMGPOBSA-N	231.296	-0.490	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1C[C@@H](O)CCO1	1991662516	LQZBLHCUVBYBNX-YUMQZZPRSA-N	247.678	-0.036	50	10	BBGE	
C=C(CN1CCS[C@@H]2COCC[C@H]21)B(O)O	1992145784	OHLDSURJCGLRHQ-NXEZZACHSA-N	243.137	-0.239	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccccc1B(O)O	1992835554	DASAYZQCAILRHD-RKDXNWHRSA-N	223.012	-0.793	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)C12CCC2	1993528155	HOVHCOPGTHKXFW-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CN(CC1(F)CC1)c1ccncc1B(O)O	1995037048	SYQYJJFGCSTOQN-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)[C@@H]2C[C@H]21	2002907873	FHKLTOFTIHHWRJ-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(n2cnnc2)C1	2003860458	PARWULYIASXXIA-SFYZADRCSA-N	238.295	-0.851	50	10	BBGE	
CCC(F)(F)CN(C)c1ncc(B(O)O)cn1	2004917836	FVPMMVYYZFGDHD-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
OB(O)c1cccnc1N1CC2(C1)CC2(F)F	2004930883	XWBKGKDHZFUFHP-UHFFFAOYSA-N	240.018	-0.393	50	10	BBGE	
Cc1cc(O[C@@H]2COC[C@H]2C)ncc1B(O)O	2004935241	MCUMIVFQYILRES-PSASIEDQSA-N	237.064	-0.516	50	10	BBGE	
COC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1C	2006559835	DDLKKWOQDFEYQO-RCWTZXSCSA-N	241.335	-0.173	50	10	BBGE	
C[C@H]1[C@H](O)CN1CC(=O)NNc1ccccn1	2011383346	YUSXBXRAKCIJCF-DTWKUNHWSA-N	236.275	-0.410	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012900085	RYOPZJROVBZIAE-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CO[C@H](C)COC[C@H]1CCC[C@H](C(=O)NN)O1	2018242518	KAGFBADWZWUTCG-OPRDCNLKSA-N	246.307	-0.035	50	10	BBGE	
Cc1ncnc(N(C)C2(C)CCC2)c1B(O)O	2018410373	NAZFTFKCDLNDKD-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)O[C@@H](C)C1	2019211451	QDBKQSWIVZVXNZ-IUCAKERBSA-N	243.307	-0.347	50	10	BBGE	
COc1cncc(C(=O)NCC=CB(O)O)c1	2020056188	IQHVYAYQLJYPGH-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
O=C(CC(F)F)NCc1ccc(B(O)O)cc1	2022124566	SBSVGQDACZKZAS-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H](CO)CCC1(C)C	2025411874	FWLHHCANRRGFPZ-SECBINFHSA-N	243.307	-0.611	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC[C@H]3C[C@@H]32)n1	2026067816	IXXQRKGLLTWGPV-OYNCUSHFSA-N	234.064	-0.358	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CC2(CC2)C1	2036187601	CEMVVCNDKZCVRX-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
O=c1c(B(O)O)cccn1CCc1ccncc1	2058160309	HFIQJLJISDLAPO-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
COc1c(B(O)O)cc(Cl)cc1[N+](=O)[O-]	2060016656	DFKNXGUPPLYDPN-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
N#Cc1c(F)ccc(B(O)O)c1[N+](=O)[O-]	2060175012	VHRZIAXBOWBSKS-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CCOc1c(C#N)cc(OC)cc1B(O)O	2060204949	NCQPPKUUHFVPQY-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
O=C(NCc1cn[nH]c1)c1cccc(B(O)O)c1	2079009692	KETTVXWLTPYXCA-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	2079601621	HCNXWLSUHKJCAC-KOLCDFICSA-N	249.123	-0.115	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@@]3(C)C2)n1	2087041930	ORMZIJDOTHJZIE-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@@H]1C[C@@H]1Cl	2208662106	UHBKTPFPSJRBLU-XVMARJQXSA-N	207.657	-0.263	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)[C@@H](C)CN1C	2209951621	ABLGJTSEJSKZSN-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
Cc1c[nH]c(=NCCC(F)F)cc1B(O)O	2212605787	KDYGQIMTVVXOID-UHFFFAOYSA-N	230.023	-0.441	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	2215775621	HZUQDXUSWRNNIT-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C(=O)N1C	2215776209	LLSMJPYRWQAYDS-HRDYMLBCSA-N	240.307	-0.242	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C[C@H](F)C2)CCC1	2216493151	ZOIBEZIQYIEWJU-IUCAKERBSA-N	245.298	-0.449	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)ccn1)C(=O)OC	2217171556	CAIYYWAPYRHWAS-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
C[C@](O)(CNc1ccc(B(O)O)cn1)C(F)F	2217174124	WFZNTZWMPULHAV-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncco1	2217176516	XFFYABMQKXNFFH-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
COCC[C@@H](C)CNc1cc(B(O)O)ccn1	2217176986	CYKXJNCDLJUFDY-SECBINFHSA-N	238.096	-0.154	50	10	BBGE	
CC[C@H](C[C@H](C)O)Nc1cc(B(O)O)ccn1	2217178001	PXEGZADDFANMHS-WCBMZHEXSA-N	238.096	-0.277	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Oc1cc(B(O)O)ccn1	2217193187	LHSRDRGQFKEWPF-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
C=CCOCCN(C)c1cc(B(O)O)ccn1	2217201306	PBHUKMOQULELPY-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220062054	FNRDDYDLGNUZMK-WCFLWFBJSA-N	247.103	-0.821	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1Cc1cccc(B(O)O)c1	2220062233	GERSWLMHYHDBTG-JQWIXIFHSA-N	248.135	-0.465	50	10	BBGE	
N[C@@H](CNc1cc(B(O)O)ccn1)c1ccco1	2223632765	NSCWYBCZWWLTBG-VIFPVBQESA-N	247.063	-0.534	50	10	BBGE	
OB(O)c1cccnc1NCc1cccc(O)n1	2223633550	XXUTZCFSPRGENO-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ccnn1C	2223638259	JZEZBRQPYQALHX-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(B(O)O)cn1	2223653792	UTVFMQHPCBXKSI-GISOBZBCSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1ccnc(OC2C[C@H]3CNC[C@@H]3C2)c1	2223661608	GIXPFUBWGLXUIJ-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
CC(CO)(CO)C(=O)NCC(Cl)Cl	2241246147	OISNYJZTPTVEFC-UHFFFAOYSA-N	230.091	-0.103	50	10	BBGE	
N[C@H]1C[C@@]2(NC(=O)/C=C/C(=O)Cl)CO[C@H]1C2	2243278447	YNALASRPJYZMMN-NNWNZZGKSA-N	244.678	-0.317	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1coc(B(O)O)c1	2243347807	QFLVCQLFPJMTKE-QMMMGPOBSA-N	223.037	-0.416	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C(C)(C)C	2243356345	GHKXXORBBLTKTL-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
O=C(N1CC[C@@H]2COC[C@@H]21)C1(B(O)O)CC1	2243358375	GCSLBCSTDZUSRF-SFYZADRCSA-N	225.053	-0.759	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccc(B(O)O)o2)[C@H]1C	2243361439	BDCOCBRGNOFGIP-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
C[C@H](NC(=O)c1csc(B(O)O)c1)C(F)F	2243362574	SYJMWZKKUIYZQJ-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
CCC[C@@H](NC(=O)C#CB(O)O)C(F)(F)F	2243362603	UDRWDGWQSYIUHQ-ZCFIWIBFSA-N	236.986	-0.151	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(B(O)O)o1	2243362880	XTRPGYVAEVCKBF-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
O=C(N1CCO[C@H](CF)C1)C1(B(O)O)CC1	2243364688	AVYGNPQXVIPSNX-SSDOTTSWSA-N	231.032	-0.810	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CC2)CCC[C@@H]1O	2243364907	FCIDXWYUQSDDOX-CBAPKCEASA-N	227.069	-0.587	50	10	BBGE	
CCC[C@@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243380901	ABBAQWHNWVQOED-YIZRAAEISA-N	228.101	-0.517	50	10	BBGE	
Cc1ncc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2243382079	LIGJCLXLYOGOKQ-JGVFFNPUSA-N	221.025	-0.414	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H](C)O	2243398103	MNRMIBRSBBKCEU-SFYZADRCSA-N	229.085	-0.341	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1csc(B(O)O)c1	2243408147	IBCLOFSPNQUFNT-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCNC1	2243410395	ATFXXVPDQPLYCE-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
NC[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2243416387	KDOTYBADBYJMBE-AMDVSUOASA-N	226.085	-0.811	50	10	BBGE	
NCC1(CCNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243420032	LENLXJWFWFPKNR-JGVFFNPUSA-N	226.085	-0.906	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]12CCCC[C@H]1OCC2	2247740188	HEFUTCKZBXYYCX-MWLCHTKSSA-N	237.064	-0.780	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1cc(F)ccc1B(O)O	2247751935	FSPAYSORFMPBDR-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
CC=CCNC(=O)c1ccc(C)c(B(O)O)c1	2247752155	JSGFVMCXGVFWEZ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
C=C(C)CNC(=O)c1cccc(C)c1B(O)O	2247752158	JTKZEWYLLIDKFB-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N[C@H]1CCNC2(CC2)C1)C1(B(O)O)CC1	2247754612	GQPKVMUQDFJZID-QMMMGPOBSA-N	238.096	-0.606	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)CO	2247756107	MFWGZMWECYDLPF-SCZZXKLOSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@H]1CNC[C@H](F)C1)C1(B(O)O)CCC1	2247758075	SOCRCIZMAFOXKA-HTQZYQBOSA-N	244.075	-0.800	50	10	BBGE	
CCONC(=O)c1cc(OC)ccc1B(O)O	2247759989	ZXLYXTWGMMPKOR-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
CC(C)[C@@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787239	MKMPHPDILCQLJQ-AEJSXWLSSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(N2CCCC2)C1	2247798731	WRXVWEKSDPOPFP-NXEZZACHSA-N	238.096	-0.844	50	10	BBGE	
C=CC1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247808082	JWMCTZTZBYLLQO-DTWKUNHWSA-N	239.080	-0.611	50	10	BBGE	
COC1(OC)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808315	KPQQODKRWARKIL-SFYZADRCSA-N	243.068	-0.929	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809219	YHXHRXWQADZILS-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ccc(B(O)O)o1	2247848251	JFZQOOSWHZDVCA-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)OC[C@H](CNC(=O)C2(B(O)O)CC2)O1	2247877008	AJBLQLDZDULZKA-ZETCQYMHSA-N	243.068	-0.739	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1occc1B(O)O	2247878983	OTGUIWKHEOVOSB-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC(N)CC1	2247900490	XIGAQOGWFHRXJS-BMNUFHGDSA-N	240.112	-0.422	50	10	BBGE	
CO[C@H]1C=C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908918	BUXYXSJXWWNDIM-JXUBOQSCSA-N	239.080	-0.301	50	10	BBGE	
C[C@H]1NCCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247909214	GTDMNNYKNKYSGM-SEZDTBSWSA-N	240.112	-0.504	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)[C@@H]1C[C@@H]1F	2248252330	JBSMWAZQAATUBQ-RITPCOANSA-N	241.990	-0.803	50	10	BBGE	
CC1(CC(=O)O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248587812	UWVWXMZBSPAWKK-NKWVEPMBSA-N	241.052	-0.828	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1C[C@@H](C(=O)O)C1	2248590337	CJFQXZDFMMKSCF-CWKFCGSDSA-N	241.052	-0.829	50	10	BBGE	
CCCCN(CC(=O)O)C(=O)C1(B(O)O)CC1	2248590988	KLZPMAUQIFWADA-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)C[C@@H]1C	2249415798	IZXCMENGPKKHOG-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]2C[C@@H]21	2249426882	AZJGBJGPQXDXII-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCOCC2)c1	2255511960	RPHPNAOCYRCTRU-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC2(CCC2)C1	2255523149	QBNFBBPIBBOLKP-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2n[nH]cc2B(O)O)C1	2255551798	BXXCIPGWKDSFMC-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
Cc1ncc2c(n1)CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2255571122	MKIXJKZXLWUKOE-DTWKUNHWSA-N	247.063	-0.510	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CCC[C@H]32)oc1B(O)O	2255573583	PBWGCKNUMWMQRI-RKDXNWHRSA-N	249.075	-0.108	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255727345	OHECLFUVHSNHET-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
O=C(C=Cc1ccccc1F)NCC#CB(O)O	2256642009	RFJLXCOEHSJLKQ-UHFFFAOYSA-N	247.034	-0.030	50	10	BBGE	
Cc1ccc(CNC(=O)NC2CC2)cc1B(O)O	2264091980	AMELQKPMAGYFSD-UHFFFAOYSA-N	248.091	-0.364	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C=C[C@@H]2C3)c1F	2298224406	CTNRJGKYHREOHO-JGVFFNPUSA-N	234.039	-0.335	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2COC[C@H]21	2298370314	VOJFPOIPSMRQGL-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2298376665	HSSOIAHJWABBDT-REIXXSIJSA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)[C@H]1C[C@H]1B(O)O	2298377607	XOBNQWXVVZDGEY-ZKMCVBIZSA-N	233.076	-0.524	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	2299977720	BAZJIERLXWMZKT-BTQIBKBOSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CCCC(=O)N2)C1	2303120576	KWWGHSFMISMKCZ-MWLCHTKSSA-N	240.112	-0.406	50	10	BBGE	
CC(C)N(C)C[C@@H](O)CN1CC[C@@H](B(O)O)C1	2303131229	AHSFOCHNTCNTPH-GHMZBOCLSA-N	244.144	-0.764	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1ncncc1B(O)O	2307408308	JOBILOKZYJLYGS-OCAPTIKFSA-N	239.059	-0.659	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@H]1CC[C@@H]2C[C@H]12	2312848107	MZBHDOVILFDYPW-HDBBIHSSSA-N	248.091	-0.435	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@H](N)C1	2317150552	GSCCVHUWZCBACC-QWRGUYRKSA-N	246.075	-0.503	50	10	BBGE	
CCC#CC(=O)NCc1ccc(B(O)O)cc1F	2319239874	HOJLOCYOEMGNLT-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1Nc1ncccc1B(O)O	2321009714	UTQOFGXMIBFWHE-MWLCHTKSSA-N	248.091	-0.236	50	10	BBGE	
C[C@@H](N(C)C(=O)C(=O)NN)C(C)(C)C	42796525	UPXFTELISRBAST-ZCFIWIBFSA-N	201.270	-0.131	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H](N)C1	82470169	MRKRMNVELLUCIV-IUCAKERBSA-N	214.313	-0.576	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1CO)C(=O)NN	82470222	OXXALLLOQRPPME-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCNCC1	82470929	XVELAGGPDJHWSU-ZETCQYMHSA-N	200.286	-0.951	50	10	BBGE	
CSCC(=O)NNC(=O)CN(C)C(C)C	89995511	XIYZXUGKNKRKLN-UHFFFAOYSA-N	233.337	-0.163	50	10	BBGE	
COCCN(CCC#N)[C@@H](C)[C@H](C)C(=O)NN	93071887	IMYDOOZTFGHAOB-UWVGGRQHSA-N	242.323	-0.137	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](C)CCC(=O)NN	104107594	WDZBITIRNNBYSF-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCOC1	134790920	FAXNKNLPUYSNPX-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[S@@](=O)CCNC(=O)NC(=O)CCl	135300200	QLTDBYZIDQOYSH-ZDUSSCGKSA-N	226.685	-0.571	50	10	BBGE	
CC(C)[C@H](Oc1cnn(C)c1)C(=O)NN	161338916	HQQBPBCGZDNLLX-QMMMGPOBSA-N	212.253	-0.187	50	10	BBGE	
Cc1ccc(OCc2ccn(C)n2)c(B(O)O)c1	211883645	STUJZEZTDKVXBA-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CNC(=O)C1	229035457	BYWDDYOEERHYIQ-NTSWFWBYSA-N	204.657	-0.134	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCN(C)C1=O	230276592	ONXSVWSBIRBBQE-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@](C)(O)CC1	230375277	GYBSQEVDDJOQEZ-LLVKDONJSA-N	243.307	-0.609	50	10	BBGE	
C[C@H](CN(CCO)CC(F)(F)F)C(=O)NN	231593365	CMSHXLQHIFDGOG-ZCFIWIBFSA-N	243.229	-0.531	50	10	BBGE	
C=CCN(CC=C)CC(=O)NNC(=N)N	238588218	HBJHVHFVVHBOPA-UHFFFAOYSA-N	211.269	-0.825	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCCC[C@H]23)CC(=O)O1	250885095	WGDOESUKAOZOQI-NXEZZACHSA-N	238.287	-0.001	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1cccs1	254383106	RGSYYYBGFKKRRZ-UHFFFAOYSA-N	211.246	-0.056	50	10	BBGE	
N#CC1=CS(=O)(=O)C(N2CCNCC2)=N1	260026914	LBTIOWXFVVCWRQ-UHFFFAOYSA-N	226.261	-0.959	50	10	BBGE	
O=C1NNC[C@@H](N2CCCC2)[C@@H]1Br	306259077	JDVQVQSXBVUXRV-RQJHMYQMSA-N	248.124	-0.151	50	10	BBGE	
OB(O)c1sc2ccc(O)cc2c1O	307037309	DREQTHBNTGEBOH-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)c(Br)n1	307412069	RZPQKUNIQXELFF-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CS(=O)(=O)CCN[C@H]1COC[C@@H]1Cl	323362348	LGBDOAGWXZUDDV-BQBZGAKWSA-N	227.713	-0.373	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)C(=O)NN)C1CC1	324298308	KHGNXMFRKAAMFV-SSDOTTSWSA-N	213.281	-0.083	50	10	BBGE	
O=C(NN[C@@H]1CNC[C@H]1O)c1ccccc1	378706926	QIMNAXKHJBXEKA-NXEZZACHSA-N	221.260	-0.746	50	10	BBGE	
O=C1CN(CCN2CC=CC2)CC(=O)O1	392832873	IQIWBSARYOKSQP-UHFFFAOYSA-N	210.233	-0.756	50	10	BBGE	
O=C(O)c1cc2scc(B(O)O)c2cc1O	396380005	JLPOGVWQBJVXSD-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)C[C@@H](CC)O1	398712018	DZBOHXZKWFZZGN-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
C[C@H]1CCN(Cc2cc(C(=O)NN)no2)C1=O	399639582	XCCYHFMXJVXTEY-LURJTMIESA-N	238.247	-0.354	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1[C@H]2CCC[C@H]21	405024506	ZEEPBFCGFKJUSI-VROVMSAKSA-N	246.075	-0.254	50	10	BBGE	
O=C(CCCCl)N[C@@H]1C(=O)OC[C@@H]1O	675080520	SJTISAITPCCMFU-FSPLSTOPSA-N	221.640	-0.592	50	10	BBGE	
O=C(O)[C@@H]1OC[C@@H](CCl)[C@@H]1[N+](=O)[O-]	687759383	GOZHBJWNIQHRJX-MROZADKFSA-N	209.585	-0.030	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@@H](O)C1CC1	690156558	UDWUTDBEIVJWJX-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
COCC1(Cn2cc(B(O)O)cn2)CCC1	694547095	AGTBDCOMYJIOBC-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)cn2)CC1(F)F	694562454	DBMWBRCBOGNJIY-SSDOTTSWSA-N	215.996	-0.392	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2CC1(CO)C2	694582798	JNDBOWRJLBJBPM-CCNFQMFXSA-N	213.281	-0.788	50	10	BBGE	
COC1(C(=O)NNC(N)=S)CCCC1	700865756	NNOSEFXJVXDXOI-UHFFFAOYSA-N	217.294	-0.190	50	10	BBGE	
C[C@@H](CC(F)(F)F)C(=O)NCB(O)O	701945499	RGPCPUIIGDBEIA-BYPYZUCNSA-N	212.964	-0.297	50	10	BBGE	
CN(C)[C@@H](C(=O)NN)[C@@H]1CCCOC1	708188067	CUSNKTNAZTUNRN-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)c1csc(Cn2ccnn2)c1	711332496	JVWPHQMADGNSMV-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C[C@H](CN1C[C@@H](F)[C@H](F)C1)C(=O)NN	714559270	TZTWDLJTQMMMAN-FSDSQADBSA-N	207.224	-0.396	50	10	BBGE	
CS(=O)(=O)N1CCC(F)(F)[C@H](N=C=O)C1	717845175	ICUDUSIHEZRZOH-ZCFIWIBFSA-N	240.231	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCS[C@H](CO)C1	720076674	VZHUCSKCIGDNHO-YIZRAAEISA-N	247.364	-0.589	50	10	BBGE	
O=C(NN=C1CC(=O)N2CCC[C@@H]12)c1cc[nH]n1	853393030	ZGSUCVALZVSPKQ-VIFPVBQESA-N	247.258	-0.110	50	10	BBGE	
CCN(CCO)NC(=O)C1=C[S@](=O)CCC1	1163280788	GJIMHQVCFYBAIN-MRXNPFEDSA-N	246.332	-0.242	50	10	BBGE	
NC(=O)NCCCCC(=O)NNC(=O)C1CC1	1290033630	KGJBLVFQKUTIPZ-UHFFFAOYSA-N	242.279	-0.618	50	10	BBGE	
NC(=O)CC(=O)NNc1nc2ccccn2n1	1320712566	ZYWHEFJRZBLLFQ-UHFFFAOYSA-N	234.219	-0.952	50	10	BBGE	
CN(CC#N)C(=O)c1cc(B(O)O)ccc1F	1544615291	IDQUWCOPXDVZIZ-UHFFFAOYSA-N	236.011	-0.899	50	10	BBGE	
O=C(CO)NNc1ncc(Cl)cn1	1646315402	HVBYDWJHFDUGOW-UHFFFAOYSA-N	202.601	-0.435	50	10	BBGE	
Cc1ncc(C(=O)NNc2nnc(C)c(O)n2)[nH]1	1650669837	FTMACYCMEMYHCT-UHFFFAOYSA-N	249.234	-0.326	50	10	BBGE	
O=C(NCCO)[C@@H]1C[C@H]1Br	1877336251	KHDBXJNANGXLOR-RFZPGFLSSA-N	208.055	-0.122	50	10	BBGE	
C[Si](C)(C)O[C@@H]1CS(=O)(=O)C[C@H]1N	1882033490	STHPQLYWEWXPMA-RNFRBKRXSA-N	223.370	-0.038	50	10	BBGE	
CCC[C@H](SC1CNC1)C(=O)NN	1882122242	YXNFEMSFIGWCAL-ZETCQYMHSA-N	203.311	-0.150	50	10	BBGE	
NCC[C@H](O)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552508	NCBYODLQCBWPIY-ACZMJKKPSA-N	206.673	-0.560	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](CO)[C@H](N)C1	1885200791	NISQZFGIQVRNFM-XHNCKOQMSA-N	217.700	-0.241	50	10	BBGE	
C#Cc1c(C)c(CN)cc(B(O)O)c1C	1887522714	HROPOXKMFWIKDY-UHFFFAOYSA-N	203.050	-0.577	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1C=CCNC1	1893410737	NEZUYSFTAUNMIX-ZETCQYMHSA-N	214.652	-0.048	50	10	BBGE	
Cc1ccnc(CN(C)C(=O)C(=O)NN)c1	1902866533	YOMDBBLMHSQFOX-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1CO	1906338453	QWBHCVYQEZHDTI-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC=CC[C@@H]1CO	1909020107	YPJBUBZZERYLPT-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
C#CC1(O)CN(C(=O)NC(=O)CCl)C1	1917121883	UCMQIALGLAXFNM-UHFFFAOYSA-N	216.624	-0.859	50	10	BBGE	
O=C(COC(F)F)NNC(=O)C(F)(F)F	1923411846	RNUSTVJDGLTAQH-UHFFFAOYSA-N	236.096	-0.065	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2cnn(C)n2)C1	1928756015	QPJBTPGZXGTLAC-RKDXNWHRSA-N	229.715	-0.174	50	10	BBGE	
C[C@H]1CCC[C@@H]1Cn1cc(B(O)O)cn1	1930302860	HTJIGMJDSSTFLT-DTWKUNHWSA-N	208.070	-0.001	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C1=O	1931260339	KTLFXIJIIPFQCR-ZETCQYMHSA-N	211.265	-0.375	50	10	BBGE	
C[C@H](O[C@@H]1COCC[C@H]1C)C(=O)NN	1932290828	OUEYMUUPKVSUSA-GJMOJQLCSA-N	202.254	-0.194	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]1(C)CO	1932968491	XLVNRILYTZKJAI-WCBMZHEXSA-N	215.297	-0.542	50	10	BBGE	
COC1(CCl)CN(CCS(C)(=O)=O)C1	1935358764	NHUBAMAYAHYARW-UHFFFAOYSA-N	241.740	-0.029	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)CCOCC(=O)NN	1936538555	YKJPHUGRSOHEPS-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CO[C@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1F	1937156555	ZLOQIZSVEGGQEV-RITPCOANSA-N	241.213	-0.720	50	10	BBGE	
Cc1ccc(=O)n(CC2(C(=O)NN)CC2)n1	1938261236	XYNNOOVILGBAHF-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H](C2CC2)C1	1941092880	CWRJKGOGRYZMBG-AXFHLTTASA-N	239.319	-0.277	50	10	BBGE	
COC[C@H]1CCCCN1CCOCC(=O)NN	1941771983	BWKSFUTTXBYJTL-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942116713	XYEWNYJIQOHHGN-NHCYSSNCSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2[C@H](C1)[C@@H]2CO	1944547565	JJLWCFVZKVSYNH-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CP(C)(=O)[C@@H]1CC[C@](N)(B(O)O)C1	1954505363	FCDLXXSLNQOCLR-RNFRBKRXSA-N	205.003	-0.129	50	10	BBGE	
CC(C)[C@@H](O)CN(C)[C@H](C)C(=O)NN	1956485933	ZZISHMYRTPZNLQ-SFYZADRCSA-N	203.286	-0.687	50	10	BBGE	
O=C(NNCCO)[C@@H]1COCCC1(F)F	1957692765	DCPMTJTZXRLZPJ-LURJTMIESA-N	224.207	-0.729	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(CSC)C1	1958880032	JGCXPUIVGDDPKT-MRVPVSSYSA-N	233.337	-0.714	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC2CC1C2	1964997244	SEDMXUNKDDULDK-UHFFFAOYSA-N	231.060	-0.399	50	10	BBGE	
C[C@@H]1C[C@@H](CCn2ccc(B(O)O)n2)CO1	1976358832	WAHPNOROJHCKNZ-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21)C(=O)NN	1976388458	ZHQQMBCMJMPSQH-HXLXBVJFSA-N	223.276	-0.521	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	1981410327	YGYSKUCOKDSBBA-KCJUWKMLSA-N	218.065	-0.392	50	10	BBGE	
Cc1ncccc1[C@H](C)NC(=O)C(=O)NN	1983304150	MQVFUXPGUFIPQX-ZETCQYMHSA-N	222.248	-0.443	50	10	BBGE	
C[C@@H](CN(C)[C@@H](CCO)C(F)F)C(=O)NN	1984133264	ZZVABBKVXWPGGD-BQBZGAKWSA-N	239.266	-0.440	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	1987342766	ZDCILJNPQFPNRI-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](CN(C)CC(F)(F)C(=O)NN)OC	1987965167	AQDNQOQXEWNHDS-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CCS1	1990775414	VMOLIZMGYNMPDW-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
CN(C[C@H]1COCCN1)C(=O)C=CC(=O)Cl	1991649739	HBFHJDHJODQVAP-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCN1CCOC1=O	1991713873	YHTUYJJWYCLTJM-OWOJBTEDSA-N	246.650	-0.124	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992136567	ZGCLAKDXKSICQD-NKWVEPMBSA-N	231.007	-0.591	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1cncc(B(O)O)c1	1995035055	APGZCHGFWBMWQH-OIBJUYFYSA-N	225.028	-0.112	50	10	BBGE	
CC[C@H](C)OC(=O)Nc1ncc(B(O)O)cn1	1996645731	NMELSPWWOYHADE-LURJTMIESA-N	239.040	-0.497	50	10	BBGE	
CCN1CCN(CCOCC(=O)NN)[C@H](C)C1	1998400587	HGTRZWQRPNNHEU-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CO[C@H]1C[C@H](N(C)[C@@H](C)C(=O)NN)C[C@H]1OC	2001480398	JYHMFQKZSJNVJV-AATLWQCWSA-N	245.323	-0.511	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2COC[C@@H]2C)n1	2004930834	XAAJCHBWRAWZTC-XVKPBYJWSA-N	237.064	-0.516	50	10	BBGE	
CN(Cc1nccs1)c1ncccc1B(O)O	2004934151	CJJZCUJXOPTXJZ-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CC(C)COCCOc1ncc(B(O)O)cn1	2004951249	LGGLJSHYIVAGEN-UHFFFAOYSA-N	240.068	-0.792	50	10	BBGE	
CCc1ccn(C[C@H]2CC[C@H](C(=O)NN)O2)n1	2012149908	WMJBQVWNFYSCSM-NXEZZACHSA-N	238.291	-0.017	50	10	BBGE	
CO[C@H]1CC[C@H](n2nc(C)c(B(O)O)c2C)C1	2013950694	AKIOJYLTDXCCSE-UWVGGRQHSA-N	238.096	-0.080	50	10	BBGE	
Cc1cnc(O[C@@H]2CCN(C)C2)c(B(O)O)c1	2021067354	FFPQFEWPXDZQJM-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CCOc1c(C)cc([N+](=O)[O-])cc1B(O)O	2060024862	JVGRKBUMCRTOJR-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
Cc1ccnn(Cc2occc2C(=O)NN)c1=O	2084714148	YLSNHVNPNGLQRR-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@H](N)CN(C)Cc1cccc(B(O)O)c1	2211133624	DFXONQQUAVHSQC-VIFPVBQESA-N	222.097	-0.855	50	10	BBGE	
Cc1nccn1-c1nccc(B(O)O)c1F	2212597178	ZBMLHPKINSNTFL-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
OB(O)c1ccnc(Sc2ncccn2)c1	2212600131	SAJMFPAQZSJMOB-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C[C@@H](O)[C@@H](C)Sc1nccc(B(O)O)c1F	2212600609	XEYCSLBABSZBJP-PHDIDXHHSA-N	245.084	-0.238	50	10	BBGE	
C=C[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612305	JSOUBSWGDIHMIH-SECBINFHSA-N	218.065	-0.226	50	10	BBGE	
CNC(=O)CCN(C)C[C@@H]1CC[C@H]1C(=O)NN	2215772230	MTQNUCVZPXZIMK-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H]1CN(C)CCN1CC1(C(=O)NN)CCC1	2216494912	HKABQRFRXDUIFA-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2C(F)(F)F)c1	2217174216	XLLQHNFSONOGPV-SSDOTTSWSA-N	245.997	-0.098	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@]23CCOC3)nc1	2217178764	AWJISHFWVHBFLW-MWLCHTKSSA-N	234.064	-0.648	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(B(O)O)cn2)CCN1	2217179923	OWGYEVOXTNPFMB-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)C[C@H](N)C1	2217185861	CDJWSRKYOJGIEA-HOMQSWHASA-N	236.080	-0.732	50	10	BBGE	
CC1([C@H](N)COc2cc(B(O)O)ccn2)CC1	2217196418	RXZSMVKBMWHQEY-SECBINFHSA-N	236.080	-0.732	50	10	BBGE	
NC[C@H](Oc1nccc(B(O)O)c1F)C1CC1	2217197346	ZZUJWWIMVYPCPY-QMMMGPOBSA-N	240.043	-0.983	50	10	BBGE	
CC(C)n1ccc(=Nc2cc(B(O)O)ccn2)[nH]1	2223630243	YHDMFLXAERYXMH-UHFFFAOYSA-N	246.079	-0.296	50	10	BBGE	
OB(O)c1ccnc(NCC23CCC(CC2)O3)c1	2223633942	DDDRIPSDWAQCMO-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCCN2)cc1B(O)O	2223649989	GVKGQRMNVHPIEQ-JTQLQIEISA-N	249.123	-0.376	50	10	BBGE	
CS[C@@H]1CC[C@@H]1NC(=O)C#CB(O)O	2241467903	CXHDCMKXEMQIML-NKWVEPMBSA-N	213.067	-0.988	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)sn1	2241468547	QEXUPQNBGCUDBB-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
CC(C)ONC(=O)[C@H]1C[C@@H](B(O)O)C1	2241474284	AAMRBQZEAFGZRJ-KNVOCYPGSA-N	201.031	-0.304	50	10	BBGE	
COC[C@@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2241480825	MLJAJHRXHNAOBV-VQVTYTSYSA-N	201.031	-1.000	50	10	BBGE	
CCCN(OC)C(=O)[C@H]1C[C@@H]1B(O)O	2241495047	GGZJUERERMEVMP-BQBZGAKWSA-N	201.031	-0.351	50	10	BBGE	
CNC(=O)c1cccc(Cl)c1B(O)O	2241503583	BQZANJHLLDJBFW-UHFFFAOYSA-N	213.429	-0.621	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@@H](C)C(=O)NN	2242162281	KWLNRYPIUYDZFZ-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](CN(C)C)NC(=O)C1(B(O)O)CCC1	2243346760	CCQSWMCIUSAILP-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cscc1B(O)O	2243348019	SGUPGFBOFMKUGP-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
CC[C@H](O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243348174	UVUBDPVJXANZLG-SFYZADRCSA-N	229.085	-0.341	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C(C)(C)C(F)F	2243356162	CELLNZGYMHCGII-ZCFIWIBFSA-N	233.023	-0.202	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)CO1	2243357254	UBINRQVIABTPNR-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
CC(C)[C@@H](O)CCNC(=O)C1(B(O)O)CC1	2243363570	IYXZXCYDRZEQKM-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
COC(C)(C)[C@H](C)NC(=O)C1(B(O)O)CC1	2243365298	KSLBPUFJNJPUSF-ZETCQYMHSA-N	229.085	-0.077	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NC(=O)C1CC(B(O)O)C1	2243397356	ZNZJHHCMKMKYDH-AHXNPOBLSA-N	227.069	-0.875	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCOC1(C)C	2243398645	GHXLLQIPVBJORI-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
C=CCN(CC)C(=O)c1ccc(B(O)O)o1	2243401543	SNSJAQGVFDWHTB-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CN1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243415223	QKNSHCWDUWUHIZ-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
O=C(NCCOCC(F)F)[C@@H]1C[C@@H]1B(O)O	2243427301	SVQWRVHZGURWRJ-RITPCOANSA-N	237.011	-0.753	50	10	BBGE	
C=CC(=O)N1CCc2c(B(O)O)cccc21	2243674730	MYXKQJHYORHBJJ-UHFFFAOYSA-N	217.033	-0.559	50	10	BBGE	
OB(O)C1CCN(C[C@@H]2COCCO2)CC1	2244179795	GBKJTEIYJKBHIS-SNVBAGLBSA-N	229.085	-0.659	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2244205755	NBMVJWCFMKEGCD-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
CP(C)(=O)C1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2244276248	ARVHMRPMYVUWTE-APPZFPTMSA-N	245.263	-0.081	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1coc(B(O)O)c1	2247731946	BDLAYDHXAYQFKK-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C/C=C/CNC(=O)c1c(C)cccc1B(O)O	2247752371	OBLSBZDRJPMKQA-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
CO[C@H]1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247753228	CZJQPNVLBVUIFZ-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247754809	HSENASQXHGKAPZ-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)COC1	2247784827	BGEZTABBWYZNTN-DTORHVGOSA-N	241.096	-0.218	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C(=O)[C@@H]1C	2247798011	PLLOPCGCBMFPBK-MZUZGICHSA-N	239.080	-0.120	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCN1C(=O)C#CB(O)O	2247850006	IQMLIRAKRROZNF-VHSXEESVSA-N	239.080	-0.846	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247870840	QQVCRODTLMHHJB-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC=CC2)c1	2247874842	QAGFZMSDOFFEFI-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
C[C@@H](O)CC(C)(C)CNC(=O)C1(B(O)O)CC1	2247878502	KVNOMORZKKSOAB-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCC1CCOCC1)C1CC(B(O)O)C1	2247892984	KPKZHSHEJUXHJC-UHFFFAOYSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H](C1)OC2)[C@@H]1C[C@H]1B(O)O	2247898697	HAMUSTCDFYHZHD-SJQPAMGKSA-N	239.080	-0.323	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](C2(O)CC2)C1	2247898943	IVCMYVBIDFZHIU-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1OC2(C)CC1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247900808	ZVGSHTCSSNYESS-SKWJHXSUSA-N	239.080	-0.325	50	10	BBGE	
C=C(C)C(=O)N1CCc2c(B(O)O)cccc21	2248395512	MUJZBJHHQUGBOU-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248574750	CGFRNVVMLGRXAE-WDSKDSINSA-N	247.031	-0.689	50	10	BBGE	
CC(C)[C@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2248577563	OGYKTAXMWDWPAP-VIFPVBQESA-N	243.068	-0.391	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)c(O)c1	2248585808	QTTHULLYJIZYFJ-UHFFFAOYSA-N	235.004	-0.645	50	10	BBGE	
CCN(OC)C(=O)c1ncc(B(O)O)cc1C	2248967603	APSZASAQCQHCRY-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](Cn3ccnc3)(C1)OC2	2251810698	KBUCXAZXPYMFIH-QWRGUYRKSA-N	236.275	-0.188	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ncc(B(O)O)cn1	2255471655	WFTQILOVTTUZAV-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
C=CC1(NC(=O)c2cc(F)ccc2B(O)O)CC1	2255503150	KJIUOZWJQUNRJO-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
N#CCCNC(=O)c1cc(B(O)O)cn1C1CC1	2255503642	FNHXCZPZPHOPRH-UHFFFAOYSA-N	247.063	-0.854	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(C)c(B(O)O)c1	2255512469	ZYNHDNLBZQFCBR-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ccncc1B(O)O	2255726417	VESBGDMWIFGBLQ-QMMMGPOBSA-N	246.075	-0.709	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1c[nH]nc1B(O)O	2255789610	JTOJGDXEZAOGMB-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
CC[C@H](NC(=O)c1nccnc1B(O)O)C1CC1	2256055872	PNPQTSQPXTZQET-QMMMGPOBSA-N	249.079	-0.925	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1cc(B(O)O)co1	2258129956	ZPVHDKPMJCEQID-MYJAWHEDSA-N	249.075	-0.313	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)co2)ncn1	2258133647	QGWNZPUPGAVCHZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC=CC[C@@H]21	2258135368	RERAWHUGYCKCBG-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2258142504	DRWKYVMRNPZXGP-FBSDJGSXSA-N	249.075	-0.266	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)ccc1O	2258959232	OIQLXPSQXDZSOO-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CC(C)(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298370364	WXNRUKFLIBVMOY-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]2[C@@H]1CO	2298377541	VBJHVBNWDPIFAN-IGORNWKESA-N	239.080	-0.921	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H]2C[C@]2(O)C1	2302060128	NDNOESVCLBMHFQ-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCO2)c(B(O)O)c1	2302413816	ZZMLQDAJIWDLQI-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CC[C@@H](C)NC(=O)CN1CC[C@](C)(B(O)O)C1	2303134200	OLPIEPUEZVREGA-KOLCDFICSA-N	242.128	-0.160	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccoc1B(O)O	2312857183	XGEHXMKJZGKDJO-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317168845	ZHXTXROUUKXSFT-QPUJVOFHSA-N	246.075	-0.315	50	10	BBGE	
O=Cc1ccc(N2CC3(CC3)CO2)cc1B(O)O	2317308504	LCJQNPLASFESMX-UHFFFAOYSA-N	247.059	-0.289	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(N(C)C)CC1	82467665	IGUSEMUBPYZVHZ-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
CC1(C)[C@H]2C(=O)N(CCC(=O)NN)C(=O)[C@H]21	82924160	BPTBTLCNVMSCSM-KNVOCYPGSA-N	225.248	-0.993	50	10	BBGE	
Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NN	86113392	FVMHRZNNSCDHRB-SCSAIBSYSA-N	226.236	-0.541	50	10	BBGE	
CCN(CC(=O)NNc1ccccn1)C1CNC1	90291573	WFBSLWNZWAHXNL-UHFFFAOYSA-N	249.318	-0.182	50	10	BBGE	
Cn1cnn(C[C@H](Cl)C(=O)O)c1=O	132875935	JKFWNJQAHHUSFP-BYPYZUCNSA-N	205.601	-0.726	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)[C@@H](C)CO1	199009707	SEUSOZXMENAPAA-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247630	BYUCRZPWYMGFJN-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)CC(F)F	231592438	HFESWWCAHZSSCV-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(O)C1)C(=O)NN	235447642	ZGWLMVVQHCEFJI-VXNVDRBHSA-N	201.270	-0.931	50	10	BBGE	
CCOC(=O)c1ccnc(F)c1B(O)O	238269491	PNQGLAABZMGUGT-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
N=C(N)NS(=O)(=O)CCCCCl	238589563	FBWGOYIXNYHKDZ-UHFFFAOYSA-N	213.690	-0.182	50	10	BBGE	
NC(=S)NNC(=O)C[C@H]1CCOC1	307127681	DRCMJSXLQGRQSO-RXMQYKEDSA-N	203.267	-0.723	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(OC(C)C)cn1	310318624	YRNRTWMXYFSBGX-VIFPVBQESA-N	242.279	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C)(O)C1	384190366	ZCPXYVLPQQMRQC-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](CO)C2)n1	395318062	KEKMDWKZQNIFKJ-ZETCQYMHSA-N	240.263	-0.908	50	10	BBGE	
OCc1ccc(O)c2scc(B(O)O)c12	396335297	DIJXMYULCVAOHA-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(N)CCC2)CC1	692114273	QFSVAHSQAWCADR-UHFFFAOYSA-N	223.276	-0.255	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@@H](C)C(=O)NN	692172590	HRFHSVYOELFXNR-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
O=C(OCCl)N1CC[C@H](O)[C@@H](CO)C1	692809946	UEYJVHXIVDPZMH-RQJHMYQMSA-N	223.656	-0.006	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@@H]1CCN(C)C1	693435763	HQPNGIVCQDIYCY-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CO[C@H]1CCC[C@H]1n1ccc(B(O)O)n1	694277869	USLSWUKCARVKCY-SFYZADRCSA-N	210.042	-0.697	50	10	BBGE	
CN1CCCC[C@H]1CCn1cc(B(O)O)cn1	694508614	MWMHHLRMWJTXTN-NSHDSACASA-N	237.112	-0.563	50	10	BBGE	
C[C@H](CN1CCCC[C@@H](CO)C1)C(=O)NN	696781135	UTIWQFGKWYZEMT-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CC[C@]1(C)NC(=O)N(CC(=O)N(C)N)C1=O	704705007	CYSYDFZBZTZUGW-VIFPVBQESA-N	228.252	-0.961	50	10	BBGE	
CN(CCOCCCl)[C@@H]1COC[C@@H]1O	709228298	ZBYXMHIIWIIAKN-BDAKNGLRSA-N	223.700	-0.067	50	10	BBGE	
C[C@H](c1cn(C)cn1)N(C)CCC(=O)NN	710166068	GLZVZQXRJBBUPH-MRVPVSSYSA-N	225.296	-0.207	50	10	BBGE	
NOCCS(=O)(=O)NCC(Cl)Cl	722274577	ZLBRPLHQQNKGFS-UHFFFAOYSA-N	237.108	-0.400	50	10	BBGE	
[O][S@@+]1(=O)CCC[C@@H]1C[N+]1=NCC(B(O)O)=C1	725706651	VXRLIANMZSFRCK-MRVPVSSYSA-N	245.089	-0.632	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)C1=CCCCO1	746222794	DOKYXZKTYKWZJA-UHFFFAOYSA-N	237.219	-0.740	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)[C@@H](O)C1CCC1	825421164	JOUUSTYKLGQFKX-VIFPVBQESA-N	241.291	-0.112	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12C[C@@H]1COC2(C)C	854155937	ZJQSJWNREOIKGT-GMSGAONNSA-N	212.249	-0.031	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCF	911501973	BWIKRCIAKXUUEC-BQBZGAKWSA-N	218.228	-0.082	50	10	BBGE	
CO[C@H]1COCC[C@@H]1CC(=O)NNC(C)=O	1136043435	CZNHWSKUNCOYKD-BDAKNGLRSA-N	230.264	-0.405	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnns1	1161422325	SQCNHGYDCXDTHJ-UHFFFAOYSA-N	211.210	-0.587	50	10	BBGE	
Cc1cc(=O)c(C(=O)NN(C)C(N)=O)cn1C	1558959975	QJPBONHSRGPUHF-UHFFFAOYSA-N	238.247	-0.651	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC(C)(C)C(N)=O	1625424366	SUZORCXOTDZRPQ-SREVYHEPSA-N	225.248	-0.190	50	10	BBGE	
Cn1nnc(Br)c1C=CB(O)O	1880541699	FIWSZRINTBKARF-UHFFFAOYSA-N	231.846	-0.397	50	10	BBGE	
NC[C@@H](CO)NC(=O)[C@H]1C[C@@H]1Br	1881353637	KRPMBDPVRYNELY-ZLUOBGJFSA-N	237.097	-0.794	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@H](O)C1	1882906044	DAFRFVZQZJDNOJ-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
O=C(O)C1(O)CN(C[C@@H]2C[C@H]2Cl)C1	1883551157	ILSAGLGEGCUOSB-NTSWFWBYSA-N	205.641	-0.255	50	10	BBGE	
O[C@H]1CCN(CCOCCCl)C[C@H]1O	1887705858	ZVSHUGITUNPCDX-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
CCC[C@@H](COC)C(=O)NNC(N)=S	1890269589	KSVCTRDXQJEULR-LURJTMIESA-N	219.310	-0.087	50	10	BBGE	
C[C@@H](NC(=O)C1CC(Cl)C1)[C@H](O)CO	1893474252	GTOBZMXCYQPYQP-LFHVAVFRSA-N	221.684	-0.138	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CC[C@H]1C	1899934598	HSFFKMSFCYFCHJ-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2C)sc1B(O)O	1899945386	HZHWQKKSEWVJRK-ZETCQYMHSA-N	239.105	-0.029	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)[C@H]1CCCCO1	1900390376	ILFIRJOPZMOSNK-HTQZYQBOSA-N	229.280	-0.560	50	10	BBGE	
CN(NC(=O)[C@@H]1N[C@H]2CC[C@H]1C2)S(C)(=O)=O	1901377958	VDPBOFNNDHTGGD-BIIVOSGPSA-N	247.320	-0.951	50	10	BBGE	
C[C@H](COc1cccn(C)c1=O)C(=O)NN	1901436364	OPOVRWVWLLRWOK-SSDOTTSWSA-N	225.248	-0.610	50	10	BBGE	
CC(C)=C(CN1CC[S@@](=O)C[C@H]1C)B(O)O	1901614464	ZLORXAARAGBOHM-JDNHERCYSA-N	245.153	-0.212	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)CN(C)CC(=O)NN	1901731759	ZPHLWHOLIOTGCF-JTQLQIEISA-N	231.340	-0.049	50	10	BBGE	
CC[C@@](C)(CSCCNCCN)C(=O)NN	1902715318	GGHZHHLIPRTGAA-JTQLQIEISA-N	248.396	-0.326	50	10	BBGE	
OB(O)c1cnc(SCCC2(O)CC2)nc1	1902769707	DXVXJIQXIPYMAJ-UHFFFAOYSA-N	240.093	-0.837	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@@H]2C[C@H]21	1902996531	IFZBXDBCWVIKMA-BIIVOSGPSA-N	227.264	-0.032	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]3C2)ncc1F	1903010835	UCBKMKYVWVBGBW-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
CC12COC(C(=O)NNCCO)(C1)C2	1904564014	TUGAYPVUNUINFE-UHFFFAOYSA-N	200.238	-0.831	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CCO1	1905585124	ZHIDZLQODMLPHQ-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)[C@@H]2[C@@H](CCN2CCCC(=O)NN)[C@H]1O	1907866047	IBBQLSUGJSLDBT-DVVUODLYSA-N	241.335	-0.152	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1C[C@H]1C1CC1	1910501357	PBGQXYQPFCHFAI-RNJXMRFFSA-N	241.052	-0.925	50	10	BBGE	
COc1cccc(C=CC(=O)NCB(O)O)c1	1911738807	ZTEUNMGCDSOYAP-UHFFFAOYSA-N	235.048	-0.163	50	10	BBGE	
COC[C@H](CCl)NS(=O)(=O)C1COC1	1923185365	RECVUGDPFKNBPK-LURJTMIESA-N	243.712	-0.442	50	10	BBGE	
COC[C@@H]1CN(C(=O)NN)C[C@H]1COC	1929909754	UQRJBUGZPPTPOV-YUMQZZPRSA-N	217.269	-0.590	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCCOCC1	1936509097	WFLMYXNYJGXRLA-QMMMGPOBSA-N	229.280	-0.701	50	10	BBGE	
CC[C@](C)(COCCOCC(=O)NN)OC	1936533006	JYCPINQENDEQNM-SNVBAGLBSA-N	234.296	-0.175	50	10	BBGE	
COC1(CCl)CN(C(=O)c2cnn(C)n2)C1	1940015936	UMGBYIPTJVHYJJ-UHFFFAOYSA-N	244.682	-0.105	50	10	BBGE	
CC(C)(CCN1C[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)NN	1943071068	RVCIPACTUUEXBW-MYJAWHEDSA-N	241.335	-0.437	50	10	BBGE	
CCON(CC)c1nc(B(O)O)cs1	1956964953	IRFVFMWTCTXZPD-UHFFFAOYSA-N	216.071	-0.399	50	10	BBGE	
O[C@@H]1CN(CCOCCCl)[C@@H]2COC[C@@H]12	1958131516	ADKCDJJVZLSPCX-OPRDCNLKSA-N	235.711	-0.067	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	1958422656	KELTXGGELAIKJA-YWIQKCBGSA-N	209.249	-0.767	50	10	BBGE	
NNC(=O)CN1CCCN(C2CC2)CC1	1961251453	QOKUPIHXNOQNEW-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
CC12CC(CN1c1nc(B(O)O)cs1)C2	1961718819	UKHXBSJDCMBQCQ-UHFFFAOYSA-N	224.094	-0.188	50	10	BBGE	
CC(C)OC1CN(CCOCC(=O)NN)C1	1976057019	BFIBCJXJXUJPIV-UHFFFAOYSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)CN1CCCC2(CCOCC2)C1	1981046664	UOEFSAMMPDPMMS-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[S@@]1=O	1981189910	YOPFAXFAFBCWFW-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]2CF)nc1	1981412553	WBAJLLYAJRDWJY-VIFPVBQESA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1csc(OC[C@@H]2CCCCO2)n1	1981422762	SXLJNIZVXGFMON-ZETCQYMHSA-N	243.093	-0.229	50	10	BBGE	
Cc1nc(N(C)C2(C)CC2)ncc1B(O)O	1981447171	JPPDIUZVLSXAKU-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C(C)(C)CO	1984129533	FMQUSEIXSNLSDV-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
CO[C@@H]1CCC[C@@H](CNC(=O)C(=O)NN)C1	1985919336	KZEYNAYKYYNJSR-HTQZYQBOSA-N	229.280	-0.702	50	10	BBGE	
C[C@H](CCC(=O)NN)OCCn1cncn1	1986447162	ZZJJEPUXCYPJKL-MRVPVSSYSA-N	227.268	-0.547	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCCCN1C	1986994807	LFQMMHIMWXBMQL-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C[S@@](=O)CC1(C)CN(CCCC(=O)NN)C1	1987036481	DZOIZGJKLFGCQA-MRXNPFEDSA-N	247.364	-0.543	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(F)(F)[C@@H]1C	1990773239	SVUXBRHOQOESHK-LURJTMIESA-N	235.234	-0.117	50	10	BBGE	
CC12CC(C(=O)NCC=CB(O)O)(CO1)C2	1991337566	NTZYOPSUHIBYDH-UHFFFAOYSA-N	225.053	-0.760	50	10	BBGE	
C=C(CN1CC[C@H](N(CC)CC)C1)B(O)O	1992160115	RWTSKBXYHLQERZ-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CCNC(=O)NCc1cc(C)c(B(O)O)s1	1993789168	LCOAOVKGZFLHDB-UHFFFAOYSA-N	242.109	-0.445	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@@H](CO)CCC1(C)C	1994868099	LITOYRXHZGDQJO-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CO[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)NN	1998883812	KPHGBDQMBWCIQB-HTQZYQBOSA-N	243.307	-0.314	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]2(CO)CCC[C@H]12	2000944540	PIRJCSJWOXBESJ-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CN1C[C@@]2(CCOC2)CC1=O)C(=O)NN	2003930225	HSBWZENJZHDPCG-LDYMZIIASA-N	241.291	-0.749	50	10	BBGE	
CN(C[C@@H]1CC1(C)C)c1ncncc1B(O)O	2004918596	NMOHMALIOUSENA-QMMMGPOBSA-N	235.096	-0.361	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)c1ccncc1B(O)O	2004934434	RNQPEGAPFITSMG-MNOVXSKESA-N	236.080	-0.625	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)c1ccncc1B(O)O	2004934435	RNQPEGAPFITSMG-QWRGUYRKSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CCCOC1	2004934998	KDHRFPBEBAQIHK-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
CCOC(=O)NCCc1ccccc1B(O)O	2014355513	FXYDNTHBUSXFLO-UHFFFAOYSA-N	237.064	-0.345	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2C[C@H]3C[C@H]3C2)O1	2018243257	QZMCBQAFPZKUDP-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
O=C(CN1CCCC1)N[C@@H]1CCC=C1B(O)O	2020055659	DCQDZIMDTLHLLT-SNVBAGLBSA-N	238.096	-0.701	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ncncc1B(O)O	2052467492	RKABDRPBKIECNE-GUBZILKMSA-N	247.107	-0.361	50	10	BBGE	
CC(C)N1CCN(c2ccncc2B(O)O)CC1	2052498890	KUPNKAZGABEZQU-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(B(O)O)c1F	2060130577	MQSNCMRFIXXWAX-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
N#Cc1cc(C=O)c(C(F)F)cc1B(O)O	2060231762	MGSVAFOQBSOWAD-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](O)C2)CCC1	2212263513	VVBUIKHEBGKRIZ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
OB(O)c1cccnc1NCC1CC(F)C1	2212601081	IKGJPYQIKDKPAR-UHFFFAOYSA-N	224.044	-0.079	50	10	BBGE	
C[C@H]1CSC[C@@H]1Nc1ncc(B(O)O)cn1	2212602290	BKLIUJJCQZJVIX-XPUUQOCRSA-N	239.109	-0.680	50	10	BBGE	
C#CCCCN=c1[nH]ccc(B(O)O)c1F	2212605773	JXPWCLFRCPGKMK-UHFFFAOYSA-N	222.028	-0.852	50	10	BBGE	
CC[C@H](N)CCOc1cc(B(O)O)ccn1	2212611462	BHCJTQSFNNLYOD-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
OB(O)c1cnc(NCC2[C@H]3CC[C@H]23)nc1	2212612085	HXNLKUPIPWEJLB-YUMQZZPRSA-N	219.053	-0.776	50	10	BBGE	
C#CCN(CCF)c1ccc(B(O)O)cn1	2212613597	XALAIUFOYQRPJL-UHFFFAOYSA-N	222.028	-0.830	50	10	BBGE	
OC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214592506	HBAAANDURZFDSW-GFCCVEGCSA-N	235.092	-0.677	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC1(CO)CC1	2215772109	LYWRYYDMULKISQ-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
CNCC[C@H](C)Nc1nccc(B(O)O)c1F	2217181413	PRDHHNQYBMQFDF-ZETCQYMHSA-N	241.075	-0.690	50	10	BBGE	
Cc1cnc(N2CCOC[C@@H]2C)cc1B(O)O	2217182728	GNVGPBMXAVQMKT-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@H]1CCN[C@H]1COc1ncccc1B(O)O	2217182831	CXITZUNHDCHKRQ-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N(C)CC[C@H](C)O)cc1B(O)O	2217183486	LRIJCXNZRCTVRY-VIFPVBQESA-N	238.096	-0.723	50	10	BBGE	
C[C@@H](N)C(C)(C)COc1cc(B(O)O)ccn1	2217187351	XAELHNUTTDUVAP-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
CCNC[C@@H](CC)Oc1cc(B(O)O)ccn1	2217195637	MARQCTFZNSBCLF-SNVBAGLBSA-N	238.096	-0.472	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2[nH]ncc12	2220470736	PXCCBAUSJCYRLS-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)C[C@H]1CN	2223634869	PQXPRKBUNFQXMV-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
Cc1n[nH]c(C)c1CNc1ccc(B(O)O)cn1	2223638245	JTOBQQYOPZZDST-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3COC[C@@H]32)cc1B(O)O	2223653065	NTJHNYBLPVLPIL-WCABBAIRSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2COC[C@@H]2C1	2223665185	DGFZACURTNEEGI-MYJAWHEDSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CN2CCC1CC2	2223665821	IQWFQNTZLWHMBM-LLVKDONJSA-N	247.107	-0.733	50	10	BBGE	
CCc1nc(CNc2ccc(B(O)O)cn2)n[nH]1	2223674445	LCLSCRWJNJDVHA-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243357139	RRAFGGIODLWZBF-SSDOTTSWSA-N	222.053	-0.824	50	10	BBGE	
C=COCCCNC(=O)C1CC(B(O)O)C1	2243392209	RZSCUHNPCQSEIT-UHFFFAOYSA-N	227.069	-0.094	50	10	BBGE	
O=C(NCCC1COC1)[C@H]1C[C@H](B(O)O)C1	2243396381	LNLNZIVQNDPUNA-KYZUINATSA-N	227.069	-0.608	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n[nH]1	2243396855	RRZGULQLWJELOQ-YUMQZZPRSA-N	223.041	-0.803	50	10	BBGE	
CC1(F)CN(C(=O)c2cscc2B(O)O)C1	2243409632	LZAMCQYGFAJWOT-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
O=C(NCC(F)(F)C(F)F)[C@@H]1C[C@@H]1B(O)O	2243427659	YRRCAIYNFGUFFG-DMTCNVIQSA-N	242.965	-0.134	50	10	BBGE	
Cc1nnccc1CN(C)CCC(=O)NN	2245393644	LZCSNBROIRDFJX-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
O=C([C@@H]1[C@H]2CCO[C@H]21)N1CCC(B(O)O)CC1	2246338152	OHBUTLCKNAWYEU-OPRDCNLKSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCC1OCCCO1)C1(B(O)O)CCC1	2247733753	PTXFSZALFOPQFQ-UHFFFAOYSA-N	243.068	-0.737	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H](F)C1	2247743613	GQLLJXYKTVRVRB-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cccc(F)c1B(O)O	2247751821	CNFGZYXBJRJOJO-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
CCN(OC)C(=O)c1ccc(B(O)O)cc1F	2247752566	RNBVYZJBCOMOSY-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247754495	FAHFLFNCNSNJTD-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
COC[C@@H]1C=CCCN1C(=O)C1(B(O)O)CC1	2247756421	LYRCPNXBYQXEST-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
COCCCCNC(=O)c1occc1B(O)O	2247757526	VZQNIUPSPFUZFS-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1B(O)O	2247761466	VLGHBYTZRLSDJD-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
CC[C@H](C)NC(=O)c1nccc(C)c1B(O)O	2247790951	IIRLINIDVLANQH-QMMMGPOBSA-N	236.080	-0.402	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2247799163	ADRIWVBKZMGSAV-ZYUZMQFOSA-N	238.096	-0.894	50	10	BBGE	
Cc1ccncc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247807123	PYNXNEVGABMIGB-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
CC[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCO1	2247810001	SYZMBODQHAGPNH-IQJOONFLSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2COC[C@H]21	2247810197	VOJFPOIPSMRQGL-QCLAVDOMSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC1(CCCO)CCC1)[C@@H]1C[C@@H]1B(O)O	2247810688	ZJBFKSUDBXCCSH-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
CC1(C)CC(NC(=O)c2ccc(B(O)O)o2)C1	2247849738	DUJMFQWZCSRXHS-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1CCNCC1(F)F)C1(B(O)O)CC1	2247853879	SZNNLJLDLRYHHY-LURJTMIESA-N	248.038	-0.893	50	10	BBGE	
C=C[C@@]1(C)COCCN1C(=O)C1(B(O)O)CC1	2247854703	HMCBHZNHIMYMGJ-JTQLQIEISA-N	239.080	-0.203	50	10	BBGE	
CCc1nn(C)cc1NC(=O)[C@H]1C[C@H]1B(O)O	2247860249	UHOPCTOZFVPVLX-NKWVEPMBSA-N	237.068	-0.216	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247899273	LYWAQHCJOLWDLW-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCOC1	2247899363	MWTKXECAIYLQIT-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247899448	NKHPEBZEVCEKLN-OCAPTIKFSA-N	237.068	-0.379	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CCC1	2248576362	FZTRITYASKVIBI-BQBZGAKWSA-N	241.052	-0.543	50	10	BBGE	
CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C(=O)O	2248578501	RPOXKIKTYSVKAU-DBRKOABJSA-N	241.052	-0.925	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1cocc1B(O)O	2249419841	LYMUGWIUBVKQCY-YFKPBYRVSA-N	244.990	-0.656	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(CCC2)C1	2249434177	WKQOHDHDHIYJDR-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2ccoc2B(O)O)C1	2255463803	NIRKGTWJWOGWCZ-DTWKUNHWSA-N	247.059	-0.509	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1CCNC2	2255465432	KNUDQRHBXHOJPD-UHFFFAOYSA-N	244.059	-0.714	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC=C[C@H]1C2	2255472934	IRPLJCMRYORFAY-WPRPVWTQSA-N	246.075	-0.515	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)cc1F	2255500049	GLTASRBYSOVVFF-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ncccc1B(O)O	2255520011	FCUYXQVTQPRBBJ-MRVPVSSYSA-N	247.063	-0.864	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255549289	WZVPTRLXQIWWKT-JIGDXULJSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CCC[C@@H]21	2255671411	QROCASUSBNVQGE-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
CC=C=CCCNC(=O)c1ccncc1B(O)O	2255724122	CMLJQAACESHKQL-UHFFFAOYSA-N	246.075	-0.388	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ccncc1B(O)O	2255729135	QGHNUEWRFBQFTM-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
C=CC=CCCNC(=O)c1ccncc1B(O)O	2255732510	WCFKHQFUUVYUIP-UHFFFAOYSA-N	246.075	-0.377	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1C[C@H]2C[C@H]2C1	2256013183	CMIDXBQSUAVSBS-OCAPTIKFSA-N	247.059	-0.836	50	10	BBGE	
C=CCCCN(C)C(=O)c1nccnc1B(O)O	2256057245	MCMPUOJKRVGWCG-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC=CCO1	2256640635	KELJDNQZNXXOBC-QMMMGPOBSA-N	248.047	-0.955	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258154845	LQMHXLDSIJXBAQ-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@@H]1[C@H](O)[C@H](O)C2	2297233211	FKPRSSMHZXVWCN-SZACMFPPSA-N	219.668	-0.290	50	10	BBGE	
C[C@H]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369081	IIUCIBXMDMLSHJ-DKIAZLNASA-N	241.096	-0.483	50	10	BBGE	
C[C@@]12CCC[C@@H]1C(=O)N2C(=O)[C@@H]1C[C@H]1B(O)O	2298370767	LHRHTOXNNWWPFB-KCGFPETGSA-N	237.064	-0.223	50	10	BBGE	
C[C@@H]1CC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371514	NFLLFDQRRRYNEX-TURQNECASA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C#N)N2CC[C@H]1C2	2303292646	RPLLUHVRZBQSAA-LPEHRKFASA-N	237.307	-0.963	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H](C)N	2303858750	PQDVEUGYUFZVND-MUWHJKNJSA-N	242.059	-0.595	50	10	BBGE	
CNCC(C)(C)Oc1ccc(B(O)O)cc1C#N	2317210321	AVKMMWGBBKBXBA-UHFFFAOYSA-N	248.091	-0.385	50	10	BBGE	
CCOCCOC[C@H]1CC[C@@H](C(=O)NN)O1	82463456	MGUVBXFULOSCGO-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOCC1	82466064	KDRYETAUYKUCGR-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COCCCN(C)[C@@H](C)[C@H](C)C(=O)NN	86313514	IRQNOMPMXALIHB-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
CO[C@@H]1N=CC=C[C@]1(Br)B(O)O	199617568	FRBXGPUPVOOSFB-NTSWFWBYSA-N	233.858	-0.255	50	10	BBGE	
OB(O)c1c(C(F)(F)F)ccnc1O	238614523	RRDSKCIVVBIIOE-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
COc1cccc(C[C@H](N)C(=O)N(C)N)c1	259181180	XFNUDUNLJSLMOO-JTQLQIEISA-N	223.276	-0.103	50	10	BBGE	
NNC(=O)CN1CCC(O)(C(F)(F)F)CC1	304528143	GINZRNAAGNEXTI-UHFFFAOYSA-N	241.213	-0.635	50	10	BBGE	
N[C@@H]1COC[C@H]1C(=O)NCC(Cl)Cl	307291502	BHRMRCQNJFOUSL-RFZPGFLSSA-N	227.091	-0.120	50	10	BBGE	
COCOCc1ccc(C#N)cc1B(O)O	309117645	JOBMZRHIZSGNRB-UHFFFAOYSA-N	221.021	-0.641	50	10	BBGE	
Nc1cc(B(O)O)cc([C@H]2CCCNC2)c1	309233328	ZASYMNFNKUARSA-QMMMGPOBSA-N	220.081	-0.584	50	10	BBGE	
CN(C)C1[C@H]2CN(CCCCC(=O)NN)C[C@H]12	384737796	KVOYMNJCBDEYJB-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
Cc1ccn(Cc2nc(C(=O)NN)co2)c(=O)n1	386808192	PHDVHTSZIHWCMN-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CN(C)CCO[C@@H]1CNNC(=O)[C@@H]1Cl	388683261	HUPOZHAWIPMTEB-RNFRBKRXSA-N	221.688	-0.825	50	10	BBGE	
C[C@H](Cl)c1n[nH]c(=NCc2nnnn2C)o1	389359131	NQMAGOZXPGREAC-BYPYZUCNSA-N	243.658	-0.073	50	10	BBGE	
O=C([C@H]1C[C@H](O)CN1)N1CCSSCC1	389716189	NZQUIJYFLPXHLT-JGVFFNPUSA-N	248.373	-0.067	50	10	BBGE	
NNc1ccc(C(F)(F)F)cc1B(O)O	396097247	MZNHYBNQTXUPBF-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
CN(CC(=O)NN)Cc1cncs1	400067940	SFXPLULJKIJUFR-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C2CC2)C1	400132166	SUCMUYGWLPQVPT-NXEZZACHSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)s1	405053965	KDXFUTJESMRJDI-PHDIDXHHSA-N	240.093	-0.193	50	10	BBGE	
NC(=S)NNC(=O)c1ccsn1	606276237	FFFLXEGYJBQPSG-UHFFFAOYSA-N	202.264	-0.379	50	10	BBGE	
NC(=S)NNC(=O)[C@]12CCC[C@@H]1OCC2	687414973	ZLSSGZCPHDBMLD-RCOVLWMOSA-N	229.305	-0.190	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H](C)C(=O)NN	688388692	UMWZPGZMDHORBJ-JGVFFNPUSA-N	203.286	-0.827	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1cc(C(=O)NN)no1	688395376	OKJXZXDVNZWMKM-SSDOTTSWSA-N	242.279	-0.662	50	10	BBGE	
O=C1CN([C@@H]2CO[C@H](C3CC3)C2)CC(=O)O1	691930799	ZZNROJBFSKKKME-IUCAKERBSA-N	225.244	-0.061	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1	692124690	OSSRFDFMKJYLLJ-VHSXEESVSA-N	237.303	-0.009	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@@H](C)O)C(C)C	692172563	HFZQCIDKALNOBP-RKDXNWHRSA-N	217.313	-0.154	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCCl)[C@H](O)CO	698873833	OYQRQWZKGGUXFO-RNFRBKRXSA-N	245.728	-0.724	50	10	BBGE	
NC(=O)NNC(=O)c1cnn(-c2ccccc2)n1	700847728	IOKCSGWQGAVETI-UHFFFAOYSA-N	246.230	-0.420	50	10	BBGE	
CNNC(=O)CCn1cnc([N+](=O)[O-])c1	704629975	DBKCTKIAPKZFSK-UHFFFAOYSA-N	213.197	-0.568	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)C[C@@H]1C	707347720	UOXKGEQUDRUGEI-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CNNC(=O)[C@@H](NC(N)=O)c1ccccc1	707580302	QRFUWYMIVGGOJF-QMMMGPOBSA-N	222.248	-0.353	50	10	BBGE	
CC(C)C1(O)CCN(CCC(=O)NN)CC1	710243271	NAIFKUXIGZBBDJ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)CCCl)C1	714438273	CUEVMYYDKYRBAX-UHFFFAOYSA-N	221.640	-0.638	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C(=O)C[C@@H](C)O1	829144558	CYKKWTXMLUOFKX-BDAKNGLRSA-N	243.307	-0.218	50	10	BBGE	
Cn1nncc1NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	857272868	JDJOJSHIOWMAHB-FTLITQJKSA-N	237.263	-0.317	50	10	BBGE	
Cc1cc(N2CC[C@@H](B(O)O)C2)ncn1	864232618	BSQNPYVEKXKRRV-MRVPVSSYSA-N	207.042	-0.162	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)c1cnsn1	894287994	NIAYKUIJOGZZOA-RXMQYKEDSA-N	244.276	-0.276	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)c1cn(C)nn1	1329352560	WAVDGTYBBBZTGF-LURJTMIESA-N	241.251	-0.999	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCOC1	1346908354	DCZRJNUGMOCARX-JGVFFNPUSA-N	243.263	-0.715	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCn1ncnn1	1545506492	ARBLLMAODIRYRJ-SOFGYWHQSA-N	236.235	-0.767	50	10	BBGE	
N#CCC(=O)NNC(=O)c1ncccn1	1557072411	CBTCJOMHYYXKKY-UHFFFAOYSA-N	205.177	-0.849	50	10	BBGE	
O=C(NNc1cccc(F)n1)[C@@]1(O)CCOC1	1634908985	LVWPVXVHMGNORA-SNVBAGLBSA-N	241.222	-0.185	50	10	BBGE	
CCNC(=O)CCC(=O)NNc1ccncn1	1641044792	HEBGJOLIQIAJCH-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
NNC(=O)CCO[C@H]1CCOC[C@@H]1F	1893527892	PHZINUDYHFPSRI-BQBZGAKWSA-N	206.217	-0.490	50	10	BBGE	
CCN1CCCN(CC(=O)NN)C1=O	1893771964	WXYJXOMFANZFOA-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894667859	YVRNUJZTSOEBLV-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
Cc1cc(N2CC[C@@H]3C[C@@H]32)ncc1B(O)O	1899253758	PYZTZEIGVIMJMZ-SCZZXKLOSA-N	218.065	-0.332	50	10	BBGE	
C=C(C)CONC(=O)c1cnsc1B(O)O	1900466226	CVRKXUTVKPLMBD-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1902520695	DCKCVSJRHCCWSS-RKDXNWHRSA-N	226.085	-0.987	50	10	BBGE	
CCn1cnc(CN2CC[C@H](B(O)O)C2)n1	1902550433	JVDTUKIFOVHEJI-QMMMGPOBSA-N	224.073	-0.653	50	10	BBGE	
C#C[C@H](CC)Oc1cc(B(O)O)c(F)cn1	1903019847	DAVXCHTXOYLILA-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H](C)[C@H]1C)C(=O)NN	1903280784	DJDSHFLQXCLHBN-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
CCc1cnn(CCO[C@@H](C)C(=O)NN)c1	1903721742	WOTBBECBNIUNRZ-QMMMGPOBSA-N	226.280	-0.160	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	1904703625	FUIMYMLHUFUZQZ-CIUDSAMLSA-N	228.101	-0.742	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	1905730384	UADFDOVYBRUCDW-HTRCEHHLSA-N	235.052	-0.859	50	10	BBGE	
Cc1nc(O[C@@H]2CCC[C@H]2F)ncc1B(O)O	1910212861	IPZOUFGLPZDFSZ-RKDXNWHRSA-N	240.043	-0.266	50	10	BBGE	
CN(Cc1cnc(C(=O)NN)s1)C1COC1	1915657308	JMYBSPUNLRIIQQ-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
CCN(C1COC1)[C@@H](C)CCC(=O)NN	1915657881	MTOLYJUIEODMMK-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)(CN1CC[C@@](F)(CO)C1)C(=O)NN	1917087980	RDBVYLRROOPRDW-JTQLQIEISA-N	233.287	-0.591	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1917583276	XLWUHXCXSBRWSE-DWOUCZDBSA-N	209.249	-0.022	50	10	BBGE	
COCC1CCC(N(C)C(=O)C(=O)NN)CC1	1918719734	UTHWJAAFYJZSAU-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
CCCN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1927914634	WMVFDDOJXVOAAB-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CCC[C@H]1Cl	1928695536	CVPOEBSJLNAYHJ-RNFRBKRXSA-N	229.671	-0.051	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COC[C@@H]1CCl	1928737385	DTOQIMKXVUDUOS-NKWVEPMBSA-N	231.687	-0.447	50	10	BBGE	
CN1C[C@H](NC(=O)CCCl)[C@H](O)C1	1928757124	AGRGMDOEKZADQS-NKWVEPMBSA-N	206.673	-0.594	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]1CO	1929740878	NHXKVSHOVMGYLQ-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)C(=O)N1CCC(Cl)=C(Cl)C1	1933033533	ZEXZJQZXEBGWJB-UHFFFAOYSA-N	238.074	-0.102	50	10	BBGE	
Cn1cnc([C@@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934427924	MWRITQVJEGAMCX-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
COCCCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093442	DVRXQLUBGYBLOL-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
Cc1ccnc(CNC(=O)C(=O)NN)c1C	1936349773	QPPSVLBVGDTAMQ-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H]1C(N)=O	1936582486	JBBFFIMJSOBGRD-QMMMGPOBSA-N	228.296	-0.904	50	10	BBGE	
COCCN(CCCl)C(=O)Cn1cnnc1	1937141844	YTALODFMJVGKHF-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
CC1(C)CCO[C@H]1Cn1ccc(B(O)O)n1	1939294339	GROBXKPYGASHFY-QMMMGPOBSA-N	224.069	-0.622	50	10	BBGE	
C[C@]1(CO)CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941085523	DJMHYEHNXRZHIT-SCVCMEIPSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941085664	DZVVNGQHHRJRLX-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(O)CCCC1	1941087280	MLNLONKOWBOBIC-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C[C@@H]1C[C@H]1C(=O)NN	1941088657	RTHKKKHZURFKFR-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
COCC[C@@H]1CN(CCCC(=O)NN)CCO1	1943669420	GLZQEAAJPCUNPX-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC1(C)[C@H](CO)CCN1CCOCC(=O)NN	1946257872	UJJCOTNEIREWEP-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccn(C[C@]23CCC[C@H]2CCO3)n1	1947437204	OYJSMAMFWAQZRY-GXSJLCMTSA-N	236.080	-0.478	50	10	BBGE	
O=C(NCC1CC1)N1CC[C@H](B(O)O)C1	1951320338	HAVAIIWJJUWWGU-QMMMGPOBSA-N	212.058	-0.345	50	10	BBGE	
C[S@@](=O)CC1CN(S(=O)(=O)CCl)C1	1953817944	NFIAPAKBJJCQOE-GFCCVEGCSA-N	245.753	-0.177	50	10	BBGE	
CC[C@H](COC)N(C)CCC(=O)NN	1954920268	LKYHBNVYEBGNPZ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CCCOC1CN(C[C@@H](C)C(=O)NN)C1	1958194840	AMBSUADMHCFQKF-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnco1	1959175852	AVFIGAXCSNRKGW-QMMMGPOBSA-N	212.253	-0.125	50	10	BBGE	
CN(C(=O)CCCCl)[C@@H]1CC(=O)NC1=O	1961463727	ZOPNXDNRRXFFCN-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
CC[C@@H]1CCN1c1ccc(B(O)O)cn1	1961691623	PKYXOANJLRJHNV-SECBINFHSA-N	206.054	-0.250	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961926984	PNMNUTKRNFGIJW-ODHVRURNSA-N	233.695	-0.042	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C[C@@H](Cl)C#N	1962289952	LXUDVMCHGCNCIO-YUMQZZPRSA-N	230.699	-0.863	50	10	BBGE	
CC1(CF)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1975033813	RSWQVJMHZIXGFG-YUMQZZPRSA-N	215.272	-0.096	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@H]32)nc1	1981413176	CEVBDLJNBXSKKD-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CCC(F)(F)C(=O)NN	1984130582	VFJOLLHKCONSLA-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3COCC[C@@H]32)n1	1989936840	TUYFZPHWMNHGPB-BQBZGAKWSA-N	240.093	-0.952	50	10	BBGE	
O=S(=O)(N[C@H]1CCC=C1B(O)O)C1CCC1	1991328173	DCDMESLCGIZQQL-VIFPVBQESA-N	245.109	-0.441	50	10	BBGE	
COCCNC(=O)N[C@@H]1CCC=C1B(O)O	1991329475	IYPVMRWQVHVUBP-MRVPVSSYSA-N	228.057	-0.967	50	10	BBGE	
NC(=O)C1(NC(=O)[C@@H]2C[C@@H]2Cl)CCNCC1	1991680610	RTIHVANJTSFVBN-RQJHMYQMSA-N	245.710	-0.663	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@H]2Cl)CCN1CCO	1991682631	LIJZTEQHLMCDMO-JGVFFNPUSA-N	246.694	-0.723	50	10	BBGE	
C[C@@]1(CCO)CCN1CC1(C(=O)NN)CC1	1994706726	IELTWSNVKYMTOB-JTQLQIEISA-N	227.308	-0.397	50	10	BBGE	
Cc1nccn1CCN(C)CCCC(=O)NN	1997479270	NQDHHUACTSXGLO-UHFFFAOYSA-N	239.323	-0.107	50	10	BBGE	
CC1(C)C[C@]1(C)C(=O)N[C@H](CB(O)O)C(=O)O	1998130159	GLKKSSGGFNKASA-LHLIQPBNSA-N	243.068	-0.535	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@H]1N(C)C(=O)C(=O)NN	1998885996	UHWWGCSQUSPZGM-DJLDLDEBSA-N	243.307	-0.362	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1C[C@H](C)C(=O)NN	2003814376	UYZVWKATDNHPIZ-IUCAKERBSA-N	242.323	-0.931	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1C[C@@H](C)C(=O)NN	2003814377	UYZVWKATDNHPIZ-RKDXNWHRSA-N	242.323	-0.931	50	10	BBGE	
COc1ccc(OCC2COC2)c(B(O)O)c1	2004039809	DUYFAKKRCTZVLR-UHFFFAOYSA-N	238.048	-0.600	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN1CCOC1=O	2004245281	HKVJICYQUYWCBC-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2CC2)[C@H](C#N)C1	2004433065	VMLSCCQNAJXPSS-PSASIEDQSA-N	237.307	-0.963	50	10	BBGE	
CN(C[C@@H]1CC1(C)C)c1ncc(B(O)O)cn1	2004911974	NHMKQDXCYQNHMA-QMMMGPOBSA-N	235.096	-0.361	50	10	BBGE	
C=C(C)CCn1cnc2c(B(O)O)ncnc21	2007063799	BFGRWXWQERSZFW-UHFFFAOYSA-N	232.052	-0.528	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1[C@H]2OCC[C@H]12	2007594392	FBVFKGZKPOYWHA-IGORNWKESA-N	237.255	-0.062	50	10	BBGE	
CO[C@H]1CC[C@@H](Oc2cncc(B(O)O)c2)C1	2013957231	HKFMLJMJSSSBMK-VHSXEESVSA-N	237.064	-0.292	50	10	BBGE	
COC[C@@H](C)CCOc1ncncc1B(O)O	2014224108	HLAHRQDWWTWPND-QMMMGPOBSA-N	240.068	-0.792	50	10	BBGE	
CN1C[C@@H](N(C)CCCC(=O)NN)CCC1=O	2014821368	PTWOTKOZBYRMKI-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CO[C@H]1CN(CC(=O)NNC(C)=O)CC1(C)C	2019207555	BYLVFDBGISZVCX-VIFPVBQESA-N	243.307	-0.490	50	10	BBGE	
C=C(CN(C)C[C@@H]1CO[C@H]2COC[C@H]12)B(O)O	2021158008	VLMZAGRLWKERQJ-MXWKQRLJSA-N	241.096	-0.852	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccccc1B(O)O	2022197238	ZVQLPJCJDZBYNS-SECBINFHSA-N	231.060	-0.328	50	10	BBGE	
C=C1CON(Cc2cc(B(O)O)ccc2OC)C1	2032261853	IWFVIMGJHYZSNT-UHFFFAOYSA-N	249.075	-0.322	50	10	BBGE	
Cc1cnc(N2CC[C@]3(CCO3)C2)c(B(O)O)c1	2052621845	MHEIOSNJBRALND-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
COc1ccc(Cl)c(B(O)O)c1C#N	2060105697	IOWZKMUVRKNXSK-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
O=Cc1c(Cl)cc([N+](=O)[O-])cc1B(O)O	2060136724	GGEAOOFGWKIOAP-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COc1ccc(OC)c(B(O)O)c1C#N	2060284386	DMIPNPLJOKBWRR-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
CN1CCC[C@H](OCc2ccc(B(O)O)cc2)C1	2077341240	YLUVSMJVOIRKFP-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)CCCS[C@H]1CCNC1	2209392050	SXTVYZYMUPUZOP-ZETCQYMHSA-N	203.311	-0.148	50	10	BBGE	
C[C@H](CCCl)NS(=O)(=O)N1CC(O)C1	2210088283	DKLHGHJRQUJBCY-ZCFIWIBFSA-N	242.728	-0.485	50	10	BBGE	
OB(O)c1csc(CN2O[C@H]3C=C[C@H]2C3)c1	2211077703	GMGBCIVIPXMBLG-IUCAKERBSA-N	237.089	-0.128	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1[C@@H]2COC[C@H]1C2	2211838312	FXPFGHLRNODLKQ-QEYWKRMJSA-N	225.292	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OC(F)(F)F)C1	2211915152	LDSCQINUPICXHH-ZCFIWIBFSA-N	241.213	-0.025	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H](O)[C@H]1CC2)C(=O)NN	2212096753	DSRIVTHPMHCTOC-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C=CC[C@H](CO)Nc1ccc(B(O)O)cn1	2212604884	TZJKTUVJXKTAFF-SECBINFHSA-N	222.053	-0.890	50	10	BBGE	
C[C@H]1CSC[C@H]1Nc1cc(B(O)O)ccn1	2212611024	SVBHJIBHWSYEHL-IONNQARKSA-N	238.121	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CCC12CC2	2214781678	YUJNLNYSTPOYAL-AEJSXWLSSA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]1(C)CC(=O)O	2216043433	MWYGMQJNCAGIQQ-JTQLQIEISA-N	243.263	-0.907	50	10	BBGE	
CN1CC(CN(C)CC2(C(=O)NN)CCC2)C1	2216534852	SHEKYHLJAPIYHX-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)C1(CN2CCOC2=O)CCOCC1	2216862596	DOUXFQOKGBWEAZ-UHFFFAOYSA-N	243.263	-0.775	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]2C2CCC2)nc1	2217171496	BHLYMIFGEAMVCO-UWVGGRQHSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H](COC(F)F)Nc1ccc(B(O)O)cn1	2217173021	OCZNWHBDOQIDOR-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
CCNCCN(CC)c1ccc(B(O)O)cn1	2217175029	CDKQEUFRIFREHX-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
OC[C@@H](CNc1cc(B(O)O)ccn1)C1CC1	2217175147	FFTNFYADJCNBAI-SECBINFHSA-N	236.080	-0.808	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCO1	2217177614	KXLODJLHVRTODU-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCCNC2)c1	2217180708	KDXQDJNMNTUXNG-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@H]2C[C@@H]2C)cc1B(O)O	2217181197	NTYWFXXEMZFSIT-WCBMZHEXSA-N	234.108	-0.050	50	10	BBGE	
COC[C@H]1CCCN1c1cc(B(O)O)ccn1	2217181443	PZOALTRHBKQYLZ-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
C[C@]1(COc2nccc(B(O)O)c2F)CCN1	2217193134	SAWRKIRFNLAUPN-SNVBAGLBSA-N	240.043	-0.969	50	10	BBGE	
CCCC1(O)CN(c2ncccc2B(O)O)C1	2217198689	FEAIEUNKOCKFAM-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H]2CCCN2)c1	2217199976	QAMIMTBNRVQEST-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
CC1(C)COC[C@H]1Nc1ncccc1B(O)O	2217202964	NUIAMPIARLIOIJ-SECBINFHSA-N	236.080	-0.402	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(n2ccnc2)C1	2221570500	BEDBYVCSROKQCW-MWLCHTKSSA-N	249.318	-0.244	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223634946	QKNUKFHGTUPPCL-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
C#CCC[C@H](O)CNc1cc(B(O)O)c(C)cn1	2223647177	UNAIIWHEVHADEB-JTQLQIEISA-N	248.091	-0.744	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCNC3(CC3)C2)c1	2223670478	YLSNKVBZOZLLCC-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
CC[C@H](Cl)C(=O)n1c(=O)cc(O)n(C)c1=O	2243059115	NRELNMQYXCMTFB-YFKPBYRVSA-N	246.650	-0.090	50	10	BBGE	
CN(C[C@@]1(C)CC1(F)F)C(=O)C#CB(O)O	2243349137	GUHDLTBLAOJIKI-MRVPVSSYSA-N	231.007	-0.495	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCCC[C@H]1C2	2243349965	SZYXPPYVYFBCMK-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)s2)C1	2243356484	IJZGQRBDJXYWJK-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
Cc1nc(C(=O)N[C@@H]2C[C@@H]2C)c(B(O)O)s1	2243359046	OAVQXOQZTWGKQP-UJURSFKZSA-N	240.093	-0.730	50	10	BBGE	
O=C(NOC1CCOCC1)C1(B(O)O)CC1	2243366023	WHTFHPAFRYHJSV-UHFFFAOYSA-N	229.041	-0.780	50	10	BBGE	
CN1CC(N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381892	KBHXRPXOOAYUIU-ZKCHVHJHSA-N	226.085	-0.988	50	10	BBGE	
O=C(N1CCOC(F)(F)C1)C1(B(O)O)CC1	2243411045	MWKJOABAPNQROP-UHFFFAOYSA-N	234.995	-0.555	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H]1C(C)C)B(O)O	2243413035	YGJDOSYCMVCLIY-RKDXNWHRSA-N	247.125	-0.482	50	10	BBGE	
CC[C@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414732	HGSLDLWUYSOPDV-KHQFGBGNSA-N	229.085	-0.483	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243415874	DNMPUBWROXWWGJ-UYXSQOIJSA-N	226.085	-0.765	50	10	BBGE	
O=C(NOCC1CC1)c1cocc1B(O)O	2244223606	XRJMOWQMYNIUMP-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
C=CC1CN(c2nccc(B(O)O)c2F)C1	2245453680	GRTYGADVHNWEIZ-UHFFFAOYSA-N	222.028	-0.477	50	10	BBGE	
O=C([C@H]1[C@H]2OCC[C@@H]21)N1CCC(B(O)O)CC1	2246338150	OHBUTLCKNAWYEU-BBBLOLIVSA-N	239.080	-0.513	50	10	BBGE	
CCC(C)(C)NC(=O)c1cnn(C)c1B(O)O	2247734530	HYOOCIWCUAILJX-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCCC[C@@H]1O	2247740875	QWFREGVWCQWFJL-UWVGGRQHSA-N	239.080	-0.941	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC2CCC1CC2	2247742314	NCJNDDHBLJQTLY-VQXHTEKXSA-N	235.092	-0.056	50	10	BBGE	
CCO[C@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2247742497	PLTSONNLDFFHQF-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
CC(C)c1c[nH]nc1CNC(=O)C#CB(O)O	2247748042	WWFSQZVAPGNUNC-UHFFFAOYSA-N	235.052	-0.835	50	10	BBGE	
O=C(N1CCO[C@H](CF)C1)C1(B(O)O)CCC1	2247750935	QALXYEFDPACYSL-MRVPVSSYSA-N	245.059	-0.420	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)C1(B(O)O)CC1	2247755324	PIJDOXADURCBAV-KDXUFGMBSA-N	239.080	-0.731	50	10	BBGE	
NCC[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755879	LMDRYHHYRVVNQL-SECBINFHSA-N	240.112	-0.419	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247768888	AKIPBALACIXTRU-CBAPKCEASA-N	234.064	-0.710	50	10	BBGE	
O=C(NC[C@H]1OCC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247787454	PIFDVPWDGFELGU-UYXSQOIJSA-N	245.059	-0.517	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790023	FDGDHRULOLANTF-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247796513	AFPVXZXUFSVISF-RGOKHQFPSA-N	240.112	-0.375	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)C1CC(B(O)O)C1	2247796711	CAPQSBLCSNSXLR-UHFFFAOYSA-N	237.068	-0.379	50	10	BBGE	
CC1(C)C[C@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247796835	DFMDPBGAXACIBS-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2COC[C@@H]21	2247797183	GWMPMNZKEDVXAO-WOOKNIGNSA-N	239.080	-0.513	50	10	BBGE	
CO[C@](C)(CNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247807911	SCXWCQYPFXKNQY-IQJOONFLSA-N	241.096	-0.219	50	10	BBGE	
C=CC1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247808083	JWMCTZTZBYLLQO-IUCAKERBSA-N	239.080	-0.611	50	10	BBGE	
CCN(CCC(=O)OC)C(=O)C1(B(O)O)CC1	2247853692	QCSCOIOGJNTFEC-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1CCNCC1	2247854367	BLSIPXDICZXQHW-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CC1(C)CCNCCN1C(=O)C1(B(O)O)CC1	2247872780	YIBCMDXGJIUKCQ-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247878980	QWDFBTWLKZPUBP-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247899799	QDHUVXIOEKVXEF-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCNCCC1	2247902002	BPPMQPGYIBKUAH-AOOOYVTPSA-N	240.112	-0.549	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248573421	DRUMIJPJQRQSHE-OSMVPFSASA-N	243.068	-0.535	50	10	BBGE	
CC(C)(C)[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248589558	RFXWESNIMILRHS-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2C=CCOC2)n1	2249273782	FANDBKVNNQODOV-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2249623998	CPBRKKIUFNEFIB-SPFKKGSWSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCN1	2249946051	QCZYLTYRJVAAMG-XKNYDFJKSA-N	240.112	-0.504	50	10	BBGE	
CCC1(Oc2ncnc(C)c2B(O)O)COC1	2250788257	DSAYMWDCWLQPIJ-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H](C#N)C1	2255444355	KJVQUGKWOVKTEY-MRVPVSSYSA-N	248.047	-0.747	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1coc(B(O)O)c1	2255444688	OELNDKBPWQHCAQ-VIFPVBQESA-N	249.075	-0.121	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@]23CCC[C@@]2(COC3)C1	2255476334	JZGWHRLBCXIELC-RYUDHWBXSA-N	249.075	-0.969	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1ncccc1B(O)O	2255517480	WENXJKMOBGDCAI-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255519976	DRIKKGYMPWGLRW-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)C1CC(B(O)O)C1	2255579470	RUMIZDFBWFZZEE-DJEKSMPCSA-N	247.103	-0.134	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c1B(O)O	2255580577	FDSMOULTRBZFBV-MBTKJCJQSA-N	246.075	-0.792	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1c[nH]nc1B(O)O	2255582518	HOVIQJZFZJTSFY-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
C=C1CON(C(=O)c2c(C)cccc2B(O)O)C1	2255733983	TYRCGQRYTQAPMM-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1cocc1B(O)O	2258122299	ANZJMAPBTMAVPO-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2298368518	JSSULXRPFFIAJU-YIZRAAEISA-N	240.112	-0.552	50	10	BBGE	
CC(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1=O	2298370626	FGLGVPJSYLROMH-IWSPIJDZSA-N	239.080	-0.120	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@@]2(CO)C1	2298371048	WYUNAAXAUWIIPE-SJQPAMGKSA-N	239.080	-0.920	50	10	BBGE	
C[C@@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CCC1	2298650564	PABHKTCRNMNEQG-WCABBAIRSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2CCN2C)n1	2298953515	TWKMYUOIXDFHBW-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1CC(=O)NNC(C)=O	2299872812	KZUIKOLFVXCDJP-MWLCHTKSSA-N	243.307	-0.611	50	10	BBGE	
Cc1nn(CCC[C@@H]2C[C@H]2C(=O)NN)c(=O)o1	2300369289	HQAAWUHOGWNOML-HTQZYQBOSA-N	240.263	-0.449	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H]1CO	2301345039	AUTMWMYFUHGNKB-KWQFWETISA-N	232.048	-0.969	50	10	BBGE	
C[C@H]1CC2CC(C(=O)NCC=CB(O)O)(C2)O1	2303047097	ARHTUFATLQCZHZ-SILCLGDVSA-N	239.080	-0.372	50	10	BBGE	
C[C@H](CCO)N(C)c1ccc(B(O)O)cc1C#N	2317150875	KOIXZBRMXVPPQC-SECBINFHSA-N	248.091	-0.555	50	10	BBGE	
C=CC[C@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2321008077	GKHMTIVIELGTTK-GXSJLCMTSA-N	248.091	-0.236	50	10	BBGE	
C=CCN(CC=C)C(=O)CCC(=O)NN	58838371	QDDFULCJPRYTRM-UHFFFAOYSA-N	211.265	-0.043	50	10	BBGE	
CCCOc1cccn(CC(=O)NN)c1=O	71501412	NNAFAOQEVYBDES-UHFFFAOYSA-N	225.248	-0.373	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1CO	82470376	QEQKZYXKVCSCKG-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CN(CCO)Cc1ccc(C(=O)NN)cn1	87224066	VYQOHYWGLFYJCD-UHFFFAOYSA-N	224.264	-0.891	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@@H](O)C2)o1	110593747	JECQTRBONXAKEK-MRVPVSSYSA-N	239.275	-0.160	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CCCO	124935956	UWEHPPQKLMZFOP-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	127928330	QTSWENMGJSORIN-LPEHRKFASA-N	228.340	-0.221	50	10	BBGE	
CN(/C=C(/C#N)C(=O)N1CCOCC1)CCO	217100188	YCAXGOXLKFDAIX-KTKRTIGZSA-N	239.275	-0.823	50	10	BBGE	
OB(O)c1cc(-c2ncccn2)cs1	306245182	YQYFPQDBVYWHDY-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN)CCS1	306740919	UHSAGBWPDPWLOK-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
OB(O)c1cccc(OCCN2C[C@@H]3C[C@H]3C2)c1	380352600	QHIRPBVGSQDPCN-QWRGUYRKSA-N	247.103	-0.303	50	10	BBGE	
OC[C@@H]1CSCCN1C[C@@H](O)CCl	388003087	GJERZJBNUPUUOT-SFYZADRCSA-N	225.741	-0.004	50	10	BBGE	
O=c1nc(CCN=c2[nH]nc(CCl)o2)[nH]o1	392175173	SQNSZCMHOXKNDK-UHFFFAOYSA-N	245.626	-0.439	50	10	BBGE	
O=C(CCl)Cc1cc(F)ccc1B(O)O	396069047	LKVSIIRMUZUHFL-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C[C@@H](C)C1	401691935	GTZAGCVEWPEJAO-KATARQTJSA-N	229.324	-0.296	50	10	BBGE	
CCCNC(=O)NCc1cccc(B(O)O)c1	405053907	AGSRZVAXWUGCRC-UHFFFAOYSA-N	236.080	-0.424	50	10	BBGE	
CC(C)COC(=O)Nc1ccnc(B(O)O)c1	405163136	IQENYTNITJTMTA-UHFFFAOYSA-N	238.052	-0.034	50	10	BBGE	
CN1CCN(C(=O)NN)CCC1(C)C	606274825	OVDHLRYKBXHJDH-UHFFFAOYSA-N	200.286	-0.014	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)[C@H](C)C(=O)NN	688148145	DHPXYTUUCKIWQR-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H](F)C2)c1	689817057	KXTBXNFPHWRSCY-LLVKDONJSA-N	223.056	-0.090	50	10	BBGE	
N#CC1(O)CCN([C@@H]2CCOC2=O)CC1	692125228	ZQVAPERKDYVZIT-MRVPVSSYSA-N	210.233	-0.348	50	10	BBGE	
CC1(C)[C@H](O)[C@H]2CCCN(CC(=O)NN)[C@H]21	693092169	QQFUWWZJGBXWIQ-FXBDTBDDSA-N	227.308	-0.542	50	10	BBGE	
CCO[C@@H]1CCN(Cc2ccc(B(O)O)cc2)C1	701671006	ZRBFJSDVTTZASB-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC	704666958	DSHOULATAOOLGZ-PHDIDXHHSA-N	202.258	-0.680	50	10	BBGE	
CN(C)C[C@@H](N)C(=O)NCC(Cl)Cl	705373613	YDBRDIDEDBXOFR-RXMQYKEDSA-N	228.123	-0.205	50	10	BBGE	
C[C@@H]1CN(CCC(C)(C)C(=O)NN)C[C@H]1CO	708095620	VTBKTJIUIMMYKP-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
C#C[C@@]1(O)CCN(C(=O)NC(=O)CCCl)C1	708101953	HVTJOCSQMZYHQE-SNVBAGLBSA-N	244.678	-0.079	50	10	BBGE	
CN([C@H]1COC[C@H]1O)S(=O)(=O)CCl	709314883	CUUQOJHTRXHFPW-NTSWFWBYSA-N	229.685	-0.796	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2Cl)nn1	710870747	RHBNMJBVALERLY-POYBYMJQSA-N	244.682	-0.059	50	10	BBGE	
NNC(=O)c1ncc(CN2CCNCC2)s1	711158178	SCELDVVDOZIBFY-UHFFFAOYSA-N	241.320	-0.848	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2OCC[C@H]2C1	724822113	LIZCHFYCZHKNNE-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
N#CC1(O)CCN(C2=NCCCN2)CC1	821981159	SBEUMZRSUJNYBC-UHFFFAOYSA-N	208.265	-0.314	50	10	BBGE	
CNC(=O)CC(=O)NNC(=S)NC(C)(C)C	899996486	VRAUDIIMNDEONU-UHFFFAOYSA-N	246.336	-0.584	50	10	BBGE	
CCC/C=C\[C@H](O)C(=O)NNC(=O)NC	900353477	VWHOGFKNODWHAX-RBSILHGTSA-N	215.253	-0.336	50	10	BBGE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NNC(=O)N(C)C	906450167	HQCFEAYIOSKQPJ-BWZBUEFSSA-N	229.280	-0.040	50	10	BBGE	
O=C1CCN2NC[C@@H](Br)[C@@H]2N1	953101894	PABADPNXPSHXHT-INEUFUBQSA-N	220.070	-0.584	50	10	BBGE	
CC[C@@H](F)C(=O)NNC(=O)[C@H]1COCCO1	1126607923	ATDYSKUJDOIMDW-RNFRBKRXSA-N	234.227	-0.703	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cnnc(C)c1	1329333016	AUGHURPXJAPECT-UHFFFAOYSA-N	239.304	-0.134	50	10	BBGE	
O=C(/C=C\c1cnccn1)N1CC[C@@H](B(O)O)C1	1351729451	OEAACOVLADSCQB-JKERVTFKSA-N	247.063	-0.435	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnn[nH]1)n1ccnc1	1628421583	MCLPZMKNKHILOY-LURJTMIESA-N	249.234	-0.977	50	10	BBGE	
O=C(NNc1ccncn1)c1cnncc1O	1641048462	PSWPRXIZPMFZSB-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
C[C@@H](O)C(=O)NCCSS(C)(=O)=O	1643369628	HMFHACNEJGQDKB-RXMQYKEDSA-N	227.307	-0.824	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@@H](O)C2)nc1O	1650670144	NOLNEUWYFYYAGV-OLQVQODUSA-N	239.235	-0.900	50	10	BBGE	
C=C(C)CONC(=O)NNC(=O)c1ncon1	1686940152	XXJHNIKVGZULLI-UHFFFAOYSA-N	241.207	-0.479	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1877395148	XSYRLSGSQAZFEB-FNCVBFRFSA-N	204.701	-0.122	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1(C(N)=O)CC1	1881967612	INOYTRKKNIOWQI-RXMQYKEDSA-N	204.657	-0.005	50	10	BBGE	
O[C@@H]1CNCCN(C[C@H]2C[C@@H]2Cl)C1	1883552626	NOLZRAWCIGICII-HLTSFMKQSA-N	204.701	-0.120	50	10	BBGE	
NC[C@@H]1C[C@@H]1NC(=O)/C=C/C(=O)Cl	1883647381	LQBKKDLSDVHMGF-ZELZYMQXSA-N	202.641	-0.229	50	10	BBGE	
NCC=CCNC(=O)/C=C/C(=O)Cl	1883648407	ZVXRHTGFDOBJKC-JJNOFAKTSA-N	202.641	-0.061	50	10	BBGE	
C[C@H](CCCl)C(=O)N=c1nnn(C)[nH]1	1885932652	PBBYSFFNNVPCBK-RXMQYKEDSA-N	217.660	-0.165	50	10	BBGE	
CC(=O)NN(C)S(=O)(=O)C1CCC1	1888572535	WOVZICNKEOBKRE-UHFFFAOYSA-N	206.267	-0.148	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCSC1	1892080802	KVEZRLLVSISUJZ-RQJHMYQMSA-N	201.295	-0.381	50	10	BBGE	
COCCN=C(NN)NC[C@@H]1C[C@@H]1Cl	1893089497	USNYCXLOASXDME-BQBZGAKWSA-N	220.704	-0.331	50	10	BBGE	
C[C@@H](O)[C@@H](N)CNC(=O)C1CC(Cl)C1	1893482691	YGKCAWPUGNPCOZ-CQRKAFIDSA-N	220.700	-0.172	50	10	BBGE	
C[C@](O)(CO)CNC(=O)/C=C/C(=O)Cl	1893498169	PUTWQHJRXZFEPR-UFUPEUMYSA-N	221.640	-0.833	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2C[C@]2(O)C1	1895056825	AEHZADSBGGGFMN-CKEKPRIKSA-N	227.308	-0.542	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C(C(N)=O)[C@@H]2C1	1900616356	MBOITVMQXIXKNV-RRKCRQDMSA-N	213.668	-0.220	50	10	BBGE	
CC=C(C)C(=O)Nc1ccc(B(O)O)cn1	1901530598	LOUQCATZOZFENB-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1902510436	CAPLEUUTIKSSGS-DJLDLDEBSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](C#N)OCCN1CC[C@](C)(B(O)O)C1	1902513023	OXLLGFLWCZXDER-UWVGGRQHSA-N	226.085	-0.146	50	10	BBGE	
CC(C)(C)OCC(=O)N1CC[C@H](B(O)O)C1	1902523089	WUUUJDXQVQWXFQ-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
CS[C@H]1C[C@@H](Oc2ncncc2B(O)O)C1	1905388769	JAFSGCNDQBWPKG-KNVOCYPGSA-N	240.093	-0.571	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	1910103085	BDZFRPVOVWNUAD-QXFUBDJGSA-N	239.080	-0.514	50	10	BBGE	
Cc1ncn(C[C@H](C)C(=O)NN)c(=O)c1C	1912237288	HWKBVRUPRMRPOK-LURJTMIESA-N	224.264	-0.514	50	10	BBGE	
NNC(=O)CN1C[C@@H](CO)C2(CCC2)C1	1914022625	PNZFKVKKQPMDRP-QMMMGPOBSA-N	213.281	-0.929	50	10	BBGE	
NNC(=O)CCCCCN(CCO)C1COC1	1915538463	FBRVWQIOWCVXBL-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COC1(CC(=O)NNC(N)=S)CC1	1928833333	WOIAJGIXJBWMES-UHFFFAOYSA-N	203.267	-0.580	50	10	BBGE	
C[C@H](Cl)C(=O)NCCn1cnnn1	1928857780	REDCLQXEPKILLM-YFKPBYRVSA-N	203.633	-0.583	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H]1CO	1929740912	NRRXEHTUQBBMDX-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCc1ccccn1)NNCCO	1929837345	YZFUHYAJRPUNDF-UHFFFAOYSA-N	209.249	-0.373	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)[C@H](C)C(=O)NN	1929907287	DEDVVZLQGMQXBH-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@@H]2CO	1935287010	SVAWLSOXSJXUSI-HLTSFMKQSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1CNC(=O)C(=O)NN	1935970400	PEOQQHZNGZKURM-LURQLKTLSA-N	225.292	-0.225	50	10	BBGE	
CCN1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1936094358	MMPIUSLYPLTFJI-NXEZZACHSA-N	226.324	-0.750	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CC(F)(F)C(=O)NN	1940888243	REDJARDYZZNUIA-OCAPTIKFSA-N	248.277	-0.610	50	10	BBGE	
Cc1nn(Cc2cccnn2)c(C)c1B(O)O	1941976249	GBNXFHRLNYXKRO-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@@H]1COCCCO1	1948416977	MDBVQYCBMMROGO-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1949698203	YAKKDNJWKHPQCR-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@@H]2CN)CC1	1951191318	HKITTZMAMMWRTE-NXEZZACHSA-N	237.303	-0.152	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@]12CC[C@H]1C2	1951285160	SJOKHZQWIQCRIC-CPCISQLKSA-N	232.048	-0.500	50	10	BBGE	
C[S@](=O)C1CN(S(=O)(=O)CCCl)C1	1954058446	YDGJKOJZYAXDAS-LBPRGKRZSA-N	245.753	-0.382	50	10	BBGE	
CC1(C(N)=O)CN(C[C@H](O)CCl)C1	1954821672	CCFUNFDAHGJUAN-ZCFIWIBFSA-N	206.673	-0.607	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)CC(=O)N1C	1956260029	DJAPBNGJWBQLFA-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
NNC(=O)N1CCS[C@@H]2COCC[C@@H]21	1956782315	PZBMTXXVBINMFT-NKWVEPMBSA-N	217.294	-0.224	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@H]2[C@H]1C2(F)F	1958122878	QLHGLRCTLVYYKQ-WISUUJSJSA-N	219.191	-0.023	50	10	BBGE	
C[C@H]1CC[C@@H](CCNC(=O)C(=O)NN)O1	1958886018	XNWQFEITXLLAJB-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
CN(C)C[C@@H]1C[C@@H](O)CN1C[C@H](O)CCl	1960160447	XSBUNNNPQNWTBY-IVZWLZJFSA-N	236.743	-0.417	50	10	BBGE	
CSCCN(C)c1ccncc1B(O)O	1961697646	XXCBRFTWZLBWBH-UHFFFAOYSA-N	226.110	-0.439	50	10	BBGE	
Cc1ncnc(N2CCCC2)c1B(O)O	1961706098	ODDNLRYNFVRUTM-UHFFFAOYSA-N	207.042	-0.935	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)CCO1	1961718097	KAQJLLFGRKNWKF-LURJTMIESA-N	228.082	-0.952	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1962322155	LMXAQPKEVFDEHW-MAUMQABQSA-N	213.281	-0.811	50	10	BBGE	
CN(C[C@H]1CCc2nncn2C1)C(=O)NN	1976568869	YNGMHDDZSULVDH-SSDOTTSWSA-N	224.268	-0.644	50	10	BBGE	
CC1(C)C[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1976993262	YZCPNRLYKZVDRF-NTSWFWBYSA-N	229.041	-0.925	50	10	BBGE	
CCS(=O)(=O)COc1cccc(B(O)O)c1	1978302763	HNTRYAHFIACGKL-UHFFFAOYSA-N	244.077	-0.863	50	10	BBGE	
Cc1ccnc(N2CC[C@@H](C)C2)c1B(O)O	1981413233	DDILHMZQKGXLFN-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cncnc1	1984241956	VUJNPKSWIMXXJY-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)C(=O)NN)CCO1	1985954860	KTXZXXOQQSMFBD-SFYZADRCSA-N	229.280	-0.704	50	10	BBGE	
C[C@@H](CO[C@H](C)C(=O)NN)N1CCOCC1	1987275029	VDCXCAYRJOZRFF-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CN1CC[C@](C)(CN2CC(=O)OC(=O)C2)C1	1990139026	RJJRHIRJINGKPF-NSHDSACASA-N	226.276	-0.286	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1(C)COC1	1990775224	SSZJMEZOCDGKPP-UHFFFAOYSA-N	229.280	-0.878	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992324142	VNIVDZKNWWYJAX-HRDYMLBCSA-N	227.308	-0.136	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C[C@@H](C)C(=O)NN	1995336635	FVWKHLDRXBAILB-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
COCC[C@@H](COC)N(C)[C@H](C)CC(=O)NN	2001426673	LLRHRKUQSULUIX-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cc(C)no1	2004004913	RGAIZWNLFYKWGR-VIFPVBQESA-N	242.279	-0.580	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CCC[C@H]2C1=O	2004108584	FJDZYQBDHGBLLB-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
CCN(CC(C)(C)C(=O)NN)[C@@H]1CCNC1=O	2004315262	XSYHAQBOZGTEBX-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CCOCCN1c1ccncc1B(O)O	2004912437	SYVJYBKYIZDUHK-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ccnc(O[C@H]2CCCOC2)c1B(O)O	2004928751	GBUORGMARYHCEA-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3C[C@H]3C2)c1B(O)O	2004974534	LOQKMJPGKVUIIR-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)CC(F)(F)C(=O)NN	2006199318	QXBVIXGSAQIQMV-RNLVFQAGSA-N	249.261	-0.564	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccc(O)cc1=O	2008866072	GQRFATFMEAEFAE-UHFFFAOYSA-N	247.201	-0.431	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CC(CO)C2)C1	2013608039	GWHONWVBPPIKDF-RKDXNWHRSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC[C@H]2O)CC1	2014134597	USTLCTUEFYXATQ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@@H]2CC[C@H]21)C(=O)NN	2015990209	LVHRLSJMQNREQZ-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@](C)(COC)OC	2021119097	FZSBWDIHEWSSHW-ONGXEEELSA-N	247.339	-0.262	50	10	BBGE	
C#CCN(CCO)CC(=O)NNc1ccccn1	2036722991	YDQNJOFRZIWBEZ-UHFFFAOYSA-N	248.286	-0.548	50	10	BBGE	
CC(C)(C)c1ncn(-c2ncccc2B(O)O)n1	2052596007	BCTATGLSLBXCKJ-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)c2cccnc2)n1	2052624244	QJMXUCFTAFMMNU-UHFFFAOYSA-N	244.063	-0.372	50	10	BBGE	
O=c1c(F)cncn1C[C@H](O)CCl	2209383923	AIODSLCEVVGTCG-RXMQYKEDSA-N	206.604	-0.018	50	10	BBGE	
CCON(C)C[C@H]1CC[C@H]1C(=O)NN	2209907512	WGANMKOYFPSSEG-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
CN(C)NC(=O)NCc1n[nH]cc1C(=O)O	2211004512	VRZHDXJCFJRALM-UHFFFAOYSA-N	227.224	-0.616	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CCC12CC2	2211245577	PDNVFLNLEIOSAY-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@]1(F)CCOC1	2212152138	JINFDWUDLUSUMR-WPRPVWTQSA-N	233.287	-0.185	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC12CN(C)C2	2212307368	BLZZEDDDAKVFRO-VIFPVBQESA-N	226.324	-0.609	50	10	BBGE	
CCOCCCOc1cc(B(O)O)ccn1	2212606758	ZNECLLDYJQRQHU-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
OB(O)c1cnc(NCc2ccsn2)nc1	2212610152	DCTYEZYPXRYEEQ-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC12CN(C)C2	2216606939	MWTGSBQVHLLGQR-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1c1ncccc1B(O)O	2217178131	RWYFRURROOALGS-BDAKNGLRSA-N	235.096	-0.923	50	10	BBGE	
C[C@H](CCO)N(C)c1nccc(B(O)O)c1F	2217181792	VEECFCCQUKKXOJ-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
NCC[C@H](Oc1ncccc1B(O)O)C1CC1	2217183162	GMWGBWGCRMJYBK-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
NC[C@@H]1CC[C@H]1Oc1nccc(B(O)O)c1F	2217189704	IBWCCDWEPYJEIO-POYBYMJQSA-N	240.043	-0.983	50	10	BBGE	
CC(C)NC[C@H](C)Oc1ccc(B(O)O)cn1	2217192166	WNHRIJSPRVOJPO-VIFPVBQESA-N	238.096	-0.473	50	10	BBGE	
N#CC[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2217201872	SGJUASYBUCYIRR-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)Cc1cccc(B(O)O)c1	2220064091	NGJLTMGUQBQNLL-ZWNOBZJWSA-N	249.119	-0.431	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H](O)C1CC1	2220074198	TZGUJBJTSAFEMZ-ZDUSSCGKSA-N	249.119	-0.431	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2c[nH]nc12	2222879432	CENLXWUOIBMFCF-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
C[C@@H]1CN(C)CCN(c2cc(B(O)O)ccn2)C1	2223631942	CSTDNJKLRYHZOT-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
CO[C@H]1C=CCN(c2cc(B(O)O)c(C)cn2)C1	2223651494	XJRREBWZDNGPMU-JTQLQIEISA-N	248.091	-0.539	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC[C@H]2CCCN2)c1	2223671087	HKNSCNNZNFECNW-LLVKDONJSA-N	249.123	-0.873	50	10	BBGE	
OB(O)c1ccnc(NCCN2C[C@@H]3C[C@H]3C2)c1	2223675334	VNKYJYLJRKSXRU-UWVGGRQHSA-N	247.107	-0.875	50	10	BBGE	
O=C(NNCCO)NC1CCSCC1	2241352251	SJOKGBFLPQFWND-UHFFFAOYSA-N	219.310	-0.322	50	10	BBGE	
C=C(CS(=O)(=O)NCC=CC)B(O)O	2241481616	UOMRERGAUHXXMH-UHFFFAOYSA-N	219.071	-0.950	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)CBr)C[C@H]1O	2241860219	VHBKEHJUANVMQR-BFHQHQDPSA-N	238.081	-0.354	50	10	BBGE	
C[C@H](O)CN(CC(=O)NN)C(C)(C)C	2242093109	HEDQBJNMPLNVET-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@]2(O)C[C@@H]2C1	2242833833	OPRJKEDDBQBLFF-TURQNECASA-N	225.292	-0.931	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)C1(B(O)O)CC1	2243366196	YNMRPCMOCWRBHH-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)cs1	2243385124	CSVUSQLXBOZWEL-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
CO[C@H](C)CCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243391199	HSFRVHDTNCOMGT-VGMNWLOBSA-N	229.085	-0.267	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)O	2243396156	IIVLXDAWILBICV-JECWYVHBSA-N	229.085	-0.485	50	10	BBGE	
C[C@@H](c1cscn1)N(C)C(=O)C#CB(O)O	2243399664	OPRRVJFXIGLRFT-ZETCQYMHSA-N	238.077	-0.322	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2243401132	MPQRRHCGKCOBJB-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H]1CC1(C)C)B(O)O	2243413089	ZLDASNILPCFZON-QMMMGPOBSA-N	247.125	-0.385	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCOC1	2243413215	BMDHJWHKMROUNV-SFVIPPHHSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)co2)[C@@H]1C	2244205491	KAFHRADBUNZBPO-GJVVYLMISA-N	223.037	-0.656	50	10	BBGE	
N#CC1(O)CCN([C@@H]2[C@@H]3CNC[C@H]2C3)CC1	2244320252	SKIQGZYSNGUXJI-URLYPYJESA-N	221.304	-0.055	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCN1	2244508668	ZUMWLOWYXAYKNL-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
Cc1occc1C(=O)NCCC#CB(O)O	2244555688	QRQONZWLQOCJMB-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
OB(O)c1cc(N2CC=CCN2)ncc1Cl	2245912728	GCTAVEDERTUUSR-UHFFFAOYSA-N	239.471	-0.704	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@]2(O)C[C@@H]2C1	2246743287	MUSYPSPFYNTGGP-VXNVDRBHSA-N	249.261	-0.542	50	10	BBGE	
CC1CN(C(=O)Nc2ccccc2B(O)O)C1	2246766041	YJRUJMAHQBDRDQ-UHFFFAOYSA-N	234.064	-0.150	50	10	BBGE	
CCOC(=O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2247732208	DCJNFAHPFFXOGE-ZETCQYMHSA-N	243.068	-0.549	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCCC[C@H]1O	2247740876	QWFREGVWCQWFJL-VHSXEESVSA-N	239.080	-0.941	50	10	BBGE	
CC(C)OCCNC(=O)c1ccoc1B(O)O	2247743815	JSPAUMXSIANERV-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(B(O)O)o1	2247747836	SZUVQWFQFBEAGE-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
NC[C@]12CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750624	MCIISOCWRGQAAV-WPRPVWTQSA-N	238.096	-0.809	50	10	BBGE	
Cc1nc[nH]c1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797129	GJQYRVLYJRMJQS-SFYZADRCSA-N	237.068	-0.760	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797279	IAKWYRDOHNRRSC-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@H]1O	2247798583	VPTUSJCGIWTTEL-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@@H]1COC2	2247799901	JJFSKDNGRZFOLF-RGOKHQFPSA-N	239.080	-0.371	50	10	BBGE	
CN[C@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807202	QEICDQRHNJYGNM-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
N#CCCN(CC(F)(F)F)C(=O)C#CB(O)O	2247851121	VZOFHRNEIGTJJL-UHFFFAOYSA-N	247.969	-0.694	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247854514	DMMVVDDEKHSFTR-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COCC[C@H]21	2247855305	QFLMZCDNMHXKAA-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC1CC=CC1)c1cncc(B(O)O)c1	2247868114	COONBMHANBGQLE-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
Cc1ccc(C(=O)N2CC(F)C2)c(B(O)O)c1	2247872962	BKBPNAQUWFCFHI-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)cn1C	2247875641	ZUFGHANQZSULOU-QMMMGPOBSA-N	236.080	-0.649	50	10	BBGE	
CCCN(CC)CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247894714	KANKTAZWXWULPM-ZJUUUORDSA-N	242.128	-0.303	50	10	BBGE	
O=C(Nc1ccc(F)c(F)c1B(O)O)C1CC1	2248116252	LQOMREVVZYEMGG-UHFFFAOYSA-N	241.002	-0.007	50	10	BBGE	
O=C(O)c1cnc(NC(=O)[C@@H]2C[C@@H]2B(O)O)o1	2248592802	GOUKUXSHVHUACP-DMTCNVIQSA-N	239.980	-0.826	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1cc(B(O)O)co1	2249416563	UBWDQRDANYGAAV-VIFPVBQESA-N	235.048	-0.250	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCC(F)(F)C1	2250002634	NMQIELAODCQHGI-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)C1(B(O)O)CC1	2253332924	FQBOWVCGKSFNAF-ZCFIWIBFSA-N	248.038	-0.812	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1cncc(B(O)O)c1	2255523822	UNNOFSOXRQSKJM-WCBMZHEXSA-N	248.091	-0.511	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1c[nH]nc1B(O)O	2255551562	ZIAIDMJPQCTMAU-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255578269	FNMFAZLLIAOYHH-VIFPVBQESA-N	247.059	-0.591	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CCC[C@@H]21	2255717965	RTPXGLKERQJBOY-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC2(CC2)C1	2255722987	WJUVCBSCEBFUGV-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2cccn2)C1)[C@H]1C[C@@H]1B(O)O	2255768551	IEEVWEXXRFUGMO-XKNYDFJKSA-N	249.079	-0.434	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)co1	2258128802	RIGPQZUNIOEKEI-APPZFPTMSA-N	248.047	-0.619	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@]2(O)C[C@H]2C1	2298256229	MJHYASQBTCFVKD-FYLLDIAZSA-N	239.319	-0.541	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2CCO[C@@H]2C1	2298369622	ADAXXWYANJSKSC-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@@H]1[C@H]2CO	2298374762	LPZXVJWBQNIWEY-GRDBIXFFSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCO[C@@H]2C1	2298375211	ADAXXWYANJSKSC-UTINFBMNSA-N	239.080	-0.513	50	10	BBGE	
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463678	TVFSTJGENDBMOD-PRJMDXOYSA-N	243.068	-0.678	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]1C[C@@H]2O	2300193543	GQTYHOLNYQDANU-CSMHCCOUSA-N	249.261	-0.543	50	10	BBGE	
NC/C=C/CNc1ccc(C=O)c(B(O)O)c1	2301453283	TWAOBUUUJUSYRK-OWOJBTEDSA-N	234.064	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](F)C2=O)O1	2301875947	HUROVVBQTGNRQN-FXQIFTODSA-N	245.254	-0.906	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1	2303103067	CGZCORHKTFUHMP-UYAYMFIHSA-N	239.080	-0.656	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@]2(CO)C1)C(=O)NN	2303429222	PZHMEDGBMDSFKF-ZMLRMANQSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303848973	FSHVZRMUMDUABY-MUWHJKNJSA-N	242.059	-0.595	50	10	BBGE	
NCC1(COc2cc(B(O)O)c(F)cn2)CC1	2303859096	SMYULJRZZNMZMD-UHFFFAOYSA-N	240.043	-0.982	50	10	BBGE	
Cc1cnc(N[C@H]2CCN[C@@H]3C[C@H]23)cc1B(O)O	2312612349	RXVKYZWNEAUPES-DVVUODLYSA-N	247.107	-0.768	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)CO1	2317348292	LRIUZBKVHPZXEZ-GZMMTYOYSA-N	249.075	-0.232	50	10	BBGE	
CC[C@H](C)NC=C(C#N)C(=O)NCC(=O)O	2318468115	JTEIFZDFAJYXJH-ZETCQYMHSA-N	225.248	-0.017	50	10	BBGE	
CCOCCC(=O)NNC(=O)/C=C/C(=O)O	14663177	ORPCQLULEPUUNO-ONEGZZNKSA-N	230.220	-0.799	50	10	BBGE	
NNC(=O)C(=O)NCc1ccccc1Cl	36948056	SMQQCKZCUZKNMX-UHFFFAOYSA-N	227.651	-0.054	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)CNC1=O	71292139	KNEJBDDFRBVBCE-UHFFFAOYSA-N	228.252	-0.912	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCC2=O)O1	82468368	ZDLBXYRKVXDPDM-JGVFFNPUSA-N	227.264	-0.854	50	10	BBGE	
O=C1CC[C@H](NC(=O)CBr)CN1	82515391	SSKDBAJWIWKECQ-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCO)C1CC1	86313652	CNZPFGSELWDALE-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CN(C)NC(=O)Nc1cnn(CC(=O)O)c1	149079488	OILPWHGYVZWICX-UHFFFAOYSA-N	227.224	-0.434	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@H](N)C1)c1ccccc1	203473043	QNXCVHBUNCUJNH-NWDGAFQWSA-N	248.330	-0.207	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CNC(=O)C1	229239808	HFRCNCMXZQLLAJ-CRCLSJGQSA-N	233.655	-0.672	50	10	BBGE	
CC(C)[C@H](NC(=O)NC(=O)[C@@H](C)Cl)C(N)=O	231058810	RTTZTYFVOXXOAC-RITPCOANSA-N	249.698	-0.051	50	10	BBGE	
CCN(CC(N)=O)C(=O)NC(=O)[C@H](C)Cl	231826157	HCZHLHZXYQRRFW-YFKPBYRVSA-N	235.671	-0.343	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](C)C(=O)NC	234053748	DUEKFHZBUORPPZ-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
NC(=O)[C@H]1CCN(C(=O)CBr)C1	236196702	WDFUDQQCCZTHRZ-YFKPBYRVSA-N	235.081	-0.285	50	10	BBGE	
NC(=O)N/N=C/CC(=O)CCC(=O)O	238599005	FPTJQKOAAYRJOE-RUDMXATFSA-N	201.182	-0.536	50	10	BBGE	
N#Cc1cc(Br)ncc1B(O)O	238631423	QSAFHAOFFJELNE-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1c[nH]c(=O)[nH]1	306584851	GSUICJPDVJDSHD-BYPYZUCNSA-N	203.629	-0.054	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@](O)(C(N)=O)C1	306616673	PBAITIQPKNJIEG-HTRCEHHLSA-N	217.656	-0.961	50	10	BBGE	
OB(O)c1cc(F)c(Br)cc1O	307179670	MDQMTOIMLNCUHS-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CN(C(CO)CO)S(=O)(=O)CCCCl	308488548	PJJVBBGDBYEIOI-UHFFFAOYSA-N	245.728	-0.770	50	10	BBGE	
CSCC[C@@H](N)C(=O)NNC(=O)C1CC1	308853677	SDSAPMBJGYWBSR-SSDOTTSWSA-N	231.321	-0.376	50	10	BBGE	
CCOCC(=O)NN=Cc1cnn(C)c1N	378862987	UQXFRCPHEFZTDJ-UHFFFAOYSA-N	225.252	-0.511	50	10	BBGE	
COC(C)(C)COC[C@@H]1CC[C@H](C(=O)NN)O1	379279280	BXUGMBCMEGVABN-DTWKUNHWSA-N	246.307	-0.035	50	10	BBGE	
COC(=O)[C@@H]1CN(C(=O)CCl)[C@H]2CCN1C2	383364881	BATYMCRAZYPISI-YUMQZZPRSA-N	246.694	-0.317	50	10	BBGE	
CN1CCO[C@H](CSCCCC(=O)NN)C1	400778686	OIYGKQBJQRRYPV-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCCOC1	401617807	OIYJXJPAOXCOKW-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(=O)NN)C1CCSCC1	403772143	KIOAGLHQGXTAMJ-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
O=C(C[C@H]1CCCO1)Nc1ccc(B(O)O)cc1	404979820	HHHKMLUSZWECQN-LLVKDONJSA-N	249.075	-0.126	50	10	BBGE	
CCCCNC(=O)Nc1cccc(B(O)O)n1	405126342	ZEWXMWXAUIKOKY-UHFFFAOYSA-N	237.068	-0.317	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)[C@H]1CCCO1	493503364	XTJHEMYXUYTLQG-WVXIBAHESA-N	228.248	-0.137	50	10	BBGE	
CCN1C(=O)CN(CCCCC(=O)NN)C1=O	688955420	LVZANRCRAAQOOS-UHFFFAOYSA-N	242.279	-0.569	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2)O1	689824430	CTHZZTDMBZRIKM-VGMNWLOBSA-N	231.271	-0.432	50	10	BBGE	
CN(C[C@@H]1CCC(C)(C)O1)C(=O)C(=O)NN	691938306	TXOLPPKTVKJWPW-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](CN(C)CC1CN(C)C1)C(=O)NN	692717719	FZSOXZFPGKWWQY-QMMMGPOBSA-N	214.313	-0.894	50	10	BBGE	
CN(CCCS(C)(=O)=O)C[C@@H](O)CCl	694160337	OUAQADUKFIMFQC-QMMMGPOBSA-N	243.756	-0.047	50	10	BBGE	
CN1CC[C@@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	710095420	RHHCMWSYUHWDJX-VGMNWLOBSA-N	224.260	-0.393	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COCC[C@H]1Cl	710994874	LNAZNNZWKOGORT-PHDIDXHHSA-N	217.660	-0.560	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H](C)C(N)=O	711159799	BIXCYSNVFRWKPG-JGVFFNPUSA-N	230.312	-0.803	50	10	BBGE	
Cc1nnc(Cc2cccc(B(O)O)c2)o1	716783452	DGFYQFFYFRVMHS-UHFFFAOYSA-N	218.021	-0.351	50	10	BBGE	
OB(O)c1ccc(OCC[C@@H]2CO2)cc1	718544963	UOLVBCVICXDUIL-SNVBAGLBSA-N	208.022	-0.466	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1CCN(C)C2)C(=O)NN	718901980	WKEIKPABIKLWMB-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)c1cn(C)nn1	855186474	WRAMXEHEWHAPDK-SSDOTTSWSA-N	241.251	-0.999	50	10	BBGE	
COCCCC=NNC(=O)[C@@H]1CCC(=O)N1	863152942	JHPDXAHWYVBXAZ-QMMMGPOBSA-N	227.264	-0.206	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NC1CC1	900383473	UBIZJWGDMOBLFY-TYWZFMJISA-N	213.237	-0.584	50	10	BBGE	
O=S1(=O)CCc2nnc(CCl)n2CC1	958531432	LDQUUEMWQBKANS-UHFFFAOYSA-N	235.696	-0.012	50	10	BBGE	
CCO/C=C(\C#N)C(=O)Nc1n[nH]cc1C(N)=O	1180980302	UKYZOVOXQXPMDD-AATRIKPKSA-N	249.230	-0.109	50	10	BBGE	
C#CCNC(=O)NNC(=O)c1ncccn1	1563665202	AFOWEDLNBGPTGX-UHFFFAOYSA-N	219.204	-0.946	50	10	BBGE	
O=C[C@@H](O)C(=O)Nc1nnc(CCl)s1	1866089656	XJYGBOWSFXCAHM-GSVOUGTGSA-N	235.652	-0.225	50	10	BBGE	
NC[C@@H](O)CCC(=O)NC1CC(Cl)C1	1884410122	OJSUZZZECPFRKM-RRQHEKLDSA-N	220.700	-0.028	50	10	BBGE	
NNC(=O)N1CCCC[C@@H]1CC(N)=O	1886137383	JJFKPMLMPGWRKR-ZCFIWIBFSA-N	200.242	-0.700	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@H]1C=CCOC1	1888055200	RLTLMICKKDEZLV-JGVFFNPUSA-N	200.238	-0.274	50	10	BBGE	
O=C(NNCCO)[C@]12C[C@H](CCO1)C2	1892828759	LBWQILZMPOYRIJ-OTSSQURYSA-N	200.238	-0.831	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCO[C@@H]2C[C@@H]21	1895684357	TUUWRURJHYXUNC-NKWVEPMBSA-N	235.234	-0.525	50	10	BBGE	
C[C@@H]1C[C@]2(CCN(C(=O)C(=O)NN)C2)CO1	1899554934	PCRQUINNSVMMES-XCBNKYQSSA-N	227.264	-0.996	50	10	BBGE	
O=S(=O)(CCCl)NCc1nnc(O)o1	1900433987	JFZLKJBILIKWBD-UHFFFAOYSA-N	241.656	-0.567	50	10	BBGE	
O=Cc1ccc(N2CC(F)C2)cc1B(O)O	1901242723	OPKKIAZBUMDXSK-UHFFFAOYSA-N	223.012	-0.663	50	10	BBGE	
CN[C@@H](C)C(=O)NN(C)S(=O)(=O)C1CCC1	1901342996	UBRBZSCVOXMJHO-ZETCQYMHSA-N	249.336	-0.560	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCC[C@H]1N)S(C)(=O)=O	1901373415	KMEHUTUODWLJLN-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](CO)C1	1901756077	CHGASMRIXXCKJB-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	1902406356	WFTALJYCLFTPAI-MRVPVSSYSA-N	218.021	-0.724	50	10	BBGE	
O=C1NCC[C@H]1CCN1CC[C@@H](B(O)O)C1	1902533872	FFXDMAJCWIQBIN-DTWKUNHWSA-N	226.085	-0.939	50	10	BBGE	
CC1=CCN(c2cc(B(O)O)c(F)cn2)C1	1903009525	GDPGEKBJJIIRBM-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
O=C(NC1(C(=O)O)CCNCC1)[C@H]1C[C@@H]1Cl	1904966287	NVTYPPBGIRFOFR-BQBZGAKWSA-N	246.694	-0.063	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@H]1NC(=O)NN	1905553367	SCMJKORPAOPVTL-RITPCOANSA-N	221.282	-0.875	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CN(C)CC[C@@H]21	1906983093	PRKZHCRCTSRAJS-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C[C@@H]1C[C@H]1F	1908989511	ZNLGPUVJECBIAG-AXTSPUMRSA-N	245.298	-0.186	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1910790481	KIHKPOOLWLWEEF-ONGXEEELSA-N	235.092	-0.180	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CSC1	1913619855	XIABCDYYKIHNNC-UHFFFAOYSA-N	238.077	-0.937	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@@H]1CCNC1=O	1916201603	FSBHXMYHAZIOLW-RNFRBKRXSA-N	201.657	-0.062	50	10	BBGE	
NNC(=O)COCCOC[C@H]1CCOC1	1928178938	KOXMFZUSTIAWHP-QMMMGPOBSA-N	218.253	-0.954	50	10	BBGE	
C[C@]1([C@@H]2CCS(=O)(=O)C2)CC(=O)OC1=O	1928388364	PCGAWIJCUCCEFQ-HZGVNTEJSA-N	232.257	-0.099	50	10	BBGE	
CN(C)C(=O)CSCC1(C(=O)NN)CC1	1931268830	LIOZXVMZKIRHFP-UHFFFAOYSA-N	231.321	-0.422	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1COC[C@H]1Cl	1935549484	QWHPZGPMHJDHCL-KDXUFGMBSA-N	249.694	-0.087	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)[C@H](F)C1	1936025288	AJNMPPASNWCYNW-PHDIDXHHSA-N	241.213	-0.984	50	10	BBGE	
C[C@@H]1SCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936090133	GQPCJGDOXRPFAL-BIIVOSGPSA-N	243.332	-0.424	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936090634	JATHIVKCHJUCML-RGOKHQFPSA-N	227.308	-0.421	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1936110351	DXHZRXURPMHEDA-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
COC[C@H](C)CN(C)CCOCC(=O)NN	1936535818	POIKJGJKBCZQQK-SECBINFHSA-N	233.312	-0.793	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]2(CCCO2)C1	1937990222	ZKLPHOXYBKXBFV-SNVBAGLBSA-N	227.264	-0.852	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC[C@]2(C1)CC2(F)F	1939488524	JFLCZLVJKVGDJY-XPUUQOCRSA-N	233.023	-0.060	50	10	BBGE	
COCc1nc(CN2CC(=O)OC(=O)C2)no1	1941828342	JMAAJKSXRBZLOV-UHFFFAOYSA-N	241.203	-0.899	50	10	BBGE	
CN1CCC[C@@H](N(C)CC2(C(=O)NN)CC2)C1	1945882258	DYBMEJSFKJGGAE-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
COC1(C(=O)N2CCC(B(O)O)CC2)CC1	1951321904	LXANENOCMNEBQK-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)Cc1ccc(O)c(O)c1	1952838063	GFMJMKFYMRFWFG-OIBJUYFYSA-N	208.217	-0.148	50	10	BBGE	
CS(=O)(=O)CC[C@@H](N)C(=O)CCl	1953456265	SQJVRMSGMURXCV-RXMQYKEDSA-N	213.686	-0.444	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2F	1957875571	QGODRENBHYIMIT-XZBKPIIZSA-N	215.228	-0.771	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	1958422653	KELTXGGELAIKJA-XAMCCFCMSA-N	209.249	-0.767	50	10	BBGE	
Cc1nc([C@H]2CCN2CC(=O)NN)no1	1958700391	BAPKXVDKLLQHOI-ZCFIWIBFSA-N	211.225	-0.885	50	10	BBGE	
OB(O)c1cnn(C[C@H]2[C@H]3CCC[C@H]32)c1	1960595024	MYZSCOGQBNMEEM-ILWJIGKKSA-N	206.054	-0.391	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	1960963081	FPFODDGVBIIJIB-VGMNWLOBSA-N	212.297	-0.857	50	10	BBGE	
COC1(CC(=O)NCB(O)O)CCCC1	1961050352	AOJWHXDMCRZBAK-UHFFFAOYSA-N	215.058	-0.536	50	10	BBGE	
NNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21	1961458931	WGXZSOTWCBBXET-RQJHMYQMSA-N	212.253	-0.687	50	10	BBGE	
CCN(CC(F)F)c1nc(B(O)O)cs1	1961719189	ZLCCKNAOZKXKAW-UHFFFAOYSA-N	236.052	-0.086	50	10	BBGE	
O=C1CC2(CN1)CN(C(=O)CCl)C2	1967909232	BBSGRKTVJMCCAH-UHFFFAOYSA-N	202.641	-0.426	50	10	BBGE	
O=C(CN1CCCC1)N1CC[C@H](B(O)O)C1	1972413296	MJPOOEQYPHYWCQ-VIFPVBQESA-N	226.085	-0.843	50	10	BBGE	
Cc1nc([C@H]2CCN2[C@@H](C)C(=O)NN)no1	1976769317	YXXMDKSNBJTHLM-CAHLUQPWSA-N	225.252	-0.497	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CC(C)(C)C(=O)NN	1979616399	QHCAJMSQIHEXRI-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC1COC1	1980867312	UTHVNASVMOZNMG-UHFFFAOYSA-N	222.049	-0.300	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@H]21	1981414392	RBISWCYEGUHGNM-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2C[C@H]2C)c(B(O)O)c1	1981529028	AFZTVWULRHIOLY-PSASIEDQSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](Cn1cccc(B(O)O)c1=O)C1CC1	1984101497	LTMCECBYLMJOOF-MRVPVSSYSA-N	221.065	-0.426	50	10	BBGE	
CC(C)[C@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	1985954859	KTXZXXOQQSMFBD-JGVFFNPUSA-N	229.280	-0.704	50	10	BBGE	
C[C@@H](OC1CC(n2cncn2)C1)C(=O)NN	1986221013	HYHSEZQUZATBQL-JECWYVHBSA-N	225.252	-0.623	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(C[C@@H](C)C(=O)NN)C1	1988722771	HHLICWBBNTVPLR-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CO)C12CCC2	1988759592	ASPFOVRPRSZVQI-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC(C)(O)[C@H]1CCN1CC1(C(=O)NN)CC1	1989116061	CCODRWWTTDLOKH-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
NC[C@]1(CO)COCCN1C(=O)[C@@H]1C[C@H]1Cl	1991674337	CUVCCKFDHATKFE-MRTMQBJTSA-N	248.710	-0.838	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O	1991679669	LYOSXMKJOLEUKZ-AFNXEJLXSA-N	245.706	-0.186	50	10	BBGE	
CC1(C)C[C@H]1COc1ncncc1B(O)O	1992225643	POWNZAFSNCZMQG-ZETCQYMHSA-N	222.053	-0.419	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1ccc(C(=O)NN)cn1	1996573382	ASHITFWJMQVTMA-SSDOTTSWSA-N	234.259	-0.194	50	10	BBGE	
Cc1ccc(NC(=O)N2CCC2)cc1B(O)O	1998341285	ZYPYYPJLHJCSDW-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN([C@@H](C)CCC(=O)NN)C1	2000968036	RIVFWEIWXLLVDI-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CC(C)c1ccn(-c2ncc(B(O)O)cn2)n1	2004991086	NHXYXJWMKKNCSM-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3C[C@@H]32)c(F)c1	2005015798	FUGOZBCUKAYUTK-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CCOCC(=O)NN	2008785434	MKUZNFUBUVKRTE-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)C1(CO)CC1	2012616244	RFXAVNJOWMYRQO-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2CCC=C2B(O)O)cn1	2020056265	JGLQGMFGTLIJNG-SECBINFHSA-N	235.052	-0.749	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	2020058515	ZGMXLHFFTPUSAO-PRJMDXOYSA-N	245.034	-0.038	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1COCC1(F)F	2020351294	KTIYEXOZLWEPKE-ZETCQYMHSA-N	249.261	-0.278	50	10	BBGE	
Cc1ncnc(N2[C@H]3CCC[C@@H]2C3)c1B(O)O	2021410193	XQUTZNWSXMSOKM-DTORHVGOSA-N	233.080	-0.404	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@@]2(CO)C1	2021654897	LMYCPHNRHOXPFL-PWSUYJOCSA-N	241.335	-0.149	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1ccncc1B(O)O)C2	2026850130	VUFSROMAWCOLPL-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc(C2CC2)cc1=O	2028052294	PIBDQCBPRJVECH-IUCAKERBSA-N	248.286	-0.253	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1[C@H]2CCC[C@H]12	2040767587	UJVRGMHOMGMOBR-YUMQZZPRSA-N	247.063	-0.859	50	10	BBGE	
CN(C)C[C@H]1CCN1Cc1ccc(B(O)O)cc1	2042727364	WLFWVEBQSTVTNZ-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1cccnc1N1CCN(C2CC2)CC1	2052491905	OLEKBYQCORFWCM-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
CN(C1CC1)C1CN(c2ccncc2B(O)O)C1	2052831488	ITTIQEWOMWTUMK-UHFFFAOYSA-N	247.107	-0.956	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(B(O)O)c1Cl	2060014057	DZFUAOMXAQCLLB-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCOc1c(OC)cc(F)cc1B(O)O	2060116756	IHDWSRVZTRILCM-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
COc1cc(B(O)O)cc(OC(F)F)c1C=O	2060324452	CRRNDQDCQGZWRR-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@H]2CCC[C@H]21	2068484528	RUPJVPRCRJFFQQ-FBIMIBRVSA-N	247.107	-0.219	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCCc2nccn21	2076081044	FOXWZBDBFPDXBQ-SECBINFHSA-N	249.079	-0.555	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H](O)C[C@@H](F)C1	2210691402	FQJOIMNHYKJMRH-FNCVBFRFSA-N	233.287	-0.594	50	10	BBGE	
OB(O)c1cscc1COC[C@H]1CCOC1	2211137140	BIGJMGFKUOKANM-QMMMGPOBSA-N	242.105	-0.019	50	10	BBGE	
C#CC(C)(C)Oc1cc(B(O)O)c(C)cn1	2212605794	KFYDDEOUFKDETH-UHFFFAOYSA-N	219.049	-0.140	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)CN1C	2216200426	UTASVMIYUVXZOI-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@@H](O)CC2)c1	2217174096	WDFJRFPFBTXBEL-AOOOYVTPSA-N	236.080	-0.523	50	10	BBGE	
CC[C@H](C)[C@H](O)CNc1ccc(B(O)O)cn1	2217196478	GGDGZQHWPUVJCY-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1NCc1ccccn1	2217204711	NTJCBVWOTYMPAJ-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CNCC23CCC3)nc1	2223645732	BOTDMKFZANJRFW-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
C[C@]12CNC[C@]1(COc1ccc(B(O)O)cn1)C2	2223657594	CRQIELBRAQTZNC-RYUDHWBXSA-N	248.091	-0.860	50	10	BBGE	
Cc1oncc1CCN=c1ccc(B(O)O)c[nH]1	2223675074	SVGGKOUWDLMFNW-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1c1cc(B(O)O)ccn1	2223675784	UCBUAXIIGYQHIS-ONGXEEELSA-N	249.123	-0.710	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C#CB(O)O)CS1	2241468608	RAWZOAWRBIZXDK-RQJHMYQMSA-N	213.067	-0.988	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CCC(=O)NN	2242162032	DAGDNAZAPCJWTG-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
COc1ccc(B(O)O)c(OC(C)(C)C)n1	2243086669	RQOMRDFTXZSMMC-UHFFFAOYSA-N	225.053	-0.053	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC(F)(F)C1	2243362594	TYBJARXUHMXIDM-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243362615	UFHAOFRECVUOJX-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CC(C)C1	2243377874	ILGABJWFTVQVLA-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
CN(CC(C)(C)N)C(=O)C1CC(B(O)O)C1	2243391411	KJLPRDMDFXWGJP-UHFFFAOYSA-N	228.101	-0.565	50	10	BBGE	
O=C(NC1(CCCO)CC1)[C@H]1C[C@@H]1B(O)O	2243391789	OITQFDMTQNWHHU-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1CSC1	2243400456	BIHJWEHLLDHLPN-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)C1(B(O)O)CC1	2243410454	BRGLHAAOOODMHA-SSDOTTSWSA-N	229.085	-0.341	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H](C)COC	2243411705	YTGNHGAMHINNBD-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
CCn1ccnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243415379	TTZMABCPKCYVNR-BQBZGAKWSA-N	223.041	-0.296	50	10	BBGE	
CC(C)N(CCN)C(=O)C1CC(B(O)O)C1	2243416767	MYUMDFFVCIIMHL-UHFFFAOYSA-N	228.101	-0.565	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CC2)CO1	2243417875	XVYFBWIFGCRJIK-OCAPTIKFSA-N	225.053	-0.207	50	10	BBGE	
O=C(NC[C@H](F)C(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243419728	FRMOLASBNQLSFV-WISUUJSJSA-N	242.965	-0.134	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)co2)C1	2244206170	SKMLDMALYCSYHB-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2245117497	AXFGZEARHSPOCD-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
C#CCCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912878	ISFXKEFFFGYHFV-UHFFFAOYSA-N	238.483	-0.338	50	10	BBGE	
CC(C)O[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247740427	KKWMXQGQZACHRT-SNVBAGLBSA-N	239.080	-0.582	50	10	BBGE	
CCN(CC)C(C)(C)CNC(=O)C#CB(O)O	2247746597	BDDMLKXLAIHKIS-UHFFFAOYSA-N	240.112	-0.762	50	10	BBGE	
COC(=O)C(C)(C)CNC(=O)C1(B(O)O)CC1	2247754745	FJYCXVFDUQCYBO-UHFFFAOYSA-N	243.068	-0.691	50	10	BBGE	
CCCC(C)(C)NC(=O)c1cc(B(O)O)n[nH]1	2247784328	SPUQTZWXHASTOY-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2[C@H](O)C[C@H]2C1	2247784998	DRTDPBJPVAUHCY-SRQGCSHVSA-N	239.080	-0.921	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)C1CC(B(O)O)C1	2247796574	AVYAARPVIXWEPC-RTBKNWGFSA-N	242.128	-0.271	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@H]1C[C@H]1B(O)O	2247799613	GAMURDBJRKJEMF-OEZYJKACSA-N	239.080	-0.657	50	10	BBGE	
CC(C)C[C@H](CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247803239	ADGRLWYLLGVTOC-AEJSXWLSSA-N	243.112	-0.380	50	10	BBGE	
CC[C@H]1CNCCN1C(=O)C1CC(B(O)O)C1	2247803385	ATOQRKYBZFUIRK-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808498	LFSDGZWCBRNVSJ-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247809641	QJGXRJIIWUYDSM-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247847376	WKLTUHXXVACAFU-SSDOTTSWSA-N	235.052	-0.931	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1N(C)C(=O)C#CB(O)O	2247848640	OLEKLBWRCVVDLD-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850158	KRTDZFBOOZNAKS-QMSLJYSESA-N	236.080	-0.674	50	10	BBGE	
COC[C@@H]1C[C@H]1CNC(=O)C1CC(B(O)O)C1	2247892789	HWWLZXFGBAYKTM-ZNHWEVIXSA-N	241.096	-0.362	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247970679	AHYZKVHOIDBWDI-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
C#CCCC(=O)Nc1ncc(B(O)O)cc1F	2248396598	BLJGOIFCEUSVLI-UHFFFAOYSA-N	236.011	-0.748	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2248476828	WVOWUJSYQDMVAH-CIUDSAMLSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CC1)CC(=O)O	2248574733	UXVCBPNQSKJNRA-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H](F)C1	2249416925	YTJDUDLEMAQSOZ-QMMMGPOBSA-N	241.027	-0.467	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1cocc1B(O)O	2249424049	NREOBGTZMSKEDH-RDDDGLTNSA-N	235.048	-0.368	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CCCC1	2253398390	PMELVFCAHRVSRX-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)C1(B(O)O)CCC1	2255479971	VODVGKBCAYDETK-UHFFFAOYSA-N	245.047	-0.289	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)[C@H]2C[C@H]2C)n1	2255481342	GHWIHVYEWKTBGO-XCBNKYQSSA-N	248.091	-0.450	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1ccnnc1	2255481930	NSHOXXRWGIELGL-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1occc1B(O)O	2255490105	DKGFNMCEHXCGMW-YUMQZZPRSA-N	249.075	-0.265	50	10	BBGE	
C#CCCN(C)C(=O)c1cccc(B(O)O)c1F	2255501681	SAWYPSSMGXBTMY-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CCC1(N(C)C(=O)c2ncccc2B(O)O)CC1	2255519072	SGVUYBUMYVVIRH-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255736407	MVVAUPAIMDZJTJ-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
O=C(NCc1cncn1C1CC1)C1(B(O)O)CC1	2255739085	DOXDNEYDGQTUST-UHFFFAOYSA-N	249.079	-0.159	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC2CCC1CC2	2255764169	XPPJURGLMZKONB-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)cc1O	2255953993	RFHAPMTVODGBKA-VIFPVBQESA-N	247.059	-0.480	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2258125625	AKNAHMWEROMNGL-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C[C@H]1C[C@@H]1C(=O)NN	2298180034	IGXUEIPXNKYNJN-YTWAJWBKSA-N	240.351	-0.363	50	10	BBGE	
CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368560	LIZODEOGNQPYDH-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2298376668	HSSOIAHJWABBDT-TURQNECASA-N	239.080	-0.656	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@H]1C[C@@H]1B(O)O	2298377451	RTHWQQORZAKWPR-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1C[C@@H]1C(=O)O	2298463361	ZOXRUYSQNIHLST-BZCSJUTBSA-N	241.052	-0.925	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN([C@H](C)CC(=O)NN)C2	2299131620	MIJWVSFYQOZYRD-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CO)CN(C)CCC[C@@H]1C[C@@H]1C(=O)NN	2300370756	NEUAFGCYTCLFGJ-AXFHLTTASA-N	243.351	-0.047	50	10	BBGE	
N#CC1(O)CCN(CC2(N)CCOCC2)CC1	2301978290	NJBBNZAWZXMQBL-UHFFFAOYSA-N	239.319	-0.155	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN[C@H]2CCC[C@@H]21	2302885257	OEHFROQZOXGDMW-IMSYWVGJSA-N	238.096	-0.798	50	10	BBGE	
CCC(CC)NC(=O)CN1CC[C@@H](B(O)O)C1	2303099303	MGJNJTQRSFRUNH-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CC[C@@H](CCO)Nc1cc(B(O)O)c(F)cn1	2303834225	BSNCBBLXRVWTLA-ZETCQYMHSA-N	242.059	-0.527	50	10	BBGE	
CCc1nccn1-c1cc(B(O)O)c(F)cn1	2303835623	ZNSNDWVXDOXNMW-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
CCOCCN(C)c1cc(B(O)O)c(F)cn1	2303847463	JOUVFXMYGHCDPR-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
OC[C@@H]1C[C@@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2312612227	JTLISKCANHTCJK-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1C[C@@H]1CN	2317161430	LYLSVWORALQPGD-PSASIEDQSA-N	246.075	-0.788	50	10	BBGE	
CSCC(=O)NNC(=O)C(=O)NC(C)C	8390854	VRLUCVIYPJZMNH-UHFFFAOYSA-N	233.293	-0.979	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCC#N)CCOC	82468792	PTWYBEXSYCBTIH-SECBINFHSA-N	228.296	-0.383	50	10	BBGE	
COC[C@H](C)N(C)C[C@H](C)C(=O)NN	82469601	JCCMFXYBTKFJAL-YUMQZZPRSA-N	203.286	-0.421	50	10	BBGE	
COC(=O)CS[C@H](C)[C@@H](C)C(=O)NN	86313975	OUSAPWTZBGQJKV-PHDIDXHHSA-N	220.294	-0.093	50	10	BBGE	
NNC(=O)CCCN1CCN2CCCC[C@H]2C1	94444426	UJSIUUISDWYQFV-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
CC[C@H](Sc1ncnn1C)C(=O)NN	128062123	KNBQBTZETRXYBB-YFKPBYRVSA-N	215.282	-0.324	50	10	BBGE	
CCCC(=O)OC(=O)CN(C)C(=N)N	139525024	YUUVURNOUHULKZ-UHFFFAOYSA-N	201.226	-0.318	50	10	BBGE	
COC(=O)/C=C/c1ccsc1B(O)O	202682112	FTVDRTPMBJAFPI-NSCUHMNNSA-N	212.035	-0.386	50	10	BBGE	
COC[C@H](Cl)CN(C)Cc1nnn(C)n1	234865253	ZQAFERAMJQGONP-SSDOTTSWSA-N	233.703	-0.104	50	10	BBGE	
CN1C(=O)[C@H](Cl)[C@@H](CO)N(C)C1=O	238337550	LMAMRPNZEJSAAT-RFZPGFLSSA-N	206.629	-0.522	50	10	BBGE	
CO[C@@H]1CN(C(=O)CBr)C[C@H]1O	306576803	KRHYSRZLZPOHBU-PHDIDXHHSA-N	238.081	-0.401	50	10	BBGE	
COC1CN(C(=O)NC(=O)CCl)C1	307185324	IAPMRRHQZAQWTR-UHFFFAOYSA-N	206.629	-0.208	50	10	BBGE	
OB(O)c1c(O)ccc(Br)c1F	307545570	JZACBCPUEGCTHC-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CCCN([C@H]1CCOC1)[C@@H](C)C(=O)NN	379845158	HSJVRIBWGXWYTP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COCOc1cc(OCOC)cc(B(O)O)c1	380217458	KVRFYDYUEXUSQW-UHFFFAOYSA-N	242.036	-0.668	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H](C)O[C@H]1C	384971770	TVVFOXPCJMLPHN-UTINFBMNSA-N	245.323	-0.511	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](O)[C@@H]1C	384978057	YURGDEGJGVENBS-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(CC(=O)NN)[C@H]31	394365551	NUPCOKDOGONWRU-MZFCOBPBSA-N	225.292	-0.669	50	10	BBGE	
CCOC(=O)CCc1ccc(C#N)c(B(O)O)c1	396086336	AOKDASOZBRSFBW-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
N#CCCc1cc(CC(=O)O)cc(B(O)O)c1	396132355	JQBYSNWLSTXZNF-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H](C)C1	399584154	CYPYKGIQMFQIGW-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnns1	400028260	PSQSAWFGNWBPDZ-RQJHMYQMSA-N	243.336	-0.016	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1ccccc1B(O)O	405053307	JOUCBMYUMZIHKV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCOC[C@H]1Cl	575467123	AMPSBIZFEZUDEN-RITPCOANSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CCC(=O)NN	686191052	KEPPDWYMUJSALN-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@](C)(O)C1	695087980	QUAHPKYXDRZLHW-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
Cn1nnc(C(=O)NC/C=C\CCl)n1	697200966	LRYIAUQTFPXUSP-IHWYPQMZSA-N	215.644	-0.265	50	10	BBGE	
NC(=O)NNC(=O)CCNC(=O)C1CCCC1	700841619	QQEYDBDKNXLIJF-UHFFFAOYSA-N	242.279	-0.618	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703805629	MUHLKHZPXCIPNO-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC1(C)CC[C@H](Cn2ccc(B(O)O)n2)OC1	714115387	JMHJFXQLYALOTQ-SECBINFHSA-N	238.096	-0.232	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@@H]2C1=O)C(=O)NN	715549142	NZYLVCWDCVYSAX-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1cn(C)nn1	720611117	IQWLXRJRWSCKPB-YFKPBYRVSA-N	238.700	-0.008	50	10	BBGE	
Cc1ccnc(C(=O)NCB(O)O)c1C	725628102	FZHCLGWQQNXOAQ-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
CN(NC(=O)CCOCC1CC1)C(N)=O	778416859	JPROJSPYHPECPI-UHFFFAOYSA-N	215.253	-0.155	50	10	BBGE	
C/C=C\C(=O)N(N)[C@@H]1CCS(=O)(=O)C1	1083055362	DSCKSCRGBVYIEG-SKRYNEFJSA-N	218.278	-0.548	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCOC2)n1C	1331880072	WNQQALCKYUNUPO-ZETCQYMHSA-N	225.252	-0.397	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2ncon2)CC1	1627100218	VWLCOLGAFGLHCC-UHFFFAOYSA-N	235.203	-0.476	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1CCc2nncn2C1	1638767407	YAACUGHWASXCAF-LURJTMIESA-N	248.250	-0.898	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H](C)CC(N)=O	1652535986	CTHRSFUICLHMSH-MRVPVSSYSA-N	239.275	-0.551	50	10	BBGE	
CC[S@@](=O)N[C@H]1CCC=C1B(O)O	1883501551	JXMWAZSIWCDZFK-WPPNPWJKSA-N	203.072	-0.640	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(O)(CN(C)C)C1	1892488379	FUWJFCYKLMSPTB-SSDOTTSWSA-N	220.700	-0.251	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)NC[C@H]1C[C@@H]1Cl	1893099581	PRFYVHCJASOWHG-DSYKOEDSSA-N	220.700	-0.172	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)[C@@H](C)CC(=O)NN	1896480815	JFOIPUGDTXOIGE-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
CCN(OC)c1ccc(C=O)c(B(O)O)c1	1901249273	RUSHZOPCFWXGPW-UHFFFAOYSA-N	223.037	-0.433	50	10	BBGE	
C[C@H](CN)CC(=O)NN(C)S(=O)(=O)C1CC1	1901341956	DAVBQMFPNYYPCX-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(C)C=CCN1	1901377047	JLBMUIPAPNOABC-SECBINFHSA-N	247.320	-0.783	50	10	BBGE	
CC(C)[C@@H](CO)N(C)CC(C)(C)C(=O)NN	1902165103	ITFXMNPJEKTTRE-SECBINFHSA-N	231.340	-0.049	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccccc1B(O)O	1902407765	WRAULMGNUXNTFJ-MRVPVSSYSA-N	217.033	-0.119	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CO[C@@H]2CCOC2)O1	1909805482	OXJXXLDCVZEOHG-UTLUCORTSA-N	244.291	-0.281	50	10	BBGE	
C=C(CN(C)C[C@]12COC[C@H]1C2(F)F)B(O)O	1910316452	FLAFBMTVIOQEQQ-BDAKNGLRSA-N	247.050	-0.232	50	10	BBGE	
C=CC[C@H](C)OCCn1cc(C(=O)NN)nn1	1913341318	MKJBKLXHBWUTGW-QMMMGPOBSA-N	239.279	-0.137	50	10	BBGE	
CC(C)(CN=S(C)(C)=O)C(=O)NN	1913514211	LJUUXCVLJLXOIY-UHFFFAOYSA-N	207.299	-0.270	50	10	BBGE	
CS(=O)(=O)NCC(=O)N1CC=C(C#N)CC1	1917050869	PIYWWRSHIUJSBR-UHFFFAOYSA-N	243.288	-0.782	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@](F)(CO)C1	1917086127	DSCMGBMVRBHIDU-PSASIEDQSA-N	233.287	-0.449	50	10	BBGE	
C[C@H]1COCCN1CC(F)(F)C(=O)NN	1927816942	UVROYBGMMRZESZ-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
CN(C)NC(=O)C1(CN)CC(F)(F)C1	1928665847	PGTRLCDGBPGSLF-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CCC[C@]1(O)CCN(CC(=O)NN)C1	1930886443	UMNUGUYQUOECGR-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
COCCN(C)CC1(C(=O)NN)CC1	1931264792	FOZZZSSMHMTVMF-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
NNC(=O)CCN1CCS[C@@H]2CC[C@H]21	1931919289	LAKMHCKYHOWQFY-HTQZYQBOSA-N	215.322	-0.054	50	10	BBGE	
CS(=O)(=O)NC[C@@H]1COC[C@@H]1Cl	1933389272	MDCJNBFRZMDBCP-RITPCOANSA-N	213.686	-0.211	50	10	BBGE	
CN(C)[C@@H]1CCCCN(CC(=O)NN)C1	1934076914	BWINGVNSEVNQGD-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CC(F)(F)C(=O)NN	1935943356	CLFFNFNWTDCSES-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CCCC1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936091186	LLKNWDXSKLCNMC-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@H]1C[C@H]1C(=O)NN	1936094690	PGNQWQPFNYCQJH-IVZWLZJFSA-N	227.308	-0.419	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCOC1	1936534090	NCVSEKWMRBDACX-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@H](CO)C1	1936999395	AHGJUIKJXQYETI-FNCVBFRFSA-N	225.244	-0.326	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]2CC[C@@H]21	1938600026	NMTYWUOCVRTCOQ-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CN(Cc1ncnn1C)CC1(C(=O)NN)CC1	1945883075	SYAZASQMRKSSKS-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
CN1CCC[C@H](CCn2cc(B(O)O)cn2)C1	1946086171	OHGDQJAPSYRUNZ-SNVBAGLBSA-N	237.112	-0.705	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@H]3C[C@@H]32)CC1	1947666572	XORPOVHILPIKSS-KXUCPTDWSA-N	235.287	-0.529	50	10	BBGE	
C[C@@H]1CN(CCn2ccc(B(O)O)n2)C[C@H]1C	1950188867	HTEYDFYXLYOJRD-NXEZZACHSA-N	237.112	-0.849	50	10	BBGE	
OB(O)c1ccc(OCCOCCF)cc1	1951331878	DUXXEVIKGBCFIT-UHFFFAOYSA-N	228.028	-0.269	50	10	BBGE	
O[C@H](CBr)CN1CC=C[C@@H](O)C1	1953618141	OJYJFHMBHPSMRE-HTQZYQBOSA-N	236.109	-0.025	50	10	BBGE	
O=C(CBr)[C@@H]1Cn2cnnc2CN1	1954341995	SNFRDONWYCVYMQ-YFKPBYRVSA-N	245.080	-0.286	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)C[C@@H](O)CCl	1955445622	IIEHKTAVFXALBN-YIZRAAEISA-N	225.716	-0.350	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C[C@H](O)CCl)C1	1956251789	JOPXIBYZAOOOJR-HTQZYQBOSA-N	220.700	-0.346	50	10	BBGE	
OB(O)c1csc(N2CC3(CC3)C2)n1	1956966176	QVBNPFNRMKMIFV-UHFFFAOYSA-N	210.067	-0.577	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(F)C[C@@H]1CO	1958321431	JRDIJBGAHPRHJF-NTSWFWBYSA-N	223.223	-0.933	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@](O)(CO)COC	1958820521	YDJBEFPXDVQIAZ-APPZFPTMSA-N	239.699	-0.510	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](C(=O)NN)C(C)C	1959516347	FWDFMIKUPWVHRD-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
Cc1ncnc(O[C@H]2C[C@@H]2C)c1B(O)O	1961687025	IMNAYXADTBAYIT-FSPLSTOPSA-N	208.026	-0.748	50	10	BBGE	
COC[C@H]1CN(CCC(=O)NN)C[C@H]1C	1962492274	BMIIISHGSRKOOA-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CCCC[C@@H]21	1980829200	UVSCJZHLACNDTQ-JGVFFNPUSA-N	243.332	-0.137	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1981193003	WJNHNYXWCXDFNO-RXKWCEQPSA-N	245.348	-0.935	50	10	BBGE	
CC[C@H]1CCN(c2ncc(B(O)O)cn2)C1	1981408682	DCYNWWVYFSBIRU-QMMMGPOBSA-N	221.069	-0.607	50	10	BBGE	
COC[C@H](CF)N1[C@H]2CC[C@H]1C(=O)OC2=O	1981691795	BQZKNJCWPVWPJW-FXQIFTODSA-N	231.223	-0.113	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1981728418	DOKLGVHJLHEGFW-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H]1C(F)F	1982687766	VMHZMCHARLBJJF-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
CN(CC(=O)NN)CC1C[C@@H]2CC[C@H](C1)O2	1985270358	PHFJWDUDPJYXGQ-PBINXNQUSA-N	227.308	-0.134	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)C1COC1	1985357535	QCHIRYIRYRDSBN-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H](C)COCc1nsc(C(=O)NN)n1	1986049907	XZBKJEBMMSREDX-RXMQYKEDSA-N	246.292	-0.307	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1COCC1(F)F	1991600547	BJENOAXREIAZLQ-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C=C(CN1CC[C@H]2[C@H]1CCCN2C)B(O)O	1992152708	HRIRTJXCQIJXEI-WDEREUQCSA-N	224.113	-0.277	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@]1(O)CCCNC1	1993452613	NAEGSKGXZAKJLG-PBKGFPTLSA-N	246.694	-0.461	50	10	BBGE	
COCCO[C@@H]1CCCN(CCC(=O)NN)C1	1996761004	FVCGKABYYDDSSZ-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](CO)C1(C)C	1997288948	FAMCTNIFXQIWGM-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
Cc1ncnc(N2CC3CC(C3)C2)c1B(O)O	2004974279	IDAAOQGUYVSPEF-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2[C@@H](CO)C1	2007296656	YNTNVLVWWNGKGR-SNVBAGLBSA-N	235.287	-0.432	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2OCC[C@H]2F)c1	2009181762	LOPBTQRXSRETPG-NXEZZACHSA-N	241.027	-0.733	50	10	BBGE	
C[C@H]1C[C@@H]1CCCn1cc(B(O)O)ccc1=O	2011568227	LKXMKWPCWOPMGV-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C(C)(C)C(=O)N1	2013377327	WTYRUWFMKCISQZ-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C2(O)CC2)C1)C(=O)NN	2013933699	QZGJYFJZKLCMDD-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@@H]2F)ncc1B(O)O	2014735118	LYFAUFIOJPJAQI-APPZFPTMSA-N	239.059	-0.741	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCC(=O)N(C)C	2014824130	LASHEOQAZKQJOA-IUCAKERBSA-N	244.339	-0.589	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]2(CCCO2)C1	2019213381	VPCFZSJWCUEBLW-LLVKDONJSA-N	241.291	-0.591	50	10	BBGE	
Cc1nc(O[C@H]2CCN(C)C2)ccc1B(O)O	2021067156	CSPRZHWUANJHFD-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C[C@H]2C1	2022195932	DBNNPONZRPWZRF-DTORHVGOSA-N	231.060	-0.542	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	2022769458	YFNCNEZRCHKFJS-JFGNBEQYSA-N	241.335	-0.295	50	10	BBGE	
CC1(C)C[C@@]1(C)C(=O)Nc1ncc(B(O)O)cn1	2040767425	RIIHPSVFHKLRGA-NSHDSACASA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@@H]2CCC[C@@H]21	2052487741	PIWBWFDDTKPSCM-NWDGAFQWSA-N	248.091	-0.481	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@H]2C1	2058157544	ZZOCQQSMDFSWSZ-OUAUKWLOSA-N	247.103	-0.036	50	10	BBGE	
COc1ccc(B(O)O)c(C#N)c1Cl	2060106404	YHCSTLCOHPAIOF-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CC(C)[C@H](C)Cn1cnc2c(B(O)O)ncnc21	2068991512	OOZYMZHWTFVUEH-MRVPVSSYSA-N	248.095	-0.202	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COCC[C@@H]21	2073061219	NLOABXNWHKPSEM-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
C=C(CN(C)Cc1ccc2nncn2c1)B(O)O	2077484156	VMRRFEARAMYUEM-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
CC(C)[C@@H]1COCCN1CC(=O)NN	2210060987	OZBZSTCHHBMCHL-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](COCc1nscc1B(O)O)N(C)C	2211140148	LWWVTTQFAWFPFA-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
CN(C)C1(C)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215778430	ZCLNWCGFJDAUGO-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1cnc(OCCCCC(F)F)nc1	2216406037	LXGUHTPPLOXYEK-UHFFFAOYSA-N	246.022	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(CCCO)C1	2216752013	PMWUSPFFZUQEIN-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
Cc1cnc(-n2cccc2C#N)cc1B(O)O	2217162562	JGKLVMWHXJTLKW-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCNC2)nc1	2217167761	QDKDQKOYNBXPGA-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
C[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CO1	2217179719	NMUUERZSOUXZPQ-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
OC[C@@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217184386	SAULFMWXCKJGOH-XPUUQOCRSA-N	240.043	-0.917	50	10	BBGE	
Cc1cnc(NC[C@H](O)C(C)C)cc1B(O)O	2217184735	VUDCZMMECHKEGY-JTQLQIEISA-N	238.096	-0.501	50	10	BBGE	
C[C@@H]1N(c2cc(B(O)O)ccn2)CCC1(F)F	2217202463	XBMLTYYINBJVPB-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
C[C@@H]1[C@@H](Nc2ncccc2B(O)O)CCN1C	2217204594	LYHHDTLPTPTDIT-SCZZXKLOSA-N	235.096	-0.734	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@@H]1C(C)C	2217213711	OZOSROMALSZMCJ-SNVBAGLBSA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC23CCC3)[nH]c1	2223625845	FXAOQXCBAFGMOU-VIFPVBQESA-N	247.107	-0.430	50	10	BBGE	
CC(C)(Nc1cc(B(O)O)ccn1)[C@H]1CCCN1	2223633740	ANCRWUXWCBSRQS-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@H]3CC[C@@H]32)c1	2223664499	WGLAFDWNJRCIGK-GARJFASQSA-N	248.091	-0.719	50	10	BBGE	
CCN1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223675044	PCUWZIWCOZHYKQ-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
O=C(C#CB(O)O)N(CCO)Cc1ccccc1	2241478513	GVADXXLZVIUWNG-UHFFFAOYSA-N	247.059	-0.977	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243356818	NGTXMTNUBVVRBD-ZETCQYMHSA-N	224.069	-0.387	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1ccsc1B(O)O	2243359728	WUZXOQIUAGHWTC-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1cnn(C)c1	2243365754	RMURIUARPBJWLN-UHFFFAOYSA-N	223.041	-0.610	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2243380930	APXSSMMHONIGTH-GHCJXIJMSA-N	225.053	-0.761	50	10	BBGE	
O=C(NCC1(CO)CC1)[C@H]1C[C@H](B(O)O)C1	2243391495	LKXFRCAGCIVXEM-ZKCHVHJHSA-N	227.069	-0.872	50	10	BBGE	
COC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243397080	VHHMCOLLZDGBEX-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)[C@H]1C[C@H]1B(O)O	2243405028	YJYHDGFVAGXDTI-JGVFFNPUSA-N	227.069	-0.920	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1occc1B(O)O	2243411645	XXFAROPUMDQGAS-BDINMYNLSA-N	221.021	-0.902	50	10	BBGE	
C[C@@H](CCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420132	NCUOZWZXZSKHRT-CIUDSAMLSA-N	229.085	-0.626	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@H](C)CC)B(O)O	2243433381	LPBKDDZAJSAMBF-VXNVDRBHSA-N	249.141	-0.091	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1cscc1B(O)O	2243677822	AHSDINWCFNPIHK-ZETCQYMHSA-N	237.089	-0.372	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cocc1B(O)O	2244216384	JWRKTDSDEUXVIW-RCOVLWMOSA-N	223.037	-0.560	50	10	BBGE	
CC[C@](C)(OC)C(=O)NCCC#CB(O)O	2244547002	UKEQJBBSUXMFBX-JTQLQIEISA-N	227.069	-0.677	50	10	BBGE	
N[C@H]1C[C@@H](Nc2cc(B(O)O)c(Cl)cn2)C1	2245912856	IKWAZMNQYTWOQK-OLQVQODUSA-N	241.487	-0.684	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ccc(B(O)O)cn1	2246740750	GQTLEHRUGYNJBB-ZETCQYMHSA-N	235.052	-0.613	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)o1	2247740769	PHFXARUFTQYLEH-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)C#CB(O)O)CC1	2247744777	YBBLLWGBOONEAE-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
CO[C@@H]1CCCCC[C@@H]1NC(=O)C#CB(O)O	2247746892	FVLNGJJRBDJOSW-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247748191	ZFUGBJNEVPBXPP-APPZFPTMSA-N	236.080	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)C1(B(O)O)CCC1	2247755637	QKHPGLKHARSJQS-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1C[C@H]1B(O)O	2247796714	CARWGDFBGHYLKT-QEYWKRMJSA-N	239.080	-0.467	50	10	BBGE	
COC(=O)CCCNC(=O)C1CC(B(O)O)C1	2247798975	YUHQFVQZYMHAJI-UHFFFAOYSA-N	243.068	-0.691	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOCC2(CC2)C1	2247803334	AOHUQKWNDBYBOC-BDAKNGLRSA-N	239.080	-0.512	50	10	BBGE	
C[C@@H]1CC[C@](CO)(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808942	NFLLFDQRRRYNEX-REIXXSIJSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCN(C)C(=O)C#CB(O)O	2247848117	HJLQKFDFYGUROS-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850046	JBCSPULFPIUZKD-VXNVDRBHSA-N	236.080	-0.387	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247851668	ICYLYONVJTVCSR-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)[C@@H](C)O1	2247858247	CCDDGWJVWDDZER-ZDJSQJGASA-N	241.096	-0.079	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H](C)CO1	2247859699	OEPOKVNUYNDAKR-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2[C@H](C1)C2(F)F	2247860186	SVTZTKVJEGAJHB-KVFPUHGPSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCCN1	2247877084	BRXUHBCUBHLRPX-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CO1)[C@H]1C[C@H]1B(O)O	2247898610	GDFUKFTVNZYXBS-LYFYHCNISA-N	249.022	-0.610	50	10	BBGE	
NC[C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247898777	HQEYYCLZZLBRHC-REIXXSIJSA-N	238.096	-0.953	50	10	BBGE	
O=C(NC[C@H]1CCCOC1)[C@H]1C[C@H](B(O)O)C1	2247900654	YSCKHSFRQJPIII-OPRDCNLKSA-N	241.096	-0.218	50	10	BBGE	
CC=CC=CC(=O)Nc1cccc(B(O)O)n1	2248402218	TXSMYXJUFLHHTL-UHFFFAOYSA-N	232.048	-0.168	50	10	BBGE	
C[C@H](CO)C(=O)Nc1ccc(B(O)O)c(F)c1	2248475098	RUQHYSSJXBGUHD-ZCFIWIBFSA-N	241.027	-0.928	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248578757	VTXMXZYMTVURJQ-UHFFFAOYSA-N	243.068	-0.247	50	10	BBGE	
CCn1nnnc1CN1CCC(B(O)O)CC1	2249377714	HRTMKOIPTVGWAE-UHFFFAOYSA-N	239.088	-0.868	50	10	BBGE	
C[C@]1(CO)C=CCCN1c1ncccc1B(O)O	2253435019	YKQKCWRVEUNAKC-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3CC[C@@H]32)n1	2254704287	BHSCAAWWGHDKDN-SCZZXKLOSA-N	248.091	-0.241	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]2C1	2255513966	AWVSXNSADGGOCV-IUCAKERBSA-N	249.050	-0.403	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)c[nH]2)CC=CC1	2255678675	IATNQCBNHBRVKA-UHFFFAOYSA-N	248.091	-0.219	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018100	WWMWNSXGEYOZQX-GMSGAONNSA-N	249.075	-0.400	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)[C@H]1C[C@@H]1C	2257485282	GCDMZHFSOBXIDO-XVKPBYJWSA-N	248.091	-0.450	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)c(F)cc1C	2258090711	KOYRKRYNOBJDDP-UHFFFAOYSA-N	249.050	-0.481	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCn2cncc2C1	2258588124	GLNFOICRPFEUBF-KOLCDFICSA-N	249.318	-0.285	50	10	BBGE	
CC1(C)CO[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376669	HXNDMJKWUXCOCN-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@@H](N)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377006	ASWNWWPTLJDJOY-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O)[C@@H]1C[C@H]1B(O)O	2298377486	SJMDQJHFLPVMBY-AZDAQJLHSA-N	239.080	-0.875	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CO[C@H]2C3)nc1	2298565113	WMPIOJSZYBUTKI-HGNGGELXSA-N	234.064	-0.649	50	10	BBGE	
C[C@@H](O)CCCN(C)c1ncccc1B(O)O	2299587815	VQPZUDWHPXQYJA-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@]2(CO)C3)CC1	2299809378	FHQFOBHUHYGQDY-WVSHTKLVSA-N	239.319	-0.397	50	10	BBGE	
C#C[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2301346729	UJELGTUBFOTFPI-SECBINFHSA-N	228.060	-0.081	50	10	BBGE	
C[C@H](O)[C@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301450900	KIQKOVZCQODWLH-YUMQZZPRSA-N	237.064	-0.640	50	10	BBGE	
CC(C)=C(Cn1cc(F)c(O)nc1=O)B(O)O	2301838075	UQAVRMOOJJONGA-UHFFFAOYSA-N	242.015	-0.564	50	10	BBGE	
NC[C@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)C1	2303852808	OZNDNOOXIGHONC-KNVOCYPGSA-N	240.043	-0.983	50	10	BBGE	
N#CC1(O)CCN([C@@]2(C(=O)O)CCNC2)CC1	2304548757	CEDSNZJLVGYQBI-NSHDSACASA-N	239.275	-0.846	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1C[C@@H]1C[C@H]1C(=O)NN	2309397082	UWTGJZLEKLTAEE-OYNCUSHFSA-N	249.318	-0.077	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1[C@@H]2CCO[C@@H]21	2309862738	HHUBRVYBYZKVMA-SWPVVBRQSA-N	247.059	-0.660	50	10	BBGE	
CC1(C)[C@@H](O)CN1c1ccc(B(O)O)cc1C#N	2317166900	ARPNRANXRAJPQB-NSHDSACASA-N	246.075	-0.802	50	10	BBGE	
C#CC1(Oc2ccc(B(O)O)cc2C#N)COC1	2317206351	NHRQAZKJFBPYRO-UHFFFAOYSA-N	243.027	-0.981	50	10	BBGE	
Cc1cnccc1COc1ncc(B(O)O)cn1	2317803043	XYVVOGMQDBRZSX-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
N#CCCNC=C(C#N)C(=O)NCCC(=O)O	2324141464	LTMBOBONRQIZCH-UHFFFAOYSA-N	236.231	-0.512	50	10	BBGE	
NNC(=O)Cn1cc(C(N)=O)c2ccccc21	70160743	WODZMHHKZYJWNV-UHFFFAOYSA-N	232.243	-0.270	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)n1cncn1	82468465	YFRASPRFDAUMOS-VIFPVBQESA-N	217.232	-0.143	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1CCN(C)CC1	82469176	MVLDTZDGFFSTTJ-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
Cn1ncnc1SCCC(=O)NN	164754244	QHBRBLVFJRXDGJ-UHFFFAOYSA-N	201.255	-0.713	50	10	BBGE	
CC(C)[C@H](N)C(=S)N[C@@H](C)B(O)O	169954385	FCIPTNLVYILXGV-WDSKDSINSA-N	204.104	-0.713	50	10	BBGE	
CN1CCCN(Cc2cccc(B(O)O)c2)CC1	199015212	GZSCMOCHPPHWNZ-UHFFFAOYSA-N	248.135	-0.496	50	10	BBGE	
NC(N)=NCCCC[C@H](N)C(=O)Cl	199980597	WVYXKBOQWKGMGO-YFKPBYRVSA-N	206.677	-0.477	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	202351199	YLQGXGBOYJWXBT-HTQZYQBOSA-N	228.101	-0.637	50	10	BBGE	
COCCCOCc1ccccc1B(O)O	203169957	HXULFCHUYXYQOR-UHFFFAOYSA-N	224.065	-0.081	50	10	BBGE	
CC(C)(SCCB(O)O)[C@H](N)C(=O)O	215852887	LHHSOSAMOIDZGJ-RXMQYKEDSA-N	221.087	-0.617	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](OC)C1	230357473	LLHBEDCTQSSZCP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCOCCO[C@H](COC)C(=O)NN	232417478	QSXMJBXGRLHKJF-SSDOTTSWSA-N	206.242	-0.956	50	10	BBGE	
COCCN(CC(C)C)[C@H](COC)C(=O)NN	232419631	DYCCXRPZFJEENG-SNVBAGLBSA-N	247.339	-0.404	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccc(F)cc21	236213627	WLMOAVIOFRZWHK-UHFFFAOYSA-N	223.207	-0.295	50	10	BBGE	
OB(O)c1ccc(O)c(OC(F)(F)F)c1	238624300	LCEMSABAKTUQHP-UHFFFAOYSA-N	221.927	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN2CCC[C@H]2C1	251573816	VTUYFYUCACFSNB-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](C)[C@H](C)C(=O)NN	252604736	PAXRQWFKLITCNN-IUCAKERBSA-N	244.339	-0.412	50	10	BBGE	
NNC(=O)NCCc1ccc2[nH]c(=O)oc2c1	258866902	ZHNFUCAYTKGJJO-UHFFFAOYSA-N	236.231	-0.164	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	306038020	RGFCCKXHSTUWAN-PFVOVASCSA-N	239.319	-0.544	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@H]1CONC1=O	307001010	HPQVMLXHSZAASB-YFKPBYRVSA-N	220.656	-0.202	50	10	BBGE	
Cn1nnnc1CNc1nnc(CCl)o1	307163571	ZHYXAXIUVKJIRH-UHFFFAOYSA-N	229.631	-0.056	50	10	BBGE	
C[C@@H]1C[C@H]1CNNC(=O)[C@H]1COCCN1	309489846	ICCGYBQCHYQSGU-HRDYMLBCSA-N	213.281	-0.748	50	10	BBGE	
OB(O)c1ccc(OCc2cccnc2)nc1	310124249	COVSLQSNWVZNQC-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CCOC(=O)C(CS)=NNC(N)=O	383923260	NCCIVQPIZCKFLJ-UHFFFAOYSA-N	205.239	-0.496	50	10	BBGE	
COCCN(C)Cc1nc(C(=O)NN)co1	386634506	HGPYYROHZPTAKY-UHFFFAOYSA-N	228.252	-0.644	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ncncc1Cl	390218682	YFZKBKZGOKGNAX-UHFFFAOYSA-N	244.594	-0.773	50	10	BBGE	
N#Cc1nccn1Cc1nc(C(=O)NN)co1	395364471	RUWDTOKVVPNJHI-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
COC(=O)CCc1ccc(OC)c(B(O)O)c1	396030584	IIDQKFFCVHGFMO-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
OCc1cc(O)c2sc(B(O)O)cc2c1	396337136	GZBPEAJQXGQSSM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1c(O)ccc2c(B(O)O)csc12	396389417	VVOGPJVRHZVSGT-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccncc1	404977996	DWVLUPNDYMLKHN-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C=CC(=O)NCCC(=O)NNC(=O)NCC	490647106	WGMNDKRSYVEKMW-UHFFFAOYSA-N	228.252	-0.971	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2CC(=O)NN	686190976	JXLUHOCHCHEODZ-JQCXWYLXSA-N	213.281	-0.790	50	10	BBGE	
CN(CC(=O)NN)C[C@]12CCC[C@@H]1OCC2	687519632	DILYYDALQLPAQE-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN([C@@H](C)CC(=O)NN)C1	688958283	JUFYGNDFKCIFAC-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccc(-c2cncc(F)c2)nc1	689687946	MFCXUEXMNGPKJK-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	689954136	OPZCMJNCFPCRIU-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	690067994	UAZMGNLPTIXJPK-VHSXEESVSA-N	235.048	-0.660	50	10	BBGE	
CCO[C@H]1CNC[C@H]1C(=O)NN(C)C	690070141	XRDIMFIEUWQHJZ-SFYZADRCSA-N	201.270	-0.796	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCN(C)CCO	691314950	PJEYYTGEZPGWAB-JTQLQIEISA-N	246.355	-0.999	50	10	BBGE	
C[C@@H](NC(=O)N1CCC(O)(C#N)CC1)C(=O)O	692125240	ZWJHQYHTRHVRGJ-SSDOTTSWSA-N	241.247	-0.480	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)OCCl	692854737	ZXBRKVPMEVXWBN-LURJTMIESA-N	211.645	-0.006	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@@]2(C(=O)O)C1	693336033	WVMUSBKSNLZLHV-IMTBSYHQSA-N	213.237	-0.421	50	10	BBGE	
O=C1CN(CCOCCF)CC(=O)O1	702612992	SIDMFIQLAAWLIG-UHFFFAOYSA-N	205.185	-0.642	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccc(N)nn2)CC1	709299213	NFAAYTUEPBTBQR-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
C#CC[C@H](CO)NC(=O)CBr	717758629	BXDORQMRCMBAOU-ZCFIWIBFSA-N	220.066	-0.118	50	10	BBGE	
CN(C)C(=O)NC[C]1SC=C[C@H]1B(O)O	725687021	NUMMEDKWAQFNIG-ZCFIWIBFSA-N	229.090	-0.107	50	10	BBGE	
CC[C@@H](C)NC(=O)NNC(=O)[C@H]1COCCO1	745244889	QMKOXFWRGOEOKA-HTQZYQBOSA-N	245.279	-0.469	50	10	BBGE	
O=C(NCC12CC(CN1)C2)NNc1cccnn1	851677156	MQVNIHPBYXDSHG-UHFFFAOYSA-N	248.290	-0.145	50	10	BBGE	
CCOCCC=NNC(=O)c1cn(C)nn1	853383304	DDTLYYQCVITHTM-UHFFFAOYSA-N	225.252	-0.043	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	864403416	UJZHYKJDVDMCOV-YUMQZZPRSA-N	245.279	-0.469	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H](C)c1ccnn1C	910145604	CFVIUAKNKUTRII-RKDXNWHRSA-N	240.307	-0.133	50	10	BBGE	
O=C(CO)NNc1ncc(Br)cn1	1163619824	HCDGYUVUGZYTCZ-UHFFFAOYSA-N	247.052	-0.326	50	10	BBGE	
CN(NC(=O)C[C@H]1CC(=O)N1)c1ccccn1	1335332528	XVHFZBMFSWJCMS-MRVPVSSYSA-N	234.259	-0.172	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1cccc(F)n1	1470522848	QJXVLNNUEKSHJK-ZETCQYMHSA-N	239.206	-0.471	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1	1540502331	UEKOLVQKIPIDTP-VIFPVBQESA-N	236.275	-0.130	50	10	BBGE	
COc1c(C(=O)NNC(=O)N(C)C)cnn1C	1542415023	LFTFWKPDNUBERR-UHFFFAOYSA-N	241.251	-0.655	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnc2c[nH]nc2c1	1627016801	UKBQQWUKUACXNI-UHFFFAOYSA-N	248.246	-0.126	50	10	BBGE	
CCn1ccc(C(=O)NNC(=O)c2cnn[nH]2)n1	1627298271	HZNJTYSFDIRDMF-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCCO1	1637856743	SJWWSLFTLJZOOI-RKDXNWHRSA-N	240.259	-0.649	50	10	BBGE	
Cc1nnccc1C(=O)NNC(=O)c1ncon1	1648115550	HYFGNNYSIOXKSI-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
O=C1C[C@@H](NC2CC(Br)C2)C(=O)N1	1882558841	NGIYGFAYZMGKIQ-JMMWHDCWSA-N	247.092	-0.083	50	10	BBGE	
N[C@@H](CCO)C(=O)NC[C@@H]1C[C@H]1Cl	1883551527	JWZOJHWLUHODLW-XVMARJQXSA-N	206.673	-0.560	50	10	BBGE	
C=C(Cl)Cn1cccc(B(O)O)c1=O	1885133423	WCFAPJQUTYSWEX-UHFFFAOYSA-N	213.429	-0.719	50	10	BBGE	
NCc1nc(NC(=O)[C@@H]2C[C@H]2Cl)n[nH]1	1893462025	VKGBDHOBYNBFKY-QWWZWVQMSA-N	215.644	-0.171	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cccc(C#N)c1=O	1894126015	QEORZPNDTMRTEJ-ZETCQYMHSA-N	220.232	-0.339	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@H]1F	1895382028	PESXNKHOORTLCW-RNFRBKRXSA-N	224.000	-0.942	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H](F)C2)CC1	1900252676	VTHYSJPXUKHMCC-QMMMGPOBSA-N	231.271	-0.573	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COC2(C)CC1C2	1900578630	XGJXGEOHVHIUPU-YUCVTWSNSA-N	227.308	-0.277	50	10	BBGE	
CNC[C@@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901348414	IPLASBBSEWBLFK-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1901751870	JHDYYDOLYSYTFJ-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@H](C)[C@H](C)C(=O)NN	1902092851	VACFTDIJFIXYKP-IVZWLZJFSA-N	231.340	-0.050	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H](C)C(N)=O)C(=O)NN	1902715732	KDTWQVGTJBKVTF-XCBNKYQSSA-N	230.312	-0.802	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cccc(-c2nn[nH]n2)c1	1906069683	RDOYNOOHWDRSBS-DTWKUNHWSA-N	230.231	-0.249	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ncc(B(O)O)cc1F)C2	1907078636	BDTIFJQZVRXCCT-WRWORJQWSA-N	236.055	-0.253	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C[C@H](O)CCl)C[C@H]21	1911061090	ONLOJAMGXYPDJC-BWZBUEFSSA-N	234.683	-0.279	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1CC=CCO1	1913624583	DIXIFCTWHSDASJ-SECBINFHSA-N	248.047	-0.955	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CCOC2)C1	1915583323	OIZNWYJUWDQTJN-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccccc1=O	1927911046	LLCZUYCKMYTROT-SFYZADRCSA-N	207.233	-0.526	50	10	BBGE	
CC1(C)CN(S(=O)(=O)CCl)CC(=O)N1	1930692978	MRGZXXWDQLPJEN-UHFFFAOYSA-N	240.712	-0.277	50	10	BBGE	
NC(=S)NNC(=O)c1csc2cncn12	1931345531	OALPECFDTWIITK-UHFFFAOYSA-N	241.301	-0.126	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H](CC1=O)C2(F)F	1931861817	ZHSZKUUKJVYFSS-WHFBIAKZSA-N	219.191	-0.910	50	10	BBGE	
C[C@H](CN1CCOC(F)(F)C1)C(=O)NN	1932125878	DVWVPBWAVKOUHL-ZCFIWIBFSA-N	223.223	-0.463	50	10	BBGE	
CC(C)N(CCCO)C[C@@H]1C[C@@H]1C(=O)NN	1936095327	WACMAMCQQLNZRG-UWVGGRQHSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(CN1C[C@H]2C(CO)[C@@H]2C1)C(=O)NN	1937461373	ROICTBSFOUWHDE-HTQZYQBOSA-N	227.308	-0.827	50	10	BBGE	
CC[C@H](OC[C@@H]1COCCCO1)C(=O)NN	1939103336	XKKVDZTUHLMGRC-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
CN(CCN1CCCC1)C[C@@H]1C[C@@H]1C(=O)NN	1941086134	HJXSFJVAVFOGPR-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COC[C@@H]2C1	1941089914	MFPYCWOWXGBTNT-ZRUFSTJUSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCn2nccc2C1	1941184428	UIUYJTGYCFCFKQ-PSASIEDQSA-N	235.291	-0.675	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(=O)C[C@@H]1C	1944361376	VOVKDTCSQJZOIE-YUMQZZPRSA-N	241.291	-0.547	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C[C@H]1C[C@H]1C(=O)NN	1946257237	OLORKRIXMPUVGB-KXUCPTDWSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1cncc(B(O)O)c1	1947086126	NMTRNMZFOUJOCT-KWQFWETISA-N	237.064	-0.435	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnccn2)C1	1951320214	GINHXQYYJLTDGG-MRVPVSSYSA-N	207.042	-0.475	50	10	BBGE	
C=CCCOCCn1ccc(B(O)O)n1	1959863676	YWSFNOUTAVFPRU-UHFFFAOYSA-N	210.042	-0.844	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C(F)(F)C12CC2	1960447740	FKRNAGGGQJXIHC-ZCFIWIBFSA-N	219.235	-0.047	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)[C@@H]2C[C@H]21	1960954384	YUEZFTGVQYHKTQ-RNFRBKRXSA-N	231.683	-0.150	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](N)C[C@H](C(N)=O)C1	1962267631	NDQPIZXWMRMNRM-FXQIFTODSA-N	230.699	-0.748	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1c(C)n[nH]c1C	1962325931	UWYPFCFZCUEGGM-UHFFFAOYSA-N	232.265	-0.644	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(CO)CC(C)C1	1978669026	FIWXKPOJPXILCO-INWMGODYSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCCCN1CC=C[C@H](O)C1	1978919755	NOEUVXSBIRIHCZ-JTQLQIEISA-N	227.308	-0.231	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)CC12CC2)C(=O)NN	1980718098	DIEOMIFLURAWKY-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CC1(C)C	1981411845	OVWUIHVMBRVMIT-SECBINFHSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@@H]3C2)nc1	1981413125	BOZBRKFVNILPQI-JGVFFNPUSA-N	219.053	-0.997	50	10	BBGE	
COCCN(C)c1nccc(C)c1B(O)O	1981414840	WUMRDNAVDKSQPH-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CCCOC1	1981431158	WHSPBSMXKPNERX-MRVPVSSYSA-N	223.037	-0.681	50	10	BBGE	
NNC(=O)C1(COCCn2ccnc2)CC1	1986444686	CTAKEHJJYRICPB-UHFFFAOYSA-N	224.264	-0.330	50	10	BBGE	
C[C@H](CN1CC(C)(C[S@@](C)=O)C1)C(=O)NN	1987036770	HJOPPDGFEYTJBR-VPTHRUTESA-N	247.364	-0.687	50	10	BBGE	
CCO[C@H]1CCN(CC(=O)NNC(C)=O)C1	1990773961	CDWWCMITNMUTBD-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
C[C@H]1OCC[C@]1(O)CNC(=O)C=CC(=O)Cl	1991652929	SWJBKHPYUOLZIK-XCBNKYQSSA-N	247.678	-0.036	50	10	BBGE	
N=C(NO)c1c[nH][nH]c1=NC(=O)[C@@H]1C[C@@H]1Cl	1991684145	AFZGBQRTJOGVCM-WUJLRWPWSA-N	243.654	-0.298	50	10	BBGE	
O=C(CC(F)(F)C(F)F)NCC#CB(O)O	1992134167	JGJCZVQEQLEEHJ-UHFFFAOYSA-N	240.949	-0.592	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOCCO1	1992316927	UIGRUHFEOWJZKI-QMMMGPOBSA-N	231.296	-0.345	50	10	BBGE	
NNC(=O)CN1C(=O)C2(CCC2)C12CCC2	1992374903	SETGQKJJPFXZBW-UHFFFAOYSA-N	223.276	-0.089	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	1992836373	MMXXJOGXTDKHRX-XVKPBYJWSA-N	219.049	-0.495	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC([C@H](F)CO)CC1	1999598401	CYFLSDRCQLJXGM-NXEZZACHSA-N	247.314	-0.203	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)CC12CC2	2003759484	QTFCYKPRXWKDQZ-SECBINFHSA-N	241.291	-0.857	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3C[C@@H]3C2)c1B(O)O	2004918331	KJANYVSEALITLH-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
COC[C@@H]1CCN(c2ncccc2B(O)O)C1	2004934523	GHGVTGAABZQQSQ-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2C[C@@H]2C)n1	2005014554	NDTPPVCBVDXBOT-CBAPKCEASA-N	235.096	-0.443	50	10	BBGE	
CCO[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	2006338523	IFCCDJQSPIDYLE-BDAKNGLRSA-N	243.307	-0.360	50	10	BBGE	
Cc1oc(CN2C[C@@H](O)[C@@H]2C)cc1C(=O)NN	2011374681	TXINGKJXKMDQMV-QUBYGPBYSA-N	239.275	-0.243	50	10	BBGE	
Cc1ncn(C)c1CN(C)C[C@H](C)C(=O)NN	2014922891	XPJKUHDVRTXUCS-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CCCCO1	2020061863	LOYDRCKBSFCRFY-ZJUUUORDSA-N	239.080	-0.228	50	10	BBGE	
CCc1c(C(=O)NCC=CB(O)O)cnn1C	2020067703	KDSNNIGCJVSRGH-UHFFFAOYSA-N	237.068	-0.720	50	10	BBGE	
Cc1cccc(C(=O)NCC#CB(O)O)c1O	2021163074	ONPXAGNNLKIXHI-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
O=C(NCC=CB(O)O)C12COC(CF)(C1)C2	2023812649	HDERDTTVBWPAQQ-UHFFFAOYSA-N	243.043	-0.811	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@H]1C[C@@H]1C(=O)NN	2028055036	ZVDGTLMIMLLTMF-ZJUUUORDSA-N	246.270	-0.346	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@H]3CCOC[C@@H]32)c1	2032790675	UFVXEWUIWQPEIL-SDDRHHMPSA-N	249.075	-0.577	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)c1ccc(B(O)O)cn1	2052468046	YMPWQUPPSDCDOO-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ncc(B(O)O)cn1	2052473838	XTGWWJRXNPELBN-OWUUHHOZSA-N	247.107	-0.361	50	10	BBGE	
Cc1nc(N(C)[C@@H]2[C@H]3CCC[C@H]32)ncc1B(O)O	2052558316	CEHYZVIYXXIMAS-JZYVYDRUSA-N	247.107	-0.300	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCOCC12CC2	2052627967	TXCDVKINSPUPSD-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(F)c1B(O)O	2060129600	PNMDIXADOQIKDL-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
OB(O)c1ccccc1COCCn1ccnc1	2064610279	PCDPJJIWTVGLHP-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3COCC[C@@H]32)c1	2073060833	KWARSTVEJBPDBI-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1ccc(COC[C@@H]2[C@H]3COC[C@H]32)cc1	2080347337	RRPRBHYGGBMYSC-XYYAHUGASA-N	248.087	-0.225	50	10	BBGE	
CN1Cc2cc(B(O)O)ccc2NC1=O	2086848072	ZYEMPZKENZLEGY-UHFFFAOYSA-N	206.010	-0.656	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1Cc1nscc1B(O)O	2211136011	NVZRYRXCAICFAZ-RNFRBKRXSA-N	244.100	-0.245	50	10	BBGE	
C[C@H]1CC[C@H]1Cn1cc(B(O)O)ccc1=O	2211480341	IRYJDCASJPAYOF-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
CC[C@](C)(N)COc1ccc(B(O)O)cn1	2212600927	ZYCODZSXMVMCHQ-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)ccn1)[C@H](C)O	2212614905	IDMUTSASLYRHRG-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
CN(CC(=O)NN)C[C@H](O)c1cccc(O)c1	2213760132	AQBPXMGJBTZFJH-JTQLQIEISA-N	239.275	-0.653	50	10	BBGE	
CC(C)[C@@H](Oc1ncccc1B(O)O)[C@@H](C)N	2217171621	FHXFQXRBOCWEQY-PSASIEDQSA-N	238.096	-0.488	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCC[C@H](O)C2)nc1	2217176851	BDVGRCVXQKVTRI-ZJUUUORDSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCO1	2217177409	ISIUXVFOUFMKJN-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217179092	GGHJNWAGHVHFRC-BDAKNGLRSA-N	238.096	-0.095	50	10	BBGE	
CC[C@@](C)(COC)Nc1ccc(B(O)O)cn1	2217184669	QUCGEKRDCFDVAD-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
C[C@H]1CCNC[C@H]1Oc1ccc(B(O)O)cn1	2217184996	XLNDEWAARWNPOZ-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCNC2)c1F	2217185875	CIJLSCFAVDXMJB-ZETCQYMHSA-N	240.043	-0.969	50	10	BBGE	
NCCC(F)(F)COc1ccc(B(O)O)cn1	2217185885	CKWAJRYPVNAVKV-UHFFFAOYSA-N	246.022	-0.876	50	10	BBGE	
CCC[C@@H](N)CCOc1ncc(B(O)O)cn1	2217193930	YMCLNWDVBNYPIW-SECBINFHSA-N	239.084	-0.947	50	10	BBGE	
OB(O)c1cccnc1N1CCCC[C@H](O)C1	2217195802	NRAKUXJADNJXEU-VIFPVBQESA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3CCOC[C@H]32)nc1	2217196832	IHTVEYFLOFTZJX-FXPVBKGRSA-N	234.064	-0.792	50	10	BBGE	
COc1ccc(Nc2ccc(B(O)O)cn2)cn1	2223639947	UEZFUCMHMUHHJP-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@@H](N)C2)cc1B(O)O	2223651017	UKUMPTGRUDHDKO-NXEZZACHSA-N	249.123	-0.391	50	10	BBGE	
C[C@H](Cl)CC(=O)n1c(=O)cc(O)n(C)c1=O	2243050465	UKDJURGVAUKEJI-YFKPBYRVSA-N	246.650	-0.090	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)o1	2243348973	CRZIXBPILCJYIS-ZETCQYMHSA-N	221.021	-0.758	50	10	BBGE	
CCNC(=O)c1ccc(OC)c(B(O)O)c1	2243366718	HXJYGVZHKDQGQH-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1sccc1B(O)O	2243376753	OSCLUHQWNNNAOW-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
Cc1nnc(NC(=O)C2CC(B(O)O)C2)o1	2243390891	CNGJISMDAOBDNW-UHFFFAOYSA-N	225.013	-0.430	50	10	BBGE	
CCCN(CCCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243391119	GPKVPMXXSIBXKY-IUCAKERBSA-N	229.085	-0.530	50	10	BBGE	
CCCN(C)C(=O)c1ncccc1B(O)O	2243407127	LWBYVZHQVORYDA-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)C1(B(O)O)CC1	2243411086	NLKIFOJPIBRIKN-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC=C[C@H]1CF	2243415797	BXPKGRUOOFQUCC-YIZRAAEISA-N	227.044	-0.024	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccoc1B(O)O	2244150660	GLXPBYMRSMKGOU-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
Cc1conc1C(=O)NCCC#CB(O)O	2244547198	WSWHVRRZGFFKLM-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
O=C(NNCCO)c1ccn(C(F)(F)F)n1	2245940369	MELXSGUKUBSSSD-UHFFFAOYSA-N	238.169	-0.414	50	10	BBGE	
COc1ccc(B(O)O)c(-n2cnc(C)c2)n1	2247141931	QWVUNNMCXKIMOS-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCCCO2)n1	2247234717	FPVQVYBCWUTSSP-UHFFFAOYSA-N	238.052	-0.698	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1coc(B(O)O)c1	2247723641	VADUJYJHZKTQBH-QMMMGPOBSA-N	235.048	-0.368	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1coc(B(O)O)c1	2247731987	BPFIEHKHVVQVEL-SFYZADRCSA-N	241.027	-0.420	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1CNC(=O)C#CB(O)O	2247741463	ACSYSGABJASBGC-SVRRBLITSA-N	248.997	-0.294	50	10	BBGE	
C[C@@](N)(CNC(=O)C1(B(O)O)CC1)C1CCC1	2247754381	GHVQGGJUAFHXTL-SNVBAGLBSA-N	240.112	-0.373	50	10	BBGE	
CC(C)ONC(=O)c1ccc(B(O)O)cc1F	2247758909	NABZSAPAIWRJCD-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
CCCN(C)C(=O)c1ccc(F)c(B(O)O)c1	2247760832	OKDGCYFLIDYGGE-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)cn1C	2247762235	CRCDTTXFONZXEF-APPZFPTMSA-N	236.080	-0.767	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247796888	DRIDIZKOIHUZRG-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2247797245	HOZLHXHCVIABDL-HRDYMLBCSA-N	243.112	-0.237	50	10	BBGE	
CC(C)N1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247805129	JODBRRPOFOXQTQ-KYZUINATSA-N	240.112	-0.552	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)ncn1	2247809822	RMLSCFDSKZGCOG-BQBZGAKWSA-N	232.008	-0.850	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2247848425	LSDLYHZBZOQOSP-LKEWCRSYSA-N	243.018	-0.591	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(C(=O)O)c1	2247850273	MFQGCVSUBMQOSC-UHFFFAOYSA-N	232.988	-0.661	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2COCC[C@@H]21	2247855307	QFLMZCDNMHXKAA-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1C(=O)C1(B(O)O)CCC1	2247876998	AGQABUHKDLQSNT-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247878171	LZJWVRCJJCLPGV-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC1([C@H]2CCCO2)CC1)C1(B(O)O)CC1	2247879915	ZDGQIKWPYZFLQW-MRVPVSSYSA-N	239.080	-0.179	50	10	BBGE	
CCCN(CC(=O)OC)C(=O)[C@H]1C[C@@H]1B(O)O	2247895186	PPBCUKFIDKLXOU-YUMQZZPRSA-N	243.068	-0.739	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)nc1	2247895581	UESUNJGMWHPHMA-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
CC(C)N1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247896667	IWWQUMUTIHSJHQ-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897050	NMERESSPOCMWTI-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247897828	XGACAWCLWHEBOE-RXKWGBCNSA-N	239.080	-0.610	50	10	BBGE	
CON(C)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247910268	OANNZLCPWZUYNA-DTORHVGOSA-N	244.100	-0.761	50	10	BBGE	
C[C@@H](CF)NC(=O)c1ccc(B(O)O)cc1O	2247985699	LIBYKGUVUNQYQR-LURJTMIESA-N	241.027	-0.840	50	10	BBGE	
CC#CCC(=O)Nc1ccc(B(O)O)cc1F	2248443040	LVTHYUVOUFMLBY-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2248576888	JKDSXJSUDDHAJL-JECWYVHBSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248578111	QFHJGHFVJJWJQO-KTSQROGYSA-N	247.031	-0.833	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1cocc1B(O)O	2249418187	PYRNSESEQACZDQ-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
COC(=O)NCCc1c(F)cccc1B(O)O	2251378240	SGUIZPAEKAASGF-UHFFFAOYSA-N	241.027	-0.596	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(OC)cc1B(O)O	2255526324	RYHMCFJZHGWZLM-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
CCC=C1CCN(C(=O)c2n[nH]cc2B(O)O)C1	2255553639	BCHZDCWITKJDQT-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC2CC1C2	2255687027	ANBQRGNRCQBTFU-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C1(C)CCC1	2255691736	PLECLRKYMFBUPH-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2255727505	QOZUHCNDVAJHMK-IAZYJMLFSA-N	245.087	-0.187	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COCC[C@H]21)C1CC(B(O)O)C1	2298371448	LMLMYNIBAKVTSX-UHRRMTARSA-N	239.080	-0.610	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@@H]1CCO1	2302411381	WFEIOTXDTRXISE-JTQLQIEISA-N	236.080	-0.705	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C(C)(C)CN	2303837228	XJKJBRGKKFCPOH-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
NNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-]	15773352	UVIZQMDTBGETRH-UHFFFAOYSA-N	224.176	-0.477	50	10	BBGE	
NC(=O)N/N=C1\N=C(N)c2ccccc21	33960847	VQIOSVGBOBUBMK-UHFFFAOYSA-N	203.205	-0.265	50	10	BBGE	
COCCNC(=O)CCNC(=O)CCCl	41691607	WBHFWHYTFJCITR-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C=O)CC1	54238711	QDHGGTILSNFKNC-UHFFFAOYSA-N	227.264	-0.935	50	10	BBGE	
CC(C)N1CCN(CCCC(=O)NN)CC1	82467861	HZKRRPAUBZBDED-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]2CCC[C@@H]21	82469830	HBCVSFMQQAYWKT-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CCCCN(CCCC(=O)NN)CC(N)=O	82469858	XSCJEVOTNNCKAW-UHFFFAOYSA-N	230.312	-0.656	50	10	BBGE	
CCCN(CCO)[C@@H](CC)C(=O)NN	82469870	LIDNYZGSJPALIP-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
Cc1ccc(=O)n(CC(C)(C)C(=O)NN)n1	86598208	UZCDXRBKZVCKCM-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(C(=O)NC)CC1	110592901	WSKZMWVQDPKRSO-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CCO[C@H]1C(=O)NNC(N)=S	125183802	YPNLXPXZJXLHBK-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](CCO)C1	159981038	AHWWMSUJZHXVTA-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CCN(C)c1cnn(CCC(=O)NN)c(=O)c1	165663855	KAAFFYMNANCOQI-UHFFFAOYSA-N	239.279	-0.921	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@H](C)CCl	168630148	MKZGWRXFOHIJRF-SCSAIBSYSA-N	230.673	-0.196	50	10	BBGE	
CCC[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	202352066	LVJQJXNVLIWBJD-SFYZADRCSA-N	214.074	-0.883	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)N1CCCCC1	217259080	VZNRXSNRXAZVPD-KTKRTIGZSA-N	223.276	-0.012	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](CO)C1	226494547	RMHXJPJBPGSPMF-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
C[C@]1(C(N)=O)CCN(C(=O)CCl)C1	235744129	KRYUFNPQRJHRPC-QMMMGPOBSA-N	204.657	-0.051	50	10	BBGE	
O=S(=O)(CCCl)Nc1nnc[nH]1	236036833	HWEHACDGFKEHPF-UHFFFAOYSA-N	210.646	-0.215	50	10	BBGE	
CNNC(=O)COC[C@H]1CCN(C)C1	259071736	YEKJYOONKYNUNF-QMMMGPOBSA-N	201.270	-0.795	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](CO)O[C@H](C)C1	299970370	UDXAAMSWQDVWRN-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
CCNC(=O)CSCCC(=O)NN	300880491	SFIMHDKLBNGIBY-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
OB(O)c1cc(Br)c(O)cc1F	307262829	XUMWLMFHFULEIQ-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COC[C@@H]1Cl	307588743	YJPYHSJHLBPGOY-NTSWFWBYSA-N	228.701	-0.611	50	10	BBGE	
COC(=O)NCCNC(=O)NC(=O)CCl	308136180	FOOVIJLKRIWDPX-UHFFFAOYSA-N	237.643	-0.593	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCC2)CC1	308727629	NODCZXIQLCEDFT-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
OB(O)c1ccc([C@H]2CCCNC2)c(F)c1	309496758	DVHDECLKMFROOB-QMMMGPOBSA-N	223.056	-0.028	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C[C@H](C)C(=O)NN	385731506	AOMZKGYWLVAUQQ-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(CN)C1	389692376	HXMPEIVKJNKBHD-WCBMZHEXSA-N	214.313	-0.574	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CC=CC1	392282290	JUONXWHXPWYQIQ-UHFFFAOYSA-N	231.683	-0.077	50	10	BBGE	
O=S(=O)(CCCl)N[C@@]1(CO)CCOC1	393915424	WYQZODKQNFXCLT-SSDOTTSWSA-N	243.712	-0.704	50	10	BBGE	
CC(C)C1(O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	394906062	JQUQSUUBLDTMKZ-RKDXNWHRSA-N	229.324	-0.296	50	10	BBGE	
CC(C)(C)[C@H](SC[C@H](O)CO)C(=O)NN	396043742	UIBOANYPIIGKEP-RNFRBKRXSA-N	236.337	-0.523	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(B(O)O)c(CO)c1	396058592	NREJNZMBGFEKFY-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccoc1	404924625	YYRZGNBAKCKBQE-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C=CCNC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405059112	AZNKDWIHCLNCJE-SECBINFHSA-N	248.091	-0.087	50	10	BBGE	
C=CC(=O)NCCC(=O)NNC(=O)C1CC1	490644589	GCYKFPSXEPNKHG-UHFFFAOYSA-N	225.248	-0.764	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1CC(=O)NN	688640294	PAQYTKTXYVNEEN-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
CS(=O)(=O)NCCCNC(=O)OCCl	692807156	CLMOFVBRZVNXBL-UHFFFAOYSA-N	244.700	-0.152	50	10	BBGE	
OB(O)c1ccn(CCC[C@@H]2CCOC2)n1	694273670	ZAIKBSHNKXLSHJ-SECBINFHSA-N	224.069	-0.620	50	10	BBGE	
CN(C)CCCOc1c(F)cccc1B(O)O	707077269	XHBGIDBBOMXGPQ-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
C[C@H]1N(C(=O)C(=O)NN)CCOC1(C)C	707277592	BYPKMOKVIQCBRW-ZCFIWIBFSA-N	215.253	-0.998	50	10	BBGE	
Cc1nn(C)cc1CN(C)CCCC(=O)NN	716411613	AUQXRHYTDDDAQN-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
CCn1nccc1C=NNC(=O)c1cn(C)nn1	853385698	HIVIDSAQOYXQFI-UHFFFAOYSA-N	247.262	-0.205	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)c1cn[nH]c1	862469421	JTGUWSBVCUHMHQ-SNVBAGLBSA-N	240.263	-0.421	50	10	BBGE	
CN(CCCl)S(=O)(=O)c1cnnn1C	888082204	PVFHHMOROPZERY-UHFFFAOYSA-N	238.700	-0.326	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ncccc1N	910182064	HKXBRXMPVNCACZ-ZETCQYMHSA-N	224.264	-0.379	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CC(=O)N(C)N1	953096174	KEPICJVBIPJEID-RITPCOANSA-N	219.672	-0.535	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](O)c1ccccn1	1120589363	CIFFZNQNHLRMJL-VIFPVBQESA-N	237.259	-0.082	50	10	BBGE	
O=C(NNc1ccncn1)c1cnnc(O)c1	1158665687	OTTIWTZVPKGBFI-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
COC[C@@H](O)CNC(=O)NNC(=O)C(C)(C)C	1357139746	WAXNCJLUDGGSGT-ZETCQYMHSA-N	247.295	-0.630	50	10	BBGE	
CC(=O)NNC(=O)c1cn(C)ccc1=O	1463826724	BTKQIONUQNWEHO-UHFFFAOYSA-N	209.205	-0.834	50	10	BBGE	
CN(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(N)=O	1545887851	QVMJHHJMNLNIPN-FPYGCLRLSA-N	248.246	-0.631	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)cc1	1633930763	HJRIVGIPWXRDJC-UHFFFAOYSA-N	217.033	-0.928	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)[C@H](C)CO	1640026571	VIEJRMFRIBFVFS-RKDXNWHRSA-N	215.297	-0.576	50	10	BBGE	
COc1cncc(C(=O)NNC(=O)CO)c1C	1648686983	YGHJCCWYECZYCR-UHFFFAOYSA-N	239.231	-0.848	50	10	BBGE	
CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NN	1879962615	CTRLGNHGSKDAEA-ZCFIWIBFSA-N	233.268	-0.748	50	10	BBGE	
O=S(=O)(CCCl)N1CCOCCO1	1883771198	GIOBMWOETMUPNZ-UHFFFAOYSA-N	229.685	-0.181	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](NC[C@H]2CCO2)C1	1885009017	GDTUFGQUPOHAQM-GJMOJQLCSA-N	239.724	-0.231	50	10	BBGE	
C#Cc1c(C)c(B(O)O)c(C)c(C(=O)O)c1C	1887515797	XZWJMLBSCDVQQN-UHFFFAOYSA-N	232.044	-0.029	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOCCN1	1893405197	MZVUFYVVMCIXJA-UHFFFAOYSA-N	218.640	-0.329	50	10	BBGE	
C[C@H](CO[C@H]1CN2CCC1CC2)C(=O)NN	1901439851	KOWIMPWYRWLRRH-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@]23CCOC[C@@H]2C3)C1	1902506353	RVLUDAYGTTXLEQ-HBNTYKKESA-N	225.097	-0.038	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902521046	FETXDYPHDIWKGK-DJLDLDEBSA-N	227.069	-0.656	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907268291	FREMUKXXIADEQM-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H](C)C(=O)NN)C1=O	1912214924	AKSSCRNSLHHIKR-NTSWFWBYSA-N	213.237	-0.993	50	10	BBGE	
COC[C@H](O[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)NN	1913347467	BNYDTIVOHUAQKF-QEYWKRMJSA-N	226.276	-0.028	50	10	BBGE	
CC[S@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1913890817	WXEYYFZPACBNDS-JKBMUGKNSA-N	219.310	-0.270	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914254717	HHSAHQIILJOYQN-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCCO)CCCO	1922186412	RLYFHHPJIBTUHV-UWVGGRQHSA-N	247.339	-0.932	50	10	BBGE	
CC[C@H](NNC(=O)C(F)(F)F)C(N)=O	1923448888	UZXMFKPYSICAQP-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
Cc1cn(CC(F)(F)C(=O)NN)c(O)n1	1927812702	OFHIUFITZCSTQN-UHFFFAOYSA-N	220.179	-0.478	50	10	BBGE	
N#Cc1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c1	1927910048	CCRICBTYOJYUOP-YUMQZZPRSA-N	205.221	-0.619	50	10	BBGE	
CCOCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1927912761	AICXCUPNHAJFOH-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)NNC(N)=O	1934055100	ROUJGTWCSUSAJT-QMMMGPOBSA-N	200.242	-0.830	50	10	BBGE	
Cn1ncc([C@@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934429114	XBIZJAVBWSWOEA-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CCCOC1	1935930508	UJSUAPYHXRDUHG-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2COC[C@H]2C1	1936080638	JYXOJVCWAGULRK-AXTSPUMRSA-N	225.292	-0.809	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936090633	JATHIVKCHJUCML-QEYWKRMJSA-N	227.308	-0.421	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	1937461448	SKCPRGFESBEUDJ-NQMVMOMDSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(CN2CCC(CO)CC2)CC1	1938245798	AQIQMEGWSWXNBJ-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
CN(C)[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1938247416	SRPYZTFRJBYWJZ-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1CC1CC1	1939134577	BPQPUUCZZMICGH-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H](C)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1940578730	RNNHEOZYDAUSPB-IUCAKERBSA-N	241.291	-0.774	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1COCCCO1)C(=O)NN	1948400981	QQNHFQPALJTJBT-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
OB(O)[C@@H]1CCN(CC2CCOCC2)C1	1951320686	PRFQBCFROWZUBF-SNVBAGLBSA-N	213.086	-0.038	50	10	BBGE	
C#CC1(O)CN(C[C@@H](O)CBr)C1	1953619138	ZUXWPERBXHVGOB-ZETCQYMHSA-N	234.093	-0.578	50	10	BBGE	
CC(C)(C)N1CCC[C@@](N)(B(O)O)C1	1955278779	QZGPTYZZGXRLTB-VIFPVBQESA-N	200.091	-0.410	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCNS(C)(=O)=O	1955560092	WSJHQXOHFWQRKF-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
O=C(NC1CN(C2COC2)C1)OCCl	1956848973	OSWKJJAZWUUOGK-UHFFFAOYSA-N	220.656	-0.008	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@@H]1CC(=O)NC1=O	1956859754	ZXMRJJPUBPSWPV-PHDIDXHHSA-N	215.640	-0.536	50	10	BBGE	
NNC(=O)C(=O)NC1[C@H]2CCCCC[C@H]12	1960590676	VMRPMVJOMGJYBM-BQBZGAKWSA-N	211.265	-0.329	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C(=O)CCl)CC[C@@H]21	1961457390	UAVZPCMSVNVIGD-RQJHMYQMSA-N	231.683	-0.150	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C)(C#N)CC1	1961473136	YOEYQGAVKRURFX-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
CC(F)(F)COc1ncccc1B(O)O	1961711636	FWRNESKKZGERQY-UHFFFAOYSA-N	216.980	-0.205	50	10	BBGE	
CCOCOc1ccc(F)c(B(O)O)c1	1961734001	FZNXGSDUWHMELG-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1962322152	LMXAQPKEVFDEHW-BGZDPUMWSA-N	213.281	-0.811	50	10	BBGE	
CO[C@H]1C=C[C@@H](N2CC(=O)OC(=O)C2)C1	1974715696	ZSZQRLJOCYCMDQ-SFYZADRCSA-N	211.217	-0.285	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CCCOC2)C1	1981044914	FIDXQFQMTHHDNR-LLVKDONJSA-N	227.308	-0.131	50	10	BBGE	
C[C@@H]1C[S@@](=O)CCN1CC1(C(=O)NN)CC1	1981192364	QWRLAWXLOOMUQN-BCTVWOGZSA-N	245.348	-0.791	50	10	BBGE	
OB(O)c1cncnc1N1CCCC12CC2	1981414767	VXRWVTVTHMMORW-UHFFFAOYSA-N	219.053	-0.711	50	10	BBGE	
CC(C)OCCOc1ncccc1B(O)O	1981431404	YSGPMRUNRNQHNZ-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
Cc1nn(-c2ccc(B(O)O)cn2)cc1Cl	1981465162	KRTNMFYAUIWYRT-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CON(c1ncc(B(O)O)cc1F)C(C)C	1981469486	TTYGDOPHVPOSDZ-UHFFFAOYSA-N	228.032	-0.323	50	10	BBGE	
Cc1nc(OCCN(C)C)ccc1B(O)O	1982815330	YQTXLAXOIVJDNB-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
COC(=O)NCCc1ccc(B(O)O)cc1	1984064863	NASLKWWGFZDTFL-UHFFFAOYSA-N	223.037	-0.735	50	10	BBGE	
CC[C@@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	1984101239	JUALZVCDNPVIBQ-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC1CC2(COC2)C1	1985544085	OCRODWHHZQCAHN-VXNVDRBHSA-N	226.276	-0.192	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1985770796	YOTSPBOTJNLFQO-RNJXMRFFSA-N	237.250	-0.627	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCc2nccn21	1986960742	DDALMGCGKAWACD-MRVPVSSYSA-N	224.264	-0.626	50	10	BBGE	
C=CCC(C)(C)Oc1ncncc1B(O)O	1987416214	VFBRZVVLTFMMAR-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
Cc1ccnnc1CN1CC(=O)OC(=O)C1	1989763740	LEWGAEPHCLUNJZ-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1991687535	KRSOPKBRKDDESY-DSYKOEDSSA-N	244.678	-0.123	50	10	BBGE	
CO[C@H]1CN[C@@H](CNC(=O)/C=C/C(=O)Cl)C1	1991715425	UOSKJGIJMKBJBR-YEMZYZDBSA-N	246.694	-0.199	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC12CC(CO)C2	1997988370	XSGIAPWDDBKNSG-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
CC1(C)CCN(c2ncc(B(O)O)cn2)CC1	2004912633	WGZNIDDGBIQQKA-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1cnc(-n2cncn2)c2sccc12	2005005216	OBBOTJHNLPYABJ-UHFFFAOYSA-N	246.060	-0.443	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)[C@H]1C[C@H](O)C1	2009405489	ZNJHMDKDKHZOAJ-KYZUINATSA-N	239.275	-0.162	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](CO)C2)C(=O)NN	2012638827	DMSBEVLPYOKYID-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
C=C[C@@]1(O)CCN(CCC(F)(F)C(=O)NN)C1	2018852489	WACSRKZIWXQKNS-SECBINFHSA-N	249.261	-0.376	50	10	BBGE	
OB(O)c1cncnc1OCCC1(F)CCC1	2025259046	CXDVCLRMRSDSTH-UHFFFAOYSA-N	240.043	-0.183	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	2043291185	ZUAIVGNCABYTDA-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
O=Cc1cc(OC(F)F)cc(B(O)O)c1F	2060260872	GIFQJRJODVJDDU-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1OC	2060323865	JZUJQCJZIFLZGX-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071241076	NTXVKKVGXFVPGO-IYTULZNGSA-N	245.087	-0.570	50	10	BBGE	
C[C@]12C[C@](Cn3cc(B(O)O)ccc3=O)(CO1)C2	2082655301	JAYRICQSMILXDM-TXEJJXNPSA-N	249.075	-0.903	50	10	BBGE	
CC[C@@H](S[C@@H]1CCNC1)C(=O)NN	2209390761	ATYFMJWIAUMSAH-RNFRBKRXSA-N	203.311	-0.150	50	10	BBGE	
C[C@@]1(CO)CCN1CC1(C(=O)NN)CCC1	2212244979	DUEFDHATCZVZBT-JTQLQIEISA-N	227.308	-0.397	50	10	BBGE	
C#CC[C@H](CC)Nc1ncccc1B(O)O	2212606008	MYYNNZTVCRQFDP-VIFPVBQESA-N	218.065	-0.025	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C(C)(F)F	2212612687	NHCWEGRZPRSINJ-YFKPBYRVSA-N	231.011	-0.388	50	10	BBGE	
CCN1CC[C@H](Oc2ncccc2B(O)O)C1	2216491451	WBCMBDPHRUMYKJ-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CC1(C)NCC[C@@H]1Oc1ncccc1B(O)O	2217168561	VPHMDZFTKWZQDY-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1ccnc(NCCN2CCC2)c1F	2217180858	LKAKPUACGOFGIL-UHFFFAOYSA-N	239.059	-0.982	50	10	BBGE	
NC1CC(F)(CNc2cc(B(O)O)ccn2)C1	2217181795	VEQDEEUTCQMCHE-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
C[C@]1(CO)C[C@H](Nc2cc(B(O)O)ccn2)C1	2217200398	KEKXNEOAUMKHNU-HOMQSWHASA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(NCc2cncn2C)cc1B(O)O	2223640373	KXZAXYVNGSUEAI-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
CN(CC1CCNCC1)c1cc(B(O)O)ccn1	2223646665	NZUUCJYEQGARGR-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
Cc1cnc(N2CC[C@H]([C@H](C)N)C2)cc1B(O)O	2223649208	VOYJMAQSIBEMRR-UWVGGRQHSA-N	249.123	-0.757	50	10	BBGE	
O=C(NC1CSC1)[C@@H]1C[C@@H]1B(O)O	2241496882	XEWAKKRZFJYUBH-RITPCOANSA-N	201.056	-0.919	50	10	BBGE	
OB(O)c1ccc(=NCC=CCl)[nH]c1	2242572392	WOINXYGGMJEERP-UHFFFAOYSA-N	212.445	-0.652	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2243358119	CILDHESNPMRNLT-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
C[C@H](C1CNC1)N(C)C(=O)C1(B(O)O)CC1	2243363799	MPXYMSXYDJNTQA-SSDOTTSWSA-N	226.085	-0.940	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CC=CC2)s1	2243381136	CKAKPXYBCNFYLU-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
CC[C@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243382068	LFTGULHHYQHEQU-CIUDSAMLSA-N	229.085	-0.626	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@@H]1B(O)O	2243396712	PTGXJEFGMONVEP-XGEHTFHBSA-N	227.069	-0.731	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2CCC[C@H]21	2243400425	ARIFSIPPCHTCBL-OPRDCNLKSA-N	221.065	-0.351	50	10	BBGE	
O=C(C#CB(O)O)NC12CCCC1CCC2	2243401780	WNIRPVRJMOBZRH-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243409286	FMTFMFOVNHTPDG-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243410640	FNUUOFFQKFUUHA-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
C[C@@H]1C(NC(=O)c2sncc2B(O)O)[C@H]1C	2243415588	YDMGLTJWYDEBFP-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
C[C@H](O)C(=O)Nc1cc(B(O)O)ccc1Cl	2243685127	NPTIUGLFUWZLMD-YFKPBYRVSA-N	243.455	-0.661	50	10	BBGE	
NC(=O)c1nc(Cn2cnnc2CCl)no1	2244165690	VJMXUFKLEZNKAO-UHFFFAOYSA-N	242.626	-0.453	50	10	BBGE	
CCC/C=C/CNC(=O)c1cc(B(O)O)c[nH]1	2247746702	CHYWMFKGDIHUJU-SNAWJCMRSA-N	236.080	-0.219	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2247758366	ZCHMFOLTAWTYRK-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796683	BVXLHEYQDXAZPX-AATLWQCWSA-N	243.112	-0.095	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2247800118	LIZODEOGNQPYDH-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247852404	UDAMAGJQZHGGLX-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CO)C1(B(O)O)CCC1	2247853235	IJAVSDNOVMOEDT-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
CCC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2247869136	MKYDHFBMJWZDNL-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN)N1C(=O)C1(B(O)O)CC1	2247873791	LZRFTGMSFIFWSR-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)CO1	2247896396	YZTWGINLMURMKF-XFWSIPNHSA-N	241.096	-0.125	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898910	IOCZBAIPWVXJBA-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)C(=O)C1CC(B(O)O)C1	2247904914	RKYRSSFWXUSCHI-RVXWLBMTSA-N	241.096	-0.267	50	10	BBGE	
O=C(CCc1cccnc1)NCC=CB(O)O	2248433189	HCPNXHVOMNRXQZ-UHFFFAOYSA-N	234.064	-0.301	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C[C@H](C)O)c1	2248439473	AFWXFRYAQJIYSO-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CC=CC(=O)N(C)Cc1cccc(B(O)O)c1	2248442373	SFODNOLOLSOOLE-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248578418	SYUWLHMFJDBHOS-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2248586568	CSNMDYCNPPSXLI-BQBZGAKWSA-N	243.068	-0.534	50	10	BBGE	
CC(C)(ONC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248587767	UMSCJCPZFXGBJS-OLQVQODUSA-N	245.040	-0.850	50	10	BBGE	
O=C(O)C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248593000	IMXRDNUQCMSNCF-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2249421294	FVFZNZQZUSWPSV-SNVBAGLBSA-N	233.032	-0.899	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1cc(B(O)O)co1	2249428151	NRUBQOJFERMMBB-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CCC[C@@H]21	2249998423	IRLNHKXCHLEOIM-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
Cc1ccncc1C(=O)NCCC#CB(O)O	2250000845	ODUJTBYPCAWBFW-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
CC1(OCc2cccc(C(=O)NN)n2)COC1	2250806012	FQNLKGRQSHIRAS-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
CON(CC1CCC1)c1cc(B(O)O)ccn1	2251020726	UZWNZAQUKNPZRX-UHFFFAOYSA-N	236.080	-0.071	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1ccncc1B(O)O	2255450144	UTNFASZYVBVCKZ-UHFFFAOYSA-N	248.091	-0.154	50	10	BBGE	
O=C(NCC1=CCCCC1)c1cc(B(O)O)c[nH]1	2255460338	SGRHDAUJMBHNBN-UHFFFAOYSA-N	248.091	-0.075	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1ccoc1B(O)O	2255469499	PYOPKMQFVSEOLM-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
CCC=C1CN(C(=O)c2cc(B(O)O)cn2C)C1	2255492247	INXWPTGNBGVTCL-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(N[C@H]1CCC12CCC2)c1cc(B(O)O)n[nH]1	2255553294	WWVVGUHBGWNCAK-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1cc(B(O)O)c[nH]1	2255669206	KZGBLFSGRAUAOI-UHFFFAOYSA-N	248.091	-0.526	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1ncccc1B(O)O	2255674540	MYDPTFDWTNTOHQ-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@H]1C2	2255691281	CQAFJRDMZPOTJC-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ncccc1B(O)O)N(C1CC1)C1CC1	2255722752	SVNDYTVIJKGGHI-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1O	2256014599	PBOQNTGSESFEMB-VIFPVBQESA-N	247.059	-0.786	50	10	BBGE	
Cc1ccccc1OCC(=O)NCC#CB(O)O	2256638142	YQUBHYXJTKBESI-UHFFFAOYSA-N	247.059	-0.495	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C1CCC1	2258122274	AFVJEKWZFHCVFR-NSHDSACASA-N	247.059	-0.509	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCCC[C@@H]21	2258151946	XCBLQYMJMYIVTF-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CN1)[C@H]1C[C@H]1B(O)O	2298368415	CSKQWFQMYWKXJS-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	2298377240	JNYCOZASJJRVPX-CVPUBMOQSA-N	239.080	-0.636	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)O)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298462802	CXPOAKGUCVMKFW-OSMVPFSASA-N	241.052	-0.687	50	10	BBGE	
C[C@H]1C[C@@]1(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463555	KNTUKLDNZIEGEW-XIVUIJJLSA-N	241.052	-0.924	50	10	BBGE	
CC[C@@H](N)CNc1ccc(C=O)c(B(O)O)c1	2301421636	WYKRGIUKIKRRAV-SECBINFHSA-N	236.080	-0.672	50	10	BBGE	
CC(C)=C(CN1CCn2ncnc2C1)B(O)O	2301848415	JCPFIGBMWYXISM-UHFFFAOYSA-N	236.084	-0.558	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC12CCC2	2302561253	GVDVPTMHZKRZAX-QMMMGPOBSA-N	234.064	-0.275	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCCCC(N)=O)C1	2303156172	ULEQDRTYTWBEGU-LLVKDONJSA-N	242.128	-0.029	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@@]2(CO)C1)C(=O)NN	2303424289	PZHMEDGBMDSFKF-USWWRNFRSA-N	241.335	-0.293	50	10	BBGE	
N[C@H]1CC[C@H](Oc2cc(B(O)O)c(F)cn2)C1	2303853204	SJDGHSABKAYZNW-BQBZGAKWSA-N	240.043	-0.841	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1cc(B(O)O)ccn1	2304080684	AOVMYXZBFXNZDG-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2(CC2)CO1	2317161255	LGUUQSYQDCDHOW-UHFFFAOYSA-N	244.059	-0.230	50	10	BBGE	
CN1CC[C@@H](Nc2ccc(B(O)O)cc2C#N)C1	2317165123	HSPZSPYFNRJWHM-LLVKDONJSA-N	245.091	-0.646	50	10	BBGE	
N#Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1	2319671363	XZKNLXFGDBMRIJ-SECBINFHSA-N	245.047	-0.358	50	10	BBGE	
NNC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1	38202272	UUIJJTAYBDWVFP-UHFFFAOYSA-N	219.200	-0.656	50	10	BBGE	
CN1CC[C@@H](NC(=O)NC(=O)CCl)C1	42549970	XTCGFJQFSNLIDJ-ZCFIWIBFSA-N	219.672	-0.245	50	10	BBGE	
NNC(=O)CCN(CCO)C1CCCCC1	58837105	UYTRSMWAELCPND-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@H](CN(CCO)C(C)(C)C)C(=O)NN	58848543	ICYNCBIVGUPRMO-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
COc1ncccc1C(=O)NNC(N)=O	70044500	ZKRSYWWTDCISCP-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
CNCCN(C)Cc1cc(C)c(C(=O)NN)o1	70303774	SQCJUXYTKJDXPP-UHFFFAOYSA-N	240.307	-0.157	50	10	BBGE	
COC(=O)/C(C#N)=C1\N(C)N=C(C)N1N	75617395	WUMAYCQHYCZJSM-VOTSOKGWSA-N	209.209	-0.651	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cnc([N+](=O)[O-])n1	86313785	RGBILVAVWPIKMC-UHNVWZDZSA-N	228.212	-0.627	50	10	BBGE	
CC(C)(CN1CCn2cnnc2C1)C(=O)NN	93728127	HATDWMRLPWNWSH-UHFFFAOYSA-N	238.295	-0.890	50	10	BBGE	
C[C@@H](CO)N(C)CCCCCC(=O)NN	128575970	BTTSPCOCSAABOQ-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1cnccc1=O	132868158	JGPMWBPZEQYNIA-YFKPBYRVSA-N	202.597	-0.065	50	10	BBGE	
O=C/C=C/[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC(=O)O	145722930	AZNZYQFJBBPJNK-DEKHIZDJSA-N	214.217	-0.426	50	10	BBGE	
C[C@@H](NC(=O)CCBr)C(N)=O	159768730	CJYPWENWJKPTGJ-SCSAIBSYSA-N	223.070	-0.239	50	10	BBGE	
O=c1ncccn1C[C@H](O)CBr	160930083	WVVRJKBRYOJYBI-ZCFIWIBFSA-N	233.065	-0.001	50	10	BBGE	
CCC(=O)C[C@](N)(CCCCB(O)O)C(=O)O	198063454	HHSYBALVIDNQRV-SNVBAGLBSA-N	245.084	-0.219	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)ccc1F	229338035	JFPHGIKNEZUIIN-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
C[C@@]1(O)CCCN(CCC(=O)NN)CC1	230383915	LEKWSROOKXTVJM-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
C[C@@H](Br)C(=O)Nc1nnn(C)n1	235096589	LQQNBGYSTPYQPH-GSVOUGTGSA-N	234.057	-0.068	50	10	BBGE	
CC(C)(NC(=O)CNC(=O)CCl)C(=O)O	238162505	HNASCTDJBVGFAN-UHFFFAOYSA-N	236.655	-0.679	50	10	BBGE	
CC(=O)NN(C(=O)C(N)=O)[C@H](C)C1CC1	238431973	KYNSYDDJJWQMQQ-RXMQYKEDSA-N	213.237	-0.850	50	10	BBGE	
C#CC1C(C=O)=CN(CC(=O)O)C=C1C=O	238603159	HJLYRDJIQKVYFA-UHFFFAOYSA-N	219.196	-0.198	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCN(C)C1	251527553	JXKLJIKMSYSIMU-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NCCNC(C)=O	255076838	FCQYSKYGQLREHH-CLFYSBASSA-N	225.248	-0.317	50	10	BBGE	
CN1CCC(C(=O)NN)([C@@H]2CCN(C)C2)CC1	259023015	QCDVHQMCXGQYGW-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(O)C1)C(=O)NN	300035435	ZGWLMVVQHCEFJI-CBAPKCEASA-N	201.270	-0.931	50	10	BBGE	
CN(C)C(=O)CSCCCC(=O)NN	300902231	WAXKORJCMXJDRQ-UHFFFAOYSA-N	219.310	-0.422	50	10	BBGE	
O=[N+]([O-])c1cc(F)c(B(O)O)cc1F	306855979	XKUHVNUTDQIZPI-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
NC(=O)NN=C1c2ccccc2C[C@H]1O	308675871	PHFOICXTYXLWLP-MRVPVSSYSA-N	205.217	-0.024	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1CCCC(=O)NN	310096872	VSJFLKBPSKJPMD-UHFFFAOYSA-N	234.259	-0.202	50	10	BBGE	
CCCC(C=NNC(N)=O)=NNC(N)=O	383921301	KFBDPBPATWUTIY-UHFFFAOYSA-N	214.229	-0.535	50	10	BBGE	
N#CCc1ccc2oc(B(O)O)nc2c1	396116846	VUSGUKSSKGARCB-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
N#Cc1cc(B(O)O)cc2scc(CO)c12	396216766	HMPVKDOIOUIGGU-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=S(=O)(CCCCl)NCc1cnn[nH]1	398383733	VPQIKMDAQWFVLC-UHFFFAOYSA-N	238.700	-0.147	50	10	BBGE	
NC(=O)Nc1ccc(Cl)c(B(O)O)c1	405188971	RMKRMVODWIGURH-UHFFFAOYSA-N	214.417	-0.490	50	10	BBGE	
CCn1cc(CN2CC[C@@H](B(O)O)C2)cn1	585075517	FVLFAVJXKMWGIO-SNVBAGLBSA-N	223.085	-0.048	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(=O)N(C)CC1	688934369	OZUZYQUSWHUQMY-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
Cn1cnc2cncc(/C=C\B(O)O)c21	692641181	UZHWPUSBVXXOTF-IHWYPQMZSA-N	203.010	-0.007	50	10	BBGE	
Cc1nn(CC(F)(F)F)c(C)c1B(O)O	694309810	QNZADCJWAPXZMY-UHFFFAOYSA-N	221.975	-0.258	50	10	BBGE	
O=C(/C=C\c1ccc(O)cc1)NCB(O)O	702031719	BNPBAYIAIJWXRZ-UTCJRWHESA-N	221.021	-0.466	50	10	BBGE	
CC(C)(C)OCCn1ccc(B(O)O)n1	703686778	HTCBQTDIKYMEPQ-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)C[C@@H]1CO	705321234	YHDOYELTWUDLNV-KNVOCYPGSA-N	247.682	-0.155	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708092909	JBRLDQGFFYENAV-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
CC(C)[C@H]1CN(CCC(=O)NN)CCO1	708949871	FTMVIFVRALHKDP-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)[C@H](C)CO	823902677	SKJYACZQQAJOSK-HRDYMLBCSA-N	244.291	-0.471	50	10	BBGE	
C=C[C@H](NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)OC	863386667	YCVMSBPNWKACCU-CIUDSAMLSA-N	242.275	-0.098	50	10	BBGE	
Cc1cc(N2CC[C@H](B(O)O)C2)ncn1	864232632	BSQNPYVEKXKRRV-QMMMGPOBSA-N	207.042	-0.162	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)C1CCC1	900658128	GNZATFRTGNEWPS-LTMVXPGCSA-N	212.249	-0.129	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1cnn[nH]1	1115996436	HAXWCUDXIWHWBZ-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
O=Cc1ccc(C(=O)NNC(=O)c2ncon2)[nH]1	1157783034	HNQYPZRYPJMJEF-UHFFFAOYSA-N	249.186	-0.715	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1C#N	1538841722	XHEFAFZKOXRGQC-RNFRBKRXSA-N	224.289	-0.173	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cn[nH]c1	1557463956	VUMZGORTUNSFHD-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
Cc1cc(NNC(=O)c2nc[nH]n2)nc(N)n1	1587916677	ZXPZEIJHPHDFBG-UHFFFAOYSA-N	234.223	-0.758	50	10	BBGE	
CNC(=O)NNC(=O)c1nn(C)c(C)c1Cl	1597340742	JRGGLVMMPTXBNP-UHFFFAOYSA-N	245.670	-0.044	50	10	BBGE	
CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3Cl)[C@H]2C1=O	1615949547	MLOSMCLLMVPMSJ-SNZVZIACSA-N	229.663	-0.165	50	10	BBGE	
O=C(NNC(=O)C1CCOCC1)c1ncon1	1627099606	GQRFVKGEDBHWSE-UHFFFAOYSA-N	240.219	-0.743	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn[nH]1	1628421109	FCUAJWBXHBAPOB-PHDIDXHHSA-N	223.236	-0.388	50	10	BBGE	
COc1c(C(=O)NN(C)C(N)=O)cnn1C	1630878879	XQUUNQKFPQXSHR-UHFFFAOYSA-N	227.224	-0.916	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H](O)[C@@H](O)C1	1877520245	KQHNTQRHRORIKK-CWKFCGSDSA-N	219.668	-0.432	50	10	BBGE	
O=C1NCC2(CN(C(=O)CCCl)C2)N1	1884974798	CZPNUDMTPMRGBM-UHFFFAOYSA-N	217.656	-0.491	50	10	BBGE	
CNC[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1Cl	1893453462	NDLZNYXDHQZHMW-FXQIFTODSA-N	220.700	-0.348	50	10	BBGE	
CC1(O)CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	1900533385	HNKADMSWHYWZHL-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1CNCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901377502	PCTFQOIBANGJJC-JGVFFNPUSA-N	249.336	-0.845	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	1902101243	FRACWQBKMIYUDQ-IWSPIJDZSA-N	229.085	-0.675	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ccno2)C1	1902511533	IDIPIPIXACUFAO-VIFPVBQESA-N	224.025	-0.246	50	10	BBGE	
CCn1cnc(CN2CC[C@@H](B(O)O)C2)n1	1902550432	JVDTUKIFOVHEJI-MRVPVSSYSA-N	224.073	-0.653	50	10	BBGE	
C[C@@H]1C[C@H](OCc2nc(B(O)O)cs2)CO1	1902658633	QPSYIXOTSYKYEL-RQJHMYQMSA-N	243.093	-0.483	50	10	BBGE	
CC[C@@](C)(CN1CC2(CCO2)C1)C(=O)NN	1902716011	NECGKKQQECYXCW-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1C[C@H](F)C1	1905096761	VUABILQSBFARSK-ZKWXMUAHSA-N	227.044	-0.049	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1914018445	FWVSYJVBKKBSBE-LPEHRKFASA-N	241.335	-0.437	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(COC)C1	1916281347	LLJZSIYQCQKSEK-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927913423	JBCWPDCZXYNGNE-XHNCKOQMSA-N	208.265	-0.542	50	10	BBGE	
NNC(=O)COCCOc1cccnc1	1928180007	WOGVZRHSMUAXIS-UHFFFAOYSA-N	211.221	-0.533	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1COC[C@@H]1CO	1928736304	UERWNLPGKSFXLA-DSYKOEDSSA-N	207.657	-0.263	50	10	BBGE	
Cc1cnn(C)c1CN(C)CC(=O)NN	1930708810	SMEOYMPVVQKQJB-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
COC[C@@H](C)OCC1(C(=O)NN)CC1	1931266918	MBEWPBASQUATLW-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
CN1CCC[C@H](CC(=O)NNCCO)C1	1931372779	QCIHVWZZHHGWPX-SECBINFHSA-N	215.297	-0.669	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@@H](C1)C2(F)F	1931857435	HDMNGGPEVPDFHL-DSYKOEDSSA-N	219.235	-0.048	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1936093762	HDYOIZFNDUZICI-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1COCCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936094370	MNLNAYHJGVFYIZ-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](Cl)CCNC(=O)Cn1cnnn1	1937159482	ILWJMSQBMMSOKV-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(C)(C)CO	1938127196	UEZMMUYLRZRUFX-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CO[C@@H]1COC[C@@H]1CN1CC(=O)OC(=O)C1	1939187583	FBFCWCYFLBXXQX-JGVFFNPUSA-N	229.232	-0.967	50	10	BBGE	
COC[C@]1(O)CCCN([C@H](C)CC(=O)NN)C1	1946459420	FUSULFWVLBNERY-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1nc(C(=O)NN)co1	1947986448	UPFGQHMZALCRNU-JTQLQIEISA-N	240.263	-0.765	50	10	BBGE	
O=C(CBr)[C@H]1CN2CCN1CC2	1953447921	HFRMJXXPIIMLQZ-SSDOTTSWSA-N	233.109	-0.050	50	10	BBGE	
O=C=NC(=O)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1954211037	CNJRRFSYVVTWLX-FMCRUOTFSA-N	201.203	-0.861	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@H]1C[C@H]1CCl	1955097361	SFQWKQVTTOBUNI-WHFBIAKZSA-N	242.684	-0.196	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1Cn2cnnc2CN1	1955167179	HJXYPWJRLHLPAD-WDSKDSINSA-N	214.656	-0.054	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)CCCl	1955276533	MUECHZRSLUKBJQ-MRVPVSSYSA-N	225.672	-0.899	50	10	BBGE	
N#C[C@H]1CCCN(S(=O)(=O)N=C=O)C1	1956213199	KVOOOBBXCBTKIX-SSDOTTSWSA-N	215.234	-0.197	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC(CF)C1	1957337467	XFRLLNXAGZSQLI-UHFFFAOYSA-N	203.217	-0.817	50	10	BBGE	
OB(O)c1cnc(Sc2ncns2)nc1	1961722582	IAXQHNHKABGOHC-UHFFFAOYSA-N	240.078	-0.841	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1c(Cl)cnn1C	1980183871	SMVGQIZHXSTEKT-LURJTMIESA-N	245.714	-0.116	50	10	BBGE	
Cn1nnc2c1CCN(C[C@@H](Cl)C(=O)O)C2	1980827639	HDSIYGBWMQVXKK-ZCFIWIBFSA-N	244.682	-0.135	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=CC[C@@H]1CO	1983179396	NZENNHAPFGUKKD-ZJUUUORDSA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC1)COC2	1983765772	MYKOOAMTGZESDQ-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987562258	JRPDZBRNXAJRIE-RGOKHQFPSA-N	226.324	-0.611	50	10	BBGE	
CC[C@H](C)S(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991331790	PSRZSQSXVHLQKL-IONNQARKSA-N	247.125	-0.195	50	10	BBGE	
C[C@]1(CO)CNCCN1C(=O)C=CC(=O)Cl	1991655833	AFKSYHHRROFFDG-SNVBAGLBSA-N	246.694	-0.509	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)[C@H](CO)C1	1991706504	QFINCFKDARVGCU-PPYPBTKYSA-N	247.678	-0.490	50	10	BBGE	
O=C(CC1C[C@H]2C[C@@H]2C1)NCC#CB(O)O	1992125164	OHYUDNIUOQMQNU-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN(C)C1C[C@@H]2COC[C@H]2C1)B(O)O	1992152939	JWRHPBZWKWQERV-NXEZZACHSA-N	225.097	-0.089	50	10	BBGE	
C#CCCNC(=O)c1ccccc1B(O)O	1992837178	VLQILMBTBOAORA-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]1(F)C[C@H]1C	1995030860	CYWARMMHCKCPHY-XCBNKYQSSA-N	231.271	-0.166	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996732604	JCVKNUFIUWIMPP-GARJFASQSA-N	240.351	-0.363	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C[C@H](C)O)C[C@H](C)O	1997349111	AQDNYIAAXCOWTR-GUBZILKMSA-N	247.339	-0.936	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C2(CCC2)C1	2000816022	ZEZGMAVYSWGPRY-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cnn(CCN2C[C@H]3CC[C@H]2C3)c1	2001354002	FHLFLGPIYSPTSO-ONGXEEELSA-N	235.096	-0.953	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCc2ncn(C)c2C1	2004041794	SOPOKZKXGZJKIF-QMMMGPOBSA-N	237.307	-0.453	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)nc1	2004911078	CBKPOVHJQWLEDR-PRQTWWFRSA-N	231.064	-0.999	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1ncc(B(O)O)cn1	2004919272	WWXPTFGZHPIWBO-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
CO[C@H]1CCN(c2ccncc2B(O)O)[C@H]1C	2004921256	TXBMWFNJVWFTOA-KWQFWETISA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)c1ncccc1B(O)O	2004934087	BTAAFGXWUPMPFL-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
OB(O)c1cccnc1N1CCC(CF)CC1	2004935011	KHAHMJOCONKEOE-UHFFFAOYSA-N	238.071	-0.053	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@@H](C)O1	2004935726	PJPBVNVJJPNUJY-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2C(F)F)c1B(O)O	2004973866	BCYOCFDSIVIKCQ-ZCFIWIBFSA-N	243.022	-0.691	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2C(C)C)n1	2005017705	JHCLNAGDSJMCOD-SNVBAGLBSA-N	235.096	-0.300	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCC2=O)cn1	2007740326	HBQRJMNTZRYUCU-UHFFFAOYSA-N	234.259	-0.193	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(F)CCC[C@]2(CO)C1	2007743608	KJWWKFZNCPFHOD-FBIMIBRVSA-N	245.298	-0.449	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC=CCC1	2008840178	IPRGRFSAQIBHED-JTQLQIEISA-N	233.076	-0.116	50	10	BBGE	
C[C@]12CCCN(C(=O)C(=O)NN)[C@@H]1CCOC2	2009419626	KCOJPAPTCOKBDR-LDYMZIIASA-N	241.291	-0.606	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013676638	FIJICEXKWASMKP-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN(C)C)[C@H](C(=O)O)C1	2014385551	QHRGQHXGQMEOIU-YUMQZZPRSA-N	245.279	-0.263	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CC[C@H]2C1	2014924025	GITYLJDJZWDBBU-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1cccc(OCC2[C@@H]3COC[C@@H]23)c1	2015139596	XBRPEJMZSDLKLH-GHMZBOCLSA-N	234.060	-0.362	50	10	BBGE	
C=C(CN1CCC[C@@H]1COCCOC)B(O)O	2021159609	WDILJZMNYDYWKZ-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
COC[C@H](C)COc1ncc(B(O)O)cc1F	2026075317	UZSULBXEEAQJCZ-ZETCQYMHSA-N	243.043	-0.438	50	10	BBGE	
Cc1cc(N2CCOC3(CC3)C2)ncc1B(O)O	2052621754	LDNUUVYCFDBASI-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3C[C@@]3(C)C2)n1	2052624106	PKJONVKZSGXNSD-CABZTGNLSA-N	247.107	-0.381	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CCN2C)ccc1B(O)O	2066394833	LKZNEBZEQHFOJT-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1C[C@H]2CC[C@@H]2C1	2070102376	QYHXEVZJZNRYIF-RKDXNWHRSA-N	247.107	-0.219	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)C(F)F	2212606346	SFJQCLLJNYTSMS-BYPYZUCNSA-N	233.986	-0.034	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN(C)c1ncncc1B(O)O	2215003532	GXNPGSGKFWZZHY-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
OC[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217175128	DXKFKKVKPZGZAV-IUCAKERBSA-N	236.080	-0.666	50	10	BBGE	
C#CCN(c1cc(B(O)O)c(C)cn1)C(C)C	2217185542	YYKHOKUCHTXVHX-UHFFFAOYSA-N	232.092	-0.082	50	10	BBGE	
CC(C)[C@@H](CN)COc1cc(B(O)O)ccn1	2217188598	QQTOVHSVIOMZNP-VIFPVBQESA-N	238.096	-0.629	50	10	BBGE	
C[C@@H]1NCC[C@H]1Oc1nccc(B(O)O)c1F	2217193790	XOOBGNJUROEBRZ-POYBYMJQSA-N	240.043	-0.970	50	10	BBGE	
CN(CC(C)(C)CO)c1cc(B(O)O)ccn1	2217195844	AGVKOCGPXZHYIX-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNc1cc(B(O)O)ccn1	2217203866	BDRGFOSEYRZTQP-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNC[C@@H]2C2CC2)c1	2223662413	OTNXLNPKVAKZTG-GHMZBOCLSA-N	248.091	-0.862	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCCC[C@@H]1C2	2243349964	SZYXPPYVYFBCMK-MWLCHTKSSA-N	221.065	-0.302	50	10	BBGE	
CC1(C)CC(CCNC(=O)C#CB(O)O)C1	2243362130	MTQIPDJHAQVTBJ-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C#CCCN(C)C(=O)c1occc1B(O)O	2243363172	BWTMCSMUSDCGAS-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CC(CO)C1	2243365946	VFQBEEYRIGBKTJ-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)[C@H]1C[C@@H](B(O)O)C1	2243382388	NVJXLCXORIOWIQ-BGZDPUMWSA-N	229.060	-0.039	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccc(B(O)O)s1	2243403891	FMXHHOFRBVFGRC-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)s1	2243407107	LQANUQQLZPBVTQ-SSDOTTSWSA-N	235.073	-0.724	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ncc(B(O)O)s1	2243663665	IYXICHXDWZWGLI-UHFFFAOYSA-N	238.077	-0.579	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1cocc1B(O)O	2244211329	ISKWZCALTTXILG-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](n2cccc2)C1	2247743087	YXPHQEDQZYERIJ-SNVBAGLBSA-N	232.048	-0.723	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)C1(B(O)O)CCC1	2247755780	JWLAXSHEGLFARY-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@]12CC[C@@H]1CNC2)C1(B(O)O)CCC1	2247755856	QZMLGUUZQDFNQJ-KCJUWKMLSA-N	238.096	-0.748	50	10	BBGE	
Cc1nc[nH]c1CN(C)C(=O)C1(B(O)O)CC1	2247758798	WWGRIXPSKMFYLJ-UHFFFAOYSA-N	237.068	-0.316	50	10	BBGE	
CCC[C@H](C)N(C)C(=O)c1n[nH]cc1B(O)O	2247783031	ZWXFUGDPWSLZOL-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247789941	CZBJCNMSPRJWGV-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCC1(O)CCC1)C1CC(B(O)O)C1	2247797025	FQNIXXMNGMNOLX-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
N[C@@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797307	IKHNRRJEFKUBMK-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)OC	2247798075	PYZCLEONFRHQFR-RRQHEKLDSA-N	243.068	-0.693	50	10	BBGE	
O=C(N[C@H]1CNC[C@@H](F)C1)[C@H]1C[C@H](B(O)O)C1	2247801054	WKHPGSZDCQVOJP-XSPKLOCKSA-N	244.075	-0.944	50	10	BBGE	
C=CCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CNC1	2247804721	ICMABGFNSXAYKL-KYZUINATSA-N	238.096	-0.726	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)C1(CO)CC1	2247805921	LFEHFIZOTSDWRU-UEJVZZJDSA-N	241.096	-0.483	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247854770	IEQRDLKKZUGFTB-ZKCHVHJHSA-N	237.068	-0.413	50	10	BBGE	
C=CCCNC(=O)c1ccc(F)cc1B(O)O	2247856756	NCWYTFGYVPXZKF-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CC(C)CONC(=O)c1cc(B(O)O)cn1C	2247865804	ARDQQHCVJFAHJJ-UHFFFAOYSA-N	240.068	-0.978	50	10	BBGE	
CC(F)(F)CCNC(=O)c1ccoc1B(O)O	2247868861	IUKCXFFQUBYQGM-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C(=O)C2(B(O)O)CC2)C1	2247870436	JQUGDQFVMDGQTD-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)CC1	2247872143	NNXYOXIGBONOPH-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
C=C1CN(C(=O)c2c(C)cccc2B(O)O)C1	2247874003	NPXFIHFXDQGWJO-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCCCF	2247874503	QZHKIRXJJFKGQA-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(F)cc1B(O)O	2247876903	YHHNLQUWTALAMO-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@]2(O)C[C@H]2C1	2247894388	GHSQFGQAASWUNZ-KBIXCLLPSA-N	239.080	-0.777	50	10	BBGE	
CCN1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247897143	OPDMJKGLCMPJTG-KXUCPTDWSA-N	240.112	-0.693	50	10	BBGE	
O=C1C[C@H](C(F)F)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247899249	LSSVCFXIBVYXTA-ZLUOBGJFSA-N	247.006	-0.511	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1C[C@@H]1C	2248968791	RZNNODFUKSHMIV-IMTBSYHQSA-N	234.064	-0.792	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249573681	DHZCSQYBDZUDHE-KLBPJQLPSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCn2cncc2C1	2249740269	YWQPNKWSQHMHDD-SCZZXKLOSA-N	235.291	-0.675	50	10	BBGE	
CO[C@H](C(=O)NCCC#CB(O)O)C1CCC1	2250001889	DDUVOKZXPDFGHO-JTQLQIEISA-N	239.080	-0.677	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)CCOCC(=O)NN	2250969780	VSLXYESQSMNETI-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
OB(O)c1cnccc1OC[C@]12C[C@H](CO1)C2	2251180065	FKNAHJKWDOSSKY-DKTWLAJQSA-N	235.048	-0.681	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1[C@H]2CCC[C@H]12	2255456673	RCXRXGOVKKZOKW-IUCAKERBSA-N	249.075	-0.170	50	10	BBGE	
C#CC[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2255460974	AOOHNRHJOKLNQR-VIFPVBQESA-N	247.059	-0.509	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1ccc(B(O)O)o1	2255462501	WFSDSSAWXCCTNR-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
C#CC[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2255474334	QWNHJZALHYUORB-JTQLQIEISA-N	246.075	-0.774	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2255516169	INUQZSCHSYRFGZ-WCBMZHEXSA-N	248.091	-0.464	50	10	BBGE	
CC[C@@H](NC(=O)c1ncccc1B(O)O)C1CC1	2255519580	ZAORIEALVMLYGF-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
Cc1ncccc1NC(=O)c1c[nH]nc1B(O)O	2255563121	CCOLQSAUWCNRLF-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2ccnc2)C1)[C@H]1C[C@H]1B(O)O	2255568439	MMMNGZPCZRODIK-QCLAVDOMSA-N	249.079	-0.434	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2255672582	JKEIAVHCRKMECW-SNVBAGLBSA-N	248.091	-0.528	50	10	BBGE	
Cn1cc([C@@H]2CCCN2C(=O)C#CB(O)O)cn1	2255673629	RKNZCHSQHCRZOA-JTQLQIEISA-N	247.063	-0.901	50	10	BBGE	
CC1(CNC(=O)c2ccncc2B(O)O)CCC1	2255694554	PMTYVCNYKVINLK-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CN[C@H]1C2)C1CC(B(O)O)C1	2298371307	HMFLZLDDPKXEJZ-QQNQPQLZSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCOCC1	2298371703	SHXJPIOYSXSGJV-SZEHBUNVSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C(=O)O	2298463537	JHOKJJKIJVJVLA-LXGUWJNJSA-N	241.052	-0.829	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2C[C@H]2CN)CC1	2299278445	JMYAHTPXOSDSGA-ZJUUUORDSA-N	237.303	-0.152	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@H](F)C1=O	2301870569	BVJSNKCBKUPCQY-ZETCQYMHSA-N	241.222	-0.047	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)N1CC[C@@H](B(O)O)C1	2303105429	PDJKFSLDSAKPOE-MWLCHTKSSA-N	240.112	-0.454	50	10	BBGE	
CN(CC1(F)CC1)c1cc(B(O)O)c(F)cn1	2303849628	LDXJUBVBSZEWOO-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1[C@@H]2C=CC[C@H]1CC2	2312848689	OTZCXRJRFJZBBR-ZJUUUORDSA-N	247.059	-0.108	50	10	BBGE	
N[C@@H]1CC[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317313380	VYQJAAFJSXLFPO-QPUJVOFHSA-N	248.091	-0.672	50	10	BBGE	
O=c1ccn(COCCCl)c(=O)[nH]1	3136315	OAZYDBBUBRXSLZ-UHFFFAOYSA-N	204.613	-0.251	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC(C)(C)C1	82467983	LQJQTAZYMZRBMR-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2CC2)CC1	82470861	FBTXBTURFMECHA-MRVPVSSYSA-N	212.297	-0.855	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCCOC1	82545668	HNHLMNXMTKTOPQ-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
Cn1nnnc1SCC(C)(C)C(=O)NN	86598258	BQNJUHWTPCEMIG-UHFFFAOYSA-N	230.297	-0.682	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@@H](C)CCC(=O)NN	110689254	XWRMSGLRMMWSFY-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C(F)(F)Oc1cccc(C(N)=O)c1	113169305	FCVVDIBASSXLJU-UHFFFAOYSA-N	245.185	-0.253	50	10	BBGE	
O=C(O)[C@H](Cl)CSC[C@H](O)CO	132999157	HCVJUTLNOVZFOD-RFZPGFLSSA-N	214.670	-0.235	50	10	BBGE	
CC[C@H](CNC(=O)NN(C)C)C(=O)O	149042479	VOYGEUIUFUYBIE-ZCFIWIBFSA-N	203.242	-0.127	50	10	BBGE	
CNC(=O)CC(=O)NNc1cc(C)ccn1	188156162	PPLNZGACTRAYMO-UHFFFAOYSA-N	222.248	-0.031	50	10	BBGE	
CC[C@H]1CN(Cc2cccc(B(O)O)c2)CCO1	199011403	HTDMZRSKVDUPNK-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@](C)(O)CC1	230375280	GYBSQEVDDJOQEZ-NSHDSACASA-N	243.307	-0.609	50	10	BBGE	
COC[C@H](OCCOC(C)C)C(=O)NN	232417514	YPYIEBYQIFLDHA-QMMMGPOBSA-N	220.269	-0.567	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)C(=O)NN)C1	235289493	XJKHMJHUBVSTNU-SFYZADRCSA-N	213.281	-0.081	50	10	BBGE	
CC(=O)N[C@](N)(C(N)=O)C(Cl)Cl	238133226	GBTKREMCNDQMLX-YFKPBYRVSA-N	214.052	-0.934	50	10	BBGE	
CCOC(=O)/C=C(/C)NN(C)C(N)=O	238291884	USLFLVXBPWAHPT-WAYWQWQTSA-N	201.226	-0.032	50	10	BBGE	
COc1ccc(C[C@@H](N)C(=O)N(C)N)cc1	259181001	XDICLWUDFVPACS-SNVBAGLBSA-N	223.276	-0.103	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	300374353	ONZVVHNOYDPXMJ-QYYLWSOASA-N	209.249	-0.022	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388194809	QHSFWCDVQVNCRB-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H](O)C2)cc1	393792503	FWJIVJRWHFDMBO-LLVKDONJSA-N	221.065	-0.673	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@@H](C#N)C1	395700547	HPXOGISKXSZTKD-IUCAKERBSA-N	240.307	-0.385	50	10	BBGE	
CCOc1cccc(B(O)O)c1CCC(=O)O	396112490	RTGOIBAVCKYBDI-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H](C)CO	688395150	MYFWIPSCJUNIEP-DTWKUNHWSA-N	217.313	-0.439	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]([C@H](C)O)C1	688916350	MEUKCORJFICKSE-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](CC(N)=O)C1	690730957	AWDWBLHKQXUNSB-SECBINFHSA-N	242.323	-0.656	50	10	BBGE	
CN1CC[C@H](C(=O)N2CCC(O)(C#N)CC2)C1	692084719	ICWXEAUHGMSKOT-JTQLQIEISA-N	237.303	-0.185	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@]12CCC[C@H]1C2	693142249	VETSRZBDOBTISR-QPUJVOFHSA-N	246.075	-0.110	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cn1)C1CCC1	694562572	HJFXQCJNJDHQBR-QMMMGPOBSA-N	208.070	-0.001	50	10	BBGE	
NC(=S)NNC(=O)C1(C(F)F)CC1	697603633	LGQNRHNQOOKORQ-UHFFFAOYSA-N	209.221	-0.104	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2nc[nH]c2c1	700872761	YEGVPWZJZFWJJV-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
NC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1	700878850	JMRUEFDUYRAVSM-UHFFFAOYSA-N	238.203	-0.163	50	10	BBGE	
O=C(Cc1ccc(O)cc1)NCB(O)O	701938041	IZEHYFFAJCVSRD-UHFFFAOYSA-N	209.010	-0.937	50	10	BBGE	
CS(=O)(=O)NC1CN(C(=O)Cl)C1	705492913	YVADGUHQVQFAKW-UHFFFAOYSA-N	212.658	-0.421	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706204615	UHAXYXRYTWULIA-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CSC1CC(N(C)C(=O)C(=O)NN)C1	707306921	RUDIZADMNFBEBT-UHFFFAOYSA-N	217.294	-0.671	50	10	BBGE	
CN(N)C(=O)CCNC(=O)C(C)(C)C	707588522	FLTVDCJNFRWAFE-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1	709324497	IFDWQQJRHLTGAD-YUMQZZPRSA-N	238.243	-0.416	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1cnc[nH]1	709748280	OYWVQSRNNPSZII-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
COc1cc(B(O)O)ccc1N[S@@](C)=O	712395826	ZDQDCCXEXCGPRX-OAHLLOKOSA-N	229.066	-0.920	50	10	BBGE	
COC[C@H](OCC1CCC1)C(=O)NN	719778466	PXCKNEXXLNNZCF-QMMMGPOBSA-N	202.254	-0.192	50	10	BBGE	
NCCCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	723639685	UBKUUSOFTSVMKL-IUCAKERBSA-N	247.364	-0.004	50	10	BBGE	
NNC(=O)c1nc(COC2CC2)ns1	724345372	IHZRORCGKCBBQA-UHFFFAOYSA-N	214.250	-0.179	50	10	BBGE	
C[C]1SC=C(C(=O)NCB(O)O)[C@H]1C	725654209	BUNPLZDBNJYGKU-YFKPBYRVSA-N	214.075	-0.067	50	10	BBGE	
C#CCCNC(=O)NNC(=O)Cc1cccnc1	733347263	RRGDVCWRBYJFMB-UHFFFAOYSA-N	246.270	-0.022	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CSC(=O)N1	746167760	YHLFYQLTQYJGKO-BYPYZUCNSA-N	232.265	-0.838	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)CCBr	757141531	DGUHOMQSIJRPGH-YFKPBYRVSA-N	235.081	-0.142	50	10	BBGE	
CN(NC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21)C(N)=O	781003487	QKFDIVBYPRKJBD-XVMARJQXSA-N	213.237	-0.547	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(O)(C#N)CC1	821981824	YPVHXFUBTDBBQD-SECBINFHSA-N	240.307	-0.505	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCS1	854985386	QKLHELSRQDQENO-GMSGAONNSA-N	244.316	-0.034	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NN(C)C(N)=O)[C@@H](C)O1	867127851	UZAYRIJNBQVVRX-QYNIQEEDSA-N	215.253	-0.158	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H](C)CO1	900353078	NZNUOSSQFZGFLV-WDSKDSINSA-N	201.226	-0.628	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ncccc1F	908125154	AVZBMWALCJWQRI-SSDOTTSWSA-N	243.238	-0.204	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NN(C)C[C@H](C)O	910185425	ZIPWUQBEQPHXHD-WPRPVWTQSA-N	243.307	-0.659	50	10	BBGE	
Cc1ccnn1CC(=O)NNC(=O)c1cn[nH]c1	1533774588	ZFCHLJQAFHANKL-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
O=C(Cc1cccnc1)NNC(=O)c1ncon1	1538720244	DWVKYFDGYUVTTP-UHFFFAOYSA-N	247.214	-0.532	50	10	BBGE	
C=C(CO)C(=O)NNc1nncc(N)c1Cl	1629749511	QUJRWBUBTHARSX-UHFFFAOYSA-N	243.654	-0.296	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cc[n+]([O-])cc1	1641298739	MPMTWHZXCSCNKX-UHFFFAOYSA-N	247.214	-0.882	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNc1cnnn1C	1654605810	LGNIJQXPHKXBLF-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
N=c1nc([C@@H]2C[C@@H]2Br)[nH]c(=N)[nH]1	1877387444	COBYPBQRDJMUHJ-GBXIJSLDSA-N	230.069	-0.052	50	10	BBGE	
NC(=O)C1(NC(=O)[C@@H]2C[C@H]2Br)CC1	1877403074	MBVIRDGFRHEJJH-RFZPGFLSSA-N	247.092	-0.096	50	10	BBGE	
CO[C@@H]1COC[C@@H]1NC(=O)CBr	1880684928	UMBTZCPYRNBEQR-NTSWFWBYSA-N	238.081	-0.089	50	10	BBGE	
C[C@H](Cl)CC(=O)NCC[C@H](O)CO	1882383246	LJWPJEAMUXBGMR-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)N1CC[C@@H](O)C1	1894569909	ACGUWHRLMYRGSO-NKWVEPMBSA-N	242.728	-0.485	50	10	BBGE	
C=C(CN1C[C@H]2CSC[C@@H]2C1)B(O)O	1895169201	JSCNFMLLRLWINA-IUCAKERBSA-N	213.111	-0.151	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCCCN1	1901374602	FOTKBDVDRLNZMU-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@]1(C)CCN1	1901376533	BRGDWRUDGFNMNM-VIFPVBQESA-N	249.336	-0.559	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2[C@@H]3COC[C@@H]32)C1	1902516217	RBTPXQPFTLAOTB-MMWGEVLESA-N	225.097	-0.182	50	10	BBGE	
C[C@H]1[C@H](N(C)C(=O)C#CB(O)O)CC1(C)C	1902624926	YBXOWQXYWUGTPV-DTWKUNHWSA-N	223.081	-0.105	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCCC#CCO)[nH]1	1902920617	LPTDSYXDZXZIGB-UHFFFAOYSA-N	241.682	-0.757	50	10	BBGE	
N[C@H]1COC[C@]1(NCC1CC(Cl)C1)C(=O)O	1904229542	KCUSBOYTTVHASR-LXKYZYTISA-N	248.710	-0.226	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C(=O)[C@H]1C	1912243309	AMMWOJRCSXNJDB-PRJMDXOYSA-N	213.281	-0.273	50	10	BBGE	
C[C@@H](CN(C)S(=O)(=O)C1CC1)C(=O)NN	1913793182	BDKOSYCRXXEUDB-LURJTMIESA-N	235.309	-0.964	50	10	BBGE	
C[C@@H]1CN(C(=O)NC(=O)CCl)CC(=O)N1C	1925968996	PHZSJPGADRQJOL-ZCFIWIBFSA-N	247.682	-0.376	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)CC2(CC2)C1	1926434414	PIRMRLLSESSNKX-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)CSC1=O	1927911817	RPVKZFIPGARMNS-WHFBIAKZSA-N	229.261	-0.692	50	10	BBGE	
CN(CC1CSC1)C[C@@H]1C[C@@H]1C(=O)NN	1927913878	OFCKGIVIPIQPKL-IUCAKERBSA-N	229.349	-0.093	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC[C@H]2C[C@H]1CO2	1928122543	VUPJTUFTYCSANU-ACZMJKKPSA-N	229.305	-0.334	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CCC[C@H]1Cl	1928695537	CVPOEBSJLNAYHJ-RQJHMYQMSA-N	229.671	-0.051	50	10	BBGE	
O=C(Cn1cnnn1)N1CCC[C@@H](Cl)C1	1928696020	JITBYCTYLWBVNS-SSDOTTSWSA-N	229.671	-0.097	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2CCC(=O)NN	1929001542	MJSDNTXTOGCBOO-XCBNKYQSSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C(C)(C)O)C1	1932096534	OASHVEMTVAPRCR-ZETCQYMHSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CCCC(=O)NN	1934981553	REEYYWWUBDYISX-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1CCCC(=O)N1	1936557196	PAQWXFYPZNQTCO-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](O)CCC[C@H]2C1	1945659023	PZUHSDMZJZOAPW-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](CCO)C2)CC1	1945883293	WYOMBUHMUHTZCC-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
COC[C@]1(O)CCCN(CCCC(=O)NN)C1	1946461387	XGYVAZCAFPUCNN-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
CN1CCC2(CC1)CN(CCCC(=O)NN)C2	1947135020	DQBRXRHOYQHAEU-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
O=C(N1CC=CCC1)N1CC[C@@H](B(O)O)C1	1951319994	BZVDGJXAAPMDAO-SECBINFHSA-N	224.069	-0.083	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@@H](O)C#N)nc1	1952999102	ANMKIIYYQFPKMB-IUCAKERBSA-N	221.216	-0.248	50	10	BBGE	
CN(C(=O)CCl)[C@@H]1CC(=O)NC1=O	1954037299	SRKSXLOCAHYFDR-SCSAIBSYSA-N	204.613	-0.901	50	10	BBGE	
O=C(CCl)N[C@@H]1CO[C@@H]2COC[C@@H]12	1954355893	BTDLIQUMNWIIDO-RRKCRQDMSA-N	205.641	-0.245	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCS(N)(=O)=O	1954505113	BJNRGLCEEHBCFT-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
NNC(=O)NC[C@]12COC[C@H]1C2(F)F	1955744906	FCYJKPHJXDRFRQ-XINAWCOVSA-N	207.180	-0.559	50	10	BBGE	
C[C@@H]1CC[C@@H](CCN(C)CC(=O)NN)O1	1958880409	FPGOASPKYPGKGV-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCN(CC)[S@](C)(=O)=N[C@H](C)C(=O)NN	1960616712	FUEWYEMZUXWIRK-KWKYVRJSSA-N	236.341	-0.281	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CCC2)n1	1961695294	BCSOKGIICHHQJQ-UHFFFAOYSA-N	208.026	-0.604	50	10	BBGE	
O=C(NCc1cocn1)c1cccc(B(O)O)c1	1969381890	VUIVAMJSJSZNEG-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H](C2)[C@H]1CO	1975152876	PSPSMEKUAIPPAE-XHNCKOQMSA-N	213.281	-0.788	50	10	BBGE	
CCCOC1CN(CCOCC(=O)NN)C1	1976058510	OARHKHWZIVIPFQ-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
C[C@H]1CCOCC[C@H]1N(C)C(=O)C(=O)NN	1978957779	DHIAUUPVMQDQRS-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@@H]2C[C@H]21	1981144175	UIIHCJDLJZLSNS-OPRDCNLKSA-N	227.308	-0.136	50	10	BBGE	
Cc1cc(N2CCSCC2)ncc1B(O)O	1981413913	LWZHYRDXCSIORF-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
C[C@H](COc1ncc(B(O)O)cn1)C1CC1	1981420224	HUYJJDLHXMUXKU-SSDOTTSWSA-N	222.053	-0.419	50	10	BBGE	
C[C@H](CN(C)C[C@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982263901	DYVXBQJDIJXCQI-KYXWUPHJSA-N	227.308	-0.563	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cncnc1	1984241435	OABSOHPXVIIADE-SECBINFHSA-N	223.280	-0.323	50	10	BBGE	
CO[C@@H](C)COCc1ccc(B(O)O)cc1	1986050596	ANUCLLVHPCUZFN-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1[C@H](C)CCC(=O)NN	1990041549	STTVTGIUDULLED-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1[C@H]1C[C@H]21	1990772406	JLEIRXWWHPRMID-IMSYWVGJSA-N	223.276	-0.506	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@@H]2CC[C@H]21	1990773038	QQHKDXXDWVGOEV-RKDXNWHRSA-N	243.332	-0.267	50	10	BBGE	
COCCN(CC(=O)NNC(C)=O)C(C)C	1990775523	WTRBBFRHCBCLKS-UHFFFAOYSA-N	231.296	-0.490	50	10	BBGE	
Cn1nnc(CN)c1C(=O)NC[C@@H]1C[C@H]1Cl	1991436564	ADNZRTWISDNBSS-NTSWFWBYSA-N	243.698	-0.369	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@@H]2COC[C@H]21	1991650612	OBSRUQFWYFNZIN-HTQZYQBOSA-N	245.662	-0.066	50	10	BBGE	
CN(CCc1nn[nH]n1)C(=O)/C=C/C(=O)Cl	1991703407	GROXZTDSBSJZDY-NSCUHMNNSA-N	243.654	-0.478	50	10	BBGE	
NNC(=O)COCCO[C@H]1CCOC[C@H]1F	1991733011	ZNFOCKWSTXNQRE-SFYZADRCSA-N	236.243	-0.864	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1994707427	PBIUSBORORABKG-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000813964	JZJMXCPZYSLPKN-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(C)N(CC1CC1)c1ncc(B(O)O)cn1	2004911599	IZQOLDDCCNCXII-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
CC[C@@H]1COCCN1c1ccc(B(O)O)cn1	2004919322	XMFFMFDMOHYFPE-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H](C2)C1	2004930785	WOPNIWHGNGLHDF-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CO[C@H]1CCN(c2nc(C)ccc2B(O)O)C1	2005015361	ZJOITXOXZDOCIP-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]([C@@H](C)O)C1	2005913310	QAHDDAAQSSKQJJ-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CCO[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	2006338525	IFCCDJQSPIDYLE-IUCAKERBSA-N	243.307	-0.360	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCOC[C@H]1F	2013730277	MHCRJTMHLNCBTK-BDAKNGLRSA-N	245.298	-0.185	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@]12CCCOC2	2021122808	PHYSZEFVFDGCJA-KOLCDFICSA-N	239.080	-0.513	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)ncc1B(O)O	2052555186	DNPZGJOILIBNTQ-HJGDQZAQSA-N	245.091	-0.691	50	10	BBGE	
COc1nc(N2CCC[C@@H]3C[C@H]32)ncc1B(O)O	2052626515	DFYQLVPDQADKPD-VXNVDRBHSA-N	249.079	-0.846	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H]2CO)nc1	2056278162	VFHVDDMYTXLKOJ-LLVKDONJSA-N	248.286	-0.582	50	10	BBGE	
CCOc1c(B(O)O)ccc(F)c1C=O	2060113733	SRCGWXXUZMZROC-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1C	2079008384	IWOLVVBRLWFIPE-BZBKMWRSSA-N	247.103	-0.002	50	10	BBGE	
CC/C=C\CN=c1[nH]ccc(B(O)O)c1F	2212603605	HGFMGIWNJJNPDZ-ARJAWSKDSA-N	224.044	-0.300	50	10	BBGE	
CC[C@@H](CNc1ccc(B(O)O)cn1)OC	2212611502	ADKYTCSZWOFSBU-VIFPVBQESA-N	224.069	-0.402	50	10	BBGE	
Cc1nc(CN2CCC(O)(C#N)CC2)nn1C	2215350488	BSHHQYWAINLKNS-UHFFFAOYSA-N	235.291	-0.026	50	10	BBGE	
CCN(C)CCCOc1ncccc1B(O)O	2217183483	LPQSEKFLWVETHV-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)CC(F)F	2217184050	MDNLJCUJTDVDGY-LURJTMIESA-N	245.038	-0.719	50	10	BBGE	
Cc1cnc(NCC2CC(N)C2)cc1B(O)O	2217184640	VCUKFFNEVQPGLI-UHFFFAOYSA-N	235.096	-0.781	50	10	BBGE	
C[C@@H](O)CCN(C)c1nccc(B(O)O)c1F	2217186693	NSPSIKPGRUACRQ-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
C#CC1(Oc2ncc(B(O)O)cn2)CCCC1	2217191526	SXWPNSQHYSRXIW-UHFFFAOYSA-N	232.048	-0.519	50	10	BBGE	
CN(C)CCCOc1nccc(B(O)O)c1F	2217193588	WJIOWQSOOBQONK-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
OCC[C@@H](Nc1cc(B(O)O)ccn1)C(F)F	2217200572	UCYZCFYHLKPSKW-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCC2(F)F)nc1	2217200982	BUFSNCUZULYAEZ-SSDOTTSWSA-N	243.022	-0.244	50	10	BBGE	
OB(O)c1cccc(CN(C2CC2)C2CNC2)c1	2220053722	KCYZCNCMKRMWEE-UHFFFAOYSA-N	246.119	-0.697	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN2CC[C@H]1C2	2223627274	LQRRXMKWJWBWIZ-ONGXEEELSA-N	247.107	-0.733	50	10	BBGE	
CN(C[C@@H]1CCCN1C)c1cc(B(O)O)ccn1	2223636362	IXGSJSVDRSDWNH-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3NCC[C@H]32)cc1B(O)O	2223639937	HYUZSLQFUZCXBO-FBIMIBRVSA-N	248.091	-0.801	50	10	BBGE	
CN(Cc1ccncn1)c1cc(B(O)O)ccn1	2223669199	HHDMZHSTJGDFOF-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1cccnc1NCCc1cnccn1	2223675119	POXMZEMPYCJMTK-UHFFFAOYSA-N	244.063	-0.794	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](O)CC2(CC2)C1	2223677585	PWHVTDLYRLVKBM-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
COC(=O)c1cc(C)c(B(O)O)s1	2241492895	GWTRUZCCIXBRRY-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
CN(C[C@H]1CC=CCC1)C(=O)C#CB(O)O	2243356312	FPQLBDFOKYEHCM-JTQLQIEISA-N	221.065	-0.184	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)[C@@H]1CCCO1	2243356784	MUWHAKLNUJORTK-QMMMGPOBSA-N	225.053	-0.924	50	10	BBGE	
O=C(N1C[C@@H]2[C@@H](C1)C2(F)F)C1(B(O)O)CC1	2243365328	LBRGMRFVYQHZBI-PHDIDXHHSA-N	231.007	-0.283	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1occc1B(O)O	2243365366	LPOBMRUENVHHOV-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C(=O)C1(B(O)O)CC1	2243365917	UYMAOCNXSZMVND-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243373205	NRAKHPHHGCSUBL-UYXSQOIJSA-N	227.069	-0.731	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@H]1CO2	2243381838	JKHMWXGPSRTXGG-JBDRJPRFSA-N	225.053	-0.761	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@H]2C[C@H]21	2243386050	UAVVLYUNXYYPKE-POYBYMJQSA-N	237.089	-0.338	50	10	BBGE	
O=C(NN1CCCCC1)C1CC(B(O)O)C1	2243392785	XDYJRMZZJSMJMD-UHFFFAOYSA-N	226.085	-0.244	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243410939	KTTIULCNTSIMAE-QMMMGPOBSA-N	226.085	-0.809	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCCC1	2243411601	WZSJKBHQPWIRMY-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
CCC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243752394	IIEFQQOFXMIGIG-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
C#CCCN(C)C(=O)c1cocc1B(O)O	2244213248	BWTGQWKNCVMPBD-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)O1	2244547013	UPHWYIMESQLSBI-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
CCC1(Oc2ccncc2B(O)O)COC1	2245001704	OGFCEUMADNHEMZ-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)C[C@@H](C)C(=O)NN	2245099009	YKDASQTYEHUIML-ZJUUUORDSA-N	230.356	-0.116	50	10	BBGE	
O=C(NCCCN1CC=CC1)C1(B(O)O)CC1	2247749852	AMYNUJQZXRNDQO-UHFFFAOYSA-N	238.096	-0.629	50	10	BBGE	
N#Cc1ccc(=NC(=O)C2(B(O)O)CC2)[nH]c1	2247750911	PUICHVIHKGLHTG-UHFFFAOYSA-N	231.020	-0.679	50	10	BBGE	
C=CC1(O)CCN(C(=O)C2(B(O)O)CC2)CC1	2247753098	BMKGFQJNKYJUOH-UHFFFAOYSA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@H]1O)C1(B(O)O)CC1	2247754150	CDPDCVAJPBFQTB-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
CC[C@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CC1	2247758992	YUDAZUGJAPHTLI-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)cn1C	2247763640	MPGKWWHJQJYFMV-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
CCC(CC)CNC(=O)c1c[nH]nc1B(O)O	2247783819	LKDVKUASWPYJPF-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C1(C)CC1	2247786081	VJMUJQWJMOVBAZ-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
CCC[C@@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247796509	AFAGSUNFMVKOIO-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)cn1C	2247869538	UBZVNEDESFFPMC-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
CC(C)CONC(=O)c1ccncc1B(O)O	2247872540	UFNIWMFTNGIWEP-UHFFFAOYSA-N	238.052	-0.921	50	10	BBGE	
CC[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247874365	QHXLHGHOOILYQX-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
Cn1cc(CNC(=O)C2CC(B(O)O)C2)cn1	2247892335	YUQQHZQVHVRXAZ-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894126	COQVYOLWPQISAU-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CCC[C@H](CCO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247894781	KUOTUTPWHYCXPJ-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)ccc1O	2248034030	WTSQEARFXKGHGT-UHFFFAOYSA-N	235.048	-0.670	50	10	BBGE	
C=C1CC(C(=O)Nc2cccc(B(O)O)n2)C1	2248414869	QPUNFIOLJHPLKV-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
O=C(N[C@H]1C[C@H](C(=O)O)C1)C1CC(B(O)O)C1	2248573400	DGLGGSIOJQUKEM-LCYKGTOWSA-N	241.052	-0.781	50	10	BBGE	
C[C@@]1(C(=O)O)C=CCN1C(=O)C1(B(O)O)CC1	2248575680	HDOPASNFVOPHCA-VIFPVBQESA-N	239.036	-0.765	50	10	BBGE	
CCN(CC(F)F)C(=O)c1cocc1B(O)O	2249417213	CESKEZTWUZIYLV-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1cc(B(O)O)co1	2249424363	RMDGXMJOIUOGCV-VIFPVBQESA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCCC#CB(O)O	2249999423	VPKBYAIEFRUZSI-UTLUCORTSA-N	239.080	-0.678	50	10	BBGE	
COCCCCCOc1ncccc1B(O)O	2250002504	LZKKRSUWSZCSDD-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
N#CNC(=O)c1ccc2cc(B(O)O)ccc2c1	2255458754	WFGSWQYLTUHOAZ-UHFFFAOYSA-N	240.027	-0.270	50	10	BBGE	
CCc1cccc([C@@H](C)NC(=O)C#CB(O)O)n1	2255460917	ZYDYMDUBZJIRJU-SECBINFHSA-N	246.075	-0.163	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ncccc1B(O)O	2255515753	BYWYOPFOXCVIBX-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
C#CCN(CCC)C(=O)c1cncc(B(O)O)c1	2255522482	KHALRNLHTJBEDX-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2255569982	BBJLQXRHAVJLHH-YUMQZZPRSA-N	248.047	-0.413	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CC=CC[C@H]21	2255680314	QAQOBVWFBAZWDD-WCBMZHEXSA-N	247.059	-0.250	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1O	2255947989	QQDYVENIOTURDZ-MRVPVSSYSA-N	249.075	-0.282	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1nccnc1B(O)O	2256055625	UXCYWKWHYKQKAA-UHFFFAOYSA-N	249.079	-0.759	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCC[C@H]1O	2297943275	CNIOUBVVCWMWHO-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2298371308	HMHHUDAIFNJZDR-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)[C@@H]1C[C@H]1B(O)O	2298371655	RCGDWKNFTGCDAL-OEZYJKACSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2298375154	SEQOBLOWWVPDPS-KBDSZGMXSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2CCO[C@@H]2C1	2298375208	ADAXXWYANJSKSC-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298463109	PVKAOUPFISJKPK-ULAWRXDQSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCN(C)CC2)C1	2299231961	XIUIEXQTVKJXBO-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC1=CCN(c2ccc(C=O)c(B(O)O)c2)C1	2301453644	ZQXAXJAXAQAFPL-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H]1COC[C@H]1O	2302053334	RWOCOFIJDLPJFA-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2C[C@@H](CO)CO2)C1	2303152463	YEYQMLYBJPPTID-DCAQKATOSA-N	243.112	-0.677	50	10	BBGE	
CC[C@@](C)(CN1CCNC(=O)[C@H]1C)C(=O)NN	2303423515	GEHIAGMZXSTMBO-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
CC1(C#N)CN(c2cc(B(O)O)c(F)cn2)C1	2303834130	AGWJOTUVIJDIIZ-UHFFFAOYSA-N	235.027	-0.750	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c1F	2312612434	XLVHBOAWQDKSIB-ODHVRURNSA-N	248.066	-0.255	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1ccoc1B(O)O	2312856581	BZVLZGOCXIIVSI-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2313082816	AZHBMGAGIQMISL-RFOGZPIASA-N	247.059	-0.560	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCC[C@H]1N	2317151154	NNXZTABOCCNOIH-ZYHUDNBSSA-N	246.075	-0.503	50	10	BBGE	
CC[C@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2317164898	FNZZFAMQKKEAGI-NSHDSACASA-N	247.107	-0.588	50	10	BBGE	
CC[C@H](O)CCNc1ccc(B(O)O)cc1C#N	2317166830	ZVAMQHFBZIDBGJ-NSHDSACASA-N	248.091	-0.189	50	10	BBGE	
Cc1nccc(C(=O)N2CC[C@](C)(B(O)O)C2)n1	2319681418	ZXYVBRXJWHZBFS-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
C#CCCNC(=O)Nc1cccc(C)c1B(O)O	2327693246	XFFVPRGKWICLIN-UHFFFAOYSA-N	246.075	-0.180	50	10	BBGE	
Nc1no[n+]([O-])c1C(=O)CBr	3165401	ZARCIHTWAPLYFF-UHFFFAOYSA-N	221.998	-0.532	50	10	BBGE	
Cc1cn([C@H]2C=C(C#N)[C@H](CO)O2)c(=O)[nH]c1=O	40656318	CTKYKXZRHGLZHV-DTWKUNHWSA-N	249.226	-0.815	50	10	BBGE	
COCCN(CCC(=O)NN)C1CC1	82470005	LZRQBIDBJCTMBR-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CC(=O)Nc1on[n+](N(C)C)c1CCl	83251567	BDUHVNXKLXAAJA-UHFFFAOYSA-O	219.652	-0.143	50	10	BBGE	
O[C@H](CCl)CN1CCn2cnnc2C1	158021609	CZJXDXCCKZALFI-SSDOTTSWSA-N	216.672	-0.307	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(N)=S)CO1	161849980	JOKFNJUEKMZFDD-RFZPGFLSSA-N	203.267	-0.724	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O	167881180	RXZFFRMOWRGHPQ-ANLVUFKYSA-N	245.666	-0.576	50	10	BBGE	
O=COCCc1cc(F)cc(B(O)O)c1	208606309	RQIZTOWXSGTYNU-UHFFFAOYSA-N	211.985	-0.779	50	10	BBGE	
Cc1nc2nncn2c(C)c1CCC(=O)NN	212664360	UIARAAGTJLPDJV-UHFFFAOYSA-N	234.263	-0.336	50	10	BBGE	
CO[C@H]1CCCN(Cc2ccccc2B(O)O)C1	230335633	KSJCGGONRMLBQX-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
CC(C)[C@H](NC(=O)NC(=O)[C@H](C)Cl)C(N)=O	231058816	RTTZTYFVOXXOAC-WDSKDSINSA-N	249.698	-0.051	50	10	BBGE	
COC[C@H](Sc1ccc(N)nc1)C(=O)NN	232421562	ZFTDWIQGXUZZJK-ZETCQYMHSA-N	242.304	-0.239	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H]1CO	251517342	JBIKVNMHRZUZRU-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CNNC(=O)C[C@@H](N)c1ccc2c(c1)CC(=O)N2	259026717	JGJAJNINLKCFSQ-SECBINFHSA-N	248.286	-0.178	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1C	300000202	ZMRQEJVVIDYUHK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1[C@@H](C)CC(=O)NN	304549012	LZSOGHMZUXDGBE-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CCSCCN1C(=O)C(=O)NN	306779955	BDPNTXPLJVJPGA-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
CC(=NNC(=O)C(N)=O)c1cccc(N)c1	309288056	PJNLQWMWLMMYNU-UHFFFAOYSA-N	220.232	-0.406	50	10	BBGE	
CC[C@@H](C)N(CCO)CC(=O)NNC(C)=O	380601773	VLVMPWNIARZEIT-MRVPVSSYSA-N	231.296	-0.754	50	10	BBGE	
CC[C@@H](Sc1n[nH]c(=NC)s1)C(=O)NN	385259624	VAWKMXXYVOLFAJ-SCSAIBSYSA-N	247.349	-0.138	50	10	BBGE	
COC[C@@H](OCCOC1CCC1)C(=O)NN	400772253	YCGSYCXCEMMOND-SECBINFHSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1B(O)O	405014859	SSMUBDYQUPHGPF-IUCAKERBSA-N	249.075	-0.270	50	10	BBGE	
C#CCOC(=O)NCc1cccc(B(O)O)c1	405078673	JTYIEIVIXDTKCT-UHFFFAOYSA-N	233.032	-0.774	50	10	BBGE	
O=S(=O)(CBr)NN1CCC1	686763975	WZDVTUBXJQZVMH-UHFFFAOYSA-N	229.099	-0.121	50	10	BBGE	
Cn1c([N+](=O)[O-])cnc1C=NNC(N)=O	687761564	AMNOHUABKNGDFS-UHFFFAOYSA-N	212.169	-0.670	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@@H]1O	689846769	WBMJESXSKOUZSK-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
CN(CCO)CCN(C)C(=O)CCCl	691268744	OXYWFEUCPJUIJE-UHFFFAOYSA-N	222.716	-0.002	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC2(COC2)C1	697144291	MWLHNWVKAXSUCD-UHFFFAOYSA-N	248.286	-0.483	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)C[C@H]1CO	698215178	OPVDAZMFORZLJJ-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
Cc1nccnc1CN(C)C[C@@H](C)C(=O)NN	704143205	FBUWZMOJUOACIB-MRVPVSSYSA-N	237.307	-0.157	50	10	BBGE	
CN(C)NC(=O)NCc1cc(C(=O)O)no1	704357328	OVCZSLRMOPXKBO-UHFFFAOYSA-N	228.208	-0.351	50	10	BBGE	
C[C@H]1COC[C@H]1C(=O)Nc1ccccc1B(O)O	705220022	XRYRXATZLDPMFU-DTWKUNHWSA-N	249.075	-0.413	50	10	BBGE	
NS(=O)(=O)[C@H]1CCN(C(=O)CCl)C1	707498578	FWOWMFHULCEKFP-YFKPBYRVSA-N	226.685	-0.885	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)C(=O)NN	718259872	NHPZFIAVBASONZ-ZKKRXERASA-N	239.319	-0.278	50	10	BBGE	
CC(C)OC(=O)NCc1cnc(B(O)O)s1	718815713	YKCFIBAYTDCEMY-UHFFFAOYSA-N	244.081	-0.543	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1C[C@H]2CCCN(C2)C1	718919020	VWULHPHLKGFAMN-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@]1(C)CO	723000926	UAWDWGIXSWRVQF-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723697320	MZAGCJWCZRGWQY-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
C[N+]1=C/C(=N/[S@+]([O])(=O)CCCl)NC1	725678694	AVAIXIFPFHNFQP-ZDUSSCGKSA-N	224.693	-0.343	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCO1	729391990	XHGUNADLPOCIHR-JTQLQIEISA-N	249.270	-0.050	50	10	BBGE	
Cc1ccc(O)c(C=NNC(=O)CO)n1	776776435	HZYLDERKOOVIQX-UHFFFAOYSA-N	209.205	-0.462	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	864992298	GPICGPOLWBWEFT-FSDSQADBSA-N	215.253	-0.240	50	10	BBGE	
CCO[C@H]1COCC[C@H]1CC(=O)NN	870852750	MOMZSVWFVRFWRL-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CC2COC2)n[nH]1	901250829	CIJGQGXAXAPBNA-UHFFFAOYSA-N	238.247	-0.484	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1	931969007	YZJAONQDNVNGCV-NXEZZACHSA-N	249.270	-0.194	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncccn2)on1	1129833500	VRFCVWSLTDAPLW-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1ccnn1C	1320370478	GUISLSJOBNRYKP-UHFFFAOYSA-N	239.279	-0.297	50	10	BBGE	
CN(NC(=O)Cc1nc(C2CC2)n[nH]1)C(N)=O	1630878656	UUTPCRJRXGGKOG-UHFFFAOYSA-N	238.251	-0.734	50	10	BBGE	
C[C@H](NC(N)=O)C(=O)NNc1ccc(F)cn1	1633901584	UBVMKIBICDFRBK-YFKPBYRVSA-N	241.226	-0.279	50	10	BBGE	
COc1ccc(NNC(=O)C2(O)COC2)nc1	1634280953	ULCHHKXMKDMIDV-UHFFFAOYSA-N	239.231	-0.705	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2C[C@@H]2Br)C1=O	1883529455	MSNCVMOREALWSY-IMJSIDKUSA-N	247.048	-0.152	50	10	BBGE	
CCCCNC(=O)NCC=CB(O)O	1892924756	QFAGUSKYUJIKSQ-UHFFFAOYSA-N	200.047	-0.346	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1893461582	QKEPPSXUPQDPKW-OSMVPFSASA-N	218.684	-0.466	50	10	BBGE	
C[C@H](CO)N(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1895941872	YRQSJAHJTYLXGH-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@@]2(CO)C1	1899671745	LLKFRYWNYFAQBI-YUMQZZPRSA-N	239.724	-0.131	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cnsc1B(O)O	1900453334	WPLAJMBPDKOLRM-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C=C[C@H](N)C1	1901343617	FKQJWZDBFQFJGE-SFYZADRCSA-N	247.320	-0.798	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@@H](F)C1	1905000529	XVLJUWZAANUTCP-DTORHVGOSA-N	233.287	-0.327	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1coc(B(O)O)c1	1905063335	NYDNJSWPUBDMOX-KNVOCYPGSA-N	227.000	-0.810	50	10	BBGE	
C[C@@H]1C[C@H]1Cn1cnc2c(B(O)O)ncnc21	1909214353	MPDBSFPJFZQGCY-RQJHMYQMSA-N	232.052	-0.838	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1ncccc1B(O)O	1913605402	GBOROJQKVRURHM-WRWORJQWSA-N	234.064	-0.254	50	10	BBGE	
CCN(CCCCC(=O)NN)S(C)(=O)=O	1913823250	GRWAJRZWQNAMMF-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](CC(C)C)C(=O)NN	1916202870	SNQAQJWKSBVESO-DTWKUNHWSA-N	244.339	-0.543	50	10	BBGE	
C[C@@H](NC(N)=O)C(=O)N1CC=C(C#N)CC1	1917082878	VCJRTRJJGNADCH-SSDOTTSWSA-N	222.248	-0.275	50	10	BBGE	
CCCN(OC)[C@@H](COC)C(=O)NN	1928675678	TUPSDADOVQNOPO-ZETCQYMHSA-N	205.258	-0.735	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1CC(=O)NN	1930115809	KRACKIAIIQLFOC-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CN(C)NC(=O)[C@@H](CN)C1CCOCC1	1930478973	BJINISURVXUZRR-VIFPVBQESA-N	215.297	-0.419	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NNC(N)=O)S1	1931580809	JIRABTREPSQCTR-CRCLSJGQSA-N	203.267	-0.030	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@]1(C)CO	1932968531	YCYKTDIWIYVZKZ-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCCC[C@@H]21	1936529493	LXQNZKYAKBIUSU-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](Cl)C(=O)NCCC[C@@H]1NC(=O)NC1=O	1937750845	BLFJTLBCTJOYKV-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941086905	KWSCEKHFSXDXBF-CHWFTXMASA-N	240.351	-0.363	50	10	BBGE	
CO[C@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1941092753	LNSPFMWPZIDGQZ-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
COc1cc(OC)n(C[C@H]2C[C@@H]2C(=O)NN)n1	1944785600	IUQUKPAKPJEYOU-RQJHMYQMSA-N	240.263	-0.474	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(CC2(C(=O)NN)CC2)C1	1945891337	KIYZMPTYKHXJHX-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1945903124	AXTVUMXEDOOYKC-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
COC[C@]1(OC)CCCN(CCC(=O)NN)C1	1946472965	GDOIBVOGUBATNK-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
COc1cc(C[C@H](O)C#N)c(OC)nn1	1952224524	IIQBJUQNYVFKMR-ZETCQYMHSA-N	209.205	-0.079	50	10	BBGE	
NC(=O)C1CN(C[C@H](O)CBr)C1	1953617522	IITFQGVUKUZXBO-ZCFIWIBFSA-N	237.097	-0.841	50	10	BBGE	
C[S@](=O)CC1CN(C[C@H](Cl)C(=O)O)C1	1954990593	IZXLJTPFEAPIKP-WJWGPLDTSA-N	239.724	-0.011	50	10	BBGE	
NNC(=O)CN1C[C@@H](C(F)F)CC1=O	1957254493	WHYIDXIZRUEAID-BYPYZUCNSA-N	207.180	-0.910	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1ncncc1N	1957981859	SKYUVFQPRHEJDV-YFKPBYRVSA-N	227.293	-0.081	50	10	BBGE	
CC1(C)C[C@H](CC(=O)NCB(O)O)CO1	1958419317	SGHJPYRNJPQKGK-ZETCQYMHSA-N	215.058	-0.680	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1[C@H](C(=O)O)C1(C)C	1958819502	PWPVCUHBQWGCKE-PHDIDXHHSA-N	215.253	-0.129	50	10	BBGE	
NNC(=O)COCCN1CC2(F)CC1C2	1960684592	NGZCAKRTKUENDW-UHFFFAOYSA-N	217.244	-0.821	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(CCCCl)C2)N1	1961311936	ZMUMVCZCFZEOQL-VIFPVBQESA-N	231.683	-0.101	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC12COC2	1961512481	GLWZRHVKJSSOIV-HTQZYQBOSA-N	211.265	-0.913	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC2(F)CC1C2	1974273236	TXZOMJPGECYTRJ-UHFFFAOYSA-N	249.050	-0.307	50	10	BBGE	
CN(Cc1cnsn1)CC(C)(C)C(=O)NN	1979642666	BQZVILPJBVKLIN-UHFFFAOYSA-N	243.336	-0.014	50	10	BBGE	
C[C@H]1OCCN(c2nc(B(O)O)cs2)[C@@H]1C	1981468810	IPPRHXPOVMUDCF-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
CC1(C)CNC(=O)CN1C(=O)NC(=O)CCl	1982760696	UONIBVJJAZQALO-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
C[C@H]1CN(CCC(F)(F)C(=O)NN)C[C@H]1O	1984130856	ZQJCBZDDNBPZOU-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
COC[C@@H](OC1C(F)(F)C1(F)F)C(=O)NN	1985877966	RIRKUKPRBPHXGH-GSVOUGTGSA-N	246.160	-0.339	50	10	BBGE	
C[C@@H]1C[C@@]1(C)Cn1cc(B(O)O)ccc1=O	1988998152	UHFOWCNPGZEUHL-KCJUWKMLSA-N	221.065	-0.426	50	10	BBGE	
CCCN(C)C1CN([C@@H](CC)C(=O)NN)C1	1989652916	CCLSPOSXPITDIH-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
CN(CCF)C[C@H]1CCC[C@H](C(=O)NN)O1	1990164317	LIZPYPLLYFCUNP-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N[C@H]1CCC=C1B(O)O	1991329837	JTNPBYLKYLJTRL-YEPSODPASA-N	245.109	-0.585	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1991685754	NBMVAVCMPXFYJB-KVQBGUIXSA-N	249.650	-0.254	50	10	BBGE	
O=C(O)CN1CC(CNC(=O)[C@H]2C[C@@H]2Cl)C1	1991695126	XMEVBDCZAMWMSG-YUMQZZPRSA-N	246.694	-0.254	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3nc(B(O)O)cs3)C[C@@H]12	1995063307	WYAQSZWAMMYQTP-CSMHCCOUSA-N	238.121	-0.085	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@@H]2C[C@H]21	1995201586	XMBPHVUOYQONNW-NQMVMOMDSA-N	219.049	-0.061	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(F)(CO)CC1	1995937711	NPVXHEPFIRIWOL-IUCAKERBSA-N	247.314	-0.203	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1ncc(B(O)O)cn1	1996645832	OUHYTSAIIQFRRV-LDWIPMOCSA-N	235.052	-0.859	50	10	BBGE	
Cc1nc(CN(C)CC(C)(C)C(=O)NN)no1	1997752590	OUTMXLPSFNWIMX-UHFFFAOYSA-N	241.295	-0.174	50	10	BBGE	
CCn1ncnc1CN(C)CCCC(=O)NN	2002659426	XYKIMESGWYGTLM-UHFFFAOYSA-N	240.311	-0.500	50	10	BBGE	
CN(Cc1ccsc1)c1ncncc1B(O)O	2004914986	UTUQPDSWBNXLGL-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@H]2C[C@H]2C1	2004935306	MWSNKILMPQHYJZ-XHNCKOQMSA-N	234.064	-0.276	50	10	BBGE	
Cc1nc(N(C)[C@H]2CC[C@@H]2C)ncc1B(O)O	2004976037	HQGGFFARRAAWPO-XVKPBYJWSA-N	235.096	-0.300	50	10	BBGE	
Cc1cnc(-n2nc(C)cc2C)c(B(O)O)c1	2005008746	CSUCTLFYVDKLMM-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
CCc1cnn(-c2nc(C)ncc2B(O)O)c1	2005009509	OJCFYKFKQIMGNI-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](C(C)(C)O)C1	2005912127	HMIHWLKBWOBCDC-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
C=CC[C@@H](C)n1cnc2c(B(O)O)ncnc21	2007067759	BSXMNISWDVJCPY-SSDOTTSWSA-N	232.052	-0.357	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC=C[C@@H]1CO	2007496406	SYJMDYWXPCZUTD-MRVPVSSYSA-N	237.259	-0.384	50	10	BBGE	
Cc1ncncc1CN(C)CCCC(=O)NN	2009049784	KTRLHMRRVHCUDR-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H](F)C[C@H](F)C2)nc1	2011404712	ALOUTNUYVPFNBL-YUMQZZPRSA-N	243.022	-0.957	50	10	BBGE	
COCC1CC2(C1)CN(C[C@@H](C)C(=O)NN)C2	2013616894	URIFWZQDVGVZBG-SECBINFHSA-N	241.335	-0.029	50	10	BBGE	
COC[C@@H](C)CCOc1ccc(B(O)O)cn1	2014226927	VDWVHOWTWBZKLH-VIFPVBQESA-N	239.080	-0.187	50	10	BBGE	
C=C(CN(CCOC)C1CCOCC1)B(O)O	2021157344	KXLZJTAJCVMTGM-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
O=C(NCC#CB(O)O)c1c(F)cccc1F	2021164969	OLYDWKVZZULZJK-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C1(C)COC1	2026727292	RMQFUZPHEQNUBQ-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
O=C(C1CC1)N1CCc2cc(B(O)O)ccc2C1	2032569720	NOMUXQASDWWDDO-UHFFFAOYSA-N	245.087	-0.339	50	10	BBGE	
Cc1cc(OCc2ccnn2C)cc(B(O)O)c1	2049639553	GHCVDBHXKYYOHH-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1ncnc(N2C[C@H]3[C@H](C2)C3(C)C)c1B(O)O	2052557771	AMALWCKNLPALRU-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N(C)CC2[C@@H](C)[C@@H]2C)ncc1B(O)O	2052559961	QYMDNDDARPROON-YUMQZZPRSA-N	249.123	-0.197	50	10	BBGE	
Cc1nc(N2CC(C)(N(C)C)C2)ccc1B(O)O	2052626615	WQWNQJBPMRKEMH-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCOc1c(C=O)ccc(C#N)c1B(O)O	2060186678	TXMCWTULVVAYJV-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1cc(C=O)cc(B(O)O)c1[N+](=O)[O-]	2060270104	AAVQLANOXNBLKU-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(CC(=O)NN)cc1	2062245021	MBEZEQKVOGTKKN-CABZTGNLSA-N	249.314	-0.216	50	10	BBGE	
Cc1ccc(OC[C@@H]2[C@H]3COC[C@H]32)c(B(O)O)c1	2068638375	DVWDTVWJSJNFKQ-URLYPYJESA-N	248.087	-0.054	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@@H]2C2CC2)n1	2079931926	LVYZOQZHXSALFK-NXEZZACHSA-N	248.091	-0.110	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCSC1	2212602309	BPUUAUFBAFIWAY-SECBINFHSA-N	238.121	-0.297	50	10	BBGE	
CCC1CC(Nc2ncc(B(O)O)cn2)C1	2212603546	PLIWRJJSXZRCHQ-UHFFFAOYSA-N	221.069	-0.243	50	10	BBGE	
C=C[C@H]1CCCN1c1ccc(B(O)O)cn1	2212610672	MUEOWDZCADJEKR-JTQLQIEISA-N	218.065	-0.084	50	10	BBGE	
CCNC(=O)CN(C)C[C@H]1CC[C@@H]1C(=O)NN	2215775337	ZZSMZLBVTYJXBJ-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1ccc(O)cc1=O	2215776751	ORWLPWGVWUXNPG-VXNVDRBHSA-N	237.259	-0.430	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC(F)(F)C1=O	2215776785	OWDNEHAEYDAWKH-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
CN(c1ccncc1B(O)O)C1C[C@@H]2C[C@H]2C1	2216547376	MKZAHOZKXRIGRP-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1Nc1ccc(B(O)O)cn1	2217178180	SFLKMXMPFFJJDH-KHQFGBGNSA-N	236.080	-0.261	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CC=CC[C@H]32)nc1	2217181374	OXEUHRPIGZRFIA-GXSJLCMTSA-N	230.076	-0.084	50	10	BBGE	
CC[C@H](N)CN(C)c1nccc(B(O)O)c1F	2217181616	SDDIWPBLWMTXTG-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
CC[C@@H](CO)CNc1nccc(B(O)O)c1F	2217185590	ZHTOXSSGEGNSFX-SSDOTTSWSA-N	242.059	-0.669	50	10	BBGE	
C=CCC[C@H](CO)Nc1ncccc1B(O)O	2217202159	INDOENDOMKBASQ-SECBINFHSA-N	236.080	-0.500	50	10	BBGE	
Cc1cnc(N[C@@H](C)c2cn[nH]c2)cc1B(O)O	2223641402	TXWNJIVUSJXGSH-QMMMGPOBSA-N	246.079	-0.034	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223671551	NTQLAVXLCSWZKY-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)[C@H]2CC[C@H]21	2223675488	WYAFEYPUEKXNAV-MNOVXSKESA-N	247.107	-0.956	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C(F)(F)F	2241560272	RZJMFDMTKMDTRE-UHFFFAOYSA-N	233.942	-0.738	50	10	BBGE	
Cc1csc(CCNC(=O)C#CB(O)O)n1	2243349905	SHGUYGRNCHEBQD-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
Cc1cnccc1N(C)C(=O)C#CB(O)O	2243361514	CHXULPSLGJALSE-UHFFFAOYSA-N	218.021	-0.632	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2243362536	SJEUEGNZEFVVOA-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C2(B(O)O)CC2)CO1	2243363514	HWIRLSBJNBPFCZ-JGVFFNPUSA-N	227.069	-0.371	50	10	BBGE	
O=C(NCC1(O)CCC1)[C@H]1C[C@@H](B(O)O)C1	2243382422	OBQYXIKAACGBKU-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NC(C)(C)C	2243385132	CYMRKBZXARBODL-UHFFFAOYSA-N	242.109	-0.340	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396637	OTLZBESGIANYTM-JBDRJPRFSA-N	229.085	-0.628	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2csc(B(O)O)c2)C1	2243408550	PHDLAZMFQMUYED-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
CC1(F)CN(C(=O)c2nscc2B(O)O)C1	2243410579	DOLGPYPLCNHLLM-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
CC(C)NC(=O)c1ccc(B(O)O)cc1O	2243435470	QZUJQBIFESNLGL-UHFFFAOYSA-N	223.037	-0.790	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1nscc1B(O)O	2243679380	XJDKJAMNWDSINN-ZCFIWIBFSA-N	238.077	-0.977	50	10	BBGE	
NNC(=O)C(=O)Nc1nc2ccccc2o1	2245955522	FVTSCWZKDZEAMF-UHFFFAOYSA-N	220.188	-0.244	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@@H]1CCO1	2246185373	FNQAPDLXVKCFEW-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
CCC1(C)CN(C(=O)c2coc(B(O)O)c2)C1	2247734169	FWIBSPCZHXARQA-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CCC(CC)NC(=O)c1nn(C)cc1B(O)O	2247744995	AIMHVOJFPBWVKK-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)C1(B(O)O)CCC1	2247749827	AEEBMRGJSIMEHU-SECBINFHSA-N	243.112	-0.093	50	10	BBGE	
CC1(NC(=O)c2occc2B(O)O)CC=CC1	2247750668	MPEHHRMQAORUMK-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
NCC1CC(F)(CNC(=O)C2(B(O)O)CC2)C1	2247754283	LXLHCRWPPJFJLO-UHFFFAOYSA-N	244.075	-0.813	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2247758705	WDXMATJJWCWAMM-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1c[nH]nc1B(O)O	2247786120	WEEZTUIVVCVEHF-JTQLQIEISA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)oc1B(O)O	2247788775	KWXLYRVRWVSHEN-XPUUQOCRSA-N	237.064	-0.346	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cc(B(O)O)cs1	2247795478	JIUHIZXLHTVMKC-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
CC1(CNC(=O)c2c[nH]nc2B(O)O)CCC1	2247800124	LLSVQZDELGMSHD-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@@H]1O)[C@H]1C[C@H]1B(O)O	2247805056	AOSVZGKKIQHMKY-JQCXWYLXSA-N	239.080	-0.731	50	10	BBGE	
O=C1CC2(CCC2)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247805424	KEAOSBBSVKLCOP-JGVFFNPUSA-N	237.064	-0.222	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2247810195	VOJFPOIPSMRQGL-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1ccoc1B(O)O	2247868855	IRVMDQZKKJZGFL-MRVPVSSYSA-N	235.048	-0.368	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247877614	CFBGQQTWRBTQDR-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)COCCN(C(=O)C2(B(O)O)CC2)C1	2247878372	NYFIURUBMPRXQC-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
CC(C)C[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2247880258	YNJKJEIWOVKAIL-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
Nc1cccc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247899508	NRPVXHRWHKOPGR-VHSXEESVSA-N	234.064	-0.252	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCOC1	2247899964	RVQXOVYWVVEHFI-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC=C[C@@H]1CO	2247903607	LVNZVCYFUMDTOR-UDNWOFFPSA-N	239.080	-0.611	50	10	BBGE	
CC=CC(=O)N1CCc2ccc(B(O)O)cc21	2248397758	OAHNBHFPJOYWAE-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
Cc1cc(NC(=O)C[C@H](C)O)cc(B(O)O)c1	2248442948	WANAHULNSWWENS-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
C=CCC[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248578952	PADWWWQFXHDDRE-XLPZGREQSA-N	241.052	-0.615	50	10	BBGE	
CC1([C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C(=O)O)CC1	2248593806	QKSBFKAUSHLKDM-RRKCRQDMSA-N	241.052	-0.781	50	10	BBGE	
COC[C@]1(C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248647235	OGFJDKBYDVSUFZ-LOKLDPHHSA-N	241.096	-0.219	50	10	BBGE	
C=CCN(CCC)C(=O)c1cc(B(O)O)co1	2249430247	ZQZJVVWDANMRND-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2COC[C@H]1C2	2249923513	WPZHUKXWSYWHJA-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
N#CC1=CCN(C[C@@H]2CO[C@H]3CNC[C@@H]3O2)CC1	2253908187	SKUJYERTXYYARG-AGIUHOORSA-N	249.314	-0.102	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)c[nH]2)C=CCCC1	2255474336	QWYPJCQZPRALAM-GFCCVEGCSA-N	248.091	-0.077	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)N1CC=CC1	2255502196	WRLGOXNHNQYWHC-UHFFFAOYSA-N	248.091	-0.239	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1ccc(B(O)O)cc1	2255520133	HFBPCKLJDIQTTH-UHFFFAOYSA-N	247.059	-0.483	50	10	BBGE	
O=C(NCCc1ccnnc1)C1CC(B(O)O)C1	2255568378	LZUOFTISHMFYOQ-UHFFFAOYSA-N	249.079	-0.612	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)N[C@H]2C=CCC2)n1	2255576124	ATJSASCWTAGBRS-QMMMGPOBSA-N	249.079	-0.969	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298166197	ZSJJLCRRYFKTBV-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1C	2298371556	OXCPGTSYUUZHDR-AXTSPUMRSA-N	240.112	-0.694	50	10	BBGE	
CC(C)C[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375213	ADGRLWYLLGVTOC-BBBLOLIVSA-N	243.112	-0.380	50	10	BBGE	
C=C(CN1C[C@H]2OCC[C@@]2(COC)C1)B(O)O	2299763768	LZOFDBGIGKYJBX-MNOVXSKESA-N	241.096	-0.708	50	10	BBGE	
C[C@]1(N)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(F)F	2299950119	HYZDQLQBBQIYMD-JKMUOGBPSA-N	248.038	-0.956	50	10	BBGE	
CNC[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301420464	GJMXISPAUVWFIM-MRVPVSSYSA-N	237.064	-0.834	50	10	BBGE	
COC[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301420490	GQMNWRBPYJPZRO-MRVPVSSYSA-N	238.048	-0.407	50	10	BBGE	
CC(C)=C(CN1C[C@H]2CN(C)C[C@@H]2C1)B(O)O	2301951729	CHXKEQMIJGEKFA-GHMZBOCLSA-N	238.140	-0.172	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@](F)(CO)C1	2302050782	UGNVFEGSXDEKPN-MWLCHTKSSA-N	247.314	-0.059	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H]1COC[C@@H]1O	2302053335	RWOCOFIJDLPJFA-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@@H]1C2	2312849845	ZABWBGYYYPIBKC-CVJICSNFSA-N	249.079	-0.992	50	10	BBGE	
C#CCCC(=O)Nc1ccc(OC)c(B(O)O)c1	2317460560	PGPUQTHXRMKXIY-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
CCCNC(=S)NNC(=O)CC#N	6854472	MZJCSUOVAIHHQN-UHFFFAOYSA-N	200.267	-0.195	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)CC1	36905964	LGVKSMHKDRCGFP-UHFFFAOYSA-N	219.672	-0.291	50	10	BBGE	
CSCC(=O)NNC(=O)NC1CC1	49128897	PTAZNKBFKKYUEX-UHFFFAOYSA-N	203.267	-0.158	50	10	BBGE	
COc1ccc(CC(=O)NNC(N)=O)cc1	70190735	QGRSWZVAQSXZKY-UHFFFAOYSA-N	223.232	-0.063	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@H](O)C1	82468679	MBSIWXRUZJIIGK-ZETCQYMHSA-N	225.248	-0.550	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H]1CO	82470216	CBVTWSIVXKCNLH-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	82485304	CPYPCEZUDYQKQS-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(O)C2	104258775	HISMVFPYFMKWOW-IUCAKERBSA-N	241.291	-0.859	50	10	BBGE	
COC(=O)[C@@H](C(=O)CBr)[N+](=O)[O-]	106579705	DDRMGUAFPBQVET-SCSAIBSYSA-N	240.009	-0.231	50	10	BBGE	
CSC[C@H](C)C(=O)NNC(=O)c1c[nH]nn1	108994997	BMRQKKTXVNCALN-YFKPBYRVSA-N	243.292	-0.435	50	10	BBGE	
Cc1cc(=O)n(Cc2occc2C(=O)NN)cn1	110579716	JLLNOSKGZCZMHH-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCCNC1	110944851	HLCNLISPYOAYCT-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
COCCS(=O)(=O)NNC(=O)c1ccoc1	154385003	LLCWEWAGKPIYNE-UHFFFAOYSA-N	248.260	-0.510	50	10	BBGE	
Cc1cnc(=O)n(Cc2ccccc2B(O)O)c1	198998893	DOCZWFKESWHCPR-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
COCCCOc1cncc(B(O)O)c1	203524323	XDNCTVDNCRFBFF-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
C[C@H](O)CCN(C)CC(C)(C)C(=O)NN	220008766	WAPIAFIDSUVODA-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
COc1ccccc1CCNC(=O)C(=O)NN	230302446	XVFYMKFQXGHEOI-UHFFFAOYSA-N	237.259	-0.656	50	10	BBGE	
C[C@@H](Br)C(=O)NC(CO)CO	235139245	HZVPMWXIYQQLMR-SCSAIBSYSA-N	226.070	-0.761	50	10	BBGE	
CCCNC(=O)CSCCC(=O)NN	300796339	DSQZDEXEDCCDHF-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
O=S1(=O)CC(n2nnnc2CCl)C1	307633687	OJTHKCRKAPCVNP-UHFFFAOYSA-N	222.657	-0.619	50	10	BBGE	
C[C@H](N)CN(C)CC(=O)NNc1ccccn1	310293946	OJYQRAKCOQGJEW-VIFPVBQESA-N	237.307	-0.196	50	10	BBGE	
CCN(Cc1ccccc1B(O)O)[C@H]1CCOC1	310990994	LFVQBGPYMQCDPC-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
CCC1(O)CN([C@@H](C(=O)NN)C(C)C)C1	384168423	SZJXWHMYDCWXAT-MRVPVSSYSA-N	215.297	-0.542	50	10	BBGE	
Cn1ncc(CNS(=O)(=O)CCCl)n1	389823530	MZXIMFNJKSSFEW-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@]1(C)CCCN1	390769356	URMDUMRAMPKCLH-SECBINFHSA-N	215.253	-0.094	50	10	BBGE	
O=C(CCl)Cc1ccc(O)c(B(O)O)c1	396021311	KGIBEZAARTUSMN-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
OCc1ccc(O)c2cc(B(O)O)sc12	396340406	LCJQSLDHOANUJU-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCCOC1	401440948	ARKPOSIJECYTDY-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
Br[C@@H]1CN[C@@H]2[C@H]3CCN[C@@H]3NCN21	605699482	NXIYUODFZNXMKV-HSNKUXOKSA-N	247.140	-0.565	50	10	BBGE	
C[C@H]1[C@H](O)C[C@H]2CC[C@H]1N2CCCC(=O)NN	686194316	XJZBGNPUUWBZAW-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(C=O)CCOC2)CC1	692098242	RPURSLVSQRFVBX-LLVKDONJSA-N	238.287	-0.058	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCn2cccn2)c1	699671890	ZFRUHPAVDDBJES-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
COCCC1(C(=O)NN(C)C)CCNCC1	700085993	HRQMSDXZAPGJDV-UHFFFAOYSA-N	229.324	-0.015	50	10	BBGE	
Cn1nnc(C(=O)N2CCOC[C@H]2CCl)n1	700331606	XPEARVYUIXNKLZ-ZCFIWIBFSA-N	245.670	-0.710	50	10	BBGE	
NC(=O)NNC(=O)CCN1CCCC1	700859166	JLZBHNRWYPIYNF-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)OCCl)C[C@@H]12	703041138	VDNWDTIEEKYVMB-RFZPGFLSSA-N	232.623	-0.476	50	10	BBGE	
O=C(OCCl)N1C[C@@H](CO)[C@H](CO)C1	705330283	OPGLLWOMKILJFG-BQBZGAKWSA-N	223.656	-0.148	50	10	BBGE	
CC[C@H](Sc1nnnn1CC)C(=O)NN	706553580	QIJCBIJMMCSEBL-YFKPBYRVSA-N	230.297	-0.446	50	10	BBGE	
CCOC[C@@H]1CN([C@@H](C)CC(=O)NN)CCO1	706700021	JUUKROPMTJSTQE-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(n2cccn2)C1	707305246	CBWXXKHKCBJVDK-QMMMGPOBSA-N	223.280	-0.492	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710479952	WAPYUOGIWDQPHQ-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
O=C(C[C@@H]1CCCC1(F)F)NCB(O)O	714022907	IZPUCMXINWITKP-LURJTMIESA-N	221.012	-0.060	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CSC1	718296251	WRTZELVCTJOYMI-QMMMGPOBSA-N	233.337	-0.714	50	10	BBGE	
C[C@@H]1CC(Cn2ccc(B(O)O)n2)C[C@@H](C)O1	725124035	CHYPEHOHYRJQEL-RKDXNWHRSA-N	238.096	-0.234	50	10	BBGE	
COCc1nc(C(=O)NNC(=O)C2CC2)co1	775764177	BGDOEBPULXDEQK-UHFFFAOYSA-N	239.231	-0.008	50	10	BBGE	
C#CCC(CC#C)C(=O)NNc1nc[nH]n1	816632335	DMFFTMOCMOLQGY-UHFFFAOYSA-N	217.232	-0.089	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCCS1	854985389	QKLHELSRQDQENO-XVKPBYJWSA-N	244.316	-0.034	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@](C)(O)C2CC2)n1C	856045815	LLYTXIFLBMKTRR-JTQLQIEISA-N	239.279	-0.272	50	10	BBGE	
CCNC(=O)NNC(=O)COCC(F)F	858781492	DJKIFMWSYOAIMQ-UHFFFAOYSA-N	225.195	-0.382	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2cccnn2)CO1	860752880	ZGSGKYTUNYLYDQ-YFKPBYRVSA-N	223.192	-0.972	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H]1COC(=O)N1	887147763	ATMVEHYKDRTOJK-ZETCQYMHSA-N	239.231	-0.954	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CCCN(C)C1=O	908112548	FEOMRJIJJDLKSY-SSDOTTSWSA-N	243.263	-0.416	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](F)[C@H](O)C1	1260930095	NSHPPBBVVBDADL-CRCLSJGQSA-N	217.649	-0.473	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@]1(C#N)CCCOC1	1348524401	MHRDHRJKQFMPIG-JTQLQIEISA-N	240.263	-0.391	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ccnc(F)c2)N1	1556155925	CSKXZVSZRFLMFT-LURJTMIESA-N	224.195	-0.448	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccnnc1	1639371544	GSFSGRNNWZJQKM-OCAPTIKFSA-N	236.231	-0.992	50	10	BBGE	
CC(C)(CO)C(=O)NNC(=O)c1cnsn1	1645084004	FUUPHQSOQBJDNG-UHFFFAOYSA-N	244.276	-0.682	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1Br	1877391987	NHCAKXQYCFWFCV-SRQIZXRXSA-N	247.092	-0.144	50	10	BBGE	
O=C(F)NCc1sccc1B(O)O	1882788871	CQTSHEHHDOWWHF-UHFFFAOYSA-N	203.003	-0.393	50	10	BBGE	
CC(=O)N[C@@H](C)c1nscc1B(O)O	1886863117	VWJQSKVAPMWWNC-BYPYZUCNSA-N	214.055	-0.980	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NN)C[C@]1(C)O	1889151137	RNGCZOBHLUXINL-APPZFPTMSA-N	201.270	-0.931	50	10	BBGE	
COC(=O)[C@H](N)C[S@](=O)C[C@@H]1C[C@@H]1Cl	1893117500	AZBJDFGTSQATQS-FXCQHETPSA-N	239.724	-0.137	50	10	BBGE	
O=C(NC1(CO)CC(O)C1)[C@@H]1C[C@@H]1Cl	1893471169	ZOLGWPIPASMODE-SSCUJNNDSA-N	219.668	-0.384	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(F)cn1	1894918224	DJZUGLXOOZOYNT-ZCFIWIBFSA-N	202.189	-0.800	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@@H]1CO	1900666145	JEAXFFZWHPIPMV-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3C[C@H]3CO2)C1	1902505869	MMCHOVRQJNUHBU-YTWAJWBKSA-N	225.097	-0.040	50	10	BBGE	
Cc1scc(C(=O)N2CC(C)C2)c1B(O)O	1902866249	UYZOMYBCNMZWAH-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@@]12COC[C@@H]1C2	1906059228	LTRSGIFNTYFFPW-CBAPKCEASA-N	249.261	-0.420	50	10	BBGE	
CCCS(=O)(=O)N(C)CC1(C(=O)NN)CC1	1913474308	JTZBEWJMWYPLIZ-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC(C)(C(N)=O)C1	1914231526	DFXSASKJRGYECN-RXMQYKEDSA-N	247.682	-0.343	50	10	BBGE	
CN(CCOC1CC1)CC(F)(F)C(=O)NN	1914549090	APACGBLQCVEJOI-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C)[C@H](C)C(=O)NN	1916200174	JWVCCDCBATUBCM-RNJXMRFFSA-N	230.312	-0.933	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@@H]1CCNC1=O	1916202998	UIWRKQVOKWKQRI-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
C#C[C@H]1CCN(CC(=O)NNC(C)=O)C1	1930586394	UAUKJNBZVFPAGH-VIFPVBQESA-N	209.249	-0.891	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C(=O)O1	1931266441	GAJWFMYRRZMWPA-ZCFIWIBFSA-N	213.237	-0.403	50	10	BBGE	
NNC(=O)CN1CCOC2(CCCC2)C1	1932355660	VWVRUKBZSUSRAV-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
C[C@@]1(CCl)CCN1C(=O)Cn1cnnn1	1932967047	JEIOAVGNNDKAHD-QMMMGPOBSA-N	229.671	-0.097	50	10	BBGE	
C[C@@H](c1cscn1)N(C)C(=O)C(=O)NN	1934612015	ALYNXJJOGFFFJH-YFKPBYRVSA-N	228.277	-0.348	50	10	BBGE	
C[C@H](N(C)CC(F)(F)C(=O)NN)C(C)(C)O	1935940916	GNKZTQGTRBIARF-LURJTMIESA-N	239.266	-0.297	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C(=O)NN)C(C)C	1937467568	LFMZIXIEJUFKRW-SNVBAGLBSA-N	228.340	-0.363	50	10	BBGE	
CCOC(C)(C)CO[C@@H](COC)C(=O)NN	1937873232	NOZNWKRUOIWFNR-QMMMGPOBSA-N	234.296	-0.177	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C3(CC3)C2)CC1	1938232494	KCCPQRZHGPJDCB-MRVPVSSYSA-N	225.292	-0.787	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CC1(C(=O)NN)CC1	1938233357	PUUPUGLHWIZTBI-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1[C@H]1CCCCO1	1941348795	KVFZBQYADMDXSO-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
NC(=O)NCCCNS(=O)(=O)CCl	1953867758	QOZKWWUJKFRNQO-UHFFFAOYSA-N	229.689	-0.840	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)CC(=O)N1	1954821160	SYFZHZAXLNBZHV-RNFRBKRXSA-N	206.673	-0.594	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955549875	SQPRQEMKIGCUIE-OVLTXKMTSA-N	219.668	-0.432	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CO[C@@H]2COC[C@@H]21	1955611991	ZVAQHNMPTCKQQX-DSYKOEDSSA-N	241.696	-0.484	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](CC)C(=O)NN	1955926270	ISBGNYAHQJTGTE-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CN(CCn1cncn1)C[C@@H](O)CCl	1956754518	QIIUCUNJANKDSA-QMMMGPOBSA-N	218.688	-0.190	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)[C@H](CN)C1	1957257956	XGESCLCWVJBPNW-RKDXNWHRSA-N	216.716	-0.308	50	10	BBGE	
Cc1cc(O)nc(CCNC(=O)NN)n1	1959603773	XEODZDBEQBMNPU-UHFFFAOYSA-N	211.225	-0.794	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2CC(C2)C1	1959798926	XRJGXMQZUXNHCH-QLEHZGMVSA-N	209.293	-0.046	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2C[C@H](O)C[C@H]2O)C1=O	1960150241	RIARLVLLJDRQQO-OKJYPTKPSA-N	233.695	-0.042	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]2CC[C@H]1O2	1960796124	BAKGGTXKJXZHDW-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCn2cccc2C1	1961381557	FULDYAIXMCMUBA-QMMMGPOBSA-N	208.265	-0.318	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@@H]2C)ccc1B(O)O	1961688300	SKWDRDBQSMNKMR-IMTBSYHQSA-N	207.038	-0.143	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[S@@]1=O	1981192286	QHPJNNKDHNNMPJ-BCTVWOGZSA-N	245.348	-0.791	50	10	BBGE	
OB(O)c1cccnc1OCc1ccco1	1981429364	CSLYJXUTQKKQKY-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
CCCOCCOc1ncccc1B(O)O	1981431202	WPVZMBBHYCHDBF-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CC1(C)CC[C@H]1n1cccc(B(O)O)c1=O	1984102356	SOVZPSRJENMFSM-SECBINFHSA-N	221.065	-0.111	50	10	BBGE	
C=C=CCC(=O)Nc1ncccc1B(O)O	1984716956	LXTLOMMYSJMQDZ-UHFFFAOYSA-N	218.021	-0.569	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1985768471	YOTSPBOTJNLFQO-RNJXMRFFSA-N	237.250	-0.627	50	10	BBGE	
CC(=O)NNC(=O)CN1OC2CCC1CC2	1990774362	HVLLSOCLAGDDAI-UHFFFAOYSA-N	227.264	-0.288	50	10	BBGE	
N#CC1=CCN(CCC(=O)NC(N)=O)CC1	1990775413	VMNXPBHCPOCPDB-UHFFFAOYSA-N	222.248	-0.273	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N(CCCO)CCCO	1991714691	KCPPBBCZYVCLME-ONEGZZNKSA-N	249.694	-0.099	50	10	BBGE	
NC(=O)[C@@H]1C(=O)NCCN1CC1CC(Cl)C1	1991718602	MVJYVWWGBWWTRV-KAVNDROISA-N	245.710	-0.711	50	10	BBGE	
Cc1coc(C(=O)N[C@H](CB(O)O)C(=O)O)c1	1998132113	BSUPOMOTQJMPHY-ZCFIWIBFSA-N	241.008	-0.756	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999849047	WZHRDGMFFYTTES-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](OC1C[C@H](OC)[C@@H](OC)C1)C(=O)NN	2001612137	JIYANGHCOVHPTI-GUBZILKMSA-N	246.307	-0.036	50	10	BBGE	
CCOCCOCc1nn(C)cc1C(=O)NN	2003510723	ZLMWFORUYHJEMJ-UHFFFAOYSA-N	242.279	-0.423	50	10	BBGE	
Cc1ccnc(N2C[C@H](F)[C@@H](F)C2)c1B(O)O	2004916824	QHRRGTGQAHPDBG-YUMQZZPRSA-N	242.034	-0.434	50	10	BBGE	
COc1nc(OC2CCCC2)ncc1B(O)O	2004925865	WLDYIBSDBNPSHP-UHFFFAOYSA-N	238.052	-0.514	50	10	BBGE	
Cc1nc(Sc2cnn(C)c2)ccc1B(O)O	2004992076	ZOPBKKCHHRLDNC-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CCN(CC1CC1)c1nc(C)ncc1B(O)O	2005015229	XQSDFXHNUZJBNG-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC[C@]1(C)CCN1c1ncc(B(O)O)c(C)n1	2007183428	BROPSPFWBXUTAC-LLVKDONJSA-N	235.096	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cncnc1	2009048813	DORFILHOZDIMDL-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
CCc1ccn(C[C@@H]2CC[C@@H](C(=O)NN)O2)n1	2012149909	WMJBQVWNFYSCSM-UWVGGRQHSA-N	238.291	-0.017	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H]2COC[C@H]21	2013469067	SGAHBMSBQROINN-IONNQARKSA-N	237.259	-0.286	50	10	BBGE	
CN1CCC[C@H](Oc2ccc(B(O)O)cn2)C1	2021069254	XKXIYTSGNRHFMS-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
CCN(C)C1CN(Cc2cccc(B(O)O)c2)C1	2050306329	USGATMPCSIWKKZ-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
Cc1nc(N2CC[C@H]2CN(C)C)ccc1B(O)O	2052626715	FKJDBVZAOIDMHB-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCOc1ccc(F)c(B(O)O)c1C=O	2060112277	JVCJCZCSHSJFGA-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
Cc1cc(C=O)c(B(O)O)c([N+](=O)[O-])c1	2060282363	JGRKXIFHGHOROH-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@@H](OC[C@H]1CCCN1C)C(=O)NN	2209910317	YLTJNEQXQXWZDF-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@H](O)C[C@H]2C1)C(=O)NN	2210213662	OZOZTPPKNNVIRL-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211827387	GOKYZPQALJBWSP-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
CC(C)[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2212613604	XFFYCLDFNHUTFX-SECBINFHSA-N	222.097	-0.113	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@H](O)C[C@H]3C2)CCC1	2216496379	BBSKMJNYIDLHAG-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
CCN1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217173530	RWGZALZCIYRGQR-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
CC(C)[C@@](C)(CN)Nc1cc(B(O)O)ccn1	2217175835	NXHGCKCLYZGLGS-LLVKDONJSA-N	237.112	-0.453	50	10	BBGE	
C[C@@H]1C[C@@H](COc2ncccc2B(O)O)CN1	2217181653	SOVJOKMQHQNXBJ-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cccnc1NCCc1ncc[nH]1	2217184678	QUOLQHAEXFMHOW-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
CC[C@@H](C)NCCOc1ncccc1B(O)O	2217186219	HMIXKIAAPNTKBR-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
CC1(C)OCC[C@@H]1Nc1ncc(B(O)O)cn1	2217202586	XRHBVEZQMWDLFG-QMMMGPOBSA-N	237.068	-0.864	50	10	BBGE	
CC[C@@H](O)CCCNc1ncccc1B(O)O	2217203035	ORJJPSWWOGFONF-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
Cc1ncoc1CNc1cc(B(O)O)ccn1	2217204848	PRBYDERWYULADY-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1cccc(CN2CCCC[C@@H](O)C2)c1	2220066113	RQAUINPHZQSEIL-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1ncc(B(O)O)cn1	2220140577	GQOIVMVKIVHAOE-UHFFFAOYSA-N	247.063	-0.856	50	10	BBGE	
NCC[C@H]1CCCCN1c1cc(B(O)O)ccn1	2223647053	SKLPPCNAJZNFOJ-LLVKDONJSA-N	249.123	-0.531	50	10	BBGE	
COC[C@H]1C=CCCN1c1ncccc1B(O)O	2223679525	QNAJRURNENJSGZ-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
O=C(NCC1(O)CCCC1)C1(B(O)O)CC1	2243364188	SMTASFJNYZKHPA-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243381856	JSHCDFPLGPAZKM-RBXMUDONSA-N	229.085	-0.628	50	10	BBGE	
CN(CCC#N)C(=O)c1sccc1B(O)O	2243401489	RYWJRSVBGUIQJF-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1CC[C@H]1C)B(O)O	2243411897	CEGWIXGHUZXJFT-VXNVDRBHSA-N	247.125	-0.480	50	10	BBGE	
C[C@@H](CCl)C(=O)NCc1noc(C(N)=O)n1	2244122420	XIUAZBCTXANGCL-BYPYZUCNSA-N	246.654	-0.340	50	10	BBGE	
CCCc1ocnc1CNC(=O)C#CB(O)O	2247740243	ICKLIJHSPBODBT-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
O=C(Nc1ccccc1)c1cc(B(O)O)c[nH]1	2247744184	OTEFBBWNKHARRD-UHFFFAOYSA-N	230.032	-0.053	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	2247747212	KLHRSFNOOVAXEZ-GJMOJQLCSA-N	243.018	-0.448	50	10	BBGE	
CC[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747642	QMTJDZLYJDQSMO-HTQZYQBOSA-N	238.096	-0.141	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC=CC[C@H]1CO	2247788155	ZZPSACSSDQKNFO-AEJSXWLSSA-N	239.080	-0.611	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247800711	RTZTWNUJBKLTMV-KYZUINATSA-N	237.068	-0.379	50	10	BBGE	
CC12CC(NC(=O)C3CC(B(O)O)C3)(CO1)C2	2247805979	LRQSCXCDVJIETN-UHFFFAOYSA-N	239.080	-0.323	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247848662	OTCAONQXSZBDMM-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CN(CCF)C(=O)c1ccc(F)c(B(O)O)c1	2247868726	XOGMKOWCKLGHQZ-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)cn1C	2247875091	SSDHCVVHGHSYRP-UHFFFAOYSA-N	236.080	-0.601	50	10	BBGE	
CO[C@H](C1CC1)[C@H](C)NC(=O)C1(B(O)O)CC1	2247879441	VJEQIRYKSWUMHC-CBAPKCEASA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)[C@H]1C[C@@H]1B(O)O	2247888239	XLJJBYQHUFJJNT-KJFVXYAMSA-N	239.080	-0.874	50	10	BBGE	
Cc1cnc(C(=O)N(C)C2CC2)c(B(O)O)c1	2247891439	IVRGWCDKCGJCQN-UHFFFAOYSA-N	234.064	-0.696	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccco1	2247899748	PUVYTQNNVHUDEO-GJMOJQLCSA-N	238.052	-0.742	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](C)O	2248398641	VLDKCQZADWWALY-MRVPVSSYSA-N	237.064	-0.697	50	10	BBGE	
O=C(C=Cc1ccccc1)NCC#CB(O)O	2248402621	ZBJKZMAGPFHURJ-UHFFFAOYSA-N	229.044	-0.169	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1cocc1B(O)O	2249422398	DDQCCZFVJFUFPN-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2253271959	ZAFUZLBHPDNQIB-RQJHMYQMSA-N	242.084	-0.990	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1ccc(B(O)O)o1	2255467687	QNVCJHDQQLPVHX-PRHODGIISA-N	249.075	-0.026	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255469929	WLTQZHGVJQVVIL-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1cc(B(O)O)c[nH]1	2255473556	MUFRYNCKWGGDMA-QMMMGPOBSA-N	248.091	-0.433	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1c(F)cccc1B(O)O	2255512134	VKQHGQYAPDJJAW-RNFRBKRXSA-N	249.050	-0.356	50	10	BBGE	
O=C(N[C@H]1CCCC12CC2)c1n[nH]cc1B(O)O	2255551502	YKLGZGXCORHROV-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255674281	XAGJNCNHSMCKJC-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)c(C)c1	2255736763	SPRDPIIDEXASMV-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1n[nH]cc1B(O)O	2255761754	LCLIRBGWLHMHCY-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
Cc1ncncc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2255768695	OMXLMLFVSBZQSH-VHSXEESVSA-N	249.079	-0.394	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1nccnc1B(O)O	2256053147	BGBHAJOJJWVTDJ-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1cocc1B(O)O	2258130882	NITMHDAORHRIRX-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1cc(B(O)O)co1	2258154982	NJSKGVGORFKCRN-PELKAZGASA-N	249.075	-0.121	50	10	BBGE	
C#CCN(OC)C(=O)c1c(C)cccc1B(O)O	2258261179	BUSQDSYMFVYTBZ-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
CCN(C[C@H]1CCCN1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369146	KTOBHEQRNAIPQH-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
N#CC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(F)(F)F	2298370681	GPVVWWWQFURYFD-HSUXUTPPSA-N	249.985	-0.190	50	10	BBGE	
C[C@@H](CCCCCO)NC(=O)[C@@H]1C[C@H]1B(O)O	2298371088	ZOQJXUVLVHRPPI-IVZWLZJFSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@H](C)[C@@H]1N	2298375735	YAWOUQWUMGWVKK-FHNUBNKASA-N	240.112	-0.567	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1cc(B(O)O)ccn1	2300055363	NAXDXCYGIXQSRA-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
C[C@H]1COCCN1CCOC[C@@H](C)C(=O)NN	2301603845	XMBNRRXZCKBETM-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	2302021333	YNCUVGSQMMWJRP-KXUCPTDWSA-N	247.314	-0.060	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]2C2CC2)ncc1F	2303835310	UYVZZJWWIJGXIS-SNVBAGLBSA-N	236.055	-0.111	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(B(O)O)cc1C#N	2317165586	MDUILGXFBIFHRI-LBPRGKRZSA-N	240.071	-0.160	50	10	BBGE	
O=Cc1ccc(N[C@H]2C=CCNC2)cc1B(O)O	2317313530	YLDWRNBTVATHKP-NSHDSACASA-N	246.075	-0.881	50	10	BBGE	
O=C(C#CB(O)O)NCc1cnc2c(c1)CCC2	2319504202	JNORXQQRDRKNEG-UHFFFAOYSA-N	244.059	-0.798	50	10	BBGE	
N#CC(=CNc1nc[nH]n1)C(=O)N1CCOCC1	2324943049	QNMXUNVXRMYDER-UHFFFAOYSA-N	248.246	-0.517	50	10	BBGE	
O=C1OC(=O)c2c1cc(O)c(=O)c(O)c2O	79971644	JAJRKOVXTSKCLS-UHFFFAOYSA-N	224.124	-0.526	50	10	BBGE	
C[C@H](O)CN(C)Cc1ccc(C(=O)NN)o1	82468161	FGNPYMZBYCQDHH-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2ccnc2C1	93071956	LANBZOCAPZDJJZ-RKDXNWHRSA-N	237.307	-0.287	50	10	BBGE	
NNC(=O)c1coc(CN2CCOCC2=O)c1	93226311	ZKUSIYDYWORXMH-UHFFFAOYSA-N	239.231	-0.758	50	10	BBGE	
N#Cc1ncn(Cc2ccsc2C(=O)NN)n1	110956669	UKLDDGFAAFLFJT-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N1CC(=O)OC(=O)C1	111217895	IWOKUHFVYFIIEA-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
O=C1CN([C@H]2CCN3CCC[C@H]23)CC(=O)O1	111218165	AUJSBKCWZKGZME-BDAKNGLRSA-N	224.260	-0.392	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(=O)Nc2ccccc21	113176114	BMOZGBRBGIJASP-ZETCQYMHSA-N	234.259	-0.177	50	10	BBGE	
Cn1ccn(C[C@@H](Cl)C(=O)O)c1=O	132873658	GQSQBQFNHUXUCN-RXMQYKEDSA-N	204.613	-0.121	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N[C@@H]1CCOC1	179165014	RUQAMTJSOFTKNQ-SCSAIBSYSA-N	241.169	-0.332	50	10	BBGE	
COCCN(C)Cc1ccccc1B(O)O	203176170	SKSRGVJOPUVTGX-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
C[C@@H](NC(=O)N1CCCCC1)C(=O)NN	207333910	XZWIQEBQZPOWJB-SSDOTTSWSA-N	214.269	-0.440	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251190	HRQCVCUSVGPRSX-HRDYMLBCSA-N	214.313	-0.753	50	10	BBGE	
O=S(=O)(CCCl)NN1CCOCC1	232300916	NPUQPCJSQDQJLD-UHFFFAOYSA-N	228.701	-0.608	50	10	BBGE	
CC(C)(C)OC(=O)[C@H](N)CCC(=O)NN	238098620	YVWQBHPJASRZLG-ZCFIWIBFSA-N	217.269	-0.575	50	10	BBGE	
OCc1c(CBr)cccc1B(O)O	238703567	SEWPLBPFZPVLLP-UHFFFAOYSA-N	244.881	-0.246	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H](C)C(=O)NN	253020191	JQFJOAZTVBODJU-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
COc1cc(F)cc(NC(=O)C(=O)NN)c1	300918982	XBRWSBVRSNHXRF-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
C[C@@H]1CN(C[C@@H](Cl)C(=O)O)S(=O)(=O)C1	306479993	IOOXFHGPJSLSLX-PHDIDXHHSA-N	241.696	-0.040	50	10	BBGE	
O=S1(=O)CCN1C[C@@H](O)CBr	306650661	FLPGKOBKIWJRFL-YFKPBYRVSA-N	244.110	-0.612	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](CO)CC1	307199809	BOVNGKGOUOMSPX-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H](Br)[C@@H](Cl)N1	307748056	APOPCFIZOPSVSB-DFFKJGSWSA-N	228.477	-0.724	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1[C@H](C)C(=O)NN	309811310	WNRKQWOKTZFDRN-DJLDLDEBSA-N	214.313	-0.611	50	10	BBGE	
COCCOCC(=O)N[C@H]1COC[C@@H]1Cl	323416626	XGEFOOUCPLHHRY-YUMQZZPRSA-N	237.683	-0.228	50	10	BBGE	
Cc1cn2cc(CC(=O)NN)nc2c(C)n1	382692846	ULJCFMZNXDJRLJ-UHFFFAOYSA-N	219.248	-0.121	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1ccoc1C(=O)NN	385027708	ZRLTZWIGGJLBKX-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(B(O)O)ccc1O	396017691	AKIKMMPLPNIDRM-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
C[C@H]1C[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584985377	KXMFONSAZIRZHL-DTORHVGOSA-N	233.076	-0.011	50	10	BBGE	
CCn1ccnc1CN1CC[C@@H](B(O)O)C1	585075164	FHROZKQBZDDKAX-SECBINFHSA-N	223.085	-0.048	50	10	BBGE	
C[C@@H]1NCC[C@H]1C(=O)N1CCC(O)(C#N)CC1	692122720	DSAWFEODNRCEDG-VHSXEESVSA-N	237.303	-0.139	50	10	BBGE	
CCN(CCC(=O)NN)[C@H]1CCN(C)C1	693439478	UHROMMBRTYQYBB-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1c1nnc(CCCl)o1	698137428	QHCMSMMHUHWFAH-BQBZGAKWSA-N	247.682	-0.217	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1C[C@H](O)CCl	698229599	SDPQWDVTPMSXCA-BIIVOSGPSA-N	209.673	-0.986	50	10	BBGE	
CC(C)CCO[C@H]1CCN(C(=O)C(=O)NN)C1	701821550	QYSCWBJZIBATMG-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1CS(=O)(=O)C1	701893923	KTVWLZPTEPHXHQ-YFKPBYRVSA-N	225.697	-0.226	50	10	BBGE	
COC1(C(=O)NNC(N)=O)CCCC1	706053283	LQHTYISUCAXQTI-UHFFFAOYSA-N	201.226	-0.355	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2CCOC[C@@H]2Cl)n1	706687496	WBINEYIEOXZKGH-BQBZGAKWSA-N	244.682	-0.059	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708050818	MAJHTZSSIXCWOI-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)COC2=O)c1	709009484	AVTNZAJSGBQDDM-UHFFFAOYSA-N	239.187	-0.638	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cnc[nH]2)c1	709747213	MGXFPSGHBDYERS-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1CCc2c(B(O)O)cccc21	712263770	WSEBKDKYMANLDS-PSASIEDQSA-N	245.087	-0.089	50	10	BBGE	
CC(C)(CN1C[C@@H](F)[C@H](F)C1)C(=O)NN	714557905	JGEHWOSHBLHHTR-RNFRBKRXSA-N	221.251	-0.006	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)Cc1ccccc1B(O)O	724140395	OKCWXLJDURHKPA-OLZOCXBDSA-N	249.119	-0.024	50	10	BBGE	
O=C1C[C@H]2CCN(C(=O)CCl)C[C@H]2N1	725665724	YQCGVDPKHUZBEL-RNFRBKRXSA-N	216.668	-0.038	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)C(C)(C)C	772191362	QAXPATWHVHPBDT-UHFFFAOYSA-N	215.253	-0.684	50	10	BBGE	
CCOC(=O)CC(C)(C)C=NNC(=O)C(N)=O	807944639	IWKOFMJWSWYDJI-UHFFFAOYSA-N	243.263	-0.447	50	10	BBGE	
CNC(=O)NNC(=O)[C@]12C[C@@H]1COC2(C)C	823424539	DJJGMHURALBIAH-LDWIPMOCSA-N	227.264	-0.238	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CN1CC[C@@H](C)C1	1141855604	WFMRVBHSXGIEPY-ZJUUUORDSA-N	229.324	-0.328	50	10	BBGE	
COCCN(C)NC(=O)C1(C(N)=O)CCC1	1157606402	NYAZOLDYGKSHGY-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNC(=O)NCC1CC1	1464488528	ZJWZVDWBFMNIOV-LURJTMIESA-N	242.279	-0.762	50	10	BBGE	
N#CCCCNC(=O)NNC(=O)c1ncccn1	1469770313	YBEMOZGHDCRRKY-UHFFFAOYSA-N	248.246	-0.276	50	10	BBGE	
CCOC(=O)[C@H](CC)C(=O)NNC(C)=O	1540496140	HANORUFWKXHHRR-SSDOTTSWSA-N	216.237	-0.257	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2ncccc2o1	1611095035	YDPDBSHJRBNFIP-UHFFFAOYSA-N	235.199	-0.419	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cc(C(N)=O)c[nH]1	1629362808	TZXWHLQHQYXJTM-ZCFIWIBFSA-N	240.263	-0.929	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc(=O)n(C)n2)n1	1641538510	UAOYAEFZHFODHW-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
O=C(N[C@@H]1CNOC1)[C@@H]1C[C@H]1Br	1877391135	AJHGACSZVJDYTH-HSUXUTPPSA-N	235.081	-0.211	50	10	BBGE	
NC(=O)C1(OC[C@H]2C[C@H]2Cl)CNC1	1883551704	KLFPEHWONOJXTE-PHDIDXHHSA-N	204.657	-0.542	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@H]1[C@H](O)CO	1885365602	OMQXWZARESAFCM-NKWVEPMBSA-N	243.712	-0.670	50	10	BBGE	
CSC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1896177014	ZIRWLUDFRFQZHU-IONNQARKSA-N	245.348	-0.429	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)CCOCC(=O)NN	1898071542	IJBGFGVMEQFUDG-PSASIEDQSA-N	233.287	-0.327	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@H]1C[C@H]1C(=O)NN	1900508077	XUWVYZXEISGKRP-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C1(C)C	1900686909	RAWUCSONYQGNNQ-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1CCNC1	1901338838	CZTFZAXRLVQLKJ-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)C1(C)C	1901757809	WDTJSBJCRAECLO-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NC1CC1)N1CC[C@@H](B(O)O)C1	1902505834	MEKRINWRCWHDRP-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
C=CC(=O)Nc1ccc(C)c(B(O)O)c1F	1905181652	UZJVVOBLZNQOSK-UHFFFAOYSA-N	223.012	-0.062	50	10	BBGE	
CC(C)(CCN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	1907853364	DEAJDESPDCLLCL-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C(C)C	1908494143	OYSZCLXDFYIDDM-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@H]1C1CC1	1910813599	IORHIXFMARWQBX-IUCAKERBSA-N	234.064	-0.419	50	10	BBGE	
CS(C)(=O)=NCC(F)(F)C(=O)NN	1913522747	SCGCFEUTZJARQI-UHFFFAOYSA-N	215.225	-0.661	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CCOC2)C1	1915584499	YYRPNENYRLTODM-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154707	IASMRYGBNJNLFA-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CNC(=O)O1	1923441715	CLXAQJYBGZOLJR-YFKPBYRVSA-N	245.235	-0.349	50	10	BBGE	
C[C@@H]1CCC[C@H]1CS(=O)(=O)NCB(O)O	1930380026	CMLYLXNZGMQVAR-SFYZADRCSA-N	235.114	-0.646	50	10	BBGE	
CN(C)C[C@H](Cl)Cc1nnnn1C	1934424083	RMRYYPZLPGGSTO-ZCFIWIBFSA-N	203.677	-0.078	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C(CO)[C@@H]2C1	1937461812	WRMKVSUANHMJTG-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@@H]1COC[C@H]1Cl	1939166825	LVJXBRNOMOZMKM-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
COC1(CO)CN([C@@H](CC(C)C)C(=O)NN)C1	1951073466	OAZKTBCMDWOXRR-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@H](O)CCl	1954821032	QLOCODZQLHFTSG-SSDOTTSWSA-N	208.689	-0.218	50	10	BBGE	
OB(O)c1cncnc1OC1CC=CC1	1961696580	RFADMLMQZSFVSR-UHFFFAOYSA-N	206.010	-0.746	50	10	BBGE	
O=C([C@H]1CC=CCO1)N1CC[C@H](B(O)O)C1	1967586916	MHCFVLQNJNIFTO-DTWKUNHWSA-N	225.053	-0.593	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(C[C@H](O)CCl)C[C@H]21	1975037005	LWJUGJKEWTVMQW-DOLQZWNJSA-N	235.711	-0.475	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(OC(C)C)C1	1976056965	AMGRIMPNOUDMRO-VIFPVBQESA-N	231.296	-0.900	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C2(CCC2)C1)C(=O)NN	1978832714	VLAXDOWCRJWNEK-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1	1980828385	NCUIKLIHKQDVCC-IVZWLZJFSA-N	224.308	-0.014	50	10	BBGE	
CCSC1CN(c2ccc(B(O)O)cn2)C1	1981409512	NSXVBQGTHFUMEW-UHFFFAOYSA-N	238.121	-0.297	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@@H]2C[C@@H]2C)n1	1981531619	YJXRNDSSESXPBK-OIBJUYFYSA-N	220.081	-0.086	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1	1982246503	VWZQMDVRDMGIIU-YIZRAAEISA-N	242.710	-0.639	50	10	BBGE	
C[C@@H]1COCCN1CCC(F)(F)C(=O)NN	1984129257	AWKGQJLVFKCCNO-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)O[C@H](C)C1	1990774547	KLMXHWDRDXDCEH-OCAPTIKFSA-N	229.280	-0.737	50	10	BBGE	
O=C(COC1CC1)N[C@@H]1CCC=C1B(O)O	1991333222	CADXSGRNZSOGJT-SECBINFHSA-N	225.053	-0.618	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@H]1CCNC1=O	1991715724	YNYDASSRPZELJX-HIXXPVPXSA-N	244.678	-0.050	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2NC(=O)O[C@H]2C1	1991717383	XAEMHEKGUXDTKE-ZELZYMQXSA-N	244.634	-0.373	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)CCOCC(=O)NN	1992948390	VHTGUEVFJJVPAC-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)N[C@@H]2CC[C@H]21	2002915627	SKYSQLFFGSIZBY-IWSPIJDZSA-N	240.307	-0.892	50	10	BBGE	
CC(C)OC1CN(c2ccncc2B(O)O)C1	2004911454	HJBNOCCAUQKDIJ-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CCCOC2)n1	2004933470	IAQJXGNJQXTHDF-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Oc1ccc(B(O)O)cn1	2004950265	CXXWGBNTDUATCP-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(=O)NCC1(C)C	2006926128	SRSIQRLHYAUYAG-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(N(C)C)CC1	2019215130	TYYSWHREIARQIT-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCC[C@H]1OCC2	2020061521	IAVYWTUOSKSFHO-MWLCHTKSSA-N	239.080	-0.370	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1C[C@H]2C[C@H]2C1	2028427905	YOZVUZIYZBIXNV-OCAPTIKFSA-N	247.063	-0.755	50	10	BBGE	
NNC(=O)C1(CN2CCc3nnccc3C2)CC1	2043018764	ANCWDRXFVPEFTA-UHFFFAOYSA-N	247.302	-0.395	50	10	BBGE	
N#Cc1c([N+](=O)[O-])ccc(B(O)O)c1F	2060174301	DVZFEFMDLKACHY-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1cocc1CN(C)c1ncc(B(O)O)cn1	2066409711	AHJJCNBOWOBZAZ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1	2079008085	DPYSUIZFYCZCEH-QWRGUYRKSA-N	249.075	-0.726	50	10	BBGE	
O=C(NCc1ccco1)c1ccccc1B(O)O	2079010003	WMXDJDXWOPEINL-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)c1nc(C)ncc1B(O)O	2079407585	WIOJICBGTBYUKX-UWVGGRQHSA-N	249.123	-0.053	50	10	BBGE	
CCc1nccn1-c1cc(B(O)O)ccn1	2212594622	JLKIUSBXFDYMGT-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
CCC[C@H](CN)Nc1ccc(B(O)O)cn1	2212601042	HUHUMXDVFBHWDC-SECBINFHSA-N	223.085	-0.699	50	10	BBGE	
COC(=O)CCSc1ncccc1B(O)O	2212601523	PCSSWCFFEHDPTE-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
NCCCCCOc1ncccc1B(O)O	2212603661	IFONFNROSATNCX-UHFFFAOYSA-N	224.069	-0.731	50	10	BBGE	
OB(O)c1cnc(NCC2(Cl)CCC2)nc1	2212605212	ZQZZEJYWKXPXES-UHFFFAOYSA-N	241.487	-0.270	50	10	BBGE	
C[C@H]1C[C@H](Oc2cc(B(O)O)ccn2)CO1	2212612741	OBCBUZQFBYQCSJ-CBAPKCEASA-N	223.037	-0.682	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCSC1	2212615208	LJIFJHGTAGATHQ-QMMMGPOBSA-N	238.121	-0.074	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2CCCCC(=O)NN	2213354154	IZMXBXPDYXFNCE-UMNHJUIQSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2215772191	MIRGZDUKMJCLCP-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H]1C[C@@H]2O	2215777410	SLSVSPUBZHJCET-HWUMTFDVSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]2CC1=O	2215778290	YIUQBBJSSJJZCF-XFWSIPNHSA-N	237.303	-0.129	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN([C@H](C)CC(=O)NN)C1	2216290928	IOHGUPLEQUMLTN-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CC1(C(=O)NN)CCC1	2216528897	VTJQBKVKNPCIPB-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
Cc1ncc(CNc2cc(B(O)O)ccn2)o1	2217179199	HVORZRQFTVEEIB-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CN[C@@H](C)C(C)(C)Oc1cc(B(O)O)ccn1	2217194212	SGMJSOIJKFDODY-QMMMGPOBSA-N	238.096	-0.473	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2COC[C@@H]21	2217202047	UKDXUUSIYNQQPB-OYNCUSHFSA-N	234.064	-0.792	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217336199	CDWGTWRCHKTLSX-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)[C@H]1CO	2220060719	YZYRGDQBYABNSR-GWCFXTLKSA-N	249.119	-0.431	50	10	BBGE	
N[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C12CCC2	2223638202	VHJSJPBGRXTRKF-UWVGGRQHSA-N	247.107	-0.557	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3OCC[C@@H]3C2)c1	2223671722	AMMIMWZPOAMNHR-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
CC1(C)NCCC[C@H]1Nc1ncccc1B(O)O	2223679683	SQMCGENUTGVABG-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(O)CSC1	2241488336	UITQQFGPLLGCHL-OWOJBTEDSA-N	235.692	-0.098	50	10	BBGE	
OB(O)c1cccnc1N1O[C@H]2CC[C@H]1C2	2243000959	XKMQNFYNOWBACO-YUMQZZPRSA-N	220.037	-0.566	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@H]2C[C@H]21	2243348210	VGDLHUAOACBCPY-IMTBSYHQSA-N	237.089	-0.338	50	10	BBGE	
O=C(C#CB(O)O)N1CC(CC(F)(F)F)C1	2243349613	NVKQQINGBIRVAO-UHFFFAOYSA-N	234.970	-0.587	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@]12CC2(F)F	2243362872	XRIBVPLMPNOFHS-XPUUQOCRSA-N	228.991	-0.837	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1occc1B(O)O	2243365272	KKXATCOGMQNQDR-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ncon1	2243366178	YGKJKBHZDOJOPV-YFKPBYRVSA-N	225.013	-0.746	50	10	BBGE	
O=C(NCCCCF)c1cc(B(O)O)sn1	2243377552	BKGYCPODTBRFIF-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243396203	IZOWCUMYWGBBKJ-JBDRJPRFSA-N	226.085	-0.813	50	10	BBGE	
COCCC(C)(C)NC(=O)C1(B(O)O)CC1	2243411405	SNNBHEDEPIUSHW-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@@H](C)C1)B(O)O	2243412471	NMOVFNLVFDFREU-MRVPVSSYSA-N	247.125	-0.384	50	10	BBGE	
C[C@H](C[S@@](C)=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427494	WKLVCUYXVSLGQY-OSBXHZLRSA-N	247.125	-0.877	50	10	BBGE	
C[C@H](CC(=O)NCCC#CB(O)O)C(F)F	2244546728	POLFPNKQOVYIKR-SSDOTTSWSA-N	233.023	-0.201	50	10	BBGE	
OB(O)c1cc(-n2cc(F)cn2)ncc1Cl	2245908748	WNUXWYOLVHQNQL-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)C#CB(O)O)CC1	2247744776	YBBLLWGBOONEAE-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
CC(C)O[C@@H]1C=CCN(C(=O)C#CB(O)O)C1	2247747130	JIQYSLPEZTYPHU-SNVBAGLBSA-N	237.064	-0.806	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@@H]21)C1(B(O)O)CC1	2247750268	GVYJEOPKZQEOTD-LURQLKTLSA-N	239.080	-0.874	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1F)C1(B(O)O)CCC1	2247753213	CVMPDFKBYHVJRG-YUMQZZPRSA-N	244.075	-0.800	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1CN	2247753919	KIDFRQXXZAAIJG-IUCAKERBSA-N	240.112	-0.563	50	10	BBGE	
O=C(NC1([C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]1B(O)O	2247793692	ZJQVHXMQBISVSO-VGMNWLOBSA-N	239.080	-0.323	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247796510	AFPVXZXUFSVISF-JLIMGVALSA-N	240.112	-0.375	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)C1CC(B(O)O)C1	2247797673	LZFREVDTFKLASU-RTBKNWGFSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)NCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247809719	QUUVYOUMEOACQC-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
COC1CC2(C1)CN(C(=O)C1(B(O)O)CC1)C2	2247872167	NWCBLNSVZFTHQC-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CCC2)CCOC1	2247873887	GTTCNAGUMHIAFK-JTQLQIEISA-N	241.096	-0.074	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2247888074	VPPLGMQXDRLQKH-GRDBIXFFSA-N	239.080	-0.372	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247893166	NHSADCVZWDNYKL-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)[C@H]1C[C@@H](B(O)O)C1	2247893885	ZWZVALKBYNKBFH-AEJSXWLSSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896008	WRMZVCGJPPCBFW-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900794	ZSANOUNXQXXXMA-XKNYDFJKSA-N	243.112	-0.095	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNC(=O)C1CC(B(O)O)C1	2247911748	YBYMLPLBSQGTCY-SEZDTBSWSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1CCOCC(=O)NN	2248483453	MBXLWQFCZSIIDD-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=C[C@H]1CF	2249420274	RNVQWOSQSYIPSZ-QMMMGPOBSA-N	239.011	-0.691	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2251067591	HKTSVSPYTGXENR-DTORHVGOSA-N	242.128	-0.304	50	10	BBGE	
COc1ccc(B(O)O)c(-n2cnc(C)c2C)n1	2254598426	MSKFNFZZAKRLKU-UHFFFAOYSA-N	247.063	-0.427	50	10	BBGE	
Cc1cc(NC(=O)c2ccncc2B(O)O)n[nH]1	2255445869	ZCNWTZVBKMEMSV-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC(C)=CCCNC(=O)c1ccncc1B(O)O	2255456354	MZLJUTKYSUJFSY-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1ccoc1B(O)O	2255464297	UOWZNKGWKMLHNW-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)NC1C2CC3CC(C2)CC1C3	2255468529	BZTLNARFHOMVKI-UHFFFAOYSA-N	247.103	-0.057	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2CCC[C@H]21	2255515973	FHNMYFMFKDYSGE-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@H]2CCC[C@H]21	2255579453	ROSYFFCNDRQPAH-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
Cc1cnc(C(=O)NCCC2CC2)c(B(O)O)c1	2255790031	QYUZGBPUWXTUHP-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257486751	JCGVSFVRHRWNJW-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
CC[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369958	JYGOGPAPLMLLML-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)[C@@H]1N	2298371862	YAWOUQWUMGWVKK-VVULQXIFSA-N	240.112	-0.567	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CO	2298375461	KTLQIVFNIINUQW-JLIMGVALSA-N	241.096	-0.674	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCCO[C@@H]12)[C@H]1C[C@H]1B(O)O	2298377345	NPFSNRPJQRIVMB-JDDHQFAOSA-N	239.080	-0.610	50	10	BBGE	
O=C(O)[C@H]1C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463500	HHWVXRHTFMQMEM-BWZBUEFSSA-N	239.036	-0.909	50	10	BBGE	
COC[C@@H](OC[C@H]1N(C)CC1(C)C)C(=O)NN	2299035307	MFTBZXYTEXMSRM-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
CC12CC(C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)CO2	2300512674	GPXLBEJCZOVWOS-VYGPFJBRSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](CO[C@H](C)CC(=O)NN)N1CCOCC1	2300921759	SILRDRWEPLTVKT-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1OC2(C(=O)N3CC[C@H](B(O)O)C3)CC1C2	2303104059	IMVWPVDAIXPCKP-MKOUOCNOSA-N	239.080	-0.371	50	10	BBGE	
C#CC[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303847098	CMNCOZKNDZETHL-MRVPVSSYSA-N	236.055	-0.606	50	10	BBGE	
C[C@H](CCCN)Oc1cc(B(O)O)c(F)cn1	2303856480	WRLZCGIUFCEKCV-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2CCc3nccn32)C1	2306971426	XUSBSHJLWGJGMS-UWVGGRQHSA-N	235.096	-0.081	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC[C@@H]3C[C@H]23)oc1B(O)O	2312860400	RKUMLQNUGZKQDJ-VGMNWLOBSA-N	249.075	-0.204	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CCOCC1	2317151630	SPAMVIFGZKKJGW-UHFFFAOYSA-N	246.075	-0.171	50	10	BBGE	
N[C@H]1CC[C@H]1COc1ccc(C=O)c(B(O)O)c1	2317310540	BQOBFEPJMPDXTA-CABZTGNLSA-N	249.075	-0.705	50	10	BBGE	
O=Cc1ccc(NC2CCOCC2)cc1B(O)O	2317351799	OGLYNQDSFUDPTQ-UHFFFAOYSA-N	249.075	-0.230	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1CC(=O)NN	41604772	IWRYAFBYXPSIQJ-UHFFFAOYSA-N	206.205	-0.982	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)CCCC(=O)NN	58846392	JYUGHUJYAVCKMJ-UHFFFAOYSA-N	245.323	-0.234	50	10	BBGE	
NNC(=O)CN1C(=O)Cc2ccccc2C1=O	70153768	HGIWPQGNQWWWHR-UHFFFAOYSA-N	233.227	-0.799	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	70797357	GOZWSSXOAGRPBI-FSDSQADBSA-N	234.683	-0.692	50	10	BBGE	
NNC(=O)CN1CCN(CC(F)(F)F)CC1	82469266	LHXYIOVIRWIJHA-UHFFFAOYSA-N	240.229	-0.844	50	10	BBGE	
O=C(CCCCCl)NC[C@@H](O)CO	85248815	NKPJSOCJBHHTQL-SSDOTTSWSA-N	209.673	-0.135	50	10	BBGE	
C[C@H](N)CSC[C@@H]1CC[C@H](C(=O)NN)O1	85311437	AFINQZMQMVWKJE-BIIVOSGPSA-N	233.337	-0.396	50	10	BBGE	
C[C@@H](CC#N)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	104108749	WMBJVTCHNUPDHG-LPEHRKFASA-N	240.307	-0.242	50	10	BBGE	
COC(=O)C1=C(O)C2(CC2)C(=O)OC1=O	106110579	RSBXEIMXQQBHQS-UHFFFAOYSA-N	212.157	-0.165	50	10	BBGE	
CC(=O)NCC(=O)NNC(=O)CCC(C)C	171326187	LXWDHGLZXLSIRC-UHFFFAOYSA-N	229.280	-0.294	50	10	BBGE	
CC(=O)N1CC(=O)N(C)[C@@H](Br)C1=O	196309292	LLGKOMZKYVBUNN-ZCFIWIBFSA-N	249.064	-0.446	50	10	BBGE	
OB(O)c1cnn(-c2ccnc(Cl)c2)c1	203615149	QOVITHRSNRLJOY-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NCCCl	216547080	HBAXCTXLUXJEBQ-FPLPWBNLSA-N	231.683	-0.015	50	10	BBGE	
COC(=O)CS(=O)(=O)N[C@H](C)CCl	232023749	CVCWPRPPOXDEJK-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
C[C@]1(O)CC[C@@H](O)C/C1=N\NC(N)=O	238490157	FWJCJMHZRVAVKZ-OGSKZYBLSA-N	201.226	-0.694	50	10	BBGE	
OB(O)c1cc(F)cnc1C(F)(F)F	238618342	HECAPEAULSMWMN-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC(F)(F)C1	306927806	VUWSRUHLHCDBDZ-SCSAIBSYSA-N	207.180	-0.720	50	10	BBGE	
C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)CCl	307168091	UELBDKGJZZQJLH-RITPCOANSA-N	240.712	-0.231	50	10	BBGE	
C[C@H]1C[C@H](O)CN1[C@H](C)CC(=O)NN	307265244	FXKQFHACIDCBFK-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)COC	381266436	UHAFDMRQQGPDEP-YUMQZZPRSA-N	231.296	-0.443	50	10	BBGE	
CC(=O)Nc1ncc(B(O)O)cc1OC(F)F	382571936	OYWWSJLIAILDDD-UHFFFAOYSA-N	245.978	-0.679	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCOC(C)C	382853186	KIDLQKMSFRLRHF-SNVBAGLBSA-N	247.339	-0.262	50	10	BBGE	
CC(=O)NNC(=O)CN(C1CC1)[C@@H](C)C(=O)O	382970858	REWFXLGCRLTFIJ-LURJTMIESA-N	243.263	-0.909	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1cc(C(=O)NN)co1	385008448	NQYAMCDNDAPXJM-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C[C@@H](C)C(=O)NN	385765133	YCRMDCRZSWTZIW-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
O=CNc1cc(C(F)(F)F)ccc1B(O)O	390217362	XUBBAWBACHDPJS-UHFFFAOYSA-N	232.954	-0.047	50	10	BBGE	
Nc1csc2cc(B(O)O)cc(C(=O)O)c12	396245226	QWFKJCWIWGQECW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1csc2cc(B(O)O)cc(CO)c12	396342636	VIHHGAHPAAXTSE-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
Cc1cc(C)c(CNC(=O)C(=O)NN)cn1	397039562	UXAKCKHWNSSGRY-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
Cc1cc(NC(=O)c2cnn[nH]2)cc(B(O)O)c1	404913758	MDRTUHLJUIHGBS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CON[N+](=O)CC(=O)CBr	687750443	KMWUDZWOFHMXDC-UHFFFAOYSA-N	212.023	-0.205	50	10	BBGE	
CO[C@@H](CN)CC(=O)N1CCC(O)(C#N)CC1	692131725	IKFQYBHTBZETHL-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]nc2N)CC1	692147531	CPFQWVQSSRFCMF-UHFFFAOYSA-N	235.247	-0.517	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(O)(C2CC2)C1	695078614	BCULEIDEGBGZHK-SNVBAGLBSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]3C[C@@H]3C2)O1	699268567	JDIRPVWEHNFDFT-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
CN1CC[C@@](O)(CNC(=O)CCl)C1	702652043	JZACGBBSJLCPJQ-MRVPVSSYSA-N	206.673	-0.592	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](C)[C@H](O)CO	705159986	LMIPGLAIRIYHLK-FSDSQADBSA-N	209.673	-0.281	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ncnn1C	707412493	XJWLJXVOIYYEJY-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)C[C@@H](C)C1	707566451	DXQQFGSLBHLDQZ-VWYCJHECSA-N	242.367	-0.116	50	10	BBGE	
CCCOC(=O)NCc1ncc(B(O)O)s1	714588405	HEYTYXFWRKUMLH-UHFFFAOYSA-N	244.081	-0.541	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@H]1CCCS1	743748921	RLGLGPHUGCBDQB-SSDOTTSWSA-N	247.320	-0.141	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)[C@H]1CCOC1	745208358	OICOKVFXQHDACH-UWVGGRQHSA-N	242.275	-0.070	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)NC1CC1	746166189	YCPWAWKSPHDTSC-UHFFFAOYSA-N	223.236	-0.624	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccoc2)nn1	808386585	BIFZRLKTRHZSMF-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncccn1	1136160283	AAVXNKZISIISAW-RITPCOANSA-N	221.220	-0.959	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N2CC(C)(O)C2)cn1	1156612072	KXYKXWJYKAXZHQ-XCVCLJGOSA-N	246.270	-0.080	50	10	BBGE	
NC(=O)C1(NS(=O)(=O)CCCl)CC1	1253536629	CCAJURVXDBNRQH-UHFFFAOYSA-N	226.685	-0.838	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCOCCCO	1258097633	GXXRFZJLAMYYQN-MDZDMXLPSA-N	242.275	-0.054	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12CC(C1)C2	1261843987	YDUFBKZALLPSKW-ZCUBBSJVSA-N	209.054	-0.138	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)c1ncon1	1289418104	OHFVDZCWPOEWJB-YFKPBYRVSA-N	228.208	-0.744	50	10	BBGE	
COc1c[nH]c(C(=O)NN(C)C(N)=O)cc1=O	1295200429	GKDQWRQAMMQIRP-UHFFFAOYSA-N	240.219	-0.961	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1Cc2cccnc2C1	1345490247	AXSOEHFSODSIGA-VIFPVBQESA-N	219.244	-0.036	50	10	BBGE	
Cn1nnc(C(=O)NNc2ncccc2F)n1	1636252976	KJJQUESLCJPFJS-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@@H]1C[C@H]1Br	1877360687	ZTEWJRMRDOGPAQ-PHDIDXHHSA-N	246.060	-0.026	50	10	BBGE	
O=C(O)[C@@H](O)CNC[C@@H]1C[C@H]1Br	1877411726	NTKZJYUIGMEIKV-JKUQZMGJSA-N	238.081	-0.195	50	10	BBGE	
O=C(N[C@H]1CNOC1)[C@H]1C[C@H]1Br	1877422099	AJHGACSZVJDYTH-HCWXCVPCSA-N	235.081	-0.211	50	10	BBGE	
N[C@H](CNC1CC(Br)C1)C(=O)O	1880963997	CLVUUIPOTNSSND-JMMWHDCWSA-N	237.097	-0.086	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)[C@H]1C[C@@H]1Br	1883533014	NJYQQHDYFAFITE-WHFBIAKZSA-N	245.080	-0.041	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@@H]2Br)CCN1	1883533393	RJFGNGBSQPQGIV-WDSKDSINSA-N	247.092	-0.272	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CC[C@@H]1O	1883646865	FHQBSXQIBKKVFU-WFYOFFIASA-N	203.625	-0.053	50	10	BBGE	
O=C1N[C@@H]2CN(C[C@@H](O)CCl)C[C@H]2O1	1884552137	YPPOHLCIBZNJPV-RRKCRQDMSA-N	220.656	-0.621	50	10	BBGE	
NNC(=O)CCSCC1CC(N)C1	1888108476	NDXADUGSPSVGBB-UHFFFAOYSA-N	203.311	-0.163	50	10	BBGE	
N[C@@H](CS(=O)(=O)C[C@@H]1C[C@H]1Cl)C(=O)O	1893120772	YKHXZPVOBYEBHX-JKUQZMGJSA-N	241.696	-0.560	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)C=CC(=O)Cl	1893410625	LYIMDDJRYYTGCV-YFKPBYRVSA-N	218.640	-0.312	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1CC[C@H](C(=O)NN)O1	1896176281	QOSCUXYTLULAMK-XHNCKOQMSA-N	232.280	-0.425	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@@H](C)C(=O)NN	1896280536	WIZSCVRKFCIWGH-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
C=C(Cl)CONC(=O)c1ccc(B(O)O)o1	1899454629	SLDNWVGLIKTBCO-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(CCC#N)C1	1900620963	DJWLCLAXGNXJTJ-VIFPVBQESA-N	226.280	-0.773	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1901767093	ZLHIWRPZODMHSQ-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@@H]21)N1CC[C@@H](B(O)O)C1	1902517560	JJMSXBKUJMGOCY-XAVMHZPKSA-N	225.053	-0.903	50	10	BBGE	
Cc1cn(Cc2nc(B(O)O)cs2)c(C)n1	1902657616	ZSUWJSXQBYTVCJ-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CCc1ccn(C[C@@H]2CC[C@H](C(=O)NN)O2)n1	1908716093	WMJBQVWNFYSCSM-VHSXEESVSA-N	238.291	-0.017	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CC(C)(C)C(=O)NN	1914259041	ZGHXXEPALPZTBI-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(C1)CC2(F)F	1914522341	TWOJRCCMCXACDN-YFKPBYRVSA-N	205.208	-0.294	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CC1(C)C	1915707079	PYSXEECHHSFYDD-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CCO)N(C)CC(F)(F)C(=O)NN	1916509977	BDIRLZUBJYTQBB-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC(F)C2)c1	1917263207	YBKCELQGSXTJNS-UHFFFAOYSA-N	239.055	-0.471	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@H]21	1924378036	YXVHHNUBVKGKKP-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H]2C1=O	1927814456	ZBQQHZPXJREWDG-UHNVWZDZSA-N	219.191	-0.910	50	10	BBGE	
CN(CCOCC(=O)NN)CC1CCC1	1928179395	PKHYGSWPNQEALX-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
COC[C@H](O[C@@]1(C)CCOC1)C(=O)NN	1928533649	HFLUEARGERYNFY-CBAPKCEASA-N	218.253	-0.813	50	10	BBGE	
CN(C)C[C@H](O)CN1C[C@](C)(CCl)C1=O	1931734760	HHYXFGMWXJGWRQ-WPRPVWTQSA-N	234.727	-0.004	50	10	BBGE	
NNC(=O)COC[C@H]1CCCCCO1	1932337060	CXPXPQHWAYXGFD-MRVPVSSYSA-N	202.254	-0.048	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@@H]2C[C@H]21	1934311924	OJACLTUEKHSZTD-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(C)(CO)C1	1935358332	JMJYMIIWAXUSFD-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)n1	1936084006	SMDRTWUCCIMTEI-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CN1CCC(NC(=O)OCCl)(C(N)=O)CC1	1939293866	VHZNEVHCFUXOPG-UHFFFAOYSA-N	249.698	-0.141	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2C[C@H](O)CC[C@@H]21)C(=O)NN	1940523139	FPMJZXWQJXQXHG-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(CO)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081892	DJMHYEHNXRZHIT-UMNHJUIQSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)[C@@H]1C(N)=O	1942615840	KZMCQDLJJCRRSD-BGZDPUMWSA-N	242.323	-0.803	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H]2CO)nc1	1944079686	HFAWDVBJRBDSNS-SNVBAGLBSA-N	236.275	-0.748	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2OCCO[C@@H]2C1	1944741192	JKEJPBCLCSFPIX-KYXWUPHJSA-N	243.307	-0.900	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)CC1(C(=O)NN)CC1	1945882665	LLGWWJSWOUIMFV-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN1CCC[C@H](CCn2ccc(B(O)O)n2)C1	1946086652	UKWZXWRYTMUHIK-SNVBAGLBSA-N	237.112	-0.705	50	10	BBGE	
CN1CC2(C1)CN(CCC(C)(C)C(=O)NN)C2	1946903881	ABNANAMRMPRJDL-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(N)[C@@H](C)C1	1949753321	XVFDJLZDHUMROH-YUMQZZPRSA-N	242.323	-0.931	50	10	BBGE	
C[C@@H](CCC(=O)NN)Oc1cccn(C)c1=O	1950722812	RREYZXYUYUHZNW-QMMMGPOBSA-N	239.275	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	1957686903	QUVRYFSNVLJVBS-JRKXVGBNSA-N	209.293	-0.049	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CN2CC[C@H]1C2	1958197534	SGBAPBXNPRMNFK-NKWVEPMBSA-N	231.683	-0.245	50	10	BBGE	
CN1CCN(CCC(=O)NN)[C@@H]2CC[C@H]21	1960963001	FEVLMZZSDYGQGD-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](CF)C1	1961593224	UTDNZYDBTDXPPO-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ccncc1B(O)O	1961777076	GRXHLAAMSGTGJD-OIBJUYFYSA-N	206.054	-0.394	50	10	BBGE	
Cc1nccc(C(=O)N2CCC(B(O)O)CC2)n1	1964501237	SUELAFMLENKPIO-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@@H]1CC[C@@H](C(=O)NN)O1	1975983904	YWJLBPIYIVCCCN-CSMHCCOUSA-N	227.264	-0.855	50	10	BBGE	
CCNC(=O)C1CN(C(=O)NC(=O)CCl)C1	1980035154	RCYDUWZUISBWRG-UHFFFAOYSA-N	247.682	-0.471	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CC[C@H]1C2	1980348458	JVPBZPXBLSIFEX-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CCN(C)[C@@H]1CCCN(CCC(=O)NN)C1	1981059259	TYUHYGCZQMPBKH-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@@H]3C2)nc1	1981415916	JVVHLYCONFOOGW-DTWKUNHWSA-N	218.065	-0.392	50	10	BBGE	
COc1nc(SCC2CC2)ncc1B(O)O	1984009793	OSKGUZUFTXIULW-UHFFFAOYSA-N	240.093	-0.333	50	10	BBGE	
C[C@@H]1C[C@@]1(C)Cn1cccc(B(O)O)c1=O	1988992463	BEIZQWFTORQPPX-KCJUWKMLSA-N	221.065	-0.426	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CCCCC(=O)NN	1990040562	GCGUYHBYLJGCEN-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CNCCCSC[C@H]1CC[C@@H](C(=O)NN)O1	1990229426	GOUFGJPLWBFJIR-BDAKNGLRSA-N	247.364	-0.133	50	10	BBGE	
Cn1ccc(C2CN(CCC(=O)NN)C2)n1	1990726294	XSTYZAVWMYBXAO-UHFFFAOYSA-N	223.280	-0.801	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCNC(=O)C1CC1	1991703134	CVZKQDUYCKWAOZ-ONEGZZNKSA-N	244.678	-0.050	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(C)C1	1995641661	WUBQDUPOKUGCBT-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H]1CCOCCN1C[C@H](C)C(=O)NN	1998228777	YUMYTJGEVNTJHO-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CCCOCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2001339547	IHAJJZTVHMNTGH-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@@H](C)[C@@H](C)C(=O)NN)C1	2002123130	YVWQBOYOSYHNJO-KATARQTJSA-N	245.323	-0.918	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@]1(C)COC	2002851872	ZTSPGMCHAOLHFU-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(n2cnnc2)C1	2003860238	LYKKHDGMCSDWAF-SECBINFHSA-N	238.295	-0.851	50	10	BBGE	
CCc1nnc2n1CCN([C@H](C)C(=O)NN)C2	2004030760	HNWWVZDCYCHNIH-SSDOTTSWSA-N	238.295	-0.966	50	10	BBGE	
Cc1cc(N2CC(C(F)F)C2)ncc1B(O)O	2005017328	CQYFUUWHFRGLHJ-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006196634	BELWGYRHFOEIKN-LMLFDSFASA-N	241.335	-0.175	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C)(CF)C2)n1	2008690103	MHPPILMFHJCCSN-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cncnc1	2009050297	NROWELQSNGSCCV-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](F)C[C@@H](F)C1	2011415389	RNCIEWBMQMLBKV-OCAPTIKFSA-N	242.034	-0.352	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CO[C@H]2C[C@@H]1C2	2011813956	XPYTZGJWOIMAJQ-AEJSXWLSSA-N	239.319	-0.134	50	10	BBGE	
COCCCCOc1ncc(C)cc1B(O)O	2014224007	JLAJKDRWBXSFBK-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C=C[C@]1(O)CCCN(CCOCC(=O)NN)C1	2018856349	QIJGNMLDONZGLJ-NSHDSACASA-N	243.307	-0.994	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCO[C@@H](C)C1	2019210994	OWMJXXSFTJFDEZ-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
COC[C@@H](O[C@@H]1COC2(CCC2)C1)C(=O)NN	2020644906	BFQBKRCXHYMXAH-DTWKUNHWSA-N	244.291	-0.281	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccccc1B(O)O	2022196235	JJHFKMUQGLTHTR-VIFPVBQESA-N	231.060	-0.492	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12COC(CF)(C1)C2	2023947210	BQPJUPRZBUOVPO-MFAVDMRSSA-N	245.298	-0.185	50	10	BBGE	
CCCOC1CN(Cc2ccc(B(O)O)cc2)C1	2040865771	BBSOVLYVFFRRPB-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(C)c1B(O)O	2060032070	ITWZPIKOKOUWCX-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1c(B(O)O)cc(F)cc1[N+](=O)[O-]	2060129702	RIXWVIVNCJZFPH-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
NNC(=O)c1cncc(CN2[C@@H]3COC[C@H]2C3)c1	2077827563	MJVRNMGMZOZKLF-PHIMTYICSA-N	248.286	-0.342	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ccccc1B(O)O	2079009020	OIUMISHSYOHWIE-SECBINFHSA-N	246.075	-0.212	50	10	BBGE	
Cn1ncc(COCc2ccc(B(O)O)cc2)n1	2080348533	XYVAVSMJMQSZEL-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
NC(=S)NNC(=O)[C@@H](F)C1CCC1	2209312625	AANWMWQXBVAKQS-YFKPBYRVSA-N	205.258	-0.011	50	10	BBGE	
COCCOC[C@H]1CC[C@@H]1C(=O)NN	2209905678	CCCROHVDQZEZFU-SFYZADRCSA-N	202.254	-0.335	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2(F)CC2)n1	2211059769	RSRNLIYQIKRIPN-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
C=CC1(O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2211838183	DKBPPNQXJKSZJV-IUCAKERBSA-N	225.292	-0.765	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCSCC1=O	2211839831	ZVEWPUSHOAIXTK-SFYZADRCSA-N	243.332	-0.422	50	10	BBGE	
C[C@H](O)C1(Nc2cc(B(O)O)ccn2)CC1	2212601791	SYJAALAXMMPGIR-ZETCQYMHSA-N	222.053	-0.913	50	10	BBGE	
CSCCN(C)c1cc(B(O)O)c(C)cn1	2212605984	MPXPXXNTRBLZKK-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
CSC[C@@H](C)COc1ncc(B(O)O)cn1	2212609246	OVDAXGPREYFQDI-ZETCQYMHSA-N	242.109	-0.466	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)ccn1)C1CC1	2212613387	VEZILZSNJISVOH-SNVBAGLBSA-N	216.049	-0.415	50	10	BBGE	
C[C@@]1(O)CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217183025	INHDUKRFDYQLEP-GXSJLCMTSA-N	236.080	-0.523	50	10	BBGE	
CC[C@H](C)[C@@H](CN)Oc1ncccc1B(O)O	2217186088	FYPBVQVTKLQUKP-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
C[C@@H](CN)CCOc1nccc(B(O)O)c1F	2217186259	HYALXRWCRDECFA-SSDOTTSWSA-N	242.059	-0.736	50	10	BBGE	
C[C@]1(CCO)CCN1c1ncccc1B(O)O	2217194664	BRZUOGRENRTRPM-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cnco1	2217196233	CYONURHHEACTQM-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
O=C1C[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220061345	DJGXHFNBAUUDKR-WDEREUQCSA-N	245.087	-0.265	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncnn1C	2223625175	CXZKZEWRDQJBGM-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2c1ncccc1B(O)O	2223630342	ZUVFBUVGRRXRFR-IQJOONFLSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1ccc(=NCc2ccccc2O)[nH]c1	2223632871	PBWQJQFNFAUQJT-UHFFFAOYSA-N	244.059	-0.499	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CO[C@@H](C3CC3)C2)nc1	2223637673	REVJANKCAALHTC-VHSXEESVSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@H]2CNC3)nc1	2223649803	DGLLLZCXKGCQPD-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
C=CC1(Oc2ncccc2B(O)O)CCNCC1	2223651611	YCWXFSWEWOCTHZ-UHFFFAOYSA-N	248.091	-0.552	50	10	BBGE	
NCC[C@H]1CCCN(c2ncccc2B(O)O)C1	2223668471	ZRFUVIKXSHEBMT-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@]23CCCOC3)nc1	2223673492	KRCJQOYMANERSR-MWLCHTKSSA-N	249.079	-0.863	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)N(C)C1CC1	2223676205	XXQNBPUBSIRPPB-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
N#CC1(O)CCN([C@@H](CN)CF)CC1	2241295470	OWKNJNQUTJWNMZ-MRVPVSSYSA-N	201.245	-0.366	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC2(CNC2)C1	2242112072	GOYQBOVBRNKEJG-MRVPVSSYSA-N	215.684	-0.208	50	10	BBGE	
C=C(CS(=O)(=O)NCC=CCl)B(O)O	2242564828	GMXRXGPKLMUETJ-UHFFFAOYSA-N	239.489	-0.774	50	10	BBGE	
CCCCN(O)C(=O)c1ccoc1B(O)O	2243349225	ICXDYYDOYNNUDU-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1csc(B(O)O)c1	2243361814	HNVUZKGIRNVTNR-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CCCN(CCCO)C(=O)C1(B(O)O)CC1	2243364119	RFGDQABBSIJQFL-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)C1(B(O)O)CC1	2243365888	UMRBXDUWPNFUFR-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)C1(B(O)O)CC1	2243366025	WIHKMMWXMVIRHI-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
CCCNC(=O)c1cccc(C)c1B(O)O	2243367067	NDNFOJDXQLJMDT-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
CCC(CC)NC(=O)c1csnc1B(O)O	2243378556	VQNUVDFSKAQBTA-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
CC[C@@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381437	GHGJUWZHUKKSAR-KHQFGBGNSA-N	229.085	-0.483	50	10	BBGE	
O=C(NCc1ccon1)[C@H]1C[C@H](B(O)O)C1	2243390917	DBBZUBLIWNLJBS-LJGSYFOKSA-N	224.025	-0.456	50	10	BBGE	
C#CCOCCN(C)C(=O)C1(B(O)O)CC1	2243398329	PAKDSBIRSBMCGV-UHFFFAOYSA-N	225.053	-0.898	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)C(F)(F)F	2243401754	WEUXRHLYDVCSCX-UHFFFAOYSA-N	236.986	-0.294	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2243406767	FFQJBBNQZWPFHC-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
COC(=O)CCCNC(=O)C1(B(O)O)CC1	2243411499	UZANNQLTQLZLOA-UHFFFAOYSA-N	229.041	-0.937	50	10	BBGE	
CC(C)(O)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2243420227	OVLNKMXBSCHXMY-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243753079	QIWKGRGJUFCYLM-LURJTMIESA-N	227.025	-0.931	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1ccc(B(O)O)o1	2247741921	HZHMXLXCLAKYQO-CPCISQLKSA-N	235.048	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC[C@H]1C2	2247743929	LIHWFEQQCKRRPD-CBAPKCEASA-N	234.064	-0.681	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC(C)C1	2247752580	RUZTXJVQHDNRML-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(F)F	2247803653	CCVAYMKJKCJORR-FSDSQADBSA-N	248.038	-0.956	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)C1	2247804044	DURDDVUTZNRROW-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)[C@H]1CC[C@H](O)CC1	2247852086	OQMSUTIAPNULMX-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(C)c(B(O)O)o1	2247860151	SJPPRCALSCWRCA-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
Cc1ccc(C(=O)N(O)C(C)C)c(B(O)O)c1	2247875516	ZZCYHSYRXCUXBS-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1occc1B(O)O	2247878510	KXOGBJPFHKJABP-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(O)CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247879760	VPNHNDXVZDIYPL-PSASIEDQSA-N	241.096	-0.197	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1cc(B(O)O)n[nH]1	2247885050	DXOXWPWYDJUQFA-JTQLQIEISA-N	237.068	-0.896	50	10	BBGE	
C[C@H](CCNC(=O)C1CC(B(O)O)C1)C(=O)O	2248576582	HNYFLQPZUFUFRY-JECWYVHBSA-N	243.068	-0.534	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H](C)C(F)F)n1	2249472198	CHCMTESDSIAVBG-YFKPBYRVSA-N	247.006	-0.198	50	10	BBGE	
CC1(OCc2cc(F)cc(B(O)O)c2)COC1	2250787649	AHZZFVWZCKRSQS-UHFFFAOYSA-N	240.039	-0.189	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]1C1CCC1	2255454193	VPVGDWMQAMAKHC-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H](C)C#N)cc1B(O)O	2255511814	PJTDXMCBNRILSJ-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
Cc1cc(C(=O)N[C@@]23CCC[C@H]2C3)oc1B(O)O	2255565726	LBOSCGXQNATCAE-QPUJVOFHSA-N	249.075	-0.060	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N(C1CC1)C1CC1	2255735675	XYTUWRGDKQRPLT-UHFFFAOYSA-N	248.091	-0.528	50	10	BBGE	
CO[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2298371775	VJDCMDNDCCCSMA-BBBLOLIVSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CNC2(CCC2)C1)[C@H]1C[C@H]1B(O)O	2298375695	WDGODVGBXZBBQH-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
NCC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375740	YCETUPUBXAIJCN-JLIMGVALSA-N	240.112	-0.517	50	10	BBGE	
C[C@@]1(C(=O)O)C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298463483	GATFIFTZJCJTKX-FWWHASMVSA-N	239.036	-0.909	50	10	BBGE	
C[C@H](OC[C@H]1COC2(CCC2)CO1)C(=O)NN	2301335170	DOMMWSANIYQDSZ-IUCAKERBSA-N	244.291	-0.281	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@H]2CCO2)n1	2302411344	VXPFYDJUDKWSIH-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
N#CC1(O)CCN([C@]2(C(=O)O)CCNC2)CC1	2304548756	CEDSNZJLVGYQBI-LLVKDONJSA-N	239.275	-0.846	50	10	BBGE	
CC1(C)[C@@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2307311229	DVNILTOLIGLQRO-YIZRAAEISA-N	240.112	-0.422	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317310425	ACDXTMACIYRXHO-LDYMZIIASA-N	249.075	-0.862	50	10	BBGE	
NNC(=O)COc1ccc(C(=O)O)cc1	33992455	JTPHAWTXXACFMM-UHFFFAOYSA-N	210.189	-0.247	50	10	BBGE	
NNC(=O)CCC(=O)NCc1ccccn1	58840300	ZZIAMWKPFQLVJX-UHFFFAOYSA-N	222.248	-0.532	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1C[C@@H]1C	66654649	XBVIAFBDPLFUKO-BQBZGAKWSA-N	200.238	-0.174	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCSCC1	82470968	GUBCEMDMBIVLED-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
NNC(=O)c1cc(CN2CCOC2=O)on1	82471327	ALHXFPXSNOKQMQ-UHFFFAOYSA-N	226.192	-0.770	50	10	BBGE	
O=C(CCCCl)N[C@@H]1CONC1=O	86482472	ZTCJITCQBXHQMP-RXMQYKEDSA-N	206.629	-0.448	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)cn2)CC1	94763630	FWSZEFDGDJTQPT-UHFFFAOYSA-N	249.318	-0.568	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCCC2=O)O1	104112089	PKCSUPXXRHUTTD-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	110586981	LSIRKZPQCIDYOB-KXUCPTDWSA-N	240.307	-0.385	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)C1CC1	149056531	KZCUSVCEGQJCFO-ZCFIWIBFSA-N	201.226	-0.375	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@H](O)CCl)cc1Cl	157848068	AJUFPLVFXARHDH-SCSAIBSYSA-N	239.058	-0.210	50	10	BBGE	
COCCOc1cc(F)ccc1B(O)O	211679209	NMCQLQXLIWKWCA-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@H]1C	232418883	WELVUAHYZYCNLR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCOC(=O)CS[C@H](COC)C(=O)NN	232421379	FVDPKGWPSOWSEF-ZCFIWIBFSA-N	236.293	-0.712	50	10	BBGE	
Cc1c(C)n(CC(=O)Cl)c(=O)[nH]c1=O	238538537	UKHOOTZLYANMFP-UHFFFAOYSA-N	216.624	-0.081	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)OC)C(=O)NN	238798115	BEWPHMZUKLVOSJ-RITPCOANSA-N	203.242	-0.253	50	10	BBGE	
COC(=O)NCC(=O)NNC(=O)CCC(C)C	263868729	XNIYWDMWYRSUGO-UHFFFAOYSA-N	245.279	-0.074	50	10	BBGE	
Cc1ccn(Cc2ccccc2B(O)O)c(=O)n1	300900771	NPNHUJIFSXOFCR-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCOc1cnn([C@H](COC)C(=O)NN)c1	304440578	SSVKGACOAFXARI-MRVPVSSYSA-N	228.252	-0.541	50	10	BBGE	
Nc1cc(B(O)O)nc(C(F)(F)F)c1	306197661	NYFUWTBBKJEDDP-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)C(F)(F)F	306425017	ITVXSVUKEMLFPZ-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
COC1(C)CCN(CC(=O)NN)CC1	306898993	YSUAMWPMRAQUAB-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
O=C1C[C@@H]2O[C@H]1[C@H](Br)[C@H]2O	307034863	NCKMEAMUSJYNMT-BGPJRJDNSA-N	207.023	-0.149	50	10	BBGE	
Cn1cnnc1[C@@H]1CCCN1C(=O)NN	308813662	AJYVDZBGJDJMFP-LURJTMIESA-N	210.241	-0.465	50	10	BBGE	
COC[C@H](C)NCC(=O)NNC(=O)C1CC1	309496572	YNPPZFQTJURTNT-ZETCQYMHSA-N	229.280	-0.832	50	10	BBGE	
CC(=O)Cc1c(C#N)cccc1B(O)O	396106532	XHWIXRBDLLSOLR-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CCF)CC1	402778636	MNQKCQABNLYPLP-VIFPVBQESA-N	232.303	-0.658	50	10	BBGE	
CCC[S@](=O)Nc1ccc(F)c(B(O)O)c1	404807690	AXCWWPNLCHMICG-INIZCTEOSA-N	245.084	-0.009	50	10	BBGE	
C[C@@H](NC(=O)C1CC1)c1cccc(B(O)O)c1	404996089	GOMNSQIXRZNMIJ-MRVPVSSYSA-N	233.076	-0.046	50	10	BBGE	
C=CCNC(=O)Nc1cccc(B(O)O)c1F	690148883	WMHAWXJEOMHOJU-UHFFFAOYSA-N	238.027	-0.187	50	10	BBGE	
CC(=O)CC(=O)N1CCC(O)(C#N)CC1	692156721	MIQZPMWMKGTMBW-UHFFFAOYSA-N	210.233	-0.157	50	10	BBGE	
O=C(CCCl)N1CCC(CO)(CO)C1	694654243	DMNUAXNFMRJAEX-UHFFFAOYSA-N	221.684	-0.181	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C[C@@H](Cl)C#N	699188409	UEOJJJHXLVPNPA-DJLDLDEBSA-N	218.684	-0.065	50	10	BBGE	
COCC(COC)N(C)[C@H](C)CCC(=O)NN	702034702	GSXSKDBUQKCHQW-SECBINFHSA-N	247.339	-0.262	50	10	BBGE	
CO[C@H](C)CCC(=O)NNC(N)=S	706052560	DTMSRSZYICKHIK-RXMQYKEDSA-N	205.283	-0.334	50	10	BBGE	
CCN(Cc1nn[nH]n1)C(=O)CCl	707551297	PHGCDPVYFWXVRJ-UHFFFAOYSA-N	203.633	-0.213	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	707558252	MSEDQTWARJATIY-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1Cl)[C@@H]1COCCO1	710868730	ADRGUCGVUANRMG-YIZRAAEISA-N	249.694	-0.086	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	711039071	AMNYWEAJDGCTQS-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CSCC#N	745139276	FTPOOGCUMDRLDD-UHFFFAOYSA-N	230.293	-0.018	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@]1(O)CCOC1	862500564	SINANCSLTDNKFU-NSHDSACASA-N	237.259	-0.594	50	10	BBGE	
C#CC[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1	886362925	SJSKSHSTJYSSOD-JTQLQIEISA-N	249.314	-0.111	50	10	BBGE	
COc1cnc(C(=O)NN(C)C(N)=O)c(F)c1	1137625784	RFMYSIGYBFGSOY-UHFFFAOYSA-N	242.210	-0.115	50	10	BBGE	
CC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1	1290391930	MZBOHCNXPMANTP-UHFFFAOYSA-N	248.304	-0.489	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NN(C)C(=O)OC	1297676746	QBAIETUBBBRQBJ-ZETCQYMHSA-N	214.221	-0.246	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)c1cn(C)nn1	1329352561	WAVDGTYBBBZTGF-ZCFIWIBFSA-N	241.251	-0.999	50	10	BBGE	
CN(NC(=O)c1cncc2ncn(C)c12)C(N)=O	1596555108	OKNHPUCXTQFTPY-UHFFFAOYSA-N	248.246	-0.376	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1ncccn1	1639386263	GCBQOWUEDWVMRR-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H]1Cl	1877393099	CVZSMOJVTDEUOJ-CWKFCGSDSA-N	218.684	-0.154	50	10	BBGE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NN	1879957418	BHYBSPVXZISMQD-ZCFIWIBFSA-N	233.268	-0.484	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@H](O)CN1CC=CCCl	1900163907	AEVIVZIYPYMZIQ-IWSPIJDZSA-N	221.684	-0.820	50	10	BBGE	
C[C@@H](NC(=O)NCCC#CB(O)O)C1CC1	1901477286	VKMPVYMWQXYPQC-MRVPVSSYSA-N	224.069	-0.510	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)[C@@H](F)C1	1901770413	LISFMCNCUDQMCR-VGMNWLOBSA-N	233.287	-0.450	50	10	BBGE	
COCCOCCCN1CC[C@H](B(O)O)C1	1902506962	ZEAHWFFELLQPRM-JTQLQIEISA-N	231.101	-0.412	50	10	BBGE	
CC(C)(C)NC(=O)CN1CC[C@@H](B(O)O)C1	1902515018	AILUWDDWVXVQNQ-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
C/C(=C/C(=O)N1CC[C@H](B(O)O)C1)C(=O)O	1902521838	KOWKFCPAUIUUHE-NGAMADIESA-N	227.025	-0.907	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@@H](O)[C@H]1CF	1905071920	QXQICAUNJSMEAD-YWIQKCBGSA-N	222.647	-0.507	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CCC1(F)F	1905697017	YIFCSNBECSLYQC-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	1908896578	AKNJMBCMDXWAEV-VPOLOUISSA-N	238.335	-0.609	50	10	BBGE	
Cc1cccn(C[C@H](C)C(=O)NN)c1=O	1912229960	WSEQREWQGDPOQH-QMMMGPOBSA-N	209.249	-0.217	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)S(=O)(=O)C1CC1	1913800307	FSANRDHQOCJYBL-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](CN=S1(=O)CCOCC1)C(=O)NN	1913856546	NRDBEKIIHWVZKG-ZETCQYMHSA-N	235.309	-0.889	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914261816	IJZIUYDBTSQZST-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(S(N)(=O)=O)C1	1915005413	YZGBPGUAXOSAHP-YFKPBYRVSA-N	240.712	-0.639	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2cnnc2)CC1	1917090395	MMPKLGCDQZJIOF-UHFFFAOYSA-N	217.232	-0.040	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1[C@H]2CCO[C@H]21	1923406703	NGTPVVHFOWJCIU-UOWFLXDJSA-N	238.165	-0.269	50	10	BBGE	
OB(O)c1cncc(OCC=CCl)c1	1927739804	OPDGJHVNJXAMDB-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2C[C@H](CCl)C2)n1	1928496874	IQSLUYJPHUHUFB-IZLXSQMJSA-N	229.671	-0.043	50	10	BBGE	
CO[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1F	1928691885	IBVOEVLDWCSFGJ-XLPZGREQSA-N	219.260	-0.719	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H](C(N)=O)C1CC1	1932385674	WHJARFFNDYZBLX-INEUFUBQSA-N	204.657	-0.006	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCN(C)CC(=O)NN	1935344046	QWPWGYSOFFNNEU-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
OC[C@]12CC[C@]1(CO)CN(C[C@H](O)CCl)C2	1936636602	GETQLHJCSOSWBE-GMTAPVOTSA-N	249.738	-0.347	50	10	BBGE	
OB(O)c1cccc(OCCOC(F)F)c1	1937688702	MAALVWLSJMJSLZ-UHFFFAOYSA-N	231.991	-0.016	50	10	BBGE	
Cc1csc(CNC(=O)N(C)C)c1B(O)O	1939863748	BYESXGVQXCPWBX-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@@]2(C)C1=O)C(=O)NN	1946988853	HQTVSKQMFLYGFT-KSBSHMNSSA-N	239.275	-0.603	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H]1C[C@@H](O)C2)C(=O)NN	1949271351	QTLVWYCJMPMBKW-ILWJIGKKSA-N	241.335	-0.010	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H]1C[C@H](O)C2)C(=O)NN	1949271352	QTLVWYCJMPMBKW-MYJAWHEDSA-N	241.335	-0.010	50	10	BBGE	
COC(=O)c1cnn(C)c1C[C@H](O)C#N	1952769099	VFZKLNFNSALPLK-LURJTMIESA-N	209.205	-0.366	50	10	BBGE	
NNC(=O)C(=O)N1CCC(=CBr)C1	1954069484	ZAXYKFPOSNKEDB-UHFFFAOYSA-N	248.080	-0.513	50	10	BBGE	
CON([C@H]1CCOC1)[C@@H](C)C(=O)NN	1956249957	BPLWVSNLDNUDFG-BQBZGAKWSA-N	203.242	-0.983	50	10	BBGE	
CC(C)N1CCCN(C(=O)NN)CC1	1956770585	OOHQCEIQDMNVHK-UHFFFAOYSA-N	200.286	-0.014	50	10	BBGE	
CC[C@H](Cl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1961463541	YEVDKURKHWJPJO-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
CC1CC(Oc2ncc(B(O)O)cn2)C1	1961687049	IXDSKYXWUBCNGH-UHFFFAOYSA-N	208.026	-0.666	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCOCC1	1975103355	HTZWOBNTRRHRAW-UHFFFAOYSA-N	223.223	-0.666	50	10	BBGE	
ClC[C@H]1CO[C@@H](CNCCn2cnnn2)C1	1975558645	YGZLKRJCEIUEEN-DTWKUNHWSA-N	245.714	-0.093	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)[C@H](O)CC12CCC2	1980729547	UCWVHYWIJHXFSH-OPRDCNLKSA-N	249.738	-0.064	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1[C@@H](C)C(=O)NN	1980856431	SNXAZECYVBHENQ-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C2CCCC2)C1	1981090099	ZQXMYKAKJIAAAR-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CSCCN1c1ncc(B(O)O)cn1	1981408795	FKEMXLGQLKAXGM-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC1(C)C	1981409433	MNPQOXSTCKEKGG-MRVPVSSYSA-N	221.069	-0.609	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H](C)[C@H]1C	1981470574	BZIAYIYTSMDGTA-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)[C@H]1CCOC1	1984130083	NULQBSBJFLVHLS-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CC[C@H](CN(C)CC(F)(F)C(=O)NN)OC	1987965164	AQDNQOQXEWNHDS-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NCC=CB(O)O	1991339024	ULGNCZQMAGYNND-IUCAKERBSA-N	227.069	-0.657	50	10	BBGE	
COCCN1C[C@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1991436790	BGRSBSPXSGCAMU-DBIOUOCHSA-N	248.754	-0.105	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)/C=C/C(=O)Cl	1991704913	YHPYMXGZHHBZJJ-WVSAJJKCSA-N	244.634	-0.819	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NCC#CB(O)O	1992138489	JCWGJALTPLMECN-HZGVNTEJSA-N	231.007	-0.591	50	10	BBGE	
C[C@@]1(CCO)CCN1CC(F)(F)C(=O)NN	1994707571	QTDWRJXVCZFGQP-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CN2CC[C@H]1C2	1996733787	OBDZEHDCIPFTBO-VHSXEESVSA-N	238.335	-0.608	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CN2CC[C@H]1C2	1996735516	WRRLODXMEJICCL-NAKRPEOUSA-N	238.335	-0.752	50	10	BBGE	
CCC(C)(C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1998131648	XFBYTKJOVMUTTG-LURJTMIESA-N	246.072	-0.600	50	10	BBGE	
C[C@]1(C(=O)N[C@H](CB(O)O)C(=O)O)C=CCC1	2003321836	AUPPTLYWSKMAON-XCBNKYQSSA-N	241.052	-0.615	50	10	BBGE	
CCCN(CCC(=O)NN)[C@H]1CCCNC1=O	2004315204	XGMCDYJMAJTGSZ-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]([C@H]2CCCOC2)C1	2004402095	MKHCGLLTUZRITN-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
Cc1nc(N(C)[C@H]2CC[C@H]2C)ncc1B(O)O	2004976036	HQGGFFARRAAWPO-XCBNKYQSSA-N	235.096	-0.300	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@H](O)[C@H]1C2	2008044342	BZBKFNVSWPSPDV-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2008045282	HPBPVZUZCHHHBD-ZNSHCXBVSA-N	241.335	-0.154	50	10	BBGE	
Cc1cc(N2CC(C)(CF)C2)ncc1B(O)O	2008690452	RDZWUXFNRHXXOC-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
NNC(=O)CN1CC(N2CCC(F)(F)CC2)C1	2012149070	LGCOAVZPRPOGEA-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3COC[C@H]32)c1	2013469454	WICOVXRDLNEROK-ZYHUDNBSSA-N	233.076	-0.803	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1C1(O)CC1	2013931777	YJBLJHVXHZIDJH-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
CN1CC[C@@H](N(C)CCCC(=O)NN)CC1=O	2014830661	CDMFQESVMLQPPH-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CO[C@H]2CCOC2)O1	2018243042	OXJXXLDCVZEOHG-LPEHRKFASA-N	244.291	-0.281	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@]12C[C@H](CO1)C2	2018479927	SPHSLSIGISFEKH-QFOLPQNPSA-N	239.319	-0.277	50	10	BBGE	
Cc1nocc1C(=O)N[C@@H]1CCC=C1B(O)O	2020056189	IQSMHVMXGRJVLS-SECBINFHSA-N	236.036	-0.186	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@H]4C[C@@H]43)(C1)C2	2023853248	KNKIRLYMSMTAFV-QSFUFRPTSA-N	237.303	-0.380	50	10	BBGE	
CN(CCC(=O)NN)CC12COC(CF)(C1)C2	2023948482	UWXRSZAHNYQUJL-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C1(C)COC1	2026710208	COABCCOOILIKOE-DTWKUNHWSA-N	243.307	-0.755	50	10	BBGE	
Cc1ccc(NC(=O)c2cocn2)c(B(O)O)c1	2031814881	KEDOQKSZLRPWGD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CO[C@@H]3CNC[C@H]32)CC1	2042710044	TUGBBTNTXKUULK-QJPTWQEYSA-N	247.298	-0.097	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)c1ccncc1B(O)O	2052494389	LRNLSXDGOJFSJY-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@H]1CCNC1	2209391297	INTHTHLHWRCHEJ-RQJHMYQMSA-N	203.311	-0.150	50	10	BBGE	
O=C1CN(C[C@H](F)[C@@H]2CCOC2)CC(=O)O1	2212187623	SJCALKJEZLWFAV-SFYZADRCSA-N	231.223	-0.254	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(F)C1	2212301577	QGPSTRGLXDILKE-XKSSXDPKSA-N	231.271	-0.575	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC12CN(C)C2	2212307367	BLZZEDDDAKVFRO-SECBINFHSA-N	226.324	-0.609	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1cc(B(O)O)ccn1	2212600342	BZDNSBMKSBENSX-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
CC(C)[C@@H](N)CNc1cc(B(O)O)ccn1	2212610671	MTPSYIYVQHYKIF-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN(C)c1ncc(B(O)O)cn1	2215321778	NENFPTUWQAFIBA-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)N(C)C[C@@H]1C	2216200624	VTJCXGKTQLISTQ-IUCAKERBSA-N	242.323	-0.822	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CCO[C@H]3C2)CCC1	2216527930	JGBRMVYNTMSZPD-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@]3(CO)C2)CCC1	2216528583	QNYGUQDVISJUIS-BXKDBHETSA-N	239.319	-0.539	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNc1cc(B(O)O)ccn1	2217177092	FIZCLVKUWCUNPF-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2C[C@H]2C)cc1B(O)O	2217181196	NTYWFXXEMZFSIT-SCZZXKLOSA-N	234.108	-0.050	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)c1cc(B(O)O)ccn1	2217200912	MUZIGQCZFDVEJH-ZJUUUORDSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1ccnc(NCCN2CCCC2)c1	2217204103	FCEYDFQUBVOIKZ-UHFFFAOYSA-N	235.096	-0.731	50	10	BBGE	
CN(Cc1cccnn1)C[C@@H]1CC[C@H]1C(=O)NN	2221573137	PPXGBOCIHNMWHH-GXSJLCMTSA-N	249.318	-0.076	50	10	BBGE	
Cc1cc(CN(C)c2cc(B(O)O)ccn2)no1	2223625936	GEMKRMVTHJBFJM-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1cnc(N2CCN[C@@H](C)CC2)cc1B(O)O	2223652839	MDDGRWURFJWKQP-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
CCN1CCC[C@H]1CNc1ccc(B(O)O)cn1	2223671733	ARQGPFUOVYBBJM-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
CC(C)(C)ONC(=O)C1(B(O)O)CC1	2241473805	QGFFPELDBLXYTN-UHFFFAOYSA-N	201.031	-0.160	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)C1(B(O)O)CC1	2241733550	ATYCVTNCBDGXEA-LURJTMIESA-N	203.022	-0.190	50	10	BBGE	
CCn1c(O)cc(=O)n(C[C@H](Cl)C#N)c1=O	2243058222	GTUYAMGBOBPZBO-ZCFIWIBFSA-N	243.650	-0.134	50	10	BBGE	
CC(C)C[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243357019	QDOZDFWMWNCYBZ-JTQLQIEISA-N	223.081	-0.104	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@@H](F)C1	2243358393	GHTLQCWFLJEQNG-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)sn1	2243377626	DDPILIIAOGCDCN-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CC(F)C1	2243377788	HALXFPPRLZGKDX-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)sn1	2243377908	JDWYEYWRBROIQJ-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)sn2)[C@H]1C	2243378118	MUEVWLHJBFQWJT-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
C[S@](=O)CCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243381138	CLOAFNLRLCXATL-DELOJEAUSA-N	247.125	-0.876	50	10	BBGE	
CNCC[C@H](C)NC(=O)C1CC(B(O)O)C1	2243397193	XANCVJCALRGJJV-UEJVZZJDSA-N	228.101	-0.646	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)cnc1C	2243399504	MVMOUQCTCPIUJC-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
CN1CC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243403873	FEDOZSVZGNSGTG-IWSPIJDZSA-N	226.085	-0.940	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1csc(B(O)O)c1	2243408145	IBCLOFSPNQUFNT-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCC1	2243410170	WKSDJJOHARJTPQ-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1sncc1B(O)O	2243414938	LDTGMRDPAFKEIU-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
C=C[C@H]1COCCN1C(=O)C1(B(O)O)CC1	2244001805	SNQGNJQJQLVAIP-QMMMGPOBSA-N	225.053	-0.593	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](P(C)(C)=O)C1	2245232758	XMTBGHNYIREXFI-SFYZADRCSA-N	249.251	-0.354	50	10	BBGE	
N#CC1(O)CCN(c2nnc(CO)o2)CC1	2246033191	XZOJUGIRQAQUBT-UHFFFAOYSA-N	224.220	-0.583	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)N1CC(F)(F)C1	2246836200	TWCNLHYQGAMAIM-ZETCQYMHSA-N	246.022	-0.252	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)oc1C	2247737560	IDHDBJJWZADXAK-UHFFFAOYSA-N	235.048	-0.589	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC=C(F)C1	2247740908	RIWPHLZIROMOHA-UHFFFAOYSA-N	238.027	-0.606	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1cc(B(O)O)c[nH]1	2247746804	DSOJJGBEWFLJJF-UHFFFAOYSA-N	242.059	-0.485	50	10	BBGE	
O=C(C#CB(O)O)NCC12CCC(CC1)CO2	2247747835	SYADOLXULLQVEJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cn(C)c(B(O)O)n1	2247748149	YUJOQMZVWHYHOA-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2C[C@H]2F)c1	2247761707	WMZIKUVGFIUPEA-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247766562	OTYUHFKQIWOJSN-QMMMGPOBSA-N	236.080	-0.813	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncon1	2247790493	HSMKCDGGNHETTJ-QYNIQEEDSA-N	239.040	-0.848	50	10	BBGE	
C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247805465	KIAOJOCEIQILMF-HJGDQZAQSA-N	241.096	-0.483	50	10	BBGE	
C[C@]1(CNC(=O)C2CC(B(O)O)C2)CCCN1	2247806817	GLFHCWWJPKOAQG-NWGYLPEXSA-N	240.112	-0.502	50	10	BBGE	
CC(C)C[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810353	WROXQYBDFFCJTA-OPRDCNLKSA-N	243.112	-0.237	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@@H]1C(F)(F)F	2247847222	UEWUMXDAWKORSD-BQBZGAKWSA-N	248.997	-0.151	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247847377	WKLTUHXXVACAFU-ZETCQYMHSA-N	235.052	-0.931	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ncc[nH]1	2247853228	IHJJESZLUAVUQH-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CC(C)=CCNC(=O)c1ccncc1B(O)O	2247854379	BTKNJRNJASRHHK-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CC[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247858423	DXEPWUMQYALCMD-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C(=O)C1(B(O)O)CCC1	2247879778	XMJBSVKQRNJTAF-IUCAKERBSA-N	238.096	-0.702	50	10	BBGE	
C[C@@H](CN1CCCC1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247888213	XCZZQDCXPZJGPS-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCC1(O)CCCC1)[C@H]1C[C@@H]1B(O)O	2247894873	LRYDJHFVVGWRSE-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1C	2248586184	WZSOIKCSGNNSKW-ZJUUUORDSA-N	236.080	-0.187	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccccc1B(O)O	2249302155	BSNBKTLCTKGBRU-MRVPVSSYSA-N	239.055	-0.204	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)[C@@H]1C[C@H]1C	2249434211	XDUKFSMRFHEARC-GJMOJQLCSA-N	237.064	-0.266	50	10	BBGE	
CC[C@H]1OCC[C@H]1C(=O)NCCC#CB(O)O	2250003191	UYFWCWQJPWNMEN-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2ccncc2B(O)O)CC1	2255444685	OEBNNGYVKOCIRA-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NC1CCC1	2255498418	QZPYHDTUTFWJPF-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC3(CC3)C2)c1	2255510353	VXVZTCFJAQIVRQ-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1[C@H]2CCC[C@@H]1CC2	2255553723	BXSXDQBICQFAJZ-OCAPTIKFSA-N	249.079	-0.753	50	10	BBGE	
Cc1c[nH]nc1NC(=O)c1cc(C)c(B(O)O)o1	2255574187	XRDAJKFEBPECSA-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@@H]3C[C@H]3C2)c1B(O)O	2255576656	JLIFGBIJUOHBQN-IUCAKERBSA-N	246.075	-0.838	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]c1	2255578705	JSEDEQCAXUNHRP-KYZUINATSA-N	245.047	-0.433	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC=CC[C@@H]21	2255674355	LSUXIASBUILBSA-BDAKNGLRSA-N	247.059	-0.250	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cocc1B(O)O	2258123366	NUUQAMXEEFGWDX-LMJCNIAPSA-N	247.059	-0.656	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CO[C@H]1C2	2298555308	FXEZHPJVQSLLCK-HGNGGELXSA-N	234.064	-0.649	50	10	BBGE	
CC12CC(C1)[C@@H](Cn1ccc(B(O)O)n1)CO2	2300551920	ADTSYSYJYIXMPY-YUCVTWSNSA-N	236.080	-0.622	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CC=CCO1	2301818619	SMFOSBSDROBNCA-JTQLQIEISA-N	239.080	-0.155	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	2302208754	ZFVXAFAYOSJTEK-IVZWLZJFSA-N	239.319	-0.134	50	10	BBGE	
Cn1cc(Oc2cc(B(O)O)c(F)cn2)cn1	2303850989	YHAFHFQGFASXLR-UHFFFAOYSA-N	236.999	-0.574	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2312516108	LRTNMXFMGCSBSL-FHMMKVKMSA-N	249.314	-0.131	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccoc1B(O)O	2312848167	QVWPRHBONXBFGU-QXFUBDJGSA-N	247.059	-0.346	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)C[C@H]2CN[C@H]1C2	2317204823	YDMIGARLMGMJDU-PTOFAABTSA-N	248.091	-0.719	50	10	BBGE	
NC1CC(CNc2ccc(C=O)c(B(O)O)c2)C1	2317312910	OPTVCRBVPXRFKS-UHFFFAOYSA-N	248.091	-0.672	50	10	BBGE	
COCCNC(=O)C(C#N)=CNc1nc[nH]n1	2324627234	ONNQAFJCTOJQSD-UHFFFAOYSA-N	236.235	-0.613	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCCN1CCCC1	58855668	AFHQJRFYDPHTGF-JTQLQIEISA-N	228.340	-0.170	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(CO)CC1	82465799	DFWJPHALRCIMQN-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	82468599	RQVKKOWCYIACIL-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC(C)N(CCCO)CCCC(=O)NN	82470871	DXELYJMHRPSUPY-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CN(CCCCCC(=O)NN)CC(=O)N(C)C	83680089	NTBLFQKVOCJTDJ-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
NNC(=O)c1cccc(CN2CCOCC2=O)c1	93226299	URUPIORKJDRBDQ-UHFFFAOYSA-N	249.270	-0.351	50	10	BBGE	
C[C@H](CN1CCN(C)C(=O)C1(C)C)C(=O)NN	94867015	HALUMEUEJJYPRC-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
CNC(=O)C1CCN(C[C@H](C)C(=O)NN)CC1	110592993	CEBXQDMRFOKZOL-QMMMGPOBSA-N	242.323	-0.930	50	10	BBGE	
CCCCOCC(=O)NNC(=O)c1c[nH]nn1	118333774	UQDCDWXICZXLHO-UHFFFAOYSA-N	241.251	-0.618	50	10	BBGE	
CO[Si](C)(CN1CCNCC1)OC	196944462	ZQTFNSWRSCEXRH-UHFFFAOYSA-N	204.346	-0.204	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)C[C@@H](C)O1	199014088	CPSBSQKHPTYMMS-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
COC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	203524936	CZJIIYCUFNWYME-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCN(C)C1=O	218357378	MSHXFPTWQNNFMR-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
C[C@@H](N[C@H](O)C(=O)NN)c1ccccc1	218532245	DHDICIKEYHKHGR-VXNVDRBHSA-N	209.249	-0.355	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H](C)CO	228549680	UPBOMLVJRRVXLV-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCSC1	232419139	XBDCPGAHNPBXSW-SFYZADRCSA-N	233.337	-0.571	50	10	BBGE	
CCC[C@H](SCC(=O)N(C)C)C(=O)NN	300835520	LDJHPLMXGZHCNB-ZETCQYMHSA-N	233.337	-0.034	50	10	BBGE	
CCC(=O)NCCNS(=O)(=O)CCCl	393080634	LVJLKKBLSKPUEQ-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1cc(Cl)ccn1	393827789	ROBJMZBCPIHVNT-UHFFFAOYSA-N	243.606	-0.168	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)cc1S	396024840	LYRDUARZIXOCQW-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)OC1CCC1	405096822	ZTMCQYFXPFDZFP-UHFFFAOYSA-N	242.065	-0.076	50	10	BBGE	
CCN(CC)C(=O)Nc1ncc(B(O)O)s1	405137055	UTPAZNFUHWSLJM-UHFFFAOYSA-N	243.097	-0.303	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCc1nccs1	688775140	DHVNIDAOLXRPGI-ZETCQYMHSA-N	228.321	-0.004	50	10	BBGE	
CN1CCC[C@@H](CN(C)CCC(=O)NN)C1	705216610	NTEGSZHHGAHHMY-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CN1C[C@@H]2CN(CCCCC(=O)NN)C[C@H]2C1	706305933	CTQGSIOZDRVMHE-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
CNNC(=O)CNC(=O)c1ccccc1F	707544677	PKMVQPHJSNNGIF-UHFFFAOYSA-N	225.223	-0.194	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(O)(C#N)CC1	709392471	XPNHPMKVZPGZFR-BDAKNGLRSA-N	240.307	-0.649	50	10	BBGE	
CCCC1(O)CCN([C@H](C)C(=O)NN)CC1	710231350	FDLHSONJZJTTFA-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CN(C)C[C@H](Cl)CN(C)CCn1cnnn1	712592284	AJJSAUSXEHVXRZ-VIFPVBQESA-N	246.746	-0.226	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CNCC23CC3)CC1	716002856	QGOACYYLERCIOW-JTQLQIEISA-N	249.314	-0.137	50	10	BBGE	
CN1[C@@H](CNC(=O)CCl)CCS1(=O)=O	725703710	BXLFZKUPXIIXFU-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
CC1(C)CC[C@H](C(=O)NNC(=O)C(C)(C)O)O1	787570366	NAGRGKSQCWJRMA-SSDOTTSWSA-N	244.291	-0.138	50	10	BBGE	
Cn1ncc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n1	844608825	KWJKRVRTCWBSNE-OPRDCNLKSA-N	249.274	-0.167	50	10	BBGE	
COCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862887703	ADSBKBQLYWEKDH-YUMQZZPRSA-N	230.264	-0.262	50	10	BBGE	
CN(C1COC1)S(=O)(=O)CCCl	1253482056	YECAVEWPFKLRKX-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cc2n(n1)CCC2	1333702177	XLBCWTFUEKCAQS-UHFFFAOYSA-N	236.231	-0.548	50	10	BBGE	
Cn1ncc(C(=O)NNC(=O)NCC2CC2)n1	1464481882	ABJAOOBIBJTFLT-UHFFFAOYSA-N	238.251	-0.831	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](O)C1CCC1	1464484952	MYBXWSCUAIBBLC-ZETCQYMHSA-N	215.253	-0.502	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1cn[nH]c1	1588291650	YBAMTQXBLQPXQS-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)N(C)C	1625912221	KKIKJNUYDRYMCI-VIFPVBQESA-N	215.253	-0.384	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cnc2c[nH]nc2c1	1629362724	RCIFRDGWXYPFEQ-ZETCQYMHSA-N	249.274	-0.085	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)C1=COCC1	1639383535	WFVTYSRVATVHKF-UHFFFAOYSA-N	234.215	-0.458	50	10	BBGE	
COC(=O)[C@H](Cl)CNS(=O)(=O)CCF	1884896889	ROLJDFKVZDAMEA-RXMQYKEDSA-N	247.675	-0.344	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(C(=O)CCl)C1	1891925869	ZUBMQJOOXIBDEE-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc(C#N)ccc1=O	1894125726	NPCVRALUIGPRPO-SSDOTTSWSA-N	220.232	-0.339	50	10	BBGE	
CCN1C(=O)CN([C@@H](C)CC(=O)NN)C1=O	1894133108	HWGFSBHUBVDGGK-LURJTMIESA-N	228.252	-0.961	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	1895126706	XTOHIFLWDYPAOI-SFYZADRCSA-N	221.069	-0.751	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](COC2COC2)O1	1896929339	NTNMMEWLVWJNEB-CBAPKCEASA-N	230.264	-0.671	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	1902154373	PTMBJBSEVKCILT-GUBZILKMSA-N	229.324	-0.296	50	10	BBGE	
Cc1nccnc1CN1CC[C@@H](B(O)O)C1	1902535246	ZTZLRAPSFDTPPP-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
CC(C)(CCN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	1907853363	DEAJDESPDCLLCL-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1cccc(C=CC(=O)NCB(O)O)c1	1911738661	KIZCMXIGFABBQT-UHFFFAOYSA-N	230.032	-0.300	50	10	BBGE	
CS(=O)(=O)c1ccsc1CNC(=O)NN	1912405179	FQFDASSOUSLBTB-UHFFFAOYSA-N	249.317	-0.176	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C=CCC1	1913642109	RKESKRDLSAQFNF-MRVPVSSYSA-N	232.048	-0.334	50	10	BBGE	
C[C@@H](CN(C)CCOC1CC1)C(=O)NN	1914552864	VMLILNJFQOYFSP-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@]12CCOC2	1915574155	WXYACXULFKGCJC-ONGXEEELSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1927917684	XRIPYZGVYJFZPM-XSPKLOCKSA-N	213.281	-0.933	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCS(=O)(=O)CCO1	1928681954	LJLLMCPTOFPZMJ-LURJTMIESA-N	241.696	-0.198	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]1CO	1929740880	NHXKVSHOVMGYLQ-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2[C@H](C1)C2(F)F	1931858297	POJHTDGQENYHNU-WHFBIAKZSA-N	219.191	-0.910	50	10	BBGE	
Cn1nncc1[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1934427819	LUYAJSSRRFTBIJ-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H]3C[C@]3(CCl)C2)n1	1937042772	QPSAPWKKYBRKPB-MUWHJKNJSA-N	241.682	-0.089	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CCC[C@@H]21	1937413926	CYJVBJXQNZBPQY-MAUMQABQSA-N	223.276	-0.377	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)[C@H]1CCCCO1	1937866984	UPFIAAKJMOAQAU-SSDOTTSWSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)c1coc(CN2CC3CC2C3)n1	1938563485	JJDYGIBYOCIYFD-UHFFFAOYSA-N	222.248	-0.128	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCCC[C@@H]1O	1941094930	PXNYNAYTNZRCJY-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCCN1C	1941784690	RSQZWCYGQURODA-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CSC3)C2)c1	1942552701	PBKDYRCUDRDLTE-UHFFFAOYSA-N	249.144	-0.085	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1[C@H](C)CC(=O)NN	1942613063	LMKLYWDBHUFMQO-MRTMQBJTSA-N	242.323	-0.789	50	10	BBGE	
CON1CCC(N(C)CCCC(=O)NN)CC1	1942616715	SEBXQFSTCHKXPW-UHFFFAOYSA-N	244.339	-0.286	50	10	BBGE	
CCCOC1(C(=O)NCB(O)O)CC1	1954979204	ZSCRINRZOYIOKU-UHFFFAOYSA-N	201.031	-0.926	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)CC[C@H]1O	1956255667	BXVHFJUEVRPVRL-XHNCKOQMSA-N	223.700	-0.739	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1C(=O)NN	1956778622	UGBYGMAYTWXAEO-QMMMGPOBSA-N	200.286	-0.158	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2CC(C2)C1	1959797254	KLLGDBKDRLHQBA-AMDVSUOASA-N	213.281	-0.667	50	10	BBGE	
C[C@H](CCl)CN1CCN(CCO)C(=O)C1	1961457409	WSHCXTOMMGXKDQ-SECBINFHSA-N	234.727	-0.002	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1C(F)F	1961505491	ZVKSGHZNVPVJLA-NTSWFWBYSA-N	223.223	-0.669	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]2C[C@@H]21	1961509031	OHNZDYGPCHKKEX-XHNCKOQMSA-N	213.281	-0.526	50	10	BBGE	
CN(CCN(C)C1COC1)C[C@@H](O)CCl	1961836757	GVHSIUSPGMPGQZ-JTQLQIEISA-N	236.743	-0.152	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2COCC[C@@H]21	1980814851	YWVSGJMHGCNARV-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CCOCCCOc1ncccc1B(O)O	1981429343	CMLRSEZABRAZNT-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
Cc1ncnc(N2CC[C@H](F)C2)c1B(O)O	1981446786	DDRRDKBPASGLOR-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)O	1982103290	NOPZUKJAKIMULF-OOJXKGFFSA-N	227.264	-0.129	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)[C@H]2[C@H]3COC[C@H]32)C1	1982232028	JUPIGDBBISLXGU-LRPJSKTQSA-N	244.722	-0.084	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCC(O)(C(N)=O)CC1	1982342931	HEHUQWAVMOYAQX-SSDOTTSWSA-N	248.710	-0.157	50	10	BBGE	
Cn1cnc2sc(C(=O)NCB(O)O)cc21	1982494638	KLTUHJKVYCUENV-UHFFFAOYSA-N	239.065	-0.623	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)[C@H]1C[C@H]1F	1982808657	NICXHVFXVUNQBZ-NKWVEPMBSA-N	243.068	-0.598	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@H]2NC(=O)O[C@@H]2C1	1983454236	ZLGCPWZHPJPBRL-RFZPGFLSSA-N	247.638	-0.746	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=C[C@H]1CO	1984127653	BVOYCNCSOIQICE-ZETCQYMHSA-N	235.234	-0.766	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@H]21	1987061798	OWIDHUYCXZJMBU-YIZRAAEISA-N	227.308	-0.278	50	10	BBGE	
NC[C@@H]1CN(C(=O)C=CC(=O)Cl)CCCO1	1991661728	DWXMMKRYKBVDFB-MRVPVSSYSA-N	246.694	-0.116	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1991688655	PZAJCPCOLBDBJU-RITPCOANSA-N	244.678	-0.123	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)/C=C/C(=O)Cl	1992051949	CKLRBYULCQFJCQ-ONEGZZNKSA-N	243.654	-0.510	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1[C@H]2CCC[C@H]21	2002179028	UFMUDTHONYIWAQ-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1CO[C@@H](CN2CCC(O)(C#N)CC2)CN1	2002297215	PEXYOSWWMAEGPK-WDEREUQCSA-N	239.319	-0.286	50	10	BBGE	
C[C@H](CN1CCOc2ncccc21)C(=O)NN	2004297209	FNNAGFRBGDGZBJ-MRVPVSSYSA-N	236.275	-0.094	50	10	BBGE	
CC[C@@H]1CCN(c2ncc(B(O)O)cn2)[C@H]1C	2004916117	IBALTBFVINLSKZ-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]2CO3)n1	2005016686	SYKZPIYYXVZMFU-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014822476	AQLCNYOLTBMCNZ-WCBMZHEXSA-N	242.323	-0.837	50	10	BBGE	
COC1(C)CN(c2ncc(F)cc2B(O)O)C1	2014928232	HNADYCPUNYKJJQ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ncc(F)cc1B(O)O)C2	2014930138	PQEVJUQIVORRRD-CPCISQLKSA-N	236.055	-0.253	50	10	BBGE	
C=C(CN1CCC[C@H]1COCCOC)B(O)O	2021159610	WDILJZMNYDYWKZ-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cccc(B(O)O)c1	2022201125	YROZALSQHVMHET-NXEZZACHSA-N	231.060	-0.495	50	10	BBGE	
OB(O)c1ccccc1COCCC1COC1	2022708479	WOADXHGEOVDHKS-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C2(CC2)C1	2052468752	IJBTXPXBINWIRW-VIFPVBQESA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C[C@H]1C=CCC1	2055737447	HCEYEPYRWFLRNU-QMMMGPOBSA-N	244.063	-0.528	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1[C@H]2CCCC[C@H]21	2058156919	WWOLRTZBLLVQLM-ZSBIGDGJSA-N	247.103	-0.036	50	10	BBGE	
CCc1cc(B(O)O)c(OC)cc1OC	2060056214	NOVWKGQFXFCDIY-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
O=Cc1cc(B(O)O)cc(Cl)c1[N+](=O)[O-]	2060132032	UTGOBVSORAZKDV-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCOc1c(B(O)O)ccc(OC)c1C#N	2060204985	ODBWAAJFWGJZCY-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
O=C(O)c1cc(OC(F)(F)F)cc(B(O)O)c1	2070371441	YQELXKHHQXOANR-UHFFFAOYSA-N	249.937	-0.037	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1[C@H]2COC[C@H]1C2	2077828497	ADKLTJSYCIZXPB-CHWSQXEVSA-N	247.103	-0.352	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)[C@@H]1CCOC1	2079010712	SNAWYUNABZFKCM-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
OB(O)c1cscc1CN1CCOCCO1	2211136637	VFVOWXXLBLNEAR-UHFFFAOYSA-N	243.093	-0.808	50	10	BBGE	
Cc1c(C(=O)NNCCO)cnn1C1CC1	2211664738	PFAOVLYNJNQWAA-UHFFFAOYSA-N	224.264	-0.247	50	10	BBGE	
CO[C@H](C)COc1nccc(B(O)O)c1F	2212605830	KRZZANSOUZWOKN-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
Cc1cnc(NC2CC(F)C2)cc1B(O)O	2212606258	QZEQYJAKMGFKMP-UHFFFAOYSA-N	224.044	-0.018	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2C[C@@H]2C1=O	2215709814	MUJOGTLACKDDFI-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773551	BPBBIPMPEGDDJD-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
Cc1cnc(NC[C@@H](N)C2CC2)cc1B(O)O	2217182482	BELZUMLYZHPUCN-SNVBAGLBSA-N	235.096	-0.781	50	10	BBGE	
Cc1cnc(O[C@]2(C)CCOC2)cc1B(O)O	2217192373	OBBALPPNLZRHOG-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
CCCOCCCN=c1cc(B(O)O)cc[nH]1	2217194570	BDBXUJAOLJJGKO-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)Nc1ncccc1B(O)O	2217203577	XHXCMHRNZFYHSG-GZMMTYOYSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1=O	2220062287	GQCPRNJMSVEOEC-MRVPVSSYSA-N	247.059	-0.739	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1Cc1cccc(B(O)O)c1	2220062674	MTRGZPCGDMQDMA-GXFFZTMASA-N	249.119	-0.288	50	10	BBGE	
Cc1ncnc(N(C)CC[C@H]2C[C@@H]2C)c1B(O)O	2220937373	OVUYVYWMGJESOM-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
CC1(C)NCC[C@@H]1CNc1cc(B(O)O)ccn1	2223641082	PPYXNYUGPUCODU-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(NCc2ccnnc2)cc1B(O)O	2223651125	AMPLRVACTLFOJV-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]3CC[C@H]2O3)[nH]c1	2223675155	UOFZBMGYERJIQH-JMJZKYOTSA-N	248.091	-0.837	50	10	BBGE	
CCCN(O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2241480652	MTHYPTMSSRDCDP-KNVOCYPGSA-N	201.031	-0.133	50	10	BBGE	
O=C(NCC1(Cl)CC1)[C@@H]1C[C@@H]1B(O)O	2241495685	LOROQKFOTYRGIS-RITPCOANSA-N	217.461	-0.263	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1nscc1B(O)O	2243347307	LEPQFGYDXMOFFU-KCQQBQQISA-N	240.093	-0.793	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2243348904	BSAMCOYYPXHMCU-ZETCQYMHSA-N	222.053	-0.659	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@H]1C1CC1	2243356940	OXKCIJIKFKCNSK-UWVGGRQHSA-N	221.065	-0.351	50	10	BBGE	
CN(C)NC(=O)c1ccc(B(O)O)c(Cl)c1	2243367662	WORRDECGGOAOGS-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)C2)oc1B(O)O	2243378163	NTQJIQOXIBWCAZ-UHFFFAOYSA-N	223.037	-0.640	50	10	BBGE	
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H]1B(O)O	2243391390	KDVGRKUXSAZBFX-HRDYMLBCSA-N	224.069	-0.143	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243400992	KQJSDMNOSSCTJN-RKDXNWHRSA-N	223.081	-0.200	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)OC	2243411241	QLKUPGDXVUEICC-LURJTMIESA-N	229.041	-0.939	50	10	BBGE	
CCCOC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243426086	DRXCPXRFUMLLPC-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](Oc1ncc(F)cc1B(O)O)C(F)F	2244242124	QFRRMQLKTONIGX-BYPYZUCNSA-N	234.970	-0.067	50	10	BBGE	
NC(=S)NNC(=O)c1nnn2c1CCCC2	2245231739	MJMZUYGTJKGPIC-UHFFFAOYSA-N	240.292	-0.908	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@@H]2C[C@H]2C)n1	2247234094	XFWIIABGAQYHMZ-SFYZADRCSA-N	237.064	-0.195	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H](O)C1)C1(B(O)O)CCC1	2247734101	FLUBMQVYOIYNGR-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCC[C@H]2O1	2247740352	JGQAUZWRPLZVEP-KXUCPTDWSA-N	237.064	-0.924	50	10	BBGE	
CC1(C)CCC[C@@]1(CO)NC(=O)C#CB(O)O	2247742816	URNDHGYFLJOCOC-NSHDSACASA-N	239.080	-0.941	50	10	BBGE	
CO[C@@H]1CCC[C@@H](N(C)C(=O)C#CB(O)O)C1	2247746531	AINJMJOYHWUITR-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247748154	YVJBTAYLFLWGGH-SNVBAGLBSA-N	236.080	-0.435	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ncccc2B(O)O)[C@H]1C	2247769417	IHRTZMCSEMELRC-BQBZGAKWSA-N	234.064	-0.854	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247782634	WHANFTUUFHYVKZ-SSDOTTSWSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)C1)C1CC(B(O)O)C1	2247799199	ARBMBNJQEHLQBR-WOOKNIGNSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@H](CO)C1CCC1)[C@H]1C[C@@H]1B(O)O	2247800704	RSASQGHJHABFND-UTLUCORTSA-N	241.096	-0.626	50	10	BBGE	
C[C@H](CO)CC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247800961	VLLWDEJXLSJEIM-FXBDTBDDSA-N	241.096	-0.674	50	10	BBGE	
CNCCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247855549	ULDCBIHIVBPTIF-IVZWLZJFSA-N	242.128	-0.304	50	10	BBGE	
CC(C)CN(C(=O)C1(B(O)O)CC1)C1COC1	2247869909	ALJIDQRQWVRJKM-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1c[nH]nc1B(O)O	2247893825	YZAGCNCDRAWIBG-KNVOCYPGSA-N	237.068	-0.898	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248574749	CGFRNVVMLGRXAE-RITPCOANSA-N	247.031	-0.689	50	10	BBGE	
COC[C@]1(C)C=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248694493	VJEPTSPXZOJTSB-NGZCFLSTSA-N	239.080	-0.347	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1cocc1B(O)O	2249407838	ODDNWBJLJJYZQW-OIBJUYFYSA-N	237.064	-0.170	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)co1	2249428246	OXRIUWNEQBSECK-SECBINFHSA-N	235.048	-0.509	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2249613940	OHSPKHITZTVVNV-AATLWQCWSA-N	239.319	-0.685	50	10	BBGE	
CC[C@H](NC(=O)c1ccncc1B(O)O)C1CC1	2255455384	YRLVPLFRVJONEF-NSHDSACASA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ccc(B(O)O)cn2)C1	2255521703	ZJAFVJXDAQVAJG-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1n[nH]cc1B(O)O	2255550607	YJZJNGUHHXTMGG-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)cn1C1CC1)C1CC1	2255693022	XTLPXAUWVFTLNW-UHFFFAOYSA-N	248.091	-0.263	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@H]2CC[C@H]21	2255717397	JTKJFWHHECRRSF-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1C[C@H]2C[C@@H]2C1	2255724973	SJUQVXKWGOMDPY-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
CC#CCC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2256672125	BXSSGRUYPJIMDM-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258124470	DCWUGPRHTVTLOA-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
Cc1cc(C(=O)Nc2ncco2)ccc1B(O)O	2263401397	JWOKRHJXIWGQLB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2COCC[C@H]21	2298165544	IRSFCFWPKGDDPH-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@H]1B(O)O	2298369385	SJMDQJHFLPVMBY-IIZWTSTJSA-N	239.080	-0.875	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1C	2298371102	ZXSXGUSNVOJIKG-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2298376323	RSRRCLFAGPYNAF-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnn3c2CCC3)C1	2303160977	XAOIJDQMTAJWBJ-JTQLQIEISA-N	235.096	-0.122	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2303967797	RPYWTQKYALHNSF-KYXWUPHJSA-N	239.080	-0.443	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)nc1	2312612468	ZIGXSSXQJZUDIB-JWKFFPHGSA-N	245.091	-0.387	50	10	BBGE	
CCc1cnn(-c2ccc(C=O)c(B(O)O)c2)c1	2317310061	YSRDYGRBRYKDIT-UHFFFAOYSA-N	244.059	-0.073	50	10	BBGE	
C=CC[C@@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2317310923	IAJDPCPKGLJZLI-NSHDSACASA-N	249.075	-0.472	50	10	BBGE	
NNC(=O)Cn1nnc(-c2cccs2)n1	1047536	NAWQBGOOCZXFDD-UHFFFAOYSA-N	224.249	-0.609	50	10	BBGE	
CCCCC(=O)N/N=C(\N)c1nnc(N)o1	82293122	AXEPVALBTOLNTB-UHFFFAOYSA-N	226.240	-0.422	50	10	BBGE	
CCCN1CCN(C[C@@H](C)C(=O)NN)CC1	82465992	IYSIXVRPVGZVID-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)[C@H](C)C1	82485315	HXPPVNLAOIMRJE-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CCN(CC(C)(C)O)[C@@H](C)C(=O)NN	86275188	IIYCDAIDVIBJFT-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)CCCS1	87797494	ZHHSXIVXPUROQI-QMMMGPOBSA-N	217.294	-0.622	50	10	BBGE	
O=C(CBr)N1CCO[C@@H](CO)C1	88091687	CEQHAYLQUKHRPN-ZCFIWIBFSA-N	238.081	-0.399	50	10	BBGE	
NNC(=O)c1cn(CCOC2CCCC2)nn1	110552614	MGBKTYZORJMNJP-UHFFFAOYSA-N	239.279	-0.159	50	10	BBGE	
O=C(O)CCNNC(=O)c1ccncc1	147270603	BJKBZJCZCSUGLY-UHFFFAOYSA-N	209.205	-0.209	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@H](O)[C@H]2C1	156623869	OXDIWAKRQFSQNJ-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CCn1cc(COc2cncc(B(O)O)c2)cn1	203524154	SVKBWWGDVJOYEA-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
Cc1nnc(-c2ccc(F)c(B(O)O)c2)o1	207546135	OQYBYQVPVCCWSL-UHFFFAOYSA-N	221.984	-0.136	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CC(C)(C)O1	226450756	FYKIHAGGSGCVTM-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CN)SC[C@@H]1CC[C@@H](C(=O)NN)O1	228867816	HUPPUCCAYIUIGL-FXQIFTODSA-N	233.337	-0.396	50	10	BBGE	
O=S(=O)(CCCl)Nc1nccnn1	232301649	ZQUCOCDHEAGNRE-UHFFFAOYSA-N	222.657	-0.148	50	10	BBGE	
O=CC(=O)[C@@H](Br)[C@H](O)C=O	238691738	IBTSLGSTYHJGDR-WUJLRWPWSA-N	208.995	-0.922	50	10	BBGE	
O=S1(=O)NCCCN1CCBr	306299932	FZPHZDUXKIOWGR-UHFFFAOYSA-N	243.126	-0.079	50	10	BBGE	
NC(=O)N/N=C1\CCO[C@@H](C(=O)O)C1	306344881	NPCSDLAAQDPUBG-PQLPPJHNSA-N	201.182	-0.726	50	10	BBGE	
CN1C[C@H](Nc2nnc(CCl)o2)C(=O)N1	306686800	KQKUXOLABHLQGW-BYPYZUCNSA-N	231.643	-0.435	50	10	BBGE	
O=C1C[C@@H](CNC(=O)NC(=O)CCl)CN1	307234223	RHXPSELZWDWJNJ-RXMQYKEDSA-N	233.655	-0.813	50	10	BBGE	
OB(O)c1cc(O)c(O)c2sccc12	307288198	BEFCDMUDOUBTCE-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@]1(O)CC[C@@H](O)CC1=NNC(N)=O	308364113	FWJCJMHZRVAVKZ-XRGYYRRGSA-N	201.226	-0.694	50	10	BBGE	
CCCOc1c(B(O)O)cccc1C(=O)O	309148642	NDBZQVNORSERNH-UHFFFAOYSA-N	224.021	-0.147	50	10	BBGE	
CCN([C@H]1CCOC1)[C@H](C)C(=O)NN	379506520	QQTMINSNIHCNJV-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@@H](C)CCC(=O)NN)C1	383728254	WKNGUEVPZVRTCG-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NC(=O)NN=C(CCCC(=O)O)C(=O)O	383968901	MECXSGAYQLHRMS-UHFFFAOYSA-N	217.181	-0.650	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@](O)(C(=O)O)C1	386600496	ZAZVCXIPMLHKSE-SECBINFHSA-N	231.252	-0.916	50	10	BBGE	
CCOc1cnn(C[C@H](C)C(=O)NN)c1	389379601	PSRPSDUURLCTHM-ZETCQYMHSA-N	212.253	-0.092	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1ncnn1C	389379758	JLJXVGDRERWGPS-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
CN1CCN([C@@H](C(=O)NN)C(C)(C)C)CC1=O	395618145	SHFQAOYSFYCGCE-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCN2CC[C@H]1C2	395800023	FGISTBIQWOVAFG-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
CC(C)O[C@H]1CCCN(CC(=O)NN)C1	404574033	FCXVWSWDILEAIZ-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COCC(F)F	408717362	YVUOYSUEAGCPJD-UHFFFAOYSA-N	234.206	-0.195	50	10	BBGE	
CCCC(=S)O[C@H]1C(=O)OC(=O)[C@H]1O	585664073	RASSKBLHKOKYLO-NTSWFWBYSA-N	218.230	-0.057	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=S)n1C	606281506	LJDTYYLYHSBYHL-UHFFFAOYSA-N	212.278	-0.188	50	10	BBGE	
CN1CCC(=O)N(CC(C)(C)C(=O)NN)C1=O	688948873	USHHUFKBHGAHHF-UHFFFAOYSA-N	242.279	-0.713	50	10	BBGE	
C[C@@H]1CCN(S(=O)(=O)N(C)C)C[C@H]1N=C=O	693473641	FVHKCWFVXXXZAL-RKDXNWHRSA-N	247.320	-0.161	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(C#N)C1)C(=O)NN	693997557	MUXRUXMCTXUYSD-WCBMZHEXSA-N	210.281	-0.152	50	10	BBGE	
COc1cncc(CN(C)CCC(=O)NN)c1	700118365	OPPBAPVKYLDQKV-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
NNC(=O)CN1CC[C@H](c2nccs2)C1	710354440	CURDTMBHBCYCHM-ZETCQYMHSA-N	226.305	-0.078	50	10	BBGE	
COCCC(=O)N1CCc2c(B(O)O)cccc21	712169928	MOFMJZDNHNSFOJ-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CS(=O)(=O)Cc1ccc(B(O)O)cc1F	716783342	AYSSKLZSADUFKX-UHFFFAOYSA-N	232.041	-0.950	50	10	BBGE	
CC#CC[C@@H](CO)NS(=O)(=O)CCCl	717769544	HYGKLNCFIXYQDZ-QMMMGPOBSA-N	239.724	-0.081	50	10	BBGE	
O=C(NN=C1CCS(=O)(=O)C1)[C@H]1CCCO1	814240452	PGEZSAZBHIWPAM-MRVPVSSYSA-N	246.288	-0.544	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1C[C@@H](C)CO1	895512221	JIKKXKKTMRYZOL-PHDIDXHHSA-N	202.210	-0.201	50	10	BBGE	
CN1C(=O)N[C@@H]2CNC[C@H](Br)[C@H]21	952958906	NMDUHXFKWHGWHV-KVQBGUIXSA-N	234.097	-0.255	50	10	BBGE	
C[S@](=O)CCN1C(=O)C[C@H](Cl)NC1=O	953054889	AYPMBWRCXDMLRB-YYNRFHATSA-N	238.696	-0.128	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccn2nnnc2c1	1543985638	MCSRCGBHQACREN-UHFFFAOYSA-N	249.234	-0.912	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1ncccn1	1588244885	PFJGOHFPIQGHMO-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	1641424789	YLWVTTTXVDASNU-BWZBUEFSSA-N	212.249	-0.438	50	10	BBGE	
CC(C)(C)OC(=O)N=c1cc(C(=O)NN)[nH][nH]1	1880024713	VPILDZJCXHFKST-UHFFFAOYSA-N	241.251	-0.218	50	10	BBGE	
O=C(CCl)N1CC2(CC[C@H](CO)O2)C1	1887147710	YSJDEAKYDBOSIG-SSDOTTSWSA-N	219.668	-0.023	50	10	BBGE	
C[C@@H](CSC[C@H]1CCNC1)C(=O)NN	1890943485	XVKJPQALJDPRQJ-YUMQZZPRSA-N	217.338	-0.045	50	10	BBGE	
NC1(CNC(=O)/C=C/C(=O)Cl)COC1	1893505145	RDRKSCDDLCCQGV-OWOJBTEDSA-N	218.640	-0.848	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1895510494	MEDAELMAFINGPA-DJLDLDEBSA-N	233.287	-0.737	50	10	BBGE	
CN(NC(=O)CC[C@H]1C[C@@H](N)C1)S(C)(=O)=O	1901378091	WRQHFAYQFFGBHI-OCAPTIKFSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](CN)N(C)Cc1cccc(B(O)O)c1	1901473636	BJZRAXVQXWLKGH-VIFPVBQESA-N	222.097	-0.855	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@H]1CO	1901765899	WTGLTBQUVIXNNN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	1902515696	KEIYZUIMBNFXLP-RKDXNWHRSA-N	228.101	-0.552	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@@H](C)[C@@H](C)C(=O)NN	1907703229	BDYFXRGNTNYBRK-XFWSIPNHSA-N	245.323	-0.654	50	10	BBGE	
CN(CCC(=O)NN)S(=O)(=O)C(C)(C)C	1913444506	VHOKYQRSDRJNLK-UHFFFAOYSA-N	237.325	-0.574	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)S(=O)(=O)C1CC1	1913794526	CBYPGIJCRKAPRW-HTRCEHHLSA-N	247.320	-0.964	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1nc(C(=O)NN)co1	1914257782	UKSUFONNLFJENC-HTRCEHHLSA-N	240.263	-0.767	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(O)CCC1	1914572036	RUTFLGHTNRDVBV-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)C1COC1	1915660919	SEPXMPDVDWCYSS-APPZFPTMSA-N	213.281	-0.667	50	10	BBGE	
C#CC1(O)CN(C(=O)NC(=O)[C@H](C)Cl)C1	1917121611	KVCKSERKSGFUQA-LURJTMIESA-N	230.651	-0.470	50	10	BBGE	
Cc1nc(N2CC(=O)OC(=O)C2)nn1C	1929100942	XNPICHNIESQEKP-UHFFFAOYSA-N	210.193	-0.987	50	10	BBGE	
COC(=O)[C@@H](O)CN(N)C(=O)OC(C)(C)C	1930120351	JAYVRSVZRNRHJR-LURJTMIESA-N	234.252	-0.369	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CCO)C1	1932108224	MJCJRTOVKQIWSS-MRVPVSSYSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1COC[C@@H]1O	1933390817	ZHNGIQOBTZOYSJ-XVMARJQXSA-N	207.657	-0.263	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CCCC(=O)NN	1934981554	REEYYWWUBDYISX-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CN1C[C@@H](O)[C@H](N2CC=C(C#N)CC2)C1	1935163430	TVLPJZJVKWULRZ-GHMZBOCLSA-N	207.277	-0.183	50	10	BBGE	
C[C@@]12CC[C@@H](CN1CCOCC(=O)NN)C2	1936728354	CPSHUZNMJLHDHG-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1F	1937156669	ATHQLOIAJJBQMT-JQCXWYLXSA-N	231.271	-0.719	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCCO[C@H]1CCOC1	1940244647	GJEYVARRJABCTP-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCN2CCC1CC2	1941086866	KHKVXTQQJFKJDH-ONGXEEELSA-N	238.335	-0.608	50	10	BBGE	
C[C@@H]1N(CCOCC(=O)NN)CCOC1(C)C	1941773403	XRDFVCJOFJRZMW-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1C[C@@H]1C1CC1	1941780519	QFYCHLUBZGDBHM-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
O=C(Cc1ccccc1[N+](=O)[O-])NNCCO	1944215544	JMYBPGFIDRQQBC-UHFFFAOYSA-N	239.231	-0.250	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H](O)[C@H](F)C2)c1	1944306870	FINPXGDCBIYAIM-BDAKNGLRSA-N	243.238	-0.602	50	10	BBGE	
CN(C)CC1(CNC(=O)NN)CCC1	1956054345	XWYIKODVPHTNAS-UHFFFAOYSA-N	200.286	-0.109	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)CCO1	1956251436	FHOITKVHFKGWRR-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)[C@H]2CC[C@H]2N1	1956629973	STYUSLBHLSNPJC-RNJXMRFFSA-N	218.684	-0.451	50	10	BBGE	
CON(CCC(=O)NN)C1CCOCC1	1960108317	KEJXQEWMIYVKHX-UHFFFAOYSA-N	217.269	-0.591	50	10	BBGE	
CN(CC(=O)NN)[C@H]1COCCC1(F)F	1960917483	AIUUZOQYGGJIEH-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
CC(C)(C)COc1ncncc1B(O)O	1961696184	NNYCBUPMBRWVLQ-UHFFFAOYSA-N	210.042	-0.419	50	10	BBGE	
COC1(CC(=O)N2CC[C@H](B(O)O)C2)CC1	1967589184	XJOWLFBZBAOKIG-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H](CN(C)C1CCC(O)CC1)C(=O)NN	1976628604	FBHCEOISWHHJNB-IDKOKCKLSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1979479693	JENCGBRARXGJTR-JDNHERCYSA-N	247.364	-0.545	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCOC2)CC1	1980794953	FNNRQAFWNVQLEC-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCC(CC)COc1ncncc1B(O)O	1981421824	FXQZXQWDJAIXGA-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H]1C	1981423705	ICROLQLPHGWKMX-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
CCCN(CC)c1ncc(B(O)O)c(C)n1	1981447230	KRDHMZYGJNKLJZ-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
CN(C)CCOCc1ccoc1C(=O)NN	1982818783	KPINJRIUWGCTOT-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
CN(CC1(C(F)(F)F)CC1)C(=O)C(=O)NN	1984423888	ORCVAAHXCYINEA-UHFFFAOYSA-N	239.197	-0.223	50	10	BBGE	
NNC(=O)CCCCN1CCC=C[C@H]1CO	1985650022	BJDRREOYXTYDQR-JTQLQIEISA-N	227.308	-0.231	50	10	BBGE	
N=c1nc(CCl)nc(N2C[C@H]3COC[C@H]32)[nH]1	1987059902	SXWNAIJGENGOPJ-NTSWFWBYSA-N	241.682	-0.142	50	10	BBGE	
C[C@H](CN1CCC[C@H]1C1(O)CC1)C(=O)NN	1987342897	ZWWPRPPXLZYGKW-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1OC2(Cn3cc(B(O)O)cn3)CC1C2	1988151170	WGDVIWBPLNGUIH-ZNFPMYQNSA-N	222.053	-0.870	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H]1[C@@H](C)O	1990038461	GQRDQDNKWMRBEL-QEYWKRMJSA-N	229.324	-0.154	50	10	BBGE	
C=C(CO[C@H]1C[C@@H](n2cnnc2)C1)B(O)O	1992153639	QOEGFTSEOZNZQQ-DTORHVGOSA-N	223.041	-0.434	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1c1ncon1	1997751847	FXZDCUQYTGFUHY-QMMMGPOBSA-N	239.279	-0.023	50	10	BBGE	
COCC[C@H](COC)N(C)[C@H](C)CC(=O)NN	2001426667	LLRHRKUQSULUIX-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CC(C)OCCOc1ncc(B(O)O)cc1F	2004929048	IGUURLIJDMKTDQ-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@H]1F	2006794471	NBNKWEHZWMODSL-RKDXNWHRSA-N	239.059	-0.517	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1COC2CC1C2	2011812037	DDAVQMBENFWJFD-RTBKNWGFSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)CCCN1CCCC2(CC(O)C2)C1	2013328767	LZAYMDKLIFAOGK-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C(C(F)F)[C@H]2C1	2017285849	KWZAVTXHVDSGAM-BQBZGAKWSA-N	249.261	-0.564	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@H]1C	2019206912	ARDRBOPOKVWBBC-SCZZXKLOSA-N	243.307	-0.632	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1C(F)(F)C2	2019219589	OKWFXYZHTNGZSF-YUMQZZPRSA-N	247.245	-0.117	50	10	BBGE	
Cc1cc(O)ccc1C(=O)NCC=CB(O)O	2020057420	BRWTWINMUHACKC-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
Cc1ncnc(O[C@H]2CCC[C@H]2F)c1B(O)O	2020493618	LISFLFOYCLZFMZ-SFYZADRCSA-N	240.043	-0.266	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@H]3CCC[C@@H]2C3)n1	2021408960	KSIQNTXAQBIFLL-DTORHVGOSA-N	233.080	-0.404	50	10	BBGE	
C[C@@H]1O[C@@]2(C(=O)NCC#CB(O)O)CC[C@H]1C2	2021897317	SEBFAPOASGCSQA-QXEWZRGKSA-N	237.064	-0.924	50	10	BBGE	
CCC[C@H](OCC1COCCOC1)C(=O)NN	2024301670	YYYOCZBAMORQGC-JTQLQIEISA-N	246.307	-0.175	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ccc(B(O)O)cn3)C[C@@H]12	2042944428	NHANCXVKJCJMGG-FDOIEUKUSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H]1CN(C)CCN(c2ncccc2B(O)O)C1	2052498704	IQNDQXKRDYNKAC-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
Cc1nc(N(C)c2cccnc2)ncc1B(O)O	2052555740	IILOSJQQQXDQSW-UHFFFAOYSA-N	244.063	-0.372	50	10	BBGE	
COc1cc(B(O)O)c(C)c([N+](=O)[O-])c1	2060381088	ZPHQBSXZEMLBSV-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
OB(O)c1cnn(Cc2ccn(C3CCC3)n2)c1	2066683769	UBLDEKGCDLOCIL-UHFFFAOYSA-N	246.079	-0.467	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC[C@@H]3C[C@H]23)c1B(O)O	2071007687	BTGVVZPNQPSRQO-UTLUCORTSA-N	248.091	-0.110	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2	2079012425	UAYMWAJLBNSJEY-MFKMUULPSA-N	245.087	-0.152	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCN1C)C(=O)NN	2211860475	HGNBXHGICPCEQX-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CC1(C)CN(c2nccc(B(O)O)c2F)C1	2212605897	LOBXOUUZZWHBAY-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cnc([N+](=O)[O-])n1	2215770561	CMBRYRKDSWDLFB-RITPCOANSA-N	240.223	-0.798	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](OC(F)F)C1	2216785732	BCSWGMIEJPGFGY-BIIVOSGPSA-N	249.261	-0.074	50	10	BBGE	
C[C@](CO)(Nc1ncccc1B(O)O)C(F)F	2217171797	FJLZIGACFQUDNV-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
C#C[C@H]1CCCCN1c1ncccc1B(O)O	2217177647	LNJOCZVNIDBMBU-JTQLQIEISA-N	230.076	-0.247	50	10	BBGE	
Cn1cnc(CNc2ncccc2B(O)O)c1	2217177942	PHAGATGHIUGIDB-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
CCN(C[C@@H](C)N)c1nccc(B(O)O)c1F	2217181171	NSIJIIVSEDDVGT-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1nccc(B(O)O)c1F	2217184916	SEHDUDBFWUUMRR-RNFRBKRXSA-N	242.059	-0.671	50	10	BBGE	
CC(C)C[C@@H](N)COc1cc(B(O)O)ccn1	2217186972	REMOMVJGMGSVHJ-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
CCC[C@H](COC)Nc1cc(B(O)O)ccn1	2217194528	AQQAUJCCMWEOQE-SNVBAGLBSA-N	238.096	-0.012	50	10	BBGE	
OB(O)c1ccc(NCc2cccnn2)nc1	2217196459	FWXYJSWYAWUMOI-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)C(F)(F)F	2217204311	IAWNGHGRPXSEQL-ZCFIWIBFSA-N	249.001	-0.091	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1C=CCCC1	2220139545	BHTRDYHIRLOHJT-QMMMGPOBSA-N	247.063	-0.549	50	10	BBGE	
C#CCN(CCOC)c1cc(B(O)O)c(C)cn1	2223651630	DGJFPXGOHFYGAQ-UHFFFAOYSA-N	248.091	-0.844	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(c1ncccc1B(O)O)C2	2223671369	KRYXMTIMEXIQBC-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1cnc(=NCCCCCC2CC2)[nH]c1	2223672290	SXCCJFROJIXNAY-UHFFFAOYSA-N	249.123	-0.039	50	10	BBGE	
CC(C)[C@H]1CNCCN1c1ccc(B(O)O)cn1	2223672713	BWOLHWRNNYGJCJ-LLVKDONJSA-N	249.123	-0.804	50	10	BBGE	
N#C[C@@H]1CCCN(c2ncccc2B(O)O)CC1	2223677072	JPWBVPNQMSOCGU-SNVBAGLBSA-N	245.091	-0.109	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccccn1	2243356104	BJSNVEADFFYKAR-MRVPVSSYSA-N	218.021	-0.726	50	10	BBGE	
O=C(NCCc1cn[nH]c1)C1(B(O)O)CC1	2243365863	UBDYJVBQMIBRCV-UHFFFAOYSA-N	223.041	-0.925	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243382415	NZFVRKOVOYDLES-OPRDCNLKSA-N	221.065	-0.279	50	10	BBGE	
Cc1nn(C)cc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243390923	DBPPOFFXDCXFRU-BQBZGAKWSA-N	223.041	-0.470	50	10	BBGE	
Cc1cn(C)c(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2243404855	VOYNWQPVNRJBMT-BQBZGAKWSA-N	223.041	-0.470	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1O	2243409521	JPCAMIRULFTWSA-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CC(C)NC(=O)c1c(F)cccc1B(O)O	2243410201	WYRVQQPGJPNCDQ-UHFFFAOYSA-N	225.028	-0.356	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)[S@@](C)=O	2243413420	FYHFPRNZWNYJJV-QVBNJRIBSA-N	247.125	-0.877	50	10	BBGE	
CCCN(CC)C(=O)c1sncc1B(O)O	2243415350	SMRMPZVSPYRRLD-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)[C@@H]1C[C@@H]1B(O)O	2243415581	YAGVJONOVMXWBN-HLTSFMKQSA-N	227.069	-0.608	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(CCCO)C1	2243420225	OTWWQIKZTNJMRD-IUCAKERBSA-N	227.069	-0.920	50	10	BBGE	
CC1(F)CN(C(=O)c2cocc2B(O)O)C1	2244214285	QCVJQOIIAIJQCJ-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2245134801	XXKRAZIHEAJTJG-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
CC[C@@H](CN)Oc1cc(B(O)O)c(Cl)cn1	2245913169	NFFQCGMMWGDORZ-LURJTMIESA-N	244.487	-0.469	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NOC(C)C	2247761120	RISVJPOWSPNQJM-UHFFFAOYSA-N	240.068	-0.742	50	10	BBGE	
O=C(NC[C@]1(F)C[C@H](CO)C1)[C@H]1C[C@H]1B(O)O	2247793731	ZNXBQBQFQZIQKR-OORONAJNSA-N	245.059	-0.924	50	10	BBGE	
CN1CCC(N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247807672	ROCIQKZTZFXSCB-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C(=O)[C@H]1C	2247809482	PLLOPCGCBMFPBK-BZNPZCIMSA-N	239.080	-0.120	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccn(C)n1	2247810180	VLYROKZKMHGUGK-CSMHCCOUSA-N	237.068	-0.540	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1CC1(C)C	2247851440	GHGVMVMLVLAWQB-MRVPVSSYSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1CC[C@H](O)[C@@H](F)C1)C1(B(O)O)CCC1	2247854398	CBGRXOUPSQJLBT-YUMQZZPRSA-N	245.059	-0.685	50	10	BBGE	
CCC(CC)NC(=O)c1ncncc1B(O)O	2247855287	PQKMQAMKPGIAGH-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
C#CCN(C)C(=O)c1cccc(F)c1B(O)O	2247870236	GRWUTUJJSAKRPE-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247874858	QFIFURMBMYLUPH-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC1(C(=O)O)CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248569607	RHTIRIUGDWUWEF-HTYJUZMNSA-N	241.052	-0.781	50	10	BBGE	
C[C@]1(C(=O)O)C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586706	GATFIFTZJCJTKX-BRDIYROLSA-N	239.036	-0.909	50	10	BBGE	
CCCNC(=O)[C@H](C)N1CCC(B(O)O)CC1	2249358551	RYNJBQRHBHLFOK-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
C=CCN(CC1(C(=O)NN)CCOCC1)OC	2249504485	GILQTVFUFRWXSG-UHFFFAOYSA-N	243.307	-0.178	50	10	BBGE	
Nc1c(F)cccc1C(=O)NCC#CB(O)O	2249914656	ZIAGGEBTIIQWBR-UHFFFAOYSA-N	236.011	-0.847	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccncc1B(O)O	2255456501	OYDMPINGRNOOAF-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCCCC12CC2	2255552259	IPVKQICPCOFHOX-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
Cc1ccnc(C(=O)N2CCC2(C)C)c1B(O)O	2255572692	AOVOKFQZZOTVOA-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1c[nH]nc1B(O)O	2255583779	RAOUYALKJUZGMW-APPZFPTMSA-N	249.079	-0.992	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13	2255670503	YTPWISHFRYKJCG-QCMRWSPLSA-N	249.075	-0.924	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1ccncc1B(O)O	2255725366	WHLWWSMIIIZWNF-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(B(O)O)c1C	2255725437	XLMVIICXRSWDMU-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1ccncc1B(O)O	2255728768	LIGVLYYFUCNFGX-JTQLQIEISA-N	246.075	-0.566	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)C1CC(B(O)O)C1	2255793050	RGMIGBBSBCTNKH-UHFFFAOYSA-N	245.047	-0.433	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2cc(B(O)O)co2)C1	2258155432	TZXJXGVKPVJCGA-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1F	2298165729	UAMZIQFTAMQKEF-JXUBOQSCSA-N	245.298	-0.329	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)[C@@H]1C[C@@H]1B(O)O	2298375756	YJLDWBCHSKIPMW-LOLPMWEVSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1CN	2298376014	BJIAPBASIRAKJI-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CCO)[C@@H]1C[C@@H]1B(O)O	2298376232	NTSOSSMCKQYQFW-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
O=C1[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1B(O)O	2298377155	GNJQZCNPOKTKAK-KDXUFGMBSA-N	237.064	-0.223	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	2302024130	TXQYRZWJMKFJDO-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)NC(=O)O[C@@H]1CN1CC[C@H](B(O)O)C1	2303096073	ATWUMKDEAUZGTC-JGVFFNPUSA-N	242.084	-0.578	50	10	BBGE	
CC(C)NC(=O)[C@H](C)N1CC[C@](C)(B(O)O)C1	2303098493	YFTFCRBRPLJNSV-ONGXEEELSA-N	242.128	-0.162	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C#N)N2CC[C@H]1C2	2303292647	RPLLUHVRZBQSAA-UTLUCORTSA-N	237.307	-0.963	50	10	BBGE	
OC[C@@H]1[C@@H]2CC[C@@H](C2)N1c1cc(B(O)O)ccn1	2312613722	NWDWQSAYJZWDIU-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308263	JCDBCMNWTBSWDQ-KOLSJAJHSA-N	249.075	-0.640	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3C=C[C@@H]2C3)cc1B(O)O	2317352358	YDSWRBRZHUGQLT-GXSJLCMTSA-N	243.071	-0.056	50	10	BBGE	
NCCC(=O)NNC(=O)c1ccc(F)cc1	49819905	RFZSNLMBYLAJTM-UHFFFAOYSA-N	225.223	-0.065	50	10	BBGE	
NNC(=O)CCCCCN1CCOCC1	70596826	IONQCWLPEDJNMV-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CC[C@@H]1N	122869942	BFMAMQYSWRCJPH-ZJUUUORDSA-N	242.323	-0.787	50	10	BBGE	
CS(=O)(=O)CC(=O)NC1(CCl)CC1	126797282	GWYBRFOAQCOLLI-UHFFFAOYSA-N	225.697	-0.081	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(=O)NC(=O)C1	132549553	BVFVUOZFAHLLPX-RXMQYKEDSA-N	201.613	-0.924	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H]1CCCN1)B(O)O	170068302	OFTDJSJGSZPHQD-DTWKUNHWSA-N	228.101	-0.575	50	10	BBGE	
COCC(=O)NNC(=O)C(F)(F)F	170767877	DPMUZQAZUAGSFW-UHFFFAOYSA-N	200.116	-0.658	50	10	BBGE	
COc1nc2c(cc1B(O)O)OC[C@H]2C(C)C	201561460	OXOIYXZTVSGVGU-ZETCQYMHSA-N	237.064	-0.098	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@@H](N)C1	203226858	YMLKEURYHZFGFY-SECBINFHSA-N	238.291	-0.275	50	10	BBGE	
C[C@@H](O)CCNS(=O)(=O)CCCl	232300141	QAUFLKCJBJCCEO-ZCFIWIBFSA-N	215.702	-0.085	50	10	BBGE	
O=C1NC(=O)C(=O)[C@H](Br)N1	238021488	GXDZAMIMLDWQSY-UWTATZPHSA-N	206.983	-0.884	50	10	BBGE	
CCOC(=N)Cc1ccc(B(O)O)cc1	238277712	HZLHACWDSVXNQM-UHFFFAOYSA-N	207.038	-0.077	50	10	BBGE	
CC(=O)NCCNC(=S)NCCCl	243365010	MCOFOWQCONXZLT-UHFFFAOYSA-N	223.729	-0.175	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN2CCC[C@H]2C1	250688609	HNXDCZMGHAVPRE-WDEREUQCSA-N	240.351	-0.219	50	10	BBGE	
CO[C@@H]1CN(C[C@H](C)C(=O)NN)CC[C@H]1C	299916426	SJKFQJTXJYPOLN-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CC(=O)NC1CN(C[C@H](Cl)C#N)C1	306843982	GZAOBSNJGULVPK-SSDOTTSWSA-N	201.657	-0.062	50	10	BBGE	
O=C(O)Cn1nnnc1CCCCl	308082530	OXTBQOYHCFHVGS-UHFFFAOYSA-N	204.617	-0.071	50	10	BBGE	
O=S1(=O)NCCN1C/C=C\CCl	308372819	JTWYFZIRSWEQKU-UPHRSURJSA-N	210.686	-0.069	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(CN)C1	309044619	MEGQMMGGKQLOBS-WPRPVWTQSA-N	214.313	-0.574	50	10	BBGE	
CNC(=O)C(C)(C)NS(=O)(=O)CCCl	312817488	DWGLEAVTLNQSPQ-UHFFFAOYSA-N	242.728	-0.331	50	10	BBGE	
C[C@H]1CN(C(=O)NC(=O)CCCl)CC(=O)N1	386872301	DOADBUOCQPLQID-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(B(O)O)ccc1C=O	396063661	YRKDACYFZQSOTQ-ZCFIWIBFSA-N	240.451	-0.011	50	10	BBGE	
O=Cc1cc(B(O)O)ccc1CC(=O)CCl	396066073	BUZRPESNDQESBT-UHFFFAOYSA-N	240.451	-0.471	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN([C@H](C)CC(=O)NN)C1	398640453	AMQWLVQBGZTHBX-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CCNC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405083425	NTBZUJUFKAEVRS-QMMMGPOBSA-N	236.080	-0.254	50	10	BBGE	
COC(=O)Nc1ccc(C)cc1B(O)O	405156506	WUCRIUIQDAEWIV-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
CN(C)C[C@H]1CCCCN1CC(=O)NN	405187740	KDVMDOWLPINIIN-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CN1CCC[C@H]1CNCc1cccc(B(O)O)c1	585019550	NZRLFIDJDJGJML-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](C)[C@@H](O)C2	686194488	ZRKCGPYNOGXVBH-XXFSISAASA-N	241.335	-0.011	50	10	BBGE	
CO[C@H]1CN(S(=O)(=O)CCl)C[C@@H]1O	686246694	AECIZYYVOQUXEI-WDSKDSINSA-N	229.685	-0.796	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCc1nccs1	688775130	DHVNIDAOLXRPGI-SSDOTTSWSA-N	228.321	-0.004	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(C)(F)F	693770557	PVYBSCJKSQJJLO-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@H](C#N)C1	695104506	SAPXPXYNZZPEGH-NXEZZACHSA-N	240.307	-0.385	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)C[C@H]1CO	698218299	YXFLPBRMHFQGKM-JGVFFNPUSA-N	221.684	-0.041	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](CCF)C1	700560428	JKUTWIHYQTXUQP-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCN(C)C(=O)C1	710097437	VDPAKQHAVAINMD-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
C=CCS(=O)(=O)Nc1ccccc1B(O)O	710228648	WDWFRRTYBUHSFM-UHFFFAOYSA-N	241.077	-0.706	50	10	BBGE	
Cn1nnc(CN[C@@H]2COCC[C@H]2Cl)n1	710959184	DYUBPXXLXKWZNK-RNFRBKRXSA-N	231.687	-0.304	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)NC(=O)CCCl	711209299	IGDQXNIISLLGRS-YFKPBYRVSA-N	235.671	-0.343	50	10	BBGE	
C[C@@H](O)C1CN(CCC(C)(C)C(=O)NN)C1	719811756	RKNSQEDDJQPMQW-MRVPVSSYSA-N	229.324	-0.295	50	10	BBGE	
CN1CCC[C@H]2[C@@H]1CCN2CCC(=O)NN	720448687	YEGBUKUYZZFLSC-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]1OC	724137482	ILHGRNZQCIJYRJ-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnn[nH]1)c1ccco1	741688366	KSAIFLPWXDLQOV-ZCFIWIBFSA-N	249.230	-0.038	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	770644225	JLYFXYFFJWVHDP-NKWVEPMBSA-N	200.238	-0.031	50	10	BBGE	
CO[C@@H](C=NNC(=O)[C@@H]1COCCO1)C1CC1	853313036	CCOXCGGUJXPKNI-UWVGGRQHSA-N	242.275	-0.071	50	10	BBGE	
CC/C=C(\C)C(=O)NNC(=O)c1cn(C)nn1	855184376	BBAFYGDFUAAKHA-FNORWQNLSA-N	237.263	-0.068	50	10	BBGE	
CC[C@@H]1[C@@H](C(=O)NNC(C)=O)CCN1C	864427875	ZGEMXWDTNOEKNN-DTWKUNHWSA-N	213.281	-0.116	50	10	BBGE	
C#CCSCC(=O)NNc1nnc(C)n1C	898975679	KIBVDARDFKTFQN-UHFFFAOYSA-N	239.304	-0.067	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H](O)C1CCOCC1	910161915	AHBMSDXEXQTWKF-SCZZXKLOSA-N	246.307	-0.882	50	10	BBGE	
O=C(CO)NNC(=O)c1cc(Cl)no1	1183078921	UJHVSLKONLKISV-UHFFFAOYSA-N	219.584	-0.919	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)NCC	1631193789	LXZSYJZMRNIMRG-SSDOTTSWSA-N	213.237	-0.625	50	10	BBGE	
CC[C@@H](F)C(=O)NNc1nccn(C)c1=O	1641353492	ZDAWDXXWYBBTGK-ZCFIWIBFSA-N	228.227	-0.029	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2Br)CC(=O)N1	1877379967	IXXSGABFJOVMTC-NTSWFWBYSA-N	247.092	-0.272	50	10	BBGE	
NCC1(O)CN(C(=O)[C@@H]2C[C@H]2Br)C1	1877411477	KTAZKCCLYRVGSX-PHDIDXHHSA-N	249.108	-0.698	50	10	BBGE	
N=c1[nH][nH]c(=NC2CC(Br)C2)[nH]1	1880958002	DMFXBTMCHBWVEM-UHFFFAOYSA-N	232.085	-0.023	50	10	BBGE	
O=S(=O)(CCO)NC[C@H]1C[C@@H]1Cl	1881374689	VQFOLDOAUBDZHD-RITPCOANSA-N	213.686	-0.475	50	10	BBGE	
O=C(NOCCCl)C1CS(=O)(=O)C1	1883019165	UPICOPDAXBEPEZ-UHFFFAOYSA-N	227.669	-0.682	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CS1	1887963439	WMBTYMMCACOHLL-WDSKDSINSA-N	217.294	-0.671	50	10	BBGE	
C[S@@](=O)N[C@H](CBr)C(=O)O	1892035669	MKOPOBDTGLNDTM-OCDXQBQMSA-N	230.083	-0.282	50	10	BBGE	
COC1(C(N)=O)CN(C[C@H]2C[C@H]2Cl)C1	1893098551	JFUKFXYKTULEMN-RNFRBKRXSA-N	218.684	-0.200	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1893473983	CRKVSXYCLQXWCL-HSUXUTPPSA-N	221.640	-0.736	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@H]1F	1895379750	WZIQIIYBJNMRGY-RNFRBKRXSA-N	224.000	-0.942	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSCCCON)O1	1896175953	NNAKYOGRQTWDCO-SFYZADRCSA-N	249.336	-0.463	50	10	BBGE	
CCC=C(C)COc1ncc(B(O)O)cn1	1900792471	WSUPHPUAHCMUDK-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@H]1CC[C@@H]1C(=O)NN	1901981765	WDPQIUBWLMBENE-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
OB(O)[C@H]1CCN(CCO[C@H]2CCOC2)C1	1902514218	WDOKNGIFNNRNJV-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
OB(O)c1csc(CN2O[C@H]3CC[C@H]2C3)n1	1902637043	GLPYSKDKEKISLJ-BQBZGAKWSA-N	240.093	-0.509	50	10	BBGE	
CC[C@H](N)COc1cc(B(O)O)c(F)cn1	1903020811	NPOCLXACZNUMNM-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
OB(O)c1nnc([C@H]2CCCOC2)s1	1904504363	QLZIHCRAWLCYMN-YFKPBYRVSA-N	214.055	-0.888	50	10	BBGE	
Cc1nccn(C[C@H](C)C(=O)NN)c1=O	1912221587	PVPOQMZXJGBPML-LURJTMIESA-N	210.237	-0.822	50	10	BBGE	
NNC(=O)CCCN1CC[C@@]2(CCC[C@H]2O)C1	1918421453	NZDSSFNWGQBVMZ-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
COC[C@@H](S[C@H](CO)C(C)C)C(=O)NN	1928317756	UPIZSSNEMWVZII-HTQZYQBOSA-N	236.337	-0.259	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C[C@@H]1C	1929940323	YMUMRYXOBSHLHA-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C(=O)NN	1937004500	JZUNMTXVZCJDDK-FXQIFTODSA-N	225.292	-0.083	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1COCCCO1	1939091724	HNBDEZUGBVHBDQ-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H]1COCCO1	1940286441	CQJSMIBAWVPCEO-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN1CCC(N(C)C[C@H]2C[C@@H]2C(=O)NN)CC1	1941088379	PXSFIZHRHWTTPO-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](CCO)C2)CC1	1945883294	WYOMBUHMUHTZCC-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1COCCCO1)C(=O)NN	1948400982	QQNHFQPALJTJBT-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@@H](O)C#N)o1	1952957128	UAXXPBVWMIIEAH-YLWLKBPMSA-N	210.189	-0.050	50	10	BBGE	
CC(CCS(C)(=O)=O)=NNC(N)=O	1954505220	CMTPIJBPZYDQQT-UHFFFAOYSA-N	207.255	-0.535	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(N)(CO)CC1	1957242644	PQJPRGJUGRDAQI-QMMMGPOBSA-N	217.700	-0.097	50	10	BBGE	
C[C@H](CCn1ccc(B(O)O)n1)C(F)F	1957934152	DZJKSINHLAIXMW-ZCFIWIBFSA-N	218.012	-0.146	50	10	BBGE	
CO[C@H](CCCl)CNCc1nnn(C)n1	1960992422	JPPLOXURFKPLCX-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
COc1nc(SC(C)C)ncc1B(O)O	1961709683	AIUCXMKMETUYMS-UHFFFAOYSA-N	228.082	-0.335	50	10	BBGE	
COC1(CN(C)CC2(C(=O)NN)CC2)CC1	1979959680	ASXIDEBEKDSRPL-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CN1CC[S@@](=O)C(C)(C)C1)C(=O)NN	1980950295	RUZIXTUPODJAAP-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
CC[C@@H]1CCCN1c1ncncc1B(O)O	1981414166	OOKKTGYXLUWPCV-MRVPVSSYSA-N	221.069	-0.465	50	10	BBGE	
C[C@@H]1CCCN(c2ncncc2B(O)O)C1	1981415003	YZSNEYXTPZLBPI-MRVPVSSYSA-N	221.069	-0.607	50	10	BBGE	
C[C@H]1CCOC[C@H]1Oc1nc(B(O)O)cs1	1981425316	FGRIQBQLRDFWBI-NKWVEPMBSA-N	243.093	-0.373	50	10	BBGE	
Cn1ccn(CCC(F)(F)C(=O)NN)c1=O	1984128628	RNTRWBUJZROVIZ-UHFFFAOYSA-N	234.206	-0.798	50	10	BBGE	
Cc1nn(C)cc1OCC1(C(=O)NN)CC1	1986049556	JLIARGLQRZAVQI-UHFFFAOYSA-N	224.264	-0.123	50	10	BBGE	
COCCN(CCF)CC(=O)NNC(C)=O	1990774372	IAFQUSAXFWEITN-UHFFFAOYSA-N	235.259	-0.928	50	10	BBGE	
COC[C@H](OC1CCN(C)CC1)C(=O)NN	1992110466	IMYHKFRXASAYCM-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CN(Cc1ccno1)C[C@H]1C[C@@H]1C(=O)NN	1993849089	UYUHTMZTNVTETE-APPZFPTMSA-N	224.264	-0.268	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1C=CCCC1	1998136902	FYZCWQJVZKFWJV-HTQZYQBOSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](n2ccnc2)C1	2004327746	QWFDKVUAIYNPRE-UWVGGRQHSA-N	237.307	-0.102	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCC[C@H]21	2004917072	UHVKFQXXTHGUSO-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H]2CCOC2)n1	2004930916	FYGKDVDIGPRMRR-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
Cc1cc(N2CCO[C@H]3C[C@@H]32)ncc1B(O)O	2005014191	HYKUGFJGSSOSAA-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
CC(C)C[C@H](OCCn1cncn1)C(=O)NN	2012465891	UDGVSFQSEDUPCR-VIFPVBQESA-N	241.295	-0.301	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2CC(C)(C)C(=O)NN	2013677044	JSCUHNLMMCJBTR-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCOC12CCCC2	2016129413	BYHPHDLRRYUUPC-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
COC[C@@H](OC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)NN	2016500004	MQUPKZUWOMSWEU-IMHINIOTSA-N	240.303	-0.090	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@](C)(COC)OC	2021119094	FZSBWDIHEWSSHW-GXSJLCMTSA-N	247.339	-0.262	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CC[C@H]1COC	2026290117	NUFPXRIBEORHLQ-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
CCCOC1CN(Cc2cccc(B(O)O)c2)C1	2040867019	ZBYMIZDWYFRTKA-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@@H]32)cn1	2056636968	XBUCJUCIULDFIT-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
CCc1cc(F)cc(B(O)O)c1[N+](=O)[O-]	2060084124	LRVFNRAMXPKSPI-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1cc(B(O)O)cc(C=O)c1[N+](=O)[O-]	2060147875	RDLPYWLFPSYMEP-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@H]3C2)ncc1B(O)O	2068130376	XGHPGDZDMOZAPK-ZJUUUORDSA-N	247.107	-0.299	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccc2c(c1)CCO2	2070732067	CBIWGNXIMVXCIH-ZETCQYMHSA-N	249.270	-0.211	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccn2nccc2c1	2077433346	QXBVZQXGNBGZOX-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2085303647	PBCSLSLRXPOSIO-SCZZXKLOSA-N	247.302	-0.273	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@@H]3O)[C@@H]2C1	2211719334	BGXYEZYCRFBPPT-YSEGSDFXSA-N	245.706	-0.329	50	10	BBGE	
CCNCCCOc1cc(B(O)O)ccn1	2212609005	XMXHTSMLUCZCKE-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2213351714	DGPQGHBQQZOTTI-DNRKLUKYSA-N	241.335	-0.010	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2215006251	BCZNDFWYSJBSTP-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@@H]2C[C@H]21	2215770529	CEUUGYVSYXXXGY-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CN(CC1CC(O)C1)C[C@@H]1CC[C@@H]1C(=O)NN	2215775625	HZUQDXUSWRNNIT-YIYTYNFBSA-N	241.335	-0.295	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccno1	2216242504	KEXFCVUUIVKCMF-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CC1(C(=O)NN)CCC1	2216534121	KHDHOXGOAINWDL-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(Cn2ccncc2=O)CCCC1	2216866529	LNBRYKZKSVXBIH-UHFFFAOYSA-N	236.275	-0.206	50	10	BBGE	
CC(C)(Oc1ncccc1B(O)O)C1CNC1	2217167073	LRGCMNVGGNUICE-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(=NCCc2ccsc2)[nH]c1	2217172418	JUDNKMYPBSNQPR-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1nc[nH]n1	2217176689	ZJAWPYFLQWXTRZ-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
Cc1cnc(NC(C)(C)CCO)cc1B(O)O	2217178938	CQTJZCDWKILICW-UHFFFAOYSA-N	238.096	-0.357	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2ncccc2B(O)O)[C@@H]1C	2217179534	MDIVWBKQADFDFX-KHQFGBGNSA-N	236.080	-0.403	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@]3(C)C2)cc1B(O)O	2217180601	IMKQZFUDOMUUMQ-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
C[C@]1(O)CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217181914	WZRNLOZEAJMULY-KOLCDFICSA-N	236.080	-0.523	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1nccc(B(O)O)c1F	2217182257	BEGOHHKAXKCHAW-HTRCEHHLSA-N	242.034	-0.305	50	10	BBGE	
CO[C@@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2217184700	RAJBVARDVXVXNX-RKDXNWHRSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(O[C@H]2CNC[C@H]2C)cc1B(O)O	2217184815	WQFVLFRYRGOEFC-SCZZXKLOSA-N	236.080	-0.943	50	10	BBGE	
COC(C)(C)CCOc1cc(B(O)O)ccn1	2217189131	YQGIEUHAOCQWBU-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cccnc1	2223639586	SFEUMCYPXQEMQS-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
Cc1cnc(N2CC=C(C#N)CC2)cc1B(O)O	2223646413	KIVRDMYRZDSSDU-UHFFFAOYSA-N	243.075	-0.270	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@@H](C2)N1c1ccc(B(O)O)cn1	2223647283	VRDMAFAWFPGKRK-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN3CC[C@H]2C3)nc1	2223651044	AAPBFFNISMIBTL-GXSJLCMTSA-N	247.107	-0.733	50	10	BBGE	
COC(=O)[C@H](O)CN[C@H]1C[C@H](Cl)C1	2241653309	GLXDTQZRSLZGOD-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(B(O)O)s1	2243348888	BKABQPRYHALPTI-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
CS[C@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2243349910	SJWMEQHJMCRQRY-BDAKNGLRSA-N	241.121	-0.208	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)s1)C(F)F	2243357199	SRNZHGBRFFFWOP-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccc(B(O)O)s1	2243357258	UBUCMBCDLGJFCG-RITPCOANSA-N	243.068	-0.484	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1occc1B(O)O	2243365085	HUUFUHOCJFTOFB-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
CNC[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381651	HTVZVKLTAWIQME-HLTSFMKQSA-N	228.101	-0.789	50	10	BBGE	
CCCN(OC)C(=O)c1ccc(B(O)O)s1	2243407462	SMNQCRYJUAQHHA-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1nscc1B(O)O	2243409606	LMGBXENMGPPTBS-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CC1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243414879	JRFOSNYQSOWJBI-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1nscc1B(O)O	2244146773	JIHLJHIGYFWNPJ-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOC2(CNC2)C1	2244988940	MWVJQJZDNVSKDV-OWOJBTEDSA-N	244.678	-0.491	50	10	BBGE	
C[C@H](CCO)Nc1cc(B(O)O)c(Cl)cn1	2245913038	LCHNMOPIGKUFSN-ZCFIWIBFSA-N	244.487	-0.402	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1cc(B(O)O)ccn1	2246743815	OWPGIPKENQSHLL-SSDOTTSWSA-N	235.052	-0.613	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]1C(F)F	2247734399	GYNWFMFISKILBY-LURJTMIESA-N	244.990	-0.561	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccoc1B(O)O	2247740369	JLXPQNAXWOWVHD-QMMMGPOBSA-N	233.032	-0.803	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)c[nH]1	2247741097	UQWYZXIMZNQGOB-SECBINFHSA-N	234.064	-0.774	50	10	BBGE	
CO[C@@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)C1	2247746581	AZOJKRBEABLPSU-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1	2247747499	OKEDUFIVVKJYLV-NAKRPEOUSA-N	231.060	-0.718	50	10	BBGE	
C[C@@H]1CCC[C@@]1(O)CNC(=O)C1(B(O)O)CC1	2247754928	NXZWEFBDXJHBRY-LDYMZIIASA-N	241.096	-0.339	50	10	BBGE	
O=C(NCc1ccoc1)c1occc1B(O)O	2247757673	RQSKBISIEKGDON-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
COC(=O)CCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247791636	NZZVRUAAWZITRR-JGVFFNPUSA-N	243.068	-0.739	50	10	BBGE	
C[C@@H](CCO)CCNC(=O)C1CC(B(O)O)C1	2247798865	XUGVPYNVPVKGBL-XNWIYYODSA-N	243.112	-0.236	50	10	BBGE	
COCCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247803837	CZMPEQTUJFCIOL-DTWKUNHWSA-N	241.096	-0.218	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2247866151	HLDNLFZXXHYJRR-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(B(O)O)o1	2247866712	QZWIRVRQSFZHOF-BIIVOSGPSA-N	235.048	-0.512	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1occc1B(O)O	2247877744	JTJXPIROYBLEFZ-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CN1CCC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247879643	WQYOMOIEPHNMAO-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CCN(CCF)C(=O)c1cc(C)c(B(O)O)o1	2247880143	BMQWTDHQTSNCSA-UHFFFAOYSA-N	243.043	-0.301	50	10	BBGE	
CCCN(CC(=O)O)C(=O)C1CC(B(O)O)C1	2248575335	BFQHZLLTWGRTMQ-UHFFFAOYSA-N	243.068	-0.437	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]2C3)CCC1	2249928912	BCHFRGMHNZBXNM-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2251005540	VXJLDZRSGHIEGT-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
Cc1cc(=NC(=O)c2cc(B(O)O)c[nH]2)cc[nH]1	2255464632	YXNMEMYKAWPVBD-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2255465988	ROBMVOYMEFRXKK-BRPSZJMVSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H](C)C2)n1	2255482766	ZUDCNSHCAYXTSK-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@H]3C[C@H]32)c1B(O)O	2255512791	FZSBIODGTIXQIF-GXSJLCMTSA-N	245.087	-0.091	50	10	BBGE	
COc1ccc(C(=O)NCC2CC2)c(B(O)O)c1	2255526457	TZVDPNZDMYDCJC-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ccncc1B(O)O	2255694500	OMNWENMEZCPYMK-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1ccoc1B(O)O	2255715439	FTQKWDHWDLOQRY-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2255723822	JMKYLIDCFUWRTB-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)cn1C(C)C	2255729692	ZKFLGYBFSYGUSY-UHFFFAOYSA-N	248.091	-0.498	50	10	BBGE	
O=C(NC1CCC1)c1cc(B(O)O)cn1C1CC1	2255748218	YYNFDWWJPXGJON-UHFFFAOYSA-N	248.091	-0.215	50	10	BBGE	
CC#CC(=O)N1CCCc2c(B(O)O)cccc21	2256601534	REOSEDTYOSYSJI-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1cc(B(O)O)co1	2258132924	KMTWQUTWYGJDNW-KHQFGBGNSA-N	249.075	-0.265	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@H]1O	2298370940	SMJKCHCUORXHLD-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC2CC1(CO)C2	2299796958	SXPBDZXPAJETQB-XTQFYOIMSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1ccc(B(O)O)o1	2301198484	OQVOYDUDJFCOAZ-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
CSC1CN(c2ccc(B(O)O)cc2C#N)C1	2301341235	MYEJJKXTXVXFGS-UHFFFAOYSA-N	248.116	-0.210	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C2[C@@H]3COC[C@@H]23)C1	2303107916	CGZCORHKTFUHMP-XLDPMVHQSA-N	239.080	-0.656	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC[C@H]2COCCO2)C1	2303158355	LVJKWNSKGHOEQT-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303834605	IWIRRYGCUXOHPJ-RNFRBKRXSA-N	242.059	-0.528	50	10	BBGE	
C[C@@H]1NC[C@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305447891	RCKNWDJYONRDBX-KWQFWETISA-N	239.275	-0.848	50	10	BBGE	
COc1ccc(CN(C)[C@@H](C)C(=O)NN)nc1	2307220320	OZTRSSVBARXMEC-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C=C[C@@H]1C2	2311430474	BYMFLVINPLVLOW-JOYOIKCWSA-N	243.071	-0.233	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CC[C@H]1C2	2311431000	SXDAQGBDGJAPPK-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
C#CC[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2320792700	JBISTUQUDPMYII-SECBINFHSA-N	248.066	-0.250	50	10	BBGE	
CC(=O)NCCNC=C(C#N)C(=O)NC(C)C	2324518310	QOGPBJVPCMSVGY-UHFFFAOYSA-N	238.291	-0.356	50	10	BBGE	
CNC(=O)NNC(=O)Cn1nnc2ccccc21	48949194	WZXGWSXMMFDZIZ-UHFFFAOYSA-N	248.246	-0.609	50	10	BBGE	
NNC(=O)C1CCN(C(=O)c2ccncc2)CC1	66057446	OTTRKFHFLFWUAE-UHFFFAOYSA-N	248.286	-0.076	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CN)CC[C@H]1C	70182696	ALNSSHITLTVVDP-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
COC(=O)[C@H]1CN(C(=O)CCl)CCC1=O	70638461	HHNBIXRFILAOML-LURJTMIESA-N	233.651	-0.184	50	10	BBGE	
NNC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O	85479319	SJIDJDVJJBJVQZ-UHFFFAOYSA-N	225.160	-0.104	50	10	BBGE	
CCc1cc(C(=O)NNC(=O)c2c[nH]nn2)[nH]n1	104646900	WDPAIHPHGLISSN-UHFFFAOYSA-N	249.234	-0.835	50	10	BBGE	
C[C@@H](CO)N(C)[C@H](C)CCC(=O)NN	125436992	UPBOMLVJRRVXLV-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
OB(O)c1ccccc1OCCn1cccn1	198936890	BFHIFAWBZXTZNR-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
CO[C@@H](C)COc1ccc(B(O)O)c(F)c1	228583078	ZNYJVJVUEDVPFK-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CC[C@H](O)CNS(=O)(=O)CCCl	232301439	ZVZICYIAWDGMCF-LURJTMIESA-N	215.702	-0.085	50	10	BBGE	
C[C@H]1CN(C)CCN1[C@H](C)CCC(=O)NN	235419448	HXDKAUKCFCHJDN-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2c(c1)CC(=O)N2	259059163	WMWFLEPJUCCKSK-QMMMGPOBSA-N	234.259	-0.439	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1OC	300046148	QUMOXHVHMDTAIT-ZYUZMQFOSA-N	245.323	-0.654	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CN2CCN1CC2	306643699	XMUTYUKDVAVHQF-RKDXNWHRSA-N	231.727	-0.270	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCCl)C[C@@H]1O	307082440	PYFVARAXCKECBA-RQJHMYQMSA-N	227.713	-0.132	50	10	BBGE	
Nc1cc2ccc(B(O)O)c(O)c2s1	307100116	XKXQUVVZJCMKEN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@](O)(CO)C1	307151834	FPPLZPXSEYUYDA-DTWKUNHWSA-N	218.684	-0.063	50	10	BBGE	
O=C1O[C@H]2[C@H]3[C@@H]1[C@H]3[C@@H](O)[C@H]2Br	307297836	SUTMOCMMWLPLHZ-PYAXOIPSSA-N	219.034	-0.088	50	10	BBGE	
O=S1(=O)NCCN1CCOCCCl	308379248	KIWIUGGUFUTJNL-UHFFFAOYSA-N	228.701	-0.608	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1)[C@H]1CCOC1	311037282	UQOXKHCAZIFUBM-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CN(C)C1=CC(=O)C(=NNC(N)=O)C=C1	383930812	XWTUNZRXWVJVQF-UHFFFAOYSA-N	208.221	-0.405	50	10	BBGE	
N[C@@H](CC(=O)O)SS[C@@H](N)CC(=O)O	388785836	IOBWQSXKJLGKMX-QWWZWVQMSA-N	240.306	-0.113	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(CO)C1	394574366	UZUYTWBAQLBOGB-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
COc1cccc(B(O)O)c1CC(=O)CCl	396027190	XREJJWXEWZVIKB-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
CN(CCCC(=O)NN)CC[S@](C)=O	399878750	DKSCKUJBJLUYDV-AWEZNQCLSA-N	221.326	-0.933	50	10	BBGE	
O=C(N[C@H]1CCCOC1)c1ccc(B(O)O)cc1	584981762	ZZRFOHKKVZRDKH-NSHDSACASA-N	249.075	-0.725	50	10	BBGE	
COC[C@H](OC1CCC(OC)CC1)C(=O)NN	686250156	PDVBFVPIWLRLHV-RTBKNWGFSA-N	246.307	-0.035	50	10	BBGE	
Cc1ncc(CN(C)[C@@H](C)CC(=O)NN)n1C	689558486	YSQVTBYTCUFZQS-QMMMGPOBSA-N	239.323	-0.071	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)C(C)(C)C	689989350	REWVAAHGITYHOZ-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
COC[C@@H](CN(C)[C@@H](C)CCC(=O)NN)OC	691289721	ZYPHVNLHMHUCRZ-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)C(=O)NN)CC1	692063125	LONIDDNQBAAPPO-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(CC(N)=O)C1	695098168	GVIDSBALGHFUSK-VIFPVBQESA-N	242.323	-0.802	50	10	BBGE	
Cc1nccnc1CN1CC(=O)OC(=O)C1	699953988	VASGEDNCEWNJMX-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@@]2(C)C1	702397017	HDYCPBOBHFQWNP-KKZNHRDASA-N	226.324	-0.752	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)[S@](C)=O	703424530	MCCOFYPOYWRWOA-MKIUOGOPSA-N	245.300	-0.330	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](C2CC2)C1	709914154	VHEZGPYQQHVREF-VIFPVBQESA-N	213.281	-0.523	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1C[C@H]1C(=O)O	715346707	YHWQAINOQGJERM-NTSWFWBYSA-N	201.226	-0.517	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC[C@@H]2CO2)c1	718550773	VZUFSWNHYYQPJA-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([C@H](C)O)C1	719809361	BBSIMBCORYNSDO-WPRPVWTQSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@]1(C)CO	723024163	UGUJTZHKNQWHRJ-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CCC(=O)N[C@@H](C)C(=O)NNC(=O)NC(C)C	745139199	BGHYHCAUPCAEDF-ZETCQYMHSA-N	244.295	-0.360	50	10	BBGE	
C=CCNC(=O)NNC(=O)[C@H](C)OCCOC	748452089	FXIYHKPLIRUZHS-QMMMGPOBSA-N	245.279	-0.446	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NNC(=O)NC2CC2)C1	847391401	XWOHCZMCMHOFBK-MRVPVSSYSA-N	240.307	-0.179	50	10	BBGE	
O=C1OC[C@H]2CN(S(=O)(=O)CCl)C[C@@H]12	859417525	UPILUWLCWMWRFH-PHDIDXHHSA-N	239.680	-0.383	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)O1	862469585	PAKHJEPGFVQDCT-HTRCEHHLSA-N	238.247	-0.262	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=CCC[C@H]1CCO1	1331722357	HQQZVQUKDYMYLT-QMMMGPOBSA-N	248.304	-0.298	50	10	BBGE	
C=CC(=O)N(C)CC(=O)NNc1cccnn1	1566757479	UFXZTDNCXGGVHB-UHFFFAOYSA-N	235.247	-0.436	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNc1ccncn1	1569313660	GQIGDTMKPAIWAF-LURJTMIESA-N	223.236	-0.569	50	10	BBGE	
C=CCn1cc(C(=O)NNc2cnnn2C)nn1	1638740572	MEVIJKKITLMHDU-UHFFFAOYSA-N	248.250	-0.651	50	10	BBGE	
O=C(CCCCO)NNC(=O)c1ncccn1	1639386189	DYSGVRCQNRAUPH-UHFFFAOYSA-N	238.247	-0.600	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1CCc2n[nH]cc2C1	1651058674	GWXDAFHDHWPNTK-LURJTMIESA-N	247.262	-0.224	50	10	BBGE	
N=C(CNC(=O)[C@@H]1C[C@H]1Br)NO	1877334318	MUKVIFBDJTUXBO-QWWZWVQMSA-N	236.069	-0.158	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@](C)(O)[C@@H](O)C1	1877551770	ULTIUWZRSQJMGD-ACLDMZEESA-N	221.684	-0.042	50	10	BBGE	
NS(=O)(=O)NC[C@H]1C[C@@H](Br)C1	1880435088	YQXDQFKPLCEDAW-SYDPRGILSA-N	243.126	-0.047	50	10	BBGE	
O=S(=O)(CCCl)N1CC=C[C@H]1CO	1881716091	MMORNTLHJNSOMA-ZETCQYMHSA-N	225.697	-0.212	50	10	BBGE	
CC[C@@H](OC[C@H]1CCN1C)C(=O)NN	1886370195	IXMZYSAHMMXGHS-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CN(NC(=O)/C=C/C(=O)Cl)S(C)(=O)=O	1888599399	XDFYVNJSYKWHJH-ONEGZZNKSA-N	240.668	-0.769	50	10	BBGE	
CN1CC[C@H]([C@H](N)[C@H]2C[C@@H]2Cl)S1(=O)=O	1893445604	DOEBYAXCISROHP-RULNZFCNSA-N	238.740	-0.025	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@](C)(O)C1)C(=O)NN	1896859290	GHNCJWSADKRQDI-FXPVBKGRSA-N	229.324	-0.295	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)C[C@H]1CO	1899578346	ZALAJJDXOHARRB-BQBZGAKWSA-N	243.712	-0.670	50	10	BBGE	
CS[C@H]1C[C@@H](CN(C)C(=O)C#CB(O)O)C1	1899761519	YUOJZATWJSRBLA-DTORHVGOSA-N	241.121	-0.398	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2ncoc2c1	1901783472	ZXDGKMHHWZUVMU-UHFFFAOYSA-N	220.188	-0.244	50	10	BBGE	
CCC#CC(=O)Nc1ccnc(B(O)O)c1	1902335150	MMAFBZOHEMLQBK-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CCCO2)C1	1902511323	GYWVKYZQMGNGQK-SCZZXKLOSA-N	227.069	-0.369	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@H]1CCO1	1902638683	GAKRASQIMCZIRZ-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
COC(=O)[C@@H](N)CCN1CCC(O)(C#N)CC1	1921734133	YZPSWABGTCQUFB-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
CCC1(O)CN(CC(F)(F)C(=O)NN)C1	1927817213	ZDKRIYYSWDNHIT-UHFFFAOYSA-N	223.223	-0.932	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(F)(F)C1	1927913405	IVGKQALAVJYZEY-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(F)(F)C1	1927913406	IVGKQALAVJYZEY-NKWVEPMBSA-N	219.235	-0.047	50	10	BBGE	
O=C(OCCl)N1C[C@@]2(CO)C[C@]2(CO)C1	1928556281	GFVRLNUZVXBJAG-RKDXNWHRSA-N	235.667	-0.004	50	10	BBGE	
O=C(C=Cc1cccnc1)NNCCO	1929833567	LQSKQHKFADWPLH-UHFFFAOYSA-N	207.233	-0.292	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]2CC[C@H]1O2	1929838091	IZSPGNMJBUPVBO-XLPZGREQSA-N	200.238	-0.833	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCC1(C(=O)NN)CC1	1931266385	FAXAKFBKWNUSIY-SFYZADRCSA-N	214.265	-0.192	50	10	BBGE	
COC[C@]1(O)CCN(C[C@@H](O)CCl)C1	1931628155	QIKRYSQMYHIXCR-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H](F)C1	1932120194	KIAYQWVPICMYKO-NTSWFWBYSA-N	203.217	-0.627	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)NNC(N)=S	1935365634	SIJRAGSDWDJEAV-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
C[C@@H]1COCCCN1C[C@@H]1C[C@H]1C(=O)NN	1936088364	MNLNAYHJGVFYIZ-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCN1C	1941089597	WLGGSQHADJWPRC-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
COC(=O)N1CCc2ccc(B(O)O)cc2C1	1944859688	LYSPWNAPXHHTNC-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
COc1ccc([C@H](N)[C@@H](O)C#N)c(OC)n1	1952956619	MWRUSWHUSVSZTD-CBAPKCEASA-N	223.232	-0.017	50	10	BBGE	
NC(=O)NC1CN(CCOCCCl)C1	1956251295	DIAUAWXGHWUNRX-UHFFFAOYSA-N	221.688	-0.406	50	10	BBGE	
CCC[C@@H]1COCCN1CC(=O)NN	1956765691	JNBNZMKICXPHNV-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
COCCCSc1nc(B(O)O)cs1	1956965494	KVNVJVZYUMNSMN-UHFFFAOYSA-N	233.123	-0.049	50	10	BBGE	
COC[C@@H](S[C@@H](CN)C(C)C)C(=O)NN	1958095445	WSPIJORDXWSGOA-JGVFFNPUSA-N	235.353	-0.292	50	10	BBGE	
C[C@@H](CN(C)Cc1ncon1)C(=O)NN	1958700054	VHYWVCVFANXWIK-LURJTMIESA-N	213.241	-0.873	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CC[C@]12CCCO2	1958754080	REOYNJLWLWLBTF-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C1	1961679850	OVXAHVMNOQBMLT-ZETCQYMHSA-N	207.042	-0.997	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ccncc1B(O)O	1961695814	JOHOTDGDUHXIGJ-SFYZADRCSA-N	206.054	-0.394	50	10	BBGE	
O=C(NCc1nn[nH]n1)C1CC(Cl)C1	1964886170	JTOWTGAKQVVZIN-UHFFFAOYSA-N	215.644	-0.167	50	10	BBGE	
CN(C)CCCOc1nc(B(O)O)cs1	1974675060	LYZMFKZZFGEMCR-UHFFFAOYSA-N	230.098	-0.847	50	10	BBGE	
ClC[C@@H]1CO[C@H](CNCCn2cnnn2)C1	1975558644	YGZLKRJCEIUEEN-BDAKNGLRSA-N	245.714	-0.093	50	10	BBGE	
NNC(=O)N1CCC[C@]2(CCCNC2=O)C1	1977985070	IQKAXMHUIIHMEL-SNVBAGLBSA-N	226.280	-0.438	50	10	BBGE	
NNC(=O)CN1CCCC[C@H]1c1ncon1	1980871733	ARWARZCLIZOYRQ-ZETCQYMHSA-N	225.252	-0.414	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[S@](=O)C[C@H]1C	1981192696	UFOKPRUIVKQSOS-LGZSNQIQSA-N	247.364	-0.402	50	10	BBGE	
CC(F)(F)COc1ncc(B(O)O)cc1F	1981424694	XHBMIERMNRVREE-UHFFFAOYSA-N	234.970	-0.066	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1c1nc(B(O)O)cs1	1981468809	IPPRHXPOVMUDCF-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
Cn1cc([C@H](N)C(=O)NC2CC(Cl)C2)nn1	1983208518	CBDHOARJELGAKS-QIECLKSESA-N	243.698	-0.299	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1OCC[C@H]1F	1984338515	VIDXRNUCOZIQRZ-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CN(C)C1CC(OCCOCC(=O)NN)C1	1986221356	NOELIPAEOBRRKZ-UHFFFAOYSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)CCCC(=O)NN	1988558373	WMFLCFQVCDCXJT-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOC[C@H]1CCO	1991650580	NXADXELCPUSERG-MRVPVSSYSA-N	247.678	-0.082	50	10	BBGE	
N[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1CO	1991709200	GBXMZJRKXJLTLO-XLNBVVSQSA-N	246.694	-0.524	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(n2ccnn2)C1	1991716264	HHQUAHXUZLLAAD-OWOJBTEDSA-N	240.650	-0.017	50	10	BBGE	
O=C(CC(F)F)Nc1cc(B(O)O)ccn1	1992782840	PTBAPUDWYITLEC-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CNCC[C@H]1C	1999919374	KHJYNMXZCYINTA-PSASIEDQSA-N	242.323	-0.917	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCN2CCC[C@H]1C2	2000464936	YJOXPTGWDWMKPB-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CCCN([C@@H](C)CC(=O)NN)[C@@H]1CCNC1=O	2004312711	DFMNYGFBVFUIPY-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
Cc1cc([C@@H]2CCCN2C(=O)C(=O)NN)on1	2004446825	PCKTYRLGBLUJMN-ZETCQYMHSA-N	238.247	-0.364	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ncncc1B(O)O)C2	2004912320	RGWGIPNOGDRWND-LDYMZIIASA-N	233.080	-0.607	50	10	BBGE	
CC(C)CN(c1ncncc1B(O)O)C1CC1	2004920773	NLOFHCNBCSUTLR-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC2(CC1)COC2	2008333987	NFWLKNNPMRABJX-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C=C(CN1C[C@H]2C(N(CC)CC)[C@@H]2C1)B(O)O	2021159712	XUMSMFACOIEYEN-GHMZBOCLSA-N	238.140	-0.173	50	10	BBGE	
CN(CC(F)F)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023851831	CBQJGCUQSLIYMR-MGCOHNPYSA-N	249.261	-0.278	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)CCOCC(=O)NN	2026299356	WPXYABOZNMDRQZ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CN(C)C(=O)N1CCc2c(cccc2B(O)O)C1	2032570307	SNNBFYWWMQOEEB-UHFFFAOYSA-N	248.091	-0.594	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCc2nnccc2C1	2043020843	XVPZXUAYHPBBCL-UWVGGRQHSA-N	247.302	-0.539	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3CCC[C@@H]32)n1	2052623290	HHIJSZAGONBYFW-UWVGGRQHSA-N	247.107	-0.238	50	10	BBGE	
CCOc1ccc(OC)c(C=O)c1B(O)O	2060131444	HMLZWLBGROUEFH-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1cc(B(O)O)cc(C=O)c1OC(F)F	2060328606	BGXCTWUKWPJJPX-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
CNC(=O)N(C)Cc1sc(C)cc1B(O)O	2211918827	SFBOCSHRKZRWFM-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
CCN1CC[C@H](OCCOCC(=O)NN)C1	2212247888	LNWXYXORXCHPLN-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CSC2=O)CCC1	2212250387	LNHLMNHZPKTHDY-UHFFFAOYSA-N	243.288	-0.158	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1C[C@@H]2C[C@@H]2C1	2212273824	NBSDWNMHAOENLQ-ILWJIGKKSA-N	225.292	-0.116	50	10	BBGE	
C[C@H](CC#N)N(C)c1cc(B(O)O)ccn1	2212600133	AQKRAAQCHIEUHG-MRVPVSSYSA-N	219.053	-0.500	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@@H]1CCC[C@H]1O	2212901388	UAGRIPVWWJTTNX-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2CC[C@@H]2C(=O)NN)cn1	2215774637	XSKVXPDBQQRYCU-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2[C@@H](O)C[C@H]2C1	2215778057	XABFNPXDUVVNGN-QGKZMRNZSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](CN1C[C@H]2CCO[C@]2(C#N)C1)C(=O)NN	2216067640	GRNGAJMJUJSEKG-FXPVBKGRSA-N	238.291	-0.773	50	10	BBGE	
CN(c1ncncc1B(O)O)C1C[C@@H]2C[C@H]2C1	2216637877	QCXYXSYXSVYSNS-YUMQZZPRSA-N	233.080	-0.609	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)CC[C@@H](N)C1	2217181643	SNQWNCOPQCHVSI-LDYMZIIASA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2nccc(B(O)O)c2F)CN1	2217182806	HBLBTBSSJMLJIU-RNFRBKRXSA-N	239.059	-0.937	50	10	BBGE	
C[C@@H](N)CCCCOc1ccc(B(O)O)cn1	2217187703	COFLYUXBOJHJOX-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
C[C@H]1OCC[C@]1(C)Nc1ccc(B(O)O)cn1	2217196463	FYSMYWYNSGSNDC-KCJUWKMLSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1c1ccc(B(O)O)cn1	2217202497	KEXYHOXGUCTEAE-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058465	LQCCGUUIUSAZFC-PWSUYJOCSA-N	249.119	-0.431	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1Nc1ncccc1B(O)O	2223633665	ZSNYXBWTQNQAGK-GHMZBOCLSA-N	249.123	-0.344	50	10	BBGE	
Cc1nc(CN(C)c2ncccc2B(O)O)no1	2223634237	IAFBKKTZQXYZBL-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
Cc1cc(Oc2ncc(B(O)O)cn2)ccc1N	2223654640	QCNOMHZQQAEJPL-UHFFFAOYSA-N	245.047	-0.161	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@H](N)C1	2223670029	RPPVHTFTDDFWHO-WDEREUQCSA-N	249.123	-0.533	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)c1ncon1	2223672266	DWLRXBAYDWKOMX-ZETCQYMHSA-N	248.051	-0.640	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@]23CCNC3)nc1	2223678901	JJAXHAXLLHUGQF-LBPRGKRZSA-N	247.107	-0.906	50	10	BBGE	
CN(CC1CC1)C(=O)c1nscc1B(O)O	2243346854	DONYYCXHFUCZPI-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)C1(B(O)O)CC1	2243365548	ODHCICCDKFKNNT-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
C=CCNC(=O)c1cc(C)ccc1B(O)O	2243367758	XZGSXEVJDCEETR-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
O=C(NC1CCC1)c1cncc(B(O)O)c1	2243376219	GPPHTVRHHPQOHA-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
C#C[C@H](C)NC(=O)c1scc(B(O)O)c1C	2243381197	DKYJULWLPHWQTC-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
Cc1ncc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2243382080	LIGJCLXLYOGOKQ-YUMQZZPRSA-N	221.025	-0.414	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1sncc1B(O)O	2243384990	APDPMKWQTPLYIS-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243391327	JIALOPORCGARAC-IVZWLZJFSA-N	221.065	-0.281	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2243395663	ANLFNNHOMFELOO-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
CCC[C@@H]1CN(C(=O)C#CB(O)O)CCO1	2243399607	OCRNTNXGLQPVSN-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C[C@H]1CN(C(=O)c2sccc2B(O)O)[C@@H]1C	2243404479	OWXCQQKJGPHZFN-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2COCC[C@H]21	2243419761	GDMWYEZVTMGQHJ-UYXSQOIJSA-N	225.053	-0.903	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243426783	LWIDRUIWDYXTRO-HLTSFMKQSA-N	224.069	0.000	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1C=CCOC1	2244128595	WHSSFPFPUQDIAD-MRVPVSSYSA-N	221.021	-0.905	50	10	BBGE	
CCNC(=O)[C@H](C)N1CCC(B(O)O)CC1	2244180699	QAJNUHVTQMAQLN-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
CC(C)(O)CNc1cc(B(O)O)c(Cl)cn1	2245912869	INFSYDJERMLKNM-UHFFFAOYSA-N	244.487	-0.402	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H](F)C2)n1	2247153206	SCMSZLSEPJNNOC-ZETCQYMHSA-N	240.043	-0.682	50	10	BBGE	
C[C@@H](C(=O)Nc1cccc(B(O)O)n1)C(F)F	2247504645	SJEZVFAQIIUYOR-RXMQYKEDSA-N	244.006	-0.399	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNC(=O)C1(B(O)O)CCC1	2247721460	DNXYNQJMVMRPQI-RKDXNWHRSA-N	243.112	-0.093	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1cc(B(O)O)c[nH]1	2247747449	NOPHRBNJNPFJEJ-UHFFFAOYSA-N	234.064	-0.515	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1occc1B(O)O	2247754026	CWOHBHKLBQUIII-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](CN2)C1)C1(B(O)O)CCC1	2247755103	IXBDTKVWEWONGD-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@H]1F)C1(B(O)O)CCC1	2247756056	KXTPKBVATYAXGF-SFYZADRCSA-N	245.059	-0.373	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2CN1C(=O)C1(B(O)O)CC1	2247759234	ZXQIQZAVMWVLLK-YUMQZZPRSA-N	237.064	-0.222	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2247769276	GPCKEDQKMDZIGY-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)CCO1	2247797189	GXEYDTMTQUWLEZ-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1C[C@]12CCOC2)[C@H]1C[C@@H]1B(O)O	2247798669	WDOQXQFEFOAYAF-KBIXCLLPSA-N	239.080	-0.608	50	10	BBGE	
CCN(C(=O)c1c[nH]nc1B(O)O)C(C)(C)C	2247800586	QLGFMXJRRWCHSS-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247800887	URBNIQVWIULPDQ-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccn(C)n1	2247810182	VLYROKZKMHGUGK-GJMOJQLCSA-N	237.068	-0.540	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247842328	SJRRJZAMQWSQAP-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(N1CC[C@@H]2COCC[C@H]21)C1(B(O)O)CC1	2247854150	XWNXUNBRAYPTIC-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2COCC[C@H]21	2247855306	QFLMZCDNMHXKAA-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCC12CCN(CC1)C2)C1(B(O)O)CC1	2247875631	ZQGJUZBGGFBWFS-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
O=C(N[C@H]1COC2CC1C2)C1(B(O)O)CCC1	2247879682	UWHVKDNZHDWGOX-HACHORDNSA-N	239.080	-0.323	50	10	BBGE	
CCC(O)(CC)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894299	FKENHTVSHKFNQS-DTORHVGOSA-N	243.112	-0.093	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n(C)n1	2247899406	NEHDSIGQNWQZQG-BDAKNGLRSA-N	237.068	-0.792	50	10	BBGE	
C[C@H]1CC[C@H](COc2ncc(B(O)O)cn2)C1	2248000659	JUHFEWKPAXXTCC-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)[C@@]12COC[C@H]1C2	2249382273	JPMARZVHZVHWGB-KCJUWKMLSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2249419032	BTMAMMQPPGETNC-SNVBAGLBSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccncc1B(O)O	2255452084	CZLJHVFIMNVGDU-DTWKUNHWSA-N	248.091	-0.511	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1coc(B(O)O)c1	2255456903	VCLFIRHAYCBSHV-SNVBAGLBSA-N	247.059	-0.413	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2255464258	UEKKYQHGIVJPBE-UHFFFAOYSA-N	246.075	-0.820	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1C[C@H]2C[C@@H]2C1	2255515397	XBYRCFWMWRILME-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255524114	VMAQTQYSGLEDFG-SECBINFHSA-N	248.091	-0.463	50	10	BBGE	
C=C1CC(N(C)C(=O)c2ccc(B(O)O)cn2)C1	2255686465	RNYUBGXYLINJLK-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2C2CC2)oc1B(O)O	2255779980	OROQCCKSENLODJ-BDAKNGLRSA-N	249.075	-0.204	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CCC[C@@H]21	2258129871	ZCBYSEPORAJFIU-KWQFWETISA-N	249.075	-0.026	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)[C@H]1C	2298369788	FMQHXBSTHUTOKL-OAHBRNHXSA-N	239.080	-0.121	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]1C1(O)CC1	2298375437	KEVRSAOSNOYICO-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1C	2298376523	ZXSXGUSNVOJIKG-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)CN	2298377197	IDAFCFFTWAHMLQ-YSSBGUOXSA-N	240.112	-0.707	50	10	BBGE	
C[C@H](O)C1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300365939	CPUCZMOBXPETOD-ATZCPNFKSA-N	241.335	-0.295	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@H](O)C2)cc1B(O)O	2301452499	IIQLGBWWHJNVMK-MGCOHNPYSA-N	235.048	-0.886	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303110188	YEUSJJMWXQHOEY-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(COCC(=O)NNC(C)=O)C(=O)O	2303420408	VMEAKMCPBUAGPQ-SNVBAGLBSA-N	246.263	-0.329	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	2303422076	GSQWHQUGMCBOKY-BTQIBKBOSA-N	241.335	-0.152	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303847368	ICBKKANTCADXCN-DTWKUNHWSA-N	239.059	-0.808	50	10	BBGE	
C[C@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)CN1	2303857487	FKTVXTWJDSEZFI-BQBZGAKWSA-N	240.043	-0.970	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1coc(B(O)O)c1	2313187425	VWLNBAFOFIJXQE-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
CN[C@@H](C)CCNc1ccc(B(O)O)cc1C#N	2317166526	WBBDKPXWXVRENV-VIFPVBQESA-N	247.107	-0.352	50	10	BBGE	
C=C(CCN)CNc1ccc(B(O)O)cc1C#N	2317168766	YINMVVOALXTMTP-UHFFFAOYSA-N	245.091	-0.445	50	10	BBGE	
CCCO[C@@H]1CCCN(C(=O)C(=O)NN)C1	42426515	JOWTUOSHZOEIPQ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
COC(=O)CCSC[C@H](C)C(=O)NN	82472436	JKAMSYBWSNHXKT-LURJTMIESA-N	220.294	-0.091	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC(=O)C2)cc1	110569973	SADXNBQVVBKPRS-UHFFFAOYSA-N	248.286	-0.778	50	10	BBGE	
C[C@@H](CCl)NC(=O)CS(C)(=O)=O	137148592	RXUUFSMFOVLKSJ-YFKPBYRVSA-N	213.686	-0.226	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NN(C)C(N)=O)O1	179696555	HCMLIAZSUFHPDV-RITPCOANSA-N	201.226	-0.404	50	10	BBGE	
C[C@@H]1CCCCN1c1cnc(B(O)O)cn1	198083531	TWEZIKNWKONLHL-MRVPVSSYSA-N	221.069	-0.465	50	10	BBGE	
COC(=O)[C@@H](Cl)[C@H](OC)C(=O)OC	216554151	REFKUTPMDILWCM-WHFBIAKZSA-N	210.613	-0.045	50	10	BBGE	
NC(=S)NNC(=O)c1cnn2ccccc12	231928206	BPEYEGBBFRCNOG-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN1CC(=O)OC(=O)C1	235302624	LDTLCQORBAUPJY-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
Nc1c(C2(N)CC2)nc(CCl)c[n+]1[O-]	238575317	LLZCGQBHDXMGHV-UHFFFAOYSA-N	214.656	-0.016	50	10	BBGE	
NC(=S)NCCC(=O)NCCCl	243197155	KCUMMPJCDWAIFW-UHFFFAOYSA-N	209.702	-0.435	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCOC1	251269767	DZKVHCBONCKFTO-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CCC(=O)NN)CC2	252632744	CELPFZSHYARLSA-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C/C=C/C=C/C(=O)NNC(=O)[C@@H]1COCCO1	266737083	YNWUFIWCHZXGIT-RGZCDDGESA-N	240.259	-0.319	50	10	BBGE	
COC[C@H](O[C@H]1C[C@H](C)O[C@H](C)C1)C(=O)NN	300017874	DTZGHSAVZUCMBB-JXUBOQSCSA-N	246.307	-0.036	50	10	BBGE	
CC1(C)O[C@@H]2C(=O)O[C@H]([C@H](O)Cl)[C@@H]2O1	306265933	BMFFBRCBPHEFNE-BXKVDMCESA-N	222.624	-0.011	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCNC(C)=O	308204706	XRTKBSBECBLHQZ-SECBINFHSA-N	230.312	-0.787	50	10	BBGE	
CNC(=S)NNC(=O)CCCC#N	308363874	NFFNQGRYDJUQNK-UHFFFAOYSA-N	200.267	-0.195	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccccc1=O	314718607	ZLNBSUJPJQTSIU-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
COC(C)(C)COC[C@H]1CC[C@H](C(=O)NN)O1	379279282	BXUGMBCMEGVABN-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
CN(c1nnc(CCCl)o1)C(CO)CO	379865600	NYSZIWRLJQDROS-UHFFFAOYSA-N	235.671	-0.360	50	10	BBGE	
CCCC1(O)CN([C@H](C(=O)NN)C(C)C)C1	384120357	JFNIRUFOZFUZLB-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](O)[C@H]1C	384951611	VKKQJBZJIZGTND-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C[C@@H]1C	384991324	CKLYZFPTGUNEEP-JBDRJPRFSA-N	215.297	-0.544	50	10	BBGE	
CNC(=O)CS[C@@H](C(=O)NN)C(C)(C)C	395616769	QGOSSADAYMBMJD-ZETCQYMHSA-N	233.337	-0.130	50	10	BBGE	
N#Cc1cc2sccc2c(B(O)O)c1CO	396228860	VCDCJPJRCXXDEA-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C2COCC1COC2	399915153	HZLVGAWSZNAOAP-DKEVHCRPSA-N	243.307	-0.900	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CO[C@@H](C)C1	401534716	REMRIFMOBXMGEY-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CSc1cc(O)cc(B(O)O)c1F	575705263	HLXNPRLNUGRZBB-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
CC(=O)N1CCC(NC(=O)NN)CC1	606275042	DMZOKQCVBLNTIK-UHFFFAOYSA-N	200.242	-0.830	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@H](C)C1O	688121923	JXMIDXQLNCNNBM-XHNCKOQMSA-N	229.324	-0.439	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C)[C@@H]1CO)C(=O)NN	688737974	OIGFUUGQIMKUOQ-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)c(C)c1	690070226	ZVLNLQTXTROEMD-MWLCHTKSSA-N	249.075	-0.352	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1cc(C)ccc1B(O)O	690071398	CJPZBMMRGNALIA-LDYMZIIASA-N	249.075	-0.352	50	10	BBGE	
Cc1cc(OCc2nccn2C)ccc1B(O)O	690879202	MOSNJYNFKMYSLW-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1ccn(Cc2cccc(O)c2)n1	694231108	ZIYAJDJKTMWJMT-UHFFFAOYSA-N	218.021	-0.683	50	10	BBGE	
C[C@H](C(=O)NNC(N)=S)n1cccn1	700847724	IOAUZXYCFRNUKN-RXMQYKEDSA-N	213.266	-0.692	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccc(O)cc1	700852890	VYKGVMIAZUMDAZ-UHFFFAOYSA-N	209.205	-0.366	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2COCCO2)c1	708522570	LAJLPMSQKMXJSN-NSHDSACASA-N	238.048	-0.839	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C)(N(C)C)CC1	709869559	LORMHVCCDJMYPA-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
COCCOCc1nsc(C(=O)NN)n1	724345327	GVPCHOAHYNZFLP-UHFFFAOYSA-N	232.265	-0.695	50	10	BBGE	
NC(=O)[C@H]1CCN1S(=O)(=O)CCCl	757142569	GBBZDRIIWQERFL-RXMQYKEDSA-N	226.685	-0.885	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn[nH]1	772859473	OTJMIQIGNDLWMB-NKWVEPMBSA-N	237.263	-0.142	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)c[nH]1	778707774	DHHAUADAKCPNOV-UHFFFAOYSA-N	245.202	-0.921	50	10	BBGE	
C[C@]1(C(=O)NNc2cnccn2)CCC(=O)NC1	798991629	DHYZGRZKYNWWJX-NSHDSACASA-N	249.274	-0.164	50	10	BBGE	
CCN(C)S(=O)(=O)NNC(=O)OC(C)C	842587893	MPKPXGZUPNMODM-UHFFFAOYSA-N	239.297	-0.178	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	910185759	YDXCCNDOQOMWSB-XHNCKOQMSA-N	243.307	-0.768	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(O)nc1C	1136379424	YSWFZTDUIVGRCQ-UHFFFAOYSA-N	224.220	-0.331	50	10	BBGE	
CCOCCC(=O)NNC(=O)c1cn(C)nn1	1328371756	AKUHVIBHTYEZKY-UHFFFAOYSA-N	241.251	-0.997	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1nc[nH]n1	1558992287	UURVGLLIMJMMEL-ZCFIWIBFSA-N	209.209	-0.714	50	10	BBGE	
CNC(=O)NNC(=O)c1n[nH]cc1F	1597340172	DFOJNOPWRNUVPP-UHFFFAOYSA-N	201.161	-0.877	50	10	BBGE	
COc1ccccc1NNC(=O)Cn1cnnn1	1625597674	WFDUBTDHIJHGNR-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1ncccn1	1639386283	GSEGGPJCBWGDIV-XBBYQOBLSA-N	236.231	-0.825	50	10	BBGE	
O=C(NC/C=C/Cl)c1ccc(B(O)O)cc1	1640151802	MLRPYYYHHOTTLB-LZCJLJQNSA-N	239.467	-0.151	50	10	BBGE	
NC(=S)CS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883566233	HXKFPEJMCKPAEB-RFZPGFLSSA-N	242.753	-0.181	50	10	BBGE	
NC[C@H]1C[C@H]1NC(=O)/C=C/C(=O)Cl	1883647380	LQBKKDLSDVHMGF-IYTQHBPKSA-N	202.641	-0.229	50	10	BBGE	
OC[C@@]12C[C@@H]1CN(C[C@H](O)CCl)C2	1883942743	KVUJUNARAUNDFZ-HLTSFMKQSA-N	205.685	-0.100	50	10	BBGE	
N#C[C@H](Cl)CN1CC([C@@H](O)CO)C1	1887273452	LBZDIUMULQLAFM-YUMQZZPRSA-N	204.657	-0.598	50	10	BBGE	
C[C@H](Cl)C(=O)NN(C)S(C)(=O)=O	1888562220	RDPKMZDLZGAGCO-BYPYZUCNSA-N	214.674	-0.464	50	10	BBGE	
NC[C@H](CO)C(=O)NCC1CC(Cl)C1	1893509375	MLVAUWKGPGXDCK-ZUEIMRROSA-N	220.700	-0.313	50	10	BBGE	
CCn1nnc(CNC(=O)[C@H](C)Cl)n1	1894803972	YHZXSDQIBAGRBW-YFKPBYRVSA-N	217.660	-0.064	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@@]1(C)O	1896859268	FZBVMONGSRLCAP-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
CC(C)C[C@H](OCC1CN(C)C1)C(=O)NN	1899510293	PMNXAVDOSXRFFI-JTQLQIEISA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](CF)Nc1ccc(C=O)c(B(O)O)c1	1901238423	YLLLQJICVBCIJA-ZETCQYMHSA-N	225.028	-0.051	50	10	BBGE	
CC[C@](C)(CN1CC=C[C@H](O)C1)C(=O)NN	1902718888	ABGYSPMCMQQNHO-GXSJLCMTSA-N	227.308	-0.375	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CCC2)C1	1914563861	XRNYFDGPNFPDJF-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)CC(C)(C)C(=O)NN	1916840014	WMZJKRTWCYVSFE-SSDOTTSWSA-N	230.312	-0.931	50	10	BBGE	
NNC(=O)CN1CC[C@]2(CCC[C@@H]2O)C1	1918418102	AHWXUDVCEVYYHX-WCBMZHEXSA-N	213.281	-0.787	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H](CCO)C(F)F	1918551253	QVOLYLJVICMRBJ-RRKCRQDMSA-N	249.213	-0.081	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCCO)CCCO	1922184790	KSNLUCDWVLIDAH-JTQLQIEISA-N	247.339	-0.788	50	10	BBGE	
CCC(=O)NCC(=O)NNC(=O)C(F)(F)F	1923436733	NIOCVJXFRZERSL-UHFFFAOYSA-N	241.169	-0.778	50	10	BBGE	
CC(F)(F)C1(CNC(=O)C(=O)NN)CC1	1926801246	ZCMLJAZHXBDXAT-UHFFFAOYSA-N	221.207	-0.472	50	10	BBGE	
O=C(NCB(O)O)N1C[C@H]2CCC[C@H]2C1	1927958525	DPGDWHTZZGQYLC-OCAPTIKFSA-N	212.058	-0.560	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H](O)CF)[nH]1	1930538258	HUIWNEXWRPBQAO-SCSAIBSYSA-N	235.650	-0.813	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2[C@H](O)C[C@H]2C1	1931420283	TULKACAJMNEZCH-RRKCRQDMSA-N	225.697	-0.175	50	10	BBGE	
CO[C@H]1CCCCC[C@@H]1NC(=O)C(=O)NN	1935959865	KXWSFKXBFQIDIM-YUMQZZPRSA-N	229.280	-0.560	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	1936085017	PBJJSSDKWLTBRZ-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
CCCCN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936093797	HOSMYBVIHQZLAO-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
N#CC1(O)CCN(CCOCC(=O)O)CC1	1936529883	OFUUSNNXPXRIEE-UHFFFAOYSA-N	228.248	-0.562	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940089196	ZNYXCPMORTYNHC-UYXSQOIJSA-N	223.276	-0.519	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(CC(F)(F)C(=O)NN)C[C@@H]21	1940894290	TVNHIHFMNYMVMM-JIGDXULJSA-N	248.277	-0.897	50	10	BBGE	
CCNC(=O)CN(CC)CC1(C(=O)NN)CC1	1945884647	USKFVEYABJDPQG-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
COc1cncc(OC)c1[C@H](N)[C@@H](O)C#N	1952956560	LXJLYALSOIIQPT-QUBYGPBYSA-N	223.232	-0.017	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C[C@H]1C	1957005281	KUHJCKMEIJFHNA-GJMOJQLCSA-N	201.270	-0.669	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCl	1957175548	QPCMMUYMBOXYCI-RITPCOANSA-N	240.712	-0.244	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@](N)(CO)C1	1957243562	YPVBLPNPSHSYEG-DTWKUNHWSA-N	217.700	-0.097	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@@H]2CNC[C@H]21	1957255824	IZOBQQYBJVERJV-DJLDLDEBSA-N	215.684	-0.210	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1957675148	NSUOSBZPJAMKEB-ANRSDYALSA-N	233.337	-0.935	50	10	BBGE	
CCCOC[C@H]1CCCN1CC(=O)NN	1958305173	BAUJXEYXNOXPLW-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
Cc1nc(Cl)ncc1C(=O)NNC(N)=S	1961180934	QYMXTAQLCAQTOX-UHFFFAOYSA-N	245.695	-0.084	50	10	BBGE	
CCCN(C)c1nc(C)ccc1B(O)O	1961717428	AGZWXEMKOOIUDL-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
O=C(NCCOC1CC1)c1cccc(B(O)O)c1	1963590137	DCYNUTXZNQTOTD-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	1976901567	CMOXPUCOHYFISQ-XCBNKYQSSA-N	248.710	-0.157	50	10	BBGE	
Cn1nccc1[C@@H]1CCN(CC(=O)NN)C1	1981087972	GDPAALCJTQLKRO-MRVPVSSYSA-N	223.280	-0.801	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@]1(C)CCOC1	1982705741	WBDCTJKMPTUTLL-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1ccc(B(O)O)cc1	1987767831	AIJJYAXGKFSXHU-KCJUWKMLSA-N	222.049	-0.220	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)C(=O)N1CCNCC1	1991432771	MRQYVLGNCJNNSD-JGVFFNPUSA-N	245.710	-0.838	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)[C@H]3C[C@H]3Cl)C2)N1	1991695269	ZAZAGGYNGLTHRX-PJKMHFRUSA-N	243.694	-0.102	50	10	BBGE	
NC1(CO)CCN(C(=O)/C=C/C(=O)Cl)CC1	1991701801	LSXGNAKBILMXME-OWOJBTEDSA-N	246.694	-0.380	50	10	BBGE	
Cc1ccccc1C(=O)NCC#CB(O)O	1992167829	QJGOQPGIKZEWKT-UHFFFAOYSA-N	217.033	-0.260	50	10	BBGE	
CCOC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1996026725	MGKKZOFTUFNSTK-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCCCNC1=O	2004249417	KJNZHOBKQSLDPU-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1c1ccnn1C	2004397881	AZKPRCDLFPGYBN-SCZZXKLOSA-N	237.307	-0.065	50	10	BBGE	
C[C@@H]1C[C@H](N(C)c2ccc(B(O)O)cn2)CO1	2004916489	MATOOZGXGAYCQA-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
C[C@H]1COCCCN1c1ccc(B(O)O)cn1	2004916958	RZLJXXPRWZUHGM-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(O[C@@]2(C)CCOC2)ccc1B(O)O	2004924547	DBYHTQFJPRQEDE-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
CCC[C@H]1CCN1c1ncc(B(O)O)c(C)n1	2004975342	XOZSPZNYXLWXST-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
Cc1cnc(N2CC3(CC3)CO2)c(B(O)O)c1	2005018073	ODCOIIVBZDLCHY-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
Cc1ncc(C(=O)N[C@@H]2CCC=C2B(O)O)o1	2020055677	DEPGWGUKNLOSNZ-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
Cc1ncnc(Sc2ccnnc2)c1B(O)O	2022100285	YDZGEWSEFSUBSJ-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
O=C(NCCC(F)F)c1ccccc1B(O)O	2022196868	SXVPQNRDYGNFCA-UHFFFAOYSA-N	243.018	-0.249	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]1C1CC1	2022350860	DGLPQZHSQDSBNP-NXEZZACHSA-N	233.076	-0.426	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCc2nnccc2C1	2043020419	SUBLYUNBVDRPSA-NSHDSACASA-N	249.318	-0.007	50	10	BBGE	
Cc1nc(N2CC3(CCCC3)C2)ncc1B(O)O	2052559175	YSRNESKHNOXDEU-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
CCCOc1cnn(-c2ncc(B(O)O)cn2)c1	2052604661	XLHGKFGUANMCON-UHFFFAOYSA-N	248.051	-0.869	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(B(O)O)c1C#N	2060206204	QWCUIHUGKJQTEF-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CCc1cc(C#N)cc(B(O)O)c1C=O	2060241207	XZWBIVDQUSMZLY-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@H]3C2)c1B(O)O	2068130583	ZIKJNMVYRYTQAI-ZJUUUORDSA-N	247.107	-0.299	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCn2nccc2C1	2076077335	XQZXVJLBKWDIGI-VIFPVBQESA-N	249.079	-0.870	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@@H]1COC2	2077831614	XXKFSVQCIBLMTR-AOOOYVTPSA-N	248.091	-0.481	50	10	BBGE	
C#C[C@@H]1CCN1Cc1cccc(B(O)O)c1	2211132325	LGCBYKDZUJPZLT-GFCCVEGCSA-N	215.061	-0.426	50	10	BBGE	
C[C@H]1CC[C@H]1CN(C)CCOCC(=O)NN	2211401115	WFTOMOCWWGSBKW-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1CSC[C@@H]1Nc1cc(B(O)O)ccn1	2212611022	SVBHJIBHWSYEHL-APPZFPTMSA-N	238.121	-0.075	50	10	BBGE	
CCn1ccn(C[C@@H]2CC[C@@H]2C(=O)NN)c1=O	2215771601	IXRBCCSLBRCBGO-IUCAKERBSA-N	238.291	-0.314	50	10	BBGE	
CC(C)NCCCOc1ncccc1B(O)O	2217182968	FDETVZWHKVPJQQ-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
Cc1cnc(O[C@@H]2CC[C@@H](N)C2)cc1B(O)O	2217185657	ZXCCGLFSYXUZDW-RKDXNWHRSA-N	236.080	-0.672	50	10	BBGE	
CC(C)[C@H](O)CCNc1ncccc1B(O)O	2217203356	TYEBRYRBHUFHSA-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCC[C@H]1O	2220071411	HNSPCFXFAJOCNT-QWHCGFSZSA-N	249.119	-0.288	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2CC[C@@H]2C)n1	2220614114	VWZZPENQCZBDFV-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@@H]2CC[C@@H]2C(=O)NN)c1	2221565197	BMCQWEAEYUWZBD-UWVGGRQHSA-N	246.270	-0.264	50	10	BBGE	
CN(C1CC1)C1CN(c2cc(B(O)O)ccn2)C1	2223626449	HYTVRJHMHFKGGY-UHFFFAOYSA-N	247.107	-0.956	50	10	BBGE	
CCCN1CC[C@H](Nc2ncccc2B(O)O)C1	2223636435	JMMFGNXKLQLFGV-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
CNC1CCN(c2cc(B(O)O)c(C)cn2)CC1	2223639396	DDAXKURBWDFKKG-UHFFFAOYSA-N	249.123	-0.742	50	10	BBGE	
COCCN(CCC#N)c1ccc(B(O)O)cn1	2223651180	AUDZKHISGGUFTO-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
CN1C[C@@H](Nc2ncccc2B(O)O)CC1(C)C	2223670968	GCQIKOLTKRPTGQ-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@H]3OCCC[C@H]23)c1	2223672273	SWCOLHRJQMXBKZ-FOGDFJRCSA-N	248.091	-0.402	50	10	BBGE	
N#C[C@@H]1CCCN(c2ncc(B(O)O)cn2)CC1	2223676782	FXYPECIHXPZGLV-SECBINFHSA-N	246.079	-0.714	50	10	BBGE	
COCC(COC)ONS(=O)(=O)CCl	2241527598	DJEGORWTQTVLAI-UHFFFAOYSA-N	247.700	-0.305	50	10	BBGE	
OC[C@@H](O)[C@@H]1CCN1CCOCCCl	2241811095	LQVNDNDUJQHRFI-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
O=C(N1CCC[C@@H](O)C1)C1(B(O)O)CCC1	2243348014	SDZIPDIEPLERSY-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(B(O)O)s1	2243348935	CLBUKLHFLFJZLW-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)C(=O)C#CB(O)O	2243356283	FEGKGVAYADOMRS-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)c[nH]1	2243361872	IMZTUCNCRVWLGB-UHFFFAOYSA-N	226.041	-0.892	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243363318	FARNHQDIKCVEBL-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1=O	2243391479	LCBRZKCFUWACFK-FXQIFTODSA-N	225.053	-0.366	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)C#CB(O)O	2243400020	UTIGLGLZIWGXGR-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C=C(C)C(=O)N[C@H](C)c1nscc1B(O)O	2243668433	OWFNFOHALATMAH-ZCFIWIBFSA-N	240.093	-0.424	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)co1	2244222769	WIAHPFFRXCJFTE-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
N[C@H]1C[C@H](Oc2cc(B(O)O)c(Cl)cn2)C1	2245912643	DPRZXFHINNBVEJ-IZLXSQMJSA-N	242.471	-0.717	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]3C2)ncc1Cl	2245913540	TVBAPIFLKSCSHH-BQBZGAKWSA-N	238.483	-0.129	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CC[C@@H](O)CN2)CC1	2246497829	QJHLETBKKNFLFS-MNOVXSKESA-N	235.287	-0.218	50	10	BBGE	
C=C1CC(CO)(Nc2ncccc2B(O)O)C1	2246894791	FSSBQPIPZMOQCC-UHFFFAOYSA-N	234.064	-0.746	50	10	BBGE	
COC[C@@H](OCC12CC(C)(CO1)C2)C(=O)NN	2247415958	HELXZRQBTCSSLI-MFAVDMRSSA-N	244.291	-0.423	50	10	BBGE	
CC(C)(F)CCNC(=O)c1ccoc1B(O)O	2247741504	BAIDCPQPTHAGAC-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
CC(C)[C@@](C)(CN)NC(=O)C1(B(O)O)CCC1	2247756599	OEUSWAUOFPTVOX-SNVBAGLBSA-N	242.128	-0.127	50	10	BBGE	
CC(C)[C@@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786372	ZNUJOGGTWDENMM-BBBLOLIVSA-N	243.112	-0.380	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C(=O)[C@@H]1C	2247791893	PLLOPCGCBMFPBK-BGZDPUMWSA-N	239.080	-0.120	50	10	BBGE	
O=C(NC[C@]1(F)C[C@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2247793723	ZNXBQBQFQZIQKR-BDNRQGISSA-N	245.059	-0.924	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCOC[C@H]1F	2247799292	BORMLCORVSLUHL-BZNPZCIMSA-N	245.059	-0.565	50	10	BBGE	
NCc1ccccc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247807758	RXBRKGLKKYACDM-BDAKNGLRSA-N	234.064	-0.053	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C(=O)[C@@H]1C	2247809483	PLLOPCGCBMFPBK-FNCVBFRFSA-N	239.080	-0.120	50	10	BBGE	
N#Cc1cc(F)cc(NC(=O)C#CB(O)O)c1	2247846675	KKLLHHJQFFGBSM-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)C1)[C@H]1C[C@@H](B(O)O)C1	2247858091	ARBMBNJQEHLQBR-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
CCN(CC)C(=O)c1cn(CC)c(B(O)O)n1	2247868824	YSHSMSAMWGUXPH-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
Cc1cc(C(=O)NCC2(F)CC2)oc1B(O)O	2247876419	OYJMUTBIOMVFPW-UHFFFAOYSA-N	241.027	-0.500	50	10	BBGE	
NC[C@]1(F)C[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247877291	FSZOCEQTOMSWFB-OTSSQURYSA-N	244.075	-0.813	50	10	BBGE	
O=C(N[C@H]1CCCCNC1)[C@H]1C[C@@H](B(O)O)C1	2247893433	RPEUZLXDIKXSON-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896563	ZSANOUNXQXXXMA-UTINFBMNSA-N	243.112	-0.095	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248242920	NBNIYTJHZKVANV-IYSWYEEDSA-N	238.027	-0.505	50	10	BBGE	
C#CCCC(=O)NCc1cccc(B(O)O)c1	2248415001	SYXZXFISSXUTSL-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H](C)C(=O)O	2248579116	XTQATXXUTRTWPK-RQJHMYQMSA-N	243.068	-0.391	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@@]3(C)C2)oc1B(O)O	2255573536	OKFIKMZLRKIDQH-PELKAZGASA-N	249.075	-0.250	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C1CC1	2255734959	KHIZQWHCPMUVGX-VHSXEESVSA-N	248.091	-0.767	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@@H]3C[C@H]32)c(B(O)O)c1	2255788807	WFAMEPABOMCGSO-PSASIEDQSA-N	246.075	-0.696	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cc1O)C1CC1	2255931823	RBZFAPUGERWPJP-ZETCQYMHSA-N	249.075	-0.400	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)co2)C1	2258131944	ATOGJUQLYHYGMZ-PSASIEDQSA-N	247.059	-0.509	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cocc1B(O)O	2258137107	SAZQUZDZUJGXLW-DKCNOQQISA-N	249.075	-0.122	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298369909	IQPZZXRFDYHZON-MBXMOIHESA-N	238.096	-0.813	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CCOC2)cc1B(O)O	2301423353	RKIXLROKRANQDV-SNVBAGLBSA-N	235.048	-0.620	50	10	BBGE	
OB(O)[C@H]1CCN(CCOC2CCOCC2)C1	2303106519	SSDXJXJQCOFLGR-JTQLQIEISA-N	243.112	-0.269	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](C(N)=O)C1)C(=O)NN	2303410748	PDMDZVMVGASQGO-LDYMZIIASA-N	242.323	-0.800	50	10	BBGE	
C[C@H](O)C1(Nc2cc(B(O)O)c(F)cn2)CC1	2303847400	IRUJGVVFLWQURB-LURJTMIESA-N	240.043	-0.774	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3ccnc(B(O)O)c3)C[C@H]12	2308839423	SRBPRTUJKSFTIW-VMAXQDLPSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@H]21	2312517064	PYVGVPQPAWVSNK-HQPKYVJOSA-N	249.314	-0.131	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2313081248	HLBALSONWCXULB-ZQNVIIHSSA-N	247.059	-0.560	50	10	BBGE	
N#CCCC1CN(C(=O)c2ccoc2B(O)O)C1	2315981480	YABAKUVBMMNYSP-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
NC(=O)NN=C(CO)c1ccc([N+](=O)[O-])o1	5843227	WQKNUJXZXQMAKZ-UHFFFAOYSA-N	228.164	-0.448	50	10	BBGE	
NC(=O)[C@@H]1CCCCN1C(=O)NC(=O)CCl	42407357	ZVNVUVSWBXQKPR-LURJTMIESA-N	247.682	-0.199	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCCN(C)C1)C(=O)NN	82471106	DYSQRVVLZNYQQS-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NOCC(N)=O	160363463	VLHXTYZSUFRUAX-YFKPBYRVSA-N	244.700	-0.802	50	10	BBGE	
N[C@H](C(=O)N1CCC[C@H]1B(O)O)c1ccccc1	169987538	JCKSFPAAENVYOQ-QWRGUYRKSA-N	248.091	-0.311	50	10	BBGE	
COC(=O)/C(=C/NC(=O)CCl)C(C)=O	211610014	NGQUMNBSBFLIMD-GQCTYLIASA-N	219.624	-0.013	50	10	BBGE	
CCC[C@@H](O[C@@H]1CCOC1)C(=O)NN	211802296	KFTXXWXLSOPDRT-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CN)C1	216473835	RYQXTWIJDMXIGT-DTWKUNHWSA-N	214.313	-0.719	50	10	BBGE	
CSC1CCC(NC(=O)C(=O)NN)CC1	235137679	PHDXFPUVVQEVMK-UHFFFAOYSA-N	231.321	-0.233	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC([C@@H](C)O)CC1	235247915	PDGIQWMTIIEWRP-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CCN1CCN([C@@H](COC)C(=O)NN)C[C@H]1C	300021459	VBQIMSVUWGJZOY-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H]1CN(C)CCCN1[C@H](C)C(=O)NN	300355825	SNHDVRKSBOSFRM-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CCC(=O)NN	306903095	IKAGWFNBEQYUJC-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCCCn1ccncc1=O	308987808	VBDFOFAFRVWCLO-UHFFFAOYSA-N	210.237	-0.597	50	10	BBGE	
N=C(N)NC(=O)NCCC[C@@H](Cl)C(=O)O	309007873	VJJMHCNXOFYXLW-SCSAIBSYSA-N	236.659	-0.349	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=N[C@@H]2CC[C@H]2O)[nH]1	378731435	KZHVXAFUWJKFRA-HSUXUTPPSA-N	243.698	-0.059	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@@H]1CCOC1	379892272	BARIUTKIYFMMCT-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
OB(O)c1ccc(F)cc1[C@H]1CCCNC1	381017533	VEAURTOYBKWPLX-QMMMGPOBSA-N	223.056	-0.028	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N(C)C)C1	382324158	CDKLXOVVPWNLJF-MRVPVSSYSA-N	200.286	-0.999	50	10	BBGE	
NNC(=O)CN1CCC[C@H](N2CCCC2)C1	382576357	OBURUJNOHPVAGA-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@@H](C(=O)NN)C(C)C)C1	383700926	SEWCTPJYKGCCJF-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
CCCC1(O)CN([C@H](C)[C@H](C)C(=O)NN)C1	384148789	OTFPUBNQDMQDDE-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](O)(COC)/C(C)=N/NC(N)=O	389009954	JFJZQAAYTQTHIR-VSBFRKNKSA-N	203.242	-0.182	50	10	BBGE	
Cc1nc(Cl)c(=NNC(=O)C(=O)O)[nH]c1C	390362680	SHBRBWWUOBUNLI-UHFFFAOYSA-N	244.638	-0.304	50	10	BBGE	
CC(CO)(CO)CNS(=O)(=O)CCCl	393896916	NXRDARNPULMIAU-UHFFFAOYSA-N	245.728	-0.865	50	10	BBGE	
COC(=O)Cc1nc2cc(B(O)O)ccc2o1	396123573	XCUXQQVDQWROBM-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
COC(=O)c1cc(CC(C)=O)ccc1B(O)O	396140421	WGHDEYWTMIQYOX-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@H]1O	399925757	QXSMKGSYQPCKJF-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CC[S@@](=O)NCc1ccc(B(O)O)s1	404860753	VCCPVYXMPSZREU-CQSZACIVSA-N	233.123	-0.799	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ccoc1	404922369	WLEZPAMMTKRGCR-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1[C@@H]2CCC[C@@H]12	405002729	MYQXWJWHPBFQLH-RKDXNWHRSA-N	246.075	-0.254	50	10	BBGE	
C[C@H]1COC[C@H]1C(=O)NNC(N)=S	606277596	NYGZYVBSTISUPB-CRCLSJGQSA-N	203.267	-0.867	50	10	BBGE	
Cc1nc(CN2CCC(O)(C#N)CC2)n(C)n1	687820343	GAGNRHQMTLEZQK-UHFFFAOYSA-N	235.291	-0.026	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3CC[C@H]3C2)O1	688272282	MCJQVYDPKKKGMA-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
CN(C)NC(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1	693048690	CRJYEVWTTXQTQR-KNVOCYPGSA-N	215.253	-0.032	50	10	BBGE	
CN(C[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)C(=O)NN	693397933	NPRGIAGYKDPZIT-KVSKUHBBSA-N	247.245	-0.274	50	10	BBGE	
CN1CCCC[C@@H]1CCn1ccc(B(O)O)n1	694274929	GJQLCFLPJGEKJD-SNVBAGLBSA-N	237.112	-0.563	50	10	BBGE	
CC(C)COCCn1ccc(B(O)O)n1	694277950	WUELEFATMYYULY-UHFFFAOYSA-N	212.058	-0.765	50	10	BBGE	
NNC(=O)c1cccc(CN2CC3(COC3)C2)n1	697145098	VJQRZPTTWVYPSO-UHFFFAOYSA-N	248.286	-0.483	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C(=O)CCl)C1	700651380	BQDVZCPAQLVKFO-RXMQYKEDSA-N	205.645	-0.506	50	10	BBGE	
CNNC(=O)[C@H]1CCCCS1(=O)=O	704644435	KOXIOIGBTAPZKE-ZCFIWIBFSA-N	206.267	-0.796	50	10	BBGE	
CN1CCO[C@H](CN(C)C[C@H](O)CCl)C1	707853549	FGIMTTILGWANRM-ZJUUUORDSA-N	236.743	-0.152	50	10	BBGE	
CN(CCCF)CCn1cc(C(=O)NN)nn1	716689086	FHEKPZMXMRRNHI-UHFFFAOYSA-N	244.274	-0.827	50	10	BBGE	
CC(C)(CCN1C[C@H]2COC[C@H]2C1)C(=O)NN	718167948	UUABNRRUECNNGN-AOOOYVTPSA-N	241.335	-0.029	50	10	BBGE	
Cc1cn(C)nc1COc1cccc(B(O)O)c1	723954025	LNARVWDLYQVHAS-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
ClCc1c[n+](CC2=NC[S+]=C2)n[nH]1	725565171	BYQAKSMWLQNBEG-UHFFFAOYSA-O	216.697	-0.267	50	10	BBGE	
CCCCNC(=O)NNC(=O)CC(=O)NC	772407016	NDBUZOAWICWLNZ-UHFFFAOYSA-N	230.268	-0.747	50	10	BBGE	
COc1cccc(NNC(=O)CC(N)=O)n1	781023878	MFAVMRXJIWMKKI-UHFFFAOYSA-N	224.220	-0.591	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(F)CC1	830758385	BVNWLHLKKIBPGL-LURJTMIESA-N	246.238	-0.022	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1cccn1C	900002942	ZNZUNVNLBZSVTI-AZVKUDOFSA-N	237.259	-0.277	50	10	BBGE	
C[C@H](CO)CN1C[C@H](Cl)C(=O)NC1=O	952999652	ULKCWMMLRTVRPT-WDSKDSINSA-N	220.656	-0.226	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1NNC(=O)N1C	953028896	YAVZULHOAHYUDN-UHNVWZDZSA-N	220.660	-0.784	50	10	BBGE	
CC(C)OCC(=O)NNC(=O)c1ncccn1	1130013230	FODHGDIRKDFNCO-UHFFFAOYSA-N	238.247	-0.337	50	10	BBGE	
COC(=O)N(C)NC(=O)CCc1cnn[nH]1	1157409845	RTIFYQIUPWKCRO-UHFFFAOYSA-N	227.224	-0.533	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C/[C@@H]1CCOC1	1292257774	JGQDYPIVSYFKHM-MPJRPATESA-N	227.264	-0.119	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1nnc(N)o1	1296816690	YCSUOGSFGWLQDO-AATRIKPKSA-N	237.219	-0.288	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C\c1cnccn1	1324684080	MNXNYRHXOKASPM-ARJAWSKDSA-N	235.247	-0.208	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)c1ncon1	1456595422	XDDOAXBQNMXQLA-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)c2ncon2)C1	1539050968	MOHQNYZRGIBQMM-WDSKDSINSA-N	240.219	-0.744	50	10	BBGE	
CN(NC(=O)c1cccc(C#CCO)c1)C(N)=O	1623316229	MSNWUMJGBCPBBG-UHFFFAOYSA-N	247.254	-0.314	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1nc[nH]c2nccc1-2	1625912767	SDYICFJMOHGELP-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
NCC(CN)NC[C@H]1C[C@@H]1Br	1880435659	DYQSPFIXKGXSFA-VDTYLAMSSA-N	222.130	-0.355	50	10	BBGE	
CC1(C)C[C@H](O)[C@@H](O)CN1C(=O)CCl	1887702904	CQMUBUHCUCHVEJ-BQBZGAKWSA-N	221.684	-0.042	50	10	BBGE	
CC[C@H](CN1CC[C@@H](B(O)O)C1)OC	1891493748	XNKHEKGQKVAKCH-RKDXNWHRSA-N	201.075	-0.040	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCOC[C@H]1CO	1893452935	JJUCPPCIRSQCNP-BWZBUEFSSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CCN(C)C1=O	1894139722	JTOPVMDKAOVWGB-LURJTMIESA-N	228.252	-0.961	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@H]1F	1897233857	OTYGYDYRUPLTQO-HTQZYQBOSA-N	226.016	-0.574	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1F	1898838306	DNCKDYNKBITZLE-RULNZFCNSA-N	231.032	-0.955	50	10	BBGE	
C#C[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	1901248855	MZIIIFXFJBPCKC-MRVPVSSYSA-N	218.017	-0.421	50	10	BBGE	
C[C@H](C(=O)N1CC[C@](C)(B(O)O)C1)N(C)C	1902521496	HYZUSXOIAWPZKT-SCZZXKLOSA-N	228.101	-0.598	50	10	BBGE	
CC=C1CN(c2cc(B(O)O)c(F)cn2)C1	1903010021	LAYSQDRPAYYJGT-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CC[C@@H]1C(=O)O	1905480905	LGHCQDIZZJDXKS-WDSKDSINSA-N	201.226	-0.375	50	10	BBGE	
C[C@]12CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@]1(CO)C2	1906338955	GGDKBPOPDTYVDN-QCMRWSPLSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2CCCN2C1=O	1906993583	HYONMECCBJUSOM-RQJHMYQMSA-N	240.263	-0.819	50	10	BBGE	
C[C@H](Cn1cc(F)ccc1=O)C(=O)NN	1912263619	CFAYWILDJVXADI-ZCFIWIBFSA-N	213.212	-0.387	50	10	BBGE	
COC1CC(N(C)C[C@H](C)C(=O)NN)C1	1914814194	NBDBCYDBWJIGHQ-UEJVZZJDSA-N	215.297	-0.278	50	10	BBGE	
CN(CCCCO)C[C@@H]1C[C@@H]1C(=O)NN	1927918579	VCLGKPSCIASRIL-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)[C@@H](C)CCO1	1929658961	GZQCYEXRICFBJU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](F)C2)CC1	1931258976	JUEFALNABADWGC-ZETCQYMHSA-N	201.245	-0.200	50	10	BBGE	
C[C@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1	1931268792	KZGPWABLRLCMJC-ZETCQYMHSA-N	211.265	-0.375	50	10	BBGE	
Cc1cccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1936084635	UOSXKSOESJPSPU-RKDXNWHRSA-N	221.260	-0.217	50	10	BBGE	
CCO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088038	JCYOGNRNRKRYKA-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
COCC1(N(C)C[C@H]2C[C@H]2C(=O)NN)CC1	1936095209	VAXBCOOLENATCX-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]23CC[C@]2(COC3)C1	1937255563	YMKWTYFCECVBDJ-FBIMIBRVSA-N	225.292	-0.523	50	10	BBGE	
O=C1CN(C[C@H]2[C@H]3COCC[C@@H]32)CC(=O)O1	1937577389	PFWDNZVQRWKMPO-HLTSFMKQSA-N	225.244	-0.346	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1N(C)C	1941083712	SSKUFWLKWNSCKE-LMLFDSFASA-N	240.351	-0.506	50	10	BBGE	
CO[C@H](CN1CC(=O)OC(=O)C1)[C@@H]1CCOC1	1945090505	AVYHKYDNLRYWBC-RKDXNWHRSA-N	243.259	-0.577	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@H]2CO2)c1	1951328577	DOVZBFPFGPYYMZ-VIFPVBQESA-N	211.985	-0.717	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)CCBr	1953746242	ZDAGOOXEZYVYCU-NTSWFWBYSA-N	240.097	-0.371	50	10	BBGE	
CCN(CCCCO)[C@@H](C)C(=O)NN	1955351525	NZKLDQQXEFTRTQ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CN(CCC(C)(F)F)C(=O)C(=O)NN	1956895328	YRBCRMSZTPJPOP-UHFFFAOYSA-N	209.196	-0.520	50	10	BBGE	
CC1(C)C[C@@H](OCCC(=O)NN)CO1	1956937237	VSNRTNKRLOIOSE-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
O=S(=O)(NCB(O)O)C1CCCCCC1	1959005870	CJYSIPBCFAVMRT-UHFFFAOYSA-N	235.114	-0.359	50	10	BBGE	
NNC(=O)CCCN(C1CC1)C1COC1	1959029313	DOWSJNKGHDWRPH-UHFFFAOYSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](O)CN1CCN(C[C@@H](O)CCl)CC1	1961276669	VEZVQKXWBVQCMX-UWVGGRQHSA-N	236.743	-0.416	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ccc(B(O)O)cn1	1961776083	AZMZQNAVIWKFTG-CBAPKCEASA-N	206.054	-0.394	50	10	BBGE	
O=C(c1csnn1)N1CCC(B(O)O)CC1	1964501784	YXVBTJBCLWZAJL-UHFFFAOYSA-N	241.081	-0.383	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	1974541229	OUQSTMAFODYUSD-FNCVBFRFSA-N	213.281	-0.933	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)CCCO)CC1	1975689305	WOQIUBDDPUOELJ-UHFFFAOYSA-N	248.304	-0.951	50	10	BBGE	
C[C@H]1CC[C@@H](CCn2cc(B(O)O)cn2)O1	1977042301	OXJYENPJJGXLKG-WPRPVWTQSA-N	224.069	-0.480	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@]2(CCOC2)C1	1981046121	QFKHFESFQJGBPQ-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CC(OCC(N)=O)C1	1985798021	BKCDHVFOPBTOGI-SSDOTTSWSA-N	248.710	-0.036	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC(CF)CF	1985997665	QKKSCTJRTROOFW-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
NC(=O)NNC(=O)c1cc(O)c(O)c(O)c1	1988131179	QGDDNXAAKQJFAX-UHFFFAOYSA-N	227.176	-0.884	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCN(C)C	1990775101	RDWHTGIWKOJFOQ-UHFFFAOYSA-N	230.312	-0.963	50	10	BBGE	
C=C(CN(C)[C@@H]1CS(=O)(=O)C1(C)C)B(O)O	1992145888	OQDIRHFPVKBQDZ-MRVPVSSYSA-N	247.125	-0.938	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1c1ncon1	1997752663	POQJUUBHUBSODA-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)N1CCC1	1998341100	XNBCKYXNZKOQNI-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
C[C@@H](CN(C)CCCn1cncn1)C(=O)NN	2003823714	ARACPBQZPCVNTP-VIFPVBQESA-N	240.311	-0.774	50	10	BBGE	
Cc1ccnc(N(C)CCN(C)C)c1B(O)O	2004919383	YHVUPFDCYBUWCT-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
OB(O)c1cnccc1N1CCCC(F)(F)C1	2004929121	IVMZPKYCEBAXOD-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2C[C@@H]2C)n1	2005014555	NDTPPVCBVDXBOT-IONNQARKSA-N	235.096	-0.443	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2COC[C@@H](C2)C1	2015197943	SKGVJYXHEUOHFH-MMWGEVLESA-N	239.319	-0.419	50	10	BBGE	
COCCN(C1COC1)[C@@H](C)[C@H](C)C(=O)NN	2018182716	SQNOHVQPQQKOOM-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]2COC[C@H]21	2019213859	XANOBVXBXNAZLY-VHSXEESVSA-N	241.291	-0.736	50	10	BBGE	
CC1(C)OCCC[C@H]1C(=O)NCC=CB(O)O	2020062539	SCSDDHPCPYHXRO-VIFPVBQESA-N	241.096	-0.124	50	10	BBGE	
CC(=O)NNC(=O)CN1N[C@H]2CC[C@H]1C21CC1	2021743874	ZKMWJIJEBRNKSI-IUCAKERBSA-N	238.291	-0.715	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1cnco1	2031810950	GOGGVJYSUSYRHF-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(CCCO2)C1	2052624164	DNUMNZZTBANKMO-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
O=c1c(B(O)O)cccn1CCc1ccccc1	2058156018	OJMFQNGUPPQMRK-UHFFFAOYSA-N	243.071	-0.229	50	10	BBGE	
CCOc1c(OC)ccc(B(O)O)c1[N+](=O)[O-]	2060015581	DOAGCSSAZINIIR-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
COc1c(C=O)cc(B(O)O)cc1OC(F)F	2060325820	VPQDNZIEASUGJX-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1cc(N(C)C[C@@H]2CCN2C)ncc1B(O)O	2066395262	PKGKWNGSJZAFEA-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC[C@H]2C[C@@H]1C2	2069296742	XEBFVQPLTCZLPT-NGZCFLSTSA-N	247.107	-0.219	50	10	BBGE	
Cn1nnnc1N1C[C@H]2COC[C@@]2(CCl)C1	2210673949	KZAXVRLDRMNTRV-IONNQARKSA-N	243.698	-0.098	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](OC(F)(F)F)C1	2212389710	RAEXMAKJGSUSIG-SCSAIBSYSA-N	241.169	-0.886	50	10	BBGE	
OB(O)c1ccnc(N2N[C@H]3CC[C@H]2C3)c1	2212602672	HWLGHPRXZGGJOT-IUCAKERBSA-N	219.053	-0.993	50	10	BBGE	
OB(O)c1ccc(=NCCSC(F)F)[nH]c1	2212604023	KZPWLVKLJXUVOS-UHFFFAOYSA-N	248.063	-0.449	50	10	BBGE	
OB(O)c1ccnc(NCC2CSC2)c1F	2212604325	OBQINMLBIRCIQP-UHFFFAOYSA-N	242.084	-0.325	50	10	BBGE	
CN1CCC[C@H]1COc1ccc(B(O)O)cn1	2215829121	RNZJWOHOJOJNQC-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
Cn1ccc(CNc2cc(B(O)O)ccn2)n1	2217173486	RNGZCACMXXEUBA-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCC[C@H](O)C1	2217175990	QDAJEROITQTCIF-IUCAKERBSA-N	236.080	-0.523	50	10	BBGE	
CNCC[C@@H](C)N(C)c1ccc(B(O)O)cn1	2217181696	TUVUQEMQBCAGDV-SECBINFHSA-N	237.112	-0.804	50	10	BBGE	
CCC(N)(CC)CNc1ccc(B(O)O)cn1	2217198862	HJPVMQGNMVOMDG-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)CC(F)F	2217202912	MXUYFPIDZIBKTC-SSDOTTSWSA-N	244.050	-0.114	50	10	BBGE	
CCCN1CC(Nc2cc(B(O)O)c(C)cn2)C1	2223642242	HBTIOEPDGKHNIC-UHFFFAOYSA-N	249.123	-0.424	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1nccc(B(O)O)c1F	2223645324	VPQHCMKADZWDRG-JTQLQIEISA-N	248.066	-0.252	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@H]1F)N1CC(Cl)C1	2241353454	HJVQFYZPUIKPEE-PHDIDXHHSA-N	228.676	-0.146	50	10	BBGE	
CC[C@@]1(NS(=O)(=O)CCl)CCNC1=O	2242174401	XNIFTGQOCOGQDH-SSDOTTSWSA-N	240.712	-0.229	50	10	BBGE	
C=C1CN(C(=O)c2nc(C)sc2B(O)O)C1	2243362403	QKCUJPXBLHUKAH-UHFFFAOYSA-N	238.077	-0.857	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)NC(=O)C1(B(O)O)CC1	2243364222	SXEONWMVJJUCTH-IONNQARKSA-N	227.069	-0.323	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C1(B(O)O)CC1	2243364394	WRALDAXBOFMCRB-QKCLAQEOSA-N	221.065	-0.236	50	10	BBGE	
C[C@](CN)(NC(=O)C1(B(O)O)CC1)C1CC1	2243365553	OGERAOPXVQTBJM-SECBINFHSA-N	226.085	-0.763	50	10	BBGE	
CC(C)CNC(=O)c1cc(B(O)O)cn1C	2243366365	BERWKUWJQSHZNI-UHFFFAOYSA-N	224.069	-0.909	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243373995	VQXCJHQJZFGVPA-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
C#CCNC(=O)c1cccc(B(O)O)c1C	2243374598	HIZIPXJYXRQCTC-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
C=C(C)CN(C)C(=O)c1csnc1B(O)O	2243377857	IEAGTQUUIDMLER-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243391762	NZEVYAHCBJQBBP-XGEHTFHBSA-N	227.069	-0.921	50	10	BBGE	
NCCC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243395666	ANQKFCKGMMFZAM-PEBLOWIWSA-N	226.085	-0.907	50	10	BBGE	
CCC[C@H](COC)N(C)C(=O)C#CB(O)O	2243400689	GKLNMTLDOUTAGL-SECBINFHSA-N	227.069	-0.725	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](F)C[C@H](F)C1	2243404954	XHBPRGXRMHFFGK-HSNKUXOKSA-N	233.023	-0.242	50	10	BBGE	
CC(C)(CCN)NC(=O)C1(B(O)O)CCC1	2243411549	WBZSYUYZAVCVIG-UHFFFAOYSA-N	228.101	-0.373	50	10	BBGE	
O=C(NCc1cnns1)[C@H]1C[C@@H](B(O)O)C1	2243415032	MXUVFFUSJUWUKE-OLQVQODUSA-N	241.081	-0.593	50	10	BBGE	
N#CCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243426437	IFAWFFAHBBCRQQ-YUMQZZPRSA-N	222.053	-0.341	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2243753402	UQURWNFPLHQHCO-AHXFUIDQSA-N	229.041	-0.781	50	10	BBGE	
OB(O)c1cc(N2CC(F)(F)C2)ncc1Cl	2245913400	QVZBUOAHENSXNJ-UHFFFAOYSA-N	248.425	-0.130	50	10	BBGE	
COC[C@@H](C)Oc1nc(OC)ccc1B(O)O	2247230833	MDRWJZDIQCZAGM-SSDOTTSWSA-N	241.052	-0.816	50	10	BBGE	
COC1(COc2ncc(B(O)O)cn2)CCC1	2247356160	ACMBACAJAZVREN-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@@H]1O	2247736252	TUSLPGGUSCZZCI-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccncc1B(O)O	2247736367	VOHXEZJUUGGJBR-MRVPVSSYSA-N	234.064	-0.687	50	10	BBGE	
O=C(N1CC[C@H]2CNC[C@@H]2C1)C1(B(O)O)CC1	2247753789	CPMCWEMTFJROPZ-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2247754644	GYRVVCVGTHILON-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
N[C@]12CC[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2247754916	NULWYICKUSCXIM-KWQFWETISA-N	238.096	-0.667	50	10	BBGE	
CC(C)C(C)(C)NC(=O)c1cc(B(O)O)n[nH]1	2247784204	QTPNNAVNDVKOEX-UHFFFAOYSA-N	239.084	-0.746	50	10	BBGE	
C[C@@](O)(CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247786431	APFXBDCCUYLVQX-POZPLHJXSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2CC1(CO)C2	2247787856	VTRKKSAQRURPMH-SNWHPCCYSA-N	239.080	-0.777	50	10	BBGE	
CC12COC(CNC(=O)[C@@H]3C[C@@H]3B(O)O)(C1)C2	2247796531	ANISCJBFJNLLKA-NOFHBMEESA-N	239.080	-0.465	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CO)[C@H]1C[C@H](B(O)O)C1	2247798774	XCXVWWRMDVSERL-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247805779	LANGQYLIASFUKG-YDYPAMBWSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2NCC[C@@H]21	2247809254	YOGFKKXFVOXEJP-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CC1	2247853348	KTMBNIAQINIDDF-ZETCQYMHSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ccc(B(O)O)o1	2247869038	KVCVMCDDHCKDLF-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
CC(C)(NC(=O)c1coc(B(O)O)c1)C(F)F	2247872249	PHRGCIBSRYMSBH-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247897832	XGTCWOAWZXUGRJ-SFYZADRCSA-N	237.068	-0.162	50	10	BBGE	
O=C(NCCC1CCNCC1)[C@@H]1C[C@H]1B(O)O	2247898553	FNBQDWCOCZTHCD-NXEZZACHSA-N	240.112	-0.645	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247900130	UFAFTTDMFHIODS-SQXHDICFSA-N	238.096	-0.813	50	10	BBGE	
C#CCN(CC(F)F)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247903813	NDAASMOWAGCLCO-OCAPTIKFSA-N	245.034	-0.034	50	10	BBGE	
CC(C)(CCNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248573482	FKXUSRSVULWQAW-RNFRBKRXSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)C[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1	2248576125	DVFFDOTZXYGUKH-LJGSYFOKSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)C1(NC(=O)C2(B(O)O)CC2)CCCC1	2248586223	XPXNFPDEQDOQON-UHFFFAOYSA-N	241.052	-0.493	50	10	BBGE	
CC(C)(C)C[C@H](NC(=O)C#CB(O)O)C(=O)O	2248587985	XOCNIJWNVIXHCC-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1ncccc1B(O)O	2248693285	PABQNTDFBALPEU-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1CC(F)(F)C1	2249342917	JVWNVQGUGHMPKY-UHFFFAOYSA-N	248.038	-0.004	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1cc(B(O)O)c[nH]1	2255461342	GRZXQEQECZOQGV-JTQLQIEISA-N	248.091	-0.528	50	10	BBGE	
Cc1cc(C(=O)Nn2cccc2)ccc1B(O)O	2255510674	ZCOCEZJOEWWKRM-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C[C@@H]1CCC=C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255550216	WSNGRBHDNZCUAJ-SFYZADRCSA-N	249.079	-0.826	50	10	BBGE	
CC1=CCCC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2255554020	GUKJMBSBPXSJCN-VIFPVBQESA-N	249.079	-0.682	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255671589	UAEWDIGAOCZPLC-NSHDSACASA-N	247.063	-0.930	50	10	BBGE	
N[C@H](CNC(=O)C1(B(O)O)CC1)c1ccccc1	2255691026	ALEJDIBMRCZSGC-SNVBAGLBSA-N	248.091	-0.190	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2cncc(B(O)O)c2)C1	2255710466	LBKGUVVNZDFDEO-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1cc(B(O)O)co1	2258129521	XAZCSDXUKXSBNQ-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@H]2C(=O)NN)[C@@H]2C[C@@H]21	2298167158	CEUUGYVSYXXXGY-CHWFTXMASA-N	238.335	-0.609	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@@H](CO)C2	2298370002	LFMUTUAWSZJEAN-MQIGXGKASA-N	239.080	-0.779	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC[C@H]1C[C@@H]1C(=O)NN	2300370503	KULIRFNHGRBCCP-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)CC1(O)CC1	2301866043	CTKRCXNMWRFEKA-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](F)C2=O)c1	2301878202	WQHOFNSDNTYUBJ-QMMMGPOBSA-N	241.222	-0.047	50	10	BBGE	
C=C(CN1C[C@@H](OC)[C@@H](OC)[C@@H]1CF)B(O)O	2302216281	WMTQLVLABJJWDK-AEJSXWLSSA-N	247.075	-0.762	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2302496414	KUYPOEFABJCCOS-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
CN1CC[C@H](CN2CC[C@@](C)(B(O)O)C2)C1=O	2303162495	UEFQTYZXNJRBBR-MWLCHTKSSA-N	240.112	-0.597	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C(C)C	2304249411	MMKUFRUJZHBQMO-LPEHRKFASA-N	245.323	-0.918	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306282507	CYNRNXLUGDPEMA-QHZLYTNSSA-N	241.335	-0.154	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1[C@@H]2CCO[C@@H]21	2309858951	NUTWOVGCEDQGTH-DCAQKATOSA-N	247.059	-0.660	50	10	BBGE	
C#CC[C@H](O)CNc1ccc(B(O)O)cc1C#N	2317156868	WVWSNXSVSYPUQK-NSHDSACASA-N	244.059	-0.966	50	10	BBGE	
CCCNC(=O)C(C#N)=CN1CCNCC1	2318455447	UFTNELFZYXIWPF-UHFFFAOYSA-N	222.292	-0.175	50	10	BBGE	
NNC(=O)c1cccc(Cn2cncn2)c1	82468460	OORDOOGZMLGRPR-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCCO1	82469526	MYNDSDDXLHQTMT-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCCN(CC(=O)NC)C[C@H](C)C(=O)NN	82470272	LBWOEPPEYBBHPF-QMMMGPOBSA-N	230.312	-0.930	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnn(C)c1	82470447	CCUICPYJVXNYDG-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCOCC1	86313527	OLOHPJUMLISUAD-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CCN(CC)CC(=O)NNC(=O)CSC	89994974	FKZGLJWDZNAGPA-UHFFFAOYSA-N	233.337	-0.161	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCNCC2)nc1	94763939	MZAVMOOCODCPIF-UHFFFAOYSA-N	249.318	-0.520	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CS(C)(=O)=O	136842141	DXVUFLPXAFJREL-RXMQYKEDSA-N	213.686	-0.226	50	10	BBGE	
O=C(O)CCC(=O)CNC(=O)CCl	170313755	OLKRRGAMGHYQIK-UHFFFAOYSA-N	207.613	-0.225	50	10	BBGE	
CC(C)C[C@H](NC(=S)CN)B(O)O	200438000	LXFOKSQOXOGHSV-LURJTMIESA-N	204.104	-0.711	50	10	BBGE	
O=C(C[C@H]1CCCN1)N1CCC[C@H]1B(O)O	201995866	YYTNIOPYAZSXTQ-BDAKNGLRSA-N	226.085	-0.869	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H](C)C1	211725190	SWDYFUKXYTUSKH-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NC(=O)[C@H]1CCCN1C(=O)NCCCl	213767360	QTJCYUDSNOLPPA-ZCFIWIBFSA-N	219.672	-0.116	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)CCCl	227260594	SBNGBUYHRZLCMD-RXMQYKEDSA-N	209.629	-0.735	50	10	BBGE	
O=C1CN([C@@H]2CCO[C@H]2C2CC2)CC(=O)O1	236407461	AJHQQRBEBDBALA-KCJUWKMLSA-N	225.244	-0.061	50	10	BBGE	
CN1CC[C@H](COCC(=O)NN(C)C)C1	259038195	SJVKASRFICUZRU-VIFPVBQESA-N	215.297	-0.453	50	10	BBGE	
CCNC(=O)CS[C@H](C)[C@H](C)C(=O)NN	300827356	JUDOKHMQNJQKJB-NKWVEPMBSA-N	233.337	-0.130	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)C(F)(F)F	306425018	ITVXSVUKEMLFPZ-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1COC[C@H]1O	306497544	AZJZOLNEWWFFAB-FSDSQADBSA-N	207.657	-0.263	50	10	BBGE	
C[C@H]1CN(C[C@@H](O)CCl)S(=O)(=O)C1	306524221	XTPUHHPOLHUKRJ-BQBZGAKWSA-N	227.713	-0.132	50	10	BBGE	
O=C(CBr)N1CCOC[C@@H](O)C1	306849865	NVOKXQOMPZYINV-LURJTMIESA-N	238.081	-0.399	50	10	BBGE	
O=C1NC[C@H](Br)N2CNC[C@@H]12	307063618	PTKUPPGQBIGOJH-CRCLSJGQSA-N	220.070	-0.932	50	10	BBGE	
Nc1cc2ccsc2c(N)c1B(O)O	307292155	CASARWXXUZOLGG-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
OB(O)c1cccc(O)c1Br	307556369	UIJSOPKRNVUNGS-UHFFFAOYSA-N	216.827	-0.166	50	10	BBGE	
O=C(CCCl)N1CC[C@](O)(CO)C1	313656639	QERGQTWAXNHMIN-MRVPVSSYSA-N	207.657	-0.429	50	10	BBGE	
O=C(CCCCl)N1CC[C@@](O)(CO)C1	313690132	QZERITAFYLUEQM-VIFPVBQESA-N	221.684	-0.039	50	10	BBGE	
CCN(C)NC(=O)[C@@H](C)S(C)(=O)=O	379396731	JDJINJAQLVCKGK-ZCFIWIBFSA-N	208.283	-0.598	50	10	BBGE	
Cc1cc(B(O)O)cc([C@@H]2CCCNC2)n1	390117193	CXDGFABMLKWSSH-SECBINFHSA-N	220.081	-0.463	50	10	BBGE	
CC(C)(CCSc1nc(=N)[nH][nH]1)C(=O)NN	395614568	MWMJSNXUYSSOPB-UHFFFAOYSA-N	244.324	-0.284	50	10	BBGE	
N#CCc1c(B(O)O)ccc2nc[nH]c12	396081702	CWUVGSZVNXEPPC-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OC(F)F)C1	399953622	USFRUNMQPYBOBK-LURJTMIESA-N	223.223	-0.322	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584988641	CANYCMAZJBIHKQ-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1N(C)CC(=O)NN	687453848	HIYDIHJRYCQYOR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CN1CCC[C@@H]1CCn1cc(B(O)O)cn1	692467885	KTMHPHMOOMFBNT-SNVBAGLBSA-N	223.085	-0.953	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)CC1	695085213	ANXJQMAPJIADBT-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
NC(=O)NNC(=O)[C@@H](O)c1ccccc1	700869776	YQNBJIJAHWHOBB-ZETCQYMHSA-N	209.205	-0.581	50	10	BBGE	
CC[C@H](O[C@H]1COC[C@H]1C)C(=O)NN	703542192	DLJAUKSZGWEHJK-CSMHCCOUSA-N	202.254	-0.194	50	10	BBGE	
COC1(Cn2cc(B(O)O)cn2)CCCCC1	703741732	NQKJMYYKWNHNGM-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
Cc1nc(C(=O)N2CCC(O)(C#N)CC2)n[nH]1	709280424	HOPURLRWBAFMEM-UHFFFAOYSA-N	235.247	-0.396	50	10	BBGE	
CC(=O)n1ncc2cc(C)c(B(O)O)cc21	716784363	NSHBSWXBWPSZKK-UHFFFAOYSA-N	218.021	-0.315	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1cnc(B(O)O)s1	718876364	NTIRTWZDJJFSMC-CAHLUQPWSA-N	240.093	-0.905	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C(C)(C)O)C1	721835436	GTOZYSIRLRGQBZ-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
CC[C@H](C)CC(=O)NNC(=O)[C@H]1COCCO1	790698695	ZINXEVYTVZQMBE-DTWKUNHWSA-N	244.291	-0.015	50	10	BBGE	
NNC(=O)NCCN1C[C@@H]2CCCCN2C1=O	851676078	CGGJOLJHXVNUIX-QMMMGPOBSA-N	241.295	-0.551	50	10	BBGE	
O=C(O)[C@H]1C[C@H](NS(=O)(=O)CCl)C1	871639193	WWBHVURVZLDAGV-URHBZAFASA-N	227.669	-0.035	50	10	BBGE	
C[C@@H]1CC(=O)N2N[C@@H](Br)N[C@@H]2N1	952958886	UKSBXWRUSJLTKB-PYWDMBMJSA-N	235.085	-0.733	50	10	BBGE	
NC(=O)CCCCC(=O)NNc1ncccn1	1325928928	QPVBJGKQRCRZGG-UHFFFAOYSA-N	237.263	-0.035	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1ncc(F)cn1	1446285781	QYZJFSUWZUBJQM-SECBINFHSA-N	226.211	-0.004	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1450951973	YDXCCNDOQOMWSB-YIZRAAEISA-N	243.307	-0.768	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NCCCO)cn1	1625259458	NKSNUKAFNRHSOY-BJMVGYQFSA-N	234.259	-0.174	50	10	BBGE	
Cn1nncc1C(=O)NNc1ccc(C#N)cn1	1634216287	JHMUDWJTWHTPTI-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@H]2Cl)COC1	1883645828	SLSFHFYORQBZRA-PHDIDXHHSA-N	204.657	-0.542	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1CC[C@@H]1O	1884169570	FAPZGTUHQXWWTP-BQBZGAKWSA-N	227.713	-0.085	50	10	BBGE	
C=CCS(=O)(=O)N1CC[C@H](B(O)O)C1	1891607598	XCPHBLAHYPJTKL-ZETCQYMHSA-N	219.071	-0.949	50	10	BBGE	
COCCSCc1nc(B(O)O)cs1	1891783935	TVJGGTMOJLQFLD-UHFFFAOYSA-N	233.123	-0.298	50	10	BBGE	
N[C@H](CO)c1cn(C[C@@H]2C[C@@H]2Cl)nn1	1893097997	GKQCWJRXAKKAGB-LYFYHCNISA-N	216.672	-0.103	50	10	BBGE	
O=C(NCC[C@H](O)CCO)[C@@H]1C[C@@H]1Cl	1893419030	IEDPGGGCMXHIOE-RNJXMRFFSA-N	221.684	-0.137	50	10	BBGE	
CCN(CCO)CCC[C@@H]1C[C@H]1C(=O)NN	1900529622	XVWYYQOCGXPMLO-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](COC[C@]1(C)CCN(C)C1)C(=O)NN	1901425539	MDIUPFQADQJZIC-GXSJLCMTSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1S(=O)(=O)N1CC[C@@H](B(O)O)C1	1902514866	YRMHHBRNFNXSLB-XAVMHZPKSA-N	247.125	-0.481	50	10	BBGE	
CP(C)(=O)CNc1cc(B(O)O)c(F)cn1	1903010504	QJKCYSILYDMZMS-UHFFFAOYSA-N	245.987	-0.107	50	10	BBGE	
CCc1cc(=O)n(C[C@H](C)C(=O)NN)cn1	1912237721	QSHDBBGTLNSVLP-ZETCQYMHSA-N	224.264	-0.568	50	10	BBGE	
CCN(CC(=O)NN)[C@@H]1COC(C)(C)C1	1915598342	PHONYAHQYXSSEX-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
O=C(CN1CCCC1)NNC(=O)C(F)(F)F	1923407849	JFSUAKLMCAZPSI-UHFFFAOYSA-N	239.197	-0.208	50	10	BBGE	
O=C(NNCCO)c1ccnc(F)c1F	1929835714	XBKSZVMQRPQGEY-UHFFFAOYSA-N	217.175	-0.414	50	10	BBGE	
NNC(=O)CN1CCC2(CC1)CSC2	1930633849	QBOSCWGTBFGYOZ-UHFFFAOYSA-N	215.322	-0.195	50	10	BBGE	
CC[C@@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1930891050	XSNHPJQJKSYPCI-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@]2(C)C1	1932250757	YPDJZDFMTQAVBQ-NQMVMOMDSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936086908	WYGZTRGBENPRBU-VQVTYTSYSA-N	225.248	-0.993	50	10	BBGE	
CNCCOCCN1CCC(O)(C#N)CC1	1937396215	FBUZHPNNRNJWIU-UHFFFAOYSA-N	227.308	-0.427	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)S1(=O)=O	1938257990	GNZIIOVJQFGDDJ-SSDOTTSWSA-N	247.320	-0.820	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]1O)C[C@@H]1C[C@H]1C(=O)NN	1941083437	QRGATOAXNKDDRY-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)CC12CCC2	1949817149	KAIQLPHEFSNRKG-KXUCPTDWSA-N	239.319	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)C(F)(F)C1	1955222859	NFVKXMKYHVLAFA-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NNCCO)CO1	1955379353	CRQNFXTXYGAXDZ-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
NNC(=O)C(=O)NCc1cc(Cl)ns1	1956436568	MZUNSXBTYPWLDP-UHFFFAOYSA-N	234.668	-0.597	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H](O)C1	1956710837	BJMDPXWCNXLKOX-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1957686902	QUVRYFSNVLJVBS-JGKVKWKGSA-N	209.293	-0.049	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1958212320	NBAODWBUCKRHSM-XHNCKOQMSA-N	212.297	-0.999	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N(C(=O)NN(C)C)C1	1958425203	KAYLRIAYNUEJMD-NKWVEPMBSA-N	215.253	-0.032	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC2(CCC2)C1	1959167034	GYWBDISYUAJNHS-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)CC[S@]1=O	1961553857	QHKUYGVVCKUWPS-VGZKNDNBSA-N	233.337	-0.792	50	10	BBGE	
CC(C)(F)[C@](C)(F)CNC(=O)C(=O)NN	1961811079	JACDSEOKNMXIOY-MRVPVSSYSA-N	223.223	-0.431	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1C(F)F	1974584635	YXECJIFLIQKZGT-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNCc2nccn2C1	1978064472	AGIKZKMOSAXWJQ-MRVPVSSYSA-N	223.280	-0.805	50	10	BBGE	
O=C(NNCCO)c1ccn2ccnc2c1	1978926187	XFNSUIFDTLEZCT-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2OCC[C@H]2C1=O	1981251616	HWKUFPXHDNIAQA-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
CCC[C@@H]1CCN1c1ncc(B(O)O)cn1	1981410204	XBYXUWZZMJHJPW-SECBINFHSA-N	221.069	-0.465	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1C[C@@H]2C[C@H]2C1	1981468458	BZIMWXIAVBECLY-BQBZGAKWSA-N	238.483	-0.129	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(CF)C1	1981469166	NUBSETBYTJARON-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]2CF)cc1	1986084460	LAFDMAXVKLDPOX-NSHDSACASA-N	223.056	-0.090	50	10	BBGE	
O=C(NCC(=O)N1CCNCC1)[C@H]1C[C@H]1Cl	1991680894	VGGXHEYHIBNWHP-JGVFFNPUSA-N	245.710	-0.838	50	10	BBGE	
C[C@H](O[C@H]1C2CCN(CC2)[C@H]1C)C(=O)NN	1992113536	LKEWAJZFXZTVMD-OYNCUSHFSA-N	227.308	-0.136	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H](N)[C@@H]2C3)CC1	1998094456	JYDUSICZMUNYKY-HOTUBEGUSA-N	235.287	-0.399	50	10	BBGE	
Cn1nccc1[C@@H]1CCCN1C(=O)C(=O)NN	2004398711	JJAYVLBFVZTCRE-QMMMGPOBSA-N	237.263	-0.927	50	10	BBGE	
C[C@H]1C[C@H](OCc2cc(C(=O)NN)no2)CO1	2004761168	GQKOCTKYPFVOJJ-BQBZGAKWSA-N	241.247	-0.028	50	10	BBGE	
C[C@H]1OCCN(c2ncccc2B(O)O)[C@@H]1C	2004935233	LWZSVONWWMOSTA-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C(F)F)C2)n1	2004974251	HWHHGVNLHRQLPX-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
CC(=O)NNC(=O)CO[C@H]1CC[C@@H](C(=O)O)C1	2006345201	JDRJLHUOEWLBRF-SFYZADRCSA-N	244.247	-0.576	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@H]1C[C@H]1C(=O)NN	2008784349	BKKWCSSSCTXXIA-RCZSTQMZSA-N	239.319	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2010835707	RIDKVMFLECQUMU-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	2014232050	AKNJMBCMDXWAEV-LMLFDSFASA-N	238.335	-0.609	50	10	BBGE	
COCC1(COc2cncc(B(O)O)c2)CC1	2018937763	DTGQYSGFXRMELS-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
O=C(CC(F)F)NCc1ccccc1B(O)O	2022122131	PWHOREAWQMPGPB-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2ccnn2C)c1	2033257339	CKTKODLTONXCGX-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@]12CC[C@@H]1C2	2039754289	DADRFQNKSVWKMU-MFKMUULPSA-N	245.087	-0.217	50	10	BBGE	
N#Cc1cc(Cl)c(B(O)O)c(C=O)c1	2060100375	KZUXKVAGEQBGGE-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
C[C@]12CO[C@](Cn3cc(B(O)O)ccc3=O)(C1)C2	2073846129	KICKMISXIOXSNK-TXEJJXNPSA-N	249.075	-0.903	50	10	BBGE	
CCC[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2079523077	MQXQEPJNGUNTNO-CBAPKCEASA-N	249.079	-0.469	50	10	BBGE	
CN1CC[C@H](COc2nc(B(O)O)cs2)C1	2211764557	FWUNFFKOVVPMQS-ZETCQYMHSA-N	242.109	-0.847	50	10	BBGE	
C[C@@H](CN(C)C[C@@]1(F)CCOC1)C(=O)NN	2212153857	SJKOFOJBZYJSDT-WPRPVWTQSA-N	233.287	-0.327	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1ncccc1B(O)O	2212604242	NNGBZZIAHGUHGZ-HTQZYQBOSA-N	224.069	-0.734	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@@H]2C[C@@H]21	2215770530	CEUUGYVSYXXXGY-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2CC[C@H](C1)O2	2215775731	IROMNBHWXQCXBZ-ZNSHCXBVSA-N	239.319	-0.134	50	10	BBGE	
CC(C)C[C@@H](CN)Oc1ncccc1B(O)O	2217193654	OCSJVNABPITAET-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CC=CC[C@H]32)nc1	2217199102	KAFNIKUYXBADSU-WCBMZHEXSA-N	231.064	-0.689	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2NC3)nc1	2223635641	ZUUAJODWIAXICZ-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@@H]3CNC[C@@H]32)nc1	2223644507	KDVNIAZVYJNVEL-DVVUODLYSA-N	248.091	-0.862	50	10	BBGE	
CC[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)CN1	2223672233	ACYXTVPGLFWNHI-NXEZZACHSA-N	249.123	-0.296	50	10	BBGE	
C[C@@]1(C#N)CCCN(c2cc(B(O)O)ccn2)C1	2223678230	YWVSNHYRGZDOQT-LBPRGKRZSA-N	245.091	-0.109	50	10	BBGE	
O=C(C#CB(O)O)NCC(Cl)=CCl	2242548452	QPVBHICKGSLMQT-UHFFFAOYSA-N	221.836	-0.563	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1COC(=O)C1	2242591833	PEMJAXALLTYURX-RXMQYKEDSA-N	217.608	-0.260	50	10	BBGE	
CC(C)CN(C)C(=O)c1coc(B(O)O)c1	2243347745	PBCDZNXCZRHYFD-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
CCON(CC)C(=O)c1coc(B(O)O)c1	2243349881	RYUIPZZNUVXKKI-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
NC1CC(CCNC(=O)C2(B(O)O)CC2)C1	2243365319	KYYVUWOBNZSTNA-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
N[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383208	VSMCRSYSTAMLNL-KZVJFYERSA-N	226.085	-0.765	50	10	BBGE	
COCC[S@](C)(=O)=NC(=O)[C@H]1C[C@@H]1B(O)O	2243392619	VOMKXSJQXLLIQQ-MTKFTSKYSA-N	249.097	-0.880	50	10	BBGE	
CC[C@H](O)[C@H](C)NC(=O)C1CC(B(O)O)C1	2243397137	WISJMWQKPQTIML-KRTGUUSXSA-N	229.085	-0.485	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC2CCC1CC2	2243401408	QQXDRMJZEKLBEK-RTBKNWGFSA-N	221.065	-0.303	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccccn1	2243404554	QDMJGGDQVCPMGT-YUMQZZPRSA-N	220.037	-0.093	50	10	BBGE	
CC=C1CN(C(=O)c2sccc2B(O)O)C1	2243408997	ZCZBUSKWDBFGRQ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C#CCN(CCF)C(=O)C1CC(B(O)O)C1	2243417322	SEZPDOXQCLHXGL-UHFFFAOYSA-N	227.044	-0.329	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1C=CCC1)B(O)O	2243420594	VYLQRDOWCVKJLG-SECBINFHSA-N	245.109	-0.560	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1csnc1B(O)O	2244148422	PPXHVGAEJSKSIJ-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2244212194	MNKYOTCOOQEHCZ-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cocc1B(O)O	2244218813	AJTUTAJMIAKBAI-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
C=CCN(C[C@H]1CC[C@@H](C(=O)NN)O1)OC	2244258584	QUCXYTALXVKQIT-BDAKNGLRSA-N	229.280	-0.427	50	10	BBGE	
O=C(NCCC#CB(O)O)OCC(F)(F)F	2244540370	UYQQZEACMKFOKZ-UHFFFAOYSA-N	238.958	-0.320	50	10	BBGE	
CCCN(C[C@@H](C)O)[C@H](COC)C(=O)NN	2244881383	GJXPFCLSHSGMFN-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC1(C2CC2)COC1	2245001777	OVSYCEBLCAWVSZ-APPZFPTMSA-N	226.276	-0.192	50	10	BBGE	
COCCOCc1c(F)cccc1B(O)O	2245272292	SAXYMRBWLNNINM-UHFFFAOYSA-N	228.028	-0.332	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C1CCC1)C(F)(F)F	2247743429	DGGKXNHRBBBRLF-QMMMGPOBSA-N	248.997	-0.151	50	10	BBGE	
O=C(N1[C@H]2CCC[C@@H]1COC2)C1(B(O)O)CC1	2247750333	HUBCHEYHVMNWCJ-DTORHVGOSA-N	239.080	-0.227	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1NCC2)C1(B(O)O)CC1	2247756084	MCBFJEIGEOZVLK-GZMMTYOYSA-N	238.096	-0.606	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1occc1B(O)O	2247756560	NTSWMHCMDZIZKF-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247791019	KSTBEKYGHUHFLS-JXUBOQSCSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2247799867	JDCAFBBUJZBZIC-VVULQXIFSA-N	239.080	-0.636	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H]1C[C@@H]1B(O)O	2247800516	PSKDRNVWPJHZOF-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]([C@@H]1CCCCO1)N(C)C(=O)C#CB(O)O	2247846986	PQEYVJJIPHYFDA-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1cc(B(O)O)c[nH]1	2247847834	CCLRBIMRODBSSP-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2247854957	LHRHTOXNNWWPFB-LEQIOUOKSA-N	237.064	-0.223	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1occc1B(O)O	2247855176	OHHROJANBRZFQR-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
O=C(N[C@H]1CCCOCC1)C1CC(B(O)O)C1	2247892961	KHYTWXOGPHUKTR-RTBKNWGFSA-N	241.096	-0.075	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247893653	VZSKEEAJTWTHEW-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
CC1(C)OCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894314	FOBMMFULBZJJAP-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247896456	HFNHBVAJMJEDEO-KKZNHRDASA-N	241.096	-0.387	50	10	BBGE	
C[C@@]1(CO)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899913	RJSRXXVBVRJEPF-FXPVBKGRSA-N	241.096	-0.530	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2248574850	VJONESGMJSJLBH-KAVNDROISA-N	241.052	-0.685	50	10	BBGE	
COC[C@](C)(CN1CCC(B(O)O)CC1)OC	2249356209	LBXOMWPFYPJRBP-NSHDSACASA-N	245.128	-0.023	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249427034	BRIVKFGSPRZRPX-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2250687197	IADKSYNJAWTGDV-WYOJIJJFSA-N	238.096	-0.953	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@H]1B(O)O	2253336423	YNWIZQPLFLXNJB-DSYKOEDSSA-N	248.038	-0.956	50	10	BBGE	
CN(C(=O)NCc1ccc(B(O)O)cc1)C1CC1	2254657201	ABXSEGKKYMCVQD-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3CC[C@@H]32)n1	2254704289	BHSCAAWWGHDKDN-WPRPVWTQSA-N	248.091	-0.241	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@@H]21	2255452863	BVHKBUDWDTXTSX-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ncccc1B(O)O	2255516311	KJEHAMNZGJSOCZ-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@H]2C1	2255691571	OFIYCCQHVBZFAA-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1C[C@H]2CCC[C@H]1C2	2255764107	WJTWHZWFVVFPOQ-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
C=CC1CCN(C(=O)c2cc(B(O)O)co2)CC1	2258150978	IPVGZXXNZQBMAQ-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C#CC1(NC(=O)Nc2ccccc2B(O)O)CC1	2258783825	PREJHGROAHQFFG-UHFFFAOYSA-N	244.059	-0.346	50	10	BBGE	
O=C(CCc1ccccn1)NCCC#CB(O)O	2258961666	WRRHPRQAEOBZHB-UHFFFAOYSA-N	246.075	-0.464	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC23CC(CO2)C3)n1	2260641857	SGFNMFSXOHHABG-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CC[C@H]1O2	2298224665	XDBBZKAZLBOKED-FXBDTBDDSA-N	234.064	-0.507	50	10	BBGE	
O=C(NC[C@H]1NC[C@@H]2C[C@H]12)C1(B(O)O)CCC1	2298375412	IULQSEPCDKYXST-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	2302020552	PWEHGDGJTMCUCC-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@@H]32)C1	2303105966	RLFPVBACAGDIMA-QCBRBAQYSA-N	239.080	-0.513	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2n[nH]c3c2CCC3)C1	2303155829	CDSNDBUUHUVCHF-MRVPVSSYSA-N	235.096	-0.053	50	10	BBGE	
CC[C@@](C)(CN1CC(CC(N)=O)C1)C(=O)NN	2303427177	WASJYNWTLNXBOQ-NSHDSACASA-N	242.323	-0.800	50	10	BBGE	
OB(O)c1cc(N2C[C@H](F)[C@@H](F)C2)ncc1F	2303834177	AZEZQZAYOIAAIS-YUMQZZPRSA-N	245.997	-0.603	50	10	BBGE	
C[C@H]1CC[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303837004	UNXJQJBEJUPZLH-YUMQZZPRSA-N	238.071	-0.220	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H]1B(O)O	2304297583	HTPJKEFILXMFNA-QEYWKRMJSA-N	241.096	-0.533	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@H](F)C1	2307220491	QCRGSUFSLJBADU-LJGSYFOKSA-N	238.027	-0.552	50	10	BBGE	
CC(C)N(CCO)c1ccc(B(O)O)cc1C#N	2317162465	KASWPBIOIJCIPS-UHFFFAOYSA-N	248.091	-0.555	50	10	BBGE	
COCCCN(C)c1ccc(B(O)O)cc1C#N	2317164428	ZNDSQXKIDGOZOI-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ncno1	2317165388	KFEWPUPUZMBWOZ-UHFFFAOYSA-N	244.019	-0.767	50	10	BBGE	
C=CCNC=C(C#N)C(=O)NCC(=O)O	2324954873	SDDHHELGUHWFLP-UHFFFAOYSA-N	209.205	-0.630	50	10	BBGE	
CC(=O)NNC(=O)CNCc1ccccc1	141671591	GUWRNCOLFFUPSY-UHFFFAOYSA-N	221.260	-0.057	50	10	BBGE	
CN(C)NC(=O)N[C@@]1(C(=O)O)CCOC1	149052382	FOVXAYYRLCTVBS-QMMMGPOBSA-N	217.225	-0.994	50	10	BBGE	
COCC[C@@H](NC(=O)NN(C)C)C(=O)O	149104332	ZNENZNXXJCQKLV-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
CN(C)NC(=O)c1cccc(C(=O)O)n1	149764150	UIJVKTCPRCFSCT-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
CC[C@H](CO)NC(=O)NNC(=O)C(F)(F)F	180688300	GOQSDPUAUDMPBN-SCSAIBSYSA-N	243.185	-0.350	50	10	BBGE	
OB(O)c1cc(CO[C@@H]2CCOC2)ccc1F	203528046	LYJNCTWSPFGTCU-SECBINFHSA-N	240.039	-0.189	50	10	BBGE	
OB(O)c1cccc(OC2CCOCC2)c1	203551170	OPNSFZKLQYWCEQ-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
COC(=O)[C@H](OC)[C@@H](Cl)C(=O)OC	216554288	REFKUTPMDILWCM-RFZPGFLSSA-N	210.613	-0.045	50	10	BBGE	
CC[C@@H](N)C(=O)N1CCCC[C@@H]1B(O)O	222268701	JSNFEIRIDQHISK-HTQZYQBOSA-N	214.074	-0.883	50	10	BBGE	
COC(=O)[C@H](Cl)CS(C)(=O)=O	224310416	LCXLDBXXVIHPNR-SCSAIBSYSA-N	200.643	-0.189	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@](C)(O)CC1	230383956	MMKMUJSHVJNPMG-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
COC[C@@H](OCC(F)(F)C(F)F)C(=O)NN	232417938	JPKXIVFMZQSAIT-SCSAIBSYSA-N	248.176	-0.092	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCC#N)C1CC1	232419739	JUJGNCCALASOTL-VIFPVBQESA-N	226.280	-0.631	50	10	BBGE	
CCN(CCCN(C)C)[C@@H](COC)C(=O)NN	232420909	MADRMFBISUFBJB-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
COC(=O)CC[C@H](NC(=O)NN(C)C)C(=O)O	234557113	QITDTPRIEJOUOU-LURJTMIESA-N	247.251	-0.831	50	10	BBGE	
C[C@H](O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	252598816	KDVSNCCWPLNTGE-FXQIFTODSA-N	203.286	-0.687	50	10	BBGE	
COc1ccc(C[C@@H](N)C(=O)NN)cc1	258933618	BCUUULOHMFAENK-SECBINFHSA-N	209.249	-0.445	50	10	BBGE	
COC(=O)[C@H](Br)CNCCCN	300012482	ZHVMCCZISWSMFK-ZCFIWIBFSA-N	239.113	-0.139	50	10	BBGE	
CCNC(=O)CS[C@@H](C)CC(=O)NN	300904085	WKBDOAYJGISDES-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
CCCNC(=O)CS[C@H](C)C(=O)NN	300921262	YSOZUNGJVQYCEP-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
C[C@@H]1N[C@@H](N)NC(=S)[C@H]1Br	306450226	YWRIIVZMQQOZJN-TXQLHFEISA-N	224.127	-0.099	50	10	BBGE	
O=[N+]([O-])c1nccc(Br)c1B(O)O	306931052	CHOYCGRXDCAQOE-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Cn1nnc(CN2CCOC[C@@H](Cl)C2)n1	307236110	GOUJLIJKIHLYPC-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
NNc1cc(C(F)F)ccc1B(O)O	307390932	UQYYKZVIUSYLDD-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
NNC(=O)C(=O)N1CCC(C(F)F)CC1	307886173	VBPHJYQVEXJAAX-UHFFFAOYSA-N	221.207	-0.520	50	10	BBGE	
CN1CCN(Cc2nc(C(=O)NN)co2)CC1	386964959	KRQKBFIGUWLZGA-UHFFFAOYSA-N	239.279	-0.975	50	10	BBGE	
OB(O)c1ccnc(-c2ccncc2)n1	393778598	QBLVNKCPWHYWDH-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
Cc1nccn1-c1ccc(B(O)O)c(C#N)c1	394659465	ZLMIITYXOMGGDT-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
N#CCc1cc(B(O)O)ccc1CCC=O	396139785	UCNCJPYFDMGPOC-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
CN1CCO[C@@H](CSCCCC(=O)NN)C1	400778682	OIYGKQBJQRRYPV-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CC(C)[S@](=O)NCc1ccc(B(O)O)s1	404856512	RWAZVSHUHQWFGT-HNNXBMFYSA-N	247.150	-0.410	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1cccc(B(O)O)c1	404963087	FBIPTDJCXCJKKO-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1CCCCC1	405069590	APLUXCNQUAIFIE-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)OC1CCC1	405084579	RQLPMHCUCFDPAO-UHFFFAOYSA-N	236.036	-0.138	50	10	BBGE	
O[C@H](CCl)CN1CCN2C[C@H](O)C[C@@H]2C1	405242121	WSEODDONCJKNAM-OPRDCNLKSA-N	234.727	-0.663	50	10	BBGE	
N#CC1(O)CCN(CCCS(=O)(=O)O)CC1	690244814	YLWSZATYVRMWFU-UHFFFAOYSA-N	248.304	-0.385	50	10	BBGE	
CCN(Cc1cc(C(=O)NN)no1)C[C@H](C)O	692173869	UCBKXGFVACRSMV-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
COC[C@]1(C(=O)NN(C)C)CCCN1	692194817	LVNIOJZOOPNYOS-VIFPVBQESA-N	201.270	-0.652	50	10	BBGE	
CCN(CC(=O)NN)[C@@H]1CCN(C)C1	693438416	OZMZNELUSOJGEF-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
COC[C@H](CN1CCC(O)(C#N)CC1)OC	694659388	IKJAWWCYVIYDNN-JTQLQIEISA-N	228.292	-0.002	50	10	BBGE	
OB(O)c1ccc(CN2[C@H]3CC[C@H]2COC3)cc1	695046208	VGCQFXKVNSFSOY-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
CNCCN(C)[C@H](CC(C)C)C(=O)NN	695077828	KZTKHYASFGHQKQ-SECBINFHSA-N	216.329	-0.458	50	10	BBGE	
CO[C@@H]1CN[C@](C)(C(=O)NN(C)C)C1	701574346	FXWRZKNPAGMDHL-CBAPKCEASA-N	201.270	-0.654	50	10	BBGE	
CNNC(=O)[C@H](CC(C)C)NC(C)=O	704387142	VKWKJPIYDOLAJE-QMMMGPOBSA-N	201.270	-0.212	50	10	BBGE	
CCN[C@H](C)C(=O)N1CCC(O)(C#N)CC1	707984943	MHRMWVANPJCPGA-SECBINFHSA-N	225.292	-0.139	50	10	BBGE	
COCCC(=O)N1CCc2cc(B(O)O)ccc21	712162904	OHLUAOYFCPJTGO-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
Cc1nn(C)cc1CN(C)C[C@H](C)C(=O)NN	716414277	SGTOFEWWDZZVRK-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC[C@@H]1CO1	718543635	OWJXJHBUQYRSCO-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)c1cnn(C)n1	725702913	QHHUTCASVOTDQE-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
C[C@H]1OCCO[C@@H]1CNS(=O)(=O)CCl	725706271	TXGBURJMLSFNJI-RNFRBKRXSA-N	243.712	-0.094	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1CSC(=O)N1	740738285	CUMDELKVQMNTNF-RXMQYKEDSA-N	231.277	-0.385	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846385853	DNNZPKFGMMEMHN-LURQLKTLSA-N	242.275	-0.264	50	10	BBGE	
Cc1cc(=NNC(=O)[C@@H]2COC(=O)N2)cc[nH]1	862513474	GJAOYLGHWFOKLL-QMMMGPOBSA-N	236.231	-0.637	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2OCCC23CCC3)c1	888081756	DUPUEADUMFPCLW-JTQLQIEISA-N	236.080	-0.478	50	10	BBGE	
NNC(=O)c1ncn(-c2ccc([N+](=O)[O-])cc2)n1	1088727240	WQDDGGAPGYXJAA-UHFFFAOYSA-N	248.202	-0.221	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ccn(C)n1	1115966832	HOXLMCJLNNQVLJ-UHFFFAOYSA-N	225.252	-0.228	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN(C)C[C@@H](C)O)C1	1141855603	WFMRVBHSXGIEPY-VHSXEESVSA-N	229.324	-0.328	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1C[C@@]12CCOC2	1161432187	YAKBCZXPKMVPJN-HZGVNTEJSA-N	223.236	-0.326	50	10	BBGE	
Nc1ccnn1CC(=O)NNC(=O)C1CCC1	1293324993	NMBGRFFVFQFZCD-UHFFFAOYSA-N	237.263	-0.587	50	10	BBGE	
CN(NC(=O)CCCCC(N)=O)C(N)=O	1545887473	FPACTSXINSZFJI-UHFFFAOYSA-N	216.241	-0.926	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](O)c1cnn(C)c1	1587203575	QMTHIHCHJCXDHH-MRVPVSSYSA-N	240.263	-0.743	50	10	BBGE	
O=C(Nc1cc[nH]n1)c1cc(B(O)O)ccc1F	1627367068	DIGPBFHIOOEJQZ-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@H]1Cl	1883639545	NBIUCVPYWOKFQR-TVNFTVLESA-N	200.669	-0.052	50	10	BBGE	
CN(CCCC(=O)NN)CC1(O)CC1	1889011657	WQZWQCYGGBXYGW-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@]1(CO)C[C@H](O)C1	1893761457	JNCGAVSTSCJOKJ-BHNWBGBOSA-N	221.684	-0.137	50	10	BBGE	
C[C@@H]1C(=O)N([C@H](C)CC(=O)NN)C(=O)[C@@H]1C	1894135944	CZCCHRVROFXQOU-QYNIQEEDSA-N	227.264	-0.604	50	10	BBGE	
CN(Cc1nnn(C)n1)C[C@@H](Cl)C#N	1894779705	WHZNAPUMGHHKPT-LURJTMIESA-N	214.660	-0.227	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2[C@H]1CCN2C	1896135597	YITZTKZCOZLSNY-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
CN(NC(=O)c1ncccc1N)S(C)(=O)=O	1901373133	HCCQCINBNOYFKS-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
CN(CC1(O)CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	1901621403	PCRYQUNNJFQVEF-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
CN(C)NC(=O)[C@]1(CCF)CCNC1	1901715272	CVENRHKQYBKYEG-SECBINFHSA-N	203.261	-0.082	50	10	BBGE	
C[C@]1(OCc2nc(B(O)O)cs2)CCOC1	1902658597	QCPBSNBRSOZTHL-VIFPVBQESA-N	243.093	-0.482	50	10	BBGE	
C[C@@H]1C[C@H]1CCCn1cc(B(O)O)ccc1=O	1908542599	LKXMKWPCWOPMGV-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
O=C(NC[C@@H](O)C(=O)O)NC1CC(Cl)C1	1909273093	SUTDDUIMYCBHKF-JMMWHDCWSA-N	236.655	-0.499	50	10	BBGE	
CCC1CC(=O)N(C[C@H](C)C(=O)NN)C(=O)C1	1912336943	VVTXBWFWNIQLAT-ZETCQYMHSA-N	241.291	-0.212	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCCC2)C[C@@H]1CO	1912752737	DAZYMBZWPRLCEL-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@@H]1C	1914335191	OMZVNYKUHQYEMQ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)C12CCC2	1914396905	SORLURIDNJTIHR-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
N#CC[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1915018708	PFIWHAXVBNCRGW-ZETCQYMHSA-N	232.234	-0.153	50	10	BBGE	
CON1CCN(CCCCC(=O)NN)CC1	1915712065	BAIFONISZHISIZ-UHFFFAOYSA-N	230.312	-0.674	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@](F)(CO)C1	1917101557	WJOSFHJKRQSDSC-QXFUBDJGSA-N	231.271	-0.981	50	10	BBGE	
CN1CCC[C@H](NNC(=O)C(F)(F)F)C1=O	1923409386	RVGAWSURZHRHQD-YFKPBYRVSA-N	239.197	-0.210	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)O	1927183805	ZDBWVMDCTJTVMJ-SFYZADRCSA-N	245.279	-0.216	50	10	BBGE	
NNC(=O)CN1C[C@H]2CC[C@@H](CC1=O)C2	1927791478	GMBGQCICNJVNRF-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
CO[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1927816408	MLZPSRLODOHNHF-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C1CN(C)C1	1929070099	GBAFYLNEDMBMLR-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
Cc1nnsc1C(=O)NNCCO	1929833081	CQZVTPZDNOXPGI-UHFFFAOYSA-N	202.239	-0.927	50	10	BBGE	
CC1(CO)CN(CC(C)(C)C(=O)NN)C1	1935359144	RILVUYAVVMKPFA-UHFFFAOYSA-N	215.297	-0.683	50	10	BBGE	
CCN(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1936082980	HDIQNZUXNFPLPC-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
C[C@@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936090035	FSOQGJFGCPLAOC-KHQFGBGNSA-N	227.308	-0.542	50	10	BBGE	
CN(Cc1cnns1)C[C@@H]1C[C@H]1C(=O)NN	1936091784	OSPCSLZXLDWWCO-POYBYMJQSA-N	241.320	-0.404	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCSC1	1936527365	AIQCEPVEBRAYGM-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CCc1nc(C)cn1CCOCC(=O)NN	1936528893	ITTDFQQNGNUVHS-UHFFFAOYSA-N	226.280	-0.240	50	10	BBGE	
C[C@@H]1CCCN(CCOCC(=O)NN)C1=O	1936531688	UIRKUYYORDFREK-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1937055889	YVRNUJZTSOEBLV-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1[C@H]2COCC[C@@H]21	1937640138	KYOUIMWLXXVKRI-BBBLOLIVSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](CCc1nccs1)NC(=O)C(=O)NN	1938084082	YKTOPYBFXVUVRB-ZCFIWIBFSA-N	242.304	-0.430	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2CCOCC(=O)NN	1940009799	IPNMTUUWLUARAK-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOCC12CCC2	1940893067	IEALRHAZMISLPR-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081890	DIUMWNCGJVTORR-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H]1CCO	1941095066	RXKGUGJQYHKFDU-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](C#N)CC1	1942980649	PWXCNKFXIHIYIR-ZJUUUORDSA-N	240.307	-0.383	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)[C@@H](C2CC2)C1	1943084179	XUAQXWAEMRBYCO-GHMZBOCLSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944604293	POADQJKGWJYSST-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1cncn1C)CC(C)(C)C(=O)NN	1944728966	YKOCHSUNOQNZOP-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
CC1(C)NC(=O)N(CC2(C(=O)NN)CC2)C1=O	1945884588	SZXAZTZAJYNSPX-UHFFFAOYSA-N	240.263	-0.913	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@@H]1CO	1953757105	OGAKHOFHRAAUIH-NTSWFWBYSA-N	213.686	-0.270	50	10	BBGE	
O=C(CCCCl)N1CC(O)(CO)C1	1954056959	PLOHMLWIQNTVDY-UHFFFAOYSA-N	207.657	-0.429	50	10	BBGE	
C[C@@]1(CO)CNCCN1C[C@@H](Cl)C#N	1957254131	SOFSBQLKJKPZCA-IUCAKERBSA-N	217.700	-0.226	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)NN)CCS1(=O)=O	1959082463	CQRPWPPNZCKXQH-RNFRBKRXSA-N	235.309	-0.627	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@@H](O)C1	1960249983	XSDKBCFDZXHVRP-RKDXNWHRSA-N	213.281	-0.766	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1960964260	JSBVDOVOEKUSAC-HLTSFMKQSA-N	212.297	-0.857	50	10	BBGE	
CN(CCCF)c1ccncc1B(O)O	1961695853	KDSIZCPCMJADJN-UHFFFAOYSA-N	212.033	-0.443	50	10	BBGE	
N#C[C@H](Cl)CN1CC(N2CCNCC2)C1	1962267544	LAOJMSULJBUUKR-VIFPVBQESA-N	228.727	-0.293	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@@H](O)C1	1980521914	VIBPGGIJCKOSRO-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1cccn1	1980594807	VJGWSOSOWYUWGT-UHFFFAOYSA-N	220.236	-0.732	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1N(C)C	1980826009	OVVVWCCLHGUHIV-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H](CF)C2)CC1	1981246247	ASDLNQFJXCLMOS-QMMMGPOBSA-N	231.271	-0.573	50	10	BBGE	
Cc1cnc(-n2cc(C)cn2)c(B(O)O)c1	1981454648	NGKZOFTVCIMVAS-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CCN(CCO)Cc1cnsc1C(=O)NN	1981730608	RWJVUQNSYJWBRX-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC[C@H]1CO	1984127669	CEVZCNXNACAREV-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCC(F)(F)[C@H]2C1	1988587348	GKXZNXXSWCTHIP-RITPCOANSA-N	233.218	-0.520	50	10	BBGE	
NCc1cn(CC(=O)NC[C@@H]2C[C@@H]2Cl)nn1	1991444299	ZGLXHUYMNFRJPB-XPUUQOCRSA-N	243.698	-0.520	50	10	BBGE	
O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)[C@@H]1C[C@@H]1Cl	1991674643	GKOILYBSHOLCQW-JQCUSGDOSA-N	247.678	-0.044	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1C(=O)/C=C/C(=O)Cl	1991712104	CNXKCTWTHOSBIU-RIAPOHOLSA-N	247.678	-0.084	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CCOC[C@H]2F)CC1	1991730617	JUZLGHNEWQAKBU-SFYZADRCSA-N	232.255	-0.100	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@@H](NC2CC(Cl)C2)C1	1995043526	YJADRSBMRNTXMJ-QLEHZGMVSA-N	249.738	-0.160	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1995937769	OGCKWNMVOCSYTF-GXSJLCMTSA-N	247.314	-0.059	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C)[C@H](C)C(=O)NN)n1	1997733765	SHVBGZUKPRVBHS-BQBZGAKWSA-N	241.295	-0.176	50	10	BBGE	
CCCc1noc(CN(C)[C@H](C)C(=O)NN)n1	1997740744	RNMWYJTUPONHDG-SSDOTTSWSA-N	241.295	-0.168	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](OCCO)C1	2001032261	VTMTVLUKKMZOKI-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](CCOC)COC	2001430115	XDIDBJZYVKLVRB-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1[C@H](C)CC(=O)NN	2003813532	OTAGQZRYYPCYLY-SCZZXKLOSA-N	242.323	-0.789	50	10	BBGE	
CCOC[C@H](C)Oc1ncc(B(O)O)cc1C	2004930529	UKBODAVJBMKUCJ-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CN(CC1C[C@@H]2CC[C@H](C1)O2)C(=O)C(=O)NN	2010674560	MLOAXIDGOCJDGG-CBLAIPOGSA-N	241.291	-0.608	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CC(=O)NNc1ccccn1	2011383345	YUSXBXRAKCIJCF-BDAKNGLRSA-N	236.275	-0.410	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2CCCCC(=O)NN	2013676000	DRJSPXYHNDQNDP-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)C[C@H]1C(F)(F)F	2021104264	KDQNVZLLWZVILP-SVRRBLITSA-N	248.997	-0.294	50	10	BBGE	
C[C@@H]1CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)[C@@H]1C	2023852289	FKUMFHRIEFGPCN-CNVPUSNMSA-N	239.319	-0.134	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCC1(F)CCC1	2025239858	DJLHXXXFSRBMOA-UHFFFAOYSA-N	239.055	-0.190	50	10	BBGE	
N#CC1(O)CCN(CCO[C@H]2CCNC2)CC1	2026113581	WYJAWRNIFFTZAO-NSHDSACASA-N	239.319	-0.285	50	10	BBGE	
Cc1nn(C(C)C)cc1Cn1cc(B(O)O)cn1	2026961242	FJNXMNYSVQGYTB-UHFFFAOYSA-N	248.095	-0.303	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1	2028437932	WLXOIJWHQBUVSZ-IUCAKERBSA-N	246.075	-0.150	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@H]21	2040764919	JMVAKOINTCZJGU-SZEHBUNVSA-N	246.075	-0.254	50	10	BBGE	
NCCOCCNC(=O)CBr	2049382507	WKSUJFCZTDYXLJ-UHFFFAOYSA-N	225.086	-0.527	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2[C@H]3CC[C@H]32)n1	2052626827	XXORJLIHVFXNSQ-MYJAWHEDSA-N	247.107	-0.443	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@]12CCOC2	2052627562	NIXFVTDAGJHDEJ-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)ccc1B(O)O	2053735452	LPPBJZATVOBBHQ-QFOLPQNPSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(NC(=O)c2ccoc2)ncc1B(O)O	2069480933	NAHHECOPTHCHRQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3COC[C@H]32)c1	2077840687	CSMQEORMKVVTIR-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2CC[C@H]21	2079008755	MIOKRSPZGATYEA-BXKDBHETSA-N	245.087	-0.009	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1ccc(B(O)O)cn1	2086408907	MYFDBDSRXPDKAQ-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1csc(CN2CC3(CC3)CO2)c1	2211071689	FATFBDVIBXCNKH-UHFFFAOYSA-N	239.105	-0.045	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@H](O)[C@H]1C	2211249112	GZAIVPCNJQZOGF-KYXWUPHJSA-N	229.324	-0.154	50	10	BBGE	
CC[C@@H](N)CCOc1ncccc1B(O)O	2212601868	VBYCCISZMOUPNU-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H]1C[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2212611306	YVTNVUMYMGEGMI-YUMQZZPRSA-N	221.069	-0.964	50	10	BBGE	
CC1(N)CC(Nc2cc(B(O)O)ccn2)C1	2212612294	JOQVCNFXOUFMRY-UHFFFAOYSA-N	221.069	-0.947	50	10	BBGE	
CN(c1ccncc1B(O)O)C1C[C@H]2C[C@@H]2C1	2216547377	MKZAHOZKXRIGRP-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
C#C[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2217175594	KWSBZICUJPLWPT-LLVKDONJSA-N	230.076	-0.247	50	10	BBGE	
CC1(C2(Nc3ncc(B(O)O)cn3)CC2)CC1	2217175924	PEFFPIMYWBIIHK-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
CC(C)[C@@H](CCN)Oc1ncccc1B(O)O	2217184108	MSEMMWBRMBMMJE-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2217185284	UWYNQTSWIRXPTO-SFUQAZFLSA-N	230.076	-0.172	50	10	BBGE	
C[C@H](CNC1CC1)Oc1ccc(B(O)O)cn1	2217188708	SDPUIEYNCQFRJA-MRVPVSSYSA-N	236.080	-0.719	50	10	BBGE	
C#C[C@@H]1CCCCN1c1ncc(B(O)O)cn1	2217202225	VJOGZESVEYIWJV-SNVBAGLBSA-N	231.064	-0.852	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)[C@H](C)CN1C	2222178413	DNTSWWHKXYAACF-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
CC1(C)C[C@@H]1CCCN=c1ncc(B(O)O)c[nH]1	2223635244	URSVXSAOYCCQBV-VIFPVBQESA-N	249.123	-0.184	50	10	BBGE	
Cc1nccc(CNc2ccc(B(O)O)cn2)n1	2223640000	UOWWAQTYMOBTBX-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCNCC2)cc1B(O)O	2223643080	RGJDJENVANGPLL-SNVBAGLBSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)nc1	2223668701	ZXRGDBWOYFORAJ-PICOPQHESA-N	243.075	-0.921	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CN3CCC2CC3)c1	2223669619	LXUAMWQRMXTJRM-LLVKDONJSA-N	247.107	-0.733	50	10	BBGE	
CN1CCCC[C@H]1CNc1cc(B(O)O)ccn1	2223673918	IEAXEHBIANOPGH-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1Nc1ncccc1B(O)O	2223674722	MXYCQKRYSLDRBJ-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
O=S(=O)(Nc1cn[nH]c1)N1CC(Cl)C1	2241338975	UZZSJVBTZRQQDE-UHFFFAOYSA-N	236.684	-0.011	50	10	BBGE	
O=C1NC(=O)N([C@H]2C[C@H](Cl)C2)C1=O	2241654841	DACCXWFWSUTWSE-JPYJGEKTSA-N	202.597	-0.165	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSCC1COC1	2241878696	MCGTUYIMYLSODB-YUMQZZPRSA-N	216.306	-0.008	50	10	BBGE	
COc1ccc(B(O)O)c(OCC(F)F)n1	2243084968	FJKYYXQDFWYRJN-UHFFFAOYSA-N	232.979	-0.586	50	10	BBGE	
O=C(N1CCn2ccnc21)C1(B(O)O)CC1	2243365110	IAWJGFYVHUQZML-UHFFFAOYSA-N	221.025	-0.763	50	10	BBGE	
CCNC(=O)c1cc(OC)ccc1B(O)O	2243366377	BIJYDEHBDVMCAF-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
CC/C=C\CNC(=O)c1csnc1B(O)O	2243378461	TXLDAARIVSXIQH-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243392700	WINGURRDVKYGMZ-JBDRJPRFSA-N	222.053	-0.342	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243392979	YWXJHBUCBAWVAW-VGMNWLOBSA-N	228.101	-0.694	50	10	BBGE	
CC(C)(C)C1CC(NC(=O)C#CB(O)O)C1	2243398627	FVEOKOIEYVLOSH-UHFFFAOYSA-N	223.081	-0.057	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427123	QTBLCPXLTWRZOQ-GHCJXIJMSA-N	227.069	-0.874	50	10	BBGE	
C=C(CS(=O)(=O)N1[C@H]2CCC[C@@H]1C2)B(O)O	2243434363	XOAQFZCISSNVON-DTORHVGOSA-N	245.109	-0.489	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@H]2CN1[C@@H](C)C(=O)NN	2243803845	GPNIWJXQPGFBBO-WYOJIJJFSA-N	227.308	-0.278	50	10	BBGE	
COCCCCCCn1cc(B(O)O)cn1	2244662803	IXPQHDKYQIKEMI-UHFFFAOYSA-N	226.085	-0.230	50	10	BBGE	
OB(O)c1cccc(OCc2ncco2)c1	2245259669	ZUVJCWPDIBDLRD-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
C[C@H](O)[C@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245913537	TUFSNWGOADKPEZ-WDSKDSINSA-N	244.487	-0.404	50	10	BBGE	
O=C(C#CB(O)O)NCC1CCC(F)(F)CC1	2247736915	AEZQTXKHUKPVOD-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
Cc1cnc(CNC(=O)C#CB(O)O)c(C)c1	2247739756	BAVVCHSGMURPMQ-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
CC1(C)OCCN(C(=O)C#CB(O)O)C1(C)C	2247740367	JLJPCVQXYDBQLB-UHFFFAOYSA-N	239.080	-0.582	50	10	BBGE	
CCOC1(CNC(=O)C#CB(O)O)CCCC1	2247743532	FLFVGTBVQFNDKW-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
CC1CC(CNC(=O)c2ccoc2B(O)O)C1	2247743745	IRFPQRNUGBBBSW-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247747900	UWEABSQUCDRUOU-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C=C(F)CNC(=O)c1c(C)cccc1B(O)O	2247752463	PTBAYCCVDXWWJD-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
O=C(N1CC[C@@H]2CCN[C@H]2C1)C1(B(O)O)CC1	2247758640	WAJWSQCWXVDWLD-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cn2)[C@H]1C	2247771321	VFJODAHVXAJPHQ-YUMQZZPRSA-N	234.064	-0.758	50	10	BBGE	
O=C(NC[C@H]1OCC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247787452	PIFDVPWDGFELGU-BZNPZCIMSA-N	245.059	-0.517	50	10	BBGE	
CC(C)(CCCO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797175	GVRIYVVDKWEYNS-BDAKNGLRSA-N	243.112	-0.236	50	10	BBGE	
NCC1(CCNC(=O)C2CC(B(O)O)C2)CC1	2247804761	IJBOCFWLRHIEAW-UHFFFAOYSA-N	240.112	-0.515	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805502	KMPCCLXRTIFHRK-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2[C@@H]1C[C@H]2O	2247805970	LORGAKNQCJPRBN-YSPNUELXSA-N	239.080	-0.779	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2C(=O)[C@H]2C[C@H]2B(O)O)C1	2247807933	JJEPJUYNIMZKCB-CKEKPRIKSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1CO	2247808340	KVFRHHFNFJKOBY-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)C#CB(O)O	2247841128	GBJJVRRYCABQKT-XIYHTJDTSA-N	233.076	-0.638	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1Cc2ccccc21	2247848358	LAXPLWDENGPVPO-SNVBAGLBSA-N	229.044	-0.542	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]1C(F)F	2247848396	LKOYECQGRFMZMZ-SSDOTTSWSA-N	244.006	-0.826	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1coc(B(O)O)c1	2247871676	FZCPGZBTEQPTBZ-ZCFIWIBFSA-N	244.990	-0.656	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)ccc1C	2247873097	DZCYEWLAKZBSHX-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N(C)C1CC1	2247875336	WBPJVICEEYLDDE-UHFFFAOYSA-N	236.080	-0.578	50	10	BBGE	
O=C(N[C@H]1CC12CCOCC2)C1(B(O)O)CC1	2247879608	WFNZZDMZORCAMO-QMMMGPOBSA-N	239.080	-0.321	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247892741	GZWFFGOFOSPZBS-AUXWQGHOSA-N	241.096	-0.125	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247906314	XSXMUOZVTDCDOW-CAUGXEKISA-N	241.096	-0.341	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C(C)(C)C(=O)O	2248585109	GNIHXUPABHWQRC-UHFFFAOYSA-N	243.068	-0.439	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248587631	RZRDMCMFVZTVCP-VGRMVHKJSA-N	241.052	-0.829	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(C(F)F)C1	2249433634	OXBYRPSMEAAOKT-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
C#CCN(OC)C(=O)c1ccccc1B(O)O	2249505706	TZJUJPXDLVPIMI-UHFFFAOYSA-N	233.032	-0.997	50	10	BBGE	
O=C(Nc1cccnc1F)c1coc(B(O)O)c1	2255457716	HVKMACKFYHNJBS-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(NC12CCC(CC1)C2)c1cc(B(O)O)c[nH]1	2255476040	FYXMXZOMXXOCFG-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cccc(B(O)O)c1F	2255498765	VVXXSRAWVJFJDG-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
O=C(N[C@H]1CCC12CCC2)c1n[nH]cc1B(O)O	2255546698	IULMBNBTXOQDNT-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
O=C(NCCC1=CCCC1)c1c[nH]nc1B(O)O	2255571474	PBBYARDLDLMOOZ-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@H](C)C2)c1B(O)O	2255580329	ASUUESSELKNTRE-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
COc1cncc(CN(C)C(=O)C#CB(O)O)c1	2255670775	IKVZLQRDAFQGCX-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
O=C(N[C@H](CO)c1ccccc1)[C@@H]1C[C@H]1B(O)O	2255775899	YLAMOEUECHILBR-GMTAPVOTSA-N	249.075	-0.301	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1cocc1B(O)O	2258131144	QNCYKLLESSRVHV-XCBNKYQSSA-N	248.047	-0.619	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)cn2CC)C1	2261376251	FRZNTSOVXPTPKP-UHFFFAOYSA-N	248.091	-0.554	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368406	BTMFFGCUFBMJQI-RGOKHQFPSA-N	240.112	-0.648	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]1C2	2298370475	ZLDQMYNVKGRMBA-GCPOWRFASA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2298371039	WORWAKXZMLJBEU-LOLPMWEVSA-N	239.080	-0.325	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)[C@H]1C[C@H](B(O)O)C1	2298376042	FGMZWTQYMJJSJM-HKBCETJISA-N	241.096	-0.341	50	10	BBGE	
C#C[C@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2301420166	AYSDEGOFCMJLKZ-JTQLQIEISA-N	229.044	-0.609	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@H]1CC[C@H](C(=O)NN)O1	2302405228	HHJGKRSAHWOHRC-IVZWLZJFSA-N	243.307	-0.755	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303112872	AUDDAKQBNMBFIY-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CN1C[C@H](C)[C@@H](CO)C1)C(=O)NN	2303413286	IBNYFTHKKOXQBU-HOSYDEDBSA-N	243.351	-0.047	50	10	BBGE	
CC[C@](C)(CN1C[C@H](OC)CC1=O)C(=O)NN	2303430204	ZWIQXOLGKJUSPL-LDYMZIIASA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1cc(NN2CCCCC2)ncc1F	2303834321	DHERIYBUTSUEAL-UHFFFAOYSA-N	239.059	-0.287	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@H]1CN	2317156654	WKTOZUFXBQDQSX-NSHDSACASA-N	245.091	-0.834	50	10	BBGE	
C[C@@H]1CNC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317167571	JBUGTAIYYXCIHT-PRHODGIISA-N	245.091	-0.742	50	10	BBGE	
N#CC1(O)CCN(c2cc(C(N)=O)cnn2)CC1	2327313964	MAQDZQBZHRQPIA-UHFFFAOYSA-N	247.258	-0.570	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2O[C@H]3CC[C@H]2C3)c1	2327536531	KVUIQWJRQYXFGW-INTQDDNPSA-N	249.075	-0.292	50	10	BBGE	
CC(C)C(=O)N1CCC[C@H](C(=O)NN)C1	36963063	CSIKTAJBVWRQBH-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
COC(=O)/C(C#N)=C1/CC[C@@H](C(=O)O)N1	38997144	RSMFGTDOIQUYMZ-RBSILHGTSA-N	210.189	-0.226	50	10	BBGE	
CC[C@@H](Br)C(=O)NCc1nnn[nH]1	61493844	YJNSZXCFQBHJRC-SCSAIBSYSA-N	248.084	-0.011	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)CCCCl	85254639	RSUWZNPIXXEAIV-QMMMGPOBSA-N	209.673	-0.135	50	10	BBGE	
NC[C@@H]1CCN(Cc2ccc(C(=O)NN)cn2)C1	94763737	BMSKUYNMGRAGIE-VIFPVBQESA-N	249.318	-0.534	50	10	BBGE	
COC(=O)N1C[C@H]2C(=O)OC(=O)C[C@H]2C1	106841089	ZBJLLNFAQMUTET-NTSWFWBYSA-N	213.189	-0.226	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CCl	115887622	VXLPYFZWBMGNSX-WHFBIAKZSA-N	207.613	-0.728	50	10	BBGE	
NNC(=O)C1(N)CCN(Cc2ccccc2)CC1	138649967	JMFXQFZUNNQKJO-UHFFFAOYSA-N	248.330	-0.030	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H]1CNC(=O)C1	171325609	SSGSJOUVCSWQQR-MRVPVSSYSA-N	241.291	-0.294	50	10	BBGE	
CCCNC[C@](N)(CCCCB(O)O)C(=O)O	199738329	LXVUIUCLKJLDMR-SNVBAGLBSA-N	246.116	-0.589	50	10	BBGE	
C[C@@H](N)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228648124	AFINQZMQMVWKJE-CSMHCCOUSA-N	233.337	-0.396	50	10	BBGE	
OB(O)c1cc(O)cnc1Br	238619263	VETFBRUCQOKBRQ-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
O=[S@@](CCO)CCOCCCl	238680559	YCWRJTPNJAGHCN-NSHDSACASA-N	200.687	-0.017	50	10	BBGE	
NCCCN(C=O)C(=O)NCCCl	244506763	ZLXOXJWOGXRMQL-UHFFFAOYSA-N	207.661	-0.258	50	10	BBGE	
N#CC1=C(CN2CCOCC2)S(=O)(=O)N=C1	260284529	VPVZNFPZBBUBEX-UHFFFAOYSA-N	241.272	-0.490	50	10	BBGE	
C/C(=N\NC(N)=O)[C@](C)(O)C(C)(C)O	306622829	AZZJRDWFZSBCLG-SMSHQHMSSA-N	203.242	-0.448	50	10	BBGE	
CC(C)(C)CC(=O)NNC(=O)C1CNC1	309471908	AUONXNHATPYGNW-UHFFFAOYSA-N	213.281	-0.211	50	10	BBGE	
Cc1ccc(CO[C@H]2CCOC2)cc1B(O)O	313763807	YCQRGDNYJAVXAB-NSHDSACASA-N	236.076	-0.020	50	10	BBGE	
COc1ccc(B(O)O)c(CC(=O)O)c1	379643292	FPWXVFRAEFHWFE-UHFFFAOYSA-N	209.994	-0.998	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@](C)(CO)C1	381348825	HLGWRVJJSLGXGL-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1[C@H](C)CCC(=O)NN	399432678	SDKQOKSHJBHNQS-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
Cc1nocc1C(=O)Nc1ccc(B(O)O)cc1	405020649	WZLWMVQSJJURLQ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1CN(C)C	405148437	BAZVPNBAMWYWAB-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@@H]2NC[C@H](Cl)C(=O)[C@H]2N1	605704952	JIDJCKNAQIPSOB-HSNKUXOKSA-N	218.684	-0.141	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(N)=O)[C@@H](C)O1	686472810	UCIWAOITWPSFFA-HSUXUTPPSA-N	201.226	-0.501	50	10	BBGE	
Cn1[nH]c([N+](=O)[O-])nc1=NCCCl	687750860	MYVIRLIIVOSEGW-UHFFFAOYSA-N	205.605	-0.204	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689157084	CJMNOOJJKKJICU-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
COc1ccc(C)cc1Cn1cc(B(O)O)cn1	694500842	KZRZRPLGJWXKFT-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(C)COC1	702970006	RTVPWUHUHQPYQK-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703795847	GWJNGHYCGWXTLU-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([C@@H](C)O)C1	719807488	ODOXRECOZAUJBC-VXNVDRBHSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1=[S+][C@H]([N+](=O)[O-])C=N1	725700547	CALOTRPHPUMOEL-DMTCNVIQSA-O	236.660	-0.413	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)O)C1	832750032	RVIABTHRCLHMDI-YUMQZZPRSA-N	244.291	-0.280	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)C(C)(C)O)C1CCC1	832754596	MXWVRRVFPHZLIB-QMMMGPOBSA-N	244.291	-0.280	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@](C)(CC)CO	847391162	SJXQWNOEULMPSJ-VIFPVBQESA-N	217.269	-0.255	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2cc[nH]n2)CCCO1	855357253	GDWINMABGJTQMG-JTQLQIEISA-N	238.247	-0.260	50	10	BBGE	
CN(C)C(=O)NNC(=O)COCC(F)F	858906842	HDYYMKNQLDJZQE-UHFFFAOYSA-N	225.195	-0.430	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1nccc(OC)n1	900159414	FZXXHLNIFPQRQQ-KGGZQZJCSA-N	238.247	-0.135	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN(C)C(N)=O	1151329155	BVQKSKFMJFRKON-UHFFFAOYSA-N	213.197	-0.921	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1cnn[nH]1	1293054444	HMPZGIGHHDXOSB-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
O=C(CO)NNC(=O)Cc1cnccc1Cl	1306819892	IPJYKBLCUXMFSG-UHFFFAOYSA-N	243.650	-0.583	50	10	BBGE	
COC(=O)NNC(=O)c1cn2cccnc2n1	1320258293	IDFOEMYQHSQFAH-UHFFFAOYSA-N	235.203	-0.270	50	10	BBGE	
O=C(COC(F)F)NNC(=O)c1ncon1	1463149199	KKINOSHGXYEJHR-UHFFFAOYSA-N	236.134	-0.930	50	10	BBGE	
COC/C(C)=C\C(=O)NNC(=O)c1ncon1	1598458973	BHZBDBPTPHRQQE-UTCJRWHESA-N	240.219	-0.577	50	10	BBGE	
COC(=O)C[C@H](NC(=O)CCl)C(=O)O	1865982692	MGHPAOHIGKEDLN-BYPYZUCNSA-N	223.612	-0.642	50	10	BBGE	
C#CCN[C@H]1CS(=O)(=O)C[C@H]1Cl	1880702669	JKFVFGJKEOZUFM-RQJHMYQMSA-N	207.682	-0.386	50	10	BBGE	
CCn1nnnc1C[C@@H](N)CBr	1881326000	CWNGNNDTSYOGPI-RXMQYKEDSA-N	234.101	-0.042	50	10	BBGE	
O[C@H]1COC2(CN(CCCl)C2)[C@H]1O	1882573702	GBDMPIYJYCTHDD-BQBZGAKWSA-N	207.657	-0.968	50	10	BBGE	
NC(=O)C[C@H](N)C(=O)NC1CC(Cl)C1	1884412094	LZGBAYQPRVHTEY-WRVKLSGPSA-N	219.672	-0.925	50	10	BBGE	
C#C[C@H](CCl)NC[C@H]1CCS(=O)(=O)N1	1884830402	DBVWNAOMMNMBRG-HTQZYQBOSA-N	236.724	-0.492	50	10	BBGE	
C[C@@H]1C[C@H](O[C@H](C)CC(=O)NN)CO1	1888048967	CBLYYCNRZWAEAR-PRJMDXOYSA-N	202.254	-0.051	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1(CO)COC1	1893410738	NGLQFOAASGKTNZ-UHFFFAOYSA-N	219.624	-0.815	50	10	BBGE	
CO[C@H](CNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893474589	KOGAXTJAIZYDFH-NGJCXOISSA-N	221.640	-0.171	50	10	BBGE	
NCCCSC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896926821	AVRFDYJRURTAAA-IUCAKERBSA-N	247.364	-0.004	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1CC(F)(F)CN1	1898972699	VBWPTDXJLZBHBU-ZCFIWIBFSA-N	207.224	-0.034	50	10	BBGE	
CC(=O)N(C)CCN(C)CCCC(=O)NN	1901233883	VEDZICXWXGAILH-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1nc(B(O)O)cs1	1902658110	IMNSEENUGRTDBQ-RNFRBKRXSA-N	243.093	-0.626	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@@H](O)C2)[nH]1	1902669279	PCRCYRXGELNKBV-NTSWFWBYSA-N	243.698	-0.230	50	10	BBGE	
OB(O)c1nnc([C@@H]2CCCCO2)s1	1904500317	ANTUQZKOVXZQQM-YFKPBYRVSA-N	214.055	-0.541	50	10	BBGE	
Cc1c(O)nn(C[C@H](C)C(=O)NN)c(=O)c1C	1912236759	HPAMKNSCLDJUKR-YFKPBYRVSA-N	240.263	-0.808	50	10	BBGE	
CC(C)[C@H](N=S1(=O)CCOCC1)C(=O)NN	1913863203	TURATAOFLCFKJM-QMMMGPOBSA-N	249.336	-0.501	50	10	BBGE	
CN(C)C1(C(=O)NNC(=O)C(F)(F)F)CC1	1923408155	VZICWBOAAPKNJT-UHFFFAOYSA-N	239.197	-0.210	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)COCCO	1923432438	XNUMNVCERDLNNP-UHFFFAOYSA-N	234.252	-0.449	50	10	BBGE	
CC(C)(Br)C(=O)NCB(O)O	1923721272	JQNNLWACEZWUJG-UHFFFAOYSA-N	223.863	-0.712	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCO)C1CC1	1927914077	QKAZALKRSPKXCE-CBAPKCEASA-N	213.281	-0.931	50	10	BBGE	
O=C(CBr)N[C@@H](CO)CCCO	1928816809	JUOFWKFGNXKEQP-ZCFIWIBFSA-N	240.097	-0.369	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1C2	1932264030	LDWDMMSGHPLIMY-GJMOJQLCSA-N	211.265	-0.329	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C(C)(C)CCO	1936081210	LIKBFGMUAYAPMO-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCN1CCC2(CCC2)[C@@H](CO)C1	1946316070	NRRUDYMSLDMURW-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
C[C@](N)(C(=O)N1CCC(O)(C#N)CC1)C(F)F	1947354260	LJAPXJQJUPJURH-SECBINFHSA-N	247.245	-0.154	50	10	BBGE	
CN(C(=O)N1CC[C@@H](B(O)O)C1)C1CC1	1951321120	ZDVACBLKJUOCJS-SSDOTTSWSA-N	212.058	-0.251	50	10	BBGE	
CCCN1CCN(C(=O)NN)CC1=O	1955287098	FCXWQOUQNPVEEO-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1957175195	LCTQIJCHTHPUKK-PBXRRBTRSA-N	220.656	-0.627	50	10	BBGE	
Cc1ccc(CN(C)CC(=O)NN)cn1	1957784168	PHWWFUSDNDDERO-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
CC1(C)C[C@H](CC(=O)NNCCO)CO1	1958416428	RMAMHOQLUYXAOX-QMMMGPOBSA-N	216.281	-0.195	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	1960172378	VOSMNCIRIWREHR-JIGDXULJSA-N	211.265	-0.329	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C)C2)n1	1961706342	RRIMWYKLBRJJKY-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
OB(O)c1cnccc1OCCC1CC1	1961712572	MWMLWRAEOQUUGR-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
CO[C@H](C)CN(C)c1nc(B(O)O)cs1	1961717798	GGCCWIPAZUJAAX-ZCFIWIBFSA-N	230.098	-0.706	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1c1ncon1	1976756799	YKFOWZUVGGRDKV-RNFRBKRXSA-N	225.252	-0.415	50	10	BBGE	
NNC(=O)COCCN1CC(F)(C2CC2)C1	1981216424	JENMACSGLBWZRT-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CC(=O)NN)C[C@H]1OC	1981407417	OTAWCQAQTYZWJX-AYMMMOKOSA-N	231.296	-0.900	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCC(C)C)n1	1981418015	HPFZFZAKTRMRBI-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
CCN(CCCO)CCC(F)(F)C(=O)NN	1984129722	IENUCBREVWCXDY-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@@H]1F	1984338825	YIHFCGYMSNQTTH-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
COc1cc(C(=O)NCC=CB(O)O)sn1	1991333550	TYKLSGFZOWVRMS-UHFFFAOYSA-N	242.065	-0.550	50	10	BBGE	
C[C@@]1(CO)COCCN1C(=O)C=CC(=O)Cl	1991652665	PUFBCPMMTSASGX-SNVBAGLBSA-N	247.678	-0.082	50	10	BBGE	
C#CCNC(=O)CCNC(=O)C=CC(=O)Cl	1991653399	ZIPBIAVONVAARF-UHFFFAOYSA-N	242.662	-0.436	50	10	BBGE	
OB(O)c1ccc(Cn2cc(F)cn2)cc1	1992090304	ULEISNJUYWIKPV-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCC#CB(O)O)CCS1	1992134644	MRCSPULPJRKASZ-IUCAKERBSA-N	241.121	-0.350	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@]12CC2(F)F	1992139385	UDBAKQDTCBWYFM-SVRRBLITSA-N	228.991	-0.837	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)CCOCC(=O)NN	1992948391	VHTGUEVFJJVPAC-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CN1CCC([C@H](F)CO)CC1)C(=O)NN	1999599579	UKHNNJVFDPUOJD-WCBMZHEXSA-N	247.314	-0.345	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H](C[C@H]2O)C1	1999847197	MGVCQOLJUGMBHW-KAMPLNKDSA-N	239.319	-0.685	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN([C@H](C(=O)NN)C(C)C)C1	2000967010	KQKJJKQHMPZYDB-BBBLOLIVSA-N	245.323	-0.918	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@H]1CO	2001930907	VEDXOZPKVDWXPO-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](OCCO)C1	2003872553	OPEZYFVGJLZODL-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1N(C)C[C@@H](C)C(=O)NN	2003938482	LXCTZHWANHCWCX-HBNTYKKESA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)c1coc(CN2CCC23COC3)c1	2004486942	QJYLQXYYZCMXPT-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnn(CC)n1	2004804038	HUYRLJPJGZCEEX-VIFPVBQESA-N	240.311	-0.502	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@H]32)c1B(O)O	2004971802	WGUIWUCVHMREBT-DTWKUNHWSA-N	233.080	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1[C@H]2CCO[C@@H]12	2007575295	XMZGKLCUPYIZFG-FBDQPXRJSA-N	241.335	-0.032	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1cc(C(=O)NN)no1	2011156764	UDHSNVRJMZSQNO-HZGVNTEJSA-N	240.263	-0.767	50	10	BBGE	
C[C@@H]1[C@H](O)CN1[C@H](C(=O)NN)c1ccccc1	2011372852	LLXFOYOBPUJURE-IEBDPFPHSA-N	235.287	-0.217	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@H]3COC[C@H]32)c1	2015139162	VQJXFVKLEFUFIG-URLYPYJESA-N	235.048	-0.967	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)CC(=O)NNC(C)=O	2019210159	MAUOJYTVFUKECH-NXEZZACHSA-N	243.307	-0.490	50	10	BBGE	
COC[C@H](C)COc1nc(C)ncc1B(O)O	2026075232	UDDJLALXZIQGMK-ZETCQYMHSA-N	240.068	-0.874	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCCC12CC2	2052473634	WVVVMDDDOODILS-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
N#Cc1cc(C=O)c(B(O)O)cc1Cl	2060092607	CBOCPMIXEWWWAQ-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
N#Cc1cc(OC(F)F)c(C=O)cc1B(O)O	2060268473	OUSJFXLYMNRZCY-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
NNC(=O)N[C@H](C(F)F)[C@H]1CCOC1	2210039034	GNBSATPKFIECMY-WHFBIAKZSA-N	209.196	-0.171	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2CF)c1F	2212604754	SEMWGYUEQZOWDB-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
CN1CCN(Cc2cccc(B(O)O)c2)C1=O	2214596624	RBERDWRTRCHMBD-UHFFFAOYSA-N	234.064	-0.766	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@]2(CO)C1	2215773926	UXQMAHLPGTWURE-UXCLJVHYSA-N	239.319	-0.683	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@H]1CCOC1	2217179135	GWEQZBDYKRGLMZ-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
C[C@]12CC[C@@H](Nc3ncc(B(O)O)cn3)[C@@H]1C2	2217205200	VKCNXTDKBQTHND-IQJOONFLSA-N	233.080	-0.243	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(n2cccn2)C1	2221574510	XKYATMLWYXBLHU-KOLCDFICSA-N	249.318	-0.244	50	10	BBGE	
Cc1ccc(CCN=c2ncc(B(O)O)c[nH]2)o1	2223636025	FBUIUIBJZNXRNH-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](O)C3(CCC3)C2)nc1	2223653496	RZSWPASXUJSYHD-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCCCN[C@H]21	2223673163	DWNCNLUXLRUIGU-JMJZKYOTSA-N	247.107	-0.686	50	10	BBGE	
CCC1(N)CCN(c2ccc(B(O)O)cn2)CC1	2223673728	ZBQGHJJKQLOJHA-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CN(C[C@H]1CC=CCC1)c1ncc(B(O)O)cn1	2223673845	MDTXIIBAVBDCIF-JTQLQIEISA-N	247.107	-0.051	50	10	BBGE	
CCC[C@@H]1CNCCN1c1ccc(B(O)O)cn1	2223853345	LZCBPUQKXSFXGG-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
NOCCCS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241670424	PDWMYZYCMTWEEJ-LJGSYFOKSA-N	242.728	-0.044	50	10	BBGE	
CON(CC1CC1)C[C@H](C)C(=O)NN	2242155073	VRRHEZYZMFKYQU-ZETCQYMHSA-N	201.270	-0.114	50	10	BBGE	
CCCN(C)C(=O)c1ccncc1B(O)O	2243350071	VCFIXSKCDXWXNB-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
CCC[C@@H](CNC(=O)C#CB(O)O)OCC	2243356019	AEFYHAOFLRQCOF-VIFPVBQESA-N	227.069	-0.677	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@@H]2C1	2243357661	ZSFNNXXGVBYFTQ-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ncsc1B(O)O	2243358582	IDBIXJULVXWONY-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243362454	RDUMDLUGPCUEDW-KPCSLPGQSA-N	222.053	-0.921	50	10	BBGE	
CC1CC(NC(=O)c2ccc(B(O)O)o2)C1	2243362779	WHMOIZPGIQQOAM-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)C1(B(O)O)CC1	2243363235	CULSKYXUCSVICN-YUMQZZPRSA-N	229.085	-0.341	50	10	BBGE	
CCC(C)(C)NC(=O)c1occc1B(O)O	2243363366	FRLGGPHUUSAICZ-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CCC1	2243367047	MSQPBZXQZJZYNG-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
O=C(c1cc(Cl)ccc1B(O)O)N1CCC1	2243367461	TXWBVZCRZYSJRH-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C#C[C@H](C)NC(=O)c1scc(C)c1B(O)O	2243377762	GTAJPTFFXVPQIE-ZETCQYMHSA-N	237.089	-0.512	50	10	BBGE	
CCCNC(=O)c1ncc(B(O)O)cc1Cl	2243378554	VPAIYNDDNKPNGP-UHFFFAOYSA-N	242.471	-0.445	50	10	BBGE	
N#CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2243390818	BTNBFKDFZQEHNR-ZKCHVHJHSA-N	222.053	-0.198	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1OC2CCC1CC2	2243392156	RUNCYSRJBLMGCY-PEBLOWIWSA-N	225.053	-0.066	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2243405123	ZYECFSZPDUCKMD-YUMQZZPRSA-N	223.041	-0.803	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1csc(B(O)O)c1	2243409005	ZLIKBWASUNTEHH-MRVPVSSYSA-N	237.089	-0.431	50	10	BBGE	
Cn1cc(NC(=O)C2CC(B(O)O)C2)nn1	2243413872	OZOWODSJEQEQQF-UHFFFAOYSA-N	224.029	-0.993	50	10	BBGE	
O=C(NC[C@H]1CCCO1)C1CC(B(O)O)C1	2243414056	SJIRJXYWNOOACF-AMDVSUOASA-N	227.069	-0.465	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)n(C)n1	2243414602	DUEMTNLVYUVYNB-BQBZGAKWSA-N	223.041	-0.470	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1sncc1B(O)O	2243415250	QTEPPUKZZBBDBB-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)[C@H](O)CC1	2243780290	PHGSPGOYLTVUAP-OCAPTIKFSA-N	247.678	-0.348	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=N[C@H]2C[C@H](Cl)C2)[nH]1	2243985151	SSNWHMPCCUSZFG-IZLXSQMJSA-N	242.714	-0.046	50	10	BBGE	
CC/C=C\CNC(=O)c1cocc1B(O)O	2244214594	VBCPAVPSJBRRFJ-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccncc1	2244546304	JQSTZEVRANLHSD-UHFFFAOYSA-N	218.021	-0.783	50	10	BBGE	
C=C[C@@H](N)COc1cc(B(O)O)c(Cl)cn1	2245912852	IHVUNNLFVVVQHV-ZCFIWIBFSA-N	242.471	-0.693	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1ccoc1B(O)O	2247747703	RGILTPQUBWFIQK-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
CNCCCCN(C)C(=O)C1(B(O)O)CCC1	2247753109	BRIXCOFOCAXYQG-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)cn1C(C)C	2247759099	OCQZIALVZBIETF-UHFFFAOYSA-N	238.096	-0.159	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247789880	CIUIINGDDPKWEV-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCCN1	2247796994	FIPQIJRQPHKBIL-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@@H]1CN2CCC1CC2)[C@H]1C[C@@H]1B(O)O	2247803617	BUPIQGHLEMILTI-LPEHRKFASA-N	238.096	-0.940	50	10	BBGE	
Cc1cc(CNC(=O)C2CC(B(O)O)C2)n[nH]1	2247805311	BDXVSAYCEMCURP-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
O=C(NC[C@]12C[C@H](CCO1)C2)[C@H]1C[C@@H]1B(O)O	2247806415	MYYMQQSBRWKVFV-FTYOSLGDSA-N	239.080	-0.465	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247807723	RSZHGBVFKBNKHS-SFYZADRCSA-N	235.052	-0.736	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@H]1C[C@H]1B(O)O	2247809304	OVNMYICJPBNCEA-JGVFFNPUSA-N	235.052	-0.702	50	10	BBGE	
COCC(C)(C)NC(=O)c1ccc(B(O)O)o1	2247852537	VXABVJOACSQMHI-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
CCNC1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247859727	OOFJLADPQTWDBZ-NXEZZACHSA-N	240.112	-0.550	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)cc1C	2247859759	OVOPXWQRALNNEI-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1coc(B(O)O)c1	2247872792	YKGFZUVSDPMYSB-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247892743	GZWFFGOFOSPZBS-SEZDTBSWSA-N	241.096	-0.125	50	10	BBGE	
CN1CCC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247896769	KCMJGFNSVCSIDZ-ZJUUUORDSA-N	240.112	-0.693	50	10	BBGE	
C[C@@H]1CNC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898059	AAPUAPHBCFBIKG-JXUBOQSCSA-N	240.112	-0.789	50	10	BBGE	
O=C(NC[C@H](CO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247899260	LVVYFLHDMXIZRW-OPRDCNLKSA-N	241.096	-0.626	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2248476832	WVOWUJSYQDMVAH-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
OB(O)c1ccc(CO[C@H]2C=CCOC2)cc1	2249210899	JJTARQBSSNAELS-LBPRGKRZSA-N	234.060	-0.162	50	10	BBGE	
C[C@H](NC(=O)c1ncncc1B(O)O)C1(C)CC1	2255505305	OFOGOECCVPNSMX-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccc(B(O)O)cn1	2255521944	CVIRUFUSNSQTBA-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2255774667	SGRRBYVYTYSBKP-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@H]1C[C@H]1C	2257491365	MAUAFICAKFGTBO-VXNVDRBHSA-N	248.091	-0.544	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCNC1	2298368738	VISRQVDVLMDYNN-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371271	FXYDQTFESMGMRN-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376065	GNBPLYSTIQRFAR-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ncccn1	2298376148	KEFKYKWBMGLKFW-BWZBUEFSSA-N	235.052	-0.483	50	10	BBGE	
CCc1ccnc(CN(C)C(=O)C#CB(O)O)c1	2315542612	MGQNRNQZMKWGMO-UHFFFAOYSA-N	246.075	-0.382	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@H]3CC[C@H]2CN3)c1	2315633041	IDUKWRZPEKYVCX-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1CC(N)C1	2317150674	HYSMMLCOHFUQFL-UHFFFAOYSA-N	245.091	-0.836	50	10	BBGE	
C#CCN(CCF)c1ccc(B(O)O)cc1C#N	2317161652	NNVYSWUTQQMMMB-UHFFFAOYSA-N	246.050	-0.353	50	10	BBGE	
CN(C[C@H]1CCN1)c1ccc(B(O)O)cc1C#N	2317161931	OXSWLFOXBAFSPY-LLVKDONJSA-N	245.091	-0.964	50	10	BBGE	
CO[C@@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317311795	VQOYWUWHTCHYAU-LLVKDONJSA-N	249.075	-0.596	50	10	BBGE	
Cc1nc(OCc2ccccn2)ncc1B(O)O	2317802259	SMYRTZVTWBEYAY-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CS(=O)(=O)NC(=O)NCCCl	1708947	QEHAZTBKOWMJST-UHFFFAOYSA-N	200.647	-0.516	50	10	BBGE	
CC(C)NC(=O)CN(C)C(=O)NC(=O)CCl	42612775	KXICGKLRXVYSQC-UHFFFAOYSA-N	249.698	-0.082	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C[C@@H](C)O1	58851633	OTKFOSVHNAHDRJ-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)c1cc(CO[C@@H]2CCOC2)on1	82465481	YQEVRXLFAQDKDD-ZCFIWIBFSA-N	227.220	-0.416	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)CCO1	82467624	DMFBZDJNEFNPDN-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CCN(CC)[C@H]1CCN([C@@H](C)C(=O)NN)C1	82469294	CAEBYIQDDGJFME-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccn2)nc1	87224068	PADMZUULHQTWDM-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1c[nH]nn1	104645153	BPJFZUZOEWQKRZ-SSDOTTSWSA-N	235.247	-0.078	50	10	BBGE	
COCCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	110582916	UIUKULFYEJYMFA-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COC[C@]1(C)C(=O)O	149055386	DEXVYOXFMYHSLT-RCOVLWMOSA-N	231.252	-0.748	50	10	BBGE	
CO[C@H]1COc2ccc(B(O)O)cc2O1	195993482	FQKBBUZQEDLDNY-SECBINFHSA-N	209.994	-0.890	50	10	BBGE	
NNC(=S)NNC(=O)c1ccccc1N	196163258	MWFMIDRRRWRUII-UHFFFAOYSA-N	225.277	-0.749	50	10	BBGE	
Cc1cc(-n2cccn2)ncc1B(O)O	200996449	WTNIVGXBUDRFNA-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC(C)C[C@@H](NC(=S)[C@@H](C)N)B(O)O	210105157	KGIJGDFACIZVGQ-RNFRBKRXSA-N	218.131	-0.323	50	10	BBGE	
O=C(CCl)NC[C@H](O)Cn1ccccc1=O	218404148	SKCMAYXCRDMQCG-QMMMGPOBSA-N	244.678	-0.436	50	10	BBGE	
C[C@H](CCN1CC(=O)OC(=O)C1)[S@@](C)=O	229872336	WVRLNZLTYPTYFS-KWKYVRJSSA-N	233.289	-0.471	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@@H](C)CN(C)C	232268025	QEFAFHLRVPOWOE-ZJUUUORDSA-N	230.356	-0.116	50	10	BBGE	
CC(C)(C)OC(=O)NCC(=O)NNC=O	238129699	BZXUHVAUXYJBLH-UHFFFAOYSA-N	217.225	-0.712	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CCCCN1	238277466	HHKQNXOXPRGIQY-SSDOTTSWSA-N	215.253	-0.094	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1CO	251550644	MZRZEFWVAZGYDX-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
O[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Br	255968259	CYDSHUXBYGPGJA-KAZBKCHUSA-N	209.039	-0.092	50	10	BBGE	
O=C1NNC[C@@H](OCCCl)[C@@H]1Cl	307024686	WLXBFGPBTZKPOA-UHNVWZDZSA-N	213.064	-0.148	50	10	BBGE	
OB(O)c1ncc(C(F)(F)F)cc1O	307037141	ZXLRIHQGITXSIJ-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
COC1(C)CCN(C(=O)C(=O)NN)CC1	309012583	PPIIYPWOGOBVPL-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
COc1cc(B(O)O)c(F)cc1[C@H](C)CO	309574433	YCVZUGVRXWLKSA-ZCFIWIBFSA-N	228.028	-0.390	50	10	BBGE	
O=C1CCCN1CCOc1ccc(B(O)O)cc1	310611755	CITYOKAIEIWZFI-UHFFFAOYSA-N	249.075	-0.632	50	10	BBGE	
CN1[C@H]2CC[C@H]1CC(N1CC(=O)OC(=O)C1)C2	322603883	MSUSRQQLNDSPLH-IUCAKERBSA-N	238.287	-0.003	50	10	BBGE	
COc1ccc(B(O)O)c(CN2C[C@H]3C[C@H]3C2)c1	380343121	DTITVELFBAOSSB-AOOOYVTPSA-N	247.103	-0.173	50	10	BBGE	
CCOC1CN([C@@H](C(=O)NN)C(C)C)C1	383059709	RJAJUDBCUFBFAS-SECBINFHSA-N	215.297	-0.278	50	10	BBGE	
O=C(O)CCc1c(O)cccc1B(O)O	396056904	LPGMVMDNZSKFLU-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
O=C(O)Cc1nc2ccc(B(O)O)cc2o1	396096714	NNRAQDUCPPPMRC-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
O=Cc1ccc2sc(CO)cc2c1B(O)O	396341297	SVOOVUUEPIQRMV-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(CCF)CC1	402767967	HQUJCVNCQKTMEP-JTQLQIEISA-N	246.330	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(F)(F)[C@@H](CO)C1	403238409	OVPYZDJQSCQUMD-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1CCCC1	405075613	HLUCXSNXDWOBDJ-UHFFFAOYSA-N	235.052	-0.611	50	10	BBGE	
CC(C)OC(=O)[C@H](C)[S@](=O)CC(=O)NN	586370502	NUIVXCPGAVEWBU-WDDATRMLSA-N	236.293	-0.935	50	10	BBGE	
NC[C@H]1C[C@H](O)CN(C(=O)CCCl)C1	642885444	KFTLXEIGYLVRII-SFYZADRCSA-N	220.700	-0.217	50	10	BBGE	
COC[C@H](CN(C)[C@@H](C)[C@H](C)C(=O)NN)OC	691289333	YGRVRMPVUVJXFG-GUBZILKMSA-N	247.339	-0.406	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCC[C@H]2N)CC1	692125999	YTXCWCRZDIZNAM-VHSXEESVSA-N	237.303	-0.009	50	10	BBGE	
N#CC1(O)CCN(c2ncncc2N)CC1	692147764	DSPMYKVXUIWXFD-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
C[C@H](CO)[C@@H]1CCCCN1[C@H](C)C(=O)NN	699959213	JOQJSRMYFORESP-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)C[C@H]1CO	705322666	JXASGYSCQKBSAX-UWVGGRQHSA-N	237.727	-0.226	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCC[C@H]1O)C(=O)NN	708052186	VMGDSBQUZNWQNT-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
O=C(N[C@@H]1COCC[C@H]1Cl)c1cnn[nH]1	710854541	QWKBTHKKUAIVOO-IYSWYEEDSA-N	230.655	-0.069	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COCC[C@H]1O	710949147	BHZAROOUJMCJNB-NKWVEPMBSA-N	243.712	-0.706	50	10	BBGE	
NS(=O)(=O)C1(CNC(=O)CCCl)CC1	714033745	HMEHIEZDLUFDPF-UHFFFAOYSA-N	240.712	-0.447	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H](O)[C@@H](C)O	717357796	XFWFBJQMPUYEMQ-QYNIQEEDSA-N	209.673	-0.281	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC([C@@H](C)O)C1	719808002	SZXPZWVIFPBAOI-HTRCEHHLSA-N	201.270	-0.933	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cnsn1	730592481	QYJZTSLWVSHCGE-CRCLSJGQSA-N	226.261	-0.045	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@@H]1CCCS1	819669373	HUVNSHDECOQQSL-LURJTMIESA-N	231.277	-0.338	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)N1CCOCC1	824621934	ZDIZAYOUEFUWIP-QMMMGPOBSA-N	240.263	-0.391	50	10	BBGE	
C#C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1	847022589	VKSFUWAUXVKNDG-JTQLQIEISA-N	249.314	-0.111	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](O)C2CCC2)n1C	856056089	YQOIXCLFCNMFPE-QMMMGPOBSA-N	239.279	-0.272	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1cnn[nH]1	1136447961	OCZHCZLRDLUXTL-UHFFFAOYSA-N	226.240	-0.960	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1ccncn1	1141131115	OWWLRARQVRBVPA-QMMMGPOBSA-N	220.232	-0.042	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CN1CC[C@H](C)C1	1141855602	WFMRVBHSXGIEPY-UWVGGRQHSA-N	229.324	-0.328	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C1=C[S@@](=O)CCC1	1163323858	WELDZGCKZQPYFN-BCTVWOGZSA-N	246.332	-0.243	50	10	BBGE	
CN(NC(=O)[C@H]1CCc2nc[nH]c2C1)C(N)=O	1261736645	QGVKHGRZFXKEFR-LURJTMIESA-N	237.263	-0.444	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](OC)[C@@H]1CCOC1	1328185060	NMOFVDQVOGFVRG-HTQZYQBOSA-N	245.279	-0.612	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1C[C@@H]1C(F)F	1344676132	IITZYWWWOKVNAM-IMJSIDKUSA-N	208.164	-0.973	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C#N)n[nH]1	1447124974	XKIQRGFFXDNWOJ-RNFRBKRXSA-N	233.231	-0.361	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNC(=O)C1CCC1	1543354596	CKTWKWYQYWXTDS-UHFFFAOYSA-N	238.251	-0.920	50	10	BBGE	
CON=CC(=O)NNC(=O)NC1CC1	1583458557	OOXUGTIOEUXKRP-UHFFFAOYSA-N	200.198	-0.889	50	10	BBGE	
CCOC(C)(C)C(=O)NNC(=O)c1ncon1	1585613922	UQGAWNJWBCPRBD-UHFFFAOYSA-N	242.235	-0.354	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](C)CC(=O)OC	1627337552	VUGOAPZXLQMXBF-QMMMGPOBSA-N	232.280	-0.205	50	10	BBGE	
CCN(CCO)NC(=O)c1n[nH]cc1F	1627538175	YXMMYXPUTLOVEU-UHFFFAOYSA-N	216.216	-0.492	50	10	BBGE	
NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1Cl	1883635306	VPMMUWRHTWOUNA-WHFBIAKZSA-N	226.685	-0.982	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H](F)[C@H](CCl)C2)n1	1895516023	JSRRPGPGUGJMTD-PHDIDXHHSA-N	247.661	-0.141	50	10	BBGE	
CCC=CCNC(=O)c1cnsc1B(O)O	1900475583	WKFUXWHLPFBWHL-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1N(C)CCOCC(=O)NN	1901155119	XYNVZHRJHUZWKP-JZYVYDRUSA-N	229.324	-0.031	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12C[C@H](CO1)C2	1902514930	ZKTFOIQAMVWJDJ-OYNCUSHFSA-N	225.053	-0.759	50	10	BBGE	
COCCOC(=O)N1CC[C@@](C)(B(O)O)C1	1902554318	UFXARASWKKMXQM-SECBINFHSA-N	231.057	-0.292	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](CO)C2)C1	1908359601	WZFFHQHRTOJQLW-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
Cc1ccnc(N(C)C[C@@H]2C[C@@H]2F)c1B(O)O	1908964041	FRDOGRCHFOAZKN-IUCAKERBSA-N	238.071	-0.136	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@H]2C[C@H]2C(=O)NN)C1	1909261290	LQPUSFKDYLYPEZ-ZYUZMQFOSA-N	245.298	-0.329	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914011587	SXGUFISUMAVXMA-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
CC1(C(N)=O)CN([C@H](C(=O)NN)C(C)(C)C)C1	1914188536	HSJVTUBTEUOQCC-SSDOTTSWSA-N	242.323	-0.802	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CCOC3)C2)cc1	1915582245	FMAARKGLBKZHRS-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(CCC[C@@H]2O)C1	1918421653	RFHYJRSNKKFSKB-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
C#CCNC(=O)[C@@H](C)NNC(=O)C(F)(F)F	1923438992	PRWVAONIXDFDNG-RXMQYKEDSA-N	237.181	-0.693	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1F	1928693131	XUNOGQZXGCGKIJ-DSYKOEDSSA-N	205.233	-0.967	50	10	BBGE	
CC[C@H]1OCC[C@H]1C(=O)NNCCO	1929834841	IZABPYDRPWHZAW-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
O=C(NCC(F)(F)F)NNCCO	1929842374	TVSITQOUWFHQPG-UHFFFAOYSA-N	201.148	-0.655	50	10	BBGE	
CC[C@H](CC(=O)O)CC(=O)NNCCO	1931538244	NULNXRNJPMLJOW-ZETCQYMHSA-N	218.253	-0.510	50	10	BBGE	
CN(C)NC(=O)N=c1[nH]n(C)cc1C(=O)O	1935592595	WQTAGLWFISPVHM-UHFFFAOYSA-N	227.224	-0.862	50	10	BBGE	
COCCN(CCOCC(=O)NN)C(C)C	1936537516	SQUONHFPCHGJKN-UHFFFAOYSA-N	233.312	-0.650	50	10	BBGE	
O=C(Cn1cnnn1)NCCCOCCCl	1937160670	YBIZPWXQHOVVPN-UHFFFAOYSA-N	247.686	-0.565	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1csnn1	1937710126	CYGYHKXLGXXRHD-RQJHMYQMSA-N	243.336	-0.016	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@@H]1COC[C@@H]1Cl	1939166661	LAKGQHMJKLKNHM-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
COCCN1C[C@@H](c2nnn(C)n2)[C@@H](Cl)C1	1939854269	LFIYZOQLLKCSOV-SFYZADRCSA-N	245.714	-0.137	50	10	BBGE	
C[C@@]12C[C@@H]1C(=O)N(CCCCC(=O)NN)C2=O	1946986544	BIFGWKGMIURCMH-RDDDGLTNSA-N	239.275	-0.458	50	10	BBGE	
CC1(CO)CN(Cc2ccoc2C(=O)NN)C1	1951071822	CXHCJDOQCSHALN-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
COC(=O)c1c(F)cc(B(O)O)c(F)c1F	1951329350	OTYRIKPBDJZGCT-UHFFFAOYSA-N	233.938	-0.430	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](CO)C1	1955549772	BATMIOVWJQBKOF-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
CC(C)(O)[C@H]1CN(C(=O)NN)CCO1	1957202067	VJCCTWZFNAZMME-ZCFIWIBFSA-N	203.242	-0.959	50	10	BBGE	
C[S@@](=O)CC1CN(CCCC(=O)NN)C1	1957677164	UOVHCSANCREVFL-OAHLLOKOSA-N	233.337	-0.933	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F	1957875562	QGODRENBHYIMIT-AXMZGBSTSA-N	215.228	-0.771	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H](O)C2	1961927294	UBZKPKFSVCHIIT-SYHAXYEDSA-N	233.695	-0.044	50	10	BBGE	
O=C1NCC2(CCN(C(=O)CCl)CC2)N1	1964624384	ONIBZUREVUNRMY-UHFFFAOYSA-N	231.683	-0.101	50	10	BBGE	
C=CCCCn1cccc(B(O)O)c1=O	1975101716	WJYWPTWAKAZKID-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
CN(CC(=O)NN)CC1([C@H]2CCCO2)CC1	1978605745	DYBPJINESZJZCY-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCl)CN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1	1979507606	KHYYCPGDCHZKDF-BWZBUEFSSA-N	245.710	-0.840	50	10	BBGE	
COC1(COc2ccc(B(O)O)cc2)CC1	1979947096	HFZRPZCFQZXEDW-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
COC1(CF)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1980376110	DOTGDHWRZBOJPZ-SFYZADRCSA-N	233.287	-0.329	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@](=O)[C@H](C)C1	1981188079	NMYLMFVQXURVNR-LGZSNQIQSA-N	247.364	-0.402	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1984192958	JRGNJFZJXGIGOK-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
Cn1cc(NC(=O)C(=O)NN)c(C(F)F)n1	1984198286	PQACZSLKOWMHAU-UHFFFAOYSA-N	233.178	-0.714	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](F)C[C@@H](F)C1	1985767269	MFANIDWYOUPFJA-FNCVBFRFSA-N	233.262	-0.006	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCCn1ccnc1	1986445145	JXBYWZJWBKTLQE-BDAKNGLRSA-N	224.264	-0.474	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C2CC2)C(=O)C1=O	1986913826	VCTYCISAUHILIV-SSDOTTSWSA-N	241.678	-0.049	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987562768	PMZIZHQAWLAONP-AEJSXWLSSA-N	226.324	-0.611	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1990041903	XWQMCHLZQYOCJA-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@@H](C)[C@H]1C	1990774407	IMLVNMHLLOLQPM-SFYZADRCSA-N	245.348	-0.021	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)O)C(=O)/C=C/C(=O)Cl	1991703075	BZXZDXPSTWJCBN-ATXJSMISSA-N	249.694	-0.102	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC12CC(CN(C)C)C2	1998042021	ZJLADHDXMCXUNZ-BMQDGWLCSA-N	240.351	-0.219	50	10	BBGE	
CO[C@]1(CN(C)[C@@H](C)C(=O)NN)CCCOC1	2001494678	MQRKMVXKNBMOGX-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
CC(C)NC(=O)C1CN(C[C@H](C)C(=O)NN)C1	2002651745	FPUNEPKOZZRGNT-QMMMGPOBSA-N	242.323	-0.931	50	10	BBGE	
NNC(=O)CN1CC[C@@H](CN2CCCCC2)C1	2003907935	YUZABPPIDCZWIQ-NSHDSACASA-N	240.351	-0.216	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CCCN2C1=O)C(=O)NN	2004267983	XNJIGGGGQFHDHS-RNFRBKRXSA-N	240.263	-0.961	50	10	BBGE	
NNC(=O)CCN1CC(=O)N[C@@H]2CCCC[C@H]21	2004291355	RPKYZTSGFNITES-RKDXNWHRSA-N	240.307	-0.891	50	10	BBGE	
CC(C)[C@@H](C)CN(C)c1ncc(B(O)O)cn1	2004912472	UDUQETNQMQLPSL-VIFPVBQESA-N	237.112	-0.115	50	10	BBGE	
C[C@@H]1CCC[C@H]1N(C)c1ncc(B(O)O)cn1	2004915935	FWGNOOSUNVRBBP-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)CC(C)(C)C(=O)NN	2006196409	BEGIGZRPOVTQKP-ILWJIGKKSA-N	241.335	-0.173	50	10	BBGE	
C=C1C[C@H]1Cn1cnc2c(B(O)O)ncnc21	2007070495	RDWPBBZODDKHMA-ZETCQYMHSA-N	230.036	-0.918	50	10	BBGE	
C[C@H](COc1ccc(F)c(B(O)O)c1)N(C)C	2008381546	BNGCHXAMVNSEMY-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC=C[C@@H]2CO)C1	2010835799	SHLRIELJBKOYJN-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	2021112008	YLXBCMMKORFOEM-PRJMDXOYSA-N	243.018	-0.591	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@@H](C2)C3)n1	2021439405	NHVNMIBVUHRAMC-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1(CCO)CCC1	2025523500	YATUJYVVTPWVQX-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
COc1ccc(Oc2ncc(B(O)O)cn2)cc1	2052523222	WQDYCHHDGNFALW-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)c1ccc(B(O)O)cn1	2054286576	CBTBDYCOUREHTO-GHMZBOCLSA-N	248.091	-0.910	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H](O)C2)cn1	2056635747	RRNVNSJEICINKA-JTQLQIEISA-N	248.286	-0.582	50	10	BBGE	
COc1c(B(O)O)cc(C=O)cc1[N+](=O)[O-]	2060268557	QQSGFAUQHMDLEU-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@@H]3C2)c1B(O)O	2068130580	ZIKJNMVYRYTQAI-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@]12CNC[C@@H]1C2	2210021405	OMJBNISMPNKXCP-IMTBSYHQSA-N	214.652	-0.214	50	10	BBGE	
CO[C@@H]1CN(C[C@H](Cl)C#N)[C@@H](CO)[C@H]1OC	2210312411	GLWUFODDYJZFOJ-UTINFBMNSA-N	248.710	-0.176	50	10	BBGE	
CO[C@@H]1CCN(Cc2nscc2B(O)O)C1	2211137954	NHGLJZNFRPSDLQ-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
CCOCCN(C)Cc1cscc1B(O)O	2211140533	OEOFUHFNUUBYRG-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CN(C)CCCSc1ccc(B(O)O)cn1	2212600958	GOHNSHFBEDVLPK-UHFFFAOYSA-N	240.137	-0.195	50	10	BBGE	
CO[C@H]1C[C@@H](CN=c2ccc(B(O)O)c[nH]2)C1	2217173680	SOZZJWATDJSYJV-WAAGHKOSSA-N	236.080	-0.980	50	10	BBGE	
C#CC1(CNc2ncccc2B(O)O)CCC1	2217175906	PBIWBOMMZWTERM-UHFFFAOYSA-N	230.076	-0.023	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1	2217197617	OSARNAFTTKQWFO-PSCFOPOQSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Nc1ccc(B(O)O)cn1	2217197647	PDCLGCJDRIFMRI-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCCC[C@H]21	2217336300	CDWGTWRCHKTLSX-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@@H](CN)C2)cc1B(O)O	2223653404	RBJQICYGFOBJIR-ZJUUUORDSA-N	249.123	-0.899	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@@H]1Oc1cc(B(O)O)ccn1	2223662300	STLJILNXXRZFEE-GXSJLCMTSA-N	248.091	-0.590	50	10	BBGE	
OB(O)c1cccnc1NCc1cncc(F)c1	2223673859	ZQOPUPFJRXZAQF-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
COc1ncccc1Nc1ncc(B(O)O)cn1	2223677765	SFSUNACFYSOWST-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)s2)[C@@H]1C	2243357331	VDLKHAILVFOIOB-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@@H]1CF	2243358065	BKJCRUWNODAJJO-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CCCCN(CCO)C(=O)C1(B(O)O)CC1	2243365634	PGHHPAIUPSPOCB-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2243399878	RVFJLWRSHCOTGL-ZJUUUORDSA-N	223.081	-0.248	50	10	BBGE	
CC[C@]1(C)CCN(C(=O)C#CB(O)O)C1=O	2243399900	SDRUXMPRXJWUPP-SNVBAGLBSA-N	223.037	-0.823	50	10	BBGE	
O=C(N1CC=C[C@H](O)C1)C1(B(O)O)CCC1	2243409831	PRGVGLJPHQUCGB-QMMMGPOBSA-N	225.053	-0.857	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426938	NYBARHDKNZBDMX-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
C=CCOCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2243427517	WUEHLALCDSPBLQ-BDAKNGLRSA-N	227.069	-0.442	50	10	BBGE	
CO[C@H]1COC[C@@H]1N1CCC(B(O)O)CC1	2244180535	OGFMAFFTIHIEGC-UWVGGRQHSA-N	229.085	-0.661	50	10	BBGE	
C=C(C)CCNC(=O)c1cocc1B(O)O	2244213159	ASPGNDXCHZZDNM-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C)[C@@H](C)C(=O)NN	2245139921	IQNWDBVJYXPOQN-XFWSIPNHSA-N	229.324	-0.154	50	10	BBGE	
C[C@@]1(CO)C=CCCN1CCOCC(=O)NN	2246358807	ILCUZOWYYPYZBF-NSHDSACASA-N	243.307	-0.994	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H](C)[C@H]2C)n1	2247140529	CELMPVLRRCFVKS-HTQZYQBOSA-N	236.080	-0.385	50	10	BBGE	
C[C@@H](C(=O)Nc1ncccc1B(O)O)C(F)F	2247460834	GLYCRSGSDOUBMR-RXMQYKEDSA-N	244.006	-0.399	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccoc2B(O)O)C[C@H]1F	2247738201	OEMUIJLQOIXYQL-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C(F)(F)C12CCCC2	2247738233	OQLLCSWMGIMPRC-MRVPVSSYSA-N	243.018	-0.304	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)C1CCNCC1	2247755469	IFVNEHMYEQUWIP-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
C[C@H](CN1CCCC1)NC(=O)C1(B(O)O)CC1	2247756775	NUPQDXVVKZRAQG-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247785940	SSPXWSQHDILIFO-OIBJUYFYSA-N	237.068	-0.992	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786441	ATKQGCOZSIKFRF-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247787232	MIJMKRKOTRBFRI-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCNC1	2247787459	PKVGBGLQGUYRQB-NGZCFLSTSA-N	240.112	-0.645	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247807477	IIEHLAFLLZVLIL-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C(C)(F)F	2247847833	CCCUHUSEVGQRLE-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
Cc1cccc(CNC(=O)C#CB(O)O)c1F	2247848961	SSLSPAPDOYHIFN-UHFFFAOYSA-N	235.023	-0.234	50	10	BBGE	
C[C@H]1CCO[C@H]1CCN(C)C(=O)C#CB(O)O	2247849703	DHNCFRDYCDTAOV-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
CN(C[C@@H]1CCC(F)(F)C1)C(=O)C#CB(O)O	2247850089	JRYMVFBUVFQLHW-MRVPVSSYSA-N	245.034	-0.104	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247852060	OGJCKSUSXYDBGH-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@]2(CCN2)C1	2247860034	QVDIRQRUUFPZPR-NWGYLPEXSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccncc2B(O)O)[C@@H]1C	2247872649	WREOTQIFQCZNMO-HTQZYQBOSA-N	234.064	-0.758	50	10	BBGE	
CC1(C)CC[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2247874889	UHSPSNMDEWYZDS-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
O=C(N1C[C@@H](O)C2(CC2)C1)C1(B(O)O)CCC1	2247877766	JWVLOEUHZXSBOC-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247880314	ZDQAWAGUQYAVGV-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247880384	ZXCRKUYGEPUUGG-DTWKUNHWSA-N	239.080	-0.157	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894082	CBRNIGUPGDBAAK-KXUCPTDWSA-N	241.096	-0.317	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@@H](CO)C1	2247895010	NDJLCFCEQLNSBQ-BBBLOLIVSA-N	241.096	-0.530	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)nc1	2247895582	UESUNJGMWHPHMA-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
C[C@@H](CCCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895861	BVJRPOPRXXUPII-LPEHRKFASA-N	243.112	-0.093	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCC[C@H](CO)C1	2247898003	ZJHLCVLJUKEJEM-IVZWLZJFSA-N	241.096	-0.530	50	10	BBGE	
CN(C[C@@H]1CCCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2247898417	DGMRJKCASYMALG-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247900129	UFAFTTDMFHIODS-LRPJSKTQSA-N	238.096	-0.813	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900193	UXLDOEFURFXPBI-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
COC[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909035	DMZZSJVEQJKDKE-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249418612	WIJAEHGUVNIEFM-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C[C@H](CNC(=O)c1cc(B(O)O)co1)C1CC1	2249419025	BRXAYVBXLQOBHA-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](O)CN(CCOCC(=O)NN)C1CCC1	2250546173	QPYUCDZOFNPNHZ-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C#C[C@@H](NC(=O)c1coc(B(O)O)c1)C(C)(C)C	2255455599	BWRRTHZTDZLHRO-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
C=C1CCC(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2255464337	VBVUKVWRHWTFOH-UHFFFAOYSA-N	248.091	-0.077	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(C2CCC2)C1	2255469248	MMQXUBPMFBGXQC-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
CC12CCC(CC1)N2C(=O)c1c[nH]nc1B(O)O	2255549111	FILHOAWGZOTHHW-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@H]3C[C@@H]32)oc1B(O)O	2255573001	FXSPVBVJZYDBBK-IUCAKERBSA-N	249.075	-0.108	50	10	BBGE	
C#CCCCCC(=O)Nc1cc(B(O)O)ccn1	2256637885	WNDFTDJMVZJAQJ-UHFFFAOYSA-N	246.075	-0.107	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2ncco2)c1	2263394030	IFYQGYKQLLSNRQ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@@H]3C[C@H]23)nc1	2298225035	MFUBTJDPKAMIOL-JEZHCXPESA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2298370078	NPDDEKGJGMBEGC-DOLQZWNJSA-N	240.112	-0.789	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376394	UXLDOEFURFXPBI-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
Cc1cc(OCC2CN(C)C2)ncc1B(O)O	2298955011	LXYSHHSKCLOQNA-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
COC[C@H](OCc1ccncc1C)C(=O)NN	2301849956	DPVKWMJATGBYBC-JTQLQIEISA-N	239.275	-0.088	50	10	BBGE	
OB(O)c1ccnc(OCC2[C@H]3COC[C@H]23)c1	2302545214	MMSCAMDLLZSZFQ-IUCAKERBSA-N	235.048	-0.967	50	10	BBGE	
N[C@@H]1CC[C@H](Oc2cc(B(O)O)c(F)cn2)C1	2303859067	SJDGHSABKAYZNW-RQJHMYQMSA-N	240.043	-0.841	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CO[C@@H]3CNC[C@@H]32)CC1	2308778712	TUGBBTNTXKUULK-GRYCIOLGSA-N	247.298	-0.097	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2312849242	MMFPDSWRWZRXAY-HLTSFMKQSA-N	249.075	-0.122	50	10	BBGE	
NNC(=O)c1ccc(N2CCN(N)CC2)cc1	19167400	LDFVEYHQHYXISG-UHFFFAOYSA-N	235.291	-0.714	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CCN(CC(N)=O)CC1	37012389	NWQGNWDSHNUXFF-ZETCQYMHSA-N	247.726	-0.320	50	10	BBGE	
Cn1c(=O)c2c(ncn2CCl)n(C)c1=O	37637558	RSFVLTFUAYNYIX-UHFFFAOYSA-N	228.639	-0.370	50	10	BBGE	
C[C@@H](CS(=O)(=O)N1CCCCC1)C(=O)NN	41303655	VJWOMTRRZRTDRC-QMMMGPOBSA-N	249.336	-0.572	50	10	BBGE	
CC(=O)NNC(=O)/C(C#N)=C1\CCCN1	75615902	WBKRKYZOFSOMDK-BQYQJAHWSA-N	208.221	-0.685	50	10	BBGE	
COCCCN(CCOC)[C@H](C)C(=O)NN	82470049	LGHKDGKTONXKBM-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
C[C@H]1CCC(C=O)=C2NC=C(C(=O)O)C(=O)N21	105637419	ZHCMMQDZMWXGHP-LURJTMIESA-N	236.227	-0.021	50	10	BBGE	
OB(O)c1cccc(N2CC[C@H](F)C2)c1	203569058	KEBDOVACXYYWLZ-VIFPVBQESA-N	209.029	-0.085	50	10	BBGE	
OB(O)c1ccc(OCC2CCOCC2)nc1	206701066	RAVFWPIBFIXOBY-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1[C@@H](C)CC(=O)NN	216326558	FOOVRWSSYKULAU-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
NC(=O)NNC(=O)c1cnn2ccncc12	231927411	HFUXWGCJGKUPNC-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CNC(=O)CCN(C)C(=O)NC(=O)[C@H](C)Cl	234330298	BMIGXSPPRJVAQX-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
CCOC[C@](C)(O)/C(C)=N/NC(N)=O	238293216	ZDTAHIYCQXATRN-QMEHYBMDSA-N	203.242	-0.182	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251257409	XIRGXFHXEAOPJK-NRPADANISA-N	227.308	-0.257	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](C)C(=O)NC	300246016	FQAWHTKHMISZIE-IUCAKERBSA-N	244.339	-0.541	50	10	BBGE	
O=C1[C@@H](Br)CNC[C@@H]1[N+](=O)[O-]	306286191	KIQVKMLNAGWHKX-IMJSIDKUSA-N	223.026	-0.433	50	10	BBGE	
O[C@H]1CO[C@@H]2[C@H](Br)CO[C@H]12	307348793	CYDSHUXBYGPGJA-JGWLITMVSA-N	209.039	-0.092	50	10	BBGE	
CO[C@@]1(C)CCN(CCC(=O)NN)C1	308467612	AACBCVUXPKMKGS-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
CCOC(=O)[C@H](C#N)/C(C)=N/NC(N)=O	308682231	OGYDNTYUSOEHQM-VUSGQZFOSA-N	212.209	-0.267	50	10	BBGE	
Cc1nc([C@H]2CCCNC2)ccc1B(O)O	309377752	WFUBUGOZPSKUEQ-VIFPVBQESA-N	220.081	-0.463	50	10	BBGE	
C#CCN(C)CCCN1CC(=O)OC(=O)C1	327956690	BLDXPTIIBCJOJM-UHFFFAOYSA-N	224.260	-0.673	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CCCNC1	381483466	GGDGTYRHUQDUIG-SSDOTTSWSA-N	215.253	-0.237	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC(O)C1	384181594	WJZWDEQNZZOGLT-UHFFFAOYSA-N	211.221	-0.940	50	10	BBGE	
OCCCN(CCO)CCOCCCl	385394085	HHAXGWCXOKSNBA-UHFFFAOYSA-N	225.716	-0.082	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(CCC(=O)NN)C[C@@H]3C2	394367381	UBRJKKMSAJAHPJ-DWFQIMNCSA-N	239.319	-0.278	50	10	BBGE	
CC(=O)Cc1cc(/C=C\C(=O)O)cc(B(O)O)c1	396136179	HYRHCPQYAHNEDD-IHWYPQMZSA-N	248.043	-0.404	50	10	BBGE	
CNC(=O)[C@@H]1CCN(CCCCC(=O)NN)C1	398445216	AKDUDSLULQRSTO-SECBINFHSA-N	242.323	-0.786	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)CC(C)(C)C(=O)NN	399973245	JSWBCVDTKXAFTN-VPTHRUTESA-N	249.380	-0.299	50	10	BBGE	
NS(=O)(=O)N1CCOC[C@@H](Cl)C1	616661919	BUBOSOZLFSRDCB-YFKPBYRVSA-N	214.674	-0.871	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(C)[C@H](CO)C1	687597744	TVEGHRRGCRLKRU-IUCAKERBSA-N	234.727	-0.004	50	10	BBGE	
C[C@H](CN(CCO)CC(C)(C)C)C(=O)NN	689974893	VCSLRNZTGYEOPD-SECBINFHSA-N	231.340	-0.047	50	10	BBGE	
O=C(CBr)N1C[C@H](O)C[C@H]1CO	698215175	OPVDAZMFORZLJJ-NTSWFWBYSA-N	238.081	-0.665	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](OC(C)C)C1	701686474	SZRHMLOIESUQFB-UWVGGRQHSA-N	245.323	-0.509	50	10	BBGE	
Cc1nc(/C=C\C(=O)NCB(O)O)cs1	701960874	SUSKDNPHAJTPGX-IHWYPQMZSA-N	226.066	-0.407	50	10	BBGE	
Cn1cnc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)n1	703425996	UQLBPAFGHDFYRE-BQBZGAKWSA-N	236.231	-0.769	50	10	BBGE	
OB(O)c1cccc(F)c1O[C@H]1CCOC1	707071851	BGPIDVLUCKHLFV-ZETCQYMHSA-N	226.012	-0.327	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(n2cccn2)C1	707400027	RBVDQWLHFPUUNH-JTQLQIEISA-N	237.307	-0.246	50	10	BBGE	
C[C@H](O)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	719810742	JXGFOESAZXUWIT-IONNQARKSA-N	229.324	-0.296	50	10	BBGE	
C[C@]12CSC[C@H]1CN(CC(=O)NN)C2	725663088	AHRSXEHBGDJMRS-APPZFPTMSA-N	215.322	-0.339	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2cnn[nH]2)CCCC1	729456337	DCRZLBHAJQFPSS-UHFFFAOYSA-N	248.246	-0.350	50	10	BBGE	
CNC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	851682076	RRHOAXZEDUIFHU-HTQZYQBOSA-N	244.295	-0.896	50	10	BBGE	
COC(OC)C(=O)NNC(=O)NC(C)C	874246940	GGCJWKOMUXFENF-UHFFFAOYSA-N	219.241	-0.656	50	10	BBGE	
CN1CC[C@H](CC(=O)NNc2nc[nH]n2)C1	897778312	YUSIRIQGVJQNSI-SSDOTTSWSA-N	224.268	-0.410	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1ncccn1	1130013685	OBCVGVROIRXPEY-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
O=C(NNc1cccnn1)c1cc[n+]([O-])cc1	1152085362	IOGRQMFCSAFGDL-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1ncon1	1179588115	BZXYYPFOROOIBF-ONEGZZNKSA-N	247.214	-0.128	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1ncon1	1304245791	GLHDTIRMQSPCLL-IHWYPQMZSA-N	226.192	-0.967	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCc1ccnn1C	1332629751	ZIZSCHULXXKYIF-SECBINFHSA-N	240.307	-0.304	50	10	BBGE	
CN(NC(=O)c1ccc2nn[nH]c2n1)C(N)=O	1566497213	NDFNLOSTXLJXGR-UHFFFAOYSA-N	235.207	-0.992	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNc1cccnn1	1566757152	PIUWXANNNYSWDC-UHFFFAOYSA-N	234.223	-0.934	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1	1596418002	YJSHYLFZMNVDMO-QMMMGPOBSA-N	248.242	-0.733	50	10	BBGE	
O=S(=O)(NOCCCl)C1COC1	1881158830	IPVZWDKFUBKOHI-UHFFFAOYSA-N	215.658	-0.525	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CC(=O)NC1=O	1884196166	RIGUQQQWNJXCTN-DMTCNVIQSA-N	204.613	-0.855	50	10	BBGE	
O=C(CCl)N[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O	1884552475	BCXUGRPRCFPJDM-ZITKLIBNSA-N	219.668	-0.384	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1CC(=O)NN	1886248510	IJLXINBRSAPLMI-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1COC[C@H]1O	1893498218	QISHYXFLYINVNR-AUGZYCGMSA-N	219.624	-0.816	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)[C@@H]2C1	1894257940	ZYYKOOKFORLFDO-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
COC[C@@](C)(CN(C)C(=O)NN)OC	1895050462	ZJUVKVORDZATAB-MRVPVSSYSA-N	205.258	-0.447	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C(F)F)CC1=O	1895300590	OVYGCPJFABSUEG-NTSWFWBYSA-N	235.234	-0.132	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1895332426	MYDZRFOLXNIFEL-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
CN1CC(COCc2cscc2B(O)O)C1	1899514757	BEUCVRJBBZBHAI-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
N#CC1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	1900500832	DGEKBMTVNFSZNF-VHSXEESVSA-N	222.292	-0.152	50	10	BBGE	
CN(NC(=O)CCNCC1CC1)S(C)(=O)=O	1901375389	LEHKOWKSVTVWBV-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@H](N)C1(C)C)S(C)(=O)=O	1901377717	RVLUVSWVAFFEQN-NKWVEPMBSA-N	249.336	-0.718	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2COC[C@H]2C1)B(O)O	1901613744	QERUPYTYOARBHQ-NXEZZACHSA-N	225.097	-0.087	50	10	BBGE	
Cc1cn(C)nc1CN1CC[C@H](B(O)O)C1	1902513147	PRAIHPJHWBTMKI-VIFPVBQESA-N	223.085	-0.223	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	1904370514	PHAQQHBCHYIDDQ-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907268556	KAMLONGPYSEUNZ-AJBSGBCOSA-N	241.335	-0.439	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1c(F)cccc1B(O)O	1908960742	BNWCICQPWVMAIK-OIBJUYFYSA-N	240.039	-0.081	50	10	BBGE	
N#Cc1ccc(C(=O)NNCCO)cn1	1922318906	SDKHGZCGOYVFCD-UHFFFAOYSA-N	206.205	-0.820	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926423664	ZKVXMRKTIYWSIH-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)COCCOCCOC1CC1	1928178985	LCQOHJATVZUXMN-UHFFFAOYSA-N	218.253	-0.812	50	10	BBGE	
C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Cl	1928697221	XBPMHRBOFACDMY-RQJHMYQMSA-N	229.671	-0.241	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1COC[C@@H]1CO	1928736506	WAQJVHSXYZKITF-CSMHCCOUSA-N	221.684	-0.015	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CN(C)C[C@@H]1O	1928757091	AAXMKQLGPBKORR-VQVTYTSYSA-N	206.673	-0.595	50	10	BBGE	
O=C(CBr)N1C[C@H](O)[C@@H](F)C1	1929870239	NZYTYSFSYYKFGM-WHFBIAKZSA-N	226.045	-0.078	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2CCOC2)CC1	1931266309	DABTVSIEOLBIRL-MRVPVSSYSA-N	214.265	-0.190	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2OCC[C@@H]2C1	1931680865	LWXVHBQRQBQUMO-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
CN1CC2(C1)CN(C[C@H](O)CCl)C2	1932060596	JFEGFXBREDQUTQ-MRVPVSSYSA-N	204.701	-0.167	50	10	BBGE	
CSC1CN([C@H](C)CC(=O)NN)C1	1933240267	ZIXQBQMXUBDVNY-ZCFIWIBFSA-N	203.311	-0.198	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@@H]1C[C@H]1C(=O)NN	1936082410	FENZACMUDNHEHR-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
O=C(Cn1cnnn1)N1CCO[C@H](CCl)C1	1937160710	YODXGCMSPSRVGR-SSDOTTSWSA-N	245.670	-0.861	50	10	BBGE	
Cc1nccn(CC2(C(=O)NN)CC2)c1=O	1938258791	JXABZGBLQZBYCY-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
CN(CCOCC1CC1)C[C@H]1C[C@H]1C(=O)NN	1941090195	YQQUXFDGFFNZLY-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCCCNC(=O)CC1	1941351646	YMDXMOZDVADJJC-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2COCC[C@H]21	1941781099	XHMRSBQWRPIRFK-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
C[S@](=O)C1CN(S(=O)(=O)CCl)C1	1953701754	YMJAJKQKUWPYSW-NSHDSACASA-N	231.726	-0.425	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@H](O)CCl	1954822098	JUPTUTWTAHIUKR-RNFRBKRXSA-N	208.689	-0.218	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@]12CC2(F)F	1956902308	AMITVCWOSDGGPN-AWFVSMACSA-N	221.232	-0.104	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@@H](O)C1	1960249980	XSDKBCFDZXHVRP-BDAKNGLRSA-N	213.281	-0.766	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CO[C@@]2(CCOC2)C1	1975213662	ULZZLFRJODBVFH-CBAPKCEASA-N	215.253	-0.551	50	10	BBGE	
CNC(=O)C1(NC(=O)NC(=O)[C@H](C)Cl)CC1	1976520618	CRYCXSJNZXKAEQ-YFKPBYRVSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2CC[C@H](O)C[C@@H]21	1979577278	KDLPGSCEFGOEOA-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(OC)CC1	1979962557	WAZDYINBDQCGOP-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1	1980279229	ILKOEDCZHXDQCN-SSDOTTSWSA-N	227.264	-0.996	50	10	BBGE	
C[C@@H](CN)SCc1c(C(=O)NN)cnn1C	1980593687	OVKRAIOCKALUBW-LURJTMIESA-N	243.336	-0.396	50	10	BBGE	
CSCCCN(C)c1ccc(B(O)O)cn1	1981414912	XQBUNYMEPZDASS-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
CCC1(F)CN(c2ncccc2B(O)O)C1	1981423272	BJSJGLQLXRUIIT-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@H](C1CC1)N(C)c1ccncc1B(O)O	1981425713	JMMXPGGWGBGIGX-MRVPVSSYSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccncc2B(O)O)CO1	1981430536	PEUCDDYGCMHBLD-SFYZADRCSA-N	223.037	-0.682	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(C)C)n1	1981469396	RRXONTVNDTZTGP-UHFFFAOYSA-N	223.085	-0.443	50	10	BBGE	
CCN(CC)CCOCCOCC(=O)NN	1982847781	CNRRKTXHMONBSA-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
CC(C)(CN1CC[C@@H]1C(C)(C)O)C(=O)NN	1989119101	QUZPDNYTGSLKAL-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C(=O)C=CC(=O)Cl)C1	1991647167	AGRUDHLXJXWBSI-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)C[C@H]1C#N	1991655578	XOKKYJZYKDEKPY-MRVPVSSYSA-N	241.678	-0.026	50	10	BBGE	
C=C(CN1CCCN(C2CC2)CC1)B(O)O	1992144624	CMUNTESIPRROAM-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](NC2CC(Cl)C2)C1	1995043524	YJADRSBMRNTXMJ-BMNUFHGDSA-N	249.738	-0.160	50	10	BBGE	
O=C(NCB(O)O)C1C[C@H]2COC[C@H](C1)C2	1995164832	RAOVSUABOPLAEJ-YUMQZZPRSA-N	227.069	-0.823	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)[C@H]2COC[C@H]12	1996485669	UIPLENOECRFJOV-XFWSIPNHSA-N	243.307	-0.900	50	10	BBGE	
CC(C)(C)c1ncc(CNC(=O)C(=O)NN)o1	1997829991	ZRUUAUZIGYYABV-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
C[C@@H](CN1Cc2cnn(C)c2[C@@H]1C)C(=O)NN	2003028945	ZXGRXKJAAZJJFH-YUMQZZPRSA-N	237.307	-0.077	50	10	BBGE	
CC[C@](C)(COc1ncc(B(O)O)cn1)OC	2004924505	CSMWRYQFLMZAHW-SNVBAGLBSA-N	240.068	-0.650	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C2(CCCCC2)C1	2006030041	KJMXUSOIRKRFTJ-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CO)CCC1CC2	2009105812	VRMHZWBUJQEOKK-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN1CCC[C@H](C2(O)CC2)C1)C(=O)NN	2013933702	QZGJYFJZKLCMDD-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@H](C)[C@@H](C)C(=O)NN	2014232071	AOMYORAQDCYPML-CHWFTXMASA-N	240.351	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022936	YYMWQFWGKHPBHH-ZFIOGYDESA-N	239.319	-0.138	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1CCOC[C@@H]1F	2020497209	SGXKUMUBUGCIJQ-WPRPVWTQSA-N	241.027	-0.733	50	10	BBGE	
Cc1cc(CN(C)C[C@H](C)C(=O)NN)ncn1	2025894895	FHAYOGQDBMPCPS-QMMMGPOBSA-N	237.307	-0.157	50	10	BBGE	
Cc1cc(Cn2ccc(B(O)O)n2)ccc1C#N	2035948075	UREUEVJVLAPAPT-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
Cc1cnn(C)c1COc1cncc(B(O)O)c1	2036789300	WAFLBOQNWMGDSC-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CN1CCN(C)[C@H](C(=O)N2CC=C(C#N)CC2)C1	2038248133	BAJITIKYIKXXHN-LBPRGKRZSA-N	248.330	-0.086	50	10	BBGE	
N#Cc1c(B(O)O)ccc(C=O)c1Cl	2060092211	SOXGDAOXVRFDEZ-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CS(C)(=O)=NCC1(C(=O)NN)CCOCC1	2212445351	ZUFISYJPWUGKOV-UHFFFAOYSA-N	249.336	-0.499	50	10	BBGE	
C=CCCCCN=c1cc(B(O)O)cc[nH]1	2212601912	VWGNXAOOBZEBJD-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CC[C@H](CCO)Nc1ccc(B(O)O)cn1	2212604554	QFHYKDAMNOSSHD-SECBINFHSA-N	224.069	-0.666	50	10	BBGE	
OCC1(Nc2cc(B(O)O)ccn2)CCC1	2212611346	ZNWXZWYFNKRDBE-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC=CC1	2212615486	PUQPLYWEAYQSEE-UHFFFAOYSA-N	219.053	-0.689	50	10	BBGE	
CC(C)=C(C)Cn1cc(B(O)O)cnc1=O	2212716186	YAHZTTHMUUGIQA-UHFFFAOYSA-N	222.053	-0.721	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H]2CO)CCC1	2216528445	OZIZCTNBBCGKJJ-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3[C@@H]2C[C@H]3O)CCC1	2216535265	YIPSLGDRDXHVGP-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
OC[C@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217176797	ANAHSNLCZCSVFY-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cccnc1NCc1cccnn1	2217176819	ATXBOYHLCVKFEI-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
COC[C@@H](C)N(C)c1nccc(B(O)O)c1F	2217182088	YXZMPRZOLWMRTN-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
Cc1c[nH]c(=NCCOC(C)C)cc1B(O)O	2217184493	UGAPMOGEBCTLLL-UHFFFAOYSA-N	238.096	-0.671	50	10	BBGE	
CC[C@H]1CNC[C@H]1Oc1ccc(B(O)O)cn1	2217193778	XJYNOWQOFZLXPK-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
C[C@](O)(CNc1ncccc1B(O)O)C1CC1	2217203827	AVMLRWFKRAJISL-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CC[C@@H]1N	2220061783	DJUWTDZRCYLPGJ-GWCFXTLKSA-N	248.135	-0.465	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCCCN1	2223626254	HDGCMZDACWRMOX-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNCC2(CC2)C1	2223628662	UZBSJPVZSBKFNI-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CN[C@@H](C2)C1	2223634819	OWDCRTJFQKMZFK-LPEHRKFASA-N	247.107	-0.686	50	10	BBGE	
CN1CCC[C@H](N(C)c2cc(B(O)O)ccn2)C1	2223675252	QKDQTVCLTJLZKT-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)nn1C	2223678582	DNDYISVLYFMOJD-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCCNC1	2223679202	MNWXRONKFRUCDL-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658709	HAURLOWPMTUKBD-DBRKOABJSA-N	206.673	-0.420	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H]1[C@H](O)CO	2241830372	KDFDBYYHZWQXMO-ULAWRXDQSA-N	219.668	-0.432	50	10	BBGE	
OB(O)c1ccn(CC(Cl)=CCl)n1	2242547306	HJUGLDOEBNJFHM-UHFFFAOYSA-N	220.852	-0.118	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccoc1B(O)O	2243349988	UBTXXVPNAIRVCU-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
C=C(C)CONC(=O)c1ncsc1B(O)O	2243358557	HYYYTDLZZRVFGJ-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CC1	2243363145	BPSWBKDDCATSFF-OCAPTIKFSA-N	226.085	-0.621	50	10	BBGE	
CONC(=O)c1cc(Cl)c(C)c(B(O)O)c1	2243364930	FIWYGLVPPBNBER-UHFFFAOYSA-N	243.455	-0.381	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1sncc1B(O)O	2243377758	GQFYHTXRTXTTQF-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243390752	APPYHKQWFRUPMT-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)O1	2243392732	WMHIUBVRIKQGRN-GJMOJQLCSA-N	227.069	-0.467	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396408	LTMSJDLPLATWID-CIUDSAMLSA-N	226.085	-0.988	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243396729	PZPAUZGZXZMAEF-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CC[C@@H]1N	2243404825	VDZFXBLXZAHILO-KZVJFYERSA-N	226.085	-0.813	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CSC1	2243408349	LNHMWUNTOYGZNG-UHFFFAOYSA-N	241.077	-0.887	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1occc1B(O)O	2243410853	IYASDGCCDJMWPY-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
N#CC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2243427508	WNXOFJKQQDPYFB-BDAKNGLRSA-N	222.053	-0.389	50	10	BBGE	
Cn1cc(B(O)O)c(C(=O)OC(C)(C)C)n1	2243459579	GGSJBEPSAJJODC-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccsc1B(O)O	2244143299	JGHOWEWKMXYGLI-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)co1	2244206509	XNMSJBOIHMRUAH-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
N#CC1(O)CCN(c2cnncc2N)CC1	2246298119	SWGXNGBXMAXXGK-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
CCOCCCOc1cc(B(O)O)cnc1C	2246744896	TWXAHERNGBDKDN-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@@H]1CCCOC1	2246820532	AURIQSUWLKENQK-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)NCC=CB(O)O)C1	2246935697	RBURHAOICQDTLJ-KYZUINATSA-N	242.084	-0.579	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)C1(B(O)O)CCC1	2247733009	KOYLKMHQHULXGV-UHFFFAOYSA-N	237.068	-0.235	50	10	BBGE	
CN(C[C@H]1COC(C)(C)C1)C(=O)C#CB(O)O	2247740919	RMJZNURKSXBFSK-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
NCCC[C@@H]1CCCCN1C(=O)C#CB(O)O	2247747244	KTTXQOOPBBUAPW-JTQLQIEISA-N	238.096	-0.878	50	10	BBGE	
CC1(NC(=O)c2cccc(B(O)O)c2F)CC1	2247752204	KQJWNFJIEKSHIR-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CCOC1CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247797554	KUHDUMPMNJPRFF-HORUIINNSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1cc(B(O)O)c[nH]1	2247850396	ODQBPHLHLISQMB-POYBYMJQSA-N	240.043	-0.876	50	10	BBGE	
NCC1CC2(CCN2C(=O)[C@H]2C[C@H]2B(O)O)C1	2247887028	JJEPJUYNIMZKCB-UVCIYIGYSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1COCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895866	BXZTWNMVCIBBHO-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
C=C(C)C(=O)Nc1cc(B(O)O)ccc1OC	2248414954	SELFBFCZGGDFEO-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
C=CC=CCCNC(=O)c1cocc1B(O)O	2249416181	NZSWMZQAGILSDK-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1cocc1B(O)O	2249416842	XVIJMWDCDZNTIR-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
Cc1ccnc(C(=O)NCCC#CB(O)O)c1	2249998952	PILCGOSHMGWZPF-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	2250007574	BGVPMMRWVFXILX-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
Cc1cccc(NC(=O)c2ccc(B(O)O)o2)n1	2255467277	KPNNBJLVUSUJIM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1ncc[nH]1	2255468125	WJYBXUGLXHJYJR-SECBINFHSA-N	247.063	-0.521	50	10	BBGE	
CN(CCc1ncccn1)C(=O)C1(B(O)O)CC1	2255487997	XRAGYMQDBHOYCD-UHFFFAOYSA-N	249.079	-0.516	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1ccc(B(O)O)cn1	2255515881	DDXRQGJIMOJZSR-PRHODGIISA-N	246.075	-0.566	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1C[C@H]2CCCC[C@H]21	2255555009	UZPZJXVPJJMWBU-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)cc2C)C1	2255684811	QPRWBOGIMFQCHP-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)cn1)C2	2255710418	KHBDHCSMKPTPCJ-UFBFGSQYSA-N	246.075	-0.757	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N(C)C1CC1	2255745990	UDGWXYOTRPTISN-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@H]1[C@@H]2CO	2298166490	QYSFJYWAYSROGK-MFDAYCCISA-N	239.319	-0.685	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2NCC[C@H]21	2298369572	YOGFKKXFVOXEJP-SGIHWFKDSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CO1)[C@H]1C[C@H]1B(O)O	2298375423	JIUMRFUOPDTEOX-HRDYMLBCSA-N	239.080	-0.465	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2299580432	GKSNYCSKPVSWKV-XHNCKOQMSA-N	241.096	-0.362	50	10	BBGE	
O=C([C@@H]1[C@H]2COCC[C@H]21)N1CC[C@H](B(O)O)C1	2303111199	HBQADSLYOUTIAJ-JXUBOQSCSA-N	239.080	-0.656	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CNC[C@@H]1F	2303697253	CMMSZQUTELFMIP-UYXSQOIJSA-N	244.075	-0.992	50	10	BBGE	
COCCCCN=c1cc(B(O)O)c(F)c[nH]1	2303835318	VFTAXPDUNKHXEU-UHFFFAOYSA-N	242.059	-0.839	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2cc(B(O)O)c(F)cn2)C1	2303853205	SJDGHSABKAYZNW-NKWVEPMBSA-N	240.043	-0.841	50	10	BBGE	
C[C@@]1(COc2ccc(B(O)O)cc2C#N)CCN1	2317210886	GLLFLTWCYDOXRF-LBPRGKRZSA-N	246.075	-0.631	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1CCc2cc(B(O)O)ccc21	2319329580	QASDXVSDPUVLIY-NSHDSACASA-N	243.071	-0.168	50	10	BBGE	
N#CC(=CNc1ncccn1)C(=O)NCC(=O)O	2324946440	SPPUAXVTVUVOQP-UHFFFAOYSA-N	247.214	-0.503	50	10	BBGE	
C[C@@H](C(=O)NN)N1C(=O)c2ccccc2C1=O	3071070	JZAIKXBZCRODBA-LURJTMIESA-N	233.227	-0.339	50	10	BBGE	
CC(=O)NNC(=S)NC[C@@H]1CCCO1	5518426	ZRQHRKJRAQUGHH-ZETCQYMHSA-N	217.294	-0.319	50	10	BBGE	
CC(=O)NNC(=O)CSc1nnc(N)s1	7534423	VMXHMFDAVBYCNP-UHFFFAOYSA-N	247.305	-0.620	50	10	BBGE	
CCOC(=O)C(=O)NNC(=S)S	39475214	ZRJJPCXVDPDEPQ-UHFFFAOYSA-N	208.264	-0.615	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1C=O	54237334	CZKDVSJTVMIVHM-SECBINFHSA-N	227.264	-0.793	50	10	BBGE	
O=C1N=C(O)N[C@@H](C(=O)O)[C@@H]1Br	62722499	TWHXMCSPQHQVFV-NHYDCYSISA-N	237.009	-0.753	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@]1(C)C(=O)O	79487435	FIGPGFRJFSCINX-JTQLQIEISA-N	243.263	-0.907	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1CC(O)C2	82598437	SYCGUGOEWSYTOI-ULKQDVFKSA-N	227.308	-0.256	50	10	BBGE	
NC(=S)NNC(=O)CC(F)(F)F	83590791	BMPSLYWIMLGVDM-UHFFFAOYSA-N	201.173	-0.197	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CC(=O)N(C)C1=O	84083815	KCEJVAOEGPWBMO-WDSKDSINSA-N	232.667	-0.265	50	10	BBGE	
CC(=O)N1CCN(CC(C)(C)C(=O)NN)CC1	93727848	BTICTJZNTVCMCV-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
CCCCOCCCNC(=O)C(=O)NN	123177077	GGLHRQWZKZYNNL-UHFFFAOYSA-N	217.269	-0.701	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)CBr	135313947	GLSXKTLFQNUDOR-SCSAIBSYSA-N	223.070	-0.239	50	10	BBGE	
C[C@H](CN(C)CC1(O)CCOCC1)C(=O)NN	162490322	AMZAXGDXUWZZLK-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1C[C@@H](C)C(=O)NN	216326605	KBTQNUVLKDTIEF-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@@H](C)CCl	227260610	NOJRNYJDVKPMFF-NTSWFWBYSA-N	223.656	-0.489	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCN(C)C(C)(C)C1	232420211	BWVDRFQQZOKKDG-SECBINFHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@@H](Sc1ccc(N)cn1)C(=O)NN	232421554	KPOUTOOOJYIFGY-SSDOTTSWSA-N	242.304	-0.239	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](C)(O)C1	233294093	GJIWBIDHLQXXEI-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CN)SS(=O)(=O)[C@H](C)CN	238405320	WLTCGIGDHXDEJY-NTSWFWBYSA-N	212.340	-0.256	50	10	BBGE	
O=C(O)Cn1c(CCl)cc(=O)[nH]c1=O	238628961	MSMPUWBLYMJMOF-UHFFFAOYSA-N	218.596	-0.640	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1N1CC(=O)OC(=O)C1	253283478	MAXXHLBACPBBIU-RKDXNWHRSA-N	226.276	-0.288	50	10	BBGE	
CN1CC[C@@H]([C@@H](N)CC(=O)NN(C)C)C1	259146451	UJADUGYJFWBIDY-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CC(C)(CN1CCC[C@H]1CCO)C(=O)NN	304497099	DJWXFTQEYWLSLS-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
NNc1cc(B(O)O)ccc1CBr	306900150	KZCJMJQHWZYFTP-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
Cc1cc(Br)cnc1B(O)O	307111114	OIGJASMJOAFSMT-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(F)C(F)(F)C1	313296699	FFDKTXYSNBLJMO-BYPYZUCNSA-N	229.177	-0.049	50	10	BBGE	
COC(=O)Cc1ccc(OC)c(B(O)O)c1	380506079	ISHVGRZAQNTANB-UHFFFAOYSA-N	224.021	-0.910	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2	381544520	JOJVBJBGFNZXIY-WCTZXXKLSA-N	226.232	-0.767	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(CC(N)=O)C1	382273937	QBSPUVPKXKYIDP-SECBINFHSA-N	242.323	-0.802	50	10	BBGE	
CCCC1(O)CN([C@@H](C)C(=O)NN)C1	384130249	LEDMSZDMEHLOQF-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](O)[C@@H](C)N=c1[nH]c(CCCl)nc(=N)[nH]1	387052065	UBXINTVYGPJANU-RITPCOANSA-N	245.714	-0.331	50	10	BBGE	
N#CCc1ccc(CCC=O)cc1B(O)O	396141316	ZGFAOCIUBQATNO-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Nc1c(B(O)O)c(C(=O)O)cc2sccc12	396235094	AULVBXHDXRNCDV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
NNC(=O)CCCSCCC(N)=O	399154170	HPUWJSYUTACJKG-UHFFFAOYSA-N	205.283	-0.635	50	10	BBGE	
C[C@H]1C[C@H](N(C)Cc2ccc(B(O)O)cc2)CO1	401459265	ITZXJXLUIUEQHG-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1cn[nH]c1	404945934	OCNOKBDPRJEANU-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CC[C@](C)(CO)NCc1cccc(B(O)O)c1	585032055	AKFIPNIBGISOGP-GFCCVEGCSA-N	237.108	-0.383	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(C)CCOC1	687519578	MVGLOJUAZNGGHZ-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1[C@@H](C)C(=O)NN	688638294	HPUBVTYLFXTMAC-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC(F)CC2)O1	689093734	YMAVJRZPSYKUBR-NXEZZACHSA-N	245.298	-0.042	50	10	BBGE	
Cc1nc(Cn2cc(B(O)O)cn2)cs1	689662382	AGXGKJBCLYRPHA-UHFFFAOYSA-N	223.066	-0.624	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)CC(F)F	697686958	IDILURMUZQHXLB-BYPYZUCNSA-N	209.196	-0.616	50	10	BBGE	
O=S1(=O)CCCc2cc(B(O)O)ccc21	701289833	KLJQSIOGISINBK-UHFFFAOYSA-N	226.062	-0.914	50	10	BBGE	
NNC(=O)C(=O)NCCC1(F)CCC1	702462248	APCCOAPNBDTRBE-UHFFFAOYSA-N	203.217	-0.625	50	10	BBGE	
N#CC1(O)CCN(Cc2ccc(N)nn2)CC1	703953541	TVGWTRDNMJULRD-UHFFFAOYSA-N	233.275	-0.091	50	10	BBGE	
C[C@H](CS(C)(=O)=O)N(C)C[C@@H](O)CCl	708492214	NLDSBXIINDQMFT-SFYZADRCSA-N	243.756	-0.049	50	10	BBGE	
N#CC1(O)CCN(c2ccc(CO)nn2)CC1	709271414	KHBIHZMIGAQULF-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
C[C@H](CN1CCCC[C@]1(C)CO)C(=O)NN	723023264	PLLBWYFEDJSEEO-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724815745	GQLIBXLZYZTRAH-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CN(Cc1c[n+](C)n[nH]1)[S@@+]([O])(=O)CCl	725702972	UKWVSUFBGMNLPB-UHFFFAOYSA-O	239.708	-0.378	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846385850	DNNZPKFGMMEMHN-FNCVBFRFSA-N	242.275	-0.264	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNC(=O)CO)C(C)(C)O1	863903762	SPRDIJHMPXQDQZ-ZETCQYMHSA-N	244.291	-0.280	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2CCN2)C[C@H]1Cl	953103139	FGKHJKZCVLJHKP-NTSWFWBYSA-N	217.656	-0.493	50	10	BBGE	
C=C(COOO)Cc1ccc(B(O)O)cc1	1088207804	MGVODYCACJQQBV-UHFFFAOYSA-N	224.021	-0.114	50	10	BBGE	
CN(NC(=O)c1ccc(C=O)n1C)C(N)=O	1137624613	ZYPRWOXUKIGGGP-UHFFFAOYSA-N	224.220	-0.507	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1ccnnc1	1142451290	OTHAQWSSQNLNIM-IHWYPQMZSA-N	206.205	-0.186	50	10	BBGE	
C[C@@H](C#N)C(=O)NCCSS(C)(=O)=O	1152961025	WBSPTBNPDMVBDA-LURJTMIESA-N	236.318	-0.045	50	10	BBGE	
CCO/C=C(/C#N)C(=O)Nc1nnn(C)n1	1633295793	TYSFOYUZJFYMQF-WAYWQWQTSA-N	222.208	-0.407	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc(C(N)=O)[nH]2)n1	1654551815	HZSFFEXQYOLKFF-UHFFFAOYSA-N	248.246	-0.396	50	10	BBGE	
O=C(CCl)N[C@H]1CCn2nnnc2C1	1875665742	CLJPSMYSIQOXMK-YFKPBYRVSA-N	215.644	-0.657	50	10	BBGE	
Cl[C@H]1C[C@@H]1CNCCn1ncnn1	1883555120	XFVDWWXXWOFTJT-RQJHMYQMSA-N	201.661	-0.110	50	10	BBGE	
NC[C@@H]1CNCCN1C[C@@H]1C[C@@H]1Cl	1883567369	OSVIYAMMTUKEHB-YIZRAAEISA-N	203.717	-0.154	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@H]1[C@H](O)CO	1885377689	DZNQKBNKCFDESG-DJLDLDEBSA-N	218.684	-0.065	50	10	BBGE	
O=C(N[C@H](CCO)C(=O)O)[C@@H]1C[C@H]1Cl	1893475062	PKLMFHJMGVZVPH-HSUXUTPPSA-N	221.640	-0.435	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=O)CCCCO1	1896734913	IUQHWDQXGWYDMV-MRVPVSSYSA-N	201.226	-0.355	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1CO	1897987142	LNSYXECARSXDIQ-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CC1(O)CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	1900533383	HNKADMSWHYWZHL-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H]1CN	1901338927	FOIYIWVXCLNOGE-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
COC[C@H](OCc1ccccn1)C(=O)NN	1901613420	MKXRDQAQUHNWLG-VIFPVBQESA-N	225.248	-0.397	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC=C[C@@H](O)C1	1901768149	ZHAYWKMHJHGYDT-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
OB(O)c1csc(OCC2[C@@H]3COC[C@@H]23)n1	1902197429	CXPFWLAWBHLSJZ-PHDIDXHHSA-N	241.077	-0.906	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2ccnnc2)C1	1902533696	BQJOZVGWKJVAGH-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)CC1(F)CC1	1902638110	VXIYKBPBLLHMGU-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
C[C@@H](CCO)Sc1cc(B(O)O)c(F)cn1	1903006442	TZNJROJDTZQVCA-LURJTMIESA-N	245.084	-0.237	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC23COC3)C1	1908359569	WCDAAJGGIMZKEP-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
COc1ccc(CN2CC(=O)OC(=O)C2)nc1	1913585869	YKHGEHFLXRUYAW-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@]12CCOC2	1915570665	DKQIZCOVIUZJLU-QMMMGPOBSA-N	235.234	-0.524	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CCOC2)C1	1915584543	ZROILWRNKGQVOV-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CCOC(=O)[C@H](N)C(=O)N1CC=C(C#N)CC1	1917055181	UILQHEYVULETNP-SECBINFHSA-N	237.259	-0.441	50	10	BBGE	
C[C@@]1(OCCOCC(=O)NN)CCOC1	1928536451	ILUHJJJNISHVOV-SECBINFHSA-N	218.253	-0.812	50	10	BBGE	
CS(=O)(=O)CCN[C@H]1COC[C@@H]1CCl	1928744999	WTUCPZYDYPMSKU-YUMQZZPRSA-N	241.740	-0.126	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@@H]1CO)C(=O)NN	1929740071	DVXDBAFVODJMDO-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)C(=O)C(=O)NN	1930487433	YFCVRSMYKZGRMV-JIGDXULJSA-N	211.265	-0.519	50	10	BBGE	
CC[C@@]1(O)CCN([C@H](C)CC(=O)NN)C1	1930891048	XSNHPJQJKSYPCI-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
Cn1c(=O)n(C)n(CCBr)c1=O	1934714682	NKZHRGQGHPCNGI-UHFFFAOYSA-N	236.069	-0.720	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC(F)(F)C(=O)NN)CO1	1935924319	AWUNVEFCSAGNRZ-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C(=O)[C@@H]1C	1935925852	LSNAMFUSCOOMBX-NTSWFWBYSA-N	235.234	-0.274	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CCC[C@@H]1O	1935929421	ONRXEGXUTZTVSO-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@H](C)C1	1936675196	DEMJEACKCYPMQI-SSDOTTSWSA-N	227.264	-0.935	50	10	BBGE	
Cc1cc2n(n1)CCN(CCC(=O)NN)C2	1936914187	GBDSTFZCEOTZFV-UHFFFAOYSA-N	223.280	-0.613	50	10	BBGE	
CN(CC(C)(C)CO)CC(F)(F)C(=O)NN	1938122877	UJSUCSQMAMXKIB-UHFFFAOYSA-N	239.266	-0.438	50	10	BBGE	
CCn1nncc1CN(C)CCC(=O)NN	1939600676	DHCBQWPUXHODFI-UHFFFAOYSA-N	226.284	-0.890	50	10	BBGE	
NNC(=O)c1cncc(CN2CC[C@H](O)C2)c1	1940579999	ACPZCTRRCSNBHL-JTQLQIEISA-N	236.275	-0.748	50	10	BBGE	
Cc1cc(C)n(C[C@H]2C[C@@H]2C(=O)NN)c(=O)n1	1941089786	XDWLBZAJUMWWBW-BDAKNGLRSA-N	236.275	-0.514	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@@H](C1=O)C2(F)F	1941092867	CMYOYDFTKKZQPK-VZFHVOOUSA-N	245.229	-0.664	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)[C@H]1C[C@H]1C	1958270566	SDINLSNMYGXWNE-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@@H]1CO	1960268908	KLITXZFMNQPLNP-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
CC[C@@H](O)[C@H]1CCCCN1CC(=O)NN	1961311090	PTDRABIEQYTHSV-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
COC[C@H](O[C@@H]1CO[C@H](C)C1)C(=O)NN	1961628862	MEENZNQPUDBPGG-CSMHCCOUSA-N	218.253	-0.815	50	10	BBGE	
C=C1COC[C@H]1NC(=O)c1ccc(B(O)O)cc1	1962788816	AWHLVTOMUHXZGN-LLVKDONJSA-N	247.059	-0.949	50	10	BBGE	
CCCOC(=O)Nc1ncc(B(O)O)cn1	1976031457	HZSKXIPCXROUJT-UHFFFAOYSA-N	225.013	-0.885	50	10	BBGE	
CC(C)CCC(=O)N=c1nc(B(O)O)[nH]s1	1979352749	BYORQIGRDDVNNF-UHFFFAOYSA-N	243.097	-0.986	50	10	BBGE	
NNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1	1980828383	NCUIKLIHKQDVCC-AEJSXWLSSA-N	224.308	-0.014	50	10	BBGE	
CC12CC(C1)N(c1ccc(B(O)O)cn1)C2	1981408410	ADKLSOWUXWTENX-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H](C(F)F)C2)n1	1981468401	BFPKRNLDBXNSCQ-RXMQYKEDSA-N	248.063	-0.086	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@H]32)c(F)c1	1981472849	UHMAOUSXGPWAJN-IMTBSYHQSA-N	222.028	-0.501	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2CF)c(B(O)O)c1	1986085384	VPGBKWHIEQTIGP-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(O)CCCCC1	1986955499	ZREORHAAFMVVEJ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CC(C)(C)C(=O)NN	1987555978	FBYGFDJNJCBTBK-DTORHVGOSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@H](C)CCC(=O)NN	1997351282	KPOPDWKVVPLNLG-UTLUCORTSA-N	247.339	-0.791	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC12CC(CO)C2	1997986272	HOBPOCXPSLQQRQ-YZRBJQDESA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](OCCO)C1	2001033455	IKALYYANECCVBA-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@]2(CO)C[C@@]2(C)C1	2001045030	DUMQNSQGXWTCNF-QSFUFRPTSA-N	241.335	-0.295	50	10	BBGE	
CNCCC[C@@H](C)N(C)CC(=O)NNC(C)=O	2002723990	FPAXOBCQNQZBNT-SECBINFHSA-N	244.339	-0.526	50	10	BBGE	
Cc1ccc(C#CCN)c(C(=O)NN(C)C)n1	2003269353	VTJULEKFUFJVON-UHFFFAOYSA-N	232.287	-0.093	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(CCC#N)CC1	2003828834	RVEULEUFDJYAAY-SNVBAGLBSA-N	239.323	-0.714	50	10	BBGE	
Cc1nc(N(C)CCC(F)F)ncc1B(O)O	2004972939	NFOPKRIGWFBLEQ-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C(C)C)ncc1B(O)O	2004973856	AZXJMRNJELPIJT-SNVBAGLBSA-N	235.096	-0.300	50	10	BBGE	
CO[C@H]1CCN(c2ncc(B(O)O)cc2C)C1	2005015674	DKUXSSVAUFBYAA-JTQLQIEISA-N	236.080	-0.705	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@H]1CCOC1	2005016091	KPJSLWSSRRCQLM-JTQLQIEISA-N	236.080	-0.705	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(O)CCCNC2)CC1	2011936638	HRAYPRLLCBYLLT-GFCCVEGCSA-N	235.287	-0.217	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2COC[C@H]21	2013469068	SGAHBMSBQROINN-VXNVDRBHSA-N	237.259	-0.286	50	10	BBGE	
CC(=O)NNC(=O)CN(CCN)C1CCCC1	2013665677	ZLCRKFGXGCEKPC-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2[C@H](C(=O)NN)C(C)(C)C	2014231338	JEGTWSDRYYSDIG-IVZWLZJFSA-N	240.351	-0.221	50	10	BBGE	
Cc1cc(N(C)C[C@H]2C[C@@H]2F)ncc1B(O)O	2014736305	VWSBEFKIVOUKDT-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
CC12CC(CN1c1ncc(F)cc1B(O)O)C2	2014924794	QCPMFKVLMQBIOP-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@@H]2C[C@H]2C1	2022199347	DBNNPONZRPWZRF-IUCAKERBSA-N	231.060	-0.542	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@@H]1C[C@@H]1C(=O)NN	2028055034	ZVDGTLMIMLLTMF-UWVGGRQHSA-N	246.270	-0.346	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3NCCC[C@@H]32)CC1	2033608882	TWXKXZPNQKJTJL-MXWKQRLJSA-N	249.314	-0.139	50	10	BBGE	
CCN1CCN(c2ccncc2B(O)O)C[C@H]1C	2052498512	FIUPNIQTAILUHB-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CCOc1ccc(C=O)c(B(O)O)c1C#N	2060176297	GMKXQFSMBHEXHW-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1c(OC(F)F)ccc(C#N)c1B(O)O	2060303238	KSYIQMQKEXCDPU-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070853221	YOPIQYQTEZIPHF-YBSMEWOOSA-N	245.091	-0.753	50	10	BBGE	
O=C(CCOc1ccccc1)NCC#CB(O)O	2077482314	FWGRMWGNDKZDPQ-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccc(B(O)O)cc2)[C@H]1C	2079008386	IWOLVVBRLWFIPE-IUCAKERBSA-N	247.103	-0.002	50	10	BBGE	
OB(O)c1ccnc(OCCF)c1F	2210066313	UHBAMDRSLCGTQM-UHFFFAOYSA-N	202.953	-0.751	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@]1(C)CO	2211780116	APPGXNRGACJPJV-ATZCPNFKSA-N	227.308	-0.376	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CC1(C(=O)NN)CCC1	2212265587	ICGPVNZCRITKKJ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cccnc1NCc1ccns1	2212615598	RHVBTSNODRQHOS-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC(F)(F)C1=O	2215776787	OWDNEHAEYDAWKH-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
C#CC[C@@H](Nc1cc(B(O)O)ccn1)C1CC1	2217176013	QJCOEUFAHJLHHH-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1OCC[C@H]1F	2217177864	OMKZWFYTKKSIFA-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
Cn1cnc(CNc2ccc(B(O)O)cn2)c1	2217179157	HEIFHZCHGWWVFN-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3C[C@@H]32)c1F	2217181468	QFNNCHBKELYHSX-CBAPKCEASA-N	236.055	-0.111	50	10	BBGE	
C[C@@H]1C[C@@H]1NCCOc1ccc(B(O)O)cn1	2217182748	CKBKTTXWIGNDBB-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CCC[C@](C)(CN)Oc1ccc(B(O)O)cn1	2217193714	WPYOTGJOFDDKOE-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1CN	2220062593	MCZPPZXWIBKKPH-CMPLNLGQSA-N	248.135	-0.607	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@H]2Nc1ncccc1B(O)O	2223632370	IVINWRHIESIDMZ-MKPLZMMCSA-N	248.091	-0.666	50	10	BBGE	
CCN1CCC(Nc2ncccc2B(O)O)CC1	2223674585	MBZXCAAGOFOTQI-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cscc1B(O)O	2243348485	YGHKDIUCYJWERL-RCOVLWMOSA-N	239.105	-0.092	50	10	BBGE	
C=CC1(NC(=O)c2csc(B(O)O)c2)CC1	2243356194	CPOGKPLWLJVNNY-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C(F)(F)C12CC2	2243356336	GGCFHVQISTUEMH-LURJTMIESA-N	228.991	-0.837	50	10	BBGE	
C[C@@](CO)(NC(=O)C1(B(O)O)CC1)C1CC1	2243363893	NXQFZIZPDAIALS-VIFPVBQESA-N	227.069	-0.729	50	10	BBGE	
CCNC(=O)c1ccc(OC)cc1B(O)O	2243376560	LUJVMSYMBILRIU-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
COCC[C@H](C)NC(=O)C1CC(B(O)O)C1	2243396367	LHBLATFXWMSDBB-UEJVZZJDSA-N	229.085	-0.219	50	10	BBGE	
C=CCNC(=O)c1cc(F)ccc1B(O)O	2243408994	YWXJNCUGBTUYTB-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNC(=O)C1(B(O)O)CC1	2243410514	CNWIDGZBIHWORQ-SFYZADRCSA-N	229.085	-0.483	50	10	BBGE	
CCOCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414502	BYIBZISBMQVBGA-DTORHVGOSA-N	229.085	-0.266	50	10	BBGE	
O=C(NCCc1ccno1)[C@@H]1C[C@@H]1B(O)O	2243427195	RQEROAWFDNVKRK-SFYZADRCSA-N	224.025	-0.804	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CCCCC(=O)NN	2245107881	YSKRLVRXOIMTJW-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2245115646	AXFGZEARHSPOCD-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@@H]2C1	2247734161	FVUPJUFUATZYSS-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)CCC[C@@]1(O)CNC(=O)C#CB(O)O	2247740753	OXEDLMMJUVHFAX-LLVKDONJSA-N	239.080	-0.941	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC(F)(F)C1	2247744701	WUOCXJZSMQHMPL-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1(F)CC1	2247748138	YLTXVVAJMPIZIM-LURJTMIESA-N	240.043	-0.685	50	10	BBGE	
NC[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247755603	IZVOFAQPMAZIDF-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
COC(OC)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786844	HJCKKDYXNBUHSF-PRJMDXOYSA-N	245.084	-0.637	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247786909	ILNIEBUJSTXMMX-UTINFBMNSA-N	241.096	-0.341	50	10	BBGE	
CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247798476	UMNGSUHNTCCBKZ-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2247801058	WLXWJPWOCNZJMH-JDDHQFAOSA-N	241.096	-0.079	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247809306	OVNMYICJPBNCEA-YUMQZZPRSA-N	235.052	-0.702	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)C[C@@H](CC)O1	2247848761	QASHWOVXEYNFGK-AOOOYVTPSA-N	239.080	-0.582	50	10	BBGE	
CN(C[C@H]1CCCC1(F)F)C(=O)C#CB(O)O	2247850392	OANWAZXKGGFNPE-MRVPVSSYSA-N	245.034	-0.104	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC=CC1	2247853660	PNITXTXGDMGFOF-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1c(F)cccc1B(O)O	2247874149	JRZAUNDMXDZUJE-HZGVNTEJSA-N	237.039	-0.356	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2247879835	WJZKZQJDSPZFFK-SSDOTTSWSA-N	242.084	-0.977	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCN1C	2247880018	ZYZMKBIEVKHCHI-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](C2CC2)[C@@H](O)C1	2247887150	KVEVQGPMWJARFW-IMSYWVGJSA-N	239.080	-0.921	50	10	BBGE	
N#CC1=CCN(C(=O)c2nc(CN)no2)CC1	2249307049	JJTLJEXVOMSBRL-UHFFFAOYSA-N	233.231	-0.176	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]2C=C[C@H]1C2	2249998041	COUHFGDOVVPKDP-DCAQKATOSA-N	233.076	-0.280	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250695178	IADKSYNJAWTGDV-LURLDICESA-N	238.096	-0.953	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2251041003	YEWUXASDFURURV-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
C#Cc1c(NC(=O)[C@H]2C[C@H](B(O)O)C2)cnn1C	2255678133	NWIDQORXDUMVMQ-ZKCHVHJHSA-N	247.063	-0.407	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1	2255681208	QTXYRDHTMXGLGX-IWDIQUIJSA-N	245.087	-0.328	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@@H]2CCC[C@@H]12	2255718937	GDIMKWJGXNOFCP-HTQZYQBOSA-N	249.075	-0.204	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1nccnc1B(O)O	2256068466	BETBVIUYMHOQPX-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2c(B(O)O)cccc21	2256599760	YITABRSWAHYDJX-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
OB(O)c1ccc(NC2CCCNCCC2)nc1	2256992459	WXHYWERSTYDPNZ-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@@H]3C2(C)C)c1B(O)O	2257070725	JSUBFXVKJOVAKN-BDAKNGLRSA-N	247.107	-0.300	50	10	BBGE	
C=CCN(CC)C(=O)c1ncc(B(O)O)cc1C	2257492960	ZYKLEXSCRDVGKB-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371494	MNCYMOBXHPGLTQ-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CCC2	2298376428	WFJVBCCXOVNEQZ-VGMNWLOBSA-N	238.096	-0.811	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377466	RTVNCXGCNUMPGM-ZPASOGBRSA-N	238.096	-0.909	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2NCC[C@@H]21	2298377652	YOGFKKXFVOXEJP-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
CNC(=O)C[C@H]1CCCN([C@@H](C)C(=O)NN)C1	2299680783	WLHJTSQNQMSVNL-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
N#Cc1ncn(CCC[C@H]2C[C@H]2C(=O)NN)n1	2300382661	IPBAUJDZUSEJPR-JGVFFNPUSA-N	234.263	-0.444	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CC(CO)CO	2302022278	ITJIQHNPYLHZTL-SECBINFHSA-N	247.339	-0.932	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](C(N)=O)C1	2302023778	QRZGCTUWNXNTJB-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
O=C([C@H]1[C@H]2COCC[C@H]21)N1CC[C@H](B(O)O)C1	2303108356	HBQADSLYOUTIAJ-QCLAVDOMSA-N	239.080	-0.656	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1C[C@H]1N	2317211263	JTBUGLYNVTWXCQ-BKDNQFJXSA-N	246.075	-0.647	50	10	BBGE	
COCC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2317348261	LGLMKDRXVLVUIL-UHFFFAOYSA-N	249.075	-0.739	50	10	BBGE	
Cc1cc(=O)n(CC(=O)NN)cc1[N+](=O)[O-]	86237904	ZQBUOUMRMXPSFD-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCCCS1	87682461	VPYSVFCKMWZVNJ-RXMQYKEDSA-N	203.267	-0.028	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](C)[C@@H](C)C(=O)NN	93072061	PAXRQWFKLITCNN-BDAKNGLRSA-N	244.339	-0.412	50	10	BBGE	
Cc1cc(=O)n(Cc2ccoc2C(=O)NN)cn1	110600313	YFPORGBDKDHKHW-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C(C)(C)CO	134188871	GZJWBEFBICFHAC-MRVPVSSYSA-N	217.313	-0.296	50	10	BBGE	
C=CC[C@H](NC(=O)NN(C)C)C(=O)O	149089283	KMQRAZQWNJBONV-LURJTMIESA-N	201.226	-0.209	50	10	BBGE	
O=C1CN(C(=O)CCBr)CCN1	168326043	QKPLJROYXZISFC-UHFFFAOYSA-N	235.081	-0.270	50	10	BBGE	
CC(=O)O[C@H]1NC(=O)[C@@H]1Br	196524861	YHBHGWQTEGXDTR-WVZVXSGGSA-N	208.011	-0.231	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1C(=O)NC	211781841	ZXRXWPADZRQSIW-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@@H](C#N)C1	226178562	SHMLKQKXNODTFR-YIZRAAEISA-N	226.280	-0.775	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCCCO	227147492	OBTZTYMAQDPRKF-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CNC(=O)C1	229239799	HFRCNCMXZQLLAJ-RFZPGFLSSA-N	233.655	-0.672	50	10	BBGE	
CC1C[C@@H]2C(=O)N([C@@H](C)C(=O)NN)C(=O)[C@H]2C1	229922099	GURDHQSCDIBYLF-FXQIFTODSA-N	239.275	-0.604	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)CCC(=O)NN)C1	234838068	BZDWPFOTPZUPRX-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@H]1CC[C@H](C(=O)NN)O1	251097046	LSIRKZPQCIDYOB-OPRDCNLKSA-N	240.307	-0.385	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1CCCO	251704915	XSPQEQXEFCOIGO-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	300046610	XRXCDEAWDMCCEC-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCCO	300815442	LWEYIHSVGWTAOQ-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
Cc1ccn(Cc2cccc(B(O)O)c2)c(=O)n1	300989650	ZWYWKPJPNIQJSP-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CN1CC(NS(=O)(=O)CCCCl)C1	379117418	MKZMMEKYTQJLML-UHFFFAOYSA-N	226.729	-0.151	50	10	BBGE	
CCN(C)NC(=O)CSCC(N)=O	379414616	OIHCEOSTLBSCBD-UHFFFAOYSA-N	205.283	-0.812	50	10	BBGE	
CCNC(=S)NNC(=O)c1cnn(C)c1N	381688729	ZGYBZRSAYCXTID-UHFFFAOYSA-N	242.308	-0.869	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSC[C@H]1CO	388146813	FMCMNLZOWOFVCH-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
C[C@@H](N)C(=O)OCCSS(=O)(=O)O	388209144	MMDDWJNHMMCHPT-SCSAIBSYSA-N	229.279	-0.587	50	10	BBGE	
C[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@H]1O	388380775	PIHQMOUGDNJASN-HLTSFMKQSA-N	229.324	-0.296	50	10	BBGE	
CCC(=O)NCCNS(=O)(=O)CCl	393081941	MTSHNKHNCKAISI-UHFFFAOYSA-N	228.701	-0.372	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(B(O)O)cc1O	396024877	SHZHLOXVGIWQDT-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
COC(=O)CCc1cccc(OC)c1B(O)O	396030106	GXTDZRYRNWYORM-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
Nc1csc2c(C(=O)O)c(B(O)O)ccc12	396252418	ZKSSXPZHDLLCMZ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCCC(=O)NCc1cc(B(O)O)cs1	404956881	YOPJXCUQKWELBE-UHFFFAOYSA-N	227.094	-0.156	50	10	BBGE	
OCc1cc(S)cc(F)c1B(O)O	575705707	LGZGHOYKSAWEFX-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CCN(CCCl)C(=O)c1nnn(C)n1	697199032	AVGLMHRKOMMDPI-UHFFFAOYSA-N	217.660	-0.089	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](C(F)(F)F)C1	698949413	IZJPTXCMWQSRFF-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
COC[C@@H](S[C@H]1CCOC1)C(=O)NN	703103908	DKYZLAFWTQDUAV-NKWVEPMBSA-N	220.294	-0.487	50	10	BBGE	
OB(O)c1cccc(OCCN2CC[C@@H]3C[C@@H]32)c1	707084419	FPUHRTXLGXXEGP-MFKMUULPSA-N	247.103	-0.161	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1ncccn1	707084972	FRKRKFLHKDMYHS-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@H](C)C1O	710896461	DSHBLRKWCBSOAZ-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2COC[C@H]2C1	718240509	GKQJAPZEGCFRDO-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CSC(=O)N1	746167762	YHLFYQLTQYJGKO-SCSAIBSYSA-N	232.265	-0.838	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccoc1	747184686	MLSYGLKDZWMDDD-ZCFIWIBFSA-N	239.231	-0.435	50	10	BBGE	
CC(C)[C@@H](O)CC(=O)NN(C)C[C@@H](C)O	821217649	NXOWHEBUTNGEBE-BDAKNGLRSA-N	218.297	-0.263	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCNC1=O	852084881	YYWSJGNYKMNJHT-LURJTMIESA-N	242.279	-0.749	50	10	BBGE	
CC1(C)OC(=O)c2cc(B(O)O)ccc21	958718579	RHAHBIMIAUWJGO-UHFFFAOYSA-N	206.006	-0.228	50	10	BBGE	
CCn1nccc1C(=O)NNC(=O)c1cn[nH]c1	1287253617	GOOVWRGZCXHIMC-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)/C=C\Cn1cncn1	1350801811	VZSDRCGCBKBSRQ-TYRPZCRBSA-N	239.279	-0.822	50	10	BBGE	
CNNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1880023336	KOYBDZAMRDHIBZ-RQJHMYQMSA-N	247.295	-0.489	50	10	BBGE	
NCCOCC(=O)NC[C@@H]1C[C@@H]1Cl	1883554951	WOYIUYKFHQFPSE-BQBZGAKWSA-N	206.673	-0.295	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@@H]1C[C@@H]1Cl	1883645138	MBZKICOEGHAMLO-RITPCOANSA-N	204.657	-0.182	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCC1(F)F	1886327640	IDNVPFRDKABINS-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
O=S(=O)(CCOCCCl)N1CCOC1	1889160159	XMFHZRCUTFPFQC-UHFFFAOYSA-N	243.712	-0.139	50	10	BBGE	
COC[C@H](C)CNC(=O)NNCCO	1889499846	HZGHLESDWQVRRA-SSDOTTSWSA-N	205.258	-0.935	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCCS1	1892920520	SGWYLIHYAJBJRY-SSDOTTSWSA-N	215.083	-0.434	50	10	BBGE	
C[C@@]1(O)CCN(S(=O)(=O)CCl)C[C@H]1O	1894992121	OACNPFGZMOMTIA-RNFRBKRXSA-N	243.712	-0.670	50	10	BBGE	
N#CCCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	1900622630	XDFAHIVVXSERKO-IUCAKERBSA-N	222.053	-0.389	50	10	BBGE	
C#CCN(C)c1ccc(B(O)O)cc1C#N	1901198738	CIYATEVAMGBZKY-UHFFFAOYSA-N	214.033	-0.693	50	10	BBGE	
CN(NC(=O)[C@H]1CCN1)S(=O)(=O)C1CCC1	1901341360	ULSMXAPMUBIZHO-MRVPVSSYSA-N	247.320	-0.806	50	10	BBGE	
CC[C@](C)(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901341647	YCXGDNBWDDOFGT-VIFPVBQESA-N	249.336	-0.431	50	10	BBGE	
CC[C@H]1C[C@@H]1CC(=O)NCCC#CB(O)O	1902767314	CNLSUVQFXNLIQB-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1CCCC(=O)NN	1903308261	UELONWOURLJYMO-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
CO[C@H](CN1CC[C@@H](B(O)O)C1)[C@@H]1CCOC1	1905582455	AGHVUEWNDPSKJC-GMTAPVOTSA-N	243.112	-0.413	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ncccc1B(O)O)C2	1907073001	TXFFXBSHNARCME-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907269628	RJMBUGAZFFLMMU-LNFKQOIKSA-N	241.335	-0.439	50	10	BBGE	
CC1(O)CC2(CN(C[C@@H]3C[C@H]3C(=O)NN)C2)C1	1908622395	DDHHSXXUIDRXKP-DTWKUNHWSA-N	239.319	-0.541	50	10	BBGE	
CC(C)(CN1CCO[C@@H]2COC[C@@H]21)C(=O)NN	1909685395	GXJXBIXYPBYVNM-DTWKUNHWSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1(O)CCC1	1914578291	FVPCGXIXLRKION-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)CCC(=O)O)CC1	1917055060	RZCVWKRZAVTFCT-VIFPVBQESA-N	237.259	-0.139	50	10	BBGE	
O=S(=O)(NCCCCl)C1COC1	1923230505	LYCVFHJMESSQIH-UHFFFAOYSA-N	213.686	-0.067	50	10	BBGE	
O=C(NCB(O)O)[C@@]12CCC[C@@H](C1)OC2	1925071423	WHOMOAJCPGSKKQ-CBAPKCEASA-N	213.042	-0.926	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)NN	1927824575	IMZLKCOVEDWJIK-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)C[C@H]1F	1928692786	TUJWOXUGGPWOPJ-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
O=C(Cn1cnnn1)N(CCCl)C1CC1	1928697409	ZEYHLROLJPNDRM-UHFFFAOYSA-N	229.671	-0.097	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]1CO	1929739871	BPZZRRFHSVENFN-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1[C@@H](Cn2cc(B(O)O)cn2)C1(F)F	1931659838	YQOMGUSHXAWPJU-IYSWYEEDSA-N	215.996	-0.536	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]1C(F)(F)F	1935126664	CFEOYOYSSOPSQW-RFZPGFLSSA-N	212.171	-0.202	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1936078647	BHIAOHDJCVOROS-UTINFBMNSA-N	227.308	-0.827	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CSC[C@@H]2C1	1936092525	UUKQPYYYVUAIGF-AATLWQCWSA-N	241.360	-0.093	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COCC[C@H]1Cl	1937145432	IKUPRQQWDTXZAY-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
CCn1nccc1CN(C)[C@H](C)C(=O)NN	1937931016	YORVERFHMSOPMT-MRVPVSSYSA-N	225.296	-0.287	50	10	BBGE	
CO[C@H]1CCC[C@@H](OCCOCC(=O)NN)C1	1941772185	FPFOYGGCFPRJCL-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2[C@@H](CO)[C@@H]2C1	1943070049	HMGJJNFOUYYRGG-URLYPYJESA-N	241.335	-0.293	50	10	BBGE	
CN1[C@H]2CC[C@@H]1C[C@H](N1CC(=O)OC(=O)C1)C2	1949279687	MSUSRQQLNDSPLH-MYJAWHEDSA-N	238.287	-0.003	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)C#N	1951361689	WNFICBUCMZRMKP-RNFRBKRXSA-N	216.237	-0.244	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCOCC(N)=O	1955560085	WRNSZZRDGXYUOI-ZCFIWIBFSA-N	222.672	-0.378	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1958212318	NBAODWBUCKRHSM-VGMNWLOBSA-N	212.297	-0.999	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]1C(F)(F)F	1958527155	LFHOJDZBWWMEKX-QWWZWVQMSA-N	225.170	-0.709	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)CC[C@@H]1O	1960160140	UJDSDRDKWDANFZ-UWVGGRQHSA-N	237.727	-0.083	50	10	BBGE	
Cc1cnc(CCN(C)CC(=O)NN)s1	1961282582	BYKXSHGDOAQUIK-UHFFFAOYSA-N	228.321	-0.084	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CC1(C)C	1961520272	NESQSLHBFNBCEV-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@@](=O)C[C@H]1C	1961553940	QWDPERMNIGTFGX-KDZIRCDLSA-N	233.337	-0.792	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(F)(CO)C1	1961737420	PIEXRNMMWVMCKP-ZETCQYMHSA-N	219.260	-0.839	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCNC1=O	1975102917	DDKIMMKXEUJHQP-UHFFFAOYSA-N	222.195	-0.973	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=N[C@H]2C[C@@H](O)C2)[nH]1	1976105411	GAMYQWCIHLYNFK-PBXRRBTRSA-N	243.698	-0.059	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]3C2)ncc1B(O)O	1981411714	NHLANVCBHOLTGA-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C[C@@H]1C	1981412568	WEYINQUKMNTXHW-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1ncc(B(O)O)cn1	1981414025	MZUPCNVIRLWDHT-APPZFPTMSA-N	221.069	-0.609	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1ncccc1B(O)O	1981425831	KVTLBZYEISVTFB-SCZZXKLOSA-N	220.081	-0.004	50	10	BBGE	
Cc1ncnc(-n2cc(Cl)cn2)c1B(O)O	1981465524	NNQRMAUZBWVVEJ-UHFFFAOYSA-N	238.443	-0.696	50	10	BBGE	
CN(C[C@](C)(F)C(C)(C)F)C(=O)C(=O)NN	1981656949	LJCWCHOJFKLMNJ-VIFPVBQESA-N	237.250	-0.089	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)COC2	1983766721	XTBBQELMAOQTQM-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1OCC[C@H]1F	1984336516	AEJYWQJMDWMPNF-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC=C[C@H]1CO	1985649063	RSCXEHDQVWDMOW-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=NC[C@@H]2C[C@@H]2Cl)[nH]1	1991448033	DPSNMSGWXRPASF-WDSKDSINSA-N	242.714	-0.189	50	10	BBGE	
CN(C)[C@H]1CCN(CCC(=O)NN)C2(CC2)C1	1997672124	VJLUCMRZJXOFAC-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CO[C@@H](CNC(=O)C(=O)NN)c1ccccc1	1997774575	WDPDRRHRFMSRIP-VIFPVBQESA-N	237.259	-0.520	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCC[C@H]2C1	2004919705	CDJMBSSQDAFWAQ-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
CCCOCCOc1nc(C)ncc1B(O)O	2004932748	YIBUFXSAGUDWQJ-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
Cc1cc(O[C@@H]2CO[C@@H](C)C2)ncc1B(O)O	2004935576	OTJQXVVKXYBXFV-IUCAKERBSA-N	237.064	-0.374	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1[C@H]2CCC[C@H]21	2008843647	CEMXCIMNABXUQG-MYJAWHEDSA-N	233.076	-0.426	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CCC(=O)NC1	2012015876	NSMCZAJQYJNALW-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012895347	HRGLEQNQIVCIHU-JGPRNRPPSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1CCC[C@H](C2(O)CC2)C1)C(=O)NN	2013933700	QZGJYFJZKLCMDD-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CCOC[C@H]1CCCN1CC(=O)NNC(C)=O	2019219653	PAHVUCQZAWGCKK-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC1CN(c2ccnc3cc(B(O)O)cnc23)C1	2052622628	XJFKIJDXKORRJW-UHFFFAOYSA-N	243.075	-0.234	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(B(O)O)c1OC	2060015691	HHTXMIPOOMIHOL-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
O=c1ccccn1Cc1cscc1B(O)O	2211135287	HJYFMRKKLPBUAO-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2CC1=O	2211286953	QNXBVDTVKSNHMX-UHFFFAOYSA-N	219.244	-0.439	50	10	BBGE	
OB(O)c1ccc(NCC2[C@H]3CC[C@H]23)nc1	2212610958	RYAWTGZAEBYXMT-IUCAKERBSA-N	218.065	-0.171	50	10	BBGE	
CC(C)CN(CCO)C[C@@H]1CC[C@@H]1C(=O)NN	2215778082	XEWVNLRGFXIOEJ-QWRGUYRKSA-N	243.351	-0.047	50	10	BBGE	
Cc1ncnc(O[C@H]2C[C@@H]3C[C@@H]3C2)c1B(O)O	2216578843	YQNVBRCRNANJIL-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
C[C@@H](Nc1nccc(B(O)O)c1F)C(C)(C)N	2217180204	RBGLCQSTADPEJF-ZCFIWIBFSA-N	241.075	-0.562	50	10	BBGE	
NC[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)C1	2217185467	XVIFXVXBMWPUNJ-KNVOCYPGSA-N	239.059	-0.950	50	10	BBGE	
CC(C)C[C@H](N)COc1cc(B(O)O)ccn1	2217193034	REMOMVJGMGSVHJ-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC=CCC2)nc1	2217193735	WWZXALLFKGAONY-SECBINFHSA-N	234.064	-0.109	50	10	BBGE	
C[C@]1(O)CC[C@H](Nc2ncccc2B(O)O)C1	2217194736	CGDIPQXYDRVNCW-KWQFWETISA-N	236.080	-0.523	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1cc(B(O)O)ccn1	2217199278	BLJXSCRLFIOLNX-RKDXNWHRSA-N	238.071	-0.197	50	10	BBGE	
C[C@H](O)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058464	LQCCGUUIUSAZFC-JQWIXIFHSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1N[C@H]2CC[C@H]1C2	2223623550	ABLIRUMNBWNNOJ-QXEWZRGKSA-N	248.091	-0.719	50	10	BBGE	
Cc1cnc(NC[C@]2(C)CCNC2)cc1B(O)O	2223641022	OWNXWYBJEXLJII-GFCCVEGCSA-N	249.123	-0.519	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@H]2CC(O)C3)nc1	2223643704	ZEZLHEOCEHLJHI-UWVGGRQHSA-N	248.091	-0.747	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)c1ncccc1B(O)O	2223671031	GRGJNHMCSLVEQB-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
O=C1CCN1S(=O)(=O)N1CC(Cl)C1	2241354356	WWSOBIOPRMWVGC-UHFFFAOYSA-N	224.669	-0.614	50	10	BBGE	
CN(CP(C)(C)=O)C(=O)C#CB(O)O	2241468230	JQLLJBPPNMZBNT-UHFFFAOYSA-N	216.970	-0.960	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)C1(B(O)O)CC1	2241482042	ZUQFFPHYBISLKG-NTSWFWBYSA-N	217.461	-0.263	50	10	BBGE	
Nc1[nH]nnc1C(=O)N[C@H]1C[C@H](Cl)C1	2241659374	KBVHJCJKFGWQET-JPYJGEKTSA-N	215.644	-0.114	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]1[C@@H](O)CO	2241826672	VHUBOVLEYQOPGL-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
COCCN(CCF)C(=O)C1(B(O)O)CC1	2243359291	QGEKKPORAJLHOG-UHFFFAOYSA-N	233.048	-0.562	50	10	BBGE	
O=C(NC[C@H]1C=CCN1)C1(B(O)O)CCC1	2243363975	PJIWAVVQGFPUIR-MRVPVSSYSA-N	224.069	-0.972	50	10	BBGE	
CC(C)(C)ONC(=O)c1sccc1B(O)O	2243375595	VYXGTYSUAKOBPN-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NOC(C)C	2243378234	PDGPCYWEYARPEO-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
Cc1cc(C(=O)N2CC(F)C2)c(B(O)O)s1	2243378528	VCAFJNONXVZIRW-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)[C@H]2C[C@@H]2B(O)O)c1C	2243390733	AJXRXTYTNHRKEQ-BQBZGAKWSA-N	223.041	-0.750	50	10	BBGE	
Cc1ncncc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243392750	WSZYARARRWIOHI-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
C[C@@H](COC(F)F)NC(=O)[C@H]1C[C@@H]1B(O)O	2243395697	AUSKTWBOWUYCIZ-ZLUOBGJFSA-N	237.011	-0.407	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccncc1	2243401215	OAAFVIJBMRYVFU-QMMMGPOBSA-N	218.021	-0.726	50	10	BBGE	
C[C@H]1NCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243403824	DIRQYKVZSCCBQM-FNCVBFRFSA-N	226.085	-0.894	50	10	BBGE	
Cc1csc(C(=O)NC[C@H](C)F)c1B(O)O	2243414953	LJJSGAUODVNOGS-LURJTMIESA-N	245.084	-0.176	50	10	BBGE	
C=C(CS(=O)(=O)N1CC2CC1(C)C2)B(O)O	2243433014	HEXYGOXWPWKMME-UHFFFAOYSA-N	245.109	-0.631	50	10	BBGE	
C#CCCOCC1(C(=O)NN)CCOCC1	2243935341	CRBSXIBHQAJUGA-UHFFFAOYSA-N	226.276	-0.187	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1cocc1B(O)O	2244206412	WLNUQCBIKVFRHB-LURJTMIESA-N	230.963	-0.903	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)co1	2244213914	LGMWVASSTWDBJG-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
CCOC[C@H]1CCCCN1C(=O)C#CB(O)O	2247742979	XARUPPSVQJSDPQ-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1ccoc1B(O)O	2247743014	XRHOVBHITDZQEF-CPCISQLKSA-N	235.048	-0.368	50	10	BBGE	
Cc1cccc([C@@H](C)NC(=O)C#CB(O)O)n1	2247746669	BVBHGDZTZYWFSD-SECBINFHSA-N	232.048	-0.417	50	10	BBGE	
O=C(N1CCO[C@H](C2CC2)C1)C1(B(O)O)CC1	2247750370	IMGUFDMYLHWSRD-VIFPVBQESA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)cn2C)[C@H]1C	2247757525	KBDJXYWGOGPIBN-YUMQZZPRSA-N	236.080	-0.815	50	10	BBGE	
COCCOCCCNC(=O)C1(B(O)O)CC1	2247758840	XWIUKWSVUCCARV-UHFFFAOYSA-N	245.084	-0.837	50	10	BBGE	
CC(C)CN(C)C(=O)c1cc(B(O)O)cn1C	2247765503	ZQPWFRMONOCVTJ-UHFFFAOYSA-N	238.096	-0.567	50	10	BBGE	
O=C(NCc1cccnn1)[C@H]1C[C@@H](B(O)O)C1	2247785994	UFZBRDANZHYEAD-OCAPTIKFSA-N	235.052	-0.654	50	10	BBGE	
CNCCCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786273	YLDLJWVGXHORFI-AOOOYVTPSA-N	242.128	-0.303	50	10	BBGE	
CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247797235	HKWHURWCCKARBR-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CCOC1CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797555	KUHDUMPMNJPRFF-QLEHZGMVSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]1c1ncon1	2247799370	CKLPMGIEJSCEBZ-QYNIQEEDSA-N	237.024	-0.794	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1COC2CC1C2	2247809066	NKZCQYFARPRMFD-PGQYJIMISA-N	239.080	-0.515	50	10	BBGE	
Cc1noc(C)c1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247809454	ZLVLDYOPBPIYHR-VXNVDRBHSA-N	238.052	-0.229	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247809670	QLBBORGFIHGSFO-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@@H]1C[C@H]1B(O)O	2247810458	XOBNQWXVVZDGEY-FNDAOGFPSA-N	233.076	-0.524	50	10	BBGE	
CC1(C)CCN(C(=O)c2ccc(B(O)O)o2)C1	2247846263	CRSRSJCLSVTSGC-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CC[C@H](C)CCNC(=O)c1cc(B(O)O)c[nH]1	2247848072	GOVWHCGZOGPJNN-QMMMGPOBSA-N	238.096	-0.140	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C2CCC1CC2	2247868843	IPXUOPBESISAHJ-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
N[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C12CCC2	2247872734	XVORESOUNPRTJB-SFYZADRCSA-N	238.096	-0.621	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCC(F)F	2247874656	OFBGWIJYLOLLIC-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
CC#CCNC(=O)c1c(C)cccc1B(O)O	2247875214	UOSMAGQZFBRGOZ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CC1(C)CN[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877487	BGSPUHYBTPDIAR-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@H]2C[C@H]2C)oc1B(O)O	2247891124	VJRZLSMGLWFFSZ-SVRRBLITSA-N	237.064	-0.252	50	10	BBGE	
COC(CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1)OC	2247895415	SCFRHEVOTBMRJZ-OCAPTIKFSA-N	245.084	-0.683	50	10	BBGE	
CN1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C(C)(C)C1	2247895919	VYEXXKGYOCKCDZ-HLTSFMKQSA-N	240.112	-0.694	50	10	BBGE	
COCC1(N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247897484	SYKJHBDAWALECZ-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247908996	CYAGMYBYEUJIHY-SQXHDICFSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CN1	2247911099	SUKGTXFQRJDZKR-LGUIWLBCSA-N	240.112	-0.552	50	10	BBGE	
O=C(O)[C@H](F)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2248577041	IHXQPGMQPRXWAW-FSDSQADBSA-N	247.031	-0.832	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]1C1CC1	2249410980	PIWOMUAROBZCGG-SECBINFHSA-N	235.048	-0.416	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2cncc2C1	2249739581	VGIGATRZMLVNKE-SECBINFHSA-N	237.307	-0.143	50	10	BBGE	
Nc1cc(F)ccc1C(=O)NCC=CB(O)O	2249925532	YSSJERDZDSSTNU-UHFFFAOYSA-N	238.027	-0.294	50	10	BBGE	
C#CC1(CNC(=O)c2ccoc2B(O)O)CCC1	2255465333	JFQGTCLQWZYDAI-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2C3CCC(CC3)[C@H]2C1	2255472323	FCWJFGYTMIHCHB-CAODYFQJSA-N	247.103	-0.104	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ncncc1B(O)O	2255521085	RQVXUBVABQBHIK-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC2(CCCC2)C1	2255549138	FNANWFCMZGEPKI-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H](C)C2CC2)c(B(O)O)c1	2255556438	PEHQQLYEBFJRSF-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H]1B(O)O	2255567997	HYMDPSUKDLEKQO-VWYCJHECSA-N	249.075	-0.301	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(n2cccn2)CC1	2255674435	MQURZUZINZLFSJ-UHFFFAOYSA-N	247.063	-0.938	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255675072	VDMHYHGQWKYMEO-QPUJVOFHSA-N	248.091	-0.386	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)c(C)c1	2255736764	SPRDPIIDEXASMV-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255921496	NXTCAVGQQCUEKN-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cc1O	2255956909	ISMMFDXNQZCBDW-VROVMSAKSA-N	247.059	-0.790	50	10	BBGE	
O=c1c(F)cccn1Cc1cccc(B(O)O)c1	2257399131	DRVUJKYNWXBAPM-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCS(=O)(=O)N(C)[C@@H](C)CC(=O)NN	2297013900	NPRLNXDFEGGPRM-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369669	BDQUTSZOXVLRAN-AXTSPUMRSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@@H]1C1CC1	2298370065	NHLFYUUSZKMZPA-KYXWUPHJSA-N	239.080	-0.779	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370814	NJBGGXHVCFBDQL-VCMDJLOCSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1CO[C@@H](C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2298376555	CARWGDFBGHYLKT-ZYUZMQFOSA-N	239.080	-0.467	50	10	BBGE	
C=C(CN1CCc2nc(C)cn2CC1)B(O)O	2300654165	OMSSBZLYYMTOIP-UHFFFAOYSA-N	235.096	-0.382	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC(=O)NCC2CC2)C1	2303134248	PCQXRJOBIFFODA-NSHDSACASA-N	240.112	-0.549	50	10	BBGE	
CCCN(CCN)c1cc(B(O)O)c(F)cn1	2303834629	JEUNEIHGTBZXOT-UHFFFAOYSA-N	241.075	-0.924	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C=C[C@@H]1C2	2312857318	KKWONFAMBMULPJ-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
C[C@@H](O)C1CN(c2ccc(B(O)O)cc2C#N)C1	2317163611	YKAGMJSWVPIZGY-MRVPVSSYSA-N	246.075	-0.945	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(B(O)O)cc1C#N	2317200371	KVZKFZOXCWBLOC-SECBINFHSA-N	248.091	-0.433	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1B(O)O	2317460363	MBTBMGAUEWPROS-CBAPKCEASA-N	249.075	-0.031	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cccnc2N)C1	2319673000	XRPLQCLJELKCKC-NSHDSACASA-N	249.079	-0.257	50	10	BBGE	
NC(=O)N/N=C(\C=N\NC(N)=O)c1ccccc1	5680192	DUWNSOKPRGFCFS-HKAZRAOBSA-N	248.246	-0.287	50	10	BBGE	
C[C@H]1CCCN(C(=O)COCC(=O)NN)C1	58849280	RVLUGGHHLXVVIF-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CC[C@@H]1COCCN1CCC(=O)NN	82468001	ULTRJIICZPFKQU-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CN(C)Cc1cnn(C)c1)C(=O)NN	82470449	KBSSCZGDAWGJBR-MRVPVSSYSA-N	225.296	-0.522	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1[C@@H](C)C(=O)NN	82470492	IGFZARUNBVSLSG-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1C(=O)NCCN1C(=O)CCCl	82475715	HGLGEBSMHNTIPN-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CCN(Cc1ccccn1)C(=O)C(=O)NN	87332475	MFHVSIBPTWMXJB-UHFFFAOYSA-N	222.248	-0.580	50	10	BBGE	
CC(C)CNC(=O)CN(C)CCC(=O)NN	127550479	SIEZASGGTWZXQP-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
N=C(N)NNC(=O)c1ccc(Cl)nc1	143219671	BPASWWFKBCBWFJ-UHFFFAOYSA-N	213.628	-0.137	50	10	BBGE	
CC[C@@H](N)c1nnc(-c2ccc(B(O)O)cc2)o1	211477831	VWCQYXSWDBXSCF-SECBINFHSA-N	247.063	-0.174	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)CCCCl	227260580	NKRCOCUEEUPXAE-ZCFIWIBFSA-N	223.656	-0.345	50	10	BBGE	
CCC(CC)N(CCO)[C@@H](COC)C(=O)NN	232419934	QFWMKIPIIJJMHB-JTQLQIEISA-N	247.339	-0.526	50	10	BBGE	
Cc1cnn(-c2cc(B(O)O)ccn2)c1	238494801	YUZQPUFYLYWWTI-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=CNCC[C@H](Br)C(=O)O	238631680	HGUYKVORQSJQPM-BYPYZUCNSA-N	210.027	-0.029	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)CC[C@@H]1O	253200796	UHPCRHYHKWWFRZ-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)CSC	300000172	ZAVVPPBKKZMRAP-SFYZADRCSA-N	235.353	-0.325	50	10	BBGE	
CC[C@H]1CN([C@H](COC)C(=O)NN)CCN1C	300021877	XMUPUOCBFDAPPH-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
N[C@@H](CC(=O)O)C(=O)NCC(Cl)Cl	308140523	KWPVTXVQLBJRGV-VKHMYHEASA-N	229.063	-0.292	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccc(=O)cc1	314711443	YUNZPWDUKCWROZ-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
Nc1c(F)cc(B(O)O)cc1OC(F)(F)F	321674952	MHPZUJJXZAWEBP-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Cc1cc(B(O)O)ccc1[C@@H](CO)CF	379814772	PXXKJJGMUBKSGK-MRVPVSSYSA-N	212.029	-0.280	50	10	BBGE	
CC(C)(CN1CC[C@](C)(CN)C1)C(=O)NN	380801337	HMLOQJRDIXLFRF-LLVKDONJSA-N	228.340	-0.327	50	10	BBGE	
CCS[C@H]1CCN(C(=O)C(=O)NN)C1	382930179	KELVKKXOQNLNAX-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@H](C)O[C@H]1C	384971704	TVVFOXPCJMLPHN-AXTSPUMRSA-N	245.323	-0.511	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](O)CC1	393187046	PYZKPHCGPDMVGM-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(N2CCCC2)CC1	395220683	QBKGDZYNZZQUIM-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N(CCO)C1CC1	395813836	MSGGHUCUKRZSAG-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@H]1CCCOC1	401408737	PVCUZPFTTOAZEI-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703422844	TYAGKKSITKYHAF-CSMHCCOUSA-N	213.233	-0.469	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1ccnc(B(O)O)c1	704344661	YDEKCVZLKZSHLR-HQJQHLMTSA-N	234.064	-0.254	50	10	BBGE	
CN(N)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	704676740	UIGYZHVTHVCLCO-MUWHJKNJSA-N	229.305	-0.228	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCC12CC2	706206277	QOSYFTQKPCYCGN-SSDOTTSWSA-N	211.265	-0.327	50	10	BBGE	
CN(c1nnnn1C)[C@H]1COC[C@@H]1Cl	709195661	SMQRGUPABHCICC-WDSKDSINSA-N	217.660	-0.348	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2COCC[C@@H]2Cl)n1	710951201	IWMOORIYQMHCKQ-NTSWFWBYSA-N	245.670	-0.664	50	10	BBGE	
C[C@]1(C(F)(F)F)CN(CC(=O)NN)CCO1	712834110	PSWXQBPYXGHEJZ-SSDOTTSWSA-N	241.213	-0.371	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287144	RVYHZOFACAGMTK-CIUDSAMLSA-N	213.281	-0.526	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@H]1CCCN2C	720446541	PBTVSJLRLSCPSJ-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
CC1(O)CN(C2=C(C#N)[C@H](N)[N]S2)C1	725587929	JOHRGCRZEYFQKE-ZCFIWIBFSA-N	211.270	-0.661	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)[C@@H](C)O1	867672016	AAYCGACHBAUCOC-PRJMDXOYSA-N	244.291	-0.282	50	10	BBGE	
COCCCC(=O)NNC(=O)c1ccnnc1	1142447436	ROFRDOVANBPTCM-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cccnn2)c1	1153523978	OLGWLPKJUTUGAO-UHFFFAOYSA-N	245.242	-0.110	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@]12CCOC2	1161432190	YAKBCZXPKMVPJN-RCOVLWMOSA-N	223.236	-0.326	50	10	BBGE	
O=C(NNC(=O)c1cncs1)c1cn[nH]c1	1287253989	OYSJTRUSTHZVIZ-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)CCOC	1297759805	GOZKEAITUSLLOA-VIFPVBQESA-N	215.297	-0.310	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H](N)CCC(N)=O	1866101609	RHDGRAVNXCZKCP-WDSKDSINSA-N	221.688	-0.677	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NN	1879973465	KBZQXCRWXUZTMG-LURJTMIESA-N	233.268	-0.891	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NN	1879978705	LYDSTSCPYKYMQD-LURJTMIESA-N	233.268	-0.748	50	10	BBGE	
C[C@H](CCl)C(=O)NCCC(CO)CO	1886269006	YAZAVSCMPBYJPQ-SSDOTTSWSA-N	223.700	-0.032	50	10	BBGE	
CN(NC(=O)C(F)(F)F)S(C)(=O)=O	1888561448	DAPGLSLTVVUUAF-UHFFFAOYSA-N	220.172	-0.529	50	10	BBGE	
NC1CC(O)(C(=O)NC[C@@H]2C[C@H]2Cl)C1	1893109268	YAEWAACDLBCETB-MWHLNWJDSA-N	218.684	-0.418	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@](O)(CO)C1	1893445525	CTCQIVVLJUMQKI-FJXKBIBVSA-N	219.668	-0.431	50	10	BBGE	
O=C(N[C@H]1CONC1=O)C1CC(Cl)C1	1893491513	WIMVCXIKHODNSK-WRVKLSGPSA-N	218.640	-0.450	50	10	BBGE	
CN1CC(CNC(=O)/C=C/C(=O)Cl)C1	1893498059	OSWQVFLEXWMAIN-NSCUHMNNSA-N	216.668	-0.014	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN(C)C1=O	1893839979	TVDWEJVXEHDWNG-SSDOTTSWSA-N	214.269	-0.488	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN)C[C@H]1OC	1897229163	ABVXKWYXVRITLH-NKWVEPMBSA-N	203.242	-0.695	50	10	BBGE	
Cc1nn(C[C@]2(F)C[C@H]2C)c(C)c1B(O)O	1898065985	DULFBAJEBLUQON-LHLIQPBNSA-N	226.060	-0.072	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN([C@@H](C)C(=O)NN)C2	1899569008	KKLRMITXSCDNEF-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CC12CC(C1)[C@H](N1CC(=O)OC(=O)C1)CO2	1900577775	OBLUBSBATSZOKI-JKDSDDBFSA-N	225.244	-0.061	50	10	BBGE	
CON1CCN(CC(B(O)O)=C(C)C)CC1	1901702915	SMKUYRDUZXRUNI-UHFFFAOYSA-N	228.101	-0.486	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C[C@H]1CCO1	1901984348	UIEGMFXUTSFMCF-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](N)CC(N)=O	1901998333	WELVARSXEBEMTE-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
C=C1CON(c2cc(B(O)O)c(F)cn2)C1	1903006175	PSQBLOHQRIBIIL-UHFFFAOYSA-N	224.000	-0.792	50	10	BBGE	
C[C@@]1(CNS(=O)(=O)CCCl)CC(=O)N1	1905639231	WQRBLEQLGDFXBB-ZETCQYMHSA-N	240.712	-0.577	50	10	BBGE	
COc1cc(C)ncc1C(=O)NNC(N)=S	1927179569	ULDZVIIGVRPPHK-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C(F)(F)C1	1931821345	FRDPVGHWMVVVKN-PHDIDXHHSA-N	223.223	-0.933	50	10	BBGE	
NNC(=O)C(=O)N1CC(CC(F)(F)F)C1	1932115272	AFHHRYGSCSRWPK-UHFFFAOYSA-N	225.170	-0.613	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@H](Cl)CCO1	1933453105	FWWRICNKZLZIIK-RQJHMYQMSA-N	231.687	-0.170	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)CC12CCC2	1934431355	SRDLLUKSQBCNRZ-QMMMGPOBSA-N	213.281	-0.644	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCCO2)CC1	1936537816	VDFMCQUJMJDPJO-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
NNC(=O)C1(CN2CC(OC(F)F)C2)CC1	1938246408	IEKCWAJFQLTHCM-UHFFFAOYSA-N	235.234	-0.320	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1941072902	KOBIZCPJQDXCSZ-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCN(C)C1	1941086748	KFNKCIMPRUGFDK-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1941089399	VOGIUHGFNAVMFG-DTWKUNHWSA-N	242.323	-0.931	50	10	BBGE	
COCC1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941089410	VOYHQNZABKIRJH-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)CCCCCN1CC2(CC(O)C2)C1	1942500274	VPYCAFKMMAHRHT-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
Cc1nn(CCN(C)C(C)C)c(C)c1B(O)O	1943947151	DRVZUOIBTFHWPJ-UHFFFAOYSA-N	239.128	-0.480	50	10	BBGE	
CCCNC(=O)CN(C)CC1(C(=O)NN)CC1	1945883939	IRCCEVXQCDAIGX-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1	1945891624	HPGBMWQKAJDQSJ-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
CN(CC(=O)NN)C1(CO)CC(C)(C)C1	1960063560	RUBNWUDPEYVTLM-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1cncnc1Sc1nncs1	1961724942	VVXRHARAHOXQFG-UHFFFAOYSA-N	240.078	-0.841	50	10	BBGE	
CCN1CCC[C@@H](N(C)CCC(=O)NN)C1	1976090752	UINOMYSUBRNYAW-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
COC[C@@H](C)Oc1ncc(B(O)O)cc1Cl	1981421061	UNSYTGCFESDSLR-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
CC[C@@H]1COCCN1c1nc(B(O)O)cs1	1981470489	BIXUGHPFTFMYMD-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
CO[C@H]1CCN(c2nc(B(O)O)cs2)[C@H]1C	1981473435	YVNHMUHDPKVWOA-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1989120348	YGMASWYOSGRPNR-BDAKNGLRSA-N	229.324	-0.154	50	10	BBGE	
C=C[C@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	1990538197	BUMJZUCTTVBZPD-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1(F)CC1	1994970702	KZTOYXFSUSZJMB-UHFFFAOYSA-N	223.012	-0.193	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)c1ccccn1	1995499209	ZPNWYZYORPWAEE-UHFFFAOYSA-N	222.248	-0.577	50	10	BBGE	
CC(C)(C)OC[C@@H]1CCN(C(=O)C(=O)NN)C1	1996906837	LRNOYNFAPWJYCB-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@@H](C)[C@@H](C)C(=O)NN	1997350890	IWKNXLHOAOIRRA-QEYWKRMJSA-N	247.339	-0.936	50	10	BBGE	
Cc1nnc2ccc(C(=O)NNC(N)=O)cn12	1997418690	WARHEOIJYWLFSO-UHFFFAOYSA-N	234.219	-0.649	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CO)CCCC1	2003849391	BJGORIIHTGRCMJ-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
C[C@@H]1CC[C@H]([C@@H](NC(=O)NN(C)C)C(=O)O)O1	2004879724	CLTMNVVOBCYWGQ-BWZBUEFSSA-N	245.279	-0.217	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	2004939087	JYYULVSTWRBLCD-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
CN(C)CCOCc1c(C(=O)NN)cnn1C	2007004841	UHRKNJWUHFCODH-UHFFFAOYSA-N	241.295	-0.898	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012017951	WDWPWNPQZAGGGM-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CCCN2C)C1	2013603026	WACWAEZRRFNSOM-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1OCC[C@@H]1C	2019208263	FTGQMVJIYDKALP-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
CC1(COc2cc(B(O)O)ccc2F)COC1	2021346324	SKOLOFDVAUIPEG-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
OB(O)c1cccc(CN2CCOC3(CC3)C2)c1	2049341374	IPEZMIIHECOILL-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](N2CCC2)C1	2052505418	DLVRNCSOZOPTNZ-SNVBAGLBSA-N	247.107	-0.954	50	10	BBGE	
CCCOc1c(B(O)O)cnn1CC1CC1	2059990541	BINNZXKYJRVZEZ-UHFFFAOYSA-N	224.069	-0.238	50	10	BBGE	
CCOc1c(B(O)O)ccc(OC)c1C=O	2060132850	NVEBCDQFSKDDTJ-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1cc(OC)c(B(O)O)c([N+](=O)[O-])c1	2060323890	KSNPJQRHWJRLCF-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccccc1CC(=O)NN	2062246891	SYKFIZZNUAADAJ-CABZTGNLSA-N	249.314	-0.216	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1C[C@@H]2CC[C@H]2C1	2068702254	IAPUOYDDAIOXCX-QWRGUYRKSA-N	247.103	-0.036	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41	2086993510	GKEQUIRPQIFPBB-ZQSWAVFESA-N	243.071	-0.350	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@@H]2CC[C@H]21	2211141890	YUDYVUMAAMJVTK-OIBJUYFYSA-N	238.121	-0.193	50	10	BBGE	
C[C@H](CCO)N(C)CC1(C(=O)NN)CCC1	2212264835	CZVOZAYNCYGYGU-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CC1(C(=O)NN)CCCC1	2212447676	DQWZKJVWUDATKK-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1ccc(NCc2ccon2)nc1	2212602042	XSBULRIJGNJHEA-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CNCC[C@@H](C)Oc1cc(B(O)O)ccn1	2212611849	FFXZGAUFAXFXTQ-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@H]1CC[C@H]1C(=O)NN	2215776104	KXAOUOMRNHHTPH-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CC1(C(=O)NN)CCCC1	2216883923	PDFVGQVPVWIZSF-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(O[C@@H]2COC[C@H]2C)cc1B(O)O	2217171931	HASIUOFYIDXKAQ-PSASIEDQSA-N	237.064	-0.516	50	10	BBGE	
COC[C@H](C)[C@H](C)Nc1ncccc1B(O)O	2217175260	GPWYIAUJUXLURD-IUCAKERBSA-N	238.096	-0.156	50	10	BBGE	
CO[C@H]1C=C[C@@H](Nc2ncccc2B(O)O)C1	2217175915	PCVQXHAZIRLNSJ-BDAKNGLRSA-N	234.064	-0.483	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Nc1cc(B(O)O)ccn1	2217178444	WEBJINZJIBGKRC-UWVGGRQHSA-N	235.096	-0.686	50	10	BBGE	
C[C@H]1CCNC[C@H]1Nc1ccc(B(O)O)cn1	2217182701	GKGDYCWTZAITRS-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
CC(C)(C)[C@H](CN)Oc1ccc(B(O)O)cn1	2217188532	PMPKCPCIYURZGM-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
CC(C)(C)C#CCN=c1cc(B(O)O)cc[nH]1	2217203837	AXRBKGIDARIXCH-UHFFFAOYSA-N	232.092	-0.355	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(Cc2cccc(B(O)O)c2)C1	2220064045	VPQQYLJYVWGWJF-ZWNOBZJWSA-N	249.119	-0.431	50	10	BBGE	
Cc1n[nH]c(C)c1CNc1ncccc1B(O)O	2223631923	CNRMZFTUOZTBOI-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
CC(C)CN(CCC#N)c1ncc(B(O)O)cn1	2223633586	YLILNCXFPASHHM-UHFFFAOYSA-N	248.095	-0.468	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC12CCNCC2	2223635161	TVIATGKWJDWFOK-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
C[C@H](C#N)CN(c1ncc(B(O)O)cn1)C1CC1	2223638156	VBEXTHRLOHXMIG-MRVPVSSYSA-N	246.079	-0.715	50	10	BBGE	
CC(C)N1CC[C@H](Nc2ncccc2B(O)O)C1	2223639356	QZBUKRBSEVJRBS-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(B(O)O)ccn1)C2	2223639673	GHQTVNIGTFLACU-LSJOCFKGSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCNC12CC2	2223640383	WCPVVLOGKIRJIG-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
O=C(NCc1ccccc1)c1ccoc1B(O)O	2241468186	IQOAYNSNLBRGOB-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1coc(B(O)O)c1	2243347168	INEQEHFKRGXBBS-MRVPVSSYSA-N	221.021	-0.592	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ncsc1B(O)O	2243359680	WFJJYCZSNSUAQH-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1ccsc1B(O)O	2243359710	WRXHLLGYITUSLT-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
O=C(Nc1cnoc1)c1csc(B(O)O)c1	2243362253	OHULDKRPBVLKQJ-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CC1(CCNC(=O)C2(B(O)O)CC2)CNC1	2243364003	PPMUGONLGPXJLF-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
CCN(O)C(=O)c1ccc(Cl)cc1B(O)O	2243367027	MJMPXULCFVIQDE-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1sccc1B(O)O	2243377098	USWDHOYIHVXNQQ-PHDIDXHHSA-N	237.089	-0.434	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)C1CC(B(O)O)C1	2243413203	BFQUUGKNTGYRDI-KKMMWDRVSA-N	225.053	-0.223	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCSCC1	2244217924	UMWZHSNNVDUVPH-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCCC1(F)F	2247748199	ZHIFRROKVWZNHX-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
NCC1(CNC(=O)C2(B(O)O)CC2)CCCC1	2247749869	ASJQCVMLVAGFBR-UHFFFAOYSA-N	240.112	-0.371	50	10	BBGE	
N[C@@]12CC[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2247754914	NULWYICKUSCXIM-GZMMTYOYSA-N	238.096	-0.667	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@H]21)C1(B(O)O)CC1	2247755460	JZUYEKYJZVPZBP-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C(N1C[C@H]2[C@@H](O)CC[C@H]2C1)C1(B(O)O)CC1	2247755652	KLLPHPGEBRXMEW-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
O=C(NCCc1ccccn1)C1(B(O)O)CC1	2247758457	ZHXJQMTUTFNRQU-UHFFFAOYSA-N	234.064	-0.253	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cccc(F)c1B(O)O	2247758520	LQMPUYWAFHMLLI-IMTBSYHQSA-N	237.039	-0.356	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247775714	OZNWLVAAKJKBDM-XCBNKYQSSA-N	234.064	-0.710	50	10	BBGE	
O=C(NCCN1CCCC1)[C@H]1C[C@@H](B(O)O)C1	2247786661	DWYBPJTVXGJFLG-AOOOYVTPSA-N	240.112	-0.549	50	10	BBGE	
C#CCC[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787716	SRWWBPPGRZYEQN-AEJSXWLSSA-N	239.080	-0.870	50	10	BBGE	
O=C(Nc1ccccn1)c1csnc1B(O)O	2247788180	ALUUSUQDCJATHE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)C[C@](C)(CN)NC(=O)[C@H]1C[C@@H]1B(O)O	2247798465	ULZWLMAIASOLSN-ATZCPNFKSA-N	242.128	-0.271	50	10	BBGE	
O=C(NC[C@@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2247804162	FLVMFYYMUHRCHP-ZJDVBMNYSA-N	239.080	-0.610	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247848947	SMPGNGRCJLAOME-UHFFFAOYSA-N	236.080	-0.364	50	10	BBGE	
CC(C)(C)[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2247860271	UOBVHTGPLVKTRW-HACHORDNSA-N	243.112	-0.237	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2C[C@@]2(O)C1	2247904862	RAQMYCJKGQCQFZ-FOLWWEGKSA-N	239.080	-0.777	50	10	BBGE	
CC1CN(C(=O)c2cc(B(O)O)ccc2O)C1	2248032356	LOOTUQQKFYDSNG-UHFFFAOYSA-N	235.048	-0.836	50	10	BBGE	
C#CCCOCC(=O)N[C@@H]1CCC=C1B(O)O	2248441657	NABLKBGIZFRDOE-SNVBAGLBSA-N	237.064	-0.757	50	10	BBGE	
O=C(O)CN(CC1CC1)C(=O)C1(B(O)O)CC1	2248573309	CEYPKVVLJBOVCQ-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
O=C(O)C[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2248588263	ATIMVSIDYOREIO-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
C[C@H](CF)N(C)CC12CC(C(=O)NN)(CO1)C2	2249274705	NXOZBQXKJMYLIG-MFAVDMRSSA-N	245.298	-0.185	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@H]1F	2249419456	HLFRBNDOONPRBA-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCn2cncc2C1	2249735522	CDRUCOXKHXCVLC-IUCAKERBSA-N	235.052	-0.912	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCCC#CB(O)O)[C@@H](C)O1	2249999422	VPKBYAIEFRUZSI-OPRDCNLKSA-N	239.080	-0.678	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1c1ncccc1B(O)O	2251025761	GGALHOXADMNRNC-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1[C@@H]2COC[C@@H]12	2254022500	YVKRBRRPOMAEPE-NXEZZACHSA-N	249.075	-0.659	50	10	BBGE	
C#CC1(CNC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255463886	ODDBZSKBJRLTNA-UHFFFAOYSA-N	246.075	-0.772	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)cn1CC	2255498138	NMSQNOCUDHADEP-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
CC(C)(N)c1ccc(NC(=O)C#CB(O)O)cc1	2255672195	CGPDYECBSOEIMO-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)c(C)c1	2255692044	JOCISSCXVRBZDV-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1[C@H]2CCC[C@H]1C2	2255709972	DUPDUVOHGXHUIC-IUCAKERBSA-N	246.075	-0.472	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(n2cccn2)C1	2255788050	JBAQRDXTYNFFEV-UHFFFAOYSA-N	249.079	-0.481	50	10	BBGE	
Cc1nc(NC(=O)c2cocc2B(O)O)[nH]c1C	2258150268	ZKHPTSQKIJOVGU-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]21	2298165691	SESYBWLCVNDDDK-SSRBZLIGSA-N	239.319	-0.542	50	10	BBGE	
CCOC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376505	ZELGYINIYPXQIV-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
CC(C)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298376642	GZNQSOSXLZWECG-SGIHWFKDSA-N	241.096	-0.221	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)C(=O)[C@@H]1C[C@@H]1B(O)O	2298377128	GAMURDBJRKJEMF-GRDBIXFFSA-N	239.080	-0.657	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@H]1B(O)O	2298377487	SJMDQJHFLPVMBY-HMELBQQSSA-N	239.080	-0.875	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298554891	CPBRKKIUFNEFIB-CIQUZCHMSA-N	239.080	-0.467	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1CC1(C(=O)NN)CC1	2299981222	OOBCQNYRULNIIP-GXSJLCMTSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1(O)CC1	2301914500	DXMAGZZVCGXECH-UHFFFAOYSA-N	235.092	-0.677	50	10	BBGE	
Cc1ccnc(CN(C)C(=O)C#CB(O)O)c1	2303632805	VFYMHBLJNMNGBH-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]2C(F)F)ncc1F	2303835823	CPHCHPWMVUTZSI-ZETCQYMHSA-N	245.997	-0.256	50	10	BBGE	
COC1CC(Nc2ccc(B(O)O)cc2C#N)C1	2317150954	LNYXNLNKHMYQKD-UHFFFAOYSA-N	246.075	-0.173	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@H]2CCO[C@H]21	2317168707	XRUUMXUFZIRKFK-YUSALJHKSA-N	244.059	-0.563	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)nc1	2325334409	LDGYPNMZPWHCJW-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
O=C(NC1Cc2nccnc2C1)C1(B(O)O)CC1	2326693488	OIOVVWRIBHBULV-UHFFFAOYSA-N	247.063	-0.933	50	10	BBGE	
CO[C@H]1O[C@H](CBr)[C@@H](O)[C@H]1O	35923870	XDYMFLLJHRJOHK-KAZBKCHUSA-N	227.054	-0.526	50	10	BBGE	
CC(C)NC(=O)CNC(=O)NC(=O)CCl	36782102	XUYWSTMHRNBZHW-UHFFFAOYSA-N	235.671	-0.424	50	10	BBGE	
CCCn1c(SCC(=O)NN)n[nH]c1=O	82472647	XGQAZAWRKCCRGC-UHFFFAOYSA-N	231.281	-0.937	50	10	BBGE	
C[C@H]1SCCN(CC(=O)NN)[C@@H]1C	156895566	WYFBVYCWUAYKSN-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
CC1C[C@@H]2C(=O)N(CCC(=O)NN)C(=O)[C@H]2C1	160139119	GJRZQAAKWVASCM-YUMQZZPRSA-N	239.275	-0.603	50	10	BBGE	
N#C/C(=N\OC(=O)NCCCl)C(N)=O	205441763	MODAGDJRHQXVIN-NYYWCZLTSA-N	218.600	-0.684	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\NCCCO	216806941	XKVZYJQJWHIAIB-KTKRTIGZSA-N	241.291	-0.481	50	10	BBGE	
CC[C@H]1CN([C@@H](COC)C(=O)NN)CCO1	232419210	BSRYAAVPOMTJNL-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
COC[C@H](SCC[C@@H](C)N)C(=O)NN	232421697	HYRQYNZQMRQGLN-RQJHMYQMSA-N	221.326	-0.538	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251556453	PHHATSFRLVCSQH-FXQIFTODSA-N	213.281	-0.648	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1CCCO	251568315	UAUIOHNXQHHKPY-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CSc1cc(B(O)O)cc2[nH]cnc12	306553512	BNVCDNURUJTIKJ-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	306688218	MOBZTRJWBYSEIG-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COC[C@@H]1Cl	307588746	YJPYHSJHLBPGOY-WDSKDSINSA-N	228.701	-0.611	50	10	BBGE	
CC(=O)NNC(=S)NC(=O)C(C)C	307684061	VJBAVPRXASUXMV-UHFFFAOYSA-N	203.267	-0.316	50	10	BBGE	
CCN[C@@H](C)Cc1cccc(B(O)O)c1	308899212	TZWLMMLMUUKAFH-VIFPVBQESA-N	207.082	-0.093	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)C(=O)/C(C#N)=C(\C)N	309047082	LLNASDIMUCQSCH-KQQUZDAGSA-N	218.216	-0.363	50	10	BBGE	
CSCC(=O)NNS(=O)(=O)C(C)C	379369153	DDQGQZQXBNXIML-UHFFFAOYSA-N	226.323	-0.292	50	10	BBGE	
CC(C)(CN1CC[C@@](C)(CO)C1)C(=O)NN	381335346	CSJNNVRTTBBDAK-LLVKDONJSA-N	229.324	-0.293	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@](O)(C(N)=O)C1	389612320	DWENXZSPVCFQFC-VXNVDRBHSA-N	231.683	-0.570	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)c1ccco1	393761960	MIGDLLDMFNEOGO-LURJTMIESA-N	211.221	-0.222	50	10	BBGE	
CCOc1ccc(B(O)O)cc1CCC=O	396087024	AUFXEQGUBRPMHU-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
CNC(=O)[C@H]1CCN(CCCCC(=O)NN)C1	398445217	AKDUDSLULQRSTO-VIFPVBQESA-N	242.323	-0.786	50	10	BBGE	
COCCC(=O)NCc1cccc(B(O)O)c1	405010823	TVBSAGKQIMVIAG-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
CCN1CCN(CCCCC(=O)NN)C1=O	689018477	KOLKLPNWCPTVHV-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCC[C@@H]1O	689263392	UHSJVTNGOUFOJN-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](OC)CC1	692058485	ARMLLOYMHXHECX-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)N(C)C)N1CCC(O)(C#N)CC1	692090412	JPPFNCWDNMENIK-SECBINFHSA-N	225.292	-0.186	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](C#N)C1	693907941	QYLAOJCBCSPTEG-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
CCN(C1CCC1)[C@@H](COC)C(=O)NN	706762794	QEDLDAWCMQEDKZ-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CNNC(=O)Cn1cnc2sccc2c1=O	707523586	UQJSNDNCGUBABM-UHFFFAOYSA-N	238.272	-0.291	50	10	BBGE	
COCCC(=O)N1CCc2cccc(B(O)O)c21	712149375	NQWSIBAAPFLFIV-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
C[C@@H](O)C1CN(CCCCCC(=O)NN)C1	719807088	LBPNJQYEPHVIAI-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CNC(=O)N1CCN(C(=O)CCl)CC1	721654509	RYCADTRMDDVLQH-UHFFFAOYSA-N	219.672	-0.291	50	10	BBGE	
O=C(Nc1ncnc2c1=NCN=2)OCCl	725686942	JNXBZTSQKVYSEY-UHFFFAOYSA-N	227.611	-0.568	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)CC(N)=O)n1	740740154	NMOWVHGHEDKEOC-UHFFFAOYSA-N	223.236	-0.588	50	10	BBGE	
CCCNC(=S)NNC(=O)[C@@H]1COCCO1	745173618	ZETDMSJQDRWECQ-ZETCQYMHSA-N	247.320	-0.693	50	10	BBGE	
C[C@H]1CC(=NNC(=O)[C@@H]2COCCO2)CN1C	761814232	ZSDJLWGWJOPAOV-WPRPVWTQSA-N	241.291	-0.402	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](O)c1ccc(C#N)cc1	780907061	JINVRNRGIBAZQN-SECBINFHSA-N	248.242	-0.448	50	10	BBGE	
C[C@@]1(C(=O)NNc2ncccn2)CCC(=O)NC1	798878221	KDCNFOYMSPYIFF-LLVKDONJSA-N	249.274	-0.164	50	10	BBGE	
CCOC(=O)/C(C#N)=C/N[C@H]1CCNC1=O	849173815	DLSKFBIGKPDBFM-CZEYKFRCSA-N	223.232	-0.565	50	10	BBGE	
CN(NC(=O)/C=C\Cn1cncn1)C1CC1	911291035	DAKMIYPDNPLVOJ-IHWYPQMZSA-N	221.264	-0.040	50	10	BBGE	
C[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(N)=O	1466763283	FFBCDIWHXWSTBU-LVWLXAFTSA-N	247.258	-0.683	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)C2CC2)CCN1	1623970525	PBHHSBRCTCDLKY-QMMMGPOBSA-N	239.275	-0.540	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)C(C)(C)O)nn1	1638762403	UUVVCEQKZVBWFO-UHFFFAOYSA-N	238.247	-0.683	50	10	BBGE	
C=C=CCNC(=O)c1ccc(B(O)O)cc1	1641381942	AEWBVZSTEFWORE-UHFFFAOYSA-N	217.033	-0.563	50	10	BBGE	
CCC(=O)NNC(=O)NCCN1CCOCC1	1857991366	MAYWXKXXKAHNSQ-UHFFFAOYSA-N	244.295	-0.941	50	10	BBGE	
C[C@@H](N)CS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883564062	PWBDFASKOOESQW-DSYKOEDSSA-N	226.729	-0.120	50	10	BBGE	
C[C@H]1CN(C(=O)F)C[C@@H]1CS(N)(=O)=O	1887172884	FMKFBXPKPYQBFK-NTSWFWBYSA-N	224.257	-0.068	50	10	BBGE	
CC(C)(C)OC(=O)c1cc(N)cc(B(O)O)c1	1887522101	BLLQROTVIFJIBG-UHFFFAOYSA-N	237.064	-0.096	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@H]1CNCCO1	1893107871	OXFCHJDUHANNQA-GJMOJQLCSA-N	218.684	-0.282	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2nc(B(O)O)cs2)CCO1	1897965815	NYLRGQJSLJBOIC-RQJHMYQMSA-N	243.093	-0.231	50	10	BBGE	
C[C@H]1CCCN[C@H]1C(=O)NN(C)S(C)(=O)=O	1901338902	FECXPGXVJGMAFD-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@H](C)C(N)=O	1901753431	VKDHHHBVCVYUMR-JGVFFNPUSA-N	230.312	-0.659	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1906867735	XCZSDNQVUMQIQC-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H]2C)ncc1B(O)O	1909165690	INMWCOZDUWVQLE-VDTYLAMSSA-N	235.052	-0.941	50	10	BBGE	
NC(=O)C1(O)CN(C(=O)CCCCl)C1	1915235652	DGJJPXOVXFQRRN-UHFFFAOYSA-N	220.656	-0.936	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154507	GQTDPNKJIUUITQ-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@@H]1C(=O)NNC(=O)C(F)(F)F	1923410128	RGHIJFIUYTWQCZ-RXMQYKEDSA-N	239.197	-0.210	50	10	BBGE	
NC(=S)NNC(=O)C12CCN(CC1)CC2	1928065428	SSELFIPXRTZXQA-UHFFFAOYSA-N	228.321	-0.663	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]2CCCC[C@@H]21	1928146392	FKCCARYMHYGOKH-XHNCKOQMSA-N	211.070	-0.059	50	10	BBGE	
C[C@H]1CCN(C(=O)NN)[C@@H]1C(=O)N(C)C	1928671210	HRFDSKOXDNIITH-BQBZGAKWSA-N	214.269	-0.632	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C(F)F)C1CC1	1928788503	CHKWMOQLKFCVFG-SCSAIBSYSA-N	207.180	-0.864	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H](O)[C@H](F)C1	1929871598	FQVSRUXJBPETPK-RITPCOANSA-N	231.676	-0.430	50	10	BBGE	
CN(C(=O)CCl)C1CS(=O)(=O)C1	1932007208	LYQUNYXHYBUARO-UHFFFAOYSA-N	211.670	-0.519	50	10	BBGE	
COC[C@@H](NC(=O)[C@@H](C)Cl)C(N)=O	1932167112	ZNCSBKNVJHYNLM-RFZPGFLSSA-N	208.645	-0.770	50	10	BBGE	
CCCN(CCOC)C[C@H](C)C(=O)NN	1933484238	RHLJJFGUMQQQHH-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
Cn1cccc(OCCC(=O)NN)c1=O	1935113092	VTJGZSOVTCDSIW-UHFFFAOYSA-N	211.221	-0.856	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN2CC[C@H]1C2	1936085209	PRWMBPDBIFKATC-KXUCPTDWSA-N	224.308	-0.998	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)(C)C)OC	1937152418	FTTOPNCVSQCMFC-MRVPVSSYSA-N	233.312	-0.099	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2CCC[C@@H]21	1937415821	RGGSBOROPGRGBY-WDSKDSINSA-N	233.218	-0.378	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](O)(CC)C1	1937985597	TVXTWGYCOHXGAZ-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CN(C[C@H]1CCOC1)CC1(C(=O)NN)CC1	1938247496	UMGRATHSWQYCJR-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[C@]1(CO)CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941085521	DJMHYEHNXRZHIT-FOGDFJRCSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](CCOC)C1	1943674283	SRRZWNGIOPLIFI-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@@H]1C	1944297584	GNPAYQDEILPZMS-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
CN(C)CCN(CCO)CCCCC(=O)NN	1949777664	XXPBALDNJIGNKW-UHFFFAOYSA-N	246.355	-0.998	50	10	BBGE	
COc1ccc([C@@H](N)[C@H](O)C#N)c(OC)n1	1952956620	MWRUSWHUSVSZTD-VXNVDRBHSA-N	223.232	-0.017	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cc2ncccn2n1	1953040249	IKWGKAKJBOTJLH-VXNVDRBHSA-N	203.205	-0.386	50	10	BBGE	
COc1ccnc(O)c1[C@@H](N)[C@H](O)C#N	1953061898	ZQOIYTYLDGZQFR-XRGYYRRGSA-N	209.205	-0.320	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@H]2CO)[nH]1	1957828947	TVDLTWIRFNKDGU-WHFBIAKZSA-N	229.671	-0.762	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@H](O)C1	1960247178	IJIMDQNKXGZHSJ-YIZRAAEISA-N	213.281	-0.766	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1[C@H](C)CC(=O)NN	1961553734	PLLMYGBTWNUNKH-KUTMEBCESA-N	233.337	-0.792	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1962372528	GGOPBPJTKJKUGF-ALXASZRJSA-N	233.695	-0.044	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CC(=O)N(C)C1=O	1962389189	CEMJBNWFHRGYOI-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
CC[C@H](C)Cn1cc(B(O)O)ccc1=O	1975100219	AXWZXVHEAUMBGQ-QMMMGPOBSA-N	209.054	-0.426	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H](O)C1	1975104458	QPSLOHQEAPGYRO-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
NNC(=O)CCCN1CCC(F)(CO)CC1	1975531737	QDHIJHBIFPZJBZ-UHFFFAOYSA-N	233.287	-0.447	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnn(C)c1Cl	1979281817	YXILNOBGALBHNF-ZCFIWIBFSA-N	245.714	-0.116	50	10	BBGE	
CCN(C)C1CN([C@H](C)[C@H](C)C(=O)NN)C1	1980601169	GZJFZRCSVQWILL-DTWKUNHWSA-N	228.340	-0.363	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)CCS2(=O)=O	1980758217	HJJHSWGVYOMSTJ-UHFFFAOYSA-N	240.284	-0.119	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1C[C@H]2O	1981216601	KZOGMGYBXLAKMB-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCCC[C@@H]1O	1981407360	ODUKDZSBUCHHEF-YUMQZZPRSA-N	229.280	-0.872	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H](F)C2)nc1	1981412166	RPJQBQAIHDPPRG-SECBINFHSA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1ccc(N2CC3(CC3)CO2)nc1	1981415472	FENYZYLPPCQNKP-UHFFFAOYSA-N	220.037	-0.707	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H]2CO)C1	1985356397	DSYOBUIJCWQNEY-BBBLOLIVSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CCCN(C2CN(CC(=O)NN)C2)C1	1987897828	KKGNBLYGZYXHRC-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	1991328071	CZXCUYGDKOUOGP-CNUIFLNQSA-N	225.053	-0.762	50	10	BBGE	
Cn1[nH]c(CCN)nc1=NC(=O)[C@H]1C[C@@H]1Cl	1991685966	NTZGXPQFZIQCBG-WDSKDSINSA-N	243.698	-0.696	50	10	BBGE	
C=C(CN1CCCN(CCC)CC1)B(O)O	1992146113	QPLYMWGNRNWOQJ-UHFFFAOYSA-N	226.129	-0.028	50	10	BBGE	
C[C@@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1CCC1	1998130808	OKHQIDGMGWDLMP-SVRRBLITSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@]1(C)CO	2003267145	HYXCPDGZRLTYIT-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H]1[C@H](C)CCN1c1ncc(B(O)O)cn1	2004919712	CDXBQWGEXQDIFB-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
CCOCC1CN(c2ccncc2B(O)O)C1	2004938425	CXRUZRTUHXPKRJ-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC2(COC2)C1	2008872659	CNQHYARJAICHCT-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCNC(=O)C1(C)C	2018185294	OMKYCXVCWKPQSH-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCC12COC2	2020928536	JFQZPPDVNMSZSC-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCC12COC2	2051855042	BVJNBJFUAVNSIY-UHFFFAOYSA-N	247.103	-0.350	50	10	BBGE	
CN(C[C@@]12CCC[C@@H]1C2)c1ncc(B(O)O)cn1	2052469634	SZGWMCSKIZYEQN-SKDRFNHKSA-N	247.107	-0.217	50	10	BBGE	
NNC(=O)c1cncc(CN2CC=C[C@@H]2CO)c1	2056277114	LHHNLAZKYMDADN-LLVKDONJSA-N	248.286	-0.582	50	10	BBGE	
COCc1ccccc1Cn1cc(B(O)O)cn1	2071399519	KXBVNUOORNJWPI-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
CCc1nnc(C)cc1C(=O)NCC=CB(O)O	2076075325	CLBGIKHPLLCYGN-UHFFFAOYSA-N	249.079	-0.355	50	10	BBGE	
CN1CCC[C@@H](OCc2ccc(B(O)O)cc2)C1	2077341239	YLUVSMJVOIRKFP-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
Cc1nc(N2O[C@H]3C=C[C@H]2CC3)ccc1B(O)O	2077856363	UKLDMQVJTVCVNA-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
N#Cc1cccn1CC12CC(C(=O)NN)(CO1)C2	2082594493	PJUOJELJFZAPQW-UHFFFAOYSA-N	246.270	-0.101	50	10	BBGE	
CCN1CC[C@@H](O[C@H](C)C(=O)NN)C1	2209994869	FMEWMXGAPYEQNW-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]1C(F)(F)F	2210157027	DTXRNMZCAOUIDV-WHFBIAKZSA-N	239.197	-0.319	50	10	BBGE	
CC[C@@]1(C)C[C@H]1Nc1ncc(B(O)O)cn1	2212604421	WEPGYTIYGMNQBG-SCZZXKLOSA-N	221.069	-0.243	50	10	BBGE	
CNCCCCOc1ccc(B(O)O)cn1	2212605674	IOCVHDJCNPZWRD-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
CO[C@@H](C)CCN=c1cc(B(O)O)cc[nH]1	2212610782	OVATVMYOLAPNJG-QMMMGPOBSA-N	224.069	-0.980	50	10	BBGE	
NCC1(Nc2ncccc2B(O)O)CCCC1	2217171776	FBVBPDIKMIPYDM-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3COC[C@@H]32)nc1	2217179232	IHQJJUNZJBHGTK-ILWJIGKKSA-N	234.064	-0.934	50	10	BBGE	
Cc1cnc(O[C@@H](C)C2(N)CC2)cc1B(O)O	2217181025	NCCQYTOAYKKEHU-QMMMGPOBSA-N	236.080	-0.672	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCC[C@@H]2O)nc1	2217185521	YOKGLVHEYMCYAO-UWVGGRQHSA-N	236.080	-0.523	50	10	BBGE	
N[C@@H]1CCC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217187242	VOYRVGLKJTYYKV-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CCO1	2217194793	COPSDWJCTNCEFC-SCZZXKLOSA-N	237.064	-0.292	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCN2CCCC2)c1	2223637077	NWEBFKQNYVNSPH-UHFFFAOYSA-N	249.123	-0.919	50	10	BBGE	
N[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C12CCC2	2223638199	VHJSJPBGRXTRKF-NXEZZACHSA-N	247.107	-0.557	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1c1ccc(B(O)O)cn1	2223651584	CUVAHNOXDLXJNW-NSHDSACASA-N	247.107	-0.932	50	10	BBGE	
Cc1cnc(N2CCC[C@H](N)[C@@H]2C)cc1B(O)O	2223652419	JBJMNJIDDCJGRJ-ONGXEEELSA-N	249.123	-0.614	50	10	BBGE	
OCC12CCC(CC1)N2c1cc(B(O)O)ccn1	2223677793	SRPMUYLUBHTMSK-UHFFFAOYSA-N	248.091	-0.745	50	10	BBGE	
CC(F)(F)CNC(=O)C1(B(O)O)CC1	2241473979	UNNFIKHRVZAINE-UHFFFAOYSA-N	206.985	-0.235	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@@H]2C[C@H]21	2243349259	IOOCOVVUDFQAIF-IYSWYEEDSA-N	238.077	-0.943	50	10	BBGE	
CC(C)(F)CNC(=O)c1csc(B(O)O)c1	2243349600	NRYBWGFPZDZWRY-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]12CCC[C@@H]1CSC2	2243349745	PYOKCBTZDYWHIZ-PSASIEDQSA-N	239.105	-0.596	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)c[nH]2)CC1	2243356449	IBAQLOXNHPLTON-UHFFFAOYSA-N	222.053	-0.776	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)C1(B(O)O)CC1	2243358684	JHAZMVSFXCIJSZ-APPZFPTMSA-N	225.053	-0.711	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H](F)C1	2243361766	GVJAXGZDEQPSPE-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2243364157	RZTUFWDSGYTIKF-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CCON(CC)C(=O)c1sccc1B(O)O	2243375639	WQGLXYMSCFCRKU-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
O=C(NCCCCF)c1ccsc1B(O)O	2243397692	HOYRLIIYRIISQO-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
CS[C@H](C)CNC(=O)c1ccoc1B(O)O	2243400181	WXZIWKFFRZIJAG-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)C1CC(B(O)O)C1	2243404506	PIOSRAOLORUQHV-AFPNSQJFSA-N	229.085	-0.267	50	10	BBGE	
CC[C@H](O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420618	WISJMWQKPQTIML-BGZDPUMWSA-N	229.085	-0.485	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H](C)C(=O)O	2243753306	SKCSLBWGCODYTP-RITPCOANSA-N	229.041	-0.781	50	10	BBGE	
C[C@H](Cl)CC(=O)NCc1noc(C(N)=O)n1	2244163724	NYPJIAIKUSAVFR-BYPYZUCNSA-N	246.654	-0.198	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)co1	2244212872	WLNXCNCBFHTMFW-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CC[C@H](O)CN2)CC1	2246497830	QJHLETBKKNFLFS-QWRGUYRKSA-N	235.287	-0.218	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1ccoc1B(O)O	2247742772	UAAYBGRIPFAHFP-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2247754361	FYJKVISGRUMVPZ-HRDYMLBCSA-N	239.080	-0.371	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NC(C)C)c1	2247759845	XJIRSLPKWGQZHG-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786993	JREOXXDRZUXZBI-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(C1CC1)C1CNC1	2247792801	UXNSGQQRRNLFBE-OCAPTIKFSA-N	238.096	-0.798	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cncn1C	2247798523	VBWAGBUGMBUCTJ-FXQIFTODSA-N	237.068	-0.540	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC2(CC2)C1	2247804925	ITINUQQRZVUHIQ-KYZUINATSA-N	239.080	-0.369	50	10	BBGE	
Nc1ccccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247805421	KDWFTJAFBCCBDU-RKDXNWHRSA-N	234.064	-0.252	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	2247809233	YKCSCTPUIQDGTA-IUCAKERBSA-N	240.112	-0.598	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)c[nH]2)on1	2247847662	ZYWTVEHAALWYTO-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C#CCCNC(=O)c1cc(F)ccc1B(O)O	2247868259	RHOYTFLYMCCEHK-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
O=C(N1CC[C@H]2CNC[C@H]21)C1(B(O)O)CCC1	2247877423	ANZISWPJHSCHIY-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CCC1(NC(=O)c2cc(C)c(B(O)O)o2)CC1	2247891328	XKGAGIPLTFNMPB-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
Cc1ocnc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247898865	IERLIOPMVQJWGU-SFYZADRCSA-N	238.052	-0.196	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCN[C@H]2CC[C@H]21	2247902316	FAZIIRFDOHUQGZ-HORUIINNSA-N	238.096	-0.798	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248585159	HCABQAOZIFEDDJ-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@@H]21	2249416306	PPDWNEJVWFBWED-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)NCCC#CB(O)O	2250008735	PJMLRKNURPMRPT-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
CON(CC1CC1)c1nccc(C)c1B(O)O	2250999300	GFSADADNBBTEKV-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1coc(B(O)O)c1	2255455715	DQDDUCFXDJJOSW-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N=c1cc[nH][nH]1	2255511301	HLAROIVEKHXFSV-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)cc(OC)c1	2255680979	PEUAIMRQZWGYDK-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
CCC1(CNC(=O)c2ccncc2B(O)O)CC1	2255729001	OSJJKLGVHGHESZ-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(N=c1cco[nH]1)Nc1ccccc1B(O)O	2255916674	HRKFYCMFAIOAEJ-UHFFFAOYSA-N	247.019	-0.580	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)cc1O	2255952326	RDUKDTMYQUPOKC-UHFFFAOYSA-N	247.059	-0.785	50	10	BBGE	
C#CCOCC(=O)Nc1ccc(B(O)O)cc1C	2256680022	QBUSUVUZKKYOGW-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297960776	ADDGJNJHJHGSPS-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368644	QAWOELDDXJPFSG-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369410	UCKOKPSEIAPVFA-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@H]1C[C@@]12CCOC2)[C@@H]1C[C@H]1B(O)O	2298377568	WDOQXQFEFOAYAF-TURQNECASA-N	239.080	-0.608	50	10	BBGE	
Cc1cc(OC[C@H]2CCN2C)ncc1B(O)O	2298953640	VVNCSPQFVAXSBY-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CCN(CCC[C@H]1C[C@H]1C(=O)NN)CC(N)=O	2300372467	QVMWHGBSCMKXDL-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
CNC(=O)CN(C)CCCCCCC(=O)NN	2300628093	LLJXWYULQCDWSS-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](N)CCC(N)=O	2302404695	AVHYKLGLEAPZSV-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
Cc1n[nH]cc1C(=O)N1CC[C@](C)(B(O)O)C1	2303107589	YWMNEQXHRWTJOG-JTQLQIEISA-N	237.068	-0.203	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@H]1F	2303834610	IXHZCNDOFOGWHW-IMTBSYHQSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H]1[C@H](CN=c2cc(B(O)O)c(F)c[nH]2)[C@@H]1C	2303835163	RQVNVPZVSLOODM-RNLVFQAGSA-N	238.071	-0.364	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)CO1	2303836366	LOJUYIORLXKBCH-BQBZGAKWSA-N	240.043	-0.510	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3C[C@H]3C2)ncc1F	2303847076	CGYIJJITABZYLG-SFYZADRCSA-N	236.055	-0.253	50	10	BBGE	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCl	40537801	NQOGNULZRHMKEX-NTSWFWBYSA-N	225.697	-0.226	50	10	BBGE	
COCCNC(=O)CCNC(=O)CCl	41729364	WPHCTIWKIJYBNB-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
NNC(=O)CN(CCO)Cc1ccccc1	58839114	CNOIZNAOGUZUEE-UHFFFAOYSA-N	223.276	-0.529	50	10	BBGE	
CCOC(=O)c1cnn(C)c1C(=O)NN	75848734	AEXMLBVAUWHLMP-UHFFFAOYSA-N	212.209	-0.800	50	10	BBGE	
N#Cc1cc(-c2ccncc2)n(CC(=O)NN)n1	76846795	PEJAENFTKYCQDO-UHFFFAOYSA-N	242.242	-0.193	50	10	BBGE	
CCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	82467058	KBYLHWHSEHCBOI-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnn(C)c1	82470443	IRUPEPDZTPVHIS-VIFPVBQESA-N	225.296	-0.380	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCC(=O)NC1	82516165	WGXWZHSCUBNDKA-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
Cc1ccc(=O)n(Cc2occc2C(=O)NN)n1	104117145	PXZWTPMYOORXQE-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)NC(=O)[C@@H]1COCCN1C(=O)CCl	130249837	ZSUPOWXVZPFLDD-QMMMGPOBSA-N	248.710	-0.023	50	10	BBGE	
C[C@H]1CN(C[C@H](C)C(=O)NN)C[C@H](C)O1	169615997	DOXDICKGIDCSNM-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
NC(=O)c1ccc(C(F)(F)F)c(B(O)O)c1	217878405	WULHCNCKNVUWLM-UHFFFAOYSA-N	232.954	-0.516	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)[C@@H]1CO	227214914	AZMGTTXEIZJFJM-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CCS[C@H]1CCC[C@H]1NC(=O)C(=O)NN	233829887	HPDFVOAAGWDQPX-RQJHMYQMSA-N	231.321	-0.233	50	10	BBGE	
COC[C@H](S[C@@H](C)[C@@H](C)O)C(=O)NN	234714782	PNVKNLHJYSQZRW-VQVTYTSYSA-N	222.310	-0.506	50	10	BBGE	
COc1ccc2sc(B(O)O)nc2c1	238385956	UCEOYNUHBHAVQW-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
N[C@@H](COC(=O)C(Cl)Cl)C(=O)O	238600739	QJFURBWRVFQKAO-REOHCLBHSA-N	216.020	-0.255	50	10	BBGE	
N#CC[C@H](N)c1ccc(B(O)O)cc1F	238617896	XOPHGYJCNLGCGJ-VIFPVBQESA-N	208.001	-0.581	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H]1CO	299911363	NTCCMPSCZGIJAY-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CNCCN(C)Cc1ncccc1C(=O)NN	302287793	FYGWPCHYKNZUTN-UHFFFAOYSA-N	237.307	-0.664	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CCC2)c1	309206880	MSKZQZAXDCJXTK-UHFFFAOYSA-N	221.065	-0.419	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1ccccc1B(O)O	310217337	LWQBAXGXLXKIIG-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@@H]2COC[C@H]21	384776499	GPYSZFULGPYQMD-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(CN1C[C@H](O)C(C)(C)C1)C(=O)NN	388185406	NWXUUFZZDIXEBW-QMMMGPOBSA-N	229.324	-0.295	50	10	BBGE	
CCc1cc(B(O)O)ccc1CCC(=O)O	396062515	WDZULLFOJPSIKC-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)C[S@](C)=O	399996821	XALBUBNHRLAIPA-LGZSNQIQSA-N	249.380	-0.300	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2CCCO2)c(B(O)O)c1	405008258	RELFBJGLWHPRPQ-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2COCCO2)cc1	584909087	CNHQFUUUFSJOAC-LLVKDONJSA-N	238.048	-0.839	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CCO[C@H]1C(=O)O	715509923	CVFILOAIEWGPEI-NKWVEPMBSA-N	231.252	-0.748	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@H](O2)C1=O	719394098	VILNRPUWHKCPLW-JGVFFNPUSA-N	227.264	-0.854	50	10	BBGE	
NCCCCSC[C@H]1CC[C@@H](C(=O)NN)O1	723639683	UBKUUSOFTSVMKL-BDAKNGLRSA-N	247.364	-0.004	50	10	BBGE	
Cc1cc(CC(=O)NNC2=NCC(O)=C2)n[nH]1	747629164	FIZXZCJECCZVFK-UHFFFAOYSA-N	235.247	-0.265	50	10	BBGE	
O=C(NNc1ncccn1)[C@@H]1[C@H]2COC[C@H]21	820934638	GGWBKRHKNISLNM-JIGDXULJSA-N	220.232	-0.188	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H](OC)[C@H]1CCOC1	854408872	BNAMPJAEQLEWHN-JGVFFNPUSA-N	246.263	-0.233	50	10	BBGE	
CC(=O)NNC(=O)/C=C\COC1CCOCC1	1118920698	SSOHHYCZQUQQKH-IHWYPQMZSA-N	242.275	-0.095	50	10	BBGE	
O=C(CCc1cnn[nH]1)NNc1ncccn1	1136160419	FXVFUCIPMRMLEN-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC1(F)F)c1ccnnc1	1162160388	RRYLOHRQWUHOLA-ZCFIWIBFSA-N	242.185	-0.107	50	10	BBGE	
CCC(=O)NNS(=O)(=O)c1cnc(C)[nH]1	1251539796	WXUXRSIKWQOPNL-UHFFFAOYSA-N	232.265	-0.562	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@](C)(O)COC	1444745921	ZIWGMKTWTAURBF-WDDYJBPVSA-N	242.275	-0.056	50	10	BBGE	
CN(NC(=O)C[C@H]1C[C@H]2CC[C@H]1O2)C(N)=O	1466168095	RUFHOPRMRLUJGT-BWZBUEFSSA-N	227.264	-0.014	50	10	BBGE	
CNC(=O)NNC(=O)Cn1ccnc1C	1543664576	OKHPLANMFXNTCQ-UHFFFAOYSA-N	211.225	-0.848	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc(F)c1OC	1543665059	RRZXMCRUSWEOTM-UHFFFAOYSA-N	242.210	-0.197	50	10	BBGE	
CCOC(=O)C1(C(=O)NNC(C)=O)CC1	1587581688	ISFAGQAZBLWJLP-UHFFFAOYSA-N	214.221	-0.503	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)NC2CC2)nn1	1626790955	RJTQJIDAVLIFDR-UHFFFAOYSA-N	238.251	-0.596	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H]1Br	1880435120	YZDKMYAQGZMWLL-STHAYSLISA-N	222.042	-0.531	50	10	BBGE	
O=C1C[C@H](NC(=O)CBr)CCN1	1881022619	RAEQGHHUCMOTMN-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CCN1	1883647465	MTXMYQRRKAXKDA-UGQQDIOTSA-N	202.641	-0.214	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1C[C@H](O)CN1	1884410907	WHUBMSXFDLUIOQ-GHNGIAPOSA-N	218.684	-0.405	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCF)CCF	1888752004	KMIVTQUTRRKFAR-ZETCQYMHSA-N	209.240	-0.004	50	10	BBGE	
O=[N+]([O-])c1cc(Cl)cc(B(O)O)c1O	1893645971	ACSSTSWLNIAGGH-UHFFFAOYSA-N	217.373	-0.366	50	10	BBGE	
Cc1ccn([C@@H](C)CC(=O)NN)c(=O)n1	1893837667	HAPUFXJGAQPOIH-ZETCQYMHSA-N	210.237	-0.507	50	10	BBGE	
O=C1CN([C@]23COC[C@H]2C3(F)F)CC(=O)O1	1894482317	VPYGXKOKBWDSNQ-SVGQVSJJSA-N	233.170	-0.594	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1C=CCN1	1896460061	HBEXCCWYSKGWFR-SDLBARTOSA-N	214.652	-0.048	50	10	BBGE	
O=C(CCl)N1CC[C@H]2C[C@H]1[C@H](O)[C@H]2O	1897085844	OBTBNKNRUIDJGZ-XRRXOLGASA-N	219.668	-0.432	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](N1CC(=O)OC(=O)C1)CO2	1900577777	OBLUBSBATSZOKI-XLDPMVHQSA-N	225.244	-0.061	50	10	BBGE	
COCCCCCN(C)C(=O)C#CB(O)O	1902601242	HKIGBXBEVUXXEQ-UHFFFAOYSA-N	227.069	-0.723	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@H]1C)C(=O)NN	1902716335	QXNPKWMHNBHYKM-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](C)(Cn1ccn(C)c1=O)C(=O)NN	1902731088	KPVUYAQOPHVLJI-JTQLQIEISA-N	226.280	-0.407	50	10	BBGE	
CCCCCN=c1cc(B(O)O)c(F)c[nH]1	1903006853	YVEHPHWFDJKCDZ-UHFFFAOYSA-N	226.060	-0.076	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	1904687511	FUIMYMLHUFUZQZ-VGMNWLOBSA-N	228.101	-0.742	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1csnc1B(O)O	1904906482	JEIGUQJNZRUOEU-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1906341853	YFNCNEZRCHKFJS-HOSYDEDBSA-N	241.335	-0.295	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@@H]2C[C@@H]21	1907081922	XHJPMFDBNBNEHB-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)[C@H]1C	1914261602	HJRUGZBXOZARFB-FNCVBFRFSA-N	215.297	-0.544	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)C(C)(C)C(N)=O	1915522397	FHSUFTODWSECBU-UHFFFAOYSA-N	244.339	-0.412	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915522571	DOFAZVZPIUPQOB-SSDOTTSWSA-N	230.312	-0.659	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917099754	BBFZDUHHALKJSD-MWLCHTKSSA-N	247.314	-0.203	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1NC(=O)NC(=O)CCl	1922127531	ATRPANATMABCCT-NKWVEPMBSA-N	249.698	-0.620	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N1CC[C@@H]1CO	1923192525	VXLNVAAQPXCBPW-SCSAIBSYSA-N	241.169	-0.644	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnon1	1923410275	JQHFTZWOLQFVBF-UHFFFAOYSA-N	224.098	-0.607	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CN=CN1	1923417214	OFADRXSQVVDKFS-ZCFIWIBFSA-N	228.252	-0.458	50	10	BBGE	
CC[C@@](C)(CO)SCCOCC(=O)NN	1928180840	GNMLSBPAFZHLMK-VIFPVBQESA-N	236.337	-0.113	50	10	BBGE	
C[C@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1931260300	JUCKZBISFITIKF-VIFPVBQESA-N	213.281	-0.787	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C=CCCC2)c1	1932603563	GDUDMIBJVSRKEK-VIFPVBQESA-N	206.054	-0.081	50	10	BBGE	
CCON(CC)Cc1nsc(C(=O)NN)n1	1937115235	RCMSNLPCSYRUMI-UHFFFAOYSA-N	245.308	-0.085	50	10	BBGE	
NNC(=O)C(=O)N1CCC(O)(C2CCC2)CC1	1940291366	KQICBUGKQFVRLM-UHFFFAOYSA-N	241.291	-0.870	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](CO)C2(CC2)C1	1941088317	PPDUZZQYFQENFV-KXUCPTDWSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2nccc2C1	1941177882	JHRCAIGJDSYAEJ-SECBINFHSA-N	237.307	-0.143	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCn2nccc2C1	1941184430	UIUYJTGYCFCFKQ-WCBMZHEXSA-N	235.291	-0.675	50	10	BBGE	
CC(C)CN1C[C@H](C(=O)NNCCO)CC1=O	1944214776	YVYLEVJDMGIZSV-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@@H]2CCC[C@@H]12	1945075715	UFMUDTHONYIWAQ-FXPVBKGRSA-N	241.335	-0.031	50	10	BBGE	
CCn1nccc1CN(C)C[C@H](C)C(=O)NN	1945490188	YIMHYWARZCFWJT-VIFPVBQESA-N	239.323	-0.039	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1945548530	GNKOYQSZPPZYDZ-FOGDFJRCSA-N	241.335	-0.295	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)C(=O)CCl	1951938555	VTUJJNARWLHZII-ZCFIWIBFSA-N	241.696	-0.656	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@](C)(O)CO	1953129632	LHARLSPLOMGGSW-VIFPVBQESA-N	220.269	-0.160	50	10	BBGE	
Nc1[nH]nnc1C(=O)NCC(Cl)Cl	1954185256	BPZZDGQOJZWDJV-UHFFFAOYSA-N	224.051	-0.080	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCS(=O)(=O)NC	1955557704	HAAAVWYXLHSJJZ-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(C#N)C1	1960085505	QVHPKKOTAMWMHA-QMMMGPOBSA-N	210.281	-0.154	50	10	BBGE	
COc1cncc(C(=O)NNC(N)=S)c1	1960564354	AWSCRHIKUGBUJK-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
NCCOCCSC[C@H]1C[C@@H]1C(=O)NN	1961087049	MDNGPTITGDWICA-SFYZADRCSA-N	233.337	-0.679	50	10	BBGE	
CC[C@@H](C)N(C)c1ccncc1B(O)O	1961695338	BXENDTPVADWYQD-MRVPVSSYSA-N	208.070	-0.004	50	10	BBGE	
CC(F)(F)COc1ccc(B(O)O)cn1	1961712039	IZIGBJWERVGCLK-UHFFFAOYSA-N	216.980	-0.205	50	10	BBGE	
COC1(CF)CN([C@H](C)CCC(=O)NN)C1	1980375752	BPANZSSUSRLOAP-MRVPVSSYSA-N	233.287	-0.185	50	10	BBGE	
CCN(C)C[C@@H]1CCCN(CC(=O)NN)C1	1980809146	GERZZAIZLYURRX-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	1980825938	NVNCSILHSWBLSU-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CCOC1	1981422384	NXBFAFLDVGYYLN-SECBINFHSA-N	223.037	-0.762	50	10	BBGE	
CS[C@@H]1CCN(c2ncccc2B(O)O)C1	1981423264	BGEDWNXLAANGEZ-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
COC[C@]1(C)CCN1C[C@H]1C[C@@H]1C(=O)NN	1982943972	IHSWVLBOZCSGCA-YWVKMMECSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C1(COCCn2cncn2)CC1	1986444656	CKOGOZPADCAHLG-UHFFFAOYSA-N	225.252	-0.935	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cccc(B(O)O)c1	1987775084	ZERAXIFWLATOHM-KCJUWKMLSA-N	222.049	-0.220	50	10	BBGE	
COC1(CCNC(=O)C=CC(=O)Cl)CNC1	1991647233	BBMTUPDYSDXIOX-UHFFFAOYSA-N	246.694	-0.197	50	10	BBGE	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H]1Cl	1991687363	UPZHPQZJUHMVBV-XAMCCFCMSA-N	247.678	-0.252	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H]1C(=O)NCC#CB(O)O	1992152988	KEVFMRRWCJEAED-BDAKNGLRSA-N	223.081	-0.200	50	10	BBGE	
C=C(Cn1ccn2nccc2c1=O)B(O)O	1992160090	RMBMJGBNRYVXNH-UHFFFAOYSA-N	219.009	-0.936	50	10	BBGE	
C=C(CN(C)C1CCN(OC)CC1)B(O)O	1992167092	DOGYIJUDJVKCSH-UHFFFAOYSA-N	228.101	-0.488	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@H]2C[C@@H]21	1996253847	MUZUAGBEUJLNRI-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@@H]2C1	2003508442	CGDKEYZAUOBTRG-HTQZYQBOSA-N	235.291	-0.525	50	10	BBGE	
C[C@H](C(=O)NN)N(Cc1ccnn1C)C1CC1	2003805120	KOTDZGMEFGWTRF-MRVPVSSYSA-N	237.307	-0.237	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CCC[C@H]2C1=O	2004109611	UBSQCGJPPCNIOK-ZYUZMQFOSA-N	237.303	-0.129	50	10	BBGE	
COC1CC(N(C)c2ncccc2B(O)O)C1	2004930130	REVVECXAEOIAJB-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(O[C@@H]2CO[C@@H](C)C2)ncc1B(O)O	2004935054	UWJIBEZUJQMBCA-XPUUQOCRSA-N	238.052	-0.979	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H]3C2)ncc1B(O)O	2004970457	BWBFZWKCYUYTLS-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
CC(C)(F)Cn1cnc2c(B(O)O)ncnc21	2007068241	KHHMLFRNWWIVQG-UHFFFAOYSA-N	238.031	-0.746	50	10	BBGE	
C[C@H](O)CN(C)Cc1ccc(C(=O)NN)nc1	2007740493	ITRTVYVZOFMGEI-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1cc(C(=O)NN)co1	2011153647	HFYOLMFAIPIROU-XCBNKYQSSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1CCC[C@@H](NC(=O)NCC#CB(O)O)C1	2021115193	KZOZGKQVMQAMQE-NXEZZACHSA-N	238.096	-0.120	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)c1ccc(B(O)O)cn1	2054286578	CBTBDYCOUREHTO-QWRGUYRKSA-N	248.091	-0.910	50	10	BBGE	
C[C@@H](CC(=O)Nc1ncc(B(O)O)cn1)C1CC1	2057358925	WFGVBFXWYJARMW-ZETCQYMHSA-N	249.079	-0.469	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccccc1B(O)O	2079009473	IARAKTQYMQDHRJ-JTQLQIEISA-N	245.087	-0.102	50	10	BBGE	
CC1(CO)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838307	FWHHYWHQRZBODK-BDAKNGLRSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCOCCO1	2211838760	LETVBZKRJRYAOW-IUCAKERBSA-N	229.280	-0.734	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cn1)C(C)C	2212602993	BQTYHGUNERXVJZ-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
CC[C@@H](CO)Nc1nccc(B(O)O)c1F	2212603470	GOJXYDPBOJYAHA-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
OB(O)c1ccnc(N2CCC23CCC3)c1	2212612702	NKNINYQUYZGQGA-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
OB(O)c1ccc(NC2(C(F)F)CC2)nc1	2212615411	OPBIYHHOCJECLU-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
OB(O)c1cncc(OCCOCCF)c1	2212726594	MCSZRSUIYLULNF-UHFFFAOYSA-N	229.016	-0.874	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCc1cnn(C)c1	2213539393	RIZVXNPYUAJFGZ-SNVBAGLBSA-N	239.323	-0.337	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215777500	SWXLVSORPWNOCQ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(COCCn2cncn2)CCC1	2216540810	RTFHIVLJBLMNKT-UHFFFAOYSA-N	239.279	-0.545	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2C(N)=O)CCCC1	2216870692	JPXPNRVTXJNDCA-MRVPVSSYSA-N	240.307	-0.904	50	10	BBGE	
CC[C@](C)(N)CCOc1ncccc1B(O)O	2217173590	PFDASVNTTXMYLF-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
C[C@H]1C[C@H]1CCN=c1[nH]ccc(B(O)O)c1F	2217184714	VQCXHEALVVAJNS-JGVFFNPUSA-N	238.071	-0.220	50	10	BBGE	
CC(C)(O)C(C)(C)Nc1cc(B(O)O)ccn1	2217196154	PYHNGJQAGFDGAJ-UHFFFAOYSA-N	238.096	-0.277	50	10	BBGE	
CO[C@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217198010	UZRFLERIDCFIKP-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cn1)[C@H](O)CC	2217202418	WNQBWRFMBVZYBY-VHSXEESVSA-N	238.096	-0.277	50	10	BBGE	
Cc1cnc(N2CCNC[C@@H](C)C2)cc1B(O)O	2223645793	ZCYVPNWXAPZGBK-SECBINFHSA-N	249.123	-0.884	50	10	BBGE	
CC1(C)CC[C@H](N)CN1c1ncccc1B(O)O	2223676228	YIPJMGCDZRPWSK-VIFPVBQESA-N	249.123	-0.533	50	10	BBGE	
CSC1CC(NC(=O)C#CB(O)O)C1	2241479505	ZKKDZVCXXPUGFW-UHFFFAOYSA-N	213.067	-0.988	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658708	HAURLOWPMTUKBD-AXMZGBSTSA-N	206.673	-0.420	50	10	BBGE	
CC1(C)C(=O)NC[C@H]1NC(=O)NC(=O)CCl	2243248106	BNLKWQHOGLDJDZ-RXMQYKEDSA-N	247.682	-0.424	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1coc(B(O)O)c1	2243347169	INEQEHFKRGXBBS-QMMMGPOBSA-N	221.021	-0.592	50	10	BBGE	
CC[C@@](C)(NC(=O)C#CB(O)O)C(F)(F)F	2243356758	MMGHLBUOQXDZHZ-SSDOTTSWSA-N	236.986	-0.151	50	10	BBGE	
O=C(C#CB(O)O)N1[C@H]2CC[C@@H]1C[C@H](F)C2	2243356952	PAVFZEMCYUPFNJ-AYMMMOKOSA-N	225.028	-0.507	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2C)sc1B(O)O	2243366844	JKOUDDBVOYHMBN-FSPLSTOPSA-N	239.105	-0.125	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)cn1C	2243366909	KJRNGALEPMZJAC-UHFFFAOYSA-N	222.053	-0.989	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)C1(B(O)O)CC1	2243397956	LSBXAMLNBPOQFI-OCAPTIKFSA-N	226.085	-0.798	50	10	BBGE	
CCC1(NC(=O)C#CB(O)O)CCOCC1	2243398282	CWUMVVFNNFFJKQ-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CCCOC1	2243408445	NGMDNHBQOXCLOM-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
CC1(NC(=O)c2coc(B(O)O)c2)CCC1	2243409368	GQBNLPVLZLECOQ-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NCC(F)F	2243413193	BAJOZEXXKUWRBX-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)sn1	2243415665	ZOBPOSBKTYWEHS-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]1O)C1CC(B(O)O)C1	2243416192	IJNQQVYBRSSAKG-KRTGUUSXSA-N	227.069	-0.874	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2243427029	PEZOFVFHMLWKJP-BWTWBLBVSA-N	221.065	-0.284	50	10	BBGE	
CC[C@H](COC)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243427410	VCQRICABUWSANV-HRDYMLBCSA-N	229.085	-0.267	50	10	BBGE	
C=C(CS(=O)(=O)N(CC1CC1)OC)B(O)O	2245122416	GGISAKZQXDKXEJ-UHFFFAOYSA-N	249.097	-0.842	50	10	BBGE	
C=CC1CN(C(=O)c2nscc2B(O)O)C1	2245434342	BMNIONAUYAADCL-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1coc(B(O)O)c1	2247731976	BNZVWGNDOHGEDK-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
CC[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2247746062	SWAVHKIEBQYEHQ-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
CN(C[C@H]1CC(C)(C)CO1)C(=O)C#CB(O)O	2247746717	CKKOXDVYBKDZJG-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
CC[C@@H](NC(=O)c1occc1B(O)O)C(F)F	2247755550	KGPXUUWIKCTSBK-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1cccc(B(O)O)c1F	2247759338	OVSZPGSVYVWNFI-JGVFFNPUSA-N	241.002	-0.654	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NOC(C)(C)C	2247763235	JNNZPAXIKNJUFZ-UHFFFAOYSA-N	240.068	-0.835	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787575	QSXHSEIERMRUSU-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247799300	BPGWHZZBAIFGRQ-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
CCC1(N)CC(NC(=O)C2CC(B(O)O)C2)C1	2247803223	ABOZPSMOZFGGRW-UHFFFAOYSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN2CCC1CC2	2247803474	BJFAPDOXRTTWSA-VHSXEESVSA-N	238.096	-0.844	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](CN)C1	2247809922	SKKBWXUBBXVLCT-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1ccc(B(O)O)o1	2247841300	HLBRHYLJRODDGK-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(OC(F)F)CC1	2247849506	AWHIMKCGYKPOEA-UHFFFAOYSA-N	247.006	-0.768	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2occc2B(O)O)[C@@H]1C	2247852845	AQNCCRZNORIQEU-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](OC(F)F)C1	2247855752	XRPATQGLNWOVDM-RRKCRQDMSA-N	249.022	-0.311	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1NC(=O)C1(B(O)O)CC1	2247857961	ZTUMJHWMCMMVBY-SFYZADRCSA-N	240.112	-0.517	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ccoc1B(O)O	2247866256	JCVPBQMRNCSRFT-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ccoc1B(O)O	2247869328	PNUCXIFSUVHTAG-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccncc2B(O)O)[C@@H]1C	2247873193	GKWONZBYGCKPFM-LYIWLLOFSA-N	234.064	-0.854	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CCN1C	2247878860	OIGPDBTULWJMSA-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
O=C(NC[C@@]1(F)CCOC1)C1(B(O)O)CCC1	2247878896	PVBHNFHJJBVQSK-VIFPVBQESA-N	245.059	-0.372	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@@H]1CNC2	2247887337	MWWHOGOFNUGRKM-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCOC2)[C@H]1C[C@H](B(O)O)C1	2247897297	QIOLVPACKNQTBX-KBIXCLLPSA-N	239.080	-0.465	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2249427464	GSMYYYYFGKYNBY-XVKPBYJWSA-N	235.048	-0.416	50	10	BBGE	
O=C(CC1C[C@@H]2C[C@H]2C1)NCCC#CB(O)O	2250004168	HLZZUCNQEGNXEB-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1occc1B(O)O	2255490620	KYMDPOAXYLMIJC-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
Cc1coc(NC(=O)c2cncc(B(O)O)c2)n1	2255522570	LMQBWSOUUHKTDS-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(CCc1ccccn1)C(=O)[C@H]1C[C@H]1B(O)O	2255569957	AWRROIZWEVYEHV-WDEREUQCSA-N	248.091	-0.055	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncccn1	2255773028	JVCFVDIXEAQWAJ-IWSPIJDZSA-N	249.079	-0.093	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)cc1C(=O)O	2256924269	MLGVEDPZYKXZHX-UHFFFAOYSA-N	248.987	-0.956	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H](C)C1CC1	2257491468	NDJBQBJOHQXCRS-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
Cn1c(C=CC(=O)Cl)cc(=O)n(C)c1=O	2296065515	CFOYUCFVXLKMGI-UHFFFAOYSA-N	228.635	-0.137	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166046	OVMGQTYBGLVWMF-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371266	FRCUPUAXESWWKB-KYXWUPHJSA-N	241.096	-0.364	50	10	BBGE	
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298374823	OZHPESYKAUHAIJ-XLPZGREQSA-N	243.068	-0.883	50	10	BBGE	
CC#CC(=O)Nc1ccc(OC)c(B(O)O)c1	2301525153	LVXATROJSCPPET-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1cc(C)ccc1B(O)O	2301606911	ZNFCPTIGQCMZRP-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
CN(C)CC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1	2303115289	RWFBKVHJIRVROM-SECBINFHSA-N	242.128	-0.351	50	10	BBGE	
OC[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303836359	LMKOFYGAUYTJLX-KNVOCYPGSA-N	240.043	-0.917	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1cccc(B(O)O)n1	2304080634	ACPIYJURHFZGPE-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
CC(C)NCCOc1ccc(B(O)O)cc1C#N	2317150706	IECGJOFNJQTURH-UHFFFAOYSA-N	248.091	-0.385	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317311511	QLPFALVWOKJBQB-NSHDSACASA-N	243.071	-0.219	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccc(B(O)O)c(C)c1	2319332119	PXHIBNQHEWXSHS-NSHDSACASA-N	245.087	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)n1nnc2ccccc21	6183401	QGIUVYZXULHHOK-ZCFIWIBFSA-N	205.221	-0.018	50	10	BBGE	
C[C@H]1CCC[C@@H](NC(=O)C(=O)NN)[C@@H]1C	36948207	QBAVTQQDTHFJNS-XLPZGREQSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)Cc1ccc(F)cc1	49829524	FOAVJFAALHYYLD-ZETCQYMHSA-N	239.250	-0.137	50	10	BBGE	
C[C@H](CC(=O)NN)NCc1ccccn1	58839402	NSYPZPJHTMSCKL-MRVPVSSYSA-N	208.265	-0.060	50	10	BBGE	
CC[C@H](CCl)NC(=O)n1nc(C)n(N)c1=O	82311340	XFHRJMGDVNLHTO-ZCFIWIBFSA-N	247.686	-0.358	50	10	BBGE	
NNC(=O)CCCCN1CCOCC1	82466052	AHDVHMXFFDNBJY-UHFFFAOYSA-N	201.270	-0.521	50	10	BBGE	
C[C@H](CO)CSC[C@@H]1CC[C@H](C(=O)NN)O1	85140657	HWQBEZFNXKRNRG-HRDYMLBCSA-N	248.348	-0.115	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)N(C)CC(N)=O	86549939	SHGXDPOZMPUPRQ-LURJTMIESA-N	242.728	-0.392	50	10	BBGE	
CC1(O)CCN(CCC(=O)NN)CC1	88023271	BEDYYAARKZJBDN-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](CO)N(C)Cc1csc(C(=O)NN)n1	125431146	RYXFUOBSYLUHNK-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
CC(C)(CN1CCC[C@](C)(O)C1)C(=O)NN	157537396	XIOKEYXBPPGYNS-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
O=CC1=CN=C2c3[nH]cnc3N=CN2[C@H]1O	166046983	LMOLKZUUEQBMFF-VIFPVBQESA-N	217.188	-0.454	50	10	BBGE	
O=C(CCBr)NC(CO)CO	168476409	PUUDFVRWKXRBNW-UHFFFAOYSA-N	226.070	-0.759	50	10	BBGE	
COC[C@H](Oc1cccnc1)C(=O)NN	232418264	LCBYMEFBFMGMHL-QMMMGPOBSA-N	211.221	-0.535	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCC1	232418909	LKKQWUVKTWOPCZ-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC1(C)C	232419545	XRCHLUKPSRQBEZ-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
COc1ccc([C@@H](N)C(=O)NN)cc1C	259055380	VYLPXRJSWLXOCN-SECBINFHSA-N	209.249	-0.007	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCO[C@H](C)C1	299999861	XQSNDYMLJGNPKN-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CN(C(=O)CBr)c1nnnn1C	306667957	FDHMFEXEHRZZHE-UHFFFAOYSA-N	234.057	-0.432	50	10	BBGE	
O=[N+]([O-])c1c(B(O)O)ccnc1Br	307106481	JVUYZJGXWPQHTR-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O=C/C(O)=C\NC(=O)N/C=C(/O)C=O	307633525	OEVZIFOFOVNWLK-IJIVKGSJSA-N	200.150	-0.518	50	10	BBGE	
O=C1NC[C@@H]2CCN[C@H]2[C@@H]1Br	307757163	KCXRICAXNQJCTA-HCWXCVPCSA-N	219.082	-0.142	50	10	BBGE	
OB(O)c1cc(F)cc([C@@H]2CCCNC2)c1	309198389	VYVUOFVQUHSTEM-MRVPVSSYSA-N	223.056	-0.028	50	10	BBGE	
NC(=O)NN=CC(=O)/C=C\N1CCCC1	382591554	YCGASXMMIVJFKH-QHASVRPPSA-N	210.237	-0.181	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@H](N)CCl)C(C)C	389737593	UWJOSQPZHAODPW-RQJHMYQMSA-N	236.699	-0.134	50	10	BBGE	
CC1=C(CC(N)=O)/C(=N\NC(N)=O)CC1	393688602	GONJGMCKQLFRHF-GHXNOFRVSA-N	210.237	-0.004	50	10	BBGE	
Nc1cc2sc(C(=O)O)cc2cc1B(O)O	396241342	LOHWBMLGOBBSMG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CO[C@H](C)C1	401506489	GUYWAHIDGINLHR-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@@H](C)CC(=O)NN	401924867	QJOZLIYTLNBRDY-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](CN1CCN(CCF)CC1)C(=O)NN	402760992	DVYGTBVNVXXQCG-VIFPVBQESA-N	232.303	-0.801	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(F)c(B(O)O)c1	404807691	AXCWWPNLCHMICG-MRXNPFEDSA-N	245.084	-0.009	50	10	BBGE	
CCOCC(=O)NCc1cc(B(O)O)cs1	404999971	KTPOOYTWPXUQME-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CCCC1	405094386	WIWYAKMJTFQZEA-UHFFFAOYSA-N	234.064	-0.006	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)NC1CCC1	405158490	ZIGKHPCHQJSYHZ-UHFFFAOYSA-N	235.052	-0.565	50	10	BBGE	
Cn1nnc(-c2nc(CCl)no2)n1	575467779	YVPPEWYLEZBHDD-UHFFFAOYSA-N	200.589	-0.001	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)CCC1=O	688934353	OOWQMFNMJFEUIN-UHFFFAOYSA-N	247.682	-0.375	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H](O)C1CC1	690156557	UDWUTDBEIVJWJX-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@H](O)C1	695086634	IZASJMMRACLREP-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
Cc1ccc(Cn2ccnn2)cc1B(O)O	699051216	QXGUUXZDOSZDEL-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@@H]1CO	708125077	SGHLDMFCDUQAMB-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)N1CCSC[C@@H]1CCO	708566800	QCTOFPSBLSEGIP-LURJTMIESA-N	205.283	-0.631	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)c1nnn(C)n1	716679364	OQQZIJGOZJBITR-LURJTMIESA-N	246.702	-0.891	50	10	BBGE	
NNC(=O)C(=O)NCc1nc2c(s1)CCC2	719397873	UNUWHRLCALVNHC-UHFFFAOYSA-N	240.288	-0.762	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CCNC1=O	725596362	KVKHENRXXLBIGF-NTSWFWBYSA-N	204.657	-0.134	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@@]1(C)CCCO1	755238454	TYCBTPOMESFOJU-SNVBAGLBSA-N	245.279	-0.468	50	10	BBGE	
C[C@H](Br)COC(=O)C(O)O	757207634	DVJRDQDVZAKDLO-VKHMYHEASA-N	213.027	-0.376	50	10	BBGE	
Cc1c(O)cc(O)c(C=NNC(=O)CO)c1O	782269082	SUPMHQDMAMHMIL-UHFFFAOYSA-N	240.215	-0.446	50	10	BBGE	
CC(=O)N1CCO[C@H](C(=O)NN(C)C2CC2)C1	823251027	NNQOUFPMLXIEIO-JTQLQIEISA-N	241.291	-0.641	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1cnsn1	894285456	WCKWAFJDFYUNAF-UHFFFAOYSA-N	230.224	-0.199	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H](C)CO1	910001179	OACDJFZVWSJMRX-RQJHMYQMSA-N	231.321	-0.121	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cncc2nc[nH]c12	1142534910	CMVBJOSNEZVLOO-UHFFFAOYSA-N	248.246	-0.126	50	10	BBGE	
O=C(NNc1ccncn1)c1cccc[n+]1[O-]	1298157614	LRRCHYGTHHEWLM-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cc[nH]c1	1653024368	GOJGRQJXQPXMPM-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
O[C@H](CCl)COCCn1cncn1	1882596004	PSOFCYQSHKYGIA-SSDOTTSWSA-N	205.645	-0.106	50	10	BBGE	
OC[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)C[C@@H]1O	1883565064	YZACSRNYZPVTCG-JBDRJPRFSA-N	205.685	-0.101	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C[C@H](Cl)C#N	1885616336	KEZWONZHHHHBRG-BWZBUEFSSA-N	218.684	-0.067	50	10	BBGE	
CCN(CCF)C[C@H]1C[C@@H]1C(=O)NN	1886422304	AYNMVLFXPMQVQI-SFYZADRCSA-N	203.261	-0.096	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC(=NNC(N)=O)C1	1887073571	VGNXZJOSWRXILL-ZCFIWIBFSA-N	219.266	-0.392	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)OC	1892435744	DFMFJKKLPGDXLP-UHFFFAOYSA-N	203.242	-0.573	50	10	BBGE	
COCCNCC(=O)NC[C@@H]1C[C@H]1Cl	1893107019	JSDUVIACOCYGIV-JGVFFNPUSA-N	220.700	-0.034	50	10	BBGE	
O=C(N[C@]1(CO)C[C@H](O)C1)[C@@H]1C[C@H]1Cl	1893763364	ZOLGWPIPASMODE-PULFBKJNSA-N	219.668	-0.384	50	10	BBGE	
C[C@H]([C@@H]1C[C@@H]2CCO[C@H]12)N(C)CC(=O)NN	1897915934	IOYDRTUMOVQIBA-HJGDQZAQSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](COCC1CCN(C)CC1)C(=O)NN	1901437832	BZKOZCLYKFCKLX-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2CCCC(=O)NN	1901880498	ZFGSQDJLBDBKBX-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1C[C@H]1CS(=O)(=O)N1CC[C@H](B(O)O)C1	1902514804	YDYNUNMNFOTDCV-VGMNWLOBSA-N	247.125	-0.479	50	10	BBGE	
CC[C@](C)(CN1C[C@H](F)[C@H](O)C1)C(=O)NN	1902715153	DQFSMIHDPQOVOQ-QXFUBDJGSA-N	233.287	-0.593	50	10	BBGE	
Cc1ccn(-c2ccc(B(O)O)cc2C#N)n1	1907408881	MMOBSHGAZIHQMD-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC[C@H]2CF)O1	1909805039	KLEWGDXAHUFHGQ-GUBZILKMSA-N	245.298	-0.042	50	10	BBGE	
CN(C)c1ccc(C=CC(=O)NCB(O)O)cc1	1911738805	WCNCLFYYLLYZBP-UHFFFAOYSA-N	248.091	-0.106	50	10	BBGE	
CC1CC(=O)N(C[C@H](C)C(=O)NN)C(=O)C1	1912237021	NOJOPCFXACDRMA-ZETCQYMHSA-N	227.264	-0.603	50	10	BBGE	
CCN(CCCC(=O)NN)S(=O)(=O)C1CC1	1913800585	LDDLUJDYXAKWTN-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
CC[S@](C)(=O)=N[C@H](C)CC(=O)NN	1913889327	VWRYMWUQQJMVBH-UANNBLPKSA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](CN1CC2(CCOC2)C1)C(=O)NN	1915583319	OGJWHBJQXNSBJV-QMMMGPOBSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H](O)C1	1927913651	LLXJEQIQYGJTPC-HRDYMLBCSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1COC[C@H]1OCCOCC(=O)NN	1928178226	DJYJZIMOJFDVCX-JGVFFNPUSA-N	218.253	-0.956	50	10	BBGE	
O=S(=O)(CCCCl)N1C[C@H](O)[C@H](F)C1	1929873004	VLLXGVHBXABCKD-RQJHMYQMSA-N	245.703	-0.040	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)CCC(=O)NN	1929908040	LHELXFYEBZGXDR-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(CCC(=O)NN)Cc1csnn1	1930601779	YGAFYOSMRJLCBX-UHFFFAOYSA-N	215.282	-0.650	50	10	BBGE	
CN(CC(CO)CO)C[C@@H](O)CCl	1930666235	ZRMMIWKNDAKPGZ-QMMMGPOBSA-N	211.689	-0.881	50	10	BBGE	
CC(C)C[C@H]1CN(CC(=O)NN)CCO1	1932355827	YAZPGJGRIHDXLB-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
CO[C@@H]1C(=O)N=C([C@@H](C)Cl)NC1=O	1933921460	ZYJSUFDEAQGDKW-GSVOUGTGSA-N	204.613	-0.316	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCOC1	1936533503	IFCLKRZKHPPAOP-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC(=O)NNC(=O)COC1CC(C(=O)O)C1	1936610768	NMMLMYHPCFCECF-UHFFFAOYSA-N	230.220	-0.967	50	10	BBGE	
CN(Cc1cnns1)CC1(C(=O)NN)CC1	1938246600	JSZBLFSBEIUNCV-UHFFFAOYSA-N	241.320	-0.260	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C(C)(C)C)C1	1938436653	OSWSRGMMRZYUAF-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)C[C@@H](C)C(=O)NN	1940292033	ROXYOMHASFORBK-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](N2CCC2)C1	1940896036	OKXJPJBTMAIJJK-QMMMGPOBSA-N	248.277	-0.608	50	10	BBGE	
COc1cc([C@H](N)[C@H](O)C#N)c(OC)cn1	1952975678	MFCLVWFQXYRJHC-XCBNKYQSSA-N	223.232	-0.017	50	10	BBGE	
OC[C@H](F)C1CN(C[C@H](O)CCl)C1	1953832529	MXJWGHSYJOZCBZ-SFYZADRCSA-N	211.664	-0.152	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](C(=O)NN)C(C)C	1959516346	FWDFMIKUPWVHRD-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
CC1CC(Oc2ncccc2B(O)O)C1	1961711418	DEXFVJXJZRJGHJ-UHFFFAOYSA-N	207.038	-0.061	50	10	BBGE	
C[C@H](CCS(C)(=O)=O)N1CC(=O)OC(=O)C1	1976872738	VROFYBJFIZOCMU-SSDOTTSWSA-N	249.288	-0.805	50	10	BBGE	
CCN(c1ncncc1B(O)O)C1CCC1	1981413861	LJQLKVSEXDWBOQ-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
CC(C)[C@@H](C)N(C)c1ncncc1B(O)O	1981415900	JRKWHZGBWQYEKH-MRVPVSSYSA-N	223.085	-0.363	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@H]2C1	1981425116	CGGXPXRPUWGJMS-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
CCC1CN(c2ncnc(C)c2B(O)O)C1	1981446876	FTALHYMPLSMKBB-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=CC[C@H]1CO	1983179394	NZENNHAPFGUKKD-UWVGGRQHSA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)CN1C[C@]2(F)CCC[C@@]2(CO)C1	1983343537	FFPOOJWDVOMFIA-VHSXEESVSA-N	231.271	-0.837	50	10	BBGE	
C[C@@H]1[C@H](N(C)CC(=O)NN)C2CCN1CC2	1989762366	WDPNEIZOFOOIHT-KCJUWKMLSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CC1	1990039340	OQKUCAHKOKCOII-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@@H]1[C@H](O)CO	1991650366	BQXPXHGQUNECAO-HTQZYQBOSA-N	247.678	-0.348	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@@]2(CO)C1	1992491380	VGGMUZSEWYYOER-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@]12CO[C@](COCC(F)F)(C1)C2	1993891133	MZZOEFNNEOLGBI-KYZUINATSA-N	236.218	-0.193	50	10	BBGE	
NNC(=O)CCCN1CCC([C@@H](F)CO)CC1	1999599594	UYCZSCQHNHJYQG-JTQLQIEISA-N	247.314	-0.201	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN(C2CCC2)CC1	2003612238	DQCJMWRHQHOOQP-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
OB(O)c1ccc(N2CCCC(F)(F)C2)nc1	2004915756	CSHOUPSRZMWIIZ-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
COC[C@@H](Oc1ncccc1B(O)O)C(C)C	2004953703	YCJWEDLXFFMINU-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
C[C@@H](COc1ccc(B(O)O)c(F)c1)N(C)C	2008380815	STBJMGIEIOAZCS-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2C[C@@]2(O)C1	2008872060	ZGBISGCRGTUPPH-VXNVDRBHSA-N	249.261	-0.542	50	10	BBGE	
C[C@@H](F)[C@H]1CCCN1c1ncc(B(O)O)cn1	2010589756	FBCKJDUHZWPWLY-VXNVDRBHSA-N	239.059	-0.517	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(OCC(C)C)C1	2019214118	XIFXAOXMPMHFAY-UHFFFAOYSA-N	243.307	-0.490	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnccn1	2020061143	ZCAZHGGQDKSHLY-MRVPVSSYSA-N	233.036	-0.693	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc2c(c1=O)CCC2	2028053478	VGPQXNYOKCLQNJ-APPZFPTMSA-N	248.286	-0.642	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccn2nccc2c1=O	2028055017	ZRHFMNVDMBHTOI-YUMQZZPRSA-N	247.258	-0.878	50	10	BBGE	
CCOC(=O)N1CCc2ccc(B(O)O)cc2C1	2032568265	JVMHZZZOFRAKEL-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
Cc1ocnc1CN(C)c1ccc(B(O)O)cn1	2052472508	MEBMUQDCHPEOPY-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
COC1CC2(C1)CN(c1ccc(B(O)O)cn1)C2	2052474348	ZJRGCHZNQUSHDK-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
Cc1ncncc1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2058462370	OXVJUNOYPRXGAQ-KOLCDFICSA-N	249.318	-0.157	50	10	BBGE	
COc1ccc(C#N)c(B(O)O)c1[N+](=O)[O-]	2060287633	UKZGEEVWDOBQSX-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCCCO1	2079008708	BHFKONUGEDLEIY-UHFFFAOYSA-N	249.075	-0.076	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	2079601623	HCNXWLSUHKJCAC-ONGXEEELSA-N	249.123	-0.115	50	10	BBGE	
OB(O)c1csc(CN2CCCOCC2)c1	2211072113	JKZXSAZPQYXLPQ-UHFFFAOYSA-N	241.121	-0.350	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H]2C[C@@H]2C1	2212272788	BHONDNZVDFFTQJ-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1CCC1	2212611114	VHUUPBIIVYIVGU-SSDOTTSWSA-N	221.069	-0.243	50	10	BBGE	
Cn1ccn(CC2(C(=O)NN)CCCC2)c1=O	2216864997	UJKDXMOECHJHRZ-UHFFFAOYSA-N	238.291	-0.263	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2217188158	KMIUMKUNCQWFQN-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)CC[C@H](N)C1	2217191994	GKXOEGPMTOAKDW-GXSJLCMTSA-N	236.080	-0.590	50	10	BBGE	
N#CC1CCN(c2ncccc2B(O)O)CC1	2217197812	RKHXUCNEWRNNAQ-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
CNCC[C@H](C)N(C)c1cc(B(O)O)ccn1	2217203490	VWRCDKNHTHYHPV-VIFPVBQESA-N	237.112	-0.804	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CO[C@H]2C[C@@H]1C2	2217204652	MMROYJSQJYTDAR-KHQFGBGNSA-N	234.064	-0.649	50	10	BBGE	
OC[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220058602	LYTNUUWIRATCID-LBPRGKRZSA-N	249.119	-0.429	50	10	BBGE	
N[C@@H]1[C@H]2CC[C@H]1N(Cc1cccc(B(O)O)c1)C2	2220068453	CIBLSIDEFALPIO-CYZMBNFOSA-N	246.119	-0.712	50	10	BBGE	
Cc1nc(N(C)[C@@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2222766262	AFKOZMDSZJMIMY-MYJAWHEDSA-N	247.107	-0.300	50	10	BBGE	
Cc1cnc(NC[C@@]23CNC[C@@H]2C3)cc1B(O)O	2223652265	HNJLDTRTUQBZTA-JOYOIKCWSA-N	247.107	-0.909	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](N)[C@H]2C)cc1B(O)O	2223652417	JBJMNJIDDCJGRJ-MWLCHTKSSA-N	249.123	-0.614	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CN[C@@H](C3)C2)nc1	2223669502	KUZLPMPAPQMUAW-LSJOCFKGSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC3(CC3)CO2)c1	2223669742	NWXKTPKTCXBTPB-SNVBAGLBSA-N	248.091	-0.258	50	10	BBGE	
OCC12CCC(CC1)N2c1ccc(B(O)O)cn1	2223672801	HOENULKAIZYRID-UHFFFAOYSA-N	248.091	-0.745	50	10	BBGE	
Cc1nc(CNc2ccc(B(O)O)cn2)oc1C	2223674062	NFLQLOHMBBAWHJ-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
CCN1CCC[C@@H]1CNc1cc(B(O)O)ccn1	2223675007	OOEWAHKQNNYYOO-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
CSCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2241475291	VJXHVJIFRJYEOR-KNVOCYPGSA-N	217.099	-0.281	50	10	BBGE	
O=S(=O)(CCCl)NC1CC(O)(CO)C1	2241590623	IXAOVRUAHNEBBD-UHFFFAOYSA-N	243.712	-0.970	50	10	BBGE	
CN(C)C(=O)N1CCC(B(O)O)CC1	2241737127	PZKILPRALUSBJW-UHFFFAOYSA-N	200.047	-0.393	50	10	BBGE	
O=C(Nc1ncon1)c1csc(B(O)O)c1	2243356033	AJVGTNHETIARPL-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(C#CB(O)O)NC1(CC(F)(F)F)CC1	2243357562	YMPSPHBHCCXTEN-UHFFFAOYSA-N	234.970	-0.397	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2243357650	ZLWYUEZBMLZFJV-ZETCQYMHSA-N	224.069	-0.435	50	10	BBGE	
C#CC(C)(C)NC(=O)c1occc1B(O)O	2243358777	KXUNFQJZEHKWEK-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccsc1B(O)O	2243359085	OPLFRALQCUHCNL-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
CCN(C(=O)c1occc1B(O)O)C1CC1	2243359471	UGKDXESXIVTKOD-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C=CCN(C)C(=O)c1nc(C)sc1B(O)O	2243359678	WEQOAKLIXXYKFR-UHFFFAOYSA-N	240.093	-0.611	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243363807	MSUMRSIDVQWCDC-QMMMGPOBSA-N	222.053	-0.244	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1(B(O)O)CC1	2243366261	ZMXFCPMDZSAGBJ-QMMMGPOBSA-N	226.085	-0.891	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1sc(C)cc1B(O)O	2243371683	HQBZGSUEJUFVLY-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)cs1	2243377555	BNYHRQMPSBEJJC-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCCC12CC2	2243400152	WOHGKKVQSZEFLR-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2F)oc1B(O)O	2243410900	JYECQANISHBMPC-PHDIDXHHSA-N	227.000	-0.892	50	10	BBGE	
O=C(N1C[C@@H]2COC[C@H]2C1)C1(B(O)O)CC1	2243411137	ONSIZBXQPZJKOM-HTQZYQBOSA-N	225.053	-0.902	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2243415274	REQIHQJBHTVFDP-MAUMQABQSA-N	227.069	-0.731	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1cc(B(O)O)co1	2244221269	LEUKGECWEDLPLH-IYSWYEEDSA-N	227.000	-0.953	50	10	BBGE	
CC1(OC[C@H]2CC[C@@H](C(=O)NN)O2)COC1	2245007415	ANVNJJDBSBPFOL-SFYZADRCSA-N	230.264	-0.671	50	10	BBGE	
CO[C@H](CCl)CNC(=O)CCn1cnnn1	2245981586	PCQUZCRXPIBEDJ-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC=C[C@@]1(C)CO	2246357155	YQRTXYLYOTUUJS-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
CN(C)NC(=O)N1CCOC(C)(C)[C@H]1C(=O)O	2246658480	ZBWBIUZPFPKWRC-SSDOTTSWSA-N	245.279	-0.263	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C#CB(O)O)OC1	2247743905	LCHBQFKJMXQFDZ-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2occc2B(O)O)C1	2247754202	LCSKRBSZHQZNIM-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CC[C@@H](C)[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782497	VOTUNHDIQXEEBS-RQJHMYQMSA-N	239.084	-0.746	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786658	DUUMEIACZYWWTC-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
NC1CCC(NC(=O)C2CC(B(O)O)C2)CC1	2247797695	MFBQXFTUEMGANK-UHFFFAOYSA-N	240.112	-0.375	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCOC2)C1CC(B(O)O)C1	2247798131	QIOLVPACKNQTBX-QAEOJHPCSA-N	239.080	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@]2(CCCO2)C1	2247798959	YOMHOPDQUPABOB-FXPVBKGRSA-N	239.080	-0.369	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247848873	RMGPXYLIJLJBOC-QMMMGPOBSA-N	237.064	-0.122	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COC[C@H]2C1	2247859822	PXOSBQPONXQVOB-KYXWUPHJSA-N	239.080	-0.656	50	10	BBGE	
C#CCN(CC#N)C(=O)c1csc(B(O)O)c1	2247868503	GLZMDVYSKKAJQA-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
N[C@H]1CCC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247878923	QGCIPDOJMCFQDO-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
CC[C@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247894433	GUZLLUVOCWFWLP-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C[C@]1(CCO)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899935	RPKKBWOZFWWNAE-IQJOONFLSA-N	241.096	-0.530	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1O	2247900071	SPWUWNZMSHGATH-LURQLKTLSA-N	241.096	-0.485	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CCOC1	2247971052	BIXJIENCLCIZCJ-UHFFFAOYSA-N	236.036	-0.812	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)CC1COC1	2249014068	ORNOWTCWTDXHAW-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1cc(B(O)O)co1	2249441062	SGLVNNPDYNTURV-HQJQHLMTSA-N	235.048	-0.368	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(C)C)C[C@@H](C)O	2250516094	FUSSCOJUYKJZBB-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2250978873	YEWUXASDFURURV-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@@H]2C[C@@H]21	2255453491	QMDHRBMHESNTPG-SCZZXKLOSA-N	249.075	-0.108	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)ccc1OC	2255497855	ISVLCHDDFPBWRY-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cccc(F)c1B(O)O	2255499431	ACQNHXMKHBHOFK-QMMMGPOBSA-N	247.034	-0.647	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@@H]1CCO1	2255511617	MBEMYYRTXLNCJF-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
Cc1cc(C(=O)NOCC2CC2)ccc1B(O)O	2255513650	VIDDQAJSHUJVKC-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N(C1CC1)C1CC1	2255517374	CHMMPCMKKFUPFP-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1c[nH]nc1B(O)O	2255551602	ZQSYXXGZVFBVBO-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255671593	UCIZXXQGVOAFHH-QMMMGPOBSA-N	247.063	-0.930	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ncccc1B(O)O	2255715061	ZXWILXJIBKELTI-BRPSZJMVSA-N	246.075	-0.710	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1cncc(B(O)O)c1)C2	2255734473	BILLWQIWQQQUQK-SKDRFNHKSA-N	246.075	-0.757	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1cncc(B(O)O)c1	2255736118	GXOFTIHREWSIDU-UWVGGRQHSA-N	246.075	-0.853	50	10	BBGE	
O=C(N[C@@H]1CCn2ccnc2C1)C1(B(O)O)CC1	2255737563	GLKSNFXJVYYEBU-MRVPVSSYSA-N	249.079	-0.679	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2c[nH]nc2B(O)O)C1	2255792086	AWVUIIUKZFVBIG-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1cc(B(O)O)co1	2258144474	WSSXQTDFUXBZDN-SNVBAGLBSA-N	249.075	-0.263	50	10	BBGE	
Cc1cc(OC[C@]23C[C@H](CO2)C3)ncc1B(O)O	2260641265	KVXVZPWJGCZYBL-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2C[C@@H]2C1=O	2298165938	GYODUECDYUGSGK-RGOKHQFPSA-N	237.303	-0.129	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12	2298367366	CECWLGVDXYASPK-FOKACVKASA-N	233.076	-0.447	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375270	CHMMVPGBZOIIII-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](C#N)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298377666	YTPXUNMFEHJLBZ-FXBDTBDDSA-N	236.080	0.000	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298463466	DGLGGSIOJQUKEM-ODANAHCNSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2299257316	ISYUDZKORIIVDV-OOJXKGFFSA-N	241.052	-0.924	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H](N)C1	2301346799	UWMMKOJKABWNRT-AOOOYVTPSA-N	231.064	-0.860	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(CC(F)(F)C(=O)NN)C2	2301491920	JWRHPYWBATYPMB-BHNWBGBOSA-N	249.261	-0.543	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2302018482	QRDRBTLWUIDIST-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
COC[C@@H](OCc1cccc(C)n1)C(=O)NN	2302796313	QUWZQRFZJPPQEB-SNVBAGLBSA-N	239.275	-0.088	50	10	BBGE	
CC(C)[C@H](CN)Nc1cc(B(O)O)c(F)cn1	2303834669	JVEXLJWMNKMNMA-VIFPVBQESA-N	241.075	-0.704	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C(C)C	2304249409	MMKUFRUJZHBQMO-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317168844	ZHXTXROUUKXSFT-PRHODGIISA-N	246.075	-0.315	50	10	BBGE	
CC[C@H]1C[C@@H]1CC(=O)Nc1ncc(B(O)O)cn1	2320396511	INISMAPLHYRIKG-JGVFFNPUSA-N	249.079	-0.469	50	10	BBGE	
O=C(O)[C@@H]1CCC(=O)N1C(=O)CCl	6855083	XXKKAVUZBPGUPL-BYPYZUCNSA-N	205.597	-0.173	50	10	BBGE	
CC(=O)[C@H]1C=NC(C#N)=C(C(N)=O)N=C1C	38952618	MOMOFYBLLJCHEX-ZETCQYMHSA-N	218.216	-0.043	50	10	BBGE	
CCOC(=O)NC(=S)NNC(=O)CC#N	39475007	NREZCMHJIWBCMH-UHFFFAOYSA-N	230.249	-0.448	50	10	BBGE	
CCN(CCCC(=O)NN)C1CCNCC1	82470781	WCHHSSFCJHMPAR-UHFFFAOYSA-N	228.340	-0.170	50	10	BBGE	
CC(C)(Cn1cnccc1=O)C(=O)NN	86598215	WKAPQIZPAZAKDR-UHFFFAOYSA-N	210.237	-0.741	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN2CCC[C@@H]2C1	110584492	YAJWNACZRXLTOB-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC(=O)N1CCNC[C@@H]1C(=O)CBr	129079128	IYJRDYKTZVROFK-SSDOTTSWSA-N	249.108	-0.229	50	10	BBGE	
CN(CCS(C)(=O)=O)C[C@@H](Cl)C(=O)O	132839268	IJJGIENFFXXYGF-ZCFIWIBFSA-N	243.712	-0.345	50	10	BBGE	
N[C@H](CO)[C@H](O)CI	196475529	SCOHCDDDVPSGMT-QWWZWVQMSA-N	231.033	-0.898	50	10	BBGE	
OB(O)c1ccccc1O[C@H]1CCOC1	203531751	WKKJRQJUUKVSCO-QMMMGPOBSA-N	208.022	-0.466	50	10	BBGE	
Cn1cc(CCOc2cccc(B(O)O)c2)cn1	230766868	UOWDBHKCYKZRNC-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)OC)C(=O)NN	238270791	BEWPHMZUKLVOSJ-PHDIDXHHSA-N	203.242	-0.253	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CC[C@H]1O	253203315	VDAYTFDQGKFVKC-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CNNC(=O)C[C@H](N)c1ccc2c(c1)CC(=O)N2	259026719	JGJAJNINLKCFSQ-VIFPVBQESA-N	248.286	-0.178	50	10	BBGE	
CCN(CCO)Cc1ncccc1C(=O)NN	302442690	WNTZFTPUBGMYDY-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
C=C(Br)CNC(=O)NNC(N)=O	306272066	WUYOODQAJNZIOL-UHFFFAOYSA-N	237.057	-0.223	50	10	BBGE	
O[C@H]([C@H]1CO1)[C@H]1O[C@H]1CBr	306847430	JWAUKJBDJBETJU-KCDKBNATSA-N	209.039	-0.092	50	10	BBGE	
O=[N+]([O-])c1c(F)ccc(F)c1B(O)O	307429602	JBMPQTZMVPKNCK-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(CCCCC(=O)NN)C1	310104254	CKBNYUDHIWXFFZ-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](O)CC1	378798167	RUCQUKIMGHGPBY-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NCCCNC(=O)NC(=O)CCl	383491452	SSLAEMHUCNZARB-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
CCOC(=O)/C(C#N)=C/c1ccc(B(O)O)cc1	385022957	DFUODULZYWZKBQ-JXMROGBWSA-N	245.043	-0.164	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CO)[C@@H]1C	385687219	OPAYAMOWUDYWIJ-XKNYDFJKSA-N	229.324	-0.296	50	10	BBGE	
OCc1cc2cc(B(O)O)cc(O)c2s1	396347688	SRYBIESDIWXSFQ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC(=O)N(C)Cc1cc(B(O)O)cs1	405177765	CTRUIPDHRWLABI-UHFFFAOYSA-N	229.066	-0.374	50	10	BBGE	
C=CC[C@H](CO)NC(=O)c1ccc(B(O)O)cc1	584985826	SFDYRAVSQSAKRR-LLVKDONJSA-N	249.075	-0.967	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C[C@@H](C)[C@@H]1O	688122351	PJDDPNCCWZFTLL-QCBRBAQYSA-N	229.324	-0.296	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(=O)N[C@@H](C)C1	695087311	MTWGLDHMCQZXOJ-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnccn1	700075335	OMMKERCAHVVFLE-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
CN(C)C1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703438195	GUAALPKLUHRYIB-QLEHZGMVSA-N	238.287	-0.005	50	10	BBGE	
C[C@H]1CCN[C@H]1C(=O)N1CCC(O)(C#N)CC1	709384205	GLYVEESYJWAVIO-VHSXEESVSA-N	237.303	-0.139	50	10	BBGE	
CCCC1(O)CCN(CC(=O)NN)CC1	710231799	GXBJMKYHRZFLRQ-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CC(C(N)=O)C1	716707915	VNPHDTFYRQTHLA-KXGSVCODSA-N	204.657	-0.006	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)NN)CCO1	721873346	GBPXLKJYMSBJMX-SFYZADRCSA-N	243.307	-0.314	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CCN(C)C1	732911710	GOPUZTPMPBLTRY-SSDOTTSWSA-N	214.269	-0.712	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	756765718	JXBQCXPUOQSLBP-GJMOJQLCSA-N	212.249	-0.031	50	10	BBGE	
COC(=O)CNC(=O)NN=C1CCCOC1	779823142	MRZLZDCASWFAPC-UHFFFAOYSA-N	229.236	-0.375	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NN(C)[C@H](C)CO	823907689	OQPXUXDZAZSHKW-PSASIEDQSA-N	243.307	-0.659	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NN(C)C(N)=O)C1	831519580	OPRNPMKHMNXFCH-RQJHMYQMSA-N	215.253	-0.157	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(C)C[C@H](O)CN1C	908115170	NKOGXDNDQKWYPE-ONGXEEELSA-N	245.323	-0.949	50	10	BBGE	
CNc1cnc(C(=O)NN(C)C[C@H](C)O)cn1	910148185	YBEOMBLFTHHUHI-ZETCQYMHSA-N	239.279	-0.524	50	10	BBGE	
ClCCS[C@@H]1NN[C@@H]2NCNN21	953055346	CVSCHVKYCVOHOM-CRCLSJGQSA-N	209.706	-0.999	50	10	BBGE	
CCNC(=O)N(C)NC(=O)/C=C/C(=O)N(C)C	1152107087	SNDJDFLNZUVTJR-VOTSOKGWSA-N	242.279	-0.677	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)NN)CS1(=O)=O	1327500704	NRACFFJKNSZDRV-WDSKDSINSA-N	221.282	-0.875	50	10	BBGE	
CON(C)C(=O)[C@H](C)NC(=O)CCl	1348501303	BTVYOQCAJZOQKA-YFKPBYRVSA-N	208.645	-0.250	50	10	BBGE	
COc1nc(C(=O)NN(C)C[C@H](C)O)co1	1350778522	MQWJWQVBWAVYBD-LURJTMIESA-N	229.236	-0.359	50	10	BBGE	
CCNC(=O)NNC(=O)CC1(O)CCOCC1	1353991699	ZXXOEBZTISRJQT-UHFFFAOYSA-N	245.279	-0.732	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(OC)cnc1F	1464434999	UWOKEQDHKDORRC-UHFFFAOYSA-N	242.210	-0.197	50	10	BBGE	
C=CCOCC(=O)NNC(=O)C1CCOCC1	1533319768	DMEZAZAVMNJQGD-UHFFFAOYSA-N	242.275	-0.237	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ncncc1F	1628645497	KHJPSFUQVHQQQB-LURJTMIESA-N	244.226	-0.809	50	10	BBGE	
CNC(=O)CCCC(=O)NNc1ccncn1	1641048439	OZPMMEFPTCYUAS-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
CC1(CONC(=O)c2ccc(B(O)O)cc2)CC1	1875783282	XMXLJTWGOMIONV-UHFFFAOYSA-N	249.075	-0.172	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@H]1C[C@H]1Br	1883531941	ZTEWJRMRDOGPAQ-NTSWFWBYSA-N	246.060	-0.026	50	10	BBGE	
C[C@H](OC1CC(N(C)C)C1)C(=O)NN	1886161045	ZIZBJPSNULEBQA-KKMMWDRVSA-N	201.270	-0.526	50	10	BBGE	
CN1CCN(CCNOCCCl)CC1	1888307437	CAGNGWLCNRMDHT-UHFFFAOYSA-N	221.732	-0.006	50	10	BBGE	
CC[C@@](C)(N)C(=O)NN(C)S(C)(=O)=O	1888561732	IIOCBLYCBMPDAS-SSDOTTSWSA-N	223.298	-0.964	50	10	BBGE	
C[C@@H](CO[C@@H]1CCN(C)C1)C(=O)NN	1888720774	GCEFLJWWXHEPAC-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NC[C@H]1C[C@H]1Cl	1893106700	HLKAHGCMGBRKEK-HSUXUTPPSA-N	220.656	-0.468	50	10	BBGE	
C#CC[C@@H](CO)NC(=O)C=CC(=O)Cl	1893409785	ALICNCOXEYDOTQ-ZETCQYMHSA-N	215.636	-0.192	50	10	BBGE	
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893460392	FGZFLMWRKPJGDA-NGJCXOISSA-N	221.640	-0.171	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)[C@H]1C[C@@H]1B(O)O	1893580403	LBIBEORNRDVRER-AXMZGBSTSA-N	201.006	-0.534	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@@H](O)[C@H]1C2	1895517247	VGFCCMLFYQORKL-JDDHQFAOSA-N	225.292	-0.933	50	10	BBGE	
N#CCCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	1900622629	XDFAHIVVXSERKO-DTWKUNHWSA-N	222.053	-0.389	50	10	BBGE	
O=Cc1ccc(N2CCCC2)cc1B(O)O	1901242266	IWKNEAQBCPCCIU-UHFFFAOYSA-N	219.049	-0.221	50	10	BBGE	
CCC1(O)CN([C@@H](C)CCCC(=O)NN)C1	1901762771	MLGDIPNJXBVLKC-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)N(C)C)N1CC[C@@](C)(B(O)O)C1	1902541532	PPSJCTMZVVUOHI-PSASIEDQSA-N	228.101	-0.598	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2ncccn2)C1	1902541851	SPRHZUVIOANEIA-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
COC[C@@H](C)N(C)Cc1nc(B(O)O)cs1	1902636746	BQKOIHPXFQKCEX-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
CN(CC(F)F)c1cc(B(O)O)c(F)cn1	1903009974	KHNWJDSTKLPRQP-UHFFFAOYSA-N	233.986	-0.398	50	10	BBGE	
C[C@H]1NC[C@]1(C(=O)O)N1CC=C(C#N)CC1	1903849974	FEBQJTCDDOZVLI-KCJUWKMLSA-N	221.260	-0.043	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(C)COC1	1907525899	WWZGYXIAVRUWJM-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C[C@@H]1C[C@@H]1F	1908966833	ZNLGPUVJECBIAG-AATLWQCWSA-N	245.298	-0.186	50	10	BBGE	
Cc1cc(=O)n(C[C@@H](C)C(=O)NN)cn1	1912236821	IVLFIIIAVFGVBP-ZCFIWIBFSA-N	210.237	-0.822	50	10	BBGE	
C=CCCC(=O)Nc1ncccc1B(O)O	1913622368	WUUGEUNLQJRNGQ-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CCCN(CCC(=O)NN)S(=O)(=O)CC	1913826188	TWHGVGAWPJMARW-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N=S1(=O)CCOCC1	1913860916	GKELVYLGDAOXMF-JGVFFNPUSA-N	249.336	-0.501	50	10	BBGE	
O=C1CC[C@H](O)CN1C[C@@H](O)CCl	1914099957	DYEKKQVHTUKXFB-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
C[C@@H](CN1CCC2(COC2)C1)C(=O)NN	1915567110	HDWZFPXEDISOAF-QMMMGPOBSA-N	213.281	-0.665	50	10	BBGE	
C[C@H](O)CCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927913536	KFLOUCPNPCDNFU-CIUDSAMLSA-N	215.297	-0.685	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)C(C)C	1930599304	SGAYVKMQPSNWMX-RXMQYKEDSA-N	205.283	-0.478	50	10	BBGE	
NNC(=O)CN1C[C@@H](O)CC2(CCC2)C1	1931397718	KOZMPBJRCAPGFV-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
C[C@@H](Oc1cccn(C)c1=O)C(=O)NN	1935108558	BQWWXOHIFFUOCI-ZCFIWIBFSA-N	211.221	-0.858	50	10	BBGE	
CN1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1936091088	NBBKZTKCKPBYAH-VHSXEESVSA-N	226.324	-0.894	50	10	BBGE	
O=C1CN(C[C@H]2CC(F)(F)CO2)CC(=O)O1	1936170003	UJBXNMKQMDFFDO-ZCFIWIBFSA-N	235.186	-0.204	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCCC[C@H]21	1936529490	LXQNZKYAKBIUSU-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)COCCN1CCC2(CCC2)C1	1936529907	OONSCAGXMIABDJ-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1938502754	ZQBBKSMHBOOZMY-WHFBIAKZSA-N	239.197	-0.367	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2CC[C@@H](O2)C1=O	1941091040	UHURDFCRYCRDCH-LURQLKTLSA-N	239.275	-0.998	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC12CCN(C)CC2	1941644968	XLQDPAFJYOQNOH-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)[C@@H](C)CO1	1941774220	GYXBULWAZWLGFE-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(C)NC(=O)NC[C@@H](C(=O)O)[C@@H]1CCOC1	1944996103	NXKBVRXZUIKYFX-HTQZYQBOSA-N	245.279	-0.501	50	10	BBGE	
CS(=O)(=O)c1ncc(C[C@H](O)C#N)c(O)n1	1951975080	ZWHUZOXMKYYALE-LURJTMIESA-N	243.244	-0.987	50	10	BBGE	
O=C(CBr)COC1CNC1	1953156869	WZYYHIIMXDSSSV-UHFFFAOYSA-N	208.055	-0.061	50	10	BBGE	
O=C(Cl)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21	1953758089	IONQOYHEEBLBRA-SCDXWVJYSA-N	209.654	-0.022	50	10	BBGE	
CC(C)N(C)c1nc(B(O)O)cs1	1954092288	BQXADRNQWFHGOJ-UHFFFAOYSA-N	200.072	-0.333	50	10	BBGE	
C[C@H](Cl)CC(=O)N(CCO)CCO	1954240965	ZFAGLYQDVKATFQ-ZETCQYMHSA-N	209.673	-0.183	50	10	BBGE	
CCc1ocnc1C(=O)NNC(N)=S	1955508106	WDYCIZAFHGSHRG-UHFFFAOYSA-N	214.250	-0.285	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)CCO1	1956251437	FHOITKVHFKGWRR-VIFPVBQESA-N	223.700	-0.065	50	10	BBGE	
CCN(C(=O)NN)[C@H]1CCCNC1=O	1956858051	JYBFOABGRUAPHO-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@@H]32)n1	1956963824	DFVPSQQCIQTMEQ-WDSKDSINSA-N	210.067	-0.579	50	10	BBGE	
O=C1C[C@@H]2CCN(C[C@H](O)CCl)C[C@H]2N1	1960156431	SIUDEQWMIBIFDY-DJLDLDEBSA-N	232.711	-0.204	50	10	BBGE	
NNC(=O)CCCN1CC(O)(C(F)F)C1	1961595230	SLWGEOBOPVWTBD-UHFFFAOYSA-N	223.223	-0.932	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1C[C@H]1C	1961694176	KSWSDDLEJIPVAI-MUWHJKNJSA-N	207.038	-0.143	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC2CC1C2	1964997001	QOVGXLGSJQAEMJ-UHFFFAOYSA-N	231.060	-0.399	50	10	BBGE	
Cc1cccnc1CN(C)C(=O)C(=O)NN	1977295759	FCGKEVQXMASJEC-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC3(CC3)CO2)n1	1979362649	VNPXNLYBRWSJPJ-QMMMGPOBSA-N	222.053	-0.868	50	10	BBGE	
CN(C)NC(=O)NC1C[C@@H]2C(C(=O)O)[C@H]2C1	1980538556	VIMIHXCIZWRTHL-BWWPFHEWSA-N	227.264	-0.129	50	10	BBGE	
Cc1nc(N(C)CC(F)F)ccc1B(O)O	1981469253	PIKFPALZQFUEBU-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)c1nc(B(O)O)cs1	1981471400	JBZCFBDMHSJCIH-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
NNC(=O)c1sncc1CN1CC[C@@H]1CO	1981734770	UJAQYCRAMJJHND-SSDOTTSWSA-N	242.304	-0.687	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ncn(C)n1	1984080436	YZXNSPDXLXXYIL-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
CCN(CCC(F)(F)C(=O)NN)C[C@@H](C)O	1984133145	YYBNEJJMQHMPNA-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1COC2CC1C2	1986053138	KKIBWSWLBZZGHJ-UDNWOFFPSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC(CO)C2)C1	1987153500	HNVKCDGMSARQEG-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
O=C(NNCCO)c1ccnc2[nH]cnc12	1989794729	BDYUBDDMHXTVNG-UHFFFAOYSA-N	221.220	-0.815	50	10	BBGE	
CCN(Cc1cnnn1C)[C@H](C)C(=O)NN	1991246085	VKMADJFSHAKZBW-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
COC(C)(C)C(=O)N[C@H]1CCC=C1B(O)O	1991330299	LMDYCAGUZZKVCO-QMMMGPOBSA-N	227.069	-0.372	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1991704070	OQDDJLDCQPBEFR-KFWVSDAYSA-N	245.662	-0.740	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCSCC1	1992154445	YNDYIVORVFHTHO-VIFPVBQESA-N	241.121	-0.349	50	10	BBGE	
CCN(Cc1cnn(C)c1)C[C@@H](C)C(=O)NN	2003788892	LQRWHWYNHZJALE-SECBINFHSA-N	239.323	-0.132	50	10	BBGE	
OB(O)c1ccccc1CN1CCO[C@H]2C[C@H]21	2004486096	HNLRZBRAIQARBE-NEPJUHHUSA-N	233.076	-0.661	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)[C@H](C)CO1	2004935920	RTJIWIMITHMAPG-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CCOC[C@@H](C)Oc1ncc(C)cc1B(O)O	2004935960	SHYSTSVQURVVNS-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2CC[C@@H]2C1	2005018696	XGOFRSMONJSOCR-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
CC[C@]1(C)CCN1c1ncnc(C)c1B(O)O	2007185907	QNUPNXWBKXQQIV-LLVKDONJSA-N	235.096	-0.156	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1cncnc1	2009062578	KHXTWHKTYXOUHK-RKDXNWHRSA-N	233.227	-0.107	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCC(=O)NC1	2012017867	VXOHCKVAYBCYPZ-DJLDLDEBSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012897340	HRGLEQNQIVCIHU-JGPRNRPPSA-N	241.335	-0.151	50	10	BBGE	
Cc1ncnc(C)c1Cn1ccc(B(O)O)n1	2014166115	KZNJLFMHSCJOMF-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
OB(O)c1ccccc1OCC1[C@H]2COC[C@H]12	2015138555	SOEDOUOUQNDXTH-IUCAKERBSA-N	234.060	-0.362	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C[C@H]1C[C@@H]1C(=O)NN	2025475132	CIQJEGCWJDAWCP-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cnco1	2031811641	VAZKOVPEAYMELW-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NNCCO)c1ccc(-n2ccnc2)nc1	2031837683	WDORQBXFEKWADZ-UHFFFAOYSA-N	247.258	-0.506	50	10	BBGE	
CN(Cc1cccn1C)c1ncncc1B(O)O	2052470963	JVKIJGCQNSRGHB-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]3CNC[C@@H]32)CC1	2054043692	FCRRXYPIPDFZOH-AXFHLTTASA-N	249.314	-0.281	50	10	BBGE	
OB(O)c1cncc(OC[C@]23CCOC[C@@H]2C3)c1	2074096431	YQGYOGZADPLNHN-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
CS(=O)(=O)N1CC(CNC(=O)F)C1	2209107344	WIDZOAJBFFJOQH-UHFFFAOYSA-N	210.230	-0.443	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@]12CNC[C@@H]1C2	2210021406	OMJBNISMPNKXCP-ISEUCOEESA-N	214.652	-0.214	50	10	BBGE	
CNC(=O)CCSC[C@H]1CC[C@H]1C(=O)NN	2211839551	WDRBAVZTVHBIBK-HTQZYQBOSA-N	245.348	-0.128	50	10	BBGE	
OB(O)c1cccnc1N1CC=C[C@@H]1CF	2212615729	UAHJXVRMYQEBEH-MRVPVSSYSA-N	222.028	-0.524	50	10	BBGE	
C=CCCCCN(C)c1ncc(B(O)O)cn1	2217174131	WHGRVFDFYHASDT-UHFFFAOYSA-N	235.096	-0.051	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCOC1	2217176011	QIWKYILCGHBHTA-SECBINFHSA-N	236.080	-0.400	50	10	BBGE	
C#C[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217178076	RDQRBSFCUOSEER-KOLCDFICSA-N	230.076	-0.025	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1Cc1cccc(B(O)O)c1	2220064630	XGWBNGPIHSHNNY-CMPLNLGQSA-N	249.119	-0.431	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1Nc1ccc(B(O)O)cn1	2223640529	LWLBSRLKDOXGPO-WCBMZHEXSA-N	249.123	-0.453	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H]2N(C)C)cc1B(O)O	2223645252	USHDQHXVYFATJH-MNOVXSKESA-N	249.123	-0.426	50	10	BBGE	
Cn1nccc1CCNc1ncccc1B(O)O	2223666185	KPNRDFXWONGLDA-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C(F)(F)F	2241554788	HIWFKCNJZRXBIZ-RXMQYKEDSA-N	222.959	-0.234	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ncc(B(O)O)s1	2242811540	XHWLRNMJYCQPAQ-YFKPBYRVSA-N	241.081	-0.551	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)oc1C	2243348072	SORSYITWEOJTTN-UHFFFAOYSA-N	227.025	-0.709	50	10	BBGE	
COC[C@H](C)NC(=O)c1cscc1B(O)O	2243348229	VQRMOAMHHVETJK-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
O=C(NOCC1CC1)c1sccc1B(O)O	2243375920	ASEDRLFUBMVGNS-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
CCOC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243382005	KFCSNYYNGVOGLL-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CCC[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382565	QCNFJMNWEXHTFV-HRDYMLBCSA-N	229.085	-0.483	50	10	BBGE	
CCCCCNC(=O)c1sncc1B(O)O	2243385065	BUQSSKSJHVLGBX-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
CN(C[C@H]1CCN1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243404617	QZMFXDWBOSJGJH-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1ncccn1	2243410601	DXTUTIKMDDJLDW-UHFFFAOYSA-N	221.025	-0.554	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243415873	DNMPUBWROXWWGJ-KZVJFYERSA-N	226.085	-0.765	50	10	BBGE	
C#CCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243426732	KYFBRAQSHGTGRU-MGCOHNPYSA-N	221.065	-0.279	50	10	BBGE	
O=C(NCCC#CB(O)O)N1CCCCC1	2244534735	NEMNREHENRWLNH-UHFFFAOYSA-N	224.069	-0.413	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)C[C@H](C)O	2244867284	KOBIRICOVVAGMA-QMMMGPOBSA-N	231.296	-0.754	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C1(C)CC1	2247735727	OKFZFWBQMYEGNB-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	2247737905	LOIWNQVQFQERBK-DTIDVZRVSA-N	233.076	-0.494	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247746537	AIZHLFNWSKSWIM-IONNQARKSA-N	236.080	-0.387	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750204	GDVAJVLQLVYPJI-KWQFWETISA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](CO)C1)C1(B(O)O)CC1	2247753395	GLCQWCMGOMDOFZ-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H](NC(=O)c1ncccc1B(O)O)C1CC1	2247770538	PQVKDXVDYRCZGM-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
Cc1cc(NC(=O)C2CC(B(O)O)C2)ncn1	2247798783	XDTDXYALTIWXDI-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)C1CC(B(O)O)C1	2247803673	CIUIINGDDPKWEV-HACHORDNSA-N	241.096	-0.389	50	10	BBGE	
Cc1nnccc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247808527	LLJMJJIFZNTVJQ-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
CC(C)[C@H](C)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247886223	ZIXVBPNFDOPOHM-ZETCQYMHSA-N	239.084	-0.794	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2OCC[C@@H]2C1	2247894619	IZEKEENCEAHJLY-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)CN	2247898849	IDAFCFFTWAHMLQ-SDNRWEOFSA-N	240.112	-0.707	50	10	BBGE	
O=C(N[C@@H](CCO)C1CC1)C1CC(B(O)O)C1	2247911180	USVOQZURSMQLEO-RTBKNWGFSA-N	241.096	-0.483	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2248587922	WKXBCSWFIWBISR-KNVOCYPGSA-N	241.052	-0.637	50	10	BBGE	
CCN(C[C@H](C)C(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248589910	WRSKSQRXCXFYKP-RNJXMRFFSA-N	243.068	-0.582	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C1CCC1	2255452451	JCUREYWFIPZAOW-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255453988	UIUASSVKUYTZJK-SKDRFNHKSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)[C@@H]2C[C@@H]2C)n1	2255481341	GHWIHVYEWKTBGO-OIBJUYFYSA-N	248.091	-0.450	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1ncncc1B(O)O	2255499881	IXCYFBRNVQFJQH-UHFFFAOYSA-N	249.079	-0.759	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2CCC[C@H]21	2255508111	IOBXAYYZGAEYSE-PSASIEDQSA-N	248.091	-0.671	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)c(C)c1	2255508814	DLKBMQZLCPDJLR-LLVKDONJSA-N	245.087	-0.019	50	10	BBGE	
N[C@@H]1CN(C(=O)C#CB(O)O)Cc2ccccc21	2255670319	XKQTXKWGWDPDST-LLVKDONJSA-N	244.059	-0.956	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1O	2255954330	WZPZXKGFGBHCGG-QMMMGPOBSA-N	247.059	-0.929	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]3CO[C@H]2C3)cc1B(O)O	2258401460	KFDHTWXEIOCWSH-MIMYLULJSA-N	248.091	-0.341	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1F	2298164568	UAMZIQFTAMQKEF-QEYWKRMJSA-N	245.298	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2C[C@]2(O)C1	2298165422	AAULTEQDCJKYHU-XNDJQWLSSA-N	239.319	-0.541	50	10	BBGE	
CC1(C)[C@H](O)CC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368695	SPWUWNZMSHGATH-BZNPZCIMSA-N	241.096	-0.485	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CCO1	2298376202	MXLSTJOYIDBHBB-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CC[C@]12CCCO2)[C@@H]1C[C@H]1B(O)O	2298376385	UPSDQAITGDVIIC-SDNRWEOFSA-N	239.080	-0.323	50	10	BBGE	
COC1CC2(C1)C[C@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376503	ZDAHQEMJJAMULF-VYGPFJBRSA-N	239.080	-0.467	50	10	BBGE	
NCC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377621	YCETUPUBXAIJCN-SGIHWFKDSA-N	240.112	-0.517	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463417	BZHIAKNOUHCCLI-LXGUWJNJSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CCCC(=O)NN)OCCn1cncn1	2301987020	RKLMTQVTOXWRJW-VIFPVBQESA-N	241.295	-0.157	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848121	UGHHVQNDJRDULC-RCOVLWMOSA-N	240.043	-0.510	50	10	BBGE	
C[C@@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)CO1	2303853135	RTXHNHCVHZIDEI-RQJHMYQMSA-N	241.027	-0.543	50	10	BBGE	
C[C@H](CN(C)C)N(C)c1cc(B(O)O)ccn1	2306851767	BOVFWTMYSZULDH-SECBINFHSA-N	237.112	-0.852	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@H](F)C2)n1	2307274978	LGKMZJFDHKBMFG-ZKCHVHJHSA-N	240.043	-0.408	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]2C[C@@H]3O)nc1	2315491618	PTXZPSOXWYJXGQ-MIMYLULJSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1CN	2317166426	UZICJCKJNUWOHX-GZMMTYOYSA-N	245.091	-0.613	50	10	BBGE	
CN(C)S(=O)(=O)NCCC(=O)Cl	11895615	DVYVZCRMPGNFBZ-UHFFFAOYSA-N	214.674	-0.462	50	10	BBGE	
Cn1cc(CNC(=O)NC(=O)CCl)cn1	45140301	AUCGKSHDGIPXNK-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C(=O)NN)[C@H](C)C1	69677893	CAOCYJYHEJCWHL-BWZBUEFSSA-N	213.281	-0.083	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H](C)O	82468183	ADUCQSGBJUJKHR-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN1CCCC1	82469057	HALQGHHDDNJOBA-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H](O)CN(C)CC(C)(C)C(=O)NN	86597796	IXWLMZNQDYXCLV-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
Cc1cc(=O)n(Cc2ccc(C(=O)NN)o2)cn1	110579720	BJGMLYOKGCHEPL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
O=C(O)C[C@H](CO)CNC(=O)CCl	170313805	DTDUDQKDWMDFLK-YFKPBYRVSA-N	209.629	-0.575	50	10	BBGE	
C[C@H](O)CCN(C)[C@@H](C)CC(=O)NN	220007841	HBLREWOBXKEJAO-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(O)CCCC[C@@H]2C1	220371365	KVWMOXBAXHIEMX-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CN(C)CCCN1CC(=O)NN	235609562	SQAJGANDUXTWMU-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
O=C1NC(=O)C(=O)[C@@H](Br)N1	238041245	GXDZAMIMLDWQSY-REOHCLBHSA-N	206.983	-0.884	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	253039234	ZTXHYNKGJNGPQU-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
Nc1cc(O)cc2cc(B(O)O)sc12	306646903	AXAGXAQOPRXPCP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NS(=O)(=O)CCCCNC(=O)CCl	310586400	VYFSGDJSJPXXKZ-UHFFFAOYSA-N	228.701	-0.590	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1CCO)C(=O)NN	379867463	OUJFYYBJQAWNPM-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CN(CC(=O)NN)C1C[C@@H]2CC[C@H](C1)N2C	394163810	LKGHGBYFQABTIB-ULKQDVFKSA-N	226.324	-0.467	50	10	BBGE	
N#Cc1cc2c(B(O)O)c(CO)ccc2s1	396214971	FDNOREZFNMGQNP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccon1	405036745	SRWRTUKENHNOLF-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(CBr)N1CC(NC2COC2)C1	685948077	XOMKRNYVRFLTAV-UHFFFAOYSA-N	249.108	-0.420	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)CCC(=O)NN	687462369	PIGCBDJJQJNFKW-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)[C@@H](C)C(=O)NN	687462398	PRSNTOQLMZSQNG-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)C(=O)NN)C1CC1	692096871	PYIVSBZFVFSVSD-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnccn1	700075334	OMMKERCAHVVFLE-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
Cc1cc2ncc(C(=O)NNC(N)=O)c(C)n2n1	700873524	MEFNUCYXHIGDBW-UHFFFAOYSA-N	248.246	-0.341	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCCCO	703423273	ZLVVBTJLTNDFED-HTQZYQBOSA-N	213.233	-0.325	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1CC(C(N)=O)C1	703531867	YNOOPPLDXFLJJO-UEJVZZJDSA-N	242.323	-0.659	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cc(F)ccc1B(O)O	713942594	TWHLTLABAYMBFO-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CS(=O)(=O)C1CC(=NNC(N)=O)C1	716099646	DOYVAYRYKMJYKD-UHFFFAOYSA-N	205.239	-0.782	50	10	BBGE	
OB(O)c1cn(CC2CC2)nc1C(F)(F)F	719116472	MYEBXUYDWAJYLA-UHFFFAOYSA-N	233.986	-0.008	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@]1(C)CO	723001607	ZCFMTAZDVRDYBZ-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NNC(=O)C1CN(CC(F)F)C1	791293481	YSOSVOPBFLNGEB-UHFFFAOYSA-N	221.207	-0.649	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)c1cnsn1	894287895	LPNWLZRVAYLERH-BYPYZUCNSA-N	230.249	-0.666	50	10	BBGE	
CCC(=O)NNS(=O)(=O)c1ccns1	901585273	BWZWONAMJMHNHT-UHFFFAOYSA-N	235.290	-0.137	50	10	BBGE	
C[C@H](C(=O)N1CC[C@H](B(O)O)C1)[C@@H]1CCCO1	902551036	HCDGZSJFVOGCML-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1nc[nH]n1	1140406716	ZSVNJYCQDATSND-UHFFFAOYSA-N	213.197	-0.923	50	10	BBGE	
CNC(=O)NNC(=O)c1nnc(C2CC2)o1	1292010692	NUKAQPCRYHEZTA-UHFFFAOYSA-N	225.208	-0.479	50	10	BBGE	
O=C(CO)NNc1nc2ccccc2[nH]1	1635373576	CGMXNINAGMYPPM-UHFFFAOYSA-N	206.205	-0.002	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1cnsn1	1645084234	PFGXRAIASXKBAR-ARJAWSKDSA-N	242.260	-0.151	50	10	BBGE	
Cc1cc(N2CCOCC2)cc(C)c1B(O)O	1857522716	WMKQIWNRWLFYNO-UHFFFAOYSA-N	235.092	-0.180	50	10	BBGE	
Cn1cc(C=CC(=O)N2CC[C@H](B(O)O)C2)cn1	1877296247	UHRWSSWJLQXNMP-JTQLQIEISA-N	249.079	-0.491	50	10	BBGE	
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NN	1880022550	FKDJZGVHDDXESH-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCl	1881949969	AITNUXUSZFODRB-NTSWFWBYSA-N	229.685	-0.484	50	10	BBGE	
O=C(F)NCc1ccc(B(O)O)s1	1882790137	UKLLTXHJJHEWIQ-UHFFFAOYSA-N	203.003	-0.393	50	10	BBGE	
COC(=O)[C@H](CN)NC[C@@H]1C[C@@H]1Cl	1883550290	DWVGRESOUKRGCT-ACZMJKKPSA-N	206.673	-0.296	50	10	BBGE	
C[C@H](N)CCC(=O)NN(C)S(C)(=O)=O	1888562402	UMEZYEJKUFHWQU-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
C[C@@H](OC[C@@H]1[C@H]2COC[C@H]21)C(=O)NN	1890317709	WZSPPUFWKRWHQO-NGJRWZKOSA-N	200.238	-0.726	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@H]1COC[C@@H]1O	1893461767	SGWUQSVEPKMCDH-KVPKETBZSA-N	219.668	-0.168	50	10	BBGE	
CC[C@](C)(CNC(=O)C#CB(O)O)C(F)F	1900145201	OTAWMHYOOITZMU-SECBINFHSA-N	233.023	-0.201	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(CO)c(F)c1	1902389357	DSOQVZXUPDSQLI-UHFFFAOYSA-N	227.195	-0.754	50	10	BBGE	
Cc1oncc1C(=O)N1CC[C@@H](B(O)O)C1	1902521957	LSUUUGZOPQIRKO-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@H]1C[C@@H]1F	1902640124	ZTVHDNIKDZPKFQ-RQJHMYQMSA-N	244.100	-0.387	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H](C)C(=O)NN)c1	1912214976	BPQYXHXYMQSYHF-SSDOTTSWSA-N	210.237	-0.822	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](CO)C2(CCC2)C1	1914017913	DRNPESUZPIXIKS-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
O=S(=O)(NCCCl)N1CCC[C@H](O)C1	1914129739	KZUKKRINDZJEDL-ZETCQYMHSA-N	242.728	-0.484	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)no1	1914260399	BIZBRFRQWVXNEM-HZGVNTEJSA-N	240.263	-0.767	50	10	BBGE	
CCCc1c(C(=O)NNC(N)=S)nnn1C	1923551531	KCYBWNGHFKNIEK-UHFFFAOYSA-N	242.308	-0.754	50	10	BBGE	
CC(F)(F)C1CN(C(=O)C(=O)NN)C1	1931483586	SPMCPZJGRBAYJP-UHFFFAOYSA-N	207.180	-0.910	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(F)C1	1932099574	PJOUIGNJNCXWHK-CBAPKCEASA-N	219.260	-0.575	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	1932248713	MFUPYQRWTKPNDY-TURQNECASA-N	209.293	-0.046	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C(=O)[C@@H]1C	1935925853	LSNAMFUSCOOMBX-PHDIDXHHSA-N	235.234	-0.274	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1936027482	YAPIDOKBQUBLJU-IWSPIJDZSA-N	233.287	-0.450	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cc(F)ccc1=O	1936086878	WPOIVFXZDMYJJZ-XPUUQOCRSA-N	225.223	-0.387	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@H]1C[C@H]1C(=O)NN	1936087093	YGVYXNQMBMDJCW-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088779	RBNXUXCWZOODSQ-IVZWLZJFSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)CC(F)F	1936089054	SSGFOKMIVDZDMJ-NKWVEPMBSA-N	237.250	-0.828	50	10	BBGE	
CO[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936093562	FRKTVKSPUFJXSI-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1936110350	DXHZRXURPMHEDA-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
O=C(CCn1ccnn1)N[C@@H]1COC[C@@H]1Cl	1937144210	CKQNMOGVOKHQRB-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)C1(CN2CCS[C@H](CO)C2)CC1	1938231941	GGJFOSWZOPIUEI-QMMMGPOBSA-N	245.348	-0.834	50	10	BBGE	
CC(=O)NNC(=O)CSCC1(C(=O)O)CC1	1938272654	JLNKNPANFWLQMO-UHFFFAOYSA-N	246.288	-0.248	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@]2(C(=O)O)C1	1938373586	RQFUBRGXCCFRGA-XVKPBYJWSA-N	227.264	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@]12CCOC2	1939718367	DEOQEHMMLPXFMX-YWVKMMECSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCN(C2CC2)CC1	1941079000	NOPZMVMUECVVKU-KOLCDFICSA-N	238.335	-0.608	50	10	BBGE	
Cc1ccc(CN(C)[C@@H](C)CC(=O)NN)nn1	1941970707	AOKIXBPLRFVVCK-VIFPVBQESA-N	237.307	-0.015	50	10	BBGE	
CO[C@@H]1COC[C@H]1Oc1cccc(B(O)O)c1	1942933765	GZILXDXHSGXHKT-GHMZBOCLSA-N	238.048	-0.841	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(CC2(C(=O)NN)CC2)C1	1945891335	KIYZMPTYKHXJHX-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
C[S@](=O)CC1CN(C[C@@H](O)CCl)C1	1953821191	INKWKUMRMIUAGM-SDBXPKJASA-N	225.741	-0.104	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](N2CC(O)C2)C1	1958216279	ANUPFAFWDNKLRP-SFYZADRCSA-N	232.711	-0.109	50	10	BBGE	
Cn1nnc(CNCCOCCCCl)n1	1958683810	OFWSPXXETPGMKQ-UHFFFAOYSA-N	233.703	-0.055	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)CC(C)(C)C1	1961393690	JEYXXIKIFBFTBF-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2C[C@@H]2C)n1	1961687479	LZNAYSARNCXBLU-RCOVLWMOSA-N	207.038	-0.143	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(F)C1	1961718795	UEVQQKHAEKXVEC-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
N#C[C@H](Cl)CN1CC2(CNS(=O)(=O)C2)C1	1974753803	CANSXZKPRHTLCA-ZETCQYMHSA-N	249.723	-0.648	50	10	BBGE	
COC[C@@H]1CCOCCN1CCC(=O)NN	1977065833	LQSQMWPDMWXFQN-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC1CC(CO)(N(C)C[C@@H](C)C(=O)NN)C1	1978670281	SIPXTDGFXNIDEY-INWMGODYSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]([C@@H]1CCCOC1)N(C)C(=O)C(=O)NN	1980240475	TXIGVRUQCQAWQS-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
Cc1nn(C)c(=O)n(CCOCCCl)c1=O	1982480269	YHEGKFRWVTVJSF-UHFFFAOYSA-N	247.682	-0.494	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@H]2CC[C@@H]21	1988712752	YHFDFCQRARMUED-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
COC[C@H]1C=CCN1CC(=O)NNC(C)=O	1990776331	JKMPBJCFPAKAKX-SECBINFHSA-N	227.264	-0.960	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)[C@H]1CC12CCC2	1991326531	HSJIMRXBJZZOBM-QMMMGPOBSA-N	245.109	-0.583	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCO[C@@H]1CCNC1	1991714887	MOZYWGXMFMPPNX-FHKCNRDCSA-N	246.694	-0.197	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC[C@@H](F)C1	1992152450	FFPZGBAMSHMGMH-DTWKUNHWSA-N	227.044	-0.354	50	10	BBGE	
O=C(NCC#CB(O)O)C1CCC(F)CC1	1992153588	PWUBKKSBHSLFEM-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C[C@H](C)O)C[C@@H](C)O	1997349112	AQDNYIAAXCOWTR-KXUCPTDWSA-N	247.339	-0.936	50	10	BBGE	
CCn1ncc(CN(C)C[C@@H](C)C(=O)NN)n1	2004804503	OHIGIOBKSKPUMG-MRVPVSSYSA-N	240.311	-0.644	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ncc(B(O)O)cc1F	2005013842	BOTBIOUESVCEMJ-SVRRBLITSA-N	242.034	-0.163	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@]3(C)C2)c(B(O)O)c1	2005014852	RPPLRKCDSPRBCB-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)c(F)c1)N(C)C	2008380813	STBJMGIEIOAZCS-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	2012896582	DWUHSIVZKLTOAS-ILWJIGKKSA-N	241.335	-0.295	50	10	BBGE	
Cc1ccnc(C)c1Cn1cc(B(O)O)cn1	2013517018	AEBVNTVJIIMHTM-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](CO)C12CC2	2016082210	ZVJBLFLBNXRXJD-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)CC1CN(C)C1	2019210585	NFROEPDKOMAONN-UHFFFAOYSA-N	242.323	-0.963	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N(C)C)[C@H]1C	2019211854	RFXHQLNLHXRWON-PSASIEDQSA-N	242.323	-0.822	50	10	BBGE	
CC(C)n1nnnc1CN(C)[C@H](C)C(=O)NN	2019562474	WCQZLKWZONTUCF-SSDOTTSWSA-N	241.299	-0.936	50	10	BBGE	
Cc1ncoc1C(=O)N[C@@H]1CCC=C1B(O)O	2020062366	QJTVRCUPRJQEFM-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1[C@H]2CCO[C@H]21	2020069322	ZQDFXAUZMPUCAL-PEBGCTIMSA-N	237.064	-0.762	50	10	BBGE	
O=C(NCC#CB(O)O)C1CCC(F)(F)CC1	2021158246	ZARJWUBASZDISS-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CN(Cc1cnccn1)c1ncccc1B(O)O	2052498591	GNENTFPIGWJYJF-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
COc1nc(N2CCC3(CC3)C2)ncc1B(O)O	2052621207	CYWJIGHYEFSXQZ-UHFFFAOYSA-N	249.079	-0.845	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(c2ccccc2)C1	2057647789	JBDBPIXFSBHUFQ-NSHDSACASA-N	249.314	-0.042	50	10	BBGE	
COc1ccc(C#N)c(Cl)c1B(O)O	2060100420	MEWRTQQJQROURO-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1cc(B(O)O)cc(C=O)c1C#N	2060188846	SBEKJRRQRWKZKG-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CCc1cc(OC)cc(C#N)c1B(O)O	2060264899	HKGHJUHQLWIATA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCC[C@@H]2C1	2065200180	VZTJNGFPZXEIJG-VHSXEESVSA-N	247.107	-0.217	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)[C@H]1C	2211249115	GZAIVPCNJQZOGF-ZYUZMQFOSA-N	229.324	-0.154	50	10	BBGE	
Cc1cnc(NC[C@@H]2C[C@H]2F)cc1B(O)O	2212603847	JUAHJGSMAJSSRJ-IONNQARKSA-N	224.044	-0.160	50	10	BBGE	
Cc1cnc(N2CC[C@H]2CF)cc1B(O)O	2212606769	ZVENUGNVYKFESU-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC2CCC2)c1	2212610258	FVRDKKBZANXYRE-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
CC[C@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2212610350	HKPRSZVIHKUDGB-DTWKUNHWSA-N	220.081	-0.359	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2213954798	LMOMWHKAYBLNFJ-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H](CCO)C1	2215778272	YHOOEJJLTNYIAG-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC=CCO2)c1	2217175590	KVDUCYQBLBUBNP-SNVBAGLBSA-N	234.064	-0.482	50	10	BBGE	
OC[C@@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217177598	KUMQKMPQCJORFX-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@]23CCOC3)nc1	2217178761	AWJISHFWVHBFLW-GXSJLCMTSA-N	234.064	-0.648	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncccc2B(O)O)CCN1	2217181506	QUUMXBRSKVGJBY-BDAKNGLRSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H](COc1nccc(B(O)O)c1F)N(C)C	2217190488	NYGWENUHNMUDSD-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN2CCC[C@@H]12	2223667684	UQQMBDRNHNZXDP-MNOVXSKESA-N	247.107	-0.590	50	10	BBGE	
N#Cc1ccc(Nc2ccc(B(O)O)cn2)cn1	2223678179	YIHNRHGFOAUHJZ-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
CC1(C)NCCC[C@@H]1Nc1ncccc1B(O)O	2223679682	SQMCGENUTGVABG-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2241480011	HDRFACKLTBDGEW-VZFHVOOUSA-N	201.006	-0.534	50	10	BBGE	
C=CCNC(=O)c1sccc1B(O)O	2241481809	WANIQOGAIHAURA-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
O=C(N=S1(=O)CCC1)[C@@H]1C[C@@H]1B(O)O	2241496766	WELXOZHSLCOCMU-RITPCOANSA-N	217.055	-0.752	50	10	BBGE	
NNC(=O)C(F)(F)CSCC1COC1	2241888087	DVYAUXZCPXOKAV-UHFFFAOYSA-N	226.248	-0.009	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1csc(B(O)O)c1	2243362646	UMVFGPUOWZNQSX-ZETCQYMHSA-N	239.105	-0.044	50	10	BBGE	
Cc1cc(C(=O)NCC(F)F)sc1B(O)O	2243375843	ZFZUWAMTYOVLGV-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CC[C@H]1N	2243409397	HFQXIKDTOMPSSC-HTQZYQBOSA-N	226.085	-0.668	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1NC(=O)C1(B(O)O)CC1	2243410026	UBLTXAZQRYCEMV-JGVFFNPUSA-N	226.085	-0.940	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1occc1B(O)O	2243411214	QDRFVFCZWAFLCV-SSDOTTSWSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C(=O)C1(B(O)O)CC1	2243411366	RXYUQTWJMQZKOP-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
CC1CC(NC(=O)c2sncc2B(O)O)C1	2243415540	XHIWRSMMOSMRBK-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243426558	ISGQRZCRVHPEGP-OYNCUSHFSA-N	227.069	-0.777	50	10	BBGE	
C[S@](=O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427305	SWFKCVCYLSZSQQ-DELOJEAUSA-N	247.125	-0.876	50	10	BBGE	
COC[C@]1(C)C[C@H]1Cn1cc(B(O)O)cn1	2243817441	IEJHMWRMHUBWQM-WPRPVWTQSA-N	224.069	-0.765	50	10	BBGE	
NC(=O)CCCCN1CCC(B(O)O)CC1	2244177152	LQAMZXZCQZYUNB-UHFFFAOYSA-N	228.101	-0.419	50	10	BBGE	
C=C1CC(N)(COc2cc(B(O)O)ccn2)C1	2246893673	SBKZAVOBGRHLHF-UHFFFAOYSA-N	234.064	-0.812	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	2247404780	XZMGIIPMVQVMKR-WLRJLXCNSA-N	237.303	-0.083	50	10	BBGE	
O=C(N1CC[C@@H]2C[C@@]2(O)C1)C1(B(O)O)CCC1	2247734066	RGNVMSXSUQXDDE-LDYMZIIASA-N	239.080	-0.633	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ccoc1B(O)O	2247741230	WTBRIMHUIUDDGV-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C#CCCCN(C)C(=O)c1occc1B(O)O	2247758049	SHCPRKXVHJPOGV-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC=C(F)C1	2247759410	PWTRDOTXBANQEH-UHFFFAOYSA-N	238.027	-0.986	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)cn1C1CC1	2247759546	SLKWBVNKQALKFL-UHFFFAOYSA-N	238.052	-0.864	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2247760848	OTCRRAUQNWJARV-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
CN(Cc1nc[nH]n1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786673	DZOPGPVAHRLKPI-KNVOCYPGSA-N	238.056	-0.984	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787576	QSXHSEIERMRUSU-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@@H]1C1CC1	2247791903	PMHPDUOSXPAFAQ-KXUCPTDWSA-N	239.080	-0.513	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCN(C)C1	2247797120	GIGFHMYTNLRGFZ-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247798192	QWVDNOJPUXISFR-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC1CC2(CCNC2)C1)[C@H]1C[C@H]1B(O)O	2247798240	RMWLXHQIQRKFFP-UVCIYIGYSA-N	238.096	-0.892	50	10	BBGE	
CC(C)(CCO)CNC(=O)C1CC(B(O)O)C1	2247798282	SAMKNKDBYJDBDL-UHFFFAOYSA-N	243.112	-0.236	50	10	BBGE	
C[C@@H]1CCC[C@H](CN)N1C(=O)[C@@H]1C[C@H]1B(O)O	2247809341	PEKXMADJBRAOQP-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CN2CC[C@H]1C2	2247809750	QZXPZWSGTSGGAF-SGIHWFKDSA-N	238.096	-0.988	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CCO)CCC1	2247810327	WKPXPJGXJDNRBY-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(N1C[C@@H]2[C@H](CO)[C@@H]2C1)C1(B(O)O)CCC1	2247877603	BZYBMDKIEKUOGQ-AYMMMOKOSA-N	239.080	-0.920	50	10	BBGE	
C[C@@H](O)CN(C(=O)C1(B(O)O)CCC1)C1CC1	2247877906	KDWLYOLLIWPMHY-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
CC(C)N(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1B(O)O	2247886457	BSGLLBOQTSVYFJ-RKDXNWHRSA-N	243.112	-0.143	50	10	BBGE	
COC1(CN(C)C(=O)C2CC(B(O)O)C2)CC1	2247893259	OUYVDGWNKWGKKA-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
N[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894605	IWUPZCPVKMZAEB-XKNYDFJKSA-N	240.112	-0.375	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ncccn1	2247899065	KEFKYKWBMGLKFW-XLPZGREQSA-N	235.052	-0.483	50	10	BBGE	
CC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCNCC1	2247899543	OAFPYGVNTKUUPG-BDAKNGLRSA-N	240.112	-0.645	50	10	BBGE	
C[C@@]1(O)CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247906319	XSXMUOZVTDCDOW-RSWAIMACSA-N	241.096	-0.341	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248574671	UIURFAUSPDJIQG-BIIVOSGPSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C(=O)O	2248575321	BAEHSUDMQOCRAI-WCTZXXKLSA-N	241.052	-0.972	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C=CCOC2)c(F)c1	2249282743	YVNGNDPEUIKHMU-MRVPVSSYSA-N	239.011	-0.766	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2249420633	WXEBFTJCPWOVEL-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2249433529	NJUONUQDTMDQSO-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2249574651	GSCMCKICUWQOAP-MAUMQABQSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(F)cc1B(O)O	2255501463	QQPSITJYQKOBII-VIFPVBQESA-N	249.050	-0.046	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)ccc1C	2255508535	ANZDZWRGVYNYQB-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CC#CCCNC(=O)c1cc(F)ccc1B(O)O	2255727592	RVBJWRKTODJKKJ-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1cc(B(O)O)co1	2258123202	LWYKYOCTIHYAQL-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
O=C(N[C@@H]1CCO[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298371172	BNPVCIUCHBTBML-KYXWUPHJSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]1C1CC1	2298374802	NHLFYUUSZKMZPA-QCLAVDOMSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)O1	2298376816	PYHQCDPEVZYQNU-VVULQXIFSA-N	241.096	-0.126	50	10	BBGE	
CCN(CCC[C@H]1C[C@@H]1C(=O)NN)CC(N)=O	2300372469	QVMWHGBSCMKXDL-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2COC[C@@H]21	2300374171	SYWQKNASQUXVNI-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H](CC(=O)NN)OC1CC(n2cnnc2)C1	2300921946	UWJJAIISBWTSRM-UEJVZZJDSA-N	239.279	-0.233	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(F)(F)C1	2301338358	ICQXQXUPDZZHLP-UHFFFAOYSA-N	238.002	-0.307	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1cc(C)cc(B(O)O)c1	2301584751	CAORAGFSMZYDGW-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@]2(C)CCOC2)C1	2303112077	PHNARPXCDXQTMD-WDEREUQCSA-N	241.096	-0.122	50	10	BBGE	
CC[C@](C)(CN1CC(CC(N)=O)C1)C(=O)NN	2303427176	WASJYNWTLNXBOQ-LLVKDONJSA-N	242.323	-0.800	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CNC[C@H]1F	2303695548	CMMSZQUTELFMIP-GEPGNKONSA-N	244.075	-0.992	50	10	BBGE	
CC(C)NC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	36782103	QSHJEPOXBSHVNX-ZCFIWIBFSA-N	249.698	-0.036	50	10	BBGE	
CSc1nn(C)c(N)c1C(=O)NN	39118795	YSMUCORFDJCJMM-UHFFFAOYSA-N	201.255	-0.672	50	10	BBGE	
C[C@H](CCC(=O)NN)n1cc(C(N)=O)cn1	82471517	ONZHJIZHTQMUFL-ZCFIWIBFSA-N	225.252	-0.687	50	10	BBGE	
CNC(=O)CN1CC[C@@H](Br)C1=O	82606860	AZFGYWUKOAAHQO-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
Cc1nn(C)c(C)c1O[C@H](C)C(=O)NN	83893094	VCAKBLMCVIOHTH-SSDOTTSWSA-N	212.253	-0.206	50	10	BBGE	
CC(=O)N1CCN([C@H](C)[C@H](C)C(=O)NN)CC1	93071677	OQNOBBKSTFZLNW-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)c1cc(CN2CCC(O)CC2)on1	110568623	WXIYDIQIIKRQCU-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCCN1	113812691	VKVKDVYOUURKNU-BYPYZUCNSA-N	225.170	-0.552	50	10	BBGE	
O=C1NS(=O)(=O)[C@H](Cl)[C@H]1Cl	138429875	XEBQKSJHNWDZHD-NCGGTJAESA-N	204.034	-0.382	50	10	BBGE	
CCCN1CC(=O)N(C[C@H](O)CCl)CC1=O	163077724	LXKAXVPIZYMFJV-MRVPVSSYSA-N	248.710	-0.333	50	10	BBGE	
OB(O)c1ccc(COC[C@@H]2CCOC2)cc1	199071956	NWTZDKAUQOIDMJ-LLVKDONJSA-N	236.076	-0.081	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)Cc1ccc(B(O)O)cc1	211150079	ZOEQVAQOLTWHKW-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
OC/C=C/[C@@H](O)[C@H](O)CBr	223928639	YTMORFNIWVQAMT-IYTQHBPKSA-N	211.055	-0.348	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cscn1	232419568	JWWLRFOIAHXPPC-QMMMGPOBSA-N	244.320	-0.420	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1ccc(=O)[nH]n1	234868395	NZIAFJFOPLKKMQ-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
C[C@@H](CN1CCC([C@H](C)O)CC1)C(=O)NN	235527277	LLHHPVDOJNVZPP-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
COC(=O)c1c(B(O)O)ccnc1Cl	238325777	AVUQGKZGEAGDCQ-UHFFFAOYSA-N	215.401	-0.799	50	10	BBGE	
Cc1cn(CC(=O)CCl)c(=O)[nH]c1=O	238491335	LQZTUNPTCPUXCM-UHFFFAOYSA-N	216.624	-0.347	50	10	BBGE	
N[C@@H](CO)C(=O)NNCc1ccccc1	238579644	ZWNVLRWZYFFEMM-VIFPVBQESA-N	209.249	-0.873	50	10	BBGE	
NC(=O)NN=C1C=CS(=O)(=O)C=C1	238588161	VRDJYFWPJVBMID-UHFFFAOYSA-N	201.207	-0.534	50	10	BBGE	
[C-]#[N+]Cc1nc2n(n1)CCCS2(=O)=O	257628603	BOOOJQRPRYJLBB-UHFFFAOYSA-N	212.234	-0.125	50	10	BBGE	
CS(=O)(=O)CC1=C(C#N)C=NS1(=O)=O	260079800	IJLRACHIHOJXMD-UHFFFAOYSA-N	234.258	-0.777	50	10	BBGE	
COC[C@H]1CCCN([C@H](C)C(=O)NN)C1	300055959	KBKHJVNAZALROZ-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
Cn1ccn(Cc2ncccc2C(=O)NN)c1=O	302394913	QZKPFUAFZKBYGE-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C)CCC(=O)NN	308129027	AYPDHKWICRUISY-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](C)COC	309075335	JOOCXUZUEMDZDP-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
N#Cc1nccn1Cc1nc(C(=O)NN)cs1	378663893	ILSTWEIPVVCWDH-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1[C@@H](C(=O)NN)C(C)(C)C	384777870	HSVSLBAIJUKNCG-HLTSFMKQSA-N	229.324	-0.154	50	10	BBGE	
CN=c1[nH]nc(S[C@H](C)CC(=O)NN)s1	385256849	RJIOFOVLEXOGSU-SCSAIBSYSA-N	247.349	-0.138	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1[C@H](CC)C(=O)NN	385890022	MRGYYSOJLIIESA-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Cl)[C@H]([N+](=O)[O-])C[C@@H]12	389636804	OMDLBGWHTZQYSP-XZBKPIIZSA-N	233.655	-0.305	50	10	BBGE	
NC(=O)N1CC[C@H](N=c2[nH]nc(CCl)o2)C1	393186669	PRBDSKQJNKAAAI-YFKPBYRVSA-N	245.670	-0.205	50	10	BBGE	
CC(C)(CN1CCCCS1(=O)=O)C(=O)NN	395589431	HZZOVDNBOYJPGH-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
Cc1cc(=O)n(CCC(C)(C)C(=O)NN)cn1	395612070	JSGKLSKTCUNVHO-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1CC(=O)O	396136717	ZIUOBUATTFJPKR-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
O=Cc1cccc2sc(CO)c(B(O)O)c12	396339180	QCOFJCHCPXMEOI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1cc2cc(O)c(B(O)O)cc2s1	396347345	SDOKCDMEEWBTRY-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC[C@H]1C	399447569	YLPTUPNASZQTKI-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1[C@H]2CCC[C@H]12	404996936	HGCYUFAXKDDNGN-IUCAKERBSA-N	246.075	-0.254	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NC1CC1	584644179	ZNMDBKBFOQNDKT-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
CCOC(=O)[C@H]1C[C@@H](Cl)NNC1=O	585662293	SCQUMHQVRQUAKX-WHFBIAKZSA-N	206.629	-0.245	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NN)C1	687218775	LVSJSFMJCGAPBR-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CCN1C(=O)CN(CCCC(=O)NN)C1=O	688954858	BESBZAWWRXZCIH-UHFFFAOYSA-N	228.252	-0.959	50	10	BBGE	
CN(CCC(=O)NN)[C@H](CO)C(C)(C)C	689782815	CVYVXKPNLCOUJG-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
NNC(=O)CCN1CCN(C2CC2)C1=O	690765025	FLMXXVWRPLXZGW-UHFFFAOYSA-N	212.253	-0.734	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H](OC)C1CC1	692225919	ZLWPHVZBKGHRGU-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2CC1(CO)C2	694582799	JNDBOWRJLBJBPM-ZCUBBSJVSA-N	213.281	-0.788	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCNC(=O)[C@H]1C	695104084	OGMNWDICYIJFST-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(COC3)C2)c1	697132043	GHYPGHSFMAUAFX-UHFFFAOYSA-N	237.259	-0.285	50	10	BBGE	
C[C@H](Br)CNC(=O)c1nnn(C)n1	697203114	CGVJVMPWFDBDAS-BYPYZUCNSA-N	248.084	-0.277	50	10	BBGE	
CN(N)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	704634938	JAUTVYOLTPBOMY-RXMQYKEDSA-N	239.197	-0.271	50	10	BBGE	
O=C(NCB(O)O)c1ccc(-c2nnco2)cc1	706463498	YTTZZKFHDODOHQ-UHFFFAOYSA-N	247.019	-0.522	50	10	BBGE	
C[C@H](CO)N(C)Cc1cnc(C(=O)NN)s1	711157669	MCTRVROAFJQRKH-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
CN1CCN(CCn2cnnn2)[C@@H](CCl)C1	712600649	YQZWFQMZALHOIR-VIFPVBQESA-N	244.730	-0.472	50	10	BBGE	
COC(=O)[C@@H](NNC(=O)C1CC1)C1CC1	781588278	RVOIRJQUQCDERQ-QMMMGPOBSA-N	212.249	-0.031	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C\[C@H]1CCCO1	819508260	MVCGPBVMFXHAEO-RPSMYOMKSA-N	242.275	-0.360	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC[C@H](C)N	831944625	DDZLUTQUUZQZSB-ZETCQYMHSA-N	216.285	-0.194	50	10	BBGE	
COCCOCC(=O)NNC(=O)C12CC(C1)C2	869901711	WQGGZOATUHBLSB-UHFFFAOYSA-N	242.275	-0.403	50	10	BBGE	
CN(C)C(=O)NNC(=O)CC1(C#N)CC1	1117745333	MEOOLSITMYQQKW-UHFFFAOYSA-N	210.237	-0.017	50	10	BBGE	
O=C1N[C@@H](C(=O)NN=c2cc[nH]cc2)CO1	1296237410	OIYHVBBXQVTMLO-SSDOTTSWSA-N	222.204	-0.945	50	10	BBGE	
CCOC(=O)NNC(=O)CCCCC(N)=O	1321794341	OBYOIRZQXPOHAK-UHFFFAOYSA-N	231.252	-0.191	50	10	BBGE	
COC(=O)NNS(=O)(=O)c1cnc(C)[nH]1	1325867868	XXBBIRKDBSPXFY-UHFFFAOYSA-N	234.237	-0.733	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cc[nH]c1	1470048923	AXUCWXKIPZWZQO-UHFFFAOYSA-N	219.204	-0.187	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1cccnn1	1625193935	OOZSHLCQXXOCFC-UHFFFAOYSA-N	236.231	-0.560	50	10	BBGE	
COc1ccccc1NNC(=O)C1(O)COC1	1634512407	PTOMBZJBBPUNJQ-UHFFFAOYSA-N	238.243	-0.100	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CC[C@@H]1C(=O)O	1878052353	LGHCQDIZZJDXKS-NTSWFWBYSA-N	201.226	-0.375	50	10	BBGE	
CC[C@H](Cl)C(=O)NC1(CO)COC1	1882928158	NDGPRGPWYRMGFY-LURJTMIESA-N	207.657	-0.119	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1(CO)CC1	1883627155	QSSIZMPVZBAOON-UHFFFAOYSA-N	203.625	-0.051	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(O)(CO)C1	1883643595	BPIOFHIYYIQAIB-NTSWFWBYSA-N	205.641	-0.821	50	10	BBGE	
CC[C@@H](C)S(=O)(=O)NCC=CB(O)O	1892926306	ZHROJICEPQTOOW-SSDOTTSWSA-N	221.087	-0.728	50	10	BBGE	
COC(=O)C1(O)CN(C[C@@H]2C[C@@H]2Cl)C1	1893099429	OWJMWADUJOKKCC-BQBZGAKWSA-N	219.668	-0.167	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)C1(CO)CNC1	1893129299	UJGSLWXFLZWXMN-NKWVEPMBSA-N	218.684	-0.688	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1F	1895125469	FGNMCUQWOPNRHK-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC=C[C@@H]1CO	1896014812	XQRGBVHRDIGUDU-IVZWLZJFSA-N	225.292	-0.765	50	10	BBGE	
N#CC1(O)CCN(C[C@@]23CNC[C@@H]2C3)CC1	1897661327	VXUDZZPXAJEMHL-WDEREUQCSA-N	221.304	-0.054	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CNC(=O)O2)C1	1902518917	ZEWXIOUCHRCQQO-CBAPKCEASA-N	228.057	-0.966	50	10	BBGE	
C[C@@H](CN1C[C@H](C)CCC1=O)C(=O)NN	1912262572	ZXOFVGOPOQLSPI-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
CC[S@](C)(=O)=NC[C@H](C)C(=O)NN	1913887584	DSFXWKBGKALHMT-IYQDAUBNSA-N	207.299	-0.270	50	10	BBGE	
COC[C@H](N=[S@](C)(=O)C(C)C)C(=O)NN	1913903160	FCANRTTVGOAZBB-NZFNHWASSA-N	237.325	-0.503	50	10	BBGE	
CN(CCCC(=O)N(C)C)CCC(=O)NN	1935553659	HAUZZYHWVOGSTC-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1936090227	HDYOIZFNDUZICI-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](C)COC	1936094020	JPJLRPOEZHDNJR-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
Cc1ccn(CCOCC(=O)NN)c(=O)c1	1936528499	GQMMVQSNZHOZQY-UHFFFAOYSA-N	225.248	-0.837	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]1C(N)=O	1936582485	JBBFFIMJSOBGRD-MRVPVSSYSA-N	228.296	-0.904	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H]2[C@@H](C(=O)O)[C@@H]21	1938152906	HBLNPPBMAAYWHJ-BWZBUEFSSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)CC1(C(=O)NN)CC1	1938245813	ASPOMHCOFPTVFH-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
CC[C@H]1COCCN(C[C@H](C)C(=O)NN)C1	1939306570	GSNREPALCXMDJN-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CCC1(C)C)C(=O)NN	1939464442	IUPBZLSSSCQZRR-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
COC1CC2(C1)CC(C(=O)NNC(N)=O)C2	1939667386	YXOMTHVSFJZODW-UHFFFAOYSA-N	227.264	-0.109	50	10	BBGE	
CN(Cc1cnccn1)C[C@H]1C[C@H]1C(=O)NN	1941088875	HGZLOGDTFLXFOO-PSASIEDQSA-N	235.291	-0.466	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1941093137	FJUXGMLLULRLKA-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
CC[C@@]1(C)CCN(CCOCC(=O)NN)C1=O	1941773295	VXYLDZMNVYOLJC-NSHDSACASA-N	243.307	-0.359	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnnn1C	1950439101	NCWJZEGGIOXAMG-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H](C)[C@H](O)CO	1954239847	QIBZCNIUTLZQAN-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
O=C(N[C@@H]1C[C@@H](O)C[C@H]1O)OCCl	1954819041	JUJNNVMTYQAFSW-HSUXUTPPSA-N	209.629	-0.207	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H](F)C1(O)CNC1	1956927169	YKAPQCAUUMNYRB-YFKPBYRVSA-N	245.081	-0.421	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@@H](CCO)C1	1957243505	GBMSMLZCUGMNID-IUCAKERBSA-N	217.700	-0.226	50	10	BBGE	
Cc1nccn1CCN(C)CC(=O)NN	1958575695	QZVVVCULLJGUMB-UHFFFAOYSA-N	211.269	-0.887	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]1c1ncon1	1958700846	VSHZDSGPELCXCW-ZCFIWIBFSA-N	211.225	-0.804	50	10	BBGE	
CC1(C#N)CN(CC2(C(=O)NN)CC2)C1	1960479218	QGOWWLBAHQKAKW-UHFFFAOYSA-N	208.265	-0.398	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@@H]1C[C@@H]1C(=O)NN	1960618510	ORGPQRSSQFDUMB-IMTVCQGZSA-N	234.325	-0.813	50	10	BBGE	
CCC[C@H]1COCCN1[C@@H](C)C(=O)NN	1961275593	BCLJUFUHNCMMIM-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)CC(C)(C)C1	1961393691	JEYXXIKIFBFTBF-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
Cc1ccc(=O)n(C[C@H](C)C(=O)NN)c1	1961472877	VFYOSPLIHYMJMJ-QMMMGPOBSA-N	209.249	-0.217	50	10	BBGE	
O=C(c1ccnn1C1CC1)N1CC[C@H](B(O)O)C1	1967587328	OXEGDIQJDAXEEC-QMMMGPOBSA-N	249.079	-0.093	50	10	BBGE	
CCCN1CC[C@H](N(C)[C@@H](C)C(=O)NN)C1	1976569601	FZJRQVBPWVGBST-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)COCCN1CC[C@H](CCF)C1	1979205894	TVXYZDCABINDSJ-VIFPVBQESA-N	233.287	-0.326	50	10	BBGE	
CON(CC(C)C)c1ccc(B(O)O)cn1	1981414963	YJPGYKYYDMXUEB-UHFFFAOYSA-N	224.069	-0.215	50	10	BBGE	
CCCOCCOc1ccc(B(O)O)cn1	1981431046	VEAZQTFIVNQPPE-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C)C2)n1	1981469381	RMKXVXZCTVUXHA-SSDOTTSWSA-N	221.069	-0.689	50	10	BBGE	
CSCCN(C)c1ccc(B(O)O)c(C)n1	1981469409	RWDDOLQNAAMCHD-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](C1)C2O	1981542570	BMHPYQLFLBQMCG-SLHIUPAKSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](O)(C(C)(C)C)C1	1983788284	LWVDGDNHZCZEGO-GZMMTYOYSA-N	229.324	-0.152	50	10	BBGE	
C=C(CN(C)C[C@@](C)(COC)OC)B(O)O	1992129130	BZMRTBYHAJXZFE-JTQLQIEISA-N	231.101	-0.462	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](OCCO)C1	2001032688	ZKKHLTCVEVDHRE-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCNC(=O)C1CN([C@@H](C(=O)NN)C(C)C)C1	2002652354	OOVAIWHLMDLURD-SECBINFHSA-N	242.323	-0.931	50	10	BBGE	
CC[C@H](COC)Oc1ccc(B(O)O)c(C)n1	2004924808	HVORTBXMQGBHLS-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CO[C@]1(C)CCN(c2ccncc2B(O)O)C1	2004935972	SMRUCTMJXRNFQY-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1ccncc1B(O)O	2004950180	BWUZPRSKCQLBON-KCJUWKMLSA-N	237.064	-0.435	50	10	BBGE	
Cc1ncnc(N2CCCC[C@@H]2C)c1B(O)O	2004972415	FLNPFYRZMUOYDF-QMMMGPOBSA-N	235.096	-0.156	50	10	BBGE	
Cc1cc(NC(=O)C2COC2)ccc1B(O)O	2007617079	ZHAHSIOKBNYQIY-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CCCCO1	2008841070	VOCNRKRDTDCIQD-VIFPVBQESA-N	237.064	-0.903	50	10	BBGE	
O=C(NCB(O)O)c1ccc(OCCF)cc1	2015498433	UVCDGXXMLPXOGF-UHFFFAOYSA-N	241.027	-0.223	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CC(=O)NNC(C)=O)C2	2019212580	UENQLXXECNPVGG-KOLCDFICSA-N	241.291	-0.878	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)nnc1C	2020061993	MRRUNDXAQYGBTN-UHFFFAOYSA-N	235.052	-0.609	50	10	BBGE	
C=C(CN1C[C@H]2C[C@H]1CN2CC(F)F)B(O)O	2021165159	RKWBFFAKLDFBFN-DTWKUNHWSA-N	246.066	-0.422	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1(C)COC1	2026709900	BKZNDPXRSDFVRM-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3COC[C@H]3C2)n1	2052551849	KIKPUSRZCMGHCR-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
COc1c(C#N)ccc(B(O)O)c1OC	2060290122	NVMWDXLTKCLKFL-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
Cc1nc(NC(=O)c2ccco2)ncc1B(O)O	2069485107	RHMCCJHVURTAHL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnn2ccccc12	2076079115	NSZXHIGSTIEZNC-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3COC[C@H]32)n1	2077844620	NLBYSLZCZNCWEW-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1cnn(-c2nccc(B(O)O)c2F)c1	2212596039	SLZRKEPZCXOKNY-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C#CC[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2212604060	LMKCJBFNIUDAHP-VIFPVBQESA-N	218.065	-0.745	50	10	BBGE	
CN(CC1(Cl)CC1)c1ncc(B(O)O)cn1	2212610431	IRCBQWIDWVBKMI-UHFFFAOYSA-N	241.487	-0.636	50	10	BBGE	
COC[C@H](Oc1cccnc1C#N)C(=O)NN	2214883158	RAOKMCKSOHSMEI-VIFPVBQESA-N	236.231	-0.663	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215777935	WARSIBIWWCEJMT-XUTVFYLZSA-N	237.259	-0.993	50	10	BBGE	
CCOC(=O)Nc1ccc(OC)cc1B(O)O	2215805060	LDNCIINEVKLGOA-UHFFFAOYSA-N	239.036	-0.057	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCO[C@@]2(C#N)C1	2216067466	FJBFGLLCPVGIFW-KKZNHRDASA-N	238.291	-0.631	50	10	BBGE	
CNC[C@@H](Oc1ncccc1B(O)O)C1CC1	2217171138	AUMZRLZCXVGXHP-SNVBAGLBSA-N	236.080	-0.862	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCN1	2217175068	CPPWYFIKWQJGBH-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
Cc1ncc(CNc2ncccc2B(O)O)o1	2217182750	GQJMNTBZJOCSES-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CC1(C)COC[C@@H]1Nc1cc(B(O)O)ccn1	2217201546	YQCPNBLJCWOLRX-VIFPVBQESA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](C)[C@H](O)CNc1cc(B(O)O)ccn1	2217203865	BDRGFOSEYRZTQP-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
N#Cc1ncn(C[C@@H]2CC[C@H]2C(=O)NN)c1C#N	2221567163	NGZGVIKOJCPEJL-JGVFFNPUSA-N	244.258	-0.357	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(B(O)O)ccn1	2223640231	VOBYDAIAGNWUQM-RTCCRHLQSA-N	247.107	-0.780	50	10	BBGE	
C=C[C@]1(Oc2cc(B(O)O)ccn2)CCCNC1	2223663151	NPMXRVQAOFRPEN-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCCCN1	2223668710	AAOUDDKCSAUYJI-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ncccc1B(O)O	2223674560	LSWLZDQMWVTSTB-OEIWMXHLSA-N	247.107	-0.701	50	10	BBGE	
CC(CO)(CO)C(=O)NC1CC(Cl)C1	2241246511	OLGFLBPWGHUXMW-UHFFFAOYSA-N	221.684	-0.137	50	10	BBGE	
CCNC(=O)c1cc(C)c(B(O)O)s1	2241473745	PEXGZGOYSVFPQP-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
Cc1cc(C(=O)N(C)C)sc1B(O)O	2241481021	ODKKKJYYCWGTMT-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
C=C(CS(=O)(=O)NCC(C)C)B(O)O	2241481792	VRNHWXUJSVQNLI-UHFFFAOYSA-N	221.087	-0.870	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@@H](C)Cl	2242273055	NAXGLGQGIXEXMS-ZCFIWIBFSA-N	205.641	-0.914	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC=C[C@@]1(C)CO	2242607919	CYBROZKWKLKULW-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
Cn1c(O)c(F)c(=O)n(C[C@H](Cl)C#N)c1=O	2243057733	ATOKRXCWTFSJKN-SCSAIBSYSA-N	247.613	-0.477	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cscc1B(O)O	2243347194	JDCSKMFPSVNZTP-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccsc1B(O)O	2243358136	CTMFRIGDMXFNSH-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1ccc(B(O)O)o1	2243361584	DCIOUIRHMKLKNQ-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
Cc1ccc(C(=O)NC(C)C)cc1B(O)O	2243366310	AHHXAYANAFNGOT-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@@H]1B(O)O	2243396918	SLVKMPCZIQSYIP-YUMQZZPRSA-N	223.041	-0.769	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COC[C@@H]21	2243397188	WZUCOAVMKHOEFQ-KZVJFYERSA-N	225.053	-0.903	50	10	BBGE	
COC1CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397211	XGAABFNHAQBXTQ-PEBLOWIWSA-N	227.069	-0.610	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)N1CCC1	2243397921	LKGWGXSVZFRUPO-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)oc1C	2243408786	VEDNIXFZNQVJDA-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
Cn1cnc(NC(=O)C2(B(O)O)CCC2)c1	2243410439	BNOOHRCVVGPBSO-UHFFFAOYSA-N	223.041	-0.244	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2243411012	MAUKFQTXWZIRKF-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
Cc1cc(C(=O)N2CCCO2)oc1B(O)O	2243413301	DCWFWGQDZDKUEP-UHFFFAOYSA-N	225.009	-0.955	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]2[C@]1(C)COC)B(O)O	2243810290	JTQAVHCJWWLDEN-AXFHLTTASA-N	225.097	-0.089	50	10	BBGE	
O=C(Nc1nccs1)c1cc(B(O)O)co1	2244209431	AMAZIUOYQUSFLR-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CCC1(S(=O)(=O)NCCC#CB(O)O)CC1	2244537642	MDKGHZSCQRPXCH-UHFFFAOYSA-N	245.109	-0.746	50	10	BBGE	
C#CCOC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2245517426	DBUMGAOPDNPZAQ-QWRGUYRKSA-N	224.260	-0.435	50	10	BBGE	
CCc1ccnc(NC(=O)C#CB(O)O)c1	2246097199	RHCSWDBCHQPQFS-UHFFFAOYSA-N	218.021	-0.402	50	10	BBGE	
CN(CC[C@H]1CCO1)CC1(C(=O)NN)CC1	2246209147	ISHQMVCJPQMJRB-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O	2246598694	OHSYUDXKZBQILN-YUWMTVOPSA-N	237.259	-0.993	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1coc(B(O)O)c1	2247721197	BDLAYDHXAYQFKK-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
C=C(CC)CNC(=O)c1ccncc1B(O)O	2247733975	FJMHOWNIRNCAQX-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247734932	WHFQRXLFRAGTED-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
O=C(N[C@H]1CCCCNC1)[C@H]1C[C@H](B(O)O)C1	2247792255	RPEUZLXDIKXSON-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247799226	AZKFPXNNSOEHKO-LPEHRKFASA-N	238.096	-0.822	50	10	BBGE	
CCOC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247801022	WCHUQKIVZAPRDZ-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
N[C@@H]1CCCCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247805999	LWRGVZPKKZDQKV-KXUCPTDWSA-N	240.112	-0.421	50	10	BBGE	
N[C@@H]1CCCC12CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247809118	NYQHKZVOUBDGNV-XHNCKOQMSA-N	238.096	-0.811	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247810335	WNKSHSRIFQGKJE-HTQZYQBOSA-N	235.052	-0.736	50	10	BBGE	
CN(CC1C2(CC2)C12CC2)C(=O)C#CB(O)O	2247850964	VAPNZNHGPNLHAL-UHFFFAOYSA-N	233.076	-0.350	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)C1	2247852610	WXFXSRPYWSNJSP-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
CC[C@H](O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247886733	FVDPFVULXZEWOR-LPEHRKFASA-N	241.096	-0.389	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247886771	GFKQRRVXGRBPCZ-SFYZADRCSA-N	235.052	-0.736	50	10	BBGE	
CC(C)[C@@H](N)CCNC(=O)C1CC(B(O)O)C1	2247905976	WISAZHHBIFHPCQ-RTBKNWGFSA-N	242.128	-0.271	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1cccc(B(O)O)n1	2248442808	XLVMXJLTMDSFOD-QMMMGPOBSA-N	232.048	-0.641	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1CC(N)=O	2249305501	LNAASDVLIOOAPW-XHNCKOQMSA-N	242.323	-0.659	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2249420634	WXEBFTJCPWOVEL-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCCCC1	2249427803	LKTTWIJJEGQXHY-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccncc2B(O)O)C[C@@H]1C	2255452030	CKHFASLKUOPQEX-DTORHVGOSA-N	248.091	-0.511	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2255482529	WEBHEBHGSUCCCK-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)cc2F)C1	2255501779	DTWLTGWXLXKMLH-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(NCC1CC=CC1)c1ccc(B(O)O)cn1	2255520765	OCYGCUXAXFOLEN-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ncncc1B(O)O	2255521693	ZGMPCISNYYBORO-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1cncc(B(O)O)c1	2255523820	UNNOFSOXRQSKJM-PSASIEDQSA-N	248.091	-0.511	50	10	BBGE	
CC[C@@H](NC(=O)c1ncc(B(O)O)cn1)C1CC1	2255587404	SHNFGVFEUJPRHO-SECBINFHSA-N	249.079	-0.925	50	10	BBGE	
C#CCONC(=O)c1cc(C)c(B(O)O)c(C)c1	2255793565	YZDGYUMTOUDASR-UHFFFAOYSA-N	247.059	-0.722	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1nccnc1B(O)O	2256054329	FVFWRRZWGCYRIJ-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1(C)CCC1	2257490863	IMOUPSPOFIJMKD-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)NCCC#CB(O)O)C1	2258944914	ZJDMENDUTYKCKL-SNVBAGLBSA-N	249.079	-0.663	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@]1(C)CN	2298375393	IDAFCFFTWAHMLQ-PKIKSRDPSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](F)C(=O)O	2298463607	OGMPUYDNEQPJAT-VZFHVOOUSA-N	247.031	-0.976	50	10	BBGE	
Cc1ccnc(OCC2CN(C)C2)c1B(O)O	2298946294	QZRLKVZKLLNTPN-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCC12COC2	2300366510	FGEJKLGDBBLCNC-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2301339480	UCMKGDCHHWTAMJ-MRVPVSSYSA-N	233.080	-0.979	50	10	BBGE	
CC(C)N1CCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	2301467007	OWDPDUCTRAMUKY-RKDXNWHRSA-N	240.307	-0.242	50	10	BBGE	
CC(C)n1nnnc1CN1CC[C@H](B(O)O)C1	2303104176	HUQZEXUDSAHERS-QMMMGPOBSA-N	239.088	-0.697	50	10	BBGE	
O=C([C@H]1[C@@H]2CCCO[C@@H]21)N1CC[C@H](B(O)O)C1	2303110863	DUNWSNORUHFBOC-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
CC[C@](C)(CN1C(=O)[C@@H]2C[C@H]2C1=O)C(=O)NN	2303435956	ZGANFFVXXXBFED-OPVBNTEQSA-N	239.275	-0.603	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1cc(B(O)O)c(F)cn1)C2	2303834313	DAZLPSPUHYVOHK-RDDDGLTNSA-N	236.055	-0.253	50	10	BBGE	
CCC1(O)CN(c2ccc(C=O)c(B(O)O)c2)C1	2317346089	CHBNZGLZELPMDI-UHFFFAOYSA-N	249.075	-0.860	50	10	BBGE	
C=CC1(Oc2ccc(C=O)c(B(O)O)c2)CNC1	2317351927	QHOUBXOKFRXRRS-UHFFFAOYSA-N	247.059	-0.914	50	10	BBGE	
CNC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	12175265	JTBXLVXELHDHPH-CRCLSJGQSA-N	242.753	-0.515	50	10	BBGE	
C[C@H](Br)C(=O)N(CCO)CCO	58840229	UHGQDWNEMHWOBS-LURJTMIESA-N	240.097	-0.417	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCCO1	82469922	PDLQZZBYILUSEK-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)c1occc1CN1C(=O)[C@H]2C[C@H]2C1=O	85417336	SJLFMOCRKSCKEC-KNVOCYPGSA-N	249.226	-0.612	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)CO	161005238	KLYSCCHJZPMHAD-YFKPBYRVSA-N	206.267	-0.732	50	10	BBGE	
CC(=O)Nc1nc(CC(=O)NN)cs1	196091082	LADMYTRQSREPDZ-UHFFFAOYSA-N	214.250	-0.366	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	216743300	IZUOJOKQNXSAHQ-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(F)cc1O	236184882	WQZHBSWTHBQLAH-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
CCS(=O)(=O)c1ccc(Cl)c(B(O)O)c1	238271399	WJNDXPLNEPTLTM-UHFFFAOYSA-N	248.496	-0.187	50	10	BBGE	
CS(=O)(=O)/N=C(\CCl)N1CCOCC1	253579267	ZKPUKGVINFJZTC-VQHVLOKHSA-N	240.712	-0.085	50	10	BBGE	
CN(CCCO)Cc1cccc(C(=O)NN)n1	305972090	JWZWAAHXDQRKNH-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
CCS(=O)(=O)N[C@@H]1COC[C@H]1Cl	306400370	OHMUFKCFIMNWLM-PHDIDXHHSA-N	213.686	-0.068	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@@H](CO)C1	316477001	JIVZQLJMSASYSW-RQJHMYQMSA-N	207.657	-0.573	50	10	BBGE	
C#CCN(C)CCNC(=O)NC(=O)CCl	327979885	INJVQJSNOUXPAZ-UHFFFAOYSA-N	231.683	-0.384	50	10	BBGE	
COC(=O)Cc1cc(Cl)ccc1B(O)O	379784477	RBUYFBVRRAJKPA-UHFFFAOYSA-N	228.440	-0.265	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(B(O)O)ccc1O	396026016	VMXBOFAVCWWFJK-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
C[C@@H]1OC(=O)N[C@H]1c1ccc(B(O)O)cc1F	396442240	GVOZKDSFBGRASV-SSDLBLMSSA-N	239.011	-0.325	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@@H](CC)O1	398749698	WRMVHJWAOURVKE-DTORHVGOSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)CCC(=O)NN)CO1	401590077	WBSTYGZRJUOGHP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(CCF)CC1	402785554	PERQSHMKGJLKBK-JTQLQIEISA-N	246.330	-0.412	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1CCC(=O)NN	402789958	RPHKBLOWDFJDQG-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
Cn1cnc(C(=O)Nc2ccccc2B(O)O)c1	404957787	ZRAOEVSZHPHSBH-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)CC(C)C	526870402	JFIKIXATSRCYQD-AWEZNQCLSA-N	220.294	-0.442	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(F)CC1	689093223	UQUVXUVGBDPHSL-MRVPVSSYSA-N	219.260	-0.575	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC(F)CC2)O1	689093737	YMAVJRZPSYKUBR-ZJUUUORDSA-N	245.298	-0.042	50	10	BBGE	
Cn1cc([C@H](CN)N2CCC(O)(C#N)CC2)cn1	692085328	LXHBYDTZJNKGTB-NSHDSACASA-N	249.318	-0.230	50	10	BBGE	
Cc1nn(CC(F)F)c(C)c1B(O)O	694227583	HZRRGOVXWPQYEC-UHFFFAOYSA-N	203.985	-0.555	50	10	BBGE	
C[C@@H](Cl)CNC(=O)c1nnn(C)n1	697203452	FYFIIRBQXIIZLZ-SCSAIBSYSA-N	203.633	-0.433	50	10	BBGE	
CC(C)(C)C(=O)NCCC(=O)NNC(N)=S	700841209	NXJMPOHHACEHMJ-UHFFFAOYSA-N	246.336	-0.597	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2CCOC[C@@H]2Cl)n1	706704030	CCCSHKXTQUXNNO-WDSKDSINSA-N	245.670	-0.664	50	10	BBGE	
COC[C@@H](COc1cccc(B(O)O)c1)OC	709886764	YHTAGCCZMRCCRE-NSHDSACASA-N	240.064	-0.593	50	10	BBGE	
Cl[C@@H]1COCC[C@@H]1NCCn1cnnn1	712594243	NYRWWZWENAXECH-SFYZADRCSA-N	231.687	-0.341	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)CC(=O)NN)C1	719807116	MGZKHSGRNNIFBU-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CNC[C@@H](O)C1	722410938	XUOKYRMWUKARTQ-RNJXMRFFSA-N	220.700	-0.300	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CC[C@H](C1)N2C)C(=O)NN	723698226	WIQMOOMYVPMBSQ-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
COC[C@H](C)C=NNC(=O)[C@@H]1CCC(=O)N1	863148553	DXEVBMIDWUMUCX-SFYZADRCSA-N	227.264	-0.351	50	10	BBGE	
COC(=O)NNC(=O)C1CN([C@@H]2CCOC2)C1	895512391	LVMTYFICPOOCMV-MRVPVSSYSA-N	243.263	-0.906	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)Cn1ccnc1	910148770	XISQWPVSQJACMW-MRVPVSSYSA-N	212.253	-0.773	50	10	BBGE	
CC[C@@H]1C[C@H](C=NNC(=O)C(N)=O)CCO1	1323581630	BTIMXLGXOZTJIF-HTQZYQBOSA-N	227.264	-0.221	50	10	BBGE	
CC(C)OCC(=O)NNC(=O)c1cn(C)nn1	1328576036	CDGSULZQFCXZEX-UHFFFAOYSA-N	241.251	-0.999	50	10	BBGE	
CSSCCNC(=O)C1(O)COC1	1467961414	CDWPANGCIOPARF-UHFFFAOYSA-N	223.319	-0.125	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1	1527215901	XZHFIQZRWCNHKP-IWSPIJDZSA-N	237.259	-0.137	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNc1nc[nH]n1	1654621739	KWVFAUZYUDZVNV-UHFFFAOYSA-N	207.197	-0.407	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CBr)C[C@@H]2O1	1881800133	FKWPDILXCYTEPL-UHNVWZDZSA-N	249.064	-0.300	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H](C)Br	1882885229	UGZDZPAKWBTRFS-ZCFIWIBFSA-N	247.092	-0.365	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1883635240	UQELBWSJHNYITJ-WISUUJSJSA-N	204.613	-0.840	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1C=CCOC1	1888055201	RLTLMICKKDEZLV-SFYZADRCSA-N	200.238	-0.274	50	10	BBGE	
O=C(NC[C@]1(O)CCNC1)[C@H]1C[C@H]1Cl	1893445560	DEUYAQPXVMROPB-OOZYFLPDSA-N	218.684	-0.546	50	10	BBGE	
C[C@H]1CCCN[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901338904	FECXPGXVJGMAFD-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC1(C)CNC1	1901340267	BAOVLTNWZBPRBY-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CN(NC(=O)[C@@H]1CCNC1)S(=O)(=O)C1CC1	1901340405	DKBZBRFUYQNDJX-SSDOTTSWSA-N	247.320	-0.949	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(C)CCNC1	1901376282	YKUKDPXWCZKZSJ-SECBINFHSA-N	249.336	-0.701	50	10	BBGE	
COCCCOc1cc(B(O)O)c(F)cn1	1903010610	RORMAQVYXNPZPA-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
O=C1CN(C[C@@H]2O[C@H]3CC[C@H]2C3)CC(=O)O1	1905127055	UJLAPECWQXZLIN-CIUDSAMLSA-N	225.244	-0.061	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CN=[N+]=[N-])C1	1912181592	PSEDUZIIUHVBFL-MRVPVSSYSA-N	240.267	-0.214	50	10	BBGE	
N#CC1=CCN(c2cncc(=NN)[nH]2)CC1	1917090836	SWCQCHLAVYHUJW-UHFFFAOYSA-N	216.248	-0.156	50	10	BBGE	
C[C@@](O)(C(Cl)Cl)[C@@H](N)C(=O)O	1923726436	FIGDZQNDNMRURG-VHUNDSFISA-N	202.037	-0.047	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1C[C@@H]1C(=O)NN	1927913539	KFLOUCPNPCDNFU-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
CN(CCCCO)C[C@@H]1C[C@H]1C(=O)NN	1927917223	VCLGKPSCIASRIL-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
O=C(OCCl)N1C[C@]2(CO)C[C@@]2(CO)C1	1928556280	GFVRLNUZVXBJAG-IUCAKERBSA-N	235.667	-0.004	50	10	BBGE	
CCON(CC)C[C@@H]1C[C@@H]1C(=O)NN	1928666237	WXXXVMBZCGPJNR-YUMQZZPRSA-N	201.270	-0.114	50	10	BBGE	
CN(c1nccnn1)S(=O)(=O)CCl	1929011135	KLQUCKPZTOFXJO-UHFFFAOYSA-N	222.657	-0.166	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H](O)[C@@H](F)C1	1929871599	FQVSRUXJBPETPK-WDSKDSINSA-N	231.676	-0.430	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC12CCC2	1934428637	AOJDQSDHUVWRKV-YUMQZZPRSA-N	213.281	-0.646	50	10	BBGE	
Cc1cccc(=O)n1C[C@H]1C[C@H]1C(=O)NN	1936080038	ICGFDJSHYQTGFL-RKDXNWHRSA-N	221.260	-0.217	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCCS1(=O)=O	1936087067	YDNVKNLBVUIOPW-SFYZADRCSA-N	247.320	-0.962	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@H](F)C1	1936093412	DQLVJUYUZBFDCB-BGZDPUMWSA-N	231.271	-0.983	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)C1CCC1	1936837675	ZPYOYIDNDSJYLM-UHFFFAOYSA-N	223.276	-0.359	50	10	BBGE	
C[C@H](CN1CC[C@H](C(=O)N(C)C)C1)C(=O)NN	1940303125	KYJNDDIAIQXNHD-BDAKNGLRSA-N	242.323	-0.978	50	10	BBGE	
CCC1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941084643	ILIGUQKQLIUHFC-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941089679	KWSCEKHFSXDXBF-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)C[C@H]2CO	1944028817	FSYVCJJYSWUXPX-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@H](O)C[C@@H]1C	1944581896	YBVAPJATLBJKMH-OYNCUSHFSA-N	243.307	-0.755	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@H]1CO	1953757107	OGAKHOFHRAAUIH-RITPCOANSA-N	213.686	-0.270	50	10	BBGE	
Cn1nnc(CN[C@H]2C[C@H]2CCl)n1	1954308222	OGBJKDGCIASTOK-WDSKDSINSA-N	201.661	-0.073	50	10	BBGE	
NC(=O)[C@H]1CCN(C[C@H](O)CCl)C1	1954822093	JUKBQDZEWIIOGV-NKWVEPMBSA-N	206.673	-0.607	50	10	BBGE	
C[C@](O)(CCO)CNS(=O)(=O)CCCl	1956049045	HTERWIPWPSIIHZ-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
CC(C)(C)n1nnnc1CNC(=O)NN	1961172209	HZAXBLQNRHOUPA-UHFFFAOYSA-N	213.245	-0.899	50	10	BBGE	
Cc1ccnc(N2CC(F)C2)c1B(O)O	1961690332	IAUUCPXRXDQWKW-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1nc(B(O)O)cs1	1961696983	UOLCWSYYKYZSPO-PHDIDXHHSA-N	229.066	-0.763	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)C1CC1	1961711786	HAOKXPHRJAWEBW-SSDOTTSWSA-N	207.038	-0.061	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1C[C@H]1C[C@H]1C(=O)NN	1981193001	WJNHNYXWCXDFNO-HFQIQABOSA-N	245.348	-0.935	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)n1	1981993267	OCZAABQIPWKLPW-RULNZFCNSA-N	236.105	-0.333	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(CCO)C1)C(=O)NN	1987907808	RAYXSTXWHSCMAL-KOLCDFICSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12CC(C)(CO1)C2	1990325645	UWTDKYGPNJRVIV-PUSIOWJLSA-N	227.308	-0.134	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@@H]1C[C@@H]1Cl	1991433231	PIVPYBSGLYBUDF-YUMQZZPRSA-N	247.726	-0.592	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]2C[C@H]1[C@H](O)[C@H]2O	1992719301	IZRJSOQVNVCSER-COQVWMOOSA-N	245.706	-0.044	50	10	BBGE	
COC[C@H](C)COc1ccncc1B(O)O	1995213687	FOYBLEWJXWAKLH-QMMMGPOBSA-N	225.053	-0.577	50	10	BBGE	
CCN(CCCCC(=O)NN)[C@@H]1CCNC1=O	2004312158	BJXSRPJGEXXSHB-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H](C2CCCC2)C1	2004403544	YYIIPTADDPNHLZ-VIFPVBQESA-N	241.291	-0.606	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](c2nccn2C)C1	2004406117	DVCDCJIMPMOKJW-BDAKNGLRSA-N	237.307	-0.412	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)[C@H](C)COC	2004911041	BTYGXPVYLPZFCW-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
CON(CC(C)C)c1ncc(B(O)O)c(C)n1	2004974992	SFEVIDALKJTLHF-UHFFFAOYSA-N	239.084	-0.511	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@]1(C)COCCO1	2005977838	MQBDDUGCTMOWIP-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCOCC2=O)C1	2010833123	OUMQQPCBXMHFIH-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
N#CC1=CCN(C(=O)C2=C[C@H](O)[C@@H](N)C2)CC1	2014507037	YVKDITUUPKGFEM-QWRGUYRKSA-N	233.271	-0.313	50	10	BBGE	
CN1CC[C@H](OC[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2021071200	JTCVUJJPZJBEEA-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
C=C(CN1CCOC[C@@H]1[C@H]1CCOC1)B(O)O	2021159602	VZIAMIRAPHYURX-WDEREUQCSA-N	241.096	-0.708	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](OCCCO)C1	2026093318	FYNHJEBPZOFDQD-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
O=C(CN1CCCC1)Nc1cccc(B(O)O)c1	2031515172	GGIRLNUNJULDPD-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3COC[C@@H]3C2)n1	2052551851	KIKPUSRZCMGHCR-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3CO[C@@H](C3)C2)n1	2052557826	RHYWXLHASLQIJJ-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
COc1nc(N2C[C@@H]3CCC[C@@H]32)ncc1B(O)O	2052626320	CGJGLZMKIKCPLF-CBAPKCEASA-N	249.079	-0.846	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](O)(c2ccccc2)C1	2057335143	HKRLRGIEXYWYJR-ZWNOBZJWSA-N	249.314	-0.042	50	10	BBGE	
CCOc1c(C=O)ccc(OC)c1B(O)O	2060133103	SZVLBPDZIRNANG-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCOc1ccc(C#N)c(F)c1B(O)O	2060175167	YVXOYLGZZQISMT-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
OB(O)c1ccc(CN2CCCO2)s1	2209687254	ZOAOHMFICKIAPJ-UHFFFAOYSA-N	213.067	-0.435	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1nccc(B(O)O)c1F	2212602900	ABNGRNAIGPWMFK-XPUUQOCRSA-N	224.044	-0.255	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@@H]1CC[C@H]1C(=O)NN	2215776236	LPNFSDVWNXEEAZ-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CN(C[C@H](O)C1CC1)C[C@@H]1CC[C@@H]1C(=O)NN	2215776523	NIUWVFXNECPYLK-DCAQKATOSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC1(O)CCC1	2215777145	QVCBTKLWEDMLDB-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]1(F)CCOC1	2216336865	AVLJXWFOEMHRML-SNVBAGLBSA-N	247.270	-0.786	50	10	BBGE	
C[C@@]1(O)CCN(CC2(C(=O)NN)CCCC2)C1	2216871341	NBWFPYCKSQPDCC-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](C[C@@H](C)O)Nc1cc(B(O)O)ccn1	2217177999	PXEGZADDFANMHS-PSASIEDQSA-N	238.096	-0.277	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1c1ncccc1B(O)O	2217178320	ULDQOHCNOGMZAO-IUCAKERBSA-N	236.080	-0.889	50	10	BBGE	
OC[C@@H](CC(F)F)Nc1cc(B(O)O)ccn1	2217178360	VCZRWIPAWCUXDP-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
C#C[C@@H](Nc1nccc(B(O)O)c1F)C(C)C	2217180345	SFRXSMKJKOTMMU-SECBINFHSA-N	236.055	-0.030	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2COCC2(F)F)nc1	2217185095	UAVKTAHANIODGR-SSDOTTSWSA-N	244.006	-0.793	50	10	BBGE	
OB(O)c1ccnc(N2CC3CC(F)(C3)C2)c1	2217195701	MQQLYECTXRIBCE-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CCCC[C@@H](CN)Nc1ccc(B(O)O)cn1	2217200000	QEEIVSVZZRWIMA-JTQLQIEISA-N	237.112	-0.309	50	10	BBGE	
CC1(C)COC[C@@H]1Nc1ccc(B(O)O)cn1	2217203509	WCHYJAFZSRWTAW-VIFPVBQESA-N	236.080	-0.402	50	10	BBGE	
COc1ncccc1Nc1ncccc1B(O)O	2223678030	WGELLUPHGGQBEY-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
Cc1nc(NC(=O)c2cccc(B(O)O)c2)no1	2224122212	VOZKTCZCOLXVBK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CCCN(CCC(=O)NN)C[C@H](C)O	2242086264	BIIFOEOHYZUXOX-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
O=C1C[C@H](N[C@H]2C[C@H](Br)C2)C(=O)N1	2242384627	NGIYGFAYZMGKIQ-ZLUOBGJFSA-N	247.092	-0.083	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2242833438	NRURBKUTQOXEJL-NGZCFLSTSA-N	227.308	-0.542	50	10	BBGE	
CCN(CCC(=O)NN)CCN1CCCC1	2242849477	HSZCWDMBXAHFCO-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2CCC[C@H]21	2243361585	DCWNYKPRQNVGDN-IVZWLZJFSA-N	221.065	-0.303	50	10	BBGE	
CC(C)OCCCN(C)C(=O)C#CB(O)O	2243361751	GPTZNPYJTKFNSE-UHFFFAOYSA-N	227.069	-0.725	50	10	BBGE	
O=C(N1CCCNCCC1)C1(B(O)O)CC1	2243364472	XOLJHDSMYIUGOL-UHFFFAOYSA-N	226.085	-0.795	50	10	BBGE	
O=C(Nc1nccnn1)[C@H]1C[C@@H](B(O)O)C1	2243382506	OPNFYMKGXFWEFK-OLQVQODUSA-N	222.013	-0.937	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)CCCSC1	2243398477	FHQSITIAOZBYEX-SNVBAGLBSA-N	241.121	-0.349	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243408641	QXHQNZUDCQHIKA-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC(C)(CN)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243416769	MZLPGBNORXXNJV-OCAPTIKFSA-N	228.101	-0.660	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1CC12CCC2	2243600252	VAJKLNWCSVXTSO-RKDXNWHRSA-N	221.065	-0.303	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)c(F)c1	2243686852	QNVNZBUEKNRTQL-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
CSCCOc1nc(C)nc(C)c1B(O)O	2244781028	IDWJCLACVIGPLA-UHFFFAOYSA-N	242.109	-0.485	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1CC(F)(F)C1	2246836199	TWCNLHYQGAMAIM-SSDOTTSWSA-N	246.022	-0.252	50	10	BBGE	
CC(C)[C@@](C)(O)CNC(=O)C1(B(O)O)CCC1	2247733002	KMSDJNQYMXSYSL-JTQLQIEISA-N	243.112	-0.093	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C(F)(F)C12CCCC2	2247738234	OQLLCSWMGIMPRC-QMMMGPOBSA-N	243.018	-0.304	50	10	BBGE	
Cc1ccc(C(=O)NOCCF)cc1B(O)O	2247753005	ZWFNVJVYTUORMX-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(B(O)O)CC1	2247755820	KAMQKGMIUAJMLD-PSVAKVPMSA-N	238.096	-0.526	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccc(B(O)O)cn1	2247770312	ODNHUABTUPTBNZ-SSDOTTSWSA-N	240.043	-0.761	50	10	BBGE	
CCn1cncc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247790854	JYHHDRHEMIHJHT-DTWKUNHWSA-N	237.068	-0.618	50	10	BBGE	
O=C(N[C@@H]1CNCC12CCC2)[C@@H]1C[C@@H]1B(O)O	2247799673	GTGLYRPXYPDLOA-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
CCCN(O)C(=O)c1nccc(C)c1B(O)O	2247800404	OSJMDYMPXHCNSU-UHFFFAOYSA-N	238.052	-0.689	50	10	BBGE	
CN(C)CCCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247807991	JOVOGZSTMNUBIN-VHSXEESVSA-N	242.128	-0.351	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@H]1B(O)O	2247809907	SJMDQJHFLPVMBY-LIKBTPFBSA-N	239.080	-0.875	50	10	BBGE	
CCc1c(NC(=O)[C@@H]2C[C@@H]2B(O)O)cnn1C	2247858283	CHTOQLFNWVBPFN-RQJHMYQMSA-N	237.068	-0.216	50	10	BBGE	
Cn1[nH]c(=NC(=O)[C@H]2C[C@H](B(O)O)C2)cc1F	2247859115	KMGISVKPPGEOSI-IZLXSQMJSA-N	241.031	-0.827	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccoc1B(O)O	2247869753	XVZSPRXLSMNJCC-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CCCCN(O)C(=O)c1cc(B(O)O)cn1C	2247873422	JGZYYYJVKKULOI-UHFFFAOYSA-N	240.068	-0.664	50	10	BBGE	
O=C(NC[C@]12COC[C@H]1C2)C1(B(O)O)CCC1	2247874197	KGAPARWGOKPRHZ-PSASIEDQSA-N	239.080	-0.464	50	10	BBGE	
Cc1cc(C(=O)NN(C)C)cc(C)c1B(O)O	2247892550	CUCNTMAWERDFNG-UHFFFAOYSA-N	236.080	-0.810	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)cc2F)CC1	2248240887	ABEBEIWBGHKNLP-UHFFFAOYSA-N	238.027	-0.361	50	10	BBGE	
C=CCC(=O)N(C)Cc1cccc(B(O)O)c1	2248396551	AVQDFHFSFRVKAJ-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
C=CCC1(NC(=O)c2cc(B(O)O)co2)CC1	2249406479	DKMHLAJTXBBLKV-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2249410192	XUSMAMDSJUKNDW-RKDXNWHRSA-N	237.064	-0.266	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1cocc1B(O)O	2249423402	JQHDMNLSNLRIOV-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
O=C(C[C@@H]1C[C@H]2C[C@H]2C1)NCCC#CB(O)O	2250004169	HLZZUCNQEGNXEB-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
O=C(O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2250558548	IQZWZBNCWIOUCR-YUMQZZPRSA-N	241.052	-0.685	50	10	BBGE	
CCC1(Oc2cc(C)c(B(O)O)cn2)COC1	2250790472	OMESRUYNONPGCW-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1c(NC(=O)c2coc(B(O)O)c2)cnn1C	2255450369	WKYFQSMZTNYAJZ-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccncc1B(O)O	2255455873	GROROVFPVWDVFO-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255464199	SUWFDIFSHHQTHB-CBAPKCEASA-N	247.063	-0.883	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1cc(B(O)O)c[nH]1	2255476066	GINHXODSFREVOU-QMMMGPOBSA-N	248.091	-0.386	50	10	BBGE	
CC1=CCN(C(=O)c2nc(C)ccc2B(O)O)C1	2255482431	UYQZGDAYOIOSKV-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255520771	OFLJSCXKXVLUMV-JTQLQIEISA-N	248.091	-0.224	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@H]1C[C@@H](B(O)O)C1	2255562220	RUMIZDFBWFZZEE-AJARWYCESA-N	247.103	-0.134	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](C#N)C2)oc1B(O)O	2255573904	TTYDNGNXBHUHPO-QMMMGPOBSA-N	248.047	-0.747	50	10	BBGE	
Cc1cnc(C(=O)NC2CCCC2)c(B(O)O)c1	2255790429	XYEHCQAKKJFPLC-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2258143195	VGOCRWREMYBPGN-SOCHQFKDSA-N	249.075	-0.170	50	10	BBGE	
Cc1nnccc1NC(=O)c1cocc1B(O)O	2258145461	PNHQNEOXXUFNMJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1cc(B(O)O)co1	2258153889	YVDGZXVLCQYKJA-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2297960915	DICTTYYUIYLCIG-GEVSDDDWSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H]2C[C@]2(O)C1	2298166203	AAULTEQDCJKYHU-SVDPJWKOSA-N	239.319	-0.541	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298377186	HMFLZLDDPKXEJZ-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2298377358	NTRGZXHIINTMIP-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2=O)C1	2301874893	AXTMRZXPTIJKMP-IWSPIJDZSA-N	243.282	-0.037	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C[C@@H]1CCO1	2302382561	HLBBLOXPRDQUMJ-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C=C(C)CC(=O)NCc1cccc(B(O)O)c1	2302849083	KGSGQMBSBCELSC-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2n[nH]c3c2CCC3)C1	2303155830	CDSNDBUUHUVCHF-QMMMGPOBSA-N	235.096	-0.053	50	10	BBGE	
CCN1CC[C@@H](N2CC[C@](C)(B(O)O)C2)C1=O	2303159452	GEDKUHBBOKGRFK-KOLCDFICSA-N	240.112	-0.454	50	10	BBGE	
CC[C@](C)(Cn1cnc([N+](=O)[O-])n1)C(=O)NN	2303430581	CWAMAHRUWIKRHN-MRVPVSSYSA-N	242.239	-0.408	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H]1CO	2317150058	ADWQHHKWJKRMNJ-KWQFWETISA-N	246.075	-0.579	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cc2C#N)CN1	2317163642	YRILGWPBYLSSAD-KCJUWKMLSA-N	245.091	-0.600	50	10	BBGE	
NNC(=O)CN1CCN(c2nccs2)CC1	82466362	NVDBBROECIAKIJ-UHFFFAOYSA-N	241.320	-0.745	50	10	BBGE	
NNC(=O)CCCSc1n[nH]c(N)n1	82472944	QMMHGGUFRDBAEU-UHFFFAOYSA-N	216.270	-0.751	50	10	BBGE	
CN(C)/C=C(/C#N)[C@](O)(NN)C(F)(F)F	83315153	LYYDRFAHKXBQKD-WWVFMHICSA-N	224.186	-0.330	50	10	BBGE	
CC[C@H](C)C[C@H](C)NC(=O)C(=O)NN	83866842	QRFKABHDLGSTDV-BQBZGAKWSA-N	201.270	-0.083	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NCC(N)=O	86550078	WPOTUCQGHYWHSG-YFKPBYRVSA-N	228.701	-0.734	50	10	BBGE	
CCN(CCO)Cc1ccc(C(=O)NN)cn1	94763764	FWMLHLWUJVJKTH-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
Cc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)NN	111762236	ZXHDQGFTISSYDJ-UHFFFAOYSA-N	247.254	-0.177	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CCS1	123820659	CBJWSEVUQFFTHB-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)O1	159712994	HZYJAZLHQUMICD-YUMQZZPRSA-N	229.280	-0.737	50	10	BBGE	
N[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1B(O)O	195848235	IEFBZGWJGRMSDE-VGMNWLOBSA-N	226.085	-0.883	50	10	BBGE	
OB(O)c1cncc(N2CCCCC2)c1	203613888	QTRVNBXUVXUZPK-UHFFFAOYSA-N	206.054	-0.248	50	10	BBGE	
OB(O)c1ccc(COC2COC2)cc1	218891917	VMDAKAOIHQEKIO-UHFFFAOYSA-N	208.022	-0.718	50	10	BBGE	
OB(O)c1cccc([C@@H](O)C(F)F)c1	223414620	CZRFQLGQCWZIFC-SSDOTTSWSA-N	201.965	-0.335	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@](C)(O)CC1	230383953	MMKMUJSHVJNPMG-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
Cn1cc(COc2cccc(B(O)O)c2)nn1	236098363	FUAHZJGBHKOWSF-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CC[C@H](/C=N/NC(N)=O)[C@](C)(O)C(=O)O	238282703	OXQLQXWQNCPHBO-ZTTSZSMRSA-N	217.225	-0.498	50	10	BBGE	
CN(CC(=O)NC(=O)N(C)N=O)N=O	363075896	RGNXQXXHJDICIY-UHFFFAOYSA-N	203.158	-0.551	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C[C@@H](C)C(=O)NN	384897995	MWWNWZFUQMDWPS-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CSC[C@@H]1C	389653192	XJIPYPZGODGZJO-XPUUQOCRSA-N	231.321	-0.505	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NCC(=O)NNC(C)=O	393784944	SXNMASZGQIPCQE-APPZFPTMSA-N	231.296	-0.850	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1CC(C)=O	396136545	IPVUGVCMGKWQQP-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
O=C(O)c1cc2cc(B(O)O)sc2cc1O	396375450	CQBGAGDZRIXQMG-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
Cc1ccc(OCc2cncn2C)c(B(O)O)c1	401788809	MEVPNFBSOOWMBF-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
NNC(=O)C(=O)Nc1cncc(Cl)c1	606282877	DFJQUXNLENPYML-UHFFFAOYSA-N	214.612	-0.337	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C[C@H](C)CO	688402385	OZZWNZYEKMHOSI-VHSXEESVSA-N	231.340	-0.049	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COC[C@@H]2O)CC1	692125073	ZIKGSTAMUZJVEN-BDAKNGLRSA-N	212.249	-0.903	50	10	BBGE	
CCN(C[C@@H](C)O)[C@H](C(=O)NN)C(C)C	692176636	ZPQJYUFTIUXDIQ-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCNC(=O)[C@@H]1C	695104087	OGMNWDICYIJFST-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)c1cc(CN2CCNC2=O)cs1	701811550	QALSNXKCMAASHZ-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
CO[C@H]1CCCC[C@H]1n1ccc(B(O)O)n1	703688876	YTXQFERJQYPNHX-BDAKNGLRSA-N	224.069	-0.307	50	10	BBGE	
OB(O)c1cnn(CCOCC2CCCC2)c1	703742401	SRUNTCSUBVKLGY-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
CNNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	704644482	MAMYYQPVONLEPL-HZGVNTEJSA-N	229.305	-0.309	50	10	BBGE	
CN(N)C(=O)CCN1CCSC1=O	704672143	FBUSMHAVTXINOA-UHFFFAOYSA-N	203.267	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1Cl)c1cnn[nH]1	706689108	WONBERVSAYFHLO-NTSWFWBYSA-N	230.655	-0.069	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C[C@@H](C)C1	707564211	LBPKWYNSIHZTRQ-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	707564840	PWEHLKPHCARDTJ-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]2COC[C@@H]21)C(=O)NN	711043417	XPKNUENQLOFHEN-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
Cl[C@H]1COCCN(CCn2cnnn2)C1	712595371	XYAXYNRFBVDATP-MRVPVSSYSA-N	231.687	-0.387	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC2CC2)O1	713292336	YOYWMFURGMINAB-YUMQZZPRSA-N	200.238	-0.297	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)CCCCl	717356601	QSHBSLIJXUMELC-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H](CN(C)Cc1ccn(C)n1)C(=O)NN	723524828	VSUNPRLSGPUCKE-QMMMGPOBSA-N	225.296	-0.522	50	10	BBGE	
Cc1nc(CNC(=O)NNc2ncccn2)no1	745855776	ZHTMRZJYSAYOHT-UHFFFAOYSA-N	249.234	-0.006	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	819663852	KHUDKLMAVMXONA-RITPCOANSA-N	218.278	-0.590	50	10	BBGE	
O=C(CCCF)NNC(=O)c1cnn[nH]1	826583980	OKABVQRPSJHRMK-UHFFFAOYSA-N	215.188	-0.685	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)[C@H]1CCCO1	868551105	QRNGYNLDJZDKPV-SSDOTTSWSA-N	239.231	-0.077	50	10	BBGE	
CC(C)(C)OCC(=O)NNC(=O)c1ncon1	1134614202	HFCYLCDVJKLIIT-UHFFFAOYSA-N	242.235	-0.354	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@@H]1C	1261100301	MZBFJPBOJAPUMB-NTSWFWBYSA-N	229.236	-0.712	50	10	BBGE	
CNC(=O)NNC(=O)c1cncnc1C1CC1	1292009241	BLLWLXVYBGNMBX-UHFFFAOYSA-N	235.247	-0.072	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CCCCC#N	1332924512	RSYWPEAODZCFNU-UHFFFAOYSA-N	226.280	-0.221	50	10	BBGE	
Cc1nnc(CCC(=O)NN(C)C[C@@H](C)O)o1	1450940537	GKHSVWRTKAMCDV-SSDOTTSWSA-N	242.279	-0.346	50	10	BBGE	
O=C(NCc1ccc[nH]1)c1ccc(B(O)O)cc1	1630071431	FPGJBDOPWZJINJ-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1cccnn1	1651057800	OHIVCBUGRNLBRS-SNVBAGLBSA-N	238.247	-0.601	50	10	BBGE	
C/C(C#N)=C/Cn1nc(C(N)=O)ccc1=O	1651794818	VJHMAYQMNPBEMA-DAXSKMNVSA-N	218.216	-0.188	50	10	BBGE	
NCC#CC(=O)NC1CC(Br)C1	1880964985	RAIWCONRYXCDEU-UHFFFAOYSA-N	231.093	-0.009	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@H]1CN	1882782203	OBUCDNSFZMDYQP-FXQIFTODSA-N	203.673	-0.489	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552812	OKUAWHASHHKOCX-JRTVQGFMSA-N	206.673	-0.562	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2C[C@@H]2Cl)C1=O	1883568034	SYTFXZJSIUCWJQ-DMTCNVIQSA-N	202.597	-0.308	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CCCCC(=O)NN	1885891015	ZGMOZZHXRDSRJT-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
O=C(O)C(NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475500	UYVJVUYBSYKEIY-HRFVKAFMSA-N	221.596	-0.732	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)[C@H](O)CO	1893505471	VYFTXAIWVLYKRU-SRGUAZEISA-N	221.640	-0.834	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCCl)C[C@@H]1O	1894992336	OZWGLEHTBJJVML-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@@H]2CCO[C@@H]21	1895438272	ADXYGWYTHAMAGZ-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cnsc1B(O)O	1900475451	UWUYDJBDIHNNBN-IYSWYEEDSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1Oc1ncncc1B(O)O	1901084329	OXOWSFPLPMJWJF-RNFRBKRXSA-N	222.053	-0.420	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(CCO)C1CC1	1901753319	TTXBHURASCBFHC-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CN(C)CCCC(=O)N1CC[C@@H](B(O)O)C1	1902514798	YAMZMLRLQCJRMK-SECBINFHSA-N	228.101	-0.597	50	10	BBGE	
OB(O)c1csc(CO[C@H]2CCCOC2)n1	1902658841	UKJPOIKXQQMKIY-ZETCQYMHSA-N	243.093	-0.482	50	10	BBGE	
CC[C@@](C)(CN1CCN(C)C1=O)C(=O)NN	1902727722	DAVASXRUWAPLAV-JTQLQIEISA-N	228.296	-0.240	50	10	BBGE	
Cc1scc(C(=O)N2CC=CC2)c1B(O)O	1902869260	WBEMBKUUBKBCHW-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
COC[C@@H](OCP(C)(C)=O)C(=O)NN	1905141378	CHLRJCVFFZHNSP-ZCFIWIBFSA-N	224.197	-0.412	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1CC(O)C1	1914572778	FWZDFMOTEITSCR-UEJVZZJDSA-N	215.297	-0.400	50	10	BBGE	
O=C(NC[C@H](O)CF)NNC(=O)C(F)(F)F	1923225609	BSUZBZLCBMVRGN-GSVOUGTGSA-N	247.148	-0.791	50	10	BBGE	
CN(C)S(=O)(=O)NNC(=O)OC(C)(C)C	1923390757	VKPUKDSKUHMFBR-UHFFFAOYSA-N	239.297	-0.178	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCOC1	1927913801	NFHUDBHIYZUSFE-CIUDSAMLSA-N	213.281	-0.667	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@H](F)C2)n1	1930620371	CPCWDUUTLLDPFR-YUMQZZPRSA-N	212.033	-0.299	50	10	BBGE	
CCC(F)(F)CCn1ccc(B(O)O)n1	1932978371	KXJUHQOQONAEBQ-UHFFFAOYSA-N	218.012	-0.002	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1935286567	OCYDZBJRAFMGCU-MAUMQABQSA-N	213.281	-0.790	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)Cn1cccn1	1937157660	MAKXIBYWLMESAK-SSDOTTSWSA-N	245.666	-0.220	50	10	BBGE	
CC12COC(Cn3cc(B(O)O)cn3)(C1)C2	1937712932	MNMHJVSAAHGZKP-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)CCOCC(=O)NN)CO1	1941772792	NTEGSRPWJQVAJN-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CCC(=O)N(CCOCC(=O)NN)CC1	1941780834	UQCDOZBUWVFUFU-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CC3)CO2)c1	1944592366	AVNGJGOEXQNANT-UHFFFAOYSA-N	233.076	-0.106	50	10	BBGE	
CN1CC[C@H]([C@H]2CC(=O)OC2=O)CC1=O	1951739411	OZZATOBEZSKAKR-NKWVEPMBSA-N	211.217	-0.056	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@H](N)[C@H](O)C#N	1953031746	RRJCGQGAPIONGN-RQJHMYQMSA-N	224.220	-0.909	50	10	BBGE	
C[C@@](O)(CCO)CNS(=O)(=O)CCl	1954725195	OWVULNABIIHFRK-ZCFIWIBFSA-N	231.701	-0.765	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)[C@@H](C)C1	1959005855	BQXIJLPTKWXGQT-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1959866787	VIWHLLKZUFWAQS-POBXSPIYSA-N	220.219	-0.109	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]1C(F)F	1961505262	GUHGATQJCHOHHT-XVMARJQXSA-N	219.235	-0.048	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1962096328	AABZGOITTGLPLA-XUTVFYLZSA-N	209.249	-0.767	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CCC(B(O)O)CC2)CO1	1971372988	PTMHORCGMRELNE-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCC[C@@H]21	1978773124	AIZSMZYVFYNCPW-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2cnn(C)c2[C@H]1C	1980303416	XERRGKAUONVKEF-RNFRBKRXSA-N	223.280	-0.325	50	10	BBGE	
NNC(=O)CCN1C[C@]2(CCOC2)CC1=O	1980810882	DISKCFQGXDBGPF-JTQLQIEISA-N	227.264	-0.995	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1ccc(B(O)O)cn1	1981415399	DKMSCXGXBBHTJM-WPRPVWTQSA-N	220.081	-0.004	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C2CSC2)n1	1981446525	ZHEYNALEYWZVMU-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@@H]32)ccc1B(O)O	1981469097	MRJASNUGFAXWBG-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CCN(C)C)C1	1983327013	HSSOSGQBAMLKLB-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cnn(CC2CC(C3CC3)C2)c1	1983358919	KJFSIXZOJOCJRW-UHFFFAOYSA-N	220.081	-0.001	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)S(C)(=O)=O	1985352749	XWHFEIMFNBCFDK-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
COC(=O)c1ccc(CC#N)cc1B(O)O	1987136030	KZQWVOQKNIVXPZ-UHFFFAOYSA-N	219.005	-0.781	50	10	BBGE	
CCc1nnsc1C(=O)NCC=CB(O)O	1991328031	CVAQBFHSBUVAJR-UHFFFAOYSA-N	241.081	-0.602	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2COCC2(F)F)CC1	1991601355	GCJFVDKHNVUDKD-ZCFIWIBFSA-N	236.218	-0.193	50	10	BBGE	
CN1C[C@H](CNC(=O)/C=C/C(=O)Cl)CC1=O	1991706961	VXKCETZXLGSJSS-AIYRYJHASA-N	244.678	-0.098	50	10	BBGE	
C=C(CN(C)C[C@H]1OCCO[C@@H]1C)B(O)O	1992160540	XUMQVEOTIKOTCR-NXEZZACHSA-N	229.085	-0.710	50	10	BBGE	
Cc1nc(OCP(C)(C)=O)ncc1B(O)O	1994803811	CKFGYJGUVXMCKD-UHFFFAOYSA-N	243.996	-0.576	50	10	BBGE	
CC(C)COC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1996707013	DENDCFZHJQLKSQ-KOLCDFICSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(C1CCC1)C1COC1	1998394949	XUQLWDPIJJGBBP-KCJUWKMLSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CN1CC(=O)N(C2CC2)C1=O)C(=O)NN	2004007360	XBCPPSLMAJEOEK-ZCFIWIBFSA-N	240.263	-0.961	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H](CF)C2)nc1	2004918959	SDRNUTLTTAFGQE-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
CC1(C)C[C@@H](Oc2ccncc2B(O)O)CO1	2004950357	FACLXPOSPSHODV-MRVPVSSYSA-N	237.064	-0.292	50	10	BBGE	
Cc1ncnc(N2CCCCCC2)c1B(O)O	2004972811	LITNUTFRFVNSEA-UHFFFAOYSA-N	235.096	-0.155	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@]12CCOC2	2008874468	WULCWOLMFRQLEJ-SECBINFHSA-N	249.261	-0.134	50	10	BBGE	
Cn1cnc2cccc(C(=O)NNC(N)=O)c21	2012301322	HLRKOYBVAGSMKN-UHFFFAOYSA-N	233.231	-0.114	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012894248	ALRKAIFYTLPELJ-VPOLOUISSA-N	241.335	-0.296	50	10	BBGE	
CCOC1CN(c2ncc(F)cc2B(O)O)C1	2014916783	FIVUZUGEQLZRSF-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CO[C@@H](C)CN(C)c1ncc(F)cc1B(O)O	2014926190	JZNOTGNMKLXSIT-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCO[C@H](C)C1	2019210985	OWMJXXSFTJFDEZ-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccncc2B(O)O)CCO1	2025212682	TXNTVBQLJZDHFO-DTWKUNHWSA-N	237.064	-0.292	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@H]1CO)c1ccccc1	2031686803	PPXBNRYRYJQLBZ-NWDGAFQWSA-N	249.314	-0.173	50	10	BBGE	
NNC(=O)C1(Cn2nnc(-c3ccco3)n2)CC1	2033728599	UMPLAFFDGTYJST-UHFFFAOYSA-N	248.246	-0.297	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]2C1	2052470459	DWGBGDNOLGBFKB-IVZWLZJFSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnccc1N1CCC2(CC1)COC2	2057429435	OLWOVEMKWFXKJK-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
OB(O)c1cccc(COCc2ncccn2)c1	2080319627	UXLWOGKWMGZQES-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
O=C(CCl)N1C[C@H]2COC[C@]2(CO)C1	2209563532	VAJURZNELRGMIN-IONNQARKSA-N	219.668	-0.308	50	10	BBGE	
C=C=CCCN=c1[nH]ccc(B(O)O)c1F	2212604760	SGQXLUIQBUXXBA-UHFFFAOYSA-N	222.028	-0.535	50	10	BBGE	
C[C@H]1C[C@@H]1CCN(C)c1ncc(B(O)O)cn1	2215321780	NENFPTUWQAFIBA-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@]3(O)C2)CCC1	2216495092	JZRKEDBJMPNGEY-SKDRFNHKSA-N	239.319	-0.397	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(CC1(C(=O)NN)CC1)C2	2216676634	HUSPJGKRKRVHSV-JOYOIKCWSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CC1(C(=O)NN)CCCCC1	2216873577	YLWIILHYRRMKOS-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCNC1	2217172997	NUZJZVTWYYTEPK-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H](CCO)CCNc1ncccc1B(O)O	2217177752	MUXVAPHWGBBJDZ-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCCN2)nc1	2217180824	WEEXYVRDPSDCGG-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
CCNC[C@H](CC)Oc1ncccc1B(O)O	2217182955	FAHXTQKAGZRKPU-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
C=CC[C@@H](CN)COc1ncccc1B(O)O	2217184125	MWXYVNCRDBXHCM-VIFPVBQESA-N	236.080	-0.709	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@@H]2CCN2)cc1B(O)O	2217184749	VWPKYESFZVFKKG-WPRPVWTQSA-N	236.080	-0.801	50	10	BBGE	
Cc1ncnc(N(C)C2C[C@@H]3C[C@H]3C2)c1B(O)O	2222774327	QDQDDHBVKJIRGG-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ncccc2B(O)O)[C@H]2C[C@@H]21	2223639493	RMUWSASUSVYRQY-DKIAZLNASA-N	248.091	-0.810	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2223643411	VRUNMKDEKWLWRR-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCN[C@H]2C2CC2)c1	2223663273	OJHOJAGQVIFMLK-JQWIXIFHSA-N	248.091	-0.719	50	10	BBGE	
Cc1cncc(CN=c2ccc(B(O)O)c[nH]2)c1	2223667974	UKZGACRQRQQVCQ-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
CC1(CCNC(=O)C2(B(O)O)CC2)OCCO1	2241473809	QJGZJTOMEWJOIK-UHFFFAOYSA-N	243.068	-0.737	50	10	BBGE	
CCC[C@@]1(NC(=O)NN)CCNC1=O	2242248135	JGUNNSNMIMLCAQ-MRVPVSSYSA-N	200.242	-0.782	50	10	BBGE	
OB(O)c1cc(NC2CC2)ncc1Cl	2242391768	LAHZOBYZOUEWQJ-UHFFFAOYSA-N	212.445	-0.011	50	10	BBGE	
O=C(NCCOC(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243395735	BHFDWPXCFMXYRR-UHNVWZDZSA-N	240.974	-0.498	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(C2CC2)no1	2243404162	KIRLUEKGCCBXPE-UHFFFAOYSA-N	219.993	-0.494	50	10	BBGE	
CC[C@H]1CC[C@@H](CNC(=O)C#CB(O)O)O1	2243404974	XNJNTRRVCIAJRC-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1F)C1CC(B(O)O)C1	2243414094	TWBSDGRHYUWSFB-CRYROECRSA-N	231.032	-0.908	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC[C@@H]2COCCN2C)C1	2243502204	HAJPXLCKKCYFTR-OUAUKWLOSA-N	247.770	-0.172	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1coc(B(O)O)c1	2244008242	WNIGVDNOEUFYEQ-LJGSYFOKSA-N	243.455	-0.541	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CSCCO)(C1)OC2	2245520155	FUYINCRJZCVXJV-UWVGGRQHSA-N	246.332	-0.359	50	10	BBGE	
CCN1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247734920	WCYPXNZYPVWHLN-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)s2)C1	2247739974	DOEIIKFUXJUNTK-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CCC[C@H]21	2247743440	DJBKVFGSXJVHKU-JGVFFNPUSA-N	235.048	-0.416	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)[C@H]1C[C@@H](B(O)O)C1	2247787441	PDHRFAACXIWSIQ-AEJSXWLSSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](O)C2(CC2)C1	2247787821	VLAMLNNDIGUCQW-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
CN(C)C[C@H]1CCN1C(=O)C1CC(B(O)O)C1	2247799677	GTVBGIHPLANSJC-UDNWOFFPSA-N	240.112	-0.598	50	10	BBGE	
Cc1nc(CNC(=O)C2CC(B(O)O)C2)no1	2247800943	VIIYPWKQEPSBJA-UHFFFAOYSA-N	239.040	-0.753	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247806895	GTWMVHGQLGCDIX-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)cc1C	2247852033	NYCCCCWLKDVNOS-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1C[C@H]1C	2247867708	LCCACDSNZLCZGZ-HTRCEHHLSA-N	237.064	-0.346	50	10	BBGE	
O=C(N1C[C@@H](O)[C@H](C2CC2)C1)C1(B(O)O)CC1	2247878794	NIGWJNHZVMMDFY-DTWKUNHWSA-N	239.080	-0.777	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CO	2247886304	ALUKKBBRPOEPCF-DJLDLDEBSA-N	241.096	-0.674	50	10	BBGE	
CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247887987	UOBVHTGPLVKTRW-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
CC(C)(C)N(CCCO)C(=O)[C@H]1C[C@H]1B(O)O	2247899158	KXWPJMMOZPFZIP-DTWKUNHWSA-N	243.112	-0.141	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1ccccc1B(O)O	2248414972	SLGZDXJPPDFOQQ-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
CC(C)(CCC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248574702	UPMJJDIEQOYPFG-RNFRBKRXSA-N	243.068	-0.391	50	10	BBGE	
CC[C@@H]1C[C@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248575099	DYLNOTRWLXPKPU-LHLIQPBNSA-N	241.052	-0.637	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1cocc1B(O)O	2249424111	OJMJUGXZDBZKSV-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(B(O)O)cc1	2249505307	OSRXFDBYVKJBDI-UHFFFAOYSA-N	235.048	-0.444	50	10	BBGE	
O=C(CCc1ccco1)NCCC#CB(O)O	2250009119	URHVQUJNPIFZSD-UHFFFAOYSA-N	235.048	-0.266	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C(=O)C1(B(O)O)CC1	2250595169	HHRAPGPLXCGQBJ-VIFPVBQESA-N	243.112	-0.141	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251003712	VXJLDZRSGHIEGT-YDYPAMBWSA-N	241.096	-0.389	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1ccoc1B(O)O	2255464844	BQMNYOLVYAALNH-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CCCC[C@@H]21	2255481073	BXIHJMZHLUYEHI-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
Cc1cc2n(n1)CCN(C(=O)C1(B(O)O)CC1)C2	2255486386	ZTVPKIOUGBZYBA-UHFFFAOYSA-N	249.079	-0.459	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3C[C@H]3C2)ccc1B(O)O	2255510233	UACQIJGVTPAQOV-QWRGUYRKSA-N	245.087	-0.233	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccc(B(O)O)cn1	2255517296	BFDYIKMCMGPETM-JTQLQIEISA-N	246.075	-0.400	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1cncc(B(O)O)c1	2255521894	CIDLCNHENUSMRA-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(Nc1cnc2nccn2c1)[C@H]1C[C@H]1B(O)O	2255562855	AFYSNKAMDGPJLK-JGVFFNPUSA-N	246.035	-0.469	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC=CC12CCC2	2255581655	CEUVJJQSIONIRC-UHFFFAOYSA-N	247.063	-0.976	50	10	BBGE	
O=C(C#CB(O)O)N(Cc1ccccn1)C1CC1	2255679303	GIASFYBEBKEXLE-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(F)cc1B(O)O	2255686808	XEBURHPONQQTPP-JTQLQIEISA-N	249.050	-0.212	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1coc(B(O)O)c1	2257045740	FKRMDBDEXUSZLH-IONNQARKSA-N	249.075	-0.170	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c1	2298225703	OWTHLBBKLBSANJ-VFRUTBLMSA-N	230.076	-0.394	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](O)[C@H](C2CC2)C1	2298368545	KVEVQGPMWJARFW-QEYWKRMJSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298371462	LXQUNPTXSODSLM-CHHOWFRJSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@@H](C(=O)O)C1CCC1)[C@H]1C[C@H]1B(O)O	2298463563	LWMUSBYJGPLIJO-XLPZGREQSA-N	241.052	-0.781	50	10	BBGE	
N#Cc1ncn(CCC[C@H]2C[C@@H]2C(=O)NN)n1	2300382663	IPBAUJDZUSEJPR-YUMQZZPRSA-N	234.263	-0.444	50	10	BBGE	
COCCCOc1ccc(B(O)O)cc1C#N	2301343248	ISKKPNCRMJTKJJ-UHFFFAOYSA-N	235.048	-0.347	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(C)c(B(O)O)c1	2301605879	QUARGEWYJXTROQ-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
COCCCOCCN1CC[C@@](C)(B(O)O)C1	2303131832	CUODFASISLCCHW-LLVKDONJSA-N	245.128	-0.022	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	2312517063	PYVGVPQPAWVSNK-GSVPJAPCSA-N	249.314	-0.131	50	10	BBGE	
C[C@H](NC(=O)Nc1ccc(B(O)O)cn1)C1CC1	2317589744	LRCRMANPHYAOQP-ZETCQYMHSA-N	249.079	-0.319	50	10	BBGE	
N#CC(=CN1CCCC1)C(=O)NCC(=O)O	2324946463	AZCFBPBWWJKFLB-UHFFFAOYSA-N	223.232	-0.310	50	10	BBGE	
C[C@@H](Sc1nc(N)cc(N)n1)C(=O)NN	82472903	ULSDSULYTCTKHM-GSVOUGTGSA-N	228.281	-0.889	50	10	BBGE	
CN(C)C[C@@H]1C[C@@H](O)CN1C(=O)CCl	85082799	VTOATKFKMDXMPG-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
COCCc1ncc(C(=O)NN)s1	98108682	DKIANULDTPFVLW-UHFFFAOYSA-N	201.251	-0.065	50	10	BBGE	
O[C@]1(CCl)CO[C@@](O)(CCl)CO1	137489601	JTQPEJDPXBJUPM-WDSKDSINSA-N	217.048	-0.112	50	10	BBGE	
CN(C)CCOc1cc(F)cc(B(O)O)c1	211815111	YPYBWSKSAJONRF-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NC1CC1	216559016	BMVKHYGMXHOGKN-FPLPWBNLSA-N	209.249	-0.092	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	226495027	HFGQQKLOWUOOKS-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CCO[C@H](C)CN1CC(=O)OC(=O)C1	229029229	PYAHKXOOYWLXJF-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCCO)C1CCC1	232420870	DXRUDLLCXHWUIP-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(Cl)cn1	232421043	DKTBOOOFZGJGFP-ZCFIWIBFSA-N	218.644	-0.286	50	10	BBGE	
COC(=O)[C@H](O)[C@@H](Br)CO	238802055	REJWWCGHPGKPCK-IUYQGCFVSA-N	213.027	-0.724	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252855150	HJIWVFPWSMZCCW-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CCNC(=O)CS[C@@H](C(=O)NN)C(C)C	300898342	VNSLCKQRCBXVQY-MRVPVSSYSA-N	233.337	-0.130	50	10	BBGE	
Nc1cc2ccsc2c(B(O)O)c1O	307280563	ZINUCEHPADGTKR-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1ccnc(B(O)O)c1C(F)(F)F	307415564	KSIZCNKTEXAGOM-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2C[C@@H]2C1	307542566	ZNRPAFMRIBYLQE-GHMZBOCLSA-N	217.077	-0.182	50	10	BBGE	
CCCS(=O)(=O)NNC(=O)OCC	308357341	LCCMWUOFPKFDLH-UHFFFAOYSA-N	210.255	-0.023	50	10	BBGE	
CC[C@H](C)N(CCO)CC(=O)NNC(C)=O	380601784	VLVMPWNIARZEIT-QMMMGPOBSA-N	231.296	-0.754	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1ncnn1C	389379743	JLJXVGDRERWGPS-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
Cc1ccc(=O)n(CCC(C)(C)C(=O)NN)n1	395618866	SWTSHAIYSOZLRJ-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(O)cc1B(O)O	396020414	IBXOYQSDTFMGRV-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@H]1CNC(=O)C1	398292547	HAIPIHQBIWBUGO-PHDIDXHHSA-N	247.682	-0.424	50	10	BBGE	
CNC(=O)CCCNC(=O)NC(=O)CCCl	398346685	GWVWUZGBAHRDPT-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1=O	399648990	ZBXPTZHMNKNAHE-HLTSFMKQSA-N	241.291	-0.608	50	10	BBGE	
CSCCC(=O)Nc1ccnc(B(O)O)c1	405064274	SLDLHIKWSZZTPW-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
CC[S@](=O)N(C)Cc1ccccc1B(O)O	405083376	RAYLSOVIWXPJAZ-INIZCTEOSA-N	241.121	-0.518	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)C1CCCC1	586365491	PFGWMCZPRFBYHJ-HNNXBMFYSA-N	232.305	-0.155	50	10	BBGE	
N#Cc1ccc(Cn2ccc(B(O)O)n2)c(F)c1	694267511	CTQNHTAXOBKDAM-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2CC1(CO)C2	694583934	WKSHGFYYTMCEKA-BFWVQVCMSA-N	227.308	-0.542	50	10	BBGE	
CC(C)NC(=O)N1CCc2ccc(B(O)O)cc21	712958260	VXBDRVRTFZCUDB-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(CCOC1CC1)Nc1ccccc1B(O)O	716865192	BKTUQEWUHUCOAJ-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
CC(C)(C(N)=O)C(=O)NNC(=O)c1ccoc1	767778300	HPOCKHCORGJAHR-UHFFFAOYSA-N	239.231	-0.448	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@H]1C[C@@H](C)CO1	910001178	OACDJFZVWSJMRX-RNFRBKRXSA-N	231.321	-0.121	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](C(N)=O)C1	1464955047	URXJNACHVIISQS-KGOFQHAKSA-N	237.259	-0.236	50	10	BBGE	
CC[C@H](C(=O)NNC(=O)C(C)(C)O)C(=O)OC	1556228439	NLOAHTUVRWJNTQ-ZCFIWIBFSA-N	246.263	-0.896	50	10	BBGE	
CSc1nccnc1C(=O)NN(C)C(N)=O	1630877999	KEPWUEOUBDOLTC-UHFFFAOYSA-N	241.276	-0.146	50	10	BBGE	
CC(=O)c1ccc2oc(=O)n(CC(=O)NN)c2c1	1857848507	ACNVKGZHQAWPQN-UHFFFAOYSA-N	249.226	-0.213	50	10	BBGE	
CC1(N)CN(C(=O)/C=C/C(=O)Cl)C1	1883649689	UTDKWFFHARCICD-NSCUHMNNSA-N	202.641	-0.132	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOC[C@@H]1F	1886918181	RIAURVJRGIETCW-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
CC[C@@H](O)CN1CCC(B(O)O)CC1	1886963183	DMBYWWIQMRYLIO-SECBINFHSA-N	201.075	-0.304	50	10	BBGE	
CC1(C)[C@H](O)C[C@]1(CO)NC(=O)CCl	1890900809	SVOAWGRTIDEDFY-HZGVNTEJSA-N	221.684	-0.137	50	10	BBGE	
CN(C)CCCN1CC[C@@H](B(O)O)C1	1891491866	LGTHPHBGDXDOCM-SECBINFHSA-N	200.091	-0.513	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)CC(=O)N1	1893469962	OASYSZFEYDVMCE-RFZPGFLSSA-N	216.624	-0.901	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1895004473	YVNQJFVTBRFCFV-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CC(C)(C)C(=O)NN	1896272210	PLLLSCCBEHJLAE-IUCAKERBSA-N	226.324	-0.609	50	10	BBGE	
CN(NC(=O)C[C@@H](N)C1CCC1)S(C)(=O)=O	1901339062	HRNGTRJZJDDKTD-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1csc(OCc2ccccn2)n1	1901592899	ILEJWOZVRLSWET-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CNC(=O)C2)C1	1902551567	RPXISINYXBQMOB-PSASIEDQSA-N	226.085	-0.939	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(CCCC(=O)NN)[C@@H]1C	1903284487	RPQUCDIYHPNBFU-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)[C@]1(N[C@H]2C[C@H](Cl)C2)CNCCOC1	1904263605	POOLPGCTNKSPFG-NRPADANISA-N	248.710	-0.211	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@H]1CF	1909485110	NZLUPKPFTYWGJK-JGVFFNPUSA-N	237.039	-0.090	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911288910	QGTBEUBNBGEXNW-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911289166	SWPFADCRJOZYGU-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1911478184	AFTRUGRUTGZHTD-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
C[C@H](CN1CCCCS1(=O)=O)C(=O)NN	1912236674	BEIRUHPXAHKAOY-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
C#CCCC(=O)Nc1ncccc1B(O)O	1913620420	OEHGBWGFMTWCPV-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@H]1C	1914261604	HJRUGZBXOZARFB-RBXMUDONSA-N	215.297	-0.544	50	10	BBGE	
CN([C@H]1CCNC1=O)S(=O)(=O)CCCl	1916838687	LYFWCWZFYHDEQA-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H](O)C1CC1	1923215484	DIDSBXMPOYIFBN-BYPYZUCNSA-N	226.154	-0.533	50	10	BBGE	
COCC=CC(=O)NNC(=O)C(F)(F)F	1923411289	XERDXZCJFHLQHN-UHFFFAOYSA-N	226.154	-0.101	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1927930127	IIEMJQPAAFZYPS-QXFUBDJGSA-N	213.281	-0.382	50	10	BBGE	
COC[C@H](C(=O)NN)N(OC)C(C)C	1928666224	WSHGTSCUZVKXJM-SSDOTTSWSA-N	205.258	-0.737	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C2(CC2)C1	1930236117	VTNWNNWECCOECP-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1CCCOC1	1932290702	NTMOVDUWQOHJKG-YFKPBYRVSA-N	210.180	-0.235	50	10	BBGE	
C[C@H](CN1C[C@@H](F)[C@H](C)C1)C(=O)NN	1932370283	BMMCHTOMJOECQX-BWZBUEFSSA-N	203.261	-0.098	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)O	1932715174	BTCPRVNTPIVXJH-XVMARJQXSA-N	213.237	-0.423	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]1(C)CO	1932966433	CKTSEAHASZJZJH-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CN1CC([C@H]2CC2(F)F)C1	1933057376	TYGGTDGCTCAZPE-ZCFIWIBFSA-N	205.208	-0.437	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)NNC(N)=S	1934055415	UXWQWRVJHXEUPV-MRVPVSSYSA-N	216.310	-0.665	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC2(CC2)C1	1934845469	MJYBWFPPVXXMKT-ZETCQYMHSA-N	211.265	-0.327	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CCCO2)C1	1935940338	BLEUZHSWUJEEAZ-UHFFFAOYSA-N	235.234	-0.524	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936090704	KIITUDWZGVVCDP-JGVFFNPUSA-N	226.280	-0.630	50	10	BBGE	
NNC(=O)C(=O)N1CCOC2(CCC2)CC1	1938564574	AXUARDCAPABDFO-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
O=C1CN(C2CN(CC3CC3)C2)CC(=O)O1	1938802228	UMILVEWYHYMQFP-UHFFFAOYSA-N	224.260	-0.534	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@@H]21	1940721873	XDLKBEMVAAPELM-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@H]21	1940728640	XDLKBEMVAAPELM-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]1(C)CCOC1	1941089859	XUIJSVZEOAUUBT-UMNHJUIQSA-N	241.335	-0.029	50	10	BBGE	
CCn1nncc1CN(C)CCCC(=O)NN	1950439912	ZSGYHJFLKOOEAH-UHFFFAOYSA-N	240.311	-0.500	50	10	BBGE	
O=C([C@@H]1CC1(F)F)N1CC[C@H](B(O)O)C1	1951322006	PSMITBHMOYKYIK-WDSKDSINSA-N	218.996	-0.283	50	10	BBGE	
COc1ncc([N+](=O)[O-])cc1[C@H](N)[C@@H](O)C#N	1952956691	NXUARNCGUBNOJY-YUMQZZPRSA-N	238.203	-0.117	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CCC[C@H]21	1961306536	QFNYWOKKDDPOGW-RQJHMYQMSA-N	229.305	-0.527	50	10	BBGE	
C=C(CCl)CN1CCN(CCO)C(=O)C1	1961455294	NYSAVLWBMSWPJC-UHFFFAOYSA-N	232.711	-0.082	50	10	BBGE	
NC(=O)NC(=O)CN1CCSSCC1	1963543879	DJJDDFCJZZXEQC-UHFFFAOYSA-N	235.334	-0.122	50	10	BBGE	
CCS(=O)(=O)C[C@@H](C)N1CC(=O)OC(=O)C1	1980851284	VNSIQLIWEPVUOF-SSDOTTSWSA-N	249.288	-0.805	50	10	BBGE	
CC[C@H](CO)N(C)CCC(F)(F)C(=O)NN	1984128436	OSVJZLNZLUZVGI-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986732890	WJBXEHRISJSSKF-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1990040756	IYKUKJWJJKCDSZ-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
COCCN1C[C@H](O)[C@@H](NC[C@@H]2C[C@@H]2Cl)C1	1991436792	BGRSBSPXSGCAMU-NAKRPEOUSA-N	248.754	-0.105	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@H]32)o1	2004486431	LECUNERPFHBTIH-PSASIEDQSA-N	237.259	-0.144	50	10	BBGE	
OB(O)c1cnc(OCCOC2CC2)c(F)c1	2004934074	PDUDBKKODOECBJ-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CCCO2)c1B(O)O	2004934128	CBMPOHJWBXENRZ-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
CCN(CC(N)=O)C[C@H]1CC[C@@H](C(=O)NN)C1	2010836074	VYNKERVBLKTHNJ-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)C1(CO)CC1	2012616245	RFXAVNJOWMYRQO-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@]2(CCCOC2)C1	2012897367	AYFLDKCRYSXLEU-LDYMZIIASA-N	241.291	-0.558	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	2014231377	JZYXPMKOFANCLB-VWYCJHECSA-N	240.351	-0.221	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NNC(C)=O)[C@@H]1C	2019219276	LFZBGKDMWWBVCS-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1nc2ccccn2c1=O	2028049233	CCRROJVCDRKSHK-JGVFFNPUSA-N	247.258	-0.878	50	10	BBGE	
NC1[C@H]2CN(CC(=O)NNc3ccccn3)C[C@H]12	2045670857	NGNORWFBCGCLNO-IUCAKERBSA-N	247.302	-0.586	50	10	BBGE	
COc1nc(N2C[C@H]3CC[C@@H]3C2)ncc1B(O)O	2052625092	JVPQIPSYIXVQCZ-HTQZYQBOSA-N	249.079	-0.989	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(B(O)O)c1	2052625710	NWNOHTIRPNNKGK-SVDPJWKOSA-N	244.103	-0.086	50	10	BBGE	
CCc1ccc(B(O)O)c([N+](=O)[O-])c1F	2060090280	XZYTXMOOZGZTSD-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
OB(O)c1ccc(=NCc2cnsc2)[nH]c1	2212600089	AGJQAVNYWQVBCX-UHFFFAOYSA-N	235.077	-0.748	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CC1(C)C	2212610713	NVRZMHJOOWNDDR-VIFPVBQESA-N	220.081	-0.004	50	10	BBGE	
CCN([C@H](COC)C(=O)NN)[C@@H]1CCC[C@@H]1O	2212901796	VESMNYFKHGPNME-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
CN1CC(CN(C)C[C@H]2CC[C@@H]2C(=O)NN)C1	2215774512	XKYXLMCCYJJVER-MNOVXSKESA-N	240.351	-0.504	50	10	BBGE	
CC(C)C[C@@H](CO)Nc1ncccc1B(O)O	2217176695	ZLGHMOCBSGUABW-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
C[C@H](N)CC(C)(C)Oc1cc(B(O)O)ccn1	2217189494	DWOIHJIYXRQOOH-QMMMGPOBSA-N	238.096	-0.344	50	10	BBGE	
CC[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2220060974	BJEQNLXPBQUASD-YPMHNXCESA-N	249.119	-0.431	50	10	BBGE	
C[C@H](Cn1ccnc1)Nc1cc(B(O)O)ccn1	2223626755	JHHDUQWAWBSKRG-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncnn1C	2223632064	FGOBIFZLUXKQQN-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CC[C@H](C2)O3)c1	2223636819	BBCNZZJYMOVYQK-RTCCRHLQSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@@H]2CNC3)nc1	2223649802	DGLLLZCXKGCQPD-PHIMTYICSA-N	247.107	-0.908	50	10	BBGE	
CC[C@H]1CC[C@H](Nc2ncccc2B(O)O)CN1	2223672236	ACYXTVPGLFWNHI-UWVGGRQHSA-N	249.123	-0.296	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H](C)C1N	2223673943	IHOSEKIDDTXUOA-RKDXNWHRSA-N	249.123	-0.819	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCC1=CCCCC1	2224028528	HSCCYGINPUKJMR-UHFFFAOYSA-N	248.091	-0.186	50	10	BBGE	
CONC(=O)c1cc(B(O)O)c(Cl)s1	2241478359	CSCKOOILADOEFI-UHFFFAOYSA-N	235.457	-0.628	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1COC1	2241661919	LQFRMYZRLNDOLI-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC1)CN(C)C2	2242872235	ZDLMVKQEYHLNBW-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
Cn1cnnc1NC(=O)C1(B(O)O)CCC1	2243347565	NVDRFJIPXRQLGD-UHFFFAOYSA-N	224.029	-0.849	50	10	BBGE	
C[C@@H]1CN(C(=O)c2csnc2B(O)O)[C@@H]1C	2243398487	QBXABOQIIMLDNG-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
C[C@H]1CCC[C@@H]1CN(C)C(=O)C#CB(O)O	2243401228	OGONVWBEGLNCHR-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
CONC(=O)c1cc(Cl)c(C)cc1B(O)O	2243409592	LDWBWZRLYFWNMC-UHFFFAOYSA-N	243.455	-0.381	50	10	BBGE	
O=C(NCCOCC1CC1)[C@H]1C[C@@H]1B(O)O	2243414712	GZNIBBQBFPFHDJ-IUCAKERBSA-N	227.069	-0.608	50	10	BBGE	
O=C(NCCc1cncs1)[C@@H]1C[C@@H]1B(O)O	2243427050	PNBWHOLHOKKXSC-SFYZADRCSA-N	240.093	-0.335	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]1C2	2244492943	UUPXBEFPPXLVCZ-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCCCO1	2244547279	XUZVICYFAHWHJJ-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1ccc(B(O)O)o1	2247738752	VFBNBTJUTFIQKA-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247750746	NRWXKOLMEHIPIS-BDAKNGLRSA-N	243.112	-0.095	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCN(C)C1	2247750945	QHVCLKUCKOREJT-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C=C1CC(CNC(=O)c2occc2B(O)O)C1	2247750950	QJFKFWRJXDUWEB-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)OC1	2247751523	YQDXAUTUVRGTSO-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C=CCCNC(=O)c1ccc(C)c(B(O)O)c1	2247752977	ZKMJYWRBPCUPOI-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](CO)C1)C1(B(O)O)CC1	2247753398	GLCQWCMGOMDOFZ-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
CN[C@H]1CN(C(=O)C2(B(O)O)CC2)CC12CC2	2247756430	MANWNASONMSNHR-QMMMGPOBSA-N	238.096	-0.796	50	10	BBGE	
CC[C@@]1(NC(=O)C2(B(O)O)CCC2)CCNC1	2247759209	YWYSPCOLUXWULO-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
C=C(CC)CNC(=O)c1ccc(B(O)O)cn1	2247775593	NJAMZRCUWQFOBQ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
Cc1cnc(C(=O)N(C)C(C)C)c(B(O)O)c1	2247791031	KSZIRMQWBJNINQ-UHFFFAOYSA-N	236.080	-0.450	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792028	QBFAMSFKKLOKBW-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
CC(C)C[C@](C)(CN)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247798468	ULZWLMAIASOLSN-WCABBAIRSA-N	242.128	-0.271	50	10	BBGE	
CN(C)C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247800691	RNOXSFZAKVCXKF-XKNYDFJKSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CC1CC1)C1CNC1	2247803612	BUIKTSMMLBMBDK-VHSXEESVSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ccoc1B(O)O	2247866590	OQNQPTXSIYCNBW-SSDOTTSWSA-N	235.048	-0.511	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1coc(B(O)O)c1	2247870941	SNPYWVLNLZGLRQ-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccncc1B(O)O	2247872716	XQSGSQMXNRWNTN-WRWORJQWSA-N	234.064	-0.710	50	10	BBGE	
N#CC[C@H](NC(=O)C1(B(O)O)CC1)C(F)(F)F	2247875454	YUYJGZORJOZVLI-YFKPBYRVSA-N	249.985	-0.046	50	10	BBGE	
O=C(NC[C@H](CO)C1CCC1)C1(B(O)O)CC1	2247877482	BBOVGPNHUGLOBE-SECBINFHSA-N	241.096	-0.482	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC=C[C@@H]1CO	2247894885	LVNZVCYFUMDTOR-OPRDCNLKSA-N	239.080	-0.611	50	10	BBGE	
CC(C)[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247895573	UCSIDXZIWGDQAH-GUBZILKMSA-N	242.128	-0.448	50	10	BBGE	
CC1(C)NCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247900515	XOMZMZNVYTYPHZ-CIUDSAMLSA-N	240.112	-0.504	50	10	BBGE	
CCC[C@H](CC)NC(=O)c1c[nH]nc1B(O)O	2247905670	VPFLFBBCMDMGRS-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](CO)[C@@H](F)C1	2247908972	CNCXUQHYGDZECR-QKZHKQSRSA-N	245.059	-0.972	50	10	BBGE	
O=C(O)[C@H]1C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580313	XACNHQRLESGAMG-GJMOJQLCSA-N	239.036	-0.909	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586456	AZWVMDSDKNGVJG-XSSZXYGBSA-N	241.052	-0.685	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)cn1C	2249306041	WBGPLMVLFBUTIV-SSDOTTSWSA-N	242.059	-0.865	50	10	BBGE	
C=CCN(C[C@@H]1CCC[C@@H](C(=O)NN)O1)OC	2249506199	ZRFVGODHUPSGRS-UWVGGRQHSA-N	243.307	-0.037	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2250687195	IADKSYNJAWTGDV-REIXXSIJSA-N	238.096	-0.953	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251004747	VXJLDZRSGHIEGT-YDYPAMBWSA-N	241.096	-0.389	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2CC[C@@H]2C)c(B(O)O)c1	2255556408	OVGPJJUVSZEZHY-WCBMZHEXSA-N	248.091	-0.402	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3c[nH]nc3B(O)O)[C@H]1C2	2255572138	VURXDDPWDYRWTG-VHSKPIJISA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1c[nH]nc1B(O)O	2255683427	WPBJPWHAAPEORN-IONNQARKSA-N	249.079	-0.992	50	10	BBGE	
NCCN(C(=O)C1(B(O)O)CC1)c1ccccc1	2255690956	JWKCIAFHFYZPSA-UHFFFAOYSA-N	248.091	-0.015	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cocc1B(O)O	2258127245	INQSLKYCIRGVMB-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2298367914	BGACACLHPGZXJS-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1O2)C1(B(O)O)CCC1	2298375601	RVYWVOADHNESRD-XHNCKOQMSA-N	239.080	-0.180	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298554893	CPBRKKIUFNEFIB-OEZYJKACSA-N	239.080	-0.467	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2(CC2)C1	2301338517	JSKCUIQCOBBOKO-UHFFFAOYSA-N	228.060	-0.162	50	10	BBGE	
CC(C)(CN)CNc1cc(B(O)O)c(F)cn1	2303847752	NTNRRWQJTYDQAD-UHFFFAOYSA-N	241.075	-0.703	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc(N2CCCC2)n1	2327862953	SMXOIVSJDLRTLY-UHFFFAOYSA-N	249.274	-0.390	50	10	BBGE	
O=C(NCCO)[C@@H]1SSC[C@H]1O	13384089	LHFFRRDCDOTHHS-RFZPGFLSSA-N	209.292	-0.781	50	10	BBGE	
CCCCNC(=O)NNC1=N[C@H](C)CN1	39109405	ILHIFHWAEAWFGK-SSDOTTSWSA-N	213.285	-0.062	50	10	BBGE	
CS(=O)(=O)CCn1nnnc1CCl	54743930	XLTDQVFEGGILEE-UHFFFAOYSA-N	224.673	-0.544	50	10	BBGE	
CC(C)N(CCO)[C@@H](C)CCC(=O)NN	82470814	QWSCPADOMHMZFW-VIFPVBQESA-N	217.313	-0.152	50	10	BBGE	
CC[C@H](C)N1CCN(CCC(=O)NN)CC1	82471108	LBIBQDCBQRRZRS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
Cc1nnc(S[C@H](C)C(=O)NN)n1C	82472780	HOKODZPDSFLFJC-SCSAIBSYSA-N	215.282	-0.406	50	10	BBGE	
CC1(C)C(CNC(=O)C(=O)NN)C1(C)C	86241324	DCNIKKSOHGDBFT-UHFFFAOYSA-N	213.281	-0.225	50	10	BBGE	
CC(=O)N1CCCN(C[C@@H](C)C(=O)NN)CC1	110589466	PTCDOKKAYOWYAQ-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
OB(O)c1cc(Cn2ccnc2)ccc1F	203168605	CWIJHXQNEFCJTI-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
COc1ccc(-c2cc(B(O)O)cnc2N)cn1	203825435	QNBGLDFMEXVSLT-UHFFFAOYSA-N	245.047	-0.586	50	10	BBGE	
OB(O)c1cnc(OCC2COC2)c(Cl)c1	204166563	LIZRXLAEYSMOMY-UHFFFAOYSA-N	243.455	-0.560	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)OC[C@@H]1C	219259408	GZYHYCKBSXWOMD-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NCCCC[C@@H](N/C=C\C=O)C(=O)O	225936377	ZKPSLLGRNDRMAU-WAXIIBMWSA-N	200.238	-0.129	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1ccn(C)n1	234566741	GXHDWXBBWDQOQO-ZCFIWIBFSA-N	245.666	-0.070	50	10	BBGE	
CN(C)c1ncc(B(O)O)cc1Br	238321105	OTBXWLOLZMIADA-UHFFFAOYSA-N	244.885	-0.410	50	10	BBGE	
O=c1[nH]cc(CNCCCl)c(=O)[nH]1	238566715	XBLDMXADXBNTCI-UHFFFAOYSA-N	203.629	-0.608	50	10	BBGE	
NCCCN(C=O)C(=S)NCCCl	242854307	GBLSTDMRAOVXIR-UHFFFAOYSA-N	223.729	-0.093	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)[C@H]1CO	299910682	MIEFJNJFQCVOFZ-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
O=C1O[C@@H]2[C@@H]3[C@H]1[C@@H]3[C@H](O)[C@H]2Br	307659379	SUTMOCMMWLPLHZ-SCCKRLBHSA-N	219.034	-0.088	50	10	BBGE	
CCCN(CC(N)=O)S(=O)(=O)CCCl	379595967	FBBKGHVARLPPBB-UHFFFAOYSA-N	242.728	-0.248	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1C	380730999	VCKGOAQJLFZAAT-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
COc1cc(B(O)O)cc(C2CCNCC2)n1	382636919	GCCPCNJQJXRLKX-UHFFFAOYSA-N	236.080	-0.763	50	10	BBGE	
CCOC(=O)c1cc2c(B(O)O)ccnc2[nH]1	382740825	LQTPPBKGGUDYGM-UHFFFAOYSA-N	234.020	-0.581	50	10	BBGE	
O=[N+]([O-])c1nc2cccc(B(O)O)c2o1	396100855	UJIHYODPHULQQG-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
C[C@H](CO)[C@H](C)NCc1ccccc1B(O)O	585025496	VUZVXAWKKKVGGT-ZJUUUORDSA-N	237.108	-0.527	50	10	BBGE	
N#CC1(O)CCN(CCN2CCOC2=O)CC1	687826133	XLJAOYVCIVUERQ-UHFFFAOYSA-N	239.275	-0.211	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)CCC(=O)NN	688148302	UGFPGZBXRARVAO-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CC[C@@H](C(N)=O)N1CCC(O)(C#N)CC1	692124970	YOYOXDVLDQQXSV-QMMMGPOBSA-N	211.265	-0.399	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)C(F)(F)F	697726235	HTDLUOHBQBBFNC-VKHMYHEASA-N	213.159	-0.709	50	10	BBGE	
OB(O)c1ccn(CCCOC2CCCC2)n1	699958382	BUEWKUDALNGGKS-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
CN(C)CC[C@@H]1CCCN(CC(=O)NN)C1	701462784	RPSRJJLRXRHTPG-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CN(CN(CCCl)[N+](=O)[O-])[N+](=O)[O-]	702592722	WTVVJGJFEWGLHP-UHFFFAOYSA-N	212.593	-0.200	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1CO	708125489	ZOYZNBRWCLTPIL-RKDXNWHRSA-N	229.324	-0.437	50	10	BBGE	
CCC(=O)N1CCc2cccc(B(O)O)c21	712183266	VEFHQHGXGNIUGP-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CCCCC(=O)NN)C2	723700350	XMOULLZBUPYWPB-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)C1=NCC=N1	725594571	CJUMASFLWCKOFD-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
CNNC(=O)C1=CC[C](NC(C)=O)S1	725654899	BLYBIPDYRHMEFW-UHFFFAOYSA-N	214.270	-0.117	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)N(C)C)C1	732911707	GJPVQRXAPPLFDZ-SSDOTTSWSA-N	214.269	-0.760	50	10	BBGE	
O=C(CN1CCCC1=O)NN=Cc1cocn1	814761042	MXUCJQMBTYPPAB-UHFFFAOYSA-N	236.231	-0.253	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1CCN(O)C1=O	820175102	SIVHRCLTKSXWBE-UAPHAKCISA-N	239.231	-0.463	50	10	BBGE	
CCO[C@H](C(=O)NNC(=O)C(C)(C)O)C(C)C	861205604	GZQCPZXEITWVOL-QMMMGPOBSA-N	246.307	-0.034	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1cnsn1	884275437	MABNIVULLHXDTH-RXMQYKEDSA-N	239.260	-0.496	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@H]1COC(=O)N1	907698080	NQBZHJGICDOOKF-SSDOTTSWSA-N	236.231	-0.058	50	10	BBGE	
C/C=C\C(=O)N(N)[C@H]1CCS(=O)(=O)C1	1083055363	DSCKSCRGBVYIEG-XDVGHUOJSA-N	218.278	-0.548	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc2nc(O)[nH]c12	1292009945	GGMQHCGXZLKKGT-UHFFFAOYSA-N	249.230	-0.158	50	10	BBGE	
CN(NC(=O)/C=C/[C@H]1COC(C)(C)O1)C(N)=O	1596554207	CUMZPEYGLKWFLL-KPJROHGDSA-N	243.263	-0.264	50	10	BBGE	
CN(CCNOCCCl)S(C)(=O)=O	1883026854	QLLVCTZQGZZTFV-UHFFFAOYSA-N	230.717	-0.362	50	10	BBGE	
NCCCS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883567968	SNZJKXFIUVBYSL-RNFRBKRXSA-N	226.729	-0.118	50	10	BBGE	
C#C[C@H](CCl)NC(=O)c1nnn(C)n1	1884831250	NUTUGXLOEGBEBE-RXMQYKEDSA-N	213.628	-0.820	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(N)=O)CCO1	1886029389	JGCKBAFLDOWFAZ-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(F)CNC1	1893497288	FEXBZVXGFURQRO-OWOJBTEDSA-N	220.631	-0.264	50	10	BBGE	
CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NN	1894509409	MIOYZEGVUHEVOH-HTQZYQBOSA-N	229.280	-0.560	50	10	BBGE	
O=C(NC[C@@H]1CN[C@H]2CCN1C2)[C@H]1C[C@@H]1Cl	1902634843	YUELFJZEPTZPSB-XKNYDFJKSA-N	243.738	-0.224	50	10	BBGE	
CC[C@](C)(CN1CC([S@](C)=O)C1)C(=O)NN	1902714781	YTHIOHZMSHNSFI-HWPZZCPQSA-N	247.364	-0.545	50	10	BBGE	
Cc1scc(C(=O)N2CCCC2)c1B(O)O	1902868955	SZWYVAFQYRTIPU-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
Cc1scc(C(=O)NN2CCC2)c1B(O)O	1902869075	VAOKPRQLCIHLCD-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C[C@@H](C)C(=O)NN)[C@H]1C	1903280782	DJDSHFLQXCLHBN-KATARQTJSA-N	229.324	-0.296	50	10	BBGE	
N[C@@H]1COCC[C@]1(N[C@H]1C[C@H](Cl)C1)C(=O)O	1904266668	NBAAIHMWOAZDQV-FDDDBJFASA-N	248.710	-0.083	50	10	BBGE	
CN(CCCCO)C[C@H]1C[C@H]1C(=O)NN	1927918580	VCLGKPSCIASRIL-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)C(=O)NCC(F)(F)C(F)(F)F	1928285590	BMIJHCYCUSYMCP-UHFFFAOYSA-N	235.112	-0.710	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C[C@H]1C	1929939921	UTHZZIRWGMHCGJ-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1CC(C(C)(C)O)C1)C(=O)NN	1932096916	VVNGYMFPHOQGFN-SSDOTTSWSA-N	215.297	-0.685	50	10	BBGE	
CCCNC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1936090028	FPSJIKJSOPOUAY-JGVFFNPUSA-N	245.348	-0.128	50	10	BBGE	
CCOCCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936095259	VJXKYWRASRRRMZ-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CN1CC(N(C)CCCCCC(=O)NN)C1	1936506595	YZDQQZCFEUUSFS-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1937477443	LWRYDPKXGXYFFL-QNSHHTMESA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]2(CCO2)C1	1938677972	YQPCEMUJKLTFEL-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H]2COC[C@@H]2C1	1939477616	JBPMLUPLLNJQEO-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@@H]1C[C@@H]1C(=O)NN	1941087207	LYZCRWGHKIHWIJ-QWRGUYRKSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC[C@@H]1CO	1941087703	NIIAQQHXGKGGMZ-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@H](OCCOCC(=O)NN)C[C@@H](C)O1	1941772782	NRCVEHZRQAJZPN-ILWJIGKKSA-N	246.307	-0.035	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)[C@H](C2CC2)C1	1943089656	RECWKCKYQLZCNM-UUTMEEIUSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)OCC[C@@H]1C	1944024181	MOFDTYGORSYCLK-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
N#C[C@H](O)[C@@H](N)[C@@H](O)Cc1ccccc1	1952903683	GIUXOWHDQGOIIY-DCAQKATOSA-N	206.245	-0.198	50	10	BBGE	
O[C@H](CCl)CN1CC(O)(C(F)F)C1	1954060589	XEUGRCOWTOVACU-RXMQYKEDSA-N	215.627	-0.102	50	10	BBGE	
CSCC1CN(C[C@H](C)C(=O)NN)C1	1955603164	BPNVGMFSSKBRMD-ZETCQYMHSA-N	217.338	-0.093	50	10	BBGE	
NC(=O)C[C@H]1CCN(C[C@H](O)CCl)C1	1956252169	NDBNKNHOPFTQJZ-HTQZYQBOSA-N	220.700	-0.217	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CCCC(=O)NN	1958270365	RMVCNJJDZWZSGD-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)C[C@H]2CCCN12	1960159390	LPUGAGSMUBLKRP-RKDXNWHRSA-N	232.711	-0.107	50	10	BBGE	
CN(C)[S@](C)(=O)=NCC(C)(C)C(=O)NN	1960618680	QLFUVMGEIGUJIH-OAHLLOKOSA-N	236.341	-0.423	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CCO2)C1	1961521416	VKZVWGFRPKXMEW-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CCN(CCCCO)CC(=O)NNC(C)=O	1976239795	KZAHUHQLPGKLHY-UHFFFAOYSA-N	231.296	-0.752	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(C)(N(C)C)C1	1976832344	GZBRUXLOIMSWMF-RKDXNWHRSA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1F	1981408789	FGNMCUQWOPNRHK-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
CC[C@H](COC)Oc1ncccc1B(O)O	1981431000	UUBCNIFDTUFYSL-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC(F)(F)C1	1981469812	YRWBJYUEWNGDJE-UHFFFAOYSA-N	248.425	-0.130	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1981995940	JBPICDIDQDXQFH-GENCIFFESA-N	225.292	-0.669	50	10	BBGE	
CCc1ncncc1CN(C)CC(=O)NN	1984242088	XQZNNVUCPAWTIC-UHFFFAOYSA-N	223.280	-0.539	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12C[C@H](CCO1)C2	1990167837	NALJQNKLSZBSQA-JGZJWPJOSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)C(=O)C=CC(=O)Cl	1991649450	BZXZDXPSTWJCBN-OCAPTIKFSA-N	249.694	-0.102	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868687	RNXBPZKSIMZPDO-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	2001471164	ZMQPJDRYBYYBTK-FSDSQADBSA-N	247.245	-0.132	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1[C@H](C)CC(=O)NN	2003620065	XZWDOJHGDWIHQP-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1C[C@]1(C)CN(C)c1ncc(B(O)O)cn1	2004918920	RPXROJXRKYCBJV-LDYMZIIASA-N	235.096	-0.361	50	10	BBGE	
Cc1cnc(OCCOC2CC2)c(B(O)O)c1	2004924856	IQGSATCBHROXMZ-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@]2(CCO2)C1	2004929834	OHLZLOHGSUAXSM-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3CC(C3)C2)n1	2004971177	NHVNMIBVUHRAMC-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1cnc(N2CC(C3CC3)C2)c(F)c1	2005018436	UBNRBWBFHFTRJS-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)ccc2=O)C1	2008841362	ZIPKQINDYXNWFS-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@@H](CC(=O)O)O1	2009301896	OKEIVBQRIMMYSA-JGVFFNPUSA-N	245.279	-0.263	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@]2(C1)C[C@@H](O)C2	2011293626	QPICLGHANAZEBI-QFOLPQNPSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	2019823742	HIIVJJUGNOYSMH-BQBZGAKWSA-N	246.072	-0.744	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCC2CC1C2	2021282523	GATGJTFRTNAGOX-KTOWXAHTSA-N	234.064	-0.276	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cccc(B(O)O)c1	2022201127	YROZALSQHVMHET-UWVGGRQHSA-N	231.060	-0.495	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2ccnc2C(C)C)n1	2065918658	HXANEZXJFAMLPB-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
N=c1nnc(=NC[C@@H]2C[C@@H]2Cl)[nH][nH]1	2209172597	HHCZRPWYNXNEDQ-IMJSIDKUSA-N	200.633	-0.860	50	10	BBGE	
CSCCOc1ncccc1B(O)O	2210067093	ZGFUPRZMZKZYQK-UHFFFAOYSA-N	213.067	-0.497	50	10	BBGE	
OC[C@@]1(O)CCN(CC2CC(Cl)C2)C[C@H]1O	2210506722	SPRIHKTZZYHCRF-LXKPXOPUSA-N	249.738	-0.206	50	10	BBGE	
C=CC[C@H]1CCN1c1cc(B(O)O)ccn1	2212610830	PTLXAKUDNKJVHT-JTQLQIEISA-N	218.065	-0.084	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213889031	ISTOQJFZWNRYFP-DJLDLDEBSA-N	247.314	-0.204	50	10	BBGE	
COC[C@]12CN([C@@H](C)C(=O)NN)C[C@H]1CCO2	2217059626	MDIUYRCDYIVQRV-IQJOONFLSA-N	243.307	-0.898	50	10	BBGE	
Cc1cnc(NCc2cnoc2)cc1B(O)O	2217179838	BXBYZTLMUXQMPA-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
NCC[C@@H](Oc1ccc(B(O)O)cn1)C(F)F	2217190041	KKSQBEMCHLQLIL-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCNC23CC3)c1	2217198727	FLIRELXUNOLRKL-VIFPVBQESA-N	233.080	-0.932	50	10	BBGE	
Cc1ocnc1CNc1cc(B(O)O)ccn1	2217198961	IPQPCHOOUAOKSN-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OCC1(CCNc2ncccc2B(O)O)CC1	2217199130	KFOKQHFOFFIDOG-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
C#CC[C@@H](COC)Nc1ncccc1B(O)O	2217201562	QYEIDJKANURQIE-VIFPVBQESA-N	234.064	-0.788	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCNC1	2217201842	RZORWXLXDDHKNU-NSHDSACASA-N	235.096	-0.827	50	10	BBGE	
CN(C)CC1(Nc2cc(B(O)O)ccn2)CC1	2217205462	ZGEOQODLQUJTCA-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1cncc(F)c1=O	2217265815	OSZSFSJQKYQFAY-NKWVEPMBSA-N	240.238	-0.602	50	10	BBGE	
NC[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220061766	DFMFVWMCHQVTED-GFCCVEGCSA-N	248.135	-0.463	50	10	BBGE	
CC[C@]1(CNc2ccc(B(O)O)cn2)CCCN1	2223626564	ILHQKKSOTPVBBQ-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(N(C)Cc2cocn2)cc1B(O)O	2223650920	SNXLAWBYKQCGBS-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ccc(B(O)O)cn1	2223651473	XETZWSPJQUNJHW-NHCYSSNCSA-N	248.091	-0.889	50	10	BBGE	
CSCCOc1ccncc1B(O)O	2242035281	SRGAOLRYYJCRPR-UHFFFAOYSA-N	213.067	-0.497	50	10	BBGE	
CN(CC(F)F)C(=O)c1cscc1B(O)O	2243346973	GEAHWLQLJXKPHQ-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
C=C(C)CN(C)C(=O)c1nscc1B(O)O	2243348446	XRBMUHAOJVAMIU-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243357488	XJWIYTJXGDFQKX-SECBINFHSA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1ccsc1B(O)O	2243358666	JAFZVIUBUUXWPL-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
CCc1nnc(NC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243395953	FDUNGPOMURRZSB-WHFBIAKZSA-N	241.081	-0.098	50	10	BBGE	
O=C(NCCc1ccns1)[C@H]1C[C@@H]1B(O)O	2243396123	HWFQEKWOJDQDHH-YUMQZZPRSA-N	240.093	-0.335	50	10	BBGE	
CCN(C(=O)C#CB(O)O)[C@H]1CCCOC1	2243400242	XXVYUKBXCJNRIQ-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243410300	ZBMKHMUFDKXVDV-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cscc1B(O)O	2243411661	XZNCDEBTIPHVRW-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
CCCC[C@H](CN)NC(=O)[C@H]1C[C@H]1B(O)O	2243427574	XLQQBWDMELIOTP-HRDYMLBCSA-N	228.101	-0.517	50	10	BBGE	
C=C[C@H]1COCCN1CC(=O)NNC(C)=O	2244004874	UWXAZRLBJHZZPA-VIFPVBQESA-N	227.264	-0.960	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2244205509	KELWTYRXLXDAEB-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2COC[C@H]1C2	2244491519	PEQMVTAEJDCSRR-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@@H]2CCC[C@@H]12	2244547955	IGJQBHVDXLLRDD-RKDXNWHRSA-N	221.065	-0.446	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)[C@H]1C[C@@H](B(O)O)C1	2246206613	QGSXBFYBFWRRIT-HRDYMLBCSA-N	227.069	-0.465	50	10	BBGE	
O=C(N1C[C@H]2COC[C@@H]2C1)C1(B(O)O)CCC1	2247734058	REMXJHMLPHSZBM-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
C#CCCN(C(=O)C#CB(O)O)C1CCCC1	2247737017	BCNCKCLDWFXJOX-UHFFFAOYSA-N	233.076	-0.204	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2ccc(B(O)O)o2)C1	2247737083	CHDQDBFTZOKEQH-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@]12CCCO2	2247742466	PBVKHEQAQDCRGV-KOLCDFICSA-N	237.064	-0.828	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1(B(O)O)CC1)C2	2247750225	GIXIUGHNPCTXFC-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
NC1(CCCNC(=O)C2(B(O)O)CCC2)CC1	2247751355	WQPAOGQQPMTCTD-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)CCN1	2247751518	YPDTXGRHCSJKRH-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cc(F)ccc1B(O)O	2247759816	XDHPRNPMPXRNFL-LDWIPMOCSA-N	237.039	-0.356	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1sccc1B(O)O	2247771274	UQZVZDVWAYUNMY-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(N2CCCC2)C1	2247798732	WRXVWEKSDPOPFP-UWVGGRQHSA-N	238.096	-0.844	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247807613	RGUURIYXTIFBOG-KATARQTJSA-N	240.112	-0.646	50	10	BBGE	
CC(C)OC1CN(C(=O)C2CC(B(O)O)C2)C1	2247808652	VWVFQNPQWHIDTN-UHFFFAOYSA-N	241.096	-0.125	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC12CC2	2247810219	VRNVITFBVMMHTE-DJLDLDEBSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@H]1F	2247848916	SBPIYDDMXNJZMA-HTRCEHHLSA-N	240.043	-0.876	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C1CCOCC1	2247854962	LHWPSISIOBEGNG-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247859534	NMZCJLHTIHWVBO-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
NC[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247879021	PBTXTTUZPNQQBK-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247898550	FMBDJNFYTYPVSP-KATARQTJSA-N	241.096	-0.267	50	10	BBGE	
C=C1CC(C(=O)Nc2ccc(B(O)O)cn2)C1	2248395693	PLSKDKRLGSDIIQ-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
CCN(CCC#N)C(=O)c1cocc1B(O)O	2249416525	SVQSIAMIUVWPEM-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
CC[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)NCB(O)O)C1	2251305357	ZFDJFWYUHPQQGW-FXQIFTODSA-N	243.068	-0.748	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C=C[C@H]1C2	2255470190	ZJFWNWXTUCSWTR-BDAKNGLRSA-N	247.059	-0.250	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cccc(B(O)O)c1C	2255498409	QXEGUYKZQSTGCP-QMMMGPOBSA-N	249.075	-0.089	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1	2255508812	DLHIYMGZDWYXFX-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)cn1CC	2255513810	YFINCPWWNHZRCA-SNVBAGLBSA-N	248.091	-0.671	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC[C@@H]2C[C@@H]21	2255735507	VKUWSDVVVMQQIG-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
O=C(NC[C@@H]1C=CCCC1)c1n[nH]cc1B(O)O	2255761891	MYLGGWMKLGNBMY-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCn2cncc2C1	2258588123	GLNFOICRPFEUBF-GXSJLCMTSA-N	249.318	-0.285	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)[C@H]1C[C@H]1B(O)O	2298369183	LXQUNPTXSODSLM-SRQGCSHVSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2NCC[C@@H]2C1	2298369217	MTCXIMDYIDFDFL-UTINFBMNSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369554	YIHPOFRGKAYBKY-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377464	RTVNCXGCNUMPGM-OAJPDZBQSA-N	238.096	-0.909	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303834542	ICBKKANTCADXCN-BDAKNGLRSA-N	239.059	-0.808	50	10	BBGE	
N[C@H](CNc1cc(B(O)O)c(F)cn1)C1CC1	2303834981	OVWOGFODOYQPBL-SECBINFHSA-N	239.059	-0.950	50	10	BBGE	
OC[C@@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303836213	JJLHIMZUZPBKME-RCOVLWMOSA-N	240.043	-0.917	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1=CCCOC1	2328299294	MKBDIAXERSKQRT-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
CC(C)N1CCN(C[C@@H](C)C(=O)NN)CC1	82467868	XXHDAFIVULARKF-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CCc1cc(C(=O)NNC(N)=O)n(CC)n1	85166690	NQBQURGEPAALPB-UHFFFAOYSA-N	225.252	-0.222	50	10	BBGE	
COC[C@H](C)N(C)CC(C)(C)C(=O)NN	86597870	VACZSJQEVJZGEE-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@@H]1CN	89112443	GGPSKQOMOBKWBO-ZJUUUORDSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CN1CCCCC[C@@H]1CO)C(=O)NN	125034196	XBBRQHAWFPATRZ-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CCC[C@H]1N=C=O	168530177	ZYVLWBGLSZGMTE-LURJTMIESA-N	249.248	-0.655	50	10	BBGE	
N#CCC(=O)NCCNC(=O)CCCl	169908957	LWPXASHCHVUENW-UHFFFAOYSA-N	217.656	-0.239	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)C1	226494415	MHCSAFZGIJPUDY-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	229803626	LQGPVXCKJXDKSS-NXEZZACHSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC([C@H](C)O)CC1	234699884	PSMNAPNXPOSHNG-WCBMZHEXSA-N	245.323	-0.916	50	10	BBGE	
CO[C@H]1CN([C@H](C)CC(=O)NN)C[C@H]1OC	234820624	RAMVBBHTAXYTSY-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
CC[C@H]1CN([C@H](C)C(=O)NN)CCN1C	251839838	QRKVRFKEWANQBT-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CN1CCC([C@H](N)C(=O)NN(C)C)CC1	258984507	FJIKIDKXWSRZIX-VIFPVBQESA-N	214.313	-0.752	50	10	BBGE	
N#C[C@H](O)c1ccc(N2CC(=O)NC(=O)C2)cc1	260682324	RWMDHEKTSZHPBE-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
CO[C@@H]1CCN([C@H](C(=O)NN)C(C)C)C1	300046374	UKJJRRHVCWKCML-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(C(C)=O)cn1	304218148	GUNLBJSMUCNZNH-QMMMGPOBSA-N	226.236	-0.737	50	10	BBGE	
O=C1NNC[C@H](N2CCCC2)[C@H]1Br	306259075	JDVQVQSXBVUXRV-NKWVEPMBSA-N	248.124	-0.151	50	10	BBGE	
NCCS(=O)(=O)N1CCSSCC1	306309175	LFJZYEDCBDZZKF-UHFFFAOYSA-N	242.391	-0.028	50	10	BBGE	
COC(=O)[C@@H](N)COCCBr	307884816	WFUFBWLVOXEYIP-YFKPBYRVSA-N	226.070	-0.102	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2[C@@H](C1)C2(C)C	380347911	KSEOMONIDJRHAB-YIZRAAEISA-N	227.308	-0.421	50	10	BBGE	
NCCN(CCN)C(=O)NCCCl	381900291	CAJNSSRBQVEWGA-UHFFFAOYSA-N	208.693	-0.846	50	10	BBGE	
CCOC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	383035997	GRNCICXKFTXZEQ-SCZZXKLOSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CN(CCC(C)(C)C(=O)NN)C[C@@H]1O	388412142	XJBQAOUPQYGZJH-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
COc1cccc(OC(F)F)c1B(O)O	389638681	PJSYEWIKLZRYSA-UHFFFAOYSA-N	217.964	-0.024	50	10	BBGE	
NNc1cc(OC(F)F)cc(B(O)O)c1	396096224	HEBPINMFXWRISN-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
Nc1c(C=O)c(B(O)O)cc2sccc12	396260326	URAJNVDTRPXAIY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CCCC1	396443840	BUBGQHXEKMYBMT-OLZOCXBDSA-N	249.119	-0.083	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)CC[C@@H]1C	401926985	SDKQOKSHJBHNQS-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CN(C)CC(=O)Nc1ccc(B(O)O)cc1F	405010906	WSJFKGKCPVQIOM-UHFFFAOYSA-N	240.043	-0.994	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(B(O)O)c(F)c1	405029609	MIKQYHSNDIVPDK-LURJTMIESA-N	241.027	-0.521	50	10	BBGE	
C=CCNC(=O)Nc1ccc(F)c(B(O)O)c1	405160333	DTDAOHMLSNJIFN-UHFFFAOYSA-N	238.027	-0.187	50	10	BBGE	
C[C@@H]1CCN(C(=O)N2CC[C@H](B(O)O)C2)C1	585056551	QPWXGRFTGIDCMM-BDAKNGLRSA-N	226.085	-0.003	50	10	BBGE	
C[C@H](C[S@](C)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423207	XZEVYAXLVDRQAZ-MKIUOGOPSA-N	245.300	-0.330	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]2(CCOC2)C1	707280177	YGMLSQZLYNHLPL-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(n2ccnc2)C1	707388098	FYBALRATQKYOGM-JTQLQIEISA-N	237.307	-0.246	50	10	BBGE	
C[C@@H](CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)C(=O)NN	718259864	NHPZFIAVBASONZ-FBDQPXRJSA-N	239.319	-0.278	50	10	BBGE	
Cc1c(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)nnn1C	743340024	XJKCESLNPKFXRA-CAHLUQPWSA-N	237.263	-0.459	50	10	BBGE	
CN(NC(=O)[C@@]1(C)C[C@@H](O)CN1C)C1CC1	911291006	BWMSXMXYQRAPMI-MWLCHTKSSA-N	227.308	-0.433	50	10	BBGE	
CC(=O)NNC(=O)c1cc2c(=O)[nH]c(C)cn2n1	1135818096	JYPLLTDNYMFOBA-UHFFFAOYSA-N	249.230	-0.888	50	10	BBGE	
CCC[C@H](O)CC(=O)NNC(=O)c1ncon1	1179588531	LYCDVQJQJFSBJA-LURJTMIESA-N	242.235	-0.618	50	10	BBGE	
O=C(CO)NNC(=O)Cc1cccnc1Cl	1457718473	DKJYMYRKGWOPQN-UHFFFAOYSA-N	243.650	-0.583	50	10	BBGE	
COc1c(C(=O)NNC(C)=O)c(C)nn1C	1463830907	XWOKRKYHPFWQGS-UHFFFAOYSA-N	226.236	-0.482	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)[C@H]1COCCO1	1566168922	YGEVDVPJLVXMSG-BNICOGTQSA-N	242.275	-0.095	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ccncn2)CCN1	1637047073	MNQPGMUWEGTBLB-QMMMGPOBSA-N	249.274	-0.164	50	10	BBGE	
C#CCCCNC(=O)NNC(=O)[C@H]1CCCO1	1672457104	QDDYHZNSDYYJSR-SECBINFHSA-N	239.275	-0.091	50	10	BBGE	
C#C[C@@H](NC(=O)NNC(=O)C(=O)OC)C(C)C	1683074162	LUVDMOVJBVHZBO-SSDOTTSWSA-N	241.247	-0.852	50	10	BBGE	
CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)F	1876636274	VSIMHKMWLSXKGY-RFZPGFLSSA-N	210.230	-0.950	50	10	BBGE	
O=C(O)CS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883563478	LHKURMUJMWETCK-RFZPGFLSSA-N	227.669	-0.382	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCOCCN1	1883643682	CPLWOJHUVLHNGY-NKWVEPMBSA-N	204.657	-0.023	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H]2Cl)COC1	1883644036	FCYCDZMXMKXTKH-WDSKDSINSA-N	204.657	-0.542	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@H](C)Cl	1883710299	BGMAKHHAOSJAAD-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1CCCCl	1883965137	PGYWBUVFEOJETN-PRJMDXOYSA-N	209.673	-0.986	50	10	BBGE	
CO[C@@H]1C[C@H](NS(=O)(=O)CCl)C[C@@H]1O	1887066418	LPBKEKCNZCYXMS-DSYKOEDSSA-N	243.712	-0.360	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)F)CC[C@H]12	1887186825	SJZUHXRERKGAFA-WHFBIAKZSA-N	200.169	-0.330	50	10	BBGE	
CC(=O)CCC(=O)NN(C)S(C)(=O)=O	1888572429	VCEUGRGEFUMVPR-UHFFFAOYSA-N	222.266	-0.722	50	10	BBGE	
OB(O)c1cscc1CN1CCSC1	1892119373	IIEHDSOYCHESON-UHFFFAOYSA-N	229.135	-0.066	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCO[C@@H](CO)C1	1893470941	YDHTVKQPQRHFIT-PRJMDXOYSA-N	219.668	-0.167	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)C[C@H]1C	1895121185	GHECBWMBFRIMFV-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1CCCN1	1901339699	RSSYSFXMOUSZKH-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CCC(=O)N2)C1	1902513595	RVNYUOVNTHXSCJ-WPRPVWTQSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1902521028	FBUQSSRQZOCYJS-VGMNWLOBSA-N	227.069	-0.656	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@H](F)C1	1904938188	XXPMRBVVWWFIOZ-ZKCHVHJHSA-N	225.028	-0.112	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1O[C@H]2CC[C@H]1C2	1905139934	WCYLPYJVBLNWBT-XFWSIPNHSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2CCC[C@H]2C1=O	1905542496	XJLGURLUDVQKMX-BIIVOSGPSA-N	239.275	-0.460	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CC1(C(=O)NN)CC1	1914255792	MVZTVKSUMZYOMG-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
N#CC1=CCN(C[C@H](O)CC(=O)O)CC1	1917108164	GHZXCIQJHBBPTJ-SECBINFHSA-N	210.233	-0.022	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNC(=O)C(F)(F)F	1923393272	CKCSBMNBUZJSCM-UHFFFAOYSA-N	237.141	-0.564	50	10	BBGE	
CON(C)Cc1ccc(C)c(B(O)O)c1	1928681880	JYRLOVVLIGZHPQ-UHFFFAOYSA-N	209.054	-0.332	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2nnn(C)n2)C1	1928754654	DFFXHVBMBIRVLZ-NKWVEPMBSA-N	230.703	-0.779	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2CS3)CC1	1931260676	SBYIKYFUFOJYNP-JGVFFNPUSA-N	227.333	-0.054	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1F	1932370284	BMMCHTOMJOECQX-RNJXMRFFSA-N	203.261	-0.098	50	10	BBGE	
O=C(Cn1cncn1)NC[C@@H]1COC[C@@H]1Cl	1939165595	CBXDTTGVDQAKCK-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
Cn1cc(C(=O)NC[C@@H]2COC[C@H]2Cl)nn1	1939173786	UPJNFKHNCGVDDF-RNFRBKRXSA-N	244.682	-0.201	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1C	1944324210	PVWDXWDZDQAFSL-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)[C@@H]2COC[C@@H]21	1955240626	OWHMNYPLXBFHRP-UYXSQOIJSA-N	216.668	-0.191	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C[C@H](O)CCl	1960163624	MLPFAHBTNGZHJZ-ZCFIWIBFSA-N	234.683	-0.677	50	10	BBGE	
Cc1ncnc(OCC(F)F)c1B(O)O	1961694197	LANSJBBSNJJPSU-UHFFFAOYSA-N	217.968	-0.891	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)[C@H]2CC[C@@H]1C2	1975152875	PSPSMEKUAIPPAE-DJLDLDEBSA-N	213.281	-0.788	50	10	BBGE	
CNC(=O)C1(NC(=O)NC(=O)CCCl)CC1	1976521552	WRPZDOXZKLXSEQ-UHFFFAOYSA-N	247.682	-0.280	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1ccnc1	1980595348	XTFDSAOXCCOFDS-UHFFFAOYSA-N	220.236	-0.732	50	10	BBGE	
OB(O)c1cccnc1N1CCC(F)(F)C1	1981423283	BMTVUICMRYWQIS-UHFFFAOYSA-N	228.007	-0.393	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ccncc1B(O)O	1981431494	ZMOHMMHTSFQTKL-XCBNKYQSSA-N	223.037	-0.825	50	10	BBGE	
Cc1nc(N(C)CC(F)F)ncc1B(O)O	1981446588	BAYHKYGJOKPNBQ-UHFFFAOYSA-N	231.011	-0.834	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982263900	DYVXBQJDIJXCQI-AATLWQCWSA-N	227.308	-0.563	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@H]2CCOC[C@@H]2C1	1984480465	CCIWLPZPEHBLQG-GUBZILKMSA-N	227.308	-0.406	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCNC2=O)C1	1985357158	MLQMTZRQQMPFCT-SFYZADRCSA-N	226.280	-0.582	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC=C[C@@H]1CO	1985649062	RSCXEHDQVWDMOW-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](F)C1	1985767270	MFANIDWYOUPFJA-LURQLKTLSA-N	233.262	-0.006	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CC1(F)F	1990776588	MWKSZJHFROHPNU-ZETCQYMHSA-N	235.234	-0.259	50	10	BBGE	
O=C(O)[C@H]1CN(CC2CC(Cl)C2)C(=O)CN1	1991699287	BUYOWUKJLFXSGM-KAVNDROISA-N	246.694	-0.111	50	10	BBGE	
C=C(CN(C)C[C@H]1C[C@]12CCOC2)B(O)O	1992154362	XPLKLUIIFPHQDR-MNOVXSKESA-N	225.097	-0.087	50	10	BBGE	
C/C=C/CNC(=O)c1ccccc1B(O)O	1992837454	YMDUQCXLNLHFIC-NSCUHMNNSA-N	219.049	-0.328	50	10	BBGE	
Cc1nc(CN(C)C[C@H]2C[C@@H]2C(=O)NN)no1	1997753036	VAEDHYXPRCQBMN-SFYZADRCSA-N	239.279	-0.564	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCCCNC1=O)C(=O)NN	2004251026	YUEVWUGPBJNPIU-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1CC1(C(=O)NN)CC1	2004910776	ZAIPZVATGLXFLL-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1ccnc(N2CCO[C@H](C)C2)c1B(O)O	2004919086	ULAZLRNJMVHGGW-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]2C(F)F)n1	2004973676	YIGQVSWYWIWRTD-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
COc1nc(N2CC[C@@H](C)C2)ncc1B(O)O	2005014184	HVRWXSLCFMWMIG-SSDOTTSWSA-N	237.068	-0.989	50	10	BBGE	
CCn1ccn(CCC(F)(F)C(=O)NN)c1=O	2008866508	INHLOHDZBVCHTK-UHFFFAOYSA-N	248.233	-0.315	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]2COC[C@H]21	2017524878	KEINNNMNDMTJPJ-KXUCPTDWSA-N	243.307	-0.900	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2021112009	YLXBCMMKORFOEM-XLPZGREQSA-N	243.018	-0.591	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@H]2[C@H](C1)C2(F)F	2021157811	RGJZZRVYSNMSBH-YUMQZZPRSA-N	243.018	-0.591	50	10	BBGE	
NNC(=O)c1coc(CN2[C@@H]3COC[C@H]2C3)c1	2021404703	TZZXGCOBAZQTSZ-DTORHVGOSA-N	237.259	-0.144	50	10	BBGE	
COC[C@H](C)COC[C@H]1CC[C@@H](C(=O)NN)O1	2026062171	PUBRAWIRNMWECS-AEJSXWLSSA-N	246.307	-0.177	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](OCCCO)C1	2026096951	SPUOVHFUIGIZIP-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@]2(CCCO2)C1	2052467368	PQWKPGXTZZKCIT-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
CN(Cc1nccn1C)c1ccc(B(O)O)cn1	2052471166	CQCBFZHFBJZWLW-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]3CC[C@H]32)n1	2052619460	FVMMUFBTGANWMF-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
Cc1ccc(NC(=O)CC2COC2)cc1B(O)O	2056493203	GLEJUWNWFWMLKX-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2070844080	QLRFUWVZFWSLNS-ATGAPMQESA-N	244.103	-0.148	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070851901	OMCXZFHBFXZWGQ-WKTZZZGZSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H](F)C2)c1	2212600662	FBTCHXWGFCNZID-SECBINFHSA-N	224.044	-0.300	50	10	BBGE	
C#C[C@@](C)(CC)Nc1ncccc1B(O)O	2212610860	QCGCRRNYDLQRMC-NSHDSACASA-N	218.065	-0.025	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H](O)C[C@@H](F)C1	2215775496	HHRBCOZPMQIUST-KYXWUPHJSA-N	245.298	-0.593	50	10	BBGE	
OB(O)c1cncc(OC[C@@]2(F)CCOC2)c1	2216334479	CSYORBPJZPKBCG-SNVBAGLBSA-N	241.027	-0.731	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@@]3(F)C2)nc1	2216599119	YQOVHTRAQOBOKL-OIBJUYFYSA-N	237.043	-0.905	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]32)CCCC1	2216881845	QBTJYWARXDPZFP-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](N)CCCCOc1ncccc1B(O)O	2217173108	NBDVGNWXYBQVFG-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
CCC(CC)(CN)Nc1ccc(B(O)O)cn1	2217173549	SDMIOQMWDISTKA-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
CCCN(CCN)c1cc(B(O)O)c(C)cn1	2217181993	XVCASAOUQRJLAF-UHFFFAOYSA-N	237.112	-0.755	50	10	BBGE	
CN[C@H]1C[C@@H](Oc2nccc(B(O)O)c2F)C1	2217185994	FDIFPNFHLFFQAG-KNVOCYPGSA-N	240.043	-0.970	50	10	BBGE	
N[C@@H](COc1ccc(B(O)O)cn1)CC1CC1	2217193531	VGRBEHWEPLMROX-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
NC[C@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217202323	JPFKJUWKRAZUBF-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC12CCC2	2217409885	YHFZHMYHNAAHOT-MRVPVSSYSA-N	234.064	-0.887	50	10	BBGE	
Cn1cccc(N2[C@H]3CC[C@H]2C(=O)OC3=O)c1=O	2217990124	QEOFKYUNSNNDNR-IUCAKERBSA-N	248.238	-0.194	50	10	BBGE	
Cc1cnc(OC[C@@]23CNC[C@H]2C3)cc1B(O)O	2223619110	VZMWYDQDAJXMHS-BXKDBHETSA-N	248.091	-0.942	50	10	BBGE	
CCc1cnc(CNc2cc(B(O)O)ccn2)o1	2223646073	FZDQLTDYMHCLJE-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2COC3CC2C3)[nH]c1	2223650082	HZNBSJINULTNCD-INWMGODYSA-N	248.091	-0.980	50	10	BBGE	
OB(O)c1cnc(=NCC2CC(=C3CC3)C2)[nH]c1	2223675529	XGOPSFMAMCOJHF-UHFFFAOYSA-N	245.091	-0.509	50	10	BBGE	
CO[C@@H]1CN[C@@H](CNC(=O)F)[C@H]1OC	2241270806	SBUHEBWBQBKFBM-RRKCRQDMSA-N	206.217	-0.333	50	10	BBGE	
CCC1(C)CN(C(=O)NNCCO)C1	2241492482	ZNONVLCFGBMDSQ-UHFFFAOYSA-N	201.270	-0.075	50	10	BBGE	
O=C(NCC1(F)CC1)[C@H]1C[C@@H]1B(O)O	2241495538	KHISBVIDGGUGAX-WDSKDSINSA-N	201.006	-0.532	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NOC(C)C	2243348089	SXSXIJQGOLTWDT-UHFFFAOYSA-N	227.025	-0.662	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1csc(B(O)O)c1	2243349639	OGQQEQLJUQDMIW-KPCSLPGQSA-N	239.105	-0.188	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCC[C@@H]21)C1(B(O)O)CCC1	2243365473	NBTRDKAHZSMLPA-PRJMDXOYSA-N	225.053	-0.713	50	10	BBGE	
C[C@H]1COCCN1C(=O)C1CC(B(O)O)C1	2243392694	WHHUWJFERXDHHJ-UEJVZZJDSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396254	JTXXHFPKTOBHGC-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243398656	GLGDTNJICBGWNM-ZETCQYMHSA-N	224.069	-0.531	50	10	BBGE	
C[C@H]1SCCC[C@H]1N(C)C(=O)C#CB(O)O	2243399645	OJMDMJGPFRLQFS-RKDXNWHRSA-N	241.121	-0.256	50	10	BBGE	
CC(C)(CCN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243403902	FSSDADNLRKFWRS-OCAPTIKFSA-N	228.101	-0.517	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1cscc1B(O)O	2243411287	QYIHTARVDFBTGT-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)co1	2244206176	SLOPJCCPWJRVAN-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
C#C[C@H]1CCN1c1cc(B(O)O)c(Cl)cn1	2245913380	QMEOYAGXBUACPK-ZETCQYMHSA-N	236.467	-0.373	50	10	BBGE	
Cn1c(O)cn(CCC(C)(C)C(=O)NN)c1=O	2247169460	CKPDRNWXRFASKC-UHFFFAOYSA-N	242.279	-0.701	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@H]2CC[C@H]12	2247721768	HQBFJHMYKZQPDW-BQBZGAKWSA-N	235.048	-0.594	50	10	BBGE	
O=C(N1CC2(CC(O)C2)C1)C1(B(O)O)CCC1	2247733338	ATBXLCPZKKDFSX-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)oc1C	2247739192	YTHHMRXLMQECTG-IONNQARKSA-N	237.064	-0.204	50	10	BBGE	
NCCN(CC1CC1)C(=O)C1(B(O)O)CCC1	2247750190	GARDNSAWHHGGBQ-UHFFFAOYSA-N	240.112	-0.419	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)C1(B(O)O)CC1	2247754624	GTLYZNPJOGMHEN-DJLDLDEBSA-N	239.080	-0.608	50	10	BBGE	
O=C(NCC1(F)CCC1)c1occc1B(O)O	2247756205	MTBPWQBNFGTQHX-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccc(F)cc1B(O)O	2247759765	WIPWYQUAFINWLQ-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2247799810	IMSQTJMPDXVAMG-JLIMGVALSA-N	241.096	-0.341	50	10	BBGE	
CCN[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247850876	AVQFIUHHBJUAKV-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cc(B(O)O)cn1C	2247868999	KBMYFCRHFXBYTD-MRVPVSSYSA-N	238.096	-0.425	50	10	BBGE	
COC[C@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)OC	2247888272	XXSOJUMCGNEVGF-MRTMQBJTSA-N	245.084	-0.983	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)[C@H]1C[C@@H](B(O)O)C1	2247893497	SXNCTIMNGTVLIP-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)C1CC(B(O)O)C1	2247893546	UNQZCVIFNVQAMC-UHFFFAOYSA-N	243.112	-0.095	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248573203	APQFGGAJYFIXOH-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
CC#CC(=O)NCc1ccc(B(O)O)cc1F	2248966706	NMAHBUPTGQLIGE-UHFFFAOYSA-N	235.023	-0.855	50	10	BBGE	
C=C(F)CNC(=O)c1ncc(B(O)O)cc1C	2248969657	HEIQIIGQZPVVHR-UHFFFAOYSA-N	238.027	-0.717	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cc(B(O)O)oc1C	2255449876	QLBHXHUFHDULLB-SECBINFHSA-N	249.075	-0.200	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CCCN2	2255465943	QYHCBAYZHONOJG-UHFFFAOYSA-N	244.059	-0.001	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC[C@@H]2C[C@@H]21	2255508075	IFNJKRMKVRKPEF-SCZZXKLOSA-N	248.091	-0.671	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2cncc(B(O)O)c2)C1	2255521783	AVVJGVOCAIYPMB-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1cc(B(O)O)n[nH]1	2255549368	GPCHMMMVZMZIOD-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cc(B(O)O)n[nH]2)CC1	2255549484	HFGCRHDUGHLRRX-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)n[nH]2)CCCC1	2255549998	JHWIZYMVLQPELT-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
O=C(NCc1cccc(CO)c1)[C@H]1C[C@@H]1B(O)O	2255567908	GXVGDBBAADTHAT-QWRGUYRKSA-N	249.075	-0.342	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2255718453	ZONLMBKOVRCIAU-IUCAKERBSA-N	244.059	-0.838	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)c(F)c1	2255724162	LUBQTZKGXCRMAE-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2cocc2B(O)O)C1	2258122418	BUAWZCZHDQXYGJ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)C(=O)[C@@H]1C[C@@H]1B(O)O	2298377129	GAMURDBJRKJEMF-LOLPMWEVSA-N	239.080	-0.657	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1C[C@H]2O	2300201051	KHZPYIYFBILIHD-UNQZSWDGSA-N	241.335	-0.154	50	10	BBGE	
C#CCCCOCc1nn(C)cc1C(=O)NN	2300776159	WZDSUQCVBIRYNB-UHFFFAOYSA-N	236.275	-0.046	50	10	BBGE	
CC=C(C)C(=O)NCc1ccc(B(O)O)cc1	2301737876	QTMDUTKNONTXDU-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
CC(=CC(=O)N1CC[C@@](C)(B(O)O)C1)C(=O)O	2303114198	JPVVIBISUBYRHM-SNVBAGLBSA-N	241.052	-0.517	50	10	BBGE	
C[C@@H]1[C@H](Nc2cc(B(O)O)c(F)cn2)C1(F)F	2303835411	WTGNJHBDCQLDFI-VHWMUFPASA-N	245.997	-0.034	50	10	BBGE	
CCCOCCOc1cc(B(O)O)c(F)cn1	2303848507	AIMZTHRLPJCQEM-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccccc1B(O)O	2311430783	LXLVPCBTFNMJLB-QRTLGDNMSA-N	245.087	-0.105	50	10	BBGE	
C[C@H]1CN(c2ccc(C=O)c(B(O)O)c2)CCO1	2317309169	QEWGHRSAKCOQEG-VIFPVBQESA-N	249.075	-0.596	50	10	BBGE	
O=C(N=c1ccc2nccn2[nH]1)C1(B(O)O)CC1	2326729422	QCUXDFHUVBJORN-UHFFFAOYSA-N	246.035	-0.903	50	10	BBGE	
C[C@H](O)CN(C)CCCCCC(=O)NN	70596862	LRKFGFVAPXCUPV-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)CS(C)(=O)=O	167617175	JYVFTZCQPCNOPU-RXMQYKEDSA-N	249.741	-0.465	50	10	BBGE	
CC(C)[C@@H](N)C(=S)N1CCC[C@H]1B(O)O	210105546	SBBQYCLBXQJVIG-JGVFFNPUSA-N	230.142	-0.227	50	10	BBGE	
OB(O)c1cccc(OCCOC2COC2)c1	218892122	OUAVPIYTMNRFGE-UHFFFAOYSA-N	238.048	-0.839	50	10	BBGE	
NNC(=O)CNC(=O)c1ccc([N+](=O)[O-])s1	231511587	KXLFJRJGQVUWHP-UHFFFAOYSA-N	244.232	-0.624	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1C	232418812	ZMRQEJVVIDYUHK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O[C@H]1CN(CCCBr)C[C@@H]1O	236573511	UJXFURHQKOYZKU-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
CNc1nccc(C(F)(F)F)c1B(O)O	238355730	XYDTXTCVHXHQMF-UHFFFAOYSA-N	219.959	-0.178	50	10	BBGE	
OB(O)c1ccc(OC(F)(F)F)c(O)c1	238624759	RYACJWNFTQLZKM-UHFFFAOYSA-N	221.927	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C)C[C@H]1C	300354230	CTWHHLBHIYPGDR-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1c(F)cncc1Br	306370320	LVHMEZOTGYKKGH-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)C2CC2)CCCN1	309489854	ICEVEFULUJZNCN-SNVBAGLBSA-N	211.265	-0.314	50	10	BBGE	
C[S@](=O)C1(CN2CC(=O)OC(=O)C2)CC1	380141168	MLKIJHKCZFCLEE-HNNXBMFYSA-N	231.273	-0.717	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@](C)(CO)C1	381383393	PWQDNSPLDRONFF-NGZCFLSTSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1[C@H](N)CCN1CC(=O)NNc1ccccn1	385156846	FLRARQJTPZFXDI-VHSXEESVSA-N	249.318	-0.054	50	10	BBGE	
CC[C@@H](CO)N(C)[C@@H](C)CCC(=O)NN	393282881	HRMWSSYDRNUCRO-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1F	397074660	LARLTGSJCKFEDX-NXEZZACHSA-N	227.044	-0.724	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)CC(N)=O	397747437	ZKHWXJLSDSQPAX-YFKPBYRVSA-N	237.350	-0.684	50	10	BBGE	
C=CCNC(=O)NCc1cc(B(O)O)cs1	405109985	BYDFAHVCYHQTMR-UHFFFAOYSA-N	240.093	-0.587	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C[C@@H](O)C[C@@H]2C1	405554483	AHSCPHSTFDZGKE-YIZRAAEISA-N	232.711	-0.109	50	10	BBGE	
OC[C@@H]1O[C@H](Br)[C@@H](F)[C@@H]1O	690705417	RTWYWCZOGUBRHY-KLVWXMOXSA-N	215.018	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](N2CCC2)C1	702298877	ASISMCLNHDOIFF-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703809751	WEGAMZAVAQWWLG-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)C1CC(NC(=O)NC(=O)CCCl)C1	716704231	BDMUDZLZOKUWOA-UHFFFAOYSA-N	247.682	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696314	BVVJJEICNGGNNY-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
CC(C)=C(C)C(=O)NNC(=O)[C@@H]1COCCO1	751409424	YFLNOLFRNPLNJD-VIFPVBQESA-N	242.275	-0.095	50	10	BBGE	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)[C@H]1CCCO1	908379842	IMQPAUYJELRLLD-DJLDLDEBSA-N	244.291	-0.280	50	10	BBGE	
CN1CCC[C@@](O)(CC(=O)NN(C)C2CC2)C1	911295320	IRUYAKNNWAJCPG-GFCCVEGCSA-N	241.335	-0.041	50	10	BBGE	
C[C@H](O)c1ncc(C(=O)NN(C)C(N)=O)s1	1137623455	FQDSQNMHVBDORZ-BYPYZUCNSA-N	244.276	-0.148	50	10	BBGE	
CN1CC[C@@H](CC(=O)N2CC[C@@H](B(O)O)C2)C1	1262159668	FIYQTQWJKKYVGL-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)Cc1cc[nH]n1	1330821540	FHLFITFHZDPHSU-SSDOTTSWSA-N	235.247	-0.351	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2c(N)ncnc2c1	1539517855	HTRJOIWOQHUQRC-UHFFFAOYSA-N	245.242	-0.007	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1ncncc1F	1569731017	DQQKUYFZJUKJFL-UHFFFAOYSA-N	237.198	-0.201	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cc(C=O)c[nH]1	1638762235	PUUGRJQSSZPTOA-UHFFFAOYSA-N	239.231	-0.641	50	10	BBGE	
NC(=O)NC(=O)CNC[C@H]1C[C@H]1Cl	1883550493	FNHQPWAGPFWNTM-RFZPGFLSSA-N	205.645	-0.602	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883645541	PTHIZCVTXADXGG-MVIOUDGNSA-N	207.657	-0.528	50	10	BBGE	
CN(Cc1ncn(C)n1)C[C@@H](O)CCl	1885121653	RPFHTNQRADPIEC-ZETCQYMHSA-N	218.688	-0.153	50	10	BBGE	
CC[C@@H](CN(C)[C@@H](C)C(=O)NN)OC	1887657061	JZCGJXQFDKSNPL-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
O=C(NC1(C(=O)O)COC1)[C@@H]1C[C@@H]1Cl	1893453024	KBKJTWGSDLKHEW-UHNVWZDZSA-N	219.624	-0.417	50	10	BBGE	
C=C(CN1C[C@@H]2CC[C@H](C1)N2CC)B(O)O	1899569693	VNPYUGVNCPHYBI-PHIMTYICSA-N	224.113	-0.277	50	10	BBGE	
C=C[C@@H](CCl)NC(=O)C1CS(=O)(=O)C1	1901504657	MFPFWFGCPVKUSP-ZETCQYMHSA-N	237.708	-0.059	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H](F)C1=O	1901646351	GPVZRAFJOVWAOJ-YFKPBYRVSA-N	239.197	-0.428	50	10	BBGE	
Cn1cc(CN2CC[C@](C)(B(O)O)C2)cn1	1902516508	CEDZGADZFBSVOH-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H](C1)O2)C(=O)NN	1902714971	BJGYKORNBPBFST-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
Cc1scc(C(=O)N[C@@H]2C[C@H]2C)c1B(O)O	1902865632	VOMGNGNMFLHMEX-SVGQVSJJSA-N	239.105	-0.125	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCC#CCO	1902885874	BMGWZJUJMMFIBZ-RKDXNWHRSA-N	223.228	-0.711	50	10	BBGE	
NNC(=O)CN1CCC[C@H](O)[C@@H]1C(F)(F)F	1903052555	ZAIPIKGSUZAVDH-CAHLUQPWSA-N	241.213	-0.636	50	10	BBGE	
C=C(COC[C@H]1C[C@H](S(C)(=O)=O)C1)B(O)O	1905171898	RDUXKUUFDFSNDP-KYZUINATSA-N	248.109	-0.606	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1908898501	IPRDALHJKNZOIK-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C(F)(F)F	1913622143	VZRCIPUXYOQKGV-UHFFFAOYSA-N	233.942	-0.738	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H]1C	1914334663	JNIUUXHWYBAGRF-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@@H]1CCS1(=O)=O	1930859337	MYEIFEITNMFDDY-RITPCOANSA-N	225.697	-0.083	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN1CC(=O)OC(=O)C1	1932191888	ZLSDRVWZMDCPGD-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cc([N+](=O)[O-])cn1	1936081965	BIRFYMXJNBUQKS-IYSWYEEDSA-N	225.208	-0.583	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936090635	JATHIVKCHJUCML-UTINFBMNSA-N	227.308	-0.421	50	10	BBGE	
CC1(C)COCCN1C[C@H]1C[C@H]1C(=O)NN	1936093593	FYCRYZDZRWJVRR-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)COCCSc1nccc(O)n1	1936533009	JZGXNGSCGQVJMZ-UHFFFAOYSA-N	244.276	-0.719	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1937462644	LWRYDPKXGXYFFL-FKTZTGRPSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1N(C)C	1941083714	SSKUFWLKWNSCKE-UKKRHICBSA-N	240.351	-0.506	50	10	BBGE	
COC[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941093321	GHLDRKKHGIMXFD-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C2CCC1(CO)CC2	1941094913	PSPZXYVUGDHZCV-GWFPEYJASA-N	239.319	-0.398	50	10	BBGE	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNCCO	1944215319	GZCRGFXFTGBRSY-UHFFFAOYSA-N	239.231	-0.250	50	10	BBGE	
COc1ccccc1OCC(=O)NNCCO	1944217080	DISGNLUIWGJGJC-UHFFFAOYSA-N	240.259	-0.313	50	10	BBGE	
CCCn1nccc1Cn1cc(B(O)O)cn1	1945467794	FCAYXDKLRZYKOM-UHFFFAOYSA-N	234.068	-0.782	50	10	BBGE	
C[C@@]1(O)CCCN(CC2(C(=O)NN)CC2)CC1	1945882385	GZNJVPUBJRHVQN-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(CC1(C(=O)NN)CC1)C2=O	1946990846	NEQSCCQZMGYYTG-WKEGUHRASA-N	237.259	-0.849	50	10	BBGE	
N#C[C@@H]1CCN(S(=O)(=O)N=C=O)C1	1954790896	JPBPCHJWWOQWFV-LURJTMIESA-N	201.207	-0.588	50	10	BBGE	
COC[C@H](C(=O)NN)N(OC)C1CCC1	1960109119	PBMPMNQPLPTCBX-MRVPVSSYSA-N	217.269	-0.593	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H](O)C1	1961139746	ZUQTYYBSXJAMHC-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@@]12CC[C@@H](CO1)C2	1967589649	ZDUPAPNSROZOCF-KKZNHRDASA-N	239.080	-0.369	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCN(CC(N)=O)CC1	1976933166	MCKNXIGXYOXSQV-QMMMGPOBSA-N	247.726	-0.367	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H](O)C1CCCC1	1979849678	QPEODBKIISRPFR-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](c1ccccn1)N(C)C(=O)C(=O)NN	1980752240	WVBSZYWCDZQRQI-SSDOTTSWSA-N	222.248	-0.409	50	10	BBGE	
Cc1ncnc(O[C@@H](C)C(C)C)c1B(O)O	1981424584	VTVYWVHUVRQGQK-QMMMGPOBSA-N	224.069	-0.112	50	10	BBGE	
OB(O)c1cnc(N2CC(CF)C2)c(F)c1	1981469449	SOBQCEMMTYKMDA-UHFFFAOYSA-N	228.007	-0.694	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H]1F	1982808997	PESXNKHOORTLCW-BQBZGAKWSA-N	224.000	-0.942	50	10	BBGE	
COC[C@@]1(C)CCN1CC1(C(=O)NN)CC1	1982945432	WFLWFYFDUQLJJP-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCCO[C@H]21	1983238848	MXJFTRFDXAYQOT-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCOC[C@H]1F)C(=O)NN	1987226244	WSKMTXYXKFKJAP-HLTSFMKQSA-N	233.287	-0.329	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cccc(N)c1C	1989371763	ZTYHMZXDBIZICL-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl	1991440050	WXLZRYJPMPCSSK-BBBLOLIVSA-N	245.754	-0.024	50	10	BBGE	
C=C(CN1CC[C@@H]([C@H]2CCOC2)C1)B(O)O	1992144698	CMKJJJJASARTCX-MNOVXSKESA-N	225.097	-0.087	50	10	BBGE	
COC[C@@H](C)OCc1nn(C)cc1C(=O)NN	2003510484	VTAWCYIRYGNCGG-SSDOTTSWSA-N	242.279	-0.425	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(n2cnnc2)C1	2003860459	PARWULYIASXXIA-YUMQZZPRSA-N	238.295	-0.851	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCCCNC1=O	2004250883	YAMGJSSYWYANIJ-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN1CCC[C@H]1[C@H]1CCCN1C(=O)C(=O)NN	2004364719	LRHLXMQDPNJABF-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
COC[C@H](C)N(C)c1ncc(B(O)O)cc1F	2005014799	QVIJXBFDBIKOSW-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
COCCN(C1COC1)[C@H](C(=O)NN)C(C)C	2018183610	YXISYWJCIWNNTA-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
CCO[C@@H]1CC[C@@H](C(=O)NCC#CB(O)O)C1	2021111116	VBHKXBRQJIESSL-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
CCN1CCCN(c2ncccc2B(O)O)CC1	2052491525	MDKKFMIKWPZFQP-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
CO[C@H]1CN(c2ncccc2B(O)O)CC12CC2	2052499110	OEJWPCIMXJEWRK-JTQLQIEISA-N	248.091	-0.623	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])c(B(O)O)cc1F	2060185104	ILSHXKUTUPRIRN-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CCOc1c(C#N)ccc(B(O)O)c1OC	2060203898	NVRZNBWWUDWDIY-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1nn(CC2(C(=O)NN)CCC2)c(=O)o1	2212264691	CJJAENUZNLMVME-UHFFFAOYSA-N	226.236	-0.695	50	10	BBGE	
NNC(=O)C1(Cn2cnccc2=O)CCC1	2212265227	GCRUWEWZLXQYDA-UHFFFAOYSA-N	222.248	-0.597	50	10	BBGE	
OB(O)c1ccnc(N2C3CCC2CC3)c1	2212601910	VVWPHIUXRZFVBK-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
Cc1cnc(NCC2CSC2)cc1B(O)O	2212603055	BUZSKVBDNFCBHJ-UHFFFAOYSA-N	238.121	-0.155	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1=CCCC1	2212716681	GTRORHMAOZYSST-UHFFFAOYSA-N	220.037	-0.967	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C[C@H](F)C1)C(=O)NN	2213884883	VQBVOWMMWOJVLT-IUCAKERBSA-N	247.314	-0.203	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	2215197810	GKNCDKLSHPEJQC-BWZBUEFSSA-N	249.261	-0.137	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C1(CO)CC1	2217174153	WOGIGNRGVBFGSN-QMMMGPOBSA-N	236.080	-0.666	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)Nc1ccc(B(O)O)cn1	2217185223	ZLXOKEUDEMYBLG-KCJUWKMLSA-N	238.096	-0.421	50	10	BBGE	
CCC[C@H](CCN)Oc1ncc(B(O)O)cn1	2217190519	OGEVJAYTRAAIAF-SECBINFHSA-N	239.084	-0.947	50	10	BBGE	
CCC[C@](C)(N)COc1ncc(B(O)O)cn1	2217191495	KGIRKIVDVISBDN-JTQLQIEISA-N	239.084	-0.947	50	10	BBGE	
C[C@@H](CC(C)(C)O)Nc1ncccc1B(O)O	2217200014	QGQJVTCYMAPQFJ-QMMMGPOBSA-N	238.096	-0.277	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCNC23CC3)c1	2223653577	JPHHSGJVDUHWHU-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCC3(CC3)NC2)c1	2223657347	ZZPAVIAVETYJFI-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(c2ncccc2B(O)O)C1	2223668217	XPSBAUWPMZGUBY-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
COc1ccc(Nc2cc(B(O)O)ccn2)cn1	2223669217	HMBADINSAJKMGS-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)ccn2)C[C@H]1CN	2223670283	VLVPVLUAAXKAHA-SECBINFHSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC23CCOCC3)nc1	2223674235	OGYPDKVVUFOACW-SNVBAGLBSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12CC[C@H]1CNC2	2223676763	FTJWMYRAZDFAHV-JOYOIKCWSA-N	247.107	-0.827	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ccnn1C	2223678164	YAIOLAWZQICESH-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
C[C@@H](c1nscc1B(O)O)N(C)C#N	2241554601	FMJYNBMQNAWDLX-YFKPBYRVSA-N	211.055	-0.703	50	10	BBGE	
C[C@]12CC[C@]1(C)CN(C(=O)C#CB(O)O)C2	2243350014	UIGJEBBOFVBUNV-GHMZBOCLSA-N	221.065	-0.350	50	10	BBGE	
C[C@H]1CCN(C(=O)C#CB(O)O)CC1(C)C	2243356990	PROOLHJEQBBOSI-VIFPVBQESA-N	223.081	-0.104	50	10	BBGE	
CC[C@H]1CNCCN1C(=O)C1(B(O)O)CC1	2243358656	IYMVPLULPPVINC-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C=C(C)CONC(=O)c1ccsc1B(O)O	2243358770	KVZPAGOZJSACCH-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
C[C@H]1COCC[C@H]1NC(=O)C1(B(O)O)CC1	2243363024	ADDITSUTCMQFJV-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CC(C)NC(=O)c1cc(F)ccc1B(O)O	2243366516	DFRFUVZJKWVZQL-UHFFFAOYSA-N	225.028	-0.356	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1sccc1B(O)O	2243376211	GLSLVQNBQCOEAJ-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
O=C(Nn1cccc1)c1cc(B(O)O)sn1	2243377622	DCNVYTFYWOZPPW-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)cs1	2243385586	LFJHPIXQZXLHQI-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2243391916	OXVUJLYTZWKCSK-RGOKHQFPSA-N	221.065	-0.233	50	10	BBGE	
C=C(C)CONC(=O)c1occc1B(O)O	2243397714	HYYXNDYEUDXXSY-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1coc(B(O)O)c1	2243399148	XQCAIIZZHOLXNK-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2243399998	UIKAGUBMQBPLKP-UHFFFAOYSA-N	222.053	-0.824	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1csnc1B(O)O	2243412834	UNFMZZVZAMUZJN-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N[C@@H](C)CF	2243414515	CFZNVRQLSCNXLM-BYPYZUCNSA-N	246.072	-0.781	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ncc(B(O)O)s1	2243713677	ZDBMBNCBHYXINM-LURJTMIESA-N	238.077	-0.579	50	10	BBGE	
COC[C@@H](OC1(C2CC2)COC1)C(=O)NN	2245017177	WUTSORYVZGEOLR-MRVPVSSYSA-N	230.264	-0.813	50	10	BBGE	
O=C1C[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CO1	2246288046	AOCURXHXSAJENA-ACZMJKKPSA-N	225.200	-0.782	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3CC2C3)n1	2247142088	GUWKLCRGOCEZAP-UHFFFAOYSA-N	234.064	-0.631	50	10	BBGE	
C[C@H]1OC2(C)CC1(NC(=O)C1(B(O)O)CC1)C2	2247750672	MRBBHEDUMUZENX-DUWLDVDNSA-N	239.080	-0.180	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)n1	2247754105	DZNXXMRPOMKIIM-RCOVLWMOSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H](CN)C1	2247755036	ILGGULISHJTFOH-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CN(CCCCCN)C(=O)C1(B(O)O)CCC1	2247755312	PERGSRONWGQSFT-UHFFFAOYSA-N	242.128	-0.029	50	10	BBGE	
Cc1cc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)cc(C)[nH]1	2247790394	GYONYEFRFRUWEN-ZJUUUORDSA-N	234.064	-0.078	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@H]1B(O)O	2247791028	KSUYDBZOVPICQJ-SOYHJAILSA-N	238.096	-0.752	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247791219	LVMMLVPGMXAOBN-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
Cc1cn(C)[nH]c1=NC(=O)C1CC(B(O)O)C1	2247799572	FQIVBRRQCONFEX-UHFFFAOYSA-N	237.068	-0.658	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1Cc2conc2C1	2247799648	GIQJXOXYWAIWFH-UHFFFAOYSA-N	236.036	-0.230	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2247799811	IMSQTJMPDXVAMG-KYXWUPHJSA-N	241.096	-0.341	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2C[C@@]2(O)C1	2247807412	RAQMYCJKGQCQFZ-TURQNECASA-N	239.080	-0.777	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CO1	2247851453	YRORTJPJBDZGHT-BDAKNGLRSA-N	239.080	-0.678	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C2(B(O)O)CC2)CO1	2247870735	OYFGXZIEVVMQSM-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
Cc1cccc(C(=O)NCC2CC2)c1B(O)O	2247873579	DSHUSPQTPZZGNO-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)oc1B(O)O	2247890371	LGILFFCAFJUQEL-SFYZADRCSA-N	237.064	-0.252	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)OC	2247895200	PYZCLEONFRHQFR-GJMOJQLCSA-N	243.068	-0.693	50	10	BBGE	
CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247895575	UCSIDXZIWGDQAH-UTLUCORTSA-N	242.128	-0.448	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCOC1	2247896280	GCZAIAIHEMCABD-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896977	MKMPHPDILCQLJQ-GUBZILKMSA-N	243.112	-0.237	50	10	BBGE	
O=C(NCCCc1ncc[nH]1)[C@H]1C[C@H]1B(O)O	2247897684	WBXFQIXAGKPMIT-JGVFFNPUSA-N	237.068	-0.679	50	10	BBGE	
C[C@@H](N)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247900695	ZADFPINRJDJGFK-FKTZTGRPSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)C1CC(B(O)O)C1	2247908995	CYAGMYBYEUJIHY-SPGGCIFMSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C(=O)O	2248576883	JHOKJJKIJVJVLA-XUTVFYLZSA-N	241.052	-0.829	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1cc(B(O)O)co1	2249428184	OAHVFTQBCFHHLT-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250702374	GJVXWOFNLWTYPT-PSASIEDQSA-N	238.096	-0.809	50	10	BBGE	
C#CCOC[C@@H](C)Oc1ncccc1B(O)O	2253015438	RIMQIJHUZVBOCI-SECBINFHSA-N	235.048	-0.822	50	10	BBGE	
C[C@H]1CCN1C(=O)NCc1ccc(B(O)O)cc1	2254061342	FPQPANYLVOHIKS-VIFPVBQESA-N	248.091	-0.330	50	10	BBGE	
O=C(NCCc1ccco1)c1ccoc1B(O)O	2255468605	DCSQIRZEKZIZSI-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
Cc1cc(NC(=O)c2ccoc2B(O)O)ncn1	2255468815	HEDRWDPTUDHLPT-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCc1ccoc1	2255507782	DJXVKWYFBICMFG-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@@H]3C2)ccc1B(O)O	2255510231	UACQIJGVTPAQOV-GHMZBOCLSA-N	245.087	-0.233	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@H]2CCC[C@@H]21	2255553033	SMQJNAWNBDWCEY-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
C#CCCN(C(=O)c1ccoc1B(O)O)C(C)C	2255680353	QSIMIKPGWRUACH-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CC=CCO1	2256605980	PEEVKPAYWKGPMV-LLVKDONJSA-N	247.059	-0.350	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1cc(B(O)O)co1	2258120419	BJTMIVKUFCRLSK-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
COc1cncc(C(=O)NCCC#CB(O)O)c1	2258961975	ATYHMSRJSPXWGI-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)C1O	2298369301	PXRLXHHSWPEKSC-MAUMQABQSA-N	241.096	-0.675	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298370080	NPDDEKGJGMBEGC-ZYUZMQFOSA-N	240.112	-0.789	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)C(=O)[C@@H]1C[C@H]1B(O)O	2298371657	RDZXKQSWOCQAMS-PEBGCTIMSA-N	239.080	-0.800	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@H]2CO1)[C@H]1C[C@H]1B(O)O	2298375527	NLTYMXWYXJUOFE-SQQIUAQRSA-N	239.080	-0.610	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2298463736	ZOXRUYSQNIHLST-RLMOJYMMSA-N	241.052	-0.925	50	10	BBGE	
COc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	2298953389	RLWNAZTXAWDXCG-IONNQARKSA-N	237.259	-0.517	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC2(CCO2)C1	2300394463	VCJRVUBWLSDBFV-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
C/C(=C/C(=O)Nc1cccc(B(O)O)c1)C(=O)O	2314009726	XDYQEJZQJOMVRK-ALCCZGGFSA-N	249.031	-0.664	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCNC1CC1	2317209977	XSBUKESGAYOZJF-UHFFFAOYSA-N	246.075	-0.631	50	10	BBGE	
CCN(CC(=O)NC)C(=O)NC(=O)[C@@H](C)Cl	42517089	POTAXWXBDVGSBM-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC[C@@H](Cl)C1	69717267	AMCKALSAPWCMDZ-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NN	82470496	JLXNKVDFCJFKPR-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC(C)(CN1CCC[C@H]1CO)C(=O)NN	86597928	SHYZLTPKBGLGIS-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O=C(NCCBr)c1c[nH]nn1	87601722	QBQQYBQBNFFLPS-UHFFFAOYSA-N	219.042	-0.071	50	10	BBGE	
NC[C@H]1CCN(Cc2ccc(C(=O)NN)cn2)C1	94763736	BMSKUYNMGRAGIE-SECBINFHSA-N	249.318	-0.534	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)[C@@H](C)Cl	130227103	XHKXNMQUTNITSQ-RNFRBKRXSA-N	234.683	-0.413	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCO2)O1	131216871	ZIDMGSNXLFHNKO-HRDYMLBCSA-N	242.275	-0.120	50	10	BBGE	
C[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)CCN1C	158876531	DZQVJWWSGGXLPF-IUCAKERBSA-N	226.276	-0.146	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](CO)C1	216468064	WFCIPFBFTYUDQJ-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)OC[C@@H]1C	216472297	ZHOCFRSOKZXKFO-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
COC[C@@H](CO)NC(=O)CCBr	229037115	IMWSFNZZPKLPIV-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCOCC1	232419247	KBWGPMUHWJVPGQ-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
C[C@@](O)(CBr)S(=O)(=O)O	238463849	NKXJNRLRKMKEHF-VKHMYHEASA-N	219.056	-0.022	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](C)COC	251190378	CGHMUHNIFHVOQH-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CCOCCO	304196367	BJZGRMNCBLYIJN-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
OB(O)c1c(CCl)ccc2[nH]cnc12	306882219	NEPZOASYSSFHLY-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1B(O)O	307523483	QDYJZSXYEIJDFY-NKWVEPMBSA-N	231.057	-0.631	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C)[C@@H](C)C(=O)NN	308287035	DXSVARXUPZPXBP-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
C[C@H](CN1CC[C@H](N(C)C)[C@H]1C)C(=O)NN	309753690	BLKAVWXQODALFK-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
CC(C)(O)C(=O)NN=C1CC(C(=O)O)C1	382191064	BTPHRGIMIYJKKS-UHFFFAOYSA-N	214.221	-0.276	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CNC[C@H]21)C1CC1	394527681	ZKMVITCBYXJNBL-JIGDXULJSA-N	209.249	-0.991	50	10	BBGE	
CC(C)(CCN1CCC[C@H](N)C1)C(=O)NN	395591263	KRGILRZLVJCASX-VIFPVBQESA-N	228.340	-0.184	50	10	BBGE	
CC(C)(CCn1cnc([N+](=O)[O-])n1)C(=O)NN	395623500	YPTFRVNIPDIIHV-UHFFFAOYSA-N	242.239	-0.408	50	10	BBGE	
O=CCCc1cc(CC(=O)O)cc(B(O)O)c1	396135257	WPGPHZSUXZTTTL-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
COC(=O)CCc1c(C)cccc1B(O)O	396141219	QFKCAXYWUZCJMZ-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
N#Cc1c(B(O)O)sc2cccc(CO)c12	396231033	ZGJTUJSJLHYFBH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1c(B(O)O)cc(C(=O)O)c2sccc12	396235452	BGGLIARNIUNWDL-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccncn1	396608369	DRAGCZCWWCAVMI-VIFPVBQESA-N	223.280	-0.323	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H](C)C[S@](C)=O	400003006	ZNSGNBUHLKDCBJ-PISXGGPESA-N	235.353	-0.546	50	10	BBGE	
CC[S@](=O)Nc1cc(C)ccc1B(O)O	404940208	DRJZIEYACATMOF-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnsn1	405007073	QIJRPXLSGKOOAK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCS(=O)(=O)Nc1ccccc1B(O)O	405013721	CPIAEIXZDOSXKR-UHFFFAOYSA-N	229.066	-0.872	50	10	BBGE	
Cc1nocc1C(=O)Nc1cccc(B(O)O)c1	405037571	WWEPYAJQJLIMHN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C1C[C@H]([C@H]2CCS(=O)(=O)C2)C(=O)O1	685961777	WJNLDMFLCWSTQO-NTSWFWBYSA-N	218.230	-0.489	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]2COC[C@H]21	690722506	YCMAUSDQKQLAFQ-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
CC(C)N(CCCC(=O)NN)C[C@H](C)O	692175641	PARVHKDUEJQNBZ-VIFPVBQESA-N	217.313	-0.152	50	10	BBGE	
CCS(=O)(=O)C1(CNC(=O)NN)CC1	693511127	NZPIWEWILCNIOR-UHFFFAOYSA-N	221.282	-0.873	50	10	BBGE	
O=C(NCB(O)O)c1cccc([N+](=O)[O-])c1F	702028789	FOJCOCZYXQJBJG-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H]1C(=O)OC2=O)C(N)=O	703425496	WFZWKAKHAFMEFC-BQBZGAKWSA-N	240.259	-0.586	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@@H]1CC[C@@H](C(=O)NN)O1	703551505	JTHOCNBISDFJSL-KATARQTJSA-N	244.291	-0.425	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)[C@@H]1C	706917319	WXYLEUCMDLFWOS-DOLQZWNJSA-N	227.308	-0.136	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCC[C@@H]1O	708051592	QLCPQYFRYYPDFP-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@H]1COC[C@H]1O	708125130	UCBFCUDCNIQVQX-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnc(B(O)O)c2)n[nH]1	716644412	NPVVMSLACVZMMA-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
COC[C@](C)(CO)NS(=O)(=O)CCl	716813319	FVKUVRYHEFIYEW-LURJTMIESA-N	231.701	-0.501	50	10	BBGE	
C[C@H](CN1CC[C@H](C(C)(C)O)C1)C(=O)NN	721778251	PNYAZMMTINSXAC-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@@H]1CCOC1	754343990	NALDKWPHSBUEOQ-SSDOTTSWSA-N	230.264	-0.405	50	10	BBGE	
O=C(NN=Cc1cc[nH]n1)[C@@H]1COCCO1	755754097	LQIKFBALWVDNAR-QMMMGPOBSA-N	224.220	-0.725	50	10	BBGE	
CC(=NNC(=O)C(=O)NC1CC1)c1cn[nH]c1	794851277	QXCGJWDTMPTXCO-UHFFFAOYSA-N	235.247	-0.472	50	10	BBGE	
C/C=C/CNC(=O)NNC(=O)[C@@H]1COCCO1	858262001	GMSSGAMJFGBOLP-SGJFDWMWSA-N	243.263	-0.692	50	10	BBGE	
O=C(CO)NN=C1C[C@H]2CCCN(C1)C2	905458544	JVFPVUPXNHKURG-MRVPVSSYSA-N	211.265	-0.433	50	10	BBGE	
Cc1ocnc1C(=O)NNc1nccn(C)c1=O	1457690966	XZELRDOEKJYXCG-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
CC(C)c1nnsc1C(=O)NNC(=O)CO	1472538158	REKFNAXVWLLDFO-UHFFFAOYSA-N	244.276	-0.585	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]1F)c1ccnnc1	1520238991	FDHUZHPMWVLBIT-NKWVEPMBSA-N	224.195	-0.404	50	10	BBGE	
CN(NC(=O)Cn1cncn1)c1ccccn1	1633257884	LOEDYOQROSPWKC-UHFFFAOYSA-N	232.247	-0.159	50	10	BBGE	
COCn1ccc(C(=O)NNc2nc[nH]n2)n1	1648831515	IMTRBJGAISZNCI-UHFFFAOYSA-N	237.223	-0.638	50	10	BBGE	
CN(C)NC(=O)C1CCN(S(C)(=O)=O)CC1	1858079949	SEXTWYWHHWBVNW-UHFFFAOYSA-N	249.336	-0.749	50	10	BBGE	
CNNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C	1880054920	VYCLSYRHZXIDPI-ZETCQYMHSA-N	247.295	-0.487	50	10	BBGE	
CN(C)S(=O)(=O)NOCCCl	1880349700	CYUGAYPUZZEJTQ-UHFFFAOYSA-N	202.663	-0.447	50	10	BBGE	
NC(=O)NNC(=O)[C@@H](F)C(F)(F)F	1882212290	NHHXUDAERQXOGM-PVQJCKRUSA-N	203.095	-0.414	50	10	BBGE	
C[C@H](CCCl)C(=O)NC[C@H](O)CO	1882474707	IRCVWNXGALIPTK-RQJHMYQMSA-N	209.673	-0.279	50	10	BBGE	
COCCS(=O)(=O)CCNC(=O)Cl	1884124978	LXPDTQIMJLUVHO-UHFFFAOYSA-N	229.685	-0.004	50	10	BBGE	
OB(O)c1nnc([C@H]2CCCO2)s1	1884149622	IYZINYBOQZCOAE-SCSAIBSYSA-N	200.028	-0.931	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@@H]1CCC(=O)NC1	1886156208	RNWWNYVWDLLTEJ-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
CC[S@](C)(=O)=NCC(=O)NNC(C)=O	1892436164	KWMNUVGTMUNGOG-AWEZNQCLSA-N	221.282	-0.729	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@H]2Cl)CC(O)C1	1893109123	XHVHNKLYPJSCHH-DOBFWROPSA-N	218.684	-0.418	50	10	BBGE	
O=C(NCCSCCO)[C@H]1C[C@@H](B(O)O)C1	1899590675	OVJZZWCZVAWGGQ-OCAPTIKFSA-N	247.125	-0.919	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@@H](C)CC(=O)NN	1899742842	AOAXSLVGKPYOEZ-GUBZILKMSA-N	227.308	-0.234	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cn[nH]c2)C1	1902518326	RIYCOGZGFZRKDJ-VIFPVBQESA-N	223.041	-0.511	50	10	BBGE	
CCC1CC(=O)N([C@H](C)CC(=O)NN)C(=O)C1	1905573737	RWYAFGXMDDMTRU-SSDOTTSWSA-N	241.291	-0.070	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@@H](C)C1(F)F	1909984126	RVVOAZSGZSTNAJ-HTRCEHHLSA-N	249.261	-0.013	50	10	BBGE	
C[C@H]1C[C@H](C)N(C[C@@H](C)C(=O)NN)C1=O	1912243431	YVYMBVZVJQYEOW-RNJXMRFFSA-N	213.281	-0.131	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)N1CC(O)C1	1914175890	JAAOCNFSNRPGCA-RXMQYKEDSA-N	228.701	-0.875	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1(CO)CCC1	1915001815	DWWSZAFFMGBUFV-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
O=C(Cn1ccnn1)N(CCCl)C1COC1	1915655367	IWFKJUFDKXYJGU-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC1(C)C	1915707080	PYSXEECHHSFYDD-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C)CCC(=O)NN	1916200920	WVVSDGLZGDFIDC-SFYZADRCSA-N	230.312	-0.789	50	10	BBGE	
CN(C)NC(=O)c1ccc(C(N)=S)nc1	1922336109	CGAGXNNFPWGJDJ-UHFFFAOYSA-N	224.289	-0.078	50	10	BBGE	
CCN(Cc1nsc(C(=O)NN)n1)OC	1928668475	OCQACLQCJQVGNE-UHFFFAOYSA-N	231.281	-0.475	50	10	BBGE	
CNC(=O)OC1CN(C(=O)CCl)C1	1929065766	XUKZJLDHQSVBJQ-UHFFFAOYSA-N	206.629	-0.208	50	10	BBGE	
C#CCNC(=O)CN(N)C(=O)OC(C)(C)C	1930118326	NKZVYZRONWVSGY-UHFFFAOYSA-N	227.264	-0.153	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2OCCO[C@H]2C1	1930246967	KCZXKPQJZTYTSD-VGMNWLOBSA-N	221.684	-0.314	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@@H](O)CCl)C[C@H]21	1933288993	CAUOHCTVBHDVMV-IVZWLZJFSA-N	234.727	-0.399	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H](C)S1	1936533491	IAYMUWHSTOKLFM-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)[C@@H]1CO	1938245984	CKWBGKHWONVTKS-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CC1(C(=O)NN)CC1	1938249293	SGJQMVNQSFWBCE-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CNC(=O)N(C)Cc1scc(C)c1B(O)O	1939884808	HKALXFIFQJWAPZ-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C[C@H]1C[C@H]1C(=O)NN	1941088464	QRGATOAXNKDDRY-ZDCRXTMVSA-N	241.335	-0.295	50	10	BBGE	
COC[C@]1(C)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941090448	ZVIRBQMFHZRCCG-CKYFFXLPSA-N	241.335	-0.029	50	10	BBGE	
CC1CC(OCCn2cc(C(=O)NN)nn2)C1	1947737537	CMNDAWRHWYVLIY-UHFFFAOYSA-N	239.279	-0.303	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)CC12CCC2	1949817150	KAIQLPHEFSNRKG-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
NCc1cn(CC(=O)CBr)nn1	1953446053	LCHHWZDKLGIJIX-UHFFFAOYSA-N	233.069	-0.299	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H](O)CCl)C1=O	1956256382	NGSYMHTYOUKPSK-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
NNC(=O)NCCN1CCCOC1=O	1956608733	KZPKJFFJRDZMBN-UHFFFAOYSA-N	202.214	-0.998	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1nc(B(O)O)cs1	1957003306	PQLQJZKQTDZDHH-WDSKDSINSA-N	212.083	-0.333	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@@H]2CCC[C@H]21	1960135074	PWRDVTFGVFIFMM-XHNCKOQMSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](CN(C)Cc1cnsn1)C(=O)NN	1960522081	SPSNRTPRTDRSHJ-LURJTMIESA-N	229.309	-0.404	50	10	BBGE	
C[C@H](CN1CCCC[C@@H](O)C1)C(=O)NN	1961136681	QVPIQJXXOKGLRM-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962234209	UZXKAIZJLFFGKW-GKVHRYEBSA-N	233.695	-0.281	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1CNC(=O)C(=O)NN	1974823952	DVSNLASEEMIUFZ-NVNXEXLPSA-N	221.207	-0.616	50	10	BBGE	
C[C@H](NS(C)(=O)=O)c1cc(B(O)O)cs1	1974923350	PSFNCTVRUWXZHA-YFKPBYRVSA-N	249.122	-0.962	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](F)CCN)CC1	1975972472	RMZAQDCCDDMJOB-QMMMGPOBSA-N	229.255	-0.450	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCC#N)CCC#N	1980712804	BLJMZARBMDEQOK-VIFPVBQESA-N	223.280	-0.116	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCCN2CC(=O)NN)C1	1981046745	VPIJEBLBDJNVOC-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)COCCOC[C@H]1CCCOC1	1981418285	KDURFYIHFPQXDI-VIFPVBQESA-N	232.280	-0.564	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)CC1(F)F	1981469801	YPBZGPNWTYHRTB-YFKPBYRVSA-N	248.063	-0.086	50	10	BBGE	
OB(O)c1cnn(CC23CCC(CC2)O3)c1	1989380999	BUMDFAWEKZWILM-UHFFFAOYSA-N	222.053	-0.726	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CC2CNC2)CC1	1990353852	LGBOFFBXJGYRIH-UHFFFAOYSA-N	241.316	-0.309	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C#N)C1	1990774138	FFNGRHZHIOWSAW-VIFPVBQESA-N	224.264	-0.611	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)C[C@H]1CO	1991663238	SJTCHQSPLCYBCS-QMMMGPOBSA-N	246.694	-0.557	50	10	BBGE	
O=C(C[C@]12CCC[C@@H]1C2)NCC#CB(O)O	1992140613	JYGISQJGVNQCMS-MWLCHTKSSA-N	221.065	-0.302	50	10	BBGE	
C=C(CN(CCC)S(=O)(=O)C1CC1)B(O)O	1992158877	DSQLHEKFAAMIFO-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
C[C@@]1(O)CN(C(=O)/C=C/C(=O)Cl)CC[C@H]1O	1993583110	OMDZQHYAUAWQRH-DCMFILABSA-N	247.678	-0.348	50	10	BBGE	
CC#CCC(=O)Nc1ncccc1B(O)O	1995461999	RHIZASJJONRCIQ-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CNC[C@@H]1C	1996966990	DSYYAVQJRUKGJE-BDAKNGLRSA-N	242.323	-0.917	50	10	BBGE	
CN(Cc1ncno1)[C@H](C(=O)NN)C(C)(C)C	1997737759	CYQNUQBSCFSGBL-MRVPVSSYSA-N	241.295	-0.094	50	10	BBGE	
CCN(Cc1nc(C)no1)C[C@@H](C)C(=O)NN	1997741082	WQWFMJQDEYFOTQ-SSDOTTSWSA-N	241.295	-0.174	50	10	BBGE	
COC1CCN(c2ncccc2B(O)O)CC1	2004936224	WPCAZEBOQGLBTD-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC[C@@H]1F	2006794469	NBNKWEHZWMODSL-IUCAKERBSA-N	239.059	-0.517	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	2014221952	IPRDALHJKNZOIK-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CC1(C)CC(COc2ncc(B(O)O)cn2)C1	2017328739	KBPKEYBCSIKOEL-UHFFFAOYSA-N	236.080	-0.029	50	10	BBGE	
CCO[C@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	2020062690	UJPDNBOURHTXJX-ZJUUUORDSA-N	241.096	-0.124	50	10	BBGE	
Cc1ccc(F)cc1C(=O)NCC#CB(O)O	2021164289	FNKKURJTYOGYTL-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3C[C@H]4C[C@@H]4C3)(C1)C2	2023853263	LPOLNONVJJIMSR-CNVPUSNMSA-N	237.303	-0.523	50	10	BBGE	
CN(CCn1cccc1)c1ncccc1B(O)O	2052493918	GFDTWJCDDLMKOS-UHFFFAOYSA-N	245.091	-0.301	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]3CC[C@@H]32)c1B(O)O	2052555900	JLVSIDTVYSYKCI-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
O=C1CN(Cc2cccn3cnnc23)CC(=O)O1	2056952169	XNDCSVQOCJHJPE-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
NNC(=O)CCN1CC[C@@](O)(c2ccccc2)C1	2057335020	GDZYRBQFYVDWPR-ZDUSSCGKSA-N	249.314	-0.040	50	10	BBGE	
CCOc1c(OC)ccc(B(O)O)c1OC	2060052397	BHCQJFHRUHBRIW-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
N#Cc1c(B(O)O)ccc([N+](=O)[O-])c1Cl	2060105635	HBPIDSXWXRJVBR-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
C=CCCC(=O)NCCc1ccc(B(O)O)cc1	2084674158	XANCKZIYJSORRW-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
CC(C)N(C)Cc1nscc1B(O)O	2209703118	PCRFRQOQUBCKPK-UHFFFAOYSA-N	214.099	-0.337	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)[C@H](C)CN1C	2209951620	ABLGJTSEJSKZSN-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1ccncc1B(O)O	2211059726	RGHUBAHSAQHMIU-XCBNKYQSSA-N	225.028	-0.112	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1cc(B(O)O)cs1	2211072706	PLNOLKZOFORJPA-OIBJUYFYSA-N	242.105	-0.021	50	10	BBGE	
Cc1cnc(Sc2cc[nH]n2)cc1B(O)O	2212599811	NYWMXIPXZCLYPV-UHFFFAOYSA-N	235.077	-0.056	50	10	BBGE	
OB(O)c1ccnc(N(C2CC2)C2CC2)c1	2212601983	WVSQYWPTCNEZCJ-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
CC1(Nc2ncc(B(O)O)cn2)CC(F)C1	2212602608	HCWKVZOTXRPSGV-UHFFFAOYSA-N	225.032	-0.541	50	10	BBGE	
C#C[C@](C)(CC)Oc1ncc(B(O)O)cn1	2212605402	CWWOUUWMEQVGKW-SNVBAGLBSA-N	220.037	-0.663	50	10	BBGE	
CNC(C)(C)COc1ccc(B(O)O)cn1	2212606709	YQASXCAXCDYDAC-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C[C@H](CN(C)C)Oc1cc(B(O)O)ccn1	2212608053	GWIDDXMQGQLZTA-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
OCC1(Nc2ncccc2B(O)O)CCC1	2212615443	PAAAZAYMVUILHR-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
CN(CCCC(=O)NN)CCc1cnn(C)c1	2213538314	CIDLVWQNKGEETR-UHFFFAOYSA-N	239.323	-0.336	50	10	BBGE	
Cc1cnc(NCC2(C)COC2)cc1B(O)O	2217179038	FMPYSBXAPMJGEP-UHFFFAOYSA-N	236.080	-0.482	50	10	BBGE	
C=CCC1(Nc2cc(B(O)O)ccn2)CNC1	2217179766	OBUYJHBZIHHMSV-UHFFFAOYSA-N	233.080	-0.909	50	10	BBGE	
CCCC1(Oc2ncccc2B(O)O)CNC1	2217186673	NITAYNCJAWXHHE-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
C#C[C@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2217201396	PJLSKISOTGNMOM-WPRPVWTQSA-N	231.064	-0.630	50	10	BBGE	
OB(O)c1cnc(NC2CC3(C2)CC32CC2)nc1	2223649507	AIOMDADAIZKIQI-UHFFFAOYSA-N	245.091	-0.099	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)C1(B(O)O)CCC1	2241481756	VEVBULXOQOOHMJ-RITPCOANSA-N	201.006	-0.390	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CC(O)(CO)C1	2241592659	PBVINDVHVAHEFQ-BHZOKHGKSA-N	207.657	-0.384	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H](Br)C1	2242405766	GKFWFLQJNVBHPI-JPYJGEKTSA-N	236.069	-0.982	50	10	BBGE	
CCCCNC(=O)c1cc(B(O)O)oc1C	2243350285	YPSQDMQVSXZNHT-UHFFFAOYSA-N	225.053	-0.202	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243364411	WWNKHHBHAHJFCZ-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
O=C(N1C[C@H]2COC[C@@H]21)C1(B(O)O)CCC1	2243365793	SFHSBSFJCYWGPP-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
C=CCCNC(=O)c1ncccc1B(O)O	2243374962	MORLBTVSHQPAPS-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
Cc1cc(C(=O)N2CC(F)C2)oc1B(O)O	2243377598	CRFNBWPSFAYTKD-UHFFFAOYSA-N	227.000	-0.938	50	10	BBGE	
C=CCN(C)C(=O)c1scc(C)c1B(O)O	2243378527	VBRCWPJQVZRHGE-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2243395881	DJXMTPWEVMSIMB-DTWKUNHWSA-N	229.085	-0.267	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ccon1	2243398288	OBLAMEAZZBKEHW-LURJTMIESA-N	224.025	-0.141	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H]2CC[C@H]1C2	2243400750	HKQDHRRAAFAAEK-UTLUCORTSA-N	221.065	-0.303	50	10	BBGE	
CC(C)OCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243405058	YTKAANRUZJATNR-IUCAKERBSA-N	229.085	-0.219	50	10	BBGE	
O=C(NCCF)c1cc(F)ccc1B(O)O	2243408404	MOJDYHIQGATLTL-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414376	ZNZJHHCMKMKYDH-OFPUPOEVSA-N	227.069	-0.875	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCNCCC1	2243426259	GDQKCVPXEQYSBC-IUCAKERBSA-N	226.085	-0.939	50	10	BBGE	
CC(C)[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243758664	JJXLKBKMQTUIOC-LYFYHCNISA-N	229.041	-0.925	50	10	BBGE	
O=C(NCC=C(F)F)c1csnc1B(O)O	2243770244	ASEZJBKBKZXPDP-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)CF)c(B(O)O)c1	2244149863	RUUXHLJTBWFZNE-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(B(O)O)co1	2244213357	DJSVDZVULFMTMO-QMMMGPOBSA-N	221.021	-0.758	50	10	BBGE	
NNC(=O)CCN1CCc2ncsc2CC1	2244606108	ZUEJPSFYSPGNBD-UHFFFAOYSA-N	240.332	-0.076	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cscc1B(O)O	2247738107	MQGUDFTWBBTWBS-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
CC(C)C1(NC(=O)c2ccoc2B(O)O)CC1	2247743630	GWGIDQUZXNYVRC-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)cc(B(O)O)c1	2247751825	CRKHILJWGYDZBD-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1C(=O)C1(B(O)O)CC1	2247753103	BOBYPTJMQPPOSX-DTWKUNHWSA-N	240.112	-0.456	50	10	BBGE	
O=C(N[C@H]1COCC1(F)F)C1(B(O)O)CCC1	2247754113	BSLSJPUNYOOVSB-LURJTMIESA-N	249.022	-0.466	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1C[C@H]2CC[C@H]1O2	2247756486	MMOMGDNBLKCPJR-IWSPIJDZSA-N	239.080	-0.228	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758411	ZEJGMZJJRKBNFN-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CCCC1	2247758607	MVQNEECAJUBLRL-UHFFFAOYSA-N	237.039	-0.259	50	10	BBGE	
CC1(C)[C@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247803419	BABLEBQNRLGXAT-YIZRAAEISA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2247805055	AOSVZGKKIQHMKY-FNCVBFRFSA-N	239.080	-0.731	50	10	BBGE	
N[C@@H](CNC(=O)C1CC(B(O)O)C1)C1CCC1	2247805181	JSLTZDYTDCKYSW-RTBKNWGFSA-N	240.112	-0.517	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1C[C@H]1B(O)O	2247809579	ZUCMQLIEDXYMHU-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247851637	HRIIQPWBUWXTAV-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
C=CCN(CC)C(=O)c1ccc(B(O)O)cn1	2247869491	SMUOXPSMTJCGKC-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247871336	ZTBCUEZYTPHCSN-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C=C[C@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2247877118	CCEIFBKIHLIFON-JTQLQIEISA-N	239.080	-0.467	50	10	BBGE	
CCC[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2247879374	UDKABDPNVMSSLS-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
COC[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247880315	ZDQAWAGUQYAVGV-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CN(C[C@]1(C)CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247893933	AMRXNGUFMPMVCA-YWVKMMECSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(n2ccnc2)C1	2247900136	UGNMVZJYWPMGIB-BDAKNGLRSA-N	235.052	-0.871	50	10	BBGE	
C[C@]1(CC(=O)O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248588142	ZFQNYWYTXLMFST-MHYGZLNHSA-N	241.052	-0.685	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H](F)[C@@H](F)C1	2249411849	UPEJJFNBKSHKJF-YUMQZZPRSA-N	244.990	-0.909	50	10	BBGE	
COCCCN(C)C(=O)c1cocc1B(O)O	2249417486	GWFPOZFSXCHLTE-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C=C[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2249432065	YLEJOBQKBIAWTO-SNVBAGLBSA-N	235.048	-0.346	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@@H]21	2255448222	BUWWHPWZUJGZNT-NQMVMOMDSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC[C@@H]2C[C@@H]21	2255498143	NPCNTRKIOMLSJR-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
Cc1cc(C(=O)Nc2cnoc2)ccc1B(O)O	2255510334	VPLWNMXMVKROQC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C=C1CON(C(=O)c2ccc(C)cc2B(O)O)C1	2255510838	APEPZAKIGZTISY-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)c(C)c2)C1	2255514229	FTKKAKSKGWIUHO-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
CCN(C(=O)c1ncccc1B(O)O)C1CCC1	2255521863	BYOCJAMHALMRQI-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOc2ncccc21	2255579656	UBSZYTPBNUMBFG-JGVFFNPUSA-N	248.047	-0.330	50	10	BBGE	
C[C@H](NC(=O)c1ncc(B(O)O)cn1)C1(C)CC1	2255772897	BZDANJMXMXYBLF-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1C=CCC1	2256679986	PPSIQDOQKJCRQV-JTQLQIEISA-N	245.087	-0.051	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2cocc2B(O)O)C1	2258140442	CJXJEIUFXZYZRW-RKDXNWHRSA-N	247.059	-0.509	50	10	BBGE	
CN(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2298376890	VEGQMFNDVXWHOR-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCn1cnccc1=O	2300384874	SHIMJASRCBATFA-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
C[C@H](CCCC(=O)NN)n1ccc(C(N)=O)n1	2302045567	UVMOFIGOMCLTGP-SSDOTTSWSA-N	239.279	-0.297	50	10	BBGE	
O=C1NCCCC[C@@H]1CN1CC[C@H](B(O)O)C1	2303096292	CTJXAMQDKDOOQO-ZJUUUORDSA-N	240.112	-0.549	50	10	BBGE	
O=C(CC1(C(=O)O)CC1)N1CC[C@@H](B(O)O)C1	2303110864	DUXIPGLDXKSTPT-SSDOTTSWSA-N	241.052	-0.683	50	10	BBGE	
CC[C@](C)(CN1CC[C@@](F)(CO)C1)C(=O)NN	2303420909	CTHBAKHSPDDGNZ-MNOVXSKESA-N	247.314	-0.201	50	10	BBGE	
CC[C@@](C)(CN1C(=O)CCNC1=O)C(=O)NN	2303431826	NJKPHKJAHBIEEJ-JTQLQIEISA-N	242.279	-0.666	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@@H]3CNC[C@@H]32)cc1B(O)O	2312613496	IVEOSEFYIYWYAD-YWVKMMECSA-N	248.091	-0.943	50	10	BBGE	
C[C@@H](CN(C)C)Nc1ccc(B(O)O)cc1C#N	2317151125	NGYOQVWVPNHOTQ-VIFPVBQESA-N	247.107	-0.400	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cccnc2N)C1	2319672999	XRPLQCLJELKCKC-LLVKDONJSA-N	249.079	-0.257	50	10	BBGE	
Cc1ccc(N(C)C(=O)C(=O)NN)cc1	50010707	WXVLOVWKCPVWII-UHFFFAOYSA-N	207.233	-0.052	50	10	BBGE	
C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)NN)C1	58846823	LRAJHRCPMOYBKK-IUCAKERBSA-N	243.307	-0.503	50	10	BBGE	
CN(CCO)C[C@@H](C(=O)NN)c1ccccc1	80954621	QYXGDVDAKZLGLU-LLVKDONJSA-N	237.303	-0.316	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	86190422	OHNPRCSRKMVDQM-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCCC[C@@H]2C1	86930333	UIKRMKBSOYSPBE-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1ncccc1=O	132861428	TWPKDCBDRLFORS-RXMQYKEDSA-N	202.597	-0.065	50	10	BBGE	
CN(C)NC(=O)N1CCSC[C@@H]1C(=O)O	149150406	ANFFXSOCTKYJSZ-ZCFIWIBFSA-N	233.293	-0.325	50	10	BBGE	
OCCN(CCO)C[C@@H](O)CBr	156315915	HGZYFEXKFXDUPZ-ZETCQYMHSA-N	242.113	-0.971	50	10	BBGE	
Cn1cc(OC[C@@H]2CC[C@@H](C(=O)NN)O2)cn1	227957640	MLOXNNGXFJMZKX-CBAPKCEASA-N	240.263	-0.664	50	10	BBGE	
O=C1NC(=O)[C@H](c2cncnc2)[C@@H]1Cl	232095560	GYHPRWHDWKXLIU-RITPCOANSA-N	211.608	-0.176	50	10	BBGE	
CCC(=O)N[C@H]1CSC[C@]1(O)C#N	238214255	ISUGWPJXXGFBFM-POYBYMJQSA-N	200.263	-0.117	50	10	BBGE	
COc1cncc(B(O)O)c1C(F)(F)F	238343817	DFJLDKPWDYQAFT-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
Nc1cnc(Br)c(B(O)O)c1	238572829	AIIVYUWWXAKUNC-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
N#CC(C#N)=Cc1nn[nH]c1NC(N)=O	238600666	HWGTZKBEKYFPAR-UHFFFAOYSA-N	203.165	-0.274	50	10	BBGE	
COC(=O)[C@H](CC(C)C)NNC(N)=O	238799137	PMRKYGAELVQTEL-LURJTMIESA-N	203.242	-0.253	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCN1CCNCC1	244317491	XGJPFAXIALDOTD-MRVPVSSYSA-N	219.716	-0.365	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1CN(C)C	251218849	MFRJTFUITYOVPT-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)Cc1ccc2c(c1)CC(=O)N2	258988654	KVFNQAXDYBNWJJ-UHFFFAOYSA-N	205.217	-0.286	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCCNS1(=O)=O	306191883	GWQOKBCZAQKAIY-YFKPBYRVSA-N	242.684	-0.782	50	10	BBGE	
C[C@@H]1N[C@H](N)NC(=S)[C@@H]1Br	306450221	YWRIIVZMQQOZJN-LWKDLAHASA-N	224.127	-0.099	50	10	BBGE	
Nc1ccc(O)c2c(B(O)O)csc12	306729600	KTQWHRKOXBHHLH-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=[N+]([O-])c1cnc(B(O)O)cc1Br	307327873	JNMKSWQOGDWYCD-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O=C/C=C\[C@H]1[C@H](CC(=O)O)[C@@H](O)C[C@H]1O	308697055	AZNZYQFJBBPJNK-PZXBHJDQSA-N	214.217	-0.426	50	10	BBGE	
CC(=O)NNC(=O)CNC1CCC(O)CC1	309637744	TVHDGCIMUIXXJH-UHFFFAOYSA-N	229.280	-0.953	50	10	BBGE	
OB(O)c1cc2nc[nH]c2cc1OC(F)F	396040238	LPRTYJTUGLOYLD-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
O=Cc1cc2c(CO)ccc(B(O)O)c2s1	396335257	KLEJZEWYZGCOLX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)cc1	404962510	DJMDLMHUGSZIEG-UHFFFAOYSA-N	203.006	-0.672	50	10	BBGE	
CCCNC(=O)Nc1cc(B(O)O)ccn1	405169124	QULYWTQKFKWEKY-UHFFFAOYSA-N	223.041	-0.707	50	10	BBGE	
COc1cc(F)c(B(O)O)cc1[N+](=O)[O-]	575708282	LYOZXGYCLYBFPN-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584939964	PFPRAOICYGRIRN-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](CO)C(C)(C)C	689782672	CKVPVLQHMNPKGW-BDAKNGLRSA-N	247.339	-0.670	50	10	BBGE	
CO[C@@H](CN(C)CC(=O)NN)C1CCC1	692199763	SFUNDRDBJZLLMB-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
Cc1nn(Cc2ccccc2C(=O)NN)c(=O)o1	694824292	LPYPPFSWXDDKNL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
O=C(CCCl)NCC1CS(=O)(=O)C1	701892289	CPGOXFGXIXOQLL-UHFFFAOYSA-N	225.697	-0.224	50	10	BBGE	
CN(C(=O)c1cnn[nH]1)[C@@H]1COC[C@@H]1Cl	709427695	APBALUXIFDWYOK-CAHLUQPWSA-N	230.655	-0.117	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2COCC[C@H]2Cl)n1	710951204	IWMOORIYQMHCKQ-PHDIDXHHSA-N	245.670	-0.664	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C2CCC1(CO)CC2	723024359	WDCFYSRXKUEUTG-XTQFYOIMSA-N	241.335	-0.010	50	10	BBGE	
O=C(NN=Cc1ccc[nH]1)[C@@H]1COCCO1	745212292	IZLONCKGGCCQGN-VIFPVBQESA-N	223.232	-0.120	50	10	BBGE	
C[C@H]1COCCC1=NNC(=O)[C@@H]1COCCO1	794512805	CDTUWUJCTBJCPO-WPRPVWTQSA-N	242.275	-0.070	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	862500473	RUXJUMAYRUMNKO-VXNVDRBHSA-N	236.231	-0.080	50	10	BBGE	
CCOCCOCC(=O)NN(C)C[C@@H](C)O	910167243	FULHKEQOBNCMHG-SECBINFHSA-N	234.296	-0.617	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccccc1O	916108338	DHTZGGPUKWZMFK-UHFFFAOYSA-N	230.245	-0.414	50	10	BBGE	
O=C(Cc1ccon1)N1CC[C@@H](B(O)O)C1	1329292862	MYOBSQWAWVAOFQ-SSDOTTSWSA-N	224.025	-0.708	50	10	BBGE	
CN(NC(=O)c1cccc(O)n1)C(N)=O	1446340796	SPVXPPYEZJSLSO-UHFFFAOYSA-N	210.193	-0.558	50	10	BBGE	
CC(F)(F)C(C)(C)C(=O)NNC(=O)CO	1457721710	OPMVCMJHNOSFKH-UHFFFAOYSA-N	224.207	-0.193	50	10	BBGE	
CO[C@@H](C)CNC(=O)NNC(=O)c1ncon1	1478937024	BPQKIFZMENSFQA-YFKPBYRVSA-N	243.223	-0.952	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNc1cccnn1	1637052299	KQNBNCPOBSBUHE-ZCFIWIBFSA-N	223.236	-0.569	50	10	BBGE	
CO[C@@H]1C[C@H]1NS(=O)(=O)CCCl	1881095720	VVRODTOAORSGEZ-PHDIDXHHSA-N	213.686	-0.068	50	10	BBGE	
N[C@H](CO)CNC(=O)[C@H]1C[C@@H]1Br	1881353874	OPFKTDNGNIOHGV-ZLUOBGJFSA-N	237.097	-0.794	50	10	BBGE	
COCCS(=O)(=O)NCC#CCCl	1881931295	OVWSCABSBOSXOB-UHFFFAOYSA-N	225.697	-0.206	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](O)[C@@H](O)C1	1882906368	GYSVYTRSQPTWRO-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
O=C(O)C1(O)CN(C[C@@H]2C[C@@H]2Cl)C1	1883551160	ILSAGLGEGCUOSB-WDSKDSINSA-N	205.641	-0.255	50	10	BBGE	
C[C@]1(CCl)CN(CC[C@H](O)CO)C1=O	1885778776	XCXDCBRBXUTJBG-CBAPKCEASA-N	221.684	-0.183	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@H]2F)[nH]1	1887433156	MYYJPJMTUOKJKP-DMTCNVIQSA-N	217.635	-0.033	50	10	BBGE	
CC[C@H](S[C@H]1CC[C@@H]1N)C(=O)NN	1887477545	ARNGQMXCJXEOSB-ACZMJKKPSA-N	203.311	-0.022	50	10	BBGE	
C[C@H](CCl)C(=O)NC1([C@H](O)CO)CC1	1888176922	CFXVOZLNNFFJHR-RNFRBKRXSA-N	221.684	-0.137	50	10	BBGE	
C[S@]1(=O)=NCc2c(B(O)O)cccc21	1892655233	LYXTZRVJXFAHSK-CQSZACIVSA-N	211.051	-0.663	50	10	BBGE	
CCC[S@@](=O)N[C@@H]1CCC=C1B(O)O	1892925407	UXULBORLXVAAKO-XLKFXECMSA-N	217.099	-0.250	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCONC1	1893417516	PFDIAULUXNJWAL-LURJTMIESA-N	218.640	-0.282	50	10	BBGE	
C[C@@H](CN1CC[C@H]2C[C@]1(CO)C2)C(=O)NN	1900160668	ARYKUCKUHDPCHK-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NNC(N)=S)O1	1900922210	LJGBAUXEFFZRNI-NTSWFWBYSA-N	217.294	-0.192	50	10	BBGE	
CC(C)CN(C)c1cc(B(O)O)c(F)cn1	1903006666	WNBKBKRTAYABRY-UHFFFAOYSA-N	226.060	-0.007	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1C[C@@H](F)C1	1904939676	VUABILQSBFARSK-BKPPORCPSA-N	227.044	-0.049	50	10	BBGE	
CON1CCN(CCCCCC(=O)NN)CC1	1915711294	UOMZLGBVNKKING-UHFFFAOYSA-N	244.339	-0.284	50	10	BBGE	
CC1(C)C[C@H](CO)N(CC(=O)NN)C1	1931245173	AYPDMIXHZITMSR-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1931413482	RKDVUPKFUKBHGZ-MAUMQABQSA-N	213.281	-0.933	50	10	BBGE	
COC[C@]1(O)CCCN(C(=O)NN)CC1	1931671061	FFINHFGHJCQYGT-VIFPVBQESA-N	217.269	-0.567	50	10	BBGE	
NNC(=O)CN1CC[C@H]2[C@@H](C1)C2(F)F	1931858732	UOBMYPGEFDYEMD-NTSWFWBYSA-N	205.208	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@@H]2CC[C@@H]21	1931919717	QMYUIJFYSPLNFE-GJMOJQLCSA-N	215.322	-0.055	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936092874	YGVYXNQMBMDJCW-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCCOCC1	1936509096	WFLMYXNYJGXRLA-MRVPVSSYSA-N	229.280	-0.701	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1937984439	NNFOPJHMBDKUKO-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC(F)(F)CO	1938128993	YEQFGEJONOIIRH-RQJHMYQMSA-N	239.266	-0.440	50	10	BBGE	
C[C@H](CN(C)CCCC(=O)N(C)C)C(=O)NN	1940302576	IIDXXFVXWXKHRY-SECBINFHSA-N	244.339	-0.587	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2OCC[C@H]2C1	1941086540	JIRWXUGPBGIDJD-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
N#CC1(O)CCN(Cc2noc(CN)n2)CC1	1942974921	UUWIGYXHDSRGOR-UHFFFAOYSA-N	237.263	-0.621	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC=CCO3)C2)CC1	1946039918	YMVPLPLIGSXOIT-UHFFFAOYSA-N	237.303	-0.213	50	10	BBGE	
CC[C@@H]1COCCN([C@@H](COC)C(=O)NN)C1	1948710504	YOFZVNKONIJKEZ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC2)C[C@@H]1CO	1949698059	WTJCPYSXAQXLAX-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
O=C(NCC1CC1)N1CC[C@@H](B(O)O)C1	1951320337	HAVAIIWJJUWWGU-MRVPVSSYSA-N	212.058	-0.345	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1COC[C@@H]1O	1954239042	LQTLBSFLVVPQKC-XVMARJQXSA-N	207.657	-0.120	50	10	BBGE	
O=C(O)[C@]1(C[C@@H](O)CCl)C[C@H](O)CN1	1956249927	BKIKFFQCTMEIER-CHKWXVPMSA-N	223.656	-0.846	50	10	BBGE	
C=CCSc1ncc(B(O)O)c(C)n1	1956966124	PWDNLTVFKIKBFN-UHFFFAOYSA-N	210.067	-0.257	50	10	BBGE	
CNNC(=O)c1cc(OC)nc(OC)c1	1957726599	WHFLWQOJAFDRDM-UHFFFAOYSA-N	211.221	-0.037	50	10	BBGE	
COC1(CN(C)[C@@H](C)CC(=O)NN)CC1	1960729555	NRUVSRIYQUPLNY-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961509017	OFLZPTUZKAPDFM-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
Cc1cn(C)nc1C(=O)N1CC[C@H](B(O)O)C1	1972411322	CJIILYQRTCSCTL-QMMMGPOBSA-N	237.068	-0.583	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cnn(C)n1	1974772642	OHSUCYGRKNBYIQ-LURJTMIESA-N	248.695	-0.666	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ncncc1B(O)O)C2	1981413350	FSVMVOSRKFSBTA-XCBNKYQSSA-N	219.053	-0.997	50	10	BBGE	
C=C(CN1C[C@H](SC)[C@H](N(C)C)C1)B(O)O	1992152561	GQJFVDKZPFOVDD-ZJUUUORDSA-N	244.169	-0.468	50	10	BBGE	
CC(C)(CN1CC[C@H]2COC[C@H]21)C(=O)NN	1992336642	DOWBGYZYMHGIIK-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CCCN(O)C(=O)c1cccc(B(O)O)c1	1992835672	FZWXYDYBDMVVBB-UHFFFAOYSA-N	223.037	-0.392	50	10	BBGE	
CSCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	1993890666	HGIIZZSUDLMOHD-MGCOHNPYSA-N	246.332	-0.095	50	10	BBGE	
NNC(=O)N1CCc2ncnc(O)c2CC1	1994913537	WZVXTGARBPXSDI-UHFFFAOYSA-N	223.236	-0.834	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	2003754793	PTBSPSHZUDKIST-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
CCCN(Cc1cnn(C)c1)C(=O)C(=O)NN	2003798188	XANVHRGZMXLFFZ-UHFFFAOYSA-N	239.279	-0.851	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@H](C1)CN1CCCC[C@H]21	2003976688	NKRGZLHDYSZHDG-GMTAPVOTSA-N	238.335	-0.608	50	10	BBGE	
CCCN([C@@H](CC)C(=O)NN)[C@H]1CCNC1=O	2004315419	ZFKRDJOGYMSXGA-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnccc1N(C1CC1)C1COC1	2004912930	ZOCHEKHSEVKVJC-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
C[C@H]1CCCN(c2ncncc2B(O)O)CC1	2004921444	WCWHFXCMILHOCE-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@@H](CCO)C1	2005060214	HTDDMIBELAOJIQ-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	2011806964	HLVYEGQWXZGBCR-RGOKHQFPSA-N	243.307	-0.900	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCCCCC(=O)NN	2014271297	WGKHFCYZURVLCO-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
CC1(C)C(=O)NCCCN1CCCC(=O)NN	2018184473	HYBVZMFNMKAKTG-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@@H]1CCCO1	2019209956	LTDDFCJAHBIDSL-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
COC[C@@]1(F)CCN(CC(=O)NNC(C)=O)C1	2019210287	NKFGZZUICSTZLG-SNVBAGLBSA-N	247.270	-0.786	50	10	BBGE	
C=C(CN1C[C@H]2C(N3CCCC3)[C@@H]2C1)B(O)O	2021158828	IYDMNJHYQSRGKO-GHMZBOCLSA-N	236.124	-0.419	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1cc(B(O)O)ccc1F	2022200265	QPSPVYKQQXOUGZ-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1cc(C(=O)NN)co1	2023141111	HLEJZBRKVZQFIA-SECBINFHSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H](C)N1C	2052490856	GWMDXASLGNNPLO-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2CC2(C)C)n1	2052621074	BMUQFCWCDWQGSD-VIFPVBQESA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2053735998	ONSQDOXSCHKVOZ-IXLVHKGHSA-N	244.103	-0.086	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)cc1[N+](=O)[O-]	2060018657	YXWMBNBQRAWLNL-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2Cc1cccc(B(O)O)c1	2067400005	NIIWOFCMTYGTDG-STQMWFEESA-N	246.119	-0.745	50	10	BBGE	
C=CC1(O)CN(Cc2ncccc2C(=O)NN)C1	2074505262	VIILYPVUHLNNPD-UHFFFAOYSA-N	248.286	-0.582	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](O)C1)c1cccc(B(O)O)c1	2079010054	MHRLTHIPPHHIKZ-GHMZBOCLSA-N	249.075	-0.990	50	10	BBGE	
Cn1cnc(COCc2ccc(B(O)O)cc2)n1	2080345489	CNBAGTUOKUFRCF-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CSCCOc1ccc(B(O)O)cn1	2210066116	SCLXRYFUYFOEJL-UHFFFAOYSA-N	213.067	-0.497	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(CCCO)C1	2212352836	HWNUTMXMJOLZJH-UWVGGRQHSA-N	227.308	-0.683	50	10	BBGE	
C#C[C@@H](CCC)Nc1ccc(B(O)O)cn1	2212601366	NCAHPERSHDTANY-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@H]32)c1	2212601372	NDUPQQNRYLNVAY-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cccnc1Nc1cncnc1	2212602713	IPXJLHJQAHKPJD-UHFFFAOYSA-N	216.009	-0.705	50	10	BBGE	
CC[C@H](N)COc1cc(B(O)O)c(C)cn1	2212604013	KWNYWPNJKNIDNX-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
Cc1cnc(NC2(CO)CC2)cc1B(O)O	2212606437	UFPRASBYYYXABK-UHFFFAOYSA-N	222.053	-0.993	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CC[C@H]32)nc1	2212610959	RYAWTGZAEBYXMT-MYJAWHEDSA-N	218.065	-0.171	50	10	BBGE	
C#CC(C)(C)COc1ncc(B(O)O)cn1	2212614512	VZBFFSRDZXLWEP-UHFFFAOYSA-N	220.037	-0.805	50	10	BBGE	
C[C@H](O)CN(C[C@H]1CC[C@@H]1C(=O)NN)C1CC1	2215773635	TUYYXQDPPNXWKK-NGZCFLSTSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)N(C)C[C@H]1C	2216200622	VTJCXGKTQLISTQ-DTWKUNHWSA-N	242.323	-0.822	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2217174622	WNRNOOMHFMKLKQ-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
CCO[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2217175796	NJKOHAAUSSDNEP-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CN1	2217177510	JSRYDOILMANNFP-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C=C[C@H]2C3)nc1	2217181719	UEJDQKFOAIXFCG-KOLCDFICSA-N	230.076	-0.084	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2217185281	UWYNQTSWIRXPTO-OHIMXTDESA-N	230.076	-0.172	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2217191541	KMIUMKUNCQWFQN-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC1(C)C[C@H](Nc2ccc(B(O)O)cn2)[C@H]1O	2217200694	VHRDFDJYBPENND-WCBMZHEXSA-N	236.080	-0.667	50	10	BBGE	
Cc1cnc(C)c(Oc2ncc(B(O)O)cn2)c1	2223652646	FSUIDODQELZWKF-UHFFFAOYSA-N	245.047	-0.039	50	10	BBGE	
CC[C@H]1NCC[C@H]1Nc1cc(B(O)O)c(C)cn1	2223653962	WLDXDYAAODTOER-GHMZBOCLSA-N	249.123	-0.378	50	10	BBGE	
N#Cc1cccc(Oc2ncc(B(O)O)cn2)c1	2223661874	MEPDDXAQGYJEKY-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
CC1(C)CCN(c2cc(B(O)O)ccn2)CCN1	2223665694	HSEZQCYBHXHROK-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3NCC[C@H]32)c1	2223674552	LQFABEIKOZKXFR-LSJOCFKGSA-N	247.107	-0.829	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cn(C)nn1	2223675509	XDBAOEHSMMIYBU-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
Cc1cnc([C@@H](C)Nc2ncc(B(O)O)cn2)o1	2223679950	WPOSJACKWOEUDT-SSDOTTSWSA-N	248.051	-0.374	50	10	BBGE	
C[C@@H](OCCOC(F)(F)F)C(=O)NN	2241284703	SHZYKQFXBQSECO-SCSAIBSYSA-N	216.159	-0.082	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cscc1B(O)O	2243349207	HUXRKIDTOFKHIW-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)C(=O)C1(B(O)O)CC1	2243365965	VLFZJUHKGZPCFD-VGDKGRGNSA-N	247.125	-0.781	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)sn1	2243377818	HLYNBERROGDJIL-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CC2)CCCOC1	2243397424	BAKJUAZYQUPWCJ-VIFPVBQESA-N	227.069	-0.321	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CCCCC1	2243397581	FEAJKMHWNOVKJP-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccoc1B(O)O	2243398401	DEKQDQRRCGYTRS-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
C#Cc1ccc(NC(=O)C#CB(O)O)cc1	2243404207	KVYJVUSAIRPGFL-UHFFFAOYSA-N	213.001	-0.378	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)oc1C	2243408981	YPXJAVXNSXDRTR-UHFFFAOYSA-N	227.025	-0.709	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1coc(B(O)O)c1	2243409018	ZRQCONLWRORWLM-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1occc1B(O)O	2243411009	MAPYXAYQAJWSIG-XPUUQOCRSA-N	223.037	-0.560	50	10	BBGE	
CC[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2243411461	UKIHDWJXIJXCGQ-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cnco1	2243420325	QRAYGMXZIQLAAL-ACZMJKKPSA-N	224.025	-0.285	50	10	BBGE	
CN[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243426349	HFGOTCVDOUMZCZ-IWSPIJDZSA-N	226.085	-0.940	50	10	BBGE	
Cc1ccc(NC(=O)C(F)F)cc1B(O)O	2243678359	ILWFSJBOQIZJKT-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
CN(CC1COC1)C(=O)C1CC(B(O)O)C1	2243967657	AJODNVUHIJIMBO-UHFFFAOYSA-N	227.069	-0.656	50	10	BBGE	
NC1(COc2cc(B(O)O)c(Cl)cn2)CC1	2245917877	WGBRQMVLTVXGCS-UHFFFAOYSA-N	242.471	-0.715	50	10	BBGE	
O=C(Nc1ncco1)c1cscc1B(O)O	2245939889	JSCFHJNYHYRZOR-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ccc(B(O)O)cn1	2246740749	GQTLEHRUGYNJBB-SSDOTTSWSA-N	235.052	-0.613	50	10	BBGE	
O=C(NCCCC1CC1)c1ccc(B(O)O)o1	2247740406	KAIVATPWYVFANT-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	2247741728	DYGSLBVQDVURIU-NAKRPEOUSA-N	235.092	-0.057	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247747577	PIDNWSOWWAUFQK-JIGDXULJSA-N	237.064	-0.409	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)C1(B(O)O)CCC1	2247749854	ANHUVBSWILHNQF-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)C1(B(O)O)CC1	2247750216	GGWQQSMQPVLEEO-KZVJFYERSA-N	238.096	-0.765	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2C)n1	2247753287	DZNXXMRPOMKIIM-HZGVNTEJSA-N	234.064	-0.792	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)C2(B(O)O)CCC2)C1	2247753642	IRGIXNXNSHWIKW-SNVBAGLBSA-N	240.112	-0.419	50	10	BBGE	
CON(C(=O)C1(B(O)O)CCC1)[C@H]1CCOC1	2247753817	ACEXWTFOBVZTMI-QMMMGPOBSA-N	243.068	-0.438	50	10	BBGE	
CN1C[C@H](NC(=O)C2(B(O)O)CC2)C(C)(C)C1	2247759055	YJBJJANZPPBUAY-QMMMGPOBSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805012	AEXAIPKBFKDYCF-UTINFBMNSA-N	243.112	-0.237	50	10	BBGE	
C[C@H](N(C)C(=O)C1CC(B(O)O)C1)C(C)(C)O	2247807689	RPOBZDURCRLMFW-UEJVZZJDSA-N	243.112	-0.143	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808501	LFSDGZWCBRNVSJ-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247850681	RMKFCGPYDCMWLX-YUMQZZPRSA-N	236.080	-0.578	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)C2(B(O)O)CC2)CO1	2247853454	MOBRQHXVASCVOY-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CCN(CC)CCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247860349	VSKTVRZRIGMBPR-NXEZZACHSA-N	242.128	-0.351	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCC[C@@H]1O	2247879617	WGNIBDDSAXSUCZ-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247887649	QJQUAUHNOFBPJR-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
CN(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247895166	PIPRICWSSGQHGZ-RKDXNWHRSA-N	242.128	-0.447	50	10	BBGE	
Cc1n[nH]cc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2248391849	ULDYHVZYMULPJR-RKDXNWHRSA-N	237.068	-0.461	50	10	BBGE	
CC[C@@H](C)N(CC(=O)O)C(=O)C1(B(O)O)CC1	2248573233	BBPFJLMRZKPEHJ-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
O=C(NC[C@H]1C[C@H](C(=O)O)C1)[C@H]1C[C@@H]1B(O)O	2248589318	OREQDSXJDGYNKB-XAMCCFCMSA-N	241.052	-0.924	50	10	BBGE	
CCOC(=O)NCc1ccc(C)c(B(O)O)c1	2253233068	HZJPOACIWXYNJP-UHFFFAOYSA-N	237.064	-0.079	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccoc1B(O)O	2255469996	XGEHXMKJZGKDJO-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(B(O)O)c(F)c1	2255513763	XHRJHFCAVCORDS-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671218	OAJSNRFLOJOJOY-OYNCUSHFSA-N	246.075	-0.611	50	10	BBGE	
O=C(NCc1ccccn1)c1occc1B(O)O	2255685530	BOFUMOKAZQNWGJ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1coc(B(O)O)c1	2255733262	IKBUKUFFXGFZPU-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
Cc1ccoc1CNC(=O)c1coc(B(O)O)c1	2255733278	IRBBPLNCQNPEMQ-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
Cc1ccc(C(=O)N2CCCCO2)c(B(O)O)c1	2255736294	KKSQGOVQHJGYBL-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCC[C@@H]1CC2	2260686324	SLMKQGBCSFWXAC-BXKDBHETSA-N	248.091	-0.497	50	10	BBGE	
N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2298368523	KDKNOIGZLVRQID-HOTMZDKISA-N	238.096	-0.813	50	10	BBGE	
CO[C@@H](C1CC1)[C@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368839	ACTDSKPXRAJGLY-QRYDPKPESA-N	241.096	-0.221	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375642	TYSNYCQZUXZYLD-UYXSQOIJSA-N	240.112	-0.661	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)C1	2298376580	DURDDVUTZNRROW-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
CC(C)(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376915	WXNRUKFLIBVMOY-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCc2nccn2CC1	2300203311	IMSVKCIGDHVISQ-SECBINFHSA-N	237.307	-0.490	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)CC1(O)CC1	2301867836	VTXZIWPSQYIWPK-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CC(C)n1cnc(CN2CC[C@H](B(O)O)C2)n1	2303136185	PPKWQISYLVECSI-VIFPVBQESA-N	238.100	-0.092	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]1[C@H]2CO)C(=O)NN	2303424362	QVFRAPAPGHXRNN-QFOLPQNPSA-N	241.335	-0.295	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CNC[C@@H]1F	2303697252	CMMSZQUTELFMIP-KZVJFYERSA-N	244.075	-0.992	50	10	BBGE	
C[C@H]1[C@H](C)N(C(=O)C2(B(O)O)CC2)CC[C@H]1O	2304187878	VHGJBDIZPGMYBS-XHNCKOQMSA-N	241.096	-0.389	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H](OC)C1	2306805462	TVANYFRLELXVRR-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1ccoc1B(O)O	2312847997	DJBGCUOCULWUTG-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
CC(C)N1CC(CNc2ncccc2B(O)O)C1	2319296476	PSVMNXQCWYXZBQ-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
CC(=O)NNC(=O)CSc1ncccc1N	37190524	JBPXLDHOHNYIAN-UHFFFAOYSA-N	240.288	-0.077	50	10	BBGE	
O=C(OCCCl)c1c[nH]c(=O)[nH]c1=O	39311763	HKVCEKWBCRHBFX-UHFFFAOYSA-N	218.596	-0.541	50	10	BBGE	
CC(C)CNC(=O)NC(=O)N[N+](=O)[O-]	59202515	GSGLKMXAEZTNLP-UHFFFAOYSA-N	204.186	-0.157	50	10	BBGE	
NC(=O)[C@@H]1CCCCN1S(=O)(=O)CCl	70650504	BNAKBOKEYQLFLD-LURJTMIESA-N	240.712	-0.148	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)[C@H](C)CO1	82467603	NKZVINZIQKLVAX-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NC[C@H]1CCN(CCCCC(=O)NN)C1	82468102	NLZZMXZKVIPUQO-SECBINFHSA-N	214.313	-0.573	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H](C)O	82468156	NFJVSMBUCNZHDK-HTQZYQBOSA-N	203.286	-0.687	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	82511524	GFSJZKDBJFOESI-RNFRBKRXSA-N	248.710	-0.302	50	10	BBGE	
NNC(=O)C(=O)N1CCC(C(F)(F)F)CC1	83890496	PBTFXAVJWBJOJX-UHFFFAOYSA-N	239.197	-0.223	50	10	BBGE	
N[C@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	201807316	MDMCBELABOQWEC-GUBZILKMSA-N	240.112	-0.493	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)CCCl	230991066	PGSPBLPKKMJPLF-UHFFFAOYSA-N	228.701	-0.719	50	10	BBGE	
COC[C@H](O)CNS(=O)(=O)CCCl	232299892	WQUZUDIAHMXPCK-ZCFIWIBFSA-N	231.701	-0.848	50	10	BBGE	
CCS(=O)(=O)CCNS(=O)(=O)CCl	233829281	LKSDTNAVBHMVIO-UHFFFAOYSA-N	249.741	-0.463	50	10	BBGE	
CN(C)CCOCCNS(=O)(=O)CCl	234259150	BPZDKYZTNCOKLD-UHFFFAOYSA-N	244.744	-0.320	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccc2c(c1)OCO2	252590161	AQATYIVVJVIAGO-UHFFFAOYSA-N	249.226	-0.389	50	10	BBGE	
C[C@@H](CSCC(=O)NC1CC1)C(=O)NN	300809375	GWZBVYSUJFXNRR-LURJTMIESA-N	231.321	-0.376	50	10	BBGE	
NC(=O)C1CN(C(=O)CBr)C1	306538323	JRGLVBGCEDQYEE-UHFFFAOYSA-N	221.054	-0.675	50	10	BBGE	
CN1C[C@@H](Nc2nnc(CCl)o2)C(=O)N1	306686802	KQKUXOLABHLQGW-SCSAIBSYSA-N	231.643	-0.435	50	10	BBGE	
Cn1c(N)nc(Cl)c1/C=N/NC(N)=O	306863567	KAUWGSUDTQENGC-WTDSWWLTSA-N	216.632	-0.342	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1n[nH]c(=O)[nH]1	307315119	LWLBRBURYWGFOQ-VKHMYHEASA-N	204.617	-0.659	50	10	BBGE	
OB(O)c1cccc(N2CCC[C@@H](O)C2)c1	385831217	OVSHTTOSDKSIBI-LLVKDONJSA-N	221.065	-0.673	50	10	BBGE	
C[C@@H](C#N)CN(C)Cc1nc(C(=O)NN)co1	386707327	WUHXXPGYBIPXII-ZETCQYMHSA-N	237.263	-0.130	50	10	BBGE	
CCS(=O)(=O)NCCNC(=O)CCCl	390190782	SMKLMBLRHIDKCO-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
CC(C)(CCn1nc(O)ccc1=O)C(=O)NN	395603002	DGBVJGOTUNBJED-UHFFFAOYSA-N	240.263	-0.645	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)[C@H](C)C(=O)NN)CO1	688487137	KZEOWZAWBANMTI-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(CCCC(=O)NN)C1	688959585	MMDLFVHVHGOOOU-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2COC[C@H]2C1	690710673	GDVHSGQGFKHRNV-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
N#CC1(O)CCN(CC(=O)NC2CC2)CC1	692089728	CVISRLLJWUMQDS-UHFFFAOYSA-N	223.276	-0.385	50	10	BBGE	
N#C[C@H]1CCN(Cc2nc(C(=O)NN)co2)C1	693991032	HTPYPKNHVNTHCD-SSDOTTSWSA-N	235.247	-0.376	50	10	BBGE	
Cn1nnnc1CN1CCOC[C@@H]1CCl	697853195	BPWBDSNLFCEOQD-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)Nc1cccc(B(O)O)c1	705213370	BIADZWSREHVANP-LDYMZIIASA-N	249.075	-0.413	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCC[C@H]1O	708049676	ACNWKOFOBOIONM-AXTSPUMRSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)C(=O)NN)CS1	709728326	FFVRWFPAWLPAIU-RQJHMYQMSA-N	231.321	-0.281	50	10	BBGE	
CCNC(=O)N1CCc2cc(B(O)O)ccc21	712145053	CINOCSLQWNAAED-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
C#CC[C@@H](CO)NC(=O)CBr	717758627	BXDORQMRCMBAOU-LURJTMIESA-N	220.066	-0.118	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)C1(C(N)=O)CC1	731628208	MNGCIQWBMANOFB-UHFFFAOYSA-N	241.291	-0.165	50	10	BBGE	
COC(C)(C)CC=NNC(=O)C(N)=O	765994300	SXLHFXOHXZMUIF-UHFFFAOYSA-N	201.226	-0.611	50	10	BBGE	
Cn1nncc1C=NNC(=O)[C@H]1CCCO1	814240140	IYPBVIYFITUTDK-MRVPVSSYSA-N	223.236	-0.556	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CC12CC2	1154457395	VJICFRMJLHCXTQ-LURJTMIESA-N	212.249	-0.295	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCNC(N)=O	1299984506	IEOVZHGTUPCFDH-SREVYHEPSA-N	226.236	-0.785	50	10	BBGE	
Cc1nc(C(=O)NN(C)C(N)=O)c(=O)[nH]c1C	1466167713	MHQLCLAYOLEIMK-UHFFFAOYSA-N	239.235	-0.958	50	10	BBGE	
Cn1cc(C=CC(=O)N2CC[C@@H](B(O)O)C2)cn1	1877296249	UHRWSSWJLQXNMP-SNVBAGLBSA-N	249.079	-0.491	50	10	BBGE	
NC[C@H](O)C(=O)NC[C@@H]1C[C@@H]1Br	1877375451	LMZCPXIUDQEKLM-ZLUOBGJFSA-N	237.097	-0.794	50	10	BBGE	
CN(CP(C)(C)=O)C(=O)C(=O)NN	1883763772	LSGZZJOVLAWNLI-UHFFFAOYSA-N	207.170	-0.985	50	10	BBGE	
CN(CCN)CC(=O)NC1CC(Cl)C1	1884411752	ICTUIUHZSORFLX-UHFFFAOYSA-N	219.716	-0.237	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)C[C@@H]1CO	1886272633	HBJWPCXZSDALBW-BWZBUEFSSA-N	204.657	-0.455	50	10	BBGE	
NC(=O)NCC1CN(C(=O)OCCl)C1	1887053920	PXPRQQKQICTFCH-UHFFFAOYSA-N	221.644	-0.081	50	10	BBGE	
O=C(CCCCl)N1CC([C@@H](O)CO)C1	1887273649	NKVAFDOETCGAIT-QMMMGPOBSA-N	221.684	-0.183	50	10	BBGE	
COCCN=C(NN)NC[C@H]1C[C@H]1Cl	1893089499	USNYCXLOASXDME-RNFRBKRXSA-N	220.704	-0.331	50	10	BBGE	
N[C@@H](CS(=O)(=O)C[C@H]1C[C@@H]1Cl)C(=O)O	1893120776	YKHXZPVOBYEBHX-SRQIZXRXSA-N	241.696	-0.560	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1O)[C@H]1C[C@H]1Cl	1893468902	CRVFKXNNRGRYMQ-CWKFCGSDSA-N	219.668	-0.263	50	10	BBGE	
C#CCN(CCO)C(=O)/C=C/C(=O)Cl	1893504231	FCUAUPBLUOJODG-ONEGZZNKSA-N	215.636	-0.238	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N[C@@H]1CCC=C1B(O)O	1897137658	JTNPBYLKYLJTRL-FTLITQJKSA-N	245.109	-0.585	50	10	BBGE	
CC[C@@H]1CN([C@@H](CC)C(=O)NN)C[C@H]1CO	1897985072	DNJRXEQGMPOULT-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2CSCCO2)CC1	1902533157	WVYQZTXJYFGFLN-MRVPVSSYSA-N	246.332	-0.095	50	10	BBGE	
CC[C@](C)(Cn1cnc(C#N)n1)C(=O)NN	1902719636	HWGCHWXBGAVBQK-SECBINFHSA-N	222.252	-0.444	50	10	BBGE	
C[C@@H](CCN)Nc1cc(B(O)O)c(F)cn1	1903010746	SPSHOEQEBZLERQ-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H](F)C2)c1F	1905081409	KANYYTXWAQDOOU-IZLXSQMJSA-N	228.007	-0.187	50	10	BBGE	
N#C[C@H]1CCN(C(=O)N2CC[C@@H](B(O)O)C2)C1	1905585136	ZVMCRJPMACLWBV-RKDXNWHRSA-N	237.068	-0.499	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	1907072178	HAAPJLMYBNAPJZ-WKJUBOCMSA-N	230.076	-0.394	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ncccc2=O)C1	1908358959	SJGXXRUKMGJRRE-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncncc2B(O)O)CCO1	1911419859	GXHXBDBQUTZQDK-HTQZYQBOSA-N	238.052	-0.897	50	10	BBGE	
CC[S@@](C)(=O)=NCc1nc(C(=O)NN)co1	1913891019	ZEMRFMDLFSTEAA-MRXNPFEDSA-N	246.292	-0.104	50	10	BBGE	
CCN(CCCCC(=O)NN)C1COC1	1915659591	CLWILGWXNSJHSS-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CCOCC(=O)NNC(=O)C(F)(F)F	1923407744	FPCCYXBUBBNYNM-UHFFFAOYSA-N	214.143	-0.267	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC(C)(C)O	1927914640	WNDKETPHIOHBGT-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
Cn1ncnc1SC[C@H]1C[C@H]1C(=O)NN	1927916360	DOWGUQJZTYMZKQ-PHDIDXHHSA-N	227.293	-0.467	50	10	BBGE	
C[C@@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927917719	XXPRWDKBFOPJMY-QXFUBDJGSA-N	213.281	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1928557723	YCPJHNJTBKWZRF-NQMVMOMDSA-N	213.281	-0.931	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C)CC(=O)NN	1929070001	BXARNOOHLFUMBY-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CN1CCC2(CC1)C[C@@H]2CO	1929669117	WMDLQKGUMNCBSQ-MRVPVSSYSA-N	213.281	-0.929	50	10	BBGE	
O=C(Cc1cccs1)NNCCO	1929833265	GYHYWYMLUMXBAO-UHFFFAOYSA-N	200.263	-0.096	50	10	BBGE	
O=C(CBr)C1CS(=O)(=O)C1	1933080379	ZTIMQRVPLFPLBX-UHFFFAOYSA-N	227.079	-0.005	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1936110352	DXHZRXURPMHEDA-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1F	1937151809	CBDFMPBRHOXACR-FNCVBFRFSA-N	233.287	-0.330	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941074649	TYMIVIIAJODHFH-VWYCJHECSA-N	240.351	-0.504	50	10	BBGE	
C[C@@H](O)C1CCN(CCOCC(=O)NN)CC1	1941775487	PCHGWYGGTAUFNT-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949276701	HISMVFPYFMKWOW-ILWJIGKKSA-N	241.291	-0.859	50	10	BBGE	
C[C@@H](Cl)CC(=O)N(CCO)CCO	1954240964	ZFAGLYQDVKATFQ-SSDOTTSWSA-N	209.673	-0.183	50	10	BBGE	
CN(C)NC(=O)N1CC(C(=N)NO)C1	1956248397	QRRMEWBKVWFOGA-UHFFFAOYSA-N	201.230	-0.940	50	10	BBGE	
Cc1nc(N2CC(F)C2)ccc1B(O)O	1961717694	DYFBJEGXEYOKTP-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
CCN(CC)c1ncc(B(O)O)cc1C	1961718465	PDPGQBJJONZRSY-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
CN(CCC(=O)NN)CC1[C@@H]2COC[C@@H]12	1962322263	MKCXGSMPICTBBZ-IUCAKERBSA-N	213.281	-0.809	50	10	BBGE	
Cc1nc(CN(C)C[C@H](C)C(=O)NN)no1	1976748969	FVCQOKFITRYFQE-LURJTMIESA-N	227.268	-0.564	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2C[C@H]21	1981422615	RCPUCJKVRIDZAO-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
COC(C)(C)COc1ncccc1B(O)O	1981430531	PCFQWBBRRCVZJL-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2[C@@H](C(=O)O)C[C@H]2C1	1982131299	GVXBAXIEBFOJIC-FXQIFTODSA-N	227.264	-0.175	50	10	BBGE	
CCN(CC)[C@@H](C)Cn1cc(B(O)O)cn1	1983813478	YLKQPJTWLRECKN-VIFPVBQESA-N	225.101	-0.707	50	10	BBGE	
CO[C@H](C)CN(C)CCC(F)(F)C(=O)NN	1984129215	AKJBZNBHFYKXAY-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
CC1(O)CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	1985356869	JOHYTJPSGNDELM-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
N#C[C@@H](Cl)CN1CC([C@@H]2NC(=O)NC2=O)C1	1986664693	UOVGJXOXMUCXNU-RQJHMYQMSA-N	242.666	-0.743	50	10	BBGE	
CC[C@H](CN(C)c1nc(B(O)O)cs1)OC	1987958523	QIQLYCYAWXNMTI-SSDOTTSWSA-N	244.125	-0.316	50	10	BBGE	
O=C(NCB(O)O)c1cc(C(F)(F)F)on1	1989781123	FMGYQSAWVZNRGG-UHFFFAOYSA-N	237.930	-0.565	50	10	BBGE	
O=C1[C@@H]2CNCCN2C(=O)N1C[C@@H]1C[C@H]1Cl	1991441675	IBTUHHOCUMSTOO-RNJXMRFFSA-N	243.694	-0.150	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1(CO)CCOCC1	1991653197	WQZXLPBQADIVRC-UHFFFAOYSA-N	247.678	-0.034	50	10	BBGE	
NC1(CNC(=O)C=CC(=O)Cl)CCOCC1	1991653412	ZLYXXGQRRDBYPO-UHFFFAOYSA-N	246.694	-0.068	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2CCC[C@H]21	1992154030	UYRDGDUEVZDRLO-OPRDCNLKSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1	1992392484	LCNQRXZTSJJVPW-KBDSZGMXSA-N	225.292	-0.241	50	10	BBGE	
CCON(C)C(=O)c1ccccc1B(O)O	1992835321	ASAQQJWVRQAACF-UHFFFAOYSA-N	223.037	-0.610	50	10	BBGE	
C[C@@H](CO)SCC12CC(C(=O)NN)(CO1)C2	1993888731	ICWJZHYUNUOIDJ-WFRXLMHJSA-N	246.332	-0.361	50	10	BBGE	
COC[C@H](O[C@H]1CCO[C@@H](C)C1)C(=O)NN	1994677977	REIPZMTWIKNOIH-CIUDSAMLSA-N	232.280	-0.425	50	10	BBGE	
CC[C@H](C)CNC(=O)N[C@H](CB(O)O)C(=O)O	1998131131	RUEIIUKHCVOXNA-NKWVEPMBSA-N	246.072	-0.742	50	10	BBGE	
CC(C)C1(C(=O)N[C@@H](CB(O)O)C(=O)O)CC1	1998131752	YECGSWZDNRQLNG-ZETCQYMHSA-N	243.068	-0.535	50	10	BBGE	
Cc1nnc(CN(C)CC2(C(=O)NN)CC2)o1	2004410125	UGXGATPRFWIRKR-UHFFFAOYSA-N	239.279	-0.420	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]1C1CC1	2004916182	ITWPHPIMSYKPFP-SNVBAGLBSA-N	233.080	-0.465	50	10	BBGE	
CN(Cc1ccsn1)c1ccncc1B(O)O	2004924471	CDRDCOPQHQCTBR-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C(F)F)ncc1B(O)O	2004971565	SLGXDRKBRKLWHA-SSDOTTSWSA-N	243.022	-0.691	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2005117579	WTYNPDNMPGLLJT-URJDPWSZSA-N	241.335	-0.296	50	10	BBGE	
CN(CCC1(C)CC1)c1ncc(B(O)O)cn1	2009611713	ZXHJBMHQQMFWQH-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CN1CCC[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020057322	STGZWNHFGXEESZ-ZJUUUORDSA-N	238.096	-0.702	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]1C1CC1	2022352017	OCEDMAAXQFLKCR-MWLCHTKSSA-N	233.076	-0.426	50	10	BBGE	
OB(O)c1cnccc1N1CCOC[C@H]1C1CC1	2052506847	JZXQOYYRQWEHAJ-LBPRGKRZSA-N	248.091	-0.623	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC2(CC2)CO1	2058161002	PTWQYDNWMNEYOQ-SECBINFHSA-N	249.075	-0.903	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2210213054	HNVARJDPNVGSNW-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H](Cl)C[C@@H](F)C1	2210710682	WYAOSPWVCSDHFU-NKWVEPMBSA-N	247.661	-0.149	50	10	BBGE	
COC[C@H](CF)Nc1cc(B(O)O)ccn1	2212601537	PGFQUWRFKKTBLJ-QMMMGPOBSA-N	228.032	-0.842	50	10	BBGE	
CSC(C)(C)CNc1ncc(B(O)O)cn1	2212603703	QFKNWADFKKNEAD-UHFFFAOYSA-N	241.125	-0.290	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC[C@H]1C(F)(F)F	2212876422	FPIYETLNJMOUQJ-NKWVEPMBSA-N	248.997	-0.294	50	10	BBGE	
CC[C@@H]1C[C@H]1CCn1cccc(B(O)O)c1=O	2215323839	HAXCSBCGDCEMOO-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@H]2C(F)F)[nH]c1	2217171862	GAVOQPQQSBZAHX-XPUUQOCRSA-N	242.034	-0.504	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNc1cc(B(O)O)ccn1	2217178733	AOWMRAPSEOUNBT-BDAKNGLRSA-N	238.096	-0.420	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2217178906	CFGZFGUNLIWOSA-XPUUQOCRSA-N	240.043	-0.653	50	10	BBGE	
CNCC1CC(Oc2ncccc2B(O)O)C1	2217181715	UBXJZPSRADHYJC-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1ccc(B(O)O)cn1	2217182037	YFGJZSLLJCIFHE-NSHDSACASA-N	230.076	-0.391	50	10	BBGE	
C[C@@H]1CNC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217183711	KMDNWWZUMOAQDU-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CC(C)(O)C(C)(C)Nc1ccc(B(O)O)cn1	2217183746	KRSKQWFXBRGKQC-UHFFFAOYSA-N	238.096	-0.277	50	10	BBGE	
Cc1cnc(OC[C@@H](C)[C@@H](C)N)cc1B(O)O	2217183903	OZCCAVONVYMOAA-RKDXNWHRSA-N	238.096	-0.568	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1nccc(B(O)O)c1F	2217185909	CVXCPCBKBBOSEK-POYBYMJQSA-N	242.059	-0.595	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC(F)=C1CCC1	2217410731	KHSJOUFKKFSBGN-UHFFFAOYSA-N	238.027	-0.669	50	10	BBGE	
CC[C@@]1(CNc2ccc(B(O)O)cn2)CCCN1	2223626565	ILHQKKSOTPVBBQ-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1nncn1C	2223632961	QCCFEDQBFVZMPY-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2C[C@@H](N)C2)cc1B(O)O	2223645743	BQOJCRBQNNUVLK-AOOOYVTPSA-N	249.123	-0.969	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)c1ccc(B(O)O)cn1	2223650409	MBTNILYLOGCADU-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN[C@@H]1C1CC1	2223651262	WAAJNSROZPRXKF-WDEREUQCSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC23CCNCC3)c1	2223668541	XXNHUTDGHBYYLU-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CC(C2CC2)C1	2224026876	QWRWJAWFNCAGON-UHFFFAOYSA-N	248.091	-0.641	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccccn1	2243361451	BJSNVEADFFYKAR-MRVPVSSYSA-N	218.021	-0.726	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CCN1C	2243364371	WARQLGUMLGYZRZ-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)C1(B(O)O)CC1	2243364895	DXVLGIRBKKJGOF-MRVPVSSYSA-N	229.085	-0.266	50	10	BBGE	
C#CCN(CC#CC)C(=O)[C@H]1C[C@H]1B(O)O	2243397292	YKGLKSYSZDQILS-VHSXEESVSA-N	219.049	-0.666	50	10	BBGE	
C[C@H]1CCCC[C@H]1CNC(=O)C#CB(O)O	2243401929	ZETTXHJVHUUTQD-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
CN(C[C@@]1(Cl)CC1(C)C)C(=O)C#CB(O)O	2243404851	VMLOXIMIEBMNRI-JTQLQIEISA-N	243.499	-0.132	50	10	BBGE	
CCC1CN(C(=O)c2ncsc2B(O)O)C1	2243409013	ZQUJBFRIFKBGQX-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CC(C)C[C@@H](CN)NC(=O)C1(B(O)O)CC1	2243410406	BBDSJSIWBUDTHA-QMMMGPOBSA-N	228.101	-0.517	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)C1CC(B(O)O)C1	2243414164	UZIRMHDPQNPYLV-SRKTWWLUSA-N	227.069	-0.610	50	10	BBGE	
C#CCC(=O)NCc1cccc(B(O)O)c1	2243663967	KBODDJYZMIUANA-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
CCCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243752031	DRRQAHHSYWPRLH-BQBZGAKWSA-N	229.041	-0.828	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243752529	JUXKTWFYHYROMO-VQVTYTSYSA-N	229.041	-0.781	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2243759277	UQURWNFPLHQHCO-KPGICGJXSA-N	229.041	-0.781	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C(F)F	2244222619	VICGUTNPUNUZCY-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
CNC[C@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245913318	PNYHELOGSNZQDZ-LURJTMIESA-N	244.487	-0.599	50	10	BBGE	
CCC(C)(C)NC(=O)c1ccncc1B(O)O	2247724285	XSWRBTUYPUYJMW-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
CCO[C@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2247742495	PLTSONNLDFFHQF-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C#CB(O)O	2247743416	DCDDJHTVOIJFAT-OUAUKWLOSA-N	235.092	-0.104	50	10	BBGE	
C[C@H]1CCNCCN1C(=O)C1(B(O)O)CCC1	2247750890	PKJVTNOFIZCJFZ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1occc1B(O)O	2247751593	ZHFPQSUYXUUJOL-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C=C(C)CCNC(=O)c1cncc(B(O)O)c1	2247761901	YDFMDDBWYRHJEV-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cncc(B(O)O)c2)[C@@H]1C	2247770899	RSWRWFFHXMJTIW-HTQZYQBOSA-N	234.064	-0.758	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786373	ZNUJOGGTWDENMM-LPEHRKFASA-N	243.112	-0.380	50	10	BBGE	
CC(C)[C@@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787215	MEIGZNAABUQIHL-NGZCFLSTSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@H]1CCCOCC1)[C@H]1C[C@H](B(O)O)C1	2247797506	KHYTWXOGPHUKTR-GUBZILKMSA-N	241.096	-0.075	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)C1CC(B(O)O)C1	2247800219	MULJOHWGSKBGNY-UHFFFAOYSA-N	238.027	-0.166	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CO1	2247804907	IRXMHOXVYIZHBU-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)nn1	2247807781	JCWNNWIACGWZCL-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
CN1CCC[C@]1(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2247809841	RPFIDRXSYOBBRE-IQJOONFLSA-N	240.112	-0.550	50	10	BBGE	
CCC(C)(C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247846275	CVDNBSVQKSNJAF-UHFFFAOYSA-N	238.096	-0.045	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1cc(B(O)O)c[nH]1	2247847782	BNUQJYITFBIYOS-JGVFFNPUSA-N	236.080	-0.530	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247850265	MDOVXDXZRCJJPP-JGVFFNPUSA-N	236.080	-0.435	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850626	QRCVYFCWPPKFNM-MWLCHTKSSA-N	236.080	-0.387	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1coc(B(O)O)c1	2247855514	UACUAOQDUVBVGA-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@@H](CF)NC(=O)c1ccc(F)c(B(O)O)c1	2247867807	NBAHLGZHTUCOCG-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ncccc1B(O)O	2247869853	ZKUBSPSZORYEEH-MRVPVSSYSA-N	232.048	-0.933	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@H](N)C1	2247875464	YYBXSSJLLBVRTM-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877015	ANTUHCJCULZIHP-BDAKNGLRSA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1N	2247895355	RJIWXNFQAOCEEV-AATLWQCWSA-N	240.112	-0.565	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247898134	APFXBDCCUYLVQX-ARENWVFISA-N	241.096	-0.483	50	10	BBGE	
CCC(CC)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898237	BNLOPZKNTSAWSM-KYZUINATSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247899356	MSMSFQFIFMDHLN-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247899632	OYOSERVIAWFKOG-KATARQTJSA-N	240.112	-0.694	50	10	BBGE	
CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247910397	OLGVXSCSBRNYTF-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2248587420	PDOSHUMCBPLYQR-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1occc1B(O)O	2255491822	BYKNVXHSGHTDBI-WISPPRPZSA-N	247.059	-0.656	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)NCCC#N	2255501708	SLGYEDMTILHKRG-UHFFFAOYSA-N	249.079	-0.608	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ncccc2B(O)O)C[C@H]1C	2255516361	KXLZIJUMQZWTDQ-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
Cc1ncccc1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2255561994	PBFHSRBQXZZINI-QWRGUYRKSA-N	248.091	-0.088	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(C)c(B(O)O)o1	2255573907	TVAMBVVBCAPWBP-SECBINFHSA-N	249.075	-0.200	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1cn[nH]c1	2255672100	AVNAUJVPZFXXNB-SNVBAGLBSA-N	247.063	-0.521	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ccncc1B(O)O	2255694128	MFEGVCJHHYZRJX-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cc1nc(NC(=O)c2ccoc2B(O)O)[nH]c1C	2255709873	CHRNHODUCAXFMG-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2occc2B(O)O)C1	2255741268	CKHYNJNDPQNGHY-RKDXNWHRSA-N	247.059	-0.509	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)Nc1cn[nH]c1	2257485809	BLIGEXCULLEXKJ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377504	TYSNYCQZUXZYLD-FNCVBFRFSA-N	240.112	-0.661	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298463104	PTPGDCOOGPEVCC-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC[C@@H]1C[C@@H]1C(=O)NN	2299030917	RHEVMJBFKZQEDC-GUBZILKMSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300370796	NHKOXMPWOVYUJL-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOC1CCC1	2300895960	CUHZCANRDTWOKF-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
N#CC1(F)CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2301430038	GCZAKSFFERCSAP-IUCAKERBSA-N	240.282	-0.060	50	10	BBGE	
NC1CC(Oc2ccc(C=O)c(B(O)O)c2)C1	2301452834	MVDYAFJOBANBMZ-UHFFFAOYSA-N	235.048	-0.953	50	10	BBGE	
COC1(CO)CN([C@@H](C)CCCC(=O)NN)C1	2302053201	QCEUBGHFIVBLJV-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cn1cncc1CCCN1CC[C@@H](B(O)O)C1	2303098588	ZBDDGPMGSUNRKN-SNVBAGLBSA-N	237.112	-0.099	50	10	BBGE	
COCc1nc(CN2CC[C@@H](B(O)O)C2)no1	2303153436	DAZMCHZCJHVUQX-SSDOTTSWSA-N	241.056	-0.735	50	10	BBGE	
Cc1nn(-c2ccncc2B(O)O)c(C)c1F	2303273188	GEPFTTAYVFHQNN-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CC[C@](C)(CN1CCN(C)CC1=O)C(=O)NN	2303437513	JQIZDAUNEAWLBH-LLVKDONJSA-N	242.323	-0.833	50	10	BBGE	
C=CC[C@H](Oc1ncccc1B(O)O)[C@@H]1CCN1	2314244949	IGTZCJUVOGUOKU-QWRGUYRKSA-N	248.091	-0.553	50	10	BBGE	
O=Cc1ccc(O[C@H]2CCCNC2)cc1B(O)O	2317351672	MMDQSKJYWWBRCD-NSHDSACASA-N	249.075	-0.690	50	10	BBGE	
O=c1cnn([C@H]2OCC[C@H]2Cl)c(=O)[nH]1	39283924	QAIMIFUBPLNYTI-XINAWCOVSA-N	217.612	-0.542	50	10	BBGE	
CN(Cc1ccc(F)cc1)C(=O)C(=O)NN	42437161	KOLYRYVRIKAFMM-UHFFFAOYSA-N	225.223	-0.226	50	10	BBGE	
C=CCNC(=O)COc1ccccc1C(=O)NN	66056670	KSQZWLBIDYHYPO-UHFFFAOYSA-N	249.270	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOCC1(C)C	82470274	DZAOVPRAPXMQAJ-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](Sc1nnc(C)n1C)C(=O)NN	82472782	SUWFAUCWSKOAPB-LURJTMIESA-N	229.309	-0.016	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1CCOCC1	82545683	AFSYQNMTSNCKLR-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnn(C)c1	93072174	YISSKUJQVOPJQL-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOCC2)nc1	94763627	KEKLRTMJSHIHPM-UHFFFAOYSA-N	236.275	-0.483	50	10	BBGE	
CN1CCN(/C(N)=C(\C#N)C=C(C#N)C#N)CC1	100270036	SVAMDCNIJMTNCI-QXMHVHEDSA-N	242.286	-0.099	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1C[C@@H]2CC[C@@H]1C2	106518808	MQXXPLNZHTZYSF-BGZDPUMWSA-N	225.292	-0.083	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	125706671	AUEFVROQGYAQRH-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1N(C)C	125707814	JDILUVSTBUELMU-AEJSXWLSSA-N	228.340	-0.506	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C[C@H](Cl)C#N	132550109	BIVDHGQSPWCRRD-NTSWFWBYSA-N	215.640	-0.536	50	10	BBGE	
COC(=O)[C@H]1CC(=O)NN(C(=O)[C@H](C)Cl)C1	170278078	OKWIISDLPSGYMF-WDSKDSINSA-N	248.666	-0.334	50	10	BBGE	
CC(=O)N1CC(=O)N(C)[C@H](Br)C1=O	196309286	LLGKOMZKYVBUNN-LURJTMIESA-N	249.064	-0.446	50	10	BBGE	
COCCN/C=C(/C#N)C(=O)N1CCNCC1	216963835	WLNPHWWTUAIIIJ-KTKRTIGZSA-N	238.291	-0.938	50	10	BBGE	
COc1ccc2c(c1)cc(B(O)O)n2C	224905862	BANPATLADFCHHJ-UHFFFAOYSA-N	205.022	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CO)C1	226494562	RVSLUXSZRIDQFC-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
COC[C@@H](S[C@@H](C)CCN)C(=O)NN	232421709	KMIORMQTOHYMNG-NKWVEPMBSA-N	221.326	-0.538	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCC(=O)NC	233291610	NYBUZVOAIVKZKK-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
Cc1cnn(Cc2cc(C(=O)NN)no2)c(=O)c1	235964184	DBZUQCAESWCWFH-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CC(=O)CCNc1ccc(B(O)O)cc1	238099572	HJPYAGKVCLOQDF-UHFFFAOYSA-N	207.038	-0.243	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)C[C@H]1C	300354887	KHYJLZFULGKJBQ-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
O=CNNC(=O)[C@@H]1CSCCS1	306494916	YTUUQUKABDMHAE-YFKPBYRVSA-N	206.292	-0.388	50	10	BBGE	
N#Cc1cccn(CCC(=O)NN)c1=O	379824262	VTIDROGRPKMAID-UHFFFAOYSA-N	206.205	-0.900	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)c1nccs1	381329022	SFRKZLVFZMRSDJ-LURJTMIESA-N	242.304	-0.039	50	10	BBGE	
C[C@H](CN1CCC[C@]12CCOC2)C(=O)NN	381408334	SBPBDEFNYCWKSJ-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
O=C(O)c1cc(O)c(B(O)O)c2ccsc12	396391557	ZHACYBGFBAZJAC-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(=O)NN=c1c(N)c(C)[nH]c(C)c1N	396907748	GURLHBMKEJGGMC-UHFFFAOYSA-N	209.253	-0.252	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](C(=O)NC)C1	398472513	GXOFQGBJNAHSOD-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
CN1CCO[C@H](CSCCC(=O)NN)C1	400802397	ZOJGRRVPTMMLNT-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccccn1	404928668	BGINGUBCHOSSAT-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1cn[nH]c1	405040528	ZMMGDTDOTHQMRL-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1cn[nH]c1	690138466	OPGBXYJCMROFLF-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
COC[C@H](OC)C(=O)N1CCC(O)(C#N)CC1	691189198	ORNWRVXWDCXILV-VIFPVBQESA-N	242.275	-0.475	50	10	BBGE	
CC1(C)[C@@H]2[C@@H](CCCN2CCC(=O)NN)[C@H]1O	693088895	JHCPELUYWUPNQD-DVVUODLYSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CCCN(CC(=O)NN)[C@H]1CCO	697197839	CLPWKRFKSCSSCI-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CN1CCN(Cc2nnnn2C)[C@H](CCl)C1	697748884	HFOQGGNKDSHKNO-MRVPVSSYSA-N	244.730	-0.435	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)C1CC1	700865684	LNIWXWYNLIQMKN-YFKPBYRVSA-N	203.267	-0.724	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707280397	ZBWWAYPEIXEMRU-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCN(C(N)=O)C1	707588828	HVPIZSZIOGRWBQ-ZCFIWIBFSA-N	200.242	-0.891	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1ccnn1	710735397	GQYWSDVBQJVHCS-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CCN1CC[C@@H]1CN1CC(=O)OC(=O)C1	712315236	PACCXTKSHCSPIJ-MRVPVSSYSA-N	212.249	-0.534	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1CCCN2C	720443547	GDMBVRFTQDNJDS-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)[C@@H](C)CC(=O)NN	724143876	ZAAYJEJYDORVKE-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)C(=O)NCC1=CCS[C]1Cl	725551322	MFSKZQFYWOPQCT-UHFFFAOYSA-N	234.688	-0.506	50	10	BBGE	
CC[C@@H](C(=O)NNC(=O)N(C)C)C(=O)OC	790533486	BHHCSXMBJYGIIB-LURJTMIESA-N	231.252	-0.512	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1	823147370	BXEXHTUOSZXWGZ-HTQZYQBOSA-N	236.231	-0.728	50	10	BBGE	
CC[C@@H](C(=O)NNc1nnc(C)n1C)[C@H](C)O	857330468	JRNYWRSUPNIJDE-POYBYMJQSA-N	241.295	-0.026	50	10	BBGE	
Cc1cncn1CC(=O)NNc1nnc(C)n1C	1330107578	FPYROBKVAHINOC-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
Cn1cc(NC(=O)c2cccc(B(O)O)c2)cn1	1587797769	DNNSFJSNGDZEIK-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCC=CO1)c1ncccn1	1626776658	WDKVRFCGAIYZDE-MRVPVSSYSA-N	248.242	-0.070	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)c1ncon1	1627099457	DRQATVHDRUBILO-YFKPBYRVSA-N	228.208	-0.744	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cc[n+]([O-])cc1	1631361269	BMASUZNALONCKX-UHFFFAOYSA-N	238.247	-0.374	50	10	BBGE	
CN=C(NN)N[C@H]1C[C@@H](Br)C1	1880296489	FWIGEHBOSPZBEB-SYDPRGILSA-N	221.102	-0.049	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COC[C@H]1F	1881204492	JWWSSOCCDNOQTM-RFZPGFLSSA-N	217.649	-0.161	50	10	BBGE	
NC(=O)C1(O)CN(C[C@@H]2C[C@H]2Cl)C1	1883550941	HMYZBGIURXMWGU-NTSWFWBYSA-N	204.657	-0.854	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883639929	PTHIZCVTXADXGG-UCROKIRRSA-N	207.657	-0.528	50	10	BBGE	
C=C(CN1CCSC[C@@H]1C)B(O)O	1883732149	AFLWTFUUXFVWRS-QMMMGPOBSA-N	201.100	-0.008	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H]2Cl)CNC1	1893470491	UCQQEGSFZAIVQE-NKWVEPMBSA-N	218.684	-0.282	50	10	BBGE	
C=C(CN1CC[S@@](=O)C[C@H]1C)B(O)O	1895097335	OPEJZWBDPQHSPP-XLKFXECMSA-N	217.099	-0.993	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1F	1898821238	DNCKDYNKBITZLE-ULAWRXDQSA-N	231.032	-0.955	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	1900068317	LTWZHQATOAJCCT-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
CC(=O)N(C)CCN(C)C(=O)NC(=O)CCl	1901223318	NRKBGAIUKYULGZ-UHFFFAOYSA-N	249.698	-0.129	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CNC[C@H]1C	1901344919	YEBOFMDYJRWCJE-HTQZYQBOSA-N	249.336	-0.845	50	10	BBGE	
CN(NC(=O)c1ccoc1CN)S(C)(=O)=O	1901377640	QYHPJWBKUCEVKN-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
CC[C@](C)(CN(C)C1(CO)CC1)C(=O)NN	1902715931	MFTQCQUCROMNGJ-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(CO)CCC[C@@H]12	1906325133	PRQUMFLSIRKSTQ-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
COc1ccc(C[C@@](C)(N)B(O)O)cc1OC	1912278257	VAKFAFIOFNSNPP-LLVKDONJSA-N	239.080	-0.024	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@]12CCOC2	1915570773	FYINSHFJNUSCIT-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@](F)(CCl)C1	1917117066	PZTTUNBZPJDAHM-QMMMGPOBSA-N	247.661	-0.148	50	10	BBGE	
CC(=O)N1CC(NC(=O)CCCl)C1	1926313594	IBVPJSXXZTXIKZ-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
C[C@@]1(OCCCC(=O)NN)CCOC1	1928534508	OVVWYNVRMBHANZ-SECBINFHSA-N	202.254	-0.048	50	10	BBGE	
OC[C@]12CN(CCCl)C[C@]1(CO)C2	1928556366	HNAJLQNVTFYOAE-IUCAKERBSA-N	205.685	-0.098	50	10	BBGE	
CC1(C)CCN(CC(=O)NN)C[C@H]1CO	1929515304	WAEOARCVWPGCIZ-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H]1CCS[C@@H]1CN(C)C(=O)C(=O)NN	1930933377	WNKKTICPOAIEPW-RNFRBKRXSA-N	231.321	-0.424	50	10	BBGE	
N[C@@]1(B(O)O)CCCOC12CCOCC2	1934143151	OZDQNKPYFNWQLA-VIFPVBQESA-N	215.058	-0.945	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)n1	1936086317	YEOZCALIRCWVAW-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
O=C1CN([C@@H]2COC[C@H]2C2CC2)CC(=O)O1	1936119703	DYBGMXNMNSPUAX-DTWKUNHWSA-N	225.244	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCc1ncccn1	1937462472	ISJAPUFEZNCFJP-MRVPVSSYSA-N	223.280	-0.671	50	10	BBGE	
CC[C@@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1937985240	RONVYLIGTIEMIZ-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CC1(CO)CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941089337	JSFJRWNIFQIUAY-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
C=C1CON(Cc2cccc(C(=O)NN)n2)C1	1944605706	ARDHREJNSULNCP-UHFFFAOYSA-N	234.259	-0.012	50	10	BBGE	
C[C@H](CN1CCCN(C)C(=O)CC1)C(=O)NN	1947187175	NWFIBRBFOBWHPJ-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCCC[C@H]1C2	1948620371	LWGNTHNEDLAGCR-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@H]1CN	1954211913	KLZSNWURPYCBMA-SFYZADRCSA-N	203.673	-0.223	50	10	BBGE	
COC(=O)[C@@H](C1CC1)S(=O)(=O)N=C=O	1955062970	NRVYKIZCODUVSR-ZCFIWIBFSA-N	219.218	-0.396	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(CCF)C1	1958352590	KZWAYMBPNYRVGJ-RKDXNWHRSA-N	215.272	-0.096	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1NC(=O)C(=O)NN	1959143627	KMOXPTZOGNRKIB-AWFVSMACSA-N	225.170	-0.567	50	10	BBGE	
C[C@H](COC[C@@H]1C[C@@H]1C(=O)NN)N(C)C	1974643775	AGBWJVGWOGDFIP-VGMNWLOBSA-N	215.297	-0.421	50	10	BBGE	
CN(C)C[C@H]1CCN1CCCCC(=O)NN	1976931914	GFTASOZMVBNHSR-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
OB(O)c1cncc(OC2C[C@H]3C[C@@H]3C2)c1	1978372739	TXFGIFQQFZUWCQ-HTQZYQBOSA-N	219.049	-0.061	50	10	BBGE	
C[S@@](=O)CC1CN(CC2(C(=O)NN)CC2)C1	1979477684	PXUBFIHIEQYWCR-MRXNPFEDSA-N	245.348	-0.933	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)c1c[nH]c(=O)cn1	1979657488	FQURIIWZFSTZTJ-IYSWYEEDSA-N	243.650	-0.494	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)CC12CC2	1980718856	OGHNNCIFOPKHHQ-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)cc2C)cn1	1981466313	WTNQLECQHVCTSN-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	1982145565	NDTSQZQKRHXJRO-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CCOCCOCCOC(F)(F)C(=O)NN	1985223129	MIKLWWVTBLRQBI-UHFFFAOYSA-N	242.222	-0.361	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccsc1C(=O)NN	1985743543	PFIDAOABENIUNG-HTRCEHHLSA-N	241.316	-0.083	50	10	BBGE	
COCC(=O)N1CCN(C[C@@H](Cl)C#N)CC1	1985771802	NBCNTHVNHDATAR-VIFPVBQESA-N	245.710	-0.092	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCC(F)(F)C(=O)NN)C1	1986222102	YYLYGWWPYNGKLP-LJGSYFOKSA-N	237.250	-0.279	50	10	BBGE	
CCS(=O)(=O)N1CC[C@H](OC)[C@H](N=C=O)C1	1986272244	KVKIFJMIGZTZEA-BDAKNGLRSA-N	248.304	-0.239	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H](C)OC	1990774327	HLNOCMRWTWSXSI-QMMMGPOBSA-N	231.296	-0.490	50	10	BBGE	
COC1(C(=O)NCC=CB(O)O)CCCC1	1991328671	USLGFWXEBLOWQB-UHFFFAOYSA-N	227.069	-0.370	50	10	BBGE	
NC(=O)[C@H]1CNCCN1C(=O)C1CC(Cl)C1	1991697243	VRGIJJBNQOCDQC-KAVNDROISA-N	245.710	-0.711	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2[C@H]3CO)CC1	1994021098	WCGCVKMQRMCKBG-VGMNWLOBSA-N	225.292	-0.931	50	10	BBGE	
C[C@H]([C@@H]1C[C@@H]2CCO[C@@H]12)N(C)CC(=O)NN	1994141568	IOYDRTUMOVQIBA-UYAYMFIHSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1ncc(B(O)O)cn1	1996644998	DKABPDUJNIEYGV-ZCFIWIBFSA-N	238.056	-0.924	50	10	BBGE	
Cc1noc(CN(C)[C@H](C)CCC(=O)NN)n1	1997734231	ZMFOGIILBAUGMU-SSDOTTSWSA-N	241.295	-0.032	50	10	BBGE	
NNC(=O)c1occc1CN1CC=C[C@H](O)C1	2000933581	HLMBFWTWQNRLBJ-VIFPVBQESA-N	237.259	-0.384	50	10	BBGE	
C[C@H](CN(C)c1ncncc1B(O)O)C1CC1	2004916997	SOMNHQXOIDCUFO-MRVPVSSYSA-N	235.096	-0.361	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncc(B(O)O)cn3)C[C@@H]21	2004920377	JMWFNPPZKWZLOY-IUCAKERBSA-N	233.080	-0.751	50	10	BBGE	
CC1(C)C[C@H](Oc2ncc(B(O)O)cn2)CO1	2004930912	YEWCRLSPTNCATE-QMMMGPOBSA-N	238.052	-0.897	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Oc1ccncc1B(O)O	2004950348	DWQBMYCSGSAZKT-KWQFWETISA-N	237.064	-0.435	50	10	BBGE	
Cc1cc(N2CC3(CCO3)C2)ncc1B(O)O	2005014866	RRRNWPKZGUOCCH-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@H]1C(C)(C)C	2017160982	ODANKXYUNPZWQJ-JGVFFNPUSA-N	243.307	-0.362	50	10	BBGE	
COC[C@@](C)(CN(C)[C@@H](C)CC(=O)NN)OC	2021121170	KHPOEDZEXAPOQE-GXSJLCMTSA-N	247.339	-0.262	50	10	BBGE	
O=C(CC1(F)CCC1)N[C@@H](CB(O)O)C(=O)O	2025192102	YTVKOMTULNYXPA-LURJTMIESA-N	247.031	-0.689	50	10	BBGE	
COC[C@@H](C)COc1ccc(B(O)O)c(C)n1	2026075251	UGBQHLAWCDAMBA-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@@]32C)ncc1B(O)O	2052556969	PZKYHELDVRORAT-SKDRFNHKSA-N	247.107	-0.156	50	10	BBGE	
COc1c(Cl)cc(B(O)O)cc1C#N	2060110435	REXZFXNDHISKOX-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
OCc1ccc(F)c(B(O)O)c1Cl	2069345968	IIDIZMQBFOQKEY-UHFFFAOYSA-N	204.393	-0.349	50	10	BBGE	
Cc1nnc(NC(=O)c2cccc(B(O)O)c2)o1	2079012328	RZEXVXPCQNNVSP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H](CO)Sc1cc(B(O)O)ccn1	2210064547	IHVZUCWUVMXWCU-LURJTMIESA-N	213.067	-0.766	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)OC[C@@H]1C	2210631254	KHWJVRHQQWPYRU-CIUDSAMLSA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2CSC[C@H](C1)C2	2211692022	UAKIGRVNVABKQW-BQBZGAKWSA-N	243.332	-0.376	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@]1(F)CCOC1	2212151617	FXZRHTDRMYQKHA-SCZZXKLOSA-N	233.287	-0.185	50	10	BBGE	
CC[C@H](CNC)Oc1ccc(B(O)O)cn1	2212601218	KPXHBZGNEOCTLT-SECBINFHSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1ccnc(N2CC=CCC2)c1F	2212606129	PAQFUVWLKKWRAO-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCO2)c1	2212608747	LJNTXQJFQLYWLK-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
C#CCC(C)(C)Nc1ncc(B(O)O)cn1	2212612246	IVMWFWIOQJHKLT-UHFFFAOYSA-N	219.053	-0.630	50	10	BBGE	
C=CC=CCCN=c1ncc(B(O)O)c[nH]1	2212614759	HAPNEDMTQREDFF-UHFFFAOYSA-N	219.053	-0.878	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@H]1CC[C@H]1C(=O)NN	2215777374	SHRATZAJGFXNOV-IWSPIJDZSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNc1ncccc1B(O)O	2217171565	CCYCYJPZSMQYKV-RKDXNWHRSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](CCCO)CNc1ncccc1B(O)O	2217173705	SZGWYCLCCVCEFJ-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
OCCCCCCN=c1ccc(B(O)O)c[nH]1	2217197309	LEJZWSSRORLSNH-UHFFFAOYSA-N	238.096	-0.852	50	10	BBGE	
C#C[C@@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217203189	QQRSYEBOLKCZRA-ZJUUUORDSA-N	230.076	-0.025	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@@H](C)O1	2217204306	HYTNVMYPTMGEBG-MRTMQBJTSA-N	236.080	-0.261	50	10	BBGE	
CCC1CC(Cn2cc(B(O)O)cnc2=O)C1	2217408017	AAXDKGICNOIBND-UHFFFAOYSA-N	236.080	-0.641	50	10	BBGE	
CC1(C)CNCC[C@H]1Nc1cc(B(O)O)ccn1	2223631886	CCKQRIVMPXGJLB-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
CC12COC(CNc3ncccc3B(O)O)(C1)C2	2223641464	BEYGOLVMIDUFNZ-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2CNCC[C@@H]21	2223650176	IZHZNGGCQZQQLN-WCABBAIRSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@H]3CN[C@@H](C3)C2)c1	2223658847	CJIMYEDUDIBDDT-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
N[C@@H]1CN(c2ncccc2B(O)O)CC12CCC2	2223668855	CBLCQMWVKCXAHI-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1CNc1ncccc1B(O)O	2223672121	DFTAESWYLJHESV-SCZZXKLOSA-N	249.123	-0.453	50	10	BBGE	
CSCC[C@H](C)NC(=O)C#CB(O)O	2241468207	JAIWZOVHNCVUJC-ZETCQYMHSA-N	215.083	-0.740	50	10	BBGE	
O=C(NCCC#CB(O)O)NCc1ccccc1	2241898867	IPMNYUOKRUJRRX-UHFFFAOYSA-N	246.075	-0.109	50	10	BBGE	
O=C(NCC=CCl)[C@H]1C[C@@H]1B(O)O	2242564341	YQWIXAXZDOTCMZ-WDSKDSINSA-N	203.434	-0.282	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2243350296	YZIYKPRPGWLTCR-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccsc1B(O)O	2243359178	PZIYUEFXTJTOEV-HTRCEHHLSA-N	239.105	-0.044	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243362812	WXZBOYSFSDYTKG-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC(C)C)n1	2243363100	BBBYKVDSVSDMMO-UHFFFAOYSA-N	222.053	-0.792	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)C1(B(O)O)CC1	2243364175	SGJJSYRSIKMADA-SFYZADRCSA-N	227.069	-0.608	50	10	BBGE	
CCCONC(=O)c1c(C)nsc1B(O)O	2243378770	YXDIKDDRDCQLMC-UHFFFAOYSA-N	244.081	-0.797	50	10	BBGE	
CNCC[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383339	XANCVJCALRGJJV-XHNCKOQMSA-N	228.101	-0.646	50	10	BBGE	
CC[C@H](C)CNC(=O)c1occc1B(O)O	2243397629	GBNWAZCBVZGQTL-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)ccn1	2243400494	BWTRIHMUPBJGKR-UHFFFAOYSA-N	219.993	-0.956	50	10	BBGE	
C[C@](O)(CNC(=O)C1(B(O)O)CC1)C1CC1	2243410099	VKUPFIWSDLUUCT-VIFPVBQESA-N	227.069	-0.729	50	10	BBGE	
CCC[C@@H](CCO)NC(=O)C1(B(O)O)CC1	2243410308	ZGOQFGVWRXTCGV-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)N(C)C	2243411773	ZYMRXLZTEFSWEH-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CO	2243414459	BEQKFRZQHRSVDQ-OCAPTIKFSA-N	229.085	-0.531	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C1CCCC1)B(O)O	2243415296	RJYZHCMFBIUDLT-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CC[C@@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415532	XFTILXTVVYHPGB-HRDYMLBCSA-N	229.085	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H](F)C[C@@H](F)C1	2243420681	XHBPRGXRMHFFGK-YWIQKCBGSA-N	233.023	-0.242	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1CSC2	2243426750	LIQLTUHOLHQSQX-MAUMQABQSA-N	241.121	-0.044	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)cn1C1CC1	2243460680	PONBNFXMSYFZIY-UHFFFAOYSA-N	223.037	-0.321	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2243758648	IZOZYYZKVWDTOG-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2244215113	AKSGKNVZUPEMIA-IMTBSYHQSA-N	223.037	-0.512	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244333406	VNHGJJWYTVTTBW-UTINFBMNSA-N	227.308	-0.687	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@H]2C[C@H]2C)n1	2247236420	XFWIIABGAQYHMZ-HTQZYQBOSA-N	237.064	-0.195	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247740511	LUZPBMRRNNBLOD-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
COCCC1CC(NC(=O)C2(B(O)O)CC2)C1	2247750291	HBMRWPTVACGVEF-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2247754340	FTLCJHUPMPZYSZ-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)C2(B(O)O)CCC2)C1	2247758674	WJUUHZGZIUCVEE-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1C[C@@H]1C	2247760361	HCLRJGXCDKNJNV-CPCISQLKSA-N	233.076	-0.187	50	10	BBGE	
C=CCN1CCN(C(=O)C2(B(O)O)CC2)CC1	2247762988	LEEKKBSEEZGSBV-UHFFFAOYSA-N	238.096	-0.676	50	10	BBGE	
CC[C@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797172	GUZLLUVOCWFWLP-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H](C)N(CCO)C(=O)C1CC(B(O)O)C1	2247798538	VHEBCIPVKMLUOC-XNWIYYODSA-N	243.112	-0.141	50	10	BBGE	
COC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1=O	2247853542	NMJZSWDPXBYANP-SSDOTTSWSA-N	241.052	-0.985	50	10	BBGE	
O=C(NC[C@@]12COC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247894771	KTOMTUYFWKOSSY-CDLYGTGVSA-N	239.080	-0.608	50	10	BBGE	
Cc1n[nH]c(C)c1CNC(=O)[C@H]1C[C@H]1B(O)O	2247898035	ZTJZSAHRIUJWAN-IONNQARKSA-N	237.068	-0.494	50	10	BBGE	
NCCC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247899164	LAOLOVBSNKBDPH-UWVGGRQHSA-N	240.112	-0.563	50	10	BBGE	
CC1(C)NCCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247900518	XOMZMZNVYTYPHZ-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1N[C@H]2CC[C@H]1C21CC1	2247900649	YRDFKUWHMBXOQK-HXFLIBJXSA-N	236.080	-0.493	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)C1CC(B(O)O)C1	2247901751	ABUGCZQUEKZGPO-UDNWOFFPSA-N	243.112	-0.141	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2C[C@@]2(O)C1	2247904864	RAQMYCJKGQCQFZ-JIIGURBLSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247911785	YLMDQHFFGNDWHT-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CC(C)OC(=O)Nc1ncc(B(O)O)cc1F	2248210799	NCDKCWJEBTZLKS-UHFFFAOYSA-N	242.015	-0.143	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)C1CC(B(O)O)C1	2248574348	QJLMNGUIWPNWBT-UHFFFAOYSA-N	243.068	-0.439	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248575961	DRUMIJPJQRQSHE-OSMVPFSASA-N	243.068	-0.535	50	10	BBGE	
O=C(O)CC1CN(C(=O)C2CC(B(O)O)C2)C1	2248577924	QBDYXTSPOHLQAE-UHFFFAOYSA-N	241.052	-0.828	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248584761	AZWVMDSDKNGVJG-MATHAZKKSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1ccncc1B(O)O	2248687534	DNWLHHCBECBUAR-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(B(O)O)co1	2249408975	SCUKSEVBSKYAPI-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1CC1(C)C	2249419120	COGSJRWWGSYCMT-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCN1	2249944932	QCZYLTYRJVAAMG-SEZDTBSWSA-N	240.112	-0.504	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ncco1	2252744727	GANOEAKMHUYNCP-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccncc1B(O)O	2255459276	DQBZXZJTRLASFM-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ccc(B(O)O)cn1	2255519905	CYSTVRPGXSSDAS-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
N=c1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)cc[nH]1	2255557968	DIPWPBKSNUBIDQ-KYZUINATSA-N	249.079	-0.637	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255675073	VDMHYHGQWKYMEO-UFBFGSQYSA-N	248.091	-0.386	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ncncc1B(O)O	2255735822	BLDFICAUANVVFD-KWQFWETISA-N	249.079	-0.925	50	10	BBGE	
Cc1ccc(C(=O)N2C(=O)C[C@H]2C)cc1B(O)O	2255736585	QFWWEXRWJKJEKK-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@@H]2C)c1	2255739162	FVBRIZIWAGILSK-WRWORJQWSA-N	249.075	-0.487	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1cocc1B(O)O	2258138307	INQSLKYCIRGVMB-BRPSZJMVSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@H](C[C@H]2O)C1	2298371695	SEQOBLOWWVPDPS-JDDHQFAOSA-N	239.080	-0.921	50	10	BBGE	
CN(CCOCC1CCC1)C(=O)C#CB(O)O	2300891478	QESWGQRMNWBGOS-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1[C@](C)(O)C2)C(=O)NN	2301479034	MYJMMMZJZBVOPK-HOTUBEGUSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCCNC2)ncc1F	2303850922	XTHXGKCQOOWJSK-SSDOTTSWSA-N	240.043	-0.969	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2309543812	GCGKRHQZQGSAIU-GMNPVEAJSA-N	244.103	-0.086	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)co1	2313081358	JKUDCFLGRYZNLP-HGNGGELXSA-N	249.075	-0.122	50	10	BBGE	
CC(C)[C@@H](O)CNc1ccc(B(O)O)cc1C#N	2317164825	DTHNJUJOVBRSJR-LBPRGKRZSA-N	248.091	-0.333	50	10	BBGE	
CNC(C)(C)CNc1ccc(B(O)O)cc1C#N	2317165143	HYIPZXDRMAPMDV-UHFFFAOYSA-N	247.107	-0.352	50	10	BBGE	
NNC(=O)Nc1ccc(-n2ncnn2)cc1	34452981	IAMNOVDMIFSGHD-UHFFFAOYSA-N	219.208	-0.343	50	10	BBGE	
CCC(CO)(CO)NC(=O)CBr	58856169	RPEQKKBXHNMTPY-UHFFFAOYSA-N	240.097	-0.369	50	10	BBGE	
CN(CC(=O)NN)c1ccc(C#N)cc1	82469149	VRCGXDHMEKUAJB-UHFFFAOYSA-N	204.233	-0.016	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](N)C1	82470176	QTVOFWCKOBVMFU-SFYZADRCSA-N	200.286	-0.822	50	10	BBGE	
CC[C@@H](Sc1nnc(C)n1C)C(=O)NN	82472783	SUWFAUCWSKOAPB-ZCFIWIBFSA-N	229.309	-0.016	50	10	BBGE	
CN(CC(=O)NNC(=O)C1CC1)CC1CC1	112977278	GPKNEJIDJSCELW-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	212012392	HMQFLGCIFZHCBY-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@H](C)O1	216469188	OTKFOSVHNAHDRJ-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
CCN(CC(=O)NN)[C@@H](C)CN(C)C	232268004	SYGVCPOAOCQJTN-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
COc1ccc(OCC(=O)NN)cc1[N+](=O)[O-]	232313080	STGIXYHARHCLHV-UHFFFAOYSA-N	241.203	-0.028	50	10	BBGE	
Cn1nnc(C[C@@H](CCCCl)NN)n1	236154811	HDHRYPLQEXVZPH-ZCFIWIBFSA-N	218.692	-0.397	50	10	BBGE	
CC(=O)CC(=O)c1cccc(B(O)O)c1	238084509	XNQMJBFFHZTATK-UHFFFAOYSA-N	206.006	-0.472	50	10	BBGE	
CCOC(=O)c1cc(C)ncc1B(O)O	238255017	TYBOFXGGDBSDCF-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
NCC(=O)NN(CCCl)CCCl	238604775	NNCJZUXFDLAHDM-UHFFFAOYSA-N	214.096	-0.244	50	10	BBGE	
CNC[C@@H]1CCCN([C@H](C)[C@@H](C)C(=O)NN)C1	252595095	HBRXGHSJZNWFPG-MXWKQRLJSA-N	242.367	-0.068	50	10	BBGE	
C/C=C(/CC)C(=O)NNC(=O)[C@@H]1COCCO1	277315151	WWZZEEMFWXGCFI-CHDHTGKKSA-N	242.275	-0.095	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)CCS1	299999920	YGLOEXYBLIXYOR-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)C[C@H]1C	300354598	HXDKAUKCFCHJDN-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1c(O)ccc2cc(O)sc12	306653712	VJXBDFMCMSFNFT-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NNC(=O)Cc1nc(-c2ccncc2)no1	309246013	NPMVSNSVRDIACO-UHFFFAOYSA-N	219.204	-0.336	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](N(C)C)[C@H]1C	310180293	SZLQHLODCVGTAV-KXUCPTDWSA-N	244.339	-0.984	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)CNC1CC1	381592370	KASLFHCPQXGWCJ-XPUUQOCRSA-N	211.265	-0.458	50	10	BBGE	
COC(=O)c1cc(B(O)O)c(C(C)C)cn1	381658208	UGYRADCNAUDBOK-UHFFFAOYSA-N	223.037	-0.329	50	10	BBGE	
NC(=O)C1CN(C(=O)CCCCl)C1	381988639	HQMTUYPOWBHQGI-UHFFFAOYSA-N	204.657	-0.051	50	10	BBGE	
CC(=NNC(N)=O)[C@](C)(O)C(C)(C)O	383914724	AZZJRDWFZSBCLG-QMMMGPOBSA-N	203.242	-0.448	50	10	BBGE	
CCC1(O)CN([C@@H](C)CC(=O)NN)C1	384146186	OEOWDEQWQFCHJB-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@H]2COC[C@@H]21	384776497	GPYSZFULGPYQMD-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
COC(=O)[C@@H]1N[C@@H]2C[C@H](Cl)CC[C@@H]2NC1=O	385858202	VXCXDHPZFMYVAE-ULAWRXDQSA-N	246.694	-0.224	50	10	BBGE	
CCN(CC)C1CCN(CC(=O)NN)CC1	395254545	OYLCNWHBTAMTGC-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC(C)OCC(=O)Nc1ncc(B(O)O)s1	405001682	NFYJLFGAHQAVDK-UHFFFAOYSA-N	244.081	-0.814	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)NC	405152031	SKFBQDORHPLBAO-UHFFFAOYSA-N	222.053	-0.320	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)OCCl)C[C@@H]12	692864727	VDNWDTIEEKYVMB-SYDPRGILSA-N	232.623	-0.476	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)C[C@H]1CO	698211598	CMPQLZIUWCHNTR-GJMOJQLCSA-N	221.684	-0.185	50	10	BBGE	
Cn1nccc1CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703435690	CVKYPWBUYRBLSO-UWVGGRQHSA-N	249.270	-0.121	50	10	BBGE	
CN(C(=O)NC(=O)CCl)C1CC(C(N)=O)C1	703524477	ILYNMRPTLMPQCU-UHFFFAOYSA-N	247.682	-0.343	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](CO)C1	708123269	DXDCIZSLWIVNDK-OPRDCNLKSA-N	229.324	-0.439	50	10	BBGE	
CC1(C)CO[C@@H](Cn2ccc(B(O)O)n2)C1	708541313	AVXSAHOLCNAUJW-MRVPVSSYSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@@H]1COC[C@H]1O	709111745	WGSWLYSCVVFXDP-RRKCRQDMSA-N	207.657	-0.168	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710479960	WAPYUOGIWDQPHQ-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
N#Cc1ncn(Cc2cnc(C(=O)NN)s2)n1	711349010	WGHTYDYJYYMTSD-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
COC[C@@H](OCCOC1CC1)C(=O)NN	711947685	PPRGPPWUCISQQT-MRVPVSSYSA-N	218.253	-0.813	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)NN	717080199	FSDKDVLGXFKECY-KVPKETBZSA-N	211.265	-0.615	50	10	BBGE	
CN1C[C@@H](CCNC(=O)NN)CC1=O	723353088	QLMZWSRKHAMDDV-LURJTMIESA-N	200.242	-0.972	50	10	BBGE	
C[C@H](CN(C)Cc1ccn(C)n1)C(=O)NN	723524827	VSUNPRLSGPUCKE-MRVPVSSYSA-N	225.296	-0.522	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2OCC[C@H]2C1	724821658	IYUOTLKOWMLLST-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1CCCN(C)C1=O	823889361	TYNJEIQATLRKTR-SECBINFHSA-N	243.307	-0.800	50	10	BBGE	
CN(C)C1(C(=O)NNC(=O)[C@H]2CCCO2)CC1	854637547	GSRSEHWBBHPFRX-MRVPVSSYSA-N	241.291	-0.593	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1cn[nH]c1	862469283	FKBCFLPEKRRVCL-UHFFFAOYSA-N	212.184	-0.327	50	10	BBGE	
Cc1cccc(NNC(=O)[C@@H]2CN(C)C(=O)N2)n1	862518072	LILLYMBCRDKEDI-QMMMGPOBSA-N	249.274	-0.143	50	10	BBGE	
CC1(C)COCC1=NNC(=O)CS(C)(=O)=O	863183879	OZCBXPWVPWTLIH-UHFFFAOYSA-N	248.304	-0.440	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CCCC12CC2	863903965	ZAZKBJAWUXOWOM-SSDOTTSWSA-N	212.249	-0.294	50	10	BBGE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NC	906396208	ZWUCMBLTIPCHIS-NKWVEPMBSA-N	243.263	-0.464	50	10	BBGE	
CCn1cc(CC(=O)NNC(=O)N(C)C)nn1	1136448682	MEBJTJYZFDPFTH-UHFFFAOYSA-N	240.267	-0.857	50	10	BBGE	
CN(NC(=O)c1cn(C)nc1Cl)C(N)=O	1151320808	QZGOITSCSFWBID-UHFFFAOYSA-N	231.643	-0.271	50	10	BBGE	
CCNC(=O)NNC(=O)c1coc(OC)n1	1261792619	FGKQNUIBOJUZTC-UHFFFAOYSA-N	228.208	-0.353	50	10	BBGE	
Cc1nocc1C=NNC(=O)CS(C)(=O)=O	1329110391	KKVPSLFIOJIKHJ-UHFFFAOYSA-N	245.260	-0.522	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@@H]2F)n1C	1347831595	KPIQZIADLBSQLK-RITPCOANSA-N	213.216	-0.075	50	10	BBGE	
NC(=O)CCC(=O)NNc1ccncn1	1556681835	ZKZASTGSUHTICN-UHFFFAOYSA-N	209.209	-0.815	50	10	BBGE	
COC(=O)CC(=O)NN=c1cc[nH]cc1	1611414892	XUZQXDOFLSHNIV-UHFFFAOYSA-N	209.205	-0.490	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NNc1ccncn1	1624517894	KNEDMJDASUUULO-UHFFFAOYSA-N	234.219	-0.029	50	10	BBGE	
O=C(N[C@@H]1CNOC1)[C@@H]1C[C@@H]1Br	1881353112	AJHGACSZVJDYTH-PBXRRBTRSA-N	235.081	-0.211	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2Br)CC(=O)N1	1883527718	IXXSGABFJOVMTC-WDSKDSINSA-N	247.092	-0.272	50	10	BBGE	
C[C@]1(CNS(=O)(=O)CCl)CC(=O)N1	1884199587	JMXPUHDRPRXDMN-ZCFIWIBFSA-N	226.685	-0.619	50	10	BBGE	
COC[C@]1(C)CCN1[C@@H](C)C(=O)NN	1884802755	CIKATORFZONVFS-CBAPKCEASA-N	201.270	-0.524	50	10	BBGE	
CN1CCC[C@@]1(C)COCC(=O)NN	1887352612	BEUSNJDPFJXABL-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1OC2(C(=O)NNCCO)CC1C2	1889731693	ZZTSMJHLPLIXDH-SXJRXYEXSA-N	200.238	-0.833	50	10	BBGE	
NC(=O)[C@@H]1CNCCN1C[C@H]1C[C@@H]1Cl	1893100349	UYRQTNPEVSHECI-CSMHCCOUSA-N	217.700	-0.627	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2[C@H](C)C(=O)NN	1894047032	BJKHWRGJMJPIJT-FNCVBFRFSA-N	213.281	-0.526	50	10	BBGE	
Cc1cn([C@@H](C)CC(=O)NN)c(=O)nc1O	1894130706	LHSAZFWYANVZCD-LURJTMIESA-N	226.236	-0.802	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([C@@H](C)O)C1	1901767855	YVRGBBBTYOWJLL-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)C(=O)C(=O)NN)[C@@H]2C1	1909327340	GSDSYOMUNQTCCT-BGZDPUMWSA-N	241.291	-0.752	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@@H]1C1CC1	1913605406	GCGZWTFUNAGZDI-RKDXNWHRSA-N	246.075	-0.254	50	10	BBGE	
CC[C@H]1CCN(CC(=O)NN)CCO1	1913633650	XQGQJHLPSMQJHK-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)COCCN=S1(=O)CCCC1	1913856712	WZIZFYOVXNFIAO-UHFFFAOYSA-N	235.309	-0.745	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CC#N)C1	1915062128	AUQBPSMSHHAPHS-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917088633	WFVHHDKVQMCXAD-SCZZXKLOSA-N	233.287	-0.593	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(F)(F)F)nn1	1923385137	PGPMTSDDFCODBV-UHFFFAOYSA-N	237.141	-0.862	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@H]1CCOC1	1927814765	OZVGCSGCHSYZDG-LURJTMIESA-N	224.207	-0.335	50	10	BBGE	
C[C@@]12CSC[C@@H]1CN(C(=O)C(=O)NN)C2	1927953487	OSBQYKNNYNVWIP-IMTBSYHQSA-N	229.305	-0.812	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC(O)C2)C1	1928569742	LZKDHNPQYPWHNN-MRVPVSSYSA-N	213.281	-0.788	50	10	BBGE	
OC[C@@H](O)[C@H]1COCCN1CCCCl	1928574426	WBKAVADXJACTDT-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
COC[C@@H](O[C@H]1CCCOC1)C(=O)NN	1932289523	FYBHERDBMBLLCX-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
Cc1nnc(SC[C@@H]2C[C@@H]2C(=O)NN)n1C	1936093617	GCWPASMRSKBHMC-BQBZGAKWSA-N	241.320	-0.158	50	10	BBGE	
C[C@H]1C[C@@]1(C)CN(C)CCOCC(=O)NN	1936536650	WWVXTWUPWZWAPB-ONGXEEELSA-N	229.324	-0.029	50	10	BBGE	
COC[C@H](Cl)CN(C)C(=O)Cn1cnnn1	1937159025	CTIGSKBHOLJBTL-SSDOTTSWSA-N	247.686	-0.615	50	10	BBGE	
CCCN(CCN(C)C)C[C@H]1C[C@@H]1C(=O)NN	1941089526	KLYJLFOZDCWKSQ-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CC1(C)CCN(CCOCC(=O)NN)C(=O)C1	1941772448	JJCAEPOUUJTJKB-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CSC3)C2)cc1	1942553032	TVOJWBKLEJYFGO-UHFFFAOYSA-N	249.144	-0.085	50	10	BBGE	
CCCN(CCn1cc(C(=O)NN)nn1)OC	1942618933	ZNPCSYPNPURWRB-UHFFFAOYSA-N	242.283	-0.845	50	10	BBGE	
CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NN)CCO1	1944899319	NHAORFXUYMQXKN-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)[C@H]1CCOC1	1946751673	GPUZTOMCRZVGQZ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@H](CN)C1	1954214262	CNWDHTVPYSBWHN-JGVFFNPUSA-N	203.673	-0.223	50	10	BBGE	
O=C1CCN(C[C@@H](O)CCl)CCN1	1954824267	VZOWCTUOLTZZLF-ZETCQYMHSA-N	206.673	-0.592	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(S(N)(=O)=O)C1	1955570905	BUEUCYYNFRQDET-LURJTMIESA-N	240.712	-0.497	50	10	BBGE	
CO[C@@H](CCCl)CN=c1nn[nH]n1C	1956651536	FDAKXVHEAPAQQW-LURJTMIESA-N	219.676	-0.312	50	10	BBGE	
C=CCOc1ncc(Cl)cc1B(O)O	1956955908	YUGOTCUJXHSBPF-UHFFFAOYSA-N	213.429	-0.020	50	10	BBGE	
C[C@@H](CCn1cc(B(O)O)cn1)C(F)F	1957936438	RRXKZODKMSRMQP-LURJTMIESA-N	218.012	-0.146	50	10	BBGE	
CC(C)OC(=O)N[C@H](CB(O)O)C(=O)O	1958870836	SLHIFTNPUVYCCM-RXMQYKEDSA-N	219.002	-0.953	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC12COC2	1961512483	GLWZRHVKJSSOIV-SFYZADRCSA-N	211.265	-0.913	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[S@]1=O	1961553729	PLELBZJSYSJJCG-ANRSDYALSA-N	233.337	-0.791	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC2(CNC(=O)N2)C1	1974907422	FBFRKJKTOXCBJV-ZCFIWIBFSA-N	231.683	-0.102	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccon1	1976755980	PCCKKDJEUUGOES-QMMMGPOBSA-N	228.252	-0.889	50	10	BBGE	
C[C@@H](C(=O)NN)N(C[C@H]1CCOC1)C1CC1	1980760561	UZCFDDYWLCFCFU-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1ccc(F)cc1OCC1COC1	1980866417	FZDQRWPWPUVOJI-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
CN([C@@H](C(=O)NN)C(C)(C)C)C1(CO)CC1	1986546754	RKLALIDGAGUKIM-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCC2=O)O1	1990164684	RENDSEITLPWKAN-HTQZYQBOSA-N	227.264	-0.854	50	10	BBGE	
C=C[C@@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1990538279	BYTDCTOEFZSFPZ-LLVKDONJSA-N	227.308	-0.375	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)C=CC(=O)Cl)C1=O	1991654350	JXDMTWDOANMUBJ-SSDOTTSWSA-N	244.678	-0.003	50	10	BBGE	
C[C@@]1(CN2CC(=O)OC(=O)C2)CSCCO1	1993445619	QYKDQHVGIPAAHP-SNVBAGLBSA-N	245.300	-0.106	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@]1(C)CCO	1994707648	RLXVTOVSPLSUBO-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1[C@H]2CC[C@H]12	1997529564	MOGJWFXRMDNTNU-UWVGGRQHSA-N	231.060	-0.039	50	10	BBGE	
CCC[C@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	1998131233	SSNOEKROPZXQOI-NKWVEPMBSA-N	246.072	-0.600	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC2(CCCC2)CO1	2001528250	LIAMWGQCQDGYSV-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@@H]1CCO	2004907459	RWQYOSMEGOEBIX-GMTAPVOTSA-N	243.351	-0.047	50	10	BBGE	
CN(Cc1ccco1)c1ccncc1B(O)O	2004934584	HGUWRNDRYBJCHS-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C[C@@H]1C[C@@H]1C(=O)NN	2006199995	ZBGPVWKTLNHWFE-AJBSGBCOSA-N	239.319	-0.563	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)[C@H]1C[C@H]1F	2006987596	IDEGUDHFMUNYTQ-NKWVEPMBSA-N	241.002	-0.198	50	10	BBGE	
C[C@H]1CCCN(C2CN([C@H](C)C(=O)NN)C2)C1	2014767382	XAGTUGAGDCGFEZ-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
COC[C@H]1C[C@@H]1Cn1nc(C)c(B(O)O)c1C	2015874751	BPWOFRMUUPHIAC-NXEZZACHSA-N	238.096	-0.538	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	2017827499	WOVWUYKUAHFMHA-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
O=C(NCC#CB(O)O)Nc1ccc(F)cc1	2021125058	BLKUPMHFKKNQLM-UHFFFAOYSA-N	236.011	-0.037	50	10	BBGE	
C=C(CN(C)C[C@@]12COC[C@H]1C2(F)F)B(O)O	2021158568	FLAFBMTVIOQEQQ-RKDXNWHRSA-N	247.050	-0.232	50	10	BBGE	
CCOCCNC(=O)c1ccccc1B(O)O	2022196575	OJBKOSFEPOIZPO-UHFFFAOYSA-N	237.064	-0.867	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1Cc2cncnc2C1	2025620764	CPOPKWGUJGSAHT-HTQZYQBOSA-N	235.291	-0.193	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCO[C@@H]2C[C@@H]21	2051854141	PUHGMDYBUGTKJI-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C2CC2)C2CC2)n1	2052617730	HYJRUBWVGWSXPR-UHFFFAOYSA-N	247.107	-0.096	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3[C@@H](C2)C3(C)C)n1	2052621921	NIBPPEDPYYJWKY-DTORHVGOSA-N	247.107	-0.443	50	10	BBGE	
CCc1ccc(C=O)c([N+](=O)[O-])c1B(O)O	2060034746	SZAOEKJGMNJHLK-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCc1c(B(O)O)ccc(OC)c1OC	2060054378	VYWKJXFTKPGIBY-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
N#Cc1c(F)ccc([N+](=O)[O-])c1B(O)O	2060169606	OYBDORHKKMJPPZ-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CCc1c(C=O)ccc(B(O)O)c1C#N	2060237939	XLEMVGNYIGGUPT-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1c(C#N)ccc(B(O)O)c1[N+](=O)[O-]	2060307010	VRXKPOSBGYKSRR-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
Cn1cc(COCc2ccccc2B(O)O)cn1	2080318965	LZALZFAMDWHHTO-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1cc(B(O)O)ccn1	2212607363	KHGCGNPYIVSLMY-APPZFPTMSA-N	223.037	-0.825	50	10	BBGE	
COCCN(CCO)CC1(C(=O)NN)CCC1	2216528791	UMOXZNBQLVUIQB-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
CC1(C)CNC[C@@H]1Oc1ncccc1B(O)O	2217171619	FHLSMPCTZAYKGK-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
C[C@H]1CC[C@@H](CN=c2ncc(B(O)O)c[nH]2)C1	2217172067	HNQCCDQMDIVDGY-DTWKUNHWSA-N	235.096	-0.574	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)Nc1ncccc1B(O)O	2217174276	YJLABWUTHSBKOG-BDAKNGLRSA-N	238.096	-0.277	50	10	BBGE	
CC[C@H]1COC[C@H]1Nc1ncccc1B(O)O	2217177034	DTIXCQAAULYJGF-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1Nc1ccc(B(O)O)cn1	2217178183	SFLKMXMPFFJJDH-WEDXCCLWSA-N	236.080	-0.261	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H](O)C2)c1F	2217179297	JCJYRPWTZPLVGG-BQBZGAKWSA-N	240.043	-0.774	50	10	BBGE	
C#CCCN(c1ncc(B(O)O)cn1)C(C)C	2217197668	PHQXYTCDINBFOB-UHFFFAOYSA-N	233.080	-0.606	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC=CC[C@H]3C2)nc1	2223631831	BGENVKZWRNEVOX-AOOOYVTPSA-N	245.091	-0.441	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]3CN[C@H]2C3)cc1B(O)O	2223640546	MAQYZGFWLDJHQL-LSJOCFKGSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@H]3CC[C@H]32)nc1	2223655230	XWUOOIZSFMRQLU-OUAUKWLOSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccc(OC[C@@]23CC[C@@H](CN2)C3)nc1	2223657535	CFCRZBSLXFXZDO-SKDRFNHKSA-N	248.091	-0.718	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(CCCl)C[C@@H]2O1	2241302791	HBHCLAQOTVUDKC-HLTSFMKQSA-N	221.684	-0.314	50	10	BBGE	
NCC1(OC[C@H]2C[C@H]2Cl)CS(=O)(=O)C1	2241505100	ZZBHFRSEFZYVGF-RNFRBKRXSA-N	239.724	-0.244	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243348289	WPIUHCHSOMCDRT-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(F)ccc1F	2243356086	BFAQEZRRICIHET-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
C#C[C@H](NC(=O)C1(B(O)O)CC1)C1CCC1	2243359473	UGNQLCBXEGYGMP-VIFPVBQESA-N	221.065	-0.089	50	10	BBGE	
C#CC[C@@H](NC(=O)C1(B(O)O)CC1)C1CC1	2243363140	BPOQPPPNMIRSSD-SECBINFHSA-N	221.065	-0.089	50	10	BBGE	
C[C@]1(CCNC(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243396678	PLPNETJLLOOVTG-XKSSXDPKSA-N	226.085	-0.892	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCCN1	2243396887	SFBQUZNGIDXKLG-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
O=C(C#CB(O)O)NCCOC1CCCC1	2243400102	VWXDJCZLLMPYOR-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
CCN(CC(=O)O)C(=O)C1CC(B(O)O)C1	2243752111	FQHBXMTZVROCKB-UHFFFAOYSA-N	229.041	-0.828	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCS2)CC1	2244340222	QVUCTVOZQWERHU-UHFFFAOYSA-N	239.105	-0.500	50	10	BBGE	
Cc1noc(C)c1[C@H](C)NC(=O)C#CB(O)O	2247741895	HKBSMSZMZCEKGG-LURJTMIESA-N	236.036	-0.516	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786720	FTVDIASTUIOMSX-BBBLOLIVSA-N	241.096	-0.053	50	10	BBGE	
C[C@@](O)(CNC(=O)C1CC(B(O)O)C1)C1CC1	2247796544	APFXBDCCUYLVQX-LKXRVVKTSA-N	241.096	-0.483	50	10	BBGE	
CC[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCN1	2247796823	CZBJWHRYCXSCHH-IQJOONFLSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2CC(B(O)O)C2)[C@H]1C	2247797053	FUZLREZTBYCQLR-DKEVHCRPSA-N	240.112	-0.552	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247800335	NVRSSFTWSOPRJY-XKNYDFJKSA-N	243.112	-0.237	50	10	BBGE	
O=C(Nc1nnc(C2CC2)o1)[C@H]1C[C@H]1B(O)O	2247804802	IREXWZVOAGJZNS-NTSWFWBYSA-N	237.024	-0.252	50	10	BBGE	
O=C(NCC1CCC(O)CC1)[C@H]1C[C@H]1B(O)O	2247806492	NNXNIPYFLRLILY-HORUIINNSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247809555	QCALSOZGIFJLCJ-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
CN1CCC[C@]1(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247809839	RPFIDRXSYOBBRE-ATZCPNFKSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)NCc1cc2c(s1)CCC2	2247847799	BRZPAYWPAPPMDY-UHFFFAOYSA-N	249.100	-0.132	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCN1	2247853728	QNXBXBKOXGQDMB-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
COC1CC2(C1)C[C@@H]2NC(=O)[C@H]1C[C@H]1B(O)O	2247855854	ZDAHQEMJJAMULF-ZRFWENAYSA-N	239.080	-0.467	50	10	BBGE	
CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247858868	IRKHOXLPNLRCDC-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cc(B(O)O)cn1C	2247868512	GSKBSTATSLJOIU-QMMMGPOBSA-N	238.096	-0.519	50	10	BBGE	
O=C(NCC1(F)CCOCC1)C1(B(O)O)CC1	2247872559	URYHUYQXDKCIFA-UHFFFAOYSA-N	245.059	-0.372	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)NCCF	2247872682	XFMRCBUTHRBGFQ-UHFFFAOYSA-N	242.059	-0.552	50	10	BBGE	
CC#CC[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247878724	MKGQFIDIJJOJKE-SECBINFHSA-N	239.080	-0.726	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247896935	MBMXMXGXHQLVEH-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
CCC[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C	2247900115	UBYBSVPIHGPHDK-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)C1CC(B(O)O)C1	2247909120	FMZLRKREZDJBKA-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
O=C(O)CCCCCCNC(=O)C#CB(O)O	2248585042	FSGDHCCCXSHGAD-UHFFFAOYSA-N	241.052	-0.847	50	10	BBGE	
CC(C)(C)[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248585851	RFXWESNIMILRHS-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cocc1B(O)O	2249408044	DFCRNNXKRXKPFZ-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2249410190	XUSMAMDSJUKNDW-DTWKUNHWSA-N	237.064	-0.266	50	10	BBGE	
C=CCN(Cc1c(C(=O)NN)cnn1C)OC	2249505575	RRSBLIFZPGNGDH-UHFFFAOYSA-N	239.279	-0.427	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255461991	PEIFSXYESJQDPU-ZJUUUORDSA-N	248.091	-0.387	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1ccc(B(O)O)o1	2255467029	HPUDBAUEGLXFIR-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]1c1ccccc1	2255472392	FQBLIULONICROU-VXGBXAGGSA-N	243.071	-0.078	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1cncc(B(O)O)c1	2255524946	ZTQKJADRQXMIOM-GFCCVEGCSA-N	248.091	-0.320	50	10	BBGE	
CCC1(N(C)C(=O)c2ccc(B(O)O)cn2)CC1	2255715903	LTYYDOHAZPXBOJ-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@H]2C[C@@H]21	2255719008	CKBACHFSBLNQBU-UJNFCWOMSA-N	249.075	-0.204	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1ncncc1B(O)O	2255736659	RJEIOOSQKDBMNX-QMMMGPOBSA-N	249.079	-0.759	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1[C@@H]2CCC[C@@H]12	2255738511	UNBLXTYJUVRDPV-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@@H](C)C1	2257487128	KYPNZDJVGCHUHZ-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)[C@@H]2C=C[C@H]1C2	2298168191	QRZOBVCIDNBYFA-KATARQTJSA-N	235.287	-0.211	50	10	BBGE	
C[C@@]12CN(C(=O)[C@H]3C[C@@H]3B(O)O)C[C@]1(CO)C2	2298377026	BFXNKDFIUZKQQK-HLFFCZDVSA-N	239.080	-0.920	50	10	BBGE	
COc1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1	2298955481	RLWNAZTXAWDXCG-CBAPKCEASA-N	237.259	-0.517	50	10	BBGE	
CN[C@@H]1CN(CC(=O)NNC(C)=O)CC1(C)C	2299722779	ZXMYZPJHEQNQKB-SECBINFHSA-N	242.323	-0.917	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2(CC(O)C2)C1	2302058804	GUDCPTYZBODBTO-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303835161	RQVNVPZVSLOODM-JIGDXULJSA-N	238.071	-0.364	50	10	BBGE	
CC(=O)Nc1nccnc1C(=O)N(C)N	39319920	LOPOCESWOFOPBR-UHFFFAOYSA-N	209.209	-0.619	50	10	BBGE	
C[C@H](NC(=O)NC(=O)[C@@H](C)Cl)C(=O)N(C)C	42576103	BKMHWPOEYMPMJU-RITPCOANSA-N	249.698	-0.084	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnn(C)c1	82470445	JPRQALLKXIYQGD-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCOCC1	86313286	JWGXLNVVZCKQPO-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1CCC(OCCO)CC1)C(=O)NN	129813419	ZCLYQVUGCMEUSX-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C#C[C@@H]1CC[C@@H](C(N)=O)N1C(=O)CCl	148415599	PCXNOANKBYOEIH-RQJHMYQMSA-N	214.652	-0.297	50	10	BBGE	
COCCC(=O)NCCNC(=O)[C@H](C)Cl	169918334	ROOGTBSRTBFCHX-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
CCNC(=O)c1cc(F)c(C)c(B(O)O)c1	203249250	BIBGVBYNIWLCFH-UHFFFAOYSA-N	225.028	-0.436	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@H](CO)C1	228520495	JMOLDLKMXIJUSX-YUMQZZPRSA-N	204.657	-0.190	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCCO)C1CCC1	228568486	FKUMBWDTYCKOKT-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=S(=O)(CCCl)N1CCO[C@@H](CO)C1	232300618	BNIRNOHMTQSJKP-SSDOTTSWSA-N	243.712	-0.752	50	10	BBGE	
NC(=O)NNC(=O)CCOCC(F)(F)F	232351734	QIBYXKYWGLZFOB-UHFFFAOYSA-N	229.158	-0.345	50	10	BBGE	
C=CCCCO[C@@H](COC)C(=O)NN	232418520	OZWHRBCXUOYTAP-QMMMGPOBSA-N	202.254	-0.026	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	232419343	VUGQEIGQYULHHG-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1C(N)=O	251290378	HMQFLGCIFZHCBY-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCCC[C@H]1CO	253178262	RKFJUWDVPKKMMU-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
O=C=NCc1ccccc1N1CC(=O)NCC1=O	258345330	NGNKGWDTIRLRIG-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CNC(=O)C1	299465308	ZYLNPIPWROUVJB-LURJTMIESA-N	243.263	-0.322	50	10	BBGE	
NNc1ccc(B(O)O)cc1CCl	306712272	YSEYAFGFDAIDNO-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
COCCOCc1nc(C(=O)NN)co1	386950385	IRCUNMQKGYICSN-UHFFFAOYSA-N	215.209	-0.559	50	10	BBGE	
O=CCCc1c(/C=C/C(=O)O)cccc1B(O)O	396134421	UNWGKONNAMAPQV-VOTSOKGWSA-N	248.043	-0.404	50	10	BBGE	
Nc1c(CO)sc2cccc(B(O)O)c12	396244114	MAPCKJYCTWVNMZ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CCOC1(C)CN(Cc2cccc(B(O)O)c2)C1	399968767	DJHUPZCMHZJORW-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CCCCC(=O)NN)C1	401697254	KQQBBJNKFJCSMW-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CC[S@](=O)Nc1ccc(F)cc1B(O)O	404959169	ZHPUDEABHLYXDE-HNNXBMFYSA-N	231.057	-0.399	50	10	BBGE	
C=CCNC(=O)Nc1ccccc1B(O)O	405161795	GYCIUVRJDBKLKR-UHFFFAOYSA-N	220.037	-0.326	50	10	BBGE	
O[C@H]1C[C@H]2CN(CCOCCCl)CCN2C1	405205118	FRSPSZCMOIULHT-QWRGUYRKSA-N	248.754	-0.007	50	10	BBGE	
CCN(CCN(C)C)[C@@H](C)[C@H](C)C(=O)NN	688910681	JFSNMFZWRPHLEC-UWVGGRQHSA-N	230.356	-0.116	50	10	BBGE	
NNC(=O)CCCCN1CCSCC1=O	691041968	VTUNTTTWUGRYKF-UHFFFAOYSA-N	231.321	-0.278	50	10	BBGE	
CN(N)C(=O)COc1ccccc1C(N)=O	704682642	YCZZDDDZSSBRNW-UHFFFAOYSA-N	223.232	-0.504	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCCCC[C@H]21	707277451	ASBAAYAIHZFRIT-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
CCNC(=O)N1CCCc2cccc(B(O)O)c21	712125141	DSSIDLDZUTZPAT-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
COC[C@@H](Cl)CN(C)CCn1cnnn1	712590141	BPMUZBVVFGTNDW-QMMMGPOBSA-N	233.703	-0.141	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)c1cnn[nH]1	716735276	LTAPJFMZQYCNDR-LURJTMIESA-N	231.687	-0.297	50	10	BBGE	
Cc1coc(C(=O)Nc2cc(B(O)O)ccn2)c1	718561141	WPPBXKZUJWGHMY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COCCOCC(=O)NNC(=O)C1(F)CC1	869902908	BASWTXLHOOGJJT-UHFFFAOYSA-N	234.227	-0.701	50	10	BBGE	
CC(CN1C(=O)CCC1=O)=NNC(=O)CC#N	1084493675	IPOHOLIFLQOCNL-UHFFFAOYSA-N	236.231	-0.459	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1	1163317589	ZTTFZUHVYIHRDH-ZCFIWIBFSA-N	242.235	-0.120	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCc1nncn1C	1627458887	KOEFSANBHWBMSB-VQHVLOKHSA-N	249.274	-0.082	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)c1cccnn1	1628409316	MHVSVRMNHIXQDN-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1cc(=O)n(C)c(=O)n1C	1865766930	WKHZGDZFQJPVBN-RXMQYKEDSA-N	245.666	-0.350	50	10	BBGE	
O=C(CBr)N=c1ccnc(O)[nH]1	1866000550	YEVZADYXLRUGFH-UHFFFAOYSA-N	232.037	-0.063	50	10	BBGE	
C=C(COC[C@H]1OCC[C@H]1C)B(O)O	1877552477	LTPWPZQNIFXLFG-VXNVDRBHSA-N	200.043	-0.004	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@]1(O)CCNC1	1882572432	NXFOGDFJZSWWCA-SSDOTTSWSA-N	227.091	-0.369	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1Br	1883537521	IQJQCPBKTBZWIG-ZLUOBGJFSA-N	247.092	-0.226	50	10	BBGE	
CC[C@@H](CO[C@H](C)C(=O)NN)N(C)C	1885003333	QHNLGXLTVWKVRI-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@@H]1CCl)c1nc[nH]n1	1885226202	JYPLMUVPULMQLP-RFZPGFLSSA-N	236.684	-0.290	50	10	BBGE	
CS[C@H](C(=O)NNC(N)=O)C1CC1	1886720007	LUGZUCMFDPQPCZ-YFKPBYRVSA-N	203.267	-0.173	50	10	BBGE	
CN(C)NC(=O)C[C@H]1CNCCOC1	1898993911	GZILXCRPYVITKK-QMMMGPOBSA-N	201.270	-0.795	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1CN2CCC1CC2	1900898248	MUGPKYPJBPUZFI-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
CC(C)=C(Cn1nc(C)n(C)c1=O)B(O)O	1901627032	QZSHNOLGHVLLFH-UHFFFAOYSA-N	225.057	-0.761	50	10	BBGE	
CC(C)=C(CN1CC2(CN(C)C2)C1)B(O)O	1901711162	ULDLQJZKRAWZAO-UHFFFAOYSA-N	224.113	-0.418	50	10	BBGE	
CN(C)C(=O)CCCN1CC[C@@H](B(O)O)C1	1902506519	UPQHZTSQNGYGDX-SECBINFHSA-N	228.101	-0.597	50	10	BBGE	
COCCCNC(=O)N1CC[C@H](B(O)O)C1	1902548765	RRPSJKNJMDDRRY-QMMMGPOBSA-N	230.073	-0.719	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CC[C@H]1C2)C(=O)NN	1912263931	QCKPLIVZYHKWRX-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
COc1ccc([C@H](N)B(O)O)c(OC)c1OC	1912278009	OLJAQUJSTVSDJX-JTQLQIEISA-N	241.052	-0.276	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)CC(=O)NN)[C@@H]1C	1914335091	NOMVSXVXCMEWJH-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CN1CCC2(COC2)C1)C(=O)NN	1915567108	HDWZFPXEDISOAF-MRVPVSSYSA-N	213.281	-0.665	50	10	BBGE	
CN(CCOCC(=O)NN)C1CCCC1	1928178624	HXGNRWXOBPXJEO-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
O=C(COCC(F)(F)F)NNCCO	1929835569	UWGQMWREXIIOTM-UHFFFAOYSA-N	216.159	-0.822	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1COC[C@H]1O	1933390815	ZHNGIQOBTZOYSJ-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
COC1(CO)CN(C(=O)CCCl)C1	1935350749	AXNCFMJCBPBCFS-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@@H]1C(=O)O	1935410521	XDXBNWAMKNULFZ-BQBZGAKWSA-N	215.253	-0.127	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2C[C@H](O)CC[C@H]21	1935707302	SONPJCFRKSZHPT-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CC[C@H]1C2	1936091903	PRWMBPDBIFKATC-LPEHRKFASA-N	224.308	-0.998	50	10	BBGE	
Cc1nnc(SC[C@H]2C[C@@H]2C(=O)NN)n1C	1936093620	GCWPASMRSKBHMC-RQJHMYQMSA-N	241.320	-0.158	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC(C)(C)CO	1938121516	FSQYEZDXGZOLOW-VIFPVBQESA-N	231.340	-0.049	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CC1(C(=O)NN)CC1	1938230789	MWSBFZHINRDKGQ-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CNC(=O)[C@H]1[C@@H](C)CCN1CCCC(=O)NN	1942612065	CRSBFIOORLCPHE-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@H]21	1945074823	MXBLBKYVOMHTOW-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1cc(-c2nn[nH]n2)ccc1Cl	1951336041	IFPKFELZYMDZMX-UHFFFAOYSA-N	224.416	-0.800	50	10	BBGE	
C#CC#CCNS(=O)(=O)CBr	1953335826	USTYCSITTBVIJD-UHFFFAOYSA-N	236.090	-0.105	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CC[C@H]2C3)n1	1961718479	PGZWFDWBTKGLFH-RQJHMYQMSA-N	224.094	-0.188	50	10	BBGE	
NNC(=O)CCN1C(=O)CC12CCOCC2	1975993456	LWPXURLKCJRGNF-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
CCOCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1979179926	VDHHKXXCWIMKIF-UWVGGRQHSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](CCl)CN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1	1979507607	KHYYCPGDCHZKDF-CSMHCCOUSA-N	245.710	-0.840	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCCC2)n1	1980593458	NSNBOWODCLUNMZ-UHFFFAOYSA-N	223.280	-0.381	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@H]2COCC[C@H]21	1980828678	PMSDCVGWQWVIBQ-HLTSFMKQSA-N	245.348	-0.429	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(O)C1	1980981286	VEDAUIIYPILTSE-NGZCFLSTSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](Cl)CC(=O)NCC(=O)N1CCOCC1	1982343969	ORNDOZAHYCKGHX-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](CO)[C@@H](F)C2)CC1	1983557424	FFZQHGBFCCJGCD-YUMQZZPRSA-N	231.271	-0.981	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC1(C(N)=O)CC1	1983759630	XCJYCPIZEGTIKH-RXMQYKEDSA-N	247.682	-0.295	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CC2(F)F)n1	1985885292	WIQVIZLQEOXKNL-LURJTMIESA-N	229.979	-0.749	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC2(CC(O)C2)C1	1986978526	ZLAOSMHYBGXEHW-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](COC)CC(=O)NCC#CB(O)O	1992152464	FJQPRICEYMBTEO-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
CC12CC(Cn3cc(B(O)O)cn3)(CO1)C2	1993902433	BSBSJAPCGHUNGA-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
CCO[C@H](CNC(=O)C(=O)NN)C(F)(F)F	1994186972	AOOSEOKKHGOWAJ-SCSAIBSYSA-N	243.185	-0.940	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2CC[C@@H](O)C[C@@H]2C1	1994259374	VXDZBPBCTHKQGC-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCN2CCCC(=O)NN)C1	2004171638	SUKLKVIHHKGCEW-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
CC[C@H]1C[C@@H](C)CN1c1ncc(B(O)O)cn1	2004912923	ZNMYNWDFHUQOKU-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
CN(CC1(C)COC1)c1ccncc1B(O)O	2004929816	NXXWWHOWOUZURZ-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@@H]2CO)n1	2007495530	JQIDHVWIESSGQW-SSDOTTSWSA-N	238.247	-0.989	50	10	BBGE	
COC[C@H](Oc1cncc(C#N)c1)C(=O)NN	2007701655	YLMOUDASZMXRTN-VIFPVBQESA-N	236.231	-0.663	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896043	ALRKAIFYTLPELJ-VLEAKVRGSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016495674	AQKJUKDXYQOZBE-WSOSLHDDSA-N	240.303	-0.089	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](C2CC2)C1	2019213408	VSJAUEDHVGBTMD-JTQLQIEISA-N	241.291	-0.736	50	10	BBGE	
C=C(Cn1nnc(-c2ccccc2)n1)B(O)O	2021159533	UYTZVCOGDCBFON-UHFFFAOYSA-N	230.036	-0.092	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H]2CCC[C@H]1COC2	2021404410	OYYGVDQIHVBUTE-NAKRPEOUSA-N	239.319	-0.134	50	10	BBGE	
COC1(C(=O)Nc2cc(B(O)O)ccc2C)CC1	2047744507	CIWSIQZYHLIQDO-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)ncc1B(O)O	2052554944	BXXFURZMXFVLHF-XKSSXDPKSA-N	249.123	-0.054	50	10	BBGE	
CCc1cc(C#N)c(C=O)c(B(O)O)c1	2060237959	XYZDUMIYGFZRNY-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
COc1cc(B(O)O)c(C#N)cc1[N+](=O)[O-]	2060291482	VQHGWTGMFYIRLK-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
CS(C)(=O)=Nc1cccc(B(O)O)c1	2209876662	NCYLSKRHYZNDOO-UHFFFAOYSA-N	213.067	-0.275	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H](F)C[C@@H](Cl)C1	2210710683	WYAOSPWVCSDHFU-RNFRBKRXSA-N	247.661	-0.149	50	10	BBGE	
Cc1ncn(-c2cc(B(O)O)ccn2)c1C	2212594246	FIIIFHYDTKVWKH-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1cnc(N2CCC=C(F)C2)nc1	2212610416	IJVDCMJBLJGPGC-UHFFFAOYSA-N	223.016	-0.780	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2212612304	JRBUNSYSOSPITH-RKDXNWHRSA-N	221.069	-0.947	50	10	BBGE	
COC[C@H](OCC1CCN(C)CC1)C(=O)NN	2214826890	CBFHBIFIUIJRBC-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2215771532	IOTFXLTWAFQKFE-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@H]1CC[C@H]1C(=O)NN	2215776372	MKKSUBUVMBIRLJ-CKYFFXLPSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H]1COCC(=O)N1CC1(C(=O)NN)CCC1	2216490690	HKLXVUGQJZVWQY-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
N[C@H]1CC12CC(Oc1ccc(B(O)O)cn1)C2	2217171422	DFFGONOLKNTPDQ-YUCVTWSNSA-N	234.064	-0.980	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2217171623	CROBLQHIQIKSEE-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23COC[C@@H]2C3)c1	2217173959	VOBIDBCRCUBBQH-KWQFWETISA-N	234.064	-0.790	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1Nc1ncccc1B(O)O	2217175985	QCCYMLNXGPRYHM-IUCAKERBSA-N	236.080	-0.667	50	10	BBGE	
CCNCCCCOc1ncccc1B(O)O	2217181406	PNDDMLIZQSSUSX-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
CC[C@@](C)(COc1cc(B(O)O)ccn1)OC	2217193132	SASLYUSITQKFSZ-NSHDSACASA-N	239.080	-0.045	50	10	BBGE	
OB(O)c1cccnc1NC[C@]1(F)CCOC1	2217197839	RRPVGFFJGPWYJJ-SNVBAGLBSA-N	240.043	-0.698	50	10	BBGE	
Cc1cnc(NC[C@H]2CCN(C)C2)cc1B(O)O	2223639784	GSHOYJFGXQIOMU-SNVBAGLBSA-N	249.123	-0.567	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3)cc1B(O)O	2223652848	MHDRPAOWRVEYGJ-AOOOYVTPSA-N	247.107	-0.990	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CC3(CC3)CN2)c1	2223664267	WYONAKNACKDMJS-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CNC[C@H]2C3)c1	2223668845	CAHUJICLRCKHQQ-NGZCFLSTSA-N	247.107	-0.829	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)s1	2243349892	SCIYBPLOEADEKI-ZETCQYMHSA-N	237.089	-0.124	50	10	BBGE	
CCN(O)C(=O)c1cc(C)ccc1B(O)O	2243367375	RVFNDFXSBXUCDN-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
Cc1cc(C(=O)N(C)C2CC2)sc1B(O)O	2243375822	ZAZXGWFRQUDVSJ-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)s1	2243380965	BDNQOEBUTSWZKC-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
COC1CC(N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243393020	ZMXAHXRMBAOBCZ-PEBLOWIWSA-N	227.069	-0.515	50	10	BBGE	
N#CC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243427509	WNXOFJKQQDPYFB-IUCAKERBSA-N	222.053	-0.389	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cocc1B(O)O	2244205313	IEAORTGESFQHEQ-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cocc1B(O)O	2244220052	VVVQRXZWEQEFHC-ZETCQYMHSA-N	221.021	-0.592	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@H]2C[C@@H]2C1	2244539806	NDOGTTNDFVAKQL-RKDXNWHRSA-N	222.053	-0.947	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2247732395	FCWNVVMUQPFOBI-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
C#CC[C@H](CN(C)C(=O)C#CB(O)O)C1CC1	2247743341	CEAWPGBHQZPJRW-LLVKDONJSA-N	233.076	-0.490	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1occc1B(O)O	2247745653	MNZGGUFFXNZJFA-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247750831	OPGDSJAQVXCFJC-IUCAKERBSA-N	240.112	-0.230	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2247796607	BESDLIBHNNFRQD-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
CC(C)[C@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247798126	QIJYZPIGNRTTRK-LPEHRKFASA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CCOCC2)C1	2247805088	AUYCZESZMNOQEW-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247805252	JXXFRJWDYKVXHP-ZYUZMQFOSA-N	240.112	-0.600	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(OCC(F)F)C1	2247806952	PFBFBSKISGQTHQ-NKWVEPMBSA-N	249.022	-0.658	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccnn1C	2247809169	YAYVCMGMVAUJMW-FXQIFTODSA-N	237.068	-0.540	50	10	BBGE	
C=CCN(C)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247810090	UQVAPLNOBCEUFW-VHSXEESVSA-N	238.096	-0.822	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)CCC(F)(F)C1	2247847278	UYGPPAFYOZMWRB-SECBINFHSA-N	245.034	-0.057	50	10	BBGE	
CN(C[C@H]1C[C@@]1(C)C(F)F)C(=O)C#CB(O)O	2247849839	GBZPDKWWKLIVIB-GMSGAONNSA-N	245.034	-0.249	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2247851462	YTUVNALCHOSDBP-HTRCEHHLSA-N	248.997	-0.294	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1coc(B(O)O)c1	2247853355	KXKAMABGAMKLKD-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247855357	REGGYBBBXXZLBG-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC1(C2CNC2)CC1)C1(B(O)O)CCC1	2247873517	CNUJBQFZLJQTNP-UHFFFAOYSA-N	238.096	-0.748	50	10	BBGE	
CCc1cnc(CNC(=O)C2(B(O)O)CC2)o1	2247877639	CNDFAMVNYKMHCO-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
O=C(NCC[C@H]1CCOC1)C1(B(O)O)CCC1	2247879539	UJIHDRZNUZWCJX-VIFPVBQESA-N	241.096	-0.074	50	10	BBGE	
O=C(N1CCC[C@H]2COC[C@@H]21)C1(B(O)O)CC1	2247880010	ZVEYSPUWMOIQLJ-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]2C[C@@H]21	2247887758	RKJAZZNWQRVKHR-AATLWQCWSA-N	238.096	-0.846	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC[C@H]1CF	2247894150	CSTCXZYHINZFFT-IWSPIJDZSA-N	245.059	-0.564	50	10	BBGE	
Cc1nnc(NC(=O)[C@@H]2C[C@@H]2B(O)O)nc1C	2247896914	LXHMKQJVIWPTIP-RQJHMYQMSA-N	236.040	-0.710	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247897826	XGACAWCLWHEBOE-BQHMLIOBSA-N	239.080	-0.610	50	10	BBGE	
O=C(O)[C@@H]1C=CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586807	HHWVXRHTFMQMEM-RNJXMRFFSA-N	239.036	-0.909	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@H]2CC[C@@H]2C1	2249984828	AHJDJKZNORZXKJ-NXEZZACHSA-N	236.080	-0.557	50	10	BBGE	
C#CCN(C(=O)c1coc(B(O)O)c1)C(C)(C)C	2255457041	XHMFXSMKSKQOPV-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1ccc(B(O)O)o1	2255461703	LMPRXRZVPNQPPJ-IUKDSNFXSA-N	247.059	-0.656	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1ccc(B(O)O)o1	2255461705	LMPRXRZVPNQPPJ-WCTZXXKLSA-N	247.059	-0.656	50	10	BBGE	
O=C(NCC1CCCC1)c1ncc(B(O)O)cn1	2255470610	HFMBAJSRNAJOTL-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
CN[C@@H](CNC(=O)C#CB(O)O)c1ccccc1	2255474188	QGXSJLKAVNUTTA-NSHDSACASA-N	246.075	-0.921	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255516926	RLGHWGURDHHARS-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)c1cn[nH]c1	2255738867	ZVTKDTMYSZEVFN-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccsc1=O	2297013341	AAXUQJBZGLFUAW-RXMQYKEDSA-N	201.251	-0.149	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc1	2298224626	UCMPKLJVIBYPQW-IVZWLZJFSA-N	234.064	-0.507	50	10	BBGE	
CC(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1=O	2298368448	FGLGVPJSYLROMH-HLTSFMKQSA-N	239.080	-0.120	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)[C@H]1C[C@H]1B(O)O	2298368573	MTUMFEZGRFLSTJ-CKEKPRIKSA-N	238.096	-0.892	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2299036260	WQTYMIMUHQBKMD-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)CO2	2300493785	GPXLBEJCZOVWOS-CQKCGHAMSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1ccccc1C(N)=O	2300926929	QFJLMXKYUXUYJP-SSDOTTSWSA-N	237.259	-0.067	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303102848	AUDDAKQBNMBFIY-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)N1CC[C@H](B(O)O)C1	2303110946	FMDSYJBOBZIPII-UDLFHZNPSA-N	235.092	-0.036	50	10	BBGE	
CC12CC(C1)N(c1cc(B(O)O)c(F)cn1)C2	2303836289	KHAWXNLUHKCCRJ-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
Cn1cc(Nc2cc(B(O)O)c(F)cn2)cn1	2303847777	ODGSQGLQSHKDRX-UHFFFAOYSA-N	236.015	-0.622	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CCCN1	2317207362	SNAFRRDRLSPZRF-NSHDSACASA-N	246.075	-0.631	50	10	BBGE	
CN[C@@H](C)CCOc1ccc(B(O)O)cc1C#N	2317211349	KHGOJMWIVOPJMS-VIFPVBQESA-N	248.091	-0.385	50	10	BBGE	
O=Cc1ccc(N2CCC[C@@H](O)C2)cc1B(O)O	2317310479	AYKKMXWBXLLTFI-LLVKDONJSA-N	249.075	-0.860	50	10	BBGE	
COCCNC(=O)C(C#N)=CN[C@H](C)C(=O)O	2324623739	IYQRAHMORFYVAG-SSDOTTSWSA-N	241.247	-0.781	50	10	BBGE	
CN(C(=O)CCl)[C@@H]1C=CS(=O)(=O)C1	33373445	KKINIEQSMYBTAT-ZCFIWIBFSA-N	223.681	-0.006	50	10	BBGE	
Cc1nn(C)c(C)c1C(=O)NNC(N)=O	70044655	CGDXYUHJIDSPSW-UHFFFAOYSA-N	211.225	-0.650	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@@H]1C(N)=O	71291822	KCLOAXLTODKJNN-SECBINFHSA-N	242.323	-0.514	50	10	BBGE	
CNCCN(C)[C@H](C)[C@H](C)C(=O)NN	86313698	SZBNXRONWMQYPY-JGVFFNPUSA-N	202.302	-0.848	50	10	BBGE	
CCN(CC(=O)NC)CC(C)(C)C(=O)NN	86597867	XOXPXEYNQSUNGY-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NN	86930335	QTWPKBAGIYGKGQ-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)CCl)C1=O	114650164	XFBCZHUPXFNEBT-BYPYZUCNSA-N	204.613	-0.901	50	10	BBGE	
N#C[C@@H](Cl)CN1C(=O)COCC1=O	132581050	SVSMZFOLHDAZMC-RXMQYKEDSA-N	202.597	-0.497	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCOC1	134791245	DQILNYFMLNLHBI-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CCl)NC(=O)CS(C)(=O)=O	137148634	RXUUFSMFOVLKSJ-RXMQYKEDSA-N	213.686	-0.226	50	10	BBGE	
N#CC(C#N)=C1NCCCN1CCCO	144870096	NAEZYLPGCJUQFG-UHFFFAOYSA-N	206.249	-0.077	50	10	BBGE	
Cc1cc(B(O)O)ccc1-c1ncon1	170013951	UCGRVUVNKPYXHD-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
COC(=O)CN/C=C(/C#N)C(=O)NC(C)C	217184362	VNDYKXPLRFOVND-YVMONPNESA-N	225.248	-0.319	50	10	BBGE	
CCN1CCCN(CCC(=O)NN)CC1	238229298	JLSZMTKISXDYAF-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CCOC1	250686003	FGXUIALQLQPKQF-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H](C)O	250693396	NFJVSMBUCNZHDK-JGVFFNPUSA-N	203.286	-0.687	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251566177	SLNPJSCFLZCMMG-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3C[C@H]3C2)cc1	306672060	ZVIPPPHTUHTCBK-QWRGUYRKSA-N	217.077	-0.182	50	10	BBGE	
CN(c1nnnn1C)S(=O)(=O)CCl	307029212	IWYOVEMDKPFJSG-UHFFFAOYSA-N	225.661	-0.828	50	10	BBGE	
C[C@@H]1OCCN([C@H](C)C(=O)NN)[C@@H]1C	307400632	AHQJMVVQZMFGJL-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
Cn1nnnc1Cn1cnnc1CCl	307597455	NVTGGJURRUPTTB-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
OB(O)c1ccc(N2CCCC[C@H]2O)cc1	381552941	NHJIUDVJGHEKQC-LLVKDONJSA-N	221.065	-0.325	50	10	BBGE	
CNC(=O)CC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	382301925	XSOOLZCAEDKLPF-SFYZADRCSA-N	242.323	-0.931	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1cc(C(=O)NN)no1	383665027	MUOBEJLAELWYLH-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NN)N(C(=O)C2CC2)C1	384161702	WBWUAINSWAXZFP-YUMQZZPRSA-N	227.264	-0.998	50	10	BBGE	
Cc1ccn(CCC(C)(C)C(=O)NN)c(=O)n1	395714157	PCDHTTRLRIWBAE-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
CCOc1ccc(CC(C)=O)c(B(O)O)c1	396071510	BAZVOINWSSUZBP-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
OCc1c(B(O)O)sc2cccc(O)c12	396340913	LXQXVSJGZQJNAG-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]([C@@H]1CC1(C)C)N(C)C(=O)C(=O)NN	397649141	SYOIBESSLWQVGJ-RQJHMYQMSA-N	213.281	-0.131	50	10	BBGE	
CN1CCO[C@@H](CSCC(=O)NN)C1	400751714	DAKFMSVQGPASJR-SSDOTTSWSA-N	219.310	-0.960	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)[C@@H](C)CO1	404109246	VSKYAIGAXRRMIH-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C=C(C)C[S@@](=O)CC(=O)NNC(C)=O	526884477	LEGSIPBLWPURQI-CQSZACIVSA-N	218.278	-0.522	50	10	BBGE	
COC[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1	584993007	RFFIOBTVPQQREP-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
Cc1cccnc1Cn1nc(C)c(B(O)O)c1C	694274400	BJPWAGJZLUYXGU-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
COC[C@H](Cl)CNCc1nnnn1C	697788443	ODWXEEWXQUYUQA-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
O=C(/C=C\c1ccccc1)NCB(O)O	702021621	ALTNMTLVTFREDT-SREVYHEPSA-N	205.022	-0.172	50	10	BBGE	
N#C[C@H]1CCCN(CCCC(=O)NN)C1	703230681	VJLMFADZQQVCLX-SECBINFHSA-N	210.281	-0.008	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)[S@@](C)=O	703424535	MCCOFYPOYWRWOA-STTZZVJOSA-N	245.300	-0.330	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1CC12CC2	705172941	FLMUXMWXBDJJIC-MRVPVSSYSA-N	232.048	-0.500	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](CO)[C@@H](CO)C1	705325068	UUBDKYIIWNTVFY-RNFRBKRXSA-N	243.712	-0.955	50	10	BBGE	
CC(C)(CN1CC(n2ccnc2)C1)C(=O)NN	707388933	QSBDHPQAWYYQBQ-UHFFFAOYSA-N	237.307	-0.244	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@H](CO)C1	725674152	YCGPSXFTKLQSRH-GJMOJQLCSA-N	221.684	-0.185	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@H]1CCCO1	729391991	XHGUNADLPOCIHR-SNVBAGLBSA-N	249.270	-0.050	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)on1	729456335	CXALPFKRSUJNRC-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
COC[C@H](C)C=NNC(=O)[C@H]1CCC(=O)N1	863148551	DXEVBMIDWUMUCX-HTQZYQBOSA-N	227.264	-0.351	50	10	BBGE	
CN1CCN(C(=O)NNC(=O)CCF)CC1	908053611	QPTLCHAEXCLYEN-UHFFFAOYSA-N	232.259	-0.666	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cocn1	1134613994	CVXGPNRSFQYLFW-UHFFFAOYSA-N	223.148	-0.868	50	10	BBGE	
CC(=O)NNC(=O)c1c(O)nnc(C)c1C	1136046327	UGRQRIPHQCWVGJ-UHFFFAOYSA-N	224.220	-0.420	50	10	BBGE	
CNC(=O)NNC(=O)c1nc(O)c(C#N)cc1C	1292010798	PSLBTOCHRPSRKC-UHFFFAOYSA-N	249.230	-0.459	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)CC[C@@H](C)O	1307478972	MCNZDUSAVYLTNC-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=S)NCc1cc(C)on1	1331875061	XKYAJHBXPPGYKJ-UHFFFAOYSA-N	228.277	-0.002	50	10	BBGE	
CO[C@@H](C)C(=O)NCCSS(C)(=O)=O	1455115923	SVTFYFRGUXASRM-LURJTMIESA-N	241.334	-0.170	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN=c1cc[nH]cc1	1567459194	ZYSLJQHRUJVEJC-HPOULIHZSA-N	207.233	-0.116	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc2ncccn2n1	1583488308	DPXIFRHGNSAETF-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
CCCNC(=O)NNC(=O)c1ccc[n+]([O-])c1	1626982568	MJSYTFVAVKNLBE-UHFFFAOYSA-N	238.247	-0.326	50	10	BBGE	
Cn1cncc1CC(=O)NNc1cnnn1C	1648816209	LEIAKAQEKXDXTG-UHFFFAOYSA-N	235.251	-0.766	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1cc(C)[nH]n1	1654442243	SSRYZJXPWLXRTP-UHFFFAOYSA-N	236.231	-0.871	50	10	BBGE	
CC(C)(C)CC(=O)NN(CC(=O)O)CC(=O)O	1858081686	ZQWMRDOYRNQFJY-UHFFFAOYSA-N	246.263	-0.075	50	10	BBGE	
CN(C)c1ncc(/C=N/NC(=O)CC#N)cn1	1873498973	VKVIOJIGEJHONA-VGOFMYFVSA-N	232.247	-0.094	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSC1CNC1	1882111283	WDVXFROSWHLORF-FSPLSTOPSA-N	201.295	-0.683	50	10	BBGE	
NC(=O)[C@]1(OC[C@H]2C[C@H]2Cl)CCNC1	1893097915	FUCLJIZQWWJRNM-BHNWBGBOSA-N	218.684	-0.152	50	10	BBGE	
C=C(CN1CCC[S@@](=O)CC1)B(O)O	1895212874	VBEMFPZTOFAVKA-CQSZACIVSA-N	217.099	-0.991	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](O)C[C@H]1CO	1899578347	ZALAJJDXOHARRB-NKWVEPMBSA-N	243.712	-0.670	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cnsc1B(O)O	1900467422	RXPYKMVSNQFXAL-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@@H](O)C1	1900507780	WAJWBFFLUBZIMZ-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@H]1CO	1900666144	JEAXFFZWHPIPMV-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@H]1CN)S(C)(=O)=O	1901372851	CNLLPJIFAFGUSU-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
C=CC[C@H](N)C(=O)NN(C)S(=O)(=O)C(C)C	1901377975	VGHCRJUAUGPDLE-QMMMGPOBSA-N	249.336	-0.409	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CC(C)(C)CC1=O	1905541625	LMLLBHGMPNZOHZ-ZETCQYMHSA-N	241.291	-0.070	50	10	BBGE	
CCCN(C1COC1)[C@@H](C)C(=O)NN	1915661786	YISZVJFLSUONJL-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
O=S(=O)(CCl)N(CCO)C1COC1	1915694612	JDZLESBCNQEFOV-UHFFFAOYSA-N	229.685	-0.794	50	10	BBGE	
N#C[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1927816405	MLSGOGMYJIKZBG-LURJTMIESA-N	218.207	-0.543	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]1CO	1929742858	ZQIUDOOTYRHRNH-JGVFFNPUSA-N	201.270	-0.933	50	10	BBGE	
CNC(=O)CCSCC1(C(=O)NN)CC1	1931267014	NOPJXZVLDAAFGQ-UHFFFAOYSA-N	231.321	-0.374	50	10	BBGE	
CC[C@@H](CN)SCCOCC(=O)NN	1934333719	MUHYPVZJQLGUJU-ZETCQYMHSA-N	221.326	-0.537	50	10	BBGE	
Cn1cnnc1[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1934445477	JCMDLBIYCBDZKV-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088309	MDBYBFQXOQBXCD-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CN1CC[C@H]2COCC[C@H]21)C(=O)NN	1936281260	BKDDOIGTUSNDDI-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1937055888	YVRNUJZTSOEBLV-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
CCCSC1CN([C@H](COC)C(=O)NN)C1	1939027673	LBMRJHILMOUCLV-SECBINFHSA-N	247.364	-0.181	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@@H]21	1940721871	XDLKBEMVAAPELM-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CCN1CC[C@H](O)[C@H](F)C1)C(=O)NN	1941010872	ADBBLHYQACFZOC-BDAKNGLRSA-N	247.314	-0.203	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941070967	DIUMWNCGJVTORR-VLEAKVRGSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@@H]1CCO	1941784290	MPSRDCGBEUAKAA-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
CC1(C)CC[C@H](O)CN1CC1(C(=O)NN)CC1	1950223127	LIFPOLKVHKQPQS-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CC(CO)(CO)[C@H](Br)CO	1952044584	NSDBYHBROXOJEM-RXMQYKEDSA-N	213.071	-0.267	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccc(S(N)(=O)=O)cc1	1952822166	WGSHZHDXIMJHTM-RKDXNWHRSA-N	241.272	-0.782	50	10	BBGE	
C[S@](=O)CC1CN(C[C@H](O)CCl)C1	1953821189	INKWKUMRMIUAGM-OQPBUACISA-N	225.741	-0.104	50	10	BBGE	
OC[C@@H](F)C1CN(C[C@H](O)CCl)C1	1953832527	MXJWGHSYJOZCBZ-HTQZYQBOSA-N	211.664	-0.152	50	10	BBGE	
Cc1cnsc1C(=O)NNC(N)=O	1954039238	MTLZARMMUQBFCT-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
O[C@@H](CCl)CN1CCOCCOCC1	1955370515	CGPQBZOHDNHRDE-VIFPVBQESA-N	223.700	-0.065	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955541094	NEUSUARMBVJHRE-XRBOHMRVSA-N	216.668	-0.457	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CN(C)C[C@@H]1O	1955570471	XYDSQIMJSMSIOG-FXQIFTODSA-N	220.700	-0.205	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](CF)C1	1956917032	DHTQJPCLAIKMFY-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
O[C@H](CCl)CN1CC2(C1)OCCC[C@@H]2O	1958500064	PGVHTJIFOZIAOI-BDAKNGLRSA-N	235.711	-0.188	50	10	BBGE	
CN(CCC(=O)NN)CCn1cccc1	1961477539	JEHQAFZOLDBLTN-UHFFFAOYSA-N	210.281	-0.200	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961927290	UBZKPKFSVCHIIT-JTPBWFLFSA-N	233.695	-0.044	50	10	BBGE	
OB(O)C=Cc1cc(-n2ccnc2)ncn1	1975854852	HWVQGSSVVGIMDA-UHFFFAOYSA-N	216.009	-0.313	50	10	BBGE	
O=C1NC[C@@H]2CN(CCOCCCl)CCN12	1978819559	DRRBVWANSPJREJ-SECBINFHSA-N	247.726	-0.049	50	10	BBGE	
CN(Cc1cc(Cl)n(C)n1)C(=O)C(=O)NN	1979405172	LYSIUNGEOUETFX-UHFFFAOYSA-N	245.670	-0.978	50	10	BBGE	
C[C@@H]([C@@H](C)N1CC(=O)OC(=O)C1)S(C)(=O)=O	1980849746	FHWQLXWQHYZWGN-RQJHMYQMSA-N	249.288	-0.807	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)Cc1cccs1	1981031123	XDNMSRPAUVPMNG-QMMMGPOBSA-N	243.332	-0.079	50	10	BBGE	
CO[C@@H](C)CN(C)c1ncccc1B(O)O	1981424667	WVKNTJLKTNHOFB-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1CCOC1	1981430107	LIMWBZSXGYUYCG-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
Cc1nn(-c2ncc(B(O)O)cn2)cc1Cl	1981464671	FTOSJOXGYCEETO-UHFFFAOYSA-N	238.443	-0.696	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2OCCC[C@H]12	1983239833	WBHZKYCJTPUKHD-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](CN(C)[C@H](CCO)C(F)F)C(=O)NN	1984133265	ZZVABBKVXWPGGD-NKWVEPMBSA-N	239.266	-0.440	50	10	BBGE	
Cc1nc(OCC2(C)CC2)ncc1B(O)O	1986113894	HCYPFVUONYXYFA-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@@H]1CNC(=O)O1	1987122148	YBXXDPNYVFSIBM-RFZPGFLSSA-N	249.654	-0.452	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1989116667	GIQNPHCEPDFFAM-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
COC12CC(C1)N(CC(=O)NNC(C)=O)C2	1990745000	DFVZAMCECBGVTO-UHFFFAOYSA-N	227.264	-0.983	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H](C)C#N	1990775552	XDUVEMKSDNBTRP-QMMMGPOBSA-N	226.280	-0.365	50	10	BBGE	
O=C1N[C@]2(CCNC2)C(=O)N1C[C@@H]1C[C@H]1Cl	1991439016	PKDCUMHSMBEXOM-PJKMHFRUSA-N	243.694	-0.102	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCn2ncnc2C1	1991652993	UJRYXLBSSZPVKD-UHFFFAOYSA-N	240.650	-0.058	50	10	BBGE	
CCc1occc1C(=O)NCC#CB(O)O	1992167562	MQNADEFMTXAFSK-UHFFFAOYSA-N	221.021	-0.413	50	10	BBGE	
C=C(CN(C)[C@H](CCOC)COC)B(O)O	1992167915	RTIDNSFHVMADTC-SNVBAGLBSA-N	231.101	-0.462	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CN2CC[C@H]1C2	1996730431	BJEXAKLIFDSZME-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1c1cccnc1	2004371461	HZDWVSRZTIKPBT-SECBINFHSA-N	234.259	-0.265	50	10	BBGE	
CC[C@H]1[C@@H](C)CCN1c1ncncc1B(O)O	2004916496	MCFQJAZZHHLLLM-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C[C@@H]1F	2004919073	UFZNTRJMSULSLS-CBAPKCEASA-N	239.059	-0.659	50	10	BBGE	
COCCCCN(C)c1ncncc1B(O)O	2004920215	HYQXOKFANFFKCS-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCC(F)(F)C2)n1	2005015004	UXJYKUKTGZTDSV-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1(CF)CCC1	2008843599	BSEFLEQHAWSYGG-UHFFFAOYSA-N	239.055	-0.332	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@@H]1C(C)C	2011337007	RDOWHPXZWAYAGK-ONGXEEELSA-N	243.307	-0.755	50	10	BBGE	
Cn1cnc2cc(C(=O)NNC(N)=O)ccc21	2012303012	WOCOTMJBSLVZOU-UHFFFAOYSA-N	233.231	-0.114	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1C[C@H](CO)C2)C(=O)NN	2012638829	DMSBEVLPYOKYID-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CN1Cc2ccc([N+](=O)[O-])cc2C1	2016890507	NHDOPXJSRLPCSW-UHFFFAOYSA-N	236.231	-0.100	50	10	BBGE	
OB(O)c1cnc(-n2cnc3ccccc32)nc1	2052601693	BQMIYKMGUFQAOS-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(B(O)O)c1C#N	2060287911	YASXUCNLKCBAMN-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
Cc1coc(NC(=O)c2cccc(B(O)O)c2)n1	2079011686	HUJZOPRZXMHVRX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H](F)[C@H](F)C1	2211147113	SSOGXUNYUKVDRO-KNVOCYPGSA-N	248.063	-0.685	50	10	BBGE	
C=CC=CCCN=c1ccc(B(O)O)c[nH]1	2212601934	WFTDBEFBJSCQQR-UHFFFAOYSA-N	218.065	-0.273	50	10	BBGE	
C#C[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612213	IGRHBKLGCCPFAV-VIFPVBQESA-N	216.049	-0.779	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1Cc1cccc(B(O)O)c1	2214597426	WDAPQBYIVOVJHU-CABZTGNLSA-N	234.108	-0.712	50	10	BBGE	
C[C@@H]1CC[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2217172066	HNQCCDQMDIVDGY-BDAKNGLRSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC=CC[C@H]32)c1	2217175446	JAONJSNMRUXMSG-GXSJLCMTSA-N	230.076	-0.084	50	10	BBGE	
COC[C@@H](C)[C@@H](C)Nc1ccc(B(O)O)cn1	2217177904	OXDKIOPKBSIHHC-RKDXNWHRSA-N	238.096	-0.156	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2ncccc2B(O)O)CO1	2217199769	OXNIULDSDNPQJP-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
CCCN(c1cc(B(O)O)ccn1)[C@H]1CCNC1	2223634877	PSCSYHWUGRDJJN-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NCc2ccc(O)nc2)c1	2223636062	FKRYKAPHOSOSHL-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(c2ccc(B(O)O)cn2)C1	2223639775	GRAQNMDKMLQRMK-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
Cc1cnc(N[C@@H]2COC3CC2C3)cc1B(O)O	2223642353	ZXDXHOAHOIEIOL-NWGYLPEXSA-N	248.091	-0.341	50	10	BBGE	
OB(O)c1ccnc(OC[C@]23CC[C@H]2CNC3)c1	2223660505	MGAPMSROSYGMGG-JOYOIKCWSA-N	248.091	-0.860	50	10	BBGE	
O=C(NC1CSC1)C1(B(O)O)CC1	2241474120	WVNDHHJJNYJEPB-UHFFFAOYSA-N	201.056	-0.775	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](O)[C@H](O)CC1	2241592336	KFZVSUULPZIJQC-IWSPIJDZSA-N	223.700	-0.596	50	10	BBGE	
NC1CC(O)(C(=O)N[C@H]2C[C@H](Cl)C2)C1	2241654331	VDLTXMROKVGRFH-BHVXAXQXSA-N	218.684	-0.275	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)c[nH]1	2243356703	LXIUPGZYPUYXKV-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
CCC[C@H](C)NC(=O)c1occc1B(O)O	2243363953	PCXRQJWKVNRAON-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
CCCN1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243380980	BLXVYYUSRKMMOA-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
Cc1cc(O)cc(NC(=O)C#CB(O)O)c1	2243399424	LXENDVRZLYOFQV-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1csc(B(O)O)c1	2243408151	IEMFPYUMYZTPDG-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2243408230	JNHYREKVPXHLEV-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
O=C(NCCc1ccno1)C1(B(O)O)CC1	2243410093	VIVHADHTPWEZKR-UHFFFAOYSA-N	224.025	-0.660	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243411114	OCCDQMXGTFIJFF-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1N[C@H]2CC[C@H]1C2	2243418037	ZKELJNYESKVDIU-PEBLOWIWSA-N	224.069	-0.493	50	10	BBGE	
C[C@H]1[C@H](NC(=O)C2(B(O)O)CCC2)CCN1C	2247732264	DWPJJBAPBUKFCX-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CC1(NC(=O)c2coc(B(O)O)c2)CC(F)C1	2247739227	ZDLSQIRYPJURAL-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccc(B(O)O)s1	2247740217	HWASVLHPSPGXSW-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247740653	NPYGXOBNXGWREU-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CC(F)(F)C1CCN(C(=O)C#CB(O)O)CC1	2247741652	CQMFWZXXAYCRDF-UHFFFAOYSA-N	245.034	-0.104	50	10	BBGE	
CC12CC(C1)N(C(=O)c1cc(B(O)O)c[nH]1)C2	2247744230	PLSIVHUJXCEPOA-UHFFFAOYSA-N	234.064	-0.681	50	10	BBGE	
Cc1nc(C)c(NC(=O)C#CB(O)O)nc1C	2247747159	JTUMBADJTAKTKT-UHFFFAOYSA-N	233.036	-0.644	50	10	BBGE	
C[C@H](CF)NC(=O)c1ccc(B(O)O)cc1F	2247754806	AUXVHRRPMUFYLO-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(C)cc1B(O)O	2247760575	KDOUZQKCHLNKMS-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
N#CC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(F)(F)F	2247790292	GPVVWWWQFURYFD-JKUQZMGJSA-N	249.985	-0.190	50	10	BBGE	
Cc1nc(CCNC(=O)[C@H]2C[C@H]2B(O)O)co1	2247793849	ZWDOOKDSYRQMQT-DTWKUNHWSA-N	238.052	-0.495	50	10	BBGE	
C=CCOCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797032	FSWYAHSNTUHUPG-MGCOHNPYSA-N	241.096	-0.052	50	10	BBGE	
CN(C)CCCN(C)C(=O)C1CC(B(O)O)C1	2247797858	NQZNUUHQDHUTFL-UHFFFAOYSA-N	242.128	-0.351	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1B(O)O	2247798035	POHLBLZUBKWDCL-AATLWQCWSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247800619	QSXHSEIERMRUSU-SEZDTBSWSA-N	241.096	-0.389	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247807036	GZNQSOSXLZWECG-XKNYDFJKSA-N	241.096	-0.221	50	10	BBGE	
NC[C@H]1C[C@@](F)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247807985	SLZWLXQYQPOBPT-OORONAJNSA-N	244.075	-0.958	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247810601	YSLJRKSVCDOSFO-VGMNWLOBSA-N	240.112	-0.552	50	10	BBGE	
O=C1C[C@@H](C(F)F)CN1C(=O)C1(B(O)O)CC1	2247853755	QVGYMOJHVRVRTF-RXMQYKEDSA-N	247.006	-0.366	50	10	BBGE	
NCCC1CCN(C(=O)C2(B(O)O)CC2)CC1	2247874908	UNBZZPGPTISZOV-UHFFFAOYSA-N	240.112	-0.419	50	10	BBGE	
C[C@@H]1COCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247874987	RFZMDHITVBJWMF-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCc1cncc(F)c1)C1(B(O)O)CC1	2247877711	JGCSMCJGVOQRHE-UHFFFAOYSA-N	238.027	-0.156	50	10	BBGE	
C[C@@H](CNC(=O)c1occc1B(O)O)C1CC1	2247879136	RDNXTUWCKQEARL-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586561	CQZVBTKMSLCNLD-YWIQKCBGSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC(C)(C)C	2248969204	ZAOZMMGXSZASFO-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
O=C1NCCCC[C@@H]1N1CCC(B(O)O)CC1	2249358230	QOGDJRJTZOCBJT-JTQLQIEISA-N	240.112	-0.406	50	10	BBGE	
COCCN(C[C@@H](C)O)CC(C)(C)C(=O)NN	2250550331	BABKPSMTMPRDQO-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)CCC#N)n1	2255486540	BYMGTZIZDDPLGO-UHFFFAOYSA-N	247.063	-0.945	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)ccc1C	2255508719	BXEINIOXHOUMSR-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2cccn2)C1)[C@@H]1C[C@@H]1B(O)O	2255582685	IEEVWEXXRFUGMO-RGOKHQFPSA-N	249.079	-0.434	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N(CC1CC1)C1CC1	2255671957	YXUKOQYTQOUSEX-UHFFFAOYSA-N	248.091	-0.291	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)c1cn[nH]c1	2255675853	HTBAPONFELUQMW-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(F)ccc1B(O)O	2255725934	ZZBBMHXKGMLZPY-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cncc(B(O)O)c1	2255736072	GIAOLISQPHCVKB-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1nccnc1B(O)O	2256053148	BGBHAJOJJWVTDJ-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
Cc1ccnc(OCC23CC(CO2)C3)c1B(O)O	2260702438	XJLNVQBNJWFETH-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371863	YAWOUQWUMGWVKK-ZOZBQHSOSA-N	240.112	-0.567	50	10	BBGE	
C[C@H]1C[C@H](C)C1N(C)c1ncc(B(O)O)cn1	2301281821	UUECDBNJOUSVNC-YUMQZZPRSA-N	235.096	-0.363	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(CCO)C1COC1	2302050744	TVLKGPCGXHLKFF-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CCCNC(=O)[C@H](C)N1CC[C@](C)(B(O)O)C1	2303131859	CZAXOPRTKSYHRC-ONGXEEELSA-N	242.128	-0.160	50	10	BBGE	
NCC1(Oc2cc(B(O)O)c(F)cn2)CCC1	2303849351	IWAACRMMVFNZBX-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
OB(O)c1ccc(N2CCN[C@@H]3CCC[C@@H]32)nc1	2319230145	AEFUOJHAGJYBCW-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
C=C1C[C@H]1C(=O)N1CCc2cc(B(O)O)ccc21	2319329579	QASDXVSDPUVLIY-LLVKDONJSA-N	243.071	-0.168	50	10	BBGE	
O=C(CCl)NCCS(=O)(=O)O	41695839	JEZLQBTWMRGZTC-UHFFFAOYSA-N	201.631	-0.771	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@@H]1CCOC1	82465624	AXQATYOGBXMLEA-RXMQYKEDSA-N	210.180	-0.378	50	10	BBGE	
CCN1CCN([C@@H](C)CCC(=O)NN)CC1	82466006	QCBQOGHRVVXEBJ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1CC1	82466935	MPHMZCYVAKQJKS-UHFFFAOYSA-N	210.237	-0.128	50	10	BBGE	
CN(C)C(=O)CCNC(=O)CBr	84698518	VDKQLZQCAMBSOY-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
Cc1cnn(CCn2cc(C(=O)NN)nn2)c1	104113916	CXJKIJNQOBQPEV-UHFFFAOYSA-N	235.251	-0.913	50	10	BBGE	
Cc1ccn(Cc2cc(C(=O)NN)no2)c(=O)c1	104120257	HFSSPPBGZCLLRQ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCN(CC)C(=O)CN(C)C[C@H](C)C(=O)NN	104121624	GXJWHEYYEGEQJT-VIFPVBQESA-N	244.339	-0.587	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H]2CO)c1	113185821	RMHWYMUHCRCBQK-SECBINFHSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H](NC(=O)CCl)C(=O)N1CCOCC1	159170351	VEXZOXONZYSWRZ-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)CCC(=O)NN	161681639	MAJJCAXTXVFYRK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](C)Oc1cc(F)cc(B(O)O)c1	211817339	WGPIOEFRJKNWHS-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
C[C@H](CC(F)(F)F)NC(=O)C(=O)NN	235416022	DDUQQJIAROALMQ-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
O[C@H]1CN(CCBr)C[C@@H]1O	236573351	QTLDNPIAZCBCSA-WDSKDSINSA-N	210.071	-0.581	50	10	BBGE	
CN1CCN(C2=NC(C#N)=CS2(=O)=O)CC1	260216121	WNXAJYJWUMKOOP-UHFFFAOYSA-N	240.288	-0.617	50	10	BBGE	
CCO[C@@H](CNC(=O)NN(C)C)CC(=O)O	300959599	HZWBPUCOPHWZQF-SSDOTTSWSA-N	233.268	-0.358	50	10	BBGE	
C[Si](C)(C)c1cccc(B(O)O)c1O	306204865	XDPSTFAGCCWTRR-UHFFFAOYSA-N	210.114	-0.383	50	10	BBGE	
COC(=O)NN/C(C)=C1/SC(N)=NC1=O	309098277	DOPZCIFTQYRSSN-ONEGZZNKSA-N	230.249	-0.333	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1C[C@@H](C)O	310118689	AQUNJJJEZNIGIY-SCZZXKLOSA-N	243.307	-0.611	50	10	BBGE	
CC(C)(CN1CCC[S@](=O)CC1)C(=O)NN	321932646	VRVAHHLVZDQZHB-INIZCTEOSA-N	247.364	-0.543	50	10	BBGE	
Cn1cc([C@@H]2CCCN2CCC(=O)NN)cn1	380119848	BIGUVXBJDNOCFR-JTQLQIEISA-N	237.307	-0.063	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H]1C	385623481	HNWFAHYHZWVNGI-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1CCCCNC1=O	391580191	WYZRNHRUALMFBF-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
C[C@H]1NC(=O)CC[C@H]1NC(=O)NC(=O)CCl	392869543	JOYHKTXNCJYYDG-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
O=Cc1c(CO)cc(B(O)O)c2sccc12	396337993	ORKPLUXLOCJYDA-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CO[C@@]1(CO)CCN(S(=O)(=O)CCl)C1	401833531	JVOHQBKKVQUAEC-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CCCC1	404988342	QZSAQJMVKBMUBZ-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CN(C)NC(=O)c1csc(NN)n1	575559285	OVRAAXOHMZNJAR-UHFFFAOYSA-N	201.255	-0.365	50	10	BBGE	
CN1CCN(Cc2nnn(C)n2)C[C@H]1CCl	687609778	GWGUPEWQCXIYTF-MRVPVSSYSA-N	244.730	-0.435	50	10	BBGE	
N#CC1(O)CCN(CCC[C@H](O)CO)CC1	692167108	KVMGEVCAWASJDA-JTQLQIEISA-N	228.292	-0.530	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2CCCCO2)n1	694278242	YYEIFOWJBUJKBN-SECBINFHSA-N	224.069	-0.478	50	10	BBGE	
COc1ccc(CCn2cc(B(O)O)cn2)cc1	694487526	MXLNLCITUVCKEM-UHFFFAOYSA-N	246.075	-0.186	50	10	BBGE	
COC[C@@H](CO[C@@H](C)C(=O)NN)OC	695711407	UJYAVOGRUKATFD-BQBZGAKWSA-N	206.242	-0.957	50	10	BBGE	
COC[C@H]1CCCN1[C@H](C)C(=O)NN	696548769	LUJLUGWDNCBRID-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
Cc1cn(Cc2cc(C(=O)NN)no2)c(O)n1	699587055	WTGXJVRBEGBCAL-UHFFFAOYSA-N	237.219	-0.463	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H](CO)C1	700454908	OQQRLXPBIUJOIN-WCBMZHEXSA-N	243.307	-0.896	50	10	BBGE	
CNNC(=O)c1cnc2sccn2c1=O	704680759	DFMCPAQVQDQLAO-UHFFFAOYSA-N	224.245	-0.380	50	10	BBGE	
CCC(O)(CC)CN(C)[C@@H](C)C(=O)NN	706398570	SLDUHKZZKGXCRX-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CN(CCn1cnnc1)C(=O)NC(=O)CCl	707498159	SFSHKIHTMLGLCG-UHFFFAOYSA-N	245.670	-0.315	50	10	BBGE	
OB(O)c1cnn(Cc2ccc3c(c2)CCO3)c1	720761446	NNXAQFHWGYPSFG-UHFFFAOYSA-N	244.059	-0.454	50	10	BBGE	
O=CC1=CC[C](N2C[C@@H](O)[C@@H](CO)C2)S1	725543001	OPQSIEYJIORYIJ-VXNVDRBHSA-N	228.293	-0.019	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)[C@H]1CCCO1	817215805	UKIFJLUTMCJJQL-SSDOTTSWSA-N	230.264	-0.526	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)c2cn(C)nn2)CO1	853382789	JRQUDOTZXFDENG-ZCFIWIBFSA-N	223.236	-0.290	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NCC	900385995	IIZGTGSFJICJNC-LMXCLXGDSA-N	201.226	-0.726	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)c2nnn(C)n2)n1	1136061021	SIBKZEKASXCDKG-UHFFFAOYSA-N	248.250	-0.626	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NNC(=O)N(C)C	1136447881	MBGBSVLOCQWHFB-SREVYHEPSA-N	226.236	-0.267	50	10	BBGE	
C=C(Cl)CNC(=O)c1cccc(B(O)O)c1	1147304502	NWGSSESYJKEGAQ-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc(O)nn1	1163317138	SUKPMSUBWADMNB-LURJTMIESA-N	226.236	-0.860	50	10	BBGE	
CC1(C)C(=O)NC[C@@H]1NS(=O)(=O)CCl	1260939497	ZLCBWAGKJWFVPO-YFKPBYRVSA-N	240.712	-0.373	50	10	BBGE	
CNC(=O)NNC(=O)c1nn(C)cc1C	1597341023	MOSHOUAICXVPQF-UHFFFAOYSA-N	211.225	-0.698	50	10	BBGE	
CN(NC(=O)c1ncccc1N)C(N)=O	1632039189	FNZDXCYIYICBRE-UHFFFAOYSA-N	209.209	-0.681	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1cnsn1	1634277827	IQLYOXZQMYOVHJ-QMMMGPOBSA-N	242.260	-0.764	50	10	BBGE	
O=C(Nc1cnns1)c1cccc(B(O)O)c1	1638719160	HHRMVHUAGRYCHL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@@H]2C[C@@H]21	1877509690	AWSVUJPAAFAGOZ-RQJHMYQMSA-N	214.652	-0.119	50	10	BBGE	
O=C(CCBr)NCC(CO)CO	1880806975	ZOAAGHKICAJIML-UHFFFAOYSA-N	240.097	-0.512	50	10	BBGE	
O=C(CCBr)NC1(CO)COC1	1881118431	NKUJTEZVLBLHJV-UHFFFAOYSA-N	238.081	-0.351	50	10	BBGE	
NC(=O)CNC(=O)[C@H]1C[C@@H](Br)C1	1881367672	YAODPWLLMYKADM-SYDPRGILSA-N	235.081	-0.239	50	10	BBGE	
C#CCNCC(=O)NC[C@H]1C[C@H]1Cl	1883551217	IRRDYHMPMDISHH-HTQZYQBOSA-N	200.669	-0.047	50	10	BBGE	
COC[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883565518	CGGTVXFJGUZZDE-LYFYHCNISA-N	206.673	-0.296	50	10	BBGE	
CS[C@@H](C)C(=O)NCCC#CB(O)O	1886640563	ABYZARPVLVXEET-ZETCQYMHSA-N	215.083	-0.740	50	10	BBGE	
C[C@H](NC(=O)F)C(=O)N1CCOCC1	1887187155	XVVGHTXLNXKTBG-LURJTMIESA-N	204.201	-0.087	50	10	BBGE	
OCC1(CO)CCN1CCOCCCl	1891562885	JRSXCYZTNKEKBB-UHFFFAOYSA-N	223.700	-0.329	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1Cl	1893469090	FMYOXLOCFBLNGQ-RITPCOANSA-N	240.712	-0.592	50	10	BBGE	
NNC(=O)CCOCC1=CCCOC1	1893657176	JWGPZEVWYRKUFH-UHFFFAOYSA-N	200.238	-0.270	50	10	BBGE	
CCn1ccn([C@@H](C)CC(=O)NN)c1=O	1893845747	RUTYUDFVHHBDHS-ZETCQYMHSA-N	212.253	-0.389	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1F	1895382312	URVTWVDLJVSKLN-BDAKNGLRSA-N	223.012	-0.337	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC(F)C2)O1	1896930629	WKYWBSDDBZSGCF-IUCAKERBSA-N	231.271	-0.432	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)S(C)(=O)=O	1900502366	TZTKWTORATYCCG-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
CC[C@@H](OC)C(=O)N1CC[C@](C)(B(O)O)C1	1902521267	GBQMWKRDPSKCED-SCZZXKLOSA-N	229.085	-0.123	50	10	BBGE	
O=C(N[C@H](CCCl)C(=O)O)C1COC1	1903477379	UZPGYNWIQXYDJK-ZCFIWIBFSA-N	221.640	-0.169	50	10	BBGE	
Cc1cnn(C[C@H](C)C(=O)NN)c(=O)c1	1912215423	MGYKIRGWDLVIGA-ZETCQYMHSA-N	210.237	-0.822	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CNCCO2)CC1	1917051394	CKLJVLWXZSMKPU-SNVBAGLBSA-N	221.260	-0.343	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@H]2C1	1928178952	KRPGJVBLSPVQMQ-DTORHVGOSA-N	213.281	-0.665	50	10	BBGE	
COC(=O)[C@H](Cl)CN[C@@H]1COC[C@@H]1OC	1928965092	ITGDMVXYPJZVSQ-PRJMDXOYSA-N	237.683	-0.230	50	10	BBGE	
O=C(O)[C@H](Cl)CN1C[C@@H]2OCCO[C@@H]2C1	1930263377	XVQJOXKAVRJQHE-PRJMDXOYSA-N	235.667	-0.222	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(OCCO)C1	1932101814	CYODRRYPZFKBJV-SSDOTTSWSA-N	204.657	-0.190	50	10	BBGE	
Cn1nnc(C(=O)N2CC(CCCl)C2)n1	1932114358	JUQOVANZJXEHDD-UHFFFAOYSA-N	229.671	-0.089	50	10	BBGE	
CC[C@H](CCNC(=O)C(=O)NN)COC	1932149027	VVQOGMLMDHKYKZ-SSDOTTSWSA-N	217.269	-0.845	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)CCC(=O)NN	1932312387	IKDWTJIFSZYQCP-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](C(N)=O)C1CC1	1932385677	WHJARFFNDYZBLX-XINAWCOVSA-N	204.657	-0.006	50	10	BBGE	
CN(C)c1ccc(CNC(=O)NN)cn1	1935216542	RLZAYHXTBYPSJK-UHFFFAOYSA-N	209.253	-0.180	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	1936082956	GYJQNCMXDKBWCT-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H](C)N(CCO)CCOCC(=O)NN	1936538259	XDMHOXVIUSTFKM-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CN(CC(F)(F)CO)CC(F)(F)C(=O)NN	1938127865	PFPZPSXFUDYQOH-UHFFFAOYSA-N	247.192	-0.829	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@@]2(C(=O)O)C1	1938370658	RQFUBRGXCCFRGA-OIBJUYFYSA-N	227.264	-0.031	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1938376600	SVMYFBCQUMYLTG-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](O)(C(C)C)C1	1945550231	YLEURFJXWPBAMM-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(CCN1C[C@H]2[C@H](O)C[C@H]2C1)C(=O)NN	1946111481	XSNYARYOSAYXIQ-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
Cc1c(CN(C)C[C@H](C)C(=O)NN)cnn1C	1947411668	RWWOAYXDOLEWKM-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
COC[C@]1([C@H](N)[C@@H](O)C#N)CCCCO1	1953064057	OJNIHHNSZTZPQG-AEJSXWLSSA-N	214.265	-0.216	50	10	BBGE	
CCN(CCCl)[C@@H]1CC(=O)NC1=O	1954036877	MCEHHTKCSDOTEE-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@@H]1C[C@@H]1CCl	1955097359	SFQWKQVTTOBUNI-RFZPGFLSSA-N	242.684	-0.196	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H](O)C1	1961137538	SLNNJZRNUUEUAQ-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
O=C1CN(Cc2cncnc2)CC(=O)O1	1975163527	YZRWLXABNGJCEV-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
CN(Cc1ccon1)C[C@H]1C[C@H]1C(=O)NN	1976755581	LCWCQVMKPNFCAK-VXNVDRBHSA-N	224.264	-0.268	50	10	BBGE	
COCC1CC2(CCN2C(=O)C(=O)NN)C1	1976890715	ALUNZPUWCWFADV-UHFFFAOYSA-N	227.264	-0.996	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2CC[C@H]1O2	1980046510	NGXQXOUEMOFHBP-UTINFBMNSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](N)CSCc1c(C(=O)NN)cnn1C	1980594598	UKFVMBZKSVUNEE-LURJTMIESA-N	243.336	-0.396	50	10	BBGE	
C[C@@H](Cl)CN1CCN(c2nnnn2C)CC1	1980784261	NNJCHVHYGUAGNU-MRVPVSSYSA-N	244.730	-0.041	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)c1cnn(C)c1	1980916975	MJHZLSASSIJYBV-APPZFPTMSA-N	223.280	-0.518	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@H]1C[C@@H]2Cl	1981232973	HHGPYANZLSFMAZ-CSMHCCOUSA-N	241.682	-0.099	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2C[C@@H]21	1981413505	HQQHYSYGVAGWFN-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
OB(O)c1cnc(Sc2cccnc2)nc1	1981451331	VCMQCYMATCPDGS-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C)(C)C2)n1	1981469465	STXHKUWAGLDERX-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
CN(C)[C@H]1CC[C@H](N(C)CC(=O)NN)CC1	1983948569	LDOVPAAQNTUPCH-MGCOHNPYSA-N	228.340	-0.219	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@H]1C[C@H](O)C1	1984463243	XYHCVKDOUWTCPP-KYZUINATSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H]1CC[C@@H](CNC(=O)C(=O)NN)C1	1985390883	NZOIJTYYVAQXSF-HTQZYQBOSA-N	229.280	-0.845	50	10	BBGE	
CON(c1ncc(F)cc1B(O)O)C(C)C	1988001275	GSBBXUKFSQCENM-UHFFFAOYSA-N	228.032	-0.323	50	10	BBGE	
C=C(CN1CC[C@@H](c2nncs2)C1)B(O)O	1992144615	CHELTBOCYLZJKL-MRVPVSSYSA-N	239.109	-0.104	50	10	BBGE	
CC(F)(F)C(C)(C)C(=O)NCC#CB(O)O	1992152326	CVWPLEYDXNNDOS-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
Cc1ccn(C[C@H](C)C(=O)NN)c(=O)c1C#N	1997074587	HSHIEHPSLFVACK-QMMMGPOBSA-N	234.259	-0.346	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999847198	MGVCQOLJUGMBHW-NZFPMDFQSA-N	239.319	-0.685	50	10	BBGE	
CO[C@H]1CN[C@H](CN2CCC(O)(C#N)CC2)C1	2002120941	FVQQJGFPHFOBRB-WDEREUQCSA-N	239.319	-0.286	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](N2CCCC2=O)C1	2004406351	FZIRVOCVWHRNSD-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
Cc1nc(N2C[C@H](F)C[C@@H]2C)ncc1B(O)O	2004977296	YVZGNNSMLIYKSN-POYBYMJQSA-N	239.059	-0.598	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCC[C@H]32)n1	2005014956	UAUTUQGTJMMNLK-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
Cc1nc(N2CCO[C@H](C)C2)ccc1B(O)O	2005018502	UZLIZTZOUCUADP-MRVPVSSYSA-N	236.080	-0.705	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1C[C@H](C)C(=O)NN	2010572801	YWDXYNBDEWKSFD-IUCAKERBSA-N	242.323	-0.931	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2016366378	XCIBVNIEFRBJMS-JJMYQHCESA-N	239.319	-0.423	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COCC[C@@H]1C	2019209818	KTNAVSKZKKWRQR-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCC#CB(O)O	2021157212	JAVMBZKAQQNOIM-DBIOUOCHSA-N	235.092	-0.200	50	10	BBGE	
CC(C)[C@H]1C[C@H]1COc1ncncc1B(O)O	2022580221	UAAGDGALEPZPMB-DTWKUNHWSA-N	236.080	-0.173	50	10	BBGE	
CN(CC1(F)CC1)c1ncc(B(O)O)cc1F	2025748864	HEZVSGTVOTVQAP-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
Cc1cc(NC(=O)CC2COC2)ccc1B(O)O	2056492803	BEBBNZYEENCMSX-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
N#Cc1cc(B(O)O)c(C=O)cc1C(F)F	2060236855	ZRLKDRGALMYTBZ-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ccccc1B(O)O	2079008739	MBTDHUFGMZRIMB-VIFPVBQESA-N	246.075	-0.259	50	10	BBGE	
CCN(CCC#N)C(=O)c1ccccc1B(O)O	2079008949	NTPJRYJMPDXPOB-UHFFFAOYSA-N	246.075	-0.258	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1cccc(B(O)O)c1	2079012638	XIELBZIIMMDOIX-NEPJUHHUSA-N	245.087	-0.105	50	10	BBGE	
CS(C)(=O)=NCc1cscc1B(O)O	2209701245	AAXIBWZIIFXOQD-UHFFFAOYSA-N	233.123	-0.345	50	10	BBGE	
C=C(COCC1CC(OC)C1)B(O)O	2209993623	MXYUTJFAINOKMQ-UHFFFAOYSA-N	200.043	-0.004	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)[C@H](C)CN1C	2212071554	RYGKZIFTXCKAKV-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
CO[C@]12CC[C@@H]1CN([C@@H](C)CC(=O)NN)C2	2212352058	YHDZZAGSRKFNMM-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@@H]2C[C@H]21	2212602975	BHYRFVQGKMPNAS-NQMVMOMDSA-N	218.065	-0.028	50	10	BBGE	
CC1(C)CCN(c2cc(B(O)O)ccn2)C1	2212610131	CVLWWWGPHOHPBW-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H]1C[C@@]2(C)O)C(=O)NN	2213357773	ZEDAXMZEAPRMJY-VDDIYKPWSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@H](O)[C@@H]1C	2214803773	ILIGDMLSDCGCOE-RGOKHQFPSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C(=O)N1C	2215776208	LLSMJPYRWQAYDS-HLTSFMKQSA-N	240.307	-0.242	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCCC2)C[C@H]1O	2216883307	IZJXWSFNXCHCQD-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CCCCOCCNc1ncccc1B(O)O	2217175386	IBUXIPORBMGSRT-UHFFFAOYSA-N	238.096	-0.010	50	10	BBGE	
CCC(CC)(CO)Nc1ccc(B(O)O)cn1	2217177198	GOWBYQQCGJBYSU-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccnc(NCc2ccno2)c1F	2217178691	AKUGQDXZMVJSCU-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
COC[C@H]1CC[C@H]1Nc1ncccc1B(O)O	2217196978	WDXJRNHMJGGXTP-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Nc1ccc(B(O)O)cn1	2217198920	IBVRXNJGWBNNLB-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
N[C@@H]1CC12CC(Nc1ncccc1B(O)O)C2	2217200166	RGCBYAIVDZLYNN-PUDKOPFASA-N	233.080	-0.947	50	10	BBGE	
Cc1cnc(CNc2ncc(B(O)O)cn2)o1	2217201436	YINOAQBJLPEVPU-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
OCC1(CCNc2cc(B(O)O)ccn2)CC1	2217204779	OVFYMUXWFRPHMX-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@H]3CC[C@H]32)nc1	2223641730	CTXKPCCESXKTNF-OUAUKWLOSA-N	247.107	-0.686	50	10	BBGE	
CC(C)CN(c1ccc(B(O)O)cn1)C1CNC1	2223679864	VOASJGIPCOYRPO-UHFFFAOYSA-N	249.123	-0.804	50	10	BBGE	
C=CCN(CC(F)(F)C(=O)NN)OC	2241796256	HXBOKTAWCANXPH-UHFFFAOYSA-N	209.196	-0.339	50	10	BBGE	
C#CC(CO)(CO)NC(=O)C[C@@H](C)Cl	2242272420	FNAYZGWZTRWRNY-SSDOTTSWSA-N	219.668	-0.523	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2242762732	XGEBJTWFLTTYPC-VGMNWLOBSA-N	249.694	-0.398	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1occc1B(O)O	2243365457	MTJAANFGROGIMQ-FSPLSTOPSA-N	243.455	-0.684	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1(B(O)O)CC1	2243366197	YNMRPCMOCWRBHH-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)cc1C	2243685326	RROTUDUBOBKTOM-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243753679	YHMGGMXMLOOUIN-WDSKDSINSA-N	229.041	-0.781	50	10	BBGE	
O=S(=O)(C1CCC1)N1CCC(B(O)O)CC1	2244180016	JDICGKARUTWAEU-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cocc1B(O)O	2244206273	UIWTYDZPJZPNNX-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
O=C(C#CB(O)O)N1CC2(C1)CC1(CCC1)C2	2247741598	BXMKWIBONGANKT-UHFFFAOYSA-N	233.076	-0.206	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247753226	CZJQPNVLBVUIFZ-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2247760331	GNRGXTBVUFPFOY-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)cn1C	2247762240	CRCDTTXFONZXEF-VXNVDRBHSA-N	236.080	-0.767	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)[C@H]1C[C@@H](B(O)O)C1	2247788061	YSCKHSFRQJPIII-LPEHRKFASA-N	241.096	-0.218	50	10	BBGE	
C[C@@H](C1CNC1)N(C)C(=O)C1CC(B(O)O)C1	2247790599	ICASWUMSGHOECK-JEUQWKINSA-N	240.112	-0.694	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2CC(B(O)O)C2)C[C@H]1O	2247798529	VETFSRHVIGHYGG-ABIFROTESA-N	241.096	-0.485	50	10	BBGE	
C[C@H](CCCCCO)NC(=O)[C@H]1C[C@H]1B(O)O	2247799084	ZOQJXUVLVHRPPI-KXUCPTDWSA-N	243.112	-0.093	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247810378	XACJLXNVIQZWQH-HORUIINNSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)N1CCOCC12CCCC2	2247851951	MKXPLAKPYCYDLI-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
CC1CN(C(=O)c2cccc(F)c2B(O)O)C1	2247855738	XPQAFYBHOMYNPW-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
O=C(NCCCOC1CC1)[C@H]1C[C@@H](B(O)O)C1	2247859575	NZXZAFRTRRWOAE-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247874980	RFZMDHITVBJWMF-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@]12CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@]1(CO)C2	2247895662	BFXNKDFIUZKQQK-HZQMYPQZSA-N	239.080	-0.920	50	10	BBGE	
CCN1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897142	OPDMJKGLCMPJTG-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](CO)C2(CC2)C1	2247898485	DYXWECAFIYODNX-DJLDLDEBSA-N	239.080	-0.920	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2248430284	WVHKNWLGACXVFJ-VIFPVBQESA-N	231.060	-0.433	50	10	BBGE	
C#CCC(=O)Nc1ccc(OC)cc1B(O)O	2248432908	CAXVVUYFQIIABJ-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248579258	YZDCFGVKQDXDKI-BWZBUEFSSA-N	241.052	-0.615	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1COC1	2249014641	WHXVEWAHLXYGRX-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
O=C(CCOCC(F)F)NCCC#CB(O)O	2250001833	CHIGHYCXPMXVOA-UHFFFAOYSA-N	249.022	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@@H](C)O)C(C)(C)C	2250617463	MTGXQMXAXKRPJR-MRVPVSSYSA-N	245.323	-0.365	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1ccc(B(O)O)o1	2255461702	LMPRXRZVPNQPPJ-GPPXWSAVSA-N	247.059	-0.656	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1occc1B(O)O	2255482304	SOCGEWZMLAKICG-MBTKJCJQSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C[C@H]3C[C@H]3C2)c1	2255509087	HJVUHXCHEHMCAT-PHIMTYICSA-N	245.087	-0.233	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ccncc1B(O)O	2255732867	BVSXVDSZBSGQCT-JVUFJMBOSA-N	246.075	-0.710	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1cc(B(O)O)co1	2258139948	ZWHSRHBJXSDSMC-IONNQARKSA-N	249.075	-0.170	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1N(C)C	2298371529	NNBGUNSNSRKZGK-JLIMGVALSA-N	240.112	-0.742	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375770	YXNKVIXAIQDDRV-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376219	NJBGGXHVCFBDQL-ZBGLXGBJSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2OCC[C@@H]2C1	2298376689	IZEKEENCEAHJLY-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)C1N	2298377174	HANWBXBQKQZZPP-MAUMQABQSA-N	240.112	-0.709	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	2299977721	BAZJIERLXWMZKT-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H](O)[C@H](F)C1	2300374805	VGZLPVLODWONCP-SGIHWFKDSA-N	245.298	-0.593	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N[C@@H]2CCOC2)C1	2303167213	LZLGVYUUBFVCNO-SCZZXKLOSA-N	242.084	-0.576	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303848972	FSHVZRMUMDUABY-IMTBSYHQSA-N	242.059	-0.595	50	10	BBGE	
CCCNCCOc1cc(B(O)O)c(F)cn1	2303862396	YVLHEBVIXQCMNZ-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1n[nH]cc1B(O)O	2312849837	YJZJNGUHHXTMGG-FJXKBIBVSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1cocc1B(O)O	2313081377	JUMLKVPSSKBZQE-FYBVGQRMSA-N	249.075	-0.122	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)C[C@H]2CN[C@H]1C2	2317203885	NTKKEOICLKOGSF-PTOFAABTSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1N1CCN[C@H]2CCC[C@@H]21	2319236388	BJNFSYUXCLSXJY-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
Cc1ncc(CN(C)c2ncncc2B(O)O)o1	2319981263	QYYSYBSPZDZLJG-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
NNC(=O)CCC(=O)NCc1ccco1	58854393	GVUTWCRTOJKORC-UHFFFAOYSA-N	211.221	-0.334	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1[C@@H](C)N	63194714	SNLHDWBVMBAYND-PSASIEDQSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCO2)C1	66055519	ZEUWVSVVLFHIQY-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)CCCCCn1cnc([N+](=O)[O-])n1	71292173	BPCCIPXQUVMSQI-UHFFFAOYSA-N	242.239	-0.263	50	10	BBGE	
N[C@@H](C(=O)O)[C@H](Br)C(=O)O	75621035	MCPPBWSVIISNCP-NHYDCYSISA-N	211.999	-0.754	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)[C@H](C)CO1	82467619	BZUFJQRVAXXRAG-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)[C@@H](C)COC	110594870	LWYUHAKGMGXVTH-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CNNC(=O)CCCCCNC(C)=O	202465527	RGUOIVSPAJDDJS-UHFFFAOYSA-N	201.270	-0.067	50	10	BBGE	
O=C(CO)NNC(=O)OCc1ccccc1	224183335	DSPWLZULADDPRN-UHFFFAOYSA-N	224.216	-0.064	50	10	BBGE	
NC(=O)[C@H]1CCCN(C[C@@H](O)CCl)C1	225626811	BXOCQZQKEIUNFL-YUMQZZPRSA-N	220.700	-0.217	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@@H](C)CCl	229036868	AMECHYCPOCXGBF-BQBZGAKWSA-N	209.673	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)C[C@@H]1C	235651077	MHQQJTQLAGIWPM-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
C[C@]1(O)CCN(Cc2cc(C(=O)NN)co2)C1	235758588	JCMWJYNYZSFVGN-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
C=C[C@H](C)NC(=S)NNC(=O)NC	238348541	DRGHDDWSGULSEP-YFKPBYRVSA-N	202.283	-0.131	50	10	BBGE	
Cn1nnnc1N[C@H]1COC[C@@H]1Cl	306278763	QMGZBALOHIAIPZ-WHFBIAKZSA-N	203.633	-0.372	50	10	BBGE	
OC[C@H](Br)[C@@H]1O[C@H]1[C@H]1CO1	306320110	IUTRBRPRCFYGAG-FSIIMWSLSA-N	209.039	-0.092	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@](O)(C(N)=O)C1	306780638	DGABVQCKEGJJRO-YLWLKBPMSA-N	220.656	-0.938	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1cnccc1=O	314626518	QEZYIHQRGFDRPA-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CNC(=O)C[C@@H](C)NC(=O)NC(=O)[C@H](C)Cl	322747459	BQKFJJQWAHOSCC-RITPCOANSA-N	249.698	-0.036	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(CN(C)C)C1	382350314	PGEQHMFJODSFGD-SNVBAGLBSA-N	228.340	-0.506	50	10	BBGE	
CC(=O)[C@H](Cl)c1c(O)cccc1B(O)O	396021828	LFWWMCHZSVEIIT-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
O=C(CCCl)c1cccc(CO)c1B(O)O	396044122	XPPQWSMLKISXOH-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1CC(=O)O	396136321	YDNDUQXGHOHYHK-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
CCOC(=O)Nc1cccc(B(O)O)n1	405129229	FGGGDEUCBUHFJW-UHFFFAOYSA-N	209.998	-0.670	50	10	BBGE	
NS(=O)(=O)N1CCOC[C@H](Cl)C1	616662571	BUBOSOZLFSRDCB-RXMQYKEDSA-N	214.674	-0.871	50	10	BBGE	
C[C@H](C(=O)N1CCC(O)(C#N)CC1)n1cncn1	692148318	LZCDMGXYQAZAIA-SECBINFHSA-N	249.274	-0.284	50	10	BBGE	
C[C@](O)(CN1CCC(O)(C#N)CC1)C(=O)O	692167311	NBWWEWYLZAQLJD-VIFPVBQESA-N	228.248	-0.828	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(COC2)C1	697133828	QMABOFJMWZHONH-MRVPVSSYSA-N	213.281	-0.667	50	10	BBGE	
CC(C)(C)c1nc(C(=O)NNC(N)=S)n[nH]1	700865046	CYRXDVZPJWEBNJ-UHFFFAOYSA-N	242.308	-0.420	50	10	BBGE	
CN1C[C@H]2CN(CCCC(=O)NN)C[C@]2(C)C1	702404923	IAJVLGJUHZRTDX-JQWIXIFHSA-N	240.351	-0.360	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)N1C	703468896	GZIJJXKCHFLGAH-NKWVEPMBSA-N	215.253	-0.873	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)(C)O)C(C)C	708526325	JMLHTYDJTHFEGX-VIFPVBQESA-N	247.339	-0.527	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2COCC[C@@H]2Cl)n1	710951210	IWMOORIYQMHCKQ-WDSKDSINSA-N	245.670	-0.664	50	10	BBGE	
C[C@H](CN1C[C@@H]2COC[C@H]2C1)C(=O)NN	718254257	YCZCAYNHNGBTBT-IWSPIJDZSA-N	213.281	-0.809	50	10	BBGE	
O=[N+]([O-])[C@H]1C=CC([C@@H]2NN=C(CCl)O2)=[S+]1	725562546	PZZWZXCOIGMLLH-RNFRBKRXSA-N	248.671	-0.088	50	10	BBGE	
NS(=O)(=O)C[C@H]1CCN(C(=O)CCl)C1	725704109	XPUJSHILOVYDNU-LURJTMIESA-N	240.712	-0.638	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NN(C)[C@@H](C)CO	823907702	OQPXUXDZAZSHKW-WPRPVWTQSA-N	243.307	-0.659	50	10	BBGE	
CCO[C@H](C(=O)NNC(=O)CO)C(C)C	863903534	KIQWLBBZTHLJKJ-QMMMGPOBSA-N	218.253	-0.813	50	10	BBGE	
CCC(C)(C)C(=O)C(=O)NNC(=O)C(C)(C)O	907628039	UYTWEDJAXNPADO-UHFFFAOYSA-N	244.291	-0.090	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)NNC(=O)NC1CC1	930720665	SFXJMVDIKUBOSP-XPUUQOCRSA-N	243.263	-0.717	50	10	BBGE	
CC(=O)NNC(=O)c1cccc2nc(CO)[nH]c12	1136045959	KRKNMYZXURMFKF-UHFFFAOYSA-N	248.242	-0.164	50	10	BBGE	
O=C(CO)NNC(=O)NCCc1cccs1	1442294376	FXCBXDGRNASXQE-UHFFFAOYSA-N	243.288	-0.387	50	10	BBGE	
C=CCNC(=S)NNC(=O)Cc1cnc[nH]1	1587159336	SZOXVBDPJPRSMT-UHFFFAOYSA-N	239.304	-0.367	50	10	BBGE	
C#CCCCC(=O)NNC(=O)CCC(N)=O	1645281129	GNMSDEYLRXVIJX-UHFFFAOYSA-N	225.248	-0.797	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883645540	PTHIZCVTXADXGG-JRTVQGFMSA-N	207.657	-0.528	50	10	BBGE	
C=C[C@H](CCl)NC(=O)CS(C)(=O)=O	1884009199	HYKXUXHOKKQFIH-ZCFIWIBFSA-N	225.697	-0.059	50	10	BBGE	
CC(C)OC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1894261892	IOCAVQKSJCSLPX-WCBMZHEXSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	1894287679	LHMRMFSNUQSFQM-DMAGGPPCSA-N	223.276	-0.378	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](C(F)F)CC1=O	1895300592	OVYGCPJFABSUEG-RITPCOANSA-N	235.234	-0.132	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@@H]1F	1895382394	VONOOZGXTMECOP-RQJHMYQMSA-N	224.000	-0.942	50	10	BBGE	
C=C(Cl)CONC(=O)c1occc1B(O)O	1899440074	PBRBUDKMCNZXQZ-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@H](F)C1	1900258247	JKYAZLROBUAKRZ-DJLDLDEBSA-N	233.287	-0.329	50	10	BBGE	
O=Cc1ccc(-n2ccnc2)cc1B(O)O	1901237798	OYRPMINAYQTOIP-UHFFFAOYSA-N	216.005	-0.635	50	10	BBGE	
C[C@@H](COC[C@@]1(C)COCCO1)C(=O)NN	1901441059	OMASFBSMFYJBBO-WCBMZHEXSA-N	232.280	-0.566	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC([S@@](C)=O)C1	1901766707	YRLQWUVFTZDNEX-VPTHRUTESA-N	247.364	-0.402	50	10	BBGE	
O=C(C[C@H]1CNC[C@@H]1O)NC1CC(Cl)C1	1909250404	JHURADIMUYCVFL-KRTGUUSXSA-N	232.711	-0.157	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC(CF)C2)O1	1909808183	LCSJSTHCRCUWKL-ZJUUUORDSA-N	245.298	-0.185	50	10	BBGE	
CC[C@H]1CCOCCN1CC(=O)NN	1913640550	YGVQRHOTDHCWRM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COC1CC(N(C)CCOCC(=O)NN)C1	1914823056	GTWRBAJGZJNHMS-UHFFFAOYSA-N	231.296	-0.898	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC(=O)CCCl)C1	1928757125	AGRGMDOEKZADQS-RNFRBKRXSA-N	206.673	-0.594	50	10	BBGE	
O=C1CCN1C[C@@H](O)CBr	1928999802	QPAMXCLUWIIBDZ-YFKPBYRVSA-N	208.055	-0.026	50	10	BBGE	
CC1CCN(C(=O)NNCCO)CC1	1929841625	IUCXMZUGODTKCM-UHFFFAOYSA-N	201.270	-0.075	50	10	BBGE	
C[C@@H]1CCS[C@@H]1C(=O)NCB(O)O	1930909834	ZQBDMBDDKYTOQF-RITPCOANSA-N	203.072	-0.744	50	10	BBGE	
CO[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1931259966	CCZUGIJIULFUFP-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC12CCC2	1934048192	YMSHXPOSGDUIHR-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
CC1(C)CC(CCNC(=O)C(=O)NN)C1	1934514362	VOEXKKDZTKWKEE-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
CCOc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1936084428	NITUWOZZSKHONF-IONNQARKSA-N	224.264	-0.092	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H](C)CC(N)=O	1938355563	BALWCTGCUFPZDG-GJMOJQLCSA-N	230.312	-0.803	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]2(CCO2)C1	1938677973	YQPCEMUJKLTFEL-QXEWZRGKSA-N	227.308	-0.134	50	10	BBGE	
CCN(C)CCOc1cnc(C)c(B(O)O)c1	1943989097	LWHDFFGBWJDGNS-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
N#Cc1ccc(OCC(=O)NNCCO)cc1	1944220912	YPBGYENTLNOCGT-UHFFFAOYSA-N	235.243	-0.450	50	10	BBGE	
CC1(C)C[C@H](CO)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1945906042	RKYDOZJYHLZIFL-BBBLOLIVSA-N	241.335	-0.295	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1946257235	OLORKRIXMPUVGB-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@H](COC)C(=O)NN)C1	1948374914	OWQHGGQTVYDTNV-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CCCN(CC(N)=O)C[C@@H](O)CCl	1954820300	FRDZETZVTAAYHI-ZETCQYMHSA-N	208.689	-0.217	50	10	BBGE	
C[C@@H](CO)N1CCN(C(=O)CCl)CC1	1956728241	IFRWWBRKTBLBPT-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
CC1(C)CSCCN1C(=O)C(=O)NN	1956816414	WZYVTQFADSMEHD-UHFFFAOYSA-N	217.294	-0.670	50	10	BBGE	
NNC(=O)CCN1C(=O)CC12CCCC2	1958181241	KBMCGAPIRUSQPS-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2CC2)n1	1961696135	NAQJVXMPIVEJEK-UHFFFAOYSA-N	208.026	-0.746	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ccc(B(O)O)cn1	1961776084	AZMZQNAVIWKFTG-IONNQARKSA-N	206.054	-0.394	50	10	BBGE	
Cc1nccnc1C(=O)N1CCC(B(O)O)CC1	1964499867	CUYFWRYLLZHKBF-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2[C@@H](C)C(=O)NN	1975083282	BJKHWRGJMJPIJT-RBXMUDONSA-N	213.281	-0.526	50	10	BBGE	
ClC[C@H]1CO[C@H](CNCCn2cnnn2)C1	1975558646	YGZLKRJCEIUEEN-IUCAKERBSA-N	245.714	-0.093	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1[C@H]2CC[C@H]12	1976612754	OGJHSDOFYGHPIS-WHFBIAKZSA-N	238.077	-0.583	50	10	BBGE	
CON(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCOC1	1978750653	OOYPDLRGIVPRQL-YIZRAAEISA-N	229.280	-0.735	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(n2cnnc2)C1	1980780745	XMYSMONSLFSQIS-UHFFFAOYSA-N	243.654	-0.390	50	10	BBGE	
C[S@@](=O)C1CN(CCC(C)(C)C(=O)NN)C1	1981207299	BSFOSBRQJZPAMJ-MRXNPFEDSA-N	247.364	-0.545	50	10	BBGE	
C[C@H]1CC[C@H](C)N1c1ncncc1B(O)O	1981414593	UCCROOPKILTOPP-YUMQZZPRSA-N	221.069	-0.466	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)CCS1	1981424237	QITVFYMRQSVGNM-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CN(C)CCCN(C)c1nc(B(O)O)cs1	1981473549	ZTJDGORYLLTEJH-UHFFFAOYSA-N	243.141	-0.789	50	10	BBGE	
CN(C[C@@](C)(F)C(C)(C)F)C(=O)C(=O)NN	1981656948	LJCWCHOJFKLMNJ-SECBINFHSA-N	237.250	-0.089	50	10	BBGE	
C=CC=CCCn1cc(B(O)O)ccc1=O	1984100889	CTTAAXMZLOTYDD-UHFFFAOYSA-N	219.049	-0.340	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ncc(B(O)O)s1	1984667251	NJBZFTSTPAYXSM-RXMQYKEDSA-N	244.081	-0.814	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC(C)(C)C(=O)NN	1985572257	QNOWSXVOAXRXNL-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1CCN1C)CC(F)(F)C(=O)NN	1987092002	JROOLNOKQWVFNP-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@@H]2C1	1988002663	ABAWMPPAKVCUEQ-RNFRBKRXSA-N	222.028	-0.643	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	1990772006	FESTZJOPSMZIHD-RKDXNWHRSA-N	229.280	-0.737	50	10	BBGE	
C=C(CN1CCC[C@H](CN(C)C)C1)B(O)O	1992166861	ABNJDJWEHWGNJT-LLVKDONJSA-N	226.129	-0.172	50	10	BBGE	
CC1(C)[C@H](O)CN1CCCCCC(=O)NN	1993463824	IOHHSLCUIWWPFF-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1ccc(OCCC2COC2)cc1F	1998051070	PVCJPUGIQQSYRX-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOCC2(CC2)C1	2004238674	RINTYHBEZKPSSN-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](N(C)c1ncc(B(O)O)cn1)C1(C)CC1	2004920510	KQJVHSOCEZPANK-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CN(Cc1cncs1)c1ncccc1B(O)O	2004936070	UJUBYDYDLIAAGO-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](F)[C@H](F)C1	2005013963	DQUPBTCDSTWTOL-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H](C)[C@H]2C)n1	2005017405	DUMDQXQKGPDAQX-HTRCEHHLSA-N	235.096	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C(=O)N(C)C)C1	2008307906	KRLOCVDNIVLHQL-JGVFFNPUSA-N	242.323	-0.979	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2C[C@H]3C[C@H]3C2)O1	2018243258	QZMCBQAFPZKUDP-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1C[C@H]2C[C@@H]2C1	2020062268	PNHJCGRTWQFKOK-NQMVMOMDSA-N	236.080	-0.252	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H]2[C@@H]1CO	2021739779	NSHMAXURUPTJEP-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cnc2c(N)ncnc21	2026923392	ALVWEFRDWOHRTJ-PHDIDXHHSA-N	249.278	-0.405	50	10	BBGE	
Cc1nc(N(C)c2cnn(C)c2)ccc1B(O)O	2052625186	WVIZZYHPWJYIFJ-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
CCOc1ccc(B(O)O)c(C=O)c1C	2060141777	SALBXAVQDXQHAD-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=S(=O)(CCCl)NCC#CCCO	2209148306	BGGPKKKARPMEDZ-UHFFFAOYSA-N	225.697	-0.470	50	10	BBGE	
O=C1CN(C[C@@H]2COC3CC2C3)CC(=O)O1	2210727999	YQIRZVXEWYNOAY-QJAFJHJLSA-N	225.244	-0.203	50	10	BBGE	
NNC(=O)C1(CN2CCOC2=O)CCCC1	2212442454	JPIOTILDHNZAOY-UHFFFAOYSA-N	227.264	-0.011	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1cc(B(O)O)ccn1	2212607508	KTICAPMJBCAOTI-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
C=C(C)CN(CC)c1ncc(B(O)O)cn1	2212613599	XAYKFQTVVQDLAF-UHFFFAOYSA-N	221.069	-0.441	50	10	BBGE	
CC1(Nc2ncccc2B(O)O)CC(O)C1	2212614908	IDRIYPGNNLFCAH-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
N[C@@H](COc1ncccc1B(O)O)C1CCC1	2217171656	FNBCQUCFQNYBLK-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(N[C@H](C)C[C@@H](C)O)cc1B(O)O	2217179985	PUBYWYQNRZLUNV-RKDXNWHRSA-N	238.096	-0.359	50	10	BBGE	
CC[C@@]1(Nc2ccc(B(O)O)cn2)CCNC1	2217180078	FBJBTSHTHYVLJR-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
C=CCC1(Nc2ccc(B(O)O)cn2)CNC1	2217200960	WHCJSISAMXKLIP-UHFFFAOYSA-N	233.080	-0.909	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1cc(B(O)O)ccn1	2217201548	YQEZZTKKJVKRCM-LLVKDONJSA-N	230.076	-0.391	50	10	BBGE	
C[C@H](CC(F)F)Cn1cc(B(O)O)cnc1=O	2217403905	IEAYUUKKONGPSG-ZCFIWIBFSA-N	246.022	-0.786	50	10	BBGE	
CCCC1(Nc2cc(B(O)O)c(C)cn2)CNC1	2223650750	QKEPWWAENPJVLW-UHFFFAOYSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccc(OC2([C@@H]3CCCN3)CC2)nc1	2223652506	DWCOOISMSRRWBS-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
CCc1ocnc1CNc1ncc(B(O)O)cn1	2223654165	XTXFSGFYODVBLB-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
N[C@H]1CC[C@@H](CCNc2ncccc2B(O)O)C1	2223671883	BQQKYIGMNYRJIE-UWVGGRQHSA-N	249.123	-0.309	50	10	BBGE	
C[C@H](Cc1ccco1)Nc1ncc(B(O)O)cn1	2223679851	VJOVLJQQGHRUMP-MRVPVSSYSA-N	247.063	-0.208	50	10	BBGE	
CSCCCN(C)C(=O)C#CB(O)O	2241468312	LIYKKCCEAMOQKN-UHFFFAOYSA-N	215.083	-0.787	50	10	BBGE	
CONC(=O)c1scc(B(O)O)c1C	2241479826	FUWJFKBZAZPJFM-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)[C@H]1C	2242163324	RKWISQXIXQLCKB-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
CCC[C@]1(NC(=O)NN)CCNC1=O	2242248136	JGUNNSNMIMLCAQ-QMMMGPOBSA-N	200.242	-0.782	50	10	BBGE	
C[C@@H]1COCCN1C(=O)C1(B(O)O)CCC1	2243347567	NWQWVHOYXZGUOE-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
COCC[C@H](C)CNC(=O)C1(B(O)O)CC1	2243363935	OPEUZEWNLFWBMW-QMMMGPOBSA-N	229.085	-0.218	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2N1C(=O)C1(B(O)O)CC1	2243364064	QHPQUMSZSMKNPD-RNFRBKRXSA-N	223.037	-0.469	50	10	BBGE	
C[C@H](N(C)C(=O)C1(B(O)O)CC1)C(C)(C)O	2243365266	KIHRNACGESRNFG-ZETCQYMHSA-N	229.085	-0.389	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@H]1C[C@H]1B(O)O)OC	2243390781	BEIFRWYAVRYRGF-QXFUBDJGSA-N	229.085	-0.219	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n[nH]1	2243391444	KQLGPPVIBZPGOZ-IZLXSQMJSA-N	224.029	-0.695	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1C	2243392272	SNVKMXOECCKSEF-VGMNWLOBSA-N	226.085	-0.988	50	10	BBGE	
CC[C@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396093	HGSLDLWUYSOPDV-NQMVMOMDSA-N	229.085	-0.483	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397310	YTFAVJIPDALGHP-OYNCUSHFSA-N	229.085	-0.628	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)sn1	2243398167	NPOHAAKTMFQWAM-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)C1(B(O)O)CC1	2243408335	LJVLHVHNBNLLNF-HTQZYQBOSA-N	226.085	-0.811	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H]2C[C@@]2(C)C1)B(O)O	2243412810	UBYOHMMYMBUMGO-IUCAKERBSA-N	245.109	-0.774	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C1(F)CC1	2247732501	GPIQQYBUZODYIT-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
CC1(C)CCCN(C(=O)C#CB(O)O)[C@@H]1CO	2247743607	GPYKICXMHCDWIS-SECBINFHSA-N	239.080	-0.989	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1occc1B(O)O	2247751187	UNMACZJYAJPBTO-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NCCCF	2247752257	LYPMARNZCHSWRZ-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)C1CC1	2247770539	PQVKDXVDYRCZGM-ZETCQYMHSA-N	234.064	-0.710	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1c[nH]nc1B(O)O	2247780399	BFUGDFFMNPRNDU-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)C1(C)CCC1	2247785707	PKLYLBFKLDMZLT-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247791063	LANGQYLIASFUKG-ZYUZMQFOSA-N	240.112	-0.375	50	10	BBGE	
CC1(N)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247797381	IXHSQFNSGIKLDI-KYZUINATSA-N	240.112	-0.421	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOCC2(CC2)C1	2247803339	AOHUQKWNDBYBOC-RKDXNWHRSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)C1CC(B(O)O)C1	2247803386	ATOQRKYBZFUIRK-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247809558	QCALSOZGIFJLCJ-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2nc[nH]c2C1	2247809653	QJNQRVCHDFGIFF-BQBZGAKWSA-N	235.052	-0.843	50	10	BBGE	
CC1(C)C[C@H](O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247859028	JTPMMVQCOKGDNL-CIUDSAMLSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](CNC1)C2)[C@H]1C[C@H]1B(O)O	2247859701	OFNDJOBUOKJIQY-PKIKSRDPSA-N	238.096	-0.892	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2247868399	TUOPFNLNZQPJCK-ZETCQYMHSA-N	235.048	-0.591	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)C(=O)C1(B(O)O)CC1	2247878154	LVPNFVZDTXYWKH-SCZZXKLOSA-N	239.080	-0.512	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878292	MYUNSFMBZFSFKN-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)O1	2247893448	RYJSHSPEMMFYOL-BQKDNTBBSA-N	241.096	-0.125	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)[C@H](C)O	2248396488	ZVUWAUUQAUMRLJ-ZETCQYMHSA-N	237.064	-0.752	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2248585731	PTPGDCOOGPEVCC-XUTVFYLZSA-N	241.052	-0.781	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1ccncc1B(O)O	2248687531	DNWLHHCBECBUAR-BDAKNGLRSA-N	232.092	-0.004	50	10	BBGE	
O=C([C@H]1[C@H]2COC[C@H]21)N1CCC(B(O)O)CC1	2249379035	SNJAYLBWPCCNRD-ILWJIGKKSA-N	239.080	-0.656	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NC1CC1	2249384381	KWTTUFNXJRRFJW-UHFFFAOYSA-N	237.039	-0.294	50	10	BBGE	
CCC1(F)CN(C(=O)c2cocc2B(O)O)C1	2249418049	OEWRDOWDENFSKR-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@@H]1F	2249419458	HLFRBNDOONPRBA-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCN1	2249875013	WONMCHPHTTZERW-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ccncc1B(O)O	2255449000	JMLACPZOGJUYOF-GZMMTYOYSA-N	248.091	-0.368	50	10	BBGE	
Cc1cncc(NC(=O)c2ccc(B(O)O)o2)c1	2255468168	WYFAMDRUWJXELJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(c2cn[nH]c2)CC1	2255468198	XIVRWUZEAREAKM-UHFFFAOYSA-N	247.063	-0.869	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255476979	SNRBUZFOTMHRHZ-JTQLQIEISA-N	248.091	-0.077	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)cn2CC)CC1	2255514200	FGPHGBLPLHOOMG-UHFFFAOYSA-N	248.091	-0.364	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@@H]2CCC[C@@H]21	2255579451	ROSYFFCNDRQPAH-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2255679828	JKEIAVHCRKMECW-SNVBAGLBSA-N	248.091	-0.528	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)cc2O)[C@@H]1C	2255952704	XFGFNPIDGSQUBW-PHBYFZBNSA-N	249.075	-0.544	50	10	BBGE	
OB(O)c1cnc(OCC#CC2CCCC2)nc1	2261117030	SYDNZBNZBWKMDU-UHFFFAOYSA-N	246.075	-0.271	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC[C@@H]3C[C@@H]32)c1	2261370300	QSOHUTWZOXMURE-KOLCDFICSA-N	247.107	-0.733	50	10	BBGE	
N[C@H]1[C@@H]2CC[C@H]1N(C(=O)C1(B(O)O)CCC1)C2	2298367999	HILCFYPAJYQPKX-HLTSFMKQSA-N	238.096	-0.668	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CO2)[C@H]1C[C@H]1B(O)O	2298370433	YJLDWBCHSKIPMW-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@H]1CCCCCO1)[C@@H]1C[C@H]1B(O)O	2298377654	YOGPUEIAUSHLOO-OPRDCNLKSA-N	241.096	-0.075	50	10	BBGE	
O=Cc1ccc(O[C@H]2CC2(F)F)cc1B(O)O	2301420675	JZIYDZWZRAYJSH-VIFPVBQESA-N	241.986	-0.035	50	10	BBGE	
CC(C)N(CC(N)=O)[C@@H](C)CCCC(=O)NN	2302060703	PNGRYSDAQZQBTD-VIFPVBQESA-N	244.339	-0.269	50	10	BBGE	
C=C[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303834862	MXPLUZBJMWXGDB-QMMMGPOBSA-N	236.055	-0.087	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)C(=O)c2ccccc21	2308072829	SQFZAPSYTNIAGX-SSDOTTSWSA-N	247.254	-0.016	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCC[C@H]1C(N)=O	36906240	UIPRUZIUABCDNC-WDSKDSINSA-N	247.682	-0.200	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C1CCCC1	82470089	YACDCARWMNGOSR-JTQLQIEISA-N	229.324	-0.008	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCNC(=O)[C@@H]1C	82476170	FDFADVNCMYBZIK-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
CN1CCN(CCCC(=O)NN)CC1(C)C	82485349	JTTOKXJDGQZZDI-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CN(C)CC1CCOCC1)C(=O)NN	82545691	PPTXBXLAQPEHEB-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](Oc1cccc(C(N)=O)c1)C(=O)NN	110560169	XZXXEDCNFAPFPY-SECBINFHSA-N	237.259	-0.067	50	10	BBGE	
CN(C)CCN(C)Cc1ccc(B(O)O)cc1	199435143	HLPJZGFKODMELE-UHFFFAOYSA-N	236.124	-0.640	50	10	BBGE	
COC(=O)[C@H](O)[C@@H]1C[C@H](Cl)C(=O)O1	213315480	SUFXXMJBALNFME-VAYJURFESA-N	208.597	-0.557	50	10	BBGE	
Cn1ccc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)n1	236113240	HYZHYDXPJLBOCG-NTSWFWBYSA-N	213.624	-0.233	50	10	BBGE	
CCOC(=O)[C@@H](C)N(NC(N)=O)C(C)=O	238296229	XSGYIBGTFONIME-RXMQYKEDSA-N	217.225	-0.630	50	10	BBGE	
Cn1cc(-c2ccc(B(O)O)cc2)cn1	238510319	GDKODEQNIXNZDV-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
N#CC1=C(O)Nc2c(nc(N)[nH]c2=O)N1	238604369	ZAXDRSIJFQBRIC-UHFFFAOYSA-N	206.165	-0.560	50	10	BBGE	
OB(O)c1c(C2CC2)nc2ccccn12	238639848	FDVHOGQUCMQIKJ-UHFFFAOYSA-N	202.022	-0.109	50	10	BBGE	
O=C(O)C[C@H](Cl)[C@@H]1NC(=O)NC1=O	238644161	YZIARTBNSQTGFS-OKKQSCSOSA-N	206.585	-0.724	50	10	BBGE	
C[C@@H](CN1CCC[C@H](CCO)C1)C(=O)NN	300229440	UQJNUYGMKZRTLM-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)[C@H](C)C1	300909648	OPEJOZIOVBYEKE-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H]1CCOC1	308979081	DDPZOBPVGUOAMX-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1nncn1C	310235551	ATNNEUTUJRBBRU-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
Cl[C@@H]1COC[C@H]1NCCn1cncn1	323405042	VANMBRGPPUOIFC-HTQZYQBOSA-N	216.672	-0.126	50	10	BBGE	
Cn1ncc(C=NNC(=O)C(C)(C)O)c1N	378850993	FKHXISFAHRSTBX-UHFFFAOYSA-N	225.252	-0.777	50	10	BBGE	
COC1(C)CN([C@H](C)[C@@H](C)C(=O)NN)C1	382595243	FIODFJLTPQUUTQ-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
Nc1cc2cc(C(=O)O)cc(B(O)O)c2s1	396240217	KJHSHUKWESCHFO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](CO)C1	398786200	DWQOCTSYKDBDGW-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
Cn1cc(C(=O)N2CCOC[C@H](Cl)C2)nn1	399978890	WEILIZCKWJZSKR-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
CO[C@@]1(CO)CCCN([C@@H](C)CC(=O)NN)C1	402882324	ZWJLZOBSFFVWDP-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cccc(CNC[C@H]2CCC[C@@H]2O)c1	585027749	ZGKKMFKMYRKQFK-YPMHNXCESA-N	249.119	-0.383	50	10	BBGE	
OCC1(CO)CCN(C[C@H](O)CCl)C1	694667957	VKAVOSQEFUNEQK-MRVPVSSYSA-N	223.700	-0.737	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCCNC(=O)C1	695104392	QRNPLFIIGIPLFD-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](Cl)CN(C)Cc1nnnn1C	697723587	AFGHQYYRLULCDR-SSDOTTSWSA-N	233.703	-0.104	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N2CCCC2)C1	700523547	XQMCHHPVQITOEP-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
Cn1ccnc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703474204	JTGWJIXXIDOKKX-YUMQZZPRSA-N	235.243	-0.164	50	10	BBGE	
OC[C@@H]1CN(CCBr)C[C@H]1CO	705325032	UIFXXLMAZBNHNX-YUMQZZPRSA-N	238.125	-0.086	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@H]2C)c1	706814335	HYBIGDYROAGLDJ-SECBINFHSA-N	235.092	-0.031	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)CCCl	707482740	SBZVIUWUOVWTCU-UHFFFAOYSA-N	217.660	-0.203	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1COCC[C@H]1O	725628243	USZIOSOHGCSMGF-DSYKOEDSSA-N	207.657	-0.120	50	10	BBGE	
CCN1CC(CN(C)[C@H](C)[C@@H](C)C(=O)NN)C1	822037731	VTCJIYWRPVOEFE-NXEZZACHSA-N	242.367	-0.116	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)c1ccc[nH]1	823937748	ICMFVGZTSGJLTL-SECBINFHSA-N	237.259	-0.063	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846386656	OPCHRAFLGAJSTA-FKSUSPILSA-N	228.248	-0.918	50	10	BBGE	
CCNC(=O)NNC(=O)c1[nH]cnc1CC	906418574	ZWEKIHUOSJAZTL-UHFFFAOYSA-N	225.252	-0.064	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1CC[C@H]1C(=O)OC	1299917237	SUCIPUSSSPEEFM-DTWKUNHWSA-N	244.291	-0.469	50	10	BBGE	
CC(=NNC(=O)c1ncon1)[C@@H]1COCCO1	1345054585	QMJKWUVTEKPZQK-ZETCQYMHSA-N	240.219	-0.409	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1440724883	YZZFOIWNGTZVOF-RNJXMRFFSA-N	210.233	-0.231	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)NC1CCCC1	1542586950	RQYNUKBHELWILV-UHFFFAOYSA-N	242.279	-0.475	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC1(CO)COC1	1545996136	KDKLLDANXVFDAV-WTKPLQERSA-N	240.259	-0.445	50	10	BBGE	
Cn1ncc(CCC(=O)NNC(=O)C2CC2)n1	1623970513	ORYHXJUIJHEAFC-UHFFFAOYSA-N	237.263	-0.695	50	10	BBGE	
O=CNNS(=O)(=O)CCc1ccccc1	1858080748	RDEFPMOSTTYLAG-UHFFFAOYSA-N	228.273	-0.191	50	10	BBGE	
O=C1[C@@H](Br)CCN1OCCO	1880350133	JKPZSADQLVMIJP-YFKPBYRVSA-N	224.054	-0.094	50	10	BBGE	
NS(=O)(=O)[C@H]1CCCN(C(=O)F)C1	1882788033	RRNUWHGWYGGGMT-YFKPBYRVSA-N	210.230	-0.171	50	10	BBGE	
CN(C)CCN[C@@H]1CS(=O)(=O)C[C@H]1Cl	1885010044	OQNJLCQEOKPXDA-HTQZYQBOSA-N	240.756	-0.458	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@@H](O)C[C@H]1CO	1886211590	LJGHCYLQCLMHCR-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](O)CCCN(C)[C@@H](C)C(=O)NN	1886909845	XGFAUAQRMQUUJH-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CN1C[C@H](N(C)C(=O)NN)CCC1=O	1887641125	FCKQNUFXOCUTEY-ZCFIWIBFSA-N	200.242	-0.878	50	10	BBGE	
CCN(C)C(=O)NN(C)S(=O)(=O)CC	1888572310	SSTVWLAXTVKKLI-UHFFFAOYSA-N	223.298	-0.156	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)C1CC(Cl)C1	1893474626	LBNMCOXIRUAKHA-UMULYZNJSA-N	221.684	-0.138	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@H](O)C[C@H]2C1	1898238180	PJYWFHDGGXLJJL-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@H](F)C1	1900107770	RJSJPUPUTYBFAZ-BWZBUEFSSA-N	231.032	-0.954	50	10	BBGE	
C#CCCCOC[C@H]1CC[C@H](C(=O)NN)O1	1900770536	PEZOOTMTDRDCOD-NXEZZACHSA-N	226.276	-0.046	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)N1CCC(=O)C1	1901345641	GHUZZPIHOYRFRT-UHFFFAOYSA-N	249.292	-0.833	50	10	BBGE	
CC=C(C)C(=O)NCc1cnc(B(O)O)s1	1901528630	YMOSJGNKWSVIRZ-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@H]1C1CC1	1902507757	GEDJDKDCTJTASC-IUCAKERBSA-N	225.292	-0.081	50	10	BBGE	
CCOC(=O)[C@H](N)C(=O)NC1CC(Cl)C1	1909272033	GDWPBIHFLOSMSM-KPGICGJXSA-N	234.683	-0.237	50	10	BBGE	
CCn1ccn(C[C@H](C)C(=O)NN)c1=O	1912238824	GJDOGUKGRBHHJN-ZETCQYMHSA-N	212.253	-0.704	50	10	BBGE	
C[C@H]1CCC(=O)N(C[C@H](C)C(=O)NN)C1	1912262573	ZXOFVGOPOQLSPI-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
CC(C)(CCN1CC[C@@](F)(CO)C1)C(=O)NN	1917101603	WYOPFYXUZWSXRS-NSHDSACASA-N	247.314	-0.201	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)C1[C@@H]2CNC[C@@H]12	1923401952	NFVHHZKWHXLTRX-QWWZWVQMSA-N	237.181	-0.839	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)CCO1	1929659127	JDQUIBBMLCTZLH-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H](F)C1	1932135417	SZVBZLMTHXCYHX-LURJTMIESA-N	203.217	-0.673	50	10	BBGE	
NC1(C(=O)NCC(Cl)Cl)COC1	1932894803	MFMRGKGXXDOSLZ-UHFFFAOYSA-N	213.064	-0.366	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(C)(CO)C1	1935358328	JMJYMIIWAXUSFD-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
Cc1nccn(CC(F)(F)C(=O)NN)c1=O	1935941122	IFUUXSSFAZDJHT-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@H](C)O1	1935943300	BYOXXKZXRUZVFG-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
CN1CCC[C@H](N2CC(=O)OC(=O)C2)CC1	1936016119	NCJXYNMOEXSPGC-VIFPVBQESA-N	226.276	-0.144	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCCO1	1936093075	ANICNYJTMJHOBA-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1Cl	1936883685	XSCIQXNNEVXPMZ-POYBYMJQSA-N	243.698	-0.202	50	10	BBGE	
O=C(Cn1cnnc1)N1CCOC[C@H](Cl)C1	1937147415	UFZBSUDYZFSVQA-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@@H](CO)C1	1941089654	WYOVVHUZWANEQZ-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
Cc1cc(C)n(C[C@@H]2C[C@H]2C(=O)NN)c(=O)n1	1941089787	XDWLBZAJUMWWBW-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
N#Cc1cccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1941089991	XZYQPFVWVZEOOQ-BDAKNGLRSA-N	232.243	-0.654	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1[C@@H]1CCOC1	1941372375	IZKXJQBEBHCQMB-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@@H]2COC[C@@H]2C1	1942892677	ISVCEHNDEXKFKU-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CN1CC[C@H]2CCN(CCC(=O)NN)C[C@@H]2C1	1944029548	NEPFUVFHTQXUDD-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
CCCN(CC(=O)NC)CC1(C(=O)NN)CC1	1945883815	GDDGJALYVLUFGD-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC1(C)C[C@H](CO)N(CC2(C(=O)NN)CC2)C1	1945912720	NHRRNASDCUDEHY-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1CC2(CCN(C)CC2)C1)C(=O)NN	1947134479	CBGKPARBCDSQKE-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
Cn1nc(Br)nc1C=CB(O)O	1953718590	VGGHJQDNQKUQLG-UHFFFAOYSA-N	231.846	-0.397	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1nc(B(O)O)cs1	1957003303	PQLQJZKQTDZDHH-NTSWFWBYSA-N	212.083	-0.333	50	10	BBGE	
NNC(=O)N1CCC[C@H]1C(=O)NC1CC1	1961196447	XURHRTHRDXCAFW-ZETCQYMHSA-N	212.253	-0.687	50	10	BBGE	
C[S@@](=O)C1CN(CC(C)(C)C(=O)NN)C1	1961565552	RTKMWCJNBXAYQD-OAHLLOKOSA-N	233.337	-0.935	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]2C)n1	1961705529	CZLYFOWDDNWCHJ-QMMMGPOBSA-N	206.054	-0.332	50	10	BBGE	
OB(O)c1csc(N2CCC[C@@H]3C[C@H]32)n1	1961718082	JVZYWIZKGWJXHA-RNFRBKRXSA-N	224.094	-0.188	50	10	BBGE	
COCCO[C@@H]1CCN(CCC(=O)NN)C1	1976096801	LREQWQSVZRFADZ-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CN(Cc1ncno1)CC1(C(=O)NN)CC1	1976743972	FAUNSSZESVMKFT-UHFFFAOYSA-N	225.252	-0.729	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@@H](C)CC(=O)NN	1978306392	WRSADFNRVJDBNK-WCBMZHEXSA-N	229.324	-0.010	50	10	BBGE	
O=C1NC(=O)[C@@H]2CCN(C[C@H](O)CCl)C[C@@H]12	1978817403	YBACRUMIHZATDW-BWZBUEFSSA-N	246.694	-0.819	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCOC2(CC2)C1	1980206281	XNFMNLOWHSZILW-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ccc(B(O)O)cn1	1981415720	IAFSOROWKBCCKT-VXNVDRBHSA-N	224.044	-0.302	50	10	BBGE	
Cc1cnn(-c2nccc(C)c2B(O)O)c1	1981455170	WJDLKSRJZRZCQV-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CO[C@H]1CC(C(=O)NNC(N)=S)C[C@@H]1OC	1982342578	DVZSXVJSILOKGW-BQBZGAKWSA-N	247.320	-0.709	50	10	BBGE	
CC(C)(CN1C=CS(=O)(=O)C=C1)C(=O)NN	1983342350	SIMOXCVONQXUPO-UHFFFAOYSA-N	245.304	-0.325	50	10	BBGE	
CO[C@]1(CN(C)[C@H](C)C(=O)NN)CCOC1	1987015243	PXGRNWZMAQRLHZ-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CN1CC[C@H](C2(O)CC2)C1)C(=O)NN	1987339709	CAOWJSAXABRXKU-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCOCC(=O)NN)CS1	1988352184	UPJLWCSQWROFEM-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCOC1	1990773830	AKNIEVFTRATFKX-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
C=C(CN(C)C1C[C@H]2COC[C@@H]2C1)B(O)O	1992152943	JWRHPBZWKWQERV-UWVGGRQHSA-N	225.097	-0.089	50	10	BBGE	
C[C@@]1(C(=O)NCC=CB(O)O)CCCCO1	1992636074	OFUIBBWUVZJFQA-JTQLQIEISA-N	227.069	-0.370	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1ncc(B(O)O)s1	1994977953	GDFBVALXNPPBEL-SPGJFGJESA-N	244.056	-0.491	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C1(C)COC1	1995550117	HWMMVXLVEYDCHU-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOCCOCC1	1997203193	MFMZTCAOJUNOJZ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	2002478292	SMYCRWPJOVLYED-JDUUOCRZSA-N	241.335	-0.152	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H]2C[C@@H]21	2003506169	PBRITZOJFUXVFV-CBAPKCEASA-N	235.291	-0.382	50	10	BBGE	
CN(c1ccncc1B(O)O)C1[C@H]2CCC[C@H]12	2004912870	ZBBWHCBBTLKDIK-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
Cc1cnc(N2C[C@@H](F)[C@H](C)C2)c(B(O)O)c1	2005014165	HQOGGOGEDMNLAL-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CC(C)C2)n1	2005015200	XIMJDTWSZUHCOA-UHFFFAOYSA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1OCC[C@H]1F	2009181245	IXGOGCCDYGLDQF-KOLCDFICSA-N	240.039	-0.128	50	10	BBGE	
CCN(CCF)Cc1nn(C)cc1C(=O)NN	2012677782	KDYUHNCLNGZPLI-UHFFFAOYSA-N	243.286	-0.185	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1ccc(F)c(B(O)O)c1	2014594302	NQEUMEDUCXYYNJ-HQJQHLMTSA-N	240.039	-0.081	50	10	BBGE	
COCCCOC[C@H]1CCC[C@@H](C(=O)NN)O1	2018243418	SFEFNAZLQFHPIG-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1(CCF)CC1	2018910168	IORUIWQOQIMLJU-UHFFFAOYSA-N	239.055	-0.332	50	10	BBGE	
C=C(CN(C)Cc1cnn2c1CCC2)B(O)O	2021162085	BFZMCHFVTMLLQF-UHFFFAOYSA-N	235.096	-0.171	50	10	BBGE	
Cc1ncnc(-n2ccc(C(C)C)n2)c1B(O)O	2052603134	PVVJOUFJMAFECZ-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1ncncc1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2058462369	OXVJUNOYPRXGAQ-GXSJLCMTSA-N	249.318	-0.157	50	10	BBGE	
CCc1cc(C=O)c(OC)cc1B(O)O	2060164893	NVZGPAJTFMQVRH-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ccccc2B(O)O)CO1	2079012803	ZVEZQVSMMGSVLE-RKDXNWHRSA-N	249.075	-0.726	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)C[C@@H](O)C2)CC1	2210695889	QEFAOCXULSDVGC-JGVFFNPUSA-N	231.271	-0.839	50	10	BBGE	
CC1(CO)CN(CC2(C(=O)NN)CCC2)C1	2212247836	KHLCYESQNAOCNB-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
CNCC[C@H](C)Oc1ccc(B(O)O)cn1	2212603041	BSPTZHSGTIWFAJ-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C=C(C)CCN=c1cc(B(O)O)c(C)c[nH]1	2212605152	YQVGYJFSMSNQCN-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
CCON(CC)c1cc(B(O)O)c(C)cn1	2212605762	JSMPPOQSINAPIQ-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2cc(B(O)O)ccn2)C1	2212610652	MMXHXCUJNVENDJ-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
C#CCC(C)(C)Nc1ccc(B(O)O)cn1	2212611354	ZONLBPSRFXDAQI-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C(C)(C)C(N)=O	2215772330	NKLGYEBZNYRPKB-YUMQZZPRSA-N	242.323	-0.802	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(OC)C1	2216674723	KYXNJKOJYKBEKV-KKZNHRDASA-N	243.307	-0.898	50	10	BBGE	
C[C@@]1(N)CCC[C@H]1Oc1ncccc1B(O)O	2217171897	GSNYWCFMXNJNPF-MWLCHTKSSA-N	236.080	-0.590	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNc1cc(B(O)O)ccn1	2217174059	WAXHRBIBQAVREO-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@H]2O)cc1B(O)O	2217179219	IBBUMYBPLPOAPW-VHSXEESVSA-N	236.080	-0.605	50	10	BBGE	
OCC1(Nc2nccc(B(O)O)c2F)CCC1	2217181304	ZYJVVPLIRKEIIR-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3CCCO[C@H]32)nc1	2217185312	VIMUCCJYJRNXLC-JMJZKYOTSA-N	234.064	-0.649	50	10	BBGE	
NC[C@H]1C[C@H](Nc2nccc(B(O)O)c2F)C1	2217185468	XVIFXVXBMWPUNJ-LJGSYFOKSA-N	239.059	-0.950	50	10	BBGE	
CC[C@H](N)C[C@H](C)Oc1ncc(B(O)O)cn1	2217191469	KAQMSCGHPBTIHV-CBAPKCEASA-N	239.084	-0.949	50	10	BBGE	
CC[C@@H](C)[C@H](CO)Nc1cc(B(O)O)ccn1	2217197751	QJIGYFOFEYOJAR-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C1CCC1	2217199363	CFMUHCZMXRETIK-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCCC(F)(F)F	2217410744	KJSUSPTUFKNGED-UHFFFAOYSA-N	249.985	-0.734	50	10	BBGE	
NCCN(c1cc(B(O)O)ccn1)C1CCCC1	2223635514	YCTMVBIGOVFFFS-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
Cc1cnc(N[C@H]2CNC[C@@H](C)C2)cc1B(O)O	2223646918	QXWNVBXQYSDMQL-WCBMZHEXSA-N	249.123	-0.520	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CCC(N)CC1	2223671589	OGRVYKYNGWYYIC-UHFFFAOYSA-N	249.123	-0.533	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)CC1(C)C	2223672727	BZFCJTRIQVHEGX-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)CC23CC3)c1	2223674872	NTTUSHVWRCZJHS-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
CCC(F)(F)C(=O)NCC#CB(O)O	2241555775	QQASROYLKINDPH-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
CC(F)(F)CNC(=O)c1cc(B(O)O)c[nH]1	2243348848	AWAQHISLYGKCHU-UHFFFAOYSA-N	231.995	-0.921	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C(F)F	2243349838	RDLXRFZDSCUKAD-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC2(CCC2)C1	2243357426	WSDBBRQSBTYVKI-UHFFFAOYSA-N	221.065	-0.206	50	10	BBGE	
CC(C)CONC(=O)c1ncsc1B(O)O	2243359478	UJOQGSMYDFFVPU-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccoc1B(O)O	2243362746	VZZDSXWOJGNLDY-POYBYMJQSA-N	223.037	-0.560	50	10	BBGE	
CC(C)N(C)C(=O)c1ncccc1B(O)O	2243374924	LZTQPSDJTHMPHA-UHFFFAOYSA-N	222.053	-0.758	50	10	BBGE	
C[C@H](O)C[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381709	ISUKHMAJCVBWJC-XAVMHZPKSA-N	229.085	-0.485	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2243382730	RCNYUCHSOZBMJO-AZDAQJLHSA-N	221.065	-0.284	50	10	BBGE	
CC(C)(N)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243392857	XPXLEJRAIBBBIO-YUMQZZPRSA-N	228.101	-0.517	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)c[nH]1	2243399986	UFMRQRXMEVWIAI-UHFFFAOYSA-N	228.032	-0.874	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1N	2243408016	FHVJFDFEXQYWHV-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1C[C@H]2C[C@@H]2C1	2243409477	IQTCBXPGRYZTBV-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)NCCC#CB(O)O	2244536913	OKFMUAUOOOSQFH-SECBINFHSA-N	226.085	-0.264	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H](CF)C1	2247738481	QVIVXAAUNDEHBZ-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
CNCc1cccc(NC(=O)C#CB(O)O)c1	2247743724	IHGRYDLWBCTBGK-UHFFFAOYSA-N	232.048	-0.640	50	10	BBGE	
O=C1[C@H]2[C@@H](CN1C(=O)C1(B(O)O)CC1)C2(F)F	2247756448	MDHRNMBQFFLPJP-RFZPGFLSSA-N	244.990	-0.757	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247759264	ZMCXABRPVQTMTF-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2sccc2B(O)O)C1	2247770993	JAPHBXFVUGCPEX-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
COCCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247793459	XUXKXADIBJLUKF-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
CN(CCc1cnc[nH]1)C(=O)[C@H]1C[C@H]1B(O)O	2247797663	LVMSKMJGJGJOFF-DTWKUNHWSA-N	237.068	-0.727	50	10	BBGE	
O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[C@H]1B(O)O	2247798575	VOSOWFMXDWPOBE-FSDSQADBSA-N	249.022	-0.610	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2247808901	WORWAKXZMLJBEU-VAPHQMJDSA-N	239.080	-0.325	50	10	BBGE	
O=C(NC1(CCCO)CCC1)[C@H]1C[C@H]1B(O)O	2247810689	ZJBFKSUDBXCCSH-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2247848018	FXJYKNZJNDYPKR-RDDDGLTNSA-N	234.064	-0.633	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1ccoc1B(O)O	2247866827	TVDYOCUDZDCJHE-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C=C[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247869116	MBYBLMDBRGPCHL-VIFPVBQESA-N	235.048	-0.346	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)C[C@@H](C)O	2247890626	AEXAIPKBFKDYCF-AFWXGSBKSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CNC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247898060	AAPUAPHBCFBIKG-QCLAVDOMSA-N	240.112	-0.789	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CO	2247898093	AJUCCGCEVGXRMF-KYXWUPHJSA-N	241.096	-0.674	50	10	BBGE	
CCOCCOCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247899619	OTVNNTXQRXHFOA-RKDXNWHRSA-N	245.084	-0.981	50	10	BBGE	
C[C@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901776	AGFLVXZLBVVYSD-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H](C)N1	2247909553	KMPIJHRAMSXILA-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910055	MNHVEOFMXZTPAR-AXTSPUMRSA-N	240.112	-0.422	50	10	BBGE	
O=C(O)CCC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248573330	CLKQAQPLENEWED-SFYZADRCSA-N	241.052	-0.828	50	10	BBGE	
Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2248585484	MIIADZJCGIKLRS-RQJHMYQMSA-N	236.036	-0.103	50	10	BBGE	
CN(CC[C@H]1CCO1)c1ncccc1B(O)O	2253139703	AOBIBAZDPMLRQX-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CC12COC(COc3ncccc3B(O)O)(C1)C2	2254931114	CCWLRBFEWIHPAI-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
CCc1c[nH]nc1NC(=O)c1ccc(B(O)O)o1	2255463035	CYVWFIOSLXXAAD-UHFFFAOYSA-N	249.035	-0.503	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1cc(B(O)O)c[nH]1	2255473771	NWNXQUJIUXPIPO-ZDJQOSGVSA-N	246.075	-0.921	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC2CCC2)n1	2255486730	FFWCFBQXIXSREN-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)C1CC2(CC2)C1	2255554977	UTGTZCYHMJUUHS-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@H]2C1	2255691572	OFIYCCQHVBZFAA-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255710030	FKWLKNQNVFDPFN-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2cccn2)C1)[C@@H]1C[C@@H]1B(O)O	2255768549	IEEVWEXXRFUGMO-KYXWUPHJSA-N	249.079	-0.434	50	10	BBGE	
C=C1CON(C(=O)c2cc(B(O)O)ccc2O)C1	2256014386	NKPOXAMLVKMVLA-UHFFFAOYSA-N	249.031	-0.984	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1cocc1B(O)O	2258128913	RKPKAPWNNDZQNP-PELKAZGASA-N	249.075	-0.121	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298370218	RTVNCXGCNUMPGM-JAJCVEGXSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCOC1	2298370223	RVQXOVYWVVEHFI-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CCO)[C@@H]1C[C@@H]1B(O)O	2298376234	NTSOSSMCKQYQFW-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1CCOCC(=O)NN	2299330261	AWMYXLGZCQMZBR-NXEZZACHSA-N	243.307	-0.996	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC2CC1(CO)C2	2299755325	AADGRJHHIYXDSU-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCO2)cc1B(O)O	2301421463	UUOWKTBQYSGCQE-JTQLQIEISA-N	235.048	-0.620	50	10	BBGE	
C[C@@H](O)[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301450897	KIQKOVZCQODWLH-HTQZYQBOSA-N	237.064	-0.640	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2C(N(C)C)[C@H]2C1)B(O)O	2301964468	KQVDNSOMWADXFL-UWVGGRQHSA-N	238.140	-0.173	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([C@H](F)CO)C1	2302054423	DRDPQECWWWZFET-WCBMZHEXSA-N	247.314	-0.203	50	10	BBGE	
Cc1c[nH]nc1C(=O)N1CC[C@](C)(B(O)O)C1	2303109850	VKRIZECSVFSHFV-JTQLQIEISA-N	237.068	-0.203	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303110191	YEUSJJMWXQHOEY-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303848026	SEPDNLXCNKIKGY-PSASIEDQSA-N	240.043	-0.510	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC=C[C@]1(CO)COC	2306855723	ABHDKTHKZOHUQJ-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
OB(O)c1cncnc1N1Cc2cccnc2C1	2315383929	DVDQZHOGWLPMDD-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2nccn2CC1	2315468668	DORONKGBNQSJKK-RKDXNWHRSA-N	249.079	-0.869	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1ccc(B(O)O)cc1C#N	2317168329	SXSYMQSDVCYYDA-BDAKNGLRSA-N	248.091	-0.257	50	10	BBGE	
N[C@@H]1CC[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317313056	QSUDENFHSSAHAR-NXEZZACHSA-N	249.075	-0.563	50	10	BBGE	
Cc1cnc(OC[C@@H]2[C@H]3COC[C@H]32)cc1B(O)O	2318839107	ISBZUJOTGCYEKS-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
CS(=O)(=O)c1ccc(CNC(=O)NN)cc1	45174517	OJBUBILAKJRPBV-UHFFFAOYSA-N	243.288	-0.237	50	10	BBGE	
NNC(=O)CSc1nnnn1C1CCCC1	70159302	OUBXKVKLADODIF-UHFFFAOYSA-N	242.308	-0.130	50	10	BBGE	
NCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	82473008	JLKOLBOHTVNXQM-BQBZGAKWSA-N	219.310	-0.784	50	10	BBGE	
NNC(=O)CCOc1ccccc1CO	82505796	ZBICUYZAQZXCPV-UHFFFAOYSA-N	210.233	-0.062	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	82511525	GFSJZKDBJFOESI-NKWVEPMBSA-N	248.710	-0.302	50	10	BBGE	
CCc1nnc(C)cc1C(=O)NNC(N)=O	132675224	JWVYSMFUKGFUDZ-UHFFFAOYSA-N	223.236	-0.339	50	10	BBGE	
COCC[C@H](NC(=O)NN(C)C)C(=O)O	149104099	ZNENZNXXJCQKLV-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](CCO)C1	159982537	OYKQSPDNSKTLKW-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
N#Cc1cccn1C[C@H]1CC[C@@H](C(=O)NN)O1	160512942	CKZKXDBBLOPPNQ-ZJUUUORDSA-N	234.259	-0.103	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCOC1)C(=O)NN	251156594	ZENDWYHNQXXTRT-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)OC[C@H]1C	251265110	ZHOCFRSOKZXKFO-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CN(C)CCCNC(=O)CNC(=O)CCl	258892922	FVPQXZLGRVHXKO-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
CNNC(=O)Cc1ccc2oc(=O)n(C)c2c1	258970298	IBSJIFJFYOOVDK-UHFFFAOYSA-N	235.243	-0.075	50	10	BBGE	
Nc1cc(B(O)O)ncc1C(F)(F)F	307646475	BYVGEOIPVPIPSB-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
N=C(N)NNC(=O)Cc1ccc(F)cc1	308877924	DJISACCBYGKGEJ-UHFFFAOYSA-N	210.212	-0.118	50	10	BBGE	
C[C@H](CN)SCc1nc(C(=O)NN)co1	387063818	XDJLCEVKFNVVAL-RXMQYKEDSA-N	230.293	-0.142	50	10	BBGE	
CCC(=O)NCCNC(=O)NC(=O)[C@@H](C)Cl	393049691	FLAZMFQQSPTATR-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
C[C@@H]1COCCCN1[C@H](C)CC(=O)NN	398960348	YLPMLYTUTCUEHN-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1ccccc1CNC[C@@H]1CCC[C@H]1O	585025935	ADEMBJULBBMDGI-WCQYABFASA-N	249.119	-0.383	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689158579	LGNBGAQLCITSFV-MNOVXSKESA-N	242.367	-0.116	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCC[C@@H]1O	689815146	JGCIOYUMBJDPGF-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	692110567	AMLWUVQKAFKCCC-QMMMGPOBSA-N	239.275	-0.612	50	10	BBGE	
CO[C@@H](CCN)C(=O)N1CCC(O)(C#N)CC1	692179445	WDXALPVWRPPGDU-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CO)C1	694663171	VKLLOJOBFMYXSB-NGZCFLSTSA-N	229.324	-0.295	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@@H]2C[C@@H]2C1	695875774	ZBOPPZFIVOSPRP-BRPSZJMVSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)c1occc1CN1CC2(COC2)C1	697132595	JOZQFQJUYCRFPY-UHFFFAOYSA-N	237.259	-0.285	50	10	BBGE	
O=S(=O)(CCCl)NCCN1CCC1	697401361	HOHQJPMVUFKQGZ-UHFFFAOYSA-N	226.729	-0.150	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)[C@@H](COC)C(=O)NN	698362364	NGEQXOQMAQWADO-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H](C)[C@H](O)CO	698872593	LICJEAUOPPFBEM-KVQBGUIXSA-N	240.097	-0.372	50	10	BBGE	
CNNC(=O)[C@@H](CC(C)C)NC(C)=O	704387139	VKWKJPIYDOLAJE-MRVPVSSYSA-N	201.270	-0.212	50	10	BBGE	
CCn1nnnc1S[C@@H](C)[C@@H](C)C(=O)NN	707107371	PHKHCGCJBWDYFK-RITPCOANSA-N	244.324	-0.200	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(C)(O)C1	710036405	MLYWLQISWLBQFQ-MRVPVSSYSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](C)C(=O)NCc1cnc(B(O)O)s1	718796336	GDQSBEYRUWKIRM-ZCFIWIBFSA-N	242.109	-0.515	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCS[C@@H](CO)C1	720076670	VZHUCSKCIGDNHO-XHNCKOQMSA-N	247.364	-0.589	50	10	BBGE	
O=C(C1=NCN=C1)N1CCOC[C@@H]1CCl	725690736	GUPLMOTXGLPNMN-ZETCQYMHSA-N	229.667	-0.065	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](O)[C@@H](F)C1	725694047	GFQDYHOPYZVGLK-NTSWFWBYSA-N	231.676	-0.083	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cc[nH]n1	855358399	IYJHRRRASDPLGD-UHFFFAOYSA-N	226.236	-0.404	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1nccnc1OC	910584009	RMYVELMHECSQBR-AVALRIAPSA-N	238.247	-0.135	50	10	BBGE	
Cc1ncc(CC(=O)NN(C)[C@H](C)CO)o1	911448211	QVAUFUMPFVHSFK-SSDOTTSWSA-N	227.264	-0.131	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1NNC(=O)N1C	953028897	YAVZULHOAHYUDN-WHFBIAKZSA-N	220.660	-0.784	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1coc(C(N)=O)c1	1141855225	HTBARCHMWPBPEG-ZCFIWIBFSA-N	241.247	-0.664	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H](C#N)CO	1330849048	SEUYJZLZSOHNEU-UAPHAKCISA-N	209.205	-0.569	50	10	BBGE	
CC1(CONC(=O)c2cccc(B(O)O)c2)CC1	1875782018	MYMPVBRFAVYNPM-UHFFFAOYSA-N	249.075	-0.172	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(OCC(=O)NN)C1	1880030492	MRCMKLPMTRAQGB-UHFFFAOYSA-N	245.279	-0.388	50	10	BBGE	
CCn1nnc(C[C@H](N)CBr)n1	1881434830	OFSSBQFCVWEPJG-YFKPBYRVSA-N	234.101	-0.042	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC([C@H](O)CO)C1	1887280981	KCRSDOCHWKOBLZ-POYBYMJQSA-N	221.684	-0.327	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@@H]1C[C@@H]1Cl	1893107037	JUTGCKARJWKRGD-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
O=C1NCC2(CN(C[C@H]3C[C@H]3Cl)C2)N1	1893108057	PZHAPTSDIXNITN-RNFRBKRXSA-N	215.684	-0.019	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1893498118	PHISWWYRJZMSNH-SRGUAZEISA-N	221.640	-0.834	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H](F)[C@H](F)C1	1895125336	CHQXQOCCFVDETL-HTQZYQBOSA-N	228.007	-0.742	50	10	BBGE	
COC12CC(C1)N(C[C@@H]1C[C@H]1C(=O)NN)C2	1896209771	LXYQGDGCNCRUSL-PRXWZZOHSA-N	225.292	-0.524	50	10	BBGE	
O=C(NC[C@H]1CCNC1=O)[C@@H]1C[C@H]1Cl	1899577484	KMINAGDOJYPXKT-FSDSQADBSA-N	216.668	-0.134	50	10	BBGE	
CCN(CCO)CCC[C@@H]1C[C@@H]1C(=O)NN	1900529625	XVWYYQOCGXPMLO-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(NC)CCC1	1901344680	UPXHKBFPWMQXOK-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@@H]2Cl)[nH]cc1F	1903009100	DDVFUTSPZDBYFB-FSPLSTOPSA-N	244.462	-0.638	50	10	BBGE	
Cc1conc1C(=O)Nc1ncccc1B(O)O	1913617199	IEYWDAWGJQTCBW-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)CCC1=O)C(=O)NN	1914271531	IFHJTTZHJHCPQY-QMMMGPOBSA-N	243.307	-0.624	50	10	BBGE	
CC1(C)C[C@H](O)CN(CCC(=O)NN)C1	1923156405	XFOLPEMWLZYXCA-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CN(CC(=O)NNC=O)C(=O)OC(C)(C)C	1923394425	NIUAMCDTRBAIQM-UHFFFAOYSA-N	231.252	-0.370	50	10	BBGE	
NC(=O)NNC(=O)c1noc2c1CCC2	1924542116	IQYGPVGEDVDOHT-UHFFFAOYSA-N	210.193	-0.524	50	10	BBGE	
CCOC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927906462	ANSVRABCVMHLML-APPZFPTMSA-N	213.281	-0.667	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@](C)(O)CO1	1930291798	QKRLGXGNJNHKTD-IONNQARKSA-N	217.269	-0.857	50	10	BBGE	
C[C@@H]1C(=O)N(CC(F)(F)C(=O)NN)C[C@@H]1C	1935925855	LSNAMFUSCOOMBX-WDSKDSINSA-N	235.234	-0.274	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090601	IRJHAEVDQRSMOC-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2[C@H](C1)C2(F)F	1936534318	OOMCVRVSESVICT-BQBZGAKWSA-N	235.234	-0.810	50	10	BBGE	
CN(C[C@@H]1CCOC1)CC1(C(=O)NN)CC1	1938247497	UMGRATHSWQYCJR-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCCN(CCC(=O)NN)C1	1940301558	AYASZXLYUIGMBC-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H]2COCC[C@@H]21	1940344697	XZFKXKXYBSNFQT-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1941091795	BYZKXCOUEJGNEM-NKWVEPMBSA-N	239.275	-0.603	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@@H]21	1941372206	HXOMDQOBHJGXMK-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@@]2(CO)C1	1942487063	MRJPOTGLDLCVBS-PWSUYJOCSA-N	241.335	-0.149	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083396	JOLWOTLFSKLWEA-AXFHLTTASA-N	241.335	-0.296	50	10	BBGE	
CN1C[C@@H]2CN(CC3(C(=O)NN)CC3)C[C@H]2C1	1945882451	IGAHXTIHRIKAAY-NXEZZACHSA-N	238.335	-0.750	50	10	BBGE	
COC[C@@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1946479967	YPNVNNALBVJYCN-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnn(C[C@]23CCC[C@H]2CCO3)c1	1947436753	OGIJYCVPTCQVRA-GXSJLCMTSA-N	236.080	-0.478	50	10	BBGE	
OCc1nnc2n1CCN(CCCl)C2	1956873302	KVTGNQQYXDJVGK-UHFFFAOYSA-N	216.672	-0.175	50	10	BBGE	
Cn1[nH]nnc1=NCC[C@@H]1COC[C@@H]1Cl	1960669443	HNNYFFMMVOJMII-RQJHMYQMSA-N	231.687	-0.312	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H](O)C1	1961134271	HEJDPWZSJOVEPF-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(O)C1	1961405531	BDUYKJYETDUULM-XKSSXDPKSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@H](CF)CC1	1962442524	QGEJXLCYINISTE-LJGSYFOKSA-N	217.244	-0.379	50	10	BBGE	
COC1CN(CCC(F)(F)C(=O)NN)C1	1975104179	ODNSPTSECLNJSM-UHFFFAOYSA-N	223.223	-0.668	50	10	BBGE	
CN(Cc1cocn1)CC(F)(F)C(=O)NN	1976731987	RYAZFPBAMNHMMB-UHFFFAOYSA-N	234.206	-0.268	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N(C)C)[C@H](N=C=O)CO1	1979162690	DOSFTLPKQQJNKC-YUMQZZPRSA-N	249.292	-0.825	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(F)(F)C[C@@H]1C	1981239427	KFWNLAGCYDENGH-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1nc(B(O)O)cs1	1981468479	CINJTPWOHDMVHJ-RNFRBKRXSA-N	238.121	-0.085	50	10	BBGE	
CCC1CN(c2ncc(B(O)O)cc2F)C1	1981468712	HDIQUBYKCXNAPT-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@@]1(C)O	1989511680	FZBVMONGSRLCAP-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@H](N2CC(O)C2)C1	1991693311	MFYQUIRLDRXBSL-FXBDTBDDSA-N	244.722	-0.109	50	10	BBGE	
CC1(C)CCC[C@H]1C(=O)NCC#CB(O)O	1992168158	WFKJTTNYTWIFBY-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@H]1[C@H]2CCl	1993991953	KRDDUCJAFKYJPR-CSMHCCOUSA-N	241.682	-0.241	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@]1(C)CCO	1994706753	IKJNEXLBMHNWQS-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C=C(CN(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41)B(O)O	1995623263	GTMGXJYIJVELSF-TZFXITLGSA-N	219.093	-0.003	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cncs1	1996646471	DJPWHWCAXRTZGY-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN([C@@H](C(=O)NN)C(C)C)C1	2000967012	KQKJJKQHMPZYDB-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
C[C@H]1CO[C@H](COc2cncc(B(O)O)c2)C1	2001600914	DKJXVDPFOIGUGW-KCJUWKMLSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H](N(C)c1ncc(B(O)O)cn1)C(F)(F)F	2004918255	JKGXGOPFIKYCOR-RXMQYKEDSA-N	249.001	-0.457	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncccc3B(O)O)C[C@@H]21	2004935876	RCRBCPRXJYDQLK-IUCAKERBSA-N	232.092	-0.146	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2(C)CC2)n1	2005017884	LNZFKUYQIBTYBI-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
C[C@H](COCc1cccc(B(O)O)c1)N(C)C	2006994618	QCMGMIOLLNDNRU-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
NNC(=O)CCN1CC(O)(c2ccccc2)C1	2008499724	OFQVIDXRFFHLBN-UHFFFAOYSA-N	235.287	-0.430	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1COC2(CCOCC2)C1	2009142114	FVHNEZJKZDBHLC-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
COCCN(CCOCC(=O)NN)C1CCC1	2020638448	SSOJFQFAXHCBLN-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@@H]4C[C@H]43)(C1)C2	2023853178	KNKIRLYMSMTAFV-CNVPUSNMSA-N	237.303	-0.380	50	10	BBGE	
CC(C)(COCC1COCCOC1)C(=O)NN	2024298577	DBTITYCXMZLQDH-UHFFFAOYSA-N	246.307	-0.318	50	10	BBGE	
Cc1cocc1C(=O)Nc1ccc(B(O)O)cn1	2040767291	PLCRPRZAEHYNDD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@@H]3CCC[C@@H]32)nc1	2052473232	RFKPZRJUDWWCFN-WDEREUQCSA-N	248.091	-0.481	50	10	BBGE	
Cc1ncoc1CN(C)c1ncccc1B(O)O	2052495140	WRWYECTYYQBFKJ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)CC1(C)C	2052498936	LNGDOINYJDNFTN-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)c1ccnn1C	2052795292	JDJWEPOCMYUYOZ-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(C=O)c1B(O)O	2060267851	AJWDCJLOSZFSFP-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COCC[C@H]32)cc1	2073062634	XYKYNSHRKFEJSP-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc([N+](=O)[O-])c1	2077488228	RNMWPKQWWMLIRW-UHFFFAOYSA-N	248.003	-0.660	50	10	BBGE	
Cn1ccc(COCc2ccccc2B(O)O)n1	2080347487	SSACCDQCUOTCEJ-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C#CC[C@H](C)C(=O)NCc1ccc(B(O)O)cc1	2084678707	LOUYDUIBZRRCIG-JTQLQIEISA-N	245.087	-0.358	50	10	BBGE	
O=C1CN(CC23COCC(C2)C3)CC(=O)O1	2211546040	GAHAGKNFPJEBPW-UHFFFAOYSA-N	225.244	-0.202	50	10	BBGE	
NNC(=O)C1(Cn2ncccc2=O)CCC1	2212250486	NPPFEVVTGJHVTE-UHFFFAOYSA-N	222.248	-0.597	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCO2)cc1B(O)O	2212603825	JISSSXNMMFQQKA-QMMMGPOBSA-N	222.053	-0.729	50	10	BBGE	
C#C[C@@H](Oc1ncc(B(O)O)cn1)C(C)C	2212609448	RUYMCOHPYFQENV-SECBINFHSA-N	220.037	-0.807	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@]2(CO)C1	2215773923	UXQMAHLPGTWURE-KLBPJQLPSA-N	239.319	-0.683	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215777499	SWXLVSORPWNOCQ-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CO)CCCC1	2216869236	AYKGDLYABKPOCE-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cnc(=NCC2CC(F)(F)C2)[nH]c1	2217175637	LLTJBYPGPOMZDN-UHFFFAOYSA-N	243.022	-0.965	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccco1	2217182376	ABMOXUJHPRHOJG-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1nccc(B(O)O)c1F	2217189846	JNFKGWFREYSNIW-SVRRBLITSA-N	241.027	-0.686	50	10	BBGE	
NC[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220061767	DFMFVWMCHQVTED-LBPRGKRZSA-N	248.135	-0.463	50	10	BBGE	
CC1(C)CCN[C@@H]1CNc1cc(B(O)O)ccn1	2223627073	LLAOTQWENNUYCV-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@@H]3CC[C@H]32)nc1	2223641719	CTXKPCCESXKTNF-GMTAPVOTSA-N	247.107	-0.686	50	10	BBGE	
NCC1CC2(CCN2c2ccc(B(O)O)cn2)C1	2223643548	XDFLOXKJBYJQEG-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(c2cc(B(O)O)ccn2)C1	2223671829	QGASEUYKDSISJA-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H](SC[C@@H]1CCCN1)C(=O)NN	2241292656	MHBAPBLBEKCUBG-RQJHMYQMSA-N	203.311	-0.150	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C)CF	2241728003	AJMOOHWPHKWLCI-LURJTMIESA-N	205.233	-0.557	50	10	BBGE	
CC(C)CN(CC(=O)NN)C[C@@H](C)O	2242075726	OAEDBFPNACTABM-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
CON(C(=O)C1(B(O)O)CC1)[C@H]1CCOC1	2243364452	XIIOPRMVVNSDFJ-ZETCQYMHSA-N	229.041	-0.828	50	10	BBGE	
CS[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2243365767	RUYUIKIUDPLQQQ-NKWVEPMBSA-N	245.109	-0.760	50	10	BBGE	
C[C@H](N)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417599	UXFVBAMZAVVQRS-XHNCKOQMSA-N	228.101	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@H](C)N1	2243427605	XZNPFCRBEOILAQ-UYXSQOIJSA-N	226.085	-0.942	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2243769548	VHOHFFLWLFFODM-VQVTYTSYSA-N	229.041	-0.924	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)[C@@H]3O)CC1	2244299481	DUIOFXZHHUHQEA-BRPSZJMVSA-N	225.292	-0.931	50	10	BBGE	
OB(O)c1cc(NCC2(O)CC2)ncc1Cl	2245912494	AVALZFCKCGMQLY-UHFFFAOYSA-N	242.471	-0.648	50	10	BBGE	
C[C@@H](N)CCOc1cc(B(O)O)c(Cl)cn1	2245913866	ZJEUNYWXTQLLMI-ZCFIWIBFSA-N	244.487	-0.469	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@]2(O)C[C@@H]2C1	2246741830	IPIFNPSYMRRXGM-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1occc1B(O)O	2247751189	UNMACZJYAJPBTO-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)n[nH]1	2247785980	UATSTHKOCOWMLL-RNFRBKRXSA-N	237.068	-0.898	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1nccc(C)c1B(O)O	2247792368	UPYBCDCWHCKGER-MRVPVSSYSA-N	234.064	-0.626	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247797017	FOBMMFULBZJJAP-HACHORDNSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247797540	KPENTUHOPLDZGF-DJLDLDEBSA-N	243.112	-0.237	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1C	2247801357	ZXSXGUSNVOJIKG-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
COC1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247808211	TYSILQMFSYHVFE-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CN(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810582	YNFDRQRRSWAXGW-GUBZILKMSA-N	240.112	-0.741	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CC[C@H](C1)O2	2247891041	DYKAITGWGZBYDN-OXYCZDQYSA-N	239.080	-0.371	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H](C)CF)c1B(O)O	2247891044	DZMUBHHNVUPNGL-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247895441	SOLBRRZMBLAUDR-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H](CCNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2247897945	YQGMUQVPATUDOY-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCCCC1	2247898149	ASCIPAQGOISWEW-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@H]12	2247898356	CTQXPHCIINTQHT-AZDAQJLHSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1CO	2247899789	QBUCCNOHMVFMFR-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CC1CC(CO)(N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899803	QFTFBEKSZMZENQ-GWMJWBFUSA-N	241.096	-0.531	50	10	BBGE	
CC(C)CNC(=O)c1ccc(B(O)O)cc1O	2247964297	WWISGBCHNACRQL-UHFFFAOYSA-N	237.064	-0.542	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H](O)c1ccccc1	2248429011	HZRDISDHZWYLAD-SNVBAGLBSA-N	235.048	-0.596	50	10	BBGE	
CN(C)C(=O)CCCN1CCC(B(O)O)CC1	2249357749	OMGVUOYTXFWTSI-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@@H]21	2249419174	DDLKIKUKBFXOOT-XCBNKYQSSA-N	235.048	-0.416	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)C1(B(O)O)CC1	2253338148	FQBOWVCGKSFNAF-ZCFIWIBFSA-N	248.038	-0.812	50	10	BBGE	
C#CCCN(CCC)C(=O)c1cc(B(O)O)c[nH]1	2255475546	ZBEBDQBAFZHPKT-UHFFFAOYSA-N	248.091	-0.430	50	10	BBGE	
N#CC1(NC(=O)c2ccccc2B(O)O)CCC1	2255525411	CWIVBBCAQZWZQJ-UHFFFAOYSA-N	244.059	-0.458	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)ncn1	2255570727	IPQDXFJBMZJPDH-NXEZZACHSA-N	249.079	-0.394	50	10	BBGE	
Cn1cnc2c1CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2255577998	BSWDOJAZEOFCQF-YUMQZZPRSA-N	249.079	-0.832	50	10	BBGE	
CCC=C1CCN(C(=O)c2c[nH]nc2B(O)O)C1	2255581984	DJBGCCQNINIIER-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCC12CCC2	2255669625	RENJVJOUXHMWLL-UHFFFAOYSA-N	248.091	-0.147	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ncccc1B(O)O	2255717471	YXZKVLAPXSPARA-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1occc1B(O)O	2255738217	PKUQOAPGKWZUIB-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
CCN(C(=O)c1ncc(B(O)O)cn1)C1CCC1	2255776580	UPZDHLZXQCQOAK-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC[C@H]2C[C@@H]21	2256017707	TZXYWOLLDMAOLC-XVKPBYJWSA-N	247.059	-0.694	50	10	BBGE	
C=C=CCC(=O)N1CCc2c(B(O)O)cccc21	2256598308	ONGYSGLPSMGBKW-UHFFFAOYSA-N	243.071	-0.013	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCN[C@@H]2C1	2298368849	AHJKKCDFNWZAKL-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]2C[C@]1(CO)C2	2299946276	SXPBDZXPAJETQB-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@@H]1COC[C@H]1O	2302018606	RWOCOFIJDLPJFA-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCNC(=O)CC1	2302061503	SJWDWVLPDBRTAZ-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)c1cccnc1	2303322186	VUTHIEAMDLJNHA-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC[C@@H](O)CCO	2306867352	SGHNZULTNAGISP-IWSPIJDZSA-N	243.259	-0.964	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1[C@@H]2CCO[C@@H]21	2309859796	ZCDVGKORDXHCKL-DCAQKATOSA-N	247.059	-0.660	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@@H]2CC[C@H]1C2	2312850034	LSYNGMSIYABEMA-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
O=Cc1ccc(O[C@H]2C=CCNC2)cc1B(O)O	2317351360	HCKIXLUZFPARPA-NSHDSACASA-N	247.059	-0.914	50	10	BBGE	
O=C=NCCN(CCN=C=O)[N+](=O)[O-]	2029649	PMZAXZNFRDOMGE-UHFFFAOYSA-N	200.154	-0.848	50	10	BBGE	
CN(Cc1ccncc1)C(=O)C(=O)NN	36776955	FVMOFSIAQHAYJV-UHFFFAOYSA-N	208.221	-0.970	50	10	BBGE	
CN(C)C(=O)N1CCC[C@H](C(=O)NN)C1	37400303	NQYHBCPFKIUGCG-ZETCQYMHSA-N	214.269	-0.630	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469329	XPKRRCHHRGNMMP-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CC1(C)CC(=O)C/C(=N/NC(=O)C(N)=O)C1	105292061	HPSWHKYQPSCFBI-SDQBBNPISA-N	225.248	-0.277	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C(C)(C)CO	134189571	LURVQHCTVKSAES-UHFFFAOYSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H](CC(=O)O)CC(=O)NC(=O)NN(C)C	148151491	IIWYAMWWWSEZBL-ZCFIWIBFSA-N	231.252	-0.210	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@](C)(O)C1	157537083	GKZPFCHHYIOPJA-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1C(=O)CCSC1=O	166876447	CFRKNNDCWPHJIX-UHFFFAOYSA-N	231.277	-0.158	50	10	BBGE	
O=C=NCNC(=O)N1CC[C@@]2(CNC(=O)C2)C1	170294183	AHWHXTZIDRICFL-SNVBAGLBSA-N	238.247	-0.799	50	10	BBGE	
O=C([C@H]1CCCCN1)N1CCC[C@@H]1B(O)O	195919451	YCLNNZMXERPEFT-RKDXNWHRSA-N	226.085	-0.869	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@@H]1CCCO1	199005438	NJOZYSCSARCVGD-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cncc(OCC2CCC2)c1	203681278	AVACGUFPTGYENO-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@H](C)Br	234718307	LNFZAXVCCNFCHK-NTSWFWBYSA-N	240.097	-0.107	50	10	BBGE	
C[C@H](Cl)c1cnnn1CC(=O)NC(N)=O	306159552	ATBNJAIYLZLKDQ-BYPYZUCNSA-N	231.643	-0.227	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(CCBr)C1	306161889	FBYWYDJDYFFXQO-SSDOTTSWSA-N	237.097	-0.697	50	10	BBGE	
CO[C@@H]1O[C@H](CBr)[C@H](O)[C@@H]1O	306432142	XDYMFLLJHRJOHK-DPYQTVNSSA-N	227.054	-0.526	50	10	BBGE	
O=C1CN(C(=O)CCl)C[C@H]2CCN1C2	307403101	BODMKSFUNVIBQL-ZETCQYMHSA-N	216.668	-0.084	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](F)C2)cc1	309003479	ZWPBPJKLTPTHGZ-SECBINFHSA-N	209.029	-0.085	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(C)cnc1N	309246467	CKTNDHANTVSKBZ-UHFFFAOYSA-N	244.276	-0.698	50	10	BBGE	
NC(=O)NN=CCCN1C(=O)CCC1=O	383966050	KPOQMQGTQOYHNT-UHFFFAOYSA-N	212.209	-0.820	50	10	BBGE	
C[C@@H]1CC(=O)N/C(=C(\C#N)C(N)=O)[C@@H]1C#N	384197783	ZHIQCKNIGOYCBM-ACHQGBPLSA-N	218.216	-0.455	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CCC(C)(C)C(=O)NN	384793433	ZNXPZZHPPFTXLI-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1CCSC[C@@H]1CO)C(=O)NN	388212908	VBOQRSLRJQVPCJ-SFYZADRCSA-N	233.337	-0.978	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)[C@H](C)C1	388611138	MEAPJKKLAQZIHT-BZNPZCIMSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1O	388639469	QBNHJNUAJBVSAQ-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
OB(O)c1cc2n[nH]cc2cc1OC(F)F	390261043	ZIDKZUOMCAFEDA-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
COc1cc(B(O)O)ccc1CC(C)=O	396021932	LZJBQHNICZKDPJ-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
COC(=O)CCc1cc(C)cc(B(O)O)c1	396047479	BEFBIRHFTIARJR-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(O)c1	396062444	UHVBKBJYGOQDGQ-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
NNc1cc(C(F)(F)F)ccc1B(O)O	396093112	HUUBJNIWSOCWBR-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
COC(=O)c1ccc(B(O)O)c(CCC=O)c1	396135708	FUQALTXVJNAMHU-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
COCCN(CCF)C[C@H](C)C(=O)NN	697054132	ANOKEYWWWUGXSA-QMMMGPOBSA-N	221.276	-0.470	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(CO)cc1	700868928	NDDYOGQQDMBXCG-UHFFFAOYSA-N	225.273	-0.343	50	10	BBGE	
COC(=O)NCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703477151	RTQYGVLLGIDRSU-BQBZGAKWSA-N	242.231	-0.741	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](COC)C1	705869840	QIPKAVSSICQAFS-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CN1CCC[C@H]2[C@H]1CCN2CCCC(=O)NN	720445746	MNBMUBVOGBNAQQ-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)s2)CCC1	720677275	YKCUKTCAJMUNHM-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1C[C@@H](O)C1	720981479	LGAQSQYOGZRBDP-BZNPZCIMSA-N	225.244	-0.326	50	10	BBGE	
CC(C)[C@H](F)C(=O)NNC(=O)c1cn(C)nn1	855186975	LNUNKTOPLRFLDB-ZETCQYMHSA-N	243.242	-0.430	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CS(C)(=O)=O	862504617	JCWYRANSZUZZDW-UHFFFAOYSA-N	243.288	-0.700	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)CC(N)=O	1116181216	LBSVYVSYXMGVFR-UHFFFAOYSA-N	201.226	-0.945	50	10	BBGE	
C[C@@H](NNC(=O)CC(N)=O)C(F)(F)F	1118945123	ZJGJUXGDRBUCCQ-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2ncon2)co1	1463151841	ZNZGKCGXAOBUNI-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
Cc1ccc(C(=O)NNc2nnc(C)n2C)nn1	1633579123	BZEPKUBPHFWLRL-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
Cc1cc(=NNC(=O)c2nccnc2N)cc[nH]1	1641047867	QYIMOOLWWLBYJT-UHFFFAOYSA-N	244.258	-0.059	50	10	BBGE	
COC(=O)NNC(=O)c1cnc2nccn2c1	1641087625	FYHSUQDPZOHNSG-UHFFFAOYSA-N	235.203	-0.270	50	10	BBGE	
CN(NC(=O)C[C@H]1CCS(=O)(=O)C1)C1CC1	1643222659	NRSVCYWYTXZXED-MRVPVSSYSA-N	246.332	-0.063	50	10	BBGE	
COC[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1	1683672961	AYTPBIPLCCZINM-LURJTMIESA-N	241.251	-0.611	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CCl)C[C@@H]2O1	1881802089	WYVHNSNEZZBXEQ-WHFBIAKZSA-N	204.613	-0.456	50	10	BBGE	
NCC#Cc1nc(=NC(=O)F)s[nH]1	1882790264	VVTVIGIFKSCCSF-UHFFFAOYSA-N	200.198	-0.228	50	10	BBGE	
OCC1(CO)CN(C[C@H]2C[C@@H]2Cl)C1	1883531988	AKORKHXYBXLXDA-SFYZADRCSA-N	205.685	-0.100	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CC[C@@H]1O	1883646866	FHQBSXQIBKKVFU-ZRKSVAJOSA-N	203.625	-0.053	50	10	BBGE	
COC1CN(S(=O)(=O)N[C@H](C)CCl)C1	1884687087	PSMOIKKJKJZEDO-ZCFIWIBFSA-N	242.728	-0.221	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OCC[C@H]1F	1885220511	UBSHSJRMQGTAQN-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)C[C@H]1CO	1886211693	NEUHYTSVKJVIGR-OSMVPFSASA-N	219.668	-0.432	50	10	BBGE	
Cc1c(CN)cc(B(O)O)cc1CS	1887521007	RVWMPHZSUMHTMC-UHFFFAOYSA-N	211.095	-0.437	50	10	BBGE	
NNC(=O)CN1C[C@@H]2C(C(F)F)[C@H]2C1	1889167109	GMOBKCBPPJLULW-WHFBIAKZSA-N	205.208	-0.581	50	10	BBGE	
COC(=O)C1(O)CN(C[C@H]2C[C@@H]2Cl)C1	1893099432	OWJMWADUJOKKCC-RQJHMYQMSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)C=CC(=O)Cl	1893417575	PXGRTRNQQPXEFK-YFKPBYRVSA-N	218.640	-0.360	50	10	BBGE	
CN1CCC(CO)(NC(=O)CCl)CC1	1893683172	BBRSAPPCBVIVEG-UHFFFAOYSA-N	220.700	-0.202	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	1898604289	XCKUVPPVOYDWML-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)N1CC(F)(F)C1	1902548634	PJSGJHOOHRVWSQ-ZCFIWIBFSA-N	234.011	-0.394	50	10	BBGE	
CC[C@](C)(CN(C)C[C@H](C)CO)C(=O)NN	1902714727	XVSLYGZBNMQMQB-GXSJLCMTSA-N	231.340	-0.047	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cocn1	1913637391	WRYJFLHALMDMLS-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CCCN(C[C@@H]1C[C@H]1C(=O)NN)C1COC1	1915664806	QZVBWXYPSODXNS-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CNC(=O)C2)CC1	1917062343	YLOWFEZPTAVGSV-SECBINFHSA-N	219.244	-0.195	50	10	BBGE	
CC1(C)C[C@@H](O)CN(CCCC(=O)NN)C1	1923155743	RMGHVWOVIRSIMU-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CON(CCO)S(=O)(=O)C(Cl)Cl	1923919182	SENGCOPLPHTCBO-UHFFFAOYSA-N	238.092	-0.067	50	10	BBGE	
NNC(=O)C(=O)NCc1nccc2ccccc12	1925943873	WKWUDGSUTYCASY-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
CC(C)(CN1C[C@@H](O)CC2(CC2)C1)C(=O)NN	1926420438	LIGNDDIPJNBEDX-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
COc1ccncc1C(=O)NNCCO	1927243948	LUBKUOMZHHPVQV-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
COCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1927913121	FRYUFABJMQESLJ-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
C[C@]1([C@H]2CCS(=O)(=O)C2)CC(=O)OC1=O	1928388365	PCGAWIJCUCCEFQ-IMTBSYHQSA-N	232.257	-0.099	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CN(C)C[C@@H]1O	1928757552	FXLBYCJQNSBCGC-PRJMDXOYSA-N	220.700	-0.348	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NNCCO)C1	1929834693	GGDRPZXVECBXCV-MRVPVSSYSA-N	216.281	-0.195	50	10	BBGE	
CN(C)NC(=O)[C@@H](CN)[C@@H]1CCOC1	1930482040	YORDZVJZLPMQRS-SFYZADRCSA-N	201.270	-0.809	50	10	BBGE	
C#C[C@@H]1CCN(CC(=O)NNC(C)=O)C1	1930586393	UAUKJNBZVFPAGH-SECBINFHSA-N	209.249	-0.891	50	10	BBGE	
CN1CCC[C@@H](CC(=O)NNC(N)=O)C1	1931359821	JYGNBLIKVCBLBZ-ZETCQYMHSA-N	214.269	-0.582	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(=O)O)O1	1932846952	YMRVKQGYXZVEJU-YFKPBYRVSA-N	203.198	-0.737	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1COCCO1	1935544797	ADYPUCVHFNDBBK-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H]1CCCN1CC(F)(F)C(=O)NN	1935936135	RDFARMGZSZCEOP-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094769	PUFBHKMMSPSRJM-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
CC[C@H]1CC(=O)CN1CC(=O)NNC(C)=O	1936676545	VPLYSQFWQXPJRQ-QMMMGPOBSA-N	227.264	-0.793	50	10	BBGE	
CC(=O)N1CCc2c(cccc2B(O)O)C1	1937505910	GNKJMDNLJHWTPW-UHFFFAOYSA-N	219.049	-0.729	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](N2CCC2)C1	1940896035	OKXJPJBTMAIJJK-MRVPVSSYSA-N	248.277	-0.608	50	10	BBGE	
CCN(CC)C1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941089660	WYRDRWVOLLWBKL-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2COCC[C@H]21	1941371943	FWRIWRSWZPSLFF-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCNC(=O)CC1	1941630296	BKIMKPGUESHXGG-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
CC[C@H]1C[C@H](N(C)CCOCC(=O)NN)CO1	1941775873	QMRMYTPZAWBGFB-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C=CCOCCOc1cnc(C)c(B(O)O)c1	1944011059	LQAXUUOUBBZJEZ-UHFFFAOYSA-N	237.064	-0.349	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CC(F)C1	1944016094	UTCINPAXBUKUTQ-UHFFFAOYSA-N	238.027	-0.552	50	10	BBGE	
CCC[C@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1945891809	IPJNGIDYSNSNSI-LBPRGKRZSA-N	241.335	-0.007	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)[C@H](C)Cl	1955276386	LCALSIZCSPWVLE-POYBYMJQSA-N	225.672	-0.900	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)[C@H](C)Cl	1955276388	LCALSIZCSPWVLE-XPUUQOCRSA-N	225.672	-0.900	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)C(=O)NN)CC1	1958766887	PXAADLKSRRJJKH-LJGSYFOKSA-N	215.253	-0.950	50	10	BBGE	
CC(C)[C@@H](O)CN(C)CCCC(=O)NN	1960662557	HNHCRAGLKAGNMT-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C)(C#N)C1	1961495560	WCAZVKMTYSOTNY-MRVPVSSYSA-N	210.281	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1961587303	WNSXMOWQWBRQQF-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
COC[C@@H](C)Oc1ccc(B(O)O)cn1	1961713795	VFAMZFJWGLEMTF-SSDOTTSWSA-N	211.026	-0.825	50	10	BBGE	
CCN(CC)c1nc(C)ncc1B(O)O	1961717677	DRRWXFKGFBLFGD-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
COCC(=O)N1CCC(B(O)O)CC1	1964499937	DMYYPQHJCKWAKY-UHFFFAOYSA-N	201.031	-0.902	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cccc(B(O)O)c1	1970062095	CHRGKYLBWXKLLO-SECBINFHSA-N	231.060	-0.492	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)OCCl	1975007230	LQEICMQMRDUPFL-MVIOUDGNSA-N	239.655	-0.989	50	10	BBGE	
CC1CC(n2cc(B(O)O)ccc2=O)C1	1975100545	FZYZSYIUIGKLFW-UHFFFAOYSA-N	207.038	-0.501	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1976387341	JRLKWQZKEBBZGM-HXFLIBJXSA-N	223.276	-0.377	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CSC2)C1	1981410440	ZZSSQIWJZWYVEF-UHFFFAOYSA-N	236.105	-0.685	50	10	BBGE	
CSC1CN(c2nccc(C)c2B(O)O)C1	1981416134	MAAQLTUTRVRJFJ-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
O=C1CN(C(=O)C2COC2)CCN1CCCl	1983272715	JIVLRTGGYGEOJI-UHFFFAOYSA-N	246.694	-0.458	50	10	BBGE	
NC(=O)NNC(=O)c1cccn2ccnc12	1983538239	XJIYVLBZNGLDLP-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
CCS(=O)(=O)N1CC[C@@H](OC)[C@@H](N=C=O)C1	1986272245	KVKIFJMIGZTZEA-DTWKUNHWSA-N	248.304	-0.239	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CN2C	1987530308	VPSDNARXMXUACG-KYXWUPHJSA-N	226.324	-0.611	50	10	BBGE	
CC(=O)NNC(=O)CN=S1(=O)CCCCC1	1990772448	JUALMIACQRACHQ-UHFFFAOYSA-N	247.320	-0.194	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccns1	1991345343	NHURWQZDOOCXBM-ZETCQYMHSA-N	238.077	-0.026	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@@H]2CC[C@H]2C1	1992125408	RHACLCNLRYEFPF-IUCAKERBSA-N	222.053	-0.947	50	10	BBGE	
CCCOCC(=O)Nc1ccc(B(O)O)cn1	1996647241	JVDGWTYVRGYKOK-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1c1noc(C)n1	1997766798	RUUDHEOJPOXCNT-SFYZADRCSA-N	239.279	-0.107	50	10	BBGE	
C#CCC(C)(C)C(=O)N[C@H](CB(O)O)C(=O)O	1998138133	SQDCRELCWZTLFM-SSDOTTSWSA-N	241.052	-0.922	50	10	BBGE	
CC1(C2CC2)CN(c2ccc(B(O)O)cn2)C1	2004921074	RDSHTXBSNZYJNB-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
CO[C@H]1CCN(c2ccncc2B(O)O)[C@@H]1C	2004921255	TXBMWFNJVWFTOA-KCJUWKMLSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(N2CC[C@H](CF)C2)ncc1B(O)O	2005014682	OTEPNDNRUBWBRZ-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)CCOCC(=O)NN	2008385489	FBICQQKZXXUSPU-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H](CO)[C@H]2CC[C@@H]1C2	2008979924	PHMSIGVYZSLYNC-VPJKUYQRSA-N	239.319	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OC)[C@H](OC)C1	2022124770	VAAOWQYRGHYAOI-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
CCC12COC(Cn3ccc(B(O)O)n3)(C1)C2	2025121674	ZJLFUGSUJUPSKW-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
C=CCCC(=O)NCc1ccc(B(O)O)cc1	2025205601	XGMJRDKNFIZXEN-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@H]1C[C@@H]1C(=O)NN)C2	2029479350	MJOGUFYJJZZXML-KOLCDFICSA-N	249.318	-0.367	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C)(N(C)C)C2)n1	2052552725	XATALOWFAPRVEB-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
N#Cc1cc(B(O)O)c(C=O)cc1OC(F)F	2060275744	CMEJNHFMJAECFX-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccccc2B(O)O)CCO1	2079009689	KEEIORQIBIFSOP-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
NNC(=O)C1(CN2CC(CO)C2)CCCC1	2212448429	NTRURCUXJIMHJD-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]2F)c1F	2212603211	DKRQPIXKURLPRU-IYSWYEEDSA-N	228.007	-0.330	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COCCn1cncn1	2215777425	SMOLLTZLGKCSDB-RKDXNWHRSA-N	239.279	-0.689	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@H]1CC[C@H]1C(=O)NN	2215778342	YPOUQNMHPNCHMF-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCOC[C@H]2F)c1	2217176670	ZCYGXPCJSVBEMW-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
OC[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220058601	LYTNUUWIRATCID-GFCCVEGCSA-N	249.119	-0.429	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)[C@@H]1CO	2220060720	YZYRGDQBYABNSR-GXFFZTMASA-N	249.119	-0.431	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1ccno1	2222241130	IUOVKLHSOKOYRL-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2223634140	GVJRGPWSFISCJT-GKNMUACTSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1cccnc1OCC12CCC(CC1)N2	2223646639	NPMVNTDKXORDRI-UHFFFAOYSA-N	248.091	-0.575	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCCC1	2243349861	ROBYIGPTHFMHAF-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccsc1B(O)O	2243360003	ZNVGYURZCDFUJA-VDTYLAMSSA-N	243.068	-0.484	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccsc1B(O)O	2243361759	GULLQAOPZKZWBQ-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
CC(C)NCCCNC(=O)C1(B(O)O)CC1	2243363223	CSANTYOJIRIVLC-UHFFFAOYSA-N	228.101	-0.502	50	10	BBGE	
N#CCC1CN(C(=O)C2CC(B(O)O)C2)C1	2243390776	BDVOZECOHCRBRK-UHFFFAOYSA-N	222.053	-0.389	50	10	BBGE	
CNC[C@H](C)CNC(=O)C1CC(B(O)O)C1	2243391203	HTVZVKLTAWIQME-UEJVZZJDSA-N	228.101	-0.789	50	10	BBGE	
CC(F)(F)[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243401906	YXTLRKWLXCZPQH-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
O=C(NC1CCCC1)c1ncsc1B(O)O	2243408377	MABBZBLZJCYPPP-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)C1(B(O)O)CC1	2243410983	LVTXYUJQQMWBCV-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
N[C@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2243415830	CMYLZLMGTRDLAL-VATVDVGSSA-N	226.085	-0.907	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)CO	2243420084	MGYYLFMEHQNMPW-FXQIFTODSA-N	229.085	-0.628	50	10	BBGE	
COC(C)(C)CC(=O)NCCC#CB(O)O	2244545788	BYAIIKMDQGIIBD-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)C#CB(O)O)C(F)F	2244614397	LLIGRYGEZGYAJF-HTRCEHHLSA-N	233.023	-0.202	50	10	BBGE	
CC(C)[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2247733722	PGYGMFULWMKDTM-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
O=C(Nc1ncccn1)c1csc(B(O)O)c1	2247738762	VKEAUSWCHPCBCG-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](CF)NC(=O)c1cccc(F)c1B(O)O	2247752079	IDDRWQUUJNAJHL-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CCNC1CCN(C(=O)C2(B(O)O)CC2)CC1	2247757450	QZISIYQQKNLWPP-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CC1CC(NC(=O)c2ncccc2B(O)O)C1	2247769042	CWIHASWTIOGZRL-UHFFFAOYSA-N	234.064	-0.710	50	10	BBGE	
CCC(C)(C)N(C)C(=O)c1n[nH]cc1B(O)O	2247781368	KIDCXSGIPJEQHZ-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC=C(CO)CC1	2247792553	TYSJOZLYLHTHQR-AOOOYVTPSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2CC(B(O)O)C2)[C@H]1C	2247797704	MGGGXSCKULMYFL-WHYYCLSJSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]1CCCO	2247799522	DVPJKNVUEBGVJG-IVZWLZJFSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@H]1B(O)O	2247805717	KSUYDBZOVPICQJ-OLFALWBMSA-N	238.096	-0.752	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247806904	GTWMVHGQLGCDIX-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
COC[C@@H]1C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808638	VSHNRDINHCOPNM-IVZWLZJFSA-N	239.080	-0.347	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)o1	2247846329	DSMKDDAPMHRLEH-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)[C@@H]2CC[C@@H]21	2247877346	GRAGTOOUBOAMAY-DTWKUNHWSA-N	238.096	-0.702	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)[C@H]2CC[C@@H]21	2247877347	GRAGTOOUBOAMAY-IUCAKERBSA-N	238.096	-0.702	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)C1CC(B(O)O)C1	2247892793	HZBNMCLEFKYDEI-IDKOKCKLSA-N	240.112	-0.598	50	10	BBGE	
CN(C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895163	PIPRICWSSGQHGZ-BDAKNGLRSA-N	242.128	-0.447	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)O2)[C@H]1C[C@@H]1B(O)O	2247898274	BWFPEKAENOSSKN-NSRVDLHZSA-N	239.080	-0.325	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)CN	2247898850	IDAFCFFTWAHMLQ-TURQNECASA-N	240.112	-0.707	50	10	BBGE	
C[C@H](CN(C)C(=O)C1CC(B(O)O)C1)C(=O)O	2248586038	UTSZILHWAULOMK-JECWYVHBSA-N	243.068	-0.582	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1cocc1B(O)O	2249407840	ODDNWBJLJJYZQW-XVKPBYJWSA-N	237.064	-0.170	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2249419940	NJUONUQDTMDQSO-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)co2)C1	2249420839	ZCMKLYWEVSPOBK-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	2249795038	JNCBDZRKWZXFHR-ABXGFROZSA-N	241.243	-0.949	50	10	BBGE	
CC1(OCC23CC(C(=O)NN)(CO2)C3)COC1	2250804573	OCRIVXBXGFACGO-UHFFFAOYSA-N	242.275	-0.669	50	10	BBGE	
COC(=O)NCc1ccc(B(O)O)c(OC)c1	2251324412	LOFRHHYKAZWULJ-UHFFFAOYSA-N	239.036	-0.769	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1coc(B(O)O)c1	2255454678	XSBJYTKIIANFMH-NXEZZACHSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3occc3B(O)O)C[C@H]21	2255478084	HOKFQFJIVJIGLT-OCAPTIKFSA-N	249.075	-0.313	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H](C)CC#N	2255498183	OLBGQFQEWDNIFB-MRVPVSSYSA-N	249.079	-0.780	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncc[nH]2)c(B(O)O)c1	2255512936	IJSZQUFLLGPSHM-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C1CCCC1	2255517421	VJCGOWQHISELCY-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc(B(O)O)cn1	2255518443	KTJYCUAPOFWDIG-IUCAKERBSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@@H]2CC[C@H]21	2255546417	FFDVBGXMKOXCIC-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1cc(B(O)O)n[nH]1	2255552908	RBCLGTWIVBLGOV-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCCc1ccccn1)[C@H]1C[C@@H](B(O)O)C1	2255557696	HLVVQMBTEOZUND-AOOOYVTPSA-N	248.091	-0.007	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(B(O)O)cc1C	2255677633	JXHKNKDFCLTFRF-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ncncc1B(O)O	2255730026	FCORQEAKGVKNLL-VXNVDRBHSA-N	249.079	-0.973	50	10	BBGE	
C[C@@H](NC(=O)c1ncc(B(O)O)cn1)C1(C)CC1	2255772896	BZDANJMXMXYBLF-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
Cc1ncccc1NC(=O)c1cocc1B(O)O	2258131943	ATGSSKXQVXVODY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C(=O)[C@@H]2CCC[C@@H]21	2258152914	LOZCVEMWJUIZJV-SFYZADRCSA-N	249.031	-0.890	50	10	BBGE	
CC(=O)N1CCN(C(=O)CCl)C[C@@H](CO)C1	2296574110	CNZKXOWTYGQYJD-VIFPVBQESA-N	248.710	-0.476	50	10	BBGE	
CC[C@H]1CNCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369475	VUWFHUNDFXSJIV-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377490	SPWUWNZMSHGATH-BGZDPUMWSA-N	241.096	-0.485	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCCN(C)[C@H]2C1	2299140240	QNGKWBGLDJJLDH-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CN1CCC[C@]1(C)COCCOCC(=O)NN	2300064698	BAJHIICYHPUAEN-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@H](CO)N(C)c1cc(B(O)O)ccn1	2302490445	GANKKBSAJMQMIN-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
C[C@H]1[C@H](C)N(CCOCC(=O)NN)CC[C@H]1O	2304190805	PNFQVCUJVLDTQL-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2312857205	ZVUGHPXJYRWDLA-HLTSFMKQSA-N	249.075	-0.122	50	10	BBGE	
OB(O)c1ccc(OCC23CC(CCN2)C3)nc1	2314968646	YZOSTDNDHGPXHG-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCOC1CC1	2317164889	FLPBCZJOYSPFAT-UHFFFAOYSA-N	246.075	-0.171	50	10	BBGE	
O=C(NNc1ncccn1)c1ccc[n+]([O-])c1	43731228	DTTFFWZMBLJIPW-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H]1CCO	58845791	LDOIQTOYYMBICN-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CN(CCO)Cc1ccc(C(=O)NN)s1	82468864	NRRDCBODQOYQQC-UHFFFAOYSA-N	229.305	-0.224	50	10	BBGE	
C[C@@H](CN1CCC[C@H](N)C1)C(=O)NN	82470177	YHXMAMICSUVDGG-YUMQZZPRSA-N	200.286	-0.965	50	10	BBGE	
CCNC(=O)CN(C)C(=O)CBr	82510739	OROPUDGDFXLNJP-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
C[C@@H](CC(=O)NN)SCCS(C)(=O)=O	82514828	PBDDOKJHPUCHGJ-LURJTMIESA-N	240.350	-0.467	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(N)CC1	86313655	QPHDYJLDTQGSHW-HTQZYQBOSA-N	214.313	-0.576	50	10	BBGE	
CC(C)OCCN1CC(=O)OC(=O)C1	159364728	COXFMGAMZHQPJO-UHFFFAOYSA-N	201.222	-0.203	50	10	BBGE	
CC[C@@H](B(O)O)N1CC[C@](N)(CC)C1=O	205964531	HUOKOGYFAKXCGK-IONNQARKSA-N	214.074	-0.883	50	10	BBGE	
CN(C)CCCOc1ccccc1B(O)O	228684414	YWBGOCQGHARRJS-UHFFFAOYSA-N	223.081	-0.303	50	10	BBGE	
CC(C)(CN1CC[C@](C)(O)C1)C(=O)NN	232517161	HMLLRQTUWRRZSF-JTQLQIEISA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](CN1CC(=O)OC(=O)C1)OC	234686158	PLISRLVYZUBDRJ-SSDOTTSWSA-N	217.221	-0.967	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC([C@H](C)O)CC1	234706211	PSMNAPNXPOSHNG-WPRPVWTQSA-N	245.323	-0.916	50	10	BBGE	
NC(=O)N/N=C/c1c[nH]c2nccnc12	238566317	JMLLGIRCBKDRGO-YIXHJXPBSA-N	204.193	-0.040	50	10	BBGE	
O=c1[nH]c2ccc(F)cc2cc1B(O)O	238642800	IXERKICZWHTMIH-UHFFFAOYSA-N	206.969	-0.653	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](C)COC	251190371	CGHMUHNIFHVOQH-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
Nc1ccc2sc(B(O)O)cc2c1O	307021166	ATOITXWEWVVPEN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1NCCN2[C@H](Br)CN[C@@H]12	307226651	VVWCCHGFURZHRO-CRCLSJGQSA-N	220.070	-0.932	50	10	BBGE	
C[C@@H](Cl)c1nc(N)nc(NCC(N)=O)n1	307443569	OELQWYKBLXJMJG-GSVOUGTGSA-N	230.659	-0.349	50	10	BBGE	
CC(=O)NNS(=O)(=O)CC1CCC1	308159814	UINLGNAYTSFGOV-UHFFFAOYSA-N	206.267	-0.243	50	10	BBGE	
NCC(=O)NN=Cc1ccc(O)c(O)c1O	309206204	CKXXKMRDQMPRJO-UHFFFAOYSA-N	225.204	-0.788	50	10	BBGE	
CC[C@H](O)C(=O)NNc1nncc(N)c1Cl	309294316	RCSOLTZAJXPUFX-YFKPBYRVSA-N	245.670	-0.074	50	10	BBGE	
C[C@H](CN1CCC[C@H](O)CC1)C(=O)NN	378810202	ZULNSUBHFMOTHJ-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
OC[C@H]1CSCN1C[C@H](O)CCl	379321829	FTKVLEXMAQXMKZ-NKWVEPMBSA-N	211.714	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](CO)CC1	382111260	KMSVJDQTUVYFPO-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
NCCC(CCC(=O)O)=NNC(N)=O	383963976	JBGNWZMFVBKVLJ-UHFFFAOYSA-N	202.214	-0.776	50	10	BBGE	
COc1cnn(Cc2ncccc2C(=O)NN)c1	385443469	BFRFSHHCDNZZNX-UHFFFAOYSA-N	247.258	-0.062	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@@H](C)C(=O)NN	389375994	ASCLBFKOVQLYLN-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
CC(C)(CCn1ccc(O)nc1=O)C(=O)NN	395613346	LEVBCZXCQTTWJV-UHFFFAOYSA-N	240.263	-0.645	50	10	BBGE	
OCc1c(B(O)O)cc2sccc2c1O	396351666	XNUVAVUBIYFNKY-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OCc1cc2c(B(O)O)ccc(O)c2s1	396352092	YIYFMXAQKSHVGM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1cccc2sc(O)c(B(O)O)c12	396374846	BZRGUDMYHALMOW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C[C@@H](C)C(=O)NN	399407856	JCURYYHQKAUTPL-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCCOC1	401635342	XVUSMLRDAJUWJG-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cc2)on1	404921860	VTYAFCZLSKLBEI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCN(CC)C(=O)Nc1ccnc(B(O)O)c1	405124969	NNMUBNSROJRBJP-UHFFFAOYSA-N	237.068	-0.365	50	10	BBGE	
CN(NC(=O)/C=C/c1cncc(O)c1)C(N)=O	492436626	HHWJHRAOUADDDW-NSCUHMNNSA-N	236.231	-0.158	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CCCC1	504153082	SPXZUVOEUOUOLW-UHFFFAOYSA-N	237.039	-0.259	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1C[C@@H](C)C(=O)NN	688754639	KRKLBHMWIFKVFD-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CNCc1nnc(N2CCC(O)(C#N)CC2)o1	692087418	YGZRIJSFLYNIOU-UHFFFAOYSA-N	237.263	-0.356	50	10	BBGE	
C[S@](=N)(=O)N1CCC(O)(C#N)CC1	692102073	CPUJLCRXRQFPHS-CYBMUJFWSA-N	203.267	-0.072	50	10	BBGE	
CCN(C[C@H](C)O)[C@H](C)CCC(=O)NN	692173783	TWYIIEOJBWIUNS-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21	693088855	IWMFPTAQZIHIBY-RGOKHQFPSA-N	241.335	-0.154	50	10	BBGE	
Cn1nnc(C(=O)N2CCO[C@@H](CCl)C2)n1	697213026	PMROQAQOVNMJPV-LURJTMIESA-N	245.670	-0.710	50	10	BBGE	
NNC(=O)c1cccc(OCCn2ccnn2)c1	699022519	YHNVPJOEEUKPND-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2C[C@H]2C1	699269628	LIZFBDVXNKAPFW-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
CNC(=O)CN1CCN(C[C@@H](Cl)C#N)CC1	700825644	FQRIJRSYUCPWOD-VIFPVBQESA-N	244.726	-0.519	50	10	BBGE	
CCOC(C)(C)COc1cncc(B(O)O)c1	702686315	HTKPZFVPJPEPKP-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CN(CC1(C)COC1)CC(C)(C)C(=O)NN	702967483	AFPZUVHJJQAGNM-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708050557	JBRLDQGFFYENAV-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CCN1C(=O)CN(CC(C)(C)C(=O)NN)C1=O	708328959	AVWZJCQGOJDBFJ-UHFFFAOYSA-N	242.279	-0.713	50	10	BBGE	
CCN1CC[C@H]1CN1CC(=O)OC(=O)C1	712315247	PACCXTKSHCSPIJ-QMMMGPOBSA-N	212.249	-0.534	50	10	BBGE	
O=C1CN([C@@]23CCCN(CC2)C3)CC(=O)O1	714907495	SJKDNQAJGSKRSK-NSHDSACASA-N	224.260	-0.390	50	10	BBGE	
Cc1cn(C)nc1CN(C)CC(=O)NN	723524693	SIPRZKRYRWJQAS-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
COc1ccc(NNC(=O)CC(N)=O)nc1	781521677	VBPUVNIDVKYEIR-UHFFFAOYSA-N	224.220	-0.591	50	10	BBGE	
CC(=O)NNC(=O)[C@]12C[C@H]1COC2(C)C	854155940	ZJQSJWNREOIKGT-XVKPBYJWSA-N	212.249	-0.031	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1nnc(C)n1C	856046169	YTAQNCVPJADHDR-SSDOTTSWSA-N	237.263	-0.395	50	10	BBGE	
Cc1nnc(NNC(=O)C(C)(C)CO)n1C	856046233	BKHARWMSQOISCH-UHFFFAOYSA-N	227.268	-0.415	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)[C@H]1CCCO1	857170693	RVONFEKYANWRID-HTQZYQBOSA-N	230.264	-0.669	50	10	BBGE	
COC(=O)N(C)NC(=O)Cn1cncc1C	861656262	FHQKVUJAYPUAOJ-UHFFFAOYSA-N	226.236	-0.079	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2	930733802	GLSKXDDELXLENQ-GJMOJQLCSA-N	225.248	-0.320	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1cccnn1	1153523865	MYJNGVBZMMFPQD-LTMVXPGCSA-N	236.231	-0.825	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC/C=C\C1CC1	1229247896	DCQQNJPMFGYQHB-IHWYPQMZSA-N	241.247	-0.544	50	10	BBGE	
Cc1nnc(NNC(=O)C2CCOCC2)n1C	1331794059	IAYYGOLXQKUJRJ-UHFFFAOYSA-N	239.279	-0.007	50	10	BBGE	
Cn1nncc1NNC(=O)CC1(C#N)CC1	1347987496	DWULPUPHCBYZCV-UHFFFAOYSA-N	220.236	-0.048	50	10	BBGE	
COc1c[nH]c(C(=O)NNC(C)=O)cc1=O	1539518671	VLHBLALFUVEGBM-UHFFFAOYSA-N	225.204	-0.836	50	10	BBGE	
Cn1nnnc1CNC[C@H]1C[C@H]1Cl	1883552166	LUZBYHJJMNPQPZ-PHDIDXHHSA-N	201.661	-0.073	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1883647987	TXYOBTWEKHYDHN-QQTLEDFYSA-N	203.625	-0.100	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OCC[C@@H]1F	1885220508	UBSHSJRMQGTAQN-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
Cn1nnc(=NCCSSCCN)[nH]1	1885645947	NYKPTSOTRUBPQM-UHFFFAOYSA-N	234.354	-0.616	50	10	BBGE	
O=C(O)CN1CCN(C(=O)F)CC1=O	1887187572	DPKWJVKEOAWSOS-UHFFFAOYSA-N	204.157	-0.695	50	10	BBGE	
O=C(N[C@]1(CO)CCNC1)[C@H]1C[C@H]1Cl	1893471012	YQGGUGLZBHACOW-LKEWCRSYSA-N	218.684	-0.546	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1(CCO)CC1	1896511005	RXMSNKCONVZGAQ-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(C(=O)C=CC(=O)Cl)C1	1897219018	AGRUDHLXJXWBSI-HTQZYQBOSA-N	247.678	-0.084	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)C[C@@H]1CO	1899605339	IXZNMIIWXHBLDU-SFYZADRCSA-N	221.684	-0.041	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCCC(N)=O)C1	1902517748	LGOINEOQWHHVAW-SNVBAGLBSA-N	228.101	-0.419	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	1904703626	FUIMYMLHUFUZQZ-DJLDLDEBSA-N	228.101	-0.742	50	10	BBGE	
CC1(C)CN([C@H]2CCN(C(=O)NN)C2)C1	1910725288	NFGAOQISDSFZDP-QMMMGPOBSA-N	212.297	-0.014	50	10	BBGE	
CCc1nn(C[C@H](C)C(=O)NN)c(=O)n1CC	1912243148	MNPMOIGLAVRILO-ZETCQYMHSA-N	241.295	-0.747	50	10	BBGE	
COC(=O)CCSC[C@@H]1C[C@H]1C(=O)NN	1927918695	WCYSTJOIAZXFHS-NKWVEPMBSA-N	232.305	-0.091	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@H]21	1930484195	LUXPTXIGRGJJOL-DJLDLDEBSA-N	213.281	-0.809	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C(C)(C)O)C1	1932095969	FCNUZQKBZNHNSF-MRVPVSSYSA-N	215.297	-0.542	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)NNCCO	1934072854	AMRQYWSAANCYBM-SECBINFHSA-N	201.270	-0.916	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)[C@@H]1C(=O)O	1934602696	NHVYPGPQGCJPQH-WDSKDSINSA-N	201.226	-0.423	50	10	BBGE	
CO[C@H]1CCCN(CC(F)(F)C(=O)NN)C1	1935946046	YHBVUQZGOXJBRA-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1C	1936095322	VYVCAKPXSHWALK-KATARQTJSA-N	227.308	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)(C)C)OC	1937152420	FTTOPNCVSQCMFC-QMMMGPOBSA-N	233.312	-0.099	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](O)(C(C)C)C1	1937982000	QVXNKWOHYYZTCP-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H](CO)CC1	1941090730	QKTHQTYRGKUUED-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
N#CC1(O)CCN(C[C@@]23CN[C@@H](CO2)C3)CC1	1942976093	HSZFCOVZIAALSS-ZYHUDNBSSA-N	237.303	-0.532	50	10	BBGE	
Cc1cc(CN2CC[C@@H]2CO)oc1C(=O)NN	1944080533	QLNPYEUSDXUXEE-MRVPVSSYSA-N	239.275	-0.242	50	10	BBGE	
O=C1CN(C(=O)CBr)[C@@H]2CC[C@H]2N1	1953945339	CJQRVNSBBXJKBW-PHDIDXHHSA-N	247.092	-0.129	50	10	BBGE	
CC[C@H](O)CN(CC(=O)NN)C1CC1	1956057711	FRWXNYYFJHIQKB-QMMMGPOBSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)N[C@H]1CCN(C[C@H](O)CCl)C1	1956252923	WFSRMARGJGOXTR-NKWVEPMBSA-N	221.688	-0.671	50	10	BBGE	
CN1CC[C@@H](N(C)C[C@@H](O)CCl)C1=O	1956256380	NGSYMHTYOUKPSK-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
CNC(=O)C1(N=c2[nH]nc(CCl)o2)CC1	1958555835	PHQRZLHLKZWXGE-UHFFFAOYSA-N	230.655	-0.079	50	10	BBGE	
CC[C@H](O)CN(CC)[C@H](CC)C(=O)NN	1959510523	DLRWMRHBNWCYJV-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@](C)(C#N)C1	1961472056	IRJBZULEPAGUCY-PSASIEDQSA-N	210.281	-0.010	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12CC[C@@H](CO1)C2	1967589651	ZDUPAPNSROZOCF-YWVKMMECSA-N	239.080	-0.369	50	10	BBGE	
CN(C[C@@H]1CCc2nncn2C1)C(=O)NN	1976568870	YNGMHDDZSULVDH-ZETCQYMHSA-N	224.268	-0.644	50	10	BBGE	
CCC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CC1	1976991667	OUAIOBQFQOLEDI-LURJTMIESA-N	229.041	-0.781	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CCC1	1977122341	OOEYKQQBJOBKMO-UHFFFAOYSA-N	220.037	-0.396	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(F)C2)n1	1980591713	BFACXASWLFUDFC-UHFFFAOYSA-N	227.243	-0.823	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H]1[C@@H]1CCOC1	1981082480	KJBKJGJAHSJIQN-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
Cc1cc(N2CC[C@H](F)C2)ncc1B(O)O	1981469050	LWZPFQGBKKXJAK-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCO[C@@H]12	1983237793	DESBDQPHCPIYDQ-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CN1C[C@@]2(F)CCC[C@]2(CO)C1	1983343538	FFPOOJWDVOMFIA-ZJUUUORDSA-N	231.271	-0.837	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC[C@H]2O)C1	1984543354	SGXUZDCZNZSUHY-ZCFIWIBFSA-N	235.234	-0.932	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]1[C@H](C)O	1985571140	GPKMRXHFLLSIOZ-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H]1CF	1985767861	SFQLQUFLVBFLHZ-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CO[C@@H](C)COc1ccc(B(O)O)c(C)n1	1986049082	MRZJHAPQNWGDSJ-ZETCQYMHSA-N	225.053	-0.516	50	10	BBGE	
C[C@@H](OC[C@@H](C)N1CCOCC1)C(=O)NN	1987275031	VDCXCAYRJOZRFF-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C(=O)C=CC(=O)Cl	1991650984	QGSGDVVANOGDOS-OIBJUYFYSA-N	247.678	-0.348	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@]2(CO)C[C@]2(CO)C1	1991686008	NYIYVFHSTQWBMW-OYBPUVFXSA-N	245.706	-0.183	50	10	BBGE	
C=C(CN(C)Cc1ccc(C)nn1)B(O)O	1992158905	DVXRUKVGAJMPOP-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1ncccc1C(=O)NN	1996577454	WOUZXUHZXWSBBD-SSDOTTSWSA-N	234.259	-0.194	50	10	BBGE	
C[C@@H](CN1C(=O)CC(F)(F)CC1=O)C(=O)NN	2001019070	XSBLGMGICAEJDW-YFKPBYRVSA-N	249.217	-0.603	50	10	BBGE	
CC[C@@H](COC)Oc1nc(C)ccc1B(O)O	2004928980	HTXOCAIJZXLWQT-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
Cc1cc(OC[C@H]2CCCO2)ncc1B(O)O	2004929402	KSKYOTYNGAFFFF-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(F)c(B(O)O)c1	2005067794	LJYOKRDXDZDHGH-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006197106	FMMPDMRUSIYOQR-MFDAYCCISA-N	241.335	-0.175	50	10	BBGE	
CC[C@@]1(C)CCN1c1ncc(B(O)O)c(C)n1	2007183429	BROPSPFWBXUTAC-NSHDSACASA-N	235.096	-0.156	50	10	BBGE	
N#CC1(O)CCN(c2ccnc(C(N)=O)n2)CC1	2039644805	WNGVZKKGHZHRHE-UHFFFAOYSA-N	247.258	-0.570	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ncc(B(O)O)c(C)n1)C2	2052560261	VKVPVKDVHWXWBA-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@H]1C[C@@H]1C1CC1	2058156313	SQSGXZFTAFWEKM-CMPLNLGQSA-N	247.103	-0.036	50	10	BBGE	
CCOc1c(C#N)cc([N+](=O)[O-])cc1B(O)O	2060212014	LUGWFBRZJKLELL-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CCc1c(C#N)ccc(OC)c1B(O)O	2060261917	FCGZMNSMYAOVNT-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1nc(NC(=O)C2[C@H]3CC[C@H]23)ncc1B(O)O	2069481155	QGEMFPJUWXIUBK-BQBZGAKWSA-N	247.063	-0.941	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@]23CCOC3)c1	2077711320	UQEDWIWHQUJDJZ-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)c1ccccc1B(O)O	2079011634	HCTIROIKMWLENP-WDEREUQCSA-N	249.075	-0.990	50	10	BBGE	
CCc1conc1C(=O)N1CC[C@H](B(O)O)C1	2208731590	IGKNFAIKVIWQNN-QMMMGPOBSA-N	238.052	-0.074	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(F)C1	2209905788	CPYIIPAFCHPUET-SVRRBLITSA-N	201.245	-0.344	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](CO)CC1CC1	2210716667	LWEMCAAXWQFEFL-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(O)CNc1nccc(B(O)O)c1F	2212606612	WXLQUQDPGUXWDE-UHFFFAOYSA-N	228.032	-0.917	50	10	BBGE	
CC[C@H](CNC)Oc1cc(B(O)O)ccn1	2212607112	FZQNRHQQFZLCEO-SECBINFHSA-N	224.069	-0.862	50	10	BBGE	
CC1(CO)CN(Cc2cccc(B(O)O)c2)C1	2214592995	NGGYOYMNQPUURC-UHFFFAOYSA-N	235.092	-0.819	50	10	BBGE	
CN1CC[C@@H](COc2ccc(B(O)O)cn2)C1	2215659935	GRIDMTKUJUDXOF-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1CC[C@@H]1C(=O)NN	2215776399	MNPCVFJGFISZKI-ZNSHCXBVSA-N	238.335	-0.609	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@H]1CCNC1	2217172651	LJXNKRUXIZVQND-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
N[C@H]1CCC[C@H](Oc2cc(B(O)O)ccn2)C1	2217187243	VOYRVGLKJTYYKV-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCC23CC3)nc1	2217199057	JXUZABPIDRLSNR-SECBINFHSA-N	233.080	-0.099	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@]12CCOC2	2217200235	IUAXULGJQCDYBT-MWLCHTKSSA-N	234.064	-0.648	50	10	BBGE	
CC[C@]1(Nc2cc(B(O)O)c(C)cn2)CCNC1	2223640548	MAXJBVZKCXKBTF-LBPRGKRZSA-N	249.123	-0.376	50	10	BBGE	
NC[C@H]1CCCCN(c2ncccc2B(O)O)C1	2223666958	OXZVHVWTFYAITA-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
CCc1ncc(CNc2ccc(B(O)O)cn2)[nH]1	2223679557	QYHRGZVQKJVJEM-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
COC(=O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243347015	GMQRAGZRNGDFGX-ZCFIWIBFSA-N	229.041	-0.939	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CCCC[C@H]21	2243356259	DWOWYHJCWWNKHC-NXEZZACHSA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(C(=O)C#CB(O)O)[C@@H]1C	2243357074	QSZDYFCUTGKTAJ-KXUCPTDWSA-N	223.081	-0.105	50	10	BBGE	
O=C(NCCc1cnc[nH]1)C1(B(O)O)CC1	2243364477	XPJSSCHMDBVDDM-UHFFFAOYSA-N	223.041	-0.925	50	10	BBGE	
Cc1nccnc1NC(=O)C1(B(O)O)CC1	2243366159	YBZMPHRFAIVSPO-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
C[C@H]1CCN(C(=O)c2csnc2B(O)O)C1	2243378665	XJNSIRZECVAUHD-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)sc1C	2243385771	OBZYCIKRZSRVLP-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCO[C@H]2C[C@H]21	2243391600	MLAPUVRIWDTWLI-YNTFGVKOSA-N	225.053	-0.761	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392560	UZIRMHDPQNPYLV-FNCVBFRFSA-N	227.069	-0.610	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)COC1	2243396777	QQKNSGARHMDDRX-JGVFFNPUSA-N	227.069	-0.608	50	10	BBGE	
CC(C)(CCO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243396810	QYBVBAXEFLXJKF-JGVFFNPUSA-N	229.085	-0.626	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]12CCOC2	2243426038	DEJYKYDGYSYSJP-KHQFGBGNSA-N	225.053	-0.759	50	10	BBGE	
C=CCC(=O)Nc1nc(B(O)O)ccc1Cl	2243686828	QECGSTHUVWJZLX-UHFFFAOYSA-N	240.455	-0.071	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@H]1Cl	2243698379	RQIGFCJGUKVDFE-NKWVEPMBSA-N	240.455	-0.673	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243752932	OOGWIOZYCSZFLG-WATHFIQWSA-N	229.041	-0.781	50	10	BBGE	
Cc1ncsc1C(=O)NCCC#CB(O)O	2244549041	XOGHVODKLMKPLP-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
CCCC1(OCCOCC(=O)NN)COC1	2245005368	ZRFWTFYCJBYZRB-UHFFFAOYSA-N	232.280	-0.421	50	10	BBGE	
C=CC(=O)NCc1ccc(B(O)O)c(C)c1	2245265326	BUSVHLGATFXUTB-UHFFFAOYSA-N	219.049	-0.523	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CO)c1ccccc1	2246301749	IWXVQHFJVQJIRF-JTQLQIEISA-N	223.276	-0.358	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247741418	ZHONECTYEJCWCJ-VIFPVBQESA-N	234.064	-0.918	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)C#CB(O)O)CCO1	2247742588	QTLJNURYQUOWAN-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
O=C(NC[C@@H]1NC[C@H]2C[C@H]21)C1(B(O)O)CCC1	2247750389	IULQSEPCDKYXST-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@@H]21)C1(B(O)O)CC1	2247755468	JZUYEKYJZVPZBP-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
O=C(N1CC[C@@H](O)CC12CC2)C1(B(O)O)CC1	2247756391	LUIMNNWKPNBEON-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
CC1(CN)CCN(C(=O)C2(B(O)O)CC2)CC1	2247756779	NUYHHGKJQBOBOC-UHFFFAOYSA-N	240.112	-0.419	50	10	BBGE	
O=C(NCc1cccc(O)n1)[C@@H]1C[C@H]1B(O)O	2247792738	UUDQZGOSGPSCEC-HTQZYQBOSA-N	236.036	-0.734	50	10	BBGE	
CC[C@@](C)(NC(=O)C1CC(B(O)O)C1)C(N)=O	2247797437	JPPZRMWTTZRPKT-HNQUHTCLSA-N	242.084	-0.990	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807204	QEICDQRHNJYGNM-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2247807707	IWVWNKQFQFYLSI-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
CO[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)C1(C)C	2247850131	KFSALUODUGPOEP-IUCAKERBSA-N	239.080	-0.726	50	10	BBGE	
O=C(N1CC[C@H](O)[C@H](F)C1)C1(B(O)O)CCC1	2247854397	CBGRXOUPSQJLBT-SFYZADRCSA-N	245.059	-0.685	50	10	BBGE	
O=C(N1CC=CCC12COC2)C1(B(O)O)CC1	2247873590	KCMOCFXIPCKZGN-UHFFFAOYSA-N	237.064	-0.449	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897054	NMZCJLHTIHWVBO-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@]1(CF)CCNC1)[C@H]1C[C@@H](B(O)O)C1	2247908837	ATGBRWVQRAWKIY-KHQFGBGNSA-N	244.075	-0.943	50	10	BBGE	
O=C(NCCCC1CNC1)C1CC(B(O)O)C1	2247908962	CKLAEEFIZOLAGM-UHFFFAOYSA-N	240.112	-0.645	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@H]1N	2247910638	QMPMFMZYMQZGJH-SEZDTBSWSA-N	240.112	-0.565	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N[C@@H]1C[C@@H]1F	2247947187	RZGQCGQOLKWPIL-DTWKUNHWSA-N	238.027	-0.402	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H]2COC[C@H]1C2	2249923516	WPZHUKXWSYWHJA-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2255463475	JKEIAVHCRKMECW-JTQLQIEISA-N	248.091	-0.528	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2255466907	GEZNUCQOHGDHPQ-SFYZADRCSA-N	248.047	-0.619	50	10	BBGE	
CNC(=O)c1cccc(NC(=O)C#CB(O)O)c1	2255469606	RJEKKEUCJOKEOH-UHFFFAOYSA-N	246.031	-1.000	50	10	BBGE	
Cc1cc(C(=O)N(C)CCC#N)ccc1B(O)O	2255508768	CXTXFXXCYVHWLS-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1nc[nH]n1	2255511783	OTZSETFGGHHPJL-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2cn[nH]c2)c1	2255513781	XPIBDPRYWFHYHX-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H](C)CC#N	2255514942	PZFVVCYBLKBZMQ-MRVPVSSYSA-N	246.075	-0.293	50	10	BBGE	
CN(C(=O)c1ncncc1B(O)O)[C@H]1CC1(C)C	2255734313	YUZGZRQBCADOOY-QMMMGPOBSA-N	249.079	-0.973	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(F)cc1B(O)O	2255744305	KHBVMLHUSCYEHP-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
OB(O)c1cnccc1OC1(C2CCC2)COC1	2260131732	IPOYIIYSASQOBL-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
CN(CC[C@H]1CCO1)Cc1ccc(B(O)O)cc1	2263977724	WTFGKYJKMLXPLT-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
O=C(N=c1[nH][nH]c2ccccc12)[C@H]1C[C@@H]1B(O)O	2264227815	LKWVDQNEPVGLHI-YUMQZZPRSA-N	245.047	-0.214	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164782	INJZRQQDZCGROP-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@@H]2C[C@H]2N)cc1B(O)O	2298224522	LSSFMTQIMBLPSX-OYNCUSHFSA-N	236.080	-0.816	50	10	BBGE	
COC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368692	SJVUQKYYSUXDCE-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375255	BTMFFGCUFBMJQI-XFWSIPNHSA-N	240.112	-0.648	50	10	BBGE	
C=CCN(OC)c1ccc(B(O)O)cc1C#N	2301346792	UUONEZVBCZEQOY-UHFFFAOYSA-N	232.048	-0.208	50	10	BBGE	
CC=C(C)C(=O)NCc1cccc(B(O)O)c1	2301710672	MHZZHVBPIJIXOG-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317305838	GQZQJFVATRTXOC-RYUDHWBXSA-N	249.075	-0.232	50	10	BBGE	
Cc1cnc(OCC2[C@H]3COC[C@H]23)c(B(O)O)c1	2318950785	BJGSZCKGDQJQCP-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ncccn1	2327894691	VOSSZWMGWBNWJZ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCOCCC(=O)NNC(=S)NC(C)=O	14663556	IZPZUNGYTCRWDC-UHFFFAOYSA-N	233.293	-0.545	50	10	BBGE	
C[C@@H](CSS(=O)(=O)O)NCCCN	31332120	YYRMCWSCVSQOOM-LURJTMIESA-N	228.339	-0.151	50	10	BBGE	
CN(C)C1CCN(CCC(=O)NN)CC1	82467657	WXWHUARCVFYRRD-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](CN1CCC(N)CC1)C(=O)NN	82470854	YFDRESQNPLXSDG-ZETCQYMHSA-N	200.286	-0.965	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cnc(C#N)n1	86313830	QNBPALUZBKRCDH-NTSWFWBYSA-N	208.225	-0.663	50	10	BBGE	
CSCC(=O)NNC(=O)Nc1cn[nH]c1	89594182	ZEUNZCGUKHDLQF-UHFFFAOYSA-N	229.265	-0.075	50	10	BBGE	
Cc1cc(C)c2c(c1)C(=O)C(=O)N2CC(=O)NN	111237004	AWYJCLVMHPUJSO-UHFFFAOYSA-N	247.254	-0.177	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)[C@H]3C[C@@H]3C2=O)c1	113667878	YNCIUHRAXWLFOM-YUMQZZPRSA-N	249.226	-0.612	50	10	BBGE	
Cn1cnn(C[C@@H](Cl)C(=O)O)c1=O	132876121	JKFWNJQAHHUSFP-SCSAIBSYSA-N	205.601	-0.726	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)[C@H]1COCCO1	137122581	PZHMBQYXKVEXEP-JGVFFNPUSA-N	237.683	-0.228	50	10	BBGE	
O=C(CCl)Nc1cccc(B(O)O)c1	169879884	DELLZUVVNCCJSW-UHFFFAOYSA-N	213.429	-0.456	50	10	BBGE	
C[C@@](CO)(CNC(=O)CCl)CC(=O)O	170313815	QJIISACTMQNFNC-QMMMGPOBSA-N	223.656	-0.185	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H]1C	211986877	FOFVBRBWPKTJCB-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCC)CC(=O)NC	212114452	JJXJOJHCJYNRHQ-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H](N)C2)n1	236233257	XAQQHUQDMQWTNU-QMMMGPOBSA-N	235.291	-0.782	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC[C@H](C)O	253031663	SEBLMQFJKGBYFM-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
C#CCN(CC#N)S(=O)(=O)CCl	300768601	PJAAPMXEHVQDOF-UHFFFAOYSA-N	206.654	-0.029	50	10	BBGE	
COC(=O)[C@H]1SCC/C1=N\NC(N)=O	306869615	SZBJVNNNRYWTCH-TZLATDIOSA-N	217.250	-0.311	50	10	BBGE	
OB(O)c1cc(CN2CCC2)ccc1F	307486744	BMMPJUMSCNCTMH-UHFFFAOYSA-N	209.029	-0.289	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	321340552	BMFHICGRVMKGQJ-RNJXMRFFSA-N	231.321	-0.819	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](O)CC1	381971703	CCNJGLNMAKUNFR-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1cccc(B(O)O)c1	383889692	UOORYXIACINSMS-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCCCO	384822781	OQDDBJJFKYMEKX-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H](CO)N(C)[C@H](C(=O)NN)C(C)(C)C	395593388	NGOBSDJVPKJOMQ-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCO[C@@H](CO)C1	395614752	NKRNPFRHTCMQDH-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
O=C(O)Cc1ccc2oc(B(O)O)nc2c1	396112388	LYNDAGHZNRKXQY-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)[C@@H](CC)CO1	403817766	MIFZHEPZTXKPHM-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CCCC1	405011871	XTQYSRKQXVICEO-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CCCS(=O)(=O)Nc1ccccc1B(O)O	405014030	CRUVAEKAVDDLBD-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@H]1CO	642856383	HVOCIQACZQEAAS-ZETCQYMHSA-N	206.673	-0.640	50	10	BBGE	
Cc1cccc(CCNC(=O)C(=O)NN)n1	689420704	DRGPFIKYIJNREV-UHFFFAOYSA-N	222.248	-0.961	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@H]1O	689814347	GENDHAHOOKRHSR-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2CC(N)C2)CC1	693548309	VFOYSVCCNZCYSF-UHFFFAOYSA-N	223.276	-0.399	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@H]21	700622491	WJOTVWJUSFALGR-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1CC12CC2	705172880	DYYPKWCOTWYXFW-NSHDSACASA-N	245.087	-0.217	50	10	BBGE	
CC[C@@H](Sc1nnnn1CC)C(=O)NN	706553578	QIJCBIJMMCSEBL-RXMQYKEDSA-N	230.297	-0.446	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708050412	HPPPLMSPBWIGOD-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CC1(C)C[C@H](C(=O)NCB(O)O)C(C)(C)O1	710293130	RHRVRUYKXPQWIM-SSDOTTSWSA-N	229.085	-0.292	50	10	BBGE	
CN(C)C[C@@H](CO)NC(=O)CBr	716787867	ZJZHZDPSRRRING-LURJTMIESA-N	239.113	-0.580	50	10	BBGE	
OB(O)c1ccccc1OCC[C@@H]1CO1	718540541	DWCXGFJUJJNVAU-MRVPVSSYSA-N	208.022	-0.466	50	10	BBGE	
CCOC(=O)NCc1cnc(B(O)O)s1	718813178	CSJWFWFHDUXBKX-UHFFFAOYSA-N	230.054	-0.931	50	10	BBGE	
COC[C@@H](Cn1cc(B(O)O)cn1)C(C)C	721723817	HYBHBXBJJYITRC-SECBINFHSA-N	226.085	-0.519	50	10	BBGE	
Cc1n[nH]cc1C=NNC(=O)[C@H]1COCCO1	745206939	FEEZYZVBMIWTSF-SECBINFHSA-N	238.247	-0.416	50	10	BBGE	
CO[C@@H](C(=O)NNC(C)=O)[C@@H]1CCOC1	1261661064	FGDRUOHFQKWRCE-HTQZYQBOSA-N	216.237	-0.795	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1cnsn1	1303455318	APLQARSUPVPKKW-VROIDLATSA-N	242.260	-0.764	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H]1C1CC1	1321102875	FXXMEBMCHIJJEF-NKWVEPMBSA-N	241.247	-0.712	50	10	BBGE	
NC(=O)CCCCC(=O)NNc1cccnn1	1325944315	UDIZOFJPPFWMNH-UHFFFAOYSA-N	237.263	-0.035	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2cnn[nH]2)co1	1464921062	RTNNVGLZELCRCA-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC[C@H](C(N)=O)C1	1464955042	URXJNACHVIISQS-FZGDARCMSA-N	237.259	-0.236	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@@H]1CCC(=O)NC1	1618665083	ASXJKHOECKZBSA-QMMMGPOBSA-N	241.291	-0.294	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C	1624295915	BTSUNFNMLBKXMR-ZETCQYMHSA-N	244.295	-0.517	50	10	BBGE	
O=C(NNC(=O)c1cccc(O)n1)NC1CC1	1626790974	SDUOMCLCROOEIA-UHFFFAOYSA-N	236.231	-0.106	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](C)CCN(C)C	1631193503	BWLAPEYJRDHXMR-MRVPVSSYSA-N	230.312	-0.076	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CC[C@@H](CO)C1	1641837711	IKUHHJZMKLMVKV-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H]1C[C@@H]1COc1nc(B(O)O)cs1	1877781469	OFTAUJABTXJORW-PHDIDXHHSA-N	213.067	-0.142	50	10	BBGE	
O=C(O)C1(O)CN(C[C@H]2C[C@H]2Cl)C1	1883551158	ILSAGLGEGCUOSB-PHDIDXHHSA-N	205.641	-0.255	50	10	BBGE	
O=C(O)COCC(=O)NC1CC(Cl)C1	1884413050	UQYXXYICZVBTAW-UHFFFAOYSA-N	221.640	-0.026	50	10	BBGE	
OB(O)c1csc(CN2CCCC2)n1	1891783994	VBBJZWIAFQZBFR-UHFFFAOYSA-N	212.083	-0.581	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](F)C1	1892436506	QTEUEPDOTPLLSZ-SSDOTTSWSA-N	203.217	-0.803	50	10	BBGE	
COc1cc(OC)c([C@@H](N)[C@@H](O)C#N)cn1	1894484314	SGILYVJRLBCGGX-OIBJUYFYSA-N	223.232	-0.017	50	10	BBGE	
CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NNCCO	1894626793	VNVBWOSFCIJCJJ-OIBJUYFYSA-N	230.264	-0.654	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC	1896279665	JMKXLWNQUACKSL-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	1896280193	QQPJHXQIRDLGFA-AXTSPUMRSA-N	224.308	-0.999	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)C=CC(=O)Cl	1897219064	BGMQQGNLMCPSCZ-RCOVLWMOSA-N	247.678	-0.349	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@@H]2C[C@@H]21	1898117100	BHCXDRGUAKIWHE-BKPPORCPSA-N	220.037	-0.666	50	10	BBGE	
C[C@H](C#N)OCCN1CC[C@@](C)(B(O)O)C1	1902513022	OXLLGFLWCZXDER-NXEZZACHSA-N	226.085	-0.146	50	10	BBGE	
CC[C@](C)(CN(CC#N)CC#N)C(=O)NN	1902706161	KTFNHMZCYGEZDB-SNVBAGLBSA-N	223.280	-0.258	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@H]21	1909495941	JEAKCSOBKPZJOE-BZNPZCIMSA-N	213.281	-0.669	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCCC(=O)NN	1914253812	COKWEMCLRXEHEI-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)C1CC(O)C1	1914601844	XYHCVKDOUWTCPP-UHFFFAOYSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1N	1923215652	FUXUSJKITAEYRP-QWRGUYRKSA-N	234.303	-0.564	50	10	BBGE	
CC(C)OCCOCCOCC(=O)NN	1928180081	XGCDQOOPKGYDSF-UHFFFAOYSA-N	220.269	-0.566	50	10	BBGE	
CON(CC(F)(F)C(=O)NN)C(C)C	1928662071	DLCOGUQHXSJWIZ-UHFFFAOYSA-N	211.212	-0.117	50	10	BBGE	
Cc1nc([C@H]2C(=O)NC(=O)[C@@H]2Cl)nn1C	1929102173	OVNJVJJSQGTEJP-CRCLSJGQSA-N	228.639	-0.529	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCOC1(C)C	1933167443	NKSYGADAMCRTFA-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936087741	FZBKQRQLHYDFJY-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(O)(C2CC2)C1	1936090763	IZQKESHMXXKUJZ-IONNQARKSA-N	225.292	-0.931	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCN1C	1936093154	BFTVPZZGVFYASY-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	1936093525	FJXWERFGDGMVKK-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
Cc1ccn(CC2(C(=O)NN)CC2)c(=O)c1	1938258810	KEGUBWBGIGIKPC-UHFFFAOYSA-N	221.260	-0.073	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCNO2)CC1	1938689909	BHPLQJFPSUQUHG-MRVPVSSYSA-N	225.248	-0.843	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C(=O)N(C)C)C1	1940303257	LIOHKMMHKWVCNB-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(CCOCC(=O)NN)C1	1941773001	QJPMCEUIVWOOKU-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)COCCN1CCCCCCC1=O	1941780322	OLDMBWKDROEMPZ-UHFFFAOYSA-N	243.307	-0.214	50	10	BBGE	
CC[C@@H]1CCCN(CCOCC(=O)NN)C1=O	1945615954	LDWYQYQZWFYTIV-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
NNC(=O)C1(CN2CCn3nccc3C2)CC1	1945884450	QVGCEEPYKXRGPE-UHFFFAOYSA-N	235.291	-0.531	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1946111379	WUOFISHEBNFDLX-JLIMGVALSA-N	241.335	-0.296	50	10	BBGE	
O=C1CC(S(=O)(=O)N2CC(Cl)C2)C1	1954141982	ZBXJBXPDDKTNJQ-UHFFFAOYSA-N	223.681	-0.029	50	10	BBGE	
O=S(=O)(CCCCl)N[C@H]1C[C@@H]1CO	1954307531	DPKUVMCZMXRXQK-RQJHMYQMSA-N	227.713	-0.085	50	10	BBGE	
C[C@@H](CN)SC[C@H]1C[C@@H]1C(=O)NN	1954402572	OEIVPCKHTIBMAC-XVMARJQXSA-N	203.311	-0.307	50	10	BBGE	
CC[C@@H](O)CN(C)[C@H](C)CC(=O)NN	1955926342	JNHGNPQLDOSVCR-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@H]2CNC[C@H]21	1957255827	IZOBQQYBJVERJV-YIZRAAEISA-N	215.684	-0.210	50	10	BBGE	
Cn1nccc1CN(C(=O)NN)C1CC1	1961254285	OVYXSCJUVQOZOM-UHFFFAOYSA-N	209.253	-0.032	50	10	BBGE	
NNC(=O)CCN1C[C@@H](C(F)F)CC1=O	1962293995	QNTCUJOMGSASOJ-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
C[C@H]1CC(=O)N1CCC(F)(F)C(=O)NN	1975109341	FMSPIECYQMNOID-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CSC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1975716155	SLBVMKJJRYUODY-MRVPVSSYSA-N	243.332	-0.446	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@H](C)CC(=O)NN	1978306390	WRSADFNRVJDBNK-PSASIEDQSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1C	1981413884	LRTLCNJIRGJBMI-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cccnc1N1CC2(F)CC1C2	1981423850	JYMJBPLLFVWLFT-UHFFFAOYSA-N	222.028	-0.548	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCCC2)n1	1981469399	RTKUVSIFIWOTHA-UHFFFAOYSA-N	221.069	-0.545	50	10	BBGE	
CC[C@H]1COCCN1c1nc(B(O)O)cs1	1981470490	BIXUGHPFTFMYMD-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2[C@@H](C)C(=O)NN	1987530079	PIUZDZMGRAPNKC-LPEHRKFASA-N	226.324	-0.468	50	10	BBGE	
COC[C@@]1(C)CCN1CC(=O)NNC(C)=O	1990776476	LGULPUZDVGTOSE-SNVBAGLBSA-N	229.280	-0.736	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCn2ncnc2C1	1991704564	UJRYXLBSSZPVKD-OWOJBTEDSA-N	240.650	-0.058	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1991706515	QGSGDVVANOGDOS-DCMFILABSA-N	247.678	-0.348	50	10	BBGE	
CC(C)COC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1996707015	DENDCFZHJQLKSQ-ONGXEEELSA-N	241.335	-0.031	50	10	BBGE	
CC(C)COC1CN(CCOCC(=O)NN)C1	1996708308	ZLBLENJDMGOBMU-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@H]2OCC[C@H]2O1	1999558859	QWPNWNLMDRVBLV-AEJSXWLSSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C(=O)NC(C)(C)C)C1	2002647056	GWTZRJCCKKRDHS-SSDOTTSWSA-N	242.323	-0.789	50	10	BBGE	
C[C@H]1CC[C@@H](C)N(c2ncc(B(O)O)cn2)C1	2004911584	IUFLWHWKAPDGAG-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H](COCc1ccccc1B(O)O)N(C)C	2006994238	KVWACFAFCYEXJU-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
COC[C@H]1CC[C@H](Cn2ccc(B(O)O)n2)C1	2010882868	ZSFYUPGAUFGXPD-UWVGGRQHSA-N	238.096	-0.374	50	10	BBGE	
Cn1cc(C(=O)NN)c(CO[C@H]2CC2(F)F)n1	2011546558	JPRHSVSUIJXOQE-ZETCQYMHSA-N	246.217	-0.052	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901008	YJJLXIATLWGDKF-RCZSTQMZSA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1ccn(Cc2cnn(C3CC3)c2)n1	2013749497	VMAHSQZMEFEDFW-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H](F)[C@H](F)C1	2014927360	ZQGXKPFHHFMJMW-OCAPTIKFSA-N	245.997	-0.603	50	10	BBGE	
CC(C)CONC(=O)c1ccc(B(O)O)cc1	2022196689	PWBHSLBTNACBRR-UHFFFAOYSA-N	237.064	-0.316	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccccc1B(O)O	2022199996	MOEHYHXXAICFSU-BDAKNGLRSA-N	233.076	-0.153	50	10	BBGE	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNCCO	2031845030	AEPWUWXCJWJORN-SECBINFHSA-N	249.270	-0.061	50	10	BBGE	
Cc1nccn1CCCCn1ccc(B(O)O)n1	2050446503	MCWVCPGEMPHTEC-UHFFFAOYSA-N	248.095	-0.452	50	10	BBGE	
Cc1ccnc(N(C)[C@@H]2CCN(C)C2)c1B(O)O	2052472708	NOAKLEUZLQUGKU-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(CCOC3)C2)n1	2052556037	KEOIPSLIVYIBQK-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
N#Cc1c(C=O)ccc(B(O)O)c1Cl	2060094086	LEKISOOMMBYELW-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
O=C(CCl)N[C@@H]1CCn2cnnc2C1	2209860988	LLSGFHLEWUMMKJ-ZCFIWIBFSA-N	214.656	-0.052	50	10	BBGE	
CCN1CC[C@H](O[C@H](C)C(=O)NN)C1	2209994871	FMEWMXGAPYEQNW-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C[C@H](C)CO)C1	2212363225	SGZFQIMNCLUNDJ-WPRPVWTQSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2212603257	DXNYAUNZAOCNAF-IUCAKERBSA-N	220.081	-0.359	50	10	BBGE	
C[C@@H](CCO)CNc1ncccc1B(O)O	2212605245	AMRXJEZLKYTFBU-QMMMGPOBSA-N	224.069	-0.808	50	10	BBGE	
C=CCOCCNc1cc(B(O)O)ccn1	2212610914	RCCCNRBPGNELNT-UHFFFAOYSA-N	222.053	-0.624	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2OC[C@@H]3CCC[C@@H]32)n1	2213221150	JDMVOKGYLFXMLB-GUBZILKMSA-N	236.080	-0.622	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H](O)[C@H](F)C1	2215771033	FTCRQBFPOPLSJP-KYXWUPHJSA-N	245.298	-0.593	50	10	BBGE	
CON(CC1(C(=O)NN)CCC1)[C@H]1CCOC1	2216527961	JRSPWNNAOJFEOQ-VIFPVBQESA-N	243.307	-0.201	50	10	BBGE	
OB(O)c1ccnc(N2Cc3conc3C2)c1	2217174485	ZVAQEVFCWRFVLN-UHFFFAOYSA-N	231.020	-0.730	50	10	BBGE	
Cc1c[nH]c(=NCCC[C@@H](C)N)cc1B(O)O	2217183013	IGSDPWNOFCZBON-SECBINFHSA-N	237.112	-0.969	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)c(C)cn1)C1CC1	2217183484	INXJNLGJFZVEAZ-LLVKDONJSA-N	230.076	-0.106	50	10	BBGE	
CCO[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217197272	ZFFTVPBBJBRLMM-AOOOYVTPSA-N	236.080	-0.259	50	10	BBGE	
NCC1(CCNc2cc(B(O)O)ccn2)CC1	2217198029	VFUHOKBAWYJAEY-UHFFFAOYSA-N	235.096	-0.698	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1Cc1cccc(B(O)O)c1	2220062237	GERSWLMHYHDBTG-ZYHUDNBSSA-N	248.135	-0.465	50	10	BBGE	
CN1CCC(CNc2ncccc2B(O)O)CC1	2223632250	HMLVMBNRNTVOOZ-UHFFFAOYSA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@@H]2CC[C@H]21	2223650649	PAPUSPHEXSZEET-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(c2ncccc2B(O)O)C1	2223670098	SNXBRAMKFFKFDY-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
CCc1nc(CNc2ncccc2B(O)O)co1	2223671618	OQVBJKVQEPSDLW-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
CC1(C)CNCC[C@H]1Nc1ncccc1B(O)O	2223672909	VIOONIVLONLWPP-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
Cn1c(=O)cc(O)n(C(=O)CCCCl)c1=O	2243059371	PXRYBJINLIJIND-UHFFFAOYSA-N	246.650	-0.088	50	10	BBGE	
N[C@H](CO)C(=O)NN(C1CCC1)C1CCC1	2243257864	IYCMWLXXWOKJBF-SNVBAGLBSA-N	227.308	-0.256	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C[C@@H]21	2243350142	WDSKZVIHECTFEW-XPUUQOCRSA-N	221.021	-0.806	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243373206	NRAKHPHHGCSUBL-XAVMHZPKSA-N	227.069	-0.731	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)N	2243382928	SGFOQTUVMNKGDT-JECWYVHBSA-N	228.101	-0.519	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(COC2)C1	2243391339	JLHJRJMQHFUGFK-YUMQZZPRSA-N	225.053	-0.902	50	10	BBGE	
N=c1[nH]cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243397094	VLINHYUVXABNQJ-WDSKDSINSA-N	241.081	-0.965	50	10	BBGE	
O=C(NC[C@@H]1CCCO1)[C@H]1C[C@H](B(O)O)C1	2243427254	SJIRJXYWNOOACF-CIUDSAMLSA-N	227.069	-0.465	50	10	BBGE	
C=CCC(=O)N[C@H](C)c1nscc1B(O)O	2243665897	WYMBDEVEODSAEA-ZCFIWIBFSA-N	240.093	-0.424	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]1CF	2244221027	CHZGLILKFZUCAK-SSDOTTSWSA-N	227.000	-0.857	50	10	BBGE	
CC1(Oc2cc(B(O)O)c(Cl)cn2)CNC1	2245913805	YITVKUIFVWXINI-UHFFFAOYSA-N	242.471	-0.845	50	10	BBGE	
Cc1ccnc(N2O[C@H]3CC[C@H]2C3)c1B(O)O	2247071830	PIRCVPWTAVZCFX-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCOC1	2247736002	RESIAZUTXCGSKZ-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CON(C(=O)c1ccoc1B(O)O)C1CCC1	2247739237	ZGMFNZQQTHBBTO-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2247741341	YCVZADHOAPTWHP-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CN(CCC[C@@H]1CC1(F)F)C(=O)C#CB(O)O	2247743495	DXICITUJAVWVHK-MRVPVSSYSA-N	245.034	-0.104	50	10	BBGE	
C=C1CCCN(C(=O)c2ccoc2B(O)O)C1	2247743609	GQCWGHMOPMLKJR-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H](C)CF)c1	2247752384	OJPGTAIVQGTYPR-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786499	BRXNNQKERGUWLF-NGZCFLSTSA-N	243.112	-0.237	50	10	BBGE	
NCCN(CC1CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247793528	YIRCWJFZTAXKCA-AOOOYVTPSA-N	240.112	-0.563	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797023	FQNBPFGDZLZLCY-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247800505	PQMQKKJKAWTMQU-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
N=c1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)cc[nH]1	2247801280	YYMSUDOCXLTIGD-LJGSYFOKSA-N	235.052	-0.314	50	10	BBGE	
O=C(NCCCN1CCC1)C1CC(B(O)O)C1	2247808032	SPJXSAWGZRZQBB-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CN(Cc1ccon1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808726	MDRWOLVWODLZKJ-ZKCHVHJHSA-N	238.052	-0.114	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@@]2(CO)C1	2247809006	WYUNAAXAUWIIPE-REIXXSIJSA-N	239.080	-0.920	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2247849991	IJPXQWAESHWERL-NKWVEPMBSA-N	248.997	-0.341	50	10	BBGE	
CC[C@@]1(C)C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247850101	JUHNUFZIHROMBK-KOLCDFICSA-N	239.080	-0.582	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ncccc1B(O)O	2247868746	HXGQWUSZPMAIIK-MRVPVSSYSA-N	234.064	-0.710	50	10	BBGE	
CO[C@@H](C1CC1)[C@H](C)NC(=O)C1(B(O)O)CC1	2247879442	VJEQIRYKSWUMHC-IONNQARKSA-N	241.096	-0.077	50	10	BBGE	
CC[C@H]1NCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894883	LUOSHILDSISTOR-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
O=C(NCCc1ccncc1)[C@H]1C[C@H]1B(O)O	2247897153	OQWADSRJHAJKJX-VHSXEESVSA-N	234.064	-0.397	50	10	BBGE	
O=C(NCC12COCC(C1)C2)[C@@H]1C[C@@H]1B(O)O	2247899825	QNINOOUEMMISFS-GWMJWBFUSA-N	239.080	-0.608	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CCCO1	2247982772	ZGWPCUCTYZFMQU-UHFFFAOYSA-N	236.036	-0.464	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)c(F)c1F	2248419436	ANIAKTZIUBEKTB-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2248577756	PDOSHUMCBPLYQR-SSDOTTSWSA-N	241.052	-0.683	50	10	BBGE	
OC[C@@H]1CO[C@@H](CN2CCC(B(O)O)CC2)C1	2249343597	RGXBRMJLXGXWLH-MWLCHTKSSA-N	243.112	-0.677	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1cc(B(O)O)co1	2249415773	ISWYYLFMCXLENE-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H](CF)C1	2249416824	XRKDUOVPVBYGDE-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@H]2N)cc1B(O)O	2250300057	RTPOXEJUKGVSST-PSASIEDQSA-N	235.096	-0.781	50	10	BBGE	
CCn1cnc(NC(=O)c2occc2B(O)O)c1	2255491660	ZYEBNQUHTPUZEO-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cncc(B(O)O)c1	2255522154	FWLPGYSONGGISU-LLVKDONJSA-N	246.075	-0.707	50	10	BBGE	
C[C@H](c1ccc(O)cc1)N(C)C(=O)C#CB(O)O	2255668603	BUMVTLHHVYICIA-SECBINFHSA-N	247.059	-0.073	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1	2255720201	QGTCNQWYSSOVTH-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2259936198	GNHRMQWAGCHIDE-DGCLKSJQSA-N	246.119	-0.853	50	10	BBGE	
COCCNC(=O)C(C#N)=CN1CCOCC1	2295069339	YUEVJZARPBSUEK-UHFFFAOYSA-N	239.275	-0.511	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368673	REGGYBBBXXZLBG-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370418	YIHPOFRGKAYBKY-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)CN1C	2298375371	HKUVDOMVABSFOF-QEYWKRMJSA-N	240.112	-0.600	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCCO[C@@H]12)[C@@H]1C[C@@H]1B(O)O	2298377344	NPFSNRPJQRIVMB-GRDBIXFFSA-N	239.080	-0.610	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299355700	PNWQTTMVRCBOTA-ZYUZMQFOSA-N	239.080	-0.613	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](C(N)=O)C1)C(=O)NN	2303410745	PDMDZVMVGASQGO-GZMMTYOYSA-N	242.323	-0.800	50	10	BBGE	
CO[C@@]1(C)C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836864	SEPDNLXCNKIKGY-SCZZXKLOSA-N	240.043	-0.510	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(CC2(C(=O)NN)CC2)[C@@H]1C	2304213477	RIDWCJUMBSOQCN-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCc2nccn2CC1	2315497536	YDSVFWILFYOZPD-VHSXEESVSA-N	249.318	-0.633	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317162144	IGAORSMQKDSVCN-RKDXNWHRSA-N	248.091	-0.191	50	10	BBGE	
NC(=O)C(=O)NNC(=O)c1ccc(F)cc1	5944684	LRTAGNRWABUUBO-UHFFFAOYSA-N	225.179	-0.928	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1C[C@H]1C	66654651	XBVIAFBDPLFUKO-RQJHMYQMSA-N	200.238	-0.174	50	10	BBGE	
CN(CCO)Cc1ccsc1C(=O)NN	82509334	VVISFHASXCOQHG-UHFFFAOYSA-N	229.305	-0.224	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC1CC(O)C1	84453500	WEGAMZAVAQWWLG-IDKOKCKLSA-N	229.324	-0.152	50	10	BBGE	
N#CCN(CC#N)Cc1ccc(C(=O)NN)cn1	94763644	WKTHZEKKSCSOMD-UHFFFAOYSA-N	244.258	-0.466	50	10	BBGE	
CNP(=O)(NC)N1CCC[C@H](N)C1=O	148905582	MEKDLIRTYTXNKO-LURJTMIESA-N	220.213	-0.517	50	10	BBGE	
COCCC[C@H](NC(=O)NN(C)C)C(=O)O	149127380	WOMCTQVSQJYMGT-ZETCQYMHSA-N	233.268	-0.358	50	10	BBGE	
COC(=O)N1CCCC[C@@H]1CC(=O)NN	215366595	VYJVYVPBAKCBCR-SSDOTTSWSA-N	215.253	-0.013	50	10	BBGE	
COCCCOc1ccc(OC)cc1B(O)O	228666768	YVMSVQAIJOSQRA-UHFFFAOYSA-N	240.064	-0.210	50	10	BBGE	
C[C@H](C[S@@](C)=O)NS(=O)(=O)CCl	229037483	OJOVLNHYZQOHGK-BLTYZCFWSA-N	233.742	-0.131	50	10	BBGE	
CNC(=O)[C@H](C)NS(=O)(=O)CCCl	232299074	IYIHNKXWORIUPR-YFKPBYRVSA-N	228.701	-0.721	50	10	BBGE	
O=C1CCN(S(=O)(=O)CCCl)CCN1	232299515	VCABTLMBMMFVLZ-UHFFFAOYSA-N	240.712	-0.623	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)NNCC(=O)OC	238266474	KMBCOMXXNIJREG-XPUUQOCRSA-N	217.269	-0.846	50	10	BBGE	
N#C[C@@H](Cl)C(=O)NCCCOC=O	238506974	SRLDEVGTMSISGV-ZCFIWIBFSA-N	204.613	-0.203	50	10	BBGE	
CS[C@@H]1CCCN(C(=O)C(=O)NN)CC1	300855127	OIIOIPYHBYKYTR-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
CN(CCCO)Cc1ccc(C(=O)NN)cn1	302522398	WNJRJKSDGPIJOZ-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
O=C1O[C@H]2[C@H]3O[C@H]([C@H]2Cl)[C@H](C(=O)O)[C@H]13	306835968	SIIMPOCAYCQRBK-MVKKHVDWSA-N	218.592	-0.383	50	10	BBGE	
Nc1cc(O)c2cc(B(O)O)sc2c1	307000192	ACSKEOYFEIHFLB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NNc1ccc(B(O)O)c(CCl)c1	307432629	YPDOVTWARUZVMU-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
CC(C)(N)C(=O)Nc1ccc(B(O)O)cc1	309148315	LITQIBBARMMVRY-UHFFFAOYSA-N	222.053	-0.958	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1nncn1C	310235566	ATNNEUTUJRBBRU-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
CO[C@@H](CC(C)=NNC(N)=O)OC(C)=O	383916399	DHYQSTIGDHPBKN-SSDOTTSWSA-N	217.225	-0.044	50	10	BBGE	
CCN(CCOC)Cc1nc(C(=O)NN)co1	387043161	UZSGIHHCWDDGHO-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
O=C1CN(CCc2cnccn2)CC(=O)O1	390320432	QFJJMKCONUYXSY-UHFFFAOYSA-N	221.216	-0.596	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccncc2=O)n1	393982802	GFHLNSMHJKMQNN-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(B(O)O)ccc1O	396017696	AKIKMMPLPNIDRM-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
Nc1cc(B(O)O)c2ccsc2c1CO	396257344	XTXPSUOTUJKFEI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1csc2ccc(O)c(B(O)O)c12	396338468	IWATWPWXCZKFPZ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1C[C@@H](CN2CC(=O)OC(=O)C2)CN1C	396633133	GQAGAZCNLACMQB-DTWKUNHWSA-N	226.276	-0.288	50	10	BBGE	
Cn1cccc1C(=O)Nc1ccnc(B(O)O)c1	405044420	BVUBISJGMIYENQ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C=CCC[S@](=O)CC(=O)NNC(C)=O	526912259	XHNNZRZLPPCWDM-AWEZNQCLSA-N	218.278	-0.522	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1[C@@H](C)O	688023431	GZGBGNSEMOEHLZ-SCZZXKLOSA-N	243.307	-0.611	50	10	BBGE	
COC[C@@H](CN(C)[C@@H](C(=O)NN)C(C)C)OC	691286321	LKSREUSGKYQWIL-NXEZZACHSA-N	247.339	-0.406	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@@H](C)O2)c(C)c1B(O)O	694268273	HRPBPAFASRGQPZ-GMSGAONNSA-N	238.096	-0.253	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CN(C)CC(=O)NN)[C@H]1C	701354833	OLYWJKRQEAZSOL-AXTSPUMRSA-N	229.324	-0.032	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](ON)C2CC2)CC1	708688275	JPKSUYGXNKHCRR-VIFPVBQESA-N	239.275	-0.468	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1COC[C@@H]1O	709211239	VGNDVOUNYPJSOO-CSMHCCOUSA-N	209.673	-0.722	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)[C@@H]1C[C@@H]1C	712323646	YHFLTAZRXQVVMI-IONNQARKSA-N	249.075	-0.031	50	10	BBGE	
CC(C)(CN1C[C@H]2COC[C@@H]2C1)C(=O)NN	718252486	PNURHGSILKSPEP-IUCAKERBSA-N	227.308	-0.419	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)O	803159358	KPSJQKICSHCGPM-SFYZADRCSA-N	244.291	-0.280	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)C2(F)CC2)n[nH]1	843842279	MRUXSTLSKMXSSR-UHFFFAOYSA-N	226.211	-0.019	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](OC)[C@H]1CCOC1	854409703	KJWWYVATNUBPDG-UWVGGRQHSA-N	246.307	-0.353	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCCN1C(C)=O	865016150	XUCDKFXREXVWHN-MRVPVSSYSA-N	242.279	-0.652	50	10	BBGE	
CN(NC(=O)/C=C\c1cn(C)cn1)C(N)=O	1295200495	HOSGIDWLNUVWGL-ARJAWSKDSA-N	223.236	-0.525	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2nc3ccccc3[nH]2)N1	1454632429	LZALSPOXVGQUQX-QMMMGPOBSA-N	245.242	-0.106	50	10	BBGE	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)N(C)C	1544264832	BMQNGJBVBIMMNI-SSDOTTSWSA-N	245.279	-0.122	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1nnc(N)s1	1583489250	SOQFKNHPAFCWRQ-UHFFFAOYSA-N	244.280	-0.987	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Br)N1C[C@H](O)CO1	1877356237	NLAYHWHWXJVWLD-JKUQZMGJSA-N	236.065	-0.096	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)CBr	1880160979	KBVNAKKONDPUKO-UHNVWZDZSA-N	226.070	-0.761	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CBr)C[C@H]2O1	1881800132	FKWPDILXCYTEPL-RFZPGFLSSA-N	249.064	-0.300	50	10	BBGE	
NCc1n[nH]c(=NC[C@H]2C[C@@H]2Cl)o1	1883555607	YBHLLOJRPIGIFY-UHNVWZDZSA-N	202.645	-0.011	50	10	BBGE	
CO[C@@H]1CCNC[C@H]1C(=O)NN(C)C	1886166701	BKRZPLYJJGIMQL-HTQZYQBOSA-N	201.270	-0.796	50	10	BBGE	
O=C(O)Cc1c(Cl)cccc1B(O)O	1886575167	GQAFWWFPEZAYPY-UHFFFAOYSA-N	214.413	-0.353	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2[C@H](C1)CS2(=O)=O	1887049781	KCMZTAYBOLSEOC-RRKCRQDMSA-N	237.708	-0.131	50	10	BBGE	
CNS(=O)(=O)C1CN(C(=O)OCCl)C1	1887063965	CKZGUAPKAYBZNT-UHFFFAOYSA-N	242.684	-0.447	50	10	BBGE	
CS(=O)(=O)N1CC(NC[C@H]2C[C@@H]2Cl)C1	1893105975	CFGLYPAXZCVOBD-SVRRBLITSA-N	238.740	-0.153	50	10	BBGE	
C#CC[C@@H](O)CNC(=O)C=CC(=O)Cl	1893410444	JRKKFNXDZCYLOA-SSDOTTSWSA-N	215.636	-0.192	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1895059413	VEDAUIIYPILTSE-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2COC[C@@H]21	1901753485	VVYGVPNMNUYUTB-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
OB(O)[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1	1902544606	CSURBJBZQQBTEQ-SFYZADRCSA-N	235.039	-0.041	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917088632	WFVHHDKVQMCXAD-PSASIEDQSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccc(=O)cc1	1927912425	XDOUXBIODRFCNV-CBAPKCEASA-N	207.233	-0.526	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1929836587	LWSWLFTTZLBHFU-QVWMKHDWSA-N	212.249	-0.977	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC1(C)C	1934005081	TUBDNGMMMBDWTA-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
Cc1cc(B(O)O)sc1CN(C)[S@@](C)=O	1935214012	LAMNWFJSAOVLBZ-OAHLLOKOSA-N	247.150	-0.538	50	10	BBGE	
CCCSC1CN(CCOCC(=O)NN)C1	1939022974	VLTVWZQZSNYRGR-UHFFFAOYSA-N	247.364	-0.180	50	10	BBGE	
CC(C)CN(CCO)C[C@H]1C[C@H]1C(=O)NN	1939256442	TXKPIJKMNNBKRC-NXEZZACHSA-N	229.324	-0.437	50	10	BBGE	
CCC1(F)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	1944760509	PIRBQTOTQDGPFB-BDAKNGLRSA-N	245.298	-0.042	50	10	BBGE	
CN1CC[C@H](CN(C)CC2(C(=O)NN)CC2)C1	1945883101	UGURIYMHKFFPDC-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
COC[C@]1(O)CCN([C@@H](C)[C@H](C)C(=O)NN)C1	1946478627	FRUPPSGALHPHIF-QXEWZRGKSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cnn(C[C@]23CCC[C@@H]2CCO3)c1	1947436758	OGIJYCVPTCQVRA-MWLCHTKSSA-N	236.080	-0.478	50	10	BBGE	
C[C@H]1C[C@@]1(CN)C(=O)N1CCC(O)(C#N)CC1	1951149857	UDAXQIKMBLMNOD-CABZTGNLSA-N	237.303	-0.152	50	10	BBGE	
O=C([C@H]1CC1(F)F)N1CC[C@H](B(O)O)C1	1951322003	PSMITBHMOYKYIK-NTSWFWBYSA-N	218.996	-0.283	50	10	BBGE	
N#C[C@@H](O)Cc1ccccc1S(N)(=O)=O	1951418332	JEXRXWLCMOWCHR-QMMMGPOBSA-N	226.257	-0.239	50	10	BBGE	
NC(=O)c1coc(CNC(=O)CCl)n1	1955514036	PABDJPXRLYQRLF-UHFFFAOYSA-N	217.612	-0.372	50	10	BBGE	
COC1(CN(C)C(=O)NN)CCOCC1	1957518839	SMSIKOQLDVBYHV-UHFFFAOYSA-N	217.269	-0.303	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1957559029	GRPYNJUUXKSTJR-QGMREWSDSA-N	233.695	-0.140	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC2(CC2)CO1	1957615829	IDJUINRGXPWWFE-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@H]1CO	1960268907	KLITXZFMNQPLNP-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
O=C(c1ncccc1F)N1CC[C@H](B(O)O)C1	1964511274	YQQKYRIYXGGICM-ZETCQYMHSA-N	238.027	-0.090	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSC2CNC2)O1	1975142596	JLNVVLPCMQBRSW-HTRCEHHLSA-N	231.321	-0.771	50	10	BBGE	
COC(=O)CC(=O)N1CCC(O)(C#N)CC1	1977018772	RXNSLDZBUMGSJJ-UHFFFAOYSA-N	226.232	-0.573	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC2(CCC2)CO1	1979379619	LXCFXCCLRGGMJS-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
O=C(NCCOCCCl)c1c[nH]c(=O)cn1	1979657661	IEHITDSEPZHZNU-UHFFFAOYSA-N	245.666	-0.245	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H](F)C1	1981422703	SFMVGDKCBNOIND-QMMMGPOBSA-N	224.044	-0.300	50	10	BBGE	
C[C@H](CCOc1nc(B(O)O)cs1)N(C)C	1983693596	JDSVVKBGEMKXSF-SSDOTTSWSA-N	244.125	-0.458	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1COC2(CCCC2)C1	1984300578	KCKWSELDZQICFB-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
NNC(=O)C1(CN2CCC=C[C@H]2CO)CC1	1985651924	LNUAWHACUVTDEA-VIFPVBQESA-N	225.292	-0.621	50	10	BBGE	
CO[C@H]1CNCC[C@@H]1NC(=O)C=CC(=O)Cl	1991654465	LBZVTUDJMQMZQX-YUMQZZPRSA-N	246.694	-0.199	50	10	BBGE	
CC(C)C1CC(C(=O)NCC#CB(O)O)C1	1992124692	HRJDBXOPMLOJCR-UHFFFAOYSA-N	223.081	-0.200	50	10	BBGE	
C=C(CN(C)C[C@@H]1OCCO[C@H]1C)B(O)O	1992160541	XUMQVEOTIKOTCR-UWVGGRQHSA-N	229.085	-0.710	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccccc1B(O)O	1992835330	AWKMUVZSSXBMMI-QMMMGPOBSA-N	217.033	-0.882	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN[C@@H](C)C[C@H]1C	2000483626	AKVZMAMFDJTDNE-DTWKUNHWSA-N	242.323	-0.774	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C[C@H]2C[C@H]2C(=O)NN)C1	2001931443	FIKGNBSNKZCFFA-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CN1CC[C@@H](CCO)[C@@H](C)C1)C(=O)NN	2004907458	RWQYOSMEGOEBIX-AXFHLTTASA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC(O)C[C@H]2C1	2012899897	HRGLEQNQIVCIHU-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1CCC(C2(O)CC2)CC1)C(=O)NN	2013926801	MTWVIJVXYZBADR-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CCC[C@H](C1)N2C)C(=O)NN	2014266498	XSKQEZANGNWYAT-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C(=O)C1	2014832919	ILZWMUGZJLAKMN-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022105	PANAHIBJQSVEIO-OKNNCHMLSA-N	239.275	-0.999	50	10	BBGE	
Cn1cccc1C(=O)N[C@@H]1CCC=C1B(O)O	2020055717	DMCZALSLELIUBO-SECBINFHSA-N	234.064	-0.144	50	10	BBGE	
COCCN([C@H]1CCCOC1)[C@H](C)C(=O)NN	2020540537	FDULWUJFVVFGGD-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COCCCNC(=O)c1ccccc1B(O)O	2022196774	RLEAVPRALNDFOR-UHFFFAOYSA-N	237.064	-0.867	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@]12CC[C@H]1C2	2039756966	YIUUHSZNYFDQAN-GWCFXTLKSA-N	245.087	-0.217	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCc2nnccc2C1	2043020199	QNHWLANCWDLGND-IUCAKERBSA-N	249.318	-0.151	50	10	BBGE	
CCOc1cnn(-c2nc(C)ccc2B(O)O)c1	2052597045	NHFPRXHICMUVAU-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2N)CC1	2053917428	FADIVAFRSDEYSJ-LMLFDSFASA-N	249.314	-0.153	50	10	BBGE	
N#Cc1cc(B(O)O)c(Cl)cc1[N+](=O)[O-]	2060103757	ZMMCQUBREWLDLE-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN1CC[C@H](OCc2nscc2B(O)O)C1	2211138978	BEILVXAWOLPFRQ-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CNC[C@H](C)CNc1ncccc1B(O)O	2212601231	KYTFOBUUHHASAA-QMMMGPOBSA-N	223.085	-0.971	50	10	BBGE	
CCCN(OC)c1cc(B(O)O)c(C)cn1	2212606753	ZJUJVNFOLCITHE-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
N[C@H]1CCCC[C@H]1Oc1ncccc1B(O)O	2217167120	QRTMGYPYOUFSFO-VHSXEESVSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@@H](C3)C2)c1	2217172053	HHPFYFLPVUBDAK-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H](N)C2)cc1B(O)O	2217182987	HZMWDFDVJAKULI-RKDXNWHRSA-N	235.096	-0.638	50	10	BBGE	
CCC[C@H](O)CCN=c1ccc(B(O)O)c[nH]1	2217184304	RUBXBLPXWGOPFE-JTQLQIEISA-N	238.096	-0.854	50	10	BBGE	
CC(C)[C@H](CN)Oc1nccc(B(O)O)c1F	2217187290	VXWVISIMEVFMFV-QMMMGPOBSA-N	242.059	-0.737	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1nccc(B(O)O)c1F	2217192772	JKKIBSUWQJAYQR-BQBZGAKWSA-N	242.059	-0.737	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC12CC(O)C2	2217201109	WYQADWDWIANPSU-PUDKOPFASA-N	234.064	-0.913	50	10	BBGE	
C[C@@H]1COCC[C@H]1Nc1ncccc1B(O)O	2217205465	ZHLGLDKKNCTRCG-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CCn1cc(B(O)O)cnc1=O)C(F)F	2217409046	NWRUZBDJUNSVSK-ZCFIWIBFSA-N	246.022	-0.786	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1CC(O)C1	2220060661	YMIRKPYACZDUQH-UHFFFAOYSA-N	249.119	-0.431	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCCN[C@@H]32)cc1B(O)O	2223643328	UQLHKRRZMQOVCO-KPXOXKRLSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CNCC23CCC3)nc1	2223645729	BOTDMKFZANJRFW-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@]23CCCO3)c1	2223679297	NUOHKVVWMQHULG-CMPLNLGQSA-N	248.091	-0.115	50	10	BBGE	
N#CCC1CCN(c2cc(B(O)O)ccn2)CC1	2223679544	QTWIHZJUGACNFI-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
CC(C)SCC(=O)NCC#CB(O)O	2241554801	HMWIKANFZYWJQH-UHFFFAOYSA-N	215.083	-0.740	50	10	BBGE	
C[C@H](O)CCN1CCC(B(O)O)CC1	2241741533	OABMVIIZZKOYMY-QMMMGPOBSA-N	201.075	-0.304	50	10	BBGE	
CS(=O)(=O)CCCOC(=O)N=C=O	2242474185	KPOJRYPEHNDADW-UHFFFAOYSA-N	207.207	-0.107	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cscc2B(O)O)[C@H]1C	2243347209	JKLOPYPLEMWGQW-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2F	2243349739	PWJWOHVHXUMRFK-XGEHTFHBSA-N	225.028	-0.745	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C(F)F	2243357296	UPICZEHBXVHFTD-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
CCN(O)C(=O)c1ncc(B(O)O)cc1Cl	2243378416	SMNDPQYRBBPXOQ-UHFFFAOYSA-N	244.443	-0.734	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2COC[C@H]21	2243391099	GJSKHPHNUUVRAR-SRKTWWLUSA-N	225.053	-0.903	50	10	BBGE	
C[C@@H](O)C(C)(C)NC(=O)C1CC(B(O)O)C1	2243404220	LBORIAJHBOCOFM-JECWYVHBSA-N	229.085	-0.485	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243404683	SDCTWCQJHXQBCP-BWZBUEFSSA-N	225.053	-0.366	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1csc(B(O)O)c1	2243408263	KAJBLLKZWAOGBE-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)C1(B(O)O)CC1	2243410290	YUHDHYJJDLNWHG-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
O=C(Nc1nccc(F)n1)[C@H]1C[C@@H]1B(O)O	2243427401	UZBAEWJUUWDDCY-WHFBIAKZSA-N	224.988	-0.583	50	10	BBGE	
C[C@@H](CCc1ccco1)NC(=O)C#CB(O)O	2247741752	FGBXYIHIPVXHKW-VIFPVBQESA-N	235.048	-0.268	50	10	BBGE	
O=C(NCc1ncccc1F)C1(B(O)O)CC1	2247751304	WANINRQHVZYCPS-UHFFFAOYSA-N	238.027	-0.156	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1occc1B(O)O	2247755733	KRWCTWUJOURXJJ-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C(C)C	2247757229	PLPJQQLHHQJBMI-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
CC(C)C[C@@H](CO)CNC(=O)C1(B(O)O)CC1	2247758825	XQRWTRKTCSFLDC-SECBINFHSA-N	243.112	-0.236	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)cn1	2247760722	MOLVENLIUCAUNL-VIFPVBQESA-N	232.048	-0.790	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)cn1C)C(C)(C)C	2247763082	IURAIECTIICTMA-UHFFFAOYSA-N	238.096	-0.425	50	10	BBGE	
CCN(C(=O)c1cncc(B(O)O)c1)C1CC1	2247772810	ZSTZIRILBXVKDP-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)n[nH]1	2247784142	PYKBPGRLGYKHPB-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2247787965	XCXVWWRMDVSERL-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H]1CCCNC1)[C@H]1C[C@@H](B(O)O)C1	2247791792	OOIUYENHRPTWLT-BBBLOLIVSA-N	240.112	-0.645	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COC[C@H]2C1	2247792223	RFVRURLSOURWMY-BECAKDQMSA-N	239.080	-0.656	50	10	BBGE	
CC1(C)CC[C@@](O)(CNC(=O)C#CB(O)O)C1	2247850324	MUNNSGAPAANVRX-NSHDSACASA-N	239.080	-0.941	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCN1	2247858249	CDUFBEZGQZLEBT-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1O[C@H]2CC[C@H]1C2	2247868506	GOEMEDGFKXRCAQ-BQBZGAKWSA-N	237.020	-0.732	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)cn1C	2247869641	WDIYKFRGNLAMOS-YUMQZZPRSA-N	236.080	-0.909	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1coc(B(O)O)c1	2247871675	FZCPGZBTEQPTBZ-LURJTMIESA-N	244.990	-0.656	50	10	BBGE	
CN(C[C@@H]1CCNC1)C(=O)C1(B(O)O)CCC1	2247874853	QEOFIWKCMRDLEM-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
O=C(NCc1ncccn1)[C@H]1C[C@@H](B(O)O)C1	2247911969	ZNVNOMNGWONFLD-OCAPTIKFSA-N	235.052	-0.654	50	10	BBGE	
C[C@H](CF)NC(=O)c1ccc(B(O)O)cc1O	2247985700	LIBYKGUVUNQYQR-ZCFIWIBFSA-N	241.027	-0.840	50	10	BBGE	
O=C(O)C[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2248587036	KSSPSSCUQQQLAK-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)co1	2249417969	NDUIJNCDKONVKJ-MWLCHTKSSA-N	237.064	-0.122	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccncc1B(O)O	2252739474	IHBHUQNLGPLNFW-UHFFFAOYSA-N	238.052	-0.609	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]21	2255466600	BCMUCVYSZHEXNJ-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
Cc1cncc(NC(=O)c2ccoc2B(O)O)c1	2255468263	YJBCTCWXQMQNSP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@H]2C1	2255474609	TUNJVWXQEBTGQC-DTORHVGOSA-N	248.091	-0.433	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@H]32)ccc1B(O)O	2255513727	WUFGUPMMTZRSFB-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
NC1(c2cccc(NC(=O)C#CB(O)O)c2)CC1	2255670288	WURHBNOBTAPOQV-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
N#Cc1ccc2c(c1)N(C(=O)C#CB(O)O)CC2	2255670707	ZROLYSIVRBXNDB-UHFFFAOYSA-N	240.027	-0.537	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1coc(B(O)O)c1	2255724361	NBCDTPALAAFESA-VHSXEESVSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(C)c(B(O)O)c1	2255735777	AEZQQNZJIHZWEA-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
Cc1ncnc(C)c1CNC(=O)[C@H]1C[C@H]1B(O)O	2255775085	UULVNGWQRWTRRN-WCBMZHEXSA-N	249.079	-0.427	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1CC[C@@H]2C[C@@H]21	2258130120	BOOXCBAMVTZSRX-FKTZTGRPSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(B(O)O)co1	2258136612	MSXCZTXLWIJVFM-NRPADANISA-N	247.059	-0.346	50	10	BBGE	
COc1nn(C)cc1Nc1cc(B(O)O)ccn1	2259106134	UMPXFIQZRDZWDV-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
CNC(=O)[C@@H]1CN(C)CCN1C(=O)CCl	2296576166	HLYMTJZEQWCPOD-ZETCQYMHSA-N	233.699	-0.886	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C[C@H](Cl)C#N	2297113199	KEZWONZHHHHBRG-CSMHCCOUSA-N	218.684	-0.067	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369819	GNBPLYSTIQRFAR-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2298371932	ZTKAGZQJUILLMP-DOLQZWNJSA-N	238.096	-0.798	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(F)c(B(O)O)c1	2301605390	MCMUVRWIZBLMJR-VIFPVBQESA-N	241.027	-0.785	50	10	BBGE	
O=C(c1ccoc1B(O)O)N(CCF)CCF	2301728320	SFIOMEBNSBHYRN-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
O=C1NCCCC[C@@H]1CN1CC[C@@H](B(O)O)C1	2303096289	CTJXAMQDKDOOQO-NXEZZACHSA-N	240.112	-0.549	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN=c1cc(B(O)O)c(F)c[nH]1	2303836534	NTOVXWUWURTPJS-SFYZADRCSA-N	238.071	-0.220	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccc(B(O)O)cc1	2307369258	ZDRFCKNNNCTPGX-MGCOHNPYSA-N	237.039	-0.403	50	10	BBGE	
N#CC(=CN1CCCC1)C(=O)N1CCNCC1	2324216407	ANZKLPBUOSZZJM-UHFFFAOYSA-N	234.303	-0.079	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)NCC(=O)O	2324946235	XWXAPKNBZRWOIW-UHFFFAOYSA-N	211.221	-0.407	50	10	BBGE	
O=C(NCCNCCO)C(Cl)Cl	6312122	IWGNONHSXFQYNR-UHFFFAOYSA-N	215.080	-0.512	50	10	BBGE	
C[C@H](Cl)C(=O)NCCS(=O)(=O)O	41711259	WJBIQLRWQRHABN-BYPYZUCNSA-N	215.658	-0.382	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H]2CCCC[C@H]21	43428921	KNWHDHAQOJVWBZ-HTQZYQBOSA-N	227.264	-0.854	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)Cc1ccc(F)cc1	49829525	FOAVJFAALHYYLD-SSDOTTSWSA-N	239.250	-0.137	50	10	BBGE	
NC[C@H]1CCN(CC(=O)NNc2ccccn2)C1	50248416	CTALSAZWQDEOPU-SNVBAGLBSA-N	249.318	-0.195	50	10	BBGE	
CN(CCO)CCCCCC(=O)NN	70652470	RECBTKRENIHPNX-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(N(C)C)CC1	82467664	IGUSEMUBPYZVHZ-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
CC[C@H]1COCCN1CCC(=O)NN	82468002	ULTRJIICZPFKQU-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCOCC1	82469353	NLXSQMKSVBDVCL-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1ncn[nH]1	86313891	WPJHEGDPKRUPJI-RFZPGFLSSA-N	215.282	-0.089	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)N(C)CC(N)=O	86549938	SHGXDPOZMPUPRQ-ZCFIWIBFSA-N	242.728	-0.392	50	10	BBGE	
CN(C)S(=O)(=O)N1CCO[C@H](CCl)C1	88097134	VGCKHSPYVMQHTC-SSDOTTSWSA-N	242.728	-0.268	50	10	BBGE	
COC(=O)CCC(=O)CNC(=O)CCl	170279640	DJFNOGAOJIOOJI-UHFFFAOYSA-N	221.640	-0.136	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](N)C2)o1	203223864	SAOXVXXDVDMUOC-SSDOTTSWSA-N	224.264	-0.584	50	10	BBGE	
N#CCCN/C=C(/C#N)C(=O)N1CCNCC1	216970961	WBQNYPSLQPWEJY-KTKRTIGZSA-N	233.275	-0.671	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCC1	232420785	ZOORTDGTLPVNCL-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
CCOC[C@@H](C)O[C@@H](COC)C(=O)NN	233755330	FQVBFVJQUHUHQT-SFYZADRCSA-N	220.269	-0.567	50	10	BBGE	
CC[C@H](NC(=O)c1ccc[nH]1)C(=O)NN	238281968	SJEGKETXPRGYKP-LURJTMIESA-N	210.237	-0.487	50	10	BBGE	
CN1CC[C@@H](C[C@@H](N)C(=O)NN(C)C)C1	259072705	NLOGBPITOPAWJE-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
NC(=O)CSC[C@@H](O)CBr	300838719	QGZSKHGKCUOHDH-BYPYZUCNSA-N	228.111	-0.039	50	10	BBGE	
CC1(C)O[C@@H]2C(=O)O[C@H]([C@H](O)Cl)[C@H]2O1	306265936	BMFFBRCBPHEFNE-VANKVMQKSA-N	222.624	-0.011	50	10	BBGE	
CS(=O)(=O)[C@H]1CCCN(C(=O)NN)C1	306467548	MFECYEMDALWRIB-LURJTMIESA-N	221.282	-0.921	50	10	BBGE	
CC(C)NCCC(=O)NNC(=O)C1CC1	308831010	GFMCKBBCGHUWLD-UHFFFAOYSA-N	213.281	-0.068	50	10	BBGE	
O=C(O)c1ncc(B(O)O)cc1C(F)(F)F	309389580	NUBJMVKUPRLXLP-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
COC1CN(Cc2cc(C(=O)NN)no2)C1	309440430	ZJCXWVIBSWWVHQ-UHFFFAOYSA-N	226.236	-0.891	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cnn(C)c1N	382334103	XMWHZIUTUMXITR-UHFFFAOYSA-N	224.268	-0.986	50	10	BBGE	
COC1(C)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	382595246	FIODFJLTPQUUTQ-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1C#N	396110998	QIFKNFGTNYUCAC-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C(=O)[C@H]1C	399516537	MNXLUCOCRVFSFV-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)C[S@](C)=O	399981004	OBKWZSLLSJSQBP-DHDZUQTRSA-N	221.326	-0.936	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cccnc1	405013195	ZGBFDOGXISFRHD-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
Cn1ccc(C(=O)N2CCC(O)(C#N)CC2)n1	692116123	VZXIKJDXLTZIMW-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](C)[C@](C)(CO)C1	694662619	SARNPMAJLUMRER-GMOBBJLQSA-N	243.351	-0.049	50	10	BBGE	
COC[C@@H](OCC(C)(F)F)C(=O)NN	703581991	KVWOKXQPWJWNBH-RXMQYKEDSA-N	212.196	-0.337	50	10	BBGE	
COCCC1CCN(C(=O)C(=O)NN)CC1	704146917	RFIHVNPXJSBCOL-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CCCNC(=O)N1CCc2ccc(B(O)O)cc21	712957801	SZTASAPUNLANDR-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@H]3C2=O)n1	715550403	RBSBKEZOHQPKSF-PHDIDXHHSA-N	236.231	-0.744	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@@H](O)[C@H](C)O	717356548	PTTZUQHMUNRNHK-HCWXCVPCSA-N	240.097	-0.372	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)CBr	717369659	ZCKMXLJINLXBJQ-ZCFIWIBFSA-N	239.113	-0.580	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)C2CCC2)C1	732291664	DBCXJUJKXJCAPH-SECBINFHSA-N	225.292	-0.114	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)NCC(=O)OC	779823591	SMWUOUAZTOVNJN-ZETCQYMHSA-N	231.252	-0.273	50	10	BBGE	
CC[C@@H](C)CC(=O)NNC(=O)[C@H]1COCCO1	790698700	ZINXEVYTVZQMBE-RKDXNWHRSA-N	244.291	-0.015	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)[C@H]1CCCS1	819669829	RBBGGZMLOGVCLP-SSDOTTSWSA-N	230.289	-0.422	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)CN(C)C)C1	896129309	ROZOSWXIJLPWMZ-YUMQZZPRSA-N	229.280	-0.880	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O	1136045895	JSQJFAMWHNGDMJ-ZETCQYMHSA-N	215.253	-0.699	50	10	BBGE	
NC(=O)NCCC(=O)NCC(Cl)Cl	1157072504	ZXWXJLGNMVKASL-UHFFFAOYSA-N	228.079	-0.035	50	10	BBGE	
COCC(=O)NNC(=O)Cc1ccccn1	1251656925	ULTSFUJOROLMQT-UHFFFAOYSA-N	223.232	-0.582	50	10	BBGE	
CNC(=O)NNC(=O)c1cn(C2CC2)nn1	1583197630	KAYKPNZUUXMNJO-UHFFFAOYSA-N	224.224	-0.813	50	10	BBGE	
CCC(=O)C1(C(=O)NNC(=O)NC)CC1	1597341273	PGPXNVZPZKVBOD-UHFFFAOYSA-N	213.237	-0.294	50	10	BBGE	
COc1cc(C(=O)NNc2nc[nH]n2)ncn1	1611410263	AMSSZGRVCWCGKL-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc2nccn12	1625506808	LBXCEJNWFVHFAQ-UHFFFAOYSA-N	233.231	-0.092	50	10	BBGE	
Cn1cncc1C(=O)NNC(=O)c1ncccn1	1626775795	GWCYGCWWLGPALB-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
C/C(C#N)=C/Cn1c(=O)c(C#N)cn(C)c1=O	1643612669	RYDSGXPKULRGLA-BAQGIRSFSA-N	230.227	-0.111	50	10	BBGE	
C=CCC(F)(F)C(=O)NNC(=O)CN(C)C	1648531368	USGAAFKNRNTUMZ-UHFFFAOYSA-N	235.234	-0.093	50	10	BBGE	
O=[N+]([O-])C1CN(C[C@@H](O)CBr)C1	1881204583	KVECUHGHEGZADL-LURJTMIESA-N	239.069	-0.297	50	10	BBGE	
NCCSSCCNC(=O)CCO	1883279630	DFJMXXBTHKQZCE-UHFFFAOYSA-N	224.351	-0.175	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1[C@@H]2CCO[C@H]21	1884457647	ZOGAWNZPWMKHID-UBKIQSJTSA-N	218.640	-0.162	50	10	BBGE	
O=S(=O)(CCl)NCC[C@@H](O)CCO	1893418802	FCBPLCNOPNXEMZ-ZCFIWIBFSA-N	231.701	-0.765	50	10	BBGE	
O=C(O)[C@H]1CN(C(=O)F)CCS1(=O)=O	1894340831	YDRYZHDWHPHDQS-SCSAIBSYSA-N	225.197	-0.741	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCCO[C@@H]12	1895441864	WBHZKYCJTPUKHD-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
CC1CN(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1	1896930942	YKMBNNHWCWPTPC-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1C[C@@]2(CCN(C(=O)C(=O)NN)C2)CO1	1899554931	PCRQUINNSVMMES-GMSGAONNSA-N	227.264	-0.996	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	1900376744	NRIXSKWUCFVQKH-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)CCN1Cc2ncsc2C1	1900859960	NKLFVIWXODWUFZ-UHFFFAOYSA-N	212.278	-0.161	50	10	BBGE	
O=S(=O)(C1CCCC1)N1CC[C@H](B(O)O)C1	1902511797	JULNTDAIRZMQQV-QMMMGPOBSA-N	247.125	-0.193	50	10	BBGE	
OB(O)[C@@H]1CCN(CCO[C@@H]2CCOC2)C1	1902514217	WDOKNGIFNNRNJV-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
C[C@H](CO)CSc1cc(B(O)O)c(F)cn1	1903008911	CDGSABUMFGFXEW-ZCFIWIBFSA-N	245.084	-0.379	50	10	BBGE	
COC[C@@H](C)CNC(=O)N1CC[C@@H](B(O)O)C1	1905582740	CLCSLEZISKYWHU-DTWKUNHWSA-N	244.100	-0.473	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@@H]1CF	1909487121	FVEKHUFUVYDZAI-HTRCEHHLSA-N	238.027	-0.695	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)[C@@H]1C	1914345698	JNFWRLKPGPJTHL-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
N#CC[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1915018531	NZQXNXSOHASUMS-SECBINFHSA-N	222.292	-0.008	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC12CCOCC2	1929834735	GTTJXHMNUJJPBZ-QMMMGPOBSA-N	214.265	-0.584	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)CCC(=O)NN	1935550904	ZNDAZXXFQIBIDR-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(CC1CC(O)C1)C[C@@H]1C[C@H]1C(=O)NN	1936093718	GYJQNCMXDKBWCT-RVXWLBMTSA-N	227.308	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)[C@@H](C)C(=O)O	1936380570	FXIUPSODQIFWJA-PHDIDXHHSA-N	248.304	-0.004	50	10	BBGE	
NNC(=O)COCCN1CCCCCC1=O	1936528753	HHQLSELDVRYDPQ-UHFFFAOYSA-N	229.280	-0.605	50	10	BBGE	
O=C(Cn1cncn1)N[C@]1(CCl)CCOC1	1937145277	HWEBKPHXYYXROF-VIFPVBQESA-N	244.682	-0.208	50	10	BBGE	
CCN(CC(C)(C)C(=O)NN)C1CN(C)C1	1937467722	NROKBGVURUGTSY-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
COCC[C@@H]1CCCN(C(=O)C(=O)NN)C1	1937990878	HNDAHGKSHRHXGV-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
COC[C@@H]1CCCN1CC1(C(=O)NN)CC1	1938231408	WQQCCERMAFDSQL-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2nccc2C1	1941176840	BGQHJYQHESSAAI-SNVBAGLBSA-N	237.307	-0.287	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CC[C@H]2O	1941288805	RLTVBJUCVXCMET-VPJKUYQRSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]1CCCO	1941783703	COCZTVQYAKXVAZ-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC2(CCC2)C1	1946407435	IRJPZDLGZLPTLN-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)NCCOC[C@H]1CCCO1	1955515047	GKVCPXBMSGZZIK-SSDOTTSWSA-N	203.242	-0.645	50	10	BBGE	
C[C@@H]1C[C@H](CN2CC(=O)OC(=O)C2)CO1	1958073557	OYYXTKSKSSVOSA-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
CCCOC1CN(CCCC(=O)NN)C1	1958196165	XHGJVAMJIXLEOI-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CN(C)NC(=O)C1CCN(CCN)CC1	1958596427	KQWMMWVFIWTSBZ-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)CCCCl)C1	1958916738	CTOVVSUVUWJDPC-UHFFFAOYSA-N	234.683	-0.282	50	10	BBGE	
C[C@@H]1CCC2(CC2)N(C(=O)C(=O)NN)C1	1961067812	KWRPJNIAWTZQDV-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2C[C@H]2C)n1	1961687476	LZNAYSARNCXBLU-HZGVNTEJSA-N	207.038	-0.143	50	10	BBGE	
CCCCOc1ncnc(C)c1B(O)O	1961693584	ABVVLDNPXGDEPJ-UHFFFAOYSA-N	210.042	-0.356	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cccc(B(O)O)c1	1970329162	MMCZEDHHPWCSNW-GFCCVEGCSA-N	245.087	-0.102	50	10	BBGE	
O=C(O)[C@H](CB(O)O)N[S@](=O)C1CCCC1	1976994346	HXKRGRUBWYQOCU-HYORBCNSSA-N	249.097	-0.892	50	10	BBGE	
CON([C@H](C)CCC(=O)NN)[C@@H]1CCOC1	1978750916	QVNDWBXJDFQGAR-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(CCCC(=O)NN)C1	1979550700	JKOPAJJSBPETTA-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@@H](O)C1	1980518449	GVMVPDBIFBPCGD-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
CC1CN(Cc2nn(C)cc2C(=O)NN)C1	1980592739	JKXMGTNALIYZRE-UHFFFAOYSA-N	223.280	-0.525	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[S@@](=O)[C@H](C)C1	1981188702	QXWIAHLKPVHWOR-ABFUHYCJSA-N	247.364	-0.402	50	10	BBGE	
OB(O)c1cccnc1N1CCC2(CC2)C1	1981423929	LLHKSWWLSDGMRG-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
CC(C)(F)[C@H]1CCCN(C(=O)C(=O)NN)C1	1984254714	YNRGJZWVNNLZEI-ZETCQYMHSA-N	231.271	-0.037	50	10	BBGE	
CN(C)C[C@@H]1C[C@H](Cl)CN1c1nnnn1C	1984282868	GEFDVAPFCMLNTK-YUMQZZPRSA-N	244.730	-0.042	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC(C)(C)[C@@H]1CO	1986922106	BSMSOEBBUSQYTP-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](NC(=O)C1CC1)c1nscc1B(O)O	1987174707	IILGTQZOOHNJGC-RXMQYKEDSA-N	240.093	-0.590	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccncc1F	1991327581	APSRDXKFUKBXCV-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
CC1(C)[C@H](O)CCCN1CCCC(=O)NN	1991460577	NGOLKRFBJDRCHF-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
COC[C@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C1	1991713405	SLABSZLNJPJWBL-PBKGFPTLSA-N	247.678	-0.082	50	10	BBGE	
CC1CCN(C(=O)NCC#CB(O)O)CC1	1992143918	WMNQUBZIVALZST-UHFFFAOYSA-N	224.069	-0.557	50	10	BBGE	
COC1(C(=O)NCC#CB(O)O)CCCC1	1992154467	YVHWLABDDCENCV-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12COC[C@H]1C2(F)F	1998712119	ILVNXGLXQBQDML-ZXFLCMHBSA-N	249.261	-0.422	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](c2cnn(C)c2)C1	2004400211	XFWXBXKLGVROAJ-DTWKUNHWSA-N	237.307	-0.412	50	10	BBGE	
CN(CC(=O)NN)Cc1cnc2cccnn12	2004699882	LLYKGJGKMGRCQQ-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
Cc1nc(N2C[C@@H](F)[C@H](C)C2)ccc1B(O)O	2005015107	WDBSVKZLSXRTDW-GMSGAONNSA-N	238.071	-0.136	50	10	BBGE	
Cc1cnc(N(C)CCN(C)C)c(B(O)O)c1	2005018231	QEPRZOLROGVSDV-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2008045280	HPBPVZUZCHHHBD-DBIOUOCHSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H]1CC(N)=O	2011912127	FOLWJMWATIBUAX-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
C[C@H](O)CN(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018243793	VYMDEQJREPZLCS-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
O=C(COc1ccccc1)NCC=CB(O)O	2020056331	JYANHUAXDHWHKL-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCC1COCCOC1	2024300379	PUIUWAFSRLLJFA-NXEZZACHSA-N	244.291	-0.708	50	10	BBGE	
COc1ccccc1Oc1ncc(B(O)O)cn1	2052521358	LVKUXBWUGVKGQA-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(B(O)O)cc1C	2060032497	SKEZNAYFRQUFPN-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
C[C@@]12CC[C@@]1(C)CN(c1ncncc1B(O)O)C2	2060857962	KCBZEFHQTWPNDO-RYUDHWBXSA-N	247.107	-0.217	50	10	BBGE	
CC1(NC(=O)Nc2cccc(B(O)O)n2)CCC1	2069314544	PZDJLFYRJZHTHE-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C2C[C@@H]3C1[C@@H]3C2	2071234937	FFSVBDKNBQQKHE-XIYHTJDTSA-N	245.087	-0.570	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2CC[C@@H]21	2079008828	NHMSAOFWMKLNRM-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
CCOC(=O)[C@H]1C[C@H]1C(=O)NN(C)C	2209420515	MZRAJXZKEGREDJ-RQJHMYQMSA-N	200.238	-0.222	50	10	BBGE	
O=C(NNCCO)[C@@H]1OC[C@@H]2CCCC[C@H]21	2210298209	ZQTYNVWIZUNLPO-IVZWLZJFSA-N	228.292	-0.195	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2210374804	QGXCJKUBDKRIFT-SDNRWEOFSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCc1cnn(C)c1	2210501679	XBSSXOMAZZMYDD-MRVPVSSYSA-N	225.296	-0.727	50	10	BBGE	
COc1cc(F)cc(C(=O)NCB(O)O)c1	2210620316	MAJSCDMPOMKTIA-UHFFFAOYSA-N	227.000	-0.424	50	10	BBGE	
COC1CC(Nc2ccc(B(O)O)cn2)C1	2212602970	BHAKFSJHWSLTSC-UHFFFAOYSA-N	222.053	-0.649	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)CC(=O)NNC(C)=O	2214966047	YFZVPMIEHARHDO-UWVGGRQHSA-N	243.307	-0.490	50	10	BBGE	
CO[C@H]1CC[C@@H]1COc1cncc(B(O)O)c1	2215110471	SIYXRVAYXPMSTJ-KCJUWKMLSA-N	237.064	-0.435	50	10	BBGE	
CCc1nccn1-c1nccc(B(O)O)c1F	2217165679	ZYDZEGRUIJYSEM-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1cc(B(O)O)ccn1)C2	2217174623	WNRNOOMHFMKLKQ-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
CC[C@@](C)(CCO)Nc1cc(B(O)O)ccn1	2217175546	KIQWUISFCZVFDC-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
NC1(CCNc2nccc(B(O)O)c2F)CC1	2217180112	FMWRRGGUSPSGEX-UHFFFAOYSA-N	239.059	-0.806	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@]23CCOC3)c1	2217195439	KDQQKUADIUZKMW-GXSJLCMTSA-N	234.064	-0.648	50	10	BBGE	
CCn1ccc(=Nc2ccc(B(O)O)cn2)[nH]1	2217198232	YNCJEXDYZQKIIN-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
C[C@H](CCN=c1ncc(B(O)O)c[nH]1)C(F)F	2217198475	BSTMQSRDCQFCHV-ZCFIWIBFSA-N	245.038	-0.719	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CC[C@@H]3C2)c1	2217198838	HASUDKYYAAHGME-VHSXEESVSA-N	232.092	-0.002	50	10	BBGE	
C[C@H]1COCCCN1c1cc(B(O)O)ccn1	2217200596	UGDZUKBTQNAMGO-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CC[C@H]1O	2220059911	TZQUELAEBRKEMS-GXFFZTMASA-N	249.119	-0.431	50	10	BBGE	
CNC[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223643655	YIQJTXKJAYLLDW-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
Cc1cnc(N2CC[C@@H]([C@H](C)N)C2)cc1B(O)O	2223649209	VOYJMAQSIBEMRR-VHSXEESVSA-N	249.123	-0.757	50	10	BBGE	
N[C@@H]1CCN(c2ccc(B(O)O)cn2)C2(CC2)C1	2223679883	VRVUOBNDCBOMQV-SNVBAGLBSA-N	247.107	-0.779	50	10	BBGE	
C[C@H](SC[C@H]1CCCN1)C(=O)NN	2241290841	MHBAPBLBEKCUBG-NKWVEPMBSA-N	203.311	-0.150	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC1(C)COC1	2242122373	QEEKMPDZMLDUNK-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
C#CCSCCNC(=O)C1(B(O)O)CCC1	2243346746	BXEXCZLTBYGYCL-UHFFFAOYSA-N	241.121	-0.134	50	10	BBGE	
COC[C@H](C)CCNC(=O)C1(B(O)O)CC1	2243364066	QIOMCRCJWILWBO-MRVPVSSYSA-N	229.085	-0.218	50	10	BBGE	
CCCCNC(=O)c1cncc(B(O)O)c1	2243376774	PDFJHIBPPZZBTF-UHFFFAOYSA-N	222.053	-0.709	50	10	BBGE	
Cc1sc(C(=O)N2CCCN2)cc1B(O)O	2243381361	FMKWGXHCPLRDTQ-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](C)O	2243396407	LSZKNBIXAKPGJI-XSPKLOCKSA-N	229.085	-0.485	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(C2CC2)CC1	2243400855	ISHTVVPTMLUJQP-UHFFFAOYSA-N	221.065	-0.350	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1sccc1B(O)O	2243406528	ALJOKVGUOVDWJM-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(F)CC1C2	2243426474	IOGUFUCHXVMLET-NLZKFAMNSA-N	227.044	-0.048	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)[C@@H]1C[C@@H]1B(O)O	2243427040	PHLAFVDRGYAXRS-XAVMHZPKSA-N	227.069	-0.731	50	10	BBGE	
C=CC(=O)N(C)Cc1cccc(B(O)O)c1	2243685300	REESWLWYRVOMGG-UHFFFAOYSA-N	219.049	-0.489	50	10	BBGE	
Nc1cc(F)cc(F)c1C(=O)NCB(O)O	2244498785	UESSEQYAARYZKX-UHFFFAOYSA-N	229.979	-0.711	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSCC2COC2)O1	2244506218	VIZKZAXSLBXYNO-DTWKUNHWSA-N	246.332	-0.097	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cc(B(O)O)sn1	2245951912	GHEFJRXODLZGSB-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC2(C)C)n1	2247142277	LFILWWJVWCJCKI-UHFFFAOYSA-N	236.080	-0.241	50	10	BBGE	
Cc1ccnc(CNC(=O)C#CB(O)O)c1C	2247740767	PFYKJUQJGKGTAI-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
COc1cccc(C)c1NC(=O)C#CB(O)O	2247741484	AQZLBAMEJAJBRA-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)C1(B(O)O)CCC1	2247756055	LVHZNZZYGYUFMR-SNVBAGLBSA-N	240.112	-0.277	50	10	BBGE	
CCN(O)C(=O)c1cc(OC)ccc1B(O)O	2247758195	LKENASDDCKUAMB-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1C[C@H]1B(O)O	2247792000	PSKDRNVWPJHZOF-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@H](B(O)O)C1	2247796880	DPWSSHRPVCZNQJ-GUBZILKMSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1NCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247799587	FUZLREZTBYCQLR-JXUBOQSCSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1cnn[nH]1	2247804596	HWBPNFZFNGGVOG-FSDSQADBSA-N	238.056	-0.765	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	2247806153	MHJUYOWHQGKKNE-KGDYZURWSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2n[nH]cc2C1	2247808057	JVPSLRALMOPHLO-HTQZYQBOSA-N	235.052	-0.843	50	10	BBGE	
O=C(N[C@@H]1CCNC2(CC2)C1)[C@H]1C[C@@H]1B(O)O	2247809481	PKTJFGBNEFAVHG-VGMNWLOBSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1CNCC2(CC2)C1)C1(B(O)O)CC1	2247853224	IGQYQCBSHQWGLO-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NOC(C)C	2247856255	GLSFGZGSACECPG-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1coc(B(O)O)c1	2247870418	JJPACNMTEGLYFY-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
O=C(N1CCCNCCC1)C1(B(O)O)CCC1	2247874280	KZIWBKYCQCDQSY-UHFFFAOYSA-N	240.112	-0.405	50	10	BBGE	
C[C@H](CF)NC(=O)c1c(F)cccc1B(O)O	2247875497	ZNCPOXXDFDPLNQ-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(N1CCOC[C@H]1C1CC1)C1(B(O)O)CC1	2247877596	BYACMUKPEMDNOI-VIFPVBQESA-N	239.080	-0.369	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H](CCO)C1	2247894377	GCDHDEQFQCNTSW-LPEHRKFASA-N	241.096	-0.530	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H]2[C@@H]1CO	2247895697	VBJHVBNWDPIFAN-WLRJLXCNSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(C(=O)C2CC(B(O)O)C2)C1	2247909151	FWQWQICCNZADOD-AUXWQGHOSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)CN(CC1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2248573832	KBJWPKMIPLVUSD-YUMQZZPRSA-N	241.052	-0.828	50	10	BBGE	
O=C(C1[C@@H]2COC[C@@H]12)N1CCC(B(O)O)CC1	2249357860	SNJAYLBWPCCNRD-RKDXNWHRSA-N	239.080	-0.656	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249614395	SJRKFWXNCISBDD-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCCC1(F)F	2249999936	BOFPVBYKJXVWJV-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
C=CC(=O)NCc1ccc(OC)c(B(O)O)c1	2253235954	ZBFLYWIXDLFPAU-UHFFFAOYSA-N	235.048	-0.823	50	10	BBGE	
COC[C@@H](OCc1cncc(C)c1)C(=O)NN	2253368991	AZYYAENDEWFNAG-SNVBAGLBSA-N	239.275	-0.088	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccoc1	2255467638	PYOZMLQKGIOAFU-ZETCQYMHSA-N	248.047	-0.222	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ncccc1B(O)O	2255520012	FCUYXQVTQPRBBJ-QMMMGPOBSA-N	247.063	-0.864	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1n[nH]cc1B(O)O	2255551795	BWOBXTXZGRVFGZ-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]32)oc1B(O)O	2255573580	PBWGCKNUMWMQRI-BDAKNGLRSA-N	249.075	-0.108	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nn1cccc1	2255682125	BTLSBIHJCXQOIF-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ncccc1B(O)O	2255690982	KEMDMASANQGWBN-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CCC[C@H]21	2255730674	RHTIIPBOGBSDDP-JZYVYDRUSA-N	248.091	-0.767	50	10	BBGE	
C=CC1CC(NC(=O)c2ccncc2B(O)O)C1	2255734190	XAKDJIGJCDSSMG-UHFFFAOYSA-N	246.075	-0.544	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)ccc1O	2256018322	LWMNDFDAIVJPFW-GMSGAONNSA-N	249.075	-0.448	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1cc(B(O)O)co1	2258137565	YAGUKLUFDNPBLJ-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2258153662	VVORPYGLFUEGQB-LITAXDCLSA-N	247.059	-0.560	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCC[C@@H]1CC2	2260686327	SLMKQGBCSFWXAC-SKDRFNHKSA-N	248.091	-0.497	50	10	BBGE	
COc1ccc(B(O)O)cc1OCc1ncco1	2260817292	XPTHLTFRSPMCMB-UHFFFAOYSA-N	249.031	-0.058	50	10	BBGE	
CCOC(=O)C(C#N)=CNCC(=O)OC	2295663672	JZECVSRZPOJWQM-UHFFFAOYSA-N	212.205	-0.280	50	10	BBGE	
COC[C@@H](COC[C@@H]1CC[C@H]1C(=O)NN)OC	2298165242	MHHFSWLKMIHDQQ-LPEHRKFASA-N	246.307	-0.320	50	10	BBGE	
CC[C@H]1CCOC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368953	CZBJCNMSPRJWGV-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369864	HYIHPVPQJQTFBU-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371536	NOPPGYYADXRSKM-SGIHWFKDSA-N	240.112	-0.517	50	10	BBGE	
COC1CC2(C1)C[C@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298371901	ZDAHQEMJJAMULF-PKNFABCVSA-N	239.080	-0.467	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@H]1B(O)O)[C@H]1CCOC1	2298377173	HABADNOZASKRBA-LPEHRKFASA-N	237.064	-0.900	50	10	BBGE	
COc1ccn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1	2298955480	RLWNAZTXAWDXCG-APPZFPTMSA-N	237.259	-0.517	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C[C@H]1C[C@@H]1C(=O)NN)C2	2301478923	JXTWTPXIZDIVHN-GPTQDWHKSA-N	239.319	-0.542	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	2302207831	MYKXSDZZCGWBPN-XLPZGREQSA-N	249.261	-0.279	50	10	BBGE	
CCCn1ncnc1CN1CC[C@H](B(O)O)C1	2303098536	FPZXCRDPNNVHFU-VIFPVBQESA-N	238.100	-0.263	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H]1[C@@H]2CO)C(=O)NN	2303424363	QVFRAPAPGHXRNN-WYFGTUCQSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)c(F)cn1)[C@@H](C)O	2303835872	DJMNVMLQMISBBG-HZGVNTEJSA-N	242.059	-0.528	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@@H]1C2	2312849846	ZABWBGYYYPIBKC-HFJPGXAFSA-N	249.079	-0.992	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1ncccc1B(O)O	2316957582	ZKXAQIKUVOSRAZ-MBTKJCJQSA-N	248.091	-0.464	50	10	BBGE	
C[C@H]1CNCCN1c1ccc(B(O)O)cc1C#N	2317155980	SYNYEPNLNRZFPG-VIFPVBQESA-N	245.091	-0.964	50	10	BBGE	
C#C[C@H]1CCCCN1c1cc(B(O)O)c(F)cn1	2320792208	BGSOKCWKYDANQX-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)CC1	58847738	ICECDRHTJHTAOG-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCNCC1	82469771	KFSFCYDNJXVNJR-UHFFFAOYSA-N	224.264	-0.712	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCCO1	82469914	FENPNNYFNFSQOI-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
Cc1cnn(C[C@@H]2CC[C@H](C(=O)NN)O2)c1	82471449	OOIKDSBOYJGRGM-DTWKUNHWSA-N	224.264	-0.271	50	10	BBGE	
Cc1cscc1CNC(=O)C(=O)NN	87311127	OXEMFRFAODUYMT-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCc1nnn[nH]1	95202949	NDJJXTWTBUAUQJ-SCSAIBSYSA-N	203.633	-0.514	50	10	BBGE	
CCCNC(=O)CN(C)CCCCC(=O)NN	110589100	ZTCPSEYGADGXID-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CN(C)NC(=O)NCC1(C(=O)O)CCOCC1	149040231	HVZAFLCMULTFJB-UHFFFAOYSA-N	245.279	-0.356	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H](O)CCl)C1=O	157829812	SEQONSXOGYYJGP-PHDIDXHHSA-N	205.641	-0.019	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C(F)(F)F	200461097	ZWDFGILQQAQEFP-UHFFFAOYSA-N	246.981	-0.455	50	10	BBGE	
COC[C@H](SC[C@H](C)CN)C(=O)NN	232421707	FLAROAFEOWVSMO-RQJHMYQMSA-N	221.326	-0.681	50	10	BBGE	
COC(=O)c1cc2c(B(O)O)cccc2[nH]1	238389865	HHXIANSERBFLIP-UHFFFAOYSA-N	219.005	-0.366	50	10	BBGE	
CN1CCC([C@@H](N)C(=O)NN(C)C)CC1	258984504	FJIKIDKXWSRZIX-SECBINFHSA-N	214.313	-0.752	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@@H](C)C1	300837872	GGQSXFSFORTFEU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1c(O)cc(O)c2ccsc12	306864284	KDUOPQQPHTWNKZ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Nc1cc(B(O)O)c2sc(N)cc2c1	307290029	IGKLVZHTTBFYPG-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
Nc1cc2ccc(B(O)O)c(N)c2s1	307297926	VQLPXZNSSPAGSG-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COC[C@H](C)CN(C)CCC(=O)NN	308516752	NAXHLJJUZYNCLU-MRVPVSSYSA-N	203.286	-0.419	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(OC)C1	309376426	QGHYFBRLZKLISM-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](N)CN(C)CC(=O)NNc1ccccn1	310293942	OJYQRAKCOQGJEW-SECBINFHSA-N	237.307	-0.196	50	10	BBGE	
COCCOCC(=O)N[C@@H]1COC[C@H]1Cl	323416623	XGEFOOUCPLHHRY-HTQZYQBOSA-N	237.683	-0.228	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](O)CC1	378689766	HPSHFNHYIFZICM-SECBINFHSA-N	229.280	-1.000	50	10	BBGE	
CC(=O)NNC(=O)CNCc1ccncc1	381196242	AFFVGHRINVQAJK-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
O=C(NNCC(F)(F)F)[C@H]1COCCN1	381495252	MCFHVMLRTWDNKO-RXMQYKEDSA-N	227.186	-0.842	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)[C@@H]1C	385613042	FOPZRBZUJVWUAC-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
N=C(N)NCCCNC(=O)CBr	388439686	RREHEDHDXHWXFK-UHFFFAOYSA-N	237.101	-0.629	50	10	BBGE	
CN(C)C(=O)CCCNS(=O)(=O)CCl	390149942	IWFMMULIGCFFEG-UHFFFAOYSA-N	242.728	-0.030	50	10	BBGE	
O=C(CCCl)c1ccc(CO)cc1B(O)O	396043985	WYYQMVCCVJBQRA-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
O=CCCc1ccc(CC(=O)O)cc1B(O)O	396133598	QKVPOKIMNVBODT-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
O=CCCc1c(CC(=O)O)cccc1B(O)O	396136541	ZBTRGWWBEXUQSH-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(OC(F)F)C1	399928751	NOKJZFUEMVGXJC-PHDIDXHHSA-N	237.250	-0.076	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)CCC(=O)NN	399993452	VLJWUKHYQLUWRS-UOWDBTKRSA-N	221.326	-0.935	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](C)C[S@@](C)=O	399994249	VUAMPMTWOVNBGH-HQMDJKHHSA-N	235.353	-0.546	50	10	BBGE	
N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NNc1ccccn1)C2	400072870	ICQRUZZLIVQCSA-YGOYTEALSA-N	247.302	-0.444	50	10	BBGE	
CCCC(=O)NCc1ccc(B(O)O)s1	405036998	SZRNBTOOUBWMCE-UHFFFAOYSA-N	227.094	-0.156	50	10	BBGE	
CCN(C)C(=O)NCc1sccc1B(O)O	405070813	HCEJLFHLHTYSIE-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1CCC(=O)NN	688639920	NXFJYCYCTXDVHK-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
NC(=O)C[C@@H]1CCN(C(=O)NC(=O)CCl)C1	690805146	LUEULPAZGNVULP-LURJTMIESA-N	247.682	-0.341	50	10	BBGE	
Cc1nn(C[C@H]2CC2(F)F)c(C)c1B(O)O	694278348	ZUPDTNRLNQWHOD-SSDOTTSWSA-N	230.023	-0.165	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@](C)(O)C1	695087982	QUAHPKYXDRZLHW-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CN1CCN(Cc2nnn(C)n2)[C@@H](CCl)C1	699464954	VBQCMTSXVUKHTE-QMMMGPOBSA-N	244.730	-0.435	50	10	BBGE	
NC(=S)NNC(=O)Cn1cnc2ccccc21	700860096	YHAQUHXOMYZGIS-UHFFFAOYSA-N	249.299	-0.099	50	10	BBGE	
CCO[C@@H]1CCN(Cc2ccccc2B(O)O)C1	701665587	FGENRWMLPSCWIA-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
C#C[C@]1(O)CCN(C(=O)NC(=O)CCCl)C1	708101952	HVTJOCSQMZYHQE-JTQLQIEISA-N	244.678	-0.079	50	10	BBGE	
COC[C@@H](CCl)NCC1CS(=O)(=O)C1	722772527	XBKOOLFPLGJRID-MRVPVSSYSA-N	241.740	-0.126	50	10	BBGE	
C[C@H](CN1CCCC[C@@]1(C)CO)C(=O)NN	723023263	PLLBWYFEDJSEEO-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
N#CC1=CCS[C]1NS(=O)(=O)CCN	725694167	FMHADICRDRSBSE-UHFFFAOYSA-N	232.310	-0.449	50	10	BBGE	
CCC[C@H](O)CC(=O)NNC(=O)[C@H]1CCCO1	817216415	ZXXYPWDLCIKBPK-DTWKUNHWSA-N	244.291	-0.136	50	10	BBGE	
CNC(=S)N(C)NC(=O)CN1CC(C)(C)C1	854920465	CTLXQDZNSLXKSC-UHFFFAOYSA-N	244.364	-0.205	50	10	BBGE	
CNC(=S)N(C)NC(=O)C1(OC)CC1	854927693	OOOHSSORHOGDHU-UHFFFAOYSA-N	217.294	-0.367	50	10	BBGE	
C=C(CN(C)C)C(=O)NNc1nnc(C)n1C	856048030	NNUJLTYMWVIEAX-UHFFFAOYSA-N	238.295	-0.316	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C(C)(C)C(N)=O	862500516	QGXRPFYMIIJVAM-UHFFFAOYSA-N	236.275	-0.233	50	10	BBGE	
CSCC(=O)NNC(=O)Cc1cc(C)[nH]n1	869013407	ZGHJXYKZXKZCJB-UHFFFAOYSA-N	242.304	-0.229	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccnc(C#N)c1	910149661	IIZUAXTXXULHQC-MRVPVSSYSA-N	234.259	-0.089	50	10	BBGE	
O=C1CCC(=O)N(C[C@H](O)CCl)N1	953112124	QMHLPGBFOBMXRN-RXMQYKEDSA-N	206.629	-0.760	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)on1	1134615371	WOBMDQDYNGGGPS-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
CC(C)(C)c1nc(C(=O)NNC(=O)CO)co1	1306820951	PVHZBMPXBUJCCP-UHFFFAOYSA-N	241.247	-0.275	50	10	BBGE	
CN(NC(=O)/C=C\c1ccncn1)C(N)=O	1320006809	YUCWOQYGZATVNF-IHWYPQMZSA-N	221.220	-0.469	50	10	BBGE	
Cn1nncc1NNC(=O)c1cc[n+]([O-])cc1	1611379320	DYQYRBIBBSEAOB-UHFFFAOYSA-N	234.219	-0.795	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2CCNC2=O)nc1	1634220529	BJQADAUDMFARGP-QMMMGPOBSA-N	245.242	-0.468	50	10	BBGE	
CNC(=O)NCC(=O)NNc1ccc(C#N)cn1	1645052986	RCVKPIATSBNAOE-UHFFFAOYSA-N	248.246	-0.675	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@H]2CC23CC3)nn1	1654423335	NLENJMQOAWNLFZ-ZCFIWIBFSA-N	247.258	-0.181	50	10	BBGE	
O=CNNS(=O)(=O)Cc1ccc(F)cc1	1858080882	UVAGYHJRKTVTGI-UHFFFAOYSA-N	232.236	-0.094	50	10	BBGE	
NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1Cl	1883635305	VPMMUWRHTWOUNA-UHNVWZDZSA-N	226.685	-0.982	50	10	BBGE	
O=C(NCC[C@@H](O)CO)[C@H]1C[C@@H]1Cl	1883637864	BKKSSTPYAFXWAH-VQVTYTSYSA-N	207.657	-0.527	50	10	BBGE	
CCN(CC)CCOCCC(=O)NN	1884750326	SPGMHTIDBSPXGY-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
OB(O)c1ccc(CN2CCSC2)s1	1892119945	RYYMYSJTVUTINO-UHFFFAOYSA-N	229.135	-0.066	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C(=O)[C@@H]1C	1893840622	IDLMWCFFHNKCIH-BWZBUEFSSA-N	213.281	-0.131	50	10	BBGE	
C[C@H]1CCN([C@H](C)CC(=O)NN)S1(=O)=O	1893852484	WJTLXLPAMSYBTC-RQJHMYQMSA-N	235.309	-0.821	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3[C@@H]2C[C@H]3O)CC1	1895650535	QNFSHRZQGRUTHB-XHNCKOQMSA-N	225.292	-0.788	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@@H]2CNC[C@H]12	1897225958	FIWMWDIAUREKGU-MSGXPLJYSA-N	244.678	-0.589	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NN(C)S(C)(=O)=O)CCN1	1901373078	GFXJNFFNFFPGQC-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)S(=O)(=O)C1CC1	1913794529	CBYPGIJCRKAPRW-XPUUQOCRSA-N	247.320	-0.964	50	10	BBGE	
NNC(=O)c1nc(CN2CC3(CC3)C2)ns1	1914512238	CYXILSKSCXUMIS-UHFFFAOYSA-N	239.304	-0.263	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C(=O)NN)C(C)C	1916836519	CWGWUDUULHEHEJ-YUMQZZPRSA-N	230.312	-0.933	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC2(CC2)C1)C(=O)NN	1926421552	RESUQAILTXLWBU-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@H]1CO	1927918288	QVMGKMXQYBKHTI-CIUDSAMLSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1CCC(F)(F)C(=O)N1CC(=O)NN	1928327478	AGCBMFGSFPOTRW-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCNCC1(F)F	1928639567	CJMVXAYVMIZTIC-LURJTMIESA-N	207.224	-0.176	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1F	1928693133	XUNOGQZXGCGKIJ-LYFYHCNISA-N	205.233	-0.967	50	10	BBGE	
O=C(NC[C@@H](Cl)CF)C1CS(=O)(=O)C1	1933141108	PRPZRYKDCZFXLU-LURJTMIESA-N	243.687	-0.276	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@@H](O)CCO1	1933453139	GCHWWJHLNQQTSU-NKWVEPMBSA-N	243.712	-0.358	50	10	BBGE	
CN(CC(=O)NN)C1C[C@@H]2COC[C@H]2C1	1934806325	PXQNVSXXZCXVEW-HTQZYQBOSA-N	213.281	-0.667	50	10	BBGE	
C[C@H]1CCO[C@H]1CCN(C)CC(=O)NN	1935344045	QWPWGYSOFFNNEU-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(CC1(C)COC1)CC(F)(F)C(=O)NN	1935934800	FXZIJVKKDISPGY-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)CCS1	1936535778	PGRRUUBVZVTZLC-UHFFFAOYSA-N	247.364	-0.180	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])c(F)c1	1944214577	WTPBBDLPHPGJJW-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
C[C@@H]1CN(C)CCCN1CC1(C(=O)NN)CC1	1945883100	UGMCKXZKWDNWRC-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1CCBr	1953617734	LGQVVATYIFCEEF-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955541084	NEUSUARMBVJHRE-LJASKYJCSA-N	216.668	-0.457	50	10	BBGE	
C[C@H]1CCCN1c1nc(B(O)O)cs1	1956966452	VMTJBTJAIWLJTM-LURJTMIESA-N	212.083	-0.188	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)C(=O)NN)no1	1958699860	RWGFYNGAYIOBJG-RXMQYKEDSA-N	213.241	-0.812	50	10	BBGE	
NNC(=O)CN(C[C@@H]1CCOC1)C1CC1	1961264190	QUZFIFWUFCJHMZ-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CCC1	1975100339	CIEHMNMCTRAKHJ-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1ncc[nH]c1=O	1979657403	DSKDHIGLPNEQLY-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
OB(O)c1cnccc1N1CCCC12CC2	1981416042	LBAXMKWCRXIIGZ-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
C[C@@H](COc1ncc(B(O)O)cn1)C1CC1	1981420225	HUYJJDLHXMUXKU-ZETCQYMHSA-N	222.053	-0.419	50	10	BBGE	
OB(O)c1cnc(N2CC(F)(F)C2)c(Cl)c1	1981468435	BNNRCRKSXMYAJH-UHFFFAOYSA-N	248.425	-0.130	50	10	BBGE	
C[C@H]1C[C@@H](N(C)c2nc(B(O)O)cs2)CO1	1981472107	NSFULWSOIRFZED-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
C[C@@H]1[C@H](COc2ncncc2B(O)O)[C@@H]1C	1985918072	ZXXJPKGOMPXBSP-RNLVFQAGSA-N	222.053	-0.563	50	10	BBGE	
NC(=O)[C@H]1C(=O)NCCN1CCCCCCl	1986328858	BIHPGWKELJHCDH-QMMMGPOBSA-N	247.726	-0.319	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]1CF	1989258226	UQSOJNFZMXFPAB-HTQZYQBOSA-N	225.028	-0.866	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](Cn2ccnc2)O1	1990163869	DIEFPTZVXYGPBY-RKDXNWHRSA-N	224.264	-0.189	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@]1(O)CCCOC1	1991652642	PJAQBWKQQQLPLW-JTQLQIEISA-N	247.678	-0.034	50	10	BBGE	
CCn1nnc(CN[C@@H]2CN(C)C[C@H]2Cl)n1	1992011497	GHVIPTPTTMWYQT-HTQZYQBOSA-N	244.730	-0.296	50	10	BBGE	
Cc1nc(-n2cc(F)cn2)ccc1B(O)O	1992090446	VJTMJTOETIADPJ-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
NNC(=O)C1(CN2C(=O)C[C@@]23CCOC3)CC1	1996643231	GFLBEQUHLLIDKS-LLVKDONJSA-N	239.275	-0.852	50	10	BBGE	
NNC(=O)CN1CCO[C@H]([C@@H]2CCCOC2)C1	2004402096	MKHCGLLTUZRITN-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](N(C)c1ncncc1B(O)O)C(F)(F)F	2004915827	DMRDPVLXOJQWTN-RXMQYKEDSA-N	249.001	-0.457	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncc(B(O)O)cn3)C[C@H]21	2004920376	JMWFNPPZKWZLOY-DTORHVGOSA-N	233.080	-0.751	50	10	BBGE	
CC[C@H]1CN(c2ncccc2B(O)O)CCO1	2004936428	ZFIJMBGOVXOUAA-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CC(C)(CN1CCO[C@H](CCO)C1)C(=O)NN	2005060343	IZWAFAFQZPLVIQ-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CCC(=O)NC1	2012017869	VXOHCKVAYBCYPZ-YIZRAAEISA-N	242.323	-0.789	50	10	BBGE	
CCOC12CC(C1)N(C[C@H]1C[C@@H]1C(=O)NN)C2	2013071894	OWQYOZHECGXNHE-HUXNSBQSSA-N	239.319	-0.134	50	10	BBGE	
Cc1nn(C)c(C)c1CN(C)CCC(=O)NN	2014377515	BNJGTMDSJCCQOL-UHFFFAOYSA-N	239.323	-0.151	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)CC(=O)NNC(C)=O	2019210160	MAUOJYTVFUKECH-UWVGGRQHSA-N	243.307	-0.490	50	10	BBGE	
Cc1ocnc1C(=O)Nc1ccccc1B(O)O	2042249099	JMWVINPIHJSRDZ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ncnc(-n2cc(C(C)C)cn2)c1B(O)O	2052595994	AYLBWYPMOKVRIR-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)ncc1B(O)O	2052620616	VYKOQEYVIOBNCQ-WDCWCFNPSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccc(N2CCC3(CC2)COC3)nc1	2057429901	UFPZVGJGAAFZMS-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
CCOc1cc(B(O)O)c([N+](=O)[O-])cc1C	2060019440	RCYIQUIRKXSJCB-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
O=Cc1c(F)cc([N+](=O)[O-])cc1B(O)O	2060053859	JXOLWVNOJAEPLU-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(F)cc1B(O)O	2060090831	LIEUNGOHNMFPPK-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1F	2060094612	XWHTZULABCVXRI-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC1CC2(COC2)C1	2061752908	AZNJXPOEVRXWBN-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
CC1(C#N)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838633	JMEKINJSEIZTAN-BDAKNGLRSA-N	222.292	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2C[C@@]2(F)C1	2212305298	FUSXBJVGUKJRNT-PSASIEDQSA-N	229.255	-0.412	50	10	BBGE	
CC(C)[C@@H](CO)Nc1cc(B(O)O)ccn1	2212604649	YEKDFEVTANDNEK-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H](O)C2)nc1	2212604697	REIPFJNMDQEODZ-IUCAKERBSA-N	222.053	-0.913	50	10	BBGE	
CC(C)(CN)COc1ccc(B(O)O)cn1	2212605567	HEMKEFSCWQVYNJ-UHFFFAOYSA-N	224.069	-0.875	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1C[C@H]2CC[C@H]1O2	2215206447	GFUFZMKYZUJOEZ-KXUCPTDWSA-N	241.291	-0.595	50	10	BBGE	
Cc1cc(CNc2ncc(B(O)O)cn2)on1	2217171633	CTNDIIFHMFWIDJ-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
COC[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217176337	VFADGPGEUPNVSM-WAAGHKOSSA-N	236.080	-0.402	50	10	BBGE	
OCC[C@H]1C[C@H](Nc2ncccc2B(O)O)C1	2217178409	VTDZDHOTPOMJOP-KYZUINATSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC2(F)F)c1F	2217184906	SCQBLFVILFEFOM-YFKPBYRVSA-N	245.997	-0.032	50	10	BBGE	
CCNC[C@@H](C)Oc1nccc(B(O)O)c1F	2217193500	NMTXQELUJYPHTQ-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
CC[C@@H](N)CCOc1nccc(B(O)O)c1F	2217193637	NXCNHTVWMOCHHU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CN1CCC[C@@H]1CNc1ccc(B(O)O)cn1	2217194695	BUWKEELKMOSSDH-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
N#C[C@@H]1CCCN(c2ncccc2B(O)O)C1	2217198208	YBBAUIOWBQTCIO-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058466	LQCCGUUIUSAZFC-ZYHUDNBSSA-N	249.119	-0.431	50	10	BBGE	
CC(C)C1(O)CN(Cc2cccc(B(O)O)c2)C1	2220062104	JGTQHGRNSBZVNR-UHFFFAOYSA-N	249.119	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(n2cccn2)C1	2221574509	XKYATMLWYXBLHU-GXSJLCMTSA-N	249.318	-0.244	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cn(C)cn1	2223626488	IATOQTFPCBRVOR-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CO[C@H]3C[C@@H]2C3)[nH]c1	2223650081	HZNBSJINULTNCD-ATZCPNFKSA-N	248.091	-0.980	50	10	BBGE	
C[C@@]12CNC[C@@]1(COc1ccc(B(O)O)cn1)C2	2223657595	CRQIELBRAQTZNC-VXGBXAGGSA-N	248.091	-0.860	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cnn(C)c1	2223668037	WIDLRBRTZYSOLI-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
C=C(C)CNC(=O)c1ccncc1B(O)O	2243349191	HNPGGKSSQCMBIL-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@@H](F)C1	2243350035	UOHPSDXHGXAMND-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
NC[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243365155	INWXIFKPZOFCHF-QMMMGPOBSA-N	226.085	-0.809	50	10	BBGE	
CCN(O)C(=O)c1cc(C)cc(B(O)O)c1	2243367236	PRTCKUHBPITOGN-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
CCON(C)C(=O)c1cc(C)c(B(O)O)o1	2243377640	DHQSOYQYXSQODY-UHFFFAOYSA-N	227.025	-0.709	50	10	BBGE	
O=C(NCC1CCC1)c1sccc1B(O)O	2243407403	RCUVMDUCORGPMV-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CNC(C)(C)CNC(=O)C1(B(O)O)CCC1	2243409285	FLIQJIZENWRHTH-UHFFFAOYSA-N	228.101	-0.502	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1occc1B(O)O	2243411646	XXFAROPUMDQGAS-PHDIDXHHSA-N	221.021	-0.902	50	10	BBGE	
O=C(NCCN1CCC1)[C@H]1C[C@H](B(O)O)C1	2243415336	SGNHEWROWNSCKG-KYZUINATSA-N	226.085	-0.939	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC(N)C1	2243415739	ARABLZMOIAYNFH-QPIHLSAKSA-N	226.085	-0.813	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(CCO)C1CC1	2243425872	BVZUQEZORMNJAA-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)OC(C)(C)C	2243461854	WFJCBXJOEBPMQU-UHFFFAOYSA-N	225.053	-0.340	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)C1CN(C2CNC2)C1	2243751356	VSPVATHEDPYBGB-OIBJUYFYSA-N	243.738	-0.367	50	10	BBGE	
C=CC[C@@]1(CO)CCN(CCC(=O)NN)C1	2244837893	PKJAHUFXLHGDQI-LLVKDONJSA-N	227.308	-0.373	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H](F)C2)ncc1Cl	2245913310	PJJIDMXMIYXONH-ZCFIWIBFSA-N	244.462	-0.037	50	10	BBGE	
NNC(=O)N1Cc2ccccc2C[C@H]1CO	2246299392	FTQGBQSLGLGTHQ-JTQLQIEISA-N	221.260	-0.011	50	10	BBGE	
CN(C[C@H]1CC(C)(C)CCO1)C(=O)C(=O)NN	2246994225	NSLHTDOWIATSMW-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1ccc(COCC2COC2)c(F)c1	2247635622	WQYHPJKGMVDORH-UHFFFAOYSA-N	240.039	-0.332	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C=CCC1	2247722665	MWLUJEWYPAMPKM-QMMMGPOBSA-N	235.048	-0.284	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NOCC1CC1	2247732197	CZIIANHYFGJUMW-UHFFFAOYSA-N	239.036	-0.661	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccc(B(O)O)o1	2247738207	OFOUXZUILSUVME-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)[C@@H]1CCCCO1	2247742005	JCEVXZWWEJCQMJ-VIFPVBQESA-N	239.080	-0.534	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CCC1)C1CCC1	2247753333	FRVLQXKARYAICY-VIFPVBQESA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2247769465	IRBFEJKKYCIZQY-YUMQZZPRSA-N	234.064	-0.853	50	10	BBGE	
Cc1cc(C(=O)N(C)CC2CC2)oc1B(O)O	2247788956	NQZZUAIZEZNBQE-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@H]1C[C@@H]1B(O)O	2247796715	CARWGDFBGHYLKT-XKNYDFJKSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@@H]1O	2247798585	VPTUSJCGIWTTEL-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CN(C)C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247806017	CPXPRJCGBDWXJP-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808347	KVPROZOVCHGJRM-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2247808397	UVJYQOAWKJUIKG-SZEHBUNVSA-N	238.096	-0.798	50	10	BBGE	
C#CCCN(CCOC)C(=O)C1(B(O)O)CC1	2247852989	DMQMAVOHRGLCEA-UHFFFAOYSA-N	239.080	-0.508	50	10	BBGE	
CC[C@H](O)CN(C(=O)C1(B(O)O)CC1)C1CC1	2247853659	PMXMILPIGCMNLG-VIFPVBQESA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)CN1	2247854024	WFDIMIKAQMCMAY-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
COCCNC(=O)c1ccc(B(O)O)cc1C	2247860065	RLOSJCLIHGNOPR-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
O=C(NCCCCCF)c1coc(B(O)O)c1	2247871042	VDSMFFUDRVPXCQ-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)c1	2247873785	GSLZEIJXVHFBMG-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247878035	HAERWVVZRXDETI-WCBMZHEXSA-N	239.080	-0.512	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@H]2C[C@@H]2C)oc1B(O)O	2247891125	VJRZLSMGLWFFSZ-XPUUQOCRSA-N	237.064	-0.252	50	10	BBGE	
CCO[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893239	OLGVXSCSBRNYTF-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@H]1B(O)O	2247897936	YNRYQJMPZPINGM-XFWSIPNHSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247899194	LFTOANNCHKNZBN-YOWKYNACSA-N	245.034	-0.181	50	10	BBGE	
CC1([C@@H](CO)NC(=O)C2CC(B(O)O)C2)CC1	2247902834	HSGOTSATKUBWPI-AMDVSUOASA-N	241.096	-0.483	50	10	BBGE	
CC(C)CNC(=O)c1cc(B(O)O)ccc1O	2248029330	XYTCZDNJJVRZQF-UHFFFAOYSA-N	237.064	-0.542	50	10	BBGE	
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248574137	PADWWWQFXHDDRE-PRJMDXOYSA-N	241.052	-0.615	50	10	BBGE	
O=C(NO)c1ccc(B(O)O)cc1C(F)(F)F	2248576895	JQLLXFJOXROTMM-UHFFFAOYSA-N	248.953	-0.496	50	10	BBGE	
CC(C)(C=CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248577600	KITLFBGQIUFHKN-NKWVEPMBSA-N	241.052	-0.615	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@H]1NC(=O)C1(B(O)O)CC1	2248587034	KSSPSSCUQQQLAK-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)[C@H]1C(=O)O	2248590027	YESDYPICZDIZHB-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
C#CC1CC(NC(=O)c2cocc2B(O)O)C1	2249407850	OEHGDDRYUVXJSR-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)co1	2249409329	VJDRATJVTANXBI-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1cc(B(O)O)co1	2249420816	YSUJCAFIMNCMSJ-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CON(CC1CCC1)c1ncc(B(O)O)cn1	2251019931	HSRSGPWYHZOLSK-UHFFFAOYSA-N	237.068	-0.676	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CNCC1(C)C	2251543265	RGIQRNMVODPNTN-SECBINFHSA-N	242.323	-0.917	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2253271956	ZAFUZLBHPDNQIB-BQBZGAKWSA-N	242.084	-0.990	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2coc(B(O)O)c2)n1	2255443709	CUHOAVZUEFUVMG-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ccncc1B(O)O	2255454481	WSOSYVPDZVHTRU-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1ccoc1B(O)O	2255461437	HWPKJRRQDYHWEQ-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
Cc1cc(=NC(=O)c2occc2B(O)O)cc[nH]1	2255488756	JMSYZNHALMBPIL-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@]12CCC[C@H]1C2	2255501247	FVRYGGYWSANVIS-QPUJVOFHSA-N	248.091	-0.623	50	10	BBGE	
CN(CCc1ccncc1)C(=O)[C@H]1C[C@@H]1B(O)O	2255572237	WYZPSTFNALXCSZ-QWRGUYRKSA-N	248.091	-0.055	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C1CC1	2255734957	KHIZQWHCPMUVGX-NXEZZACHSA-N	248.091	-0.767	50	10	BBGE	
C#CCOCC(=O)Nc1ccc(B(O)O)c(C)c1	2256673608	DTUYVHISBJJZMV-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2298369830	GVTFXOFSXAIMPS-SRQGCSHVSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@@H]2CC[C@@H]21	2298375652	UIUBRULMSYXPKZ-GRDBIXFFSA-N	239.080	-0.779	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1ncccc1B(O)O	2300057708	WSNBVKPWJTZRQQ-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
CNC(=O)CN(C)CCC[C@H]1C[C@@H]1C(=O)NN	2300371915	NTGIFUSAMPNHHZ-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H](CC(=O)NN)On1nnc2ccccc21	2300926497	MHQLHBKSASGGCJ-ZETCQYMHSA-N	235.247	-0.372	50	10	BBGE	
CC(C)=C(CN1CCO[C@@H]2COC[C@@H]21)B(O)O	2301854120	HXPTVYDNYYPBMG-WDEREUQCSA-N	241.096	-0.566	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N2CC[C@](C)(B(O)O)C2)C1	2303110880	DWMIPNLMECMQMS-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1[C@H]2COCC[C@H]21)N1CC[C@@H](B(O)O)C1	2303111197	HBQADSLYOUTIAJ-DOLQZWNJSA-N	239.080	-0.656	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](F)[C@@H](CO)C1)C(=O)NN	2303421846	AUGQMENHQJWQFZ-FXPVBKGRSA-N	247.314	-0.345	50	10	BBGE	
OB(O)c1cc(=NCC2[C@H]3CC[C@H]23)[nH]cc1F	2303835368	VWMRLWCMPAYJKF-BQBZGAKWSA-N	236.055	-0.610	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CN[C@@H]2C3)cc1B(O)O	2312612271	MAQYZGFWLDJHQL-JMJZKYOTSA-N	247.107	-0.768	50	10	BBGE	
OC[C@@]12CC[C@@H](C1)N(c1ncccc1B(O)O)C2	2314908709	HUVSLQNEACEOFY-CABZTGNLSA-N	248.091	-0.887	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1CC(N)C1	2317160125	AEZBAPPJDBCLEC-UHFFFAOYSA-N	245.091	-0.613	50	10	BBGE	
O=Cc1ccc(NCCC2COC2)cc1B(O)O	2317348832	SSFDAGARFXFIHM-UHFFFAOYSA-N	249.075	-0.373	50	10	BBGE	
C[C@H](O)CN(C)CC(=O)NNc1ccccn1	51822023	CEOUYVXJJLPHAJ-VIFPVBQESA-N	238.291	-0.163	50	10	BBGE	
Cc1cc(-c2nc(N)nc(C)c2C(=O)NN)on1	66135192	JYLDVBGYBDULHZ-UHFFFAOYSA-N	248.246	-0.066	50	10	BBGE	
Cn1nccc1CNC(=O)NC(=O)CCl	70906300	USGWLKWREBNMLO-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
COC1CCN([C@@H](C)CC(=O)NN)CC1	82467398	HBYVPPRTMMORRP-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ccsc2=O)O1	82471555	SYCGMDLHFHMRTH-RNFRBKRXSA-N	243.288	-0.553	50	10	BBGE	
COC(=O)[C@@H]1C[C@@H](OC(=O)CCl)CN1	98089199	FMGCHSNFZUXZHN-RITPCOANSA-N	221.640	-0.328	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cnc(C#N)c1C#N	156312146	XIEHSVWBUNDWBN-RNFRBKRXSA-N	232.247	-0.187	50	10	BBGE	
CC(C)(CN1CCC[C@@](C)(O)C1)C(=O)NN	157537546	XIOKEYXBPPGYNS-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
NC(=O)NNC(=O)c1cccc(O)c1O	163295916	FFSRFGITNLWYNG-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
O=C1C[C@H](NC(=O)CCCl)C(=O)N1	169910739	RCIGMHKTSYQMTL-BYPYZUCNSA-N	204.613	-0.853	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2CCOC2)c1	203281050	AOGVZEUXFWJPQW-VIFPVBQESA-N	222.049	-0.218	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@@H](B(O)O)C1	211339957	RISVMOLYLYGSJZ-RNFRBKRXSA-N	206.072	-0.183	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOCC1(C)C	232419919	NPAIJNNYHXOAKI-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)c1cccc(CN2CCNCC2)n1	236230433	SCACFORYXLIPBR-UHFFFAOYSA-N	235.291	-0.910	50	10	BBGE	
NC(=O)N/N=C1\c2ccccc2C[C@H]1O	238569816	PHFOICXTYXLWLP-WLDSJTMESA-N	205.217	-0.024	50	10	BBGE	
O[C@@H]1CO[C@@H](F)[C@@H](Br)[C@@H]1O	238676020	JOCHESIJDDGQGG-KKQCNMDGSA-N	215.018	-0.203	50	10	BBGE	
O=C(Cn1cncn1)NN=Cc1ccccn1	254855984	MUKQHFDFAHZTOV-UHFFFAOYSA-N	230.231	-0.177	50	10	BBGE	
C[C@@H](O)Cc1ccc2c(c1B(O)O)OCO2	258425026	MBWAEFFYCWKEQB-ZCFIWIBFSA-N	224.021	-0.982	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)[C@H]2CCCO2)c1	294015264	SVIFXUNSTVQAFS-MRVPVSSYSA-N	238.247	-0.640	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@H](O)C1	299902435	CQZOZXHNCCLATF-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1CCC[C@](C)(O)CC1)C(=O)NN	300238240	LVAUMDACYQXVOG-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H]1CN([C@H](C)C(=O)NN)CCCO1	300828362	DZKSPOTZXVJIIR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NN	306734187	NVXNMKHRVFNPHJ-RNFRBKRXSA-N	245.279	-0.653	50	10	BBGE	
O=C1CN[C@@H]2C[C@@H](Br)CN[C@@H]2N1	307411068	KBMVEVGFRYNIEP-WYDQCIBASA-N	234.097	-0.843	50	10	BBGE	
NNOC(=O)CCN1CCSSCC1	308686481	ZRCSMJLUHOJUJK-UHFFFAOYSA-N	237.350	-0.005	50	10	BBGE	
COc1c(F)c(N)c(N)c(C(=O)NN)c1F	309174175	SXBRUDXNINTDBJ-UHFFFAOYSA-N	232.190	-0.259	50	10	BBGE	
OB(O)c1cc(Cl)nc(C2CCNCC2)c1	309271754	DMOYELWHKQIDER-UHFFFAOYSA-N	240.499	-0.118	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(F)(F)C1	313441680	NNEOHOQURVHLPK-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
COC(=O)/C=C(\N/C=C/C#N)C(=O)OC	383919961	JAVCLDSZUCYJOR-WZWXSLMZSA-N	210.189	-0.157	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(CO)cc(B(O)O)c1	396063363	WAJNVOZWWGORPQ-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
C[C@@H]1COCCCN1Cc1ccccc1B(O)O	398915491	JJSDSMWZXULNOV-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
CSC[C@H]1CCCN1C(=O)C(=O)NN	400313680	BTVWZFVQQXTUOG-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1sccc1B(O)O	404925413	ZPXKZJLYUXALPK-BQBZGAKWSA-N	239.105	-0.300	50	10	BBGE	
CNC(=O)Nc1ccc(C)cc1B(O)O	405149839	QHCKLNOGOCFTFQ-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
Cc1[nH]nc(C=NNC(N)=O)c1[N+](=O)[O-]	687761027	BNSWPJCKSNUQOU-UHFFFAOYSA-N	212.169	-0.371	50	10	BBGE	
C[C@H]1NCC[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692122721	DSAWFEODNRCEDG-ZJUUUORDSA-N	237.303	-0.139	50	10	BBGE	
CN1C[C@H]2CN(CCC(=O)NN)C[C@@]2(C)C1	702397478	QNQHUFCZGRHDSB-GXSJLCMTSA-N	226.324	-0.750	50	10	BBGE	
C[C@@H](O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452889	VSXIWNNLFKWJNB-NGJRWZKOSA-N	213.233	-0.328	50	10	BBGE	
OB(O)c1ccn(Cc2cc(F)ccc2F)n1	703688390	SXGDTPUGAJQRJM-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
CN(N)C(=O)c1cc([N+](=O)[O-])cnc1O	704640244	RWTUBELHHIBKLO-UHFFFAOYSA-N	212.165	-0.359	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708052152	UTOZOKDWEPNKDY-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
C#CC1(O)CCN(C(=O)NC(=O)CCl)CC1	708104555	PVWJMYHRDKSVSQ-UHFFFAOYSA-N	244.678	-0.079	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1CCC(=O)NN	708462905	LGYVGAXLTLGVGG-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2OCC[C@@H]2C1	724816888	UTZMWKONAJDOSD-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
CCOCC(C)=NNC(=O)[C@H]1COCCO1	745213012	NKHMTCQJZLQHFQ-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
Cc1nnc(NNC(=O)Cn2cccn2)n1C	856051402	CZOKPULNNVQROV-UHFFFAOYSA-N	235.251	-0.537	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CN(C)C[C@@H](C)O1	910139938	VBUGXKPKVNOTQN-AEJSXWLSSA-N	245.323	-0.951	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1coc(C(N)=O)c1	1141855224	HTBARCHMWPBPEG-LURJTMIESA-N	241.247	-0.664	50	10	BBGE	
CC(=O)NNC(=O)c1cc2n(n1)CCC[C@H]2O	1290391559	GHTBBSIWUBIROY-SECBINFHSA-N	238.247	-0.509	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1341499236	OOTIDBKTVCGGOS-OMKQZNDVSA-N	225.248	-0.630	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1c[nH]nc1[N+](=O)[O-]	1556926532	UNKHHZSZYWCVMG-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1Br	1877336289	KRPMBDPVRYNELY-KVQBGUIXSA-N	237.097	-0.794	50	10	BBGE	
CCS(=O)(=O)CC(=O)N1CC(Cl)C1	1882947193	VHIQIBTZSNSLPO-UHFFFAOYSA-N	225.697	-0.129	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NNC(N)=O	1884888703	DMXXZWZCGSRORN-NFNCENRGSA-N	207.180	-0.023	50	10	BBGE	
C[C@H]1[C@H](O)CN1[C@H](C)CCC(=O)NN	1885870998	CEGZHQCEZOMEEW-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
COC(=O)C1CC(C(=O)NN(C)C)C1	1887685586	JRKHIARNDBSZKC-UHFFFAOYSA-N	200.238	-0.222	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@H]1CO[C@H](C)C1	1888048962	CBLYYCNRZWAEAR-CSMHCCOUSA-N	202.254	-0.051	50	10	BBGE	
C#CCN1CCN([C@H](C)CC(=O)NN)C1=O	1895047262	FZKRRVCBRJOXGI-MRVPVSSYSA-N	224.264	-0.874	50	10	BBGE	
C[C@H]1C(COc2ncncc2B(O)O)[C@@H]1C	1896081529	ZXXJPKGOMPXBSP-RNFRBKRXSA-N	222.053	-0.563	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@H]2COC[C@H]21	1897219344	JSMRZVUZADUWPZ-RNJXMRFFSA-N	245.662	-0.474	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC(F)F	1901204981	SRGDDHSERWMKTB-UHFFFAOYSA-N	226.975	-0.118	50	10	BBGE	
NCCCSc1ccc(C=O)c(B(O)O)c1	1901284130	MKTVAKRRCBHEDX-UHFFFAOYSA-N	239.105	-0.380	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(N)CC1(C)C	1901338762	BZBPQKVOFWJJPI-VIFPVBQESA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCC1CNC1	1901368537	OBXGOFNLUBKRBH-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@H]2C[C@@H]21)B(O)O	1901612024	WYLNNKPWJFFCHC-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
CC(C)=C(CN1CC(CN(C)C)C1)B(O)O	1901638267	AZCUASKKEVSAGE-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
Cn1ncc(CN2CC[C@](C)(B(O)O)C2)n1	1902517740	LGFBQELHYDSNDQ-VIFPVBQESA-N	224.073	-0.746	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@]12CCC[C@@H]1C2	1909388524	UHYKYGWTDJXXJO-SKDRFNHKSA-N	233.076	-0.282	50	10	BBGE	
CCc1nccn1CCOCC(=O)NN	1928181307	MBHQPEZPLGFNAZ-UHFFFAOYSA-N	212.253	-0.548	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1928556862	NPNKMJHXQPWAQB-KHQFGBGNSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)CN1C[C@H]2C[C@H]1C(F)(F)C2	1934686168	OQOYJGFIFZITAE-WDSKDSINSA-N	205.208	-0.294	50	10	BBGE	
C[C@H](O)CN(CC(F)(F)C(=O)NN)C1CC1	1935927626	DABPBEWFIJFRHF-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@H]1C1CC1	1936113593	SKLWMAQBLLBGNE-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
CCO[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1938231572	ZJNYQXGBQAYUEX-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@H]1C[C@@H](O)C1	1938234784	YODJVZKHAPXVOA-DTORHVGOSA-N	227.308	-0.541	50	10	BBGE	
CC(C)N(CCCO)CC1(C(=O)NN)CC1	1938248603	IRGCDIPDPZBJHW-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](OC[C@@H]1COCCCO1)C(=O)NN	1939103335	XKKVDZTUHLMGRC-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
COC1CCC(OCCOCC(=O)NN)CC1	1941773047	RLEOFTFFULDKKB-UHFFFAOYSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC(CO)C1	1944081301	ZIMWXVLTQRRKMU-LLVKDONJSA-N	235.287	-0.358	50	10	BBGE	
CC(C)[C@@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1945892972	OIXSBAPVKYRUDU-GFCCVEGCSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(N)[C@H](C)C1	1949753317	XVFDJLZDHUMROH-HTQZYQBOSA-N	242.323	-0.931	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@@H]2C[C@H]21	1956876387	PYVKIDMSLLKOJG-PHDIDXHHSA-N	218.640	-0.066	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(CCO)C(=O)C1	1961453099	DTIKGSHQFBSQHZ-ZETCQYMHSA-N	234.683	-0.723	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	1961815207	LBFNSIGNJOWCRH-GENCIFFESA-N	209.293	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1976821437	XLILFTRJIGXNLI-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CO[C@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1	1980279230	ILKOEDCZHXDQCN-ZETCQYMHSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@@]2(O)C1	1980982006	MSGURJSQTDCOIQ-HTRCEHHLSA-N	235.234	-0.932	50	10	BBGE	
C[S@](=O)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	1981209427	WMKHRYPJWOVDRA-BCTVWOGZSA-N	247.364	-0.546	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1CCCC(=O)NN	1981411581	LZFIHMBZNSVOIC-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1nc(B(O)O)cs1	1981468478	CINJTPWOHDMVHJ-JIGDXULJSA-N	238.121	-0.085	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(C)C2)n1	1981469344	QUYBDIYIXVTYKD-UHFFFAOYSA-N	221.069	-0.771	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@@H]2C)c(B(O)O)c1	1981529031	AFZTVWULRHIOLY-WPRPVWTQSA-N	220.081	-0.086	50	10	BBGE	
CCOCCOCCO[C@H](CC)C(=O)NN	1985223841	VHLFHISQWJDUMJ-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	1985953220	WVSHFEJVWOMZRF-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
CO[C@H](C)COCc1ccc(B(O)O)cc1	1986050595	ANUCLLVHPCUZFN-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
CCCN1[C@@H](C)CN(CC(=O)NN)C[C@@H]1C	1987312467	KEQJPUTYEPLZFT-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@]12CN(C(=O)C(=O)NN)CC[C@@H]1C2(F)F	1987699031	UTJBUHNYYWUORL-YLWLKBPMSA-N	233.218	-0.520	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1CCOC1	1988004853	WEBCIAOWCKSSCZ-SSDOTTSWSA-N	227.000	-0.932	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1[C@@H](C)O	1990038458	GQRDQDNKWMRBEL-JLIMGVALSA-N	229.324	-0.154	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCCOCC1	1991330315	LQHMMENWVQEAMO-SECBINFHSA-N	227.069	-0.513	50	10	BBGE	
C=CCCS(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991330946	NFXOYVQXWHYGGA-SECBINFHSA-N	245.109	-0.417	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@H]1[C@H](O)CO	1991650367	BQXPXHGQUNECAO-JGVFFNPUSA-N	247.678	-0.348	50	10	BBGE	
COC(=O)[C@]1(N)C[C@H](NC(=O)[C@@H]2C[C@H]2Cl)C1	1991681761	DAPLGCXLQNBLDJ-DAGMQNCNSA-N	246.694	-0.237	50	10	BBGE	
C=C(CN(CC)Cc1cnnn1C)B(O)O	1992146471	UAOLPPXNCLGTBN-UHFFFAOYSA-N	224.073	-0.795	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@H]2C[C@H]2CO1)B(O)O	1992153047	LCEGCMBYKJPVEM-VWYCJHECSA-N	225.097	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12COC(C)(C1)C2	1993938817	GKUGDUUYJAXWAY-MFAVDMRSSA-N	227.308	-0.134	50	10	BBGE	
CCCN1CCN(C[C@H](C)C(=O)NN)CC1=O	1996755447	DNUYVRSLNNQTEM-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
C#CCC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1996930429	RLIFMWBDNMYFQT-JTQLQIEISA-N	235.287	-0.396	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@H](C)[C@@H](C)C(=O)NN	1997350889	IWKNXLHOAOIRRA-AXTSPUMRSA-N	247.339	-0.936	50	10	BBGE	
CC(C)NC(=O)C1CN(C[C@@H](C)C(=O)NN)C1	2002651744	FPUNEPKOZZRGNT-MRVPVSSYSA-N	242.323	-0.931	50	10	BBGE	
C[C@@H](CN(C)CCCn1ccnc1)C(=O)NN	2003834655	GYCDQZJSSMHRAH-JTQLQIEISA-N	239.323	-0.169	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CC2)C(=O)C1	2004024238	SCBNLNDRKZCMRX-QMMMGPOBSA-N	240.307	-0.939	50	10	BBGE	
CCOC(C)(C)COc1ncncc1B(O)O	2004935857	QXMDNJSTCUMJPT-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
COc1ccncc1CN(C)[C@@H](C)C(=O)NN	2008258247	ZXUAWHMEMUKLNE-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC[C@@H]2C[C@@H]12	2016497259	OIYKAQFLAGRESB-HRDYMLBCSA-N	234.064	-0.419	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]1C1CCOCC1	2022408265	NCLNQWDFNJPHIZ-RKDXNWHRSA-N	241.291	-0.845	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CC2(CCC2)C1	2052468418	CONNFKHZUJAEES-UHFFFAOYSA-N	247.107	-0.075	50	10	BBGE	
Cn1ncc2c1CN(c1ncccc1B(O)O)C2	2052492147	QKZMBTHOYKBIAA-UHFFFAOYSA-N	244.063	-0.985	50	10	BBGE	
Cc1nc(N2CC[C@H](N(C)C)C2)ccc1B(O)O	2052624768	IBNNZAXYSHAUNM-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1nc(N2C[C@@H]3CC[C@H]3C2)ncc1B(O)O	2052625093	JVPQIPSYIXVQCZ-YUMQZZPRSA-N	249.079	-0.989	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2CCO[C@H]2C1	2052625340	LJDXWLYINQFDIO-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])cc(Cl)c1B(O)O	2060105601	GJQPAXSAIZXORJ-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN(CC12CC(CO1)C2)c1ncccc1B(O)O	2072861290	IZUVALAVEACHGC-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2CC[C@@H]21	2079010960	WXJCRDJVOFCHBK-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
C[C@H](CCCl)NS(=O)(=O)N1CC(O)C1	2210089202	DKLHGHJRQUJBCY-ZCFIWIBFSA-N	242.728	-0.485	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@H](F)C1	2211138151	QJPFVHPUIKKDHG-ZETCQYMHSA-N	244.100	-0.243	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CCC12CC2)C(=O)NN	2211243894	IOKLWTAPMARHQZ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CCC12CC2	2211245579	PDNVFLNLEIOSAY-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
CC1(N)CC(Oc2cc(B(O)O)ccn2)C1	2212605264	AXXXBUJEHBTKJQ-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@@H]21	2213697638	WEVVPUYOAQJXOY-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
Cc1ccc(=O)n(Cc2cscc2B(O)O)c1	2214607234	HXYUPSMKFMBORX-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccno1	2216240388	ZCFPQDLWYOQLBG-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@@]2(F)C1	2216597297	HRDWBGVUGHEUTQ-GZMMTYOYSA-N	236.055	-0.300	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2216684054	JQCAORLDKPURHF-WYFGTUCQSA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2OCC[C@H]2F)c1	2217176466	WPYIAQSPGGSDSL-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@@H]3COC[C@H]23)nc1	2217179234	IHQJJUNZJBHGTK-OWUUHHOZSA-N	234.064	-0.934	50	10	BBGE	
C[C@@]1(CNc2ncc(B(O)O)cn2)CC1(F)F	2217183100	FNZJBHRWQCNSCL-QMMMGPOBSA-N	243.022	-0.386	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1Cc1cccc(B(O)O)c1	2220062675	MTRGZPCGDMQDMA-MFKMUULPSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC23CCCC3)[nH]c1	2223634261	IGWHVWUHYVCGGS-VIFPVBQESA-N	247.107	-0.430	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@@H]1CO)N1CC(Cl)C1	2241348151	NBSYKJFMVOUPAJ-VDTYLAMSSA-N	240.712	-0.875	50	10	BBGE	
CC1(F)CN(C(=O)C2(B(O)O)CC2)C1	2241480222	GJCWPJRDLWIYCI-UHFFFAOYSA-N	201.006	-0.436	50	10	BBGE	
CC#CCN(C)C(=O)c1csc(B(O)O)c1	2243356130	BPUFQTAXOBUMLI-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243395889	DNOCARSSVUDWHE-CIUDSAMLSA-N	227.069	-0.656	50	10	BBGE	
CC[C@H](CO)N(C)C(=O)C1(B(O)O)CCC1	2243397801	JLJXLIZXUKUGKI-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)cs1	2243397827	JWSCHBHYOAGAJH-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
C[C@@]1(C2CC2)CCCN1C(=O)C#CB(O)O	2243400389	AETPFDSKLNMMIV-NSHDSACASA-N	221.065	-0.207	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cscc1B(O)O	2243408527	OYJJVXKSQHEMOE-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H]2CC[C@H]21)B(O)O	2243412635	QJKKWCOAGIPLGE-DTWKUNHWSA-N	245.109	-0.631	50	10	BBGE	
CON(C(=O)c1sncc1B(O)O)C(C)C	2243413231	BTQCRLAMPPHKDN-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2conc2C1	2243426979	OJRFMSJSRBPPDU-BQBZGAKWSA-N	222.009	-0.620	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=C(F)C1	2244212539	RJNAHVATSREYSU-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
C#CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CC(C)C1	2244948254	DIFNWUFIXXVYIV-UVCIYIGYSA-N	221.065	-0.233	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2247736244	SXIYTUAUEGJJGY-QMMMGPOBSA-N	234.064	-0.757	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)C1(B(O)O)CC1	2247750217	GGWQQSMQPVLEEO-UYXSQOIJSA-N	238.096	-0.765	50	10	BBGE	
O=C(N1CCCC[C@H](CO)C1)C1(B(O)O)CC1	2247751408	XJOVHQIDKLOANA-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(C)c1B(O)O	2247752944	YMFNJRJGPRCELF-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1occc1B(O)O	2247757689	RYIHZIVHGKOZIP-HTQZYQBOSA-N	241.027	-0.420	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCCCC1	2247764282	QXVJJPMPHRBUMR-UHFFFAOYSA-N	236.080	-0.669	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)C1CCCC1	2247786272	YKVORQVNXMXSAK-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787197	MALJOPLIJQBCBX-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
Cc1cc(C(=O)N2C(=O)C[C@H]2C)oc1B(O)O	2247788183	AMQTYWBEIJASTF-ZCFIWIBFSA-N	237.020	-0.971	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(C)CCOCC1	2247790452	HNSSXDMDANFGGV-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1C[C@@H]2O	2247792041	QGOJPUHZZOSRMS-ZJDVBMNYSA-N	239.080	-0.779	50	10	BBGE	
CO[C@@H]1C=C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796675	BUXYXSJXWWNDIM-ZYUZMQFOSA-N	239.080	-0.301	50	10	BBGE	
O=C(NC[C@@]1(F)CCOC1)C1CC(B(O)O)C1	2247797116	GHKREPHUJXMHCS-KTOWXAHTSA-N	245.059	-0.516	50	10	BBGE	
N[C@@H]1CC[C@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797306	IKHNRRJEFKUBMK-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COCC[C@H]21	2247800568	QFLMZCDNMHXKAA-RVXWLBMTSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@H]1N	2247807310	QMPMFMZYMQZGJH-AATLWQCWSA-N	240.112	-0.565	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC12CCC2	2247808796	WFJVBCCXOVNEQZ-XHNCKOQMSA-N	238.096	-0.811	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)c1	2247809041	XRYRCYAEFFZPQA-MGCOHNPYSA-N	236.080	-0.106	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2cccnc21	2247810676	ZIKLPDDWSGJYRR-DTWKUNHWSA-N	232.048	-0.166	50	10	BBGE	
C[C@@H]1[C@@H]2CNC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2247872380	RBMWJMHNWUCZRV-HLTSFMKQSA-N	238.096	-0.940	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2247874243	PCEWWLHQKLNXSL-XCBNKYQSSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247877304	FZWQSNOQRFVXII-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@H]1O	2247895832	VPTUSJCGIWTTEL-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]n1C	2247896006	DCCJCNKULXSNPB-OCAPTIKFSA-N	237.068	-0.658	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@]23C[C@@H]3N)CC1	2248161358	RAMDUNKFZCFVRL-AUTRQRHGSA-N	235.287	-0.399	50	10	BBGE	
CC1(C(=O)O)CC(NC(=O)C2(B(O)O)CC2)C1	2248564951	BXPULBQIMWEMNH-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CCC[C@H]21	2249416308	PPDWNEJVWFBWED-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)cn1CC	2255511885	QOJGFHXYSHAMBB-UHFFFAOYSA-N	248.091	-0.717	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255549290	WZVPTRLXQIWWKT-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
C#CCCN(CCC)C(=O)c1coc(B(O)O)c1	2255733404	KHJJUDCPMSLMDB-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)c1	2255739160	FVBRIZIWAGILSK-CPCISQLKSA-N	249.075	-0.487	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1CC[C@@H]1C	2257491238	LFJSZPAFBYJKPX-XVKPBYJWSA-N	248.091	-0.402	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1nccnc1B(O)O	2260223179	AFOBTRSLNAYPTN-MRVPVSSYSA-N	249.079	-0.902	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298369397	SODNFFKJXPNXKR-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CO	2298376156	KTLQIVFNIINUQW-SGIHWFKDSA-N	241.096	-0.674	50	10	BBGE	
CO[C@H]1CC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298377556	VUQVSKJLIMZQAK-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@H](CO)C1	2300394239	SSKGHXROECIDBR-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1CSC1	2301340592	GIHSEHINRWLORC-UHFFFAOYSA-N	248.116	-0.210	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C[C@@H]2F)cc1B(O)O	2301421708	YDPGBBBXXGPWAJ-KWQFWETISA-N	237.039	-0.051	50	10	BBGE	
COC1(CN2CC[C@H](B(O)O)C2)CCOCC1	2303097104	LYFQDFGSPOBYQD-JTQLQIEISA-N	243.112	-0.269	50	10	BBGE	
Cc1cnc(OC[C@@H]2[C@H]3CN[C@@H]2C3)cc1B(O)O	2312613520	JXVXQZUFZDLWFD-FXPVBKGRSA-N	248.091	-0.943	50	10	BBGE	
COCCNC(=O)C(C#N)=CN[C@@H](C)C(=O)O	2324623740	IYQRAHMORFYVAG-ZETCQYMHSA-N	241.247	-0.781	50	10	BBGE	
NC(=O)CN(CC(N)=O)C(=O)CCCCCl	61808569	PSICTLHMKOHKCH-UHFFFAOYSA-N	249.698	-0.805	50	10	BBGE	
C[C@@H](CSc1nc(N)cc(N)n1)C(=O)NN	82472909	NCWONFBLUGCHNT-BYPYZUCNSA-N	242.308	-0.641	50	10	BBGE	
NCCSC[C@@H]1CC[C@H](C(=O)NN)O1	82473007	JLKOLBOHTVNXQM-NKWVEPMBSA-N	219.310	-0.784	50	10	BBGE	
COCCN(C)[C@@H](C)[C@H](C)C(=O)NN	86313628	OIACNUCRLJNEAT-YUMQZZPRSA-N	203.286	-0.421	50	10	BBGE	
O=C/C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1	100400212	YQDKULBMDMPFLH-XZVAZARWSA-N	211.173	-0.473	50	10	BBGE	
COC(=O)N1CCNC[C@H]1C(=O)CCl	156816236	CJDAETWDOAZRPB-LURJTMIESA-N	220.656	-0.166	50	10	BBGE	
CO[C@@H]1COc2ccc(B(O)O)cc2O1	195993477	FQKBBUZQEDLDNY-VIFPVBQESA-N	209.994	-0.890	50	10	BBGE	
O=C([C@@H]1CCCN1)[C@@H]1CCC[C@@H]1B(O)O	213411304	LCVPMHZPTXHLEJ-VGMNWLOBSA-N	211.070	-0.049	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C)[C@@H]1CN	226345668	LTPHVIFUDKXQCN-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
COCCS(=O)(=O)N[C@@H](CCl)COC	229023873	CBZJYRRHZQUDCT-ZETCQYMHSA-N	245.728	-0.194	50	10	BBGE	
CC(=O)N/C(=C/c1ccco1)C(=O)NN	238144564	GVHBCJISRCWLLP-VMPITWQZSA-N	209.205	-0.254	50	10	BBGE	
COc1c(B(O)O)cccc1[Si](C)(C)C	238437033	ATZHLNUNLZAHRB-UHFFFAOYSA-N	224.141	-0.080	50	10	BBGE	
OCCN(CCO)C(=S)NCCCl	244533227	ZUGZQFMDNYEJTN-UHFFFAOYSA-N	226.729	-0.614	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	302480498	YPYBOSJXSMZMII-DDLVRULKSA-N	239.319	-0.542	50	10	BBGE	
Nc1c(B(O)O)sc2cc(O)ccc12	307356416	YIRTXCJSNFDTIX-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CO[C@H](C)[C@](C)(O)C(C)=NNC(N)=O	308336944	QTOMDNBWUJLWKQ-HTRCEHHLSA-N	203.242	-0.184	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1nncn1C	310235558	ATNNEUTUJRBBRU-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)[C@H](C)Cl)C(N)=O	379250793	FFPZFLQDGMHTFL-WHFBIAKZSA-N	235.671	-0.297	50	10	BBGE	
CCOC(=O)C(=O)C(C)=NNC(N)=O	384183150	GLXAZYHERNYMIU-UHFFFAOYSA-N	201.182	-0.837	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)[C@H]1C	385613044	FOPZRBZUJVWUAC-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCSC[C@H]1CO	388212280	UYBIXMQNIQWCBK-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
CC(=O)Cc1cc(C#N)cc(B(O)O)c1	396105805	WOPDSNRUYWSGLO-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
CCOC(=O)c1c(CCC#N)cccc1B(O)O	396138266	OFVOQCIPCLJPBA-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
CSSCCNC(=O)[C@H]1C[C@@H](O)CN1	397842928	CPQPYZXWIWQJEU-RNFRBKRXSA-N	236.362	-0.163	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@H](C)CC(=O)NN	401924868	QJOZLIYTLNBRDY-YIZRAAEISA-N	215.297	-0.400	50	10	BBGE	
CN(C)C[C@H]1CCCN(CCC(=O)NN)C1	405103437	FMUNFLRGENPZKG-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
O=C/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O	687761419	AZNZYQFJBBPJNK-MRQWJHBQSA-N	214.217	-0.426	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C(=O)O1	688529891	SRKWAQKZEXUXOA-LURJTMIESA-N	215.253	-0.157	50	10	BBGE	
CCN1CC[C@@H](N(C)C[C@@H](C)C(=O)NN)C1	689045449	BBQORHFZQINKGM-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CCNS(=O)(=O)CCNC(=O)OCCl	692809897	RNNOEOARXSFBSC-UHFFFAOYSA-N	244.700	-0.152	50	10	BBGE	
O=C(NCC(=O)N1CCOCC1)OCCl	692820094	LNUNYTIARSIQKC-UHFFFAOYSA-N	236.655	-0.232	50	10	BBGE	
Cc1cccc(Cn2nc(C)c(B(O)O)c2C)n1	694272688	WIICUORQKFQCIC-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
Cn1nnc(C(=O)N[C@@]2(CCl)CCOC2)n1	697201671	SKNICGVPDHSDTA-MRVPVSSYSA-N	245.670	-0.662	50	10	BBGE	
COC[C@H](Cl)CCNC(=O)c1nnn(C)n1	697224119	UCVBRTMXBKTNTA-ZCFIWIBFSA-N	247.686	-0.416	50	10	BBGE	
NNC(=O)CCN1CC(N2CCCCC2)C1	697750923	OEYZMJWCURSXPZ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)[S@@](C)=O	703424532	MCCOFYPOYWRWOA-QXBQRDJISA-N	245.300	-0.330	50	10	BBGE	
COC[C@H](C(=O)NN)n1ccnc1C1CC1	704228090	HKRXCACEVJQTPN-MRVPVSSYSA-N	224.264	-0.062	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2C[C@@H]2C1=O	715703771	REVUXVXKRWEIBH-XPUUQOCRSA-N	235.243	-0.139	50	10	BBGE	
O=C(NN=C1CCOC1)[C@@H]1COCCO1	745212485	UHOJOXYPBZUNBG-QMMMGPOBSA-N	214.221	-0.706	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)CBr	757151169	XDLCVPAZERHSKJ-SCSAIBSYSA-N	221.054	-0.533	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCc2n[nH]cc21	758233845	CBXGKLKXBPSDOO-ZETCQYMHSA-N	222.248	-0.003	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	780916932	BVBVDTHXKUQTKJ-XLPZGREQSA-N	227.264	-0.286	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@H](O)C1CC1	830920557	XNXWNLVZUNFRCL-SNVBAGLBSA-N	249.270	-0.078	50	10	BBGE	
CO[C@H](C(=O)NN(C)C(N)=O)C1CCC1	831520222	ULDCCKZYNURLOM-ZETCQYMHSA-N	215.253	-0.157	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cn[nH]c1	862469768	STKVAPWIRKVSJP-ZCFIWIBFSA-N	221.220	-0.280	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=CC1(F)CC1	863187066	WRBZOCVSUOAKMS-UHFFFAOYSA-N	222.241	-0.365	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cnsn1	894284611	MPULUBBQOFPLBJ-VKHMYHEASA-N	248.214	-0.046	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNC(=O)C1CCCC1	1136086286	OWPKLJGAXABZMV-SSDOTTSWSA-N	241.291	-0.165	50	10	BBGE	
C#CC(=O)NNC(=O)CNc1ccc(OC)cc1	1160464361	KWQYEKYMPIECMG-UHFFFAOYSA-N	247.254	-0.112	50	10	BBGE	
O=C(c1cn2c(n1)CCC2)N1CC[C@@H](B(O)O)C1	1331825574	CLOQLVXSVZNRSN-MRVPVSSYSA-N	249.079	-0.482	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CC1COC1	1350578718	HMDHFKSRXAZZBV-UHFFFAOYSA-N	215.253	-0.238	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@]1(C)CC1(F)F	1447799364	CJSGIDIKPJLMSX-QMMMGPOBSA-N	236.218	-0.050	50	10	BBGE	
NS(=O)(=O)NC[C@H]1C[C@H]1Br	1880106556	AIDQUJAIBLYRFU-QWWZWVQMSA-N	229.099	-0.437	50	10	BBGE	
C[C@H](Br)C(=O)NCC[C@@H](O)CO	1880868348	HYMOKDAHVZJOQF-NTSWFWBYSA-N	240.097	-0.371	50	10	BBGE	
N=C(N)NC(=N)NC[C@H]1C[C@H]1Br	1881348944	LGSPNIBSJQOALY-QWWZWVQMSA-N	234.101	-0.223	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1[C@@H]2CCO[C@@H]21	1881721960	RSSOZHDYIUOWLS-XVMARJQXSA-N	225.697	-0.068	50	10	BBGE	
O=C1COCC(=O)N1C[C@@H]1C[C@H]1Cl	1883563260	JQIKBRZPQBURNX-NTSWFWBYSA-N	203.625	-0.001	50	10	BBGE	
NNC(=O)C(F)(F)CCOC1COC1	1885135048	OBLCEUHAGBVEBB-UHFFFAOYSA-N	210.180	-0.583	50	10	BBGE	
C=C(CN(CCOC)C(C)C)B(O)O	1895147543	AUKAUBNOVNVDBQ-UHFFFAOYSA-N	201.075	-0.089	50	10	BBGE	
O=C(CCC(F)F)NCC#CB(O)O	1895150198	VTHFPPROPVZZDU-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](CO)[C@@H]2C1)C(=O)NN	1895243151	MHIYIAPSTQMYAF-UTINFBMNSA-N	227.308	-0.827	50	10	BBGE	
CC(C)C[C@@H]1C[C@H]1C(=O)NCC#CB(O)O	1897283378	IRKNWCHPFPFKTF-NXEZZACHSA-N	223.081	-0.200	50	10	BBGE	
C[C@H]1CCN1c1ccc(B(O)O)cc1C#N	1901200423	UNJHUWZFVDMWBV-QMMMGPOBSA-N	216.049	-0.163	50	10	BBGE	
COCCOc1ccc(B(O)O)cc1C#N	1901205840	WCMKDTAJYWZFRY-UHFFFAOYSA-N	221.021	-0.737	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]12C[C@H](CN1)C2	1901376968	IKZJYVWYJZVSCZ-OTSSQURYSA-N	247.320	-0.949	50	10	BBGE	
CCC#CC(=O)Nc1cc(B(O)O)ccn1	1902332713	FGHFFDDEBUFGHV-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C=CC(=O)O)C1	1902511496	HWFBIXVHCLRCQW-SECBINFHSA-N	227.025	-0.907	50	10	BBGE	
O=c1sccn1CCN1CC[C@H](B(O)O)C1	1902527703	BJNXPTHEWZXVSZ-QMMMGPOBSA-N	242.109	-0.542	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@@H]2CF)n1	1902640866	JFJBNNRPZFGUEP-SSDOTTSWSA-N	244.100	-0.243	50	10	BBGE	
OB(O)c1cc(N2CC(F)(F)C2)ncc1F	1903005562	IKPOXODFMUJXDP-UHFFFAOYSA-N	231.970	-0.644	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCOC2)C1	1915582500	HSEQJLPTJCGPDC-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)c1csc(CN2CCC2=O)n1	1928991219	CBYXHIDKYUCBAZ-UHFFFAOYSA-N	226.261	-0.521	50	10	BBGE	
CC(=O)c1c[nH]c(C(=O)NNCCO)c1	1929830864	RMAYZBSEJZOEGJ-UHFFFAOYSA-N	211.221	-0.556	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)CCC(=O)NN	1929908039	LHELXFYEBZGXDR-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C2(CC2)C1)C(=O)NN	1930236125	WAOOCMCZXMANLB-HTQZYQBOSA-N	213.281	-0.931	50	10	BBGE	
CC(C)(CO)[C@@H]1CCCN1CC(=O)NN	1934672709	FQABZASZZQZJHV-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)[C@H](F)C1	1936027544	YPSYWJLKYWBUKL-RKDXNWHRSA-N	233.287	-0.449	50	10	BBGE	
CC[C@@H](C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936089080	TVCJWROIOIHAPG-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@@H](O)CCC[C@H]2C1	1938057547	ZOPTYZQCYVZUFG-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CN(CCCCCO)CC1(C(=O)NN)CC1	1938248826	LWCPPTBMVIYUEO-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941083857	TYMIVIIAJODHFH-OUAUKWLOSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]2COC[C@@H]21	1941093038	NTISREZUAVWGJQ-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC(CO)C1	1944080693	RZQNWJRVCKEYFL-UHFFFAOYSA-N	239.275	-0.384	50	10	BBGE	
C[C@H](CN(C)C[C@H]1[C@H]2COCC[C@@H]21)C(=O)NN	1945075686	TZPKOACCQHNLSI-DBIOUOCHSA-N	241.335	-0.173	50	10	BBGE	
COCC1(O)CCN(CCCC(=O)NN)CC1	1946493347	KKJBQVKMPHOTJN-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COCCN([C@H]1CCOC1)[C@H](C)CC(=O)NN	1946755074	SGNBWVKIBUTIJJ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]([C@H]2CCCOC2)C1	1947536158	LYWZIVKBVYKDBU-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
Cc1cc(CN2CC[C@H](B(O)O)C2)nn1C	1951320133	DLHCDFRTCJSOLL-VIFPVBQESA-N	223.085	-0.223	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(CF)C1	1955351267	JDOREGKVUMFCIN-RQJHMYQMSA-N	203.261	-0.098	50	10	BBGE	
CCOCC1CN([C@@H](C)C(=O)NN)C1	1956386353	VVALCOBYPMIZRN-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNCCO)C1	1957319476	VUKFRAXWZNLBSW-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]1C(F)(F)F	1958527153	LFHOJDZBWWMEKX-IMJSIDKUSA-N	225.170	-0.709	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2CSC[C@@H]2C1	1958856673	SOLCLDWIFVBBOM-WDSKDSINSA-N	229.305	-0.766	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=N)NO)C1	1960135714	UXFCANLDYMQGTJ-LURJTMIESA-N	215.257	-0.549	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@H](O)C1	1960247175	IJIMDQNKXGZHSJ-CIUDSAMLSA-N	213.281	-0.766	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CCO[C@H]1C(N)=O	1962122132	WHLKCRXBGKBCGR-LYFYHCNISA-N	234.683	-0.237	50	10	BBGE	
C[C@@H](CN1CCC[C@](F)(CO)C1)C(=O)NN	1975526808	JAEKGXXCQMQAOU-WCBMZHEXSA-N	233.287	-0.591	50	10	BBGE	
Cn1nnnc1CN1C[C@H](Cl)[C@H]2COC[C@@H]21	1975949124	XFZDIZBGOXNMGQ-CSMHCCOUSA-N	243.698	-0.352	50	10	BBGE	
C[C@@H](CN1CC[C@H]1c1ncon1)C(=O)NN	1976762109	XMZCNZNOGCJFLF-BQBZGAKWSA-N	225.252	-0.558	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCn2c(CO)nnc2C1	1981092665	CBFASQDXXQQFQA-LURJTMIESA-N	244.682	-0.260	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[S@@]1=O	1981191633	LJQWKWRQCGIFED-LGXQJMGHSA-N	245.348	-0.935	50	10	BBGE	
Cc1ncnc(N(C)CC2CC2)c1B(O)O	1981445519	KDHJHIPOLWNGDG-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CCn2nnnc2C1	1982863741	XFGLZFLZHCSTEW-RQJHMYQMSA-N	243.698	-0.021	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](OCCO)C1	1991651064	QWYYKJZYZYXQAS-MRVPVSSYSA-N	247.678	-0.082	50	10	BBGE	
O=C1C[C@@H](C(=O)O)N(C(=O)C2CC(Cl)C2)N1	1991696883	PSLNDHNATSEOLS-WRVKLSGPSA-N	246.650	-0.280	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)CCC1=O	1991704253	QTHOHGCQTZDAJO-NSCUHMNNSA-N	244.678	-0.001	50	10	BBGE	
CC1(COc2ccccc2B(O)O)COC1	1992277900	PVWPTYBXKJIHLW-UHFFFAOYSA-N	222.049	-0.218	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1[C@@H]2COC[C@H]1C2	1992319969	CKPCENRZNDRDRX-KXUCPTDWSA-N	227.308	-0.136	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]1C1CCOCC1	1992988109	KYMFZKMSBBMRSK-RKDXNWHRSA-N	227.069	-0.823	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994019717	IXMQAMSATPSMMR-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
O=C1CN([C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]([C@H]34)[C@@H]52)CC(=O)O1	1995628230	NSOMSUBTCQXIGR-DXOCEAISSA-N	219.240	-0.118	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@](F)(CO)C1	1995937483	LCFNKDNVTCGKQS-FXPVBKGRSA-N	245.298	-0.591	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)c1	2000410483	HVPGWUVAKNYSCQ-VJKWBMGZSA-N	242.034	-0.146	50	10	BBGE	
CCCOC1CN(c2ccc(B(O)O)cn2)C1	2004918834	QOXLGJPEGNFSMT-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CCOC[C@H]1Oc1ncccc1B(O)O	2004951584	NPJRJCCKRCZIKT-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCCC(F)(F)F	2008840009	FXMKFHMODABZCD-UHFFFAOYSA-N	248.997	-0.129	50	10	BBGE	
CCO[C@@]1(CN(C)CCC(=O)NN)CCOC1	2014573623	QKCSMKFDQQTPRW-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
COCCN(CC(C)(C)C(=O)NN)C1COC1	2018180913	CJAFHFMLOHYENZ-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
O=C(NCC=CB(O)O)C12CCN(CC1)CC2	2020067653	JWUPEEVGLOVZER-UHFFFAOYSA-N	238.096	-0.843	50	10	BBGE	
CC(C)(C(=O)NCC=CB(O)O)[C@H]1CCCO1	2020068220	PAIIFABRGRRLMW-SECBINFHSA-N	241.096	-0.124	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]1CF	2022200309	RNHWCTLAPAFPBT-SNVBAGLBSA-N	237.039	-0.450	50	10	BBGE	
C[C@H]1C[C@H]1N(C)CC12CC(C(=O)NN)(CO1)C2	2023851693	BHCIBAAKQVDFHQ-CAQTZKSYSA-N	239.319	-0.134	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC[C@H]2C[C@@H]21	2040236468	PIVBIEICJUEXTG-SFGNSQDASA-N	246.075	-0.254	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]3CNC[C@H]32)CC1	2054043699	FCRRXYPIPDFZOH-HBNTYKKESA-N	249.314	-0.281	50	10	BBGE	
O=Cc1c(F)cc(OC(F)F)cc1B(O)O	2060261030	KCHRRRSOBSSLTD-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@H]3COC[C@@H]32)n1	2066309758	OALBDPSCJHJONQ-KWQFWETISA-N	248.286	-0.484	50	10	BBGE	
CCOC1CN(Cc2ccc(B(O)O)s2)C1	2211080603	RUQHXDYYWPCHBO-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
CCN1CC[C@H](OC[C@H]2C[C@H]2C(=O)NN)C1	2212263150	RWVLHLKUZZEUPT-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C#CCCN(C)c1nccc(B(O)O)c1F	2212606734	YZBBLUJFNCEYOC-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H]1[C@@H]2CO	2215772921	QYSFJYWAYSROGK-ILAIQSSSSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)CCC2=O)CCC1	2216487886	OQMZVLDJZWJOLO-QMMMGPOBSA-N	241.291	-0.870	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]3C2=O)CCC1	2216539049	BIXHGFVWYOPGOT-KNVOCYPGSA-N	237.259	-0.849	50	10	BBGE	
CC(C)[C@H](CO)CNc1ncccc1B(O)O	2217174188	WZXCFCAYTWEBMQ-VIFPVBQESA-N	238.096	-0.562	50	10	BBGE	
N[C@H]1C[C@@H](CNc2nccc(B(O)O)c2F)C1	2217187465	ZBIAELPBAKKAIW-KNVOCYPGSA-N	239.059	-0.950	50	10	BBGE	
CNCCN(c1cc(B(O)O)ccn1)C(C)C	2217196440	FNHINEFDCTYDTN-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@H]3CN[C@H]2C3)cc1B(O)O	2223620240	LSTPUFZMANXELB-LSJOCFKGSA-N	248.091	-0.801	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)c1cc(B(O)O)ccn1	2223627331	MNESRDDBURVYTK-GHMZBOCLSA-N	248.091	-0.910	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2cc(B(O)O)ccn2)CCN1	2223632352	IQPDQHWXHCTIOI-NXEZZACHSA-N	249.123	-0.662	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2223636454	JTLISKCANHTCJK-JMJZKYOTSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2C[C@H]1C[C@H]2O	2223637813	HIXBVLMBSVZZGG-GISOBZBCSA-N	248.091	-0.667	50	10	BBGE	
N#Cc1ccc(Oc2ncc(B(O)O)cn2)cc1	2223652758	GIFCYFHPJBZYRZ-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
OB(O)c1ccc(N[C@]2(C3CC3)CCOC2)nc1	2223653358	QFXPXBRQWCBJGB-GFCCVEGCSA-N	248.091	-0.258	50	10	BBGE	
Cc1cc(N)ccc1Oc1ncc(B(O)O)cn1	2223654425	NASUKRYBZABWHO-UHFFFAOYSA-N	245.047	-0.161	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]1C1(O)CC1	2223665353	FTDIVMABOHZRST-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
CC1(C)C[C@@H](CNc2ncccc2B(O)O)CN1	2223669844	PECQLQLLRRWIGD-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCCCN2)c1	2223670920	FKIOUOCMKQFHKM-NSHDSACASA-N	249.123	-0.295	50	10	BBGE	
C#CC[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	2223672857	CNUBHYAZVLCBTA-JTQLQIEISA-N	245.091	-0.604	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(O)(CCO)C1	2241810989	KTBIVIDXKLFSBU-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
CC1(C)NCC[C@H]1NC(=O)C1(B(O)O)CC1	2243364008	PRWDTBRHNSLKLC-SSDOTTSWSA-N	226.085	-0.750	50	10	BBGE	
CCN(CC)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243396694	PPXSLAOSWOEFOP-DTWKUNHWSA-N	228.101	-0.693	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ncsc1B(O)O	2243398379	PZAGJUDJGINNIB-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2243753546	VHOHFFLWLFFODM-LYFYHCNISA-N	229.041	-0.924	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243759066	QIWKGRGJUFCYLM-ZCFIWIBFSA-N	227.025	-0.931	50	10	BBGE	
O=C(O)C=CC(=O)N1CCC(B(O)O)CC1	2245269600	ZDNQPROXGVVKDF-UHFFFAOYSA-N	227.025	-0.907	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ccc(B(O)O)cc1	2246784544	MJGNUGRUEJOWQZ-QMMMGPOBSA-N	234.064	-0.008	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@@H]2C[C@H]2C)n1	2247230781	LMHZPXOJJZDNGY-VXNVDRBHSA-N	236.080	-0.385	50	10	BBGE	
CC(C)c1nn(C)cc1NC(=O)C#CB(O)O	2247743163	ZQPOLCQJSSRDLW-UHFFFAOYSA-N	235.052	-0.503	50	10	BBGE	
CC#CCNC(=O)c1cc(C)ccc1B(O)O	2247760092	BJZAFEAYUISEAW-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
Nc1ncccc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785266	IKMOUHCXOTULAQ-KNVOCYPGSA-N	235.052	-0.145	50	10	BBGE	
CCCOC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786593	CUNSKMROJYCTOD-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
CN(CC1CCOCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247799268	BINZPWLLVQYZGV-ZJUUUORDSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H](F)C1)[C@H]1C[C@H](B(O)O)C1	2247801052	WKHPGSZDCQVOJP-JBDRJPRFSA-N	244.075	-0.944	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247806012	CPXPRJCGBDWXJP-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)CCNCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247809190	YEHXCBBMILYDQR-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CN1C	2247809313	OXCPGTSYUUZHDR-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
O=C(c1cc(F)c(B(O)O)cc1F)N1CCC1	2247841103	FIWCURHVZRKIHQ-UHFFFAOYSA-N	241.002	-0.510	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	2247848371	LCTQQJIFOVGGCD-DCAQKATOSA-N	233.076	-0.280	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850713	RWDWPOOLBPLDLM-HTQZYQBOSA-N	236.080	-0.435	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC(C)(C)C1	2247868869	JBMPSQNMQPWQTJ-UHFFFAOYSA-N	236.080	-0.813	50	10	BBGE	
COCCCCNC(=O)c1coc(B(O)O)c1	2247870898	RTZLYDLZWVONNN-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1occc1B(O)O	2247872670	WXZWPGTWSZBAQA-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1(B(O)O)CCC1	2247876990	AEEBMRGJSIMEHU-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@@]12COC[C@@H]1C2)C1CC(B(O)O)C1	2247891600	KTOMTUYFWKOSSY-IEZMZVKSSA-N	239.080	-0.608	50	10	BBGE	
N[C@@]12CC[C@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247895336	RGFBDRFWNLRXLD-FTYOSLGDSA-N	238.096	-0.811	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCOC1	2247895982	WNINTZRMTAIOTM-NGZCFLSTSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)C[C@H](N)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247898265	BTFBRRROGCIHMK-VGMNWLOBSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@]2(CCOC2)C1	2247900411	WNBCHTJBIBXGIY-KKZNHRDASA-N	239.080	-0.512	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCC(N)CC1	2247900491	XIGAQOGWFHRXJS-HORUIINNSA-N	240.112	-0.422	50	10	BBGE	
C#CCC(=O)N[C@H](C)c1cccc(B(O)O)c1	2248443233	XMAMUJSXQQVEGE-SECBINFHSA-N	231.060	-0.433	50	10	BBGE	
C[C@@H](CO)C(=O)Nc1ccc(B(O)O)c(F)c1	2248475097	RUQHYSSJXBGUHD-LURJTMIESA-N	241.027	-0.928	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248574116	OSTFZBNIYPUDNW-XUTVFYLZSA-N	241.052	-0.829	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1cocc1B(O)O	2249419651	JNLNQWKKTXALQZ-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2255465746	OHVSQZPYUOYYHX-SECBINFHSA-N	248.091	-0.574	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255470330	BNGRERXIQBRFSL-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H]3C[C@H]3C2)n1	2255483983	HUVUSKKWFWADRB-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255733636	ODQAYQJERMMOGP-JOYOIKCWSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@H]3C[C@@H]3C2)c(B(O)O)c1	2255734656	FFXCGKICGIRXCS-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
C=C(C)CCNC(=O)c1ccc(B(O)O)cc1O	2255955142	JHIWDBYXGZMZBF-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
Cc1nc(C(=O)Nc2ccccc2B(O)O)no1	2256604603	FAFXGMIUHZPIEQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1cc(B(O)O)co1	2258129698	YOFBOXOKQNOZEF-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2298106688	BCZNDFWYSJBSTP-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)[C@@H]1C[C@@H]1B(O)O	2298369796	FRBFTFPUEYPUQQ-LOKLDPHHSA-N	238.096	-0.750	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@@H]1[C@@H]2CO	2298371451	LPZXVJWBQNIWEY-JNORSNDXSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](COC1CC(n2cnnc2)C1)C(=O)NN	2301615335	XLYVGOLKRDJRFA-AFPNSQJFSA-N	239.279	-0.376	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@@H]3CCO[C@@H]32)ncc1F	2303834618	IZUHYNUGTDUMNA-DWFIKQFRSA-N	238.027	-0.900	50	10	BBGE	
C#C[C@@H](Oc1cc(B(O)O)c(F)cn1)C(C)C	2303860546	HEBXJWZTLQJHLA-SNVBAGLBSA-N	237.039	-0.063	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)[C@@H]3CC[C@@H]32)nc1	2312612444	XUNVMDSXXBSMLQ-OUAUKWLOSA-N	248.091	-0.889	50	10	BBGE	
OC[C@H]1C[C@@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2312614605	ZSPFJWLGDNILQB-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2312852556	WGOCCEFBOIHASH-JMJZKYOTSA-N	248.091	-0.008	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cc2C#N)CNC1	2317163625	YLPQRJYNBJBVHD-UHFFFAOYSA-N	245.091	-0.741	50	10	BBGE	
Cc1ncc(B(O)O)c(OCc2ccncc2)n1	2317843260	DNHVCYGXJNDRKG-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
NC1CCN(S(=O)(=O)CCCl)CC1	59834800	IQIPDHJZUONJBB-UHFFFAOYSA-N	226.729	-0.022	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCSCC1	82470759	QXDNPJICWGXAMX-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)CCN1C	82485308	RCGNSYMXPSTYGE-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)CCN1C	82485335	VZPAINDCFJLNEH-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
COC[C@H](O)CN(C)C(=O)CBr	82510985	SOOCZJNUMGJHSR-ZCFIWIBFSA-N	240.097	-0.153	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H](C)C(=O)O	83051340	ACIKUMIIYHFWTF-RXMQYKEDSA-N	234.277	-0.392	50	10	BBGE	
CNC(=O)CN(C)Cc1ccc(C(=O)NN)o1	110574841	DUEDOKZUEBPXRK-UHFFFAOYSA-N	240.263	-0.939	50	10	BBGE	
O=C(NCCCCl)C(=O)Nn1cnnc1	170359068	CCEXLHHGBGTRPH-UHFFFAOYSA-N	231.643	-0.907	50	10	BBGE	
CCOCCOc1ccc(F)cc1B(O)O	197939800	XTAFVLDOXAHORD-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
OB(O)c1ccc([C@@H]2CNCCO2)cc1	203576970	BWGXBFABZYYMMU-JTQLQIEISA-N	207.038	-0.973	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C1	216476419	QRDUFAYWFCMXQG-HTQZYQBOSA-N	201.270	-0.933	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](C(N)=O)C1	219251670	GCQKBKHWAHSHMK-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
O=S(=O)(CCCl)NCCCOCCO	230794913	VSDKACHPKXOLDU-UHFFFAOYSA-N	245.728	-0.456	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cc[nH]n1	234544939	LFMJQODWSFPVKF-YFKPBYRVSA-N	231.639	-0.080	50	10	BBGE	
O=C1CC(=O)[C@H](Br)C(=O)O1	238031719	LTOXESNTMWIPRV-BYPYZUCNSA-N	206.979	-0.208	50	10	BBGE	
COc1ccc([C@H](N)C(=O)NN)cc1C	259055382	VYLPXRJSWLXOCN-VIFPVBQESA-N	209.249	-0.007	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@H](C)CN(C)C	299996664	QEFAFHLRVPOWOE-NXEZZACHSA-N	230.356	-0.116	50	10	BBGE	
CCCNC(=O)CS[C@H](COC)C(=O)NN	300883168	SRHOOJKZZJCNIF-SSDOTTSWSA-N	249.336	-0.749	50	10	BBGE	
Cc1nonc1/C(N)=N/NC(=O)CCl	306335401	GRMLZWCEERDQII-UHFFFAOYSA-N	217.616	-0.647	50	10	BBGE	
Nc1cc(O)cc2c(B(O)O)csc12	307174161	PXGUPGPQJMMCCR-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)c1ccoc1	309360400	AJVQDJJTOGUBKJ-SSDOTTSWSA-N	211.221	-0.222	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCS[C@H](C)CC1	380324164	IDWUSDZVYKSIHW-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
NNC(=O)/C(=C\c1ccccc1)NC(N)=S	381027012	YHKWUCQLKMPMHA-SOFGYWHQSA-N	236.300	-0.149	50	10	BBGE	
CN(CCC(N)=O)Cc1ccc(C(=O)NN)o1	382052861	DINQRBWUKFPRNY-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
CCOC[C@H](O)CNC(=O)CBr	388476541	RDOZANNQRBKRAT-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
CC(C)(CCN1CC[C@@H](C(N)=O)C1)C(=O)NN	395702861	IXHYPPLXXOQLTA-MRVPVSSYSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(B(O)O)cc1O	396024874	SHZHLOXVGIWQDT-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1CC(=O)O	396131756	FZBJXAUJKOYXHC-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#CCc1ccc(CCC(=O)O)cc1B(O)O	396138887	QUJVGFTZIKGPFK-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1CCCOC1	402701938	PAYDPEFNDTVCPE-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CC[S@](=O)N[C@H](C)c1cccc(B(O)O)c1	405043875	QNCIZEYQOJGLIE-BCTVWOGZSA-N	241.121	-0.299	50	10	BBGE	
CCOC(=O)NCc1ccc(B(O)O)s1	405158600	ZMTXBKBBFJDNHX-UHFFFAOYSA-N	229.066	-0.326	50	10	BBGE	
CC[C@@H](C)OC(=O)C[S@@](=O)CC(=O)NN	586371399	PZVGIXCRFCPWAE-BAHMLBHCSA-N	236.293	-0.933	50	10	BBGE	
NNC(=O)N1CCO[C@@H](C(F)(F)F)C1	606283425	XNLKQUMWFAYYIX-SCSAIBSYSA-N	213.159	-0.167	50	10	BBGE	
C[C@@H]1CCCN(CCCC(=O)NN)[C@@H]1CO	688735986	HGLBVAPKTPVGAI-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CN(CCO)Cc1csc(C(=O)NN)c1	689556864	NZRVCUCAULJCIL-UHFFFAOYSA-N	229.305	-0.224	50	10	BBGE	
CN(N)C(=O)CSc1nnnn1C1CC1	704672633	JCAWWJOGAHBIJU-UHFFFAOYSA-N	228.281	-0.568	50	10	BBGE	
COC[C@@H]1CN([C@@H](C(=O)NN)C(C)C)CCO1	705868598	BTPRTWGQTFQZGS-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
CN1C[C@@]2(C)CN(CC(=O)NN)C[C@@]2(C)C1	706290167	PDTFXEIFYOFBTQ-PHIMTYICSA-N	226.324	-0.750	50	10	BBGE	
CN(C(=O)[C@@H]1COCCO1)[C@@H]1COC[C@H]1Cl	709088762	PKXFOIXQTTWIGZ-HLTSFMKQSA-N	249.694	-0.134	50	10	BBGE	
NC(=O)C1CC(NC(=O)NC(=O)CCl)C1	716707347	STJGEKXBECSYTD-UHFFFAOYSA-N	233.655	-0.685	50	10	BBGE	
C/C(=N\NC(N)=O)C1=C(N)S[N][C@@H]1C	725558672	ZTXURODRDQCIPK-PXMHVHGHSA-N	214.274	-0.144	50	10	BBGE	
C/C=C\C(=O)NNC(=O)[C@@H]1COCCO1	744651999	BYBHIYOENRVGPL-XDVGHUOJSA-N	214.221	-0.875	50	10	BBGE	
C[C@H](C(=O)NNC(=O)[C@H]1COCCO1)C1CC1	747878097	ANWMLZSETZENRM-IONNQARKSA-N	242.275	-0.405	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1cocn1	814900652	CDIYISUTLHUKMX-UHFFFAOYSA-N	226.192	-0.519	50	10	BBGE	
C[C@H](C(=O)N1CCC(O)(C#N)CC1)[C@@H](C)N	821980679	LJPKXFLUBDHVTQ-DTWKUNHWSA-N	225.292	-0.153	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCO[C@@H]2C)n1C	856047545	VZBXQTFQLKSSKD-HTRCEHHLSA-N	239.279	-0.008	50	10	BBGE	
CC[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CO1	863151071	GXMFGVQFIBAATQ-RKDXNWHRSA-N	239.275	-0.064	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C/c1ccncn1	910153584	CKOODDRPLUTRQP-NWALNABHSA-N	236.275	-0.166	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)c1ccnnc1	1142447207	LWYOVBXNZSTCOF-ZCFIWIBFSA-N	224.220	-0.728	50	10	BBGE	
CON1CCC(C(=O)NNC(=O)N(C)C)CC1	1261847659	APGZFEAMHJKOHZ-UHFFFAOYSA-N	244.295	-0.438	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1c[nH]nc1C	1293045590	KBCAWQAPIVJIEF-SNVBAGLBSA-N	240.263	-0.360	50	10	BBGE	
O=C(CCO)NN=C1CCC[S@](=O)CC1	1330649044	PGMRZFGUNLZAEG-HNNXBMFYSA-N	232.305	-0.226	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCC(=O)C2)n1C	1335409079	XTVJXGSCWVXIHP-ZETCQYMHSA-N	237.263	-0.064	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1ccc(O)nc1	1556921843	ZZNWSSSSCSJQHZ-UHFFFAOYSA-N	240.288	-0.132	50	10	BBGE	
CC(=O)NNC(=O)Cc1ccc(C#N)nc1	1628979003	ZJOQFPPPNRSXKV-UHFFFAOYSA-N	218.216	-0.337	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]1Br	1877357000	YZDKMYAQGZMWLL-PWNYCUMCSA-N	222.042	-0.531	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1O)C1CC(Cl)C1	1893490818	MUGVTYILADSEMJ-GHNGIAPOSA-N	219.668	-0.120	50	10	BBGE	
CCN[C@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901360884	YKWUPYSIHTWJMH-SSDOTTSWSA-N	249.336	-0.560	50	10	BBGE	
CC(C)=C(CN(C)CC1CN(C)C1)B(O)O	1901699068	HSAXPDYXYWQUAV-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
C#CCCCN=c1cc(B(O)O)c(F)c[nH]1	1903006921	ZSTKCKOPTMSXEK-UHFFFAOYSA-N	222.028	-0.852	50	10	BBGE	
CO[C@H](CN1CC[C@@H](B(O)O)C1)[C@H]1CCOC1	1905582456	AGHVUEWNDPSKJC-HBNTYKKESA-N	243.112	-0.413	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@@H](C(=O)NN)C(C)C	1908891600	YMNCVKPAXDNIIV-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909807219	BEJUMYCNBYSCIY-VGMNWLOBSA-N	241.291	-0.465	50	10	BBGE	
CO[C@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1OC	1910473680	QLVQANGZGZCBDH-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
NC(=S)NNC(=O)C=Cc1cccnc1	1911761690	MCWNGGXUASZLMG-UHFFFAOYSA-N	222.273	-0.041	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]12CCOC2	1915574153	WXYACXULFKGCJC-MWLCHTKSSA-N	227.308	-0.134	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCO1	1923407946	MHJDUZIOXUMFIH-GSVOUGTGSA-N	212.127	-0.515	50	10	BBGE	
Cn1ncc(Cl)c1C(=O)NNCCO	1929834354	ACWPHTDBTNFNNS-UHFFFAOYSA-N	218.644	-0.700	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)[C@H](CCO)C1	1930351044	FKOFEPKSLRJERU-SFYZADRCSA-N	221.684	-0.326	50	10	BBGE	
CN1C(C)(C)[C@](C#N)(N=C=O)CS1(=O)=O	1931280486	MWDNITZKBDNPDV-MRVPVSSYSA-N	229.261	-0.362	50	10	BBGE	
C[C@H](C(N)=O)N1C[C@@](C)(CCl)C1=O	1931734017	UFNYPMYNFOXNMD-SVGQVSJJSA-N	204.657	-0.053	50	10	BBGE	
COCCCCCn1cc(B(O)O)cn1	1934355889	XUSQNJWHWUHCGE-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
CN(Cc1sccc1B(O)O)[S@@](C)=O	1935214604	UPIBLMNTBGQQDL-CQSZACIVSA-N	233.123	-0.847	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1COCCO1	1935544796	ADYPUCVHFNDBBK-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](O)CN(C[C@H]1C[C@@H]1C(=O)NN)C1CC1	1936082669	FSOQGJFGCPLAOC-XKSSXDPKSA-N	227.308	-0.542	50	10	BBGE	
CC1(C)[C@H]2CC(CNC(=O)C(=O)NN)C[C@@H]21	1937527839	HHSJNPMGBANTAE-YUMQZZPRSA-N	225.292	-0.225	50	10	BBGE	
C[C@H](CC(N)=O)N(C)CC(C)(C)C(=O)NN	1938362607	VELRRAOPDIQGEV-SSDOTTSWSA-N	230.312	-0.802	50	10	BBGE	
COC[C@]1(OC)CCN(CCC(=O)NN)C1	1938620333	GRVBMOFYQOEFEV-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)CN1CCC2(CCC(O)CC2)C1	1939431072	MUFCUBSNIITWCE-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CN(C)C1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941086681	JRRUMFWJKAFTGP-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
CC(C)(F)CC(=O)Nc1cccc(B(O)O)n1	1947080816	IZVWDMUSCWQOOG-UHFFFAOYSA-N	240.043	-0.162	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)CCC1	1947185917	KMCMUXOWLOQQBV-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1(C(N)=O)CC1	1954430719	RBOJIAJZBDJAKH-YFKPBYRVSA-N	204.657	-0.005	50	10	BBGE	
C[C@H]1CN(C[C@@H](O)CCl)CC(=O)N1	1954821158	SYFZHZAXLNBZHV-BQBZGAKWSA-N	206.673	-0.594	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)CC(=O)NN)CO1	1955204797	RUAVOGDULLHNQV-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CCCC(=O)NCCCNC(=O)NN	1955303404	XTDRNYQSDCRWTH-UHFFFAOYSA-N	202.258	-0.534	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)NN(C)C)C1	1958425204	KAYLRIAYNUEJMD-RNFRBKRXSA-N	215.253	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H]2C[C@@H]21	1961508250	IALFJZJOHVCVKD-XSPKLOCKSA-N	213.281	-0.526	50	10	BBGE	
OB(O)c1ccc(S[C@@H]2CCOC2)nc1	1961707978	LLWIZXNUALZTGA-MRVPVSSYSA-N	225.078	-0.358	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)[C@H](C)C(=O)NN	1974928140	ZRUSADHWDDOUGB-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CN(C[C@H]1CCC(F)(F)C1)C(=O)C(=O)NN	1978338200	GDFBSERPYBCALS-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)CC12CC2	1980718693	MBYUXNNTIFHMDV-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)CCCN1CCOCC2(CC2)C1	1981013783	AIOCXMUZVDBLEP-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@H](COc1ncncc1B(O)O)C1CC1	1981424770	YGHQIWYBVYVMHI-SSDOTTSWSA-N	222.053	-0.419	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnc2)cn1	1983348151	WOOXFDJLLLPCJZ-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1984543675	VWXYUUOVTLMLPG-IUCAKERBSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1COC2CC1C2	1986052797	DHFFMYGHFMXLCG-SEZDTBSWSA-N	227.308	-0.136	50	10	BBGE	
CC(C)C1(C(=O)NCC#CB(O)O)CCC1	1992143403	QPSPOBWOTUAHAS-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN(CC)[C@@H]1CCN(CC)C1)B(O)O	1992144893	DCZNTSBCEIHQGX-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
CCC1CC(N(C)c2ncc(B(O)O)cn2)C1	2004918423	LMLZYHGUYXLRRN-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1COC[C@H](C)N1c1ccncc1B(O)O	2004928912	GSDQIHMMTGVLTP-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnc(N2CC(CCF)C2)c(F)c1	2005015050	VIRJAVXIYQSILJ-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
CC1(C)CN([C@H]2CCN(CCC(=O)NN)C2)C1	2007834485	HZXAIXWFFOJHNW-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](C3(O)CC3)C2)CC1	2013926823	NCCRYRULENKDTK-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
CN(CCCC(=O)NN)CC1COCCOC1	2014494873	KECSNSSCKVOURN-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)CC(=O)NNC(C)=O	2019208119	FJHLMNWZHCRMPA-ZJUUUORDSA-N	243.307	-0.347	50	10	BBGE	
C=C(Cn1c(=O)cnc2ccccc21)B(O)O	2021159100	NMOAXHAUYXJHHP-UHFFFAOYSA-N	230.032	-0.035	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1	2022196649	PFSUYYXNWQEBGW-SECBINFHSA-N	233.076	-0.082	50	10	BBGE	
CCCN(OC)C(=O)c1cccc(B(O)O)c1	2022197089	XJJILKQEIADFSN-UHFFFAOYSA-N	237.064	-0.220	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2022199664	HYUURIGRHXHONN-SECBINFHSA-N	233.076	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1c2c(ccc1=O)CCC2	2028052234	OXTZHCVIFIFNEF-NXEZZACHSA-N	247.298	-0.037	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CN3CCN2CC3)CC1	2038237531	AHXLTRNUFIWGLY-LBPRGKRZSA-N	246.314	-0.332	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1[C@H]2CCC[C@H]21	2048416342	HGCYUFAXKDDNGN-DOFRTFSJSA-N	246.075	-0.254	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ncc(B(O)O)cn1	2052469928	XDPCPWXUMQJSJH-ATZCPNFKSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@@]32C)n1	2052624810	UOZOEBMFAXOTBK-SKDRFNHKSA-N	247.107	-0.156	50	10	BBGE	
N#Cc1c(Cl)ccc(B(O)O)c1C=O	2060099926	FHEBKEZLBZRDQV-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCOc1c(C#N)ccc(B(O)O)c1[N+](=O)[O-]	2060209883	RLRBWJRSGASYQS-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2C[C@H](C1)O2	2077855445	MVOPVOYKDMKTHX-DTORHVGOSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@@H]2C2CCC2)nc1	2079937502	YOCKRPVXZRZMKE-MWLCHTKSSA-N	248.091	-0.029	50	10	BBGE	
Cc1cc(CN(C)C[C@H]2C[C@@H]2C(=O)NN)ncn1	2085655342	VYHREMJZGGCNEX-KOLCDFICSA-N	249.318	-0.157	50	10	BBGE	
OB(O)c1ccnc(NCCC2(O)CC2)c1	2212603779	RIDUJOSHTWSKLT-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1ccc(B(O)O)cn1	2212604674	YPFBFTJDPJLBPT-SFYZADRCSA-N	224.069	-0.667	50	10	BBGE	
C=CCCCCN=c1ncc(B(O)O)c[nH]1	2212611734	CMNAZMSZMQCNNE-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213888886	GCXSWIKOEOOEJV-GUBZILKMSA-N	247.314	-0.204	50	10	BBGE	
Cc1cc(Oc2ccc(B(O)O)cn2)n(C)n1	2217179540	MGIDDBMJJMPJSC-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
CC(C)(CCN)Nc1nccc(B(O)O)c1F	2217186106	GIDVYATWWBQRKD-UHFFFAOYSA-N	241.075	-0.560	50	10	BBGE	
CCC1(N)CC(Oc2cc(B(O)O)ccn2)C1	2217186951	QWNZQBSRGUYZED-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
CC(C)N(C)CCNc1cc(B(O)O)ccn1	2217195827	OBSRAMJMWNOYHW-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
NC1(CCCNc2ncccc2B(O)O)CC1	2217202990	OEHIQSADKHASJN-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
C[C@H]1CC[C@H]1Cn1cnc2c(B(O)O)ncnc21	2220715278	LLXWNXYAOOWHLX-YUMQZZPRSA-N	246.079	-0.448	50	10	BBGE	
Cc1cnc(-n2cnc(C3CC3)n2)cc1B(O)O	2223614555	UDDLXTURDRBKAH-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCC23CNC3)nc1	2223639326	QTZREPRFDPDBNY-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CN[C@H]3CCC[C@@H]32)nc1	2223669557	LINSTHKZOOEARF-GARJFASQSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCNC23CCC3)c1	2223676343	ZVCOJXXDHUMSFJ-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@]2(O)C[C@H]2C1	2241321326	CDOROTOIOHISIQ-BQBZGAKWSA-N	225.697	-0.031	50	10	BBGE	
CC=CC(=O)Nc1ncc(B(O)O)s1	2241555208	KQYMWRUEMQNBSL-UHFFFAOYSA-N	212.039	-0.663	50	10	BBGE	
CO[C@@H](CO)CNS(=O)(=O)CCCl	2242438468	IPUGWVQOEDVJDX-ZCFIWIBFSA-N	231.701	-0.848	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2243349759	QBIUNJFNKNYPQQ-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)[C@H]1C[C@@H]1B(O)O	2243397252	XWTSNYXPCZCCRH-PEBLOWIWSA-N	227.069	-0.921	50	10	BBGE	
C[C@H](CCN)N(C)C(=O)C1(B(O)O)CCC1	2243409774	OPONGWYUCWKQBB-MRVPVSSYSA-N	228.101	-0.421	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2243411010	MAUKFQTXWZIRKF-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2coc(B(O)O)c2)C1	2247733774	QDRJAFHNDFXFEJ-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247740912	RKIHZMMXFOFQJM-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2CC=CC[C@@H]2C1	2247742525	PWJOHSGTOZFSIT-JGPRNRPPSA-N	233.076	-0.137	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C(=O)C1(B(O)O)CC1	2247762211	GPWHTSFVFIJUHB-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cncc(B(O)O)c1	2247771255	UHCRFYCDWUTYLB-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
C=CCN(CCC)C(=O)c1cc(B(O)O)n[nH]1	2247784075	PCGUFJGPTWLLEH-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CCC1	2247784302	SGBJECWXAFAZHP-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2247790123	FQZFMUQQSJHSQF-SKMMDHMHSA-N	235.092	-0.038	50	10	BBGE	
O=C(NCc1ncccc1O)[C@@H]1C[C@H]1B(O)O	2247796853	DLONUORDWHPHKL-RNFRBKRXSA-N	236.036	-0.734	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]2C1	2247799645	GHTNPODTDLUTGJ-SOYHJAILSA-N	239.080	-0.921	50	10	BBGE	
COC[C@@H]1C=CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808637	VSHNRDINHCOPNM-GUBZILKMSA-N	239.080	-0.347	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1occc1B(O)O	2247853042	FPJJUUOYEXVGBG-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
CCON(C)C(=O)c1cc(F)ccc1B(O)O	2247853433	MFXPFXBQVFDEPA-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
COC(OC)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247854697	HJCKKDYXNBUHSF-JECWYVHBSA-N	245.084	-0.637	50	10	BBGE	
CC=CCNC(=O)c1nc(C)ccc1B(O)O	2247855208	OSELEQAVPFCWDT-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCO1	2247858061	AMFWETHUYZJWTI-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
Cc1noc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)n1	2247859204	KWNVOPJILLADSP-BQBZGAKWSA-N	239.040	-0.801	50	10	BBGE	
C[C@@H]1CN(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247859792	PKDMVVFJIHJYLQ-KXUCPTDWSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)CN1	2247893791	YLMDQHFFGNDWHT-DKEVHCRPSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247896147	XMYMQXUNLYTSQV-XFWSIPNHSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC=CCC12COC2	2247899514	NTCFZPSMWOZERA-IUCAKERBSA-N	237.064	-0.593	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247900643	YOYFZLZWBWRPMR-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
C#CCN(CCOC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905651	VJPFZQQQXNNSDF-AOOOYVTPSA-N	239.080	-0.652	50	10	BBGE	
O=C(O)CCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248573331	CLKQAQPLENEWED-YUMQZZPRSA-N	241.052	-0.828	50	10	BBGE	
CC1CC(C)(NC(=O)c2cocc2B(O)O)C1	2249416360	QJDQILBTLWTNDT-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1cocc1B(O)O	2249424059	NVZGZQZSDXELBH-RNFRBKRXSA-N	241.027	-0.468	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249573682	DHZCSQYBDZUDHE-MIZYBKAJSA-N	241.335	-0.296	50	10	BBGE	
C#CC[C@@H]1CCCN1c1cc(B(O)O)ccn1	2249997074	PDCLUJVGOHLHOR-LLVKDONJSA-N	230.076	-0.247	50	10	BBGE	
CCc1cnn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1	2250943902	WACLNHCPYSQQGW-BDAKNGLRSA-N	236.275	-0.568	50	10	BBGE	
N[C@H]1C[C@H]1c1ccc(NC(=O)C#CB(O)O)cc1	2255462517	WJCRATHDYOZFQE-QWRGUYRKSA-N	244.059	-0.545	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1ccoc1B(O)O	2255466019	RZSWSHRFNZKNDA-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccoc1B(O)O	2255469995	XGEHXMKJZGKDJO-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1ccoc1B(O)O	2255470192	ZLOGRSLHCVROLS-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(N[C@H]1CCc2nccn2C1)C1(B(O)O)CC1	2255491646	ZOOVRBNQVHTMGM-QMMMGPOBSA-N	249.079	-0.679	50	10	BBGE	
CC#CCN(C)C(=O)c1cccc(F)c1B(O)O	2255505412	WQBOTYIBPMFWHM-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C=CC1(NC(=O)c2c(F)cccc2B(O)O)CC1	2255513086	KZADAIVYFBTYSG-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
CCC1CC(NC(=O)c2ncccc2B(O)O)C1	2255521142	SLAPTTQWAJBWGF-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@]12CCCC[C@H]1C2)c1c[nH]nc1B(O)O	2255549162	FXXDIWUAQBALRE-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC2(CC2)C1	2255693585	RYJACDWQRURCKI-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2[C@@H](C)[C@H]2C)c(B(O)O)c1	2255790858	FBPSVUMPOMGBDX-DIYOJNKTSA-N	248.091	-0.546	50	10	BBGE	
C#CCCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2256604557	DOODGQBJURWLAE-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
C=CC1CCN(C(=O)c2cocc2B(O)O)CC1	2258137520	XKTMTDRTFQULFQ-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]1C1CCC1	2258151412	OTVZPYXLQJQKFU-NSHDSACASA-N	249.075	-0.026	50	10	BBGE	
COc1ncccc1C(=O)NCCC#CB(O)O	2258955516	RYMFWYNNISWOQM-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
Cc1cc(CNC(=O)NC2CC2)ccc1B(O)O	2260822999	BUXCLBVKDOEVKJ-UHFFFAOYSA-N	248.091	-0.364	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2298370351	WLXWJPWOCNZJMH-SOYHJAILSA-N	241.096	-0.079	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	2302060956	QHOMACTUMBDKGS-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@](C)(OC)C(=O)N1CC[C@@H](B(O)O)C1	2303111723	MGBHMZWLFHGOJK-PSASIEDQSA-N	245.084	-0.887	50	10	BBGE	
COC1CC(NC(=O)N2CC[C@H](B(O)O)C2)C1	2303165343	IGGVWZINHZCCFI-UEJVZZJDSA-N	242.084	-0.578	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CNC[C@H]1F	2303695546	CMMSZQUTELFMIP-BGZDPUMWSA-N	244.075	-0.992	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H]2CC[C@H]1O2	2312614398	LQOSILWZMJFBBT-WCABBAIRSA-N	248.091	-0.259	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1c1ccc(B(O)O)cn1	2314224532	JEGDJKZRYKFZFE-QWRGUYRKSA-N	248.091	-0.723	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)c2cc(N)ccc2O1	19757483	WWCQHPUTXCBVBB-ZETCQYMHSA-N	236.275	-0.154	50	10	BBGE	
CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NN)c1	22160163	FVFOPZYUQKYVLH-UHFFFAOYSA-N	246.292	-0.695	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H](C)C(N)=O	35796995	CDYOJUHXRHDVDL-IMJSIDKUSA-N	221.644	-0.687	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](O)C1	70652466	DOBGPBDEAVEVPS-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
CC[C@H]1CN(C[C@@H](C)C(=O)NN)CCO1	82467655	QEZBGZCBDZLYSL-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COCCN(CCC#N)C[C@H](C)C(=O)NN	82468799	WJNUYFWBSCCNBO-VIFPVBQESA-N	228.296	-0.526	50	10	BBGE	
CCNC(=O)[C@H](C)NS(=O)(=O)CCl	82511926	RCKKMFHXDQAXCW-YFKPBYRVSA-N	228.701	-0.373	50	10	BBGE	
C[C@H](C(N)=O)N1CC[C@H](Br)C1=O	82606989	CUINXBLSOYFRIH-UHNVWZDZSA-N	235.081	-0.144	50	10	BBGE	
CC[S@](=O)CCNC(=O)NC(=O)CCl	135310521	UDUHUPKENCRDKU-CQSZACIVSA-N	240.712	-0.180	50	10	BBGE	
COC(=O)[C@H]1CC(=O)NN(C(=O)CCCl)C1	170274785	BAJJMNVZUHHIFL-LURJTMIESA-N	248.666	-0.332	50	10	BBGE	
OB(O)c1cc(Cn2cncn2)ccc1F	203176322	VUIQEDVULSZROI-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](N(C)C)C1	223093948	WRUFRFLKGFWSNC-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCC1	232420783	ZOORTDGTLPVNCL-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
Cn1cnc(CNC(=O)NC(=O)CCCl)n1	236086868	YCVOJVJJEJEOMN-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
CN(C)c1nc(N=C=O)nc(N(C)C)n1	238320849	GNVOJDJGDHGFSA-UHFFFAOYSA-N	208.225	-0.029	50	10	BBGE	
C[C@@H]1CN2CCC[C@H]2CN1CC(=O)NN	251930542	YRUIWDIZLUKDON-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)NCCc1ccc2oc(=O)[nH]c2c1	258692003	FXBNUHLILSUVQH-UHFFFAOYSA-N	236.231	-0.164	50	10	BBGE	
CN1C[C@H](NC(=O)NC(=O)CCl)CC1=O	306171596	KHZQLSLJBNTDPF-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
C[C@@H](Br)C(=O)NCc1nnn(C)n1	306829891	IIMLZWXVWOJEOG-SCSAIBSYSA-N	248.084	-0.390	50	10	BBGE	
NNc1ccc(Br)c(B(O)O)c1	306943473	VWULRJXFCOVUPP-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
C[C@H]1CN(C(=O)NN)C[C@@H](C)S1(=O)=O	307178462	JGNZMJFZCIPGMO-OLQVQODUSA-N	221.282	-0.923	50	10	BBGE	
O=C1NOC[C@H]1Nc1nnc(CCl)o1	307442510	AINDPYLZXXIENC-GSVOUGTGSA-N	218.600	-0.350	50	10	BBGE	
CCC(=O)NNC(=O)CSCC#N	308251441	BJJXILIMFMEQFO-UHFFFAOYSA-N	201.251	-0.199	50	10	BBGE	
C=C(CCl)CN1CC[C@](O)(C(N)=O)C1	308523522	ZKYPFPNXTMOKLR-SECBINFHSA-N	218.684	-0.297	50	10	BBGE	
N#Cc1cc(-n2ccnc2)ccc1B(O)O	309366924	PJVYGLSDUVQVBU-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
O=C(CNC1CC1)NNC(=O)c1ccco1	309562606	JTVMYPLWPYZLNZ-UHFFFAOYSA-N	223.232	-0.207	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc(C(C)(C)C)n1	310357792	RIIIVQSRNNBNSL-SSDOTTSWSA-N	241.295	-0.247	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)[C@H]1CCCO1	381293670	FIXBTPYFLJNGBT-VXNVDRBHSA-N	229.280	-0.689	50	10	BBGE	
O=C(CCCl)c1ccc(CO)c(B(O)O)c1	396036534	CDTGDMTUKYMVCQ-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)ccc1O	396063863	XJFZQIQHWBNRAW-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1C(=O)O	396133600	QLDFIBMSBGTTFW-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CO[C@]1(CO)CCCN([C@@H](C)CC(=O)NN)C1	402882319	ZWJLZOBSFFVWDP-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1cc(C)cc(B(O)O)c1	404921157	UZXQMFLKXSXIMZ-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
Cn1nnnc1N1CCN2C[C@H](Cl)C[C@H]2C1	405206317	ALJBIPKDDIWUQZ-SFYZADRCSA-N	242.714	-0.288	50	10	BBGE	
Cn1c(C(=O)NNC(N)=S)cnc1Cl	606289269	MEZXDDKMWWHWEL-UHFFFAOYSA-N	233.684	-0.449	50	10	BBGE	
CC[C@H](NC)C(=O)N1CCC(O)(C#N)CC1	692009530	LOCSAXHVMKVZAX-VIFPVBQESA-N	225.292	-0.139	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCC[C@H]2O)CC1	692085312	LIGKHIFDCNGTID-WDEREUQCSA-N	240.303	-0.266	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCSCC1	692310114	ISVARQRPIYSQSQ-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
CC1(C)[C@H](O)[C@@H]2CCCN(CCC(=O)NN)[C@H]21	693088899	JHCPELUYWUPNQD-FBIMIBRVSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C1CC1)C(=O)C(=O)NN	698365831	MEVQPSMOLLOEPC-YUMQZZPRSA-N	211.265	-0.519	50	10	BBGE	
O=C(NCB(O)O)c1cc(F)ccc1O	701940127	YOYLDZDGCDIQLB-UHFFFAOYSA-N	212.973	-0.727	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CC(OC)C1	703368857	IMSHIUUOSOSDJW-UDNWOFFPSA-N	245.323	-0.652	50	10	BBGE	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(N)=S	704387124	UDUFPNREUPBEKP-SSDOTTSWSA-N	246.336	-0.598	50	10	BBGE	
CN1C[C@]2(C)CN(C(=O)NN)C[C@@]2(C)C1	706282162	DYLXYIDLBDJTHJ-NXEZZACHSA-N	212.297	-0.157	50	10	BBGE	
CN(C(=O)c1cnn[nH]1)[C@H]1COC[C@H]1Cl	709427706	APBALUXIFDWYOK-VDTYLAMSSA-N	230.655	-0.117	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccsc2C1	711863878	ZAFCULHLLXHSQU-UHFFFAOYSA-N	225.273	-0.377	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@H]1CCCN2C	720448802	YQOSVIRCPCQABF-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C]1CN=CS1	725711703	RIRNPDATFKSSGG-UHFFFAOYSA-N	249.080	-0.388	50	10	BBGE	
CC(C)[C@H](C)C(=O)NNC(=O)c1cnn[nH]1	733151853	LLOMSKAHIZXVPS-LURJTMIESA-N	225.252	-0.142	50	10	BBGE	
COC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	814188355	ZLZHBNJIKFGAGT-JGVFFNPUSA-N	245.279	-0.469	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)COC1CC1	911445343	SKJGJSYQFZMHKZ-ZETCQYMHSA-N	202.254	-0.491	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CCNC(=O)CC1	1327938046	DKNHZULPQBBNBL-SSDOTTSWSA-N	243.263	-0.320	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@H](O)[C@@H](C)O	1454262625	FEXOUVYQTJBUBU-MMYZGBSVSA-N	228.248	-0.712	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1570738388	GOZJJZCLOIDJDW-HLTSFMKQSA-N	243.307	-0.768	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNc1ccccn1	1632129271	KNQMJSFWVFMAOU-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
O[C@@H](CCl)COCCn1cncn1	1882596005	PSOFCYQSHKYGIA-ZETCQYMHSA-N	205.645	-0.106	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCC(CO)CO	1882602775	KRIVQAQIRPSVQC-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
CO[C@@H]1C[C@H](NS(=O)(=O)CCl)C[C@H]1O	1887066419	LPBKEKCNZCYXMS-FSDSQADBSA-N	243.712	-0.360	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1CCOC1	1888051359	WWJVPHHTDINNAC-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1([C@H](O)CO)CC1	1888176921	CFXVOZLNNFFJHR-NKWVEPMBSA-N	221.684	-0.137	50	10	BBGE	
O=C(CCCl)NCC[C@H](O)CCO	1893418906	GPKVURZRXVREEU-ZETCQYMHSA-N	209.673	-0.135	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@H]1C[C@@H]1Cl	1893475949	ZLXRNMXKQRGVDM-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)C1(B(O)O)CC1	1900269343	APYXKNDUAFQUEO-SSDOTTSWSA-N	228.101	-0.517	50	10	BBGE	
C[C@]1(O)CN(C[C@H](O)CCl)CC[C@H]1O	1901104858	KFHNWWYSYREUPO-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C=CCCN1	1901374367	DBFPPMUOZVWNPY-QMMMGPOBSA-N	247.320	-0.783	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1C[C@@H]1C(=O)NN	1902091146	HUAIYCRFQCRDSP-UTLUCORTSA-N	229.324	-0.439	50	10	BBGE	
Cc1cnc(CN2CC[C@@H](B(O)O)C2)nc1	1902513469	RIJQXJXAYSWFMP-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
CC(C)NC(=O)CN1CC[C@](C)(B(O)O)C1	1902518142	PNFPQMAYJONVAS-JTQLQIEISA-N	228.101	-0.550	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1902716333	QXNPKWMHNBHYKM-KKZNHRDASA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@]12CCOC2	1915572604	JLINYHKPWHHLEP-QXEWZRGKSA-N	227.308	-0.134	50	10	BBGE	
CCN(CCSC)[C@@H](COC)C(=O)NN	1917271085	JEGNLVFIWUUKNP-QMMMGPOBSA-N	235.353	-0.324	50	10	BBGE	
COCC[S@@](C)(=O)=NCCC(=O)NN	1918073432	ZYGYKGBCSJYRPZ-CQSZACIVSA-N	223.298	-0.889	50	10	BBGE	
C[C@@H]1COC[C@H]1OC[C@@H]1C[C@H]1C(=O)NN	1927915517	IEWHFPQDWDXCLJ-BZNPZCIMSA-N	214.265	-0.336	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H]1CC[C@H]2O	1927998185	IQFVKWQEFIKLGX-IWSPIJDZSA-N	213.281	-0.788	50	10	BBGE	
CC(C)(CCN1CC[C@H]1CO)C(=O)NN	1929740152	FLZGIPKUUMDULF-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2OCCO[C@@H]2C1	1930246475	CTKONOBGXNDMKZ-RNFRBKRXSA-N	241.696	-0.388	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@H](Cl)CF	1930556473	USRVSOOMSRJEFO-ZCFIWIBFSA-N	220.635	-0.029	50	10	BBGE	
NNC(=O)C1(Cn2ncccc2=O)CC1	1931266735	JOAYGWGQXQUPFY-UHFFFAOYSA-N	208.221	-0.987	50	10	BBGE	
Cc1ccn(CC(F)(F)C(=O)NN)c(=O)c1	1935941421	JOKADCGGHFDLSD-UHFFFAOYSA-N	231.202	-0.218	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936092159	SAGCIILHCFCIMR-UYXSQOIJSA-N	225.292	-0.131	50	10	BBGE	
CCCN(C[C@H]1CC[C@H](C(=O)NN)O1)OC	1937123986	HZERDMIBNVKJOQ-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
CCOC(C)(C)CO[C@H](COC)C(=O)NN	1937873231	NOZNWKRUOIWFNR-MRVPVSSYSA-N	234.296	-0.177	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)[C@H]1CO	1938231266	UCHHDLXBFLSLHO-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
CCN1CC[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082924	KOBIZCPJQDXCSZ-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CCN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941087456	BCWVRUQJBGTSIK-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1N(C)C	1941089000	SSKUFWLKWNSCKE-YTWAJWBKSA-N	240.351	-0.506	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H](C)[C@@H](O)CO	1954239846	QIBZCNIUTLZQAN-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
C[C@H](O)[C@@H](CO)N1C[C@@](C)(CCl)C1=O	1957186744	QDYHVXWLALLISH-LKEWCRSYSA-N	221.684	-0.185	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)cn2)C1	1957983072	XUROOKKWMYAVPN-RKDXNWHRSA-N	208.070	-0.001	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961509032	OHNZDYGPCHKKEX-YIZRAAEISA-N	213.281	-0.526	50	10	BBGE	
CSC1CN(c2ccncc2B(O)O)C1	1961692574	UYKIQXMXQFYFFL-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
O[C@H]1C[C@H]2C[C@@H]([C@H]1O)N(C[C@@H](O)CCl)C2	1961926424	MUOJTHNMEDRYRT-SQQIUAQRSA-N	235.711	-0.598	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@]1(CN)CO	1962292592	UETQEJFPDZNETL-RKDXNWHRSA-N	233.699	-0.861	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)C[C@H]1C(F)(F)F	1976082303	SLCOFVXNINAQQI-CLZZGJSISA-N	239.197	-0.319	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)C(=O)C(=O)NN)CC1	1976653282	FGZICJJBMJJJFS-ZKCHVHJHSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1979615129	DCFWGGLVVYGXOK-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@@H]3C2)n1	1981468899	JQGHVNAWMSEIBM-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@H]1F	1982809388	SBRYOEAYHLMIOM-NTSWFWBYSA-N	224.000	-0.942	50	10	BBGE	
CN(Cc1ccn2cnnc2c1)C(=O)NN	1987729621	CRUBQELPYPDWGV-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
CC[C@H](OCC1COCCOC1)C(=O)NN	1994134470	CZZFDKOXUFBZFX-VIFPVBQESA-N	232.280	-0.566	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C[C@H]1C[C@H]1C(=O)NN	1997867033	YYRCVXJYWBFWAK-CHWFTXMASA-N	238.335	-0.752	50	10	BBGE	
CCC[C@H]1CCOCC[C@H]1NC(=O)C(=O)NN	2001009609	VPQAZEYZSNKNPI-DTWKUNHWSA-N	243.307	-0.312	50	10	BBGE	
CCC[C@@H]1COCCN1CCOCC(=O)NN	2003904158	CQSJDSQHMORVGV-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2ncnc2C1	2003925401	KSWDRNREFJGGLY-JGVFFNPUSA-N	238.295	-0.892	50	10	BBGE	
Cn1nccc1[C@H]1CCN(CCC(=O)NN)C1	2004399056	MFDJGCKITZKTQU-VIFPVBQESA-N	237.307	-0.411	50	10	BBGE	
C[C@H](CN1CCO[C@H](C(C)(C)O)C1)C(=O)NN	2005914164	XHQLJXVSUVUBKZ-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](COCc1ccccc1B(O)O)N(C)C	2006994239	KVWACFAFCYEXJU-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012017164	RYUXIAYRYBAETG-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1c(C)ncn1C	2014921940	QUTSNNOQQALBRT-SECBINFHSA-N	239.323	-0.071	50	10	BBGE	
O=C(C[C@H]1CCCO1)N[C@@H]1CCC=C1B(O)O	2020060909	DHFWJXFZFBVIKM-PSASIEDQSA-N	239.080	-0.228	50	10	BBGE	
CC(C)n1ccc(C(=O)NCC#CB(O)O)n1	2021157960	UMMWZFGUTGYTQA-UHFFFAOYSA-N	235.052	-0.791	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(CO)C1	2021657735	XIMRPYIIPDJSHK-FOGDFJRCSA-N	241.335	-0.295	50	10	BBGE	
CN1CC(COc2ccc(B(O)O)c(F)c2)C1	2022090299	FGHQCQXRRBVHQY-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@H]1CC[C@@H](C(=O)NN)C1	2023144947	TVKWGKHZFHOSHU-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)CC(=O)NN)ncn1	2025895571	MMRAHIYKDNOQGR-VIFPVBQESA-N	237.307	-0.015	50	10	BBGE	
CCOc1ccc(B(O)O)c([N+](=O)[O-])c1C	2060033294	LQQHVNKWNMJUPX-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCc1cc(C#N)cc(B(O)O)c1OC	2060265667	PRGFZJAWHSJUMB-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1ncccc1B(O)O	2211056997	AQJBEPFSRTWDHN-OIBJUYFYSA-N	225.028	-0.112	50	10	BBGE	
NNC(=O)C1(COC2COC2)CCOCC1	2212433281	UKQPWODLIKEWMT-UHFFFAOYSA-N	230.264	-0.812	50	10	BBGE	
C[C@H](N)CCCOc1ncccc1B(O)O	2212601858	UVGNZFZOAJOEPT-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
NC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214605895	PWIPIPDOCMZFEN-GFCCVEGCSA-N	234.108	-0.711	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C1CC(CO)C1	2215775180	GGCUCDBDIWZVJZ-YIYTYNFBSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)N(C)C[C@H]1C	2216199698	PGRWINJCIJYTBT-OPRDCNLKSA-N	244.339	-0.984	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@]1(F)CCOC1	2216338275	OOTCQTPYLUZVCG-NGZCFLSTSA-N	245.298	-0.327	50	10	BBGE	
CCn1cc(Oc2ccc(B(O)O)cn2)cn1	2217179281	IVSJEYWMRLUUIT-UHFFFAOYSA-N	233.036	-0.230	50	10	BBGE	
Cc1cnc(O[C@H](C)C(C)(C)N)cc1B(O)O	2217184828	WYCOETBYSLIHDM-MRVPVSSYSA-N	238.096	-0.426	50	10	BBGE	
CO[C@@H]1CCC[C@H]1Nc1ncc(B(O)O)cn1	2217201580	RBBJWVIBPLPFBH-RKDXNWHRSA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3OCC[C@@H]32)c1	2217203873	BGFRWAFIDOGBIW-BBBLOLIVSA-N	234.064	-0.649	50	10	BBGE	
C[C@]1(C#N)CCCN(c2ccc(B(O)O)cn2)C1	2223636967	BSTTXDKBFUCAQU-GFCCVEGCSA-N	245.091	-0.109	50	10	BBGE	
Cc1cnc(N2CCN[C@@H]3CC[C@H]32)cc1B(O)O	2223647135	TYZYJOVDHDEUHO-GHMZBOCLSA-N	247.107	-0.990	50	10	BBGE	
Cc1cnc(N2C[C@H](C)N[C@@H](C)C2)cc1B(O)O	2223648677	OJAOWZPZMQJICU-UWVGGRQHSA-N	249.123	-0.744	50	10	BBGE	
C=C[C@@]1(O)CCN(c2cc(B(O)O)c(C)cn2)C1	2223651169	ATPZSYDEFQAXKS-GFCCVEGCSA-N	248.091	-0.803	50	10	BBGE	
CCN[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223669833	PBFGMWVXXBTUJL-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2C[C@@H]2CO1	2223671936	BZYFOVBRQNOIHN-BBBLOLIVSA-N	248.091	-0.402	50	10	BBGE	
Cc1cccc(Cn2cc(B(O)O)cnc2=O)c1	2224031579	MFMBZJKXFVZZJN-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=S(=O)(Nc1nc[nH]n1)N1CC(Cl)C1	2241338890	TXLVWPPMXVYVAS-UHFFFAOYSA-N	237.672	-0.616	50	10	BBGE	
CNC(=O)c1cc(Cl)ccc1B(O)O	2241480569	JOVYHWXHIVIHDB-UHFFFAOYSA-N	213.429	-0.621	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NC(=O)[C@H](C)Cl	2241860328	WQNBUQCSMSBDEW-WNJXEPBRSA-N	207.657	-0.122	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1C[C@H]1F	2242806526	HMDBTCRQMAJHJI-VXNVDRBHSA-N	225.028	-0.193	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccoc1B(O)O	2243349989	UBTXXVPNAIRVCU-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2csc(B(O)O)c2)[C@@H]1C	2243362249	OGQQEQLJUQDMIW-GJVVYLMISA-N	239.105	-0.188	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1occc1B(O)O	2243363380	FYDIVPUJBHWBMH-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
CCC[C@H](CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396262	JXAILZBZKFZXTP-CIUDSAMLSA-N	229.085	-0.626	50	10	BBGE	
O=C(NCCN1CCCC1)[C@@H]1C[C@@H]1B(O)O	2243396661	PGOKGTKTGHQYMY-BDAKNGLRSA-N	226.085	-0.939	50	10	BBGE	
CCN(C[C@@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243404406	NQUBHKCOJFGNNL-HLTSFMKQSA-N	229.085	-0.531	50	10	BBGE	
C[C@H](F)CCNC(=O)c1sccc1B(O)O	2243407290	PCFNWBWCIIGHRO-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@]1(C)C[C@H]1C)B(O)O	2243413107	ZTDCCMXCKNRVRG-APPZFPTMSA-N	247.125	-0.480	50	10	BBGE	
CN1CC[C@H](CN2CCC(B(O)O)CC2)C1	2244180204	LFCICYIQCQHLMR-JTQLQIEISA-N	226.129	-0.123	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@]1(C)C[C@H]1C	2247732095	BSJLHOJREFKABM-KBUNVGBDSA-N	237.064	-0.204	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CCC1	2247732471	GCNKMNJXANPILK-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)C1(B(O)O)CCC1	2247732526	GYODFKMGHYGGHB-JTQLQIEISA-N	243.112	-0.093	50	10	BBGE	
C=C[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247734282	GUXAGTQQQLSRBL-SECBINFHSA-N	235.048	-0.346	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247741071	UHEVGWZZCBZGJB-RXMQYKEDSA-N	246.022	-0.580	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)cc1C#N	2247748186	ZECQPNRSRMZIGF-UHFFFAOYSA-N	228.016	-0.179	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2247769463	IRBFEJKKYCIZQY-JGVFFNPUSA-N	234.064	-0.853	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cncc(B(O)O)c1	2247774888	DQJNYKXIUJTYHZ-VIFPVBQESA-N	232.048	-0.956	50	10	BBGE	
C[C@H]1CNCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786687	FDGDHRULOLANTF-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247787305	NFQQXOOUCLVSLG-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
COC1(OC)CN(C(=O)C2CC(B(O)O)C2)C1	2247801303	ZIRBCHDMKAVKOS-UHFFFAOYSA-N	243.068	-0.929	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)C1CC(B(O)O)C1	2247808927	NFKFCXYKCIYIFM-ABIFROTESA-N	245.059	-0.517	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccn(C)n1	2247810179	VLYROKZKMHGUGK-BWZBUEFSSA-N	237.068	-0.540	50	10	BBGE	
CO[C@H](CN(C)C(=O)C#CB(O)O)C1CCC1	2247847302	VJMCUNARKRVOCG-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
C[C@H]1C(NC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2247853683	PWJXEJJXYSWXPH-RNFRBKRXSA-N	234.064	-0.854	50	10	BBGE	
C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247855517	UCKOKPSEIAPVFA-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
C#CC1(CNC(=O)c2ccoc2B(O)O)CC1	2247866432	LXLOBXLYZVYLSL-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
O=C(NC1CC=CC1)c1ncccc1B(O)O	2247868362	FTWFWMJMIDZDDK-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
CN(CC12CC(CO1)C2)C(=O)[C@H]1C[C@@H]1B(O)O	2247887434	ODTVOSWIXWROGM-QMFGVRBNSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)C1CC(B(O)O)C1	2247893083	MALJOPLIJQBCBX-NFTFJBJSSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H]1CCCNCC1)[C@@H]1C[C@H]1B(O)O	2247898828	IANCUXQWCJOVOV-OPRDCNLKSA-N	240.112	-0.645	50	10	BBGE	
CC#CC(=O)N1Cc2cccc(B(O)O)c2C1	2248414328	ILJRPZUMGMLLOJ-UHFFFAOYSA-N	229.044	-0.768	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248573855	KMQMPBUNRNFCPI-FXQIFTODSA-N	243.068	-0.439	50	10	BBGE	
C[C@]1(CC(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248578566	NLHHNRKDTKOKSX-SECBINFHSA-N	241.052	-0.541	50	10	BBGE	
CON(CC1CC1)c1ccc(B(O)O)c(C)n1	2250999365	GKMARAUBUCSVFU-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2OCC[C@]2(C(=O)O)C1	2253342495	RSRHHQHMNRWMHC-XVKPBYJWSA-N	243.263	-0.652	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1coc(B(O)O)c1	2255458733	VWLNBAFOFIJXQE-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
CCn1cnc(NC(=O)c2ccc(B(O)O)o2)c1	2255464404	WDNICOKQNNREBE-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)cn2C)CC1	2255507671	CDNNBBXNBRBDAJ-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
C=C[C@H](NC(=O)c1ncccc1B(O)O)C1CC1	2255515361	WQYJUFWRLZHZPQ-JTQLQIEISA-N	246.075	-0.544	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2255516167	INUQZSCHSYRFGZ-PSASIEDQSA-N	248.091	-0.464	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1cc(B(O)O)n[nH]1	2255554006	GOEVJGNKZMZLPN-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncccn1	2255559007	JVCFVDIXEAQWAJ-HLTSFMKQSA-N	249.079	-0.093	50	10	BBGE	
CC1=CC[C@H](NC(=O)c2c[nH]nc2B(O)O)CC1	2255562977	AXEAPNZMUWTPFS-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
N[C@@H]1Cc2ccc(NC(=O)C#CB(O)O)cc2C1	2255671835	XKTGEZMOICCIDH-SNVBAGLBSA-N	244.059	-0.934	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1cocc1B(O)O	2258128916	RKPKAPWNNDZQNP-UFBFGSQYSA-N	249.075	-0.121	50	10	BBGE	
O=C(Nc1ncco1)c1cccc(B(O)O)c1F	2263392941	CFIVTEBQBYLCOL-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C12CCC2	2298370158	QBTXAHJTWSZUHR-HXFLIBJXSA-N	238.096	-0.765	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2COC[C@@H]2C1	2298375111	PXOSBQPONXQVOB-AATLWQCWSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2COC[C@H]2C1	2298375115	PXOSBQPONXQVOB-QCLAVDOMSA-N	239.080	-0.656	50	10	BBGE	
CC1(C)C[C@@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376329	SCANVGURSGVZSM-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H](O)C1)[C@@H]1C[C@H]1B(O)O	2298376940	YNRYQJMPZPINGM-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301478733	DGDIMSQIIYBMPC-GMOBBJLQSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(=O)O)[C@H](C)C(=O)N1CC[C@H](B(O)O)C1	2303114223	JSHQNOKRNKPPCY-FXQIFTODSA-N	243.068	-0.582	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnn3c2CCC3)C1	2303160978	XAOIJDQMTAJWBJ-SNVBAGLBSA-N	235.096	-0.122	50	10	BBGE	
C[C@H]1C[C@H]1CCN=c1cc(B(O)O)c(F)c[nH]1	2303836533	NTOVXWUWURTPJS-JGVFFNPUSA-N	238.071	-0.220	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC[C@@]2(C)C[C@@H]12	2310560108	DKDKRTJSKAKMCN-NHCYSSNCSA-N	247.107	-0.219	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](Nc3ncccc3B(O)O)C[C@H]12	2312612399	VIIVGCVRXGPCOE-DKIAZLNASA-N	247.107	-0.701	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@H]1CC[C@@H]2C[C@H]12	2312856438	PUZQHBXPDSZJBG-JEZHCXPESA-N	249.075	-0.170	50	10	BBGE	
Cn1c(=O)c2c(nc(CCl)n2C)n(C)c1=O	22168402	NIOHYEZSDIUTSQ-UHFFFAOYSA-N	242.666	-0.291	50	10	BBGE	
CC(C)CS(=O)(=O)N1CCOC[C@H]1N=C=O	83877845	FWMKNITVVUWFEK-VIFPVBQESA-N	248.304	-0.034	50	10	BBGE	
C[C@H](Sc1n[nH]c(N)n1)[C@@H](C)C(=O)NN	86314057	IHRQWWMVTAJEIZ-DMTCNVIQSA-N	230.297	-0.507	50	10	BBGE	
O=C(CCCl)N1CCO[C@H](CO)C1	88091710	MQYPAQKROPVYCL-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H](C)N1C	127932007	SMFRIUIREFEDRD-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CS(=O)(=O)[C@@H](Br)C(N)=O	143731692	ADOHUKZBKKLBBO-UWTATZPHSA-N	216.056	-0.763	50	10	BBGE	
CN(C)c1cc(B(O)O)cc(C(=O)O)c1	202561083	FPCWJOFJUJZEOX-UHFFFAOYSA-N	209.010	-0.869	50	10	BBGE	
CN(C)NC(=O)C1(CN)CCOCC1	214971815	HJRLAGKCTKAVDT-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC)[C@@H](C)C1	216743623	VZXUBLKHXSKEDZ-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]([C@@H](C)O)C1	226494678	GSOKMSPPQIXHGX-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(N)cc1O	231518578	KQWVZVRSCXCPBY-UHFFFAOYSA-N	226.261	-0.548	50	10	BBGE	
C[C@H]1CNC[C@H](C)O[Si]2(OCCO2)O1	238441974	RIVQJDVTUSTJHC-YUMQZZPRSA-N	219.313	-0.118	50	10	BBGE	
CN(CCCCC(=O)NN)CCOCCO	301043476	LLGLSCRAEKABIC-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
O=C1[C@@H](Cl)[C@@](O)(C(=O)O)C[C@H]1Cl	306477226	KIBWSQKTCBZDRW-TVAIXVSVSA-N	213.016	-0.010	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCSC1	306754817	PYEXFWBHEWDJOM-LURJTMIESA-N	217.294	-0.764	50	10	BBGE	
Nc1ccc(B(O)O)c2cc(O)sc12	306836161	SNCGHHSKWLZAOL-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CNC(=O)C1CN(C(=O)CBr)C1	307240767	QLRINENZXZBNOO-UHFFFAOYSA-N	235.081	-0.414	50	10	BBGE	
O=C1NCN[C@@H]2NC[C@H](Br)C[C@@H]12	307243701	TVEONCXRTVWXFI-PBXRRBTRSA-N	234.097	-0.638	50	10	BBGE	
O=C(NCCCl)NCc1nnn[nH]1	308385947	UJRSRMDHDHMOFN-UHFFFAOYSA-N	204.621	-0.762	50	10	BBGE	
CCOC(=O)/C(N)=N/NC(=O)CC(C)C	308676741	KWUXKSXEKQYQND-UHFFFAOYSA-N	215.253	-0.016	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CN)c(C)o1	308804200	AIAIFZIHQVTMBG-UHFFFAOYSA-N	211.221	-0.384	50	10	BBGE	
CC(C)[C@H](N)[C@@H](C)N1CCC[C@@H]1B(O)O	308979955	RVRINQYEDJMMIP-BBBLOLIVSA-N	214.118	-0.165	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C)(OC)CC1	310300446	UEXMTVYQYJYUIP-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
COC(=O)CN=c1[nH]c(CCl)nc(=N)[nH]1	379900690	FJINDVRWUFTYBC-UHFFFAOYSA-N	231.643	-0.970	50	10	BBGE	
NNC(=O)/C(=C\c1ccccc1O)NN	383716969	WEWLXENYCPBQMD-FNORWQNLSA-N	208.221	-0.814	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCSC[C@H]1CO	388077309	AVPVDTZFNUACBQ-RKDXNWHRSA-N	247.364	-0.589	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)[C@H]1CCCO1	390459323	FDRXZMDMZLBULJ-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
CC(C)(CCN1CCS(=O)CC1)C(=O)NN	395615855	OZXKIKRVQPIHJB-UHFFFAOYSA-N	247.364	-0.543	50	10	BBGE	
CON(C)C(=O)CNC(=O)[C@@H](C)CCl	397531979	NCXUJTZVTBCLAG-LURJTMIESA-N	222.672	-0.003	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN(CCF)CC1	402795845	VAIJQQAAELJAOR-ZJUUUORDSA-N	246.330	-0.412	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccccn1	405035184	UENXQYAHVVFRAV-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](CN(C)C)C1	405123372	JTKOXKYTUGHUES-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CC[C@H](C)OC(=O)C[S@@](=O)CC(=O)NN	586371402	PZVGIXCRFCPWAE-XHLQUELWSA-N	236.293	-0.933	50	10	BBGE	
N#CC1(O)CCN(CC[C@H](O)CO)CC1	692166578	GPOVIXSBRDWLCJ-VIFPVBQESA-N	214.265	-0.920	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@]12CCC[C@H]1C2	693142252	VETSRZBDOBTISR-UFBFGSQYSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1ccn(Cc2cccnc2)n1	694273642	YRGZVXVCSJIKCX-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
Cn1nnc(CN[C@H]2COCC[C@@H]2Cl)n1	710959178	DYUBPXXLXKWZNK-BQBZGAKWSA-N	231.687	-0.304	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COCC[C@@H]1Cl	711015505	OYTQMTADKICRAQ-NKWVEPMBSA-N	242.728	-0.221	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718167137	PCWFMRUWPUCANN-NZHYYXIDSA-N	239.319	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN2CCC1CC2	722806984	VONCTRXHYUCZOV-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
CC1=CS[C](CNC(=O)C(=O)NN)C1	725586185	ACZKLUYPGLJELX-UHFFFAOYSA-N	214.270	-0.335	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1C[C@H]1OC	823376279	BMVFHLHQXPYBJX-HTQZYQBOSA-N	202.254	-0.633	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)[C@H]1CCC(=O)N1	869384766	FXTQGCYISZYPAT-FXHNIGACSA-N	243.238	-0.324	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H](C)CO1	910181662	DFNRKYFUDYDHFV-CIUDSAMLSA-N	216.281	-0.245	50	10	BBGE	
CON1CCC(C(=O)NN(C)C[C@@H](C)O)CC1	1119645202	QTTAXSBWKNTOIJ-SECBINFHSA-N	245.323	-0.396	50	10	BBGE	
C=C(CO)C(=O)NNc1ccc(C#N)cn1	1177407452	KMNLSAFUQUIQBG-UHFFFAOYSA-N	218.216	-0.055	50	10	BBGE	
O=C(CCO)NN=C1CCCc2c[nH]nc21	1340618239	RHCRAPJAJZMENZ-UHFFFAOYSA-N	222.248	-0.051	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)c1cncnc1	1534090286	WUNQQIJXCYQHKI-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NNc1cccnn1	1566756909	KMAAGNZWHUSMGF-UHFFFAOYSA-N	234.219	-0.029	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cnccn1	1583537338	ZPCKZRAHWYGQNB-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
O=C(CN1CCCCC1=O)NNc1ccncn1	1641044807	IAUNYNJOQFDHHR-UHFFFAOYSA-N	249.274	-0.068	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@@H]2CC23CC3)nn1	1654423334	NLENJMQOAWNLFZ-LURJTMIESA-N	247.258	-0.181	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@@H]1C[C@H](O)CN1	1877393426	GTDXZGKDQKHULZ-CWKFCGSDSA-N	218.684	-0.547	50	10	BBGE	
COCCS(=O)(=O)NOCCCl	1881149407	BSUVKJXMUGLKHP-UHFFFAOYSA-N	217.674	-0.277	50	10	BBGE	
CC(CO)(CO)NC(=O)[C@H]1C[C@@H]1Cl	1883633715	BDNOJCAKJZOXFG-WDSKDSINSA-N	207.657	-0.527	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](CO)[C@H](N)C1	1885200789	NISQZFGIQVRNFM-HRDYMLBCSA-N	217.700	-0.241	50	10	BBGE	
CS(=O)(=O)C[C@H](N)C(=O)CBr	1886387007	GDBBZUMFGVOTRP-BYPYZUCNSA-N	244.110	-0.678	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(O)C1	1889208903	GUZIQDBERFQCPI-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CCOC[C@H]1CO	1890043769	DGWWKFTYZNLAET-RQJHMYQMSA-N	243.712	-0.501	50	10	BBGE	
O=S(=O)(CCCl)NCCC#CCO	1892493176	LJBUIXDIVIYDBZ-UHFFFAOYSA-N	225.697	-0.470	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]2CC1=O	1893851882	IHBZPGYZXRZAPR-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CO[C@H]2COC[C@@H]12	1894437193	PWBIPAQAHCKKJO-XVMARJQXSA-N	248.666	-0.535	50	10	BBGE	
C=C(COC[C@@H]1CCCOC1)B(O)O	1895098021	XLAXKHHRGDYQKT-SECBINFHSA-N	200.043	-0.002	50	10	BBGE	
C=C(CN(C)S(=O)(=O)C(C)C)B(O)O	1895192192	ZAQXBABZXZPMRP-UHFFFAOYSA-N	221.087	-0.775	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@H]1CCCN2C)B(O)O	1897283297	HRIRTJXCQIJXEI-GHMZBOCLSA-N	224.113	-0.277	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2[C@@H]3COC[C@@H]32)C1	1902516214	RBTPXQPFTLAOTB-CHWFTXMASA-N	225.097	-0.182	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ncsc1B(O)O	1905063062	KHTSOHWPZVMWML-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
COc1ncc([N+](=O)[O-])cc1[C@@H](N)[C@@H](O)C#N	1906069563	NXUARNCGUBNOJY-JGVFFNPUSA-N	238.203	-0.117	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2C[C@]2(O)C1	1907914141	ZGBISGCRGTUPPH-APPZFPTMSA-N	249.261	-0.542	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1ccc(F)cc1B(O)O	1908957839	OTPPVHQHIAPSBP-WRWORJQWSA-N	240.039	-0.081	50	10	BBGE	
CC[S@](C)(=O)=NC[C@H]1CC[C@@H](C(=O)NN)O1	1913887784	HKCYWGKEOGOOLW-BJLCURGVSA-N	249.336	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]12CCOC2	1915571222	MSCKVKJPSAHLAE-IQJOONFLSA-N	225.292	-0.523	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)C(=O)NC	1916199755	BQFOOEOLEMMAIH-JGVFFNPUSA-N	230.312	-0.789	50	10	BBGE	
NNC(=O)Cn1ccnc1C(F)(F)F	1921504503	LCSZJTNQQIEHGM-UHFFFAOYSA-N	208.143	-0.108	50	10	BBGE	
COC[C@@H](OC)C(=O)NNC(=O)C(F)(F)F	1923408550	LTAUQXOPSFPLTB-SCSAIBSYSA-N	244.169	-0.643	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)C(F)(F)F	1923414257	ZIDMIRCHWYWMEH-GSVOUGTGSA-N	214.143	-0.269	50	10	BBGE	
CN(C)NC(=O)CC[C@@]1(N)CCOC1	1932474308	PQXVAVBJNBUQLP-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1COC[C@H]1Cl	1933386959	MQVGZMRQAIRSIE-RNFRBKRXSA-N	231.687	-0.447	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)C1CN(C)C1	1937467284	FSQAMPNZZYPZDC-WCBMZHEXSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H]2CO)CC1	1938247886	YHQQJLQBFLNYCS-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CC(C)C[C@@H]1CC(=O)N(CCC(=O)NN)C1=O	1940840915	KMZWKQMKKQOEFU-MRVPVSSYSA-N	241.291	-0.212	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	1941085714	FJUXGMLLULRLKA-CHWFTXMASA-N	238.335	-0.609	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942116714	XYEWNYJIQOHHGN-UMNHJUIQSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1947069913	LEYNOAZWGJMOPS-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](CN1CC2(CC[C@H]1CO)CC2)C(=O)NN	1948553160	ARETWXYSVMKUKP-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277075	LKBVVWGRYJVIIE-LADJIXMOSA-N	241.335	-0.011	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CC[C@H]1O	1953522394	SEZOPRDHPDSNJV-PHDIDXHHSA-N	213.686	-0.332	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C(=O)NN)CCS1	1958516247	ZWTOXFXBJSJEPB-NKWVEPMBSA-N	231.321	-0.376	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1CNC(=O)C(=O)NN	1960024287	PCFWYYPBOKUMPY-UHNVWZDZSA-N	221.207	-0.616	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC12COC2	1961513430	UMCUREACPYCESL-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](CCOC(F)(F)C(=O)NN)N(C)C	1974842258	LYIZSCOZTYKFDE-ZCFIWIBFSA-N	225.239	-0.074	50	10	BBGE	
CCN(CCCCO)CC(F)(F)C(=O)NN	1976241126	RMKIIRBNURBOOG-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	1979849402	ODNBLXOGQUBLRX-OPRDCNLKSA-N	231.340	-0.050	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)c2cccnc2O1	1981042782	DXIHMGPSNYFTNV-ZETCQYMHSA-N	222.248	-0.341	50	10	BBGE	
CN1CC[C@H]2[C@H](CCCN2CC(=O)NN)C1	1981046746	VPIJEBLBDJNVOC-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@H]1F	1981414087	NTIWKAFYLSGBNB-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)cn2)OC1	1981584039	VBPJWSJIZKRWKM-WPRPVWTQSA-N	224.069	-0.622	50	10	BBGE	
CC[C@@H](OCCN1CCOCC1)C(=O)NN	1982847376	XLRUSJOYLMSENM-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)CCC1=O	1984128578	QUQFXCRNJXADSS-UHFFFAOYSA-N	235.190	-0.849	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@H](C(F)(F)F)C1	1986847982	MBGZESPVKYWJDN-WDSKDSINSA-N	241.213	-0.372	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(B(O)O)cc1	1990070471	WVAOUIHVNRGNIS-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]12	1993441144	UVKBKTJKKZWTKA-ZELZYMQXSA-N	242.662	-0.502	50	10	BBGE	
NNC(=O)c1occc1CN1CC2(CCO2)C1	2004491428	ULOWKWKTEIEXTC-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)nc1	2004911076	CBKPOVHJQWLEDR-CUJWVEQBSA-N	231.064	-0.999	50	10	BBGE	
OB(O)c1ccc(N2CC[C@]23CCOC3)nc1	2004916701	OSQZEZCQDMKCTP-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
Cc1cc(O[C@H]2CO[C@@H](C)C2)ncc1B(O)O	2004935574	OTJQXVVKXYBXFV-DTWKUNHWSA-N	237.064	-0.374	50	10	BBGE	
CO[C@H]1CCCN(c2ncccc2B(O)O)C1	2004935950	SFHRACIRSSQZHL-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N(C)CC(C)(C)C)c1B(O)O	2004972730	JPSLGAVDQYRYNG-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@@H]2CCOC2)n1	2005014482	METFVJWGNYSFCS-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CC3)C2)c(F)c1	2005015016	VAFNDNHFQUIEEP-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CN(CC1(F)CCC1)c1ncc(B(O)O)cn1	2008510127	NQBMGRSJOYWHAQ-UHFFFAOYSA-N	239.059	-0.515	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2nncc2C1	2013642611	JMKDEZFMBXGDKX-VIFPVBQESA-N	238.295	-0.748	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H]1C1(O)CC1	2013924750	FWWDPEPVUTWRFW-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
COC[C@@H]1CCN(CC(C)(C)C(=O)NN)C1=O	2018142207	YDWNOMQOABVYQP-QMMMGPOBSA-N	243.307	-0.503	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023851698	BHCIBAAKQVDFHQ-RBLKWDMZSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@H]3CF)(C1)C2	2023852749	IDOVSGHCWIVGRR-LSJOCFKGSA-N	243.282	-0.431	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(CC(=O)NNC(C)=O)C1	2025494434	ZICSEBRKMJRBPZ-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
COc1cnn(Cc2cncc(C(=O)NN)c2)c1	2027475527	TVCLIGQRPQEIKK-UHFFFAOYSA-N	247.258	-0.062	50	10	BBGE	
O=C(N1CCC1)N1CCc2c(B(O)O)cccc21	2043145566	IDDGWAJDIMEESY-UHFFFAOYSA-N	246.075	-0.445	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@H]32)nc1	2051854126	PPUMAEFTCCOHNE-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCCC12CC2	2052474167	YHVXVENNHZNMIH-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C)[C@@H](C)C2)n1	2052624138	DFUDQTJWRBSPPS-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccc(O)nc1	2076078095	FBFSFLINTQSOSG-VIFPVBQESA-N	248.047	-0.382	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@@]1(C)CO	2211783795	WUBJDPSKTMCOPS-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H](CO)C1	2211838577	IUCYWVHKYFEFQF-BBBLOLIVSA-N	227.308	-0.683	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCC[C@H]2C3)nc1	2212601603	QDUQLXKWTTWTGS-OIBJUYFYSA-N	219.053	-0.489	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)c(C)cn1	2212604529	PXTVOAQXUIQPRG-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
Cc1cnc(N2CC=C(F)C2)cc1B(O)O	2212606297	RQFDUFKTVIPELX-UHFFFAOYSA-N	222.028	-0.257	50	10	BBGE	
C#CCCCCNc1ncccc1B(O)O	2212610118	CNEGHEQRPPXKQF-UHFFFAOYSA-N	218.065	-0.023	50	10	BBGE	
C[C@H]1CC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2212613323	UKZXRBSSBNBBFT-YUMQZZPRSA-N	221.069	-0.964	50	10	BBGE	
C[C@H]1CC[C@@H]1CN(C)c1ncc(B(O)O)cn1	2215007248	YDKNVGNUEZSRCL-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1CO	2215776080	KTQDOEKNYZWVNM-LMLFDSFASA-N	241.335	-0.437	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@]2(F)C1	2216597338	IBOQYPQRDWHRFD-KCJUWKMLSA-N	236.055	-0.300	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC[C@H]2CCOC2)O1	2217092031	ZKBJCHPAMBYCKP-IVZWLZJFSA-N	244.291	-0.423	50	10	BBGE	
OB(O)c1ccnc(NCc2ccncn2)c1	2217173272	PUKJOFQCBCRXBW-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
NC1(CCNc2ncccc2B(O)O)CCC1	2217199078	AKAUAHAWXBAGQZ-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
N[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)C12CCC2	2223638207	VHJSJPBGRXTRKF-ZJUUUORDSA-N	247.107	-0.557	50	10	BBGE	
CN1CCC(C)(Nc2cc(B(O)O)ccn2)CC1	2223641013	ORPGXFVHSIWDGQ-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](N)C1CCN(c2cc(B(O)O)ccn2)CC1	2223641424	AYLUXBFRPOCNCE-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)N(C)C1CC1	2223642171	GJOIPHFKPRHEBM-VIFPVBQESA-N	249.123	-0.922	50	10	BBGE	
Cc1[nH]nc(CNc2ncc(B(O)O)cn2)c1C	2223643462	WBCPOYGCKVHJSA-UHFFFAOYSA-N	247.067	-0.892	50	10	BBGE	
CNCC1CCN(c2ccc(B(O)O)cn2)CC1	2223670605	AKSOZEHNZWPYBR-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1CCCSC1	2243350307	ZBBAFDOASDNMGI-DTWKUNHWSA-N	241.121	-0.350	50	10	BBGE	
O=C(N1C[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2243365792	SFHSBSFJCYWGPP-JGVFFNPUSA-N	225.053	-0.759	50	10	BBGE	
O=C(NCCOC(F)F)[C@H]1C[C@@H](B(O)O)C1	2243382936	SINYWMUCMMHNLW-OLQVQODUSA-N	237.011	-0.405	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243396731	PZPAUZGZXZMAEF-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
C[C@H](CCCO)NC(=O)C1CC(B(O)O)C1	2243396834	RIGBZTORSBYNTH-AFPNSQJFSA-N	229.085	-0.483	50	10	BBGE	
C[C@@H](CN(C)C(=O)C#CB(O)O)C(F)(F)F	2243398224	BZSCKALEFPHBHM-LURJTMIESA-N	236.986	-0.341	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)o1	2243399783	QKOIHXTVCRVWDY-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243403838	DNXAVXZWSQRMBY-NRPADANISA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2243426452	IIVLXDAWILBICV-PRJMDXOYSA-N	229.085	-0.485	50	10	BBGE	
CCC[C@H](O)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427431	VHPFAZPKMUXBNB-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
COCC(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243427667	YWJBRAGCOHXJBX-JGVFFNPUSA-N	229.085	-0.362	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H](C)C(=O)O	2243753307	SKCSLBWGCODYTP-WDSKDSINSA-N	229.041	-0.781	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H](C)C(F)F)n1	2244240157	SDOCHRNCCMZAAH-SCSAIBSYSA-N	231.995	-0.503	50	10	BBGE	
C=C[C@H](C)CCN=c1ccc(B(O)O)c[nH]1	2245058893	WPWXAOQMIQCZAC-VIFPVBQESA-N	220.081	-0.193	50	10	BBGE	
O=C(Cc1sccc1C(=O)O)NCB(O)O	2245269357	XNOPEPCYWBTHDE-UHFFFAOYSA-N	243.049	-0.883	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H](C)CF)c1	2247752383	OJPGTAIVQGTYPR-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247754812	HSENASQXHGKAPZ-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247772482	VOHBRBGDHWHFQM-MTBHXBHISA-N	234.064	-0.854	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247781611	MPXAKOSGQILSNA-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
CCC[C@@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787608	RDTQOOKAORXDDZ-NGZCFLSTSA-N	243.112	-0.093	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)C1CC(B(O)O)C1	2247798727	WROXQYBDFFCJTA-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
CC[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCO1	2247809999	SYZMBODQHAGPNH-ATZCPNFKSA-N	241.096	-0.075	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC=C(CO)CC1	2247810030	TYSJOZLYLHTHQR-UHFFFAOYSA-N	239.080	-0.610	50	10	BBGE	
C#CCN(C(=O)c1coc(B(O)O)c1)C1CC1	2247852846	AQXVHPKDKARRFW-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
CCN(CCF)C(=O)c1ccc(B(O)O)cn1	2247866599	OSXMOCFITJAYJP-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCOC1	2247873568	DQHHCGNUQAKHRU-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1C	2247875410	XXVJSRDYWUNRGU-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
O=C(N1CC2(CCNC2)C1)C1(B(O)O)CCC1	2247880235	YIDGYTFPPYIWRL-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCNCC2(CC2)C1	2247898846	ICLZRDHGNBQIFP-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
C#C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902477	FXAYTHORZWWZAG-KXUCPTDWSA-N	237.064	-0.900	50	10	BBGE	
CC(C)ONC(=O)Nc1ccc(B(O)O)cc1	2247974607	LQXLSPCEYJTGIL-UHFFFAOYSA-N	238.052	-0.172	50	10	BBGE	
O=C(CC1CC1)Nc1ncc(B(O)O)cc1F	2248253780	ZWHZSMGADPHGEJ-UHFFFAOYSA-N	238.027	-0.361	50	10	BBGE	
CC(C)(/C=C/C(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248587008	KITLFBGQIUFHKN-FWDZIHJBSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248587234	NKWDCBYQYHMVJD-DSYKOEDSSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@]3(O)C[C@H]3C2)c1	2254102046	DWPUGHMLUKZNNY-AAEUAGOBSA-N	247.103	-0.677	50	10	BBGE	
Cc1ccc(C(=O)N=c2cc[nH][nH]2)c(B(O)O)c1	2255508751	CPGPFVTYGDWRHF-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
COc1ccc([C@@H](C)NC(=O)C#CB(O)O)cc1	2255663416	AMWCWJHPSPGSRH-SECBINFHSA-N	247.059	-0.112	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3CC[C@@H]32)oc1B(O)O	2255682039	AULPCRXCORCKGG-BDAKNGLRSA-N	249.075	-0.108	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@H]2C1	2255686444	RHYBJEXOOGPSMV-IUCAKERBSA-N	248.091	-0.813	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cccc(C)c1B(O)O	2255731071	ZOOHJVXNOBHMDR-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)cc(B(O)O)c1F	2255786375	RQCCTRJTVDZGOK-QMMMGPOBSA-N	249.050	-0.435	50	10	BBGE	
CN(C)c1ccc(C(=O)NCC=CB(O)O)cn1	2256636012	IPSPTZUJALHTRU-UHFFFAOYSA-N	249.079	-0.554	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]3C2(C)C)ncc1B(O)O	2257069714	CBDVTNMENARQNE-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
N=c1ccc(NC(=O)c2cc(B(O)O)co2)c[nH]1	2258135076	PPZGFTVGVFEKCB-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368363	ADOOKQVCVRSIQJ-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298375123	YZTWGINLMURMKF-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CCN[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298375988	ADRIWVBKZMGSAV-IMSYWVGJSA-N	238.096	-0.894	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2298377075	CTQXPHCIINTQHT-HDBWYCHPSA-N	238.096	-0.909	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]1C(=O)O)[C@H]1C[C@@H]1B(O)O	2298463644	PVKAOUPFISJKPK-XAMCCFCMSA-N	241.052	-0.924	50	10	BBGE	
COC[C@]1(C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298468119	SQUOAARIZDIAJF-DKIAZLNASA-N	241.096	-0.362	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@H]2C[C@H]3O)CC1	2300194815	SUWDSPLTUGLHCI-KXUCPTDWSA-N	239.319	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2OC	2302212274	XIDOSACFIQKWIG-XKNYDFJKSA-N	243.307	-0.900	50	10	BBGE	
C[C@H](CN)CCOc1cc(B(O)O)c(F)cn1	2303855957	RHFNADVUGUDJBE-ZETCQYMHSA-N	242.059	-0.736	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)CCCl	37226248	IKKJLDQGPCZFFJ-RXMQYKEDSA-N	209.629	-0.735	50	10	BBGE	
CNC(=O)CN1CCN(C(=O)[C@H](C)Cl)CC1	37828837	ZSWOBACKURPXCU-QMMMGPOBSA-N	247.726	-0.496	50	10	BBGE	
CC(C)CCNC(=O)CCC(=O)NN	58839408	IURLJXICIHSEOX-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
CNCCN(C)[C@H](C)CCC(=O)NN	69801851	ZLIPMVCSBUPTNP-MRVPVSSYSA-N	202.302	-0.704	50	10	BBGE	
CCN(CCCCC(=O)NN)CC(=O)NC	82469547	WHJREPKWGSIAJI-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
O=C=N[C@H]1COCCN1S(=O)(=O)C1CC1	83877846	OJWGCPCIJVRSSL-MRVPVSSYSA-N	232.261	-0.527	50	10	BBGE	
CC(C)(Cn1cnc(C#N)n1)C(=O)NN	86598205	NNSFHYDMNDTJQC-UHFFFAOYSA-N	208.225	-0.834	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@@H]1C(N)=O	110589925	OWLDQAQANHPCOY-SECBINFHSA-N	242.323	-0.514	50	10	BBGE	
CN(C)NC(=O)CCOC1CCNCC1	147283575	NKJGIAWIWLEDAV-UHFFFAOYSA-N	215.297	-0.262	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)CNC1CC1	181385028	OHPROMMDAOJBEZ-UHFFFAOYSA-N	236.275	-0.462	50	10	BBGE	
OB(O)c1cncc(OCCN2CCCC2)c1	203524104	CBLMEJHXSCRXRI-UHFFFAOYSA-N	236.080	-0.764	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	227698030	QWEDXBUCUMRMRF-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCC#N)C1CC1	232419740	JUJGNCCALASOTL-SECBINFHSA-N	226.280	-0.631	50	10	BBGE	
COC[C@@H](SC[C@@H](C)N)C(=O)NN	232421684	JJGSTCXOGKFTIA-PHDIDXHHSA-N	207.299	-0.928	50	10	BBGE	
COCCOCCCOCC(=O)NN	234730216	MGWPXNKVBJRVIZ-UHFFFAOYSA-N	206.242	-0.954	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C[C@@H](N)C(=O)O	238182671	AEUDJAZDKRBUMG-RXMQYKEDSA-N	247.251	-0.656	50	10	BBGE	
O=C1NC(=O)[C@@]2(CC[C@@H](CCB(O)O)C2)N1	256001998	SPQZGESMALLEIK-RCOVLWMOSA-N	226.041	-0.772	50	10	BBGE	
CN1CC[C@@H](CNC(=O)CNC(=O)CCl)C1	258813230	VAVNBAVLVHPSIC-QMMMGPOBSA-N	247.726	-0.591	50	10	BBGE	
O=C1NC[C@@H]2[C@H]1CCCN2C[C@H](O)CCl	299994214	DTFSPDQLZLBXHJ-IWSPIJDZSA-N	232.711	-0.204	50	10	BBGE	
CNC(=O)NNS(=O)(=O)C(C)(C)C	306468643	MUUSURCTXJFCSF-UHFFFAOYSA-N	209.271	-0.452	50	10	BBGE	
OB(O)c1csc2ccc(O)c(O)c12	306718133	IHHNTIOOOJWLFK-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O=C(CBr)N[C@]1(CO)CCOC1	306851301	QJSSPIAZBNSDNU-ZETCQYMHSA-N	238.081	-0.351	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H](C)C#N	307740466	HOSDKILCOTZOBK-RXMQYKEDSA-N	200.267	-0.339	50	10	BBGE	
COC(=O)[C@@H](Cl)C(C)=NNC(N)=O	308045164	FUGBTKSPTGGLLQ-BYPYZUCNSA-N	207.617	-0.189	50	10	BBGE	
CCCS(=O)(=O)CC(=O)NN(C)C	308476493	MBMONQJYGCELNP-UHFFFAOYSA-N	208.283	-0.596	50	10	BBGE	
COC[C@H](C)CN(C)[C@H](C)C(=O)NN	308493988	CNQYDQXTPJKUPM-HTQZYQBOSA-N	203.286	-0.421	50	10	BBGE	
CC[C@H](C)N(CCO)[C@H](CC)C(=O)NN	308821390	QRBHMKAUVYKDEC-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CC(C)(C)OCOc1cncc(B(O)O)c1	309177935	AZJRUFWNSCTMKY-UHFFFAOYSA-N	225.053	-0.087	50	10	BBGE	
COC[C@@H](NCC(=O)NNC(C)=O)C1CC1	309447785	KIJMJUVGFKCJEP-SECBINFHSA-N	229.280	-0.832	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)C1CNC1	310037497	VDZORBDSZNFMAX-UHFFFAOYSA-N	213.281	-0.211	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](C)[C@](C)(CN)C1	310338961	CJNSNEPDILVOAR-QFOLPQNPSA-N	242.367	-0.082	50	10	BBGE	
OB(O)c1ccccc1CN1CCN2CC[C@H]1C2	381666256	GDMCKRQAHNKGIF-LBPRGKRZSA-N	246.119	-0.744	50	10	BBGE	
CCOC1CN(Cc2nc(C(=O)NN)co2)C1	383072890	XVDRUGPGZVFVEC-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1nccs1	387498735	ABAWFZGWTOPSNQ-SSDOTTSWSA-N	244.320	-0.420	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)CC(C)(C)C1	395801477	ZVTKUGDFYADTPC-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)CCc1c(F)cccc1B(O)O	396024372	LCXRKBHBVDQDSM-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)cc1	396091641	DBSLMQGQPCFEAT-UHFFFAOYSA-N	212.441	-0.283	50	10	BBGE	
O=C(O)c1cccc2c(O)c(B(O)O)sc12	396376143	DVONVSCXGUNLRD-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(O)c1ccc2c(O)csc2c1B(O)O	396383502	NYAMAZVBWTVYIW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1ccncn1	396942646	UZGYVEFTCQLNEY-ZCFIWIBFSA-N	243.650	-0.013	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1[C@@H]2COC[C@@H]12	405026558	LMWIHJQYTNCTII-NXEZZACHSA-N	247.059	-0.803	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)s1	405053970	KDXFUTJESMRJDI-WDSKDSINSA-N	240.093	-0.193	50	10	BBGE	
Cc1ccc(NS(C)(=O)=O)cc1B(O)O	405062177	DUTPVEWRWQXVAG-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(CCCC(=O)NN)C1	688959587	MMDLFVHVHGOOOU-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
Cc1ccc(CCNC(=O)C(=O)NN)nc1	689420664	DDDNHGWZXHBGNQ-UHFFFAOYSA-N	222.248	-0.961	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	690064232	ADCYYMRXZDVVBO-QWRGUYRKSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)CC1CC1	690925491	DXSLVCDXNYTMRK-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
O=C(NNC1=CNCCN1)C(F)(F)F	691314131	PCXRVFRXIQTPCF-UHFFFAOYSA-N	210.159	-0.839	50	10	BBGE	
N#CC1(O)CCN(CC(=O)[C@@H]2CCOC2)CC1	692174055	LSMXWGJIFBTTIS-SNVBAGLBSA-N	238.287	-0.058	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)n1cc(C(N)=O)cn1	695063758	VVHKGUFVOPBPJE-QMMMGPOBSA-N	239.279	-0.441	50	10	BBGE	
CN1C[C@@]2(C)CN(C(=O)NN)C[C@@]2(C)C1	706282156	DYLXYIDLBDJTHJ-AOOOYVTPSA-N	212.297	-0.157	50	10	BBGE	
CN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(CC(=O)NN)C3	707930759	JYQVLWRVTHWKGC-NAKRPEOUSA-N	238.335	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	708545379	NWDHEFWKUQPLKT-DTWKUNHWSA-N	215.297	-0.542	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@H](O)C[C@H]1C2)C(=O)NN	710476037	JOVPENCQTPNQGL-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
CC(C)C(=O)NNC(=O)Cn1ccnc1	746096209	QQBACGQTVQOLNV-UHFFFAOYSA-N	210.237	-0.314	50	10	BBGE	
C#CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	753987611	QQWMKZQFKPIYSV-JTQLQIEISA-N	230.223	-0.229	50	10	BBGE	
COc1cc(CC(=O)NN(C)C(N)=O)ccn1	816958284	LXZKOUXSMZWGSR-UHFFFAOYSA-N	238.247	-0.326	50	10	BBGE	
O=C(CCOC1CNC1)NNc1ncccn1	826726519	TVAMFJXZZFDZRX-UHFFFAOYSA-N	237.263	-0.702	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)C2CC2)C1	895462315	MINCQBJTDPHKTD-HTRCEHHLSA-N	212.249	-0.031	50	10	BBGE	
COCCN(C)NC(=O)C1(OC)CCOCC1	1157606506	RPAWBJGTYHYGEE-UHFFFAOYSA-N	246.307	-0.209	50	10	BBGE	
CCCc1cc(C(=O)NNC(=O)CO)no1	1638526164	GJOPEASNYJNHLC-UHFFFAOYSA-N	227.220	-0.620	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	1648686998	YVCOYKNIKODVLS-GJMOJQLCSA-N	212.249	-0.438	50	10	BBGE	
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NN	1879945900	VPRLXFARCFPOLJ-YFKPBYRVSA-N	219.241	-0.179	50	10	BBGE	
O=C(CNO)NC[C@H]1C[C@H]1Br	1880434505	QSKWLKBUEZSNRW-RFZPGFLSSA-N	223.070	-0.135	50	10	BBGE	
Cc1ncc(B(O)O)c(SC2CC2)n1	1885053295	YBHWDCNCKKOWLE-UHFFFAOYSA-N	210.067	-0.281	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CCCC(=O)NN	1885791097	QTHSOANFOMPMDJ-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)CC12CNC2	1886857608	UHRAGGQFTNKHLU-YUMQZZPRSA-N	215.684	-0.474	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)C#N	1888571194	DOTAPPCWNPVLTF-ZCFIWIBFSA-N	219.266	-0.541	50	10	BBGE	
N[C@@H]1COCCN(C(=O)[C@H]2C[C@H]2Cl)C1	1893453562	OGHNPWCRLICYSU-BIIVOSGPSA-N	218.684	-0.200	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)NCC1CC(Cl)C1	1893509308	LRTPOUGIDJAIKX-LFHVAVFRSA-N	220.700	-0.172	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@@H]1CF	1900467447	SEZAMURUFOPJAX-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CCOCCOCCO[C@H](C)CC(=O)NN	1900890913	UYEJCEONEXJZLA-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
CCC[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901340889	LMSQPURVWMSCSF-MRVPVSSYSA-N	249.336	-0.431	50	10	BBGE	
CN(NC(=O)CC(C)(C)N)S(=O)(=O)C1CC1	1901341401	UVUQODHLPRJNJT-UHFFFAOYSA-N	249.336	-0.431	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1C=CCN1	1901368317	KHPNXXZFAKEKRU-QMMMGPOBSA-N	247.320	-0.784	50	10	BBGE	
CC(C)=C(CN1CCC12CN(C)C2)B(O)O	1901697390	BGCWWWSQKDAOMQ-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)[C@H]1CF	1905009438	NFZWJGKEVUJNCM-JWXFUTCRSA-N	225.647	-0.484	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@@H]1CO	1909057168	SAXBXEPSMSSAJV-BDAKNGLRSA-N	213.281	-0.766	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)N1CC[C@@H](O)C1	1914178258	ZFWNSKXMRRDPQZ-RNFRBKRXSA-N	242.728	-0.485	50	10	BBGE	
Cn1nnnc1N(CCCl)C1COC1	1915538778	KKFWFOBNCDZEKE-UHFFFAOYSA-N	217.660	-0.346	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@](F)(CO)C1	1917101555	WJOSFHJKRQSDSC-MRTMQBJTSA-N	231.271	-0.981	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(N)CCOC2)CC1	1917113433	XRLQXVOVQWAFOG-NSHDSACASA-N	221.260	-0.214	50	10	BBGE	
C=C1COC[C@@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1918867758	GBDOFLUNIZWSNX-LURJTMIESA-N	241.682	-0.188	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927910756	IZODRPXLSKWOQP-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
Cn1[nH]cnc1=N[C@@H]1COC[C@H]1Cl	1930288938	FILIGTHXNPPWHK-PHDIDXHHSA-N	202.645	-0.345	50	10	BBGE	
Cn1nc(C(=O)NNC(N)=O)cc1Cl	1933196979	JTDXZFANJPPHBQ-UHFFFAOYSA-N	217.616	-0.613	50	10	BBGE	
CCN(C)[C@H]1CCN(CC(=O)NN)C1	1933286525	JCJKDZNVZWIHQV-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@H]1C[C@H]1C(=O)NN	1936084395	MYDZRFOLXNIFEL-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CSC[C@H]2C1	1936095188	UUKQPYYYVUAIGF-DOLQZWNJSA-N	241.360	-0.093	50	10	BBGE	
NC(=O)COC1CN(c2nnc(CCl)o2)C1	1936465419	MHBNGJQVFWEWRF-UHFFFAOYSA-N	246.654	-0.501	50	10	BBGE	
CCOC(=O)NCc1scc(C)c1B(O)O	1939865179	XZGYRCRNKYONMM-UHFFFAOYSA-N	243.093	-0.018	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H]2COCC[C@@H]21	1940343114	HTLITYSQYLWYSB-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2nccc2C1	1941177941	KIJYYLJRTNFNMQ-IUCAKERBSA-N	237.307	-0.287	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](N)C2	1946024908	WOGWHTXHEZZWPE-ILWJIGKKSA-N	240.307	-0.892	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1946111382	WUOFISHEBNFDLX-XKNYDFJKSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1cnn(C[C@@]23CCC[C@H]2CCO3)c1	1947436759	OGIJYCVPTCQVRA-ONGXEEELSA-N	236.080	-0.478	50	10	BBGE	
C[C@@H]([C@H]1CC(=O)OC1=O)S(C)(=O)=O	1951529905	ZYYPLYRHJUXKSN-CRCLSJGQSA-N	206.219	-0.491	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](C)[C@H](O)CO	1954512718	KBFMBGQKGQFNIG-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
NNC(=O)C(=O)NC12CCC(F)(CC1)C2	1958763096	MEMNPJFCIZKAHH-UHFFFAOYSA-N	215.228	-0.483	50	10	BBGE	
CC[C@H](C)N(C)c1ncccc1B(O)O	1961694324	MULYJOQMGMSOIH-QMMMGPOBSA-N	208.070	-0.004	50	10	BBGE	
CN(CCC#N)CCC(F)(F)C(=O)NN	1975105290	YVPJWFWBMZCZNY-UHFFFAOYSA-N	220.223	-0.153	50	10	BBGE	
O=C1N[C@H]2CN(CC=CCCl)C[C@H]2NC1=O	1979506956	AHCOTOKLESZBBT-OCAPTIKFSA-N	243.694	-0.920	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2SC(=O)C=C2C1	1981027799	HWVXVIHSDDQWTO-QMMMGPOBSA-N	241.316	-0.360	50	10	BBGE	
CO[C@@H]1[C@H]2CCN(CC(=O)NN)[C@H]2C1(C)C	1984069865	RCGQZSLTWHDBPK-FXBDTBDDSA-N	227.308	-0.278	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ncc(B(O)O)s1	1984667252	NJBZFTSTPAYXSM-YFKPBYRVSA-N	244.081	-0.814	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CC[C@H]2C1	1987899997	OLDWUWASDYBDKH-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CNC(=O)Cn1nnc(C(=O)OC)c1CCl	1988544967	PUSPQURCHGSJNM-UHFFFAOYSA-N	246.654	-0.451	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@H]2CF)c1	1989257535	ODOFYOQMFSDDIN-JGVFFNPUSA-N	225.028	-0.254	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CC1CC1)C1COC1	1990126975	GEFQDDKULYUKAH-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)NCC=CB(O)O	1991331224	YWRTUWCBVUTXQZ-BDAKNGLRSA-N	247.125	-0.337	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]2C2CCC2)n1	1992933276	CXGJZYDROJLYLG-VHSXEESVSA-N	220.081	-0.001	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](CO)C1(C)C	1997288946	FAMCTNIFXQIWGM-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)[C@H]1CC[C@H](O)CC1	1997586223	OHJPKOXAOGEGMY-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
Cn1cc(CN(CCC(=O)NN)C2CC2)cn1	2003797459	OLJJAJRUDGVXTD-UHFFFAOYSA-N	237.307	-0.236	50	10	BBGE	
CC1(C)[C@@H]2CN(c3ccc(B(O)O)cn3)C[C@H]21	2004912089	OKFHJDPTSWLZIY-NXEZZACHSA-N	232.092	-0.146	50	10	BBGE	
CCOCCN(C)c1ncc(C)cc1B(O)O	2005017450	FKGLEAMPTLFEEA-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H]2C(F)F)CC1	2006816437	HRVOMHNOZQWHPN-ZETCQYMHSA-N	249.261	-0.278	50	10	BBGE	
C=C1C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2007070494	RDWPBBZODDKHMA-SSDOTTSWSA-N	230.036	-0.918	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1COC2(CCCC2)C1	2009142108	FUFLMRFOPXTEMR-QMMMGPOBSA-N	241.291	-0.464	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@H]1F	2009200990	DNDOZOMNLUIZSU-IWSPIJDZSA-N	249.286	-0.950	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]1c1ccccc1	2022407773	KPKLKTWZWIBVEV-ZJUUUORDSA-N	233.271	-0.104	50	10	BBGE	
NNC(=O)C12COC(CN3CCCCO3)(C1)C2	2023853276	LUCMZPVMCDNZPK-UHFFFAOYSA-N	241.291	-0.447	50	10	BBGE	
N#CC1CN(C(=O)Nc2ccc(B(O)O)cc2)C1	2046350905	VDHKCFZIKQOZCY-UHFFFAOYSA-N	245.047	-0.646	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)nc2)C1=O	2056635599	GXITVDRWBDIJCN-UHFFFAOYSA-N	249.274	-0.448	50	10	BBGE	
CCc1c(F)cc(B(O)O)cc1[N+](=O)[O-]	2060089742	LKSPVRCBFNXEND-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
COc1cc([N+](=O)[O-])c(F)cc1B(O)O	2060094206	OFGKMLHUYJVCLP-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)C[C@H](O)[C@H]1C	2211251861	XFXHLYXBKPYSIU-RGOKHQFPSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[C@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2211767129	NCBWXWJYQUCFAR-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2212601092	INBIFOBFXIOGGP-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
CCO[C@@H](C)CNc1ncccc1B(O)O	2212601675	RLBXQUDPMIZSSL-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@@H]1C[C@H]1C	2212601756	SLHMCMJUQVAXEY-BKPPORCPSA-N	221.069	-0.387	50	10	BBGE	
CC[C@@H](N)COc1nccc(B(O)O)c1F	2212609251	OWEXRCRRMKERSV-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
CC(C)[C@@H](C)Cn1cc(B(O)O)cnc1=O	2212715283	KCTKGYGRUFEZRK-QMMMGPOBSA-N	224.069	-0.785	50	10	BBGE	
NC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214596388	PWIPIPDOCMZFEN-LBPRGKRZSA-N	234.108	-0.711	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCCC[C@@H]1CO	2215775378	GOFIXKCMCSRZQJ-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@]1(F)CCOC1	2216337491	HFPAGMSGWXVRMI-JTQLQIEISA-N	249.286	-0.947	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1F	2216528307	NNQRTAZUQUTCKQ-BDAKNGLRSA-N	245.298	-0.185	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)[C@H]1C[C@H](O)C1	2216881118	FCDAHBHXMMCSGG-MGCOHNPYSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1ccnc(NCCc2ccno2)c1	2217171567	CEPKJMMIPODBFZ-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCCOC1	2217181026	XBTLCMJLPILMGZ-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(NCc2ccon2)cc1B(O)O	2217182592	FMPUPEAAHJQRQB-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CCCNCCOc1nccc(B(O)O)c1F	2217186018	FGHWUNJTVMPBAD-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
C[C@@H](CN)C[C@@H](C)Oc1ccc(B(O)O)cn1	2217191804	LOBGUQRJRQCXHH-RKDXNWHRSA-N	238.096	-0.486	50	10	BBGE	
CC[C@H]1CN(c2cc(B(O)O)ccn2)CCO1	2217199236	BGVMVWYWYKVPBV-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]3C=C[C@H]2C3)nc1	2217200539	LHIIWZNGEGVMTP-NRPADANISA-N	231.064	-0.467	50	10	BBGE	
COC1CCN(c2cc(B(O)O)ccn2)CC1	2217204987	RPKJLBUALNJUIZ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CNc1cc(B(O)O)ccn1	2223671878	QUDQCUNATQIIMM-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
CC[C@H](O)CNS(=O)(=O)N1CC(Cl)C1	2241339100	XDUYTKMAECSOIC-ZETCQYMHSA-N	242.728	-0.485	50	10	BBGE	
CCONS(=O)(=O)N1CC(Cl)C1	2241353286	FOMJKZRQIGDPIG-UHFFFAOYSA-N	214.674	-0.305	50	10	BBGE	
CO[C@H](CCl)CN=c1nn[nH]n1C	2242441588	WBDKKJQLRROEMQ-RXMQYKEDSA-N	205.649	-0.702	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)s1	2243357607	ZAHQBOQCHVHIPT-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243363281	DGCCQUIWJNHIFC-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CC1)C1CCC1	2243363861	NLYSNIBLXDXHED-QMMMGPOBSA-N	226.085	-0.763	50	10	BBGE	
Cc1csc(C(=O)N[C@@H](C)CF)c1B(O)O	2243378486	ULPOJXHWSVHBSG-LURJTMIESA-N	245.084	-0.176	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1sncc1B(O)O	2243385479	JNLCICCSFCZAAR-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2243396574	NYWIBGOLXAVRFR-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
O=C(NOCC(F)(F)F)C1CC(B(O)O)C1	2243397036	UREQRHDVOQDKHX-UHFFFAOYSA-N	240.974	-0.151	50	10	BBGE	
O=C(NC1CC=CC1)c1csc(B(O)O)c1	2243401874	YHZKOWQWQSNBGI-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
CCN(C)C(=O)c1cc(C)ccc1B(O)O	2243409448	IBZPWOUNTZXQNC-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
O=C(N1CCO[C@H]2C[C@H]21)C1(B(O)O)CCC1	2243409545	KDHMMGLSODEPMP-SFYZADRCSA-N	225.053	-0.617	50	10	BBGE	
NC[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243410490	CFFBIBATUFJNFN-HTQZYQBOSA-N	226.085	-0.763	50	10	BBGE	
C[C@H]1COC[C@H]1NC(=O)C1CC(B(O)O)C1	2243414238	WOMRJQRFZXYBNE-DFAZKQQPSA-N	227.069	-0.610	50	10	BBGE	
CC1(C)COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243415422	UQRLAZRFTXKPLN-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
CCCN(C)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243426188	FRWCQXULYMUPOZ-IUCAKERBSA-N	228.101	-0.693	50	10	BBGE	
C=C(CS(=O)(=O)NCC1(C)CCC1)B(O)O	2243433951	SCPLQLOVXANXFH-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
C[C@@H](C(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2243753090	QMYRPWODVZPOPJ-LURJTMIESA-N	229.041	-0.685	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243753668	YEGMPAHLICBWSR-LYFYHCNISA-N	229.041	-0.781	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1cc(B(O)O)co1	2244210411	FGCSRFFWHVJDNX-ZETCQYMHSA-N	241.077	-0.805	50	10	BBGE	
CCc1cnn(C[C@@H](C)C(=O)NN)c(=O)c1	2245078335	FLJBXGSRMSUARZ-SSDOTTSWSA-N	224.264	-0.568	50	10	BBGE	
C[C@H](CO)N(C)c1cc(B(O)O)c(Cl)cn1	2245913299	PDRQURNGHSVVLX-ZCFIWIBFSA-N	244.487	-0.768	50	10	BBGE	
CC(C)(CCN1CC[C@]2(O)C[C@@H]2C1)C(=O)NN	2246743646	OBDUDOXKDYQPIS-SKDRFNHKSA-N	241.335	-0.151	50	10	BBGE	
COc1ccc(B(O)O)c(OCC2(C)CC2)n1	2247233175	MPPLYBSMNJKWQY-UHFFFAOYSA-N	237.064	-0.051	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1cc(B(O)O)c[nH]1	2247743796	JJDAWVSXNSXULQ-QMMMGPOBSA-N	235.052	-0.883	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCNC1	2247754667	FFBOWEHQADJJOO-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1F	2247787864	VWANVMTVRKQLSV-BZNPZCIMSA-N	245.059	-0.565	50	10	BBGE	
O=C(NCc1cccc(O)n1)[C@H]1C[C@@H]1B(O)O	2247792745	UUDQZGOSGPSCEC-YUMQZZPRSA-N	236.036	-0.734	50	10	BBGE	
C#CCN(CC#N)C(=O)c1cc(B(O)O)cs1	2247795366	HSGHEJCIONBEEH-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806000	LWRGVZPKKZDQKV-OPRDCNLKSA-N	240.112	-0.421	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCNCC1	2247807353	QROFCMHHNJBRBB-VHSXEESVSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)NCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247809721	QUUVYOUMEOACQC-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
C[C@]1(C2CC2)COCCN1C(=O)C#CB(O)O	2247847227	UGYSHNMNGZUXKH-LLVKDONJSA-N	237.064	-0.971	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCOC(C)(C)C1	2247852558	WJNCVIHJRUSVLB-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
CCC(CC)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247854368	BNLOPZKNTSAWSM-DTORHVGOSA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1CN(C(=O)c2ncccc2B(O)O)[C@@H]1C	2247869646	WEFFTDDIOGNJIW-JGVFFNPUSA-N	234.064	-0.758	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccc(B(O)O)cn1	2247869754	XWIGSYLZXMYDFK-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
NC1CC(F)(CNC(=O)C2(B(O)O)CCC2)C1	2247877825	DYPOLJVGNGDUDN-UHFFFAOYSA-N	244.075	-0.671	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1B(O)O	2247887591	POHLBLZUBKWDCL-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
COC[C@](C)(CNC(=O)[C@H]1C[C@H]1B(O)O)OC	2247888275	XXSOJUMCGNEVGF-XKSSXDPKSA-N	245.084	-0.983	50	10	BBGE	
CCC(CC)(CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247892875	JAWLPLDPKACJPU-DTORHVGOSA-N	242.128	-0.127	50	10	BBGE	
CCN(CC1CN(C)C1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895538	ARMLFHZENOJOHX-ZJUUUORDSA-N	240.112	-0.741	50	10	BBGE	
CC(C)N1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247896666	IWWQUMUTIHSJHQ-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247897037	NIBSGWZGZUBGSY-HLTSFMKQSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H](C)O1	2247898299	CCDDGWJVWDDZER-GRDBIXFFSA-N	241.096	-0.079	50	10	BBGE	
CC(C)CN(CCN)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905646	VJDBFAXKCUAMIK-AOOOYVTPSA-N	242.128	-0.317	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]1C1CCC1	2255491098	RQCAGXKNXUIDPO-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(C)C2COC2)c1	2255510860	AVMIHVHMTVVHGA-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1cccc(C(=O)NOCC2CC2)c1B(O)O	2255512279	XLUUCTVVMWNPCZ-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccc(B(O)O)cn1	2255516748	PNVMWSVSDWVPJY-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ncncc1B(O)O	2255521087	RQVXUBVABQBHIK-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
Cc1cccnc1CCNC(=O)[C@H]1C[C@H]1B(O)O	2255569796	ZCMMZZZQBSIMDA-VHSXEESVSA-N	248.091	-0.088	50	10	BBGE	
O=C(NCC1=CCCC1)c1ncccc1B(O)O	2255713652	FHZUTJGVQWHNJB-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2255715003	ZDIZURABDRBRNT-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(B(O)O)cc1F	2255718531	ASPNVNYTYIZHLL-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@H]2CCCN2)cc1B(O)O	2258767599	WHAIHISKBHDEOF-GXSJLCMTSA-N	249.123	-0.378	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)CCCl	2297136009	WFBVHEAZGXPBQJ-VQVTYTSYSA-N	227.713	-0.086	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2298371480	MFBQXFTUEMGANK-HKBCETJISA-N	240.112	-0.375	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1C[C@H]1B(O)O	2298376970	ZUCMQLIEDXYMHU-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463478	DRUMIJPJQRQSHE-OOJXKGFFSA-N	243.068	-0.535	50	10	BBGE	
NC[C@]12C[C@H](CCN1C(=O)[C@H]1C[C@@H]1B(O)O)C2	2302201679	PAAUQPCLQMCGTK-FTYOSLGDSA-N	238.096	-0.811	50	10	BBGE	
OC[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836211	JJLHIMZUZPBKME-IMTBSYHQSA-N	240.043	-0.917	50	10	BBGE	
CN[C@@H](C)CCOc1cc(B(O)O)c(F)cn1	2303858631	OOLUTTYELXTEMP-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
CO[C@H]1CNC[C@H](N2CCC(O)(C#N)CC2)C1	2304097838	AGIVMZNMDVSBSG-GHMZBOCLSA-N	239.319	-0.286	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2c1ncccc1B(O)O	2312615087	ZUVFBUVGRRXRFR-WCABBAIRSA-N	247.107	-0.923	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)CC1	70652450	LMIQUEWISFLMHP-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
NNC(=O)CCCCn1cnc([N+](=O)[O-])n1	82471426	SGYWAWBHCXKLRN-UHFFFAOYSA-N	228.212	-0.654	50	10	BBGE	
NNC(=O)CCCSc1ncn[nH]1	82471850	ALLMRUTXSOLZNB-UHFFFAOYSA-N	201.255	-0.333	50	10	BBGE	
CC(C)(N)CSC[C@H]1CC[C@H](C(=O)NN)O1	85349776	ZRBOHCIYBZZZQZ-HTQZYQBOSA-N	247.364	-0.006	50	10	BBGE	
COC(=O)CNS(=O)(=O)C[C@H](C)CCl	86550089	KWJPCBWSXCUHIG-ZCFIWIBFSA-N	243.712	-0.046	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)C1)C(=O)NN	86597815	GFKRZIQSIKYHKM-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)CCC(=O)Nc1nccs1	95831595	RYXBLICQLADFJM-UHFFFAOYSA-N	214.250	-0.148	50	10	BBGE	
CS(=O)(=O)[C@H](Br)C(N)=O	143731894	ADOHUKZBKKLBBO-REOHCLBHSA-N	216.056	-0.763	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)C1CC1	149056316	KZCUSVCEGQJCFO-LURJTMIESA-N	201.226	-0.375	50	10	BBGE	
CN(C)C(=O)CNC(=O)CCBr	168344437	FYSVNYBKRHCEBH-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
CCOCCOc1cc(F)ccc1B(O)O	211693539	YLCMWGWAZCOKKN-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
C[C@H](CO)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228232106	HWQBEZFNXKRNRG-VGMNWLOBSA-N	248.348	-0.115	50	10	BBGE	
COC[C@H](O[C@H]1CCC[C@@H](OC)C1)C(=O)NN	232418424	GJCYKPGMIZDNHU-UTLUCORTSA-N	246.307	-0.035	50	10	BBGE	
COC[C@H](Sc1ncc[nH]1)C(=O)NN	234715703	JQIPJEJYWZUFFJ-YFKPBYRVSA-N	216.266	-0.493	50	10	BBGE	
CC(=O)N/C(=C/C(=O)NN)c1ccco1	238144522	KWQUCLULHMFXCL-FNORWQNLSA-N	209.205	-0.254	50	10	BBGE	
COC(=O)C[C@@H](Cl)[C@H](N)C(=O)OC	238327631	JBGAUKIXHHKKKV-XINAWCOVSA-N	209.629	-0.343	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCCC[C@H]2C1	251221229	MZKGFFHHVAJUGA-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)c1ccc(CSCC(N)=O)nc1	300842683	RAXIQFGKWIJXES-UHFFFAOYSA-N	240.288	-0.596	50	10	BBGE	
CC1=N/C(=N\O)C(=O)N1C[C@H](O)CCl	306258204	ZLWGDKRDSGCEAX-OMITWISVSA-N	219.628	-0.366	50	10	BBGE	
O=[N+]([O-])c1ccnc(B(O)O)c1Br	306616431	OTJQKBKITPTVBD-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O=C1NCN[C@@H](Cl)[C@H]1Br	306736532	XNFHGCJKXDSFTL-PWNYCUMCSA-N	213.462	-0.008	50	10	BBGE	
OB(O)c1ccc(-c2ncccn2)s1	307062472	PAANIKCEAODEPE-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
COC(=O)[C@H]1SCC/C1=N/NC(N)=O	307475142	SZBJVNNNRYWTCH-AGHXJMCVSA-N	217.250	-0.311	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@H]1C	309811312	WNRKQWOKTZFDRN-IWSPIJDZSA-N	214.313	-0.611	50	10	BBGE	
CCOC(=O)C(N)=NOC(=O)CCl	382056384	ZNXYKXLOYRFUGF-UHFFFAOYSA-N	208.601	-0.396	50	10	BBGE	
C[C@@H](CC(=NNC(N)=O)C(=O)O)C(=O)O	383971868	OMZRHGPFDUNMDV-VKHMYHEASA-N	217.181	-0.794	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C(N(C)C)[C@H]2C1	384768271	OWEMOVSXWGLWSM-UTLUCORTSA-N	240.351	-0.363	50	10	BBGE	
CC(=O)c1cnn(Cc2nc(C(=O)NN)co2)c1	386773570	KHDBHENDUZLIBP-UHFFFAOYSA-N	249.230	-0.275	50	10	BBGE	
CNCCN(C)[C@@H](C(=O)NN)C(C)(C)C	395698112	FXCWBHPQMVTZEQ-QMMMGPOBSA-N	216.329	-0.458	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(O)cc(B(O)O)c1	396019680	GKPYHXBNLVXMCU-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
N#Cc1cc(CO)cc2c(B(O)O)csc12	396230603	YRVGGXMJVXDJKZ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
NC(=O)NNC(=O)CC[C@@H]1CCOC1	401516230	LDVTXTZTUMBAFQ-ZCFIWIBFSA-N	201.226	-0.497	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2CCCO2)cc(B(O)O)c1	405029643	OGEGGGVGFOUGSX-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
CCN(C)C(=O)NCc1ccc(B(O)O)cc1	405076110	MFQPJLHDWOBPHL-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
C[C@@]1(C(F)F)CN(C(=O)NN)CCO1	606279067	GSFNRAISFNZARD-ZETCQYMHSA-N	209.196	-0.074	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@@]12COC[C@@H]1C2	689291577	ZXZWTJIGLFXQIE-CABZTGNLSA-N	241.335	-0.029	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1COCCO1	690667923	SBIMWMXIISREMS-VIFPVBQESA-N	238.048	-0.839	50	10	BBGE	
C[C@H](CN1CCC[C@@H]2COC[C@H]21)C(=O)NN	690722433	XPKNUENQLOFHEN-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
COC(=O)CCN1CCC(O)(C#N)CC1	692167798	PKIDWISBKXXITM-UHFFFAOYSA-N	212.249	-0.100	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)CC[C@@H](C)O1	694922366	IFPZFYIHBLCUGL-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
Cc1nc(CC(=O)NNC(N)=O)cs1	700841737	SRFUABRRRWWLJC-UHFFFAOYSA-N	214.250	-0.306	50	10	BBGE	
O=C(NCB(O)O)c1ccc([N+](=O)[O-])c(F)c1	701952875	XKGQGJHIBFGJKW-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
O=C(NCB(O)O)c1cnccc1Cl	701956358	RRGQCEVOKCXVHN-UHFFFAOYSA-N	214.417	-0.523	50	10	BBGE	
CNC(=O)C[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452575	SONKQWRDOJXOPB-FXQIFTODSA-N	240.259	-0.573	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)C[C@@H]1CO	704010957	MWRUBAMXHTWVJY-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CNNC(=O)c1ccc(CNC(N)=O)cc1	704665846	RKWPRCNAYDYNQC-UHFFFAOYSA-N	222.248	-0.281	50	10	BBGE	
CCO[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	706445428	FLJPODWUGBEUKH-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](c1nn[nH]n1)N(C)C(=O)CCl	707210947	OUZVCBTWDXNYOU-SCSAIBSYSA-N	203.633	-0.042	50	10	BBGE	
O=C(CO)NNC(=O)c1scnc1C1CC1	753444221	GOEDHUCDCDQYKW-UHFFFAOYSA-N	241.272	-0.226	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)C23CC(C2)C3)nn1	863895495	OHLJEHKAQITAJY-UHFFFAOYSA-N	247.258	-0.181	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2)C1CC1	929231199	DCWUFRSMRFBVLD-IWSPIJDZSA-N	222.244	-0.113	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1	1136046252	QVJKCZXOCLXJRD-MRVPVSSYSA-N	222.248	-0.387	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NNC(=O)NC1CC1	1136412270	UACWRJJNOMFULW-SREVYHEPSA-N	238.247	-0.077	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1cnn(C)c1	1544186722	ZJUIXNSTQRSQRC-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cc(CO)on1	1597277900	QWJUYLADKVJSQY-UHFFFAOYSA-N	242.235	-0.527	50	10	BBGE	
Cc1cc(=NNC(=O)CCc2nn[nH]n2)cc[nH]1	1630051342	ZWIMSMDOSLGCOM-UHFFFAOYSA-N	247.262	-0.599	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1nsnc1O	1643696174	AYVPRYPZMJFDNM-BYPYZUCNSA-N	232.265	-0.799	50	10	BBGE	
CNS(=O)(=O)NC[C@@H]1C[C@H]1Br	1877372645	OBXFYMBYGYDHRO-CRCLSJGQSA-N	243.126	-0.176	50	10	BBGE	
NOCCNC(=O)[C@H]1C[C@@H]1Br	1880433353	FIIYOQDIZJZFNS-WHFBIAKZSA-N	223.070	-0.224	50	10	BBGE	
C[C@@H](COC(F)(F)C(=O)NN)N(C)C	1884724797	HMMJHJXIGAAZGF-YFKPBYRVSA-N	211.212	-0.464	50	10	BBGE	
C[C@H]1COC[C@@H]1O[C@H](C)CC(=O)NN	1888042895	LRNXLSXALQEPQS-RNJXMRFFSA-N	202.254	-0.194	50	10	BBGE	
CN(NC(N)=O)S(=O)(=O)C1CCC1	1888555560	ZVQPDXMXPOCVII-UHFFFAOYSA-N	207.255	-0.616	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@@H]2Br)C1=O	1891863434	YXKLWZAAHKLALX-WDSKDSINSA-N	247.092	-0.272	50	10	BBGE	
COC1(C(=O)NC[C@H]2C[C@@H]2Cl)CNC1	1893119448	OIDXVBMLHHSKME-RQJHMYQMSA-N	218.684	-0.282	50	10	BBGE	
CN1CC[C@H]([C@H](N)[C@@H]2C[C@@H]2Cl)S1(=O)=O	1893445605	DOEBYAXCISROHP-ULAWRXDQSA-N	238.740	-0.025	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475367	SPYPTWIYZWTHMQ-DPYQTVNSSA-N	221.640	-0.436	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](C)S1(=O)=O	1894146115	SNAJXZUYZDZQMJ-JGVFFNPUSA-N	249.336	-0.431	50	10	BBGE	
CN(CC(=O)NN)Cc1snnc1C1CC1	1899824411	YRLPIDNQILPRFA-UHFFFAOYSA-N	241.320	-0.163	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2C[C@H]1CN2C)B(O)O	1901699239	CXJSULLWCGOIGW-UWVGGRQHSA-N	224.113	-0.277	50	10	BBGE	
C[C@@H](C(N)=O)N(C)[C@H](C)CCCC(=O)NN	1901753432	VKDHHHBVCVYUMR-SFYZADRCSA-N	230.312	-0.659	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1ccc(C(=O)NN)o1	1908493547	IWBXWQWIUUEKQB-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC=CC[C@H]1CO	1909020108	YPJBUBZZERYLPT-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
Cc1ccn(C[C@H](C)C(=O)NN)c(=O)c1	1912228959	IIGKICGCSZGKQU-QMMMGPOBSA-N	209.249	-0.217	50	10	BBGE	
Cc1cc(C)n(C[C@H](C)C(=O)NN)c(=O)c1C#N	1912244847	ODKLAQXVIMKBCS-QMMMGPOBSA-N	248.286	-0.037	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCCC2)C[C@H]1CO	1912755079	YRMYCNXSCYTFMF-QMMMGPOBSA-N	241.291	-0.870	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154334	FVNZDQJMSLJRPQ-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](OCC(N)=O)C1	1928132740	MAUCMEFYHLHEIF-NKWVEPMBSA-N	234.683	-0.284	50	10	BBGE	
CON(C)Cc1cc(B(O)O)ccc1C	1928681744	HJJBNOAIUMNPJJ-UHFFFAOYSA-N	209.054	-0.332	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COC[C@@H]1Cl	1928685426	PURBIGCTLBVANN-NKWVEPMBSA-N	230.655	-0.600	50	10	BBGE	
Cn1cnc([C@@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934427923	MWRITQVJEGAMCX-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
C[C@@H](c1cncn1C)N(C)CC(=O)NN	1934637436	SRQRLVDGKDXWTP-ZETCQYMHSA-N	211.269	-0.597	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(OC(F)F)C1	1936094415	MVEIGSGUUKTGDH-FSPLSTOPSA-N	235.234	-0.464	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CCC[C@H]21	1936529917	ORAWJUSWFKQGIY-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)[C@H]1CCCOC1	1937725998	GMAFKPSOXYVRPC-BQBZGAKWSA-N	247.320	-0.708	50	10	BBGE	
CCC[C@H](OC[C@@H]1COCCO1)C(=O)NN	1939102552	UPTRCHGZXMCSHS-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@@H](O)[C@H]1CC2	1939158588	VJMXOURLTJHDAC-UTINFBMNSA-N	227.308	-0.257	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C(=O)N(C)C)CC1	1940302135	FMFJYVKGOREZGJ-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
CC1(C)CC[C@@H](CCNC(=O)C(=O)NN)OC1	1940624910	HHTLXSYSSIWKHO-QMMMGPOBSA-N	243.307	-0.312	50	10	BBGE	
CCOCCn1nc(CC)c(B(O)O)c1CC	1944689494	PUQZBSWRWBHWNA-UHFFFAOYSA-N	240.112	-0.276	50	10	BBGE	
CC[C@@H](O)CN(C)[C@@H](C)CC(=O)NN	1955926343	JNHGNPQLDOSVCR-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NNC(N)=S	1956345459	MRZBCJPKVFTGPI-ZCFIWIBFSA-N	219.310	-0.088	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC[C@@H]1F	1957434606	XRLYRWVSMJRWPA-WDSKDSINSA-N	203.217	-0.627	50	10	BBGE	
CO[C@H]1CC(N(C)C(=O)NN)C[C@@H]1OC	1957497145	PCBXIGFJCHKMFZ-YUMQZZPRSA-N	217.269	-0.306	50	10	BBGE	
ClCc1nnnn1[C@@H]1CO[C@@H]2COC[C@@H]21	1958079310	KJCSWZRRFNUMSD-FSDSQADBSA-N	230.655	-0.002	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](N2CC(O)C2)C1	1958208833	ANUPFAFWDNKLRP-HTQZYQBOSA-N	232.711	-0.109	50	10	BBGE	
CC1(C)C[C@H](CC(=O)NNC(N)=O)CO1	1958416670	UNPBUTJLQBHEQY-LURJTMIESA-N	215.253	-0.109	50	10	BBGE	
CCN(c1ncccc1B(O)O)C(C)C	1961694119	JWUOFFQOHATVEH-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1nc(B(O)O)cs1	1961718339	NDASHTJFGFNCQP-NKWVEPMBSA-N	226.110	-0.085	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	1974541227	OUQSTMAFODYUSD-BGZDPUMWSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCCC1=O	1975104822	UNMICIVRKYTTGT-UHFFFAOYSA-N	221.207	-0.376	50	10	BBGE	
NNC(=O)C(F)(F)CCSc1nc[nH]n1	1975109782	KZJLGXSLXULFDF-UHFFFAOYSA-N	237.235	-0.088	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)c1cccs1	1976980447	XYQHSVBFMRSNTE-RXMQYKEDSA-N	243.049	-0.596	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCC(F)(F)C1	1978310505	MOCIHHNCSQTZIY-LURJTMIESA-N	235.234	-0.082	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	1979249008	FHZORCVNFZUOPZ-SRQIZXRXSA-N	233.218	-0.474	50	10	BBGE	
C[C@H]1COC[C@H](C(=O)O)N1C(=O)NN(C)C	1980196513	ZYYOYSLPYIVGFS-NKWVEPMBSA-N	231.252	-0.654	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1N(C)CCC(=O)NN	1980816149	DYXBHUJERYIICN-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[S@](=O)C(C)(C)C1	1980949461	IMZIIYHZWKFOKY-PWJLMRLQSA-N	247.364	-0.402	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]2C2CC2)nc1	1981413485	HIGSVCHJEKWBOE-SNVBAGLBSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](F)[C@@H](F)C1	1981423971	MCJLLZIVRUATTA-YUMQZZPRSA-N	228.007	-0.742	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1CCOC1	1981430106	LIMWBZSXGYUYCG-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@H](CO)C[C@H]2C1)C(=O)NN	1982121547	MHIYIAPSTQMYAF-KATARQTJSA-N	227.308	-0.827	50	10	BBGE	
NNC(=O)CN1CC(O)(c2ccccc2)C1	1983887245	PFGSEHOGHWNWTR-UHFFFAOYSA-N	221.260	-0.820	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CC(F)C1	1984102404	UGBSKRPJYCHOAT-UHFFFAOYSA-N	225.028	-0.724	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C(C)(C)C	1986722437	HOYGVIHHXCTVBR-HRDYMLBCSA-N	229.324	-0.154	50	10	BBGE	
CCN1[C@H](C)CN(CCC(=O)NN)C[C@H]1C	1987303308	IMLZYEYPPPIHDD-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H]1CC[C@H](Cn2cc(B(O)O)cn2)O1	1993523449	KVBGGBORQHBISA-VHSXEESVSA-N	224.069	-0.480	50	10	BBGE	
CC(C)COC(=O)Nc1ncc(B(O)O)cn1	1996645149	GNEHUSFCPXFFBL-UHFFFAOYSA-N	239.040	-0.639	50	10	BBGE	
NNC(=O)CCN1CC[C@H](N2CCCC2=O)C1	2004408042	RRJVCPKJWXALRU-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
CC1(C)[C@H]2CN(c3ccncc3B(O)O)C[C@@H]21	2004925037	KVJCAGVDTRIEEM-IUCAKERBSA-N	232.092	-0.146	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CO[C@@H](C)C1	2004935557	OSKPQMFOFJEWQO-WPRPVWTQSA-N	237.064	-0.374	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H](F)C2)ccc1B(O)O	2005015108	WDBSVKZLSXRTDW-OIBJUYFYSA-N	238.071	-0.136	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C2(CCCC2)C1	2006028673	CEVOTVQYIYQUOW-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H](C)CCN(C)c1ncc(B(O)O)cn1	2009688685	CYXMRQMAMBAQHS-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
C[C@H](F)[C@H]1CCCN1c1ncc(B(O)O)cn1	2010589755	FBCKJDUHZWPWLY-IONNQARKSA-N	239.059	-0.517	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2C[C@H](C)C[C@H]2C1	2010601568	WNQLBJSHWWRNAY-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC[C@H]3C[C@@H]32)nc1	2016497063	NTZLIGSRWWCSRO-NRPADANISA-N	234.064	-0.419	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1COCC1(F)F	2020348683	MUEPQQZGZBMHOG-QMMMGPOBSA-N	244.990	-0.826	50	10	BBGE	
CN(C)CC(C)(C)COCCOCC(=O)NN	2021403934	HMTSDHZVTGLDAL-UHFFFAOYSA-N	247.339	-0.403	50	10	BBGE	
COC[C@H](O[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)C(=O)NN	2026821071	RZHYAJTWAONAGV-IDPDXULQSA-N	238.287	-0.482	50	10	BBGE	
Cc1nn(C)cc1COc1cncc(B(O)O)c1	2026960303	JFSIFZNLKPTDFO-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
N#Cc1nccn1Cc1cncc(C(=O)NN)c1	2027475754	VRHNBQGXSUOTPH-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
Cc1ncc(OCc2nccn2C)cc1B(O)O	2031594422	GMQYFCFORUIBMX-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1B(O)O	2052620614	VYKOQEYVIOBNCQ-KLBPJQLPSA-N	244.103	-0.086	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2052621346	GCGKRHQZQGSAIU-YJQGPUDQSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CC[C@@H]3C2)n1	2052623450	JOGXPGBVOGWJBL-NXEZZACHSA-N	247.107	-0.381	50	10	BBGE	
CCOc1ccc(F)c(OC)c1B(O)O	2060120882	KZICLTDYOREUQM-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)c([N+](=O)[O-])c1	2060282465	LJNQIWIPXQRENK-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1ccc(CN2C[C@@H]3C[C@H](C2)O3)cc1B(O)O	2077860982	DSZCHCROSOJAAY-TXEJJXNPSA-N	247.103	-0.352	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccccc1B(O)O	2079012462	UJQCZUVPWKTAPG-IUCAKERBSA-N	245.087	-0.105	50	10	BBGE	
CC1(C)NC(=O)O[C@@H]1CNC(=O)NN	2210030593	SXQJDGXFFMSVCF-SCSAIBSYSA-N	202.214	-0.954	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](F)C[C@@H](O)C1	2210694332	FQJOIMNHYKJMRH-XSPKLOCKSA-N	233.287	-0.594	50	10	BBGE	
Cc1nc(OCC2(F)CC2)ccc1B(O)O	2211062635	YZBHSYIWCZTWLI-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cccc(B(O)O)c1	2211133978	ICUZIPDXHYWDGH-QMMMGPOBSA-N	219.049	-0.513	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CC[C@H]2C1	2211136417	RNTCZIAWGYMNOK-OCAPTIKFSA-N	238.121	-0.335	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCC(F)(F)C2)nc1	2216400364	HDONHZIETCDQIG-ZETCQYMHSA-N	244.006	-0.277	50	10	BBGE	
C[C@H](CN1C[C@@H](CCO)C(C)(C)C1)C(=O)NN	2216475027	RNKQBRZUCHMYBG-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
COC1CC(N(C)c2cc(B(O)O)ccn2)C1	2217171509	BITUPZYKDRFFMI-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1c1ccc(B(O)O)cn1	2217185007	XOFRHITVEHYFTG-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
CC[C@H](N)C[C@@H](C)Oc1cc(B(O)O)ccn1	2217192745	JFBLUKILGGLXMH-SCZZXKLOSA-N	238.096	-0.344	50	10	BBGE	
CC(C)(C)CCCN=c1ncc(B(O)O)c[nH]1	2217202235	VMDZNQHSUOJYCP-UHFFFAOYSA-N	237.112	-0.184	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]nc2CN)CC1	2219839700	DIODKXRJYRRWQE-UHFFFAOYSA-N	249.274	-0.641	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220064621	OVDOIPKIZCBLHL-RAIGVLPGSA-N	246.119	-0.855	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1Cc1cccc(B(O)O)c1	2220072658	MJBDHRVSGUHWOW-GWCFXTLKSA-N	248.135	-0.322	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223671552	NTQLAVXLCSWZKY-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN(C3CC3)C2)nc1	2223671954	CGKZVQCHHOYZDB-JTQLQIEISA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1cccnc1NCC12CC(CCO1)C2	2223672477	GAYRFTFDVHWDAB-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cnc2=O)cc1	2224032929	RMTMJJVFMFWXDD-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
NC(=S)NNC(=O)Cc1cnsc1	2241360373	SSRCHBNWHWUEAH-UHFFFAOYSA-N	216.291	-0.450	50	10	BBGE	
C=C(F)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2241495775	MKXGWGQTIDBUHN-BQBZGAKWSA-N	201.006	-0.209	50	10	BBGE	
C[C@@H](CCl)C(=O)n1c(=O)cc(O)n(C)c1=O	2243048929	ODVXUPIDYQFHQT-YFKPBYRVSA-N	246.650	-0.232	50	10	BBGE	
O=C(NOCC1CC1)c1coc(B(O)O)c1	2243347270	KIQJUCRUGPTZIF-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
Cc1ccccc1N(C)C(=O)C#CB(O)O	2243356973	PJFVCBHICIWDGJ-UHFFFAOYSA-N	217.033	-0.027	50	10	BBGE	
CCCC1(NC(=O)C2(B(O)O)CC2)CNC1	2243364132	RLNLNSAJWFMVID-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
CC(C)N(C)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243395835	CJUJCTYQEFXZND-DTWKUNHWSA-N	228.101	-0.694	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2CSC[C@H]2C1	2243395928	FAGHBFBJZNRBKF-KZVJFYERSA-N	241.121	-0.329	50	10	BBGE	
CN(C[C@@H](F)C1CCC1)C(=O)C#CB(O)O	2243401345	PRBWHGGKDAWCDS-SECBINFHSA-N	227.044	-0.402	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1CO)C1(B(O)O)CCC1	2243410689	GGSMATNFSREKOA-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C=CC[C@@H]1CCN1S(=O)(=O)CC(=C)B(O)O	2243412867	VKPPGYNDZGQBSL-SECBINFHSA-N	245.109	-0.465	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCOCC1	2243415502	WMKHJSXQLIJEKG-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ncsc1B(O)O	2244143099	GHNXQUXTCFBGNV-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
CCOC(=O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247732207	DCJNFAHPFFXOGE-SSDOTTSWSA-N	243.068	-0.549	50	10	BBGE	
O=C(NCC1CC=CC1)c1coc(B(O)O)c1	2247735627	MZNLKQPZRWIUAJ-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(N1C[C@H](O)CCC12CC2)C1(B(O)O)CC1	2247755179	HLRVBLKEYPJPOS-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247797482	JZWGKAUGIJPQNT-SFYZADRCSA-N	231.020	-0.245	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247798172	QQFYTITZUJAWIC-AJIVMACJSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@H](B(O)O)C1	2247798781	XCXVWWRMDVSERL-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247799029	ZEMKGCWYQHYOHV-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
C=C[C@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247799550	FGVUOEXSNVVQNB-WCABBAIRSA-N	239.080	-0.347	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247809381	YXNKVIXAIQDDRV-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
CN1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]2C[C@H]21	2247809793	RKJAZZNWQRVKHR-YDYPAMBWSA-N	238.096	-0.846	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)C(C)(C)C1	2247842674	YLBCLNXXJJQKJD-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NCCF)c1	2247853435	MGXXFRUVMWJUER-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
CC[C@H](NC(=O)c1ccoc1B(O)O)C(F)F	2247868540	GXJGNUFPJHHSPD-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]2C)n1	2247871894	JADUVVYMFGZJTG-QMMMGPOBSA-N	234.064	-0.696	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247895442	SOLBRRZMBLAUDR-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@]12C[C@@H](CO)C2	2247898245	BPISZIMNJIODAG-KBIXCLLPSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248575268	AHWHQLUGAXESTP-BIIVOSGPSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H](C(=O)O)N(C(=O)C1(B(O)O)CC1)C1CC1	2248587363	OPFRTPVNKPPWDZ-LURJTMIESA-N	241.052	-0.543	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2C=C[C@H]1C2	2249998042	COUHFGDOVVPKDP-GARJFASQSA-N	233.076	-0.280	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@@H](C)O)C1CCC1	2250546389	SNPLOBXKSNJKHT-PSASIEDQSA-N	245.323	-0.773	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C(=O)[C@H]1C[C@H]1B(O)O	2250593285	JYLZLKSGPLQKIU-LPEHRKFASA-N	243.112	-0.285	50	10	BBGE	
OB(O)c1ccnc(OC[C@]23C[C@H](CO2)C3)c1	2251235932	IJUZVTWVFBRIRC-DKTWLAJQSA-N	235.048	-0.681	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1C	2255511541	LATCSASQFFVXHL-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255528387	AWNMQMHLDNXLEL-CMPLNLGQSA-N	248.091	-0.320	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255529164	FQUCRAYZHQPRHY-CMPLNLGQSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC[C@H]2C)n1	2255733836	REWHXGOEZONGBB-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cccc(C)c1B(O)O	2255735017	LGCMPRIUQMXMAL-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@H]1B(O)O	2255771875	XYHRQRLMPVPLFB-HRDYMLBCSA-N	249.079	-0.823	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1nccnc1B(O)O	2256050591	CFWAIMYQJSVELI-HTQZYQBOSA-N	249.079	-0.831	50	10	BBGE	
C#CCC(=O)N1CCCc2ccc(B(O)O)cc21	2256599513	FKKNVQPQXYGFDP-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
O=C(C=Cc1cccc(F)c1)NCC#CB(O)O	2256640726	UIIZBGAKPYIYBD-UHFFFAOYSA-N	247.034	-0.030	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2258132273	GIILAQUFTXLAKY-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cc(O)ccc1O	2258973287	IGIHVXIEGNLHQF-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
OB(O)c1cnc(OCCc2ccccc2)nc1	2263380554	DXPHLHDLSIPKCS-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
O=C(N[C@H]1CCN[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368843	ADRIWVBKZMGSAV-JXUBOQSCSA-N	238.096	-0.894	50	10	BBGE	
CC[C@@]1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369437	USINMKNRPQDLSZ-DKIAZLNASA-N	241.096	-0.077	50	10	BBGE	
C=C[C@@H](N)COc1ccc(C=O)c(B(O)O)c1	2301452360	GSMDRTMVSXADSO-SECBINFHSA-N	235.048	-0.929	50	10	BBGE	
O=Cc1ccc(NC2[C@@H]3CC[C@@H]23)cc1B(O)O	2301452385	GYWOBCSLEFFGRU-NXEZZACHSA-N	231.060	-0.001	50	10	BBGE	
O=C(c1ccc(=O)oc1)N1CC[C@H](B(O)O)C1	2303107628	ZEOFARGDOIAZBO-QMMMGPOBSA-N	237.020	-0.671	50	10	BBGE	
CCCN(CCO)c1cc(B(O)O)c(F)cn1	2303848047	SMJRDHODIBUWNL-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)n1	2309543764	DLWYEMVYPCAYDD-DKIAZLNASA-N	245.091	-0.691	50	10	BBGE	
C[C@H]1CNC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317206629	AHDIZZZGKDFNEU-QPUJVOFHSA-N	246.075	-0.775	50	10	BBGE	
C[C@H](NC(=O)Nc1cc(B(O)O)ccn1)C1CC1	2317593437	ZDZZVZNCUPSMRX-ZETCQYMHSA-N	249.079	-0.319	50	10	BBGE	
C[C@@H](NC=C(C#N)C(=O)NCCCl)C(=O)O	2325269391	QCLWRMUUMJUMIT-ZCFIWIBFSA-N	245.666	-0.188	50	10	BBGE	
Cc1csc(CNC(=O)C(=O)NN)n1	49540309	DHJAXGCNWSNSKH-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
O=C1C[C@@H](NC(=O)CCCl)C(O)=N1	82257479	RCIGMHKTSYQMTL-SCSAIBSYSA-N	204.613	-0.013	50	10	BBGE	
CN(C)[C@H]1CCN(CCCCC(=O)NN)C1	82469335	VYXYDAYDUSWOJO-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CCC(=O)NN)Sc1nncn1N	82472933	IBPACPZQKRWUMO-RXMQYKEDSA-N	230.297	-0.757	50	10	BBGE	
CN1CCN(CCC(=O)NN)CC1(C)C	82485345	LUJKAWYHRMYGDY-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
O=S(=O)(CCl)NCCn1cccn1	82513078	CPFBAUBYRACEPQ-UHFFFAOYSA-N	223.685	-0.001	50	10	BBGE	
C[C@@H](CO)N(C)S(=O)(=O)CCl	124545924	WFGFPXREJZMUFB-YFKPBYRVSA-N	201.675	-0.175	50	10	BBGE	
Cn1cc(S(N)(=O)=O)nc1CCl	148060039	QTBQSKZWWXJXBK-UHFFFAOYSA-N	209.658	-0.194	50	10	BBGE	
CCS(=O)(=O)N1CC[C@H]2C(=O)OC(=O)[C@@H]2C1	163212943	HWZJZEFTZBZFQE-RNFRBKRXSA-N	247.272	-0.642	50	10	BBGE	
N[C@@](CCCCB(O)O)(C(=O)O)C(F)F	170145029	QIYCLWKKKPVZJC-SSDOTTSWSA-N	225.000	-0.323	50	10	BBGE	in-vitro
NC(=S)c1ccc(B(O)O)c(Cl)c1	211687145	VYJXHSLBGSGSIP-UHFFFAOYSA-N	215.470	-0.346	50	10	BBGE	
CNC(=O)[C@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	230921055	KICKLFFRFYNUCM-LDYMZIIASA-N	242.323	-0.930	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@H](C)Br	234350080	XVIYCUXHWYBWIL-YFKPBYRVSA-N	237.097	-0.026	50	10	BBGE	
COCCOCCCOCCCC(=O)NN	234739548	JQHXFPYSFXSHAS-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
CCOC(=O)/C(C#N)=C/NNC(=O)NC	238287666	NWXGOROKTITWSC-AATRIKPKSA-N	212.209	-0.609	50	10	BBGE	
C[C@H](CCN)c1ccc2c(c1B(O)O)OCO2	258178010	FIWRWNPCAQFQBE-SSDOTTSWSA-N	237.064	-0.453	50	10	BBGE	
O[C@H](CCl)[C@@H]1OC[C@@H](Cl)[C@H](O)O1	307550988	RTIRCQLWLDMWOI-KVTDHHQDSA-N	217.048	-0.115	50	10	BBGE	
O=C(O)/C=C1\CN(C(=O)CCl)CCN1	379437844	ISELVFKGDXTFIP-ZZXKWVIFSA-N	218.640	-0.375	50	10	BBGE	
O=C(CBr)NCCn1cncn1	381680512	BQAYLQGSCAJVPG-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCCCl)C(N)=O	393684796	VARHMAKKPIJTGJ-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
O=C(O)CCc1cc(S)cc(B(O)O)c1	396029917	WYZAMYAPBWTVOE-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSCCC(N)=O)O1	399150414	FUIIMASTBJQAAZ-NKWVEPMBSA-N	247.320	-0.868	50	10	BBGE	
CNC(=O)CCS[C@H](C)C(=O)NN	399156873	BTTDPVWDOMPYBT-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@@H](C)C(=O)NN	401874562	BBWZDZDVWGWQCB-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@@H]1CCCOC1	402670449	CAQHYDJPUGURCT-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1O[C@H](CCl)[C@@H](Cl)[C@@H](O)[C@H]1O	616591293	VPDVIMQPZYMQKN-GKHCUFPYSA-N	231.075	-0.074	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1[C@@H](C)O	688641766	VACMFXOCMYNSGD-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CCN([C@H]1CCN(C)C1)[C@H](C)C(=O)NN	693436718	KQJYLSQQGJIVAA-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CN1CC[C@](O)(CNC(=O)CCl)C1	702652047	JZACGBBSJLCPJQ-QMMMGPOBSA-N	206.673	-0.592	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@@H]1CN(CC(=O)NN)C[C@@H]21	707994360	YCRCDNAHVPPESN-YTWAJWBKSA-N	238.335	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](C)(CO)C1	708287750	VEXUHKFNZGINKI-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CN(CCn1cnnn1)[C@H]1COC[C@@H]1Cl	712594565	QHMRMSIPHVEQCE-YUMQZZPRSA-N	231.687	-0.389	50	10	BBGE	
CC(C)(CN1C[C@H]2COC[C@H]2C1)C(=O)NN	718161388	PNURHGSILKSPEP-DTORHVGOSA-N	227.308	-0.419	50	10	BBGE	
Cc1c(C2=[S+]C(C=O)=CC2)[nH]n[n+]1C	725625574	QLAINBQDQVTEHS-UHFFFAOYSA-O	209.274	-0.368	50	10	BBGE	
COC(=O)CNC(=O)NN=C(C)c1cn[nH]c1	794858878	BTJWHLSOJNWSEJ-UHFFFAOYSA-N	239.235	-0.394	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)[C@H]1CCCO1)C1CC1	814344073	QKELJBDGDXYZHP-RKDXNWHRSA-N	242.275	-0.262	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)NC(C)C)n1	815139184	ATFKPAAZKFJUSC-UHFFFAOYSA-N	240.267	-0.350	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@]1(C)CCCO1	820209617	YJEOJGMGRILSPV-JTQLQIEISA-N	225.248	-0.481	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NNC(=O)CO)C1	897312599	JFBLQWCZTCBVRG-SSDOTTSWSA-N	230.264	-0.669	50	10	BBGE	
CCc1cc(CC(=O)NNC(=O)NC)n(C)n1	930585444	IHDQAUSGLMYTOC-UHFFFAOYSA-N	239.279	-0.515	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1ccncn1	1141135462	RHZMVJFCYBLIHY-UHFFFAOYSA-N	219.208	-0.720	50	10	BBGE	
C[C@H](C#N)C(=O)NCCSS(C)(=O)=O	1152961026	WBSPTBNPDMVBDA-ZCFIWIBFSA-N	236.318	-0.045	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cc[n+]([O-])cc1	1292240030	VOKHGHIYKWUKFG-UHFFFAOYSA-N	238.247	-0.326	50	10	BBGE	
CC(=O)NNC(=O)c1ccncc1NC(C)=O	1539518656	UVZWQSQCNZESAE-UHFFFAOYSA-N	236.231	-0.179	50	10	BBGE	
NC(=O)[C@H](N)C[C@@H]1C[C@@H]1Br	1877476497	RKOSKHLGUNOZPG-VAYJURFESA-N	207.071	-0.028	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2[C@H](O)C[C@H]2C1	1878210969	GANMVLLCTFHDHK-JQCXWYLXSA-N	205.685	-0.101	50	10	BBGE	
CNNC(=O)C#CCNC(=O)OC(C)(C)C	1879957483	CDHRZTYZMSCACT-UHFFFAOYSA-N	227.264	-0.235	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@@H]1C	1885870922	BSRIVPJLYWKHNY-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
CN1C[C@H](N(C)C[C@H](O)CCl)CC1=O	1887643163	YRYWGTOMGJSNFE-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
CN(C)C[C@H]1CCC[C@H](C(=O)NN)O1	1890884968	LLQGDKWPSVRTCS-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CN1CC[C@@H]2OCCN(C[C@@H](O)CCl)[C@@H]2C1	1896216157	STKOXQZIQYRDSA-AXFHLTTASA-N	248.754	-0.009	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271875	JNMOCSCOILACSL-LPEHRKFASA-N	226.324	-0.611	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cnsc1B(O)O	1900450683	JRZLHPZVTYGICJ-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cnsc1B(O)O	1900475450	UWUYDJBDIHNNBN-FSPLSTOPSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@]1(C)COCCO1	1900892888	NAXPRCLUFTYBDN-WCBMZHEXSA-N	232.280	-0.423	50	10	BBGE	
C=C(C)CC(=O)Nc1ncccc1B(O)O	1902404765	FSJPIBDSAIEXKM-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C[C@@H]1SCCN(C[C@@H](C)C(=O)NN)C1=O	1912261558	HYCQBJRWVKNIGX-RQJHMYQMSA-N	231.321	-0.424	50	10	BBGE	
COCC1CN(C[C@H](C)C(=O)NN)C1	1916282040	VRFGLUDGTGDWAT-ZETCQYMHSA-N	201.270	-0.809	50	10	BBGE	
NC(=S)NNC(=O)c1ncccc1F	1925804446	BSWWRQIBLRQLPL-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C(CO)[C@H]2C1	1929054133	GUODDQDCOOFIGT-BQBZGAKWSA-N	239.724	-0.275	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@@H]2CCl)n1	1929735590	JWRXQBKQXYTALC-RXMQYKEDSA-N	215.644	-0.337	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@](C)(O)CO1	1930291900	ROSSYRCVAOXEAA-IONNQARKSA-N	217.269	-0.857	50	10	BBGE	
CCCn1nccc1C(=O)NNC(N)=O	1930806525	JSUUCVXHKMRINW-UHFFFAOYSA-N	211.225	-0.394	50	10	BBGE	
CCn1nccc1CN(C)CC(=O)NN	1930808823	GCYNEPZXDNRCAU-UHFFFAOYSA-N	211.269	-0.675	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NCB(O)O)S1	1931579931	DAAFIKCVAQUKAA-PHDIDXHHSA-N	203.072	-0.601	50	10	BBGE	
COCCC1CN(C[C@@H](C)C(=O)NN)C1	1932058083	UBGLXDLYMPXMON-MRVPVSSYSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)CCCO[C@@H]1CCCOC1	1932288967	AYJHJJMGZRVURT-MRVPVSSYSA-N	202.254	-0.048	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)[C@H](C)Cl	1932514344	XOMDHEQTKMMHQO-WHFBIAKZSA-N	228.701	-0.593	50	10	BBGE	
CN(C(=O)NN)[C@H]1CS(=O)(=O)C1(C)C	1933183429	AIMHSBSANIMYQF-YFKPBYRVSA-N	221.282	-0.923	50	10	BBGE	
CC[S@](=O)N(C)Cc1ccc(B(O)O)s1	1935213802	HVZDJZYGGJOCLQ-HNNXBMFYSA-N	247.150	-0.457	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1937052883	IWMRIRQTRDTCCD-KKZNHRDASA-N	227.308	-0.685	50	10	BBGE	
CC[C@@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1937985238	RONVYLIGTIEMIZ-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CCC1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941084764	ILIGUQKQLIUHFC-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H](CO)C1	1941089656	WYOVVHUZWANEQZ-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
CO[C@H](CCS(C)(=O)=O)[C@H](O)C#N	1951361460	SPQFGHOFQYRXGX-RNFRBKRXSA-N	207.251	-0.679	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C[C@H](O)CCl	1954824196	URNXJVKEUVMAFI-RNFRBKRXSA-N	206.673	-0.594	50	10	BBGE	
O[C@H](CCl)CN1CC(n2cnnc2)C1	1956762059	XPDZDYGXNPBHLF-MRVPVSSYSA-N	216.672	-0.266	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@H](C)S(N)(=O)=O	1957318210	MBJPSGIBOPKTKS-WDSKDSINSA-N	242.728	-0.203	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)[C@@H](C)C(=O)NN)C1	1957582214	GGQQKMUOJPAOBC-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
CC(C)OC1CN([C@H](C)CC(=O)NN)C1	1958194082	JGQALSAWLFMIGW-MRVPVSSYSA-N	215.297	-0.136	50	10	BBGE	
CC1(C)C[C@@H](CC(=O)NNCCO)CO1	1958416427	RMAMHOQLUYXAOX-MRVPVSSYSA-N	216.281	-0.195	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncno1	1958694702	FQXPKQLGZPSJJP-ZCFIWIBFSA-N	213.241	-0.730	50	10	BBGE	
CC[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1958870806	SAJLNSASCSMDGC-RITPCOANSA-N	217.030	-0.925	50	10	BBGE	
O=C1OC[C@H]2CN(C[C@@H](O)CCl)CCN12	1961323229	NWOMLKJJHKMHEV-SFYZADRCSA-N	234.683	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)[C@@H](C)C1	1978943457	COJRUHOYBVEBLD-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
COC1(CF)CN(CC(F)(F)C(=O)NN)C1	1980378862	YSIZYSVMSVNPHM-UHFFFAOYSA-N	241.213	-0.718	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@H](O)C1	1980518469	HBKXIKBSFXYCFO-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@H]2C1=O)C(=O)NN	1980923242	SJCIUZZZEZYGMH-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CC[C@@H]21	1981417259	YQKLTBVZUMEPFW-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
CC[C@H]1CCN(c2ncccc2B(O)O)C1	1981424596	VXVWPNOUIJQPRG-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1nc(B(O)O)cs1	1981426644	PHMDBAMNEVZDMS-RQJHMYQMSA-N	243.093	-0.373	50	10	BBGE	
COC[C@H]1C[C@@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1982137323	QRVVTQHKUGNJFT-RITPCOANSA-N	243.698	-0.108	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1984542244	IUNWNXCZDIDYEX-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H](C)COC[C@@H]1CC[C@@H](C(=O)NN)O1	1986052184	QOSCUXYTLULAMK-VGMNWLOBSA-N	232.280	-0.425	50	10	BBGE	
CCN(Cc1nn[nH]n1)C(=O)/C=C/C(=O)Cl	1991703961	NGARCDHKOFTOQO-ONEGZZNKSA-N	243.654	-0.130	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1[C@H]2CCC[C@H]21	2002181625	HJNBDLXQHRIQPX-JGPRNRPPSA-N	241.335	-0.029	50	10	BBGE	
CCN(Cc1ccnn1C)C[C@@H](C)C(=O)NN	2003810769	FNEIDHWCJNIJKX-SECBINFHSA-N	239.323	-0.132	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2004918326	KGBBGOQWTHYIPE-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@H](CCO)C1	2005060631	LYTFYDCNUPAZIU-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN(C)C1CC(Oc2ccncc2B(O)O)C1	2012099185	GZUSHNVBFMCYGN-UHFFFAOYSA-N	236.080	-0.767	50	10	BBGE	
OB(O)c1ccc(OCC2[C@H]3COC[C@H]23)cc1	2015137705	PMSGFNFOJRRHKL-QWRGUYRKSA-N	234.060	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	2017624096	VNZDJPXXJPZVGL-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
Cc1cc(C)nc(C(=O)NCC#CB(O)O)c1	2021163965	AEVDFBZLUUKKMJ-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccccc1B(O)O	2022196111	GZBWEPMOXVXFFP-UHFFFAOYSA-N	237.064	-0.174	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2C[C@@H]21	2022196214	JBKAOKMDUPTJTP-KCJUWKMLSA-N	231.060	-0.399	50	10	BBGE	
Cc1ncc(OCc2cnccn2)cc1B(O)O	2031604415	MOVNREKOWROAFQ-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
O=C(N1CCC1)N1CCc2cccc(B(O)O)c21	2043145580	IHAFHAAPHQXPLJ-UHFFFAOYSA-N	246.075	-0.445	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3OCC[C@@H]3C2)n1	2052554623	XFLMNZYXJFEABZ-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
CCOc1c(B(O)O)ccc(F)c1C#N	2060169799	TWQOYNPAQLJYEE-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Nc1ccccc1C(=O)N1CC[C@H](B(O)O)C1	2208731941	MSQQCWIHODGNDB-QMMMGPOBSA-N	234.064	-0.042	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2209399870	HOIRAEIYWIMSCB-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1CN(Cc2nscc2B(O)O)C[C@@H]1C	2211138067	OWSJHMAELFCQFZ-YUMQZZPRSA-N	240.137	-0.089	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)cc1Cl	2211732491	WGPUACXRHDMYHI-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(CCCO)C1	2212384614	VWFBUSXBEJFQBW-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]2C2CC2)nc1	2212602018	XDZCVCJEFRCZQX-ZJUUUORDSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)[C@@H](F)C2)c1	2212603638	HYSRAOUQHUIIER-YUMQZZPRSA-N	228.007	-0.742	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213035583	YROGVYNMEOKEMQ-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@H](CO)C1	2215772835	QFGPVUFMRKMYJQ-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
CN(Cc1ncon1)CC1(C(=O)NN)CCC1	2216535267	YJFIOIFMJFRTDX-UHFFFAOYSA-N	239.279	-0.338	50	10	BBGE	
CC1(F)CN(CC2(C(=O)NN)CCOCC2)C1	2216871461	OBFOJWNMXPZPQW-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@H]2O)c1F	2217183506	IQGZQEWQIYFVSJ-JGVFFNPUSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC23CCC3)[nH]c1	2217205296	WZBLXXOGTZKSFH-VIFPVBQESA-N	232.092	-0.215	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223635295	VIYRGBJLFDNVII-HZQMYPQZSA-N	247.107	-0.718	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1c1cc(B(O)O)ccn1	2223638100	JANCZFFYEVBEIF-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
CNC(=O)c1sc(C)c(B(O)O)c1C	2241474759	KMINQOJBHOAMLM-UHFFFAOYSA-N	213.067	-0.596	50	10	BBGE	
CCC[S@](=O)N1CCC(B(O)O)CC1	2241741636	PQHNFPUVOQJOSY-AWEZNQCLSA-N	219.115	-0.001	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	2242027485	VIRDBVSQBRSGRW-XVMARJQXSA-N	220.700	-0.172	50	10	BBGE	
CO[C@H](CO)CNC(=O)CCBr	2242444495	DHCYUFLNKHQATQ-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CCOC1	2243348477	YETYCQMGRRVBGK-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243361567	CWJMEXYVEJJKJF-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(B(O)O)cs1	2243385613	LTKMZXKUZUZAPT-MRVPVSSYSA-N	237.089	-0.290	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243390729	AIBJMBKNOJCZRO-CIUDSAMLSA-N	228.101	-0.694	50	10	BBGE	
CCCCN(C)C(=O)c1ncsc1B(O)O	2243408330	LIGJTCGBAHVMBF-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)[C@H]1C[C@H]1B(O)O	2243426120	FGODXXBQUKLRBP-DJLDLDEBSA-N	227.069	-0.874	50	10	BBGE	
CCc1nsc(CN(C)[C@H](C)C(=O)NN)n1	2245049810	TUDGHIHTZQFIPQ-ZCFIWIBFSA-N	243.336	-0.089	50	10	BBGE	
CON(CC1CC1)c1ccc(B(O)O)cn1	2245115781	CGTSEHNXNFOMHM-UHFFFAOYSA-N	222.053	-0.461	50	10	BBGE	
NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	2246598689	OHSYUDXKZBQILN-HMJBSVBGSA-N	237.259	-0.993	50	10	BBGE	
CC1(C)CC[C@@H]1Cn1cc(B(O)O)ccc1=O	2247390476	HGADFFASEWRGLE-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
NC[C@@H]1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247750246	GPJRLCHBIGTSHL-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1C[C@H]1F	2247752625	SMCMLHRLNBBRCE-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2C[C@H]2C)c1	2247752809	WFCJYMWIBXAGJU-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)C1(B(O)O)CCC1	2247755781	JWLAXSHEGLFARY-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
CCC[C@H](C)CNC(=O)c1n[nH]cc1B(O)O	2247785321	JCNSNWGMVXBIGG-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncc[nH]1	2247785577	NCCHKMGNYQANTB-PRJMDXOYSA-N	237.068	-0.160	50	10	BBGE	
CCO[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247805384	BODQQQKAQWYBMX-OPRDCNLKSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCc1cncc(F)c1)[C@H]1C[C@H]1B(O)O	2247806056	DAFYQYSRQGOIPC-DTWKUNHWSA-N	238.027	-0.300	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1CO	2247808339	KVFRHHFNFJKOBY-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
C#C[C@@H](NC(=O)C#CB(O)O)C1CCCCC1	2247849229	XKBYAMOJXIOKBC-LLVKDONJSA-N	233.076	-0.300	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1C	2247852156	PKXAQZRYRHEAGM-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
CN1CCC(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247896768	KCMJGFNSVCSIDZ-VHSXEESVSA-N	240.112	-0.693	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247906268	XHJHGMACSOHZJF-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
CC(C)(C)[C@](C)(NC(=O)C#CB(O)O)C(=O)O	2248589274	OEGFWSWGTSFHLD-SNVBAGLBSA-N	241.052	-0.993	50	10	BBGE	
COc1ccc(CCNC(=O)C#CB(O)O)cc1	2255468703	FLHWJZVRQDAFGA-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1c[nH]nc1B(O)O	2255550459	MOGVXRZITQELGP-QMSLJYSESA-N	249.079	-0.992	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255669541	PRGSGBRWZLPUHD-NEPJDUFXSA-N	248.091	-0.531	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1ccc(B(O)O)o1	2255673015	NLNUTJITQXUDKC-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255714250	NYSXNWBEXWIVLG-NSHDSACASA-N	248.091	-0.368	50	10	BBGE	
Cc1cc(C(=O)NC2(C)COC2)ccc1B(O)O	2255735151	NZIRWROXCYBRTK-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)cc1O	2255952058	OBZFLCCQNYAWTB-UHFFFAOYSA-N	247.059	-0.785	50	10	BBGE	
CN(CCC1CC1)C(=O)c1nccnc1B(O)O	2256068558	CDHYCJORZXPBOV-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)CC[C@H]1O	2298166240	CHUMLDDJGSLQDS-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@H]1COCCC1(F)F)[C@@H]1C[C@H]1B(O)O	2298369986	KYZRQBANXBCLDM-QYNIQEEDSA-N	249.022	-0.610	50	10	BBGE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298370477	ZOTWLOGQNBTXLA-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
CCO[C@H]1C=CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371038	WMBQXMJAPJWWNM-IVZWLZJFSA-N	239.080	-0.347	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371904	ZEMKGCWYQHYOHV-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2298376075	GVTFXOFSXAIMPS-HOTMZDKISA-N	239.080	-0.467	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377505	TYSNYCQZUXZYLD-JQCXWYLXSA-N	240.112	-0.661	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1Cc2cccnc2C1	2300115063	KFDMKCDXMJZSDT-DTWKUNHWSA-N	232.048	-0.213	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2301841192	UACGUJMWTQBRTJ-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	2302404452	YTNVOBIBONPIQL-RCWTZXSCSA-N	240.351	-0.221	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@](C)(B(O)O)C2)n[nH]1	2303108108	DWKUNQCZXSSYHI-SECBINFHSA-N	238.056	-0.808	50	10	BBGE	
COC1(CNc2cc(B(O)O)c(F)cn2)CC1	2303834382	FCHVAONXGGLTOE-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
C[C@H](CN=c1cc(B(O)O)c(F)c[nH]1)C1CC1	2303834401	FLILWZLASCOCRS-SSDOTTSWSA-N	238.071	-0.220	50	10	BBGE	
N#CC1(O)CCN([C@@]2(C(=O)O)CCOC2)CC1	2304780873	YJVVRUGTFMXOIP-NSHDSACASA-N	240.259	-0.419	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C[C@@H]2CCC[C@@H]21	2310727149	RUPJVPRCRJFFQQ-LSJOCFKGSA-N	247.107	-0.219	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2312848153	PMUJZAJVFXNWBO-MAUMQABQSA-N	247.059	-0.560	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@H]2CO)cc1B(O)O	2317313401	WLCJTNLSGUNWEG-JOYOIKCWSA-N	249.075	-0.638	50	10	BBGE	
C#CCCN(c1cc(B(O)O)c(F)cn1)C1CC1	2320788181	NYZWBGHTMKQKFF-UHFFFAOYSA-N	248.066	-0.107	50	10	BBGE	
COCCNC(=O)CN(C)C(=O)CCl	37654280	KYZHUKRXEOGUKJ-UHFFFAOYSA-N	222.672	-0.554	50	10	BBGE	
COCCNC(=O)CCNC(=O)[C@H](C)Cl	41697273	HVRXCAUUXBZOBK-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
ClCc1nnnn1C[C@H]1COCCO1	54744067	WHNIKPBWUYGNDT-LURJTMIESA-N	218.644	-0.173	50	10	BBGE	
NNC(=O)C(=O)NCCC1=CCCCC1	58856165	OTFAACYQXLKNCN-UHFFFAOYSA-N	211.265	-0.017	50	10	BBGE	
CC(C)CC[C@H](C)NC(=O)C(=O)NN	68945397	QIAAMOSGGSLSNR-ZETCQYMHSA-N	201.270	-0.083	50	10	BBGE	
O=C(OC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1	80531598	FHGPXMBHNURJJW-YUMQZZPRSA-N	212.249	-0.440	50	10	BBGE	
CN1C(=O)[C@@H]2C=C(C#N)C(=O)N[C@@H]2N(C)C1=O	82300243	NTCMTPTURNFALL-RNFRBKRXSA-N	234.215	-0.968	50	10	BBGE	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NN	82464698	SRZXAKOIZVTYME-RXMQYKEDSA-N	226.192	-0.253	50	10	BBGE	
CC[C@@H](OC[C@H]1CCOC1)C(=O)NN	82465623	DRSWLXHUGNMRRU-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
COCCN(C)Cc1cc(C(=O)NN)no1	82470606	RRTPWTFLLLUNOJ-UHFFFAOYSA-N	228.252	-0.644	50	10	BBGE	
CNC(=O)[C@H](C)NS(=O)(=O)CCl	82513085	ZSQRNXKJCVUBCQ-BYPYZUCNSA-N	214.674	-0.763	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCCNC(=O)C1	83747968	MHEAORVIUDWIKE-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
NNC(=O)CCN1CCN2CCC[C@@H]2C1	86933491	LYKDWBKIMMNZFG-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
NNC(=O)C[C@H]1CCN(C(=O)C2CC2)C1	118580970	DYQQZKTYFSTTCF-SSDOTTSWSA-N	211.265	-0.375	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)C(C)(C)C	157727473	CUFFTPWTCVBNBB-ZCFIWIBFSA-N	201.270	-0.225	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H](C)C1	211985465	DXRTUCZVYSCLHP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H](N)CCC)B(O)O	213698274	XXFWXPTVDDISDU-IUCAKERBSA-N	230.117	-0.199	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\NCCOCCO	217183042	GMJLDITYNVRXNZ-NTMALXAHSA-N	241.291	-0.483	50	10	BBGE	
C[C@@H](N[C@@H](O)C(=O)NN)c1ccccc1	218532398	DHDICIKEYHKHGR-APPZFPTMSA-N	209.249	-0.355	50	10	BBGE	
O=C1CN([C@H]2C[C@@H]3CC[C@@H]2O3)CC(=O)O1	227377278	QEEMIVPPECUFAR-FXQIFTODSA-N	211.217	-0.308	50	10	BBGE	
COC[C@@H](S[C@@H](C)CCO)C(=O)NN	232421666	OKAYNGQTTBSWIA-NKWVEPMBSA-N	222.310	-0.505	50	10	BBGE	
COC(=O)[C@@H](Br)CNC[C@@H](C)O	234574479	WRFFCZQZNRQEGS-RITPCOANSA-N	240.097	-0.107	50	10	BBGE	
Cc1ccc(OCc2cn(C)nn2)c(B(O)O)c1	235868471	BWOKMWMJFOSQEF-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
N#Cc1cc(C(F)(F)F)c(B(O)O)cn1	238632049	BTNBADZMZSBHTI-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(C(C)=O)cn1	304218147	GUNLBJSMUCNZNH-MRVPVSSYSA-N	226.236	-0.737	50	10	BBGE	
N#C/C(C(N)=S)=C(\N)CC(N)=S	306779296	VMAYTJKIQVJFRF-ONEGZZNKSA-N	200.292	-0.315	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CCC(=O)NN)C1	306947415	PNLUCZZCVAAIKC-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CO[C@]1(C)CCN(C[C@H](C)C(=O)NN)C1	308886414	WVILLVRGGOYMAS-WCBMZHEXSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@H]1CCOC1	309012996	PTPQCGNEQYBUMK-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
Cc1nc([C@@H]2CCCNC2)ccc1B(O)O	309377748	WFUBUGOZPSKUEQ-SECBINFHSA-N	220.081	-0.463	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc(C(C)(C)C)n1	310357793	RIIIVQSRNNBNSL-ZETCQYMHSA-N	241.295	-0.247	50	10	BBGE	
CO[C@@H]1COCC[C@H]1NS(=O)(=O)CCl	310480425	LFSAEERWVWQUCF-RNFRBKRXSA-N	243.712	-0.094	50	10	BBGE	
CN(C)C(=O)NNS(=O)(=O)C1CC1	379417470	USNBMXDHWMYFKF-UHFFFAOYSA-N	207.255	-0.746	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](O)[C@H]1C	384912722	QAOBXDGEBDTPCC-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCSC[C@H]1CO	388187050	OLEBNEQJLDYBDS-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
CC(C)(CCN1CCCNC(=O)C1)C(=O)NN	395645752	ZGFJGYIQOWSZKP-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
COC(=O)CCc1c(C#N)cccc1B(O)O	396115529	WNRKZKHMABNAMC-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
O=Cc1csc2cc(CO)c(B(O)O)cc12	396341312	SXQQINKXSWVUFO-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1cc(O)cc2scc(B(O)O)c12	396388884	UZOJONWUZJXNAK-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](CN(C)Cc1ccncn1)C(=O)NN	396613562	GKPBYZZEHYYHFF-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
CN(CC[S@@](C)=O)S(=O)(=O)CCCl	398933435	PTDMSJQHOAUMLK-GFCCVEGCSA-N	247.769	-0.135	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCOC[C@@H](Cl)C1	399978956	WGWGBBMOZHPQRV-DTWKUNHWSA-N	249.694	-0.132	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	401933486	YLPTUPNASZQTKI-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1	403471943	OZOLLMKNQDBKSB-GJMOJQLCSA-N	211.265	-0.471	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(B(O)O)cc1F	405189784	SFXBVMLTODKZHX-INIZCTEOSA-N	245.084	-0.011	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1ccon1	496592324	RAQKBSRFBCKCHJ-UHFFFAOYSA-N	213.193	-0.054	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ccnn1C	689555027	WFGPLNCQSIHELD-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
N#CC1(O)CCN(c2cc(NN)ncn2)CC1	692150315	AEXQOFOMCOOFMF-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)CC1CN(C)C1	692719909	NQTFQFSYSCKHKO-UHFFFAOYSA-N	242.367	-0.114	50	10	BBGE	
O=C(/C=C/c1ccccc1F)NCB(O)O	702022059	OPAWWDDQESKDKO-AATRIKPKSA-N	223.012	-0.033	50	10	BBGE	
CN(Cc1nnnn1C)S(=O)(=O)CCl	707258110	RITSSUCZTPUYTB-UHFFFAOYSA-N	239.688	-0.832	50	10	BBGE	
NNC(=O)c1csc(CN2CC(O)C2)c1	711185496	ZIUCUTCXFGJVHA-UHFFFAOYSA-N	227.289	-0.472	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@@H]3C2=O)n1	715550406	RBSBKEZOHQPKSF-WDSKDSINSA-N	236.231	-0.744	50	10	BBGE	
CC(=O)NNC(=O)c1cc(Cl)ncn1	723229960	XUYVKIUSMYAYTP-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)[C@H]1COCCO1	845681370	VIPSFXJOTRGLQU-JGVFFNPUSA-N	241.247	-0.901	50	10	BBGE	
Cc1cccc(NNC(=O)[C@H]2COC(=O)N2)n1	862520284	QMTUVIMMFJMGPY-SSDOTTSWSA-N	236.231	-0.058	50	10	BBGE	
CCO[C@H]1[C@@H](C(=O)NN(C)C(N)=O)[C@H]1C	907189502	ZBDXJQLOXZFESN-DSYKOEDSSA-N	215.253	-0.301	50	10	BBGE	
C/C(Cl)=C\C(=O)NNC(=O)c1cn(C)nn1	912283002	UIYXQTPFKNSSBS-HWKANZROSA-N	243.654	-0.281	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)c1ncon1	1289418308	SAFQXWGWQHCBEY-YFKPBYRVSA-N	228.208	-0.744	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C/Cn1cncn1	1292131276	RWQCLLXVAHDSQS-ONEGZZNKSA-N	238.251	-0.815	50	10	BBGE	
COCCn1ncc(C(=O)NNC(C)=O)c1C	1330273260	APMYVFUZZOSTJK-UHFFFAOYSA-N	240.263	-0.381	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(NC(C)=O)cn1	1623582245	JQGFYFPHWPKVSW-UHFFFAOYSA-N	236.231	-0.179	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)CC1	1627980059	CZELVAPUFVDZMU-HJWRWDBZSA-N	237.259	-0.221	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1cccnn1	1651057848	PYMPSGMNUBZSBY-HYXAFXHYSA-N	236.231	-0.560	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1C[C@@H](O)[C@H](C)C1	1652931867	JAMAXMRRJCHLMI-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)C1COC1	1880634465	PSZJLDVXWRQPNI-YFKPBYRVSA-N	213.686	-0.068	50	10	BBGE	
COC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883565519	CGGTVXFJGUZZDE-RRKCRQDMSA-N	206.673	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](F)C1=O	1889042924	QFLURIZBAHCFDB-RITPCOANSA-N	203.217	-0.675	50	10	BBGE	
C[C@@H]1NCC(=O)N(C[C@H]2C[C@H]2Cl)C1=O	1893106252	DVXVPZGWADXRIC-RRKCRQDMSA-N	216.668	-0.039	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H](F)C1	1900250318	IYYWTLGUJUSKTM-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CC1CC(NC(=O)c2cnsc2B(O)O)C1	1900467261	QYXNAFNXHPMNNL-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](N)C1	1901378068	WKYJXFFBWUJQJN-OCAPTIKFSA-N	249.336	-0.575	50	10	BBGE	
CC[C@@](C)(CN(CCO)C1CC1)C(=O)NN	1902709130	KWGMDALOTUUDDE-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	1903005453	HESQZLVKCNIOFH-SFYZADRCSA-N	226.016	-0.900	50	10	BBGE	
C#C[C@H]1CCN1c1cc(B(O)O)c(F)cn1	1903005937	MWFOINMXQBWYIZ-ZETCQYMHSA-N	220.012	-0.888	50	10	BBGE	
C[C@@H](CN1CCCCS1(=O)=O)C(=O)NN	1912236677	BEIRUHPXAHKAOY-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
CS(C)(=O)=NC[C@H]1C[C@H]1C(=O)NN	1913521498	IBANHUYOIZJHDN-PHDIDXHHSA-N	205.283	-0.660	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1ncccc1B(O)O	1913595422	JJEUOBGXLFYGJX-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ncccc1B(O)O	1913605401	GBOROJQKVRURHM-RDDDGLTNSA-N	234.064	-0.254	50	10	BBGE	
O=C(CCCCCl)NCC(O)(CO)CO	1913802053	PJCGJCBOSLBFFN-UHFFFAOYSA-N	239.699	-0.773	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN=S1(=O)CCCC1	1913854859	PJSVSIFLVJOHBS-JGVFFNPUSA-N	231.321	-0.126	50	10	BBGE	
NNC(=O)CCCN1CC2(CCOCC2)C1	1915591465	ZGKSYJGOWJCPCK-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
CN[C@H]1COC[C@@H]1C(=O)N1CC=C(C#N)CC1	1917052035	HVAQMTREWCDXIM-QWRGUYRKSA-N	235.287	-0.097	50	10	BBGE	
C=CCNC(=O)[C@@H](C)NNC(=O)C(F)(F)F	1923438748	HDOKJPIBEMNVPW-RXMQYKEDSA-N	239.197	-0.140	50	10	BBGE	
C[C@@H]1CCN(C(=O)NN)[C@@H]1C(=O)N(C)C	1928671213	HRFDSKOXDNIITH-RQJHMYQMSA-N	214.269	-0.632	50	10	BBGE	
O=C(CCl)N1[C@H](CO)C[C@@H]2OCC[C@H]21	1928936505	HEFLAKOKKDRBAR-RNJXMRFFSA-N	219.668	-0.024	50	10	BBGE	
O=C(NCCCCl)[C@@H]1CCS1(=O)=O	1930861651	JGCPDVSXYNKQFF-LURJTMIESA-N	225.697	-0.081	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1COC[C@@H]1O	1933390810	ZHNGIQOBTZOYSJ-ACZMJKKPSA-N	207.657	-0.263	50	10	BBGE	
C[C@H]1OCCN(CC(F)(F)C(=O)NN)[C@@H]1C	1935942463	QQFVADBJVHHZCI-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[S@@](=O)CC1	1936093838	HZRIMARKASLYKU-AGRCIMAESA-N	245.348	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)C[C@H]1C	1939637520	HEKNRFRJEANDKY-KATARQTJSA-N	229.324	-0.296	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@H]1C[C@H]1C(=O)NN	1941071631	GIQOMCUYNBLRTE-LNFKQOIKSA-N	241.335	-0.295	50	10	BBGE	
CCNC(=O)CN(CC)C[C@H]1C[C@H]1C(=O)NN	1941084923	APLHEZCXOCXARI-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1C[C@H](C)C(=O)NN	1942614099	UZDUUYTZPKVLHL-CIUDSAMLSA-N	242.323	-0.931	50	10	BBGE	
COC[C@H]1[C@H]2CN(C[C@@H](C)C(=O)NN)CC[C@H]21	1944578116	IJKPIBOOUKPVMB-CHWFTXMASA-N	241.335	-0.173	50	10	BBGE	
C[C@H](CN1CC2(CCC2)C[C@H]1CO)C(=O)NN	1946221525	GHQOGKXATKJIHV-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[S@](=O)C1CN(C(=O)CBr)C1	1953326521	ORLBHMKMBJPNTI-NSHDSACASA-N	240.122	-0.029	50	10	BBGE	
C[S@](=O)(=NC(=O)NN)N1CCCC1	1953876979	SNSNULIQXCBFNU-ZDUSSCGKSA-N	206.271	-0.322	50	10	BBGE	
NC(=O)CN(CC=CCCl)CC(N)=O	1956256583	QMOMOMXSGLVATD-UHFFFAOYSA-N	219.672	-0.946	50	10	BBGE	
C[C@H]1CO[C@@H](CN2CC(=O)OC(=O)C2)C1	1957584461	OHFHRLGFUZFLPJ-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
C[S@@](=O)CCCCN1CC(=O)OC(=O)C1	1957682205	JBFSZQFKKZVEMN-OAHLLOKOSA-N	233.289	-0.470	50	10	BBGE	
NNC(=O)N1CCOC2(CCOCC2)C1	1960909315	WVSVFWBSHWYNTJ-UHFFFAOYSA-N	215.253	-0.549	50	10	BBGE	
CCN(c1ncncc1B(O)O)C1CC1	1961691243	MYWHYAROCFBJQS-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC(OC)C2)C1	1977524240	RWTLEMSBWJTONB-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
C[C@H](N=[S@](C)(=O)N1CCCCC1)C(=O)NN	1979784706	MBPWPWBPACLSJN-PWJLMRLQSA-N	248.352	-0.137	50	10	BBGE	
COC1(Cn2nc(C)c(B(O)O)c2C)CC1	1979951937	GGOBFDWXGPNCQK-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@]2(O)C1	1980982201	NFHUYEGQWZLDLI-LOKLDPHHSA-N	225.292	-0.931	50	10	BBGE	
CC1(C)C[C@H](OCCOCC(=O)NN)CO1	1981314738	YRSDLDZDYHJBRK-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
COC[C@]1(C)CCN1CCOCC(=O)NN	1982943701	FXKUKZVETNPGDB-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1CCN1C	1987093022	QSUULSMVTSINER-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COC[C@@H]1C	1990775254	TVHZYFYCDDOSMO-IONNQARKSA-N	229.280	-0.880	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)N1CC(O)(C(=O)O)C1	1991454037	UFJVJZCXJXCVTN-WDSKDSINSA-N	248.666	-0.545	50	10	BBGE	
Cn1cc(C(=O)[C@@H]2C[C@H]2Cl)c(=O)n(C)c1=O	1991685613	MGSAMJYALOXQPY-IYSWYEEDSA-N	242.662	-0.106	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCn2cnnc2C1	1991709321	HXRXQRGIJWGGKE-OWOJBTEDSA-N	240.650	-0.058	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@H]2COC[C@H]21	1991715714	YGUXPDQVLPWJHV-PPYPBTKYSA-N	244.678	-0.493	50	10	BBGE	
CCn1nnc(CN[C@H]2CN(C)C[C@@H]2Cl)n1	1992011500	GHVIPTPTTMWYQT-YUMQZZPRSA-N	244.730	-0.296	50	10	BBGE	
COC[C@@](C)(CN(C)[C@@H](C)C(=O)NN)OC	1992135287	MBHRGQDWBBBFPN-WCBMZHEXSA-N	233.312	-0.652	50	10	BBGE	
C=C(CN(C)[C@@H]1CCCN(C)CC1)B(O)O	1992145938	IHONTZZMRSTRGJ-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
C=C(CN1CC[C@H](OC)[C@@H](OC)C1)B(O)O	1992787338	OQLJSQATNSGQMX-UWVGGRQHSA-N	229.085	-0.710	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)CCOCC(=O)NN	1992948389	VHTGUEVFJJVPAC-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)CCCN1CC(=O)N2CCC[C@@H]2C1	1996426726	IZUFLYAPBNWFBE-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
COCCN1CC[C@@H](N(C)CCC(=O)NN)C1	1997504518	RWELHCBZNSVUEY-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC1(C)CO[C@@H]1COc1cncc(B(O)O)c1	1998271075	RNERLMBDSCDQBL-SNVBAGLBSA-N	237.064	-0.435	50	10	BBGE	
CC1(C#N)CCN(CCOCC(=O)NN)CC1	2004358535	KKXHAGVUTKOCFX-UHFFFAOYSA-N	240.307	-0.381	50	10	BBGE	
C[C@@H]1C[C@H](OCc2nc(C(=O)NN)co2)CO1	2004761067	GIDIMTKXTQDGIX-RQJHMYQMSA-N	241.247	-0.028	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	2006196640	BFBWADICHKSAHX-RTCCRHLQSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOCC2)cn1	2007739974	CPAPHCGMGPTRBF-UHFFFAOYSA-N	236.275	-0.483	50	10	BBGE	
CN(C)C1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010835797	SHIRVRXZWBHLIE-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1[C@@H](C(=O)NN)c1ccccc1	2011372850	LLXFOYOBPUJURE-DVVUODLYSA-N	235.287	-0.217	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2COC[C@@H]2C1	2019213026	UJBQFDYSOXMOOT-UWVGGRQHSA-N	241.291	-0.878	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CCCOC1	2020060685	CKDFEUDTCCERCP-PSASIEDQSA-N	239.080	-0.370	50	10	BBGE	
C[C@H]1CN(C)CCCN1c1ccncc1B(O)O	2052499359	RTKUKMQKCQCYHY-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCN(C)[C@@H](C)C2)n1	2052625009	VSRHTCUZSMBZIO-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1c(B(O)O)c(C)nn1C(C)(C)C	2059980379	NEKCPXNLCSUQCH-UHFFFAOYSA-N	212.058	-0.365	50	10	BBGE	
CCOc1c(B(O)O)cc(C)cc1[N+](=O)[O-]	2060032866	AXIASHPNHBGFSB-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCC1(C(=O)Nc2ncc(B(O)O)c(C)n2)CC1	2069483437	VSQVCELLBPYJSR-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
O=C1COC2(CN1)CN(C(=O)[C@@H]1C[C@@H]1Cl)C2	2208840774	AGGXJYNOZHKLNS-RQJHMYQMSA-N	244.678	-0.659	50	10	BBGE	
C[C@@H](CN1CC(C[C@@H](C)CO)C1)C(=O)NN	2212383376	FSBKEFPUQVVAIF-BDAKNGLRSA-N	229.324	-0.437	50	10	BBGE	
CCCN(OC)c1nccc(B(O)O)c1F	2212603806	IXWUOBBYGJATCN-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
OB(O)c1ccc(NCC2[C@@H]3CC[C@@H]23)nc1	2212610960	RYAWTGZAEBYXMT-RKDXNWHRSA-N	218.065	-0.171	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2(CC(O)C2)C1	2215770736	DFHMNMCTRSITOX-SCZZXKLOSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217180945	MGPLSJHSAFEPCL-MWLCHTKSSA-N	234.108	-0.113	50	10	BBGE	
NC1(CCCOc2cc(B(O)O)ccn2)CC1	2217186797	PDJRBHUFIHVRES-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)C(C)(C)N	2217190915	AZPJJZIJHUESPS-LURJTMIESA-N	242.059	-0.595	50	10	BBGE	
OB(O)c1ccnc(NCCOC(F)(F)F)c1	2217200203	RMLJLWTZTMBLTG-UHFFFAOYSA-N	249.985	-0.290	50	10	BBGE	
OB(O)c1ccnc(N2CCC(F)(F)CC2)c1	2217200730	VLTQYCJFXSOTOC-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
CC[C@@H](O)CCCN=c1ccc(B(O)O)c[nH]1	2217203249	RTBBQPNLQFLESG-SNVBAGLBSA-N	238.096	-0.854	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@H]1C(C)C	2217213708	OZOSROMALSZMCJ-JTQLQIEISA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@]12CCCO2	2223632549	LKWPDGOJFKDORQ-CMPLNLGQSA-N	248.091	-0.115	50	10	BBGE	
Cc1cnc(N2C[C@@]3(C)C[C@H]2CO3)cc1B(O)O	2223651575	CTQQMUPQGPUXNI-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
C#CCC1CCN(c2ncc(B(O)O)cn2)CC1	2223676874	GZPFQXRUASTITG-UHFFFAOYSA-N	245.091	-0.604	50	10	BBGE	
CN1CCCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223677189	KXMLNPDYQXWQGI-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
CO[C@H](C)CN1CCC(B(O)O)CC1	2241736134	AXLKHYMSHIBGKN-MRVPVSSYSA-N	201.075	-0.040	50	10	BBGE	
OB(O)c1cccnc1OCCOC(F)F	2242772109	FWTVFUMUYJPBEN-UHFFFAOYSA-N	232.979	-0.621	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1csc(B(O)O)c1	2243349783	QMUCZMDKTVLUPQ-CAHLUQPWSA-N	243.068	-0.484	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CCCN1	2243382955	STKMHRUISWRHEB-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
O=C(NC[C@@]1(F)CCOC1)C1(B(O)O)CC1	2243397853	KGZXGEKMBBQWPJ-QMMMGPOBSA-N	231.032	-0.762	50	10	BBGE	
CCCCN(O)C(=O)c1ccc(B(O)O)o1	2243398826	HMURUNSLYWUJQG-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]1C1CC1	2243399588	NXHXIGGCJBECLD-VHSXEESVSA-N	221.065	-0.303	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC(CF)C1	2243407176	MVJUYKMFVCMTLJ-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
C=CCONC(=O)c1cc(C)sc1B(O)O	2243413993	RGLJHJJABSUPDK-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
CCCN(C)C(=O)c1cc(C)c(B(O)O)o1	2243414096	TWSHYZUWBCMILW-UHFFFAOYSA-N	225.053	-0.250	50	10	BBGE	
CN(C[C@@H]1CCN1)C(=O)[C@H]1C[C@H](B(O)O)C1	2243415268	QZMFXDWBOSJGJH-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
Cn1ncc(Cl)c1NC(=O)[C@H]1C[C@@H]1B(O)O	2243419787	GQDGTPDKOZKHBA-WHFBIAKZSA-N	243.459	-0.125	50	10	BBGE	
C=CCC(C)(C)NS(=O)(=O)CC(=C)B(O)O	2243419908	IVPBYHVZZBOMHR-UHFFFAOYSA-N	247.125	-0.171	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1cc(B(O)O)cs1	2243420091	MMZUZERPUAUFKD-ZCFIWIBFSA-N	247.031	-0.435	50	10	BBGE	
C[C@H](C(=O)N(C)C)N1CCC(B(O)O)CC1	2244170804	LMBFJHMYROZNHZ-MRVPVSSYSA-N	228.101	-0.598	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)[C@@H]1CCCN1	2244507045	GGSQFZDJDQSFKO-MAUMQABQSA-N	226.085	-0.894	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247733865	DNBYNXNTKWOQFI-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
CC[C@@]1(C)OCCC[C@H]1NC(=O)C#CB(O)O	2247740454	KWBDMANGSVMDDJ-MWLCHTKSSA-N	239.080	-0.534	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C[C@@H](C1)C2	2247741534	BHLRRIXLMVDTPK-OCAPTIKFSA-N	234.064	-0.824	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)cn1CC	2247752877	XHDKHDSQJNMCBK-UHFFFAOYSA-N	240.068	-0.789	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)cn1C	2247764318	RGSQESJEHFHVEJ-MRVPVSSYSA-N	234.064	-0.989	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2247769464	IRBFEJKKYCIZQY-SFYZADRCSA-N	234.064	-0.853	50	10	BBGE	
O=C(Nc1ccc(O)nc1)[C@H]1C[C@@H](B(O)O)C1	2247785152	GQXBSNRZFDQPQL-KNVOCYPGSA-N	236.036	-0.021	50	10	BBGE	
CC(C)C1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247842171	PYQFOBNTRLUFKB-UHFFFAOYSA-N	236.080	-0.578	50	10	BBGE	
CC1(N)CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247854602	FNXQVSHMRNJQRS-VCZAYRLQSA-N	240.112	-0.375	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247869037	KVCVMCDDHCKDLF-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1CCC[C@@](F)(CO)C1)C1(B(O)O)CC1	2247869900	AETZTZGSTRRSOH-VIFPVBQESA-N	245.059	-0.684	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247887258	MGGGXSCKULMYFL-JDDHQFAOSA-N	241.096	-0.221	50	10	BBGE	
C[C@]1(CO)CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247896689	JDMMGOVXOJNWOX-ATZCPNFKSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898044	ZUUIMWCFGHRAHE-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CC(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1=O	2247898525	FGLGVPJSYLROMH-DJLDLDEBSA-N	239.080	-0.120	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C)OC[C@H]1C	2248476754	FPWCNYPZFWFTFR-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2248586569	CSNMDYCNPPSXLI-NKWVEPMBSA-N	243.068	-0.534	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1cc(B(O)O)co1	2249432960	FVEBGYBUOUIQBS-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CCC1(COc2cncc(B(O)O)c2)COC1	2250040394	BKBBGDIXNLXDJB-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@@H](C)O)C1CCC1	2250571430	XPPJEAFHXAQPKQ-MRVPVSSYSA-N	243.307	-0.611	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ccncc1B(O)O	2255450556	XRDHAFBVXZMMMK-GFCCVEGCSA-N	248.091	-0.320	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	2255462105	QHSGRIWYDKVNKZ-ONYIWYLUSA-N	247.103	-0.057	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1ncc(B(O)O)cn1	2255479408	REXUEBXWXFTSNL-VIFPVBQESA-N	249.079	-0.759	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC2CC(C2)C1	2255515820	COCJZWOYRJPPID-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
CC1(C)CC(NC(=O)c2ncccc2B(O)O)C1	2255521175	SUAWZWUAGRCIPD-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255524606	YEFZVLLXVVNOOR-NSHDSACASA-N	248.091	-0.224	50	10	BBGE	
Cc1cc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)ccn1	2255571863	SJQXVCHWYFHPHY-GHMZBOCLSA-N	248.091	-0.088	50	10	BBGE	
Nc1cncc(CNC(=O)C2CC(B(O)O)C2)c1	2255802432	YWHONFBBIZHZLU-UHFFFAOYSA-N	249.079	-0.467	50	10	BBGE	
C#CCCC(=O)N1CCc2cccc(B(O)O)c21	2256637737	YVYTULSBWJSWIR-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]21	2258144832	YPSIOGXZHJSTDJ-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2[C@H](O)C[C@H]2C1	2298166152	XABFNPXDUVVNGN-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@H]21	2298371783	VOJFPOIPSMRQGL-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@@H]2CCC(F)(F)[C@@H]21	2298374764	LSDLYHZBZOQOSP-ZKWXMUAHSA-N	243.018	-0.591	50	10	BBGE	
CO[C@@]1(CN2CC[C@@](C)(B(O)O)C2)CCOC1	2303134265	PGMIETYYWRFIRU-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
C[C@]1(F)CCN(c2cc(B(O)O)c(F)cn2)C1	2303834818	MLFKSWRYHJBRHU-JTQLQIEISA-N	242.034	-0.161	50	10	BBGE	
C[C@@H](O)CCN(C)c1cc(B(O)O)c(F)cn1	2303834850	MTLZFMGJSCZNIY-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
CO[C@H]1COCCN([C@@H](C(=O)NN)C(C)C)C1	2306798482	FTWWJMAWRAQANB-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
COc1cnc(CN2CC(=O)OC(=O)C2)nc1	2307323069	WGYNRVAPWJVJLY-UHFFFAOYSA-N	237.215	-0.629	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cc2C#N)CCOC1	2317151295	OXPNNQVNQALVEB-LBPRGKRZSA-N	246.075	-0.171	50	10	BBGE	
N#CC(=CNCCCl)C(=O)NCCC(=O)O	2324140303	YOOQFZUIHHLIMA-UHFFFAOYSA-N	245.666	-0.187	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCC(=O)OC	2324234261	PEIMEOJTSBFLAB-UHFFFAOYSA-N	225.248	-0.317	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCCl)C(N)=O	35796983	VMGHUORCUHHRBS-BYPYZUCNSA-N	221.644	-0.685	50	10	BBGE	
NCCNS(=O)(=O)CCCCl	41067073	ZSEMFLXZZDPRJA-UHFFFAOYSA-N	200.691	-0.507	50	10	BBGE	
C[C@@H](O)CCNS(=O)(=O)CCl	82998234	FNXGWJVCCHMHEQ-RXMQYKEDSA-N	201.675	-0.127	50	10	BBGE	
NNC(=O)c1cccc(Cn2cnccc2=O)c1	111403000	SSBWAJHYRFTBGS-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)NN(C)C	149121692	GPAQDTVHBAHWDP-UHFFFAOYSA-N	203.242	-0.032	50	10	BBGE	
C[C@H](Cl)C(=O)NCCC(=O)N1CCOCC1	159167334	YACRXUKTFAFLKW-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
CN(CCOc1cccc(B(O)O)c1)C1CC1	199013354	QYQQIHHRCBTJPD-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C1CC1	203186948	DLWLWOKSDXVMPK-UHFFFAOYSA-N	205.066	-0.039	50	10	BBGE	
O=C(O)c1cc2cc(B(O)O)ccc2[nH]1	206303447	WYJJZFMBXHDLHE-UHFFFAOYSA-N	204.978	-0.454	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H](C)C1	216469533	AHGBLESOJLGYGS-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1N(C)C	226121183	HRQCVCUSVGPRSX-HLTSFMKQSA-N	214.313	-0.753	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1ncnn1C	234564936	APTSKEMATFRNDX-LURJTMIESA-N	232.671	-0.315	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC[C@@H](C(N)=O)C1	235165238	IIIREOHXGGJQQB-PHDIDXHHSA-N	247.682	-0.343	50	10	BBGE	
O=Cc1cnc(C(F)(F)F)c(B(O)O)c1	238616658	PVKORXMAAMPNIN-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
OB(O)c1cc(-n2cccn2)ncc1F	238642164	NAVHIMCSNJARHG-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
O=C1[C@H](Cl)C[C@@](O)(C(=O)O)[C@H]1Cl	238677490	KIBWSQKTCBZDRW-OJIOTJFOSA-N	213.016	-0.010	50	10	BBGE	
CC[C@H]1C[C@@H]2C(=O)N(CC(=O)NN)C(=O)[C@@H]2C1	253280617	KONJHOICGAXLRI-WHUPJOBBSA-N	239.275	-0.603	50	10	BBGE	
CNNC(=O)C[C@H](N)C1CCOCC1	259148791	UMKKMQXJGJQGHW-QMMMGPOBSA-N	201.270	-0.619	50	10	BBGE	
CN(CCCO)Cc1ccc(C(=O)NN)o1	300836698	PVSLVTDMRHQMNA-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
CNC(=O)CS[C@H](C)[C@@H](C)C(=O)NN	300859325	UXWNXIOAHTYOIL-PHDIDXHHSA-N	219.310	-0.520	50	10	BBGE	
OB(O)c1c(O)c(O)cc2ccsc12	306697419	ZIBUUIIOBYWGSK-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CS(=O)(=O)N[C@@]1(CCl)CCOC1	307265759	BLOPGVRARVQQEK-ZCFIWIBFSA-N	213.686	-0.067	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@@H]2O[S@](=O)O[C@H]21	307387274	CFTBGBQASQGCLQ-HBGFWDBESA-N	228.653	-0.041	50	10	BBGE	
Nc1ccc2cc(B(O)O)sc2c1O	307416631	NWZVWNWFAQXCSR-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCNC(=O)CNC(=O)NCCCl	308497430	UPQDWYHIUIUOGA-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)c(F)c2)cn1	309591442	ZRWMBGJBTTWIFI-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
NC(=O)N1CC[C@@H](NC(=O)NC(=O)CCl)C1	393248015	VMRCEXLOUXMJCY-RXMQYKEDSA-N	248.670	-0.796	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H](O)C2)cc1	393792514	FWJIVJRWHFDMBO-NSHDSACASA-N	221.065	-0.673	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cccc(O)c1B(O)O	396017834	BDXMPPRZKWAQNR-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
C[C@H]1C[C@H](N(C)Cc2cccc(B(O)O)c2)CO1	401476879	SBPIGHNGFYUTRJ-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(F)(F)[C@H](CO)C1	403238410	OVPYZDJQSCQUMD-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CN(C)CC(=O)Nc1ccc(F)c(B(O)O)c1	404951887	SNXOUSBROGCPPG-UHFFFAOYSA-N	240.043	-0.994	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1ncc(B(O)O)s1	405069022	YLGWBADZQGSIFL-YFKPBYRVSA-N	240.093	-0.193	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[S@](C)=O	405094939	WUDQJNVSTAZNQV-HNNXBMFYSA-N	227.094	-0.908	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](CN(C)C)C1	405123374	JTKOXKYTUGHUES-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H]1COCC[C@@H]1NCc1ccccc1B(O)O	585037822	KZYCUAVJDDNYCH-GWCFXTLKSA-N	249.119	-0.119	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)NN)C1	687218774	LVSJSFMJCGAPBR-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](CO)CN(C)Cc1cc(C(=O)NN)co1	688394878	JYLXZAZGCYNEIE-QMMMGPOBSA-N	241.291	-0.057	50	10	BBGE	
O=S(=O)(CCCl)NC1CC(CO)C1	698877291	ZYCKYRYBTPZVQR-UHFFFAOYSA-N	227.713	-0.085	50	10	BBGE	
CCSC[C@@H](C)N(C)C(=O)C(=O)NN	706418972	UUNVKXYADWUQTF-ZCFIWIBFSA-N	219.310	-0.424	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2C[C@H]1CO2	718286548	LNRDUOKXQQQVPL-IUCAKERBSA-N	237.259	-0.144	50	10	BBGE	
CC1(C(=O)Nc2cc(B(O)O)ccn2)CCC1	720682124	FMKHGTJZBIYUDE-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CSC[C@H]1[N]SC(C(=O)NN)=N1	725606400	MOMLWXOWZHWYMC-GSVOUGTGSA-N	205.288	-0.670	50	10	BBGE	
Cc1nc2c(C(=O)NNC(=O)CO)ccnc2[nH]1	798114178	VSIZIHBXPFGECM-UHFFFAOYSA-N	249.230	-0.980	50	10	BBGE	
C[C@@H](CF)NC(=O)NNC(=O)[C@@H]1COCCO1	814308267	JNCZPBUVYJIYIY-BQBZGAKWSA-N	249.242	-0.910	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C[C@H]1CCNC1	831945130	NTIXFBNJYMTEIW-MRVPVSSYSA-N	228.296	-0.322	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)c1cnn[nH]1	865181917	LRMBSIZSLGGOLH-HWKANZROSA-N	227.199	-0.171	50	10	BBGE	
COc1cc(NC(=O)NNC(C)=O)n(C)n1	881245614	WLJNTOUOFDPHBB-UHFFFAOYSA-N	227.224	-0.399	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)C2CC2)C1	895462317	MINCQBJTDPHKTD-SVRRBLITSA-N	212.249	-0.031	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)[C@@H]1CCCO1	905063461	CJFLQGAJQKXCAG-XPUUQOCRSA-N	200.238	-0.031	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)C	1160726975	CFBPDOULYDYIDP-BDAKNGLRSA-N	241.291	-0.714	50	10	BBGE	
CN1CC2(C1)CN(S(=O)(=O)CCCl)C2	1253501652	ICFBWLFLDXXTFE-UHFFFAOYSA-N	238.740	-0.198	50	10	BBGE	
CCN(CCO)NC(=O)CCc1nnc(C)o1	1557200742	NTAQYRBQTYAMML-UHFFFAOYSA-N	242.279	-0.344	50	10	BBGE	
CC(=O)N(C)NC(=O)N1CCOCC1	1858081600	URANSYYNZFNIQO-UHFFFAOYSA-N	201.226	-0.579	50	10	BBGE	
C[C@@]1(O)CN(C(=O)CCl)CC[C@@H]1O	1877857073	FKULRSHERFPIIF-POYBYMJQSA-N	207.657	-0.431	50	10	BBGE	
CCn1nnnc1C[C@H](N)CBr	1881326001	CWNGNNDTSYOGPI-YFKPBYRVSA-N	234.101	-0.042	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@H]1C[C@H]1Br	1883537919	NNEJPYWMDIKZRL-NTSWFWBYSA-N	249.108	-0.780	50	10	BBGE	
CNNC(=O)[C@H]1COC2(CCC2)CO1	1888219596	NDALKRQCKAYXHK-SSDOTTSWSA-N	200.238	-0.425	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1893099754	QPIUQGVLJLTKAV-RNJXMRFFSA-N	219.716	-0.381	50	10	BBGE	
CN(NC(=O)C[C@H]1CC[C@H](N)C1)S(C)(=O)=O	1901377146	KVONLTJISNRAMI-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
CC[C@@H](C#N)S(=O)(=O)N1CC[C@@H](B(O)O)C1	1902512649	OFGSBFINSOKUHN-SFYZADRCSA-N	246.097	-0.833	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CCC(=O)N2)C1	1902513594	RVNYUOVNTHXSCJ-WCBMZHEXSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@@H]3C2)ncc1F	1903010836	UCBKMKYVWVBGBW-RNFRBKRXSA-N	222.028	-0.643	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@@H]2Cl)[C@@H]1C1CNC1	1904678434	AWVGRNAQEXXKKO-UJNFCWOMSA-N	243.738	-0.367	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CO)C[C@H]1C	1907081416	VHZJIZGKNHKZFA-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@H]2CCCOC2)O1	1908717850	AFTOSCIDXFYSSZ-AEJSXWLSSA-N	244.291	-0.281	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](C1)C2(F)F	1908921515	XIYXHTQYBRLRFR-GJMOJQLCSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)N1C[C@]2(F)CCC[C@@]2(CO)C1	1910219723	AXEKEZNWWIDSOD-DTWKUNHWSA-N	217.244	-0.244	50	10	BBGE	
CS(C)(=O)=NCc1cccc(C(=O)NN)n1	1913512700	OPWBFGXCKQKWST-UHFFFAOYSA-N	242.304	-0.087	50	10	BBGE	
CO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1C	1914345659	IUFZAGSFTKOEEM-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
COCC[S@](C)(=O)=N[C@@H](C)C(=O)NN	1918071533	GFVJKGNAQYCKTO-MDAAJZPYSA-N	223.298	-0.891	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C(C)(C)CO	1927914906	ZOOGZRPLNFCUMA-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
O=C(CCl)N1[C@H](CO)C[C@@H]2OCC[C@@H]21	1928936504	HEFLAKOKKDRBAR-FXQIFTODSA-N	219.668	-0.024	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H]1CO	1929740913	NRRXEHTUQBBMDX-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)CC(=O)NN	1929906986	ACRGUFHZIQURAF-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
COc1cc(OC)n([C@@H](C)C(=O)NN)n1	1930289757	OSHRPZASQGNUML-YFKPBYRVSA-N	214.225	-0.549	50	10	BBGE	
CC(C)(CN1C[C@](C)(O)CO1)C(=O)NN	1930290883	DIRHIBZQPRSYFW-VIFPVBQESA-N	217.269	-0.999	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC(C)(C)CO	1931080486	JIVBBGDVPXAUGX-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC12CCC2	1934428636	AOJDQSDHUVWRKV-SFYZADRCSA-N	213.281	-0.646	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C)(CO)C1	1935358128	GTFKAWHBQNQSMR-MRVPVSSYSA-N	215.297	-0.685	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CCC[C@H]1O	1935929420	ONRXEGXUTZTVSO-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
COC[C@H](COC[C@H]1C[C@@H]1C(=O)NN)OC	1936094594	OOXMRGLAQDLPJM-HLTSFMKQSA-N	232.280	-0.710	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C[C@H]1C[C@@H]1C(=O)NN	1941085707	FJMCWIWGIRVXIX-CHWFTXMASA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CCC2=O)cc1	1942999900	JPIYHRJKNKEYMW-UHFFFAOYSA-N	233.271	-0.049	50	10	BBGE	
C[C@@]1(CO)COCCN1C(=O)CCl	1953963363	GMOPYXXHRYNBGG-MRVPVSSYSA-N	207.657	-0.165	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@H]2C[C@@H]2CCl)N1	1955100517	SLXQJFCJNBSITA-PRJMDXOYSA-N	238.740	-0.105	50	10	BBGE	
O=C(CCl)N1CC[C@@H](C(CO)CO)C1	1956806195	WHLLHWCULWNOKS-SSDOTTSWSA-N	221.684	-0.326	50	10	BBGE	
CN(C(=O)NN)[C@H]1CCCCNC1=O	1956861420	IXLFLXPFEYOFDD-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@@H]2CNC[C@@H]21	1957253065	IZOBQQYBJVERJV-XHNCKOQMSA-N	215.684	-0.210	50	10	BBGE	
O=CN1CCN(C2CN(C(=O)Cl)C2)CC1	1959480997	RQPMREZTBZEJRE-UHFFFAOYSA-N	231.683	-0.197	50	10	BBGE	
O=C(NCB(O)O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	1961395117	ABKRREXVCTXJBG-PBXRRBTRSA-N	218.996	-0.594	50	10	BBGE	
C[C@H](CCl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1961459950	GCHHPSQNQHBDQX-RITPCOANSA-N	232.667	-0.265	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961508248	IALFJZJOHVCVKD-RYPBNFRJSA-N	213.281	-0.526	50	10	BBGE	
O=C(O)CCCC(=O)N1CCC(B(O)O)CC1	1964501817	ZPIVMIYLDZZXJS-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
OB(O)c1ccn(C2CC(C3CC3)C2)n1	1974989996	XSAMXONDPMOFBI-UHFFFAOYSA-N	206.054	-0.076	50	10	BBGE	
CC1(C)[C@H](O)[C@@H]2CCN(CC(=O)NN)[C@H]21	1975090258	ZIYHTINQQHNAHN-FTLITQJKSA-N	213.281	-0.933	50	10	BBGE	
CNC(=O)C1(N=c2[nH]nc(CCCl)o2)CC1	1976525556	DSDPGCXEUPJUMH-UHFFFAOYSA-N	244.682	-0.037	50	10	BBGE	
CCC(F)(F)C(=O)N[C@@H](CB(O)O)C(=O)O	1976979185	IVKJAJFECZFSFK-BYPYZUCNSA-N	238.983	-0.926	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1976993263	YZCPNRLYKZVDRF-PHDIDXHHSA-N	229.041	-0.925	50	10	BBGE	
COC[C@H]1CCOCCN1CCC(=O)NN	1977065832	LQSQMWPDMWXFQN-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC[C@@H](O)CN(CC)CC1(C(=O)NN)CC1	1977878229	JBHXWDHABZTMAY-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CON([C@@H](C)CCC(=O)NN)[C@@H]1CCOC1	1978750914	QVNDWBXJDFQGAR-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@@](=O)[C@H](C)C1	1981188076	NMYLMFVQXURVNR-ABFUHYCJSA-N	247.364	-0.402	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C)C2)c1B(O)O	1981445548	KQZSZMYMYRSCOH-SSDOTTSWSA-N	221.069	-0.689	50	10	BBGE	
CCON(CC)c1nc(C)ncc1B(O)O	1981471798	KYATWLWPZVIBBS-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)COC2	1983764936	CEWWCLPIGXELOI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)N1CC(C[C@@H](F)C(=O)O)C1	1984109981	NVVDZKALTLZGLH-SSDOTTSWSA-N	233.243	-0.083	50	10	BBGE	
COC[C@@H]1CCN(C[C@H](C)C(=O)NN)C1=O	1990100585	SRKKNCMEKHNATO-YUMQZZPRSA-N	229.280	-0.893	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(F)(F)CC1	1990774607	LDJWTXDWSDTZQI-UHFFFAOYSA-N	235.234	-0.115	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cc[nH]n1	1991326370	GDLQEDDQBNVQBS-SSDOTTSWSA-N	221.025	-0.760	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1991700110	NQCRZSCWSVHROM-OOYCVUBHSA-N	245.706	-0.044	50	10	BBGE	
C=C(CN1C[C@@H](N(C)C)CC1(C)C)B(O)O	1992159905	QDLVELFGKRFZOG-JTQLQIEISA-N	226.129	-0.031	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@]12CCCOC2	1992177342	ABTXLYBSNTUXGU-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CSC3COC3)(C1)C2	1993884504	UYMRBJZFBLTKFY-MGCOHNPYSA-N	244.316	-0.343	50	10	BBGE	
COC1(CN(C)[C@H](C)C(=O)NN)CCOCC1	2001495318	UOKGANDEMHBMBA-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CC(OCCCC(=O)NN)C[C@@H]1OC	2001615216	WPWQCXJUUHHJEK-UWVGGRQHSA-N	246.307	-0.035	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@H]1C2	2004918619	NSLJTWMAFGCWKY-IUCAKERBSA-N	233.080	-0.465	50	10	BBGE	
C[C@H](CN(C)c1ncc(B(O)O)cn1)C1CC1	2004919070	UFNSESAKQWRHRY-MRVPVSSYSA-N	235.096	-0.361	50	10	BBGE	
CCOC[C@@H](C)Oc1ncc(B(O)O)cc1F	2004929382	KKQKWNJDRRFDOM-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncc(B(O)O)cc2F)CO1	2004935760	PUOKHQUVXUHZQT-XPUUQOCRSA-N	241.027	-0.543	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]2(F)CCC[C@]2(CO)C1	2007743609	KJWWKFZNCPFHOD-IEBDPFPHSA-N	245.298	-0.449	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(=O)NC[C@H]1C(C)C	2010569249	LIMLFWXHUYATBQ-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012639492	KVKRXMUIQLREBX-JGPRNRPPSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCC(=O)N(C)C	2014824911	OKWMMIRWBMBZSL-SNVBAGLBSA-N	244.339	-0.589	50	10	BBGE	
Cc1cn(-c2ncc(F)cc2B(O)O)c(C)n1	2014932072	JFQIESPABYSJNO-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2019179149	NMYXAHMRVDWGDG-YSBPJYLOSA-N	237.303	-0.260	50	10	BBGE	
N#CC1CN(C(=O)Nc2cccc(B(O)O)c2)C1	2046350674	SDGCTANPBIOEAE-UHFFFAOYSA-N	245.047	-0.646	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2C[C@H]1CO2	2052624135	DFKKSPGAQOZBHQ-QWRGUYRKSA-N	248.091	-0.563	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2Cc1ccccc1B(O)O	2067431380	USJAXEWBWUQDMR-TXEJJXNPSA-N	246.119	-0.745	50	10	BBGE	
COc1cc(C(=O)NCC#CB(O)O)ccc1C	2077492398	MPNBBZVNQZFRIG-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
CC1(CONC(=O)c2ccccc2B(O)O)CC1	2079008565	LCJCRNOYIWTXOS-UHFFFAOYSA-N	249.075	-0.172	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2210731783	SSZNUOANYFACCL-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
CCN1CC[C@@H](OCC(F)(F)C(=O)NN)C1	2212259990	GELHWXWZKXZABJ-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCSC2)c1F	2212605114	YBNBUVLOFYIEER-LURJTMIESA-N	242.084	-0.182	50	10	BBGE	
CC[C@H](N)CNc1nccc(B(O)O)c1F	2212605982	MOPFNSCPMUIPMC-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
CS[C@H](C)CCN=c1ncc(B(O)O)c[nH]1	2212610851	PZRLSUYOJOYERZ-SSDOTTSWSA-N	241.125	-0.868	50	10	BBGE	
C[C@H](Oc1ccc(CC(N)=O)cc1)C(=O)NN	2213216489	OCLLVDDFYHXBCG-ZETCQYMHSA-N	237.259	-0.528	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2213351097	BNPUASWUJKHLHO-BFLSOPEQSA-N	241.335	-0.010	50	10	BBGE	
N#CCC1CN(Cc2cccc(B(O)O)c2)C1	2214597484	WKQRCPKDTDBXKC-UHFFFAOYSA-N	230.076	-0.288	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1cccc(B(O)O)n1	2214997209	WXXHDMCPFMQALU-SFYZADRCSA-N	234.064	-0.254	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	2215200458	ZDLJZNONJQHWNI-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CNCC1(COc2ccc(B(O)O)cn2)CC1	2217174814	ZATFBROVURWNKP-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
CC(C)(CCO)CNc1cc(B(O)O)ccn1	2217174977	BHSFNAWQYPCWFZ-UHFFFAOYSA-N	238.096	-0.418	50	10	BBGE	
C[C@@](CO)(Nc1ncccc1B(O)O)C1CC1	2217179819	OSTSCQVOIKRNGP-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)C(C)(C)CN	2217182890	HPCACQZQVWALKS-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
CCN(C[C@H](C)N)c1cc(B(O)O)c(C)cn1	2217184908	XFJHLRPIVQLQJF-VIFPVBQESA-N	237.112	-0.757	50	10	BBGE	
CC[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)CO1	2217197151	KLKOWMCEKQPEIR-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H](O)C2CC2)c1	2217203914	BXABBHJGUULNOD-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@H]2C[C@H](F)C2)c1	2217204197	GQIBIJFBTNEUDM-CZMCAQCFSA-N	238.071	-0.267	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@H]1CN	2223632893	PJICIDYKVJGTBJ-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
Cc1nc(C)c(CNc2ncccc2B(O)O)[nH]1	2223632992	QJOKAEOGIAHLHB-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
OB(O)c1cccnc1OC1C[C@@H]2CNC[C@H]2C1	2223650811	RCVFWGLZQPLYFZ-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3C[C@H]2CN3)nc1	2223668818	BQLFYTYYVOKKPR-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2COC3(CCC3)C2)nc1	2223672891	VFXZKXQLVUILOH-VIFPVBQESA-N	249.079	-0.720	50	10	BBGE	
C[C@@H](OC[C@]12C[C@H](CO1)C2)C(=O)NN	2242207905	SMOHYGXMJJFOBC-BHNWBGBOSA-N	200.238	-0.440	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1COC1	2242807422	LIZSAHXPXILNTM-UHFFFAOYSA-N	223.037	-0.905	50	10	BBGE	
COC[C@@H](C)NC(=O)c1csc(B(O)O)c1	2243349371	KGNANTNBGBOJBR-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243364009	PRWDTBRHNSLKLC-ZETCQYMHSA-N	226.085	-0.750	50	10	BBGE	
CNCC(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243392109	RHGNLEZBVFXVEW-YUMQZZPRSA-N	228.101	-0.789	50	10	BBGE	
C[C@H]1CCN(C(=O)C#CB(O)O)C[C@@H](C)O1	2243399464	MKFHVAZNWACGGN-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1CNCCN(C(=O)C2(B(O)O)CC2)C1	2243408027	FQQQDDUBHWOPRD-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
COCC[S@](C)(=O)=NC(=O)C1(B(O)O)CC1	2243411003	MANVHGSNOJMKQM-INIZCTEOSA-N	249.097	-0.736	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@@H]1C[C@@H]1C)B(O)O	2243412357	LJGDKFFAWZWFDJ-NBEYISGCSA-N	247.125	-0.482	50	10	BBGE	
N[C@H]1CCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243414205	VSMCRSYSTAMLNL-PEBLOWIWSA-N	226.085	-0.765	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cocc1B(O)O	2244215981	HEWGVNZKMBQNNI-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(CCF)C1	2247735928	QDTZSQFNSYXSBO-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)[C@@H]1C[C@H]1C	2247738490	QZEVMBPRXAEBBP-BKPPORCPSA-N	236.080	-0.531	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@@H]21	2247751105	SQVVNDVISQZUGH-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CN(CCOC1CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787252	MOVXHWNVZPDCMM-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790098	FQBGBICISNTCJZ-OPRDCNLKSA-N	242.128	-0.271	50	10	BBGE	
C[C@H](CCO)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247793457	XUGVPYNVPVKGBL-LPEHRKFASA-N	243.112	-0.236	50	10	BBGE	
NC1[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247798672	WEOGLBRPRGQGCF-JBDRJPRFSA-N	238.096	-0.955	50	10	BBGE	
C[C@H](CCCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805623	BVJRPOPRXXUPII-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
CCC1(CNC(=O)C2CC(B(O)O)C2)CNC1	2247805801	LDPWPMAYYSENDD-UHFFFAOYSA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)C1CC(B(O)O)C1	2247806637	OAMPFCQIFNFHJD-SPGGCIFMSA-N	238.096	-0.894	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)C2CC(B(O)O)C2)C1	2247854634	GJGQUBXSFIEYBL-AMUVOQDHSA-N	241.096	-0.387	50	10	BBGE	
CC(C)CNC(=O)c1ccc(F)cc1B(O)O	2247856686	MDTHHBMUHRCMHP-UHFFFAOYSA-N	239.055	-0.109	50	10	BBGE	
C[C@@H](CF)NC(=O)c1cccc(B(O)O)c1F	2247868878	YSVGXEIQERLVNG-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)o1	2247869099	LXNHNIOHHCTVLB-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CC1(NC(=O)c2ncc(B(O)O)cc2F)CC1	2247878495	KTAKDOGDYHHSAZ-UHFFFAOYSA-N	238.027	-0.817	50	10	BBGE	
CC[C@@](C)(CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898504	FCFVAZBHHAVOFK-QXEWZRGKSA-N	243.112	-0.093	50	10	BBGE	
CC(C)N(O)C(=O)Nc1ccc(B(O)O)cc1	2247970500	JPBPIDFXBMHFSU-UHFFFAOYSA-N	238.052	-0.002	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2248573583	GVMKKTJVINTMTE-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
C#CCC(=O)NCc1ccc(B(O)O)cc1F	2248965095	DHMABYKIAOOZNH-UHFFFAOYSA-N	235.023	-0.855	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cocc1B(O)O	2249415376	DBYQLOGHXNEJDU-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1cocc1B(O)O	2249416381	QTDPRYVYSKCUEG-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cocc1B(O)O	2249418002	NQRSTXJJBGYFLK-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
CC(C)C1(Oc2ncccc2B(O)O)COC1	2250816568	SQZKKDBUQAEHRL-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2251034582	YEWUXASDFURURV-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CCc1nccnc1CNC(=O)C1(B(O)O)CC1	2255482697	YTVMZFFXHATIIG-UHFFFAOYSA-N	249.079	-0.338	50	10	BBGE	
COc1ccc(C(=O)NC2CCC2)c(B(O)O)c1	2255525933	LZPRADCUTTXARH-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(CC=CC2)C1	2255718204	WAFKVGFXNPTRDD-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
N#CC1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2255726912	IKYBLFQMSXOGDY-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
O=C(Nc1ncc[nH]1)Nc1ccccc1B(O)O	2255916566	GXPSROAVPINZFW-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1O)C1(C)CC1	2255954414	YKLOHMUVLYQVBF-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
C#CCCCCC(=O)Nc1ccnc(B(O)O)c1	2256605255	JMKIVSJURRIDNS-UHFFFAOYSA-N	246.075	-0.107	50	10	BBGE	
C#CC12CC(CCN1c1ncc(B(O)O)cn1)C2	2260232825	DMKSDGLOWUHYRH-UHFFFAOYSA-N	243.075	-0.852	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)CN1	2298375278	CMQIJUFJBSLJHM-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC(F)(CO)C1	2300367132	GIDVNZACOALYDK-BDAKNGLRSA-N	245.298	-0.591	50	10	BBGE	
CO[C@@H]1CC(O[C@H](C)CC(=O)NN)C[C@H]1OC	2300920160	CZEDHABSTXCEHV-SZEHBUNVSA-N	246.307	-0.036	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H](F)C2=O)on1	2301871680	RMMZWQVMOIFZFN-LURJTMIESA-N	242.210	-0.652	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1	2303105705	QKBPGRMIDQKSBD-FWWHASMVSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CC[C@H](O)C2)ncc1F	2303834758	LIRYMWUEKZBGBF-RQJHMYQMSA-N	240.043	-0.774	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3ccoc3B(O)O)[C@@H]1C2	2312848093	LSQINROUQDUEPO-SBMIAAHKSA-N	249.075	-0.122	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C[C@@H]2CC[C@H]1C2	2312948700	ABKWZPFQZBCPFR-KXUCPTDWSA-N	248.091	-0.641	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@@H]1CC[C@H]1N	2317312532	ISKPSPOZQVRKQM-VXGBXAGGSA-N	248.091	-0.895	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349917	KVACARQBVKJEGZ-UFBFGSQYSA-N	248.091	-0.659	50	10	BBGE	
COc1ccc(CCNC(=O)C(=O)NN)cc1	36948048	UGNRSUWWILTXBX-UHFFFAOYSA-N	237.259	-0.656	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOc2ccccc21	51988340	OGGQUKXQQLVCCZ-QMMMGPOBSA-N	235.243	-0.384	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)[C@H](C)CCl	54712381	OPXQNMICZMOPGM-PHDIDXHHSA-N	223.656	-0.489	50	10	BBGE	
CCOCC(=O)NNC(=O)Nc1cn[nH]c1	66595270	ZNQAJXIDTKHFMS-UHFFFAOYSA-N	227.224	-0.401	50	10	BBGE	
NNC(=O)CCCSc1nc(N)cc(=O)[nH]1	72420666	ZMYXGVQRYFVHTI-UHFFFAOYSA-N	243.292	-0.786	50	10	BBGE	
Cc1cc(CN(C)CCO)oc1C(=O)NN	82468869	LXNXOBJTLAIKHU-UHFFFAOYSA-N	227.264	-0.384	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CCCO1	82469320	BDBWFBIROAKIDG-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CN2CCC[C@@H]2CN1CCCC(=O)NN	94468112	TZTZYBHDNFRSHD-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CN(C)NC(=O)C(C)(C)N1CCNCC1	147311747	JRTVSXLQQMQAMI-UHFFFAOYSA-N	214.313	-0.737	50	10	BBGE	
O=C(O)[C@]1(O)C=C(Cl)[C@@H](O)[C@H]1Cl	197480112	CZIFEXXXNORKKJ-KODRXGBYSA-N	213.016	-0.093	50	10	BBGE	
OB(O)c1cnn(-c2ccc(Cl)nc2)c1	203615097	MUDRBCOHWBTKBQ-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
Cn1cc(B(O)O)c(-c2nccs2)n1	203997765	DBHGGSUSHKMAJQ-UHFFFAOYSA-N	209.039	-0.777	50	10	BBGE	
C=CCN(CCO)S(=O)(=O)CCl	220189533	YPXHAESUBVBNIL-UHFFFAOYSA-N	213.686	-0.007	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC[C@@H](C(N)=O)C1	235467679	IIIREOHXGGJQQB-NTSWFWBYSA-N	247.682	-0.343	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)C[C@@H]1C	235635277	MHQQJTQLAGIWPM-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
CC1(C)Cc2c(B(O)O)ccc(O)c2O1	238254891	ANZVOSCMUCMVGI-UHFFFAOYSA-N	208.022	-0.215	50	10	BBGE	
CCOC(=O)c1ccnc(C)c1B(O)O	238269296	HPJSPURFOMSKGL-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
C[C@@H](CN1CCCO[C@H](C)C1)C(=O)NN	251549069	BDBWFBIROAKIDG-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cocn1	293895977	LMLRBHLHRARTNJ-SSDOTTSWSA-N	225.204	-0.385	50	10	BBGE	
C[C@H](Br)C(=O)N1C[C@@H](O)[C@H](O)C1	300345090	UGGICGAXWJYHPA-KVQBGUIXSA-N	238.081	-0.666	50	10	BBGE	
Nc1c(B(O)O)sc2cccc(O)c12	306709135	UQPJHERMKDOIHY-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN1C[C@@H](NS(=O)(=O)CCl)CC1=O	307705218	VFHUHHKFNDFYHR-YFKPBYRVSA-N	226.685	-0.667	50	10	BBGE	
C/C=C\CS(=O)(=O)NNC(=O)OC	308419115	ODOZZMATWNDSMD-ARJAWSKDSA-N	208.239	-0.247	50	10	BBGE	
CO[C@H]1CCN(Cc2cc(B(O)O)ccc2C)C1	313761703	QHGXBCNJVJAWOW-ZDUSSCGKSA-N	249.119	-0.104	50	10	BBGE	
COCCN(C)Cc1nc(C(=O)NN)cs1	378738895	MLMOLFGWYKJVLX-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](O)[C@@H]1C	384978055	YURGDEGJGVENBS-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CN(CCCO)Cc1nc(C(=O)NN)co1	395410963	GJOCCGKECUZNJU-UHFFFAOYSA-N	228.252	-0.908	50	10	BBGE	
CCOC(=O)CCc1ccc(B(O)O)cc1O	396061474	RMQSIONVIPUCGL-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
O=Cc1csc2c(B(O)O)cc(CO)cc12	396335971	LKPCFEYGOCMVOM-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCN(C)C(=O)Nc1cccc(B(O)O)c1	405009195	OUVREGOHXIBFCY-UHFFFAOYSA-N	222.053	-0.150	50	10	BBGE	
CSc1cc(O)cc(F)c1B(O)O	575705552	KICMMJNAQMUBSU-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
[N-]=[N+]=NCC(=O)Nc1cccc(B(O)O)c1	687762650	TXYWNKZPALZDLZ-UHFFFAOYSA-N	219.997	-0.385	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H](O)C1CC1	690156135	RENOSMQGCWCNMX-IONNQARKSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](C2CC2)C1	694829115	MACZOQNEYZELMB-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H]2C[C@@H]2C1	697514884	DHDAHARAJKGRQU-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
Cc1cn(Cc2cc(B(O)O)ccc2C)c(O)n1	699569663	OAGGKAPZXNUYPT-UHFFFAOYSA-N	246.075	-0.066	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(N)=O	700860642	XYAXNPPNWPDESM-RNJXMRFFSA-N	228.296	-0.053	50	10	BBGE	
O=C(/C=C\c1ccc2c(c1)CCO2)NCB(O)O	701954204	BPFLNNAVYRBTEJ-RQOWECAXSA-N	247.059	-0.237	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCCCS1	702017544	OFDADAYOGWENEP-LURJTMIESA-N	203.072	-0.600	50	10	BBGE	
O=C1CC[C@H](NC(=O)OCCl)C(=O)N1	703057857	DJSNLRNBQFHNOZ-BYPYZUCNSA-N	220.612	-0.286	50	10	BBGE	
CNNC(=O)[C@@H](CCSC)NC(N)=O	704671437	WZCFICHDQVLINP-RXMQYKEDSA-N	220.298	-0.973	50	10	BBGE	
CNNC(=O)Cn1nnc(-c2cccs2)n1	704676996	ZRVLTMCLKFIGOE-UHFFFAOYSA-N	238.276	-0.348	50	10	BBGE	
O=C(C1CC1)N1Cc2ccc(B(O)O)cc2C1	707939652	BDJLCXDRSRFIMN-UHFFFAOYSA-N	231.060	-0.381	50	10	BBGE	
C[C@H](O)[C@H](O)CNS(=O)(=O)CCCCl	717373655	ADFUGIDZHCSBGC-NKWVEPMBSA-N	245.728	-0.724	50	10	BBGE	
OB(O)c1cc(F)cc(OCC[C@H]2CO2)c1	718544738	TZHSQDTWKJQXBE-VIFPVBQESA-N	226.012	-0.327	50	10	BBGE	
CNC(=O)NN=C1CCC[C@H]1S(C)(=O)=O	741461548	JWDYOONRISDQPL-SSDOTTSWSA-N	233.293	-0.132	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(O)ccc1OC	780459112	ISNYFAWMKAYPQM-UHFFFAOYSA-N	239.231	-0.025	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NN(C)[C@@H](C)CO	823907693	OQPXUXDZAZSHKW-WCBMZHEXSA-N	243.307	-0.659	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1cnn(C)c1	1126317483	LENNYDKCYPJANB-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)c1ccc(=O)n(C)c1	1179627995	CDDAFWUUOAVNPB-SSDOTTSWSA-N	248.242	-0.694	50	10	BBGE	
CN(NC(=O)CCNC(N)=O)c1ccccn1	1329543976	HRPXKYSTKJETDH-UHFFFAOYSA-N	237.263	-0.393	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C(=O)OC)on1	1344740090	LDYDRPNDKGJUKU-UHFFFAOYSA-N	242.191	-0.965	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cc1	1467290213	JXKJBUJBAHZIGL-UHFFFAOYSA-N	219.049	-0.376	50	10	BBGE	
CN(NC(=O)CC(N)=O)C(=O)OC(C)(C)C	1642287967	WSQQFUZHWLMGPC-UHFFFAOYSA-N	231.252	-0.240	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccc(C#N)cn2)n1	1651593301	HZKMNIROAIQYMW-UHFFFAOYSA-N	244.218	-0.766	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]1CF	1877326847	FDQZZTDVHSVEAL-NKWVEPMBSA-N	201.006	-0.724	50	10	BBGE	
CNNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C	1880071935	ITKDRVKBSMVYBA-ZETCQYMHSA-N	247.295	-0.487	50	10	BBGE	
OC[C@@H]1C=CCN1C[C@@H](O)CBr	1880567163	HYUUYRGKOQZDAB-YUMQZZPRSA-N	236.109	-0.025	50	10	BBGE	
NNC(=O)C(F)(F)CCSCCO	1882116970	CFAZCSSPRQKHOD-UHFFFAOYSA-N	214.237	-0.273	50	10	BBGE	
NC(=O)C1(NC(=O)[C@H]2C[C@@H]2Br)CC1	1883537803	MBVIRDGFRHEJJH-WHFBIAKZSA-N	247.092	-0.096	50	10	BBGE	
Cl[C@H]1C[C@H]1CNCCn1cnnn1	1883567496	PKHDOXUNYLKWPX-BQBZGAKWSA-N	201.661	-0.110	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CSC	1888561364	BQPQQXRDMNZEAW-UHFFFAOYSA-N	226.323	-0.338	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@H]2Br)[nH]c1=N	1892898907	WLQFVBQDDCOPII-CRCLSJGQSA-N	246.112	-0.155	50	10	BBGE	
C[C@@H](CN(C)C)N(C)[C@H](C)C(=O)NN	1893428492	AGGWNRKINQQUHZ-JGVFFNPUSA-N	202.302	-0.753	50	10	BBGE	
O=C1NC2(CO1)CN(C(=O)CBr)C2	1893451190	HXYUVYGPZQNDCA-UHFFFAOYSA-N	249.064	-0.298	50	10	BBGE	
CO[C@H]1CC(=O)N([C@@H](C)CC(=O)NN)C1	1893865048	SLTQAHNQMHOQQZ-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
C[C@@H](N)CSC[C@@H]1CCC[C@H](C(=O)NN)O1	1896929066	MQWHWGBMHWTAOF-HRDYMLBCSA-N	247.364	-0.006	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@@H]32)c(B(O)O)c1	1899253182	IYPAEEQYEBYTQD-SCZZXKLOSA-N	218.065	-0.332	50	10	BBGE	
O=C1C[C@H](CN2CC[C@@H](B(O)O)C2)CCN1	1902545319	GNLNYYDSXJBFQK-RKDXNWHRSA-N	226.085	-0.939	50	10	BBGE	
C#C[C@@H](CC)Nc1cc(B(O)O)c(F)cn1	1903006313	RGXVRWOWLHDLGO-ZETCQYMHSA-N	222.028	-0.276	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C(C)C	1903343531	RSZIKROGLXYRCD-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
COC[C@]12C[C@](C(=O)N(C)N)(CO1)C2	1905552769	LISHOPABBLJGCO-KYZUINATSA-N	200.238	-0.486	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@H](C)CCC(=O)NN	1908891667	ZMRDFICVWAMPLK-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)S(C)(=O)=O	1913518427	RBQVQZLFCQCBIZ-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@@H]1C	1914334414	HACSOGXYMKFCJF-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC1(O)CCC1	1914571957	QFEMHHAUJRJYPM-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN(C(=O)CBr)[C@H]1CCNC1=O	1916826059	MNZKSMXABAQFNF-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
CC[C@H](SCCNCCN)C(=O)NN	1923475178	HCFZSOJRDJHZQG-ZETCQYMHSA-N	220.342	-0.964	50	10	BBGE	
C#C[C@@H](COC)NS(=O)(=O)CCl	1923867285	TYPYMTNJXJUOIW-LURJTMIESA-N	211.670	-0.250	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927918891	YQJXLRVQSADORS-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC1=O	1928992031	LOKSRMAYSPLUDI-UHFFFAOYSA-N	209.205	-0.385	50	10	BBGE	
NNC(=O)CN1CC=C(Br)CC1	1929612692	HRVXPEOAUZJEGT-UHFFFAOYSA-N	234.097	-0.039	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCCCO1	1932338396	QIDVTJHOHFHIJQ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2[C@H]3CCCC[C@H]32)c1	1937643989	OOIJDXDJKIDQFQ-URLYPYJESA-N	220.081	-0.001	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1O	1938247961	ZAYZAAAANYWRNY-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
N#Cc1ncn(C[C@H]2C[C@@H]2C(=O)NN)c1C#N	1941086123	HFBIQLVUOSKCIO-RQJHMYQMSA-N	230.231	-0.748	50	10	BBGE	
CN(Cc1ccn(C)n1)C[C@H]1C[C@@H]1C(=O)NN	1941088808	RZVNXQFSEOIFHO-SCZZXKLOSA-N	237.307	-0.522	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941089254	UZWKBXMZHAFICJ-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CCc1cc(=O)n(C[C@H]2C[C@H]2C(=O)NN)cn1	1941090053	YJVIPENONPPTHO-VXNVDRBHSA-N	236.275	-0.568	50	10	BBGE	
O=C(NNCCO)[C@@H]1OCCc2ccccc21	1944216449	WIMQTFBVPPPEBN-LLVKDONJSA-N	236.271	-0.087	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H](F)[C@H](O)C1	1944307221	HIGKTDHWNARXRR-JGVFFNPUSA-N	243.238	-0.602	50	10	BBGE	
COC[C@]1(O)CCCN([C@@H](C)C(=O)NN)CC1	1946479310	OZXJFQAHQYCLOS-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)CC12CCC2	1949821701	YAKKWZBJZHBBJL-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
O[C@H](CBr)CCc1nn[nH]n1	1952365578	RYVDLPISGWWKJD-BYPYZUCNSA-N	221.058	-0.112	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cn(CC2CC2)nn1	1953022080	RVTMYAXNEYINFL-RKDXNWHRSA-N	207.237	-0.428	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NNC(N)=S)O1	1955612634	BDRZENGLNZZYKK-PHDIDXHHSA-N	217.294	-0.192	50	10	BBGE	
O=C1CCN(C[C@H](O)CCl)CCCN1	1956252087	MMRNUXGSATUPDY-MRVPVSSYSA-N	220.700	-0.202	50	10	BBGE	
ClCc1nnnn1[C@@H]1CO[C@H]2COC[C@H]12	1958079311	KJCSWZRRFNUMSD-QYNIQEEDSA-N	230.655	-0.002	50	10	BBGE	
O=C1OC[C@@H]2CN(C[C@@H](O)CCl)CCN12	1961323230	NWOMLKJJHKMHEV-YUMQZZPRSA-N	234.683	-0.278	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CCO2)C1	1961518088	CEPYUPNBCYPWHE-MRVPVSSYSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)CCCn1ccc(O)cc1=O	1962442893	XKTZZWMFCMAIGB-UHFFFAOYSA-N	211.221	-0.676	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1CCCC1	1976980160	VAOBRQRWRUNSSZ-ZETCQYMHSA-N	229.041	-0.781	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H]2C[C@H]21	1980229961	XNPVAFRWSVJQFS-AATLWQCWSA-N	226.324	-0.611	50	10	BBGE	
Cc1cc(N2CC[C@H](C)C2)ncc1B(O)O	1981414100	NVVDZHZZTNXPGP-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2O	1981542892	GOSRQJMTKPAGHG-FLZHQEHWSA-N	227.308	-0.687	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCC[C@](O)(C(N)=O)C1	1982344371	RCYKSVFJSCSYEG-GMSGAONNSA-N	248.710	-0.157	50	10	BBGE	
CC[C@@H](C(F)F)N(C)[C@H](COC)C(=O)NN	1984220725	VREZJADFQBZLPF-NKWVEPMBSA-N	239.266	-0.033	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	1986161931	JXGOAJBCDSGNAF-AYMMMOKOSA-N	225.292	-0.081	50	10	BBGE	
C[C@@H](CN1CC(C)(C[S@](C)=O)C1)C(=O)NN	1987036769	HJOPPDGFEYTJBR-PWJLMRLQSA-N	247.364	-0.687	50	10	BBGE	
Cc1nc(C(=O)NCC#CB(O)O)c(C)o1	1992136578	ZMFYBZKCNAPOLP-UHFFFAOYSA-N	222.009	-0.963	50	10	BBGE	
COC[C@@](C)(CN1CC(=O)OC(=O)C1)OC	1992177131	XUQMTGVONUQSAV-SNVBAGLBSA-N	231.248	-0.577	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@H]2C[C@H]21	1996253845	MUZUAGBEUJLNRI-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCN1CCC[C@]2(CO)CCC[C@H]12	2000944541	PIRJCSJWOXBESJ-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cnccc1N1[C@H]2CC[C@H]1COC2	2004930828	WYJBIIWLZCNKBU-IUCAKERBSA-N	234.064	-0.871	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CO[C@H]2C[C@@H]1C2	2011811833	AFENCXXLYOSCCD-RNJXMRFFSA-N	249.261	-0.279	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	2013927133	APRAUSXKMMKLMM-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2COCC[C@H]21	2017900521	IPSZDLMMIWWPQX-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCOC1(C)C	2019213920	XFNMBYUDCKSMFV-VIFPVBQESA-N	243.307	-0.347	50	10	BBGE	
CNC(=S)C(C#N)=C(N)N1CCOCC1	2038970053	GLINEWRVFBKPBP-UHFFFAOYSA-N	226.305	-0.441	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]2(N)CC[C@@H]3C[C@@H]32)CC1	2046942113	WRARMEQSDBDWJV-NRUUGDAUSA-N	249.314	-0.009	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@@H]3C2=O)n1	2050246297	BQVPIBCAFBAVTD-RQJHMYQMSA-N	249.274	-0.998	50	10	BBGE	
CN(C1CC1)C1CN(c2ncccc2B(O)O)C1	2052832666	OSISEXRXJBFVMW-UHFFFAOYSA-N	247.107	-0.956	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)ncc1B(O)O	2053734335	FBLDPMDOUNTRDC-UXCLJVHYSA-N	244.103	-0.086	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(B(O)O)c1OC	2060056247	OLNXUCRZEBXLOP-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(OC)c(B(O)O)cc1C=O	2060236585	VHUQDXMVARJTEU-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCc2c[nH]nc2C1	2076081290	HKESHCYOVLRZIM-QMMMGPOBSA-N	249.079	-0.801	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2CC[C@H]21	2079008757	MIOKRSPZGATYEA-JOYOIKCWSA-N	245.087	-0.009	50	10	BBGE	
CCOCC1(C(=O)NN)CCOCC1	2210028689	FCZIPWQYXYEMMC-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
C#C[C@H](C)N(C)Cc1cccc(B(O)O)c1	2211132700	PPLWDZREMOAYSK-JTQLQIEISA-N	217.077	-0.180	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@H]1CCOC1	2212263662	WJYQLPQVVKPCSI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCOC(=O)CSc1ccc(B(O)O)cn1	2212599193	DXXPGDGOBYSFHX-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212602329	BWULKMACTNAVFC-SRSLHRDFSA-N	219.053	-0.633	50	10	BBGE	
C[C@@H]1[C@H](Nc2ccc(B(O)O)cn2)C1(F)F	2212604693	YZAOBCNMJYTPQD-XRGYYRRGSA-N	228.007	-0.173	50	10	BBGE	
CC[C@H](O)CNc1nccc(B(O)O)c1F	2212604890	UAIXXTUVNNQBKI-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
CCNCCCOc1ccc(B(O)O)cn1	2212608186	HFGDTRCDSMYISE-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
CC1CC(NC(=O)NC(=O)CCl)(C(N)=O)C1	2212652018	NQYJZIFNQJVGLA-UHFFFAOYSA-N	247.682	-0.295	50	10	BBGE	
CC(C)CCCn1cc(B(O)O)cnc1=O	2212717136	MXVHIPOVTWJKQU-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217173074	OQVOELHXVDZJSN-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cnc(N[C@@H](C(F)F)C2CC2)nc1	2217173227	PHZPUPBOWHJNNZ-SSDOTTSWSA-N	243.022	-0.388	50	10	BBGE	
C=CCC[C@@H](C)N(C)c1ncc(B(O)O)cn1	2217173760	UMOORUFDLWZZGT-SECBINFHSA-N	235.096	-0.053	50	10	BBGE	
COC[C@H]1CC[C@H]1Nc1cc(B(O)O)ccn1	2217174475	ZRBHGVYDWIWWDR-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
CC(C)C[C@H](CN)Nc1cc(B(O)O)ccn1	2217175824	NTAHBPSUCFORQQ-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
CCC[C@@](C)(CO)Nc1ncc(B(O)O)cn1	2217199093	ANCBSQNFYAVCHB-JTQLQIEISA-N	239.084	-0.881	50	10	BBGE	
CC[C@@H](CCCO)Nc1ncc(B(O)O)cn1	2217202086	USPANBQHIGYBDR-VIFPVBQESA-N	239.084	-0.881	50	10	BBGE	
N#Cc1cccn(C[C@@H]2CC[C@H]2C(=O)NN)c1=O	2221566908	LXPASEABMQKISL-VHSXEESVSA-N	246.270	-0.264	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]2O3)nc1	2223625707	FKPHYKUODJPWKL-HBNTYKKESA-N	248.091	-0.117	50	10	BBGE	
CN(C[C@H]1C[C@@H]1Cl)CC1(O)CNC1	2241931458	NJJOYHVTGYPQTH-SFYZADRCSA-N	204.701	-0.120	50	10	BBGE	
CCC1CN(C(=O)c2coc(B(O)O)c2)C1	2243346891	FJLQPOGKRPFACI-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
O=C(NCc1cnoc1)C1(B(O)O)CCC1	2243348300	WTHRXOKDERTHKE-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
O=C(C#CB(O)O)NCc1cncc(Cl)c1	2243356403	HEXZAJSYQVZVQB-UHFFFAOYSA-N	238.439	-0.633	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1sccc1B(O)O	2243377097	USWDHOYIHVXNQQ-BDINMYNLSA-N	237.089	-0.434	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H](O)CC1	2243383574	ZGTJFCMMENPWGN-HLTSFMKQSA-N	227.069	-0.777	50	10	BBGE	
O=C(C#CB(O)O)NCC1(F)CCCCC1	2243398458	FBHBPDCYSOEXST-UHFFFAOYSA-N	227.044	-0.210	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccsc1B(O)O	2243408041	FVSSXJPVJJFRJQ-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
NC(=O)C[C@@H]1CCCN1C(=O)NC(=O)CCl	2244072187	LPNOKNWQJBOFJB-LURJTMIESA-N	247.682	-0.199	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2244149142	DGEDQMNICMUWHD-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
COC[C@@H](C)CC(=O)NCCC#CB(O)O	2244547690	DRKCOSHNLFBVCL-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
CCC[C@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785263	IIFFIWHDFCYJTO-LPEHRKFASA-N	243.112	-0.236	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789760	AYUOOLSHHJPLGP-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C(=O)[C@@H]1C	2247791894	PLLOPCGCBMFPBK-UYXSQOIJSA-N	239.080	-0.120	50	10	BBGE	
O=C(NCCCNC1CC1)C1CC(B(O)O)C1	2247796634	BLTWOQMZJLVBNF-UHFFFAOYSA-N	240.112	-0.502	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247810382	XACJLXNVIQZWQH-YDYPAMBWSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2247847795	BROBNYMXVCZPOV-QCLAVDOMSA-N	237.064	-0.926	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)[C@H](CC)CO1	2247848094	HBYDRNFABBSZKM-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CO)C1(B(O)O)CCC1	2247853234	IJAVSDNOVMOEDT-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
Cc1ccc(C(=O)N[C@H](C)CF)c(B(O)O)c1	2247875398	XUTYLGYSYYLTTH-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247875624	ZMXAFCKBNJVQGI-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@H]1CO[C@@H](C2CC2)C1)C1(B(O)O)CC1	2247879313	SJTHNLBEPRAAEQ-RKDXNWHRSA-N	239.080	-0.323	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2247896221	YDSHWMGQXAZRBR-FNCVBFRFSA-N	241.096	-0.221	50	10	BBGE	
O=C(NC1(C(F)F)COC1)[C@H]1C[C@H](B(O)O)C1	2247896476	HMUBTQQJOXFPCH-IZLXSQMJSA-N	249.022	-0.610	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248587499	QFHJGHFVJJWJQO-BLOUUBGSSA-N	247.031	-0.833	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cc(B(O)O)co2)CC1	2249411838	UNNOEFDTRTYXJS-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@H]1C2	2255449985	RSNZPLAHFPIYGE-IUCAKERBSA-N	249.075	-0.108	50	10	BBGE	
COCc1ccccc1CNC(=O)C#CB(O)O	2255468636	DORXIPABKAAQER-UHFFFAOYSA-N	247.059	-0.535	50	10	BBGE	
Cc1cccnc1NC(=O)c1occc1B(O)O	2255488271	BGBIQPROJAYYNC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1cncc(B(O)O)c1	2255515996	FRZUGORKZSJKLM-DTORHVGOSA-N	248.091	-0.226	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2B(O)O)C1	2255516724	PHCIVEVUWIFYLP-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2258126936	HLBALSONWCXULB-QQRDMOCMSA-N	247.059	-0.560	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCC[C@@H]3C[C@H]23)nc1	2297867477	ICEBIJPCAZJJGX-JEZHCXPESA-N	234.064	-0.276	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2CC[C@H]2C1=O	2298165916	GDCYJODMRJMQHE-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2312856785	QHSGRIWYDKVNKZ-OQEOFVATSA-N	247.103	-0.057	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2312857143	UGYYHAFUSLZBEU-ZQNVIIHSSA-N	247.059	-0.560	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1CCOC1	2317150356	DVSIUSORPXJCTC-NSHDSACASA-N	246.075	-0.537	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)NC(=O)[C@@H](C)Cl	42576066	DPSSXESLDDXMAM-UHNVWZDZSA-N	235.671	-0.426	50	10	BBGE	
C[C@@H](CNCc1cccnc1)C(=O)NN	58853229	QMXQQEHWEQAVOY-QMMMGPOBSA-N	208.265	-0.203	50	10	BBGE	
CNC[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1	82471271	SRLUJBPMQZRTLD-NXEZZACHSA-N	228.340	-0.456	50	10	BBGE	
C[C@@H](CN1CCN(CC2CC2)CC1)C(=O)NN	110598043	MFXQULIVQHPPGK-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CC[C@@H]1N	122870144	BFMAMQYSWRCJPH-UWVGGRQHSA-N	242.323	-0.787	50	10	BBGE	
COCCOCCOCC(C)(C)C(=O)NN	125983769	ASRDAJZRSNUDGB-UHFFFAOYSA-N	234.296	-0.318	50	10	BBGE	
CCN(CC)CCOc1cncc(B(O)O)c1	203524483	GWSSBBLQMLEJFO-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
CN(C)CCOc1cc(F)ccc1B(O)O	211684219	ZBRZIOWXWXAYHY-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
Cc1cc(O[C@@H]2CCOC2)ccc1B(O)O	216059331	NAJCVVVUTGUAIK-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
C[C@@]1(O)CCCN(CC(=O)NN)CC1	230383831	DSIHZIXXXOUMQO-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
CC[S@](=O)CCNS(=O)(=O)CCCl	232301473	XDIUYXPARKGGLA-LBPRGKRZSA-N	247.769	-0.087	50	10	BBGE	
COC[C@@H](Oc1cccc(C#N)c1)C(=O)NN	232417838	NNSSKEGTQNIEHT-SNVBAGLBSA-N	235.243	-0.058	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN2CCC[C@H]2C1	251257343	VNNFEKPIEORXTC-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CN1CCCC1=O	299287975	BCKMJUOMJDWUKN-UHFFFAOYSA-N	242.279	-0.652	50	10	BBGE	
NC(=S)NNC(=O)N[C@@H]1CCSC1	306181547	PRCRBAOOKHPLLF-SCSAIBSYSA-N	220.323	-0.461	50	10	BBGE	
CCS(=O)(=O)N[C@H]1COC[C@@H]1Cl	306400372	OHMUFKCFIMNWLM-WDSKDSINSA-N	213.686	-0.068	50	10	BBGE	
CN(NC(=O)C#CBr)C(N)=O	307046707	YKIYUMRXIZYPSY-UHFFFAOYSA-N	220.026	-0.616	50	10	BBGE	
CC(=O)NNC(=O)CSC(C)(C)CO	311131404	CJFMJXRVOCPJLI-UHFFFAOYSA-N	220.294	-0.342	50	10	BBGE	
Cc1nn(C)c(N)c1C=NNC(=O)CCO	378853858	IEYNKXJUCWCLOP-UHFFFAOYSA-N	225.252	-0.857	50	10	BBGE	
CN(C)C=Nc1ccc(B(O)O)cc1C#N	380546419	IPLZMNADBFTZMZ-UHFFFAOYSA-N	217.037	-0.541	50	10	BBGE	
CCOC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	383035952	GLUNLXGZBZTLGN-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)CC1=O	395618141	SHFQAOYSFYCGCE-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
N#CCc1ccc(B(O)O)cc1CCC(=O)O	396135516	FLELOWUDFQMPFE-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
C[C@@H]1CCN(Cc2nc(C(=O)NN)co2)C1=O	399498965	AVZCLDHSVMTHBE-ZCFIWIBFSA-N	238.247	-0.354	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1ccccc1B(O)O	404978543	FTEWRXPCCVKOHZ-QMMMGPOBSA-N	237.064	-0.983	50	10	BBGE	
COCCC(=O)Nc1cc(B(O)O)ccc1C	405051094	IEXJLGFVZQUIEY-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)C#N	585006059	QLRGVLQKTZXEGI-VIFPVBQESA-N	246.075	-0.259	50	10	BBGE	
CO[C@H](C)CN(CC(=O)NN)C(C)C	688010312	HXBIZEWZUJOFCU-MRVPVSSYSA-N	203.286	-0.278	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12COC[C@H]1C2	689285208	DUEDJHDDTLFJMX-PSASIEDQSA-N	213.281	-0.665	50	10	BBGE	
CO[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	692098827	YQQCROLRHVYKIV-QMMMGPOBSA-N	212.249	-0.102	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](OC)C1CC1	692225921	ZLWPHVZBKGHRGU-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
N#Cc1ccc(F)c(Cn2ccc(B(O)O)n2)c1	694273677	ZCQKORSLLCNHAV-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C(=O)CCCl	698213184	KHLKHROSPBXGRW-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
O=C(NCB(O)O)c1cccn1C1CC1	702018377	TUQGPJXXULKFQC-UHFFFAOYSA-N	208.026	-0.435	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](N2CCC2)C1	702298876	ASISMCLNHDOIFF-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CO[C@H](C)COc1c(F)cccc1B(O)O	707076549	TWMJXRPTUBLBOG-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCCC[C@H]21	707277447	ASBAAYAIHZFRIT-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1CO	708084223	ZOYZNBRWCLTPIL-BDAKNGLRSA-N	229.324	-0.437	50	10	BBGE	
CN(C)NC(=O)[C@]12CCOC[C@H]1CNC2	715421293	KNXDRMFSGNLUIE-SCZZXKLOSA-N	213.281	-0.795	50	10	BBGE	
CC(=O)NNC(=O)CSc1nccc(O)n1	716065069	KTOGUQUWHUHQCR-UHFFFAOYSA-N	242.260	-0.558	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCS[C@@H](CCO)C1	720090556	NTPANSBAOODCFB-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	721478816	FMJMFXUMOOSYMB-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CSCN2)CC1	821981576	WLLFQBXNPXNBDC-MRVPVSSYSA-N	241.316	-0.474	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	854923049	YBRILQIUQHZIER-XLPZGREQSA-N	243.332	-0.121	50	10	BBGE	
CC[C@H](OC)C(=O)NNc1nnc(C)n1C	856049761	BSSWOWYGYFZAMJ-ZETCQYMHSA-N	227.268	-0.008	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)CCOC	908114284	DSYYFOTVHVQCOU-LGYSABEFSA-N	202.254	-0.467	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)C1CC1	1135490572	GCDXBVODAOZICI-ZETCQYMHSA-N	242.279	-0.763	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)CO)C1CCC1	1306821531	UHTUXSGTDSBCQT-ZCFIWIBFSA-N	200.238	-0.438	50	10	BBGE	
CC(=O)NNC(=O)CC1(C#N)CCOCC1	1330103022	MWMMFKSEDQLNNW-UHFFFAOYSA-N	225.248	-0.136	50	10	BBGE	
Cn1ccnc1CN1CC[C@H](B(O)O)C1	1351728055	CPQYQNNGPVELKS-QMMMGPOBSA-N	209.058	-0.531	50	10	BBGE	
C=CCCOCC(=O)NNC(=O)c1ncon1	1463142249	DEYRSWQDFPPCBU-UHFFFAOYSA-N	240.219	-0.577	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cnsn1	1471779238	PBACQUHZXLEXMV-ZCFIWIBFSA-N	244.276	-0.684	50	10	BBGE	
O=C(CNCCO)NC[C@H]1C[C@H]1Cl	1883562461	BWQJELAEDWZLFR-RNFRBKRXSA-N	206.673	-0.688	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Br)c1nn[nH]n1	1883564848	XBWRWSIWBUEDCE-DMTCNVIQSA-N	246.068	-0.287	50	10	BBGE	
O=S(=O)(CCCl)Nc1nc(O)n[nH]1	1883816681	ZRTYWIBCWMHMFV-UHFFFAOYSA-N	226.645	-0.509	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCC1(CO)CO	1891563256	NQGMIDCXPIYHLW-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
CCSCCC(=O)NCC=CB(O)O	1892925873	XCLDEWUBSJJSJY-UHFFFAOYSA-N	217.099	-0.186	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]1CN2CCC)B(O)O	1897284076	PZKVOQMAJPDRPT-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
C=C(CS(=O)(=O)NC1[C@H](C)C[C@H]1C)B(O)O	1901114416	PNSGTZCJOAGBHQ-RNFRBKRXSA-N	247.125	-0.482	50	10	BBGE	
CN1CC[C@@]2(CCCN(C(=O)NN)C2)C1=O	1901243585	XVJXPAQJACSDMV-SNVBAGLBSA-N	226.280	-0.486	50	10	BBGE	
CNC(=O)C[C@H]1CNCCN1C[C@H](Cl)C#N	1902722056	HAJUXNPGDIVUMR-BDAKNGLRSA-N	244.726	-0.473	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@@H](F)C2)c1	1904938090	XJUXCIAIVSFCHB-OTSSQURYSA-N	225.028	-0.112	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN=S1(=O)CCC1	1913869882	LBKCDEOCEIHBCC-RQJHMYQMSA-N	217.294	-0.516	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)C12CCC2	1914400057	YVGOWYPTICALTD-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1NS(=O)(=O)CCl	1922133752	OIKPGSOYEGKFJF-NKWVEPMBSA-N	242.728	-0.569	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CS2	1927914014	PUIWOMLLEUIZKC-RBXMUDONSA-N	227.333	-0.198	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1C[C@H](CCl)C1	1928698941	UFKNOIQOUDXCJL-LJGSYFOKSA-N	229.671	-0.193	50	10	BBGE	
Cc1nc([C@@H]2C(=O)NC(=O)[C@H]2Cl)nn1C	1929102175	OVNJVJJSQGTEJP-UHNVWZDZSA-N	228.639	-0.529	50	10	BBGE	
CN(C)C[C@H](CO)N1C[C@](C)(CCl)C1=O	1931734985	LRHUFZPWQMQDQW-SCZZXKLOSA-N	234.727	-0.004	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1C[C@@H]1C(=O)NN	1936095553	YGVYXNQMBMDJCW-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCn2nccc2C1	1936149456	ODSWJDCWCYUABZ-MRVPVSSYSA-N	223.280	-0.533	50	10	BBGE	
CSC[C@H]1CCN(CCOCC(=O)NN)C1	1936528267	FQKMEJKFYKZZED-VIFPVBQESA-N	247.364	-0.322	50	10	BBGE	
CN1CC[C@H](CN(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1941086472	IUPYOHBZJYSYIT-AXFHLTTASA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)COCCN1CCOCC12CCC2	1941773194	UIFAIMMHXSJEOV-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCN1C(=O)C1CC1	1944212828	CCQNPKSJEFNKIM-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C[C@H]1C	1944574547	WNTXFKMMFQUETH-SGIHWFKDSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC[C@@](C)(O)CO	1954239661	OUOALYYEWANZST-HTRCEHHLSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955242107	UFDYFXZFPYGTCX-NGJRWZKOSA-N	219.668	-0.168	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(CCC(=O)NN)C1	1957739217	OVZFEIMXJCMZGL-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
COCC1CC2(CCN2CC(=O)NN)C1	1958785341	ACGSADRBCMEAEZ-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOC(C)(C)C1	1959103542	SDGYCBUBLCGNGD-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CN1CCN(CCC(=O)NN)[C@H]2CC[C@H]21	1960962995	FEVLMZZSDYGQGD-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCC1	1961178069	NEJKUFCNBYSVEK-UHFFFAOYSA-N	209.253	-0.771	50	10	BBGE	
NNC(=O)CCN1CCOCC2(CC2)C1	1961434822	TYLMXFUGECFDSA-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
O=C1[C@H]2CCCN2CCN1C[C@@H](O)CCl	1961456522	SAXIVIIHAWCKGL-DTWKUNHWSA-N	232.711	-0.107	50	10	BBGE	
CCN(C[C@H](Cl)C#N)[C@@H]1CC(=O)NC1=O	1961457180	NXVDQXJJRWROQW-RNFRBKRXSA-N	229.667	-0.146	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C[C@H]2C)n1	1961686168	BGGORTGLVUXQLB-XRGYYRRGSA-N	208.026	-0.748	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)CC[C@@H]1CO	1979551553	PZRRWKCFHGWZHL-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H]1Cc2nncn2C1	1983008235	OJHKSBCGCVLJHM-YUMQZZPRSA-N	238.678	-0.193	50	10	BBGE	
C[C@@]1(O)CCN(CCC(F)(F)C(=O)NN)C1	1984130064	NNVLYNJZCWLHKT-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ncncc1B(O)O	1984210695	ACDJRHVTYZNVGP-YFKPBYRVSA-N	231.011	-0.754	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC1CC2(COC2)C1	1985544083	OCRODWHHZQCAHN-APPZFPTMSA-N	226.276	-0.192	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCCCC1	1988002517	YOMNABZWBRXPCC-UHFFFAOYSA-N	224.044	-0.109	50	10	BBGE	
CNC(=O)CN1CCN(C[C@H]2C[C@@H]2Cl)CC1	1991433283	PUIRFPIPASXSAS-ZJUUUORDSA-N	245.754	-0.023	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1(c2nn[nH]n2)CC1	1991705574	GRNWIYGZNSAISV-OWOJBTEDSA-N	241.638	-0.373	50	10	BBGE	
NC[C@H]1C[C@@H](CNC(=O)/C=C/C(=O)Cl)CO1	1991707340	ZGHJLRURPDIZET-PPYPBTKYSA-N	246.694	-0.212	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1992141916	AHJORVHONMJVPH-CVPUBMOQSA-N	219.049	-0.980	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cnco1	1996648029	UYWGWLMGIIGPST-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCn1ccnc1C	1997479731	RKIRBNUAOGSZOX-JTQLQIEISA-N	239.323	-0.108	50	10	BBGE	
C[C@@H]1CN(Cc2nn(C)cc2C(=O)NN)[C@@H]1C	2003506617	XGTHWVDCIRTOEW-HTQZYQBOSA-N	237.307	-0.136	50	10	BBGE	
C[C@H]1N(c2ncncc2B(O)O)CCC1(C)C	2004911741	KFMLKYBLBPAFHF-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1c1ncccc1B(O)O	2004935918	RTJIWIMITHMAPG-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
CC[C@H](OC[C@@H]1COC(C)(C)CO1)C(=O)NN	2009656733	QTHVBVOJGAHBTH-BDAKNGLRSA-N	246.307	-0.035	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)CC1(O)CCC1	2010584848	NENNWKZYGGOANF-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CC(=O)N2CCC[C@H]12	2014830642	BZZFQDKHZJBUNK-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	2016208300	UEGSSFQPNNSVRL-UJZKVOLQSA-N	245.298	-0.309	50	10	BBGE	
COC[C@H](OC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)NN	2016504954	MQUPKZUWOMSWEU-HQPKYVJOSA-N	240.303	-0.090	50	10	BBGE	
O=C(NNCCO)c1ccc(-c2nnco2)cc1	2031846775	IMWCYHHPTATVOG-UHFFFAOYSA-N	248.242	-0.037	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2CC2CCC2)nc1	2052466196	HEVKZXNAGKQUIY-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
CCc1cc(CC)n(-c2ncncc2B(O)O)n1	2052598620	SISIESJBNNJPCD-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(O)(c2ccccc2)C1	2057648992	RLRREQHRKMLZMQ-JTQLQIEISA-N	249.314	-0.042	50	10	BBGE	
O=Cc1cc(F)cc([N+](=O)[O-])c1B(O)O	2060056152	MGKBDAVNKFKJNS-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCc1c(OC)cc(B(O)O)cc1[N+](=O)[O-]	2060061189	GXRHBJLAHNQFFT-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
N#Cc1c(OC(F)F)cc(C=O)cc1B(O)O	2060265702	QNTITSOZMDJFRQ-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
C[C@]12CO[C@](COc3cncc(B(O)O)c3)(C1)C2	2073847050	WJFXSTLPDVILBK-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1B(O)O	2079010209	XXBYQNGFEYVZEK-ILWJIGKKSA-N	245.087	-0.105	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NCC#CB(O)O)O1	2210961996	FNSPQWAKDQZBDD-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
COc1cnn(C[C@H]2CC[C@H]2C(=O)NN)c1	2211839303	SEPJTNCNOBDEHI-VXNVDRBHSA-N	224.264	-0.092	50	10	BBGE	
C[C@H]1CC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2212603254	DXNYAUNZAOCNAF-DTWKUNHWSA-N	220.081	-0.359	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213881513	GCXSWIKOEOOEJV-OPRDCNLKSA-N	247.314	-0.204	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@H]1CC[C@H]1C(=O)NN	2215773003	RILQSPRQBSLFTH-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CN1CC[C@H](CNc2ncccc2B(O)O)C1	2217177567	KLZCRFFXNPAIGA-SECBINFHSA-N	235.096	-0.875	50	10	BBGE	
C=C[C@@H]1CCCCN1c1ncc(B(O)O)cn1	2217180042	QANPMRVZHVXNAA-SNVBAGLBSA-N	233.080	-0.299	50	10	BBGE	
C[C@H]1NCCC[C@H]1Oc1ccc(B(O)O)cn1	2217184169	NSRLECIIHFZDHK-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CC[C@@H](N)C(C)(C)Oc1ccc(B(O)O)cn1	2217189186	ZGFPBTLVKWINPT-SECBINFHSA-N	238.096	-0.344	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1c1ccc(B(O)O)cn1	2217197051	KCHSIXHHKGYKCY-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
C[C@@H]1C[C@H](N(C)c2cc(B(O)O)ccn2)CO1	2217200150	RAVTVZCWVSXJOS-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223638806	ZJAPWTGNMPNOJJ-WCBMZHEXSA-N	249.123	-0.328	50	10	BBGE	
Nc1ccccc1COc1ncc(B(O)O)cn1	2223660298	YHSVKQYXPUXNLV-UHFFFAOYSA-N	245.047	-0.682	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNc1cc(B(O)O)ccn1	2223671880	QUDQCUNATQIIMM-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
O=c1c(F)cncn1Cc1cccc(B(O)O)c1	2223809943	HTHFPNCUWRATPW-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CC(CO)(CO)C(=O)NC[C@H]1C[C@@H]1Cl	2241247923	XCIMGIPSBMREPN-RQJHMYQMSA-N	221.684	-0.279	50	10	BBGE	
O=C(CCl)[C@@H]1CO[C@H]2CNC[C@@H]2O1	2241258725	HBXOVWYHXJEMHK-FXQIFTODSA-N	205.641	-0.450	50	10	BBGE	
NNC(=O)C(F)(F)OCCOC(F)F	2241284335	NIUAFXHUXVTHRM-UHFFFAOYSA-N	220.122	-0.175	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC(CF)C1	2243361590	DDWVNYDBGWYOLN-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
CCON(CC)C(=O)c1ccc(B(O)O)o1	2243361621	DTQJTPLJLMKPHJ-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
C[C@@H](NC(=O)c1ncsc1B(O)O)C1CC1	2243362393	QGCFLNWBZZLHPW-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
CCC1(CNC(=O)C2(B(O)O)CC2)CNC1	2243364399	WTGWLKRTRWQOSF-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
CCOCC(C)(C)NC(=O)C1(B(O)O)CC1	2243365320	KZKMTEHIRJETNG-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
O=C(NOC1CCOCC1)[C@H]1C[C@@H]1B(O)O	2243396625	OOVFNZSOCAQSJC-YUMQZZPRSA-N	229.041	-0.924	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ncsc1B(O)O	2243397450	BKFFVXFPNCXUJI-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
COC[C@H]1CCCCN1C(=O)C#CB(O)O	2243399570	NTXPFSFGYYIOFN-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccc(B(O)O)o1	2243401842	XQEOXAOMYKCNEK-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccoc1B(O)O	2243407255	OEQBWXYKXPGCQK-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2243415275	REQIHQJBHTVFDP-XAVMHZPKSA-N	227.069	-0.731	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CCCO1	2243419863	IEWFHRCXPNSVET-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
C#CCN(CC)C(=O)c1cocc1B(O)O	2244204784	AMKGBACKOPHRBM-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C1)C2(C)O)C(=O)NN	2244343051	CFIWOJVCAIIJJG-OEJXEDHQSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ncsc2CC1	2244551186	BBFIPXVHHSUSBK-UHFFFAOYSA-N	240.288	-0.940	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@@H]2C[C@H]2C)n1	2247236422	XFWIIABGAQYHMZ-SFYZADRCSA-N	237.064	-0.195	50	10	BBGE	
CC1CCN(C(=O)c2ccc(B(O)O)o2)CC1	2247741368	YQUOCRVCADIXQR-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)N1CCC1	2247750978	QVYIZVPISAURIG-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)ccc1B(O)O	2247761382	UOXKKXZTAMHGJO-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
CN(C)CC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786596	CYOCZFQBDQPQQD-AOOOYVTPSA-N	240.112	-0.741	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2247787963	XCXVWWRMDVSERL-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
Cc1ncnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247798402	TVMASWRRRXNKJC-LJGSYFOKSA-N	236.040	-0.628	50	10	BBGE	
CCN(CCC(=O)OC)C(=O)[C@H]1C[C@@H]1B(O)O	2247798745	WVMFCUVMIWEQPF-YUMQZZPRSA-N	243.068	-0.739	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247800336	NVRSSFTWSOPRJY-ZYUZMQFOSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)[C@H]1C[C@H]1B(O)O	2247809769	RGEWFOLMHAAREX-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
O=C(C#CB(O)O)NCc1cc(C2CC2)no1	2247842077	OMIZIZXEFSXDPI-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
CC[C@@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2247846630	JUJMEXRSRQWDTB-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
CCO[C@@H]1CC[C@@H](CNC(=O)C#CB(O)O)C1	2247848243	JACOCDVGVMIYLA-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
Cn1cncc1CCNC(=O)C1(B(O)O)CC1	2247877699	IZZYLDCZULYZFD-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
CCN(CC)C1CN(C(=O)C2(B(O)O)CC2)C1	2247879461	VPNCBZNUUUMEID-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
C[C@H]1COCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247892798	IADHMHKUACCBLK-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894650	JGBXFBZFBXCULN-OTSSQURYSA-N	237.068	-0.413	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2247897337	QXSGXYCWSZUXKY-WCABBAIRSA-N	241.096	-0.218	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247897977	ZBEVXGLLOXCRQY-QEYWKRMJSA-N	238.096	-0.846	50	10	BBGE	
O=C(NCC[C@H](F)C(=O)O)C1CC(B(O)O)C1	2248586851	IHXQPGMQPRXWAW-AHXFUIDQSA-N	247.031	-0.832	50	10	BBGE	
O=C(O)CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2248587817	UXLWIQNCMVVQRT-KNVOCYPGSA-N	241.052	-0.685	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2C[C@@H]1CO	2253324995	WBFSIDBPLVLUTP-LLVKDONJSA-N	235.287	-0.605	50	10	BBGE	
CN(Cc1ccc(C#N)cc1)C(=O)C#CB(O)O	2255465592	MOQHZCOBPNWSTB-UHFFFAOYSA-N	242.043	-0.468	50	10	BBGE	
Cc1ccnc(C)c1CN(C)C(=O)C#CB(O)O	2255467314	LGIWZENCRDDJLV-UHFFFAOYSA-N	246.075	-0.328	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)CC2CC2)n1	2255486544	CBEAZJRDQVXRCF-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CC(C)C2)c1	2255499991	FTFQFTYCHNMZPG-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1OC	2255500896	NYLJJFGTYWXEOP-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1n[nH]cc1B(O)O	2255763417	LCLIRBGWLHMHCY-JIGDXULJSA-N	249.079	-0.992	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1nccnc1B(O)O	2256052018	IQEQFQYNXKNCAL-SFYZADRCSA-N	249.079	-0.925	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ncc(B(O)O)c(C)n1	2256642452	ZROYMJTUZVFPDI-ZETCQYMHSA-N	249.079	-0.384	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1cc(B(O)O)co1	2258128755	QTBFRFZCUADUEI-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1cc(B(O)O)co1	2258132925	KMTWQUTWYGJDNW-NRPADANISA-N	249.075	-0.265	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2CCC1CC2	2258135746	HJSJHNTWFYVPMW-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@H](O)[C@H]2C1	2298368857	AMJMUBAPYZHTRA-WLRJLXCNSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375065	XMYMQXUNLYTSQV-JLIMGVALSA-N	241.096	-0.674	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463145	RZRDMCMFVZTVCP-LXGUWJNJSA-N	241.052	-0.829	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)C1CC(B(O)O)C1	2299514276	GHQJBJGHURHSIL-IDKOKCKLSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H](CO)CNc1ccc(B(O)O)cc1C#N	2301341376	OKUVPNVUIVRJBC-MRVPVSSYSA-N	234.064	-0.722	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2[C@H](O)C[C@H]2C1)C(=O)NN	2303420286	SPWADTVSCHPUIX-XNDJQWLSSA-N	241.335	-0.295	50	10	BBGE	
CC[C@](C)(CN1CC(=O)NC[C@@H]1C)C(=O)NN	2303427077	VFKUWIQPQBDXQA-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)CN1	2303847729	NHMIVZPTWJWZEA-BQBZGAKWSA-N	239.059	-0.937	50	10	BBGE	
NNC(=O)c1cc(CN2C(=O)[C@@H]3C=C[C@H]2C3)on1	2308762997	RYAMBRUUTCHQHJ-RQJHMYQMSA-N	248.242	-0.435	50	10	BBGE	
Cc1nc(N(C)C2[C@H](C)C[C@H]2C)ncc1B(O)O	2316992571	BAEYTFMEEWFNQW-HTQZYQBOSA-N	249.123	-0.054	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2[C@@H](C)C[C@H]2C)c1B(O)O	2316994280	IZNCOZZIICIDLK-VROVMSAKSA-N	249.123	-0.054	50	10	BBGE	
N#CCN(CC#N)c1ccc(C=O)c(B(O)O)c1	2317351152	DGNFPOMLRKDCGV-UHFFFAOYSA-N	243.031	-0.968	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)c2ccc(N)cc2O1	19757498	VZGXECCGOFIFKT-ZETCQYMHSA-N	236.275	-0.154	50	10	BBGE	
NNC(=O)CCNC(=O)c1ccccc1F	48512787	VRTLTSPZDCBHGT-UHFFFAOYSA-N	225.223	-0.065	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(O)CC1	82465932	VVKPYNRYOALKOF-SECBINFHSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](CN1CCOC(C)(C)C1)C(=O)NN	82467999	GXXGUIRPIUJBOW-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CCN(C1CCNCC1)[C@@H](C)C(=O)NN	82470776	PRJHDEKLOOAJLW-QMMMGPOBSA-N	214.313	-0.561	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCCO)C(C)C	82470870	WVXTXQDADKAAIX-SECBINFHSA-N	217.313	-0.152	50	10	BBGE	
COCCSCCn1cc(C(=O)NN)nn1	82472387	FVCMGGKYRMICJJ-UHFFFAOYSA-N	245.308	-0.739	50	10	BBGE	
Cn1cc([N+](=O)[O-])c(=O)n(CCCl)c1=O	82614718	YQTDMUJMKLPSKA-UHFFFAOYSA-N	233.611	-0.306	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CCC(=O)NC1=O	84404807	LZUNCZIEAPKJAY-WDSKDSINSA-N	232.667	-0.217	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	114650210	KCEJVAOEGPWBMO-NTSWFWBYSA-N	232.667	-0.265	50	10	BBGE	
C[C@@]1(O)CCCN(CCCCC(=O)NN)C1	157538198	CCHJUXUSOFVZGC-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@H](O)CCl)C1=O	157829962	SEQONSXOGYYJGP-NTSWFWBYSA-N	205.641	-0.019	50	10	BBGE	
O[C@H]1[C@H](O)[C@](O)(CCl)O[C@H]1CCl	196397296	DPQRLGLZWCGBGE-FSIIMWSLSA-N	217.048	-0.727	50	10	BBGE	
CCC[C@@H](SC[C@@H](O)CO)C(=O)NN	211811979	FZVOCVIINFDXDG-NKWVEPMBSA-N	222.310	-0.769	50	10	BBGE	
COC[C@@H](CCl)NS(=O)(=O)N(C)C	229025043	FQRAWFZANGBLMD-ZCFIWIBFSA-N	230.717	-0.364	50	10	BBGE	
CN1CC[C@H](NC(=O)CBr)C1=O	230227530	AMTDJNKQFMRGNB-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
CN(C)NC(=O)c1ncccc1C#CCN	231799224	AEJNRNZVFCPWHD-UHFFFAOYSA-N	218.260	-0.402	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCCC1	232418893	LWYNBKAOMWXKRL-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@H]1CO	251348770	QEQRKHJPTWEUBO-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](CO)O[C@H](C)C1	299971872	VSXWWQGAXDUEDD-UTLUCORTSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCCO	300815440	LWEYIHSVGWTAOQ-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
OB(O)c1cc(Br)cc(F)c1O	306369273	LERPLTAZOWCTFO-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(CCl)NC[C@@H](O)[C@H]1CCOC1	308370095	KIZDUBXFGKETSF-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(CN)C1)C(=O)NN	309064166	YEJWMASNZSRBOJ-WPRPVWTQSA-N	214.313	-0.717	50	10	BBGE	
CC(C)[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	309426800	DGFNZTXXMVJOBJ-GHMZBOCLSA-N	223.081	-0.617	50	10	BBGE	
C[C@]1(CN)CCN(CCCCC(=O)NN)C1	309466187	VVQPZOLORMGPKG-LLVKDONJSA-N	228.340	-0.183	50	10	BBGE	
CC[C@@H](CO)N(C)Cc1cc(C(=O)NN)no1	393969165	JXPFMSKSWINGTQ-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
CCC(=O)c1cc(C#N)ccc1B(O)O	396106863	XPGYVYCLQMWFRL-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(CC(=O)O)c1	396135735	XTACZSABTCFUOD-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
Nc1cc(B(O)O)cc2cc(CO)sc12	396248991	NDUXKZNDMDNUHN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccc(B(O)O)cc1	584993492	VZZPNPYTMPKKBM-QMMMGPOBSA-N	239.055	-0.156	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@H]1CCO	694918514	DQUVYFUTFIPUFA-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H]1CCO	694918666	FXMWYMJCANYKRB-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCN1CC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703452501	QPQNFNOKDZQGTC-UTLUCORTSA-N	238.287	-0.003	50	10	BBGE	
CNC(=O)C[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452573	SONKQWRDOJXOPB-CSMHCCOUSA-N	240.259	-0.573	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1cc(C(=O)NN)no1	703552193	LJVYPCVLFZPRKQ-IMTBSYHQSA-N	241.247	-0.170	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(n2cccn2)C1	707306567	PQANHEMEZHUEQP-SNVBAGLBSA-N	237.307	-0.102	50	10	BBGE	
NNC(=O)CCCCN1CC(n2cccn2)C1	707400866	YJIICCDRXNRLSO-UHFFFAOYSA-N	237.307	-0.100	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@H]3C2=O)O1	715704672	ULSJQWOXKFRLFB-BGZDPUMWSA-N	239.275	-0.998	50	10	BBGE	
CNC1(C(=O)N2CCC(O)(C#N)CC2)CC1	720503337	XPXSEEBEBWWNPX-UHFFFAOYSA-N	223.276	-0.385	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2COCC[C@H]2C1	724223120	DCBTWXAUYCAHGX-XHNCKOQMSA-N	241.291	-0.702	50	10	BBGE	
CN(C[C]1CC(B(O)O)=CS1)C(N)=O	725658717	AXPQJOCMZULIJW-UHFFFAOYSA-N	215.063	-0.438	50	10	BBGE	
C[C@H]1CCC[C@@H](NC(=O)NCB(O)O)C1	725658829	DJYNEKHYFNOVGY-JGVFFNPUSA-N	214.074	-0.124	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NN(C)C(N)=O)CCN1C	798302010	LWBXKWJHXNNAOA-YUMQZZPRSA-N	228.296	-0.242	50	10	BBGE	
COC1(C(=O)NNc2ncnc3[nH]cnc23)CC1	844133954	HJRYNQHVLKUGSD-UHFFFAOYSA-N	248.246	-0.025	50	10	BBGE	
CC1(O)CC(C(=O)NNC(=O)c2cc[nH]n2)C1	855354918	NDTNACXWSFCJHX-UHFFFAOYSA-N	238.247	-0.668	50	10	BBGE	
COc1nc(C(=O)NNC(=O)C2CC2)co1	858121350	CRNRDIBDAULTFZ-UHFFFAOYSA-N	225.204	-0.146	50	10	BBGE	
CN1CCOC[C@H]1CNC=C(C#N)C#N	864348774	FPPXFCJXXFTVPI-SNVBAGLBSA-N	206.249	-0.162	50	10	BBGE	
COC(=O)N(C)NC(=O)Cn1nccc1N	1157417614	HHKVZQJKISQPSN-UHFFFAOYSA-N	227.224	-0.805	50	10	BBGE	
Cn1ncnc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1261505583	PBTZSOLBDCZBNH-HRDYMLBCSA-N	249.274	-0.167	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cnn2cccnc12	1319490037	LRIQONOFSDDZEE-UHFFFAOYSA-N	247.214	-0.648	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=Cc1ccns1	1329557150	MOFNCTOWBQOZIH-UHFFFAOYSA-N	247.301	-0.362	50	10	BBGE	
CON1CCC(C(=O)NNc2nc[nH]n2)CC1	1331667580	UZYSJKHFTNVCHV-UHFFFAOYSA-N	240.267	-0.479	50	10	BBGE	
CO[C@H](C(=O)NN(C)C[C@@H](C)O)[C@H]1CCOC1	1332629640	WFNKHXMFUMAROR-UTLUCORTSA-N	246.307	-0.618	50	10	BBGE	
Cc1nc[nH]c1CC(=O)NNc1nnc(C)n1C	1348382923	DIUGSKRTSRAYPZ-UHFFFAOYSA-N	249.278	-0.159	50	10	BBGE	
CNC(=O)NNC(=O)c1nc[nH]c2nccc1-2	1442141232	OTVMXQXZBIYCQV-UHFFFAOYSA-N	234.219	-0.517	50	10	BBGE	
CC(C)(C)n1nnc([C@H]2CC(=O)OC2=O)n1	1535717300	UPMTVIRQFMXMKH-RXMQYKEDSA-N	224.220	-0.015	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1	1588293805	IARQKRUVFMXCSJ-IYSWYEEDSA-N	219.204	-0.670	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)Cn1cnc(N)n1	1596208827	MISFPEGVZBUUPM-UHFFFAOYSA-N	240.267	-0.946	50	10	BBGE	
COC(=O)N(C)NC(=O)NC[C@@H]1CNC(=O)C1	1673643551	UVHUSKMSXYMTBJ-LURJTMIESA-N	244.251	-0.965	50	10	BBGE	
CNNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C	1880065862	ZVHGTWGRQUTKLM-SSDOTTSWSA-N	247.295	-0.630	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)CCl	1880875768	CKGOGJBAEGRZNU-HCWXCVPCSA-N	213.686	-0.129	50	10	BBGE	
C[S@](=O)(=NC(=O)F)N1CCNCC1	1882787094	ILRFNMSKSJVMIB-ZDUSSCGKSA-N	209.246	-0.006	50	10	BBGE	
N[C@@H](C[S@](=O)C[C@@H]1C[C@@H]1Cl)C(=O)O	1883567775	RCKJMPMWJXIFTD-QGDVYDOGSA-N	225.697	-0.226	50	10	BBGE	
O=C(NN1CCNCC1)[C@H]1C[C@H]1Cl	1883646112	VXERPXYFDVXXIO-NKWVEPMBSA-N	203.673	-0.450	50	10	BBGE	
NC[C@H](O)CCC(=O)NC[C@H]1C[C@@H]1Cl	1893129433	VHROFMYUSMMSLZ-PRJMDXOYSA-N	220.700	-0.170	50	10	BBGE	
N[C@@H]1[C@H]2C[C@H]1N(C(=O)/C=C/C(=O)Cl)C2	1893497174	CLPSVACYIDTKMP-NBJUTLQNSA-N	214.652	-0.134	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]2C(=O)NC(=O)[C@H]2C1	1894271826	VMYRISMBEINIKO-QYNIQEEDSA-N	244.678	-0.265	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@@H]1F	1895382493	WZIQIIYBJNMRGY-RQJHMYQMSA-N	224.000	-0.942	50	10	BBGE	
NNC(=O)N1C[C@@H]2C[C@H]1CN2CC(F)(F)F	1896349566	JBOLGGDZUHUIHI-WDSKDSINSA-N	238.213	-0.110	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]1C(F)(F)F	1897282827	BGMJHQYOEUYZQT-PHDIDXHHSA-N	234.970	-0.684	50	10	BBGE	
C[C@]1(O)CN(C[C@@H](O)CCl)CC[C@@H]1O	1901104857	KFHNWWYSYREUPO-CIUDSAMLSA-N	223.700	-0.596	50	10	BBGE	
C[C@@H]1C[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	1901243197	UDDYRIXJCUQCKP-HQJQHLMTSA-N	220.033	-0.034	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](N)CC1CC1	1901368594	OSJTWFPKKLDUEK-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
CC[C@](C)(CN1CC=C[C@@H](O)C1)C(=O)NN	1902718890	ABGYSPMCMQQNHO-MWLCHTKSSA-N	227.308	-0.375	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2C[C@H]2F)c(B(O)O)c1	1907456292	WRJQAODSXVJAOD-VXNVDRBHSA-N	237.039	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H](C2)[C@H]1CO	1907936268	PHMSIGVYZSLYNC-LADJIXMOSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](CN=S1(=O)CCCC1)C(=O)NN	1913895379	VLNBRVWIDPVAHE-SSDOTTSWSA-N	219.310	-0.126	50	10	BBGE	
O=S(=O)(NCC=CCCl)N1CC(O)C1	1914174836	BKPBUFHXJDHKJT-UHFFFAOYSA-N	240.712	-0.708	50	10	BBGE	
CN(C)NC(=O)NCC1CC(C(=O)O)C1	1916685306	GORYFMNEZMYSJH-UHFFFAOYSA-N	215.253	-0.127	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCO)CC1	1917067846	PLNJLODMHMQUBI-UHFFFAOYSA-N	216.262	-0.536	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC(C)(C)C1)C(=O)NN	1923153727	AXHNHULWQPUEHP-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927913421	JBCWPDCZXYNGNE-CIUDSAMLSA-N	208.265	-0.542	50	10	BBGE	
CCN(C[C@H]1CC[C@H](C(=O)NN)O1)OC	1928675626	SIXUKCGJDXGLTP-HTQZYQBOSA-N	217.269	-0.593	50	10	BBGE	
NNC(=O)CN1CCC2(CC1)C[C@H]2CO	1929669118	WMDLQKGUMNCBSQ-QMMMGPOBSA-N	213.281	-0.929	50	10	BBGE	
NNC(=O)CCCCN1CC(CO)C1	1929741849	FDOAYBMWALERHA-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
CN1CC(N(C)CC2(C(=O)NN)CC2)C1	1931260337	KSZZIBFHZHJREN-UHFFFAOYSA-N	212.297	-0.998	50	10	BBGE	
Cc1cc(B(O)O)sc1CN(C)[S@](C)=O	1935214011	LAMNWFJSAOVLBZ-HNNXBMFYSA-N	247.150	-0.538	50	10	BBGE	
C[C@@H]1C[C@]1(C)CN(C)CCOCC(=O)NN	1936536649	WWVXTWUPWZWAPB-MWLCHTKSSA-N	229.324	-0.029	50	10	BBGE	
CN(C)[C@@H]1CN(Cc2nnnn2C)C[C@@H]1Cl	1936883114	RSXNFUPSMDKYEZ-JGVFFNPUSA-N	244.730	-0.437	50	10	BBGE	
O=C(NNCCO)c1cccc2nccn12	1938573389	NNNCRUHSYBULBM-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(CCO3)C2)CC1	1938678161	ZLHZDNXWLGLGFZ-NSHDSACASA-N	225.292	-0.379	50	10	BBGE	
C[C@H]1OCCO[C@@H]1CN(C)CCCC(=O)NN	1940292230	UJJWFPGOUGMNRY-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)CC(=O)O1	1940622510	ZIZJHYPQYOHDIS-DADSOTLSSA-N	237.255	-0.205	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@@H](O2)C1=O	1940888885	ZOHHUIBSTLJXBN-PHDIDXHHSA-N	249.217	-0.999	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(N2CCCC2)C1	1941088112	OWEQARJBYJXNFA-MWLCHTKSSA-N	238.335	-0.608	50	10	BBGE	
CCCOc1cnn(CCOCC(=O)NN)c1	1941780781	UCVVWWDXBKOTCE-UHFFFAOYSA-N	242.279	-0.322	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1CC1(C(=O)NN)CC1	1945882767	MSOZUGNVNWBUMC-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@@H]1CCl	1954198660	ZRVJUXPCMKNTSA-PHDIDXHHSA-N	201.661	-0.081	50	10	BBGE	
CC[C@@H](O)CN(C)C[C@@H](C)C(=O)NN	1955925938	DROIKYSKZXPJMH-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
C[C@H]1CC(F)(F)CN1C(=O)C(=O)NN	1956918108	KYAFQRZLKIIZQY-BYPYZUCNSA-N	207.180	-0.768	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H]1C	1957005279	KUHJCKMEIJFHNA-BIIVOSGPSA-N	201.270	-0.669	50	10	BBGE	
CCc1nc(C(=O)NNC(N)=O)c(C)o1	1958725370	OEJWQJHHCQFFSO-UHFFFAOYSA-N	212.209	-0.141	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ncccc2C1	1977056402	CCNJZAJWBYVQDL-QMMMGPOBSA-N	220.276	-0.182	50	10	BBGE	
C[C@@H]1C[C@H]1OCc1c(C(=O)NN)cnn1C	1980592907	KUDRWPDMCYMWGW-HZGVNTEJSA-N	224.264	-0.051	50	10	BBGE	
CN(CC1(C)CC1)c1ncc(B(O)O)cn1	1981414574	TXJHFMBQMWSXEJ-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
Cc1ncnc(OCC(C)(F)F)c1B(O)O	1981419938	CWSHQJPGQYKQOM-UHFFFAOYSA-N	231.995	-0.501	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1ccnc1C	1981465367	MPSZHPBAGXKAED-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3[C@H](C2)C3(F)F)n1	1981472170	OFVDECXKXUJCFW-WHFBIAKZSA-N	246.047	-0.476	50	10	BBGE	
C/C=C/Cn1cnc2c(B(O)O)ncnc21	1983584570	ZACYINYFZOKSCF-NSCUHMNNSA-N	218.025	-0.918	50	10	BBGE	
Cc1nc(N2CC[C@@H]2CF)ncc1B(O)O	1986084933	QKFIZIUYLXGRDI-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
C[C@@H](C(=O)N[C@@H]1CCC=C1B(O)O)N(C)C	1991331318	ZMEKAUZVYSSXOS-IONNQARKSA-N	226.085	-0.847	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@H]2COC[C@@H]21	1991647944	JSMRZVUZADUWPZ-FXQIFTODSA-N	245.662	-0.474	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@@H]2COC[C@H]21	1991716440	JSMRZVUZADUWPZ-GMCWOFSTSA-N	245.662	-0.474	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1(F)CC1	1994974303	UZPZWJZHMXXZHB-UHFFFAOYSA-N	224.000	-0.798	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@H](COC)C(=O)NN	2000010440	GBLHENAWXJTQBG-NXEZZACHSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCN1CCC(n2ccnn2)CC1	2004033080	YZDXPNFJSYFTMP-UHFFFAOYSA-N	238.295	-0.705	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@@H](F)C2)c1B(O)O	2004975909	GCYYMCQHTRYBAJ-XPUUQOCRSA-N	239.059	-0.741	50	10	BBGE	
Cc1ncn(-c2ncc(B(O)O)cc2F)c1C	2004990306	GBTYWEPJNZLLOC-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(N(C)C2CC2)C1	2005180843	XCHBXDDTWDQWHB-VIFPVBQESA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cncc(C(=O)NN)c1	2011375631	WKFOGONAIQIURW-OIBJUYFYSA-N	236.275	-0.750	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)CC12CC(C(=O)NN)(CO1)C2	2023851699	BHCIBAAKQVDFHQ-UWWSSPGOSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)COCCO[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32	2026823786	BKQQBCIYYQPEMP-ZXPJBKCYSA-N	238.287	-0.480	50	10	BBGE	
Cc1cncc(Cn2cc(B(O)O)ccc2=O)c1	2058154955	ILNALDBPFHBDKS-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(B(O)O)c1F	2060091551	CSPALTNJUXHEIN-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCc1cc(C=O)c(B(O)O)cc1OC	2060164888	NRDUBPNBDBVQEA-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1B(O)O	2067550616	JOVZRBAMWBNYBW-KOLCDFICSA-N	247.103	-0.319	50	10	BBGE	
CN1CCC[C@@H](OCc2cccc(B(O)O)c2)C1	2077339529	STKUIRXIEDELAS-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3COC[C@@H]32)c1	2211072454	MFTACJTTWGMUQK-XVKPBYJWSA-N	239.105	-0.742	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)cc1Cl	2211727032	LMTNYALNJDAMSW-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
CC(C)=CCCN=c1ncc(B(O)O)c[nH]1	2212602333	BYHZLGIKRQYEPG-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
C=C(C)CCCN=c1ncc(B(O)O)c[nH]1	2212602876	KYSAOZQWJYRTLL-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
C#CCC1CN(c2cc(B(O)O)ccn2)C1	2212611214	XDHAYKRXBJHXTH-UHFFFAOYSA-N	216.049	-0.779	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCOCC12CC2	2215776587	NRIYVVBJXRPLHA-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2C[C@]2(F)C1	2216611800	FYVSRFSUXRBPSE-XVKPBYJWSA-N	237.043	-0.905	50	10	BBGE	
CCc1ccn(-c2nccc(B(O)O)c2F)n1	2217169485	HEDLSTKMNOGPFI-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@]1(C)CCOC1	2217173234	PJUJCOLAUGHBEC-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
CO[C@H]1CC[C@H]1CNc1ncccc1B(O)O	2217173912	UZVGTYNEJJZBKS-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(OCC[C@@H]2CCCN2)nc1	2217179327	JKDHXSLOOYUWET-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217179865	CGPMXYQPLYGQJZ-JGVFFNPUSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(N[C@@H](C)C[C@H](C)O)cc1B(O)O	2217179984	PUBYWYQNRZLUNV-IUCAKERBSA-N	238.096	-0.359	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217182361	COCHVOVUHLXOLT-PSASIEDQSA-N	238.096	-0.359	50	10	BBGE	
C#CCCCCCOc1ncc(B(O)O)cn1	2217188190	KXBPQFHKGJVRNZ-UHFFFAOYSA-N	234.064	-0.271	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@@H](O)CC1	2217196052	BNDYHLJDQNBSQJ-DTORHVGOSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1cccnc1NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2217201581	YVJWVQMJRAGTRY-FNCVBFRFSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H]1CNCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223629701	WNGNOHQZQMVYHP-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)[C@H]2C2CC2)c1	2223668672	ZPLXXVMTPHYQEN-ZYHUDNBSSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCNC[C@H]2CC3)nc1	2223679628	RUPOJCPBGYCGGQ-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
Cn1c(=O)cc(O)n(C(=O)CCl)c1=O	2241372902	GJYHWXFNGSDZQR-UHFFFAOYSA-N	218.596	-0.868	50	10	BBGE	
CON(C)C(=O)c1sccc1B(O)O	2241468338	LZRDXXNUFGPDQS-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)C1(B(O)O)CC1	2241473851	RBKPUBOMFIOWJX-RITPCOANSA-N	201.006	-0.532	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CO1	2243347292	KWQNYGAKJUUIIG-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
O=C(NCc1nncs1)[C@H]1C[C@@H](B(O)O)C1	2243383191	VJNAAAATDGZWNF-OLQVQODUSA-N	241.081	-0.593	50	10	BBGE	
O=C(NCCc1ccon1)[C@@H]1C[C@@H]1B(O)O	2243392790	XFGBWFGMXUONCF-SFYZADRCSA-N	224.025	-0.804	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397253	XYHXPXGILCYGCP-NRPADANISA-N	227.069	-0.777	50	10	BBGE	
O=C(C#CB(O)O)Nc1nc(C2CC2)cs1	2243401880	YMJIRDKYGAWWNE-UHFFFAOYSA-N	236.061	-0.026	50	10	BBGE	
CCN(O)C(=O)c1cccc(B(O)O)c1C	2243408382	MCYNPUALTVHNLP-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
CCCNC(=O)c1nc(CC)sc1B(O)O	2243414147	USZKSXOUMJTWHV-UHFFFAOYSA-N	242.109	-0.475	50	10	BBGE	
CN(CC1CC1)C(=O)c1sncc1B(O)O	2243415078	NXGKSJNINGFZKY-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CN(C)[S@](C)(=O)=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243426836	MPTFXPGGNXEJQK-ZVXRTZTFSA-N	248.113	-0.660	50	10	BBGE	
CCC12COC(CNC(=O)C#CB(O)O)(C1)C2	2247741608	CALHXUBPDCUWMS-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
O=C(N[C@@]12CCNC[C@@H]1C2)C1(B(O)O)CCC1	2247751331	WIBZWBMRDJZILR-GZMMTYOYSA-N	238.096	-0.748	50	10	BBGE	
O=C(c1c(F)cc(B(O)O)cc1F)N1CCC1	2247752060	HYYNOHKXIIZNSI-UHFFFAOYSA-N	241.002	-0.510	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2247769462	IRBFEJKKYCIZQY-HTQZYQBOSA-N	234.064	-0.853	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786701	FHQQEOYERYWXOE-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
C=C1CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2247789148	QRDZCYPNNUYQBN-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](C)C2)oc1B(O)O	2247801076	WSIBSNOPUPCZIT-ZETCQYMHSA-N	237.064	-0.250	50	10	BBGE	
COc1cccc(CNC(=O)C#CB(O)O)c1	2247850284	MLTZISDNNSGBCA-UHFFFAOYSA-N	233.032	-0.673	50	10	BBGE	
CN(Cc1cncnc1)C(=O)C1(B(O)O)CC1	2247853181	HKTZLCVVTDKPPH-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
CN(CCNC(=O)C1CC(B(O)O)C1)C1CC1	2247893233	OIIPCGJWLTXBCL-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
COC1(CF)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247895078	NXZLEAYWSKTIFC-OCAPTIKFSA-N	245.059	-0.564	50	10	BBGE	
CC(C)N1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247896664	IWWQUMUTIHSJHQ-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1OCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247897610	VIGLYILPQTVQRK-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CCOC(=O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898255	BSUANDWTLJHGPW-BWZBUEFSSA-N	243.068	-0.693	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)[C@H]1C[C@H]1B(O)O	2247898368	CVYCFISZIFNGLU-KXUCPTDWSA-N	240.112	-0.645	50	10	BBGE	
O=C(NCC[C@@H]1CCCCN1)[C@H]1C[C@@H]1B(O)O	2247898970	JAPRKJVQLJFZJE-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCCCCC1CNC1)[C@H]1C[C@H]1B(O)O	2247900041	SLCMGRCGBNRLII-VHSXEESVSA-N	240.112	-0.645	50	10	BBGE	
NCC1CC(F)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900051	SLZWLXQYQPOBPT-FATLICPNSA-N	244.075	-0.958	50	10	BBGE	
CC(C)CC(=O)Nc1ncc(B(O)O)cc1F	2248243922	SZRDEBPKKYXXHB-UHFFFAOYSA-N	240.043	-0.115	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248573422	DRUMIJPJQRQSHE-XAMCCFCMSA-N	243.068	-0.535	50	10	BBGE	
CC[C@@H](CNC(=O)c1cc(B(O)O)co1)OC	2249410963	PBXKHZSSZRGMCS-QMMMGPOBSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCN1	2249853115	SBKGZNGQDLYCQB-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
CCn1cnnc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2250321755	PJEIVZNWEDTLML-LJGSYFOKSA-N	238.056	-0.511	50	10	BBGE	
CCCn1cnnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2250324133	CKAUPDAQIZVPMX-RNFRBKRXSA-N	238.056	-0.511	50	10	BBGE	
C=CC(=O)NCCc1c(F)cccc1B(O)O	2251385595	CQYMJZCOTIVLPE-UHFFFAOYSA-N	237.039	-0.650	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1ccoc1B(O)O	2255464296	UOWZNKGWKMLHNW-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC[C@@H]1C=CCC1	2255496022	IMVWEJZJLXFXCY-SECBINFHSA-N	248.091	-0.599	50	10	BBGE	
COc1cc(C(=O)N2CC[C@H]2C)ccc1B(O)O	2255552550	MTBRWLVNQRZBHB-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255669542	PRGSGBRWZLPUHD-XCWAXFADSA-N	248.091	-0.531	50	10	BBGE	
CC=C1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2255730286	JZHOPKNNJBWIIK-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC2(CC2)C1	2255889067	ADSUOGQZYCTIBK-UHFFFAOYSA-N	246.075	-0.006	50	10	BBGE	
C#CC1CN(C(=O)Nc2cccc(B(O)O)c2)C1	2255889107	AKVJXRCBTATWTQ-UHFFFAOYSA-N	244.059	-0.537	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N[C@@H]1C=CCC1	2258666657	CFIBJZAWVQNCCT-MRVPVSSYSA-N	247.063	-0.399	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298369814	GMKBFNNIKKLDMS-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)[C@H]1N	2298371860	YAWOUQWUMGWVKK-IGORNWKESA-N	240.112	-0.567	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CN1)[C@@H]1C[C@H]1B(O)O	2298376028	CSKQWFQMYWKXJS-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC=CCO1	2301819961	HHUGSPIIOIOVGC-KKZNHRDASA-N	239.080	-0.299	50	10	BBGE	
CC[C@@](C)(Cn1ccc(O)nc1=O)C(=O)NN	2303434631	MQMBOSNFBVTUQH-JTQLQIEISA-N	240.263	-0.645	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(B(O)O)cc1C#N	2317167816	MDUILGXFBIFHRI-GFCCVEGCSA-N	240.071	-0.160	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)N[C@H](C)C(=O)O	2324969220	BTYHCIFPNMXOBH-SSDOTTSWSA-N	225.248	-0.019	50	10	BBGE	
CCN1C(=O)CS/C1=C(/C#N)C(N)=O	3222663	JJCKEJBTRHGDPX-YVMONPNESA-N	211.246	-0.198	50	10	BBGE	
CCCC(=O)NNC(=O)/C=C/C(=O)O	8569378	SAJYVLHFOAXEAC-SNAWJCMRSA-N	200.194	-0.425	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cnsn1	48892281	DAVYRWHRKFHITH-ZCFIWIBFSA-N	242.260	-0.522	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCN(C)C	82544092	XIZNQRGOCFSVFC-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
NNC(=O)CCCN(CC(N)=O)C1CCCC1	104111907	JVCQQSUGPOFQAJ-UHFFFAOYSA-N	242.323	-0.514	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)NC(=O)CCl	135314146	KRBMNZGCGGMFPR-BYPYZUCNSA-N	221.644	-0.685	50	10	BBGE	
CCOC(=O)/C(C#N)=C/NCc1ncnn1C	174587112	DMYVVNAZOLHBLH-VMPITWQZSA-N	235.247	-0.125	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCOC2)cc1F	203557177	YCFYPCROXRIGBD-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
COC(=O)CS(=O)(=O)N[C@@H](C)CCl	232023746	CVCWPRPPOXDEJK-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
COC[C@@H](Oc1ccc(C#N)cc1)C(=O)NN	232417756	WULSKDRRGIQSCE-SNVBAGLBSA-N	235.243	-0.058	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSCC1	232419028	BEVXUXNRZWWXCT-ZETCQYMHSA-N	219.310	-0.960	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252883605	VHJUNSOWANGQHB-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](C(C)C)C1	299999843	XKSQKLGDYLZFJR-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@H](C)C(=O)NN	304620799	XMMVRFAMYZLTQQ-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
NNc1cccc(CBr)c1B(O)O	307012593	MOWSLQCWPPRWGP-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
Nc1cc(B(O)O)c(O)c2ccsc12	307108578	MEZIDRFCVPORNU-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@H](Cl)c1nc(N)nc(NCC(N)=O)n1	307443571	OELQWYKBLXJMJG-VKHMYHEASA-N	230.659	-0.349	50	10	BBGE	
C[C@@H](O)CN(CCO)C[C@H](O)CCl	308142264	LZHDMXNJZIYMGY-HTQZYQBOSA-N	211.689	-0.739	50	10	BBGE	
C[C@H](CN(C)C)CN1CC(=O)OC(=O)C1	308883519	FOAYCRNUGSZXMA-MRVPVSSYSA-N	214.265	-0.431	50	10	BBGE	
CC(=O)Nc1cc(B(O)O)cc([N+](=O)[O-])c1	309297376	RUTQCZIFUZMSAR-UHFFFAOYSA-N	223.981	-0.767	50	10	BBGE	
COCCSCC(=O)NNC(C)=O	379396340	FQFSFSAYJUJXOF-UHFFFAOYSA-N	206.267	-0.467	50	10	BBGE	
CSCCONC(=O)NNC(N)=O	388338767	IRCJMHYNZIBIGX-UHFFFAOYSA-N	208.243	-0.837	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	388650002	RPXIXQHXORZNKU-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)[C@H](CC)CO1	403845199	UUBMEOVALJWWIO-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)Nc2ccccc2B(O)O)O1	404958522	IHLMGVYBZVVHQY-GZMMTYOYSA-N	249.075	-0.128	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCCC1	408715927	GVVSVGIFZYEWEA-UHFFFAOYSA-N	223.280	-0.381	50	10	BBGE	
CN1CCC[C@H]1CNCc1ccc(B(O)O)cc1	585019290	IJRYBKGYJOCGQU-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
NC(=S)NNC(=O)[C@]12CCC[C@H]1OCC2	687414971	ZLSSGZCPHDBMLD-MUWHJKNJSA-N	229.305	-0.190	50	10	BBGE	
CN(C)NC(=O)[C@@H]1OCC[C@H]1C(=O)O	689987196	KHGRKNRNDFNYBC-PHDIDXHHSA-N	202.210	-0.931	50	10	BBGE	
COC[C@H](CN(C)[C@@H](C(=O)NN)C(C)C)OC	691286328	LKSREUSGKYQWIL-VHSXEESVSA-N	247.339	-0.406	50	10	BBGE	
COC(=O)[C@H](C)N1CCC(O)(C#N)CC1	692166530	FBQXGFUNGVGBHL-QMMMGPOBSA-N	212.249	-0.102	50	10	BBGE	
OB(O)c1ccn(COC2CCCCC2)n1	694311150	XEMCVHWDBJPPTA-UHFFFAOYSA-N	224.069	-0.130	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@H]1C(N)=O	695105209	XEACRXOTQZHZDU-IUCAKERBSA-N	242.323	-0.659	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)C[C@@H]1CO	698217190	WQJJNJPTUSOSSY-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
CCCO[C@H]1CCN([C@H](COC)C(=O)NN)C1	701699039	GMKYEEBHPZSTAI-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1	703809915	WNKRHRBKEYWQHW-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC12CCOCC2	707414003	KVYPFPVFLWBHIC-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
NCCCSCc1nsc(C(=O)NN)n1	724324970	RDOCZQAFVVZQNN-UHFFFAOYSA-N	247.349	-0.276	50	10	BBGE	
C[C@H]1CC(=O)N(CC(=O)NN)C[C@@H](C)O1	829144879	WMANNLHLBFQVMW-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
CC(=O)NNC(=O)C(C)(C)n1cccn1	854155859	WTTZPIDSPWFREX-UHFFFAOYSA-N	210.237	-0.215	50	10	BBGE	
CC(=NNC(=O)C(N)=O)[C@@H]1CCCCO1	863065811	JVGVAWPIQMWIAB-ZETCQYMHSA-N	213.237	-0.467	50	10	BBGE	
O=C(CN1CCOCC1)NN=Cc1ccc[nH]1	1083923373	LNGWRDGVEQLFDC-UHFFFAOYSA-N	236.275	-0.203	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@@H](O)C(C)(C)O	1136411834	AUYQUQOCXVTOMQ-SSDOTTSWSA-N	247.295	-0.751	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1	1141855077	CLPSGYHLAMIETB-ZCFIWIBFSA-N	242.235	-0.120	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)NCC1CC1	1142342904	OXTQOCASXNKKHM-SECBINFHSA-N	240.307	-0.179	50	10	BBGE	
O=C(CBr)NC1CN(C2COC2)C1	1144200251	NWNMXKACMSPXOJ-UHFFFAOYSA-N	249.108	-0.420	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1153166769	FSSBQWPNXWUSQW-VEMNSZJBSA-N	238.247	-0.584	50	10	BBGE	
C=C(C)CCNC(=O)NNC(=O)C(=O)OC	1228664987	IWPSWOCYBVSOKE-UHFFFAOYSA-N	229.236	-0.544	50	10	BBGE	
C[C@H]1COCCN1Cc1cscc1B(O)O	1231946466	SLMNAWTXQVYXLI-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccc(O)n1	1597671975	LQFMRABPOKYCQM-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
COCCN(C)NC(=O)Cc1ccon1	1640519820	GGPDMNXRYJWWQT-UHFFFAOYSA-N	213.237	-0.174	50	10	BBGE	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NN	1880030228	JTGPUGIHVOJNKW-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
O=C(CCl)N1CCn2nncc2C1	1882724880	WWSPAJYLQTVUNT-UHFFFAOYSA-N	200.629	-0.141	50	10	BBGE	
N[C@H](CCO)C(=O)NC[C@@H]1C[C@H]1Cl	1883551525	JWZOJHWLUHODLW-RRKCRQDMSA-N	206.673	-0.560	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1CNCCS1(=O)=O	1883705363	RDZGPXKZJJZDPK-WDSKDSINSA-N	225.697	-0.431	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1[C@@H](C)O	1885791118	QZJHVQHSXNMMPA-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCF)CCF	1888752003	KMIVTQUTRRKFAR-SSDOTTSWSA-N	209.240	-0.004	50	10	BBGE	
O=C(O)[C@H](CO)CNC(=O)[C@@H]1C[C@H]1Cl	1893446681	PXTFQDPYAXYPJJ-KVQBGUIXSA-N	221.640	-0.577	50	10	BBGE	
O=C(O)[C@@H](O)CCNC(=O)[C@@H]1C[C@H]1Cl	1893475450	UJYHVIVOSUORKX-PBXRRBTRSA-N	221.640	-0.435	50	10	BBGE	
CCCN([C@@H](C)CC(=O)NN)S(C)(=O)=O	1893854569	OIVASOCVYMVBGI-ZETCQYMHSA-N	237.325	-0.574	50	10	BBGE	
CN(C)NC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)O)C1	1894674945	YODPJQOLKWUPRB-ZJUUUORDSA-N	227.264	-0.031	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2C[C@@H]21	1895126279	RCPUCJKVRIDZAO-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CO[C@]2(C)C[C@H]1C2	1900611715	XGJXGEOHVHIUPU-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@H](C)C(=O)NN	1901234646	ZZZIBPLFCLMERL-QMMMGPOBSA-N	230.312	-0.978	50	10	BBGE	
CC[C@](C)(CN1CC(CCO)C1)C(=O)NN	1902716522	TYPHECGYPIPJKR-LLVKDONJSA-N	229.324	-0.293	50	10	BBGE	
COC[C@@]1(C)CCCN1CC(=O)NN	1904203077	SBZRPDOVSXNQJM-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC(F)F	1908990272	POFPETSUWLVKOM-FXQIFTODSA-N	248.277	-0.612	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	1910298649	MCCQSNRHCVGIHD-WLRJLXCNSA-N	237.303	-0.131	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)S(=O)(=O)C1CC1	1913794065	LUBMKMMLUNSCBC-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@@H](O)CCl	1913843718	RUCQFDRTNGXHQF-LURJTMIESA-N	215.702	-0.132	50	10	BBGE	
CC[S@@](C)(=O)=NC[C@@H](C)C(=O)NN	1913887582	DSFXWKBGKALHMT-CAAJLBCPSA-N	207.299	-0.270	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1(CO)CCC1	1915004835	NRVASDRAGVTIDH-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CN([C@@H]1CCNC1=O)S(=O)(=O)CCl	1916839737	RQROXJMHCLIUAB-RXMQYKEDSA-N	226.685	-0.667	50	10	BBGE	
O=CNNC(=O)c1cn(Cc2ccccc2)nn1	1923811732	HKUHRZGGVTXFPW-UHFFFAOYSA-N	245.242	-0.283	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@H]1C	1928179294	OJDIZGFOUHKURM-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
CCO[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)C1	1928233202	ZTCMACDOVZNTAI-OCAPTIKFSA-N	213.233	-0.061	50	10	BBGE	
COC[C@H](S[C@H](CO)C(C)C)C(=O)NN	1928317758	UPIZSSNEMWVZII-SFYZADRCSA-N	236.337	-0.259	50	10	BBGE	
COC[C@@H](CCl)N=c1nc[nH]n1C	1930283931	VGAWCPKCIUWQMW-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)S1	1931585688	RQHOIIDEUVYNAD-RNFRBKRXSA-N	231.321	-0.281	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1OCC(=O)NN	1932289750	HLLKUAAVKMGOMM-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
NNC(=O)CCN1CC([C@@H]2CC2(F)F)C1	1933056423	KLRDEWYBRUAINF-ZETCQYMHSA-N	219.235	-0.047	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](c2nnnn2C)C1	1935168586	BHTVELBTZCCPHP-PHDIDXHHSA-N	201.661	-0.154	50	10	BBGE	
C[C@H]1COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936091338	LXMGLGRFUZZMKA-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@@H]1C[C@@H]1C(=O)NN	1936094689	PGNQWQPFNYCQJH-GUBZILKMSA-N	227.308	-0.419	50	10	BBGE	
C[S@](=O)N1CCc2ccc(B(O)O)cc2C1	1937506774	XXLUAWLZFCFBME-INIZCTEOSA-N	239.105	-0.982	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC(F)(F)CO	1938128991	YEQFGEJONOIIRH-NKWVEPMBSA-N	239.266	-0.440	50	10	BBGE	
COC[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1938247143	PJTVXSQBMWNBRN-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1940286604	DUTLYSCFLAIMLB-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](C2CC2)CC1=O	1940887425	PQIFRNBVZNYXEN-SSDOTTSWSA-N	247.245	-0.130	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H](CO)[C@H]2C1	1944549367	WLPWGWDHJIRSLH-QHZLYTNSSA-N	241.335	-0.439	50	10	BBGE	
COC[C@]1(O)CCCN(CCC(=O)NN)CC1	1946479190	NKMNMSFJRIAFNM-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](OC)[C@H]1C	1949600977	IXYYZISFIAVMBZ-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CN(C)C1C[C@H]2COC[C@@H]2C1)C(=O)NN	1950247718	ZNQWBHLZUVMHFV-UTLUCORTSA-N	241.335	-0.031	50	10	BBGE	
CCC[C@@H](Oc1cccn(C)c1=O)C(=O)NN	1950722557	PYBNKHJZEGYARA-MRVPVSSYSA-N	239.275	-0.077	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@]12CC[C@@H]1C2	1951283425	CNKCVXOOHBCIAF-HQJQHLMTSA-N	232.048	-0.500	50	10	BBGE	
C[C@@H]([C@@]1(C)CC(=O)OC1=O)S(C)(=O)=O	1956806341	XIUWWBFDROWMOH-YLWLKBPMSA-N	220.246	-0.101	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)CC[C@H]1CO	1957739482	RAVJSEYTHMMNJP-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1961398146	BDUYKJYETDUULM-MRTMQBJTSA-N	213.281	-0.788	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(=O)NC(=O)[C@@H]1C	1962389317	DAEWFBHJQJPYNM-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
O=C(NCC1(F)CC1)c1cccc(B(O)O)c1	1965237173	WEJPWDDLYGZLBQ-UHFFFAOYSA-N	237.039	-0.402	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)o1	1972415134	SVDICUUTIJUUMY-MRVPVSSYSA-N	238.052	-0.020	50	10	BBGE	
O=C(NCC#CCCl)[C@H]1CCCS1(=O)=O	1974757753	GYYVORYZPOWTTQ-MRVPVSSYSA-N	249.719	-0.078	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@H](CCO)C1	1979207295	XYFVWQIEWVPGEG-UTLUCORTSA-N	227.308	-0.683	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CC2(CCC2)CO1	1979379551	LFNGTZUSPXJMML-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(CO)CCCC1	1980805253	ZIWVWDRSKIRNQA-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=CC[C@@H]1CO	1983178701	BHWIDOXNEKJDFF-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](F)(COC)C1	1984643819	DANUBRHXNBVOMO-WPRPVWTQSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCS2(=O)=O)C1	1985356691	HRCHCZAYEMVCTA-YUMQZZPRSA-N	247.320	-0.962	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccsc1C(=O)NN	1985743545	PFIDAOABENIUNG-POYBYMJQSA-N	241.316	-0.083	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC([C@H]2NC(=O)NC2=O)C1	1986670032	RYRZERVSCDSJCW-UJURSFKZSA-N	245.666	-0.720	50	10	BBGE	
C[C@@H](COCCC(=O)NN)N1CCOCC1	1987274102	ODUPWSYOTAPHKZ-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC(C)[C@@H](COC(F)F)NC(=O)C(=O)NN	1987464480	OQNDZQFTRRHBDB-RXMQYKEDSA-N	239.222	-0.644	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@H]1F	1990776040	FHLHOMQSFKGZBS-BDAKNGLRSA-N	231.271	-0.024	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1[C@H]2OCCC[C@@H]21	1991330613	YIBUBZTULMUSIZ-HLTSFMKQSA-N	225.053	-0.904	50	10	BBGE	
CCNC(=O)C1CN(C(=O)C=CC(=O)Cl)C1	1991650705	OPRGHJRKRBQPFX-UHFFFAOYSA-N	244.678	-0.098	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1CCOC[C@@H]1F	1991729655	DTBCIKPHLGQLEH-LURQLKTLSA-N	232.255	-0.244	50	10	BBGE	
C=C(CN(C)C[C@]12CCOC[C@H]1C2)B(O)O	1992144855	FVVKXJTVTAHTQS-GHMZBOCLSA-N	225.097	-0.087	50	10	BBGE	
C=C(CN1CCN(C)C[C@H]1C(C)C)B(O)O	1992145740	ODBCLWBMBACHRN-NSHDSACASA-N	226.129	-0.173	50	10	BBGE	
CC(C)(CN1C[C@]2(CO)C[C@@]2(C)C1)C(=O)NN	2001047157	USERAYIBOOJLBG-RYUDHWBXSA-N	241.335	-0.293	50	10	BBGE	
CN(C)C[C@@H]1CN(CCCC(=O)NN)CCO1	2003923178	QVUGVGMOKOHQKA-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
Cc1nc2n(n1)CCN(CCCC(=O)NN)C2	2003931935	YHDGAUVNIXDUDA-UHFFFAOYSA-N	238.295	-0.828	50	10	BBGE	
COCCN(c1ncc(B(O)O)cn1)C(C)C	2004916769	PPCKVHLTOVGHNL-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CCCC2)n1	2005015155	WSDRLYPMHDXEMX-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ncccc1C(=O)NN	2011374272	SKHJQZJRCUOYNQ-OIBJUYFYSA-N	236.275	-0.750	50	10	BBGE	
CC(C)CN(CCOCC(=O)NN)C1COC1	2018180736	ZWWLUBSPVHODJX-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
CC[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@@H]1CO	2025432604	LVNDQHHZCHYWOI-MXWKQRLJSA-N	243.351	-0.049	50	10	BBGE	
C[C@H](CC(=O)NN)N1Cc2cc(O)nnc2C1	2025566810	DGKYCKLTHJIZEN-ZCFIWIBFSA-N	237.263	-0.734	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2052463203	SYCDEXNOSNFVKB-YFVNTRNASA-N	244.103	-0.148	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)CC1(N)CC1	2057943753	UMFRQGUGUPEIHI-UHFFFAOYSA-N	249.318	-0.052	50	10	BBGE	
CCc1c(B(O)O)ccc([N+](=O)[O-])c1OC	2060053696	GIHSQNMZXZZYSS-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCc1c(C#N)ccc(C=O)c1B(O)O	2060235144	FNQQTFIFEIWVIC-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCn1ccnc1	2064612414	XXILWOFZUDUDBD-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2C[C@@H](C1)C2	2079011858	KKBBJPBLGUUSHJ-AOOOYVTPSA-N	245.087	-0.152	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C[C@@H](F)C2)CC1	2210691956	QEFAOCXULSDVGC-HTQZYQBOSA-N	231.271	-0.839	50	10	BBGE	
CNC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2212603189	DDEABXOONOWBIA-MRVPVSSYSA-N	223.085	-0.910	50	10	BBGE	
CC1(C)OC(=O)N(CCCC(=O)NN)C1=O	2212755096	YKEJJFVDGCHPPU-UHFFFAOYSA-N	229.236	-0.486	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2214600607	VGQBDYRIZFNKTN-CABZTGNLSA-N	235.092	-0.821	50	10	BBGE	
N[C@H](CNc1ncccc1B(O)O)C(F)(F)F	2217176714	ZOTBTVWCCXZYFE-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
COC(C)(C)[C@H](C)Nc1ncccc1B(O)O	2217178317	UKTSSUDXYAAJEZ-QMMMGPOBSA-N	238.096	-0.013	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1c1ncccc1B(O)O	2217178685	AHIDZZVQJDXXPO-RKDXNWHRSA-N	235.096	-0.923	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1nccc(B(O)O)c1F	2217179833	BVBWJSKXZYNYCG-NKWVEPMBSA-N	242.034	-0.163	50	10	BBGE	
NCC1CC(Oc2nccc(B(O)O)c2F)C1	2217185780	BGAGRUZTWFCHHL-UHFFFAOYSA-N	240.043	-0.983	50	10	BBGE	
NCCCCCCOc1cc(B(O)O)ccn1	2217186252	HUTMUGSZFVIMMS-UHFFFAOYSA-N	238.096	-0.341	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCCN2)c1	2217188900	VLPTZEWLHWBTQI-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CC1(C)COC[C@@H]1Nc1ncccc1B(O)O	2217202965	NUIAMPIARLIOIJ-VIFPVBQESA-N	236.080	-0.402	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cccc(B(O)O)c1	2218450802	VJUHAVNGFHEEHG-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
C[C@]12C[C@](CNc3ncccc3B(O)O)(CO1)C2	2223638599	LXJKJMXTNZPHNG-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1ccnc(NCc2cncnc2)c1F	2223644348	IBKVSFJUUZFCSM-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
O=C(CBr)C1CN(C2CNC2)C1	2241581828	UBSOTFOGDBBELV-UHFFFAOYSA-N	233.109	-0.146	50	10	BBGE	
C[C@H](NC(=O)c1cscc1B(O)O)C(F)F	2243348948	CMJYVMKBMHPOMJ-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243362351	PRYBDFIHCWRFPG-ZETCQYMHSA-N	222.053	-0.754	50	10	BBGE	
O=C(NCCCCF)c1occc1B(O)O	2243364513	YGCHKPUAGZBNLY-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2csnc2B(O)O)C1	2243378666	XJNSIRZECVAUHD-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
C[C@H]1NCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243409282	FKRRQSDKHMZBSU-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
NCCC1CC(NC(=O)C2(B(O)O)CC2)C1	2243409979	SJNQTRCPDWDUJO-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
CCN(C[C@@H](C)N)C(=O)C1CC(B(O)O)C1	2243415824	CKCBCHFILBXDKC-AFPNSQJFSA-N	228.101	-0.565	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOC2(CC2)C1	2243426686	KIEPDSOPAJNUIE-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
C=C(CS(=O)(=O)NCCCCC#N)B(O)O	2243433739	PMWZWIAHIIJZAO-UHFFFAOYSA-N	246.097	-0.832	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cc(Cl)c[nH]1	2244555478	NYRFTDDOQBSWIO-UHFFFAOYSA-N	240.455	-0.197	50	10	BBGE	
CCCN(C[C@@H](C)O)CC1(C(=O)NN)CC1	2244881260	FEYJHPNTLGXEMV-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)CN(C)C2	2246822318	ZXNGHVODXPNMID-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC(C)C[C@@H]1CN(C(=O)C#CB(O)O)CCO1	2247747811	SMMMIAGYLHUBCM-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
CC[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCN1	2247750057	DIYBKELZKWLCJD-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
O=C(NCCCF)c1c(F)cccc1B(O)O	2247752214	KVMFYPMADRUHOH-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1B(O)O	2247752721	UWUBLSCPQNUQKY-LDWIPMOCSA-N	237.039	-0.356	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1cnn(C)c1	2247753784	CNOIDUHKDSMBRW-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
O=C(N1CC2(CC(CO)C2)C1)C1(B(O)O)CC1	2247758344	ZAHLAHYHCBTATI-UHFFFAOYSA-N	239.080	-0.776	50	10	BBGE	
C=CCN(C)C(=O)c1cc(F)ccc1B(O)O	2247759949	ZFMRBBUATVOGMW-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2247775062	GPCKEDQKMDZIGY-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)oc1B(O)O	2247788774	KWXLYRVRWVSHEN-SVRRBLITSA-N	237.064	-0.346	50	10	BBGE	
O=C(NC[C@]1(F)CCCNC1)[C@H]1C[C@H]1B(O)O	2247793479	XZKOBRAUKDASQO-XKSSXDPKSA-N	244.075	-0.943	50	10	BBGE	
CC[C@@H]1CNCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808646	VUWFHUNDFXSJIV-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C(C)(C)CN1	2247809226	YIQCJVYVKRZIIH-VGMNWLOBSA-N	240.112	-0.552	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1N	2247849175	WNIYOHQKKHZOST-UHFFFAOYSA-N	234.020	-0.769	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccoc1B(O)O	2247866054	FWBHJUMZIOAMRQ-DTWKUNHWSA-N	235.048	-0.512	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@@H](C)F	2247873157	FZMUZZPYWJXZKZ-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)C1(B(O)O)CCC1	2247878800	NJKPAAXLVFMMSZ-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
CN(CCCCCN)C(=O)[C@H]1C[C@H](B(O)O)C1	2247894926	MGVZHGVHFLXGJA-MGCOHNPYSA-N	242.128	-0.173	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCOC2)[C@H]1C[C@H](B(O)O)C1	2247897296	QIOLVPACKNQTBX-FTYOSLGDSA-N	239.080	-0.465	50	10	BBGE	
COC[C@]1(C)C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248694495	VJEPTSPXZOJTSB-YWVKMMECSA-N	239.080	-0.347	50	10	BBGE	
CC(C)n1cnnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2250325881	CPGSGPFDGWJVFI-RQJHMYQMSA-N	238.056	-0.340	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(F)(F)C2(CC2)C1	2252609104	FDJNUBDESYDTHW-ZETCQYMHSA-N	249.261	-0.278	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)C1CC(B(O)O)C1	2253141526	UKLMQUOFHJIKDW-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
CCn1nc(CN(C)C(=O)C#CB(O)O)cc1C	2255469085	KOGMNZQREIVMDN-UHFFFAOYSA-N	249.079	-0.815	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CC=CC[C@H]21	2255486245	XRWRCDLSQRMNLK-WCBMZHEXSA-N	247.059	-0.250	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ncccc2B(O)O)C1	2255516722	PHCIVEVUWIFYLP-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC(C2CC2)C1	2255520006	FARHZERNPZWLLA-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1cc(B(O)O)n[nH]1	2255554241	JYORPQVGFIBCBA-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@@H]2CCC[C@H]21	2255554729	QDFITHQHACFJGY-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NC1CCC1	2255565778	LHXFMFHKVLYERY-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1occc1B(O)O	2255738838	ZIRMBAJQJDLNDB-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
O=C(N[C@@H]1CCn2ccnc2C1)[C@@H]1C[C@@H]1B(O)O	2255773391	MCSUWWIGBQLCBI-HLTSFMKQSA-N	249.079	-0.823	50	10	BBGE	
O=C(NC1CC(n2ccnc2)C1)[C@@H]1C[C@@H]1B(O)O	2255783480	MMMNGZPCZRODIK-BMNUFHGDSA-N	249.079	-0.434	50	10	BBGE	
C#CCCCNC(=O)Nc1ccc(B(O)O)cc1	2255906796	HDAHEVNYCKDYCO-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
Cc1nc(N2C[C@H]3COC[C@H]2C3)ccc1B(O)O	2258830945	XCIJVAUTFZOMSA-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298369031	GLSJMQRVMAFHPA-FHNUBNKASA-N	239.080	-0.515	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@@H]1O	2298370941	SMJKCHCUORXHLD-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
CC[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371882	YOYFZLZWBWRPMR-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
CC[C@@]1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298375313	DXEPWUMQYALCMD-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOC1CCC1	2300889186	UDKUGYANWYALOI-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2301503178	SJMZODZKNYESNW-LALMQGGXSA-N	239.080	-0.779	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303102847	AUDDAKQBNMBFIY-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
CC(C)(C)[C@@H](CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2303380576	QCFZSPHPBZKNRC-DJLDLDEBSA-N	243.112	-0.237	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303847918	QEDGYDAFQIWSNU-OCAPTIKFSA-N	234.039	-0.276	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)C1(N)CC1	2317212093	QWKRQCPSMRTOKS-MRVPVSSYSA-N	246.075	-0.503	50	10	BBGE	
O=Cc1ccc(N2CC3(COC3)C2)cc1B(O)O	2317350421	RTTNTEXOVXHZPL-UHFFFAOYSA-N	247.059	-0.985	50	10	BBGE	
CNC(=O)CN1CCN(C(=O)[C@@H](C)Cl)CC1	37828838	ZSWOBACKURPXCU-MRVPVSSYSA-N	247.726	-0.496	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](CO)C1	82465804	IMQYHEZNPJQRHD-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
CC[C@@H]1COCCN1CCCC(=O)NN	82468014	UBRKOYVYOMQBIE-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](CNC)C1	82471264	NRJXFNHCLWHTPD-ZJUUUORDSA-N	228.340	-0.314	50	10	BBGE	
C[C@H](Sc1ncn[nH]1)[C@@H](C)C(=O)NN	86313893	WPJHEGDPKRUPJI-UHNVWZDZSA-N	215.282	-0.089	50	10	BBGE	
Cn1ccn(CCCCC(=O)NN)c1=O	87667106	RYCCJYZKHYOVPV-UHFFFAOYSA-N	212.253	-0.653	50	10	BBGE	
C[C@H](CO)N(C)Cc1ccc(C(=O)NN)cn1	123717470	ZRBHCAALSQNAQE-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C(C)(C)CO	134192844	IUKRGHFWYXFNDO-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
NNC(=O)CCN(CCO)CC(F)(F)F	231593715	DRJHNYZZNLYFNA-UHFFFAOYSA-N	229.202	-0.777	50	10	BBGE	
NC(=O)[C@H]1COCCN1c1nnc(CCl)o1	236237170	CHWBECIHWQRLRX-RXMQYKEDSA-N	246.654	-0.501	50	10	BBGE	
NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1	254484458	AJSKOLZKIUMPPG-UHFFFAOYSA-N	226.148	-0.877	50	10	BBGE	
O=C1NC(=O)[C@]2(CC[C@@H](CCCB(O)O)C2)N1	255965370	BSAXZFNLOLNTPG-GMSGAONNSA-N	240.068	-0.382	50	10	BBGE	
O[C@@]12CO[C@@H]([C@H](Cl)[C@@H]3O[C@@H]31)[C@H]1O[C@H]12	306233376	LOFKFQJINDDDOR-XVGPUFLOSA-N	204.609	-0.728	50	10	BBGE	
OB(O)c1ccc([C@H](O)C(F)F)cc1	306924022	HUPIRCFSDBNEJB-ZETCQYMHSA-N	201.965	-0.335	50	10	BBGE	
Cc1cc(B(O)O)ncc1Br	307347003	XIAYLHNRMICSHO-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
NC(=O)NCCCCNC(=O)CCl	379360899	BVQAQPGYCOZRRF-UHFFFAOYSA-N	207.661	-0.210	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@@H](COC)C(=O)NN	385903935	PLUITDMHCLUNQS-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
COCCN(C)[C@H](C(=O)NN)C(C)(C)C	395595624	QGFRJXSFGUWNQA-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
CCc1cc(=O)n(CC(C)(C)C(=O)NN)cn1	395617356	KELZJXSXHRKSJA-UHFFFAOYSA-N	238.291	-0.178	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccncn1	396608367	DRAGCZCWWCAVMI-SECBINFHSA-N	223.280	-0.323	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ccc[nH]1	404927512	ABRDFUFVIXBZCY-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
CSCC(=O)Nc1cccc(B(O)O)n1	405019009	DAVFOULJCUIPIV-UHFFFAOYSA-N	226.066	-0.937	50	10	BBGE	
CNC(=O)Nc1ccc(Cl)c(B(O)O)c1	405150712	QWWMNABLQWCTKM-UHFFFAOYSA-N	228.444	-0.229	50	10	BBGE	
OB(O)c1cccc(O[C@H]2CCCO2)c1	686728891	IWPAFRYQVMHJHD-JTQLQIEISA-N	208.022	-0.118	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN([C@H](C)C(=O)NN)C1	688958843	KMDKZDYHUWIUOV-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
Cc1cnc(COc2cncc(B(O)O)c2)cn1	693558451	MVQYPBJCJDBSNF-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)C[C@H]1CO	698216026	RUGMIJQASPCKQL-NTSWFWBYSA-N	209.629	-0.253	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)[C@@H](CO)C1	699455075	HLJWVOZFEBCQRI-RKDXNWHRSA-N	217.700	-0.274	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](N2CCC2)C1	702305341	LCKTZXBXMHTPBQ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703437023	YZVDROCQQNXUFM-FXQIFTODSA-N	240.259	-0.573	50	10	BBGE	
CCn1nnnc1SCC(C)(C)C(=O)NN	706553808	RVRCROUOSZURQZ-UHFFFAOYSA-N	244.324	-0.199	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707277613	CIIRDHLEZOKNOD-WCBMZHEXSA-N	213.281	-0.523	50	10	BBGE	
COC[C@@](C)(CCl)NCc1nnn(C)n1	716819305	JZWIMVYSMASQMZ-MRVPVSSYSA-N	233.703	-0.056	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@]12COC[C@@H]1C2	718111173	KPBCEMJSYNPNLG-XNCJUZBTSA-N	218.640	-0.160	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718260007	PCWFMRUWPUCANN-OGBGREFGSA-N	239.319	-0.136	50	10	BBGE	
C[C@]1(CO)CCCN1CCC(=O)NN	723000555	PRHKHUYLXLKYMK-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
COC[C@H](C)C=NNC(=O)C(=O)NC1CC1	755892217	MIVSNOOJCCIVDU-SSDOTTSWSA-N	227.264	-0.351	50	10	BBGE	
CC(C)[C@H](F)C(=O)NNC(=O)[C@@H]1COCCO1	784125983	QGRFVCXWNOOHNZ-YUMQZZPRSA-N	248.254	-0.457	50	10	BBGE	
CCOCC(=O)NNC(=O)N[C@@H]1CCN[C@H]1C	861700461	DTXPBHLLDMYHCZ-JGVFFNPUSA-N	244.295	-0.896	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	913014934	IHTJFCLAKZFEGX-FWMNBOHYSA-N	242.275	-0.362	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)C12CC(C1)C2	1118873990	QEPNDZYKPFPBGN-UHFFFAOYSA-N	234.259	-0.100	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ccncn1	1556681576	OFKVEFMAFNYUOJ-ZETCQYMHSA-N	226.236	-0.949	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1C(F)(F)F	1611094982	VJBLTTWOYUMEMM-QWWZWVQMSA-N	226.154	-0.676	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnn2c1CCC2	1626812814	KJWZUCSHJLKCIS-UHFFFAOYSA-N	237.263	-0.207	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H]1CCN1CC	1626982509	KQTDDKCWWKLDQX-QMMMGPOBSA-N	228.296	-0.179	50	10	BBGE	
CNc1ncccc1C(=O)NN(C)C(N)=O	1630877952	IECCRYFKSXLWDV-UHFFFAOYSA-N	223.236	-0.221	50	10	BBGE	
CN(C)CC#CCNC(=O)NNc1ncccn1	1685772393	HYCTUIGQMKEMQU-UHFFFAOYSA-N	248.290	-0.332	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)CCl	1882778446	UXZGPAXWMVFYEX-KNVOCYPGSA-N	224.713	-0.099	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)NC(=O)CCl	1882821846	CGKXNPMVNUYEOK-RFZPGFLSSA-N	206.629	-0.162	50	10	BBGE	
C[C@@H](NC(=O)C=CC(=O)Cl)C(N)=O	1883627804	ZNDPSIYRKRJZPL-SCSAIBSYSA-N	204.613	-0.702	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CP(C)(C)=O	1883764015	MLVOMUONFDHAPH-LURJTMIESA-N	207.214	-0.123	50	10	BBGE	
CO[C@H]1COC[C@H]1n1nnnc1CCl	1884865322	HBEOXENKODQTMD-RITPCOANSA-N	218.644	-0.002	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)O1	1895135198	KFJRFEMHBJXANS-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
CN(C)[C@H]1C[C@H](OC[C@@H]2C[C@H]2C(=O)NN)C1	1896135117	PKNHZBMOFUCBGU-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	1901205267	UMYXGSDRLHVHIU-ZETCQYMHSA-N	220.037	-0.969	50	10	BBGE	
CN(NC(=O)C1CC2(CCN2)C1)S(C)(=O)=O	1901374390	DHSSDRXCKYSWGA-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccccc1B(O)O	1902407766	WRAULMGNUXNTFJ-QMMMGPOBSA-N	217.033	-0.119	50	10	BBGE	
C=CCNC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	1902504910	BEFFRBDSLDJFGI-DTWKUNHWSA-N	226.085	-0.774	50	10	BBGE	
O=C1CCCN1CCN1CC[C@@H](B(O)O)C1	1902513911	UOEANNAXZCLQLU-SECBINFHSA-N	226.085	-0.843	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@H](F)C1	1904993829	GTBGPWRORCSTEW-KYZUINATSA-N	231.271	-0.166	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)[C@H](C)C1	1907073111	VVMZRNZQIXBHAA-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC(F)F	1908990271	POFPETSUWLVKOM-CSMHCCOUSA-N	248.277	-0.612	50	10	BBGE	
C[C@@H](Cn1cnc(C2CC2)cc1=O)C(=O)NN	1912237895	WOZDRKHIZWZHPZ-ZETCQYMHSA-N	236.275	-0.253	50	10	BBGE	
CC[S@@](=O)(=NC(=O)C(=O)NN)C(C)C	1913864396	YYPGQUKVVUTUNF-AWEZNQCLSA-N	221.282	-0.601	50	10	BBGE	
COC[C@H](N=[S@@](C)(=O)C(C)C)C(=O)NN	1913903161	FCANRTTVGOAZBB-ZIDLFYJRSA-N	237.325	-0.503	50	10	BBGE	
CNCCS(=O)(=O)N1CC=C(C#N)CC1	1917110046	QRXPZAPHVXCULT-UHFFFAOYSA-N	229.305	-0.309	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1931413873	UWXUNXXQVGXNFG-XAVMHZPKSA-N	213.281	-0.933	50	10	BBGE	
C[C@]1(CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1932967394	MQYLHCXIRMYRNL-QXFUBDJGSA-N	213.281	-0.931	50	10	BBGE	
COC1(CO)CN(C(=O)CBr)C1	1935351117	GBEJGRITSPKFFX-UHFFFAOYSA-N	238.081	-0.399	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936089829	FJXWERFGDGMVKK-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C[C@H]1C[C@H]1C(=O)NN	1936094528	OCEAZXMDYFBVBD-PXFOQGJISA-N	247.364	-0.689	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H](C)OC	1936531039	DDYWKSCYIDOXJE-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1C1CCOCC1	1936637908	RPNYILJLCXFKOW-MRVPVSSYSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@H](O)[C@H]2C1	1938057548	ZOPTYZQCYVZUFG-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O	1939899639	QDBOXDVWTAXFSY-BIIVOSGPSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1C(=O)N(C)C	1940305793	ZFXYCNYVPLHMNS-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CN1C[C@@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@H]2C1	1941085423	LVIWCCWUEAUMAC-LNFKQOIKSA-N	238.335	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccn(C2CC2)c1=O	1941090415	ZPKQDJOQHABZKD-IONNQARKSA-N	236.275	-0.389	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(=O)[C@H](C)C1	1941988646	KFZRSEFMFGBUIQ-HTQZYQBOSA-N	241.291	-0.689	50	10	BBGE	
Cn1ncc(CN)c1N1CCC(O)(C#N)CC1	1944939751	RPCYNZYGEZERMQ-UHFFFAOYSA-N	235.291	-0.266	50	10	BBGE	
C[S@@](=O)CC1CN(C[C@@H](O)CCl)C1	1953821188	INKWKUMRMIUAGM-ISVAXAHUSA-N	225.741	-0.104	50	10	BBGE	
COCCSc1nc(B(O)O)cs1	1954092347	CSESNODELKZOIR-UHFFFAOYSA-N	219.096	-0.439	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)CCCl	1954725698	WCMSUCHCCSTAEY-QMMMGPOBSA-N	209.673	-0.135	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1C[C@H](O)CCl	1956255793	DJZGDXNQVHTUET-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
O[C@@H]1CN(CCOCCCl)[C@H]2COC[C@@H]12	1958101412	ADKCDJJVZLSPCX-KXUCPTDWSA-N	235.711	-0.067	50	10	BBGE	
COC(=O)[C@@]1(C[C@@H](O)CCl)CNCCO1	1960143482	MYUKDEUXMQJGMB-VXNVDRBHSA-N	237.683	-0.492	50	10	BBGE	
COCCNC(=O)CN(C)C[C@H](O)CCl	1960160394	XGBHRDACHXVCDQ-MRVPVSSYSA-N	238.715	-0.720	50	10	BBGE	
NNC(=O)CCCCN1CCC12COC2	1961512261	CAWWFHQAMIQCOP-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
CC[C@@H](COC)Oc1nc(B(O)O)cs1	1961697127	UYXCPUUNPZSKTN-LURJTMIESA-N	231.082	-0.373	50	10	BBGE	
CC1(C)[C@H](O)[C@H]2CCN(CC(=O)NN)[C@H]21	1975090259	ZIYHTINQQHNAHN-NBEYISGCSA-N	213.281	-0.933	50	10	BBGE	
C=C(Cl)COc1ncc(B(O)O)c(C)n1	1975116316	SWLSCYYKZYFLTD-UHFFFAOYSA-N	228.444	-0.404	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2C[C@H](O)C2)[nH]1	1976105566	IJPKSSUYGBSVIV-IZLXSQMJSA-N	243.698	-0.577	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCc2nccn2C1	1976547160	QQPJEZQHWKKYQB-ZCFIWIBFSA-N	239.304	-0.690	50	10	BBGE	
CCO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NN	1977514762	MIOYZEGVUHEVOH-JGVFFNPUSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2COCC[C@H]21	1980815625	FYKVHPASPZGGOG-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
C[C@@]1(Oc2ccncc2B(O)O)CCOC1	1981429466	DUCUWTPDNYIYIK-SNVBAGLBSA-N	223.037	-0.681	50	10	BBGE	
Cc1cnc(N2CC(C)(C)C2)c(B(O)O)c1	1981469522	UJUYGKRGINWOAY-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
COc1cnn(CCC(F)(F)C(=O)NN)c1	1984128023	IQEWQZRNVOMTFP-UHFFFAOYSA-N	234.206	-0.093	50	10	BBGE	
C[C@H](OC[C@@H]1COC(C)(C)CO1)C(=O)NN	1984655179	LCWOZGOFWHPURX-JGVFFNPUSA-N	232.280	-0.425	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H]2CF)ns1	1986088063	ACYKODMULQGGCX-YFKPBYRVSA-N	245.283	-0.315	50	10	BBGE	
NNC(=O)N1CC(N2CCC(F)(F)CC2)C1	1986254230	NQPFOOLMZOSXOG-UHFFFAOYSA-N	234.250	-0.015	50	10	BBGE	
C[C@@H](F)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1988694548	TXLFJIPBWGCHRZ-SFYZADRCSA-N	229.255	-0.451	50	10	BBGE	
CCN(C[C@H]1CCC[C@H](C(=O)NN)O1)OC	1990164179	JESNDZJYQAFJRI-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)[C@@H](CO)C1	1991706897	VJRDIPIXPPWELJ-UFUPEUMYSA-N	246.694	-0.557	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C)[C@H](C)C1)B(O)O	1992146125	QUQVWQNOOSSCLZ-GHMZBOCLSA-N	226.129	-0.031	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@H](COC)[C@H]2C1)B(O)O	1992167638	NUTDDKILLCUSNK-DCAQKATOSA-N	225.097	-0.231	50	10	BBGE	
CC(C)(C)OC[C@H]1CCCN1C(=O)C(=O)NN	1996850513	SZVMYLLAAWXHRX-MRVPVSSYSA-N	243.307	-0.218	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1[C@H]2CC[C@H]21	1997528966	JAFVJQYQMKWQTB-VROVMSAKSA-N	231.060	-0.039	50	10	BBGE	
C[C@]12CN(CC(F)(F)C(=O)NN)C[C@]1(CO)C2	2001046451	OZOBHADLIFWBMZ-IUCAKERBSA-N	249.261	-0.684	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)CCOCC(=O)NN)C1	2001533725	BHIDAGCCBIMGCM-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@H]2CO3)nc1	2004911712	KBPKTQWTPBSCGA-UWVGGRQHSA-N	234.064	-0.871	50	10	BBGE	
OB(O)c1cncnc1N1CC2CC1(CF)C2	2004912757	XTJWOEKBXOKSAM-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
C[C@@H]1CCC[C@@H](C)N1c1ncncc1B(O)O	2004919916	FGAZHHKTDHNWDH-RKDXNWHRSA-N	235.096	-0.076	50	10	BBGE	
Cc1ncnc(N(C)[C@@H](C)C2CC2)c1B(O)O	2004973563	WZJBUSCKCFGGGB-QMMMGPOBSA-N	235.096	-0.300	50	10	BBGE	
CCC1(F)CN(c2ncc(B(O)O)cc2F)C1	2005013745	AALJHIULHFVSAG-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
CCN(C)c1ccnc2cc(B(O)O)cnc12	2005014931	SXEBBCLNITZYGQ-UHFFFAOYSA-N	231.064	-0.234	50	10	BBGE	
CNC(=O)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010834371	BVBLTCAQYGIPAU-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
Cn1cnc2c(C(=O)NNC(N)=O)cccc21	2012302775	SRCLIPQAKUDLKB-UHFFFAOYSA-N	233.231	-0.114	50	10	BBGE	
CC1(COc2ccc(B(O)O)c(F)c2)COC1	2021346349	SQGBQWBCMXYZTN-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccccc1B(O)O	2022196071	GHHFYXDTNRVMAL-LDYMZIIASA-N	233.076	-0.105	50	10	BBGE	
NNC(=O)c1cncc(Cn2cccnc2=O)c1	2027476117	ZFKFAYJWFDGPKZ-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CCc2cc(B(O)O)ccc21	2055631146	LEFRWTNRPOCBFW-ZJUUUORDSA-N	249.050	-0.387	50	10	BBGE	
N#Cc1cc(B(O)O)cc(OC(F)F)c1F	2060260908	HLDCOGUSHKNBKO-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)nn1C	2076082253	RSWJGONYHHPJAP-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
C#C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	2079009640	JHFQUXICFJWYHC-LBPRGKRZSA-N	243.071	-0.492	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1CCCl	2209127121	IJEKBATYLZUZTM-PRJMDXOYSA-N	209.673	-0.722	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2211492953	IXYBDVOASGGEIZ-IUCAKERBSA-N	226.324	-0.609	50	10	BBGE	
C=C(CN1C[C@H](N(C)C)C(C)(C)C1)B(O)O	2211495004	PXLBDUYVFIDWFV-JTQLQIEISA-N	226.129	-0.173	50	10	BBGE	
Cn1nnnc1SC[C@H]1CC[C@H]1C(=O)NN	2211839270	RWONKUHBYDLZRD-PHDIDXHHSA-N	242.308	-0.682	50	10	BBGE	
C[C@@H]1CSC[C@H]1Nc1ncc(B(O)O)cn1	2212602287	BKLIUJJCQZJVIX-HTRCEHHLSA-N	239.109	-0.680	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC23CC3)c1F	2212603139	CNFHEGAYFATPRH-ZETCQYMHSA-N	222.028	-0.135	50	10	BBGE	
COC[C@@H](C)COc1cc(B(O)O)ccn1	2212609306	QATNWHMAFPEDNC-MRVPVSSYSA-N	225.053	-0.577	50	10	BBGE	
C#CCN(Cc1cccc(B(O)O)c1)C1CC1	2214593889	ZAKMUAIDVJRREF-UHFFFAOYSA-N	229.088	-0.036	50	10	BBGE	
Cc1ccn(C[C@H]2CC[C@@H]2C(=O)NN)c(=O)n1	2215772623	PCRDAQHISHHBGS-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COCCn1cccn1	2215776340	MEQZZOBAZDAZGH-NXEZZACHSA-N	238.291	-0.084	50	10	BBGE	
Cc1cnc(OCCCCCO)cc1B(O)O	2217167535	OFIFAYBZJNITKZ-UHFFFAOYSA-N	239.080	-0.389	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H](O)CC1	2217174072	WCIMMGQJTRGLAV-SECBINFHSA-N	236.080	-0.887	50	10	BBGE	
CC(C)(C)[C@H](O)CNc1ncccc1B(O)O	2217177763	MVYVHMLWUSNXPX-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
CC[C@](C)(CNc1ncccc1B(O)O)OC	2217178489	WQBLVAILDNCNGH-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Oc1ncccc1B(O)O	2217181868	WFQRBOKLCOOJIH-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(NCC2CN(C)C2)cc1B(O)O	2217181935	XFBRTPTWFTZUNO-UHFFFAOYSA-N	235.096	-0.957	50	10	BBGE	
CNC[C@@H](Oc1cc(B(O)O)ccn1)C(C)C	2217194133	QVZQRUSWWFGGKN-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
C[C@@H](CCCN)COc1ncccc1B(O)O	2217194285	UKNVUHANWXVIJI-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@H](O)CN(c1cc(B(O)O)ccn1)C1CC1	2217195991	OVHOKVFHIOEVST-QMMMGPOBSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCC[C@@H]2O)c1	2217203928	BZKIONFZVQRMCH-UWVGGRQHSA-N	236.080	-0.523	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C=CCCC1	2217408487	GQPRWMOIMHYSDP-SECBINFHSA-N	234.064	-0.721	50	10	BBGE	
CC1(C)C[C@H](CN)CN1c1cc(B(O)O)ccn1	2223632466	KDXDAMVOMUYLBW-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCc2cnoc2)c1	2223637300	OYGQRFHGFVGLLA-UHFFFAOYSA-N	247.063	-0.784	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC3(CCC3)[C@H]2O)nc1	2223643938	CEKAILSUUVLVQO-KOLCDFICSA-N	248.091	-0.523	50	10	BBGE	
Cc1cnn(C)c1CNc1ccc(B(O)O)cn1	2223674342	PCIKAQCDGFIYAD-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
O=S(=O)(CCO)N[C@H]1C[C@H](Cl)C1	2241654928	FQGZDOBUDJXHML-IZLXSQMJSA-N	213.686	-0.332	50	10	BBGE	
CCO[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2243348125	UIFDAAPBHJZXFW-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
NCCCCCNC(=O)C1(B(O)O)CCC1	2243366014	WDMMRZVQFJTIED-UHFFFAOYSA-N	228.101	-0.371	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@@H]2C[C@@H]2C)s1	2243380967	BDNQOEBUTSWZKC-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
Cc1ocnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396394	LQRVFGWTYRQNAK-BQBZGAKWSA-N	224.025	-0.538	50	10	BBGE	
C=C1CON(C(=O)c2cscc2B(O)O)C1	2243399160	XWPUEGWPXKXQMV-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
CC1(CNC(=O)c2occc2B(O)O)CC1	2243399346	ZEKFDMLEIQBADB-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243410078	VDNXYLRWAKYNIO-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
C=C(CS(=O)(=O)Nc1cccnc1)B(O)O	2243412649	QSIHCBWQTRDWKS-UHFFFAOYSA-N	242.065	-0.609	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CN(C)CCC(=O)NN	2243791455	AUBIOESANNQDNH-MWLCHTKSSA-N	229.324	-0.029	50	10	BBGE	
OB(O)C1CCN(CCc2cn[nH]c2)CC1	2244180689	PYJBDTZTISWHFG-UHFFFAOYSA-N	223.085	-0.109	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCN1	2244508669	ZUMWLOWYXAYKNL-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
CCCC1(Oc2nc(B(O)O)cs2)COC1	2245013461	FXFROCQRUAERIK-UHFFFAOYSA-N	243.093	-0.229	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)C1(B(O)O)CCC1	2247733003	KMSDJNQYMXSYSL-SNVBAGLBSA-N	243.112	-0.093	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247733868	DNBYNXNTKWOQFI-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCc2ccccc21	2247742353	NQBVUVWKFXSABN-LLVKDONJSA-N	229.044	-0.195	50	10	BBGE	
CCC[C@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2247742589	QTLJNURYQUOWAN-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247753951	BGACACLHPGZXJS-VGMNWLOBSA-N	238.096	-0.811	50	10	BBGE	
CC1(C)C[C@@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247756670	TXUBIERNSRYJCP-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
CCON(C)C(=O)c1cccc(F)c1B(O)O	2247759112	OLDBEQZBQYDDNE-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C2CC2)c1	2247760229	DVOVGMPBPHQAKA-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
CCC(C)(C)NC(=O)c1ncncc1B(O)O	2247771177	KGKWCLFEZFDZRW-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
COC[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)OC	2247787100	KWBKDWQDFUECQF-HRDYMLBCSA-N	245.084	-0.983	50	10	BBGE	
CC[C@H](CCO)CNC(=O)C1CC(B(O)O)C1	2247798510	UXRBMSKLXOPCFM-XNWIYYODSA-N	243.112	-0.236	50	10	BBGE	
CCCC1(NC(=O)C#CB(O)O)CCNCC1	2247841757	LTKJLSTXSIAQAX-UHFFFAOYSA-N	238.096	-0.960	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1C[C@@H]2CC[C@H](C1)O2	2247846687	KSBQIOCQAFJDFX-PBINXNQUSA-N	237.064	-0.830	50	10	BBGE	
CC[C@]1(C)C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247850100	JUHNUFZIHROMBK-GXSJLCMTSA-N	239.080	-0.582	50	10	BBGE	
CC(C)(F)CCNC(=O)c1occc1B(O)O	2247853906	UICYFXGTFSDTEP-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
CON(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCOCC1	2247859851	QFPOCGDECKESGC-IUCAKERBSA-N	243.068	-0.582	50	10	BBGE	
CCN(OC)C(=O)c1cc(F)ccc1B(O)O	2247867292	CGMADFJHDZCCRF-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247896079	DUIHBSZIQCRIAE-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C#CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247898724	HHGWDXZAZSYEDQ-OPRDCNLKSA-N	237.064	-0.900	50	10	BBGE	
O=C(NC[C@@H]1CCCOCC1)[C@@H]1C[C@H]1B(O)O	2247899433	NHWPTOQBGBKWBH-OPRDCNLKSA-N	241.096	-0.218	50	10	BBGE	
CCN1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899520	NUIWMCIXZKMGPJ-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC12CC2	2247905745	VYOCABIJYWKDAL-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccoc1B(O)O)C1CCC1	2255469531	QGKICMNHPWDKBF-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
Cc1ccc(C(=O)N2CCOCC2)c(B(O)O)c1	2255513882	ZPEHVSHQHJHVQK-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
C=C=CCCNC(=O)c1nccc(C)c1B(O)O	2255567324	YGUBHZMYAJVKGX-UHFFFAOYSA-N	246.075	-0.469	50	10	BBGE	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2255569949	AWDQKTAXUCDYNL-GHMZBOCLSA-N	248.091	-0.210	50	10	BBGE	
CN(CCc1ccccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2255569956	AWRROIZWEVYEHV-QWRGUYRKSA-N	248.091	-0.055	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H](C)CC#N	2255683082	QIXRYTQRIJPRET-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2occc2B(O)O)C1	2255738343	RIAVBGKXENUOQQ-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2255744107	ZYIMOOYYUAHWBB-OYNCUSHFSA-N	249.075	-0.170	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)Nc1ccccc1B(O)O	2255893874	VRVQALTYJQNTIH-SECBINFHSA-N	244.059	-0.394	50	10	BBGE	
C#CCC(=O)N1CCCc2cccc(B(O)O)c21	2256600721	KZLFHRSITBSMRY-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@H]21	2258121818	ULVQVYIKJUDIRA-MRTMQBJTSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)co1	2258127130	IGOHXEHYSIPKHK-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(C)nc(C(=O)NCCC#CB(O)O)c1	2258957411	OPHJNGHKWQJGFM-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371357	JJWZSRMMMDHCRL-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H](O)[C@H](F)C1	2300381430	VGZLPVLODWONCP-JLIMGVALSA-N	245.298	-0.593	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(C)(C(N)=O)C1	2302017817	JJSHWSBGHOASGT-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
C#CC[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303847099	CMNCOZKNDZETHL-QMMMGPOBSA-N	236.055	-0.606	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303847998	RRAXDLRIFMOVQV-NKWVEPMBSA-N	242.059	-0.671	50	10	BBGE	
NCC=CCN1C[C@@H](Cl)C(=O)NC1=O	2316773631	OJCFOKBRKCXTBC-ZCFIWIBFSA-N	217.656	-0.340	50	10	BBGE	
Nc1c(C(=O)O)nc(CCl)c[n+]1[O-]	44225109	AIXAYEZVBQFPAK-UHFFFAOYSA-N	203.585	-0.266	50	10	BBGE	
CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)NN	82471974	YEDFJIXMRVCTGQ-ZCFIWIBFSA-N	242.304	-0.061	50	10	BBGE	
NNC(=O)CCCCCN1CCCNCC1	82719880	RJGZEDGMQORRDN-UHFFFAOYSA-N	228.340	-0.168	50	10	BBGE	
CC(C)(CN1CCCNCC1)C(=O)NN	86597953	YYCVCSSHYWXJOG-UHFFFAOYSA-N	214.313	-0.702	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(N)=S)O1	88143342	NZEKGJUXSCPCBO-RFZPGFLSSA-N	203.267	-0.582	50	10	BBGE	
C[C@@H]1SCCN(C(=O)C(=O)NN)[C@@H]1C	132612981	KUUUMGWFTFOCMF-RITPCOANSA-N	217.294	-0.671	50	10	BBGE	
CCCN[C@@H]1COC[C@@H]1C(=O)NN(C)C	147247438	YTTWEUHERWDXKN-DTWKUNHWSA-N	215.297	-0.406	50	10	BBGE	
COc1ccc(CN2CCCC2)cc1B(O)O	169907050	AEJYEWDWZIIROX-UHFFFAOYSA-N	235.092	-0.029	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H](N)C2)c1	203221038	CQYCXSLINNJENX-LLVKDONJSA-N	234.303	-0.177	50	10	BBGE	
CCOC(=O)N[C@@H](NC(=O)NN)C(C)C	209282226	VNUILZUIVXAILP-ZCFIWIBFSA-N	218.257	-0.113	50	10	BBGE	
NNC(=O)CCCN1CCN2CCCC[C@@H]2C1	227398152	UJSIUUISDWYQFV-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
COC[C@@H](Sc1ccncn1)C(=O)NN	232421619	KZBZOMCSMSMEFL-ZCFIWIBFSA-N	228.277	-0.426	50	10	BBGE	
NNC(=O)COCc1ccc2oc(=O)[nH]c2c1	259069956	XXHNBYAVCKHMPG-UHFFFAOYSA-N	237.215	-0.372	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2cnccn2)CS1	274758437	QHVDALUYETWDHR-RXMQYKEDSA-N	239.260	-0.255	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C[C@H]1C	300354962	LAGGDZHABKMHEV-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)c1coc(Cn2ccncc2=O)c1	302608500	MSUGTCFMHAPHSH-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
COC(=O)[C@H]1[C@H]2[C@@H](O)[C@H]([C@H]1Cl)[C@H]1O[C@H]21	306345984	PAMNUHRAKMHCDW-RJJNUTMLSA-N	218.636	-0.229	50	10	BBGE	
C[C@@H](NC(=O)CCl)c1nc(=O)[nH][nH]1	307562383	KSUPVBVCCSONIZ-GSVOUGTGSA-N	204.617	-0.486	50	10	BBGE	
CSCCCNC(=S)NNC=O	308154381	NXDBXKNCCWIQIT-UHFFFAOYSA-N	207.324	-0.135	50	10	BBGE	
COCCCn1nccc1/C=C/B(O)O	308958042	ZKAXVYIVLIRCMH-HWKANZROSA-N	210.042	-0.055	50	10	BBGE	
CN(C)C1CN(Cc2occc2C(=O)NN)C1	382352771	QTIRPLBVGHBNJL-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(CCCCl)C1	388803382	PIBFFLRMPSAUKN-MRVPVSSYSA-N	206.673	-0.463	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ccncn1	396638969	OITROFZVTDLZQK-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
C=CC(=O)NCCC(=O)NNc1ncccn1	490757114	IRILELHJMNVFGZ-UHFFFAOYSA-N	235.247	-0.388	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)C(C)C	526869557	PHTNGRZLQCUBQX-CYBMUJFWSA-N	206.267	-0.689	50	10	BBGE	
CCOC(=O)[C@@H]1NN[C@H](Br)N1	585662183	LEKXBTQYJXMYJO-WVZVXSGGSA-N	224.058	-0.749	50	10	BBGE	
Cc1cc(COc2cccc(B(O)O)c2)nn1C	688109820	KLKUTHANCODTKL-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
COc1cccc(NC(=O)C(=O)NN)c1F	690035057	IXBAEVMRITWRNF-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2COC[C@@H]21	690713855	FYNWPDOPYCZLLS-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
O=C1CN(CCOC2CCC2)CC(=O)O1	691288757	KBKONZWFIZASLQ-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@](C)(O)C1	695087979	QUAHPKYXDRZLHW-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(=O)NCc1cncc(Cl)c1	703042119	DNFBDRFTZOLEFE-UHFFFAOYSA-N	228.639	-0.659	50	10	BBGE	
CN(N)C(=O)Cn1nnc(-c2cccs2)n1	707491998	OHLYYKWFTGERMM-UHFFFAOYSA-N	238.276	-0.266	50	10	BBGE	
C#CCOC(=O)N1CCc2cc(B(O)O)ccc21	712146614	ORJQWKSASDAFGP-UHFFFAOYSA-N	245.043	-0.501	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718164536	CNZBQWNKTYOOPB-FIRGSJFUSA-N	225.292	-0.524	50	10	BBGE	
Cc1c(N[S@+]([O])(=O)CCCl)[nH]n[n+]1C	725702976	URVTWWDJNVQXQW-AWEZNQCLSA-O	239.708	-0.047	50	10	BBGE	
CN(NC(=O)Cc1ccc(F)cn1)C(N)=O	798302134	NQFINAPNBJHUPU-UHFFFAOYSA-N	226.211	-0.195	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC2(C)C)nn1	855186674	DIWZCGYJTRBGKA-ZCFIWIBFSA-N	237.263	-0.378	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCn2cc(C)nc2C1	1261787097	DALTXVUQOCXLRA-SECBINFHSA-N	236.275	-0.079	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CC3)N1	1329079214	VNUNFORNSDXSIU-BQBZGAKWSA-N	237.259	-0.788	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1442297586	YTZJKVULNUJTRB-XLPZGREQSA-N	239.275	-0.048	50	10	BBGE	
CN(NC(=O)c1cc2cccn2cn1)C(N)=O	1446344744	ZIIKZJWRZWVGPK-UHFFFAOYSA-N	233.231	-0.010	50	10	BBGE	
CSCC[C@H](O)C(=O)NNC(=O)N(C)C	1464550570	PUPPNWDEAXLQAR-LURJTMIESA-N	235.309	-0.597	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)ncn1	1587135427	IDLVXKHYJZHAPO-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)C(C)(C)C#N)n[nH]1	1639988293	WUPLLMAYPWKEBZ-UHFFFAOYSA-N	249.274	-0.042	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1C[C@H]2CC[C@H]1O2	1654621523	GTVMAXIUYDEQIM-DSYKOEDSSA-N	223.236	-0.185	50	10	BBGE	
C[C@H](Cl)CNC(=O)CC[C@@H](N)C(=O)O	1866018176	VPZCRJPPHONPNW-NTSWFWBYSA-N	222.672	-0.078	50	10	BBGE	
OC[C@H]1[C@H]2C[C@H]1N(C[C@@H](O)CCl)C2	1884049425	WEYZFOULDRCOCB-XSPKLOCKSA-N	205.685	-0.101	50	10	BBGE	
C[C@@H](CCCl)C(=O)NC[C@@H](O)C(N)=O	1885937513	HPYYZSBPTYNNEG-NTSWFWBYSA-N	222.672	-0.786	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2C[C@@H]2F)[nH]1	1887433158	MYYJPJMTUOKJKP-IUYQGCFVSA-N	217.635	-0.033	50	10	BBGE	
CO[C@@H](C)CC(=O)NCC=CB(O)O	1892925070	SGXQJULYXCLJSU-ZETCQYMHSA-N	201.031	-0.904	50	10	BBGE	
NC[C@](CF)(NC[C@H]1C[C@H]1Cl)C(=O)O	1893207935	WZPWEUHBAVLKMB-JKMUOGBPSA-N	224.663	-0.045	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1895163805	VRMYTJJVDSUOKN-GOFVFXDOSA-N	223.276	-0.521	50	10	BBGE	
N#CC1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	1900500831	DGEKBMTVNFSZNF-UWVGGRQHSA-N	222.292	-0.152	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)C1COC1	1900501182	HUXHRLUPZSPJIK-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@H]1C[C@H]1C(=O)NN	1900530468	XUWVYZXEISGKRP-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H](C)CC(=O)N1CC[C@](C)(B(O)O)C1	1902512726	OMOIKMONLZRZSX-SCZZXKLOSA-N	229.085	-0.123	50	10	BBGE	
OB(O)c1csc(CO[C@@H]2CCCOC2)n1	1902658840	UKJPOIKXQQMKIY-SSDOTTSWSA-N	243.093	-0.482	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](O)[C@@H]1C)C(=O)NN	1902707140	QXNPKWMHNBHYKM-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](C)(CN(C)CCC(N)=O)C(=O)NN	1902715004	BPUHEJUAHAOCFG-JTQLQIEISA-N	230.312	-0.800	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](CO)C2)C1	1908359602	WZFFHQHRTOJQLW-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C(=O)NC1CC(C2CCC2)C1	1910409229	XQHLSOWKUHKYRL-UHFFFAOYSA-N	211.265	-0.329	50	10	BBGE	
CCOC(=O)C(C#N)=Cc1nnn(C)n1	1911642406	GELQSRWBIVWJAH-UHFFFAOYSA-N	207.193	-0.320	50	10	BBGE	
CS(C)(=O)=NCc1ccc(C(=O)NN)cn1	1913512247	IAFHQQGVIFQSQX-UHFFFAOYSA-N	242.304	-0.087	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CC[C@@H](C(=O)NN)O1	1913513238	DEBZLTNBKUJLGV-RQJHMYQMSA-N	235.309	-0.749	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@H](C)Br)C1	1917121409	FQAFTINCIGMWQP-LURJTMIESA-N	232.077	-0.024	50	10	BBGE	
CCN(CCCO)C[C@@H]1C[C@H]1C(=O)NN	1927913708	MDIOVDJHVCYLBS-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
CCNC(=O)CSC[C@H]1C[C@H]1C(=O)NN	1927917115	IXAVKMWHJHTCOV-RNFRBKRXSA-N	231.321	-0.518	50	10	BBGE	
CON(C[C@H]1C[C@@H]1C(=O)NN)C(C)C	1928662759	NOPGYODSOYIYAL-SFYZADRCSA-N	201.270	-0.116	50	10	BBGE	
COc1nscc1[C@@](C)(N)B(O)O	1929630453	XGNCDNPOBYSVNU-ZCFIWIBFSA-N	202.044	-0.662	50	10	BBGE	
O=C(C[C@@H]1CCCOCC1)NNCCO	1929838865	UJDIZJLRRVZWEQ-SECBINFHSA-N	216.281	-0.194	50	10	BBGE	
CNC(=O)CN(N)C(=O)OC(C)(C)C	1930118281	MWUMIEARARNZJW-UHFFFAOYSA-N	203.242	-0.157	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)[C@@H](CCO)C1	1930351045	FKOFEPKSLRJERU-YUMQZZPRSA-N	221.684	-0.326	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC(CCl)C1	1933139583	BCRCOCAIZPXPSS-UHFFFAOYSA-N	237.708	-0.272	50	10	BBGE	
NNC(=O)C(=O)NCCOC1CCSCC1	1936203833	OXUSZAGOFVLZLD-UHFFFAOYSA-N	247.320	-0.995	50	10	BBGE	
CN(Cc1cccnn1)C[C@H]1C[C@H]1C(=O)NN	1941083559	AIWLNAZUKMLZBS-PSASIEDQSA-N	235.291	-0.466	50	10	BBGE	
CN(C)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941086680	JRRUMFWJKAFTGP-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CC1(CO)CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941089336	JSFJRWNIFQIUAY-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1941121460	IJJRUYYAZZFMFF-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1943089258	KSRCHVGSHKCUKF-AXFHLTTASA-N	241.335	-0.152	50	10	BBGE	
Cn1cnc(COc2ccccc2B(O)O)c1	1946175047	KBUUQUYYVBURDN-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
NNC(=O)c1cc(CO[C@@H]2CCCOC2)on1	1947168547	JBPABLMSPVBPPE-SSDOTTSWSA-N	241.247	-0.026	50	10	BBGE	
CCc1c(CN(C)CCC(=O)NN)cnn1C	1947408832	BQBTUSYRTGABDA-UHFFFAOYSA-N	239.323	-0.206	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@@]12CCOC2)C(=O)NN	1950637868	DAANJDKMENCIEZ-JFGNBEQYSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(O)(CO)C1	1954054894	APAKLUWGNHPYRT-LURJTMIESA-N	207.657	-0.573	50	10	BBGE	
CNC(=O)CC1CN(C[C@H](O)CCl)C1	1956252507	QJJVERONDBKMFB-MRVPVSSYSA-N	220.700	-0.346	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@]12CC2(F)F	1956892313	WCBQYLFBKZFDMZ-IYSWYEEDSA-N	206.192	-0.355	50	10	BBGE	
Cc1nnc(O)n(C[C@@H](O)CCl)c1=O	1957346185	MIHHMCUVTUJCGV-YFKPBYRVSA-N	219.628	-0.748	50	10	BBGE	
NNC(=O)NCc1ccc2nncn2c1	1958545567	UWWLJXKSNRYGPE-UHFFFAOYSA-N	206.209	-0.598	50	10	BBGE	
C[C@@H](CN1CCN(C)[C@@H]2C[C@@H]21)C(=O)NN	1960968100	RYNKQQMEHXUMOA-YIZRAAEISA-N	212.297	-0.999	50	10	BBGE	
OB(O)c1cncnc1OCC1CCC1	1961693782	DQHKISUWDZRTKA-UHFFFAOYSA-N	208.026	-0.665	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]2CS3)n1	1961717922	IDZPGXYLJJTFLX-NTSWFWBYSA-N	242.134	-0.483	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@@H](O)[C@@H]1C2	1961926427	MUOJTHNMEDRYRT-ZJDVBMNYSA-N	235.711	-0.598	50	10	BBGE	
CCO[C@H]1CC[C@H](C(=O)NNCCO)C1	1962378877	OBTNAMWSRQXKOU-IUCAKERBSA-N	216.281	-0.195	50	10	BBGE	
NNC(=O)COCCOC1CC(CF)C1	1974613347	OJCUVDZDBTUDDP-UHFFFAOYSA-N	220.244	-0.242	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CCC1	1975100585	GLISCJZKTZRXOK-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
CP(C)(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NN)C1	1976873183	WQXVXNSRRVXUKM-RQJHMYQMSA-N	247.235	-0.364	50	10	BBGE	
CC[C@H](COC)N(C)[C@@H](COC)C(=O)NN	1979240526	DIESDROMSNVBRI-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
CC(C)N1CCCN([C@@H](C)C(=O)NN)CC1	1980743353	INGFSBAFGQRXMP-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
COC(C)(C)[C@@H](NC(=O)NN(C)C)C(=O)O	1981022393	QSYLJLAGDYEGQO-LURJTMIESA-N	233.268	-0.360	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ncc(B(O)O)cn1	1981413342	FQUNJHNHCPOZTP-HTRCEHHLSA-N	225.032	-0.907	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21)C(=O)NN	1982000515	RTZOJWIBKNRXGD-SYHAXYEDSA-N	223.276	-0.521	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	1983559156	MEDAELMAFINGPA-IWSPIJDZSA-N	233.287	-0.737	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1990040761	IYKUKJWJJKCDSZ-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CC(F)C2)O1	1990165223	WKYWBSDDBZSGCF-DTWKUNHWSA-N	231.271	-0.432	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1[C@H]2CC[C@H]12	1990771947	DLMFFVNIRTZLHY-IUCAKERBSA-N	225.292	-0.259	50	10	BBGE	
CCOCCC(=O)N[C@@H]1CCC=C1B(O)O	1991326473	HEPWVRRTMXQYED-SECBINFHSA-N	227.069	-0.370	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@](CO)(C(=O)O)C1	1991686111	OKMPUQLKIHBUFI-FWWHASMVSA-N	247.678	-0.091	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C1(C)C	1993463567	GNKWPKWQQRDMSK-BDAKNGLRSA-N	229.324	-0.154	50	10	BBGE	
O=C(NNCCO)[C@@H](O)Cc1ccccc1	1994649019	YULVWCMGFOXWOS-JTQLQIEISA-N	224.260	-0.797	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1cncc(B(O)O)c1	1995035056	APGZCHGFWBMWQH-XCBNKYQSSA-N	225.028	-0.112	50	10	BBGE	
COCCO[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	1996764969	UXPRCEYZBBCHBS-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCN(C2CC2)C1)C(=O)NN	1997513699	VOFHVLGMAVHISD-MWLCHTKSSA-N	240.351	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCC(O)CC1	1997588966	UIKBRUGIAMBGLS-UDNWOFFPSA-N	245.323	-0.773	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnn(C)n1	2004801155	PKDBRUOSXNRNET-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H](C2CC2)C1	2004917492	CKXBMLSJESRMHV-VIFPVBQESA-N	233.080	-0.607	50	10	BBGE	
Cc1ncnc(N2CCC(C)(C)C2)c1B(O)O	2004972752	JZUAHIIQDHZSHW-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
O=C1CN(CC2(F)COCCOC2)CC(=O)O1	2014014141	GUZQDDBTUSNCRS-UHFFFAOYSA-N	247.222	-0.873	50	10	BBGE	
CO[C@@H](CN(C)CCOCC(=O)NN)C(C)C	2014866730	PQHUABOYWXZKAW-JTQLQIEISA-N	247.339	-0.404	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@H]2C[C@H]21	2014931188	YPYLVPUQDBIACO-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
CCCN(c1ncncc1B(O)O)C1CCC1	2020637593	NYPDCZYOPFOLQY-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc(F)cc(F)c1	2021164625	KFFKDXZWBPMFQI-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@@H](C2)C3)c1B(O)O	2021421319	IDAAOQGUYVSPEF-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
C[C@H]1CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)[C@H]1C	2023852292	FKUMFHRIEFGPCN-QSFUFRPTSA-N	239.319	-0.134	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1(CCO)CCC1	2025523501	YATUJYVVTPWVQX-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC23COC3)nc1	2051852634	AAHUMBKBJNQJIO-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
CCN(c1ncc(C)cc1B(O)O)C1CN(C)C1	2052626135	BCRQFVWYHVQJPD-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCOc1ccc(F)c(B(O)O)c1[N+](=O)[O-]	2060124837	FEUHDZAIIDHGCG-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	2079602297	LFNMXYJVRSHMBG-NXEZZACHSA-N	249.123	-0.115	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NN	2210732217	YOJXUHIWVIABKU-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
OB(O)c1csc(CN2CC3(COC3)C2)c1	2211073025	UXCBWPUIMOWZBD-UHFFFAOYSA-N	239.105	-0.740	50	10	BBGE	
OB(O)c1cccnc1NCc1cc[nH]n1	2212603735	QRVGSINGXONXPB-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
C=C1CCN(c2ccc(B(O)O)cn2)CC1	2212610806	PHKHPWLVRRRXQR-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CCN(C)C1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215772881	QPQTYFQFIZPRDL-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccnc(NCCc2cncs2)c1	2217177913	OZQYMSYUOFHKDC-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
CC1(C)C[C@@H](N)[C@@H]1Oc1ccc(B(O)O)cn1	2217188678	RVVSWZFYSYOILT-SCZZXKLOSA-N	236.080	-0.734	50	10	BBGE	
Cc1n[nH]cc1CNc1ncccc1B(O)O	2217196388	RLYGAJZVNRTHBZ-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
CC[C@@H](CNC)Oc1nccc(B(O)O)c1F	2217196530	SCLLJVNXUSSKGH-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@@H]3COC[C@H]23)c1	2217199213	AYCQTZCVWZNKRU-OWUUHHOZSA-N	234.064	-0.934	50	10	BBGE	
CC(C)[C@H]1C[C@H]1Cn1cc(B(O)O)cnc1=O	2217411860	ZGFIQFJWQIVOES-WCBMZHEXSA-N	236.080	-0.785	50	10	BBGE	
OB(O)c1ccnc(NC2([C@H]3CCCO3)CC2)c1	2223633932	DAJVOKYFZTXMDN-SNVBAGLBSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1cnc(=NCc2cccc(F)c2)[nH]c1	2223652832	MBASZNNHHPUQKN-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COC[C@H]3C2)cc1B(O)O	2223652855	MJZQIZTZRFTIOZ-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCCN(CC2)C3)c1	2223666107	HEUGVXCNLXFDHT-LBPRGKRZSA-N	247.107	-0.588	50	10	BBGE	
C[C@H]1CCCC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223666991	PMCKCUSRUWUKGH-VHSXEESVSA-N	249.123	-0.184	50	10	BBGE	
CCc1nc(CNc2cc(B(O)O)ccn2)n[nH]1	2223673811	ZIHQRLXXAPNRGA-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
O=S(=O)(NN1CCCC1)N1CC(Cl)C1	2241330603	CCZVRPPPHATHMV-UHFFFAOYSA-N	239.728	-0.245	50	10	BBGE	
CCN(O)C(=O)c1sccc1B(O)O	2241481294	QVPPPPBQRXAUJZ-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@H](O)CC1	2241588920	IRLBNTOSYXYHKY-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
CN(C(=O)N[C@@H]1CCC=C1B(O)O)C1CC1	2243091893	GQHGSJDXYKIKBZ-SECBINFHSA-N	224.069	-0.109	50	10	BBGE	
O=C(NC1CC=CC1)c1coc(B(O)O)c1	2243350189	XGPAUCBGIGJZNH-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)[C@H](C)C1	2243356385	GYPAOMLEFWHOMC-OPRDCNLKSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C=C[C@H]1CC2	2243362269	OSUCZQCDIVYLJB-GUBZILKMSA-N	219.049	-0.527	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383400	XGCUFAVFGIQIAV-NGJRWZKOSA-N	223.037	-0.756	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CNC1	2243391341	JMWAAWRDISFCHT-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
CCN(C[C@H](C)O)C(=O)C1CC(B(O)O)C1	2243396541	NQUBHKCOJFGNNL-UEJVZZJDSA-N	229.085	-0.531	50	10	BBGE	
C#CC(C)(C)CNS(=O)(=O)CC(=C)B(O)O	2243420527	UZCLOYQLIDWCGZ-UHFFFAOYSA-N	245.109	-0.867	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)o1	2245939123	CJZPBRZUHYIUAD-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
O=C(NCC=CCl)c1ccc(B(O)O)cn1	2246226406	KHWGZUAGTXOQIX-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
O=C(N1CCC12CCOCC2)C1(B(O)O)CC1	2247754589	NJEFHKVXRULSSZ-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
CN(C(=O)c1cccc(F)c1B(O)O)C1CC1	2247758988	NJDUKWIYTXFVTB-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785391	KEWMOQRJGSWAHA-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247789939	CZBJCNMSPRJWGV-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
CN(C)C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247800690	RNOXSFZAKVCXKF-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CCC=C1CN(C(=O)c2ccoc2B(O)O)C1	2247846261	CQMXYBPIOSJKPW-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC2(CCCC2)O1	2247852162	PNSPQUFYNWBTQW-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N(C)C(C)C	2247854417	CKLFVNHPVSWRIX-UHFFFAOYSA-N	238.096	-0.332	50	10	BBGE	
CON(C(=O)[C@H]1C[C@H]1B(O)O)C1CCOCC1	2247859850	QFPOCGDECKESGC-DTWKUNHWSA-N	243.068	-0.582	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)cc1C	2247860595	YVXFFZFFYUIHFW-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CC=CCNC(=O)c1cccc(B(O)O)c1F	2247868709	XHRMHGKWEMUFDH-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C#CC1CC(NC(=O)c2coc(B(O)O)c2)C1	2247871761	HJRSREKUQJCDMX-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
C[C@H]1COCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894551	IADHMHKUACCBLK-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1Cc2nc[nH]c2C1	2247896426	GSGYFFQGGVEFTO-LJGSYFOKSA-N	235.052	-0.495	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247898720	HGZAGXFAMMQQSO-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
CCCONC(=O)Nc1cccc(B(O)O)c1	2247946227	GUXVARZKMAQMML-UHFFFAOYSA-N	238.052	-0.171	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)cc1O	2247985943	OMNPEJCGSQMZLY-UHFFFAOYSA-N	239.011	-0.715	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248584762	AZWVMDSDKNGVJG-MHYGZLNHSA-N	241.052	-0.685	50	10	BBGE	
OB(O)c1cccnc1NC12COCC(C1)C2	2250961928	MTGBSWPXMGBCRB-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
Cc1ncccc1NC(=O)c1occc1B(O)O	2255489354	SAROLRITYBJYCO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1CC(n2cccn2)C1)C1(B(O)O)CC1	2255490150	DXWZKQNUVDGGRZ-UHFFFAOYSA-N	249.079	-0.290	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(C)ccc1B(O)O	2255510912	BPKSSVKZVBAQNQ-JTQLQIEISA-N	243.071	-0.477	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1cc(B(O)O)n[nH]1	2255554822	ROUFEKRFOZCGPM-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@H]2CC[C@@H]21	2255722346	NKXMNAXVABLWQT-SCZZXKLOSA-N	246.075	-0.614	50	10	BBGE	
O=C(Nc1ncccc1O)c1coc(B(O)O)c1	2256919234	XMKJSYQANKZFOS-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C[C@@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369970	KIAOJOCEIQILMF-SDNRWEOFSA-N	241.096	-0.483	50	10	BBGE	
N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371456	LWRGVZPKKZDQKV-IVZWLZJFSA-N	240.112	-0.421	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)C1(B(O)O)CC1	2298374954	HZMQGPKODPPURQ-HRDYMLBCSA-N	238.096	-0.668	50	10	BBGE	
CC[C@H](O)CN(CCC(=O)NN)C[C@H](O)CC	2299155010	HUCHETSIEAPTCP-AOOOYVTPSA-N	247.339	-0.790	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299808963	AADGRJHHIYXDSU-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2300391672	XFFXDXQALNKUED-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nnn2c1CCC2	2301175278	YWBXZVWOAAASOG-SSDOTTSWSA-N	238.295	-0.966	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)C1CC(B(O)O)C1	2302523036	TYMGXMGBRHTUNS-UDNWOFFPSA-N	243.112	-0.285	50	10	BBGE	
CC(=O)N(C)C1CN(CCCCC(=O)NN)C1	2307906149	CHQDVIDAELEVAK-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@H]1CC[C@@H]2C[C@H]12	2312857667	ZYIMOOYYUAHWBB-WEDXCCLWSA-N	249.075	-0.170	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2nccn2CC1	2315468666	DORONKGBNQSJKK-DTWKUNHWSA-N	249.079	-0.869	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CCNC1	2317161686	NTSMMEGWUBLWLB-SECBINFHSA-N	246.075	-0.774	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1[C@@H]2CCO[C@@H]21	2317168703	XRUUMXUFZIRKFK-DLOVCJGASA-N	244.059	-0.563	50	10	BBGE	
CO[C@@H]1NC(=O)C(OC)(OC)[C@@H]1Cl	39347081	YRSKQPLHRGDHDT-UHNVWZDZSA-N	209.629	-0.315	50	10	BBGE	
N[C@@H](Cc1nnc(CCCl)o1)C(=O)O	83350182	BNOLHOQRFJPVFO-BYPYZUCNSA-N	219.628	-0.195	50	10	BBGE	
NNC(=O)CN1CCN2CCCC[C@H]2C1	86930327	FVQHLNLRXQYCHB-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
OCCn1cc([C@H]2OC[C@H](CCl)O2)nn1	134974477	WMKMSZONMGYQKH-XPUUQOCRSA-N	233.655	-0.077	50	10	BBGE	
O=c1ccc(=O)n(C[C@@H](O)CCl)[nH]1	157819488	SHGYTKLNGPCEJC-YFKPBYRVSA-N	204.613	-0.864	50	10	BBGE	
O=C(CCBr)N[C@@H]1CONC1=O	168490301	XQHUHIZQRNDDKH-SCSAIBSYSA-N	237.053	-0.682	50	10	BBGE	
Cc1ccn(-c2nc(B(O)O)cs2)n1	199487567	GJRLWYSTNMXMGA-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
OB(O)c1cc(F)cc(COC2COC2)c1	218892442	DJAGIWIVSWLSSC-UHFFFAOYSA-N	226.012	-0.579	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](OC)C1	233356549	JGZUALQLLMXKQG-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC[C@H](N)C2)n1	236229607	JAGLMAJTXBZANA-VIFPVBQESA-N	249.318	-0.392	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)c(Cl)n1	238261333	NDQHOLBCPSXPGG-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
COc1cc(N2CC(=O)OC(=O)C2)nn1C	300923542	HELBPYRKPRVMEW-UHFFFAOYSA-N	225.204	-0.682	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCOCCO	301047398	PMOWQJPSLRWNLQ-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CCC[C@H](Cl)[C@H](O)[C@H](O)[C@@H](O)CO	308050472	GSIMLUVFAXEHQL-DKXJUACHSA-N	212.673	-0.531	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1/C=C\C(=O)O	396140604	WVKITXXFZPCJFF-WAYWQWQTSA-N	248.043	-0.404	50	10	BBGE	
Nc1cc2c(C(=O)O)ccc(B(O)O)c2s1	396244117	PBRYDFWKRLYNEN-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C1C[C@@H](CN=c2[nH]nc(CCCl)o2)CN1	398405999	OYOVRLTUXUCANG-ZCFIWIBFSA-N	244.682	-0.179	50	10	BBGE	
C[C@H](CSC[C@H]1CN(C)CCO1)C(=O)NN	400747181	BCPHWSBDLORNNS-RKDXNWHRSA-N	247.364	-0.324	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccns1	404476662	RTXFFQAHUIYTQD-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
CC[C@@H]1C[C@H](N2CC(=O)OC(=O)C2)CO1	688490665	WRRABQWPRUBDBY-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
NC(=O)N[C@H]1CCN(C(=O)NC(=O)CCl)C1	690803039	FRMRFPFOXPIHEW-YFKPBYRVSA-N	248.670	-0.796	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@](C)(CO)C1	694664332	ZVMPIVJMCNBQEO-FOGDFJRCSA-N	243.351	-0.049	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H]1CCO	694918616	FXMWYMJCANYKRB-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CCNC1=O	696375116	IJQYSRBNIOWGFP-UHFFFAOYSA-N	248.286	-0.256	50	10	BBGE	
NNC(=O)C(=O)N1CCCC(F)(F)CC1	702836893	YTZNPSMNZJOHQZ-UHFFFAOYSA-N	221.207	-0.376	50	10	BBGE	
Cc1nn(CCN2CCCC2)c(C)c1B(O)O	703721064	GEACHUYUOTZUSP-UHFFFAOYSA-N	237.112	-0.724	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@@H](C)C(=O)NN)C1	708291314	QNXOOVXRQMVCRW-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
C[C@H](N)CSCc1nsc(C(=O)NN)n1	724325303	VGMKDBHDCGMVOH-BYPYZUCNSA-N	247.349	-0.278	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	817215157	HTOPDHFWRBQMMA-HLTSFMKQSA-N	242.275	-0.262	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@@H]2CCCCO2)CC1	843601411	MEOOBBQILHUAJU-QMMMGPOBSA-N	242.275	-0.118	50	10	BBGE	
O=C(CO)NN=Cc1cn(C2CCC2)nn1	853327977	IPKYTWGKTCQIDQ-UHFFFAOYSA-N	223.236	-0.555	50	10	BBGE	
Cn1cc(C(=O)NN=C2CCn3ccnc32)nn1	853382923	NSJYGSVIDSSSRL-UHFFFAOYSA-N	245.246	-0.451	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2CC2)nc1O	854665957	JPOYJHWXHRHOEZ-UHFFFAOYSA-N	238.247	-0.313	50	10	BBGE	
Cc1ccnc(C(=O)NN(C)C[C@H](C)O)n1	910150339	PYRLMELZUMWBHJ-QMMMGPOBSA-N	224.264	-0.258	50	10	BBGE	
CCC[C@@H](NC(N)=O)C(=O)NN(C)C[C@H](C)O	1299011411	SKZZBASDFRBOEE-JGVFFNPUSA-N	246.311	-0.833	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](C)CC(N)=O	1618665477	FZSMHVBFNPAYNS-LURJTMIESA-N	215.253	-0.699	50	10	BBGE	
CCOC(=O)[C@H](C(=O)NN(C)C(N)=O)C(C)C	1630878345	ORWWPEKBEYNNPX-ZETCQYMHSA-N	245.279	-0.137	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1CC1(F)F	1634249786	JWNHUIJUIPLNBX-SCSAIBSYSA-N	222.191	-0.440	50	10	BBGE	
CSc1cccnc1C(=O)NNC(=O)CO	1638526580	PWYDOWULGOPQNE-UHFFFAOYSA-N	241.272	-0.443	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)C[C@@H]1N	1877519636	GVFARTNCKHSSSD-OOJXKGFFSA-N	218.684	-0.202	50	10	BBGE	
NC(=S)NNC(=O)C12CC(CO1)C2	1883223458	QOJXSVHDOTVBJO-UHFFFAOYSA-N	201.251	-0.970	50	10	BBGE	
CN(NC(=O)C1CCC1)S(C)(=O)=O	1888598086	AWHLHCCZWLKGMH-UHFFFAOYSA-N	206.267	-0.291	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@H]1Cl)N1CC(O)C1	1893127830	KKHKCSLGKOMXNE-CAHLUQPWSA-N	240.712	-0.875	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCS[C@H](C)C1=O	1893845697	LCCQONXASHSZKI-NKWVEPMBSA-N	231.321	-0.281	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	1894364682	QBDJRNJKNSJUDQ-XSPKLOCKSA-N	221.260	-0.601	50	10	BBGE	
C=C(CN1C[C@H]2CN(C)C[C@@]2(C)C1)B(O)O	1897283699	LVFBAOLUHWDRGJ-MNOVXSKESA-N	224.113	-0.562	50	10	BBGE	
CN1CCC2(CCN(C(=O)NN)CC2)C1=O	1901362310	PVUFWGGRYZKVMV-UHFFFAOYSA-N	226.280	-0.486	50	10	BBGE	
CN(NC(=O)[C@H]1CCCC[C@H]1N)S(C)(=O)=O	1901377380	NNLGGOBDPPPEEL-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](COC[C@@]1(C)CCN(C)C1)C(=O)NN	1901425540	MDIUPFQADQJZIC-KOLCDFICSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CC[C@H](B(O)O)C1	1902535010	WGXBLTYWKQEIBN-IUCAKERBSA-N	226.085	-0.844	50	10	BBGE	
OB(O)[C@H]1CCN(CCO[C@H]2CC2(F)F)C1	1902544609	CSURBJBZQQBTEQ-YUMQZZPRSA-N	235.039	-0.041	50	10	BBGE	
O=C(NOCCCl)C1COCCOC1	1902696078	SUOKERUIWNILCR-UHFFFAOYSA-N	223.656	-0.064	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)ccc1B(O)O	1907456057	SBZLTNRGNCOJDC-SCZZXKLOSA-N	237.039	-0.029	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1907692553	QURWANAGXQHLNK-XSPKLOCKSA-N	241.243	-0.683	50	10	BBGE	
O=C1CC[C@@H](O)CN1C[C@H](O)CCl	1914099960	DYEKKQVHTUKXFB-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC(C)(C)C1)C(=O)NN	1923153726	AXHNHULWQPUEHP-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C[C@@H](O)C[C@@H]2C1	1927859102	AHSCPHSTFDZGKE-HLTSFMKQSA-N	232.711	-0.109	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc(Cl)cn1	1928449980	RJYPXANWUIPRNE-UHFFFAOYSA-N	228.639	-0.659	50	10	BBGE	
OC[C@H](O)[C@H]1COCCN1CC=CCCl	1928573348	IMMXSMDENBTPPZ-ZJUUUORDSA-N	235.711	-0.165	50	10	BBGE	
CS(=O)(=O)CCN[C@H]1COC[C@H]1CCl	1928744998	WTUCPZYDYPMSKU-SFYZADRCSA-N	241.740	-0.126	50	10	BBGE	
NC(=O)NNC(=O)c1coc(C(F)F)n1	1932934121	SMBZZBJUXGNPGR-UHFFFAOYSA-N	220.135	-0.075	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CC1(F)F	1933032629	PFFATDHIUAFSCU-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCO)CC1CC1	1936082242	DAHYXBYSEGFDIJ-UWVGGRQHSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCN1C	1936093155	BFTVPZZGVFYASY-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
C[C@H]1CSCCCN1CCOCC(=O)NN	1936531549	FGEVUVLDHQYVNV-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1Cl	1936883684	XSCIQXNNEVXPMZ-HTRCEHHLSA-N	243.698	-0.202	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COC[C@H]2CCl)nn1	1937184246	XMHFRZLBZHHLSQ-SVRRBLITSA-N	244.682	-0.201	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@@H]2C1=O	1940089195	ZNYXCPMORTYNHC-RYPBNFRJSA-N	223.276	-0.519	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1941074236	QBSHKVVPZYOYPC-AXFHLTTASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](C2CC2)CC1=O	1941088872	HGAPCAMAUZFTSE-KXUCPTDWSA-N	237.303	-0.129	50	10	BBGE	
CN(CCn1cccn1)C[C@H]1C[C@@H]1C(=O)NN	1941089184	UGAPBXIIGZEAJC-ZJUUUORDSA-N	237.307	-0.559	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941287521	GPTPKZLHEWNODL-DBIOUOCHSA-N	241.335	-0.154	50	10	BBGE	
CCC[C@H]1CN(CCOCC(=O)NN)CCO1	1941772150	FFGPTZACHZDLGX-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1CC1(F)F	1942459407	UOYAFIUXYXZTNZ-RXMQYKEDSA-N	241.990	-0.645	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H]2C2CC2)CC1	1945883896	HQGDSKGRLMPPCE-JTQLQIEISA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCC2)CC[C@H]1CO	1946676090	GMIBASIQUHAKNV-QMMMGPOBSA-N	241.291	-0.870	50	10	BBGE	
CCN1C[C@H](N2CCC(O)(C#N)CC2)[C@H](O)C1	1950683074	SMHNLWSQJXTDMX-WDEREUQCSA-N	239.319	-0.598	50	10	BBGE	
NNC(=O)C(=O)N1CC(OCc2ccccc2)C1	1953261055	VADRDQOZIJJSQQ-UHFFFAOYSA-N	249.270	-0.596	50	10	BBGE	
CC1(C)CN(C(=O)NN)CC[S@@]1=O	1954018103	PALQDOOQTOIYEO-ZDUSSCGKSA-N	205.283	-0.587	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@](C)(O)CCO	1954724817	JHICCEJRQUKDPK-SVRRBLITSA-N	209.673	-0.137	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)NN)C[C@H]1OC	1954927496	ZDORXVWIDWWOSR-POBXSPIYSA-N	203.242	-0.648	50	10	BBGE	
O=C(CCl)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1954933021	QRALEMDTTCUWDY-HOGHBVSRSA-N	219.668	-0.528	50	10	BBGE	
O=C(NCB(O)O)c1ccc(F)c(O)c1	1961238090	UONJOZPVLVWPJQ-UHFFFAOYSA-N	212.973	-0.727	50	10	BBGE	
C[C@H]1C[C@@H](OC[C@@H]2C[C@H]2C(=O)NN)CO1	1961629280	OSCOESKXVNHYNT-RBXMUDONSA-N	214.265	-0.194	50	10	BBGE	
CC[C@H]1CCN1c1ccncc1B(O)O	1961679234	MQSGLMLBJGFRPV-QMMMGPOBSA-N	206.054	-0.250	50	10	BBGE	
CCN(CC)CCOC(F)(F)C(=O)NN	1974673120	IAAVDMFIBLNGEQ-UHFFFAOYSA-N	225.239	-0.073	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@@H](CO)C1	1979230458	GCQZEBSNPMGADI-UTLUCORTSA-N	227.308	-0.683	50	10	BBGE	
Cc1nnc([C@H]2CCCN2CC(=O)NN)o1	1981093272	JYUKSXBCXFIPMZ-SSDOTTSWSA-N	225.252	-0.495	50	10	BBGE	
NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	1981609409	MZPZLBJSNXDEOE-SECBINFHSA-N	228.296	-0.587	50	10	BBGE	
CCN1CCN(CCC(=O)NN)C(C)(C)C1	1982414651	CIFHDHXFFNXMGI-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@H](C(F)(F)F)C1	1986847981	MBGZESPVKYWJDN-RITPCOANSA-N	241.213	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C2(O)CC2)CC1	1987342481	XPYNPSPOSQZFNI-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSCC[C@@H]1C	1990774796	NJWMRQOPWGAMEY-QMMMGPOBSA-N	245.348	-0.019	50	10	BBGE	
NC1(C(=O)O)CC(NC(=O)/C=C/C(=O)Cl)C1	1991706087	LXTPWQUZGSLFGS-OWOJBTEDSA-N	246.650	-0.631	50	10	BBGE	
OB(O)c1ccc(COCC2COC2)cc1	1993170692	QNLOQUXTFDMQBY-UHFFFAOYSA-N	222.049	-0.471	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]1(C)CCO	1994706013	AHIDOFFTCAAZTL-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1C[C@H](CN(C)CCOCC(=O)NN)CO1	1996343579	XLFZXLRVFDHPRA-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	1996646383	UADFDOVYBRUCDW-XPUUQOCRSA-N	235.052	-0.859	50	10	BBGE	
CC[C@@H](O)CN(C)Cc1nc(C(=O)NN)co1	1999421120	NVWXEHGHODBKPE-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]2(CO)CCC[C@@H]12	2000937616	NAOQTUCRFLEAEQ-KCJUWKMLSA-N	241.291	-0.870	50	10	BBGE	
Cc1ccc([C@@H]2CN(CC(=O)NN)CCO2)o1	2004416099	DCYRTHDAYJRZDU-JTQLQIEISA-N	239.275	-0.049	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](C(F)F)C1	2004934802	IPYPBYMBOGUBLY-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
CC1(C)[C@H](O)[C@@H]2CCN(CCCC(=O)NN)[C@H]21	2008730116	IBBQLSUGJSLDBT-FBIMIBRVSA-N	241.335	-0.152	50	10	BBGE	
CCc1ccn(-c2nc(C)ncc2B(O)O)n1	2012154083	NXMYOHZJIBIJQI-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
Cc1ncn(C)c1CN(C)C[C@@H](C)C(=O)NN	2014922889	XPJKUHDVRTXUCS-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
CC1(C)C[C@H](Cn2cccc(B(O)O)c2=O)O1	2015575047	YADFDYJFELKLHC-MRVPVSSYSA-N	237.064	-0.904	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)N1CCOCC1	2020061384	GWGOWHWPBAWUTE-VIFPVBQESA-N	240.068	-0.871	50	10	BBGE	
Cc1ncncc1CN(C)C[C@H]1C[C@H]1C(=O)NN	2058462371	OXVJUNOYPRXGAQ-MWLCHTKSSA-N	249.318	-0.157	50	10	BBGE	
CCOc1cc(B(O)O)c(C)c([N+](=O)[O-])c1	2060032045	IBCJVKNUMDNBAE-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1ccc(B(O)O)c(C=O)c1OC	2060132973	QRZBOJZAFHDNBS-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1ccc(C=O)c(C#N)c1B(O)O	2060199455	PFDOGJZYZXUQRZ-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
COc1cc(C=O)c([N+](=O)[O-])c(B(O)O)c1	2060276186	NOTFKSTZOJCXHQ-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccccc1B(O)O	2079010124	NNPLVFKHWZOJRU-SNVBAGLBSA-N	243.071	-0.396	50	10	BBGE	
OB(O)c1ccccc1COCc1ncccn1	2080346693	MSFMBVBZKCJVLF-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
C#CCCN(C)Cc1cccc(B(O)O)c1	2211132096	IETARNOZQFZYJJ-UHFFFAOYSA-N	217.077	-0.179	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@H]1C[C@@H](O)C1	2212266799	QNBOFZAZTMPBFZ-DTORHVGOSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1nccc(B(O)O)c1F	2212602897	ABNGRNAIGPWMFK-HTRCEHHLSA-N	224.044	-0.255	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@]2(CO)C1	2215773918	UXQMAHLPGTWURE-BTQIBKBOSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1COCCn1cccn1	2215776341	MEQZZOBAZDAZGH-UWVGGRQHSA-N	238.291	-0.084	50	10	BBGE	
C#CCN(c1cc(B(O)O)ccn1)C1CCC1	2217175170	FNWGULDNKXWAMB-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)[C@@H](C)CO1	2217176526	XIYIOFSBVGLQTQ-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
CC[C@@H](C)[C@H](CO)Nc1ncccc1B(O)O	2217177485	JMKJKIJIYLODCF-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(N[C@@H](C)C[C@@H](C)O)cc1B(O)O	2217179983	PUBYWYQNRZLUNV-DTWKUNHWSA-N	238.096	-0.359	50	10	BBGE	
CC[C@@H](CN(C)C)Nc1cc(B(O)O)ccn1	2217183827	ONEBSFNAZLAMNV-JTQLQIEISA-N	237.112	-0.487	50	10	BBGE	
CC(C)(Oc1ccc(B(O)O)cn1)[C@H]1CCN1	2217187349	WYXHEWBCERSWQG-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)CC[C@@H](N)C1	2217191995	GKXOEGPMTOAKDW-KOLCDFICSA-N	236.080	-0.590	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217202325	JPFKJUWKRAZUBF-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
Cc1ncc(F)c(=O)n1CC1(C(=O)NN)CC1	2217262278	HMKPDWLZTKDJDH-UHFFFAOYSA-N	240.238	-0.539	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1Cc1cccc(B(O)O)c1	2220061225	CUIOFCDTMVKOFT-MFKMUULPSA-N	249.119	-0.288	50	10	BBGE	
COc1ccccc1Nc1ncc(B(O)O)cn1	2223631900	CEUYFXIEMWCCNM-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
Cc1cnc(N[C@H]2CCN[C@@H](C)C2)cc1B(O)O	2223643570	XJXSQEJIORGUCZ-UWVGGRQHSA-N	249.123	-0.378	50	10	BBGE	
CC[C@H]1CNCCCN1c1ccc(B(O)O)cn1	2223645942	CXROQEHCJRVNHD-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@]23CCCOC3)nc1	2223647033	SEAXTDPJURAOCA-PWSUYJOCSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1NCC1CC2(CNC2)C1	2223672824	CKRWPKQUUCTMCR-UHFFFAOYSA-N	247.107	-0.827	50	10	BBGE	
CCC1(Nc2ncccc2B(O)O)CCNCC1	2223676150	WZAVAFVOECGVCK-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
C[C@H](c1cc(B(O)O)cs1)N(C)C#N	2241558821	JFSZTALTOKFBGQ-ZCFIWIBFSA-N	210.067	-0.098	50	10	BBGE	
C[C@H](c1cscc1B(O)O)N(C)C=O	2241560870	XECOZLBTPDTKRH-ZCFIWIBFSA-N	213.067	-0.423	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)C1(B(O)O)CC1	2243365361	LNHMKBDLHJYDNL-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@H]2C[C@H]21	2243376726	OLPUEOSOVKXARJ-POYBYMJQSA-N	237.089	-0.338	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2243390977	DWXYJAKJSLEMMS-MAUMQABQSA-N	229.085	-0.629	50	10	BBGE	
CCCNCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414983	LXUJSPNWZULLLD-KYZUINATSA-N	228.101	-0.645	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243427053	PNYWDPMONCTWDT-XHNCKOQMSA-N	229.085	-0.770	50	10	BBGE	
O=C(NCC1(F)CC1)c1cocc1B(O)O	2244206547	YDVQKZPBFXOPLK-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@]1(C)CCNC1=O	2245142455	VROYGFOHCZDUGD-MLUIRONXSA-N	247.682	-0.282	50	10	BBGE	
O=C(NCB(O)O)c1ccn(C(F)(F)F)n1	2245950198	FYVNIYMIORVRKQ-UHFFFAOYSA-N	236.946	-0.899	50	10	BBGE	
C=C(C)CNC(=O)c1cc(C)cc(B(O)O)c1	2247751829	CSJATHNUEAYXDH-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(NC1CCCCC1)c1c[nH]nc1B(O)O	2247782847	YFOHGOWOSZTQQG-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1C(=O)C1CC(B(O)O)C1	2247797573	KYFVULYPMVLLGJ-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247798763	WYKCKLVJECKJPJ-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
CC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCC(O)CC1	2247806067	DBLOZUQFCAAUQU-GWMJWBFUSA-N	241.096	-0.341	50	10	BBGE	
C=C[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247808255	KIYZSKAOJBAOLM-NGZCFLSTSA-N	239.080	-0.611	50	10	BBGE	
NCC[C@@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2247847735	AZDJZBVATYNGLR-VHSXEESVSA-N	238.096	-0.974	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C(=O)C#CB(O)O	2247851390	DZWMNTBLDTYKKP-JGPRNRPPSA-N	235.092	-0.104	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247854468	CZNCOYAALWGOBQ-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CNC[C@H]21)C1(B(O)O)CC1	2247854969	LKMWXAQYPMTUIW-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)C2(B(O)O)CCC2)C1	2247875700	ATJZMRLFCHYYTR-JTQLQIEISA-N	241.096	-0.386	50	10	BBGE	
NCC1(CCNC(=O)C2(B(O)O)CCC2)CC1	2247878067	HGFPAHHDXAMTIR-UHFFFAOYSA-N	240.112	-0.371	50	10	BBGE	
NCC[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247878932	QIXXOWFNOSAMOO-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)C1(B(O)O)CCC1	2247879148	RFSYJTHAUPZAKX-XHNCKOQMSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CCC1	2247880244	YJSJRQLAEZMLCU-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCNC[C@H]1NC(=O)C1CC(B(O)O)C1	2247901767	AGFLVXZLBVVYSD-AUXWQGHOSA-N	240.112	-0.646	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1CC(B(O)O)C1	2247902231	DBOXFJXPGKWXHG-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1c1cc(B(O)O)ccn1	2251010188	PHODHBMTUIUSPQ-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1cc[nH]n1	2255468202	XJEBEVYZGGCZFH-JTQLQIEISA-N	247.063	-0.521	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(F)cc2B(O)O)C1	2255503706	NVVMIIYHBGUOJL-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2255584486	XATWZYAWNIIDFN-XWEPSHTISA-N	249.079	-0.485	50	10	BBGE	
CCC=C1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255674594	NMZCMGJKGQMYIY-UHFFFAOYSA-N	248.091	-0.123	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@H]2CCC[C@@H]1CC2	2255680774	NXWXGNOZKNCCSD-AOOOYVTPSA-N	248.091	-0.148	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cc1OC	2255728450	GNVPAGQYRFFAMD-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
COc1ccc(C(=O)N2CC[C@@H]2C)cc1B(O)O	2255747596	NUPSHXQVPIOSNR-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255952618	WEVPIBYXDOIEAG-JGVFFNPUSA-N	249.075	-0.542	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1ccc(B(O)O)o1	2257072259	UKYIMONYHMFMDL-JGVFFNPUSA-N	249.075	-0.170	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2298368399	BHQHTOYRMNAEJQ-VGMNWLOBSA-N	241.096	-0.267	50	10	BBGE	
CO[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369307	QDHUVXIOEKVXEF-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298376994	AOSVZGKKIQHMKY-HXFLIBJXSA-N	239.080	-0.731	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377170	GZENEMNNNUQUPY-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
NCC12CC(CCN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2302050273	PAAUQPCLQMCGTK-GWMJWBFUSA-N	238.096	-0.811	50	10	BBGE	
CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	2303099581	PMLHPIHCLSGHIT-NXEZZACHSA-N	242.128	-0.208	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)Cn2ccnc2)C1	2303103440	FDOSXGVMPVXRSI-JTQLQIEISA-N	237.068	-0.652	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2CC=CCO2)C1	2303111586	KRMRPYQFVBNXBE-GXSJLCMTSA-N	239.080	-0.203	50	10	BBGE	
CN(CC(C)(F)F)c1cc(B(O)O)c(F)cn1	2303837383	ZTTBTJCUKJGHPY-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)[C@H]3C[C@H]23)CC1	2309196324	NCGIUSFKQIMHMD-XWLWVQCSSA-N	249.314	-0.153	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308465	KJPZCLGKFIYWFQ-BXKDBHETSA-N	249.075	-0.374	50	10	BBGE	
Nc1nc(N2CCOCC2)nn1C(=O)CCl	34155737	QNQDDHMPCJADGA-UHFFFAOYSA-N	245.670	-0.424	50	10	BBGE	
CC(C)n1cnnc1SCC(=O)NN	37390028	FDHAIZGLHBPKJW-UHFFFAOYSA-N	215.282	-0.059	50	10	BBGE	
Cc1ccn(Cc2cc(C(=O)NN)no2)n1	70687545	JZVQNZFTCJFCPU-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H]1C(N)=O	82466640	MGTJBLMZEVJDTR-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCSC2=O)O1	82471404	YHHPUHUWKMTFLK-NKWVEPMBSA-N	245.304	-0.307	50	10	BBGE	
NC(=S)NNC(=O)c1cscn1	83590932	FNOWEESYJFTKNQ-UHFFFAOYSA-N	202.264	-0.379	50	10	BBGE	
COc1cc(C(=O)O)ccc1OCC(=O)NN	108244548	IJUIMVHJRHLDLD-UHFFFAOYSA-N	240.215	-0.238	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC(=O)CC1	132527830	YQUWRIOKROXKTQ-SSDOTTSWSA-N	201.657	-0.061	50	10	BBGE	
CCOC(=O)/C(C#N)=C(\C)NNC(N)=O	168685002	FWUNMLVUIORRHK-AATRIKPKSA-N	212.209	-0.480	50	10	BBGE	
COC(=O)[C@@H](OC)/C(C=O)=C\CC(=O)O	215705449	MEIGARGKFTVWHZ-LBLVLHIFSA-N	216.189	-0.226	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)CC(C)(C)O	221686840	ALVLSUOPZGGRID-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
O=C1O[C@H](CCl)[C@@H]2[C@@H](O)[C@H](O)CN12	221931823	PFDBLPDEHWWDQS-KAZBKCHUSA-N	207.613	-0.850	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCN(C)C(C)(C)C1	232420210	BWVDRFQQZOKKDG-VIFPVBQESA-N	244.339	-0.983	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC([C@@H](C)O)CC1	233907179	TVWSGWZOBVVPHC-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
Cc1nn(-c2cncs2)cc1B(O)O	238537255	HGGBUUBNMDZYOK-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
O=C(O)C(=O)NNC(=O)c1ccccc1	238668549	ZJMSSPFVGVLOGC-UHFFFAOYSA-N	208.173	-0.468	50	10	BBGE	
CC[C@H](C(=O)NNC(=O)C1CC1)C(=O)OC	276663187	HQQWPYJJYWBUOM-SSDOTTSWSA-N	228.248	-0.257	50	10	BBGE	
CN(C)C(=O)CS(=O)(=O)CCCl	300783058	VQQSHGJNGQZUCH-UHFFFAOYSA-N	213.686	-0.272	50	10	BBGE	
Nc1cc2sccc2c(O)c1B(O)O	306717159	GKZZAXQXMXAXMD-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CN(C)NC1=O	307166826	QCDFTTZMMRMQDX-WDSKDSINSA-N	219.672	-0.677	50	10	BBGE	
Nc1cc2c(N)cc(B(O)O)cc2s1	307422573	BZEWVBYSVBBEKF-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CC(C)C1(O)CN([C@@H](C)C(=O)NN)C1	307449098	ZXSIJJAAIVTNIU-ZETCQYMHSA-N	201.270	-0.933	50	10	BBGE	
CC(C)[C@H]1C(=O)CC(=NNC(N)=O)C1=O	383978543	UNPXUFHFZFGCIH-ZETCQYMHSA-N	211.221	-0.175	50	10	BBGE	
OCCCN(CCO)C[C@@H](O)CCl	385373583	PYLLIKICJZDIJI-QMMMGPOBSA-N	211.689	-0.737	50	10	BBGE	
NNC(=O)c1coc(CN2CCOCC2)n1	386630693	GFUNUAVXESOXNP-UHFFFAOYSA-N	226.236	-0.890	50	10	BBGE	
N#CCc1ccc(B(O)O)c2[nH]cnc12	396075578	AQVCIIPNSQOQRY-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
O=C(O)c1ccc2sc(O)cc2c1B(O)O	396382917	MUMWCZROHXUHNC-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)C[C@@H](C)C(=O)NN	399986062	QWPVZMJBSDRXDG-KUTMEBCESA-N	235.353	-0.689	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401689825	FGEXPHCKZROLQS-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1C[C@@H]2C[C@H]2C1	404989406	ZBOPPZFIVOSPRP-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2CC1(CO)C2	694583936	WKSHGFYYTMCEKA-OQVRZCNBSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H](CO)C1	696797397	SRCJNJFMSJVDBD-JTQLQIEISA-N	243.307	-0.752	50	10	BBGE	
CN(C)NC(=O)C(C)(C)n1cc(N)cn1	698769902	GYQICKDCHWCBIU-UHFFFAOYSA-N	211.269	-0.207	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H]1C1CC1	699061055	JIMHEHLEFVSACY-BDAKNGLRSA-N	246.075	-0.254	50	10	BBGE	
CN(CCCCC(=O)NN)C1CC(C(N)=O)C1	703531628	PCAUPFVNBZLSPO-UHFFFAOYSA-N	242.323	-0.658	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1CCOCCCl	704651395	KTDMRLQVIGZQFF-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
COc1ccccc1NC(=O)NCB(O)O	706437885	FJZOKKUBJHSQCR-UHFFFAOYSA-N	224.025	-0.171	50	10	BBGE	
O=[S@](NCB(O)O)C1CCCCC1	706451802	RCYJNRCSWFVTQO-ZDUSSCGKSA-N	205.088	-0.416	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]21	707904606	FOAALVPADZCZME-BWZBUEFSSA-N	211.265	-0.329	50	10	BBGE	
CC(C)[C@H]1CN(CC(=O)NN)CCO1	708954414	YQRTZYHDLWBCNX-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718901918	VMPCUEKMEYRNNT-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719154110	GMBYIBHJKUZEFZ-MIMYLULJSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([C@@H](C)O)C1	719807485	ODOXRECOZAUJBC-APPZFPTMSA-N	215.297	-0.687	50	10	BBGE	
O=C(NNS(=O)(=O)C1CC1)[C@H]1CCCO1	814216412	KZQIPUYAFZVDSN-SSDOTTSWSA-N	234.277	-0.722	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CC[C@H](OC)C1	823424959	IFSLCOOSMDYCKK-BQBZGAKWSA-N	215.253	-0.238	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NN(C)C(N)=O	1320953935	RVTYFGPRHBYGGP-NKWVEPMBSA-N	215.253	-0.299	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@H](C)NC(N)=O	1327599369	DIUHUDZKKIPINC-LURJTMIESA-N	230.268	-0.763	50	10	BBGE	
O=C(CO)NNC(=O)c1ocnc1C(F)F	1330225939	RUCNIRWQPUBCJK-UHFFFAOYSA-N	235.146	-0.635	50	10	BBGE	
C#CCC[C@@H](O)CNCc1ccccc1B(O)O	1474692648	JUMYDQRJGOIGQD-GFCCVEGCSA-N	247.103	-0.770	50	10	BBGE	
COc1cccc([C@@H](O)C(=O)NNC(C)=O)c1	1624651371	CDRCJPQXTLPEHG-SNVBAGLBSA-N	238.243	-0.104	50	10	BBGE	
Cn1nncc1NNC(=O)C1CCOCC1	1654603527	RSAFEGRNPHLVEM-UHFFFAOYSA-N	225.252	-0.315	50	10	BBGE	
N[C@@H]1C[C@H]1CNC(=O)C=CC(=O)Cl	1877510215	IDRBSJNLZSSHLA-NTSWFWBYSA-N	202.641	-0.229	50	10	BBGE	
COC[C@@H](CN)[C@@H](N)CBr	1880017775	IUWWVZXCSYSYLC-RITPCOANSA-N	211.103	-0.070	50	10	BBGE	
C#CCNCC(=O)NC[C@H]1C[C@@H]1Cl	1883551219	IRRDYHMPMDISHH-SFYZADRCSA-N	200.669	-0.047	50	10	BBGE	
CN1C[C@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1883555521	XSYRLSGSQAZFEB-KDXUFGMBSA-N	204.701	-0.122	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2COC[C@H]21	1886757829	CUBWAQZBKDQILH-PHDIDXHHSA-N	218.640	-0.208	50	10	BBGE	
Cc1c(C=O)cc(B(O)O)cc1CS	1887520725	FSPUUSWUZLZVSM-UHFFFAOYSA-N	210.063	-0.083	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@H]1CCCOC1	1888042415	GLEVZAXEMQZUFP-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
O=C1CN([C@@H]2COC[C@H]2F)CC(=O)O1	1888861972	MIDXJUZPFKUBPB-PHDIDXHHSA-N	203.169	-0.891	50	10	BBGE	
CON(CC(=O)NNC(C)=O)C(C)C	1892436727	VBGBPIOILOCKGK-UHFFFAOYSA-N	203.242	-0.575	50	10	BBGE	
O=C1CCN(C[C@@H]2C[C@H]2Cl)C(=O)CN1	1893098530	JALMEEZUGAUWGL-NKWVEPMBSA-N	216.668	-0.038	50	10	BBGE	
COC[C@@H]1C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1895277972	YSLGUJUZVHEYEU-XSPKLOCKSA-N	225.244	-0.062	50	10	BBGE	
NNC(=O)N1CC[C@@]2(O)CCCC[C@@]2(O)C1	1896879250	HXQXEDLJULFOAU-VHSXEESVSA-N	229.280	-0.688	50	10	BBGE	
OB(O)C1CCN(C[C@@]2(O)CCOC2)CC1	1899600852	VEXLJNUDLPRTNC-JTQLQIEISA-N	229.085	-0.923	50	10	BBGE	
CN(NC(=O)C[C@@H]1CC[C@H](N)C1)S(C)(=O)=O	1901377145	KVONLTJISNRAMI-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	1902364502	JESAMYBRYZZDBW-SNVBAGLBSA-N	217.033	-0.119	50	10	BBGE	
O=S1(=O)CCC[C@H]1CN1CC[C@H](B(O)O)C1	1902513014	OVLDCKIUQODKPU-IUCAKERBSA-N	247.125	-0.888	50	10	BBGE	
C[C@@H](CF)N(C)c1cc(B(O)O)c(F)cn1	1903010802	TUWLVZLCNQBVCY-LURJTMIESA-N	230.023	-0.305	50	10	BBGE	
Cc1ncnc(OCC2[C@H](C)[C@H]2C)c1B(O)O	1908566107	MHNSSFIEFAQIRP-RNFRBKRXSA-N	236.080	-0.254	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@]12COC[C@@H]1C2	1910104104	MXTASZYBAJDSSU-NMLBEHRDSA-N	237.064	-0.760	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](C)S1(=O)=O)C(=O)NN	1912284206	GRYUTSBGCUBNTA-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)C12CCC2	1914396903	SORLURIDNJTIHR-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)C1COC1	1915660923	SEPXMPDVDWCYSS-IONNQARKSA-N	213.281	-0.667	50	10	BBGE	
O=C(O)[C@H]1CCCCC[C@@H]1C(=O)NNCCO	1916155843	IMWOSXOXOHUXBZ-IUCAKERBSA-N	244.291	-0.119	50	10	BBGE	
COC[C@H](Cl)CN=c1nc[nH]n1C	1930284125	XMUIYXRFHKRWSY-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
O=C(NNCCO)C1CC2(CCOC2)C1	1931775602	NFZWPJDNHRURBU-UHFFFAOYSA-N	214.265	-0.584	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1936086338	UPTVJCNSEORBNH-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1936088421	NEKCWKLGFRXUOS-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2CSC[C@H]2C1	1936095190	UUKQPYYYVUAIGF-QEYWKRMJSA-N	241.360	-0.093	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1CCOCC(=O)NN	1941784381	OMWYECIEHRLWDK-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cccnc1	1941785211	STVWOUOREBKIEN-UHFFFAOYSA-N	238.291	-0.480	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1945659832	XBUWBWYHOACRMK-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1954501916	FZJWZICLJRFXGM-DGCAKLBHSA-N	205.641	-0.822	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F	1957875574	QGODRENBHYIMIT-ZTYPAOSTSA-N	215.228	-0.771	50	10	BBGE	
C[C@]12CN(CCC(=O)NN)C[C@]1(CO)C2	1960274022	RKQCXWOHVOZLDI-UWVGGRQHSA-N	213.281	-0.929	50	10	BBGE	
CCC[C@@H](SCCOCCN)C(=O)NN	1961088936	XWDHOEADTJQZBN-MRVPVSSYSA-N	235.353	-0.147	50	10	BBGE	
OCC(CO)[C@@H]1CCN(C[C@@H](O)CCl)C1	1961298988	UNSUNBNFPMOBBC-SCZZXKLOSA-N	237.727	-0.491	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](CCO)C(F)F	1975123739	ZTYHYFMSGDYMTJ-WDSKDSINSA-N	225.239	-0.687	50	10	BBGE	
CC[C@H](C)OC(=O)N[C@H](CB(O)O)C(=O)O	1976980052	SWGFFXBBDUQKRY-NTSWFWBYSA-N	233.029	-0.563	50	10	BBGE	
NNC(=O)C(=O)N1CCCc2ccncc21	1981054348	VZVZRPFFSYWSAM-UHFFFAOYSA-N	220.232	-0.649	50	10	BBGE	
NNC(=O)c1sncc1CN1CC[C@H]1CO	1981734771	UJAQYCRAMJJHND-ZETCQYMHSA-N	242.304	-0.687	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@H](C)OC	1984686799	KCOOSZAUJOHLRY-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986730846	WJBXEHRISJSSKF-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]2OCC(=O)N[C@H]2C1	1986842840	YSNGTBBLWNAOCJ-XHNCKOQMSA-N	243.694	-0.293	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@H](C)[C@H]1C	1990774405	IMLVNMHLLOLQPM-HTQZYQBOSA-N	245.348	-0.021	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]1C(=O)NC1CC1	2003595553	RFJYOWOJOISGCS-SECBINFHSA-N	240.307	-0.891	50	10	BBGE	
COCCC1CN(c2ccc(B(O)O)cn2)C1	2004911616	JESHFEHDBYQOTB-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CCC[C@H]3C2)nc1	2004917024	SWAMGNGJWXRHDD-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cncnc1	2009048814	DORFILHOZDIMDL-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@H]1F	2009200989	DNDOZOMNLUIZSU-HLTSFMKQSA-N	249.286	-0.950	50	10	BBGE	
CC(C)[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	2011676423	KQWNQPVDFQKCTO-BDAKNGLRSA-N	243.307	-0.362	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	2012894889	DWUHSIVZKLTOAS-MYJAWHEDSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cnc(C)c(B(O)O)c1	2014595537	ZPHGDWJPSHJUSA-LDYMZIIASA-N	237.064	-0.516	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)[C@@H](C)CO1	2019210937	OQHJALPADFJNEU-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1Cc2cncnc2C1	2025620765	CPOPKWGUJGSAHT-JGVFFNPUSA-N	235.291	-0.193	50	10	BBGE	
Cc1cnn(C2CN(C[C@@H]3C[C@H]3C(=O)NN)C2)c1	2050891669	MIRHEVXXBSBQES-GXSJLCMTSA-N	249.318	-0.326	50	10	BBGE	
Cc1nnc(NC(=O)c2ccccc2B(O)O)o1	2079007885	BCGAZDRPONJBDC-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](O)C1)c1ccc(B(O)O)cc1	2079008294	HOVZLDDTRKWAOL-MNOVXSKESA-N	249.075	-0.990	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)n1	2086988844	BISTYEDHYKADJN-CDDJKKQXSA-N	246.075	-0.502	50	10	BBGE	
Cn1cn[nH]c1=N[C@H]1COC[C@@H]1Cl	2209296236	QDCYRYQCGVXYJT-WDSKDSINSA-N	202.645	-0.345	50	10	BBGE	
NNC(=O)COCCSCCCCO	2209860941	KYPQKZYCTMHMTM-UHFFFAOYSA-N	222.310	-0.501	50	10	BBGE	
CN(CCO)CC1(C(=O)NN)CCC1	2209998496	HLIWTYAYZIORJU-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
CN1CCC[C@@H](COC(F)(F)C(=O)NN)C1	2211308305	GMDBLHHXGSUEDN-SSDOTTSWSA-N	237.250	-0.073	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@@H]2C1	2211720055	BGXYEZYCRFBPPT-WFGHMNINSA-N	245.706	-0.329	50	10	BBGE	
CCC1(O)CN(CC2(C(=O)NN)CCC2)C1	2212247375	ATJBXQIYWQONKO-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](F)C2)c1F	2212603410	FTPFMHZFYIJTHP-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
CC(C)(CN)Nc1nccc(B(O)O)c1F	2212604901	UDMFVNZAOIHLNP-UHFFFAOYSA-N	227.048	-0.950	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1OCC[C@@H]1C(F)(F)F	2212645824	YRQPERUOSSXVHL-IMJSIDKUSA-N	241.169	-0.347	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(CC(=O)NNC(C)=O)C2	2216681269	LNSWOQKPLDSDTL-GXSJLCMTSA-N	241.291	-0.736	50	10	BBGE	
Cc1c[nH]nc1CNc1cc(B(O)O)ccn1	2217177968	PQCBYJWCBBFUSU-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2ncc(B(O)O)cn2)O1	2217178776	ZMRSWDCUGWNLRQ-VXNVDRBHSA-N	237.068	-0.864	50	10	BBGE	
C[C@H]1CNC[C@H]1CNc1cc(B(O)O)ccn1	2217197770	QOVPMVNUEMWJEZ-IUCAKERBSA-N	235.096	-0.971	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@@]3(F)C2)c1	2217204431	JQOQWEPAQZFWOH-GZMMTYOYSA-N	236.055	-0.300	50	10	BBGE	
C#C[C@@]1(Oc2ncccc2B(O)O)CCCOC1	2223645413	WMJGTZNYOQAUDL-GFCCVEGCSA-N	247.059	-0.677	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H](C)NC2)cc1B(O)O	2223653198	POOMUIRQYYTCIR-NXEZZACHSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCCNC2)c1	2223670407	XLDUKZIQLZRVBY-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
CCSC[C@H](C)NC(=O)C#CB(O)O	2241476778	ZIBKPEZPXYFXCV-ZETCQYMHSA-N	215.083	-0.740	50	10	BBGE	
Cc1csc(C(=O)N(C)C)c1B(O)O	2241495874	NXQLXYUUCWRXMG-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
CC(C)(CN1CC[C@@]2(O)C[C@@H]2C1)C(=O)NN	2242809499	OUDSMKODBOGCKK-LDYMZIIASA-N	227.308	-0.541	50	10	BBGE	
CCCOCCCNC(=O)C1(B(O)O)CC1	2243365924	VABKZOIOBKRMDZ-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
CC(C)(CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383315	WVTVLSMKEXZZJW-OCAPTIKFSA-N	229.085	-0.483	50	10	BBGE	
C#CCN(CC1CC1)C(=O)C1(B(O)O)CC1	2243399307	YPXBYKPSMIQHNK-UHFFFAOYSA-N	221.065	-0.135	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1CNC(=O)C#CB(O)O	2243401585	UFEXBKHTALCXOE-BQBZGAKWSA-N	231.007	-0.591	50	10	BBGE	
COC[C@H](C)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243411325	RJVMLLWBEZAKIG-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)C1(B(O)O)CC1	2243411614	XKCXVKSKMCXWHU-UHFFFAOYSA-N	223.041	-0.028	50	10	BBGE	
COCCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243426027	DDPXJMZPJOVMCN-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CN1CC[C@@H](N2CCC(B(O)O)CC2)C1=O	2244181199	XAVFSNHNHBBAJV-SECBINFHSA-N	226.085	-0.844	50	10	BBGE	
C[C@H](CC(=O)NCCC#CB(O)O)C1CC1	2244545734	BKEXUMUJWOZHOG-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CCCO1	2247751961	GCCPSJLSPYVTSS-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786616	DEEZJBPDIMJGDX-CVPUBMOQSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H](C)CO1	2247787363	OEPOKVNUYNDAKR-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247791061	LANGQYLIASFUKG-KYXWUPHJSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1[C@H]2CC[C@H]1COC2	2247798284	SAPIOJPLQWZCCQ-XKNYDFJKSA-N	239.080	-0.371	50	10	BBGE	
C=C[C@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247799548	FGVUOEXSNVVQNB-FXPVBKGRSA-N	239.080	-0.347	50	10	BBGE	
O=C(N[C@@H]1CC[C@]12CCCO2)[C@H]1C[C@H]1B(O)O	2247810087	UPSDQAITGDVIIC-YSSBGUOXSA-N	239.080	-0.323	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	2247848149	HTCQYDZBELJQTH-OFKSJOQMSA-N	233.076	-0.447	50	10	BBGE	
C=CCN(CC=C)C(=O)c1ccc(B(O)O)o1	2247850477	OULWFYWUNHTXIJ-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2247851589	HBPHLTVOWREZIK-NSHDSACASA-N	236.080	-0.387	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C1CCOCC1	2247854961	LHWPSISIOBEGNG-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1coc(B(O)O)c1	2247870752	PFAQDIUDBFXGHX-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CO1)[C@H]1C[C@@H]1B(O)O	2247898994	JIUMRFUOPDTEOX-CIUDSAMLSA-N	239.080	-0.465	50	10	BBGE	
C[C@]1(C(=O)O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248589044	LIRGAFNGNFHPLU-MATHAZKKSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1ccncc1B(O)O	2248687533	DNWLHHCBECBUAR-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2cocc2B(O)O)C1	2249416841	XVIJMWDCDZNTIR-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
CCN(C(=O)c1cocc1B(O)O)C1CCC1	2249426625	VQEIPWUPSYXACG-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCCN1	2249943451	KBSBWYJEQVAYEZ-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC2(CC(F)C2)C1	2250437220	CYXMJUAKAUGAME-UHFFFAOYSA-N	239.055	-0.354	50	10	BBGE	
C#CCOc1ccc(NC(=O)C#CB(O)O)cc1	2255461765	LYUPZFOSPJMYGO-UHFFFAOYSA-N	243.027	-0.348	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CC[C@H]1C	2255501749	DGRQZNJJARLLHU-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2ncon2)c1	2255511318	HWJAHFYZUWVXKG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(N[C@@H]1CCC12CCC2)c1n[nH]cc1B(O)O	2255546697	IULMBNBTXOQDNT-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@@H]1CCO1	2255682035	ATZNUWGWOUZCQX-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2255683252	TZIIASWNQGTDOE-VDAHYXPESA-N	249.079	-0.314	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ncccc1B(O)O	2255717274	XLTSFKOWFBTOIS-UHFFFAOYSA-N	247.063	-0.959	50	10	BBGE	
CC1(C)CCN(C(=O)c2cncc(B(O)O)c2)C1	2255721996	IWSWOVQRJDXKGX-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2occc2B(O)O)C1	2255738342	RIAVBGKXENUOQQ-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC[C@H]2C[C@H]21	2256017705	TZXYWOLLDMAOLC-OIBJUYFYSA-N	247.059	-0.694	50	10	BBGE	
Cc1nc2cccc(NC(=O)C#CB(O)O)c2[nH]1	2256851293	CJULYQLNFOPMLS-UHFFFAOYSA-N	243.031	-0.175	50	10	BBGE	
NNC(=O)c1cn([C@@H]2CCCC[C@@H]2O)nn1	2296507296	QERVCNPEIOHAKS-SFYZADRCSA-N	225.252	-0.642	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C[C@@H]1CC[C@H]1C(=O)NN	2298166000	LYELXMVYIIMXBE-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)[C@H]1C[C@H]1B(O)O	2298369181	LXQUNPTXSODSLM-JDDHQFAOSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCNC2)C1	2298369288	PLHWWGJRSHEIPK-IQJOONFLSA-N	238.096	-0.939	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2298369547	YDSHWMGQXAZRBR-XAVMHZPKSA-N	241.096	-0.221	50	10	BBGE	
CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369833	GZNQSOSXLZWECG-DOLQZWNJSA-N	241.096	-0.221	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2302494776	KUYPOEFABJCCOS-DCAQKATOSA-N	243.351	-0.049	50	10	BBGE	
CCCCNC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	2303098141	DJFIKDNBAKYPSH-NXEZZACHSA-N	242.128	-0.160	50	10	BBGE	
CC[C@](C)(COC[C@H]1COCCO1)C(=O)NN	2303421456	RSGDHSOYFZQFFR-MWLCHTKSSA-N	246.307	-0.175	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H](C)C(=O)NC)C(=O)NN	2303427367	XRLPYFFXDJFBLF-KWQFWETISA-N	244.339	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306283573	NRQWLGBURIAPTA-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
CCN1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	2307777022	AXPINNPQPVZDAM-RKDXNWHRSA-N	240.307	-0.240	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](Nc1ncc(B(O)O)cn1)C2	2312614989	UPFZQHBGAZDZNX-NGZCFLSTSA-N	249.079	-0.864	50	10	BBGE	
C#CCN(CC=C)c1ccc(B(O)O)cc1C#N	2317152558	CWIHFVMSXLMARP-UHFFFAOYSA-N	240.071	-0.136	50	10	BBGE	
C=CC[C@@H](N)COc1ccc(B(O)O)cc1C#N	2317199636	GTGMNDHYBGYMEM-LLVKDONJSA-N	246.075	-0.480	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])o1	3633783	BWXKDRJYDNKJMI-UHFFFAOYSA-N	215.165	-0.586	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCl	37834215	RNLFQGAQTZEHIF-RITPCOANSA-N	220.656	-0.938	50	10	BBGE	
CCOCC(=O)NNC(=O)c1cnc(C)cn1	66654913	JXSITIMNRVUIGS-UHFFFAOYSA-N	238.247	-0.417	50	10	BBGE	
Cc1ccnn1Cc1cc(C(=O)NN)no1	70687597	ZELLPNWTMVRTSJ-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSCC1	82466610	VWWAUBFWMHHKKU-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
CCN(CCO)Cc1ccoc1C(=O)NN	82468814	CHWXATNLWROKLM-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
COC(=O)N1CCNC[C@@H]1C(=O)CCl	156816093	CJDAETWDOAZRPB-ZCFIWIBFSA-N	220.656	-0.166	50	10	BBGE	
OB(O)[C@@H]1CCCN1C(=S)[C@@H]1CCCN1	169954451	VQMXYVPCSGICBN-YUMQZZPRSA-N	228.126	-0.458	50	10	BBGE	
CC[C@H](CO)NC(=O)C(=O)NCCCl	170359736	ZGIHZDWNMONMKC-ZCFIWIBFSA-N	222.672	-0.772	50	10	BBGE	
CO[C@H]1N=CC=C[C@@]1(Br)B(O)O	199617531	FRBXGPUPVOOSFB-RITPCOANSA-N	233.858	-0.255	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@@H](C)Br	229037262	UPFFGDXIORKNFJ-RITPCOANSA-N	240.097	-0.107	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)CC#N	232419511	YQRKMSYIBHCXOE-JGVFFNPUSA-N	214.269	-0.775	50	10	BBGE	
COC[C@@H](O)CNC(=O)[C@H](C)Br	234710865	LNFZAXVCCNFCHK-WDSKDSINSA-N	240.097	-0.107	50	10	BBGE	
OB(O)c1ccncc1[C@H]1CCCNC1	238630899	DNVCWOHOWWOIPO-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
NCc1cnc(C(F)(F)F)c(B(O)O)c1	238692668	OIIPQTSBPDYHAQ-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCCO1	251490690	GOKNHRRBIWQBET-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@@H](C)C1	300967065	WIPWZXNWEBVTSZ-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CNC(=S)NNC(=O)N[C@@H]1C[C@H]1C	306436964	DXOXELZMYYUBPJ-RFZPGFLSSA-N	202.283	-0.297	50	10	BBGE	
COc1c(B(O)O)ccc2ccncc12	308973096	QAMUWUIVXBMRQO-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
C[C@@H]1CC(=O)N/C(=C(/C#N)C(N)=O)[C@H]1C#N	309059571	ZHIQCKNIGOYCBM-BQYHWIFMSA-N	218.216	-0.455	50	10	BBGE	
Cc1cc(B(O)O)ccc1C1(C(=O)O)CC1	309312403	HPNRMNTVPOGFOR-UHFFFAOYSA-N	220.033	-0.209	50	10	BBGE	
NCC(=O)NNC(=O)c1cc2c(s1)CCC2	309529334	CNCZEKFPVIYRAU-UHFFFAOYSA-N	239.300	-0.044	50	10	BBGE	
COC(=O)NNC(=O)NCCSC	379378550	ANZJUGNOOYLVBF-UHFFFAOYSA-N	207.255	-0.080	50	10	BBGE	
CN(C)C1CN(Cc2ccoc2C(=O)NN)C1	382344379	MGPYSFSVIUPJFJ-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
COC(=O)[C@H]1CN2CC[C@@H](C2)N1C(=O)CCl	383562136	UENNIUYKSINTAK-JGVFFNPUSA-N	246.694	-0.317	50	10	BBGE	
COC(=O)/C(C#N)=C1/NC(=O)CC[C@H]1C#N	383931869	ZHXJBCQKSWJZKB-OQHQPDIQSA-N	219.200	-0.013	50	10	BBGE	
CC(C)C1(O)CN(CCCC(=O)NN)C1	383945277	APXIXOREWHTHEM-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H](N)C1	395590680	JZDOCDLAIFFWAQ-HTQZYQBOSA-N	214.313	-0.576	50	10	BBGE	
CC(=O)[C@H](Cl)c1cccc(O)c1B(O)O	396025094	STICDMJNYULXDG-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
CCC(=O)c1ccc([N+](=O)[O-])c(B(O)O)c1	396057509	VAINEFCBVFDVBL-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
CC[S@@](=O)NCc1ccc(B(O)O)cc1	404926451	KMEKMQNSRPAKHV-OAHLLOKOSA-N	227.094	-0.860	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(B(O)O)cc1C	404956205	XYTHOTVTDCBVLQ-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
OC[C@@H](O)CN1CCN(CCCl)CC1	584643726	HRHBRSDWEDUXEM-VIFPVBQESA-N	222.716	-0.804	50	10	BBGE	
Cl[C@@H]1COC[C@H]1NC[C@H]1COCCO1	690764747	KMOXIODMENJBJY-DJLDLDEBSA-N	221.684	-0.002	50	10	BBGE	
COC[C@@H](C(=O)NN)n1ccnc1C1CC1	704228092	HKRXCACEVJQTPN-QMMMGPOBSA-N	224.264	-0.062	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CCCCC(=O)NN	706207496	QZQVZPHDDHJFHA-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
O[C@@H](CCl)CN1CC(n2cncn2)C1	707661848	ZIHBYTZYIPXTQD-QMMMGPOBSA-N	216.672	-0.266	50	10	BBGE	
Cc1nn(CCOC2CC2)c(C)c1B(O)O	711756376	JAJNQRKSHPKFCF-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1C[C@@H](C(=O)O)CO1	714058659	FRAVDZCIZIPEEK-RNFRBKRXSA-N	231.252	-0.748	50	10	BBGE	
O=S(=O)(CCl)NC12CCN(CC1)C2	715775633	WNCMWBKQGNKKKL-UHFFFAOYSA-N	224.713	-0.050	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259315	LJSSFOXLHWHLDZ-SRQGCSHVSA-N	225.292	-0.526	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)n1	720837581	GTRWUTZJLRLLTK-LPEHRKFASA-N	236.080	-0.480	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(N)on2)CC1	821980483	GXSXCVNXJZXLPJ-UHFFFAOYSA-N	236.231	-0.253	50	10	BBGE	
COC(=O)C[C@H](CNC(=O)NN)C1CC1	851674794	JTXSKGMYLQWQEJ-SSDOTTSWSA-N	215.253	-0.251	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCF	911501976	BWIKRCIAKXUUEC-RQJHMYQMSA-N	218.228	-0.082	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@H]1COCCO1	1136333685	LUDOAZWNMCVCJA-UJICNMFASA-N	240.259	-0.038	50	10	BBGE	
Cc1c(C(=O)NN(C)C(N)=O)nnn1C(C)C	1330397309	GIJQCQIQUHJAKE-UHFFFAOYSA-N	240.267	-0.177	50	10	BBGE	
C=CC(=O)N(C)CC(=O)NNc1ccncn1	1569313802	MGNHWMZAJONOKW-UHFFFAOYSA-N	235.247	-0.436	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)C(=O)OC	1627208469	ZERZQVSIOOSPEI-SSDOTTSWSA-N	215.253	-0.190	50	10	BBGE	
C/C(=C/C(=O)NN(C)C(N)=O)c1cnccn1	1636583257	HZVNXKREPBVGIP-ALCCZGGFSA-N	235.247	-0.078	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ncccn1	1643045724	DOXGIDJKEDDFCJ-SNVBAGLBSA-N	236.231	-0.825	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1cnsn1	1645084023	GHDIEEWENZXWTK-LURJTMIESA-N	244.276	-0.540	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883552801	OKUAWHASHHKOCX-BDVNFPICSA-N	206.673	-0.562	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCOCC[C@H]1N	1884594366	DIFCXCVRILMECY-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@]2(CCOC2)C1	1885212366	QKXJVQWXMHHVKI-POYBYMJQSA-N	201.226	-0.893	50	10	BBGE	
NOCCCS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1893118835	KJBGVFLALRJJNZ-NKWVEPMBSA-N	242.728	-0.187	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1897342091	XGXBOLDMQVIJIB-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
O=C(Nn1cccc1)c1cnsc1B(O)O	1900453656	YBBNJXRPOVBLMQ-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
C#C[C@H](C)Oc1ccc(B(O)O)cc1C#N	1901212827	XDFQXSBTVYOVRR-QMMMGPOBSA-N	215.017	-0.361	50	10	BBGE	
C/C=C/C[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1901338846	DDMYNRIHYYPSGT-JQTRYQTASA-N	249.336	-0.407	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	1901997356	KIMRGLSPMZSJLN-JXUBOQSCSA-N	226.324	-0.611	50	10	BBGE	
CC(C)NC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	1902515695	KEIYZUIMBNFXLP-IUCAKERBSA-N	228.101	-0.552	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCSC2)ncc1F	1903010306	OEJMSTOCJOJNEN-LURJTMIESA-N	242.084	-0.182	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@@H]32)o1	1908818948	DJBXZNLRNRAEOD-APPZFPTMSA-N	237.259	-0.286	50	10	BBGE	
CC(C)[C@@H](N=S1(=O)CCOCC1)C(=O)NN	1913863202	TURATAOFLCFKJM-MRVPVSSYSA-N	249.336	-0.501	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCOCC12CC2	1915586904	CIQHKBQVBRWYJL-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2C[C@H]21	1916276161	OMUFNYSEQFNWKF-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(F)(F)C1	1917281912	PZNKFBZZXSIYIH-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
Cn1cnnc1SC[C@@H]1C[C@H]1C(=O)NN	1927917748	MONSFIZAUIJULM-NTSWFWBYSA-N	227.293	-0.467	50	10	BBGE	
CON(C)Cc1ccc(F)cc1B(O)O	1928681463	ANKVODIASHLVGX-UHFFFAOYSA-N	213.017	-0.501	50	10	BBGE	
C[C@H]1CCOCCN1[C@H](C)C(=O)NN	1929658490	ALERKDUNOZLAHJ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@H](Cl)CF)N1	1930565551	HVVQPIWPLVFWLH-RNFRBKRXSA-N	244.719	-0.155	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CO)C2)CC1	1931260518	OPRJLGDOSOAYCR-QMMMGPOBSA-N	213.281	-0.929	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(CO)C1	1935358239	IRVLGUHWUMDZIZ-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941082488	GTDWKLMDCRUJAD-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@@H](O)C[C@H]1C2	1941085883	FWYUCADZTIGZJH-ISUQUUIWSA-N	239.319	-0.542	50	10	BBGE	
CN(CCn1ccnc1)C[C@H]1C[C@H]1C(=O)NN	1944475433	LQQYUFHBUWYAHY-NXEZZACHSA-N	237.307	-0.559	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C2	1947109529	VQJYBCBWSDQTEF-FYLLDIAZSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@@H]2CCCOC2)O1	1947167350	AFTOSCIDXFYSSZ-UTLUCORTSA-N	244.291	-0.281	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@H]1[C@@H](CO)C2	1951025096	GANRABDRSYCRMX-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CN(C(=O)N1CC[C@H](B(O)O)C1)C1CC1	1951321121	ZDVACBLKJUOCJS-ZETCQYMHSA-N	212.058	-0.251	50	10	BBGE	
O=C(N1CCC1)N1CCC(B(O)O)CC1	1951322198	XTJUSNVDUMGJCZ-UHFFFAOYSA-N	212.058	-0.249	50	10	BBGE	
C[S@@](=O)C1CN(C(=O)CBr)C1	1953326520	ORLBHMKMBJPNTI-LLVKDONJSA-N	240.122	-0.029	50	10	BBGE	
O=C([C@@H]1CCS1(=O)=O)N1CC(Cl)C1	1954056524	JEZFWTZAQDHADJ-LURJTMIESA-N	223.681	-0.377	50	10	BBGE	
C[C@@H](CBr)CN1CC(=O)NC(=O)C1	1954822719	TYMAJZHETBATLL-LURJTMIESA-N	249.108	-0.024	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C[C@@H](O)CCl	1954823030	YWMCDVRSOBSPNR-RQJHMYQMSA-N	208.689	-0.348	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@@H]2COC[C@H]21	1955249143	OKEUMRQMLRUWQN-QYNIQEEDSA-N	241.696	-0.796	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@](O)(CO)C1	1955551261	NNGYRSXXNJGJBF-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
CC[C@H](O)CN(CC)[C@@H](CC)C(=O)NN	1959510524	DLRWMRHBNWCYJV-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCC(F)(F)C2)n1	1959862577	UXFAVPFMJUMHIY-ZCFIWIBFSA-N	215.996	-0.077	50	10	BBGE	
C[C@@H](CN1CCCC[C@H](O)C1)C(=O)NN	1961136680	QVPIQJXXOKGLRM-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCc1ncc(CNC(=O)C(=O)NN)s1	1961356241	YZBUAKFHWJCZQS-UHFFFAOYSA-N	228.277	-0.688	50	10	BBGE	
OB(O)c1cncnc1OC1CCCC1	1961688189	RDJZPZOELOJMAF-UHFFFAOYSA-N	208.026	-0.522	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)ccc1Cl	1968291212	ABLSDKGJQJDEEW-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
C[C@H](CN(C)[C@]1(C)CCOC1)C(=O)NN	1974594810	HPSFTPKNSQIFTL-PSASIEDQSA-N	215.297	-0.277	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H]1CCCS1(=O)=O	1974775057	BXEVKKIQNAOYBI-YUMQZZPRSA-N	249.719	-0.080	50	10	BBGE	
CN(C(=O)NN)[C@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	1976994661	JYWBIOVZHMTMLH-JIGDXULJSA-N	247.320	-0.675	50	10	BBGE	
CON([C@@H](C)[C@@H](C)C(=O)NN)[C@@H]1CCOC1	1978750107	LKKODWYWIAJURL-HRDYMLBCSA-N	231.296	-0.347	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN(CCC(=O)NN)C1	1978976734	GMAWKTNLKAPVSK-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](Cl)CN1CCN(c2nnnn2C)CC1	1980784262	NNJCHVHYGUAGNU-QMMMGPOBSA-N	244.730	-0.041	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)C2)ncc1B(O)O	1981447573	PNHKGFHNVAZMJY-SSDOTTSWSA-N	221.069	-0.689	50	10	BBGE	
NNC(=O)CN1C[C@@H](CO)C2(CCCC2)C1	1982491640	GDKXSIICMNGXMP-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)CCCN1CCOC[C@@H]1C(F)F	1982685564	SKYJGRNYWLXXOW-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CCC[C@H](C)Cn1cccc(B(O)O)c1=O	1984101287	KIZUBBNLJXUZEB-VIFPVBQESA-N	223.081	-0.036	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccoc1C(=O)NN	1985738615	AVRRUKRKFYNMSA-HTRCEHHLSA-N	225.248	-0.552	50	10	BBGE	
O[C@H]1[C@H]2C[C@H](CN(CCOCCCl)C2)[C@@H]1O	1985763276	TZQRPLBSQIFRRP-VLEAKVRGSA-N	249.738	-0.085	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CCOC[C@H]1C(N)=O	1985790577	QRSJNTREFHGPED-SFYZADRCSA-N	248.710	-0.036	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	1985791185	WHNMHYUEMBMEFF-PRJMDXOYSA-N	248.710	-0.302	50	10	BBGE	
CC(C)N1[C@@H](C)CN(CC(=O)NN)C[C@H]1C	1987311986	GBQJYBHLQKTIGI-AOOOYVTPSA-N	228.340	-0.221	50	10	BBGE	
CN1C[C@@H](N(C)C(=O)C=CC(=O)Cl)CC1=O	1991652938	TUVYKAYUYXLNIJ-ZETCQYMHSA-N	244.678	-0.003	50	10	BBGE	
COC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1Cl	1991678584	GMVVGQIUROOYTR-SRQIZXRXSA-N	249.650	-0.254	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	2003754791	PTBSPSHZUDKIST-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@H]1CCCNC1=O	2004308452	CRXJMSSZYIDOOF-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1C[C@@H](OCc2nc(C(=O)NN)co2)CO1	2004761064	GIDIMTKXTQDGIX-RNFRBKRXSA-N	241.247	-0.028	50	10	BBGE	
CC[C@H]1CC[C@@H]1N(C)c1ncc(B(O)O)cn1	2004916085	HPUCPJVLFVPPMD-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
CCc1nc(C)cn1-c1ccncc1B(O)O	2005003998	BLSBNQKXCVVBJC-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CN1CC[C@H](OCc2cc(C(=O)NN)no2)C1	2021072036	NKMVHOSZJXVWKZ-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
Cc1ccc(B(O)O)c(N2[C@@H]3COC[C@H]2C3)n1	2021410171	XJWKIWDJQWNFGX-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
CC[C@@H]1C[C@@]1(N)C(=O)N1CCC(O)(C#N)CC1	2025665897	SXOHGVSSVTVMMX-SKDRFNHKSA-N	237.303	-0.009	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2COC[C@H]2C1	2052493762	FIYARCLTAJRESY-NXEZZACHSA-N	248.091	-0.766	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1COC2CC1C2	2063126015	ZYLASIKPFVRYHL-AMUVOQDHSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1ccc(Cn2ccnn2)s1	2209685745	HEBLHIJOBSOILP-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H](O)[C@H]1CC2)C(=O)NN	2212096754	DSRIVTHPMHCTOC-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
OB(O)c1ccnc(NCCOC2CC2)c1	2212602210	AFLZDLDIRAPDDD-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1ccc(B(O)O)cn1	2212604673	YPFBFTJDPJLBPT-JGVFFNPUSA-N	224.069	-0.667	50	10	BBGE	
CCNC[C@@H](C)Oc1cc(B(O)O)ccn1	2212608111	QBXGIXBRZASUPZ-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1cnc(NC2[C@@H]3CCC[C@@H]23)nc1	2212615882	WDJZIOPIVAUPSS-HTQZYQBOSA-N	219.053	-0.633	50	10	BBGE	
CN(C[C@@H]1OC[C@@H]2CCC[C@H]21)C(=O)C(=O)NN	2213207825	DIFYCDOFAZZSTP-YIZRAAEISA-N	241.291	-0.750	50	10	BBGE	
OB(O)c1cccc(CN2CC=C[C@H](O)C2)c1	2214597742	ZDIZSDCDVCOQOL-LBPRGKRZSA-N	233.076	-0.901	50	10	BBGE	
Cc1nc(OC2C[C@H]3C[C@@H]3C2)ncc1B(O)O	2216577771	SLGYUCLNCBRPDE-HTQZYQBOSA-N	234.064	-0.358	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNc1cc(B(O)O)ccn1	2217178739	AOWMRAPSEOUNBT-RKDXNWHRSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(NC2([C@H](C)O)CC2)cc1B(O)O	2217179871	CHLSZOKBDQEMMC-QMMMGPOBSA-N	236.080	-0.605	50	10	BBGE	
CCC[C@H](N)CNc1cc(B(O)O)c(C)cn1	2217185093	TZUYLMSLCOZVBA-VIFPVBQESA-N	237.112	-0.391	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Nc1ncccc1B(O)O	2217198477	BSTOFZGURGXKNM-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
C=CCC[C@H](CO)Nc1cc(B(O)O)ccn1	2217198671	DYEHZCYHBRFZSD-SNVBAGLBSA-N	236.080	-0.500	50	10	BBGE	
OC[C@H](CC1CC1)Nc1ncccc1B(O)O	2217203143	QHIJSFGMXKPPLJ-VIFPVBQESA-N	236.080	-0.666	50	10	BBGE	
COc1ncccc1Nc1cc(B(O)O)ccn1	2223629663	WGBIFAUTLLMIFI-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
Cc1cnc(N2CC[C@](C)(CN)C2)cc1B(O)O	2223640202	JQSPCLFLLSASJL-GFCCVEGCSA-N	249.123	-0.755	50	10	BBGE	
OB(O)c1ccnc(OC[C@@]23CC[C@@H]2CNC3)c1	2223660509	MGAPMSROSYGMGG-SKDRFNHKSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCC[C@H]2CNC3)nc1	2223669061	FPPVNNGZZPYAQC-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
CCc1nc(CNc2cc(B(O)O)ccn2)co1	2223679823	UXZDFFPZKORJIQ-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@H]1C[C@@H]1C1CC1	2224024474	GRYIWLBUCABHKK-GXSJLCMTSA-N	248.091	-0.641	50	10	BBGE	
CN1CC(NS(=O)(=O)N2CC(Cl)C2)C1	2241347815	GKHDIHCCRJIIDM-UHFFFAOYSA-N	239.728	-0.942	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1C=CCOC1	2241720003	LGWMHYMTOZTRHQ-YFKPBYRVSA-N	208.164	-0.459	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)NCC=CB(O)O)C1	2242934111	JFHHBDXIDNDEJN-OCAPTIKFSA-N	228.057	-0.969	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC(F)(F)C12CCC2	2243123009	PLZLROVZMGTSGG-YFKPBYRVSA-N	233.218	-0.330	50	10	BBGE	
O=C(NCCCCF)c1ccc(B(O)O)s1	2243349543	NABGMEKWJJYYKA-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCOC1	2243365191	JAWVNNGAFQRWSL-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ncon1	2243366177	YGKJKBHZDOJOPV-RXMQYKEDSA-N	225.013	-0.746	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243383572	ZGFCLASCSDAMQO-YIZRAAEISA-N	229.085	-0.628	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@@H]2CSC[C@H]2C1	2243399940	SRPTVAPUCOAEGG-HTQZYQBOSA-N	239.105	-0.740	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccc(B(O)O)s2)[C@H]1C	2243400655	FSEZJZQYLJMVGT-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)OC	2243404137	JUOPYKUOSSYDHQ-HRDYMLBCSA-N	229.085	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]1C1CCCC1	2243404139	JUZHLLJMEHPTKX-JTQLQIEISA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1occc1B(O)O	2243411007	MAPYXAYQAJWSIG-POYBYMJQSA-N	223.037	-0.560	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1csnc1B(O)O	2243413040	YKKMEYDGUHYUQT-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
CC(C)[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2243413859	OQHDDBDRRSPKAG-AMDVSUOASA-N	229.085	-0.628	50	10	BBGE	
O=C(NC1(CCO)CC1)[C@H]1C[C@H](B(O)O)C1	2243414841	IZEKDBBBCDIOEI-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
C#C[C@@H](CCC)NS(=O)(=O)CC(=C)B(O)O	2243427448	VPJOUBCSXWLVGC-VIFPVBQESA-N	245.109	-0.724	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOCC[C@@H]1N=C=O	2243976858	LUEHEGFHLYEYQH-MRVPVSSYSA-N	249.292	-0.823	50	10	BBGE	
CC[C@H]([C@H](C)CN(C)C)N(C)CC(=O)NN	2245098194	NZJZBSZJXKNXLB-NXEZZACHSA-N	230.356	-0.116	50	10	BBGE	
O=C(NCc1ccco1)c1ccc(B(O)O)o1	2247738177	NXSJKQYCFDAJRS-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1ccc(B(O)O)o1	2247740691	OBCMIXKEITXESA-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1ccc(B(O)O)o1	2247741924	HZHMXLXCLAKYQO-WRWORJQWSA-N	235.048	-0.368	50	10	BBGE	
CC(C)n1nccc1CNC(=O)C#CB(O)O	2247742607	RBLPBEILRWQQQQ-UHFFFAOYSA-N	235.052	-0.904	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1occc1B(O)O	2247750917	PWTSIGQPTQCKPI-HQJQHLMTSA-N	235.048	-0.368	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247755202	HUEQYBUXKZHYRH-HTQZYQBOSA-N	241.096	-0.077	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H](O)C[C@H]1C2)C1(B(O)O)CC1	2247755397	JSEGHYRNCBYDIH-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C(=O)C1(B(O)O)CC1	2247755478	IHHGHQYNINXCLZ-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1c[nH]nc1B(O)O	2247781485	LIBIIFLUSKWOSW-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1CNC2(CCC2)C1)[C@H]1C[C@H]1B(O)O	2247793052	WDGODVGBXZBBQH-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804517	HCFOFMDSJZGBDL-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCOCC1	2247805064	ARIZSLSUCKNDPN-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247807474	IHVCNSZDARFQBO-XFWSIPNHSA-N	238.096	-0.988	50	10	BBGE	
Cc1ccc(N)cc1CNC(=O)C#CB(O)O	2247849468	AFAQMTBRHKFUHI-UHFFFAOYSA-N	232.048	-0.791	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]2C[C@H]21	2247850278	MHTGHPRWYZUUDC-OIBJUYFYSA-N	234.064	-0.681	50	10	BBGE	
CC12CC(CN1C(=O)c1occc1B(O)O)C2	2247853306	JWLMBNLJWQCFQE-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(C)cc1B(O)O	2247853909	UIVFTSRKJZXVEO-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
CC(C)C[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2247856313	HMBLGMSVZAIGKG-SECBINFHSA-N	243.112	-0.093	50	10	BBGE	
C=CC1(NC(=O)c2cncc(B(O)O)c2)CC1	2247873917	HMFLBXVWNYMSNJ-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
O=C1N(C(=O)C2(B(O)O)CC2)CCC12CCC2	2247879535	UIFINBXJZKBLSW-UHFFFAOYSA-N	237.064	-0.077	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247894284	FEVVXKFJWAWXRO-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCN[C@@H]2CC[C@H]21	2247902422	FAZIIRFDOHUQGZ-YDYPAMBWSA-N	238.096	-0.798	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248577698	OGJZKXKWHVMRND-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248579247	YYCMZLFOLPAMDB-RNJXMRFFSA-N	243.068	-0.439	50	10	BBGE	
O=C(NCCCC1CC1)c1cocc1B(O)O	2249424506	UFRAYXFIYABTLT-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@@H]2N1c1ncncc1B(O)O	2254287885	IJDUSBCWKAHNGB-KKZNHRDASA-N	247.107	-0.076	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)oc1C)C1CC1	2255448006	AGONTUPUCGCWKK-JTQLQIEISA-N	247.059	-0.591	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2255453024	DIKOREPIEZQBFO-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1COc2ccccc2C1	2255468186	XFWRRNYCWLFFSZ-SNVBAGLBSA-N	245.043	-0.878	50	10	BBGE	
NC(=O)c1cccc(NC(=O)C2(B(O)O)CC2)c1	2255484998	NTULNRYUTPQZBS-UHFFFAOYSA-N	248.047	-0.269	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]3C[C@H]32)n1	2255493443	YZYRMFMEVSZNBT-WCBMZHEXSA-N	246.075	-0.696	50	10	BBGE	
CC=CCNC(=O)c1ccc(OC)c(B(O)O)c1	2255500477	KBECHPCTNNLXJV-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1cncc(B(O)O)c1	2255520943	QIBUBHVICNFFSH-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2c[nH]nc2B(O)O)C1	2255549370	GPCKOHNLKCVJMT-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cc(B(O)O)c[nH]1	2255671199	NWNXQUJIUXPIPO-JEEPJHCNSA-N	246.075	-0.921	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255679371	HBAGBGLRDBMCEP-UFBFGSQYSA-N	248.091	-0.433	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2255725127	KVXCORSUTUUJBQ-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cccc(F)c1B(O)O	2255725910	ZTUOCNJKZXWTHR-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ncc(B(O)O)cn1	2255771280	YJSYMNBHQBWZTK-OCAPTIKFSA-N	249.079	-0.831	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1nccnc1B(O)O	2256069541	NPXQJQBUMLGUNV-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1cocc1B(O)O	2258122760	GXNMXXSCVORYIV-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCCC[C@H]21	2258136748	NGNZPXFRDWQMSO-LDYMZIIASA-N	249.075	-0.026	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ncc(B(O)O)cn1	2260399942	IYVSEYSEENGCLG-QMMMGPOBSA-N	249.079	-0.902	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368361	ADOOKQVCVRSIQJ-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CN1CC[C@@H]1COCc1ccccc1B(O)O	2299045830	DNDPDDPUWCCBFK-LLVKDONJSA-N	235.092	-0.413	50	10	BBGE	
C[C@@]1(N)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(F)F	2299952518	HYZDQLQBBQIYMD-ATRFCDNQSA-N	248.038	-0.956	50	10	BBGE	
C#CC1(Nc2ccc(B(O)O)cc2C#N)CC1	2301345566	HOTJBCAAJYZZIZ-UHFFFAOYSA-N	226.044	-0.184	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	2303422079	GSQWHQUGMCBOKY-XNDJQWLSSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@]2(CO)C1)C(=O)NN	2303424287	PZHMEDGBMDSFKF-ADEWGFFLSA-N	241.335	-0.293	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1n[nH]cc1B(O)O	2312849523	BIFCXMUNIDIAPQ-PRJMDXOYSA-N	249.079	-0.992	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1CCNCC1	2317211291	JXUJKTVNUCJUJS-UHFFFAOYSA-N	246.075	-0.631	50	10	BBGE	
NC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	6293285	ODECUMYAQINPTO-IUYQGCFVSA-N	228.726	-0.776	50	10	BBGE	
O=C(CBr)N[C@H]1CCCNC1=O	82511059	PKCMHQLQMDSPBU-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
CN(C)CCCN(C)CCCC(=O)NN	82544096	GQLFMOZUQJORLB-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSCCCO)O1	85164574	MIOKWIXZFYCFIL-SFYZADRCSA-N	234.321	-0.361	50	10	BBGE	
C[C@@H]1CN2CCCC[C@@H]2CN1CCC(=O)NN	94444464	CPAPDBLOVKEXOM-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
COCCCNC(=O)C(=O)NCCCCl	170338580	GXSGVAJLAIERTK-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
NNC(=O)NCCN1CCSCC1	230946056	MPBLSSYRWXKPIA-UHFFFAOYSA-N	204.299	-0.792	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@H](C)CN(C)C	232268009	SMOUWZHRVHKLSB-BDAKNGLRSA-N	216.329	-0.363	50	10	BBGE	
COC[C@@H](OC[C@H]1CCOC1)C(=O)NN	232418346	YGOFUBILNBBAMT-JGVFFNPUSA-N	218.253	-0.956	50	10	BBGE	
COC[C@@H](Sc1nccc(O)n1)C(=O)NN	232421308	FZRCIHNLWVJTDS-RXMQYKEDSA-N	244.276	-0.721	50	10	BBGE	
CSCC[C@H](NC(C)=O)C(=O)NN	238365089	VEAWRDWRBWOHCL-LURJTMIESA-N	205.283	-0.766	50	10	BBGE	
C[C@@H](C#N)c1ccc2c(c1B(O)O)OCO2	260163677	MHJRTBFOAOYDIO-LURJTMIESA-N	219.005	-0.278	50	10	BBGE	
COC[C@H](OC1C[C@@H](C)O[C@H](C)C1)C(=O)NN	300017875	DTZGHSAVZUCMBB-MRTMQBJTSA-N	246.307	-0.036	50	10	BBGE	
C[C@@H]1[C@@](C#N)(N=C=O)CCS1(=O)=O	306327328	VRJDNYBYBGTYAY-RNFRBKRXSA-N	200.219	-0.208	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1CN(C)C1	307282240	KPHPUVPQTXNVPW-RXMQYKEDSA-N	219.672	-0.247	50	10	BBGE	
CC[C@@H](C1CC1)N(NC(C)=O)C(=O)C(N)=O	309503953	JJQOJOPCEBHYBK-QMMMGPOBSA-N	227.264	-0.460	50	10	BBGE	
CCS[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	382902872	UGAPTZWFJMUSJN-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
COc1ccc(B(O)O)c(CCC(=O)O)c1	396034369	SURXHKXQQFEJKV-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
N#CCc1cccc(CCC=O)c1B(O)O	396141385	ZTZCNWVSFCLYJQ-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1COC(C)(C)C1	396567055	WCKARCKTQYBCDG-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
N[C@@H](CCCCCCB(O)O)C(=O)O	396749673	PPYCAJLFHWFBRZ-ZETCQYMHSA-N	203.047	-0.178	50	10	BBGE	
O=C1CN(CC2=CCOCC2)CC(=O)O1	397690344	ADUSVVXVOAMUKF-UHFFFAOYSA-N	211.217	-0.282	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CC[C@H]1C	399428757	QJOZLIYTLNBRDY-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
C#CCOC(=O)NCc1cc(B(O)O)cs1	405127768	DUEBEZJKMKJFKV-UHFFFAOYSA-N	239.061	-0.713	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)C(=O)NN)[C@H]1CO	688738643	PNLTZDIRAVDTKO-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CC2(F)F)c1	691222354	MAZRVIPQMHDJNQ-ZCFIWIBFSA-N	228.991	-0.205	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2CC1(CO)C2	694583808	VCOMDWQBGZUGPM-INWMGODYSA-N	227.308	-0.398	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](CC(C)C)C(=O)NN	695062952	SONVIUKNHNGGIH-VIFPVBQESA-N	244.339	-0.412	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N2CCCCC2)C1	697752103	WXIKFXIRMDLTAJ-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](CO)C1	700399960	VTAXSKQUOVIRME-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CN(CCn1cnnn1)[C@@H]1COC[C@@H]1Cl	712594563	QHMRMSIPHVEQCE-JGVFFNPUSA-N	231.687	-0.389	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721714268	GHJRTUYWYWEPCK-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
N#Cc1cnn(Cc2nsc(C(=O)NN)n2)c1	724347824	PFISCFSPGBXZQF-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
O=S(=O)(NCCCl)C1=NCN=C1	725595156	BPSZZZLEWMAANU-UHFFFAOYSA-N	209.658	-0.415	50	10	BBGE	
O=C1CCN(C(=O)CCl)CCCN1	725620466	GQRLLZVYJJKFLO-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
COC(=O)N1CCCc2ccc(B(O)O)cc21	725700022	HOPFVDXPBHSAOQ-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
COCC(=O)NN=C1CC(=O)N2CCC[C@H]12	799484090	TXJABJYAOGZEOL-MRVPVSSYSA-N	225.248	-0.500	50	10	BBGE	
CC(=O)NNC(=O)c1cn(C2CCC2)nn1	843749693	AMOMTRGHGAUFIV-UHFFFAOYSA-N	223.236	-0.216	50	10	BBGE	
C#CCC(C)(C)C(=O)NNC(=O)c1cn(C)nn1	855187373	UQKPDXVMORIEFO-UHFFFAOYSA-N	249.274	-0.374	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NCCCSC#N	908031586	CDNLBXBWYKPHPH-ZETCQYMHSA-N	232.305	-0.161	50	10	BBGE	
CNc1cnc(C(=O)NN(C)C[C@@H](C)O)cn1	910148184	YBEOMBLFTHHUHI-SSDOTTSWSA-N	239.279	-0.524	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cn(C)ccc1=O	1297676793	SQJKIXHWYLDOSQ-UHFFFAOYSA-N	239.231	-0.272	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H](C)CC(N)=O	1542404774	VGKXWQVICUWPJR-LURJTMIESA-N	230.268	-0.762	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1ncncc1F	1641589240	MJEKWVYLSFKHJX-XDVGHUOJSA-N	226.211	-0.004	50	10	BBGE	
NS(=O)(=O)c1nnc(NC(=O)F)s1	1882788137	TVLVEJYGYYJVIZ-UHFFFAOYSA-N	226.214	-0.313	50	10	BBGE	
NCc1n[nH]c(=NC[C@@H]2C[C@@H]2Cl)o1	1883555608	YBHLLOJRPIGIFY-WHFBIAKZSA-N	202.645	-0.011	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC[C@@H]2C[C@H]2Cl)C1	1893098794	KUFZAXCYWOYPAI-YWIQKCBGSA-N	239.724	-0.639	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c1	1895077731	NFBYXMXQDPDZEH-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1CC=CCCl	1900163906	AEVIVZIYPYMZIQ-HLTSFMKQSA-N	221.684	-0.820	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2COCCCO2)C1	1902518550	UKECTMWNFWLGBM-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
OB(O)c1csc(CN2CC(C3CC3)C2)n1	1902639031	KSYGLZNNWQLZKW-UHFFFAOYSA-N	238.121	-0.335	50	10	BBGE	
C[C@H](F)CCN=c1cc(B(O)O)c(F)c[nH]1	1903011212	YHWXGTQBSBELFR-LURJTMIESA-N	230.023	-0.518	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CC(=O)NC1=O	1905558710	LCUUTEYNGODYII-CRCLSJGQSA-N	218.640	-0.607	50	10	BBGE	
CS(C)(=O)=NCc1ncccc1C(=O)NN	1913511856	ATOQVYNEPFHSDF-UHFFFAOYSA-N	242.304	-0.087	50	10	BBGE	
O=S1(=NCc2ccccc2B(O)O)CCC1	1913858989	NFDPBGLKRDUCAG-UHFFFAOYSA-N	239.105	-0.262	50	10	BBGE	
C[C@H](N=S1(=O)CCOCC1)[C@H](C)C(=O)NN	1913860918	GKELVYLGDAOXMF-YUMQZZPRSA-N	249.336	-0.501	50	10	BBGE	
COC[C@H](O[C@]1(C)CCOC1)C(=O)NN	1928533650	HFLUEARGERYNFY-IONNQARKSA-N	218.253	-0.813	50	10	BBGE	
N#CC1(O)CCN(CCC2CNC2)CC1	1928977354	XABGKWGVNISRRP-UHFFFAOYSA-N	209.293	-0.054	50	10	BBGE	
CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)CCl	1931647709	POCDVEWVWNTONH-BQBZGAKWSA-N	242.728	-0.569	50	10	BBGE	
NNC(=O)C(=O)NCCC1CC(F)C1	1932740881	XELPIQKJOYIAHD-UHFFFAOYSA-N	203.217	-0.769	50	10	BBGE	
CS(=O)(=O)CCNC[C@@H]1COC[C@@H]1Cl	1933391845	IXNMCCILJMGYJQ-SFYZADRCSA-N	241.740	-0.126	50	10	BBGE	
CCCNC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1936093547	FPSJIKJSOPOUAY-JGVFFNPUSA-N	245.348	-0.128	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1938364378	DIBMHTGZOICJKZ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941287522	GPTPKZLHEWNODL-GWOFURMSSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CCC1=O	1943000995	VFAODFCCUXLMSZ-UHFFFAOYSA-N	233.271	-0.049	50	10	BBGE	
CN(C)NC(=O)NC[C@H](C(=O)O)[C@H]1CCOC1	1944996106	NXKBVRXZUIKYFX-YUMQZZPRSA-N	245.279	-0.501	50	10	BBGE	
Cc1nn(C[C@@H]2OCC[C@H]2C)c(C)c1B(O)O	1947085449	AKMWYFIVBMZEOC-XCBNKYQSSA-N	238.096	-0.395	50	10	BBGE	
CN(Cc1cnn(C2CC2)c1)C(=O)C(=O)NN	1947538967	WNIFCNDUXCOAIE-UHFFFAOYSA-N	237.263	-0.834	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1CC1(C(=O)NN)CC1	1950223126	LIFPOLKVHKQPQS-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@@H](C)O	1954249799	IOZGQELRGDEAPM-PHDIDXHHSA-N	224.351	-0.178	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1958774649	JHQVRXVBTNHUCQ-NXRLNHOXSA-N	233.695	-0.186	50	10	BBGE	
CN1C(=O)N[C@H]2CN(C(=O)CCl)CC[C@@H]21	1961457387	UAVZPCMSVNVIGD-BQBZGAKWSA-N	231.683	-0.150	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1961581305	AMWCOZKBTQZWGX-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
OB(O)c1cnccc1N1CC(F)(F)C1	1961691462	OUJRBWWEWMQXGT-UHFFFAOYSA-N	213.980	-0.783	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CCC(=O)NC1=O	1962393523	QVKUAAONXDMLMP-NTSWFWBYSA-N	232.667	-0.075	50	10	BBGE	
Cc1nc(NN)ccc1C(=O)NN(C)C	1975153455	AMVCPQOHWXABMQ-UHFFFAOYSA-N	209.253	-0.118	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ncon1	1976755253	HWYJAXPBISMTIW-MRVPVSSYSA-N	227.268	-0.484	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	1976757993	JTTIQFLUVSHXKC-RNJXMRFFSA-N	227.264	-0.950	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1N(C)CCC(=O)NN	1980816150	DYXBHUJERYIICN-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(F)(F)[C@H]1C	1981248643	MXUGHSFVZJMZHR-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CCOc1cnn(-c2nc(B(O)O)cs2)c1	1981454986	SDDNBJWTURLFSA-UHFFFAOYSA-N	239.065	-0.593	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@H]2C)c(B(O)O)c1	1981529029	AFZTVWULRHIOLY-SCZZXKLOSA-N	220.081	-0.086	50	10	BBGE	
Cc1ccnc(O[C@H]2CC2(F)F)c1B(O)O	1985883924	LXDXJWMUPYWIAQ-LURJTMIESA-N	228.991	-0.144	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1CN2C	1987530309	VPSDNARXMXUACG-QEYWKRMJSA-N	226.324	-0.611	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@H]3CC[C@@H]3C2)c1	1988175676	PGLDIKBRENVZIH-OWUUHHOZSA-N	220.081	-0.001	50	10	BBGE	
CN(C[C@]1(C)CCCOC1)C(=O)C(=O)NN	1988675263	GRJWEOWNXXTJBG-JTQLQIEISA-N	229.280	-0.749	50	10	BBGE	
CC(C)(CN1CC[C@H]1C(C)(C)O)C(=O)NN	1989119102	QUZPDNYTGSLKAL-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1990041546	STTVTGIUDULLED-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](Cn2cncn2)O1	1990165197	WHCSYEPRTNXNMT-HTQZYQBOSA-N	225.252	-0.794	50	10	BBGE	
Cc1nc(CN(C)CC(F)(F)C(=O)NN)no1	1997751958	HECJRPUNFRNDFH-UHFFFAOYSA-N	249.221	-0.565	50	10	BBGE	
CC1CC(CO)(N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	2000584415	BQNOBZVXTCLXER-QLWZBITOSA-N	241.335	-0.295	50	10	BBGE	
Cn1ncc2c1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2003025906	ASODOALXFJENNH-APPZFPTMSA-N	235.291	-0.638	50	10	BBGE	
CC[C@]1(CO)COCCN1[C@@H](C)CC(=O)NN	2003264337	JJYHHDVRFXBNQC-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CCCN([C@H](CC)C(=O)NN)[C@@H]1CCNC1=O	2004315420	ZFKRDJOGYMSXGA-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
COC[C@H](C)CN(C)c1ccc(B(O)O)cn1	2004918371	KWXOEINGCMWCPG-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@@H](C)CO1	2004935919	RTJIWIMITHMAPG-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(CCC(F)(F)C(=O)NN)C2	2008884137	ZWQCKKJUMPXWGJ-CBAPKCEASA-N	249.261	-0.135	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1CCOCC(=O)NN	2011349996	XSNBERNHAKJMCI-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@@H]1CN2C[C@H](C)C(=O)NN	2014230655	QIBKKIQFKUHVHF-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014825785	SQPFVYSDHFDYNH-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2C[C@@H]2C)ncc1B(O)O	2015729539	INMWCOZDUWVQLE-CAHLUQPWSA-N	235.052	-0.941	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2017284806	BZVWQMPVACJOII-YWIQKCBGSA-N	249.261	-0.566	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H](O)C12CCC2	2023235853	FTUFVDCUUGAKSR-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
CC(C)C(=O)N1CCc2ccc(B(O)O)cc2C1	2032569005	IPMMPADJRZFKRS-UHFFFAOYSA-N	247.103	-0.093	50	10	BBGE	
Cc1nn(Cc2ccncc2F)c(C)c1B(O)O	2033940604	SADJAKFMPIBSER-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@]12CC[C@H]1C2	2039754288	DADRFQNKSVWKMU-GXFFZTMASA-N	245.087	-0.217	50	10	BBGE	
COc1cc(B(O)O)cc(C#N)c1OC(F)F	2060303818	YIQOBJQMVKELJT-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
Cc1cnn(C)c1C(=O)N[C@@H]1CCC=C1B(O)O	2076076143	KSGWOOOJZQXMLN-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
OB(O)c1cscc1COC1COC1	2209703931	XISLYYOMSOMILL-UHFFFAOYSA-N	214.051	-0.657	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@H](O)[C@@H]1C	2211249113	GZAIVPCNJQZOGF-RGOKHQFPSA-N	229.324	-0.154	50	10	BBGE	
CCN(C[C@H]1CC[C@H]1C(=O)NN)C1COC1	2211839010	OOQPNNXEXSWOPW-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CSC[C@@H]1Nc1ncc(B(O)O)cn1	2212602289	BKLIUJJCQZJVIX-SVRRBLITSA-N	239.109	-0.680	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNc1ccc(B(O)O)cn1	2212604926	UUFCVZYHEGCRME-XCBNKYQSSA-N	224.044	-0.079	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1cc(B(O)O)ccn1	2212611384	ZYCASFMVXJSBPO-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
OB(O)c1ccc(NCc2nncs2)nc1	2212615232	LYGGYPDJSDNDNM-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
Cc1ccn(CC2(C(=O)NN)CCOCC2)n1	2216861897	ABRMGQJXUMXDHK-UHFFFAOYSA-N	238.291	-0.022	50	10	BBGE	
Cc1cnc(N[C@@H]2CN[C@H](C)C2)cc1B(O)O	2217183851	LFWCAFMVBTUPIP-BDAKNGLRSA-N	235.096	-0.768	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCOC1	2217194495	ADBNQPSZMQCJNI-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CC[C@@H]2C[C@H]21	2217197447	MPGSANLWTUCTHI-FBIMIBRVSA-N	232.092	-0.004	50	10	BBGE	
CO[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@@H]1C	2217198596	DEQLLJWOCJWYLL-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCCO1	2217203961	CJZLELJDSYLLAL-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1COC2CC1C2	2223667139	QFRFWJWGGJBQEM-HWOCKDDLSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H](c1cscc1B(O)O)N(C)C=O	2241560865	XECOZLBTPDTKRH-LURJTMIESA-N	213.067	-0.423	50	10	BBGE	
COC(=O)[C@@H](O)CN[C@H]1C[C@H](Cl)C1	2241653308	GLXDTQZRSLZGOD-ACZMJKKPSA-N	207.657	-0.120	50	10	BBGE	
CCC1(OCCCC(=O)NN)COC1	2242119463	UIGIDQAQPKJNBV-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
CC[C@]1(NS(=O)(=O)CCl)CCNC1=O	2242174402	XNIFTGQOCOGQDH-ZETCQYMHSA-N	240.712	-0.229	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)cs1	2243385934	RFSFGAQIDBAIAV-SVRRBLITSA-N	239.105	-0.092	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CC2)CCCOC1	2243397423	BAKJUAZYQUPWCJ-SECBINFHSA-N	227.069	-0.321	50	10	BBGE	
C[C@H]1CC(F)(F)CCN1C(=O)C#CB(O)O	2243400670	FYQWAABQNNGRCQ-ZETCQYMHSA-N	231.007	-0.352	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]2C[C@@H]1C2	2243400876	JBHCSDDPZDDKCM-KXUCPTDWSA-N	221.065	-0.351	50	10	BBGE	
CS(C)(=O)=NC(=O)c1ccccc1B(O)O	2243407352	QCBLYCVDDGDGCR-UHFFFAOYSA-N	241.077	-0.766	50	10	BBGE	
NC[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243411332	RNHMMCJHFNVYHG-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
CCC=CCNC(=O)c1sncc1B(O)O	2243415488	VZMLILGVEHQHHP-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@H](CCN)N(C)C(=O)C1CC(B(O)O)C1	2243418031	ZIDVOSDHNPLMEC-AFPNSQJFSA-N	228.101	-0.565	50	10	BBGE	
C=C(CS(=O)(=O)Nc1cc(C)on1)B(O)O	2243419705	FHXCSWHMMNXNAA-UHFFFAOYSA-N	246.053	-0.707	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)[C@H]1C[C@@H]1B(O)O	2243419775	GIEMPWOXGJSDHU-KZVJFYERSA-N	227.069	-0.874	50	10	BBGE	
C[C@H](CN(C)C(=O)C1(B(O)O)CC1)C(=O)O	2243753420	UWIYOZRYSAFHJD-ZCFIWIBFSA-N	229.041	-0.828	50	10	BBGE	
Cc1nocc1C(=O)NCCC#CB(O)O	2244551269	CDUOZODRQPJFDP-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)C#CB(O)O)C(F)F	2244587571	LLIGRYGEZGYAJF-SVRRBLITSA-N	233.023	-0.202	50	10	BBGE	
C#CCCN(C)c1cc(B(O)O)c(Cl)cn1	2245913838	YXMWJOCDRYFAMB-UHFFFAOYSA-N	238.483	-0.126	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1C[C@H]2CC[C@H]1O2	2247747562	PDLNQVONODBOLW-OPRDCNLKSA-N	237.064	-0.924	50	10	BBGE	
O=C(N1C[C@@H](O)C[C@@H](F)C1)C1(B(O)O)CCC1	2247758226	UNSJMTAAHFIXSN-SFYZADRCSA-N	245.059	-0.685	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1nc[nH]n1	2247788039	YHZZRFBOEAHWJH-QYNIQEEDSA-N	238.056	-0.765	50	10	BBGE	
Cc1cc(C(=O)Nc2cc[nH]n2)oc1B(O)O	2247788738	KKMYKXRTFBRDFA-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247800454	PGVGAMGQXNAQLA-QCLAVDOMSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247873095	DXJVOPRKEKREJY-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
COC[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247877134	CHNQEIHRDPWJDK-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
COC(OC)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247878604	ORBVWCUVHJCTPW-SSDOTTSWSA-N	245.084	-0.493	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(C)c(B(O)O)o1	2247890910	DMNBSPUYOWDUGU-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C(C)(C)CCO	2247893266	OYQJHQHTLVZUIH-UHFFFAOYSA-N	243.112	-0.141	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247895229	QCRFWLDWSBEXCI-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
Cc1c(C(=O)OC(C)(C)C)c(B(O)O)nn1C	2247951070	OMPRONKQPBZAAD-UHFFFAOYSA-N	240.068	-0.636	50	10	BBGE	
CN1CCOC[C@H]1CN1CCC(O)(C#N)CC1	2248056895	KCPNDMPDYKAJQE-LLVKDONJSA-N	239.319	-0.333	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ccccc1B(O)O	2248479185	PWZKOUOWDZCHHO-VIFPVBQESA-N	231.060	-0.036	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)co2)C1(F)F	2249417448	GMLWNDDUJZDWOF-FBCQKBJTSA-N	244.990	-0.657	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1cncc(B(O)O)c1	2255516116	HYAROCWKJUUNKC-JGPRNRPPSA-N	246.075	-0.710	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ncccc2B(O)O)C1	2255516723	PHCIVEVUWIFYLP-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
CCCC1(NC(=O)c2ncccc2B(O)O)CC1	2255519532	YKXZQRXYWFSICN-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1n[nH]cc1B(O)O	2255552693	ONELTRFGWTUARE-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
C[C@@](CO)(NC(=O)C#CB(O)O)c1ccccc1	2255672470	HWRUDJRCPMGCEC-LBPRGKRZSA-N	247.059	-0.974	50	10	BBGE	
N#CCOc1ccc(NC(=O)C#CB(O)O)cc1	2255679840	JMSHSYYYEXHOGZ-UHFFFAOYSA-N	244.015	-0.457	50	10	BBGE	
COc1ccc(C(=O)N2CCCC2)c(B(O)O)c1	2255682061	BBPLCSYMVACVRP-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1CCOC1	2255687484	HZZSQNNCLWJMOO-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1occc1B(O)O	2255737687	IAPWSMMDQOBSNM-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C#CCN(OC)C(=O)c1cccc(C)c1B(O)O	2258286771	NKGDKKQPQDPXFK-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2OCC[C@H]2C1	2298369098	IZEKEENCEAHJLY-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298371206	CPPTYDQNUXSJAU-HKBCETJISA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)C1(B(O)O)CCC1	2298375329	FTLCJHUPMPZYSZ-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
CC1(C)CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2298375478	LQZFCDJKOLABAN-HLTSFMKQSA-N	240.112	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@@H](CO)C1	2300373441	SSKGHXROECIDBR-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@H](C(=O)NN)C(C)C	2301395965	WACTYIAZNUVGMB-JTQLQIEISA-N	244.339	-0.589	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCOC[C@H]1CO	2302021780	DIKRPTRZKXMSCS-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCO[C@@H](C#N)C1	2302025149	YJNDMQAPNJZRPE-UWVGGRQHSA-N	240.307	-0.241	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H]1NCCNC1=O	2302405006	FAWIYXRIQLUXKX-VIFPVBQESA-N	242.323	-0.772	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@H](C)[C@@H]1C	2304109597	KUIFZGJFXLTQFE-SFYZADRCSA-N	241.291	-0.547	50	10	BBGE	
C[C@H](CC1CC1)n1cnc2c(B(O)O)ncnc21	2313689355	OIWABGIMBIWTDT-SSDOTTSWSA-N	246.079	-0.133	50	10	BBGE	
CC[C@H](C)NNC(=O)C(=O)NN[C@@H](C)CC	2000117	PKBZOMMXDJTFRI-YUMQZZPRSA-N	230.312	-0.175	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)C(=O)NN	42472219	FDRFJVZKSBSZCN-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
C[C@H](N(C)C(=O)C(=O)NN)C(C)(C)C	42796520	UPXFTELISRBAST-LURJTMIESA-N	201.270	-0.131	50	10	BBGE	
C[C@H](CC(=O)NN)NCCCN(C)C	58838470	RGZRVRHCICHTCI-MRVPVSSYSA-N	202.302	-0.704	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1C(=O)COCC(=O)NN	58849844	XGCRRXKBEQWWKO-DTORHVGOSA-N	243.307	-0.218	50	10	BBGE	
CCCNC(=S)NNC(=O)[C@H]1CCOC1	66959463	IDYXSWOHVVJMDO-ZETCQYMHSA-N	231.321	-0.072	50	10	BBGE	
C[C@@H](Sc1nccc(O)n1)C(=O)NN	82472224	PWSIIALPYXHBMH-SCSAIBSYSA-N	214.250	-0.347	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CC#N)CC#N	84689266	KIGMKSNPDRMMDF-MRVPVSSYSA-N	209.253	-0.650	50	10	BBGE	
COCc1cc(C(=O)NNC(N)=O)no1	85222741	DVNUZHCDLUVJMH-UHFFFAOYSA-N	214.181	-0.866	50	10	BBGE	
CN1CC(=O)N(CCOCCCl)CC1=O	86933627	ULYYOAKJUAMJEN-UHFFFAOYSA-N	234.683	-0.458	50	10	BBGE	
Cc1cc(C(N)=O)cc(C)c1OCC(=O)NN	88163539	CPDGMETUPWWVHF-UHFFFAOYSA-N	237.259	-0.229	50	10	BBGE	
NNC(=O)c1ccc(CO[C@@H]2CCOC2)nc1	94763552	YWSQWVRGJGMHTH-SNVBAGLBSA-N	237.259	-0.009	50	10	BBGE	
COC(=O)CS(=O)(=O)NC/C=C/CCl	160658685	AKOGMKALYVXJEO-NSCUHMNNSA-N	241.696	-0.126	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccc(B(O)O)cc2)n1	203335285	WUDNQSKWYJOHRD-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@@H]1CCN(C(=O)NN(C)C)[C@H]1C(=O)O	227072289	ILGZNWBKPJKQAK-RNFRBKRXSA-N	215.253	-0.032	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@@H](C)[C@@H]1C	232420793	YRNYLCGGDCLCNR-XHNCKOQMSA-N	247.364	-0.183	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nccnc1N	235413544	QLICGPUNLPEPIT-RXMQYKEDSA-N	227.293	-0.081	50	10	BBGE	
OB(O)c1ccnc(-c2cccnc2)c1	238651678	VLOQGXCWRFSKRR-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@@H](CN1CCN(C)C[C@H]1C)C(=O)NN	300355122	LZCVDJOUUWVPHW-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCN1[C@H](C)C(=O)NN	304625184	YFBWHNANIHYWFS-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
Cn1cc(OCc2ncccc2C(=O)NN)cn1	305899967	AGMVCEXWYANCOJ-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
COc1cnn(C[C@H]2CC[C@H](C(=O)NN)O2)c1	306074954	YQMIBCUUFNWPHY-VXNVDRBHSA-N	240.263	-0.571	50	10	BBGE	
CCC[C@@]1(NC(=O)C(=O)NN)CCOC1	378769714	CGDWGXWPSDIMMY-SECBINFHSA-N	215.253	-0.948	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1[C@H](C)CCC(=O)NN	385667612	MQXGJSGIQWPEBH-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)c1n[nH]c(NC(=O)CCl)n1	388286944	RMMGUKDIAGJGRJ-UHFFFAOYSA-N	218.600	-0.231	50	10	BBGE	
NNC(=O)CN1CCOCC12CCCC2	388619575	GPPXUROULCRTLD-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
COC(=O)c1cccc(B(O)O)c1CCC=O	396136078	HCRFJCZGVRCDOG-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CN1CC[C@@H](C(=O)Nc2ccccc2B(O)O)C1	404944236	AZNRVMTXICQRPS-SECBINFHSA-N	248.091	-0.743	50	10	BBGE	
CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405002701	MXWAXTVGRPZXEG-ZETCQYMHSA-N	207.038	-0.437	50	10	BBGE	
COCCOC(=O)Nc1ccccc1B(O)O	405167145	NSOQMQDUCDTCMD-UHFFFAOYSA-N	239.036	-0.439	50	10	BBGE	
CN(C)C[C@@H]1CCCCN1CCC(=O)NN	405198132	PUNASILFTCWLGN-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1CCCC(=O)NN	688755478	OLOQBOZYMCFHQW-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](CN(C)[C@H](C)[C@H](C)C(=O)NN)OC	691289323	YGRVRMPVUVJXFG-AEJSXWLSSA-N	247.339	-0.406	50	10	BBGE	
COCC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	692131676	FZFGKJYDGSOMIA-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
COC1(C(=O)NNC(N)=S)CCOCC1	700865646	JQZPOOAAJWGNCB-UHFFFAOYSA-N	233.293	-0.954	50	10	BBGE	
C[C@@H](C(=O)NCB(O)O)N1[C@H](C)CC[C@H]1C	702031203	VVMALTQXHVDSPD-HLTSFMKQSA-N	228.101	-0.624	50	10	BBGE	
O=C1CN(Cc2ncccn2)CC(=O)O1	702402338	KCORTZMEFKYNJQ-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
COC(=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703466914	YDGJSNZHWITDRW-BQBZGAKWSA-N	227.216	-0.534	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1ccc(B(O)O)cc1	703517492	MPXPVTIXMRDMOA-JOYOIKCWSA-N	236.076	-0.082	50	10	BBGE	
O=C(CCCl)N[C@@H]1CCOC[C@H]1O	706712607	UOWKOGBHSKOZRX-RNFRBKRXSA-N	207.657	-0.119	50	10	BBGE	
C=CCOCOc1cncc(B(O)O)c1	707371895	SSZMTEVCAZLSLW-UHFFFAOYSA-N	209.010	-0.700	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1O	708052149	UTOZOKDWEPNKDY-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2COC[C@H]2C1	718160247	MXNMSYONFYPNIZ-AOOOYVTPSA-N	227.308	-0.275	50	10	BBGE	
[O][S+]1(=O)CC(C[n+]2nn[nH]c2CCl)C1	725701147	AXEWVQKYGKXUDB-UHFFFAOYSA-O	237.692	-0.694	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)NC(=O)CCCl	757151187	XFJGWNUKORMURH-YFKPBYRVSA-N	233.655	-0.589	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	913014936	IHTJFCLAKZFEGX-MRPMEHKTSA-N	242.275	-0.362	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCCc1nn[nH]n1	1290193371	MBPHERUFTUMKFB-UHFFFAOYSA-N	240.267	-0.674	50	10	BBGE	
C[C@@H](O)C(=O)NN=c1cc[nH]c2cccnc12	1303437540	KYMRIMCKOTVUHQ-SSDOTTSWSA-N	232.243	-0.124	50	10	BBGE	
N#CCCNC(=O)NNC(=O)c1cn[nH]c1	1634809588	YCKHHSFFJHARJV-UHFFFAOYSA-N	222.208	-0.733	50	10	BBGE	
COC(=O)NNC(=O)c1cc[n+]([O-])cc1	1654143906	VLLWWATZAQOTFD-UHFFFAOYSA-N	211.177	-0.679	50	10	BBGE	
N[C@@H]1CN(C[C@@H]2C[C@H]2Br)C1=O	1877390544	QHRGHSHLUYTFJH-KVQBGUIXSA-N	219.082	-0.061	50	10	BBGE	
C[C@H](CCl)NC(=O)[C@@H]1CCS1(=O)=O	1881855358	PMZIXGAVQHCJQO-RITPCOANSA-N	225.697	-0.083	50	10	BBGE	
O=C(CCl)N[C@@H]1CCOC[C@H]1CO	1883240938	ROGZMFHZAFGHEK-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@@H]2Cl)COC1	1883644035	FCYCDZMXMKXTKH-RITPCOANSA-N	204.657	-0.542	50	10	BBGE	
COC[C@]1(C)CCN1[C@H](C)C(=O)NN	1884802754	CIKATORFZONVFS-APPZFPTMSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](N[S@](C)=O)c1cc(B(O)O)cs1	1884938714	HYNYOVJVQQAZHC-YYNRFHATSA-N	233.123	-0.628	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](N=c2[nH]nco2)C1	1885008398	ASKKFNDTPRWUQP-CRCLSJGQSA-N	237.668	-0.692	50	10	BBGE	
O=C1CN([C@H]2COC[C@H]2F)CC(=O)O1	1888861973	MIDXJUZPFKUBPB-RITPCOANSA-N	203.169	-0.891	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1C[C@@H]1C[C@@H]1Cl	1897143957	GTEPXTPTRLTWIQ-VRGHQRLXSA-N	249.694	-0.506	50	10	BBGE	
CC(C)=C(CN1CC[C@H](C)S1(=O)=O)B(O)O	1901721792	VODOBPHUZQBFOJ-QMMMGPOBSA-N	247.125	-0.241	50	10	BBGE	
Cc1cnc(CN2CC[C@@H](B(O)O)C2)cn1	1902512420	LPWFXPLOJIRYJZ-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1902520554	CAPLEUUTIKSSGS-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
OB(O)c1csc(CN2CCC3(CC3)C2)n1	1902641396	MLARQVMKOAAZGH-UHFFFAOYSA-N	238.121	-0.191	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1914259771	NWYMSYDNOAUFNW-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](CN1CC[C@H](CC#N)C1)C(=O)NN	1915063158	NQQMWTCZGOZPBE-IUCAKERBSA-N	210.281	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CCOCC2)C1	1915589937	OMLDTSXNXKRUBA-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
CN1CCCc2cc(NC(=O)C(=O)NN)ccc21	1916100630	HAWXEQXEKDFQRE-UHFFFAOYSA-N	248.286	-0.003	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917100121	FUSFFASTVCGRQM-GZMMTYOYSA-N	247.314	-0.203	50	10	BBGE	
CC(=NNC(N)=O)[C@H]1CCCS(=O)(=O)C1	1928387588	JMGRRIKVARZGSL-ZETCQYMHSA-N	233.293	-0.145	50	10	BBGE	
O=S(=O)(NCB(O)O)[C@@H]1[C@H]2CCCC[C@H]21	1931047683	QRXDCQOKNNWTMK-JIGDXULJSA-N	233.098	-0.894	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CC1(C(=O)NN)CC1	1931259607	VMKYPUWNIKPOIH-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C=CCCC2)n1	1932605516	XADABCQQAQCGAH-VIFPVBQESA-N	206.054	-0.081	50	10	BBGE	
COCC1(C(=O)NNCCO)CCC1	1935466261	LGPHGGNMOQSJDM-UHFFFAOYSA-N	202.254	-0.584	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1CC1CC1	1939136296	LHPHJQHLTKBZRX-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC[C@H]2C1	1941084730	ZRWLZCQRYCLMNS-GARJFASQSA-N	238.335	-0.608	50	10	BBGE	
CN(C)[C@@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1944903264	VBYYRUOUNWSSHU-UMNHJUIQSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](Cl)C(=O)Cn1cc(CN)nn1	1954341606	PZSFQRFYXSPEQO-RXMQYKEDSA-N	202.645	-0.067	50	10	BBGE	
CN(C)[S@](C)(=O)=NCCCCC(=O)NN	1960618389	NVNWNTNHXNINEX-OAHLLOKOSA-N	236.341	-0.279	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	1961240126	RFQNJTTZHJTEHF-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
COCCCSc1ccc(B(O)O)cn1	1961710049	IEUGNYOMIAFUAB-UHFFFAOYSA-N	227.094	-0.110	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC[C@H]2O)C1	1975355089	HKCDJTQFTJQIDE-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
COC1(COc2cccc(B(O)O)c2)CC1	1979947213	IKJSXNJMZICGAA-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
Cc1ccc(=O)n(CC(F)(F)C(=O)NN)c1	1981072549	JUKHBXMRVVXDRB-UHFFFAOYSA-N	231.202	-0.218	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](F)[C@H](F)C2)nc1	1981414582	TZRZJPMJAWYFLJ-OCAPTIKFSA-N	228.007	-0.742	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ncc(B(O)O)cc1F	1981530859	QZONRTRPAKSARN-MUWHJKNJSA-N	224.044	-0.255	50	10	BBGE	
CC[C@@H](COC(F)(F)F)NC(=O)C(=O)NN	1981736383	RNLWBLCHONSLJM-BYPYZUCNSA-N	243.185	-0.593	50	10	BBGE	
COC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1C	1982498649	UPVLKBKHOFYVGW-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
C[C@]1(O)CCN(CCC(F)(F)C(=O)NN)C1	1984130065	NNVLYNJZCWLHKT-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
CC(C)[C@]12CC[C@H](NC(=O)C(=O)NN)[C@@H]1C2	1984311972	MACDBFRZFVAFFI-DKCNOQQISA-N	225.292	-0.083	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC=C[C@@H]1CO	1985647831	CLLJQHLMLQEMAE-ZJUUUORDSA-N	227.308	-0.376	50	10	BBGE	
Cc1nn(C)cc1OC[C@H]1C[C@@H]1C(=O)NN	1986050046	OLOMOGPQLDLCIG-SFYZADRCSA-N	224.264	-0.267	50	10	BBGE	
CS[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	1990774942	PIRPURBNCGNOBL-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
CO[C@H](C(=O)NCC=CB(O)O)C1CCC1	1991326236	DUKHIRLTCSMGEV-VIFPVBQESA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@@H]2CNC[C@@H]12	1991709126	FIWMWDIAUREKGU-SXSRJLBYSA-N	244.678	-0.589	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(=O)N[C@@H]2CC[C@H]21	1991713131	PCWRGLJJHFUGAN-KYNVUQBWSA-N	242.662	-0.203	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@](C)(CO)CC1(C)C	1992771835	WKWBPQXGOCVHMV-KWQFWETISA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CCCC1	1996646395	UDGOMSZBLQRIRX-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1CN(C)C2	1997866891	XIJDACMJKJGQRV-NAKRPEOUSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)C2(CCC2)C1	2000816021	ZEZGMAVYSWGPRY-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@H](C1)C2O	2002479296	ZLMHXQOQSOLMMX-QQLNDRGWSA-N	241.335	-0.296	50	10	BBGE	
N#C[C@H]1CN(CCC(=O)NN)CCN1C1CC1	2004432739	RQWDXJIFNJXXAU-JTQLQIEISA-N	237.307	-0.961	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@H]1C[C@@H]1F	2006988384	LSWMCPGHWPOJHF-IUCAKERBSA-N	237.039	-0.029	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CCO[C@H]32)CC1	2007502877	GYDXBOULDHKUAV-OPRDCNLKSA-N	236.271	-0.102	50	10	BBGE	
NNC(=O)c1ccc(CO[C@H]2CCOC2)cn1	2007739511	AOEQOWDNYIXCHN-VIFPVBQESA-N	237.259	-0.009	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cccc(C(=O)NN)c1	2011371673	CZZIJTNOGDXAMU-LDYMZIIASA-N	235.287	-0.145	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2nncc2C1	2013644758	USSUDMYKSONPHY-JGVFFNPUSA-N	238.295	-0.892	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	2014233006	USLZLWIJMYOTIM-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCC(=O)N(C)C	2014824123	LASHEOQAZKQJOA-BDAKNGLRSA-N	244.339	-0.589	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncc(F)cc2B(O)O)CO1	2014930810	YJTDAIXRNVDHKV-SVRRBLITSA-N	241.027	-0.543	50	10	BBGE	
C=CC1(O)CCN(CCOCC(=O)NN)CC1	2018851274	NBUGVCZUBIKLQH-UHFFFAOYSA-N	243.307	-0.994	50	10	BBGE	
COC[C@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	2020062871	VDDKHXZTTFQKTQ-UWVGGRQHSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020068025	NKZVAXJXIHLMTP-KHQFGBGNSA-N	239.080	-0.514	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2C[C@H]21	2022196213	JBKAOKMDUPTJTP-GZMMTYOYSA-N	231.060	-0.399	50	10	BBGE	
COc1ccc(Oc2ncncc2B(O)O)cc1	2052494812	RHNSSDUCPQBVQH-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2053736001	ONSQDOXSCHKVOZ-VGDYDELISA-N	244.103	-0.086	50	10	BBGE	
COCC1CN(C(=O)c2ccccc2B(O)O)C1	2079009609	SPDGFALWLXWIFQ-UHFFFAOYSA-N	249.075	-0.915	50	10	BBGE	
CO[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079010816	UNRRKBIFJZXETB-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2079011116	ZFUGHMWWMSJSLL-NXEZZACHSA-N	245.087	-0.152	50	10	BBGE	
Cn1ccnc1COCc1cccc(B(O)O)c1	2080319637	VCYTVXJKWTYSPG-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
Cc1ncnc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c1B(O)O	2086991511	SSCABWAEQPZHGL-CDDJKKQXSA-N	246.075	-0.502	50	10	BBGE	
C=C(Cl)CNc1ncccc1B(O)O	2210068614	WDPIANOGRGMDAW-UHFFFAOYSA-N	212.445	-0.074	50	10	BBGE	
CN1CCC[C@H]1COc1nc(B(O)O)cs1	2211856876	DKKKQPAPMCIAGF-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@H]32)c1F	2212606311	RTMZGBCAPAWWHZ-POYBYMJQSA-N	222.028	-0.501	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@@H]3C[C@H]32)nc1	2212615156	KNIDHTCVWPHCBD-SZEHBUNVSA-N	218.065	-0.028	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1ccc(B(O)O)cn1	2214991827	MUPNAUCUWKYFOV-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
CN1CCC[C@H]1COc1ncccc1B(O)O	2215843130	KHBQVAXUQKHMIL-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccno1	2216241575	ACSMIYMCWLJRRI-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CO[C@H]1C[C@@H](COc2ccc(B(O)O)cn2)C1	2216460710	NNAQZYCGJMPKPG-WAAGHKOSSA-N	237.064	-0.435	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@@H]32)CCC1	2216528553	PZGHRNDZNMOZOQ-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CC[C@]1(O)CCN(c2ncccc2B(O)O)C1	2217177956	PLFPOPYAAHGVJX-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
C=CCN(CCO)c1cc(B(O)O)c(C)cn1	2217179462	KXQJHUQXCHTSCL-UHFFFAOYSA-N	236.080	-0.945	50	10	BBGE	
CC[C@@H](N)CN(CC)c1ncccc1B(O)O	2217183573	LVNMBNLLKZHORO-SECBINFHSA-N	237.112	-0.675	50	10	BBGE	
CO[C@H]1C[C@H](Nc2nccc(B(O)O)c2F)C1	2217184312	OHSVYMHISSZQTQ-LJGSYFOKSA-N	240.043	-0.510	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCNC1	2217184325	OMLSCYGBIXIIRN-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
C[C@@](CN)(Oc1ccc(B(O)O)cn1)C(F)F	2217188408	NSSVXHHSUNXCMF-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
N[C@H](COc1ccc(B(O)O)cn1)CC1CC1	2217193530	VGRBEHWEPLMROX-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
OCCCC1(Nc2ccc(B(O)O)cn2)CC1	2217197415	MEXOVRONIKZVGL-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
OB(O)c1cccnc1NCCOC1CCC1	2217198285	ZEVREDJQPHTEQA-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@@H]1O	2217204696	NNHGTZKOLLCXNW-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)cnc2=O)C1	2217409816	XIUUDOJYLFGJAA-BDAKNGLRSA-N	236.080	-0.641	50	10	BBGE	
COC[C@H]1C=CCN1Cc1cccc(B(O)O)c1	2220068290	BJHAGKILKHGWNK-CYBMUJFWSA-N	247.103	-0.247	50	10	BBGE	
C[C@@H]1CCCN(c2ccc(B(O)O)cn2)[C@H]1CN	2223631933	CRPHCKASWSAUPG-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@H]2C[C@H]21	2223652312	ICHAPAGNPHDZHL-ASXGKARISA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@@H]3CNC[C@H]3C2)c1	2223670375	WYHBJTXOXITLIJ-RKDXNWHRSA-N	247.107	-0.829	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)N1C	2223673172	WSHXNJHNIXOEGL-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
CN(CC1=CCCOC1)c1ccc(B(O)O)cn1	2223676889	HDPXAYOWWYLNQH-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)C#CB(O)O	2241478918	NOVMCKLQKOYXBN-YFKPBYRVSA-N	204.969	-0.886	50	10	BBGE	
C=C(C)CONC(=O)c1cscc1B(O)O	2243347791	PWIBLXPRTJBPTI-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
CSCCNC(=O)c1cc(B(O)O)oc1C	2243348883	BHJUYQOEZMUARV-UHFFFAOYSA-N	243.093	-0.639	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243356712	LZUDHOHYCOAKQJ-HTRCEHHLSA-N	222.053	-0.777	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C(=O)[C@H]1C	2243365542	NZZWBVVRRBBEIL-RQJHMYQMSA-N	225.053	-0.366	50	10	BBGE	
CCCCCNC(=O)c1csnc1B(O)O	2243378545	VHWCGCWKXHGLEE-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1sccc1B(O)O	2243407888	BKPIGUWSAWVVNS-SVRRBLITSA-N	239.105	-0.092	50	10	BBGE	
COCC(C)(C)NC(=O)C1CC(B(O)O)C1	2243413435	GCQJOBJAHIJLIA-UHFFFAOYSA-N	229.085	-0.219	50	10	BBGE	
C=CC(=O)Nc1ccc(OC)cc1B(O)O	2243684768	GQNDPVBPRQGFAY-UHFFFAOYSA-N	221.021	-0.501	50	10	BBGE	
C=C(CC)CNC(=O)c1cocc1B(O)O	2244205143	GKHAAWQOTTYIFS-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCSCCNC(=O)c1cocc1B(O)O	2244206122	RVPLISUARLPWAH-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)co1	2244217879	TXGZWDNWAPDBOH-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
C[C@@H]1C[C@@H]1CCC(=O)NCCC#CB(O)O	2244546240	IVYGFQNWGDJDOO-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	2246598692	OHSYUDXKZBQILN-UXXCCHNYSA-N	237.259	-0.993	50	10	BBGE	
C[C@@H](CN1CCC2(CC1)CN(C)C2)C(=O)NN	2246821030	VWRSKUBYAXUSGN-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@@]2(C(=O)O)CO[C@H]1C2	2247324574	XEUKFRRBRRRJCC-BYULHYEWSA-N	243.263	-0.606	50	10	BBGE	
CCC[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2247742590	QTLJNURYQUOWAN-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
O=C(N1CCC[C@@]12CCOC2)C1(B(O)O)CC1	2247758794	WTFWMVFBSFZQEF-JTQLQIEISA-N	239.080	-0.225	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)n[nH]2)C1	2247783739	KISCNWMOMNTDEY-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785091	FUZLREZTBYCQLR-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
C=C[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792009	PUVQDGSMWRUCEV-WCABBAIRSA-N	239.080	-0.611	50	10	BBGE	
CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797632	LQVWZGLLPLNHMD-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247798360	SQOXTGFIDVHZGS-AMDVSUOASA-N	241.096	-0.389	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247806910	GTWMVHGQLGCDIX-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCC[C@@H]2C1=O	2247847667	ABAOVESTVWGPSA-BDAKNGLRSA-N	235.048	-0.823	50	10	BBGE	
CC(C)(C)[C@H]1[C@@H](O)CCN1C(=O)C#CB(O)O	2247849641	CNTXFDPMXLXARP-WCBMZHEXSA-N	239.080	-0.990	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1occc1B(O)O	2247852911	BXZYJXIACDKNHF-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCCC1CC1)c1ccc(B(O)O)cn1	2247868326	FOSKJEUWGDWIIY-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2247868478	GFGVMGORLIRHMG-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
C[C@H](CF)NC(=O)c1cccc(B(O)O)c1F	2247868879	YSVGXEIQERLVNG-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cncc(B(O)O)c1	2247869185	NJDTZTPKRKTJEW-QMMMGPOBSA-N	236.080	-0.464	50	10	BBGE	
C=C1CC(NC(=O)c2cncc(B(O)O)c2)C1	2247869573	UUEWGSNEOWBSHU-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
C=CC1(NC(=O)c2ccoc2B(O)O)CCC1	2247869737	XPZYCSBFPIIVEZ-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247871217	XQGGFYJKJPAPQN-VIFPVBQESA-N	235.048	-0.250	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894259	DZHDBTPRNKARLK-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC[C@H]1OCC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247895160	PIFDVPWDGFELGU-XSPKLOCKSA-N	245.059	-0.517	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247900526	XPHMCBUHOVWTGA-XFWSIPNHSA-N	241.096	-0.410	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247911897	YLMDQHFFGNDWHT-QCLAVDOMSA-N	240.112	-0.646	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@H]2CC[C@H]2C1=O	2248080793	KGOCPAFISXHSTC-OCAPTIKFSA-N	239.275	-0.458	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(F)c(B(O)O)c1	2248442898	YJRYSMVDIGWRRB-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N(C(=O)C2(B(O)O)CC2)C1	2248586864	IIOIHYROTFJNTN-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1ncncc1B(O)O	2248687450	DBSLAJSPIBFDFN-SFYZADRCSA-N	233.080	-0.609	50	10	BBGE	
O=C(Cn1ccnc1)N1CCC(B(O)O)CC1	2249354352	LQBHTAVYLCSOBN-UHFFFAOYSA-N	237.068	-0.652	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1cc(B(O)O)co1	2249433646	PACNDYFTQIFDFT-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1cocc1B(O)O	2249438870	FPOFCZLCCAZLNT-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
COc1ccc(B(O)O)c(N2C3CCC2CC3)n1	2254591533	BZDODGIEPCXJKJ-UHFFFAOYSA-N	248.091	-0.099	50	10	BBGE	
Cc1ncncc1NC(=O)c1coc(B(O)O)c1	2255454951	YRQKJKFJQOECID-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2255465747	OHVSQZPYUOYYHX-VIFPVBQESA-N	248.091	-0.574	50	10	BBGE	
O=C(Nc1ncnc2[nH]cnc12)C1(B(O)O)CC1	2255482519	WALWABWFCQXSCP-UHFFFAOYSA-N	247.023	-0.702	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)Nc1ccccc1	2255508214	JZZQCJBJHKDXGJ-UHFFFAOYSA-N	244.059	-0.043	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2255670175	DIQQBEWOWQWGSL-UHFFFAOYSA-N	248.091	-0.432	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cc(B(O)O)c[nH]1	2255681768	WYWXSGCDQUXAST-FNCVBFRFSA-N	246.075	-0.921	50	10	BBGE	
C=CCC1(NC(=O)c2cncc(B(O)O)c2)CC1	2255689777	PVJBWBGAMDXXHU-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
C=CCCCN(C)C(=O)c1ncccc1B(O)O	2255710619	NJAZXCUNIAGDPP-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
O=C(NCCCc1cccnc1)[C@@H]1C[C@H]1B(O)O	2255772047	ZUMPHOQSXTZTSX-GHMZBOCLSA-N	248.091	-0.007	50	10	BBGE	
C#CCCCCNC(=O)c1cc(C)c(B(O)O)o1	2255790035	QZVMJMHOYTVLML-UHFFFAOYSA-N	249.075	-0.199	50	10	BBGE	
C=C1CC(C(=O)Nc2ncc(B(O)O)c(C)n2)C1	2256636472	MVFPUQCHMRKQPF-UHFFFAOYSA-N	247.063	-0.630	50	10	BBGE	
OB(O)c1ccnc(NC2CCCNCCC2)c1	2256991477	JVDSYQGYBGYOKF-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@H]1C[C@@H]1C	2257491364	MAUAFICAKFGTBO-IONNQARKSA-N	248.091	-0.544	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C(=O)[C@H]2CCC[C@@H]21	2258126118	CGROBIXKMNXNQB-RCOVLWMOSA-N	249.031	-0.890	50	10	BBGE	
Cc1nc(OCc2cccnc2)ncc1B(O)O	2264352778	PFCLIOGRRHOJHS-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCC[C@@H]2C[C@H]12	2297867669	MEORMUDGZQFMCR-WEDXCCLWSA-N	234.064	-0.276	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2298376782	OFRBKBIIQPJZCZ-KGDYZURWSA-N	239.080	-0.467	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H]1O	2301340139	ANIYLQIAZMORLX-MNOVXSKESA-N	232.048	-0.827	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3C[C@H]3C2)cc1B(O)O	2301450332	CZSWOVSMOOICII-AOOOYVTPSA-N	231.060	-0.365	50	10	BBGE	
N[C@H]1CC[C@H]1COc1cc(B(O)O)c(F)cn1	2303848894	DZMWXVOFAAUCRA-RCOVLWMOSA-N	240.043	-0.983	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@@H](C)N	2303858748	PQDVEUGYUFZVND-HZGVNTEJSA-N	242.059	-0.595	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]1[C@H](O)C2	2306283381	LYCYAPZIFCFHTF-BIIVOSGPSA-N	249.261	-0.543	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2NC[C@@H]3CC[C@H]23)CC1	2308501600	JGBISDKWMHGSLP-DCAQKATOSA-N	249.314	-0.139	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2321007372	AIAPQFBKAQWLRM-ONGXEEELSA-N	248.091	-0.236	50	10	BBGE	
CN1CCN(NC(=O)CCCl)CC1	6126024	DPCMBLOFVDIERM-UHFFFAOYSA-N	205.689	-0.106	50	10	BBGE	
CCOC(=O)CCCNCC(=O)NNC(C)=O	70245313	MBWNLPLBQGSJQK-UHFFFAOYSA-N	245.279	-0.913	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](O)C2)c1	82468687	UJDUAWDJUMOZDD-QMMMGPOBSA-N	225.248	-0.550	50	10	BBGE	
Cc1n[nH]c(SCCC(=O)NN)n1	82473178	MENKQKDOUWVGSS-UHFFFAOYSA-N	201.255	-0.415	50	10	BBGE	
O=C(CBr)NCC(=O)NC1CC1	82506466	QWAPJIPASMMKJG-UHFFFAOYSA-N	235.081	-0.224	50	10	BBGE	
NNC(=O)CCCCN1CCOCC1=O	86433417	FOUKRJASHCOKFY-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)CC1	86597612	KAGHOWLVUOFSPK-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
O[C@H]1[C@H](O)[C@H]([C@H](Cl)CCl)O[C@H]1O	108474361	CGPKCWFLSGBABQ-QBFJYBIGSA-N	217.048	-0.728	50	10	BBGE	
CN1C(=O)C(=O)N(C[C@@H](Cl)C#N)C1=O	132573681	BCRSAMMEDVSZGY-BYPYZUCNSA-N	215.596	-0.462	50	10	BBGE	
Cc1c(C)c(=O)n(C[C@@H](O)CCl)[nH]c1=O	163068621	AULKWRFDGSUSGG-ZETCQYMHSA-N	232.667	-0.247	50	10	BBGE	
COCCC(=O)NCCNC(=O)[C@@H](C)Cl	169918332	ROOGTBSRTBFCHX-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
COCCC(=O)NNC(=O)C(F)(F)F	170766261	ZUURAAISHLEVQM-UHFFFAOYSA-N	214.143	-0.267	50	10	BBGE	
O=C(CO)NNC(=O)Cc1ccsc1	180945273	YTTCEHRZMMVRTD-UHFFFAOYSA-N	214.246	-0.570	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCOCC2)O1	216316294	BQRIXZVRAJMQLH-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](O)CN/C=C(/C#N)C(=O)N1CCOCC1	217098719	DYIOXGXRMSOONT-CUQRQBARSA-N	239.275	-0.777	50	10	BBGE	
C[C@H]1CC[C@H](COc2cncc(B(O)O)c2)O1	232013289	KMLLWZGGWZASMJ-WCBMZHEXSA-N	237.064	-0.292	50	10	BBGE	
O=C1CN(Cc2ccncn2)CC(=O)O1	236404032	LOFCSIUBVFSOQY-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
C[C@@H](N)CSS(=O)(=O)C[C@@H](C)N	238425195	PJSOLYYNDXWCQT-PHDIDXHHSA-N	212.340	-0.256	50	10	BBGE	
C[C@@H](CN)S(=O)(=O)S[C@H](C)CN	238465615	WLTCGIGDHXDEJY-RITPCOANSA-N	212.340	-0.256	50	10	BBGE	
NCC1(c2ccc3c(c2B(O)O)OCO3)CC1	258124070	HMWQUCCYIMYNHG-UHFFFAOYSA-N	235.048	-0.915	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H](CC)C(=O)OC	276765426	GQDZLJGGIJPGJN-ZETCQYMHSA-N	245.279	-0.122	50	10	BBGE	
CSc1ccc2nc[nH]c2c1B(O)O	306584012	FUGPXNIPFZERDA-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
OB(O)c1ccc2sc(O)cc2c1O	307303933	GPJSITMMSIBQAG-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CN(C)CC(=O)NN=C1CC(C(=O)O)C1	378868548	HVDYGMKKAOXGIT-UHFFFAOYSA-N	213.237	-0.485	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(CC)C1	384184478	XEMPSPGWJULLDW-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CC(Cc1cc(C)[nH]c(=N)n1)=NNC(N)=O	390641008	KYTRTUMSRFRTNU-UHFFFAOYSA-N	222.252	-0.216	50	10	BBGE	
NNc1cccc(B(O)O)c1C(F)(F)F	396105194	TZWNHNIANBRTCB-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ccoc1	404987769	XMACZXBQVKIWOB-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
CCOC(=O)NCc1ccccc1B(O)O	405145448	MGEMSDOZHAZYGR-UHFFFAOYSA-N	223.037	-0.388	50	10	BBGE	
C#C[C@H](CO)N1CC[C@@H](Br)C1=O	642830707	XZUONVZMAGCTMX-RNFRBKRXSA-N	232.077	-0.024	50	10	BBGE	
C[C@@]1(CO)CCCN(CCCC(=O)NN)C1	688023687	INGFSMBXMZUDIC-LLVKDONJSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](CN1C[C@@H](C)C(O)[C@H](C)C1)C(=O)NN	688121920	JXMIDXQLNCNNBM-IWSPIJDZSA-N	229.324	-0.439	50	10	BBGE	
CC(C)C[C@H](OC1COC1)C(=O)NN	695050220	SSLDSJLPGZWGNR-QMMMGPOBSA-N	202.254	-0.194	50	10	BBGE	
CCO[C@@H](COCC(=O)NN)C1CC1	703561542	KFCQCQXXCBKJBU-QMMMGPOBSA-N	202.254	-0.192	50	10	BBGE	
C=CCS(=O)(=O)NC[C@H](Cl)C(=O)OC	711134707	GJBATBDSQWLPAQ-LURJTMIESA-N	241.696	-0.128	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@@H]1C1CC1	712805986	QLNAHRBUCSYXBG-HTQZYQBOSA-N	211.265	-0.471	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C2CCC1(CO)CC2	723024356	WDCFYSRXKUEUTG-SKMKEBHYSA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@H](CCN)C1	723889819	BCWRLSSGPLASAI-PSASIEDQSA-N	242.323	-0.930	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cc1ccon1	781063513	GIGMBUWVXAOATE-UHFFFAOYSA-N	226.236	-0.090	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	843893358	MNJGJBAYAVUQPN-IONNQARKSA-N	240.259	-0.318	50	10	BBGE	
O=C(CCl)NC[C@@H]1CCCNC1=O	885907590	VASAINIBCPMIQV-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
COc1ccccc1[C@H](O)C(=O)NNC(C)=O	899927680	QIPKBHJBAIIPJE-JTQLQIEISA-N	238.243	-0.104	50	10	BBGE	
CCO[C@H]1[C@@H](C(=O)NNC(=O)NC)[C@H]1C	906393464	BJJYNZWDPNRKLZ-DSYKOEDSSA-N	215.253	-0.382	50	10	BBGE	
Cc1cc(=NNC(=O)/C=C\C(=O)N(C)C)cc[nH]1	1148419799	NROLXRTYCXFKNH-PLNGDYQASA-N	248.286	-0.101	50	10	BBGE	
Cc1cn2ccc(C(=O)NNC(=O)CO)cc2n1	1161080793	TZOGDEWPWWHMLI-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1coc(CO)c1	1262177621	ASSQUNKXBSJPIM-ZETCQYMHSA-N	228.248	-0.271	50	10	BBGE	
CNC(=O)NC[C@@H]1COCCN1C(=O)CCl	1331844935	BGZYUUFXIMAHEM-SSDOTTSWSA-N	249.698	-0.618	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cccc(O)c1	1616527899	ZBKPHHGNKXHUII-UHFFFAOYSA-N	238.243	-0.076	50	10	BBGE	
C=C[C@@H](O)C(=O)NN=c1cc[nH]c(C)c1	1641981862	SVHRINVLPHGIBU-SECBINFHSA-N	207.233	-0.198	50	10	BBGE	
NS(=O)(=O)NC[C@H]1C[C@@H]1Br	1880106555	AIDQUJAIBLYRFU-DMTCNVIQSA-N	229.099	-0.437	50	10	BBGE	
CO[C@H]1CC[C@@H]1CC(=O)NNC(N)=S	1886970154	PWZFNFZDGYNVFQ-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
C[C@H](CO[C@]1(C)CCOC1)C(=O)NN	1888721180	KVRWSFBCKOKACZ-VXNVDRBHSA-N	202.254	-0.192	50	10	BBGE	
NNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](F)C2	1889127368	TVAOWWNKOATFPO-RNLVFQAGSA-N	201.245	-0.059	50	10	BBGE	
OB(O)[C@@H]1CCN(CCOCCF)C1	1891493039	RQYVTRZDUSFXKG-MRVPVSSYSA-N	205.038	-0.479	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)CCl)C[C@@]1(C)O	1891722477	WIQYQRWYSQIGJL-RKDXNWHRSA-N	221.684	-0.041	50	10	BBGE	
CSCC(=O)N[C@@H]1CCC=C1B(O)O	1892918825	CTFMHJJYTXPNBQ-SSDOTTSWSA-N	215.083	-0.434	50	10	BBGE	
COCCNCC(=O)NC[C@H]1C[C@H]1Cl	1893107018	JSDUVIACOCYGIV-HTQZYQBOSA-N	220.700	-0.034	50	10	BBGE	
NCc1c[nH][nH]c1=NC(=O)[C@@H]1C[C@H]1Cl	1893660860	DOTHQTPCKKPQOY-PHDIDXHHSA-N	214.656	-0.144	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@H]2C)c1B(O)O	1897621661	QISCBEFUBRDPAL-HTRCEHHLSA-N	222.053	-0.500	50	10	BBGE	
C=CCN(CC)C(=O)c1cnsc1B(O)O	1900451766	OLDITDLIHCTYNC-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1[C@H](C)C[C@H]1C	1901076972	ZBVCZVYECJQUCQ-IWSPIJDZSA-N	229.324	-0.032	50	10	BBGE	
O=Cc1ccc(NC2CSC2)cc1B(O)O	1901248649	KMEPNBRWPPYUEC-UHFFFAOYSA-N	237.089	-0.294	50	10	BBGE	
Cc1nnc(CN2CC[C@H](B(O)O)C2)n1C	1902506496	UFOXEUYVZDHPIT-QMMMGPOBSA-N	224.073	-0.828	50	10	BBGE	
COCCNC(=O)N1CC[C@@](C)(B(O)O)C1	1902540809	JEZUNPWGTGOVTP-SECBINFHSA-N	230.073	-0.719	50	10	BBGE	
CCON(C)C(=O)c1csc(C)c1B(O)O	1902868447	PQTRMSRSQHWXDI-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
COC[C@@H]1CCCN([C@H](C)CC(=O)NN)C1=O	1905574127	VYPKDBCTRGDQBO-BDAKNGLRSA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CO[C@H]2CCOC2)O1	1909805476	OXJXXLDCVZEOHG-AEJSXWLSSA-N	244.291	-0.281	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@H](C)C(=O)NN	1912238925	JRDZMRQGGZDQTE-ZETCQYMHSA-N	234.259	-0.346	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CCOC2)C1	1915583750	SITNRGLSYLHITK-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N(Cc1ccccc1)C1COC1	1915650912	QKUXJRLGBZOIRV-UHFFFAOYSA-N	249.270	-0.596	50	10	BBGE	
NNC(=O)c1cncc(CN2CC(F)C2)c1	1917255098	KQMZWLQDDALHHS-UHFFFAOYSA-N	224.239	-0.161	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C(=O)O1	1927812124	GCJHXODLOFFNIK-SCSAIBSYSA-N	223.179	-0.548	50	10	BBGE	
CC1CC(N(C)CCOCC(=O)NN)C1	1928280355	BULLNANCDNTFBG-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCn1ccnc1	1930063707	DNNSCRIMRRMQEX-MRVPVSSYSA-N	211.269	-0.807	50	10	BBGE	
CC(C)OCCN(C)CCOCC(=O)NN	1936531128	BXRPQDXBWLTKKQ-UHFFFAOYSA-N	233.312	-0.650	50	10	BBGE	
CCCN(CCOC)[C@@H](COC)C(=O)NN	1939260000	VRFVVCZOARLALZ-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C(=O)C1CC1	1939884748	GOWNWCYUXHNZPE-UHFFFAOYSA-N	239.105	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]2COC[C@H]21	1941093037	NTISREZUAVWGJQ-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
CCCn1ccn(CCOCC(=O)NN)c1=O	1941780980	WIUCZQSCHHRWJR-UHFFFAOYSA-N	242.279	-0.934	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOCC(C)(C)C1	1942416982	XGDMBKDBKPBOBF-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
COCCCCCn1nc(C)c(B(O)O)c1C	1949717954	USSHJNGQSRDSCJ-UHFFFAOYSA-N	240.112	-0.004	50	10	BBGE	
O=C(NC1CCC1)N1CC[C@H](B(O)O)C1	1951321006	VYSRLPLGGGOADV-ZETCQYMHSA-N	212.058	-0.203	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cnc2[nH]nnc2c1	1953072723	MZSZYXSUZGRHKQ-BQBZGAKWSA-N	204.193	-0.763	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](F)[C@H](F)C1	1960933766	NVDYQTYBCICYJV-LXGUWJNJSA-N	221.251	-0.007	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2COCC[C@H]21	1961304085	JWISESAEXKYWPT-SFYZADRCSA-N	231.321	-0.817	50	10	BBGE	
COCCCSc1ccncc1B(O)O	1961710137	JKVPLBFZRWXITK-UHFFFAOYSA-N	227.094	-0.110	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962236850	UZXKAIZJLFFGKW-GKVHRYEBSA-N	233.695	-0.281	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCC[C@]2(CO)C1	1976390560	QJKAUWJVPWALOT-MWLCHTKSSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1c1ncon1	1976756798	YKFOWZUVGGRDKV-NKWVEPMBSA-N	225.252	-0.415	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1976993264	YZCPNRLYKZVDRF-RITPCOANSA-N	229.041	-0.925	50	10	BBGE	
C[C@H](CN1C[C@H]2CCC[C@H]2C1=O)C(=O)NN	1980923243	SJCIUZZZEZYGMH-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
C[C@H]1CCCN(c2ncncc2B(O)O)C1	1981415004	YZSNEYXTPZLBPI-QMMMGPOBSA-N	221.069	-0.607	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1nc(B(O)O)cs1	1981468477	CINJTPWOHDMVHJ-BQBZGAKWSA-N	238.121	-0.085	50	10	BBGE	
COC[C@@H](OCC[C@H](C)N(C)C)C(=O)NN	1983693125	DNJSVYOQDWGQJB-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1984193529	UWROUZYIIUNSHO-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)o1	1985740049	GCQOIRPKCXEIIJ-XPUUQOCRSA-N	225.248	-0.552	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@@H](C)CCCl)C1	1985797059	QSFGWKVEPGMCPZ-ZETCQYMHSA-N	248.710	-0.036	50	10	BBGE	
CO[C@@H](C)COc1ncc(B(O)O)cc1C	1986049241	PEZNMFDZAPQKJY-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCCO2)O1	1990165354	XHYKYKQOYKDWDF-RKDXNWHRSA-N	229.280	-0.449	50	10	BBGE	
O=C1CN([C@H]2C[C@@]23CCCOC3)CC(=O)O1	1992214659	OFZVTJNUQYHNHO-GZMMTYOYSA-N	225.244	-0.059	50	10	BBGE	
CC1(C)C[C@H]1COc1ncc(B(O)O)cn1	1992226448	XHFOTLTWFBVGKQ-ZETCQYMHSA-N	222.053	-0.419	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)NC(=O)CCl)C[C@H]12	1993441539	YGGSBLCVVHVFBI-WHFBIAKZSA-N	245.666	-0.876	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@H](C)C(=O)NN)C1	1994892016	ICVJXDBCGRPAKL-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CN(C[C@H]1CCCOCC1)C(=O)C(=O)NN	1995180809	WNVOEBIYNJJMBU-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CC1(C(=O)NN)CC1)C2	2001040246	OMSGHVZJFJZMGQ-CABZTGNLSA-N	239.319	-0.275	50	10	BBGE	
CC(C)(CN1CC[C@H](O)CC12CC2)C(=O)NN	2003754409	OAEYXTWZFYMHEI-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CC(C)C[C@H]1CCN1c1ncc(B(O)O)cn1	2004915714	CCCHOZYCLYRWJY-SNVBAGLBSA-N	235.096	-0.219	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@@H]1CCOC1	2004917612	DJBDVNPDEVNUPT-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CCCOC2)n1	2004930045	QGCNMYSIQMWASX-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
COC[C@@H](Oc1ncncc1B(O)O)C(C)C	2004934570	GYCALMKCEQTSCH-SECBINFHSA-N	240.068	-0.794	50	10	BBGE	
C[C@H]1C[C@H](N(C)c2ccncc2B(O)O)CO1	2004940598	YHXBZMVEELGAQP-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2004973125	QBCSFYNOOZMKIF-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@H]2C)n1	2005015682	DMOKXFYQKQIZIR-SSDOTTSWSA-N	235.096	-0.238	50	10	BBGE	
CC[C@H](C(F)F)N(C)c1ncncc1B(O)O	2009012895	RIRCEZIFSLVNDY-SSDOTTSWSA-N	245.038	-0.364	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCOC[C@H]1F	2013731425	QOBPCCNXLJOQDH-AXTSPUMRSA-N	245.298	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C(C)C	2014230220	FPQLTHPRRNJWPX-OUAUKWLOSA-N	240.351	-0.078	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@@H]1C(C)(C)C	2017160983	ODANKXYUNPZWQJ-YUMQZZPRSA-N	243.307	-0.362	50	10	BBGE	
C[C@@]12CNC[C@]1(C(=O)N1CCC(O)(C#N)CC1)C2	2046819927	OBGAAVXYNUXNAG-YPMHNXCESA-N	249.314	-0.137	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@]2(CCCO2)C1	2052467367	PQWKPGXTZZKCIT-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
CCc1nc(CC)n(-c2ccc(B(O)O)cn2)n1	2052599495	IDGGSFXSAYJCST-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
OB(O)c1cnc(-n2cnc3c2CCCC3)nc1	2052604941	VUWAAEMQTLWDDA-UHFFFAOYSA-N	244.063	-0.779	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(F)c1	2053734851	IDCVTKTZJXJMNO-FGGBMERFSA-N	248.066	-0.255	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)CC1COC1	2056493194	GJZVLLJQEZDQFO-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(C(=O)NN)nc2)n1	2056637002	MXXGKAZWDXBBID-UHFFFAOYSA-N	246.274	-0.058	50	10	BBGE	
COc1c(Cl)cc(B(O)O)cc1[N+](=O)[O-]	2060018190	NNPSEMYCXBMLHH-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccccc1CC(=O)NN	2062246893	SYKFIZZNUAADAJ-SKDRFNHKSA-N	249.314	-0.216	50	10	BBGE	
C[C@@H]1OC2(Cn3cc(B(O)O)ccc3=O)CC1C2	2068636298	BEWXWEVPFBYSTA-QTZUAFFRSA-N	249.075	-0.904	50	10	BBGE	
CN(C[C@H]1CC12CCC2)c1ncc(B(O)O)cn1	2069259203	IOJJHSLZEDSYPB-SECBINFHSA-N	247.107	-0.217	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)C1)c1ccccc1B(O)O	2079008812	NELBKERELVNZKL-DTWKUNHWSA-N	249.075	-0.990	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)[C@@H]1CCC[C@@H]1O	2210163884	HFDDQLULUDIPLC-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CN(CC1(C(=O)NN)CCOCC1)C1CC1	2212448299	MCJPBBXWWVDWFC-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCC[C@H]32)c1	2212602065	YDULELNANAWBBO-JZYVYDRUSA-N	218.065	-0.028	50	10	BBGE	
NNC(=O)CN1C[C@@H](O)CC12CCCCC2	2212757802	CNDXPNZHPOCFFA-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
CNCC1(Oc2ccc(B(O)O)cn2)CCC1	2217171469	DVSBIPXSYOGXCH-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]2[C@H](C)O)cc1B(O)O	2217180180	QSWYZOIXNHZJLC-QXFUBDJGSA-N	236.080	-0.749	50	10	BBGE	
CC(C)C[C@H](N)COc1ncccc1B(O)O	2217182476	BCZGFZUBFRVOET-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
C[C@@H](N)C(C)(C)COc1ncccc1B(O)O	2217184098	MPEAMDQWHIJDRY-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
COCC[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2217197591	OFBAJAASQDZWCC-VIFPVBQESA-N	238.096	-0.732	50	10	BBGE	
C#C[C@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2217201391	PJLSKISOTGNMOM-WCBMZHEXSA-N	231.064	-0.630	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c1	2223625486	DWERLFWQOMTAJE-URLYPYJESA-N	248.091	-0.747	50	10	BBGE	
CN1CCC[C@]1(C)CNc1cc(B(O)O)ccn1	2223627345	MQWGLXZQOOLTKS-GFCCVEGCSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCNC1	2223629604	VRBHPSLYBDEVPN-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
NC[C@@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223640272	VUDTZBVGZFQPIV-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)N1CCCC1	2223672597	BMBYLUXUXRXCNN-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)nc1	2223675845	ZIGXSSXQJZUDIB-VQFQEQAESA-N	245.091	-0.387	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)C1(B(O)O)CC1	2241478497	GQCVUPZWGPKCJM-AWEZNQCLSA-N	219.071	-0.362	50	10	BBGE	
CCS(=O)(=O)N1CCC(B(O)O)CC1	2241737638	YSPFFSDPBZBHQR-UHFFFAOYSA-N	221.087	-0.725	50	10	BBGE	
O=C(N1CC2(CSC2)C1)C1(B(O)O)CCC1	2243347257	KAZSHUQGUURANR-UHFFFAOYSA-N	241.121	-0.041	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)C1(B(O)O)CC1	2243364649	AFCXQBUGIQKKGQ-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
C[C@@]1(CN)CCN(C(=O)C2(B(O)O)CC2)C1	2243365427	MMYNTUXZZUJRIC-VIFPVBQESA-N	226.085	-0.809	50	10	BBGE	
O=C(NCCC1CC1)c1csnc1B(O)O	2243378677	XPWBDVGKMGAQEH-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H](O)CC1	2243383575	ZGTJFCMMENPWGN-YIZRAAEISA-N	227.069	-0.777	50	10	BBGE	
O=C(NCC1CCC1)c1sncc1B(O)O	2243385110	COYDBFGUNKWQQX-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243391970	PZMVILWUABHQTJ-DJLDLDEBSA-N	228.101	-0.661	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2243405122	ZYECFSZPDUCKMD-JGVFFNPUSA-N	223.041	-0.803	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@@H]1CF	2243407522	UKUJYTNRFKXTCR-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
C=C(CS(=O)(=O)NCC1CC(C)C1)B(O)O	2243411938	CTUFBQFJYCDJRK-UHFFFAOYSA-N	247.125	-0.480	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)[C@H]1C[C@H]1B(O)O	2243426801	MCRLHBLNDSVAFE-DJLDLDEBSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N1CCC(B(O)O)CC1	2244170810	LONQSVDWBRAACK-APPZFPTMSA-N	247.125	-0.337	50	10	BBGE	
O=C(Nc1cnns1)c1cc(B(O)O)co1	2244212482	QOBIMVNLFPZFGO-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(Nc1ncco1)c1csnc1B(O)O	2245938845	AWQHFPCHTUYOCV-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CC(C)[C@@H](O)CCNC(=O)C1(B(O)O)CCC1	2247736555	WUAIXECITABJPG-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)o1	2247738271	PHFXARUFTQYLEH-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
CC1(CONC(=O)c2cc(B(O)O)c[nH]2)CC1	2247746995	HNPWZIWQTBZIHC-UHFFFAOYSA-N	238.052	-0.844	50	10	BBGE	
O=C(N1CC[C@@H]2CCO[C@@H]2C1)C1(B(O)O)CC1	2247749909	BKOPWFCPPAMYTP-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CCN(OC)C(=O)c1ccc(B(O)O)c(C)c1	2247751747	BPEIQKVGXHGTHZ-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1occc1B(O)O	2247753416	GUAAFGGMGKGTNH-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
O=C(N1CC=CC[C@H]1CO)C1(B(O)O)CCC1	2247756292	SLMYTBAIKJDDLO-VIFPVBQESA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1F	2247756970	IGXFAEALMFZATR-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247774732	BXVZZUADEKAVKL-VIFPVBQESA-N	234.064	-0.710	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786773	GJGQUBXSFIEYBL-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
CCOC(=O)CCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247791991	PPKDXHUUXIIPLM-HTQZYQBOSA-N	243.068	-0.739	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@H]1N	2247792053	QMPMFMZYMQZGJH-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247798473	UMNGSUHNTCCBKZ-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
Cc1[nH]nc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1C	2247807620	RHHCHALHGMMNCN-SFYZADRCSA-N	237.068	-0.494	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808349	KVPROZOVCHGJRM-XHNCKOQMSA-N	241.096	-0.389	50	10	BBGE	
O=C(NCCN1CCCCC1)[C@H]1C[C@@H]1B(O)O	2247808389	USYFFPIFPYWLJZ-UWVGGRQHSA-N	240.112	-0.549	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247852826	AEBWLYHCPHYDQR-SFYZADRCSA-N	241.096	-0.341	50	10	BBGE	
CCC[C@H]1CNCCN1C(=O)C1(B(O)O)CC1	2247852940	CSGWRAGHAZRZRQ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247858049	AEXAIPKBFKDYCF-RGOKHQFPSA-N	243.112	-0.237	50	10	BBGE	
CCN(CC(F)F)C(=O)c1coc(B(O)O)c1	2247870679	NXCQNCMKAXVJSY-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
NCC1(NC(=O)C2(B(O)O)CC2)CCCCC1	2247871581	DLXPKPNWAVPFFZ-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NCCF	2247875192	WOPVFJDEMJFVIO-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCOC1	2247887179	LCUOCBQUOGPTNY-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
COC1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247894686	JROABVMKYAJOMB-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC(F)(CO)CC1	2247898642	GLHIOLHVUHAWCO-SFYZADRCSA-N	245.059	-0.828	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1C	2248586183	WZSOIKCSGNNSKW-VHSXEESVSA-N	236.080	-0.187	50	10	BBGE	
OB(O)c1ccc(CO[C@@H]2C=CCOC2)cc1	2249210898	JJTARQBSSNAELS-GFCCVEGCSA-N	234.060	-0.162	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1coc(B(O)O)c1	2255452233	FVVPGQZYXFWATE-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
C#CCCN(C(=O)c1occc1B(O)O)C1CC1	2255483339	CGXMZOMEAVADJC-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1C[C@H]2C[C@@H]2C1	2255513127	LTPWPCFOYHAMSK-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CC[C@@H]2C1	2255515942	DZCLYCWLCOFCJK-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1ncccc1B(O)O	2255710686	ODNIZMMIMNAHKZ-BDAKNGLRSA-N	248.091	-0.511	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1cncc(B(O)O)c1	2255717795	ONTTVBLCCLQISP-PELKAZGASA-N	248.091	-0.463	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ncncc1B(O)O	2255729989	DLTSONBERQULCN-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
O=C(N[C@@H]1CCCn2ccnc21)[C@H]1C[C@@H]1B(O)O	2255765814	VEJXAFRHIOHIEJ-XHNCKOQMSA-N	249.079	-0.303	50	10	BBGE	
Cc1cc2n(n1)CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2255769574	LKSCPRQZZHDBNV-UWVGGRQHSA-N	249.079	-0.603	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)c(F)cc1C	2258092912	VWCRQPBUIBRTMX-QMMMGPOBSA-N	249.050	-0.435	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2261223748	GDSPEOVKCRIDJX-MGCOHNPYSA-N	249.079	-0.346	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1CO	2298165990	KTQDOEKNYZWVNM-NAKRPEOUSA-N	241.335	-0.437	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2298370482	ZVZMXMRXXAHQGY-SQXHDICFSA-N	238.096	-0.955	50	10	BBGE	
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463677	TVFSTJGENDBMOD-BWZBUEFSSA-N	243.068	-0.678	50	10	BBGE	
C[C@H](O)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2301347218	YQYVTYQDBIKLKQ-YUMQZZPRSA-N	234.064	-0.581	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@]2(C)CCOC2)C1	2303112075	PHNARPXCDXQTMD-MNOVXSKESA-N	241.096	-0.122	50	10	BBGE	
CC[C@H](CN=c1cc(B(O)O)c(F)c[nH]1)OC	2303847886	PUHHXJIMHWCUET-SSDOTTSWSA-N	242.059	-0.841	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]12	2313081412	KHWHHROIRRZDHB-DJLDLDEBSA-N	249.075	-0.313	50	10	BBGE	
CC[C@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2317152264	ADGVNHJSRLFKDR-LLVKDONJSA-N	248.091	-0.555	50	10	BBGE	
O=Cc1ccc(O[C@H]2C=CCOC2)cc1B(O)O	2317310534	BPINPEAYFQKAQS-NSHDSACASA-N	248.043	-0.487	50	10	BBGE	
C[C@@H](O)CNC=C(C#N)C(=O)N1CCOCC1	2318467628	DYIOXGXRMSOONT-SECBINFHSA-N	239.275	-0.777	50	10	BBGE	
O=C(CBr)OC[C@H](O)CO	33637244	OBIZXLAEEKEFMZ-SCSAIBSYSA-N	213.027	-0.722	50	10	BBGE	
N#Cc1ccccc1NC(=O)COCC(=O)NN	58850507	SNVRFKBGESXFIB-UHFFFAOYSA-N	248.242	-0.497	50	10	BBGE	
Cc1nnc(CNC(=O)CCl)n1C	82276889	HSYXCUYMNLHUIA-UHFFFAOYSA-N	202.645	-0.021	50	10	BBGE	
CCN(CC)C[C@H]1CC[C@H](C(=O)NN)O1	82466093	VBQJPGOBKCVXBP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NC[C@@H]1CCN(CCCCC(=O)NN)C1	82468100	NLZZMXZKVIPUQO-VIFPVBQESA-N	214.313	-0.573	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCOC	82469224	IZVOYFDESSPQID-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
Cn1cnc(CCNC(=O)NC(=O)CCl)n1	87766714	IXIOQESYBLMLBS-UHFFFAOYSA-N	245.670	-0.578	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@H](O)C1	110593727	MPTFWGSFGHQNJB-VIFPVBQESA-N	239.275	-0.160	50	10	BBGE	
C[C@@H](CO)N(C)CCCCC(=O)NN	125435049	WPXATSVOCWGQDF-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CS(=O)(=O)OCC[C@@H](O)CCl	142287569	QPDLBBFIGNMWNT-RXMQYKEDSA-N	202.659	-0.048	50	10	BBGE	
NCc1csc(-c2cccc(B(O)O)c2)n1	211397818	GYXGMDCRJKEIFQ-UHFFFAOYSA-N	234.089	-0.051	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H](N)CC)B(O)O	213698097	INMYVQXGWVHEKG-YUMQZZPRSA-N	216.090	-0.589	50	10	BBGE	
N[C@]1(C(=O)O)CCC[C@H]1CCCB(O)O	214899928	HBEGNHDSKKYWSU-IONNQARKSA-N	215.058	-0.178	50	10	BBGE	
CNC(=O)[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1	232300859	FLMGFKONEQZSHV-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@H]1CO	252611683	VUCUAZHFVCNBRQ-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1ccncn1	293966406	QBSBEYHQLZOKCK-MRVPVSSYSA-N	236.231	-0.583	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@](O)(C(N)=O)C1	306616678	PBAITIQPKNJIEG-XPUUQOCRSA-N	217.656	-0.961	50	10	BBGE	
OB(O)c1ncc(C(F)(F)F)cc1F	306661077	RGWXABRCMRDCJP-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
Cn1cnnc1NS(=O)(=O)CCCl	307330096	XRSWCQRPYYNLPU-UHFFFAOYSA-N	224.673	-0.204	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	307357935	XPIFCZBEPPTXNA-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
CC(CCSC[C@@H](N)C(=O)O)=NNC(N)=O	309502364	IKOYMJVFAMCNRT-ZCFIWIBFSA-N	248.308	-0.434	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@H]2C[C@H]1CO2	313793644	LZMAHALMLSMRHN-QWHCGFSZSA-N	247.103	-0.352	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(OC)cn1	382390884	TXRIEQBVTXFVKL-SSDOTTSWSA-N	214.225	-0.931	50	10	BBGE	
CCN1C[C@@H](NC(=O)NC(=O)CCl)CC1=O	391464180	BGVCRHNNWNXIJT-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CCOC(=O)c1ccc(CCC#N)c(B(O)O)c1	396137589	LWMCZCSQWZZCET-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CC[C@@H](C)OC1	401555752	CUOANDRYRVOEEL-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(CCF)CC1	402767968	HQUJCVNCQKTMEP-SNVBAGLBSA-N	246.330	-0.268	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](F)C1	685956109	XJRRBWSRSKVVSI-RXMQYKEDSA-N	211.187	-0.345	50	10	BBGE	
CCOC(=O)CN1CCC(O)(C#N)CC1	692167384	ODHWOWUYXMETIJ-UHFFFAOYSA-N	212.249	-0.100	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC2=O)s1	696372840	AJIZLMYIJYEYNE-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
CCOC[C@@H]1CCCN1[C@H](COC)C(=O)NN	696570194	UTNGCJNAVCFDHZ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=S)cn1	700886242	FULBJGJCPVZNGW-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(C)CN(C)C[C@]2(C)C1	706290633	RQUCMFBMHUMBQU-JLLWLGSASA-N	240.351	-0.362	50	10	BBGE	
CN1CC[C@H](N(C)CC(C)(C)C(=O)NN)C1=O	708561367	LVGIKVTXJWJNOH-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)CCC(=O)NN)C1	719807374	NHAISRNLLYUZOU-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
C[N+]1=C(CN[S@@+]([O])(=O)CCl)C=NC1	725595497	NJUDWHGNLNGMNV-CYBMUJFWSA-N	224.693	-0.343	50	10	BBGE	
CC[n+]1cc(C2=[S+]C(C=O)=CC2)[nH]n1	725625527	NDPCBFMLOLBYLM-UHFFFAOYSA-O	209.274	-0.193	50	10	BBGE	
C=CCNC(=S)NNC(=O)COC1CC1	899939868	YANZVJSGTQQDHY-UHFFFAOYSA-N	229.305	-0.153	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1ccnnc1	1330863030	OOQDVKANMGZJOT-ZETCQYMHSA-N	233.231	-0.213	50	10	BBGE	
N#C/C=C/CN1C(=O)N[C@]2(CCOC2)C1=O	1459030965	HIWUELNXYCJMBT-YOLVWIGZSA-N	221.216	-0.223	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCc1nc[nH]n1	1556926034	DYFGMCROOXIPIB-ZETCQYMHSA-N	227.268	-0.919	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1cnsn1	1558282763	SRLPAKGISLCNJS-QMMMGPOBSA-N	244.276	-0.540	50	10	BBGE	
Cc1cc(=NNC(=O)c2cnn(C)c2N)cc[nH]1	1646167307	UQPZEASYQVTIIM-UHFFFAOYSA-N	246.274	-0.115	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1CC12CC2	1648531164	PGGUTNBYCKCVIT-SSDOTTSWSA-N	211.265	-0.505	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CCC[C@H](O)C1	1654359038	FDPOCEQFDIGXNP-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
N[C@H](CBr)[C@H]1COC[C@H]1N	1880036520	UAZXKWRFZMREKC-HSUXUTPPSA-N	209.087	-0.318	50	10	BBGE	
C[C@H]1[C@H](O)CN1S(=O)(=O)CCCl	1880920851	OHEFEUQAUIUSRY-NTSWFWBYSA-N	213.686	-0.380	50	10	BBGE	
O=C(O)CNC(=O)NC[C@@H]1C[C@@H]1Cl	1883568216	UURDUWJVYZCDMD-WHFBIAKZSA-N	206.629	-0.003	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@H]1N(C[C@@H](O)CCl)C2	1884049423	WEYZFOULDRCOCB-RBXMUDONSA-N	205.685	-0.101	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1CN(C(N)=O)C1	1885616841	QFOZLPKXWARQIO-RXMQYKEDSA-N	219.672	-0.260	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCCC(=O)NN	1885791099	QTHSOANFOMPMDJ-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
NCC[C@@H](O)C(=O)N1CCSSCC1	1886228871	OLMBQCYOOAADCR-SSDOTTSWSA-N	236.362	-0.080	50	10	BBGE	
CN(C1COCCOC1)S(=O)(=O)CCl	1887270984	GTEKWJSOKMNIBA-UHFFFAOYSA-N	243.712	-0.140	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@H]1CC[C@H]1N	1887485311	HEIQWBXLWKBXGH-XUTVFYLZSA-N	215.322	-0.165	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1895663189	PUDMNQBINZOXRY-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@H]2C)ncc1B(O)O	1897621981	VTSYMVSCIJFLLZ-HTRCEHHLSA-N	222.053	-0.500	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCCNC1)S(C)(=O)=O	1901372694	ALARJASPSFSNRP-SECBINFHSA-N	249.336	-0.701	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3COC[C@@H]32)c1	1908819831	WICOVXRDLNEROK-PWSUYJOCSA-N	233.076	-0.803	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1	1910652272	NCLNQWDFNJPHIZ-IUCAKERBSA-N	241.291	-0.845	50	10	BBGE	
CC[C@@H]1CCN(C(=O)C(=O)NN)CCO1	1913633123	VVOLWPPANCEGJF-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H](CO)N(CC(=O)NN)Cc1ccccc1	1914329920	FALGIHWZDUUUDJ-JTQLQIEISA-N	237.303	-0.141	50	10	BBGE	
CCC1(O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927917437	KTECBPIPAMXIOL-SFYZADRCSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CC[C@@]1(F)C2	1929045461	BCDSBAPXOGVDBR-XNCJUZBTSA-N	201.201	-0.716	50	10	BBGE	
Cc1cnc(=O)n(CC(F)(F)C(=O)NN)c1	1935943043	ZKFVESPSOVVCGS-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
CNC(=O)OC1CN(C(=O)NC(=O)CCl)C1	1937465774	ANJISTVBDBVRNW-UHFFFAOYSA-N	249.654	-0.498	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2CC1(CF)C2	1937475559	IPTAEFVTWWFFGM-CCNFQMFXSA-N	231.271	-0.575	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CCCOCC1	1941737550	WUMLDKMFMYYBQX-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@H]1CC[C@H](C(=O)NN)O1)C2	1947109527	VQJYBCBWSDQTEF-DNRKLUKYSA-N	239.319	-0.134	50	10	BBGE	
CCn1nc(C)cc1CN(C)C(=O)C(=O)NN	1949603681	WUUDAVBOOSBUJM-UHFFFAOYSA-N	239.279	-0.840	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(NC(N)=O)C1	1955959816	HCHCOZIVPTVZRG-ZCFIWIBFSA-N	219.672	-0.117	50	10	BBGE	
C[C@@]1(CCNC(=O)NN)COCCO1	1957192232	GACGZTVICNVHBV-MRVPVSSYSA-N	203.242	-0.645	50	10	BBGE	
O=C(NCB(O)O)C1[C@@H]2CCCCC[C@@H]12	1960569594	TVKDASLKXGABBA-HTQZYQBOSA-N	211.070	-0.059	50	10	BBGE	
C[C@H]1C[C@H](Oc2nc(B(O)O)cs2)CO1	1961697853	ZAKCXWJUOCDIKF-WDSKDSINSA-N	229.066	-0.621	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCc1nnnn1C	1974681595	PGWAJTOKCUGYIS-LURJTMIESA-N	231.687	-0.256	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ncc(B(O)O)cn1	1976030449	TVXQSJUSSLFZSN-ZCFIWIBFSA-N	223.041	-0.859	50	10	BBGE	
Cn1cc(C(=O)NN)c(COCC2CC2)n1	1980595042	WKQPSGGSYTYJAI-UHFFFAOYSA-N	224.264	-0.050	50	10	BBGE	
O[C@@H](CCl)CN1CCCN(C2COC2)CC1	1980640026	UEEVKPRVBVZUGA-NSHDSACASA-N	248.754	-0.007	50	10	BBGE	
C[C@H]1C[C@@]1(C)Cn1cc(B(O)O)ccc1=O	1988998153	UHFOWCNPGZEUHL-KWQFWETISA-N	221.065	-0.426	50	10	BBGE	
C[C@]1(C(=O)NCC=CB(O)O)CCCOC1	1991335747	ZLKNPNKFSRDDRF-JTQLQIEISA-N	227.069	-0.513	50	10	BBGE	
C=C(CN1CCC[C@@H]2[C@@H]1CCN2C)B(O)O	1992158666	BUVYOOXIAYDKRO-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)C[C@H]1CO	1993217096	GHHLHOKWEIFNOD-HIQWKFPQSA-N	247.678	-0.348	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1996645569	LIALNQXBCWLKSO-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
CN(C[C@@H](O)C1CCCCC1)C(=O)C(=O)NN	2002369416	DFRHZMZMEWTQJQ-SECBINFHSA-N	243.307	-0.624	50	10	BBGE	
CCN(C[C@H](C)OC)c1ccc(B(O)O)cn1	2004917053	UCJKNESNHKWFJD-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Oc1ncccc1B(O)O	2004951582	NPJRJCCKRCZIKT-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
Cc1nc(N2CCC[C@H]3C[C@@H]32)ncc1B(O)O	2004974463	KQUPQXDUZFXCPA-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](CF)C2)c(F)c1	2005013785	APOBPDYFVKPGTB-ZETCQYMHSA-N	242.034	-0.304	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@]1(C)COCCO1	2005977808	MFJYOZCEVWEWHT-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@@H]1C1CC1	2014006480	KURLIDQUOZFQIY-JQWIXIFHSA-N	241.335	-0.008	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ccc(B(O)O)cc1	2020032900	LUQMCCJXSMVVTG-VIFPVBQESA-N	231.060	-0.036	50	10	BBGE	
C=C(Cn1ccn2nc(C)cc2c1=O)B(O)O	2021159821	ZOYUDXNEXDTRDN-UHFFFAOYSA-N	233.036	-0.627	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2(CC2)C1	2022195947	DLXNOWRJHQOESO-UHFFFAOYSA-N	231.060	-0.398	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@@H]4C[C@@H]43)(C1)C2	2023853249	KNKIRLYMSMTAFV-RBLKWDMZSA-N	237.303	-0.380	50	10	BBGE	
COC1CC2(C1)CN(c1ccncc1B(O)O)C2	2052469585	SMBQSPISZHXGHC-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@@H]2CCC[C@@H]21	2052490197	APSCNSOLRDKKHR-WDEREUQCSA-N	248.091	-0.481	50	10	BBGE	
CCOc1cc(C)c([N+](=O)[O-])cc1B(O)O	2060033373	NBCDZTHPLZPKLG-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCc1c(OC)cc(OC)cc1B(O)O	2060055603	YRQXAMIOPUMURT-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3COC[C@H]32)c1B(O)O	2077840698	CVDUEHKKNFAVMG-NXEZZACHSA-N	248.091	-0.705	50	10	BBGE	
C[C@H](CN(C)C[C@]1(F)CCOC1)C(=O)NN	2212153849	SJKOFOJBZYJSDT-PSASIEDQSA-N	233.287	-0.327	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215775586	HVUNBEHAXDNZTA-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@H](O)[C@H]2CC3)CC1	2216252849	NHBURHBKKPDDJN-BBBLOLIVSA-N	239.319	-0.256	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H](CF)C2)CCC1	2216493934	OXJSCEKUZOZBNW-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
CC(C)[C@@H](O)CN(C)c1ncccc1B(O)O	2217183000	ICDOQKAZMGJLPL-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
CN1CCC[C@H]1COc1cc(B(O)O)ccn1	2217188380	NJZZBIHXSULIRH-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
CC(C)[C@H](N)CCOc1cc(B(O)O)ccn1	2217192104	MTAUSLFCZNKLQS-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@H]1[C@@H](Nc2ccc(B(O)O)cn2)CCN1C	2217203365	TZIQTOAJUYWXBC-WPRPVWTQSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@]23CCCOC3)nc1	2223647032	SEAXTDPJURAOCA-JQWIXIFHSA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(NC[C@@]23CNC[C@H]2C3)cc1B(O)O	2223652263	HNJLDTRTUQBZTA-BXKDBHETSA-N	247.107	-0.909	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN2CCC[C@H]12	2223667682	UQQMBDRNHNZXDP-GHMZBOCLSA-N	247.107	-0.590	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)[C@@H]2CC[C@@H]21	2223675490	WYAFEYPUEKXNAV-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2COC[C@H]2C2CC2)nc1	2223677248	LRQVEHDUTCOZLR-WDEREUQCSA-N	248.091	-0.402	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCCC[C@@H]1C2	2224029428	IOKWIHJZSOCXSD-BXKDBHETSA-N	248.091	-0.497	50	10	BBGE	
CP(C)(=O)CNC(=O)C1(B(O)O)CC1	2241473904	SFYXERLPGWUTSS-UHFFFAOYSA-N	218.986	-0.310	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]2C[C@H]2C1	2243362156	NBBPTAKQLKMAEB-LPEHRKFASA-N	221.065	-0.351	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2C)oc1B(O)O	2243377924	JKJXHONELMZPEO-FSPLSTOPSA-N	223.037	-0.594	50	10	BBGE	
C[C@]1(NC(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2243401472	ROTBXKWBGFTXME-VDTYLAMSSA-N	234.970	-0.541	50	10	BBGE	
CC1(C)CCOCCN1C(=O)C#CB(O)O	2243401615	USGQVYWKMCUTOP-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)c(C)c1	2243409741	NVRIJUPSTSERTM-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
CCCN(O)C(=O)c1c(C)nsc1B(O)O	2243414620	FELHTYYEMABVIT-UHFFFAOYSA-N	244.081	-0.627	50	10	BBGE	
C=C=CCC(=O)NCc1ccc(B(O)O)s1	2243678293	HHXRUSXKZDRCFF-UHFFFAOYSA-N	237.089	-0.225	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(c2nncs2)C1	2244050845	BAHVQHQEPHBANO-ZCFIWIBFSA-N	241.320	-0.294	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1occc1B(O)O	2245941551	NTVCHFMDKMUSSN-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]2C1)C(=O)C#CB(O)O	2247743414	DCDDJHTVOIJFAT-GMTAPVOTSA-N	235.092	-0.104	50	10	BBGE	
CCC[C@H](C)NC(=O)c1nn(C)cc1B(O)O	2247745859	PYHZAOQNPGMZFT-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC=CC1	2247751985	GMVVFASIUILPTN-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
N#CCCNC(=O)c1cccc(B(O)O)c1F	2247752488	QHGYHVNJBHXCQK-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
O=C(N1Cc2cncnc2C1)C1(B(O)O)CC1	2247753088	BHYKATHNEPAHCF-UHFFFAOYSA-N	233.036	-0.674	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)[C@@H]1C[C@H]1C	2247753151	CAPLKGSQXJUIDR-GJMOJQLCSA-N	237.064	-0.266	50	10	BBGE	
O=C(Nc1nnc(C2CC2)o1)C1(B(O)O)CC1	2247757912	YJAONDIYODCXNT-UHFFFAOYSA-N	237.024	-0.108	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2247796605	BESDLIBHNNFRQD-JLIMGVALSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H]1COC2CC1C2)[C@@H]1C[C@H]1B(O)O	2247804153	FLVMFYYMUHRCHP-JNORSNDXSA-N	239.080	-0.610	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806054	CZKKXJYYNBIUOR-UTLUCORTSA-N	241.096	-0.125	50	10	BBGE	
NCCc1cccc(NC(=O)C#CB(O)O)c1	2247847867	CQMCPVPRTZVGFK-UHFFFAOYSA-N	232.048	-0.858	50	10	BBGE	
C[C@@H]1CCCC[C@]1(CN)NC(=O)C#CB(O)O	2247848082	GUVLBCXGXREOEQ-MWLCHTKSSA-N	238.096	-0.974	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]2C1	2247858402	DRTDPBJPVAUHCY-LJIZTFJLSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1ccoc1B(O)O	2247868856	IRVMDQZKKJZGFL-QMMMGPOBSA-N	235.048	-0.368	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccncc2B(O)O)[C@H]1C	2247872652	WREOTQIFQCZNMO-YUMQZZPRSA-N	234.064	-0.758	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	2247874091	JAYYNCURMCZPSG-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
Cc1nccnc1CNC(=O)C1(B(O)O)CC1	2247877914	GKOHMIANGWUXCH-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)C1)C1(B(O)O)CCC1	2247879511	TUZKKOZSXOYMRA-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
O=C(NCC1OCCCO1)[C@H]1C[C@@H](B(O)O)C1	2247895486	TWENHLZHECBYLV-OCAPTIKFSA-N	243.068	-0.881	50	10	BBGE	
COCC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899844	QQFYTITZUJAWIC-LRHSEUGZSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248072576	SSJFJWHLHRNMIF-OOJXKGFFSA-N	237.259	-0.993	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248573857	KMQMPBUNRNFCPI-XLPZGREQSA-N	243.068	-0.439	50	10	BBGE	
O=C(N[C@H]1C[C@H](C(=O)O)C1)C1(B(O)O)CCC1	2248594260	VGOPQTNZJBSLFL-LJGSYFOKSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)co2)C1(F)F	2249417447	GMLWNDDUJZDWOF-CLZZGJSISA-N	244.990	-0.657	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2cc(B(O)O)co2)C1	2249419102	CJLWTNVHMJWMKV-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
Cc1cccnc1NC(=O)c1c[nH]nc1B(O)O	2255564612	QNPZUUHIPNREBF-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1ccccn1	2255680656	RXDBOMBGLZVFDF-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
C[C@@]1(CNC(=O)c2c[nH]nc2B(O)O)C=CCC1	2255688283	SYMAPXLKVDHWCA-LLVKDONJSA-N	249.079	-0.824	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ncccc2B(O)O)C[C@H]1C	2255690344	ZISKSHWAASYTEX-WEDXCCLWSA-N	248.091	-0.464	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cccc(F)c1B(O)O	2255725909	ZTUOCNJKZXWTHR-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)ccc1O)C1CC1	2256018205	LHQJTFFYWIXDFY-SSDOTTSWSA-N	249.075	-0.400	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258121853	UUZZYQQNYYYEAP-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
NC[C@H]1CCCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371419	KWYYUNHVNUAXMV-OPRDCNLKSA-N	240.112	-0.563	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCN2C)c(B(O)O)c1	2298958541	VYLGZARXTUABCF-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
CC(C)[C@@H](CO)N(C)c1ccc(B(O)O)cn1	2302493098	TZASQDJVHVDOTM-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303836393	LWOSBFXZVNANBR-RCOVLWMOSA-N	240.043	-0.653	50	10	BBGE	
C[C@H](CN(C)C)N(C)c1ncccc1B(O)O	2306853180	UEPUKYKDNWGMTD-SECBINFHSA-N	237.112	-0.852	50	10	BBGE	
C=C1COCCN(C(=O)C2CC(B(O)O)C2)C1	2306890158	LYDOJWXSKBEQML-UHFFFAOYSA-N	239.080	-0.346	50	10	BBGE	
CC1(C)C[C@H](Oc2cncc(B(O)O)c2)CO1	2307747954	UREJZQUWLKPVBD-JTQLQIEISA-N	237.064	-0.292	50	10	BBGE	
C=CC[C@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2317310922	IAJDPCPKGLJZLI-LLVKDONJSA-N	249.075	-0.472	50	10	BBGE	
O=S(=O)(CCCCl)NCCCO	40810082	JPAFBULOZAQYMS-UHFFFAOYSA-N	215.702	-0.083	50	10	BBGE	
C[C@@H](CC(=O)NN)NCc1cccnc1	58838539	QUWDGBHFEIWZNV-QMMMGPOBSA-N	208.265	-0.060	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCN(C)CC1	82466528	OHCTZAXRAQJJTF-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)CCCN1C(=O)CSC1=O	82468309	WHYBYESTDYYCCG-UHFFFAOYSA-N	217.250	-0.548	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]([C@@H](C)O)C1	166155055	ITGXQOOXWZHKKL-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	167563184	DEFVYNIQASSFCI-WDSKDSINSA-N	240.712	-0.290	50	10	BBGE	
CCCN(CCO)C[C@H]1CC[C@@H](C(=O)NN)O1	223103079	UHWTZSYWCDLZHC-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	223125441	INQOEHWRTFTIKY-VGMNWLOBSA-N	241.291	-0.608	50	10	BBGE	
CCCCOCCO[C@H](COC)C(=O)NN	232417924	XIMHCOMPZLSRKQ-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@@H](C)C1	232420781	YAOJJMRVXWRZEV-JGVFFNPUSA-N	233.337	-0.571	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)C[C@@H]1C	235106310	HXDKAUKCFCHJDN-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1O[C@H](CN(C)C)C/C1=N\NC(N)=O	238507333	JTMUOEXHTKFACI-YTDODQQISA-N	214.269	-0.250	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)[C@H](C)COC	251217531	LWYUHAKGMGXVTH-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CCN1CCN(c2cc(C)c(B(O)O)cn2)CC1	253181446	GSERHRGCMXEHOC-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
[C-]#[N+][C@@H]1C[C@H](n2ccc(O)nc2=O)O[C@H]1CO	253684178	KEPYLRFTUFPYBU-BKPPORCPSA-N	237.215	-0.483	50	10	BBGE	
Cn1c(=O)oc2ccc(CNC(=O)NN)cc21	258673717	CYWRNNZSBCDIST-UHFFFAOYSA-N	236.231	-0.196	50	10	BBGE	
C#CCC(CC#C)C(=O)NN(C)C(N)=O	288608895	UVQHSPQHYLESEU-UHFFFAOYSA-N	207.233	-0.309	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@@H](C)C1	300967067	WIPWZXNWEBVTSZ-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
COCC[C@@H](COC)N1CC(=O)OC(=O)C1	309275948	DUOCIPIUQPANFZ-QMMMGPOBSA-N	231.248	-0.577	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1c1nncn1C	380217650	VKXPULXNNZRQCG-HTQZYQBOSA-N	238.295	-0.670	50	10	BBGE	
COC[C@]1(C)CCN([C@H](C)C(=O)NN)C1	381400515	VDGXBDMWDBAXKU-PSASIEDQSA-N	215.297	-0.277	50	10	BBGE	
O=CCCc1cc(C(=O)O)ccc1B(O)O	396134029	UEULXYUFYZCPOU-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
O=C(O)c1cc2ccc(B(O)O)c(O)c2s1	396379936	IZUIQASAXCVNRI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC[S@@](C)=O	399917916	OVELFUJCJPPGHP-VXJOIVPMSA-N	235.353	-0.689	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401639965	ZOPMHEMWXNQGAO-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[S@](=O)Nc1ccc(B(O)O)cc1F	405189465	RZFDWXXWVFNWDO-AWEZNQCLSA-N	217.030	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2COC[C@@H]21	690716267	HYMNRDHLOJTCLC-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H](OC)C1CC1	692225918	ZLWPHVZBKGHRGU-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
NC(=O)COCCNC(=O)OCCl	692834603	WGSBJJWIZMFIJH-UHFFFAOYSA-N	210.617	-0.589	50	10	BBGE	
OB(O)c1ccn(CCCC(F)F)n1	694226573	DQJKJUBYRLZKSN-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
Cc1cccc(CCn2ccc(B(O)O)n2)n1	694308311	KYOFMQWPIQVZLS-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
COC[C@@H](CO[C@@H](C)CCC(=O)NN)OC	695710038	MPUULFHEVMKEGY-IUCAKERBSA-N	234.296	-0.177	50	10	BBGE	
COc1ccc(CN2CC[C@H]2C)cc1B(O)O	706813585	CKSNIHXCPOIJPU-SECBINFHSA-N	235.092	-0.031	50	10	BBGE	
CO[C@H]1C[C@H](CN2CC(=O)OC(=O)C2)C1	714601634	IXIKEKOAKKCGNC-ZKCHVHJHSA-N	213.233	-0.203	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H](C1)C2(F)F	715398980	CLJKOCPVCHZQRK-WDSKDSINSA-N	205.208	-0.437	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC([C@@H](C)O)C1	719808004	SZXPZWVIFPBAOI-SVRRBLITSA-N	201.270	-0.933	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(N)=S	723518502	JFJJVRPTWSGCKX-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
O=CC1=C[C@@H](N2CC(O)C2)C(=[N+]([O-])O)S1	725688898	TVRVBKFXVAPORY-SSDOTTSWSA-N	230.245	-0.841	50	10	BBGE	
O[C@H]1CN(C[C@H]2[N]C(CCl)=CS2)C[C@H]1O	725712123	VEENYVAPNNTUDA-YIZRAAEISA-N	249.743	-0.219	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)c1cn[nH]c1	794852941	ZZLBWCLYMSVJJI-VIFPVBQESA-N	238.247	-0.335	50	10	BBGE	
CC1(C)CC[C@H]1C(=O)NNC(=O)CO	857168936	DGWRDIKFPVAFQD-LURJTMIESA-N	200.238	-0.438	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H](O)C2CC2)O1	862892653	RLOYTTGSHICVJC-FTLITQJKSA-N	242.275	-0.528	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1ncon1)n1cccc1	1179588082	BASITTGIUNPSMN-ZETCQYMHSA-N	249.230	-0.107	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)ccc2F)C1	1453261311	FPCMRHOEXKFUKJ-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
CCS(=O)(=O)N(C)CC(=O)NN(C)C1CC1	1469219609	COTVYKDTWRFNOD-UHFFFAOYSA-N	249.336	-0.607	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)N(C)C	1625912430	MRKXKDZXUMTBPA-UHFFFAOYSA-N	225.252	-0.355	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)c1ncon1	1636448032	PFUYUTAUEQDJKZ-UHFFFAOYSA-N	226.192	-0.800	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)CCCl	1882409696	WFBVHEAZGXPBQJ-RRKCRQDMSA-N	227.713	-0.086	50	10	BBGE	
CCn1nnc(CNOCCCl)n1	1883709370	OTWVPWNWQJYSTF-UHFFFAOYSA-N	205.649	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1885275788	XQLVBHKCDATXFO-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
CO[C@@H](C)COCC1(C(=O)NN)CC1	1886076765	MTVOYBOQBMDUJS-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
CN(N)C(=O)[C@@H](C1CC1)S(C)(=O)=O	1886834506	NTAYWRWKOFIHIU-ZCFIWIBFSA-N	206.267	-0.858	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2CF)CC(=O)O1	1888743134	FFJGQQWTYIBXPX-RQJHMYQMSA-N	201.197	-0.023	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(O)CC1	1889009674	HEIMZSOBTWDFOO-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CC[C@@H](CN1CC[C@H](B(O)O)C1)OC	1891493747	XNKHEKGQKVAKCH-IUCAKERBSA-N	201.075	-0.040	50	10	BBGE	
O=C1CCN(C[C@@H]2C[C@@H]2Cl)C(=O)CN1	1893098529	JALMEEZUGAUWGL-BQBZGAKWSA-N	216.668	-0.038	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@H]1CN2	1893497126	BSGYBTAFCPXQSL-RIKBEKRRSA-N	214.652	-0.119	50	10	BBGE	
CN1CCC[C@H](OCCC(=O)NN)C1	1895024909	GNYHVZWZLWILNB-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CN(CCF)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1896928822	LIZPYPLLYFCUNP-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(F)C[C@@H]1C	1898072128	MCAVGFPBWHZYTL-XKSSXDPKSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](CNC(=O)C(=O)NN)(C2)O1	1902607018	RKDSOQKBFHIXFU-XSSZXYGBSA-N	227.264	-0.950	50	10	BBGE	
CC[C@](C)(CN1CC([S@@](C)=O)C1)C(=O)NN	1902714784	YTHIOHZMSHNSFI-QLJPJBMISA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3C[C@@H]32)ncc1F	1903006372	SBZNDRVFULDGTJ-RCOVLWMOSA-N	222.028	-0.501	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H](C(F)(F)F)C1	1904946694	UKNYMGNIWKSDTI-OLQVQODUSA-N	234.970	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1906866352	FHNFIGKBARHVMW-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@H](C)[C@@H](C)C(=O)NN	1907703219	BDYFXRGNTNYBRK-DOLQZWNJSA-N	245.323	-0.654	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@H]1C1CC1	1908855463	ZAFYCGOCPQVHPC-HLUHBDAQSA-N	241.335	-0.010	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1909261210	LQPUSFKDYLYPEZ-JLIMGVALSA-N	245.298	-0.329	50	10	BBGE	
C[C@H](CO)N(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909809184	UJLJTAJTYVTSQJ-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCN1CC2(CCOCC2)C1	1915590532	QCNLAVWCAIJAMW-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
NNC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1N	1923215655	FUXUSJKITAEYRP-WDEREUQCSA-N	234.303	-0.564	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCC(F)(F)C(=O)NN	1927816894	UBFANKMRJSXJBT-RITPCOANSA-N	224.207	-0.337	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@H]1COC[C@@H]1Cl	1928973159	UFLPPNJIJFZBKD-XSPKLOCKSA-N	221.684	-0.004	50	10	BBGE	
C[C@H]1CCC[C@H]1Cn1ccc(B(O)O)n1	1930304051	YMTGBKWINBJBGW-IUCAKERBSA-N	208.070	-0.001	50	10	BBGE	
O=C(CCl)N1CC[C@@H]2CS(=O)(=O)C[C@H]21	1931357631	MMPZUYSLLBINSH-RNFRBKRXSA-N	237.708	-0.129	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H](O)C(F)(F)C1	1931831102	SLKIUTKBMWUXHV-YFKPBYRVSA-N	249.666	-0.133	50	10	BBGE	
CN(C[C@H]1CCOC1)CC(F)(F)C(=O)NN	1935926687	SCXMNWGHZNLASK-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
Cc1ncn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1C	1941083118	MYPYSOUOMXVIKM-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
OB(O)c1cncc(OCc2ccncn2)c1	1941974548	FXPNSACIQCZRKN-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
C[C@@](O)(CCO)CNC(=O)CBr	1953595002	FEPCDZWJIWZEAW-SSDOTTSWSA-N	240.097	-0.369	50	10	BBGE	
ClCc1nnnn1[C@H]1CO[C@@H]2COC[C@@H]21	1958917390	KJCSWZRRFNUMSD-DSYKOEDSSA-N	230.655	-0.002	50	10	BBGE	
CC[C@@H](O)CN(C)CC1(C(=O)NN)CC1	1959511582	SZIMPLYOHNMWKE-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1	1959602801	JCMLTGZNSQNQBK-SECBINFHSA-N	212.253	-0.828	50	10	BBGE	
CC(C)CCOc1ncc(B(O)O)cn1	1961712437	LVIZISCMHRHNST-UHFFFAOYSA-N	210.042	-0.419	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2OCC[C@H]2F)cc1	1968604965	ZVBBYFIXSFXYSY-GHMZBOCLSA-N	240.039	-0.128	50	10	BBGE	
CC(C)[C@@H](O)CN(C)CC(C)(C)C(=O)NN	1979849589	PXUFUEOELUUZFW-VIFPVBQESA-N	231.340	-0.049	50	10	BBGE	
Cc1cnn(C2CN([C@H](C)C(=O)NN)C2)c1	1980791920	YCHTUDMVVQZJAE-MRVPVSSYSA-N	223.280	-0.573	50	10	BBGE	
NNC(=O)CN1CCC(n2cccn2)CC1	1980860640	XHKXKDCURXJSFR-UHFFFAOYSA-N	223.280	-0.490	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[S@](=O)C(C)(C)C1	1980949241	FWPNORZRFLIGNF-PWJLMRLQSA-N	247.364	-0.402	50	10	BBGE	
CC(C)[C@H]1CCN1c1ncc(B(O)O)cn1	1981409179	JSLVXHIFLGOVNS-SECBINFHSA-N	221.069	-0.609	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCC2CC2)n1	1981418937	QMQMFPYHBKMIGF-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
COC[C@H](C)Oc1ncc(B(O)O)cc1F	1981420500	MAGSEGBGWQKJFK-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
C=C[C@@H](C)CC(=O)N[C@H](CB(O)O)C(=O)O	1981695456	CVEOENXNPKRLAT-RNFRBKRXSA-N	229.041	-0.759	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@H](CO)C[C@H]2C1	1982122037	RICFTUPHROTRBF-GUBZILKMSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)c1ccc(Cn2cncn2)cn1	1983346419	GQSUMKXQTSIASC-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
CCN(CC1(O)CCC1)[C@@H](C)CC(=O)NN	1985212926	PQHHYOALUZGCPM-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@H](OCCn1cncn1)C(=O)NN	1986444896	HHHZRSBZSAXCCR-QMMMGPOBSA-N	227.268	-0.691	50	10	BBGE	
C=C[C@@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1990540442	RYJQMYVRWCOYQJ-MWLCHTKSSA-N	227.308	-0.376	50	10	BBGE	
COC[C@@H](C)CN(C)CC(=O)NNC(C)=O	1990774605	LCWUVDSYBLXEOP-QMMMGPOBSA-N	231.296	-0.632	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1	1998137164	IVAVNJKLLVUQNN-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2C(F)F)c1B(O)O	2004973865	BCYOCFDSIVIKCQ-LURJTMIESA-N	243.022	-0.691	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CC2)C[C@H]1CO	2005388429	FQAJMCXPERNGCA-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)CC1(C(=O)NN)CC1	2006198833	NEWQVNODDMIDDH-ILWJIGKKSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](F)[C@@H](CO)C1	2008030218	FILKVYYTYQHKOY-NXEZZACHSA-N	247.314	-0.201	50	10	BBGE	
COCC(COC)CN(C)[C@H](C)CC(=O)NN	2022020588	SZFJRNISZLCYKA-SECBINFHSA-N	247.339	-0.404	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2cnc(C)nc2C1	2025606444	ALLINONTGBHIAV-JTQLQIEISA-N	235.291	-0.131	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1ccncc1B(O)O)C2	2026850129	VUFSROMAWCOLPL-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@@H]21	2040764917	JMVAKOINTCZJGU-QNSHHTMESA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCCCC[C@@H]32)nc1	2052473832	XSIGSUQBFAAGNK-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccc(O)nc1	2076078094	FBFSFLINTQSOSG-SECBINFHSA-N	248.047	-0.382	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F	2079009474	IARWRFSDYTWZFF-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccccc1B(O)O)C2	2079010366	ZEJQCAWKTJOTDI-TVQRCGJNSA-N	245.087	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2cnc(C)nc2C1	2085303919	ULWLWBHSTLPEIO-UHFFFAOYSA-N	249.274	-0.732	50	10	BBGE	
CN(C)C[C@@H](Cl)CN=c1[nH]ncn1C	2209808197	UXNGRLTYVYMZIE-ZETCQYMHSA-N	217.704	-0.182	50	10	BBGE	
CN1CCC[C@H](COC(F)(F)C(=O)NN)C1	2211308306	GMDBLHHXGSUEDN-ZETCQYMHSA-N	237.250	-0.073	50	10	BBGE	
C[S@](=O)C1CN(CC2(C(=O)NN)CCC2)C1	2212248770	FCOOQHONQDMISO-INIZCTEOSA-N	245.348	-0.791	50	10	BBGE	
NC1(CNc2cc(B(O)O)ccn2)CCC1	2212602383	CNZZMWJBRTUPQJ-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)ccn1)[C@@H](C)N	2212608313	RMWODXKVMKRJOU-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2[C@@H](O)CCC[C@@H]2C1	2213405297	LXNOACNMKSTLDI-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215775665	IJZZQCKLHDGCRI-HLTSFMKQSA-N	241.291	-0.750	50	10	BBGE	
COCCC1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215776843	PCNUMMRBRGNCMV-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCOCCO2)CCCC1	2216883787	NYQIWAPXMLVCQM-UHFFFAOYSA-N	243.307	-0.200	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H](F)C2)[nH]c1	2217176911	BWBNTNLETCTCKT-VXNVDRBHSA-N	239.059	-0.872	50	10	BBGE	
C[C@H]1C[C@H](Oc2nccc(B(O)O)c2F)CO1	2217190462	NMNMCJFTXYVPKV-BQBZGAKWSA-N	241.027	-0.543	50	10	BBGE	
CC(C)[C@@H](N)CCOc1cc(B(O)O)ccn1	2217193426	MTAUSLFCZNKLQS-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCCO1	2217205350	XOSMJOAZVJAKLK-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
C[C@H]1C[C@H](O)CN(Cc2cccc(B(O)O)c2)C1	2220064037	VPQQYLJYVWGWJF-GWCFXTLKSA-N	249.119	-0.431	50	10	BBGE	
CO[C@H]1CC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2220589540	UCJQCERQUKUAPG-MNOVXSKESA-N	249.075	-0.270	50	10	BBGE	
Cc1cnc(NC[C@H]2CNC[C@@H]2C)cc1B(O)O	2223654123	XEKSKTXWFAXHNY-WCBMZHEXSA-N	249.123	-0.663	50	10	BBGE	
Cn1c(O)cn(C[C@H](O)CCl)c1=O	2241379496	KRHGGIHUNKZLRM-RXMQYKEDSA-N	206.629	-0.508	50	10	BBGE	
O=C(CCl)N[C@H]1COC2(COC2)C1	2241845591	AFDPABASULCORC-ZCFIWIBFSA-N	205.641	-0.101	50	10	BBGE	
C[C@](CO)(NC(=O)C1(B(O)O)CC1)C(F)F	2243363121	BIEBABLTYOFODX-SSDOTTSWSA-N	237.011	-0.874	50	10	BBGE	
O=C(NC1CC(F)C1)c1sncc1B(O)O	2243385204	FAHDNXVZBQPFSY-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
Cc1ncsc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243397154	WOYQXVKLGJEGSS-NKWVEPMBSA-N	240.093	-0.069	50	10	BBGE	
CCCN(OC)C(=O)c1ccc(B(O)O)o1	2243400895	JIIASLVVGDKJLG-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
C[C@@H](CN(C)C(=O)C#CB(O)O)C(C)(F)F	2243405086	ZHTKDCZJEVKTAO-ZETCQYMHSA-N	233.023	-0.249	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1[C@H]2CCC[C@H]21)B(O)O	2243412652	QTFFGEBCVQOGBS-BRPSZJMVSA-N	245.109	-0.728	50	10	BBGE	
O=C(NCCC1(O)CC1)[C@H]1C[C@@H](B(O)O)C1	2243413615	KCSWFDWASSEVEM-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C(=O)[C@@H]2CCC[C@H]21	2243425843	BOVJFDLWPFPULS-OOJXKGFFSA-N	223.037	-0.613	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H]2B(O)O)[nH]c1C	2243426769	LRPHXFXXTFCYFN-NKWVEPMBSA-N	223.041	-0.172	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cocc1B(O)O	2244212810	VPBBWZHJMXGRJO-QMMMGPOBSA-N	223.037	-0.512	50	10	BBGE	
CC(C)(CCN1CC[C@@]2(O)C[C@H]2C1)C(=O)NN	2246743645	OBDUDOXKDYQPIS-JOYOIKCWSA-N	241.335	-0.151	50	10	BBGE	
Cn1cc(CNC(=O)C2(B(O)O)CCC2)cn1	2247722163	KRWHEVZADCQJOC-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@H]1C[C@@H]1C	2247732758	IXXUZYZSDYFMMX-RCOVLWMOSA-N	237.064	-0.252	50	10	BBGE	
CC1CC(N(C)C(=O)c2ccoc2B(O)O)C1	2247740315	ISOYPAHTKNCJGW-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1CCCCC[C@@H]1CO)C1(B(O)O)CC1	2247758845	XYHRXNIZGSMQLC-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247759233	YYLYIKGZUJOIPB-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H](O)C(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787466	PMPOAFAMHRINAE-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
COC[C@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787644	ROSRACZWYJLKSE-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(C1CCC1)C1CNC1	2247790472	HRBPXKPFLBDNGZ-NXEZZACHSA-N	238.096	-0.798	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)n(C)n1	2247790585	FPHPNOYRMUNVKE-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791215	LTXPSJFVGBHHAC-WCABBAIRSA-N	242.128	-0.175	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)[C@H]1C[C@H]1B(O)O	2247797364	ISZYQPWNPBUHMW-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
O=C(NCC1(CO)CCCC1)[C@@H]1C[C@H]1B(O)O	2247799455	DFQIHVQFQHBHSX-RKDXNWHRSA-N	241.096	-0.482	50	10	BBGE	
O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1C[C@@H]1B(O)O	2247803528	BNPVCIUCHBTBML-UTINFBMNSA-N	239.080	-0.467	50	10	BBGE	
CC[C@@](C)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(N)=O	2247807995	JPPZRMWTTZRPKT-BRDIYROLSA-N	242.084	-0.990	50	10	BBGE	
O=C(N1CC[C@H]2COCC[C@H]21)C1(B(O)O)CC1	2247854148	XWNXUNBRAYPTIC-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NOC(C)C)c1	2247873558	DKKDXAQWWOUGOY-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247880392	ZYBHOYBJRDEUDK-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCCCOCC1CC1)[C@H]1C[C@H]1B(O)O	2247895628	UQLMBJLOYZEACK-VHSXEESVSA-N	241.096	-0.218	50	10	BBGE	
CN1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2247899035	JSSULXRPFFIAJU-HLTSFMKQSA-N	240.112	-0.552	50	10	BBGE	
NCC12CC(CN1C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904973	SBOQTTSUUBDXLV-SNWHPCCYSA-N	238.096	-0.811	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)NN1CCC1	2247969617	CVUKRIDYZHXFGU-UHFFFAOYSA-N	235.052	-0.891	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2248585100	GMQYQKSBMSZVES-GJMOJQLCSA-N	243.068	-0.534	50	10	BBGE	
O=C(NC1(C(=O)O)CC=CC1)[C@H]1C[C@H]1B(O)O	2248587808	UWTCBVMSIGENOU-NKWVEPMBSA-N	239.036	-0.861	50	10	BBGE	
CC(C)CCONC(=O)c1cc(B(O)O)co1	2249417702	JVIWPKSLESLLBS-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249432843	DILXZEYEOPYIKL-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2249999044	QPPCAHRMYAYFSA-KAMPLNKDSA-N	233.076	-0.590	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1coc(B(O)O)c1	2255454796	RYFMXHVRXWBGJL-SKDRFNHKSA-N	249.075	-0.121	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2ccc(B(O)O)o2)C1	2255466005	RTRPULFGXDVNQU-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC2CC1C2	2255509684	NXIUNXCVILNVPJ-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]1CC1CC1	2255693380	ZUJVWEVKGZANDP-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)cn1C)C1CC1	2255716190	AZCGRYWOXTWVHT-UHFFFAOYSA-N	248.091	-0.505	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cccc(C)c1B(O)O	2255735995	FJYKDTCZJQNFGO-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3C2(C)C)ncc1B(O)O	2257069713	CBDVTNMENARQNE-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)c1ncc[nH]1	2258121422	OLQIGWVTCLLHGL-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)c1cn[nH]c1	2258139193	TZGIAMQGFVPQQB-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC[C@H](F)C1	2299875945	QIJNFMILGDPWBK-IWSPIJDZSA-N	245.059	-0.564	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC([N+](=O)[O-])C1	2300400389	RVKMDCUXSDOPQT-APPZFPTMSA-N	242.279	-0.647	50	10	BBGE	
CC(C)=C(CN(C)Cc1ncnn1C)B(O)O	2301954394	ZIHKSLYGCIBJHP-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1CC[C@H]1C(=O)NN	2302496417	KUYPOEFABJCCOS-MXWKQRLJSA-N	243.351	-0.049	50	10	BBGE	
COc1n[nH]cc1C(=O)N1CC[C@H](B(O)O)C1	2303108106	DWFAMMXZRDHWMP-LURJTMIESA-N	239.040	-0.893	50	10	BBGE	
CN(C)C(=O)CCCN1CC[C@@](C)(B(O)O)C1	2303131873	DDFMXQFEEHQPRZ-LLVKDONJSA-N	242.128	-0.206	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1[C@@H]2CO)C(=O)NN	2303410921	QVFRAPAPGHXRNN-SVDPJWKOSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	2303420285	SPWADTVSCHPUIX-WYFGTUCQSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2310663360	YCXDTUPRXLELIG-HLFIEIIFSA-N	248.066	-0.255	50	10	BBGE	
C#C[C@H]1N(C(=O)c2cocc2B(O)O)CC1(C)C	2314516187	XJSOEAZZUUCAOD-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
C#CCCCCCCN=c1ncc(B(O)O)c[nH]1	2316829495	RGNCVZZJEOICSX-UHFFFAOYSA-N	247.107	-0.426	50	10	BBGE	
N/C(=N\[N+](=O)[O-])Nc1nc(CCl)no1	5287487	IRRJRHPUCBCHDC-UHFFFAOYSA-N	220.576	-0.273	50	10	BBGE	
C[C@H](O)CN(C)Cc1occc1C(=O)NN	82468158	HQTDLXLNYXAHHA-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCC2=O)O1	82468373	ZDLBXYRKVXDPDM-SFYZADRCSA-N	227.264	-0.854	50	10	BBGE	
CC(C)CN(CCN(C)C)[C@@H](C)C(=O)NN	82469453	DEEXUGGQQWWLMO-JTQLQIEISA-N	230.356	-0.116	50	10	BBGE	
C[C@H](CN1CCOCC1(C)C)C(=O)NN	82470288	PUEIZFUYIAWFNV-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H](N)C1	86313586	OOEFTGXVIFUSTF-YIZRAAEISA-N	214.313	-0.576	50	10	BBGE	
CC(C)(Cn1ccsc1=O)C(=O)NN	86598176	XDFWUPPSOUCVGE-UHFFFAOYSA-N	215.278	-0.074	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCOCC1CC1	87400291	FUCVKWWRGQSOOB-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H](C#N)C1	226178733	LUQYBHYLCHBJET-BDAKNGLRSA-N	226.280	-0.631	50	10	BBGE	
C[C@H](CO)N(C)Cc1cccc(C(=O)NN)n1	235464105	DZSGVRJHLVBSDH-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
O[C@H]1[C@H](Cl)[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32	257501725	OFZRLVSQPBQNQB-VMQOHUEUSA-N	220.652	-0.292	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2c(c1)OCCO2	258986949	KOQPPYSTODTHFQ-QMMMGPOBSA-N	237.259	-0.162	50	10	BBGE	
CNC(=O)CSCc1ccc(C(=O)NN)o1	300845055	RMDOMIDYXNJVCA-UHFFFAOYSA-N	243.288	-0.138	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNC(N)=O	300929234	CVIHYKYNMKWQMA-WDSKDSINSA-N	201.226	-0.642	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1cccn1	306325691	SRWKMCOJEXXKNS-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CN)C1	310336155	BJCDAYIBUGTGOQ-HOSYDEDBSA-N	242.367	-0.082	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)S(=O)(=O)C1	378964794	SVVIQMCMOJYUEB-ZETCQYMHSA-N	249.336	-0.716	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(C[C@@H](O)CCl)C1	379574822	KZWHDLSLZYTBBK-HRDYMLBCSA-N	223.700	-0.332	50	10	BBGE	
CSCCOC(=O)C(C)=NNC(N)=O	383923342	NMQNWPUZBFOBHU-UHFFFAOYSA-N	219.266	-0.063	50	10	BBGE	
CCC(=O)NN=C/C(C#N)=C(/O)NC=O	383958055	COVYVDRKRDXTKR-HOCULSDQSA-N	210.193	-0.462	50	10	BBGE	
C[C@@H](CN1CCSC[C@@H]1CO)C(=O)NN	388212909	VBOQRSLRJQVPCJ-YUMQZZPRSA-N	233.337	-0.978	50	10	BBGE	
Cc1nnc(CN2CC(=O)OC(=O)C2)s1	392055138	DMIAXOOQBLIABD-UHFFFAOYSA-N	227.245	-0.268	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](N)C1	395590682	JZDOCDLAIFFWAQ-SFYZADRCSA-N	214.313	-0.576	50	10	BBGE	
COC(=O)CCc1cc(O)cc(B(O)O)c1	396059173	OVXUDEDAVLKRAY-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
O=Cc1c(B(O)O)ccc2sc(CO)cc12	396339202	QFKZAAUHBJPUCJ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC(C)(CN1CC(OC(F)F)C1)C(=O)NN	399926477	MVPXYQHDPMRQCN-UHFFFAOYSA-N	237.250	-0.074	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1	688960513	QTQLJVSUAZZCBS-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2COC[C@@H]2C1	690721499	GKSUMXCGVUUPSY-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)CCCN1CCN(C2CC2)C1=O	690766300	NAAPFRIBTSSMDI-UHFFFAOYSA-N	226.280	-0.344	50	10	BBGE	
Cn1cnnc1COc1ccc(B(O)O)cc1	690836287	LSVBFXFSVANCRZ-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
Cc1nn(CCc2cnn(C)c2)c(C)c1B(O)O	694228803	MQBWBBLONMDCJT-UHFFFAOYSA-N	248.095	-0.844	50	10	BBGE	
Cc1nn(Cc2cccc(C(=O)NN)n2)c(=O)o1	694825845	UOAUXMPKEZVZHD-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CC[C@@H](Cl)CNC(=O)c1nnn(C)n1	697205179	YYBAWHIWHCFKSS-RXMQYKEDSA-N	217.660	-0.043	50	10	BBGE	
CCO[C@H]1CCN([C@@H](CC)C(=O)NN)C1	701692201	DFIDMLASYSCOMS-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CN1CCC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703439958	SOVMWNKTIAOVNO-GUBZILKMSA-N	238.287	-0.003	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706199307	DGPPMZFPIYAJDU-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3C[C@H]2CO3)on1	718287075	QIWWRJGMGFFYPS-BQBZGAKWSA-N	238.247	-0.749	50	10	BBGE	
CN(C)NC(=O)N[C@H](CC(=O)O)C(F)F	725077767	RPFNMTSUVLWGNF-SCSAIBSYSA-N	225.195	-0.129	50	10	BBGE	
C[C@@H](CO)N(C)C1=C(C#N)[C@@H](N)[N]S1	725568846	QEKALIOJLIXLFA-FSPLSTOPSA-N	213.286	-0.415	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	770850347	BBUNYQLMGQBWKF-HTQZYQBOSA-N	230.264	-0.405	50	10	BBGE	
Cc1ccc(NNC(=O)N[C@H]2CCNC2=O)nc1	852410446	MFNNGKBFMLCXDV-QMMMGPOBSA-N	249.274	-0.095	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	911444628	GOZJJZCLOIDJDW-XHNCKOQMSA-N	243.307	-0.768	50	10	BBGE	
CN(CCCl)[C@H]1C[C@H]2NNC(=O)N2CN1	953026840	NZBNZFWHVDVADZ-BQBZGAKWSA-N	233.703	-0.710	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1nnc(C)c(O)n1	1331337649	JHWNXPQBORASCC-SECBINFHSA-N	239.235	-0.734	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@@H]2C#N)n1C	1470375088	GBYHEPWFPFRUMG-RNFRBKRXSA-N	220.236	-0.274	50	10	BBGE	
COCCN(C)NC(=O)CCN1CCOC1=O	1623885155	ZLLUALHJOQCXLX-UHFFFAOYSA-N	245.279	-0.562	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)C1=COCC1	1633305939	NFTRKXOGSWHSSQ-UHFFFAOYSA-N	234.215	-0.458	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NN	1880029519	CMVLUEDNOLUUJJ-ZETCQYMHSA-N	247.295	-0.358	50	10	BBGE	
N=C(CNC(=O)[C@H]1C[C@@H]1Br)NO	1881353762	MUKVIFBDJTUXBO-IMJSIDKUSA-N	236.069	-0.158	50	10	BBGE	
OC[C@H]1[C@H]2CN(C[C@H](O)CCl)C[C@@H]12	1882366191	NXKCBZOCDLZVDR-LURQLKTLSA-N	205.685	-0.244	50	10	BBGE	
C[C@H](SC[C@@H]1CCNC1)C(=O)NN	1883297455	GWQWYTOAKARTDC-NKWVEPMBSA-N	203.311	-0.293	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1883639597	NPQHBQNCPCVZDR-VAYJURFESA-N	206.629	-0.858	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H](C)S(C)(=O)=O	1884831596	RQUXAFUQEOIDHB-BQBZGAKWSA-N	237.708	-0.224	50	10	BBGE	
CO[C@H]1COC[C@@H]1n1nnnc1CCl	1884865323	HBEOXENKODQTMD-WDSKDSINSA-N	218.644	-0.002	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OC[C@@H](CO)[C@@H]2C1	1885045174	XSEOUEANRZFFPM-CSMHCCOUSA-N	219.668	-0.309	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)CC(=O)NN	1888107172	WHGYBGJQPPYJTJ-SFYZADRCSA-N	201.270	-0.809	50	10	BBGE	
Cn1[nH]c(=NC2CC(Br)C2)[nH]c1=N	1892898494	OIOGJQHUWBAWQW-UHFFFAOYSA-N	246.112	-0.013	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@@H]2Br)[nH]c1=N	1892898910	WLQFVBQDDCOPII-WHFBIAKZSA-N	246.112	-0.155	50	10	BBGE	
COC1(C(=O)NC[C@@H]2C[C@H]2Cl)CNC1	1893119446	OIDXVBMLHHSKME-NKWVEPMBSA-N	218.684	-0.282	50	10	BBGE	
CC1(C)OCCO[C@H]1C=NNC(N)=O	1893728750	ZGJZJXBNADLHNM-LURJTMIESA-N	201.226	-0.166	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1895094161	YTVPJVYWVIGTIR-IVZWLZJFSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H]1CO	1895137342	UHJPTUKOWGFZGQ-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CN(CCCO)C[C@@H]1CC[C@H](C(=O)NN)C1	1895941588	UMZUAQCAAPAYKX-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CS[C@H](C)C(=O)Nc1ncccc1B(O)O	1899745908	WIQLAKKIVNXPKC-ZCFIWIBFSA-N	240.093	-0.549	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@@H](C)CCCC(=O)NN	1901766628	YNEOYZQKHXSQOE-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
Cn1cncc1CN1CC[C@@](C)(B(O)O)C1	1902518134	PKZFJMIYGUPXJG-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
C[C@@H](F)CCN=c1cc(B(O)O)c(F)c[nH]1	1903011213	YHWXGTQBSBELFR-ZCFIWIBFSA-N	230.023	-0.518	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907271197	YSJSXGHKCQGSGA-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCCN1CC=CC[C@H]1CO	1909018901	QVBAJRLEGSNCTN-VIFPVBQESA-N	213.281	-0.621	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(COC)C1	1916281348	LLJZSIYQCQKSEK-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2COC[C@H]2N)CC1	1917044131	BGHYXWYFNXXWJP-VHSXEESVSA-N	221.260	-0.358	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@H]2C1	1927816328	LMHJTXCDNVOGAO-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NS(C)(=O)=O)C1	1928752064	ZDIOYSOPDLRSNX-NTSWFWBYSA-N	212.702	-0.543	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COC[C@H]2N)CC1	1928976185	IIGNQEBSDWKQSD-RKDXNWHRSA-N	211.265	-0.937	50	10	BBGE	
O=C(CBr)N1CC[C@H]1CO	1929726142	BKEWUGFBRXPJNO-YFKPBYRVSA-N	208.055	-0.026	50	10	BBGE	
O=S(=O)(NCB(O)O)C1[C@H]2CCCC[C@H]12	1931047682	QRXDCQOKNNWTMK-BQBZGAKWSA-N	233.098	-0.894	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C[C@@H]1F	1932061314	SGNCILOCNBSBDQ-RITPCOANSA-N	203.217	-0.817	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1F	1932373676	XOVJDIQTVUEDIV-RITPCOANSA-N	225.214	-0.099	50	10	BBGE	
Cc1cccc(=O)n1CC(F)(F)C(=O)NN	1935940152	AGFWNDQHMFRNSF-UHFFFAOYSA-N	231.202	-0.218	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093605	FZBKQRQLHYDFJY-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
CN(C)[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1Cl	1936885195	KYCBISMUQRVCIS-HTQZYQBOSA-N	244.730	-0.437	50	10	BBGE	
O=C(Cn1cncn1)N1CCO[C@@H](CCl)C1	1937140346	CPRJBRITPSANFL-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
CO[C@@H]1CN(CCCCC(=O)NN)C[C@H]1F	1937156057	WFJBWWQYPGFEHH-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	1939072726	GIWRUCWBGNQNDE-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC1(C)CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1941085160	BYZKXCOUEJGNEM-RQJHMYQMSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)C[C@@H]2CO	1944030626	XBKCTHBOXLNCNR-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(CN1C[C@@H]2OCCO[C@@H]2C1)C(=O)NN	1944745579	YODGUZSHNLSAAH-DTORHVGOSA-N	243.307	-0.898	50	10	BBGE	
CN1CCC[C@H](N(C)CC2(C(=O)NN)CC2)C1	1945882257	DYBMEJSFKJGGAE-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1946082866	CYRDQFOWWNPKEZ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC2)C[C@@H]1CO	1949696575	FQAJMCXPERNGCA-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
FC1(CCl)CN(CCn2cnnn2)C1	1956993375	HHGFPFGYPBXDQK-UHFFFAOYSA-N	219.651	-0.064	50	10	BBGE	
Cc1nc(OCC(F)F)ncc1B(O)O	1961688346	TTWDTLJOHXBRRU-UHFFFAOYSA-N	217.968	-0.891	50	10	BBGE	
CCN(OC)c1ccc(B(O)O)c(C)n1	1961718982	WKHRUAFGVOJEQA-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
CCO[C@@H]1CC[C@H](C(=O)NNC(N)=O)C1	1962375468	DSZXIPOOTPLJND-NKWVEPMBSA-N	215.253	-0.109	50	10	BBGE	
CC(C)[C@H](OC[C@@H](C)N(C)C)C(=O)NN	1974648952	UOQPQZQITHAULA-BDAKNGLRSA-N	217.313	-0.032	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCc1nnnn1C	1974681988	UVULKGVESBEVKW-ZCFIWIBFSA-N	231.687	-0.114	50	10	BBGE	
NNC(=O)CCN1CCc2nnccc2C1	1977057449	HZFSAXMXBMALLV-UHFFFAOYSA-N	221.264	-0.785	50	10	BBGE	
CCCN1CCCN(CCC(=O)NN)CC1	1980744101	RPAJLVAKYPFNNM-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C2CC2)nc1	1981409622	PJLSQUKXJYLYPA-SECBINFHSA-N	219.053	-0.855	50	10	BBGE	
CN(CC(C)(C)F)c1ncccc1B(O)O	1981423244	AXURFTYXFUOQPX-UHFFFAOYSA-N	226.060	-0.054	50	10	BBGE	
CC[C@H](COCC(F)(F)C(=O)NN)N(C)C	1983908730	XNFAUGRKKKQVMY-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529782	ICAPZLWFHLMLMO-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CON(CC(=O)NNC(C)=O)C1CCCC1	1990775231	SUFHZZKVERDHTP-UHFFFAOYSA-N	229.280	-0.040	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C(=O)C=CC(=O)Cl)C1	1991649337	AGRUDHLXJXWBSI-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
CO[C@@H]1CNCC[C@H]1NC(=O)C=CC(=O)Cl	1991654462	LBZVTUDJMQMZQX-HTQZYQBOSA-N	246.694	-0.199	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]1(C)CCO	1994707190	MUQAVOPCRIEWBW-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
COC1CC2(C1)CN(CC1(C(=O)NN)CC1)C2	1998926878	GHFYBPFMGZDLOR-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1[C@@H](C)CC(=O)NN	2003813534	OTAGQZRYYPCYLY-WPRPVWTQSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC23COC3)o1	2004486839	PKWDQBMFAKKWHI-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
Cc1ncnc(OCc2ccco2)c1B(O)O	2004935863	QYLAIPNBNQJUSV-UHFFFAOYSA-N	234.020	-0.363	50	10	BBGE	
Cc1ncnc(N2CCC(F)CC2)c1B(O)O	2004975425	YTWCUICVYLVXPO-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
COCCNC(=O)Nc1ccc(B(O)O)cc1	2005208243	UXDHBIBZAWZXEG-UHFFFAOYSA-N	238.052	-0.866	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1C[C@@H]1F	2006988781	OJAOUPCZAGMVDM-UWVGGRQHSA-N	237.039	-0.659	50	10	BBGE	
C[C@H](CN1C(=O)[C@H](C)C[C@@H](C)C1=O)C(=O)NN	2007785302	MUMHRYKKYDEQEX-BWZBUEFSSA-N	241.291	-0.357	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@H]3C[C@H]2CO3)C1	2010834226	ABZGSAWJRXICKB-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
CO[C@@H](C)COCc1c(C(=O)NN)cnn1C	2011814670	IZGVODHMTDPKNJ-ZETCQYMHSA-N	242.279	-0.425	50	10	BBGE	
CC(C)[C@]1(C)CCN1c1ncc(B(O)O)cn1	2016675678	OGHQJVKUCBIQBU-NSHDSACASA-N	235.096	-0.219	50	10	BBGE	
O=C(NCC=CB(O)O)c1coc(C(F)F)n1	2020068637	UDXSCWYUYNDGMW-UHFFFAOYSA-N	245.978	-0.090	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccccc1B(O)O	2022200520	VDBYDCHGYBJYEN-QMMMGPOBSA-N	235.048	-0.398	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1ncncc1B(O)O	2025750177	ASCISHQCWRWGAR-XCBNKYQSSA-N	239.059	-0.659	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H](O)C2)nc1	2046611812	PAPADOZVRXWUEA-LLVKDONJSA-N	248.286	-0.582	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@]3(CCO3)C2)n1	2052557584	QGNCWGUDYMZBDI-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1ccnc(OCCn2cccn2)c1B(O)O	2064610564	TYTCBECWWZIMID-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2068330389	CSYLLZICZXASDI-WGNDUZGJSA-N	248.066	-0.255	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1cccc(B(O)O)c1	2079012639	XIELBZIIMMDOIX-RYUDHWBXSA-N	245.087	-0.105	50	10	BBGE	
COC[C@@H](CCl)N=c1[nH]ncn1C	2209272426	YEQHNMQTXKSHOZ-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
C#CC[C@H](CC)Nc1cc(B(O)O)ccn1	2212601587	PZCMFSQULABXKG-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
C[C@H]1CC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2212613321	UKZXRBSSBNBBFT-JGVFFNPUSA-N	221.069	-0.964	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2CC(F)(F)C(=O)NN	2213353854	IMOVKMOAKKRITK-ZKWXMUAHSA-N	249.261	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(O)(C2CC2)C1	2215773287	ASQDPWZRXHHXTG-PSASIEDQSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	2215777120	QRZOBVCIDNBYFA-QCLAVDOMSA-N	235.287	-0.211	50	10	BBGE	
CC1(C)CN[C@@H]1COc1ccc(B(O)O)cn1	2217185426	XFIIWZAVNKMXBF-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(OCC[C@@H]2CCNC2)c1	2217195104	FOIRZCPOLANQOU-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
CN(C)C1(CNc2cc(B(O)O)ccn2)CC1	2217198449	BDXBKPPGJNWUCQ-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
CN(C[C@H]1C=CCC1)c1ncc(B(O)O)cn1	2217199909	GYVNCZOORXKVOD-VIFPVBQESA-N	233.080	-0.441	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2CC[C@@H]2C)c1B(O)O	2220611634	GBOUKLVRKZALLZ-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(C)c(CNc2ncc(B(O)O)cn2)[nH]1	2223639959	UIXXBROGKXQUDD-UHFFFAOYSA-N	247.067	-0.892	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)C[C@@H]1CN	2223678986	KIEMDDXCPINBOF-VIFPVBQESA-N	249.123	-0.818	50	10	BBGE	
O=C(NCCF)c1csc(B(O)O)c1	2241468850	VUGAWXAOKKPVJX-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
COC[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2241480538	MLJAJHRXHNAOBV-ACZMJKKPSA-N	201.031	-1.000	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)s1	2243349354	JYHRKJLWLLJBES-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
Cc1cc(O)ccc1NC(=O)C#CB(O)O	2243357307	USKXLXZCVJPWIE-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
CC(C)[C@H](N)CNC(=O)C1(B(O)O)CCC1	2243363942	OULCMVZLSPRXFV-MRVPVSSYSA-N	228.101	-0.517	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CC2(F)F)C1(B(O)O)CC1	2243366194	YMOWXCKPDDRWLM-VDTYLAMSSA-N	231.007	-0.093	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@@H](F)C1	2243376438	KAVYYELWQSHZLH-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397204	XDTHRCWMESRXBT-YUMQZZPRSA-N	223.041	-0.803	50	10	BBGE	
CCc1ccc(CNC(=O)C#CB(O)O)s1	2243401649	VEAYTXWDASUYQS-UHFFFAOYSA-N	237.089	-0.058	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@H]1C2	2244496296	AZOKQGDYTCNCLP-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
N[C@H]1C[C@@H](Oc2cc(B(O)O)c(Cl)cn2)C1	2245912644	DPRZXFHINNBVEJ-OLQVQODUSA-N	242.471	-0.717	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1ccoc1B(O)O	2247747741	RTLLXAONESWKBS-RQJHMYQMSA-N	241.027	-0.468	50	10	BBGE	
O=C(NC[C@@]12CNC[C@H]1C2)C1(B(O)O)CCC1	2247750706	NBZTXBXHGVBWFY-PSASIEDQSA-N	238.096	-0.891	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1occc1B(O)O	2247751377	WXDFGTSCKXFABW-LDYMZIIASA-N	237.064	-0.122	50	10	BBGE	
O=C(NC1CCC1)c1cccc(B(O)O)c1F	2247751947	FVKKSDFJKOKUOG-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(CCO)C1CCC1	2247787048	KIKBZEJBPCYXQR-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790056	FIORRPJHHAVOAA-AATLWQCWSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791000	KMPCCLXRTIFHRK-IMSYWVGJSA-N	240.112	-0.422	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCC1	2247798406	TVVHYYYQFZPBJO-DTWKUNHWSA-N	240.112	-0.515	50	10	BBGE	
N[C@@H]1CC[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247798469	UMMRFWYTWDAZOG-AUXWQGHOSA-N	240.112	-0.517	50	10	BBGE	
Cc1ncnc(C)c1NC(=O)[C@@H]1C[C@H]1B(O)O	2247800052	KXIFSPWBNUFJMB-HTQZYQBOSA-N	235.052	-0.105	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247801162	XRFXOEOTUUUKBB-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCN[C@H]2CC[C@H]21	2247804070	FAZIIRFDOHUQGZ-AATLWQCWSA-N	238.096	-0.798	50	10	BBGE	
CN1CCCC12CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247806159	MIMSQSOMWLCGCA-RKDXNWHRSA-N	238.096	-0.844	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2247809865	RTHWQQORZAKWPR-VAPHQMJDSA-N	238.096	-0.894	50	10	BBGE	
CCC[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247852427	UKYSDPDWRSMXEN-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC2CC2)n1	2247852821	ABOZANDBGLMMQD-UHFFFAOYSA-N	234.064	-0.790	50	10	BBGE	
CN(Cc1ccnn1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247854531	DTINXZTZDDNTOA-RKDXNWHRSA-N	237.068	-0.759	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1cc(B(O)O)n[nH]1	2247854861	JJMZKKCNVQXAKM-SNVBAGLBSA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N(C)C1CC1	2247860146	SGKIRDOZKQHJBD-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
C=C[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247869115	MBYBLMDBRGPCHL-SECBINFHSA-N	235.048	-0.346	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1coc(B(O)O)c1	2247873373	JCBPLXXLIGBFGW-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1CO	2247895771	BNRSOULFVPPWJN-CIUDSAMLSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(C)[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896709	JJXYCYNGBZNGAA-HRDYMLBCSA-N	243.112	-0.237	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]12	2247898359	CTQXPHCIINTQHT-JFFSLAIJSA-N	238.096	-0.909	50	10	BBGE	
NC1(CCCNC(=O)C2CC(B(O)O)C2)CC1	2247909749	LGYKMNODYPMJEX-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1cccc(B(O)O)n1	2248416253	PJHJAZYGVMFXJU-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NC(=O)CCO	2248432833	AYZIDYYNRYEMMI-UHFFFAOYSA-N	237.064	-0.696	50	10	BBGE	
O=C(O)C1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2248590437	DGLGGSIOJQUKEM-IOIOVRMZSA-N	241.052	-0.781	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C=CCOC2)c1F	2249210892	JIFVUSLPCDBJLH-SSDOTTSWSA-N	239.011	-0.766	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1cocc1B(O)O	2249417575	HYXOOTAQGMXDFL-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C1CCCC1	2255523516	SLCPZPOQAIYXTB-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2255723205	ZHZOAQUMLCLCLP-BZNPZCIMSA-N	249.075	-0.266	50	10	BBGE	
C[C@@H](O)CC(=O)N1CCc2cccc(B(O)O)c21	2256671679	WKWOGFHVTKJBPI-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
CCn1cc(C(=O)NCCC#CB(O)O)c(C)n1	2258959466	RPDIMWOBILAVGH-UHFFFAOYSA-N	249.079	-0.653	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2297960775	ADDGJNJHJHGSPS-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CNC[C@@H]1C2)C1(B(O)O)CC1	2298368172	RHPAWGPQCDIPGB-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298375131	QVVMBVJNTWHYHQ-JGVFFNPUSA-N	249.100	-0.172	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2298536126	KMHQOWJRIIPGFC-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
O=C(O)C[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2299257319	ISYUDZKORIIVDV-YWIQKCBGSA-N	241.052	-0.924	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2[C@@H](C)C[C@@H]2C)n1	2301181013	XABYVBRJSDTIOG-BQBZGAKWSA-N	236.080	-0.112	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2301837865	UACGUJMWTQBRTJ-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(N2CCC2)C1	2302053839	XTNQZQHFYXJTMO-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
N[C@H]1CC[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303834274	CMHOEDJLWOHJPU-BQBZGAKWSA-N	239.059	-0.808	50	10	BBGE	
Cc1nc(CCN2CCC(B(O)O)CC2)n[nH]1	2306978915	LKTWVAPZDKFNMY-UHFFFAOYSA-N	238.100	-0.406	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2CC[C@@H]3C[C@H]23)n1	2310903510	IHROKLZUUVRJQV-BBBLOLIVSA-N	248.091	-0.110	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2312516110	LRTNMXFMGCSBSL-OVHRRVLLSA-N	249.314	-0.131	50	10	BBGE	
N[C@H]1C[C@@H](COc2ccc(C=O)c(B(O)O)c2)C1	2317312065	AJMWIKWDWWZBPA-WAAGHKOSSA-N	249.075	-0.705	50	10	BBGE	
O=Cc1ccc(NCc2ccon2)cc1B(O)O	2317351358	HAGIHQCPGQWKLT-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
CC1(C)[C@H]2CCC(=O)N(C(=O)C#CB(O)O)[C@@H]1C2	2321058745	WIXAVXXOEKQEJB-DTWKUNHWSA-N	249.075	-0.435	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)CC(=O)NNC(C)=O	37599137	CARGDFZEDWTTSB-ZETCQYMHSA-N	245.279	-0.661	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(O)CC1	82465930	VVKPYNRYOALKOF-VIFPVBQESA-N	215.297	-0.542	50	10	BBGE	
COC1CCN(C[C@H](C)C(=O)NN)CC1	82467401	HOSHTIRTMNUHMI-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCN(CC)[C@@H]1CCN(CC(=O)NN)C1	82469295	UISGXFPRWVKSSO-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
O=c1[nH]c(=O)n(CCCl)cc1[N+](=O)[O-]	82614712	ZINSXJXRTJEWNM-UHFFFAOYSA-N	219.584	-0.316	50	10	BBGE	
C[S@](=O)CCCNC(=O)NC(=O)CCl	135305516	LICVPJVPZIXXRN-CQSZACIVSA-N	240.712	-0.180	50	10	BBGE	
CCOCCN(CCOCC)CCC(=O)NN	162117175	LXWGKXBSZLYTRN-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
NC(=O)CC1(NC(=O)NCCCl)COC1	170284829	BBXVFTXDWFARJA-UHFFFAOYSA-N	235.671	-0.831	50	10	BBGE	
CN1CC[C@H](NC(=O)CCCl)C1=O	230227482	IBGGVTAEYLPGAT-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCO)C1CCCC1	232419810	HHRPVTYZYDVURE-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
COC[C@H](S[C@H]1CCO[C@@H]1C)C(=O)NN	234715075	YLAUMXWROMRHNZ-CSMHCCOUSA-N	234.321	-0.098	50	10	BBGE	
CN(CC(=O)O)NC(=O)CCCCN	238318482	SEFLLBZMQATESD-UHFFFAOYSA-N	203.242	-0.837	50	10	BBGE	
NCc1ccc(B(O)O)c(C(F)(F)F)n1	238676258	QBDXQCTZNAAKQF-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
CC1(C)O[C@@H]2CO[C@H](CN(N=O)C(N)=O)[C@H]2O1	256005862	VAOQQYFQXZJKNI-FSDSQADBSA-N	245.235	-0.033	50	10	BBGE	
COC[C@H]1CCCN([C@@H](COC)C(=O)NN)C1	300144189	XLGSIVQTFFZHRA-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNC(N)=S	300931316	CYTBDCGEMXJEQQ-PHDIDXHHSA-N	217.294	-0.477	50	10	BBGE	
Nc1cc(B(O)O)c2sc(O)cc2c1	307019052	UONBVOZEYNEQEB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1CONC1=O	307170089	ZVEDODSSAVPKGF-IMJSIDKUSA-N	237.053	-0.684	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](O)[C@H]1C	307331514	PEJXNJBDRQSHST-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCCl)o2)C[C@H]1O	316517804	OCIBDWMIIWDVCG-NKWVEPMBSA-N	247.682	-0.360	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[S@@](=O)CC1	321896805	PMJUAARQUYULGI-JDNHERCYSA-N	247.364	-0.401	50	10	BBGE	
CN1CC(N=c2[nH]c(CCCl)nc(=N)[nH]2)C1	382276738	NUHIJBSODNPSND-UHFFFAOYSA-N	242.714	-0.787	50	10	BBGE	
CC(C)C[C@@H]1C[C@@H]1CNC(=O)C(=O)NN	388029572	HBGSOYZXQCYRLQ-HTQZYQBOSA-N	213.281	-0.225	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@@H]1O	388086997	CJWDVZUWBLFVMW-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC(=O)N1CCOCC1	389943379	ITIAOTHCCKSSQS-QMMMGPOBSA-N	248.710	-0.164	50	10	BBGE	
N#CCCc1c(CC#N)cccc1B(O)O	396141064	YSUSIIHLKYJKHX-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CC[C@H](O)C[C@H]2C1	398892259	ZVAGEDVAUUOAHX-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	401528162	GTZAGCVEWPEJAO-QCLAVDOMSA-N	229.324	-0.296	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(F)cc1B(O)O	404954201	WXVSGXJFGNQBNM-MRXNPFEDSA-N	245.084	-0.009	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1cc[nH]n1	404989002	RTDIKGWJLAPXBC-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C[C@@H](Cl)C#N	690292855	HETURLRZZZJBKQ-DTWKUNHWSA-N	219.716	-0.028	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N(CC)CC)C1	697806038	PDTYKBPGXIQKFW-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
CCO[C@@H](CO[C@H](COC)C(=O)NN)C1CC1	703564711	YTCYPFGBIDQYET-VHSXEESVSA-N	246.307	-0.177	50	10	BBGE	
O=C(N[C@H]1COCC[C@H]1Cl)c1cnn[nH]1	710854545	QWKBTHKKUAIVOO-VDTYLAMSSA-N	230.655	-0.069	50	10	BBGE	
CCOCC(=O)N1Cc2cccc(B(O)O)c2C1	713250648	YTGRKXQRBVSHGE-UHFFFAOYSA-N	249.075	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2COC[C@H]2C1	718252403	OMODHXWUJDKHHD-AXTSPUMRSA-N	227.308	-0.421	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@]1(C)CO	723001391	XJXKRUQEXORTDH-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
O=C(O)C(=O)CSC[C@H](O)CCl	725376797	CYSQHFWVZFKZDG-SCSAIBSYSA-N	212.654	-0.027	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	768244831	OTOGJYMTMJLHBC-RNJXMRFFSA-N	242.275	-0.670	50	10	BBGE	
O=C(/C=C\C1CC1)NNC(=O)[C@@H]1CCC(=O)N1	862456709	RQAOGSCUFCAFTA-NHLYECAPSA-N	237.259	-0.621	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C=O)cn1C	1136379295	XACMTHFJFDQBJQ-UHFFFAOYSA-N	224.220	-0.589	50	10	BBGE	
COC(=O)N(C)NC(=O)C1(CO)CCOCC1	1297675989	CQMRGPMIJZRXCS-UHFFFAOYSA-N	246.263	-0.495	50	10	BBGE	
CN(NC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1	1299685443	RNSAFTIZWXBBQQ-SSDOTTSWSA-N	240.263	-0.900	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1cc[nH]n1	1300694347	OYZFEJMDMIYAAU-VIFPVBQESA-N	226.236	-0.668	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)Cc1cc[nH]n1	1330821543	FHLFITFHZDPHSU-ZETCQYMHSA-N	235.247	-0.351	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2csnn2)C1	1331825356	AOLKAVUJHCVHRV-ZCFIWIBFSA-N	213.071	-0.413	50	10	BBGE	
O=C(OCOc1ccc(B(O)O)cc1)C1CC1	1354159529	PABYBWSCBNNPQU-UHFFFAOYSA-N	236.032	-0.344	50	10	BBGE	
COC1(C(=O)NNc2nc[nH]n2)CCOCC1	1457834472	BSTIAPSPMBRUQG-UHFFFAOYSA-N	241.251	-0.557	50	10	BBGE	
CCCOCC(=O)NNC(=O)c1ncon1	1538716575	KZBKBKPCLLUQQE-UHFFFAOYSA-N	228.208	-0.743	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1cnc[nH]1	1543223120	CTCNGXKCQNVXRL-UHFFFAOYSA-N	248.246	-0.935	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cc(C(N)=O)c[nH]1	1627565100	BUNUOGGLSRUFQY-LURJTMIESA-N	240.263	-0.929	50	10	BBGE	
N#C/C=C/Cn1nc(C(N)=O)ccc1=O	1656256050	PGIGJUBHIUCRBR-OWOJBTEDSA-N	204.189	-0.578	50	10	BBGE	
O=C(NOCCO)[C@@H]1C[C@@H]1Br	1877336458	MLTRGISXBMYMIE-UHNVWZDZSA-N	224.054	-0.190	50	10	BBGE	
C[C@H](Br)C(=O)NCC(CO)CO	1880806625	WRNSKFTVKZVPLE-YFKPBYRVSA-N	240.097	-0.513	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@H](O)CCl	1887642037	NMGAEYNRHDVPLR-MRVPVSSYSA-N	222.716	-0.004	50	10	BBGE	
CC(C)(O)CN1CC[C@](C)(B(O)O)C1	1891586408	SMSFIYSURHQMPN-VIFPVBQESA-N	201.075	-0.304	50	10	BBGE	
O=C(N[C@@H]1CONC1=O)C1CC(Cl)C1	1893491512	WIMVCXIKHODNSK-JMMWHDCWSA-N	218.640	-0.450	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cnsc1B(O)O	1900467426	RXPYKMVSNQFXAL-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
C[C@@]1(O)CN(S(=O)(=O)CCl)CC[C@H]1O	1901104589	HMIMIKJJTYLRJU-RNFRBKRXSA-N	243.712	-0.670	50	10	BBGE	
CN(NC(=O)c1cccc(O)c1)S(C)(=O)=O	1901359587	MGIAMRPXQZWJFS-UHFFFAOYSA-N	244.272	-0.072	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	1902088426	UDLRBEALFPFERK-VHSXEESVSA-N	231.340	-0.050	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCOCCC#N)C1	1902515156	CLFPFPGIFXAIGF-SNVBAGLBSA-N	226.085	-0.145	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCCC(N)=O)C1	1902517747	LGOINEOQWHHVAW-JTQLQIEISA-N	228.101	-0.419	50	10	BBGE	
NNC(=O)CN1c2ccccc2CS1(=O)=O	1917162038	KOYOETRORUXJIU-UHFFFAOYSA-N	241.272	-0.674	50	10	BBGE	
CN(CCF)C[C@@H]1CC[C@H](C(=O)NN)O1	1917254737	DFOBVXJYJJRKIB-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
CC[C@@]1(F)CCN([C@@H](COC)C(=O)NN)C1	1925549935	ALXWFOUAHBABQS-WCBMZHEXSA-N	233.287	-0.185	50	10	BBGE	
N#C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1927913422	JBCWPDCZXYNGNE-DJLDLDEBSA-N	208.265	-0.542	50	10	BBGE	
CCN(CCOC)C[C@H]1C[C@H]1C(=O)NN	1927913598	KZGMZMPMBAKRDV-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCCC[C@H]2C1=O	1928024659	PWDKSPTWPGZZTN-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1CCOCCN1C[C@@H](C)C(=O)NN	1929659873	SDADENCOGQMQQL-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]1CO	1929740914	NRRXEHTUQBBMDX-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@]1(C)CO	1932967281	LPKAKJCBCLQXNY-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
O=C(CCl)N1CCOC[C@@H](CO)C1	1933630202	KATFJINPCCEAOR-SSDOTTSWSA-N	207.657	-0.308	50	10	BBGE	
CC(C)N(C[C@H](C)O)CC(F)(F)C(=O)NN	1935928240	IDSMMUPZFJLSEO-ZETCQYMHSA-N	239.266	-0.297	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H]1C[C@@H]1C	1936527375	AJXHOVXGLOQHIM-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CO[C@@H]1CCC[C@@H]2CN(CC(=O)NN)C[C@H]21	1938088762	VAHVRQJUCMGLLX-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C[C@@H]1C[C@@H]1C(=O)NN	1941085269	CDRCKSVGJYOZLJ-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	1942892678	ISVCEHNDEXKFKU-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CN1C[C@@H]2OCCO[C@H]2C1)C(=O)NN	1944745580	YODGUZSHNLSAAH-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H](CO)C2)CC1	1945894676	VOLRBGVBPLSISM-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnnn1CC	1950437758	CMWBDAGKVMMHQI-VIFPVBQESA-N	240.311	-0.502	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@H](B(O)O)C2)co1	1951320822	RGIHGIXZNGQXFV-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
CS(=O)(=O)c1ncc([C@H](O)C#N)c(O)n1	1951635222	JZPITKITTYGZTH-RXMQYKEDSA-N	229.217	-0.857	50	10	BBGE	
CCN(C(=O)CCl)[C@@H]1CCNC1=O	1954036590	GOJHRVRUQFYECY-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CCN(CCCCO)CCC(=O)NN	1955351776	SBRPEOYKGUEXAL-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955547284	NEUSUARMBVJHRE-QVWMKHDWSA-N	216.668	-0.457	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)NNC(N)=S)C1	1956493375	IQNFTKNCEMYTHO-OLQVQODUSA-N	217.294	-0.334	50	10	BBGE	
OB(O)c1cccnc1Sc1nncs1	1961724938	VUWXKZMFHNJPDM-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
CN1CCC[C@@H]1[C@H]1CCCN1CC(=O)NN	1981072296	FXKDZHOIKAHMCN-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
CC(C)(CN1C[C@H]2CCO[C@H]2C1)C(=O)NN	1981241894	IDNLHGQLSAVOPT-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccc(OC2CC(F)(F)C2)nc1	1981429337	CISKVXHYJOBSDA-UHFFFAOYSA-N	228.991	-0.062	50	10	BBGE	
NNC(=O)CCCCn1ccc(O)cc1=O	1982432161	BDFHWAVEXBFJHX-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
COC[C@H]1CN(C(=O)C(=O)NN)CC1(C)C	1982497079	LMFHYOMCDUCIQM-SSDOTTSWSA-N	229.280	-0.893	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(CCC(=O)NN)CCN2C1	1985229575	UYFLVDXYYZBQJB-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)CN1CC[C@@H](c2ccncc2)C1	1990089008	QXBBIINCVBTVGY-SNVBAGLBSA-N	220.276	-0.139	50	10	BBGE	
CN1CCNC[C@H]1CNC(=O)C=CC(=O)Cl	1991652575	ORBVVAWCJAUQHL-QMMMGPOBSA-N	245.710	-0.672	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1NC(=O)C=CC(=O)Cl	1991661543	BXBOVCYPIWELRL-SFYZADRCSA-N	246.694	-0.247	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](OCCO)C1	2001030663	DSGGZUIDHZTXOZ-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
COC[C@]12CN(C[C@@H](C)C(=O)NN)C[C@]1(C)C2	2001040138	MSMYJUBKEJHXEL-USWWRNFRSA-N	241.335	-0.029	50	10	BBGE	
OB(O)c1cnc(N2CCCC3(CC3)C2)nc1	2004918760	PORWEAAFDVFLPJ-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CCCO2)n1	2004931491	LBASKHKXTVBKBS-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)CCO1	2004935522	OQAIYCCBJFOLMD-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ccnc(Sc2ncc(B(O)O)cn2)n1	2005005980	YKMHCSKVKFVFSG-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
Cc1nc(N2CC3(CCO3)C2)ccc1B(O)O	2005015638	CZJYMJGRFZQPGW-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CCOC12CC(C1)N([C@H](COC)C(=O)NN)C2	2013067123	DUVNSYJCTGTOJV-INWMGODYSA-N	243.307	-0.755	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(O)(CC(C)C)C1	2014745465	WNYLUNLOCOCLEE-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CO[C@H](C)C1	2019219161	JTVIVSDOSQRVDG-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)CCOCC(=O)NN)O1	2019516617	PHFPOXWBMVFJGH-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC1(F)CN(C(=O)c2ccccc2B(O)O)C1	2022200559	VNBNESVAIBQSQE-UHFFFAOYSA-N	237.039	-0.450	50	10	BBGE	
CO[C@H]1C[C@H]1COCc1ccccc1B(O)O	2022711421	GBQBZTNJECCAET-JQWIXIFHSA-N	236.076	-0.082	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C[C@@]1(C)OC	2023279177	POOGNXNCSDRFLN-IQJOONFLSA-N	245.323	-0.509	50	10	BBGE	
Cc1ccnn1C[C@]12C[C@](C(=O)NN)(CO1)C2	2023847161	SCCZDYTZGJZIRM-XYPYZODXSA-N	236.275	-0.269	50	10	BBGE	
C[C@H]1C(C(=O)NCc2ccccc2B(O)O)[C@@H]1C	2043289822	MNAMOXZZYZGHHI-RKDXNWHRSA-N	247.103	-0.115	50	10	BBGE	
C[C@@H]1C(C(=O)NCc2cccc(B(O)O)c2)[C@H]1C	2043290421	RXLKJTCIJAIEIK-IUCAKERBSA-N	247.103	-0.115	50	10	BBGE	
Cc1cc(N2CCCN(C)CC2)ncc1B(O)O	2052472682	NGTHQFIETJRRAN-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
Cc1ccnc(N(C)CC2CN(C)C2)c1B(O)O	2052473131	UYRNJJULQQOTBB-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2Cc1ccc(B(O)O)cc1	2067399287	JKQIGMFPZLVLQO-QWHCGFSZSA-N	246.119	-0.745	50	10	BBGE	
COc1cccc(CC(=O)NCC#CB(O)O)c1	2077481956	CTVGBFRVUSGLKY-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2210212864	FNOXKXFEIZYVQF-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1csnc1CN1CC(CCF)C1	2211135484	IWRNEPLJBNZFPI-UHFFFAOYSA-N	244.100	-0.386	50	10	BBGE	
C[C@H]1C[C@@H]1CCn1cccc(B(O)O)c1=O	2211590368	DICJDGUOSPFXKC-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C(=O)O1	2211838547	IMALGPHHBXXIBG-PRJMDXOYSA-N	227.264	-0.157	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(CCCO)C1	2212354063	YJHJKLXIXWZKOH-SNVBAGLBSA-N	229.324	-0.295	50	10	BBGE	
Cc1cnc(N2CC[C@]2(C)CO)cc1B(O)O	2217182652	GACWSITZMGWKPT-LLVKDONJSA-N	236.080	-0.969	50	10	BBGE	
CCC1(N)CC(Nc2cc(B(O)O)ccn2)C1	2217199293	LGLKYAMCJWBGRE-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3NCC[C@H]32)nc1	2223634506	LKMCSMLPRQUPSB-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
N[C@@H]1CN(c2ncccc2B(O)O)C2(CCC2)C1	2223641704	CPWHLHKVHQALHU-VIFPVBQESA-N	247.107	-0.779	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H]2CCNC2)cc1B(O)O	2223642373	IERUDMGDOJBTDW-NXEZZACHSA-N	249.123	-0.520	50	10	BBGE	
CCN(C)[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2223667057	MPUNBIOZRFGWTE-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
N[C@H]1CCCCCN(c2cc(B(O)O)ccn2)C1	2223679464	PZSYUQMAFNUTCH-NSHDSACASA-N	249.123	-0.531	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CCC1(F)F	2243356695	LSBJNKSLXOMYKA-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
CCn1cnc(NC(=O)C2(B(O)O)CC2)c1	2243363180	BZANKIBGTZUBCZ-UHFFFAOYSA-N	223.041	-0.152	50	10	BBGE	
CCN(C(=O)c1sncc1B(O)O)C1CC1	2243385381	HQSXUDZTLOJORZ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(CO)cc1	2243400387	ADLYEANYIVHAOG-UHFFFAOYSA-N	219.005	-0.867	50	10	BBGE	
CN(C[C@H](F)C1CCC1)C(=O)C#CB(O)O	2243401346	PRBWHGGKDAWCDS-VIFPVBQESA-N	227.044	-0.402	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2243404609	QWJXSFHKNQNBNW-CJXRSZHYSA-N	227.069	-0.467	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@@H]1B(O)O	2243415548	XKVTWVZOBAQIAE-RYPBNFRJSA-N	227.069	-0.874	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C=CCOC2)nc1	2244126949	JIOAINPSVBOGCP-SECBINFHSA-N	221.021	-0.905	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C[C@H]21	2244204981	CYAIZMKZRFGXCC-IMTBSYHQSA-N	221.021	-0.806	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)co1	2244222825	XCWPDJUFEDZGKH-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
Cc1ncc(B(O)O)c(SCC2COC2)n1	2244515422	FEFYNQRILPLVRM-UHFFFAOYSA-N	240.093	-0.797	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1coc(B(O)O)c1	2245942079	UQZSVQRYZIKSDP-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC=C[C@]1(C)CO	2246357152	YQRTXYLYOTUUJS-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
CC1(C)COCC[C@@]1(C)NC(=O)C#CB(O)O	2247743571	GABUTZHTBQKMMF-LLVKDONJSA-N	239.080	-0.677	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)c(C)c1	2247751917	FHGDGNQOXCGZSL-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
C[C@@H](CF)NC(=O)c1ccc(B(O)O)cc1F	2247754802	AUXVHRRPMUFYLO-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(B(O)O)CC1	2247755816	KAMQKGMIUAJMLD-AYMMMOKOSA-N	238.096	-0.526	50	10	BBGE	
COC[C@H]1C=CCCN1C(=O)C1(B(O)O)CC1	2247756419	LYRCPNXBYQXEST-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@H]32)oc1B(O)O	2247789436	WDXRITFRXZPMQG-HTQZYQBOSA-N	235.048	-0.498	50	10	BBGE	
CCc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247790202	FZYMBXZYQTXWRL-JGVFFNPUSA-N	237.068	-0.549	50	10	BBGE	
N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792687	UMMRFWYTWDAZOG-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
CN(CC[C@H]1CCOC1)C(=O)C1(B(O)O)CC1	2247871801	HVMWUGIFYVXXHI-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)cc(B(O)O)c2)C1	2247874147	JOMLAGHHFVXSCT-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(N1CC[C@@H]2[C@H](O)C[C@H]21)C1(B(O)O)CCC1	2247874865	QHBXVHGBZJOSTP-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
CC(C)c1cc(=NC(=O)[C@@H]2C[C@H]2B(O)O)[nH][nH]1	2247895413	SCCYIYQNICDSKN-RNFRBKRXSA-N	237.068	-0.244	50	10	BBGE	
CC(C)(O)C1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896212	FDMNPISOMRRGFD-XWEPSHTISA-N	241.096	-0.531	50	10	BBGE	
C[C@]1(CO)CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247896692	JDMMGOVXOJNWOX-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
CC1(C)NCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903549	KWHAZHVFYLCGJF-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC1(C(=O)O)CCCC1)[C@H]1C[C@H]1B(O)O	2248584744	AVQJIUSCECHLOV-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
C#CC12CC(CCN1CC(=O)NNC(C)=O)C2	2250908163	QQDHINUQHOEVER-UHFFFAOYSA-N	235.287	-0.359	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@@H]3C[C@@H]32)n1	2254694695	BWTXNMPSXAXPBR-SCZZXKLOSA-N	248.091	-0.241	50	10	BBGE	
Cc1cnc(NC(=O)c2coc(B(O)O)c2)cn1	2255453010	DHBAMDQLEIZJQO-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NN2CCCC2)c1	2255511427	JSFWKZLXKFTIAE-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2255516168	INUQZSCHSYRFGZ-SCZZXKLOSA-N	248.091	-0.464	50	10	BBGE	
Cc1cnc(CN(C)C(=O)C#CB(O)O)c(C)c1	2255670849	JGKCFVFVSLHWDC-UHFFFAOYSA-N	246.075	-0.328	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@H]1C[C@@H]2C[C@@H]2C1	2255681579	UPMJICRGQUAAJA-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
CCC1(NC(=O)c2nc(C)ccc2B(O)O)CC1	2255729081	POVXHHBOYKPPIF-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC=C(C)C1	2255729971	DHZXFKDGSYVOGF-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258154844	LQMHXLDSIJXBAQ-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376468	XWQQCPZZIUJVGG-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298377416	PYIQKFIEQLHQTM-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2C[C@@H]2C1=O	2300376137	XOORMEWELQHDIO-QEYWKRMJSA-N	237.303	-0.129	50	10	BBGE	
CC(C)N1CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2302833960	RKVKKKRYPWMBKA-UWVGGRQHSA-N	240.112	-0.694	50	10	BBGE	
N[C@@H]1[C@H]2C[C@@H]1N(CC(=O)NNc1ccccn1)C2	2308325771	ICQRUZZLIVQCSA-HOTUBEGUSA-N	247.302	-0.444	50	10	BBGE	
C[C@H]1C[C@H](C)C1n1cnc2c(B(O)O)ncnc21	2317087404	DKYAMILVLIIVDY-BQBZGAKWSA-N	246.079	-0.277	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2ccn3ncnc3c2)C1	2319705122	OONDXNROIULTQM-JTQLQIEISA-N	246.079	-0.222	50	10	BBGE	
Cc1ccn(C[C@H]2CC[C@@H](C(=O)NN)O2)n1	70687558	XFGNXPAFGWBQSP-BDAKNGLRSA-N	224.264	-0.271	50	10	BBGE	
NNC(=O)c1coc(CN2CCNCC2)c1	82469773	AJIHDPUTDWMDSC-UHFFFAOYSA-N	224.264	-0.712	50	10	BBGE	
NNC(=O)CCCN1CCC(N)CC1	82470846	XCUNGPMSSJOMCD-UHFFFAOYSA-N	200.286	-0.820	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	82511527	GFSJZKDBJFOESI-BQBZGAKWSA-N	248.710	-0.302	50	10	BBGE	
C[C@@H](CO)CSC[C@H](C)C(=O)NN	85140674	CVDBUGZSYAPNAI-BQBZGAKWSA-N	206.311	-0.026	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1c[nH]nn1	104643795	UJLCBFVSGSAQDP-UHNVWZDZSA-N	209.209	-0.778	50	10	BBGE	
CC(C)CCOCCn1cc(C(=O)NN)nn1	110553047	FQDXWBYICTVNSK-UHFFFAOYSA-N	241.295	-0.056	50	10	BBGE	
CC(CO)(CO)NC(=O)CCCCl	129126100	NQLMGMDBTBHCMI-UHFFFAOYSA-N	209.673	-0.135	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1cccnc1=O	132850017	CKEUADGITGFLMV-RXMQYKEDSA-N	202.597	-0.065	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)CCS1	133142007	FURDGWJCPHLBFM-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
O=Cc1ccc2nccc(B(O)O)c2c1	200841629	ZYCFEWKBGYNVLT-UHFFFAOYSA-N	200.990	-0.273	50	10	BBGE	
CN/C=C(/C#N)C(=O)N1CCN(C)CC1	217258213	MCTIDPJCTUDHAV-HJWRWDBZSA-N	208.265	-0.613	50	10	BBGE	
CN1CCN(c2nc(N)nc(CCl)n2)CC1	230607192	HEMBJDHGIBEYCK-UHFFFAOYSA-N	242.714	-0.056	50	10	BBGE	
O=C1CN(c2nnc(CCCl)o2)CC(=O)N1	236026350	ANOUBLWHTVYUDF-UHFFFAOYSA-N	244.638	-0.686	50	10	BBGE	
CCOc1ccc(C(=O)NN)c(N)c1N	238276327	AIZLOSFFKJXAJW-UHFFFAOYSA-N	210.237	-0.147	50	10	BBGE	
NNC(=O)NCc1ccc2oc(=O)[nH]c2c1	258728820	JTVCLOXWRXTTSY-UHFFFAOYSA-N	222.204	-0.206	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)CC2CC2)n1	294325913	YQSRAZOUSJFXSZ-UHFFFAOYSA-N	237.263	-0.141	50	10	BBGE	
OB(O)c1nc(O)ccc1C(F)(F)F	306835004	QTADEXZGWOVUEA-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
C[C@@H](O)[C@@H](C)NS(=O)(=O)CCl	307646558	BMDFQPKFHSDVLS-RFZPGFLSSA-N	201.675	-0.129	50	10	BBGE	
COCC(C)(C)N(C)[C@@H](C)C(=O)NN	308562661	GDWZMDVNOZNULV-ZETCQYMHSA-N	203.286	-0.278	50	10	BBGE	
CN(C)CCONS(=O)(=O)CCl	382264109	LOZKPTZCLDILGE-UHFFFAOYSA-N	216.690	-0.405	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCN2CC[C@H]1C2	395800027	FGISTBIQWOVAFG-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
COc1ccc(CC(=O)CCl)c(B(O)O)c1	396025192	TVQZOIIOZLVJTJ-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(F)cc1B(O)O	404959178	ZHVHLIKKNFCNDQ-MRXNPFEDSA-N	245.084	-0.011	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(CCCC(=O)NN)C1	688959584	MMDLFVHVHGOOOU-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@H]21	690716269	HYMNRDHLOJTCLC-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)OCCl)CC1	692821246	YNPCWJCEOUXOJZ-UHFFFAOYSA-N	236.655	-0.369	50	10	BBGE	
OB(O)c1ccn(Cc2ccccn2)n1	694269069	IHFVPEGKOSBCGZ-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
CC(=O)NCCN(C)[C@H](CC(C)C)C(=O)NN	695101826	CSJJECOHNMISTI-SNVBAGLBSA-N	244.339	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1C[C@H]2C[C@@H]2C1	697514879	DHDAHARAJKGRQU-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
O=S1(=O)CCCc2ccc(B(O)O)cc21	698029063	YXTPSAUDKYONBL-UHFFFAOYSA-N	226.062	-0.914	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CC1)C(=O)C(=O)NN	698365646	MEVQPSMOLLOEPC-HTQZYQBOSA-N	211.265	-0.519	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c(c1)CC(=O)N2	700889785	PZNFGQKNVUIIKV-UHFFFAOYSA-N	234.215	-0.506	50	10	BBGE	
N#CC1(O)CCN(c2nccnc2CO)CC1	701193073	SVRZJTXUXWMZNU-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
CC1(O)CN(Cc2csc(C(=O)NN)c2)C1	701647854	VUMWIWPRHBGVGP-UHFFFAOYSA-N	241.316	-0.082	50	10	BBGE	
O=C(NCB(O)O)c1c(O)cccc1F	701939623	NGZIRPUKNNWRAX-UHFFFAOYSA-N	212.973	-0.727	50	10	BBGE	
N#Cc1ccc(CC(=O)NNC(N)=O)cc1	704673767	XQPVQJQTCDLMDP-UHFFFAOYSA-N	218.216	-0.200	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708092863	HPPPLMSPBWIGOD-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](C(=O)NNC(N)=S)[C@H]1CCCO1	720574176	YLWWBFGCILTCGN-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
COCCC(=O)NNC(=O)Cc1ccccn1	729399518	XVRNCWDOCIMTMV-UHFFFAOYSA-N	237.259	-0.192	50	10	BBGE	
Cc1c(C(=O)NNC(=O)c2ccoc2)nnn1C	741679612	PMFYQXVIXDPUKP-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
O=C(CO)NNC(=O)C[C@H]1CCC(F)(F)C1	798114153	UNONXCNFIQYDSK-ZCFIWIBFSA-N	236.218	-0.048	50	10	BBGE	
Cc1c(C(=O)NNC(=O)C(C)(C)O)ccn1C	798997078	BOGAWRVOFHFFQU-UHFFFAOYSA-N	239.275	-0.135	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cn(C)nn1	808375541	YNTUDFFQQLSQIK-UHFFFAOYSA-N	211.225	-0.768	50	10	BBGE	
CNC[C@H](C)NC(=O)NNC(=O)c1ccoc1	851682484	WQOURPBUMATPBL-ZETCQYMHSA-N	240.263	-0.169	50	10	BBGE	
N#C[C@@]1(C(=O)NNC(=O)C2CC2)CCCOC1	864443815	KKSOCPRPNUMVAM-NSHDSACASA-N	237.259	-0.136	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)Cc1ccncc1	900931091	DGWDMIFULURESP-VMZHVLLKSA-N	249.270	-0.292	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2ccn(C)n2)n1C	1331675536	HVWYGURMOQXESP-UHFFFAOYSA-N	249.278	-0.457	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccc(F)cn2)n1	1455465535	IFANELUIHJESJR-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
Cc1noc(OCC(=O)NNC(=O)C(C)C)n1	1458963517	ZLVDRQIXZAOURF-UHFFFAOYSA-N	242.235	-0.440	50	10	BBGE	
CNC(=O)NNC(=O)c1cn(C)nc1Cl	1626582983	RAJWBJUAZJCTNW-UHFFFAOYSA-N	231.643	-0.353	50	10	BBGE	
CCO[C@H](CC)C(=O)NNC(=O)c1ncon1	1627099941	PMADRXXUJSABRK-ZCFIWIBFSA-N	242.235	-0.354	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1	1638526189	GWICZFCDJYCLRJ-RKDXNWHRSA-N	243.307	-0.754	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](NC(=O)F)C1	1882786977	GQTMEWWEDCFCJS-YFKPBYRVSA-N	210.230	-0.301	50	10	BBGE	
O=S1(=O)C[C@H](NCC2COC2)[C@@H](Cl)C1	1885008780	DPPIAAFGPCLUML-YUMQZZPRSA-N	239.724	-0.373	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1[C@H](C)O	1885791120	QZJHVQHSXNMMPA-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@@H]1C	1885873661	SQLFYNQWRVMKFR-DKXJUACHSA-N	201.270	-0.934	50	10	BBGE	
C[C@@H](O)CNS(=O)(=O)CCOCCCl	1889159413	PAFXPSUYYIMCQL-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@@](O)(CO)C1	1893445523	CTCQIVVLJUMQKI-BHNWBGBOSA-N	219.668	-0.431	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1895249005	VOADZVQQZLCYOS-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOC[C@@H]1C(=O)O	1895402394	BKYJEGCZGNOIRJ-NKWVEPMBSA-N	231.252	-0.748	50	10	BBGE	
CN(NC(=O)C1(C#N)CC1)S(=O)(=O)C1CC1	1901359549	YWEUHPPZQAQQDS-UHFFFAOYSA-N	243.288	-0.255	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ncc(B(O)O)s1	1902402621	GKYQGSQWJOUMHG-LURJTMIESA-N	238.077	-0.985	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@H](F)C1	1905000531	XVLJUWZAANUTCP-KYZUINATSA-N	233.287	-0.327	50	10	BBGE	
C[C@H](C[C@H]1CCOC1)n1cc(B(O)O)cn1	1905270972	RPEXMUJLIINOQC-RKDXNWHRSA-N	224.069	-0.450	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CN2CC[C@H]1C2	1905727101	WRRLODXMEJICCL-MMWGEVLESA-N	238.335	-0.752	50	10	BBGE	
C[C@@H](C(=O)Nc1ncccc1B(O)O)C1CC1	1913666876	BQPLIPXCVRUWTC-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)CCC1=O	1914270901	BUGBWJGZLXOLTI-QMMMGPOBSA-N	229.280	-0.870	50	10	BBGE	
CCCN(C[C@@H]1C[C@@H]1C(=O)NN)C1COC1	1915664808	QZVBWXYPSODXNS-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CCNC(=O)CC(=O)NNC(=O)C(F)(F)F	1923393229	AXMQHKIYQGFJOH-UHFFFAOYSA-N	241.169	-0.778	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CC[C@H]21	1924385556	MJNLEMSGIWRHCL-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC2(CC2)C1)C(=O)NN	1926421553	RESUQAILTXLWBU-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](Cl)CNC(=O)Cn1cnnn1	1928697759	FODDMECXNAFNLB-ZCFIWIBFSA-N	233.659	-0.957	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2COC[C@H]2O)C1=O	1931728994	AIHGZGXKWOGIFT-OOZYFLPDSA-N	219.668	-0.167	50	10	BBGE	
CS(=O)(=O)C1CN(C[C@@H](Cl)C#N)C1	1932097848	KQRVHQHOKIWPCT-LURJTMIESA-N	222.697	-0.154	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@]12CCOC2	1935056828	ZNBYLQYOJFLHAF-WCBMZHEXSA-N	213.281	-0.665	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C[C@@H]1C[C@@H]1C(=O)NN	1936095418	XANDFXGSQRHNSO-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@H]1CCCO1)CC1(C(=O)NN)CC1	1938246294	GRRSOUNBWHMTHK-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941083244	OPWJREWDELHUHJ-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
N#Cc1ncn(C[C@@H]2C[C@H]2C(=O)NN)c1C#N	1941092204	HFBIQLVUOSKCIO-NKWVEPMBSA-N	230.231	-0.748	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@@]1(CO)C2	1942114489	AETPNIPWDGABOO-CBAPKCEASA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943085156	PDLZQQOKYPSOAD-VPOLOUISSA-N	239.319	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CN)C[C@H]1C	1943685073	RPKAQZMXMYOLQY-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
CC1(C(=O)N2CCC(O)(C#N)CC2)CC(N)C1	1949424068	FMBVFYOYLWUFPC-UHFFFAOYSA-N	237.303	-0.009	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnccn2)C1	1951320215	GINHXQYYJLTDGG-QMMMGPOBSA-N	207.042	-0.475	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@H]1C	1961695957	LKCLIZZXIOIESB-YUMQZZPRSA-N	206.054	-0.394	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)[C@@H](C)C1	1977147470	OPDAETIIEXOCIQ-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@H](O)C1	1980518570	HBKXIKBSFXYCFO-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCN1CCC2(CCOC2)CC1	1980795719	ORWVUDQOKJCQND-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
ClCc1n[nH]c(=NC2CN(C3COC3)C2)o1	1981035719	IUKFKWPKLYSXEK-UHFFFAOYSA-N	244.682	-0.275	50	10	BBGE	
CCN(CCSC)c1ncncc1B(O)O	1981413754	KGMVYPOYMRKDPJ-UHFFFAOYSA-N	241.125	-0.654	50	10	BBGE	
C[C@@H](CC1CC1)Oc1ncc(B(O)O)cn1	1981421595	BRFRSDVKWQYIPA-ZETCQYMHSA-N	222.053	-0.276	50	10	BBGE	
CN(C)CCCOc1ncccc1B(O)O	1982842420	UKLNPGHUWHAUEQ-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
CC(C)(F)C1CCN(C(=O)C(=O)NN)CC1	1984252285	AMBWJHIFRLGOFC-UHFFFAOYSA-N	231.271	-0.037	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CO[C@]2(CCCOC2)C1	1984303637	ZCXZCJSDLHLGPS-WCBMZHEXSA-N	229.280	-0.160	50	10	BBGE	
OB(O)c1csc(OCCn2cccn2)n1	1986446939	XRAINUGXAKJDRN-UHFFFAOYSA-N	239.065	-0.902	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C2(CC2)C1	1987899664	LEPOKCNJXMIZMQ-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CC(C)(O)[C@H]1CCN1CCCCC(=O)NN	1989120371	YPBBCPORGFQBKO-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@@H]1C[C@H]1Cl	1991676573	BDDNXARRAWDHNZ-DAGMQNCNSA-N	247.678	-0.044	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1CO	1991706706	SJTCHQSPLCYBCS-SGJFDWMWSA-N	246.694	-0.557	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NCC#CB(O)O)O1	1992134174	JIVWRPPDBGEJMD-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
C=C(CN1CCCN2CCC[C@H]2C1)B(O)O	1992153624	QKUXSFLWKIHWNZ-NSHDSACASA-N	224.113	-0.275	50	10	BBGE	
C=C(CN1CCO[C@@H](CCOC)C1)B(O)O	1992167109	DWALPNVVXDGSJR-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1997867727	HNDFXLIKNQEFMV-ZNSHCXBVSA-N	238.335	-0.752	50	10	BBGE	
CCC1CC(C(=O)N[C@H](CB(O)O)C(=O)O)C1	1998136402	AMGFKFARSPNEFY-KAVNDROISA-N	243.068	-0.535	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)C2(CCC2)C1	2000815812	XNIAIMYCBNASMZ-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
CCCOCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2001339546	IHAJJZTVHMNTGH-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
CC[C@@]1(CO)COCCN1C[C@@H](C)C(=O)NN	2003264957	QWNLAQNIRPNKJY-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
CN(Cc1cscn1)c1ccc(B(O)O)cn1	2004918173	IKCBAYICOJBHTB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CN(CCOC1CC1)c1ncccc1B(O)O	2004929162	JDVQJSCAASEOSK-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
COC(C)(C)CCOc1ccncc1B(O)O	2004952609	SKQLXCUMXNGYAI-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006196635	BELWGYRHFOEIKN-MMWGEVLESA-N	241.335	-0.175	50	10	BBGE	
C[C@H](CN(C)c1ncc(B(O)O)cn1)C(F)F	2012201918	PWUQPZZEFFULNX-ZCFIWIBFSA-N	245.038	-0.506	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1C1(O)CC1	2013927268	KKQLMYQEDLTQDL-SECBINFHSA-N	241.291	-0.857	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	2017827500	WOVWUYKUAHFMHA-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccn(Cc2ccnn2C2CC2)n1	2018389730	RWFDVMHXCDUHTO-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC2(CC2)C1	2019219459	NCHWGDPNLXDLBA-UHFFFAOYSA-N	241.291	-0.734	50	10	BBGE	
COC[C@H](O[C@@H]1COC2(CCC2)C1)C(=O)NN	2020644907	BFQBKRCXHYMXAH-IUCAKERBSA-N	244.291	-0.281	50	10	BBGE	
C=C(CN(C)[C@H]1CO[C@@]2(CCOC2)C1)B(O)O	2021158013	VOWYMWFPEZSKOZ-MNOVXSKESA-N	241.096	-0.566	50	10	BBGE	
C=C(CN1CCC[C@H]1c1nncn1C)B(O)O	2021158475	CSPULRUMDQGLOR-VIFPVBQESA-N	236.084	-0.480	50	10	BBGE	
CCc1ccccc1C(=O)NCC#CB(O)O	2021163653	WXVBSKZHIXFSME-UHFFFAOYSA-N	231.060	-0.006	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1cccc(B(O)O)c1	2022196545	NZAQEVUWOKQJJO-SCZZXKLOSA-N	237.039	-0.546	50	10	BBGE	
Cc1ncc(C(=O)Nc2ccnc(B(O)O)c2)o1	2031812640	RIQMKCZXCJSHAO-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ncncc1B(O)O	2052467495	RKABDRPBKIECNE-UTLUCORTSA-N	247.107	-0.361	50	10	BBGE	
CN1CCC(N(C)c2ccc(B(O)O)cn2)CC1	2052474157	YFJFLXBINXSCNP-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCOc1c(C=O)ccc([N+](=O)[O-])c1B(O)O	2060147285	DAWFWUXPGCQABE-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@H]1CCN1C	2066394371	GIVDJSPNCNWNHT-LLVKDONJSA-N	249.123	-0.790	50	10	BBGE	
Cc1cc(OC[C@H]2[C@H]3COC[C@H]32)cc(B(O)O)c1	2068626474	GNXCWCJWRKOCAE-CLLJXQQHSA-N	248.087	-0.054	50	10	BBGE	
CCCN(C)C1CN(c2ccncc2B(O)O)C1	2072408664	TXMNMRZRTFAKSW-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2	2079012426	UAYMWAJLBNSJEY-ZWNOBZJWSA-N	245.087	-0.152	50	10	BBGE	
CN(CC1(Cl)CC1)C(=O)C(=O)NN	2209338724	KGMDPHDDIQWIFF-UHFFFAOYSA-N	205.645	-0.794	50	10	BBGE	
Cc1cn(C[C@H]2CC[C@@H]2C(=O)NN)c(O)n1	2211838529	IGYFBYOQHWYCFY-SFYZADRCSA-N	224.264	-0.087	50	10	BBGE	
C=CC[C@@H](N)COc1cc(B(O)O)ccn1	2212609103	ZJWHVXHEFWIPOA-SECBINFHSA-N	222.053	-0.956	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1ccc(B(O)O)cn1	2212612216	IGZWKPDEAATNML-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@H]1CN(C)C2)C(=O)NN	2213954704	JRZMYIIBGWJHNF-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C[C@H]2CC[C@H]1O2	2215198725	JHIGTCRTBSDGJH-UTINFBMNSA-N	243.307	-0.757	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)CCN1C	2215774724	DXADNDZAUANUSY-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CN1CC2(CCN2[C@@H](C(=O)NN)C(C)(C)C)C1	2216595193	NUVTUTUSXRMBNQ-VIFPVBQESA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C1(CN2CCOCC2=O)CCCC1	2216865807	IDEZQGZTLUEGGX-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
Cc1cnc(Sc2cc(B(O)O)ccn2)n1C	2217166072	DLBBGCXSUICEJP-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCC[C@H]2O)c1F	2217183505	IQGZQEWQIYFVSJ-HTQZYQBOSA-N	240.043	-0.774	50	10	BBGE	
CCC[C@H](CNc1ccc(B(O)O)cn1)OC	2217199354	CASNVRAGNSCQMZ-SNVBAGLBSA-N	238.096	-0.012	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2COC[C@H]21	2217202048	UKDXUUSIYNQQPB-QXFUBDJGSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H](COc1ccccc1)NC(=O)C(=O)NN	2217301114	JKPGFJZLIJPENN-QMMMGPOBSA-N	237.259	-0.440	50	10	BBGE	
OB(O)c1cccc(CN2CCNCC23CC3)c1	2220054267	RGBLDCDWXRCKIG-UHFFFAOYSA-N	246.119	-0.696	50	10	BBGE	
OB(O)c1ccnc(NC2CN(CC3CC3)C2)c1	2223626639	IYKMRCCKBFQSJM-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
CC(C)(C)C#CCCN=c1ncc(B(O)O)c[nH]1	2223632114	FWQDRIQTXMIWJO-UHFFFAOYSA-N	247.107	-0.570	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2ncccc2B(O)O)CC1	2223635187	UAEZHRKHLDYUSK-MGCOHNPYSA-N	249.123	-0.309	50	10	BBGE	
CC(C)n1ccc(=Nc2ccc(B(O)O)cn2)[nH]1	2223637440	FSJJYVOKCDBZFJ-UHFFFAOYSA-N	246.079	-0.296	50	10	BBGE	
CCc1ncc(CNc2ncc(B(O)O)cn2)[nH]1	2223638000	TZFWRFORMBATMQ-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCNC12CC2	2223640382	WCPVVLOGKIRJIG-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1NC1([C@@H]2CCCO2)CC1	2223648539	MNOHYJSJESSUKV-JTQLQIEISA-N	248.091	-0.115	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)ncn1	2223675626	XYLUZGVSKSUGDA-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
NC[C@H](CO)C(=O)N[C@H]1C[C@H](Cl)C1	2241657462	LFSNZSZMODHXCV-FSDSQADBSA-N	206.673	-0.560	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1coc(B(O)O)c1	2243350242	XYRGVMSBPFJDQX-HTRCEHHLSA-N	223.037	-0.560	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243364181	SHUJGDSDZQPOCZ-BQBZGAKWSA-N	226.085	-0.765	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCNC1	2243365737	RHHHQJNMASFOLB-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C=C1CON(C(=O)c2sccc2B(O)O)C1	2243375503	UQBYIYYVOKVPCN-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
CC(C)[C@@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381371	FOECIIJRYYEMOP-YIZRAAEISA-N	228.101	-0.661	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)cs2)[C@@H]1C	2243385717	NEWJCBUCEXBARY-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1sncc1B(O)O	2243397971	LZVDTBCZZOCTND-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccccc1	2243403790	CROLBVYMZOCKEH-VIFPVBQESA-N	217.033	-0.121	50	10	BBGE	
C[C@H](O)C(C)(C)NC(=O)C1CC(B(O)O)C1	2243404221	LBORIAJHBOCOFM-KKMMWDRVSA-N	229.085	-0.485	50	10	BBGE	
CCOCCNC(=O)c1sccc1B(O)O	2243408800	VMQIMFHPTMZINY-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
O=C(NCc1ccncc1)C1(B(O)O)CC1	2243411567	WKGJCKKLIBKOTD-UHFFFAOYSA-N	220.037	-0.295	50	10	BBGE	
CC#CCC(=O)Nc1cc(B(O)O)ccn1	2243702737	SCWLYGVVWYUILB-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
O=C(O)C=CCNC(=O)C1(B(O)O)CCC1	2243752750	LZLHCMUTAQZRAF-UHFFFAOYSA-N	227.025	-0.860	50	10	BBGE	
CCON(CC)C(=O)c1cocc1B(O)O	2244222370	MFWVGSRWSNFZQP-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)co1	2244222767	WIAHPFFRXCJFTE-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)oc1C	2247723110	QNHVJFXHPLTTPR-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H](O)C1)C1(B(O)O)CCC1	2247733991	FLUBMQVYOIYNGR-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2247736214	SNORLOCIBADYIO-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
CC[C@]1(CNC(=O)C2(B(O)O)CC2)CCCN1	2247750058	DIYBKELZKWLCJD-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(CC2)CO1	2247756262	SCEGKPOTNZBYFC-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)ccc1B(O)O	2247761381	UOXKKXZTAMHGJO-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCN1C	2247798353	SOLBRRZMBLAUDR-XNWIYYODSA-N	240.112	-0.598	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CC2	2247810221	VRNVITFBVMMHTE-IWSPIJDZSA-N	238.096	-0.940	50	10	BBGE	
Cc1ccn(NC(=O)c2cc(B(O)O)c[nH]2)c1	2247847664	ZZYBQVLZXLJWDD-UHFFFAOYSA-N	233.036	-0.812	50	10	BBGE	
NCC1(F)CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858985	IZOLPNHHNNQCHC-WXFYJTIXSA-N	244.075	-0.815	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ccoc1B(O)O	2247868016	PAOFDBUPMFMSPN-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
Cn1nccc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247888054	VHHKEFGRJBNRKR-ZKCHVHJHSA-N	237.068	-0.711	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCOCC1	2247898089	AJTAKAXVAPGTDR-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2248579021	XBMDAFDQOOTTAJ-YUMQZZPRSA-N	241.052	-0.828	50	10	BBGE	
OB(O)C1CCN(CCN2CCOCC2)CC1	2249355768	KSQCEASCSPJCTI-UHFFFAOYSA-N	242.128	-0.743	50	10	BBGE	
O=C(c1cocc1B(O)O)N1O[C@H]2CC[C@H]1C2	2249434285	YGDAQGKIDJKEBF-BQBZGAKWSA-N	237.020	-0.732	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1cc(B(O)O)co1	2249441064	SGLVNNPDYNTURV-WRWORJQWSA-N	235.048	-0.368	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1coc(B(O)O)c1	2255453609	IOMAQLXODJZJDE-NRPADANISA-N	247.059	-0.346	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)cc1F	2255502523	AESIHXAXFDLETI-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1C[C@H]2C[C@@H]2C1	2255504390	QNQYBFDXLTYIQJ-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2255571812	RZFQURAJTFCQLV-IUCAKERBSA-N	249.079	-0.427	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccc(F)cc2C1	2255671140	NEKMESIPEKZZKB-UHFFFAOYSA-N	247.034	-0.274	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2C=C[C@H]1C2	2255714574	SHNVJTPPGZOLDM-WPRPVWTQSA-N	244.059	-0.838	50	10	BBGE	
C=CCC1(NC(=O)c2ccncc2B(O)O)CC1	2255726188	STMKJCBYKKYOLZ-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ncncc1B(O)O	2255730024	FCORQEAKGVKNLL-CBAPKCEASA-N	249.079	-0.973	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1[C@H]2CCC[C@H]12	2255738513	UNBLXTYJUVRDPV-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)co1	2258122802	HGXZFUXFAYDJPA-NXEZZACHSA-N	249.075	-0.122	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1cocc1B(O)O	2258129299	VILAQCZZRRTYJP-QPUJVOFHSA-N	249.075	-0.026	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2CC[C@@H]2C1=O	2298167893	GDCYJODMRJMQHE-KATARQTJSA-N	237.303	-0.129	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369305	QCALSOZGIFJLCJ-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C(=O)[C@H]2CCCC[C@H]21	2298375343	GNJQZCNPOKTKAK-XSPKLOCKSA-N	237.064	-0.223	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1N(C)C	2298376771	NNBGUNSNSRKZGK-JXUBOQSCSA-N	240.112	-0.742	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1ccc(B(O)O)cn1	2300057236	PMFKBZMHMRUWJA-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
C#C[C@H]1N(C(=O)c2ccoc2B(O)O)CC1(C)C	2314514611	VQJBAMBSKGVWFW-SECBINFHSA-N	247.059	-0.557	50	10	BBGE	
C#CC[C@@H](O)CNc1ccc(B(O)O)cc1C#N	2317156866	WVWSNXSVSYPUQK-LLVKDONJSA-N	244.059	-0.966	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H](N)C1	2317164921	FSJLDVBVPVXLRU-WDEREUQCSA-N	245.091	-0.470	50	10	BBGE	
O=Cc1ccc(OCCC2CNC2)cc1B(O)O	2317306950	WEICMXXBNJUCPE-UHFFFAOYSA-N	249.075	-0.833	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN1CCNCC1	2324510707	RBXGSFKPDAXHOT-UHFFFAOYSA-N	222.292	-0.176	50	10	BBGE	
CNC(=O)C(=O)N/N=C/c1ccc(OC)cc1	7784943	WJCQWZQZCTXLPN-NTUHNPAUSA-N	235.243	-0.109	50	10	BBGE	
C[C@H](CSS(=O)(=O)O)NCCCN	31332125	YYRMCWSCVSQOOM-ZCFIWIBFSA-N	228.339	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)C(=O)O	37405296	DFEMUSQNHZBDMU-SCSAIBSYSA-N	220.250	-0.640	50	10	BBGE	
NNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCO2)C1	66055516	ZEUWVSVVLFHIQY-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@@H](C)C(=O)NN	82470894	QPMAMINMUFVDPD-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
C[C@@H](CSc1nnnn1C1CC1)C(=O)NN	82471960	DNZBUWWRGCWKAI-YFKPBYRVSA-N	242.308	-0.274	50	10	BBGE	
C[C@@H](CCC(=O)NN)Sc1n[nH]c(N)n1	82472948	GZEFKCYFAOIOMR-BYPYZUCNSA-N	230.297	-0.362	50	10	BBGE	
CC[C@@H](Br)C(=O)NC[C@@H](O)CO	85248845	SECLVKHOVLUQST-PHDIDXHHSA-N	240.097	-0.371	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cc(C(N)=O)cn1	86313803	HJLBEPKLIOKYEO-PHDIDXHHSA-N	225.252	-0.831	50	10	BBGE	
CC(C)(CSc1n[nH]c(N)n1)C(=O)NN	86598361	FOMOSLQDJKMSFD-UHFFFAOYSA-N	230.297	-0.505	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@@H](C(=O)NN)C(C)C	104115348	BXGSZVGXOPGUGH-SNVBAGLBSA-N	244.339	-0.589	50	10	BBGE	
NNC(=O)CCCOc1ccccc1C(N)=O	110918845	FHJPQGSBPLUOKW-UHFFFAOYSA-N	237.259	-0.066	50	10	BBGE	
C[C@@H](CN1CCC(OCCO)CC1)C(=O)NN	129813188	ZCLYQVUGCMEUSX-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CN(C)NC(=O)c1cncc(C#CCN)c1	149875926	TZYNEXXMNFQFDB-UHFFFAOYSA-N	218.260	-0.402	50	10	BBGE	
CN1CCN(C[C@H](O)CBr)CC1	156298044	YWQPGOGMDJYFOR-MRVPVSSYSA-N	237.141	-0.010	50	10	BBGE	
O=C(CCS)Nc1cccc(B(O)O)c1	218745905	CKDQVYYITVHZEC-UHFFFAOYSA-N	225.078	-0.375	50	10	BBGE	
CC(=O)OCC(=O)/C=C/C=N/NC(N)=O	224346955	OCAIDBVIDKPYRS-KHVHPYDTSA-N	213.193	-0.671	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CCC1	232419367	WHZVZTJNUGHTHP-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@](C)(O)C1	300027333	BVTVZHPKXWKWND-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](C)COC	309075338	JOOCXUZUEMDZDP-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
CC(C)[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	309426812	DGFNZTXXMVJOBJ-MNOVXSKESA-N	223.081	-0.617	50	10	BBGE	
COCCSCCO[C@H](C)C(=O)NN	378749280	PNQDLAWNSHYFHC-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
C[C@H](Cl)C(=O)N(CCO)C[C@@H](C)O	379365639	JMODWJVFJPEOQI-RQJHMYQMSA-N	209.673	-0.185	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N(C)C)[C@@H]1C	381934298	TXVUQZXCSFDICB-AEJSXWLSSA-N	228.340	-0.221	50	10	BBGE	
CC(C)(CCN1CCOCCC1=O)C(=O)NN	395624118	ZMACQEIBGZSNOJ-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
COC(=O)CCc1ccc(S)cc1B(O)O	396132998	KJRMNCFIKZDFMH-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
OCc1cc(B(O)O)cc2scc(O)c12	396336303	FUTGMKTYLOEZRB-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398878373	WPIJSGJOPKJIEE-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CCOCC(=O)NCc1ccccc1B(O)O	404913739	MCJKDTCEHFTFHZ-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1sccc1B(O)O	404925416	ZPXKZJLYUXALPK-NKWVEPMBSA-N	239.105	-0.300	50	10	BBGE	
CC[S@@](=O)Nc1cc(C)ccc1B(O)O	404940211	DRJZIEYACATMOF-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1ccc(B(O)O)cc1	404989797	ZLUPXVBAPLXKNB-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1csnn1	405055040	KVPSXQRBHBDLAE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@]1(C(=O)Nc2ncc(B(O)O)s2)C[C@@H]1F	405067737	WYQJEJHCYBIESN-RNHFCUEFSA-N	244.056	-0.491	50	10	BBGE	
CSc1c(F)ccc(O)c1B(O)O	575706154	SDRGGGDQSDVUDO-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@]1(O)C[C@@H](NCc2ccc(B(O)O)cc2)C1	585045544	CQIZGGQQFAAUDB-TXEJJXNPSA-N	235.092	-0.631	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnc3cnccn23)C1	585074777	CNDFBPXCZLKNCN-VIFPVBQESA-N	246.079	-0.222	50	10	BBGE	
COCCOC1CN(C[C@H](O)CCl)C1	687972579	NFACEXSDDSPWBM-MRVPVSSYSA-N	223.700	-0.067	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(CCCC(=O)NN)C1	688959586	MMDLFVHVHGOOOU-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](NCCCl)C1	689944170	YXLPLOCCYJOLOI-ZETCQYMHSA-N	226.729	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CC(N)=O)C1	690742510	XMHFIKDRIDVNRP-PSASIEDQSA-N	242.323	-0.802	50	10	BBGE	
COC[C@@H](CN(C)[C@H](C)CC(=O)NN)OC	691286782	NWEKYZGZLUPSSI-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2C[C@@]2(C(=O)O)C1	693336029	WVMUSBKSNLZLHV-HZGVNTEJSA-N	213.237	-0.421	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCO[C@@H](CO)C1	695059866	JMQAPGGPXVUQLV-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1CO	698213790	LGPPKANRAXTVGM-XVMARJQXSA-N	207.657	-0.432	50	10	BBGE	
CCc1nc(SCC(=O)NN)n[nH]1	714112891	FFBDJEKUOGEBAE-UHFFFAOYSA-N	201.255	-0.551	50	10	BBGE	
O=C(COC1CC1)NCc1ccccc1B(O)O	716965901	RKNDINLPXQSAJD-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC[C@@H](O)C(F)F	717275369	BNVUGBSRVBNLLM-FSDSQADBSA-N	249.213	-0.081	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COC[C@H]3C2)c1	718182213	HJZBERPEYCWOEO-TXEJJXNPSA-N	247.103	-0.555	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C(C)(C)O)C1)C(=O)NN	721778253	PNYAZMMTINSXAC-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ccn(C)n1	723523890	MPHQPZVLFMWYMH-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
O=S(=O)(CCl)NCC1=NCN=C1	725593857	BKQMMUSHROTBMI-UHFFFAOYSA-N	209.658	-0.415	50	10	BBGE	
C[C@@H]1CN(C)CC1=NNC(=O)[C@@H]1COCCO1	752165295	IFHPQEVURUOIFO-SCZZXKLOSA-N	241.291	-0.545	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)c1cc[nH]n1	814860881	LVOURWPSPRHXGR-SECBINFHSA-N	238.247	-0.335	50	10	BBGE	
CN(NC(=O)c1cnc(O)n(C)c1=O)C1CC1	819648473	FNGVAXUJZMYYHG-UHFFFAOYSA-N	238.247	-0.775	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(S(=O)(=O)CCl)CCO1	849399799	NYRBKDNVAWSVIA-RQJHMYQMSA-N	243.712	-0.406	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)[C@@H]1CCCO1	905063460	CJFLQGAJQKXCAG-SVRRBLITSA-N	200.238	-0.031	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC[S@](C)=O	1292880387	HSKCARFWVNBTRG-LZNQSLFOSA-N	230.289	-0.075	50	10	BBGE	
O=C(CC1COC1)NNc1cccnn1	1354002009	FWUUHKVFESBILL-UHFFFAOYSA-N	208.221	-0.044	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1CCNC(=O)CC1	1587203153	DEIJFYZDFRSKAI-MRVPVSSYSA-N	241.291	-0.294	50	10	BBGE	
O=C(CO)NC[C@@H]1C[C@@H]1Br	1877362161	UMOFDGMPHRCOIP-WHFBIAKZSA-N	208.055	-0.122	50	10	BBGE	
NCC1(O)CN(C(=O)[C@H]2C[C@@H]2Br)C1	1883537703	KTAZKCCLYRVGSX-WDSKDSINSA-N	249.108	-0.698	50	10	BBGE	
C#C[C@@H](CCl)NC[C@@H]1CCS(=O)(=O)N1	1884830405	DBVWNAOMMNMBRG-YUMQZZPRSA-N	236.724	-0.492	50	10	BBGE	
C[C@H](CO[C@H]1COC[C@H]1C)C(=O)NN	1888708504	UDITXRGSIYQAMC-PRJMDXOYSA-N	202.254	-0.336	50	10	BBGE	
C[C@H](OCC1[C@H]2COC[C@H]12)C(=O)NN	1890317708	WZSPPUFWKRWHQO-ACZMJKKPSA-N	200.238	-0.726	50	10	BBGE	
CN(Cc1nnn(C)n1)C[C@H](Cl)C#N	1894779706	WHZNAPUMGHHKPT-ZCFIWIBFSA-N	214.660	-0.227	50	10	BBGE	
NC[C@@H]1C[C@@H](NC(=O)C=CC(=O)Cl)CCO1	1897219540	PHVWMOBVTPUTQM-YUMQZZPRSA-N	246.694	-0.070	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N1CC[C@@H]1C	1899946694	MVLQGMOQNPUOJW-YFKPBYRVSA-N	240.093	-0.634	50	10	BBGE	
C[C@H]1CCC[C@@]1(N)C(=O)NN(C)S(C)(=O)=O	1901378291	YTKCXGXYLQHJCT-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
CO[C@H]1CCN(Cc2nc(B(O)O)cs2)C1	1902639154	LYEOTIJWMQMREL-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCN(C)[C@@H]2C1)C(=O)NN	1905722475	JDIXVPMBPJUFTQ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21	1909080371	PANAHIBJQSVEIO-XDQCBXAXSA-N	239.275	-0.999	50	10	BBGE	
COc1ccccc1C[C@@](C)(N)B(O)O	1912277826	KLQXPKDGFAKFPP-SNVBAGLBSA-N	209.054	-0.033	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CC2(CC2)C1	1913641777	NSTBQKGPAPQVGC-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@H]1C	1914253938	HJRUGZBXOZARFB-MAUMQABQSA-N	215.297	-0.544	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@@H](C(=O)NN)C(C)C	1916836516	CWGWUDUULHEHEJ-HTQZYQBOSA-N	230.312	-0.933	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NCB(O)O	1927829501	OTVSNIIPPZDQOC-HXFLIBJXSA-N	211.070	-0.203	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)CO	1927914905	ZOOGZRPLNFCUMA-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
Cn1cc(OC[C@H]2C[C@H]2C(=O)NN)cn1	1927918154	POKACCQJBSDCAZ-HTRCEHHLSA-N	210.237	-0.575	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1csnn1	1930600155	AIDGQJTVTFZCAF-ZETCQYMHSA-N	229.309	-0.262	50	10	BBGE	
C[C@@H]1CCS[C@@H]1C(=O)NNCCO	1930900150	OHQCUWPZENGHHZ-RQJHMYQMSA-N	204.295	-0.259	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC2(CCC2)C1	1931628504	VPIHASCWKUUTEH-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1COCCO1	1939103588	YBLSTYMILVWXFP-XHNCKOQMSA-N	230.264	-0.956	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941087225	WCFOVCGAWYBITG-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)C1O	1941090572	PFNAEHQFCVVIJH-IMSYWVGJSA-N	241.335	-0.439	50	10	BBGE	
O=S(=O)(CCO)NCC(Cl)Cl	1953224722	VDKSZEGPABDHIR-UHFFFAOYSA-N	222.093	-0.298	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@@H](CCl)CO1	1957844523	PERJDSRXVLVSCR-NKWVEPMBSA-N	231.687	-0.312	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(=O)NC(=O)[C@@H]1C	1958793622	MNOKRKFMRDWIKW-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
COCCn1nnnc1CNC(=O)CCl	1961179129	RKDOVPYONGPXGN-UHFFFAOYSA-N	233.659	-0.826	50	10	BBGE	
C#CC1(NC(=O)c2cccc(B(O)O)c2)CC1	1963752603	WWJJTLCBRJKDQS-UHFFFAOYSA-N	229.044	-0.738	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)CC1(F)F	1975944168	NJJIHIRARBUSEX-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]1c1ncon1	1976760556	IKXBRFFONZTVJJ-NKWVEPMBSA-N	225.252	-0.415	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)N1CCC1	1977123302	UZLJYBGRBRQWLP-UHFFFAOYSA-N	240.093	-0.657	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@H]2C[C@H]21	1981143791	PAIPBTVXGVLKLC-VGMNWLOBSA-N	227.308	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217672	WHTXFUBSAUOJAR-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1CSCCN1c1ncccc1B(O)O	1981424529	UZIZOFUJFLTUKI-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)c1nc(B(O)O)cs1	1981470316	ACLHKVQMDCHVGU-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
C=C[C@]1(O)CCCN([C@@H](CC)C(=O)NN)C1	1990540956	WSOZLAQSJWUMPQ-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(O)cc1	1991327795	RPIKFSLHTAOTMG-UHFFFAOYSA-N	221.021	-0.310	50	10	BBGE	
C[C@H](CN(C)[C@H]1COCC1(F)F)C(=O)NN	1991602589	JROHYYDDABDIOS-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
Cn1cc(C(=O)[C@H]2C[C@@H]2Cl)c(=O)n(C)c1=O	1991685612	MGSAMJYALOXQPY-FSPLSTOPSA-N	242.662	-0.106	50	10	BBGE	
C=C(CN(CC)[C@@H](C)CS(C)(=O)=O)B(O)O	1992146483	UHAHVGYTDQHYCY-VIFPVBQESA-N	249.141	-0.690	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]1c1ncon1	1997763962	CMRYAEZSTIGAOB-RXMQYKEDSA-N	247.205	-0.558	50	10	BBGE	
NNC(=O)C(=O)NCc1ccncc1C(F)F	2001924437	XRAONMDBTVEXKO-UHFFFAOYSA-N	244.201	-0.375	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](n2cncn2)C1	2004327589	PJOQSVZXLZDZQN-RKDXNWHRSA-N	238.295	-0.707	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1C(=O)NC2	2004791677	KFLKVAQMZXSJNL-CIUDSAMLSA-N	240.307	-0.892	50	10	BBGE	
C[C@H](CN1CC[C@H](CCO)[C@@H](C)C1)C(=O)NN	2004907460	RWQYOSMEGOEBIX-HBNTYKKESA-N	243.351	-0.047	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1ccncc1B(O)O	2004915640	BCJYLIKXVBYHAV-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
CC[C@H]1CCN(c2ncc(B(O)O)cn2)[C@H]1C	2004916118	IBALTBFVINLSKZ-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3CC[C@H]32)nc1	2004919285	XAYXUNQFZIDQJA-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(OC2CCOCC2)c(F)c1	2004928954	HHGRWQDLDUVCHE-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CC(n2cccn2)C1	2011123444	BNSWWFRDXRRVGI-XNWIYYODSA-N	237.307	-0.103	50	10	BBGE	
Cc1ncnc(OC[C@@H]2[C@@H](C)[C@H]2C)c1B(O)O	2011600134	MHNSSFIEFAQIRP-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
CCN(CCOC)c1ncc(F)cc1B(O)O	2014926396	MTIAGZKOHBEGRD-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CC[C@@H]1C[C@@H](F)C2	2017214214	LLWHBEDKYXGORS-OWUUHHOZSA-N	245.298	-0.042	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@@H]2CCCCC[C@@H]12	2021108496	BPZAXLMGIAACGQ-NXEZZACHSA-N	235.092	-0.056	50	10	BBGE	
Cc1cccc(CC(=O)NCC#CB(O)O)c1	2021164533	IVLPHJUNHVYYBA-UHFFFAOYSA-N	231.060	-0.331	50	10	BBGE	
OB(O)c1cccc(OCc2ccnnc2)c1	2026213050	XZNHHBAYBVVZJA-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
OB(O)c1cccc(OCCCn2cncn2)c1	2028722836	RMSRBRHHGKDDJK-UHFFFAOYSA-N	247.063	-0.573	50	10	BBGE	
CN1CC[C@H](CN(C)c2ccncc2B(O)O)C1	2052499677	XDHYDAIHEGXFDH-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@]2(C)C[C@H]2C)n1	2052620687	WWYVTOAYAPZRJB-PELKAZGASA-N	249.123	-0.053	50	10	BBGE	
CCc1ccc(OC)c(B(O)O)c1[N+](=O)[O-]	2060059959	QQPPBHHQYZREPT-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@H]3COC[C@H]32)n1	2066309756	OALBDPSCJHJONQ-GZMMTYOYSA-N	248.286	-0.484	50	10	BBGE	
C[C@@H]1OC2(COc3cncc(B(O)O)c3)CC1C2	2068636213	AMFDBJHWXAVZNK-QTZUAFFRSA-N	249.075	-0.292	50	10	BBGE	
CO[C@H]1C[C@@H](COCCC(=O)NN)C1	2209985509	JHMGCBCONIUULK-OCAPTIKFSA-N	202.254	-0.192	50	10	BBGE	
CCN1CC[C@@H](OCCC(=O)NN)C1	2209995479	RQVYSRLRNRJYQW-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2211838707	KMPIAKBZPSIYQR-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
CCN(C[C@@H](C)O)CC1(C(=O)NN)CCC1	2212267851	YFXKMICJZKAZFN-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccnc(NCC2(F)CC2)c1F	2212604544	QAGVTGDMMSQFSL-UHFFFAOYSA-N	228.007	-0.186	50	10	BBGE	
Cc1c[nH]c(=NCCC2CC2)cc1B(O)O	2212605296	BIAWOCMEOIGTEI-UHFFFAOYSA-N	220.081	-0.296	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)N(C)C	2212609987	AJXMHSJTLZABIY-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1COCCn1ccnc1	2215776669	OFNUOAUIAWAAEF-ZJUUUORDSA-N	238.291	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H]2COC[C@H]2C1	2215776683	OJOKQVGJRVXACI-ZNSHCXBVSA-N	239.319	-0.419	50	10	BBGE	
C=CCCOC(=O)Nc1ccnc(B(O)O)c1	2216301776	SLHBDEAMZRDFKX-UHFFFAOYSA-N	236.036	-0.114	50	10	BBGE	
NNC(=O)C1(CN2CC=CC[C@H]2CO)CCC1	2216493367	DQBIGBHKHZPTKQ-JTQLQIEISA-N	239.319	-0.231	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@]23CCOC3)c1	2217174413	YUOWOWJZTPNOJI-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
CC[C@H](C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2217179243	IILYANWQQLFMLF-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(NC[C@H]2CCNC2)cc1B(O)O	2217181721	UGCNQNAFHWLUKC-VIFPVBQESA-N	235.096	-0.909	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2217183704	NGBARKJAYDZCBI-OMHSBUABSA-N	230.076	-0.172	50	10	BBGE	
N[C@H]1C[C@H](COc2nccc(B(O)O)c2F)C1	2217188966	WMAYWOHYYCXCDV-LJGSYFOKSA-N	240.043	-0.983	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@H]1CCCN1	2217191543	KMIUMKUNCQWFQN-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2OCC[C@H]12	2217199042	JQTHZQGTPJACGR-SZEHBUNVSA-N	234.064	-0.649	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncccc2B(O)O)CN1	2217201504	QICBIIKKKJUNGC-MRVPVSSYSA-N	235.096	-0.686	50	10	BBGE	
CCCN(CCCO)c1ccc(B(O)O)cn1	2217203308	SJDCRAWJMFZUGL-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@H]3C[C@H]2CN3)cc1B(O)O	2223649814	DJPDPVKKXMCQFB-NGZCFLSTSA-N	248.091	-0.801	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCNC23CC3)c1	2223653579	JPHHSGJVDUHWHU-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
CCc1ocnc1CNc1ccc(B(O)O)cn1	2223672217	SLHSFHOZJYFBJV-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
COc1ccncc1Nc1ncc(B(O)O)cn1	2223673788	ZGDVTQSDFVTBLW-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)cs1	2241495285	IASZTFZXOSRFHG-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
CCCN(C[C@@H](C)O)[C@@H](C)C(=O)NN	2242074746	CSMNGSIVQICYCZ-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CC/C=C\CNC(=O)c1ncsc1B(O)O	2243358107	CEEUQVVUBDYVOM-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@H]2C[C@@H]21	2243358334	FNSSXLAVCQWQLV-XPUUQOCRSA-N	237.089	-0.338	50	10	BBGE	
C[C@H](c1nccs1)N(C)C(=O)C#CB(O)O	2243361602	DLGOBSDMCKHHCZ-SSDOTTSWSA-N	238.077	-0.322	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNC(=O)C1(B(O)O)CC1	2243364741	BOECEACATUTXPD-HTQZYQBOSA-N	229.085	-0.483	50	10	BBGE	
CNCC[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243365691	QANCXQJRXXOXEO-MRVPVSSYSA-N	228.101	-0.502	50	10	BBGE	
Cc1csc(C(=O)N2CCCO2)c1B(O)O	2243377870	IKDLSCHYTXGABF-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)oc1B(O)O	2243377923	JKJXHONELMZPEO-CAHLUQPWSA-N	223.037	-0.594	50	10	BBGE	
O=C(N=c1cc[nH]cc1Cl)[C@H]1C[C@@H]1B(O)O	2243381355	FLRPVVZVIRSYHG-WDSKDSINSA-N	240.455	-0.042	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243383104	UJHDRPDNTLDDQI-UTLUCORTSA-N	221.065	-0.136	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)sn1)C1(C)CC1	2243415691	ZYUJMOUBOBPGIR-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1CC1(C)C)B(O)O	2243432762	DCAHQZHQSWKVFK-MRVPVSSYSA-N	247.125	-0.480	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2243756719	WRSLDHIBDJMTJP-GRQBKTHUSA-N	229.041	-0.924	50	10	BBGE	
O=C(NC1CCCC1)c1cc(B(O)O)co1	2244205080	FMAVTWDEGWTAFS-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cocc2B(O)O)[C@@H]1C	2244205706	MNSXMKUMSKARMB-GJVVYLMISA-N	223.037	-0.656	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3C[C@@H]32)n1	2247233453	PTQKDPNAUVOZFQ-CBAPKCEASA-N	234.064	-0.631	50	10	BBGE	
OB(O)c1ccc(COC[C@@H]2CCO2)c(F)c1	2247635491	WEVWQFXXZYSROY-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247750010	CTRHJVWOIYOSID-VIFPVBQESA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccc(F)c(B(O)O)c1	2247752500	QNTSLDPUMGDXNV-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(C)c(B(O)O)o1	2247790281	BXMCTPQSGHWCAA-QMMMGPOBSA-N	237.064	-0.108	50	10	BBGE	
CN1CC[C@@](C)(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247790348	GWHDIEPFSXSLRW-WCABBAIRSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@@H](CO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247791225	LVVYFLHDMXIZRW-LPEHRKFASA-N	241.096	-0.626	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)C2O	2247791812	OWFVQWHUHHMVMJ-RXXAIYHKSA-N	239.080	-0.921	50	10	BBGE	
CCc1conc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247792953	VSSULVWAEROMGL-JGVFFNPUSA-N	238.052	-0.284	50	10	BBGE	
COC1CCN(C(=O)C2CC(B(O)O)C2)CC1	2247797443	JROABVMKYAJOMB-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]1CCCO	2247799523	DVPJKNVUEBGVJG-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC12CCOCC2	2247803858	DGLVZFCNACKVKB-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CC(C)[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806545	FWRCUYMBLSNCTB-KKZNHRDASA-N	241.096	-0.531	50	10	BBGE	
CN1CC2(CCN(C(=O)[C@@H]3C[C@H]3B(O)O)C2)C1	2247809599	ZWQOXFCJLWUIIV-RKDXNWHRSA-N	238.096	-0.987	50	10	BBGE	
O=C(NCC1(F)CCC1)c1ccoc1B(O)O	2247868871	JBQWSTKFMCUFSD-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1coc(B(O)O)c1	2247871880	IWVZKRSDUIKKPM-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
CC[C@H]1COCCN(C(=O)C2(B(O)O)CC2)C1	2247877338	GOUMQDFSCOOAOX-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
O=C(N1C[C@H]2NCC[C@@H]2C1)C1(B(O)O)CCC1	2247878102	HRJLVDCXYFKXRP-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
CCN1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247878186	IFINLMVNMBYYBL-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
COCC1CCN(C(=O)C2(B(O)O)CC2)CC1	2247880395	ZYKWQYMSBFPSHJ-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
O=C(NCc1cccc(O)c1)[C@H]1C[C@H]1B(O)O	2247897425	SFGCDCNELUJHRU-VHSXEESVSA-N	235.048	-0.129	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H]2B(O)O)c(C)o1	2247899079	KFMBRPDKEBERLS-JGVFFNPUSA-N	238.052	-0.229	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2[C@H](C1)C2(F)F	2247900087	SVTZTKVJEGAJHB-UFYGHTOTSA-N	245.034	-0.037	50	10	BBGE	
CCOC12CC(C1)N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247900178	USEBWJNVBMQLSG-QMFGVRBNSA-N	239.080	-0.371	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247900642	YOYFZLZWBWRPMR-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247909405	JNJCONRLLTZORB-YIZRAAEISA-N	240.112	-0.422	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CCCO1	2247979061	TWAHIPQXYCDXNR-UHFFFAOYSA-N	236.036	-0.464	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248576294	FHIWMXPRFZWJTE-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
CC(C)(C)OC(=O)CNC(=O)C1(B(O)O)CC1	2248589912	WSJGFTXKOZOLSL-UHFFFAOYSA-N	243.068	-0.549	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@@H](C(=O)NN)O1	2249014027	OIXSXCHFUOFQHR-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
C=C[C@@H]1COCCN1c1ncccc1B(O)O	2249034833	CJXHXTARLIUGSV-SECBINFHSA-N	234.064	-0.847	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cocc2B(O)O)C1	2249410587	OCHPZIIDZCWBDS-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ncccc1F	2249998955	PJMUVIUATLEIAG-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
C#CC1(NC(=O)c2cscc2B(O)O)CCC1	2250675950	GPMPLUPMHCGUEW-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N1CC=CC1	2255497426	AXSLAJYXNMKXED-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255520772	OFLJSCXKXVLUMV-SNVBAGLBSA-N	248.091	-0.224	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ncncc1B(O)O	2255521185	SZASDXBTMJCNCO-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cccc(B(O)O)c1F	2255746274	XLBCMMUQWCNWTB-RNFRBKRXSA-N	249.050	-0.356	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CC[C@H]3C2)oc1B(O)O	2255781088	IJJWLWDPPZNXIX-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1cc(B(O)O)co1	2258124075	XJKTYHLQOAAIAM-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1C[C@H]1B(O)O	2298376969	ZUCMQLIEDXYMHU-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2299936452	SSPJODXJSFUHEA-PSASIEDQSA-N	241.096	-0.245	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCC[C@@H]1C[C@@H]1C(=O)NN	2300369153	KCCFDJNONIOPGS-HLTSFMKQSA-N	242.323	-0.802	50	10	BBGE	
CNC[C@H](C)Oc1ccc(B(O)O)cc1C#N	2301341686	RVKGJDBQRXHUIP-QMMMGPOBSA-N	234.064	-0.775	50	10	BBGE	
OB(O)c1ccnc(N(CCF)CCF)c1F	2301644067	OBSBMVQKTOHJPD-UHFFFAOYSA-N	248.013	-0.354	50	10	BBGE	
CC(C)N1CC[C@@H](N2CC[C@H](B(O)O)C2)C1=O	2303104501	JGGSFTCXWISEJH-VHSXEESVSA-N	240.112	-0.456	50	10	BBGE	
Cc1nc(CCCN2CC[C@@H](B(O)O)C2)n[nH]1	2306976563	YZLDGVVJHUIMQT-SECBINFHSA-N	238.100	-0.406	50	10	BBGE	
N[C@@H]1[C@@H]2CC[C@H]1N(Cc1cccc(B(O)O)c1)C2	2312408778	CIBLSIDEFALPIO-RAIGVLPGSA-N	246.119	-0.712	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)[C@@H](C)CO	2317152015	XGFWUDMNMWGEOZ-IUCAKERBSA-N	248.091	-0.333	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@@H]1CN	2317160401	CYIJYXFKIYZAEQ-PSASIEDQSA-N	245.091	-0.755	50	10	BBGE	
O=Cc1ccc(OC[C@H]2C=CCN2)cc1B(O)O	2317312987	PMZYALSICYGYTN-SNVBAGLBSA-N	247.059	-0.914	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)NC(=O)CCl	42576064	KMUZQOWNSHHOOV-SCSAIBSYSA-N	221.644	-0.815	50	10	BBGE	
CC(C)(NC(=O)NC(=O)CCCl)C(N)=O	45112701	KACBZHFGCRQFKS-UHFFFAOYSA-N	235.671	-0.295	50	10	BBGE	
CCCCN(CCO)[C@@H](C)CC(=O)NN	58845530	OZBYRERZSDQRAP-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CCN(CCOC)C(=O)CCCC(=O)NN	58848881	LLINKDCDOFZZJC-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
CCCCN(CCO)CCC(=O)NN	58849038	JBTWQHJVPBVZSF-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(CO)CC1	82465784	MRHLULPWIOTBNO-SECBINFHSA-N	215.297	-0.541	50	10	BBGE	
CN(CCO)Cc1ccc(C(=O)NN)cc1	82468850	PTASZBHCTJEXNK-UHFFFAOYSA-N	223.276	-0.286	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](N(C)C)C1	82469338	RRZRWGBOHPELEF-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](C)C[C@@H](C)NC(=O)C(=O)NN	83866838	QRFKABHDLGSTDV-NKWVEPMBSA-N	201.270	-0.083	50	10	BBGE	
CC(C)(C)[C@H]1CCN(C(=O)C(=O)NN)C1	132548179	BKSYYFVMBDQCRT-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
CC(C)C[C@H](NC(=S)[C@H](C)N)B(O)O	200437738	KGIJGDFACIZVGQ-BQBZGAKWSA-N	218.131	-0.323	50	10	BBGE	
COC[C@@H](C)Oc1ccc(B(O)O)cc1	203562477	ZUXVCIYKOUUXGK-MRVPVSSYSA-N	210.038	-0.220	50	10	BBGE	
CCC[C@@H](N)C(=O)N[C@H](CC(C)C)B(O)O	213616382	DWDSWBYEFFOINZ-RKDXNWHRSA-N	230.117	-0.343	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H](N)CC)B(O)O	213697974	INMYVQXGWVHEKG-HTQZYQBOSA-N	216.090	-0.589	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H]1CNC(=O)C1	229035974	XDFMKKVTPYGHBU-UHNVWZDZSA-N	235.081	-0.226	50	10	BBGE	
O=C1NC(=O)[C@@H](c2cncnc2)[C@H]1Cl	232095562	GYHPRWHDWKXLIU-NTSWFWBYSA-N	211.608	-0.176	50	10	BBGE	
O=C/C=C/[C@H](O)[C@H](O)CBr	238692713	JPSNWESNMHSJOW-AUGZYCGMSA-N	209.039	-0.142	50	10	BBGE	
O=[N+]([O-])c1cc(Br)cc(B(O)O)n1	306573730	HQLPYOAFIJZHNU-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
OB(O)c1ncc(O)cc1C(F)(F)F	306611184	CEENRYRXASQACI-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
O=S(=O)(CCCl)N1CCN2CC[C@H]1C2	306838332	XFEZJFFVSPDBAI-QMMMGPOBSA-N	238.740	-0.055	50	10	BBGE	
OB(O)c1cc2sc(O)cc2cc1O	307104354	HYJZTYBLUBALKF-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@@]1(O)CCC/C(=N/NC(N)=O)[C@@H]1O	307668582	KOLJHRKQGBHBCP-JQVGVLFISA-N	201.226	-0.694	50	10	BBGE	
Cn1ncc(/C=C\C(=O)O)c1C(=O)NN	379643898	NBSJXUIYQPGHTA-IHWYPQMZSA-N	210.193	-0.879	50	10	BBGE	
COC[C@H](C)CN(C)CCCC(=O)NN	389882950	PJOCEDPBMMVXBS-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1CCC#N	396138019	NTNYTSWGGUTZOP-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
Nc1ccc(CO)c2scc(B(O)O)c12	396255210	XJOUCEQOMZRGEC-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCOC1	398959628	YAHAHRIFUWQMER-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CNC(=O)CCSC[C@H](C)C(=O)NN	399211651	RFFMTMMAFLHSFN-LURJTMIESA-N	219.310	-0.518	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@H]1COC(=O)N1	496060395	IMUXVQUGYQECAZ-ZCFIWIBFSA-N	244.251	-0.775	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1	584992579	MYPOURQSISRIJY-LLVKDONJSA-N	233.076	-0.009	50	10	BBGE	
CNC(=O)CSCC(F)(F)C(=O)NN	685956397	TZKBDSVZLFIZTA-UHFFFAOYSA-N	227.236	-0.909	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	694831466	ZHYUOBHGDWOLHH-IONNQARKSA-N	213.281	-0.524	50	10	BBGE	
CCOC(=O)CCC(=O)NNC(N)=O	700869543	KNMMRIFFJCVBNS-UHFFFAOYSA-N	203.198	-0.971	50	10	BBGE	
CCN(C1CCC1)[C@H](COC)C(=O)NN	706762792	QEDLDAWCMQEDKZ-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1CO	708123292	FGRSCUDDHCBHRC-IWSPIJDZSA-N	215.297	-0.827	50	10	BBGE	
CN(C)[C@@H](C(=O)NN)[C@H]1CCCOC1	708188068	CUSNKTNAZTUNRN-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H](O)C[C@H]1C2)C(=O)NN	710476158	KJTAKUXIJITNIW-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2CCCC[C@H]21	712568588	RSDCCDQJBMBVMB-BWZBUEFSSA-N	211.265	-0.329	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723022335	OGBCNMGGWLTQLY-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
COC[C@@H](SCCCCN)C(=O)NN	723638237	MVZNRLOWJIBZAJ-SSDOTTSWSA-N	221.326	-0.537	50	10	BBGE	
CCC[C@@](C)(O)C(=O)NNC(=O)c1cnn[nH]1	770953927	VTNAZEITJJOEAP-SECBINFHSA-N	241.251	-0.883	50	10	BBGE	
CN(C)C(=O)C1(C(=O)NNC(=O)C2CC2)CC1	788263397	MMRDKTPNEYAGBE-UHFFFAOYSA-N	239.275	-0.588	50	10	BBGE	
C[C@H]1C(=NNC(=O)C(=O)NC2CC2)CO[C@@H]1C	844570592	BTQIZYYIBVUNEP-RNFRBKRXSA-N	239.275	-0.208	50	10	BBGE	
NC1(CC(=O)NNc2ncccn2)CC1	852815508	VTYRTASZRZGKPG-UHFFFAOYSA-N	207.237	-0.199	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)C(C)(C)O	861205770	PBBTUEBFAITLNX-UHFFFAOYSA-N	240.263	-0.890	50	10	BBGE	
COCCN(C)NC(=O)COCC(F)F	861657247	RRHXTVCPIQWIMH-UHFFFAOYSA-N	226.223	-0.123	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H](C)CCN(C)C	1299011902	YKJOBWBXILKRIV-UWVGGRQHSA-N	231.340	-0.082	50	10	BBGE	
CNC(=O)NNC(=O)Cn1cncc1C	1328814254	DWFUYWFGAXKMOU-UHFFFAOYSA-N	211.225	-0.848	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1ccnnc1	1630214557	GEBBFLDXVISVSH-VIFPVBQESA-N	249.274	-0.668	50	10	BBGE	
CC(=O)N(C)CC(=O)NNc1ccncn1	1637047074	MNUUUIXECVYJJR-UHFFFAOYSA-N	223.236	-0.602	50	10	BBGE	
Cn1ncc(CCC(=O)NNc2nc[nH]n2)n1	1648831513	ILSHKBWHPWUCFI-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
Cn1ccc(NNC(=O)CCc2cnn(C)n2)n1	1651000651	DTDVKLYJYXMTLS-UHFFFAOYSA-N	249.278	-0.376	50	10	BBGE	
N#CCCNC(=O)NNC(=O)c1cnsn1	1680661072	RSIVTSIQYANJQQ-UHFFFAOYSA-N	240.248	-0.604	50	10	BBGE	
O=[N+]([O-])C1CN(S(=O)(=O)CCl)C1	1875791138	XHQIIYWPOYRFMQ-UHFFFAOYSA-N	214.630	-0.527	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](F)[C@@H](CO)C1	1881831718	CGFNDFMYGHJLRG-RITPCOANSA-N	231.676	-0.225	50	10	BBGE	
C#CCNC(=O)CNC(=O)CCBr	1882884108	GITALCVHMKCHGX-UHFFFAOYSA-N	247.092	-0.363	50	10	BBGE	
O=C(NN1CCNCC1)[C@H]1C[C@@H]1Br	1883531655	VMPWQAAFXUAOHM-BQBZGAKWSA-N	248.124	-0.294	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1883645234	NAUZNQOKFLYNGP-UCROKIRRSA-N	205.641	-0.510	50	10	BBGE	
O=S(=O)(CCl)NCCSCCO	1886528219	ZWIPQWFROIBRKL-UHFFFAOYSA-N	233.742	-0.172	50	10	BBGE	
CCS(=O)(=O)CC(=O)NCC#CCCl	1887962736	PNRIVUOHTZEBAR-UHFFFAOYSA-N	237.708	-0.221	50	10	BBGE	
O=C(NC[C@H](O)C(=O)O)C1CC(Cl)C1	1893475800	XZVXNLQTBDPEON-WRVKLSGPSA-N	221.640	-0.435	50	10	BBGE	
NC(=O)C1CN(C(=O)/C=C/C(=O)Cl)C1	1893497821	LPGSXERYRKQIMV-OWOJBTEDSA-N	216.624	-0.748	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1[C@H](C)CC(=O)NN	1896026678	QVMICFWPGBUIEX-FXPVBKGRSA-N	229.324	-0.154	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)C[C@H]1CO	1899577893	QKJUMXMTJOMURK-CIUDSAMLSA-N	218.684	-0.065	50	10	BBGE	
COCCSc1ccc(C=O)c(B(O)O)c1	1901275571	JCXHWYNEDOTXKX-UHFFFAOYSA-N	240.089	-0.083	50	10	BBGE	
C=C(C)CC(=O)Nc1ccc(B(O)O)cn1	1902358520	RUSVPQFHVQCTHU-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H](C)C(N)=O)C(=O)NN	1902715731	KDTWQVGTJBKVTF-OIBJUYFYSA-N	230.312	-0.802	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C(=O)CCC2=O)C1	1908357537	HXECPBOUFRSCRB-JGVFFNPUSA-N	239.275	-0.458	50	10	BBGE	
CCOC(=O)C(C#N)=C1N(C)N=C(C)N1N	1911994301	CYKYUMBXTWJAMM-UHFFFAOYSA-N	223.236	-0.261	50	10	BBGE	
CCS(=O)(=O)N(C)CCCCC(=O)NN	1913805914	NPCRPXUDHMCDDM-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(O)CC1	1927914022	PUXLFMDFFOXEQH-IONNQARKSA-N	213.281	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1928557725	YCPJHNJTBKWZRF-XKSSXDPKSA-N	213.281	-0.931	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC[C@@H](F)C1	1930622906	SJBKGEZNRLTGIY-RFZPGFLSSA-N	205.258	-0.011	50	10	BBGE	
NNC(=O)N1CC[C@@H]2OCCO[C@@H]2C1	1931634014	BEKXQAWRJNUDKH-NKWVEPMBSA-N	201.226	-0.941	50	10	BBGE	
CN(Cc1sccc1B(O)O)[S@](C)=O	1935214603	UPIBLMNTBGQQDL-AWEZNQCLSA-N	233.123	-0.847	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCC(=O)N(C)C	1935554742	RYRWEZMWGHHXBO-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936094344	MKRPNKJBTZMFRD-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCO)C1CCC1	1936095225	VDQSLXPERKWISO-WPRPVWTQSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1936235515	IVDMVYIJMHJHPI-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)C(F)(F)CC1	1937575623	DVOWQRQWNHIXMG-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@@H](C)C1(F)F	1938959463	GGHPOUIFTJFYLS-OLQVQODUSA-N	235.234	-0.274	50	10	BBGE	
COCCOC1CN(CC2(C(=O)NN)CC2)C1	1945883063	SQVCSNQNKFSYMC-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
CC(F)(F)[C@@H]1CCN(CC(=O)NN)C1	1955474920	MNMDSDPUULRDKM-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CN(C(=O)NN)[C@@H]1COCCC1(F)F	1956608727	KVGVAWCEXIWTBL-RXMQYKEDSA-N	209.196	-0.074	50	10	BBGE	
OB(O)c1cc(Cl)cnc1OC1COC1	1961696943	UDEOLGROMLASNV-UHFFFAOYSA-N	229.428	-0.808	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CCO[C@@H]1C(N)=O	1962375376	DCGMPTQITKOBRD-HAFWLYHUSA-N	234.683	-0.237	50	10	BBGE	
C[C@H](CN1CCC(F)(CO)CC1)C(=O)NN	1975530582	JSTPREGJRWXARZ-MRVPVSSYSA-N	233.287	-0.591	50	10	BBGE	
C[C@@H](CCS(C)(=O)=O)N1CC(=O)OC(=O)C1	1976872739	VROFYBJFIZOCMU-ZETCQYMHSA-N	249.288	-0.805	50	10	BBGE	
N#CC1(O)CCN(c2nc(NN)ns2)CC1	1979351580	RMOSSAMPCCLTOF-UHFFFAOYSA-N	240.292	-0.321	50	10	BBGE	
C[C@H](CN)SCc1c(C(=O)NN)cnn1C	1980593689	OVKRAIOCKALUBW-ZCFIWIBFSA-N	243.336	-0.396	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1CC1(C(=O)NN)CC1	1981192365	QWRLAWXLOOMUQN-PWJLMRLQSA-N	245.348	-0.791	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217060	PRXKXVMDPGPUIS-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]2C1	1981423312	BUZZGTWJOJRBSC-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
COCCCOc1nccc(C)c1B(O)O	1981427690	VZVAXXQURSFWLB-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
Cc1nc(N2CC3(CC3)C2)ncc1B(O)O	1981445018	BLFANDDJKWCHMM-UHFFFAOYSA-N	219.053	-0.935	50	10	BBGE	
Cc1cc(N2CC(CF)C2)ncc1B(O)O	1981469878	ZRWVCLYCHPMMAN-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
CCC(F)(F)Cn1cc(B(O)O)ccc1=O	1984101863	OVNWXVYZZKGGRW-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986730666	UDDXMUCJSIVGOU-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOCC12CCC2	1988480460	CFKYJWFNJCWLAS-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C=C(CN(C)[C@H]1CCCN(C)CC1)B(O)O	1992145940	IHONTZZMRSTRGJ-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CC(C)N(O)C(=O)c1ccccc1B(O)O	1992835628	FALTYNOWYIFTBX-UHFFFAOYSA-N	223.037	-0.394	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C)[C@@H](C)C(=O)NN)n1	1997733768	SHVBGZUKPRVBHS-RQJHMYQMSA-N	241.295	-0.176	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1CC[C@H](C(=O)NN)O1	1999420319	CYGMYGHKDSISME-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CCCNC(=O)C1CN([C@@H](C)CC(=O)NN)C1	2002654895	YNTHKVCMOBUEMW-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](C)OCc1c(C(=O)NN)cnn1C	2003505925	KSEHHRUWBYCSJM-SSDOTTSWSA-N	242.279	-0.425	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C2CC2)CC1	2003817967	NLUFPKGFWKEHTM-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N2CCCC2=O)C1	2004407031	ISPQDDIKBODKCX-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cncnc1OCCOC1CCC1	2004936048	UFEFKGMNFMDZDD-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)C[C@@H]1C[C@@H]1C(=O)NN	2007572436	GDZPVWJRRDSYCO-OGBGREFGSA-N	239.319	-0.421	50	10	BBGE	
CCCCOCCn1cccc(B(O)O)c1=O	2008839881	DJJJZUWZCXZACV-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
NNC(=O)C(F)(F)CCN(C1CC1)C1COC1	2008882710	FVVHXSDEGHNGOM-UHFFFAOYSA-N	249.261	-0.135	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1C[C@H](C)O	2013007386	XSEDUQJJIBATQS-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
CN(CC(=O)NN)Cc1cccn2nncc12	2013313640	FQHSVZAGZWSQRF-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)NC(=O)C1(C)C	2013376000	NNQUCSLRULTYCY-HTQZYQBOSA-N	242.323	-0.646	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCOC[C@@H]1F	2013731427	QOBPCCNXLJOQDH-XKNYDFJKSA-N	245.298	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C[C@H](C)F)CC1	2015814863	JCEDOMOLGBXJRQ-VHSXEESVSA-N	246.330	-0.270	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cncnc1	2020057155	RWZRLDYBVPVXOK-VIFPVBQESA-N	233.036	-0.693	50	10	BBGE	
CC[C@]12CO[C@](C(=O)NCC=CB(O)O)(C1)C2	2025056918	VRXHADPSJTVFJV-PHIMTYICSA-N	239.080	-0.370	50	10	BBGE	
OB(O)c1ccc(OCCCn2cncn2)cc1	2028721763	GOSHLTDMHIYODI-UHFFFAOYSA-N	247.063	-0.573	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC=C[C@@H](O)C1	2046612141	RGDRFNDDEFNRLS-VXGBXAGGSA-N	247.298	-0.050	50	10	BBGE	
OB(O)c1cc(OCc2cnccn2)ccc1F	2052693600	KEVCLLHZYCEBQV-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1F	2060101149	VZHKUNHHHSDCDM-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)c1ncccc1B(O)O	2073876946	IZUVALAVEACHGC-WVSHTKLVSA-N	248.091	-0.623	50	10	BBGE	
N=c1nnc(=NC[C@H]2C[C@@H]2Br)[nH][nH]1	2209173423	SUJIWMJCHHRWCW-DMTCNVIQSA-N	245.084	-0.704	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H](F)C2)c1	2212600663	FBTCHXWGFCNZID-VIFPVBQESA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1ccnc(Sc2ccnnc2)c1	2212600762	YCHONWQFBUNNRP-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C=C(CCN)CNc1cc(B(O)O)ccn1	2212611522	ALYPDLSDSGOCMQ-UHFFFAOYSA-N	221.069	-0.922	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215778340	YPOUQNMHPNCHMF-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
Cc1nn(CC2(C(=O)NN)CCCC2)c(=O)o1	2216863089	IENZZOPLIWQVLX-UHFFFAOYSA-N	240.263	-0.305	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCCC2)C[C@@H]1O	2216883306	IZJXWSFNXCHCQD-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H](O)C2)c1F	2217182438	ASUCKQAPHJQVNU-KNVOCYPGSA-N	240.043	-0.917	50	10	BBGE	
CC[C@@H](Nc1nccc(B(O)O)c1F)[C@H](C)O	2217183167	GMYRSOXORVMLSE-POYBYMJQSA-N	242.059	-0.528	50	10	BBGE	
NCCCCCCOc1ncccc1B(O)O	2217186357	JGKKHBYVKDGGJO-UHFFFAOYSA-N	238.096	-0.341	50	10	BBGE	
N[C@H]1CCC[C@@H]1COc1ncccc1B(O)O	2217186931	QNDJHHRWHHDYIL-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncccc2B(O)O)CCO1	2217203834	AXPLYTDFTFGQHO-DTWKUNHWSA-N	236.080	-0.259	50	10	BBGE	
CC1(C)OC(=O)N(CC2(C(=O)NN)CC2)C1=O	2217474991	ZDDZWQNVNCKRHJ-UHFFFAOYSA-N	241.247	-0.486	50	10	BBGE	
NC[C@@H]1CCCCN1Cc1cccc(B(O)O)c1	2220068107	ADXSHHRYISVSPQ-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
C=C[C@]1(Oc2ccc(B(O)O)cn2)CCCNC1	2223652140	BWPFUVCBNKZEAI-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
OB(O)c1ccnc(NC23CCC(CC2)OC3)c1	2223676978	ILWRTXWOVLLGPG-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
C[C@H](OCCOC(F)(F)F)C(=O)NN	2241284702	SHZYKQFXBQSECO-BYPYZUCNSA-N	216.159	-0.082	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1COC(=O)C1	2242591834	PEMJAXALLTYURX-WYPBCBNTSA-N	217.608	-0.260	50	10	BBGE	
CC1(C)C(=O)NC[C@H]1NC(=O)C=CC(=O)Cl	2243246276	YYQGHHNQINBECO-ZCFIWIBFSA-N	244.678	-0.051	50	10	BBGE	
CSCCN(C)C(=O)c1ccc(B(O)O)o1	2243349223	ICMSUZLQCUQOAD-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(B(O)O)s1	2243350378	ZYRRBTVNOZNNAD-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
Cc1ccc(O)cc1NC(=O)C#CB(O)O	2243356682	LMDLHMVJVKOQIF-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
O=C(NC1CCC(O)CC1)C1(B(O)O)CC1	2243363335	FGTBYSICSYRVIG-UHFFFAOYSA-N	227.069	-0.587	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1csnc1B(O)O	2243378044	LRWDGSZLUIMFKQ-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
O=C(NCCC1CC1)c1sncc1B(O)O	2243385757	NWYDPTFKYDIEDL-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1cc(B(O)O)cs1	2243385895	QKTIJWXWRIBJCK-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
CC/C=C\CNC(=O)c1sncc1B(O)O	2243386176	VZMLILGVEHQHHP-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
C=CCOCCNC(=O)C1CC(B(O)O)C1	2243391317	JCUYKBYCBFEYRQ-UHFFFAOYSA-N	227.069	-0.442	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243403731	BTLMXCWRLPMODQ-OCAPTIKFSA-N	226.085	-0.906	50	10	BBGE	
C[C@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243403823	DIRQYKVZSCCBQM-BGZDPUMWSA-N	226.085	-0.894	50	10	BBGE	
O=C(NCc1cnco1)[C@H]1C[C@H](B(O)O)C1	2243414647	FQUUAFRLAWLTLY-LJGSYFOKSA-N	224.025	-0.456	50	10	BBGE	
CC=CC(=O)NCc1sc(C)cc1B(O)O	2243662636	CAKXXDQPXDGQCW-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
CC1(C)C[C@]1(Cl)C(=O)NCCC#CB(O)O	2244554482	ASGPQYNXBGJSNF-JTQLQIEISA-N	243.499	-0.084	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1coc(B(O)O)c1	2247736517	WHPODRHQHXDNPR-BDAKNGLRSA-N	235.048	-0.512	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1ccoc1B(O)O	2247746781	DLDLDDUOMGGPCY-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@H]1O)C1(B(O)O)CC1	2247758053	SHHWQLWYZKDOPS-DTWKUNHWSA-N	241.096	-0.197	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786022	UOBVHTGPLVKTRW-HRDYMLBCSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H](CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2247788054	YQGMUQVPATUDOY-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
O=C(NCCCOC1CCC1)[C@@H]1C[C@@H]1B(O)O	2247807153	QBIFZJKLWQRLAD-ZJUUUORDSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2247868479	GFGVMGORLIRHMG-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
C[C@H]1COCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247892797	IADHMHKUACCBLK-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](CCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895679	UXRBMSKLXOPCFM-LPEHRKFASA-N	243.112	-0.236	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247908845	AVYAARPVIXWEPC-AEJSXWLSSA-N	242.128	-0.271	50	10	BBGE	
CC(C)[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2248587436	PJKAEUXCYLGMGD-GJMOJQLCSA-N	243.068	-0.583	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2cocc2B(O)O)C1	2249416840	XVIJMWDCDZNTIR-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cccc(B(O)O)c1	2252739102	DZSHACCIKDUCRX-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1coc(B(O)O)c1	2255454679	XSBJYTKIIANFMH-UWVGGRQHSA-N	249.075	-0.122	50	10	BBGE	
Cc1nc(NC(=O)C#CB(O)O)ccc1[N+](=O)[O-]	2255464964	DGGJMGBDSGQLHY-UHFFFAOYSA-N	248.991	-0.748	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)ccc1B(O)O	2255511927	RDZYUQWIUAKSGL-IAZYJMLFSA-N	245.087	-0.187	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255553425	YUGVNFXCHCTNJP-WRWORJQWSA-N	249.079	-0.991	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2cc(B(O)O)n[nH]2)C1	2255553963	FYAXBAITMFTIEF-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
O=C(NCCc1ccncc1)C1CC(B(O)O)C1	2255568478	MREYJQDFYKEUJF-UHFFFAOYSA-N	248.091	-0.007	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1OCc2ccccc21	2255669464	ORZZVMYBKFQOCW-NSHDSACASA-N	245.043	-0.611	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1ccccc1B(O)O	2255722663	RTFNGLFQDBZLPH-UHFFFAOYSA-N	247.059	-0.483	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC2CC1C2	2255736277	KBVOWIGBBGELNH-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3occc3B(O)O)C[C@H]21	2255737737	INVPGNMXOHTKHE-HLTSFMKQSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@H](CO)c1ccccc1)[C@H]1C[C@H]1B(O)O	2255775900	YLAMOEUECHILBR-HBNTYKKESA-N	249.075	-0.301	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ncc(B(O)O)cn1	2255777384	ZFMRYFBUMPFPDK-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
CC1=CCN(C(=O)c2ncc(C)cc2B(O)O)C1	2255788029	IPCJWERKUCMFCC-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2255793049	RGMIGBBSBCTNKH-OTSSQURYSA-N	245.047	-0.433	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC=CCC1	2257487918	SBPDOOOPJVCXFQ-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2258960584	ICOMPAZBWQYJQG-LDMBFOFVSA-N	247.103	-0.200	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CC2	2298368478	HFVNZPJDLRWDSS-VGMNWLOBSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2OCC[C@H]2C1	2298369097	IZEKEENCEAHJLY-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
COC[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375319	FJMMEDAOVPZXDS-KHQFGBGNSA-N	245.059	-0.564	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298376623	GMKBFNNIKKLDMS-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298377020	BEBAIHSJKPTKRW-UTINFBMNSA-N	239.080	-0.610	50	10	BBGE	
Cn1ccn(CCC[C@H]2C[C@H]2C(=O)NN)c1=O	2300383795	NGPNBSGNQDXBTH-DTWKUNHWSA-N	238.291	-0.407	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC=CCN	2301347108	XUSRFMPEKOQNRZ-UHFFFAOYSA-N	231.064	-0.835	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	2302018053	LZMXHAXLPOHHCP-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
Cc1nc(C)n(CCN2CC[C@@H](B(O)O)C2)n1	2303105754	PNURJNHIRHTDMJ-SNVBAGLBSA-N	238.100	-0.556	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@]2(C)COCCO2)C1	2303157014	FQEZELOYQWKPCI-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
CC[C@@](C)(CN1CCN2CC[C@H]1C2)C(=O)NN	2303427486	YVOIOCOUYIDTJG-JQWIXIFHSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3C[C@@H]3C2)ncc1F	2303847074	CGYIJJITABZYLG-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
COC[C@H](OC[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)NN	2307486367	CXCQDYYOCFQIOX-XKNYDFJKSA-N	244.291	-0.425	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1occc1B(O)O	2312857659	YSAQNSUCBKMSPS-HLTSFMKQSA-N	249.075	-0.265	50	10	BBGE	
N#Cc1cnn(-c2ccc(B(O)O)cc2C#N)c1	2317133164	RKOBRGLVCCOKQW-UHFFFAOYSA-N	238.015	-0.705	50	10	BBGE	
NC(=O)CN1CCC(NC(=O)CCl)CC1	35229181	FMYPWISYKYWNQT-UHFFFAOYSA-N	233.699	-0.709	50	10	BBGE	
CNC[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	40600795	BDJOZTPJVMFNKZ-JTQLQIEISA-N	242.323	-0.915	50	10	BBGE	
CCNC(=O)[C@@H](C)NC(=O)NC(=O)CCCl	49230938	OGIHIJOTXNMJNA-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCSC1	82467267	HQOVNOGLBHSROV-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
COCCS(=O)(=O)NC[C@@H](Cl)COC	83212697	IXSOMHXWDVQJHL-SSDOTTSWSA-N	245.728	-0.194	50	10	BBGE	
COC(=O)C[C@@H](C)SCC(=O)NNC(C)=O	85160809	UVSOYNULLDMHAT-ZCFIWIBFSA-N	248.304	-0.162	50	10	BBGE	
CCOCCN(C)C[C@@H](C)C(=O)NN	87979978	WGSORTZGWZFABZ-MRVPVSSYSA-N	203.286	-0.419	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC[C@@H]2CCCO2)O1	110554153	BRNXMQXVAOUSJO-IVZWLZJFSA-N	244.291	-0.281	50	10	BBGE	
Cn1ccc(=O)n(C[C@@H](Cl)C#N)c1=O	132592833	DRHSNVJOYUTMGJ-LURJTMIESA-N	213.624	-0.322	50	10	BBGE	
NC(=O)NCCn1cnnc1CCl	133661784	ZWICRXZTXQDNEM-UHFFFAOYSA-N	203.633	-0.315	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	156622497	VHJUNSOWANGQHB-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)CO)c1O	182772232	GHQOSNQRYQGFIL-UHFFFAOYSA-N	224.216	-0.546	50	10	BBGE	
CC[C@@H](N)C(=O)N[C@@H](CCl)C(=O)O	196543402	HXERLZWXXHEQTL-UHNVWZDZSA-N	208.645	-0.468	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1ncccn1	203222462	XTAUYNNLJYBVKF-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223071351	VXKREPXTCDZOER-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](SC[C@@H](C)CN)C(=O)NN	232421704	FLAROAFEOWVSMO-BQBZGAKWSA-N	221.326	-0.681	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cc[nH]n1	234560929	LFMJQODWSFPVKF-RXMQYKEDSA-N	231.639	-0.080	50	10	BBGE	
CNC(=O)CS[C@@H](C)CC(=O)NN	300786835	GQQAEXBKVCZEHD-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
NC(=S)NNC(=O)C1CC(F)(F)C1	307215127	AWUINNKVDYHHAC-UHFFFAOYSA-N	209.221	-0.104	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H](O)C1	307437107	UMUOOMGEAHQNPJ-JGVFFNPUSA-N	204.657	-0.190	50	10	BBGE	
CS[C@H]1CCCN(C(=O)C(=O)NN)C1	307460538	FOMLHWBIKOBARD-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
COC[C@@H](C)CN(C)CCC(=O)NN	308516756	NAXHLJJUZYNCLU-QMMMGPOBSA-N	203.286	-0.419	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccccn1	309177401	NDTHNYDJFQDPIV-UHFFFAOYSA-N	208.221	-0.938	50	10	BBGE	
N#C/C(N)=C(\C#N)NC(=O)CCC(=O)O	379700898	VCAPTVALCHLZJU-WAYWQWQTSA-N	208.177	-0.815	50	10	BBGE	
COC(=O)/C=C(/N/C=C\C#N)C(=O)OC	383919952	JAVCLDSZUCYJOR-AIJKMKQJSA-N	210.189	-0.157	50	10	BBGE	
CSCC(=O)NNC(=O)[C@@H](C)C#N	393549407	UCIMFKBDMNQQIN-YFKPBYRVSA-N	201.251	-0.344	50	10	BBGE	
COC(=O)CCc1c(F)cccc1B(O)O	396039031	IJWOAXDWGYRGHB-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
CCC(=O)c1cccc(CC(=O)O)c1B(O)O	396129096	BYLBAIBUAWELIG-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401696677	KHNOIRCBSFIMPP-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CO[C@]1(CO)CCN(C[C@@H](O)CCl)C1	401968980	JCOBHHQMWNUANU-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(C)[C@@H](CO)C1	687597742	TVEGHRRGCRLKRU-DTWKUNHWSA-N	234.727	-0.004	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C(=O)CCl	690197807	CVBNAUHHCGEYNK-SSDOTTSWSA-N	208.689	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	690710569	GDVHSGQGFKHRNV-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
Cn1ccnc1COc1cncc(B(O)O)c1	690880202	OEQKBMGVBBNTFH-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CCN(CC1CN(C)C1)[C@@H](C)[C@@H](C)C(=O)NN	692729226	XIHOLCWDXPHUAC-ZJUUUORDSA-N	242.367	-0.116	50	10	BBGE	
Cc1ncccc1Cn1ccc(B(O)O)n1	694228429	LULXWEOABYMYQT-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC2(F)F)n1	694231094	ZFMYXQPMLKYBST-RXMQYKEDSA-N	201.969	-0.782	50	10	BBGE	
CCCc1nnsc1C(=O)NCB(O)O	702018637	XJZPNJBWPRODBD-UHFFFAOYSA-N	229.070	-0.768	50	10	BBGE	
CO[C@]1(C(=O)O)CCN(C(=O)NN(C)C)C1	704132172	RKMCWPSZIOHRRO-SECBINFHSA-N	231.252	-0.652	50	10	BBGE	
C[C@@H]1N(C(=O)C(=O)NN)CCOC1(C)C	707277590	BYPKMOKVIQCBRW-LURJTMIESA-N	215.253	-0.998	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	707558255	MSEDQTWARJATIY-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	709913664	PCFKVEQYKJVTEW-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
CN(C)C[C@H](CCl)NCCn1cnnn1	712537434	DFHMVMXSQNQIJX-QMMMGPOBSA-N	232.719	-0.568	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](O)C1CCC1	828778930	IRJWPDUAHJXWJI-QMMMGPOBSA-N	229.280	-0.160	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=CCC[C@@H]2CCO2)N1	863151358	LDWGSWJPXSGGEY-RKDXNWHRSA-N	239.275	-0.064	50	10	BBGE	
O=C(NN=C[C@H](O)CO)c1ccccc1O	1084066310	XKWMFFDCQSZRHA-ZETCQYMHSA-N	224.216	-0.539	50	10	BBGE	
Cc1nnc(NNC(=O)C[C@H]2CCOC2)n1C	1118883952	ORAKAMQGHJAGHO-MRVPVSSYSA-N	239.279	-0.007	50	10	BBGE	
CN(N=Cc1nc(CO)cs1)C(N)=O	1119620442	OGCKHPKYJFJPCR-UHFFFAOYSA-N	214.250	-0.020	50	10	BBGE	
N#CSCCCNC(=O)CCc1nn[nH]n1	1139151285	LHOCHYKLKQJFNZ-UHFFFAOYSA-N	240.292	-0.147	50	10	BBGE	
O=C(NNc1ccncn1)C1=COCCO1	1298158288	QURAFNGUJJNACZ-UHFFFAOYSA-N	222.204	-0.192	50	10	BBGE	
Cc1cc(C=NNC(=O)C(=O)NC2CC2)on1	1328636542	IVOIRXGMBFJWCP-UHFFFAOYSA-N	236.231	-0.288	50	10	BBGE	
Cn1cncc1C(=O)NNc1nccn(C)c1=O	1558946200	SLPRBKNIKDTBHY-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)c1ccncc1	1587046443	RAYLLIAIHABDSW-SECBINFHSA-N	247.254	-0.119	50	10	BBGE	
COc1cccnc1C(=O)NNC(C)=O	1587587652	IFDGQQMOHFFGCC-UHFFFAOYSA-N	209.205	-0.129	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)c1ccnnc1	1626756416	UFRTVTBZMXZXOF-QMMMGPOBSA-N	238.247	-0.746	50	10	BBGE	
C#CCNC(=O)CNC[C@H]1C[C@@H]1Cl	1883552133	LQDAPRPBCORADR-SFYZADRCSA-N	200.669	-0.047	50	10	BBGE	
C=C(CN(C)CC1CSC1)B(O)O	1883741386	CKHKGULVVJYJBB-UHFFFAOYSA-N	201.100	-0.151	50	10	BBGE	
OC[C@H](O)CN1CCN(CCCl)CC1	1885043896	HRHBRSDWEDUXEM-SECBINFHSA-N	222.716	-0.804	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@H]1[C@@H](O)[C@@H](O)C2	1888323695	FKPRSSMHZXVWCN-BMLSCUAFSA-N	219.668	-0.290	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1896538539	YJYRSTGQRAUFRF-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901340832	KUHINOGGJUALGR-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](N)CC(=O)O	1901996903	DNFVNEOYKJBQBU-MRVPVSSYSA-N	231.296	-0.058	50	10	BBGE	
C[C@H]1CC2CC(CNC(=O)C(=O)NN)(C2)O1	1902485153	RKDSOQKBFHIXFU-MLMMTNJESA-N	227.264	-0.950	50	10	BBGE	
C[C@H](O[C@H](C)C(=O)O)C(=O)NN(C)C	1906804230	ZEJATWDCECEJLF-NTSWFWBYSA-N	204.226	-0.543	50	10	BBGE	
C[C@H](CCO)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	1908716000	VACHBNOJQIXUSP-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(CCC[C@H]2O)C1	1918418889	QKQUYOROTAOZIW-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2C[C@H]2C1	1927917933	YYERXVQGSYIHDT-XFWSIPNHSA-N	209.293	-0.046	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCC[S@@](C)=O)C1	1928750605	HWEWSXJCVFZRSA-HHURGBBESA-N	224.757	-0.124	50	10	BBGE	
O=C(NCB(O)O)C(F)(F)CC1CC1	1930626461	JKRKDWPMQJKHDP-UHFFFAOYSA-N	206.985	-0.450	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(CO)CC1	1936095058	SVRREOPNNOVUMG-VHSXEESVSA-N	227.308	-0.683	50	10	BBGE	
O=C(O)C[C@H](CC(=O)NNCCO)C(F)F	1937996766	JZTUZRJLQODNHI-YFKPBYRVSA-N	240.206	-0.654	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC12CCOCC2	1941087263	MFIZBUDGQVLBLO-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CCCOCCCOc1cncc(B(O)O)c1	1944151952	ZBFMLMBIYGVYMA-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951018171	JLBRRDKSIGTHGA-RCWTZXSCSA-N	241.335	-0.154	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)C[C@H]1F	1951321635	AOCWLZJQELUILV-BHNWBGBOSA-N	215.033	-0.190	50	10	BBGE	
CS(=O)(=O)c1ncc(C[C@@H](O)C#N)c(O)n1	1951975082	ZWHUZOXMKYYALE-ZCFIWIBFSA-N	243.244	-0.987	50	10	BBGE	
N#C[C@H](O)[C@@H](N)[C@@H](CO)c1ccccc1	1952821833	SRXMDXIFKIUGIH-DCAQKATOSA-N	206.245	-0.026	50	10	BBGE	
Cn1cc([C@H](N)C(=O)CBr)nn1	1953366710	ZBFUHTSIICCNJI-LURJTMIESA-N	233.069	-0.221	50	10	BBGE	
O=C(NCB(O)O)c1cc(Cl)ns1	1953854292	ZCXICVPBRWSEMM-UHFFFAOYSA-N	220.446	-0.462	50	10	BBGE	
C[C@@H]1CCN(C[C@@H](O)CCl)[C@H]1C(N)=O	1956256447	OERDYNLXRZRNAU-GJMOJQLCSA-N	220.700	-0.218	50	10	BBGE	
CON1CC[C@@H](NS(=O)(=O)CCCl)C1	1956988246	VPYSKMJUXAESDR-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
C#CCC[C@@H](NC(=O)NN(C)C)C(=O)O	1958362155	FPEUXCRCVFNKOO-SSDOTTSWSA-N	213.237	-0.371	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)CC(=O)NN)CCO1	1959102583	IIZDUSMZJZBIJE-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)C[C@@H]1CC[C@H]1NC(=O)C(=O)NN	1959176199	JARFBCAWXHOHMQ-JGVFFNPUSA-N	213.281	-0.083	50	10	BBGE	
CCCCN(C)c1ccncc1B(O)O	1961695399	CSUAGTTVKMUWPN-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
CC(C)[C@@H](OC[C@@H](C)N(C)C)C(=O)NN	1974648955	UOQPQZQITHAULA-RKDXNWHRSA-N	217.313	-0.032	50	10	BBGE	
CC[S@](=O)N[C@@H](C)c1cc(B(O)O)cs1	1974922975	NLECBEYPCLRUJO-XHLQUELWSA-N	247.150	-0.238	50	10	BBGE	
CC(C)c1cnc(CNC(=O)C(=O)NN)o1	1976804960	LCHIGMMLRPZYBE-UHFFFAOYSA-N	226.236	-0.596	50	10	BBGE	
OB(O)c1cnn(C2C[C@@H]3[C@@H](C2)C3(F)F)c1	1978366297	KOWBNCSEJIECLD-HTQZYQBOSA-N	228.007	-0.221	50	10	BBGE	
O=C1N[C@H]2CN(CC=CCCl)C[C@@H]2NC1=O	1979506957	AHCOTOKLESZBBT-YUMQZZPRSA-N	243.694	-0.920	50	10	BBGE	
NNC(=O)CN1CC[C@@H](CN2CCCC2)C1	1980790905	KKFYPOWNPPOOAB-JTQLQIEISA-N	226.324	-0.606	50	10	BBGE	
CCN(CCSC)c1ncccc1B(O)O	1981422194	LGZUZPIMRCMODF-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)CCOC1	1981430873	SSVBBJIJHSUZSQ-JTQLQIEISA-N	223.037	-0.681	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@H]1CF	1985767804	RFKPWEKBXSASNK-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CC(C)[C@@H](OCCn1cncn1)C(=O)NN	1986444895	HHHZRSBZSAXCCR-MRVPVSSYSA-N	227.268	-0.691	50	10	BBGE	
C[C@]1(c2cccc(B(O)O)c2)COC(=O)N1	1986905402	RGLUUWQEXCFWJY-SNVBAGLBSA-N	221.021	-0.679	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(CCO)C1)C(=O)NN	1987907810	RAYXSTXWHSCMAL-ONGXEEELSA-N	229.324	-0.293	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](CO)C[C@H]1CO	1991706591	RDWRLUCPCHYHRK-FLPBZWPXSA-N	247.678	-0.490	50	10	BBGE	
C=C(CN(CCOC)[C@@H]1CCOC1)B(O)O	1992168150	WEFSPJBKYHNTHC-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@]1(C)CC(=O)N1	1994950054	QSMOKQZYCVDORD-ANLVUFKYSA-N	247.682	-0.282	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCOCCOCC1	1997203195	MFMZTCAOJUNOJZ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CC1(C)[C@@H](N)[C@@H]1C(=O)N1CCC(O)(C#N)CC1	1998074877	FHAYKDFCQRQERD-BDAKNGLRSA-N	237.303	-0.153	50	10	BBGE	
CON(Cc1nn(C)cc1C(=O)NN)C(C)C	2003506158	OWXXSKATKNIWID-UHFFFAOYSA-N	241.295	-0.205	50	10	BBGE	
C[C@@H](CN(C)c1ncncc1B(O)O)C1CC1	2004916998	SOMNHQXOIDCUFO-QMMMGPOBSA-N	235.096	-0.361	50	10	BBGE	
Cc1nc(N2CC(C(F)F)C2)ccc1B(O)O	2005014932	SXICJLMDFXGUCI-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
COC[C@@H](C)CCOc1ncccc1B(O)O	2014223180	BIIYQTHDNDIXFV-VIFPVBQESA-N	239.080	-0.187	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C(C)C	2014230221	FPQLTHPRRNJWPX-VWYCJHECSA-N	240.351	-0.078	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]1C1CC1	2014916666	DGBIJOLBZRERAG-SNVBAGLBSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020068028	NKZVAXJXIHLMTP-WEDXCCLWSA-N	239.080	-0.514	50	10	BBGE	
COc1cccc(C(=O)NCC#CB(O)O)c1	2021164136	CQIGSYMIKKZGOO-UHFFFAOYSA-N	233.032	-0.560	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]2C2CC2)c1B(O)O	2052557786	ATLYQENNPGNNRO-JTQLQIEISA-N	247.107	-0.156	50	10	BBGE	
CNCc1c(N2CCC(O)(C#N)CC2)ncn1C	2054948049	OYTFWKYAACBIKW-UHFFFAOYSA-N	249.318	-0.006	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CC2(COC2)C1	2061774871	KVISUDQJDUZTBL-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccc(B(O)O)cc1	2079010322	OSBHBZUPSPOCRZ-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
OB(O)c1cnc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c(F)c1	2086989890	INFDWTHTNIQHGO-FNCVBFRFSA-N	249.050	-0.066	50	10	BBGE	
N=c1nnc(=NC[C@H]2C[C@H]2Br)[nH][nH]1	2209173424	SUJIWMJCHHRWCW-QWWZWVQMSA-N	245.084	-0.704	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)C[C@@H](F)C1	2210694602	HDXGBARWCXUFKB-RKDXNWHRSA-N	233.287	-0.449	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCSC2)c1	2212609985	AJQAZYWACDYYKX-MRVPVSSYSA-N	238.121	-0.074	50	10	BBGE	
NC1(CCOc2ccc(B(O)O)cn2)CC1	2212612114	GOMPIURTDGFQIU-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
C[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CO1	2212612743	OBCBUZQFBYQCSJ-IONNQARKSA-N	223.037	-0.682	50	10	BBGE	
CN(CC1(C)CC1)c1cc(B(O)O)ccn1	2212615874	WAAXEGTYOIKUPQ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
COC[C@H](OC[C@H]1CCCN(C)C1)C(=O)NN	2214885698	FUBDICMWHULSCW-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
Cc1ccnn(CC2(C(=O)NN)CCC2)c1=O	2216490797	JMPGGFBBKLUVBP-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@@H]3C2=O)CCC1	2216529262	BIXHGFVWYOPGOT-BQBZGAKWSA-N	237.259	-0.849	50	10	BBGE	
C[C@H](CO)N(C)CC1(C(=O)NN)CCOCC1	2216870767	LFVSSZKWBUAIDA-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
OCC1(Nc2ncccc2B(O)O)CCCC1	2217177294	HPPZVHJTANWVAQ-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCO[C@@H]32)nc1	2217182223	AQGMXYDMJBGIGE-NGZCFLSTSA-N	234.064	-0.792	50	10	BBGE	
Cc1cnc(NC[C@H](N)C2CC2)cc1B(O)O	2217182480	BELZUMLYZHPUCN-JTQLQIEISA-N	235.096	-0.781	50	10	BBGE	
C#CC[C@@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2217183975	PFIGHLDCQCJFMW-SECBINFHSA-N	232.092	-0.437	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@H]3C[C@@H]2C3)ncc1B(O)O	2222317872	XIYWBGIRWWOYOJ-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
CCNC1CCN(c2ncccc2B(O)O)CC1	2223639922	HXCPEMIARWQQKZ-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N2CCCC[C@@H](N)C2)cc1B(O)O	2223646198	HPTONMFQEINWQA-SNVBAGLBSA-N	249.123	-0.613	50	10	BBGE	
NC[C@@H]1CCCCN(c2ncccc2B(O)O)C1	2223666957	OXZVHVWTFYAITA-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)c1cc(B(O)O)ccn1	2223667719	RLMBMLMUAKGWIZ-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
CC1(C)CNCC[C@@H]1Nc1ccc(B(O)O)cn1	2223669660	MMYLBCIOPMPKJY-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
NC(=O)c1cc(F)c(B(O)O)cc1Cl	2241489149	AESIQMFWOFENCG-UHFFFAOYSA-N	217.392	-0.742	50	10	BBGE	
CC(C)(F)C(=O)NCCC#CB(O)O	2241907669	GWGUWQQNIUVNQZ-UHFFFAOYSA-N	201.006	-0.744	50	10	BBGE	
N[C@H](CN[C@H]1C[C@H](Br)C1)C(=O)O	2242411501	CLVUUIPOTNSSND-HSUXUTPPSA-N	237.097	-0.086	50	10	BBGE	
OB(O)c1ccc(COCF)c(F)c1	2242481640	LMKSAMGVGBIHMN-UHFFFAOYSA-N	201.965	-0.051	50	10	BBGE	
C=C(COc1cc(B(O)O)cnc1C)OC	2242866825	PLNPAGQXQMXGCQ-UHFFFAOYSA-N	223.037	-0.391	50	10	BBGE	
CCn1c(=O)cc(O)n(C[C@H](O)CCl)c1=O	2243088194	LMZBLJPZHFTGKU-ZCFIWIBFSA-N	248.666	-0.665	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccoc1B(O)O	2243349004	DBVPUFXTQPKJQI-SSDOTTSWSA-N	221.021	-0.758	50	10	BBGE	
C[C@@H](CCN(C)C(=O)C#CB(O)O)C(F)F	2243362315	PHJHXOPRIJMSQB-ZETCQYMHSA-N	233.023	-0.249	50	10	BBGE	
O=C(NC1CCS(=O)CC1)C1(B(O)O)CC1	2243364957	FTRLEKHWRNGPBQ-UHFFFAOYSA-N	245.109	-0.979	50	10	BBGE	
COCCNC(=O)c1cc(C)c(B(O)O)s1	2243375549	VLCNFPXDIMFHJA-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
C=C(CO)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383522	ZEJJAWDTCYKNHM-DTORHVGOSA-N	227.069	-0.706	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243401587	UFEXBKHTALCXOE-RQJHMYQMSA-N	231.007	-0.591	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC(C)(C)C	2243408433	NBTUFCOXYOEPNP-UHFFFAOYSA-N	224.069	-0.767	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1coc(B(O)O)c1	2243409694	NAIWBWDRIOJIAM-ZETCQYMHSA-N	223.037	-0.512	50	10	BBGE	
Cc1nnc(CNC(=O)C2(B(O)O)CC2)s1	2243411085	NKYUHOCCEQCNMR-UHFFFAOYSA-N	241.081	-0.530	50	10	BBGE	
CCONC(=O)c1ccc(Cl)c(B(O)O)c1	2243412790	STYNRLGKACRUJL-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
CC1(NC(=O)c2sncc2B(O)O)CCC1	2243415056	NJMSFNUQFFSHMV-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CCN(C[C@H](C)OC)C(=O)[C@H]1C[C@@H]1B(O)O	2243426747	LHNNTZJTSANKDS-CIUDSAMLSA-N	229.085	-0.267	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)COC1	2243427475	WHMWLCNWFGLMGS-ZKCHVHJHSA-N	227.069	-0.608	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2CC[C@H]2C1=O	2243496877	IQVUMCWZLMXEJF-RNFRBKRXSA-N	225.248	-0.849	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2243756720	WRSLDHIBDJMTJP-VTSJMVTISA-N	229.041	-0.924	50	10	BBGE	
N#CC1(O)CCN(C2[C@H]3CNC[C@H]2C3)CC1	2244295259	SKIQGZYSNGUXJI-NXEZZACHSA-N	221.304	-0.055	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)oc2C)C1	2247732240	DNCGDHZZJSVLMW-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247735243	XTHRIQLLRREIOB-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2247743127	ZGCKWZSSJLQFDO-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)C1(B(O)O)CCC1	2247756598	OEUSWAUOFPTVOX-JTQLQIEISA-N	242.128	-0.127	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(F)cc1B(O)O	2247759382	PJVMXLHQLZBCLX-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
C[C@H](CF)NC(=O)c1ccc(F)cc1B(O)O	2247759512	RSEUUQORGWBBHB-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cncc(B(O)O)c1	2247774887	DQJNYKXIUJTYHZ-SECBINFHSA-N	232.048	-0.956	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247787222	MGGGXSCKULMYFL-KGDYZURWSA-N	241.096	-0.221	50	10	BBGE	
CN(c1nccn1C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798344	SNWIWKJZMYVTPN-ZKCHVHJHSA-N	237.068	-0.364	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C	2247800575	QGLFSQKJAHJTSV-UTLUCORTSA-N	242.128	-0.448	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@@H]1CN	2247810215	VRFVOZASWJOWBD-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)C12CCC2	2247810695	ZJDNOFFCNDKDCU-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)ccc1C	2247874732	SVEMOINAPKEAES-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)nn1C	2247886428	BNWOZBPNVXIBRZ-IUCAKERBSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCCOC2)[C@H]1C[C@H]1B(O)O	2247887133	KQPVRURCOQVETE-SJQPAMGKSA-N	239.080	-0.465	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCCNC1	2247894115	CMOJSGOILOILFL-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247898033	ZTJZSAHRIUJWAN-APPZFPTMSA-N	237.068	-0.494	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2247898852	IDNYIBLAYXQGCL-RXKWGBCNSA-N	240.112	-0.553	50	10	BBGE	
CC1(OCc2cncc(C(=O)NN)c2)COC1	2250805118	WSCZQGZHYHZNIW-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1coc(B(O)O)c1	2255453249	PHCQTAFISCEQQD-OYJQVNGESA-N	247.059	-0.656	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1cccnc1	2255455588	BPEHIEGZJIOTTM-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(B(O)O)o1	2255461418	HPMUZDGEXIWEAU-LMJCNIAPSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCC2(CC2)C1	2255464072	RBAKHRPCPMBEKX-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2255502262	GGQOAHDHEZLSEI-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)cn1CC	2255513597	UMCTUCNJCIJLIH-VIFPVBQESA-N	248.091	-0.813	50	10	BBGE	
O=C(N[C@@H](CO)c1ccccc1)[C@@H]1C[C@H]1B(O)O	2255569702	YLAMOEUECHILBR-MXWKQRLJSA-N	249.075	-0.301	50	10	BBGE	
CN(Cc1cccc(C#N)c1)C(=O)C#CB(O)O	2255679333	GPFGYIFFKSWVCV-UHFFFAOYSA-N	242.043	-0.468	50	10	BBGE	
O=C(NCc1ccco1)c1ccncc1B(O)O	2255728821	MGLHBMJTHXBGSN-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccncc1B(O)O	2255731294	CZFPMNSRJBFFTB-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2C2CC2)oc1B(O)O	2255779982	OROQCCKSENLODJ-IUCAKERBSA-N	249.075	-0.204	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1O	2256015477	VMRADGGABZEFPC-MRVPVSSYSA-N	247.059	-0.929	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H]3C2(C)C)n1	2257072609	WAOSFBVIIWGREE-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CCCC[C@@H]21	2258136747	NGNZPXFRDWQMSO-KWQFWETISA-N	249.075	-0.026	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N[C@@H]1C=CCC1	2258668513	QSJUUBFJOVGPIT-SECBINFHSA-N	247.063	-0.399	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369755	DNXMYLYJRUTUDE-QCBRBAQYSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCCO2)C1	2298370444	YOMHOPDQUPABOB-NGZCFLSTSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)C[C@@H]1O	2298371319	HSERVLJOYFCQQO-IGORNWKESA-N	241.096	-0.533	50	10	BBGE	
CC[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298376050	FVDPFVULXZEWOR-OPRDCNLKSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)CNC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377248	JRWRFKIBMYYVEG-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298377415	PYIQKFIEQLHQTM-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)CCCCCCN1C(=O)COC1=O	2300628921	ZSFADMDSGDYPCE-UHFFFAOYSA-N	243.263	-0.094	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(N)CC1	2301346216	OKUKTHPSDHXQBS-UHFFFAOYSA-N	231.064	-0.859	50	10	BBGE	
C#CCN(OC)c1ccc(C=O)c(B(O)O)c1	2301419231	LYNKBNQNYLYQSC-UHFFFAOYSA-N	233.032	-0.820	50	10	BBGE	
C[C@H]1CN([C@@H](C)CCCC(=O)NN)CC(=O)N1	2302024523	VPLGOXQRWFQHGT-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2OC[C@H]3CCO[C@H]23)C1	2303103925	GNQNZUBWWOASIF-ZNSHCXBVSA-N	241.096	-0.661	50	10	BBGE	
CC[C@](C)(Cn1cc(C(N)=O)cn1)C(=O)NN	2303431946	OOVUQEZMDRFZJZ-SNVBAGLBSA-N	239.279	-0.612	50	10	BBGE	
CC[C@H]1C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847871	PPPIDUSRUKCDCF-YUMQZZPRSA-N	238.071	-0.220	50	10	BBGE	
N#CC1(O)CCN([C@@]2(C(=O)O)CC[C@@H]2N)CC1	2305449260	XZWMAPNMZIIMPH-KWQFWETISA-N	239.275	-0.719	50	10	BBGE	
CCN1CCCN(CC2(C(=O)NN)CC2)C1=O	2307777659	DDVSEHCJDQYCEX-UHFFFAOYSA-N	240.307	-0.096	50	10	BBGE	
CN(C)CCCNc1ccc(B(O)O)cc1C#N	2317163912	SPMRKDYQXYVCQR-UHFFFAOYSA-N	247.107	-0.398	50	10	BBGE	
C=C1C[C@H]1C(=O)N1CCc2ccc(B(O)O)cc21	2319324063	SUMOUGIXRCSUCN-LLVKDONJSA-N	243.071	-0.168	50	10	BBGE	
N[C@@](CCl)(Cc1cnc[nH]1)C(=O)O	31520176	HLKHGMWYAADBPJ-SSDOTTSWSA-N	203.629	-0.027	50	10	BBGE	
COC(=O)[C@H](C)S(=O)(=O)NCCCl	42537484	LLHBGKREROCFLS-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
CCNC(=O)[C@@H](C)NC(=O)NC(=O)CCl	49230922	KUBLIZQYMBCVJQ-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H](CO)C1	82465828	LBZHTPJSNQJBKG-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
CC(C)N(CCCO)[C@@H](C)CC(=O)NN	82470877	KYASNXPEHHGKMC-VIFPVBQESA-N	217.313	-0.152	50	10	BBGE	
CCN(CC(=O)NC)S(=O)(=O)CCl	82511923	RMHHQDLZHUONKZ-UHFFFAOYSA-N	228.701	-0.420	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@H]1C(N)=O	132563076	NBNWMBDGIDNYKV-RQJHMYQMSA-N	217.656	-0.697	50	10	BBGE	
O=C(Oc1cccc(B(O)O)c1)c1cccnc1	196106957	OVJZKQHRGDYZIT-UHFFFAOYSA-N	243.027	-0.019	50	10	BBGE	
C[C@H]1CCCCN1c1cnc(B(O)O)cn1	198083524	TWEZIKNWKONLHL-QMMMGPOBSA-N	221.069	-0.465	50	10	BBGE	
OB(O)c1cccc([C@H]2CNCCO2)c1	204434337	TUXWPPAJNHEARB-SNVBAGLBSA-N	207.038	-0.973	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC(C)(C)O1	216326936	SYBFJZRAYAUTRO-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\N(C=O)CCCN	216976382	WBPWJIVMRFAKOA-NTMALXAHSA-N	238.291	-0.273	50	10	BBGE	
CN/C=C(/C#N)C(=O)NCCN1CCOCC1	217260672	WGEZVXYXUHVRRP-KTKRTIGZSA-N	238.291	-0.938	50	10	BBGE	
OB(O)c1cnc(C(F)(F)F)c(O)c1	238632445	RKDAUIZPZABDBZ-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
N#CCC(=O)NNC(=O)c1ccccc1N	238638866	ZHTKWHDHLAYXJO-UHFFFAOYSA-N	218.216	-0.057	50	10	BBGE	
O[B-](O)(O)c1ncc(Cl)cc1Cl	238850436	BOLYZCZGNFXQGE-UHFFFAOYSA-N	208.817	-0.489	50	10	BBGE	
COC(=O)[C@@H]1CSCC1=NNC(N)=O	308335572	NPMSYBINGRBHIN-SCSAIBSYSA-N	217.250	-0.453	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1CCO	308788440	CCTJDLZERMXYRB-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
NCCCC(=O)NNC(=O)c1cccnc1	309522624	BISNMPYPESUDGT-UHFFFAOYSA-N	222.248	-0.419	50	10	BBGE	
CCS(=O)(CC)=NC(=O)C(=O)NN	379345229	SKORRPFSGSSWGT-UHFFFAOYSA-N	207.255	-0.989	50	10	BBGE	
CCCN(CC(N)=O)C(=O)NC(=O)CCl	393739474	UCRXTAKGVZYMPQ-UHFFFAOYSA-N	235.671	-0.341	50	10	BBGE	
CC(C)(CCn1cc(C(N)=O)cn1)C(=O)NN	395602260	CSQDWUCWFRHGLR-UHFFFAOYSA-N	239.279	-0.612	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(B(O)O)c(O)c1	396025218	TWVCAVVJKGVWMB-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
CC(=O)Cc1ccc(/C=C/C(=O)O)c(B(O)O)c1	396141270	YYSIGKJDDOIPKV-SNAWJCMRSA-N	248.043	-0.404	50	10	BBGE	
N#Cc1csc2ccc(B(O)O)c(CO)c12	396217368	IDGJFOJCVPMQND-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC(C)C[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396499604	VBLTXZHEKSSRDL-RYUDHWBXSA-N	237.108	-0.227	50	10	BBGE	
C[C@@H]1CCN(Cc2cc(C(=O)NN)no2)C1=O	399639584	XCCYHFMXJVXTEY-ZCFIWIBFSA-N	238.247	-0.354	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccco1	404974713	ABFQONDSILBUKA-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CN(C)C(=O)N(C)Cc1ccc(B(O)O)cc1	405154480	VFPFHGOGZWEISS-UHFFFAOYSA-N	236.080	-0.520	50	10	BBGE	
O=C(O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1	585078848	NRABZVOSPMSZOO-MRVPVSSYSA-N	236.036	-0.167	50	10	BBGE	
C[C@H](C1CNC1)N1CCC(O)(C#N)CC1	686261990	CFHUWOQVNGTVFU-SECBINFHSA-N	209.293	-0.055	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]([C@H](C)O)C1	688957730	IDLHNICZBDZDRM-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCC[C@H]1O	689816566	MOVIJKWBFZQYLR-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cccnn1	700700583	QCNRCQQIXUFACK-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
C[C@@H]([C@H]1CCCCO1)N(C)CC(=O)NN	706011192	SYDNTDNZERBGKC-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H]21	706938009	LLWLDXVQZBWTTL-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](C)CC1	720468999	AHTLXDIUHADSLP-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
O=CC1=CC[C](N2C[C@@H](O)[C@H](CO)C2)S1	725543000	OPQSIEYJIORYIJ-IONNQARKSA-N	228.293	-0.019	50	10	BBGE	
ClCC1(Nc2ncnc3c2=NCN=3)CC1	725573499	QLHQUCUDNVDEAQ-UHFFFAOYSA-N	223.667	-0.130	50	10	BBGE	
C#CCNC(=S)NNC(=O)Cc1ccccn1	758231294	XDPYZJRJVJLBJO-UHFFFAOYSA-N	248.311	-0.247	50	10	BBGE	
CN(NC(=O)c1cc2n(n1)CCCC2)C(N)=O	1295200004	BSPKLZMLTRDDFP-UHFFFAOYSA-N	237.263	-0.125	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1CCC(=O)O1	1335466855	TYSDZSZIJSMCAF-ZCFIWIBFSA-N	214.221	-0.505	50	10	BBGE	
CN(C)C(=O)OCOc1ccc(B(O)O)cc1	1339835029	HZVBHLRHSPCMKA-UHFFFAOYSA-N	239.036	-0.599	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1cccnn1	1438920627	LQMCXZYWOKQKEY-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2cc[nH]n2)o1	1584326874	KCBKWNNORVFUKG-UHFFFAOYSA-N	245.198	-0.051	50	10	BBGE	
CCCNC(=O)NNC(=O)Cn1ccnc1C	1597915357	OEBUGZGQQSGGDO-UHFFFAOYSA-N	239.279	-0.068	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(C)[C@@H](C)CO	1631070585	JFFFPTYEISFMJP-VIFPVBQESA-N	244.291	-0.160	50	10	BBGE	
CCOC(=O)C(C)(C)C(=O)NNc1nc[nH]n1	1641624317	SGZLHVSJMGGIBZ-UHFFFAOYSA-N	241.251	-0.163	50	10	BBGE	
O[C@@H]1CN=C(NC2CC(Br)C2)NC1	1882558672	KLVFBICRHUCJDD-UHFFFAOYSA-N	248.124	-0.178	50	10	BBGE	
O=C(Cl)C=CC(=O)Nn1cnnc1	1883626385	FYRMFGZJBFUJBG-UHFFFAOYSA-N	200.585	-0.330	50	10	BBGE	
O=C1N[C@H]2CN(S(=O)(=O)CCl)C[C@H]2O1	1884551284	PKQPPHVRYRVMNY-CRCLSJGQSA-N	240.668	-0.695	50	10	BBGE	
C[C@H](CN(C)[C@H]1C[C@H](O)C1)C(=O)NN	1885274713	NZSCFLIOKAGJML-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
O=C(F)OCC[C@@H]1CNCCS1(=O)=O	1887173063	HPFAPABUINFQND-ZCFIWIBFSA-N	225.241	-0.131	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1CC(=O)NN	1887202035	PMAXFXDQVDFSEI-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@H]2COC[C@@H]21	1887850452	NVUVCRPKNSEDMT-CIUDSAMLSA-N	215.684	-0.210	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1CCC(=O)NN	1888653111	XXBVLZBZJGEHNI-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(O)CC1	1889128501	ACDAAUNHLFYLHW-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CC(C)CN(CC(=O)NN)C1COC1	1890834304	WSFSFYMPRPJKAL-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
O=C(CCNCCO)NC[C@H]1C[C@@H]1Cl	1891641685	BGAOIFXAURCZAB-SFYZADRCSA-N	220.700	-0.298	50	10	BBGE	
N#CCNC(=O)C(=O)NC[C@H]1C[C@H]1Cl	1893089449	UKBMXVNIYZLGJU-PHDIDXHHSA-N	215.640	-0.630	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1893460648	HUSRJKUPUJOUAY-ZLUOBGJFSA-N	221.640	-0.736	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1ccc(B(O)O)cn1	1896345241	VJPMLBUXWGVDGD-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3COC[C@H]32)n1	1897316853	ZHSBRWWPPQIGAQ-RNFRBKRXSA-N	240.093	-0.952	50	10	BBGE	
CN(NC(=O)C12CCC(CC1)N2)S(C)(=O)=O	1901340077	YFJVGTROGXINGI-UHFFFAOYSA-N	247.320	-0.806	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2OC	1901880134	VEWGMFIAYQGNQH-RGOKHQFPSA-N	227.308	-0.136	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CCOC2)C1	1902511329	HBDVGLDEGQERTC-WPRPVWTQSA-N	227.069	-0.512	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC2(CSC2)C1	1905320033	WRNXJELYZWBXPD-UHFFFAOYSA-N	239.105	-0.644	50	10	BBGE	
COC[C@@]1(C)CC(=O)N([C@@H](C)CC(=O)NN)C1	1906948446	PGUYKDAZARWHKR-KWQFWETISA-N	243.307	-0.360	50	10	BBGE	
N#CCN(CC#N)C[C@H]1CC[C@@H](C(=O)NN)C1	1908363725	FGODIFLBMSFUBQ-VHSXEESVSA-N	235.291	-0.258	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@H]2C)ncc1B(O)O	1909570309	FNZWNKYTSICZMI-VXNVDRBHSA-N	235.096	-0.443	50	10	BBGE	
COC[C@]12C[C@H]1CN(CC(=O)NNC(C)=O)C2	1909984202	UENQLXXECNPVGG-GXSJLCMTSA-N	241.291	-0.878	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)N2CCC(O)(C#N)CC2)N1	1912838165	YUAZRWLBHMQJIJ-IUCAKERBSA-N	223.276	-0.386	50	10	BBGE	
CCS(=O)(CC)=N[C@H](COC)C(=O)NN	1913893274	HPCGDSPEHMPPKV-SSDOTTSWSA-N	237.325	-0.501	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)[C@H]1C	1914344357	UMXXJKQYBAMIEO-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C(CO)[C@H]2C1	1929055324	SSZFYHQZQVTSDT-WDSKDSINSA-N	225.697	-0.317	50	10	BBGE	
CCc1onc(C)c1C(=O)NNCCO	1929834961	KSHYVCXLSJFCLR-UHFFFAOYSA-N	213.237	-0.228	50	10	BBGE	
C#C[C@@H]1CCCCN1CC(=O)NNC(C)=O	1936516692	DPOUWVKQMNXFLD-SNVBAGLBSA-N	223.276	-0.359	50	10	BBGE	
N=c1ccc(SCCOCC(=O)NN)c[nH]1	1936525444	FMZVRNJDBINYSB-UHFFFAOYSA-N	242.304	-0.407	50	10	BBGE	
CC(=O)c1cnn(CC2(C(=O)NN)CC2)c1	1938259419	NOYXUEGFYQAJOF-UHFFFAOYSA-N	222.248	-0.144	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1940886852	GMEAHKVVIKINAW-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941093193	OPWJREWDELHUHJ-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
COC[C@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	1946461171	WBJUDQUBNNXAOQ-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
CCO[C@H]1CCCCC[C@@H]1NC(=O)C(=O)NN	1948565100	ZHXLWEJVJGXIOP-IUCAKERBSA-N	243.307	-0.170	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H]1CCCO1	1951073593	UNCIHWDZVFVCCT-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H](CO)[C@H](C)O	1954186455	UUPHSLLDTCDZEC-RRKCRQDMSA-N	209.673	-0.138	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@H]2COC[C@H]21	1955240624	OWHMNYPLXBFHRP-MAUMQABQSA-N	216.668	-0.191	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(CF)C1	1955351678	QQRAXCUXMCXRSE-JGVFFNPUSA-N	201.245	-0.486	50	10	BBGE	
CCCN(C(=O)NN)[C@@H]1CCCNC1=O	1961465676	FRDHCWLNTQIEJG-SSDOTTSWSA-N	214.269	-0.440	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@@H]1C	1961695813	JOHOTDGDUHXIGJ-JGVFFNPUSA-N	206.054	-0.394	50	10	BBGE	
CCOCCN(C)c1nc(B(O)O)cs1	1961717983	ISYGGUYRYPIJEC-UHFFFAOYSA-N	230.098	-0.704	50	10	BBGE	
O=C([C@@H]1C[C@]12CCOC2)N1CC[C@@H](B(O)O)C1	1972412821	KRRUMPHYCRDHFT-YWVKMMECSA-N	239.080	-0.512	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@]2(CNC(=O)N2)C1	1974909081	PQIBDRDVNABMOI-APPZFPTMSA-N	228.683	-0.125	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CC[C@@H](Cl)C1	1975022776	CDBGEOONZHJJDM-RNFRBKRXSA-N	229.671	-0.051	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NNCCO)(CO1)C2	1975088848	NWFONEOKNRFJMR-UWVGGRQHSA-N	214.265	-0.441	50	10	BBGE	
NNC(=O)CCCCN1CC([C@@H](F)CO)C1	1979542537	HSMAMSYLYDIDLD-VIFPVBQESA-N	233.287	-0.591	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982263902	DZBCSYMAGPWJLK-DOLQZWNJSA-N	227.308	-0.421	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1[C@H](C)O	1990042050	ZTHUGICCZFMSJJ-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CN=c1nc(OC)[nH]c(=NC[C@H]2C[C@@H]2Cl)[nH]1	1991455539	LUYHLJRJHBZWBI-RITPCOANSA-N	243.698	-0.195	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@]1(CO)CCCNC1	1991663579	VYTACHNWWKIPTA-SNVBAGLBSA-N	246.694	-0.461	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@@H]2CCCO[C@H]21)B(O)O	1992145699	NORBDIPKAFVKJS-HBNTYKKESA-N	225.097	-0.089	50	10	BBGE	
C=CCN(C)C(=O)c1ccccc1B(O)O	1992837514	ZGONAGUJRXYEHC-UHFFFAOYSA-N	219.049	-0.376	50	10	BBGE	
NNC(=O)CCCCSCCOC1CNC1	1993410112	BXCXKMJKLVNSGH-UHFFFAOYSA-N	247.364	-0.132	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]21	1993438658	UVKBKTJKKZWTKA-KPCSLPGQSA-N	242.662	-0.502	50	10	BBGE	
C[C@H](CN1CC2(CC(N(C)C)C2)C1)C(=O)NN	2000466806	RVKMRZIQOVOMIR-SECBINFHSA-N	240.351	-0.362	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@]3(C)C2)ncc1B(O)O	2005017151	AJVRAZUIAMMWLG-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
CC1(O)CN(Cc2ccc(C(=O)NN)nc2)C1	2007735900	PBWGZDBTBVLTBE-UHFFFAOYSA-N	236.275	-0.748	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C[C@H](C)C[C@@H]2C1	2010600883	QADJPAHFTGUNSN-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC[C@@H](CO)C2)C1	2010836148	WZFFHQHRTOJQLW-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
C=C1CC(C(=O)Nc2ncccc2B(O)O)C1	2011094228	TZFNYECYPLJCMQ-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@]12C[C@@H](CF)C2	2011139313	NLVKHPQLNVNHMI-QXEWZRGKSA-N	245.298	-0.185	50	10	BBGE	
C[C@H](O)C[C@@H]1COCCN1CCCC(=O)NN	2013007717	ZLALGMWIDZWFEF-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1CCOCC1	2020058382	YMUYJEMQSQZLDB-SNVBAGLBSA-N	239.080	-0.370	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C(F)(F)C12CCC2	2021157379	LHRHXAWLZFVAQM-SSDOTTSWSA-N	243.018	-0.447	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cccc(B(O)O)c1	2022201126	YROZALSQHVMHET-URLYPYJESA-N	231.060	-0.495	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)NC1CCCC1	2040765068	LOUZLWWKYUOXIY-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
NNC(=O)c1cccc(CN2CC=C[C@H](O)C2)n1	2046611212	LEBANWFOYSSSRF-JTQLQIEISA-N	248.286	-0.582	50	10	BBGE	
CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ncc(B(O)O)cn1	2052473834	XTGWWJRXNPELBN-ILWJIGKKSA-N	247.107	-0.361	50	10	BBGE	
Cc1nc(N2C[C@H]3CCCC[C@H]32)ncc1B(O)O	2052552950	AEFFTGXJPWWDHR-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
COc1nc(N2CC3CC2(C)C3)ncc1B(O)O	2052622177	QMPZWRSCZXNWEV-UHFFFAOYSA-N	249.079	-0.846	50	10	BBGE	
COC[C@@]1(C)CCN1Cc1cccc(B(O)O)c1	2055906450	ZUPXYONABOOJPN-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)C1COC1	2056443753	HRAKPKLPJYNASU-UHFFFAOYSA-N	249.075	-0.486	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]2CC[C@@H]2C1	2068701093	CJSKQJNBSBANAC-RTCCRHLQSA-N	247.103	-0.036	50	10	BBGE	
Cc1ncncc1C(=O)N[C@H]1CCC=C1B(O)O	2076084059	IJULSADWMWODPF-JTQLQIEISA-N	247.063	-0.384	50	10	BBGE	
OB(O)c1ccc(CN2O[C@H]3C=C[C@H]2C3)c(F)c1	2078464306	CMEJUUFBONPGJW-QWRGUYRKSA-N	249.050	-0.050	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCCC2(O)CC2)[nH]1	2211048490	KELZLNIJRCPZSB-UHFFFAOYSA-N	243.698	-0.228	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CSc1nncn1N	2211839554	WGMFFCSMCMIROA-WDSKDSINSA-N	242.308	-0.900	50	10	BBGE	
Cc1cnc(N2CC(C#N)C2)cc1B(O)O	2212605562	HBUHZEZYUHVVTH-UHFFFAOYSA-N	217.037	-0.970	50	10	BBGE	
OB(O)c1cccnc1NCC1[C@@H]2CC[C@@H]12	2212612547	LTNQQRPOPQKRRX-HTQZYQBOSA-N	218.065	-0.171	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COC[C@@H]1COCCO1	2215771041	FUGDLWWECISXDA-LPEHRKFASA-N	244.291	-0.566	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C[C@@H](C)CO)C1	2216704210	TZRDVKIQPIZVGG-KOLCDFICSA-N	243.351	-0.049	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)n[nH]1	2217178022	QGDWPNNSLKDBDD-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Nc1nccc(B(O)O)c1F	2217181195	YNQAZMIBCVPKLP-XPUUQOCRSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(NCc2ncc[nH]2)cc1B(O)O	2217183203	JPXKSRYZVLCXDZ-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C#CCN(c1nccc(B(O)O)c1F)C(C)C	2217183701	NEDXVRULZDSWBQ-UHFFFAOYSA-N	236.055	-0.252	50	10	BBGE	
COC[C@H](CF)Nc1cc(B(O)O)c(C)cn1	2217184317	OJZTVSVHAVKOAK-QMMMGPOBSA-N	242.059	-0.534	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1nccc(B(O)O)c1F	2217185908	CVXCPCBKBBOSEK-HTRCEHHLSA-N	242.059	-0.595	50	10	BBGE	
C[C@@H]1C[C@H](Oc2nccc(B(O)O)c2F)CN1	2217187009	RSZWTQZVKYZIDI-RQJHMYQMSA-N	240.043	-0.970	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Nc1cc(B(O)O)ccn1	2217195952	BCZJPFGGHYXYIR-IUCAKERBSA-N	235.096	-0.701	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2OCC[C@@H]21	2217199040	JQTHZQGTPJACGR-QNSHHTMESA-N	234.064	-0.649	50	10	BBGE	
C#CC1(Oc2ccc(B(O)O)cn2)CCOCC1	2223624715	GEHLIQITTVAPAB-UHFFFAOYSA-N	247.059	-0.677	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2223632391	JDXHBTJWLHQVLK-GWOFURMSSA-N	244.103	-0.148	50	10	BBGE	
CC(C)[C@H]1CNCCN1c1cc(B(O)O)ccn1	2223667021	MLPJQWQVBUOVTI-LLVKDONJSA-N	249.123	-0.804	50	10	BBGE	
O=C(CCl)N[C@@H]1COC2(COC2)C1	2241845590	AFDPABASULCORC-LURJTMIESA-N	205.641	-0.101	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC=C(F)C1	2243347315	LJYVWZUMBSNWRD-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C(=O)C2(B(O)O)CC2)C1	2243363041	AHSNQGWHSLGTNW-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
C[C@H](N)CCCNC(=O)C1(B(O)O)CCC1	2243365785	SCPZKVGUMIHKQI-QMMMGPOBSA-N	228.101	-0.373	50	10	BBGE	
C#CC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381627	HIVLLZOHHSUOCR-LRHSEUGZSA-N	221.065	-0.233	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cn[nH]c1	2243392232	SGARDIGQYSBDDC-APQOSEDMSA-N	223.041	-0.550	50	10	BBGE	
CNCC[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243397192	XANCVJCALRGJJV-IWSPIJDZSA-N	228.101	-0.646	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCO[C@H]21)[C@H]1C[C@H](B(O)O)C1	2243404493	PBTNNNLFAUHXFO-OAHBRNHXSA-N	225.053	-0.857	50	10	BBGE	
CC#CC(=O)Nc1cc(B(O)O)ccc1Cl	2243673792	AMTXKSJFBUYDME-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
O=C(Cc1cccs1)NCCC#CB(O)O	2244551078	ZWGCAZDHHYPMTI-UHFFFAOYSA-N	237.089	-0.188	50	10	BBGE	
Cc1cnc(OCCOC(F)F)cc1B(O)O	2246673471	SCNWMUWVZKDNLU-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
O=C1N(C(=O)C2(B(O)O)CCC2)CCC1(F)F	2247755673	KNPMJSHNEIAREE-UHFFFAOYSA-N	247.006	-0.222	50	10	BBGE	
CC(C)(C)CNC(=O)c1cncc(B(O)O)c1	2247774951	FJMAOVVCSWRZNO-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
COC(=O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788065	YUHQFVQZYMHAJI-OCAPTIKFSA-N	243.068	-0.691	50	10	BBGE	
C[C@@H]1CNCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247790266	GIKWPXIWEUMOCR-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)CNC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247793550	YMDRUCZBHZHCPP-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@@H]1B(O)O	2247805715	KSUYDBZOVPICQJ-FWLDNGTLSA-N	238.096	-0.752	50	10	BBGE	
O=C(NCCC[C@@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2247808710	LYVGTNLQDYUVFC-OPRDCNLKSA-N	241.096	-0.218	50	10	BBGE	
CC[C@H]1CO[C@H](CC)CN1C(=O)C#CB(O)O	2247848096	HBYDRNFABBSZKM-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(C#CB(O)O)N(Cc1ccco1)C1CC1	2247851278	XPJVDNNFZQJZMU-UHFFFAOYSA-N	233.032	-0.214	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247851310	XYHRYQIOHIVRIE-SECBINFHSA-N	236.080	-0.387	50	10	BBGE	
O=C(NC1CCCC1)c1cncc(B(O)O)c1	2247852465	UXUCSUVOJFHQPD-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
O=C(Nc1cnccn1)c1ccsc1B(O)O	2247857115	QTQJGZQSPAVDKS-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247858155	BHFRKNOIFWCKNT-IWSPIJDZSA-N	243.112	-0.095	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1CCC1	2247860708	ZZZMMAKTQHUCOJ-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
O=C(NCCCCF)c1ccc(B(O)O)cn1	2247869710	XFUNPNPWSRZBFZ-UHFFFAOYSA-N	240.043	-0.759	50	10	BBGE	
CCC(C)(C)NC(=O)c1cn(C)c(B(O)O)n1	2247877284	FNMKJXRNQFRNOJ-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](N2CCC2)C1	2247887423	OCWUNPHOKYMPEP-AEJSXWLSSA-N	238.096	-0.844	50	10	BBGE	
Cc1cnc(N2CC[C@@]3(O)C[C@H]3C2)cc1B(O)O	2254025578	QTSDGCLYDWLQFG-JOYOIKCWSA-N	248.091	-0.969	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1CC2(CC2)C1	2255463383	ICDRYQNNEIMYSX-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(F)c(B(O)O)c1	2255514980	QJIQHTHBDNPVDR-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
O=C(NC1CCCCC1)c1ncccc1B(O)O	2255517007	SBXRRMIVDSQGDF-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CCC[C@H]21	2255518844	PLCIXVYXHPQYBM-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@H]2CC[C@@H]21	2255553481	ZJYLDANRCQOSQG-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
O=C(Nc1ccccc1O)c1cocc1B(O)O	2258133125	LVGCKANCEMGLRE-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2cc(B(O)O)co2)C1	2258153024	NGUARWPUCIEONA-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C#CC1(NC(=O)c2ccc(F)c(B(O)O)c2)CC1	2258947275	GBSVOOCPAGFAEZ-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
CC(C)(O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375140	ZPFMXISUKFJCDY-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CNC2)[C@@H]1C[C@H]1B(O)O	2298376195	MTUMFEZGRFLSTJ-YSSBGUOXSA-N	238.096	-0.892	50	10	BBGE	
CN(C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1	2302408019	HCWRVEUZGDZSRT-UHFFFAOYSA-N	244.006	-0.262	50	10	BBGE	
CCN1CC[C@H](N2CC[C@](C)(B(O)O)C2)C1=O	2303159459	GEDKUHBBOKGRFK-ONGXEEELSA-N	240.112	-0.454	50	10	BBGE	
CCC1(Oc2cc(B(O)O)c(F)cn2)CNC1	2303850420	SHQQSFYXKMGHHS-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H]3CC[C@H]2O3)[nH]c1	2312612376	UOFZBMGYERJIQH-DVVUODLYSA-N	248.091	-0.837	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1coc(B(O)O)c1	2312848514	IOMAQLXODJZJDE-KHQFGBGNSA-N	247.059	-0.346	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1occc1B(O)O	2312849229	LNIMKYBZEGKAPB-WEDXCCLWSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1C=CCNC1	2317207752	VHKVAJQVLJDABL-LLVKDONJSA-N	244.059	-0.855	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC1(CN)CC1	2317210277	ALDIYYBLDLZBTE-UHFFFAOYSA-N	246.075	-0.644	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CCCO2)cc1B(O)O	2317311277	NLDMLFHXYJPGJT-LLVKDONJSA-N	249.075	-0.230	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(c1ncccc1B(O)O)C2	2317386006	SOLKAVOEECLTGR-UISBYWKRSA-N	248.091	-0.889	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	2319322856	IHTBYMONEDNOGC-LBPRGKRZSA-N	243.071	-0.215	50	10	BBGE	
Cc1cnn(Cn2ccc(C(=O)NN)n2)c1	2535151	LPMFQQZXQVPVKH-UHFFFAOYSA-N	220.236	-0.503	50	10	BBGE	
CCNC(=O)CNC(=O)NC(=O)[C@H](C)Cl	36779883	XQFHCWOGQCZSEB-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
N#CCCN(CCOCCO)C(=O)CCl	41620365	BGGZWOMZOSDCME-UHFFFAOYSA-N	234.683	-0.024	50	10	BBGE	
CCN(CC)CCN[C@H](C)CC(=O)NN	58862110	OICSQUHZAAYZSD-SECBINFHSA-N	216.329	-0.314	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468775	JXKLJIKMSYSIMU-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469325	OPVJULADPCTFFS-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
CC[C@@H](SCCS(C)(=O)=O)C(=O)NN	82514836	IMBJBKFXGXXNCF-ZCFIWIBFSA-N	240.350	-0.467	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCCN(C)C	82544105	RYQVLUOFKVUTFW-SNVBAGLBSA-N	230.356	-0.116	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85541996	HQWLGSJENRAXJM-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](NS(=O)(=O)C[C@@H](C)CCl)C(N)=O	86550186	PDMSIOFBSPWURT-WDSKDSINSA-N	242.728	-0.346	50	10	BBGE	
C[C@H](C(=O)NN)N1C(=O)C(=O)c2ccccc21	113179690	DCRUDYJNGLYKOE-ZCFIWIBFSA-N	233.227	-0.406	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)CO)c(C)s1	182761083	SSTKUNLSYNHXNI-UHFFFAOYSA-N	229.261	-0.487	50	10	BBGE	
NC1(C(=O)O)CC(CCCCB(O)O)C1	196127912	WEDQIUQVVUEAMQ-UHFFFAOYSA-N	215.058	-0.178	50	10	BBGE	
COCCN(C)Cc1ccc(F)c(B(O)O)c1	199010752	DHGPAGOGAUSAMX-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
O=C1OCC[C@@H]1NS(=O)(=O)CCCl	220252830	PHGQVZZHMXFGJV-YFKPBYRVSA-N	227.669	-0.540	50	10	BBGE	
COC[C@H](SCC(C)(C)N)C(=O)NN	232421724	NTHSQZMPBMKHBB-LURJTMIESA-N	221.326	-0.538	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)CO	252813900	SEKZOANHLVRSMW-CSMHCCOUSA-N	203.286	-0.687	50	10	BBGE	
NNC(=O)CCN1C(=O)CSC1=S	306737656	ZHBFMIYDJOOPQI-UHFFFAOYSA-N	219.291	-0.773	50	10	BBGE	
OB(O)c1cc2scc(O)c2cc1O	306907147	NAWZFLZBGHQVBC-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
N[C@H]1COC[C@H]1C(=O)NCC(Cl)Cl	307291503	BHRMRCQNJFOUSL-UHNVWZDZSA-N	227.091	-0.120	50	10	BBGE	
CNc1ccc(B(O)O)cc1C(=O)OC	308783716	DQJRUXWNATZHTK-UHFFFAOYSA-N	209.010	-0.805	50	10	BBGE	
CCCOc1cnn([C@H](COC)C(=O)NN)c1	310138668	CYLVMLSUZNFDEO-SECBINFHSA-N	242.279	-0.151	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(O)(C2CC2)C1	383969861	IGPXCRPAEMVUJK-SSDOTTSWSA-N	213.281	-0.788	50	10	BBGE	
CC1(O)CN(CCCCC(=O)NN)C1	384159856	RDKRQTRGVSKLPI-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CC(C)CC(C=NNC(N)=O)=NNC(N)=O	390191902	NTWZTEIMEFXACH-UHFFFAOYSA-N	228.256	-0.289	50	10	BBGE	
C=CCNC(=O)CNC(=O)CBr	393804610	YNYDVYKSJUKEKJ-UHFFFAOYSA-N	235.081	-0.200	50	10	BBGE	
CC(C)(CCN1CC[C@@H](N)C1)C(=O)NN	395615372	OFHZRAOHXDPUOM-MRVPVSSYSA-N	214.313	-0.574	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@@H](N)C1	395795087	BBGZKQRCOHOUMW-RKDXNWHRSA-N	228.340	-0.186	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1C(=O)O	396133579	QIVARUNMFFWPOI-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
OCc1c(B(O)O)sc2ccc(O)cc12	396336622	GDRWCWUXBUGDSN-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC[C@H](OCCOC1CCC1)C(=O)NN	400772257	YCGSYCXCEMMOND-VIFPVBQESA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1C[C@H](O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	401691936	GTZAGCVEWPEJAO-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
C#CCOC(=O)N(C)Cc1ccc(B(O)O)cc1	405082069	MUIZKROAEMOZJM-UHFFFAOYSA-N	247.059	-0.432	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CCC[C@H]21	584949574	NFWFBYQPBNWKTF-CMPLNLGQSA-N	245.087	-0.009	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)NCc1cccc(B(O)O)c1	690064605	BXVDJMHZNUBEDA-MNOVXSKESA-N	249.075	-0.983	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	695058340	DFXOVYFAMFURFM-ZCFIWIBFSA-N	242.239	-0.237	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696773330	CAQRWRWBCKNNSQ-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CN(C)Cc1cnc(C(=O)NN)s1	711158435	XNVHPJSMNKZZQZ-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733813325	GVHQJIFASHTXRB-HRDYMLBCSA-N	242.275	-0.262	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CCn1ccnn1	862501580	OUVJPCXGXFYDQY-UHFFFAOYSA-N	246.274	-0.063	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862892739	WEXKKXBWDBWQDV-CIUDSAMLSA-N	244.291	-0.138	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CN1CC[C@@H](C)C1	1141855601	WFMRVBHSXGIEPY-NXEZZACHSA-N	229.324	-0.328	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CCCC#N)nn1	1330885871	GZQHPXOXMCABQD-UHFFFAOYSA-N	236.235	-0.730	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)NC1CC1	1464480175	DNDHERWRKNYGPC-UHFFFAOYSA-N	237.263	-0.316	50	10	BBGE	
Cc1cnc(C(=O)NNC(=O)c2ncon2)cn1	1536937457	HYMPHQAXWUYAMS-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
COCCN(C)NC(=O)CSCC(C)=O	1568941902	AEOZSTIPGBCKPA-UHFFFAOYSA-N	234.321	-0.082	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NN(C)[C@H](C)CO	1639064429	MUFOIMRBHGVPBR-VHSXEESVSA-N	231.340	-0.082	50	10	BBGE	
C/C=C(/C)C(=O)NNC(=O)[C@@H]1COCCO1	1772837820	KCVWHGCGBJVAOH-PFPYCLJUSA-N	228.248	-0.485	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CCNC1=O	1883493985	LCAFHQHNYXYSIV-PHDIDXHHSA-N	204.657	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(CO)CC1	1886374052	FSWGWNXSRKJFBS-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC(C)C(F)(F)CNC(=O)C(=O)NN	1886585450	WMFDWNULDGMGEO-UHFFFAOYSA-N	209.196	-0.616	50	10	BBGE	
Cc1c(CN=[N+]=[N-])cc(CN)cc1B(O)O	1887521104	QFFLMOORNPEQOJ-UHFFFAOYSA-N	220.041	-0.056	50	10	BBGE	
CN1CC[C@H]([C@H](N)[C@H]2C[C@H]2Cl)S1(=O)=O	1893445603	DOEBYAXCISROHP-LXGUWJNJSA-N	238.740	-0.025	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOCCN1	1893504810	MZVUFYVVMCIXJA-OWOJBTEDSA-N	218.640	-0.329	50	10	BBGE	
C=C(CN(C)[C@@H](CC)COC)B(O)O	1895237449	AOGPPUAFZQNECK-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1ccccc1B(O)O	1896323823	AUDONUVKSJSFKP-GZMMTYOYSA-N	222.049	-0.220	50	10	BBGE	
CC(C)[C@H]1C[C@]1(N)C(=O)NN(C)S(C)(=O)=O	1901376812	GLINENSSIGNODC-VXNVDRBHSA-N	249.336	-0.718	50	10	BBGE	
CC(C)N1CCN([C@H](C)CC(=O)NN)C(=O)C1	1906994731	CNIKSLQJNKIPKX-SECBINFHSA-N	242.323	-0.693	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N(CC(=O)NN)C1=O	1910364180	OTTFPWQJKDMBPC-PHDIDXHHSA-N	213.237	-0.993	50	10	BBGE	
CN1CC[C@@H](NNC(=O)C(F)(F)F)C1=O	1923408443	HRJPOTIBXHXYGY-SCSAIBSYSA-N	225.170	-0.600	50	10	BBGE	
CCS(=O)(=O)N(C)CCNC(=O)CCl	1926346461	WJSFMWHVYZNWFX-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
CCON(C)C[C@H]1CC[C@@H](C(=O)NN)O1	1928678588	WTCOZZILAUMNLG-SFYZADRCSA-N	217.269	-0.593	50	10	BBGE	
CCCN(CCCO)CCC(=O)NN	1930057707	VZDPBMWJPOCRSE-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]2(CCO2)C1	1932811298	AYZOHKUQJGJURQ-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936093170	BITGWTTWAUZWNF-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
CC1(C)[C@H]2CN(CCOCC(=O)NN)C[C@H]21	1936529165	JZGNDSHGJNKOAP-DTORHVGOSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](CO)C2(CC2)C1	1940645437	QKAMDUDTPMCTKW-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]1CCCO	1941085499	DIECXQBSYVHAPY-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2OCC[C@@H]2C1	1941086539	JIRWXUGPBGIDJD-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)COCCN1C[C@H](C2CC2)CC1=O	1941772771	NOHXVCFVLOHKSU-SECBINFHSA-N	241.291	-0.749	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCCOCC1	1941779247	ALMPHMYMRSIWBV-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944740185	ABOWJCSJXCWTCI-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2OCCO[C@H]2C1	1944745084	TUBGXMDOODZRSU-LPEHRKFASA-N	243.307	-0.900	50	10	BBGE	
CN(C)C[C@@H]1CCCN1CC1(C(=O)NN)CC1	1945882001	ACVDNPPAUBOVPH-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(COCCO[C@H]2CCOC2)CC1	1945894147	SVRPDOJFMPKWCW-VIFPVBQESA-N	244.291	-0.421	50	10	BBGE	
NNC(=O)COCCOC[C@H]1CCCCCO1	1947241581	GUAUCQZZNAVLSX-SNVBAGLBSA-N	246.307	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949270953	LKBVVWGRYJVIIE-MFDAYCCISA-N	241.335	-0.011	50	10	BBGE	
CS(=O)(=O)N1CCN(CCCl)C(=O)C1	1956861808	KPHMANNKNAQXND-UHFFFAOYSA-N	240.712	-0.671	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1C(=O)C(=O)NN	1956918109	KYAFQRZLKIIZQY-SCSAIBSYSA-N	207.180	-0.768	50	10	BBGE	
CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)NN	1961261254	QGAIRSVYMBVHSX-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](C)N(C)c1ccc(B(O)O)cn1	1961691483	OYMOUBMJXAAYKE-QMMMGPOBSA-N	208.070	-0.004	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2OCC[C@@H]2F)cc1	1968604968	ZVBBYFIXSFXYSY-WDEREUQCSA-N	240.039	-0.128	50	10	BBGE	
CCCCCn1cccc(B(O)O)c1=O	1975100931	KZRXHAOQMHRMCU-UHFFFAOYSA-N	209.054	-0.282	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1975152966	RLGTZXVAQUUJLG-JBDRJPRFSA-N	213.281	-0.790	50	10	BBGE	
NNC(=O)C(=O)N1CCCO[C@@H]2CCC[C@H]21	1980773296	UXLISRREGXSPJE-HTQZYQBOSA-N	227.264	-0.854	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2OCC[C@H]2C1=O	1981251618	HWKUFPXHDNIAQA-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@@H]1CCO	1981406619	GOQUPUDJCYFJDK-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CCC1(N(C)c2ncc(B(O)O)cn2)CC1	1981410018	UVDHBYIWPXSIDC-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
Cc1ncnc(N2CCC2(C)C)c1B(O)O	1981447534	OXXCGHOFVQNWGE-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N(C)C2CC2)C1	1981583129	FLMSSVKGECDUBG-SNVBAGLBSA-N	226.324	-0.467	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983567095	INGXCQYEHYTIDR-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](OC[C@H]1COC(C)(C)CO1)C(=O)NN	1984655180	LCWOZGOFWHPURX-SFYZADRCSA-N	232.280	-0.425	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2C[C@H](C)C[C@@H]2C1	1985229038	POTITBMPAATAKE-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
CO[C@H]1CN([C@@H](C)C(=O)NN)CC(F)(F)C1	1986741745	SBGDYVLLKQNYFB-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
COC(=O)NCCc1ccccc1B(O)O	1987615021	TXKYSOKTJJNZSE-UHFFFAOYSA-N	223.037	-0.735	50	10	BBGE	
O=C(O)C(=O)N1CCN(C[C@@H]2C[C@H]2Cl)CC1	1991439467	SJFVOEXFSJROPJ-JGVFFNPUSA-N	246.694	-0.158	50	10	BBGE	
CCN1CCN(C(=O)/C=C/C(=O)Cl)CC1=O	1991702618	WKDFZLADTIOPAC-ONEGZZNKSA-N	244.678	-0.001	50	10	BBGE	
C=C(CN1CC(OC)(C(F)(F)F)C1)B(O)O	1992158647	BPPVVLIDYJIQPL-UHFFFAOYSA-N	239.002	-0.182	50	10	BBGE	
CN(C)NC(=O)c1cc(B(O)O)ccc1Cl	1992837051	UEUWDHGQXNQCMS-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
CC(C)(CN1CCC[C@@](F)(CO)C1)C(=O)NN	1995926485	MTDMBQGLWCNDQY-NSHDSACASA-N	247.314	-0.201	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CCN(C)[C@@H]2C1	1996607154	AOVUNHMECSPESG-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
O=C1CN([C@H]2C[C@H](n3ccnc3)C2)CC(=O)O1	1997418959	ZVOYLIATMMPUED-KYZUINATSA-N	235.243	-0.028	50	10	BBGE	
Cc1ncc(OCCC2COC2)cc1B(O)O	1998050855	OIYBEQBJTXDMQR-UHFFFAOYSA-N	237.064	-0.515	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@@H](C)[C@H](C)C(=O)NN)C1	2002123134	YVWQBOYOSYHNJO-XKNYDFJKSA-N	245.323	-0.918	50	10	BBGE	
COC[C@H](C)OCc1c(C(=O)NN)cnn1C	2003505926	KSEHHRUWBYCSJM-ZETCQYMHSA-N	242.279	-0.425	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N[C@H]2CCCC[C@@H]21	2004290431	DJXSOZLJVFZBNA-VGMNWLOBSA-N	240.307	-0.892	50	10	BBGE	
Cc1ncnc(N2C[C@H](F)C[C@H]2C)c1B(O)O	2004975094	UMFHJPYHESQFOT-HTRCEHHLSA-N	239.059	-0.598	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C2CC2)c(F)c1	2005014234	IQXJIUUARGVWJA-JTQLQIEISA-N	236.055	-0.111	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H]2CO)cn1	2007740175	FRHIPSGSEFDMRP-VIFPVBQESA-N	236.275	-0.748	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccccn1	2020069220	YRGJWLZNQCPSFQ-VIFPVBQESA-N	232.048	-0.088	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC#CB(O)O)[C@@H]1C	2021156986	GBDGHSZTUAXPBY-UTINFBMNSA-N	239.080	-0.823	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@H]3COC[C@H]2C3)o1	2021412351	JXXCNXMIPCEFHW-HTQZYQBOSA-N	237.259	-0.144	50	10	BBGE	
CC[C@]12CO[C@](Cn3cc(B(O)O)cn3)(C1)C2	2025121649	YVDYWGYZOMYQCR-PHIMTYICSA-N	236.080	-0.478	50	10	BBGE	
CN1CCC[C@H]1C(=O)Nc1ccccc1B(O)O	2034004406	NTYOLYHTEOTFBY-NSHDSACASA-N	248.091	-0.601	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@@H]2C[C@@H]2C1	2040767397	QZNBWLGZXXYDEE-BRPSZJMVSA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2052499141	OQUAWVUUQZXBDK-LPZLMQDUSA-N	246.075	-0.420	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCCC23CC3)n1	2052625317	LGBIXUNHIJUMNW-UHFFFAOYSA-N	247.107	-0.094	50	10	BBGE	
C[C@H]1CC[C@H](n2cnc3c(B(O)O)ncnc32)C1	2055740007	JOYRVGMTERZRKM-YUMQZZPRSA-N	246.079	-0.133	50	10	BBGE	
CCOc1ccc(F)c([N+](=O)[O-])c1B(O)O	2060120409	FAIWPQPVYFBYFX-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
N#Cc1cc(B(O)O)cc(C=O)c1C(F)F	2060226280	XFWKTXZJAKYTQU-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
N#Cc1c(F)cc(B(O)O)cc1OC(F)F	2060263891	ZKQMCNLEDWPFNG-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
COc1cc(B(O)O)cc(C#N)c1OC	2060290401	UYZJIFIRVJRVOP-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
N#CC1(O)CCN(Cc2cc(NN)ncn2)CC1	2073498879	CPHVHTLEOMPBBB-UHFFFAOYSA-N	248.290	-0.387	50	10	BBGE	
C=CC[C@H](CO)NC(=O)c1ccccc1B(O)O	2079011093	YUPNJJSUIHRHDU-SECBINFHSA-N	249.075	-0.967	50	10	BBGE	
C[C@@H](CC(=O)NN)S[C@@H]1CCNC1	2209391295	INTHTHLHWRCHEJ-NKWVEPMBSA-N	203.311	-0.150	50	10	BBGE	
CCO[C@@H]1C[C@H]2CN(CCC(=O)NN)C[C@@H]21	2210601704	ZXSHTRRCPVQBMN-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1cccnc1SC[C@@H]1CCNC1	2212599663	MBTVWTKKCLHHSP-MRVPVSSYSA-N	238.121	-0.537	50	10	BBGE	
CC#CCN(C)c1cc(B(O)O)c(C)cn1	2212604865	SWJLUGRFCRCCJV-UHFFFAOYSA-N	218.065	-0.471	50	10	BBGE	
CC(C)(CCF)CNc1ncc(B(O)O)cn1	2217174168	WVWLSDJJPUQDSX-UHFFFAOYSA-N	241.075	-0.046	50	10	BBGE	
Cc1cnc(N2CCO[C@@H](C)C2)cc1B(O)O	2217179694	BAHJOEXXOJJTGS-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CNC[C@H](C)COc1cc(B(O)O)c(C)cn1	2217183229	JZUNSCYASQTZKG-QMMMGPOBSA-N	238.096	-0.696	50	10	BBGE	
CC[C@@H](C)[C@@H](CN)Oc1cc(B(O)O)ccn1	2217189909	KDGRTXVIHBURHV-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)O1	2217197205	KXIWNANXAPRSPI-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CC[C@@H](C[C@H](C)O)Nc1ccc(B(O)O)cn1	2217200299	JIBKLUGLGDPSFR-WPRPVWTQSA-N	238.096	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCn2nccc2C1	2221569156	ZHBIJSOMEWMMLK-GXSJLCMTSA-N	249.318	-0.285	50	10	BBGE	
CCc1ocnc1CNc1ncccc1B(O)O	2223626538	IFNJQFRKTYXWAR-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@@H]2CN)cc1B(O)O	2223643444	VVEBDRDZCQSOSI-KOLCDFICSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccncc1	2223666393	LWRKOHXSMIMXPE-UHFFFAOYSA-N	243.075	-0.189	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNc2ncccc2B(O)O)C1	2223668427	ZFGDAPQTMLKVCE-AOOOYVTPSA-N	249.123	-0.487	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@@H]1CCOC1	2242824404	WYRHCRUMHATVKD-SECBINFHSA-N	223.037	-0.762	50	10	BBGE	
CCN(C(=O)c1ccoc1B(O)O)C1CC1	2243349644	OKGHHLCBFVFEBJ-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)CS1	2243349762	QBTDIYFTPARYAY-DTWKUNHWSA-N	241.121	-0.256	50	10	BBGE	
C#CCNC(=O)c1ccc(C)c(B(O)O)c1	2243367195	PFJUOUQMHLZAMG-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243391972	PZPAUZGZXZMAEF-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1csnn1	2243395861	CYYJOFVSSUHRKE-ZLUOBGJFSA-N	241.081	-0.422	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCC[C@H]2C1	2243398822	HKZKMADCZANWIE-AOOOYVTPSA-N	221.065	-0.350	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C=CCC1	2243678299	HLFLCJVXAANTOV-LURJTMIESA-N	238.077	-0.272	50	10	BBGE	
CC=CC(=O)NCc1scc(C)c1B(O)O	2243684936	JRZQAQNIFQFAOJ-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cscc1B(O)O	2244144521	QWGUPFKXTUTCIR-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
N#CCCOCCN1CCC(B(O)O)CC1	2244170567	IYNYZOQIJGZLAQ-UHFFFAOYSA-N	226.085	-0.145	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2247733982	FKYXLEYFOHWUQY-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(C)cc1B(O)O	2247752526	QWDMPZNQDVJAQS-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
C[C@H](Cn1ccnc1)NC(=O)C1(B(O)O)CC1	2247753510	HXEGJMUSOODMLV-MRVPVSSYSA-N	237.068	-0.605	50	10	BBGE	
Nc1cccc(CNC(=O)C2(B(O)O)CC2)c1	2247758805	WZPKGZFSIRIPLL-UHFFFAOYSA-N	234.064	-0.108	50	10	BBGE	
CCCCN(C)C(=O)c1cc(B(O)O)cn1C	2247763664	MYBUXIFHJNWUKQ-UHFFFAOYSA-N	238.096	-0.423	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247780828	FRPGNSNMZAQXAN-ZETCQYMHSA-N	237.068	-0.992	50	10	BBGE	
C[C@]1(O)CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247788003	XSXMUOZVTDCDOW-LOKLDPHHSA-N	241.096	-0.341	50	10	BBGE	
Cc1cc(C(=O)N2CC3(CC3)C2)oc1B(O)O	2247789072	PMNVSDFGXQJBLX-UHFFFAOYSA-N	235.048	-0.496	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(C)c(B(O)O)o1	2247789563	XZCJQRHFNBPOHB-YUMQZZPRSA-N	237.064	-0.204	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)cc(C)[nH]1	2247790392	GYONYEFRFRUWEN-UWVGGRQHSA-N	234.064	-0.078	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790409	HCFOFMDSJZGBDL-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCCO1	2247796553	AQMCNHCJXAJGTQ-QXEWZRGKSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797748	MNHVEOFMXZTPAR-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
O=C(NC12CCC(CC1)OC2)[C@H]1C[C@H]1B(O)O	2247804769	IKYSZCSHBKOFBX-UVCIYIGYSA-N	239.080	-0.323	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CO[C@@H](C2CC2)C1	2247850023	IVONNOXNYCKGBP-NXEZZACHSA-N	237.064	-0.972	50	10	BBGE	
Cc1cn(C)c(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247860540	XXCWLEVELBFLQH-OCAPTIKFSA-N	237.068	-0.080	50	10	BBGE	
O=C(NC1CC([C@H](F)CO)C1)C1(B(O)O)CC1	2247873821	MMVDLFHDSLQTJV-KAVNDROISA-N	245.059	-0.781	50	10	BBGE	
Cc1ccc(C(=O)N(C)CCF)c(B(O)O)c1	2247874779	UERREMOWMKIKCB-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
O=C(N1CC[C@@H]2CNC[C@@H]21)C1(B(O)O)CCC1	2247877418	ANZISWPJHSCHIY-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CCN(CC)CCN(C)C(=O)C1(B(O)O)CC1	2247877597	BYGZWMGDBQUJAW-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2247879410	UUIKWLGFZWKDJK-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
O=C(NCC[C@@H](O)C1CC1)C1(B(O)O)CCC1	2247880021	XMKYGORDYQPKOJ-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
Cc1conc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247888447	ZPVIMSSNOMCVTC-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
C=C(C)CNC(=O)c1nccc(C)c1B(O)O	2247889937	CDCVBEORURVNFN-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
Cc1cc(C(=O)N[C@]2(C)C[C@H]2C)oc1B(O)O	2247891521	YZQJHLQVMJUPRX-RDDDGLTNSA-N	237.064	-0.204	50	10	BBGE	
O=C(NCCC1(CO)CC1)C1CC(B(O)O)C1	2247892589	DDZROEPSTCAVGN-UHFFFAOYSA-N	241.096	-0.482	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1N[C@H]2CC[C@H]1C21CC1	2247900651	YRDFKUWHMBXOQK-KZVJFYERSA-N	236.080	-0.493	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](CO)[C@@H](F)C1	2247908971	CNCXUQHYGDZECR-MAUMQABQSA-N	245.059	-0.972	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@@H](C)CO	2248442647	UGSDDCRKJGXNJC-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248578419	SYUWLHMFJDBHOS-FXQIFTODSA-N	243.068	-0.535	50	10	BBGE	
CC(C)N(CCC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248585335	JTZYQPMRZCOABB-HTQZYQBOSA-N	243.068	-0.439	50	10	BBGE	
COCC[C@H](C)NC(=O)c1cc(B(O)O)co1	2249433171	ISHAISJDJJNECZ-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CC[C@]1(C(=O)NCCC#CB(O)O)CCCO1	2250002061	GKFWSSSNYIOCBB-LLVKDONJSA-N	239.080	-0.533	50	10	BBGE	
CCC(=O)c1cnn([C@H](COC)C(=O)NN)c1	2250484366	DIKLMIQXCNXLER-MRVPVSSYSA-N	240.263	-0.347	50	10	BBGE	
O=C(Nc1ncco1)c1ncccc1B(O)O	2252745347	LAKUXXHXCWAGEZ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC2(C)CC1C2	2255507262	YCUWZVNPSCPSBL-UHFFFAOYSA-N	248.091	-0.671	50	10	BBGE	
Cc1ccc(C(=O)Nc2nc[nH]n2)c(B(O)O)c1	2255508562	BAMZGGRXZXDAPL-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CCc1ncncc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2255563943	LFUGWDLOHSAPMC-RKDXNWHRSA-N	249.079	-0.482	50	10	BBGE	
Cc1nc(NC(=O)c2ccc(B(O)O)o2)[nH]c1C	2255674052	VNTZTZVBLVXUSP-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N(C)C1COC1	2255735217	PGAKTBNVWGRYDN-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NN1CCCC1	2255736166	IDNPFXPORURAKA-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2[C@H]3CC[C@H]32)oc1B(O)O	2255742013	AAPOTHZPVSOROP-BRPSZJMVSA-N	249.075	-0.346	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1C[C@H]2C[C@@H]2C1	2255947285	MQLDJGXJLMCJEY-HTQZYQBOSA-N	247.059	-0.836	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1O)C1CC1	2255952314	RBZFAPUGERWPJP-SSDOTTSWSA-N	249.075	-0.400	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)ccc1O	2256016333	GSXYFMKLICAPBE-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
C#CCCC(=O)N(C)Cc1ccc(B(O)O)cc1	2256637167	RVPNPJQHUSQSHD-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
Cc1nnccc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2261223487	FERDPISRAKVRLD-NXEZZACHSA-N	249.079	-0.394	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2298106690	BCZNDFWYSJBSTP-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
COCC[C@@H](COC)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368528	KHCPBIHWXIEGQX-YIZRAAEISA-N	245.084	-0.983	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369071	IBTMRZNKGHFRSW-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@H]12)C1(B(O)O)CC1	2298374936	GVYJEOPKZQEOTD-KZVJFYERSA-N	239.080	-0.874	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2OCC[C@H]2C1	2298376687	IZEKEENCEAHJLY-JLIMGVALSA-N	239.080	-0.513	50	10	BBGE	
O=C(N1Cc2cccnc2C1)C1(B(O)O)CC1	2300115228	MGHMFBJBOMMDJZ-UHFFFAOYSA-N	232.048	-0.069	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)CC(B(O)O)=C(C)C	2301850493	KSGBIBOMLNOMCY-MNOVXSKESA-N	243.112	-0.320	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)[C@@H](CF)[C@H]1OC	2302218452	UVKXNKZBLRLUEB-BZNPZCIMSA-N	249.286	-0.952	50	10	BBGE	
Cn1cc(Nc2ccc(B(O)O)cc2C#N)cn1	2317157110	XYRUUNOFGRUKKO-UHFFFAOYSA-N	242.047	-0.285	50	10	BBGE	
OB(O)c1cc(N[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)ncc1F	2320786770	BIBPIFHWJCWKPO-SYOPEISBSA-N	248.066	-0.033	50	10	BBGE	
N[C@H](CCCNC(=O)CCl)C(=O)O	13545274	YOHUBSGWLQBGKD-RXMQYKEDSA-N	208.645	-0.467	50	10	BBGE	
N#C/C(N)=C(C#N)/N=C\NCCCCCO	34181644	YYPFGRCKPWBLEK-KTKRTIGZSA-N	221.264	-0.016	50	10	BBGE	
C[C@H](CNCCCn1ccnc1)C(=O)NN	58844649	PGLQLKKCBVODRK-SECBINFHSA-N	225.296	-0.511	50	10	BBGE	
COCCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	86313515	IRQNOMPMXALIHB-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cc([N+](=O)[O-])cn1	86313753	INYHLWHAFXMHHU-RITPCOANSA-N	227.224	-0.022	50	10	BBGE	
C[C@@H]1SCCN(CC(=O)NN)[C@H]1C	156895405	WYFBVYCWUAYKSN-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
CC(C)[C@H](C)CC(=O)NNC(=O)CO	182758024	UZTSPOUPRPCYNA-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCO1	199004991	JOIBAJOHJBPSIG-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
NC(=O)[C@@H]1CCCN1C(=O)NCCCl	200950946	QTJCYUDSNOLPPA-LURJTMIESA-N	219.672	-0.116	50	10	BBGE	
CN(C)C(=O)Nc1ccc(B(O)O)cc1	203586081	HEGGSLKFJQGEEI-UHFFFAOYSA-N	208.026	-0.540	50	10	BBGE	
CC(C)C[C@@H](NC(=S)CN)B(O)O	210105926	LXFOKSQOXOGHSV-ZCFIWIBFSA-N	204.104	-0.711	50	10	BBGE	
O=c1ncccn1Cc1cc(F)cc(B(O)O)c1	211659320	BXGKWPPXSXMWTO-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
Cn1ncc(B(O)O)c1Oc1ccccc1	217616719	HUDDVAQVBCSULS-UHFFFAOYSA-N	218.021	-0.108	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)NC[C@H]2C1	228520147	RHUYFLFBFFVSRK-YUMQZZPRSA-N	228.683	-0.173	50	10	BBGE	
C[C@@H](N)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228648142	AFINQZMQMVWKJE-PRJMDXOYSA-N	233.337	-0.396	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@](C)(OC)C1	230294409	IMCQENOTJJRYSQ-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	232420391	UBTLLGUMKAINAQ-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H](O)C2)n1	236233340	LHMBEZDDFTURDS-VIFPVBQESA-N	236.275	-0.748	50	10	BBGE	
COc1cc(F)cc2cc(B(O)O)[nH]c12	238354078	OZIFCOSWLLUCSL-UHFFFAOYSA-N	208.985	-0.005	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252857681	ILBUVSXXOQVEAH-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@H](C)[C@@H](C)C(=O)NN	300247655	ZGIRXIMJASOQSY-IWSPIJDZSA-N	244.339	-0.685	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NN)[C@H]1NC(N)=O	307015011	SZSMCVXQSJATAK-PBXRRBTRSA-N	200.242	-0.941	50	10	BBGE	
C=CC[S@@](=O)C[C@H]1NC(=O)OC1=O	308183626	DTRNEULWCYIUDQ-OLZXVPHOSA-N	203.219	-0.444	50	10	BBGE	
CO[C@H](C)CN(C)Cc1cccc(B(O)O)c1	383889695	UOORYXIACINSMS-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
Cn1c(Cl)cnc1CN1CC(=O)OC(=O)C1	393626847	DJSQHFXRHIJISB-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
O=S(=O)(CCCl)N[C@]1(CO)CCOC1	393915426	WYQZODKQNFXCLT-ZETCQYMHSA-N	243.712	-0.704	50	10	BBGE	
N#CCc1cccc2nc(B(O)O)oc12	396113894	OIRWSOSSNPLOMP-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
O=Cc1csc2cc(CO)cc(B(O)O)c12	396329593	AHGLUUKZMNLVLF-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=Cc1cc2cc(CO)cc(B(O)O)c2s1	396335989	LNQHPVNIJWFHGI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cccc(B(O)O)c1	584991556	CTRXWKGIPQYCNG-BDAKNGLRSA-N	233.076	-0.153	50	10	BBGE	
NNC(=O)C[S@@](=O)CC(=O)c1cccs1	586379394	ZTCXWECLYKGIAO-HNNXBMFYSA-N	246.313	-0.331	50	10	BBGE	
CC[C@@]1(C)COCCN1[C@H](COC)C(=O)NN	687850109	XSLYEMQVBCVZHK-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)CC(C)(C)C(=O)NN	688146484	PRSACVGMDOCJBL-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
CC(C)(C)OCCCNC(=O)C(=O)NN	694927951	YROPIBYOFLTQPZ-UHFFFAOYSA-N	217.269	-0.702	50	10	BBGE	
C[C@@H]1CCCC[C@H]1S(=O)(=O)NCB(O)O	701951113	PQQGYVQIPUNVNI-HTQZYQBOSA-N	235.114	-0.504	50	10	BBGE	
CCn1nnnc1SCCCCC(=O)NN	706554111	URYUJBQUURMZRF-UHFFFAOYSA-N	244.324	-0.055	50	10	BBGE	
CN([C@@H]1COC[C@H]1Cl)S(C)(=O)=O	709089388	VXAYLMBWVIPNDZ-PHDIDXHHSA-N	213.686	-0.116	50	10	BBGE	
CCC[C@]1(O)CCCN(C(=O)C(=O)NN)C1	710196950	QAYRNOCWTYEDHL-JTQLQIEISA-N	229.280	-0.870	50	10	BBGE	
CCOCC(=O)NNC(=O)Cc1ccccn1	729397576	OCFLGNQKYOGSRF-UHFFFAOYSA-N	237.259	-0.192	50	10	BBGE	
CNC(=O)NN=Cc1cn2cccnc2n1	757578692	WUXMKQVZXOVTPW-UHFFFAOYSA-N	218.220	-0.008	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@](C)(CO)COC	768456644	QZMONCHZNZNSPJ-OALRPVAKSA-N	242.275	-0.056	50	10	BBGE	
CCn1nncc1C(=O)NNC(=O)c1ccoc1	815150172	QVFQQZXQWAJJRD-UHFFFAOYSA-N	249.230	-0.034	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnsn1)N(C)C	899372027	UEYPOYJKCNOQEF-YFKPBYRVSA-N	243.292	-0.751	50	10	BBGE	
C[C@@]1(C(=O)NNc2ccncn2)CCC(=O)NC1	1298155466	QGYOUJZWGUNVLL-LLVKDONJSA-N	249.274	-0.164	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)CCN(C)C	1440722342	MJPKZSISLXPQGF-SSDOTTSWSA-N	201.270	-0.259	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1cccnn1	1466330089	PMTASXWXFVAKTO-ZETCQYMHSA-N	226.236	-0.949	50	10	BBGE	
Cc1ccc(C(=O)NN(C)C(N)=O)c(O)n1	1566496812	AIAUUDLRUMWVSP-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1nccnc1N	1646461647	IJLJNKWJABNDKA-UHFFFAOYSA-N	247.258	-0.377	50	10	BBGE	
CCn1nncc1C(=O)NNc1nc[nH]n1	1651058960	MGMIRZMAAOYIAX-UHFFFAOYSA-N	222.212	-0.827	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@]1(C(=O)NN)CCOC1	1880022535	FDZIKHDXYHVJNT-JTQLQIEISA-N	245.279	-0.340	50	10	BBGE	
C[C@H](O)[C@H](N)CNC(=O)[C@@H]1C[C@H]1Cl	1883644969	KSBOHIQDNFMROO-BDVNFPICSA-N	206.673	-0.562	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1885273940	HOIRAEIYWIMSCB-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1Cl)[C@@H]1CNC[C@H]1O	1893453488	NIXVIXFFNKNEGN-RULNZFCNSA-N	218.684	-0.595	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1O[C@H]2CC[C@H]1C2	1893711463	PESONHIKUQBWCR-ZLUOBGJFSA-N	215.278	-0.582	50	10	BBGE	
CC1(C)[C@H](O)CN1CCCC(=O)NN	1900686752	PMYOSWWQDAVRIM-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1COCCCO1	1900889369	JXNCDHFSNBWHCE-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CNC1CCC1	1901377994	VNNZXNACMIZATK-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]3C[C@@H]3C2)n1	1902637511	MRSHBAVOFIVFGK-HTQZYQBOSA-N	238.121	-0.335	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2C[C@H]2C)ncc1B(O)O	1909165687	INMWCOZDUWVQLE-IYSWYEEDSA-N	235.052	-0.941	50	10	BBGE	
Cn1nnc(C(=O)N(CCCl)C2COC2)n1	1915694737	KUJBWOFMRTWXRN-UHFFFAOYSA-N	245.670	-0.710	50	10	BBGE	
NNC(=O)CCNC(=O)NCc1ccccc1	1923406130	VTOHMNQLFOUVHA-UHFFFAOYSA-N	236.275	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCOCC1	1928158020	YVXADJSFJJDSQD-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
OC[C@@]12CN(CCCl)C[C@@]1(CO)C2	1928556367	HNAJLQNVTFYOAE-RKDXNWHRSA-N	205.685	-0.098	50	10	BBGE	
CCN(C[C@@H]1CC[C@@H](C(=O)NN)O1)OC	1928675629	SIXUKCGJDXGLTP-YUMQZZPRSA-N	217.269	-0.593	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CCC[C@@H]21	1928998972	GXOKHZIEVZDEJR-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
CNNC(=O)[C@@H](OC)[C@H]1CCCOC1	1930600309	CNZPDBFPZDHKPJ-YUMQZZPRSA-N	202.254	-0.321	50	10	BBGE	
C[C@H]1[C@H](Cn2cc(B(O)O)cn2)C1(F)F	1931659837	YQOMGUSHXAWPJU-FSPLSTOPSA-N	215.996	-0.536	50	10	BBGE	
CC(F)(F)CCn1cc(B(O)O)cn1	1932987919	YQWFBHYDFLLAAR-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
Cn1nnnc1CNC[C@H]1COC[C@@H]1Cl	1933386957	MQVGZMRQAIRSIE-BQBZGAKWSA-N	231.687	-0.447	50	10	BBGE	
O=C1NC(=O)[C@@H](CCCNC(=O)OCCl)N1	1937753213	QRGVWLFUSFHECX-RXMQYKEDSA-N	249.654	-0.103	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H](CO)C1CC1	1937840444	BROQYAQGBJJIMJ-HLTSFMKQSA-N	225.244	-0.326	50	10	BBGE	
NNC(=O)C1(CN2CCC[S@](=O)CC2)CC1	1938231274	UEKOGQRQSZMKCR-INIZCTEOSA-N	245.348	-0.789	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3CC2C3)O1	1938563147	COMVLQREHDKPEZ-HORUIINNSA-N	225.292	-0.382	50	10	BBGE	
C[C@H]1OCCO[C@H]1CN(C)CCCC(=O)NN	1940292233	UJJWFPGOUGMNRY-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCC(=O)N(C)C	1940302636	IREOLGIETHECLG-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1941081684	CDRCKSVGJYOZLJ-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083919	UYMVRWOJQWITEO-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1C(=O)NC	1942614076	UTYBAVOXWHBLBX-HLTSFMKQSA-N	242.323	-0.789	50	10	BBGE	
CO[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NN)C[C@@H]21	1945669652	WAOLSIZQHLBJOO-HRDYMLBCSA-N	241.291	-0.750	50	10	BBGE	
CO[C@@H]1CCC[C@@H](C(=O)NCB(O)O)C1	1951321813	IBBQJFTUCNWVNY-HTQZYQBOSA-N	215.058	-0.680	50	10	BBGE	
CN1C(=O)CCc2cc(B(O)O)ccc21	1951325611	GZMYRLBSKOSWIA-UHFFFAOYSA-N	205.022	-0.725	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)C[C@H](O)C#N	1951420368	HOUQHOZWNOXHKO-BQBZGAKWSA-N	207.251	-0.943	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1[C@H]2COC[C@H]21	1953755404	ZHBCBSWJPNEUHB-FPFOFBBKSA-N	211.670	-0.253	50	10	BBGE	
C[C@H](N=[S@@](C)(=O)N(C)C)[C@H](C)C(=O)NN	1960616212	CUGWKEHZDIHTFG-IMTVCQGZSA-N	236.341	-0.425	50	10	BBGE	
CCCNC(=O)N1CC[C@H](B(O)O)C1	1972411724	FCVKRSWYTKMZFV-ZETCQYMHSA-N	200.047	-0.345	50	10	BBGE	
CC(C)[C@@H](OCCCN(C)C)C(=O)NN	1974679270	RVDAVCBBIMLXEU-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)C1(CN2CC([C@H](F)CO)C2)CC1	1979542322	FXQCBXAJCYVSFX-MRVPVSSYSA-N	231.271	-0.981	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@@](=O)C[C@H]1C	1981191245	IGTXPJIFJZOGSQ-ABFUHYCJSA-N	247.364	-0.546	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1ncncc1B(O)O	1981408418	AHCZLCLLEBJUNI-VXNVDRBHSA-N	221.069	-0.609	50	10	BBGE	
CSCCN(C)c1ncc(B(O)O)cc1F	1981469424	SGHPZKILABVLGE-UHFFFAOYSA-N	244.100	-0.300	50	10	BBGE	
C[C@H]1COCC(=O)N1CC1(C(=O)NN)CC1	1982047995	ZNSXVOFIJGLXGZ-ZETCQYMHSA-N	227.264	-0.996	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]2CF)c1	1986083968	FXTFSZMKNVESAW-LLVKDONJSA-N	223.056	-0.090	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2(C)CC2)n1	1986115604	RPMYNGSLNSXXEF-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
CN(CC(=O)NN)CC(F)(F)[C@H]1CCOC1	1986786274	CUNVUJWFQACPLK-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C(F)F)C1	1990775628	YDBJZSFUHFUTPN-SSDOTTSWSA-N	235.234	-0.259	50	10	BBGE	
Cc1cn(C)nc1C(=O)NCC=CB(O)O	1991328297	DNUACRQZIFAINV-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
C=C(CN(C)C[C@@]1(OC)CCOC1)B(O)O	1992160613	YUZANDKKOZUCTQ-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
C=C(CN1CCN(C2CC2)C[C@@H]1C)B(O)O	1992166992	BXRVPTWDADEDFI-JTQLQIEISA-N	224.113	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)CCOCC(=O)NN)CO1	1996343580	XLFZXLRVFDHPRA-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cc1nc(CN(C)C[C@H]2C[C@H]2C(=O)NN)no1	1997753035	VAEDHYXPRCQBMN-HTQZYQBOSA-N	239.279	-0.564	50	10	BBGE	
NNC(=O)CCCN1C(=O)CN(C2CC2)C1=O	2003828470	MXNHDWPHZHUKRZ-UHFFFAOYSA-N	240.263	-0.817	50	10	BBGE	
CN(CC1(C)COC1)c1ccc(B(O)O)cn1	2004912888	ZINXLFOXFAXNMB-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
CCN(C[C@@H](C)OC)c1ncc(B(O)O)cn1	2004920187	HRWWHHJTGXDLPO-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
CCOCCN(C)c1nc(C)ccc1B(O)O	2005014827	RGFYHKZOPVZPHW-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
CCN(CC)CCCOCCOCC(=O)NN	2007020096	JQNGULBBAOYUHA-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](n3cncn3)C2)CC(=O)O1	2012285266	XITNLPZYDWTXLJ-OCAPTIKFSA-N	236.231	-0.633	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@H](C)[C@H](C)C(=O)NN	2014232074	AOMYORAQDCYPML-ZRUFSTJUSA-N	240.351	-0.221	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1ncncc1B(O)O	2016812462	PTXPVIOMYDLWTF-JGVFFNPUSA-N	239.059	-0.802	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC12CC(F)(F)C2	2021116032	SNXPSRHSGQLUGZ-ZETCQYMHSA-N	243.018	-0.447	50	10	BBGE	
CC1(C)C[C@H]1OCCn1cc(C(=O)NN)nn1	2023141576	BVGJGUFAVXBAEA-MRVPVSSYSA-N	239.279	-0.303	50	10	BBGE	
Cn1cnc2c1CCN(C[C@H]1C[C@@H]1C(=O)NN)C2	2050967300	NWYMLBUIGLWHLP-BDAKNGLRSA-N	249.318	-0.596	50	10	BBGE	
CCN1CC[C@@H](N(C)c2ccc(B(O)O)cn2)C1	2052466306	HGQJQRMAEKNIIJ-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
CCOc1c(B(O)O)cc(C#N)cc1[N+](=O)[O-]	2060211905	JKILDHMVMNMLHO-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1O[C@H]2C=C[C@H]1C2	2079010232	NQMGXRILOAEUIH-QWRGUYRKSA-N	245.043	-0.549	50	10	BBGE	
COC(=O)CSCc1cccc(B(O)O)c1	2211135653	UPCKVYOVXABFPC-UHFFFAOYSA-N	240.089	-0.227	50	10	BBGE	
COC[C@H]1CCN(C(=O)C(=O)NN)C1(C)C	2211681749	CIJUJNUGQMHXKT-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
C[C@]1(O)CON(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838950	NXOYIMGWLNPRIU-KHQFGBGNSA-N	229.280	-0.999	50	10	BBGE	
Cn1nnnc1SCC1(C(=O)NN)CCC1	2212248339	WINVBWHYDDIQTD-UHFFFAOYSA-N	242.308	-0.538	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1ccc(B(O)O)cn1	2212607433	ATKLLABSIPGGIO-SFYZADRCSA-N	224.069	-0.734	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)ccn1)C1CC1	2212615816	VEZILZSNJISVOH-SNVBAGLBSA-N	216.049	-0.415	50	10	BBGE	
OB(O)c1cncnc1S[C@H]1C2C[C@@H]3C1[C@@H]3C2	2216434885	PHPIXEWGRYCZJN-SHVZVANBSA-N	248.116	-0.097	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Oc1ncccc1B(O)O	2217168039	WFENPUIZCYKZTQ-DTWKUNHWSA-N	236.080	-0.734	50	10	BBGE	
C#CCN(c1cc(B(O)O)ccn1)C1CSC1	2217172166	HTLNEZFPWPXKMP-UHFFFAOYSA-N	248.116	-0.684	50	10	BBGE	
CNCCC[C@@H](C)Nc1ncccc1B(O)O	2217174388	YMORVELJEXYMOA-SECBINFHSA-N	237.112	-0.439	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CCC2(F)F)[nH]c1	2217176044	QORJFOANDGNKME-ZCFIWIBFSA-N	243.022	-0.965	50	10	BBGE	
CC1(C)C[C@H](Nc2ccc(B(O)O)cn2)CO1	2217176226	TWNOTJGMZLNEHS-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](COc1cc(B(O)O)c(C)cn1)NC	2217181322	OGMQALUWYJIXPW-SECBINFHSA-N	238.096	-0.553	50	10	BBGE	
CCC[C@H](COC)Nc1ccc(B(O)O)cn1	2217185030	SYQXMYACAHEHFI-SNVBAGLBSA-N	238.096	-0.012	50	10	BBGE	
C[C@H](CO)CCCNc1ncccc1B(O)O	2217202603	LFUBLLXTDDZXER-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
N[C@@H]1CC[C@@H](CNc2ncccc2B(O)O)C1	2217202999	OFVBGZZMXLRYCM-RKDXNWHRSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CCN[C@@H]3C2)c1	2220063334	LGOVNUGQGYLQID-WCQYABFASA-N	246.119	-0.840	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2NCC[C@H]21	2223637778	HAZVLMJLFLCUDO-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2C[C@H](N)C2)cc1B(O)O	2223647735	BQOJCRBQNNUVLK-MGCOHNPYSA-N	249.123	-0.969	50	10	BBGE	
CN(C)C1CC(CNc2cc(B(O)O)ccn2)C1	2223666504	JLFKLBJPOPCSGE-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
Cc1ncnc(C)c1Nc1ncccc1B(O)O	2223667551	STKMCNISIGZAKZ-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)C3)nc1	2223668616	ZEZLHEOCEHLJHI-JGPRNRPPSA-N	248.091	-0.747	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3OCCC[C@H]23)nc1	2223669022	FGFDONSAGKCSHU-OPRDCNLKSA-N	249.079	-0.864	50	10	BBGE	
Cc1nccc(CNc2cc(B(O)O)ccn2)n1	2223669029	FHYZCQHEQNURCA-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OC[C@H]1CCN(c2cc(B(O)O)ccn2)C12CC2	2223674660	QVYFNFIKGHDBIZ-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
O=S(=O)(NN1CCC1)N1CC(Cl)C1	2241353774	MHOQBSAVPZCROR-UHFFFAOYSA-N	225.701	-0.636	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1coc(B(O)O)c1	2243347890	RLUACWGOXNYYAR-ZETCQYMHSA-N	221.021	-0.758	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC12CC(F)(F)C2	2243349311	JJUSVIIVNGUFLA-ZCFIWIBFSA-N	228.991	-0.694	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)[C@@H](C)CO1	2243357131	RPNFQIZTDVLQLX-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
CC(C)[C@@H]1CCC[C@@H]1NC(=O)C#CB(O)O	2243362773	WHCDJTKASPWUKM-UWVGGRQHSA-N	223.081	-0.057	50	10	BBGE	
NC1(CNC(=O)C2(B(O)O)CC2)CCCC1	2243364297	UVVVYARUMBMZPA-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C=CCNC(=O)c1ccc(C)c(B(O)O)c1	2243366518	DGUHELFNLVJYKF-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
CCONC(=O)c1cc(Cl)cc(B(O)O)c1	2243366932	KVJDCQPNZQNDTJ-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243377675	DYSGRSLNUVMAFV-WDSKDSINSA-N	240.093	-0.649	50	10	BBGE	
CN(C(=O)c1sncc1B(O)O)C(C)(C)C	2243385038	BKHFOCWABGDEIL-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CCCOC1	2243385399	IFUAURZISIUTKH-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
O=C(NC1[C@H]2COC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2243395658	AJHAQZDOQYOPIV-XAMCCFCMSA-N	225.053	-1.000	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243396907	SKBFZUMKZVSVMM-HRDYMLBCSA-N	225.053	-0.737	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243404213	KZRRXOYAAPMXDT-HRDYMLBCSA-N	229.085	-0.628	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243408626	QUFCMODNOPKIHR-HTQZYQBOSA-N	226.085	-0.763	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)c(C)s1	2243416574	LMUPRHKDZKXCNV-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
O=C(NCC1CCC1)c1cc(B(O)O)cs1	2243420347	QWMGHRBLBBIYFU-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243426080	DPGFKGRFZVYCIQ-OYNCUSHFSA-N	227.069	-0.874	50	10	BBGE	
C[C@H]1CCCC[C@]1(O)CNC(=O)C#CB(O)O	2247738644	TXPWNKYNKCCGAL-ONGXEEELSA-N	239.080	-0.941	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC[C@@H]2C[C@H]12	2247742186	LPTOEZAAAHHIIB-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247757299	QNZMQYHJJAOIPB-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)C(F)F	2247770932	SETGYFDBZHNANM-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787345	NVRSSFTWSOPRJY-AXTSPUMRSA-N	243.112	-0.237	50	10	BBGE	
N[C@H]1[C@H]2CC[C@H]1N(C(=O)C1CC(B(O)O)C1)C2	2247799995	KDKNOIGZLVRQID-GCPOWRFASA-N	238.096	-0.813	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCOCC1	2247805063	ARIZSLSUCKNDPN-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
O=C(Nc1nccc(O)n1)[C@H]1C[C@H](B(O)O)C1	2247809626	QHGVMHOQSWNWTO-IZLXSQMJSA-N	237.024	-0.626	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1cc(B(O)O)c[nH]1	2247847781	BNUQJYITFBIYOS-HTQZYQBOSA-N	236.080	-0.530	50	10	BBGE	
NCC1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247860214	TVSFDCFWQNHSTK-MGCOHNPYSA-N	240.112	-0.563	50	10	BBGE	
Cc1cc(C(=O)NC2CC(C)C2)oc1B(O)O	2247860467	XHDQZZJWEYWQCA-UHFFFAOYSA-N	237.064	-0.204	50	10	BBGE	
O=C(Nc1nccs1)c1ncccc1B(O)O	2247866706	QSBHRJPEUMRIHK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ccoc2B(O)O)C1	2247867886	ABUPBWOZPLBAIF-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2247867955	BIJXHSJOPSZQTQ-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cncc(B(O)O)c1	2247874387	LLEMYFQGPGHVKX-XVKPBYJWSA-N	234.064	-0.758	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H](B(O)O)C2)nn1C	2247895587	UFUOLTGWJACBSE-LJGSYFOKSA-N	238.056	-0.685	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900462	WYQCVJLXCDKFCZ-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@H]1B(O)O	2248576959	KMQFKCKBMYXUIW-PRJMDXOYSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@H](F)CCNC(=O)C1(B(O)O)CCC1	2248587066	LEKDXJDRJRLWIG-ZCFIWIBFSA-N	247.031	-0.688	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)[C@]12C[C@H](CO1)C2	2249344048	VVPKAXMBAVHOFR-DKTWLAJQSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cocc1B(O)O	2249419541	IEAVGZUTSYLVSI-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
Cc1cccnc1NC(=O)c1ccoc1B(O)O	2255467109	IRIRNRBQQXYLQG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@H]2C1	2255488967	MKWCRNQGEPEDNY-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@H]2C[C@@H]21	2255511660	NAVMZGSLEIPRNC-ONGXEEELSA-N	245.087	-0.091	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N(C1CCC1)C1CC1	2255548169	SABIFNXKHTYXHF-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1C[C@@H]2CCCC[C@@H]21	2255555007	UZPZJXVPJJMWBU-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ncccc1B(O)O	2255689909	RWRLGWMXILESIA-UHFFFAOYSA-N	248.091	-0.297	50	10	BBGE	
Cc1ccn(NC(=O)c2cc(B(O)O)oc2C)c1	2255737202	BDCUWIZDDBWNEZ-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@@H]3C[C@H]3C2)c(B(O)O)c1	2255792897	OWAAIKPCCHYXFK-IUCAKERBSA-N	246.075	-0.838	50	10	BBGE	
C#CCC(=O)N1CCc2ccc(B(O)O)cc2C1	2256599441	DNSLOJSHPPMIOY-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1cc(B(O)O)co1	2258154983	NJSKGVGORFKCRN-PRHODGIISA-N	249.075	-0.121	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@@H](O)C[C@H]2C1	2297962584	FWJMJHFIGXYNAU-MFDAYCCISA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	2298167895	GDCYJODMRJMQHE-XKNYDFJKSA-N	237.303	-0.129	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]1B(O)O	2298369810	GLSJMQRVMAFHPA-JDDHQFAOSA-N	239.080	-0.515	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1C[C@@H]1B(O)O	2298369902	IMSQTJMPDXVAMG-AXTSPUMRSA-N	241.096	-0.341	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nnc3n2CCC3)C1	2303124515	NEXURWZAKYOTCY-QMMMGPOBSA-N	236.084	-0.727	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3CC[C@H]32)ncc1F	2303846935	ABSHSWSAHMOHFH-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cc1C#N)C1CNC1	2317164731	CYBZWMUMRROHKC-MRVPVSSYSA-N	245.091	-0.742	50	10	BBGE	
COC[C@H](C)COc1ccc(B(O)O)cc1C#N	2317166844	ZYYMUFPPLCNNQV-VIFPVBQESA-N	249.075	-0.101	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1C=CCN1	2317205440	FAVIOOCSWOKVNL-NSHDSACASA-N	244.059	-0.855	50	10	BBGE	
C[C@H]1CNC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317311891	XLCQXUCMSJBOKD-UFBFGSQYSA-N	248.091	-0.801	50	10	BBGE	
C[C@H](O)C1(Nc2ccc(C=O)c(B(O)O)c2)CC1	2317348053	HMXRWDHWVWPSGJ-QMMMGPOBSA-N	249.075	-0.496	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCCc1ccccc1B(O)O	2319322904	ISLRXMIRLYFMNV-NSHDSACASA-N	245.087	-0.399	50	10	BBGE	
CN(C)C(=O)CNC(=O)NC(=O)CCl	37225693	ORECNJLMXGYIAA-UHFFFAOYSA-N	221.644	-0.861	50	10	BBGE	
COc1ccccc1C(=O)NNC(=O)CN	49819120	QARIAKLEVNLTAF-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN2CCC[C@@H]2C1	82469360	VTUYFYUCACFSNB-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
COCCN(CCCC(=O)NN)C1CC1	82470011	ZPQNIBRGSZOBBN-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCNC(=O)[C@H]1C	82476167	FDFADVNCMYBZIK-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
O=C1CC[C@H](NC(=O)NC(=O)CCl)CN1	82516167	VCQMFKQERUTZMM-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
O=C1CN(CC[C@@H]2CCCO2)CC(=O)O1	111218199	VHVCDUSCRJFVMV-QMMMGPOBSA-N	213.233	-0.059	50	10	BBGE	
CN(C)[C@@H]1CCN(Cc2ccccc2B(O)O)C1	203116907	UVDMEBQSQYTUNJ-GFCCVEGCSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1cccc(OCc2ncccn2)c1	203222439	ACOVIUCGQFSIHZ-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CCCNC(=O)Nc1ccc(B(O)O)cc1	204717707	SYWLHTOKCNXEGX-UHFFFAOYSA-N	222.053	-0.102	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(C(=O)CCl)C1	235394655	KRYUFNPQRJHRPC-MRVPVSSYSA-N	204.657	-0.051	50	10	BBGE	
CCOC(=O)/C=C(\N)NNC(=O)OCC	238277385	DYQIEFWRJYTFIL-AATRIKPKSA-N	217.225	-0.400	50	10	BBGE	
COC(=O)[C@@H](Cl)CN1C(=O)CCC1=O	238358577	DDIZEMAXGJPOHN-YFKPBYRVSA-N	219.624	-0.084	50	10	BBGE	
O=Cc1cccc(OCCF)c1B(O)O	238614704	YAJKNJYJLJJYTQ-UHFFFAOYSA-N	211.985	-0.473	50	10	BBGE	
OB(O)c1cnc(N2CCCC2)cc1F	238653332	GMOCHANAAXDWKV-UHFFFAOYSA-N	210.017	-0.499	50	10	BBGE	
O=CC(=O)[C@H](Br)[C@H](O)C=O	238691350	IBTSLGSTYHJGDR-NQXXGFSBSA-N	208.995	-0.922	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1CN(C)C	251711346	YHTKDVZIUPUZSA-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)CO	252804183	CTOYWZSAAGGPON-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H](CO)O1	299959884	IUSUOKZRSUUNSM-KYXWUPHJSA-N	245.323	-0.918	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)CCO1	299993606	BSRYAAVPOMTJNL-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C/C(Cn1ncccc1=O)=N\NC(N)=O	308675735	NIUKNHQKIYYGJQ-IZZDOVSWSA-N	209.209	-0.713	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	373080335	NERBHPAJTVNBMP-PRJMDXOYSA-N	242.275	-0.528	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1C	380730996	VCKGOAQJLFZAAT-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CC(C)C1(O)CN([C@@H](C)CC(=O)NN)C1	383994141	PXYMKEIHCYVFFL-QMMMGPOBSA-N	215.297	-0.542	50	10	BBGE	
O=C1CN(CCCN2CC=CC2)CC(=O)O1	392810472	AUPQCRFELGKDNX-UHFFFAOYSA-N	224.260	-0.366	50	10	BBGE	
CC(=NNC(N)=O)[C@H]1COCC[C@]1(C)O	394700636	CXFDDOZNGWTUKH-APPZFPTMSA-N	215.253	-0.182	50	10	BBGE	
N#Cc1ccc2scc(CO)c2c1B(O)O	396219145	KCPVAXUKLDXHIE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCO2)cc1	584599923	AKPVXVNHSYMKPR-SNVBAGLBSA-N	208.022	-0.466	50	10	BBGE	
CC1(C)COC[C@H]1NCc1ccccc1B(O)O	585044441	ITXVHOBRAAGJDN-GFCCVEGCSA-N	249.119	-0.119	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1COC[C@H]1C	688141895	AUFINTGSWIQUIP-RGOKHQFPSA-N	229.324	-0.032	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccnn1C	689551914	JYLKOFSAIYWXOV-SECBINFHSA-N	225.296	-0.380	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSC[C@@H]1CCO	689850632	OKFMMDCMVMJFIR-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
CO[C@H](CNC(=O)C(=O)NN)C1CCCC1	692949576	KKZHOHAFABLABH-MRVPVSSYSA-N	229.280	-0.702	50	10	BBGE	
COC[C@@H](O)CN(C)[C@H](CC(C)C)C(=O)NN	695061093	MPDIQVCDPUSPMT-VHSXEESVSA-N	247.339	-0.670	50	10	BBGE	
CN(C)c1ccc(C(=O)NNC(N)=S)cn1	700853471	XZPCPYWTRCBCSP-UHFFFAOYSA-N	239.304	-0.374	50	10	BBGE	
NC(=O)NNC(=O)C(F)(F)C(F)F	700887418	MEACDDXRNCIIIK-UHFFFAOYSA-N	203.095	-0.414	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@H]2NCCN[C@@H]2C1	706210788	AWOPWJFSWURQGV-OPRDCNLKSA-N	226.324	-0.691	50	10	BBGE	
CC[S@@](=O)N1CCc2cccc(B(O)O)c21	712243805	JCJZSMOZOZHGIH-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
CN1CCN(CCn2cnnn2)[C@H](CCl)C1	712600643	YQZWFQMZALHOIR-SECBINFHSA-N	244.730	-0.472	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](F)[C@H](F)C1	714558879	RROZNRWGHXEMDW-BWZBUEFSSA-N	221.251	-0.007	50	10	BBGE	
CC(C)(CN1CCS[C@@H](CO)C1)C(=O)NN	720071995	YPUURLOQYIMELX-MRVPVSSYSA-N	247.364	-0.588	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)O	721772101	VMBISQAKMINGJO-CSMHCCOUSA-N	227.264	-0.175	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C=CS[N]1	725711716	RSBDPQQIDQESNF-SECBINFHSA-N	249.080	-0.547	50	10	BBGE	
O=C(NN=C[C@H]1CCCOC1)[C@@H]1COCCO1	814860180	CRDKTALFZYPVKD-ZJUUUORDSA-N	242.275	-0.070	50	10	BBGE	
CON1CCC(CC(=O)NN(C)C(N)=O)CC1	831519016	JAHHACQORHZSHG-UHFFFAOYSA-N	244.295	-0.308	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C\[C@H]1CCOC1	1138284544	RZFWDLGZQWKMEU-VEMNSZJBSA-N	242.275	-0.503	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1cccnn1	1462492669	JMBDHGSQFHSNIO-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)Cc1cnc[nH]1	1540424226	NSPVGVWSWIJMQL-UHFFFAOYSA-N	247.258	-0.248	50	10	BBGE	
Cn1ccc(CC(=O)NNC(=O)c2cn[nH]c2)n1	1587135289	BYPFNODMRCFMBX-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)C(C)C	1587203119	BWOYUBWSIQVORZ-MRVPVSSYSA-N	213.281	-0.116	50	10	BBGE	
O=C(Cn1c(O)nnc1O)NNc1ccccc1	1596961118	GCCBCYGWYLJMGR-UHFFFAOYSA-N	249.230	-0.167	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NN(C)C(N)=O	1630877662	BOBAHPLAYYCMTF-ZETCQYMHSA-N	216.285	-0.384	50	10	BBGE	
O=C([C@H]1C[C@@H]1Br)N1CCNNCC1	1883538227	RPZBNMDQRQCCDO-BQBZGAKWSA-N	248.124	-0.294	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cnc[nH]1	1884831610	RTBDOYAVOCQDLU-LURJTMIESA-N	233.680	-0.071	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@H](O)CCl	1888374610	TUFCJMOFCYGGPH-SECBINFHSA-N	222.716	-0.004	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@H]1CF	1888819899	XQMVEYSBSPBESX-JGVFFNPUSA-N	203.261	-0.096	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CNC(=O)C1	1893497250	DNFDILPOAHANTK-INIHDHCDSA-N	216.624	-0.687	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1894058143	WQCOKLQTUWZIIB-RYPBNFRJSA-N	213.281	-0.790	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]1CF	1896771487	CCEDQAPJMKQBEU-YUMQZZPRSA-N	225.028	-0.866	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	1897344535	XGXBOLDMQVIJIB-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CCl)CN1C[C@H](O)[C@H](O)[C@H]1CO	1900167447	XBZMYRPPAOSLMX-LURQLKTLSA-N	223.700	-0.740	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)C1(B(O)O)CC1	1900269344	APYXKNDUAFQUEO-ZETCQYMHSA-N	228.101	-0.517	50	10	BBGE	
CN(C)S(=O)(=O)N1C[C@@]2(N=C=O)CC[C@H]1C2	1901253298	JGKBWAJSBDEPPJ-DTWKUNHWSA-N	245.304	-0.265	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H](N)C1CC1	1901344113	LJUCGVMZHZZYMW-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1c[nH]c(=N)o1	1901376036	UXBLVGBXLBKRJI-UHFFFAOYSA-N	248.264	-0.987	50	10	BBGE	
Cc1ccnnc1CN1CC[C@H](B(O)O)C1	1902550233	ICPRUICUSCRJQB-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
COC(C)(C)C1(NC(=O)C#CB(O)O)CC1	1902969709	QYBMNCSTMGYVLO-UHFFFAOYSA-N	225.053	-0.924	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1C[C@@H]2C[C@H]2C1	1913664801	XCTIDKYRLHYWQC-YUMQZZPRSA-N	247.063	-0.755	50	10	BBGE	
CC[S@](=O)(=NCC(=O)NN)C(C)C	1913872908	YUYQJDMGCIUAQY-CYBMUJFWSA-N	207.299	-0.127	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1occc1C(=O)NN	1914257650	VOEALTKXSRVPRN-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
COCC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	1916281257	KJQGNEUQIHFQOO-YUMQZZPRSA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)c1coc(CN2CC(F)(F)C2)n1	1917243856	XZKFDMHDCCUFPR-UHFFFAOYSA-N	232.190	-0.271	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]21	1928151842	PRFNGDUPZMPORS-BIIVOSGPSA-N	211.265	-0.471	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC(C)C1	1928280541	FNEUEDPYNFMZOL-AMDVSUOASA-N	215.297	-0.278	50	10	BBGE	
Cc1ncc(OCC(F)F)cc1B(O)O	1929657437	LZKUSKDGPGJNLF-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1C(=O)C(=O)NN	1929668122	MELIEFJMYRFDMT-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cnc([N+](=O)[O-])c1	1935941111	IBJJEBMNULVDGY-UHFFFAOYSA-N	235.150	-0.584	50	10	BBGE	
CCOc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1936091107	NITUWOZZSKHONF-IONNQARKSA-N	224.264	-0.092	50	10	BBGE	
CN1CC[C@H](N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1936093867	IGKHFMLRKFMSGB-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2OCC[C@H]2C1	1941086537	JIRWXUGPBGIDJD-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
N#CC1(O)CCN(CCN2CCNCC2)CC1	1942973233	CAMGFEYIULWACI-UHFFFAOYSA-N	238.335	-0.758	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)CC(=O)CCl	1952624858	CTXMSKZXPQDUDW-LURJTMIESA-N	228.697	-0.020	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1CNC(=O)C(=O)NN	1960024285	PCFWYYPBOKUMPY-CRCLSJGQSA-N	221.207	-0.616	50	10	BBGE	
COC1(CF)CN([C@@H](C)CC(=O)NN)C1	1961043317	QGDLBSQREWHHQB-ZETCQYMHSA-N	219.260	-0.575	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)OCCl	1975007229	LQEICMQMRDUPFL-JWXFUTCRSA-N	239.655	-0.989	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)c1cc(O)ncn1	1979154692	VPCBZHFUHUZHNE-VDTYLAMSSA-N	243.650	-0.082	50	10	BBGE	
NNC(=O)CN1CC[C@@](CO)(C(F)(F)F)C1	1979889767	HCJJHDCQYPZDKH-SSDOTTSWSA-N	241.213	-0.777	50	10	BBGE	
COCCCOc1ncc(B(O)O)cc1F	1981421257	XMGRIIBZYIYVGX-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CC[C@H](C2)O3)n1	1981470347	ALPZNRKZXWCXBX-KNVOCYPGSA-N	240.093	-0.810	50	10	BBGE	
OB(O)c1cnn(CCCOCC2CC2)c1	1986617902	VADGSUHFQPLIKT-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NCC=CB(O)O)CO1	1991332321	AOMTUFMJJSVKDZ-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
C=C(CN1CC[C@@H](CN(C)CC)C1)B(O)O	1992145203	JGSFNVCZUOJACR-NSHDSACASA-N	226.129	-0.172	50	10	BBGE	
Cc1nc([C@@H]2CCN2CCCC(=O)NN)no1	1997764135	FQEREYNCEXGRCW-QMMMGPOBSA-N	239.279	-0.105	50	10	BBGE	
CCCOCC1CN(CCOCC(=O)NN)C1	2001339712	KADJOJGDUGYFMW-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
COCCCOCc1nn(C)cc1C(=O)NN	2003510591	XQDXUXDGRLTTMN-UHFFFAOYSA-N	242.279	-0.423	50	10	BBGE	
CCN(C[C@@H](C)OC)c1ncncc1B(O)O	2004916787	PZSWHFDKRILHIH-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
CC[C@@H]1CCCN1c1ncc(B(O)O)c(C)n1	2004974860	QDTFQFFXUDWMPZ-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
C[C@@]1(CCO)CCN(CCOCC(=O)NN)C1	2014778387	CRBLJQQNIIWUMU-NSHDSACASA-N	245.323	-0.913	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)[C@H]1CCOC1	2014927347	ZNSBIAUYTNJUHT-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(CC2(C(=O)NN)CC2)C1	2016013702	OJYCWDJCWDIELB-DTWKUNHWSA-N	245.298	-0.185	50	10	BBGE	
Cc1nc(N2O[C@H]3C=C[C@H]2C3)ccc1B(O)O	2021855199	XMCWZZLAUJVINI-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1CO	2025431631	HBRQJFZUSPPSAQ-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@@H]2C[C@H](C1)O2	2077861235	HBQHDNDPYJYZDE-BETUJISGSA-N	247.103	-0.352	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2	2079012166	POKUUONSXRGTAE-GWCFXTLKSA-N	245.087	-0.152	50	10	BBGE	
CCNc1ncc(Br)cc1B(O)O	2209387902	NXCJHGKLRDWXSN-UHFFFAOYSA-N	244.885	-0.044	50	10	BBGE	
C[C@@H](CCCl)NS(=O)(=O)N1CC(O)C1	2210088282	DKLHGHJRQUJBCY-LURJTMIESA-N	242.728	-0.485	50	10	BBGE	
Cc1cnc(N[C@@H]2CC2(F)F)cc1B(O)O	2212603489	GVEZFPBFBQDHPM-SSDOTTSWSA-N	228.007	-0.111	50	10	BBGE	
OB(O)c1ccnc(NC2CC(F)C2)c1F	2212603860	KANYYTXWAQDOOU-UHFFFAOYSA-N	228.007	-0.187	50	10	BBGE	
C=C[C@H](CO)Nc1cc(B(O)O)c(C)cn1	2212604523	PVJJAKLWVKNDBM-MRVPVSSYSA-N	222.053	-0.971	50	10	BBGE	
C#C[C@@](C)(CC)Nc1cc(B(O)O)ccn1	2212615806	VDWSNQIWXXHMKE-NSHDSACASA-N	218.065	-0.025	50	10	BBGE	
Cc1ncnc(OC[C@@]2(F)C[C@@H]2C)c1B(O)O	2214487453	ARRHSBWNOPBXTH-WKEGUHRASA-N	240.043	-0.408	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2216494987	IYXOQBHJDHTDJE-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1ccc(NCC2[C@H]3COC[C@H]23)nc1	2217179233	IHQJJUNZJBHGTK-NXEZZACHSA-N	234.064	-0.934	50	10	BBGE	
C[C@H]1C[C@@H](Oc2nccc(B(O)O)c2F)CO1	2217190463	NMNMCJFTXYVPKV-NKWVEPMBSA-N	241.027	-0.543	50	10	BBGE	
CN(Cc1cncs1)c1cc(B(O)O)ccn1	2217199207	KUFICJUYESEHPD-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Nc1cc(B(O)O)ccn1	2217199586	NMTSMTQLVFXWOO-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
N[C@H]1CC[C@@H](CNc2ncccc2B(O)O)C1	2217202997	OFVBGZZMXLRYCM-BDAKNGLRSA-N	235.096	-0.699	50	10	BBGE	
C=C(C)CN(c1ncc(B(O)O)cn1)C1CC1	2217204400	JGDHJYHKWKFXSU-UHFFFAOYSA-N	233.080	-0.299	50	10	BBGE	
C[C@]1(F)C[C@H](Cn2cc(B(O)O)cnc2=O)C1	2217410328	DPRMQQISOWVUOJ-GVJMRKKJSA-N	240.043	-0.939	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@@H]1CN	2223632892	PJICIDYKVJGTBJ-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
CN(C)CCNS(=O)(=O)N1CC(Cl)C1	2241354094	RQBLEVSFEMVXEX-UHFFFAOYSA-N	241.744	-0.695	50	10	BBGE	
C[C@H](CF)NC(=O)C1CC(B(O)O)C1	2241481452	VAGAVPFJCSIKED-GRQBKTHUSA-N	203.022	-0.286	50	10	BBGE	
C[C@H](O)C1CN(C(=O)C2(B(O)O)CCC2)C1	2243346577	AUKXZLXGBCHULO-ZETCQYMHSA-N	227.069	-0.777	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)c[nH]1	2243349942	SSZIJYUVTWQYNT-QMMMGPOBSA-N	220.037	-0.857	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccsc1B(O)O	2243359983	ZFIPUIWKHWTBHF-BDINMYNLSA-N	237.089	-0.434	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)O1	2243365585	OOVWYBQYUMTZRB-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NN1CCC1	2243372474	HIFJAROXTJKCDG-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
CC[C@H](C)CNC(=O)c1sncc1B(O)O	2243384989	APDPMKWQTPLYIS-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243390825	BVSLPTKEWBQBPP-JBDRJPRFSA-N	226.085	-0.894	50	10	BBGE	
CCC(CC)(CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243396219	JFPFESCOGQYJFL-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
CP(C)(=O)[C@H]1CCN(C(=O)C#CB(O)O)C1	2243398854	HXUJIKXJUDONRD-QMMMGPOBSA-N	243.008	-0.775	50	10	BBGE	
Cn1cc(C(=O)OC(C)(C)C)c(B(O)O)n1	2243448123	ZHLIHJVQYHWSGM-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
C[C@H](CF)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	2244133632	YHIRKQXGDCVKRU-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
Cc1cc(NC(=O)c2coc(B(O)O)c2)on1	2247734979	XBDIFZYWVAJYNE-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CC(C)CCONC(=O)c1cc(B(O)O)c[nH]1	2247740892	RCZQHSGMNHSFAK-UHFFFAOYSA-N	240.068	-0.598	50	10	BBGE	
CCCONC(=O)c1ccc(B(O)O)c(C)c1	2247752392	ONESUROTOFGYCY-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1C(=O)C1(B(O)O)CCC1	2247753377	GFLYQJIRYCYXLS-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247754228	CUJYZMILPSOMPF-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](CCCO)C1	2247840976	CYKZHXRNDFVZIO-SNVBAGLBSA-N	239.080	-0.987	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1ccc(B(O)O)o1	2247841301	HLBRHYLJRODDGK-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C=CCC1(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2247849663	CWKRZNHGOCYDTQ-UHFFFAOYSA-N	234.064	-0.467	50	10	BBGE	
O=C(N1C[C@H]2CC[C@]2(CO)C1)C1(B(O)O)CC1	2247857497	VLBMBGQDBZNOGP-PSASIEDQSA-N	239.080	-0.776	50	10	BBGE	
CC1(CF)CN(C(=O)c2occc2B(O)O)C1	2247871568	DHGMUAGLJOHJNE-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)no1	2247894038	BPDYCHPHZCUMPT-RKDXNWHRSA-N	238.052	-0.196	50	10	BBGE	
CCN1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897145	OPDMJKGLCMPJTG-UTLUCORTSA-N	240.112	-0.693	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H](C1)OC2)[C@H]1C[C@H]1B(O)O	2247898694	HAMUSTCDFYHZHD-CKEKPRIKSA-N	239.080	-0.323	50	10	BBGE	
O=C(NC[C@@H](O)C1CCC1)[C@H]1C[C@H](B(O)O)C1	2247899276	LZFREVDTFKLASU-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)C(=O)C1CC(B(O)O)C1	2247904908	RKYRSSFWXUSCHI-LRHRNSLUSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2CC[C@@H]2C1=O)C(=O)NN	2248080620	IPJBJIGALYWRCL-BQBZGAKWSA-N	239.275	-0.603	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C[C@H](C)O)c1	2248437425	AFWXFRYAQJIYSO-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C(=O)O	2248588305	BAHWCTBRPJSDMA-RULNZFCNSA-N	241.052	-0.829	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C(=O)O)C1CC(B(O)O)C1	2248590010	XWXCTYYYBVDDFB-ZPFXWGDGSA-N	241.052	-0.924	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@H]1CCCN1	2249851119	DZTXINKFVPHIRH-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCN1	2249945595	QCZYLTYRJVAAMG-SEZDTBSWSA-N	240.112	-0.504	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)C1(B(O)O)CC1	2251563456	VYKRPAOHGZBCFA-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
Nc1ccccc1NC(=O)c1ccc(B(O)O)o1	2255464583	YISSWKQRLCMCBM-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1occc1B(O)O	2255481846	MMFPDSWRWZRXAY-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1occc1B(O)O)N1C(=O)[C@@H]2CCC[C@@H]21	2255490945	PKGTYGYRJWFJCD-SVRRBLITSA-N	249.031	-0.890	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)c1ccoc1	2255549423	GWABZDCAVDNWPN-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
C[C@]1(NC(=O)c2c[nH]nc2B(O)O)C=CCCC1	2255550283	KVTXERHXTKXDMR-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1cc(B(O)O)n[nH]1	2255550460	XOVPIEGFHAAPRO-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
C=CC1(NC(=O)c2ncc(C)cc2B(O)O)CC1	2255556922	XBJWGCXREMETBU-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1ccoc1B(O)O	2255715254	CMVDTUVPBPLBTH-DIYOJNKTSA-N	249.075	-0.265	50	10	BBGE	
C=C1CCCN(C(=O)c2ncccc2B(O)O)C1	2255715433	FQESWPOSZIUDCW-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC[C@H]2C[C@H]21	2255720785	QDSQIARWZKHYKZ-OIBJUYFYSA-N	249.050	-0.260	50	10	BBGE	
C#CCCN(C)C(=O)c1nc(C)ccc1B(O)O	2255732499	VZFNTEPRSPUNSN-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255936875	NDXNUOYJWFZBFY-MRVPVSSYSA-N	249.075	-0.446	50	10	BBGE	
CCc1c(C(=O)NCCC#CB(O)O)cnn1C	2258956397	XTINDGZIFYNVOF-UHFFFAOYSA-N	249.079	-0.882	50	10	BBGE	
C#CCOC(=O)NCc1ccc(C)c(B(O)O)c1	2264093317	KFJUTHLWYSEIGO-UHFFFAOYSA-N	247.059	-0.466	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21	2298367368	CECWLGVDXYASPK-KUNJHIDRSA-N	233.076	-0.447	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)CCO1	2298370798	MXLSTJOYIDBHBB-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2298375013	KSKXUQZHUYHIFT-IGORNWKESA-N	238.096	-0.752	50	10	BBGE	
CC1(CO)CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300368422	FIOQSHTZEOTEMA-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
CN[C@H](C)CNc1ccc(B(O)O)cc1C#N	2301346253	OWGAHGNIKGEFDA-MRVPVSSYSA-N	233.080	-0.742	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2302022803	DBCJNHXFBQSKBJ-VGMNWLOBSA-N	243.112	-0.239	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(=O)NC[C@H]1C	2302050819	UQJHAYMJMOGUJW-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@](C)(OC)C(=O)N1CC[C@H](B(O)O)C1	2303111725	MGBHMZWLFHGOJK-WCBMZHEXSA-N	245.084	-0.887	50	10	BBGE	
Cc1nc(CN2CC[C@](C)(B(O)O)C2)n(C)n1	2303136086	ODCDDBAEKKSFFH-JTQLQIEISA-N	238.100	-0.438	50	10	BBGE	
CC[C@](C)(CN1CC2(CC[C@@H]2O)C1)C(=O)NN	2303426620	PLDKXJCIGCVAJB-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1CCOCC(=O)NN	2304253831	TWIRQSJPUZJCSL-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2CC(F)C2)n1	2307278922	LGKMZJFDHKBMFG-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
CNC=C(C#N)C(=O)N1CCN(C(C)=O)CC1	2318466876	APCVIIDGAOFNNP-UHFFFAOYSA-N	236.275	-0.696	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2321008090	GKHMTIVIELGTTK-ONGXEEELSA-N	248.091	-0.236	50	10	BBGE	
Cn1nnc(CC(=O)NN=Cc2ccc[nH]2)n1	2325902653	AMDBPBWZXPQSFG-UHFFFAOYSA-N	233.235	-0.769	50	10	BBGE	
O=C1CC[C@H](NC(=O)CCl)C(=O)N1	82256653	NYESXGKCMBKZEM-BYPYZUCNSA-N	204.613	-0.853	50	10	BBGE	
C[C@@H](Oc1ccccc1C(N)=O)C(=O)NN	82464231	YIPICEXZKLBQKT-ZCFIWIBFSA-N	223.232	-0.457	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)CC1	82466111	SDNSOJRRFQFWJS-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
O=C(CBr)NC[C@@H]1COCCO1	82510817	CDAUHKQNZDRNJI-ZCFIWIBFSA-N	238.081	-0.087	50	10	BBGE	
CCC[C@H]1NC(=O)N(CCCC(=O)NN)C1=O	110597532	HAVYXZUSJAZAGW-SSDOTTSWSA-N	242.279	-0.523	50	10	BBGE	
CNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	125226771	WSOMJCSNDPCTPC-RFZPGFLSSA-N	226.685	-0.680	50	10	BBGE	
CN(C)NC(=O)Cn1cc(N)ccc1=O	133881197	XMKHOYMMPLSKJK-UHFFFAOYSA-N	210.237	-0.977	50	10	BBGE	
Cc1nc(N2CCCC2)nc(C)c1B(O)O	203749415	LANBGHONKNSCRY-UHFFFAOYSA-N	221.069	-0.627	50	10	BBGE	
Cc1cc(O[C@H]2CCOC2)ccc1B(O)O	216059380	NAJCVVVUTGUAIK-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@@H](C(=O)NN)C1	216920589	PFFVZYKJEFIQQP-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@@H](O)C1)C(=O)NN	230356990	KPIUPVGQWDNNHI-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1NC(=O)[C@H]1C(=O)NNC(=O)OC(C)(C)C	238478312	OOSVZQCWDLFRDA-WDSKDSINSA-N	243.263	-0.323	50	10	BBGE	
C[C@@H]1Cc2cc(B(O)O)ccc2S1(=O)=O	238492930	PVMQAEKPNKBWNW-ZCFIWIBFSA-N	226.062	-0.915	50	10	BBGE	
CN(N)C(=O)[C@@H](N)CC1CCOCC1	259008346	HLVIYFDYBXAGIL-QMMMGPOBSA-N	201.270	-0.538	50	10	BBGE	
O[C@H]1[C@H]2CO[C@H]1[C@H](CBr)O2	306202623	YOVIXEGZPWOBCY-FSIIMWSLSA-N	209.039	-0.092	50	10	BBGE	
O=C(CBr)N1C[C@@H](CO)[C@@H](O)C1	306322186	BYUCBIBHCUFMRD-WDSKDSINSA-N	238.081	-0.807	50	10	BBGE	
Nc1cncc(C(F)(F)F)c1B(O)O	306825656	XSOQPPWQYCOAPE-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OB(O)c1cc(O)c(Br)cc1F	307038145	HJSPJFNPWRKXCB-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
OB(O)c1cc(O)c(C(F)(F)F)cn1	307182720	VTAIKSMXDMHVIW-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](Cl)C#N)C[C@H]1O	307247210	ZPJVSFJOYVZDAU-XLPZGREQSA-N	204.657	-0.191	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@H]1COC	307763174	HSGFOFBGDIFKIB-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1ccc2c(cnn2C2COC2)c1	309156353	RFEONICLPXVGTQ-UHFFFAOYSA-N	218.021	-0.713	50	10	BBGE	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NN	394366782	RPTDLJWFSQWHHP-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
CCOc1ccc(CCC=O)c(B(O)O)c1	396096872	MZORJCNQVNYCML-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1[C@H](C)CC(=O)NN	402803481	YFCZTXPLFYLOAJ-ZJUUUORDSA-N	240.351	-0.077	50	10	BBGE	
O=C(C[C@@H]1CCCO1)Nc1ccccc1B(O)O	404952073	SXHKYCHDTRLGII-VIFPVBQESA-N	249.075	-0.126	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1	585037662	GIGJBLUUKNHXPA-MFKMUULPSA-N	249.119	-0.119	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(CCC(=O)NN)C1	687212446	IQDVJTHPGOKKAK-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@]12COC[C@H]1C2	689291531	ZTLMGYWZYOJELD-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
CC(C)(CN1CC[C@H]2COC[C@@H]2C1)C(=O)NN	690725376	YZESBHZCBNWKSE-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
COc1ccc2c(c1)CN(C(=O)C(=O)NN)C2	692929876	IECSAUGWGICQBW-UHFFFAOYSA-N	235.243	-0.473	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](C#N)C1	693907944	QYLAOJCBCSPTEG-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](CC(F)F)Cn1cc(B(O)O)cn1	694562474	DRWUQTNEGZAWRU-ZCFIWIBFSA-N	218.012	-0.146	50	10	BBGE	
CC(=O)N[C@H](Cc1cccc(F)c1)B(O)O	694947350	ZROGPUYEORHJLY-SNVBAGLBSA-N	225.028	-0.115	50	10	BBGE	
CC(C)c1nc(C(=O)NNC(N)=S)n[nH]1	700865032	CDEWQDXWQOGBMP-UHFFFAOYSA-N	228.281	-0.594	50	10	BBGE	
C[C@H](CN(C)C(=O)C(=O)NN)C1CCC1	700944763	OXDROOWTZZOMBA-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCn1cncn1	703424754	JBDDDSFEJMEIBC-HTQZYQBOSA-N	236.231	-0.806	50	10	BBGE	
CCOC[C@@H]1CCN([C@H](C)C(=O)NN)C1	708273204	NOLLVXQHRFIGKO-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](c2nccs2)C1	710597576	ZVXPQTDBXCDWCC-LURJTMIESA-N	240.288	-0.551	50	10	BBGE	
C[C@H](C(N)=O)N(C)S(=O)(=O)CCCl	711062969	XANKVMZNMCABPH-RXMQYKEDSA-N	228.701	-0.639	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21	712568587	RSDCCDQJBMBVMB-BIIVOSGPSA-N	211.265	-0.329	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@@H]3C2=O)nc1	715551446	UXTRSNVGFTUIIW-WPRPVWTQSA-N	246.270	-0.337	50	10	BBGE	
COC[C@@H](OCC1CCC1)C(=O)NN	719778463	PXCKNEXXLNNZCF-MRVPVSSYSA-N	202.254	-0.192	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ccncc1	746091552	DANVPDGLOMAHST-UHFFFAOYSA-N	245.242	-0.261	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CC1	770710204	HAWLEUGEZXEOFQ-XPUUQOCRSA-N	227.264	-0.096	50	10	BBGE	
O=S(=O)(CCl)NC[C@H](O)[C@@H]1CCCO1	859287586	NNXXETHLGRROFA-BQBZGAKWSA-N	243.712	-0.358	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	913014937	IHTJFCLAKZFEGX-YUBFUXFOSA-N	242.275	-0.362	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1ncccn1	929897511	RNTJRVGQGCAJCE-RNFRBKRXSA-N	208.221	-0.045	50	10	BBGE	
CC(=O)NNC(=O)c1coc(S(C)(=O)=O)c1	1346141825	OFEYBMQMOWLPQQ-UHFFFAOYSA-N	246.244	-0.536	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnn(C)n2)n1C	1453875471	TULFSGREAYRICD-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
C[C@H](C(=O)NN(C)C(N)=O)c1cnccn1	1466167506	IYRKJHSOGKNWTR-LURJTMIESA-N	223.236	-0.378	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cocn1	1596613542	VYBOGYJAZSTFHH-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
O=C(NNc1cccc(F)n1)[C@]1(O)CCOC1	1634908984	LVWPVXVHMGNORA-JTQLQIEISA-N	241.222	-0.185	50	10	BBGE	
CCc1nc(C)ncc1C(=O)NNC(=O)CO	1648686260	NWXKTTOPCDHXIX-UHFFFAOYSA-N	238.247	-0.899	50	10	BBGE	
COc1ccc(C)cc1S(=O)(=O)NNC=O	1858080928	XJOJZXPPAOCRRO-UHFFFAOYSA-N	244.272	-0.057	50	10	BBGE	
CCOC[C@@H]1CCC[C@H](C(=O)NN)O1	1877235569	CIYQLDLFDHQLMH-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CNNC(=O)CONC(=O)OC(C)(C)C	1879944713	DLVKZPMHKNJYJU-UHFFFAOYSA-N	219.241	-0.307	50	10	BBGE	
O=C(NCB(O)O)c1cscc1F	1881888345	HDDZHKFLTJNWEG-UHFFFAOYSA-N	203.003	-0.371	50	10	BBGE	
NNC(=O)CN1CC(SC(F)F)C1	1883495796	FCTCUHKYWYPQGR-UHFFFAOYSA-N	211.237	-0.384	50	10	BBGE	
COC(=O)c1nnn(CCN)c1CCl	1888110400	RVUOKNKKIJTYRY-UHFFFAOYSA-N	218.644	-0.238	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1888652473	PYFFISRXMXECIR-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
CC[S@@](=O)N1CC[C@@](C)(B(O)O)C1	1891518062	WRYLWFZLTKNIOM-FUXBKTLASA-N	205.088	-0.391	50	10	BBGE	
O=C(O)[C@@H]1CN(C(=O)F)CCS1(=O)=O	1894340829	YDRYZHDWHPHDQS-BYPYZUCNSA-N	225.197	-0.741	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1895242006	VOADZVQQZLCYOS-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
COC[C@H](OC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)C(=O)NN	1898198835	PNMBLOAFMHIADB-OKNNCHMLSA-N	226.276	-0.338	50	10	BBGE	
CN(NC(=O)C[C@H]1CC[C@@H](N)C1)S(C)(=O)=O	1901377144	KVONLTJISNRAMI-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
CC[C@](C)(COCC1CN(C)C1)C(=O)NN	1902706041	JZOZJKHIGLCYAL-LLVKDONJSA-N	229.324	-0.029	50	10	BBGE	
CC[C@](C)(CN1C[C@](C)(O)CO1)C(=O)NN	1902710781	YXPKRSJWEONONA-ZJUUUORDSA-N	231.296	-0.609	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@H]2F)[nH]cc1F	1903006873	ZDTUCZQRRVYISF-IYSWYEEDSA-N	228.007	-0.908	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1905689811	LGGZDIHTOLVBDD-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C=CS(=O)(=O)c1ccccc1	1911657669	WSBLZNGGOWCETA-UHFFFAOYSA-N	226.257	-0.036	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	1913606048	LOEIAGHTSUDKET-HTQZYQBOSA-N	234.064	-0.254	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(CO)CC1	1915531793	ORICRLGXAWPQGT-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CN1CCNC[C@@H]1C(=O)N1CC=C(C#N)CC1	1917086603	JWXVDDVLDNGSKW-LLVKDONJSA-N	234.303	-0.428	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1917551052	VHHRDPQHJPZNHN-FHNUBNKASA-N	210.277	-0.108	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)O	1931745515	UCCYSQZJBBRXPE-WDSKDSINSA-N	219.216	-0.330	50	10	BBGE	
NNC(=O)CCN1CC(C(F)(F)F)C1	1932135684	WBOFOMCTYLWJFG-UHFFFAOYSA-N	211.187	-0.140	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1936087932	IGKHFMLRKFMSGB-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H](CO)C1	1936093615	GCQZEBSNPMGADI-IVZWLZJFSA-N	227.308	-0.683	50	10	BBGE	
CC[C@@H]1CC(=O)CN1CC(=O)NNC(C)=O	1936676544	VPLYSQFWQXPJRQ-MRVPVSSYSA-N	227.264	-0.793	50	10	BBGE	
CN(C(=O)Cn1cncn1)[C@@H]1COC[C@H]1Cl	1937146727	RSJDAUAQURSPIF-HTQZYQBOSA-N	244.682	-0.257	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC(C)(C)CO	1938123339	YUGOHZJAEBSHMT-BDAKNGLRSA-N	229.324	-0.437	50	10	BBGE	
COCC(COC)OCC1(C(=O)NN)CC1	1938258202	HNSKJMXQGYHPEM-UHFFFAOYSA-N	232.280	-0.566	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CCC1(C)C	1939463861	FUSBJHUXXPIGNM-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)C[C@H]1C	1939638543	OXDMNHPURNPFOK-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941083351	PXNYNAYTNZRCJY-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)COCCOc1ccccc1CO	1941772067	DFTADBZISBIAEZ-UHFFFAOYSA-N	240.259	-0.436	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CN)C[C@@H]1C	1943685075	RPKAQZMXMYOLQY-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1C	1944324215	PVWDXWDZDQAFSL-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
CO[C@@H]1CCCN(CCOCC(=O)NN)[C@@H]1C	1949587030	AIRJOVGQKNPIIJ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCN(OC)c1nc(B(O)O)cs1	1954093511	MQIPZVLLFOMFDZ-UHFFFAOYSA-N	202.044	-0.789	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)[C@@H]2COC[C@@H]21	1955242106	UFDYFXZFPYGTCX-FKSUSPILSA-N	219.668	-0.168	50	10	BBGE	
CCN(CC(=O)NN)C[C@@H]1CCOC1	1956771385	XXVKGDLPSHJZSU-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H](F)C2)n1	1956966621	XYFCQOJMVAUMQW-RXMQYKEDSA-N	216.046	-0.629	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H]1CN(C)NC1=O	1957319269	TYWRCCNRNXSNTB-RITPCOANSA-N	219.672	-0.535	50	10	BBGE	
CN(C)NC(=O)N[C@H]1[C@H](C(=O)O)C1(C)C	1958817300	PWPVCUHBQWGCKE-RITPCOANSA-N	215.253	-0.129	50	10	BBGE	
Cn1[nH]nnc1=NCC[C@H]1COC[C@H]1Cl	1960669441	HNNYFFMMVOJMII-NKWVEPMBSA-N	231.687	-0.312	50	10	BBGE	
NCCOCCSC[C@H]1C[C@H]1C(=O)NN	1961087047	MDNGPTITGDWICA-HTQZYQBOSA-N	233.337	-0.679	50	10	BBGE	
Cc1nc(N2CC(C)C2)ccc1B(O)O	1961718653	RKNBWSOMDUODMJ-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cccnn1	1974772404	KPLDWMVPPVWPCB-SSDOTTSWSA-N	245.691	-0.005	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(F)(F)C1=O	1985702729	OZQJBOMHTJQGCX-RITPCOANSA-N	233.218	-0.520	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@@H](CO)C2	1986567062	PKVPOJMVSHKKAY-OWUUHHOZSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cnn(CCC[C@H]2CC2(F)F)c1	1991011701	SINDNYODDBQPAL-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncc(B(O)O)cn1	1993081892	XOICWQGCBGRQLK-JGVFFNPUSA-N	222.053	-0.419	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@@H]2N)CC1	1994858524	IEJMQZQQDIUGBU-IUCAKERBSA-N	223.276	-0.399	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1(F)CC1	1994971113	OSUDIOZLIYUQQS-UHFFFAOYSA-N	223.012	-0.193	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1CCCO	1995117682	MOJZKTRNWMWKMR-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
CN(CCCC1CC1)c1ncncc1B(O)O	2004918916	RPVVIPQHPYULIJ-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3CC[C@@H]3C2)n1	2004973126	QBCSFYNOOZMKIF-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(N2CC[C@H]2C(C)C)ncc1B(O)O	2004973855	AZXJMRNJELPIJT-JTQLQIEISA-N	235.096	-0.300	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C)[C@H]2C)n1	2005014464	LYGQANKNSUEPSX-JGVFFNPUSA-N	235.096	-0.300	50	10	BBGE	
CO[C@H]1CCN(c2ccc(B(O)O)c(C)n2)C1	2005018172	PLGMIDTUPOCATO-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)Cc1c(C(=O)NN)cnn1C	2005105256	BAWCMAULRAALSJ-VXNVDRBHSA-N	237.307	-0.136	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@]2(CCO2)C1	2008868300	SAWQSLGKVISROF-VIFPVBQESA-N	249.261	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(=O)NC[C@@H]1C(C)C	2010569250	LIMLFWXHUYATBQ-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011132397	QPOOABRUKSUZQD-NHCYSSNCSA-N	241.335	-0.152	50	10	BBGE	
O=C1CN(C2CC(n3cnnc3)C2)CC(=O)O1	2012283012	CYXMBNZXBRLVRI-UHFFFAOYSA-N	236.231	-0.633	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCC(=O)N(C)C1)C(=O)NN	2014819921	CFFZKIAAFPNZIQ-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C)(C#N)CC1	2019220400	XVEZFCNJPBHIKL-UHFFFAOYSA-N	238.291	-0.221	50	10	BBGE	
OB(O)c1cc(F)cnc1N1O[C@H]2C=C[C@H]1C2	2021847913	MHJXVUNWVHJYDF-YUMQZZPRSA-N	236.011	-0.651	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccccc1B(O)O	2022200560	VNKSWLCTCIWNKA-PELKAZGASA-N	233.076	-0.105	50	10	BBGE	
NNC(=O)C12COC(CN3C[C@H]4C[C@H]4C3)(C1)C2	2023853264	LPOLNONVJJIMSR-LRSDLPTKSA-N	237.303	-0.523	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)Nc2ncc(B(O)O)cn2)C1	2040762295	BAMRBQZJMSJSQG-YUMQZZPRSA-N	249.079	-0.469	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(C#N)cc1B(O)O	2060306624	LYYHIBRXJDZGBO-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CSCCO	2209328108	RJBZTQWYQXSAKB-RQJHMYQMSA-N	204.295	-0.272	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@@H]1CCNC1	2210076043	NITWWIXBEFGOED-RXMQYKEDSA-N	225.264	-0.293	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCc2ncsc21	2212078837	ZZNHRXNPOCQPMJ-ZCFIWIBFSA-N	240.288	-0.373	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CC1(C(=O)NN)CCC1	2212249180	MKPBDHKOOKGQPU-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNc1ncc(B(O)O)cn1	2212602626	HHIKHOQATVSLIM-XCBNKYQSSA-N	221.069	-0.386	50	10	BBGE	
OB(O)c1ccc(NCc2ncco2)nc1	2212604176	MYNDNNJRILECEF-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
N[C@H]1CC[C@H](Oc2ccc(B(O)O)cn2)C1	2212606160	PJOKAIVGKNGGPJ-IUCAKERBSA-N	222.053	-0.980	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)CC1(C)COC1	2215771733	JPXUQAGANIRIOZ-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](CO)[C@@H](F)C2)CCC1	2216493930	OWAUITKSFMSCJQ-IUCAKERBSA-N	245.298	-0.591	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCNC2)nc1	2217167760	QDKDQKOYNBXPGA-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
OB(O)c1cccnc1NCCOC(F)(F)F	2217178799	ZWTNMKQUKPHPTA-UHFFFAOYSA-N	249.985	-0.290	50	10	BBGE	
CC[C@]1(N)CCCN(c2ncccc2B(O)O)C1	2223641746	WDZZQLFJEBGVHF-LBPRGKRZSA-N	249.123	-0.531	50	10	BBGE	
Nc1ccccc1CNc1cc(B(O)O)ccn1	2223671346	KIJZCTIJCLHBQF-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
COCCCNS(=O)(=O)N1CC(Cl)C1	2241354369	WZKDXCQQAPXUKJ-UHFFFAOYSA-N	242.728	-0.220	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)cs1	2241495391	JKEYOKDSZHCJEN-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
COC[C@H](C)N1CCC(B(O)O)CC1	2241742378	ZBXKHZVCYMUUGW-QMMMGPOBSA-N	201.075	-0.040	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC2(CC2)C1	2243350190	XGRNXPFVFZADAK-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C1CC1)C(F)(F)F	2243361933	JIGZTVQBVONXIR-SSDOTTSWSA-N	234.970	-0.541	50	10	BBGE	
C#CCONC(=O)c1cc(B(O)O)sc1C	2243385067	BVBULFBUFXFRPU-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243392243	SIMUEMCUVOTCNQ-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
C#CCN(CC#CC)C(=O)C1(B(O)O)CC1	2243409464	IKGUIYSSSRBTBU-UHFFFAOYSA-N	219.049	-0.522	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2243409962	SBLDDBBLGOIHIE-CBAPKCEASA-N	227.069	-0.323	50	10	BBGE	
CC=CC(=O)N(C)Cc1csc(B(O)O)c1	2243685306	RIOUBFFCHXFZLR-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
C[C@@H](CCN)Nc1cc(B(O)O)c(Cl)cn1	2245912504	BBHGDTCMBHNZBQ-LURJTMIESA-N	243.503	-0.436	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCCCC2)n1	2247229662	ZAQYWNYAOIYDND-UHFFFAOYSA-N	236.080	-0.240	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1coc(B(O)O)c1	2247733044	LIUJSVWUTGLFEF-VIFPVBQESA-N	237.064	-0.026	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H](C2CC2)O1	2247740809	PZCYZBOMHPQTPJ-UWVGGRQHSA-N	237.064	-0.924	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2247740982	SHWUKMALRSWKBO-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)C1CCOCC1	2247744803	YHXFCYXAHKLKIH-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
CN(C[C@H](O)C1CCCC1)C(=O)C#CB(O)O	2247746711	CJXSNICUHRRBAC-JTQLQIEISA-N	239.080	-0.989	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247751654	ZYURMSHPGSLMOO-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C[C@]12C[C@](NC(=O)C3(B(O)O)CCC3)(CO1)C2	2247757947	YNFBAAWYVXRFRK-MGCOHNPYSA-N	239.080	-0.179	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC[C@H]1CF	2247784927	CSTCXZYHINZFFT-HRDYMLBCSA-N	245.059	-0.564	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC(O)CC1	2247809288	OQMSUTIAPNULMX-QLEHZGMVSA-N	241.096	-0.389	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247852219	QLBBORGFIHGSFO-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247855602	VETFSRHVIGHYGG-XAVMHZPKSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247877786	DHJZVWLTUQPQFM-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C1CC2(CCCC2)N1C(=O)[C@H]1C[C@@H]1B(O)O	2247898693	GZJTVICVSFCZPT-YUMQZZPRSA-N	237.064	-0.079	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)C(=O)O	2248574987	XFTIOHXHZLHUMA-XUTVFYLZSA-N	243.068	-0.535	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C=C[C@H]1C2	2255444080	IAZPUVCRJVTLCL-IUCAKERBSA-N	247.059	-0.332	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1coc(B(O)O)c1	2255456959	WEZATTDLZJUGAL-CBAPKCEASA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CC(C)C2)n1	2255487250	MGLCMUDGMCGSKK-UHFFFAOYSA-N	248.091	-0.402	50	10	BBGE	
C#CCCCNC(=O)c1cc(C)ccc1B(O)O	2255512644	CWJYRDPXDBWOQA-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
CCCC1(NC(=O)c2cncc(B(O)O)c2)CC1	2255677096	BOTWWGRUDWHXGW-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
Cc1cc(C(=O)NC2COC2)cc(C)c1B(O)O	2255683461	XDPBDMZTDSMDOP-UHFFFAOYSA-N	249.075	-0.888	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccoc1B(O)O	2255710672	NXWMJPOCMPIFLM-ZLQIGIHNSA-N	247.059	-0.656	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1cncc(B(O)O)c1	2255734945	KANZIWLIMBOZDY-GFCCVEGCSA-N	248.091	-0.224	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258121854	UUZZYQQNYYYEAP-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@@H]12)[C@H]1C[C@H]1B(O)O	2298376515	ZTKAGZQJUILLMP-JLIMGVALSA-N	238.096	-0.798	50	10	BBGE	
CCC[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376716	KUOTUTPWHYCXPJ-AEJSXWLSSA-N	243.112	-0.236	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1CC1(C(=O)NN)CC1	2299981223	OOBCQNYRULNIIP-KOLCDFICSA-N	241.335	-0.008	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1B(O)O	2302189459	ZAVXMIMBEYNSHY-SQXHDICFSA-N	239.080	-0.515	50	10	BBGE	
CCc1nnc(CN2CC[C@@H](B(O)O)C2)n1C	2303107029	VYARFOYMTQHXFV-MRVPVSSYSA-N	238.100	-0.574	50	10	BBGE	
OB(O)c1cc(O[C@@H]2C=CCOC2)ncc1F	2303853556	VVKXCPDCPHTDLA-SSDOTTSWSA-N	239.011	-0.766	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCC[C@H]1O	2317151479	RFJMRGPJFMEMHX-NWDGAFQWSA-N	246.075	-0.437	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnccn1	10364936	FVDQBDRMYUEKKB-UHFFFAOYSA-N	223.236	-0.171	50	10	BBGE	
CNC(=O)CNC(=O)NC(=O)CCCl	37225128	IQYVGLPVBXPRKB-UHFFFAOYSA-N	221.644	-0.813	50	10	BBGE	
Cc1nc(C)c(CCC(=O)NN)c(=O)[nH]1	37389006	XNFOTUXGYHEGBQ-UHFFFAOYSA-N	210.237	-0.691	50	10	BBGE	
NC(=O)NNC(=O)NC[C@@H]1CCCO1	42870077	JGEDAEPBWGGDIM-YFKPBYRVSA-N	202.214	-0.952	50	10	BBGE	
NNC(=O)CCOc1ccc(C(N)=O)cc1	82464272	CWOVJDUNLQYRKB-UHFFFAOYSA-N	223.232	-0.456	50	10	BBGE	
CN(CCC(=O)NN)C1CCOCC1	82467949	SGPNLGKKQVNTKR-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CCCO1	82469303	TYVGXIOQIJWODK-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COCCN(C)Cc1ccc(C(=O)NN)cn1	94763946	ZXELTPQXNQIPNY-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
CCc1nccn1CCn1cc(C(=O)NN)nn1	110602846	CVBJJPYRLVJVFP-UHFFFAOYSA-N	249.278	-0.659	50	10	BBGE	
NNC(=O)CCn1nnc(-c2ccccc2)n1	113179751	PUIGPRIVYTYWFK-UHFFFAOYSA-N	232.247	-0.280	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCn1ccnn1	163919290	BKXLILJNUXJAAC-LURJTMIESA-N	245.670	-0.269	50	10	BBGE	
CCOCCCNC(=O)/C(C#N)=C\NCCO	216608313	PIRIXCPDPNVDPD-KTKRTIGZSA-N	241.291	-0.481	50	10	BBGE	
C[C@H](CN1CC[C@@H](N2CCCC2)C1)C(=O)NN	223088297	NLPMCHUDAQNFJA-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCO)C1CCC1	228569124	SNJQXVFXMJYKCJ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(O)C1	234060596	DHQDBSJHQZVQKH-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1CN(C)CCCN1C[C@@H](C)C(=O)NN	235630845	TXUHHLICCLJQDY-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2)c(Cl)c1	238654703	ZSCTVLYZQYZKMW-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
C[C@@H](CN1CCN(C)[C@H](C)C1)C(=O)NN	251932058	YVAQAUFTRCDUAJ-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
Nc1cc(O)c(B(O)O)c2ccsc12	307294977	GZBQASYKWDPFGZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(C)=O	308207485	DECKDVKCJBJIAE-UHFFFAOYSA-N	209.271	-0.786	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCN(C)C1	308900955	KEPNVHGSCUJYSU-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@@H](N)C(C)(C)C	308967207	NCEHYDURFUVVPE-SSDOTTSWSA-N	216.090	-0.780	50	10	BBGE	
CCOC(C)=NNC(=O)c1cn(C)[nH]c1=N	381050977	HXVOOBSXVZYJAD-UHFFFAOYSA-N	225.252	-0.068	50	10	BBGE	
N=c1nc(NNC(=O)[C@H]2CCO2)cc(Cl)[nH]1	381178755	VTJCDENJOYBIKU-SCSAIBSYSA-N	243.654	-0.225	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(CO)cc(B(O)O)c1	396040763	MXXCEIZIYDHALJ-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@@H]1CNC(=O)C1	398292548	HAIPIHQBIWBUGO-RITPCOANSA-N	247.682	-0.424	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CCCCC(=O)NN	399406015	IKAJQFMRVXIWNV-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H](C)C[S@@](C)=O	399975253	KSBRROBUZXNKNF-ABFUHYCJSA-N	249.380	-0.156	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)CC(=O)NN)CO1	401554314	BVKZZKHTCBPHFA-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](CO)(OC)C1	402853659	OUJRCWDWBREGQW-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584988642	CANYCMAZJBIHKQ-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(=O)N(C)CC1	688933087	CWSQVICTBPMSCB-JTQLQIEISA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](C#N)C1)C(=O)NN	693906990	HRJFQIKTMMGTPR-IUCAKERBSA-N	210.281	-0.152	50	10	BBGE	
N#C[C@@H]1CCN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	693991889	MJZGSUJLJFZIJY-IVZWLZJFSA-N	238.291	-0.631	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2Cc3ccccc3O2)c1	694536372	QUKBMTWYBGWAGY-NSHDSACASA-N	244.059	-0.433	50	10	BBGE	
Cn1nnc(C(=O)NCCCOCCCl)n1	697223850	RQGJRIUCGDTWMN-UHFFFAOYSA-N	247.686	-0.415	50	10	BBGE	
CCOC[C@H](Cl)CNC(=O)c1nnn(C)n1	697224307	WHGDYKTUVALVCH-ZCFIWIBFSA-N	247.686	-0.416	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H]3C[C@H]32)n1	706984528	PIAMRHKLRJIPRU-HTRCEHHLSA-N	222.248	-0.128	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1CC(C)(C)C(=O)NN	707346099	HXSVMJWJDXZKTK-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)[C@@H](C)C(=O)NN	710920002	SXBHYMXGFGJLSZ-GJMOJQLCSA-N	201.270	-0.669	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@H](C1=O)C2(F)F)C(=O)NN	715553058	XBDUAGPHJVVIIY-NTSWFWBYSA-N	247.245	-0.274	50	10	BBGE	
COC[C@@H](C)CC(=O)NNC(=O)c1cnn[nH]1	755332112	CMHNQSCTXOAOPH-LURJTMIESA-N	241.251	-0.762	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCCO	788278618	HRZYNYQEGVHGCR-VIFPVBQESA-N	245.323	-0.363	50	10	BBGE	
C[C@H](Cn1cncn1)NS(=O)(=O)CCl	820790636	PWEDDMCRAMRIND-ZCFIWIBFSA-N	238.700	-0.218	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	854637503	DVFCWADCVFJSDX-GMSGAONNSA-N	228.248	-0.750	50	10	BBGE	
COCCCC(=O)NNc1nnc(C)n1C	856051309	YVCVGSWGZTWSRE-UHFFFAOYSA-N	227.268	-0.007	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=Cc2ccns2)N1	863151605	PEIFCBGBCUQSNE-SSDOTTSWSA-N	238.272	-0.128	50	10	BBGE	
Cc1cnn(CC(=O)NNC(=O)c2cc[nH]n2)c1	1300691560	CXGDTWPZCZKRAH-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNc1nc[nH]n1	1306853628	YPXYHQFAHIGQKS-QMMMGPOBSA-N	211.225	-0.425	50	10	BBGE	
CCc1ncncc1C(=O)NNc1nc[nH]n1	1457835223	HOAFYGBAPPWLIT-UHFFFAOYSA-N	233.235	-0.086	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	1526855465	BCOPQRSQRYSSIO-SFYZADRCSA-N	230.264	-0.262	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@H]1COC(=O)C1	1542404454	IWCVMPBUFVVTRL-SSDOTTSWSA-N	243.263	-0.320	50	10	BBGE	
CN(NC(=O)c1cccn(C)c1=O)C(N)=O	1566497254	OKIQNFIBGFAHBE-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(B(O)O)cc1	1631874275	RSNTZTRPEHSUQR-MRVPVSSYSA-N	235.048	-0.398	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NN	1879945542	QOPNLQQXVBDDSJ-NTSWFWBYSA-N	215.253	-0.111	50	10	BBGE	
O[C@H]1[C@H](O)COC12CN(CCCl)C2	1882573705	GBDMPIYJYCTHDD-RQJHMYQMSA-N	207.657	-0.968	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCNNCC1	1883645559	PWNBYIHUEGUFMW-NKWVEPMBSA-N	203.673	-0.450	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)C1COC1	1884427935	AXPNGDHRVWDOSZ-MRVPVSSYSA-N	220.700	-0.082	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1CNC[C@@H](O)C1	1893912330	CRFWTLHJSUJEPZ-KRTGUUSXSA-N	232.711	-0.157	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1896006489	KNBNNPHKHAQRCH-HCWXCVPCSA-N	243.698	-0.374	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1896538528	YHFDFCQRARMUED-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC(CO)C1	1896914958	HWYYDYOXUDTTLN-RVXWLBMTSA-N	227.308	-0.685	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC[C@H]1OC	1897394860	QFWHQMJDHCOAQY-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@H]2C)c(B(O)O)s1	1899936804	HIQKDBMJOGROMH-YFKPBYRVSA-N	240.093	-0.634	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cnsc1B(O)O	1900468497	XWDAJOVKWTVUKX-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1CCCN1	1901377848	TYWUEEPICNJQFK-MRVPVSSYSA-N	249.336	-0.560	50	10	BBGE	
C=C[C@H](CCl)NC(=O)C1CS(=O)(=O)C1	1901504656	MFPFWFGCPVKUSP-SSDOTTSWSA-N	237.708	-0.059	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H](CF)C2)n1	1902640019	YGWOWDHFOYETDS-ZETCQYMHSA-N	244.100	-0.386	50	10	BBGE	
CO[C@H]1CN([C@@H](C)CC(=O)NN)CC[C@H]1OC	1910473013	LKDOTOYKJPIYNT-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)NN(C)C	1913211966	OKRXBPBFSHMRCO-PHDIDXHHSA-N	201.226	-0.280	50	10	BBGE	
CC[S@@](=O)(=NCC(=O)NN)C(C)C	1913872909	YUYQJDMGCIUAQY-ZDUSSCGKSA-N	207.299	-0.127	50	10	BBGE	
CN(CCCC(=O)NN)C1(CO)CCC1	1915005188	UYXOIOMOQCGBPD-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
OB(O)c1ccc(CN2CC(F)C2)cc1	1917260884	CONHEEZUYBUNIE-UHFFFAOYSA-N	209.029	-0.480	50	10	BBGE	
CO[C@@H](C)[C@@H](O)C(=O)NNC(=O)OC(C)(C)C	1923414269	ZYTBXNBYBLIXEU-NKWVEPMBSA-N	248.279	-0.062	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNCCO)[C@H]1C	1929839157	YVRXNFUENDVAFN-MAUMQABQSA-N	216.281	-0.341	50	10	BBGE	
C[C@@H](O)C1CN(CC2(C(=O)NN)CC2)C1	1931260534	OXDXGUVSBLMPKA-SSDOTTSWSA-N	213.281	-0.931	50	10	BBGE	
O=C(NC[C@H](Cl)CF)C1CS(=O)(=O)C1	1933141109	PRPZRYKDCZFXLU-ZCFIWIBFSA-N	243.687	-0.276	50	10	BBGE	
Cn1nc(C(=O)NNCCO)cc1Cl	1933192945	MTVFGERXMDMFJN-UHFFFAOYSA-N	218.644	-0.700	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CC[C@@H]2C1=O)C(=O)NN	1935427430	IODKUEPIHQIVLI-FXQIFTODSA-N	211.265	-0.519	50	10	BBGE	
CO[C@@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088253	LPGKCGNTZSNUPD-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088671	PUFBHKMMSPSRJM-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
O=C(CCn1cnnc1)N[C@H]1COC[C@@H]1Cl	1937144902	HEAXWDPXVIRDIO-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=O)C1CCOCC1	1937708314	FDUZRVMCOMKDRE-SSDOTTSWSA-N	231.252	-0.873	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](O)(CC)C1	1937985595	TVXTWGYCOHXGAZ-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
Cc1nc(C#N)n(C[C@@H]2C[C@H]2C(=O)NN)c1C	1941090614	PQESMHFDUOHJIS-DTWKUNHWSA-N	233.275	-0.002	50	10	BBGE	
CC[C@H](COc1cnc(C)c(B(O)O)c1)OC	1944011441	PTRNUJXRZOBLFO-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)C[C@H]1O	1944568387	FKJOARNSNGMPCW-KAMPLNKDSA-N	241.335	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1946083666	LHDVUARZPAPIGA-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCCO1	1951321864	KJSJROMJENENRO-PSASIEDQSA-N	227.069	-0.369	50	10	BBGE	
O=C(N[C@H]1C=CCC1)N1CC[C@H](B(O)O)C1	1951322163	WQKIOCPFPYSKAR-IUCAKERBSA-N	224.069	-0.037	50	10	BBGE	
OCC1(F)CN(C[C@H](O)CBr)C1	1953711435	PECWEMOMHGQJHY-ZCFIWIBFSA-N	242.088	-0.242	50	10	BBGE	
CC1(C)[C@@H](CO)OCCN1C(=O)NN	1955413959	GRWZSOYDLMOADP-ZCFIWIBFSA-N	203.242	-0.959	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1NC(=O)OCCl	1957176074	XXIDZKIAWHNHFE-UHNVWZDZSA-N	222.628	-0.448	50	10	BBGE	
CO[C@H](CCCl)CNCCn1cnnn1	1960994487	USGJAJDUIKAHMQ-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
NNC(=O)CN1C(=O)[C@@H]2CCCCC[C@H]21	1961294547	YDWGPIBWTKCTMT-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
NNC(=O)N1CC[C@@H](N2CCCC2=O)C1	1961476057	MXKDMLIFDNYPFW-SSDOTTSWSA-N	212.253	-0.734	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@@H]2CCOC2)C1	1961483646	VUAAIEBCRQYYGI-SFYZADRCSA-N	215.253	-0.693	50	10	BBGE	
C=CCCOc1ncnc(C)c1B(O)O	1961689006	ZZELPPYVFHISAS-UHFFFAOYSA-N	208.026	-0.580	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@](F)(CO)C1	1975527673	SRJZPLOYUUSJMH-WCBMZHEXSA-N	233.287	-0.449	50	10	BBGE	
COC1(C)CCC(NC(=O)C(=O)NN)CC1	1977178956	DVKKZCZZVMMOIW-UHFFFAOYSA-N	229.280	-0.560	50	10	BBGE	
O=C1NC(=O)[C@@H]2CCN(C[C@@H](O)CCl)C[C@@H]12	1978817405	YBACRUMIHZATDW-XLPZGREQSA-N	246.694	-0.819	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1ncc[nH]c1=O	1979657675	IILUSGCPELXRTO-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1[C@H](C)C(=O)NN	1980856433	SNXAZECYVBHENQ-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
COCCN(C)c1ccc(B(O)O)c(C)n1	1981468384	BBCDSELPQGFJQZ-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
COCCC1CN(c2nc(B(O)O)cs2)C1	1981468462	CBRJFMBQOOKBKA-UHFFFAOYSA-N	242.109	-0.704	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2C[C@@H]2C)n1	1981531040	SVJYLZBIAVBCLF-RCOVLWMOSA-N	221.069	-0.691	50	10	BBGE	
C[C@]1(P(C)(C)=O)CCCN1C(=O)C(=O)NN	1985308702	CWMOFPGIMLJHTN-VIFPVBQESA-N	247.235	-0.062	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@H]1CF	1985768394	YDPQCGDOCLAXGG-XHNCKOQMSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986732678	UDDXMUCJSIVGOU-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
O=C(F)N1CCc2c(cccc2B(O)O)C1	1987564290	IPAXRQNNRWEDHS-UHFFFAOYSA-N	223.012	-0.186	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@@H]2CC[C@H]2C1	1991329314	ISWMOCIIKGJSPW-IUCAKERBSA-N	224.069	-0.394	50	10	BBGE	
O=C(N=c1cc2n([nH]1)CCNC2)[C@H]1C[C@H]1Cl	1991683737	WHPFWTSWPJTSFX-JGVFFNPUSA-N	240.694	-0.026	50	10	BBGE	
Cc1cc(-n2cc(F)cn2)ncc1B(O)O	1992088382	BFWBYTXEWOEYNE-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C=C(CN1CCS(=O)(=O)C(C)(C)C1)B(O)O	1992145979	PFZXOVJAZQEIJZ-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H]2CC[C@@H]2O)[nH]1	1994680265	UOJVBJQACUHGAZ-RITPCOANSA-N	243.698	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@](F)(CO)C1	1995937693	NKANAMPPRXVXRU-NGZCFLSTSA-N	247.314	-0.203	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@]12CC[C@H]1C2	1996647329	KZLRCXNCQDFLFO-WRWORJQWSA-N	232.048	-0.500	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ccc(CO)cc2C1	2002324119	ZBABOOWNPCTANW-QMMMGPOBSA-N	235.287	-0.127	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(n2ccnn2)C1	2003858724	NBJDELLGXLFZET-SFYZADRCSA-N	238.295	-0.851	50	10	BBGE	
CCN(C)C[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	2003904032	BCURIGKXCSQKJW-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CO)C[C@@H]1C	2004910327	VHZJIZGKNHKZFA-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CCOCCCN(C)c1ccc(B(O)O)cn1	2004911030	BPLUXXLOYOLPFJ-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]2CF)n1	2005016836	VVJBEYJOYVCOLD-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
CON(c1nc(C)ncc1B(O)O)C1CCC1	2005018160	PIEINZJVOFPHIN-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@H](C)CCC(=O)NN)CCO1	2005913648	SCSLHLXHCSIVEJ-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(C1)CC(C)(O)C2	2011905778	WYUVASSOQSDHEL-UHFFFAOYSA-N	241.291	-1.000	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CO[C@@H](C(C)(C)C)C1	2013195751	JHIZVVJLNDVQSJ-JGVFFNPUSA-N	243.307	-0.362	50	10	BBGE	
CC(C)OC1CN(Cc2cccc(B(O)O)c2)C1	2040866150	JAEQFKZYXSYPGI-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CCNC[C@@H]2C3)CC1	2043093722	JOWSXCVWBQFPGI-GWCFXTLKSA-N	249.314	-0.137	50	10	BBGE	
CN(CCn1cccn1)c1ccc(B(O)O)cn1	2052466962	LQULSAQZHRWHNA-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@]3(CCO3)C2)n1	2052557586	QGNCWGUDYMZBDI-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CO[C@H]2C[C@@H]1C2	2063131325	ZYLASIKPFVRYHL-WCABBAIRSA-N	248.091	-0.625	50	10	BBGE	
O=C1CN(Cc2ccn3cnnc3c2)CC(=O)O1	2067865195	NWTHUVNKLURJRI-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2210731781	SSZNUOANYFACCL-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]1CC[C@H]1Cn1cc(B(O)O)ccc1=O	2211480339	IRYJDCASJPAYOF-BDAKNGLRSA-N	221.065	-0.426	50	10	BBGE	
NNC(=O)C1(CN2CCS(=O)CC2)CCC1	2212261201	GUQSCZVNPPOBKI-UHFFFAOYSA-N	245.348	-0.789	50	10	BBGE	
OB(O)c1ccc(=NCC2CCCC2)[nH]c1	2212601052	HXXOMBOJTODDTL-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
Cc1cccc(=O)n1Cc1cc(B(O)O)cs1	2214513206	JFDJSDCMMJOQRK-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)CCC12CC2	2214781719	ZCGJEFPBSRAGFE-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2CC[C@@H]2C1=O	2215775141	GDCYJODMRJMQHE-RGOKHQFPSA-N	237.303	-0.129	50	10	BBGE	
CCC1(Oc2cc(B(O)O)c(C)cn2)CNC1	2217180733	KMCZNCCYXFJEAX-UHFFFAOYSA-N	236.080	-0.799	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@@H]2CCN2)cc1B(O)O	2217184744	VWPKYESFZVFKKG-SCZZXKLOSA-N	236.080	-0.801	50	10	BBGE	
CCNC[C@@H](CC)Oc1ccc(B(O)O)cn1	2217189277	AQZGOUFPHCRUJO-SNVBAGLBSA-N	238.096	-0.472	50	10	BBGE	
CCCC1(Nc2ncccc2B(O)O)CNC1	2217196281	DTKBCWJILZLWKA-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
C[C@H]1[C@H](Nc2cc(B(O)O)ccn2)CCN1C	2217200123	IAUDXQYMYJZQOE-WCBMZHEXSA-N	235.096	-0.734	50	10	BBGE	
CC1(C)C[C@H](O)CN1c1ncccc1B(O)O	2217201244	CUKJAAUMPBBAEF-QMMMGPOBSA-N	236.080	-0.889	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCOC1	2217202981	OCTAHNDGVZBHPF-NSHDSACASA-N	236.080	-0.400	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1(CCF)CC1	2217411766	XWTVUGUUOHEALT-UHFFFAOYSA-N	240.043	-0.937	50	10	BBGE	
Cc1nc(OC[C@H]2CC3CC2C3)ncc1B(O)O	2222317874	XIYWBGIRWWOYOJ-UDNWOFFPSA-N	248.091	-0.110	50	10	BBGE	
OB(O)c1ccnc(NC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c1F	2223646122	GLKMXCLGNGFURF-WCTZXXKLSA-N	248.066	-0.033	50	10	BBGE	
NCCN(c1ccc(B(O)O)cn1)C1CCCC1	2223652247	HIUHBORLANQPGL-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCCCNC1	2223665067	BTPHNDNBVDIWIY-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
CCCNC(=O)c1csc(B(O)O)c1	2241468523	PWISJHQKBBRVRK-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
Cc1cnsc1NC(=O)C#CB(O)O	2241476326	PXGBHHCEKZOTHB-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)CCCl)C[C@H]1O	2241858776	BHGREHKBYUMHJA-BBVRLYRLSA-N	207.657	-0.120	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)CCC1(F)F	2243356694	LSBJNKSLXOMYKA-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
CNCC(C)(C)CNC(=O)C1(B(O)O)CC1	2243363555	ITFLPGGNJYPFJF-UHFFFAOYSA-N	228.101	-0.645	50	10	BBGE	
C[C@H](CCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382751	RIGBZTORSBYNTH-HLTSFMKQSA-N	229.085	-0.483	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2243390739	ANLFNNHOMFELOO-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CCN(CCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396118	HPNRZPKOGBMABJ-KYZUINATSA-N	229.085	-0.530	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCC[C@H]21	2243400109	WAEFDJOEZROBQE-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2243411410	SORDGLJLSSBXRX-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CN1CC[C@@H](CN2CCC(B(O)O)CC2)C1	2244180205	LFCICYIQCQHLMR-SNVBAGLBSA-N	226.129	-0.123	50	10	BBGE	
Cc1cc(C(=O)NCC=CCl)oc1B(O)O	2246246399	MEAGJVWVPLXEJJ-UHFFFAOYSA-N	243.455	-0.250	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	2246598691	OHSYUDXKZBQILN-RNMOGIQJSA-N	237.259	-0.993	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2247743126	ZGCKWZSSJLQFDO-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CCC2)[C@H]1O	2247757642	RBYBDCHHUHRXCV-JGVFFNPUSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2247771318	VFJODAHVXAJPHQ-HTQZYQBOSA-N	234.064	-0.758	50	10	BBGE	
CC(C)CCCNC(=O)c1cc(B(O)O)n[nH]1	2247784099	PKLOEXWZLZQAGA-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CCC[C@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCOC1	2247801107	XEMTZDXUUBJWCK-KKZNHRDASA-N	241.096	-0.075	50	10	BBGE	
CN(CCCCCN)C(=O)C1CC(B(O)O)C1	2247851939	MGVZHGVHFLXGJA-UHFFFAOYSA-N	242.128	-0.173	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@]21CO)C1(B(O)O)CC1	2247855324	QMIMKJOWAUCQER-XKSSXDPKSA-N	239.080	-0.729	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)[C@@H](C)O1	2247858245	CCDDGWJVWDDZER-IGLXGICUSA-N	241.096	-0.079	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cc1C	2247858818	HXWMZGNOZZFREL-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247868193	DPDCQTFCFCSMMB-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](CC1CNC1)NC(=O)C1(B(O)O)CCC1	2247873766	GHIFBWMLTNERSV-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247898470	DSLAYPGNQVDKKZ-DTORHVGOSA-N	242.128	-0.304	50	10	BBGE	
NCC1CC(F)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900048	SLZWLXQYQPOBPT-CINMIUTLSA-N	244.075	-0.958	50	10	BBGE	
C=CCC(=O)N1Cc2cccc(B(O)O)c2C1	2248420161	OKFZRGYFNPHWTI-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
CCN(CC)C(=O)c1ncc(B(O)O)cc1C	2248968905	UKEILLZRGIRJIV-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C[C@H]2C1	2249416085	MTPCZRVKVJVKHI-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CCO[C@]1(CN2CC(=O)OC(=O)C2)CCOC1	2250014928	UDSXTLNTDIPZQM-NSHDSACASA-N	243.259	-0.433	50	10	BBGE	
C#C[C@H](NC(=O)c1ccncc1B(O)O)C(C)C	2255444711	OIMLNCYDDLGZSU-NSHDSACASA-N	246.075	-0.851	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cc(B(O)O)oc2C)C1	2255453005	NTTWVMJTADJBGL-VIFPVBQESA-N	247.059	-0.637	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2CCOC2)c(B(O)O)c1	2255513640	VFEBODGRORRGLX-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1ncccc1B(O)O	2255518782	OSHFCPCBZVKEBC-PRHODGIISA-N	246.075	-0.566	50	10	BBGE	
CCC1CC(NC(=O)c2ccc(B(O)O)cn2)C1	2255522790	OFEUUGSSHQIJIK-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1C(=O)C[C@@H]1C	2255719353	FNBLVVKWOZUGJR-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2cocc2B(O)O)C1	2258152082	YQXVTHQRNCPZQH-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
O=C(CCl)N1C[C@H]2OC[C@@H](CO)[C@H]2C1	2297075236	XSEOUEANRZFFPM-BWZBUEFSSA-N	219.668	-0.309	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C[C@@H]1CC[C@H]1C(=O)NN	2298165434	BADQWWKYYDDQOS-AXFHLTTASA-N	243.351	-0.049	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369135	KMHQOWJRIIPGFC-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCNC1	2298370666	GFQSBLQCURUZPE-FXPVBKGRSA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1C[C@H](B(O)O)C1	2298371825	WYPBXNHLQKZXQK-IGORNWKESA-N	239.080	-0.325	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)O1	2298371900	ZAWKLOAUIVYLTM-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@H]2O	2298376039	FEOMOESCGJGZGB-HOTMZDKISA-N	239.080	-0.779	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CCC2(F)F)nc1	2299006528	LEWPZZKDNVWLDR-ZCFIWIBFSA-N	244.006	-0.420	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCOCCO1	2317167324	GMSNWKNHWGNHRC-UHFFFAOYSA-N	248.047	-0.994	50	10	BBGE	
NCCC1(Oc2ccc(C=O)c(B(O)O)c2)CC1	2317351414	IBMPMFOPXQFZRG-UHFFFAOYSA-N	249.075	-0.561	50	10	BBGE	
N#CCCNC=C(C#N)C(=O)N1CCOCC1	2324946109	FKEUNKFZSWNYMD-UHFFFAOYSA-N	234.259	-0.244	50	10	BBGE	
CNC(=S)NNC(=O)NCC(C)C	42947509	CTZAYIWILSVHJT-UHFFFAOYSA-N	204.299	-0.050	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CCCO1	82469311	PIWHZTPAZZWDKL-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CN1CCN(C)[C@H](C)C1)C(=O)NN	82485319	YVAQAUFTRCDUAJ-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CS(=O)(=O)CCSCCC(=O)NN	82514825	IREWEGQJGGIVRL-UHFFFAOYSA-N	226.323	-0.856	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H](C#N)C1	86656750	LUQYBHYLCHBJET-RKDXNWHRSA-N	226.280	-0.631	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCC[C@@H]1CO	156958595	ARUPPPAPXOSUFG-SNVBAGLBSA-N	243.307	-0.609	50	10	BBGE	
[C-]#[N+][C@H](C)C(=O)N[C@@H](C)C(=O)OCC#C	169603337	NWFSUCZDNRKZRA-SFYZADRCSA-N	208.217	-0.025	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C\B(O)O)[C@H]2OC(C)(C)O[C@@H]12	199552086	HISPYFKZAYAYFO-WBWOQNSDSA-N	244.052	-0.554	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](N)C1	211882686	IYWAXOJIUMDRCW-JGVFFNPUSA-N	200.286	-0.822	50	10	BBGE	
CC(=O)NNC(=O)CSc1nccnc1N	232557317	IUEASNGNZKIKQU-UHFFFAOYSA-N	241.276	-0.682	50	10	BBGE	
Cn1nnc(Cn2cc(CCl)nn2)n1	236156642	VLECXBYJCKTRDX-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252883604	VHJUNSOWANGQHB-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CN1CCN(C)C[C@H]1C)C(=O)NN	300355124	LZCVDJOUUWVPHW-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCSC1	306754819	PYEXFWBHEWDJOM-ZCFIWIBFSA-N	217.294	-0.764	50	10	BBGE	
CNC(=O)C1CN(C(=O)[C@H](C)Br)C1	307006191	KTUQLFWXBROKFR-YFKPBYRVSA-N	249.108	-0.026	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(CO)C1)C(=O)NN	381337153	DFNOJLUZQMYOBZ-PSASIEDQSA-N	215.297	-0.683	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1[C@H](C)CC(=O)NN	385586637	AFHDHVPIKQRJQL-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@]1(C)CN	390055940	NLLLCYQHAANDPZ-MWLCHTKSSA-N	228.340	-0.327	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CCC[C@@H]21	393469869	FNUBIIQLGMBEPZ-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2cc(O)sc2c1	396378015	GROJXUUCMLDBMG-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)[C@H]1CCN(CC(C)(C)C(=O)NN)C1	398475320	IJPOHSQAFUDVQD-QMMMGPOBSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H](SC[C@@H]1CN(C)CCO1)C(=O)NN	400796437	WNHATYWZKGRDNF-SFYZADRCSA-N	233.337	-0.571	50	10	BBGE	
COCC(=O)Nc1cc(C)ccc1B(O)O	404987930	QKTFYZOGYCXFAX-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(B(O)O)cc1F	405189785	SFXBVMLTODKZHX-MRXNPFEDSA-N	245.084	-0.011	50	10	BBGE	
CN(CCC#N)CC(F)(F)C(=O)NN	685957834	HZFIHEZWJFSCJS-UHFFFAOYSA-N	206.196	-0.543	50	10	BBGE	
NNC(=O)C(=O)N1CCC(CF)CC1	689863480	MYFUJZLDFSNNNZ-UHFFFAOYSA-N	203.217	-0.816	50	10	BBGE	
CCN(C[C@H](C)O)[C@H](C(=O)NN)C(C)C	692176638	ZPQJYUFTIUXDIQ-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
Cn1nnnc1CNC(=O)OCCl	692860486	PXGQWUUMZDQQIV-UHFFFAOYSA-N	205.605	-0.367	50	10	BBGE	
N#Cc1cc(Cn2cc(B(O)O)cn2)ccc1F	694506551	BFWPAFNGNYGUQS-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](O)C1	695069898	NFPZMMSZYJNAFI-DTWKUNHWSA-N	215.297	-0.542	50	10	BBGE	
CCCO[C@@H]1CCN([C@@H](C)C(=O)NN)C1	701701129	OLJSFAOVLRUJME-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C[S@@](C)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423212	XZEVYAXLVDRQAZ-STTZZVJOSA-N	245.300	-0.330	50	10	BBGE	
NNC(=O)c1nnc(Br)s1	705930749	MYELJFDPPFMWMD-UHFFFAOYSA-N	223.055	-0.096	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)CC[C@@H](C)O1	709920183	SKPWCBNZIDWNIF-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
CC(C)[C@@]1(O)CCCN([C@H](C)C(=O)NN)C1	710193607	XCQCVHDEKQYLNH-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(COc2ccccc2B(O)O)nn1C	710849408	AQCCNJPQEVJFKE-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@H](O)[C@@H](F)C1	725709568	RVHTZUSZWFRLJS-BQBZGAKWSA-N	245.703	-0.040	50	10	BBGE	
C[C@H](CCN)C(=O)N1CCC(O)(C#N)CC1	821980331	CIBGOPQGKIEEMP-SECBINFHSA-N	225.292	-0.152	50	10	BBGE	
COCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846391601	AWEQNWMLPVYOEF-BWZBUEFSSA-N	228.248	-0.652	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H](C)CC(N)=O	862500292	NSOKVHUAQCVCBK-ZETCQYMHSA-N	236.275	-0.233	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)[C@H]1CCCO1	908381002	SLGCFBJSXSSEKG-CVIXOHNVSA-N	228.248	-0.750	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)c1ncccn1	1142468381	UZRMORVYLZXLJM-UHFFFAOYSA-N	230.227	-0.349	50	10	BBGE	
Cc1nnc(NNC(=O)c2cncnc2)nc1O	1160451337	ZSVZYMCLNXEEKS-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1nnn(C)c1C	1320277799	GBUDOOURTLNAQD-UHFFFAOYSA-N	240.267	-0.570	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(Cl)n(C)n1	1630971969	CGVQXMSUMDBCQO-UHFFFAOYSA-N	231.643	-0.353	50	10	BBGE	
Cc1cc(C(=O)NNc2cnnn2C)no1	1651046354	PTTOOLYBVZOGQJ-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
N=C(NN)NC[C@H]1C[C@H]1Br	1880107605	NQCMTAIVSVMTFD-QWWZWVQMSA-N	207.075	-0.243	50	10	BBGE	
NC(=O)N1CC(NC[C@@H]2C[C@H]2Cl)C1	1883553369	QLRNSGFWCFVREG-CAHLUQPWSA-N	203.673	-0.034	50	10	BBGE	
COC(=O)[C@H]1C[C@H](C(=O)NN(C)C)C1	1887651664	JRKHIARNDBSZKC-LJGSYFOKSA-N	200.238	-0.222	50	10	BBGE	
C[C@H](Cl)CC(=O)NN(C)S(C)(=O)=O	1888563338	KIFQKVYONHNRKP-YFKPBYRVSA-N	228.701	-0.074	50	10	BBGE	
CCC1(OC[C@@H](C)C(=O)NN)COC1	1888698514	MOSGFXVLZIRVJZ-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
O=C(CBr)NCCC#CCO	1892473954	FIOGIBZCPMYEOZ-UHFFFAOYSA-N	220.066	-0.117	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@@H]1C[C@@H]1Cl	1893474203	GDIZNXHDSJVRPN-RQJHMYQMSA-N	221.684	-0.137	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1893475551	VMFLWPRIAYYEKM-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CCO[C@@H]2C1	1896178365	NWSSQOCDDZBVCX-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901341079	OSPALBFBFIXNJP-MRVPVSSYSA-N	249.336	-0.575	50	10	BBGE	
C[C@]12C[C@](C(=O)NNCCO)(CO1)C2	1902119971	LGVFCABFQNKLAO-KYZUINATSA-N	200.238	-0.831	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CCC[C@H]2C1=O)C(=O)NN	1912216642	RFNBDPOMDLXHOF-BIIVOSGPSA-N	239.275	-0.603	50	10	BBGE	
CC[S@](C)(=O)=NCCCC(=O)NN	1913888898	SPHFQQREZZHKNT-ZDUSSCGKSA-N	207.299	-0.126	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=S)nc1	1913974177	SDVCMMFPZRFMRD-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1(CO)CCC1	1915005411	YZAJNOANRHDOMT-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ccon1	1923410311	LAFVMRZMZFATSM-UHFFFAOYSA-N	223.110	-0.002	50	10	BBGE	
CCC[C@H](SCCNCCN)C(=O)NN	1923483651	LBZDQIILFPNULA-QMMMGPOBSA-N	234.369	-0.574	50	10	BBGE	
O=C(Cn1cnnn1)N1CCC[C@H]1CCl	1928696573	PBHVXTTXMFTXBS-ZETCQYMHSA-N	229.671	-0.097	50	10	BBGE	
CN1C[C@H](NCc2cn(C)nn2)[C@H](Cl)C1	1928754959	HDJYQZHAHGEPQJ-BDAKNGLRSA-N	229.715	-0.174	50	10	BBGE	
CC(C)(CN1C[C@@H](O)[C@H](F)C1)C(=O)NN	1929911200	SSQUVOSOUOIYLA-RNFRBKRXSA-N	219.260	-0.983	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CC2)CO1	1930147638	IXIOLQHMLAGMHT-YUMQZZPRSA-N	211.265	-0.360	50	10	BBGE	
NNC(=O)C(F)(F)O[C@@H]1CCCOC1	1932290701	NTMOVDUWQOHJKG-RXMQYKEDSA-N	210.180	-0.235	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@@H]1C(F)(F)F	1935090954	YHLKZLWLLWQMAT-GBXIJSLDSA-N	211.143	-0.116	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COC[C@@H]1CCl	1937179181	HCGRRUUBCROHPB-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CCC[C@@H]21	1937413929	CYJVBJXQNZBPQY-XAVMHZPKSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](O)[C@@H](F)C1	1941011904	MAHLNLITDNGPPY-UWVGGRQHSA-N	247.314	-0.059	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1941085717	FJUXGMLLULRLKA-RCWTZXSCSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)c1cncc(CN2CC[C@@H]2CO)c1	1944080978	VYRXITOHGUKETC-SNVBAGLBSA-N	236.275	-0.748	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1946222468	LCGWQRXRGNJDFZ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946406765	KNQVBHAWCBPZHE-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949698201	YAKKDNJWKHPQCR-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
O=C(CBr)[C@@H]1COCCN1	1953156814	VWQRLWZRJFCDNW-YFKPBYRVSA-N	208.055	-0.061	50	10	BBGE	
O=C1CN(C[C@H](O)CBr)CCN1	1953619033	YWPWYJBSBQKIMC-ZCFIWIBFSA-N	237.097	-0.826	50	10	BBGE	
C[S@@](=O)C1CN(C[C@H](Cl)C(=O)O)C1	1954057078	NAEDIJILEOATMV-DAZKTRTLSA-N	225.697	-0.259	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1CC(=O)NN	1961310296	HYHBNDMNWRYAKM-SECBINFHSA-N	214.313	-0.752	50	10	BBGE	
CN(CCN1CCOC1=O)C[C@@H](O)CCl	1961461008	FXFFWMWLBRBJOI-QMMMGPOBSA-N	236.699	-0.030	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	1961571173	KAMVAJHNFUKLKT-UYXSQOIJSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1962322156	LMXAQPKEVFDEHW-XSPKLOCKSA-N	213.281	-0.811	50	10	BBGE	
CCN(CCC(=O)NN)Cc1nc(C)no1	1976745112	KWYWGOWLVYKHRO-UHFFFAOYSA-N	227.268	-0.420	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CCO[C@H]2C1	1981243831	YTVPJVYWVIGTIR-KXUCPTDWSA-N	227.308	-0.278	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C)C2)c(B(O)O)c1	1981468608	FKNARSBYUREFLU-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cc2F)C1	1981468988	KSVTVIIQJMEMHD-SSDOTTSWSA-N	224.044	-0.253	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2ccc(B(O)O)n2)OC1	1981581911	JMWXZYYJQQJTLH-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H]1Cc2nncn2C1	1983008234	OJHKSBCGCVLJHM-SFYZADRCSA-N	238.678	-0.193	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1984192956	JRGNJFZJXGIGOK-UTINFBMNSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CN(C)Cc1cncnc1)C(=O)NN	1984240998	IRFSKVWJJGCDER-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
C[C@]12CCCN(CC(=O)NN)[C@@H]1CCOC2	1984472374	WWDJPHNUDUTNPE-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
CC1CC(COc2ncncc2B(O)O)C1	1989574296	OZEPPMFAHXDCKS-UHFFFAOYSA-N	222.053	-0.419	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCOC[C@@H]1CO	1991651558	IVMWQEPEIZPGPH-YUMQZZPRSA-N	247.678	-0.178	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@H](CCO)C1	1991656294	FZPPIWWIPVMJDZ-MRVPVSSYSA-N	246.694	-0.509	50	10	BBGE	
C=C(CN(C)CCn1ccnc1C)B(O)O	1992160612	YRZPPAMKRATFQX-UHFFFAOYSA-N	223.085	-0.308	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	1992538385	XGXBOLDMQVIJIB-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
C[C@]1(CN2CC(=O)OC(=O)C2)CSCCO1	1993445618	QYKDQHVGIPAAHP-JTQLQIEISA-N	245.300	-0.106	50	10	BBGE	
CN(CC12COC(C)(C1)C2)C(=O)C(=O)NN	1993941372	ZTUMOCLTKPQOOI-UHFFFAOYSA-N	227.264	-0.996	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2[C@H](C(=O)O)CO[C@H]2C1	1997993988	AOZSFJKVHDBXOJ-PRJMDXOYSA-N	243.263	-0.796	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCNC[C@H]1C	1999361561	MKOWTFDXLIPXBU-PSASIEDQSA-N	242.323	-0.917	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@H]2CC[C@@H]21	2002916313	NQDKYLGQXKHMGT-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C(F)(F)F)nc1	2004911560	IMZOHOWJPQAKGG-ZCFIWIBFSA-N	246.985	-0.703	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@@H](C)CC[C@H]2C)n1	2005014608	NUUOENLPGPPTBZ-OCAPTIKFSA-N	235.096	-0.158	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](C(C)(C)O)C1	2005912128	HMIHWLKBWOBCDC-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CCO1	2005913042	NYJMAUPXYBXESS-IMSYWVGJSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)CCCCCN1CC2(CC[C@H]2O)C1	2009517969	OEDXZJGBBNUIPK-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CCCN(C)C1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2017467168	TZFPALVXDPYBQG-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(c2cnn(C)c2)C1	2019131562	AZEZCFMDWPXYSW-QMMMGPOBSA-N	237.307	-0.412	50	10	BBGE	
C[C@H](CN1CC(c2cnn(C)c2)C1)C(=O)NN	2019133267	KVWPKFKQPOZKJO-MRVPVSSYSA-N	237.307	-0.555	50	10	BBGE	
N#Cc1ccc(C(=O)NCC=CB(O)O)cn1	2020067892	LXKFPHJMTBPGIK-UHFFFAOYSA-N	231.020	-0.749	50	10	BBGE	
C=C(CN1CCC[C@@H]2CN(C)CC[C@H]21)B(O)O	2021157749	QFSNUYYWEMNUHH-VXGBXAGGSA-N	238.140	-0.029	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@@]2(CO)C1	2021657257	VGWVQRZTYPAUAT-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C12COC(CN3CC4(CC4)C3)(C1)C2	2023853646	OSHYNNILUZJPGZ-UHFFFAOYSA-N	237.303	-0.379	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1CC12CCC2	2040763863	VPRJNUHSVVGKRH-SECBINFHSA-N	246.075	-0.110	50	10	BBGE	
NNC(=O)c1cncc(CN2CC=C[C@@H](O)C2)c1	2046611357	LWUFBQNEZDRPOS-LLVKDONJSA-N	248.286	-0.582	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)Cc2ccco2)n1	2052623979	CRFWYVNWGVFWJH-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCc1cccnc1	2058155765	MOOVJJSASVRAPN-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
CCOc1c(B(O)O)ccc(OC)c1[N+](=O)[O-]	2060017763	DMWNAZBVJASAJJ-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccn2ccnc12	2076075542	FFFNFGKGBRYGLH-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccn2nccc12	2076082856	YGGVGVBPUOVOKV-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CSC1CNC1	2209907182	RZSWUURTVZDIMZ-SVRRBLITSA-N	215.322	-0.293	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCCOCC1	2211839284	RYQCMICIQAGBNU-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
N#Cc1nccn1CC1(C(=O)NN)CCC1	2212264875	DJCUSORIDCHQKR-UHFFFAOYSA-N	219.248	-0.085	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1(C)COC1	2212267636	WYPJYMRBAYDFMM-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C=C[C@@H](CO)Nc1cc(B(O)O)c(C)cn1	2212604524	PVJJAKLWVKNDBM-QMMMGPOBSA-N	222.053	-0.971	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@@H]32)c1F	2212606312	RTMZGBCAPAWWHZ-XPUUQOCRSA-N	222.028	-0.501	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC2(COC2)C1	2215777862	VPLCOWNSNRHNSF-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1nccc(B(O)O)c1F	2217181710	TYXDGTWDGGOYND-YUMQZZPRSA-N	239.059	-0.808	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)C[C@@H]1CN	2223631904	CFAIMZBENHTFMD-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@H]1CN	2223637574	GCABTELWTWSBLZ-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCO[C@H]2C2CC2)nc1	2223646853	QDNKYMANWICOFQ-ZJUUUORDSA-N	249.079	-0.864	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1Nc1cc(B(O)O)ccn1	2223671675	PEXUHJUSFUIJJB-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
N[C@@]12CC[C@@H](CN(c3ccc(B(O)O)cn3)C1)C2	2223672878	VFHKLWNYLDRLBT-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
O=C(N=S1(=O)CCC1)C1(B(O)O)CC1	2241479234	UJHIARSRBGLAML-UHFFFAOYSA-N	217.055	-0.608	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2242756968	HHSMHYQHTSQIJP-HXFLIBJXSA-N	249.694	-0.399	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccoc1B(O)O	2243361768	GWQLQBMGPFHJIF-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
CN[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243396085	HFGOTCVDOUMZCZ-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CF)sc1B(O)O	2243398976	WCWIMCMMDTYGPE-ZCFIWIBFSA-N	245.084	-0.176	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2243407130	LXJBVOOBRWZYAY-SSDOTTSWSA-N	222.053	-0.710	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243410492	CFFBIBATUFJNFN-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2243427162	RELKXEXRZSNBQS-DJLDLDEBSA-N	226.085	-0.907	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1cocc1B(O)O	2244210563	GDIQANGJKZJMMG-ZCFIWIBFSA-N	241.077	-0.805	50	10	BBGE	
CCC1(OCc2nscc2B(O)O)COC1	2245013047	BWLHSKCXJFYYDF-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H](C)C2CC2)n1	2247232948	KNJASLGIKBNACX-ZETCQYMHSA-N	237.064	-0.053	50	10	BBGE	
CN(C)c1ccncc1NC(=O)C#CB(O)O	2247741639	CLRMTLYCJKCMGP-UHFFFAOYSA-N	233.036	-0.899	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1cc(B(O)O)c[nH]1	2247743795	JJDAWVSXNSXULQ-MRVPVSSYSA-N	235.052	-0.883	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1ccoc1B(O)O	2247743989	LYZUYBKTZFYIRG-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1occc1B(O)O	2247749921	BRKLVWACPJZUPB-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1C	2247801355	ZXSXGUSNVOJIKG-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](CO)C(C)(C)C	2247810737	ZTQODTHIHSIQDP-VGMNWLOBSA-N	243.112	-0.285	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCOC1	2247855067	MWTKXECAIYLQIT-AFWXGSBKSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2247860688	ZWCUXUWQWHWPQU-UTINFBMNSA-N	240.112	-0.504	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC(F)C1	2247868266	RMUDEXYGZFVUFR-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
O=C(N1CCC[C@H]2CNC[C@@H]21)C1(B(O)O)CC1	2247874756	TVJPWFQGOQIGHS-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1CO[C@@H](C2CC2)C1)C1(B(O)O)CC1	2247879311	SJTHNLBEPRAAEQ-DTWKUNHWSA-N	239.080	-0.323	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247887589	POHLBLZUBKWDCL-JLIMGVALSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1CO	2247895213	QBUCCNOHMVFMFR-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898385	CZKKXJYYNBIUOR-AEJSXWLSSA-N	241.096	-0.125	50	10	BBGE	
NCc1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)c1	2247899154	KUIIRJQYXFINRN-VHSXEESVSA-N	234.064	-0.053	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247900286	VOTBGDHDGBYKKN-RKDXNWHRSA-N	235.052	-0.702	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)[C@H]1CO	2247901988	BNRSOULFVPPWJN-HACHORDNSA-N	241.096	-0.531	50	10	BBGE	
O=C(Nc1nccc(F)n1)C1CC(B(O)O)C1	2247909142	FVLXOFSTJXFFTC-UHFFFAOYSA-N	239.015	-0.193	50	10	BBGE	
COC(=O)C1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2248259009	APKWKYKGQVLFDQ-LJGSYFOKSA-N	241.052	-0.939	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(F)cc1B(O)O	2248441248	FLPHBNUQKSSNGM-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251003707	VXJLDZRSGHIEGT-BMNUFHGDSA-N	241.096	-0.389	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3C[C@H]3C2)n1	2254703988	JQZWICNXKAFXJI-BDAKNGLRSA-N	248.091	-0.384	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ccncc1B(O)O	2255455825	GAMFQTCETHVLFE-JQWIXIFHSA-N	248.091	-0.320	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255522536	LCUPJZWVEWGADP-QWRGUYRKSA-N	248.091	-0.464	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255674280	XAGJNCNHSMCKJC-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
O=C(C#Cc1ccccc1)NCCC#CB(O)O	2258961069	OICDSYHSQLVIRI-UHFFFAOYSA-N	241.055	-0.440	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298374613	DMMVVDDEKHSFTR-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298374671	HYIHPVPQJQTFBU-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1CCC1(F)F	2298971921	XGVVEDANUYNVAH-ZCFIWIBFSA-N	244.006	-0.420	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2299248869	HAWNDXBFKVWOOX-DTWKUNHWSA-N	239.080	-0.469	50	10	BBGE	
Cn1cnn(CCCCCCC(=O)NN)c1=O	2300614620	ACGWNFYAAIDYSN-UHFFFAOYSA-N	241.295	-0.478	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(CC(F)(F)C(=O)NN)C2	2301491921	JWRHPYWBATYPMB-ZXFLCMHBSA-N	249.261	-0.543	50	10	BBGE	
CC[C@@](C)(CN(C)CCNC(C)=O)C(=O)NN	2303427473	YTYPXXQBAGQRIJ-NSHDSACASA-N	244.339	-0.540	50	10	BBGE	
CCN1CC(Nc2cc(B(O)O)c(F)cn2)C1	2303848269	WZRFGHHXDUZLQH-UHFFFAOYSA-N	239.059	-0.984	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@@H](C)[C@@H]1C	2304213640	SLCAMZFGOSXHIC-NRPADANISA-N	243.307	-0.755	50	10	BBGE	
C[C@@]1(N)CCN(c2ccc(B(O)O)cc2C#N)C1	2317163415	XLQPWTGQVBFBIE-GFCCVEGCSA-N	245.091	-0.834	50	10	BBGE	
COCCNC(=O)C(C#N)=CN1CCNCC1	2324623558	XFOVKJKDRNJLRL-UHFFFAOYSA-N	238.291	-0.938	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCS(N)(=O)=O	45085324	BEULVNWFUGRBLT-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
COC(=O)CN(CC(=O)NNC(C)=O)C(C)C	50063711	KHVVOTNUQYTFLJ-UHFFFAOYSA-N	245.279	-0.963	50	10	BBGE	
NNC(=O)CCN(CCO)c1ccccc1	58862124	LWXSBBPSFNVGAD-UHFFFAOYSA-N	223.276	-0.135	50	10	BBGE	
C=CCNC(=O)COc1ccc(C(=O)NN)cc1	66056667	QVHDGLNXCKNQCR-UHFFFAOYSA-N	249.270	-0.029	50	10	BBGE	
CCCC(=O)N1CCN(C(=O)NN)CC1	71519027	LIAMKYGZOHIGNX-UHFFFAOYSA-N	214.269	-0.486	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCO[C@@H](CCl)C1	88096208	GZRUYYSLGMCGIM-IUCAKERBSA-N	249.694	-0.132	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3CC[C@H]2O3)CC(=O)O1	133372608	QEEMIVPPECUFAR-BWZBUEFSSA-N	211.217	-0.308	50	10	BBGE	
O=C(O)C[C@@H](CNC(=O)CCCl)C(=O)O	170310687	CBPBCBWKOUQRSW-YFKPBYRVSA-N	237.639	-0.093	50	10	BBGE	
CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	210346553	YZYFOKXDBHHJLB-RKDXNWHRSA-N	228.101	-0.637	50	10	BBGE	
COC1=CC(C=O)=C[C@@H](OC)[C@]1(O)C(C)=O	215641279	JLESQKIMSKNNJM-MWLCHTKSSA-N	226.228	-0.009	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444620	KMOLODUYYBSPAN-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
NC(=O)COCCNC(=O)CCCl	230042562	TTXNCVRETPYANG-UHFFFAOYSA-N	208.645	-0.767	50	10	BBGE	
CCN(CC(C)(C)O)[C@@H](COC)C(=O)NN	232420474	NYTCZTJBWLKOHE-QMMMGPOBSA-N	233.312	-0.916	50	10	BBGE	
C[C@@H](CN)SS(=O)(=O)[C@@H](C)CN	238405301	WLTCGIGDHXDEJY-WDSKDSINSA-N	212.340	-0.256	50	10	BBGE	
O=C(OCCCl)c1cc(=O)[nH]c(=O)[nH]1	238568800	SXYQLGWHZFONGY-UHFFFAOYSA-N	218.596	-0.541	50	10	BBGE	
OB(O)c1ccnc(F)c1C(F)(F)F	238630074	DUZIDBPWKUUAFK-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
COCCOCc1ncccc1C(=O)NN	300739744	HGVLOCVZFDCSBW-UHFFFAOYSA-N	225.248	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)C(C)(C)C1	304580129	QNIRCPAIVNCFRA-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCl)o2)C[C@H]1O	306320304	KCZZTOAVCARMHD-PHDIDXHHSA-N	233.655	-0.402	50	10	BBGE	
Nc1cccc2sc(B(O)O)c(N)c12	307115750	OBJVZGHJZUQWPN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C1CC[C@@H](NS(=O)(=O)CCl)CCN1	307347497	QEDHYPFVWNMKNM-ZCFIWIBFSA-N	240.712	-0.229	50	10	BBGE	
NNC(=O)CN1CCC2(CCOCC2)C1	308921599	KMKSNENIKDPCPZ-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CNCCS[C@H](C)[C@H](C)C(=O)NN	382649585	RRIGMFIZKKJDID-NKWVEPMBSA-N	205.327	-0.047	50	10	BBGE	
CC(=O)NNC(=O)CNCCc1ccco1	393749380	AVOQIVWJNUMVCR-UHFFFAOYSA-N	225.248	-0.421	50	10	BBGE	
CN1C[C@@H](NC(=O)CCCCl)C(=O)N1	393908005	RJSCGMLNXVRWRB-ZCFIWIBFSA-N	219.672	-0.533	50	10	BBGE	
N#Cc1cc2cc(CO)sc2cc1B(O)O	396218809	KBIDXUHBNADBRV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cc2c(B(O)O)ccc(O)c2s1	396386835	RSLMGHMFCOSZSF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398756658	UARTWEULIPAIPF-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cncc(OCC[C@@H]2CCOC2)c1	400948101	VOBMTUMAGDOFOA-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
C[C@@H]1CC[C@@H](N2CC(=O)OC(=O)C2)CO1	401401916	NTVMELGDLXOMSH-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1=COCCO1	405026454	LIMXOQJWFWJYQI-UHFFFAOYSA-N	249.031	-0.807	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cl	575458921	FISDTJDFTMXBSG-WHFBIAKZSA-N	227.669	-0.253	50	10	BBGE	
C[C@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H](C)[C@@H]1O	688121129	CDLJUNUMEREPBV-QGKZMRNZSA-N	243.351	-0.050	50	10	BBGE	
COC[C@](C)(CO)N(C)CCCC(=O)NN	689808384	CAFKRTUGCCXETL-JTQLQIEISA-N	233.312	-0.914	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H](O)C1CC1	690157104	WJWAKJNQWMVCTP-NRPADANISA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CN1CCC[C@@H]2COC[C@@H]21)C(=O)NN	690722427	XPKNUENQLOFHEN-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(C=O)CCOC2)CC1	692098244	RPURSLVSQRFVBX-NSHDSACASA-N	238.287	-0.058	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@@H](Cl)C2)n1	697204452	RGAABBNXRHYZIM-RXMQYKEDSA-N	215.644	-0.337	50	10	BBGE	
CC(=O)Nc1ccc(C(=O)NCB(O)O)s1	701957159	XRAKNSONBARXGU-UHFFFAOYSA-N	242.065	-0.552	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccsn1	705768671	DBINTEDRNDWGBO-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(n2cncn2)C1	707171632	HKLPWHSIUZGYHT-MRVPVSSYSA-N	238.295	-0.707	50	10	BBGE	
C[C@@H]1CN(C)CCN(CCC(=O)NN)C1	708291790	VOLBTINCSFPDJC-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	710210445	PIZHHBHLUTVAOU-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12CCN(CC1)C2	715564994	LJIDWQVNTASKAP-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CN(C)CC#CCNS(=O)(=O)CCl	717891083	IXOJQPKKLGOZKW-UHFFFAOYSA-N	224.713	-0.333	50	10	BBGE	
C[n+]1[nH]cnc1N[S@+]([O])(=O)CCCl	725555392	YCTGBSORVSJHIX-ZDUSSCGKSA-O	225.681	-0.355	50	10	BBGE	
Cc1cc(NNC(=O)[C@@H]2COC(=O)N2)ncn1	863875165	NCVSZDWOXAUQIO-LURJTMIESA-N	237.219	-0.663	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H]1CCC(=O)O1	867279081	RVARBWPFCJFGHD-ZCFIWIBFSA-N	229.236	-0.616	50	10	BBGE	
O=C(CCF)NNC(=O)c1cc[nH]n1	912306657	LWJAXQHSEWAIDQ-UHFFFAOYSA-N	200.173	-0.470	50	10	BBGE	
CCn1cc(CC(=O)NNC(=O)C(C)C)nn1	1135555116	LYYMIARZYPDQSM-UHFFFAOYSA-N	239.279	-0.356	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCOCC1)C(N)=O	1339395693	ODRQTGPZDJLGQN-SSDOTTSWSA-N	215.253	-0.155	50	10	BBGE	
CNC(=O)NNC(=O)CCc1cnccn1	1442146390	SNRIOHVNRQNHAL-UHFFFAOYSA-N	223.236	-0.631	50	10	BBGE	
Nc1ccnc(C(=O)NNC(=O)NC2CC2)c1	1464484093	SNQNDBVWKJWVSY-UHFFFAOYSA-N	235.247	-0.230	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1NC(=O)C(=O)NN	1884880771	CMYZFFRNHNUHNI-NOWQDGDBSA-N	207.180	-0.864	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1886137305	FRAVSKITULKMHK-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN)CC(F)(F)C1	1886549827	LIGGXXXQVJKVLX-YFKPBYRVSA-N	209.196	-0.074	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CC#N	1888553868	DDDJVGHNYLZDSU-UHFFFAOYSA-N	219.266	-0.397	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@H]2Cl)nc1CO	1893099410	OUESWJBQWVMFCQ-PHDIDXHHSA-N	216.672	-0.232	50	10	BBGE	
CO[C@@H]1CC(C(=O)NNC(N)=O)C[C@H]1OC	1895313369	BHUPRTTWVMSVSU-RNFRBKRXSA-N	231.252	-0.874	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@@H]1C	1896023757	UMXXJKQYBAMIEO-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1C=CCN1	1896460062	HBEXCCWYSKGWFR-SSDOTTSWSA-N	214.652	-0.048	50	10	BBGE	
N#CCCC1CN(CC2(C(=O)NN)CC2)C1	1900621517	JTOMGGVLCLBHMW-UHFFFAOYSA-N	222.292	-0.008	50	10	BBGE	
CN(NC(=O)c1ccccc1O)S(C)(=O)=O	1901340386	DASOTZCCZSCXSB-UHFFFAOYSA-N	244.272	-0.072	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C=C[C@H](N)C1	1901343618	FKQJWZDBFQFJGE-YUMQZZPRSA-N	247.320	-0.798	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C#CB(O)O)C[C@@H](C)S1	1901581555	DKCADSYJHWQDKT-AYMMMOKOSA-N	241.121	-0.209	50	10	BBGE	
C[C@H](COCc1nc(B(O)O)cs1)N(C)C	1902659138	ZNBWYMVWQWHGMD-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
C[C@]12CO[C@](C(=O)NNC(N)=S)(C1)C2	1904625349	XIHWNGVSOZZZDM-OCAPTIKFSA-N	215.278	-0.580	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21	1906975059	AEORQVJRAAXTBS-XVMARJQXSA-N	247.245	-0.226	50	10	BBGE	
Cc1cccn(C[C@@H](C)C(=O)NN)c1=O	1912229959	WSEQREWQGDPOQH-MRVPVSSYSA-N	209.249	-0.217	50	10	BBGE	
CCCS(=O)(=O)N(CC)CC(=O)NN	1913477263	XFIFSMWNVZCUIY-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CCOC2)C1	1915584098	VJBUOYRESWTCKU-SECBINFHSA-N	227.308	-0.277	50	10	BBGE	
N=c1[nH]nc(SC[C@@H]2C[C@@H]2C(=O)NN)s1	1927917998	OKEWJMPWKMBSLG-IMJSIDKUSA-N	245.333	-0.331	50	10	BBGE	
C=CCN(CC=C)CCOCC(=O)NN	1928179612	RUZFKSHZIWBFEK-UHFFFAOYSA-N	213.281	-0.333	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C)CC(=O)NN	1929070000	BXARNOOHLFUMBY-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
O=C(CCn1cnnn1)N1CC[C@@H]1CCl	1929731606	OTUYQMNYRPAVGL-SSDOTTSWSA-N	229.671	-0.097	50	10	BBGE	
O=C(CCOC1CCC1)NNCCO	1929834355	ACZGSALNILYKOX-UHFFFAOYSA-N	202.254	-0.441	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N2CCC2)C1	1932052587	FWFNRPOISVWQAR-QMMMGPOBSA-N	212.297	-0.855	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2CC(=O)NC2=O)C1=O	1932174368	QZCKGKCFXWMVNW-MLUIRONXSA-N	230.651	-0.511	50	10	BBGE	
C#CCN(CCCl)C(=O)CS(C)(=O)=O	1933487883	WSNKAJBOHCPDOA-UHFFFAOYSA-N	237.708	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@@]2(CO)C1	1937053914	OFTFWMNPNPLJAF-KBIXCLLPSA-N	227.308	-0.685	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@]2(CO)C1)C(=O)NN	1937054529	RGIZPIFRRGWVNH-KCJUWKMLSA-N	227.308	-0.683	50	10	BBGE	
COC1CC2(C1)CC(C(=O)NCB(O)O)C2	1939667018	QYQNMVOPNYRPRN-UHFFFAOYSA-N	227.069	-0.680	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN2CCC[C@@H]2C1	1940886916	HAGNSULFWUXYJJ-MRVPVSSYSA-N	248.277	-0.608	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1C	1941090464	ZYHKAPYSOFFFNE-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
COC[C@@]1(O)CCN(CCCCC(=O)NN)C1	1946479868	XNNQEFGFKFLVLH-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@H](O)[C@H](C)O	1954511741	UTKOYADIVKQHKM-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H]1CN(C)NC1=O	1955559439	QHRAGDLVXQIBDM-RITPCOANSA-N	219.672	-0.535	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NNCCO	1956204608	BKVUJYYYYUXDBT-WDSKDSINSA-N	208.208	-0.109	50	10	BBGE	
NC(=O)CN(CCCCCl)CC(N)=O	1956256206	KWRUILIUNQSAFL-UHFFFAOYSA-N	221.688	-0.722	50	10	BBGE	
COCCCOc1nc(B(O)O)cs1	1956954620	NELHVXUETQOAAH-UHFFFAOYSA-N	217.055	-0.762	50	10	BBGE	
O=C(CCCl)NC1[C@@H]2CS(=O)(=O)C[C@@H]12	1957281379	QVARAACZFFZUGS-PHDIDXHHSA-N	237.708	-0.226	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)C[C@H](C)Cl	1957308767	XUDLCFMKRGHEAE-WDSKDSINSA-N	223.656	-0.346	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@H](C)CC(=O)NN	1959510555	DYLUBLPUSPGJPC-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H]2C[C@@H]21	1961508513	JZNUWFBMPBHIGG-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@@H]1C[C@H]1C(=O)O	1962387617	QEGDVSHCVLVHQQ-LYFYHCNISA-N	215.253	-0.129	50	10	BBGE	
CCCNC(=O)Nc1ccc(B(O)O)cn1	1976029139	CBTRTURQABAFCI-UHFFFAOYSA-N	223.041	-0.707	50	10	BBGE	
CC(C)OC1CN(CC2(C(=O)NN)CC2)C1	1976056997	AYLKEZANSFLBFG-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
CO[C@@]1(CN(C)CC(=O)NN)CCCOC1	1979280740	IANHDWCTWSEFLV-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc(C(F)F)o1	1979649602	ZNWYNCGTRHVYHP-UHFFFAOYSA-N	233.174	-0.177	50	10	BBGE	
Cn1nnnc1N1C[C@H]2COC[C@@H](C1)C2Cl	1979910845	VYFASZXACRGBKK-DHBOJHSNSA-N	243.698	-0.100	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(CO)CCCC1	1980805254	ZIWVWDRSKIRNQA-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C[C@H](N(C)[C@H](C)C(=O)NN)CCN1C	1980816996	HTFFFTBFUCBOCN-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H](CF)C2)CC1	1981246246	ASDLNQFJXCLMOS-MRVPVSSYSA-N	231.271	-0.573	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)c1nc(B(O)O)cs1	1981468861	JEWNBVHBOLYJCS-NKWVEPMBSA-N	242.109	-0.706	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@H]1C[C@@H]1C(=O)NN	1982383129	MYDZRFOLXNIFEL-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1985470131	JNZGCHGWNCDCFX-VFCFLDTKSA-N	227.308	-0.829	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	1986731146	ZOVQEQHICKDZIC-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([N+](=O)[O-])C1	1989301022	RBBJPSDXYXXREU-MRVPVSSYSA-N	230.268	-0.648	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1991679972	NBMVAVCMPXFYJB-PBXRRBTRSA-N	249.650	-0.254	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(CC2(C(=O)NN)CC2)C1	2001934707	WRMPXGLELARJCW-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1Cc2cnn(C)c2[C@H]1C)C(=O)NN	2003028943	ZXGRXKJAAZJJFH-JGVFFNPUSA-N	237.307	-0.077	50	10	BBGE	
C[C@@H](O)[C@H]1CN(CCCCC(=O)NN)CCO1	2005913930	VGQVYLJFTFZASN-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
COC[C@H]1CC[C@@H](Cn2cc(B(O)O)cn2)C1	2010880917	AYNANVSRRRUKOC-ZJUUUORDSA-N	238.096	-0.374	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@@]1(O)CCOC1	2013283921	HCSONAGBDMHUMK-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](F)C2	2017215950	WMZLGXNLUNMCNT-DOLQZWNJSA-N	245.298	-0.044	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CO[C@H]2C[C@@H]1C2	2019211386	QIYASRHPCWOYHC-AEJSXWLSSA-N	241.291	-0.737	50	10	BBGE	
CC(C)COCC(=O)N[C@@H]1CCC=C1B(O)O	2020068853	VXNPCFAYXWBCGJ-SNVBAGLBSA-N	241.096	-0.124	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C2(CC2)C1	2052468751	IJBTXPXBINWIRW-SECBINFHSA-N	247.107	-0.075	50	10	BBGE	
Cc1ccc(B(O)O)c(C=O)c1[N+](=O)[O-]	2060282628	PAWXGBYZIPNOOG-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1	2074933800	MXFQENQZRHXKHI-BJDJZHNGSA-N	249.314	-0.092	50	10	BBGE	
NNC(=O)N1CC(OC(F)(F)CF)C1	2209917548	KKVWZWIDSZYBHT-UHFFFAOYSA-N	213.159	-0.167	50	10	BBGE	
C[S@](=O)Nc1nc(B(O)O)ccc1Cl	2210099552	UADQBXHJMKFYAT-AWEZNQCLSA-N	234.473	-0.880	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	2210213661	OZOZTPPKNNVIRL-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](CCCO)C1	2210537550	YKCVHXLRPJPPCK-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
COCc1nc(=N[C@H]2COC[C@@H]2Cl)n(C)[nH]1	2211634610	WRDBZWIKFOLXLR-BQBZGAKWSA-N	246.698	-0.199	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CC1(C(=O)NN)CCC1	2212249182	MKPBDHKOOKGQPU-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2212602277	BHAKFSJHWSLTSC-DTORHVGOSA-N	222.053	-0.649	50	10	BBGE	
CC[C@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212605303	BJOHYDTUWSORED-QMMMGPOBSA-N	222.097	-0.050	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)ccn1)C(C)C	2212615609	RLLDVZDLZSVKLV-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215776375	MKKSUBUVMBIRLJ-JFGNBEQYSA-N	239.319	-0.375	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2217178905	CFGZFGUNLIWOSA-SVRRBLITSA-N	240.043	-0.653	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2C(F)F)c1F	2217183729	KPWMEMYDCCLOPN-ZCFIWIBFSA-N	245.997	-0.256	50	10	BBGE	
C[C@]1(CCOc2ccc(B(O)O)cn2)CCN1	2217196593	SVVGUVAWIKTFAK-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
CC1(C)C[C@@H](Nc2ccc(B(O)O)cn2)[C@H]1O	2217200691	VHRDFDJYBPENND-PSASIEDQSA-N	236.080	-0.667	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3CCCC[C@H]32)nc1	2217204705	NPJDQDYLWKUNRD-ILWJIGKKSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1C(=O)N(Cc2cccc(B(O)O)c2)C[C@@H]1C	2220062367	KMCDUULDFQJJLP-UWVGGRQHSA-N	247.103	-0.019	50	10	BBGE	
Cc1cnc(NC[C@]23CNC[C@H]2C3)cc1B(O)O	2223652266	HNJLDTRTUQBZTA-SKDRFNHKSA-N	247.107	-0.909	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2223668966	DLWBNEIZDYGBDW-MWLCHTKSSA-N	249.123	-0.887	50	10	BBGE	
CC1(C)CCNC[C@@H]1Nc1cc(B(O)O)ccn1	2223671581	OFIJQALNZNZFBS-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
CC1(C)NCC[C@@H]1CNc1ncccc1B(O)O	2223672102	DBCXKOKPCPFDDB-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cnc(NC2C[C@H]3C=C[C@@H](C2)O3)nc1	2223677415	NTQOSHHFWFRTIC-PBINXNQUSA-N	247.063	-0.946	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(B(O)O)sn1	2243377982	KNRDTNDDURARDM-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccoc1B(O)O	2243398238	CEICRFCGMVBGFM-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2243403745	CAZWCLMZFOTCEN-KHONBHQKSA-N	227.069	-0.467	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C1)O2)C1(B(O)O)CCC1	2243411682	YICBSYQGTDZXHZ-OCAPTIKFSA-N	225.053	-0.617	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N1CCC1	2243427269	SMJRKPLTQUMOFI-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
OB(O)c1ccnc(SCC2COC2)c1F	2244505160	LXLQGRBBUNGDKJ-UHFFFAOYSA-N	243.068	-0.361	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2cccnc2C1	2245437434	YQEWGAFPUHCPMN-QMMMGPOBSA-N	220.276	-0.182	50	10	BBGE	
CC[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247733789	QHXLHGHOOILYQX-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
O=C(N1CC[C@@H]2C[C@]2(O)C1)C1(B(O)O)CCC1	2247734064	RGNVMSXSUQXDDE-KCJUWKMLSA-N	239.080	-0.633	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ccn(C)n1	2247754566	MYCSZJXTHWLSJQ-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)[C@H]1CCCO1	2247754854	GAZOOKWVUZSMLR-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CON(C(=O)c1ncccc1B(O)O)C(C)C	2247771324	VFVDOJNWDOBGDP-UHFFFAOYSA-N	238.052	-0.827	50	10	BBGE	
Cc1nccnc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785507	LSNOMMYODOSNTE-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247787304	NFQQXOOUCLVSLG-CVPUBMOQSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(C1CCC1)C1CNC1	2247790474	HRBPXKPFLBDNGZ-UWVGGRQHSA-N	238.096	-0.798	50	10	BBGE	
CC1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CNC1	2247792234	RJQABMLOOGFDGW-DTORHVGOSA-N	240.112	-0.645	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)[C@H](O)CC	2247793757	ZSANOUNXQXXXMA-HORUIINNSA-N	243.112	-0.095	50	10	BBGE	
CC(C)(CC(N)=O)NC(=O)C1CC(B(O)O)C1	2247796635	BMUNSHGLBDNXFJ-UHFFFAOYSA-N	242.084	-0.990	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(N2CCCC2)C1	2247798733	WRXVWEKSDPOPFP-VHSXEESVSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)C1)C1CC(B(O)O)C1	2247799197	ARBMBNJQEHLQBR-NFTFJBJSSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]1c1ncon1	2247799369	CKLPMGIEJSCEBZ-FSDSQADBSA-N	237.024	-0.794	50	10	BBGE	
COC(CN(C)C(=O)C1CC(B(O)O)C1)OC	2247800736	SCFRHEVOTBMRJZ-UHFFFAOYSA-N	245.084	-0.683	50	10	BBGE	
Cc1ccc(C(=O)N2CC(C)C2)c(B(O)O)c1	2247873471	JYINJBSGRKTUHT-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
CCN(CC(=O)OC)C(=O)C1(B(O)O)CCC1	2247877115	CBBINEXOSVBYAZ-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1occc1B(O)O	2247877156	CLWNMAMKQFGDQM-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247888021	UZUFNMGJHUYVDR-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
Cn1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c1=O	2247888132	WIZVHARVXPVIFT-RQJHMYQMSA-N	236.036	-0.813	50	10	BBGE	
CN(C)C1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895528	AOQUZNVRJFSJMG-KYZUINATSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](F)[C@@H](CO)C1	2247895947	CNCXUQHYGDZECR-FNCVBFRFSA-N	245.059	-0.972	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(CCO2)CC1	2247899052	KBRUCOOQPPEMNO-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)no1	2247899202	LHYZKNQBHXHVEW-RNFRBKRXSA-N	239.040	-0.801	50	10	BBGE	
O=C(NC1CC2(CNC2)C1)C1CC(B(O)O)C1	2247906594	YPRMZWMQGTWXOZ-UHFFFAOYSA-N	238.096	-0.892	50	10	BBGE	
CC(=O)c1ccc(NC(=O)C#CB(O)O)nc1	2248226968	NNRKJIJITZHVKO-UHFFFAOYSA-N	232.004	-0.762	50	10	BBGE	
COCCCCNC(=O)c1cc(B(O)O)co1	2249408781	HJYBBRYABNIVMW-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249410191	XUSMAMDSJUKNDW-IUCAKERBSA-N	237.064	-0.266	50	10	BBGE	
CC(C)C1(NC(=O)c2cocc2B(O)O)CC1	2249429287	FBZPNNCIDSHRBO-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)oc1C)C1CC1	2255448007	AGONTUPUCGCWKK-SNVBAGLBSA-N	247.059	-0.591	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1ccncc1B(O)O	2255449498	NWBIWFGHRXOBDE-PELKAZGASA-N	248.091	-0.463	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2255453026	DIKOREPIEZQBFO-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
CC=CCCNC(=O)c1ncc(C)cc1B(O)O	2255555461	BCDRVEFXSIHTQX-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255669031	IKDRPNGWDAQPJA-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@@H]2CC[C@H]21	2255685500	BGAZYTXVHLRWSG-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
C=C1CCN(C(=O)c2cncc(B(O)O)c2)CC1	2255711322	XTSQFJPBOJDOEK-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC1CC(CNC(=O)c2ccc(B(O)O)cn2)C1	2255722935	VVLDWWYKRBRUII-UHFFFAOYSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2occc2B(O)O)C1	2255741267	CKHYNJNDPQNGHY-IUCAKERBSA-N	247.059	-0.509	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1nccnc1B(O)O	2256061452	UKZHMSFOSNONDX-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
O=C(O)Cc1ccccc1NC(=O)C#CB(O)O	2256918917	RSFZRSBJQIHLSD-UHFFFAOYSA-N	247.015	-0.732	50	10	BBGE	
O=C(c1cocc1B(O)O)N1Cc2conc2C1	2258127489	JQGQXWBKQGGJAI-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@]1(C)O	2298375787	ZJOXOZJFRSKKOE-UYAYMFIHSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376092	HRZCRULUSFDFLF-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
C[C@H](COC[C@@H](C)N1CCOCC1)C(=O)NN	2301604416	CLEDXXXRKVGJTJ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)CC1(O)CC1	2301919988	XBQHEYQCOFMKDI-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)C1(B(O)O)CCC1	2302517388	WNIPVAUOGVBCPK-SECBINFHSA-N	243.112	-0.141	50	10	BBGE	
COc1ccc(CN2CC[C@H](B(O)O)C2)nn1	2303099927	TZVKDUYNIXTLSU-QMMMGPOBSA-N	237.068	-0.466	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCO[C@H]2CCOC2)C1	2303161090	LMRXAJDZGPKKLK-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
COC(=O)C(C)(C)COCC(=O)NNC(C)=O	2303398913	AFRUHIRCKGMKNL-UHFFFAOYSA-N	246.263	-0.631	50	10	BBGE	
CC[C@](C)(CN1CCN(C)[C@H]2C[C@H]21)C(=O)NN	2303424901	WWNGGIZOUDGPHG-HOSYDEDBSA-N	240.351	-0.219	50	10	BBGE	
O=Cc1ccc(NCc2cn[nH]c2)cc1B(O)O	2317306317	LRWCSPPLPHOSPI-UHFFFAOYSA-N	245.047	-0.486	50	10	BBGE	
N#C/C(C(N)=O)=C1/NC=Nc2[nH]cnc21	34069209	DKVUQZWCOIZJIT-PLNGDYQASA-N	202.177	-0.607	50	10	BBGE	
CC(C)[C@H](O[C@@H]1CCOC1)C(=O)NN	82465448	AQPZSANXAMUULM-SFYZADRCSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCSC2=O)O1	82471406	YHHPUHUWKMTFLK-RNFRBKRXSA-N	245.304	-0.307	50	10	BBGE	
CCN1CCN([C@H](C)[C@@H](C)C(=O)NN)CC1	86313272	WBGMAIULSNZTMU-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCO)C1CC1	86313650	CNZPFGSELWDALE-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CCOCC(=O)NNC(=O)c1ccnc(C#N)c1	194529853	WIUREQIOSDFGIM-UHFFFAOYSA-N	248.242	-0.249	50	10	BBGE	
Cc1ccccc1-n1cc(B(O)O)cn1	203614951	HAPBYKNRTUPUTF-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
C[C@@H](Oc1ccc(Cl)cc1B(O)O)C(=O)O	213825803	VHXJHZHXSLZJFI-RXMQYKEDSA-N	244.439	-0.128	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@H](O)CC[C@H]2C1)C(=O)NN	228124857	QCDZXNCYFIEHJT-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CN1CC[C@@H](NS(=O)(=O)CCCl)C1=O	230278426	CCRNAKHJFGAYKA-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
Cn1nnc(Br)c1/C=C/B(O)O	236101594	FIWSZRINTBKARF-NSCUHMNNSA-N	231.846	-0.397	50	10	BBGE	
COc1c(F)ccc2cc(B(O)O)[nH]c12	238409149	JHZMLDROLHDTDE-UHFFFAOYSA-N	208.985	-0.005	50	10	BBGE	
C[C@@H](CO)c1ccc2c(c1B(O)O)OCO2	258415422	LLDLVLJQRHBAAP-LURJTMIESA-N	224.021	-0.809	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](OC)[C@H](OC)C1	300045075	HPIMPTLGSMYMFE-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](C)(CO)C1	307142963	FYDMNVVEVWRIKF-APPZFPTMSA-N	201.270	-0.931	50	10	BBGE	
Nc1sc2cccc(B(O)O)c2c1N	307531671	WEIQCMHWUNTVCL-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CC1(C)O[C@H]2[C@@H](O)CN/C(=C\C#N)[C@H]2O1	308759851	WIMLSGGTZJODEX-RXBLEQLYSA-N	210.233	-0.122	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2B(O)O)N1	309552712	MEDYZQSURUMMJJ-IWSPIJDZSA-N	226.085	-0.870	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ncccc1=O	314722665	ZZXALEOTEHIHKF-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[S@](=O)CC1	321919397	TUWDSOJGIFJMNZ-BEPCFFQHSA-N	247.364	-0.545	50	10	BBGE	
CSCCOC[C@H]1CC[C@@H](C(=O)NN)O1	378692886	CLEVJMFQRHANKO-SFYZADRCSA-N	234.321	-0.097	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1CCO)C(=O)NN	379867465	OUJFYYBJQAWNPM-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H](O)C(=O)NNc1cc(Cl)[nH]c(=N)n1	381634425	NSFFEYWPTDOAIX-BYPYZUCNSA-N	245.670	-0.243	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C)(OC)C1	382608796	XDKKUZVWUHNKFG-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
COC1(C)CN(Cc2ccccc2B(O)O)C1	382615852	PZIGBFYISLZFSF-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(CN)C1	389692374	HXMPEIVKJNKBHD-SCZZXKLOSA-N	214.313	-0.574	50	10	BBGE	
Nc1ccc2scc(CO)c2c1B(O)O	396242357	KBSVREGMEZQHDI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(CCCO)CC1	401070073	MVFCCLHATFZHBT-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCC[S@@](=O)Nc1cc(B(O)O)ccn1	404821603	NZWWNZRBEOPYJN-OAHLLOKOSA-N	228.082	-0.753	50	10	BBGE	
CC1(CC(=O)Nc2ncc(B(O)O)s2)CC1	405034402	QMNQIPHENZPUHZ-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
CCNC(=O)N(C)Cc1cc(B(O)O)cs1	405062982	FMSJNLAQEVELAD-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCOC[C@@H]1O	575562692	BEYCIJVBQDKQGB-ACZMJKKPSA-N	207.657	-0.120	50	10	BBGE	
CN1CCC(=O)N(C[C@H](O)CCl)C1=O	689024357	BCOLHFSLKIXZBS-ZCFIWIBFSA-N	220.656	-0.130	50	10	BBGE	
CCN(C[C@H](C)O)[C@H](C)CC(=O)NN	692155087	DWVPYHCQBSMLQH-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CCN(C[C@@H](C)O)[C@@H](C(=O)NN)C(C)C	692176639	ZPQJYUFTIUXDIQ-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
CCN(CCCC(=O)NN)[C@H]1CCN(C)C1	693438470	PLDJTABQCRQLHH-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CNCCN(C)[C@@H](CC(C)C)C(=O)NN	695077831	KZTKHYASFGHQKQ-VIFPVBQESA-N	216.329	-0.458	50	10	BBGE	
C[C@@H](CN1CC[C@@]2(CCOC2)C1)C(=O)NN	707277475	BACAJSLLZPHXIT-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@@H](CO)C1	707588114	AHGJUIKJXQYETI-BZNPZCIMSA-N	225.244	-0.326	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](O)[C@H]1C	718893277	SFCVNBWBTTTYEK-SGIHWFKDSA-N	229.324	-0.154	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1C[C@H](O)C1	720981482	LGAQSQYOGZRBDP-FNCVBFRFSA-N	225.244	-0.326	50	10	BBGE	
Cc1[nH]ccc1C(=O)NNC(=O)c1cnn[nH]1	749986177	IHLIMEMTRHADGH-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@]1(C)CCCO1	854690077	PGIAPMOIQXXZCO-MNOVXSKESA-N	242.275	-0.360	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H]1C[C@@H](O)C1	874246925	FMHPQBSWOTUVDM-KNVOCYPGSA-N	215.253	-0.504	50	10	BBGE	
C=C(CCN(C)C)C(=O)NNC(=O)C(C)(C)O	907627197	PDBDQZPYFCBJKU-UHFFFAOYSA-N	243.307	-0.587	50	10	BBGE	
CCOC(=O)C/C(N)=C(\C#N)S(C)(=O)=O	1088695056	QKZWYZLIXOTKEU-SREVYHEPSA-N	232.261	-0.322	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)C1CCC1)NC(N)=O	1118311721	IPAWQTTYUAVBBZ-LURJTMIESA-N	242.279	-0.619	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cccnc1O	1567686190	KHSURCDTIOPIFA-UHFFFAOYSA-N	239.231	-0.681	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)NCC(F)(F)F	1568226142	YLUDSAJLTJZFHH-UHFFFAOYSA-N	241.169	-0.572	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1CC1(F)F	1625912718	QHUXSIWILMLKBS-BYPYZUCNSA-N	207.180	-0.056	50	10	BBGE	
NC(=O)CCC(=O)NNc1ncccc1F	1627211007	IREOUAOTHDBELX-UHFFFAOYSA-N	226.211	-0.071	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1ncccn1	1630233947	CIUXHFMWIPWXSS-QMMMGPOBSA-N	249.274	-0.668	50	10	BBGE	
Nc1ccnn1CC(=O)NNc1cccnn1	1632515334	GYZUNKBHIDIXDX-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
C=C=CCNC(=O)c1cc(B(O)O)ccc1F	1637466988	KLOGOTXNGPIUII-UHFFFAOYSA-N	235.023	-0.424	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCN(C)C1	1640520071	PHHBNZXBVSUFEA-VIFPVBQESA-N	215.297	-0.453	50	10	BBGE	
CCOC(=O)[C@@H](CC(N)=O)NC(=O)CCl	1865982748	PSVVGZUYXMZESO-RXMQYKEDSA-N	236.655	-0.852	50	10	BBGE	
NOCCNC(=O)[C@@H]1C[C@@H]1Br	1877391439	FIIYOQDIZJZFNS-UHNVWZDZSA-N	223.070	-0.224	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1C[C@H]1CO	1877520911	RRKDVKCBPXJQGZ-AUGZYCGMSA-N	203.625	-0.195	50	10	BBGE	
NC(=O)CNC(=O)C1CC(Br)C1	1881350077	YAODPWLLMYKADM-UHFFFAOYSA-N	235.081	-0.239	50	10	BBGE	
CN(C)C(=O)C1CN(C(=O)CBr)C1	1881969944	LMHXIDXPDYEPAU-UHFFFAOYSA-N	249.108	-0.072	50	10	BBGE	
O=C(NCC[C@@H](O)CO)[C@@H]1C[C@@H]1Cl	1883637862	BKKSSTPYAFXWAH-QYNIQEEDSA-N	207.657	-0.527	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)Cn1ccnn1	1884829997	YINBMQMNUWWFSO-ZETCQYMHSA-N	212.640	-0.365	50	10	BBGE	
C[C@@H](N[S@@](C)=O)c1cscc1B(O)O	1886862848	QWNIHLNNONAZCE-FPHPLZIGSA-N	233.123	-0.628	50	10	BBGE	
CN(NC(=O)CCCCO)S(C)(=O)=O	1888562130	POVRCEHOUMCFCH-UHFFFAOYSA-N	224.282	-0.928	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@]1(O)CCNC1	1893109244	XXBKXIPJGZTBBI-OOZYFLPDSA-N	218.684	-0.546	50	10	BBGE	
NC1CC(O)(CNC(=O)[C@@H]2C[C@H]2Cl)C1	1893446714	QDBBLIBWIONIIL-KYRXRGEHSA-N	218.684	-0.418	50	10	BBGE	
O=C(O)[C@H](CCO)NC(=O)[C@@H]1C[C@@H]1Cl	1893475067	PKLMFHJMGVZVPH-SRQIZXRXSA-N	221.640	-0.435	50	10	BBGE	
C[C@@H](O)[C@H](N)CNC(=O)C1CC(Cl)C1	1893482693	YGKCAWPUGNPCOZ-LFHVAVFRSA-N	220.700	-0.172	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](F)[C@H](O)C1	1893504749	LYWNVIIXOGRBKJ-AUGZYCGMSA-N	221.615	-0.151	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)OCCl)CC[C@@H]12	1894270303	MSJYKQFRHNXTQC-RITPCOANSA-N	246.650	-0.086	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CCC[C@@H]21	1895099045	ORAWJUSWFKQGIY-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)NN)COC1(C)C	1897074058	ZIPKJKXFMMLNFY-WDSKDSINSA-N	203.242	-0.648	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1C[C@H](N)C1	1901339871	VCUBELHJZFJLJY-ZKCHVHJHSA-N	249.336	-0.574	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](C)N1	1901340449	FAKAUUQTPDRZNI-JGVFFNPUSA-N	249.336	-0.560	50	10	BBGE	
N#CC1CN(C[C@H]2CCC[C@@H](C(=O)NN)O2)C1	1909808743	PMQSEWWZDLKITH-ZJUUUORDSA-N	238.291	-0.631	50	10	BBGE	
CN(C)NC(=O)N1CC[C@]1(C)C(=O)O	1912442003	POXBWXINCKDBES-MRVPVSSYSA-N	201.226	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CCOC2)C1	1915583748	SITNRGLSYLHITK-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
O=C1NCC[C@H]1NNC(=O)C(F)(F)F	1923408074	SLBVOGMXKHZMQU-GSVOUGTGSA-N	211.143	-0.942	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C(=O)N1C	1927868996	ONFKKTVGPXCBML-ZETCQYMHSA-N	214.269	-0.488	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COC[C@@H]1CCl	1928745383	ZZTOJJZFOSNJHG-NTSWFWBYSA-N	217.660	-0.702	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)CC(=O)NN	1932222925	YZESTPKWKWRSLT-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CSC1CN(CC2(C(=O)NN)CC2)C1	1933241289	QDQJNTPXZXZRLU-UHFFFAOYSA-N	215.322	-0.196	50	10	BBGE	
CO[C@@H]1C[C@@H](N(C)CC(=O)NN)C1(C)C	1934924645	YXHWGDCJQNPNPO-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
CC1(C)CN(CC(F)(F)C(=O)NN)C(=O)O1	1935927355	BGVMIWGSLJLDTB-UHFFFAOYSA-N	237.206	-0.158	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937460681	JMJQUERGZSHYRC-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C(F)(F)C12CCCC2	1938866109	QADNMGDBEOUCNU-LURJTMIESA-N	233.023	-0.060	50	10	BBGE	
CCn1cc(Cn2cc(B(O)O)cn2)c(C)n1	1940184865	XQXCPUWAMIMMBX-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
Cc1nc(C#N)n(C[C@H]2C[C@@H]2C(=O)NN)c1C	1941090613	PQESMHFDUOHJIS-BDAKNGLRSA-N	233.275	-0.002	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H](F)[C@H](O)C2)c1	1944306871	FINPXGDCBIYAIM-DTWKUNHWSA-N	243.238	-0.602	50	10	BBGE	
CC1(CO)CN(Cc2cc(C(=O)NN)co2)C1	1951071782	CTRMMOFSTYGHAJ-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@H](N)[C@@H](O)C#N	1953031744	RRJCGQGAPIONGN-BQBZGAKWSA-N	224.220	-0.909	50	10	BBGE	
CC[C@H](Cl)C(=O)N(C)CCS(N)(=O)=O	1955569274	MPQGBJXZRZUIQD-LURJTMIESA-N	242.728	-0.249	50	10	BBGE	
CC1(C(=O)N2CC(Cl)C2)CS(=O)(=O)C1	1956901189	UPMYQVVZCHHREZ-UHFFFAOYSA-N	237.708	-0.129	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1N1CC(=O)OC(=O)C1	1957890644	AVYMZRMONJSNLP-HTQZYQBOSA-N	212.249	-0.536	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@H]2CCOC2)C1	1961483645	VUAAIEBCRQYYGI-JGVFFNPUSA-N	215.253	-0.693	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCCC[C@H]1O	1961675534	CKZDACVNFPLPGB-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961927296	UBZKPKFSVCHIIT-VCQFTWBDSA-N	233.695	-0.044	50	10	BBGE	
C[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	1976994241	HIIFTRQJNRWECT-CAHLUQPWSA-N	229.041	-0.925	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1[C@@H](C)[C@H]1C	1977236690	DVWZBGYDJPQEAH-JLIMGVALSA-N	229.324	-0.175	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H](O)C1	1980551874	LNRKDLNOOVUDKV-SECBINFHSA-N	229.280	-1.000	50	10	BBGE	
CC(C)N1C(=O)CN(CCC(=O)NN)C1=O	1980762431	YBDSZXLLDGZOEG-UHFFFAOYSA-N	228.252	-0.961	50	10	BBGE	
NNC(=O)CCN(CCO)Cc1ccsc1	1981026084	KUUFJCBYTMZLNH-UHFFFAOYSA-N	243.332	-0.078	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCCN2CC(=O)NN)C1	1981046744	VPIJEBLBDJNVOC-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CCCCCN(C)c1ncc(B(O)O)cn1	1981409721	QLEONZRNTILZLV-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
CC[C@@H]1CCN1c1ncnc(C)c1B(O)O	1981446458	YTUXSRMBHGRKEC-MRVPVSSYSA-N	221.069	-0.546	50	10	BBGE	
OB(O)c1cnc(SC[C@@H]2CCCO2)nc1	1981454983	SAGRXXRNMAJAOQ-QMMMGPOBSA-N	240.093	-0.573	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](C)[C@@H]1C	1981470573	BZIAYIYTSMDGTA-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC[C@@H]2O)CC1	1987463556	CPDRTOQQAXHZTP-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC([N+](=O)[O-])C1	1989301475	VZACNOINSVRUES-SSDOTTSWSA-N	230.268	-0.648	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1CCCC1	1991331323	ZMLZKGGFOKHAPH-SECBINFHSA-N	224.069	-0.107	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)C=CC(=O)Cl)C1	1991650561	DINYKCPMAYSPDO-UHFFFAOYSA-N	246.650	-0.979	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@H]32)CC1	1992329174	RTLAJHLLUSDOQF-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
C[C@]1(O)CN(C(=O)/C=C/C(=O)Cl)CC[C@H]1O	1993583114	OMDZQHYAUAWQRH-ZVAGAUQRSA-N	247.678	-0.348	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H](CO)CCC1(C)C	1994867475	HYASFXANHLGEHT-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
COCCOC[C@@H]1CCCN1CCC(=O)NN	1996848768	RAUKNZAHQCXJQC-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](C(N)=O)CC12CC2	2002289948	IPCVVTFWSGPSCJ-SFYZADRCSA-N	240.307	-0.905	50	10	BBGE	
Cc1cc(C)n(C2CN(CCC(=O)NN)C2)n1	2004369573	PLOKNZFQPDCOKU-UHFFFAOYSA-N	237.307	-0.263	50	10	BBGE	
CCN(C[C@H](C)OC)c1ncc(B(O)O)cn1	2004920188	HRWWHHJTGXDLPO-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(F)(F)C2)n1	2005018105	OQRJAXZOGFLZQB-UHFFFAOYSA-N	243.022	-0.771	50	10	BBGE	
COCCOCOc1ccc(F)c(B(O)O)c1	2005062066	BDBBFBMYJJLVFZ-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
CN(C1CC1)C1CN(CC2(C(=O)NN)CC2)C1	2005177063	LGXSNOBROLSYPW-UHFFFAOYSA-N	238.335	-0.465	50	10	BBGE	
CN(C)[C@H]1C[C@H](Oc2ccncc2B(O)O)C1	2012099184	GZUSHNVBFMCYGN-KYZUINATSA-N	236.080	-0.767	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2016366381	XCIBVNIEFRBJMS-YWSWWFCPSA-N	239.319	-0.423	50	10	BBGE	
C=CCN(CC(=O)NNC(C)=O)[C@@H](C)COC	2019209867	LAWWRAXJMAIORL-VIFPVBQESA-N	243.307	-0.323	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(O)cc1O	2020060797	CXFPXTPMQIKVOC-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2026821305	RDBMFULRISPKIV-QPJWQJBDSA-N	231.060	-0.205	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1cocn1	2042253862	ZSWBZGLZDCIDHP-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
Cc1ncnc(N2CC(C(C)(C)C)C2)c1B(O)O	2052556626	NHMUWUDXKSGYLD-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N(C)CC2[C@@H]3CC[C@@H]23)ncc1B(O)O	2052560513	YQYCZKIZECBAAW-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2N)CC1	2053917426	FADIVAFRSDEYSJ-DBIOUOCHSA-N	249.314	-0.153	50	10	BBGE	
Cn1c(B(O)O)cc2c(Cl)ncnc21	2086867280	DCBIYLWHAIEDOY-UHFFFAOYSA-N	211.417	-0.699	50	10	BBGE	
N#Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)nc1	2208732478	VABOUDIAXIAHMA-VIFPVBQESA-N	245.047	-0.358	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](F)C[C@@H](O)C1	2209174368	NSJXBACJFIBJRH-XLPZGREQSA-N	211.664	-0.009	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN([C@@H](C)C(=O)NN)C[C@H]21	2210601584	YLWSUKWDNGTYLX-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](COCc1ccc(B(O)O)s1)N(C)C	2211072786	QVQQXTWKRIUNJR-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
CN1CCC[C@H]1COCC(F)(F)C(=O)NN	2211854755	RATWDXBSYAKTTO-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C=C[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	2212602833	KKEZQQYHGSVPAV-MRVPVSSYSA-N	219.053	-0.831	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1CSC1	2212616074	ZGKYLCLLQRIOLL-ZCFIWIBFSA-N	239.109	-0.680	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2(CCCO2)C1	2215772771	PWWZOGVWQZPIEL-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H]2CO[C@@H](C2)C1	2215776405	MOWKUPOGWXHDOK-VLEAKVRGSA-N	239.319	-0.277	50	10	BBGE	
CC[C@](C)(CNc1cc(B(O)O)ccn1)OC	2217178372	VHXSXWWOPXPJTQ-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
CC(C)(C)NCCOc1ncccc1B(O)O	2217183720	KOAVGJXSXHLAOV-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@@H]32)c1F	2217185267	UVIAWSQVWYZANG-APPZFPTMSA-N	236.055	-0.111	50	10	BBGE	
CC1(C)C[C@@H](Oc2ccc(B(O)O)cn2)CN1	2217185634	ZPWYJFNWZCTJMT-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
CCOC1CC(Nc2ccc(B(O)O)cn2)C1	2217197462	MURUVEUCAOCPFD-UHFFFAOYSA-N	236.080	-0.259	50	10	BBGE	
COC[C@H]1C[C@H]1CNc1cc(B(O)O)ccn1	2217200968	NAUVYCYQOKMAIC-DTWKUNHWSA-N	236.080	-0.544	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC2CC(F)C2)c1	2217204198	GQIBIJFBTNEUDM-UHFFFAOYSA-N	238.071	-0.267	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC[C@H]2C[C@H]2C)n1	2220938441	ZQVGPJVXDXTXDV-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNCC2(CC2)C1	2223628664	UZBSJPVZSBKFNI-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
C=CCO[C@H]1CCN(c2ncccc2B(O)O)C1	2223637441	FSPKVUVJONNHKN-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNCC23CCC3)nc1	2223661117	DHTFBVNBBLMIKK-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Oc1cc(B(O)O)ccn1	2223663845	ZSWVGJWOLRKQTC-SCVMZPAESA-N	248.091	-0.734	50	10	BBGE	
CC1(CN)CCN(c2cc(B(O)O)ccn2)CC1	2223670215	UPLJXLGIJXCMPV-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
CCOC(=O)c1scc(B(O)O)c1C	2241493099	JTAYMDBSXLFMJG-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCSCC1	2241494831	DSAGAMDIFUYMGQ-RQJHMYQMSA-N	215.083	-0.575	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1coc(B(O)O)c1	2243347597	OGFPSXJWUPLMOL-VDTYLAMSSA-N	243.455	-0.684	50	10	BBGE	
COCCCCNC(=O)C1(B(O)O)CCC1	2243348204	VFGFDIIPPIQJNC-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
C=CCN(CC)C(=O)c1ncsc1B(O)O	2243358948	MEPBEAAGHLNTQS-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
COCCN(C(=O)C1(B(O)O)CC1)C1CC1	2243363583	JESMFJCCLYMCMG-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)CCO1	2243364989	GFPRPFHCWBTXRH-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2243381895	KCOLLKQZILRNMQ-ACZMJKKPSA-N	233.023	-0.037	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2243390740	ANLFNNHOMFELOO-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1SCCC[C@@H]1N(C)C(=O)C#CB(O)O	2243399644	OJMDMJGPFRLQFS-IUCAKERBSA-N	241.121	-0.256	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@@H](C)C1	2243401244	OJULXPCXVVSJSC-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
Cc1nc(C(=O)NCC(C)C)c(B(O)O)s1	2243404329	MLTGJQDLCUIQOU-UHFFFAOYSA-N	242.109	-0.483	50	10	BBGE	
C[C@@H](NC(=O)c1ccsc1B(O)O)C(F)F	2243409404	HHLAJQGPPWEJHC-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(CO)CC1	2243414856	JGMQZKRMHVDXAJ-ZKCHVHJHSA-N	227.069	-0.777	50	10	BBGE	
CC(C)[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420289	PVAUCIUUTOPDKD-CIUDSAMLSA-N	229.085	-0.628	50	10	BBGE	
C=CC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243758150	AUNZXLXHUWJJLB-LURJTMIESA-N	227.025	-0.861	50	10	BBGE	
O=C(Nc1ncccc1O)[C@@H]1C[C@@H]1B(O)O	2243758889	MYTLFUIEKQTNSI-RITPCOANSA-N	222.009	-0.411	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccccc1Cl	2243918374	FPLBPVXOJXFNDE-UHFFFAOYSA-N	241.678	-0.011	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(B(O)O)co1	2244213356	DJSVDZVULFMTMO-MRVPVSSYSA-N	221.021	-0.758	50	10	BBGE	
C[C@@H](CN1CCn2cncc2C1)C(=O)NN	2244396066	DSOFQAIZSSQXJH-QMMMGPOBSA-N	223.280	-0.675	50	10	BBGE	
NNC(=O)C(=O)NC1CCC2(CCS2)CC1	2244987454	JNTLJLOPJTVBSR-UHFFFAOYSA-N	243.332	-0.089	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@@H](C(=O)O)CO1	2246545377	BGXJTHYGQJFDSF-SFYZADRCSA-N	245.279	-0.358	50	10	BBGE	
O=C(N=c1ccnc(F)[nH]1)C1(B(O)O)CCC1	2247749873	AUXJIWBFWDTBFD-UHFFFAOYSA-N	239.015	-0.627	50	10	BBGE	
CC[C@H](NC(=O)c1c[nH]nc1B(O)O)C1CC1	2247796778	CSPSIGQORGLHTJ-QMMMGPOBSA-N	237.068	-0.992	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCO1	2247798077	PZSNTNINYMTWLN-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)C[C@H](N)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247803364	ASWNWWPTLJDJOY-CIUDSAMLSA-N	240.112	-0.565	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247807495	INZUYQCYKSJLIT-RGOKHQFPSA-N	238.096	-0.988	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ncc[nH]1	2247807501	IOBHDFWBWWIZJP-RNJXMRFFSA-N	237.068	-0.160	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807757	JBEFLCMEGDDKFT-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CN2CC[C@H]1C2	2247809748	QZXPZWSGTSGGAF-JXUBOQSCSA-N	238.096	-0.988	50	10	BBGE	
C#CCN(CC#C)C(=O)c1cc(B(O)O)cs1	2247854242	ZESFQBYYKDIZTC-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247854646	GNBPLYSTIQRFAR-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
CCN(O)C(=O)c1c(F)cc(B(O)O)cc1F	2247871505	CIIOCANDHHKYHE-UHFFFAOYSA-N	244.990	-0.504	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCC(F)F)c1	2247874126	JGHOLNMXUCWHPX-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N(C)C1CC1	2247874572	RWXWOOXUMNEBLR-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CN1)C1(B(O)O)CC1	2247878590	ONCSSZKVZMIYCX-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2247888075	VPPLGMQXDRLQKH-HOTMZDKISA-N	239.080	-0.372	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247888407	ZEDHASDSVSPPBJ-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@H]1B(O)O	2247897690	WCSCOIWGWRFSEF-QCLAVDOMSA-N	241.096	-0.626	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898336	CMQIJUFJBSLJHM-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(B(O)O)cc1O	2247985873	NTZHOZPPNBXSSN-LURJTMIESA-N	241.027	-0.840	50	10	BBGE	
C=C(C)C(=O)N1Cc2ccc(B(O)O)cc2C1	2248396188	WPFXNABOXAHURN-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@H](F)C(=O)O	2248587338	OGMPUYDNEQPJAT-GBNDHIKLSA-N	247.031	-0.976	50	10	BBGE	
COc1c(C)cccc1CNC(=O)C(=O)NN	2249010322	UPAHYULOZIBSAZ-UHFFFAOYSA-N	237.259	-0.390	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](C1)[C@H]2O)C(=O)NN	2249558033	MMNCEDJIUZEBPE-ILWJIGKKSA-N	241.335	-0.295	50	10	BBGE	
Cc1cc(CNC(=O)c2cc(B(O)O)c[nH]2)co1	2255466964	GVOWWONHGTVHPW-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C1CCC1	2255487372	OAMKZZPHCAIZNI-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
C#CCC1(NC(=O)c2occc2B(O)O)CCC1	2255490808	NSGCSCNUHDUFIC-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC(C#N)C1	2255510544	XLDQUCMIZACZMK-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1cocc1B(O)O	2258143707	IWKKOICKBFZSET-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](O)[C@H]1C2	2298165369	XFUHTSOFNXDPDJ-LXUNUROVSA-N	239.319	-0.542	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368583	NFRJFOBNNXPYDN-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369843	HIYOZPZUHUIKSZ-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](C1)C2(F)F	2298371790	VZEAKQXKILQCFJ-WCTZXXKLSA-N	245.034	-0.037	50	10	BBGE	
CC1(C)CNCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375644	UCFCCDOUTJGZCZ-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300370787	NHKOXMPWOVYUJL-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C)CCCC(=O)NN	2302060120	NCVUUIGCRDXQJB-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
C=C1CC(CN=c2cc(B(O)O)c(F)c[nH]2)C1	2303847881	PTGRYWBDJAPRNM-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303860248	DNRHZCLDRXGUAM-RNFRBKRXSA-N	242.059	-0.595	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2304182225	JWGXGEHIIOQFRP-CHHOWFRJSA-N	241.096	-0.533	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2304187879	VHGJBDIZPGMYBS-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CC[C@H]1C2	2311431065	VQBOFRKXLDWTML-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2C[C@@H]3O)c1	2315491238	LOQKTAIWRVJVMS-MIMYLULJSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CCOC1	2317165671	NEZCISFESUSWRV-SECBINFHSA-N	247.059	-0.347	50	10	BBGE	
C[C@H](CCCN)Oc1ccc(B(O)O)cc1C#N	2317206461	OFLCLEHIXAWEIA-SECBINFHSA-N	248.091	-0.256	50	10	BBGE	
O=Cc1ccc(OCCNC2CC2)cc1B(O)O	2317352088	SNAINPNNUVHDTF-UHFFFAOYSA-N	249.075	-0.690	50	10	BBGE	
NC(=O)N/N=C(\CO)c1ccc([N+](=O)[O-])o1	33839225	WQKNUJXZXQMAKZ-RUDMXATFSA-N	228.164	-0.448	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCCS(N)(=O)=O	54715728	QADOUYOFJPQGFN-LURJTMIESA-N	242.728	-0.344	50	10	BBGE	
Cc1ccc(NC(=O)COCC(=O)NN)cc1	58837156	RBZHBVMWVOWBEM-UHFFFAOYSA-N	237.259	-0.060	50	10	BBGE	
C[C@@H](CNC[C@@H]1CCCO1)C(=O)NN	58854777	YNQJLBIMYUTSOU-YUMQZZPRSA-N	201.270	-0.619	50	10	BBGE	
CC1(C)[C@H]2CC[C@]1(C(N)=O)C(=O)OC2=O	59600188	LDOJEYJKQSTIMH-RRAGMBSWSA-N	211.217	-0.022	50	10	BBGE	
NC(=O)[C@H]1CCCCN1S(=O)(=O)CCl	70650505	BNAKBOKEYQLFLD-ZCFIWIBFSA-N	240.712	-0.148	50	10	BBGE	
COC[C@@H](C)N(C)CC(C)(C)C(=O)NN	86597872	VACZSJQEVJZGEE-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC2CC2)CC1	104108927	HTBIODNJDVELOI-NSHDSACASA-N	240.351	-0.218	50	10	BBGE	
CN1CC[C@@H](CN2CC(=O)OC(=O)C2)C1	111217717	DUXRDBXBPDETBJ-MRVPVSSYSA-N	212.249	-0.677	50	10	BBGE	
NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	160530940	QDTGBFXJBFNXBV-NKWVEPMBSA-N	212.253	-0.830	50	10	BBGE	
Cc1cc(CN2CC[C@@H](N)C2)oc1C(=O)NN	203226827	FJGVTFFVAIUUIP-MRVPVSSYSA-N	238.291	-0.275	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NN)[C@@H]1C	229471553	GDZSQUCNABTKIV-GJMOJQLCSA-N	213.281	-0.131	50	10	BBGE	
CO[C@H]1CCCN(CCC(=O)NN)C1	230357539	LDANCPAPLKNAJM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[S@@](=O)CCCNS(=O)(=O)CCCl	232301411	TZDRVPIMISYINA-GFCCVEGCSA-N	247.769	-0.087	50	10	BBGE	
C[C@H](O)C1CCN([C@@H](C)C(=O)NN)CC1	235528150	DVHMFWGICXWZDY-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CCNc1nc(O)nc(NNC(C)=O)n1	238258772	CKPWHYJFJCRUGA-UHFFFAOYSA-N	212.213	-0.528	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)C[C@H]1O	299914971	QTZBNMYRIMJGES-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CO[C@H]1CCN([C@H](C)CCC(=O)NN)C1	300044415	BZDWPFOTPZUPRX-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)[C@H](N)CN1CCSSCC1	307274115	LPGINQPSUOUTOV-ZCFIWIBFSA-N	221.351	-0.504	50	10	BBGE	
Nc1ccc2c(B(O)O)csc2c1O	307471790	RXNROFVRMMADAG-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CO[C@@H]1O[C@@H]2[C@@H](Cl)C(=O)O[C@@H]2[C@H]1O	307574419	HQNVETSECVIEJK-MZYYUKOESA-N	208.597	-0.749	50	10	BBGE	
O=S1(=O)NCCCN1CCOCCCl	308380872	URHCRSSJTRURIV-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
C[C@H](CCl)C(=O)NCCn1ncnn1	379811880	PMXOQHCAIWUCQL-ZCFIWIBFSA-N	217.660	-0.336	50	10	BBGE	
CCOC1(C)CCN(CC(=O)NN)CC1	379949037	DPHRSCPEORDKAC-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CN1C[C@H](NC(=O)NC(=O)CCCl)CC1=O	381001378	OTAHAOUFACLFOP-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)[C@@H]1CCOC1	381226284	HHBZMYXDLMVJIP-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H](C)C(=O)NN)C1	383947390	BFZLZGJOSJRJFY-MRVPVSSYSA-N	215.297	-0.685	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CCCC(=O)NN	385918786	SLPJVOCALZCVRB-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C#N)CN(C)Cc1nc(C(=O)NN)co1	386707323	WUHXXPGYBIPXII-SSDOTTSWSA-N	237.263	-0.130	50	10	BBGE	
C[C@H](N)CSCc1nc(C(=O)NN)co1	387078529	ZDHRHQBNAZUZPJ-YFKPBYRVSA-N	230.293	-0.142	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)[C@@H]1C[C@H]1C	393743840	HOMMKIACDXIKLI-PRJMDXOYSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	394947634	GCGOLQJBVIKHBC-LADJIXMOSA-N	240.351	-0.507	50	10	BBGE	
N#Cc1cc2ccc(B(O)O)c(CO)c2s1	396229357	WFXIHMRUSVPFJH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Cc1ccc(NC(=O)c2cnn[nH]2)cc1B(O)O	405001616	NECGENCFWRZSTP-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
OB(O)c1ccccc1CNCC[C@@H]1CCOC1	585035733	YGGNUNTULVFARP-LLVKDONJSA-N	249.119	-0.117	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)CCC(=O)NN	688168854	GGKGKHBBYPFQKC-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)NCc1cccc(B(O)O)c1	690064606	BXVDJMHZNUBEDA-QWRGUYRKSA-N	249.075	-0.983	50	10	BBGE	
Cn1ncc(N2CC(=O)OC(=O)C2)c1Cl	694201953	RYUHKJYGYOUVHC-UHFFFAOYSA-N	229.623	-0.037	50	10	BBGE	
N#Cc1cccc(Cn2ccc(B(O)O)n2)c1F	694275289	GROVULXNOCUSSX-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
Cc1nn(C[C@@H]2CCCN2C)c(C)c1B(O)O	694277294	SNEFSDXBKYHEBA-JTQLQIEISA-N	237.112	-0.726	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNC(N)=S)cc1	700872369	CLBNMVAPFYSARB-UHFFFAOYSA-N	238.272	-0.737	50	10	BBGE	
Cc1cc(C)c(C(=O)NCB(O)O)c(O)n1	706543807	YAAURVUQWKEQID-UHFFFAOYSA-N	224.025	-0.854	50	10	BBGE	
C[C@H](CN1CCC12CCOCC2)C(=O)NN	707412983	CGGNGXYHIWGKTC-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](C)c1cn(C)cn1	710169606	VPZYSNCCSVJJFG-YUMQZZPRSA-N	225.296	-0.209	50	10	BBGE	
CC[S@](=O)N1CCc2cccc(B(O)O)c21	712243804	JCJZSMOZOZHGIH-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H]3C2=O)n1	715550400	RBSBKEZOHQPKSF-NTSWFWBYSA-N	236.231	-0.744	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ncccn1	718910871	RTGUQTFRBXMELA-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCS[C@@H](CO)C1	720074016	KBZFSBODOFIBHH-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)C1=NCC=N1	725595170	GTGPTIRVBTVHCU-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
Cc1cc(Cl)nc(C(=O)NCB(O)O)c1	725688671	RCEXATJBFRQTIY-UHFFFAOYSA-N	228.444	-0.215	50	10	BBGE	
CN1CC[C@H](CC(=O)NNC(=O)C2CC2)C1	818421449	BVCPTGVOWAABIM-MRVPVSSYSA-N	225.292	-0.114	50	10	BBGE	
COC1(C(=O)NNC(=O)c2c[nH]nc2C)CC1	843793690	WELCKBRMURBTPJ-UHFFFAOYSA-N	238.247	-0.342	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CC1)[C@@H]1CCCS1	854984588	DRANOZRZUZHTFL-YUMQZZPRSA-N	244.316	-0.200	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)CN(C)C)C1CCC1	857110017	REFWDMXHMJNJCM-JTQLQIEISA-N	243.307	-0.490	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNc2cccnn2)C1=O	907328919	HXJNXBAWYSBBSX-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	913015215	NUSWGIPNKNAVRN-BQBZGAKWSA-N	244.247	-0.736	50	10	BBGE	
O=C(CCF)NNC(=O)c1ccnnc1	1332180051	UJFUVFIXYQKWNW-UHFFFAOYSA-N	212.184	-0.403	50	10	BBGE	
O=C(CO)NN=C1CCCS(=O)(=O)CC1	1350465724	OBUHMFFOWPUBCC-UHFFFAOYSA-N	234.277	-0.950	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)C1CC1	1440415333	YTOAGZCLTMKVLI-ZETCQYMHSA-N	210.233	-0.418	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1cn(C)nc1C	1442296158	QTTQFTUMCIGKIL-UHFFFAOYSA-N	239.279	-0.379	50	10	BBGE	
CN(NC(=O)/C=C/[C@H]1CCOC1)C(N)=O	1466167866	NYKQAZQJUBCESX-AIYRYJHASA-N	213.237	-0.379	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)NC1CC1	1542334851	HFQLUDKDTNCQLE-JTQLQIEISA-N	227.264	-0.194	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)Cc1ccccn1	1585640140	OSFHFTWYPFOJRT-UHFFFAOYSA-N	235.243	-0.680	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)c1ncc[nH]1	1628408655	ABEGINWCAZXWMA-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
OB(O)C1=Cc2c3c(oc2=CC1)=CC=CC3	1848440333	HBBFMFKQBPZYKC-UHFFFAOYSA-N	214.029	-0.248	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)[C@@H](O)CO	1883645949	UEKBKEVJSXANRV-WNJXEPBRSA-N	207.657	-0.528	50	10	BBGE	
C#C[C@H](CCl)NC(=O)Cn1cncn1	1884829792	VWQSWVGAWMGFOV-SSDOTTSWSA-N	212.640	-0.365	50	10	BBGE	
CO[C@H]1CC[C@H]1CC(=O)NNCCO	1886968214	IKFYYGKQPOPKIN-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
C[C@H](CS[C@@H]1CC[C@H]1N)C(=O)NN	1887479443	SLEFSUSPYVMHCM-FSDSQADBSA-N	203.311	-0.165	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)/C=C/C(=O)Cl	1893508370	ASWVTCJFPJTWLV-NSCUHMNNSA-N	214.612	-0.503	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	1900376746	NRIXSKWUCFVQKH-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2[C@H](C(N)=O)[C@@H]2C1	1900616353	MBOITVMQXIXKNV-HSNKUXOKSA-N	213.668	-0.220	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CCCN1	1901375862	RSSYSFXMOUSZKH-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CC(C)=C(Cn1ccc(O)cc1=O)B(O)O	1901615071	DPZGNFOUTJFJKG-UHFFFAOYSA-N	223.037	-0.098	50	10	BBGE	
CCn1cc(CN2CC[C@H](B(O)O)C2)nn1	1902514078	VNEHSFXHIGAMJC-QMMMGPOBSA-N	224.073	-0.653	50	10	BBGE	
CN(C)NC(=O)N(CCCO)CCC(=O)O	1902580980	KCWZPHJIGKNVLO-UHFFFAOYSA-N	233.268	-0.668	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@H]1NC(=O)CCl	1906955764	LYMWTZDOZWIACE-RITPCOANSA-N	241.696	-0.847	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CCCCCC(=O)NN	1908889200	BTWXSAZDSJFDQF-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CN(C(N)=O)C1	1917784921	IYCFQAWEBLXHJD-SCSAIBSYSA-N	205.645	-0.507	50	10	BBGE	
COC(=O)[C@@H](C)NNC(=O)C(F)(F)F	1923407594	YPKHWOPTUAWIGJ-GSVOUGTGSA-N	214.143	-0.269	50	10	BBGE	
N#Cc1nccn1C[C@@H]1C[C@H]1C(=O)NN	1927910094	CQUJTXNYSLJQOG-NKWVEPMBSA-N	205.221	-0.619	50	10	BBGE	
NC(=O)COC1CN(C(=O)CCCCl)C1	1928132894	NSEUUPSSOQNCCM-UHFFFAOYSA-N	234.683	-0.282	50	10	BBGE	
C[C@H]1CCOCCN1CCCC(=O)NN	1929659068	ILOUTUVSTJMWQA-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCc1c(C(=O)NNC(N)=S)cnn1C	1932474529	SUAVXZOVXNCTAD-UHFFFAOYSA-N	227.293	-0.540	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936087103	YLGKIXUKWDYKDC-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936088203	KTUWBGMSHCJLKZ-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1941094216	WHZDTAGNGWVFFG-UKKRHICBSA-N	241.335	-0.437	50	10	BBGE	
C#CCOCCON1[C@H]2CC[C@H]1C(=O)OC2=O	1945499221	GTGQHYWCQFKBHL-IUCAKERBSA-N	239.227	-0.516	50	10	BBGE	
N#C[C@H](O)[C@H](N)COc1ccc(CO)cc1	1952820050	CJANVYNVAALNSO-MNOVXSKESA-N	222.244	-0.231	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@H](N)C1	1954216737	ZUYWLNUDBWGXEO-SFYZADRCSA-N	203.673	-0.223	50	10	BBGE	
O=C(OCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955547974	FDFLHVWBPBNLAA-BWBBJGPYSA-N	221.640	-0.255	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NNC(N)=S)O1	1955612635	BDRZENGLNZZYKK-RITPCOANSA-N	217.294	-0.192	50	10	BBGE	
C[C@@H](CCl)C(=O)NCc1nc(=O)o[nH]1	1956990640	QZXHEXZZCKAJNG-BYPYZUCNSA-N	219.628	-0.146	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1[C@H]2CCCCC[C@H]21	1960590679	VMRPMVJOMGJYBM-RNLVFQAGSA-N	211.265	-0.329	50	10	BBGE	
C[C@@H](CN1CC=C(CO)CC1)C(=O)NN	1961389659	HGWLDNVTPPQPQT-QMMMGPOBSA-N	213.281	-0.763	50	10	BBGE	
CN(CC1CC1)c1ccc(B(O)O)cn1	1961691893	RATOYIOYVJZZQV-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)C(C)(C)F	1962167777	GIRIOVHTHCNCTO-RXMQYKEDSA-N	221.232	-0.037	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)N1CC[C@H](B(O)O)C1	1967588479	TXDHCLMOBUYBPX-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CCCN1CC[C@@H](N(C)CCC(=O)NN)C1	1976570103	KWCFDZKSVRSEAW-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCC=C(C)C(=O)N[C@H](CB(O)O)C(=O)O	1976980151	UYUUGZVKFYRFHN-SSDOTTSWSA-N	229.041	-0.615	50	10	BBGE	
O[C@H](CCl)CN1[C@H]2CC[C@H]1[C@H](O)CC[C@H]2O	1977150598	UBAQBAGSXXULSA-ZKKRXERASA-N	249.738	-0.065	50	10	BBGE	
NNC(=O)CN1CCCC[C@H]1[C@@H]1CCOC1	1981082483	KJBKJGJAHSJIQN-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CC1(C)C[C@H](Oc2nc(B(O)O)cs2)CO1	1981425494	HGHRVJIXMWKIJX-LURJTMIESA-N	243.093	-0.231	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CCSC1	1981426377	NLUQCJHIIADCFK-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
C[C@@H]1CSCCN1c1ccncc1B(O)O	1981426678	PPFRIAWCEPTHBK-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)c1ccnn1C	1981561065	XSYDRCDGSYAFOT-HTQZYQBOSA-N	223.280	-0.518	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1csc(C(=O)NN)c1	1985745795	XBGZZVSNEWCODM-SVRRBLITSA-N	241.316	-0.083	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H](F)C[C@@H](F)C1	1985769669	MFANIDWYOUPFJA-MAUMQABQSA-N	233.262	-0.006	50	10	BBGE	
C[C@H](CN1CC(C)(C[S@](C)=O)C1)C(=O)NN	1987036768	HJOPPDGFEYTJBR-BCTVWOGZSA-N	247.364	-0.687	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3COCC[C@H]32)n1	1989936841	TUYFZPHWMNHGPB-NKWVEPMBSA-N	240.093	-0.952	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1csnn1	1991329018	UZZULMCOAKMLPK-LURJTMIESA-N	239.065	-0.631	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3[C@H]2CO)CC1	1992535162	FVKFKGMEUCJNPY-DJLDLDEBSA-N	225.292	-0.931	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1CCCC1	1996646388	UBJXOXFZQRIYRT-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)C[C@H]1C	2004844552	TXZWBNDXTNIAFV-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
Cc1cc(N2C[C@H](F)[C@@H](F)C2)ncc1B(O)O	2005014085	GEROPDZFGSZKPW-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@@H](C(=O)NN)C2)CC1	2010834472	CWTDVBKWTSDKAW-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
CCC1(O)CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010834663	FXAQMXMLLMXIOU-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@H]1CCCn1cccc(B(O)O)c1=O	2011567929	GIAJUTIRUSCDEF-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(F)C2	2017203884	WMZLGXNLUNMCNT-LPEHRKFASA-N	245.298	-0.044	50	10	BBGE	
CC[C@@H]1CCN(CC(=O)NNC(C)=O)CCO1	2019219741	PWRLPCGLONFIML-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CN1CCC[C@@H](CC(=O)NCC=CB(O)O)C1	2020069111	XWWDDKGNCXEENJ-JTQLQIEISA-N	240.112	-0.597	50	10	BBGE	
NNC(=O)C12COC(CO[C@@H]3CC3(F)F)(C1)C2	2023839040	QHXLTFUNHGBBQA-KXNKJCORSA-N	248.229	-0.050	50	10	BBGE	
CN(C)CCOCc1cc(F)ccc1B(O)O	2025715463	YCNBZFFAPMMIDP-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
OB(O)c1cncnc1N1CCc2ccccc21	2052461844	NZQXIOLWNQRFKN-UHFFFAOYSA-N	241.059	-0.149	50	10	BBGE	
O=Cc1ccc([N+](=O)[O-])c(B(O)O)c1F	2060056773	ZXJBNTHSPROHHU-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COc1ccc(C=O)c(Cl)c1B(O)O	2060130840	RYJPPSIVDHIFKU-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1nc(NC(=O)[C@@]23CC[C@H]2C3)ncc1B(O)O	2069481194	QZEKXMGDRVZDEC-WRWORJQWSA-N	247.063	-0.797	50	10	BBGE	
N#Cc1nccn1C[C@]12C[C@](C(=O)NN)(CO1)C2	2082602269	LVLFALHVDRUESX-XYPYZODXSA-N	247.258	-0.706	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)nc1	2086995909	UXBPAVHULSZRIG-LJSJULFESA-N	244.059	-0.955	50	10	BBGE	
C[C@]1(C(=O)N2CCC(B(O)O)CC2)CCOC1	2208630015	WNGQVENMVDSAQH-NSHDSACASA-N	241.096	-0.122	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC(C)(C)O	2211827441	HMONARJYOIOROQ-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C=CC[C@@H](CO)Nc1cc(B(O)O)ccn1	2212612534	LOYKLHCBFMNAKZ-VIFPVBQESA-N	222.053	-0.890	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@H](C)C(=O)NN	2212633547	SFSRYDLEAZPHEL-YFKPBYRVSA-N	228.227	-0.683	50	10	BBGE	
CC[C@H]1C[C@H]1CCn1cccc(B(O)O)c1=O	2215323841	HAXCSBCGDCEMOO-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@@H]1CC[C@@H]1C(=O)NN	2215776233	LPNFSDVWNXEEAZ-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
OB(O)c1ccc(=NCCCOC(F)F)[nH]c1	2217172159	HSBLRWYPSMLUEO-UHFFFAOYSA-N	246.022	-0.776	50	10	BBGE	
C=CCO[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2217178648	YRWMNNSLWVDOIB-SECBINFHSA-N	236.080	-0.814	50	10	BBGE	
CC[C@H]1CNC[C@@H]1Oc1ccc(B(O)O)cn1	2217193779	XJYNOWQOFZLXPK-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CCC[C@@H](CNc1ccc(B(O)O)cn1)OC	2217199353	CASNVRAGNSCQMZ-JTQLQIEISA-N	238.096	-0.012	50	10	BBGE	
CCCC1(O)CN(c2cc(B(O)O)ccn2)C1	2217204353	ILLKPRXLWDUYGA-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CO[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217204364	IPIIUGQPQKWODV-IUCAKERBSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1Cc1cccc(B(O)O)c1	2220064634	XGWBNGPIHSHNNY-PWSUYJOCSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2NCC[C@H]21	2223637775	HAZVLMJLFLCUDO-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N2CC[C@H](N(C)C)C2)cc1B(O)O	2223641299	SICJKPTWALOHMK-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1cnc(NCC2=CCNCC2)cc1B(O)O	2223643149	SDRBKKVYHQUNTC-UHFFFAOYSA-N	247.107	-0.599	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)CC23CC3)nc1	2223650657	PHSDCHFGFAJOFT-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
Cc1cnc(N2C[C@H](CN)[C@@H](C)C2)cc1B(O)O	2223653402	RBJQICYGFOBJIR-UWVGGRQHSA-N	249.123	-0.899	50	10	BBGE	
CN1CCC(C)(Nc2ncccc2B(O)O)CC1	2223653671	UBTJVIAVJIUASR-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)c1cc(B(O)O)ccn1	2223675912	UHZJIQWLNQMDGQ-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
CCCN(O)C(=O)[C@H]1C[C@H](B(O)O)C1	2241495803	MTHYPTMSSRDCDP-LJGSYFOKSA-N	201.031	-0.133	50	10	BBGE	
CC(C)[C@H](CO)NC(=O)C1(B(O)O)CCC1	2243347189	JAOCDFBCPGGUOW-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1nscc1B(O)O	2243349877	RVWHJFHNRDQWEQ-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
CC(C)COCCCNC(=O)C#CB(O)O	2243362494	RUMJJHPPKJEGQP-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
Cc1sc(C(=O)N(C)CCF)cc1B(O)O	2243380920	ALPOWGMCPIWGLA-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
O=C(Nc1ncncn1)[C@H]1C[C@@H](B(O)O)C1	2243383157	UXVBUPKUCHYQLN-OLQVQODUSA-N	222.013	-0.937	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243391427	KMDZPAHCKFCOCS-FXQIFTODSA-N	226.085	-0.894	50	10	BBGE	
Nc1ncccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243396058	GUKHUSRRZVVKPU-WDSKDSINSA-N	221.025	-0.535	50	10	BBGE	
C=CCCCNC(=O)c1ccoc1B(O)O	2243399875	RRUKCCFVVZEZFA-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccoc1B(O)O	2243406615	BMWVIOLCIBYQDX-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
C#CCOCCCNC(=O)C1(B(O)O)CC1	2243409159	CBNCTUIZEPLUOC-UHFFFAOYSA-N	225.053	-0.851	50	10	BBGE	
CN(C)NC(=O)c1cc(Cl)cc(B(O)O)c1	2243410466	BUMGDGJMPDOTFZ-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC=CCC1)B(O)O	2243412241	IXRPEYYZLMZPRH-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)C1CC(B(O)O)C1	2243413708	LWIDRUIWDYXTRO-AFPNSQJFSA-N	224.069	0.000	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243420022	KZJOUOSNXCFDOI-OYNCUSHFSA-N	228.101	-0.565	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)c(F)cc1C	2244181511	ACDGRAQVFCEFDW-UHFFFAOYSA-N	226.012	-0.009	50	10	BBGE	
O=C(NC1CC(F)C1)c1cocc1B(O)O	2244205968	PTMXCBDGVGXRBB-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
OB(O)c1cccc(F)c1Cn1ccnc1	2245308223	CNDIEKGANUXILB-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)o2)CCC1	2247740275	IJWGRTJRZLOMMA-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
COC[C@@]1(C)CCCN(C(=O)C#CB(O)O)C1	2247741181	WCLAISKCRWQSEF-NSHDSACASA-N	239.080	-0.723	50	10	BBGE	
C[C@H]([C@H]1CCCOC1)N(C)C(=O)C#CB(O)O	2247746601	BDIGWLKLVXTQDX-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CNC[C@@H]21)C1(B(O)O)CCC1	2247753249	DHANYGYHAHJLSG-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
CCN(OC)C(=O)c1ccc(C)cc1B(O)O	2247760077	BGHAFBHNTICMRJ-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CC(C)[C@@](C)(CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792269	RVLCNDHFSNECNS-WCABBAIRSA-N	242.128	-0.271	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1CO	2247792794	UXNLSFRXFJXLFC-RGOKHQFPSA-N	241.096	-0.674	50	10	BBGE	
O=C(NCc1ccncc1)C1CC(B(O)O)C1	2247805368	JZGFZYUDPZXVBH-UHFFFAOYSA-N	234.064	-0.049	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](CN)C1	2247809923	SKKBWXUBBXVLCT-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
Cc1ccn(NC(=O)c2ccc(B(O)O)o2)c1	2247851309	XXFBSBPIAKWRBA-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)C1	2247852609	WXFXSRPYWSNJSP-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
Cc1noc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)n1	2247859205	KWNVOPJILLADSP-NKWVEPMBSA-N	239.040	-0.801	50	10	BBGE	
C[C@@H](CC1CNC1)NC(=O)C1(B(O)O)CCC1	2247873767	GHIFBWMLTNERSV-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1CN(C(=O)c2occc2B(O)O)C[C@@H]1F	2247875053	RYQKNVJOWMIZDC-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1n[nH]cc1B(O)O	2247884856	AQESWBRTGNCLDT-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
Cc1ocnc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247898866	IERLIOPMVQJWGU-YUMQZZPRSA-N	238.052	-0.196	50	10	BBGE	
O=C(NCCCF)Nc1cccc(B(O)O)c1	2247969754	DNXGJUZDSXZORQ-UHFFFAOYSA-N	240.043	-0.153	50	10	BBGE	
CC[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248575708	HKUUCBONKMIKRB-NBBQQVJHSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)CCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248578990	WVFCZGPAVGKKGG-OCAPTIKFSA-N	243.068	-0.390	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248584952	DKOCOHXJLNJBHY-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
CCN(CCOC)C(=O)c1cocc1B(O)O	2249418197	QAJUMSPUSOINHC-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
Cc1nnccc1CN(C)[C@@H](C)CC(=O)NN	2251595883	ICSZHJXQMATMGU-QMMMGPOBSA-N	237.307	-0.015	50	10	BBGE	
Nc1ccc(NC(=O)c2ccc(B(O)O)o2)cc1	2255467843	SCQWNCUJRYRMPK-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1C(=O)C[C@H]1C	2255515062	RWQPUWDDEBTNBG-SSDOTTSWSA-N	247.059	-0.564	50	10	BBGE	
Cc1ncc(NC(=O)c2ccc(B(O)O)o2)cn1	2255671857	XRXCWLZBONOSEB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](c2ncc[nH]2)C1	2255682883	NKZGPHSYPRLGIQ-DJLDLDEBSA-N	249.079	-0.412	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ncccc2B(O)O)[C@@H]1C	2255690343	ZISKSHWAASYTEX-NQMVMOMDSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cocc1B(O)O	2258124671	GXNMXXSCVORYIV-VROVMSAKSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2COCC[C@@H]21	2298369631	AEEXXYKWBBKPQI-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C(=O)O	2298463539	JHOKJJKIJVJVLA-YWIQKCBGSA-N	241.052	-0.829	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299770469	UYWTYOAFVIAUJZ-HOSYDEDBSA-N	241.335	-0.152	50	10	BBGE	
CC(C)=C(CN1CCn2cnnc2C1)B(O)O	2301964854	NVNNYQVKMISDCM-UHFFFAOYSA-N	236.084	-0.558	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CC[C@@H](C1)NC2	2303669224	NWLFZMKEMJVGLQ-KWQFWETISA-N	233.080	-0.932	50	10	BBGE	
OCC1(Nc2cc(B(O)O)c(F)cn2)CCC1	2303847967	RCFCLCJRUAVLSG-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CCNCC1	2317162795	LVHOIYWTLWLABM-UHFFFAOYSA-N	245.091	-0.598	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CC[C@@H]2O)cc1B(O)O	2317312172	CHCJWFXOMVMURC-PELKAZGASA-N	249.075	-0.638	50	10	BBGE	
C[C@H]1[C@H](N)CCN1c1ccc(C=O)c(B(O)O)c1	2317335766	LKRSRRIIKSEFML-QPUJVOFHSA-N	248.091	-0.895	50	10	BBGE	
NNC(=O)CNCCN1CCCCCC1	58839352	CBSCJYRZZARTQW-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1CCC(=O)N1	70681389	ZFAUTPZTDMZGKF-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
COC1CCN(CCCC(=O)NN)CC1	82467388	PASKLMCHYXIBJU-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CN(CCCC(=O)NN)Cc1nccn1C	82469276	FAFOTBHRYCSAAP-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
Cn1ncc(/C=C/C(=O)O)c1C(=O)NN	84824357	NBSJXUIYQPGHTA-NSCUHMNNSA-N	210.193	-0.879	50	10	BBGE	
CN1C(=O)N=C(N)[C@H](Br)[C@H]1O	95924380	CZAIPGUEWQIKRG-ZAFYKAAXSA-N	222.042	-0.509	50	10	BBGE	
Cc1cc(C)n(CCn2cc(C(=O)NN)nn2)n1	110579278	LFGBHLFUEKNLRX-UHFFFAOYSA-N	249.278	-0.605	50	10	BBGE	
OB(O)c1cc(F)ccc1Cn1ccnc1	203168593	CZEHVLLVIZIENE-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
COc1cc2c(cc1B(O)O)NCCO2	204492059	METSCDIQJZEXPA-UHFFFAOYSA-N	209.010	-0.821	50	10	BBGE	
CC[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)B(O)O	206977057	XHZZNKZVBHMLMF-RKDXNWHRSA-N	244.100	-0.946	50	10	BBGE	
CCCC(=O)NNC(=O)/C=C\C(=O)O	207361245	SAJYVLHFOAXEAC-PLNGDYQASA-N	200.194	-0.425	50	10	BBGE	
Cc1ccc(B(O)O)c2c1OC(F)(F)O2	215997189	PYFQCSOHLDQETO-UHFFFAOYSA-N	215.948	-0.004	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)C[C@@H](C)N1C	228858248	GYZXPHWYTRNZPX-HRDYMLBCSA-N	214.313	-0.611	50	10	BBGE	
O=C1CC[C@@H](CNS(=O)(=O)CCCl)N1	232299947	GDOJLFOFWPVFMH-LURJTMIESA-N	240.712	-0.577	50	10	BBGE	
O=S(=O)(CCCl)NCCn1ccnn1	232301218	BNTZPENRDILRLX-UHFFFAOYSA-N	238.700	-0.564	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCOCC1	232419249	KBWGPMUHWJVPGQ-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
CN1CCN(Cc2cccc(C(=O)NN)n2)CC1	234315936	PDUHAFJVTPZADG-UHFFFAOYSA-N	249.318	-0.568	50	10	BBGE	
Nc1cc(B(O)O)cnc1Br	238596071	JAIXYRGHGBBHGI-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2c(c1)CCC(=O)N2	258950510	FADLPMIKXYVUNB-VIFPVBQESA-N	248.286	-0.049	50	10	BBGE	
Nc1cccc2c(O)c(B(O)O)sc12	306917904	YNAWBUDKLIXWHE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1cc2ccsc2c(B(O)O)c1N	307115375	TZXCURZOBIGDTC-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCOC(=O)C(F)(F)C(=O)NN(C)C	308603699	VRRFFSLHNBOYHN-UHFFFAOYSA-N	210.180	-0.222	50	10	BBGE	
C[Si](C)(C)c1cc(B(O)O)ccc1C#N	308936677	CVYBSRFKWSAJDE-UHFFFAOYSA-N	219.125	-0.217	50	10	BBGE	
Nc1nc(CCCl)nc(NC[C@@H](O)CO)n1	309442698	OLNMWJCFRKMJNU-RXMQYKEDSA-N	247.686	-1.000	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCN(C)C[C@@H]2C1	310553788	XIZFOLHGKUSFOP-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CNC(=O)C(C)(C)NC(=O)NC(=O)CCCl	312818572	HMOYXJFGQZGWSH-UHFFFAOYSA-N	249.698	-0.034	50	10	BBGE	
O=C(CCCl)N1CCC(O)(CO)CC1	313647985	OKZDAPLJPVUGDK-UHFFFAOYSA-N	221.684	-0.039	50	10	BBGE	
Nc1c(OC(F)(F)F)ccc(B(O)O)c1F	322179438	FELUYSKGTFSBTN-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCC1(O)CN(C[C@H](C)C(=O)NN)C1	384190647	ZGQHWGZSPPZMET-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)C(C)(C)C1	388201567	SFWCNXMOBGRWOR-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CCOC(=O)CCc1ccc(B(O)O)cc1C#N	396100792	MQRWEHURFAIFLU-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
Nc1cc(B(O)O)c2cc(C=O)sc2c1	396273075	KJXILVWPSVRUMY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1cc(B(O)O)ccn1	404935693	CZHLUVJJUONIMT-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NN)C[C@@H](C)O1	606275761	LPFVTUFTDDYIOT-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NC(=O)NNC(=O)c1cnc(Cl)cn1	606284147	MFLYYLJNZPMHJQ-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)C[C@@H](C)O1	689159626	IGHXMDDTESXDHS-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)C(C)(C)CO	690901322	FUSKWVKLKZXOCK-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCC[C@H]2N)CC1	692089738	DKCOEZVKCOOMEA-GHMZBOCLSA-N	239.319	-0.299	50	10	BBGE	
CC1(C(=O)N2CCC(O)(C#N)CC2)CNC1	692176993	FYOPBUBLFJNMBC-UHFFFAOYSA-N	223.276	-0.527	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2CCCO2)n1	694229008	NXNJJZXYRAXGLB-QMMMGPOBSA-N	210.042	-0.868	50	10	BBGE	
COC[C@@H](O)CN(C)[C@@H](CC(C)C)C(=O)NN	695061089	MPDIQVCDPUSPMT-UWVGGRQHSA-N	247.339	-0.670	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C[C@@H](C)O	695080366	WPFPPXWJZZYNEM-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOC[C@H](O)C1	695120617	ZXPGRANAUYMFOT-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
N#CC1(O)CCN(c2ccc3nncn3n2)CC1	696861610	BXOPVPJZRZLEEC-UHFFFAOYSA-N	244.258	-0.021	50	10	BBGE	
C[C@H]1CCCN(CC(=O)NN)[C@@H]1CCO	697197837	CLPWKRFKSCSSCI-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1Cc2ccccc2CO1	700637803	HYHYOHXZXBRQHM-SECBINFHSA-N	235.243	-0.173	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423209	XZEVYAXLVDRQAZ-QXBQRDJISA-N	245.300	-0.330	50	10	BBGE	
NS(=O)(=O)[C@H]1CCCN(C(=O)CCl)C1	707511563	RVTGTRXYBIWUSD-LURJTMIESA-N	240.712	-0.495	50	10	BBGE	
CCc1nc2cc(B(O)O)ccc2n1C	716785129	YXISTULNUUCEQY-UHFFFAOYSA-N	204.038	-0.185	50	10	BBGE	
CC[C@H](C)CC(=O)NNC(=O)[C@@H]1COCCO1	790698698	ZINXEVYTVZQMBE-IUCAKERBSA-N	244.291	-0.015	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1cn(C)nn1	855187306	IJIOKENLRLBRLV-PLNGDYQASA-N	239.235	-0.874	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ncc[nH]1	1136675081	INSKCHTYPQWWGD-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
O=C(NCC#CCO)NNC(=O)c1ccccc1	1235582127	KTNFGNIVCBXIEG-UHFFFAOYSA-N	247.254	-0.374	50	10	BBGE	
O=C(COC1CC1)NNC(=O)Cc1cc[nH]n1	1262152938	LWACPYOSNLNZMD-UHFFFAOYSA-N	238.247	-0.721	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)[C@H]1COCCO1	1524184058	YLGJXLLZLGOEEI-HTQZYQBOSA-N	241.247	-0.901	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@@H]1C[C@H]1Cl	1883567448	PFGIEHVATOFVMV-CRCLSJGQSA-N	201.661	-0.311	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@H]1C[C@@H]1Cl	1883567450	PFGIEHVATOFVMV-UHNVWZDZSA-N	201.661	-0.311	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)N1CCSSCC1	1884554878	IDDGQAWJJUNURW-BQBZGAKWSA-N	236.362	-0.082	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)c1nnn(C)n1	1884831251	NUTUGXLOEGBEBE-YFKPBYRVSA-N	213.628	-0.820	50	10	BBGE	
CC1(C)[C@@H](O)[C@H](O)CN1S(=O)(=O)CCl	1885617315	VWLSXQMMLVNTRX-RITPCOANSA-N	243.712	-0.672	50	10	BBGE	
CCN(CCF)C[C@H]1C[C@H]1C(=O)NN	1886422299	AYNMVLFXPMQVQI-HTQZYQBOSA-N	203.261	-0.096	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NNC(N)=O	1889158140	BSNFLKMICYNAFF-RXMQYKEDSA-N	203.242	-0.111	50	10	BBGE	
O=C(O)[C@H](CO)CNC(=O)[C@H]1C[C@H]1Cl	1893446679	PXTFQDPYAXYPJJ-HCWXCVPCSA-N	221.640	-0.577	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC([N+](=O)[O-])C1	1893504433	HVEOUYCWUVHFTL-OWOJBTEDSA-N	218.596	-0.205	50	10	BBGE	
Cc1ccc(=O)n([C@H](C)CC(=O)NN)n1	1893837776	JREJRBSSJBUEDO-SSDOTTSWSA-N	210.237	-0.507	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H](CO)[C@@H]2C1	1895248102	RICFTUPHROTRBF-IVZWLZJFSA-N	227.308	-0.683	50	10	BBGE	
C[C@H]1CN(C(=O)c2cnsc2B(O)O)[C@@H]1C	1900466502	HDNJQBANIZRVPA-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
CCC(C)=CCn1cc(B(O)O)ccc1=O	1900863219	YKXASCLYYCHEOO-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
O=S1(=O)C[C@@H]2CCC[C@@]2(CB(O)O)C1	1901540712	ZBTODNXFGXEBKG-JGVFFNPUSA-N	218.083	-0.326	50	10	BBGE	
CCCN(CCC)NC(=O)CNC(=O)CN	1902046127	NRIGDRULYSHTLX-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
C[C@@H](CN1CC[C@H](B(O)O)C1)CS(C)(=O)=O	1902528610	IXEKNYFKHYVWKX-IUCAKERBSA-N	249.141	-0.784	50	10	BBGE	
Cn1ncnc1CN1CC[C@](C)(B(O)O)C1	1902540440	GAEWCMDDJGCFSR-VIFPVBQESA-N	224.073	-0.746	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1CC1(C(=O)NN)CC1	1907082195	ZAIPZVATGLXFLL-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1C(=O)CCCCC1=O)C(=O)NN	1912220543	GCBLHBZLLWGHRN-SSDOTTSWSA-N	227.264	-0.458	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)[C@H](C#N)C1	1914870844	SKJITXWBTKYZAK-IVZWLZJFSA-N	239.323	-0.860	50	10	BBGE	
NNC(=O)CCCCN1CCC2(COC2)C1	1915569070	UTCKHWKKDXCHJE-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1C[C@H]1C(=O)NN	1927918814	XRIPYZGVYJFZPM-LURQLKTLSA-N	213.281	-0.933	50	10	BBGE	
C=C(Br)CN(C)C(=O)C(=O)NN	1929643642	WTUASFPAXOAXDC-UHFFFAOYSA-N	236.069	-0.657	50	10	BBGE	
CC1(C)CCN(CCC(=O)NN)S1(=O)=O	1930086033	GZBOQFLNXILYKL-UHFFFAOYSA-N	235.309	-0.820	50	10	BBGE	
C[C@]1(O)CON(CCCCC(=O)NN)C1	1930292539	BAEWYOUPMUTAFT-SECBINFHSA-N	217.269	-0.855	50	10	BBGE	
Cc1nnc(SC[C@@H]2C[C@H]2C(=O)NN)n1C	1936093618	GCWPASMRSKBHMC-NKWVEPMBSA-N	241.320	-0.158	50	10	BBGE	
C[C@H](N(C)C[C@H]1C[C@@H]1C(=O)NN)C(C)(C)O	1936094017	JOISZFNZSCSADV-YIZRAAEISA-N	229.324	-0.296	50	10	BBGE	
CO[C@H]1CN(CCCCC(=O)NN)C[C@H]1F	1937156054	WFJBWWQYPGFEHH-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CN(C)[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941085933	GHZPFQJRWCDDPP-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
CCC(=O)N1CCc2ccc(B(O)O)cc2C1	1944857165	NAARIEQFYBEYQA-UHFFFAOYSA-N	233.076	-0.339	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@](O)(C(C)C)C1	1945552400	HHTZUKHGNYHLMO-NSHDSACASA-N	243.307	-0.754	50	10	BBGE	
COCc1nocc1CN1CC(=O)OC(=O)C1	1947219497	YNVQRWZZSSPCMJ-UHFFFAOYSA-N	240.215	-0.294	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@H](CO)C1	1948808090	XJTIJPIAPNLOKJ-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
O=C([C@@H]1C[C@H]1C(F)F)N1CC[C@@H](B(O)O)C1	1951321987	PGRQXNPCAYFFFJ-FSDSQADBSA-N	233.023	-0.037	50	10	BBGE	
CC(=O)N[C@@H](C=CC#N)CS(C)(=O)=O	1951464700	LSTZSNORIFVGLA-QMMMGPOBSA-N	216.262	-0.385	50	10	BBGE	
Cn1nc([C@@H](N)[C@@H](O)C#N)c2ccccc2c1=O	1953041784	QEJRSNASSLFREU-UWVGGRQHSA-N	244.254	-0.182	50	10	BBGE	
C[C@H](Cl)C(=O)NC1[C@@H]2CS(=O)(=O)C[C@@H]12	1957281403	QXCBSPOLVPASOG-KVQBGUIXSA-N	237.708	-0.227	50	10	BBGE	
NNC(=O)N1[C@H]2CCC[C@H]1CC(=O)NC2	1958504842	PFRNLFJPHXQJBP-BQBZGAKWSA-N	212.253	-0.687	50	10	BBGE	
OB(O)c1ccn(C[C@H]2[C@H]3CCC[C@H]32)n1	1960594099	BNGLSAOHRTXELW-AYMMMOKOSA-N	206.054	-0.391	50	10	BBGE	
CCOc1nc(C(=O)NNCCO)co1	1961725409	VWKRNUAHQUPHNR-UHFFFAOYSA-N	215.209	-0.700	50	10	BBGE	
CN(CCCC(=O)NN)[C@]1(C)CCOC1	1974598652	WLLSXVOWUQUUOA-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN([C@H](C)CC(=O)NN)C1	1976441015	LEHXOVVWCCKKGV-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@@H]2CC[C@@H]12	1976586820	VCONLOFRTANQET-NQMVMOMDSA-N	227.308	-0.421	50	10	BBGE	
O=C(CCl)NC(=O)NCc1nccc(O)n1	1977973087	XALNPPQKIZTXTH-UHFFFAOYSA-N	244.638	-0.253	50	10	BBGE	
OB(O)c1ccn([C@@H]2C[C@H]3[C@@H](C2)C3(F)F)n1	1978367527	VRMZEZXSENFHFA-KVSKUHBBSA-N	228.007	-0.221	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CC2(CC2)CO1	1979379823	OBFJKAZSCJBPER-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCN(CCSC)c1ccc(B(O)O)cn1	1981413496	HMOKTMPRRNMWBF-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@@H]2C1	1981421638	CGGXPXRPUWGJMS-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
Cc1ncnc(S[C@@H]2CCOC2)c1B(O)O	1981451279	ULNDQWNUNJIUCZ-SSDOTTSWSA-N	240.093	-0.654	50	10	BBGE	
OB(O)c1cnc(Sc2cccnn2)nc1	1981454689	NTYRMEJXMCWKDS-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
NC(=S)NNC(=O)c1ccn2nncc2c1	1986988203	HSKZEXGEPSWXDJ-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CC(CF)C1	1990776053	FMHDIZYJBGYQTM-UHFFFAOYSA-N	231.271	-0.166	50	10	BBGE	
CN(C)NC(=O)NC1CC([C@H](F)C(=O)O)C1	1992534226	VYEXSUDBFOUIQN-AHXFUIDQSA-N	233.243	-0.037	50	10	BBGE	
NNC(=O)CCCN1CC(=O)N2CCC[C@H]2C1	1996426727	IZUFLYAPBNWFBE-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
COCCOC[C@@H]1CCCN1[C@H](C)C(=O)NN	1996848116	FILYEOJIHXXDAP-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
Cc1nc([C@@H]2CCN2C[C@H](C)C(=O)NN)no1	1997763735	AOCLACULBLHNCE-XPUUQOCRSA-N	239.279	-0.249	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC12CC(CO)C2	1997986327	HUYJXMGQDCYMMM-SKMKEBHYSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cnccc1N1CC(CC(F)F)C1	2004918484	MJIZEPGLXSQDOP-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@@H]2C)ncc1B(O)O	2004974089	FNZWNKYTSICZMI-CBAPKCEASA-N	235.096	-0.443	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](C)[C@@H](F)C2)n1	2004975485	ZNOAMFLNNMJVNH-XVKPBYJWSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012640952	GMBYIBHJKUZEFZ-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)C2(O)CCC2)CC1	2014515399	QEMNQNDINCSROU-JTQLQIEISA-N	235.287	-0.089	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@](C)(O)C1	2017238977	RQRHOJNDFOYLJT-KWQFWETISA-N	243.307	-0.754	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H]1CCCO1	2019211841	REQZPBCYRSIFSE-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
C=C(CN(C)C[C@]1(OC)CCCOC1)B(O)O	2021164547	JADMEPXSOAHMRO-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
COC[C@H](OC[C@H]1C[C@@]12CCOC2)C(=O)NN	2021278253	YIMCFOCSKQUZQN-WCABBAIRSA-N	244.291	-0.566	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1C#N	2041347953	GOKKWSRRVQTCPH-BDAKNGLRSA-N	246.270	-0.346	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)cc1[N+](=O)[O-]	2060282637	PFBSUGSWVNYNPS-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=S1(=O)CC(n2ncnc2CCl)C1	2209170544	KAIUXNPBRRKXIG-UHFFFAOYSA-N	221.669	-0.014	50	10	BBGE	
O[C@@H](CCl)CN1C[C@H](O)C[C@@H](F)C1	2209179041	NSJXBACJFIBJRH-PRJMDXOYSA-N	211.664	-0.009	50	10	BBGE	
C=C(CN(C)C[C@@H](F)[C@@H]1CCOC1)B(O)O	2212185154	UTOAZUIYEXLNAP-NXEZZACHSA-N	231.076	-0.139	50	10	BBGE	
CCC/C=C/CN=c1ncc(B(O)O)c[nH]1	2212602449	DRNHPNOZYWBQKV-SNAWJCMRSA-N	221.069	-0.654	50	10	BBGE	
C=C1CCCN(c2ncccc2B(O)O)C1	2212602581	GRFCLONAGYUWKF-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C#C[C@H](Oc1ccc(B(O)O)cn1)C(C)C	2212606178	PUMMJIVVTOHKCN-JTQLQIEISA-N	219.049	-0.202	50	10	BBGE	
C=CCN(c1ncccc1B(O)O)C1CC1	2212610897	QTMHQEOCGREGIK-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
OB(O)c1ccc(Nc2cncnc2)nc1	2212612059	HRVRETMNNYUDDH-UHFFFAOYSA-N	216.009	-0.705	50	10	BBGE	
CC1(O)CC(Nc2ncccc2B(O)O)C1	2212613385	VEIBTXNJOCSGEM-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C(C)(C)N	2212615760	UHVQSWSNRLRIFR-ZETCQYMHSA-N	223.085	-0.701	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ccno1	2216233687	AEOAFMNGXSDABL-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2216251289	DRGRXJQXBIXWJX-DBIOUOCHSA-N	241.335	-0.011	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2C[C@]2(F)C1	2216611799	FYVSRFSUXRBPSE-XCBNKYQSSA-N	237.043	-0.905	50	10	BBGE	
CC(C)N1CC(Nc2ncccc2B(O)O)C1	2217172157	HRXWRVLRUHRONB-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCCN1	2217172261	IRLGNJWGUBSVEF-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23COC[C@H]2C3)c1	2217173960	VOBIDBCRCUBBQH-LDYMZIIASA-N	234.064	-0.790	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2217175910	PBQIYJLPNJAGPQ-ZJUUUORDSA-N	235.096	-0.557	50	10	BBGE	
CCC[C@@H](O)CNc1cc(B(O)O)c(C)cn1	2217181009	WXRKTYRQXOBFCB-SECBINFHSA-N	238.096	-0.357	50	10	BBGE	
CC[C@@](C)(CN)Oc1cc(B(O)O)c(C)cn1	2217194945	YYCQINVJPKZDQN-NSHDSACASA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCO[C@@H]32)c1	2217196707	HZHABCWPTMWGOO-NGZCFLSTSA-N	234.064	-0.792	50	10	BBGE	
C[C@H](COC(F)F)Nc1ncc(B(O)O)cn1	2217199325	LMXBVJXQGQPWLN-RXMQYKEDSA-N	247.010	-0.804	50	10	BBGE	
OB(O)c1cccnc1NCCn1cccn1	2217204100	FBYIJXGAXRYKKW-UHFFFAOYSA-N	232.052	-0.930	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1CO	2220071559	IIIIFCPFQJGEPJ-JQWIXIFHSA-N	249.119	-0.573	50	10	BBGE	
CCN1CC[C@@H](OCc2ccc(B(O)O)cc2)C1	2222584494	RWKMZTBWCOZSLM-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C#CC1(Oc2ncccc2B(O)O)CCOCC1	2223618272	PHSDWDATIQYWFI-UHFFFAOYSA-N	247.059	-0.677	50	10	BBGE	
CCC1(C)CC(CN=c2ncc(B(O)O)c[nH]2)C1	2223625888	FYIFDHYDBIFLNZ-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1Nc1ccc(B(O)O)cn1	2223630087	XXHXVLGINJVONF-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N2CCN[C@H]3CC[C@@H]32)cc1B(O)O	2223647137	TYZYJOVDHDEUHO-QWRGUYRKSA-N	247.107	-0.990	50	10	BBGE	
Cc1cnc(O[C@@H]2CCC23CNC3)cc1B(O)O	2223653636	SWICVTPELRUZKX-SNVBAGLBSA-N	248.091	-0.799	50	10	BBGE	
OB(O)c1ccnc(NCc2ncccc2F)c1	2223666651	KAAWSRLHOWZTHA-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
OB(O)c1ccnc(N2CCCCC23COC3)c1	2223679813	UUSNTQVCLNJDEL-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C=CCCCC1	2224024597	BHWPWOFIRZYUSA-SNVBAGLBSA-N	248.091	-0.331	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CS1	2241468607	RAWZOAWRBIZXDK-RNFRBKRXSA-N	213.067	-0.988	50	10	BBGE	
C[C@H](F)CNC(=O)C1(B(O)O)CCC1	2241472558	UEEJGKJKAUSJIT-LURJTMIESA-N	203.022	-0.142	50	10	BBGE	
CC(C)ONC(=O)[C@H]1C[C@H](B(O)O)C1	2241494605	AAMRBQZEAFGZRJ-LJGSYFOKSA-N	201.031	-0.304	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H]1[C@@H](O)CO	2241810612	GGZNZSQBVUXQII-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2242833437	NRURBKUTQOXEJL-KKZNHRDASA-N	227.308	-0.542	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2C[C@H]2C)n1	2243085166	GNSXBZSRLULCFK-SVRRBLITSA-N	223.037	-0.443	50	10	BBGE	
N#CC1CN(C(=O)c2ccc(B(O)O)s2)C1	2243356157	CCEFIYHLZCCYLH-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1occc1B(O)O	2243365459	MTJAANFGROGIMQ-VDTYLAMSSA-N	243.455	-0.684	50	10	BBGE	
CC=CCNC(=O)c1cncc(B(O)O)c1	2243375997	BXJBAINCWGGSLB-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)cs1	2243378788	ZIPNEWUVQQUJRX-QMMMGPOBSA-N	237.089	-0.431	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)cs2)CC1	2243386397	ZNPILKQEFWFZTH-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
O=C(c1c(Cl)cccc1B(O)O)N1CCC1	2243398559	RQYAAIZTLWWOEB-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
O=C(NC1CC=CC1)c1sccc1B(O)O	2243406679	COHUKOCGINVKEN-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
CCN(O)C(=O)c1c(Cl)cccc1B(O)O	2243414932	LABFDBIZIBUUDE-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CC1(C)[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416177	ICSZWHMABKBVLE-RNJXMRFFSA-N	227.069	-0.779	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CN(C)C(=O)C(=O)NN	2243810881	NTXFCUOZBISVOQ-OIBJUYFYSA-N	229.280	-0.893	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@H](F)C1	2244548720	TVASQDWHSGWEAP-BDAKNGLRSA-N	227.044	-0.354	50	10	BBGE	
N[C@H]1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2244732569	HZGBDBMDWVPVEO-KRTGUUSXSA-N	226.085	-0.907	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]2C[C@H]21	2247735484	ZESZZUKPVPFAEW-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]2C[C@H]21)C(=O)C#CB(O)O	2247740603	MWMMOELQYSQTAU-OUAUKWLOSA-N	235.092	-0.104	50	10	BBGE	
C[C@@H]1CN(C(=O)c2occc2B(O)O)C[C@@H]1C	2247751076	SIBQGHGOFQJMEK-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2247751106	SQVVNDVISQZUGH-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
Cc1cccc(C(=O)N(O)C(C)C)c1B(O)O	2247752325	NBHROFNDVWTFCY-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
CCC1(N)CC(NC(=O)C2(B(O)O)CCC2)C1	2247753079	BESICYZFOWHXPY-UHFFFAOYSA-N	240.112	-0.230	50	10	BBGE	
O=C(N[C@@]1(C2CC2)CCOC1)C1(B(O)O)CC1	2247763735	PAXZZBWTLZAKJA-NSHDSACASA-N	239.080	-0.321	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247787690	SKSUOZZGGUFXGN-DOLQZWNJSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806508	FLPQNSFFMSFUBC-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]21	2247810748	ZVZMXMRXXAHQGY-VVULQXIFSA-N	238.096	-0.955	50	10	BBGE	
CC[C@@]1(C)C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247850103	JUHNUFZIHROMBK-ONGXEEELSA-N	239.080	-0.582	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cc(B(O)O)c[nH]1	2247850433	OJXLZFNRLBMANN-LLVKDONJSA-N	234.064	-0.774	50	10	BBGE	
CCC[C@@H]1CNCCN1C(=O)C1(B(O)O)CC1	2247852939	CSGWRAGHAZRZRQ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2[C@@H](O)C[C@H]2C1	2247858404	DRTDPBJPVAUHCY-VHGJHBJISA-N	239.080	-0.921	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)ccn1	2247860032	QVCZDKREUQQHJU-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)c1cccnn1	2247887964	UGYRMGMNFKOWQV-HTQZYQBOSA-N	235.052	-0.308	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)C#N)oc1B(O)O	2247891610	KWILWDBJFLSQEB-ZCFIWIBFSA-N	236.036	-0.843	50	10	BBGE	
CC(C)c1cc(B(O)O)cc(C(=O)N(C)O)c1	2247891651	LNXKPPCETAZCPM-UHFFFAOYSA-N	237.064	-0.049	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C)OC[C@H]1C	2248476748	FPWCNYPZFWFTFR-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)C1(B(O)O)CC1)C1CC1	2248574058	NPWSZGWZLJTERM-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)[C@H]1C[C@@H]1B(O)O	2248586584	CXPOAKGUCVMKFW-VGRMVHKJSA-N	241.052	-0.687	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1C[C@H]1C(=O)O	2248587654	SEUZZOBVIOSIOR-RRKCRQDMSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1cocc1B(O)O	2249423386	JLSQHYPECXLGEY-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
CNCC(C)(C)N(C)c1cc(B(O)O)ccn1	2251046249	GBKKJQXLJQUOSN-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1cc(B(O)O)c[nH]1	2255461242	FAYLHKRZGZKZHW-IUCAKERBSA-N	248.091	-0.530	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=CC12CCC2	2255469417	OUQAXDWLKJKJIR-UHFFFAOYSA-N	246.075	-0.371	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@H]1CCO1	2255511616	MBEMYYRTXLNCJF-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
NCc1cccnc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2255572489	YWVZDLCRNIYOJT-KYZUINATSA-N	249.079	-0.268	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C1CC1	2255720441	OAAFNLPBNBUCKC-ZJUUUORDSA-N	249.075	-0.204	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(B(O)O)c1C	2255735645	XLMVIICXRSWDMU-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC2(CC1)CC2	2255761986	OIRQJCSZWVNZLY-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
CC=C=CCCNC(=O)c1nccnc1B(O)O	2256048785	XZDBEISPNQHZPQ-UHFFFAOYSA-N	247.063	-0.993	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369061	HRZCRULUSFDFLF-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
N[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371534	NOPPGYYADXRSKM-JLIMGVALSA-N	240.112	-0.517	50	10	BBGE	
COC[C@@]1(C(=O)O)C=CCN1C(=O)NN(C)C	2299730225	IWFFUAYPBVFDQI-SNVBAGLBSA-N	243.263	-0.486	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@]2(CO)CC[C@H]1C2	2299777361	ZQSPGLDMUFTGHZ-QCBRBAQYSA-N	239.080	-0.777	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCOCC1=O	2300384313	PZVKLPKJTHAXNV-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
CNC[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301420465	GJMXISPAUVWFIM-QMMMGPOBSA-N	237.064	-0.834	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(CCCCC(=O)NN)C2	2301492406	OPXLSVMHTOTHJB-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1C[C@H]2N(C)C)C(=O)NN	2302403496	MALTVUUIOAPDAN-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
CC(C)n1cnnc1CN1CC[C@@H](B(O)O)C1	2303120793	NNVMCFJMDXAPEI-SECBINFHSA-N	238.100	-0.092	50	10	BBGE	
CC[C@](C)(CN1CC(O)(COC)C1)C(=O)NN	2303425221	ALHCGRZVRZBMOZ-SNVBAGLBSA-N	245.323	-0.914	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303854606	FDRREGZGLFHFMY-RCOVLWMOSA-N	240.043	-0.983	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)c(F)cn2)CCNC1	2303859528	XGNJMBLEJTWIHQ-SNVBAGLBSA-N	240.043	-0.969	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1c1ncccc1B(O)O	2314228678	RGDJMWRQYMYNOK-GHMZBOCLSA-N	248.091	-0.723	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1O[C@H]2CC[C@H]1C2	2317164006	ULWXUJVFWUNHOB-QWRGUYRKSA-N	244.059	-0.089	50	10	BBGE	
C[C@@H](C(=O)Cl)N1CCN(CCO)CC1	32021408	BNDGEDFAYDMNRH-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(CCN)CC1	70188504	ULNAIWYMWTYRBS-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CN(C)CCN(C)CCCC(=O)NN	82544084	MGQSIORYMVKMLV-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
N#Cc1nccn1Cc1ccc(C(=O)NN)cn1	94940812	YEXBNMIOMPIVAH-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC2CCOCC2)O1	104111501	AIRKJDQPVOLDFA-VHSXEESVSA-N	244.291	-0.281	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@H](O)C1	123833998	DPKXGVFBYBEQGV-LBPRGKRZSA-N	249.314	-0.214	50	10	BBGE	
CN(C)NC(=O)N1CCC(OCC(=O)O)CC1	149037278	LDXVZGHUTRFQQT-UHFFFAOYSA-N	245.279	-0.262	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@@H](C(=O)O)O1	149098216	UBBKJWGUYQNTTI-RQJHMYQMSA-N	231.252	-0.606	50	10	BBGE	
NC(=O)CCNC(=O)CCBr	168351234	FNCRDACOLLVOJW-UHFFFAOYSA-N	223.070	-0.237	50	10	BBGE	
CCOC(=O)CN/C=C(/C=O)[N+](=O)[O-]	169613981	VJQBEIAXVZDRTF-UTCJRWHESA-N	202.166	-0.544	50	10	BBGE	
CCN(C)C(=O)CNC(=O)NC(=O)CCCl	221762633	JGFSQVLFMZUGSS-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)CC(F)F	231592944	FNCXNUKEHHMAPV-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@]1(C(N)=O)CCN(C(=O)NC(=O)CCl)C1	235744556	XPBKNKREEQJNNI-VIFPVBQESA-N	247.682	-0.341	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)C(=O)O	238467250	KIVZWFGTMLCIKH-VKHMYHEASA-N	208.601	-0.476	50	10	BBGE	
Cc1cnc(SCC(=O)NN)nc1O	306413984	UVQVGPPTXGMUBZ-UHFFFAOYSA-N	214.250	-0.427	50	10	BBGE	
OB(O)c1cc(O)c(O)c2ccsc12	306650850	RMFZVTKTCSKYSA-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@H]3C2)c1	307212578	PFPDLTILGHFFPG-PHIMTYICSA-N	217.077	-0.182	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1B(O)O	307523481	QDYJZSXYEIJDFY-BQBZGAKWSA-N	231.057	-0.631	50	10	BBGE	
CN(C(=O)CBr)C(CO)CO	307884994	ULEGJHWIKPNWLO-UHFFFAOYSA-N	226.070	-0.807	50	10	BBGE	
N#Cc1ncn(Cc2nc(C(=O)NN)cs2)n1	328424079	STVGOPLSNYNBQX-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
CC(C)(CO)CN=c1[nH]c(CCl)nc(=N)[nH]1	380963215	BPRQCVJCXXMIFC-UHFFFAOYSA-N	245.714	-0.125	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)cc1OCC	382630848	BDYMNGIWECGLMQ-UHFFFAOYSA-N	238.048	-0.058	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N1CC(=O)OC(=O)C1	385017462	XFKABHUJCLSKEI-CSMHCCOUSA-N	213.233	-0.062	50	10	BBGE	
Cc1nnc([C@@H](C)NC(=O)C(=O)NN)s1	392180533	ZMXMKLQYNCPEKY-GSVOUGTGSA-N	229.265	-0.986	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H](C(N)=O)C1	395612454	JZPCIRRDDZKSIW-JGVFFNPUSA-N	242.323	-0.802	50	10	BBGE	
COc1ccc(CC(C)=O)cc1B(O)O	396021208	JTZVIWULFYBAAK-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
COc1cccc(CC(C)=O)c1B(O)O	396025145	SXMSEUAIIOXRHL-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1/C=C\C(=O)O	396131918	GOOAHBMCJUPIAF-XQRVVYSFSA-N	248.043	-0.404	50	10	BBGE	
Nc1sc2cc(C=O)ccc2c1B(O)O	396261606	XOQSSXQNGKUTSF-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@H]2C1	403471938	OZOLLMKNQDBKSB-BWZBUEFSSA-N	211.265	-0.471	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)cc1	405038842	VNPKUWGXVLHPNK-UHFFFAOYSA-N	225.078	-0.332	50	10	BBGE	
C=CCNC(=O)Nc1ccnc(B(O)O)c1	405167665	OQOIPSKTRWFOFN-UHFFFAOYSA-N	221.025	-0.931	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)CNC(N)=O	490617242	YSBTZBDQOIJQIZ-UHFFFAOYSA-N	232.240	-0.789	50	10	BBGE	
NNC(=O)CNc1cccc(-n2cnnn2)c1	586320534	ICLDKUZDJLNRMM-UHFFFAOYSA-N	233.235	-0.936	50	10	BBGE	
C[C@H]1CN(Cc2nc(C(=O)NN)co2)C(=O)O1	688542259	FMRYYKRRVZQQNN-YFKPBYRVSA-N	240.219	-0.381	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CC(N)=O)C1	690742532	XMHFIKDRIDVNRP-WCBMZHEXSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H](CN(C)Cc1ccnn1C)C(=O)NN	701667941	HVENTPIBICFSCL-QMMMGPOBSA-N	225.296	-0.522	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C(COC)COC	702035769	QTIHTWWMEYHSCP-JTQLQIEISA-N	247.339	-0.262	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2CCOC[C@H]2Cl)n1	706704029	CCCSHKXTQUXNNO-RITPCOANSA-N	245.670	-0.664	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COCC[C@H]2Cl)nn1	710870750	RHBNMJBVALERLY-SVRRBLITSA-N	244.682	-0.059	50	10	BBGE	
COC(=O)C1(O)CN(CCCCl)C1	714440607	INDQUCLIOBEBIG-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CCC(=O)NN	724139856	NADKNYODQCAVSC-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)[C@H]1CCCO1	854638125	YRFXZDISGPAECS-JGVFFNPUSA-N	225.248	-0.137	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1ncccn1	854951769	CDGIJPONIYVXQJ-ZETCQYMHSA-N	233.231	-0.213	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1cc(C)no1	857212169	VCFJIIZNPHCZCY-UHFFFAOYSA-N	240.219	-0.211	50	10	BBGE	
CN1C[C@H](C(=O)NN(C)c2ccccn2)NC1=O	862747373	SQULPWDQYIELOT-MRVPVSSYSA-N	249.274	-0.427	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@]1(C#N)CCCOC1	910181177	CSGXAOIXQDIASU-GXSJLCMTSA-N	241.291	-0.349	50	10	BBGE	
O=C(CN1CC[C@@H]1C(F)F)NNC(=O)C1CC1	931424155	AFJZVVLBJDSJPP-SSDOTTSWSA-N	247.245	-0.117	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1ccnnc1	1142451291	OTHAQWSSQNLNIM-NSCUHMNNSA-N	206.205	-0.186	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cccc(O)c1	1157783942	VBXATTJFQUXHIF-UHFFFAOYSA-N	248.198	-0.150	50	10	BBGE	
Cc1nsc(C)c1C(=O)NNC(=O)CO	1183079036	VYGXAYPPPULWRT-UHFFFAOYSA-N	229.261	-0.487	50	10	BBGE	
C#CCCCC(=O)NNC(=O)CC1COC1	1334789458	CLLKZKIDHWJNIH-UHFFFAOYSA-N	224.260	-0.026	50	10	BBGE	
O=C(NNC(=O)c1cc[n+]([O-])cc1)NC1CC1	1442298410	ZLVFXPNAAMYTFJ-UHFFFAOYSA-N	236.231	-0.574	50	10	BBGE	
C/C(C#N)=C/CN1[C@@H](C)C(=O)N(C)S1(=O)=O	1473022304	YDHLMKDDSZNFOS-NZGHECTNSA-N	243.288	-0.136	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1568852991	VJHFLHJEXHZOFU-RQJHMYQMSA-N	243.263	-0.383	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C[C@H](C)O	1615562982	PLGTYSFDUVWMJR-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
Cc1cc(=O)c(C(=O)NN(C)C(N)=O)c[nH]1	1636583344	KOGYJMQJUKCNLF-UHFFFAOYSA-N	224.220	-0.661	50	10	BBGE	
O=C(NOC1CNC1)[C@H]1C[C@H]1Br	1877404914	QKISLNGVBMOPNJ-NTSWFWBYSA-N	235.081	-0.211	50	10	BBGE	
O[C@@H]1CN(C[C@@H]2C[C@@H]2Br)C[C@H]1O	1877485740	PEEDTWZMIQMLNC-RULNZFCNSA-N	236.109	-0.193	50	10	BBGE	
COC(=O)[C@@H](Cl)CNS(=O)(=O)CCF	1884896891	ROLJDFKVZDAMEA-YFKPBYRVSA-N	247.675	-0.344	50	10	BBGE	
C[C@H]1CNC[C@H](CC(=O)NN(C)C)O1	1885224899	ZKTUHUNJDXIRQZ-YUMQZZPRSA-N	201.270	-0.654	50	10	BBGE	
O=C(NNCCO)[C@@]12CCOC[C@H]1C2	1891563393	PBAQHAOACYHVGY-VXNVDRBHSA-N	200.238	-0.974	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1895084702	UIIHCJDLJZLSNS-IVZWLZJFSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCO[C@@H]2C1)C(=O)NN	1896177633	AKIIDRHXIZZXFE-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](N)CC(=O)NN(C)S(=O)(=O)C1CC1	1901359308	XMGAZAGITAQNEO-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
CN(NC(=O)c1ccnc(O)c1)S(C)(=O)=O	1901360426	UDNHYSBVNOXCCZ-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
CCCONC(=O)c1csc(C)c1B(O)O	1902868747	RNHCTHARYKNXMC-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
COC[C@H](C)CNC(=O)N1CC[C@H](B(O)O)C1	1905582736	CLCSLEZISKYWHU-BDAKNGLRSA-N	244.100	-0.473	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@@H](C(=O)NN)C(C)C)C2	1906346157	MFKKDGJBIOZRJD-HOSYDEDBSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@H]2[C@@H]1CO	1910400784	NSHMAXURUPTJEP-FXQIFTODSA-N	249.261	-0.686	50	10	BBGE	
CC1CC(C(=O)Nc2ncccc2B(O)O)C1	1913612885	JJRLBUWBQHSJED-UHFFFAOYSA-N	234.064	-0.254	50	10	BBGE	
COc1ccc(C(=O)NNCCO)nc1	1913974921	FKHGQQHPPRETHT-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
CN([C@H](C(=O)NN)C(C)(C)C)C(C)(C)C(N)=O	1915521926	CZKMKTRQFRMFFN-SSDOTTSWSA-N	244.339	-0.413	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915522572	DOFAZVZPIUPQOB-ZETCQYMHSA-N	230.312	-0.659	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2[C@H]3NCCO[C@@H]32)CC1	1917111909	HSGKGNWCBYWWHV-GMTAPVOTSA-N	233.271	-0.345	50	10	BBGE	
C[C@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	1927916780	RHSPKLAWDTXKEZ-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@H](C)C1	1928367813	MEAPJKKLAQZIHT-RYPBNFRJSA-N	215.297	-0.687	50	10	BBGE	
NNC(=O)N1CC[C@H](CO)C(F)(F)C1	1928604212	ADATVXDKKNRIPO-RXMQYKEDSA-N	209.196	-0.481	50	10	BBGE	
CO[C@H](C)Oc1cnc(C)c(B(O)O)c1	1929644333	HMRKDQCWWAGIKO-ZETCQYMHSA-N	211.026	-0.559	50	10	BBGE	
CC(C)(CN1CC[C@H]1CO)C(=O)NN	1929742429	XBZNCSXMJWZFHE-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CC2)CO1	1930147637	IXIOLQHMLAGMHT-SFYZADRCSA-N	211.265	-0.360	50	10	BBGE	
NNC(=O)C1(CN2CCSC2=O)CC1	1931267790	YYHGONAEOQFNFM-UHFFFAOYSA-N	215.278	-0.075	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nnc2nc[nH]n12	1935693631	LWBGXUBNFVQAOV-SCSAIBSYSA-N	241.280	-0.687	50	10	BBGE	
CN(Cc1cncn1C)CC1(C(=O)NN)CC1	1945882721	MGSIONVWNNSDDA-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
C[C@]1(CO)CCCCN1CC1(C(=O)NN)CC1	1945889089	LRNGEIDKAAHSGU-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(CC(=O)NN)C1	1955411791	SQKKCTGRQKTVQH-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
O=S(=O)(C1COC1)N1CC(F)(CCl)C1	1956995373	PAPHARKTTIPODD-UHFFFAOYSA-N	243.687	-0.022	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@@H](N)C[C@@H]2O)CC1	1960368933	YWIIHIOUOYKQPX-MXWKQRLJSA-N	207.277	-0.007	50	10	BBGE	
CC[C@@H]1CCN1c1ncccc1B(O)O	1961697402	WZLLVOUNBVLMSL-MRVPVSSYSA-N	206.054	-0.250	50	10	BBGE	
CC(C)NC(=O)Nc1ccc(B(O)O)cn1	1976031528	JFRVENAQXVSYLH-UHFFFAOYSA-N	223.041	-0.709	50	10	BBGE	
CCN(CCCCO)C[C@H]1C[C@@H]1C(=O)NN	1976239167	GCJFTWFHOLRMBV-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CC[C@@H](C)CC(=O)N[C@H](CB(O)O)C(=O)O	1976978651	BMBFOZITSAILCM-RNFRBKRXSA-N	231.057	-0.535	50	10	BBGE	
CCN(CC)CCN(C)C[C@@H](C)C(=O)NN	1980752488	BCHITDQSOKFJLF-SNVBAGLBSA-N	230.356	-0.114	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)c1cnn(C)c1	1980917843	URTAHZDRWYAXMN-HTQZYQBOSA-N	225.296	-0.129	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1ncncc1B(O)O	1981408416	AHCZLCLLEBJUNI-CBAPKCEASA-N	221.069	-0.609	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Oc1nc(B(O)O)cs1	1981425318	FGRIQBQLRDFWBI-RQJHMYQMSA-N	243.093	-0.373	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)C2O	1981542894	GOSRQJMTKPAGHG-PLJUCTGSSA-N	227.308	-0.687	50	10	BBGE	
Cn1ncc2cc(C(=O)NNC(N)=O)sc21	1982498697	KBNTUSSTORUJIP-UHFFFAOYSA-N	239.260	-0.052	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]2C(F)(F)F)n1	1986781920	DHFYEZUQYALLEG-WDSKDSINSA-N	233.986	-0.239	50	10	BBGE	
C[C@@H]1CCC[C@H]1S(=O)(=O)NCC=CB(O)O	1991331227	YWRTUWCBVUTXQZ-RKDXNWHRSA-N	247.125	-0.337	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]1c1ncon1	1997763963	CMRYAEZSTIGAOB-YFKPBYRVSA-N	247.205	-0.558	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CO)CCCC[C@H]12	2000944909	RTFRCALXTNKMJI-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CC(C)(C)C(=O)NN)C2	2001049178	LHLCMDVDTVSTIV-BXKDBHETSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCn1cccn1	2003823955	CKHKKLZYLFWKOB-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@@H]1CCOC1	2004935907	RPERIHYCHUOPAM-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@@H]2C)ncc1B(O)O	2004974090	FNZWNKYTSICZMI-IONNQARKSA-N	235.096	-0.443	50	10	BBGE	
COc1cnn(-c2cc(C)c(B(O)O)cn2)c1	2005005902	XGCHVAXUCWPSHQ-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CO[C@H](Cn1cccc(B(O)O)c1=O)C(C)C	2008844648	QOSZCAOGFSNQFW-SNVBAGLBSA-N	239.080	-0.801	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ccncc2=O)C1	2010832909	MKCOOEHTDUKDSH-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
CC[C@@H](OC[C@@H]1OCCOC1(C)C)C(=O)NN	2013876457	BHYZQTNAULVPAM-BDAKNGLRSA-N	246.307	-0.035	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]32)CC(=O)O1	2015012126	QOTQJKVASABCTP-ZTVJRRTOSA-N	237.255	-0.062	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(COC)CC1	2018956266	UAMITIHJXQPOCU-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C)C[C@@H](C)C1	2019209740	LNNKYYQDFHKWPN-SECBINFHSA-N	242.323	-0.963	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N[C@H]2CCC=C2B(O)O)CO1	2020066873	ANBYWDXMCDPHGG-MRTMQBJTSA-N	239.080	-0.372	50	10	BBGE	
C=C(CN(C)C[C@H]1OCCOC1(C)C)B(O)O	2021159059	MWJODQOJDZIATO-SNVBAGLBSA-N	243.112	-0.320	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	2021741944	ZBUHCOCDJFLKKS-JLIMGVALSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41	2026823785	BKQQBCIYYQPEMP-ZHPIEBFOSA-N	238.287	-0.480	50	10	BBGE	
CCNC(=O)N1CCc2ccc(B(O)O)cc2C1	2032567088	BZZZGLUDKKGASD-UHFFFAOYSA-N	248.091	-0.546	50	10	BBGE	
CCc1ccc(C#N)c(OC)c1B(O)O	2060261179	NFSJROYJXQVZSE-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@@H]2CCC[C@@H]21	2068482702	LAWVHMRYWKDPQJ-ATZCPNFKSA-N	247.107	-0.219	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]1c1ccccc1	2077492824	RMRGHXUWEOKEAN-NWDGAFQWSA-N	243.071	-0.078	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2079008621	LJMSAKLHYXQCJY-WDEREUQCSA-N	249.075	-0.726	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2CC(C2)C1	2079008970	OBESSROTDQQJLV-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)N1CC[C@@H](B(O)O)C1	2208732601	WWHQCRVWRBLHIP-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@H]1OCc1nscc1B(O)O	2209702145	GEYJONGCCKGDJC-SVGQVSJJSA-N	213.067	-0.252	50	10	BBGE	
COc1ncc(Cl)cc1C(=O)NNCCO	2210230146	KIVQZURCRHWZDY-UHFFFAOYSA-N	245.666	-0.030	50	10	BBGE	
CC[S@@](=O)Nc1ccc(OC)cc1B(O)O	2211850856	RYDFIWNDHXYHFU-MRXNPFEDSA-N	243.093	-0.530	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2212603483	GUCLZMCWUIPBKJ-WAAGHKOSSA-N	216.049	-0.415	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)C1CC1	2212613316	UKFAXFPYGCGDRI-SECBINFHSA-N	221.069	-0.243	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2213351100	BNPUASWUJKHLHO-SVDPJWKOSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CC1(C(=O)NN)CCC1	2216532548	PHAOUUCEAVAMJC-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1C[C@H]1NCCOc1ncccc1B(O)O	2217172421	KFLVJNZZSZRXAP-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
COC(C)(C)CNc1cc(B(O)O)c(C)cn1	2217180527	UERFEWLQISYHPH-UHFFFAOYSA-N	238.096	-0.093	50	10	BBGE	
C=C[C@@]1(Oc2ncccc2B(O)O)CCNC1	2217182918	DODTYVCIGIJDCT-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2COCC2(F)F)c1	2217194120	QQCHYTGOPNVJKI-SSDOTTSWSA-N	244.990	-0.826	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]2C(F)(F)F)nc1	2217201153	OJAXKACWBWNAQU-NTSWFWBYSA-N	246.985	-0.481	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)N1CCC1	2217203668	YPPFZJOTWZCYTL-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)c1ncccc1B(O)O	2223635885	COIFAAVGYJAKQD-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
COCCN(CCC#N)c1cc(B(O)O)ccn1	2223636625	LSZAGRGCMUQAPW-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
CC[C@H]1CCNC[C@H]1Nc1ccc(B(O)O)cn1	2223649699	BYHLZCPRRMLAKN-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1c1ccc(B(O)O)cn1	2223652014	FRCBPLWZEKOVCB-SNVBAGLBSA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCNCC12CC2	2223665132	CORDAVOLBKTFLP-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
O=C(NO)c1cccc(B(O)O)c1Cl	2241584033	IGJFMMIAPJEKID-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
O=C1CN([C@H]2C[C@H](Cl)C2)CC(=O)N1	2241653844	NTOOJFVSUMKUJB-IZLXSQMJSA-N	202.641	-0.285	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243346977	GGFVSXPLRADVFD-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
CCCN(OC)C(=O)c1cscc1B(O)O	2243347495	MPLHGIRKQPPIQP-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCC2(CC2)C1	2243349179	HGJZYGALKQFYCR-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
Cc1cocc1CN(C)C(=O)C#CB(O)O	2243361440	BEGBJISRWDLDHK-UHFFFAOYSA-N	221.021	-0.438	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccoc1B(O)O	2243362634	UKPSCJYKYYTKCY-WDSKDSINSA-N	221.021	-0.902	50	10	BBGE	
CC1(NC(=O)c2ncccc2B(O)O)CC1	2243375862	ZUCRACPKKBONSB-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
C#CCC1CN(C(=O)C2CC(B(O)O)C2)C1	2243391462	KYFBRAQSHGTGRU-UHFFFAOYSA-N	221.065	-0.279	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@@H]1C[C@@H]1B(O)O	2243392496	UTZNOVSJOWIWSN-LSRNJRSKSA-N	221.065	-0.380	50	10	BBGE	
O=C(NOC1CCOCC1)[C@@H]1C[C@@H]1B(O)O	2243396624	OOVFNZSOCAQSJC-SFYZADRCSA-N	229.041	-0.924	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CN1	2243397215	XGIUNDLLZOCZSX-MDVIFZSFSA-N	226.085	-0.894	50	10	BBGE	
CC1(C)CNCCN1C(=O)C1(B(O)O)CC1	2243397419	AXVZFMMKTAZYCK-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CCCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2243399067	JSCBOKFDAKTABP-UHFFFAOYSA-N	224.069	-0.433	50	10	BBGE	
CC[C@@H](COC)NC(=O)C1(B(O)O)CCC1	2243399087	WKIWADGXMIEHDV-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2(B(O)O)CC2)[C@H]1C	2243408422	MYBLSJKGCMLZSH-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
CN(CC(C)(C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414785	IGHFBPGZAAHFOL-OCAPTIKFSA-N	229.085	-0.531	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)co1	2244205781	NIXYKWPUCLBRMG-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
COc1ccc(C(=O)NCB(O)O)c(N)c1	2244512983	SICQERUXUANSSH-UHFFFAOYSA-N	224.025	-0.981	50	10	BBGE	
CCc1nsc(CN(C)C(=O)C(=O)NN)n1	2245060819	MALBZARDINMGIU-UHFFFAOYSA-N	243.292	-0.951	50	10	BBGE	
CC12COC(COCCOCC(=O)NN)(C1)C2	2247419046	WLLFMWHSGXUAKK-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
CCCCN(C)C(=O)c1ccncc1B(O)O	2247723305	SGMUTYOAHSAHLJ-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)C1(B(O)O)CCC1	2247732995	KKZSHHFODRWUIP-PSVAKVPMSA-N	239.080	-0.608	50	10	BBGE	
C#CCN(C(=O)c1cscc1B(O)O)C1CC1	2247734203	GBYZNMUOPKFSLG-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1ccoc1B(O)O	2247737896	LMXOZNJBVZJVGQ-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2ccc(B(O)O)o2)CC1	2247738735	VBNAWCZQVBFKJF-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC2(CCC2)CO1	2247748055	XCKCPSSSDDGPPQ-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C(=O)[C@@H]1C[C@H]1B(O)O	2247798832	XODRLKFXLUBCGR-HXFLIBJXSA-N	245.059	-0.565	50	10	BBGE	
CCn1ccc(=NC(=O)C2CC(B(O)O)C2)[nH]1	2247801184	YBIXSWXPAAYSTA-UHFFFAOYSA-N	237.068	-0.484	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2247807712	IWVWNKQFQFYLSI-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
C[C@H](CN1CCCC1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247809014	XCZZQDCXPZJGPS-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CCCOC[C@H]1CCCN1C(=O)C#CB(O)O	2247849972	HVURORSCBZRDPW-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
CN(CCF)C(=O)c1cc(F)ccc1B(O)O	2247855557	UNLYYVOHLNBYME-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
N[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C12CCC2	2247872733	XVORESOUNPRTJB-JGVFFNPUSA-N	238.096	-0.621	50	10	BBGE	
CC=CCNC(=O)c1ccc(C)cc1B(O)O	2247874401	LRGRPIGRUGDFAL-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CCCN(C)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247886308	ALXLAKRKEKLWIN-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894552	IADHMHKUACCBLK-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CC=CC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248576995	HXFGWKPTLFHWJT-CSMHCCOUSA-N	241.052	-0.615	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1COC2(COC2)C1	2249634905	GRPAFFKGPYPMFI-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)cc1OC	2255499707	DFKOOEHVORIUDD-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
O=C(NC1(CC2CC2)CC1)c1cc(B(O)O)n[nH]1	2255553176	VIXZRUCFVFRUMB-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255679369	HBAGBGLRDBMCEP-PRHODGIISA-N	248.091	-0.433	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2258126930	HLBALSONWCXULB-NEPJDUFXSA-N	247.059	-0.560	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H](O)[C@H]1C2	2298166159	XFUHTSOFNXDPDJ-DAWVFNFOSA-N	239.319	-0.542	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@@H]2CCO[C@@H]21	2298224433	FRNZQJAFQBDUJW-NRPADANISA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1OCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298369728	CMGZEIGZONTBEO-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2CO1)[C@@H]1C[C@H]1B(O)O	2298370069	NLTYMXWYXJUOFE-VAPHQMJDSA-N	239.080	-0.610	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371617	QCRFWLDWSBEXCI-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463421	BZHIAKNOUHCCLI-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1C[C@H]2N(C)C)C(=O)NN	2302403489	MALTVUUIOAPDAN-CHWFTXMASA-N	240.351	-0.363	50	10	BBGE	
CCC#CC(=O)Nc1cccc(B(O)O)c1F	2302832127	AFSXVGXJBBKYIH-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CC(C)NC(=O)[C@H](C)N1CC[C@@](C)(B(O)O)C1	2303098487	YFTFCRBRPLJNSV-GXSJLCMTSA-N	242.128	-0.162	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)Cc2cc[nH]n2)C1	2303108439	HXCQZXFJBSHNIK-JTQLQIEISA-N	237.068	-0.582	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ncccc1B(O)O	2304123726	XWDQXAMQDVRRBY-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
O=C(NC[C@@H]1O[C@H]2CC[C@H]1C2)[C@@H]1C[C@@H]1B(O)O	2307489387	UBFBAXGPUACAHK-CIQUZCHMSA-N	239.080	-0.467	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3c[nH]nc3B(O)O)[C@@H]1C2	2312853337	VURXDDPWDYRWTG-LAEOZQHASA-N	249.079	-0.992	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@]12CNC[C@@H]1C2	2317160933	ADQSQKHJYRSKTA-CABZTGNLSA-N	243.075	-0.988	50	10	BBGE	
O=Cc1ccc(N2C[C@@H]3COC[C@@H]32)cc1B(O)O	2317350208	OXGMSOBPZLYIOO-SKDRFNHKSA-N	247.059	-0.986	50	10	BBGE	
N#CC(=CNCc1ccco1)C(=O)NCC(=O)O	2324946432	OJAYODISJWQCEL-UHFFFAOYSA-N	249.226	-0.023	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCN(C)CC1	82466527	OHCTZAXRAQJJTF-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)CCCCn1cc(C(N)=O)cn1	82471515	LAXBEZIQFWSUMB-UHFFFAOYSA-N	225.252	-0.858	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC(=O)NC1CC1	93072118	YOIMQTKHUYGQCM-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
N#CCN(CC#N)Cc1ccc(C(=O)NN)o1	110570214	UMGHRUUWKISISH-UHFFFAOYSA-N	233.231	-0.268	50	10	BBGE	
CCN[C@H]1COC[C@@H]1C(=O)NN(C)C	147313586	FMMMBMHIYSZQBC-YUMQZZPRSA-N	201.270	-0.796	50	10	BBGE	
C[Si](O)(O)CCCC[C@H](N)C(=O)O	200963788	JSCJLNSNHKLRJV-LURJTMIESA-N	207.302	-0.375	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)CCCO1	216478301	QOCVMBFVXWOBBT-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCOC(=O)c1cnc(Cl)cc1B(O)O	238272517	LRIRELMEXFBXAJ-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
CCN(CC)[C@H]1CCN([C@H](C)C(=O)NN)C1	249925816	CAEBYIQDDGJFME-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](O)CN(C)[C@H](C)CCC(=O)NN	251216390	NMRWBVMKVXXKQQ-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253184512	JUMSWVITOFSVJV-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)CCC(=NNC(N)=O)C(=O)O	254287705	BDXHEDIFQFIXER-UHFFFAOYSA-N	217.181	-0.952	50	10	BBGE	
CCN(CC)C(=O)CS[C@@H](C)C(=O)NN	300771831	ACMWRUPLNVJUOX-ZETCQYMHSA-N	233.337	-0.034	50	10	BBGE	
CCC[C@@H](SCC(=O)N(C)C)C(=O)NN	300835519	LDJHPLMXGZHCNB-SSDOTTSWSA-N	233.337	-0.034	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COC[C@H]2Cl)n1	306221102	VOTQKIJHACUMIJ-VDTYLAMSSA-N	230.655	-0.449	50	10	BBGE	
Nc1cc2c(O)csc2cc1B(O)O	307042325	BAYAMMRBKDHLMC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H]1O[C@H](O)[C@H](Br)[C@@H](O)[C@H]1O	307478369	WCCJMIBXGLUWRG-ZSNZIGRDSA-N	227.054	-0.791	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)[C@@H](CO)C1	307642602	MDXBYWAYVLGQLA-RQJHMYQMSA-N	207.657	-0.573	50	10	BBGE	
NNC(=O)c1ccn([C@H]2CCCNC2)n1	390764105	OWKIZHCIVBXETQ-ZETCQYMHSA-N	209.253	-0.589	50	10	BBGE	
N=c1[nH]c2c(s1)C(=NNC(=O)CO)CCC2	393911676	OITBOCWTEMBYCB-UHFFFAOYSA-N	240.288	-0.295	50	10	BBGE	
CC(C)N(CCC(C)(C)C(=O)NN)CC(N)=O	395612093	JTQXNUNNZKUHKZ-UHFFFAOYSA-N	244.339	-0.412	50	10	BBGE	
CCC(=O)c1cc(CC(=O)O)cc(B(O)O)c1	396132696	LNQAWOVWIRRLCG-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
Nc1csc2c(B(O)O)cc(C=O)cc12	396260528	VMRQVSKMFMKGDR-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]2C1	403471941	OZOLLMKNQDBKSB-CSMHCCOUSA-N	211.265	-0.471	50	10	BBGE	
C=CCNC(=O)Nc1cccc(B(O)O)n1	405172976	WWKKHDTYJBMVKV-UHFFFAOYSA-N	221.025	-0.931	50	10	BBGE	
Cn1nccc1CNCc1cccc(B(O)O)c1	585018093	QALCZCYVVREGII-UHFFFAOYSA-N	245.091	-0.610	50	10	BBGE	
CN1CCC[C@H](C(=O)NNC(N)=S)C1	606285001	YDJKIZYXBSHCCJ-LURJTMIESA-N	216.310	-0.807	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CCCCC(=O)NN	687259523	PARNLNUDXWRDAP-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](NC(N)=O)C1	690797060	VYNMXISJGHBNGA-NKWVEPMBSA-N	216.672	-0.140	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@@H](C)O)C(C)C	692172553	HFZQCIDKALNOBP-BDAKNGLRSA-N	217.313	-0.154	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(COC3)C2)nc1	697131939	DXQOKHLMGZLHLG-UHFFFAOYSA-N	248.286	-0.483	50	10	BBGE	
CO[C@@H](CN(C)C[C@@H](C)C(=O)NN)C1CC1	701421865	OYNYHGBCKWQWCJ-SCZZXKLOSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1COC[C@H](C)N1Cc1ccccc1B(O)O	708377446	VGUVVZGVFWHXQY-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
CCC[C@@H]1CN([C@@H](COC)C(=O)NN)CCO1	708948836	ZWBZLVKUQCLXII-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/N(C)N=C(C)N1N	714539191	CYKYUMBXTWJAMM-FPLPWBNLSA-N	223.236	-0.261	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@@H](O2)C1=O)C(=O)NN	719513210	CWTAFHRMICQZGG-HTQZYQBOSA-N	241.291	-0.608	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1COCC[C@@H]1O	725601058	USZIOSOHGCSMGF-VQVTYTSYSA-N	207.657	-0.120	50	10	BBGE	
C#CC(=O)NNC(=O)c1ncccc1C	754092344	QUKMNVLRXRUDBA-UHFFFAOYSA-N	203.201	-0.216	50	10	BBGE	
CNC(=O)NNC(=O)CC(C)(C)COC(C)=O	777850960	LRBKPPPTZDJDRB-UHFFFAOYSA-N	245.279	-0.074	50	10	BBGE	
Cc1nnc(CC(=O)NN(C)[C@H](C)CO)o1	1143340316	CAMJBRWRLWVSRF-ZCFIWIBFSA-N	228.252	-0.736	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cccnn1	1329494621	MWIAOCUXDWVBPC-UHFFFAOYSA-N	225.277	-0.443	50	10	BBGE	
CN(C)C(=O)NNC(=O)C[C@@H]1COC(=O)C1	1442471398	KMHKPMINNUOBNS-LURJTMIESA-N	229.236	-0.758	50	10	BBGE	
NC(=O)CCC(=O)NN=c1cc[nH]cc1	1447553055	OXHSZXINDXFABC-UHFFFAOYSA-N	208.221	-0.788	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C/c1ccncn1	1464543397	GECAECGWUDMBJW-ONEGZZNKSA-N	235.247	-0.208	50	10	BBGE	
Cc1cnc(Cl)c(C(=O)NNC(=O)CO)c1	1611094926	SGGPHPUKDJYSDV-UHFFFAOYSA-N	243.650	-0.203	50	10	BBGE	
NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2Br)C1	1877409941	KTAZKCCLYRVGSX-RITPCOANSA-N	249.108	-0.698	50	10	BBGE	
O=C(OCCl)N1CC[C@@H](O)[C@H](O)C1	1882908637	ZOGYYOJIADUWKI-PHDIDXHHSA-N	209.629	-0.253	50	10	BBGE	
C[C@@H](SC[C@@H]1CCNC1)C(=O)NN	1883297456	GWQWYTOAKARTDC-RNFRBKRXSA-N	203.311	-0.293	50	10	BBGE	
C[C@H](CCCl)C(=O)NCC(CO)CO	1885930718	QIPTUJPUDDXLSK-SSDOTTSWSA-N	223.700	-0.032	50	10	BBGE	
O=C(CCn1ccnn1)NOCCCl	1888299815	CQNSHOCTERURJH-UHFFFAOYSA-N	218.644	-0.045	50	10	BBGE	
C[S@@](=O)CCN1CC[C@@](C)(B(O)O)C1	1891586885	YGYDCMOBEDOGTA-XLKFXECMSA-N	219.115	-0.696	50	10	BBGE	
O=C(N1CCSC1)C1(B(O)O)CC1	1892019996	MLKGGICMAWWXNC-UHFFFAOYSA-N	201.056	-0.474	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)CC(=O)N1	1893474562	KJGBAQKLJMABBK-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2CCC[C@H]21	1893851917	JHYDLUMCKATDAX-BWZBUEFSSA-N	211.265	-0.234	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cnsc1B(O)O	1900451964	PCFLAOXBZWBBCZ-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
CN(NC(=O)[C@@H]1CC=C[C@H](N)C1)S(C)(=O)=O	1901376263	YEFDVNHQWZMYQV-SFYZADRCSA-N	247.320	-0.798	50	10	BBGE	
C[C@@H]1CNCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901377501	PCTFQOIBANGJJC-HTQZYQBOSA-N	249.336	-0.845	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(C)(CO)C1	1901751273	GFPPZVCNLCWHAB-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
O=C1C[C@H](CN2CC[C@H](B(O)O)C2)CCN1	1902545315	GNLNYYDSXJBFQK-BDAKNGLRSA-N	226.085	-0.939	50	10	BBGE	
Cc1scc(C(=O)NCCC#N)c1B(O)O	1902859674	GKTAFWGUTJIAEG-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
C=CC(=O)Nc1cc(F)c(F)cc1B(O)O	1904700776	UVFKMXMDADLYCE-UHFFFAOYSA-N	226.975	-0.231	50	10	BBGE	
C[C@@H]1CC(N(C)C(=O)NN)C[C@@H](C)S1(=O)=O	1905136991	HJQGTLISHKYPDH-RNFRBKRXSA-N	249.336	-0.144	50	10	BBGE	
CN(C)NC(=O)N[C@]1(C(=O)O)C[C@H](O)C1(C)C	1909745992	ZPBPSEJBCFUYGA-WKEGUHRASA-N	245.279	-0.624	50	10	BBGE	
NNC(=O)COCCN=S1(=O)CCCCC1	1913856788	OXQUUBOBWSPOAA-UHFFFAOYSA-N	249.336	-0.355	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCOC1CC1	1914552158	PAWNKQVLGFLDSG-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2COC[C@H]2N)CC1	1917111381	BGHYXWYFNXXWJP-NXEZZACHSA-N	221.260	-0.358	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1C1CC1	1927995529	UVKKOCGAVDSKPU-DTWKUNHWSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CSC2)C1	1928605344	KENYDCMXIQUOGK-UHFFFAOYSA-N	237.275	-0.340	50	10	BBGE	
CON(C)Cc1ccc(C(=O)NN)cn1	1928676065	BDCWRJLSSQWSCC-UHFFFAOYSA-N	210.237	-0.322	50	10	BBGE	
NNC(=O)C1(CN2CCCOCC2)CC1	1931260276	JFJFOVLIBTZHRQ-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CC1(C)CC[C@H](O)CN1CC(=O)NN	1934786444	CNVOTKJBBNXQGB-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CN1CC(=O)OC(=O)C1)c1ncon1	1935685384	KJFWIHKEMIYDAJ-LURJTMIESA-N	225.204	-0.442	50	10	BBGE	
Cc1nccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936082422	FHWIUYJUEBAVSI-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CC1(OCCNC(=O)C(=O)NN)CCCC1	1936822948	JAGKTBJTCHKUBO-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1C(N)=O	1942614807	ARPMUAGISWVVKB-YIZRAAEISA-N	242.323	-0.659	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@H]1CCCO	1944158584	DIECXQBSYVHAPY-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
O=C(N1CCCC1)N1CC[C@H](B(O)O)C1	1951321057	XJTKOYBSTFIQBD-QMMMGPOBSA-N	212.058	-0.249	50	10	BBGE	
O=C1NC[C@H]2CC[C@H]1N2S(=O)(=O)CCl	1956943835	YEJJCKAMBXTQQO-PHDIDXHHSA-N	238.696	-0.525	50	10	BBGE	
OCC[C@@H]1CN(C[C@@H](O)CCl)CCO1	1956982306	KAHNMWBIECTLLE-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
CN(C[C@@H]1C[C@H]2OCC[C@@H]2O1)C(=O)NN	1959595536	KGRJBDKVXHFPNQ-BIIVOSGPSA-N	215.253	-0.552	50	10	BBGE	
C[C@@H](SCCOCCN)[C@H](C)C(=O)NN	1961087328	OBEJDMMCKUIKOB-JGVFFNPUSA-N	235.353	-0.291	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	1961483603	VFWIGCUXDOYAFY-JGVFFNPUSA-N	215.253	-0.551	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[S@]1=O	1961554609	VZONDKMOQHHTOI-VGZKNDNBSA-N	233.337	-0.935	50	10	BBGE	
OB(O)c1csc(OC2CCOCC2)n1	1961694541	PPPGPLMPNBBZID-UHFFFAOYSA-N	229.066	-0.619	50	10	BBGE	
COC1(CNC(=O)c2ccc(B(O)O)cc2)CC1	1972554936	BRPHAFKKRKKYAQ-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
CC[S@](=O)N[C@H](C)c1cc(B(O)O)cs1	1974922972	NLECBEYPCLRUJO-BAHMLBHCSA-N	247.150	-0.238	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@H](O)C[C@H]21)C(=O)NN	1975088594	SGQDAMCJVJPONY-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nc(C)no1	1976741711	NYBWGUGVVZQDJG-ZETCQYMHSA-N	227.268	-0.422	50	10	BBGE	
CC(F)(F)CC(=O)N[C@H](CB(O)O)C(=O)O	1976992443	RROOMAGCQOCNFD-SCSAIBSYSA-N	238.983	-0.926	50	10	BBGE	
CC[C@H](C)N1CC(N2CC(=O)OC(=O)C2)C1	1980549232	SHSYRRFFCISYKR-QMMMGPOBSA-N	226.276	-0.146	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CCCC[C@@H]21	1980829202	UVSCJZHLACNDTQ-YUMQZZPRSA-N	243.332	-0.137	50	10	BBGE	
Cc1cc(-n2cc(Cl)cn2)ncc1B(O)O	1981465517	NIJYHVXCUBXAOC-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
N#C[C@H](Cl)CN1CCNCCNC(=O)CC1	1982246979	BMGYSOMBFCAUPX-VIFPVBQESA-N	244.726	-0.471	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)CC1(O)CCC1	1985211787	BRBCYAIUZSTAHG-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(=O)N2CCOC[C@H]2C1	1986928868	AZNPEVPRXBATSG-RKDXNWHRSA-N	243.694	-0.340	50	10	BBGE	
OB(O)c1ccn(CC2C[C@@H]3CC[C@H]3C2)n1	1988174284	BKGDLTKKTBCTSJ-UWVGGRQHSA-N	220.081	-0.001	50	10	BBGE	
NN=c1cnc(C(=O)NC[C@@H]2C[C@H]2Cl)c[nH]1	1991432918	NMVBDBDOAFCMGK-NTSWFWBYSA-N	241.682	-0.459	50	10	BBGE	
C[C@@H](O)[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648886	UVTIJNFUKNUUFH-HTQZYQBOSA-N	247.678	-0.084	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCN2C[C@@H](O)C[C@H]2C1	1991674082	ARMXEFHVAPKGGQ-QEYWKRMJSA-N	244.722	-0.109	50	10	BBGE	
CN(CCN1CCNCC1)C(=O)[C@H]1C[C@H]1Cl	1991681332	ZOELPQZUZHAQMP-VHSXEESVSA-N	245.754	-0.023	50	10	BBGE	
N[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1CO	1991709198	GBXMZJRKXJLTLO-FLPBZWPXSA-N	246.694	-0.524	50	10	BBGE	
O=C1CN[C@@H](C(=O)NCC2CC(Cl)C2)CN1	1991710827	HZUCQLPJWUHHQI-KAVNDROISA-N	245.710	-0.792	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1C(=O)/C=C/C(=O)Cl	1991712105	CNXKCTWTHOSBIU-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
C[C@@H](CC(=O)NN)N1Cc2cncnc2C1	1994942007	MOPLHTKZJORCCM-ZETCQYMHSA-N	221.264	-0.439	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3nc(B(O)O)cs3)C[C@H]21	1995063309	WYAQSZWAMMYQTP-PRJMDXOYSA-N	238.121	-0.085	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)C(=O)NN)CC12CCC2	1995104417	FYLSJKSEMDZYHK-NKWVEPMBSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998137165	IVAVNJKLLVUQNN-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
CON(CCOCC(=O)NN)C1CCOCC1	2000670186	MGRAEEJSDAAOOG-UHFFFAOYSA-N	247.295	-0.965	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H](CO)CN(CC(=O)NN)C1	2000769622	VXJCCTYIDBGHNO-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCn2ncc(O)c2C1	2002892457	GKAYGZRSKBGAET-ZETCQYMHSA-N	239.279	-0.827	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2004602357	IHAWWJGNJMAOOF-VPOLOUISSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)[C@@H](C)[C@@H]1C	2004921431	VZLZYWKBGNVSMU-HLTSFMKQSA-N	235.096	-0.363	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@H](C)CO1	2004935917	RTJIWIMITHMAPG-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CCOCC1	2004936098	UWXOBLLDYBGGRV-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2[C@@H](C)CC[C@@H]2C)ncc1B(O)O	2004972240	CBEZSLSAGTTYHK-YUMQZZPRSA-N	235.096	-0.158	50	10	BBGE	
Cc1ncnc(N2CC(CCF)C2)c1B(O)O	2004972420	FNOMYIWJIWOOEW-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]c(=N)o2)CC1	2005064129	YNKJUBYINRTWGJ-UHFFFAOYSA-N	236.231	-0.422	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)C1COC1	2007616042	OOMJRRGJRKTGSG-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
O=C1CN(C2CC(n3ccnn3)C2)CC(=O)O1	2012285558	YUIHDHRNSLYJTH-UHFFFAOYSA-N	236.231	-0.633	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1COCCOC1	2014495483	QTNXYVIVDDMJEQ-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ncccn1	2019219707	PMDVVYJBCGOLIK-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
Cc1cc([N+](=O)[O-])cn(CCC(=O)NN)c1=O	2024112309	SGXJOCCLGNGEAQ-UHFFFAOYSA-N	240.219	-0.555	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COc1ccccc1C(N)=O	2028046204	UKEZZLFMCVIMLS-CBAPKCEASA-N	249.270	-0.210	50	10	BBGE	
Cc1ccnc(-n2cnc(C(C)C)n2)c1B(O)O	2052598425	YXCBNUVCESHMNV-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1cc(N2C[C@H]3COC[C@H]3C2)ncc1B(O)O	2052620876	ZDEQXBDBVUGOTF-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
Cc1nc(N2CCN(C)C[C@@H]2C)ccc1B(O)O	2052625787	OSMOJZXDBYPDSX-VIFPVBQESA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)Cn1ccnc1Br	2208973389	YVBVASFNKLPLIN-UHFFFAOYSA-N	219.042	-0.365	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1ncccc1B(O)O	2212601016	HLBITPQVUGEECK-JGVFFNPUSA-N	224.069	-0.877	50	10	BBGE	
CC(C)[C@@H](CN)Oc1ncccc1B(O)O	2212604504	PNONZMLHIZSGIO-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
Cc1cnc(N2CCCCN2)cc1B(O)O	2212604933	UZKGOJDOVATBPD-UHFFFAOYSA-N	221.069	-0.825	50	10	BBGE	
C#C[C@H]1CCN1c1cc(B(O)O)c(C)cn1	2212605959	MJFKAGKTQUMZML-VIFPVBQESA-N	216.049	-0.718	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1cc(B(O)O)ccn1	2212613969	RLKUEJYQAGTICL-JGVFFNPUSA-N	224.069	-0.877	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(C)(C)CO	2214595941	OKFOSSGXVRLVLH-UHFFFAOYSA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2C(N)=O)CCC1	2216495549	PUISQYUJOBIWAB-MRVPVSSYSA-N	240.307	-0.904	50	10	BBGE	
C=C[C@@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2216534972	UQOUTVAXALHSTN-GFCCVEGCSA-N	239.319	-0.231	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)ccn1)C(C)(C)O	2217172381	JQZPSFNRKJHQCH-VIFPVBQESA-N	238.096	-0.277	50	10	BBGE	
COC[C@H]1CCCN1c1cc(B(O)O)ccn1	2217173365	PZOALTRHBKQYLZ-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2CCOC[C@H]21	2217183457	IKXOGKLMCPYCSX-NQMVMOMDSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC[C@H]2O)c1F	2217184656	QSHKCEFHTUFLKC-HTRCEHHLSA-N	240.043	-0.917	50	10	BBGE	
Cc1cnc(NCc2cnco2)cc1B(O)O	2217185424	XDLHJXOSHRNPPF-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CCN(CC)CCOc1cc(B(O)O)ccn1	2217189083	XRCLZWLGOFMFAH-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNc1ccc(B(O)O)cn1	2217196479	GGDGZQHWPUVJCY-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]2C2CC2)[nH]c1	2217201687	FFPBGRUWWGBEPY-ONGXEEELSA-N	232.092	-0.359	50	10	BBGE	
C[C@@]1(CCO)CCN1Cc1cccc(B(O)O)c1	2220068536	XMRSXLFUZHYXOD-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)cn2)CC=CC1	2221637266	FDVYAWAJXXIMQD-UHFFFAOYSA-N	247.063	-0.549	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1c1ncccc1B(O)O	2222178964	GYLGTHDLDCFNCI-ZJUUUORDSA-N	249.123	-0.710	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1Nc1ncccc1B(O)O	2223641680	CMMQLRQGRCQKGE-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
OC[C@@H]1CC2(CC2)CN1c1cc(B(O)O)ccn1	2223648692	ONWXZRCHOGGZAH-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N2CCCNC[C@@H]2C)cc1B(O)O	2223651465	CCFYIBXWLLBXDF-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCNCC23CC3)c1	2223666713	KYUCKOSSYZJCEG-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
CCN(C)[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2223667055	MPUNBIOZRFGWTE-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
OC[C@H]1C[C@@]2(CCN2c2cc(B(O)O)ccn2)C1	2223677706	RMZVNTBPQPCRSY-OTCDBFHCSA-N	248.091	-0.887	50	10	BBGE	
C[C@@H](CO)N(C)S(=O)(=O)N1CC(Cl)C1	2241354611	ZCTDVUKXLOTUMS-LURJTMIESA-N	242.728	-0.533	50	10	BBGE	
CSC[C@@H](C)N(C)C(=O)C#CB(O)O	2241467820	BMFRLUBVITYAKX-SSDOTTSWSA-N	215.083	-0.788	50	10	BBGE	
CCCN(C[C@H](C)O)[C@@H](C)C(=O)NN	2242074747	CSMNGSIVQICYCZ-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
NC1(CCCNC(=O)C2(B(O)O)CC2)CC1	2243364461	XKHSXYQKADFEKV-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
O=C(NCc1cn[nH]c1)C1CC(B(O)O)C1	2243391016	FJDBRVHZCPLWTE-UHFFFAOYSA-N	223.041	-0.721	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@H](O)C1	2243391025	FLIMCFYZUFEMJF-HACHORDNSA-N	227.069	-0.777	50	10	BBGE	
CC(C)[C@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2243400775	HSNXNUJZHCWWGD-QMMMGPOBSA-N	223.037	-0.967	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1nscc1B(O)O	2243409903	QVGNSTTXFXONIV-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@H]1C1CC1)B(O)O	2243432661	CBTNCJLLBHXLCU-BDAKNGLRSA-N	245.109	-0.728	50	10	BBGE	
CC(F)(F)C(=O)Nc1cccc(B(O)O)n1	2243684561	BWICMLXXXBSJRB-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
C=CC1CN(C(=O)c2csnc2B(O)O)C1	2245437076	WKJFEMFVGXUVEN-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247748192	ZFUGBJNEVPBXPP-CBAPKCEASA-N	236.080	-0.387	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)CCN1	2247751517	YPDTXGRHCSJKRH-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(NCCF)c1c(F)cc(B(O)O)cc1F	2247752028	HGPZNSAFWCQKSF-UHFFFAOYSA-N	246.981	-0.656	50	10	BBGE	
CC1(F)CC(NC(=O)c2occc2B(O)O)C1	2247753839	KAKQFSYNWKITGG-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
O=C(N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1)C1(B(O)O)CC1	2247756572	NWYPPDIGYAVOHL-KVSKUHBBSA-N	245.034	-0.037	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@@H]1O)C1(B(O)O)CC1	2247758052	SHHWQLWYZKDOPS-BDAKNGLRSA-N	241.096	-0.197	50	10	BBGE	
O=C(NCCC1(CO)CC1)[C@H]1C[C@@H](B(O)O)C1	2247789948	DDZROEPSTCAVGN-DTORHVGOSA-N	241.096	-0.482	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247796751	CHVATCSPXIAWBY-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@@H]1O	2247798589	VPTUSJCGIWTTEL-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247799150	ABUGCZQUEKZGPO-GUBZILKMSA-N	243.112	-0.141	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@H](O)CC[C@H]2C1	2247803312	AMJMUBAPYZHTRA-LOLPMWEVSA-N	239.080	-0.921	50	10	BBGE	
Cc1ccncc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247807118	PYNXNEVGABMIGB-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
COC12CCC(NC(=O)C#CB(O)O)(CC1)C2	2247849900	GTAQMKKXSYVEPB-UHFFFAOYSA-N	237.064	-0.780	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)o2)CC1	2247851308	XXBAGBCGZNQMJS-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H](O)[C@@H](F)C1	2247859756	OUJDQQWAMKUCBA-KZVJFYERSA-N	245.059	-0.829	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CCCNC2)C1	2247860227	UBSLHIVQLKJCAM-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)oc1C	2247868562	VSULGVWRYZTNGN-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877018	ANTUHCJCULZIHP-RKDXNWHRSA-N	240.112	-0.645	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)CC12CC2	2247878446	JWGIGWMXKUMKLH-QMMMGPOBSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247896744	JXFHTKJTJWQZCP-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2(CCC2)C1=O	2247899167	LAUNIHZEBTVLNG-HTQZYQBOSA-N	237.064	-0.222	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247900079	SQOXTGFIDVHZGS-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1N	2247904901	RJIWXNFQAOCEEV-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)C1CC(B(O)O)C1	2247909287	HQAWXUOTMIZXJH-RTBKNWGFSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(B(O)O)c1	2247974340	VYRMIHUGDDVNMS-XCBNKYQSSA-N	234.064	-0.104	50	10	BBGE	
C#CCC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2248443235	XMAMUJSXQQVEGE-VIFPVBQESA-N	231.060	-0.433	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(CC(=O)O)CC1	2248575705	HJWMTYVDBWKKMM-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1ncccc1B(O)O	2248693286	PABQNTDFBALPEU-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2249417410	FXDRNJMKYSMZPG-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
C[C@H](O)CN(CC1(C(=O)NN)CC1)C1CCC1	2250544767	FBQASGLWBOKWIO-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCC[C@H]2CC3)nc1	2251126418	RIXMLBIKZPXDFS-KWQFWETISA-N	233.080	-0.099	50	10	BBGE	
O=C(O)CC1(CC(=O)NCB(O)O)CCCC1	2251310876	NITTXSOKSNQXIK-UHFFFAOYSA-N	243.068	-0.460	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3CC[C@H]32)n1	2254704288	BHSCAAWWGHDKDN-WCBMZHEXSA-N	248.091	-0.241	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CCC12CCC2	2254962424	RNJPTZNZVMURQX-VIFPVBQESA-N	248.091	-0.497	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1ccccn1	2255456953	WEBSYSGEISVAJR-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
Cc1cncc(NC(=O)c2cc(B(O)O)c[nH]2)c1	2255463127	FFFOFICZFALQJE-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]2CC[C@@H]21	2255472732	HJVWTVPHTKBASS-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(C(=O)Nn2cccc2)c(B(O)O)c1	2255512516	AYDFRUQVXWEROU-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)n[nH]2)nc1	2255550373	LSVQKITZQOOJOJ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2n[nH]cc2B(O)O)C1	2255551797	BXXCIPGWKDSFMC-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)[C@H]1C[C@H](B(O)O)C1	2255564948	RUMIZDFBWFZZEE-RYISFUQRSA-N	247.103	-0.134	50	10	BBGE	
CC1=CCCN(C(=O)c2ncccc2B(O)O)C1	2255692446	VFUDJUBURJBHHW-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC[C@@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2255692541	LZWNXFLBZOBHAC-LLVKDONJSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]1C1CCC1	2255710598	MYCBYRLSQOXBLW-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cccc(B(O)O)c1F	2255726507	DMDSZOMJICUNGF-VIFPVBQESA-N	249.050	-0.212	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CCO[C@]2(C#N)C1	2298176090	RFAPSYHSWIBXTH-ATZCPNFKSA-N	238.291	-0.631	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298370921	RRSCOKMUWQMSJS-KBIXCLLPSA-N	238.096	-0.811	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@H](CCF)C1	2298376291	QBQTTZQHJMKQDL-HRDYMLBCSA-N	245.059	-0.564	50	10	BBGE	
CC[C@@H](C)N(C)CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376411	VLVKLZABOOZUHK-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
CC(C)(C)[C@@H](CCO)NC(=O)[C@@H]1C[C@H]1B(O)O	2298376824	QCFZSPHPBZKNRC-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CNCCC[C@@H](C)Oc1cc(B(O)O)ccn1	2299730665	OWQCKROYOYVLFP-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
NNC(=O)CCCCCCN1CCNC(=O)C1	2300628832	YDOVEMXSZDPYLV-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CC[C@@H](O)CNc1ccc(C=O)c(B(O)O)c1	2301422350	GQEKAMONEVZLKA-SNVBAGLBSA-N	237.064	-0.638	50	10	BBGE	
C[C@H](Cn1cc2c(cc1=O)CCC2)C(=O)NN	2303216773	COURDKGWNTXZRM-MRVPVSSYSA-N	235.287	-0.037	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](CO)C[C@@H](C2)C1	2303455435	WARPHTKVUZBETA-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
C#Cc1ncccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2305015107	MHWMEQKEWKUZFC-YUMQZZPRSA-N	230.032	-0.136	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@H](O)C2)cc1B(O)O	2317309351	RUPDYAIZHJLKEL-KOLCDFICSA-N	249.075	-0.496	50	10	BBGE	
C[C@@]1(Cn2cccc(B(O)O)c2=O)CC=CCO1	2317476740	NVURTJMLQROXQK-LBPRGKRZSA-N	249.075	-0.737	50	10	BBGE	
NNC(=O)CC(CC(=O)NN)c1ccccc1	1656343	NMMIPXKBYYWNPT-UHFFFAOYSA-N	236.275	-0.470	50	10	BBGE	
N#C[C@H](C(=O)NNC(N)=O)c1ccccc1	34246330	ZTEIEXBQIATBBV-QMMMGPOBSA-N	218.216	-0.007	50	10	BBGE	
COc1cc(F)ccc1NC(=O)C(=O)NN	49571865	VVHSSAGXOBUCHC-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](C)[C@@H](C)C(=O)NN	93072224	TXASFHMYMXKCTK-RKDXNWHRSA-N	244.339	-0.541	50	10	BBGE	
C[C@H]1CC(=O)N(CCCC(=O)NN)C1=O	110505379	VCUVUWNSZISJQF-LURJTMIESA-N	213.237	-0.849	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H](CC(=O)O)C(=O)O	170312644	UBBXBIQEWFUAPC-CRCLSJGQSA-N	237.639	-0.095	50	10	BBGE	
CC(=O)NNC(=O)c1cnn(C)c1Cl	196356285	SLXOLKAVWUIFOZ-UHFFFAOYSA-N	216.628	-0.146	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCCO1	203130289	GZIAAASGOKFAQX-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ccc(F)c(OC[C@@H]2CCOC2)c1	229339015	GJRONBBFFWJLNI-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)CC(C)(C)C(=O)NN	234374127	XAUJAPTZTSTABX-MRVPVSSYSA-N	244.339	-0.684	50	10	BBGE	
CO[C@@H]1CC[C@@H](N2CC(=O)OC(=O)C2)C1	234801900	SRANJHITKGIPPM-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
COc1ccc2ncc(B(O)O)cc2c1	238382189	HTAOFLWFBAWOSC-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
O=C(NCCO)C(=O)NN=C1CCCC1	238701451	GQUIKFAIXFHWKO-UHFFFAOYSA-N	213.237	-0.859	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1CS2	306703125	BBOULJYPNOLGLC-BIIVOSGPSA-N	215.322	-0.055	50	10	BBGE	
CC[S@](=O)N1CC[C@H]2C(=O)OC(=O)[C@H]2C1	307286397	QYKWNNRRQXNWHE-NVZATHNXSA-N	231.273	-0.309	50	10	BBGE	
CS[C@H]1CCN([C@@H](C)C(=O)NN)C1	307452973	ULPLYFBXMFLXKT-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
COC(=O)CCSCC=NNC(N)=O	308334733	MBAAPCPCTKQLKR-UHFFFAOYSA-N	219.266	-0.063	50	10	BBGE	
CSCC(=O)NNC(=O)NCCF	393551437	FXWWXJMOZWBXLZ-UHFFFAOYSA-N	209.246	-0.351	50	10	BBGE	
CC[C@](O)(COC)C(C)=NNC(N)=O	394743807	JFJZQAAYTQTHIR-QMMMGPOBSA-N	203.242	-0.182	50	10	BBGE	
CN(CCO)[C@@H](C(=O)NN)C(C)(C)C	395591291	KTVVTAOHXKBPIK-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CC[C@@H](C)OC1	401555755	CUOANDRYRVOEEL-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@H]2CCCO2)c1	404984883	NCTOQURHTLMJCB-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CN(C)C(=O)C(=O)NN	686388268	GFIZNWOTZDMAJL-GJMOJQLCSA-N	229.280	-0.752	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@@H]1O	689846771	WBMJESXSKOUZSK-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](CN(C)CCCC(=O)NN)OC	691287575	QYNQXBVFOYKZML-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
C[C@@H](C(=O)N(C)C)N1CCC(O)(C#N)CC1	692090413	JPPFNCWDNMENIK-VIFPVBQESA-N	225.292	-0.186	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@]2(C)C1	702404980	JDSYNGUNIHOTOZ-UMNHJUIQSA-N	240.351	-0.362	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703508689	ZXKQEIBZGNRWGA-HRDYMLBCSA-N	242.323	-0.803	50	10	BBGE	
CNNC(=O)[C@@H]1CCCN1c1ncccn1	704665214	LDJYTXJMUZTYTL-QMMMGPOBSA-N	221.264	-0.304	50	10	BBGE	
CN(N)C(=O)c1ccc(OCC(N)=O)cc1	704680770	FHGJNXQTENOYSJ-UHFFFAOYSA-N	223.232	-0.504	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(OCCOC)C1	707347421	QWRAGFMJBIRHJR-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)O[C@H](C)C1	709921056	XDBSZWKYOHYYIM-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([C@H](C)O)C1	719809247	ZNWWRPFHGZWPDI-IONNQARKSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@H]1CCCS1	819663850	KHUDKLMAVMXONA-PHDIDXHHSA-N	218.278	-0.590	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	822903491	OZMXNIZTJSYRJC-RNFRBKRXSA-N	236.231	-0.728	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCCO2)n1C	856046716	FFKXFYNRYPLAIX-ZETCQYMHSA-N	225.252	-0.254	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NN(C)C[C@@H](C)O	910185420	ZIPWUQBEQPHXHD-PSASIEDQSA-N	243.307	-0.659	50	10	BBGE	
Cc1nocc1NC(=O)c1cccc(B(O)O)c1	1300167045	SKTZXIHLNZLMPO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CNC(=O)NNC(=S)NCc1cc(C)on1	1331940074	OVKXOCMREULGAP-UHFFFAOYSA-N	243.292	-0.209	50	10	BBGE	
CC(=O)NNC(=O)/C=C\Cn1cncn1	1333993417	HQGUXWALBVOIMA-IHWYPQMZSA-N	209.209	-0.998	50	10	BBGE	
O=C(CCl)NC[C@]12COCCN1C(=O)OC2	1351743801	ZTELGSSEWNNSCB-SECBINFHSA-N	248.666	-0.437	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cnnc(O)c1	1450945770	NFTLEZDTVUUDHM-LURJTMIESA-N	226.236	-0.860	50	10	BBGE	
O=C(NNc1ccncn1)c1cc(=O)cc[nH]1	1468217264	WFWDZRSYAOWAPP-UHFFFAOYSA-N	231.215	-0.078	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCC=CO1)c1ncccn1	1626776659	WDKVRFCGAIYZDE-QMMMGPOBSA-N	248.242	-0.070	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1nsnc1O	1642192599	JKZRBCQDJIYCBK-BYPYZUCNSA-N	232.265	-0.799	50	10	BBGE	
NCCONC(=O)[C@@H]1C[C@H]1Br	1877397717	WNYUMTSFGXFFRA-RFZPGFLSSA-N	223.070	-0.224	50	10	BBGE	
C[C@@H](CBr)NC(=O)Cn1cnnn1	1881855106	JTRLQKCAXVNHKJ-YFKPBYRVSA-N	248.084	-0.427	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)[C@H]1C[C@H]1Br	1883533013	NJYQQHDYFAFITE-CRCLSJGQSA-N	245.080	-0.041	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)C1CNC1	1883627453	VFIQYUCGMCIJLA-UHFFFAOYSA-N	202.641	-0.262	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)CC12CNC2	1886857605	UHRAGGQFTNKHLU-HTQZYQBOSA-N	215.684	-0.474	50	10	BBGE	
O=C(CBr)N1CC([C@@H](O)CO)C1	1887274077	SUXJZCGJNRLOKK-LURJTMIESA-N	238.081	-0.807	50	10	BBGE	
C#CCNC(=O)CCNC(=O)[C@H](C)Cl	1887694096	NONIZOTUYSJSKL-ZETCQYMHSA-N	216.668	-0.131	50	10	BBGE	
NNC(=O)CCOCC1[C@H]2COC[C@H]12	1890317207	RHBHHKSFOLKQIU-HTQZYQBOSA-N	200.238	-0.725	50	10	BBGE	
CN(C)CC1(O)CN(CCBr)C1	1892503555	SVCOTAZJTMCHJA-UHFFFAOYSA-N	237.141	-0.010	50	10	BBGE	
NC[C@H](O)CCC(=O)NC[C@@H]1C[C@H]1Cl	1893129435	VHROFMYUSMMSLZ-XLPZGREQSA-N	220.700	-0.170	50	10	BBGE	
CCNC(=O)CNC(=O)/C=C/C(=O)Cl	1893498587	WAHAPXXAHUUTPD-ONEGZZNKSA-N	218.640	-0.440	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	1900161117	DVXRLGXPSIWMPB-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1csc(CN2C[C@H](F)[C@@H](F)C2)n1	1902639489	QUNUTELFONNWNO-WDSKDSINSA-N	248.063	-0.685	50	10	BBGE	
CS[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903005228	DOPVIQBGFOIZME-LURJTMIESA-N	244.100	-0.514	50	10	BBGE	
CCC[C@H](CO)Sc1ncc(B(O)O)cn1	1905074775	AJOMKWOTQZZSBB-MRVPVSSYSA-N	242.109	-0.591	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)[C@@H]1C[C@H]1F	1907455385	IDEGUDHFMUNYTQ-RNFRBKRXSA-N	241.002	-0.198	50	10	BBGE	
Cn1cnc2cncc(C=CB(O)O)c21	1911729324	UZHWPUSBVXXOTF-UHFFFAOYSA-N	203.010	-0.007	50	10	BBGE	
COC1(C(F)(F)C(=O)NNCCO)CCC1	1912525951	HPPIHHWHIBVIDT-UHFFFAOYSA-N	238.234	-0.196	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC1CCOCC1	1927915286	DYEJWQQXXDQVOE-IONNQARKSA-N	214.265	-0.192	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CO)C1	1929741081	APQXPMXJVQERQM-QMMMGPOBSA-N	201.270	-0.931	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NNCCO)S1	1931585457	QGZBWMCPVGBTJZ-NKWVEPMBSA-N	204.295	-0.116	50	10	BBGE	
CON(CCOCC(=O)NN)CC(C)(C)C	1937151335	YARFQZGNTGZFDZ-UHFFFAOYSA-N	233.312	-0.098	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1	1937398954	MXNPDWJGJXRVMW-URLYPYJESA-N	221.304	-0.198	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(F)(F)CO	1938123312	YIWWPCMIDDTURO-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)CC1(C(=O)NN)CC1	1938246552	JKYGIMDPHSDORP-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CN1CCN(C[C@H]2C[C@H]2C(=O)NN)C(C)(C)C1	1945279923	FZEQPFXJQRMYMW-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
CN1CCC(N(C)CC2(C(=O)NN)CC2)CC1	1945882861	ORAVYVUXCGLGDI-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H]1[C@H](CO)C2)C(=O)NN	1951017439	CGXCGOBZTMORPD-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
O[C@H]1[C@@H]2C[C@@H](CN2CCOCCCl)[C@H]1O	1958774630	JGFUARONAXCVRS-QEYWKRMJSA-N	235.711	-0.332	50	10	BBGE	
NC(=O)NC1CCN(C[C@@H](O)CCl)CC1	1960162516	DDJNXQHJAVKPPV-QMMMGPOBSA-N	235.715	-0.281	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961395115	ABKRREXVCTXJBG-JKUQZMGJSA-N	218.996	-0.594	50	10	BBGE	
C[C@@H](Cl)CC(=O)N(C)[C@@H]1CC(=O)NC1=O	1962374171	UDKOAESKTKTAGV-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
COCCNC(=O)CNC(=O)C[C@@H](C)Cl	1962374291	VCQGVZRFZVEDIW-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
CC[S@@](=O)N[C@@H](C)c1cc(B(O)O)cs1	1974922974	NLECBEYPCLRUJO-WDDATRMLSA-N	247.150	-0.238	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](Nc2nccnn2)C1	1974979735	QIKAZVITNRLYHG-RITPCOANSA-N	248.695	-0.312	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2C[C@@H](O)C2)[nH]1	1976105567	IJPKSSUYGBSVIV-OLQVQODUSA-N	243.698	-0.577	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1ncno1	1976744874	JVOZEJGANNVMES-SSDOTTSWSA-N	227.268	-0.340	50	10	BBGE	
C[S@@](=O)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	1981209429	WMKHRYPJWOVDRA-VPTHRUTESA-N	247.364	-0.546	50	10	BBGE	
Cc1nc(S[C@@H]2CCOC2)ncc1B(O)O	1981451237	SRRDMGNLMIBUTH-SSDOTTSWSA-N	240.093	-0.654	50	10	BBGE	
O=C(NCC#CCCl)[C@H]1Cc2nncn2C1	1983001155	WDGMOJHNCLKKFD-QMMMGPOBSA-N	238.678	-0.191	50	10	BBGE	
CCN(CCF)c1nc(C)ncc1B(O)O	1986593078	ZKKKFRCKVHEVQP-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]1C(F)(F)F	1992124262	BGMJHQYOEUYZQT-WDSKDSINSA-N	234.970	-0.684	50	10	BBGE	
C=C(COC[C@H](C)N1CCOCC1)B(O)O	1992159170	HEOXOLLPPLAGTF-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
OB(O)c1ccn(CC2C3(CC3)C23CC3)n1	1994227927	HHWSSZNLIDBDQQ-UHFFFAOYSA-N	218.065	-0.247	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)C[C@H]1CO	1994832216	CIDASGUMFIXZNS-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CCN1CCN([C@H](C)CCC(=O)NN)CC1=O	1996755795	IXAWESLSCDBBSD-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)[C@H]1CC[C@@H](O)CC1	1997588368	OHJPKOXAOGEGMY-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CCO[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)NN	1998884520	NBNDETACDNVOHN-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C2(CCC2)C1	2000816020	ZEZGMAVYSWGPRY-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CCC[C@H]1COCCN1[C@H](COC)C(=O)NN	2003903963	AEVCAUDXDFOGPC-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1ccc(N2CCC(CF)CC2)nc1	2004914938	UGNWNIMQYWSXMF-UHFFFAOYSA-N	238.071	-0.053	50	10	BBGE	
CCN(c1ncncc1B(O)O)[C@H](C)C1CC1	2004916188	IVRILPVOUUTLQN-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1[C@H]2CCC[C@H]12	2004918874	QZYMMDAQMTWPJX-UWVGGRQHSA-N	232.092	-0.004	50	10	BBGE	
CON(c1ncc(C)cc1B(O)O)C1CCC1	2005016410	OWSPPMFZWVKNFU-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2CC[C@H]2C1	2005016947	XGOFRSMONJSOCR-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ncc(F)cc1B(O)O	2014926116	JHFSYBOILPGMHJ-POYBYMJQSA-N	242.034	-0.163	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)C(=O)C(=O)NN)C[C@H]21	2016050717	LRZXCYWUFGSAJO-RBXMUDONSA-N	241.291	-0.752	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016503337	AQKJUKDXYQOZBE-YXZBHFDYSA-N	240.303	-0.089	50	10	BBGE	
CC(=O)NNC(=O)CN1CC=CCC12COC2	2023397515	MKPGICCRTPUDRS-UHFFFAOYSA-N	239.275	-0.815	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2026818694	JEPDAVOWNQWDKW-ZOZBQHSOSA-N	232.048	-0.810	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@]2(CCCO2)C1	2052499504	UXXNULPWOSQQSS-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
COCc1cccc(Cn2cc(B(O)O)cn2)c1	2071399625	MEFXCFVKXRJRSC-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
C=C(CN(C)Cc1ccn2nncc2c1)B(O)O	2077482751	JJSCSEREUQHMHU-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccccc1B(O)O	2079011761	ITLYTUYBAUVQRG-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](CO)CC1CC1	2210716666	LWEMCAAXWQFEFL-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](CN)Oc1cc(B(O)O)c(C)cn1	2212605614	HMEYDLNBKDBZQT-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213027310	NHNOZTHSHZXFBC-XWLWVQCSSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)[C@@H]1C	2214803775	ILIGDMLSDCGCOE-UTINFBMNSA-N	245.323	-0.918	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@H]1CC[C@@H]1C(=O)NN	2215776235	LPNFSDVWNXEEAZ-RCWTZXSCSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3[C@H]2CO)CCC1	2216527752	HCAOQTFTPJPUPY-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)cc2)CC1	2217052872	TXMGCCXCPGJRFE-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCCO2)cc1B(O)O	2217168839	YQKVFLVNLLYCJL-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Oc1ccc(B(O)O)cn1	2217172670	LPAFOEXVWXTSEH-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
C[C@H]1CCO[C@H]1CNc1cc(B(O)O)ccn1	2217174062	WAXHRBIBQAVREO-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)CO1	2217176065	QWMXTGQNMFKJLG-IONNQARKSA-N	237.068	-0.864	50	10	BBGE	
CCC(C)(C)CCN=c1ncc(B(O)O)c[nH]1	2217179704	BFBMTHFMBZRUTJ-UHFFFAOYSA-N	237.112	-0.184	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2OCC[C@H]2F)nc1	2217183464	LLHUFKCXMVALFW-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
CC(C)[C@@](C)(CN)Oc1cc(B(O)O)ccn1	2217189476	DRPYFXUZYKIVCY-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
C[C@](CO)(Nc1ccc(B(O)O)cn1)C(F)F	2217201555	QYAFLQVWXOLXRT-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCC[C@@H]2O)c1	2217203930	BZKIONFZVQRMCH-ZJUUUORDSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCC[C@@H]1O	2217205393	YJJPOTJHWGEIJK-UWVGGRQHSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CC[C@@H]1O	2220059912	TZQUELAEBRKEMS-MFKMUULPSA-N	249.119	-0.431	50	10	BBGE	
CN(Cc1cnccn1)C[C@H]1CC[C@@H]1C(=O)NN	2221571880	IEVKSZPOIVWCAQ-KOLCDFICSA-N	249.318	-0.076	50	10	BBGE	
Cc1cnc(NC[C@]2(C)CCCN2)cc1B(O)O	2223642035	YCYGEHFVRXYNIT-LBPRGKRZSA-N	249.123	-0.376	50	10	BBGE	
N[C@@H]1CCCC12CN(c1ncccc1B(O)O)C2	2223676216	YDWSGURKHCOMOY-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
O=C(NCc1ccccc1)c1cc(B(O)O)n[nH]1	2241475159	RUZHWCBXYZNDTQ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
COC(=O)NC[C@@H](C)NS(=O)(=O)CCl	2241783989	UZYXAFZIZJCLLV-RXMQYKEDSA-N	244.700	-0.153	50	10	BBGE	
OC[C@@H]1CN(CCCCl)C[C@H](O)[C@@H]1O	2242199182	NSUWSXVANFUFFK-XHNCKOQMSA-N	223.700	-0.739	50	10	BBGE	
CCNCCSC[C@@H](C)C(=O)NN	2242283018	QTUQNKYFQKAPIA-SSDOTTSWSA-N	205.327	-0.045	50	10	BBGE	
CCCN(C)c1nc(OC)ccc1B(O)O	2243037113	PDOSSBXALVIKPK-UHFFFAOYSA-N	224.069	-0.384	50	10	BBGE	
O=C(C#CB(O)O)Nc1c(O)cccc1F	2243349771	QHJYZEAJDTXNDS-UHFFFAOYSA-N	222.968	-0.515	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2243362132	MUHPMNWZGKPVNF-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccoc2B(O)O)[C@@H]1C	2243362326	PJCWCABVTZLZHO-UQWHLADISA-N	223.037	-0.656	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243363320	FARNHQDIKCVEBL-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1NC(=O)C1(B(O)O)CC1	2243364183	SHUJGDSDZQPOCZ-RNFRBKRXSA-N	226.085	-0.765	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)c(C)s1	2243373463	QEKXYWLLIDSIEF-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
CCNC(=O)c1cc(C)c(B(O)O)c(C)c1	2243381632	HLVKFWZMZXZZPE-UHFFFAOYSA-N	221.065	-0.267	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)CO	2243390767	BBJDGJKSVUKVQY-JGVFFNPUSA-N	229.085	-0.531	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)[S@](C)=O	2243395998	FYHFPRNZWNYJJV-MKBRYRQJSA-N	247.125	-0.877	50	10	BBGE	
COC12CC(C1)N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2243396590	OFHRMGSAWUIWCQ-VHSUDJNHSA-N	225.053	-0.761	50	10	BBGE	
CCC1(NC(=O)c2csnc2B(O)O)CC1	2243420433	SNPHBPVYFFEHOC-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CN(Cc1cscn1)C(=O)[C@H]1C[C@H]1B(O)O	2243426430	IEMWZUAPCYQWSZ-JGVFFNPUSA-N	240.093	-0.036	50	10	BBGE	
CCN(C[C@H](C)OC)C(=O)[C@H]1C[C@H]1B(O)O	2243426748	LHNNTZJTSANKDS-XHNCKOQMSA-N	229.085	-0.267	50	10	BBGE	
C#CC(=O)N(C)Cc1sc(C)cc1B(O)O	2243678090	DVURQUBMRXBNQK-UHFFFAOYSA-N	237.089	-0.672	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cc(B(O)O)co1	2244221483	MNYVOAYYRSKKPR-MRVPVSSYSA-N	223.037	-0.512	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245917411	PCNNPXQZDHDRDZ-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ccc(B(O)O)cc1	2246784542	MJGNUGRUEJOWQZ-MRVPVSSYSA-N	234.064	-0.008	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2(CC2)C1	2247723575	UAYRQUPNODORQI-UHFFFAOYSA-N	235.048	-0.496	50	10	BBGE	
O=C(N[C@H]1CNC2(CCC2)C1)C1(B(O)O)CC1	2247750312	HGRBGVFDGOPOEB-MRVPVSSYSA-N	238.096	-0.606	50	10	BBGE	
CC(C)CNC(=O)c1cccc(B(O)O)c1F	2247752646	TWUZKTPLWXJFBX-UHFFFAOYSA-N	239.055	-0.109	50	10	BBGE	
O=C(NC[C@H]1[C@H]2COCC[C@@H]21)C1(B(O)O)CC1	2247754625	GTLYZNPJOGMHEN-HLTSFMKQSA-N	239.080	-0.608	50	10	BBGE	
O=C(N1CCO[C@@H]2CCC[C@@H]21)C1(B(O)O)CC1	2247756579	NXPTYGVKZWXJCH-DTWKUNHWSA-N	239.080	-0.227	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cccc(B(O)O)c1F	2247758571	MGYYXLMBVLVUTG-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
O=C(N1CCO[C@@H](CCF)C1)C1(B(O)O)CC1	2247758661	VQILQNZTCYRFNA-QMMMGPOBSA-N	245.059	-0.420	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@]12CCOC2	2247787002	JSJQHLQPKIRQAA-WCABBAIRSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247791263	MIJMKRKOTRBFRI-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
O=C(NCCC[C@@H]1CCCN1)[C@H]1C[C@H]1B(O)O	2247791845	PECAAJMEBKTFRB-LPEHRKFASA-N	240.112	-0.502	50	10	BBGE	
CC(C)N(O)C(=O)c1cccc(F)c1B(O)O	2247870322	HZKSBILZFPAURY-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccsc1B(O)O	2247872512	TVCKVKSYRSYHIZ-MRVPVSSYSA-N	249.100	-0.334	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)C2(B(O)O)CC2)C[C@H]1O	2247879746	XKANJTAWTQLDRU-HTQZYQBOSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@]12CCOC2	2247894331	FSBITOYIUZJFFB-YWVKMMECSA-N	239.080	-0.369	50	10	BBGE	
O=C(NC[C@@H]1CCNC12CC2)[C@@H]1C[C@H]1B(O)O	2247899235	LQXUUSUGUTYXOL-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)[C@H]1C[C@@H]1F	2248252331	JBSMWAZQAATUBQ-WDSKDSINSA-N	241.990	-0.803	50	10	BBGE	
O=C(O)C1=CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2248587001	KIKDUQBKBCNVRV-JGVFFNPUSA-N	239.036	-0.907	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248587713	TVFSTJGENDBMOD-FXQIFTODSA-N	243.068	-0.678	50	10	BBGE	
CCCCN(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248593279	LKWULKQWUJXLAD-JGVFFNPUSA-N	243.068	-0.437	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1cocc1B(O)O	2249411040	PRFMMJBWZARCOH-IUCAKERBSA-N	241.027	-0.420	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1cocc1B(O)O	2249424063	NWVJXZDGKWCXEB-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cc(B(O)O)co1	2249429506	VZNIHTWTEHALCG-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCC2(CC2)C1	2255456872	UOHFSCYATGPFPV-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(C(=O)O)ccc1O	2255469450	PGUNNAPELCNKDV-UHFFFAOYSA-N	248.987	-0.956	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(OC)ccc1B(O)O	2255502293	GUMMGZIKNQKQDZ-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1=O	2255529919	JDPBKJMUFZHKFS-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H](C)C#N)c(B(O)O)c1	2255736703	RWRHXRICZWOESK-VIFPVBQESA-N	246.075	-0.436	50	10	BBGE	
Cc1nccc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2255773294	LFPGUPQXQMNNJE-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
Cc1nc(NC(=O)C2CC=CC2)ncc1B(O)O	2256604521	DDLZJAYXBZEVFK-UHFFFAOYSA-N	247.063	-0.630	50	10	BBGE	
Cc1cnc(NC(=O)c2cocc2B(O)O)cn1	2258126266	UJPJGDPGGLWRHS-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC#CCC(=O)NCc1ccc(C)c(B(O)O)c1	2264097631	JAZZRZMXFYWCPF-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2298164928	QUTYPSKNYRBZTJ-HRDYMLBCSA-N	242.323	-0.931	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)OC1	2298368650	QHBIXKPNOPLCDV-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)OC1	2298368651	QHBIXKPNOPLCDV-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1C[C@](F)(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298368910	BTBDCGOHMYGHEL-UICFKRDXSA-N	244.075	-0.815	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370453	YXNKVIXAIQDDRV-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2302049775	KMIRSIGBPVBLPY-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3OCC[C@@H]3O2)C1	2303101637	LYRSFTACDFSETM-VPOLOUISSA-N	241.096	-0.519	50	10	BBGE	
C[C@]12CO[C@](C(=O)N3CC[C@H](B(O)O)C3)(C1)C2	2303108703	JSZBTEJOSSSIJY-INTQDDNPSA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](Cn3cc(B(O)O)cn3)(C2)O1	2303201687	YXLATNBEIYXKIL-ATZCPNFKSA-N	236.080	-0.480	50	10	BBGE	
COc1cnn(-c2cc(B(O)O)c(F)cn2)c1	2303835068	QCUMPSZHKONMIG-UHFFFAOYSA-N	236.999	-0.905	50	10	BBGE	
OB(O)c1cc(OC2CCNCC2)ncc1F	2303860671	IKQZVIGBILQPJK-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
NCC1CC(Oc2ccc(C=O)c(B(O)O)c2)C1	2317351808	OIQBFBCHBDBPSM-UHFFFAOYSA-N	249.075	-0.705	50	10	BBGE	
CCC#CC(=O)N1CCc2c(B(O)O)cccc21	2319239526	DLODRSHNOSLALB-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CCNC=C(C#N)C(=O)N1CCN(C)CC1	2325461959	ZOSJRJCAGPWTDZ-UHFFFAOYSA-N	222.292	-0.223	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H]2CCCC[C@H]21	43428922	KNWHDHAQOJVWBZ-SFYZADRCSA-N	227.264	-0.854	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COCC2CC2)O1	82464659	VEGUHRHOFZERIZ-BDAKNGLRSA-N	214.265	-0.050	50	10	BBGE	
CC(C)(Cn1nc2ccccn2c1=O)C(=O)NN	93728180	CMIXPRKPWIFXCP-UHFFFAOYSA-N	249.274	-0.488	50	10	BBGE	
CN(C)CCN(C)Cc1occc1C(=O)NN	111727513	MASJUUYVZGPJOH-UHFFFAOYSA-N	240.307	-0.124	50	10	BBGE	
Cn1ccn(Cc2ccc(C(=O)NN)cc2)c1=O	125244626	QMRJFSMFWMYJMW-UHFFFAOYSA-N	246.270	-0.161	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CC[C@@H]1O	127611028	VDAYTFDQGKFVKC-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@@H](C)CCl	168630049	MKZGWRXFOHIJRF-BYPYZUCNSA-N	230.673	-0.196	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCNC(=O)CC#N	169908979	AOWWHESBQNBGRV-ZCFIWIBFSA-N	217.656	-0.240	50	10	BBGE	
COCCOCOc1ccc(B(O)O)cc1	202763547	MHEDCGWZTPNVOH-UHFFFAOYSA-N	226.037	-0.634	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CN)C1	216473882	RYQXTWIJDMXIGT-IUCAKERBSA-N	214.313	-0.719	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCO[C@@H](C)C1	216478091	LKHRPMQCPFTQOD-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCN(C)C(=O)[C@H](C)NS(=O)(=O)CCl	231876578	XFGSSMNLCZTDAL-LURJTMIESA-N	242.728	-0.031	50	10	BBGE	
CC(=O)NC(=S)N(NC(C)=O)C(C)=O	238103311	ZRSPARBFVAUSFW-UHFFFAOYSA-N	217.250	-0.693	50	10	BBGE	
NNC(=O)c1nc(Cl)c(O)nc1N	238563294	LFUZTLYJNZKVIZ-UHFFFAOYSA-N	203.589	-0.979	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCC[C@H]1O	252923301	JQEYGROASRHDOL-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
OB(O)c1cc(-c2ccncn2)cs1	306657712	KEHZVUCSTCMMIJ-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
O=C(CCBr)N[C@H]1CONC1=O	306838750	XQHUHIZQRNDDKH-BYPYZUCNSA-N	237.053	-0.682	50	10	BBGE	
O=C1NNC[C@H](OCCCl)[C@@H]1Cl	307024687	WLXBFGPBTZKPOA-WHFBIAKZSA-N	213.064	-0.148	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@]1(C)CCO[C@@H]1C	309738618	CWMHKDWDLAIIKR-XCBNKYQSSA-N	229.280	-0.689	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1CCC(=O)NN	390808656	OUIWATVBCSDYMN-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
Cc1nnc(CNC(=O)NC(=O)CCl)n1C	393156299	QUGMYUGHWWDMIO-UHFFFAOYSA-N	245.670	-0.312	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1C(=O)OC	396140972	XWOGDSBXWAVCRB-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
O=C(O)c1cc2c(B(O)O)cc(O)cc2s1	396383284	NNQLUUFKSNUEGF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COCC(=O)Nc1ccc(B(O)O)c(F)c1	405005982	MTNCYDLEXGDGCK-UHFFFAOYSA-N	227.000	-0.910	50	10	BBGE	
OB(O)c1sncc1Br	687827661	TYLCXLALIMUTGL-UHFFFAOYSA-N	207.845	-0.415	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@H]1C1CC1	699065256	YYHKDHBEWIQRGE-UWVGGRQHSA-N	246.075	-0.254	50	10	BBGE	
CCO[C@@]1(C(=O)NNC(N)=S)CCOC1	706054427	YYKXRUYBUZOKNF-QMMMGPOBSA-N	233.293	-0.954	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C[C@@H]1C	706206775	HONZBJXHYCLLLZ-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@@H](C(C)C)C1	708954406	YLNDZCTWHUEQJX-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1COCC[C@H]1O	710926290	YCCJDTJQUDYJKN-LURQLKTLSA-N	241.243	-0.947	50	10	BBGE	
O=C1C[C@H]2CCN(C(=O)CCl)C[C@@H]2N1	725665725	YQCGVDPKHUZBEL-RQJHMYQMSA-N	216.668	-0.038	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NNC(=O)C(C)(C)O	867672006	AAYCGACHBAUCOC-GJMOJQLCSA-N	244.291	-0.282	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc2cccnn12	1142342863	NDMYJOSRTZVHDG-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
CCNC(=O)CC(=O)NNc1ccncn1	1158666047	XQSHOTFIXLCDKQ-UHFFFAOYSA-N	223.236	-0.554	50	10	BBGE	
COC(=O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	1290575125	AVRSYTKECFAKHD-YCRREMRBSA-N	248.242	-0.384	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1cncnc1	1324258574	NKBRNPPSSYIGNS-UHFFFAOYSA-N	208.221	-0.302	50	10	BBGE	
COCC(C)=NNC(=O)c1cn(C)nn1	1333706639	BOZSBQNNAVJXJI-UHFFFAOYSA-N	211.225	-0.433	50	10	BBGE	
CCc1cc(NC(=O)NNC(=O)CCO)no1	1338053187	UTHCAZYVRMVRMR-UHFFFAOYSA-N	242.235	-0.228	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnc2cccnn12	1442477067	RMVQRISAICXSDO-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])n[nH]1	1469434891	KVCBNTOMAJUXDO-UHFFFAOYSA-N	243.223	-0.723	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1cn[nH]c1	1587135625	QTBCPZQDMQNXFR-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)CC2CC2)o1	1625073519	OQGVRLIDGUOXEE-UHFFFAOYSA-N	238.247	-0.132	50	10	BBGE	
NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1883638427	GCALIELTZGFVHH-RITPCOANSA-N	204.657	-0.854	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@H]1C[C@H]1Cl	1883639717	OXEBUAUMALASJM-NTSWFWBYSA-N	204.657	-0.936	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@@H]1[C@@H](O)CO	1885362681	CHCIPVPBUXCINV-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCO1)C(=O)NN	1889799068	IEZPAYXWQCQHPA-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CNC(=O)C[C@H]1CNCCN1C(=O)F	1892021966	YZCPUNSAPKKIPS-LURJTMIESA-N	203.217	-0.514	50	10	BBGE	
CN(C)NC(=O)[C@@]1(O)C[C@@H]1C(F)(F)F	1892574936	NPPYYADHVOVJFY-UJURSFKZSA-N	212.171	-0.108	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1894283392	MMOKNRMCRLCHHU-KYXWUPHJSA-N	225.292	-0.667	50	10	BBGE	
NNC(=O)CCCCCCN1CCS1(=O)=O	1900661888	KPVNBFGMVPWOLU-UHFFFAOYSA-N	249.336	-0.428	50	10	BBGE	
CN(NC(=O)[C@]1(C)CC[C@@H](N)C1)S(C)(=O)=O	1901374473	UODYPXMAIRKDNN-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1csc(CO[C@@H]2C=CCOC2)n1	1902652345	GHFXRWUVKIWJQC-SSDOTTSWSA-N	241.077	-0.706	50	10	BBGE	
CC[C@](C)(CSc1nncn1N)C(=O)NN	1902714787	YVQQYCDFZSAKGA-MRVPVSSYSA-N	244.324	-0.510	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1nscc1B(O)O	1905064203	CCMIATOTZHAPNY-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
COc1ccc(C[C@@](C)(N)B(O)O)cc1	1912278359	WVZPSTGUHLSTDU-SNVBAGLBSA-N	209.054	-0.033	50	10	BBGE	
COC(=O)[C@H](N)CC(=O)NCC(Cl)Cl	1913542742	AUPXJCRKJWJXBM-SCSAIBSYSA-N	243.090	-0.203	50	10	BBGE	
C[C@H](NNC(=O)C(F)(F)F)C(=O)NC1CC1	1923440702	TXEOBVWPAYJTBW-BYPYZUCNSA-N	239.197	-0.163	50	10	BBGE	
C[C@@H]1CSCCN1CCOCC(=O)NN	1928183052	MKOMMYNLLGFMSF-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
Cn1nnnc1CN[C@H]1COC[C@H]1CCl	1928737387	DTOQIMKXVUDUOS-RQJHMYQMSA-N	231.687	-0.447	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)[C@@H](C)C(=O)NN	1929907288	DEDVVZLQGMQXBH-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CN(C)c1ncc(CNC(=O)NN)s1	1930173121	BBTZQQYZASFVJX-UHFFFAOYSA-N	215.282	-0.118	50	10	BBGE	
N#CCN(CC#N)CC1(C(=O)NN)CC1	1931266214	CCDJUXBUSJIDQT-UHFFFAOYSA-N	207.237	-0.894	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@]1(C)CO	1932968490	XLVNRILYTZKJAI-SCZZXKLOSA-N	215.297	-0.542	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOC1(C)C	1933166558	MTRLPVOZIINJTF-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
Cc1csc(CN(C)[S@@](C)=O)c1B(O)O	1935214874	ZFRSHUILSPYVSR-OAHLLOKOSA-N	247.150	-0.538	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088670	PUFBHKMMSPSRJM-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1cccc(CN2CCCCO2)c1	1937138400	BJAWWZKYUKRKND-UHFFFAOYSA-N	221.065	-0.106	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COC[C@@H]1CCl	1937180097	LTJJSDGWNMXMOT-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
C[S@@](=O)N1CCc2c(cccc2B(O)O)C1	1937505760	CTVORBWZLBWSFQ-MRXNPFEDSA-N	239.105	-0.982	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H](O)CCC[C@H]2C1	1938057549	ZOPTYZQCYVZUFG-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CC2(C(=O)NN)CC2)C1	1939552728	MJBAFFRWBGWWFS-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1CCOCC(=O)NN	1941773039	RJPMASOTYLWGMB-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1942762200	OUHYWAOBIHGCKL-ZMLRMANQSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946396427	IAAOJEFUHPBILS-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)COCCN1CC([C@H]2CC2(F)F)C1	1948094998	MPEVTNKIFNCQCD-MRVPVSSYSA-N	249.261	-0.420	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCCl)C[C@@H]12	1956251532	HCVSMVZALAZHKM-KNVOCYPGSA-N	216.668	-0.180	50	10	BBGE	
O=C1NC(=O)[C@@H]2CCN(CCCl)C[C@@H]12	1956252647	SBJHBOQNWIQCRR-RNFRBKRXSA-N	216.668	-0.180	50	10	BBGE	
C=C(CCl)CN1CC(OC)(C(N)=O)C1	1956255637	BJRYDNFGANUPAR-UHFFFAOYSA-N	218.684	-0.033	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961510016	XMQVHSPKRUNQAE-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
COC1(C)CN(c2nc(B(O)O)cs2)C1	1961718084	JWFUVWNHRRSXQA-UHFFFAOYSA-N	228.082	-0.952	50	10	BBGE	
OB(O)c1cc(Cl)cnc1-n1cccn1	1961723176	LGGZGEAKFJIPSZ-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
CC(C)[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976994237	HFLRHPJIJMNSLM-NKWVEPMBSA-N	231.057	-0.679	50	10	BBGE	
CC(C)[C@@H](O)CN(C)[C@@H](C(=O)NN)C(C)C	1979850196	WLNPMYNHMBHWSQ-VHSXEESVSA-N	231.340	-0.050	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	1980230128	YVNQJFVTBRFCFV-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CC(F)C2)C1	1981212382	XNJZPWWDXSVIBI-QMMMGPOBSA-N	231.271	-0.575	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ccc(B(O)O)cn1	1981415719	IAFSOROWKBCCKT-IONNQARKSA-N	224.044	-0.302	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983567098	INGXCQYEHYTIDR-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCOC2=O)C1	1985356283	CVASMSQHXVMADF-YUMQZZPRSA-N	227.264	-0.155	50	10	BBGE	
CC(C)(CCN1C[C@@H]2COC[C@H]21)C(=O)NN	1987061339	MMAWVXKGBBIJCN-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CN(CCCCC(=O)NN)C1(CCO)CC1	1988602010	VXPSYKQHDDEEQQ-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(CC(F)F)C1	1990774551	KMCHZXJXQAEVKZ-UHFFFAOYSA-N	235.234	-0.259	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1[C@@H](C)[C@H]1C	1990774836	NVMQQUMFZHCLGE-DIYOJNKTSA-N	227.308	-0.013	50	10	BBGE	
O=C1N[C@H](C2CNC2)C(=O)N1C[C@@H]1C[C@H]1Cl	1991443695	WRHPJAJNGLIAOB-UIISKDMLSA-N	243.694	-0.247	50	10	BBGE	
C=C(CO)CCN=c1[nH]c(CCl)nc(=N)[nH]1	1991476464	OEEHRQMTMFXHRL-UHFFFAOYSA-N	243.698	-0.205	50	10	BBGE	
O=CN1CCCN(C(=O)C=CC(=O)Cl)CC1	1991657368	KHZDNYNRUYVCLW-UHFFFAOYSA-N	244.678	-0.001	50	10	BBGE	
N=C(NO)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2Cl)CCO1	1991684485	DPRCXRICHFYQFK-ACZMJKKPSA-N	247.682	-0.203	50	10	BBGE	
C[C@]1(C(=O)NCC=CB(O)O)CCCCO1	1992636075	OFUIBBWUVZJFQA-SNVBAGLBSA-N	227.069	-0.370	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@@H]12	1993441105	UVKBKTJKKZWTKA-IYTQHBPKSA-N	242.662	-0.502	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C12CCC2	1993528381	JRYJKAXLROXIFJ-XHNCKOQMSA-N	227.308	-0.400	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccno1	1993842504	RHLMOOHTEQDKCN-UHFFFAOYSA-N	226.236	-0.726	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@@H](C)CCC(=O)NN	1997351280	KPOPDWKVVPLNLG-GUBZILKMSA-N	247.339	-0.791	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)CCC(=O)NN)no1	1997753082	VQSVWUOJZISLOZ-SSDOTTSWSA-N	241.295	-0.032	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866892	XIJDACMJKJGQRV-RCWTZXSCSA-N	240.351	-0.363	50	10	BBGE	
CCCCCCC(=O)N[C@H](CB(O)O)C(=O)O	1998132879	KPYFURWKWHUAFO-MRVPVSSYSA-N	245.084	-0.001	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C[C@@H]1C	2004921313	UPVPFGYQSYLPLU-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)[C@H](C)CO1	2004936092	UUPHDFPTSKXAHI-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CN(C)CCCOc1ncc(B(O)O)cc1F	2007021848	DXVWVZNOXDQMRI-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012641427	MNJLAUAZARIGIL-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012898482	RYOPZJROVBZIAE-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@H]1C1CC1	2014007045	NRCJXPLYDFGKMX-JGVFFNPUSA-N	249.261	-0.543	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1[C@@H]2COC[C@@H]12	2020067081	CRMVPLXRORRQMW-ZXFLCMHBSA-N	237.064	-0.904	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020068462	RNYMNCVRWRMHFJ-UJNFCWOMSA-N	239.080	-0.372	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](O)C1(C)C	2020206368	PCOCXBGYIQRRDU-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCCC[C@@H]1F	2020493799	MXVRCEYFTBHYLU-IUCAKERBSA-N	240.043	-0.184	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCCC12COC2	2020929701	PBJXAJZYGQHWJY-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
C=C(CN1CCn2c(CC)nnc2C1)B(O)O	2021158172	XWQXUVLIIYECBW-UHFFFAOYSA-N	236.084	-0.776	50	10	BBGE	
CN(C[C@@H]1C[C@@]12CCCOC2)C(=O)C(=O)NN	2021195137	PTXHDNQVRTYNCC-GZMMTYOYSA-N	241.291	-0.749	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@H](C)C(=O)NN)C2	2025607493	IFTZMCFORSVJAB-ZETCQYMHSA-N	235.291	-0.273	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@@H]3CCOC[C@H]32)c1	2032790671	UFVXEWUIWQPEIL-IJLUTSLNSA-N	249.075	-0.577	50	10	BBGE	
CC=CC(=O)N(N)[C@@H]1CCS(=O)(=O)C1	2052972613	DSCKSCRGBVYIEG-SSDOTTSWSA-N	218.278	-0.548	50	10	BBGE	
N#CC1(O)CCN(Cc2c[nH]ccc2=NN)CC1	2055491579	HBSAWTHPIDSFDM-UHFFFAOYSA-N	247.302	-0.360	50	10	BBGE	
CCc1c(B(O)O)cc(OC)cc1[N+](=O)[O-]	2060055493	WJSJTYBBRIYEGH-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
N#Cc1ccc(C(F)F)c(B(O)O)c1C=O	2060230933	VJEOFXJCNDANQB-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCc2cccc(B(O)O)c2)C1	2063789521	PTBKKJHXDFZFFA-JOCQHMNTSA-N	249.119	-0.024	50	10	BBGE	
C#C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	2079011784	JHFQUXICFJWYHC-LBPRGKRZSA-N	243.071	-0.492	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2CSC[C@H](C2)C1	2211692024	UAKIGRVNVABKQW-RNLVFQAGSA-N	243.332	-0.376	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@H]([C@@H]2C1)[C@@H](O)[C@@H]3O	2211719327	BGXYEZYCRFBPPT-IRMVWNIDSA-N	245.706	-0.329	50	10	BBGE	
NNC(=O)C1(CN2CC(CCO)C2)CCC1	2212266455	OKAAABXSEDZPND-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
CO[C@@H](C)CNc1nccc(B(O)O)c1F	2212603818	JCFNUBAKBDZFRN-LURJTMIESA-N	228.032	-0.653	50	10	BBGE	
CC[C@@H](O)CNc1cc(B(O)O)c(C)cn1	2212605507	GBEPHMQFOPIOMD-MRVPVSSYSA-N	224.069	-0.747	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cn2)CCOC1	2212612236	IRQMZTIKIIKLLY-JTQLQIEISA-N	222.053	-0.648	50	10	BBGE	
NNC(=O)C1(CN2CC=C(CO)CC2)CCC1	2216495394	NTZVXHDMWFBGRZ-UHFFFAOYSA-N	239.319	-0.229	50	10	BBGE	
Cc1cc(CNc2ncc(B(O)O)cn2)no1	2217173687	SRJIRFLAPWDNQN-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Nc1ncccc1B(O)O	2217177707	MKCIWCUFFNIIOT-NXEZZACHSA-N	235.096	-0.557	50	10	BBGE	
C[C@]1(O)CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217181916	WZRNLOZEAJMULY-ONGXEEELSA-N	236.080	-0.523	50	10	BBGE	
CNCCCCCOc1cc(B(O)O)ccn1	2217192452	XTIBNFCTIZMYTP-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
CC(C)[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217203610	XYWQMKGWNOEENV-WCBMZHEXSA-N	235.096	-0.718	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CO[C@H]2C[C@@H]1C2	2217204653	MMROYJSQJYTDAR-XKSSXDPKSA-N	234.064	-0.649	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCO1	2217204886	QEHVHCCGGJJAGJ-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCCCC(F)F	2217411186	QBDISUQCVAHRIS-UHFFFAOYSA-N	246.022	-0.642	50	10	BBGE	
CCN1CC[C@@H](OCc2ccccc2B(O)O)C1	2222584705	UGHPBVMCOVCSJO-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1Nc1cc(B(O)O)ccn1	2223626605	IMVQSGQKZBSMLQ-JQWIXIFHSA-N	249.123	-0.440	50	10	BBGE	
CC1(C#N)CCN(c2ncc(B(O)O)cn2)CC1	2223636616	LPMQJWJXHGJZOG-UHFFFAOYSA-N	246.079	-0.714	50	10	BBGE	
Cc1cnc(N2C[C@@H](O)C23CCC3)cc1B(O)O	2223642234	ZGXWGNCGOIVBCP-SNVBAGLBSA-N	248.091	-0.827	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccncc2)[nH]c1	2223668323	YIAIDJJITTUUTO-UHFFFAOYSA-N	243.075	-0.767	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@]23CCOC3)[nH]c1	2223670762	CFPCDSQOFVJFEC-CABZTGNLSA-N	248.091	-0.978	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)C1N	2223680136	ZBAUOSZJGZKLLJ-RKDXNWHRSA-N	249.123	-0.819	50	10	BBGE	
O=C(NCC1(O)CS(=O)(=O)C1)OCCl	2241502613	MSVLFUBBUJDGCM-UHFFFAOYSA-N	243.668	-0.932	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	2242105128	BHYNMNPQXBSCGA-RNJXMRFFSA-N	220.700	-0.348	50	10	BBGE	
C[C@@H](CCl)C(=O)n1c(O)cc(=O)n(C)c1=O	2243059159	OEHBUKSZXLVNIJ-YFKPBYRVSA-N	246.650	-0.232	50	10	BBGE	
O=C(NCCC1CC1)c1coc(B(O)O)c1	2243349851	RIGJKXRDBCIOHT-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(O)cc(F)c1	2243356552	JISLAEBLWKSRDM-UHFFFAOYSA-N	222.968	-0.515	50	10	BBGE	
Cc1nc(C(=O)NCCCF)c(B(O)O)s1	2243359287	QFHRBDHVKMNNPK-UHFFFAOYSA-N	246.072	-0.779	50	10	BBGE	
CC(C)CCOCCNC(=O)C#CB(O)O	2243362416	QQJKLJSKMSRNLT-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C=C[C@H]1C2	2243362676	UVZBNNHAHNRBJD-GUBZILKMSA-N	219.049	-0.670	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)c(F)c1	2243373898	AXJASDBLJMPNQG-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CC1)C(=O)C#CB(O)O	2243401430	QYHBPQTYBCPVTH-ZJUUUORDSA-N	221.065	-0.494	50	10	BBGE	
C[C@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243425644	AJSAESLUCAQGJP-NRPADANISA-N	227.069	-0.777	50	10	BBGE	
N#Cc1ccc(C(=O)NNCCO)cc1F	2244386036	FVMIMYKFCKHQQT-UHFFFAOYSA-N	223.207	-0.076	50	10	BBGE	
CNC[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245912995	KLRBPTBOMPMQLV-ZCFIWIBFSA-N	243.503	-0.565	50	10	BBGE	
C#CCC1CN(C(=O)c2cscc2B(O)O)C1	2247733064	LTVREGQKTYAOOO-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1ccoc1B(O)O	2247737898	LMXOZNJBVZJVGQ-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1C[C@@H]1F	2247752624	SMCMLHRLNBBRCE-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
CO[C@@](C)(CNC(=O)C1(B(O)O)CC1)C1CC1	2247756648	TUAJNAGRVPCLES-JTQLQIEISA-N	241.096	-0.075	50	10	BBGE	
C=CCCNC(=O)c1c(C)cccc1B(O)O	2247761956	YMYYXQQKXWSFPC-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1n[nH]cc1B(O)O	2247782143	QVENQKXPKVJDEK-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCNCC12CC2	2247792076	QRYDIPYVMUSZMI-DTORHVGOSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247807112	PYIQKFIEQLHQTM-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCNCC12CCC2	2247808556	LQEPNCNISRCYPO-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccoc1B(O)O	2247846115	AEVLPLXRVWOQAI-QMSLJYSESA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)CC(C)(C)CO1	2247846301	DHSGUYFQIPZYNB-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850716	RWDWPOOLBPLDLM-YUMQZZPRSA-N	236.080	-0.435	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247886381	BDVPHOIKEWRBSO-CSMHCCOUSA-N	241.052	-0.987	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CC(F)F)C1COC1	2247887470	OMPLJNANUVBNCG-RNFRBKRXSA-N	249.022	-0.658	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	2247893137	MVJHKOVBDNNGHQ-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898021	ZPFMXISUKFJCDY-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247910266	OAMPFCQIFNFHJD-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(C(=O)O)CCC1	2248588760	HVGVSKHQSVUPJS-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
CN(C[C@H]1CCCCN1)C(=O)[C@@H]1C[C@H]1B(O)O	2249159129	DGMRJKCASYMALG-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C(C)(F)F	2249418317	RTGGVSMHYVSXDP-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NCCC#CB(O)O)C1	2250008646	OSTRHMWHIZVGEJ-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
COCCN(C[C@H](C)O)[C@H](C(=O)NN)C(C)C	2250544556	CIELCFDHRQCRHJ-UWVGGRQHSA-N	247.339	-0.670	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CC2(C)C)n1	2255487395	OLTOBEKMMPBTHD-SECBINFHSA-N	248.091	-0.402	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H](C)[C@@H]2C)n1	2255492657	OIXQSWMZRKJKIX-CBAPKCEASA-N	248.091	-0.450	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1c[nH]nc1B(O)O	2255582517	HOVIQJZFZJTSFY-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2255681769	WYWXSGCDQUXAST-LALMQGGXSA-N	246.075	-0.921	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2CC2(C)C)c1B(O)O	2255687643	KMPMAJGQPFDYDK-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255689983	SYEZWNNTXKGWTR-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(CCCC2)C1	2255724327	DZUNOPOMXDRXIK-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255731485	GWUWPQNPDNIOQV-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1cccnc1	2255738463	SZYRBWRJAWUIAS-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
Cc1ccncc1NC(=O)c1cc(B(O)O)co1	2258129659	YARPTAKATDFOTB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC=CC(=O)NCc1ccc(B(O)O)c(OC)c1	2260830607	JJCSFTORTPAYTC-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
COC[C@@H](C)COC[C@@H]1CC[C@H](C(=O)NN)O1	2297867884	PUBRAWIRNMWECS-KXUCPTDWSA-N	246.307	-0.177	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298368456	FOLUUMCWPWFIDC-BECAKDQMSA-N	241.096	-0.219	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298369931	JJPLDXGLOGZLGF-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298376141	JRRRLLNUCWFRRC-OPRDCNLKSA-N	241.096	-0.267	50	10	BBGE	
CC(C)CN(C[C@@H](C)O)C(=O)[C@@H]1C[C@H]1B(O)O	2298651519	JYLZLKSGPLQKIU-OPRDCNLKSA-N	243.112	-0.285	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3OCC[C@H]3O2)C1	2303101635	LYRSFTACDFSETM-LMLFDSFASA-N	241.096	-0.519	50	10	BBGE	
CCN(CC(=O)NC)C[C@@](C)(CC)C(=O)NN	2303419461	ANHHSNJFIQLPON-LLVKDONJSA-N	244.339	-0.540	50	10	BBGE	
COC[C@@]1(CO)C=CCN1[C@@H](C)CC(=O)NN	2306857416	VTODNZMJHSBHRF-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O	2312614306	HIXBVLMBSVZZGG-HLFFCZDVSA-N	248.091	-0.667	50	10	BBGE	
N#CC1(F)CN(Cc2ccc(C(=O)NN)cn2)C1	2317320939	WODQXDMVKICQAK-UHFFFAOYSA-N	249.249	-0.267	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1[C@@H]2COC[C@@H]12	2319209201	BNVQAUYBBCDMOT-NXEZZACHSA-N	249.075	-0.659	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC(=O)N(C)C	37225691	HCTPHIMOCRYVDT-YFKPBYRVSA-N	235.671	-0.472	50	10	BBGE	
COCCCNC(=O)CNC(=O)CCl	41687984	CMODZFLLKMCVBF-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
CCCN1CCN([C@H](C)CC(=O)NN)CC1	82465991	LJDGDWIUWVFITA-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
Cc1nccn1Cc1cc(C(=O)NN)no1	82468396	GIPWARMNEVFUNP-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H](O)C1	82470433	WERQZKGAKWBLAF-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CC2)CC1	82470860	FBTXBTURFMECHA-QMMMGPOBSA-N	212.297	-0.855	50	10	BBGE	
C[C@H](CCN)SC[C@@H]1CC[C@H](C(=O)NN)O1	85341741	RFMIQRFGKDDBLJ-HRDYMLBCSA-N	247.364	-0.006	50	10	BBGE	
CC(C)(CCl)C(=O)N1CCOC[C@H]1C(N)=O	129328080	LBVAZZARGPRAKJ-ZETCQYMHSA-N	248.710	-0.036	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CC(C)(C)C(=O)NN)C1	166156030	VZGJHPWXQJCJQT-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
O=C(O)Cn1cc(NC(=O)CCCl)nn1	170310642	GHJRQYNPKBFTML-UHFFFAOYSA-N	232.627	-0.070	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)CO)CC1(Cl)Cl	180944199	DGNARGYQFMXUPJ-LURJTMIESA-N	241.074	-0.290	50	10	BBGE	
CCOCOCc1ccc(B(O)O)cc1	196712155	OVFJSGTYGFOVIR-UHFFFAOYSA-N	210.038	-0.123	50	10	BBGE	
N[C@H]1[C@@H](O)[C@@H](C(=O)O)C[C@H]1Br	199715974	IWDOFPCKEVVRHC-RSJOWCBRSA-N	224.054	-0.457	50	10	BBGE	
COP(=O)(OC)c1ccc(B(O)O)cc1	201321129	DQUPTRYDRQFSOK-UHFFFAOYSA-N	229.965	-0.522	50	10	BBGE	
COCCCOc1ccc(B(O)O)c(F)c1	203556438	ARYLWMCFHYELCF-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	234384273	ZGIRXIMJASOQSY-HLTSFMKQSA-N	244.339	-0.685	50	10	BBGE	
OB(O)c1cncc([C@@H]2CCCNC2)c1	238657284	ZGJIMSBGBMPCNA-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1C[C@H](C)O	306108640	SMSMOUJOACRKQO-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
O=S1(=O)NCCCN1C[C@H](O)CCl	306220988	SFZSLCGIFOZPJP-ZCFIWIBFSA-N	228.701	-0.874	50	10	BBGE	
OB(O)c1cnn(Cc2cccs2)c1	306983473	SWEVWQBQHGVKEJ-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@]1(CO)CCOC1	307167021	QKQHNNDTQWQCPW-SVRRBLITSA-N	207.657	-0.119	50	10	BBGE	
NNc1ccc(CBr)c(B(O)O)c1	307297380	UFNWUSIUKAMETN-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
CCCOc1cc(B(O)O)ccc1C(=O)O	309362650	MMMPHOYBZWWZOI-UHFFFAOYSA-N	224.021	-0.147	50	10	BBGE	
O=S(=O)(CCCCl)N[C@@H]1COC[C@@H]1O	323438408	CEOYLJZOMOAKJN-RQJHMYQMSA-N	243.712	-0.706	50	10	BBGE	
Cc1cnc(S[C@H](C)C(=O)NN)nc1O	389590293	LMPAYKNMHGFFGK-RXMQYKEDSA-N	228.277	-0.039	50	10	BBGE	
CC[C@@](O)(COC)C(C)=NNC(N)=O	394743806	JFJZQAAYTQTHIR-MRVPVSSYSA-N	203.242	-0.182	50	10	BBGE	
NNc1cccc(OC(F)F)c1B(O)O	396096767	HUDUNJABJYIFRX-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@H](O)C1CCCC1	396443841	BUBGQHXEKMYBMT-QWHCGFSZSA-N	249.119	-0.083	50	10	BBGE	
CSSCCN[C@H](CN)C(=O)O	397796653	UHKHSZLDZGVXOM-RXMQYKEDSA-N	210.324	-0.001	50	10	BBGE	
CNC(=O)CCS[C@@H](C)[C@@H](C)C(=O)NN	399215648	TZEZDSMIYUHXCA-RQJHMYQMSA-N	233.337	-0.130	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1cc(B(O)O)cs1	405009351	VLIKVBZNTBCCGQ-LURJTMIESA-N	243.093	-0.921	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2[C@H](C)CC(=O)NN	686193023	KDYHEJFXKKWWBT-RCZSTQMZSA-N	241.335	-0.011	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CCCC(=O)NN	687258231	ICHRXWDHTHJJPA-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ccnn1C	689552462	LSHDODIIAUJGSE-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
COC[C@H](CN(C)CC(C)(C)C(=O)NN)OC	691284506	CRCCITKHXPECEF-VIFPVBQESA-N	247.339	-0.404	50	10	BBGE	
OB(O)c1cnn(CCCN2CCCC2)c1	694510100	UIYMQSSRLVWAEP-UHFFFAOYSA-N	223.085	-0.951	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](C2CC2)C1	694829114	MACZOQNEYZELMB-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
N#CCSCC(=O)NNC(N)=S	700853131	SVWLNLLVYIPHCN-UHFFFAOYSA-N	204.280	-0.892	50	10	BBGE	
CNC(=O)C(C)(C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703475811	ZMEUIIMISQNPBS-BQBZGAKWSA-N	240.259	-0.573	50	10	BBGE	
CCOC[C@@H](CN)N1CCC(O)(C#N)CC1	704161470	WSBUSIVHQUNZGE-SNVBAGLBSA-N	227.308	-0.299	50	10	BBGE	
COCCOC1CN(CC(C)(C)C(=O)NN)C1	707347939	XLLRHYHONKEDSJ-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
O=S(=O)(NCCCl)c1cccnn1	711711116	HGRODUDSMCTPTF-UHFFFAOYSA-N	221.669	-0.006	50	10	BBGE	
COC(=O)C1(O)CN(CCBr)C1	714442373	VZGVHAZFGSHMKZ-UHFFFAOYSA-N	238.081	-0.399	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718163259	XXZJPSDEODRZKD-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
CN1C[C@H](CN2CCC(O)(C#N)CC2)CC1=O	722729748	BLTALLGRPPRBIE-SNVBAGLBSA-N	237.303	-0.185	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C	843654032	YTFLHRCMTZNWGA-YUMQZZPRSA-N	244.291	-0.016	50	10	BBGE	
CNC(=O)NN=C1CCCS(=O)(=O)CC1	853292760	XEUWEFIBALRDHC-UHFFFAOYSA-N	233.293	-0.130	50	10	BBGE	
CC[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CO1	863183446	ANRHVIQALQLZAT-QMMMGPOBSA-N	248.304	-0.298	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cnn(CC)n1	887149229	OHESARXOSZMFDS-UHFFFAOYSA-N	249.274	-0.138	50	10	BBGE	
CN(CCBr)C(=O)Cn1cnnn1	1142137544	RXMKBGKENXVJDZ-UHFFFAOYSA-N	248.084	-0.474	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1CCO1	1253550920	MVXAMPQGJHNVJY-LURJTMIESA-N	213.686	-0.067	50	10	BBGE	
CCO/C=C(/C#N)C(=O)Nc1nn[nH]n1	1293901474	VJSRAUSAVUFKJZ-PLNGDYQASA-N	208.181	-0.418	50	10	BBGE	
C[C@@H](C(=O)NN(C)C(N)=O)c1cnccn1	1466167507	IYRKJHSOGKNWTR-ZCFIWIBFSA-N	223.236	-0.378	50	10	BBGE	
COCCC(=O)NCCSS(C)(=O)=O	1471449178	SKWQYBHAVGGMNX-UHFFFAOYSA-N	241.334	-0.168	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	1533767100	VSXHFOUSCKGYKW-RNFRBKRXSA-N	231.215	-0.603	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)c1cccc(Cl)n1	1584605757	YPVBOYDQSZGYTO-YFKPBYRVSA-N	243.650	-0.123	50	10	BBGE	
O=C(CO)NNC(=S)Nc1ccccn1	1644020061	HFKUJSMVVRDPBI-UHFFFAOYSA-N	226.261	-0.609	50	10	BBGE	
N[C@@H](CCO)C(=O)NC1CC(Cl)C1	1883256728	YIWYBWAXXYLVEY-AHXFUIDQSA-N	206.673	-0.418	50	10	BBGE	
C[C@@H](CCO[C@H](C)C(=O)NN)N(C)C	1884886672	HCNDONKMVGQRSU-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@@H](O)CN1CC=CCCl	1900163908	AEVIVZIYPYMZIQ-VGMNWLOBSA-N	221.684	-0.820	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@@H]2F)cc1B(O)O	1901237077	DYZZLYDQMKYSAF-UWVGGRQHSA-N	223.012	-0.299	50	10	BBGE	
OB(O)c1cc(N2CC3CC2C3)ncc1F	1903005776	KVBQSYGWOUMWGD-UHFFFAOYSA-N	222.028	-0.501	50	10	BBGE	
C[C@H](CCN)Oc1cc(B(O)O)c(F)cn1	1903026588	YWKBUTJDGQKDSH-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1cccc(B(O)O)c1=O	1907910309	KLWNMTFYPPNJPT-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCO[C@H]1C	1909982594	HOLNJNWIBYUMTJ-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
N#CCNC(=O)C(=O)N1CC=C(C#N)CC1	1917041826	SCUNDQGMCKFRLR-UHFFFAOYSA-N	218.216	-0.692	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ncc(B(O)O)s1	1924098535	NNEKCVQJSDLDSA-RXMQYKEDSA-N	244.081	-0.814	50	10	BBGE	
CC[C@@H](C)CN(C)CCOCC(=O)NN	1928182641	DFCYAHMRNPAUCH-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
CC1(C)[C@@H]2CC(NC(=O)C(=O)NN)C[C@H]21	1930226374	OXAOZZOEDRUMEI-RNFRBKRXSA-N	211.265	-0.473	50	10	BBGE	
NNC(=O)CCCN1CCOC(F)(F)C1	1932126179	HVGPHKUHTARZTL-UHFFFAOYSA-N	223.223	-0.319	50	10	BBGE	
C[C@H]1CCO[C@@H]1CC(=O)NNC(N)=O	1935365228	OGHNHZGXVJHLER-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
C[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936085274	PZUDITYXXQKIAH-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
CN(C)CC[C@H](NC(=O)NN(C)C)C(=O)O	1936190616	ZVEFDXKWIHZISC-ZETCQYMHSA-N	232.284	-0.833	50	10	BBGE	
Cn1cc[nH]c(=NC[C@@H]2COC[C@H]2Cl)c1=O	1939173403	RQHOHYSEBIBGHY-HTQZYQBOSA-N	243.694	-0.132	50	10	BBGE	
CN(Cc1ncccn1)C[C@H]1C[C@H]1C(=O)NN	1941084937	ARKJFBIRDMWBNA-RKDXNWHRSA-N	235.291	-0.466	50	10	BBGE	
NNC(=O)c1coc(CN2CC(CCO)C2)c1	1946933427	DCVFYUXLISQYLN-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
COC(=O)c1ncccc1[C@H](N)[C@@H](O)C#N	1953032339	YQYOKVQMIVLGET-YUMQZZPRSA-N	221.216	-0.248	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCNS(C)(=O)=O	1955560093	WSJHQXOHFWQRKF-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@]12CC2(F)F	1956907075	WMXLFQOMZXNMFL-XINAWCOVSA-N	204.969	-0.840	50	10	BBGE	
CCN(CC)[S@@](C)(=O)=N[C@H](C)C(=O)NN	1960616713	FUEWYEMZUXWIRK-MLXNANBUSA-N	236.341	-0.281	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@H]21	1961696910	TTYISWBMVVNGMK-OIBJUYFYSA-N	204.038	-0.640	50	10	BBGE	
CC(=O)NNC(=O)Cn1nc(C)c(C)c1C	1963663960	LPMLMUHLCAXZGD-UHFFFAOYSA-N	224.264	-0.024	50	10	BBGE	
CP(C)(=O)[C@@H]1CC[C@@H](NC(=O)C(=O)NN)C1	1976873053	WQXVXNSRRVXUKM-RNFRBKRXSA-N	247.235	-0.364	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)[C@@H](C)C1)C(=O)NN	1978945600	UXQUZDHPZVPSGS-AEJSXWLSSA-N	229.324	-0.437	50	10	BBGE	
CN(C[C@@H]1CC(C)(C)CO1)C(=O)C(=O)NN	1979310043	MEUDQSMWCUPQRH-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ncncc1B(O)O)C2	1981413351	FSVMVOSRKFSBTA-XVKPBYJWSA-N	219.053	-0.997	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1-n1cccn1	1982397751	KJHMWWDFNXDTFI-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
CO[C@H](C)COCc1nc(C(=O)NN)co1	1986049499	SKJMWNDXJZJNPZ-ZCFIWIBFSA-N	229.236	-0.170	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)C[C@@H]2COCCN12	1986929305	LXVRHWKAUQJIAQ-RKDXNWHRSA-N	248.710	-0.871	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	1988837157	LQNPWEWRDTZCND-AZQAYCESSA-N	231.271	-0.698	50	10	BBGE	
COC[C@H]1CCN(C[C@H](C)C(=O)NN)C1=O	1990100583	SRKKNCMEKHNATO-JGVFFNPUSA-N	229.280	-0.893	50	10	BBGE	
C[C@@]12CC[C@@](CO)(C1)N(CCC(=O)NN)C2	1992738289	BXAOWBARDCQDSO-MNOVXSKESA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1[C@H]1CCCN1C	2004364544	JHPLMDGDBFSYCT-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(c2ncc(B(O)O)cn2)C1	2004912478	UGXSSXSHRXGTIA-DTORHVGOSA-N	235.096	-0.361	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(CC3)CO2)n1	2004970414	BDWLOCCPKCQFLP-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
OB(O)c1cncnc1-n1ccc(C2CC2)n1	2005007572	JIXUDGHNVRTLFT-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
CN(C1CC1)C1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2005176494	FGRUCQKGUAKKGG-KWQFWETISA-N	238.335	-0.609	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CCCCO1	2008841069	VOCNRKRDTDCIQD-SECBINFHSA-N	237.064	-0.903	50	10	BBGE	
COC(=O)NC[C@H]1CCN1[C@H](C)CC(=O)NN	2014046464	UYAHRUOSMMJVLQ-HTQZYQBOSA-N	244.295	-0.815	50	10	BBGE	
CN(C)NC(=O)N1CC2(CC[C@@H](C(=O)O)O2)C1	2025156644	PXTQBKNPPBKNHO-ZETCQYMHSA-N	243.263	-0.509	50	10	BBGE	
CC(C)C1(C(=O)Nc2ncc(B(O)O)cn2)CC1	2040766363	CPCFXBSVJBRJMR-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
COC1(C(=O)Nc2cc(C)ccc2B(O)O)CC1	2047744307	AHUZZYPLQVIGQC-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOc2ncccc21	2051510405	BEYHLYGHCYHIJX-BDAKNGLRSA-N	248.286	-0.094	50	10	BBGE	
CN(Cc1cccn1C)c1ccncc1B(O)O	2052506467	IMXIKHWZMLRWQJ-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2c1ncccc1B(O)O	2058061472	XFZOAWZAZYYXFF-JMJZKYOTSA-N	248.091	-0.625	50	10	BBGE	
CCc1cc(OC)c(C#N)cc1B(O)O	2060264580	BKFWSKSYZSQREP-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2079009408	RLLHUXBSANTOPW-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1ccccc1B(O)O	2079010180	XOZFSMCUKYWLGE-VIFPVBQESA-N	246.075	-0.402	50	10	BBGE	
Cn1ncc(COCc2ccccc2B(O)O)n1	2080319181	OHWVEVZCZVMSKA-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
OCCCSc1cc(B(O)O)ccn1	2210065196	MPCZXRCNUCFMSO-UHFFFAOYSA-N	213.067	-0.764	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2210731784	SSZNUOANYFACCL-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838396	HBVPQCZTSSRKBN-NXEZZACHSA-N	227.308	-0.419	50	10	BBGE	
CCCC=CCN=c1cc(B(O)O)cc[nH]1	2212601309	MKTIHJVQCCMCGC-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1cc(B(O)O)ccn1	2212614411	CSQANQNGKPZFIN-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1cccnc1OCC[C@@H]1CCCN1	2217183789	OCJYOBKPVGVMRK-VIFPVBQESA-N	236.080	-0.718	50	10	BBGE	
C[C@H]1[C@@H](Nc2nccc(B(O)O)c2F)C1(F)F	2217184556	QADOMLDKZJUQFT-MHTLYPKNSA-N	245.997	-0.034	50	10	BBGE	
CO[C@H](CNc1ncccc1B(O)O)C(C)C	2217185335	VPFXTXWZIQAILF-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)c(C)cn1)[C@@H](C)O	2217185378	WEVZOJLIHXHPRL-PSASIEDQSA-N	238.096	-0.359	50	10	BBGE	
CCOC[C@H](C)Oc1nccc(B(O)O)c1F	2217193910	YJHOSISDZHDYLD-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
CCC(CC)(CN)Nc1cc(B(O)O)ccn1	2217198822	GWLZTPRJVIJZGH-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
OC[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2217202270	VYXFSIFPZDPXCY-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
Cc1cnc(NC[C@]23CNC[C@@H]2C3)cc1B(O)O	2223652264	HNJLDTRTUQBZTA-CABZTGNLSA-N	247.107	-0.909	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccccc2)[nH]c1	2223668262	XYXZXIUHMLDKGE-UHFFFAOYSA-N	242.087	-0.162	50	10	BBGE	
COC[C@@H](OCCOC(F)(F)F)C(=O)NN	2242781135	FGHQPVIUQBXGFR-RXMQYKEDSA-N	246.185	-0.456	50	10	BBGE	
C[C@]12CCCC[C@@H]1CN2C(=O)C#CB(O)O	2243356102	BIHWVZIYEASPGW-KOLCDFICSA-N	221.065	-0.207	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](C(F)F)C1	2243356115	BMPNRTRHZRVLDR-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
C=C1CCN(C(=O)c2csc(B(O)O)c2)C1	2243356639	LBZZXHHJIVNFCW-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
COCCCNC(=O)c1ccsc1B(O)O	2243359096	ORPGAZRZFINKKR-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
CSC[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243361409	AWSUGXVWQSSNDU-LURJTMIESA-N	242.109	-0.824	50	10	BBGE	
CC(C)[C@H]1CCC[C@@H]1NC(=O)C#CB(O)O	2243362774	WHCDJTKASPWUKM-ZJUUUORDSA-N	223.081	-0.057	50	10	BBGE	
C=CCCNC(=O)c1c(C)nsc1B(O)O	2243385790	OKLSSGFTEAJJQH-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](C1)O2	2243390973	DVPKMNCJSNXDHL-WZENYGAOSA-N	225.053	-0.761	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396492	MZCKOLONBXUNMN-OYNCUSHFSA-N	227.069	-0.777	50	10	BBGE	
C[C@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2243411766	ZRUNFNJGTFPSIW-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
Cc1csc(C(=O)N[C@H]2C[C@H]2C)c1B(O)O	2243415360	SRWXIEAJSNKKES-VDTYLAMSSA-N	239.105	-0.125	50	10	BBGE	
C=CCC(=O)NCc1cccc(B(O)O)c1	2243684729	FZCPYROYJUVHCW-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
O=C(O)CCN(O)C(=O)C1(B(O)O)CCC1	2243758095	AANIJNBAOOKZIS-UHFFFAOYSA-N	231.013	-0.924	50	10	BBGE	
CC[S@](=O)NCc1ccc(B(O)O)cc1F	2243961332	AFZHSPBHULAYGL-INIZCTEOSA-N	245.084	-0.721	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCc1noc(C(N)=O)n1	2244163725	NYPJIAIKUSAVFR-SCSAIBSYSA-N	246.654	-0.198	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(P(C)(C)=O)C1	2244280114	WCJVXVZCBXPVPA-MRVPVSSYSA-N	249.251	-0.702	50	10	BBGE	
Cn1cc([C@@](C)(N)B(O)O)c(C(F)(F)F)n1	2244396128	FKMDQJSSUYUOGE-ZCFIWIBFSA-N	236.990	-0.375	50	10	BBGE	
CC(C)C1(OCCOCC(=O)NN)COC1	2245003059	JAQCESZUFLCPSF-UHFFFAOYSA-N	232.280	-0.566	50	10	BBGE	
COC[C@@H](OC1(C(C)C)COC1)C(=O)NN	2245016844	RUKPMLQZMCPWBT-MRVPVSSYSA-N	232.280	-0.567	50	10	BBGE	
OB(O)c1cccc(F)c1COC1COC1	2245271086	ISXMZFMKPYVSDW-UHFFFAOYSA-N	226.012	-0.579	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247724546	ZOQSKNPFWSDBLM-GZMMTYOYSA-N	237.064	-0.122	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)C#CB(O)O)CC1	2247747711	RIMUCQQEWXPDSP-NSHDSACASA-N	239.080	-0.581	50	10	BBGE	
NC1CC(CCNC(=O)C2(B(O)O)CCC2)C1	2247751339	WJUUHZGZIUCVEE-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCNC1	2247754662	FFBOWEHQADJJOO-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1CN	2247786280	YOAAANHXWDGJIZ-AATLWQCWSA-N	240.112	-0.707	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@](F)(CO)C1	2247786624	DFNAGSPAPIWSIP-KHQFGBGNSA-N	245.059	-0.828	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787429	OZRWUGWLXMTKLL-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2CCO[C@@H]2C1	2247789698	ADAXXWYANJSKSC-QCLAVDOMSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1Cc2nc[nH]c2C1	2247790310	GSGYFFQGGVEFTO-KNVOCYPGSA-N	235.052	-0.495	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)N1C	2247800178	LZDLHGJKHKFZOV-RGOKHQFPSA-N	240.112	-0.600	50	10	BBGE	
CC1(C)[C@H](CN)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247803418	BABLEBQNRLGXAT-XHNCKOQMSA-N	240.112	-0.565	50	10	BBGE	
CN(C)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247806143	MFTVXFDGRKEVFM-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)CN1	2247807965	SKSUOZZGGUFXGN-AUXWQGHOSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247810057	UHSNUSPMFRKQMD-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247848479	MKEFQMVJKMUVRD-UHFFFAOYSA-N	246.022	-0.532	50	10	BBGE	
CC(C)(CCF)NC(=O)c1ccc(B(O)O)o1	2247849109	VMWIIUCPVNJARU-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccc(B(O)O)cn2)[C@H]1C	2247853681	PWJXEJJXYSWXPH-BQBZGAKWSA-N	234.064	-0.854	50	10	BBGE	
O=C(NC1(CO)CCCC1)C1CC(B(O)O)C1	2247854859	JIPBGBIPLPFTJJ-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
O=C(N1CC[C@@H](C2CNC2)C1)C1(B(O)O)CC1	2247856121	DQBKCYSQZCSFCN-MRVPVSSYSA-N	238.096	-0.939	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCCC#N	2247874116	JCHRRSOUAJRWNK-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
CC(C)CN(CCN)C(=O)C1(B(O)O)CCC1	2247877442	HDDRTEKGVJEWRX-UHFFFAOYSA-N	242.128	-0.173	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@@H]1CO	2247895698	VBJHVBNWDPIFAN-WYCDGMCDSA-N	239.080	-0.921	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247896893	LTXPSJFVGBHHAC-FXPVBKGRSA-N	242.128	-0.175	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1O	2247982503	MJTYYBVYNXIYAY-SSDOTTSWSA-N	235.048	-0.694	50	10	BBGE	
CC(C)=CC(=O)Nc1ncc(B(O)O)c(C)n1	2248414753	OUZAQLHWNTVZIQ-UHFFFAOYSA-N	235.052	-0.630	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)N1CCC(B(O)O)CC1	2249378284	MJSIQBLFXZYNID-SECBINFHSA-N	242.128	-0.162	50	10	BBGE	
CN1CCOC[C@H]1CN1CCC(B(O)O)CC1	2249379564	XJVFWDJQEUBZIV-LLVKDONJSA-N	242.128	-0.744	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1cocc1B(O)O	2249418153	PQLWRIQKOSQHHK-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
N#CC1(NC(=O)c2cc(B(O)O)co2)CCC1	2249430344	MTLVMEKBCDJSOL-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)C1(B(O)O)CC1	2253353163	FQBOWVCGKSFNAF-LURJTMIESA-N	248.038	-0.812	50	10	BBGE	
Cc1ncccc1NC(=O)c1coc(B(O)O)c1	2255456710	RTLCRNBTHMIKTA-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccnc(NC(=O)c2cc(B(O)O)c[nH]2)n1	2255477213	WNTIOGGTKGURCS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C=CCCC1	2255507931	GIIJVJRDWNJYBH-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
Cc1cccc(C(=O)NC[C@@H](C)C#N)c1B(O)O	2255509664	NSMFIKPVMJAJNL-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1C[C@@H]2C[C@H]2C1	2255513128	LTPWPCFOYHAMSK-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
C[C@H](c1ccccc1O)N(C)C(=O)C#CB(O)O	2255672169	BVAWSTTUCBTUKU-SECBINFHSA-N	247.059	-0.073	50	10	BBGE	
N#CC1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2255726690	GLJPTZVRSSSMFC-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1[C@H]2CCC[C@H]12	2255735333	RHTIIPBOGBSDDP-IUCAKERBSA-N	248.091	-0.767	50	10	BBGE	
O=C(N[C@@H]1C=CCCCC1)c1n[nH]cc1B(O)O	2255764216	YGOCVMNEHPRNIQ-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ncc(B(O)O)cn1	2255774698	JHZHXSKKVZACJF-NSHDSACASA-N	249.079	-0.829	50	10	BBGE	
C=CCCCN(C)C(=O)c1ncc(B(O)O)cn1	2255776886	WRRAIJVBPIMXOB-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255953254	GFURMLYDWXPHSI-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1O	2256014112	LEDLHHDXBPRSMR-MRVPVSSYSA-N	249.075	-0.304	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)co1	2258128905	RIGPQZUNIOEKEI-VXNVDRBHSA-N	248.047	-0.619	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2C[C@H]1CC2(F)F	2298367350	BPBZUFYHELFYLO-FXQIFTODSA-N	243.018	-0.448	50	10	BBGE	
CC(C)(N)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371553	OOOJUBOCFFDMNO-DJLDLDEBSA-N	240.112	-0.565	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC([N+](=O)[O-])C1	2300400390	RVKMDCUXSDOPQT-CBAPKCEASA-N	242.279	-0.647	50	10	BBGE	
CO[C@H]1C[C@H](O[C@@H](C)CC(=O)NN)C[C@H]1OC	2300920157	CZEDHABSTXCEHV-AATLWQCWSA-N	246.307	-0.036	50	10	BBGE	
C[C@H](COn1nnc2ccccc21)C(=O)NN	2301606327	VEEURAQVLNYCHV-SSDOTTSWSA-N	235.247	-0.514	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)cc(C)c1O	2302242231	ZXYQKZOUBBEJDJ-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
CO[C@H]1C[C@H](N2CC[C@H](B(O)O)C2)C[C@H]1OC	2303097438	BBKZULSDCVNDRN-XWLWVQCSSA-N	243.112	-0.273	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC[C@H]2CCNC2=O)C1	2303157224	ZXQGUSBYAJJYHN-MWLCHTKSSA-N	240.112	-0.549	50	10	BBGE	
CC[C@](C)(CN(C)C[C@@H](O)COC)C(=O)NN	2303420439	WOWMWHXQDXYLFX-MWLCHTKSSA-N	247.339	-0.668	50	10	BBGE	
CN1CC[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303836856	SCWFPRBZGAHVDG-ZETCQYMHSA-N	239.059	-0.984	50	10	BBGE	
Cc1cc2c(=O)n([C@H](C)CC(=O)NN)ccn2n1	2308073113	YZFSSFRQRZEYCO-MRVPVSSYSA-N	249.274	-0.255	50	10	BBGE	
C[C@@H](CO)CN(C)c1ccc(B(O)O)cc1C#N	2317151196	NZBUKIRKEHXNJA-SECBINFHSA-N	248.091	-0.697	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@H]3CC[C@H]2NC3)nc1	2325307312	ATWQFDRBZLVJOJ-IEBDPFPHSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CCN(CC(N)=O)CC1	37012390	NWQGNWDSHNUXFF-SSDOTTSWSA-N	247.726	-0.320	50	10	BBGE	
CS(=O)(=O)N1CCN(CCCl)CC1	59217978	JGFJPCAOSUBCNL-UHFFFAOYSA-N	226.729	-0.198	50	10	BBGE	
CNCCN(C)Cc1cc(C(=O)NN)c(C)o1	70303782	ZCAYARHYWFKFDQ-UHFFFAOYSA-N	240.307	-0.157	50	10	BBGE	
NNC(=O)c1cc(C(F)(F)F)nnc1O	77060161	QBSFNTZCOAIOBY-UHFFFAOYSA-N	222.126	-0.196	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@H](C)C(=O)NN	82469888	UMNHILPNQPMNNB-QMMMGPOBSA-N	230.312	-0.944	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCCNC(=O)C1	83748187	IPNMEBKPFREKKD-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@H](C1)O2	85541980	YCWZNONWPPXJAK-DTORHVGOSA-N	213.281	-0.380	50	10	BBGE	
CNC(=O)c1ccn([C@H](C)[C@H](C)C(=O)NN)n1	93072486	DXKFSJUEECESKC-NKWVEPMBSA-N	239.279	-0.570	50	10	BBGE	
COCC(=O)NNC(=O)c1scnc1C	104634513	KZEFOTNOYZWDNM-UHFFFAOYSA-N	229.261	-0.141	50	10	BBGE	
NNC(=O)Cn1c2c(ccc1=O)C(=O)CCC2	160939393	NCNLVVJSDPDHME-UHFFFAOYSA-N	235.243	-0.643	50	10	BBGE	
O=c1n(C[C@H](O)CCl)nc2cnccn12	163075456	LCCXZBKKYRMKCN-ZCFIWIBFSA-N	228.639	-0.509	50	10	BBGE	
CCCN1CCN(C[C@@H](O)CCl)C(=O)C1=O	166586325	RJBSNWWWNFTWSG-QMMMGPOBSA-N	248.710	-0.333	50	10	BBGE	
CC(C)(C)NC(=O)CNC(=O)NC(=O)CCl	168524042	WZTRROPGTCULMR-UHFFFAOYSA-N	249.698	-0.034	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)CSC	186119781	RMUKKKWISSHKKL-ZCFIWIBFSA-N	215.278	-0.299	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2ncccn2)c1	229340276	BOQSYSAGXWPQCN-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1noc(CCN2CC(=O)OC(=O)C2)n1	231912025	YLPUQXPMCBSUAN-UHFFFAOYSA-N	225.204	-0.694	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)N(C)[C@@H](C)C1	232420819	AQDFDFUVEIHAKP-LPEHRKFASA-N	244.339	-0.984	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1CN(C)C)C(=O)NN	251095616	LGRPUFWLVFTYPO-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CNNC(=O)Cc1ccc2c(c1)oc(=O)n2C	258986937	KONXSTUTNNTAOY-UHFFFAOYSA-N	235.243	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	307116647	ZBVTZYSXGOTKHC-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
OB(O)c1cc(O)cc2c(O)csc12	307460124	HGFGLVSMKASXFF-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COc1cc(N2CCOCC2)ccc1B(O)O	310117111	AEMHIOFUSFCLEJ-UHFFFAOYSA-N	237.064	-0.788	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC2(CCC2)C1	380356101	VYWTWJXSNPIVSL-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
N#Cc1ccc(C2CCNCC2)cc1B(O)O	382642102	PNGXHVIPIPBARE-UHFFFAOYSA-N	230.076	-0.295	50	10	BBGE	
C[C@H](CO)N(C)Cc1nc(C(=O)NN)co1	386681970	QLEDFKIPWQCTRX-ZCFIWIBFSA-N	228.252	-0.909	50	10	BBGE	
O=Cc1ccc2c(B(O)O)csc2c1CO	396346569	ZLXSNPCIAXJQOM-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C1CN(CCOC(F)(F)F)CC(=O)O1	398175166	CPNWBMVZBILLBI-UHFFFAOYSA-N	227.138	-0.092	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398867364	XUJYAIPTUHSEEP-QMMMGPOBSA-N	212.297	-0.998	50	10	BBGE	
C[C@@H]1COCCN([C@@H](C)CC(=O)NN)C1	399637221	FUCZSCQJFPYCCN-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@]1(CO)CCCN(CCC(=O)NN)C1	688022263	BJUDURQJWUWEHM-SNVBAGLBSA-N	215.297	-0.539	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C(=O)NC(=O)CCl)C1	690803035	FRMRFPFOXPIHEW-RXMQYKEDSA-N	248.670	-0.796	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCCNC2)CC1	692122521	BHTWGHICSFWGDO-SNVBAGLBSA-N	237.303	-0.137	50	10	BBGE	
COC1(Cn2ccc(B(O)O)n2)CCCCC1	694276067	LLIWGBSJNNBIAY-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
Cc1nc(O)nc(C)c1CC(=O)NNC(N)=O	700868927	NCYWVWMYBQVUGO-UHFFFAOYSA-N	239.235	-0.959	50	10	BBGE	
C[C@H](CCO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703421032	AEJBHXNLNJKZMK-CSMHCCOUSA-N	213.233	-0.326	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2CC2(F)F)n1	703686482	HBKRXOHDSSXPTE-LURJTMIESA-N	215.996	-0.392	50	10	BBGE	
CN(CC(=O)NN)CC12CCCN(CCC1)C2	705183275	CAXZGQXVXLTNPW-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CCOC[C@@H]1O	706782219	DEKKJVMKQBGRPR-KDXUFGMBSA-N	241.243	-0.947	50	10	BBGE	
CNC(=O)N1Cc2ccc(B(O)O)cc2C1	707999339	AMXONDKNUZIMBT-UHFFFAOYSA-N	220.037	-0.979	50	10	BBGE	
CN(CC(=O)NN)CC12CCN(CC1)C2	715565834	VGVPLSLDQDCUPY-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
CCC[C@](C)(O)C(=O)NNC(=O)c1cnn[nH]1	770953938	VTNAZEITJJOEAP-VIFPVBQESA-N	241.251	-0.883	50	10	BBGE	
Cn1nncc1C(=O)NNC(=O)c1ccoc1	798938823	AIHUKVCGZSXPQB-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
CCN1CC(CN(C)[C@H](C)[C@H](C)C(=O)NN)C1	822037734	VTCJIYWRPVOEFE-VHSXEESVSA-N	242.367	-0.116	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H](C)CO1	900386229	NQLSJJBLXAQBPH-BQBZGAKWSA-N	215.253	-0.238	50	10	BBGE	
CCC/C=C/[C@H](O)C(=O)NN(C)C(N)=O	901279476	RMAFQVBCWFNQBM-XPPMVYLVSA-N	215.253	-0.255	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cc(B(O)O)ccc1F	914165496	FPIVRUWIXNGREV-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
O=C1NC(=O)N(CC[C@@H]2CO2)C[C@@H]1Cl	953055246	IBGKUWYYNIHYQJ-RITPCOANSA-N	218.640	-0.066	50	10	BBGE	
Cn1cc(CCC(=O)NNC(=O)C2CC2)nn1	1118605269	HVWAACDAIJUIDP-UHFFFAOYSA-N	237.263	-0.695	50	10	BBGE	
C=CCONC(=O)NNc1nnc(C)n1C	1330894299	LPFCPWDFVPUWES-UHFFFAOYSA-N	226.240	-0.133	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1ncon1	1536937062	BADPVTRXSXVMQG-UHFFFAOYSA-N	237.175	-0.939	50	10	BBGE	
Cc1nc(C)c(C(=O)NNC(=O)C(C)(C)O)[nH]1	1556228292	JFJNWHNPNZIERA-UHFFFAOYSA-N	240.263	-0.442	50	10	BBGE	
O=C([C@@H]1C[C@H]1Br)N1C[C@@H](O)CO1	1877336576	NLAYHWHWXJVWLD-HSUXUTPPSA-N	236.065	-0.096	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)C[C@H](O)C1	1882571633	CLHLDVAZTPVLOT-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
C=C(CN1CCCSCC1)B(O)O	1883732491	GFPMNBFOBYXRQY-UHFFFAOYSA-N	201.100	-0.007	50	10	BBGE	
CC[C@@H](CCl)NC(=O)Cn1cnnn1	1884669784	JPNROUAWTLSYSL-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H](F)C1	1887273819	PWNASVQJVDWPEA-ZETCQYMHSA-N	205.233	-0.963	50	10	BBGE	
O=[N+]([O-])c1cccc(B(O)O)c1Cl	1888373786	DQYXEXDSKROYJG-UHFFFAOYSA-N	201.374	-0.072	50	10	BBGE	
Cc1ccn([C@H](C)CC(=O)NN)c(=O)n1	1893837666	HAPUFXJGAQPOIH-SSDOTTSWSA-N	210.237	-0.507	50	10	BBGE	
C[C@@H](OC1CCN(C)CC1)C(=O)NN	1894991320	JTSGAGDHCZUGGH-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1C[C@H]1CS(=O)(=O)N1CC[C@@H](B(O)O)C1	1902514803	YDYNUNMNFOTDCV-HRDYMLBCSA-N	247.125	-0.479	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@H]2F)[nH]cc1F	1903006871	ZDTUCZQRRVYISF-CAHLUQPWSA-N	228.007	-0.908	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1917455274	BLTZPBLWXZGBPV-VRGHQRLXSA-N	223.276	-0.615	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1927913513	JYDFBXMDIFOGOR-BWZBUEFSSA-N	211.265	-0.519	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]21	1928993727	HEUURLCNTMAYQW-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C[C@@H]1C	1929939083	LVEKBZRWLZMNSA-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)CC1(C)C	1930243405	IZTDEAFBFFBWDT-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCCO2)O1	1937124143	KVLQZBVRDTZUNM-DTWKUNHWSA-N	229.280	-0.449	50	10	BBGE	
OB(O)c1ccc(CN2CCCO2)c(F)c1	1937140086	ZLAIIEXYIKFAGU-UHFFFAOYSA-N	225.028	-0.357	50	10	BBGE	
Cc1cccc(C)c1CNC(=O)C(=O)NN	1938258901	HLQVSDXFYQLYLX-UHFFFAOYSA-N	221.260	-0.090	50	10	BBGE	
CC(C)CN(CCO)[C@@H](C(=O)NN)C(C)C	1939257299	HMYITPYVUOJMGO-SNVBAGLBSA-N	231.340	-0.049	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1939641255	MNMKSISFCOCGLF-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1CCO[C@H]1CCN(C)C(=O)C(=O)NN	1940003432	PXKVTPSKBPOVQZ-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941082142	FJMCWIWGIRVXIX-MMWGEVLESA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(n2cccn2)C1	1941085607	MXDIBFMPZLUSDS-PSASIEDQSA-N	235.291	-0.634	50	10	BBGE	
CN1CC[C@H](CN(C)C[C@H]2C[C@H]2C(=O)NN)C1	1941086475	IUPYOHBZJYSYIT-HBNTYKKESA-N	240.351	-0.504	50	10	BBGE	
CN(CC1CCOCC1)C[C@@H]1C[C@H]1C(=O)NN	1941095436	XFOIGUDYMWOHQK-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
CN1CCCC12CCN(CCC(=O)NN)CC2	1941643560	PMBAAOAPTLZCKS-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CO[C@H]1COC[C@@H]1Oc1cccc(B(O)O)c1	1942933767	GZILXDXHSGXHKT-QWRGUYRKSA-N	238.048	-0.841	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CNC[C@H](O)C2)CC1	1949631797	REVIUWKUMKMNER-GHMZBOCLSA-N	235.287	-0.361	50	10	BBGE	
O=C(CBr)NCCOCCCO	1953508329	KCAGXTLWFWELRS-UHFFFAOYSA-N	240.097	-0.104	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	1957686905	QUVRYFSNVLJVBS-RERUZZKTSA-N	209.293	-0.049	50	10	BBGE	
CCN1CCN(CCC(=O)NN)[C@@H](C)C1	1959006259	QPAJFICFDFOERM-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)[C@H]1C	1961681576	UZCMABUJIOLYIY-BQBZGAKWSA-N	207.042	-0.999	50	10	BBGE	
O=C(NCC#CCCl)[C@@H]1CCS(=O)(=O)C1	1974769909	CBVVNYWWNVDXKJ-MRVPVSSYSA-N	249.719	-0.221	50	10	BBGE	
C[C@H](CCN1CCOC1=O)NC(=O)NN	1975241539	SESDCAKPSLIETR-ZCFIWIBFSA-N	216.241	-0.610	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H](C)C1CC1	1978614700	PKFHGWNEZVKMIG-PSASIEDQSA-N	229.324	-0.031	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@H]2C[C@H]21	1980229515	SZIFIQGIKVXKMT-BDAKNGLRSA-N	226.324	-0.609	50	10	BBGE	
CC1(C)C[C@H](O)CCN1CCCC(=O)NN	1980723465	SUTUNBMMOKPVBI-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	1981413889	LRTZBPPXRCEQCN-LDYMZIIASA-N	218.065	-0.392	50	10	BBGE	
C[C@H](CC1CC1)Oc1ncncc1B(O)O	1981423305	BTJDWMTULHXIAY-SSDOTTSWSA-N	222.053	-0.276	50	10	BBGE	
CCOCCOc1ncc(Cl)cc1B(O)O	1981423473	DUTKRYIXESKVOS-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
CCOCCOc1nccc(C)c1B(O)O	1981425084	CCCYLUYTUPESRO-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC2)C[C@H]1CO	1981728596	IBOAMYWKCZCKSQ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](F)(COC)C1	1984643816	DANUBRHXNBVOMO-PSASIEDQSA-N	233.287	-0.185	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCC2(C(=O)NN)CC2)C1	1986234364	JFDBHIJIAOQRQL-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@H]1C1CC1	1987390597	DWYZWUPUKRXGSV-GXSJLCMTSA-N	227.308	-0.398	50	10	BBGE	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@H]1Cl	1991687361	UPZHPQZJUHMVBV-OSMVPFSASA-N	247.678	-0.252	50	10	BBGE	
CC(C)(CCN1[C@H]2COC[C@H]1C2)C(=O)NN	1992317513	ZARBFNLUFJQEIT-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2COC[C@@H]21	1992339296	SVHOEPJFBWBPEJ-LPEHRKFASA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1C[C@@H]1OCC12CC(C(=O)NN)(CO1)C2	1993882446	WBKBOOUBFCAOCU-GHQHZXSUSA-N	226.276	-0.050	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)[C@@H](C)CCC(=O)NN	1997351281	KPOPDWKVVPLNLG-LPEHRKFASA-N	247.339	-0.791	50	10	BBGE	
O=C1CN([C@H]2C[C@H](n3cncn3)C2)CC(=O)O1	1997418787	XITNLPZYDWTXLJ-ZKCHVHJHSA-N	236.231	-0.633	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1c1ncon1	1997751846	FXZDCUQYTGFUHY-MRVPVSSYSA-N	239.279	-0.023	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)N1CCCCC1	1998130694	MZPRJAOUHZZIDQ-ZETCQYMHSA-N	244.056	-0.892	50	10	BBGE	
Cc1nc2n(n1)CCN(C[C@H](C)C(=O)NN)C2	2003930749	MVZSNPNQLIFEKM-ZETCQYMHSA-N	238.295	-0.972	50	10	BBGE	
CC1(C)[C@H]2CN(c3ccncc3B(O)O)C[C@H]21	2004911786	KVJCAGVDTRIEEM-DTORHVGOSA-N	232.092	-0.146	50	10	BBGE	
Cc1cc(N2CCCOCC2)ncc1B(O)O	2004918572	NGFNRRSYLMQODS-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
Cc1ccnc(OCCOC2CC2)c1B(O)O	2004925191	NLCQZULOUDYMNP-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CCC(C)(C)Oc1ncc(B(O)O)c(OC)n1	2004926055	ZJCFAUROBJKOEB-UHFFFAOYSA-N	240.068	-0.268	50	10	BBGE	
OB(O)c1cnccc1OCCN1CCCC1	2007034513	CBCGNPIKWXSRLP-UHFFFAOYSA-N	236.080	-0.764	50	10	BBGE	
CC(C)(CCN1C[C@@H](CO)[C@@H](F)C1)C(=O)NN	2008032398	XQQCYGHZUULJQE-IUCAKERBSA-N	247.314	-0.345	50	10	BBGE	
COCCCCOc1ncc(B(O)O)cc1C	2014223195	FSLZIXFUQWQQLU-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1ccccc1B(O)O	2022195890	CJEXMLKHKIWFJG-QMMMGPOBSA-N	237.064	-0.869	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]1CF	2022196962	VKZMSYRBSJJWIO-QMMMGPOBSA-N	237.039	-0.450	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2CO[C@@H](C2)C1	2052624045	CSDYGQMEJBFMRI-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2058060960	UQEMXDHHZLDTRM-GMTAPVOTSA-N	248.091	-0.625	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCc1ccccc1	2058157254	WGRLANUKGUZQNW-UHFFFAOYSA-N	243.071	-0.229	50	10	BBGE	
COc1c(B(O)O)cc(C#N)cc1[N+](=O)[O-]	2060284699	LXZPWLYIVCNTNA-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1cc(C#N)c(B(O)O)c(OC)c1	2060287234	MNIARCUZXPZKCZ-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2COCC[C@@H]21	2073061222	NLOABXNWHKPSEM-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
C[C@]12C[C@](Cn3cccc(B(O)O)c3=O)(CO1)C2	2082656121	VQJPWCDAOGAXHU-TXEJJXNPSA-N	249.075	-0.903	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1ncccc1B(O)O	2212610271	GATXQJRLLDWJDO-BDAKNGLRSA-N	222.053	-0.649	50	10	BBGE	
C[C@@H]1CSCCN1c1cc(B(O)O)ccn1	2212610397	IDTZYDARAKXYOH-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1cccc(B(O)O)c1	2214598687	JPXAQJMCQSIZOX-SNVBAGLBSA-N	237.108	-0.573	50	10	BBGE	
CN1CC[C@H](N(C)C[C@H]2CC[C@H]2C(=O)NN)C1	2215773553	BPBBIPMPEGDDJD-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCO[C@@]2(C#N)C1	2216068770	RFAPSYHSWIBXTH-KKZNHRDASA-N	238.291	-0.631	50	10	BBGE	
CC(C)[C@H](OC[C@@]1(C)COCCO1)C(=O)NN	2216072970	KNLAVVBSPUMTIV-GXSJLCMTSA-N	246.307	-0.177	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	2216198370	IGXUEIPXNKYNJN-VPOLOUISSA-N	240.351	-0.363	50	10	BBGE	
N[C@@H]1CC12CC(Oc1ccc(B(O)O)cn1)C2	2217171421	DFFGONOLKNTPDQ-INWMGODYSA-N	234.064	-0.980	50	10	BBGE	
COCCCN(C)c1cc(B(O)O)c(C)cn1	2217179001	DQZSGOCFEMSCAT-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1nccc(B(O)O)c1F	2217182258	BEGOHHKAXKCHAW-POYBYMJQSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Oc1cc(B(O)O)ccn1	2217189068	XPKAPWLCWMTXGA-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CO[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217203939	CFVQGPRWCFFSNM-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1[C@@H](Nc2ncccc2B(O)O)CCN1C	2217204596	LYHHDTLPTPTDIT-WPRPVWTQSA-N	235.096	-0.734	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1Cc2cncnc2C1	2221571226	DVHGENNLBGTVPR-WPRPVWTQSA-N	247.302	-0.192	50	10	BBGE	
CN(Cc1ncccn1)c1cc(B(O)O)ccn1	2223637149	OMXRNBFYZZOLLT-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCNCC23CC3)nc1	2223649920	FVVYWRDPWSIGMN-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1	2223653032	HNKASGPJHRTBGY-JGPRNRPPSA-N	248.091	-0.577	50	10	BBGE	
CN1CCC[C@@]1(C)CNc1ccc(B(O)O)cn1	2223665575	BWZGONCVTYXOFK-LBPRGKRZSA-N	249.123	-0.342	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CN1C	2223679268	NIMLTTIBIRPFDF-VHSXEESVSA-N	249.123	-0.710	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cnn(C)c1	2223680019	XOWXAQBKJQCCEQ-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1cscc1B(O)O	2243346734	BRFMZUASVQWYHZ-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
C#C[C@H](NC(=O)C#CB(O)O)C1CCCC1	2243349253	INSFFWYSBTYLJC-JTQLQIEISA-N	219.049	-0.690	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H]1C	2243363084	ARNCLRJKPRADEA-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
C=CCN(C)C(=O)c1c(C)nsc1B(O)O	2243386392	ZKSOCBHWJPHUNX-UHFFFAOYSA-N	240.093	-0.611	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(C)C1	2243399128	XBSYWYZOFMRPDZ-UHFFFAOYSA-N	223.037	-0.640	50	10	BBGE	
O=C(NCCC(F)F)c1ccsc1B(O)O	2243408852	WOQMFZGMBRMVMP-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
O=C(NCCCOC1CC1)[C@H]1C[C@@H]1B(O)O	2243414991	LZMJBNAKECAPAD-IUCAKERBSA-N	227.069	-0.465	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2243420380	RIRRTTDJFWMCDJ-QKAWAISNSA-N	225.053	-0.857	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)ccc1O	2243477412	HZSZSFFOUCKNOX-UHFFFAOYSA-N	223.037	-0.836	50	10	BBGE	
CC(C)c1cc(B(O)O)cc(C(=O)NO)c1	2243758963	ONFSKVJAMLGXHE-UHFFFAOYSA-N	223.037	-0.391	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cocc1B(O)O	2244212881	WOGUFDXQZGNOQM-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
NNC(=O)COCCOCC12CC(CO1)C2	2245193472	MKZOGWJPRZARSM-UHFFFAOYSA-N	230.264	-0.812	50	10	BBGE	
CP(C)(=O)[C@@H]1CN(CCC(=O)NN)CCO1	2245232096	PZQINUZQDLAZCZ-SECBINFHSA-N	249.251	-0.353	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1coc(B(O)O)c1	2247734294	RRKHIZQEIFLICZ-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CC(C)C	2247737914	LTNNHOOGZBBSID-UHFFFAOYSA-N	239.080	-0.004	50	10	BBGE	
O=C(NOCC1CCC1)c1ccoc1B(O)O	2247743310	BVGSUXVIKQVSOS-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
NC[C@H]1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247750245	GPJRLCHBIGTSHL-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1nccn1C	2247750383	IQXOSJUPSIWABD-UHFFFAOYSA-N	237.068	-0.220	50	10	BBGE	
COC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2247751604	ZKECDOJLCFDMTH-IUCAKERBSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@](F)(CO)C1	2247786625	DFNAGSPAPIWSIP-XKSSXDPKSA-N	245.059	-0.828	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247796572	AVYAARPVIXWEPC-GUBZILKMSA-N	242.128	-0.271	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1C[C@@H]1B(O)O	2247805655	KNONLKBGVBFAKH-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247806923	OZRWUGWLXMTKLL-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247807963	SKSUOZZGGUFXGN-AATLWQCWSA-N	240.112	-0.504	50	10	BBGE	
CCO[C@H]1CC[C@@H](CNC(=O)C#CB(O)O)C1	2247848246	JACOCDVGVMIYLA-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2247848427	LSDLYHZBZOQOSP-ZXFLCMHBSA-N	243.018	-0.591	50	10	BBGE	
C[C@@H]1CCC[C@@](O)(CNC(=O)C#CB(O)O)C1	2247851844	KYEHATQSPWHMHS-KOLCDFICSA-N	239.080	-0.941	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)C1CC(B(O)O)C1	2247859833	QBKVWLQCIJPGMA-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2[C@H](C1)C2(F)F	2247860188	SVTZTKVJEGAJHB-YWIQKCBGSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ccoc2B(O)O)C1	2247867887	ABUPBWOZPLBAIF-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C12CC(CO1)C2	2247873492	CDLGYCQVFDFUFV-JYPKXMCJSA-N	239.080	-0.323	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCCCN1	2247877216	DMABREMYURUXHI-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894604	IWUPZCPVKMZAEB-KYXWUPHJSA-N	240.112	-0.375	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@H]1O	2247895830	VPTUSJCGIWTTEL-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1O	2247899641	OZPHMHHTDRAGOU-BGZDPUMWSA-N	241.096	-0.485	50	10	BBGE	
NC[C@]1(F)C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899726	PTEDXTRNAFXAGH-BDNRQGISSA-N	244.075	-0.958	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248577533	NOMAWATVNKNUEU-RNFRBKRXSA-N	243.068	-0.391	50	10	BBGE	
CCCNC(=O)CCN1CCC(B(O)O)CC1	2249358596	SPZORSYIVHYLNK-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]1C1CC1	2249416291	PKDHTVXGJJNONJ-SNVBAGLBSA-N	235.048	-0.416	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1nc(C)ccc1B(O)O	2255481016	AYECYKPAHXKBJS-VIFPVBQESA-N	246.075	-0.836	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2255507051	XFUICEBHSNLHAX-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NOCC1CC1	2255511937	RHKKFEFLXGXNAW-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
CCC1(NC(=O)c2ccc(B(O)O)cn2)CCC1	2255519998	DZIJZISKSLZPOZ-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C2CCC1CC2	2255522062	FBUJSIQAIDUPHA-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC=CC[C@H]21	2255680312	QAQOBVWFBAZWDD-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC=C[C@H]1C2	2255741159	JXBGKWXAPSDTOY-IUCAKERBSA-N	247.059	-0.250	50	10	BBGE	
C#CCC1(C(=O)Nc2cccc(B(O)O)n2)CC1	2256638615	IUZYSJWVEZQFJB-UHFFFAOYSA-N	244.059	-0.497	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2258133130	LWDVJNCOGXHHEB-BRPSZJMVSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCCC[C@H]12)C1(B(O)O)CC1	2298367948	DNEJVNDPLFFAGR-VGMNWLOBSA-N	239.080	-0.323	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)C1(B(O)O)CC1	2298368004	HZMQGPKODPPURQ-XHNCKOQMSA-N	238.096	-0.668	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCCO1	2298374920	SWFXSZXCZQHZDM-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C(=O)COC1=O	2300375671	WMHSPAYRONLEAQ-NKWVEPMBSA-N	241.247	-0.629	50	10	BBGE	
CC[C@H](CO)Nc1ccc(B(O)O)cc1C#N	2301339751	WTRCWBQDFPTYPV-SNVBAGLBSA-N	234.064	-0.579	50	10	BBGE	
Cc1cc(O)nc(CN2CC[C@@H](B(O)O)C2)n1	2303133156	JSDJTZNVSPDXPG-MRVPVSSYSA-N	237.068	-0.461	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC2(O)CCOCC2)C1	2303134714	VPMVWQCWCDTPJG-JTQLQIEISA-N	243.112	-0.533	50	10	BBGE	
CN1C[C@@H](CN2CC[C@@](C)(B(O)O)C2)CC1=O	2303160319	UUTHSWDMDICTAT-GXSJLCMTSA-N	240.112	-0.597	50	10	BBGE	
CC1(C)C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847029	BJQHOLIJYDJGBH-ZETCQYMHSA-N	238.071	-0.220	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)c1cc(B(O)O)ccn1	2312612412	WHVRDFDKARHXNI-NHCYSSNCSA-N	248.091	-0.768	50	10	BBGE	
CCN1CC(Nc2ccc(B(O)O)cc2C#N)C1	2317155116	QMJXAWOKSMZGQA-UHFFFAOYSA-N	245.091	-0.646	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C(C)(C)CN	2317161138	BGBAGUDZYSNFPD-UHFFFAOYSA-N	247.107	-0.588	50	10	BBGE	
Cc1csc([C@@H](C)NC(=O)C(=O)NN)n1	70734366	IIXRAEIZOHBPFD-RXMQYKEDSA-N	228.277	-0.381	50	10	BBGE	
O=C1CN(C(=O)C(Cl)Cl)CCN1	100197345	HMASLPVONWRVFE-UHFFFAOYSA-N	211.048	-0.252	50	10	BBGE	
OB(O)c1ccc2nnc(C(F)(F)F)n2c1	201193680	GTQXSNVMLRGFCA-UHFFFAOYSA-N	230.942	-0.572	50	10	BBGE	
COC[C@H]1CCN(Cc2ccccc2B(O)O)C1	203525283	FTVFSAVCOCATQV-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
NC(=O)CC[C@H](NCCCl)C(=O)O	205413080	HTNLAUSKAPDYOK-YFKPBYRVSA-N	208.645	-0.467	50	10	BBGE	
OB(O)[C@H]1CCCN1C(=S)[C@H]1CCCN1	207112852	VQMXYVPCSGICBN-HTQZYQBOSA-N	228.126	-0.458	50	10	BBGE	
C[C@H](Cc1ccc(B(O)O)cc1F)NC=O	208614690	IOHYMJRJXXFCAD-SSDOTTSWSA-N	225.028	-0.818	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	211150131	ZOEQVAQOLTWHKW-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](Br)C(=O)Nc1nnn(C)n1	235451333	LQQNBGYSTPYQPH-VKHMYHEASA-N	234.057	-0.068	50	10	BBGE	
O=C1CN(c2nnc(CCl)o2)CCN1	236022950	KGJBQPRWHCMEAJ-UHFFFAOYSA-N	216.628	-0.255	50	10	BBGE	
NNC(=O)[C@H](N)Cc1cc(F)ccc1F	258956904	FZLWNIJMPDWGEW-MRVPVSSYSA-N	215.203	-0.176	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](N)C1	307198810	VQTQLJYWYWJVDX-FXQIFTODSA-N	200.286	-0.966	50	10	BBGE	
Cn1nnnc1CNC(=O)CCCCl	389306243	NCJJXOPATWQETI-UHFFFAOYSA-N	217.660	-0.155	50	10	BBGE	
CCC1(NC(=O)C(=O)NN)CCOCC1	389453414	JALKIJNIGRDKCT-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
CCN(CCO)[C@H](C(=O)NN)C(C)(C)C	395605061	BKVFSOFDLFDMPB-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
Nc1cc2c(B(O)O)ccc(C=O)c2s1	396259623	SUUDVLDBHUPLEQ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)C(=O)NN	398735538	DJHBDUMWWXOYTH-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(CCCC(=O)NN)C1	398862230	WLDPAESAXSBXST-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CCCC(=O)NN	399399994	GEODEPOWBDMFEF-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)C[S@@](C)=O	399928504	XATAOYXUHZTISX-FRNRBWFLSA-N	249.380	-0.300	50	10	BBGE	
C[S@](=O)CCN[C@H]1COC[C@@H]1Cl	400645412	QRTBOOWYXPWKLS-WSFZALMZSA-N	211.714	-0.039	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCCO)C1CC1	404249473	LLHKXAKWXQRVRV-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	404963012	DXQPCBCXCYJQJW-QMMMGPOBSA-N	234.064	-0.254	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CCC1	405008994	VAZYYPJGCBTAAT-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CCCCNC(=O)Nc1ccnc(B(O)O)c1	405182715	JROZJYMTRLXZSB-UHFFFAOYSA-N	237.068	-0.317	50	10	BBGE	
CN(C)C[C@@H]1CCN(CCC(=O)NN)C1	689161429	XDPFKXWWJBHARD-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
CC(C)OCCCOc1cncc(B(O)O)c1	690522123	VSUULTGSNNZDIZ-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
Cn1nnc2c(/C=C\B(O)O)cccc21	692641698	YTIPINCNIWFDID-WAYWQWQTSA-N	203.010	-0.007	50	10	BBGE	
C[C@@H](Cn1nnnc1CCl)S(C)(=O)=O	697561318	AQEJIUXJBNSMBZ-YFKPBYRVSA-N	238.700	-0.155	50	10	BBGE	
CO[C@H]1CN[C@@](C)(C(=O)NN(C)C)C1	701574349	FXWRZKNPAGMDHL-VXNVDRBHSA-N	201.270	-0.654	50	10	BBGE	
CCCNC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703425541	WYNXLANAGSMXTI-YUMQZZPRSA-N	240.259	-0.571	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1cc(C(=O)NN)no1	703552191	LJVYPCVLFZPRKQ-HZGVNTEJSA-N	241.247	-0.170	50	10	BBGE	
C[C@@H](CN1CC(n2cccn2)C1)C(=O)NN	707398831	JSULQTUSBZSIKG-QMMMGPOBSA-N	223.280	-0.634	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	708298086	USEARHVBUMACFV-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CN(C(=O)CCCl)[C@@H]1COC[C@H]1O	709105496	BSHGWTZUFGYWHC-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
Cn1cnc(C(=O)N2CCC(O)(C#N)CC2)c1	709377206	UIOSFQZOJKCWBC-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@@H](C)C1O	710896154	DSHBLRKWCBSOAZ-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
Cl[C@@H]1COCCN(CCn2cnnn2)C1	712595372	XYAXYNRFBVDATP-QMMMGPOBSA-N	231.687	-0.387	50	10	BBGE	
C#CCOC(=O)N1CCc2ccc(B(O)O)cc21	712957887	VIRBOJIWUDROBU-UHFFFAOYSA-N	245.043	-0.501	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]2C1	718254240	XXZJPSDEODRZKD-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
CN(N)C(=O)C1=CCC(=[N+]([O-])O)S1	725598871	XLUQENAVEFBKFX-UHFFFAOYSA-N	203.223	-0.363	50	10	BBGE	
CCCN1CCC[C@H]1C(=O)NN(C)C(N)=O	778414429	BVZHGZUHCSYHRL-QMMMGPOBSA-N	228.296	-0.098	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@]1(C)CCC(=O)NC1	798832059	RUPVMDJGEJIPPI-NSHDSACASA-N	241.291	-0.294	50	10	BBGE	
CCNC(=O)NNC(=O)CN1CC[C@@H](C)C1	847391406	YANNTDYVLMEJOM-MRVPVSSYSA-N	228.296	-0.322	50	10	BBGE	
OB(O)c1ccn(C[C@H]2OCCC23CCC3)n1	888081791	UEQPCEADLOCUFM-SECBINFHSA-N	236.080	-0.478	50	10	BBGE	
C=C(C)CONC(=O)NNC(=O)c1cn[nH]c1	1252549916	OYRMKXCKIILYLD-UHFFFAOYSA-N	239.235	-0.139	50	10	BBGE	
Cn1cnc(NS(=O)(=O)CCl)n1	1260927578	IPZDZXVJNPAYNR-UHFFFAOYSA-N	210.646	-0.247	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1ncc(F)cn1	1446285788	QYZJFSUWZUBJQM-VIFPVBQESA-N	226.211	-0.004	50	10	BBGE	
O=C(CO)NNC(=O)c1cnc2cc[nH]c2c1	1457736747	YOYKJKYFYREKTI-UHFFFAOYSA-N	234.215	-0.684	50	10	BBGE	
Nc1cccnc1C(=O)NNC(=O)c1ncon1	1472178771	FNCGJTWNFGAVQI-UHFFFAOYSA-N	248.202	-0.878	50	10	BBGE	
COCCn1cc(C(=O)NN(C)C(N)=O)cn1	1623316240	NAEMJIRXUJWTGY-UHFFFAOYSA-N	241.251	-0.815	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H]2[C@@H]1C[C@H]2O	1882061392	IINVSLMANIKPEN-LYFYHCNISA-N	225.697	-0.032	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H](O)[C@H](O)C1	1887704823	RDNSRVNKHWBQNL-GJMOJQLCSA-N	221.684	-0.185	50	10	BBGE	
O[C@H](CCl)CN1CCO[C@H]2COC[C@H]21	1889523912	SEUCJIZKJQGFHD-HLTSFMKQSA-N	221.684	-0.314	50	10	BBGE	
OB(O)c1csc(COCCF)n1	1891823870	PNSQDJRKWAKQMY-UHFFFAOYSA-N	205.019	-0.691	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21	1894800029	CHDIDZLKJPLLBE-FKSUSPILSA-N	227.264	-0.129	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)C1COC1	1900501185	HUXHRLUPZSPJIK-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CN(CCCCCCC(=O)NN)CC(N)=O	1900666738	ULGCBGLFIUNARM-UHFFFAOYSA-N	230.312	-0.656	50	10	BBGE	
CN(NC(=O)[C@]1(N)CC[C@H]2C[C@@H]21)S(C)(=O)=O	1901374266	CNDPNNYZWIDWEG-ZKWXMUAHSA-N	247.320	-0.964	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](N)CC1CC1	1901375645	OSJTWFPKKLDUEK-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnsn2)C1	1902514530	WQKHKPSKEYWRSJ-MRVPVSSYSA-N	241.081	-0.383	50	10	BBGE	
OB(O)[C@@H]1CCN(CC[C@@H]2COCCO2)C1	1902516518	CHAWYBPFJBOSBS-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
COC1(C(=O)N2CC[C@](C)(B(O)O)C2)CC1	1902517915	MZBPVXUAKLKYBS-VIFPVBQESA-N	227.069	-0.369	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(C1)CC2(F)F	1914535137	WKYQMBXAMLLXQE-NKWVEPMBSA-N	231.246	-0.047	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)C[C@H]1C#N	1914868871	HJMDUYQNCVSWIW-SECBINFHSA-N	239.323	-0.858	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H](C)C(=O)NC	1916199756	BQFOOEOLEMMAIH-SFYZADRCSA-N	230.312	-0.789	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1917583279	XLWUHXCXSBRWSE-QQGCVABSSA-N	209.249	-0.022	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926423581	YYIHTCHGFJOHTA-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CCNC2)CC1	1928977186	VEKFFCBILWNUBM-SNVBAGLBSA-N	209.293	-0.054	50	10	BBGE	
COC[C@H](CCl)NS(=O)(=O)N1CCC1	1929936390	GIXOJGOLIIIZKZ-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
CCCN(CCCO)[C@H](CC)C(=O)NN	1930055621	IFMDZCCZLSWUIO-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CN(C)[C@]1(C)CCN(CCC(=O)NN)C1	1930373804	OCSGGJDNCDXJKT-SNVBAGLBSA-N	214.313	-0.608	50	10	BBGE	
CN(CC[C@H]1CCCO1)CC(=O)NN	1935343849	PQIBTKYGOZMXIO-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
N#C[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936090882	LKGOLPOSOYXZPS-KXUCPTDWSA-N	222.292	-0.152	50	10	BBGE	
O=C(Cn1cnnn1)N1CCOC[C@H](Cl)C1	1937160247	SDPKSPKEVYFNSW-SSDOTTSWSA-N	245.670	-0.861	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC(C)(C)CO	1938123342	YUGOHZJAEBSHMT-RKDXNWHRSA-N	229.324	-0.437	50	10	BBGE	
NNC(=O)CCN1CC2(CC[C@H]1CO)CC2	1939209085	XBKAPPDBLALMAJ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940641961	AAVWBKUTHLNWNG-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
O=C(NNCCO)c1ccc(F)c([N+](=O)[O-])c1	1944215110	DHCPLZVLRCONCT-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
O=C(O)[C@@H]1[C@@H](C(=O)NNCCO)[C@H]2C=C[C@H]1C2	1944216344	UYLNHIRUUWLDTK-JBDRJPRFSA-N	240.259	-0.878	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)C[C@H](O)C#N	1951420374	HOUQHOZWNOXHKO-RQJHMYQMSA-N	207.251	-0.943	50	10	BBGE	
[C-]#[N+]CC[C@H](CS(C)(=O)=O)NC(C)=O	1951437708	GFCUBALFLZAHKJ-MRVPVSSYSA-N	218.278	-0.155	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@@H](O)CCl	1954823027	YWMCDVRSOBSPNR-BQBZGAKWSA-N	208.689	-0.348	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)C(=O)NN)C1	1958955107	BVFRCKVVKIVDTR-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
COC1(CF)CN(C[C@@H](C)C(=O)NN)C1	1961043275	PCGFUEWGKRFGOL-SSDOTTSWSA-N	219.260	-0.717	50	10	BBGE	
O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H](O)CCl	1961303096	UENVUVDYZOAPLF-HRDYMLBCSA-N	232.711	-0.061	50	10	BBGE	
CCC1CN(c2ncncc2B(O)O)C1	1961681494	UPSOGJMZLWYFDK-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1nc(B(O)O)cs1	1961696985	UOLCWSYYKYZSPO-WDSKDSINSA-N	229.066	-0.763	50	10	BBGE	
NNC(=O)c1sncc1CN1CCC1=O	1961921786	NEVAGTXNKPLLDA-UHFFFAOYSA-N	226.261	-0.521	50	10	BBGE	
C=C(C)C(=O)Nc1ncccc1B(O)O	1961975636	FCGDXHLVROWLRA-UHFFFAOYSA-N	206.010	-0.724	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C[S@](C)=O)C1	1979478928	AHFFSFZYBCARMQ-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]2CC[C@H]1O2	1980046034	JDONEINWWROPDC-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1ccc(N2CC(C(F)F)C2)nc1	1981409499	NPHOXNKYOUZKPO-UHFFFAOYSA-N	228.007	-0.537	50	10	BBGE	
CN(CC(F)(F)F)c1ccc(B(O)O)cn1	1981413736	KACQKMJXHQOHCU-UHFFFAOYSA-N	233.986	-0.240	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CCOC2)n1	1981428271	ZFQBWEKMUSAFNY-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
CCOC[C@H](C)Oc1ccncc1B(O)O	1981429482	DXICBKCXTJEAOY-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CCC12CCC2	1982212788	XJZFQDWUJJSHCH-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	1988180947	NHZJPNQARGJNQT-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC(C)[C@H](C)Cn1cccc(B(O)O)c1=O	1988303428	UHVIJWBVDIADFB-SECBINFHSA-N	223.081	-0.180	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC=CB(O)O	1991325963	BIAZCDFZAYAVAZ-XFWSIPNHSA-N	223.081	-0.037	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnns1	1991331243	ZBWUZDFOBSIUKE-LURJTMIESA-N	239.065	-0.631	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COC2(CCC2)[C@H]1Cl	1995075723	YDTOAWNCQYMILQ-RQJHMYQMSA-N	243.698	-0.027	50	10	BBGE	
Cc1nc([C@H]2CCCN2[C@@H](C)C(=O)NN)no1	1997769338	ZHPCAQWLUPUROP-POYBYMJQSA-N	239.279	-0.107	50	10	BBGE	
CC(C)(CCN1CC[C@H]2C[C@@]2(O)C1)C(=O)NN	2004192697	ZTZVQRZSODMDKS-JOYOIKCWSA-N	241.335	-0.151	50	10	BBGE	
CN(CCC1CCC1)c1ncncc1B(O)O	2004911021	BOBKSVVYUHPHQI-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1cnccc1N1CC(F)(C2CC2)C1	2004916168	IQNBXRKXYXZMON-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CN(CC1(C)COC1)c1ncccc1B(O)O	2004934598	HNXGFKJWJXOYEC-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H]2CO)cn1	2007740174	FRHIPSGSEFDMRP-SECBINFHSA-N	236.275	-0.748	50	10	BBGE	
COc1cccc(CN(C)[C@H](C)C(=O)NN)n1	2010861086	XQSOAMXKLYBCIR-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1cc(C(=O)NN)co1	2011153646	HFYOLMFAIPIROU-OIBJUYFYSA-N	239.275	-0.162	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2[C@H]3COC[C@H]32)c1	2015128951	VQJXFVKLEFUFIG-JGPRNRPPSA-N	235.048	-0.967	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@]1(C)O	2017233301	DBXUKONAXUUDRS-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CN(C)C[C@@]12CCOC[C@H]1C2)C(=O)NN	2018566078	XCTVFRWONPNJGF-FOGDFJRCSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C)C[C@H](C)C1	2019209744	LNNKYYQDFHKWPN-VIFPVBQESA-N	242.323	-0.963	50	10	BBGE	
COC1CC(CCC(=O)NCC#CB(O)O)C1	2021106223	CGLQENNNOJHGOM-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)c(F)c1	2021157446	MNPVDRXUTPLLLF-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
Cc1ccc(CN(C)C[C@H]2C[C@H]2C(=O)NN)nn1	2029088785	FLCCCUQFZAKSTP-MWLCHTKSSA-N	249.318	-0.157	50	10	BBGE	
CCn1ncc(COc2ccccc2B(O)O)n1	2052322758	KBLZLQQHVBMGSR-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@]2(CCOC2)C1	2052491963	NEBKBBTWRHFCBH-GFCCVEGCSA-N	248.091	-0.622	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2053736000	ONSQDOXSCHKVOZ-PDEGPIFNSA-N	244.103	-0.086	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2055739987	JLEOYKWJVNBWNV-JIGDXULJSA-N	246.079	-0.592	50	10	BBGE	
CCc1cc(OC)c([N+](=O)[O-])cc1B(O)O	2060053796	IKLWRJCDBBHLLE-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
C#CCCCCNC(=O)c1ccccc1B(O)O	2079009367	QXIHCUIFPWOQDO-UHFFFAOYSA-N	245.087	-0.100	50	10	BBGE	
NNC(=O)C(=O)NCc1c(F)cccc1F	2211237181	ZGUPHHMQDSODGM-UHFFFAOYSA-N	229.186	-0.429	50	10	BBGE	
Cc1cnc(OC[C@H](C)CN)cc1B(O)O	2212599867	OSAGXZZOBLLUIG-SSDOTTSWSA-N	224.069	-0.957	50	10	BBGE	
CNC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2212603190	DDEABXOONOWBIA-QMMMGPOBSA-N	223.085	-0.910	50	10	BBGE	
NC1(COc2ccc(B(O)O)cn2)CCC1	2212603826	JJMXXISJQMZFHC-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
CCC[C@H](CN)Oc1ccc(B(O)O)cn1	2212609028	XWELBYRNNUQTIT-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2C[C@@H]3C[C@H]3C2)n1	2216577761	SJFLZMXHTUSDQT-YUMQZZPRSA-N	234.064	-0.358	50	10	BBGE	
CC[C@H](O)[C@@H](CC)Nc1ncccc1B(O)O	2217172283	IWVMMPMTMRZPML-ZJUUUORDSA-N	238.096	-0.277	50	10	BBGE	
CC1(O)CC(Nc2nccc(B(O)O)c2F)C1	2217181366	OVOUQTNMMYYIJJ-UHFFFAOYSA-N	240.043	-0.774	50	10	BBGE	
CC(C)(Oc1ncccc1B(O)O)[C@@H]1CCN1	2217183081	FGEPRPLVIWIHAG-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1C[C@@H]1NCCOc1cc(B(O)O)ccn1	2217191679	DKRIVAPSOSRLNO-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)c2cc(B(O)O)ccn2)CO1	2217200149	RAVTVZCWVSXJOS-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
OCC1=CCN(Cc2cccc(B(O)O)c2)CC1	2220073156	SFPMFJZWUFFDOE-UHFFFAOYSA-N	247.103	-0.509	50	10	BBGE	
N[C@H](CNc1cc(B(O)O)ccn1)c1ccco1	2223632764	NSCWYBCZWWLTBG-SECBINFHSA-N	247.063	-0.534	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3NCC[C@H]32)c1	2223642053	YHIOVXBTGOCUKJ-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(NC23CCN(CC2)C3)cc1B(O)O	2223644268	HDBAZNIUQGTSBF-UHFFFAOYSA-N	247.107	-0.670	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2COC3CC2C3)c1	2223676006	ZZSHFEYQABRTTF-YUCVTWSNSA-N	248.091	-0.402	50	10	BBGE	
CNNC(=O)C1CC(S(C)(=O)=O)C1	2241663760	IZYRJQNRTQPWAV-UHFFFAOYSA-N	206.267	-0.940	50	10	BBGE	
CO[C@@H](CCl)CN=c1[nH]cc[nH]c1=O	2242438265	HPROXMIOEDCTHM-LURJTMIESA-N	217.656	-0.143	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)C1(B(O)O)CCC1	2243348090	SYMZCFTZZPTIBB-UHFFFAOYSA-N	223.041	-0.524	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1ccc(B(O)O)s1	2243362273	OVAXZUCUVKBXFN-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
C[C@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CC1	2243363531	IGPYSAVHELURHE-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)cs1	2243385609	LRVFXADVHCZGAX-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2CCC[C@H]21	2243400955	KCMYOLSONFXHHL-VHSXEESVSA-N	221.065	-0.207	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)[C@H]1C	2243401343	PPXJWOXRFWFNFV-IVZWLZJFSA-N	223.081	-0.057	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCCC1	2244204783	AMIVYCMPIVBSGI-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
CON(CCOCC(=O)NN)CC1CCC1	2245105849	DSNIJTJESORGLR-UHFFFAOYSA-N	231.296	-0.344	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@@H](C(=O)NN)C(C)(C)C	2245134941	HWVPUVXZKWAFJT-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1CO	2247732543	HECKPPFAHLZVRH-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)[C@@H]1C[C@H]1C	2247734933	WHFQRXLFRAGTED-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
C=CC=CCCNC(=O)c1cc(B(O)O)c[nH]1	2247747724	RNNZJMKESDYERE-UHFFFAOYSA-N	234.064	-0.443	50	10	BBGE	
C/C=C/CNC(=O)c1c(F)cccc1B(O)O	2247761068	QLPZSHANLLOEGD-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247782620	VYMGBPNUZCBXEL-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
C#CC1CN(C(=O)c2cc(B(O)O)c(C)s2)C1	2247785901	RZTJRTVBSMGJDP-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
O=C(NCC1(CCO)CC1)C1CC(B(O)O)C1	2247797603	LICMTPNTWKTEHA-UHFFFAOYSA-N	241.096	-0.482	50	10	BBGE	
C[C@@H]1N(C(=O)[C@@H]2C[C@H]2B(O)O)CCOC1(C)C	2247806819	GLKGCKBXNFDYMT-DJLDLDEBSA-N	241.096	-0.125	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1C[C@@H]2O	2247859859	QGOJPUHZZOSRMS-RKWLFCDHSA-N	239.080	-0.779	50	10	BBGE	
CC=CCNC(=O)c1cccc(F)c1B(O)O	2247870773	PPQYYVDJAWEZGU-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)cn1C	2247874869	QHTDDPAZUWUEJT-HQJQHLMTSA-N	236.080	-0.767	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CCC2)CCC[C@H]1O	2247877097	BWRRPJJRUXWKFQ-PSASIEDQSA-N	241.096	-0.197	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCCNC1	2247877217	DMCIJDYEGKIZBG-JTQLQIEISA-N	240.112	-0.501	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)C#N)oc1B(O)O	2247891609	KWILWDBJFLSQEB-LURJTMIESA-N	236.036	-0.843	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247896211	YCDCAKSPPKWBHK-VVULQXIFSA-N	239.080	-0.467	50	10	BBGE	
NC[C@]1(F)C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899730	PTEDXTRNAFXAGH-FDDDBJFASA-N	244.075	-0.958	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1cocc1B(O)O	2249417572	HYXOOTAQGMXDFL-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2249417795	LBHVZOGDGRISEK-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
O=C(N1CCc2c[nH]nc2C1)C1(B(O)O)CCC1	2255453013	NYFZIKJDZNMLMM-UHFFFAOYSA-N	249.079	-0.309	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)c1ccco1	2255549496	XECOGDIJFIBZLB-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
CN(CCc1ncccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2255570781	JCOIINWYJOMVHA-IUCAKERBSA-N	249.079	-0.660	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ncccc1B(O)O	2255714081	LVWMBKJOIQAKHC-WCBMZHEXSA-N	246.075	-0.710	50	10	BBGE	
Cc1cc(C(=O)NC2CC3(CC3)C2)oc1B(O)O	2255780896	DYGQTAIAFMEURR-UHFFFAOYSA-N	249.075	-0.060	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1ccoc1B(O)O	2257068663	YTWMFTYGNATBDL-IONNQARKSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cocc1B(O)O	2258128094	NUUQAMXEEFGWDX-ARLZRJTCSA-N	247.059	-0.656	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369006	FRCUPUAXESWWKB-IMSYWVGJSA-N	241.096	-0.364	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@H](F)C(=O)O	2298463608	OGMPUYDNEQPJAT-WNJXEPBRSA-N	247.031	-0.976	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC2CC1(CO)C2	2299796957	SXPBDZXPAJETQB-SKMKEBHYSA-N	241.335	-0.152	50	10	BBGE	
COCC(COC)CN1CC[C@](C)(B(O)O)C1	2303146254	FHHGJMAAZWSREE-NSHDSACASA-N	245.128	-0.166	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1CN2C)C(=O)NN	2303414311	WTKKOQBGAFDACV-JFGNBEQYSA-N	240.351	-0.219	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303835635	ZSXQYFMEWRKDAZ-BDAKNGLRSA-N	240.043	-0.510	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)CO1	2303836367	LOJUYIORLXKBCH-NKWVEPMBSA-N	240.043	-0.510	50	10	BBGE	
CC(C)[C@H](CN)Oc1cc(B(O)O)c(F)cn1	2303848643	BXOMXMZOZKHCLB-VIFPVBQESA-N	242.059	-0.737	50	10	BBGE	
C[C@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)CO1	2303853132	RTXHNHCVHZIDEI-BQBZGAKWSA-N	241.027	-0.543	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1cc(B(O)O)ccn1	2312612205	IINZHRPZKMSKQH-MPKXCIJOSA-N	247.107	-0.701	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2312857338	LWCZWFMIFPZALG-NORCUCSASA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cocc1B(O)O	2313187163	SAZQUZDZUJGXLW-VAOFZXAKSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H]1CN	2317164053	UZICJCKJNUWOHX-LDYMZIIASA-N	245.091	-0.613	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCCCl	37834229	QSHBCPBKMCBTNN-HTQZYQBOSA-N	248.710	-0.157	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)NC(=O)CCCl	42576074	VKICUTWDCPJKRV-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
CC(C)C[C@H](N)C(=O)NNC(=O)C1CC1	49815371	OMYGUVZYKHHXRF-QMMMGPOBSA-N	213.281	-0.083	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CO[C@@H]2CCOC2)O1	82465490	WZVWHQAGOGFEOM-IWSPIJDZSA-N	230.264	-0.671	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1COCCO1	82512926	PEDOHXQTOOEBOO-LURJTMIESA-N	229.685	-0.483	50	10	BBGE	
CN(C)[n+]1cc(NC(=O)CCl)on1	83251677	LFQOJOYJEALAOH-UHFFFAOYSA-O	205.625	-0.663	50	10	BBGE	
C/C(NCCCN(C)C)=C(\C#N)C(N)=O	100257034	GLABUMKWRLMDDY-HJWRWDBZSA-N	210.281	-0.189	50	10	BBGE	
N#C[C@H](Cl)CN1CCCNC(=O)C1	132546833	MLSBQUOHMAISQK-ZETCQYMHSA-N	201.657	-0.061	50	10	BBGE	
O=C/C=C/[C@H]1[C@H](CC(=O)O)[C@@H](O)C[C@H]1O	145723107	AZNZYQFJBBPJNK-TYFWRURCSA-N	214.217	-0.426	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNCC1	147241853	FZAYQCOLKMSJFP-QMMMGPOBSA-N	200.286	-0.950	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)O1	159712960	HZYJAZLHQUMICD-SFYZADRCSA-N	229.280	-0.737	50	10	BBGE	
COc1ccnc(NNC(=O)[C@@H](C)[C@H](C)N)n1	192003454	KDPPSKBMXBPGNH-BQBZGAKWSA-N	239.279	-0.088	50	10	BBGE	
CC[C@@H](N)C(=O)N[C@@H](CC(C)C)B(O)O	213616103	GCAUCSIDAMISFT-SFYZADRCSA-N	216.090	-0.733	50	10	BBGE	
CN(CC1CC1)C[C@H]1CC[C@@H](C(=O)NN)O1	223086485	LUGYERUPKAWHJS-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
COCCCO[C@@H](COC)C(=O)NN	232417429	NBZLCAUOROAYCK-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(Cl)cn1	232421041	DKTBOOOFZGJGFP-LURJTMIESA-N	218.644	-0.286	50	10	BBGE	
COC(=O)C[C@@H](Cl)[C@@H](N)C(=O)OC	238327608	JBGAUKIXHHKKKV-INEUFUBQSA-N	209.629	-0.343	50	10	BBGE	
COc1cccc2ncc(B(O)O)cc12	238339825	XUVAGZFBGQTDSB-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
Nc1nc(N)nc(NCC(=O)Cl)n1	238662955	WQVVYKDCDSYKIS-UHFFFAOYSA-N	202.605	-0.787	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@H]1CCS(=O)(=O)C1	252745170	ULAJUSMMPGDFEE-YUMQZZPRSA-N	241.740	-0.295	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)CO	252804355	CYRDGOKPPOFMHP-HTQZYQBOSA-N	203.286	-0.687	50	10	BBGE	
CC(C)S(=O)(=O)C1=NC=C(C#N)S1(=O)=O	259979814	HTGMWZDOWDIREW-UHFFFAOYSA-N	248.285	-0.041	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCO[C@H](C)C1	299999860	XQSNDYMLJGNPKN-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1CN(C)C	300019077	IMYNDSVDYLZWIB-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Br)CN[C@@H]12	306962139	BUILLGUUARROIS-KVQBGUIXSA-N	234.097	-0.843	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@]1(CO)CCOC1	307167022	QKQHNNDTQWQCPW-XPUUQOCRSA-N	207.657	-0.119	50	10	BBGE	
OB(O)c1nc(C(F)(F)F)ccc1O	307554636	AJSAXMSRCLNKFV-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](CO)C(C)(C)C	381518407	SYAZFKOAEVFBNK-MRVPVSSYSA-N	231.296	-0.850	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@H](C(=O)NN)C(C)C)C1	383700924	SEWCTPJYKGCCJF-BBBLOLIVSA-N	245.323	-0.918	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387594992	GUSKPFQBBCPOFA-DJLDLDEBSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@@]1(C)CN	389744063	WUHXUIMQVXHJGA-PSASIEDQSA-N	214.313	-0.717	50	10	BBGE	
CC[C@H](C)S(=O)(=O)NNC(=O)NC	393589585	KOFFNASZBPSKOZ-YFKPBYRVSA-N	209.271	-0.452	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C(N(C)C)[C@H]2C1	394947637	GCGOLQJBVIKHBC-XKNYDFJKSA-N	240.351	-0.507	50	10	BBGE	
C[C@@H]1C(=O)N(CCCC(=O)NN)C[C@@H]1C	399516543	MNXLUCOCRVFSFV-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC[S@](C)=O	399928151	RIGFVEZUYHCARC-VQLIFVOLSA-N	235.353	-0.689	50	10	BBGE	
CNNC(=O)c1c(Br)nnn1C	575598974	IZGQTAVGXGPUQN-UHFFFAOYSA-N	234.057	-0.558	50	10	BBGE	
CN1CC(CN(C)[C@@H](C(=O)NN)C(C)(C)C)C1	692719006	JNHDDTKKSHLGJS-JTQLQIEISA-N	242.367	-0.116	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	693991891	MJZGSUJLJFZIJY-LPEHRKFASA-N	238.291	-0.631	50	10	BBGE	
NC(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O	700865987	ZWHCAXGKPQIJEG-UHFFFAOYSA-N	241.163	-0.992	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1CCOC[C@@H]1Cl	706705358	ZAFGRRGPRNCCHM-WDSKDSINSA-N	217.660	-0.560	50	10	BBGE	
C[C@H]1CC(=O)NCCN1[C@H](C)CCC(=O)NN	707176699	UYAFNWGIQRSAFW-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN1CCC(C)(N2CC(=O)OC(=O)C2)CC1	714905249	CEJFMQCSQDETBG-UHFFFAOYSA-N	226.276	-0.144	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)CCCl	716785440	KKYOISNQZRCNDL-SSDOTTSWSA-N	208.689	-0.346	50	10	BBGE	
O=[N+]([O-])[C@H]1C=CC([C@H]2NN=C(CCl)O2)=[S+]1	725562547	PZZWZXCOIGMLLH-RQJHMYQMSA-N	248.671	-0.088	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1F	857318092	UGHLBLWVMBJWFV-ZCFIWIBFSA-N	240.238	-0.390	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(C)[C@H]1C	925345581	QYTNOLQRNZYFFY-JGVFFNPUSA-N	244.295	-0.009	50	10	BBGE	
Cc1nnsc1C(=O)NNc1cnnn1C	1183569978	ATHHNEOWCLHWHK-UHFFFAOYSA-N	239.264	-0.268	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@@H]2F)n1C	1347831596	KPIQZIADLBSQLK-WDSKDSINSA-N	213.216	-0.075	50	10	BBGE	
N#C[C@@]1(C(=O)NNC(=O)CO)CC12CCCC2	1611095011	WWQDEUMOYRIBJW-LLVKDONJSA-N	237.259	-0.400	50	10	BBGE	
CCC1(C(=O)NNC(=O)c2ncon2)COC1	1618116642	PMGRINGDCOJMDC-UHFFFAOYSA-N	240.219	-0.743	50	10	BBGE	
CN(NC(=O)c1coc(C(N)=O)c1)C(N)=O	1632039975	ZAXPGPRBNQLFNJ-UHFFFAOYSA-N	226.192	-0.966	50	10	BBGE	
COC(=O)N(C)NC(=O)NC[C@H]1CNC(=O)C1	1673643552	UVHUSKMSXYMTBJ-ZCFIWIBFSA-N	244.251	-0.965	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)CCCl	1882315037	HVOPMPFGFMRUQG-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](O)[C@H](O)C1	1882908093	VFGXRGXXGSRJMO-BWZBUEFSSA-N	209.673	-0.986	50	10	BBGE	
O=C1CNCC(=O)N1C[C@@H]1C[C@H]1Cl	1883551892	KYZXGFUDOPHRPO-NTSWFWBYSA-N	202.641	-0.428	50	10	BBGE	
O=C(NCCOCCO)[C@H]1C[C@H]1Cl	1883634208	HTQMTSQCTMUXAY-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
CNCCSCCC(F)(F)C(=O)NN	1885134984	NIZDCIUXBMINIZ-UHFFFAOYSA-N	227.280	-0.046	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(F)C1	1892435680	CERFCFLYCWFYNY-UHFFFAOYSA-N	203.217	-0.803	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@H](O)CO	1893416951	JAIDKNNRVVTURO-LURJTMIESA-N	221.640	-0.833	50	10	BBGE	
O=C(NCC1(CO)COC1)[C@H]1C[C@@H]1Cl	1893461871	UDIZQHCIUYFVAR-BQBZGAKWSA-N	219.668	-0.261	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCCO1	1895633049	VRDQUYODDPAYSJ-SSDOTTSWSA-N	203.242	-0.981	50	10	BBGE	
CN1CC[C@H]1COCc1ccc(B(O)O)s1	1899515925	PQDUUHBKZIYLRC-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CC#CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1901375592	OEQREAJKYOINAF-MRVPVSSYSA-N	247.320	-0.960	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@@H](F)C1	1904998593	GTBGPWRORCSTEW-DTORHVGOSA-N	231.271	-0.166	50	10	BBGE	
COc1ccc([C@@H](N)B(O)O)cc1OC	1912278041	PUDYVMRPCMQDSN-SECBINFHSA-N	211.026	-0.284	50	10	BBGE	
CCn1ccnc1CN(C)CC(=O)NN	1913377468	AWXHLPNARTZYBE-UHFFFAOYSA-N	211.269	-0.675	50	10	BBGE	
CC[S@](C)(=O)=NCc1cccc(B(O)O)c1	1913884965	XHDWCZZYTVQNPT-INIZCTEOSA-N	241.121	-0.016	50	10	BBGE	
CO[C@H]1CCN([C@H](C)C(=O)NN)C1(C)C	1914330080	HBNOYOVFHFANKS-SFYZADRCSA-N	215.297	-0.136	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NN)C1	1928135102	RHBYLMIJSUIWCZ-RQJHMYQMSA-N	235.309	-0.485	50	10	BBGE	
O=C(CCCl)NC1(c2nn[nH]n2)CC1	1931223599	UYSPFRXZEUIUSF-UHFFFAOYSA-N	215.644	-0.066	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccc(O)c(O)c1	1935728694	WWSWUVYQUTYEDS-UHFFFAOYSA-N	225.204	-0.660	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936088049	JFOLLMNHIUHHPL-YIZRAAEISA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)[C@H](C)C(=O)O	1936380572	FXIUPSODQIFWJA-WDSKDSINSA-N	248.304	-0.004	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)OCC(F)(F)F	1937150843	OTDDVCOGUBYKRG-YFKPBYRVSA-N	245.201	-0.583	50	10	BBGE	
CCN(CCN(C)C)CC1(C(=O)NN)CC1	1938230622	KNTVTOSZQRCNHF-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
C[C@@H]1SCCN(CC2(C(=O)NN)CC2)C1=O	1938249564	WMSNMXXBFZNPCA-ZETCQYMHSA-N	243.332	-0.280	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1938376836	VVLLXUIVMJHDSH-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
CN(C[C@@H]1OCCC1(C)C)C(=O)C(=O)NN	1939293571	SKYHTBGOGCPOMN-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@]2(C1)CC2(F)F	1939536747	PNUCNITXPSCNCN-XRGYYRRGSA-N	233.218	-0.330	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H]1COCCO1	1940287250	KTZZNHVYIUDEFG-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
COC[C@]1(CN2CC(=O)OC(=O)C2)CCCO1	1941835536	BHAFZRCPQWTLEZ-LLVKDONJSA-N	243.259	-0.433	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1CCCC(=O)NN	1942612066	CRSBFIOORLCPHE-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2CCOCC(=O)NN	1942996812	HFCVDHGNBITBHE-KCJUWKMLSA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@@H]1CO	1944080949	VQCHGWWMFOSWKQ-GHMZBOCLSA-N	235.287	-0.216	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951018175	JLBRRDKSIGTHGA-XWLWVQCSSA-N	241.335	-0.154	50	10	BBGE	
CC[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1958870804	SAJLNSASCSMDGC-NTSWFWBYSA-N	217.030	-0.925	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCn2ccnc2C1	1978924219	ZQSMFXSIWBMMQT-LURJTMIESA-N	223.236	-0.855	50	10	BBGE	
CCCN(CCC#N)CCOCC(=O)NN	1980731988	WRMYLWHRUTZGOP-UHFFFAOYSA-N	228.296	-0.381	50	10	BBGE	
CCCN1CCCN([C@H](C)C(=O)NN)CC1	1980743124	FWTPBKDJNZQNTK-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
Cn1cnc2c1CN(CCC(=O)NN)CC2	1980863170	SDLKGDMCSPTTKH-UHFFFAOYSA-N	223.280	-0.842	50	10	BBGE	
Cc1ncnc(N2CCSCC2)c1B(O)O	1981446061	SFAXWMPATDYJLU-UHFFFAOYSA-N	239.109	-0.982	50	10	BBGE	
CN1C[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](Cl)C1	1982230185	JUPIGDBBISLXGU-KGDYZURWSA-N	244.722	-0.084	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	1984029987	AMDDYZQLFTVWAZ-SGIHWFKDSA-N	227.308	-0.544	50	10	BBGE	
NC(=O)NNC(=O)c1cccn2nncc12	1986954138	CXRSLNVSBWFWHN-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([N+](=O)[O-])C1	1989301023	RBBJPSDXYXXREU-QMMMGPOBSA-N	230.268	-0.648	50	10	BBGE	
C[C@H](CN(C)CC[C@H]1CCOC1)C(=O)NN	1991027649	XHZNXCNBLBEOQG-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
N=c1nc2ccc(=NC[C@H]3C[C@H]3Cl)[nH]n2[nH]1	1991439543	STOIUUOQEGZAMP-PHDIDXHHSA-N	238.682	-0.002	50	10	BBGE	
COC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1Cl	1991678582	GMVVGQIUROOYTR-PBXRRBTRSA-N	249.650	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2cc(F)cn2)O1	1992089954	LRDSYLDEOLTRJQ-YUMQZZPRSA-N	228.227	-0.440	50	10	BBGE	
C=C(CN(C)C[C@@H]1CCCS1(=O)=O)B(O)O	1992145008	DUXXZNBOLGWODH-VIFPVBQESA-N	247.125	-0.936	50	10	BBGE	
CC1(C)C[C@@H]1COc1ncc(B(O)O)cn1	1992226447	XHFOTLTWFBVGKQ-SSDOTTSWSA-N	222.053	-0.419	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@@]1(C)CC(=O)N1	1994950056	QSMOKQZYCVDORD-MLUIRONXSA-N	247.682	-0.282	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(F)C[C@H]1C	1995036358	MCAVGFPBWHZYTL-MRTMQBJTSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1CCCO	1995117197	GBVJKSZYTKDYNQ-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@H]21	2000717084	OBPKAWUYTWRYAI-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@H]21	2000718184	UYRPUDAQJBJQLQ-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CC(C)(C)C(=O)NN)C2	2001049179	LHLCMDVDTVSTIV-CABZTGNLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(CCOCC(=O)NN)C1	2001933728	PWIBPOVJAZFJRT-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncnn1CC	2002657324	KBVGYHHQNKJDQX-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC2(CCOCC2)C1	2002822179	IHIRMNVCPARFEO-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
OB(O)c1cncnc1N1[C@H]2CCC[C@H]1CC2	2004916195	IXEDILKMAOIZAH-IUCAKERBSA-N	233.080	-0.322	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@H]3C2)c(F)c1	2005014505	MJMZLPVJXYSYLC-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
Cc1nc(N2CCCCCO2)ccc1B(O)O	2005017860	LEMCDUYSJFSHFE-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
NC(=O)NNC(=O)c1ccnn1[C@@H]1CC1(F)F	2008765457	OABVIWIVJPDZNN-RXMQYKEDSA-N	245.189	-0.224	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OC(F)(F)F	2011328780	VPDPSYDWKBPNID-UHFFFAOYSA-N	249.937	-0.037	50	10	BBGE	
CC[C@H](OC1CC(n2cnnc2)C1)C(=O)NN	2012099586	MDOZPYTXBDSKCM-HACHORDNSA-N	239.279	-0.233	50	10	BBGE	
CCN(CCF)c1nc(C)nc(C)c1B(O)O	2012671340	BQNQOIUVGGKKTF-UHFFFAOYSA-N	241.075	-0.431	50	10	BBGE	
CC1(C)CN(CCCCC(=O)NN)C(=O)CO1	2018698218	NTYFRYLWIYUYLK-UHFFFAOYSA-N	243.307	-0.216	50	10	BBGE	
CO[C@H](C(=O)N[C@H]1CCC=C1B(O)O)C(C)C	2020058001	WNQQGMLSWFWBSM-UWVGGRQHSA-N	241.096	-0.126	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccccc1B(O)O	2022196349	LAPTVBCXNVUOPW-OIBJUYFYSA-N	237.039	-0.546	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ccc(B(O)O)cn3)C[C@H]12	2025801399	REEQCYCSSFVHBK-WCABBAIRSA-N	232.092	-0.146	50	10	BBGE	
COC[C@H](C)COc1ccc(B(O)O)c(C)n1	2026075252	UGBQHLAWCDAMBA-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2cc(C(C)C)cn2)n1	2052596782	KYJFSOYZSRAGSL-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
CCc1cc(F)c(B(O)O)cc1[N+](=O)[O-]	2060090175	VPKJAXVOWXYNIM-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
N#Cc1cc(B(O)O)c([N+](=O)[O-])cc1Cl	2060103150	QRILIGICIQGCKE-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
O=Cc1c(B(O)O)ccc(OC(F)F)c1F	2060262604	URPHPPMPBMWZLC-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
Cn1cc(C2CN(C[C@@H]3C[C@H]3C(=O)NN)C2)cn1	2074813958	QMTWQOJWZZUJQO-GZMMTYOYSA-N	249.318	-0.555	50	10	BBGE	
CO[C@@H]1CN(C[C@H](Cl)C#N)[C@H](CO)[C@H]1OC	2210312412	GLWUFODDYJZFOJ-ZYUZMQFOSA-N	248.710	-0.176	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)CO1	2212600848	GGWYBFNKXMWRIW-APPZFPTMSA-N	222.053	-0.649	50	10	BBGE	
C=C1CON(c2cc(B(O)O)c(C)cn2)C1	2212603445	GFEIHXKQJJPUEQ-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
CC[C@@H](N)CNc1nccc(B(O)O)c1F	2212604127	MOPFNSCPMUIPMC-ZCFIWIBFSA-N	227.048	-0.950	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C(F)(F)F	2212605424	DIZIKKYQDUHXEL-BYPYZUCNSA-N	234.974	-0.481	50	10	BBGE	
C=CC[C@@H]1CCN1c1ncccc1B(O)O	2212605841	KVEJWUDTSJZGGR-SECBINFHSA-N	218.065	-0.084	50	10	BBGE	
CC=CCCN=c1[nH]ccc(B(O)O)c1F	2212606326	RXWLVWREYKHEER-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213879511	GCXSWIKOEOOEJV-KXUCPTDWSA-N	247.314	-0.204	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncccc2B(O)O)CCN1	2217181509	QUUMXBRSKVGJBY-RKDXNWHRSA-N	236.080	-0.719	50	10	BBGE	
CC[C@H](O)CCN=c1cc(B(O)O)c(C)c[nH]1	2217183933	LOUVXAHBMORYFG-VIFPVBQESA-N	238.096	-0.935	50	10	BBGE	
NCC1(Oc2nccc(B(O)O)c2F)CCC1	2217186060	FOPUXQONJCDENK-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C=C[C@H]1C2	2217203463	VHGLHIHDHCSYPR-ZJUUUORDSA-N	230.076	-0.084	50	10	BBGE	
C[C@H]1CNC[C@H](CNc2ncccc2B(O)O)C1	2223633062	RJGFBNYFLMUQIQ-NXEZZACHSA-N	249.123	-0.581	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)[C@H]1C[C@@H]1B(O)O	2241495331	ISUZAHDAGQUAQS-BUZALDEHSA-N	219.071	-0.506	50	10	BBGE	
C=C(C)CCNC(=O)c1nscc1B(O)O	2243350339	ZOHJCABNYOQMBB-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(N1CC=C(CO)CC1)C1(B(O)O)CC1	2243365867	UCCUULMPCFUBLM-UHFFFAOYSA-N	225.053	-0.856	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)cs2)[C@H]1C	2243386290	XTIWFCWBHVFRCX-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243391971	PZMVILWUABHQTJ-XHNCKOQMSA-N	228.101	-0.661	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@@H]1O	2243399300	YPHGOJLUVDDPBL-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
C=C(CS(=O)(=O)NCC1[C@@H]2CC[C@@H]12)B(O)O	2243412250	JCLKWJAXFPGSAC-HTQZYQBOSA-N	245.109	-0.870	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NOC(C)C)s1	2243427456	VVOXXDAFDSJEJN-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
C=C[C@@H](C)Oc1nc(OC)ccc1B(O)O	2244126557	DLGKGKTUAYBMHY-SSDOTTSWSA-N	223.037	-0.277	50	10	BBGE	
CC#CCN(C)C(=O)c1cocc1B(O)O	2244214195	OXZRPNYMNPEZCR-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C)[C@H](C)C(=O)NN	2245139918	IQNWDBVJYXPOQN-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]1CF	2247735315	LOMFVZRAIJDUBA-SSDOTTSWSA-N	241.027	-0.548	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1ccoc1B(O)O	2247737022	BDOWKTYWTOXQBA-YUMQZZPRSA-N	241.027	-0.420	50	10	BBGE	
CC12CC(CN1C(=O)c1cc(B(O)O)c[nH]1)C2	2247740346	JFCRJIHSQSKKTD-UHFFFAOYSA-N	234.064	-0.681	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2247743417	DCDDJHTVOIJFAT-VWYCJHECSA-N	235.092	-0.104	50	10	BBGE	
CC[C@H](NC(=O)c1occc1B(O)O)C1CC1	2247746063	SWAVHKIEBQYEHQ-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1ccnnc1	2247750549	LAOWCXDKMKZUTG-UHFFFAOYSA-N	235.052	-0.164	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)c(F)c1	2247760271	FOUOTPUEDJSAJP-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CC(C)ONC(=O)c1ccc(B(O)O)c(F)c1	2247760619	KXTVTIYHHHRIOF-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2247780824	FPEWTUDGRZEZEN-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786824	GZXKISPCURBJQE-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788022	YBYMLPLBSQGTCY-QEYWKRMJSA-N	243.112	-0.237	50	10	BBGE	
COC[C@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)OC	2247798393	SZASXBSBZRUWAB-DJLDLDEBSA-N	245.084	-0.983	50	10	BBGE	
CN(CC1CCOCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247799265	BINZPWLLVQYZGV-NXEZZACHSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C(=O)[C@@H]2CCCC[C@@H]21	2247806841	GNJQZCNPOKTKAK-HXFLIBJXSA-N	237.064	-0.223	50	10	BBGE	
Cc1[nH]nc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1C	2247807619	RHHCHALHGMMNCN-JGVFFNPUSA-N	237.068	-0.494	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247809240	YLMDQHFFGNDWHT-UTINFBMNSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1cc(B(O)O)c[nH]1	2247846295	DEJRTYXGEOAKNW-HTQZYQBOSA-N	234.064	-0.777	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247852012	NMERESSPOCMWTI-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1NC(=O)C1(B(O)O)CC1	2247871497	CAFLVARBYFMFJO-YUMQZZPRSA-N	240.112	-0.646	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC2(COC2)C1	2247887909	TVPUABJUMGRMAS-IUCAKERBSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1CO[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894938	MJKDLIUBKIYOKU-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896325	YICKIDSNNRDXOM-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247896746	JXFHTKJTJWQZCP-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CC=CCO2)C1	2247900775	ZMFRQUJRCAOQBC-RKDXNWHRSA-N	237.064	-0.593	50	10	BBGE	
CC1(C)OCCN(CCCC(=O)NN)[C@H]1CO	2247990517	USKLCEOKJRBDDQ-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CC(=O)O)CC1	2248575703	HJWMTYVDBWKKMM-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
O=C(NCC1CCCC1)c1ccncc1B(O)O	2255452786	MMXIRSNNLSCIFX-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1occc1B(O)O	2255488344	BYKNVXHSGHTDBI-OYSVPNSUSA-N	247.059	-0.656	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ncccc1B(O)O	2255514163	DUQFNQHCYONPRT-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)[C@H]1C[C@@H]1B(O)O	2255571348	OICLXVTYAXEHHK-KZVJFYERSA-N	249.079	-0.365	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671176	NOPPZCFNENCSQP-OYNCUSHFSA-N	248.091	-0.387	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1(C)COC1	2255682024	AOONDIOXCDGRED-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CCC[C@@H]21	2255692113	SJSZTXIZAUEIKJ-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(F)c(B(O)O)c1	2255719625	HRXFEKZHBMPVON-JTQLQIEISA-N	249.050	-0.212	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1n[nH]cc1B(O)O	2255765314	OEHZCGMKPYBRCJ-RDDDGLTNSA-N	249.079	-0.991	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(B(O)O)cc1O	2255951242	BGJYWOKIQCDIJF-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1cc(B(O)O)co1	2258128276	PGOYAIVBKFGTPK-ZDJQOSGVSA-N	247.059	-0.656	50	10	BBGE	
CC[C@@]1(O)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298166102	SNVDQDZNNLVOPD-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CCO[C@H]2C1	2298166156	XCHNNCUMROOGQN-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@@H]2CCCO[C@@H]21	2298224780	CWUCNGAARVKAMU-HGNGGELXSA-N	234.064	-0.649	50	10	BBGE	
COC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C	2298368471	GSIRGPLKPLRSPU-JLIMGVALSA-N	241.096	-0.410	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCC[C@@H]1O	2298370489	AEVXTPMCYNKZRR-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)C1	2298376579	DURDDVUTZNRROW-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
CC(C)NCCOc1cc(B(O)O)c(F)cn1	2303852051	ISEIZNBRSRZVNT-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
O=C1N[C@@H](CN2CC[C@@H](B(O)O)C2)CC1(F)F	2304496251	FQCWKYFBNKRCDW-RNFRBKRXSA-N	248.038	-0.941	50	10	BBGE	
C#Cc1ncccc1NC(=O)[C@H]1C[C@H]1B(O)O	2305015105	MHWMEQKEWKUZFC-JGVFFNPUSA-N	230.032	-0.136	50	10	BBGE	
O=C(NC[C@@H]1O[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2307489388	UBFBAXGPUACAHK-OEZYJKACSA-N	239.080	-0.467	50	10	BBGE	
CNC(=O)C(=O)N/N=C/c1ccc(O)cc1	7812977	DSLXAQBNDDIBDR-WUXMJOGZSA-N	221.216	-0.412	50	10	BBGE	
CCNC(=O)CNC(=O)NC(=O)CCCl	36779884	MINQUOHSMYDBLX-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
Cc1ccccc1CN(C)C(=O)C(=O)NN	42436163	RWIWASNNMXLUMD-UHFFFAOYSA-N	221.260	-0.057	50	10	BBGE	
C[C@@H](Cc1cccs1)NC(=O)C(=O)NN	70852736	BICFAQSYTJLNKL-LURJTMIESA-N	227.289	-0.215	50	10	BBGE	
NNC(=O)Cn1cc(Cl)ccc1=O	71515796	SQECJSMUURRNDG-UHFFFAOYSA-N	201.613	-0.508	50	10	BBGE	
NNC(=O)COCc1ccc2c(c1)OCO2	82463770	MNKBJZZJMHOAOM-UHFFFAOYSA-N	224.216	-0.078	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(N(C)C)CC1	82467670	KNXNWRYPQKXBMT-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
NC(=O)[C@H]1CCCN1S(=O)(=O)CCl	82512336	HVEQDYOYXCXVAF-RXMQYKEDSA-N	226.685	-0.538	50	10	BBGE	
NC(=O)C[C@@H](N)c1nnc(CCCl)o1	83349588	KBRQITCZQPFVNM-SCSAIBSYSA-N	218.644	-0.274	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)CSC	89994160	WQLOCNCFDJLLMR-ZCFIWIBFSA-N	220.294	-0.078	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H](N)C2)c1	110591505	RJBQJHUBWVBEAK-SECBINFHSA-N	238.291	-0.194	50	10	BBGE	
O=c1[nH]c(=O)n(CCOCCCl)cc1F	142701523	HSJLBBVHWNYGSX-UHFFFAOYSA-N	236.630	-0.069	50	10	BBGE	
NC1CC([C@](N)(CCCCB(O)O)C(=O)O)C1	199744714	JJWPNUYEQUHMCS-SFVIPPHHSA-N	244.100	-0.851	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NS(=O)(=O)CCl	229037474	OJOVLNHYZQOHGK-ULHQUTTKSA-N	233.742	-0.131	50	10	BBGE	
NCCCNS(=O)(=O)CCCl	232299011	CAICTMSTDFKOQU-UHFFFAOYSA-N	200.691	-0.507	50	10	BBGE	
COC[C@H](Sc1ccc(N)cn1)C(=O)NN	232421556	KPOUTOOOJYIFGY-ZETCQYMHSA-N	242.304	-0.239	50	10	BBGE	
CC(=O)Nc1cnc(C(=O)NN)s1	238098503	YGWWERIDJMYPID-UHFFFAOYSA-N	200.223	-0.295	50	10	BBGE	
CC(C)(N)Cc1ccc2c(c1B(O)O)OCO2	258259852	NLBGDEFTEPPVTD-UHFFFAOYSA-N	237.064	-0.625	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2[nH]c(=O)oc2c1	259061715	WSNRYDIONINWAW-ZCFIWIBFSA-N	236.231	-0.499	50	10	BBGE	
CC(C)(CSCC(N)=O)C(=O)NN	300869141	WXIXIPVMINEITF-UHFFFAOYSA-N	205.283	-0.779	50	10	BBGE	
Nc1c(O)ccc2cc(B(O)O)sc12	307090999	QJHSBPNSRYHIHN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NCCc1c(F)ccc(B(O)O)c1F	307462200	FXHCGUXPRLHUCH-UHFFFAOYSA-N	200.981	-0.854	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	309284018	OAVQCMGWHSXOTI-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CCNC(=O)NNC(=O)c1cncnc1N	309305514	VNWWPMOTYSFWBA-UHFFFAOYSA-N	224.224	-0.977	50	10	BBGE	
Cn1cnnc1[C@H]1CCCN1CCC(=O)NN	310433762	QUFMYZPZXYBTMJ-MRVPVSSYSA-N	238.295	-0.668	50	10	BBGE	
CC(=O)NNC(=O)CNC(C)(C)C1CC1	380336930	QGJUNLQOPILAGX-UHFFFAOYSA-N	213.281	-0.068	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@](C)(CN)C1	380791576	FGJQBFFGPSUFQM-NGZCFLSTSA-N	228.340	-0.328	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@]1(C)CN	390055930	NLLLCYQHAANDPZ-GXSJLCMTSA-N	228.340	-0.327	50	10	BBGE	
O=C(O)c1ccc2nc(B(O)O)oc2c1	396113184	NJFMLDRUADDJDJ-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1C(=O)O	396131477	DNFUUDWIEIGTRW-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
CC[S@](=O)Nc1cccc(B(O)O)c1	405066091	VMCYRLUATLBRTQ-AWEZNQCLSA-N	213.067	-0.538	50	10	BBGE	
CN(C)C(=O)N(C)Cc1cccc(B(O)O)c1	405148019	OPRSOLKGGHJDAC-UHFFFAOYSA-N	236.080	-0.520	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)cc1F	405164963	KPKBVNUWCWCSAI-UHFFFAOYSA-N	238.027	-0.187	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)[C@H](COC)C(=O)NN	688156297	GXPUZIDCWROMJF-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCSC[C@@H]1CCO	689852566	VSYRUTTYHRQOKZ-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
NNC(=O)CCCN1CCSCC1=O	691026978	HSLXFHPWDKVPLR-UHFFFAOYSA-N	217.294	-0.668	50	10	BBGE	
COC[C@H](CN(C)C[C@H](C)C(=O)NN)OC	691284640	DUATXHRERCSZKA-IUCAKERBSA-N	233.312	-0.794	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC(N)CC1	695088047	RNWNEGOEUPGUMM-SNVBAGLBSA-N	228.340	-0.186	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCN2CC[C@H]1C2	695088882	WEAIWTOTSYEDAQ-QWRGUYRKSA-N	240.351	-0.219	50	10	BBGE	
COc1ccc(CN2CC(C)C2)cc1B(O)O	698566483	YGAIVARMSJIDCV-UHFFFAOYSA-N	235.092	-0.173	50	10	BBGE	
CN(C(=O)CCl)C1CC(C(N)=O)C1	703512985	CLRJACGVMFMWCZ-UHFFFAOYSA-N	204.657	-0.053	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1CC(C(N)=O)C1	703532172	ZXKQEIBZGNRWGA-AMDVSUOASA-N	242.323	-0.803	50	10	BBGE	
CCCCSCC(=O)NCB(O)O	706509218	VGQWHWUEGPHLNV-UHFFFAOYSA-N	205.088	-0.352	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCC[C@@H]21	706938010	LLWLDXVQZBWTTL-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
C=CCOCOc1ccccc1B(O)O	707371509	ODLNREUHKNEMIN-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
Cc1coc(C(=O)Nc2cccc(B(O)O)n2)c1	718558475	KRUXZKKYTMXUCC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1CCC[C@H](NC(=O)NCB(O)O)C1	725658831	DJYNEKHYFNOVGY-YUMQZZPRSA-N	214.074	-0.124	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1ccnc2[nH]nnc12	773707297	QZJOUPFEEFGUDI-UHFFFAOYSA-N	246.230	-0.476	50	10	BBGE	
COC(=O)NNC(=O)C1CCN(OC)CC1	824495480	DBHWVBSMPBALSY-UHFFFAOYSA-N	231.252	-0.353	50	10	BBGE	
COc1cccc(NNC(=O)c2nnn(C)n2)n1	1152028403	PXZLOTZJXURBOA-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
O=C(COC1CC1)NNc1ncnc2[nH]cnc12	1472517933	QWBREOMWNXBAKQ-UHFFFAOYSA-N	248.246	-0.025	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)[C@@H]2CCCCO2)C1	1641521472	PUWXECFWNKSKTL-VIFPVBQESA-N	240.259	-0.318	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C[C@H](Cl)C#N	1882314653	CEZZSEGWFVSDHJ-RNFRBKRXSA-N	201.657	-0.062	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@H](O)C1	1882906040	DAFRFVZQZJDNOJ-DSYKOEDSSA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883552811	OKUAWHASHHKOCX-GBNDHIKLSA-N	206.673	-0.562	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1nn[nH]n1	1883565405	BQOAJCUSPMMMPV-QWWZWVQMSA-N	201.617	-0.443	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC([C@H](O)CO)C1	1887182601	UPGXFWZYNUCGGB-GJMOJQLCSA-N	219.668	-0.575	50	10	BBGE	
Cn1cc(S(=O)(=O)CCN=C=O)cn1	1890416574	LQYBMQPIGLYQRN-UHFFFAOYSA-N	215.234	-0.470	50	10	BBGE	
CSCCN(C)CC(=O)NNC(C)=O	1892436840	WSNMLDZFTMXIKF-UHFFFAOYSA-N	219.310	-0.552	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC(CO)CO	1893411421	XENWCYGCXXYCOZ-UHFFFAOYSA-N	221.640	-0.975	50	10	BBGE	
C[C@@H](NC(=O)C=CC(=O)Cl)[C@H](O)CO	1893418072	VYFTXAIWVLYKRU-PHDIDXHHSA-N	221.640	-0.834	50	10	BBGE	
Cn1c([C@@H]2C[C@H]2Cl)nnc1S(N)(=O)=O	1893471208	ZUIZOAHSJXYDDW-QWWZWVQMSA-N	236.684	-0.443	50	10	BBGE	
N#CC1(O)CCN([C@@H]2C[C@H](N)C[C@H]2O)CC1	1894691492	MWJKXOMQFRHWGF-IVZWLZJFSA-N	225.292	-0.813	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CC(F)(F)C(=O)NN)C1	1895962175	OVFQQPGVJBSPCW-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC2CC1C2	1900454089	HSGPUURESVYCRG-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
C[C@@]1(O)CN(C(=O)CCCl)CC[C@H]1O	1901104765	JFEMDYCYWDEVNH-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H]1CC[C@H]2N)S(C)(=O)=O	1901344753	VWXOJGLRTSWCJU-LKEWCRSYSA-N	247.320	-0.964	50	10	BBGE	
CC(C)=C(CN1[C@H]2C[C@@H]1CN(C)C2)B(O)O	1901616933	LTIPQPFAYBBLGF-AOOOYVTPSA-N	224.113	-0.277	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H]1C[C@H](O)C1)C(=O)NN	1902715595	IOXHAFLTGSZABZ-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	1904687508	FUIMYMLHUFUZQZ-HLTSFMKQSA-N	228.101	-0.742	50	10	BBGE	
CO[C@H]1CCN(CC(F)(F)C(=O)NN)[C@H]1C	1914345423	FXOWCDKQWFYOFO-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1C(F)(F)F	1916176936	RKAKQUJUJFFHSE-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
C[C@@H](CCO)N(C)[C@H](C)CC(=O)NN	1917043990	ZICJYSYJWFGFBC-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCON)CC1	1917092064	PAQSEZWASFQYBU-UHFFFAOYSA-N	231.277	-0.638	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CN[C@H](C)C1	1921520209	HNJZQWNWDPNTMH-DTWKUNHWSA-N	242.323	-0.917	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]1CO	1927918291	QVMGKMXQYBKHTI-HRDYMLBCSA-N	213.281	-0.931	50	10	BBGE	
C[C@]1(OC[C@@H]2C[C@H]2C(=O)NN)CCOC1	1928536969	MZNFSRHFITYHIJ-XKSSXDPKSA-N	214.265	-0.192	50	10	BBGE	
O=C(CCCl)N1C[C@]2(CO)C[C@]2(CO)C1	1928556238	FPKHFVJBPFSOPB-AOOOYVTPSA-N	233.695	-0.181	50	10	BBGE	
COc1ncccc1C(=O)NNCCO	1929837188	WBRRZHQFKCRRJE-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
CO[C@H](CNC(=O)NN)C1CCOCC1	1930525302	FLIQTHLNISDICA-MRVPVSSYSA-N	217.269	-0.399	50	10	BBGE	
Cn1nnnc1N1C[C@H]2C[C@@]1(CCl)CO2	1931128120	ILWYLZJUNLFPHP-HTRCEHHLSA-N	229.671	-0.203	50	10	BBGE	
C[C@H]1OCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1936092616	VYVCAKPXSHWALK-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
COCCN(CCOCC(=O)NN)C1CC1	1936534334	JTBJFAVVYOSHBK-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2COC[C@@H]2CCl)n1	1937177745	SQVBTIFRPODHCD-NTSWFWBYSA-N	245.670	-0.806	50	10	BBGE	
NNC(=O)C1(Cn2cc(F)ccc2=O)CC1	1938234516	XGQGKGRADNALEN-UHFFFAOYSA-N	225.223	-0.243	50	10	BBGE	
N#Cc1cccc(OCCOCC(=O)NN)c1	1941772188	FQKSXARPIXCXSX-UHFFFAOYSA-N	235.243	-0.056	50	10	BBGE	
Cc1nnc(CN(C)C[C@H](C)C(=O)NN)n1C	1943111908	RYVUSMUNXFSHJY-ZETCQYMHSA-N	240.311	-0.819	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCN(C)CC1(C)C	1945279963	GILOZOKIWZXJBK-VIFPVBQESA-N	244.339	-0.983	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCOC1(C)C	1948230990	QVFDOSCEZDINNE-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C)(CN)CC1	1950155304	OBPSWEDNHAHXJA-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
OB(O)[C@@H]1CCN(CC2=CCCOC2)C1	1951320161	FDEOSBCHNAHSHU-SNVBAGLBSA-N	211.070	-0.118	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12COC[C@@H]1C2	1951320196	FZJKKMKDFJLJFK-OYNCUSHFSA-N	225.053	-0.902	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)CCl	1951637927	BDKYYCGHRDFXBN-NKWVEPMBSA-N	243.712	-0.865	50	10	BBGE	
O=C(CCl)N1CCO[C@H](CCO)C1	1954100346	ORKDBXKRZYDBRS-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1COC[C@H]1O	1954239041	LQTLBSFLVVPQKC-RRKCRQDMSA-N	207.657	-0.120	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CONC1=O	1954507997	UAHMCKRYLLWJIB-WHFBIAKZSA-N	206.629	-0.450	50	10	BBGE	
C[C@H]1[C@@H](C)N(C(=O)NN)CCS1(=O)=O	1956772293	KZTBSBPDIBFZKJ-RITPCOANSA-N	221.282	-0.923	50	10	BBGE	
Cn1ncc(S(=O)(=O)N2CC(Cl)C2)n1	1956896772	RMLLYPZKWJSEIZ-UHFFFAOYSA-N	236.684	-0.573	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCn1cnnn1	1957318453	NIVRXVNIAWYCAW-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCn1cnnn1	1957318454	NIVRXVNIAWYCAW-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
COc1cc(C(=O)NNC(N)=S)ccn1	1957720835	AUACIBUIWFOJBY-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2CC[C@@H]2O)[nH]1	1958989181	GVNHPWVDSVXSFS-UHNVWZDZSA-N	229.671	-0.620	50	10	BBGE	
C=CCCOCCn1cc(B(O)O)cn1	1959862518	UJHOFUCLGDPVTJ-UHFFFAOYSA-N	210.042	-0.844	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	1960963074	FPFODDGVBIIJIB-HRDYMLBCSA-N	212.297	-0.857	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCc1nnnn1C	1974680765	DLLHNSIAZPAKHR-ZCFIWIBFSA-N	231.687	-0.114	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@](F)(C(F)(F)F)C1	1976182707	FIHRTJDVNDWKOQ-LURJTMIESA-N	243.160	-0.521	50	10	BBGE	
O=C(NCB(O)O)c1ccn2ccnc2c1	1978920467	SSVOGQDFGNOUSK-UHFFFAOYSA-N	219.009	-0.924	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1c[nH]c(=O)cn1	1979658662	VRHQLZWYFXHNAA-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
NNC(=O)N1CCO[C@H](C2CCOCC2)C1	1981088906	OPEFICVDMYQPSU-VIFPVBQESA-N	229.280	-0.303	50	10	BBGE	
Cc1nc(N(C)CCCF)ncc1B(O)O	1981446813	DOYABONOJABOAJ-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
Cn1cc(Sc2ccc(B(O)O)cn2)cn1	1981454155	DVQGVJHRKRPSEL-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](F)[C@@H](CO)C1	1983560426	UNJJAEAJMWUAGO-RBXMUDONSA-N	233.287	-0.737	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1OCC[C@@H]1F	1984336515	AEJYWQJMDWMPNF-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H](CN(C)CC[C@@H]1CCOC1)C(=O)NN	1991027648	XHZNXCNBLBEOQG-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1OCC[C@@]1(O)CNC(=O)C=CC(=O)Cl	1991652927	SWJBKHPYUOLZIK-GMSGAONNSA-N	247.678	-0.036	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(O)CCOCC1	1991706060	LRTLUACMMUQEBC-OWOJBTEDSA-N	247.678	-0.034	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CCOC[C@@H]2F)CC1	1991730616	JUZLGHNEWQAKBU-JGVFFNPUSA-N	232.255	-0.100	50	10	BBGE	
N#CC1CN(Cc2ccc(C(=O)NN)cn2)C1	2000606840	BXHNGJSIYCUBEX-UHFFFAOYSA-N	231.259	-0.360	50	10	BBGE	
CO[C@@H](C)CCOc1cnc(C)c(B(O)O)c1	2001120467	MLLOTAINGOSBKU-QMMMGPOBSA-N	239.080	-0.126	50	10	BBGE	
CCC[C@H]1CCCN1c1ncc(B(O)O)cn1	2004911871	LYWBWNYCNFKOHS-JTQLQIEISA-N	235.096	-0.075	50	10	BBGE	
CN(c1ccncc1B(O)O)C1CCOCC1	2004935880	RCULHDWQOZBVNF-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CCN(c1ncnc(C)c1B(O)O)C1CCC1	2004976184	JLTZOFLNBHDQHQ-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
Cc1ncc(OC[C@@H](C)N(C)C)cc1B(O)O	2008385007	ZICGRIAJGSZTTF-MRVPVSSYSA-N	238.096	-0.601	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2CC[C@@H]2N)CC1	2011703423	PTQGNJXDTIIXEY-UWVGGRQHSA-N	237.303	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N2CCCC[C@H]2C1	2013241542	QVCPRAFJQUJIAX-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC(CF)C1	2022196410	LVJRTSRNGRUACN-UHFFFAOYSA-N	237.039	-0.592	50	10	BBGE	
COC[C@@]1(C)CCCN1CC(=O)NNC(C)=O	2024858489	KDFWWJSTFVCTOW-LLVKDONJSA-N	243.307	-0.345	50	10	BBGE	
CN(CCn1ccnc1)c1ccncc1B(O)O	2052467998	XTXOFJJRBVFISO-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@H]2CCC[C@@H]21	2052487742	PIWBWFDDTKPSCM-RYUDHWBXSA-N	248.091	-0.481	50	10	BBGE	
Cc1cnccc1Cn1cccc(B(O)O)c1=O	2058156384	QNYRRPYUHGCCQV-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCOc1c(C=O)ccc(C)c1B(O)O	2060141424	MTBIWORTRZZOQB-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=C(CCn1ccnc1)N[C@@H]1CCC=C1B(O)O	2076077573	ZZDOCKZMAOVCIG-SNVBAGLBSA-N	249.079	-0.510	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1CCC[C@@H]1O	2209418071	YQUURHBUOXEQHT-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(F)CCOCC1	2212152663	MEBALLGSPGTONN-MRVPVSSYSA-N	233.287	-0.185	50	10	BBGE	
C[C@H](CN(C)C[C@]12COC[C@H](C1)C2)C(=O)NN	2215264923	HAGGFQYXJUONFL-FOGDFJRCSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CCN1C	2215774726	DXADNDZAUANUSY-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2CCCOCC2=O)CCC1	2216496383	BDQLKYKYCYENAA-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
CC(C)c1ncn(-c2cc(B(O)O)ccn2)n1	2217169103	BNJPAQORJOLXNU-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
CC[C@H](C)[C@H](N)COc1ncccc1B(O)O	2217172161	IYCRDZUMCVUDOB-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1NCCc1cocn1	2217175840	OADLIOMCWIVWSZ-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
C[C@H]1CCN[C@@H]1COc1ncccc1B(O)O	2217182829	CXITZUNHDCHKRQ-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](C)[C@H](CN)Oc1ncccc1B(O)O	2217186089	FYPBVQVTKLQUKP-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
CC1CC(N)(COc2ccc(B(O)O)cn2)C1	2217188702	SAZVZEDYTDDUGD-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@](C)(N)COc1ccc(B(O)O)cn1	2217192521	YXPIVFMXIWSPDM-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)CN(C)C	2217201876	FYEGQPOJEPSBPW-SECBINFHSA-N	237.112	-0.629	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1Cc1cccc(B(O)O)c1	2220063486	LUEMIALXGUOKFN-ZWNOBZJWSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cccc(CN2CCCC23CNC3)c1	2220072475	ODLPLLGOOMGKCJ-UHFFFAOYSA-N	246.119	-0.696	50	10	BBGE	
OB(O)c1cccnc1OC1CC2(CCNC2)C1	2223625619	JRXIGTPZGLXKEH-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2COC3(CCC3)C2)c1	2223659810	IUNVOPBYFSMMNQ-SNVBAGLBSA-N	249.075	-0.148	50	10	BBGE	
CC[C@@H]1CN(c2ncccc2B(O)O)CC[C@@H]1N	2223666202	KWUFENDRKQTNRK-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
CN(C)C[C@H]1C=CCN1c1ncccc1B(O)O	2223667914	VWAIVBQMXVXCJN-SNVBAGLBSA-N	247.107	-0.932	50	10	BBGE	
Cc1ncc(CCNc2cc(B(O)O)ccn2)o1	2223673100	WKKXKLCBYINFOU-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
CCn1ccnc1CNc1ncccc1B(O)O	2223676052	VQYGSMMSXHMMPS-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCCC[C@H]1C2	2224029430	IOKWIHJZSOCXSD-CABZTGNLSA-N	248.091	-0.497	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)[C@H]1C[C@H]1Cl	2242105126	BHYNMNPQXBSCGA-BIIVOSGPSA-N	220.700	-0.348	50	10	BBGE	
CS[C@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2243349912	SJWMEQHJMCRQRY-IUCAKERBSA-N	241.121	-0.208	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC(C(F)F)C1	2243349990	UCKWPOWNCILNGM-UHFFFAOYSA-N	231.007	-0.496	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ccoc1B(O)O	2243350219	XPNDSJKOYKSNOW-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2N1C(=O)C1(B(O)O)CC1	2243364065	QHPQUMSZSMKNPD-RQJHMYQMSA-N	223.037	-0.469	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2CCC[C@H]21	2243400953	KCMYOLSONFXHHL-NXEZZACHSA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1C[C@H](N)CN1C(=O)C1CC(B(O)O)C1	2243413553	IXAXFHDBGDKGLT-KRTGUUSXSA-N	226.085	-0.813	50	10	BBGE	
CCn1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2243415481	VURPPWATVRTFSX-YUMQZZPRSA-N	223.041	-0.296	50	10	BBGE	
COC[C@@]1(C)C[C@H]1NC(=O)C1(B(O)O)CC1	2243791242	YURTYJRLENWWKC-VXNVDRBHSA-N	227.069	-0.465	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)NC(=O)CCl)C(N)=O	2246270290	XIRCBZLLORJVTE-IYSWYEEDSA-N	249.698	-0.049	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ccccc1B(O)O	2246744726	SKEAPLIIPGIUCO-MRVPVSSYSA-N	234.064	-0.008	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(C)cc1B(O)O	2247752163	JWYWOTKPSLLFFH-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CC1(NC(=O)c2c(F)cccc2B(O)O)CC1	2247752372	ODCKBPQPOYTXLH-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@@H]1N	2247755167	HKLJBCGQKNENFR-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
O=C(N1CCN2CCC[C@@H]2C1)C1(B(O)O)CC1	2247756916	OYUNTGLAAYKGPU-SECBINFHSA-N	238.096	-0.700	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2247758189	UNRLMJOQVXVXMK-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
CCC(C)(C)NC(=O)c1ncccc1B(O)O	2247769926	MEYWVGHWXHSDFX-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)[C@H]1C[C@H](B(O)O)C1	2247790465	HQAWXUOTMIZXJH-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
C=CC[C@](C)(CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247797021	FQKZLDZIRHCPOP-QXEWZRGKSA-N	241.096	-0.460	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC12CCOCC2	2247803855	DGLVZFCNACKVKB-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C(=O)[C@H]1C[C@H]1B(O)O	2247808377	URBHOHPAHONCFB-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
O=C(NCCC[C@@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2247808709	LYVGTNLQDYUVFC-KXUCPTDWSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)[C@@H]1C[C@H]1B(O)O	2247808915	NEBTUVZEVZDCNF-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1cc(B(O)O)c[nH]1	2247850060	JEJWWAYWLFDRPK-VIFPVBQESA-N	234.064	-0.633	50	10	BBGE	
CC(C)(CO)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247859763	OXYYDOOFNUFVKG-DTORHVGOSA-N	243.112	-0.236	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1c[nH]nc1B(O)O	2247860236	UDJRDULICLJSML-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccncc1B(O)O	2247872713	XQSGSQMXNRWNTN-CPCISQLKSA-N	234.064	-0.710	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCNC1	2247877773	KAGWQEDTDQIFEC-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1C1CC1)C1(B(O)O)CC1	2247878322	NOSHKKAJIRDYFE-BDAKNGLRSA-N	239.080	-0.465	50	10	BBGE	
CCCC1CN(C(=O)c2occc2B(O)O)C1	2247878914	QEQSLFVNGJUALL-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C2	2247899442	NJBGGXHVCFBDQL-UFFKNHFXSA-N	239.080	-0.467	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)ccc1O	2248027889	BLOHZMAOYPOORP-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
CC(C)=CC(=O)Nc1ncc(B(O)O)cc1F	2248414309	IFIKADQINAWYJQ-UHFFFAOYSA-N	238.027	-0.195	50	10	BBGE	
O=C(N[C@@H](C(=O)O)C1CC1)C1CC(B(O)O)C1	2248589758	UNSVBLCSWRTXLY-KAVNDROISA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)cn1C	2249301901	WBGPLMVLFBUTIV-SSDOTTSWSA-N	242.059	-0.865	50	10	BBGE	
CCC1(Oc2cc(B(O)O)c(C)cn2)COC1	2250814190	XEFSADFJQAXLBV-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CCc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	2250943903	WACLNHCPYSQQGW-DTWKUNHWSA-N	236.275	-0.568	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	2251026453	SRUMPORRMBCTNT-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)o1)C(C)(C)C	2255468163	WWDGNOTXQTWRAI-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
C=C1CC(NC(=O)c2cccc(F)c2B(O)O)C1	2255499943	FIQIIDBIKYEKHE-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(F)c(B(O)O)c1	2255505628	YLJSLCIRRUJMPU-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1CC12CC2	2255510348	VWCBYOMHRWDHEW-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cccc(B(O)O)c1C	2255512278	XLMVIICXRSWDMU-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1[C@H]2CCC[C@H]1C2	2255520774	OGHLPVDHHGGNIK-QWRGUYRKSA-N	246.075	-0.472	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC12CCC2	2255678756	QRPUKLKWBOCTRR-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@H]21	2255710424	KJIVCSJXAVDWBL-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
Cc1cc(C(=O)N2CC=CCN2)ccc1B(O)O	2255736001	FLRJULXGWIIOGW-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1C[C@@H]2C[C@H]2C1	2255947286	MQLDJGXJLMCJEY-YUMQZZPRSA-N	247.059	-0.836	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2cc(B(O)O)co2)C1	2258130907	NSSDDUZDJJFINF-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1cc(B(O)O)co1	2258131524	VTWJENTWFJSXOX-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CON(CC1CC1)C(=O)c1ccccc1B(O)O	2260384240	ZAFJJEUHOFGFDR-UHFFFAOYSA-N	249.075	-0.220	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@H](C1)C2(F)F	2298369477	VZEAKQXKILQCFJ-DKXJUACHSA-N	245.034	-0.037	50	10	BBGE	
CN(CCC#N)c1ccc(C=O)c(B(O)O)c1	2301452446	HQWWHLVQKBAUIW-UHFFFAOYSA-N	232.048	-0.471	50	10	BBGE	
O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@@H](B(O)O)C1	2303102905	BIYVFCWMCIUBQA-UTINFBMNSA-N	239.080	-0.371	50	10	BBGE	
CC1(C)OCCO[C@@H]1CN1CC[C@H](B(O)O)C1	2303155213	OWUJVUSSHQJRFB-VHSXEESVSA-N	243.112	-0.271	50	10	BBGE	
CCC(=O)N(C)C1CN(CCCC(=O)NN)C1	2307301930	LLHHLJUHDYZURV-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
Cc1ncnc(OC[C@H]2CC[C@@H]3C[C@H]23)c1B(O)O	2310903064	BTGVVZPNQPSRQO-BBBLOLIVSA-N	248.091	-0.110	50	10	BBGE	
CN(CCO)Cc1ccc(C(=O)NN)o1	82468859	HOFNIMCHSWCHOH-UHFFFAOYSA-N	213.237	-0.693	50	10	BBGE	
CC(C)N(CCCO)[C@H](C)C(=O)NN	82470867	WSTRPAPIUXJHHH-MRVPVSSYSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](Oc1ccccc1CO)C(=O)NN	82505798	CWYGBWOEKPSIRV-ZETCQYMHSA-N	210.233	-0.064	50	10	BBGE	
CCOC(=O)C/C(N)=N/NC(=O)OCC	136889732	PKWZEGIBWAKHJN-UHFFFAOYSA-N	217.225	-0.042	50	10	BBGE	
CC(C)(C)n1nnc(-c2ccccc2B(O)O)n1	195992987	SFXHHCUMYSKJHG-UHFFFAOYSA-N	246.079	-0.225	50	10	BBGE	
COC[C@@H](C)Oc1ccc(B(O)O)c(F)c1	203556712	MAAWHDPWHYUYSC-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
O=C(Cl)[C@@H]1C(=O)S[C@H]2CC(=O)N21	210180824	MMTCCZKEGOVAHQ-IUYQGCFVSA-N	205.622	-0.048	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C1CCC1	228568831	LLTNRZBLMJEEHK-VIFPVBQESA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CNS(=O)(=O)CCCl)[S@](C)=O	232301389	YNOIUUOZHSMXRM-INWYIAFRSA-N	247.769	-0.088	50	10	BBGE	
C[C@H]1CN(C)CCCN1[C@H](C)CC(=O)NN	235679350	NKGORCKIWAUHRC-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CCOC(=O)c1nc(C)ccc1B(O)O	238279391	GUKJLQVKGVDICG-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
O=C(NCCCl)NCCN1CCOCC1	244022194	SPQOOTGDTWDCAX-UHFFFAOYSA-N	235.715	-0.143	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCCN1)C1CC1	308869272	IJCLFOYDSHRKQE-QMMMGPOBSA-N	211.265	-0.314	50	10	BBGE	
OB(O)c1ccnc(OCc2ccccn2)c1	310216632	LQROKRHZIHZZRG-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C)[C@H]1C	380340798	MORBOFLBYOGMHR-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
COC(=O)CCc1cccc(S)c1B(O)O	396140119	PSRBFOWSZUQEIB-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
OCc1ccc2sc(B(O)O)c(O)c2c1	396349296	VELOIWLGULKBNR-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC[S@](=O)N[C@H](C)c1ccc(B(O)O)cc1	404927586	PVLSMOHDYVZNTD-BCTVWOGZSA-N	241.121	-0.299	50	10	BBGE	
CC(C)NC(=O)NCc1sccc1B(O)O	405150202	QHUSEAOMMNDLMH-UHFFFAOYSA-N	242.109	-0.365	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	688395814	SOJFSALLOOHWAK-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](NCCCl)C1	689944163	YXLPLOCCYJOLOI-SSDOTTSWSA-N	226.729	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H](CO)C1	696773333	CAQRWRWBCKNNSQ-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(COC2)C1	697131480	ATUQFUARAIUBPE-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CCC(F)(F)CN(C)[C@@H](COC)C(=O)NN	703501999	MVPICZAYYPRLOH-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	707961831	NLTKDKXYTIIILS-PELKAZGASA-N	245.087	-0.135	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](N)C2CCC2)CC1	709297639	HJVUZMDMPUGTAK-JTQLQIEISA-N	237.303	-0.009	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	711043313	WJOTVWJUSFALGR-YIZRAAEISA-N	213.281	-0.524	50	10	BBGE	
CCNC(=N)SCC(=O)NNC(C)=O	719167672	LFOXXTKKQUQBPO-UHFFFAOYSA-N	218.282	-0.569	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)[C@H]1CCCO1	817216405	ZOJGQHSMAMWTIQ-JGVFFNPUSA-N	230.264	-0.669	50	10	BBGE	
CNCCCC(=O)N1CCC(O)(C#N)CC1	821981459	VLVLYCGEIXWBLI-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
O=C(NN=Cc1ccns1)C(=O)NC1CC1	844573302	ZEXQGBRFALVOLG-UHFFFAOYSA-N	238.272	-0.128	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NCCC	900394925	RLOUCRWILOTEBZ-MZTFZBDOSA-N	215.253	-0.336	50	10	BBGE	
Cc1ccnc(C(=O)NN(C)C[C@@H](C)O)n1	910150338	PYRLMELZUMWBHJ-MRVPVSSYSA-N	224.264	-0.258	50	10	BBGE	
COCN(C)C(=O)c1ccc(B(O)O)cc1F	1088235713	GUULQSFSOBUFBT-UHFFFAOYSA-N	241.027	-0.819	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@](F)(CO)C1	1253456039	HBKZDGVFXNEPAF-ZETCQYMHSA-N	245.703	-0.039	50	10	BBGE	
CNC(=O)NNC(=O)c1ncc2ccccn12	1442130898	GXOYYHZUBWFAJT-UHFFFAOYSA-N	233.231	-0.092	50	10	BBGE	
Cc1nocc1C(=O)NNc1nccn(C)c1=O	1457691446	ZWUDXXXKEJIHFM-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cccc[n+]1[O-]	1556548563	YXHQCVSWKSQQRY-UHFFFAOYSA-N	225.204	-0.337	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)c1cc(CO)on1	1596208840	MTIMMSYDSCWIPJ-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
CN(C)C(=O)NNC(=O)C12CCCN1CCC2	1597966123	MOKCKXXZCKSFBJ-UHFFFAOYSA-N	240.307	-0.083	50	10	BBGE	
CC(=O)NNC(=O)c1cnc2nccn2c1	1623586154	KABIHJNLUVWYGZ-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
C[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	1629656211	KAYYYCNFKGXYGA-RRHFRXRFSA-N	234.259	-0.176	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-]	1640026722	ZKBYFWOJEJZPNV-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
C#C[C@@H](CC)NC(=O)NNC(=O)c1ncon1	1682897024	NEYKKTOOVRNDFO-LURJTMIESA-N	237.219	-0.575	50	10	BBGE	
O=C(CCBr)NCC[C@@H](O)CO	1880869705	ZQZHSKZSSVJWHD-ZCFIWIBFSA-N	240.097	-0.369	50	10	BBGE	
O=C(NNCCO)[C@@H](F)C(F)(F)F	1882213192	XTKNHWDPYKUQKI-GSVOUGTGSA-N	204.123	-0.500	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C(=O)CCl	1882320377	XQTWGIJMUARUNU-CAHLUQPWSA-N	207.657	-0.432	50	10	BBGE	
OC[C@@]12C[C@@H]1CN(C[C@@H](O)CCl)C2	1883942750	KVUJUNARAUNDFZ-VGMNWLOBSA-N	205.685	-0.100	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2C[C@@H](O)C[C@H]21	1886576806	UTXMDUUJFRKJDX-XLPZGREQSA-N	219.668	-0.024	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@@H]1C[C@H]1Cl	1893107034	JUTGCKARJWKRGD-DSYKOEDSSA-N	216.668	-0.039	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@]3(O)C2)CC1	1895058626	OBBROKWQNITAKT-KCJUWKMLSA-N	225.292	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1895229890	YZVPFYIQYDIAEJ-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1C[C@@H](N)C1	1901377953	VCUBELHJZFJLJY-OCAPTIKFSA-N	249.336	-0.574	50	10	BBGE	
O=C1N[C@@H]2CCC[C@H]2N(C[C@H](O)CCl)C1=O	1902678671	UGPLJKVZIINCOD-BWZBUEFSSA-N	246.694	-0.534	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907275062	YSJSXGHKCQGSGA-LNFKQOIKSA-N	241.335	-0.295	50	10	BBGE	
Cn1cc(C=CC(=O)CCl)c(=O)n(C)c1=O	1911543722	IQZLYSZMFLSMHK-UHFFFAOYSA-N	242.662	-0.095	50	10	BBGE	
O=C(O)C=CC(=O)NNC(=O)c1ccco1	1911691044	HYZNKBBEBSBTDS-UHFFFAOYSA-N	224.172	-0.319	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1914256005	NWYMSYDNOAUFNW-MAUMQABQSA-N	213.281	-0.933	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)S(=O)(=O)CCCl	1916836849	BVGBPHOKBBULBK-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
C[C@H]1CCCN(C(=O)NNCCO)C1	1929841517	HRVHNGXXIIEJBK-QMMMGPOBSA-N	201.270	-0.075	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929912320	GJVJHFIMTGQFQL-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
C[C@H]1CCS[C@@H]1CN(C)C(=O)C(=O)NN	1930933376	WNKKTICPOAIEPW-NKWVEPMBSA-N	231.321	-0.424	50	10	BBGE	
CN(C[C@H]1CCCO1)CC(F)(F)C(=O)NN	1935944854	OXYZDNQVMOCINN-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1C(=O)N(C)C	1940305792	ZFXYCNYVPLHMNS-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2OCC[C@@H]2C1	1941086535	JIRWXUGPBGIDJD-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@@H](O2)C1=O	1941091041	UHURDFCRYCRDCH-RBXMUDONSA-N	239.275	-0.998	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@H](C)CCO1	1944022783	FSLHQXVXMLUOQS-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)C[C@@H]1C	1944321704	JFONIAZIIFIAGN-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCc1nn(CCN(C)C)c(CC)c1B(O)O	1944689655	RFBVUTRYPDXQSX-UHFFFAOYSA-N	239.128	-0.751	50	10	BBGE	
O=C(N1CCCC1)N1CC[C@@H](B(O)O)C1	1951321056	XJTKOYBSTFIQBD-MRVPVSSYSA-N	212.058	-0.249	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)CBr	1953338192	KBVNAKKONDPUKO-CRCLSJGQSA-N	226.070	-0.761	50	10	BBGE	
CCNC(=O)C1(NS(=O)(=O)CCl)CC1	1955422061	OKXISIUGCQDPGP-UHFFFAOYSA-N	240.712	-0.229	50	10	BBGE	
NCCOCCSCC1(C(=O)NN)CC1	1961086047	GNMWLNBDYJFHBL-UHFFFAOYSA-N	233.337	-0.535	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@H]21	1961695424	DALQBFZWSIJMFX-IONNQARKSA-N	204.038	-0.640	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1962236848	UZXKAIZJLFFGKW-ATRYVNFQSA-N	233.695	-0.281	50	10	BBGE	
C[C@@H](CN1CCC[C@@](F)(CO)C1)C(=O)NN	1975526809	JAEKGXXCQMQAOU-WPRPVWTQSA-N	233.287	-0.591	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1N(C)C(=O)C(=O)NN	1978957781	DHIAUUPVMQDQRS-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC2(CCCC2)CO1	1979306944	NOXHMQRWDRIAOF-VIFPVBQESA-N	228.292	-0.051	50	10	BBGE	
C[S@@](=O)CC1CN(CC(C)(C)C(=O)NN)C1	1979481259	YXWJKKPJOPUHIP-MRXNPFEDSA-N	247.364	-0.687	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN(C2CC2)CC1	1980758200	HEHOKKXYEAGWOR-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
COCCCOc1ncc(B(O)O)cc1Cl	1981420370	KEFITNOWCHAEFL-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCCC(=O)NN	1982047003	OWMGABMGZOXKCJ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=CC[C@H]1CO	1983178950	GWOMVFIVEOEALS-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
Cc1cc(N2CC[C@H]2CF)ncc1B(O)O	1986085047	RKTUQCMAZNPXMS-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
Cc1nccn1-c1ncc(F)cc1B(O)O	1988003189	HUASSZBXNHGQOT-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)n1C	1991331420	OXUFYNSQMWRHTF-UHFFFAOYSA-N	222.053	-0.368	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2CCCC[C@H]21	1992135769	UUQMRMGWNJXSFB-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
CC[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)O1	1993511821	DZRUUSPDMRPRDX-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
CN(CCOCC(=O)NN)CCOC(F)F	1993959507	MRCLDXBFNYBDRU-UHFFFAOYSA-N	241.238	-0.836	50	10	BBGE	
CO[C@@H]1[C@@H](N(C)CC(=O)NN)CC12CCC2	1995097793	NZRJQHQSJWUHBP-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)cn2)CCC1	1996646779	WUNZBLLYWYZTGP-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1c1ncon1	1997752664	POQJUUBHUBSODA-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(CCCCC(=O)NN)C1	2000972026	MUZHTFDGDVKPDB-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CCN([C@H]1CCCNC1=O)[C@H](C)CC(=O)NN	2004311855	QXEPGZMQZPKNQJ-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C(=O)NN	2004364721	LRHLXMQDPNJABF-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCn1cccc1	2004427453	UNCZTDVRSGKSHW-SNVBAGLBSA-N	240.307	-0.575	50	10	BBGE	
CC(C)[C@H]1CCCN1c1ncncc1B(O)O	2004921278	UGQHWUGHSQKRNQ-SNVBAGLBSA-N	235.096	-0.219	50	10	BBGE	
Cc1cnc(-n2cc(C)nc2C)c(B(O)O)c1	2005008312	VVAPHOXBPLWAMR-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@H](F)C2)n1	2005013955	DNBGBFQGHMWPOF-IMTBSYHQSA-N	239.059	-0.741	50	10	BBGE	
Cc1nc(N2CCO[C@@H](C)C2)ccc1B(O)O	2005018503	UZLIZTZOUCUADP-QMMMGPOBSA-N	236.080	-0.705	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2F)c(B(O)O)c1	2006989863	WRJQAODSXVJAOD-CBAPKCEASA-N	237.039	-0.029	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H](O)CCN2)CC1	2008259091	DMDCAAUVBBKBPO-QWRGUYRKSA-N	235.287	-0.218	50	10	BBGE	
CCCC(=O)NCCc1ccc(B(O)O)cc1	2008778883	BEBMMNIOSOSNOO-UHFFFAOYSA-N	235.092	-0.175	50	10	BBGE	
Cn1ccn(C[C@@H]2CC[C@@H](C(=O)NN)C2)c1=O	2010833802	VRABEMNQEPAFJH-RKDXNWHRSA-N	238.291	-0.407	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C(=O)COC2=O)C1	2010835792	SGQYFGWZXULXFH-RQJHMYQMSA-N	241.247	-0.629	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@]2(CCCOC2)C1	2012897365	AYFLDKCRYSXLEU-KCJUWKMLSA-N	241.291	-0.558	50	10	BBGE	
COC[C@H](OC[C@H](C)N1CCCC1)C(=O)NN	2013809592	QOIDNNJCULTJRY-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]1C(F)F	2014926883	SWWFPBLRPZSIIO-SSDOTTSWSA-N	245.997	-0.256	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCC(F)(F)C1	2021158049	WHTSJCBQJZAVGP-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
OB(O)c1cccc(CN2CCOCCO2)c1	2021408907	JVDHVFKCRDGQTM-UHFFFAOYSA-N	237.064	-0.870	50	10	BBGE	
C[C@]12CCCC[C@H]1CN2c1ncc(B(O)O)cn1	2052467179	NPULMBASMRFZLH-CABZTGNLSA-N	247.107	-0.075	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1Cc2cccc(B(O)O)c2C1	2055630779	IZEBRAIRUIUNIB-GZMMTYOYSA-N	249.050	-0.433	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1CC=CCC1	2058210540	LGPYZDJZYRXIBT-UHFFFAOYSA-N	247.063	-0.445	50	10	BBGE	
CCOc1cc(B(O)O)cc(C#N)c1F	2060174549	KKTUOERQKHYAQP-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
OB(O)c1ccccc1COCc1cccnn1	2080329789	MFNAHXNSQQBZMD-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H]3C[C@H]32)CCC1	2212261216	HDZLCHKHBRIHHP-RKDXNWHRSA-N	225.292	-0.380	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(F)C1	2212301576	QGPSTRGLXDILKE-QXFUBDJGSA-N	231.271	-0.575	50	10	BBGE	
C#CC(C)(C)CNc1ccc(B(O)O)cn1	2212605691	IXQUYGWKLBNCJT-UHFFFAOYSA-N	218.065	-0.167	50	10	BBGE	
Cc1cnc(N[C@H]2CCSC2)cc1B(O)O	2212606696	YIVQPIFLLDGEBW-QMMMGPOBSA-N	238.121	-0.013	50	10	BBGE	
C[C@@H]1CC(=O)N1CC1(C(=O)NN)CCOCC1	2216865531	XKRVQRDLALPDOO-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCCCN2)nc1	2217175838	NZDUJLKGOZHLKE-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
CCC[C@@H](O)CNc1nccc(B(O)O)c1F	2217180318	GXDOGNVPXPDYJI-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
CCN(C)CCCOc1ccc(B(O)O)cn1	2217180373	SLKFSYXHMDQRPO-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1	2221322318	MXFQENQZRHXKHI-IWDIQUIJSA-N	249.314	-0.092	50	10	BBGE	
CN(C)C[C@@H]1CCCN1c1cc(B(O)O)ccn1	2223636469	JZSBGWPVUGPYLB-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(NCc2ccc(F)cn2)nc1	2223645197	TXFCKNLILPNSNP-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CO[C@H](C3CC3)C2)c1	2223665899	IUCJJXHCIBVIEB-MNOVXSKESA-N	248.091	-0.259	50	10	BBGE	
C[C@H](C#N)CN(c1ncccc1B(O)O)C1CC1	2223674330	KEFHLFXMEALYJY-SECBINFHSA-N	245.091	-0.110	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C#CB(O)O)CS1	2241468606	RAWZOAWRBIZXDK-NKWVEPMBSA-N	213.067	-0.988	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(F)C1	2241480109	IIAWUYWRUVJCSJ-IZLXSQMJSA-N	201.006	-0.580	50	10	BBGE	
OB(O)c1cnccc1OCCOC(F)F	2242773408	TZFCECISYPBDOW-UHFFFAOYSA-N	232.979	-0.621	50	10	BBGE	
COC[C@H](OCC1(OC)CCC1)C(=O)NN	2243148212	WQCNFFXABVGZAL-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243350240	XYMMLUBHMUPESZ-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)C1(B(O)O)CC1	2243364648	ADFHQJJQGRHKHA-UHFFFAOYSA-N	229.085	-0.341	50	10	BBGE	
O=C(N[C@H]1C=CCNC1)C1(B(O)O)CCC1	2243364826	CQKIJNHTPMUZMS-QMMMGPOBSA-N	224.069	-0.972	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@H]2B(O)O)cnn1C	2243381248	DPVTVFDVOZEDMS-NKWVEPMBSA-N	223.041	-0.470	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1O)C1(B(O)O)CC1	2243398292	OCNNZEJOACMHFG-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C#CCSCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243404714	SQBGJYWRGPDWOR-DTORHVGOSA-N	241.121	-0.278	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1ccc(B(O)O)s1	2243407196	NHYHHDNDHYKJQL-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
O=C(NCCCN1CCC1)[C@@H]1C[C@@H]1B(O)O	2243415504	WOGXZRAXZMPHGP-BDAKNGLRSA-N	226.085	-0.939	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C(F)F	2243679326	WFWBZUBXOWSPQF-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
CC(C)S(=O)(=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243759098	QXSVLHKTTZGDLO-LJGSYFOKSA-N	249.097	-0.906	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@@H](C)C(=O)NN	2244881026	BWDGBPBWDDVRPB-ZJUUUORDSA-N	231.340	-0.049	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2245129759	XXKRAZIHEAJTJG-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@H]2C1	2247734163	FVUPJUFUATZYSS-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2247737922	LWJKJEUZGHEETF-RDDDGLTNSA-N	235.048	-0.559	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](C(F)(F)F)C1	2247743814	JRKWEGCAJZCMRR-ZETCQYMHSA-N	248.997	-0.197	50	10	BBGE	
NC[C@H]1C[C@](F)(CNC(=O)C2(B(O)O)CC2)C1	2247754282	LXLHCRWPPJFJLO-OTSSQURYSA-N	244.075	-0.813	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2occc2B(O)O)C1	2247754396	GNBKABIEPHBYCQ-OCAPTIKFSA-N	233.032	-0.899	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(F)cc1B(O)O	2247757431	JHYCWFVNQRAKHP-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
C=CCONC(=O)c1cccc(B(O)O)c1C	2247760063	BBXGDFFSIWXWIK-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2B(O)O)C1	2247782423	UQQCHAXYTMMSRJ-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
Cc1nc[nH]c1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247797127	GJQYRVLYJRMJQS-HTQZYQBOSA-N	237.068	-0.760	50	10	BBGE	
COCCOCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247797242	HNLOECPAIYSMAQ-IUCAKERBSA-N	245.084	-0.981	50	10	BBGE	
COCCOCCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247797243	HNLOECPAIYSMAQ-RKDXNWHRSA-N	245.084	-0.981	50	10	BBGE	
Cc1cnn(C)c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247797251	HPNCCTFVCKOSKW-YUMQZZPRSA-N	237.068	-0.792	50	10	BBGE	
Cc1cn(C)c(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247798874	XXCWLEVELBFLQH-ZKCHVHJHSA-N	237.068	-0.080	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1O	2247807803	JJBLFDQVFVVYAE-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2n[nH]cc2C1	2247808060	JVPSLRALMOPHLO-SFYZADRCSA-N	235.052	-0.843	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1ccnn1C	2247809978	SSGNDTYAGBCYES-UHFFFAOYSA-N	237.068	-0.364	50	10	BBGE	
CCCN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247852738	YVNHGNXWMBYVIY-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247869799	YRQGDIZYSDNKHW-HTQZYQBOSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2coc(B(O)O)c2)C1(F)F	2247871515	CKNGBKJLARPOPW-CLZZGJSISA-N	244.990	-0.657	50	10	BBGE	
O=C(N[C@]1(C2CC2)CCOC1)[C@@H]1C[C@H]1B(O)O	2247886694	FJMZIKWFYBVWMR-FXPVBKGRSA-N	239.080	-0.465	50	10	BBGE	
O=C(NC1CCC1)c1ccc(B(O)O)cc1O	2247985115	BQONYDXDRWDDPU-UHFFFAOYSA-N	235.048	-0.646	50	10	BBGE	
C[C@H](CCCC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248574881	VQJMTTXAKQSUCC-PRJMDXOYSA-N	243.068	-0.391	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586451	AZWVMDSDKNGVJG-FWWHASMVSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)CC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248586882	IMXRDNUQCMSNCF-GHNGIAPOSA-N	241.052	-0.781	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1cocc1B(O)O	2249415637	HBTQLZOCPHZENQ-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1cocc1B(O)O	2249429186	UHPQKWOYGJTFPF-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
O=C(NCc1cccnc1)c1ccoc1B(O)O	2255468052	VNXDZFSUPFFTNL-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CCC1(CNC(=O)c2ncc(B(O)O)cn2)CC1	2255471653	WFDSTZYWEFGRDK-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
Cc1cccc(C(=O)N(C)CCC#N)c1B(O)O	2255510230	TZRAPOLGPIKLBA-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
C=CCN(CC=C)C(=O)c1ccc(B(O)O)cn1	2255519030	RPCKLRBNIJEGQR-UHFFFAOYSA-N	246.075	-0.424	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2255675599	DAWFGGDJCRBOKZ-NSHDSACASA-N	246.075	-0.822	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)[C@@H]1CC1(C)C	2255713662	FOPFSPXRZHDAOA-SNVBAGLBSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2C[C@@H]21	2255718677	DGQNABBULLDHKS-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccc(B(O)O)cc1O	2255953781	OAWWYHZXQUDVDB-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258125874	BRSDLIJLOQVKCL-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)co1	2258143600	SJIPIFXUAKWROB-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1nnc2ncccn12)C1(B(O)O)CC1	2260136721	PEAKZQSMQVBFRB-UHFFFAOYSA-N	247.023	-0.930	50	10	BBGE	
CCC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298368404	BPGWHZZBAIFGRQ-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368962	DNXMYLYJRUTUDE-QCBRBAQYSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@H](CN)C1	2298370229	SKKBWXUBBXVLCT-KATARQTJSA-N	240.112	-0.565	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)[C@H]1C[C@@H]1B(O)O	2298371443	LHRHTOXNNWWPFB-UGYAYLCHSA-N	237.064	-0.223	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371903	ZEMKGCWYQHYOHV-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCCOC2)[C@H]1C[C@H]1B(O)O	2298375456	KQPVRURCOQVETE-DKIAZLNASA-N	239.080	-0.465	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298377514	UFAFTTDMFHIODS-VVULQXIFSA-N	238.096	-0.813	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1C[C@H]1C(=O)O	2298463150	SEUZZOBVIOSIOR-DSYKOEDSSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@@H]1CCN1C	2298952298	DHHCGEMOCIBVBB-JTQLQIEISA-N	236.080	-0.847	50	10	BBGE	
C[C@H](O)CCCN(C)c1ccc(B(O)O)cn1	2299583033	HDNPJGGKQVHAHA-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
Cc1cnc2n1CCN(CCC(=O)NN)CC2	2300074189	UNRXFVPIBCGITH-UHFFFAOYSA-N	237.307	-0.570	50	10	BBGE	
OB(O)c1cc(F)cnc1N(CCF)CCF	2301727714	LVZZGSIIHNFTKS-UHFFFAOYSA-N	248.013	-0.354	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@@H]1CCNC1=O	2302050300	PEUVIRTXGMIXOI-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CCC[C@@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	2303099655	QGRWVANENVUTDU-ZJUUUORDSA-N	242.128	-0.160	50	10	BBGE	
O=C([C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)N1CC[C@H](B(O)O)C1	2303110944	FMDSYJBOBZIPII-CFNOZWBQSA-N	235.092	-0.036	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303834275	CMHOEDJLWOHJPU-NKWVEPMBSA-N	239.059	-0.808	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1c1cc(B(O)O)ccn1	2314226039	MYMRACDIIGGKGA-GHMZBOCLSA-N	248.091	-0.723	50	10	BBGE	
O=Cc1ccc(NCc2ncco2)cc1B(O)O	2317308868	NHDDBOXTJNZTFZ-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
COCCS(=O)(=O)N1CCC[C@H](N=C=O)C1	42809605	ANTVEKPPORQEOF-VIFPVBQESA-N	248.304	-0.237	50	10	BBGE	
C[C@H]1CCCC[C@H]1CNC(=O)C(=O)NN	42871016	IHLINNLQVGSTDX-YUMQZZPRSA-N	213.281	-0.081	50	10	BBGE	
CC(C)(C)NNC(=O)NCCN1CCOCC1	42951098	BEVIUWFFDGQJQV-UHFFFAOYSA-N	244.339	-0.079	50	10	BBGE	
CCOC(=O)CCN/C=C(/C=O)[N+](=O)[O-]	59052382	DEMNTFICJDXOKB-ALCCZGGFSA-N	216.193	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CN)CC[C@@H]1C	70182699	ALNSSHITLTVVDP-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)N1CCN(C(=O)C2CC2)CC1	71518521	XGRXJXCGFOJGEF-UHFFFAOYSA-N	212.253	-0.876	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)CCO1	82467654	QEZBGZCBDZLYSL-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](Sc1nc(C)n[nH]1)C(=O)NN	82473180	UOKFWVQOUCVUQY-RXMQYKEDSA-N	215.282	-0.026	50	10	BBGE	
O=C(CBr)NCc1nnn[nH]1	82511014	ZKXAMSQJWZHNTE-UHFFFAOYSA-N	220.030	-0.789	50	10	BBGE	
CCN(CCOC)[C@@H](C)[C@@H](C)C(=O)NN	86313590	ISPDGYKQVSFNQM-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1n[nH]c(N)n1	86314055	IHRQWWMVTAJEIZ-QWWZWVQMSA-N	230.297	-0.507	50	10	BBGE	
COCCN(CCOC)[C@@H](C)[C@H](C)C(=O)NN	93072187	AMGMEKOEWJKBLT-UWVGGRQHSA-N	247.339	-0.404	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@H](C(=O)NN)C(C)C	104115343	BXGSZVGXOPGUGH-JTQLQIEISA-N	244.339	-0.589	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1CC[C@H](C)O1	158716121	DHKOWDBWZVWJDX-NTSWFWBYSA-N	202.210	-0.059	50	10	BBGE	
CCN1CCO[C@H](CN2CC(=O)OC(=O)C2)C1	166285189	KANHXJZGTNAILN-VIFPVBQESA-N	242.275	-0.908	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)NCN=C=O	170294199	KIBIKWXTNPGVID-ZETCQYMHSA-N	213.237	-0.166	50	10	BBGE	
CC(C)c1[nH]ncc1C(=O)NNC(=O)CO	193840704	GODNAAUTFDXKOQ-UHFFFAOYSA-N	226.236	-0.714	50	10	BBGE	
CN(C)CCOc1ccc(F)cc1B(O)O	197958272	GNECSPPFGBDCLU-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
OB(O)c1cc(F)ccc1O[C@H]1CCOC1	203528504	NDIFCQOZVIATTR-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
OB(O)c1cnc(NCc2ccncc2)nc1	206037670	XLJXOCVTENXOTH-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CC[C@H](C)[C@@H](NC)C(=O)N1CCC[C@H]1B(O)O	213642991	BUAAKYSJGLRXTN-LPEHRKFASA-N	242.128	-0.377	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)OC[C@@H]1C	221308452	CIRAZEUGWCEXMM-XKNYDFJKSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CCl)C(=O)NCCOCC(N)=O	230042642	OWIPMBKSBSNEPK-ZCFIWIBFSA-N	222.672	-0.521	50	10	BBGE	
CS[C@@H]1CC[C@@H](NC(=O)C(=O)NN)C1	235116834	WRGGXIVZRKNELK-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
O=S(=O)(CCCCl)N1CC(O)C1	236489925	BNXHURYGPXCJAE-UHFFFAOYSA-N	213.686	-0.378	50	10	BBGE	
CC(C)c1ncc(B(O)O)c(Cl)n1	238182596	DCGHOVFDBGGPDQ-UHFFFAOYSA-N	200.434	-0.067	50	10	BBGE	
OC1[C@@H](O)CC(Br)C[C@@H]1O	238648578	GHHOPJCDDUGPCW-CHJPALPBSA-N	211.055	-0.374	50	10	BBGE	
Cn1cnc2cc([C@@H](N)C(=O)NN)ccc21	259065207	XIZPBVGLBCTFIO-SECBINFHSA-N	219.248	-0.437	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1C	299916428	SJKFQJTXJYPOLN-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](O)(C(F)(F)F)C1	304423799	AEGGGLZGINUMLD-VDTYLAMSSA-N	241.213	-0.636	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O)C(=O)NN	305961637	FLHVIICBYUTJCU-FSKPYACHSA-N	239.319	-0.687	50	10	BBGE	
OB(O)c1ccc(F)c(O)c1Br	306405932	BIKMQWAZGHYLFM-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
Cc1cnc(B(O)O)c(Br)c1	306583168	CWJBRFIHUYDNMR-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
C[C@H]1CSCCN(CC(=O)NN)C1	307476895	LQJVLYKOHRWBCR-SSDOTTSWSA-N	203.311	-0.339	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)CC(=O)NN	307706502	ZUVVXUGDYIIAAM-CSMHCCOUSA-N	201.270	-0.526	50	10	BBGE	
Cn1nnc(Br)c1/C=C\B(O)O	307935739	FIWSZRINTBKARF-IHWYPQMZSA-N	231.846	-0.397	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc(CCO)c1	313159006	GNGCHUCOAJHUMQ-UHFFFAOYSA-N	223.232	-0.850	50	10	BBGE	
Cc1ccc(CN2CCOC[C@@H]2C)cc1B(O)O	313758954	WLYLIKGIWIEZRZ-NSHDSACASA-N	249.119	-0.104	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H](C)C(=O)NN	379003795	CHIUJGAAMBMEOL-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
CCNc1nc(N)c(C(=O)NN)nc1Cl	380227068	KMIAKZQFKCCCMP-UHFFFAOYSA-N	230.659	-0.253	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1CCO	382357399	JZSPBUNATMKUFQ-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1CN(C(=O)NC(=O)CCCl)CC(=O)N1	386872303	DOADBUOCQPLQID-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CN(C)NC(=O)CCNc1ncccn1	389897772	BFGAKVAXAXDASB-UHFFFAOYSA-N	209.253	-0.129	50	10	BBGE	
C[C@@H](O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395574689	ANYQHXRWOUQFRY-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
COc1c(CC(C)=O)cccc1B(O)O	396025687	UTJRXEQPGPESBT-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
COC(=O)c1ccc(B(O)O)c(CC(C)=O)c1	396137185	KNFONLYZRPSBRT-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1c(C=O)c(B(O)O)cc2ccsc12	396250402	SVBYDPFRAGOVST-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc(O)c2scc(B(O)O)c2c1	396351054	XECRXYLSZKXUAC-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
Cc1cnoc1C(=O)Nc1cccc(B(O)O)n1	404983538	RNITZFCKBILFDB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)OC1CCC1	405075654	LZOSPFLEIBPPPU-UHFFFAOYSA-N	236.036	-0.138	50	10	BBGE	
CNC(=O)Nc1cc(C)ccc1B(O)O	405148035	OQLYCNZPFZZBSD-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H](O)C1CC1	690157107	WJWAKJNQWMVCTP-XKSSXDPKSA-N	229.324	-0.296	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(C)COC1	702970007	RTVPWUHUHQPYQK-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CNNC(=O)[C@H]1CCCN1C(=O)C1CC1	704632725	UHNLFEHCEFTWGZ-MRVPVSSYSA-N	211.265	-0.362	50	10	BBGE	
CN(C)C[C@H](CO)NS(=O)(=O)CCl	716670472	JRBPFSCAOOGLHN-ZCFIWIBFSA-N	230.717	-0.975	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1COC[C@@H]1O	725543766	AZJZOLNEWWFFAB-ACZMJKKPSA-N	207.657	-0.263	50	10	BBGE	
ClCc1c[nH]n[n+]1CC1=[S+]CC=N1	725555250	HFWUKLDLADHXAE-UHFFFAOYSA-O	216.697	-0.267	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)c1cc[nH]c1	732074447	OEZVAWDEFDUEDG-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
CC(C)(C)NC(=O)NNC(=O)[C@@H]1COCCO1	759610054	CWKNQLBTIBZJIZ-ZETCQYMHSA-N	245.279	-0.469	50	10	BBGE	
CSCC(=O)NNC(=O)c1ccnnc1	761045989	SRZMMPUMEFRDRD-UHFFFAOYSA-N	226.261	-0.399	50	10	BBGE	
COCCOCC(=O)NNC(=O)CSC	762255260	XVPVZAUAMGRRQW-UHFFFAOYSA-N	236.293	-0.840	50	10	BBGE	
CCn1nccc1C(=O)NNC(=O)c1cnn[nH]1	775836729	IKYRIPWCYQJJKG-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
C=C[C@H](C(=O)O)N1C[C@@H](Cl)C(=O)NC1=O	952960765	QJRYZLCNWYWWOM-RFZPGFLSSA-N	232.623	-0.215	50	10	BBGE	
CCOC(=O)C/C(N)=C(/C#N)S(C)(=O)=O	1088695057	QKZWYZLIXOTKEU-VOTSOKGWSA-N	232.261	-0.322	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)C1	1289982019	DXNXUEGKXSTYAC-BQYQJAHWSA-N	223.232	-0.611	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	1328637920	VEBIOAJTSYPHFD-VQVTYTSYSA-N	248.229	-0.193	50	10	BBGE	
CCOCCC(=O)NNC(=O)c1ncccn1	1436868486	WEPPVKZXWFIBPD-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H]1F)c1ccnnc1	1520238988	FDHUZHPMWVLBIT-BQBZGAKWSA-N	224.195	-0.404	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1	1564996455	YJQZNJGPECYNJX-ZETCQYMHSA-N	220.232	-0.020	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2ncon2)[nH]1	1598459639	OGUMYZMWSKZNBF-UHFFFAOYSA-N	246.186	-0.656	50	10	BBGE	
CC(=O)NNC(=O)CNc1ccc(C#N)cn1	1623586245	NXUUCFBQDHLUCK-UHFFFAOYSA-N	233.231	-0.468	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H]1C[C@@H](O)CN1	1866039636	AWAFOGWYVMWETK-XVMARJQXSA-N	206.673	-0.547	50	10	BBGE	
N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]1Br	1877359847	OPFKTDNGNIOHGV-PBXRRBTRSA-N	237.097	-0.794	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1[C@@H]2CCO[C@@H]21	1880578307	REVSUBZUGSDUNY-JKUQZMGJSA-N	211.670	-0.111	50	10	BBGE	
O=C(NC1(CO)COC1)[C@@H]1C[C@@H]1Cl	1883640327	SGBAAMUERAGPON-RITPCOANSA-N	205.641	-0.509	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)CCl)C[C@@H]12	1883971464	RYTHTSIOHVXMSP-RFZPGFLSSA-N	202.641	-0.585	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@H](O)[C@@H]1CF	1884172971	QBVLHBSECGXLSW-KZLJYQGOSA-N	211.620	-0.873	50	10	BBGE	
NNC(=O)NCCCN1CCOC1=O	1885251675	TVIMFVYDJUQRCI-UHFFFAOYSA-N	202.214	-0.998	50	10	BBGE	
CN1C[C@H](NC(=O)NN)CCCC1=O	1887641208	GCJPVLPDEINVIY-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
Cn1[nH]c(=N[C@H]2C[C@@H](Br)C2)[nH]c1=N	1892905488	OIOGJQHUWBAWQW-SYDPRGILSA-N	246.112	-0.013	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CS[C@@H]2CC[C@H]2N)O1	1900454439	KYNAMPBBCNYWDX-LURQLKTLSA-N	245.348	-0.253	50	10	BBGE	
CC[C@@H](NC)C(=O)NN(C)S(=O)(=O)C1CC1	1901343372	XBRSWEPAUNEMRK-MRVPVSSYSA-N	249.336	-0.560	50	10	BBGE	
C[C@H](CCCC(=O)NN)Sc1nncn1N	1901752562	NTGGLUIRCDJYSS-ZCFIWIBFSA-N	244.324	-0.367	50	10	BBGE	
CC[C@](C)(CN1CC2(COC2)C1)C(=O)NN	1902715790	KONJDCPEAGJIQH-SNVBAGLBSA-N	227.308	-0.275	50	10	BBGE	
C#CCN1CCC(=O)N(C[C@@H](O)CCl)C1=O	1903198538	FYWICMBPJOAVSQ-QMMMGPOBSA-N	244.678	-0.126	50	10	BBGE	
O=C(O)[C@@]1(NC2CC(Cl)C2)CNCCOC1	1904194723	POOLPGCTNKSPFG-SFVIPPHHSA-N	248.710	-0.211	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@@H]21	1909450316	VMKATIGWWZGOCP-YWVKMMECSA-N	233.076	-0.426	50	10	BBGE	
NNC(=O)NC1CC(Cn2cccn2)C1	1913685654	HEJNLFBGFBPGFP-UHFFFAOYSA-N	209.253	-0.165	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@H]1C(=O)NNCCO	1929838590	PZKACJJKUTXTER-RNFRBKRXSA-N	216.237	-0.900	50	10	BBGE	
O=C(O)[C@H](Cl)CN1C[C@@H]2OCCO[C@H]2C1	1930268419	XVQJOXKAVRJQHE-CSMHCCOUSA-N	235.667	-0.222	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CCO	1936094364	MMRRTARROQMUHP-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2OCC[C@H]2C1	1937815987	IXDSRRBFWWWMHF-XLPZGREQSA-N	227.264	-0.950	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H]1COC[C@@H]1Cl	1939166040	GMWLMVCCLUHNAB-BQBZGAKWSA-N	245.670	-0.957	50	10	BBGE	
CO[C@H]1COC[C@@H]1CN1CC(=O)OC(=O)C1	1939187585	FBFCWCYFLBXXQX-YUMQZZPRSA-N	229.232	-0.967	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]2C1=O	1940089190	ZNYXCPMORTYNHC-BZNPZCIMSA-N	223.276	-0.519	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](C(=O)N(C)C)C1	1940303258	LIOHKMMHKWVCNB-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1C[C@@H]1C[C@@H]1C(=O)NN	1944568389	FKJOARNSNGMPCW-NMUGVGKYSA-N	241.335	-0.296	50	10	BBGE	
CN(C)C1[C@@H]2CN(CC3(C(=O)NN)CC3)C[C@@H]12	1945913654	XLCLZVKCQXVOMT-RKDXNWHRSA-N	238.335	-0.752	50	10	BBGE	
Cc1cc(CN2CC[C@H](B(O)O)C2)n(C)n1	1951319950	ASZZREHLFDDRNJ-VIFPVBQESA-N	223.085	-0.223	50	10	BBGE	
CC[C@H](Cl)C(=O)N=c1nnn(C)[nH]1	1954505884	KIGQTBLNSONADU-BYPYZUCNSA-N	203.633	-0.412	50	10	BBGE	
O=C1NC[C@@H]2CN(CCCl)CCN12	1954821694	CMHOLQAJKQAASY-SSDOTTSWSA-N	203.673	-0.065	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]1C(F)F	1955440545	HHPSFEBVQCKZPI-RITPCOANSA-N	207.224	-0.191	50	10	BBGE	
OB(O)c1csc(Sc2ncco2)n1	1956966128	QBDYLFPJDCYOSE-UHFFFAOYSA-N	228.063	-0.038	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC[C@H]1F	1957434604	XRLYRWVSMJRWPA-PHDIDXHHSA-N	203.217	-0.627	50	10	BBGE	
NC(=O)NNC(=O)c1ncoc1C(F)F	1958686587	GNCJNORLJYPCIB-UHFFFAOYSA-N	220.135	-0.075	50	10	BBGE	
CN(CC1(S(C)(=O)=O)CCC1)C(=O)NN	1960714718	PUTVDTQXVCMRGV-UHFFFAOYSA-N	235.309	-0.531	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C)(C#N)C1	1961494712	APYJNSPBGJPTJU-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](F)C1	1961687563	MWVMMWAYESREEJ-ZETCQYMHSA-N	210.017	-0.690	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H]1C[C@H]1CCl	1962199721	KYGBGULXLUMWTL-BQBZGAKWSA-N	229.671	-0.336	50	10	BBGE	
C[C@H](O)CN(C)CCC(F)(F)C(=O)NN	1975105091	WZRIKHKLIHXBNF-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
CC(C)(C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1976979602	NHKOMWRBRRYTBE-LURJTMIESA-N	231.057	-0.535	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(=O)N[C@H]2CC[C@@H]21	1980222193	DGIVGVGGBYQMDG-WDSKDSINSA-N	245.666	-0.576	50	10	BBGE	
CCc1nc(C)cn1-c1nc(B(O)O)cs1	1981464380	CHRDCVIPPJZRRY-UHFFFAOYSA-N	237.093	-0.121	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@@H]3C2)c(Cl)c1	1981468709	HCRYHOOYMXSTKG-RNFRBKRXSA-N	238.483	-0.129	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2C[C@H]2C)n1	1981531039	SVJYLZBIAVBCLF-MUWHJKNJSA-N	221.069	-0.691	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]1(C)COCCO1	1982115560	SIWUQXIMAVOACA-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC=C[C@H]1CO	1983180987	JWTQZZWXTCLDKI-IUCAKERBSA-N	227.308	-0.376	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](CCO)C(F)F	1984132009	MAVXLTLOEZBDCP-NKWVEPMBSA-N	239.266	-0.297	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)CCCl)C[C@H]2N1	1986838851	ALAZHICSOTWLMP-HTQZYQBOSA-N	246.694	-0.269	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC(CO)C2)C1	1987153501	HNVKCDGMSARQEG-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
COC1CC(CCn2ccc(B(O)O)n2)C1	1987331824	JOZIOPWTOYRITD-UHFFFAOYSA-N	224.069	-0.622	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C[C@H]3C[C@@H]3Cl)C2)N1	1991437277	FBIWCDYWOXIIBW-MATHAZKKSA-N	243.694	-0.102	50	10	BBGE	
CCC[C@@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1998131235	SSNOEKROPZXQOI-RQJHMYQMSA-N	246.072	-0.600	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CO)CCCC[C@@H]12	2000944912	RTFRCALXTNKMJI-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)CCN1CCOC2(CCOCC2)C1	2002823534	XBUWXNGHROHCTG-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
CN(C[C@H]1CCCO1)c1ccncc1B(O)O	2004934573	HACZDMFOABEWEE-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CCOC[C@H](C)Oc1nccc(C)c1B(O)O	2004936318	XYIUQLIOJSYWII-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
OB(O)c1cnccc1OCCOC1CCC1	2004951615	NWTKMKMIWTZGPL-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
Cc1nc(N(C)[C@H]2CCOC2)ccc1B(O)O	2005017524	GKCHKLRZBDJTRR-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1COCCOC1	2014500183	KBSRAKHEQAGRBU-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CCC[C@H]21	2014924551	NBGZLOWGUQWKOI-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2[C@H]3COC[C@H]32)cc1	2015128401	PMSGFNFOJRRHKL-ZSBIGDGJSA-N	234.060	-0.362	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@@H]2C[C@H]21	2016676054	RZDZJAWASBQYHC-KXUCPTDWSA-N	233.076	-0.426	50	10	BBGE	
COCCN(C)C[C@H]1CCC[C@H](C(=O)NN)O1	2018242720	NBEHYLWLZFZFOQ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)C[C@H]1C	2019208275	FWFOHEIEPDGTOU-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
COCC[C@@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	2020068076	NVCRCJFIDXCVSG-PSASIEDQSA-N	241.096	-0.124	50	10	BBGE	
Cc1ncnc(N(C)CC2(F)CC2)c1B(O)O	2025751804	IOHOJHAWWZPRMT-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@@H](C)[C@@H]2C)c1B(O)O	2052553631	JRMONIXFMZMTMQ-XKSSXDPKSA-N	249.123	-0.054	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3COC[C@@H]32)c1B(O)O	2077840699	CVDUEHKKNFAVMG-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2079008179	FSEFANLYXWOHKK-CMPLNLGQSA-N	249.075	-0.726	50	10	BBGE	
CCN1CC[C@H](Oc2nc(B(O)O)cs2)C1	2212267743	NCEFFHNAAKGFFC-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(CCCC(=O)NN)C2	2212336683	OXDGFJRIMFQYNW-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CO[C@H]1CN2CCC1CC2	2214581641	LSDQRGKEEUCVIF-DCAQKATOSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1ncccc1B(O)O	2214986947	BSDYSMPLHBWTIC-SFYZADRCSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2(CC[C@@H]2O)C1	2215771143	GLQGJPQZHRWUCT-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
Cc1cnc(N2CCC[C@@H]2CO)cc1B(O)O	2217179710	BHMBUBFPXYCSBW-SECBINFHSA-N	236.080	-0.969	50	10	BBGE	
N#C[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2217184947	SMQFSFUNCWGZRG-ZETCQYMHSA-N	235.027	-0.750	50	10	BBGE	
OB(O)c1cnc(NC2CC3(CCC3)C2)nc1	2217197656	PEVWVLYNWYLDCA-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CNC[C@@H]3C2)c1	2223635419	WYHBJTXOXITLIJ-JZYVYDRUSA-N	247.107	-0.829	50	10	BBGE	
CN(CC1=CCCOC1)c1ncccc1B(O)O	2223640496	XGJKBJAPGNEOER-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
CN(Cc1nccn1C)c1cc(B(O)O)ccn1	2223670423	XOWVRMLDGISQBL-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@H](O)[C@H]2CC3)c1	2223678232	YWWUSKGOANHTBZ-MXWKQRLJSA-N	248.091	-0.747	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1CNc1cc(B(O)O)ccn1	2223679239	MWXFIOIWYPFMTC-WCBMZHEXSA-N	249.123	-0.453	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@H](CN)OC1	2241263678	JASZSUVVGYHGRB-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C=C[C@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241353561	IZYWRGBWFOSWSR-SSDOTTSWSA-N	240.712	-0.709	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2241480013	HDRFACKLTBDGEW-XZBKPIIZSA-N	201.006	-0.534	50	10	BBGE	
CCCN(O)C(=O)C1CC(B(O)O)C1	2241495804	MTHYPTMSSRDCDP-UHFFFAOYSA-N	201.031	-0.133	50	10	BBGE	
O=C(NO)c1cc(Cl)cc(B(O)O)c1	2241583739	CNFWNCKSTVLKTC-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
CC(C)(CN1CC[C@]2(O)C[C@@H]2C1)C(=O)NN	2242809442	OUDSMKODBOGCKK-KCJUWKMLSA-N	227.308	-0.541	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243362614	UFHAOFRECVUOJX-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381811	IZOWCUMYWGBBKJ-MAUMQABQSA-N	226.085	-0.813	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243396728	PZPAUZGZXZMAEF-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C[C@H]([C@@H]1CC1(C)C)N(C)C(=O)C#CB(O)O	2243398205	BTKSSDDYASXKSM-BDAKNGLRSA-N	223.081	-0.105	50	10	BBGE	
C#CCCN(C)C(=O)c1sccc1B(O)O	2243408554	PKDYIWDPRIOVSW-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243413984	RCIJJWMSNNZZRM-SSDOTTSWSA-N	223.037	-0.428	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243414440	AUKLTRHLZBBRKS-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CC[S@@](=O)Nc1ccc(F)c(F)c1B(O)O	2243534012	LWZCFPZVTIMOFX-MRXNPFEDSA-N	249.047	-0.260	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CC1)C(=O)O	2243759042	PWXUYCJDMKKBMM-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@@H]2C1	2244214858	YCMPKOQVFLMYPM-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CC[C@@H]21	2247740151	GRLSEWIFAHMBNJ-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ccoc1B(O)O	2247742110	KULYQJSTQVNAQZ-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CN1	2247750278	GZPURDGPOBEFNR-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)N1CCCC1	2247754532	MNCPWLQBSPMTKG-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247789714	ALFSNMJAACSXTE-CDLYGTGVSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncon1	2247789973	DKQNOBPPKDJDPR-LYFYHCNISA-N	239.040	-0.500	50	10	BBGE	
NCC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCC1	2247798405	TVVHYYYQFZPBJO-BDAKNGLRSA-N	240.112	-0.515	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247799027	ZEMKGCWYQHYOHV-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CC(C)N(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247799418	CXECHFUHGUJVLJ-IVZWLZJFSA-N	242.128	-0.306	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247807475	IIEHLAFLLZVLIL-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
CN(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810583	YNFDRQRRSWAXGW-IVZWLZJFSA-N	240.112	-0.741	50	10	BBGE	
CCCN(OC)C(=O)c1ncccc1B(O)O	2247852860	AZHLVHGBRZQKIE-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)cc2C)C1	2247854664	GVZLVTLNEJTKNN-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
C=C(C)CONC(=O)c1cc(C)c(B(O)O)o1	2247859713	OIZWGEFASLZWIH-UHFFFAOYSA-N	239.036	-0.495	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)oc1C	2247870712	OQKBGYFWEUCNKQ-MRVPVSSYSA-N	235.048	-0.426	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccncc1B(O)O	2247872443	RZNRTEULASUEEC-SECBINFHSA-N	232.048	-0.956	50	10	BBGE	
CC1(C)OC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2247894483	HCUKKQSTBUURBJ-FXQIFTODSA-N	243.068	-0.883	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896993	MRUFJNMHKNYEBU-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
CCN(CC)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898492	FATIDXXGOGTEIE-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901772	AGFLVXZLBVVYSD-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2248028236	HBHVAEGLYKNKBU-IMTBSYHQSA-N	235.048	-0.790	50	10	BBGE	
O=C(Nc1ccsc1)c1nccnc1B(O)O	2248057987	SPAOHXNHRKQNDR-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248577456	NKWDCBYQYHMVJD-ACZMJKKPSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cccnc1NCCCC1(O)CC1	2249261510	KMLOHFKAQRBWBL-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
C[C@@H](CF)N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2249281561	NXOZBQXKJMYLIG-LSJOCFKGSA-N	245.298	-0.185	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)co2)C=CCC1	2249408926	RPGNNAYAQZJWNJ-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1cc(B(O)O)co1	2249419865	MLTRRBLXKZACSK-IONNQARKSA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cc(B(O)O)co1	2249440318	NIKSUJCMAPHEDU-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC(F)CC1	2249440727	QDLWVWBURUYDEC-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)cc([N+](=O)[O-])c1	2255465302	IUJOTGMVUPGIKO-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1occc1B(O)O	2255473492	KWAUOUXPWDJKLY-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCCCC12CC2	2255549342	GKKICOTVOSQTCZ-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)c[nH]1	2255671747	WKQJRGPEXCDWFH-PRHODGIISA-N	248.091	-0.291	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1O[C@H]2CC[C@H]1C2	2255685973	KEKHWRFUTXVCAH-IUCAKERBSA-N	248.047	-0.930	50	10	BBGE	
COc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(B(O)O)c1	2255790140	SOUQITAHHKOURX-WRWORJQWSA-N	249.075	-0.487	50	10	BBGE	
CC=CCCNC(=O)c1ccc(B(O)O)cc1O	2255956225	AEFMPTWRBIKNNV-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1nccnc1B(O)O	2256045472	LVHJAQGXMJXEGU-CPCISQLKSA-N	249.079	-0.925	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H]3C2(C)C)n1	2257072610	WAOSFBVIIWGREE-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2COCC[C@H]21	2298369630	AEEXXYKWBBKPQI-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](C1)NC2)[C@H]1C[C@@H]1B(O)O	2300828787	QNWOKBWLSKMZOA-KBIXCLLPSA-N	238.096	-0.892	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2302017962	LCYCJQBRDXKJLP-KXUCPTDWSA-N	247.314	-0.060	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3O)c1	2312614316	HVWYMHANYDLYDE-HLFFCZDVSA-N	248.091	-0.667	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2312857336	LWCZWFMIFPZALG-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CC[C@H]1N	2317164614	BPUKJRRCUZMIJU-LDYMZIIASA-N	245.091	-0.613	50	10	BBGE	
O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc[nH]1	59166394	JWAVIWOASRKGON-CULDGANSSA-N	234.259	-0.009	50	10	BBGE	
NNC(=O)c1nc(C(=O)O)c2ccccn12	75848634	NPYILPFJKKFPEW-UHFFFAOYSA-N	220.188	-0.364	50	10	BBGE	
COCCCOC[C@@H]1CC[C@H](C(=O)NN)O1	82463216	XSJXRQKWCLYRCH-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
CCCN1CCN([C@@H](CC)C(=O)NN)CC1	82465984	VOIHDIDCZXQCSJ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H](Sc1nnnn1C)[C@@H](C)C(=O)NN	86313885	KVROKYMIXVLBFO-UHNVWZDZSA-N	230.297	-0.683	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](C(=O)NN)C(C)C	104107580	LQOSKGLYJNDRDC-JTQLQIEISA-N	244.339	-0.541	50	10	BBGE	
C[C@@H]1CC[C@@H](C(N)=O)CN1CCCC(=O)NN	110586443	IGPJIJOKUZQRQY-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)N)o1	157403153	HBZVAYCCGKBOGG-ZCFIWIBFSA-N	211.221	-0.304	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](CO)C1	159484372	PFVPFQHWWDYZGL-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
COC(OC)c1cc(B(O)O)ccc1[N+](=O)[O-]	170023483	MUEJQFWHPDIQGY-UHFFFAOYSA-N	241.008	-0.434	50	10	BBGE	
CN1CCN(Cc2cc(B(O)O)cs2)CC1	204175805	GNXFAYPYNYAHJV-UHFFFAOYSA-N	240.137	-0.825	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C(C)=O)CC1	211778127	MAABASVHYDLWFI-JTQLQIEISA-N	242.323	-0.691	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NCCCO	216552469	BHMDXTXFTAUCHF-HJWRWDBZSA-N	227.264	-0.872	50	10	BBGE	
N[C@H](C(=O)N1CCC[C@@H]1B(O)O)c1ccccc1	216727788	JCKSFPAAENVYOQ-MNOVXSKESA-N	248.091	-0.311	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)[C@H](C)C1	253201203	UJIBOKQTHBFHJY-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
CC(=O)Cc1ccc2c(c1B(O)O)OCO2	258404622	KVZARSAFECIRMI-UHFFFAOYSA-N	222.005	-0.773	50	10	BBGE	
O=C(CCl)NCC(=O)NCc1cc[nH]c1	258843948	XWIKKKCCAZBRTA-UHFFFAOYSA-N	229.667	-0.014	50	10	BBGE	
CNNC(=O)c1ccc2[nH]c(=O)oc2c1	258978930	JGUFPKKXEGPRPB-UHFFFAOYSA-N	207.189	-0.015	50	10	BBGE	
C[C@H](CN1CCCN(C)C[C@H]1C)C(=O)NN	300355866	TXUHHLICCLJQDY-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CC(=O)N/C(=C\c1cccnc1)C(=O)NN	309158545	WRAFMDVLUNWEFU-UITAMQMPSA-N	220.232	-0.452	50	10	BBGE	
OC/C=C\[C@H](O)[C@@H](O)CBr	379069519	YTMORFNIWVQAMT-WKBLSSNGSA-N	211.055	-0.348	50	10	BBGE	
CC(=O)NNC(=O)CNC1(CO)CCCC1	381446139	FUFJLMQBSHXANU-UHFFFAOYSA-N	229.280	-0.952	50	10	BBGE	
C[C@@H](CN1CCSC[C@H]1CO)C(=O)NN	388212907	VBOQRSLRJQVPCJ-JGVFFNPUSA-N	233.337	-0.978	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@H](N)CCl)C(C)C	389737590	UWJOSQPZHAODPW-RNFRBKRXSA-N	236.699	-0.134	50	10	BBGE	
CC(C)(CCN1CC(O)C1)C(=O)NN	395594443	ORJFMKFCKCWPRH-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CN(C)C(=O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395601677	CKNHKFAEVTVUHY-SECBINFHSA-N	244.339	-0.589	50	10	BBGE	
O=CCCc1c(/C=C\C(=O)O)cccc1B(O)O	396134417	UNWGKONNAMAPQV-SREVYHEPSA-N	248.043	-0.404	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398857672	VNYLIXDTOMRMRB-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSCCC(N)=O)O1	399150418	FUIIMASTBJQAAZ-RQJHMYQMSA-N	247.320	-0.868	50	10	BBGE	
C[C@H]1C[C@@H](N(C)Cc2ccc(B(O)O)cc2)CO1	401459267	ITZXJXLUIUEQHG-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)COc1ccc2c(c1)OCC2	401810260	SPBYJGDECCFULV-UHFFFAOYSA-N	208.217	-0.010	50	10	BBGE	
CN(C)NC(=O)C1=NO[C@@]2(CCNC2)C1	687607336	FNSXFAACUFWNJD-VIFPVBQESA-N	212.253	-0.912	50	10	BBGE	
C[C@]1(CO)CCCN(CCCC(=O)NN)C1	688023689	INGFSMBXMZUDIC-NSHDSACASA-N	229.324	-0.149	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@](C)(CO)C1	688120460	ZYBDOVZYXOPLLL-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]2C1	688274806	VRPOGZUHGMNOPQ-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
CC[C@H]1C[C@H](N(C)CC(=O)NN)CO1	688490115	YDXBWVRSVCIBSI-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C1CN(C[C@]23COC[C@H]2C3)CC(=O)O1	689259267	DWKYBRLHXBPWQA-GMSGAONNSA-N	211.217	-0.592	50	10	BBGE	
C[C@@H](Cl)c1nnc(NC(C(N)=O)C(N)=O)o1	695345357	ZDNHYEBLKZULOY-UWTATZPHSA-N	247.642	-0.880	50	10	BBGE	
COC[C@H]1CCCN1C[C@@H](C)C(=O)NN	702767039	NTWGWVXARIDWHB-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CN(C)C(C)(C)C1	703353645	ZEVOZHXAUBOMFU-IUCAKERBSA-N	228.340	-0.221	50	10	BBGE	
CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CC(=O)NN)C1	707930758	JYQVLWRVTHWKGC-MMWGEVLESA-N	238.335	-0.752	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COCC[C@@H]1O	710956501	VWSPARFBWDOEFS-RITPCOANSA-N	229.685	-0.748	50	10	BBGE	
O=C(COC1CCC1)Nc1ccccc1B(O)O	716965976	IXLWLJJUAKUPLW-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1CSC1	718478997	KSNXTXCTXVHJSA-UHFFFAOYSA-N	237.089	-0.332	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cnn[nH]1	748849370	KULHAXNKNZRCCJ-BDINMYNLSA-N	235.247	-0.388	50	10	BBGE	
CO[C@H](C)C(C)=NNC(=O)[C@H]1COCCO1	763179115	MKLPCYXKWMGBBW-RKDXNWHRSA-N	230.264	-0.071	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	817215158	HTOPDHFWRBQMMA-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
CCNC(=O)NNC(=O)c1coc(C)n1	1442294470	GHDDQTJOHSEAPL-UHFFFAOYSA-N	212.209	-0.053	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(N)=O	1446334128	JZEVITDZABDZMC-JGVFFNPUSA-N	237.263	-0.435	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC2(CCC2)C1	1595534052	BOQSVZQAKJJINL-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)on1	1629175711	XLSZRMLJPACOIO-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
COCC(C)(C)CC(=O)NNC(=O)CO	1638526112	DOCGCTCHQJUANL-UHFFFAOYSA-N	218.253	-0.811	50	10	BBGE	
Cn1ccc(NNC(=O)CCCCC(N)=O)n1	1654551864	KKQVAQRFZNFTST-UHFFFAOYSA-N	239.279	-0.091	50	10	BBGE	
O[C@H]1CCN(CCBr)C[C@H]1O	1880342110	VYPLOFNMRHJBEU-NKWVEPMBSA-N	224.098	-0.191	50	10	BBGE	
O[C@@H]1CN=C(N[C@H]2C[C@@H](Br)C2)NC1	1882558671	KLVFBICRHUCJDD-OLQVQODUSA-N	248.124	-0.178	50	10	BBGE	
CC(=O)N[C@@H](C)c1cc(B(O)O)cs1	1884965658	GMNJBNZVBBWXMN-YFKPBYRVSA-N	213.067	-0.375	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1893468894	CQPPUGIKRJPQPC-WDSKDSINSA-N	238.696	-0.887	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H]1C[C@H]1Cl	1893469572	KOWKIZAAZNMDLV-RNFRBKRXSA-N	214.652	-0.521	50	10	BBGE	
O=C(NCCc1nn[nH]n1)[C@@H]1C[C@H]1Cl	1893469632	KZJITURGICZTAG-RFZPGFLSSA-N	215.644	-0.514	50	10	BBGE	
CC[C@H]1CN[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901339423	NTEWPVCAUNJFNL-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H]1NCCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901340830	KUHINOGGJUALGR-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C=CCNC1	1901341045	ODAYIEYCQKOXMH-MRVPVSSYSA-N	247.320	-0.925	50	10	BBGE	
CN(NC(=O)[C@H]1CCCNCC1)S(C)(=O)=O	1901343575	DYFIHIMVLCJPGY-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
O=C(NCC1(CO)CNC1)[C@H]1C[C@@H]1Cl	1901392868	CKCQVKFTWUUBGL-BQBZGAKWSA-N	218.684	-0.688	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@H]1B(O)O	1902134716	FRACWQBKMIYUDQ-YIZRAAEISA-N	229.085	-0.675	50	10	BBGE	
C[C@H](C(=O)NC1CC1)N1CC[C@H](B(O)O)C1	1902505836	MEKRINWRCWHDRP-SFYZADRCSA-N	226.085	-0.798	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN=S(C)(C)=O	1913502295	BYCIMPPONMOOOW-UHFFFAOYSA-N	241.121	-0.098	50	10	BBGE	
CC(C)(F)CC(=O)Nc1ncccc1B(O)O	1913642544	XFAMSRDEDCMZHQ-UHFFFAOYSA-N	240.043	-0.162	50	10	BBGE	
N#CCS(=O)(=O)N1CC=C(C#N)CC1	1917076413	PKOPECUSKYMPSQ-UHFFFAOYSA-N	211.246	-0.005	50	10	BBGE	
C[C@H]1CNC[C@@H]1C(=O)NNC(=O)C(F)(F)F	1923383534	WZQNLEFLCFEXNK-WHFBIAKZSA-N	239.197	-0.448	50	10	BBGE	
CC[C@@H](C)CCN(C)C(=O)C(=O)NN	1926073253	GFAFAAFKPOSTJQ-SSDOTTSWSA-N	201.270	-0.129	50	10	BBGE	
C[C@@]1(C2CC2)COCCN1CC(=O)NN	1927935099	VNKRXQSPSLEEJO-JTQLQIEISA-N	213.281	-0.523	50	10	BBGE	
O=C(CCCl)N1CCS(=O)(=O)CCO1	1928681864	JSESLQCIGAKKRJ-UHFFFAOYSA-N	241.696	-0.196	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]21	1928993726	HEUURLCNTMAYQW-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)[C@H](C)CCO1	1929659083	IQONECWIAQASKF-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]1C1CC1	1930436517	ZSTYZYYRDZSZDR-JGVFFNPUSA-N	211.265	-0.329	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCOC1(C)C	1933165308	CEIXDISWFNWRRW-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
COC1(C(F)(F)F)CC(N)(B(O)O)C1	1934847679	JLDMHRZZDCSCGT-UHFFFAOYSA-N	212.964	-0.563	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936091492	PZUDITYXXQKIAH-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
CN(C)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1Cl	1936885198	KYCBISMUQRVCIS-YUMQZZPRSA-N	244.730	-0.437	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C)[C@H](C)C(=O)NN	1937468483	WZOWVIPQOSFAHQ-IUCAKERBSA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)[C@@H](C)CO1	1938245794	AOIROTONYQNNNG-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)Nc1ccccc1CCO	1939505173	KBPJRQJGDQIKNP-UHFFFAOYSA-N	223.232	-0.850	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)[C@@H]1O	1941093349	PFNAEHQFCVVIJH-OGBGREFGSA-N	241.335	-0.439	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(CO)C2)cc1	1944081079	WZICWSCYNWIVTH-UHFFFAOYSA-N	235.287	-0.286	50	10	BBGE	
CC1([C@H](N)C(=O)N2CCC(O)(C#N)CC2)CC1	1945004303	WYOXOYLDOLHQFP-SECBINFHSA-N	237.303	-0.009	50	10	BBGE	
C[S@](=O)C1CN(C[C@H](O)CCl)C1	1953700369	LRNUQPNQJOPSRI-INWYIAFRSA-N	211.714	-0.351	50	10	BBGE	
C[C@H](O)[C@@H]1CN(C(=O)CCl)CCO1	1954189966	SBNSLSKYDOCVFF-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@](C)(O)CO	1954506514	NGQCZBFVZHNUCK-POYBYMJQSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H]([C@]1(C)CC(=O)OC1=O)S(C)(=O)=O	1956806339	XIUWWBFDROWMOH-XNCJUZBTSA-N	220.246	-0.101	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(F)(CO)CC1	1957837127	SBOVUUUAJNQMAF-SSDOTTSWSA-N	219.260	-0.839	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	1958797062	GRCZGRKMFAZADO-DSYKOEDSSA-N	234.683	-0.549	50	10	BBGE	
CN(C[C@@H]1C[C@H]2OCC[C@H]2O1)C(=O)NN	1959595540	KGRJBDKVXHFPNQ-XLPZGREQSA-N	215.253	-0.552	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)C(C)C	1961678710	MDTHSJSHVQNWEI-UHFFFAOYSA-N	209.058	-0.609	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C1COC1	1975103771	KXOPMEWQIFNDTP-UHFFFAOYSA-N	223.223	-0.668	50	10	BBGE	
CC(C)(C)OCCCCNC(=O)C(=O)NN	1978251331	WXWNTKDAFYEQNH-UHFFFAOYSA-N	231.296	-0.312	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H](O)C1CCCC1	1979848476	FOEVKWLBRPPXRN-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
CS[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1N(C)C	1980886343	CKFBOKAXFFVZQC-HRDYMLBCSA-N	246.380	-0.658	50	10	BBGE	
OB(O)c1cnccc1N1CC(CCF)C1	1981410128	WCJYZAMHYYIFRU-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
C[C@H](Oc1ncc(B(O)O)cn1)C1CCC1	1981420261	IKWNAAXDGLSYTF-ZETCQYMHSA-N	222.053	-0.276	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CCCCCC(=O)NN	1985572116	PJDQRSKMDCVFNR-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H]2C1	1986732887	WJBXEHRISJSSKF-NQMVMOMDSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](F)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1988642946	TXLFJIPBWGCHRZ-JGVFFNPUSA-N	229.255	-0.451	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](O)C1(C)C	1991462254	UMUJMXZGXLDIDL-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)[C@H](CN)C1	1991647972	JXWOVISGXWLCMQ-MRVPVSSYSA-N	245.710	-0.591	50	10	BBGE	
Cn1[nH]c(CNC(=O)/C=C/C(=O)Cl)cc1=O	1991703147	CZTSCHOGBZAOJS-NSCUHMNNSA-N	243.650	-0.349	50	10	BBGE	
C=C(CN(C)Cc1cc(C)n(C)n1)B(O)O	1992152301	CQMFNDIXHBLFHN-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
OB(O)c1cccc(COCC2COC2)c1	1993168487	MOBWZPOCWPRFFI-UHFFFAOYSA-N	222.049	-0.471	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@]1(O)CCCNC1	1993452612	NAEGSKGXZAKJLG-JTQLQIEISA-N	246.694	-0.461	50	10	BBGE	
CC(C)(CN1CCOCCOCC1)C(=O)NN	1997202261	CDKHRLITUMWVCD-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@H]1CO	2000984612	QWBHCVYQEZHDTI-RCWTZXSCSA-N	241.335	-0.437	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1CC1CC1	2004919381	YHNJTIWNXACJKH-SECBINFHSA-N	233.080	-0.465	50	10	BBGE	
N#Cc1cnn(Cc2cnsc2C(=O)NN)c1	2005399510	PVTWXCKLBPGCLJ-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
CC(C)[C@H](C)n1cnc2c(B(O)O)ncnc21	2007067640	ZZBDPGAZSOJMBQ-ZETCQYMHSA-N	234.068	-0.277	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)CCCCC(=O)NN	2008155638	PIXNSWBATUAWTA-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)nc1	2011406875	XYPZAQLVHPBGJH-DTORHVGOSA-N	242.034	-0.352	50	10	BBGE	
CCc1ccn(-c2cc(C)c(B(O)O)cn2)n1	2012153766	JMVQXGJPWFKGPK-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2015729243	FPNMDGQBUWBIAS-LURJTMIESA-N	237.068	-0.551	50	10	BBGE	
C=C[C@]1(O)CCCN([C@@H](COC)C(=O)NN)C1	2018856159	ODZKDEMWAROYHR-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
C=CC1(O)CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	2018886060	QFQDTTSJOSNXQV-ZJUUUORDSA-N	239.319	-0.375	50	10	BBGE	
CN1CC[C@H](OC[C@H]2CC[C@@H](C(=O)NN)O2)C1	2021071199	JTCVUJJPZJBEEA-AEJSXWLSSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1ccc(OCc2ccncn2)cc1F	2029097507	HMAFEKCXRCUBDN-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@]12CCCC[C@@H]1CN2c1ncc(B(O)O)cn1	2052467181	NPULMBASMRFZLH-SKDRFNHKSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)C[C@@H](C)C2)n1	2052626379	UZNPMJAJJHDCFN-DTORHVGOSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cc(OCc2cccnn2)ccc1F	2052683483	CXKSMWLVVCZPSN-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1cc(B(O)O)cc(C=O)c1[N+](=O)[O-]	2060281507	OJUWSHPGRYUBOR-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@H]32)cn1	2066309796	OIGRBVKFLZLOID-GXSJLCMTSA-N	248.286	-0.484	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H]1CCC[C@@H]1O	2210165727	OGRZULHWWNBGKU-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(O)C(F)(F)F	2210374427	NDRILSRPDDHEGM-JCGDXUMPSA-N	239.197	-0.043	50	10	BBGE	
OB(O)c1csnc1COc1cccnc1	2211147908	ZNZQUYGHEJEVLZ-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@H]1C[C@H]1C	2212601757	SLHMCMJUQVAXEY-FJXKBIBVSA-N	221.069	-0.387	50	10	BBGE	
C=C(CC)CN=c1cc(B(O)O)c(C)c[nH]1	2212603100	CGABQPXHIOBMDX-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
CC(C)CNCCOc1ccc(B(O)O)cn1	2217172653	LKHZHXHUDHSEGR-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
OB(O)c1cnc(N[C@H](C(F)F)C2CC2)nc1	2217173228	PHZPUPBOWHJNNZ-ZETCQYMHSA-N	243.022	-0.388	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCCN1	2217173938	VHVZFIJGLFYKDC-SECBINFHSA-N	235.096	-0.685	50	10	BBGE	
OCCCN(c1ccc(B(O)O)cn1)C1CC1	2217176633	YVAVSWJQBBLDRY-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1nc[nH]n1	2217178097	RKPHEMYGRWEYSB-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
Cc1cnc(NC[C@@H]2C[C@@H]2CN)cc1B(O)O	2217181960	XNGJWIMDQBHORX-BDAKNGLRSA-N	235.096	-0.923	50	10	BBGE	
CON(c1nccc(B(O)O)c1F)C1CCC1	2217182248	BASFTZQAZHJDFK-UHFFFAOYSA-N	240.043	-0.179	50	10	BBGE	
OB(O)c1ccnc(OCc2cccnc2)c1	2217189035	XFXXSPFGBPMSRF-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)n[nH]1	2217195188	GVBZYOLADMWZEM-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3OCC[C@H]23)nc1	2217202063	UOJBPJCWASFCLV-OPRDCNLKSA-N	234.064	-0.649	50	10	BBGE	
CC1(C)CC[C@H](CNc2ncccc2B(O)O)N1	2223628613	RFGPNQHISMPCSK-SECBINFHSA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O	2223637814	HIXBVLMBSVZZGG-OEIWMXHLSA-N	248.091	-0.667	50	10	BBGE	
C[C@H]1C[C@@H](CNc2ncccc2B(O)O)CN1C	2223639917	UAZSFESHXDZKKL-UWVGGRQHSA-N	249.123	-0.487	50	10	BBGE	
CC1(N)CCC(Nc2ncccc2B(O)O)CC1	2223650951	SVXUQARKZDAOJW-UHFFFAOYSA-N	249.123	-0.167	50	10	BBGE	
COC1CC2(C1)C[C@H]2Nc1ncccc1B(O)O	2223677481	OKUJUALZGNZCEJ-KRBLXSNTSA-N	248.091	-0.259	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1CO[C@H]2CNC[C@@H]2O1	2241261500	VNWURADURUZQTR-XAMCCFCMSA-N	219.668	-0.061	50	10	BBGE	
CO[C@@H](C)CSCCOCC(=O)NN	2241563870	HFHQMKQQSFHYMI-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
O=C(NCc1ccccc1)c1cocc1B(O)O	2241747184	ANRPNUZWCSNGFZ-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
CCCN(OC)C(=O)c1coc(B(O)O)c1	2243347549	NNVZMTHSFYQHKU-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
O=C(NCCC1CC1)c1cc(B(O)O)c[nH]1	2243356067	AXMIMFXXWKJUSJ-UHFFFAOYSA-N	222.053	-0.776	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)C1(B(O)O)CC1	2243363478	HLEZYBSIOJGVHE-QMMMGPOBSA-N	226.085	-0.891	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363666	KGZFNQYMRGAHJY-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
O=C(NC[C@H]1CCCN1)C1(B(O)O)CCC1	2243364043	QABAKSZIIYJJRS-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2243390784	BFQUUGKNTGYRDI-BWZBUEFSSA-N	225.053	-0.223	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2243392215	RZWLMRYICYLPQJ-YNTFGVKOSA-N	227.069	-0.467	50	10	BBGE	
NCCCCCNC(=O)C1CC(B(O)O)C1	2243397216	XGVACHDVRJQDPC-UHFFFAOYSA-N	228.101	-0.515	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2243403750	CAZWCLMZFOTCEN-RBXMUDONSA-N	227.069	-0.467	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC=C(F)C1	2243406725	DKPPCDZUQGNUQU-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
CCN(CCF)C(=O)c1ccsc1B(O)O	2243407943	CSZDWRCLZJGXAJ-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1coc(B(O)O)c1	2243409523	JQJQORGPKGMGHU-ZETCQYMHSA-N	241.077	-0.805	50	10	BBGE	
CCON(CC)C(=O)c1cscc1B(O)O	2243410168	WKDNPXYCJHUKCM-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1sncc1B(O)O	2243415324	SARMABSEYGZDIF-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
Cc1c[nH]c(=NCC=C(F)F)cc1B(O)O	2243785931	ZYJIJBMQKBJMJC-UHFFFAOYSA-N	228.007	-0.316	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCOC1	2247736000	RESIAZUTXCGSKZ-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1CC2(F)F	2247737050	BPBZUFYHELFYLO-XLPZGREQSA-N	243.018	-0.448	50	10	BBGE	
O=C(C#CB(O)O)NCc1c(F)cccc1F	2247743658	HFDQAXMSXVCTKA-UHFFFAOYSA-N	238.986	-0.404	50	10	BBGE	
Cc1ocnc1CN(C)C(=O)C1(B(O)O)CC1	2247753143	BZECWKLSNOIDGJ-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@@H]1CN	2247754623	GTHSUIHHXIULLB-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
O=C(NCCCn1cccn1)C1(B(O)O)CC1	2247755749	KWRNRAKREJPSFQ-UHFFFAOYSA-N	237.068	-0.604	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787467	PMPOAFAMHRINAE-XHNCKOQMSA-N	243.112	-0.237	50	10	BBGE	
COC[C@@]1(C)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247798093	QCCULZFKBNFYEN-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CCc1nc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)co1	2247806273	DTZVSCNEHRCBPE-SFYZADRCSA-N	238.052	-0.284	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CCO)[C@H]1C[C@@H]1B(O)O	2247809096	NTSOSSMCKQYQFW-XFWSIPNHSA-N	241.096	-0.483	50	10	BBGE	
O=C(C#CB(O)O)N1CCCc2cnccc21	2247848105	HFHKAPPVTLDQKH-UHFFFAOYSA-N	230.032	-0.624	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1cscc1B(O)O	2247876000	HJJGXDSWTPCCGD-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885145	GKEIUCLJDNNKOL-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(n2ccnc2)C1	2247900139	UGNMVZJYWPMGIB-RKDXNWHRSA-N	235.052	-0.871	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@H]1C[C@H]1B(O)O	2247900284	VOTBGDHDGBYKKN-DTWKUNHWSA-N	235.052	-0.702	50	10	BBGE	
NCc1cc(F)ccc1NC(=O)C#CB(O)O	2248367589	IBUUDUKELRPRHK-UHFFFAOYSA-N	236.011	-0.762	50	10	BBGE	
Cc1cnc(N(C)CC2COC2)c(B(O)O)c1	2249035184	DPSFAHGRBDOFDW-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(F)(F)C[C@H]1CO	2250255138	UCIHYZBMCDOANS-FXQIFTODSA-N	249.261	-0.686	50	10	BBGE	
CCC1(Oc2ncc(B(O)O)cc2F)COC1	2250817557	XAGUWVQQAVROGR-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
C=CCCCCNC(=O)c1ccncc1B(O)O	2255454149	VCYHHMRSULTMOB-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2255463224	GLPCWWUVGCMAJV-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C(=O)[C@H]2CCC[C@H]21	2255466465	ZCKLXISVXONLGP-NKWVEPMBSA-N	249.031	-0.890	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2CC23CC3)c1	2255512267	XJIWSQUUISLCKF-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
CC1CC(N(C)C(=O)c2ncccc2B(O)O)C1	2255517167	TZCXLUPFAPBQSK-UHFFFAOYSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@H]2CC[C@H]21	2255546416	FFDVBGXMKOXCIC-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(C(=O)N=c2cc[nH]cc2)oc1B(O)O	2255574368	ZXAHEOVHZQKMFD-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(F)ccc1B(O)O	2255724598	PSXQRBJTUIKFKN-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2CC23CC3)oc1B(O)O	2255780262	SYZLXEKVYGMMOV-QMMMGPOBSA-N	249.075	-0.202	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)co1	2258122774	HBFGGTZFDJRKHR-QPUJVOFHSA-N	249.075	-0.026	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258123343	NOACGCKCPDUKQX-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC2(CC1)CC2	2258123761	TUJGZRDKTXQFSP-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC2(CCC2)C1	2258127460	JLPYKMULMCSXJV-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258128472	QQKOZQKCMSXBMP-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
C#CCN(OC)C(=O)c1cc(C)ccc1B(O)O	2258261320	DJYQRYHSIBRWBG-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369870	HZXWSONZVRTQNZ-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376051	FWRCUYMBLSNCTB-WCABBAIRSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@H]2CCC[C@@H]21	2298376316	RRCHJUOGMBCPTE-IMSYWVGJSA-N	239.080	-0.371	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@H]1C[C@H]2O)C(=O)NN	2300192808	TVPMWGRKMDXQAI-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC[C@@H](O)C1	2300374963	XGWPUGXABCUMLK-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
O=C(CCc1cn[nH]c1)N1CC[C@H](B(O)O)C1	2303114140	JGBHOUHYNLPDLA-VIFPVBQESA-N	237.068	-0.582	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@H]21	2312516183	PYVGVPQPAWVSNK-MJBIWFRBSA-N	249.314	-0.131	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1B(O)O	2317457600	MBTBMGAUEWPROS-APPZFPTMSA-N	249.075	-0.031	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@H](O)CCl)cc1F	1091774	KZXKYMPJEHOXBE-SCSAIBSYSA-N	222.603	-0.725	50	10	BBGE	
CC(C)CCNC(=O)COCC(=O)NN	58838922	CBTIPUBKMUNPMX-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nnnn1C	82471830	MZUOOCJHWHHEAP-SCSAIBSYSA-N	216.270	-0.929	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H](C)CC(N)=O	135314264	ZKBFYYRNYYGVIG-UHNVWZDZSA-N	235.671	-0.297	50	10	BBGE	
COCCN(C)Cc1ccc(B(O)O)cc1	203176185	KMWLWVWPVHMCLB-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](N)C1	307198811	VQTQLJYWYWJVDX-RNJXMRFFSA-N	200.286	-0.966	50	10	BBGE	
NNC(=O)CCCCN1CCC[S@](=O)CC1	321903469	QQNDQJRWBILDCC-INIZCTEOSA-N	247.364	-0.399	50	10	BBGE	
C[C@@]1(O)/C(=N\NC(N)=O)CC[C@@H]1C(=O)O	379702152	JRIYTNCQDUWDTE-KKHHGUDUSA-N	215.209	-0.744	50	10	BBGE	
C[C@H](CN1CCC[C@H](CO)CC1)C(=O)NN	382154100	QQSIBRBYBYTWLZ-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CC(=NNC(N)=O)[C@@](C)(O)C(C)(C)O	383914715	AZZJRDWFZSBCLG-MRVPVSSYSA-N	203.242	-0.448	50	10	BBGE	
CCC1(O)CN(Cc2ccoc2C(=O)NN)C1	384157206	QMIQHQNIGQLWCJ-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
NNC(=O)C(=O)N1CCOCC12CCCC2	388541301	WOZXKERBYAXKOB-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	395605251	DLXHTMOWSSIYLB-YFKPBYRVSA-N	242.239	-0.237	50	10	BBGE	
COc1ccc(B(O)O)c(CC(C)=O)c1	396020772	JLPCFIFRMRKYRD-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
COc1nc(B(O)O)ccc1C(F)(F)F	396108943	XPTDQPBLZWOJSS-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ccncn1	396598970	AMZBTOYCFWZAMH-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
CNC(=O)NCCNC(=O)[C@H](C)CCl	397444132	AZGRRDUPHMNJOE-ZCFIWIBFSA-N	221.688	-0.094	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCOC[C@@H]1C	398904995	FQXASDNBORMYTR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](SCCC(N)=O)C(=O)NN	399144584	BJUYHLFQTRNFKP-YFKPBYRVSA-N	205.283	-0.637	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ccc[nH]1	405004215	BSTVJBKOKSPOHV-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)[C@@H](COC)C(=O)NN)CO1	688489731	WYFRZJKZQDYTGS-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1CCC(=O)NN	688639918	NXFJYCYCTXDVHK-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CCN1CCN(CC(C)(C)C(=O)NN)C1=O	689020569	ZDMRCDLXPLINCN-UHFFFAOYSA-N	228.296	-0.240	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C(=O)CCCl	690201573	SECKAEFWSWFWNG-QMMMGPOBSA-N	222.716	-0.004	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690215262	YAHCKACBDJLJGP-RKDXNWHRSA-N	242.323	-0.837	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC1	692124691	OSSRFDFMKJYLLJ-ZJUUUORDSA-N	237.303	-0.009	50	10	BBGE	
N#CC1(O)CCN(C(=O)/C=C/C(=O)O)CC1	692137060	YFWMYHZFSVJNDR-OWOJBTEDSA-N	224.216	-0.496	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@]12COC[C@H]1C2	718111174	KPBCEMJSYNPNLG-XRGYYRRGSA-N	218.640	-0.160	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC(=O)NN)CCO1	721476366	AFZJMHOKROLVFP-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1	723860966	CAABAVXIQFDBML-RKDXNWHRSA-N	241.291	-0.702	50	10	BBGE	
CSC[C-](O)N1CC[C-]2C#CC(B(O)O)=C=C21	725449958	KDRNSTZCJSDDKU-UHFFFAOYSA-N	249.100	-0.070	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCSC1)c1cnn[nH]1	762201118	QSJDOXYDTWBJGN-RXMQYKEDSA-N	241.276	-0.681	50	10	BBGE	
COc1ncncc1C=NN(C)C(N)=O	842530682	PUMMHQGSDODTIB-UHFFFAOYSA-N	209.209	-0.170	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)c2cn(C)nn2)CN1C	853386164	WJZGAQGOQRSPMZ-SSDOTTSWSA-N	236.279	-0.375	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNC(C)=O)C1	854155109	FQTZBCOLGODUDU-SFYZADRCSA-N	200.238	-0.031	50	10	BBGE	
COCCN(C)NC(=O)c1cn(C)c(O)n1	854413827	TWTRJXFGQGZBHK-UHFFFAOYSA-N	228.252	-0.651	50	10	BBGE	
CSCCC(=O)NNC(=O)c1cn[nH]c1	862474207	NWDFGRQQUNUYOF-UHFFFAOYSA-N	228.277	-0.076	50	10	BBGE	
CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)CCl	888080962	RUFUEULVSPUBMH-SSDOTTSWSA-N	232.667	-0.517	50	10	BBGE	
Cc1cc(C(=O)NN(C)C[C@H](C)O)cnn1	910160401	NNXQGHREOBICNQ-QMMMGPOBSA-N	224.264	-0.258	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C(N)=O)C1	1252647165	ZPOPDWAUTLVKJY-OLQVQODUSA-N	244.251	-0.837	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc(CO)c1	1540576342	KEHAXQPJRYCTMG-UHFFFAOYSA-N	209.205	-0.645	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)C[C@H](O)C1	1880976440	ZQCKKLKDCGPIFQ-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
O[C@@H]1CN(CCBr)[C@H](CF)[C@H]1O	1881588524	OGBZUOQCEITXDO-FSDSQADBSA-N	242.088	-0.243	50	10	BBGE	
O[C@@H]1CN(CCBr)[C@@H](CF)[C@H]1O	1881588525	OGBZUOQCEITXDO-RRKCRQDMSA-N	242.088	-0.243	50	10	BBGE	
C[C@@H](CCCl)C(=O)NC(CO)CO	1882474904	KXGUXFYUULXCLQ-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2S(=O)(=O)CCl	1882775208	KFDVKTVZQFIDGY-NKWVEPMBSA-N	224.713	-0.099	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1NC(=O)C(=O)NN	1884880770	CMYZFFRNHNUHNI-NFNCENRGSA-N	207.180	-0.864	50	10	BBGE	
CON(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1885658446	FZTITURSBGKLPJ-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
NC(=O)c1ccc(-c2ccc(B(O)O)cc2)o1	1887431532	QOXCLIYHEPFWMR-UHFFFAOYSA-N	231.016	-0.275	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1CC[C@@H]1N	1887485690	KPKDUCNTXLLHFA-BQBZGAKWSA-N	217.294	-0.623	50	10	BBGE	
C[C@H](CN(C)C[C@H]1C[C@H]1F)C(=O)NN	1887510050	YQZVSAQLBLZZOG-BWZBUEFSSA-N	203.261	-0.098	50	10	BBGE	
Cc1c(C=O)c(C)c(C(=O)O)c(C)c1B(O)O	1887515712	KRYALFIFMRYTFV-UHFFFAOYSA-N	236.032	-0.198	50	10	BBGE	
CN1CC(=O)N(C[C@@H]2C[C@@H]2Cl)CC1=O	1893097579	CILHSKXRJPSOSL-BQBZGAKWSA-N	216.668	-0.086	50	10	BBGE	
N[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1CO	1897226019	GBXMZJRKXJLTLO-PPYPBTKYSA-N	246.694	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2[C@H](O)C[C@H]2C1	1898237117	HXOMDIABLHXPSA-RXKWGBCNSA-N	227.308	-0.687	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3C[C@@H]32)c1B(O)O	1899253077	HCJGYLRESXJILZ-BDAKNGLRSA-N	218.065	-0.332	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(F)(C#N)C1	1901251629	PSLBZLLRUICSAM-MRVPVSSYSA-N	228.271	-0.062	50	10	BBGE	
C[C@@H]1CCN(CCN2CC[C@H](B(O)O)C2)C1	1902513693	SMNBEAWKCYSSBR-MNOVXSKESA-N	226.129	-0.123	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@@H](B(O)O)C2)C1=O	1902528292	FZBMRUWHHSQTBK-DTWKUNHWSA-N	226.085	-0.987	50	10	BBGE	
C[C@H]1C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903005258	FDCKYAXTHGQDQH-BQBZGAKWSA-N	224.044	-0.610	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H](C(F)(F)F)C1	1905169526	MCQZGDMSMZWNLL-SYDPRGILSA-N	239.197	-0.319	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]2COC[C@@H]21	1909685639	KEINNNMNDMTJPJ-IVZWLZJFSA-N	243.307	-0.900	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	1914256003	NWYMSYDNOAUFNW-FNCVBFRFSA-N	213.281	-0.933	50	10	BBGE	
CN(C)S(=O)(=O)N(CCCl)C1COC1	1915519824	SJGQDGQDMQFRMF-UHFFFAOYSA-N	242.728	-0.268	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(C(F)F)C1	1927816728	QUZDIFNGSTZXEW-UHFFFAOYSA-N	229.177	-0.192	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2C[C@H]2C1	1927914850	YYERXVQGSYIHDT-UTINFBMNSA-N	209.293	-0.046	50	10	BBGE	
Cc1cc(CN(C)CC(=O)NN)n(C)n1	1934285037	KZZSPTFCTHSIOJ-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@H](C)CC(=O)NN)C1	1934917517	LDYVJTIUKFCVJC-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936092696	YYIGASKABLIEBM-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
CC(C)N(CCCO)C[C@H]1C[C@@H]1C(=O)NN	1936095329	WACMAMCQQLNZRG-ZJUUUORDSA-N	229.324	-0.295	50	10	BBGE	
CCOC1(C)CN(CCOCC(=O)NN)C1	1936532315	IGXAQVXMLGYXAE-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)C1CN(C)C1	1937467282	FSQAMPNZZYPZDC-PSASIEDQSA-N	226.324	-0.752	50	10	BBGE	
C[C@H]1OCCN(CC2(C(=O)NN)CC2)[C@@H]1C	1938230798	MXLNNKZRXCXBPP-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(COC(F)(F)F)C1	1939536875	PXXAJZGZMVHFMW-YFKPBYRVSA-N	241.213	-0.167	50	10	BBGE	
CO[C@H]1COC[C@H]1Oc1ccccc1B(O)O	1942933643	GFQHXPZBEBCYPV-WDEREUQCSA-N	238.048	-0.841	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@@H]1CO	1944080043	KYSGEDZHFUCHMK-MRVPVSSYSA-N	236.275	-0.748	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2[C@@H](C1)C2(F)F	1946719860	DRQFQOKOHUSGKC-HTQZYQBOSA-N	249.261	-0.420	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)C(=O)CCl	1951892246	DQDVBNGJMJBLIF-RXMQYKEDSA-N	214.670	-0.410	50	10	BBGE	
O=S1(=O)CC=CCN1C[C@H](O)CCl	1954862059	HVLBCRNXNLQUNG-SSDOTTSWSA-N	225.697	-0.212	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC2(CC2)CO1	1954974399	XUBKNZJORNBRLF-ZETCQYMHSA-N	200.238	-0.831	50	10	BBGE	
CC[C@H](SCCOCCN)C(=O)NN	1956690339	NYELYHGRJXKBGM-ZETCQYMHSA-N	221.326	-0.537	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957354990	ARIDPCOQUBEXTH-RNFRBKRXSA-N	236.362	-0.082	50	10	BBGE	
O=C1C[C@]2(CCN(C[C@H](O)CCl)C2)CN1	1960156968	ZDKQZGKWLRQKSS-PSASIEDQSA-N	232.711	-0.202	50	10	BBGE	
NNC(=O)N1CCC(COCCO)CC1	1960598387	BMPCDUGYRBPUPS-UHFFFAOYSA-N	217.269	-0.709	50	10	BBGE	
NNC(=O)N1CCO[C@@]2(CCCOC2)C1	1960909357	XLMJBLSWVFYWIY-VIFPVBQESA-N	215.253	-0.549	50	10	BBGE	
NCCOCCSCC(F)(F)C(=O)NN	1961087503	OZDSROXHEPEAQL-UHFFFAOYSA-N	243.279	-0.680	50	10	BBGE	
NC1CN(CC(=O)N2CCSSCC2)C1	1961162994	VJJMEYZOSHAJLG-UHFFFAOYSA-N	247.389	-0.147	50	10	BBGE	
C[C@@H]1C[S@@](=O)CCN1CCCC(=O)NN	1961554185	SMAMSTOQHBNXKA-GLEZIHRCSA-N	233.337	-0.791	50	10	BBGE	
NNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1	1980828384	NCUIKLIHKQDVCC-GUBZILKMSA-N	224.308	-0.014	50	10	BBGE	
CN1CCN(CC(=O)NN)c2cccnc21	1981043451	MQNPPBFEBVBNJD-UHFFFAOYSA-N	221.264	-0.672	50	10	BBGE	
C=CC[C@H](C)Oc1nc(C)ncc1B(O)O	1981422967	WSTXXMYBGOHFEJ-ZETCQYMHSA-N	222.053	-0.192	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CCC(F)(F)C(=O)NN	1985571743	MFRXBAALONQTQJ-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@@H]1C1CC1)C(=O)NN	1987391684	PKLMFWINQCHURI-JEZHCXPESA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987555494	BTAILXOEKBVDRK-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCN(C)C(=O)C(=O)NN	1991025271	IIQFGOBASLGZGY-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@H]2CC[C@@H]2C1	1992140814	MWBIHIDMLVQZLC-RKDXNWHRSA-N	221.065	-0.446	50	10	BBGE	
O=C(NCC#CB(O)O)NC1CCCCC1	1992143325	QACYWEPDAMJXJF-UHFFFAOYSA-N	224.069	-0.366	50	10	BBGE	
C=C(CN(C)C[C@H]1COCCCO1)B(O)O	1992145725	NXDCCPVDVSFABW-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
C=C(CN1CC[C@]2(CCN(C)C2)C1)B(O)O	1992154485	ZEWZHASCHFITQR-NSHDSACASA-N	224.113	-0.418	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(F)(F)C[C@H]1CO	1996894987	UCIHYZBMCDOANS-GJMOJQLCSA-N	249.261	-0.686	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCN2CCC[C@H]1C2	2000462397	GKRJRFNALUYDIS-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCCC2=O)n1	2003506006	MHNZTQTZYBXPAH-UHFFFAOYSA-N	237.263	-0.854	50	10	BBGE	
C[C@@H](CN1CCC[C@H](OCCO)C1)C(=O)NN	2003871195	ADQCRAXHBPFDJT-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1cnc(N2CC3(C2)CC3(F)F)nc1	2004911784	KUHDVNRIUMEOTQ-UHFFFAOYSA-N	241.006	-0.998	50	10	BBGE	
Cc1ccnc(N2C[C@H](C)[C@H](F)C2)c1B(O)O	2004918414	LLBGITOSGAPYAF-DTWKUNHWSA-N	238.071	-0.136	50	10	BBGE	
CCOC[C@H](C)Oc1nc(C)ncc1B(O)O	2004932431	VDZIYKXYISKARM-ZETCQYMHSA-N	240.068	-0.731	50	10	BBGE	
OB(O)c1cccnc1N(CC(F)F)C1CC1	2004934569	GXIDPAGWSJPXCG-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]3C[C@@H]32)c1B(O)O	2004972058	ZRYQFKKJMBBQBG-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
CCOCc1nccn1[C@@H](COC)C(=O)NN	2011271678	MBKFANQZHKEIDS-QMMMGPOBSA-N	242.279	-0.403	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(O)(CC(C)C)C1	2014743554	SBAJFLJFMUNUML-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
Cc1cnc(C(=O)NCC#CB(O)O)c(C)c1	2021158215	YTJYQPXMWSHZLQ-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)CC12CC(C(=O)NN)(CO1)C2	2023851695	BHCIBAAKQVDFHQ-CRRMYELQSA-N	239.319	-0.134	50	10	BBGE	
COC[C@H](C)OCC12CC(C(=O)NN)(CO1)C2	2023853208	KXMHKVSPSMDWOB-PUSIOWJLSA-N	244.291	-0.423	50	10	BBGE	
O=C(NNCCO)c1cn(-c2ccccc2)nn1	2031840445	UQEJGNICDUYIGN-UHFFFAOYSA-N	247.258	-0.506	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1[C@@H]2CCC[C@@H]12	2040767586	UJVRGMHOMGMOBR-HTQZYQBOSA-N	247.063	-0.859	50	10	BBGE	
OB(O)c1ccc(CN(C2CC2)C2COC2)cc1	2043200261	DWXKRJNNJKZLJV-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
Cc1cc(N2C[C@H]3COC[C@H]3C2)ncc1B(O)O	2052622730	ZDEQXBDBVUGOTF-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2N)CC1	2053917427	FADIVAFRSDEYSJ-GWOFURMSSA-N	249.314	-0.153	50	10	BBGE	
CCc1cc(B(O)O)c(OC)cc1[N+](=O)[O-]	2060066043	NZBDGIFKURGDDZ-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
N#Cc1c([N+](=O)[O-])ccc(B(O)O)c1Cl	2060109799	CBMFKUSRIOGNAW-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
Cc1ccnn(Cc2cc(C(=O)NN)co2)c1=O	2084712407	KHGWNYQQXSOOSL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@H](O)[C@@H](C)Sc1nccc(B(O)O)c1F	2212600607	XEYCSLBABSZBJP-NTSWFWBYSA-N	245.084	-0.238	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)[C@H]1C	2212605510	GDGUHHFMXZHPOF-BQBZGAKWSA-N	224.044	-0.255	50	10	BBGE	
C=C1CCN(c2ncccc2B(O)O)CC1	2212610251	FRYUDAWAGQNHPV-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213883367	ISTOQJFZWNRYFP-HLTSFMKQSA-N	247.314	-0.204	50	10	BBGE	
CC(C)(O)C1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215775794	IYTHDCUUBJCPJC-WCBMZHEXSA-N	241.335	-0.295	50	10	BBGE	
Cc1cnc(Sc2nccn2C)cc1B(O)O	2217166238	FIARTPAHCHWLSM-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
OC[C@H]1CCCCN1c1ncccc1B(O)O	2217175002	BRNGVDYPVZFLCV-SECBINFHSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@@H]3C[C@@H]23)[nH]c1	2217179194	HTWCJQGAAQWDNC-WCABBAIRSA-N	232.092	-0.359	50	10	BBGE	
CC(C)(N)CCNc1nccc(B(O)O)c1F	2217180666	JCZLEYCZPWEDRB-UHFFFAOYSA-N	241.075	-0.560	50	10	BBGE	
CC[C@@H](Nc1nccc(B(O)O)c1F)[C@@H](C)O	2217183166	GMYRSOXORVMLSE-HTRCEHHLSA-N	242.059	-0.528	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Oc1ccc(B(O)O)cn1	2217184995	XLNDEWAARWNPOZ-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(OCc2ccccn2)nc1	2217188743	SMYWRMMZJCTMSV-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
CC1(C)CNCCCN1c1ncccc1B(O)O	2223635570	YRRDTNAJMCRBLC-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
Cc1n[nH]c(C)c1CNc1cc(B(O)O)ccn1	2223638132	UXKVSDFCDZDUNV-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3NCC[C@@H]32)cc1B(O)O	2223643730	ZOSIQRIRICSMPH-JMJZKYOTSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1cccnc1OC1([C@H]2CCCN2)CC1	2223650783	QWABLZLPKBUNNF-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@@H](N[C@H]2C[C@H](Cl)C2)C1	2241669982	MSASLTYZJXMCOL-DKXJUACHSA-N	239.724	-0.496	50	10	BBGE	
CP(C)(=O)[C@H]1CN(C(=O)NN)CCO1	2242181242	JGARIIJCFQTIQA-LURJTMIESA-N	221.197	-0.149	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2242756972	HHSMHYQHTSQIJP-RYPBNFRJSA-N	249.694	-0.399	50	10	BBGE	
CCCN(O)C(=O)c1ccncc1B(O)O	2243348101	TWPLZFXXFKVPHT-UHFFFAOYSA-N	224.025	-0.997	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)C#CB(O)O)CO1	2243357252	UBINRQVIABTPNR-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
O=C(NCC[C@H]1CCOC1)C1(B(O)O)CC1	2243363908	OERFZQPSAJDKFZ-QMMMGPOBSA-N	227.069	-0.464	50	10	BBGE	
CN1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243398172	NSICLZGBRGKPFP-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(N[C@]12COC[C@H]1C2)C1CC(B(O)O)C1	2243403881	FIEMRYXLIDKUQS-SVLSAUASSA-N	225.053	-0.856	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H]1CO	2243409307	FRJZZUMLEKELSU-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
O=C(NC[C@@H]1CCOC1)C1(B(O)O)CCC1	2243411562	WJGDOENTAJBKMA-QMMMGPOBSA-N	227.069	-0.464	50	10	BBGE	
Cc1cc(B(O)O)sc1CNC(=O)C(F)F	2243679055	RVOPIWIOKJMVQA-UHFFFAOYSA-N	249.047	-0.382	50	10	BBGE	
C=CC(=O)N1CCc2sc(B(O)O)cc2C1	2243685355	SDPDPTYOOZKAQK-UHFFFAOYSA-N	237.089	-0.501	50	10	BBGE	
CP(C)(=O)CNC(=O)c1cc(B(O)O)co1	2244220549	DHKLKLKBRUSYTP-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
C=CCN(OC)c1ncc(F)cc1B(O)O	2244267325	QMJOWGRLYBTQHD-UHFFFAOYSA-N	226.016	-0.546	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)[C@@H]1CCOC1	2244887774	WNJCKSWURFCRNR-SSDOTTSWSA-N	231.252	-0.652	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@H]2C1	2247721558	FVUPJUFUATZYSS-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CCC1	2247732469	GCNKMNJXANPILK-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
COC1CC(CNC(=O)C2(B(O)O)CCC2)C1	2247733692	OSVXRTDIFLCVCX-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CCOC2(CCC2)C1)C1(B(O)O)CC1	2247755714	JPSBFXDIGMJXFY-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
Cc1cc(C(=O)N2CCCCC2)oc1B(O)O	2247788436	FVDLXIODNOQZAU-UHFFFAOYSA-N	237.064	-0.106	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)C1CC(B(O)O)C1	2247798537	VHEBCIPVKMLUOC-IDKOKCKLSA-N	243.112	-0.141	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247800827	TZXFTOMJHPUVJM-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
COc1cccnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247804792	IPMVIRMKVTYDDU-BQBZGAKWSA-N	236.036	-0.108	50	10	BBGE	
NCc1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cc1	2247806935	PAGMWCOKDVFKPS-VHSXEESVSA-N	234.064	-0.053	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC12CC2	2247808654	VYOCABIJYWKDAL-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2247810152	VFDVKJSGVJPYRA-RGOKHQFPSA-N	238.096	-0.846	50	10	BBGE	
O=C(NOCC1CCC1)c1occc1B(O)O	2247854190	YJPJGXPHURTDAN-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
CC(C)CCNC(=O)c1cc(B(O)O)cn1C	2247867897	AGGYBGXHARQJQA-UHFFFAOYSA-N	238.096	-0.519	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@@H]1C	2247874575	RXRVUIUVSPNMKN-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1(F)CC1	2247880223	YDPQMAOGHNHFDK-UHFFFAOYSA-N	241.027	-0.500	50	10	BBGE	
C#CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247886526	CINFNHBNXOSJHH-OPRDCNLKSA-N	237.064	-0.900	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1O	2247896707	JJBLFDQVFVVYAE-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898154	ATKQGCOZSIKFRF-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CCCO1	2247973429	UQHCTWCOCUOOQY-UHFFFAOYSA-N	236.036	-0.464	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ccc(B(O)O)cn1	2248416613	WIEWJXNPLLIMFS-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248589692	SYUWLHMFJDBHOS-BIIVOSGPSA-N	243.068	-0.535	50	10	BBGE	
C=CCN(CCC)C(=O)c1cocc1B(O)O	2249416026	MAUVVPLHUSAOOM-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1cc(B(O)O)co1	2249416562	UBWDQRDANYGAAV-SECBINFHSA-N	235.048	-0.250	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@]12CC2(F)F	2250005454	XZWOVPRFHYWCEJ-VXNVDRBHSA-N	243.018	-0.447	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1c1ccc(B(O)O)cn1	2251008448	FRXYHCQVVAPWFK-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
CC=CC(=O)NCc1ccc(C)c(B(O)O)c1	2253233985	WASVYPFMRHOYFQ-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C2CCC1CC2	2255456544	PSNONVCZTYCURO-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1coc(B(O)O)c1	2255457970	LJBZRRHEVANGHJ-IUCAKERBSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]3C[C@H]32)n1	2255493441	YZYRMFMEVSZNBT-PSASIEDQSA-N	246.075	-0.696	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)ccc1C	2255512863	HMBJTOPJHVPKIK-LLVKDONJSA-N	243.071	-0.477	50	10	BBGE	
CCCN(C(=O)c1ccc(B(O)O)cn1)C1CC1	2255520723	NRZGVGBLFKQKRT-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@@H](CNC(=O)c1cncc(B(O)O)c1)C1CC1	2255522466	KEEAVCIWSRORMR-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)nnc1C	2255561041	CNKYVRFFUHHILO-ZJUUUORDSA-N	249.079	-0.427	50	10	BBGE	
C=C[C@H](NC(=O)c1ccncc1B(O)O)C1CC1	2255733379	JVHKQHXGYOSRQD-NSHDSACASA-N	246.075	-0.544	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1n[nH]cc1B(O)O	2255765313	OEHZCGMKPYBRCJ-HQJQHLMTSA-N	249.079	-0.991	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC[C@H]2C[C@H]21	2255892945	MPJWTBIOEGETRZ-GZMMTYOYSA-N	246.075	-0.008	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NCCC#CB(O)O	2258957657	AZZSCNWQEYVHLJ-UHFFFAOYSA-N	249.079	-0.332	50	10	BBGE	
CNC(=O)[C@H]1CN(C)CCN1C(=O)CCl	2296576165	HLYMTJZEQWCPOD-SSDOTTSWSA-N	233.699	-0.886	50	10	BBGE	
CN(C)[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165717	SXPSNITVWAARIG-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1NCC2)[C@@H]1C[C@H]1B(O)O	2298370646	FRBFTFPUEYPUQQ-SDNRWEOFSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1CNCC12CCC2)[C@H]1C[C@H]1B(O)O	2298374643	GTGLYRPXYPDLOA-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298375688	VTGCLVIKWJSRSM-HOTMZDKISA-N	238.096	-0.955	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1C(=O)C1(B(O)O)CC1	2299248871	HAWNDXBFKVWOOX-RKDXNWHRSA-N	239.080	-0.469	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCO[C@@H]2C[C@@H]21	2300369524	KYVWIGCBIQNLDR-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@H](CO)N(C)c1ccc(B(O)O)cn1	2302493097	TZASQDJVHVDOTM-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836390	LWOSBFXZVNANBR-HZGVNTEJSA-N	240.043	-0.653	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3CC[C@H]32)ncc1F	2303846936	ABSHSWSAHMOHFH-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]([C@H](C)N)C1	70174625	ULFXLSKDESJMHG-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1CN(C)C	82468634	YHTKDVZIUPUZSA-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CN1CCN(C)C(C)(C)C1)C(=O)NN	82485352	DCNYOOYWCMAKCV-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CSCCC(=O)NNC(=O)CN(C)C	113423817	MVBZWGMKAUVQET-UHFFFAOYSA-N	219.310	-0.552	50	10	BBGE	
N[C@@H](C[C@H](Cl)S(=O)(=O)O)C(=O)O	118554310	SVVQYUQAAYWBGV-STHAYSLISA-N	217.630	-0.759	50	10	BBGE	
O=[N+]([O-])c1cnc(CO)n1C[C@@H](O)CCl	135872563	HQPDFZLULOWRMP-YFKPBYRVSA-N	235.627	-0.117	50	10	BBGE	
CN/C(=C(/C#N)C(N)=O)c1cccn1C	138064794	VNUACTOHBGSDHM-CLFYSBASSA-N	204.233	-0.036	50	10	BBGE	
CC(C)CNC(=O)CNC(=O)NC(=O)CCl	161527954	FDPYQRKSIIFOMG-UHFFFAOYSA-N	249.698	-0.177	50	10	BBGE	
O=c1n(C[C@@H](O)CCl)nc2n1CCCC2	163067453	XBVXFVCXEQYSJJ-ZETCQYMHSA-N	231.683	-0.019	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1ncccn1	211671415	VHAZVCFEADGDNE-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	232418842	ICBCNJYHHAFLRR-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ncccc1F	232558144	XNJMUGYZYBKPPM-UHFFFAOYSA-N	233.224	-0.450	50	10	BBGE	
CO[C@H]1CN(C[C@H](O)CCl)C[C@H]1OC	234809413	WIPFZWXRUWAYEE-HLTSFMKQSA-N	223.700	-0.068	50	10	BBGE	
COc1ccnc2ccc(B(O)O)cc12	238386687	CVCRTEPGIYIAHR-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
OC[C@H]1CSCN1C[C@@H](O)CCl	238720998	FTKVLEXMAQXMKZ-BQBZGAKWSA-N	211.714	-0.047	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	250963914	AVGXXIKCNQLUAF-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
COCCNC(=O)CC(C)=NNC(=O)CC#N	254880179	UXRLZONJWQSSEW-UHFFFAOYSA-N	240.263	-0.455	50	10	BBGE	
Cn1cnc2cc([C@@H](N)CC(=O)NN)ccc21	259037128	SIVGVRWXZLGEIK-QMMMGPOBSA-N	233.275	-0.047	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)[C@H]1CCCO1	294106599	YOYMZULIWWUSJJ-ZCFIWIBFSA-N	240.219	-0.682	50	10	BBGE	
O=C(CBr)NCc1c[nH]c(=O)[nH]1	306838859	XTZSBPBKVQIGFH-UHFFFAOYSA-N	234.053	-0.286	50	10	BBGE	
COC[C@H](Oc1cncc(F)c1)C(=O)NN	308102492	HTHYYSYPQMYHMA-QMMMGPOBSA-N	229.211	-0.396	50	10	BBGE	
COCCCn1nccc1/C=C\B(O)O	308958043	ZKAXVYIVLIRCMH-HYXAFXHYSA-N	210.042	-0.055	50	10	BBGE	
N#Cc1cnc(OC(F)F)c(B(O)O)c1	309000869	ZBGDRCIVNOCAFC-UHFFFAOYSA-N	213.936	-0.766	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(O)(C(N)=O)CC1	379890706	APEWRDVAUOSFPQ-SSDOTTSWSA-N	231.683	-0.570	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCN(C)C1	381667488	VVVQCJQTYGNJOM-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
Cc1cccn(Cc2nc(C(=O)NN)co2)c1=O	386895022	ZOKZXWQVILYNME-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C1(C)C	390365762	UDKJHEYLGQHZKW-DTWKUNHWSA-N	229.324	-0.154	50	10	BBGE	
N#CCCc1c(C#N)cccc1B(O)O	396095640	GHKDNCWFFXORJE-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
CC(=O)Cc1cc(CC#N)cc(B(O)O)c1	396136594	IZWAJUCHTDBWMO-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
O=Cc1cc(B(O)O)c2sc(CO)cc2c1	396330818	CILQYKQVWJMKRF-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(F)c(B(O)O)c1	405086737	TZWQJIVFLZZQDX-UHFFFAOYSA-N	240.043	-0.011	50	10	BBGE	
NC(=O)NN[C@@H]1CCCC[C@H]1[N+](=O)[O-]	687758630	DGOPYWXXMDRDEM-PHDIDXHHSA-N	202.214	-0.253	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C	695087328	MWWCOTKHCZFEAJ-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CC1(C)CC[C@H](CO)N(CC(=O)NN)C1	701576685	SGOMBIJWOOAPAU-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCOC(C)(C)Cn1cc(B(O)O)cn1	702655610	AARWLYUXRBWOMF-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1C	703468893	GZIJJXKCHFLGAH-BQBZGAKWSA-N	215.253	-0.873	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)C[C@H]1C)C(=O)NN	706113240	BCTNIEFWVJRMAR-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1cccc(B(O)O)n1	707447766	LXXNXEQSMDFSSC-SSDOTTSWSA-N	237.068	-0.319	50	10	BBGE	
NS(=O)(=O)[C@H]1CCN(C(=O)CCCl)C1	707499982	ZJZZTGONUKRENZ-LURJTMIESA-N	240.712	-0.495	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708050709	KKHDRBXHLMSDPD-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CCN1CC[C@@H](NC(=O)NC(=O)CCl)C1=O	708608275	AKLVDGIOFOAAOS-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@]1(C)CO	722998582	ACBHMRNKZWMXLZ-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCSC1=O	725663489	URVMNBFMXIKYFU-RITPCOANSA-N	215.278	-0.219	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnn[nH]1)n1cccn1	729457329	CMTKDWOYEPKBCD-ZCFIWIBFSA-N	249.234	-0.977	50	10	BBGE	
CC(C)COCCC(=O)NNC(=O)C(C)(C)O	768256649	VKNJIYYWQGJDLZ-UHFFFAOYSA-N	246.307	-0.033	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccc(F)cn1	773849102	RVMPZGSTJZQSNN-UHFFFAOYSA-N	226.211	-0.277	50	10	BBGE	
CS[C@H]1CCC1=NNC(=O)C(N)=O	819801291	HHKDOWQJMLBNDU-YFKPBYRVSA-N	201.251	-0.531	50	10	BBGE	
C[C@@H]1CC(=O)N(CCCC(=O)NN)C[C@@H](C)O1	829144561	CYKKWTXMLUOFKX-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccon2)n1C	1329274405	PIKRXWLJHAVHAE-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
O=C(NNC(=O)C1CC1)C1=C[S@@](=O)CCC1	1440410779	KMOZKRPTMBDFNX-INIZCTEOSA-N	242.300	-0.030	50	10	BBGE	
O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)c1cnn[nH]1	1543026706	JGTTYWVLZDKPOJ-LHLIQPBNSA-N	235.247	-0.244	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CCCCNC(N)=O	1557202270	KPBCAEPFKGCTEX-QMMMGPOBSA-N	246.311	-0.831	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	1641424790	YLWVTTTXVDASNU-PRJMDXOYSA-N	212.249	-0.438	50	10	BBGE	
C/C(C#N)=C/Cn1cnc2c(nnn2C)c1=O	1652896740	SLNXPRDLXNGCNO-CLTKARDFSA-N	230.231	-0.005	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@@H]1C[C@@H]1Br	1877334442	PIAFNHSNVFLTDY-RITPCOANSA-N	249.108	-0.026	50	10	BBGE	
NCC(=O)NC[C@@H]1C[C@H]1Br	1877357877	MDFLKJSGPBAMNX-CRCLSJGQSA-N	207.071	-0.155	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NC[C@H]1C[C@H]1Cl	1877392937	BPNNGEVEKURGJS-ULAWRXDQSA-N	218.684	-0.296	50	10	BBGE	
CC(C)CS(=O)(=O)NCC=CB(O)O	1892924655	PXRPLEUNQSVXQH-UHFFFAOYSA-N	221.087	-0.870	50	10	BBGE	
O=C(NC[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893454471	XDQZMRDCNWJJRB-YWIQKCBGSA-N	218.684	-0.690	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475372	SPYPTWIYZWTHMQ-KVTDHHQDSA-N	221.640	-0.436	50	10	BBGE	
CN(CCCO)CCC[C@@H]1C[C@@H]1C(=O)NN	1900526059	ICPVEPYQDFBTQB-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NNC(N)=S)O1	1900922212	LJGBAUXEFFZRNI-WDSKDSINSA-N	217.294	-0.192	50	10	BBGE	
Cc1nn(-c2nc(B(O)O)cs2)c(C)c1F	1902616644	ZIYSKRRSNINAIP-UHFFFAOYSA-N	241.056	-0.235	50	10	BBGE	
CC(=O)N[C@@H](CNC1CC(Cl)C1)C(=O)O	1909297285	YGANBNLSJREPFA-RRQHEKLDSA-N	234.683	-0.065	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1COC1	1915649537	BFOVGOOKLIPKMC-MRVPVSSYSA-N	201.270	-0.669	50	10	BBGE	
O=C(CCCCO)NNC(=O)C(F)(F)F	1923204196	YMLDTTHRHPKVHK-UHFFFAOYSA-N	228.170	-0.141	50	10	BBGE	
CC[C@@H](C)N(CCO)CC(F)(F)C(=O)NN	1935930170	GQWUPWMNJWQTGO-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1OC2	1935963843	WIFJRLMVIQDUQV-XLPZGREQSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1936094441	NEKCWKLGFRXUOS-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1CCCO1	1937138756	DNQRUTBUERQNLF-UHFFFAOYSA-N	225.028	-0.357	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1F	1937151563	ATHQLOIAJJBQMT-XSPKLOCKSA-N	231.271	-0.719	50	10	BBGE	
COC[C@@H](C)CN(C)CC1(C(=O)NN)CC1	1938248363	FGCARCSLPZTEBP-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@]1(C)CO	1938797989	AEUISZTXEDRHTF-KCJUWKMLSA-N	229.324	-0.152	50	10	BBGE	
CCN1CCCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941087449	BCWVRUQJBGTSIK-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
CCN(C)CCOc1cc(B(O)O)ccc1F	1943945957	PYASNUUPCXMSMQ-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)C2(CC2)C1	1944604211	ONNRIARGOWUXCO-BBBLOLIVSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cncn1C	1944728674	XPOKHCAVQGMUJT-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]1O)CC1(C(=O)NN)CC1	1945882667	LLGWWJSWOUIMFV-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CCN1C[C@H](O)[C@@H](N2CCC(O)(C#N)CC2)C1	1950683073	SMHNLWSQJXTDMX-QWRGUYRKSA-N	239.319	-0.598	50	10	BBGE	
Cn1cccc(OC[C@@H]2C[C@@H]2C(=O)NN)c1=O	1950721829	JDRBBNPNJYJDAI-YUMQZZPRSA-N	237.259	-0.610	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)CCO1	1954820453	IIDISCDOLGRSQZ-SFYZADRCSA-N	209.673	-0.721	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	1961815204	LBFNSIGNJOWCRH-BQHMLIOBSA-N	209.293	-0.047	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)C[C@@H](C)Cl	1962393745	QWUHCHSIZYKBNN-VXNVDRBHSA-N	239.699	-0.510	50	10	BBGE	
O=C(c1ncc[nH]1)N1CCC(B(O)O)CC1	1964501140	RPZLDWFIDORTJD-UHFFFAOYSA-N	223.041	-0.511	50	10	BBGE	
CC(C)OC[C@@H]1CCCN1C(=O)C(=O)NN	1976169943	GXVPTOMLHIGSPI-QMMMGPOBSA-N	229.280	-0.608	50	10	BBGE	
NNC(=O)CCCN1CC(F)(F)C[C@@H]1CO	1976198703	WKERAIZKDBZEEH-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@]2(C1)NC(=O)NC2=O	1980854539	SWQNOANGQUPARO-HZGVNTEJSA-N	242.666	-0.599	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC12COC2	1981143329	JWTBVTXVUAFQRN-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2(CCO2)C1	1981146378	XNSSMIKXZJNRRZ-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]1CS2	1981420375	KFFDRHKMMHRKPH-JGVFFNPUSA-N	236.105	-0.545	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cnsc1C(=O)NN	1981734080	JXKMGIITKYCFTK-YFKPBYRVSA-N	240.288	-0.133	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H](O)C[C@H]2C1	1986730576	SIGLRRNYOBTVHO-MYJAWHEDSA-N	227.308	-0.541	50	10	BBGE	
O=C1CO[C@@H]2CCN(C[C@@H](O)CCl)C[C@@H]2N1	1986841167	OTYHCYKZBUELSV-XHNCKOQMSA-N	248.710	-0.825	50	10	BBGE	
CCN1[C@@H](C)CN([C@H](C)C(=O)NN)C[C@H]1C	1987310944	XRKSYKHHECUJRP-KXUCPTDWSA-N	228.340	-0.221	50	10	BBGE	
CC(C)CC1(O)CN(CCCC(=O)NN)C1	1987882145	XLSMPCFZMMFUDY-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC(C)CC1(O)CN([C@@H](C)CC(=O)NN)C1	1987882188	YDVRKTBKQYOROS-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1OC2(C(=O)NCC=CB(O)O)CC1C2	1991329203	HXJQRPVNKYVJSC-JEUQWKINSA-N	225.053	-0.762	50	10	BBGE	
NC[C@H]1C[C@@H](CNC(=O)C=CC(=O)Cl)CO1	1991649251	ZGHJLRURPDIZET-JGVFFNPUSA-N	246.694	-0.212	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CCC(=O)NC1	1991704290	RDIFSSLDHOBBSZ-NUOXCJHRSA-N	244.678	-0.050	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NCC#CB(O)O)CC1	1992138323	GQNGVGUOZJPCGR-MGCOHNPYSA-N	223.081	-0.056	50	10	BBGE	
C[C@H]1CCCN(C(=O)NCC#CB(O)O)C1	1992142541	IHKKSYUQRRFCJF-VIFPVBQESA-N	224.069	-0.557	50	10	BBGE	
CCCN1CCN(C[C@H](C)C(=O)NN)C(=O)C1	2004289864	VIKWNQBZJRWWBV-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
CCN([C@@H]1CCNC1=O)[C@@H](C(=O)NN)C(C)C	2004315009	VTJOOLBDBIJQNU-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
COC1(CN(C)c2ccncc2B(O)O)CC1	2004930219	RZFJVNACRIOZQQ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(O[C@H]2CO[C@@H](C)C2)ncc1B(O)O	2004935052	UWJIBEZUJQMBCA-POYBYMJQSA-N	238.052	-0.979	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cc1F	2005017078	ZEMKQVBNDYGQKK-JGVFFNPUSA-N	238.071	-0.007	50	10	BBGE	
CC[C@]1(C)CCN1c1nc(C)ncc1B(O)O	2007186611	VOUZNWCJCANYSM-LLVKDONJSA-N	235.096	-0.156	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CCOC2)C1	2008873446	NUXCEGMLRJLYNW-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
C[C@H]1CNC(=O)CN1CCC(C)(C)C(=O)NN	2010567223	CAUPNZWFDZZAJF-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)[C@H]1C[C@H](O)C1	2010832992	NMZVCDFGCHNXCB-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC23COC3)C1	2010836086	WCDAAJGGIMZKEP-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
COCC(CCN1CC(=O)OC(=O)C1)COC	2014226920	VDBZRONUKZVVRZ-UHFFFAOYSA-N	245.275	-0.329	50	10	BBGE	
CCN(Cc1cnnn1C)C[C@@H](C)C(=O)NN	2019942019	VSARCNCGURAWGG-MRVPVSSYSA-N	240.311	-0.737	50	10	BBGE	
COc1ccnc(C(=O)NCC=CB(O)O)c1	2020056896	PJABNTYIPYMZPU-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	2022365297	SLQIDZVNQIFXNR-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)c1ncccc1B(O)O	2054287730	QJLFRAZBHDSURO-UWVGGRQHSA-N	248.091	-0.910	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]2CC[C@H]1C2	2058161348	UFLRYQHNTZVWES-DCAQKATOSA-N	247.103	-0.036	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(B(O)O)cc1C#N	2060308001	SOKQFINWCLNKMN-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN1CCCC12CN(c1ncccc1B(O)O)C2	2066487692	SHVIZLBUKUGBNW-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@H]3C2)n1	2068129736	PDHYDHPHFQGZPW-ZJUUUORDSA-N	247.107	-0.299	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2CCC=C2B(O)O)cn1	2076078067	DTZPDJJKSXVCFK-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
CC[C@@H](S[C@H]1CCNC1)C(=O)NN	2209390760	ATYFMJWIAUMSAH-NKWVEPMBSA-N	203.311	-0.150	50	10	BBGE	
O=C(CCl)NCc1[nH]ccc(=O)c1O	2210028925	HHRXUXVZUCNITK-UHFFFAOYSA-N	216.624	-0.065	50	10	BBGE	
CC/C=C\CCOc1ncc(B(O)O)cn1	2211606425	ODBDPNUSWCRXAF-ARJAWSKDSA-N	222.053	-0.109	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@H]1C[C@@H]1C(=O)NN	2211783893	XSOPACVBNCWPFM-WCABBAIRSA-N	225.292	-0.765	50	10	BBGE	
OB(O)c1ccnc(NC2[C@@H]3CC[C@@H]23)c1F	2212605523	GLDMSJYLJXBLNF-PHDIDXHHSA-N	222.028	-0.279	50	10	BBGE	
C#CCC(C)(C)Oc1cc(B(O)O)ccn1	2212605686	IVBQHDHUVKNNHI-UHFFFAOYSA-N	219.049	-0.058	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCC[C@@H]1O	2212899255	JSSZCNRGJJEOTO-UWVGGRQHSA-N	243.307	-0.611	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C[C@@H](C)N	2214593274	QSWGLWNWKURJAI-SNVBAGLBSA-N	236.124	-0.465	50	10	BBGE	
CCC[C@@H](CN)Oc1cc(B(O)O)c(C)cn1	2217166057	DDGFHTXHFZHGJD-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
C[C@@H]1C[C@@H](CN=c2ccc(B(O)O)c[nH]2)CO1	2217184803	WMTUMHWBYAEHIP-BDAKNGLRSA-N	236.080	-0.980	50	10	BBGE	
C[C@H](CN)C[C@@H](C)Oc1ccc(B(O)O)cn1	2217191800	LOBGUQRJRQCXHH-DTWKUNHWSA-N	238.096	-0.486	50	10	BBGE	
CCN(C[C@H](C)C#N)c1ncc(B(O)O)cn1	2217200137	QYHQLTWURSNKAU-MRVPVSSYSA-N	234.068	-0.858	50	10	BBGE	
OB(O)c1cnc(NC[C@H](F)C2CCC2)nc1	2217201426	YFUBMIDRTLKPNN-VIFPVBQESA-N	239.059	-0.294	50	10	BBGE	
C[C@H]1[C@H](Nc2ccc(B(O)O)cn2)CCN1C	2217203364	TZIQTOAJUYWXBC-WCBMZHEXSA-N	235.096	-0.734	50	10	BBGE	
OC[C@@H]1[C@H]2CN(Cc3cccc(B(O)O)c3)C[C@H]21	2220067172	KXMPTRNSYMBZOY-ITGUQSILSA-N	247.103	-0.964	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1c1ccc(B(O)O)cn1	2223653969	WLIVGNDOSHYHSF-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCNCC23CC3)c1	2223666712	KYUCKOSSYZJCEG-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H]3C[C@H]2CN3)nc1	2223668819	BQLFYTYYVOKKPR-LSJOCFKGSA-N	247.107	-0.686	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](Nc1cc(B(O)O)ccn1)C2	2223670836	DEMRLXQWMDRSKF-YUSALJHKSA-N	248.091	-0.259	50	10	BBGE	
Cc1nc(CCNc2ncccc2B(O)O)co1	2223680106	YSNUUMCTSFNXRP-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
COC[C@@H](C)NC(=O)C1(B(O)O)CC1	2241473617	MZTKDBPDDSIAKW-ZCFIWIBFSA-N	201.031	-0.856	50	10	BBGE	
COC1(C(=O)N[C@H]2C[C@H](Cl)C2)CNC1	2241654676	BGSXJSBIHICXGV-LJGSYFOKSA-N	218.684	-0.139	50	10	BBGE	
Cc1csc(CNC(=O)C#CB(O)O)c1C	2243356688	LOJUDRGMOXIZRJ-UHFFFAOYSA-N	237.089	-0.003	50	10	BBGE	
C[C@@H]1CCN(C(=O)C#CB(O)O)CC1(C)C	2243356989	PROOLHJEQBBOSI-SECBINFHSA-N	223.081	-0.104	50	10	BBGE	
NC1CCC(NC(=O)C2(B(O)O)CC2)CC1	2243363146	BPSWBKDDCATSFF-UHFFFAOYSA-N	226.085	-0.621	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)C2(B(O)O)CC2)CCN1C	2243365392	LYEQIOINWFEJRA-SFYZADRCSA-N	226.085	-0.798	50	10	BBGE	
C=CCCOCCNC(=O)C1(B(O)O)CC1	2243409682	MUIPIGATSHRAPQ-UHFFFAOYSA-N	227.069	-0.298	50	10	BBGE	
CCc1nc(C(=O)N(C)CC)c(B(O)O)s1	2243413762	MWEHUMHCVIHHSI-UHFFFAOYSA-N	242.109	-0.523	50	10	BBGE	
CN(CC1(N)CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2243415587	YDKRAXPCEITIOX-ZKCHVHJHSA-N	226.085	-0.811	50	10	BBGE	
Cc1csc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2243426950	OCLLMKIBDDRGNM-BQBZGAKWSA-N	240.093	-0.069	50	10	BBGE	
CC(F)(F)C(=O)Nc1cc(B(O)O)ccn1	2243662937	DHMXAOGVJQJECG-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C[C@@H]21	2244204982	CYAIZMKZRFGXCC-RCOVLWMOSA-N	221.021	-0.806	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H](F)[C@H](F)C1	2247721616	GZDXFESFCKISET-KNVOCYPGSA-N	244.990	-0.909	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](CCO)CC1	2247741425	ZLFNHGKWLVHZFN-JTQLQIEISA-N	239.080	-0.987	50	10	BBGE	
O=C(NC1CCC1)c1ccc(B(O)O)cc1F	2247752668	UDWFYNLQZKEUKA-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)C1(B(O)O)CC1	2247753563	ASDZZGLLASXTKB-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
C#C[C@@H](NC(=O)c1occc1B(O)O)C(C)C	2247757228	PLPJQQLHHQJBMI-SECBINFHSA-N	235.048	-0.653	50	10	BBGE	
Cc1cnn(C)c1CNC(=O)[C@H]1C[C@H]1B(O)O	2247797249	HPNCCTFVCKOSKW-JGVFFNPUSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247797316	ILNIEBUJSTXMMX-AATLWQCWSA-N	241.096	-0.341	50	10	BBGE	
CN(c1ncccn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798578	VPIWLEYWHLXKOK-ZKCHVHJHSA-N	235.052	-0.308	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCCC[C@H]2C1=O	2247847668	ABAOVESTVWGPSA-DTWKUNHWSA-N	235.048	-0.823	50	10	BBGE	
NC[C@H]1C[C@@](F)(CNC(=O)C2(B(O)O)CC2)C1	2247874410	LXLHCRWPPJFJLO-XWEPSHTISA-N	244.075	-0.813	50	10	BBGE	
O=C(NC1CC([C@H](F)CO)C1)[C@@H]1C[C@H]1B(O)O	2247887462	OLCVNHJFHYWBJQ-CDBVJKSLSA-N	245.059	-0.926	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2CC(B(O)O)C2)[C@@H]1O	2247904237	OZPHMHHTDRAGOU-YNTFGVKOSA-N	241.096	-0.485	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]2CC[C@H]1O2	2248366200	SOCDIQVGLZZMON-IVZWLZJFSA-N	237.064	-0.782	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248573899	LEVVYLAGHOJLHB-PRJMDXOYSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1C[C@H]1C(=O)O	2248588169	ZOXRUYSQNIHLST-WCMLQCRESA-N	241.052	-0.925	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248588523	DKOCOHXJLNJBHY-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1cc(B(O)O)co1	2249408075	DKISOAAQNRGVDC-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)co2)C1	2249420841	ZCMKLYWEVSPOBK-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1cc(B(O)O)co1	2249428694	FJKYBRDVSUBJHZ-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(B(O)O)c(C)c1	2251313430	SDVLLBMWCYXTGT-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
O=C(NCc1ccc(CO)cc1)C1(B(O)O)CC1	2255487002	IUJZHOQNTGWFCQ-UHFFFAOYSA-N	249.075	-0.198	50	10	BBGE	
Cc1ccc(C(=O)N2CC3(CC3)C2)c(B(O)O)c1	2255512477	AJAMEZKQJMSDCX-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(n2cccn2)C1	2255570770	JBAQRDXTYNFFEV-KYZUINATSA-N	249.079	-0.481	50	10	BBGE	
Nc1ccc(NC(=O)c2ccoc2B(O)O)cc1	2255681482	ZWNWAQGYWCIEND-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1CCOC1	2255682504	HZZSQNNCLWJMOO-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ncccc1B(O)O)C2	2255713651	FHJTVBPTBSJOIX-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@@]2(C)C1	2255730848	VJRJTHUJXXWVTM-UFBFGSQYSA-N	248.091	-0.813	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1CC=CC1	2257487465	NFDCKEVIIWTAER-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)[C@@H]1C[C@H]1B(O)O	2298370645	FRBFTFPUEYPUQQ-CDLYGTGVSA-N	238.096	-0.750	50	10	BBGE	
O=Cc1ccc(-n2cc(F)cn2)cc1B(O)O	2301421070	PIOLRFJTPRAPMT-UHFFFAOYSA-N	233.995	-0.496	50	10	BBGE	
C[C@H]1CN(CCC[C@H]2C[C@H]2C(=O)NN)C[C@@H]1O	2302568534	RNPHNJNLVCLHIH-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H](C1)C2O)C(=O)NN	2303420893	CIFDTBBEORVAIK-BLRASZIXSA-N	241.335	-0.295	50	10	BBGE	
CC(=O)N(C)C1CN([C@H](C)CCC(=O)NN)C1	2307908638	QPYKFMGWQHCHDJ-MRVPVSSYSA-N	242.323	-0.693	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3COC[C@@H]32)cc1B(O)O	2317350206	OXGMSOBPZLYIOO-CABZTGNLSA-N	247.059	-0.986	50	10	BBGE	
CCCNC(=O)C(C#N)=CNC[C@H](C)O	2324221171	SLBYYXVOHUMBBI-QMMMGPOBSA-N	211.265	-0.110	50	10	BBGE	
N#C[C@@H](C(=O)NNC(N)=O)c1ccccc1	34246328	ZTEIEXBQIATBBV-MRVPVSSYSA-N	218.216	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)n1cc(Cl)c([N+](=O)[O-])n1	70534692	KADIAGRRSPXBAH-VKHMYHEASA-N	233.615	-0.004	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCOCC1	82469354	WQJPTSPBPZYVFR-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COC[C@H](C)N(C)[C@@H](C(=O)NN)C(C)C	82469594	TWDOHAZBXJWMSN-DTWKUNHWSA-N	217.313	-0.032	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cnc(C#N)n1	82471708	OAWZRRNCYQYBSQ-ZETCQYMHSA-N	208.225	-0.663	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](C(F)(F)F)C1	83890493	SRXYQXONXURJSA-YFKPBYRVSA-N	239.197	-0.223	50	10	BBGE	
Cn1nnc(NC(=O)CBr)n1	127147839	RTJINJUIZPLXJE-UHFFFAOYSA-N	220.030	-0.457	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCC#N)C(C)C	232420002	HNIGZZBYDJIYDY-VIFPVBQESA-N	228.296	-0.385	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)C[C@@H]1C	302301034	FDRBOOQIAAJUKS-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC(O)(CO)CC1	306161757	GPOCCPXQQWOUCS-ZETCQYMHSA-N	221.684	-0.041	50	10	BBGE	
Cn1nnc(CN[C@@H]2COC[C@H]2Cl)n1	306196666	KYBIJHBRGWOZOC-PHDIDXHHSA-N	217.660	-0.694	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(O)(CO)CC1	306259329	RTPYCPFKMPILAU-QMMMGPOBSA-N	218.684	-0.063	50	10	BBGE	
NC1=NC(=O)CC([C@@H](Br)C(=O)O)=N1	306282908	IMDYNSORXGGYKZ-SCSAIBSYSA-N	248.036	-0.480	50	10	BBGE	
Cn1c(NC(=O)CCl)cc(O)nc1=O	306984964	VUAICNQAQLPIPL-UHFFFAOYSA-N	217.612	-0.337	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	307367476	ORMKRVSNNIZNAR-RNJXMRFFSA-N	215.322	-0.055	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)CCl)CC1=O	307705217	VFHUHHKFNDFYHR-RXMQYKEDSA-N	226.685	-0.667	50	10	BBGE	
CC[C@H](CSS(=O)(=O)O)NC(=N)N	308132025	JWOWPCPIPOMNGK-SCSAIBSYSA-N	227.311	-0.216	50	10	BBGE	
Cn1cnnc1[C@@H]1CCCN1CCC(=O)NN	310433763	QUFMYZPZXYBTMJ-QMMMGPOBSA-N	238.295	-0.668	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]2(CCN(C)C2)C1	310517750	MVRHAMNFKGEKIX-JQWIXIFHSA-N	240.351	-0.218	50	10	BBGE	
COC[C@](C)(NC(=O)NN(C)C)C(=O)O	328546845	ODEKDBAVQMWFDN-QMMMGPOBSA-N	219.241	-0.748	50	10	BBGE	
OC[C@@H]1CSCN1C[C@H](O)CCl	379321830	FTKVLEXMAQXMKZ-RNFRBKRXSA-N	211.714	-0.047	50	10	BBGE	
O=C(O)C1(c2cccc(B(O)O)c2)CCC1	380521044	XSGHKORSFDWTTF-UHFFFAOYSA-N	220.033	-0.127	50	10	BBGE	
CCN([C@H]1CCOC1)[C@@H](COC)C(=O)NN	381215581	FTZZDVCMPRFYNT-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(C)C1[C@H]2CN(CCCC(=O)NN)C[C@H]12	384653828	CJXUNCSMLKTOCA-IUCAKERBSA-N	226.324	-0.752	50	10	BBGE	
C[S@](=O)(=NC(=O)C(=O)NN)c1ccccc1	395944942	LTDUXOOOGSTHLN-MRXNPFEDSA-N	241.272	-0.340	50	10	BBGE	
N#Cc1cc2cc(B(O)O)c(CO)cc2s1	396217629	IQGKVCMLPCRGOQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc2cc(C=O)cc(B(O)O)c2s1	396260759	VOHNXGOHTYDFPU-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COc1cc(F)c([N+](=O)[O-])c(B(O)O)c1	575709512	YXYSLNJHBNECRI-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)nn1C1CC1	584881035	LWNSOIFOFMQLMN-UHFFFAOYSA-N	219.959	-0.083	50	10	BBGE	
CN(CCO)CCN(C)C[C@H](Cl)C#N	691265752	PFOMTYYXSFTJPP-SECBINFHSA-N	219.716	-0.027	50	10	BBGE	
Cc1cccnc1CCCNC(=O)C(=O)NN	693839740	PJVKRLJZMVJKNM-UHFFFAOYSA-N	236.275	-0.571	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](CC(C)C)C(=O)NN	695057851	AZKPSKITXGJBFG-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(N2CCC2)CC1	700430843	QJXRZBZRMMZAIB-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CN1C[C@@H]2CN(CCC(=O)NN)C[C@]2(C)C1	702397479	QNQHUFCZGRHDSB-KOLCDFICSA-N	226.324	-0.750	50	10	BBGE	
NC(=O)NNC(=O)CCc1ccncc1	705999298	YZLKIFLPMJVQCR-UHFFFAOYSA-N	208.221	-0.286	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]21	707904604	FOAALVPADZCZME-BIIVOSGPSA-N	211.265	-0.329	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](F)[C@H](F)C1	714557836	GITIRJRBPDODOR-XVMARJQXSA-N	207.224	-0.253	50	10	BBGE	
O=C(CBr)NCC#CCO	717490099	RJOSZKBGZOESMS-UHFFFAOYSA-N	206.039	-0.507	50	10	BBGE	
Cc1cc(C)nc(Cn2ccc(B(O)O)n2)c1	723619085	GQPVQCHBNUMIEO-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
C[n+]1[nH]cnc1CN[S@@+]([O])(=O)CCl	725599080	XJVLYZJYMKVINP-CYBMUJFWSA-O	225.681	-0.720	50	10	BBGE	
O=C1CCN(S(=O)(=O)CCl)CCCN1	725704026	RWJMEEOFMPBFDX-UHFFFAOYSA-N	240.712	-0.276	50	10	BBGE	
Cc1nc(C#N)cc(N2CC[C@H](B(O)O)C2)n1	900964673	HFFPZNZAOMJPNE-QMMMGPOBSA-N	232.052	-0.290	50	10	BBGE	
CCOCCOCC(=O)N1CC[C@H](B(O)O)C1	1331894410	DMPGIUOEWZEGAB-VIFPVBQESA-N	245.084	-0.885	50	10	BBGE	
C=CCONC(=O)c1ccc(B(O)O)cc1	1468108445	IPOLEDGNWWWJJY-UHFFFAOYSA-N	221.021	-0.786	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]1(C)CCCCO1	1625508636	ZVOAQLLPAHQIEK-SECBINFHSA-N	215.253	-0.094	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1ncccn1	1639386282	GSEGGPJCBWGDIV-NUOXCJHRSA-N	236.231	-0.825	50	10	BBGE	
Cc1nnc(NNC(=O)c2cc(N)ccn2)n1C	1646182909	QNNSVMWTROQBEU-UHFFFAOYSA-N	247.262	-0.142	50	10	BBGE	
O=C(F)NCc1cc(B(O)O)cs1	1882789151	HRPAGSCTOXIIQF-UHFFFAOYSA-N	203.003	-0.393	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(O)(CO)C1	1883643597	BPIOFHIYYIQAIB-RITPCOANSA-N	205.641	-0.821	50	10	BBGE	
C[C@H](CCCl)C(=O)N[C@H]1CONC1=O	1885940005	ZEIKWFKYMVFOGK-RITPCOANSA-N	220.656	-0.202	50	10	BBGE	
CN(N1C[C@@](C)(CCl)C1=O)S(C)(=O)=O	1888561515	DXWAXZJVGYWMTN-SSDOTTSWSA-N	240.712	-0.120	50	10	BBGE	
CO[C@H](CN)CNC(=O)/C=C/C(=O)Cl	1888837485	LUUKTFKUGDGPEH-YRFDSLTASA-N	220.656	-0.602	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1C[C@H](O)C1	1894121548	XKTLQIDMMOXYBB-XSPKLOCKSA-N	213.281	-0.933	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCCCN1)S(C)(=O)=O	1901341074	OPMFLDKVHQGOOY-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)c(F)cn1	1903021169	QRCNOLKBFZZXBJ-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1908898509	IPRDALHJKNZOIK-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CCOC(=O)[C@@H](N)C(=O)NC1CC(Cl)C1	1909272032	GDWPBIHFLOSMSM-AHXFUIDQSA-N	234.683	-0.237	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@H](C)C(=O)NN)C1	1912237147	OXVWFIBYLVZCMW-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CC1(C)C	1915703152	MFPUJFXFTZROHO-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2cc(CN)nn2)CC1	1917068094	SDUKDYFIPRSWEQ-UHFFFAOYSA-N	246.274	-0.581	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CCOC1	1927816412	MNBQNIONXPDNFR-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
C[C@@H](NC(=O)NN)[C@H]1CCCS(=O)(=O)C1	1928366572	YATLKAAAWPMUFW-RQJHMYQMSA-N	235.309	-0.627	50	10	BBGE	
CC(C)OCCN(C)CC(F)(F)C(=O)NN	1935933245	WKBQCHCHMFMYMP-UHFFFAOYSA-N	239.266	-0.032	50	10	BBGE	
CON(C[C@H]1CC[C@H](C(=O)NN)O1)C(C)C	1937112241	AECCPERBLXTCPV-RKDXNWHRSA-N	231.296	-0.204	50	10	BBGE	
O=C(Cn1cncn1)N[C@@]1(CCl)CCOC1	1937145276	HWEBKPHXYYXROF-SECBINFHSA-N	244.682	-0.208	50	10	BBGE	
Cn1nc2ccccc2c1C(=O)NNC(N)=O	1940728044	NBJJIHQCFHHSAW-UHFFFAOYSA-N	233.231	-0.114	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(OCC(F)F)C1	1941084955	AVNOOUSJTZPXBW-HTRCEHHLSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C2CCC1(CO)CC2	1941088353	PSPZXYVUGDHZCV-GWFPEYJASA-N	239.319	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(=O)[C@@H](C)C1	1941988648	KFZRSEFMFGBUIQ-YUMQZZPRSA-N	241.291	-0.689	50	10	BBGE	
CC1(C)COCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1942416956	WYSDHNVCSCILRH-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
C[C@]1(F)CCN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	1946920771	GUFHBJXRPONLRA-QXEWZRGKSA-N	245.298	-0.042	50	10	BBGE	
C[C@H]1CN(CCn2cc(B(O)O)cn2)C[C@@H]1C	1950188660	GCVHBPQPDGYSFH-UWVGGRQHSA-N	237.112	-0.849	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cc(O)c(O)c(O)c1	1952836224	JSTFLRBBFLNOBP-SFYZADRCSA-N	210.189	-0.312	50	10	BBGE	
Cn1nnnc1CN[C@@H]1C[C@H]1CCl	1954307574	FSRZVTHVYXTGKA-NTSWFWBYSA-N	201.661	-0.073	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(S(N)(=O)=O)C1	1955570906	BUEUCYYNFRQDET-ZCFIWIBFSA-N	240.712	-0.497	50	10	BBGE	
NNC(=O)CN1CCCC12CCOCC2	1958143257	OTTGEFVVFRDTNT-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
CC[C@H](O)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1959511000	KQDAMOVTYNDJOS-CIUDSAMLSA-N	215.297	-0.685	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(CCCCl)C2)N1	1961311935	ZMUMVCZCFZEOQL-SECBINFHSA-N	231.683	-0.101	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1CNC(=O)C(=O)NN	1974823959	DVSNLASEEMIUFZ-SPGJFGJESA-N	221.207	-0.616	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(COC)C1	1978982672	RGZBJJDBDBVRMI-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]2C[C@@H]21	1979020808	XTVMIQAYQWTBKQ-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ccncc1B(O)O	1981408633	CMLWGMIVAIEDHM-SFYZADRCSA-N	224.044	-0.302	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ncncc1B(O)O	1981415082	ZULVDGLGSLTNMH-YUMQZZPRSA-N	221.069	-0.751	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985464193	JNZGCHGWNCDCFX-LRPJSKTQSA-N	227.308	-0.829	50	10	BBGE	
OB(O)c1cnn(CC2(C(F)(F)F)CC2)c1	1989198434	IUZPYZGVJRAGAA-UHFFFAOYSA-N	233.986	-0.095	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(N)c(C)c1	1989371169	KGYDRJFEFCJERJ-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC(F)(F)C(=O)NN	1990041683	VCMMFOWYONSUEM-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
C=C(CN(CC(F)(F)F)C1COC1)B(O)O	1992145103	ICAPSFFMMRXUHX-UHFFFAOYSA-N	239.002	-0.182	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]1C1CCCC1	1992975659	ZSTNSEDHIGIMKO-DTWKUNHWSA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999846627	JEOJXFGZBDUZON-CSMHCCOUSA-N	249.261	-0.686	50	10	BBGE	
CC[C@@H]1CN(c2ccc(B(O)O)cn2)CCO1	2004919419	YRSRHYMVHSNFLZ-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CC(F)(F)C1	2004936087	USTYCZBUSCZBFY-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
CN(C)CCOCc1cncc(C(=O)NN)c1	2007003807	OFWJEJLTWORENB-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)C12CCC2)C(=O)NN	2016080535	OAHHPPAJBQKBFM-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cncnc1OCC1CC2(CC2)C1	2017333468	AEGIBTDSIGRPBW-UHFFFAOYSA-N	234.064	-0.275	50	10	BBGE	
OB(O)c1cnn(CC2Cc3ccccc3C2)c1	2058150936	PVGIAGMUMDKKOT-UHFFFAOYSA-N	242.087	-0.022	50	10	BBGE	
CCOc1cc(C#N)c(C=O)c(B(O)O)c1	2060187135	DSXXBBKXZUZZFS-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
OB(O)c1ccc(COCCn2cncn2)cc1	2064612257	VNFNNSKVIMVWTO-UHFFFAOYSA-N	247.063	-0.825	50	10	BBGE	
CN(C[C@@H]1CC12CCC2)c1ncc(B(O)O)cn1	2069259204	IOJJHSLZEDSYPB-VIFPVBQESA-N	247.107	-0.217	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccc(B(O)O)cc1	2079009185	PMANGINCTAQXHD-QWRGUYRKSA-N	245.087	-0.105	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1O)c1ccccc1B(O)O	2079011633	HCTIROIKMWLENP-QWRGUYRKSA-N	249.075	-0.990	50	10	BBGE	
O=C1COC[C@@H]2CN(C[C@@H](O)CCl)CCN12	2211718257	PYRRKSZVSOHETP-IUCAKERBSA-N	248.710	-0.871	50	10	BBGE	
CCN1CC[C@@H](OCCOCC(=O)NN)C1	2212247887	LNWXYXORXCHPLN-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CCSC2)[nH]c1	2212603516	OZXDCHDRZLRTHI-MRVPVSSYSA-N	238.121	-0.652	50	10	BBGE	
CC(C)[C@H](CO)Nc1ncccc1B(O)O	2212605655	ICMQVTQPXMSRFY-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
CO[C@H](C)COc1nccc(B(O)O)c1F	2212608681	KRZZANSOUZWOKN-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
OB(O)c1cnc(NC2(CCF)CC2)nc1	2212611051	UAFSSISWXOJAEC-UHFFFAOYSA-N	225.032	-0.540	50	10	BBGE	
C[C@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1	2214594270	DZDFWQNZAJLESX-VIFPVBQESA-N	233.076	-0.265	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2CC[C@@H]2C1=O	2215775139	GDCYJODMRJMQHE-KYXWUPHJSA-N	237.303	-0.129	50	10	BBGE	
N[C@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2217183083	FGIMBUIXKURMGP-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
CC[C@H](C)NCCOc1cc(B(O)O)ccn1	2217190044	KKTQSZXCAYRFSZ-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
COCC1CC(Oc2cc(B(O)O)ccn2)C1	2217194830	DAYMJCQIQGFBNZ-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
CC1(C)NCC[C@H]1Nc1ncccc1B(O)O	2217199304	LKRSEHUXNPFIBQ-SECBINFHSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@@H]2C2CC2)nc1	2217201806	ZOLKEUMIVINSNH-ZJUUUORDSA-N	233.080	-0.243	50	10	BBGE	
CC(C)OCCCN=c1cc(B(O)O)cc[nH]1	2217205213	VPMJPXVYGZXOOO-UHFFFAOYSA-N	238.096	-0.590	50	10	BBGE	
O=C1C[C@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220061338	DJGXHFNBAUUDKR-MNOVXSKESA-N	245.087	-0.265	50	10	BBGE	
OB(O)c1cccc(CN2CCC[C@H](O)CC2)c1	2220061466	FCCZKBVJBDJVMO-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C[C@@H]1N	2220062117	FSNPYKVFACEQEH-MFKMUULPSA-N	248.135	-0.465	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1ccno1	2222241610	KDBIRWHNQUFYDF-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
NCC[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2223673645	GWXWYOCZDXUQLM-VHSXEESVSA-N	249.123	-0.309	50	10	BBGE	
O=C(Nc1nccs1)[C@@H]1C[C@@H]1B(O)O	2241481682	XJJFTDVEIHZNLP-UHNVWZDZSA-N	212.039	-0.056	50	10	BBGE	
C[C@H]1CCN1C(=O)N[C@H]1CCC=C1B(O)O	2242824053	TVXHINYGZRNQSM-CBAPKCEASA-N	224.069	-0.109	50	10	BBGE	
CC(C)N(O)C(=O)c1ccncc1B(O)O	2243347440	LSFMYKQPVAEOPT-UHFFFAOYSA-N	224.025	-0.999	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)s1	2243350064	VAHMXSLULXZYKF-SSDOTTSWSA-N	237.089	-0.290	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C#CB(O)O)[C@H](C)[C@@H]1C	2243357233	TWDPNMZVRCFAJS-GJMOJQLCSA-N	223.037	-0.969	50	10	BBGE	
COc1ccccc1NC(=O)C#CB(O)O	2243357640	ZJRMUTGTNHJOPS-UHFFFAOYSA-N	219.005	-0.351	50	10	BBGE	
CCCN(O)C(=O)c1nc(C)sc1B(O)O	2243358875	LOLMSPANYQGNIH-UHFFFAOYSA-N	244.081	-0.627	50	10	BBGE	
C=C(CC)CNC(=O)c1ncsc1B(O)O	2243359605	UXBFUODXMSAPKU-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(NCCc1ccoc1)C1(B(O)O)CC1	2243363099	BAARKPCCYYSGSU-UHFFFAOYSA-N	223.037	-0.055	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)C[C@H]1N	2243364184	SHUJGDSDZQPOCZ-RQJHMYQMSA-N	226.085	-0.765	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC(CF)C1	2243377180	WAJYIVSDOGIIOR-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
CN(C(=O)c1csnc1B(O)O)C(C)(C)C	2243377529	AXFPXAMYVWZYFF-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CC=CC1	2243382781	RXDDZZUYVCOAEC-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
CCN(O)C(=O)c1sc(C)c(B(O)O)c1C	2243383218	VTZOIMMWFPDOAH-UHFFFAOYSA-N	243.093	-0.104	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243391547	LTMSJDLPLATWID-VGMNWLOBSA-N	226.085	-0.988	50	10	BBGE	
N[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)CC1	2243408957	YGIDIRQUSSHQOH-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)O	2243410878	JJWAPQNVRAAKHO-SSDOTTSWSA-N	229.085	-0.341	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1C(=O)C1(B(O)O)CC1	2243411047	MYEXRKJOJIHYFN-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1csnc1B(O)O	2243412498	NZLYHVKIWKQUSH-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
CC(C)(C)OCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427357	UHAHCQKQGSNMLT-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H]1Cl	2243698378	RQIGFCJGUKVDFE-BQBZGAKWSA-N	240.455	-0.673	50	10	BBGE	
C[C@H](O)[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245913536	TUFSNWGOADKPEZ-RITPCOANSA-N	244.487	-0.404	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1CN(C)C1	2246804877	RSFINEXYLBBTPV-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2247732584	HUGGDGZUNVVXDB-MBTKJCJQSA-N	235.048	-0.512	50	10	BBGE	
O=C(N1CC[C@@H](CCO)C1)C1(B(O)O)CCC1	2247735192	LIOLIMIRODKRQY-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1cc(B(O)O)c[nH]1	2247737513	HMJCTIRHOGDKHQ-VIFPVBQESA-N	236.080	-0.221	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CCCO1	2247752373	ODHDCLRMSIQILT-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1c(F)cccc1B(O)O	2247752981	ZNCOEWRLAGRAJG-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
C[C@@H]1CNCCN(C(=O)C2(B(O)O)CCC2)C1	2247757564	WMBHYJZKHAPXPG-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
CCCCN(C)C(=O)c1ncncc1B(O)O	2247772348	TZFKNHHNPVTNCJ-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
CCC/C=C/CNC(=O)c1n[nH]cc1B(O)O	2247782857	YHFKZGNCNISJHV-SNAWJCMRSA-N	237.068	-0.824	50	10	BBGE	
O=C(N[C@@]12CCNC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786881	IAMLPYKHEPCOPK-SDNRWEOFSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790105	FQNBPFGDZLZLCY-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
C[C@@]1(CNC(=O)C2CC(B(O)O)C2)CCNC1	2247806979	PKVGBGLQGUYRQB-NWGYLPEXSA-N	240.112	-0.645	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H]2[C@@H]1CO	2247810140	VBJHVBNWDPIFAN-VHGJHBJISA-N	239.080	-0.921	50	10	BBGE	
O=C(NCCCc1cn[nH]c1)[C@H]1C[C@H]1B(O)O	2247810156	VGJIILZWCPYAFM-DTWKUNHWSA-N	237.068	-0.679	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(CC(F)F)CC1	2247841675	LFRBPMUSOSZERG-UHFFFAOYSA-N	245.034	-0.104	50	10	BBGE	
O=C(NC1CC(CF)C1)c1ccc(B(O)O)o1	2247842719	ZESBOCFWLGQUIA-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
O=C(C#CB(O)O)NC1(C2CCOCC2)CC1	2247848574	NOLQZYKGXFPHPV-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)CO1	2247855520	UCKOKPSEIAPVFA-XFWSIPNHSA-N	241.096	-0.219	50	10	BBGE	
COCC1(CN(C)C(=O)C2(B(O)O)CC2)CC1	2247873249	HJZAZUWPXCDFSE-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@H]21	2247887971	UIUBRULMSYXPKZ-SPFKKGSWSA-N	239.080	-0.779	50	10	BBGE	
O=C(NCCC1CC(O)C1)C1CC(B(O)O)C1	2247892845	ISONKXHRIHNRNA-UHFFFAOYSA-N	241.096	-0.483	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247894455	GZNLZFIBVKDMGD-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCC1(O)CCCC1)[C@@H]1C[C@@H]1B(O)O	2247894871	LRYDJHFVVGWRSE-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@H]1CN2CC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247895235	QGXXFOAPALSLTN-AATLWQCWSA-N	238.096	-0.940	50	10	BBGE	
CCOC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247897640	VLKQOWYDCYTBPB-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247898039	ZTKJXTZMMZXJQV-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
NC1(C2CN(C(=O)[C@H]3C[C@@H](B(O)O)C3)C2)CC1	2247906693	ZZMPLCNJVQYAKH-OTSSQURYSA-N	238.096	-0.811	50	10	BBGE	
O=C(N[C@H](C(=O)O)C1CC1)C1CC(B(O)O)C1	2248587777	UNSVBLCSWRTXLY-RRQHEKLDSA-N	241.052	-0.781	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2250322855	GSCMCKICUWQOAP-BIIVNPBRSA-N	239.080	-0.921	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2251311897	ZDKDTCUAALXSCY-JGVFFNPUSA-N	241.052	-0.828	50	10	BBGE	
N=c1ccc(NC(=O)c2coc(B(O)O)c2)c[nH]1	2255456470	OMHKKBJJKMFZGV-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255473587	NEYDOPXGGPTVBY-SECBINFHSA-N	248.091	-0.267	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1occc1B(O)O	2255484113	IGITYOORJDWYOA-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NN2CCCC2)c1	2255512587	BZZJPXUPYZBMAJ-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(C)cc(B(O)O)c1	2255513814	YHPZIMBJVRUCDB-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3c[nH]nc3B(O)O)[C@@H]1C2	2255572137	VURXDDPWDYRWTG-VAOFZXAKSA-N	249.079	-0.992	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(B(O)O)cc1C	2255677632	JXHKNKDFCLTFRF-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@H]1C[C@@H]2C[C@@H]2C1	2258125511	QXBRTPMGKXQVMW-DIYOJNKTSA-N	249.075	-0.170	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)c(N)c1	2258846402	ZAYQBKCYBTZSPH-UHFFFAOYSA-N	248.047	-0.977	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369004	FOLUUMCWPWFIDC-MSLAYNRJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](CN)C1	2298376336	SKKBWXUBBXVLCT-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376489	YSLJRKSVCDOSFO-YIZRAAEISA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC[C@H]1C[C@H]1C(=O)NN	2300370504	KULIRFNHGRBCCP-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@@H]2C[C@H]1CO2	2300382986	BRTAZVVTKXIQQH-NAKRPEOUSA-N	239.319	-0.134	50	10	BBGE	
CC(C)=C(CN1C[C@H]2C(N(C)C)[C@@H]2C1)B(O)O	2301964467	KQVDNSOMWADXFL-NXEZZACHSA-N	238.140	-0.173	50	10	BBGE	
CC[C@@](C)(CN1CC2(CC(O)C2)C1)C(=O)NN	2303424210	OQGSBFGKRFTJES-NSHDSACASA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1COCCN([C@H](C)CCC(=O)NN)C1	2306798636	GZDCBVIAWGJCJV-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@H](C)[C@H]3C2)ncc1B(O)O	2312066158	BQHMOKHCRQLFBF-SZEHBUNVSA-N	247.107	-0.443	50	10	BBGE	
C[C@H]1CN(C(=O)CCCC(=O)NN)C[C@@H](C)O1	58844367	UGVTTXWDBKYNRH-DTORHVGOSA-N	243.307	-0.218	50	10	BBGE	
O=C1COCC(=O)N1CCOCCCl	82513486	NTUHSXUPJQEBCH-UHFFFAOYSA-N	221.640	-0.373	50	10	BBGE	
CC(C)OCCN(C)[C@@H](C)C(=O)NN	87980011	WQHVWQNSSPFZDE-QMMMGPOBSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@H]2C[C@@H]2C1=O	113289698	HGRWEBUUNKSLLB-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
COC(=O)c1cnc(NNC(C)=O)c(N)c1	143241243	HZKJEXKSSXSVCR-UHFFFAOYSA-N	224.220	-0.087	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCOC1	161693371	UNFXLXZGNHOBKN-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C=C(C)CCOCCn1cc(C(=O)NN)nn1	164329994	PPYGJDBUJODYRG-UHFFFAOYSA-N	239.279	-0.136	50	10	BBGE	
Cn1nc(-c2ccccc2F)cc1B(O)O	200722116	RDTBHOSYRJTBOU-UHFFFAOYSA-N	220.012	-0.094	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CCCCO2)c1	203524262	YFYIGSCRDPXPSV-JTQLQIEISA-N	237.064	-0.291	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NC(=O)[C@@H](C)N1	210608768	WJKZAPHSOKQRTG-VEDIPHOLSA-N	209.205	-0.607	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](N)C1	211988605	YUUBMGGCSILIEN-DTWKUNHWSA-N	214.313	-0.432	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1CO)C(=O)NN	251110441	OXXALLLOQRPPME-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
N#CC1=CC(CN2CCOCC2)=NS1(=O)=O	260289257	VZVVFNYXDXTZKK-UHFFFAOYSA-N	241.272	-0.490	50	10	BBGE	
C[C@H](CN1CCC[C@H](CCO)C1)C(=O)NN	300229439	UQJNUYGMKZRTLM-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
O=CNNC(=S)NC[C@@H]1CCCO1	306442661	YMPLHNINBZOMLX-LURJTMIESA-N	203.267	-0.710	50	10	BBGE	
OCCO[C@H]1CNC[C@H]1Br	306902161	PQQWWIJYBOIJHY-RITPCOANSA-N	210.071	-0.269	50	10	BBGE	
Nc1csc2cc(B(O)O)cc(O)c12	307488605	FBXYRGVZMZPTLU-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@H](NCC(=O)NNC(C)=O)C(C)C	309446627	JYHPYLTVWBHPSH-VIFPVBQESA-N	231.296	-0.586	50	10	BBGE	
O=C1CN(CCn2cc(Cl)cn2)CC(=O)O1	309466268	VWIKPEMASUVPQU-UHFFFAOYSA-N	243.650	-0.078	50	10	BBGE	
CNC(=O)C[C@@H](C)NC(=O)NC(=O)[C@@H](C)Cl	322747458	BQKFJJQWAHOSCC-PHDIDXHHSA-N	249.698	-0.036	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1C2	382115884	LKWXEUSADKDFIW-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
NC(=O)[C@@H]1CC(=O)C(/C=C/C=O)=C(N)C1	383980388	WQOQIPABAOYUEZ-IPWVHJGXSA-N	208.217	-0.581	50	10	BBGE	
C[C@H](CN1CCC[C@@H](O)[C@H]1C)C(=O)NN	384897996	MWWNWZFUQMDWPS-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1[C@H](C)CCC(=O)NN	384951609	VKKQJBZJIZGTND-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1nnnn1C	389384350	NPHSKANLHNCBJZ-SCSAIBSYSA-N	246.658	-0.837	50	10	BBGE	
O=CCCc1cc(B(O)O)cc(C(=O)O)c1	396128675	BATSHNBAMGCQJE-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1CC(=O)O	396135249	WLNHMAGVQYRBRY-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
O=C(C[C@H]1CCOC1)Nc1ccccc1B(O)O	404943427	MQZLCZBFOBCGLZ-SECBINFHSA-N	249.075	-0.269	50	10	BBGE	
C#CCOC(=O)Nc1ccc(F)cc1B(O)O	405076957	IHTHRPRWDHQGCB-UHFFFAOYSA-N	236.995	-0.313	50	10	BBGE	
Cc1sc(Br)nc1B(O)O	584881591	XHEPIWQJCNEDQY-UHFFFAOYSA-N	221.872	-0.106	50	10	BBGE	
Cn1cnnc1CN[C@H]1COC[C@@H]1Cl	689532560	IJSMDGKFCIUMQE-BQBZGAKWSA-N	216.672	-0.089	50	10	BBGE	
Cc1cnc(Cn2nc(C)c(B(O)O)c2C)cn1	694227586	IEMHBRIGOGSELN-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
COc1ccc(Cn2ccc(B(O)O)n2)cc1	694269557	JHXJAQDZEMYDPR-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1n1ccc(B(O)O)n1	694277866	USLSWUKCARVKCY-JGVFFNPUSA-N	210.042	-0.697	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)C(=O)NN)s1	697793190	SEDJVEPGKHXDPD-YFKPBYRVSA-N	229.309	-0.343	50	10	BBGE	
CN(CC(=O)NNC(N)=O)C(=O)c1ccco1	700876567	IKVZCXBREFQLRK-UHFFFAOYSA-N	240.219	-0.949	50	10	BBGE	
C[C@H]1COC[C@H]1C(=O)Nc1cccc(B(O)O)c1	705213364	BIADZWSREHVANP-GZMMTYOYSA-N	249.075	-0.413	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](N)CC2CC2)CC1	709387198	VSPAFAFEESZLKM-JTQLQIEISA-N	237.303	-0.009	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC([C@@H](C)O)C1	719807117	MGZKHSGRNNIFBU-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721714266	GHJRTUYWYWEPCK-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2COCC[C@H]2C1	724223114	DCBTWXAUYCAHGX-DJLDLDEBSA-N	241.291	-0.702	50	10	BBGE	
CC[n+]1cc(C2=NC(CCl)=[S+]C2)[nH]n1	725689258	VUAZPBFYFDHOIN-UHFFFAOYSA-O	230.724	-0.029	50	10	BBGE	
Cn1cccc(C(=O)NNC(=O)C2CCC2)c1=O	732293077	XNGGBAJCXAQRRI-UHFFFAOYSA-N	249.270	-0.054	50	10	BBGE	
CN(NC(=O)CS(=O)(=O)N(C)C)C1CC1	819649308	ANSFNXXQUNXLON-UHFFFAOYSA-N	235.309	-0.997	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CC1)[C@@H]1CCCS1	854984584	DRANOZRZUZHTFL-JGVFFNPUSA-N	244.316	-0.200	50	10	BBGE	
Cc1nnc(NNC(=O)[C@]2(C)CCOC2)n1C	856046602	NSVWFLXWJOFBMY-SNVBAGLBSA-N	239.279	-0.007	50	10	BBGE	
C/C=C/CNC(=O)NNC(=O)c1cnn(C)c1	858889116	YNJIIZYNLZGBCW-ONEGZZNKSA-N	237.263	-0.060	50	10	BBGE	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N1CC[C@H](B(O)O)C1	864231360	MBPHRFMCSHKSKF-FWWHASMVSA-N	241.052	-0.828	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](O)c1cnc[nH]1	868242212	GGLXPCJNDZCHDK-QMMMGPOBSA-N	228.252	-0.948	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1CCCN(C)C1=O	908112549	FEOMRJIJJDLKSY-ZETCQYMHSA-N	243.263	-0.416	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(C)C1=O	910144454	IOTUQENUFZIHEI-RKDXNWHRSA-N	243.307	-0.801	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccnc2[nH]cnc12	910154695	FCBQCYHOJJYOGK-ZETCQYMHSA-N	249.274	-0.085	50	10	BBGE	
Cc1cnn(CC(=O)NNC(=O)c2cn[nH]c2)c1	1131738493	SHWADOSQYOQUHN-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
O=C(NCCCCl)C1CS(=O)(=O)C1	1182814889	FMZCWZNFIGPDJG-UHFFFAOYSA-N	225.697	-0.224	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCc2nncn2CC1	1290392389	WLEBQYIOZNKCLR-QMMMGPOBSA-N	237.263	-0.602	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC[C@H]1C[C@@H]1C	1318943206	UQICVVZMTXKXDQ-NTSWFWBYSA-N	229.236	-0.854	50	10	BBGE	
O=C(NCCF)c1cccc(B(O)O)c1	1639804981	NAHCYUFRDZWUSE-UHFFFAOYSA-N	211.001	-0.934	50	10	BBGE	
CS(=O)(=O)N[C@@H](CCCl)C(=O)O	1881573349	FOUCEMSNLLUJJP-BYPYZUCNSA-N	215.658	-0.382	50	10	BBGE	
CS(=O)(=O)NCc1nc(CCl)no1	1883191023	UYEFZMAREQPDOF-UHFFFAOYSA-N	225.657	-0.142	50	10	BBGE	
C[C@@H](COCCCC(=O)NN)N(C)C	1884723634	DACMYRAFIOGIAD-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC[C@](C)(NC(=O)C(=O)NN)C(F)F	1885391150	IAXLFEHPPOOEQS-ZETCQYMHSA-N	209.196	-0.474	50	10	BBGE	
CS[C@@H](C(=O)NNCCO)C1CC1	1886655669	CTOAECFMGNTLLQ-SSDOTTSWSA-N	204.295	-0.259	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCO1	1889749886	HTBQYDZTRCGQQK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CN1CC(=O)N(C[C@@H]2C[C@H]2Cl)C(=O)C1	1893098028	GPRGREYHZWYOAI-NKWVEPMBSA-N	216.668	-0.086	50	10	BBGE	
COCC1(O)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1893447044	UUBJNXIOQYGLAN-RNFRBKRXSA-N	219.668	-0.167	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)/C=C/C(=O)Cl)[C@@H]1O	1897376073	DXBNTWYEAHVPIG-IWUIAWNVSA-N	247.678	-0.038	50	10	BBGE	
CC(C)N1CCN(CCCC(=O)NN)C1=O	1901284317	NTVQVOGZKHBCGS-UHFFFAOYSA-N	228.296	-0.098	50	10	BBGE	
C[C@@H]1CCCN[C@H]1C(=O)NN(C)S(C)(=O)=O	1901338901	FECXPGXVJGMAFD-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)C1(N)CC1)S(=O)(=O)C1CCC1	1901343692	ZJWAQLLGTFVLJT-UHFFFAOYSA-N	247.320	-0.677	50	10	BBGE	
COC[C@H](OCc1ccncc1)C(=O)NN	1901614207	WOPWISNVUURDQB-VIFPVBQESA-N	225.248	-0.397	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1901869844	HQYLWTMGYPBWAO-QEYWKRMJSA-N	227.308	-0.136	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnns2)C1	1902523002	VWLSUVCXEDTTFJ-MRVPVSSYSA-N	241.081	-0.383	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](CO)C1)C(=O)NN	1902707602	CQYDWBQJOFVQAF-ONGXEEELSA-N	229.324	-0.293	50	10	BBGE	
CCC1CN(c2cc(B(O)O)c(F)cn2)C1	1903011161	XSWLKZDSSRPLCD-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)CCCCC(=O)NN	1907704419	PIXNSWBATUAWTA-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2COC2)CC1	1909699985	RCXBCCQZRGINAZ-UHFFFAOYSA-N	210.233	-0.490	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914011589	SXGUFISUMAVXMA-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
N[C@H]1C[C@H]1NS(=O)(=O)CBr	1923227846	POLALRBJFLWHLE-IUYQGCFVSA-N	229.099	-0.642	50	10	BBGE	
CN(C)NC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)O	1927183804	ZDBWVMDCTJTVMJ-JGVFFNPUSA-N	245.279	-0.216	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCO2)O1	1928677257	WORYBDUVVUVSQU-SFYZADRCSA-N	215.253	-0.839	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COC[C@H]1Cl	1928685428	PURBIGCTLBVANN-RQJHMYQMSA-N	230.655	-0.600	50	10	BBGE	
O=C(CCCCl)NCCn1cnnn1	1928856429	DQAKIDRBIXSYEY-UHFFFAOYSA-N	217.660	-0.192	50	10	BBGE	
CC(C)CN(CCO)C[C@H](C)C(=O)NN	1933486757	BNOKEOLQPHRUKK-VIFPVBQESA-N	217.313	-0.437	50	10	BBGE	
Cn1nnc([C@@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934445407	HXAZAESSNLNBSN-RFZPGFLSSA-N	236.684	-0.671	50	10	BBGE	
C[C@@]1(C(=O)NCB(O)O)C[C@@H]1C(F)(F)F	1935093301	OWJRHEPSJDMUSS-UJURSFKZSA-N	224.975	-0.297	50	10	BBGE	
COCC(C)(C)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936093809	HQXJGPHAGSTLRA-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@@H](C)[C@@H]1C	1936533034	KJIDBRDUCZTKQE-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
COC1CCN(CCOCC(=O)NN)CC1	1936534739	LIAHLRXXCWYGTA-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
C[S@](=O)N1CCc2c(cccc2B(O)O)C1	1937505759	CTVORBWZLBWSFQ-INIZCTEOSA-N	239.105	-0.982	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@@H](O2)C1=O	1940888884	ZOHHUIBSTLJXBN-NTSWFWBYSA-N	249.217	-0.999	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@@H]1C[C@H]1C(=O)NN	1941087209	LYZCRWGHKIHWIJ-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
N#Cc1cccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1941089993	XZYQPFVWVZEOOQ-IUCAKERBSA-N	232.243	-0.654	50	10	BBGE	
COC[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941093322	GHLDRKKHGIMXFD-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
CNC[C@@H](O)CN(C)C[C@H](Cl)C#N	1954216696	ZGXQDXZMHMCYTH-HTQZYQBOSA-N	205.689	-0.371	50	10	BBGE	
N#CC1(O)C[C@@H]2CS(=O)(=O)C[C@H]2C1	1954523298	CQIIHCHONOSLPN-RNFRBKRXSA-N	201.247	-0.304	50	10	BBGE	
O=C(N[C@@H]1C[C@@H](O)C[C@@H]1O)OCCl	1954819044	JUJNNVMTYQAFSW-PBXRRBTRSA-N	209.629	-0.207	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@H](O)CCl)CC[C@@H]12	1960147070	BFZNNHQKKUKFSM-IWSPIJDZSA-N	232.711	-0.346	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCC[C@H](C1)C2O	1960705856	BCRFPJYFZOWQSK-JWHQNHQBSA-N	213.281	-0.931	50	10	BBGE	
COC1([C@@H](N)C(=O)NN(C)C)CCCC1	1961693489	YTLUGRMAUWHEDU-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(=O)N1CCCC12CCOCC2	1975955866	COTKEYJHZTWGGY-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
CC1(C)CCN(c2ccc(B(O)O)cn2)C1	1981413227	DAJRQSDUBHZCRJ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
OB(O)c1ccc(N2C3CCC2CC3)nc1	1981413451	GUNQLOUHCJEYII-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
CCN(CC)CCO[C@@H](COC)C(=O)NN	1982849402	QGUXVRWUZNSTLE-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](F)[C@@H](CO)C1	1983556904	CHRBYMJPHVQICE-HLTSFMKQSA-N	233.287	-0.593	50	10	BBGE	
C[C@H](CN(C)[C@@H]1COC2CC1C2)C(=O)NN	1986053043	ITBGLQWFXJDHQO-SEZDTBSWSA-N	227.308	-0.278	50	10	BBGE	
CCC1(CC)C[C@H](NC(=O)C(=O)NN)CO1	1988315692	LCLCWHARGUBMBV-ZETCQYMHSA-N	229.280	-0.560	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@]1(O)CCCOC1	1991652643	PJAQBWKQQQLPLW-SNVBAGLBSA-N	247.678	-0.034	50	10	BBGE	
NC(=O)CC[C@@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1991682240	ICKXIZLWGCCEMF-NGJCXOISSA-N	248.666	-0.551	50	10	BBGE	
NCC1(NC(=O)/C=C/C(=O)Cl)CCOCC1	1991704507	SYMSJIAUVYSSKS-OWOJBTEDSA-N	246.694	-0.068	50	10	BBGE	
O=C(NCC(F)F)c1ccccc1B(O)O	1992835527	CNSFJJLDJHWEOA-UHFFFAOYSA-N	228.991	-0.639	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccno1	1993848414	STBMLFFZOWRZSN-MRVPVSSYSA-N	228.252	-0.889	50	10	BBGE	
Cc1cc2c(s1)CCN(C(=O)C(=O)NN)C2	1995049044	WBQKHRWQKIJGAL-UHFFFAOYSA-N	239.300	-0.069	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCC[C@@]2(CO)C1	1997169557	FDMRFOAKISLFAZ-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CC(C)N1C(=O)CN(C[C@@H](C)C(=O)NN)C1=O	2003828950	UCJXJEQYEFJTSO-SSDOTTSWSA-N	242.279	-0.715	50	10	BBGE	
Cn1ccnc1[C@@H]1CCCN1CCC(=O)NN	2004408618	YNZQSJVDTSNBDW-VIFPVBQESA-N	237.307	-0.063	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1ncccc1B(O)O	2004950189	BZXJTMOEETYOJI-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCOCC1	2005015539	BNZYPSZYENQPMM-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
C[C@H](O)[C@H]1CN(CC(C)(C)C(=O)NN)CCO1	2005913034	NXUMJJNFIOHWJY-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CCC(C)(CC)C(=O)N[C@H](CB(O)O)C(=O)O	2011191605	DKKWHGULGMOETN-SSDOTTSWSA-N	245.084	-0.145	50	10	BBGE	
COC12CC(C1)N(CCC(F)(F)C(=O)NN)C2	2013068369	VTESRKCLKLAGLN-UHFFFAOYSA-N	249.261	-0.135	50	10	BBGE	
O=C(NCB(O)O)c1cccc(OCCF)c1	2015497085	AACKIQFILSKOTD-UHFFFAOYSA-N	241.027	-0.223	50	10	BBGE	
COC[C@@H](OC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)NN	2016499997	MQUPKZUWOMSWEU-AKAZAXMMSA-N	240.303	-0.090	50	10	BBGE	
CN(C[C@H]1C[C@]12CCCOC2)C(=O)C(=O)NN	2021195138	PTXHDNQVRTYNCC-KCJUWKMLSA-N	241.291	-0.749	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@H](C2)C3)ccc1B(O)O	2021439442	OAAJKHIMMPIBDE-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CC=C[C@H](O)C(=O)NNC(=O)c1cnn(C)c1	2053284919	ZVYVCMLCDBMSOU-QMMMGPOBSA-N	238.247	-0.882	50	10	BBGE	
CN(C)C1CN(Cc2ccc(C(=O)NN)nc2)C1	2056630054	BTAVJFKGMCVKKM-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
CCOc1c(OC)cc([N+](=O)[O-])cc1B(O)O	2060016887	JLDUPWJZGHFWHO-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCc1cc(OC)cc(OC)c1B(O)O	2060060641	ZSPNYGCJWSUDGJ-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
N#Cc1cc(Cl)c(B(O)O)cc1C=O	2060099908	DYCUDUCOUODEIQ-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(Cl)cc(C=O)c1B(O)O	2060131234	BMNSVXNFDMKGPS-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2CC2(C)C)ncc1B(O)O	2069481662	ZDGDCHFVZTTYAI-SSDOTTSWSA-N	249.079	-0.551	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41	2086993509	GKEQUIRPQIFPBB-OXUPGJKPSA-N	243.071	-0.350	50	10	BBGE	
Cn1nccc([C@H]2C(=O)NC(=O)[C@H]2Cl)c1=O	2211120073	ZBKSKCDMSZYLME-RITPCOANSA-N	241.634	-0.872	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](F)C2)c1F	2212605493	FTPFMHZFYIJTHP-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
CCN[C@H](C)CNc1cc(B(O)O)ccn1	2212611709	CBNURNZXGLLMCQ-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)CC1(O)CCC1	2215777144	QVCBTKLWEDMLDB-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC23CCC3)nc1	2217173755	UJXXVRPEUULOMD-VIFPVBQESA-N	233.080	-0.099	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Oc1ncccc1B(O)O	2217173810	QRTMGYPYOUFSFO-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
C[C@@]1(N)CCCN(c2ccc(B(O)O)cn2)C1	2217176069	QYYNUHKENAXOCV-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
CNCC1(Oc2ncccc2B(O)O)CCC1	2217180151	FQUHMZPWSCWVBZ-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)N1CCC1	2217180269	GHGFGHGFIHZHJB-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
N[C@H]1CC[C@@H](COc2cc(B(O)O)ccn2)C1	2217193863	PBHJGSPKSCGFAN-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C1(CO)CC1	2217197501	NDKXADWPVSPXLE-QMMMGPOBSA-N	236.080	-0.666	50	10	BBGE	
CC(C)(C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2217202767	ZQQKZWPYAFJQSM-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
C#C[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217205306	XBOMAXDMZGLBQH-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN3CCC[C@H]23)c1	2223669280	ICCIKTHLWYFOLA-GHMZBOCLSA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCN1C1CC1	2223670892	FADCSAFFTIPBPC-SNVBAGLBSA-N	247.107	-0.590	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)s1)C(F)F	2243357200	SRNZHGBRFFFWOP-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C#CB(O)O)CCS1	2243362312	PHICQQKKHIYABP-MRVPVSSYSA-N	241.121	-0.208	50	10	BBGE	
CC[S@](=O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243373599	SIZLADRWYWJKNW-DELOJEAUSA-N	247.125	-0.876	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(CCO)C1	2243382444	OHXULUOKSAUZHU-DTORHVGOSA-N	227.069	-0.920	50	10	BBGE	
C[C@H]1CCC2(CC2)N(C(=O)C#CB(O)O)C1	2243404909	WMIMAROKXDVBRD-VIFPVBQESA-N	221.065	-0.207	50	10	BBGE	
COC[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2243410951	LAJMLTPVTDDAKO-QMMMGPOBSA-N	229.085	-0.218	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)sn1	2243414565	CZXKMHJZJKSMJV-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NN1CCC1	2243420226	OUCOXHOSODBUAW-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243420568	VQXCJHQJZFGVPA-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243769525	VBBQXABQFFWRNY-LYFYHCNISA-N	229.041	-0.781	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCC[C@H]1CC2	2245181767	CTIXOQJVWWCCNO-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CC[C@H](O)CN2)CC1	2246497831	QJHLETBKKNFLFS-WDEREUQCSA-N	235.287	-0.218	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O	2246598688	OHSYUDXKZBQILN-FAYXRDSDSA-N	237.259	-0.993	50	10	BBGE	
C=CCCN(C)C(=O)c1ccncc1B(O)O	2247721803	IFIYJISALGLPNI-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
O=C(N1CC(O)(C2CC2)C1)C1(B(O)O)CCC1	2247733579	OLDTXMPYEXIYBN-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
CCCc1cc(=NC(=O)C2(B(O)O)CC2)[nH][nH]1	2247754674	HFVWIHPNMPJQBP-UHFFFAOYSA-N	237.068	-0.270	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCOC2)[C@H]1C[C@@H](B(O)O)C1	2247787535	QIOLVPACKNQTBX-QCBRBAQYSA-N	239.080	-0.465	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)NC(C)(C)C	2247795244	FPCMLZFYCPGCFQ-UHFFFAOYSA-N	239.084	-0.889	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247798190	QWVDNOJPUXISFR-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
COC1CC(N(C)C(=O)C2CC(B(O)O)C2)C1	2247803686	CPPTYDQNUXSJAU-UHFFFAOYSA-N	241.096	-0.125	50	10	BBGE	
O=C(Nc1ccc(O)nc1)[C@H]1C[C@H](B(O)O)C1	2247804356	GQXBSNRZFDQPQL-LJGSYFOKSA-N	236.036	-0.021	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)CC12CC2	2247804382	GWSJHOMPQVLLQK-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CO[C@@H](C2)C1	2247806466	NHJJMVYRWMZSGP-NFTFJBJSSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1CNC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247809290	OSONMCHHWVHELB-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
CN(C[C@@H]1CCC(C)(C)O1)C(=O)C#CB(O)O	2247847575	ZBKKIPMPMHEOQB-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ncccc1B(O)O	2247869151	MQBOLFWAWCZYAF-IONNQARKSA-N	234.064	-0.710	50	10	BBGE	
O=C(N1CCC2(CCO2)CC1)C1(B(O)O)CC1	2247871950	JYFPQXIFGVRPOT-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC=CCC1	2247877507	HPTISPLABSDHRN-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247895017	NFKFCXYKCIYIFM-KZVJFYERSA-N	245.059	-0.517	50	10	BBGE	
O=C(NCC1(O)CCCCC1)[C@H]1C[C@@H]1B(O)O	2247896787	KIUKHZMNYBNDAI-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)on1	2247897488	SZIFXCRWFQHPQM-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
CC1(C)OCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898560	FOBMMFULBZJJAP-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@](C)(CN)N(C)C(=O)C1CC(B(O)O)C1	2247909998	LTXPSJFVGBHHAC-AMUVOQDHSA-N	242.128	-0.175	50	10	BBGE	
O=C(C#Cc1ccccc1)NCC#CB(O)O	2248420714	ZNMHCZAFZLUPGL-UHFFFAOYSA-N	227.028	-0.830	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccnc(F)c1	2249998862	ODMQOSSPNVGZIN-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ncccc1B(O)O	2255515913	DOKDTKXEORGYMP-JTQLQIEISA-N	248.091	-0.368	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1ccc(B(O)O)cn1	2255518661	NJADYCUZBOUEKL-PRHODGIISA-N	248.091	-0.463	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@@H]1C2	2255668844	FRSGUMZUUCTKNW-YGOYTEALSA-N	248.091	-0.387	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC[C@H]2C[C@H]21	2255671127	MZBHDOVILFDYPW-JVUFJMBOSA-N	248.091	-0.435	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1[C@H]2C=CC[C@H]1CC2	2255693107	OTZCXRJRFJZBBR-UWVGGRQHSA-N	247.059	-0.108	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2coc(B(O)O)c2)C1	2255731905	MYUJCFCNEIEOAJ-WPRPVWTQSA-N	247.059	-0.509	50	10	BBGE	
C=C(C)CN(C(=O)c1cc(B(O)O)n[nH]1)C1CC1	2255765182	MQUTVJKPSIOUIS-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
CC(C)=CCNC(=O)c1ncc(C)cc1B(O)O	2255789563	JFEFIRMQFUTPSN-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
Cc1cccnc1NC(=O)c1cocc1B(O)O	2258131386	UEMAQCMPXQIRBH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2258153661	VVORPYGLFUEGQB-CIOUSYIGSA-N	247.059	-0.560	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(B(O)O)ccc1C	2258286992	OBYVBYBNGHBCKO-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1ncco1	2263400480	BRENVBWODCEWKD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N[C@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370713	IKHNRRJEFKUBMK-UTINFBMNSA-N	240.112	-0.517	50	10	BBGE	
CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376679	IRKHOXLPNLRCDC-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
O=Cc1ccc(O[C@H]2CCOC2)cc1B(O)O	2301422911	MJBYCVDNMJWEAV-JTQLQIEISA-N	236.032	-0.653	50	10	BBGE	
C[C@H](COc1cccnc1[N+](=O)[O-])C(=O)NN	2301607209	BXMVYZASIIOFDE-ZCFIWIBFSA-N	240.219	-0.005	50	10	BBGE	
O=C(c1ccc(O)nc1)N1CC[C@H](B(O)O)C1	2303103622	GDPKIRYITKDPRZ-QMMMGPOBSA-N	236.036	-0.524	50	10	BBGE	
NC[C@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848102	UCMFMCLRNWRTGI-MUWHJKNJSA-N	239.059	-0.950	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cc2C#N)CN1	2317163641	YRILGWPBYLSSAD-GZMMTYOYSA-N	245.091	-0.600	50	10	BBGE	
CC(=O)NCCNC(=O)NC(=O)[C@H](C)Cl	36746639	XVEWCTNNVUCRSB-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
CN1CCC[C@@H](N(C)CCCC(=O)NN)C1	82468606	MRQFUVBDRCPCPO-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
Cn1ccnc1SCCC(=O)NN	82471803	GRIJTYOUGSTKGQ-UHFFFAOYSA-N	200.267	-0.108	50	10	BBGE	
C[C@H](Sc1nc(N)cc(N)n1)C(=O)NN	82472902	ULSDSULYTCTKHM-VKHMYHEASA-N	228.281	-0.889	50	10	BBGE	
N[C@@H](CCl)C(=O)N[C@H](CCl)C(=O)O	111456963	VFVOOLWBPFEFKL-IUYQGCFVSA-N	229.063	-0.639	50	10	BBGE	
CN(C)NC(=O)N1CCC(C(=O)O)CC1	149066824	BWGDXABKRQAVKK-UHFFFAOYSA-N	215.253	-0.031	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCC[C@@H]1O	158249017	JQEYGROASRHDOL-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
COC(=O)[C@@H](Cl)C(O)(O)C(F)F	196200279	XFYMFDWIVJAJTK-UWTATZPHSA-N	204.556	-0.287	50	10	BBGE	
OB(O)c1ccc(CO[C@H]2CCOC2)c(F)c1	203528032	JITULSMNPWNNNV-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
CC(C)n1c(=O)[nH]c2cc(B(O)O)ccc21	204597519	NVNXNJSJFYRILC-UHFFFAOYSA-N	220.037	-0.410	50	10	BBGE	
OB(O)c1nccnc1OC(F)(F)F	238639468	FHSTUSZGUGQYPU-UHFFFAOYSA-N	207.904	-0.945	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2c(c1)OCCO2	258961373	GVIQPAHDJOZWQP-SECBINFHSA-N	223.232	-0.553	50	10	BBGE	
Nc1csc2c(N)c(B(O)O)ccc12	307027603	CVVGRABROFMMCJ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@H](O)[C@@H](C)NS(=O)(=O)CCl	307646559	BMDFQPKFHSDVLS-UHNVWZDZSA-N	201.675	-0.129	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[S@@](=O)CC1	321844237	FTSFLZYUZMTNPC-VXJOIVPMSA-N	233.337	-0.791	50	10	BBGE	
C/C(=N\NC(N)=O)[C@](C)(O)CC(=O)O	379341349	MOJQHGSAMNVBSY-WDTYERQASA-N	203.198	-0.744	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@@H](C)Cl	379365637	JMODWJVFJPEOQI-NKWVEPMBSA-N	209.673	-0.185	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSC[C@@H](C)C1	380335635	GFLAMRSQTJXLNQ-DTWKUNHWSA-N	247.364	-0.324	50	10	BBGE	
CC(C)(C)OC(=O)c1ccc(B(O)O)nc1	380646406	FQUNVXAOXDMSLD-UHFFFAOYSA-N	223.037	-0.283	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1[C@H](C)CC(=O)NN	381962751	HQPMGAAFONPWJD-UTLUCORTSA-N	228.340	-0.221	50	10	BBGE	
NNC(=O)c1occc1CN1CC(O)C1	384116432	IKICDNHJHXBGIM-UHFFFAOYSA-N	211.221	-0.940	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384724620	IVFWTHIQURYBCI-YTWAJWBKSA-N	240.351	-0.507	50	10	BBGE	
C[C@H](CN1C[C@H]2C(N(C)C)[C@@H]2C1)C(=O)NN	384733077	KBZKFUWIJCLMJZ-IWSPIJDZSA-N	226.324	-0.896	50	10	BBGE	
CSC[C@H](C)NC(=O)NNC(N)=O	388316794	VJJWXBGPBUGHTA-BYPYZUCNSA-N	206.271	-0.380	50	10	BBGE	
CC(=O)NC1CN(CCCCCC(=O)NN)C1	388818536	LEWPLASYFWYTJY-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
COC(=O)/C(C#N)=C1/NCC[C@H]1C(=O)OC	390235300	KEDQRLMVYFTJFO-UCTBAKFRSA-N	224.216	-0.280	50	10	BBGE	
Cc1ncsc1C(=O)NNC(=O)[C@H](C)N	390659366	RTPKJWCPSJZUGO-BYPYZUCNSA-N	228.277	-0.440	50	10	BBGE	
N#CCc1cc2nc[nH]c2cc1B(O)O	396076492	CBJHTBFHOLXWNZ-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
Nc1cc2cc(C(=O)O)sc2cc1B(O)O	396235788	BSTRYMTUEAFLJS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1ccnc(B(O)O)c1	404908218	GJHNHLZMVLJLEF-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)CN(C)C)c1	405033179	PMSLPPXRLGMFRA-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCn2cncn2)CC1	692149107	UHPVPONGDXHEEK-UHFFFAOYSA-N	249.274	-0.455	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CN[C@H]2C3)CC1	692177152	IGLFGOOOAMNWJW-KXUCPTDWSA-N	235.287	-0.529	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H](CO)C1	696797398	SRCJNJFMSJVDBD-SNVBAGLBSA-N	243.307	-0.752	50	10	BBGE	
CN(C)NC(=O)N1CCS[C@H](C(=O)O)C1	699212297	GVMREZWWDGZONN-LURJTMIESA-N	233.293	-0.325	50	10	BBGE	
COC[C@H](CCO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703446544	WWNGKNOXIVQZOR-CIUDSAMLSA-N	243.259	-0.700	50	10	BBGE	
Cc1cn(C)nc1COc1ccc(B(O)O)cc1	723955335	QTCGYJRORVVIJO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CN(C)C(=O)NC[C]1CC=C(B(O)O)S1	725687352	ZPMQQLZTIDCALN-UHFFFAOYSA-N	229.090	-0.178	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C)cc(O)n1	814620031	AAFRVLSKPCBYNJ-UHFFFAOYSA-N	224.220	-0.331	50	10	BBGE	
CC(C)(C(=O)NNc1nc[nH]n1)n1cccn1	857260973	CIETVZPDEODBSS-UHFFFAOYSA-N	235.251	-0.120	50	10	BBGE	
CN(NC(=O)[C@@H]1COC(=O)N1)c1ccccn1	862747495	RZENOMCJJJTROZ-ZETCQYMHSA-N	236.231	-0.343	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=c2cc[nH]cc2)CCN1	1324541007	KCAMHQYVQVLMAO-VIFPVBQESA-N	248.286	-0.137	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cnncc1O	1546090520	USSDQLLQZLHJMU-UHFFFAOYSA-N	239.235	-0.512	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc[n+]([O-])c1	1641601303	OZKHGCGVKVSBCV-UHFFFAOYSA-N	234.219	-0.795	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@H]2CC[C@H]1O2	1654621524	GTVMAXIUYDEQIM-FSDSQADBSA-N	223.236	-0.185	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H]2Br)COC1	1883530492	BZDIOUQSHCVVMJ-NTSWFWBYSA-N	249.108	-0.386	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@@H]1C[C@H]1Cl	1883643294	AADDNWUWZKXAQC-PHDIDXHHSA-N	204.657	-0.936	50	10	BBGE	
CN(C)NC(=O)N[C@@H](CCF)C(=O)O	1884926770	LPFFPYLMMHLMGS-YFKPBYRVSA-N	207.205	-0.425	50	10	BBGE	
O=C(CCCCl)N1CC[C@H](O)[C@H](O)C1	1887705460	WXDYZOCGIRCCLQ-JGVFFNPUSA-N	221.684	-0.041	50	10	BBGE	
CCC[C@H](COC)C(=O)NNC(N)=O	1890271194	ZVMQNVWRYVFHMO-ZCFIWIBFSA-N	203.242	-0.251	50	10	BBGE	
O=[S@@](NCC=CB(O)O)C1CCCC1	1892923877	KTGZLMMGJIDBOG-CQSZACIVSA-N	217.099	-0.250	50	10	BBGE	
O=C(O)C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1893454370	WIEACHMBIILKGV-SRQIZXRXSA-N	221.640	-0.435	50	10	BBGE	
C=C(COCCOCCOC)B(O)O	1895149688	RYFSVDBOZVFKTI-UHFFFAOYSA-N	204.031	-0.766	50	10	BBGE	
C=C(COCCOCC1CC1)B(O)O	1895191634	RAJAMQVDOLGYQA-UHFFFAOYSA-N	200.043	-0.002	50	10	BBGE	
CC[C@]12C[C@H]1CN(CC(=O)NNC(C)=O)C2	1897041337	KRHDFNSLAVTCJM-GXSJLCMTSA-N	225.292	-0.114	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@H](C)C[C@H]2C1	1898082130	UJWSERJQVYGNNL-XFWSIPNHSA-N	227.308	-0.421	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)c1nc[nH]n1	1901358977	WGGGPYYOULOBEX-UHFFFAOYSA-N	247.280	-0.879	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2[C@@H]3COC[C@@H]32)C1	1902546727	RBTPXQPFTLAOTB-VLEAKVRGSA-N	225.097	-0.182	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C=CCC1	1913642110	RKESKRDLSAQFNF-QMMMGPOBSA-N	232.048	-0.334	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)NC1CC1	1913667380	FXFIPGSQEVMIEZ-UHFFFAOYSA-N	221.025	-0.955	50	10	BBGE	
C#CCN(CCF)CC(=O)NNC(C)=O	1924034256	RXHVXCTUHPSEHW-UHFFFAOYSA-N	215.228	-0.942	50	10	BBGE	
NC(=O)CO[C@@H]1CCCN(C(=O)CCl)C1	1928133003	PAVCQQCHYPESHX-SSDOTTSWSA-N	234.683	-0.282	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@@H](CCl)C1	1928695578	DLEBTHYECCUQTP-ZETCQYMHSA-N	229.671	-0.240	50	10	BBGE	
Cn1nnnc1CNC[C@@H](Cl)CF	1930556942	ADEPMKAZTJEJNI-YFKPBYRVSA-N	207.640	-0.123	50	10	BBGE	
NNC(=O)C1(CSCCCON)CC1	1931267607	WRLAZFUQYAZKMJ-UHFFFAOYSA-N	219.310	-0.230	50	10	BBGE	
NNC(=O)COCCN1CC(C2CC2)C1	1933056384	KBSHGQAUEIEPIN-UHFFFAOYSA-N	213.281	-0.665	50	10	BBGE	
CCSC1CN([C@H](COC)C(=O)NN)C1	1933225253	DYCPAYHCJHNBMW-MRVPVSSYSA-N	233.337	-0.571	50	10	BBGE	
CN1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1936084402	NBBKZTKCKPBYAH-VHSXEESVSA-N	226.324	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1COC2	1936094554	OHTWCUVBBRPRDN-AATLWQCWSA-N	225.292	-0.524	50	10	BBGE	
CCn1cc(OC[C@@H]2C[C@H]2C(=O)NN)cn1	1936095157	UMVQNFFNNRSIBY-IONNQARKSA-N	224.264	-0.092	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@H]1C(F)(F)F	1938502751	ZQBBKSMHBOOZMY-CRCLSJGQSA-N	239.197	-0.367	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941074648	TYMIVIIAJODHFH-OUAUKWLOSA-N	240.351	-0.504	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1C	1941088626	RLVYJYBFEUVBHL-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)[C@H]1CCCCO1	1941482433	LLVQSHGZYRJAIV-MRVPVSSYSA-N	243.307	-0.312	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC(C)(CO)CO	1954239475	OAWKRNXPKPQWGU-ZCFIWIBFSA-N	209.673	-0.137	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@H]2COC[C@H]21	1955249145	OKEUMRQMLRUWQN-XVMARJQXSA-N	241.696	-0.796	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)OCCl	1955275761	ANCMQIBTOAXYQC-SSDOTTSWSA-N	227.644	-0.721	50	10	BBGE	
O=C(CCl)NC1CN([C@@H]2CCOC2)C1	1956727522	SMJAEUUFSYXTIB-MRVPVSSYSA-N	218.684	-0.186	50	10	BBGE	
CC[C@@H]1CCN1c1ncc(B(O)O)cn1	1961681002	RRNXSIBZLGIQSD-MRVPVSSYSA-N	207.042	-0.855	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](F)C1	1961696995	USJDZJOMCDOMGZ-SSDOTTSWSA-N	210.017	-0.690	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCC[C@@H]1F	1962628321	BISSXKXMVNAEAB-BQBZGAKWSA-N	217.244	-0.285	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(F)(F)C[C@@H]1CO	1976196680	DSQOIRLYVDESKS-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(NC(N)=O)C1	1977996607	QYDWTTSICKBGQL-BYPYZUCNSA-N	248.670	-0.798	50	10	BBGE	
CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NNCCO	1978674507	VNVBWOSFCIJCJJ-GMSGAONNSA-N	230.264	-0.654	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC12CC2	1979191692	RCTFERWGNGGJLR-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(CCOC2)C1	1981046122	QFKHFESFQJGBPQ-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CC=CC2)n1	1981422185	LCHDTLDJPNXRHR-UHFFFAOYSA-N	220.037	-0.438	50	10	BBGE	
OB(O)c1csc(N2C[C@@H](F)C[C@@H](F)C2)n1	1985768702	BHPGEWJVMADESD-OLQVQODUSA-N	248.063	-0.291	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H]1COC	1988556420	GAJRXNPHSHVYNJ-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1Cl	1991679662	LYKJKYAQYPPUQA-CSMHCCOUSA-N	245.710	-0.840	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C2CC2)C1)B(O)O	1992160148	SJMYDQWBZQQIKG-LLVKDONJSA-N	224.113	-0.277	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]1C1CCC1	1992920035	SCGFLCIUNWDEMS-ZJUUUORDSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1C[C@H]2CN(CCOCC(=O)NN)C[C@H]12	1995063885	BPOOPRZGMATJJM-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@@H]3C[C@H]32)nc1	1995199179	LYYULEHFMRFNLG-FTLITQJKSA-N	220.037	-0.666	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1[C@H]2CC[C@H]12	1997528968	JAFVJQYQMKWQTB-YUMQZZPRSA-N	231.060	-0.039	50	10	BBGE	
CO[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)NN	1998883813	KPHGBDQMBWCIQB-JGVFFNPUSA-N	243.307	-0.314	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](CN2CCCC2)C1	2003904592	JDUYEKRZVGPDKX-NSHDSACASA-N	240.351	-0.216	50	10	BBGE	
CC[C@@H](COC)N(C)c1ccc(B(O)O)cn1	2004916579	NBGKJQLITKLJAQ-JTQLQIEISA-N	238.096	-0.377	50	10	BBGE	
CCCN(c1ccc(B(O)O)cn1)C1COC1	2004917507	WUQJXBLWGINQIR-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C)[C@@H]2C)c1B(O)O	2004971976	YUXWKNFQLBYEHA-APPZFPTMSA-N	235.096	-0.300	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@H]2C[C@H]21	2005018706	XHJPMFDBNBNEHB-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@H]1C(F)F	2006816709	KFRLADPWGMLVEQ-PRJMDXOYSA-N	249.261	-0.422	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@@H]2C[C@H]2CO1)C(=O)NN	2009369253	VBQOQACVXVFBIF-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN(C)C[C@]12CCOC[C@H]1C2)C(=O)NN	2018566077	XCTVFRWONPNJGF-CKYFFXLPSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]2COC[C@H]21	2019213855	XANOBVXBXNAZLY-NXEZZACHSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cn(C)cn1	2019218828	HMQFKVJGEQFCTO-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
CCON(CC)CC12CC(C(=O)NN)(CO1)C2	2023853323	LEADLKSXPSRIOT-UHFFFAOYSA-N	243.307	-0.201	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC[C@H]3C[C@H]32)n1	2026067817	IXXQRKGLLTWGPV-QXFUBDJGSA-N	234.064	-0.358	50	10	BBGE	
CCN1CCN(c2ccncc2B(O)O)[C@H](C)C1	2052465831	DDCLLPBBGVKRHC-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1Cc2ccc(B(O)O)cc2C1	2055633854	WBGBKCBKOBENBF-MNOVXSKESA-N	249.050	-0.433	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1Cc2ccc(B(O)O)cc2C1	2055633856	WBGBKCBKOBENBF-WDEREUQCSA-N	249.050	-0.433	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1Cl	2060017429	WEDAVURLSHCKIC-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(F)c1B(O)O	2060100655	POAGJRKTOZJYSK-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCOc1ccc(B(O)O)c(OC)c1C=O	2060134349	WXQYZXQCPNVBAW-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
Cc1c(C#N)ccc([N+](=O)[O-])c1B(O)O	2060307490	HHFSJUJLMFBDKV-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
OB(O)c1cccnc1NC1CSC1	2210060375	JTGBNQXTWGJDFC-UHFFFAOYSA-N	210.067	-0.711	50	10	BBGE	
OB(O)c1ccc(CN2CC3(COC3)C2)s1	2211078978	QLJAQQCYGXNJMW-UHFFFAOYSA-N	239.105	-0.740	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cnccc1=O	2211839151	QGEKPDXNUUKHGJ-SFYZADRCSA-N	222.248	-0.741	50	10	BBGE	
OB(O)c1ccnc(N2CC3CC2C3)c1F	2212603823	JGJHXFGZVNJRLB-UHFFFAOYSA-N	222.028	-0.501	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)N(C)C	2212609988	AJXMHSJTLZABIY-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)c1cccn(C)c1=O	2213170242	NYHBWUKJQUVIES-MRVPVSSYSA-N	238.291	-0.410	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC=C[C@H]1CO	2215770461	BUPHOQFEUFSRHN-GARJFASQSA-N	239.319	-0.375	50	10	BBGE	
C[C@]1(CO)CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215773079	AMNPOVOACBMKOK-FOGDFJRCSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1ccnc1[N+](=O)[O-]	2215775390	GQJSUKJTHQWUFK-NKWVEPMBSA-N	239.235	-0.193	50	10	BBGE	
Cc1cnc(NC[C@@H](N)C(C)C)cc1B(O)O	2217180522	UDHCAFSQJYONGP-SNVBAGLBSA-N	237.112	-0.535	50	10	BBGE	
NC1CC(CNc2nccc(B(O)O)c2F)C1	2217182100	ZBIAELPBAKKAIW-UHFFFAOYSA-N	239.059	-0.950	50	10	BBGE	
CCC[C@@](C)(N)COc1ncc(B(O)O)cn1	2217191497	KGIRKIVDVISBDN-SNVBAGLBSA-N	239.084	-0.947	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058463	LQCCGUUIUSAZFC-CMPLNLGQSA-N	249.119	-0.431	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(Cc2cccc(B(O)O)c2)C1	2220061160	AXZMCROZERRIBQ-GXFFZTMASA-N	248.135	-0.465	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC3(CCC3)[C@H]2O)c1	2223627997	OPPRETULXDAZBQ-ONGXEEELSA-N	248.091	-0.523	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)c(C)cn2)co1	2223648622	NTNUTNWALPFOFZ-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]c1	2223671944	CBBHQNJHJXHYBY-BBBLOLIVSA-N	247.107	-0.574	50	10	BBGE	
CCN1CCC[C@H]1CNc1cc(B(O)O)ccn1	2223675008	OOEWAHKQNNYYOO-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2c2ncon2)c1	2223679801	UPTGIFJHLWBPMY-MRVPVSSYSA-N	246.035	-0.904	50	10	BBGE	
COc1ccc2c(c1)CCN(C(=O)C(=O)NN)C2	2223983321	NBFRUEKPXWZEEH-UHFFFAOYSA-N	249.270	-0.430	50	10	BBGE	
NC1(C(=O)N[C@H]2C[C@H](Br)C2)COC1	2242404806	KMFFDEHCQAFOAL-IZLXSQMJSA-N	249.108	-0.244	50	10	BBGE	
O=C(NC[C@@H]1CCCO1)C1(B(O)O)CCC1	2243347259	KBTFXBBIBGSMGV-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@]12C[C@@H](CF)C2	2243349852	RJYUELZSWBPPFA-CZMCAQCFSA-N	225.028	-0.648	50	10	BBGE	
CC1(CNC(=O)c2ncsc2B(O)O)CC1	2243359298	QKLQAEMAYDGVDT-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
Cc1cccc(C(=O)NC(C)C)c1B(O)O	2243367187	PEKIZGKWBITYHZ-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
Cc1cc(C(=O)N2CC=CC2)oc1B(O)O	2243377594	CORXBKWURSDUQI-UHFFFAOYSA-N	221.021	-0.720	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243391371	JYWQSWPYCUHRGY-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)OC(F)F	2243395740	BIPQMSRMEAOQDO-SRQIZXRXSA-N	237.011	-0.407	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243397161	WQTDGUWNYGDLLA-KVPKETBZSA-N	225.053	-0.367	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)sn2)C1	2243398560	RREZGFCJIXJNMQ-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
COC(OC)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243410519	COFZNSCFMHPEQP-ZCFIWIBFSA-N	231.057	-0.883	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243427068	PRYDVLWTFCPLCP-XAVMHZPKSA-N	227.069	-0.657	50	10	BBGE	
C#CC1(Nc2ncccc2B(O)O)CCC1	2244938719	HCCXGGJGBHZKNT-UHFFFAOYSA-N	216.049	-0.271	50	10	BBGE	
O=C(C#CB(O)O)NC1([C@H]2CCCO2)CCC1	2247742967	WVVLTPULPUDUDK-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
O=C(NCC1CC=CC1)c1ccoc1B(O)O	2247744115	NTSMOCZFMPIVJW-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cc(B(O)O)c[nH]1	2247744542	UQWYZXIMZNQGOB-VIFPVBQESA-N	234.064	-0.774	50	10	BBGE	
COCCN(C(=O)C#CB(O)O)[C@@H](C)C1CC1	2247744550	USMDCZMHZUZJCI-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](CO1)C2)C1(B(O)O)CC1	2247756194	RWDJMXLCIPNOSQ-SCZZXKLOSA-N	239.080	-0.321	50	10	BBGE	
C#C[C@H](C)NC(=O)c1c(C)cccc1B(O)O	2247760041	ASOHRNMULDPHRC-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)cn1C	2247762560	ICZGOGJNFDBJEI-UHFFFAOYSA-N	240.068	-0.882	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2247765809	FMRKWRBPBPLRLD-QMMMGPOBSA-N	236.080	-0.601	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1CC(B(O)O)C1	2247797464	JUKWWCVDAIUGHT-RTBKNWGFSA-N	242.128	-0.175	50	10	BBGE	
CN1CC[C@](C)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247807069	HDOGTWGMPGUESB-FXPVBKGRSA-N	240.112	-0.693	50	10	BBGE	
CNCC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247810414	XFFGDQHGIHIUSB-VHSXEESVSA-N	240.112	-0.693	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]1c1ccccc1	2247849581	BQUSZIJQCISWKK-NSHDSACASA-N	229.044	-0.025	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1ncccn1	2247860337	VPIWLEYWHLXKOK-UHFFFAOYSA-N	235.052	-0.308	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)oc1C	2247868543	VMBFTQWBPIMZOS-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C(=O)C2(B(O)O)CCC2)C1	2247877881	FWYBPBBVXOALEV-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
Cc1conc1CNC(=O)C1(B(O)O)CCC1	2247878472	KKFLLBHJKXAQOB-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C1CC1	2247879231	RTSQSFVRAOYLHS-VIFPVBQESA-N	233.032	-0.899	50	10	BBGE	
O=C(NC1CC2(CNC2)C1)[C@H]1C[C@H](B(O)O)C1	2247900646	YPRMZWMQGTWXOZ-ZKCHVHJHSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](F)CNC(=O)Nc1cccc(B(O)O)c1	2247945984	CWYNANLEMLJLTN-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C1=COCCO1	2248415733	FYKANGDHMPRPMC-QMMMGPOBSA-N	239.036	-0.908	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)C(C)(C)C(=O)O	2248579905	XWBVEJVMUBZOQB-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
C=CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248585606	OKEYORWSKSTHIG-FXQIFTODSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)[C@@H]1C	2249417063	ADRGZFKJOBENLW-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NCCC#CB(O)O	2250009229	VVOYNZXBTLWSAF-XVKPBYJWSA-N	245.034	-0.201	50	10	BBGE	
NNC(=O)CCN1CCC2(CC[C@H](O)C2)CC1	2250537311	OJUMOBSMOJLUIA-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@@H]2C1	2255444782	PEGAELGYAYHKCH-RKDXNWHRSA-N	249.075	-0.250	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255459253	DGVHHJHOPKEAIK-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@@H]1CCO1	2255509341	JUFNORBNAWRKGE-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(C)cc(B(O)O)c1	2255510938	CBVMOIYBWZKEDR-GFCCVEGCSA-N	245.087	-0.184	50	10	BBGE	
O=C(NCc1ccoc1)c1ccc(B(O)O)cn1	2255519106	SWYQRFZDNLXSKQ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)c(F)c1	2255718949	CBTRMEFVJSUYML-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ccncc1B(O)O	2255728512	HFKYGDSKCSDUIV-MRVPVSSYSA-N	248.091	-0.368	50	10	BBGE	
C#CCN(OC)C(=O)Nc1cccc(B(O)O)c1	2258264622	RCBXFDBOEDAYJB-UHFFFAOYSA-N	248.047	-0.605	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@H]2C[C@@H]2CO1	2297104383	YTHULOXWZWECPM-KVQBGUIXSA-N	215.278	-0.724	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1CO	2298165989	KTQDOEKNYZWVNM-MMWGEVLESA-N	241.335	-0.437	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@]12CCOC2	2298369008	FSBITOYIUZJFFB-IQJOONFLSA-N	239.080	-0.369	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369591	ZEMKGCWYQHYOHV-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
COC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C	2298377157	GSIRGPLKPLRSPU-SGIHWFKDSA-N	241.096	-0.410	50	10	BBGE	
C[C@@]1(O)CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377546	VDUQOZGYSDSSDO-YSSBGUOXSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C(=O)O	2298463135	RPOXKIKTYSVKAU-BWBBJGPYSA-N	241.052	-0.925	50	10	BBGE	
C[C@H](CC(=O)NN)OCCCN1CCOCC1	2300923324	HYHSYARDXHOWOW-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCOC1	2301371213	CIKVLMSDVYCXLB-SNVBAGLBSA-N	233.032	-0.594	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)C1(B(O)O)CCC1	2307318445	RSRNISUWHMQGLQ-MRVPVSSYSA-N	240.112	-0.278	50	10	BBGE	
O=Cc1ccc(N2[C@H]3COC[C@H]2C3)cc1B(O)O	2317352307	XGZMYUBRYGACNI-GHMZBOCLSA-N	247.059	-0.844	50	10	BBGE	
O[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1Cl	33833507	OFZRLVSQPBQNQB-FJYMVOSHSA-N	220.652	-0.292	50	10	BBGE	biogenic,in-vitro
COCCCOCc1cc(C(=O)NN)no1	82463214	NBIRVOJEFQJQFS-UHFFFAOYSA-N	229.236	-0.169	50	10	BBGE	
CC1(C)CC(=O)N(CC(=O)NN)C(=O)C1	82471679	OWFYQNDVEXMNLO-UHFFFAOYSA-N	213.237	-0.849	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2cnnc2C1	93072330	VEBBJPVLXXBUOB-YUMQZZPRSA-N	238.295	-0.892	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214675	PHHATSFRLVCSQH-BWZBUEFSSA-N	213.281	-0.648	50	10	BBGE	
CC[C@@H](N)C(=O)NNc1nccc(OC)n1	129303372	FHRRHLSAZJFMMS-ZCFIWIBFSA-N	225.252	-0.334	50	10	BBGE	
CCOCCN(CCOCC)CC(=O)NN	131492486	MRRYVCCOPJFORZ-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
COCCONS(=O)(=O)CCl	133216793	JUJXFYCFTGGWRI-UHFFFAOYSA-N	203.647	-0.320	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C[C@@H](Cl)C#N	139547034	OCPZSUAPQVAFSH-LURJTMIESA-N	229.667	-0.146	50	10	BBGE	
CC(C)(C)SCC(=O)NNC(=O)CO	180953612	MATPECPJZHVGED-UHFFFAOYSA-N	220.294	-0.342	50	10	BBGE	
O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2)CN1	194761137	POSUJDDCGVVCAG-SECBINFHSA-N	247.254	-0.416	50	10	BBGE	
O=C1C[C@H](I)NC(=O)N1	198074117	QROIAUODFCRVFZ-UWTATZPHSA-N	240.000	-0.023	50	10	BBGE	
CCN1CCC(=O)N(CCCC(=O)NN)C1=O	216866301	UAGXTCMWITVPIU-UHFFFAOYSA-N	242.279	-0.569	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cn(C)cn1	234567223	XEYZQGSBQACGMR-ZCFIWIBFSA-N	245.666	-0.070	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H]2CCC[C@H]21	300021430	UTQNODCNXSOTHE-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
CC(C)[C@@H]1OC[C@H](O)/C1=N/NC(N)=O	306285381	UHZIUUZNHUYJNN-QPENNIKDSA-N	201.226	-0.574	50	10	BBGE	
O[C@H]([C@@H]1CO1)[C@H]1O[C@@H]1CBr	307384725	JWAUKJBDJBETJU-MOJAZDJTSA-N	209.039	-0.092	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C)(O)C1	307633853	RYIOFZQQHSNHEO-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
CCOC(=O)C1(C(=O)OCC)C[C@H]1B(O)O	309225504	SRHBUVTYTUCJTR-ZCFIWIBFSA-N	230.025	-0.654	50	10	BBGE	
CSC[C@H](C)NC(=O)NNC(N)=S	379375377	PGXKENGBUZUBKS-BYPYZUCNSA-N	222.339	-0.215	50	10	BBGE	
CSSCCNC(=O)NNC(N)=O	379375389	PHWHPDXSKPQMBD-UHFFFAOYSA-N	224.311	-0.120	50	10	BBGE	
CN(C)CC(=O)c1ccc(B(O)O)cc1F	380844303	VROXWMPBXYQZHZ-UHFFFAOYSA-N	225.028	-0.750	50	10	BBGE	
NNC(=O)c1ccc(F)c(CN2CC(O)C2)c1	384142308	NNRSHDVJBBEDTG-UHFFFAOYSA-N	239.250	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C[C@@H]1C	384991331	CKLYZFPTGUNEEP-XSPKLOCKSA-N	215.297	-0.544	50	10	BBGE	
CC(C)(CN1CCSC[C@@H]1CO)C(=O)NN	388200381	RYRYQARFIZWUEF-QMMMGPOBSA-N	247.364	-0.588	50	10	BBGE	
CO[C@@H]1CN(CCOCCCl)C[C@H]1O	395923991	FFXBSGFISKHODI-RKDXNWHRSA-N	223.700	-0.067	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[S@@](C)=O	405046730	AIKLOVYLKUPZFJ-OAHLLOKOSA-N	227.094	-0.908	50	10	BBGE	
O=C(CBr)N[C@H]1CCNC1=O	575522184	ZKHOFPMLNKRBNC-BYPYZUCNSA-N	221.054	-0.614	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@H]1C(=O)OC[C@H]1O	675078892	AZZJLAUNLGREAI-PHDIDXHHSA-N	235.667	-0.346	50	10	BBGE	
CC1(C)CN(CC(F)(F)C(=O)NN)C1	685957525	AAFGCSDAUUJRSZ-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(CCC(=O)NN)C1	687212449	IQDVJTHPGOKKAK-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)C[C@@H](C)O1	694926924	VFTVHSHEYPVTJV-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CN1CCO[C@@H](CCF)C1)C(=O)NN	700559105	CARDEXMEFIWVPW-IUCAKERBSA-N	233.287	-0.327	50	10	BBGE	
CC(=O)NCCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703443027	GRQKVUAGNAETRQ-IUCAKERBSA-N	240.259	-0.571	50	10	BBGE	
C=CC[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703475998	FVKQHELAFQFNSY-VGMNWLOBSA-N	225.244	-0.160	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOCC12CCC2	707233142	SDWMHRDQFMHCRD-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCC2(CCC2)O1	717086834	DPFHEQDKLIUXLB-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718167134	PCWFMRUWPUCANN-HWUMTFDVSA-N	239.319	-0.136	50	10	BBGE	
Cc1c(C=NNC(=O)c2cccnc2)no[n+]1[O-]	725408073	GBTXJSQFLIJBFW-UHFFFAOYSA-N	247.214	-0.225	50	10	BBGE	
C[n+]1n[nH]cc1[C@H]1N=C(C(=O)CCl)C=[S+]1	725552783	WSRYFAPYMBHIJM-QMMMGPOBSA-O	244.707	-0.620	50	10	BBGE	
CCCCNC(=O)NNC(=O)c1nc[nH]n1	746138451	COMJZVUULICBCN-UHFFFAOYSA-N	226.240	-0.451	50	10	BBGE	
O=C(NNC1=NCC(O)=C1)N1CCOCC1	747630177	JUFSQENEEGGFHS-UHFFFAOYSA-N	226.236	-0.613	50	10	BBGE	
CNC(=O)c1cccc(CCC(=O)NN)c1	825652127	OLWMNBJIAKMGCH-UHFFFAOYSA-N	221.260	-0.031	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNc1nnc(C)n1C	856048231	VRPFBMYWIAMOFL-JTQLQIEISA-N	239.279	-0.106	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1ccnnc1	1330863029	OOQDVKANMGZJOT-SSDOTTSWSA-N	233.231	-0.213	50	10	BBGE	
Cc1nn[nH]c1NC(=O)c1cccc(B(O)O)c1	1454194978	PVUVWBFZCFVGDI-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC(C)(C(N)=O)C(=O)NNc1ccc(C#N)cn1	1455575533	KOJQXIOVVQJGTP-UHFFFAOYSA-N	247.258	-0.092	50	10	BBGE	
CCCCC[C@@H](O)C(=O)NNC(=O)C(C)(C)O	1556228501	PMOZOUYGABRQJW-MRVPVSSYSA-N	246.307	-0.154	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H](C)CC(N)=O	1583869938	IMAUVIBNZUAPBV-ZCFIWIBFSA-N	230.268	-0.763	50	10	BBGE	
O=C(CO)NNc1ccc(Cl)nn1	1610925351	WDHWVRDFXOVXPV-UHFFFAOYSA-N	202.601	-0.435	50	10	BBGE	
Cn1ccc(NNC(=O)c2cccc[n+]2[O-])n1	1651001485	XQISVVFWSKYQOW-UHFFFAOYSA-N	233.231	-0.190	50	10	BBGE	
O=C[C@H](O)C(=O)NCCCBr	1866092595	WGQWYGMREAQYDB-YFKPBYRVSA-N	224.054	-0.553	50	10	BBGE	
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880030893	PVHBNCIGHOKNPL-RQJHMYQMSA-N	247.295	-0.096	50	10	BBGE	
NC[C@H](O)CNC(=O)[C@H]1C[C@@H]1Br	1881353757	MPHMASQJBVYSLS-ZLUOBGJFSA-N	237.097	-0.794	50	10	BBGE	
O=C(NC[C@H](O)CO)[C@H]1C[C@H]1Br	1881354085	SLUIBFJRBJYPPR-HCWXCVPCSA-N	238.081	-0.761	50	10	BBGE	
O=S(=O)(CC1CNC1)NCC(Cl)Cl	1883378483	WVGGHYUSOKOVHV-UHFFFAOYSA-N	247.147	-0.071	50	10	BBGE	
NOCCCNC(=O)C=CC(=O)Cl	1883626673	JXZVZGLPFHHOBQ-UHFFFAOYSA-N	206.629	-0.295	50	10	BBGE	
COC(=O)NS(=O)(=O)NCC#CCCl	1884825120	KUGWAIDTRXRTHQ-UHFFFAOYSA-N	240.668	-0.581	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]1CF	1886122584	NUCPTHIAKSLGPZ-BIIVOSGPSA-N	201.245	-0.344	50	10	BBGE	
COC[C@@H](C)COC[C@@H](C)C(=O)NN	1888728636	WSEAZQQDXPCOFA-HTQZYQBOSA-N	204.270	-0.089	50	10	BBGE	
C=C(CN(C)Cc1cnsn1)B(O)O	1895238866	JIDJTIPEOPTYKD-UHFFFAOYSA-N	213.071	-0.462	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2CC[C@H](O)C2)[nH]1	1895621499	PCRCYRXGELNKBV-RITPCOANSA-N	243.698	-0.230	50	10	BBGE	
CN(NC(=O)c1cc(N)cn1C)S(C)(=O)=O	1901339135	IXDHGPDNPJJIKF-UHFFFAOYSA-N	246.292	-0.857	50	10	BBGE	
CN(NC(=O)n1ccnc1)S(=O)(=O)C1CC1	1901359183	IUBQFFLRBIEJRR-UHFFFAOYSA-N	244.276	-0.220	50	10	BBGE	
C[C@@H](CO[C@@H]1CN2CCC1CC2)C(=O)NN	1901435833	KOWIMPWYRWLRRH-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
O=C1[C@@H](F)CCN1C(=O)C1(B(O)O)CCC1	1901659209	RWPNSKFWSDVUFQ-LURJTMIESA-N	229.016	-0.520	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	1902137312	FRACWQBKMIYUDQ-XHNCKOQMSA-N	229.085	-0.675	50	10	BBGE	
OCc1cc(CN2CC[C@H](B(O)O)C2)no1	1902505421	HUTKKQULOQNRBO-ZETCQYMHSA-N	226.041	-0.784	50	10	BBGE	
CC[C@](C)(CN(C)[C@H]1C[C@H](O)C1)C(=O)NN	1902715592	IOXHAFLTGSZABZ-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@](C)(CN1CC[C@](C)(O)C1)C(=O)NN	1902716574	UONZGIYMSOQQFE-MNOVXSKESA-N	229.324	-0.151	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCSC2)n1	1902745577	FDNDQTWAPLTBAW-UHFFFAOYSA-N	241.320	-0.470	50	10	BBGE	
C=CC[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1903159249	XCNFKFGJHDHYAZ-BQBZGAKWSA-N	229.041	-0.759	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]1[C@H](O)C2)C(=O)NN	1904371867	WUHFKMNYCASKSX-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCOC2=O)O1	1909809166	UDUAKBMQYYWVJC-YUMQZZPRSA-N	243.263	-0.634	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CCC1	1914998421	OZQQQBWSOJFFEQ-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926421852	SOLKCCDPCOESFY-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)CCOCC(=O)NN	1928180047	WXMXQQMKVDSWHO-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
O=S(=O)(CCCl)Nc1ncncn1	1930203852	GRACRIAWRIEDRE-UHFFFAOYSA-N	222.657	-0.148	50	10	BBGE	
N=c1nc(SCC2(C(=O)NN)CC2)[nH][nH]1	1931268464	HFNWLUHNCGHSHH-UHFFFAOYSA-N	228.281	-0.921	50	10	BBGE	
COC[C@@]1(O)CCN(C[C@H](O)CCl)C1	1931628156	QIKRYSQMYHIXCR-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
O=C(NCC=CCCl)C1CS(=O)(=O)C1	1933136502	WIJMZTLIOLLBKD-UHFFFAOYSA-N	237.708	-0.058	50	10	BBGE	
CC(C)CN(CCO)C[C@@H](C)C(=O)NN	1933486755	BNOKEOLQPHRUKK-SECBINFHSA-N	217.313	-0.437	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1CNC(=O)C(=O)NN	1935970399	PEOQQHZNGZKURM-HXFLIBJXSA-N	225.292	-0.225	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1CCOC[C@@H]1Cl	1937148012	YLDOZCUFCYCQAR-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)C1(Cn2cnc([N+](=O)[O-])c2)CC1	1938259252	MSLMCVKQKCHERW-UHFFFAOYSA-N	225.208	-0.439	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)C[C@@H]1CO	1938463134	BIZHRDLQWIVQCU-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCN(C2CC2)C1=O	1941087720	CTIRFNZYBYVJEG-CBAPKCEASA-N	238.291	-0.488	50	10	BBGE	
CC1(CO)CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941089339	JSFJRWNIFQIUAY-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC(CO)C1	1944079345	CAYDOHQJYZWXCQ-UHFFFAOYSA-N	235.287	-0.286	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cncn1C	1944728876	XPOKHCAVQGMUJT-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1944894020	KLDDYUNJAUJPLO-GXSJLCMTSA-N	244.339	-0.983	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@@]12COC[C@H]1C2	1945882992	RHIHFSGMSRAASS-SKDRFNHKSA-N	239.319	-0.275	50	10	BBGE	
C[C@H]1C(=O)NCCN1C[C@H](O)CCl	1954824195	URNXJVKEUVMAFI-NKWVEPMBSA-N	206.673	-0.594	50	10	BBGE	
CON(C)Cc1cnsc1C(=O)NN	1957059541	CQRKKJNWPBMUQV-UHFFFAOYSA-N	216.266	-0.260	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@@H]2CCC[C@@H]21	1960135071	PWRDVTFGVFIFMM-CIUDSAMLSA-N	213.281	-0.788	50	10	BBGE	
C[C@@]12CN(CCC(=O)NN)C[C@@]1(CO)C2	1960274021	RKQCXWOHVOZLDI-NXEZZACHSA-N	213.281	-0.929	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1N(C)CC(=O)NN	1961284655	HZBFPIPIUYWGSK-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
Cc1nccn1-c1ccncc1B(O)O	1961710757	VYYFUKFBOKEQTN-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CCCOC1CN([C@@H](COC)C(=O)NN)C1	1976049766	UBVLWPNGRKVHDX-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@@H]1C[C@@H]1C(=O)NN	1976934985	WPSNWKMABQOGPY-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](CO)N(C)C[C@H]1CC[C@H](C(=O)NN)C1	1985358362	YRQSJAHJTYLXGH-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCN1CC(N2CCSCC2)C1	1989133217	UURPZOUZYZCALJ-UHFFFAOYSA-N	244.364	-0.901	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]1CF	1989256161	CCEDQAPJMKQBEU-HTQZYQBOSA-N	225.028	-0.866	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@@H]1F	1990776042	FHLHOMQSFKGZBS-IUCAKERBSA-N	231.271	-0.024	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@]1(CO)CCCO1	1991650685	DZGWGDOZOCXDMQ-SNVBAGLBSA-N	247.678	-0.034	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1991685756	NBMVAVCMPXFYJB-NGJCXOISSA-N	249.650	-0.254	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(O)cc1	1992146493	ULANFNFFCCHDBY-UHFFFAOYSA-N	219.005	-0.863	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1[C@H]2CC[C@H]12	1997527913	FZPDRFDYTLRSEK-BQBZGAKWSA-N	232.048	-0.644	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC12CC(CO)C2	1997987883	QPOOABRUKSUZQD-SQLBVSGCSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCc2nnccc2C1	1998250735	XMPAGSUKWYETGX-QMMMGPOBSA-N	235.291	-0.397	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN(CCCC(=O)NN)C1	2001047375	VWXXHFZNUTVXON-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)N1CCC(=O)N(CCC(=O)NN)C1=O	2004303594	QWTSHAGAMKWRDF-UHFFFAOYSA-N	242.279	-0.571	50	10	BBGE	
CC[C@H]1COCCN1c1ccc(B(O)O)cn1	2004919321	XMFFMFDMOHYFPE-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N2C[C@H](F)C[C@@H](F)C2)nc1	2011404710	ALOUTNUYVPFNBL-HTQZYQBOSA-N	243.022	-0.957	50	10	BBGE	
COC[C@@H](OCCOCCC1CC1)C(=O)NN	2012314979	ITNOYZDJPVRVER-SNVBAGLBSA-N	246.307	-0.175	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1ccncc1B(O)O	2016811895	INXFUNRGYIJAHF-RKDXNWHRSA-N	238.071	-0.197	50	10	BBGE	
COC[C@H]1CC[C@H](C(=O)NCC#CB(O)O)C1	2021112917	DNQGMHWTHIYPJM-UWVGGRQHSA-N	239.080	-0.819	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2021157269	KAHUPBAMDZOKSW-LADJIXMOSA-N	233.076	-0.590	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCC[C@H]1OCC2	2021157471	MUENDRWGEHEHRA-MWLCHTKSSA-N	237.064	-0.923	50	10	BBGE	
Cn1cc([C@H](N)C(=O)N2CC=C(C#N)CC2)nn1	2047878533	UAZZLNCXTCFMFW-JTQLQIEISA-N	246.274	-0.503	50	10	BBGE	
Cc1nc(N2[C@H]3CCC[C@@H]2CC3)ncc1B(O)O	2052555658	HRHVRYKCJKYWNU-AOOOYVTPSA-N	247.107	-0.014	50	10	BBGE	
CCc1cc(C#N)c([N+](=O)[O-])cc1B(O)O	2060282938	WJCQLRCHZVHUGP-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC[C@H]2C[C@H]21	2079009407	RLLHUXBSANTOPW-JOYOIKCWSA-N	245.087	-0.009	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@]12C[C@H](CO1)C2	2084440041	RVWIFNNKXAVGJA-LYWQIFSTSA-N	247.059	-0.516	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12CC(CCO1)C2	2208731736	KCOCUUHXZOJCHO-YUCVTWSNSA-N	239.080	-0.369	50	10	BBGE	
NC(=O)NNC(=O)C1CC(C(F)F)C1	2210098826	ADPGQMIDACZPDM-UHFFFAOYSA-N	207.180	-0.023	50	10	BBGE	
C[C@@H]1[C@H](Nc2ncccc2B(O)O)C1(F)F	2212610314	GRUSVBZNOASLCG-VDTYLAMSSA-N	228.007	-0.173	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCCO2)nc1	2212612208	IFLLSGVXIXHJDN-VIFPVBQESA-N	222.053	-0.648	50	10	BBGE	
OB(O)c1ccnc(NCCn2cccn2)c1	2217171737	DNPISQMRRLCPFT-UHFFFAOYSA-N	232.052	-0.930	50	10	BBGE	
CC(C)[C@](C)(CN)Nc1ncccc1B(O)O	2217173711	TTWKTACDHXCZQP-NSHDSACASA-N	237.112	-0.453	50	10	BBGE	
CC1(Nc2cc(B(O)O)ccn2)CCNCC1	2217174972	BGKDCNHZLDOKTH-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
CO[C@H]1C=C[C@H](Nc2ncccc2B(O)O)C1	2217175917	PCVQXHAZIRLNSJ-IUCAKERBSA-N	234.064	-0.483	50	10	BBGE	
N#CCC1CN(c2nccc(B(O)O)c2F)C1	2217179552	MKKRLFFQHRZXDM-UHFFFAOYSA-N	235.027	-0.750	50	10	BBGE	
C[C@H](CCN(C)C)Nc1ccc(B(O)O)cn1	2217182611	BOSBSLGQQYHSSF-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
Cc1cnc(N2CC[C@@]2(C)CO)cc1B(O)O	2217182654	GACWSITZMGWKPT-NSHDSACASA-N	236.080	-0.969	50	10	BBGE	
CC[C@H](Nc1nccc(B(O)O)c1F)[C@H](C)O	2217183169	GMYRSOXORVMLSE-XPUUQOCRSA-N	242.059	-0.528	50	10	BBGE	
CCCOCCN=c1cc(B(O)O)c(C)c[nH]1	2217183221	JYVMQAUSVNLGAX-UHFFFAOYSA-N	238.096	-0.670	50	10	BBGE	
OB(O)c1ccnc(OCC[C@@H]2CCCN2)c1	2217191169	RGPAMCWPIARABO-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
CCNCCN(CC)c1cc(B(O)O)ccn1	2217198006	UZOSUTBOQVTOEZ-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@]23CC3(F)F)nc1	2217200895	VWWYLGMSWGZMET-HTRCEHHLSA-N	241.006	-0.634	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C(=O)[C@@H]1C	2220062368	KMCDUULDFQJJLP-VHSXEESVSA-N	247.103	-0.019	50	10	BBGE	
CC1(C)NCCC[C@H]1Nc1cc(B(O)O)ccn1	2223634410	KKBCFKWFQUHNEO-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
Cc1cnc(CNc2ncccc2B(O)O)cn1	2223636569	LGAPSFGKHTYBJP-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cnc(N2CCCN(C)CC2)cc1B(O)O	2223639667	GGUYWXLZACPSIO-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
Cc1cnc(NC[C@@H]2CN[C@@H](C)C2)cc1B(O)O	2223641383	TWKLJMDZQBBLDF-UWVGGRQHSA-N	249.123	-0.520	50	10	BBGE	
CC[C@H]1CCNC[C@H]1Nc1ncccc1B(O)O	2223641674	CMMQLRQGRCQKGE-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(N2CCN[C@H](C)[C@H]2C)cc1B(O)O	2223652281	HRAPVTRINIUZPV-NXEZZACHSA-N	249.123	-0.744	50	10	BBGE	
CONC(=O)c1sc(C)cc1B(O)O	2241475199	SNEHZDVPQAEJEA-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
CC1CC(NC(=O)c2ccsc2B(O)O)C1	2243358371	GBOWNFJGNRBCQY-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ncsc1B(O)O	2243359436	SVTUQPORXUKPSN-RITPCOANSA-N	240.093	-0.649	50	10	BBGE	
CCCCN(C)C(=O)c1ccc(B(O)O)o1	2243362467	RLKXZIKGEDWBST-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1sncc1B(O)O	2243385592	LGZYSXGMTJRCSB-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cs1)C1CC1	2243386222	WRPBUKOXSWBPRR-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)cc1C	2243404588	QOBQREASUHGALD-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
C#CCC(=O)NCc1sc(C)cc1B(O)O	2243686039	GOVKJDHXRGFWQM-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
CC(C)[C@@](C)(CC(=O)NCB(O)O)C(=O)O	2245265653	GHSVYXSEAYJAOQ-SECBINFHSA-N	231.057	-0.748	50	10	BBGE	
CC1(C)CC[C@@H]1COc1ncc(B(O)O)cn1	2247328892	TYYLGHBGSSPHCG-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2247741145	VKEHBXPWQSRYMX-RNLVFQAGSA-N	243.018	-0.591	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247746968	HECYZCPANWCQNT-VIFPVBQESA-N	234.064	-0.515	50	10	BBGE	
C[C@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247758385	VCFKEQVDVLEPSF-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ncncc1B(O)O	2247771044	JVNXSFYZMNJLNX-ZETCQYMHSA-N	237.068	-0.973	50	10	BBGE	
CC[C@H]1CNCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786442	ATOQRKYBZFUIRK-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CN(CCc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1B(O)O	2247797665	LVMSKMJGJGJOFF-RKDXNWHRSA-N	237.068	-0.727	50	10	BBGE	
CCOC(CNC(=O)[C@H]1C[C@H]1B(O)O)OCC	2247798032	PODAGRCHQFGIJB-JGVFFNPUSA-N	245.084	-0.635	50	10	BBGE	
CC(C)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247798121	QIJYZPIGNRTTRK-AEJSXWLSSA-N	241.096	-0.267	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@](F)(CO)C1	2247799450	DFNAGSPAPIWSIP-KTOWXAHTSA-N	245.059	-0.828	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247806511	FOHCYPBMCFBXNO-IUCAKERBSA-N	235.052	-0.702	50	10	BBGE	
O=C(N[C@@]12CCNC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247807426	IAMLPYKHEPCOPK-FTYOSLGDSA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1N	2247807750	JALGCCALPBWEQK-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247807801	JJBLFDQVFVVYAE-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CNC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247809293	OSONMCHHWVHELB-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CC(C)C[C@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2247846841	NBFZWFUMSDVELW-VIFPVBQESA-N	237.064	-0.577	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(C)(F)F)C(=O)C#CB(O)O	2247850047	JBMBPPBKYBWRAS-HTQZYQBOSA-N	245.034	-0.249	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877016	ANTUHCJCULZIHP-DTWKUNHWSA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(C(=O)C2(B(O)O)CC2)C1	2247880072	YCCBSGCVPWWTCD-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
Cc1nn(C)cc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247895125	OVLUNCJSULAUNN-RKDXNWHRSA-N	237.068	-0.792	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)ncn1	2247897288	QFKFOJUWEWNEPL-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(O)(C(F)F)C1	2247897487	SZGRFIOCIGSPEK-IZLXSQMJSA-N	249.022	-0.922	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@]12CCOC2	2247903349	JSJQHLQPKIRQAA-AMUVOQDHSA-N	239.080	-0.369	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2248402427	WVHKNWLGACXVFJ-VIFPVBQESA-N	231.060	-0.433	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C[C@@H](C)O	2248441767	HOVIFQDMIOWOAY-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248584867	CLVOVPCHSGDKCX-GJMOJQLCSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)[C@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2248589250	NRPANUBJIUDNMU-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2249305871	SEYIBSGRLJWAHQ-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
CC12CC(C1)N(C(=O)c1cocc1B(O)O)C2	2249407971	PEONFCQOBGSQJH-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1cocc1B(O)O	2249411310	QWJCCAJESOLEAH-NYNCVSEMSA-N	235.048	-0.512	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2253136818	DRUMIJPJQRQSHE-FKSUSPILSA-N	243.068	-0.535	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@H]2CCC[C@H]1CC2	2255461900	NXWXGNOZKNCCSD-UWVGGRQHSA-N	248.091	-0.148	50	10	BBGE	
CCc1ncncc1CN(C)C(=O)C#CB(O)O	2255461999	PGVWQUHQJFLRHW-UHFFFAOYSA-N	247.063	-0.987	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CCC1	2255472809	IGTVSLXCYKUTFL-VIFPVBQESA-N	247.059	-0.509	50	10	BBGE	
Cc1cccc(C(=O)NC2[C@@H]3CC[C@@H]23)c1B(O)O	2255510696	ZNEKESHZBXIIIQ-RKDXNWHRSA-N	245.087	-0.187	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2occc2B(O)O)C1	2255741266	CKHYNJNDPQNGHY-DTWKUNHWSA-N	247.059	-0.509	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)ccc1O	2256017253	QCNTWXQKXRQOJN-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
C#CCCC(=O)N1CCc2ccc(B(O)O)cc21	2256598552	QNQRSJDCMIVJHA-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CC=CC(=O)N1CCc2c(cccc2B(O)O)C1	2256639668	DVIVRKCZSIHQLB-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2260395599	UOSVSYMKGWNRJU-QWHCGFSZSA-N	249.119	-0.288	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H](O)[C@H](F)C1	2298165168	FTCRQBFPOPLSJP-SGIHWFKDSA-N	245.298	-0.593	50	10	BBGE	
CO[C@H]1CC(=O)N(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165954	IJZZQCKLHDGCRI-XHNCKOQMSA-N	241.291	-0.750	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368824	ZUCMQLIEDXYMHU-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376066	GNBPLYSTIQRFAR-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
Cn1ccn(CCC[C@H]2C[C@@H]2C(=O)NN)c1=O	2300383797	NGPNBSGNQDXBTH-IUCAKERBSA-N	238.291	-0.407	50	10	BBGE	
CN[C@@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301452358	GRGSKAKTBAFYDJ-QMMMGPOBSA-N	236.080	-0.801	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2COC[C@@H]2C1)C(=O)NN	2303423549	GWUOPSAOYSJUGO-JBLDHEPKSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@](C)(CN1CC2CC1(CO)C2)C(=O)NN	2303425720	FVXIVASFISTMEM-ZYXZCXLHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCc2nccn2CC1	2315508822	YDSVFWILFYOZPD-NXEZZACHSA-N	249.318	-0.633	50	10	BBGE	
C=C(C)CC(=O)NCCc1ccccc1B(O)O	2319246129	KTEJQOYLZSNBON-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
O=c1[nH]cc(CBr)c(=O)[nH]1	39121233	PTDZLXBJOJLWKG-UHFFFAOYSA-N	205.011	-0.042	50	10	BBGE	
C[C@@H](CN1CCC(CO)CC1)C(=O)NN	82465801	ORPHSKYGUPSZHD-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
CC(C)(CCl)C(=O)N(CC(N)=O)CC(N)=O	84700463	REJHHZSPGJRUND-UHFFFAOYSA-N	249.698	-0.949	50	10	BBGE	
CCCNC(=O)CN(C)CC(C)(C)C(=O)NN	93728010	HRNRZUFYCLGILG-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
CCCN(CC(=O)N(C)C)C[C@H](C)C(=O)NN	110597699	LNGSXECSOQYTMX-VIFPVBQESA-N	244.339	-0.587	50	10	BBGE	
[N-]=[N+]=NCC(=O)N1CCC(C(=O)NN)CC1	130629269	DUVLOEIGRAWRHD-UHFFFAOYSA-N	226.240	-0.475	50	10	BBGE	
NC(=O)CC1(NC(=O)C(Cl)Cl)COC1	170274396	LXJOPCRXCLUBKG-UHFFFAOYSA-N	241.074	-0.449	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](O)C1)C(=O)NN	216482570	CPNWTEQOVOVFOC-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CC[S@](=O)CCNS(=O)(=O)CCl	217452641	SGXXUVNYURKOJG-NSHDSACASA-N	233.742	-0.129	50	10	BBGE	
CO[C@H](C)COc1ccc(B(O)O)c(F)c1	228583085	ZNYJVJVUEDVPFK-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CC(C)[C@@H](NC(=O)NC(=O)[C@@H](C)Cl)C(N)=O	231058808	RTTZTYFVOXXOAC-PHDIDXHHSA-N	249.698	-0.051	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCCC[C@H]1O	252923245	JOVLPBBAEASTDW-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
O[C@@H]1[C@H](CBr)O[C@H]2CO[C@@H]21	306287601	ZTXUBLPOYITECL-AZGQCCRYSA-N	209.039	-0.092	50	10	BBGE	
COC(=O)[C@H]1CSSC[C@H](N)C(=O)N1	306504423	YVFXXGHNDLUSBM-CRCLSJGQSA-N	236.318	-0.634	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@](O)(CCl)[C@@H]1O	306545321	DPQRLGLZWCGBGE-SLPGGIOYSA-N	217.048	-0.727	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](CO)CC1	378841680	PLFKPAXJNURBHI-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
CCN(C[C@@H](C)OC)C[C@@H](C)C(=O)NN	383059371	HUMVVGBWPXKJHH-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)CC(=O)N(C)C	395617160	QWWKPSNOCFNENP-UHFFFAOYSA-N	244.339	-0.587	50	10	BBGE	
CCC(=O)c1ccc(CO)c(B(O)O)c1	396042048	QGRGTFYZQZVNBF-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
Nc1c(B(O)O)sc2cc(CO)ccc12	396243074	KVKAQZATUHNKGE-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1csc2cc(O)c(B(O)O)cc12	396335293	DHVIIRIMQAMPTQ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1cc2ccsc2c(B(O)O)c1O	396389427	VWTWSYUDSBJOOX-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSC[C@@H]1CCO	689850080	OKFMMDCMVMJFIR-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
Cn1nnc(C(=O)N2CC(CCl)C2)n1	697204423	QPZROUBUWVUYTD-UHFFFAOYSA-N	215.644	-0.479	50	10	BBGE	
Cn1nnc(C(=O)NC2(CCl)CC2)n1	697205033	YLZZWHHCHXCLEJ-UHFFFAOYSA-N	215.644	-0.289	50	10	BBGE	
Cc1cc(Cn2ccc(B(O)O)n2)ccn1	698156453	GKXLMJMLRIMGLN-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCCCC(=O)NN	705853185	DXYMNNZZIUOWPH-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
CCOC[C@@H]1CN([C@@H](CC)C(=O)NN)CCO1	705875401	HHOOZNRAICTKAB-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CN(C)CCn1cccn1)C(=O)NN	707436305	WUAFRHWADMCJEB-VIFPVBQESA-N	225.296	-0.559	50	10	BBGE	
C[C@H]1CN(C)CCN([C@H](C)C(=O)NN)C1	707565097	QTRKOYRGLQWXEM-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
CC(C)C1(O)CCN(CC(=O)NN)CC1	710239964	DAVNCEBHMOGVKK-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CF)C1	711447270	JIPZXPZWBCENGS-HTQZYQBOSA-N	219.260	-0.717	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C	723698245	WZIAOGQSMUDKLU-DBIOUOCHSA-N	240.351	-0.221	50	10	BBGE	
O=C(C1=NCN=C1)N1CCO[C@@H](CCl)C1	725690770	OCNCASBKUTUVJJ-ZETCQYMHSA-N	229.667	-0.065	50	10	BBGE	
CC(=O)NNC(=O)c1cc(O)nc(N(C)C)n1	765186385	SPIGNNLAIBAGED-UHFFFAOYSA-N	239.235	-0.971	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CCC2CC2)nn1	855188134	AAUIQZXKNKQOTQ-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
CCO[C@H]1COCC[C@@H]1CC(=O)NNC(C)=O	864426959	FDFAYKXWDQEKEF-ZJUUUORDSA-N	244.291	-0.015	50	10	BBGE	
O=C(CO)N1C[C@H]2[C@H](Br)[C@H]2C1	924443750	XUQFLEXXAFNOKU-KCQQBQQISA-N	220.066	-0.170	50	10	BBGE	
Cn1nnnc1CNNC(=O)OC(C)(C)C	1879980471	WQJAAFFJXXTLEK-UHFFFAOYSA-N	228.256	-0.261	50	10	BBGE	
O=C(O)CONC(=O)[C@H]1C[C@H]1Br	1881354072	SDPKVKXUCMIQID-IUYQGCFVSA-N	238.037	-0.098	50	10	BBGE	
CN(C)CCCCN(C)CC(=O)NN	1885006345	JBKYLBLFIZAYGF-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
CC=CCOCc1nc(B(O)O)cs1	1891823385	IVODJTZDXBFHDS-UHFFFAOYSA-N	213.067	-0.084	50	10	BBGE	
N[C@]1(C(=O)NC[C@@H]2C[C@@H]2Cl)C[C@H](O)C1	1893109122	XHVHNKLYPJSCHH-BMLSCUAFSA-N	218.684	-0.418	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@H]2C[C@H]2Cl)C1	1893119809	QWUFMWZRHLLNGF-HTRCEHHLSA-N	238.740	-0.153	50	10	BBGE	
O=C(Cl)C=CC(=O)NCc1nc[nH]n1	1893411567	ZDVXNCSYJGYPLI-UHFFFAOYSA-N	214.612	-0.258	50	10	BBGE	
CNCCCSC[C@@H]1CC[C@H](C(=O)NN)O1	1896956334	GOUFGJPLWBFJIR-DTWKUNHWSA-N	247.364	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12CCOC[C@@H]1C2	1896981875	XPWPCGFAHUPETQ-YWVKMMECSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C1(C)C)C(=O)NN	1900686218	KSWOYIFPCPIBEY-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
CN(NC(=O)C[C@H]1CCN1)S(=O)(=O)C1CC1	1901348116	CHMMDKCEUYDMQN-SSDOTTSWSA-N	247.320	-0.806	50	10	BBGE	
CCCN(CCC)NC(=O)C(=O)NCCN	1901991982	DXVCBWXULBZEQK-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	1902092796	UDLRBEALFPFERK-VHSXEESVSA-N	231.340	-0.050	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2COCCO2)C1	1902549648	DENGRTHTKOHVOZ-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
CC[C@](C)(CN1C(=O)COC1=O)C(=O)NN	1902731626	IGZCOPYSRUDYDK-SECBINFHSA-N	229.236	-0.629	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	1907072472	KTWGBUODQJKGST-KHQFGBGNSA-N	233.080	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC(CO)C2)C1	1908830558	MHBCWCGAXXZMSO-VHSXEESVSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1C[C@H]1C(=O)NN	1916510240	DULKPMWSHNHHTK-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
COc1ccc(CN2CC(F)C2)cc1B(O)O	1917263114	XHCPBVWCQVFEDE-UHFFFAOYSA-N	239.055	-0.471	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1CN=CN1	1923932116	GIQUWGNWRHZUNG-SCSAIBSYSA-N	210.064	-0.094	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1CN(C)C1	1928161055	ODFCGJXHOKVOIY-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)C)OC	1928666038	SSZIKWMHURLRJH-QMMMGPOBSA-N	219.285	-0.489	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C[C@H]1C	1929939080	LVEKBZRWLZMNSA-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(CCl)Nc1ncncn1	1930202883	BNFACAULNFFHJF-UHFFFAOYSA-N	208.630	-0.190	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1ccc(B(O)O)n1	1930304049	YMTGBKWINBJBGW-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1931413874	UWXUNXXQVGXNFG-XGEHTFHBSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@H]2CC[C@H]1C2	1932264029	LDWDMMSGHPLIMY-CSMHCCOUSA-N	211.265	-0.329	50	10	BBGE	
NNC(=O)CN1CCC(O)(C2CCC2)CC1	1935555360	ZWIYZCUBLKQYTE-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
COC[C@H](C)CN(C)CC(F)(F)C(=O)NN	1935931683	MPWIPXUQWUESSB-SSDOTTSWSA-N	239.266	-0.174	50	10	BBGE	
O=C(Cn1ccnn1)N1CCOC[C@H](Cl)C1	1937146242	MVUVPEGGDHIEGT-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C(=O)O1	1938248506	HGOLQFMGPHAPOG-UHFFFAOYSA-N	227.264	-0.013	50	10	BBGE	
CN(C)C(=O)C1CCN(CCC(=O)NN)CC1	1940303511	NBWMFBBVYRGNTJ-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
CCCCN(CC(N)=O)C[C@H]1C[C@H]1C(=O)NN	1941084888	AHDSMDQSFLJXDX-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)[C@H]1C(=O)N(C)C	1942611830	AMZGNNONWMMSEA-PSASIEDQSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@H]2CCOC[C@H]21)C(=O)NN	1945075687	TZPKOACCQHNLSI-GWOFURMSSA-N	241.335	-0.173	50	10	BBGE	
C[C@@]1(CO)CCCN(CC2(C(=O)NN)CC2)C1	1945883155	UVQFRIFNAZTLQM-LLVKDONJSA-N	241.335	-0.149	50	10	BBGE	
CCOC(=O)c1nn(C)cc1[C@@H](N)[C@H](O)C#N	1953043606	YGWHSYNUUKXDKF-HTQZYQBOSA-N	238.247	-0.519	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1955062068	DVNNATDGPICLCS-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNC(C)(C)CO1	1955488830	VYXNDOIJPBDKMW-ZETCQYMHSA-N	201.270	-0.654	50	10	BBGE	
NNC(=O)NCc1ccc(C(N)=O)cc1	1958701085	CILHGWHZAOWVTI-UHFFFAOYSA-N	208.221	-0.542	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961927292	UBZKPKFSVCHIIT-OKNNCHMLSA-N	233.695	-0.044	50	10	BBGE	
O=C(c1cncc(O)c1)N1CC[C@@H](B(O)O)C1	1972415400	VFLXIXRBMSPXEX-MRVPVSSYSA-N	236.036	-0.524	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)CCl)C2	1972434633	MYUGGTXLLRJZPD-UHFFFAOYSA-N	217.656	-0.539	50	10	BBGE	
C[C@H](C(F)F)N(C)CCOCC(=O)NN	1975171981	WABICQDPDNVACG-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@@H]1NC(=O)C(=O)NN	1977515101	OJKDTZZDLFKPAU-BIIVOSGPSA-N	229.280	-0.704	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[S@@](=O)C[C@H]1C	1981192694	UFOKPRUIVKQSOS-ABFUHYCJSA-N	247.364	-0.402	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)CCS1	1981415343	CWEUATFEYLDTKY-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1C[C@H]2C[C@H]2C1	1981468459	BZIMWXIAVBECLY-KNVOCYPGSA-N	238.483	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1981995021	CIABJXORDJUJJH-YLZYEPSMSA-N	221.304	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568885	YGYOQGQAVUJDPW-SRQGCSHVSA-N	227.308	-0.544	50	10	BBGE	
CN(C)C1CC(OCC2(C(=O)NN)CC2)C1	1986221078	JFDBHIJIAOQRQL-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1	1986840848	NASWMPLSPLMEKX-FXQIFTODSA-N	246.694	-0.270	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]3CC[C@@H]3C2)c1	1988175674	PGLDIKBRENVZIH-ILWJIGKKSA-N	220.081	-0.001	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1(CCO)CC1	1988601144	HWNHOFGRFRRDGQ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C=CCOCCN(C)CC(=O)NNC(C)=O	1990771769	BOIYWLAGCCDWLE-UHFFFAOYSA-N	229.280	-0.712	50	10	BBGE	
Cn1nnc(CN)c1C(=O)NC[C@H]1C[C@@H]1Cl	1991436566	ADNZRTWISDNBSS-RITPCOANSA-N	243.698	-0.369	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C[C@H]3C[C@H]3Cl)C2)N1	1991438481	MILRRSPNUVQRFR-NJUXHZRNSA-N	243.694	-0.247	50	10	BBGE	
O=C1N[C@]2(CCNC2)C(=O)N1C[C@H]1C[C@H]1Cl	1991439017	PKDCUMHSMBEXOM-XSSZXYGBSA-N	243.694	-0.102	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](O)C1(C)C	1991461245	PSZQJPPVCIDSPA-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@@]1(CO)CO2	1991662021	HJKYHTHVWQOZAG-GMSGAONNSA-N	245.662	-0.330	50	10	BBGE	
C=C(Cn1cnc(C2CC2)cc1=O)B(O)O	1992160506	XGNLJHQEXGLGID-UHFFFAOYSA-N	220.037	-0.311	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)C12CCC2	1993529625	XJFAGXAIOBVVJG-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477384	IPENPTRGKSKCJZ-GZBOUJLJSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002479298	ZLMHXQOQSOLMMX-WEHBEXOLSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC12CCN(C)CC2	2003955715	BUIFEKCNLLTHCE-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
Cc1cc(N(C)CCN(C)C)ncc1B(O)O	2004919380	YGXSXVRZFAKRHC-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
Cc1ccnc(OC[C@@H]2CCOC2)c1B(O)O	2004933895	AWSUNKTUVMCDTH-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
OB(O)c1cccnc1N1CC2CC1(CF)C2	2004936364	YJHORLAOFRYTTA-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N(C)C2CC2)C1	2005181139	ZTWSYKAYEMTBEV-LLVKDONJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)ccc2=O)C1	2008841361	ZIPKQINDYXNWFS-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
C[C@H](O)C1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010835103	KRKGXPAQAOWSHF-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012017953	WDWPWNPQZAGGGM-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]2[C@H]1CCN2C	2012127513	MAFQFDVFWRYGJG-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
O=C1C[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1	2013431677	UXWWKNFDYKUUKD-CSMHCCOUSA-N	238.243	-0.819	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](C2(O)CC2)C1	2013927022	AAHDSAADMLRSCN-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C)CCn1nc(C)c(B(O)O)c1C	2014204346	OGLWQRMNRGMOQH-MRVPVSSYSA-N	240.112	-0.148	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	2014232051	AKNJMBCMDXWAEV-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)NC(=O)C12CC2	2014890558	YNFNJILFLZLZCV-JGVFFNPUSA-N	240.307	-0.892	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]2COC[C@H]21	2017525154	NWJSJLLHWAXJRG-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]2COC[C@@H]21	2019213857	XANOBVXBXNAZLY-UWVGGRQHSA-N	241.291	-0.736	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccccc1B(O)O	2022196151	HZQOAIPKJUZYMX-VIFPVBQESA-N	231.060	-0.492	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@@H]1C1CC1	2022578792	IORHIXFMARWQBX-RKDXNWHRSA-N	234.064	-0.419	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(OCCCO)C1	2026045323	QEVQDBLYCBDGRA-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CCC(=O)NN)n1cnc2c(N)ncnc21	2026858808	FODKUKTUJQBKGP-ZCFIWIBFSA-N	249.278	-0.260	50	10	BBGE	
CCN(C)[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2052468523	DTFGNNRNQHQIEW-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(N2C[C@@H]3COC[C@H]3C2)ncc1B(O)O	2052620877	ZDEQXBDBVUGOTF-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1[C@@H]2CCCC[C@@H]12	2058156253	RWHDQTJFUGEPIK-NXEZZACHSA-N	247.103	-0.036	50	10	BBGE	
C=CC1(O)CN(Cc2ccc(C(=O)NN)cn2)C1	2074504467	MBXYLKVDDUWVCF-UHFFFAOYSA-N	248.286	-0.582	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]2COC[C@@H]21	2077841933	GDNVSMRQRJDEDX-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
C=C(Cl)CN=c1ccc(B(O)O)c[nH]1	2210060030	GHIHUIPYJZGJHQ-UHFFFAOYSA-N	212.445	-0.652	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CC1(C(=O)NN)CCCC1	2212447678	DQWZKJVWUDATKK-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C#C[C@@H](Nc1ncccc1B(O)O)C(C)C	2212603727	QPYKYLPIINZSGN-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCOC2)c1	2212606508	VHLOWTIBIWRFNA-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
Cc1cnc(OCC[C@@H](C)N)cc1B(O)O	2212606559	WAFIRMKUKRTHMW-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
C[C@@H](COc1ccc(B(O)O)cc1)CN(C)C	2212985897	FSEBHGGNVWTDFU-SNVBAGLBSA-N	237.108	-0.057	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)CCC12CC2	2214779915	HFZKLJRAWNMAKY-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1COCCn1cncn1	2215777422	SMOLLTZLGKCSDB-BDAKNGLRSA-N	239.279	-0.689	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCO[C@@]2(C#N)C1	2216067468	FJBFGLLCPVGIFW-YWVKMMECSA-N	238.291	-0.631	50	10	BBGE	
C=CCC[C@H](C)N(C)c1ncc(B(O)O)cn1	2217173761	UMOORUFDLWZZGT-VIFPVBQESA-N	235.096	-0.053	50	10	BBGE	
C[C@H]1CNC[C@H](Oc2ncccc2B(O)O)C1	2217180851	LGTMRYLCMBWAMK-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
COC[C@@H]1C=CCN1c1ccc(B(O)O)cn1	2217181134	NHGFWGFEOXIQRI-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
CC(C)(CCO)CNc1ccc(B(O)O)cn1	2217185344	VSIMRLSOSNBEEO-UHFFFAOYSA-N	238.096	-0.418	50	10	BBGE	
CC(C)(C)[C@H](N)COc1cc(B(O)O)ccn1	2217194828	DAFTYVVAXSMFRQ-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
N[C@H]1CC[C@H](Oc2nccc(B(O)O)c2F)C1	2217195399	JVDHKDLBMXNLNR-BQBZGAKWSA-N	240.043	-0.841	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3CC[C@H](C2)O3)nc1	2223633966	DGZAIRDVWCFILG-ILWJIGKKSA-N	249.079	-0.722	50	10	BBGE	
Cc1cnc(N2CCNCC23CC3)cc1B(O)O	2223646792	PGMBPXCDMIRLLR-UHFFFAOYSA-N	247.107	-0.988	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CNCC12CCC2	2223676259	YWWATCHELLHWKK-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)N1C	2223678930	JQTKAUIXFIEXKW-ONGXEEELSA-N	249.123	-0.344	50	10	BBGE	
O=C(F)NC[C@H]1COCC2(CNC2)O1	2241243106	PHKQBUWKRYZVSB-LURJTMIESA-N	204.201	-0.577	50	10	BBGE	
O=C(NCC=CCl)C1(B(O)O)CC1	2242570323	STUQCBWNCJUNSI-UHFFFAOYSA-N	203.434	-0.138	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1nncs1	2243285391	QTAYAUUZAPCOOE-RNFRBKRXSA-N	243.336	-0.016	50	10	BBGE	
O=C(NCc1cc[nH]n1)C1(B(O)O)CCC1	2243346740	BSMYOFXYLKYPPC-UHFFFAOYSA-N	223.041	-0.577	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1cscc1B(O)O	2243348074	SQBSVALCWRTBDV-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
O=C(Nc1csnn1)c1ccc(B(O)O)o1	2243356988	PPWLNLLUNXCFNF-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2243357250	UAPCZBKMDIUTNX-PBINXNQUSA-N	221.065	-0.209	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccsc1B(O)O	2243359993	ZKZGWVPIUAWHPO-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CCCCO1	2243361946	JOYGLUOZXIQEAL-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
CCCONC(=O)c1cc(C)c(B(O)O)s1	2243366933	KWCBIXYKVUIDIM-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H]2C[C@H]2C)s1	2243380966	BDNQOEBUTSWZKC-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
O=C(NCCCCF)c1cc(B(O)O)cs1	2243386352	YQOHPZHYWBIIQM-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCO)CC1CC1	2243396437	MCWRXXIUJBYSBJ-DTWKUNHWSA-N	227.069	-0.920	50	10	BBGE	
CCC1(N)CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243403760	CCWSWKNRUBZXJN-DOPNHTQNSA-N	226.085	-0.765	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CC1CCC1)B(O)O	2243411943	CURCCGPVCFGWCJ-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1O[C@H]2CC[C@H]1C2	2243414390	ZUXYTIGDYMEWFN-PEBLOWIWSA-N	225.053	-0.066	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1ccc(B(O)O)s1	2243668618	PVESTDYXALRICR-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247742038	JRKZLXVLMQZSGA-MRVPVSSYSA-N	234.064	-0.916	50	10	BBGE	
CCNC(=O)C(C)(C)NC(=O)C1(B(O)O)CC1	2247753772	CKVBAYVIDHPQHK-UHFFFAOYSA-N	242.084	-0.976	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H](F)[C@H](F)C1	2247755491	KAJVEBCINFIILJ-RNFRBKRXSA-N	244.990	-0.909	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247755896	LNKQDJSVIXJABZ-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
O=C(N1CCO[C@H]2CCC[C@H]21)C1(B(O)O)CC1	2247756578	NXPTYGVKZWXJCH-BDAKNGLRSA-N	239.080	-0.227	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787521	QEZWADFDFSVDMD-JXUBOQSCSA-N	241.096	-0.341	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CCO[C@H]2C1	2247789796	BNCJSYMORBNSGV-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
Cc1ccnc(C(=O)N(C)C2CC2)c1B(O)O	2247790509	DTBYSLLTOVUBLE-UHFFFAOYSA-N	234.064	-0.696	50	10	BBGE	
CC1(C)COCCN1C(=O)C1CC(B(O)O)C1	2247798563	VMUIQEOKAGEDMD-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@H]1O	2247798584	VPTUSJCGIWTTEL-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
CNC[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247801226	YMUPYEICXSYZQE-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCC1CCOCC1)[C@H]1C[C@@H]1B(O)O	2247803482	BKBSNAYYXWYVSX-UWVGGRQHSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2C[C@]2(O)C1	2247807410	RAQMYCJKGQCQFZ-KBIXCLLPSA-N	239.080	-0.777	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](CCO)C1CCCC1	2247850294	MODOGDRJOLIMRB-SNVBAGLBSA-N	239.080	-0.941	50	10	BBGE	
CC1(C)C[C@H](CCNC(=O)C#CB(O)O)CO1	2247850674	RLNSQERSEBHWJX-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)c(C)cc1O	2247850956	UZNUUCFXMYPEMS-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
CC1(NC(=O)c2n[nH]cc2B(O)O)CCCC1	2247854641	GMEQTZCQQUQRFR-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)C1)[C@H]1C[C@@H](B(O)O)C1	2247858093	ARBMBNJQEHLQBR-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cccc(F)c1B(O)O	2247870924	SJYSKRUMIUUBGB-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
Cc1cccc(C(=O)N2CC=CC2)c1B(O)O	2247873355	ASOPECMKQLWEHP-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
Cc1cc(C(=O)NCCCCF)oc1B(O)O	2247891885	PRKRMWMWNWUICV-UHFFFAOYSA-N	243.043	-0.253	50	10	BBGE	
O=C(NCCCOCC1CC1)[C@H]1C[C@@H]1B(O)O	2247895627	UQLMBJLOYZEACK-UWVGGRQHSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898339	CMQIJUFJBSLJHM-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](CO)C2(CC2)C1	2247898487	DYXWECAFIYODNX-IWSPIJDZSA-N	239.080	-0.920	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247908917	BUXYXSJXWWNDIM-HORUIINNSA-N	239.080	-0.301	50	10	BBGE	
C[C@H](CCN)CCNC(=O)C1(B(O)O)CCC1	2248445998	UUQTWFHSESBIER-SECBINFHSA-N	242.128	-0.125	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2248575032	XWXCTYYYBVDDFB-DKXJUACHSA-N	241.052	-0.924	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2248585424	LFDFUUKSNULSJR-RQJHMYQMSA-N	241.052	-0.780	50	10	BBGE	
CC1(CC(=O)O)CN(C(=O)C2(B(O)O)CC2)C1	2248587247	NMIOJNYPMKNYDT-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1ncc(B(O)O)cn1	2248693934	QAVQSRUUZHFGSC-APPZFPTMSA-N	233.080	-0.609	50	10	BBGE	
Cn1ccnc1CCN1CCC(B(O)O)CC1	2249360030	ZSNQFVFYWCPMDP-UHFFFAOYSA-N	237.112	-0.099	50	10	BBGE	
CCC(CC)ONC(=O)c1cocc1B(O)O	2250169323	GLNKLGQZMRMOKZ-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccc(B(O)O)cn1	2252740098	NCTQMZDOOPRLDW-UHFFFAOYSA-N	238.052	-0.609	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2CCO2)cc1B(O)O	2253193031	ZACIXJSCTPXFCQ-VIFPVBQESA-N	236.080	-0.917	50	10	BBGE	
C[C@H]1CCN1C(=O)NCc1ccccc1B(O)O	2254026051	VZGVWUYDVXJLDQ-VIFPVBQESA-N	248.091	-0.330	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1coc(B(O)O)c1	2255443675	CKGHVXSBQXSUCJ-SFVIPPHHSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)[C@@H]1CC1(C)C	2255519562	YTTWJIYTNWHMRG-SECBINFHSA-N	248.091	-0.368	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ncc(C)cc1B(O)O	2255559750	YCSBUBHROYOJGR-SECBINFHSA-N	246.075	-0.836	50	10	BBGE	
Cn1ccc(C2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C2)n1	2255765243	NGPBWQNPGMWHRC-BDAKNGLRSA-N	249.079	-0.791	50	10	BBGE	
O=C(N[C@@H]1CCn2ccnc2C1)[C@@H]1C[C@H]1B(O)O	2255773395	MCSUWWIGBQLCBI-IWSPIJDZSA-N	249.079	-0.823	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]1CC1CC1	2258126472	FMXRYUJSABIEON-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
Cc1nnccc1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2261227403	ZYNKAPRVSJLCFP-QWRGUYRKSA-N	249.318	-0.157	50	10	BBGE	
CC#CC(=O)NCc1ccc(OC)c(B(O)O)c1	2264099003	DJTFEKKRTXJUHL-UHFFFAOYSA-N	247.059	-0.986	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165041	ZSJJLCRRYFKTBV-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298370476	ZOTWLOGQNBTXLA-GRDBIXFFSA-N	239.080	-0.467	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CO	2298376155	KTLQIVFNIINUQW-AXTSPUMRSA-N	241.096	-0.674	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298377557	VUQVSKJLIMZQAK-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](O)CN(C)c1ccc(B(O)O)cc1C#N	2301338959	OHDNCZYZCOUEKA-MRVPVSSYSA-N	234.064	-0.945	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)[C@@H](C)O	2301347216	YQYVTYQDBIKLKQ-JGVFFNPUSA-N	234.064	-0.581	50	10	BBGE	
COC[C@@H]1CN(CC(B(O)O)=C(C)C)CCO1	2301952597	JSFLKXANYMRSRY-JTQLQIEISA-N	243.112	-0.318	50	10	BBGE	
COC(=O)NC1CN([C@H](C(=O)NN)C(C)C)C1	2306924396	ILWGEMJCAYVLBO-QMMMGPOBSA-N	244.295	-0.959	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCNC1	2317151036	MIPLYIICWULIGW-SECBINFHSA-N	245.091	-0.741	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317152662	DTJZLMUHTOEZDM-KCJUWKMLSA-N	248.091	-0.257	50	10	BBGE	
C[C@@H]1CNC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317206626	AHDIZZZGKDFNEU-PELKAZGASA-N	246.075	-0.775	50	10	BBGE	
O=Cc1ccc(O[C@@H]2CCCNC2)cc1B(O)O	2317350029	MMDQSKJYWWBRCD-LLVKDONJSA-N	249.075	-0.690	50	10	BBGE	
COCCN(C(=O)C(=O)NN)[C@@H](C)C1CC1	42690481	FKDMWZOZPKORGX-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)CCC(=O)NCCCN1CCCC1	58839117	VCQACPAJXALFIM-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H](C)CCC[C@@H]1CN	70156476	VSQMKAWIQWJTPK-WCBMZHEXSA-N	242.323	-0.645	50	10	BBGE	
CSCCn1cc(C(=O)NN)nn1	82472812	BJYBZQAPUNUOHE-UHFFFAOYSA-N	201.255	-0.755	50	10	BBGE	
O=C1CCN(C(=O)CBr)CCN1	82511174	LXEQIUICVXWKRY-UHFFFAOYSA-N	235.081	-0.270	50	10	BBGE	
COc1cccc(C(=O)NNC(N)=S)c1O	83590729	WQPAGGFWOWMHKM-UHFFFAOYSA-N	241.272	-0.121	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC1CC(O)C1	86313736	WNKRHRBKEYWQHW-XHHQTKHESA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC[C@@H]2CCOC2)O1	110566899	ZKBJCHPAMBYCKP-BBBLOLIVSA-N	244.291	-0.423	50	10	BBGE	
C[C@H]1CC[C@@H](C(N)=O)CN1[C@@H](C)CC(=O)NN	110586592	RTYLOTNNWORLLS-XHNCKOQMSA-N	242.323	-0.659	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1ccccn1	118049917	BETASXYIQWSQHP-SECBINFHSA-N	208.265	-0.456	50	10	BBGE	
CS[C@H](C)CC(=O)NNC(=O)c1c[nH]nn1	119033678	MVNCVUNOTRXXIH-RXMQYKEDSA-N	243.292	-0.293	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)NCc1ccco1	141040844	ZERWXVDCDHTWEF-LURJTMIESA-N	226.236	-0.543	50	10	BBGE	
CC(=O)N[C@H]1CCN(S(=O)(=O)CCl)C1	160326854	WJTYVVYPPLRCBT-ZETCQYMHSA-N	240.712	-0.277	50	10	BBGE	
CN(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	167566032	RJIGZCFPCYGNMP-PHDIDXHHSA-N	240.712	-0.338	50	10	BBGE	
CC(C)N1C[C@@H](C(=O)NN(C)C(N)=O)CC1=O	179694699	QUCVZBGUBPEHTA-ZETCQYMHSA-N	242.279	-0.715	50	10	BBGE	
CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NN)C1	235109016	DLLYIMFBXBWXEF-RNFRBKRXSA-N	231.321	-0.233	50	10	BBGE	
CNc1cc(C(F)(F)F)c(B(O)O)cn1	238326055	DKTWPSKZLACRJW-UHFFFAOYSA-N	219.959	-0.178	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@H]1CO	251163543	CLNOTBXHDLGHRS-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253194647	PNNBWNWPBOETQI-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CN(N)C(=O)C[C@@H](N)c1ccc2[nH]c(=O)[nH]c2c1	259103588	QHRDGOKWSNGXET-SSDOTTSWSA-N	249.274	-0.422	50	10	BBGE	
O=C(NNCC1CCC1)[C@H]1COCCN1	309656390	VZNZVNZIBJVZNF-SECBINFHSA-N	213.281	-0.604	50	10	BBGE	
CNCC(=O)NNC(=O)Cc1ccsc1	381488821	LNKZMAAKSNDXKR-UHFFFAOYSA-N	227.289	-0.343	50	10	BBGE	
NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N	382701639	OUDWUDOQUXRYGT-UHFFFAOYSA-N	214.156	-0.080	50	10	BBGE	
CCc1ccc(B(O)O)cc1C(=O)OC	393749306	SSDTTYIEFOQOCI-UHFFFAOYSA-N	208.022	-0.285	50	10	BBGE	
Cn1ncc(C=NNC(=O)NC2CC2)c1N	393923161	WUYOCBOAUVELLG-UHFFFAOYSA-N	222.252	-0.202	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ccncn1	396661158	XWYKITFGSKGROC-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
NNC(=O)CCN1CCC(F)(F)[C@@H](CO)C1	403204445	CGKTZVAJPSAIDL-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2CCOC2)ccc1B(O)O	405013273	ZHVVMJTXDPKXCX-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
NNC(=O)[C@H]1OCC[C@H]1Cn1cccc1	675058381	CLZBELSYCKYGBK-IUCAKERBSA-N	209.249	-0.117	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2COC[C@@H]2C1	690724377	RWIKJWDRXQJADU-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N1CCC(OC2CCC2)CC1	691852710	SSMGRWDMEJFKQM-UHFFFAOYSA-N	241.291	-0.464	50	10	BBGE	
NC(=O)CN1CCCN(C(=O)OCCl)CC1	692897462	WORSYILCFIRYLJ-UHFFFAOYSA-N	249.698	-0.188	50	10	BBGE	
CO[C@H]1CCCC[C@H]1n1cc(B(O)O)cn1	694534694	FRUNTLZIXVGGIY-ZJUUUORDSA-N	224.069	-0.307	50	10	BBGE	
CN(C)C[C@@H](Cl)CN(C)Cc1nnnn1C	697757574	ZAHHUMNVPRRSQE-MRVPVSSYSA-N	246.746	-0.189	50	10	BBGE	
C[C@H]1CCN1Cc1cccc(B(O)O)c1	706783221	PTULCQWXFWQAPQ-VIFPVBQESA-N	205.066	-0.039	50	10	BBGE	
C[S@@](=O)N1CCc2ccc(B(O)O)cc21	712993622	FSKONIMSIOJVCB-OAHLLOKOSA-N	225.078	-0.978	50	10	BBGE	
CS(=O)(=O)C1CC2(CC(=O)OC2=O)C1	716103200	SUPZTYCOAMBICP-UHFFFAOYSA-N	218.230	-0.347	50	10	BBGE	
Cn1c(O)nc2cc(B(O)O)cc(F)c21	716784359	NOGZBVHYXWQDED-UHFFFAOYSA-N	209.973	-0.902	50	10	BBGE	
CC(C)(C)[S@@](=O)NC1(B(O)O)CCC1	719409948	OSTPLIXVHFUZBR-CQSZACIVSA-N	219.115	-0.027	50	10	BBGE	
C[N+]1=C(CN[S@+]([O])(=O)CCl)N=CC1	725594548	YEPFHYQBTKNZFP-ZDUSSCGKSA-N	224.693	-0.343	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)no1	729455804	AXQQQGJCBITEPP-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CCCONC(=O)NNC(=O)[C@H]1COCCO1	828282858	JHFZTVCSHJSQIG-SSDOTTSWSA-N	247.251	-0.926	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C(F)F)O1	862884889	HJWOKNARJJUXOA-RFZPGFLSSA-N	222.191	-0.034	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)CS(C)(=O)=O	863187230	CYTBQJLNIDGMKK-ZETCQYMHSA-N	236.293	-0.585	50	10	BBGE	
CN1CCOC[C@@H]1CNC=C(C#N)C#N	864348773	FPPXFCJXXFTVPI-JTQLQIEISA-N	206.249	-0.162	50	10	BBGE	
CCC/C=C/[C@@H](O)C(=O)NNC(C)=O	899927875	VAAYASYKIASYSM-HQZHTGGTSA-N	200.238	-0.129	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NCCC	900394927	RLOUCRWILOTEBZ-YSCPKTQFSA-N	215.253	-0.336	50	10	BBGE	
CO[C@@H](C(=O)NN(C)C(N)=O)[C@@H]1CCOC1	1118753163	UIFPBOUSVTWLNV-RNFRBKRXSA-N	231.252	-0.920	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1nsnc1O	1306852828	GXYXEXBOIBQIJE-UHFFFAOYSA-N	227.209	-0.881	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CCNC(=O)CC1	1327938047	DKNHZULPQBBNBL-ZETCQYMHSA-N	243.263	-0.320	50	10	BBGE	
Cc1nccc(C(=O)NNc2nnc(C)n2C)n1	1329530689	OTJWLMFRRWBZGN-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(C=O)n1C	1442465833	CEEHORHUMUBNEG-UHFFFAOYSA-N	238.247	-0.246	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)CN(C)C	1641242908	HYEQONHKPPILHC-UHFFFAOYSA-N	239.279	-0.949	50	10	BBGE	
Cc1ccc(C(=O)NNc2nc[nH]n2)c(O)n1	1654621895	OMPOFKGLJNUJLI-UHFFFAOYSA-N	234.219	-0.029	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@H]1Br	1877347497	MGNVELDCYNEDBG-GBNDHIKLSA-N	249.108	-0.781	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(N)=S)CCO1	1886029609	MHJFKTQUJFWJJV-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
CN1C[C@H](N(C)C[C@@H](O)CCl)CC1=O	1887643165	YRYWGTOMGJSNFE-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
CN(N)C(=O)[C@@H]1COC2(CCC2)CO1	1888220388	YVSFRRYRNGWLJU-ZETCQYMHSA-N	200.238	-0.343	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@H](C)CCCC(=O)NN	1901753771	ZLHIWRPZODMHSQ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(C)[C@@H]1CC[C@H]1NC(=O)C#CB(O)O	1902694571	ZNFYPKMDVVJLAC-RKDXNWHRSA-N	223.081	-0.057	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1CC[C@H](C(=O)NN)C1	1908359171	SRUMPORRMBCTNT-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1ccc(B(O)O)c(F)c1	1908958200	RZOGVIRNKWWOKH-WRWORJQWSA-N	240.039	-0.081	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccccn1	1913622413	XLLZDHGRENYCFN-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)O1	1927914978	AJDXBTXLJKHTKZ-DSYKOEDSSA-N	213.237	-0.547	50	10	BBGE	
O=c1[nH]cc[nH]c1=N[C@@H]1COC[C@@H]1CCl	1928744248	PFUCQFSZJIJDTM-NKWVEPMBSA-N	229.667	-0.143	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCCn2cnnn2)C1	1928751202	OZIVFHAPHWIVRK-YUMQZZPRSA-N	230.703	-0.816	50	10	BBGE	
C[C@H]1CCC[C@@H]1Cn1ccc(B(O)O)n1	1930304050	YMTGBKWINBJBGW-DTWKUNHWSA-N	208.070	-0.001	50	10	BBGE	
C[C@H]1CCS[C@H]1C(=O)NNCCO	1930900148	OHQCUWPZENGHHZ-NKWVEPMBSA-N	204.295	-0.259	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941082149	FJMCWIWGIRVXIX-YTWAJWBKSA-N	240.351	-0.363	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@H]2C[C@H]2C(=O)NN)c1	1941088831	SEIJBLSBCSOPRO-RKDXNWHRSA-N	232.243	-0.654	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)CC(C)(C)O1	1941783552	BUUCWJXORFVSSQ-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
N#C[C@H]1CCCN(CCOCC(=O)NN)CC1	1942983744	XVWZBZQOGFCLHX-JTQLQIEISA-N	240.307	-0.381	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(OC(=O)NC)C1	1943064451	ZJNCQVQXCVBKBA-QMMMGPOBSA-N	244.295	-0.815	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)[C@H](C2CC2)C1	1943084182	XUAQXWAEMRBYCO-WDEREUQCSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277847	UCZNMMTYEPLWJI-ZDCRXTMVSA-N	241.335	-0.011	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@@H]1CCCO1	1951072458	POZPYJREPKLCGW-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CSSCCNC(=O)CNCCO	1953939920	PAHIAGMMHITFTL-UHFFFAOYSA-N	224.351	-0.304	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H](N)CCS(C)(=O)=O	1954339869	FDNIVIWBUNTQES-WDSKDSINSA-N	227.713	-0.055	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955541087	NEUSUARMBVJHRE-OAHBRNHXSA-N	216.668	-0.457	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCn1ncnn1	1955557962	ICUZOOOXDAFFKI-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1C[C@@H](O)CCl	1956251889	KQKGDQGOTFVGTG-HRDYMLBCSA-N	223.700	-0.332	50	10	BBGE	
O[C@@H](CCl)CN1CC(n2ccnn2)C1	1956762089	YAUYYUDDHNEOIK-QMMMGPOBSA-N	216.672	-0.266	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](CF)C1	1956916667	BJTVCSPNXCPRRQ-SSDOTTSWSA-N	205.233	-0.963	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1C(=O)NCB(O)O	1959180008	CJRFXDUUNYKGQR-UJURSFKZSA-N	224.975	-0.297	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CSC1	1961695855	KFQRSIGQLIYFJA-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(CNC(=O)N2)C1	1974907421	FBFRKJKTOXCBJV-LURJTMIESA-N	231.683	-0.102	50	10	BBGE	
O=C1NC[C@@]2(CCN(C(=O)CCCl)C2)N1	1974909651	UOBJVIDHBCXHDD-SECBINFHSA-N	231.683	-0.101	50	10	BBGE	
C[C@H](C[C@@H](C)C(F)F)NC(=O)C(=O)NN	1974983175	JNVZOHHSFHTNNR-RFZPGFLSSA-N	223.223	-0.228	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1975527873	VOFADMVAXAJNNX-PSASIEDQSA-N	233.287	-0.449	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1	1980817101	RQYKAHHMTJHAHT-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(F)(F)C(=O)NN)[C@@H]1C	1981162659	HXXJVXNIGIPOBS-PHDIDXHHSA-N	235.234	-0.132	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1C[C@@H]2O	1981216197	GYLYZLNDXWASQK-VQVTYTSYSA-N	235.234	-0.933	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(F)(C2CC2)C1	1981216473	JPXGJUNBMOTVMZ-QMMMGPOBSA-N	231.271	-0.575	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(F)(F)C[C@H]1C	1981239429	KFWNLAGCYDENGH-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CC[C@@H]32)nc1	1981413265	DNYNIGIVWJWPAX-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C(F)F)nc1	1981414035	NDMBIPYXNXYEHJ-ZCFIWIBFSA-N	228.995	-1.000	50	10	BBGE	
CN(c1cccnc1)c1nc(B(O)O)cs1	1981472613	RWVOYIZTERXMDY-UHFFFAOYSA-N	235.077	-0.014	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H]1CCN1C	1987093872	WRZZXOMYOZFTHR-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCCc1nc(CNC(=O)C(=O)NN)cs1	1988055259	LRPREGMFWXJBBZ-UHFFFAOYSA-N	242.304	-0.298	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)NNCCO)C12CCC2	1988758966	UPCXTTCXOMVVAN-DTWKUNHWSA-N	228.292	-0.195	50	10	BBGE	
C#CC[C@H](C)CN(C)CC(=O)NNC(C)=O	1991291998	OSFLNGZLXRHSIE-VIFPVBQESA-N	225.292	-0.255	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@H]2COC[C@H]21	1991650613	OBSRUQFWYFNZIN-SFYZADRCSA-N	245.662	-0.066	50	10	BBGE	
C=C(CN(C)CC12CCN(CC1)C2)B(O)O	1992153693	RFUOSWZSPBZLLJ-UHFFFAOYSA-N	224.113	-0.418	50	10	BBGE	
CS(C)(=O)=NC[C@]12C[C@](C(=O)NN)(CO1)C2	1993881585	LCZFEUGGHGSVJQ-KYZUINATSA-N	247.320	-0.747	50	10	BBGE	
C[C@H]1C[C@H](OCCOCC(=O)NN)CCO1	1994677547	NODOXZMRIRYMGO-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
Cc1noc(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)n1	1997733004	FQULBHVUSURVKI-YUMQZZPRSA-N	239.279	-0.564	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H](C)C1	1998401116	PDHGOGXSILHPMY-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)C2(CCC2)C1	2000815998	YWFQTBLPEZBVSV-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
COC[C@@]1(C)COCCN1CCCC(=O)NN	2002850619	MRDOMMNDSAVRPY-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@@H](F)C2)nc1	2004919216	VZHFMLGICIAFBW-SECBINFHSA-N	239.059	-0.515	50	10	BBGE	
CC[C@H]1CC[C@H](C)N1c1ncncc1B(O)O	2004919598	AZUNSUFVSBLDMM-IUCAKERBSA-N	235.096	-0.076	50	10	BBGE	
CC[C@H](COC)N(C)c1ncncc1B(O)O	2004921754	ZRWGHOPBRXDJHF-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1COC(C)(C)CO1	2007706316	CHCGLJJTNGNSDY-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CCN1C[C@@]2(F)CCC[C@]2(CO)C1	2007743657	KQXFUDJWRBYVLM-MNOVXSKESA-N	245.298	-0.447	50	10	BBGE	
CN(CCO)CC1(F)CCC(C(=O)NN)CC1	2008945856	NMKCQNNQCUMUEC-UHFFFAOYSA-N	247.314	-0.201	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CO[C@H]2C[C@@H]1C2	2011813343	QPUVMFYZMXAHCB-QUARPLMYSA-N	239.319	-0.278	50	10	BBGE	
O=C(NCC#CB(O)O)C1(CC(F)(F)F)CC1	2021109910	NMVVAJMEVJQXCZ-UHFFFAOYSA-N	248.997	-0.149	50	10	BBGE	
CO[C@@H]1CCC[C@H](C(=O)NCC#CB(O)O)C1	2021114320	LZOSRTJDQOWJJP-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
CC=CC(=O)NCCc1ccc(B(O)O)cc1	2025202383	CUOHAMGJFFLYSE-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(B(O)O)cc1OC	2060018642	YOJQXULUXKYAGP-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
COc1cc(B(O)O)c(OC)cc1OC(F)F	2060186224	JHMXULGBCOCIOD-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
N#Cc1cc(OC(F)F)cc(C=O)c1B(O)O	2060268136	HSNHHDASXDCIFZ-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
COc1cc(B(O)O)cc([N+](=O)[O-])c1C=O	2060268360	MPGHLUKYWKKQRR-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(OC)c1B(O)O	2060324657	JWQLORITARTXBS-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NCB(O)O)O1	2209647280	LXGCQHJKMZCCGD-RQJHMYQMSA-N	201.031	-0.928	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1CC(=O)NN	2209758485	PYYYSXIIWPFSTI-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
C=C1CC(N(C)c2cc(B(O)O)ccn2)C1	2212602846	KOAFVUVXKQTUAQ-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
C#CCN(c1cc(B(O)O)ccn1)C(C)C	2212605200	ZJOBJOISOGXBHN-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
CC(C)[C@@H](N)COc1cc(B(O)O)ccn1	2212605593	HJKAFHHTIIERRG-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
OB(O)c1ccnc(OCCOC2CC2)c1	2212611597	CAKKQEHUVYSDQY-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
Cc1ccn(Nc2cc(B(O)O)ccn2)c1	2212615742	UFGJSCQEHSJPIW-UHFFFAOYSA-N	217.037	-0.253	50	10	BBGE	
NNC(=O)CCN1Cc2ccccc2CC1=O	2214859289	ZUGSVTSNDYYOTO-UHFFFAOYSA-N	233.271	-0.049	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2217181433	PWNQSMDIMKJRPW-SCZZXKLOSA-N	238.096	-0.426	50	10	BBGE	
CO[C@@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2217184697	RAJBVARDVXVXNX-DTWKUNHWSA-N	237.068	-0.864	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cn2)CCCOC1	2217197012	WQWMADAXAJNIKE-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2220795157	KSQRTUVGWTWGTD-DVVUODLYSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@@H]2CC[C@@H]21	2223650651	PAPUSPHEXSZEET-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1B(O)O)C2	2223668714	ABVCTWJFQVNLEZ-GUBZILKMSA-N	247.107	-0.923	50	10	BBGE	
C[C@@H]1CNCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223669341	IQUIZDFXTGMWCE-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
Cc1nscc1CC(=O)NCC#CB(O)O	2242926557	BRMKIBITMMZDMA-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
Cc1nc(C(=O)N(O)C(C)C)c(B(O)O)s1	2243358738	KAZDUELHKGRZDT-UHFFFAOYSA-N	244.081	-0.629	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2C[C@H]21	2243362769	WGZQKZPFRKRSAU-HTRCEHHLSA-N	221.021	-0.806	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)N	2243366237	ZEWGUPPGPKLZHN-SSDOTTSWSA-N	228.101	-0.375	50	10	BBGE	
O=C(c1cccc(B(O)O)c1Cl)N1CCC1	2243367601	VQENESTUOPRPAJ-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C[C@@H](CCO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243380984	BMQWLRHKOUDPPT-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
CSC[C@@H](NC(=O)C#CB(O)O)C(C)(C)C	2243400095	VVFTUQVUXUEDBV-MRVPVSSYSA-N	243.137	-0.104	50	10	BBGE	
CN(CCC1CNC1)C(=O)C1(B(O)O)CC1	2243408436	NCKJWABWDYLNFG-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243411348	RTSCCWHZXRZFFM-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CCC1(C)C)B(O)O	2243411802	AJXHWUQYDIGELZ-QMMMGPOBSA-N	247.125	-0.337	50	10	BBGE	
O=C(NCCF)Nc1ccc(B(O)O)cc1	2243454143	SLPWUIGOIDRFIY-UHFFFAOYSA-N	226.016	-0.543	50	10	BBGE	
C#CC(=O)N(C)Cc1sc(B(O)O)cc1C	2243677899	BDVDFGJHCKPCSU-UHFFFAOYSA-N	237.089	-0.672	50	10	BBGE	
COCCN(C[C@H](C)O)[C@@H](C)CC(=O)NN	2244884670	XATOMTDXTHNCQO-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
CO[C@H](C)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912556	CBAOXWOIIHMOGD-ZCFIWIBFSA-N	244.487	-0.717	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(CF)C2)n1	2247143923	SSULUORTEHOXJP-UHFFFAOYSA-N	240.043	-0.824	50	10	BBGE	
O=C(Nc1ccccn1)c1nscc1B(O)O	2247733695	OUEUVEFDVBHUKW-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(CCC2)C1	2247739908	CQTCTWKEOGFLBG-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
O=C(N1C[C@H]2CCO[C@H]2C1)C1(B(O)O)CCC1	2247753589	BAPCVPSXUBJBGC-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(C)c(B(O)O)o1	2247788659	JGPNRYOKRPJXHC-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H]1[C@H](CO)C2	2247797593	LFMUTUAWSZJEAN-OEZYJKACSA-N	239.080	-0.779	50	10	BBGE	
CC12CC(CNC(=O)[C@@H]3C[C@@H]3B(O)O)(CO1)C2	2247799020	ZDKZANCYYFTVQG-NOFHBMEESA-N	239.080	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CCO)C1CCCC1	2247800970	VOAORMCKYNBUIK-ZJUUUORDSA-N	241.096	-0.387	50	10	BBGE	
CC[C@@H]1COCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247809155	OGCBFYIYDKHGHO-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)C1CC(B(O)O)C1	2247809281	OOIUYENHRPTWLT-IDKOKCKLSA-N	240.112	-0.645	50	10	BBGE	
CN(C[C@@H]1C[C@@]12CC2(F)F)C(=O)C#CB(O)O	2247848771	QBSGDTFVZKBJRX-IONNQARKSA-N	243.018	-0.495	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1CNC(=O)C#CB(O)O	2247850001	IPCRUBWIZVPRTC-GWOFURMSSA-N	235.092	-0.200	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]2C[C@H]21	2247850277	MHTGHPRWYZUUDC-GMSGAONNSA-N	234.064	-0.681	50	10	BBGE	
CC(C)CO[C@H]1CCN(C(=O)C#CB(O)O)C1	2247850363	NJJOHGNXQJLFNG-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@@H]1CC[C@@]12CCCO2)C1(B(O)O)CC1	2247854187	YJGHFDKDQKOXEF-KCJUWKMLSA-N	239.080	-0.179	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247855586	VBEPEENYYAJXLV-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1F	2247870131	FKHDHBOYXZQUST-IMTBSYHQSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1CCC[C@H]2COC[C@H]21)C1(B(O)O)CC1	2247880008	ZVEYSPUWMOIQLJ-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
CCCOCC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887974	UJARWOJBSNUINQ-NXEZZACHSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CO1)[C@@H]1C[C@@H]1B(O)O	2247898612	GDFUKFTVNZYXBS-XVMARJQXSA-N	249.022	-0.610	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C=CCC1	2248415099	UZFOUDGHAATXDB-QMMMGPOBSA-N	232.048	-0.334	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H](C)C(=O)O	2248589968	XFTIOHXHZLHUMA-LHZZQDSXSA-N	243.068	-0.535	50	10	BBGE	
CC1(C)COCN1C(=O)c1cocc1B(O)O	2249417301	DRNLFPWKRLTIGU-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2249419770	LDDUHGQDNNKLEB-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2(C)O	2249593501	XEAZXBAVXUNRBY-OQQZPARHSA-N	241.335	-0.296	50	10	BBGE	
COCCN(C[C@H](C)O)CC(C)(C)C(=O)NN	2250550332	BABKPSMTMPRDQO-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1ccoc1B(O)O	2255469157	LISVCVKTGUMKBI-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1cncc(B(O)O)c1	2255523209	RBUCOJUHLRHYKL-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)c2ccc(B(O)O)cc2)C1	2255529110	FFXWDDREEJOILH-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1n[nH]cc1B(O)O	2255553767	CKWJFJBUXFSQQL-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2ccnc2)C1)[C@@H]1C[C@@H]1B(O)O	2255568440	MMMNGZPCZRODIK-RGOKHQFPSA-N	249.079	-0.434	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]2C[C@@H]2C1	2255691661	GPOIJXPCYGTQFY-MBTKJCJQSA-N	248.091	-0.767	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1coc(B(O)O)c1	2255723397	CFCOKJYUHHLFBM-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
Cc1ccnc(C(=O)N[C@]2(C)C[C@H]2C)c1B(O)O	2255783115	ALPMETRIIAPQQH-PRHODGIISA-N	248.091	-0.402	50	10	BBGE	
N#Cc1cccc(C(=O)NCCC#CB(O)O)c1	2258963672	WLTPCELNHIJUBU-UHFFFAOYSA-N	242.043	-0.306	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCOC[C@H]1F	2298377037	BORMLCORVSLUHL-BGZDPUMWSA-N	245.059	-0.565	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CNC[C@@H]1F	2303695550	CMMSZQUTELFMIP-PEBLOWIWSA-N	244.075	-0.992	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CNC[C@H]1F	2303697254	CMMSZQUTELFMIP-XAVMHZPKSA-N	244.075	-0.992	50	10	BBGE	
OB(O)c1cc(N2CC=C(F)CC2)ncc1F	2303847124	DESGKMBSOSCHIA-UHFFFAOYSA-N	240.018	-0.036	50	10	BBGE	
CO[C@@H]1C[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317310715	DZRSEXPZUPXQIV-JOYOIKCWSA-N	249.075	-0.374	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311624	SGPFVTDGTCTGCM-UFBFGSQYSA-N	249.075	-0.692	50	10	BBGE	
N[C@@H]1[C@@H](O)C[C@H](C(=O)O)[C@H]1Br	13805312	NAMUYDLTJMUKFY-QMKXCQHVSA-N	224.054	-0.457	50	10	BBGE	
O=C(CCl)NNc1ccc2nncn2n1	35483082	HSUMLKNXZUFYPK-UHFFFAOYSA-N	226.627	-0.194	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCN1CCN(C)CC1	37759828	WDLSAMKNHRLDBI-SECBINFHSA-N	233.743	-0.023	50	10	BBGE	
NNC(=O)CN1C(=O)CCc2cc(N)ccc21	84826023	GSWLYHUBKZIGEM-UHFFFAOYSA-N	234.259	-0.462	50	10	BBGE	
C[C@@H](CO)CSC[C@@H](C)C(=O)NN	85140669	CVDBUGZSYAPNAI-NKWVEPMBSA-N	206.311	-0.026	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(C)(O)CC1	88023287	OZRQJISPFPKJRB-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CSc1ncnn1C)C(=O)NN	128060979	ODKUVIQQZZKPLD-YFKPBYRVSA-N	215.282	-0.467	50	10	BBGE	
N#Cc1ncn(CCC(=O)NN)c1C#N	159474622	LELQUHWPBUXLGK-UHFFFAOYSA-N	204.193	-0.994	50	10	BBGE	
COC(=O)[C@H](Cl)CSCC(N)=O	166253159	NZADLKLOTKVRNM-SCSAIBSYSA-N	211.670	-0.015	50	10	BBGE	
CC(C)(Cn1cc(Cl)cnc1=O)C(=O)NN	168223393	LZGQFDQWEOBZDK-UHFFFAOYSA-N	244.682	-0.087	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C[C@H](O)CCl	197498745	CPYOOCOYXCSORC-RKDXNWHRSA-N	224.732	-0.560	50	10	BBGE	
COC[C@@H](CO)NC(=O)[C@H](C)Br	229037272	UPFFGDXIORKNFJ-NTSWFWBYSA-N	240.097	-0.107	50	10	BBGE	
C[C@H](C[S@@](C)=O)N1CC(=O)OC(=O)C1	229064674	FICWJODMAKUTPJ-RWBAJPLHSA-N	219.262	-0.861	50	10	BBGE	
O=C1CN([C@H]2CCSC2)CC(=O)O1	231417560	PDAOBQQVZLTRSF-LURJTMIESA-N	201.247	-0.123	50	10	BBGE	
COC[C@H](Sc1nnc(C)[nH]1)C(=O)NN	232421573	UGOSAKWKHGPASD-YFKPBYRVSA-N	231.281	-0.790	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C)C[C@@H]1C	235667193	NKGORCKIWAUHRC-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C1	252780802	QYJFFDAOVICCCC-DOLQZWNJSA-N	229.324	-0.296	50	10	BBGE	
CSCC(=O)NNC(=O)C(=O)N1CCCC1	299538377	ILZDYPIVCJRXRW-UHFFFAOYSA-N	245.304	-0.881	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)c(F)cn1	306963503	CTHSVYVQYHNDPJ-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
Cn1cc(CNC(=O)NC(=O)CCl)nn1	307246220	XPWKYVXCSOVMPQ-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
O[C@@H]1[C@H](F)O[C@H](CCl)[C@@H](O)[C@H]1O	307516894	TWUKFHBIOCRRBD-DGPNFKTASA-N	200.593	-0.998	50	10	BBGE	
CCOC(=O)NNC(=O)c1cncnc1N	309242135	BBCWQOSDCLHEFU-UHFFFAOYSA-N	225.208	-0.550	50	10	BBGE	
COCCOCOc1ccc(B(O)O)cc1C	310306380	RSOSGHFSFGDIHF-UHFFFAOYSA-N	240.064	-0.326	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](C)[C@@H](C)C(=O)NN	379011569	MXMPAXDGRCDRKJ-IWSPIJDZSA-N	217.313	-0.296	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	381638090	OSGLEJHPHIWCBB-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCOC(C)C	382853185	KIDLQKMSFRLRHF-JTQLQIEISA-N	247.339	-0.262	50	10	BBGE	
CC(C)S[C@H]1CCN(C(=O)C(=O)NN)C1	382960424	QYJWOSHBZBKACM-ZETCQYMHSA-N	231.321	-0.281	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(O)(C(C)C)C1	394911395	OLUYIHGGPWWKQL-VIFPVBQESA-N	229.324	-0.296	50	10	BBGE	
COc1cc(CCC#N)ccc1B(O)O	396030121	HCOBTXMRVKGTRX-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
COC(=O)CCc1cc(C)ccc1B(O)O	396145831	UZGMNXCKKMFHHP-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
Nc1cc2c(B(O)O)cc(CO)cc2s1	396238486	DVCBMTYFMRRZGM-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC[S@](C)=O	399896256	JCVBAORTUIEXHM-UOWDBTKRSA-N	221.326	-0.935	50	10	BBGE	
CNC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405151432	RSDGDAMEIWEZQV-ZETCQYMHSA-N	222.053	-0.644	50	10	BBGE	
N=c1nc([N+](=O)[O-])[nH]n1C[C@@H](O)CCl	687769352	AQEARDFBZTZGBY-VKHMYHEASA-N	221.604	-0.801	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)[C@H](C)C1	688122542	RNRWSHPDDSSHHG-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)c1cc(Cn2ccnn2)cs1	689150045	NSYGXKXVLGKCON-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C[C@@H](CN1CCC[C@H](C#N)C1)C(=O)NN	693906988	HRJFQIKTMMGTPR-DTWKUNHWSA-N	210.281	-0.152	50	10	BBGE	
CCN(CCO)[C@H](CC(C)C)C(=O)NN	695075568	DKPVWCSOCSYUGN-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC[S@@](C)=O	695114224	ZDROBUCJWXUYAQ-JDNHERCYSA-N	249.380	-0.299	50	10	BBGE	
O=C(O)CN1CCN(CCCl)CC1	701708909	ULWJNAGPMSZZKW-UHFFFAOYSA-N	206.673	-0.073	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	707961837	NLTKDKXYTIIILS-QPUJVOFHSA-N	245.087	-0.135	50	10	BBGE	
ClC[C@H]1COCCN1CCn1cnnn1	712593025	WPQJVCSVRZHTLA-QMMMGPOBSA-N	231.687	-0.387	50	10	BBGE	
NC(=S)NNC(=O)COC1CCC1	716856844	GTGBURCDIPTOJY-UHFFFAOYSA-N	203.267	-0.580	50	10	BBGE	
C#CC[C@H](COC)N1[C@H]2CC[C@H]1C(=O)OC2=O	716916403	OUZQIIJGLUBJNI-UTLUCORTSA-N	237.255	-0.059	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2C[C@H]1CO2	718291833	XMQHIKAHIFUMPY-IUCAKERBSA-N	248.286	-0.342	50	10	BBGE	
NNC(=O)CN1CC[C@H]2CC[C@H](O)[C@H]1C2	721713530	ARXIDKGXIATYLT-HLTSFMKQSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnn[nH]1)n1cccn1	729457327	CMTKDWOYEPKBCD-LURJTMIESA-N	249.234	-0.977	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733813328	GVHQJIFASHTXRB-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
C=C[C@@H](C)NC(=O)NNC(=O)[C@@H]1COCCO1	756976297	YNQMWAROWQSNME-SFYZADRCSA-N	243.263	-0.693	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@]2(C)CCCO2)COC1	833486084	NQHSYSISXIREOV-NSHDSACASA-N	242.275	-0.261	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc[nH]1	929421004	JDLGMEIXTPMCJF-HTRCEHHLSA-N	223.232	-0.189	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cc[nH]n1	1162184843	GWINDOCCWRRVJC-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
C[C@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	1290713243	YUAWRGNGUUODDQ-PFSJDWCMSA-N	234.259	-0.176	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC1CC(C)(C)C1	1330785905	HGJBLXSPJXLOIP-UHFFFAOYSA-N	243.263	-0.322	50	10	BBGE	
CC#CC(=O)NNC(=O)c1cccnn1	1455249923	YSTQLWPHTUHJGQ-UHFFFAOYSA-N	204.189	-0.739	50	10	BBGE	
Cn1ccc(NNC(=O)c2cc[n+]([O-])cc2)n1	1611267785	NCMOWDVXEFJBHT-UHFFFAOYSA-N	233.231	-0.190	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnnc(O)c2)n1	1641538304	KOCSXEBXSQFLGD-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
C[C@H](Cl)CNC(=O)COCC(=O)O	1866081525	HKIOLKFRKUBPTQ-YFKPBYRVSA-N	209.629	-0.169	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H](N)CCC(N)=O	1866101606	RHDGRAVNXCZKCP-NTSWFWBYSA-N	221.688	-0.677	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@@H]1C[C@@H]1Br	1877374187	RCRMZSJMQMORKP-HCWXCVPCSA-N	237.097	-0.794	50	10	BBGE	
COC(=O)[C@H](CN)NC[C@H]1C[C@H]1Cl	1883550292	DWVGRESOUKRGCT-QYNIQEEDSA-N	206.673	-0.296	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCSC1	1892919318	HRQGIZAHLFYYHJ-ZETCQYMHSA-N	215.083	-0.576	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)C(CO)CO	1893409740	ABJILTOQGDYBMV-UHFFFAOYSA-N	221.640	-0.880	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@@H](O)C1	1893474435	IWKOIEPXUCLWQH-YWIQKCBGSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](O)[C@@H](N)CNC(=O)C1CC(Cl)C1	1893482694	YGKCAWPUGNPCOZ-UMULYZNJSA-N	220.700	-0.172	50	10	BBGE	
C[S@](=O)C1CN(C(=O)/C=C/C(=O)Cl)C1	1893504413	HKXNIOCTEOKATL-HSWBROFVSA-N	235.692	-0.103	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N1CCOC[C@@H]1N=C=O	1894566991	MJKQDUVPSHGUBK-IWSPIJDZSA-N	246.288	-0.281	50	10	BBGE	
COC[C@H](O[C@@H]1CCO[C@@H](C)C1)C(=O)NN	1897966052	REIPZMTWIKNOIH-YIZRAAEISA-N	232.280	-0.425	50	10	BBGE	
Cc1csc(C(=O)N2CC[C@@H]2C)c1B(O)O	1899942790	YNIPPSOOUFNYLH-ZETCQYMHSA-N	239.105	-0.029	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@H]1CO	1901757874	WTGLTBQUVIXNNN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@H](B(O)O)C2)C1=O	1902528293	FZBMRUWHHSQTBK-IUCAKERBSA-N	226.085	-0.987	50	10	BBGE	
CC/C=C\CN=c1cc(B(O)O)c(F)c[nH]1	1903011084	WSRDVMWSLIQBST-ARJAWSKDSA-N	224.044	-0.300	50	10	BBGE	
CC(C)N1CCN([C@@H](C)CC(=O)NN)C(=O)C1	1906994732	CNIKSLQJNKIPKX-VIFPVBQESA-N	242.323	-0.693	50	10	BBGE	
CC(C)(CCl)C(=O)NCC(O)(CO)CO	1913802081	PWCPMUWVXHHVAN-UHFFFAOYSA-N	239.699	-0.917	50	10	BBGE	
CC[S@](C)(=O)=NCc1ccccc1B(O)O	1913884029	KGKLOGIOEYCJSP-INIZCTEOSA-N	241.121	-0.016	50	10	BBGE	
C[C@H](CN(C)C1CC(O)C1)C(=O)NN	1914574679	NZSCFLIOKAGJML-JECWYVHBSA-N	201.270	-0.933	50	10	BBGE	
COCC[S@](C)(=O)=NCCC(=O)NN	1918073431	ZYGYKGBCSJYRPZ-AWEZNQCLSA-N	223.298	-0.889	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1927913515	JYDFBXMDIFOGOR-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@@H]21	1928027681	XFOJFPLOLAUPSL-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
COC[C@H](Cl)CNC(=O)Cn1cnnc1	1928689893	CHSNRLHSRGSLSV-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
OC[C@@H]1C[C@@H]2OCC[C@H]2N1C[C@@H](O)CCl	1928936947	LNEVDZWIHYKFSH-QEYWKRMJSA-N	235.711	-0.190	50	10	BBGE	
NNC(=O)CCCCN1CC(CCO)C1	1932109106	VLNQINQJPWYNAW-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1936081696	APGKXBZMJODNGG-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
CC(C)OCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1936094719	PKRDQLIZDQEHLL-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
CCC[C@@]1(O)CCN([C@H](C)CC(=O)NN)C1	1937988643	XRRLMIUVJMGBCG-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@@H](Cl)C(=O)O)C[C@H]21	1939088047	MHSBNUUZJUUUMJ-IWSPIJDZSA-N	248.710	-0.307	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCCN1CCCC(=O)NN	1940291304	JWNRSYLIVDBHTF-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1940525669	SYHNLPBHIVRCKF-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@H]1C[C@@H]1C(=O)NN	1941089242	UYMVRWOJQWITEO-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@H](C2CC2)C1	1943083821	RECWKCKYQLZCNM-MPKXCIJOSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2[C@H](C1)[C@@H]2CO	1944547001	FWIXOAQKCSBCDS-QUARPLMYSA-N	239.319	-0.827	50	10	BBGE	
CC[C@]1(C)CN(CCOCC(=O)NN)CCO1	1947270019	BEVKBLCUOHWGIQ-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
N#C[C@H](O)c1ccccc1S(N)(=O)=O	1951360249	AHIRYXXIGUPFTD-ZETCQYMHSA-N	212.230	-0.109	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccccc1S(N)(=O)=O	1952822524	ZWQSJAQFSDGNCA-CBAPKCEASA-N	241.272	-0.782	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCNC(=O)C1	1954505687	IMNGQQPLPKPWEH-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CN2CC[C@H]1C2	1958209338	BWTGMQSSGYDGCH-IUCAKERBSA-N	212.297	-0.998	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CCC(=O)NN)C2	1958741181	IMJYPOIIISCRAW-BDAKNGLRSA-N	212.297	-0.998	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCN2CC(=O)NN)C1	1961388260	PQXPMUIVKDSRQA-DTWKUNHWSA-N	212.297	-0.998	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCn1cccc1	1961477071	BRQYMTJDCXAURU-SECBINFHSA-N	210.281	-0.202	50	10	BBGE	
C[C@@]1(F)CCN(c2ccc(B(O)O)cn2)C1	1981408863	GHHIFUNSMCRZNC-SNVBAGLBSA-N	224.044	-0.300	50	10	BBGE	
CON(c1ccc(B(O)O)cn1)C1CCC1	1981411853	OYPQYXIGWYYRLL-UHFFFAOYSA-N	222.053	-0.318	50	10	BBGE	
OB(O)c1cnccc1OC1CC(F)(F)C1	1981430654	QMIKBESGJJUBJP-UHFFFAOYSA-N	228.991	-0.062	50	10	BBGE	
Cc1nc(N2CC(C)(F)C2)ncc1B(O)O	1981447036	HSGQSJKUJWZBAY-UHFFFAOYSA-N	225.032	-0.987	50	10	BBGE	
CN(C[C@@H]1CCOC1)c1nc(B(O)O)cs1	1981471878	MAXKTJPNJRAUPT-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCC(F)(F)F	1984101854	OUFXXDDBWCNNKC-UHFFFAOYSA-N	234.970	-0.520	50	10	BBGE	
CC1(C#N)CN(CCC(F)(F)C(=O)NN)C1	1984128980	XJJDKFAABATBKC-UHFFFAOYSA-N	232.234	-0.153	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]2OCC(=O)N[C@@H]2C1	1986842839	YSNGTBBLWNAOCJ-DJLDLDEBSA-N	243.694	-0.293	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COC[C@H]1CC(=O)O	1987644354	VDMJOWCVZIGPEH-RNFRBKRXSA-N	231.252	-0.748	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CO)C12CCC2	1988759590	ASPFOVRPRSZVQI-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)COCCO[C@H]1CCOC[C@@H]1F	1991733012	ZNFOCKWSTXNQRE-YUMQZZPRSA-N	236.243	-0.864	50	10	BBGE	
C[C@@H]1[C@H](OCCC(=O)NN)C2CCN1CC2	1992113896	OQMIBTCQVMOAKW-KCJUWKMLSA-N	227.308	-0.134	50	10	BBGE	
C=C(CN(C)CCCn1cccn1)B(O)O	1992146112	QOYPTNKMAXKAMW-UHFFFAOYSA-N	223.085	-0.227	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1C(=O)NCC#CB(O)O	1992153953	UEAFMQPEVDSKGI-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
CO[C@H]1C[C@@](CO)(NC(=O)C=CC(=O)Cl)C1	1992272132	RJLGHZGZMUPHPB-WKFQBHICSA-N	247.678	-0.036	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	1992535841	MKCWEIMXJZDILG-SGIHWFKDSA-N	227.308	-0.687	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)c1ccco1	1996647035	ZFNAHCSAWXVYQX-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1ccc(B(O)O)cn1	1996647240	JVCNTOJXBGXYOL-QMMMGPOBSA-N	236.080	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H](C)CO1	2001540834	XKYJSBIHZIVTMK-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@]2(CCOC2)C1	2002821504	AJJFUGYGNYTAIW-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CN1Cc2cnn(C)c2[C@H]1C)C(=O)NN	2003028942	ZXGRXKJAAZJJFH-HTQZYQBOSA-N	237.307	-0.077	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(n2ccnn2)CC1	2004032671	WKRDECJJAGZTGF-QMMMGPOBSA-N	238.295	-0.707	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1ccncc1B(O)O	2004911698	JZHXSMXDWMVAGH-RKDXNWHRSA-N	232.092	-0.146	50	10	BBGE	
C[C@H]1CCCN(c2ncncc2B(O)O)[C@@H]1C	2004921568	XNPZQQBTSHDXHS-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
CC[C@H](C)CN(C)c1nc(C)ncc1B(O)O	2005014676	ORSUAGDWYNIZKR-QMMMGPOBSA-N	237.112	-0.053	50	10	BBGE	
Cc1nc(N(C)[C@H](C)C(F)F)ncc1B(O)O	2009011886	HZXLPARYWASRMM-ZCFIWIBFSA-N	245.038	-0.445	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H](C)C(F)F)n1	2009013315	WHDLYQOIBBQDKX-RXMQYKEDSA-N	245.038	-0.445	50	10	BBGE	
C[C@H](CN1CCC[C@@]2(CC[C@H]2O)C1)C(=O)NN	2013329968	RGBTYCSSZWKMFQ-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2019178341	DIUXNGPWIKADLZ-SRSLHRDFSA-N	247.245	-0.403	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2[C@H](C1)C2(F)F	2019217899	BVJMJRXPXKNLCI-YUMQZZPRSA-N	247.245	-0.259	50	10	BBGE	
CC1CCC(NC(=O)NCC#CB(O)O)CC1	2021113164	DIYRAAIXPMAUHO-UHFFFAOYSA-N	238.096	-0.120	50	10	BBGE	
CCOC1CC(CC(=O)NCC#CB(O)O)C1	2021158191	YEBSXDIUMCLZSV-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@H]2OCC[C@@H]2O1)B(O)O	2021158536	DWPXJVNSZVJBAQ-GARJFASQSA-N	241.096	-0.567	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccccc1B(O)O	2022200225	QBCYTNOYQNWKRI-KWQFWETISA-N	233.076	-0.153	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H](O)C12CCC2	2023235610	CTNSYROGGHJWBC-DTWKUNHWSA-N	241.335	-0.010	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1CC12CCC2	2040762682	GTVGXIFQFOJZTM-MRVPVSSYSA-N	247.063	-0.715	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2OCC[C@H]2C1	2052490875	FUNCQZCVWOPTBF-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC[C@H]3C[C@@H]32)n1	2085930472	XVYIADAWLNUUNT-LPEHRKFASA-N	248.091	-0.049	50	10	BBGE	
C[C@H]1CN(Cc2nscc2B(O)O)CCO1	2211137508	HPMUYQNGSZTHBI-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211838399	HBWZPDKUXIZXQV-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CCN(CC1(C(=O)NN)CCC1)C1COC1	2212248388	XINJGEZHHNYITC-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C1(CN2CCC(O)CC2)CCC1	2212267943	ZRKKGMLRLOGWFN-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CN(CC(C)(C)F)c1cc(B(O)O)ccn1	2212602706	IMJOTSPVZCDQPN-UHFFFAOYSA-N	226.060	-0.054	50	10	BBGE	
Cc1cc(Oc2ccc(B(O)O)cn2)n[nH]1	2212606456	UMVKYNPOHCQHJX-UHFFFAOYSA-N	219.009	-0.415	50	10	BBGE	
CCC[C@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2212611978	GFGUJCBPQOXMJJ-CBAPKCEASA-N	221.069	-0.243	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H]2COC[C@H]2C1	2215776680	OJOKQVGJRVXACI-MMWGEVLESA-N	239.319	-0.419	50	10	BBGE	
Cc1cnc(N[C@@H]2COC[C@@H]2F)cc1B(O)O	2217184492	PGGHKWXCRJDISE-DTWKUNHWSA-N	240.043	-0.781	50	10	BBGE	
C[C@@H](C[C@@H](C)CN)Oc1ccc(B(O)O)cn1	2217191798	LOBGUQRJRQCXHH-BDAKNGLRSA-N	238.096	-0.486	50	10	BBGE	
CCC[C@](C)(CN)Oc1ncc(B(O)O)cn1	2217191905	VVSXKWLJRPEJLV-SNVBAGLBSA-N	239.084	-0.947	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1c1ncccc1B(O)O	2217202728	ZHMWVCHLYZGLJD-BDAKNGLRSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccon1	2217203470	VMGLFRGCZWDQDQ-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
Cc1cnc(N[C@H](C)c2ncon2)cc1B(O)O	2223647731	BQMQTIOLBZKIKK-SSDOTTSWSA-N	248.051	-0.374	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3OCC[C@H]23)cc1B(O)O	2223651365	WPKVWGQDTSGXHT-FBIMIBRVSA-N	248.091	-0.341	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1c1ncccc1B(O)O	2223675804	YYIBAUUITUGTAK-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
O=C(NC1CC(O)(CO)C1)[C@@H]1C[C@@H]1Cl	2241592280	JGZNHIZMUSJGQZ-SSCUJNNDSA-N	219.668	-0.384	50	10	BBGE	
COC[C@@]1(C)C[C@H]1C(=O)NNCCO	2241614177	FLSQSATYJJFTFZ-IONNQARKSA-N	202.254	-0.728	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccoc1B(O)O	2243361769	GWQLQBMGPFHJIF-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1occc1B(O)O	2243364216	SWXATQNXAJTHLN-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
COC1(CN(C)C(=O)C2(B(O)O)CC2)CC1	2243368378	HRDMHUMQQBHCGD-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
O=C(NC1(CCO)CC1)[C@H]1C[C@@H](B(O)O)C1	2243381809	IZEKDBBBCDIOEI-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@H]2C1=O	2243382295	NBXYBVMJPSHYAC-NGJRWZKOSA-N	223.037	-0.756	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H](C(F)F)C1	2243396796	QURKSWXGTGGKQA-ACZMJKKPSA-N	233.023	-0.037	50	10	BBGE	
Cc1cccnc1CNC(=O)C#CB(O)O	2243401565	TWGWCYWYDGBNRV-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
CCC1(N)CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243403761	CCWSWKNRUBZXJN-VHSUDJNHSA-N	226.085	-0.765	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccoc1B(O)O	2243406516	ABVMNFFDDPOBNL-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
CNC[C@@H](C)N(C)C(=O)C1(B(O)O)CCC1	2243411261	QRCBVOZLBTZRHJ-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
O=C(N1CC(OC(F)F)C1)C1(B(O)O)CC1	2243411628	XQOGCTQXEWVHOB-UHFFFAOYSA-N	234.995	-0.557	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@H](C)C1)B(O)O	2243412472	NMOVFNLVFDFREU-QMMMGPOBSA-N	247.125	-0.384	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C)CC=CC1)B(O)O	2243433234	JVWITIZFSJIWIK-UHFFFAOYSA-N	245.109	-0.417	50	10	BBGE	
CC=CC=CC(=O)Nc1ncc(B(O)O)s1	2243685382	SZUGCRRWHXFVCE-UHFFFAOYSA-N	238.077	-0.106	50	10	BBGE	
NC(=O)NNC(=O)c1ccn(C(F)(F)F)n1	2245950841	ODZDLYHCQIHTQY-UHFFFAOYSA-N	237.141	-0.328	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCCCO1	2247737545	HZZNVRXUJGNIJQ-UHFFFAOYSA-N	238.052	-0.748	50	10	BBGE	
COC(C)(C)CNC(=O)c1ccc(B(O)O)o1	2247743139	ZISDOIXUFMZIED-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccoc2B(O)O)C[C@H]1C	2247744265	QDQBUFSLTORFHU-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2247748121	YCVZADHOAPTWHP-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CCO1	2247751507	YMBONHOKRKGAHS-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247755203	HUEQYBUXKZHYRH-JGVFFNPUSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1C(=O)C1(B(O)O)CC1	2247756687	UBNIKEQSQSVZSW-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
CC(C)C[C@@H](CN)NC(=O)C1(B(O)O)CCC1	2247757888	SJPOKTOOMVQJPW-VIFPVBQESA-N	242.128	-0.127	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)cn1C1CC1	2247758589	MOILCYAKVNXOKP-UHFFFAOYSA-N	238.052	-0.646	50	10	BBGE	
O=C(N1CCNCC(F)(F)C1)C1(B(O)O)CC1	2247758740	XBVJDRPLVHAPFN-UHFFFAOYSA-N	248.038	-0.940	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247805163	JRRRLLNUCWFRRC-AEJSXWLSSA-N	241.096	-0.267	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)C2CC(B(O)O)C2)C1	2247808769	WDEXKQMQQDBLRW-AMUVOQDHSA-N	240.112	-0.421	50	10	BBGE	
NCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247810387	XAGATAZGOQECRY-LPEHRKFASA-N	240.112	-0.421	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C#CB(O)O)cn1	2247849681	DBXYBRSMODDUHD-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
Cc1cc(NC(=O)c2occc2B(O)O)on1	2247853676	PRVUWCKODOHKFQ-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247859531	NMZCJLHTIHWVBO-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247860547	YAWOUQWUMGWVKK-KGDYZURWSA-N	240.112	-0.567	50	10	BBGE	
C#CCC1CN(C(=O)c2sccc2B(O)O)C1	2247868752	HXOOOFIABSILRS-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2NCC[C@@H]21)C1(B(O)O)CC1	2247872529	UAUJQTZIVNIFSL-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CCOc1n[nH]c(NC(=O)C2(B(O)O)CC2)n1	2247873611	KJOBJADZDDARDL-UHFFFAOYSA-N	240.028	-0.851	50	10	BBGE	
CN1CC=C(CNC(=O)C2(B(O)O)CC2)CC1	2247878544	LIPWNWXJCRKFIP-UHFFFAOYSA-N	238.096	-0.629	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(C)c(B(O)O)o1	2247890173	HZQJMWOKVPTTQB-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
COC(OC)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247894429	GSNJMPLFFDRLPI-XLPZGREQSA-N	245.084	-0.685	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900296	VPIIOVLQUVSOQL-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@H]1N	2247910636	QMPMFMZYMQZGJH-AUXWQGHOSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC1CCC1)c1cc(B(O)O)ccc1O	2248033485	RUJXMPHKQDHRLL-UHFFFAOYSA-N	235.048	-0.646	50	10	BBGE	
CC[C@H](CCCC(=O)O)NC(=O)C#CB(O)O	2248589294	OLABVLDFSMVHNG-MRVPVSSYSA-N	241.052	-0.849	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C2CCC1CC2	2249422350	CMFZUTFLBQLGQR-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2249423581	KJMWSOCNEJBUDN-GMSGAONNSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccncc1B(O)O	2255452957	CZFPMNSRJBFFTB-AKZRSSKFSA-N	246.075	-0.710	50	10	BBGE	
C#CC1(CNC(=O)c2occc2B(O)O)CCC1	2255486761	FQUVPZUOSFKPNQ-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1c(C)cccc1B(O)O	2255509954	QSJCTAHKPLKEIY-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2255522358	IUUVZMIDWKIUFX-NSHDSACASA-N	248.091	-0.224	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3n[nH]cc3B(O)O)[C@@H]1C2	2255548561	BLITWSRUMFHQCU-FMTFEUNWSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](C#N)C2)oc1B(O)O	2255573903	TTYDNGNXBHUHPO-MRVPVSSYSA-N	248.047	-0.747	50	10	BBGE	
O=C(NCc1cncn1C1CC1)[C@H]1C[C@H]1B(O)O	2255782700	GLQOBSKOBOMXQO-VHSXEESVSA-N	249.079	-0.303	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(B(O)O)cc1O	2255951704	JIPBPJCIWZQXTQ-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
O=C(c1cocc1B(O)O)N1[C@H]2C=CC[C@H]1CC2	2258139235	UMNPZEMOMAFWOG-IUCAKERBSA-N	247.059	-0.108	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298165071	BADQWWKYYDDQOS-DCAQKATOSA-N	243.351	-0.049	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)[C@H](C2CC2)C1	2298368543	KVEVQGPMWJARFW-AXTSPUMRSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2OCC[C@@H]2C1	2298369100	IZEKEENCEAHJLY-UTINFBMNSA-N	239.080	-0.513	50	10	BBGE	
N#CC1(F)CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2301430037	GCZAKSFFERCSAP-DTWKUNHWSA-N	240.282	-0.060	50	10	BBGE	
NC[C@]12C[C@H](CCN1C(=O)[C@@H]1C[C@H]1B(O)O)C2	2302201678	PAAUQPCLQMCGTK-CDLYGTGVSA-N	238.096	-0.811	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)CCCC(=O)O)C1	2303103423	FBTQRTHZAYEUFN-JTQLQIEISA-N	243.068	-0.293	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC[C@@H]2COCCO2)C1	2303158353	LVJKWNSKGHOEQT-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cnoc1	2317152058	XVBXRNFVPRQSSL-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cc2C#N)CCNC1	2317206189	MCIQSACZBIRBAN-LBPRGKRZSA-N	246.075	-0.631	50	10	BBGE	
OB(O)c1cccnc1N1CCN[C@H]2CCC[C@H]21	2319236389	BJNFSYUXCLSXJY-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1O[C@H]2CC[C@H]1C2	2327634250	NSJMMOHVQZMJOP-ATZCPNFKSA-N	249.075	-0.292	50	10	BBGE	
NNC(=O)c1cccc(-c2nnn[nH]2)c1	37388506	TVSYEZIXGSKLBM-UHFFFAOYSA-N	204.193	-0.530	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1[C@@H](C)N	63194712	SNLHDWBVMBAYND-SCZZXKLOSA-N	242.323	-0.645	50	10	BBGE	
COC[C@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	81121065	MKVJSDFMRJEVNS-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](CN(C)CCN1CCCC1)C(=O)NN	82469065	POEMEPODIZXXGF-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1CCOCC1	82545684	AFSYQNMTSNCKLR-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@](O)(CO)CNS(=O)(=O)CCCCl	85249983	XINMFXJERKDPBK-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
O=C1C[C@@]2(CCCS(=O)(=O)C2)C(=O)O1	111859875	RWUUEGOITRJUND-MRVPVSSYSA-N	218.230	-0.345	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@@H]1COC[C@H]1C(=O)O	149060289	GWEJJCNORSQJNV-HTQZYQBOSA-N	245.279	-0.406	50	10	BBGE	
O=C1CCC(=O)N1C[C@H](O)CBr	156249478	RPKNIGCJNUOVHT-RXMQYKEDSA-N	236.065	-0.109	50	10	BBGE	
COc1ccc(B(O)O)n2nc(C3CC3)nc12	200085681	ZHFCJWBHHGGVQG-UHFFFAOYSA-N	233.036	-0.705	50	10	BBGE	
CCC1(CC)C[C@@H](NC(=O)C(=O)NN)CCO1	215408077	FMKKZZKETXPRLL-QMMMGPOBSA-N	243.307	-0.170	50	10	BBGE	
O=C=Nc1nonc1CCN1CCOCC1	215476898	FMAGTCXIPITJMO-UHFFFAOYSA-N	224.220	-0.088	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NC[C@@H]1CCCO1	216938663	KDZYFIMYCXEMEC-RNKPRXRFSA-N	239.275	-0.729	50	10	BBGE	
O=c1ccc(NS(=O)(=O)CCCl)n[nH]1	232301622	FIBOWHWYLXYDHN-UHFFFAOYSA-N	237.668	-0.250	50	10	BBGE	
COC[C@H](C)O[C@@H](COC)C(=O)NN	232418418	UOTGZKWSXCNENR-BQBZGAKWSA-N	206.242	-0.957	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C(C)C	232419215	GRBSCVGYHPOWJL-IUCAKERBSA-N	217.313	-0.032	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nnc2ccccc21	232420996	PNMGONXUZVFOST-VIFPVBQESA-N	235.247	-0.391	50	10	BBGE	
OB(O)c1ccccc1-c1ncccn1	238628802	OELQPECOAYUFEA-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCN1CCN(CCC(=O)NN)C[C@H]1C	250316470	MOCMUGROWVBSFN-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	251322143	MBJDWWRZXRQUPB-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NN)CC[C@H]1C	299981823	IYDBXXCRFMBVAW-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@@H]1O	300021399	UMGQFWOVUDVBKD-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
COc1cc(B(O)O)c(F)cc1[C@@H](C)CO	309152261	YCVZUGVRXWLKSA-LURJTMIESA-N	228.028	-0.390	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)C1(C)C	379980143	RZKYAPMXTHOITG-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
CN(C)C1CN(C[C@H](O)CBr)C1	382702302	CUFGDGHMTAUNJB-MRVPVSSYSA-N	237.141	-0.012	50	10	BBGE	
OC[C@H]1CSCCN1C[C@@H](O)CCl	388003090	GJERZJBNUPUUOT-YUMQZZPRSA-N	225.741	-0.004	50	10	BBGE	
COC(=O)Cc1ccc(B(O)O)cc1CCC#N	396037176	DLTJNDOAFSWBJK-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCC(=O)NN)CO1	401367510	BAQMDGWKSXHBJM-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401617809	OIYJXJPAOXCOKW-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
Cc1ccc(B(O)O)cc1NS(C)(=O)=O	404867416	BSDXSKTYGNIDSN-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CCCO1	404903588	ATHZGARRMRKKII-SNVBAGLBSA-N	235.048	-0.516	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)Nc2ccc(B(O)O)cc2)CO1	405025492	KITSZVQYNJISTM-BDAKNGLRSA-N	249.075	-0.270	50	10	BBGE	
C=CC[S@](=O)CC(=O)NNC(C)=O	526865062	LBYAXTYEDSMHJP-ZDUSSCGKSA-N	204.251	-0.912	50	10	BBGE	
CC(C)c1nnc2ccc(B(O)O)cn12	584883057	FVVVGDPPRLXYKX-UHFFFAOYSA-N	205.026	-0.468	50	10	BBGE	
CCOC(=O)[C@@H]1NN[C@@H](Br)N1	585662181	LEKXBTQYJXMYJO-UCORVYFPSA-N	224.058	-0.749	50	10	BBGE	
C[C@@H](CO)CN(C)[C@H](C)CCC(=O)NN	688396394	XUXOIAYEVVGCOM-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1[C@H](C)CC(=O)NN	688752959	GGOXJGNJNWILAJ-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](CO)C(C)(C)C	689782692	CKVPVLQHMNPKGW-IUCAKERBSA-N	247.339	-0.670	50	10	BBGE	
NNC(=O)CCCN1CCSC[C@@H]1CCO	689851241	QJMLMRAOQZLWAD-VIFPVBQESA-N	247.364	-0.444	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(N)CC2)CC1	692114935	UUOVNWKQIBRHOH-UHFFFAOYSA-N	209.249	-0.645	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@H]1C	706813213	BKCMWAJOXYPXLD-SECBINFHSA-N	235.092	-0.031	50	10	BBGE	
C[C@@H](CN1CCOCC12CCC2)C(=O)NN	707235602	GDZJFRTVJLIIFI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708079224	DXDCIZSLWIVNDK-UTLUCORTSA-N	229.324	-0.439	50	10	BBGE	
C[C@H]1CN(Cc2nsc(C(=O)NN)n2)[C@H]1C	724321931	CYWWZWWOUGBACE-WDSKDSINSA-N	241.320	-0.018	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCOC[C@H]1O	725628028	BEYCIJVBQDKQGB-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)[C@@H]1COCCO1)C1CC1	747878093	ANWMLZSETZENRM-APPZFPTMSA-N	242.275	-0.405	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@H]1CCCO1	755662171	YLFYHBKBTYNCTC-SSDOTTSWSA-N	231.252	-0.858	50	10	BBGE	
CCCN1CCC[C@@H]1C(=O)NN(C)C(N)=O	778414428	BVZHGZUHCSYHRL-MRVPVSSYSA-N	228.296	-0.098	50	10	BBGE	
Cc1ncsc1C(=O)NNC(=O)[C@H](C)O	786902943	OWUCBTXCTZPUSP-YFKPBYRVSA-N	229.261	-0.407	50	10	BBGE	
O=C(NN=C[C@@H]1CCCOC1)[C@H]1COCCO1	814860179	CRDKTALFZYPVKD-VHSXEESVSA-N	242.275	-0.070	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C[C@H]2C=CCC2)nn1	855183945	KOKKLKZFKAPRMC-QMMMGPOBSA-N	249.274	-0.068	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	858369453	VIKLTFFCIWHJNF-VGMNWLOBSA-N	239.275	-0.094	50	10	BBGE	
COCCCC=NNC(=O)CS(C)(=O)=O	863186543	BDSZCNPKJYLJMR-UHFFFAOYSA-N	236.293	-0.440	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNC(=O)C1CCCC1	900173861	CXPZUZNYACGPGE-MRVPVSSYSA-N	244.291	-0.544	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@H]1C[C@H](C)CO1	910001177	OACDJFZVWSJMRX-NKWVEPMBSA-N	231.321	-0.121	50	10	BBGE	
C/C(C#N)=C\Cn1nnc2c(cnn2C)c1=O	1165841647	PGQZMFGMYLERHQ-XVNBXDOJSA-N	230.231	-0.005	50	10	BBGE	
O=C(NNC(=O)c1cnncc1O)c1ccc[nH]1	1290261957	PLYTYCSTGZVLMU-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
COC(=O)C(=O)NN=C(C)[C@@H]1COCCO1	1340357085	REGFQOXENAVKTC-ZETCQYMHSA-N	230.220	-0.933	50	10	BBGE	
Cn1c(C(=O)NNc2nc[nH]n2)cnc1O	1457838178	SOBCSNCOIUYZGS-UHFFFAOYSA-N	223.196	-0.999	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1	1467368652	ROYZMXJVDCZUSP-QMMMGPOBSA-N	217.033	-0.882	50	10	BBGE	
CC(=O)NNC(=O)COCc1ccnc(O)c1	1628978354	AHPVBJNYVMZNOK-UHFFFAOYSA-N	239.231	-0.529	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2cnccc2c1	1648685929	HVFYXWZQPFZUQH-UHFFFAOYSA-N	245.238	-0.012	50	10	BBGE	
Cc1cc(C(=O)NNc2nc[nH]n2)cnn1	1648831324	DKEWNIARLVUKQB-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
NC[C@H]1C[C@H]1NC(=O)C=CC(=O)Cl	1883626823	LQBKKDLSDVHMGF-PHDIDXHHSA-N	202.641	-0.229	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H]1[C@H]2CO	1884047608	FDMGJXDPVJJNEP-VQVTYTSYSA-N	225.697	-0.175	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSC1	1892080801	KVEZRLLVSISUJZ-RNFRBKRXSA-N	201.295	-0.381	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCCC[C@@H]1C2	1897283045	DXKDCXZKLGDVSK-MWLCHTKSSA-N	221.065	-0.302	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@H]2[C@@H]1CO)C(=O)NN	1897338223	DFBXSMWTBVAMCK-CIUDSAMLSA-N	227.308	-0.685	50	10	BBGE	
C=CC(=O)N1CCc2scc(B(O)O)c2C1	1900054418	SGBAMJYNFCPQAE-UHFFFAOYSA-N	237.089	-0.501	50	10	BBGE	
C[C@H]1CCC(=O)N(C[C@@H](C)C(=O)NN)C1	1912262571	ZXOFVGOPOQLSPI-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)C(F)(F)F)C1	1923407632	ZWJUOQBIBYRTHY-RXMQYKEDSA-N	239.197	-0.352	50	10	BBGE	
N#Cc1nccn1CC(F)(F)C(=O)NN	1927816911	UIJOTOZXAAWAIX-UHFFFAOYSA-N	215.163	-0.620	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCCOCC1	1928158019	YVXADJSFJJDSQD-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H]1CCN(CCOCC(=O)NN)C1	1928179277	OHFNJOYZNRDAID-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
COC[C@H](CCl)NC(=O)Cn1cnnc1	1928689745	ACRMIODSOWFKDZ-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
CC[C@@H](Cl)CNC(=O)Cn1cnnn1	1928695582	DMZHHVSFWWJYJT-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1[C@H]2NCCO[C@@H]21	1929944018	ARFWYGISSAMHSY-FSDSQADBSA-N	239.102	-0.107	50	10	BBGE	
CN(C)CCN(CCO)C[C@H](Cl)C#N	1934407016	OHWYHMGIWFISKS-SECBINFHSA-N	219.716	-0.027	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	1936090139	XXCFIKBOIYIMOS-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@]1(CCl)CCOC1	1937159767	MAKQZTQTOKHHEG-MRVPVSSYSA-N	245.670	-0.813	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)CC(N)=O	1938355562	BALWCTGCUFPZDG-FXQIFTODSA-N	230.312	-0.803	50	10	BBGE	
O=C1CN([C@H]2C[C@@H]3COC[C@@H]3C2)CC(=O)O1	1939481155	KZJLZLPSDJYMMV-BRPSZJMVSA-N	225.244	-0.203	50	10	BBGE	
C[C@]1(CO)CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941086081	GZNZBEINLOABLT-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)C[C@@H](C)O1	1941780812	UJFUQUNJJKWMKW-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCCC[C@H]21	1943000275	NRCSLYVPTANCIW-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
CO[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NN)C[C@H]21	1945669653	WAOLSIZQHLBJOO-IWSPIJDZSA-N	241.291	-0.750	50	10	BBGE	
C[C@H]1CCCN(CC2(C(=O)NN)CC2)[C@H]1CO	1945884254	NHXMMZBIOZYICY-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnn(C)c1C	1947410894	HIDDTJRMWCXSQK-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](CF)C1	1956917033	DHTQJPCLAIKMFY-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](N2CC(O)C2)C1	1958216280	ANUPFAFWDNKLRP-YUMQZZPRSA-N	232.711	-0.109	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)C1CC(C)(C)C1	1959152376	ZTXGCPOLUVIOTD-LURJTMIESA-N	213.281	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	1960970125	VRSCQURSVFQANG-IWSPIJDZSA-N	212.297	-0.857	50	10	BBGE	
CCCN(C)c1ncnc(C)c1B(O)O	1961706646	XWNOJWKCEXBQHF-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
Cn1nccc1S(=O)(=O)NCC#CCCl	1974771471	WNZXMNBGEXLXMJ-UHFFFAOYSA-N	247.707	-0.059	50	10	BBGE	
Cc1nc(O[C@H](C)C(C)C)ncc1B(O)O	1981420893	RTRNCWSPDFEFHK-MRVPVSSYSA-N	224.069	-0.112	50	10	BBGE	
C[C@@H](Cn1cnc(C(F)(F)F)n1)C(=O)NN	1984597587	RNTBRZLZKJMDJS-BYPYZUCNSA-N	237.185	-0.077	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1[C@@H](C)CC(=O)NN	1985716269	QVMICFWPGBUIEX-ATZCPNFKSA-N	229.324	-0.154	50	10	BBGE	
CCOC(=O)N[C@H](C)c1nscc1B(O)O	1987175626	QMYDKSQGFUFCCN-RXMQYKEDSA-N	244.081	-0.370	50	10	BBGE	
COCC(CCO[C@@H](C)C(=O)NN)COC	1987521452	CMTRCAQHDMSGFN-QMMMGPOBSA-N	234.296	-0.320	50	10	BBGE	
CC1CC(CS(=O)(=O)NCC=CB(O)O)C1	1991346078	SGMMANSHUBDOGU-UHFFFAOYSA-N	247.125	-0.480	50	10	BBGE	
CO[C@H]1CN(C)C[C@H]1NC(=O)C=CC(=O)Cl	1991647389	CVFMGLZGBOBSEA-SFYZADRCSA-N	246.694	-0.247	50	10	BBGE	
NC[C@@H]1C[C@H](CNC(=O)/C=C/C(=O)Cl)CO1	1991707338	ZGHJLRURPDIZET-FLPBZWPXSA-N	246.694	-0.212	50	10	BBGE	
Cn1ncc(CNC(=O)/C=C/C(=O)Cl)c1N	1991713908	YVKHPXWFKYJJQU-NSCUHMNNSA-N	242.666	-0.060	50	10	BBGE	
C[C@H](CN)SCC12CC(C(=O)NN)(CO1)C2	1993884298	RWTRDDWREUWKSS-CUUXFQNZSA-N	245.348	-0.394	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1[C@H]2CCC[C@H]21	1998125247	GZBDPJPPZLTRJR-FKSUSPILSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@H](C1)C2O	2002478088	QZYSNGKKKCVZHG-DHHPTOIESA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCn1cncn1	2003835587	SHOJZDGHJIWBJQ-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
OB(O)c1cncnc1N1CCCC2(CC2)C1	2004917692	XVSBPJCYFHDRFC-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CCCCC1	2004921435	VZUKCSMZXXDAQJ-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H]2F)ccc1B(O)O	2006989346	SBZLTNRGNCOJDC-WCBMZHEXSA-N	237.039	-0.029	50	10	BBGE	
N#Cc1ncn(C[C@@H]2CC[C@@H](C(=O)NN)C2)n1	2010832918	MLDZBGRONYSMKJ-HTQZYQBOSA-N	234.263	-0.444	50	10	BBGE	
CC(C)C(=O)N1CCN(CCC(=O)NN)CC1	2011419239	CLOKXLQRPAMYAW-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1COC2CC1C2	2011813958	XPYTZGJWOIMAJQ-RTBKNWGFSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](C2(O)CC2)C1	2013929270	RTXLWKFGDJEQPT-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H]2COC[C@H]21	2017525360	PXTKIPNAPAXEEQ-QEYWKRMJSA-N	243.307	-0.900	50	10	BBGE	
CC[C@]1(C)CN(CC(=O)NNC(C)=O)CCO1	2019207641	CKRHECCIBGJTOY-LLVKDONJSA-N	243.307	-0.345	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OCC[C@@H]1C	2019219489	NNJBEAGBZQXAKS-IUCAKERBSA-N	243.307	-0.347	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)nc1C	2021165544	XQVUEURQHHRWNT-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1COc1ncc(B(O)O)cn1	2022578435	FVTISXSWGPCGEV-PSASIEDQSA-N	236.080	-0.173	50	10	BBGE	
C[C@@H](CN(C)C)OCc1ccc(B(O)O)cc1	2022708170	DYACFTOVILULOS-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC12CCC2	2032141628	LARNCQFZQVUCCN-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCC[C@H]2C3)c1B(O)O	2052551230	CIIOGNKCUUAJRZ-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]2C2CC2)n1	2052619216	CDZJEAVZCJKZBT-NSHDSACASA-N	247.107	-0.156	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCCc1ccccc1B(O)O	2067550615	JOVZRBAMWBNYBW-GXSJLCMTSA-N	247.103	-0.319	50	10	BBGE	
COCc1nc(=NOCCCl)n(C)[nH]1	2209860894	KCLJSAADWFKYAT-UHFFFAOYSA-N	220.660	-0.034	50	10	BBGE	
CN(C)C(=O)CSCC1(C(=O)NN)CCC1	2212247555	DXQVXMGIGLEZNP-UHFFFAOYSA-N	245.348	-0.032	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCCC[C@H]21	2212677066	GDIJXWRFENKEDD-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2213027308	NHNOZTHSHZXFBC-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H](O)[C@H](F)C1	2215771034	FTCRQBFPOPLSJP-ZYUZMQFOSA-N	245.298	-0.593	50	10	BBGE	
C=CCC1(Oc2ccc(B(O)O)cn2)CNC1	2217172878	LZBVNCGGMCYCFT-UHFFFAOYSA-N	234.064	-0.942	50	10	BBGE	
C[C@]1(C#N)CCN(c2ncccc2B(O)O)C1	2217177223	GZHQBYGVNDXFEN-LLVKDONJSA-N	231.064	-0.499	50	10	BBGE	
Cc1cnc(NCC(C)(C)CN)cc1B(O)O	2217179035	FLAUVAQLVIQKLM-UHFFFAOYSA-N	237.112	-0.533	50	10	BBGE	
C[C@H]1CCO[C@H]1CNc1ncccc1B(O)O	2217184026	PVHMMGOPNUBMDQ-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(OCc2cccnc2)nc1	2217185767	BCJRWRJUDXZKKM-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
Cc1cnc(OC[C@H]2CCOC2)cc1B(O)O	2217190069	KUZSOLNEXABAPG-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
CC[C@H](Oc1ncc(B(O)O)cn1)[C@H](N)CC	2217190381	CUKCBBIBXPKFHS-BDAKNGLRSA-N	239.084	-0.949	50	10	BBGE	
CCCCNCCOc1cc(B(O)O)ccn1	2217194893	YFTOWOHSSOUXFR-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
CC(C)CN(CCN)c1cc(B(O)O)ccn1	2217197552	NRWOYZUWQIGLTI-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
OB(O)c1ccc(=NCC2CC(F)(F)C2)[nH]c1	2217200217	IRWFLGOBACKOBR-UHFFFAOYSA-N	242.034	-0.360	50	10	BBGE	
C[C@]1(CO)CCCN1Cc1cccc(B(O)O)c1	2220072285	ZVZYMGXKVVFQDD-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]2C2(O)CC2)c1	2223625852	FXMNWOLHSMUSCB-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]2C2(O)CC2)c1	2223625858	FXMNWOLHSMUSCB-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cncn1C	2223678564	DIGXSDNJCBHYJW-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
C[S@@](=O)CCN1CCC(B(O)O)CC1	2241742086	VIBDUZNQNBBDHL-CQSZACIVSA-N	219.115	-0.696	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCC[C@H]1F	2243362711	VIIFYDLSMNPVDX-RKDXNWHRSA-N	227.044	-0.259	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)sn1	2243378618	WOJRXOLCUAECKX-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
N[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383209	VSMCRSYSTAMLNL-UYXSQOIJSA-N	226.085	-0.765	50	10	BBGE	
CCC[C@H](CN)NC(=O)C1CC(B(O)O)C1	2243390707	ABBAQWHNWVQOED-AMDVSUOASA-N	228.101	-0.517	50	10	BBGE	
O=C(N[C@@H]1C(F)(F)C12CC2)[C@H]1C[C@@H]1B(O)O	2243397296	YMZVJKGVFZFEAM-VPLCAKHXSA-N	231.007	-0.237	50	10	BBGE	
CC[C@@]1(NC(=O)C2(B(O)O)CC2)CCNC1	2243398685	SHHICDQXMLQFRJ-SECBINFHSA-N	226.085	-0.748	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H](C)C1CC1)B(O)O	2243411803	ALOUGFJRHUSSMQ-MRVPVSSYSA-N	247.125	-0.385	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@]12CCOC2	2243426039	DEJYKYDGYSYSJP-WEDXCCLWSA-N	225.053	-0.759	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)C1(B(O)O)CC1	2245062305	YQNLEFWVQAFCHR-XWEPSHTISA-N	225.053	-0.711	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC2(C)C)n1	2247233104	LYIPWMQEEUHFMX-MRVPVSSYSA-N	237.064	-0.053	50	10	BBGE	
CC[C@H](OCCN1CCN(C)CC1)C(=O)NN	2247690151	NNJOISKYTSDPRJ-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C1CCC1	2247731984	BOIIUVIIVZNULW-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(NC(=O)c2coc(B(O)O)c2)C=CCC1	2247732830	JWKYHUFOOHQCCO-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](OC(F)F)C1	2247742391	ODOLVVMBQTUXNB-ZETCQYMHSA-N	247.006	-0.768	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@H]2CCCCC[C@H]21	2247747404	NBRSPPRBELTOJW-DTWKUNHWSA-N	235.048	-0.681	50	10	BBGE	
CCC(CC)NC(=O)c1c(B(O)O)cnn1C	2247748562	GCOSLIACJJBJLB-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CCN[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247750873	PENCRPXYOZNKDR-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
Cn1cccc(NC(=O)C2(B(O)O)CC2)c1=O	2247753959	BHQZIUJRKCMEFA-UHFFFAOYSA-N	236.036	-0.669	50	10	BBGE	
CC(C)C[C@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2247756461	NDSVUCCPCJVDAR-ZETCQYMHSA-N	242.084	-0.990	50	10	BBGE	
Cc1ccc(C(=O)N2CCCN2)c(B(O)O)c1	2247762113	ZRZUTRNXTLWSEW-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CC[C@H](O)CCCNC(=O)C1CC(B(O)O)C1	2247797089	GBKJOUJQQFJNCJ-RTBKNWGFSA-N	243.112	-0.093	50	10	BBGE	
CC[C@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247797520	KKIZUBNACROJSD-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797745	MNHVEOFMXZTPAR-AATLWQCWSA-N	240.112	-0.422	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247805776	LANGQYLIASFUKG-HORUIINNSA-N	240.112	-0.375	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1nccn1C	2247806851	GOLKEDYGBLEDCN-RNJXMRFFSA-N	237.068	-0.540	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247809640	QJGXRJIIWUYDSM-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247809830	ROALFOVKASTVRV-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccc(O)cc1	2247846407	GHEWTXJSBKNGSK-MRVPVSSYSA-N	233.032	-0.415	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCCCC1	2247850576	PZPTXFOIMVWRPQ-UHFFFAOYSA-N	236.080	-0.289	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@@H](C)CN1C	2247855545	UKTMPUDNBQZNDS-IUCAKERBSA-N	240.112	-0.456	50	10	BBGE	
CCC1(N)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247860178	STFYXEAMWCIHBY-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C=CCN(CC=C)C(=O)c1ccoc1B(O)O	2247867108	YTCQDGRJUMRWON-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
C#CC1(CNC(=O)c2sccc2B(O)O)CC1	2247868124	CQUBNNLPRKVENI-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccc(B(O)O)cn1	2247868550	HABRXWBKVQKMMM-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCOC1	2247894984	MWTKXECAIYLQIT-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247897014	MYHIMPAOKRKCFL-LPEHRKFASA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)O1	2247897268	PYHQCDPEVZYQNU-VFCFLDTKSA-N	241.096	-0.126	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2247899192	LFTOANNCHKNZBN-QQGCVABSSA-N	245.034	-0.181	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](F)[C@H](CO)C1	2247908968	CNCXUQHYGDZECR-GPCQJSLASA-N	245.059	-0.972	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2248586510	BUQFPEXCQOOTBJ-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2249419314	FVFZNZQZUSWPSV-SNVBAGLBSA-N	233.032	-0.899	50	10	BBGE	
CCC(CC)ONC(=O)c1ccoc1B(O)O	2250169516	OBYPRYKUVCLWLY-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)C1CC(B(O)O)C1	2251073331	HKTSVSPYTGXENR-UHFFFAOYSA-N	242.128	-0.304	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1cc(B(O)O)n[nH]1	2255554648	PAKUNXRGCYVQAT-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)N[C@@H]2C=CCC2)n1	2255576123	ATJSASCWTAGBRS-MRVPVSSYSA-N	249.079	-0.969	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCCCCC1	2255711435	ZHBZORCGUYQNLC-UHFFFAOYSA-N	248.091	-0.222	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC[C@@H](C)C#N	2255721114	YMNBQZUHDUBRMI-QMMMGPOBSA-N	249.079	-0.923	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(C)c(B(O)O)c1	2255735778	AEZQQNZJIHZWEA-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
CC1(CCNC(=O)c2nccnc2B(O)O)CC1	2256063390	VGVPEVKYSJCGME-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300193822	YOMUFZZBTKWLCZ-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2302523034	TYMGXMGBRHTUNS-GUBZILKMSA-N	243.112	-0.285	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@]12C[C@H](CCO1)C2	2303104408	KCOCUUHXZOJCHO-KKZNHRDASA-N	239.080	-0.369	50	10	BBGE	
OC[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312613488	IMWXDDVHEZVWQA-QCNRFFRDSA-N	248.091	-0.810	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C=CCNC1	2317152112	YKLQSSTWYMBERK-NSHDSACASA-N	243.075	-0.822	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCC1COC1	2317160244	BIDLHRVGFUDEAF-UHFFFAOYSA-N	246.075	-0.314	50	10	BBGE	
O=C(O)/C=C/C(=O)NNC(=O)[C@@H]1CC12CCC2	34132247	KDZSFSOTBYQCCC-AIYRYJHASA-N	238.243	-0.035	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC(=O)NC1CC1	36782747	CHOPPHIIZNHROK-RXMQYKEDSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)CCNCCN1CCCCC1	58840696	TZLGCAMASYCGNJ-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@H]1CN	70178207	LTPHVIFUDKXQCN-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
CCOCCOCc1cc(C(=O)NN)no1	82463449	RKGUIPCBLHJNCO-UHFFFAOYSA-N	229.236	-0.169	50	10	BBGE	
CN(CCC(=O)NN)CCc1ccncc1	82468113	FQCNBKILSADAKN-UHFFFAOYSA-N	222.292	-0.064	50	10	BBGE	
C[C@H](CN1CCC[C@H](N)C1)C(=O)NN	82470178	YHXMAMICSUVDGG-SFYZADRCSA-N	200.286	-0.965	50	10	BBGE	
NNC(=O)CCCCSC[C@H](O)CO	86661867	OACBHHHODJCBPZ-SSDOTTSWSA-N	222.310	-0.767	50	10	BBGE	
O=CC1=C2NCCCN2C(=O)[C@@H]1CC(=O)O	107043770	PISNJCASPQCAST-ZCFIWIBFSA-N	224.216	-0.677	50	10	BBGE	
O=C(O)[C@@H](O)CI	114120366	XVLHPLXWCJMGOQ-REOHCLBHSA-N	215.974	-0.133	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)CS(C)(=O)=O	137081077	CSFIHYWXGBMRFK-LURJTMIESA-N	243.712	-0.599	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cnc(C#N)c1C#N	156312274	XIEHSVWBUNDWBN-BQBZGAKWSA-N	232.247	-0.187	50	10	BBGE	
N[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H]1B(O)O	196374100	SMODZDWDAYGSIG-OPRDCNLKSA-N	238.096	-0.717	50	10	BBGE	
NCCCC[C@@](N)(CCCCB(O)O)C(=O)O	198057241	GCAVXIHTMKPSAN-JTQLQIEISA-N	246.116	-0.459	50	10	BBGE	
OB(O)c1cncc(O[C@H]2CCCOC2)c1	224915605	SDDYUQSBQVOXHV-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
CN(CCO)Cc1cccc(C(=O)NN)n1	234295700	RKQPZENSIXFAPT-UHFFFAOYSA-N	224.264	-0.891	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)OCC	236894640	UAUGNXQFHIVLRD-LURJTMIESA-N	203.242	-0.109	50	10	BBGE	
CC(=O)OC(=O)N[C@@H]1CC(=O)OC1=O	238130704	JGZHAURHZWQJIY-SCSAIBSYSA-N	201.134	-0.899	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252894412	ZEPOLFDJZHVODB-XWLWVQCSSA-N	241.335	-0.296	50	10	BBGE	
CN1CCC[C@H]([C@@H](N)CC(=O)N(C)N)C1	258962800	CFSNJRRYEJLPRT-IUCAKERBSA-N	214.313	-0.622	50	10	BBGE	
CC(C)N(CCOCCO)CCC(=O)NN	304312134	KLYFNTIYWJMNOK-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@@H](CO)C1	307087793	LPKHSIQPQZBILE-VGMNWLOBSA-N	218.684	-0.208	50	10	BBGE	
C[C@H](O)CN(CCO)CCOCCCl	379564653	BBKNBSDXYZYBEC-VIFPVBQESA-N	225.716	-0.083	50	10	BBGE	
COc1cc(C)ccc1NC(=O)C(=O)NN	384016507	YVAADWGCMQGNEA-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
CN(C)C1[C@H]2CN(C(=O)NC(=O)CCl)C[C@H]12	384948937	VDJJEOSTYPJZLJ-BQBZGAKWSA-N	245.710	-0.047	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSCC[C@H]1C	385753186	PNLMYLXACNTEMB-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CSCC(=O)NNC(=O)[C@H](C)C#N	393549403	UCIMFKBDMNQQIN-RXMQYKEDSA-N	201.251	-0.344	50	10	BBGE	
Nc1cc(B(O)O)cc2c(CO)csc12	396253869	SKCGIVFJCIXTOB-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H](COc1cncc(B(O)O)c1)OC	396974503	IXGNZJMSSJMUPQ-SECBINFHSA-N	225.053	-0.435	50	10	BBGE	
O=C1C[C@H](CNS(=O)(=O)CCCl)CN1	398309313	ROEXMOLEANHMEH-LURJTMIESA-N	240.712	-0.719	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnc(B(O)O)c2)no1	405067052	WISATTOGPIWFTB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN1C[C@@H](CNC(=O)CCl)CC1=O	687824583	XADFUAGMSCOVFP-ZCFIWIBFSA-N	204.657	-0.180	50	10	BBGE	
CC(C)N(CCC(=O)NN)CCN(C)C	688926432	KDLYMXPMCFTYDZ-UHFFFAOYSA-N	216.329	-0.362	50	10	BBGE	
CC(C)(C)CN(CCO)CC(=O)NN	689943871	DPORYGUXUKQUEE-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
COCC1(CN2CC(=O)OC(=O)C2)CC1	691820134	FZZJDVROUBCFGS-UHFFFAOYSA-N	213.233	-0.202	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	693400048	UTMCPKJAVUGZPI-FPFOFBBKSA-N	233.218	-0.616	50	10	BBGE	
NNC(=O)C(=O)NCCSCC(F)(F)F	698606338	FSZQYEWXYSPDCA-UHFFFAOYSA-N	245.226	-0.612	50	10	BBGE	
CNNC(=O)[C@H]1CCCN1c1ncccn1	704665212	LDJYTXJMUZTYTL-MRVPVSSYSA-N	221.264	-0.304	50	10	BBGE	
C=CCNC(=O)N1CCc2cc(B(O)O)ccc21	712146468	NBXOWIDLXUWPQY-UHFFFAOYSA-N	246.075	-0.376	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2OCC[C@@H]2C1	724821245	GQLIBXLZYZTRAH-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CCC/C=C\C(=O)NNC(=O)[C@H]1COCCO1	744640833	DPGBZLYDQDXZLR-XRVBUDJMSA-N	242.275	-0.095	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCC1)c1ccc[nH]1	823937749	ICMFVGZTSGJLTL-VIFPVBQESA-N	237.259	-0.063	50	10	BBGE	
CCC(F)(F)C(=O)NNC(=O)c1cnn[nH]1	826584013	OTXZPNQEOWJFPE-UHFFFAOYSA-N	233.178	-0.389	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(COC)CCOC1	848378014	GWLUSJXBXWZDIJ-NSHDSACASA-N	246.307	-0.351	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CC3(CC3)C2)nn1	855184225	VHWADHIXRAQNGG-UHFFFAOYSA-N	249.274	-0.234	50	10	BBGE	
CNC(=O)NNC(=O)/C(C#N)=C\c1cnn(C)c1	1292010354	JXMRCKMCXGEBCH-BAQGIRSFSA-N	248.246	-0.713	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnco2)nc1O	1306238519	WJWYIKGORWCHIU-UHFFFAOYSA-N	236.191	-0.369	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(OC)nn1	1464434016	SNNVSWZRBYMMSD-UHFFFAOYSA-N	225.208	-0.941	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)NC	1625508189	WXBIXZGFQZNYRB-ZCFIWIBFSA-N	200.242	-0.959	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCNC(=O)CC1	1637412750	XMSCCMPCQSYOQB-BDAKNGLRSA-N	243.307	-0.754	50	10	BBGE	
CCOCC(=O)NNC(=O)c1ccnnc1	1638269716	IILYXYXJQYOMQB-UHFFFAOYSA-N	224.220	-0.726	50	10	BBGE	
NC[C@H](CO)NC(=O)[C@H]1C[C@H]1Br	1881353635	KRPMBDPVRYNELY-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC1CC(Cl)C1	1881718676	JAPMNLIQARDPSC-UHFFFAOYSA-N	201.661	-0.169	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2Cl)CC(=O)O1	1883549569	BFEYGFJWKAYXPM-WDSKDSINSA-N	203.625	-0.001	50	10	BBGE	
NC(=O)C1(OC[C@@H]2C[C@H]2Cl)CNC1	1883551703	KLFPEHWONOJXTE-NTSWFWBYSA-N	204.657	-0.542	50	10	BBGE	
N[C@H](CC(=O)NC1CC(Cl)C1)C(=O)O	1884411573	FGWSIHHQALQWIW-JMMWHDCWSA-N	220.656	-0.326	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1CO	1886212182	XPMUZXWJMZILFD-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC([C@@H](O)CO)C1	1887281291	NXXNJDXZUDLYRD-XPUUQOCRSA-N	221.684	-0.185	50	10	BBGE	
CN1C(=O)C[C@H](NC[C@@H]2C[C@H]2Cl)C1=O	1893127861	KPEAJBNKSBPPCH-XVMARJQXSA-N	216.668	-0.039	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N(CCO)CCCO	1893446993	TYFJJQCMFIDVMW-JGVFFNPUSA-N	221.684	-0.183	50	10	BBGE	
C=C(CN=[S@](C)(=O)CCOC)B(O)O	1895191642	RDFYBPJLJOQJCA-CQSZACIVSA-N	221.087	-0.701	50	10	BBGE	
CC=CCCNC(=O)c1cnsc1B(O)O	1900466556	HVMVUQZKNKTGBF-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
NNC(=O)CCCCCCN1CC(CO)C1	1900665559	XCONGJNXROIPQW-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@]1(C)CCN1	1901377810	SWOIEGXVILQZNU-SECBINFHSA-N	249.336	-0.560	50	10	BBGE	
OB(O)c1csc(CN(C2CC2)C2CC2)n1	1902638018	UJNNQWBUQVAEDQ-UHFFFAOYSA-N	238.121	-0.050	50	10	BBGE	
N#C[C@H](Cl)CN1C(=O)C(=O)N[C@@H]2CCC[C@H]21	1902735626	ZBFYAMZFJCQYMI-XLPZGREQSA-N	241.678	-0.003	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCOC[C@@H]21)C(=O)NN	1908329644	TZPKOACCQHNLSI-YTWAJWBKSA-N	241.335	-0.173	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C[C@@H]1F	1908715663	OOTGZJSAVSKDJQ-XFWSIPNHSA-N	245.298	-0.186	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1ncccc1B(O)O	1913605399	GBOROJQKVRURHM-CPCISQLKSA-N	234.064	-0.254	50	10	BBGE	
CC[S@@](C)(=O)=N[C@H](COC)C(=O)NN	1913889109	UOGBPZKMKQYIQK-RWBAJPLHSA-N	223.298	-0.891	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@](F)(CO)C1	1917101556	WJOSFHJKRQSDSC-NQMVMOMDSA-N	231.271	-0.981	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154508	GQTDPNKJIUUITQ-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@@]1(C)C[C@@H](N)CCO1	1929653155	HGFRRPJRFBPRLE-IONNQARKSA-N	201.270	-0.524	50	10	BBGE	
O=S1(=O)CC[C@@H](CN2CC[C@@H]2CCl)N1	1929727924	UXXIMKRHCCJSRA-JGVFFNPUSA-N	238.740	-0.009	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNCCO	1929835754	XMLDBKUQRWCRMQ-JGVFFNPUSA-N	202.254	-0.728	50	10	BBGE	
CN1CCC(C)(C(=O)NNCCO)CC1	1929837984	HOWQSFSECUFTSX-UHFFFAOYSA-N	215.297	-0.669	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2OCCO[C@@H]2C1	1930246474	CTKONOBGXNDMKZ-KNVOCYPGSA-N	241.696	-0.388	50	10	BBGE	
O=S(=O)(N1CC(O)C1)N1CC[C@@H](Cl)C1	1934092302	NLNGJHOWNUBEEY-ZCFIWIBFSA-N	240.712	-0.779	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCSC1=O	1936090105	HHEJAPSXMUEPLO-NTSWFWBYSA-N	243.288	-0.302	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1COCCO1	1940287249	KTZZNHVYIUDEFG-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1941085665	DZVVNGQHHRJRLX-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
COCCOCCCOC[C@@H]1C[C@H]1C(=O)NN	1941086059	PTOODJHIVOWGEB-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941088367	PXNYNAYTNZRCJY-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
CN(CCn1cccn1)C[C@@H]1C[C@H]1C(=O)NN	1941089183	UGAPBXIIGZEAJC-VHSXEESVSA-N	237.307	-0.559	50	10	BBGE	
COCCOCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1941090716	QGWNUAWADUUNRY-ZJUUUORDSA-N	245.323	-0.793	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)[C@H](C2CC2)C1	1943083820	RECWKCKYQLZCNM-GISOBZBCSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H]1[C@H]2CN([C@H](C)CC(=O)NN)CC[C@H]21	1944582054	QZBRMUQOMCTQMZ-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1945548534	GNKOYQSZPPZYDZ-UMNHJUIQSA-N	241.335	-0.295	50	10	BBGE	
Cn1cccc(OC[C@@H]2C[C@H]2C(=O)NN)c1=O	1950721827	JDRBBNPNJYJDAI-JGVFFNPUSA-N	237.259	-0.610	50	10	BBGE	
OB(O)C1CCN(Cc2cnccn2)CC1	1951322249	ZGOUUVCDYWUXPH-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
COc1ccnc(OC)c1[C@@H](N)[C@H](O)C#N	1953056899	GNWSYEKBRYKHMO-MUWHJKNJSA-N	223.232	-0.017	50	10	BBGE	
CN(C(=O)CCl)[C@@H]1CCCNC1=O	1954036400	CHSCEWOVIAXIAT-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H]1CONC1=O	1954239601	OHQZUFFRMSBIRK-UHNVWZDZSA-N	206.629	-0.450	50	10	BBGE	
O=C(CCl)N1CCN(CCCO)CC1	1956768682	QVILJWRNENAVTE-UHFFFAOYSA-N	220.700	-0.248	50	10	BBGE	
CC1(C)CC(=O)N1C[C@H]1C[C@@H]1C(=O)NN	1958183096	HKVCEDACCUKRPD-RQJHMYQMSA-N	211.265	-0.377	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC[C@H]1O	1958982325	MGVIKJRLVINBIH-LXGUWJNJSA-N	211.217	-0.574	50	10	BBGE	
CN(Cc1ncc(Cl)n1C)C(=O)C(=O)NN	1979280688	HMTDPYBMYYGXQT-UHFFFAOYSA-N	245.670	-0.978	50	10	BBGE	
OB(O)c1cnccc1N(C1CC1)C1CC1	1981409981	UODCMXANNHZSRV-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
NNC(=O)CCCOCCN1CCOCC1	1982845892	DISUQBHVXOPFPK-UHFFFAOYSA-N	231.296	-0.895	50	10	BBGE	
CCC(F)(F)Cn1cccc(B(O)O)c1=O	1984102783	WXTMZTFMPVFPSM-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
N=C(NO)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1Cl	1991694533	UNTKQDXYKZAJAL-ACZMJKKPSA-N	247.682	-0.203	50	10	BBGE	
CC[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)O1	1993511819	DZRUUSPDMRPRDX-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
Cc1ccnn(CC(F)(F)C(=O)NN)c1=O	1994698102	FRPVSBYASLAADO-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
C[C@H]1CN[C@H](C(=O)N2CCC(O)(C#N)CC2)C1	1997068149	IRIVUBIRMWJHPF-ZJUUUORDSA-N	237.303	-0.139	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	2001045117	FNBJLNFWXLYPNZ-ADEWGFFLSA-N	241.335	-0.151	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cn1	2004917320	AXNHGAGVENHTAW-UWVGGRQHSA-N	232.092	-0.146	50	10	BBGE	
CC[C@H]1CN(c2ccc(B(O)O)cn2)CCO1	2004919418	YRSRHYMVHSNFLZ-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CN(Cc1ccco1)c1ncncc1B(O)O	2004920620	LPTGFMKMVOTPRG-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CCCN(c1ncnc(C)c1B(O)O)C1CC1	2004973540	WNEIAURWZGNJTD-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
COc1cnn(-c2ncc(B(O)O)cc2C)c1	2005005984	YLSFEUWKTPCTCG-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CCOC1CN(c2ncc(B(O)O)cc2C)C1	2005018357	SEXSYWPQYWYBMT-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCOC[C@@H]1F	2013731738	SWLJSNDNOODNII-IUCAKERBSA-N	249.286	-0.948	50	10	BBGE	
COC[C@@H](C)CCn1cc(B(O)O)ccc1=O	2014201928	FENMNOWYORHPLW-VIFPVBQESA-N	239.080	-0.799	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@@H]3C2)nc1	2014769227	CRJNIDBFNQPSMJ-RKDXNWHRSA-N	233.080	-0.607	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@@H]2CC[C@H]21	2015990990	SNTIXMRZOYNZEU-PRJMDXOYSA-N	249.261	-0.543	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H]1CF	2016763559	MZJLWBMBGKVCJY-SVRRBLITSA-N	238.027	-0.695	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnn2c1CCC2	2020056510	LPGRUYRLPCJYPO-UHFFFAOYSA-N	235.052	-0.873	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)n[nH]1	2020059886	RMSSVARAERASER-QMMMGPOBSA-N	235.052	-0.451	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccn1C1CC1	2021157375	LHBKVTDHTRNFJF-UHFFFAOYSA-N	232.048	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccn2nccc2c1=O	2028055015	ZRHFMNVDMBHTOI-JGVFFNPUSA-N	247.258	-0.878	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@H]1C(N)=O	2028922740	QWGMMVNYPNQXFZ-VHSXEESVSA-N	248.286	-0.723	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@]12CCC[C@H]1C2	2040767762	XAECIXKBGHJLGB-UFBFGSQYSA-N	246.075	-0.110	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2cccc2C#N)n1	2050242866	QCODCIFATFTABP-UHFFFAOYSA-N	244.258	-0.255	50	10	BBGE	
CC(C)n1ncc(B(O)O)c1OCC1CC1	2060003713	XLMCCUPIDNWKNQ-UHFFFAOYSA-N	224.069	-0.067	50	10	BBGE	
Cc1ccnc(OCCn2ccnc2)c1B(O)O	2064612355	XCESJFRPBZVBLL-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
C=CCOCCNC(=O)c1ccccc1B(O)O	2079011082	YNKMFNFZCMYNGN-UHFFFAOYSA-N	249.075	-0.701	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1Cc2cc(O)nnc2C1	2085237352	MIMRPULQLFGCJX-HTRCEHHLSA-N	249.274	-0.876	50	10	BBGE	
N[C@@H]1[C@H]2C[C@@H](CN(C(=O)F)C2)[C@@H]1CO	2210031030	WJVAVYRZYNBLEO-DKXJUACHSA-N	202.229	-0.037	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1OC[C@H]2CCCC[C@@H]21	2210295551	JOTUXAKXEHHLTK-GJMOJQLCSA-N	227.264	-0.109	50	10	BBGE	
CN1CC[C@H](COCC(C)(C)C(=O)NN)C1	2211768340	VIYZSZDRTKUZCN-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CC1(C#N)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838634	JMEKINJSEIZTAN-RKDXNWHRSA-N	222.292	-0.152	50	10	BBGE	
C#CCCN(C)c1cc(B(O)O)c(C)cn1	2212603622	HRRBPHMHZKIAFF-UHFFFAOYSA-N	218.065	-0.471	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C(C)(F)F	2212612685	NHCWEGRZPRSINJ-RXMQYKEDSA-N	231.011	-0.388	50	10	BBGE	
OB(O)c1ccnc(N2CCCC23CC3)c1	2212613525	WJODIQCMKWLJGU-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
C[C@H](N)[C@H](C)COc1cc(B(O)O)ccn1	2212613970	RLKUEJYQAGTICL-SFYZADRCSA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCCC[C@@H]21	2212685325	GDIJXWRFENKEDD-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
CNC[C@@H](C)N(C)Cc1cccc(B(O)O)c1	2214596414	QCCWYCMBLORMCU-SNVBAGLBSA-N	236.124	-0.594	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2COC[C@@H]2C1	2215776682	OJOKQVGJRVXACI-VPOLOUISSA-N	239.319	-0.419	50	10	BBGE	
OB(O)c1cccnc1OCCNCC1CC1	2217174542	VOFLXJWDIOVGSO-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
OB(O)c1ccc(=NCCCOC2CC2)[nH]c1	2217181820	VOZLYXYQFMKBNR-UHFFFAOYSA-N	236.080	-0.836	50	10	BBGE	
CC(C)[C@@H](N)CCOc1ccc(B(O)O)cn1	2217188675	RVTWXMYQZLBCQS-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1Cn1cc(B(O)O)cnc1=O	2217411859	ZGFIQFJWQIVOES-SCZZXKLOSA-N	236.080	-0.785	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CCN1Cc1cccc(B(O)O)c1	2221487272	DANBMAQMXSNOHR-CMPLNLGQSA-N	245.087	-0.265	50	10	BBGE	
CC(C)[C@H]1CNCCN1c1ncccc1B(O)O	2223632300	HWGVZABKQMQHPC-LLVKDONJSA-N	249.123	-0.804	50	10	BBGE	
C=CCNC(=O)c1ccsc1B(O)O	2241468559	QJBZPWSKZBRTAA-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
C=CCCSc1ncc(B(O)O)cn1	2241929518	UEHQQJNMJHOMNT-UHFFFAOYSA-N	210.067	-0.175	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)C1(B(O)O)CCC1	2243347282	KOARZFJBYWUJSI-ZETCQYMHSA-N	225.053	-0.079	50	10	BBGE	
O=C(Nc1nncs1)c1ccoc1B(O)O	2243349016	DGGAYIUQKMGQBE-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC(F)(F)C1	2243357218	SYPAFGFCZLQFOF-SSDOTTSWSA-N	231.007	-0.304	50	10	BBGE	
CCN(C(=O)c1occc1B(O)O)C(C)C	2243364130	RKEVUCSWCDNSGE-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
COC[C@@H](NC(=O)C1(B(O)O)CC1)C1CC1	2243365163	IRXZKWCJYLIVGN-MRVPVSSYSA-N	227.069	-0.465	50	10	BBGE	
Cc1cc(C(=O)N(C)CCF)c(B(O)O)s1	2243377533	BAPCMKCLBIAJKK-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
Cc1sc(C(=O)N2CC=CC2)cc1B(O)O	2243381667	IFAROOFBUXULBG-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
C[C@@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383284	WOMRJQRFZXYBNE-LURQLKTLSA-N	227.069	-0.610	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)cs1	2243385191	DSTFPOHXEZGPCD-QMMMGPOBSA-N	237.089	-0.124	50	10	BBGE	
CC[C@@H](CO)N(C)C(=O)C1CC(B(O)O)C1	2243392544	UVBLIKLWQCDSHT-HACHORDNSA-N	229.085	-0.531	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1C(=O)C1CC(B(O)O)C1	2243396205	IZOWCUMYWGBBKJ-KRTGUUSXSA-N	226.085	-0.813	50	10	BBGE	
O=C(Nc1nccc(F)n1)C1(B(O)O)CC1	2243397784	IYMNGJJRBHFRNZ-UHFFFAOYSA-N	224.988	-0.439	50	10	BBGE	
CC(C)(C)CNC(=O)c1sncc1B(O)O	2243399089	WKOSAAHZACAARI-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CCN(OC)C(=O)c1cc(C)c(B(O)O)o1	2243413502	HRZYILCJWDTVGL-UHFFFAOYSA-N	227.025	-0.709	50	10	BBGE	
O=C(NCc1ccccn1)[C@@H]1C[C@@H]1B(O)O	2243414545	CUBRXDSXMQIDSN-BDAKNGLRSA-N	220.037	-0.439	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)[C@H]1C[C@@H]1B(O)O	2243425693	AYJCYNUHTQUJOO-VGMNWLOBSA-N	226.085	-0.892	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]1CF	2247735932	QHNUEGJBWGAVJF-MRVPVSSYSA-N	241.027	-0.467	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CCC2)co1	2247736327	UZKVKFPVQSIERV-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247753040	AMHYMFOYZWRQCH-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccc(C(=O)N2CC=CC2)c(B(O)O)c1	2247760624	KZBFZBSOYZNLLM-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@H](O)CC1	2247793654	ZDWOXQZGJXWVOT-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247798924	YIHPOFRGKAYBKY-XKNYDFJKSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CCC[C@H](CN)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2247809340	PEKXMADJBRAOQP-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CCOC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247809588	ZUUIMWCFGHRAHE-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2247809772	RGFNPQDTCSJQCQ-LOLPMWEVSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2247810612	YTKGZDPAIZYZDA-HQBQHRAMSA-N	241.096	-0.223	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H](O)CC1	2247810660	ZDWOXQZGJXWVOT-UDNWOFFPSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1ccoc1B(O)O	2247846457	GXXSERZAOOFCPS-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
CC(C)N(C)C(=O)c1ccc(B(O)O)cc1F	2247855537	UJTOHDYVUIODGF-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
O=C(c1occc1B(O)O)N1[C@H]2CCC[C@H]1C2	2247856721	MPZSBBQRJOOCBV-YUMQZZPRSA-N	235.048	-0.274	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC12CCC2	2247878641	LZLGITMQWRQDHK-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
CC[C@@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2247879577	UVZYYKBLBOULNY-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879706	VBQBKEOKJXNMTF-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
Cc1noc(CNC(=O)C2CC(B(O)O)C2)n1	2247891794	NVIYMJIYALKMQH-UHFFFAOYSA-N	239.040	-0.753	50	10	BBGE	
C[C@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247893915	AGFLVXZLBVVYSD-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896610	HWEDUJZQXVQLAP-XKNYDFJKSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]1C1(O)CC1	2247899066	KEVRSAOSNOYICO-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
COCC(C)(COC)NC(=O)[C@H]1C[C@H]1B(O)O	2247900439	WTZQDKAQOWPGFD-JGVFFNPUSA-N	245.084	-0.983	50	10	BBGE	
O=C(N[C@@]12CC[C@H]1CNC2)C1CC(B(O)O)C1	2247904592	QMCLWQTXRBAPKN-JIIGURBLSA-N	238.096	-0.892	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248574586	SYUWLHMFJDBHOS-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248576493	KNTUKLDNZIEGEW-NBBQQVJHSA-N	241.052	-0.924	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)C1(B(O)O)CCC1	2248585798	QQKUCUVCKSXRBA-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)co1	2249418448	UHZMHPWBWRFAAK-BRPSZJMVSA-N	235.048	-0.655	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2250002967	RCKNOPYQDIMOPW-RCWTZXSCSA-N	235.092	-0.200	50	10	BBGE	
C=C1CC(NC(=O)c2nc(C)ccc2B(O)O)C1	2255487423	PBJSCPKPOOIXKO-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@@H]1C1CCC1	2255554646	OYUZTQOOKGDEOF-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
NCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)c1ccccc1	2255562887	AKZHKACGOGBZFY-MNOVXSKESA-N	248.091	-0.159	50	10	BBGE	
CCc1nccnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2255685344	ZEWOAJZQLMNOAM-HTQZYQBOSA-N	249.079	-0.482	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1[C@@H]2CC[C@@H]12	2255691458	DYIVXOPZDQHYHL-RKDXNWHRSA-N	248.091	-0.674	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cccc(B(O)O)c1F	2255726506	DMDSZOMJICUNGF-SECBINFHSA-N	249.050	-0.212	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ncncc1B(O)O	2255729791	AVCDRZQPMNVARU-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
COc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(B(O)O)c1	2255790137	SOUQITAHHKOURX-CPCISQLKSA-N	249.075	-0.487	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](Nc1cc(B(O)O)ccn1)C2	2258394833	VDZDPJMMJFOBLO-NHCYSSNCSA-N	248.091	-0.259	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@@H](CO)C[C@H]2CCCC[C@H]21	2298232451	CDWGTWRCHKTLSX-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
O=C(NC[C@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2298368453	FLVMFYYMUHRCHP-GENCIFFESA-N	239.080	-0.610	50	10	BBGE	
O=C(NC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@H]1C[C@H]1B(O)O	2298369349	RKMJTIIISHWKRJ-LJSJULFESA-N	235.092	-0.133	50	10	BBGE	
C=C[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369774	FGVUOEXSNVVQNB-KKZNHRDASA-N	239.080	-0.347	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370710	IIEHLAFLLZVLIL-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298375252	BTMFFGCUFBMJQI-JLIMGVALSA-N	240.112	-0.648	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298377458	RTVNCXGCNUMPGM-AZDAQJLHSA-N	238.096	-0.909	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298377558	VUQVSKJLIMZQAK-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2298463365	ZOXRUYSQNIHLST-TVNFTVLESA-N	241.052	-0.925	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)C1CC(B(O)O)C1	2298554892	CPBRKKIUFNEFIB-GCPOWRFASA-N	239.080	-0.467	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CCC1(F)F	2298960987	BZHVLSQGAKBMLJ-SSDOTTSWSA-N	243.018	-0.427	50	10	BBGE	
CN(C)CCOc1ccc(C=O)c(B(O)O)c1	2301420204	BMJLBWPXRVRIFK-UHFFFAOYSA-N	237.064	-0.881	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)c(F)cn1)C(C)(C)O	2303834116	ABYOUIOTJHXUGG-ZCFIWIBFSA-N	242.059	-0.528	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1CC1(C(=O)NN)CC1	2304308994	GFSVKTSVEURATO-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN1C(=O)c2ccncc2C1=O)C(=O)NN	2328518105	BUWYLJGYAJKJCO-LURJTMIESA-N	248.242	-0.696	50	10	BBGE	
O=C(NCCO)[C@H]1SSC[C@@H]1O	13384090	LHFFRRDCDOTHHS-WHFBIAKZSA-N	209.292	-0.781	50	10	BBGE	
NNC(=O)[C@H](NC(N)=O)c1ccccc1	37389381	IJPGHTYHUJGZAB-SSDOTTSWSA-N	208.221	-0.614	50	10	BBGE	
Cn1cnnc1CNC(=O)NC(=O)CCCl	50421909	AYBFQNBMRJZGQN-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
Cn1nnnc1S(=O)(=O)CCCCl	60029166	OIJIRPQETQFBAY-UHFFFAOYSA-N	224.673	-0.387	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]([C@@H](C)N)C1	70174626	ULFXLSKDESJMHG-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
Cc1nccn1C[C@@H]1CC[C@H](C(=O)NN)O1	82468398	FGGDMRLHXUXCLW-DTWKUNHWSA-N	224.264	-0.271	50	10	BBGE	
OB(O)c1cncc(OCc2ccccn2)c1	203523975	KUXCJPMTOORPPL-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCNS(C)(=O)=O	218342537	KQVOBHSWQPIOKK-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
CCOCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	219975207	MGAITXIVCVSXPJ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228125027	HJIWVFPWSMZCCW-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
O=C1C[C@H](NC(=O)CCBr)CN1	229035756	OJEQWAVHJYGEKM-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)CC(F)(F)F	231593394	YBTDZPABXMQBBB-ZCFIWIBFSA-N	243.229	-0.389	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)c1cccc(C#N)c1	232419451	GXDFWQGZCUAHCD-LLVKDONJSA-N	248.286	-0.001	50	10	BBGE	
O=C(NCCN1CCNCC1)OCCCl	244315319	XFUDHTNWMIOPMC-UHFFFAOYSA-N	235.715	-0.143	50	10	BBGE	
NNC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	258846324	WVOLIAGXBWEBAO-UHFFFAOYSA-N	207.193	-0.149	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@@H](C)C(=O)NN	304620802	XMMVRFAMYZLTQQ-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@](O)(CO)C1	306738823	BXTNJFQENCSHQN-SVRRBLITSA-N	207.657	-0.431	50	10	BBGE	
CNC(=O)NNC(=O)CSSC	308073747	BZLHOECCJAKLKC-UHFFFAOYSA-N	209.296	-0.042	50	10	BBGE	
CN(CCO)Cc1nc(C(=O)NN)cs1	382380721	HRUOWJMCYJMZDV-UHFFFAOYSA-N	230.293	-0.829	50	10	BBGE	
CCS[C@@H]1CCN(C(=O)C(=O)NN)C1	382930183	KELVKKXOQNLNAX-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
CC(CCC=NNC(N)=O)=NNC(N)=O	383914327	ANHPQXIDBJJKHX-UHFFFAOYSA-N	214.229	-0.535	50	10	BBGE	
COCC(=O)Nc1cc(Cl)ccc1B(O)O	405003999	AOHBOFZXXAYHEP-UHFFFAOYSA-N	243.455	-0.395	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(B(O)O)c(C)c1	405053933	AHAAEJSTJVRGMV-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(N)=O	405191699	WTWDKXRTZUPZGY-UHFFFAOYSA-N	208.026	-0.581	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(CCC(=O)NN)C1	688959075	LPIKXSDNZXDLMI-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](NC(=O)CCBr)[C@H](O)CO	698877205	YFSYDIDCAOQFRZ-NTSWFWBYSA-N	240.097	-0.371	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nccnc1C	700076877	BTHMQDZPGDHYOP-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
CN1CCOC[C@H]1CNC(=O)CCl	700170706	WDVDTXAGKQYVDF-SSDOTTSWSA-N	206.673	-0.328	50	10	BBGE	
O=C(CCc1nc2ccccc2[nH]1)NCB(O)O	701939863	WGRLGRUQTUKPEQ-UHFFFAOYSA-N	247.063	-0.376	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CCCC[C@H]21	706760027	PGTRIJYGFABNIX-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](C)C1	708125453	YVATYGZTNNQALZ-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(N)=O)N(C)Cc1ccc(C(=O)NN)o1	711135539	PEMTYRWNBVGTDU-ZCFIWIBFSA-N	240.263	-0.811	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715401229	HYRKCONFKKCXGA-HCWXCVPCSA-N	205.208	-0.438	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)CCCCl	717356600	QSHBSLIJXUMELC-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
O=C(CO)N/N=C/[C@H]1[N]C(Cl)=CS1	725545326	KLPJARZFXIAUNY-HOVJMAPBSA-N	220.661	-0.204	50	10	BBGE	
COc1cc(NC(=O)NNC(C)=O)nn1C	775914031	ORDXYGDTDGYXGQ-UHFFFAOYSA-N	227.224	-0.399	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)c1cnn[nH]1	826584150	RHXMXHUOLLCWFU-UHFFFAOYSA-N	221.220	-0.775	50	10	BBGE	
CCCC(=O)NCC(=O)NN(C)C(=S)NC	854925078	AHZDNNJLTUGAKU-UHFFFAOYSA-N	246.336	-0.630	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)NCc1ccco1	1136414162	WHZOZKQNEVLWMI-MRVPVSSYSA-N	239.231	-0.343	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnc(CO)c1	1142535268	QOQQPZCTKPRWPV-UHFFFAOYSA-N	238.247	-0.510	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1ncncc1F	1159795738	JNBPKCTYIFDBIL-ZCFIWIBFSA-N	212.184	-0.394	50	10	BBGE	
COC[C@H](C)CC(=O)NNC(=O)c1ncon1	1627099680	JEWYWPOPLVTJRK-ZCFIWIBFSA-N	242.235	-0.497	50	10	BBGE	
C=C(CN(C)C)C(=O)NN(C)C(=O)NCC	1632530712	QEHBGSADWOPJBD-UHFFFAOYSA-N	228.296	-0.203	50	10	BBGE	
NC[C@@H](O)C(=O)NC[C@@H]1C[C@@H]1Br	1877375450	LMZCPXIUDQEKLM-HCWXCVPCSA-N	237.097	-0.794	50	10	BBGE	
CNNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1880030276	KOYBDZAMRDHIBZ-RNFRBKRXSA-N	247.295	-0.489	50	10	BBGE	
N[C@@H](C[S@](=O)C[C@H]1C[C@@H]1Cl)C(=O)O	1883567774	RCKJMPMWJXIFTD-OWMKVLFLSA-N	225.697	-0.226	50	10	BBGE	
CNC(=O)CNC(=O)/C=C/C(=O)Cl	1883649052	KOSPDDDIKHBJKQ-NSCUHMNNSA-N	204.613	-0.830	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1CF	1885914458	DIOZXTXUWQLZCJ-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1886137306	FRAVSKITULKMHK-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)C[C@H]1CO	1886212186	XPMUZXWJMZILFD-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
CN(NC(=O)CC(C)(C)O)S(C)(=O)=O	1888561589	GDVNNGQLGGCISE-UHFFFAOYSA-N	224.282	-0.930	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)C1(Cl)CC1	1892924384	OVOLIGUKHCZEHM-UHFFFAOYSA-N	239.489	-0.797	50	10	BBGE	
O=C(COC1CNC1)NC[C@@H]1C[C@@H]1Cl	1893097954	GDMBTQANWKDUIP-XPUUQOCRSA-N	218.684	-0.282	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC[C@H]2C[C@@H]2Cl)C1	1893098791	KUFZAXCYWOYPAI-KVPKETBZSA-N	239.724	-0.639	50	10	BBGE	
CC[C@@H](O[C@@H]1CCN(C)C1)C(=O)NN	1894991848	MFUPNWHQQQRSCO-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@@H](C)[C@@H]1C	1895729100	DVWZBGYDJPQEAH-OYNCUSHFSA-N	229.324	-0.175	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CCl)n1	1897349499	VUQAMOLYGVATCV-LYFYHCNISA-N	241.682	-0.091	50	10	BBGE	
C[C@@H]1NCC[C@H]1CC(=O)NN(C)S(C)(=O)=O	1901341784	ZTYBMZDWDBHIAA-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@H]1CCN(CCN2CC[C@H](B(O)O)C2)C1	1902513694	SMNBEAWKCYSSBR-QWRGUYRKSA-N	226.129	-0.123	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CCO1	1905585126	ZHIDZLQODMLPHQ-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)C2(CCC2)C1	1906342074	ZMJYHHXKQIFJBX-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907273972	LKQYWSICEZFUAX-XLPZGREQSA-N	249.261	-0.828	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1907659684	KTGPBPXIBIVFEO-YIZRAAEISA-N	247.314	-0.347	50	10	BBGE	
O=C(Cn1cnnn1)N1CC=C[C@@H]1CCl	1909251441	PEPPHTBHNOEJDF-SSDOTTSWSA-N	227.655	-0.321	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CC#N)C1	1915063824	WWVSFVZNNJWTNI-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1C(F)(F)F	1916174371	PAMRJPXHAUPGNV-PHDIDXHHSA-N	241.213	-0.372	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C(=O)NN)C(C)C	1916836517	CWGWUDUULHEHEJ-JGVFFNPUSA-N	230.312	-0.933	50	10	BBGE	
CCN(CCC#N)C[C@H]1C[C@@H]1C(=O)NN	1927913200	GOYLUNHHPXRIOB-BDAKNGLRSA-N	210.281	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2C[C@H]1CS2	1927914013	PUIWOMLLEUIZKC-MAUMQABQSA-N	227.333	-0.198	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)S1(=O)=O	1930745515	HERJIZZQKLGVEQ-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
Cn1nnc(CN2C[C@](C)(CCl)C2=O)n1	1931736936	OVLDQQYKIJFPHS-QMMMGPOBSA-N	229.671	-0.203	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC1(C)C	1934004194	LRAAXTITPVDANA-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[S@](=O)CC1	1936090463	HZRIMARKASLYKU-DRTKUVKGSA-N	245.348	-0.933	50	10	BBGE	
Cc1cn(CCNC(=O)NC(=O)CCl)nn1	1937927904	DQEWJBSSRYYJGS-UHFFFAOYSA-N	245.670	-0.349	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@]12CCOC2	1941078199	LCXQHGFAZVWTAR-FOGDFJRCSA-N	239.319	-0.133	50	10	BBGE	
Cc1ncn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1C	1941087320	MYPYSOUOMXVIKM-BDAKNGLRSA-N	236.275	-0.514	50	10	BBGE	
NNC(=O)c1cncc(CN2CC(CO)C2)c1	1944078967	AIGOUAPYUURFQQ-UHFFFAOYSA-N	236.275	-0.891	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2OCCO[C@@H]2C1	1944743954	JKEJPBCLCSFPIX-AXTSPUMRSA-N	243.307	-0.900	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](O)[C@H]2C1)C(=O)NN	1946111480	XSNYARYOSAYXIQ-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CNNC(=O)C1(S(C)(=O)=O)CCC1	1953822066	MJJJDZOPLBFFHM-UHFFFAOYSA-N	206.267	-0.796	50	10	BBGE	
C[C@@]1(NC(=O)C(=O)NN)CCCC1(F)F	1961493692	TWLBQUGSXQDGEN-SSDOTTSWSA-N	221.207	-0.330	50	10	BBGE	
CSC1CN(c2ccc(B(O)O)cn2)C1	1961681376	UHURYRJZDQOTLP-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2C[C@H]2C1	1961694191	KZEXWDPXNPNOFU-YUMQZZPRSA-N	204.038	-0.783	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2CC2)n1	1961697188	VQFUOTQTVVEHMR-UHFFFAOYSA-N	208.026	-0.686	50	10	BBGE	
CCc1ncncc1C(=O)NNC(N)=S	1975166884	OPHRPCOPFWJSFD-UHFFFAOYSA-N	225.277	-0.483	50	10	BBGE	
CCCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1976979263	JUISALXGBMVSTM-ZETCQYMHSA-N	231.057	-0.391	50	10	BBGE	
CC[C@@H](C)OC(=O)N[C@@H](CB(O)O)C(=O)O	1976980054	SWGFFXBBDUQKRY-RITPCOANSA-N	233.029	-0.563	50	10	BBGE	
COCCCN(C)c1ncccc1B(O)O	1981423459	DRVXGYWHHOJKIO-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CO[C@]1(CN(C)[C@@H](C)C(=O)NN)CCOC1	1987015245	PXGRNWZMAQRLHZ-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
COC(=O)c1cc(C(=O)NN(C)C)n(C)n1	1987596790	SHAUMRBCQVRBSE-UHFFFAOYSA-N	226.236	-0.587	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H](N(C)CC(=O)NN)CCN1C	1990104700	HGXAOJSBAGYRCP-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)/C=C/C(=O)Cl	1991712957	NAGYRXPWYSTXOI-ZWKZYDTBSA-N	244.678	-0.461	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1997512774	NGPNTWMVIWGNOG-WDEREUQCSA-N	240.351	-0.077	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)[C@H]1CC[C@@H](O)CC1	1997588370	OHJPKOXAOGEGMY-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
Cc1nc(CN(C)CC2(C(=O)NN)CC2)no1	1997752241	KNUMVFFUUSZDLL-UHFFFAOYSA-N	239.279	-0.420	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868417	OWOYYRNZALESFR-RCWTZXSCSA-N	240.351	-0.363	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C)c1ncncc1B(O)O	2004912376	SDEBNIODHPDPED-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
CC(C)N(CC1CC1)c1ncncc1B(O)O	2004921402	VPNNEKBSYWJUPU-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(N2CCC(C)(C)C2)ncc1B(O)O	2004974782	PKRDBWBGJFGNNL-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@H](F)C2)c(B(O)O)c1	2005014166	HQOGGOGEDMNLAL-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3(F)CC2C3)n1	2005017189	AZRCHGHCHRWZCT-UHFFFAOYSA-N	237.043	-0.844	50	10	BBGE	
COc1ccc(CC(=O)NNC(C)=O)cc1N	2016967684	IXGJEFROCFQUHL-UHFFFAOYSA-N	237.259	-0.013	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@@]1(C)O	2017233419	FXMLGGOCAFYHFE-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CCCO[C@@H]1CCN(CC(=O)NNC(C)=O)C1	2019208693	HHFLUBYXZCOEHT-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)C[C@H](C)O1	2019216012	YRRGBRKPKIIZAO-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CCOC[C@H]1F	2020497206	SGXKUMUBUGCIJQ-PSASIEDQSA-N	241.027	-0.733	50	10	BBGE	
Cc1cc(F)ccc1C(=O)NCC#CB(O)O	2021164999	OVHSQFCSCDHTML-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
CC1=CCN(C(=O)c2ccccc2B(O)O)C1	2022196472	NAYQRAVDOVPJNC-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
C[C@@H](CN1CCN(C)c2ncccc21)C(=O)NN	2051518497	KYZSCQNMVWJSSR-VIFPVBQESA-N	249.318	-0.036	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C)c1nc(C)ncc1B(O)O	2052617674	HEPDDSRJGQFGLN-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@@H]1C[C@@H]2C[C@@H]2C1	2055741463	UDCNWMIFIHEJFN-JIGDXULJSA-N	244.063	-0.523	50	10	BBGE	
Cn1cc(N2CC(=O)OC(=O)C2)ccc1=O	2210236784	CREZENCVTGRCTP-UHFFFAOYSA-N	222.200	-0.725	50	10	BBGE	
CC[S@](=O)Nc1ccc(OC)cc1B(O)O	2211850855	RYDFIWNDHXYHFU-INIZCTEOSA-N	243.093	-0.530	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H](F)[C@@H]1CCOC1	2212188044	WDZLIKAMPIBKFY-RKDXNWHRSA-N	233.287	-0.327	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]3C2)c1F	2212605884	LKRIBZMRAIXSCX-BQBZGAKWSA-N	222.028	-0.643	50	10	BBGE	
CO[C@H](C)CCN=c1cc(B(O)O)cc[nH]1	2212610781	OVATVMYOLAPNJG-MRVPVSSYSA-N	224.069	-0.980	50	10	BBGE	
CS[C@@H](C)CCN=c1ncc(B(O)O)c[nH]1	2212610852	PZRLSUYOJOYERZ-ZETCQYMHSA-N	241.125	-0.868	50	10	BBGE	
CC(C)NCCNc1ncccc1B(O)O	2212615701	SSXXMIJJMSIBGC-UHFFFAOYSA-N	223.085	-0.829	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](CO)CC1CC1	2213909599	AUTFAWLCSNVAGM-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
C[C@]1(C(=O)N2CCC(O)(C#N)CC2)C=CCN1	2215620908	FNSUDCKBGLAQTH-LLVKDONJSA-N	235.287	-0.218	50	10	BBGE	
CON1CCN(C[C@H]2CC[C@@H]2C(=O)NN)CC1	2215771648	JFJGQJIOTRDBGH-ZJUUUORDSA-N	242.323	-0.819	50	10	BBGE	
CC(C)[C@@H](CCO)Nc1cc(B(O)O)ccn1	2217175696	MGEKWHISWIFVPH-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
C#CC[C@H](COC)Nc1cc(B(O)O)ccn1	2217178476	WKMWGTSECHDXON-SNVBAGLBSA-N	234.064	-0.788	50	10	BBGE	
Cc1cnc(NC2(C)CC(O)C2)cc1B(O)O	2217181954	XJFYCSYDULOZKE-UHFFFAOYSA-N	236.080	-0.605	50	10	BBGE	
C[C@H](CCCCO)Nc1ccc(B(O)O)cn1	2217202344	JRRZMMWGFWZGHK-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
CC1CC(CCN=c2ncc(B(O)O)c[nH]2)C1	2217203988	CTVBHYKZHYMDKF-UHFFFAOYSA-N	235.096	-0.574	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1c1cc(B(O)O)ccn1	2217204062	DSOOUYWOJANLNJ-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H](O)C1CC1	2220074197	TZGUJBJTSAFEMZ-CYBMUJFWSA-N	249.119	-0.431	50	10	BBGE	
Cc1c(CNc2cc(B(O)O)ccn2)cnn1C	2223629668	WHLJXCPENWKFNA-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
Cc1cccc(CNc2ncc(B(O)O)cn2)n1	2223632325	IHNCQUWEYVTLKS-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cnc(N2CC[C@H](CC#N)C2)cc1B(O)O	2223647878	DMDHAIDYUMUXQE-JTQLQIEISA-N	245.091	-0.190	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H](C)N1C	2223676139	WSHXNJHNIXOEGL-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
Cc1sc(C(=O)N(C)C)cc1B(O)O	2241474987	OLYDTMSTLBCRDP-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
CO[C@@H](CCl)CNS(=O)(=O)N(C)C	2242441731	WQLFSMTWAWCREV-LURJTMIESA-N	230.717	-0.364	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CN1	2243364565	ZAPPQDBXNDGXSB-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2nc[nH]c2C1	2243395743	BJEDLFPGEAKYLK-RITPCOANSA-N	221.025	-0.885	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1NC(=O)C#CB(O)O	2243398861	ICJXKIZHWROXNF-VDTYLAMSSA-N	234.970	-0.541	50	10	BBGE	
O=C(NCCF)c1cccc(F)c1B(O)O	2243398982	WFAWKXIVMYNQGB-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
CN(C[C@]1(Cl)CC1(C)C)C(=O)C#CB(O)O	2243404852	VMLOXIMIEBMNRI-SNVBAGLBSA-N	243.499	-0.132	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)sc1C	2243420731	YFKOUJOPSKCXQO-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243427689	ZFHSNRNTKQTYBR-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1COCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243427744	ZZMQSWKFOKDHMV-XHNCKOQMSA-N	227.069	-0.656	50	10	BBGE	
O=C(NCC1CSC1)c1cocc1B(O)O	2244212660	SYKILDQZQJEWFV-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)s2)CC1	2244541853	QQUIMEWBCWEPCB-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC[C@]12C[C@H](CO1)C2	2245217684	YWWMJIGTLWQAIU-REIXXSIJSA-N	226.276	-0.192	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC=C[C@@]1(C)CO	2246357153	YQRTXYLYOTUUJS-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H]1CCCO1	2246746496	BCFRLSRSWKYUDK-JTQLQIEISA-N	237.064	-0.372	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2247744780	YBRQHTUXVNALRM-OOZYFLPDSA-N	243.018	-0.496	50	10	BBGE	
CCCCN(C(=O)C#CB(O)O)[C@@H]1CCOC1	2247744794	YFXLXKDOUKYTNC-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)n[nH]2)C1	2247783740	KISCNWMOMNTDEY-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786876	HZBNMCLEFKYDEI-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
CN1CC[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796625	BHTALAOXXSFYOO-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797746	MNHVEOFMXZTPAR-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
CC[C@@H](CCO)CNC(=O)C1CC(B(O)O)C1	2247798509	UXRBMSKLXOPCFM-IDKOKCKLSA-N	243.112	-0.236	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(CO)CCCC1	2247800328	NUFWYYKUSFYPNT-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H](CO)C1CCC1)C1CC(B(O)O)C1	2247800900	UUKILEMTJOQXEP-RTBKNWGFSA-N	241.096	-0.483	50	10	BBGE	
O=C(Nc1ccccc1CO)[C@H]1C[C@@H]1B(O)O	2247806140	MFOKZFBPQWDDFK-IUCAKERBSA-N	235.048	-0.020	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806554	FXYDQTFESMGMRN-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2247810052	UFXYQCROCGMYDJ-KXUCPTDWSA-N	243.112	-0.021	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(C)CCF)c1	2247875480	ZETAEQQQTAUCEY-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
C#CCCC(=O)Nc1ccc(F)cc1B(O)O	2248398842	WTAVVPOJZMHDCW-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248573172	AHWHQLUGAXESTP-FXQIFTODSA-N	243.068	-0.391	50	10	BBGE	
O=C(NCC1(C(=O)O)CC1)C1CC(B(O)O)C1	2248573419	DRQVHSVDZXAIJY-UHFFFAOYSA-N	241.052	-0.780	50	10	BBGE	
COCCCCNC(=O)c1cocc1B(O)O	2249417062	ADNJPTIOSQSCHN-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1occc1B(O)O	2255484112	IGITYOORJDWYOA-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(B(O)O)n[nH]1	2255689980	SYEZWNNTXKGWTR-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)c1ncc[nH]1	2255732944	CTZHSHRSFMOMJR-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(Nc1cn[nH]c1)Nc1ccccc1B(O)O	2255889526	FYKCVNWJMVQLSU-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
C#CCCCCC(=O)Nc1ccc(B(O)O)cn1	2256635103	GKWBECGSRYHCFA-UHFFFAOYSA-N	246.075	-0.107	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2cocc2B(O)O)C1	2258135024	CQKBXOBSZSXZEH-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)NCCC#CB(O)O)C1	2258944913	ZJDMENDUTYKCKL-JTQLQIEISA-N	249.079	-0.663	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368491	HZXWSONZVRTQNZ-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@H]1C[C@@H]1B(O)O	2298370221	RTVNCXGCNUMPGM-UCKHGQTESA-N	238.096	-0.909	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)[C@@H]1C[C@H]1B(O)O	2298377597	XLJJBYQHUFJJNT-VCMDJLOCSA-N	239.080	-0.874	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463149	RZRDMCMFVZTVCP-YWIQKCBGSA-N	241.052	-0.829	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC2CC1(CO)C2	2299757312	WLIGWYREGMSYSM-SQLBVSGCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2302061183	QTGHNSRKHVXUMT-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
COCCOCC(=O)N1CC[C@@](C)(B(O)O)C1	2303115769	WWAFSNAJPORKSZ-SNVBAGLBSA-N	245.084	-0.885	50	10	BBGE	
O=C(Cc1ccccn1)N1CC[C@H](B(O)O)C1	2303116112	ZQMIFYWKBYIQNA-VIFPVBQESA-N	234.064	-0.301	50	10	BBGE	
CC[C@@](C)(Cn1ncc(C)cc1=O)C(=O)NN	2303435396	UIKGXTLWRVMSQM-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
CN(CCN1CC(=O)OC(=O)C1)c1ccccn1	2316202648	GJYAGIMZQJHYTM-UHFFFAOYSA-N	249.270	-0.097	50	10	BBGE	
N[C@@H]1CC[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317309763	VYQJAAFJSXLFPO-PRHODGIISA-N	248.091	-0.672	50	10	BBGE	
Cc1cc(OCC2[C@@H]3COC[C@@H]23)ncc1B(O)O	2319213549	WWJIBJSWJOBCJZ-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
CCCNC(=O)C(C#N)=CN[C@H](C)C(=O)O	2324220867	ZWTQKNRTYKBXPI-SSDOTTSWSA-N	225.248	-0.017	50	10	BBGE	
N=C(N)NCCCSS(=O)(=O)O	31320235	KMRUMDCKCWFUAW-UHFFFAOYSA-N	213.284	-0.604	50	10	BBGE	
COCCCN(CCOC)C(=O)NN	42426512	POVOVEIGUUKBMX-UHFFFAOYSA-N	205.258	-0.445	50	10	BBGE	
NCCSC[C@H]1CC[C@@H](C(=O)NN)O1	82473010	JLKOLBOHTVNXQM-RQJHMYQMSA-N	219.310	-0.784	50	10	BBGE	
Cc1nn(C)c(C)c1O[C@@H](C)C(=O)NN	83893093	VCAKBLMCVIOHTH-ZETCQYMHSA-N	212.253	-0.206	50	10	BBGE	
O=C1OC(=O)[C@H]2C[C@@H](C(=O)O)[C@@H](C(=O)O)C[C@H]12	100503662	KUPAKADFLMGMHT-FSIIMWSLSA-N	242.183	-0.502	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)[C@@H](C)COC	110595002	COOVZTCWPMSKLP-UWVGGRQHSA-N	247.339	-0.404	50	10	BBGE	
CC(C)(C)OC(=O)NOCC(=O)NN	114929401	WSRAUHOGHHXDJT-UHFFFAOYSA-N	205.214	-0.567	50	10	BBGE	
CC[S@@](=O)CCNC(=O)NC(=O)CCl	135310500	UDUHUPKENCRDKU-AWEZNQCLSA-N	240.712	-0.180	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CO)C1	226494591	GISAYPOXYAWYTN-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230357221	HFBDVMUHMXFPKM-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CCN(CC(N)=O)Cc1ccc(C(=O)NN)o1	231828559	XYNZWSLHORYHDO-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
CCN(CCC(=O)NN)[C@H](C)CN(C)C	232268039	CERBYLRUWOFYQV-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nnn(C)n1	234565129	GRDFLYUPUHDMFG-YFKPBYRVSA-N	233.659	-0.920	50	10	BBGE	
C[C@H]1CN2CCCC[C@H]2CN1CCC(=O)NN	251585949	CPAPDBLOVKEXOM-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
Cn1c(=O)oc2cc(CC(=O)NN)ccc21	258931903	AWRBKKWXJABVRO-UHFFFAOYSA-N	221.216	-0.336	50	10	BBGE	
N#CC1=CN=C(CN2CCOCC2)S1(=O)=O	260087474	OEMDINHOQFCHGS-UHFFFAOYSA-N	241.272	-0.490	50	10	BBGE	
COC[C@@H](N)C(=O)NCC(Cl)Cl	308044597	OWGAUAWJGBVQOU-SCSAIBSYSA-N	215.080	-0.120	50	10	BBGE	
N#C/C(C(=O)Oc1ccccc1)=C(/N)NN	309048036	LMMPIWYRGISMAX-CMDGGOBGSA-N	218.216	-0.251	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)[C@H](CO)C1	316476999	JIVZQLJMSASYSW-NKWVEPMBSA-N	207.657	-0.573	50	10	BBGE	
COC(=O)N/C=C(\C)C=NNC(N)=O	379340297	MPFSDXDGFDYBFP-AMPAFRLSSA-N	200.198	-0.100	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](CCO)C(C)C	381517911	SUWZBMYQEYRLCV-SECBINFHSA-N	231.296	-0.850	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(N(C)C)C1	382352627	QQSYKQQAJNVWFY-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
N#Cc1cc(B(O)O)cc([C@H]2CCCNC2)c1	382637207	GPKFBYCOXIOJEH-JTQLQIEISA-N	230.076	-0.295	50	10	BBGE	
CC1(O)CN(Cc2cccc(C(=O)NN)c2)C1	384057029	OVPGXEBWDBAQDY-UHFFFAOYSA-N	235.287	-0.143	50	10	BBGE	
CCCC1(O)CN([C@@H](CC)C(=O)NN)C1	384123899	JWNPGNZFCSVKJD-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
N#C/C(N)=C(/C#N)NC(=O)CCC(=O)O	384194534	VCAPTVALCHLZJU-AATRIKPKSA-N	208.177	-0.815	50	10	BBGE	
CC[C@@]1(O)CCCC(=NNC(N)=O)[C@@H]1O	389517610	XLBAMGWFSVVUOJ-IONNQARKSA-N	215.253	-0.303	50	10	BBGE	
N#CCCc1cc(CO)cc(B(O)O)c1	396038839	HTUYAQNODOPRTM-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
COC(C)(C)CN(C)C[C@H](C)C(=O)NN	404264206	YRGCEYJVEPCXGQ-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
CC(C)CC(=O)Nc1ncc(B(O)O)s1	404957410	ZAXIXKPKVKPDDF-UHFFFAOYSA-N	228.082	-0.193	50	10	BBGE	
CCC(=O)N[C@@H](C)c1cccc(B(O)O)c1	404992847	DCZSMFPMLPKUBJ-QMMMGPOBSA-N	221.065	-0.046	50	10	BBGE	
COC(=O)NNC(=O)C1(C(=O)N(C)C)CC1	495776557	WMBOATCXELWTEK-UHFFFAOYSA-N	229.236	-0.758	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C(=O)O1	689044074	RMCLLEUVRJYRQF-UHFFFAOYSA-N	201.226	-0.403	50	10	BBGE	
OB(O)c1ccn(CCOCC(F)(F)F)n1	694277896	VHODYCISSMOQDA-UHFFFAOYSA-N	237.974	-0.858	50	10	BBGE	
CC[C@@H]1COC[C@H]1N1CC(=O)OC(=O)C1	699871793	CSSNVKWLSIPZDF-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	713250668	YZWMOHYGMBOFKR-WPRPVWTQSA-N	245.087	-0.135	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718151049	IKHQQBTYNCJQMP-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)Nc2ccc(B(O)O)cc2)C1	718527609	PVJJMZGNFKTJOK-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CN(CCCl)S(=O)(=O)c1cnn(C)n1	725702877	NVZFJXHOGYGEPT-UHFFFAOYSA-N	238.700	-0.326	50	10	BBGE	
CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	770644232	JLYFXYFFJWVHDP-RQJHMYQMSA-N	200.238	-0.031	50	10	BBGE	
COCCN(C)NC(=O)CCCCC(N)=O	1117851745	RFTCRLPFSRSNFL-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
Cn1nncc1NNC(=O)COCC(F)F	1348481429	MYVXCKWQIGLJPI-UHFFFAOYSA-N	235.194	-0.460	50	10	BBGE	
Nc1ccnc(C(=O)NNC(=O)c2cc[nH]n2)c1	1453285907	SMODJEBJMFVNQF-UHFFFAOYSA-N	246.230	-0.538	50	10	BBGE	
Cn1ccc(NNC(=O)[C@@]2(F)CCOC2)n1	1472556127	FPCLNIYEUWUJJG-SECBINFHSA-N	228.227	-0.008	50	10	BBGE	
O=C(CO)NNC(=O)Cc1c[nH]c2cnccc12	1638526134	FHKHLXSPQZNFRG-UHFFFAOYSA-N	248.242	-0.755	50	10	BBGE	
CCOC(=O)[C@H](CC(N)=O)NC(=O)CCl	1865982749	PSVVGZUYXMZESO-YFKPBYRVSA-N	236.655	-0.852	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)C(Cl)Cl	1866331817	LVXXZBOGWGHEDV-QWWZWVQMSA-N	242.058	-0.164	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1883645316	NPQHBQNCPCVZDR-LMVFSUKVSA-N	206.629	-0.858	50	10	BBGE	
CN(Cc1csc(B(O)O)c1)C(=O)F	1887188054	KQBQDCIUERPRAR-UHFFFAOYSA-N	217.030	-0.051	50	10	BBGE	
CC(C)=CCOCCOCC(=O)NN	1887953808	OBSFIIQCPOTOTI-UHFFFAOYSA-N	202.254	-0.024	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)C=CC(=O)Cl	1893410900	PHISWWYRJZMSNH-PHDIDXHHSA-N	221.640	-0.834	50	10	BBGE	
O=C(NC1(CCO)CNC1)[C@H]1C[C@@H]1Cl	1893454214	UQONMGZCSPRLCK-BQBZGAKWSA-N	218.684	-0.546	50	10	BBGE	
CS[C@@H]1CC[C@@H]1N(C)CC(=O)NN	1893808992	XAPPOBVDLWARCD-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C(C(N)=O)[C@@H]2C1	1900558197	KGTVUHLCGHKOJF-KVQBGUIXSA-N	216.668	-0.197	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H]1[C@@H](C)N	1901339084	IALLPEQEIIRZSI-GJMOJQLCSA-N	249.336	-0.718	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@]1(C)N)S(C)(=O)=O	1901343789	GMHXINMIQRORSV-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H]3CC[C@H]3C2)n1	1902637256	JPCZYSQBOXUHIM-YUMQZZPRSA-N	238.121	-0.335	50	10	BBGE	
C[C@@H]1C[C@@H]1COc1cc(B(O)O)c(F)cn1	1903028424	YEGYHUVVSDLMPP-RNFRBKRXSA-N	225.028	-0.065	50	10	BBGE	
COCCS(=O)(=O)CCNC(=O)CCl	1904172427	MWYSXROHNHQNBN-UHFFFAOYSA-N	243.712	-0.597	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1csnc1B(O)O	1905064696	JEIGUQJNZRUOEU-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
C[C@@H]1CC(=O)N([C@H](C)CC(=O)NN)C[C@@H](C)O1	1905545154	IOUOBAGGRQYNBL-IWSPIJDZSA-N	243.307	-0.219	50	10	BBGE	
CCCN(CC(=O)NN)S(=O)(=O)CCC	1913478520	OBLKZPZWNFWVRR-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CCOC3)C2)c1	1915582452	HETYOBFOPLXVDZ-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CCOC2)C1	1915590661	QWFZOBKRLLPBCH-IUCAKERBSA-N	225.292	-0.665	50	10	BBGE	
Cn1nncc1C(=O)NNC(=O)C(F)(F)F	1923407699	CVUADXPOCCQOMU-UHFFFAOYSA-N	237.141	-0.862	50	10	BBGE	
CC(C)CCN(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1924521185	SKGNXSMAKRCWKB-QWRGUYRKSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)CN1CCCC[C@]12CCOC2	1930411253	CFLCQBYYENHENQ-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
NNC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1	1932581636	KLTIUZACBNJDHI-BDAKNGLRSA-N	213.281	-0.665	50	10	BBGE	
C[C@]1(CO)CCN1CCCC(=O)NN	1932966471	CVBANXRTXGHYSK-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
CC(C)[C@@H](NC(=O)NN)C(=O)N(C)C	1934965798	OCNFQAGENFVNBX-ZCFIWIBFSA-N	202.258	-0.728	50	10	BBGE	
NNC(=O)c1cncc(Cn2ccnc2)c1	1935732320	ZBMUGMYMQDNFLC-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@H](F)C1	1936027541	YPSYWJLKYWBUKL-BDAKNGLRSA-N	233.287	-0.449	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936081697	APGKXBZMJODNGG-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
CN1CC(N(C)[C@@H](C(=O)NN)C(C)(C)C)C1	1936505662	KRKKXQFGMRJKBR-VIFPVBQESA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CN1C[C@@H](O)[C@@H](C2CC2)C1)C(=O)NN	1937476953	FKVOQTSHVALDKY-SZEHBUNVSA-N	227.308	-0.685	50	10	BBGE	
CC(C)[C@@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1937982733	YNECFBNKCZYIFY-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCn2ncc(Cl)c2C1	1939122271	KIJBAMXNLMZYDM-LURJTMIESA-N	243.698	-0.270	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940097781	ZNYXCPMORTYNHC-JBDRJPRFSA-N	223.276	-0.519	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@H]1C[C@H]1C(=O)NN	1941086487	IVUYSLGMZIXKCE-RKDXNWHRSA-N	242.323	-0.978	50	10	BBGE	
COCCOCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1941090715	QGWNUAWADUUNRY-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@H]1C[C@H]1C(=O)NN	1941497984	FBFSJSPUHBCBEJ-RNFRBKRXSA-N	239.235	-0.274	50	10	BBGE	
C[C@@]1(O)CCNC[C@@H]1N1CCC(O)(C#N)CC1	1942973198	BTSMAOMGFZGSSA-WDEREUQCSA-N	239.319	-0.550	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CCC(=O)[C@H]2C1	1944397520	IPMBAKPMFGMEOQ-IUCAKERBSA-N	239.275	-0.935	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C)C(=O)CC1	1947185871	JQPAXKNJUMGRTG-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNC[C@@H](O)C2)CC1	1949637760	REVIUWKUMKMNER-QWRGUYRKSA-N	235.287	-0.361	50	10	BBGE	
O=S1(=O)CC[C@@H](CN[C@@H]2C[C@H]2CCl)N1	1955097376	SLXQJFCJNBSITA-BIIVOSGPSA-N	238.740	-0.105	50	10	BBGE	
CCN(CCCCO)[C@H](C)C(=O)NN	1955351524	NZKLDQQXEFTRTQ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)C[C@@H](O)CCl	1956254626	NTAHXOKFEATYDG-YUMQZZPRSA-N	222.716	-0.100	50	10	BBGE	
Cn1nncc1S(=O)(=O)N1CC(Cl)C1	1956896117	JNAUOPCODCHNOI-UHFFFAOYSA-N	236.684	-0.573	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ncno1	1958695812	XDUIBJJNVHKHLS-UHFFFAOYSA-N	213.241	-0.729	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	1960964264	JSBVDOVOEKUSAC-VGMNWLOBSA-N	212.297	-0.857	50	10	BBGE	
Cn1ncnc1Sc1nc(B(O)O)cs1	1961721777	CRDBDEFAHRCKBF-UHFFFAOYSA-N	242.094	-0.897	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@]1(CN)CO	1962292588	UETQEJFPDZNETL-DTWKUNHWSA-N	233.699	-0.861	50	10	BBGE	
C[C@H](CCC(F)F)N(C)C(=O)C(=O)NN	1974985628	ZQPYPORKWXTTJS-RXMQYKEDSA-N	223.223	-0.132	50	10	BBGE	
OB(O)c1cccc(F)c1OCC1COC1	1980866239	CALZXKATBHDTTP-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
CS[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1N(C)C	1980886346	CKFBOKAXFFVZQC-XHNCKOQMSA-N	246.380	-0.658	50	10	BBGE	
Cc1nn(C[C@H]2C[C@@H]2CF)c(C)c1B(O)O	1989258191	UFBVKMQETFLMBF-RKDXNWHRSA-N	226.060	-0.215	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2CC[C@H]2C1	1990745370	IGCKULPDETYDIX-ZJUUUORDSA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C(F)F)C1	1990775629	YDBJZSFUHFUTPN-ZETCQYMHSA-N	235.234	-0.259	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N(C[C@H]2C[C@@H]2Cl)C1=O	1991442038	KEYVWZIIRXJTDQ-NGJCXOISSA-N	246.650	-0.293	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1992141915	AHJORVHONMJVPH-CIQUZCHMSA-N	219.049	-0.980	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C)[C@H](C)C1)B(O)O	1992146126	QUQVWQNOOSSCLZ-MNOVXSKESA-N	226.129	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)C12CCC2	1993528940	PGCWQEQCXJMAKD-BDAKNGLRSA-N	227.308	-0.400	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)CC(=O)NNC(C)=O	1993828608	AHVTYOMRTLSQMB-JTQLQIEISA-N	223.276	-0.503	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]1(C)CCO	1994707650	RLXVTOVSPLSUBO-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CCC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1CO	1994827075	SMZVUDJHCYMBNS-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN1CCOC1=O	2004244905	CBZZQWDACBHNNW-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
COC[C@@H]1CCCN1c1ccc(B(O)O)cn1	2004911400	GPQQZMMOROHBFY-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)[C@@H]1CCOC1	2005013798	ATLQVRREGKWWEY-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
CCN(c1ncc(B(O)O)c(OC)n1)C1CC1	2005014239	ISGGPQRTMPQIIG-UHFFFAOYSA-N	237.068	-0.846	50	10	BBGE	
Cc1cc(CN(C)CCC(=O)NN)nnc1C	2013212745	FYZCULSOLQEEID-UHFFFAOYSA-N	237.307	-0.095	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)CCOCC(=O)NN	2015793019	XXVVSAJZVGPJBQ-NXEZZACHSA-N	245.323	-0.793	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@H]1CCOC1	2019604700	GGWNDGXPLNGEAD-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
Cc1c(O)cccc1C(=O)NCC=CB(O)O	2020068819	VSCFGRYYPJNZPZ-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
C[C@]1(F)C[C@H](Cn2cccc(B(O)O)c2=O)C1	2021389588	LVYVJQFVZSOCQU-JLIMDTESSA-N	239.055	-0.334	50	10	BBGE	
C[C@@H](CN1C[C@@]2(C)CC[C@@]1(CO)C2)C(=O)NN	2022074223	YGPBHUSQLYYSEQ-DLOVCJGASA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cc(F)ccc1COC[C@@H]1CCO1	2025712788	KGEHGWOGGVZZBH-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
NNC(=O)c1cccc(CN2CCO[C@H]3C[C@@H]32)n1	2051853711	LGHJGXWSXYBAMU-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@@H](C3)C2)nc1	2052469852	WGYSCUCMXXQHEF-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H](C3CC3)C2)nc1	2052472767	SRAGMEQVFQVYGP-JTQLQIEISA-N	247.107	-0.217	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)c(F)c1F	2212544440	OKYWTFTWLWEQJS-MRXNPFEDSA-N	249.047	-0.260	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954762	KWBRNZBDKRMKRI-AXFHLTTASA-N	240.351	-0.221	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@H]2C(=O)NN)[C@H]1CO	2215774913	YVGZXFYZQJJNDJ-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
Cc1cncc(Nc2ncc(B(O)O)cn2)c1	2217172363	JPOLWDZPPVNRPY-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
CC1(Nc2ncc(B(O)O)cn2)CC(F)(F)C1	2217176329	VBRHYMDAQDIEBV-UHFFFAOYSA-N	243.022	-0.244	50	10	BBGE	
OB(O)c1cccnc1NCC1[C@@H]2COC[C@@H]12	2217177341	HZCHXWZFQRISSO-IUCAKERBSA-N	234.064	-0.934	50	10	BBGE	
Cn1cc(CNc2ncccc2B(O)O)cn1	2217178036	QLYVONIJJBPQOL-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
C[C@H](CN)CCCOc1ccc(B(O)O)cn1	2217178829	BGWDKDFOROMBHV-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2217178904	CFGZFGUNLIWOSA-POYBYMJQSA-N	240.043	-0.653	50	10	BBGE	
CC[C@H](COC)Oc1cc(B(O)O)c(C)cn1	2217181287	ZRBLGXLBXHACCJ-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCOC[C@H]21	2217183460	IKXOGKLMCPYCSX-QXFUBDJGSA-N	234.064	-0.792	50	10	BBGE	
C[C@]1(N)CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217186337	IXFGEMPVNSHJDM-ONGXEEELSA-N	236.080	-0.590	50	10	BBGE	
CCC[C@H](CN)Oc1nccc(B(O)O)c1F	2217193029	RAZTWCFKLUVZGB-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CO[C@H](CNc1cc(B(O)O)ccn1)C1CC1	2217200898	BKUPBNVFSCLDRU-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
NNC(=O)C(=O)N1[C@H](CO)C[C@@H]2CCCC[C@H]21	2217332113	PKQAADVGBKZXAQ-XHNCKOQMSA-N	241.291	-0.872	50	10	BBGE	
C[C@H](N)C1CCN(c2ncccc2B(O)O)CC1	2223640428	WONSEMDBRJUGNV-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(NCc2ccnnc2)c1F	2223642263	HFBRXHMTQZXBEX-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
Cc1cnc(N[C@]23CCOC[C@@H]2C3)cc1B(O)O	2223651414	BZSILWRLFBXZSC-CABZTGNLSA-N	248.091	-0.339	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCNC2)cc1B(O)O	2223652336	IKEIHAZHLUROCK-JTQLQIEISA-N	249.123	-0.884	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@@H]1Oc1ncccc1B(O)O	2223652746	LCXBYWTWOIRGSO-NXEZZACHSA-N	248.091	-0.590	50	10	BBGE	
CC[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CN1	2223670231	UTQUYXLKDIRUGQ-GHMZBOCLSA-N	249.123	-0.296	50	10	BBGE	
CCN1CCC[C@H](Nc2ncccc2B(O)O)C1	2223672053	RTFIZTOEDCFCJD-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
C[C@H](O)CCNS(=O)(=O)N1CC(Cl)C1	2241332934	YWLKGIPJPKIEHK-LURJTMIESA-N	242.728	-0.485	50	10	BBGE	
CCC[C@@H](OC1(C)COC1)C(=O)NN	2242121963	KIVYPPOAGKNKKT-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cscc1B(O)O	2243347140	HUXRKIDTOFKHIW-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
O=C(NCc1ncccn1)C1(B(O)O)CC1	2243364267	UIDFNVOSSFHRKL-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382917	SDCTWCQJHXQBCP-PRJMDXOYSA-N	225.053	-0.366	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)[C@H]1C[C@H]1B(O)O	2243391383	KBLXVNDJZCSQEB-KZVJFYERSA-N	229.085	-0.485	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2243400118	WBKBIQADFLXPJM-KMLSVPJDSA-N	219.049	-0.885	50	10	BBGE	
N[C@H](CNC(=O)C1CC(B(O)O)C1)C1CC1	2243414300	XWRGMIIKRUXXPM-AMDVSUOASA-N	226.085	-0.907	50	10	BBGE	
CCOCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243419672	DNGRLJVGOKZCEL-DTWKUNHWSA-N	227.069	-0.656	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	2245130110	HHSAHQIILJOYQN-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
CCN(C)CCOc1cc(B(O)O)cnc1C	2246746454	ATWAVECJQFEECQ-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2247737921	LWJKJEUZGHEETF-HQJQHLMTSA-N	235.048	-0.559	50	10	BBGE	
CN(CC1[C@H]2CCCC[C@H]12)C(=O)C#CB(O)O	2247740436	KNOOCWHWDCSKIV-UWVGGRQHSA-N	235.092	-0.104	50	10	BBGE	
CCCN(C[C@H]1CCOC1)C(=O)C#CB(O)O	2247746728	CQGJJUAPTJVDQK-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
CCN(OC)C(=O)c1cc(C)cc(B(O)O)c1	2247752738	VARFAGNYECGYGR-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@]1(C)CO	2247756109	MFWGZMWECYDLPF-WCBMZHEXSA-N	241.096	-0.530	50	10	BBGE	
O=C1C[C@@H](C2CC2)CN1C(=O)C1(B(O)O)CC1	2247758347	VDMCKWDCACXERC-MRVPVSSYSA-N	237.064	-0.222	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)cs2)C1	2247794787	XNWBCOYDXVTUAH-OTSSQURYSA-N	249.100	-0.431	50	10	BBGE	
O=C(NCCCN1CCCC1)[C@@H]1C[C@@H]1B(O)O	2247804940	IUMKFYVSLANMDB-ZJUUUORDSA-N	240.112	-0.549	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCNCC1	2247806811	GIGCEOGWZNNMCO-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
COCC1=CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247808228	TZYKRKVLGFVMLM-ZJUUUORDSA-N	239.080	-0.346	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC(F)(F)C1	2247808606	VNOHBABYZZDAKT-XVMARJQXSA-N	248.038	-0.956	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CO[C@H]2C[C@@H]1C2	2247809065	NKZCQYFARPRMFD-MQIGXGKASA-N	239.080	-0.515	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)C#CB(O)O)CCO1	2247848139	HQIXHMYISWUXJF-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2247851465	YTUVNALCHOSDBP-XPUUQOCRSA-N	248.997	-0.294	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247852217	QLBBORGFIHGSFO-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC=C(F)C1	2247866635	PMIFYGMTEHOXLS-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
O=C(N1CC=CCC12CNC2)C1(B(O)O)CC1	2247872990	BWQQYVLZLKKWDP-UHFFFAOYSA-N	236.080	-0.876	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	2247877025	ATDYHYXWNANLCC-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891913	QJQUAUHNOFBPJR-AUXWQGHOSA-N	241.096	-0.077	50	10	BBGE	
CC(C)(C)[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247892899	JJXYCYNGBZNGAA-AMDVSUOASA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2OCC[C@@H]2C1	2247894620	IZEKEENCEAHJLY-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247896061	DNXMYLYJRUTUDE-TURQNECASA-N	239.080	-0.656	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](C2(O)CC2)C1	2247898945	IVCMYVBIDFZHIU-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
CCCOC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247900103	TUTQORNMZCKWTJ-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CNCC2(CC2)C1)[C@H]1C[C@H]1B(O)O	2247900404	WMMFWEWTLSWWTR-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
CCN(CC)C(=O)c1cc(B(O)O)ccc1O	2248032035	JRNSSIQSZZSAET-UHFFFAOYSA-N	237.064	-0.446	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C=CCC1	2248415098	UZFOUDGHAATXDB-MRVPVSSYSA-N	232.048	-0.334	50	10	BBGE	
C=CCC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248574138	PADWWWQFXHDDRE-RNJXMRFFSA-N	241.052	-0.615	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H]1CC(N)=O	2249305123	DOEWTOTVWUJUNM-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
CON(CC1CC1)C[C@@H]1CC[C@@H](C(=O)NN)O1	2251005598	CAFWDBQHGUVXTR-UWVGGRQHSA-N	243.307	-0.203	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1[C@H]2COC[C@H]12	2254022502	YVKRBRRPOMAEPE-UWVGGRQHSA-N	249.075	-0.659	50	10	BBGE	
Cc1cnc(N2CC[C@]3(O)C[C@@H]3C2)cc1B(O)O	2254025579	QTSDGCLYDWLQFG-SKDRFNHKSA-N	248.091	-0.969	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)c(C)c1	2255509330	JQMKAIKGKDXEDK-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
COC1CN(C(=O)c2cc(C)cc(B(O)O)c2)C1	2255512058	UCCGBHHLSJHUNI-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@@H]2C1	2255686443	RHYBJEXOOGPSMV-DTWKUNHWSA-N	248.091	-0.813	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]2CC[C@H]21	2255726578	VXZMHOQEBLJZRI-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1nc(C)ccc1B(O)O	2255728574	IMCVZUUJAYQORT-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)ccc1O	2256018329	LWMNDFDAIVJPFW-XVKPBYJWSA-N	249.075	-0.448	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1C=CCC1	2256679987	PPSIQDOQKJCRQV-SNVBAGLBSA-N	245.087	-0.051	50	10	BBGE	
CC(C)C[C@@](C)(CN)NC(=O)[C@@H]1C[C@H]1B(O)O	2298376374	ULZWLMAIASOLSN-KKZNHRDASA-N	242.128	-0.271	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]2C1	2298377145	GHTNPODTDLUTGJ-LOLPMWEVSA-N	239.080	-0.921	50	10	BBGE	
CNC(=O)CN(C)CCC[C@H]1C[C@H]1C(=O)NN	2300371911	NTGIFUSAMPNHHZ-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
C[C@H](N)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2301345716	JEUPGUINHSXBHE-YUMQZZPRSA-N	233.080	-0.614	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@H]2O)cc1B(O)O	2301452962	OOPMZBPMINRLPF-GHMZBOCLSA-N	235.048	-0.886	50	10	BBGE	
C[C@@H](COC1CC(n2cnnc2)C1)C(=O)NN	2301615339	XLYVGOLKRDJRFA-UEJVZZJDSA-N	239.279	-0.376	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@](C)(B(O)O)C2)no1	2303107902	CDNUILLQRGSNRU-VIFPVBQESA-N	239.040	-0.543	50	10	BBGE	
CC[C@](C)(Cn1ccc(O)nc1=O)C(=O)NN	2303434632	MQMBOSNFBVTUQH-SNVBAGLBSA-N	240.263	-0.645	50	10	BBGE	
CO[C@H]1COCCN(CC(C)(C)C(=O)NN)C1	2306804983	NVECHVHAHIUBPJ-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3CC[C@@H]2N3)c1	2312613961	UBLFKGWKBGNNKN-GDPRMGEGSA-N	247.107	-0.686	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]2CC[C@H]1C2	2312948829	CODCBQNZRLLNRD-OUAUKWLOSA-N	247.103	-0.036	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)N[C@@H](C)C(=O)O	2324969221	BTYHCIFPNMXOBH-ZETCQYMHSA-N	225.248	-0.019	50	10	BBGE	
NNC(=O)CCCNC(=O)c1ccco1	37388057	OMOSIHBQLXNSIO-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
O=C1O[C@H](CCl)[C@H]2[C@H](O)[C@H](O)CN12	39118361	PFDBLPDEHWWDQS-ARQDHWQXSA-N	207.613	-0.850	50	10	BBGE	
O=S(=O)(CCCCl)N1CCNCC1	58826983	LCEPBRKSMJIQLE-UHFFFAOYSA-N	226.729	-0.150	50	10	BBGE	
C[C@H](CC(=O)NN)NCc1cccnc1	58838542	QUWDGBHFEIWZNV-MRVPVSSYSA-N	208.265	-0.060	50	10	BBGE	
O=C(O)/C=C/C(=O)NNc1ncccn1	70632504	QLZFVJALQQUUQD-NSCUHMNNSA-N	208.177	-0.440	50	10	BBGE	
CS(=O)(=O)NCCNC(=O)CCCCl	70910322	HJCOGOGSVKVQMP-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
CC(C)N(CC(N)=O)S(=O)(=O)CCl	82511924	PNFARSGPPLMRRX-UHFFFAOYSA-N	228.701	-0.292	50	10	BBGE	
CCNC(=O)CN(C)S(=O)(=O)CCl	82512613	IOWUIAICMDQAPH-UHFFFAOYSA-N	228.701	-0.420	50	10	BBGE	
O=S(=O)(CCl)NCC1CC(O)C1	84449773	FKRBUAUBSWCVGC-UHFFFAOYSA-N	213.686	-0.127	50	10	BBGE	
CC#CCNC(=O)NNC(=O)C(F)(F)F	135332434	WURIXNWAHGGKPQ-UHFFFAOYSA-N	223.154	-0.098	50	10	BBGE	
O=C/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O	145722741	AZNZYQFJBBPJNK-XICSFPNLSA-N	214.217	-0.426	50	10	BBGE	
O=S(=O)(CCl)Nc1nnns1	166417634	FQSRYHOZMSUBAP-UHFFFAOYSA-N	214.659	-0.129	50	10	BBGE	
CCNc1cc([N+](=O)[O-])ccc1B(O)O	195875625	XXKRTNGMGSBHKP-UHFFFAOYSA-N	209.998	-0.294	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H](C)O1	199014031	ZLMMFGHXWANQJR-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H](C)O1	199014055	ZLMMFGHXWANQJR-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
CC(=O)Nc1ccc(C(=O)NN)c(O)c1	238079412	FKJNRAWXGYOVHE-UHFFFAOYSA-N	209.205	-0.046	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1C(=O)C=CC1=O	238638355	OYJCIMALNGXUJA-BYPYZUCNSA-N	203.581	-0.397	50	10	BBGE	
Nc1cc2cc(B(O)O)sc2cc1N	306591093	VIHKVYUYVTUEOK-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
NNc1cc(B(O)O)ccc1CCl	306599546	ROULRLDCQQAPEL-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
CN(C(=O)NC(=O)CCl)c1nnnn1C	307227267	WKYXDYUFOLWPMW-UHFFFAOYSA-N	232.631	-0.879	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1C[C@@H](O)CN1	307275713	SECUJAACFOAUJU-UHNVWZDZSA-N	227.091	-0.371	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1[C@H](C)C(=O)NN	307331517	PEJXNJBDRQSHST-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)CCC(=O)NN	385003858	WCOMTVPHLVFZSQ-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
CN(C)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	395799428	DWVNBLGQWAYVIO-SECBINFHSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)Cc1cc(CC(=O)O)ccc1B(O)O	396141041	YOGGNOZQRIDIKM-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
C[C@H](CN(C)[C@H](C)C[S@](C)=O)C(=O)NN	399986063	QWPVZMJBSDRXDG-PISXGGPESA-N	235.353	-0.689	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CCC1	404990997	UEEHJQZEKZYKSG-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cccn(C)c1=O	495764444	WVRLOLPNMNGNRW-UHFFFAOYSA-N	239.231	-0.272	50	10	BBGE	
CCCOC(=O)[C@H](C)[S@@](=O)CC(=O)NN	586371223	REFWKGWOWMFYCA-XHLQUELWSA-N	236.293	-0.933	50	10	BBGE	
NC(=O)NNC(=O)c1cnc(Cl)nc1	606284090	HFCSDICFABAPEO-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ccnn1C	689554241	SLBXEDDAIWKDJY-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
CC(C)C[C@H](SCCC(N)=O)C(=O)NN	695070995	RVGQCQINAUMNFZ-ZETCQYMHSA-N	233.337	0.000	50	10	BBGE	
COC1CC(C(=O)Nc2ccc(B(O)O)cc2)C1	703389654	HXSIGYLHFRPTSX-UHFFFAOYSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@H](CO)C1	704010958	MWRUBAMXHTWVJY-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1CO	708082280	SGHLDMFCDUQAMB-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CSC[C@H]2C1	711526742	UBSJTXSOGOSLSO-YIZRAAEISA-N	245.348	-0.714	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718261614	WRZMBBHRUSNCCS-FBDQPXRJSA-N	239.319	-0.136	50	10	BBGE	
CCCCC(=O)NCc1cnc(B(O)O)s1	718867202	ZZKKWFZPQUYGGY-UHFFFAOYSA-N	242.109	-0.371	50	10	BBGE	
O=C(CO)NNC(=O)c1csc(Cl)n1	781967199	AEALOCPPESVQTR-UHFFFAOYSA-N	235.652	-0.450	50	10	BBGE	
COC(=O)[C@H]1CCCC(=NNC(=O)C(N)=O)C1	794858391	HUKLLIQVKICVAA-LURJTMIESA-N	241.247	-0.693	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1	843657260	FRWXPVYJFYGYSJ-SFYZADRCSA-N	242.275	-0.262	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)C(=O)NC2CC2)[C@@H]1C	844570593	BTQIZYYIBVUNEP-RQJHMYQMSA-N	239.275	-0.208	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862886555	BXJJGRHZEIWPTL-RNJXMRFFSA-N	230.264	-0.264	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)C(=O)OC	908114462	ITJXVTMQWJDYLO-OVCGOVNKSA-N	202.210	-0.347	50	10	BBGE	
CC(=NNC(=O)CN(C)C)[C@@H]1COCCO1	1116266801	PCCKSVFDTRDTMH-VIFPVBQESA-N	229.280	-0.545	50	10	BBGE	
COCCC(=O)NNC(=O)[C@H]1CCCCO1	1460439977	XHNCZHOLPSXQGQ-MRVPVSSYSA-N	230.264	-0.261	50	10	BBGE	
NC(=O)CCC(=O)NNc1ncc(F)cn1	1631929233	HWIUOHWNQJUTEE-UHFFFAOYSA-N	227.199	-0.676	50	10	BBGE	
CON=CC(=O)NN=c1cc[nH]c(C)c1	1641047717	LJWJBITXRWOYBT-UHFFFAOYSA-N	208.221	-0.113	50	10	BBGE	
CN(C)CC(=O)NCCSS(C)(=O)=O	1643370355	WMCKIUCTUKISOO-UHFFFAOYSA-N	240.350	-0.643	50	10	BBGE	
C[C@H]1[C@@H](O)CN1C(=O)CBr	1880043563	DMXSRQMWYKFOLV-WHFBIAKZSA-N	208.055	-0.027	50	10	BBGE	
CONS(=O)(=O)CCOCCCl	1881216196	XFVBSBNGGZLICV-UHFFFAOYSA-N	217.674	-0.277	50	10	BBGE	
CS(=O)(=O)CCOC[C@@H](Cl)C(=O)O	1882959208	XILSWEJIHWFZIX-RXMQYKEDSA-N	230.669	-0.260	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N(CCO)CCO	1883634287	ILSYEDFSMVDVOZ-RNFRBKRXSA-N	207.657	-0.573	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@@H]1C[C@H]1Cl	1883639280	LGYBFOWBIWMZTQ-QWWZWVQMSA-N	201.617	-0.557	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H]1CO	1883647324	LBETXQDYCIINMK-UGQQDIOTSA-N	203.625	-0.099	50	10	BBGE	
[N-]=[N+]=NCc1cc(CN)cc(B(O)O)c1	1887520500	WVPRFXGBSBSQKA-UHFFFAOYSA-N	206.014	-0.365	50	10	BBGE	
CN(CC(CO)CO)C(=O)[C@H]1C[C@@H]1Cl	1893469831	MUUZZVZNYBXWKO-YUMQZZPRSA-N	221.684	-0.327	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1893473982	CRKVSXYCLQXWCL-HCWXCVPCSA-N	221.640	-0.736	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1895207633	IXCHJGVQFATPDR-JGKVKWKGSA-N	223.276	-0.378	50	10	BBGE	
CC1(O)CN(CCCCCCC(=O)NN)C1	1900666175	JUQADRRGBDFVQI-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
O=C([C@@H]1C[C@@H]1C(F)F)N1CC[C@H](B(O)O)C1	1902512925	PGRQXNPCAYFFFJ-LYFYHCNISA-N	233.023	-0.037	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1coc(B(O)O)c1	1904906795	NYDNJSWPUBDMOX-LJGSYFOKSA-N	227.000	-0.810	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C[C@@H]1F	1907073025	UFZNTRJMSULSLS-APPZFPTMSA-N	239.059	-0.659	50	10	BBGE	
C[C@]12CC[C@H]1CCN2c1ncncc1B(O)O	1907073234	YFLJMIBUMGLVCW-KWQFWETISA-N	233.080	-0.465	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911288667	OQQMYPVAJMTPAQ-LNFKQOIKSA-N	241.335	-0.439	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCOCC2)C1	1915590256	NDMFBGISIIXRTJ-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)CCCN1CC[C@@](F)(CO)C1	1917086355	HCZRXGLVKHDVAY-VIFPVBQESA-N	219.260	-0.837	50	10	BBGE	
CN1CC(N(C)CCCCC(=O)NN)C1	1928162953	VVYJENUBYPWSKA-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
CCCN(C[C@@H]1C[C@H]1C(=O)NN)OC	1928675095	JTRBQMLJJZAWIZ-JGVFFNPUSA-N	201.270	-0.114	50	10	BBGE	
CO[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)CCl	1931647710	POCDVEWVWNTONH-NKWVEPMBSA-N	242.728	-0.569	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1932374860	ZWQKMBSOTOMGKC-MAUMQABQSA-N	215.272	-0.098	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936088335	MKRPNKJBTZMFRD-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936089831	FJXWERFGDGMVKK-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
O=C(Cn1cnnn1)N1CCOC[C@@H](Cl)C1	1937160248	SDPKSPKEVYFNSW-ZETCQYMHSA-N	245.670	-0.861	50	10	BBGE	
CN1CCCN(CC2(C(=O)NN)CC2)CC1	1938246304	GTORONXQDYDEOK-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCCOC1	1938247356	RVLDJHRIZXLBGL-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCCCN1CCC(=O)NN	1940303090	KNTUCAAVXCJWFJ-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COC[C@@H]2C1	1941089911	MFPYCWOWXGBTNT-CHWFTXMASA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](C2CC2)CC1=O	1941093520	HGAPCAMAUZFTSE-KXUCPTDWSA-N	237.303	-0.129	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CC2)C[C@@H]1CO	1949623784	JSTVZUFCJNBFRV-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC2)C[C@H]1CO	1949696576	FQAJMCXPERNGCA-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
O=C(N[C@H]1C[C@H]1CCl)C1CS(=O)(=O)C1	1955094411	CMSIXZWWQDERNG-FSPLSTOPSA-N	237.708	-0.226	50	10	BBGE	
COC1CC2(C1)CN([C@H](C)C(=O)NN)C2	1959269424	HATBKVSVUOVCDC-SSDOTTSWSA-N	213.281	-0.524	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1cccc(B(O)O)c1	1965497757	PVRLCXLBAZUHKX-GHMZBOCLSA-N	245.087	-0.248	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCn2nccc2C1	1978924140	ZDSXHBHFRFJLDF-LURJTMIESA-N	223.236	-0.855	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1C(=O)C(=O)NN	1980856845	WEZSMUOUSXGZPO-SFYZADRCSA-N	229.280	-0.872	50	10	BBGE	
CN(c1cnn(C)c1)c1nc(B(O)O)cs1	1981472005	MJUFMHUFIIQYNP-UHFFFAOYSA-N	238.081	-0.676	50	10	BBGE	
CN(C)C(=O)C1CN(C(=O)NC(=O)CCl)C1	1983738471	ZQWGPECVJKXBLD-UHFFFAOYSA-N	247.682	-0.519	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C2CC2)C(=O)C1=O	1986913827	VCTYCISAUHILIV-ZETCQYMHSA-N	241.678	-0.049	50	10	BBGE	
CC[S@](C)(=O)=NCCN1CC(=O)OC(=O)C1	1987417878	KOPRDUHAHBAEFP-INIZCTEOSA-N	248.304	-0.511	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCSCC2)C1	1989132283	OUCVALQJKXISFW-QMMMGPOBSA-N	244.364	-0.902	50	10	BBGE	
C=C[C@H]1CN(CC(=O)NNC(C)=O)CCO1	1990745984	QKUNSKAGLHJYBD-VIFPVBQESA-N	227.264	-0.960	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H](O)c1cnc[nH]1	1991663668	WYNYYKLHDWXXGO-SSDOTTSWSA-N	243.650	-0.119	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]1Cl	1991678530	GKEYGSMGXSQCLJ-RKDXNWHRSA-N	239.467	-0.068	50	10	BBGE	
Cn1[nH]c(CCN)nc1=NC(=O)[C@@H]1C[C@@H]1Cl	1991685964	NTZGXPQFZIQCBG-RITPCOANSA-N	243.698	-0.696	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(B(O)O)cc1	1992836569	OAPOHPCYOBGRJM-UHFFFAOYSA-N	223.037	-0.394	50	10	BBGE	
CCN1CCN([C@@H](COC)C(=O)NN)[C@H](C)C1	1998400572	GYBVFCQMRACIGK-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H](CN1CC2(CC(N(C)C)C2)C1)C(=O)NN	2000466807	RVKMRZIQOVOMIR-VIFPVBQESA-N	240.351	-0.362	50	10	BBGE	
CCCn1ncnc1CN(C)CCC(=O)NN	2002657632	LSKFYFGWLSZXHV-UHFFFAOYSA-N	240.311	-0.500	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(C)(F)C1	2003506144	OPYGDOLICCLXDL-UHFFFAOYSA-N	241.270	-0.433	50	10	BBGE	
C[C@@H]1CCCCCN1c1ncncc1B(O)O	2004921460	WJMHAWRMXZXJHF-SECBINFHSA-N	235.096	-0.075	50	10	BBGE	
OB(O)c1cnc(OCC2CC(F)(F)C2)nc1	2004929776	NLIHJOGYLUWZDX-UHFFFAOYSA-N	244.006	-0.420	50	10	BBGE	
CCCc1cnn(-c2ccncc2B(O)O)c1	2004991675	UAYKGGTVDSMHBI-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC2(CC(O)C2)C1	2005809839	SSNMJTMZELAGET-YZRBJQDESA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	2012639640	MNJLAUAZARIGIL-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]1(OC)CCOC1	2013413122	FWHQBXDKANEICS-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C1CC1	2014001838	QNBGSZFPYIHVBN-OUAUKWLOSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@]1(C)OC	2023277651	BHDSQSZUUDYGEA-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1cocn1	2031815336	RYLWPAPVTYPNBF-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@H]1C(C(=O)NCc2ccccc2B(O)O)[C@H]1C	2043289821	MNAMOXZZYZGHHI-IUCAKERBSA-N	247.103	-0.115	50	10	BBGE	
CN1CCCN(c2ccncc2B(O)O)CCC1	2052470215	ATZIUAFZYSBATR-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1ccnc(N2CC[C@]3(CCO3)C2)c1B(O)O	2052470962	BNDUDPMGWNXUAB-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2052494597	OBOPCLDPDURVEO-OMHSBUABSA-N	244.103	-0.148	50	10	BBGE	
CN(C[C@@H]1CCCN1C)c1ccncc1B(O)O	2052499383	RZWUZGYZWXICKL-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCc1cc(F)cc([N+](=O)[O-])c1B(O)O	2060089653	JIZCNVGPYLTMTO-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCCN(C)C1CN(c2ncccc2B(O)O)C1	2072408642	SWSCSJLMCDHNFZ-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CN1CCC[C@@H]1COCc1cccc(B(O)O)c1	2080316982	XUWSFROVMWUESP-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
O=C(NC1CC1)c1c(F)cc(B(O)O)cc1F	2081214320	IMMFRDFYMGZGRO-UHFFFAOYSA-N	241.002	-0.463	50	10	BBGE	
C=CCOC(=O)Nc1ccnc(B(O)O)c1	2212130231	UUUXGMOUJJRSNU-UHFFFAOYSA-N	222.009	-0.504	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C(=O)N1C	2216487254	HGJLOCLOLHGSBP-QMMMGPOBSA-N	240.307	-0.098	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CCO)CCC1	2216528452	PBVLQOVQORCTFK-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
NCC[C@@H](Oc1ncccc1B(O)O)C(F)F	2217174841	ZMROWAJXYKQIAQ-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1(CN)CCC1	2217175994	QDPOSTJRSGAMSW-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
C[C@H]1CO[C@@H](CNc2ncccc2B(O)O)C1	2217176993	DAHYHTVWXGDOCZ-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
CCC[C@@](C)(CN)Oc1cc(B(O)O)ccn1	2217193480	NBYVEOPHNGXVIC-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1cc(B(O)O)ccn1	2217199274	BLJXSCRLFIOLNX-BDAKNGLRSA-N	238.071	-0.197	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2CC[C@@H]2C)n1	2220614113	VWZZPENQCZBDFV-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
NCC1(Nc2cc(B(O)O)ccn2)CCCCC1	2223643184	SHJARSUHBWIJLZ-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1Nc1ccc(B(O)O)cn1	2223670114	STKVHXLWERQDNU-RKDXNWHRSA-N	249.123	-0.583	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](Nc1ncccc1B(O)O)C2	2223674259	OOFYXYBVDRHQFZ-HOSYDEDBSA-N	248.091	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC(C1CC1)C1CC1	2224025305	GKAOQPZYZZSHRD-UHFFFAOYSA-N	248.091	-0.641	50	10	BBGE	
O=C1COC2(CN1)CN(CCBr)C2	2242226688	YIUJCCVGXOXGFP-UHFFFAOYSA-N	249.108	-0.418	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2242798737	NUJFGRZJUHGUAV-XKNYDFJKSA-N	246.694	-0.422	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C(C)(C)C	2243348464	XZDDDLINZGOGPD-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2243362133	MUHPMNWZGKPVNF-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
O=C(NCCF)c1cc(Cl)ccc1B(O)O	2243367009	MBGDROBYHYOUGW-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)C1(B(O)O)CC1	2243370659	ZZLVBWWCNPFBBF-VIFPVBQESA-N	227.069	-0.369	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243391377	KAUQQJVNLBRTGJ-UYXSQOIJSA-N	229.085	-0.485	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1coc(B(O)O)c1	2243399147	XQCAIIZZHOLXNK-HTRCEHHLSA-N	223.037	-0.512	50	10	BBGE	
CCC[C@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418004	YUDVEXNBTBHDJS-YIZRAAEISA-N	228.101	-0.517	50	10	BBGE	
C=C=CCC(=O)NCc1ncc(B(O)O)s1	2243678742	NIYGEGSAFUCSFU-UHFFFAOYSA-N	238.077	-0.830	50	10	BBGE	
C#CC1CC(NC(=O)c2ccsc2B(O)O)C1	2247748553	FWWFDLDYDSKTII-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787189	LZIILFPTCUURJP-LURQLKTLSA-N	237.064	-0.366	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247796573	AVYAARPVIXWEPC-OPRDCNLKSA-N	242.128	-0.271	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@H](C)N1C	2247800177	LZDLHGJKHKFZOV-QCLAVDOMSA-N	240.112	-0.600	50	10	BBGE	
O=C(NC[C@@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2247804149	FLVMFYYMUHRCHP-FHNUBNKASA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1CC[C@](CO)(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808939	NFLLFDQRRRYNEX-CDLYGTGVSA-N	241.096	-0.483	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247809566	ZQUSWTPMBWOTHN-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1N(C)C(=O)C#CB(O)O	2247846809	MOBXRUXPZUFPOL-ZJUUUORDSA-N	239.080	-0.869	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)CO1	2247857613	WDTOXEIMELNJSH-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC(C)=CCNC(=O)c1ncccc1B(O)O	2247868958	JKUJZDRWJMNWSB-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C1CCNCC1	2247879211	RKEQFKLESBJNKS-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
CC1=CCCN(C(=O)c2occc2B(O)O)C1	2247879809	XVNDROBAXLUKFZ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2247887700	QXSGXYCWSZUXKY-QXEWZRGKSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)N1C	2247896916	LZDLHGJKHKFZOV-KYXWUPHJSA-N	240.112	-0.600	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]c1	2247897747	WPGJJSVCBKOGHD-SFYZADRCSA-N	231.020	-0.823	50	10	BBGE	
CNC1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247899298	MDZXYZGOYCBFFE-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2CC(B(O)O)C2)[C@@H]1O	2247904235	OZPHMHHTDRAGOU-PEBLOWIWSA-N	241.096	-0.485	50	10	BBGE	
CCN(CC)C(=O)CN1CCC(B(O)O)CC1	2249379007	SKCZLHCFZSZGSL-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)C	2250575894	VOJOOVAMMQZHHH-XHNCKOQMSA-N	243.112	-0.143	50	10	BBGE	
CN(C)CCCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2250846332	KVFIAISRAYGWMU-ZJUUUORDSA-N	242.128	-0.303	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)oc1C)C(C)C	2255448909	IAEOMIYDXFZBRC-UHFFFAOYSA-N	249.075	-0.248	50	10	BBGE	
O=C(NC1(CC2CC2)CC1)c1cc(B(O)O)c[nH]1	2255473519	MCHNXVQUGLVGGD-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
O=C(Nc1cnc2nccn2c1)C1(B(O)O)CC1	2255480408	YVJZZSYEVKBDMB-UHFFFAOYSA-N	246.035	-0.325	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(F)cc1B(O)O	2255497867	IWSNIQNOGQKLEW-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1nc[nH]n1	2255510336	VQSDBXSLOOMEBO-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@]12CCCC[C@@H]1C2)c1n[nH]cc1B(O)O	2255547762	PDKLAFRVLOQDJL-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
C=CCC1(NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255672066	ALTSQGIBMVROQH-UHFFFAOYSA-N	248.091	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CC=CCC1)c1cc(B(O)O)n[nH]1	2255690270	YMOXDPAYYFECAT-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
NCc1ccccc1CNC(=O)C1(B(O)O)CC1	2255691190	LPEWCDUWOUOIFF-UHFFFAOYSA-N	248.091	-0.232	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cccc(B(O)O)c1F	2255746272	XLBCMMUQWCNWTB-BQBZGAKWSA-N	249.050	-0.356	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1cc(B(O)O)co1	2258153888	YVDGZXVLCQYKJA-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@@H]2CC1=O	2298165385	YIUQBBJSSJJZCF-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
N[C@H]1CCCC12CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370088	NYQHKZVOUBDGNV-HLTSFMKQSA-N	238.096	-0.811	50	10	BBGE	
CN(CCCCCCC(=O)NN)CCC(N)=O	2300627743	FWJGAMGJBREMPP-UHFFFAOYSA-N	244.339	-0.266	50	10	BBGE	
C[C@@H](OC[C@@H]1COC2(CCC2)CO1)C(=O)NN	2301335171	DOMMWSANIYQDSZ-RKDXNWHRSA-N	244.291	-0.281	50	10	BBGE	
O=C(CN1CCCCC1)N1CC[C@H](B(O)O)C1	2303115730	WPIJXCOQDGQTHR-JTQLQIEISA-N	240.112	-0.452	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CCNC(=O)C2)C1	2303145117	UEHKBRUCXPSACB-ONGXEEELSA-N	240.112	-0.549	50	10	BBGE	
C[C@@H](CN1CCCN(C2CC2)C1=O)C(=O)NN	2307748713	CHKMJZMHFUWQJY-QMMMGPOBSA-N	240.307	-0.098	50	10	BBGE	
C[C@H](CO)CN(C)c1ccc(B(O)O)cc1C#N	2317151197	NZBUKIRKEHXNJA-VIFPVBQESA-N	248.091	-0.697	50	10	BBGE	
CCC[C@H](CN)Nc1ccc(B(O)O)cc1C#N	2317167463	HTPNJLQRGOBCIL-LLVKDONJSA-N	247.107	-0.223	50	10	BBGE	
COCCCNC(=O)CCCC(=O)NN	58853371	HSESCFUUWVRJPZ-UHFFFAOYSA-N	217.269	-0.701	50	10	BBGE	
O=C(CCl)NCCN1CCNCC1	83344548	UIKREHRRHITLCW-UHFFFAOYSA-N	205.689	-0.753	50	10	BBGE	
CCN(CC(C)(C)O)[C@H](C)C(=O)NN	86275189	IIYCDAIDVIBJFT-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CN1C2=CC(=O)/C(=N/NC(N)=O)C=C2C[C@H]1O	106119406	PAMAFHWPAJOJTP-TZZQWBKVSA-N	236.231	-0.942	50	10	BBGE	
CC(C)(C)OC(=O)NNC(CO)CO	118270592	JMHFFCOLSXJXDP-UHFFFAOYSA-N	206.242	-0.631	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)NNC(N)=S	125183575	YPNLXPXZJXLHBK-RFZPGFLSSA-N	203.267	-0.724	50	10	BBGE	
CC[C@H](SCC(=O)NNC(C)=O)C(=O)O	162266745	KNHOJWBELSUMEZ-LURJTMIESA-N	234.277	-0.250	50	10	BBGE	
COC[C@@H](C)Oc1cc(F)ccc1B(O)O	211683223	IQHKPFYNXVNWPN-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CC(=O)NC	211750410	SHINANXQDCZQAR-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
CS(=O)(=O)N1CCCCC[C@H]1CC(=O)NN	217988242	MKBNSEFREPECKV-QMMMGPOBSA-N	249.336	-0.429	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCNCC1	226467548	WTSFWZIDORLXIL-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
C=C(C)CCO[C@@H](COC)C(=O)NN	232418736	UWXBULPWFISRDG-QMMMGPOBSA-N	202.254	-0.026	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCN1CCCC1	232419426	FIFWGCOVWUTLTK-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CCCN(CCN(C)C)[C@H](COC)C(=O)NN	232419849	BJLXHEDOGGNCAX-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)C[C@@H]1C	233293771	KHYJLZFULGKJBQ-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CN(C)CCCN1CCCC(=O)NN	235618011	SVXBSFDOKZEHDL-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
NC(=O)C[C@H](Cl)[C@@H](Cl)CC(N)=O	238554863	VGTNTNKHQYLNLY-IMJSIDKUSA-N	213.064	-0.048	50	10	BBGE	
CNNC(=O)Cc1ccc2c(c1)CC(=O)N2C	258948620	DOXUPZYOQFCSMB-UHFFFAOYSA-N	233.271	-0.001	50	10	BBGE	
C=CCCCC(=O)NNC(=O)[C@H]1COCCO1	267259409	SXCOIYYELOHIDU-SECBINFHSA-N	242.275	-0.095	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCCOC1	300020867	RYWKCCXRJFGJRB-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)C[C@H]1C	300354292	FFPCYPIYPVKRJM-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
NNC(=O)CCCSCC(=O)NC1CC1	300780641	BKWIBZYGVFCUEK-UHFFFAOYSA-N	231.321	-0.232	50	10	BBGE	
O[C@@H]1CO[C@H]([C@H](Cl)CCl)[C@@H]1O	307264798	CMNHSCHIWCYDLB-KVTDHHQDSA-N	201.049	-0.047	50	10	BBGE	
O[C@@H]1[C@H](F)O[C@H](CCl)[C@H](O)[C@@H]1O	307516914	TWUKFHBIOCRRBD-QBFJYBIGSA-N	200.593	-0.998	50	10	BBGE	
NCCCNc1nc(N)nc(CCl)n1	308514899	URJDKXVJEAYYTF-UHFFFAOYSA-N	216.676	-0.047	50	10	BBGE	
Cc1nn(-c2ccnc(F)c2)cc1B(O)O	309353927	GPFWCTPXQOUWCN-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN2CC[C@H]1C2	381793872	OASPOGYMMFCPMT-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CC(C)CCC(=O)NN[C@@H]1CNC[C@H]1O	382014219	NQKOATBLWXRDPT-RKDXNWHRSA-N	215.297	-0.624	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@@H](C)CC(=O)NN	385965500	ZMAMQNCTDWVAHD-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)CC(=O)N1	395803786	HHMNHEYSRDUMKC-APPZFPTMSA-N	242.323	-0.789	50	10	BBGE	
N#CCCc1cc(CC(=O)O)ccc1B(O)O	396132243	IYTKMVIUJWOPCQ-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
Nc1c(CO)ccc2cc(B(O)O)sc12	396249854	NTGMFRJVZKLRQE-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1ccc(B(O)O)c2c(CO)csc12	396332381	GEQXRVAWSUGPIX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1ccccc1B(O)O	404917787	QSBJWMQVZMTVHB-WCBMZHEXSA-N	233.076	-0.361	50	10	BBGE	
CCC[S@@](=O)NCc1ccc(B(O)O)cc1	404959918	PBXFWSADJCDJPE-MRXNPFEDSA-N	241.121	-0.470	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)NCc1cccc(B(O)O)c1	690064607	BXVDJMHZNUBEDA-WDEREUQCSA-N	249.075	-0.983	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1OCCc2ccccc21	700878810	HRZGPAHNGGNIJU-SECBINFHSA-N	235.243	0.000	50	10	BBGE	
Cc1c(O)cccc1C(=O)NCB(O)O	701953001	YIFTVQZOAIWYQG-UHFFFAOYSA-N	209.010	-0.558	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ncnn1C	707410667	CKOJYWDFUMSEJZ-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
Nc1nc(CCl)nc(N[C@H]2CCNC2=O)n1	710373635	OJMFXLXKPDXEKK-BYPYZUCNSA-N	242.670	-0.507	50	10	BBGE	
C#CC[C@@H](COC)N1[C@H]2CC[C@H]1C(=O)OC2=O	716916401	OUZQIIJGLUBJNI-GUBZILKMSA-N	237.255	-0.059	50	10	BBGE	
O=C(CBr)NCC1(CO)COC1	717598330	QGFMZYZCBOFYIM-UHFFFAOYSA-N	238.081	-0.494	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2COC[C@H]2C1	718159062	GKQJAPZEGCFRDO-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
C[C@H]1C[C@@H]1COc1cncc(B(O)O)c1	722897658	QWMKCAYOAWHFAH-JGVFFNPUSA-N	207.038	-0.204	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@]1(C)CO	723022333	OGBCNMGGWLTQLY-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
O=[N+]([O-])[C@@H]1C=CC([C@@H]2NN=C(CCl)O2)=[S+]1	725562545	PZZWZXCOIGMLLH-NKWVEPMBSA-N	248.671	-0.088	50	10	BBGE	
CNNC(=O)C1=CSC(=[N+]([O-])O)C1	725598361	KNUWOJIHGUOUER-UHFFFAOYSA-N	203.223	-0.444	50	10	BBGE	
CSCCC(=O)NNC(=O)c1cnn[nH]1	729456244	YHOCQBUNVZXZLB-UHFFFAOYSA-N	229.265	-0.681	50	10	BBGE	
CC[C@H](NNC(=O)c1cn(C)nn1)C(=O)OC	849321343	CHEGGMYCPWDUMQ-LURJTMIESA-N	241.251	-0.999	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCCS1	854985387	QKLHELSRQDQENO-OIBJUYFYSA-N	244.316	-0.034	50	10	BBGE	
C/C=C/CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858701279	KPEJSNSAWUNNKM-TYWZFMJISA-N	240.263	-0.829	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1nccnc1N	1143340338	CRONOFNEANZAFC-ZCFIWIBFSA-N	225.252	-0.984	50	10	BBGE	
O=C(NCc1ccoc1)c1cccc(B(O)O)c1	1292228825	QZYDWAVOFKICOC-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](C)CC(N)=O)n1C	1330108226	NMBYDKLLPPWVFX-RXMQYKEDSA-N	240.267	-0.922	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1ccnc2[nH]nnc12	1440592007	AELPVJQYIIOJTA-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1csnn1	1464553042	XEFZXMYIDKZVIJ-UHFFFAOYSA-N	215.238	-0.546	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc(CF)cc1	1558958038	IMUZIGBWHNTMHD-UHFFFAOYSA-N	226.207	-0.091	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)NC1CC1	1583458314	IFWMASVSHHWIAC-IYSWYEEDSA-N	208.221	-0.361	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cc[nH]n1)n1cccn1	1645303773	BKEUYVRFMFGAJV-SSDOTTSWSA-N	248.246	-0.372	50	10	BBGE	
CNNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O	1880030275	KOYBDZAMRDHIBZ-NKWVEPMBSA-N	247.295	-0.489	50	10	BBGE	
C#CCCC(=O)NN(C)S(C)(=O)=O	1888564021	WBUFXYQRQMMCMK-UHFFFAOYSA-N	204.251	-0.678	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1O	1897273531	YOSZVULSNMDMNF-SSWUGZLXSA-N	247.678	-0.348	50	10	BBGE	
CN(C[C@@H]1CCC1(F)F)C(=O)C#CB(O)O	1899477864	WEFYLEZRZAVPDR-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
O=C1[C@H](F)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	1901657932	LQPGEHIUGAXMMC-FSDSQADBSA-N	229.016	-0.664	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2OC	1901880135	VEWGMFIAYQGNQH-UTINFBMNSA-N	227.308	-0.136	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCn2cccn2)C1	1902511113	FHQDQVBKGVFAKT-SNVBAGLBSA-N	223.085	-0.178	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnco2)C1	1902522395	QBUQXXJADNSLHE-VIFPVBQESA-N	224.025	-0.246	50	10	BBGE	
C[C@@H](O[C@H](C)C(=O)NN(C)C)C(=O)O	1906804231	ZEJATWDCECEJLF-PHDIDXHHSA-N	204.226	-0.543	50	10	BBGE	
COC[C@H](C)OC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909804616	GYSAWQJANJDOIP-GUBZILKMSA-N	246.307	-0.035	50	10	BBGE	
CC(C)[C@@H]1CCN(CCC(=O)NN)C1=O	1914827020	JLZZDJUNQOLEHO-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
COCC1CN([C@@H](C)CC(=O)NN)C1	1916281027	GVJWKLWWPDMXOO-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H]2C1=O	1927913231	HBWRXOCMZHMNCL-ULAWRXDQSA-N	209.249	-0.909	50	10	BBGE	
OC[C@H](O)[C@@H]1COCCN1CCCCl	1928574425	WBKAVADXJACTDT-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COC[C@H]1Cl	1928685313	ODUMKNRKFASAJO-RNFRBKRXSA-N	230.655	-0.600	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C(F)F)C1CC1	1928788502	CHKWMOQLKFCVFG-BYPYZUCNSA-N	207.180	-0.864	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNCCO	1929835755	XMLDBKUQRWCRMQ-SFYZADRCSA-N	202.254	-0.728	50	10	BBGE	
CC[C@@H](COC)CC(=O)NNC(N)=S	1932154547	FZRZFAXKNMDAKA-ZCFIWIBFSA-N	219.310	-0.087	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@]2(CCO2)C1	1932811297	AYZOHKUQJGJURQ-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
C[C@H]1CCO[C@@H]1CC(=O)NNC(N)=S	1935365632	SIJRAGSDWDJEAV-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
CC(C)(CN1C[C@H](C2CC2)[C@@H](O)C1)C(=O)NN	1943089326	LRFXNUKROLXWLZ-ZJUUUORDSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCN(C)CC2)C1	1947138486	NEBMGHUDAYIHLF-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cccc(-c2nn[nH]n2)c1	1952956946	RDOYNOOHWDRSBS-RKDXNWHRSA-N	230.231	-0.249	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@H](O)C[C@H]1O	1953618351	FHIDSOKGPBUSSM-KVQBGUIXSA-N	238.081	-0.618	50	10	BBGE	
C[C@H](Cl)CC(=O)NC(C)(CO)CO	1954239474	OAWKRNXPKPQWGU-LURJTMIESA-N	209.673	-0.137	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550533	XCWDVOHOUIVHMQ-IMFYSGRJSA-N	219.668	-0.434	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550544	XCWDVOHOUIVHMQ-QYYLWSOASA-N	219.668	-0.434	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H](COC)C(N)=O	1955570599	ZEOUKPYTOMCSBD-PHDIDXHHSA-N	222.672	-0.380	50	10	BBGE	
CCN([C@@H]1CCNC1=O)S(=O)(=O)CCl	1956858236	LOGVVXMSGQFVOM-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@]2(C(=O)O)C[C@H]12	1958833890	RDOWOLKZDQMYQW-HCVRKRLWSA-N	213.237	-0.375	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1975527875	VOFADMVAXAJNNX-WCBMZHEXSA-N	233.287	-0.449	50	10	BBGE	
Cc1nccn1CCN(C)[C@@H](C)C(=O)NN	1976566646	CCPQLPXDAORVJW-QMMMGPOBSA-N	225.296	-0.498	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC=C(CO)CC1	1980961174	MNXBGMJHSJRPPG-RKDXNWHRSA-N	227.308	-0.375	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C)(C)C1	1981469184	OBMGYUAMWDXEMT-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H](O)C1CN(CCC(F)(F)C(=O)NN)C1	1984130837	ZKVJJUAZYRGRRU-ZCFIWIBFSA-N	237.250	-0.686	50	10	BBGE	
Cc1nn(C)cc1OCC(F)(F)C(=O)NN	1986050353	VDRJKDXGZMTJNJ-UHFFFAOYSA-N	234.206	-0.267	50	10	BBGE	
OB(O)c1cnn(CCOCCC2CC2)c1	1986376387	MMOFAZVRFGXRRO-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
CO[C@@H]1C[C@@H]1Cn1nc(C)c(B(O)O)c1C	1987769111	DETAQKZYVFLGEZ-RKDXNWHRSA-N	224.069	-0.785	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC#N)C(C)C	1990774175	FVNBLGUOCDRJBN-UHFFFAOYSA-N	226.280	-0.222	50	10	BBGE	
NCCO[C@@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991652450	NNXBFPGIRZEFLM-MRVPVSSYSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CCCNC1=O	1991655628	YDNVGBHVCITPDV-SSDOTTSWSA-N	244.678	-0.050	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@@H]1C(=O)O	1991693070	LCVFMPZPXZZRJQ-GJMOJQLCSA-N	246.694	-0.159	50	10	BBGE	
COC1(CC(=O)NCC#CB(O)O)CCC1	1992153014	KQFSBGXFEAOJID-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C=C(CN1CCCN2CCC[C@@H]2C1)B(O)O	1992153623	QKUXSFLWKIHWNZ-LLVKDONJSA-N	224.113	-0.275	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@]12CCCOC2	1992177344	ABTXLYBSNTUXGU-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C12CCC2	1993529697	YKMHFUGUOIYCPW-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CCc1noc(CN(C)[C@@H](C)CC(=O)NN)n1	1997741055	WKSQGEKICNIUGX-ZETCQYMHSA-N	241.295	-0.168	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)[C@H]2C[C@H]21	2002907875	FHKLTOFTIHHWRJ-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
Cc1nc(CN(C)CCOCC(=O)NN)co1	2003809766	CBULFQNQJBAQDG-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2CN(C)CC[C@@H]21	2004306103	DWVQQYLDDXQUQD-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CN(CCOC1CC1)c1ccc(B(O)O)cn1	2004917013	SRNXJHLSGSWJOC-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@H]3C2)ccc1B(O)O	2005017353	DBDYXKNXXVVILC-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2nncc2C1	2013645566	ZFEIBGDBZNSSMU-MRVPVSSYSA-N	238.295	-0.748	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2CCO[C@H]2C1	2019176455	IHRDZYJZFSBNOW-UWVGGRQHSA-N	241.291	-0.736	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)[C@H](C)C1	2019215334	VEYYFPABLWLYFQ-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3OC)B(O)O	2021164781	MDUKCIKDIQFFAP-SVNGYHJRSA-N	237.108	-0.090	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H](CO)CCC1(C)C	2025411875	FWLHHCANRRGFPZ-VIFPVBQESA-N	243.307	-0.611	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1Cc2cncnc2C1	2025620774	CQFYMPCUGMGZIF-QMMMGPOBSA-N	235.291	-0.049	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1cccc(B(O)O)n1	2025665190	ZLPZIQYGROCIOE-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
CN(C)C1CN(Cc2cncc(C(=O)NN)c2)C1	2027482437	PFHVNPSDBVYRJT-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
CCOc1cc(F)c(B(O)O)cc1OC	2056223217	POPKUDSVASPBNO-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCOc1cc(OC)c(C#N)cc1B(O)O	2060204780	JGMRWWWMTRIYGG-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1c(C#N)cc([N+](=O)[O-])cc1B(O)O	2060308258	YYVKTHWULGHSLJ-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	2079520041	SGKUYRIKZMTIEO-NXEZZACHSA-N	248.091	-0.008	50	10	BBGE	
O=C(F)N1CCN2C(=O)COC[C@H]2C1	2209873592	VLAMOOLWSLSAOI-ZCFIWIBFSA-N	202.185	-0.381	50	10	BBGE	
OCCCSc1ccc(B(O)O)cn1	2210066083	RVKFOAINCNWHNI-UHFFFAOYSA-N	213.067	-0.764	50	10	BBGE	
O=C(CCn1cnnn1)NCC#CCCCl	2210514009	IXWQOVVHTMZIRY-UHFFFAOYSA-N	241.682	-0.188	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1cc(B(O)O)cs1	2211072861	SGZYTSPWSKQFJH-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
C=C(F)CN(C)c1nccc(B(O)O)c1F	2212603493	GYDBOWVBHHLSAP-UHFFFAOYSA-N	228.007	-0.180	50	10	BBGE	
CC/C=C\CN=c1cc(B(O)O)c(C)c[nH]1	2212606691	YIFNVOABKPNSDF-PLNGDYQASA-N	220.081	-0.130	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2212613382	VDXSOMZMNXMTGZ-KCJUWKMLSA-N	218.065	-0.392	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1CN(C)C2	2213954921	OBWRORCTYDECPI-DBIOUOCHSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1CO	2215776082	KTQDOEKNYZWVNM-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H]2CC1=O	2215778289	YIUQBBJSSJJZCF-UTINFBMNSA-N	237.303	-0.129	50	10	BBGE	
COC[C@]12CN(CCC(=O)NN)C[C@@H]1CCO2	2217035992	FQOGOJABPXWJEW-GXSJLCMTSA-N	243.307	-0.896	50	10	BBGE	
CCC[C@@H](CNc1cc(B(O)O)ccn1)OC	2217175062	CNKLTRXPSVHNPG-JTQLQIEISA-N	238.096	-0.012	50	10	BBGE	
CC1(C)[C@H](O)CCN1c1ncccc1B(O)O	2217175352	HQTXEUBTBDQXRK-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1Nc1ccc(B(O)O)cn1	2217177259	HGCXSEIWXFPASO-RKDXNWHRSA-N	236.080	-0.667	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]2C(F)(F)F)nc1	2217201155	OJAXKACWBWNAQU-RITPCOANSA-N	246.985	-0.481	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCO1	2217204887	QEHVHCCGGJJAGJ-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2CC[C@@H]2C)c1B(O)O	2220611633	GBOUKLVRKZALLZ-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccnc(N2CCCCC23CNC3)c1	2223637566	GAADNSRIUXOKIG-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1Nc1ccc(B(O)O)cn1	2223640865	ZITRXKUEEWTILB-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCNC1	2223669412	JMTLTKWNEAQKRN-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)[C@@H]1C)C(=O)NN	2242162303	LPLCSRWGJQAZLL-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@H]1CC[C@@H]1O	2242387558	DPVKHYPJGBDACU-NGJRWZKOSA-N	216.306	-0.131	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCCCC[C@H]21	2243348916	BXYCSYPZACMNPE-JZYVYDRUSA-N	221.065	-0.303	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C#CB(O)O)CCS1	2243349687	OZEPRDGQUHMIJJ-IUCAKERBSA-N	241.121	-0.350	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ncsc1B(O)O	2243359339	RDHAUPNFLDESLN-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)C1(B(O)O)CC1	2243365057	HLEZYBSIOJGVHE-QMMMGPOBSA-N	226.085	-0.891	50	10	BBGE	
CN(C[C@@H]1CCN1)C(=O)C1CC(B(O)O)C1	2243392067	QZMFXDWBOSJGJH-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
O=C(NC1CCC(O)CC1)[C@H]1C[C@@H]1B(O)O	2243396668	PHLAFVDRGYAXRS-PEBLOWIWSA-N	227.069	-0.731	50	10	BBGE	
C/C=C/CNC(=O)c1ccncc1B(O)O	2243408604	QDNCRBVXQASORL-NSCUHMNNSA-N	220.037	-0.933	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CC2)[C@@H]1O	2243409339	GESJYGCSEGKTIR-RQJHMYQMSA-N	227.069	-0.731	50	10	BBGE	
C=C(CC)CNC(=O)c1csnc1B(O)O	2243420786	ZJQWTXNRVJPKGY-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
OB(O)c1csc(OCC23CC(CO2)C3)n1	2245221704	MCBNHWQRZPCDAG-UHFFFAOYSA-N	241.077	-0.619	50	10	BBGE	
CC1(C)CC[C@@H]1Cn1cc(B(O)O)cnc1=O	2247397170	GUOKMAOFQIYKMJ-MRVPVSSYSA-N	236.080	-0.641	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCOC2(CCC2)C1	2247744518	UIWUXSNWSLAGFS-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
CCN1CC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247753167	CFYMJZDKPVHCIB-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1C[C@@H]1C	2247760364	HCLRJGXCDKNJNV-WRWORJQWSA-N	233.076	-0.187	50	10	BBGE	
CC[C@H](NC(=O)c1n[nH]cc1B(O)O)C(C)C	2247782661	WNFUXSKLFAMNJK-QMMMGPOBSA-N	239.084	-0.746	50	10	BBGE	
COC12CC(C1)N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247788124	ZPVRSQLHKAATPC-REMFIFCHSA-N	239.080	-0.371	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@H]1C[C@@H]1B(O)O	2247798262	RTVNCXGCNUMPGM-WBBBMGQGSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247807028	GZENEMNNNUQUPY-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
CO[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807340	QQTCDMPRANKCLO-BWZBUEFSSA-N	241.052	-0.987	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(n2cccn2)C1	2247810474	XSRMUNADZFJROH-DTWKUNHWSA-N	235.052	-0.871	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CC[C@H](O)CC1	2247852087	OQMSUTIAPNULMX-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](CN(C)C(=O)C#CB(O)O)OC(C)(C)C	2247852315	SCCGHIVVMMGNLM-VIFPVBQESA-N	241.096	-0.336	50	10	BBGE	
O=C(NCCN1CCCO1)C1(B(O)O)CCC1	2247856676	MBWKJWIVHYVAFU-UHFFFAOYSA-N	242.084	-0.863	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccoc1B(O)O	2247868748	XVZSPRXLSMNJCC-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1coc(B(O)O)c1	2247870972	TZXAELUUWMWJEJ-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C(=O)C2(B(O)O)CC2)C1	2247880069	YCCBSGCVPWWTCD-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(CCCO)C1	2247898048	ZWERPUOCAGCTCK-MGCOHNPYSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1CNC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904086	OSONMCHHWVHELB-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1COCC1(F)F)[C@H]1C[C@@H](B(O)O)C1	2247909165	GBIHGWDVBDTJOG-DSYKOEDSSA-N	249.022	-0.610	50	10	BBGE	
O=C(NCC(F)F)c1cc(B(O)O)ccc1O	2248027839	AWVMRFLANFSGRT-UHFFFAOYSA-N	244.990	-0.933	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cc(B(O)O)ccc1O	2248029386	YVPJCRHWXSYCSG-ZETCQYMHSA-N	235.048	-0.694	50	10	BBGE	
C[C@H](CCCNC(=O)C1(B(O)O)CC1)C(=O)O	2248584699	ALKYJSDCLNGXET-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(C(=O)O)CC1	2248588034	YDSOZDZDEXMMHT-LJGSYFOKSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C1=CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2248593401	MNSGPNICHMQDOA-BIIVOSGPSA-N	239.036	-0.861	50	10	BBGE	
CC(C)(CCF)NC(=O)c1cc(B(O)O)co1	2249406503	DRFMNCJJLVBCEJ-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2cc(B(O)O)co2)C1	2249419101	CJLWTNVHMJWMKV-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1C	2250820697	QPCUTDYELNXZDP-KNVOCYPGSA-N	238.056	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ccnnc1	2251561160	SFUGWUPYQQPYRM-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2255524595	YAVDNUAIVZPXQV-JTQLQIEISA-N	246.075	-0.448	50	10	BBGE	
O=C(NC12CCC(CC1)C2)c1n[nH]cc1B(O)O	2255549555	XUWZLIHQJDJKCF-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
Nc1ccccc1NC(=O)c1cc(B(O)O)c[nH]1	2255673810	TTYNZZJHLLQHHT-UHFFFAOYSA-N	245.047	-0.471	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2255674669	ZQYYPUKCHAULRN-WCBMZHEXSA-N	246.075	-0.774	50	10	BBGE	
C[C@@H](NC(=O)c1cncc(B(O)O)c1)C1(C)CC1	2255716559	DLMAVZVDXZHMRH-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1c(C)cccc1B(O)O	2255730546	OKGGIKMHSQVCIP-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2O)[C@@H]1C	2255953564	KOSNTBJAVDZYSF-JGVFFNPUSA-N	249.075	-0.448	50	10	BBGE	
C#CCOCC(=O)Nc1ccc(C)cc1B(O)O	2256680470	XCLIHNQZLQNWNZ-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@@H]21)[C@H]1C[C@H]1B(O)O	2298369335	RGEWFOLMHAAREX-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
CN(C[C@H]1CCCNC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298370051	MWNXHNMLVIMYFL-IVZWLZJFSA-N	240.112	-0.693	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2298376744	MFBQXFTUEMGANK-YNFQOJQRSA-N	240.112	-0.375	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1SCC1COC1	2301338450	JAVYTJKFONLEBS-UHFFFAOYSA-N	249.100	-0.023	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1COC1	2301340711	HNTKRWADMIEQBG-UHFFFAOYSA-N	232.048	-0.927	50	10	BBGE	
COC[C@@H](OC[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)NN	2307486364	CXCQDYYOCFQIOX-AATLWQCWSA-N	244.291	-0.425	50	10	BBGE	
CC(=O)NCc1cc(C(=O)NN)ccn1	5856104	MPVLSKFIQLPESR-UHFFFAOYSA-N	208.221	-0.679	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCC[C@H]1C(N)=O	36906241	UIPRUZIUABCDNC-RITPCOANSA-N	247.682	-0.200	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CN)cc1	49813727	HJPDCUWSTGXFML-UHFFFAOYSA-N	207.233	-0.285	50	10	BBGE	
CCN(CC)C[C@@H]1CC[C@H](C(=O)NN)O1	82466091	VBQJPGOBKCVXBP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)N/N=C/C(=O)/C=C/N1CCCC1	101022135	YCGASXMMIVJFKH-ACIWFXKJSA-N	210.237	-0.181	50	10	BBGE	
NNC(=O)c1ccccc1CN1CCNC(=O)C1	110570010	SAQBTIHPEUEOQP-UHFFFAOYSA-N	248.286	-0.778	50	10	BBGE	
CCN1CCN(C(=O)C(=O)NCCCl)CC1	170359826	XYBXYHAPXJGNJH-UHFFFAOYSA-N	247.726	-0.495	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2ccnc2C1	211723286	HUYBUDOQYSBDOW-VIFPVBQESA-N	237.307	-0.143	50	10	BBGE	
N[C@@H](C(=O)N1CCC[C@@H]1B(O)O)c1ccccc1	216727731	JCKSFPAAENVYOQ-GHMZBOCLSA-N	248.091	-0.311	50	10	BBGE	
C[C@@H](CN1CCN(C)[C@@H](C)C1)C(=O)NN	216743251	YVAQAUFTRCDUAJ-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\NC[C@H](C)O	216804945	DNCPMLONABKABC-CUQRQBARSA-N	241.291	-0.483	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C1CC1	223071759	ZCDIOQWSDCKMNT-IUCAKERBSA-N	213.281	-0.382	50	10	BBGE	
NC(=O)COCCn1cnnc1CCl	230094003	CJBUUJNCCSATHO-UHFFFAOYSA-N	218.644	-0.481	50	10	BBGE	
CCNC(=O)CN(C)S(=O)(=O)CCCl	232297095	HMRPSRBOFPIGJM-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
CCOC1CCN([C@H](COC)C(=O)NN)CC1	232419410	YPLIZJBQYIZHCP-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](Sc1nccn1C)C(=O)NN	232421198	OWZYFKOURHJWML-LURJTMIESA-N	230.293	-0.483	50	10	BBGE	
CO[Si](CCCN)(OC)OCCN	238433885	AGOMXFCMPOZPFZ-UHFFFAOYSA-N	208.334	-0.458	50	10	BBGE	
OB(O)c1ccccc1-c1cnccn1	238628590	CNPJBYKBAGTFIW-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CN(N)C(=O)c1ccc2c(c1)N(C)C(=O)CO2	258971541	IHKHFRDHBQENNG-UHFFFAOYSA-N	235.243	-0.013	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C[C@H]1C	300354148	BOUTZWYFIBGZQB-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](SCC(=O)N(C)C)[C@H](C)C(=O)NN	300857352	OQAHAOIOCCLUSC-BQBZGAKWSA-N	233.337	-0.178	50	10	BBGE	
O=C1O[C@H]2[C@H]3[C@@H]([C@@H]13)[C@@H](O)[C@H]2Br	307297834	SUTMOCMMWLPLHZ-HFUFGVHDSA-N	219.034	-0.088	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	307357941	XPIFCZBEPPTXNA-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@H](C)[C@H](C)C(=O)NN)C1	310191110	YVWQBOYOSYHNJO-SGIHWFKDSA-N	245.323	-0.918	50	10	BBGE	
COC(=O)CCO[C@@H]1CNNC(=O)[C@@H]1Cl	379871093	QNLWZUXYCKNVRB-IYSWYEEDSA-N	236.655	-0.824	50	10	BBGE	
CN1CCN(Cc2ncccc2C(=O)NN)CC1	380780504	WSGLUTJSDPFZJW-UHFFFAOYSA-N	249.318	-0.568	50	10	BBGE	
CC[C@@H](C)CNNC(=O)[C@H]1COCCN1	381565448	TYRULHKVAOJXAH-RKDXNWHRSA-N	215.297	-0.358	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@@H]1CO	395804437	HOKWAOAJOZZPSS-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
Nc1cccc2sc(C(=O)O)c(B(O)O)c12	396237946	HKWRPKZNAXNPJJ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1cc2c(B(O)O)c(O)ccc2s1	396391213	YWYAOHGTBUWTQI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[C@@H](SCCC(N)=O)C(=O)NN	399144575	BJUYHLFQTRNFKP-RXMQYKEDSA-N	205.283	-0.637	50	10	BBGE	
CN1C(=O)C[C@@H](C(F)(F)F)[C@H]1C(=O)NN	399833178	KLQCYNJDQBCVSP-WUJLRWPWSA-N	225.170	-0.615	50	10	BBGE	
COC[C@@H](OCCOCC1CC1)C(=O)NN	400785964	YHVAZHIIXBRGDO-SECBINFHSA-N	232.280	-0.566	50	10	BBGE	
CCN([C@H]1CCCOC1)[C@@H](C)C(=O)NN	402670450	CAQHYDJPUGURCT-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)NCc1sccc1B(O)O	405192859	ZCWOZEBVEUKGIK-UHFFFAOYSA-N	215.039	-0.716	50	10	BBGE	
O=C1N[C@H](C(=O)NNC(=O)C2CCCC2)CO1	497264116	VLRLXKAVUXXKJQ-ZETCQYMHSA-N	241.247	-0.568	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)CCC1=O	688933369	FZRKCPGZVXUNBY-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C(=O)NN)O1	691935935	HXVKMENTAPNEQT-ZCFIWIBFSA-N	215.253	-0.950	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H](CO)C1	696779417	RDYHZBVGHSADOH-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCCN1CC[C@@]2(CCOC2)C1	707279420	SQWUKOSTNVTOGC-LLVKDONJSA-N	227.308	-0.131	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H]1CO	708125458	YZTWGQKYPBUEDK-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
CN(CCS(C)(=O)=O)[C@@H]1COC[C@@H]1Cl	709125569	KATOSTRMVTUCLQ-JGVFFNPUSA-N	241.740	-0.031	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@@]1(C)CO	725674136	SOCQVRYQWKXVFM-FJXKBIBVSA-N	221.684	-0.042	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2CC1(CO)C2	822169643	BAUIYTQGKGVGDF-XEVUQIKYSA-N	241.335	-0.152	50	10	BBGE	
CNC(=S)N(C)NC(=O)Cc1ccon1	854923919	MYKPXBNYKXEMSC-UHFFFAOYSA-N	228.277	-0.316	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](O)C(C)(C)C)n1C	856047556	WKSAGTHIQKGKNU-SSDOTTSWSA-N	241.295	-0.026	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)C(F)(F)F	863903498	IVGGQOASJSLNIN-SCSAIBSYSA-N	228.170	-0.285	50	10	BBGE	
CCO[C@H]1COCC[C@H]1CC(=O)NNC(C)=O	864426957	FDFAYKXWDQEKEF-UWVGGRQHSA-N	244.291	-0.015	50	10	BBGE	
COC(=O)N(C)NC(=O)/C=C/Cn1cncn1	908114796	LXUMNAQEDCZKNR-ONEGZZNKSA-N	239.235	-0.436	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(C)C[C@@H](C)O	910139586	BIHZXEWGDNSQKB-SSDOTTSWSA-N	226.280	-0.071	50	10	BBGE	
CC(=O)NNC(=O)/C(Cl)=C(\Cl)C(=O)O	1088706082	BMNHDMUBTAZFRI-ONEGZZNKSA-N	241.030	-0.073	50	10	BBGE	
Cc1nccc(C(=O)NNC(=O)c2ncon2)n1	1134396737	GGNXGEBRISSSFS-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
Cc1ncsc1CCC(=O)NNC(=O)CO	1306820925	OUVXKJJYBRRQDV-UHFFFAOYSA-N	243.288	-0.476	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cn1ccnc1C	1446687419	SICKINHSZWPHSW-UHFFFAOYSA-N	239.279	-0.116	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1C[C@@H](O)[C@H](OC)C1	1624177953	CTLZCXJTIQDDGS-WENXHQBNSA-N	240.259	-0.352	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccc(O)nn1	1636245978	LOWSEBLZRQUDIH-UHFFFAOYSA-N	226.192	-0.475	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)c1ncccn1	1638290282	IJMBXZHJUDPZPM-ZETCQYMHSA-N	238.247	-0.746	50	10	BBGE	
N[C@]12C[C@H]1CN(C(=O)/C=C/C(=O)Cl)C2	1877520664	PGUHCDIBTHTVJT-KLVIBNEUSA-N	214.652	-0.132	50	10	BBGE	
N#C[C@H](Cl)CN1CC2(CNC(=O)C2)C1	1884800924	NXKXEBFNJCGGFT-ZETCQYMHSA-N	213.668	-0.061	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNCCO)CCO1	1886004003	YNVHHPJTXIKZOE-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
COCC1(O)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1893447045	UUBJNXIOQYGLAN-RQJHMYQMSA-N	219.668	-0.167	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(F)(CO)C1	1893504168	DHBGMOXBPNNDDH-OWOJBTEDSA-N	221.615	-0.149	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)[C@H](C(=O)O)CO1	1894721090	BWXVLHHIGQFRCN-RQJHMYQMSA-N	231.252	-0.654	50	10	BBGE	
CC[C@](C)(CN1CCS(=O)CC1)C(=O)NN	1902717134	ZURURBDVBMTKJG-SNVBAGLBSA-N	247.364	-0.543	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907249771	JLBRRDKSIGTHGA-CHWFTXMASA-N	241.335	-0.154	50	10	BBGE	
CN(C)C[C@H](N)C(=O)N1CC=C(C#N)CC1	1917084041	IRAOZCSSCZCXAE-JTQLQIEISA-N	222.292	-0.442	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnsc1	1930601271	QYNJYIWHOGFWGL-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
C[C@@]1(CCl)CN(CCOCC(N)=O)C1=O	1931729945	NZCAILXYOKWMCF-SECBINFHSA-N	234.683	-0.424	50	10	BBGE	
NNC(=O)CCCO[C@H]1CCCOC1	1932288968	AYJHJJMGZRVURT-QMMMGPOBSA-N	202.254	-0.048	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@@H]1C(F)(F)F	1935090955	YHLKZLWLLWQMAT-HRFVKAFMSA-N	211.143	-0.116	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[S@@](=O)CC1	1936093837	HZRIMARKASLYKU-ABFUHYCJSA-N	245.348	-0.933	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	1937460683	JMJQUERGZSHYRC-VGMNWLOBSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(CSc2nccnc2N)CC1	1938257320	ACTCTZHCIBQTAY-UHFFFAOYSA-N	239.304	-0.079	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@H]1C	1941087025	LFOFWBNMRSYCDM-DKXJUACHSA-N	239.275	-0.747	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@@H](C)CCO1	1944022781	FSLHQXVXMLUOQS-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)COC1CN([C@@H](C)C(=O)NN)C1	1958193757	CUONZGOVYVKLPT-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
O=C(CCCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1958775756	WBTALRBPQQNYAP-GOZTYBTRSA-N	233.695	-0.042	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1CC(=O)NN	1961311087	PTDRABIEQYTHSV-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)COc1ncc(B(O)O)cc1F	1961687325	LHYZHNMOTBNJBI-UHFFFAOYSA-N	213.017	-0.065	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1975355230	JBBMJNYDRRIZDZ-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
Cc1nc(CN(C)C[C@@H](C)C(=O)NN)no1	1976748970	FVCQOKFITRYFQE-ZCFIWIBFSA-N	227.268	-0.564	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CCCCC1	1980794698	BUZAFHBQXQTUGC-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(CCO2)C1	1981146142	URGLMJLSVUFQDD-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1CC(F)(F)C(=O)NN	1981162660	HXXJVXNIGIPOBS-RITPCOANSA-N	235.234	-0.132	50	10	BBGE	
CC1(C)CO[C@@H](COCCC(=O)NN)CO1	1984654771	FYOMKNWQOOICIN-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
COC[C@@H]1CNCCN1C(=O)/C=C/C(=O)Cl	1991713115	OYYNUPJAEJMQQH-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
C=C(CN1[C@H]2CC[C@H]1CN(C)CC2)B(O)O	1992168230	XDQGLLARQFEVNF-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
CC(C)CNC(=O)Nc1ccc(B(O)O)cn1	1996645270	HUWJPZYUNCESGG-UHFFFAOYSA-N	237.068	-0.461	50	10	BBGE	
C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1998125649	KKYVNMOXFZVCEH-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2CC2)[C@@H](C#N)C1	2004433066	VMLSCCQNAJXPSS-SCZZXKLOSA-N	237.307	-0.963	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](CF)C2)c1B(O)O	2004973744	ZLLWUYBPBMUEDI-QMMMGPOBSA-N	239.059	-0.739	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H](O)[C@H]1C2	2008869473	APWFZMGQGXTGFD-PRJMDXOYSA-N	249.261	-0.543	50	10	BBGE	
O=C1CN([C@H]2CO[C@@]3(CCOC3)C2)CC(=O)O1	2009151031	UCEUDZOSJUVSQD-KCJUWKMLSA-N	241.243	-0.680	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nnccc1C	2017628246	SYDHVYOBGBKTCC-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
NNC(=O)C1(CN(CC2CC2)C2COC2)CC1	2018187235	JPVZHLPWYTUKAW-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020068459	RNYMNCVRWRMHFJ-FKTZTGRPSA-N	239.080	-0.372	50	10	BBGE	
CC(C)(F)C(=O)NCc1ccc(B(O)O)cc1	2025204134	MRTWQEBKSMMRMH-UHFFFAOYSA-N	239.055	-0.269	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ncccc3B(O)O)C[C@H]12	2042942834	GAKXCUWYOUEGLT-RWYTXXIDSA-N	246.075	-0.254	50	10	BBGE	
CN1CCN(Cc2cccc(B(O)O)c2)[C@@H]2C[C@H]21	2049378639	FCVIFXUWZKNAFN-CHWSQXEVSA-N	246.119	-0.745	50	10	BBGE	
COc1cc(C#N)cc(Cl)c1B(O)O	2060100548	NWPRPMUSSKFWRW-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
O=C(NCc1cocn1)c1ccccc1B(O)O	2079012127	OXUBSXOYFXOBQX-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1ccc(B(O)O)cn1	2211060230	UZJYKQKLULODEY-OIBJUYFYSA-N	225.028	-0.112	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC(O)CC1	2211839847	ZZUWMXFGKWYOGS-SCZZXKLOSA-N	227.308	-0.541	50	10	BBGE	
CCCN(CCO)CC1(C(=O)NN)CCC1	2212249341	PXWWCZJNUXPPOG-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@@H](CO)N(C)CC1(C(=O)NN)CCCC1	2212448442	NVYYYTSDBWZQGI-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CC#N)N(C)c1ccc(B(O)O)cn1	2212612795	ONKTZXUWKLWHMV-QMMMGPOBSA-N	219.053	-0.500	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C1CSC1	2212615170	KTKJZAXYJDEHHZ-ZETCQYMHSA-N	238.121	-0.075	50	10	BBGE	
C[C@@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1	2214594269	DZDFWQNZAJLESX-SECBINFHSA-N	233.076	-0.265	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2CC[C@H]2C(=O)NN)n1	2215775110	ZKZNDXANAJFPAR-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H](O)[C@H]1CC2)C(=O)NN	2216250739	CCGUDGQFVPPYDI-BBBLOLIVSA-N	241.335	-0.010	50	10	BBGE	
CN(CCOCCO)CC1(C(=O)NN)CCC1	2216528474	PHPMMNVXKITHBM-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1C[C@@H]2C[C@H]2C1	2216638191	STFKMUQZUPDOLG-YUMQZZPRSA-N	233.080	-0.609	50	10	BBGE	
NCC1(Oc2ccc(B(O)O)cn2)CCCC1	2217172623	LDJOGWUGDYHHFN-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@@H](CCN)N(C)c1nccc(B(O)O)c1F	2217181929	XDXJKTSAYPXDSP-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
C=C[C@@H]1CN(c2ccc(B(O)O)cn2)CCO1	2217183161	GMVZPBLCLORFFL-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1nccc(B(O)O)c1F	2217189844	JNFKGWFREYSNIW-HTRCEHHLSA-N	241.027	-0.686	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3C[C@@H]3CO2)c1	2223626611	IQOHYOYTMFPGLI-KKZNHRDASA-N	248.091	-0.402	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)c1ncon1	2223634076	FOJFQGQTGPIDTG-ZETCQYMHSA-N	248.051	-0.640	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1Nc1ccc(B(O)O)cn1	2223640527	LWLBSRLKDOXGPO-PSASIEDQSA-N	249.123	-0.453	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3O)c1	2223673827	HVWYMHANYDLYDE-URPMGSGRSA-N	248.091	-0.667	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)[C@@H](C)CN1C	2223679267	NIMLTTIBIRPFDF-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(c2ccc(B(O)O)cn2)C1	2223680054	YBSCVSGVJMWSNR-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CCC2)no1	2243363068	APBNCLBGWQFHKJ-UHFFFAOYSA-N	225.013	-0.286	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243363958	PECFKZWRXSYWKD-YUMQZZPRSA-N	222.053	-0.198	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)C1(B(O)O)CC1	2243364914	FEQOZFFLPURESA-MRVPVSSYSA-N	228.101	-0.421	50	10	BBGE	
CC(C)(F)CNC(=O)c1csnc1B(O)O	2243378548	VJWSLRACXFYZQU-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
Cc1nscc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396775	QPRCNXKATWPQHZ-YUMQZZPRSA-N	240.093	-0.069	50	10	BBGE	
C[C@@H]1CC[C@@H](CCNC(=O)C#CB(O)O)O1	2243400037	UWBHRJSMJCRGFT-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)cn1	2243407598	VWDBKLMSXCAZID-UHFFFAOYSA-N	224.025	-0.997	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243410978	LQINTOCOCQEJGD-JGVFFNPUSA-N	226.085	-0.621	50	10	BBGE	
Cc1sc(C(=O)NCCCF)cc1B(O)O	2243413450	GQTANPZXSKCCOV-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
CC(C)OCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243426637	JJWVANMTZZYIRQ-DTWKUNHWSA-N	229.085	-0.267	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)co1	2244212672	TXXLEXRIGKMMOW-SVRRBLITSA-N	223.037	-0.560	50	10	BBGE	
C[C@H](N)[C@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245912932	JMSYHZLSQQAKBN-WDSKDSINSA-N	243.503	-0.438	50	10	BBGE	
COc1cc(C(=O)NNCCO)cc(Cl)n1	2246064305	UNCGPBUCFWKNNU-UHFFFAOYSA-N	245.666	-0.030	50	10	BBGE	
CC1(C)CCO[C@@H](Cn2ccc(B(O)O)n2)C1	2246995383	QFTMABGLQHROKX-SECBINFHSA-N	238.096	-0.232	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H](F)C1	2247743612	GQLLJXYKTVRVRB-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
O=C(C#CB(O)O)NCC1[C@@H]2CCCCC[C@@H]12	2247747829	SUHCXUDHTGSEEI-NXEZZACHSA-N	235.092	-0.056	50	10	BBGE	
C[C@H](CO)CC1CN(C(=O)C2(B(O)O)CC2)C1	2247749981	CHKRAUAIAAYGOH-QMMMGPOBSA-N	241.096	-0.530	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1cccnn1	2247750568	LIYOFLWPVZQAEX-UHFFFAOYSA-N	235.052	-0.164	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(B(O)O)c1F	2247752070	IARPAHBAVQQGEH-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1F	2247752645	TWPHZSSYIYRRNT-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@@H]1O)C1(B(O)O)CC1	2247754151	CDPDCVAJPBFQTB-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(B(O)O)c1	2247761155	RRAXTWLPIMIFPX-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
CN1CC[C@](C)(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247790346	GWHDIEPFSXSLRW-NGZCFLSTSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCNCC1	2247796791	CUCZCIIIMAAFJZ-QNSHHTMESA-N	240.112	-0.646	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247798532	VETFSRHVIGHYGG-GEPGNKONSA-N	241.096	-0.485	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n(C)n1	2247800169	LVVIMQPMDUQGCE-ZKCHVHJHSA-N	237.068	-0.080	50	10	BBGE	
CO[C@@H](CNC(=O)C1CC(B(O)O)C1)C1CC1	2247809804	RKVBJZFCLYJWKY-RTBKNWGFSA-N	241.096	-0.219	50	10	BBGE	
CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2247809901	SHRBAUKANVSSHE-HLTSFMKQSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1CO)[C@@H]1C[C@H]1B(O)O	2247897691	WCSCOIWGWRFSEF-SGIHWFKDSA-N	241.096	-0.626	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586453	AZWVMDSDKNGVJG-MHYGZLNHSA-N	241.052	-0.685	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@@H]2CN1C[C@@H](C)C(=O)NN	2248683288	BZBJDGSIFFMXHW-DNRKLUKYSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1CN(C(=O)c2cocc2B(O)O)C[C@H]1F	2249410480	NKTRAIPNMAISGS-IMTBSYHQSA-N	241.027	-0.611	50	10	BBGE	
C[C@H](OCCn1cc(C(=O)NN)nn1)C(F)F	2249475651	LLFXBZPQKTVCQC-YFKPBYRVSA-N	249.221	-0.448	50	10	BBGE	
CN(CC(=O)NN)[C@H](CO)Cc1ccccc1	2253323140	FNKXDPKOOFBWLN-NSHDSACASA-N	237.303	-0.488	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255473588	NEYDOPXGGPTVBY-VIFPVBQESA-N	248.091	-0.267	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1occc1B(O)O	2255488509	FOFHCIPFYVIFAX-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)c(C)c1	2255512682	DKAIUBMHSCQVLO-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cn1cnc2c1CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2255577997	BSWDOJAZEOFCQF-SFYZADRCSA-N	249.079	-0.832	50	10	BBGE	
CC1CC(C)(NC(=O)c2ncc(B(O)O)cn2)C1	2255591502	UYMNJVRHZUINDO-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2255674668	ZQYYPUKCHAULRN-SCZZXKLOSA-N	246.075	-0.774	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(c2ncc[nH]2)CC1	2255680950	OTWKIRLLCHKXLR-UHFFFAOYSA-N	247.063	-0.869	50	10	BBGE	
CC1=CCN(C(=O)c2c(F)cccc2B(O)O)C1	2255686048	LBMCQKDITYWOMD-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC2(C)C)n1	2255726040	RHFUWKKMVDKWAS-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C1(C)CC1	2255732668	YZSKDAQMKNYNGJ-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ncc(B(O)O)cn1	2255773061	AUGVLKMLKUVCIN-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
NCc1cccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2255784693	QJCHQIDCCPJHKU-MNOVXSKESA-N	248.091	-0.376	50	10	BBGE	
NN=c1[nH]onc1-c1noc(CCl)n1	2295355690	GSASQHALURODBA-UHFFFAOYSA-N	216.588	-0.434	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)CO	2298371188	CBLZHUCLLOANNS-SJQPAMGKSA-N	241.096	-0.674	50	10	BBGE	
CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298377036	BODQQQKAQWYBMX-BBBLOLIVSA-N	241.096	-0.219	50	10	BBGE	
C[C@@]1(CC(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463340	ZFQNYWYTXLMFST-XSSZXYGBSA-N	241.052	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H]2C[C@H]1CO2	2300367185	BRTAZVVTKXIQQH-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cc2C#N)COC1	2301345558	HNIVMAIIPBLPKW-UHFFFAOYSA-N	232.048	-0.561	50	10	BBGE	
NCCCCOc1ccc(C=O)c(B(O)O)c1	2301453128	QMUXAAXEECEBRB-UHFFFAOYSA-N	237.064	-0.703	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301492012	KQPAJQQGOQWJMN-QFOLPQNPSA-N	241.335	-0.154	50	10	BBGE	
O=C(Nc1cc(F)c(B(O)O)c(F)c1)C1CC1	2302392544	NYMINLFWZOGFOO-UHFFFAOYSA-N	241.002	-0.007	50	10	BBGE	
CCN(C)CCOc1cc(B(O)O)c(F)cn1	2303853963	ZHKOXWXZRNBQPI-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2C[C@@H]3C[C@@H]3CO2)nc1	2312612351	SBHVPBZWXMFZFR-IQJOONFLSA-N	248.091	-0.402	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H](CN)C1CC1	2317211904	OYJRIJJYFRXAQQ-GFCCVEGCSA-N	246.075	-0.646	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccccc2C1	36948192	FXQXHXVVCRWBLZ-UHFFFAOYSA-N	219.244	-0.439	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC(=O)N(C)C	37225692	HCTPHIMOCRYVDT-RXMQYKEDSA-N	235.671	-0.472	50	10	BBGE	
Cc1nn(C(=O)N[C@H](C)[C@H](C)Cl)c(=O)n1N	82311338	YFZJCYNLJKMFBG-CRCLSJGQSA-N	247.686	-0.359	50	10	BBGE	
CC(C)OC[C@@H]1CC[C@@H](C(=O)NN)O1	82463763	VWTQVICLGJSNLS-YUMQZZPRSA-N	202.254	-0.051	50	10	BBGE	
Cc1nnc(S[C@H](C)C(=O)NN)o1	82471775	HFXFWXUPRBZEIE-GSVOUGTGSA-N	202.239	-0.151	50	10	BBGE	
CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)NN	82471973	YEDFJIXMRVCTGQ-LURJTMIESA-N	242.304	-0.061	50	10	BBGE	
O=C(C[C@@H]1CCCN1)N1CCC[C@@H]1B(O)O	204437867	YYTNIOPYAZSXTQ-DTWKUNHWSA-N	226.085	-0.869	50	10	BBGE	
O=C1NCC[C@@H]1N1CC[C@H](Br)C1=O	217397834	ONMHPWNVWSUAPS-WDSKDSINSA-N	247.092	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H](C)C1	222183175	XDJQJSNLRIWPPW-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	227706010	BNXCFSPCRBXLAN-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCO)C1CCCC1	232419812	HHRPVTYZYDVURE-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
NC(=O)[C@@H]1CCN(C(=O)NC(=O)CCCl)C1	236252179	PWFXLQOFEOLWJB-ZCFIWIBFSA-N	247.682	-0.341	50	10	BBGE	
CCOC(=O)OC(=O)[C@@H]1CCC(=O)N1	238291456	ZIKPUJWZOVHLTQ-YFKPBYRVSA-N	201.178	-0.035	50	10	BBGE	
O=C(NCCCl)N[C@H]1CCCNC1=O	238566049	QFHSKSYERHONFB-LURJTMIESA-N	219.672	-0.197	50	10	BBGE	
CC(=O)NCCNC(=O)NCCCl	243572241	OOYCHJOMLAIMNV-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
CN(C)NC(=O)[C@H](N)CC1CCOCC1	259006617	HIEWKZSPKZZDTF-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
Cc1ccn(Cc2ccoc2C(=O)NN)c(=O)n1	302428564	UKLJESPPPWWFQA-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ccc(=O)cc1	305941869	LPKFOHPWLMQJEH-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
NNC(=O)Cc1csc(NC(=O)CCl)n1	308514117	QWFWXAZZKGDHAG-UHFFFAOYSA-N	248.695	-0.147	50	10	BBGE	
Cc1ccc(Cn2ccncc2=O)cc1B(O)O	314199905	OQUVWBGMOPWDNY-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](O)CC1	378806983	XOKIOHRFJSYTGU-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(OC)C1	379849404	AGMHGEMPWLZCOF-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
O=C(CCCl)c1c(O)cccc1B(O)O	396027237	XVDQHHFBNYVLSM-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
NNc1ccc(OC(F)(F)F)c(B(O)O)c1	396051814	NHMHUQHABSRHGD-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
OCc1cc(O)c(B(O)O)c2ccsc12	396352030	XZXRHYABVOFCGC-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2CCOC2)cc(B(O)O)c1	404921124	UYLISUKEXOPCAN-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
CCNC(=O)Nc1cccc(B(O)O)c1F	575600262	XIWBFJOMJKKQCH-UHFFFAOYSA-N	226.016	-0.353	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23COC[C@@H]2C3)CC1	689117001	VNUZTAKPTXSZJL-JOYOIKCWSA-N	236.271	-0.100	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H]1CCN(C)C1	693435770	HQPNGIVCQDIYCY-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CCN(CCO)[C@@H](CC(C)C)C(=O)NN	695075575	DKPVWCSOCSYUGN-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C	695087327	MWWCOTKHCZFEAJ-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](CCF)C1	700560815	LWCUJHWNUXNADS-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1	700841225	OCHMMQHQHNJWEA-ZETCQYMHSA-N	240.263	-0.913	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)nc(Cl)n1	700860145	YTYFSBFATFOMSS-UHFFFAOYSA-N	245.695	-0.084	50	10	BBGE	
C[C@@H](CN1CC[C@@H](N2CCC2)C1)C(=O)NN	702300458	LZDIHWXFBCQCEA-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1CC(C(N)=O)C1	703485988	CMIXQUJGQYQWQO-HACHORDNSA-N	242.323	-0.659	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCN(C(N)=O)C1	707588825	HVPIZSZIOGRWBQ-LURJTMIESA-N	200.242	-0.891	50	10	BBGE	
OB(O)c1ccncc1OC[C@H]1CCOC1	714034101	URCLCDVTKRKWJW-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCSCC1	725663102	BKQVSLCNUGZCHW-YUMQZZPRSA-N	215.322	-0.339	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)c(C)[nH]1	729457734	OKRGGKWCZWXVAN-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
N#Cc1cccc(NNC(=O)CNC(N)=O)c1	749260944	WTVXIRXREKKQSY-UHFFFAOYSA-N	233.231	-0.330	50	10	BBGE	
COC[C@H](C)C=NNC(=O)[C@@H]1COCCO1	755891639	JCCJCEMXVSZHMG-BDAKNGLRSA-N	230.264	-0.214	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)NC1CCCC1	772510708	MLOVBQVGFKZEJZ-UHFFFAOYSA-N	242.279	-0.605	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)C2CC2)CCC(=O)NC1	798826614	YRHGLOPMZMAERU-LLVKDONJSA-N	239.275	-0.540	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	823474950	MSOSNIFYOYKMFS-FNCVBFRFSA-N	242.275	-0.406	50	10	BBGE	
CC1(C)CN(CC(=O)NNC(=O)NC2CC2)C1	847391384	XAJJRIBYKLVLLN-UHFFFAOYSA-N	240.307	-0.179	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12CCCN(CC1)C2	895476636	HADFVNHQJKIZNT-JTQLQIEISA-N	211.265	-0.360	50	10	BBGE	
CNC(=O)NNC(=O)/C=C(\C)c1cnccn1	1142142966	VEILDYRXKUDBAA-FNORWQNLSA-N	235.247	-0.160	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\c1cnccn1	1251228124	ZGPSKTKTIUBLRQ-IHWYPQMZSA-N	221.220	-0.550	50	10	BBGE	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cc[nH]n1	1300693906	FEPAXDNGRORNAU-JISRMSBWSA-N	248.242	-0.604	50	10	BBGE	
COCCOCC(=O)NNC(=O)CCF	1332262707	OPEKEJFXFYIORV-UHFFFAOYSA-N	222.216	-0.844	50	10	BBGE	
CO[C@H]1COCC[C@H]1CC(=O)NN(C)C(N)=O	1446344635	YREBSLALJLGTCM-YUMQZZPRSA-N	245.279	-0.530	50	10	BBGE	
O=C(NNC(=O)c1nccs1)c1ncon1	1539050247	BRGOVDYNDCMOSP-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
CN(C)C(=O)NNC(=O)CC1(O)CCOCC1	1542414819	BTDXQVLJYUYKHZ-UHFFFAOYSA-N	245.279	-0.780	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1cn[nH]c1	1623390027	JERBXUMOWLUZBB-UHFFFAOYSA-N	234.219	-0.933	50	10	BBGE	
O=C(CNO)NC[C@H]1C[C@@H]1Br	1880434506	QSKWLKBUEZSNRW-UHNVWZDZSA-N	223.070	-0.135	50	10	BBGE	
O=S(=O)(NOCCCl)c1cn[nH]c1	1883019104	TWYRPLMAUAFLAS-UHFFFAOYSA-N	225.657	-0.142	50	10	BBGE	
Cn1nnc(C(=O)NOCCCl)n1	1883025759	FENRXAJBBZHLPZ-UHFFFAOYSA-N	205.605	-0.890	50	10	BBGE	
COC(=O)[C@H](O)CNC[C@H]1C[C@H]1Cl	1883549627	BKFCFCQFDSBHRQ-FSDSQADBSA-N	207.657	-0.263	50	10	BBGE	
NCCNCC[S@](=O)C[C@H]1C[C@@H]1Cl	1883554519	VCSNRTYTDNTVNV-UJVNDKKSSA-N	224.757	-0.089	50	10	BBGE	
CN(C)NC(=O)C[C@H]1C[C@H](N)CCO1	1887241153	WMHCEBCYIFMZGD-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSCC1	1892436331	NZXMDDGBZNZRRX-UHFFFAOYSA-N	217.294	-0.798	50	10	BBGE	
CC(C)(CCCl)C(=O)N1CC(O)(C(N)=O)C1	1900362902	CEQMJGOWCSRPFP-UHFFFAOYSA-N	248.710	-0.300	50	10	BBGE	
NC(=O)C1[C@H]2CN(S(=O)(=O)CCl)C[C@H]12	1900559720	XRYOGWPZOHLMDB-WHFBIAKZSA-N	238.696	-0.824	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H](C)N1	1901376998	IVPWVLMGRMNMGA-SFYZADRCSA-N	249.336	-0.562	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCN(C)CC1	1901764636	PCABLWICLDGRIX-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@@H]1O	1902155826	PIHQMOUGDNJASN-CIUDSAMLSA-N	229.324	-0.296	50	10	BBGE	
C=C(C)CN(C)c1cc(B(O)O)c(F)cn1	1903005831	LJDWKEATMHWIEA-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
CCc1cn([C@H](C)CC(=O)NN)c(=O)nc1O	1905542374	OYPCUCGJAADIIK-ZCFIWIBFSA-N	240.263	-0.548	50	10	BBGE	
CC[C@@H]1CCOCCN1CCC(=O)NN	1913640219	UXZOTJPEMSGNDJ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCS(=O)(=O)N(C)CC1(C(=O)NN)CC1	1913827641	GAUOHKTUZSRISC-UHFFFAOYSA-N	235.309	-0.962	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)CC(=O)NN)[C@H]1C	1914335094	NOMVSXVXCMEWJH-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCCO)CCCO	1922173036	SQWNDBDKDUABBS-SNVBAGLBSA-N	247.339	-0.788	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C1(CO)COC1	1923421071	QORBEWVJDMUSIR-UHFFFAOYSA-N	246.263	-0.449	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](OCC(N)=O)C1	1928133305	SPNFXKDMIVAPNM-YUMQZZPRSA-N	231.683	-0.306	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](CO)C(C)C	1928312650	BVVWECMCITXRMP-QMMMGPOBSA-N	234.321	-0.096	50	10	BBGE	
CON(CCOCC(=O)NN)C(C)C	1928662441	LCAALGBLVDDRQU-UHFFFAOYSA-N	205.258	-0.735	50	10	BBGE	
CCON(C)C[C@@H]1CC[C@H](C(=O)NN)O1	1928678587	WTCOZZILAUMNLG-JGVFFNPUSA-N	217.269	-0.593	50	10	BBGE	
COCC1(C(=O)NNCCO)CCCC1	1930760872	TVMWGCBFRZRUNZ-UHFFFAOYSA-N	216.281	-0.194	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1931249556	ZTTXJQUYLZAVMB-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1C[C@@H]1OC[C@H]1CC[C@H](C(=O)NN)O1	1932202533	CGBIFXDRBUGICY-BGZDPUMWSA-N	214.265	-0.051	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1C1CCC1	1936217870	YNIYMFMWPOASMJ-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccns1	1936528866	IMFUYKLCAAYQHU-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)CC[C@H]1C	1936675198	DEWRRNGFZVHRTE-SSDOTTSWSA-N	227.264	-0.793	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)Cn1cnnc1	1937147204	SGIQHRYEKDIUJD-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941086948	LCNVPAQPNOZRMC-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
O=C(NNCCO)[C@@H]1Cc2ccccc2CO1	1944211545	MBLMNYUCGCKMNO-NSHDSACASA-N	236.271	-0.259	50	10	BBGE	
COc1cccc(C(=O)NNCCO)c1OC	1944215408	IDEJVRQPFNJKCD-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
COC[C@]1([C@@H](N)[C@@H](O)C#N)CCCCO1	1953064059	OJNIHHNSZTZPQG-GUBZILKMSA-N	214.265	-0.216	50	10	BBGE	
C[C@]1(CS(C)(=O)=O)CC(=O)OC1=O	1953994872	KQQISHODGYBTBH-SSDOTTSWSA-N	206.219	-0.489	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@H](O)CCl	1954179940	OFWSZLAYVWQZCE-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)[C@H](CO)C1	1955549769	BATMIOVWJQBKOF-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
CN(C)NC(=O)CN1CCC[C@H](N)C1	1956726503	OYFSWHPPRYRQSO-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
O=C1NC(=O)N2CCN(CCCl)C[C@H]12	1956856291	WNNNBXDIFPHAMX-ZCFIWIBFSA-N	217.656	-0.539	50	10	BBGE	
O=C(CCCCCl)N1CC(O)(CO)C1	1956890794	UVHKOXLFIIZPMB-UHFFFAOYSA-N	221.684	-0.039	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H](C)CS(N)(=O)=O	1957318858	QESCMCNURGFYGP-PHDIDXHHSA-N	242.728	-0.203	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@H](CCl)CO1	1957844525	PERJDSRXVLVSCR-RQJHMYQMSA-N	231.687	-0.312	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1958117178	ORBFOZKSWXOUDD-QYNIQEEDSA-N	220.219	-0.109	50	10	BBGE	
C[C@@H](CN1CC[C@H]1CN(C)C)C(=O)NN	1958803304	DAUYBJAVNSGYPR-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](CCl)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1	1978819174	YYQIHNCJQMMVQO-PRJMDXOYSA-N	247.726	-0.620	50	10	BBGE	
OB(O)c1cc(F)cc(OCC2COC2)c1	1980866560	IMSJZAWREAHRLB-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
COc1nc(OC(C)(C)C)ncc1B(O)O	1981420470	LQUWEOJATHZION-UHFFFAOYSA-N	226.041	-0.658	50	10	BBGE	
C[C@@H](OC[C@H]1OCCOC1(C)C)C(=O)NN	1987315823	QTRUUNJWDWWCSI-HTQZYQBOSA-N	232.280	-0.425	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	1990158703	LSIQPXFKHXTUHF-OFPUPOEVSA-N	223.276	-0.473	50	10	BBGE	
Cc1nn(C)cc1C(=O)NCC=CB(O)O	1991336445	JKSCKEDPMBVBCW-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNC(=O)C12CC2	1991712973	NHDBYSWCDCYNFS-OWOJBTEDSA-N	242.662	-0.201	50	10	BBGE	
C=C(CN(C)C[C@]1(C)CCCN1C)B(O)O	1992153097	LSJBITUGZKMRTB-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
C=C(CN(C)C[C@H]1C[C@@]12CCOC2)B(O)O	1992154360	XPLKLUIIFPHQDR-GHMZBOCLSA-N	225.097	-0.087	50	10	BBGE	
C=C(CN(C)C[C@H]1[C@H]2COCC[C@@H]21)B(O)O	1992167892	RIXJJUZALPPOFH-MXWKQRLJSA-N	225.097	-0.231	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1O[C@H]2C=C[C@H]1CC2	1992326961	REOSIGTZXJAELJ-XKNYDFJKSA-N	223.276	-0.053	50	10	BBGE	
Cc1ccn(CC(=O)NN)c(=O)c1[N+](=O)[O-]	1994030354	RFRSDNAWPFCWET-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]1c1ncon1	1997767546	UOKGAWFEBCYMAS-MRVPVSSYSA-N	239.279	-0.023	50	10	BBGE	
CN(c1cccnc1)c1ccc(B(O)O)cn1	2004916201	IZDBLOVYCCBISI-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
Cc1cc(O[C@@]2(C)CCOC2)ncc1B(O)O	2004934333	DZAUSTCWENKYGT-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
CCCc1cnn(-c2ncccc2B(O)O)c1	2004990609	IVNJPDITLHILJU-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
C=CCCOCCn1cccc(B(O)O)c1=O	2008844581	PMSJPMOMLFXCMI-UHFFFAOYSA-N	237.064	-0.879	50	10	BBGE	
CO[C@H](C)COCc1nn(C)cc1C(=O)NN	2011814802	NPYSKHVUILPYDX-SSDOTTSWSA-N	242.279	-0.425	50	10	BBGE	
CCOC[C@@H]1CCCN1CC(=O)NNC(C)=O	2019219652	PAHVUCQZAWGCKK-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CN1CC[C@H](OCc2ccccc2B(O)O)C1	2021068777	SEBBHJKIDICFPV-NSHDSACASA-N	235.092	-0.413	50	10	BBGE	
CN(Cc1cnccn1)c1ccc(B(O)O)cn1	2052459644	DEQMSWXZFFVNMY-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C2CCC2)ncc1B(O)O	2052558297	XTPAHWRWRPPQAT-LLVKDONJSA-N	247.107	-0.156	50	10	BBGE	
CCc1c(C)nn(-c2ncncc2B(O)O)c1C	2052596413	HXUZRLGBUJAGBF-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCN(C)C[C@@H]1C	2052622148	QFGCIWLUPKXPBA-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
N#Cc1cc(C=O)cc(Cl)c1B(O)O	2060092439	YKQCKMFTAHCLNA-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(OC(F)F)c(C#N)c(B(O)O)c1	2060303772	XMGZFCHWPSHWRL-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccn2nncc2c1	2066171161	WNTMJZNZBZDQJI-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
CN1CCC[C@H]1COCc1ccccc1B(O)O	2080331255	BCTVRIUDWKWGED-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
CO[C@H]1CC[C@@H]1C(=O)NNC(N)=S	2209291141	ZYWZKMPBIHOPSW-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
CS[C@H](CNC(=O)C(=O)NN)C1CC1	2209424855	XQSXMUZBOJMSRC-ZCFIWIBFSA-N	217.294	-0.766	50	10	BBGE	
Cn1nccc(C[C@@H](Cl)C(N)=O)c1=O	2209701200	UOWBLKMEQBVEKZ-ZCFIWIBFSA-N	215.640	-0.585	50	10	BBGE	
CCOCCOc1cc(B(O)O)c(C)cn1	2212600176	SMAPGFMCCBJLAQ-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]2C2CC2)nc1	2212602016	XDZCVCJEFRCZQX-NXEZZACHSA-N	218.065	-0.028	50	10	BBGE	
CC(C)(CO)CCNc1cc(B(O)O)ccn1	2217174237	XRZAROCYHIPYQL-UHFFFAOYSA-N	238.096	-0.418	50	10	BBGE	
CCOC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217180451	TUXNDLWACHSCHA-SECBINFHSA-N	238.096	-0.093	50	10	BBGE	
CNC1CC(Oc2cc(B(O)O)c(C)cn2)C1	2217182554	FBMIMHIBEZQUAI-UHFFFAOYSA-N	236.080	-0.801	50	10	BBGE	
C=CC[C@H](N)COc1nccc(B(O)O)c1F	2217186558	LIPUANQNIHHVFU-ZETCQYMHSA-N	240.043	-0.817	50	10	BBGE	
CC1CC(N)(COc2cc(B(O)O)ccn2)C1	2217190924	BDAFZEMRHQUHNT-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)Nc1ccc(B(O)O)cn1	2217196464	FYSMYWYNSGSNDC-KWQFWETISA-N	236.080	-0.259	50	10	BBGE	
CCn1ccc(=Nc2cc(B(O)O)ccn2)[nH]1	2217200103	HVSRITGZRBMCCV-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)CN(C)C	2217201878	FYEGQPOJEPSBPW-VIFPVBQESA-N	237.112	-0.629	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@H]1N2c1ncccc1B(O)O	2223635121	SPRGTPTWAOTEEN-IQJOONFLSA-N	248.091	-0.889	50	10	BBGE	
CN1CC[C@](C)(CNc2cc(B(O)O)ccn2)C1	2223640471	LLHAJFBAKXKADQ-GFCCVEGCSA-N	249.123	-0.485	50	10	BBGE	
N#Cc1cncc(Oc2ccc(B(O)O)cn2)c1	2223647365	XCVYYEVBHZGISC-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
N#Cc1cncc(Oc2ncc(B(O)O)cn2)c1	2223660457	GAKPUXHPYFGWOG-UHFFFAOYSA-N	242.003	-0.785	50	10	BBGE	
O=C(NCc1ccccc1)c1occc1B(O)O	2241473093	CNCGWOJEQOVZBQ-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)CC)B(O)O	2241489958	KKNVSSMVFDFMMU-ZETCQYMHSA-N	221.087	-0.728	50	10	BBGE	
O=C(NCCC1CC1)c1nscc1B(O)O	2243347301	LCGZSRLLLBBULO-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CN(C)C1CN(C(=O)C2(B(O)O)CCC2)C1	2243349497	MJIKYBVOGZNTIY-UHFFFAOYSA-N	226.085	-0.844	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CC2)CCC[C@H]1O	2243364906	FCIDXWYUQSDDOX-APPZFPTMSA-N	227.069	-0.587	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)[C@H](C)CO1	2243397099	VMUNFUPRQPFGRJ-LURQLKTLSA-N	227.069	-0.515	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCO1	2243409370	GQBRYDVGPCUSHR-VIFPVBQESA-N	227.069	-0.321	50	10	BBGE	
O=C(N(CCO)CC(F)F)C1(B(O)O)CC1	2243410483	CCIBGUPOYYLQQN-UHFFFAOYSA-N	237.011	-0.921	50	10	BBGE	
CCCOC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426087	DRXCPXRFUMLLPC-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
NN=c1cncc(C(=O)N[C@H]2C[C@H](Cl)C2)[nH]1	2243968487	NXOZBBMRMZAFSZ-IZLXSQMJSA-N	241.682	-0.316	50	10	BBGE	
COc1cc(OC)cc([C@@](C)(N)B(O)O)c1	2243984103	HMORZFXDDKUTMF-SNVBAGLBSA-N	225.053	-0.110	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1CCC1	2244223199	ZRQOZLUZZDEMLW-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3COC[C@H]2C3)n1	2244479115	WXBCADRQQRLVPZ-NKWVEPMBSA-N	240.093	-0.952	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2247733766	QBJIZLZUPFREKI-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@H](C2CC2)O1	2247740808	PZCYZBOMHPQTPJ-NXEZZACHSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2247746708	CJEHDRCUFIIYBU-SSDOTTSWSA-N	236.080	-0.387	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1cc(B(O)O)c[nH]1	2247748096	XQMONJBCJWZFQJ-UHFFFAOYSA-N	240.043	-0.731	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C(=O)C1(B(O)O)CCC1	2247749857	ANHUVBSWILHNQF-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
Cc1ccc(C(=O)N2CCCC2)cc1B(O)O	2247752365	NXQJBPWLLCZHFU-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)C1(B(O)O)CC1	2247756793	NVHHSRAYMUSTRA-DTORHVGOSA-N	238.096	-0.702	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)cn1	2247775204	ILUSHSZRFQYKFX-SECBINFHSA-N	232.048	-0.956	50	10	BBGE	
C/C=C/CCCNC(=O)c1n[nH]cc1B(O)O	2247783973	NRJMABAYXKURNZ-NSCUHMNNSA-N	237.068	-0.824	50	10	BBGE	
CC1=CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2247788307	CUQCTBKFKZAFQF-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
CCN(CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247808100	KCKYPBKBBYUYJZ-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CCCN(C(=O)C#CB(O)O)[C@H]1CCO	2247851125	WABJLLMJLVZMNN-UWVGGRQHSA-N	239.080	-0.989	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1c(F)cccc1B(O)O	2247874150	JRZAUNDMXDZUJE-IMTBSYHQSA-N	237.039	-0.356	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1occc1B(O)O	2247875388	XDSWCHWSAQHVFE-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
COC[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247876548	RDFXXMJUDQIOII-ZETCQYMHSA-N	241.052	-0.967	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CCNCC2)C1	2247888121	WHGMGWZOADSGFM-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
O=C(NCCN1CC=CCC1)[C@H]1C[C@H]1B(O)O	2247893954	AQKFBYLECSVRBX-VHSXEESVSA-N	238.096	-0.773	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895039	NLFBFDYGJBNTFI-AEJSXWLSSA-N	239.080	-0.606	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897011	MYHIMPAOKRKCFL-AEJSXWLSSA-N	240.112	-0.552	50	10	BBGE	
COC1(CCNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247897909	YJCXVQCHXVKSNH-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1cc(B(O)O)co1	2249406602	FXDFZUXVOOUSHO-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCC12CC2	2249428542	QLEGTIWJNLAELA-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCC[C@@H]1O	2249861619	LRZRGKMOYGMHGP-WCBMZHEXSA-N	241.096	-0.339	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1[C@@H]2CCC[C@@H]12	2255464095	RHOJOBLSHLQMKY-RKDXNWHRSA-N	248.091	-0.435	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCOCC1	2255683414	WFOCLTOELXMSLS-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)C1(C)CC1	2255691691	HAXVYFLYLUHLEC-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1coc(B(O)O)c1	2255732279	SFGOCHVOJDJJLD-WPRPVWTQSA-N	249.075	-0.265	50	10	BBGE	
Nc1ccc2c(c1)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2255768883	JHNIAMJIHLHVQB-QWRGUYRKSA-N	246.075	-0.026	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cc(C)c(B(O)O)o1	2255790357	WPACZOVSIZUWOM-SECBINFHSA-N	249.075	-0.200	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]1C1CCC1	2258122051	XFCFMQQATABDJJ-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2298369043	GVTFXOFSXAIMPS-SOYHJAILSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371387	KIAOJOCEIQILMF-YSSBGUOXSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298375221	ALFSNMJAACSXTE-QCBRBAQYSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCCO[C@H]1CC1(F)F)[C@H]1C[C@H]1B(O)O	2298376895	VOSOWFMXDWPOBE-XVMARJQXSA-N	249.022	-0.610	50	10	BBGE	
C[C@@H](O)C1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300365942	CPUCZMOBXPETOD-KKZNHRDASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC(C)(C)C(N)=O	45112698	FZKYYBVKUGQAKQ-SCSAIBSYSA-N	235.671	-0.297	50	10	BBGE	
CC[C@H](OC[C@@H]1CCCO1)C(=O)NN	82463849	NVEUMRIUEMAWTN-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CCOCCN(CC)[C@H](C)C(=O)NN	82538288	XTRKCWGZXAEBLP-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
O=C1CN([C@H]2C[C@H]3CC[C@H]2O3)CC(=O)O1	133373013	QEEMIVPPECUFAR-GJMOJQLCSA-N	211.217	-0.308	50	10	BBGE	
NC(N)=NCCC[C@@H](Br)C(=O)O	142967715	LMDKWAOLUKQGPQ-SCSAIBSYSA-N	238.085	-0.112	50	10	BBGE	
NC(=O)NCC(=O)NNC(=O)c1ccccc1	144399863	ZJRHIDZWKAZVPI-UHFFFAOYSA-N	236.231	-0.884	50	10	BBGE	
CN(CCO)C[C@H](O)CBr	156314435	KTFQMSFFRQEKGO-ZCFIWIBFSA-N	212.087	-0.334	50	10	BBGE	
CCOCCN(C)Cc1cc(C(=O)NN)no1	158450823	QBBUDDYSMLGIFN-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
CSCC[C@@H](C)NC(=O)C(=O)NN	164040944	DPIQCNBZLFRTCW-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
OB(O)c1cnn(-c2cccc(F)c2)c1	203615560	NBXHREOMSJRTCV-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
CC(C)[C@@H](NC(=O)NC(=O)CCl)C(N)=O	231058819	ONHDUTAVIGSIIM-ZCFIWIBFSA-N	235.671	-0.439	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](OC)C1	234059435	ADPATOJDGUAJRZ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COC(=O)[C@@H](CC(C)C)NNC(N)=O	238345591	PMRKYGAELVQTEL-ZCFIWIBFSA-N	203.242	-0.253	50	10	BBGE	
Cc1ncc(Br)cc1B(O)O	238572979	IZZJVXNXAQBAPN-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
OB(O)c1cnc(Br)c(O)c1	238631349	DKINNEKBATYTIY-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
CC[C@H]1CN([C@H](C)C(=O)NN)CCO1	251541510	ATDYHCLXRGMQKC-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CCO	303740555	ARIBOQPJOXDPJR-VIFPVBQESA-N	229.280	-1.000	50	10	BBGE	
CC(=O)NCCN(C)CCC(C)(C)C(=O)NN	308286079	DNRARFZOBSXESR-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
COCCSCCO[C@@H](C)C(=O)NN	378749282	PNQDLAWNSHYFHC-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1CCCCO1	379236465	SQVFDNFGDZEIAO-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(CO)C1)C(=O)NN	381337185	DFNOJLUZQMYOBZ-WPRPVWTQSA-N	215.297	-0.683	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](SC)C1	382865145	BPDFOOAMHHTZFN-SFYZADRCSA-N	233.337	-0.571	50	10	BBGE	
C[C@@H](Cl)C(=O)N(CCO)CCCO	385333112	URGSOOSTDCDDKB-SSDOTTSWSA-N	209.673	-0.183	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC12CCCCC2	387082678	ZDPDOAJUNVMYLJ-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
C[C@H](CCl)CN1CC[C@](O)(C(N)=O)C1	389212144	IWXNONHSANCWLX-VXNVDRBHSA-N	220.700	-0.217	50	10	BBGE	
C[C@H](CO)N(C)[C@H](C(=O)NN)C(C)(C)C	395593387	NGOBSDJVPKJOMQ-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
CN(CCCO)[C@H](C(=O)NN)C(C)(C)C	395598861	VEXOXJUWBLIEHM-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
C[S@](=O)Nc1ccc(Cl)cc1B(O)O	404936063	OJLDNDJUBLQNFS-AWEZNQCLSA-N	233.485	-0.275	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1CCC1	405043238	ZLXLANMUFKKXGS-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
O=C1NC[C@H](C(=O)O)C[C@@H]1Br	504224582	NZHYGHXKRGGLAR-DMTCNVIQSA-N	222.038	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12COC[C@H]1C2	689281597	QOVFRBUQEHJQQC-NQMVMOMDSA-N	213.281	-0.667	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](F)C2CNC2)CC1	692132223	PKAAFUFWONNARB-SECBINFHSA-N	241.266	-0.579	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(CO)(CO)C1	694687388	ROBHZDRGGAXRTG-MRVPVSSYSA-N	218.684	-0.206	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708093580	MAJHTZSSIXCWOI-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CCc1nc(C)cn1[C@H](COC)C(=O)NN	715062179	VIQBECFJTAWLHA-MRVPVSSYSA-N	226.280	-0.069	50	10	BBGE	
NNC(=O)C(=O)N(CC(F)F)CC(F)F	719372633	HGWMQOVPQXAREM-UHFFFAOYSA-N	231.149	-0.665	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ccn(C)n1	723523888	MPHQPZVLFMWYMH-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](O)[C@H](F)C1	725694048	GFQDYHOPYZVGLK-PHDIDXHHSA-N	231.676	-0.083	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](O)C1CCOCC1	740738331	FVDNVKJIZYCKEY-VIFPVBQESA-N	244.291	-0.423	50	10	BBGE	
O=C(NN=Cc1ccccn1)[C@H]1COCCO1	745207214	HAAAJQOLJNWAMH-SNVBAGLBSA-N	235.243	-0.053	50	10	BBGE	
Cn1cc(C(=O)NN=CC[C@H]2CCOC2)nn1	853385521	AJFPPFVZLQJBDX-QMMMGPOBSA-N	237.263	-0.043	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1cn(C)nn1	855187307	IJIOKENLRLBRLV-SNAWJCMRSA-N	239.235	-0.874	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862891925	KPQUOQNGSIEIPL-HTQZYQBOSA-N	228.248	-0.750	50	10	BBGE	
CC(=O)NNC(=O)/C=C(\C)CN1CCOCC1	899925882	CEDWUNTZHQSTOL-VQHVLOKHSA-N	241.291	-0.568	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)C(=O)OC	1116248089	CDSUXWIXXACNEV-LURJTMIESA-N	202.210	-0.456	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cn(C)nn2)c1	1166552086	AVGMKJMUMSIBLX-UHFFFAOYSA-N	248.246	-0.772	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1627538150	XTJUMCUZUUTLNW-BDAKNGLRSA-N	243.307	-0.767	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)C(Cl)Cl	1865988429	JYLWMEXEAXNUEF-GSVOUGTGSA-N	230.047	-0.560	50	10	BBGE	
CN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1Br	1877402383	AIZLQCGVDSPNGS-UHNVWZDZSA-N	235.081	-0.287	50	10	BBGE	
NC(=O)C1(O)CN(C[C@H]2C[C@@H]2Br)C1	1883583690	NDJDCQYVZHSJGB-RITPCOANSA-N	249.108	-0.698	50	10	BBGE	
CCS(=O)(=O)[C@H]1CCN(C(=O)NN)C1	1885395857	DCGQVTHDCJXIBY-LURJTMIESA-N	221.282	-0.921	50	10	BBGE	
CNCCCSC[C@@H]1C[C@@H]1C(=O)NN	1891104608	GQVUIAYAKXFXDR-YUMQZZPRSA-N	217.338	-0.045	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCSC1	1892919317	HRQGIZAHLFYYHJ-SSDOTTSWSA-N	215.083	-0.576	50	10	BBGE	
O=C(NC[C@]1(O)CCNC1)[C@@H]1C[C@@H]1Cl	1893445559	DEUYAQPXVMROPB-FJXKBIBVSA-N	218.684	-0.546	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](F)[C@H](CO)C1	1895510731	PPFRFRUWJHUBPT-DTWKUNHWSA-N	233.287	-0.591	50	10	BBGE	
CN(NC(=O)[C@]1(N)CC[C@@H]2C[C@H]21)S(C)(=O)=O	1901374253	CNDPNNYZWIDWEG-BHNWBGBOSA-N	247.320	-0.964	50	10	BBGE	
N#CC1CC(O)(CN2CC[C@H](B(O)O)C2)C1	1902512630	MQVXWUZIQFUYON-KYHHOPLUSA-N	224.069	-0.800	50	10	BBGE	
CC[C@@H](CO)Nc1cc(B(O)O)c(F)cn1	1903006020	OCBNXWVJGWSRNF-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H](O)CCN1C[C@@H](C)C(=O)NN	1903280776	DJDSHFLQXCLHBN-IMSYWVGJSA-N	229.324	-0.296	50	10	BBGE	
CCC[C@H]1CN(C(=O)NN)C[C@@H]1CO	1905246884	JGWJIYUPRFHYKI-JGVFFNPUSA-N	201.270	-0.090	50	10	BBGE	
CC[C@]1(C)NC(=O)N(C[C@H](C)C(=O)NN)C1=O	1912222535	WSODKCAONRHGFN-WKEGUHRASA-N	242.279	-0.667	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@H]1C1CC1	1913605405	GCGZWTFUNAGZDI-IUCAKERBSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN=S1(=O)CCOCC1	1913866530	GTLIDTPDUPLQQV-YUMQZZPRSA-N	247.320	-0.889	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCCO)CCCO	1922173376	UZBSCKNBIITCLV-JTQLQIEISA-N	247.339	-0.932	50	10	BBGE	
Cc1nnsc1[C@@H](C)NC(=O)C(=O)NN	1928127361	SXHQLIKSTZACLU-GSVOUGTGSA-N	229.265	-0.986	50	10	BBGE	
CS(=O)(=O)N1CC(OCCCl)C1	1932099235	JJCGEEYXFAATHE-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)[C@H](C)C(=O)NN	1932314276	UIRYKGQEGBSAQR-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CC[C@]1(C(=O)NCB(O)O)CC1(F)F	1933063350	FTHHEKLOTUCUGU-ZCFIWIBFSA-N	206.985	-0.450	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2CC1(CO)C2	1935928685	LNRPIRSUVRZGIH-UHFFFAOYSA-N	235.234	-0.932	50	10	BBGE	
Cc1cnn(CC2(C(=O)NN)CC2)c(=O)c1	1938258834	KJJBMHQFFUWFGO-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCn2ccnc2C1	1941087245	AXTLWEFOGQUPAX-RKDXNWHRSA-N	235.291	-0.675	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(CCO)CC1	1941090162	NLYNQMXUPRULIK-QWRGUYRKSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H]2CO)cc1	1944079595	GAOCVGCNTCWFPS-LLVKDONJSA-N	235.287	-0.143	50	10	BBGE	
CNC(=O)N1CCc2c(cccc2B(O)O)C1	1944859245	HQAJKYNFUPCNKG-UHFFFAOYSA-N	234.064	-0.936	50	10	BBGE	
CC[C@H](COC)OC[C@@H]1CC[C@@H](C(=O)NN)O1	1945652867	ZQUYVOBMNKETGS-UTLUCORTSA-N	246.307	-0.035	50	10	BBGE	
CC(C)CN(CC(N)=O)CC1(C(=O)NN)CC1	1945883533	ASQSFZTXLFFOFP-UHFFFAOYSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC2(CCC2)C1)C(=O)NN	1946084366	SENWBCIYLAVHBJ-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CP(C)(=O)[C@@H]1CC[C@@](N)(B(O)O)C1	1954505364	FCDLXXSLNQOCLR-RQJHMYQMSA-N	205.003	-0.129	50	10	BBGE	
O=CN1CCN(S(=O)(=O)CCCl)CC1	1955948622	XLDMLYHXJQEWGP-UHFFFAOYSA-N	240.712	-0.671	50	10	BBGE	
C[S@](=O)C1CN(C(=O)NC(=O)CCl)C1	1956889248	KUJZGXZAPLVHCO-AWEZNQCLSA-N	238.696	-0.476	50	10	BBGE	
CN(C)NC(=O)N1CC=C[C@H](C(=O)O)C1	1958548080	FGORUVDQVNRHRK-ZETCQYMHSA-N	213.237	-0.255	50	10	BBGE	
CN(C[C@H]1C[C@@H]2OCC[C@@H]2O1)C(=O)NN	1959595537	KGRJBDKVXHFPNQ-CSMHCCOUSA-N	215.253	-0.552	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CCC(=O)NN)C2	1960278467	LBOIBVAKGFTFOD-WPRPVWTQSA-N	213.281	-0.665	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)C(=O)NN)no1	1961494533	YEUVFRAJFJNATD-ZETCQYMHSA-N	212.253	-0.207	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](CF)C1	1961593223	UTDNZYDBTDXPPO-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)C1CC(Cl)C1	1965141048	VBOMHJQPVRFCID-UMULYZNJSA-N	221.684	-0.138	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)CS1(=O)=O	1979329524	NQGZJXQCXOLORE-UHFFFAOYSA-N	247.320	-0.818	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@@H](C(=O)NN)C(C)C	1979850194	WLNPMYNHMBHWSQ-NXEZZACHSA-N	231.340	-0.050	50	10	BBGE	
Cn1ccnc1[C@@H]1CCCN1CC(=O)NN	1981092392	ZEGALLDQUJDPSP-QMMMGPOBSA-N	223.280	-0.453	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]3C2)nc1	1981413222	CZMYFHMVUZSQEM-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
C[C@H](Oc1ncc(B(O)O)cn1)C(F)(F)F	1981430278	MZDVHFXIBSLJMD-BYPYZUCNSA-N	235.958	-0.514	50	10	BBGE	
C#CCCN(CC(=O)NNC(C)=O)C(C)C	1982985257	VDZMARVPCMJHDZ-UHFFFAOYSA-N	225.292	-0.113	50	10	BBGE	
CC[C@H](C(F)F)N(C)[C@@H](COC)C(=O)NN	1984220727	VREZJADFQBZLPF-RQJHMYQMSA-N	239.266	-0.033	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985465769	SKCPRGFESBEUDJ-JXUBOQSCSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CO)N(C)C[C@H]1CC[C@H](C(=O)NN)C1	1988872855	YRQSJAHJTYLXGH-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
C=C[C@]1(O)CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	1990539397	KSPGHCOWHGZIBA-YWVKMMECSA-N	227.308	-0.376	50	10	BBGE	
CO[C@]1(C)CCN(CC(=O)NNC(C)=O)C1	1990774423	ISCSFWONSBDUEH-SNVBAGLBSA-N	229.280	-0.736	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCN2C[C@H](O)C[C@H]2C1	1991674080	ARMXEFHVAPKGGQ-JLIMGVALSA-N	244.722	-0.109	50	10	BBGE	
O=C(O)CN1CCN(C(=O)[C@H]2C[C@@H]2Cl)CC1	1991681579	BNWCZPSYNCJUEQ-YUMQZZPRSA-N	246.694	-0.158	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@H](C)[C@H]2C1	1995084317	NZPCIXWEWVIWSM-UJNFCWOMSA-N	225.292	-0.259	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2C[C@@H]21	1995201587	XMBPHVUOYQONNW-OYNCUSHFSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[C@@H](C(=O)NN)O1	1997684767	YGVNQBBGXIZMTI-KATARQTJSA-N	245.298	-0.044	50	10	BBGE	
CNC(=O)OCCN1[C@H]2CC[C@H]1C(=O)OC2=O	1998216331	MHHMRDRBHRGEEK-BQBZGAKWSA-N	242.231	-0.741	50	10	BBGE	
CCN(CC)CCN(C)CCOCC(=O)NN	2003810388	DXPZVKUIXJNYRT-UHFFFAOYSA-N	246.355	-0.734	50	10	BBGE	
NNC(=O)c1cc(CN2CCC23COC3)on1	2004486228	JALORXVOUUJEKJ-UHFFFAOYSA-N	238.247	-0.747	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1c1ccncc1B(O)O	2004925276	OHBZXBBLUHEHCZ-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)c2ccncc2B(O)O)CO1	2004940599	YHXBZMVEELGAQP-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)[C@H]1C[C@H]1F	2006985449	AJJZFCTXYHKQET-CAHLUQPWSA-N	241.002	-0.198	50	10	BBGE	
Cc1nn(C[C@H]2OCC[C@@H]2F)c(C)c1B(O)O	2009186101	MAGKTIUUVQQGFB-DTWKUNHWSA-N	242.059	-0.693	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2(C)CC2)CC1	2009279839	FCCUQBPXEIFEDA-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CO[C@H]2C[C@@H]1C2	2011811831	AFENCXXLYOSCCD-GJMOJQLCSA-N	249.261	-0.279	50	10	BBGE	
CCOC12CC(C1)N(C[C@@H]1C[C@@H]1C(=O)NN)C2	2013071895	OWQYOZHECGXNHE-ZSWLNHAKSA-N	239.319	-0.134	50	10	BBGE	
COC(=O)NCC1CN(CCCC(=O)NN)C1	2014047173	UVOQIOZLDFCTBN-UHFFFAOYSA-N	244.295	-0.956	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1COCCOC1	2014500817	RGWFYKNWJSVABJ-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
O=C(NCC=CB(O)O)c1c(O)cccc1O	2020067232	FFJDRUGSBIDXBC-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc(F)c1F	2021163619	WNCWQLCRSKLEAZ-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
CC(C)(C)COC(=O)N[C@@H](CB(O)O)C(=O)O	2024888014	LXVXHHOLPCALJP-LURJTMIESA-N	247.056	-0.315	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC3(CC2)CC3)n1	2052619556	GUQRZEXOKWMEDE-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
Cc1cnc(OCCn2ccnc2)c(B(O)O)c1	2064612501	YVEUTXWZYZPIBP-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1ncc(OCC2[C@H]3COC[C@H]23)cc1B(O)O	2068627501	HDLXXAVCWLPSSZ-UWVGGRQHSA-N	249.075	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1Cc2cc(O)nnc2C1	2085237353	MIMRPULQLFGCJX-POYBYMJQSA-N	249.274	-0.876	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@]12CNC[C@H]1C2	2210021407	OMJBNISMPNKXCP-KQNBOMKASA-N	214.652	-0.214	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@@H]2CO)[nH]1	2210355327	JZKZEPSFGRNDJP-RITPCOANSA-N	243.698	-0.372	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@H](O)C2)CCC1	2212263688	WVNQVNMOZVNSMX-JGVFFNPUSA-N	231.271	-0.839	50	10	BBGE	
C[C@@H]1[C@H](Nc2nccc(B(O)O)c2F)[C@@H]1C	2212604784	SPTBZZABEYTVJF-GJVVYLMISA-N	224.044	-0.033	50	10	BBGE	
OB(O)c1ccnc(N2CCCCN2)c1F	2212605905	LSDZAZLLLDEJAU-UHFFFAOYSA-N	225.032	-0.995	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@@H]3C[C@@H]3C2)c1	2212606370	SNANEFOZVPOPNV-DIYOJNKTSA-N	219.049	-0.061	50	10	BBGE	
Cc1cn(Cc2cscc2B(O)O)ccc1=O	2214602287	JSVAXIITKNWSLJ-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
Cc1cccc(C(=O)NNCCO)c1C(=O)O	2214867120	MHVUCYUEMODJBP-UHFFFAOYSA-N	238.243	-0.080	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2(CC[C@H]2O)C1	2215771145	GLQGJPQZHRWUCT-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
CO[C@@H](CNc1ncc(B(O)O)cn1)C(C)C	2217172276	IULOBGKILNIGSI-VIFPVBQESA-N	239.084	-0.761	50	10	BBGE	
OB(O)c1ccc(NC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2217183708	NGBARKJAYDZCBI-ZYUZMQFOSA-N	230.076	-0.172	50	10	BBGE	
C#C[C@H](Oc1nccc(B(O)O)c1F)C(C)C	2217196404	RTHGNOMMYFZKTA-VIFPVBQESA-N	237.039	-0.063	50	10	BBGE	
C[C@H]1COCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205346	XNPXCPNDTCIFCP-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)[C@H]2C[C@H]1CN(c1ncncc1B(O)O)C2	2221738440	VHWSYPWRHCHMTR-IUCAKERBSA-N	247.107	-0.361	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)ccc2F)CC1	2223416872	YZPMDSTZYLSBGF-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
Cc1cnccc1CN=c1ccc(B(O)O)c[nH]1	2223637168	CZBBRDBFYDDRMR-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](C3(O)CC3)C2)nc1	2223644053	DHVVICRDPPSLLN-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N2CCOCC23CC3)cc1B(O)O	2223647797	CFLGTCSWGFPJKZ-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@]23CCOC3)cc1B(O)O	2223651810	FGMSYEKBMGEZMU-CMPLNLGQSA-N	248.091	-0.339	50	10	BBGE	
CN(CC12CC(CO1)C2)c1cc(B(O)O)ccn1	2223675161	USDPSVXMMLTOOT-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
C=C(CS(=O)(=O)NCCCC)B(O)O	2241480779	LMQSHEPCDVLMKQ-UHFFFAOYSA-N	221.087	-0.726	50	10	BBGE	
C[C@H](CF)N(C)CCOCC(=O)NN	2241720662	VLXOMGSNGINTET-SSDOTTSWSA-N	207.249	-0.717	50	10	BBGE	
N[C@@H](CO)C(=O)NN(C1CCC1)C1CCC1	2243274635	IYCMWLXXWOKJBF-JTQLQIEISA-N	227.308	-0.256	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H](F)C1	2243348141	UNBMNSWSUNCEAA-SSDOTTSWSA-N	227.000	-0.857	50	10	BBGE	
O=C(NC1CCCC1)c1coc(B(O)O)c1	2243349060	FILJXFSDZFAQIK-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CCN(CCF)C(=O)c1ccc(B(O)O)s1	2243356320	FUCJAWRYWYYXHY-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2243356708	LYYGHNQCOWEPTF-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccc(B(O)O)o1	2243361887	IRJCZQDMXUKZQL-SSDOTTSWSA-N	223.037	-0.512	50	10	BBGE	
O=C1CCCN1C(=O)c1csc(B(O)O)c1	2243362316	PHJZLSPSTBBZFJ-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)C1(B(O)O)CC1	2243365749	RLHKXQOKKOLOIM-XLPZGREQSA-N	225.053	-0.713	50	10	BBGE	
CCN(C[C@H]1CCCO1)C(=O)C#CB(O)O	2243399622	OGYJTRYSSDLYPZ-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CC(C)N(CCN)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243404361	MYUMDFFVCIIMHL-DTORHVGOSA-N	228.101	-0.565	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]1CF	2243411418	SQLCTQPVKPZDKW-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
O=C(NC1[C@H]2COC[C@H]12)C1CC(B(O)O)C1	2243413160	AJHAQZDOQYOPIV-GHNGIAPOSA-N	225.053	-1.000	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H](C)CCC)B(O)O	2243433874	RFCRSMUWWSXPGN-MRVPVSSYSA-N	249.141	-0.090	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCC(B(O)O)CC1	2244171386	SDMKSAUBPQKAOA-SSDOTTSWSA-N	246.097	-0.833	50	10	BBGE	
C=CCN(Cc1nc(C(=O)NN)co1)OC	2244258437	PCVRZPXFMODHFL-UHFFFAOYSA-N	226.236	-0.173	50	10	BBGE	
CC(C)(N)COc1cc(B(O)O)c(Cl)cn1	2245913207	NVGLVUIHXCKAQW-UHFFFAOYSA-N	244.487	-0.469	50	10	BBGE	
CN(C[C@@H]1CCCOCC1)C(=O)C#CB(O)O	2247740212	HUFYTLJVGXNFTB-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
CCOC[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247743286	BJJOEOCWBAZIBZ-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
O=C(N1C[C@@H](O)CCC12CC2)C1(B(O)O)CC1	2247755180	HLRVBLKEYPJPOS-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2C[C@H]2F)c1	2247761704	WMZIKUVGFIUPEA-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247789852	BYDUPPCDLACDJT-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCNC1	2247800933	VCRVHCZTEPQDNZ-LGUIWLBCSA-N	240.112	-0.646	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247805165	JRRRLLNUCWFRRC-BBBLOLIVSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)C12CCC2	2247810692	ZJDNOFFCNDKDCU-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)C#CB(O)O)c1	2247846935	OTBZWRCVBCSVSJ-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccncc1B(O)O	2247872892	ACPCYAWIOQUQEH-UHFFFAOYSA-N	240.043	-0.761	50	10	BBGE	
CC[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247885189	GYXURYQLULAGMS-RNFRBKRXSA-N	239.084	-0.746	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)[C@H]1C[C@H](B(O)O)C1	2247897295	QIOLVPACKNQTBX-CDLYGTGVSA-N	239.080	-0.465	50	10	BBGE	
CC[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247899094	KKIZUBNACROJSD-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900428	WRMZVCGJPPCBFW-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)[C@@H](C)O	2248396487	ZVUWAUUQAUMRLJ-SSDOTTSWSA-N	237.064	-0.752	50	10	BBGE	
CCC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248577699	OGJZKXKWHVMRND-RRQHEKLDSA-N	243.068	-0.391	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1cc(B(O)O)co1	2249428689	FJKYBRDVSUBJHZ-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CNCC1(C)C	2251543223	RAKJJFYZFROAQW-HRDYMLBCSA-N	240.112	-0.694	50	10	BBGE	
C=CC1CC(NC(=O)c2ncccc2B(O)O)C1	2255519713	AOXWCKIJXCJVIA-UHFFFAOYSA-N	246.075	-0.544	50	10	BBGE	
CC1(C2(NC(=O)c3c[nH]nc3B(O)O)CC2)CC1	2255549350	GLHGDALXEPVEIX-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ncncc1B(O)O	2255735821	BLDFICAUANVVFD-KCJUWKMLSA-N	249.079	-0.925	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cc2O)CCC1	2255936820	MQYUCMXUDCOKJI-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(CCCC2)C1	2258122757	GXIYJTHXFWQUBE-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
Nc1cccc(NC(=O)c2cc(B(O)O)co2)c1	2258123203	LWZJAUNCNGBTHL-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369671	BDQUTSZOXVLRAN-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@@H]1O	2298376259	OYXGRZVBWMLLMS-OEZYJKACSA-N	241.096	-0.485	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CC[C@@H]1O2	2298633094	FGCPYAXASLHHAA-BBBLOLIVSA-N	237.064	-0.924	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCCN(C)[C@H]2C1	2299140241	QNGKWBGLDJJLDH-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
O=C(C[C@@H]1CC[C@H]1C1CC1)NCC#CB(O)O	2303014580	AEAGXBCJXYYDOK-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1OC2(C(=O)N3CC[C@@H](B(O)O)C3)CC1C2	2303104064	IMVWPVDAIXPCKP-PRXWZZOHSA-N	239.080	-0.371	50	10	BBGE	
O=C[C@H](O)[C@H](O)[C@H](Cl)[C@@H](O)CCl	1683733	AAKWHPOQUIOZJR-AZGQCCRYSA-N	217.048	-0.886	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCc1ccncc1	82468115	QQVAJWZZPNULCP-VIFPVBQESA-N	222.292	-0.066	50	10	BBGE	
CC(=O)NNC(=O)Cc1csc([C@@H](C)N)n1	82696474	YTENCQVYXFRWNJ-RXMQYKEDSA-N	242.304	-0.127	50	10	BBGE	
Cc1nn(C)c(C)c1OCCC(=O)NN	83893092	OOLVAXGGJWBYSR-UHFFFAOYSA-N	212.253	-0.204	50	10	BBGE	
CC(C)(CSc1nccc(=O)[nH]1)C(=O)NN	86598295	XYBKHUIMHBHGCK-UHFFFAOYSA-N	242.304	-0.122	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2O[C@H]3[C@H](OC(=O)[C@H]13)[C@@H]2Cl	105302531	SIIMPOCAYCQRBK-ZVRAWXRESA-N	218.592	-0.383	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	110580766	FTCWOTQWWKPYAV-GHMZBOCLSA-N	242.367	-0.116	50	10	BBGE	
CCCOCC(=O)NNC(=O)[C@H]1CCCO1	124596401	RCZCGAAWWNBWQB-MRVPVSSYSA-N	230.264	-0.261	50	10	BBGE	
N#C[C@@H]1CN(C[C@H](O)CBr)CCO1	158030860	NYEALPHRDAUPQU-HTQZYQBOSA-N	249.108	-0.033	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@H]1CO	159202668	MFNMPWMHJGFFNG-ZCFIWIBFSA-N	229.685	-0.794	50	10	BBGE	
COC(=O)NS(=O)(=O)N(C)CCCl	168620637	NLPBYUPMXDANJQ-UHFFFAOYSA-N	230.673	-0.242	50	10	BBGE	
O=Cc1ccc(Br)c(B(O)O)c1	206143999	BCVVNWPBPWTKLG-UHFFFAOYSA-N	228.838	-0.059	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](N)C1	216481349	AMIHODYFMYJHNP-DTWKUNHWSA-N	214.313	-0.432	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)C1	226494468	HKZKIVZQITYEMW-RKDXNWHRSA-N	215.297	-0.685	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C(C)C	232419216	GRBSCVGYHPOWJL-DTWKUNHWSA-N	217.313	-0.032	50	10	BBGE	
COc1cc(Cl)c(O)c(B(O)O)c1	238416195	BPUDIHHXYFWKCD-UHFFFAOYSA-N	202.402	-0.266	50	10	BBGE	
O[B-](O)(O)c1nc(Cl)ccc1Cl	238854421	NPGBLNAAYZQMQN-UHFFFAOYSA-N	208.817	-0.489	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)OC[C@@H]1C	299996282	KHWJVRHQQWPYRU-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
OB(O)c1nc(C(F)(F)F)ccc1F	306763108	FSWQRTIFQNIVIJ-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
C[S@](=O)N1CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	306813951	ANOWSSJOKQBACM-VGBGKYFTSA-N	217.246	-0.699	50	10	BBGE	
NNC(=O)N1CC[C@](O)(C(F)(F)F)C1	307532968	NBYOCIBKESETGR-RXMQYKEDSA-N	213.159	-0.431	50	10	BBGE	
C[C@](O)([C@H](O)CCl)[C@@H](O)CCl	307655222	NWWSZHSWWCHNLS-FMCRUOTFSA-N	203.065	-0.063	50	10	BBGE	
OB(O)c1ccc(OCO[C@@H]2CCOC2)cc1	310402809	UYKGGTSUPNJGPE-LLVKDONJSA-N	238.048	-0.492	50	10	BBGE	
COC1(C)CN([C@@H](C)CC(=O)NN)C1	382591297	GNFOEMXBXIYWQI-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@@H](C)C(=O)NN	383059361	HUMVVGBWPXKJHH-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)cc1[N+](=O)[O-]	396049134	IQGAJWYCKUWZLQ-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1C#N	396087365	BCFPBPUXQODQMN-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
OCc1csc2c(B(O)O)cc(O)cc12	396333017	ALJVTTHOEIQDFA-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC(=O)Nc1ccc(F)cc1B(O)O	405145887	MYHBGGVTZWDLPT-UHFFFAOYSA-N	212.973	-0.316	50	10	BBGE	
N#Cc1ccc(C[S@](=O)CC(=O)NN)cc1	526889899	SOQHFSDCTNBCFZ-INIZCTEOSA-N	237.284	-0.203	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@@H]2NCCN[C@H]21	685990270	PBRPDECAAVQWHZ-UTLUCORTSA-N	226.324	-0.691	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCC[C@@H]1OCC2	687485491	NLALCZKVGDHKJU-OIBJUYFYSA-N	227.264	-0.948	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1[C@@H](C)CC(=O)NN	688638788	IFWDTCHZHWOGMB-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CCN1CC[C@H](N(C)[C@H](C)CC(=O)NN)C1	689049253	SYGRFMQBQZPTPK-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](Cl)CCNCc1nnnn1C	697724337	SUFHKKRVCHAAFJ-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
CN(C)c1cc(C(=O)NNC(N)=S)ccn1	700853500	ZEZCWTJRACKILB-UHFFFAOYSA-N	239.304	-0.374	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)C1CC1	700865682	LNIWXWYNLIQMKN-RXMQYKEDSA-N	203.267	-0.724	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@]12COC[C@@H]1C2	703444240	NVPQAQBZCUZCJN-HAYRHPOISA-N	237.255	-0.061	50	10	BBGE	
CN(N)C(=O)c1ccc(CNC(N)=O)cc1	704675676	BFQUSRABWMJBFL-UHFFFAOYSA-N	222.248	-0.199	50	10	BBGE	
COC[C@@H]1CN([C@H](C(=O)NN)C(C)C)CCO1	705868596	BTPRTWGQTFQZGS-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718901139	FXUSIGAUBRTTKH-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
CC(=O)N1CCCc2c(B(O)O)cccc21	725670794	ZKVALXOJXSYTIS-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
Cn1ncc(S(=O)(=O)NCCCl)n1	725680503	LMYNXVOKFVDFCI-UHFFFAOYSA-N	224.673	-0.668	50	10	BBGE	
CNC(=O)N1CCCc2ccc(B(O)O)cc21	725699280	SRNOWYYGJFLRRQ-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1CCCS1	743333369	OYPUFBREFGYWIC-SSDOTTSWSA-N	231.321	-0.409	50	10	BBGE	
O=C(NN=Cc1cc[nH]c1)[C@@H]1COCCO1	745209182	YBZYXKMTEWHRDS-VIFPVBQESA-N	223.232	-0.120	50	10	BBGE	
C/C=C\CNC(=O)NNC(=O)[C@H]1COCCO1	858262003	GMSSGAMJFGBOLP-YAJNLLPGSA-N	243.263	-0.692	50	10	BBGE	
CCCNC(=O)NNC(=O)C12CCN(CC1)C2	900392952	IGTFEBWBCXRTDY-UHFFFAOYSA-N	240.307	-0.177	50	10	BBGE	
O=S(=O)(CCl)N1CC(N2CC(F)C2)C1	1260927726	YZWNQRIQVJJZSW-UHFFFAOYSA-N	242.703	-0.150	50	10	BBGE	
CC(=O)NNC(=O)c1cc(Cl)n(C)n1	1290391598	HCQRJCJHDDNQEZ-UHFFFAOYSA-N	216.628	-0.146	50	10	BBGE	
O=C(CC1(O)CCCC1)NNc1nc[nH]n1	1472573909	FRGFMKLBWQROJV-UHFFFAOYSA-N	225.252	-0.057	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc2c1CC(=O)N2	1539518507	SARVWISENROVLL-UHFFFAOYSA-N	234.215	-0.643	50	10	BBGE	
CCNC(=O)NNC(=O)C12CCCN1CCC2	1626812840	LRVMINJLRUICPY-UHFFFAOYSA-N	240.307	-0.035	50	10	BBGE	
CC(C)C(=O)NNC(=O)CSc1cnn[nH]1	1640950090	QVUKXDWCCSGMOC-UHFFFAOYSA-N	243.292	-0.300	50	10	BBGE	
N[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1877519559	GOKHYTXCYKYBFR-OSMVPFSASA-N	218.684	-0.154	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1CC[C@H]1O	1878139571	JSDYMEGZSOQTLR-CRCLSJGQSA-N	244.110	-0.219	50	10	BBGE	
CS[C@H]1C[C@@H](C(=O)NNC(N)=S)C1	1886769070	DHKAUITWRPACKJ-SYDPRGILSA-N	219.335	-0.008	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1894150350	QTLBELKYVPERJM-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@]2(CO)C1	1894666222	OFTFWMNPNPLJAF-SDNRWEOFSA-N	227.308	-0.685	50	10	BBGE	
C=C(CN(C)C[C@H](C)COC)B(O)O	1895148825	LTHLXLBBFUKOHW-QMMMGPOBSA-N	201.075	-0.231	50	10	BBGE	
C=C(CN1CCOC[C@@H]1CF)B(O)O	1895169741	RBWHXEGAUHPUHY-QMMMGPOBSA-N	203.022	-0.775	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1CCCC(=O)NN	1900249577	ACVSKIHKKKGFJC-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H](F)C1=O	1901646350	GPVZRAFJOVWAOJ-RXMQYKEDSA-N	239.197	-0.428	50	10	BBGE	
Nc1cnn(C2CN(C(=O)[C@H]3C[C@H]3Cl)C2)n1	1902153466	DWQWHNCWEBKARR-NKWVEPMBSA-N	241.682	-0.129	50	10	BBGE	
CC[C@](C)(CN1CCOCC1=O)C(=O)NN	1902720177	MWFAQKLBBKEAKN-SNVBAGLBSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H]1[C@H](O)CCN([C@H](C)CC(=O)NN)[C@@H]1C	1903265790	PPHXJKOIXHSDLS-UTINFBMNSA-N	229.324	-0.154	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCCO[C@@H]21)N1CC[C@@H](B(O)O)C1	1905582961	DUNWSNORUHFBOC-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H](C)CC[C@@H]1C(=O)O	1907487586	IAQUKCLPLKKFKI-HTRCEHHLSA-N	243.263	-0.909	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@@H]3C2=O)C1	1908359161	SMGXUEUOPKWLJH-JXUBOQSCSA-N	237.303	-0.129	50	10	BBGE	
COCC1CN(Cc2cc(C(=O)NN)no2)C1	1916281008	GPCPOGFVDUOLGA-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
C[C@H](SCCNCCN)[C@H](C)C(=O)NN	1923474327	DKCBPGKCHHHXAY-YUMQZZPRSA-N	234.369	-0.718	50	10	BBGE	
C[C@@H]1CCC(=O)N1CC(F)(F)C(=O)NN	1927815817	BXURIUUHJJKPRH-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC1CCOCC1	1927916483	DYEJWQQXXDQVOE-IONNQARKSA-N	214.265	-0.192	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C)[C@@H]1CO	1929739856	BLMJFSWAAFLHJQ-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NCB(O)O)S1	1931579930	DAAFIKCVAQUKAA-NTSWFWBYSA-N	203.072	-0.601	50	10	BBGE	
ClCCOC1CN(CCn2cnnn2)C1	1932104725	YGTXPHOUNZUQPC-UHFFFAOYSA-N	231.687	-0.387	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)CC(=O)NN)C1	1954964312	OFGACSMFPBFJFA-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1957560342	SEFQZHKZMKTLTE-WUNMTQJUSA-N	233.695	-0.138	50	10	BBGE	
CCC[C@@H]1COCCN1[C@H](C)C(=O)NN	1961275594	BCLJUFUHNCMMIM-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]1CF	1961512703	JESGZFWBRDISLF-MRVPVSSYSA-N	219.260	-0.573	50	10	BBGE	
CCC[C@H](C)Oc1ncncc1B(O)O	1961687512	MIUFRCGYVZQUHW-ZETCQYMHSA-N	210.042	-0.276	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](F)[C@@H](CO)C1	1974556721	KZAFPSQZWWBYMU-PRJMDXOYSA-N	219.260	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1C(F)F	1974583232	HNBPLAKBWKRWCX-RITPCOANSA-N	223.223	-0.669	50	10	BBGE	
NNC(=O)c1sncc1CSC1CNC1	1975115246	KPHHYBXIIRMMEY-UHFFFAOYSA-N	244.345	-0.048	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	1978833138	ZYAJFMZQSWCETK-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CCN(CCC(=O)NN)Cc1ccnn1C	1980754009	ZEASVVGYWJYMSQ-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@@H]3C2)nc1	1981413221	CZMYFHMVUZSQEM-HTQZYQBOSA-N	219.053	-0.997	50	10	BBGE	
CC1(Oc2ncc(B(O)O)cn2)CCCC1	1981420441	LDKMVLCKPCPLSD-UHFFFAOYSA-N	222.053	-0.132	50	10	BBGE	
C[C@H](CCOC[C@H]1C[C@H]1C(=O)NN)N(C)C	1983693744	KJSLURPLZMTOMP-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1ccn(C2CC3(C2)CC3(F)F)n1	1984274656	MHCDQRYQFXSJTK-UHFFFAOYSA-N	228.007	-0.077	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(C1)OC[C@H](O)[C@@H]2O	1986229908	CLLGUICCGYGSJE-FXQIFTODSA-N	249.694	-0.663	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OC[C@H]2C[C@H]2C(=O)NN)C1	1986235734	PKNHZBMOFUCBGU-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
O=C1NC(=O)[C@@H](C2CN(CC=CCCl)C2)N1	1986668760	CWJVNOMQDPXLBL-MRVPVSSYSA-N	243.694	-0.079	50	10	BBGE	
CO[C@@]1(CNC(=O)C(=O)NN)CCCSC1	1990328133	KXWHQTDBIPYPGG-SECBINFHSA-N	247.320	-0.995	50	10	BBGE	
CSC[C@H]1CCN(CC(=O)NNC(C)=O)C1	1990774152	FLJODDNCTXSMDX-VIFPVBQESA-N	245.348	-0.161	50	10	BBGE	
C[C@]12C[C@](Cn3cc(B(O)O)cn3)(CO1)C2	1993902432	BSBSJAPCGHUNGA-AOOOYVTPSA-N	222.053	-0.868	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999846798	KDWXBTYFDUOLBC-YTWAJWBKSA-N	241.335	-0.296	50	10	BBGE	
CC1CC(CO)(N(C)CCOCC(=O)NN)C1	2000584270	BCUGPJWDMSBEET-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[C@H]1CO	2000985335	WSOMPXFFYMUVKH-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
CO[C@H]1CC(N(C)CCC(=O)NN)C[C@@H]1OC	2001480316	JCXJZORQRHZHGC-UWVGGRQHSA-N	245.323	-0.509	50	10	BBGE	
Cc1ccnc(N2CCOC[C@H]2C)c1B(O)O	2004918441	LVTQZIBVBWIFCZ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
COc1nc(OCCC2CC2)ncc1B(O)O	2004925460	QNZHLKKMCICWHR-UHFFFAOYSA-N	238.052	-0.656	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(CC(C)(C)C(=O)NN)CCO1	2005913033	NXUMJJNFIOHWJY-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]2[C@@H]1CCN2C	2012126710	DNUDXTGSHBLDCC-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	2014221953	IPRDALHJKNZOIK-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
CC1(C)CC[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2014906057	ZTZVKXXXVAGQMT-BQBZGAKWSA-N	243.068	-0.535	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC([N+](=O)[O-])C2)C1	2016889240	PRXPEHAPFUZRLU-YUMQZZPRSA-N	242.279	-0.647	50	10	BBGE	
N#CC1CN(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1	2018243078	PMQSEWWZDLKITH-VHSXEESVSA-N	238.291	-0.631	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1ccc(B(O)O)cn1	2025752875	NJCPAILUANAIEU-GZMMTYOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1cc(N(C)[C@H]2CCN(C)C2)ncc1B(O)O	2052472133	JRNBAUOVZMEQNF-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@]2(CCCO2)C1	2052499503	UXXNULPWOSQQSS-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@H]1C[C@@H]2C[C@@H]2C1	2055741467	UDCNWMIFIHEJFN-RNLVFQAGSA-N	244.063	-0.523	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NNC(N)=O)O1	2209648131	VARGZWLAWFHMJW-NTSWFWBYSA-N	201.226	-0.357	50	10	BBGE	
COc1cnn(Cc2cc(B(O)O)cs2)c1	2211072873	SMKKMYIHGPPTRF-UHFFFAOYSA-N	238.077	-0.319	50	10	BBGE	
OB(O)c1ccc(CN2O[C@H]3C=C[C@H]2C3)s1	2211082064	ZEKDIUZZBGZTAL-YUMQZZPRSA-N	237.089	-0.128	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CCC12CC2)C(=O)NN	2211243896	IOKLWTAPMARHQZ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](CCO)Nc1cc(B(O)O)ccn1	2212602424	DFZIBBOCSIXUIU-VIFPVBQESA-N	224.069	-0.666	50	10	BBGE	
CC(C)[C@@H](CO)Nc1ncccc1B(O)O	2212602690	ICMQVTQPXMSRFY-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
Cc1cnc(N[C@@H](C)CCN)cc1B(O)O	2212603597	HBMCUTVOULBNAI-QMMMGPOBSA-N	223.085	-0.781	50	10	BBGE	
CC[C@H](COc1ccc(B(O)O)cn1)NC	2212608735	LFOJKOPXIJQYDC-SECBINFHSA-N	224.069	-0.862	50	10	BBGE	
C=C[C@H](Nc1ncc(B(O)O)cn1)C1CC1	2212612841	PGUQKHRWRUDXPY-VIFPVBQESA-N	219.053	-0.467	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2[C@@H](O)CCC[C@H]2C1	2213405294	LXNOACNMKSTLDI-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1Cc1cccc(B(O)O)c1	2214601229	KZDRFVNQYGQZBF-SKDRFNHKSA-N	234.108	-0.712	50	10	BBGE	
CC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CC=CC1	2215807887	SHISTXZOFIPYCH-ZETCQYMHSA-N	241.052	-0.615	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ccno1	2216236344	IOYYXAFRQJDSKL-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2C(N)=O)CCC1	2216495550	PUISQYUJOBIWAB-QMMMGPOBSA-N	240.307	-0.904	50	10	BBGE	
CCN(CCO)CC1(C(=O)NN)CCOCC1	2216870014	GHGLVKKRPWEIFJ-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
CN(CCCO)CC1(C(=O)NN)CCOCC1	2216870737	KNPQFTFVXUAAMH-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
C[C@@]1(COc2ccc(B(O)O)cn2)CCNC1	2217180756	VQRDDCSVTKRTJS-LLVKDONJSA-N	236.080	-0.860	50	10	BBGE	
CC1(C)C[C@H](CNc2ccc(B(O)O)cn2)O1	2217185442	XMKAOWOSADPHOH-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](N)C(C)(C)Oc1ncc(B(O)O)cn1	2217193784	XNHDSHNTVVIVCI-QMMMGPOBSA-N	239.084	-0.949	50	10	BBGE	
CO[C@H]1C=C[C@H](Nc2cc(B(O)O)ccn2)C1	2217197711	PXYVDNKGVKCWPO-UWVGGRQHSA-N	234.064	-0.483	50	10	BBGE	
C[C@H]1CNC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217199718	OPNFHAQHBKTHEH-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
CCO[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C1	2217202904	MURUVEUCAOCPFD-MGCOHNPYSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2ncccc2B(O)O)O1	2217202934	NHRHGLFPLWAELG-IUCAKERBSA-N	236.080	-0.259	50	10	BBGE	
CC(C)OC(=O)CNc1ccc(B(O)O)cn1	2217204797	OZSXGRAXRWJLLC-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@@H]3CC[C@H]32)c1	2223624581	AITORXIPKOOZGF-GMTAPVOTSA-N	247.107	-0.686	50	10	BBGE	
CNC1(C)CCN(c2cc(B(O)O)ccn2)CC1	2223634394	KGMDRFBHROJCGK-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
N[C@H]1CN(c2ncccc2B(O)O)C2(CCC2)C1	2223641703	CPWHLHKVHQALHU-SECBINFHSA-N	247.107	-0.779	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCNCC23CC3)nc1	2223644088	DRBSBFYGZRLGHS-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](O)CC3(CC3)C2)nc1	2223666695	KTWXLRWFNGCSMC-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
CC[C@@H]1CN(c2ccc(B(O)O)cn2)CC[C@H]1N	2223671517	NFIYVMCICCQQDM-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1Nc1cc(B(O)O)ccn1	2223675956	UUKWXEIPRXMRFQ-MNOVXSKESA-N	249.123	-0.167	50	10	BBGE	
CCOC[C@H](NC(=O)C#CB(O)O)C(C)C	2243361861	IJIXCROSRUJHBW-VIFPVBQESA-N	227.069	-0.821	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CCCCN1	2243362538	SJFBQMWZAKTVNT-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
CCN(O)C(=O)c1cccc(C)c1B(O)O	2243367782	YKFPZQQAOUFQAX-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
CNCC[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383337	XANCVJCALRGJJV-HLTSFMKQSA-N	228.101	-0.646	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)C1(B(O)O)CC1	2243398096	MMJQMXCPJYLSMM-SECBINFHSA-N	228.101	-0.421	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=C(F)C1	2243398131	MXOFBWYLHRXMJC-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
CC1=CC[C@@H](CNC(=O)C#CB(O)O)CC1	2243400558	DATWTPBGLFHNIC-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ncccc1F	2243401538	SNBKPNORGMHYOU-UHFFFAOYSA-N	221.984	-0.801	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CO1	2243411011	MAUKFQTXWZIRKF-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1occc1B(O)O	2243411754	ZNKHKDYFRWCYEY-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
C=C(CS(=O)(=O)NCC1[C@H]2CC[C@H]12)B(O)O	2243412251	JCLKWJAXFPGSAC-YUMQZZPRSA-N	245.109	-0.870	50	10	BBGE	
CN(Cc1ccsn1)C(=O)[C@H]1C[C@H]1B(O)O	2243415092	OAIVSKHKIWCLHQ-JGVFFNPUSA-N	240.093	-0.036	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243415164	PLSKDAOWKPBKBH-CSMHCCOUSA-N	229.085	-0.485	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1(Cl)CC1	2243702154	LMJLPXNFFOWAKW-UHFFFAOYSA-N	240.455	-0.529	50	10	BBGE	
Cc1nc(CN2CCC(B(O)O)CC2)no1	2244176656	JDVVBVJZCOYGMG-UHFFFAOYSA-N	225.057	-0.183	50	10	BBGE	
O=C(NCCC(F)F)c1ccncc1B(O)O	2247723966	WQNKQTIGUXEKRZ-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CCC(N)CC1	2247754661	HCYJHBRXXFQGRK-UHFFFAOYSA-N	240.112	-0.278	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CC1	2247754961	OGRTVEAJTPZGIJ-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)C1(B(O)O)CCC1	2247755125	GVODDFWHGKULFS-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC(C)CCNC(=O)c1cncc(B(O)O)c1	2247775083	GTEVEDNPCWDXHV-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
O=C(NOC1CCOCC1)[C@H]1C[C@H](B(O)O)C1	2247801228	YNAGUGNEKAICME-ZKCHVHJHSA-N	243.068	-0.534	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H](B(O)O)C1	2247808777	MMQJMXGTVHLPHK-AATLWQCWSA-N	238.096	-0.846	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccoc1B(O)O	2247848972	SXWRBGFJFUDIAJ-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850353	NHKHCDSEYYSMQB-HTQZYQBOSA-N	236.080	-0.530	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1occc1B(O)O	2247856194	FPJJUUOYEXVGBG-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
C[C@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@H]1F	2247869948	BGUXYPUYXMDHPM-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
N#Cc1ccnc(NC(=O)C2(B(O)O)CC2)c1	2247874004	NQEVYCXVCUTNAI-UHFFFAOYSA-N	231.020	-0.101	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C(F)F	2247874737	SWRRFOFEIUSWHK-NTSWFWBYSA-N	248.038	-0.956	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1occc1B(O)O	2247878511	KXOGBJPFHKJABP-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
CCOC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894045	BSUANDWTLJHGPW-PRJMDXOYSA-N	243.068	-0.693	50	10	BBGE	
C/C=C/C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248575752	HXFGWKPTLFHWJT-VFVFOCSOSA-N	241.052	-0.615	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCN1	2249945593	QCZYLTYRJVAAMG-NFTFJBJSSA-N	240.112	-0.504	50	10	BBGE	
CCCC=CCNC(=O)c1ccncc1B(O)O	2255449063	KJKZJDTYSVBLLR-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2255462106	QHSGRIWYDKVNKZ-ZTVLKNOQSA-N	247.103	-0.057	50	10	BBGE	
C[C@@H]1CCC=C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255472923	IKFNQXPMNYRKJI-PSASIEDQSA-N	248.091	-0.221	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1occc1B(O)O	2255489416	STYQQOHBDLOKST-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
COc1ccc(C(=O)NC2CCC2)cc1B(O)O	2255502186	WLRQDRPFPSUBAT-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1cncc(B(O)O)c1	2255521067	RLCUCGSPWFKFRI-CABZTGNLSA-N	246.075	-0.566	50	10	BBGE	
O=C(NCCc1ccc(O)cc1)[C@H]1C[C@H]1B(O)O	2255569764	YUCOCSNVKWFWSS-WDEREUQCSA-N	249.075	-0.086	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018136	XFZACBOLUCRYJD-SNVBAGLBSA-N	249.075	-0.400	50	10	BBGE	
Cc1c(NC(=O)c2cocc2B(O)O)cnn1C	2258125709	AZKBOEDKTHOOHO-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CC(=O)NNC(=O)CN1CCc2cccnc2C1	2261397571	JKHSYMNKDBBVQF-UHFFFAOYSA-N	248.286	-0.393	50	10	BBGE	
CC(C)(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1B(O)O	2298369854	HOZLHXHCVIABDL-DJLDLDEBSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOC[C@H]1C(F)F	2298370102	OOROKXNWHGCCKR-XVMARJQXSA-N	249.022	-0.658	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@@H]12)[C@@H]1C[C@H]1B(O)O	2298371343	ISZYQPWNPBUHMW-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2298371352	JJPLDXGLOGZLGF-AXTSPUMRSA-N	240.112	-0.552	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCNC1	2298377141	GFQSBLQCURUZPE-WCABBAIRSA-N	240.112	-0.645	50	10	BBGE	
CCN(CCC[C@@H]1C[C@H]1C(=O)NN)CC(N)=O	2300372471	QVMWHGBSCMKXDL-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
C#C[C@@H](C)N(C)c1ccc(C=O)c(B(O)O)c1	2301453111	QIHHQXVEMPAZRY-SECBINFHSA-N	231.060	-0.363	50	10	BBGE	
O=Cc1ccc(Sc2nc[nH]n2)cc1B(O)O	2301467025	PEFJIKJSSUDMQJ-UHFFFAOYSA-N	249.060	-0.552	50	10	BBGE	
C[C@H]1[C@H](Oc2ncncc2B(O)O)CC1(C)C	2302112289	RWKIYVXVBSMURZ-IONNQARKSA-N	236.080	-0.030	50	10	BBGE	
O=C([C@@H]1C[C@@H]2C[C@@H]2CO1)N1CC[C@@H](B(O)O)C1	2303105159	NUVKRXNWRWBDBR-JLIMGVALSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1cc(B(O)O)c(F)cn1	2303834513	HVQNYVSZTPNNHL-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2CC2(F)F)[nH]cc1F	2303835253	TVAGQPFHPUBTLY-YFKPBYRVSA-N	245.997	-0.611	50	10	BBGE	
OB(O)c1cc(N2CC(C(F)F)C2)ncc1F	2303837165	WSXGHKSPJOXHFE-UHFFFAOYSA-N	245.997	-0.398	50	10	BBGE	
C[C@@H](CN)CCOc1cc(B(O)O)c(F)cn1	2303855956	RHFNADVUGUDJBE-SSDOTTSWSA-N	242.059	-0.736	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C[C@@H](CN)C1	2317163102	VWYJDTFNECUIEX-DKTWLAJQSA-N	246.075	-0.646	50	10	BBGE	
CCCNCCNc1ccc(B(O)O)cc1C#N	2317166845	ZZCAQWCEZVXPNL-UHFFFAOYSA-N	247.107	-0.350	50	10	BBGE	
N#C/C(C(=O)NN)=C1/C(=O)Nc2ccccc21	5517141	BWDJYAHLPYLDCN-CLFYSBASSA-N	228.211	-0.094	50	10	BBGE	
CNC(=O)[C@H]1CCCN1C(=O)NC(=O)CCl	42397691	BMQBDJQCZSIKNO-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1CO	82470214	KSMBTXQMHCNYRQ-BDAKNGLRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](Sc1cnn(C)c1)C(=O)NN	82473324	BPURSSQFIBHTKA-RXMQYKEDSA-N	200.267	-0.109	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(C)(O)CC1	88023285	OZRQJISPFPKJRB-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(C(=O)NN)cn2)n1	94764177	JEKXXHKIWSGXEG-UHFFFAOYSA-N	246.274	-0.058	50	10	BBGE	
C/C(=N\NC(N)=O)[C@@](C)(N)CCC(=O)O	218863018	VLRQNKLHVAJIKG-UASDCXGESA-N	216.241	-0.387	50	10	BBGE	
OB(O)c1ccc(F)c(O[C@H]2CCOC2)c1	229339087	WGYHZNDLFIYYBX-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
CN(C)c1ccc([N+](=O)[O-])c(B(O)O)c1	238313052	WEPFZVYTTHBWOF-UHFFFAOYSA-N	209.998	-0.659	50	10	BBGE	
COC(=O)[C@H](CSC#N)NC(C)=O	238799594	QTHZDWRTORWTKD-LURJTMIESA-N	202.235	-0.122	50	10	BBGE	
[C-]#[N+]C1=C[C@](O)([C@H](C)O)[C@H](O)[C@@H]1Cl	306315968	CPHWWEVFVFERCX-IHBLQFBFSA-N	203.625	-0.117	50	10	BBGE	
O=C(CCBr)N[C@H]1COC[C@H]1O	307632980	QPJOUCXTNCAKDS-NTSWFWBYSA-N	238.081	-0.353	50	10	BBGE	
C#CCNC(=S)NNC(=O)CSC	308193066	PRLLPLUMWINQIQ-UHFFFAOYSA-N	217.319	-0.522	50	10	BBGE	
CNC(=O)CC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	382301928	XSOOLZCAEDKLPF-YUMQZZPRSA-N	242.323	-0.931	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@H](C)C(=O)NN	385966125	ZNJHGOPMFYKDAG-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CCOC[C@H]1C	390404168	AZSSGXQYOBCZBX-VXNVDRBHSA-N	229.280	-0.832	50	10	BBGE	
CCOC(=O)Cc1cccc2nc(B(O)O)oc12	396114655	PWHQKNXHRUDQJO-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
Nc1cc(CO)c2sccc2c1B(O)O	396238539	DZVLUAHTUCCTSY-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]([C@H]1CC1(C)C)N(C)C(=O)C(=O)NN	397649135	SYOIBESSLWQVGJ-NKWVEPMBSA-N	213.281	-0.131	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H](O)CC[C@H]2C1	398892262	ZVAGEDVAUUOAHX-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CCCNC(=O)Nc1ccccc1B(O)O	405189431	RTVHRCOGWDHPGF-UHFFFAOYSA-N	222.053	-0.102	50	10	BBGE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NN)C2	496251958	FPHMXIQQWREYNB-FXQIFTODSA-N	242.279	-0.221	50	10	BBGE	
CC1(C)COC[C@H]1NCc1ccc(B(O)O)cc1	585044502	LLGPSQXCUGCZKI-GFCCVEGCSA-N	249.119	-0.119	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703809920	WNKRHRBKEYWQHW-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
CO[C@H](C)C(=O)N1CCc2cc(B(O)O)ccc21	712201604	HGMUIQYQZLLANO-MRVPVSSYSA-N	249.075	-0.710	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](F)[C@H](F)C1	714558475	NVDYQTYBCICYJV-DKXJUACHSA-N	221.251	-0.007	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H]2CO3)n1	718290833	RLPNDGMNBVECRW-BQBZGAKWSA-N	238.247	-0.749	50	10	BBGE	
ClCc1c[n+](CC2=[S+]CN=C2)n[nH]1	725582639	DBJFDWKXFGHWFE-UHFFFAOYSA-O	216.697	-0.267	50	10	BBGE	
CCNC(=O)NNC(=O)CC1(C)COC1	1119789928	IPJIFNDEMRAACL-UHFFFAOYSA-N	215.253	-0.237	50	10	BBGE	
CC(=O)NNC(=O)c1nn(C)cc1[N+](=O)[O-]	1135818671	WZPGCCISJXKKRE-UHFFFAOYSA-N	227.180	-0.891	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)Cc1ccncc1	1137172272	AYIUHMKWTQPUMX-VIFPVBQESA-N	235.243	-0.682	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2ccon2)n1C	1261830135	LNZBKZNUJORPCM-UHFFFAOYSA-N	236.235	-0.203	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnc(O)n2C)n1	1306835361	MFXVWAXWVWOPRH-UHFFFAOYSA-N	236.235	-0.384	50	10	BBGE	
O=C(NN=C1COC1)c1ccc(CO)o1	1335346985	IQINJGVOTRISCM-UHFFFAOYSA-N	210.189	-0.112	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)c1ncon1)C1CC1	1439772176	JQFGZCBNPLTSKS-LURJTMIESA-N	240.219	-0.744	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	1450267088	AYTQJEUIUPNXOB-BQBZGAKWSA-N	216.237	-0.916	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)c1cc[nH]c1	1545111655	ZEIJDRGXGAGQAL-MRVPVSSYSA-N	239.231	-0.809	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1Br)C(N)=O	1877334452	PMYJSFBMNNWGAV-UOWFLXDJSA-N	235.081	-0.240	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)CCl)C[C@@H]1O	1877551413	QTFAMRCTFVAWDB-POYBYMJQSA-N	207.657	-0.431	50	10	BBGE	
CSSCCNC(=O)[C@@H](O)[C@@H](C)N	1881807475	KJXFJEFASGHSGL-RITPCOANSA-N	224.351	-0.178	50	10	BBGE	
N[C@H](CS(=O)(=O)C[C@H]1C[C@@H]1Cl)C(=O)O	1893120774	YKHXZPVOBYEBHX-NGJCXOISSA-N	241.696	-0.560	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)NCC=CB(O)O	1899970814	CILNIOIUWFLNBS-QMMMGPOBSA-N	227.069	-0.657	50	10	BBGE	
CC(C)(CCCl)C(=O)NC(C(N)=O)C(N)=O	1900362599	XOAXKTJZCXZTAX-UHFFFAOYSA-N	249.698	-0.903	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)CCl)C[C@H]21	1900559717	XRYOGWPZOHLMDB-FMCRUOTFSA-N	238.696	-0.824	50	10	BBGE	
CN(NC(=O)c1ccncc1N)S(C)(=O)=O	1901349366	YLLRYJOXHZTHRU-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2cccnn2)C1	1902515242	DKLYWOJQPMFOQG-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
OB(O)c1csc(CN2CC3CC(C3)C2)n1	1902638017	UJMVQQQIINCTDN-UHFFFAOYSA-N	238.121	-0.335	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2(CC1)COC2	1907724343	QSSZENVLSFBPKK-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H](O)C[C@H]2C1	1908743375	YJJLXIATLWGDKF-OGBGREFGSA-N	239.319	-0.685	50	10	BBGE	
COCC1CN(C[C@@H](C)C(=O)NN)C1	1916282039	VRFGLUDGTGDWAT-SSDOTTSWSA-N	201.270	-0.809	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926421851	SOLKCCDPCOESFY-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2[C@H]3CCC[C@H]32)c1	1930484530	MYZSCOGQBNMEEM-MYJAWHEDSA-N	206.054	-0.391	50	10	BBGE	
O=S(=O)(C[C@H]1CC[C@@H](F)C1)NCB(O)O	1930654989	XIVCYXYVYQZYKH-NKWVEPMBSA-N	239.077	-0.944	50	10	BBGE	
C[C@H](CC#N)N(C)CC1(C(=O)NN)CC1	1931266550	HRBZGENVAACOOI-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](N)CSCCOCC(=O)NN	1931388133	CRZLWFOMPUCXAH-LURJTMIESA-N	207.299	-0.927	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)CC(C)C	1933489178	ZUBOSUKJJUKQHF-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
NNC(=O)c1cncc(CSCC(N)=O)c1	1935733807	UTAIDPYPGIETSI-UHFFFAOYSA-N	240.288	-0.596	50	10	BBGE	
COC[C@H](Cl)CN(C)C(=O)Cn1cnnc1	1937140859	KTIIGUQSIJYICJ-MRVPVSSYSA-N	246.698	-0.010	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@]2(CCCO2)C1	1941394950	TZGVBWIYSPVISK-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943085155	PDLZQQOKYPSOAD-CHWFTXMASA-N	239.319	-0.685	50	10	BBGE	
C[C@@]12C[C@H]1C(=O)N(CCCCC(=O)NN)C2=O	1946986545	BIFGWKGMIURCMH-WRWORJQWSA-N	239.275	-0.458	50	10	BBGE	
Cc1ccc(CN2CC[C@@H](B(O)O)C2)nn1	1951319951	ATPRXQTUUSWDKF-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
OC[C@@H](Br)Cc1nn[nH]n1	1951575195	DSPNCLHOAGSCME-VKHMYHEASA-N	207.031	-0.502	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@H]1CO	1953154267	XSTDIYLKOBDDIJ-CRCLSJGQSA-N	208.055	-0.122	50	10	BBGE	
O=C(CC1(O)CNC1)NCC(Cl)Cl	1953839941	JRNHGQZWVBMIKC-UHFFFAOYSA-N	227.091	-0.369	50	10	BBGE	
O=C(CCl)N1C[C@@H](O)[C@@H]2COC[C@@H]21	1954368104	ZKLGLHAXEBKACL-DSYKOEDSSA-N	205.641	-0.557	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@@H](O)C1	1960249802	WRFAGFPIUNSIAK-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@]2(O)C1	1961407563	VUQHILFAMZETBS-SCZZXKLOSA-N	213.281	-0.787	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)C1CC1	1961692565	URQLCJFAMBVLEA-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
NNC(=O)c1sncc1Cn1cncn1	1961922848	ZLOBFYDARUZQBX-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
O=C(NCC=CCl)c1cccc(B(O)O)c1	1963594359	IZNNMJSIALXFOT-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)[C@H]1C[C@H](O)C1	1975304348	QOMTWQDLPCRINO-FNCVBFRFSA-N	215.297	-0.544	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976978596	ASVKSWFJVHDPAP-JHEQGTHGSA-N	229.041	-0.925	50	10	BBGE	
CN(CC1CC(C2CC2)C1)C(=O)C(=O)NN	1980547460	FIQJMCDWQGPFLA-UHFFFAOYSA-N	225.292	-0.129	50	10	BBGE	
CC(C)N1CCCN([C@H](C)C(=O)NN)CC1	1980743354	INGFSBAFGQRXMP-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2C[C@H]2C1	1981409854	SEGWCXZKDYAKJQ-YUMQZZPRSA-N	219.053	-0.997	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1nc(=O)o[nH]1	1981482650	MMZWQJQPTJIZAB-VKHMYHEASA-N	248.626	-0.684	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSC[C@H](O)CO)C1	1985357062	LQUUPVZWBZENBF-IWSPIJDZSA-N	248.348	-0.521	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCNC(=O)C1	1987023688	YMJWLOPUJZXUMF-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
CCNC(=O)N[C@H](C)c1nscc1B(O)O	1987173989	CZUINTRRHYGTML-RXMQYKEDSA-N	243.097	-0.797	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H](O)CC12CNC2	1991702323	SIUQQXOZLXRBBC-AMDVSUOASA-N	244.722	-0.061	50	10	BBGE	
CN1CCC[C@@H](OCC2(C(=O)NN)CC2)C1	1992111950	VPNFNNQGWFJSHZ-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](N)CSCC12CC(C(=O)NN)(CO1)C2	1993890078	WTCGHGXGKCNPQF-CUUXFQNZSA-N	245.348	-0.394	50	10	BBGE	
NNC(=O)CCCCN1CCOCCOCC1	1997204044	XNBCSAFCCNWHAB-UHFFFAOYSA-N	245.323	-0.505	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H](F)C1	2003505777	HXOGPMLHZQBAOV-SSDOTTSWSA-N	241.270	-0.433	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[C@H]2C1=O	2004109610	UBSQCGJPPCNIOK-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
CCN([C@H](C)C(=O)NN)[C@@H]1CCCCNC1=O	2004300152	XQVIQVKOHJPGSN-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](N)COCC(=O)N1CCC(O)(C#N)CC1	2005873692	PCYMSBDHOLPEIK-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)[C@H](COC)C(=O)NN	2015788887	LNWHMQFRCQHCMQ-KXUCPTDWSA-N	245.323	-0.794	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCN(C)C1CC1	2019208264	FTTAYDFBOCXEIK-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
CCc1cc(C(=O)NCC=CB(O)O)n(C)n1	2020060569	WKTHWSBUAPLLME-UHFFFAOYSA-N	237.068	-0.720	50	10	BBGE	
C=C(Cn1ncc2c(c1=O)CCCC2)B(O)O	2021159185	OSEXWTDAAWEITP-UHFFFAOYSA-N	234.064	-0.310	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@]23CCCOC3)n1	2021314748	WOBIWPCOSYYLAX-KOLCDFICSA-N	236.080	-0.620	50	10	BBGE	
OB(O)c1csc(N2Cc3cncnc3C2)n1	2025631039	JAQPVOXYSFRQSD-UHFFFAOYSA-N	248.076	-0.867	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc2c(c1=O)CCC2	2028053479	VGPQXNYOKCLQNJ-CBAPKCEASA-N	248.286	-0.642	50	10	BBGE	
Cc1ncc(COc2cncc(B(O)O)c2)n1C	2052195283	AAFYVRGRVLZGID-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@H]1CCC2(CC2)N(c2ncncc2B(O)O)C1	2052466714	JYIGZFFQILSFNL-VIFPVBQESA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2CC[C@@H]2CC2CC2)ncc1B(O)O	2052555762	FAZUIXGVRQAIJI-SNVBAGLBSA-N	247.107	-0.156	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CC[C@H](C2)O3)c(B(O)O)c1	2052626753	XDSHQSMVDVIHOQ-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
CCOc1cc(C=O)c(F)c(B(O)O)c1	2060117018	LOZUJVQNSOFKHN-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CCO[C@H]3C2)nc1	2065202841	MEUOFBOCLVPYHK-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@@H]2COC[C@@H]21	2066310777	UXWHWIXGNXPCBC-YPMHNXCESA-N	247.103	-0.495	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC2CC1C2	2069296741	XEBFVQPLTCZLPT-AMUVOQDHSA-N	247.107	-0.219	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2c(c1)OCO2	2076075310	CHLAQNYXVWZSRX-UHFFFAOYSA-N	249.031	-0.287	50	10	BBGE	
OB(O)c1ccc(COCc2cnccn2)cc1	2080331341	BRONEFTVQYOQNG-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
Cc1ncnc(C(=O)N2CC[C@@H](B(O)O)C2)c1C	2208732274	RCARPQLFJKGYSD-SECBINFHSA-N	249.079	-0.218	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(F)CCOC1	2209977860	UWTFGCHAXCKZIY-MRVPVSSYSA-N	205.233	-0.963	50	10	BBGE	
CC[C@H](OC[C@]1(C)COCCO1)C(=O)NN	2211982304	HODSFFSRGSNFJZ-WPRPVWTQSA-N	232.280	-0.423	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@]1(F)CCOC1	2212151616	FXZRHTDRMYQKHA-PSASIEDQSA-N	233.287	-0.185	50	10	BBGE	
Cc1nc(Sc2ncccc2B(O)O)n[nH]1	2212600039	RPUUHBBKGQOPDT-UHFFFAOYSA-N	236.065	-0.661	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CO1	2212600850	GGWYBFNKXMWRIW-IONNQARKSA-N	222.053	-0.649	50	10	BBGE	
CSC[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2212602293	BLFWIUNSMLTBOE-QMMMGPOBSA-N	240.137	-0.406	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@H]3C[C@H]32)c1	2212604401	VTEUOMNXEHIHME-SZEHBUNVSA-N	218.065	-0.028	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2CC1(CO)C2	2215773982	VJWJMZQIRZQCIV-OWNCLDLKSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215777933	WARSIBIWWCEJMT-DKXJUACHSA-N	237.259	-0.993	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2ncccc2B(O)O)CC1	2217165047	FJOTUABBGDUULJ-DTORHVGOSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCOC2)c1F	2217186780	OYOKSWCYWGSIPA-ZETCQYMHSA-N	241.027	-0.684	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H](O)C(F)(F)F)c1	2217198337	ZUBMANZLFKDVBU-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2c1cc(B(O)O)ccn1	2223625243	DASLMYUFAPDCNQ-HBNTYKKESA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@@H](O)C[C@H]1C2	2223625978	GHMNHVXJJIKGBS-OPRDCNLKSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CNCC3(CC3)C2)nc1	2223628573	QTJARSVQLFSPDS-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2C[C@H]3C[C@@H]3CO2)nc1	2223643139	SBHVPBZWXMFZFR-KKZNHRDASA-N	248.091	-0.402	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(B(O)O)cn3)C[C@@H]12	2223648439	LBCGPLSRJHJGFE-AYHFEMFVSA-N	247.107	-0.701	50	10	BBGE	
C#CC#CC(C)(C)Nc1cc(B(O)O)c(C)cn1	2223654341	ZVXOCNKYZNYKIC-UHFFFAOYSA-N	242.087	-0.103	50	10	BBGE	
CC1CCC(CN=c2ncc(B(O)O)c[nH]2)CC1	2223666010	JUEHOQQBGSULKO-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
CN1CC[C@](C)(COCC(=O)NN)C1	2242594135	MRGFSKKKCZLIHJ-VIFPVBQESA-N	201.270	-0.665	50	10	BBGE	
CCOC[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243347217	JLVIFIDXEPKDOI-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)C1(B(O)O)CCC1	2243347281	KOARZFJBYWUJSI-SSDOTTSWSA-N	225.053	-0.079	50	10	BBGE	
O=C(NCC1(F)CC1)c1csc(B(O)O)c1	2243349099	FZRKTHBCFSAQJS-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)C#CB(O)O)O1	2243349150	GYDVKEJHSFQXOU-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1ccc(B(O)O)o1	2243349538	MZPIYMVKDKZMKQ-LURJTMIESA-N	241.077	-0.805	50	10	BBGE	
Nc1ccc(F)c(NC(=O)C#CB(O)O)c1	2243362404	QKYUHESCIYXMPC-UHFFFAOYSA-N	221.984	-0.638	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243365202	JFQOHYGJYILMHA-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)C1(B(O)O)CC1	2243366054	WUELYPOZIUAHGE-GJMOJQLCSA-N	227.069	-0.325	50	10	BBGE	
CC1(CO)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243383593	ZQSMLGWAWDUNBY-OCAPTIKFSA-N	227.069	-0.920	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)cs1	2243385186	DRZUOLKSNLRUQV-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C#CC[C@H](COC)NC(=O)[C@H]1C[C@H]1B(O)O	2243392859	XPXNMHQNETXWPZ-HRDYMLBCSA-N	225.053	-0.996	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@@H](C)C1	2243401245	OJULXPCXVVSJSC-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C[C@H](CCO)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243414431	ARHZBDSLKDQWNN-XHNCKOQMSA-N	229.085	-0.626	50	10	BBGE	
C#CC(=O)N[C@H](C)c1cccc(B(O)O)c1	2243666852	CMOXXMRFGCJWTF-MRVPVSSYSA-N	217.033	-0.823	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)co2)C1	2244204852	BIDZKSXALKVGDO-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
O=C(C#CB(O)O)NCCCOCC1CCC1	2247747648	QNFDWRGOSKRVNE-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
NC[C@@H]1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247750243	GPJRLCHBIGTSHL-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
CCN1CC[C@H](N(C)C(=O)C2(B(O)O)CC2)C1	2247753506	HUVKOJHVBGSOKW-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CO[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786504	BSZKZKUEKMFCMZ-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247788431	FTCIDGBCJJCXPU-MRVPVSSYSA-N	235.048	-0.591	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ncc(C)cc1B(O)O	2247791887	PJQQSHNLUDGSCV-QMMMGPOBSA-N	234.064	-0.626	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCN1C	2247798351	SOLBRRZMBLAUDR-IDKOKCKLSA-N	240.112	-0.598	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCNC1	2247799513	DUZPOPKREKGMKP-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]1C(F)(F)F	2247847223	UEWUMXDAWKORSD-NKWVEPMBSA-N	248.997	-0.151	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1C[C@@H]1C	2247867709	LCCACDSNZLCZGZ-POYBYMJQSA-N	237.064	-0.346	50	10	BBGE	
CCC[C@@H](CCO)CNC(=O)C1(B(O)O)CC1	2247874455	MOYPMPGSBSFNEM-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2C[C@@H]2F)oc1B(O)O	2247876976	ZZGFUSLCCQUYGM-RQJHMYQMSA-N	241.027	-0.644	50	10	BBGE	
CN=c1ccc(NC(=O)C2(B(O)O)CC2)c[nH]1	2247879298	SFAFTAKAWYQIIL-UHFFFAOYSA-N	235.052	-0.509	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(C)c(B(O)O)o1	2247891772	NOVKOPSPGONZQP-QMMMGPOBSA-N	233.032	-0.884	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCNCC2(CC2)C1	2247898843	ICLZRDHGNBQIFP-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
O=C(O)C1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2248576615	HSRWBYZUTAGELE-KNVOCYPGSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)C(=O)O	2248579041	XFTIOHXHZLHUMA-WCTZXXKLSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248587236	NKWDCBYQYHMVJD-QYNIQEEDSA-N	243.068	-0.535	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1cocc1B(O)O	2249408792	HRNBZOVHMMTCGE-IMTBSYHQSA-N	241.027	-0.611	50	10	BBGE	
CCn1nccc1C(=O)NCCC#CB(O)O	2250001435	WLCRBUAFLKOBCY-UHFFFAOYSA-N	235.052	-0.962	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2255485438	QZCDSPLHILKASP-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccc(C(=O)Nc2cnoc2)cc1B(O)O	2255511308	HROAWWGSODFMOL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC=C1CCN(C(=O)c2ncccc2B(O)O)C1	2255524308	WJNQVZJOPQVHAR-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
Cc1ccccc1NC(=O)c1c[nH]nc1B(O)O	2255547562	OGSJAPKQIYJLHM-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC#CCNC(=O)c1cc(C)cc(B(O)O)c1F	2255593159	UPQZOBDCFCPWIL-UHFFFAOYSA-N	249.050	-0.433	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC2CC(C2)C1	2255733565	NCZRLWVBIJBBFT-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
Cc1ccc(C(=O)N2C(=O)C[C@@H]2C)cc1B(O)O	2255736586	QFWWEXRWJKJEKK-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)Nc1ccc(B(O)O)cc1	2255893741	UPKPGZHROKHUPI-VIFPVBQESA-N	246.075	-0.148	50	10	BBGE	
Cc1nc(C)n(Cc2c(F)cccc2B(O)O)n1	2261002755	WQDBBZZQORYTOP-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@]12CCOC2	2298369009	FSBITOYIUZJFFB-NGZCFLSTSA-N	239.080	-0.369	50	10	BBGE	
CCC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369928	JBSXKQLYXBZMLU-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463616	OSTFZBNIYPUDNW-RULNZFCNSA-N	241.052	-0.829	50	10	BBGE	
CC(C)(N)COc1ccc(B(O)O)cc1C#N	2301366377	DOCTYDWASNHNGL-UHFFFAOYSA-N	234.064	-0.646	50	10	BBGE	
C#CCNC(=O)[C@H](C)N1CC[C@@](C)(B(O)O)C1	2303101975	PHBJEOFMEUJNPA-GXSJLCMTSA-N	238.096	-0.937	50	10	BBGE	
C[C@@H](Cn1cc2c(cc1=O)CCC2)C(=O)NN	2303216774	COURDKGWNTXZRM-QMMMGPOBSA-N	235.287	-0.037	50	10	BBGE	
CC[C@@](C)(CN(C)C[C@H](O)COC)C(=O)NN	2303420440	WOWMWHXQDXYLFX-ONGXEEELSA-N	247.339	-0.668	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@H]2[C@@H]1CO)C(=O)NN	2303424907	WWTBMIGDOIGTAV-QFOLPQNPSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303834997	PCTDKBCGAAAVFB-JHEQGTHGSA-N	240.043	-0.918	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(B(O)O)cc2C#N)CO1	2317206849	QFSHYPXRJQGPQE-KCJUWKMLSA-N	247.059	-0.206	50	10	BBGE	
COCCCN(C)[C@H](C)CC(=O)NN	82469238	RZQLTKBLVASCIJ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CC1(C)COCCN1CCC(=O)NN	82470273	RWBLCYRZMXJFMV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@@H](C)C(=O)NN	82470374	KERDUMWFSZXHAX-MRVPVSSYSA-N	230.312	-0.931	50	10	BBGE	
NNC(=O)CN1CCO[C@H]2CCCC[C@@H]21	82470620	UIUQWDVYDWVASF-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nncn1C	82471951	QPWVTMQXMGYHKU-RXMQYKEDSA-N	215.282	-0.324	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCCNC(=O)C1	83747967	MHEAORVIUDWIKE-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CCCN(CCO)[C@@H](C)[C@@H](C)C(=O)NN	86313566	PBRROCIBMJBSCH-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
CCCN(CC(=O)N(C)C)C[C@@H](C)C(=O)NN	110597697	LNGSXECSOQYTMX-SECBINFHSA-N	244.339	-0.587	50	10	BBGE	
O=C1CC[C@H](n2cnnc2CCl)C(=O)N1	149972939	DYOVVKIIFQUVDD-YFKPBYRVSA-N	228.639	-0.005	50	10	BBGE	
CCN(CC)CCNC(=O)C(=O)NCCCl	170359641	JFRRDPVIAAJUDI-UHFFFAOYSA-N	249.742	-0.201	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(=O)N(C)C	211882516	BVIJYKXNSXIXIA-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCN(C)C1=O	218357527	MSHXFPTWQNNFMR-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
COC[C@H](CBr)NS(C)(=O)=O	229016096	UNPKLFRHUSDZDZ-YFKPBYRVSA-N	246.126	-0.055	50	10	BBGE	
COC(=O)N/C=C(C)\C=N\NC(N)=O	238407441	MPFSDXDGFDYBFP-FJQHFOHYSA-N	200.198	-0.100	50	10	BBGE	
C[C@@H](NC(=O)c1cccnc1)C(=O)NN	238437813	SFJGTYGZHCQPEB-ZCFIWIBFSA-N	208.221	-0.810	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC(F)F	238571388	UGFGFZIACYEYQP-UHFFFAOYSA-N	202.953	-0.329	50	10	BBGE	
O=C(NCCCl)NCCN1CCNCC1	243355309	LXELYFLNQOSOMT-UHFFFAOYSA-N	234.731	-0.570	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COC[C@H]2Cl)nn1	307622319	HBECOKJNEBHKIU-VDTYLAMSSA-N	230.655	-0.449	50	10	BBGE	
CC(C)(O)c1cc(F)c(B(O)O)c(F)c1	308957562	JDEZHAPPWSYMJM-UHFFFAOYSA-N	215.992	-0.128	50	10	BBGE	
CC(=O)N1CCCc2cc(B(O)O)ccc21	309357592	CQRCJMKUXRHBPG-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCCl)o2)C[C@@H]1O	316517802	OCIBDWMIIWDVCG-BQBZGAKWSA-N	247.682	-0.360	50	10	BBGE	
N#Cc1cnn(Cc2nc(C(=O)NN)cs2)c1	378661007	HCCXITGCKKKULK-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
O=C(O)c1cc(B(O)O)cnc1C(F)(F)F	380472878	IXSDPJRYRZEJCR-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
CNCCSCc1nc(C(=O)NN)co1	382664180	WOBDLRXZNZDWQF-UHFFFAOYSA-N	230.293	-0.269	50	10	BBGE	
NC(=O)NN=C/C(=C1\NCCCS1)[N+](=O)[O-]	393816213	BNOALPPBYGGEDD-DNXVOADVSA-N	245.264	-0.187	50	10	BBGE	
N#Cc1cc2c(CO)cc(B(O)O)cc2s1	396230034	XICHCIDUJCPHPX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc2c(B(O)O)csc2cc1C=O	396274096	MBDIVAGKSAKUIB-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)C1CC1	405042046	YGGCXDMXFJIEQC-UHFFFAOYSA-N	225.078	-0.546	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccc(B(O)O)cc1	585000821	OARRFJJHHPWHPL-UWVGGRQHSA-N	245.087	-0.105	50	10	BBGE	
N#CC1(O)CCN([C@@H]2CCCNC2=O)CC1	687807270	QPNINUSQLUSKFO-SECBINFHSA-N	223.276	-0.385	50	10	BBGE	
CN1C[C@H](CNC(=O)CCl)CC1=O	687824582	XADFUAGMSCOVFP-LURJTMIESA-N	204.657	-0.180	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)[C@@H](C)C(=O)NN	688173279	UACAZOJFMRZGSG-LPEHRKFASA-N	229.324	-0.032	50	10	BBGE	
C[C@@H](CN(C[C@@H](C)O)C1CC1)C(=O)NN	692096870	PYIVSBZFVFSVSD-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CC(C)n1ccc(Cn2ccc(B(O)O)n2)n1	694310619	VIWLETPINNKYKQ-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
C[C@H]1CCCC[C@H]1S(=O)(=O)NCB(O)O	701951114	PQQGYVQIPUNVNI-JGVFFNPUSA-N	235.114	-0.504	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C(COC)COC	702035287	CENGOWRZPVMSOO-SECBINFHSA-N	233.312	-0.652	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CCOC1	703410838	FCNQQCDMTXHCNV-BWZBUEFSSA-N	211.217	-0.308	50	10	BBGE	
CC(C)[C@@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703424574	MMBCTECJNDQKMB-FXQIFTODSA-N	240.259	-0.587	50	10	BBGE	
CN1CCN(CC(=O)NN)CCC1(C)C	712655873	DRDAUTPGQIHANN-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
CCN(C1CCOCC1)[C@H](C)C(=O)NN	716482473	NWOAPNMCTRZYAB-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)CBr	716787868	ZJZHZDPSRRRING-ZCFIWIBFSA-N	239.113	-0.580	50	10	BBGE	
Cc1cc(OCC[C@@H]2CO2)ccc1B(O)O	718545326	WCMXGYVFZFOXPM-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
O=C(CCCl)NC(=O)N[C@@H]1CCNC1=O	822121680	CTRDAHQOOSFVGP-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
CCC(=O)N1CSC[C@H]1C(=O)NN	843450564	PUBSPRKFWIWPLS-YFKPBYRVSA-N	203.267	-0.712	50	10	BBGE	
CC(=O)NNC(=O)COCC(=O)OC(C)(C)C	843749682	AFOOFIKUDSOAIJ-UHFFFAOYSA-N	246.263	-0.488	50	10	BBGE	
Cn1cc(C(=O)NNC2=N[C@H]3C=C[C@H]2C3)nn1	853386029	RQYCJTWNHVIEAL-BQBZGAKWSA-N	232.247	-0.594	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CCCN(C)C1=O	900427265	HMGWQICGANNDLK-SSDOTTSWSA-N	242.279	-0.843	50	10	BBGE	
OB(O)c1cscc1CN1CCC12COC2	1231949849	SYQUNUUWUWDRDZ-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
O=C(NCCF)c1cc(B(O)O)ccc1F	1297208570	OJTOSYXVTJKEKS-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)C1=CCCCO1	1451685493	UPMMANBSDCHZIS-UHFFFAOYSA-N	248.242	-0.068	50	10	BBGE	
COc1ncc(C(=O)NNc2ccn(C)n2)cn1	1611267094	CDDCZPZPDQNFBC-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
Cc1c(C(=O)NNc2ccncn2)nnn1C	1627966989	IWDWGRXVCQSOBC-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
C#CCN[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1880702667	JKFVFGJKEOZUFM-NKWVEPMBSA-N	207.682	-0.386	50	10	BBGE	
CN(Cc1ncn(C)n1)C[C@H](O)CCl	1885121651	RPFHTNQRADPIEC-SSDOTTSWSA-N	218.688	-0.153	50	10	BBGE	
CO[C@@H](C)CCN(C)[C@H](C)C(=O)NN	1885397468	LYWXOOQAUYDNPA-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
COCONS(=O)(=O)CBr	1888115237	SGGOCDJPWRIMNO-UHFFFAOYSA-N	234.071	-0.206	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@@H]1CO	1893452940	JJUCPPCIRSQCNP-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
O=C(NC1(CO)COC1)C1CC(Cl)C1	1893474558	KJBGDPUHXNYGTC-UHFFFAOYSA-N	219.668	-0.119	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H]2CC1=O	1893851880	IHBZPGYZXRZAPR-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
C[C@H](O[C@H]1CCCN(C)C1)C(=O)NN	1895025822	OKWPASIONLTCOK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1cccn(C)c1=O	1900891034	WJXHIIKXEBMSCC-ZETCQYMHSA-N	225.248	-0.467	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@](C)(N)C1CC1	1901374369	DCFLOFZLQZYTFE-VIFPVBQESA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)C1CNC1	1901376294	YMZWJVUBFKZWBL-SSDOTTSWSA-N	249.336	-0.845	50	10	BBGE	
CCc1nonc1CN1CC[C@H](B(O)O)C1	1902552365	YBFGVGTUCUEMIY-ZETCQYMHSA-N	225.057	-0.319	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3CC[C@H]2C3)n1	1902638354	ZQQKHFUCJUQRBU-YUMQZZPRSA-N	238.121	-0.193	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCOCCO2)C1	1910346421	QSQNWOOFSJNWKK-VHSXEESVSA-N	243.307	-0.344	50	10	BBGE	
C[C@@H](O)C1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	1913497716	MLNPGINABFFVGI-CSMHCCOUSA-N	225.244	-0.184	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)N1CC(O)C1	1914175891	JAAOCNFSNRPGCA-YFKPBYRVSA-N	228.701	-0.875	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)c1nc(=O)o[nH]1	1923415456	PCMCYGAKUXQQBI-UHFFFAOYSA-N	244.207	-0.468	50	10	BBGE	
CS(=O)(=O)CCN[C@@H]1COC[C@@H]1CCl	1928744997	WTUCPZYDYPMSKU-JGVFFNPUSA-N	241.740	-0.126	50	10	BBGE	
CN(C)NC(=O)[C@]1(C)C[C@H](N)CCO1	1929653153	HGFRRPJRFBPRLE-APPZFPTMSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C(=O)O1	1931266440	GAJWFMYRRZMWPA-LURJTMIESA-N	213.237	-0.403	50	10	BBGE	
NNC(=O)[C@H](N)COCc1ccccc1	1931704377	OXHXTGYTIRIFLB-SECBINFHSA-N	209.249	-0.480	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCOC1(C)C	1933165817	GXXVJFJDDAPTLU-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CN(C)CCN(CCO)S(=O)(=O)CCl	1934408994	PGPJRIMVGUGMBL-UHFFFAOYSA-N	244.744	-0.632	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	1936092850	XWJCEIDJPIOBFH-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
CC[C@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1938249135	QHWSSPLLVLAGOD-NSHDSACASA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1C[C@@H]2COC[C@@H]2C1	1939477617	JBPMLUPLLNJQEO-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](N2CCC2)C1	1941082954	KVSDJIGMSOQYOT-GARJFASQSA-N	238.335	-0.608	50	10	BBGE	
Cc1nc(C#N)n(C[C@H]2C[C@H]2C(=O)NN)c1C	1941090616	PQESMHFDUOHJIS-RKDXNWHRSA-N	233.275	-0.002	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)[C@H](C)N=C=O	1951454855	PTJVOBRGOJOGME-POYBYMJQSA-N	234.277	-0.740	50	10	BBGE	
N[C@@H]1CCN(CC(=O)CBr)C1	1953308704	BCCHFPOMYGHHEA-ZCFIWIBFSA-N	221.098	-0.017	50	10	BBGE	
C[S@](=O)C1CN(C[C@@H](Cl)C(=O)O)C1	1954057080	NAEDIJILEOATMV-UANNBLPKSA-N	225.697	-0.259	50	10	BBGE	
CCOCC1CN([C@H](C)C(=O)NN)C1	1956386351	VVALCOBYPMIZRN-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
O=C1[C@H]2CCO[C@H]2CN1S(=O)(=O)CCl	1956915773	VGVCTMHQPIGFEV-WDSKDSINSA-N	239.680	-0.240	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21)C(=O)NN	1958420551	YIGUMNAETGEDPE-KBDSZGMXSA-N	209.293	-0.047	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961366895	OXQCZWLAUYHQHD-ACZMJKKPSA-N	220.219	-0.109	50	10	BBGE	
CC[C@@H](C)Cn1cc(B(O)O)ccc1=O	1975100218	AXWZXVHEAUMBGQ-MRVPVSSYSA-N	209.054	-0.426	50	10	BBGE	
CCCOC1CN(CC2(C(=O)NN)CC2)C1	1976058312	MEBGGLQAHYDNIF-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CN(Cc1ncno1)C[C@H]1C[C@H]1C(=O)NN	1976745333	LEPRLQYZQXNNCA-RNFRBKRXSA-N	225.252	-0.873	50	10	BBGE	
C[C@@H]1COC[C@@H](C(=O)O)N1C(=O)NN(C)C	1980196514	ZYYOYSLPYIVGFS-RQJHMYQMSA-N	231.252	-0.654	50	10	BBGE	
C[C@@H](CN)SCc1nn(C)cc1C(=O)NN	1980592024	FZEXFSVGIQFCTF-LURJTMIESA-N	243.336	-0.396	50	10	BBGE	
CC[C@@H]1CN2CCC[C@H]2CN1CC(=O)NN	1981077913	VSHIBCJDLKGEAC-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CC[C@@H](C)CN(C)c1ncncc1B(O)O	1981416538	QEOLGTWXRCFNBH-MRVPVSSYSA-N	223.085	-0.361	50	10	BBGE	
CO[C@@H](C)COC[C@H]1CC[C@H](C(=O)NN)O1	1986049306	QOSCUXYTLULAMK-DJLDLDEBSA-N	232.280	-0.425	50	10	BBGE	
O=C(NNCCO)c1cc(C(F)(F)F)on1	1989781108	FBSALZQHAAZXAF-UHFFFAOYSA-N	239.153	-0.080	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990042052	ZTHUGICCZFMSJJ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CN(C)NC(=O)NC[C@]1(C(=O)O)CC1(F)F	1991149659	UVHJGXGOXQTSBL-ZETCQYMHSA-N	237.206	-0.128	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)NCC=CB(O)O	1991333655	CQJREHHAJYRMCD-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@H]2CNC[C@@H]21	1991703777	KOSLBFXGZPVCQI-HIQWKFPQSA-N	244.678	-0.493	50	10	BBGE	
C=C(CN(CCS(C)(=O)=O)C1CC1)B(O)O	1992145305	KCKVBSDMBAZUJR-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
CC(C)(CCN1[C@@H]2COC[C@H]1C2)C(=O)NN	1992321295	ZARBFNLUFJQEIT-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
N#CC1(O)CCN(C[C@@]23CNC[C@H]2C3)CC1	1993205021	VXUDZZPXAJEMHL-GHMZBOCLSA-N	221.304	-0.054	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(C)C1	1995641659	WUBQDUPOKUGCBT-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CCCC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CC1	1998126603	VFLDAJPGYUASEM-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H](CCO)C1	2005060727	MUXOQPUKMCIEBO-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@@H]2CO)c1	2007496065	PBBUCPFKRLODHA-SECBINFHSA-N	237.259	-0.384	50	10	BBGE	
CC[C@@H](OC1CC(n2cncn2)C1)C(=O)NN	2012098695	AXXRQLUIAXFPSV-AMDVSUOASA-N	239.279	-0.233	50	10	BBGE	
CCOC12CC(C1)N(CC(=O)NNC(C)=O)C2	2019176986	LZMAHSIDTKNZSB-UHFFFAOYSA-N	241.291	-0.593	50	10	BBGE	
CCO[C@H]1CCCN(CC(=O)NNC(C)=O)C1	2019209941	LOZWGIPJJGJIGA-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
COc1cc(OC)n(CC(=O)NNC(C)=O)n1	2019214176	YDMUUZSNFNIQTQ-UHFFFAOYSA-N	242.235	-0.932	50	10	BBGE	
C=C(CN1CCOc2cccnc2C1)B(O)O	2021157969	URXZCNSQZAUSEU-UHFFFAOYSA-N	234.064	-0.156	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	2022066999	AAICYWQEXGVWOQ-DLOVCJGASA-N	241.335	-0.008	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1occc1C(=O)NN	2023144795	URCIFZIHKBANIE-VIFPVBQESA-N	239.275	-0.162	50	10	BBGE	
Cc1cc(OCc2nccn2C)cc(B(O)O)c1	2049637719	CEKAPOHNDKPPPK-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@@]12CCCC[C@H]1CN2c1ncc(B(O)O)cn1	2052467180	NPULMBASMRFZLH-JOYOIKCWSA-N	247.107	-0.075	50	10	BBGE	
COc1ccc(C)c(B(O)O)c1[N+](=O)[O-]	2060380167	XQSFXRIJPMDNBL-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CCO[C@H]2C1	2065202126	IRUFBRXGKUNBOF-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
O=C(NCc1cnc[nH]1)c1ccccc1B(O)O	2079007952	CGVJGGBMDUTLDQ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
COCOc1cc(B(O)O)c(C)cc1C	2081216806	WMKPUZOUJARRPA-UHFFFAOYSA-N	210.038	-0.034	50	10	BBGE	
CCN1CC[C@H](O[C@@H](C)C(=O)NN)C1	2209994872	FMEWMXGAPYEQNW-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)O3)CCC1	2212262778	PTQWTFPFXDUHLA-DTORHVGOSA-N	225.292	-0.380	50	10	BBGE	
CC[C@@H](CN)COc1ccc(B(O)O)cn1	2212600949	GMTHILFIETUCTO-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1ncccc1B(O)O	2212604949	VFBVOXZRAFRCTE-HTQZYQBOSA-N	224.069	-0.403	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	2215197811	GKNCDKLSHPEJQC-GJMOJQLCSA-N	249.261	-0.137	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@H]1CCC[C@@H]1O	2216490392	DCPPICQVVDSEJA-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1CC[C@H]1CNc1cc(B(O)O)ccn1	2217201853	ZYXULGIRNIYLGL-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H](O)C(F)(F)F	2217204704	NOTAXGNZFJBHPS-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC[C@H]2C[C@@H]2C)n1	2220938443	ZQVGPJVXDXTXDV-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
CCN1CCN(c2cc(B(O)O)c(C)cn2)CC1	2223641977	XQYLCZLQNSYDQH-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@H]3C[C@H]32)cc1B(O)O	2223647007	RXVKYZWNEAUPES-GDPRMGEGSA-N	247.107	-0.768	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(B(O)O)cn3)C[C@H]12	2223648440	LBCGPLSRJHJGFE-CDEVMZEPSA-N	247.107	-0.701	50	10	BBGE	
C[C@@]12CC[C@@](Nc3ccc(B(O)O)cn3)(CO1)C2	2223654159	XRVFTMKOVPNBJY-RYUDHWBXSA-N	248.091	-0.115	50	10	BBGE	
COC1CC2(C1)C[C@@H]2Nc1ncccc1B(O)O	2223677480	OKUJUALZGNZCEJ-BSTRBVHOSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3COCC[C@@H]32)c1	2223678836	IMENDOLDBWZWBW-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@@]12CCC[C@H]1C2	2224033357	ZHMORZRMAVJHHY-JOYOIKCWSA-N	248.091	-0.497	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(O)(CCO)C1	2241809189	UKBRXFXAKXAAFP-ZCFIWIBFSA-N	207.657	-0.431	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2243380931	APXSSMMHONIGTH-OORONAJNSA-N	225.053	-0.761	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243381189	DFLSZXMUYCOWTM-CIUDSAMLSA-N	226.085	-0.811	50	10	BBGE	
C#CC1(F)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382939	SMMXLJMODXZCPF-OCAPTIKFSA-N	225.028	-0.577	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243396899	SIMUEMCUVOTCNQ-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2243399591	NYGXGGXHTBPTBC-UHFFFAOYSA-N	222.053	-0.657	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCC1	2243404287	LYLCYPNTOHRVHQ-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC=CCC1	2243404398	NNUGGIGDRGQFMJ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1sccc1B(O)O	2243406529	ALJOKVGUOVDWJM-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
C=C(F)CN(C)C(=O)c1sccc1B(O)O	2243406864	GZCLMJDCIZVJAN-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
C[C@]1(O)CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243408938	XZLZNJRXPYTQCA-APPZFPTMSA-N	227.069	-0.587	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@H]1CCC)B(O)O	2243412229	ISVUBQPBZWOUKS-BDAKNGLRSA-N	247.125	-0.337	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)[C@H]1C[C@@H]1B(O)O	2243426802	MCRLHBLNDSVAFE-XHNCKOQMSA-N	227.069	-0.874	50	10	BBGE	
O=C(NCC(F)(F)F)c1cocc1B(O)O	2244216902	MFXKWAZNNHVQOG-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C=CCCC1	2244547873	GYCKIXIBCBITNB-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC(F)(F)C(=O)NN	2245132863	YZXCEFWIFLDCBU-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCCN(C)C	2246744946	UMADADWBPJFHOE-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@H]2C)n1	2247226128	HFICFRMYJCAQEM-MRVPVSSYSA-N	236.080	-0.241	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC2(F)F)n1	2247232701	IGDZNDQTTHXURQ-ZCFIWIBFSA-N	244.990	-0.444	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]1C(F)F	2247734400	GYNWFMFISKILBY-ZCFIWIBFSA-N	244.990	-0.561	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CCN2	2247736996	AYVQEORHLYKAOJ-UHFFFAOYSA-N	230.032	-0.392	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1F)C1(B(O)O)CCC1	2247738354	QNULIRXKBYREAD-HTQZYQBOSA-N	245.059	-0.373	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@]12CCCO2	2247742465	PBVKHEQAQDCRGV-GXSJLCMTSA-N	237.064	-0.828	50	10	BBGE	
CCCN(CCC)C(=O)c1cc(B(O)O)c[nH]1	2247747368	MSJWXDOMWRQPFN-UHFFFAOYSA-N	238.096	-0.043	50	10	BBGE	
O=C(NCCN1C[C@H]2C[C@@H]2C1)C1(B(O)O)CC1	2247750524	KSNFOELMZNUMLL-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
O=C(NCCC1(O)CCCC1)C1(B(O)O)CC1	2247758356	ZBFFTTFGQVALID-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787237	MJKDLIUBKIYOKU-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247789940	CZBJCNMSPRJWGV-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)COCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247796866	DMRFONDOGKTDMN-RKDXNWHRSA-N	241.096	-0.266	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805154	JRQOVVVOIZOKDF-FNCVBFRFSA-N	240.112	-0.519	50	10	BBGE	
O=C(NCc1cccnn1)C1CC(B(O)O)C1	2247808262	UFZBRDANZHYEAD-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247860288	UYOFAGLATLOSGR-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
COC[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247873595	DXRXMBRKLFWBAL-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2248579970	YHKLUKWCFFHTCR-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
O=C(Nc1cccnc1)c1cocc1B(O)O	2249416391	QZDJWNDKFDWAFH-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1C[C@@H]2C[C@H]2C1	2255454242	NJJQYKHTGDSPSS-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(NC(=O)c2coc(B(O)O)c2)cn1	2255455557	AYYNXQAHCFCSFI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@H]1CCCC12CC2)c1cc(B(O)O)c[nH]1	2255464934	CUOZLHZGHJVBIO-JTQLQIEISA-N	248.091	-0.243	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(OC)c(B(O)O)c1	2255501668	RXRRHFNITLPHRR-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc(B(O)O)n[nH]1	2255552911	RBCLGTWIVBLGOV-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
C#CCN(CC)C(=O)c1ncc(C)cc1B(O)O	2255555789	GORKOVKKAFAERW-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C(NCC1(n2cccn2)CC1)[C@@H]1C[C@H]1B(O)O	2255562316	UAIHSVAGVJDKIV-RKDXNWHRSA-N	249.079	-0.649	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@H]3C[C@H]3C2)c1B(O)O	2255576655	JLIFGBIJUOHBQN-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
CC1CC(CNC(=O)c2ncccc2B(O)O)C1	2255713407	AKXOSCLSUIURSR-UHFFFAOYSA-N	248.091	-0.463	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(F)cc1B(O)O	2255743488	GTFKOMZTNWMHET-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
Cc1cnc(C(=O)N[C@H](C)CC#N)c(B(O)O)c1	2255790006	QOHFFUYURBWUTK-MRVPVSSYSA-N	247.063	-0.898	50	10	BBGE	
Cc1cccc(NC(=O)c2cc(B(O)O)co2)n1	2258128328	OPTAIMQONXHIFU-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)n1nccc1C(=O)NCCC#CB(O)O	2258959175	NJRYRMJTOZUWOK-UHFFFAOYSA-N	249.079	-0.401	50	10	BBGE	
CN(Cc1ccnnc1)c1ncccc1B(O)O	2261252420	RRPJOJMWPKJLPQ-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CC[C@H]2O3)c1	2298225629	MCBJJXSHIAFXLK-LPEHRKFASA-N	234.064	-0.507	50	10	BBGE	
O=C(NC[C@H]1[C@H]2COCC[C@@H]21)[C@H]1C[C@H]1B(O)O	2298368536	KNWUYUISHVVZPF-MQIGXGKASA-N	239.080	-0.752	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](F)C(=O)O	2298463606	OGMPUYDNEQPJAT-BNHYGAARSA-N	247.031	-0.976	50	10	BBGE	
N#Cc1ncn(CCC[C@@H]2C[C@H]2C(=O)NN)n1	2300382660	IPBAUJDZUSEJPR-HTQZYQBOSA-N	234.263	-0.444	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@H](C)[C@H](C)C(=O)NN	2301395783	SLQCYSWOYGTOCF-DTWKUNHWSA-N	244.339	-0.589	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC=CCO1	2301817492	HHUGSPIIOIOVGC-WCABBAIRSA-N	239.080	-0.299	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302191807	ZAVXMIMBEYNSHY-GENCIFFESA-N	239.080	-0.515	50	10	BBGE	
OB(O)c1ccnc(OCC2[C@@H]3COC[C@@H]23)c1	2302545216	MMSCAMDLLZSZFQ-RKDXNWHRSA-N	235.048	-0.967	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@]23COC[C@@H]2C3)C1	2303113177	YRZKUYFSBKAQRH-INTQDDNPSA-N	239.080	-0.512	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2CC[C@H](O)C2)C1	2303152672	ZGFXBCCGMWLCQP-WPRPVWTQSA-N	242.084	-0.888	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](C)[C@H](CO)C1)C(=O)NN	2303413288	IBNYFTHKKOXQBU-JFGNBEQYSA-N	243.351	-0.047	50	10	BBGE	
CC[C@H](COC)Oc1cc(B(O)O)c(F)cn1	2303853020	QSXHKZGGZPIXQJ-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2303967798	RPYWTQKYALHNSF-QEYWKRMJSA-N	239.080	-0.443	50	10	BBGE	
OB(O)c1cncc(OCCOCC(F)F)c1	2307837023	DNMCSROOXZCUCG-UHFFFAOYSA-N	247.006	-0.578	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)C(=O)c2ccccc21	2308072830	SQFZAPSYTNIAGX-ZETCQYMHSA-N	247.254	-0.016	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CC[C@H]1C2	2312847953	ACHLOHQQLOHHEU-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
O=Cc1ccc(NC2[C@H]3COC[C@H]23)cc1B(O)O	2317348867	TXTGOAVVGFGXTQ-UWVGGRQHSA-N	247.059	-0.764	50	10	BBGE	
COC(=O)CNC(=O)NC(=O)CCCl	34963345	DLZOSJBASMYLKC-UHFFFAOYSA-N	222.628	-0.386	50	10	BBGE	
CCN(CC)CCNC[C@@H](C)C(=O)NN	58837699	GNVHSDDBRYWTHF-SECBINFHSA-N	216.329	-0.456	50	10	BBGE	
C[C@H](CN1CCN(C2CC2)CC1)C(=O)NN	82471202	CUAKRGVQLLGEBJ-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1CCNCC1	86313662	YGTDQYQAFSRHQP-IUCAKERBSA-N	228.340	-0.315	50	10	BBGE	
CNC(=O)[C@H]1CCCN1[C@@H](C(=O)NN)C(C)C	110596005	AIZVFTPXUKVWJW-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
N#CCCN(CC(=O)NN)Cc1cccnc1	111611166	AHKKJATUAIYBCW-UHFFFAOYSA-N	233.275	-0.213	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@H]1CO	111762215	FUCNGYIDBPRVKZ-QMMMGPOBSA-N	239.275	-0.160	50	10	BBGE	
NNC(=O)CNc1ccccc1[N+](=O)[O-]	121220001	YAEVPHQUQSHOHX-UHFFFAOYSA-N	210.193	-0.003	50	10	BBGE	
CCC[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	121930909	NQVVIGSIEMMEKO-LDYMZIIASA-N	244.291	-0.136	50	10	BBGE	
CC(C)NC(=O)[C@H](C)NC(=O)NC(=O)CCl	162614200	PQSINLIBGNHINJ-LURJTMIESA-N	249.698	-0.036	50	10	BBGE	
CC(=O)N[C@H](Cc1ccccc1)B(O)O	169973897	RZOBKIYINHXHKR-SNVBAGLBSA-N	207.038	-0.254	50	10	BBGE	
Cn1nc(-c2cccs2)cc1B(O)O	200720804	VOAYMWSSZISWHB-UHFFFAOYSA-N	208.051	-0.172	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2	223601066	CGKKIEULNHFYIG-PRJMDXOYSA-N	211.265	-0.471	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCN(C)CC1	232419001	LEOMELFFXVWCJZ-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)[C@@H](O)C1	236571836	NAALNUFAQRQMPE-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
NNC(=O)[C@H](Cc1ccccc1)NC=O	238555895	GUCKTYZPKHQCGV-VIFPVBQESA-N	207.233	-0.666	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@H]1C	299993182	BDIROYYVDWNSSV-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CC(=O)NCCN(C)S(=O)(=O)CCCl	308163086	XVJMPNJMJAJMEJ-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
C[C@@H](O)CN(CCO)C(=O)CCCl	308241380	YNMATOPTNNMTFX-SSDOTTSWSA-N	209.673	-0.183	50	10	BBGE	
OB(O)c1ccc(-c2ncc(O)cn2)cc1	309351019	OVPJHAGSWBIDMQ-UHFFFAOYSA-N	216.005	-0.471	50	10	BBGE	
C=CCOc1cc(B(O)O)ccc1C(=O)O	309501188	HPBGPYLTPSZDQV-UHFFFAOYSA-N	222.005	-0.371	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@]1(C)CN	310368720	MZVJAFOMMFYMEH-CABZTGNLSA-N	242.367	-0.081	50	10	BBGE	
CCOC[C@H]1CCCCN1C(=O)C(=O)NN	313464128	QKFQLKZCXJGLRG-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@@H]1C	385613045	FOPZRBZUJVWUAC-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CNC[C@H]1C(=O)NNC(=O)C1CC1	390746695	AMUXMTKKZUUIJV-POYBYMJQSA-N	211.265	-0.601	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2sc(O)cc2c1	396388610	UNLOWIBKTCYOIR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ccnc(B(O)O)c1	404903943	BCUKNXLWUHOKRE-SSDOTTSWSA-N	222.053	-0.254	50	10	BBGE	
C[C@@H]1OC[C@@H](N2CC(=O)OC(=O)C2)[C@@H]1C	405572211	WXIXWBRKAINDAB-GJMOJQLCSA-N	213.233	-0.205	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687257907	CXULWMOZEQMGRE-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
NC(=O)NN[C@@H]1CCCC[C@@H]1[N+](=O)[O-]	687758632	DGOPYWXXMDRDEM-RITPCOANSA-N	202.214	-0.253	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)OCCl	692831355	CUTCJEHIVKGOMW-BYPYZUCNSA-N	211.601	-0.557	50	10	BBGE	
CC(C)C[C@H](Sc1nc(N)n[nH]1)C(=O)NN	695124461	KGKIYYWIRWYPHY-YFKPBYRVSA-N	244.324	-0.116	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCNC2)CC1	695389289	OUVWSJKOMCAGHM-SECBINFHSA-N	223.276	-0.527	50	10	BBGE	
NNC(=O)CN1CC(N2CCCCCC2)C1	697756453	PRHRYLQKULWFGR-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CCNC1=O	698928458	KVKHENRXXLBIGF-WDSKDSINSA-N	204.657	-0.134	50	10	BBGE	
COC[C@@H](CCO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703446548	WWNGKNOXIVQZOR-VGMNWLOBSA-N	243.259	-0.700	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CN(C)C[C@@H]2C1	706202460	KCSFSJXSGLYTCD-XWLWVQCSSA-N	240.351	-0.506	50	10	BBGE	
COCC1(N(C)C[C@@H](C)C(=O)NN)CC1	707148574	WZJKMNKYKWJXMK-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708093515	KKHDRBXHLMSDPD-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CN(C)NC(=O)[C@]12CCOC[C@@H]1CNC2	715421302	KNXDRMFSGNLUIE-WPRPVWTQSA-N	213.281	-0.795	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([C@@H](C)O)C1	719809355	BBSIMBCORYNSDO-PSASIEDQSA-N	229.324	-0.296	50	10	BBGE	
CCOC(=O)Cc1sc(C)cc1B(O)O	723121728	AYKMFQJTFVLYDO-UHFFFAOYSA-N	228.078	-0.158	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)Cc1ccccn1	729396920	FACMFLURIOHOGH-QMMMGPOBSA-N	237.259	-0.194	50	10	BBGE	
CC(C)NCC(=O)N1CCC(O)(C#N)CC1	821981726	YLBZMPJNXBSWNB-UHFFFAOYSA-N	225.292	-0.139	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1CN(CC)C1	822037671	TUWWCZQYJRJWGU-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
C#C[C@H](CC)NC(=O)NNC(=O)[C@H]1CCCO1	854077759	AZGFNABYDAOYNY-RKDXNWHRSA-N	239.275	-0.092	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1	857109163	KHLGZUJXIVAZCS-BRPSZJMVSA-N	225.292	-0.259	50	10	BBGE	
NNC(=O)c1cc(F)cnc1N1CCOCC1	953077461	PBFPDPHWLGIVFK-UHFFFAOYSA-N	240.238	-0.339	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CCc1nc[nH]n1	1116215909	GWISLLFGYXWGMU-UHFFFAOYSA-N	240.267	-0.524	50	10	BBGE	
Nc1ccnn1CC(=O)NNc1ccncn1	1141135801	XQGCCIWQAZBVPC-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)c1ccccn1	1440524347	DCNNTTKJAGKPGY-UHFFFAOYSA-N	237.215	-0.594	50	10	BBGE	
C=C[C@](C)(O)C(=O)NN=c1cc[nH]cc1	1466784347	FEEKBLVBTVRSMB-JTQLQIEISA-N	207.233	-0.116	50	10	BBGE	
Cn1nc(C(=O)NNc2ncccn2)cc1C=O	1540672305	MLMLPKSJAMCITI-UHFFFAOYSA-N	246.230	-0.221	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1570738389	GOZJJZCLOIDJDW-YIZRAAEISA-N	243.307	-0.768	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc2c1CC(=O)N2	1583197420	GVFSXQQKXIHZGH-UHFFFAOYSA-N	249.230	-0.850	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCN1CC[C@@H](F)C1	1642192347	DSJJZWHGTDHGNJ-NXEZZACHSA-N	247.314	-0.236	50	10	BBGE	
C#C[C@H](NC(=O)NNC(=O)C(=O)OC)C(C)C	1683074163	LUVDMOVJBVHZBO-ZETCQYMHSA-N	241.247	-0.852	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Br)CCN1	1877356523	RJFGNGBSQPQGIV-PHDIDXHHSA-N	247.092	-0.272	50	10	BBGE	
O=C1CN(C2CC(Br)C2)CC(=O)N1	1882559317	TWEHAECNHFROPR-UHFFFAOYSA-N	247.092	-0.129	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]1CF	1886121493	CRZZAMNUJWTXBK-RXMQYKEDSA-N	211.187	-0.345	50	10	BBGE	
COC[C@H](S[C@@H]1CC[C@@H]1N)C(=O)NN	1887478080	GJYDOAQECYHZON-XVMARJQXSA-N	219.310	-0.786	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CC[C@H](B(O)O)C1	1891518358	ZJKHWNQLWRNDAC-XVMARJQXSA-N	201.006	-0.580	50	10	BBGE	
CN(CC[C@@H]1CC1(F)F)CC(=O)NN	1892633943	COUTYMSHZARJDR-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
O=C(NCC(CO)CO)C1CC(Cl)C1	1893475891	YZAXGGCWBFCTGD-UHFFFAOYSA-N	221.684	-0.279	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC[C@@H](C)O	1899922691	IFEYWMZYNAGPIV-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)[C@H](F)C1	1901770411	LISFMCNCUDQMCR-HLTSFMKQSA-N	233.287	-0.450	50	10	BBGE	
C[C@](O)(CO)[C@@H]1CCN(C(=O)CCl)C1	1902215854	LBUWEELXVMOPIP-APPZFPTMSA-N	221.684	-0.183	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)CCC(=O)O)C1	1902523147	XJISPNAVTPLHID-SECBINFHSA-N	229.041	-0.683	50	10	BBGE	
C[C@@H](OC[C@H]1CCc2nccn21)C(=O)NN	1904709410	KLZFADLODCALNY-HTQZYQBOSA-N	224.264	-0.235	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCc2ncc[nH]2)C1	1905363992	XMUBLUZOZHJJQY-JTQLQIEISA-N	223.085	-0.109	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C1(C)C	1914330986	QHKTXGWPDNTRDS-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
Cn1cc(OC[C@@H]2C[C@H]2C(=O)NN)cn1	1927916406	POKACCQJBSDCAZ-POYBYMJQSA-N	210.237	-0.575	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1C[C@@H]1C(=O)NN	1927918892	YQJXLRVQSADORS-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
COC[C@@H](CCl)NC(=O)Cn1ccnn1	1928690001	DSWBDXQYGCSVSX-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COC[C@H]1CCl	1928749383	SKICEDQFHSDOEA-PHDIDXHHSA-N	213.686	-0.211	50	10	BBGE	
CC[C@@]1(C(=O)NNC(N)=S)CCCO1	1929050441	QZDGWQNLQKQVFU-QMMMGPOBSA-N	217.294	-0.190	50	10	BBGE	
NC(=O)NNC(=O)c1csc2cncn12	1931345092	FWNAIYUMJOXQCK-UHFFFAOYSA-N	225.233	-0.291	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CONC2=O)C1=O	1931729910	NNXSIQVLCVUYDR-XNCJUZBTSA-N	218.640	-0.496	50	10	BBGE	
CO[C@@H]1COC[C@H]1CNS(=O)(=O)CCl	1933412704	IBXNMGGSDKXMBQ-RNFRBKRXSA-N	243.712	-0.237	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2COC[C@H]2C1	1935927886	GFQOLYRYTDUSKW-RNFRBKRXSA-N	235.234	-0.810	50	10	BBGE	
NNC(=O)CN1CCOC[C@H]1CC(F)(F)F	1937816478	NVYMCCDRNGBXPK-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
CO[C@@H]1C[C@H](CNC(=O)C(=O)NN)C1(C)C	1939687642	WNWSSFQBGDPVOR-RNFRBKRXSA-N	229.280	-0.846	50	10	BBGE	
CN1C[C@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1939746329	LJXSQZBXBLLEAX-ZJUUUORDSA-N	225.292	-0.988	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2OCC[C@@H]2C1	1941086536	JIRWXUGPBGIDJD-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(n2ccnc2)C1	1941087096	VJAGWFXDXLFSEE-SCZZXKLOSA-N	235.291	-0.634	50	10	BBGE	
NNC(=O)COCCn1cnc2c1CCCC2	1941781204	YKXXKLVVFVXIAN-UHFFFAOYSA-N	238.291	-0.232	50	10	BBGE	
COCC1(OC)CCN([C@H](C)C(=O)NN)CC1	1946476316	XOOAJSPVCRMOLQ-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](O)C12CCC(CC1)N2C[C@@H](C)C(=O)NN	1947845399	NJKKXRRRKBGCGT-GHHKWEBWSA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1cnn(CC2CC3(C2)CC3(F)F)c1	1948664031	FXUPMYOVYRDBOB-UHFFFAOYSA-N	242.034	-0.002	50	10	BBGE	
COC(=O)[C@H](Br)CN(C)CCN	1953568062	OPGRSDBZGYTVNO-ZCFIWIBFSA-N	239.113	-0.187	50	10	BBGE	
C#C[C@]1(O)CCN(C[C@@H](O)CBr)C1	1954824010	QYYJOTQZKWITRJ-IUCAKERBSA-N	248.120	-0.188	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(S(=O)(=O)CCl)C1	1956310421	VZPCCZAOXOSHPC-BQBZGAKWSA-N	243.712	-0.406	50	10	BBGE	
NNC(=O)N1CCS[C@H]2COCC[C@H]21	1956782317	PZBMTXXVBINMFT-RQJHMYQMSA-N	217.294	-0.224	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(=O)NC(=O)C1	1957306440	KFBYYMHOZSDSRT-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
CO[C@]1(C(=O)NNC(N)=S)CCCOC1	1957528127	VTCYDTFBZANVMV-MRVPVSSYSA-N	233.293	-0.954	50	10	BBGE	
CCCC(=O)Nc1ccc(B(O)O)cn1	1958190045	YYILALWGPWFJNV-UHFFFAOYSA-N	208.026	-0.500	50	10	BBGE	
CCN(C(=O)NN)[C@H]1CCCCNC1=O	1961460951	LRVHWAGXXXPFMS-ZETCQYMHSA-N	214.269	-0.440	50	10	BBGE	
CCC1CN(c2ncc(B(O)O)cn2)C1	1961692803	WIRNGBCNBMCDNB-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	1962743599	MAUBXERXEDSYKJ-LBPRGKRZSA-N	243.071	-0.396	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2OCC[C@H]2F)cc1	1968604966	ZVBBYFIXSFXYSY-MNOVXSKESA-N	240.039	-0.128	50	10	BBGE	
NNC(=O)C(=O)NCC12CCC(F)(CC1)C2	1976863142	TUYNEXRYFZFQPS-UHFFFAOYSA-N	229.255	-0.235	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C(=O)NN)cn1	1979614351	WSGUNRCILJCMJA-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)cc(C)c1O	1979886743	GALDNNQFHMKXGX-UHFFFAOYSA-N	223.037	-0.249	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC(C)C)n1	1981422684	RYYUHFMJCUDKSJ-UHFFFAOYSA-N	224.069	-0.192	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCN(CC(N)=O)CC1	1982342732	FWDMVBWIFRLJPM-QMMMGPOBSA-N	247.726	-0.367	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)N1CC=C(C#N)CC1	1983455397	KYCCPKAWUHXYOE-SECBINFHSA-N	223.276	-0.233	50	10	BBGE	
CCOC1CN(CCC(F)(F)C(=O)NN)C1	1984130061	NLPOMHCVXLXJQM-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](F)C[C@@H](F)C1	1985766939	JDMMVDXVWGJFBR-PHDIDXHHSA-N	243.204	-0.007	50	10	BBGE	
Cc1cnc(O[C@@H]2CC2(F)F)c(B(O)O)c1	1985884578	QOCHAOWKVZKPDB-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)NN)CO1	1986868750	USGJQFXSDADNDX-NKWVEPMBSA-N	229.280	-0.704	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990040158	ZTHUGICCZFMSJJ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CCC1(Cn2cc(B(O)O)ccc2=O)CC1	1990565846	BPRRJJLPOFTPRN-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
CN1C[C@H](C(=O)O)N(C[C@H]2C[C@@H]2Cl)CC1=O	1991439689	UMBOIZWHHGSYLZ-GJMOJQLCSA-N	246.694	-0.159	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@]1(C)CCO	1994706014	AHIDOFFTCAAZTL-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1[C@H](CO)CCC1(C)C)C(=O)NN	1994867704	JAIWAVSGSZDUTI-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1CC12CC2	1996645951	QHOXIOFMLPUSQT-MRVPVSSYSA-N	232.048	-0.500	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC[C@H]1COC	1998228436	VILHYJPUJZAZKX-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(CCCC(=O)NN)CCN1CCCC1=O	2004257492	SBLGHTFBOAIOGK-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H]2C(F)F)O1	2004461664	OYFCCDRAXRFAJD-RNJXMRFFSA-N	249.261	-0.137	50	10	BBGE	
C[C@@H]1N(c2ncncc2B(O)O)CCC1(F)F	2004911043	BUJBFHUJAQOMPF-LURJTMIESA-N	243.022	-0.610	50	10	BBGE	
CC(C)OC1CN(c2ncccc2B(O)O)C1	2004936424	ZEGZUXHPXLMYQG-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
CCC1CN(c2nc(C)nc(C)c2B(O)O)C1	2005013835	BJRPYWGKSHUFOU-UHFFFAOYSA-N	235.096	-0.381	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@H]2C)n1	2005017869	LIAYDLFBSUFHNG-GMSGAONNSA-N	235.096	-0.300	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@]1(C)CCOC1	2006842820	MXPWEFACSKYKPG-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CC(CF)C2)n1	2006993946	GKCWYGWXABRCAN-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]2[C@H](O)C[C@H]21	2008730685	NYUIFNPQHFNEBZ-HBNTYKKESA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)[C@@H]2C[C@H]2C1=O	2008866138	GYLZJTGZQUAICD-RFZPGFLSSA-N	247.201	-0.993	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)C(=O)NN)C[C@@H](C)O1	2010673531	FQSVMAQWOXEOIV-BRPSZJMVSA-N	243.307	-0.362	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CCC[C@@H]21	2014924553	NBGZLOWGUQWKOI-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
C=C1CON(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1	2018244427	ZREJUINPOHTCOQ-VHSXEESVSA-N	241.291	-0.283	50	10	BBGE	
CC[C@H](COC)C(=O)N[C@@H]1CCC=C1B(O)O	2020055673	DEOALGCFEDSBEB-PSASIEDQSA-N	241.096	-0.124	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2021105284	QGNKOHJYUZHZEQ-ORMBPQIASA-N	233.076	-0.590	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccccc1B(O)O	2022201131	YTXNWUGFCNINRB-MRVPVSSYSA-N	239.055	-0.156	50	10	BBGE	
N[C@]12C[C@H]1CN(CC(=O)NNc1ccccn1)C2	2034067674	IKAVVVVTXRPYFH-CABZTGNLSA-N	247.302	-0.442	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2cc(C#N)cn2)n1	2050241991	KSUYTAUMNGSQDZ-UHFFFAOYSA-N	245.246	-0.860	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@]12CCOC2	2052490498	CVXRIIQRQZJKSN-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
COc1nc(N2C3CCC2CC3)ncc1B(O)O	2052621089	BQRVLDRMAVQFBL-UHFFFAOYSA-N	249.079	-0.704	50	10	BBGE	
CN(c1ncncc1B(O)O)C1C[C@H]2CC[C@@H]2C1	2070104157	ZMJQEQOBQCWMEQ-RKDXNWHRSA-N	247.107	-0.219	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2C[C@@H]21	2079008899	CNPWBRIODRSSCX-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)N1CC[C@H](B(O)O)C1	2208732603	WWHQCRVWRBLHIP-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@@H](O)CN1CCCl	2209127120	IJEKBATYLZUZTM-CSMHCCOUSA-N	209.673	-0.722	50	10	BBGE	
C=C(CN1C[C@@H](N(C)C)C(C)(C)C1)B(O)O	2211495005	PXLBDUYVFIDWFV-SNVBAGLBSA-N	226.129	-0.173	50	10	BBGE	
CC(C)(CN1CC=C[C@]1(C)CO)C(=O)NN	2211781590	IUWQGXGLXFSMEU-LLVKDONJSA-N	227.308	-0.375	50	10	BBGE	
CCOC(=O)CSc1ncccc1B(O)O	2212599074	CIQJGZSYOMXIDQ-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3CCC[C@H]32)nc1	2212601055	HYMFAGFUUYLAQH-DOFRTFSJSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CCC3)C2)c1	2212601082	IKJMJDIHDNWHFZ-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@H]2F)nc1	2212601111	ITJOMXCDKCLNEM-HTQZYQBOSA-N	225.032	-0.541	50	10	BBGE	
COCC1(Nc2cc(B(O)O)ccn2)CC1	2212615786	UVNNITPTLCVGLM-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
C[C@H]1C[C@@H]1CCN(C)c1ncncc1B(O)O	2215322570	WLRKTYDZKAHMGK-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
C[C@]1(COC[C@@H]2C[C@@H]2C(=O)NN)COCCO1	2216069718	ACEMIOVDRNBFQG-ATZCPNFKSA-N	244.291	-0.566	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1Nc1ncccc1B(O)O	2217174254	XYIKNBQWWDYHIM-WEDXCCLWSA-N	236.080	-0.261	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCO1	2217177408	ISIUXVFOUFMKJN-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]2CF)c1F	2217183925	PBAIDUGCDXWJNS-RQJHMYQMSA-N	242.034	-0.082	50	10	BBGE	
CN1CC[C@H]1CNc1nccc(B(O)O)c1F	2217185315	VIWQJFZUBVZYMQ-ZETCQYMHSA-N	239.059	-0.984	50	10	BBGE	
CC[C@H](CCCO)Nc1cc(B(O)O)ccn1	2217197379	LUIUFLMTPFWIHG-SNVBAGLBSA-N	238.096	-0.276	50	10	BBGE	
CN(C)[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223636050	FIEFMIBJISAGSK-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
C[C@@H](N)C1CCN(c2ccc(B(O)O)cn2)CC1	2223645621	XXCPRLKTVWMVSS-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]2C2CCC2)[nH]c1	2223677948	VKDSWQFULOORIE-ONGXEEELSA-N	247.107	-0.574	50	10	BBGE	
OC[C@H](O)[C@H]1CCN1CCBr	2241812082	XBOODEIZRORJMQ-RQJHMYQMSA-N	224.098	-0.191	50	10	BBGE	
CO[C@H](CO)CNC(=O)C=CC(=O)Cl	2242439369	JBXJLLMNUNUJSN-LURJTMIESA-N	221.640	-0.569	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1ccc(B(O)O)o1	2243357433	WTRWWJACYSOBSF-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
C=C1CCN(C(=O)c2ccsc2B(O)O)C1	2243359335	RCDHHKJHDWMZQJ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCSCC1	2243363920	OJQVBKBWZMXAQN-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)C1(B(O)O)CC1	2243364621	ZXUDVSFBMYXBLW-QMMMGPOBSA-N	227.069	-0.706	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381807	IYMQWDQTOQADME-YIZRAAEISA-N	225.053	-0.689	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243391194	HQSOJOKIHKXAPJ-BIIVOSGPSA-N	229.085	-0.628	50	10	BBGE	
CC1(F)CCC(NC(=O)C#CB(O)O)CC1	2243401869	YGNAYHBPTGLMFE-UHFFFAOYSA-N	227.044	-0.211	50	10	BBGE	
CC1(CNC(=O)c2csc(B(O)O)c2)CC1	2243408801	VNBWOAJRWMQEHQ-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243410710	GOCNCCXYNFHSNI-VIFPVBQESA-N	221.065	-0.135	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)[C@H]1C[C@H]1B(O)O	2243420100	MPQDVFVVOSDBLU-JGVFFNPUSA-N	229.085	-0.674	50	10	BBGE	
OB(O)C1CCN(C[C@@H]2[C@@H]3COC[C@@H]32)CC1	2244175293	AXEQROSIFAXBSB-JGPRNRPPSA-N	225.097	-0.182	50	10	BBGE	
COCCCCCO[C@H](COC)C(=O)NN	2244520355	KECDYPLARASPNH-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@H](C)OC)n1	2247235479	NUVXKJATJDOTIT-ZETCQYMHSA-N	241.052	-0.816	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2247740053	FNEBGCANZAJNOM-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1ccc(B(O)O)o1	2247741075	UIDSKVNVMHDJSA-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
C[C@]1(NC(=O)c2occc2B(O)O)C=CCC1	2247750159	FOIKGAWMZIYIEL-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
Cc1cc(C(=O)NN2CCC2)ccc1B(O)O	2247752801	WEPGWINGOFZFMF-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
O=C(N[C@@H]1CNCC12CCC2)C1(B(O)O)CC1	2247753926	BDFKNPDYMPOSAC-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
CCCONC(=O)c1ccc(F)c(B(O)O)c1	2247754844	AYRGYFRSFCINEL-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1cc(B(O)O)n[nH]1	2247783578	HRANXDWWQAKPPY-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
CC1CC(CO)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247800536	PXYOUEHALBQZNK-VCZAYRLQSA-N	241.096	-0.626	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C(C)(C)C1	2247808784	WEFOTNRLXHNKOI-IUCAKERBSA-N	240.112	-0.598	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810352	WROXQYBDFFCJTA-GUBZILKMSA-N	243.112	-0.237	50	10	BBGE	
COc1cc(F)ccc1NC(=O)C#CB(O)O	2247849353	ZAQORFPIRMHPCY-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1NC(=O)C1(B(O)O)CC1	2247857959	ZTUMJHWMCMMVBY-HTQZYQBOSA-N	240.112	-0.517	50	10	BBGE	
CN(C)CC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247860075	RNOXSFZAKVCXKF-QLEHZGMVSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)cn1C	2247874019	NVQKWKJKDCACDK-CBAPKCEASA-N	236.080	-0.815	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1coc(B(O)O)c1	2247874319	QBRJMGYQAIVLCI-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
NCC1(F)CC(NC(=O)C2(B(O)O)CCC2)C1	2247879347	SXFLHZLPQGGJHN-UHFFFAOYSA-N	244.075	-0.671	50	10	BBGE	
O=C(NC[C@]12CCOC[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2247887905	TUFHMBSYVILKPT-WYOJIJJFSA-N	239.080	-0.608	50	10	BBGE	
Cc1nn(C)cc1NC(=O)C1CC(B(O)O)C1	2247892050	SODBFCOIKABTKN-UHFFFAOYSA-N	237.068	-0.080	50	10	BBGE	
CC[C@@H]1NCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894880	LUOSHILDSISTOR-AATLWQCWSA-N	240.112	-0.504	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247899539	NYSZYYFYYYNAGK-BBBLOLIVSA-N	243.112	-0.143	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248579260	YZDCFGVKQDXDKI-FXQIFTODSA-N	241.052	-0.615	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C=CCOC2)c(F)c1	2249282744	YVNGNDPEUIKHMU-QMMMGPOBSA-N	239.011	-0.766	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1cc(B(O)O)co1	2249418468	UOPCOKQCQWJJKS-YUMQZZPRSA-N	235.048	-0.512	50	10	BBGE	
Nc1c(F)cccc1C(=O)NCC=CB(O)O	2249910919	HRLABHSMPSIFKO-UHFFFAOYSA-N	238.027	-0.294	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1c1cccnc1	2255466968	GWGLDOHHMJQXPR-NSHDSACASA-N	244.059	-0.240	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1occc1B(O)O	2255488842	KPMWECNHZXNNMA-VXNVDRBHSA-N	248.047	-0.619	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1c(F)cccc1B(O)O	2255510202	SNOHJSOOHPQYLO-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC=C(F)C1	2255510699	ZOVXBPKUOTXGFX-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)ccc1C	2255513896	ZWPHWBUMYRLPCM-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1C[C@@H]2C[C@H]2C1	2255514060	CJOZKEDUICWNFH-IUCAKERBSA-N	249.050	-0.403	50	10	BBGE	
Cc1ccnc(NC(=O)c2cc(B(O)O)n[nH]2)c1	2255549971	JFIWHMFJCRWNJV-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1C[C@@H]2CCCC[C@@H]21	2255551619	ZXVFMYFZGUWREF-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)n[nH]1	2255551971	FIGXXCJAZLRTLP-VIFPVBQESA-N	249.079	-0.874	50	10	BBGE	
Nc1cccc(NC(=O)c2occc2B(O)O)c1	2255745088	MYIWTRHYZSADDE-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1nccnc1B(O)O	2256050071	ANJNWUAZWUQBEZ-MRVPVSSYSA-N	249.079	-0.759	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2298375146	ZWCUXUWQWHWPQU-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
COC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375668	UXZXVNUXEPGKJB-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2CC	2299131361	ISYYMXWSUVMFBU-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
Cc1nc(O[C@@H]2[C@@H](C)C[C@H]2C)ncc1B(O)O	2301181105	XPMHPQGOKHQTQY-MTBHXBHISA-N	236.080	-0.112	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC/C=C/CN	2301347107	XUSRFMPEKOQNRZ-OWOJBTEDSA-N	231.064	-0.835	50	10	BBGE	
Cc1ncc(CN(C)CCOCC(=O)NN)o1	2303291771	MGNLAGTWYJSTLN-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H](C)CC(N)=O)C(=O)NN	2303426024	JYGHMPNXFXTQES-KCJUWKMLSA-N	244.339	-0.412	50	10	BBGE	
CCN(C[C@@H](C)N)c1cc(B(O)O)c(F)cn1	2303848037	SJOWJLJMMPSGGP-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c1B(O)O	2309538335	PNFORDZYPVXFQN-VLEAKVRGSA-N	244.103	-0.086	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CC[C@H]1N	2317164611	BPUKJRRCUZMIJU-GZMMTYOYSA-N	245.091	-0.613	50	10	BBGE	
O=Cc1ccc(NCC2CC(O)C2)cc1B(O)O	2317351604	KWPGZFPZIFGYMV-UHFFFAOYSA-N	249.075	-0.638	50	10	BBGE	
CNC=C(C#N)C(=O)NCCN1CCOCC1	2325490489	WGEZVXYXUHVRRP-UHFFFAOYSA-N	238.291	-0.938	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2O[C@H]3CC[C@H]2C3)nc1	2327594885	PQBRTHXZXYCESR-UJNFCWOMSA-N	249.079	-0.864	50	10	BBGE	
C[C@H](C(=O)Cl)N1CCN(CCO)CC1	32021406	BNDGEDFAYDMNRH-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)C(=O)NN)C1	42426520	CHJLDJVEYDECBP-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CCC[C@H](C)NC(=O)COCC(=O)NN	58846644	GOKWMHSPQJUQRM-ZETCQYMHSA-N	217.269	-0.702	50	10	BBGE	
C[C@@H](CN1CCC(N(C)C)CC1)C(=O)NN	82467672	RXQSUSWCMPPVFM-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
COCCN(C)Cc1occc1C(=O)NN	82470600	MZIZGUZWEOBSLI-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)C1CCNCC1	82470784	OASSBDVXXIHEMX-SECBINFHSA-N	228.340	-0.314	50	10	BBGE	
NNC(=O)CCCCn1ccc([N+](=O)[O-])n1	82471659	VKYVSSWUONGBKT-UHFFFAOYSA-N	227.224	-0.049	50	10	BBGE	
NC(=S)NNC(=O)CC[C@H]1CCCO1	83590834	XOSQBASCEOJQMX-ZCFIWIBFSA-N	217.294	-0.190	50	10	BBGE	
Cn1cnc(CCNS(=O)(=O)CCl)n1	87766860	PLVSMSSREKFZOA-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
C[C@@H](Oc1cccc(F)c1C(N)=O)C(=O)NN	113171888	FNWCFVDCBFAONL-RXMQYKEDSA-N	241.222	-0.318	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@@H](O)CC[C@H]2C1	125797666	JPCXHZUTDZXXBD-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C(C)(C)CO	134192651	IUKRGHFWYXFNDO-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1c[nH]nn1	137110922	OZXOELYVOBTQIW-RXMQYKEDSA-N	218.644	-0.212	50	10	BBGE	
COC(=O)NS(=O)(=O)NC1CC(Cl)C1	168636432	CVAQOOMBGNFBKY-UHFFFAOYSA-N	242.684	-0.053	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)CCO1	199005951	HETLXCJMUGLZFJ-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
CC1(C)COCCN1Cc1cccc(B(O)O)c1	199011531	UEZWRGUEDAPAII-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CCCN1CCN(c2ccc(B(O)O)cc2)CC1	204253504	YVQVOEATIJVZAX-UHFFFAOYSA-N	248.135	-0.102	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCCO)C1CCC1	228568493	FKUMBWDTYCKOKT-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CCOC(=O)c1c(C)cncc1B(O)O	238299235	CSXSRDWCUATBQM-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
OB(O)c1ccncc1OCC(F)(F)F	238630832	QSBPNGVPTPLQLM-UHFFFAOYSA-N	220.943	-0.298	50	10	BBGE	
COC(=O)[C@H](NC(=O)CCl)[C@H](C)O	238801265	UDCOYZWGBWAHDV-UJURSFKZSA-N	209.629	-0.736	50	10	BBGE	
COC[C@H]1CCCN(C[C@H](C)C(=O)NN)C1	300055183	HAAJLROHAYQJAZ-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	308872872	ZSQQXARLIMKVKW-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
CCOC(=O)C(=O)NNc1ncccc1N	309193981	QVLTVRMBVBZHKU-UHFFFAOYSA-N	224.220	-0.330	50	10	BBGE	
CCOCOc1cc(OC)ccc1B(O)O	309214364	UPWCBKMDADTAIZ-UHFFFAOYSA-N	226.037	-0.252	50	10	BBGE	
CCN(CCOCCO)[C@@H](C)[C@H](C)C(=O)NN	383097398	YYJRMKRTLISPCI-UWVGGRQHSA-N	247.339	-0.668	50	10	BBGE	
CC(=O)Cc1c(C=O)cccc1B(O)O	396066113	CCTZQFRFNMDVEZ-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
N#Cc1c(CO)cc2ccsc2c1B(O)O	396219381	KVYDVPCMTHFYTO-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1COC(C)(C)C1	396564523	VDVGVQYLGWYUMH-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
CNC(=O)NCCn1cnnc1CCl	397402694	FQGWJCUTRVIGOP-UHFFFAOYSA-N	217.660	-0.054	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(B(O)O)ccc1F	585000488	LAHJHBNJCIUFSU-JTQLQIEISA-N	249.050	-0.212	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccsc1=O	685957719	YSBNYMSOSMTYDN-UHFFFAOYSA-N	223.204	-0.465	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC1CN(C)C1	692718382	IBGISRQPUJPVHJ-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)OCCl	692863881	OPHLLFRKVVYQQD-UHFFFAOYSA-N	230.673	-0.542	50	10	BBGE	
Cc1nn(C/C=C/Cl)c(C)c1B(O)O	694266845	DLTXHUVTWVEVKD-ONEGZZNKSA-N	214.461	-0.068	50	10	BBGE	
CC(=O)NC1CN([C@H](CC(C)C)C(=O)NN)C1	695088199	SBSXTIJJSPBEOR-SNVBAGLBSA-N	242.323	-0.789	50	10	BBGE	
NC(=O)CN1CCN(C(=O)CCCl)CC1	700786604	RZGREEIFZSICPS-UHFFFAOYSA-N	233.699	-0.755	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H](O)C1CC1	703447959	AJPIOJVDAPIECN-IWSPIJDZSA-N	225.244	-0.326	50	10	BBGE	
C[C@@H](CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703473729	FPABEUAFZKZPFG-CIUDSAMLSA-N	227.260	-0.079	50	10	BBGE	
COCCC1CCN(CC(=O)NN)CC1	704146240	NMKCKDGTIGHHED-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CNNC(=O)Cn1c(C)csc1=O	704645601	VWDZLNXNAMXMNC-UHFFFAOYSA-N	201.251	-0.531	50	10	BBGE	
O=C(CCCl)N[C@@H]1CCOC[C@@H]1O	706712608	UOWKOGBHSKOZRX-RQJHMYQMSA-N	207.657	-0.119	50	10	BBGE	
COC[C@H]1CN(CCCC(=O)NN)CCO1	706715498	JQSQDAUIVXAHOA-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CCOC[C@H]1CCN(CC(=O)NN)C1	707555266	CMYNUIHXLPQESB-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708052439	XOXHSEIXHWHOAT-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@@H]1CO	708125076	SGHLDMFCDUQAMB-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCCS1	718301310	XCWVGWNKGLQCIQ-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ccn(C)n1	723523887	MPHQPZVLFMWYMH-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1COCC[C@@H]1O	725628244	USZIOSOHGCSMGF-QYNIQEEDSA-N	207.657	-0.120	50	10	BBGE	
C[N+]1=C/C(=N/[S@@+]([O])(=O)CCl)NC1	725635148	HNDGCGZXBHBBAO-GFCCVEGCSA-N	210.666	-0.385	50	10	BBGE	
Cn1cccc(C(=O)NNC(=O)C2CC2)c1=O	729284000	ZOLIQEJNIQWRBM-UHFFFAOYSA-N	235.243	-0.444	50	10	BBGE	
C/C=C(/CC)C(=O)NNC(=O)c1cn(C)nn1	855187736	QFZQJYLLSGJGHG-DAXSKMNVSA-N	237.263	-0.068	50	10	BBGE	
O=C(Cc1ccncc1)NNC(=O)c1ncon1	1472179491	WDMAAQJOMJQGSI-UHFFFAOYSA-N	247.214	-0.532	50	10	BBGE	
N#Cc1ccc(CC(=O)NNc2nc[nH]n2)cn1	1638772546	SJBRJAHDHPXSAD-UHFFFAOYSA-N	243.230	-0.243	50	10	BBGE	
O=C(CCl)N[C@H]1CCOC[C@H]1CO	1877036846	ROGZMFHZAFGHEK-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
CNNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C	1879957562	DUEJCANNILPFMO-LURJTMIESA-N	233.268	-0.877	50	10	BBGE	
CN=c1[nH]cc(C(=O)NN(C)C)s1	1882505840	UQUBCRMYSLXBGY-UHFFFAOYSA-N	200.267	-0.187	50	10	BBGE	
Cc1c(S)cc(CN)c(C)c1B(O)O	1887522740	KOPSPMCOBPOAQO-UHFFFAOYSA-N	211.095	-0.269	50	10	BBGE	
CC(C)(C)S(=O)(=O)CCNC(=O)NN	1888755088	TXRVNLVBDIIWIC-UHFFFAOYSA-N	223.298	-0.627	50	10	BBGE	
OB(O)[C@H]1CCN(CCOC(F)F)C1	1891516589	IWLLEXWEHMCPCO-LURJTMIESA-N	209.001	-0.226	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H](O)CF)C1	1891539719	SNHHKKDCZNVLBM-HTQZYQBOSA-N	205.038	-0.744	50	10	BBGE	
O=C1CCN(C[C@H]2C[C@@H]2Cl)C(=O)CN1	1893098532	JALMEEZUGAUWGL-RQJHMYQMSA-N	216.668	-0.038	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1896280601	XMTICOBENARWED-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	1907736838	KAANINLJFWHCEY-ZDCRXTMVSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2COC[C@@H]21	1908819521	QARZDCKHSWUSMK-PWSUYJOCSA-N	233.076	-0.803	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@H]1C[C@H]1C(=O)NN	1913476472	SPJKXDXIIQHISV-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
CC(C)(CCN1CC(C)(C(N)=O)C1)C(=O)NN	1914188548	HXDGSAKZBPVUEP-UHFFFAOYSA-N	242.323	-0.800	50	10	BBGE	
C[C@H]1CNC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923383531	WZQNLEFLCFEXNK-CRCLSJGQSA-N	239.197	-0.448	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](N)CC12CCC2	1925259339	OMTAIJAADKKXCR-SECBINFHSA-N	240.307	-0.891	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnsc1	1930600859	LEFSFJTZQUGGIY-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H]2C[C@@]1(CO)CO2	1931122872	QYUIKRFJAHFLBA-IWSPIJDZSA-N	216.668	-0.047	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CC(=O)NC2=O)C1=O	1932174367	QZCKGKCFXWMVNW-CDUCUWFYSA-N	230.651	-0.511	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN(C)CCC1	1932321668	VUVLDGNWCZPCCQ-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CN(C)NC(=O)[C@H](N)COC(C)(C)C	1934189909	UBRKBTKTVVWUSS-SSDOTTSWSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC[C@@H]1CCCO1	1935342833	CLEKCWJNAWHAAU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936084394	MYDZRFOLXNIFEL-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(OC(F)F)C1	1936091423	MVEIGSGUUKTGDH-CAHLUQPWSA-N	235.234	-0.464	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936091745	OCEAZXMDYFBVBD-CIDRVNMTSA-N	247.364	-0.689	50	10	BBGE	
CC(C)NC(=O)CSC[C@@H]1C[C@@H]1C(=O)NN	1936095668	ZPGOKYONFYNPKH-YUMQZZPRSA-N	245.348	-0.130	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)C1CN(C)C1	1937467632	MBXKRBBDXOWFQU-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)COCCOCCOCC1CCC1	1941771893	AVVSQFWBCYDJOY-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943085157	PDLZQQOKYPSOAD-XWLWVQCSSA-N	239.319	-0.685	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cocn1	1944182391	UHKDUIDBDBZSFJ-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C[C@@H]1F	1947334923	OOTGZJSAVSKDJQ-DOLQZWNJSA-N	245.298	-0.186	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@@H]1CC(=O)OC1=O	1951514733	RQJKJEGPXCKZQT-BQBZGAKWSA-N	231.273	-0.056	50	10	BBGE	
CSCC1CN(CCC(=O)NN)C1	1954519369	YZTUAJDDFNTQKQ-UHFFFAOYSA-N	203.311	-0.339	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)CCO1	1954822020	IIDISCDOLGRSQZ-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
COC[C@@](C)(CCO)NS(=O)(=O)CCl	1955202728	ZFYHXLDLXKJCEZ-SSDOTTSWSA-N	245.728	-0.110	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@H](O)C(=O)OC	1955557222	DGGBBICRBMNLEJ-WDSKDSINSA-N	223.656	-0.346	50	10	BBGE	
C[C@H](CN1CC[C@@H]1C(F)F)C(=O)NN	1956866459	STXJNXQLZKZQHB-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
N#C[C@@H](Cl)CN1CCO[C@@H]2CNC[C@@H]21	1957253064	IZOBQQYBJVERJV-HRDYMLBCSA-N	215.684	-0.210	50	10	BBGE	
CCC[C@H]1COCCN1C(=O)C(=O)NN	1961276685	JRKIZTSRVUCEQZ-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)C[C@H]1N(C)C	1961289667	ZXMXPHZMDKZDEQ-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21)C(=O)NN	1962114278	IKCLBRJNYWGTAR-SOYHJAILSA-N	209.293	-0.047	50	10	BBGE	
CCc1ocnc1CN(C)C(=O)C(=O)NN	1976731155	KOOFKCCHSLWFSB-UHFFFAOYSA-N	226.236	-0.815	50	10	BBGE	
CCCCNC(=O)N[C@@H](CB(O)O)C(=O)O	1976986619	CIYKUTBTPFQSAM-LURJTMIESA-N	232.045	-0.988	50	10	BBGE	
CON([C@H]1CCOC1)[C@H](C(=O)NN)C(C)C	1978751797	ZNCWBKDSOPBYFO-IUCAKERBSA-N	231.296	-0.347	50	10	BBGE	
C[C@H](CN1CC[S@](=O)C(C)(C)C1)C(=O)NN	1980950292	RUZIXTUPODJAAP-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
CCN(C)[C@H]1CCCN([C@@H](C)C(=O)NN)C1	1981058179	DDKMQMLXDKYAHZ-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CSCC1CN(c2ccc(B(O)O)cn2)C1	1981413180	CFSHZASSDAYPMW-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1ccncc1B(O)O	1981427075	RZNXETSATWAKIB-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
Cc1nc(N2CC(C)(C)C2)ncc1B(O)O	1981446932	GHFHGNLRAKXQPF-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2cc(Cl)cn2)n1	1981465602	OQOAQMNHYYEQKC-UHFFFAOYSA-N	238.443	-0.696	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]3C2)ccc1B(O)O	1981468375	AUQJQRDNCQIOOX-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
C[C@@H]1OCCN(c2nc(B(O)O)cs2)[C@H]1C	1981468808	IPPRHXPOVMUDCF-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2C[C@H]2C)c1B(O)O	1981531020	SPLVBBJZNVDSHE-SVRRBLITSA-N	221.069	-0.691	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NNC(N)=S)C[C@H]1OC	1982342579	DVZSXVJSILOKGW-KVSKUHBBSA-N	247.320	-0.709	50	10	BBGE	
C[C@H](OCCCN1CCOCC1)C(=O)NN	1982841817	MEFSIOMNFAKGOR-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
Cn1cc(OCCC(F)(F)C(=O)NN)cn1	1984127878	GAFXLPNQXSMWJZ-UHFFFAOYSA-N	234.206	-0.186	50	10	BBGE	
OB(O)c1ccn(CC23CC(CCO2)C3)n1	1984444252	GMUYCKVUHOKGOW-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccsc1C(=O)NN	1985743548	PFIDAOABENIUNG-SVRRBLITSA-N	241.316	-0.083	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1	1988058620	HAITUBYMTXDHOA-FNBUAPEOSA-N	225.292	-0.526	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1CC(F)(F)C(=O)NN	1989116533	GDRRPYNZGMTLNY-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
COC(C)(C)CN(C)CC(=O)NNC(C)=O	1990775323	UNUCAJUEGHUDGX-UHFFFAOYSA-N	231.296	-0.490	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@](O)(CO)C1	1991704270	QYTJRARDFRXLNL-VMZHVLLKSA-N	247.678	-0.346	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COC[C@H]21	1992328931	QFDQFODBDFQYSS-SGIHWFKDSA-N	225.292	-0.667	50	10	BBGE	
C=C(CN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1)B(O)O	1992373321	BXYOZXOGPMAMCK-LMLFDSFASA-N	223.081	-0.051	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C(F)F)C1CCCC1	1994270278	WLQSQTTWOCYWRE-ZCFIWIBFSA-N	235.234	-0.084	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1997511375	AQWVRMVMBXSNGZ-GXSJLCMTSA-N	240.351	-0.077	50	10	BBGE	
CCc1nn(C[C@@H]2CCO2)c(CC)c1B(O)O	1998270594	MTUQCRIMAUHKMC-QMMMGPOBSA-N	238.096	-0.523	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2ncccc2B(O)O)[C@H]1C	1998447330	DTZQOTVDKJZXMX-BQBZGAKWSA-N	234.064	-0.398	50	10	BBGE	
N#CC1(O)CCN(C(=O)C(F)(F)CCN)CC1	1999409510	MVMRGXHWRVWADA-UHFFFAOYSA-N	247.245	-0.152	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@H](C(=O)NN)C(C)C)C2	2001049309	MFKKDGJBIOZRJD-JFGNBEQYSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)c2ncccc21	2004298922	GUSMDJGBSDAMPD-QMMMGPOBSA-N	235.291	-0.284	50	10	BBGE	
COCCCCN(C)c1ccc(B(O)O)cn1	2004916295	KBKNNFJXCHAKKL-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H](C)C2CC2)n1	2004935191	LHPWSEXBNKTJBC-ZETCQYMHSA-N	236.080	-0.049	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CCCCO2)nc1	2004950102	BGURMLVFSCVFOS-SECBINFHSA-N	238.052	-0.896	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H](CF)C2)n1	2004970578	DXGGTOFDVKOIAR-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N(C)C2CC2)C1	2005181140	ZTWSYKAYEMTBEV-NSHDSACASA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC2(CC(O)C2)C1	2005805138	DBGLQIORPIFLLN-XTQFYOIMSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COC[C@@H](C2)C1	2015197945	SKGVJYXHEUOHFH-UKKRHICBSA-N	239.319	-0.419	50	10	BBGE	
COCC1(CN(C)CCOCC(=O)NN)CC1	2018962343	JCZZHWOXIHZPAU-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
CC(C)(C(=O)NCC#CB(O)O)[C@@H]1CCCO1	2021158203	YLJXQAFNFAEVIZ-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1ccncc1B(O)O	2056383137	GZIZBIYWDFNCTD-SBMIAAHKSA-N	248.091	-0.768	50	10	BBGE	
N#Cc1ccc(B(O)O)c(F)c1[N+](=O)[O-]	2060176990	RDXJVURJOPTHRR-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
COc1cc(C#N)cc(C=O)c1B(O)O	2060187833	VJATWEMLRZKRFH-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)c(C)n1	2069481392	UUIZEAMTLMAHRS-YUMQZZPRSA-N	249.079	-0.551	50	10	BBGE	
CCC[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2079523079	MQXQEPJNGUNTNO-VXNVDRBHSA-N	249.079	-0.469	50	10	BBGE	
COC[C@@H](OCC1(F)CC1)C(=O)NN	2209677655	KYSQIZUKFULAEK-ZCFIWIBFSA-N	206.217	-0.490	50	10	BBGE	
Cn1cccc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)c1=O	2210240812	XMLCBVQWLJKERB-NKWVEPMBSA-N	240.646	-0.267	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNc1ncc(B(O)O)cn1	2212602624	HHIKHOQATVSLIM-GMSGAONNSA-N	221.069	-0.386	50	10	BBGE	
CCCC=CCN=c1ncc(B(O)O)c[nH]1	2212610173	DRNHPNOZYWBQKV-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
CN1CCCN(C[C@H]2CC[C@H]2C(=O)NN)CC1	2215776264	LTRIZQNYVTVBLP-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
CCOCC1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215776548	NLUJLCITGWVIJJ-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215778265	YGKXTGLHINSSMN-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCCCN1CC2(CCC(=O)N2)C1	2216169914	AGVWGAICJRFMRU-UHFFFAOYSA-N	240.307	-0.889	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@]1(F)CCOC1	2216337542	HQZLPECTDFDIHR-WPRPVWTQSA-N	249.286	-0.948	50	10	BBGE	
C[C@H]1CC[C@H](Oc2ccc(B(O)O)cn2)CN1	2217179161	HFLBKRPHDIXZRA-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
COCC(C)(C)Nc1cc(B(O)O)c(C)cn1	2217180896	WTBIQTKQCGISHG-UHFFFAOYSA-N	238.096	-0.093	50	10	BBGE	
COCC[C@@H](C)Nc1nccc(B(O)O)c1F	2217181436	PXXMVEYGMRHJBR-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)[C@H]1CCN1	2217188330	MNJUPEKWINHXQI-HTRCEHHLSA-N	240.043	-0.970	50	10	BBGE	
CCNCC(C)(C)Oc1cc(B(O)O)ccn1	2217190050	KMIRREVXZIQFDS-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H](O)C1CC1	2217203399	UNCRENTYOKMKJW-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
OC[C@H](CC1CC1)Nc1cc(B(O)O)ccn1	2217205008	RXRVDXVKWJAQQG-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	2221562382	PYVGVPQPAWVSNK-UUFBCVLASA-N	249.314	-0.131	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3COC[C@@H]3C2)c1	2223630031	XRGRAGFDYSDEAZ-ZJUUUORDSA-N	248.091	-0.766	50	10	BBGE	
CCn1cnc(CNc2ccc(B(O)O)cn2)c1	2223638455	KYHHIPFVXVXELF-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
Cc1c[nH]c(=NCC[C@]2(C)CCN2)cc1B(O)O	2223650876	RXYSBNQGLKFQBG-GFCCVEGCSA-N	249.123	-0.954	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CCC(N)CC1	2223677958	VLYAZBVARDKEED-UHFFFAOYSA-N	249.123	-0.533	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(O)(CCO)C1	2241809693	VFUGOOTZVSVWTO-RQJHMYQMSA-N	219.668	-0.431	50	10	BBGE	
CC1(NC(=O)C(=O)NN)CC(C(F)(F)F)C1	2242700382	QOTSLBZMUWEIHH-UHFFFAOYSA-N	239.197	-0.177	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CO1	2243364457	XJWYRPRQQSZNLW-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
COCCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243383566	ZEQNWXXADMXMTD-DTWKUNHWSA-N	227.069	-0.656	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243400055	VDJXRZNPHPAPON-ZETCQYMHSA-N	224.069	-0.530	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243404877	VWHSZBPOTVJNQK-NRPADANISA-N	227.069	-0.874	50	10	BBGE	
CC1(CNC(=O)C2CC(B(O)O)C2)COC1	2243404902	WHMWLCNWFGLMGS-UHFFFAOYSA-N	227.069	-0.608	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)C1(B(O)O)CC1	2243410257	YCAGGTKBLCLYCF-MRVPVSSYSA-N	229.085	-0.531	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C(C)(C)CO	2243411172	PFXYPGQCNPBZFA-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@H]1C(C)C)B(O)O	2243413034	YGJDOSYCMVCLIY-IUCAKERBSA-N	247.125	-0.482	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](C)O	2243414969	LSZKNBIXAKPGJI-RBXMUDONSA-N	229.085	-0.485	50	10	BBGE	
Cc1nc(SCC2COC2)ccc1B(O)O	2244485255	ULCRVXDRZJWBFD-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H](F)C1CCC1	2244546421	LDSBOYKUQJTLOB-VIFPVBQESA-N	227.044	-0.354	50	10	BBGE	
CC(C)CN(C[C@@H](C)O)C[C@@H](C)C(=O)NN	2244881023	BWDGBPBWDDVRPB-NXEZZACHSA-N	231.340	-0.049	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)o2)C[C@H]1C	2247742255	MOVIQJAISZGPKV-CSMHCCOUSA-N	237.064	-0.266	50	10	BBGE	
CC1(C)C[C@@H](C(F)F)CN1C(=O)C#CB(O)O	2247744589	VEIHBSJJMHEKSC-SSDOTTSWSA-N	245.034	-0.106	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@H]1N	2247755170	HKLJBCGQKNENFR-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@@H]1COC2CC1C2)C1(B(O)O)CC1	2247755417	IBZPWNCHLXGFEF-QJAFJHJLSA-N	239.080	-0.465	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C(C)C	2247784405	UKPPWOIUUHAOSF-SSDOTTSWSA-N	239.084	-0.746	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)ncn1	2247787967	XDTDXYALTIWXDI-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@H]1C	2247799139	AALQEZTZEUZREM-NFTFJBJSSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@]12CCCNC[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2247801101	WZKNSJXQZBXHRU-CKEKPRIKSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1OCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247808564	VIGLYILPQTVQRK-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC([C@@H](F)CO)C1	2247810549	YHABNFLYZBKECY-DMBGQZSHSA-N	245.059	-0.972	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CC[C@H]21	2247848648	ONARQHQNSIXQNQ-GMSGAONNSA-N	234.064	-0.681	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C(C)(F)F	2247870429	JPSPJIFOTFZOGI-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
CCN(O)C(=O)c1ccc(OC)c(B(O)O)c1	2247875883	DTXOACHTGHXHPF-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
CO[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887791	RQSUNXLAVZAUSM-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@]2(O)C[C@@H]2C1	2247894389	GHSQFGQAASWUNZ-TURQNECASA-N	239.080	-0.777	50	10	BBGE	
COC[C@@H](OC1(C(C)(C)C)COC1)C(=O)NN	2250782567	NEBHEGNAJGGCRR-MRVPVSSYSA-N	246.307	-0.177	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Oc1ccc(B(O)O)cn1	2251041496	CVHHDJOETFHTKE-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
N#CC1=CCN(C[C@@H]2CO[C@H]3CNC[C@H]3O2)CC1	2253908188	SKUJYERTXYYARG-FRRDWIJNSA-N	249.314	-0.102	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)o1	2255468132	WMEWLTILZRHJEH-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
CC(C)(NC(=O)c1ncc(B(O)O)cn1)C1CC1	2255471429	SOMUYQZHJTUBAS-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1cc(B(O)O)cn1C1CC1)N1CCCC1	2255507054	XHHGSYDKNHEBMI-UHFFFAOYSA-N	248.091	-0.261	50	10	BBGE	
C#C[C@@H](NC(=O)c1ncccc1B(O)O)C(C)C	2255519657	ABCREBINZVKXEC-SNVBAGLBSA-N	246.075	-0.851	50	10	BBGE	
O=C(Nc1ccccc1F)c1cc(B(O)O)n[nH]1	2255549338	GJPBHJYMONPFCA-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(NC1CC2(CCC2)C1)c1cc(B(O)O)n[nH]1	2255552840	QFXJVEZOULEYSQ-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1cc(B(O)O)c[nH]1	2255669684	RZKKZIOUTCMBNN-MYJAWHEDSA-N	248.091	-0.578	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccncc1B(O)O	2255728902	NHRRZJTYSHBTEU-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(CC2CC2)C1	2258128638	RHELCIRLSAUBEJ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CC[C@H]2C1	2258152648	HOYJOMWPTDDYRV-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2260808136	NIKKVMAIDJICTK-IUCAKERBSA-N	249.031	-0.974	50	10	BBGE	
C[C@@]12CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@]1(CO)C2	2298368396	BFXNKDFIUZKQQK-MKHNBGRSSA-N	239.080	-0.920	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)[C@H]1C[C@H]1B(O)O	2298369797	FRBFTFPUEYPUQQ-SJQPAMGKSA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298375119	YZTWGINLMURMKF-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376358	TUVKDBDUUQZSDK-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
NCC=CCNc1ccc(C=O)c(B(O)O)c1	2301421367	TWAOBUUUJUSYRK-UHFFFAOYSA-N	234.064	-0.894	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1	2303107914	CGZCORHKTFUHMP-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C23CC(CO2)C3)C1	2303111808	NBTTUVJBQFDDNL-LDGBHUKOSA-N	239.080	-0.369	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H](C)[C@H]3C2)ncc1B(O)O	2312066157	BQHMOKHCRQLFBF-FXBDTBDDSA-N	247.107	-0.443	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)oc1B(O)O	2312851974	ALWHSTUIOICJOB-BDAKNGLRSA-N	249.075	-0.108	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	2312856784	QHSGRIWYDKVNKZ-JPYZYGQNSA-N	247.103	-0.057	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cc[nH]n1	2317152034	XNRIPFHCIIYSME-UHFFFAOYSA-N	242.047	-0.427	50	10	BBGE	
COCCNC(=O)C(C#N)=CNCCC#N	2324630902	RZELQNJEEUDVKV-UHFFFAOYSA-N	222.248	-0.340	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cn2cccnc2n1	2326757866	MKTPXIWKEHZFLI-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
CC(C)(SS(=O)(=O)O)[C@@H](N)C(=O)O	32213211	FXVDYYJCEPCGJJ-VKHMYHEASA-N	229.279	-0.287	50	10	BBGE	in-vitro
CCN(CCOC)C[C@@H](C)C(=O)NN	58849601	AUQQGUSAPGEGCZ-MRVPVSSYSA-N	203.286	-0.419	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](N)C1	70596859	XSDJFEKYASFDPR-VIFPVBQESA-N	214.313	-0.430	50	10	BBGE	
N#Cc1ncn(CCCCCC(=O)NN)n1	70596928	SSPATIRABQYGDX-UHFFFAOYSA-N	222.252	-0.300	50	10	BBGE	
NC[C@H]1CCN(CCCCCC(=O)NN)C1	70652462	POUALCKXOVEFGR-SNVBAGLBSA-N	228.340	-0.183	50	10	BBGE	
CN(C)C[C@H]1CCCN1CCCC(=O)NN	82468632	KNYXHOBLUBOQGZ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C(=O)NN)C(C)C	82469545	JIFJQWMLTQNMRH-VIFPVBQESA-N	230.312	-0.931	50	10	BBGE	
C[C@H](CCC(=O)NN)SC[C@H](O)CO	86661902	RSHXMIUTLMSTBV-RNFRBKRXSA-N	222.310	-0.769	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2ccnc2C1	93071957	LANBZOCAPZDJJZ-IUCAKERBSA-N	237.307	-0.287	50	10	BBGE	
Cn1c([C@@H]2CCCN2)nnc1[C@@](C)(O)C#N	106366065	RZPWESDCLBMIPT-XVKPBYJWSA-N	221.264	-0.029	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CCCCC(=O)NN)C1	166157550	BOCKQULLWFZRKW-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccccc1Cn1cccn1	203175055	RJMAPERTEYNMNP-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
N[C@]1(C(=O)O)CCCC[C@@H](B(O)O)C1	204989364	HWUAOJOFZVUISD-HTRCEHHLSA-N	201.031	-0.424	50	10	BBGE	
NCCc1csc(-c2cccc(B(O)O)c2)n1	211490696	OFTYKAMNSLEFSZ-UHFFFAOYSA-N	248.116	-0.009	50	10	BBGE	
COC(=O)[C@@H](Cl)[C@@H](OC)C(=O)OC	216554193	REFKUTPMDILWCM-CRCLSJGQSA-N	210.613	-0.045	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCCCO1	223773968	IOZZBOMDOPASJP-SSDOTTSWSA-N	215.253	-0.948	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C[C@@H](Cl)C#N	228520708	UYPZKBDJZIWADY-IUCAKERBSA-N	245.710	-0.046	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@H](CO)C1	232301055	UWWIISNXLZKRBL-SSDOTTSWSA-N	227.713	-0.131	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(C(=O)NC(=O)CCl)C1	235395367	XPBKNKREEQJNNI-SECBINFHSA-N	247.682	-0.341	50	10	BBGE	
O[C@H]1O[C@H]([C@H](O)CCl)OC[C@H]1Cl	238705556	RTIRCQLWLDMWOI-ARQDHWQXSA-N	217.048	-0.115	50	10	BBGE	
COC(=O)[C@H](N)[C@@H](O)CSSC	238800766	ZQIACFZFORMSMF-CRCLSJGQSA-N	211.308	-0.141	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCCN(C)C1	251534049	KLICYQYGGUKDKE-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CS(=O)(=O)CC1=NC=C(C#N)S1(=O)=O	259994851	IURNUMYQTVWKQG-UHFFFAOYSA-N	234.258	-0.777	50	10	BBGE	
O=S(=O)(CCCl)N1CCOC[C@@H](O)C1	307183079	OXXYSVVLYTWHMJ-ZETCQYMHSA-N	243.712	-0.752	50	10	BBGE	
CC(C)S(=O)(=O)NNC(=O)N(C)C	308132735	CAANXBHTISVMLA-UHFFFAOYSA-N	209.271	-0.500	50	10	BBGE	
CCC(=O)NN=C/C(C#N)=C(\O)NC=O	308675383	COVYVDRKRDXTKR-YTYSUHCLSA-N	210.193	-0.462	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)c1ccoc1	309410527	INDQJRUXMYWNNT-ZCFIWIBFSA-N	211.221	-0.222	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[S@](=O)CC1	321904705	QURQMMFPHDBXMD-FVMDXXJSSA-N	247.364	-0.401	50	10	BBGE	
CC(=O)N(C)Cc1ccccc1B(O)O	380007599	LLPLMHPUEGWUQT-UHFFFAOYSA-N	207.038	-0.655	50	10	BBGE	
CC(C)(C)NCC(=O)NNC(=O)C(C)(C)O	381175035	VANLNHBMULLFBS-UHFFFAOYSA-N	231.296	-0.707	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccc(C)cc1	381476384	QYGIUXOOBMUUEC-UHFFFAOYSA-N	221.260	-0.025	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21	383547271	GQOKHYKFPZJCCC-GKFJPSPNSA-N	212.157	-0.826	50	10	BBGE	
CC[C@@H](CO)N(C)[C@@H](CC)C(=O)NN	393954436	UMASKSJWOBOUNU-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
O=c1ccc(F)cn1Cc1ccccc1B(O)O	395850188	MFMXEYSGVDGYMP-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
N#Cc1cc2cc(CO)c(B(O)O)cc2s1	396230567	YLYHPGVVWSUHBW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN(CCF)CC1	402795837	VAIJQQAAELJAOR-NXEZZACHSA-N	246.330	-0.412	50	10	BBGE	
Cc1ccc(B(O)O)cc1N[S@](C)=O	404874506	DFRCDVCJXVPBAC-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)c(C)c1	405097587	YKYDGPGCLGHECC-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CCC[C@H]1OCC2	687413688	JZIJRTQXZSJZNM-HZGVNTEJSA-N	213.237	-0.355	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)CC(C)(C)C(=O)NN	688146487	PRSACVGMDOCJBL-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
CN(C[C@@]1(C)CC1(F)F)C(=O)C(=O)NN	689216008	WOJOEFJPHVZLPN-SSDOTTSWSA-N	221.207	-0.520	50	10	BBGE	
OB(O)c1ccn(CCc2ccccn2)n1	694307085	FQGIANLJZZYTNC-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
NC(=S)NNC(=O)c1cn2c(n1)CCCC2	697198655	OUSQQLGBZBPGHR-UHFFFAOYSA-N	239.304	-0.303	50	10	BBGE	
COc1cncc(CN2CC(=O)OC(=O)C2)c1	699863884	KJOSTRFPNDGATC-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
CC(=O)c1cc(C(=O)NNC(N)=O)n(C)c1	700868692	GNUOOMPDPSZAKW-UHFFFAOYSA-N	224.220	-0.459	50	10	BBGE	
CN(C[C@H]1CCCS1(=O)=O)C(=O)NN	710664524	RHEUDDDZDLMOMI-ZCFIWIBFSA-N	221.282	-0.921	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN(C)C(=O)C(=O)NN	716620260	QHVDSXZDSBFPBC-RYPBNFRJSA-N	225.292	-0.273	50	10	BBGE	
O=C(c1ccccc1)n1ccc(B(O)O)c1	716783482	DZIQIGGPODHEFZ-UHFFFAOYSA-N	215.017	-0.144	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)[C@H](C)C(=O)NN)C1	719807127	NDWWBFXQJOQWNS-FXQIFTODSA-N	215.297	-0.687	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C(=O)NN)C[C@@H](C)O1	724477723	YNMZZUCVJBVSGC-JIGDXULJSA-N	229.280	-0.704	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCCc2n[nH]cc21	758181368	BNFJGOGQNJUBGI-LURJTMIESA-N	237.263	-0.210	50	10	BBGE	
COC(=O)CNC(=O)NN=C1CO[C@@H](C)[C@@H]1C	844590675	UADCYIYUKFNYAU-BQBZGAKWSA-N	243.263	-0.131	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1ncccn1	1129832898	DVKHNSWXVOGKCT-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cn[nH]c2)no1	1131740497	AGYVXWZTWWKKGQ-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1CCNC(=O)CC1	1163282158	ZKYGRECWDSAZND-VIFPVBQESA-N	243.307	-0.752	50	10	BBGE	
CCn1cc(CC(=O)NNc2nc[nH]n2)cn1	1457837897	RVRCJAMTIVJPNQ-UHFFFAOYSA-N	235.251	-0.293	50	10	BBGE	
CC(=O)CSCC(=O)NNC(=O)C(C)(C)O	1633133302	WJEFMWLBKBHJCL-UHFFFAOYSA-N	248.304	-0.773	50	10	BBGE	
Cn1cc(C(=O)NNc2ccn(C)n2)nn1	1648762727	IPHUWZTYJHNGJJ-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
O=C(NC1CNC1)[C@H]1C[C@H]1Br	1877412396	ZWYCPTGOIGZUHD-NTSWFWBYSA-N	219.082	-0.142	50	10	BBGE	
NCCONC(=O)[C@H]1C[C@@H]1Br	1880434923	WNYUMTSFGXFFRA-WHFBIAKZSA-N	223.070	-0.224	50	10	BBGE	
CP(C)(=O)CCC(=O)NCB(O)O	1882002828	XIMAESHPJFTBFF-UHFFFAOYSA-N	206.975	-0.873	50	10	BBGE	
C#C[C@H](CCl)NC(=O)c1cn(C)nn1	1884831081	LZBWIFAUUSYCKZ-ZCFIWIBFSA-N	212.640	-0.215	50	10	BBGE	
CCN(CC(=O)NN)CC1(O)CCC1	1885616636	OCRXGXHQXYYCAN-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CCCC(=O)NN	1885791098	QTHSOANFOMPMDJ-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
COC[C@H](OCC=C(C)C)C(=O)NN	1887955075	ZJVRTDLDKQTKBM-QMMMGPOBSA-N	202.254	-0.026	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CCNC1	1893118552	ITPINUJRTQBCNS-RNJXMRFFSA-N	238.740	-0.105	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1CS(=O)(=O)C1	1893418376	ZATAXMXZHNCGFK-UHFFFAOYSA-N	237.664	-0.779	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCO[C@H](CO)C1	1893470942	YDHTVKQPQRHFIT-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
CO[C@@H]1CC(N(C)CC(=O)NN)C[C@H]1OC	1894792199	OTAWCQAQTYZWJX-RKDXNWHRSA-N	231.296	-0.900	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	1898604290	XCKUVPPVOYDWML-XKNYDFJKSA-N	227.308	-0.685	50	10	BBGE	
CN(C(=O)c1cnsc1B(O)O)C(C)(C)C	1900474043	BMMMRMZVMVZMQL-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1[C@](C)(O)C2)C(=O)NN	1901323472	KQOZENVVBMYXHL-FTYOSLGDSA-N	227.308	-0.542	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@@]1(C)N)S(C)(=O)=O	1901343791	GMHXINMIQRORSV-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
C[C@H]1C[C@]1(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901359932	OKJKOMCPXCWSND-IMTBSYHQSA-N	247.320	-0.821	50	10	BBGE	
Cc1ncncc1CN1CC[C@@H](B(O)O)C1	1902505620	KFYLIMFAXSAVTE-SNVBAGLBSA-N	221.069	-0.166	50	10	BBGE	
O=C1NCC[C@@H]1CCN1CC[C@H](B(O)O)C1	1902533871	FFXDMAJCWIQBIN-BDAKNGLRSA-N	226.085	-0.939	50	10	BBGE	
C=C(Cn1cc2c(cc1=O)CCC2)B(O)O	1902592236	AWWKLJIBHNZYIA-UHFFFAOYSA-N	219.049	-0.095	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1CCOC1	1928178937	KOXMFZUSTIAWHP-MRVPVSSYSA-N	218.253	-0.954	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1[C@@H](O)CO	1928572895	BXGRCHKWZJSEMF-PRJMDXOYSA-N	237.683	-0.806	50	10	BBGE	
O=C(CCn1cnnn1)N1CC[C@H](Cl)C1	1928688082	CBBNODSZIKXGLE-ZETCQYMHSA-N	229.671	-0.097	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC[C@H]2COCCO2)C1	1928752572	FYAALWWZPLKXFP-GUBZILKMSA-N	234.727	-0.087	50	10	BBGE	
NNC(=O)CCN1CCOC2(CCC2)C1	1931628235	RNBFGEUGHYMEQD-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
COC[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1935945574	VDUAAMKNEYIDNV-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@H]1C[C@H]1C(=O)NN	1936085806	SAGCIILHCFCIMR-BZNPZCIMSA-N	225.292	-0.131	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CN(C)CCOCC(=O)NN	1936536648	WWVXTWUPWZWAPB-KOLCDFICSA-N	229.324	-0.029	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1F)OC	1937136235	KERMNMVXHMFKLQ-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CC(C)(CN1CCn2nccc2C1)C(=O)NN	1941177765	IZTQOSLDTFAJEC-UHFFFAOYSA-N	237.307	-0.285	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)C[C@H]1C	1945883247	WIRPCHZUKIKAEB-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CCN1C[C@@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1950683071	SMHNLWSQJXTDMX-GHMZBOCLSA-N	239.319	-0.598	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@H]2[C@H]1C2(F)F	1958117678	SPFDBHQPCRAPRH-SRQIZXRXSA-N	218.996	-0.594	50	10	BBGE	
C[C@H](CN1CC[C@H]1CN(C)C)C(=O)NN	1958803301	DAUYBJAVNSGYPR-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([S@@](C)=O)C1	1961564181	MTXBKBPWCIVNFV-VXJOIVPMSA-N	233.337	-0.792	50	10	BBGE	
CC[C@@H]1CCN1c1ncncc1B(O)O	1961680063	PAJQEYGHIXWHRE-SSDOTTSWSA-N	207.042	-0.855	50	10	BBGE	
CCN1CCN(CC(=O)NN)C(C)(C)C1	1962436212	JULZKMDXIUSUSW-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)C(=O)NC1CCC(CF)CC1	1962442525	QGEJXLCYINISTE-UHFFFAOYSA-N	217.244	-0.379	50	10	BBGE	
CN(CC1(O)CC1)S(=O)(=O)CCl	1963337706	QFZNARJKWXVEPY-UHFFFAOYSA-N	213.686	-0.031	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@H](F)C1	1978710255	YCINPQJROHJVGC-NKWVEPMBSA-N	233.243	-0.083	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C[S@](C)=O)C1	1987038384	RUTDZQVRMSWHES-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990039981	XWQMCHLZQYOCJA-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2CC(F)(C2)C1	1990775364	UWYHGSAKGLOAOH-UHFFFAOYSA-N	229.255	-0.412	50	10	BBGE	
COC(=O)[C@H](CNC[C@H]1C[C@@H]1Cl)NC(C)=O	1991432021	IIAJVZBJHSTZAI-VGMNWLOBSA-N	248.710	-0.119	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1997511378	AQWVRMVMBXSNGZ-ONGXEEELSA-N	240.351	-0.077	50	10	BBGE	
COC1(COc2cncc(B(O)O)c2)CCC1	2002518570	DJJZFOIXTWKCSE-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnn(C)n1	2004800198	IMGONDQEWSHGLC-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
CN(CC1CC(F)C1)c1ccc(B(O)O)cn1	2004918156	HZQILQAZYJOPSW-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
CCO[C@@H]1CCN(c2ccncc2B(O)O)C1	2004940747	ZRQNWVWLWCZGEM-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1ncn(C)n1	2008810416	HVUJPQMBKBMDMJ-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1OCC[C@@H]1F	2009207162	VIPHFNZCAJRUNW-IUCAKERBSA-N	249.286	-0.948	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]2[C@@H]1CCN2C	2012127514	MAFQFDVFWRYGJG-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCC[C@H]2C1	2052462460	QJIRTJANXNVSOJ-AOOOYVTPSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2OCC[C@H]2C1	2052491087	IQFPGFAZBAXNGX-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
C[C@H]1CCC[C@H]1n1cnc2c(B(O)O)ncnc21	2055727933	HDVGBMXZLQECCS-JGVFFNPUSA-N	246.079	-0.133	50	10	BBGE	
CN(Cc1cccn2ccnc12)C(=O)C(=O)NN	2056957191	YAJXCKJXRJHHHK-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
COc1c(B(O)O)cc(F)cc1[N+](=O)[O-]	2060093632	ARCGSESDCJDFML-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2070842508	KYUCPHWNFFQOEP-DMEYHIBBSA-N	244.103	-0.148	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2nccn2c1	2076081015	ZNWYSGJSVUWDID-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
CC(=O)NNC(=O)CSCCCCO	2209863566	VDLMESYRWVHLPQ-UHFFFAOYSA-N	220.294	-0.341	50	10	BBGE	
Cn1nccc(NC(=O)NC(=O)CCl)c1=O	2211120070	ZBFAQWCKDAOBLP-UHFFFAOYSA-N	244.638	-0.333	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2211377636	MXZLRMUNLJJQON-VQVTYTSYSA-N	229.041	-0.925	50	10	BBGE	
NNC(=O)CCCOc1cccnc1C(N)=O	2214882624	JFEJYNBGBRGJOW-UHFFFAOYSA-N	238.247	-0.671	50	10	BBGE	
C=C[C@H](CC)OCCn1cc(C(=O)NN)nn1	2216922905	KUBHWEHTJRAHGN-MRVPVSSYSA-N	239.279	-0.137	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCNCC2)nc1	2217183763	KXYTXOCRXOXYEB-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
COC[C@@H](C)CNc1nccc(B(O)O)c1F	2217184527	POWFZMQLRZFFRT-ZETCQYMHSA-N	242.059	-0.405	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1c1ccc(B(O)O)cn1	2217197050	KCHSIXHHKGYKCY-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
CC(C)OCCCNc1ncccc1B(O)O	2217199429	MGDNXIWQMMHCHU-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1Nc1cc(B(O)O)ccn1	2217201986	HKBXGEDEYFJTHM-PSASIEDQSA-N	235.096	-0.877	50	10	BBGE	
OCC[C@H]1CCCN1c1ncccc1B(O)O	2217203922	BXMKCIYYUZDPGN-SECBINFHSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2	2223624755	GGRQOQXUBZTKPC-MYJAWHEDSA-N	248.091	-0.577	50	10	BBGE	
C=CC1(O)CCN(c2cc(B(O)O)ccn2)CC1	2223634044	FATYLIUPDQBXEE-UHFFFAOYSA-N	248.091	-0.721	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H](CN)C2)cc1B(O)O	2223645397	WJDLINUUGGHYTN-VHSXEESVSA-N	249.123	-0.391	50	10	BBGE	
CC1(C)C[C@@H](Nc2cc(B(O)O)ccn2)CCN1	2223668797	BJDRZJBHVRWGRZ-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(c2cc(B(O)O)ccn2)C1	2223671828	QGASEUYKDSISJA-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
C[C@H](SC[C@@H]1CCCN1)C(=O)NN	2241292636	MHBAPBLBEKCUBG-BQBZGAKWSA-N	203.311	-0.150	50	10	BBGE	
CC(C)NC(=O)c1csc(B(O)O)c1	2241468975	XYMCGHHIDFUXFY-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ncsc1B(O)O	2243359437	SVTUQPORXUKPSN-WDSKDSINSA-N	240.093	-0.649	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243364413	WWNKHHBHAHJFCZ-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CN[C@H](C)CCNC(=O)C1(B(O)O)CCC1	2243365234	KADWSIUHCVKXBN-MRVPVSSYSA-N	228.101	-0.502	50	10	BBGE	
O=C(N[C@]12CCOC[C@H]1C2)C1(B(O)O)CC1	2243366234	ZCOWBKVUUBBCFB-XCBNKYQSSA-N	225.053	-0.711	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cc(B(O)O)sn1	2243377547	BIIJRGXVALFPFI-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CCCC1	2243386245	XAJQNTFLWOMQKN-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(C(=O)C#CB(O)O)C1	2243398044	BAOVMGVSPRKDLQ-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1C(=O)C1CC(B(O)O)C1	2243413551	IXAXFHDBGDKGLT-DFAZKQQPSA-N	226.085	-0.813	50	10	BBGE	
C=CCN(CCC)S(=O)(=O)CC(=C)B(O)O	2243433711	PDSPAXQPNBWKCD-UHFFFAOYSA-N	247.125	-0.218	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243752241	GXCDUFFURXAIRM-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@H]1O	2247736255	TUSLPGGUSCZZCI-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ccc(B(O)O)o1	2247739770	BHEJGQOZYFOZNV-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CCOC[C@@H]1CCCCN1C(=O)C#CB(O)O	2247742978	XARUPPSVQJSDPQ-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
COCC1(C)CCN(C(=O)C#CB(O)O)CC1	2247747120	JEQDGZPNJOLTPB-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
C=C(F)CNC(=O)c1ncc(B(O)O)cc1F	2247751367	WUTNNHOPDXPJHB-UHFFFAOYSA-N	241.990	-0.887	50	10	BBGE	
CC1(C)CN[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247754545	MSFBRUBHNNPACO-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CCC2)CCCN1	2247756100	MFOGIIZKWCZZBF-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1occc1B(O)O	2247756159	MJXWMJJWWOUJJH-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1F	2247756969	IGXFAEALMFZATR-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
Cc1ccc(C(=O)NCCC#N)c(B(O)O)c1	2247762011	YYTDXRLJERQROQ-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790535	HWWLZXFGBAYKTM-IMSYWVGJSA-N	241.096	-0.362	50	10	BBGE	
COC[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2247796645	BQBRFSQVKFJSDI-AEJSXWLSSA-N	243.112	-0.116	50	10	BBGE	
C[C@]1(O)CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810144	VDUQOZGYSDSSDO-KBIXCLLPSA-N	241.096	-0.341	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CCNC2)C1	2247852666	XWAJLQIAMNCYCL-KYZUINATSA-N	238.096	-0.939	50	10	BBGE	
C[C@H](O)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247859055	JYZFJBJHOILKGC-UJNFCWOMSA-N	241.096	-0.531	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NCCF	2247876369	NZBZFYCGKYQQRU-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CC1CC1)C1COC1	2247886967	IMFLPZSATNNKEB-VHSXEESVSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H](CC(C)(C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894010	BHFRKNOIFWCKNT-XHNCKOQMSA-N	243.112	-0.095	50	10	BBGE	
N[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903171	IWUPZCPVKMZAEB-QCLAVDOMSA-N	240.112	-0.375	50	10	BBGE	
N#CC1=CCN(C(=O)C2CC(B(O)O)C2)CC1	2247903809	NBKURVNCJQBVDN-UHFFFAOYSA-N	234.064	-0.078	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(F)c(F)cc1O	2248172013	NVSKWXKEMOBKFR-UHFFFAOYSA-N	240.958	-0.376	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248587599	RSCMDGJOUCXZOX-KKMMWDRVSA-N	243.068	-0.439	50	10	BBGE	
CC(C)OCCNC(=O)c1cc(B(O)O)co1	2249411017	POZAVQQVLUITBT-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1[C@H](CCN=c2ncc(B(O)O)c[nH]2)[C@@H]1C	2251079629	VKQJXNBEWQKWLD-DIYOJNKTSA-N	235.096	-0.718	50	10	BBGE	
C=CC(=O)NCc1ccc(B(O)O)c(OC)c1	2251317577	PUOBYGJGZCPVCI-UHFFFAOYSA-N	235.048	-0.823	50	10	BBGE	
Nc1cccc(NC(=O)c2coc(B(O)O)c2)c1	2255455702	DKVAMMZKPZZCTC-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1ccoc1B(O)O	2255459461	HFMOQCUFPRODOV-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
Cc1ccc(C(=O)O)cc1NC(=O)C#CB(O)O	2255468811	HCIWYEXJIPNRDS-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(F)cc1B(O)O	2255497463	BNHFAVDFDTVDTN-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)cn1C)C(C)C	2255507502	AAAIBFWEFXJLRQ-UHFFFAOYSA-N	248.091	-0.811	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)cn1CC	2255509993	RBMLYWLUWUCBLW-UHFFFAOYSA-N	248.091	-0.351	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ncccc1B(O)O	2255715576	HQFKNVLJNAVZBX-QMMMGPOBSA-N	246.075	-0.709	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1Cc2conc2C1	2255716444	CWHPLKJASBTLTD-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ccc(B(O)O)cn1	2255717041	HWCQXPKIRJERSU-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)c1cn[nH]c1	2255722086	KNHOKDIQKJRYHE-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1ccncc1B(O)O	2255728769	LIGVLYYFUCNFGX-SNVBAGLBSA-N	246.075	-0.566	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	2255731938	NQZLNHHGMJKJKZ-DOJAILBCSA-N	247.103	-0.038	50	10	BBGE	
C=CCCNC(=O)c1ccc(OC)cc1B(O)O	2255789569	JIYBTITVUBUOMH-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
CC#CC(=O)N1CCc2c(cccc2B(O)O)C1	2256636422	OOQLVIYRUWPZCX-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
COC[C@@]1(C)C=CCN1c1ncccc1B(O)O	2257131283	LXCBRFSKVFZFIL-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
C#CCN(CC)C(=O)c1ncc(B(O)O)cc1C	2257485863	CNUHGFADRBHXMS-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)c1ncc[nH]1	2258138189	HGVJZLYMSHYWNT-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1ncccc1NC(=O)c1cc(B(O)O)co1	2258139056	RQBJNFNZTSBOLJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C(=O)[C@H]2CCC[C@@H]21	2258152915	LOZCVEMWJUIZJV-YUMQZZPRSA-N	249.031	-0.890	50	10	BBGE	
C#CC1(NC(=O)c2c(F)cccc2B(O)O)CC1	2258949119	HDKWPZDCQVAFAL-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)C(=O)[C@@H]1C[C@@H]1B(O)O	2298370184	RDZXKQSWOCQAMS-QQRDMOCMSA-N	239.080	-0.800	50	10	BBGE	
CC1(C)CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2298371455	LQZFCDJKOLABAN-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
C[C@@]1(O)CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377545	VDUQOZGYSDSSDO-TURQNECASA-N	241.096	-0.341	50	10	BBGE	
CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CC2	2298377553	VRNVITFBVMMHTE-HLTSFMKQSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299257315	ISYUDZKORIIVDV-LXGUWJNJSA-N	241.052	-0.924	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300193925	ZEUMBTBFHZUJIU-LMLFDSFASA-N	241.335	-0.154	50	10	BBGE	
COc1ccc(=O)n(CC(B(O)O)=C(C)C)n1	2301964171	IIKYUMUROCEWFT-UHFFFAOYSA-N	238.052	-0.400	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@](C)(B(O)O)C1)C1CC1	2303107906	CEBAWDDQCVQIOW-ONGXEEELSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1nncn1C	50421906	HEOPDIGSDKFRCS-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
ClCc1nnnn1C[C@@H]1COCCO1	54744066	WHNIKPBWUYGNDT-ZCFIWIBFSA-N	218.644	-0.173	50	10	BBGE	
C[C@@H]1CCCN(C(=O)COCC(=O)NN)C1	58849277	RVLUGGHHLXVVIF-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
Cc1cncc(C(=O)NNC(N)=S)c1	83892782	FYDKCFFCTVKZNO-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cnc([N+](=O)[O-])n1	86313782	RGBILVAVWPIKMC-CRCLSJGQSA-N	228.212	-0.627	50	10	BBGE	
Cc1oc(CN(C)CC(N)=O)cc1C(=O)NN	104109936	WBRPQYSEZDWZOZ-UHFFFAOYSA-N	240.263	-0.891	50	10	BBGE	
CCOCC(=O)NNC(=O)c1cc(C)no1	108906562	CJRFWHYMVOLRFU-UHFFFAOYSA-N	227.220	-0.219	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)C(=O)NN	113345889	AUGDGKLCCMBSFJ-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
O=C(NCCOCCCl)[C@H]1COCCO1	137017395	KATWMUBGKMXQRB-MRVPVSSYSA-N	237.683	-0.227	50	10	BBGE	
COc1ccc(=O)n(C[C@@H](O)CCl)n1	157648218	XNEIBCGGFMKTMH-LURJTMIESA-N	218.640	-0.148	50	10	BBGE	
CC(C)OC(=O)c1cc(B(O)O)ccn1	200784324	CNWHFLBLRRRHBJ-UHFFFAOYSA-N	209.010	-0.673	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093361	OPVJULADPCTFFS-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
NC1=NC(=O)N[C@@H](O)[C@@H]1Br	238613734	FGHMPDBCSLWBFT-GPKNORDASA-N	208.015	-0.851	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1CC(O)C2	252600167	LKBVVWGRYJVIIE-JXUBOQSCSA-N	241.335	-0.011	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)C(=O)NN	252884927	XDYVXNWNVQOZLQ-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
CN(N)C(=O)Cc1ccc2c(c1)N(C)C(=O)CO2	258943238	CSUAINQPKRSTKW-UHFFFAOYSA-N	249.270	-0.084	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](OC)[C@H](OC)C1	300044806	FWWIADYFKXKFTL-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@H](C)C1	300794261	ACHIYSSIYXHWSD-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2O[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Cl	306772425	SIIMPOCAYCQRBK-LKPKBOIGSA-N	218.592	-0.383	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C1(C)C	307116645	ZBVTZYSXGOTKHC-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H](C)OC	308169821	AXYMZMRSNQHDSX-YFKPBYRVSA-N	205.283	-0.464	50	10	BBGE	
COC(=O)c1cnc(C(C)C)c(B(O)O)c1	309203925	ZYLRQSYWNVNCKQ-UHFFFAOYSA-N	223.037	-0.329	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(CC(C)(C)C(=O)NN)C1	310108912	DRQAGPUAXNDPPM-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
COC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	379583965	NSGUKGVLRNBFAA-RNFRBKRXSA-N	201.270	-0.669	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H](CC)CO	382104851	PIXPSAKUSWKTHE-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)c1coc(CO[C@H]2CCOC2)n1	386939772	HEYJUOMRWQHDAE-LURJTMIESA-N	227.220	-0.416	50	10	BBGE	
OCc1cc(O)c2c(B(O)O)csc2c1	396343510	OEJZNTHTOZMZAP-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC2(CN(C)C2)C1	398765868	XNOVDZUZLKLWPQ-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
CCC(=O)Nc1ncc(B(O)O)s1	404927530	ACVLBAPVXTVYCH-UHFFFAOYSA-N	200.028	-0.829	50	10	BBGE	
CC[S@@](=O)N[C@H](C)c1ccc(B(O)O)cc1	404927598	PVLSMOHDYVZNTD-VPTHRUTESA-N	241.121	-0.299	50	10	BBGE	
CCC1CN(CC(F)(F)C(=O)NN)C1	685955587	JYSCSYUVJKTZBM-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cnsc1	687180265	CWDJVOSUIYSZEI-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C)[C@H]1CO	688665557	JRPLOARNSUUOOY-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
CC(C)N(CCN(C)C)[C@@H](C)C(=O)NN	688928488	UBUQSLZENAJMFR-VIFPVBQESA-N	216.329	-0.363	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC1CN(C)C1	692717140	BEQZGWXSTHTRQL-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
CC(=O)N1CCC[C@@H](C(=O)NNC(N)=S)C1	700878516	FGYIRKQHMCNNTL-SSDOTTSWSA-N	244.320	-0.891	50	10	BBGE	
NC(=O)NNC(=O)/C=C/c1ccc(C(N)=O)cc1	700889180	KTEYYWDWHWRGQB-ZZXKWVIFSA-N	248.242	-0.502	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1CCN(C)C	701450773	XQTHLQIDWHLTRE-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CNNC(=O)Cn1c(=O)oc2ccccc21	704665757	PAPCMKBWYHEYHM-UHFFFAOYSA-N	221.216	-0.155	50	10	BBGE	
CN(C(=O)CBr)[C@@H]1COC[C@H]1O	709112213	XPBYAJCXVKVVBA-PHDIDXHHSA-N	238.081	-0.401	50	10	BBGE	
C[S@](=O)N1CCc2cccc(B(O)O)c21	712242637	AKSJTKLJGZMZDF-HNNXBMFYSA-N	225.078	-0.978	50	10	BBGE	
CN(C)NC(=O)Nc1cc(C(=O)O)nn1C	725216897	YKJHVCDAUWXJCI-UHFFFAOYSA-N	227.224	-0.284	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12	800378344	GYYFPFWIBSVZIU-QTSVJQMESA-N	246.266	-0.519	50	10	BBGE	
CC[C@H]1COCC1=NNC(=O)[C@H]1COCCO1	853315449	RTOGOQYYARZQIX-WCBMZHEXSA-N	242.275	-0.070	50	10	BBGE	
CCCN(C)CC(=O)NNc1nnc(C)n1C	856048785	MMYSQDJHXVAFMU-UHFFFAOYSA-N	240.311	-0.092	50	10	BBGE	
CNC(=O)NNC(=O)Cn1ccc(C(F)F)n1	858748376	SLKCTTODSBKRSX-UHFFFAOYSA-N	247.205	-0.219	50	10	BBGE	
CC[C@H](F)C(=O)NNc1ccc(C(N)=O)nn1	1182997974	ZVRSLRHJWVPJSL-YFKPBYRVSA-N	241.226	-0.233	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1cnn(C)c1	1251136039	VIBBBNYBUMSVBE-UHFFFAOYSA-N	239.235	-0.518	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1coc(C(N)=O)c1	1299922383	AOGCJMBMIGLTJV-LURJTMIESA-N	241.247	-0.664	50	10	BBGE	
COC(=O)N(C)NC(=O)CCc1cn(C)nn1	1328558034	GQCBAHRXOLBADM-UHFFFAOYSA-N	241.251	-0.523	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cnnn1C	1347219719	OOCMOZGYXMCNDL-UHFFFAOYSA-N	248.250	-0.902	50	10	BBGE	
O=C1C[C@@H](c2n[nH]cc2[N+](=O)[O-])C(=O)O1	1535794215	FJCMJULNMYBOHM-VKHMYHEASA-N	211.133	-0.125	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)CC(C)(C)O	1644645110	FGUPAHQULJFYKC-UHFFFAOYSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](Br)C(=O)NC1(CO)COC1	1881117776	FCSWSABEWLASJX-RXMQYKEDSA-N	238.081	-0.353	50	10	BBGE	
O=C(CBr)NC[C@@H]1CCNC1=O	1881334072	UOWYAVMFRAGLSF-YFKPBYRVSA-N	235.081	-0.366	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@H](O)C1	1882906042	DAFRFVZQZJDNOJ-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
O=C(O)CNC(=O)NC[C@@H]1C[C@H]1Cl	1883568213	UURDUWJVYZCDMD-CRCLSJGQSA-N	206.629	-0.003	50	10	BBGE	
CN(C)CCOC[C@H]1C[C@@H]1C(=O)NN	1884725330	KDNSQJFTGYQHBV-SFYZADRCSA-N	201.270	-0.809	50	10	BBGE	
CN(C)CCNCCS(=O)(=O)CCCl	1886761297	HXVUCCCFIRCUNN-UHFFFAOYSA-N	242.772	-0.209	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)NC1CC(Cl)C1	1887284064	WISVCVORMJURCW-KPGICGJXSA-N	220.700	-0.029	50	10	BBGE	
CC[C@H](O[C@@H]1CCN(C)C1)C(=O)NN	1894991850	MFUPNWHQQQRSCO-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
Cc1nn(C)cc1OC[C@@H]1C[C@H]1C(=O)NN	1896120584	OLOMOGPQLDLCIG-JGVFFNPUSA-N	224.264	-0.267	50	10	BBGE	
C[C@@H]1NCC[C@@H]1CC(=O)NN(C)S(C)(=O)=O	1901341782	ZTYBMZDWDBHIAA-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@H]1C[C@@H](O)C1	1901751872	JHDYYDOLYSYTFJ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](F)C1=O)C(=O)NN	1902719135	CQZAKRSLYBGOOJ-GMSGAONNSA-N	231.271	-0.037	50	10	BBGE	
CCC(=O)Nc1cc(F)c(F)cc1B(O)O	1904699777	GAYCEACMRLOPNH-UHFFFAOYSA-N	228.991	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@]1(C)CCO	1904864855	HAXBHINSVIJDBR-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1909253214	VAUGEUPPWBXIIH-VPOLOUISSA-N	241.335	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]2COC[C@@H]21	1909984483	XANOBVXBXNAZLY-ZJUUUORDSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N=[N+]=[N-])C1	1912201527	VTHATKFFYUZXQC-SSDOTTSWSA-N	226.240	-0.462	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914011588	SXGUFISUMAVXMA-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917086391	HJXLZWLXJQGSDV-SCZZXKLOSA-N	233.287	-0.449	50	10	BBGE	
N#CC1=CCN(C[C@@H](O)CC(=O)O)CC1	1917108165	GHZXCIQJHBBPTJ-VIFPVBQESA-N	210.233	-0.022	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@H](F)C1)C(=O)NN	1927865639	AILGJEIAIIIYII-BWZBUEFSSA-N	219.260	-0.983	50	10	BBGE	
CN(C)C(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927916012	MPXZJORVLVBQOB-NKWVEPMBSA-N	231.321	-0.566	50	10	BBGE	
COC[C@H](CCl)NC(=O)Cn1ccnn1	1928690002	DSWBDXQYGCSVSX-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
O=C(NNCCO)[C@@H](O)c1ccccc1	1929836204	FNCVPNKIDJFBAF-VIFPVBQESA-N	210.233	-0.667	50	10	BBGE	
O=C(NCB(O)O)C1(CC(F)F)CCC1	1931754260	XXZWIMQRFLSCSR-UHFFFAOYSA-N	221.012	-0.060	50	10	BBGE	
COCCN(CCF)C[C@@H]1C[C@@H]1C(=O)NN	1936084649	NPMAMIFXDSDBMV-IUCAKERBSA-N	233.287	-0.470	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@@H]1C[C@@H]1C(=O)NN)C2	1936086390	UYLKWWDYEBUTHC-KBIXCLLPSA-N	225.292	-0.524	50	10	BBGE	
Cn1c(O)nnc1SC[C@H]1C[C@@H]1C(=O)NN	1936093567	FTRRMSZSKFGSSD-UHNVWZDZSA-N	243.292	-0.761	50	10	BBGE	
CCO[C@@H]1CCN(CCOCC(=O)NN)C1	1936533626	ZXQYCIUOFQABRE-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1CC1(C(=O)NN)CC1	1938231746	CDPHQKUGPJRBCG-SSDOTTSWSA-N	247.320	-0.820	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2ncnn2c1	1939435672	KTUJLJQFCJJBKH-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940089197	ZNYXCPMORTYNHC-XSPKLOCKSA-N	223.276	-0.519	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)[C@@H]1O	1941090571	PFNAEHQFCVVIJH-HPENLJRUSA-N	241.335	-0.439	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCC2)[C@H](CO)C1	1946314461	DHRFADMIGJYMNF-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@]1(OC)CCCN([C@H](C)C(=O)NN)C1	1946476184	XCHPYQGXRSUGDR-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@@H]1COCCCO1	1948416984	MDBVQYCBMMROGO-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
COC1(C(N)=O)CN(CCBr)C1	1953618394	QVCHLACNPGWWOR-UHFFFAOYSA-N	237.097	-0.433	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]1CCl	1954309744	LYLJNYZAXUBCHV-NTSWFWBYSA-N	225.697	-0.226	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)[C@@H](CN)C1	1957257955	XGESCLCWVJBPNW-IUCAKERBSA-N	216.716	-0.308	50	10	BBGE	
O=C(NNCCO)N1C[C@@H]2CC[C@H](C1)O2	1959575951	BJGWCYYUGIXZBE-OCAPTIKFSA-N	215.253	-0.944	50	10	BBGE	
NNC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1	1959590176	FQMCKOLXQRVYPG-UHNVWZDZSA-N	227.186	-0.328	50	10	BBGE	
C[C@H](CO)N1CCN(C[C@@H](O)CCl)CC1	1961173239	AEQOSUWYPCHMNC-ZJUUUORDSA-N	236.743	-0.416	50	10	BBGE	
CCC[C@H]1COCCN1[C@H](C)C(=O)NN	1961275591	BCLJUFUHNCMMIM-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](F)CCN)CC1	1975972471	RMZAQDCCDDMJOB-MRVPVSSYSA-N	229.255	-0.450	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCC[C@]2(CO)C1	1976391576	ZMROCUQQWOVUBL-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
CC1(C(=O)N[C@H](CB(O)O)C(=O)O)CCC1	1976980039	SMCVHHQMYSMMLP-ZCFIWIBFSA-N	229.041	-0.781	50	10	BBGE	
Cc1nc(N2CC(CF)C2)ccc1B(O)O	1981473121	WMKSQCZQYZXYRW-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
CC[C@@H](OC)C(=O)N[C@@H]1CCC=C1B(O)O	1991331571	ZWUUCKHEKYWOKM-RKDXNWHRSA-N	227.069	-0.372	50	10	BBGE	
C=C(CN(C)Cc1cnnn1CC)B(O)O	1992152815	JBFSVTHYUAGKFJ-UHFFFAOYSA-N	224.073	-0.702	50	10	BBGE	
CC1(C)OCCN(C(=O)C(=O)NN)C1(C)C	1994191895	COHODUDDRGSWSI-UHFFFAOYSA-N	229.280	-0.608	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1[C@H]2CC[C@H]12	1997531393	YESVIHABWWLVHW-UWVGGRQHSA-N	231.060	-0.039	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@H](C)[C@@H](C)C(=O)NN)C1	2002123131	YVWQBOYOSYHNJO-KYXWUPHJSA-N	245.323	-0.918	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCNC(=O)[C@H]1C(C)C	2003812115	IVQAPPUGTBUIJT-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
COC(C)(C)CN(C)c1ncc(B(O)O)cn1	2004911564	IOJSFGZTVVPFCJ-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1cnc(-n2cnc(C)c2C)c(B(O)O)c1	2004992081	ZSYNMMWJRFLVNY-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H](C)[C@H]2C)n1	2005017406	DUMDQXQKGPDAQX-POYBYMJQSA-N	235.096	-0.382	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]2CF)c(F)c1	2005018384	SQKLSGWHXDCWAE-MRVPVSSYSA-N	242.034	-0.161	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cc([N+](=O)[O-])cn1	2008868071	TWYCATXYYHEAHJ-UHFFFAOYSA-N	249.177	-0.193	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008976180	ZSHLCBVITMVDHV-XWLWVQCSSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC(F)F	2014703413	POFPETSUWLVKOM-RNJXMRFFSA-N	248.277	-0.612	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCC(=O)N(C)C1	2014825519	NDUKBCOPPGCMNJ-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
COC[C@@H]1C=CCCN1CC(=O)NNC(C)=O	2019208407	HYFKIXGENYKGIY-JTQLQIEISA-N	241.291	-0.569	50	10	BBGE	
C=C(CN1CCC[C@H](OCCOC)C1)B(O)O	2021157457	MQJWSWMRAFKATQ-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC3CC2C3)nc1	2021285643	VZAAQHIDVIPBHD-SFVIPPHHSA-N	234.064	-0.276	50	10	BBGE	
C#CCCCNC(=O)c1ccccc1B(O)O	2022196752	RDFPJRUZSCTUEB-UHFFFAOYSA-N	231.060	-0.490	50	10	BBGE	
CN(C)C[C@@H]1CCN1Cc1ccccc1B(O)O	2042722914	FJDGDZLZNPCXNW-LBPRGKRZSA-N	248.135	-0.498	50	10	BBGE	
Cc1nc(C)n(Cc2nn(C)cc2C(=O)NN)n1	2050241148	GONFHZQFOVYRTG-UHFFFAOYSA-N	249.278	-0.720	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)ncc1B(O)O	2052554943	BXXFURZMXFVLHF-QXFUBDJGSA-N	249.123	-0.054	50	10	BBGE	
CCN(C)C1CN(c2nc(C)ccc2B(O)O)C1	2052557801	AVVSKZDJINPERX-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)n1	2052558914	GRHYVMBLXBSNJC-WDCWCFNPSA-N	244.103	-0.086	50	10	BBGE	
N#Cc1ccc([N+](=O)[O-])c(Cl)c1B(O)O	2060102080	BAPVMRAOIKULKR-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCOc1c(C#N)ccc(C=O)c1B(O)O	2060186153	HSQRZWDPAJQQJS-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
C=C(Cn1ncc(N2CCCC2)cc1=O)B(O)O	2077483092	MFFGVNVRNTZFGF-UHFFFAOYSA-N	249.079	-0.588	50	10	BBGE	
C[C@H](O)C1(NC(=O)c2ccccc2B(O)O)CC1	2079008396	IZSHDJJEIFNVFD-QMMMGPOBSA-N	249.075	-0.990	50	10	BBGE	
CN1CC[C@H](COCc2ccc(B(O)O)cc2)C1	2080331798	GUQDUOZFKRXALG-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
OCC[C@@H](O)COCC[C@H](O)CCl	2080532713	PBKBEDMONRKXTA-JGVFFNPUSA-N	212.673	-0.264	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NCB(O)O)O1	2209647278	LXGCQHJKMZCCGD-BQBZGAKWSA-N	201.031	-0.928	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CCC12CC2)C(=O)NN	2211243895	IOKLWTAPMARHQZ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
Cc1cnc(N2CC(CF)C2)cc1B(O)O	2212602994	BRMWODISWLVKDH-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
C=C(C)CCCN=c1ccc(B(O)O)c[nH]1	2212615676	SKXMIQVICUJNRU-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)[C@H]1C[C@@H](O)C1	2212783774	RJBCYXHNQDUYAM-DTORHVGOSA-N	239.275	-0.162	50	10	BBGE	
CC[C@H](N)CN(C)Cc1cccc(B(O)O)c1	2214594520	GXCCXGURKWPYLT-LBPRGKRZSA-N	236.124	-0.465	50	10	BBGE	
C[C@]1(CO)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215773082	AMNPOVOACBMKOK-UMNHJUIQSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@@]2(CO)C1	2215773917	UXQMAHLPGTWURE-BFLSOPEQSA-N	239.319	-0.683	50	10	BBGE	
N#CCN(CC#N)CC1(C(=O)NN)CCCC1	2216882181	VRJUFXLDHAZGAC-UHFFFAOYSA-N	235.291	-0.114	50	10	BBGE	
CCCC[C@H](CN)Nc1ncc(B(O)O)cn1	2217172036	GZIGICCFWQMVII-SECBINFHSA-N	238.100	-0.914	50	10	BBGE	
CCC1(CNc2ncccc2B(O)O)COC1	2217173214	PCBZQHHRNFNFTB-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
Cc1ncoc1CNc1ncccc1B(O)O	2217179302	JDTPTVZKQYNEGN-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CCC[C@@H]32)c1F	2217182615	FPWMPLZBDMHNTO-CBAPKCEASA-N	236.055	-0.111	50	10	BBGE	
Cc1c[nH]c(=NCCC(C)(C)N)cc1B(O)O	2217184618	QIPXYNANDBJVEY-UHFFFAOYSA-N	237.112	-0.969	50	10	BBGE	
CC[C@@H](COc1nccc(B(O)O)c1F)NC	2217186899	QHNHIRDZVZGZIV-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
NC1(CCNc2cc(B(O)O)ccn2)CCC1	2217198911	HZDLYOWPHCIBHS-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
Cc1oncc1CNc1ncccc1B(O)O	2217204288	HSOYPVMSDXIUGV-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Nc1cc(B(O)O)ccn1	2217205272	WVDOHIKDSZBUDB-NXEZZACHSA-N	235.096	-0.557	50	10	BBGE	
Cc1cnc(N[C@H]2CCCN[C@H]2C)cc1B(O)O	2223650138	IQAFAHCXVQSORQ-ONGXEEELSA-N	249.123	-0.378	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)C(F)F	2241468817	VLGLCCIIYAUBSB-UHFFFAOYSA-N	204.969	-0.838	50	10	BBGE	
O=C(CCCCl)N1CC(O)(CCO)C1	2241807063	BACJUOLNVLBFDZ-UHFFFAOYSA-N	221.684	-0.039	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1ccc(B(O)O)o1	2243350347	ZRMSLLPXHUTPBR-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ncsc1B(O)O	2243358693	JJOADRSQVXRJLD-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
Cc1csc(C(=O)N2CCOC2)c1B(O)O	2243377517	APSCHWXHHDGLOK-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)cs2)C1	2243377852	IBOSFHAMADWHNC-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243381855	JSHCDFPLGPAZKM-MAUMQABQSA-N	229.085	-0.628	50	10	BBGE	
C[C@@H](O)C(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382057	LBORIAJHBOCOFM-PRJMDXOYSA-N	229.085	-0.485	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243392210	RZWLMRYICYLPQJ-ABIFROTESA-N	227.069	-0.467	50	10	BBGE	
O=C(NCCCCCO)C1CC(B(O)O)C1	2243404854	VNYNLEBQYILILN-UHFFFAOYSA-N	229.085	-0.482	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H](O)C1)C1(B(O)O)CC1	2243410288	YUHDHYJJDLNWHG-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
NCCN(CC1CC1)C(=O)C1(B(O)O)CC1	2243410329	ZRIHBKJLPRMGBF-UHFFFAOYSA-N	226.085	-0.809	50	10	BBGE	
CN(CCCF)C(=O)c1csnc1B(O)O	2243411740	ZGFVFLUDPNGTMS-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
CC1(C)CCN1C(=O)c1sncc1B(O)O	2243414473	BMXDGVKJDXNGPP-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C#CCONC(=O)c1cc(C)sc1B(O)O	2243414610	DWGHQKYQLQCWLL-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
C=CCN(OC)c1nc(C)ncc1B(O)O	2244266480	DNHRYGLQTZSINQ-UHFFFAOYSA-N	223.041	-0.981	50	10	BBGE	
N#C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2247735733	ONRREBCHWSJBAQ-MRVPVSSYSA-N	238.052	-0.866	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(C1)CC(F)(F)C2	2247741277	XCGYXVRBVCQFMP-UHFFFAOYSA-N	243.018	-0.304	50	10	BBGE	
CO[C@@H]1CCCCC[C@H]1NC(=O)C#CB(O)O	2247746890	FVLNGJJRBDJOSW-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
CC1(C)C[C@H](CN)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247796834	DFMDPBGAXACIBS-HRDYMLBCSA-N	240.112	-0.565	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1ccnnc1	2247797207	HAIBQCVARPZORD-UHFFFAOYSA-N	235.052	-0.308	50	10	BBGE	
O=C(N[C@@H]1COCCC1(F)F)[C@H]1C[C@@H]1B(O)O	2247797576	KYZRQBANXBCLDM-LYFYHCNISA-N	249.022	-0.610	50	10	BBGE	
O=C(NCc1ccc(F)cn1)[C@H]1C[C@@H]1B(O)O	2247797689	MCEBNYFPQABYKA-IUCAKERBSA-N	238.027	-0.300	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247806522	FRCUPUAXESWWKB-XKNYDFJKSA-N	241.096	-0.364	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCNC1	2247807429	RCFMXTIPUJIEDQ-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@@H]2CCCC[C@H]21	2247847674	AEQJPGLGIIGPSM-NXEZZACHSA-N	237.064	-0.828	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ccc(B(O)O)o1	2247850687	RNODJDKZRUKGSA-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
CCCc1nocc1CNC(=O)C#CB(O)O	2247850861	AIJBFZHOWPDNDO-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1ccoc1B(O)O	2247866925	VLGYCGZIEUCUBX-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@@H]1O)C1(B(O)O)CC1	2247871028	VADZKLOTWICEOR-HTQZYQBOSA-N	239.080	-0.587	50	10	BBGE	
Cc1cc(C(=O)N[C@@]2(C)C[C@@H]2C)oc1B(O)O	2247891519	YZQJHLQVMJUPRX-CPCISQLKSA-N	237.064	-0.204	50	10	BBGE	
CCOC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899301	MELQRFIUESIDHZ-FIORISEFSA-N	241.096	-0.077	50	10	BBGE	
Cc1ccc(NC(=O)C[C@@H](C)O)c(B(O)O)c1	2248441316	LDWCYOBHAMOWNQ-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(c1cocc1B(O)O)N(C1CC1)C1CC1	2249439800	KENQLUBQTFLBOJ-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
C=CCN(C[C@H]1CCC[C@H](C(=O)NN)O1)OC	2249506198	ZRFVGODHUPSGRS-NXEZZACHSA-N	243.307	-0.037	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2249559876	WTYNPDNMPGLLJT-JLIMGVALSA-N	241.335	-0.296	50	10	BBGE	
CC(C)(C)n1ccnc1CNC(=O)C#CB(O)O	2255475994	FJSNWMJKEHWDDL-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
Cc1ncccc1CCNC(=O)[C@H]1C[C@H]1B(O)O	2255561995	PBFHSRBQXZZINI-WDEREUQCSA-N	248.091	-0.088	50	10	BBGE	
Cc1ccnnc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2255567257	BQGUWKJKKFYJHI-DTWKUNHWSA-N	249.079	-0.394	50	10	BBGE	
Cc1cccnc1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2255569797	ZCMMZZZQBSIMDA-ZJUUUORDSA-N	248.091	-0.088	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCC2CC2)n1	2255726855	XVHGNLFZMJAGPL-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1ncco1	2263400659	FJRUSPVAQVLANX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@H]1CO[C@@H](C2CC2)C1)[C@H]1C[C@H]1B(O)O	2298368923	CARWGDFBGHYLKT-UTINFBMNSA-N	239.080	-0.467	50	10	BBGE	
N[C@H]1CCCC12CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369248	NYQHKZVOUBDGNV-VGMNWLOBSA-N	238.096	-0.811	50	10	BBGE	
CO[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371680	RQSUNXLAVZAUSM-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	2300040861	BAZJIERLXWMZKT-DTHBNOIPSA-N	241.335	-0.152	50	10	BBGE	
O=Cc1ccc(N2CC[C@@H]3C[C@@H]32)cc1B(O)O	2301422062	CTDVCFCSJWOADG-PELKAZGASA-N	231.060	-0.223	50	10	BBGE	
NCC1CC(Oc2cc(B(O)O)c(F)cn2)C1	2303861359	OZNDNOOXIGHONC-UHFFFAOYSA-N	240.043	-0.983	50	10	BBGE	
CCNC[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317153310	KNMKUXWCZHKWCA-SECBINFHSA-N	248.091	-0.385	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CC=CCO1	2317899510	WWFRYNMXNYTGQB-GFCCVEGCSA-N	248.091	-0.092	50	10	BBGE	
Cc1ccnc(COc2ncncc2B(O)O)c1	2320494309	XLKZFZQVEDHFGB-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CC(=O)N/N=C(\C)CN1C(=O)CCC1=O	59366323	QAZYXSBKIIMBEG-UXBLZVDNSA-N	211.221	-0.353	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccnc1	82467801	NAZKCNYNGUQAPH-MRVPVSSYSA-N	208.265	-0.108	50	10	BBGE	
C[C@@H](O)CN(C)CCCCC(=O)NN	82468173	ADEJZNDZMFHYFG-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CCO1	86597632	ZOQJPFXTZUQKFO-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1CC(C=O)=C2NC=C(C(=O)O)C(=O)N2C1	105637427	LIAFVEIOBJFAME-LURJTMIESA-N	236.227	-0.163	50	10	BBGE	
N[C@H](C[C@@H](Cl)S(=O)(=O)O)C(=O)O	118554308	SVVQYUQAAYWBGV-GBXIJSLDSA-N	217.630	-0.759	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)[C@@H]1COCCO1	137122500	PZHMBQYXKVEXEP-YUMQZZPRSA-N	237.683	-0.228	50	10	BBGE	
Cn1ccn(C[C@H](O)CCl)c(=O)c1=O	157833697	MBGASVCSUVLAPL-ZCFIWIBFSA-N	218.640	-0.853	50	10	BBGE	
CC1(C)CN(C(=O)NN)C[C@H](CO)O1	158687500	XLNQWLJFPZLULV-ZCFIWIBFSA-N	203.242	-0.959	50	10	BBGE	
COCOc1cc(B(O)O)ccc1OC	198098700	PFUWVWOUNDYJDP-UHFFFAOYSA-N	212.010	-0.642	50	10	BBGE	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)C(=O)NN	226212994	CAOCYJYHEJCWHL-GJMOJQLCSA-N	213.281	-0.083	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](NC(C)=O)C1	228341669	SRKQPROTECBWIF-UWVGGRQHSA-N	242.323	-0.645	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@](C)(OC)C1	230294412	IMCQENOTJJRYSQ-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CCCN(Cc2ccccc2B(O)O)C1	230335630	KSJCGGONRMLBQX-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
CCN(CCCN(C)C)CC(=O)NN	230740513	BZFDMIOZZHPQAU-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
O[C@@H]1CN(CCBr)C[C@H]1O	236541327	QTLDNPIAZCBCSA-PHDIDXHHSA-N	210.071	-0.581	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCOC1	251503971	HVWNUDCPGFTWIW-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCCC[C@H]1CO	253178261	RKFJUWDVPKKMMU-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	300046611	XRXCDEAWDMCCEC-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1O	306833006	PEZJSMHVFDYXSC-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CC[C@H](N=c1[nH]nc(CCl)o1)C(N)=O	379218328	IJKDXTCLKCRYSS-BYPYZUCNSA-N	218.644	-0.094	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1CC(=O)NN	382190815	WVYPNCJUDWRHHK-UHFFFAOYSA-N	206.205	-0.982	50	10	BBGE	
C[C@H](O)CN(C)Cc1nc(C(=O)NN)co1	386636975	HWBNQIWGKGXRLY-LURJTMIESA-N	228.252	-0.909	50	10	BBGE	
COC[C@H](C)N(C)Cc1nc(C(=O)NN)co1	386910850	CBUAXQDVTIOUAG-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CSC[C@H]1C	389653191	XJIPYPZGODGZJO-SVRRBLITSA-N	231.321	-0.505	50	10	BBGE	
CCC(CC)NNC(=O)[C@@H]1COCCN1	393749648	NHOCXOYBEXWGOT-VIFPVBQESA-N	215.297	-0.216	50	10	BBGE	
Nc1c(B(O)O)ccc2c(C=O)csc12	396272160	JNYGHLZNZPAABH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSCCCC(=O)NNC(N)=S	402174479	WPCTYWDGCGXXHX-UHFFFAOYSA-N	207.324	-0.006	50	10	BBGE	
CSCC(=O)Nc1ccc(C)cc1B(O)O	404994768	GRQQEZHNGFOIJX-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
CN(C[C@]12CCC[C@H]1OCC2)C(=O)C(=O)NN	687520164	VFRPRBNBAZINRW-LDYMZIIASA-N	241.291	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C(O)[C@@H](C)C1	688122544	RNRWSHPDDSSHHG-XHNCKOQMSA-N	229.324	-0.296	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@]12COC[C@H]1C2	689153163	GQULLQSRDTUPKT-PELKAZGASA-N	247.059	-0.659	50	10	BBGE	
Cc1cnccc1CCn1ccc(B(O)O)n1	694267023	BLRDAKINQZLUCY-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
C[C@@H](NC(=O)CCBr)[C@@H](O)CO	698877207	YFSYDIDCAOQFRZ-RITPCOANSA-N	240.097	-0.371	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@@H]1C1CC1	699065253	YYHKDHBEWIQRGE-NXEZZACHSA-N	246.075	-0.254	50	10	BBGE	
CCCO[C@H]1CCN(CC(=O)NN)C1	701697868	CMBZWWKYQBUWMF-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
Cn1cc(NS(=O)(=O)CCCl)nn1	701874115	YKULMYYDKBUNBP-UHFFFAOYSA-N	224.673	-0.204	50	10	BBGE	
CCOC(=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703438098	AGMZONYRLYCFGH-YUMQZZPRSA-N	241.243	-0.144	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]2C[C@@H]21	706928064	KIEKJSSTZACTDK-CABZTGNLSA-N	217.077	-0.039	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@H]3C[C@@H]32)c1	707089713	RRCSNYJGEFKIMQ-ZANVPECISA-N	247.103	-0.031	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](N)C2CCC2)CC1	709297644	HJVUZMDMPUGTAK-SNVBAGLBSA-N	237.303	-0.009	50	10	BBGE	
C=CCNCC(=O)N1CCC(O)(C#N)CC1	709390703	NNXVXCUHWUMMCN-UHFFFAOYSA-N	223.276	-0.361	50	10	BBGE	
ClC[C@@]1(NCCn2cnnn2)CCOC1	712537773	IYCOJROSZMANKU-QMMMGPOBSA-N	231.687	-0.339	50	10	BBGE	
CCC(CC)C(=O)NNC(=O)[C@@H]1COCCO1	744641038	HOXBYCLJEQLRIS-VIFPVBQESA-N	244.291	-0.015	50	10	BBGE	
O=C(Cn1ccnc1)NNc1ncc(F)cn1	762102667	UTVTUOPZWZJWEE-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
CN(C)CC(=O)NN=C1CCC[S@](=O)CC1	853302059	VZYAVUWIKCDIJB-INIZCTEOSA-N	245.348	-0.047	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCCN2C)n1C	856048855	PBMFEUJYGXPOJT-QMMMGPOBSA-N	238.295	-0.339	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCCNC1=O	869388826	JLBYYMIZICWRJG-VIFPVBQESA-N	248.286	-0.219	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C\c1ccncn1	910153586	CKOODDRPLUTRQP-ZBJFTSOASA-N	236.275	-0.166	50	10	BBGE	
CN(NC(=O)C(=O)NC1CC1)c1ccccn1	1348400842	UAENSAVBSCWISK-UHFFFAOYSA-N	234.259	-0.172	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCNC(=O)OC	1468052208	WBEGMCWAWAARTJ-FPLPWBNLSA-N	241.247	-0.097	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)c1ncccn1	1584132796	LQWHETOYXOAWIE-ZETCQYMHSA-N	238.247	-0.337	50	10	BBGE	
CC/C=C\CNC(=O)NNC(=O)c1ncon1	1681400441	HUDWPUAUPDVWKL-ARJAWSKDSA-N	239.235	-0.020	50	10	BBGE	
COC[C@H](NC[C@H]1C[C@@H]1Cl)C(N)=O	1883563695	MYICXSWDZFAVBR-VQVTYTSYSA-N	206.673	-0.296	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)C[C@H](O)CCl	1884852151	HVBYNRWYCMIJKG-IWSPIJDZSA-N	223.700	-0.068	50	10	BBGE	
C[C@H]1[C@H](O)CN1CCCCC(=O)NN	1885891012	ZGMOZZHXRDSRJT-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)NN)CC1=O	1887642174	OVDDRPVTPWQKRH-ZCFIWIBFSA-N	200.242	-0.878	50	10	BBGE	
CNCCOCCNC(=O)[C@H]1C[C@@H]1Cl	1893454178	UMHZVQJYGXGTCC-YUMQZZPRSA-N	220.700	-0.034	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]2C[C@@H]21	1894690511	XTVMIQAYQWTBKQ-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
C=C(CN(OC)[C@@H]1CCOC1)B(O)O	1895210832	AUAHRXDHXRUQGM-MRVPVSSYSA-N	201.031	-0.793	50	10	BBGE	
COC[C@@H]1C[C@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1895269765	QRVVTQHKUGNJFT-NTSWFWBYSA-N	243.698	-0.108	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C[C@H](C)C(=O)NN	1895668160	RAEWDRDSSUZHNR-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(=O)NCc1snnc1C1CC1	1899680746	QWFLJXLTXATCJK-UHFFFAOYSA-N	241.276	-0.978	50	10	BBGE	
O=C(NCCc1ncco1)[C@H]1C[C@H]1B(O)O	1900934989	DMJUYABRMYTHER-NKWVEPMBSA-N	224.025	-0.804	50	10	BBGE	
Cc1ccc(OC[C@H]2CCO2)c(B(O)O)c1	1901377670	RGPOHCJMDHNAGR-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(CCO)C1	1901763571	PHZBSQGMSFRJQR-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CCC(=O)N2)C1	1902513591	RVNYUOVNTHXSCJ-SCZZXKLOSA-N	226.085	-0.796	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ncc[nH]2)C1	1902523110	XBKVZXWAINAFLF-VIFPVBQESA-N	223.041	-0.511	50	10	BBGE	
CN1CCC(CN2CC[C@@H](B(O)O)C2)CC1	1902529769	QKCARUBPUULXCD-LLVKDONJSA-N	226.129	-0.123	50	10	BBGE	
CC[C@@](C)(CN1CCC12COC2)C(=O)NN	1902716656	VWESFCXJPLCBMS-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]1(Cl)CC1(F)F	1904922203	FJQDXDWZYISGNW-YFKPBYRVSA-N	227.598	-0.891	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1905643084	NIOGCIRVARFVIT-IMSYWVGJSA-N	238.287	-0.005	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCC[C@]2(CO)C1	1905773473	AQIHYJMEPWKTCY-CMPLNLGQSA-N	241.335	-0.149	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C1CC1	1908854408	QNBGSZFPYIHVBN-GMTAPVOTSA-N	241.335	-0.010	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)C[C@@H]1CF	1909260009	FKJFDJQOMIOQQE-IWSPIJDZSA-N	249.286	-0.950	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1OCC[C@H]1C	1909982274	FTGQMVJIYDKALP-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1ccoc1C(=O)NN	1914254902	KYHFDJZKXZGAFW-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CON1CCN(CCC(C)(C)C(=O)NN)CC1	1915712851	ICKRIGPBELBJCS-UHFFFAOYSA-N	244.339	-0.428	50	10	BBGE	
O=C(CO)NN=CC1CC2(C1)OCCO2	1923807968	MFLIWSHOZMAQTB-UHFFFAOYSA-N	214.221	-0.766	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(=O)N(C)[C@@H](C)C1	1926004710	KAFDERMCKMYQPV-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COC[C@H]1CO	1928737612	GSDGKMKDNPMBBB-RNFRBKRXSA-N	243.712	-0.848	50	10	BBGE	
O=C(NNCCO)c1cc(O)ccc1O	1929837016	SRXYYJCWGHQKEL-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
NC(=S)NNC(=O)C1CC2(CCOC2)C1	1931774180	RHFKQOXQFCTYBR-UHFFFAOYSA-N	229.305	-0.333	50	10	BBGE	
C[C@H]1CCO[C@H]1CO[C@H](C)C(=O)NN	1932229530	QNZSBTKTOBEJRF-RNJXMRFFSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CC1(F)F	1933032626	PFFATDHIUAFSCU-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1935286566	OCYDZBJRAFMGCU-KZVJFYERSA-N	213.281	-0.790	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094926	RKSHQOAWJZLIGC-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1CCCCO1	1936532639	INQDLQVXJRGYGU-VIFPVBQESA-N	232.280	-0.421	50	10	BBGE	
NNC(=O)C1(CN2CCN3CC[C@H]2C3)CC1	1938234121	UWEKIDICPFXHOM-VIFPVBQESA-N	224.308	-0.854	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(C2CC2)CC1	1941078999	NOPZMVMUECVVKU-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
CC(C)N1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941085330	CQYYRDGRJRRVOL-MNOVXSKESA-N	240.351	-0.362	50	10	BBGE	
CNC1CN(CC(=O)NNc2ccccn2)C1	1941723491	XNYHJLQOLVETIY-UHFFFAOYSA-N	235.291	-0.572	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@H](CO)[C@H]3C2)CC1	1945884806	WXOKFVXBQDSIRT-GUBZILKMSA-N	239.319	-0.683	50	10	BBGE	
[C-]#[N+][C@@H](C)[C@@H](CS(C)(=O)=O)NC(C)=O	1951437969	IMUWQZOULRVEKE-POYBYMJQSA-N	218.278	-0.157	50	10	BBGE	
COC(=O)[C@@H](Br)CN(C)CCN	1953568061	OPGRSDBZGYTVNO-LURJTMIESA-N	239.113	-0.187	50	10	BBGE	
CC[C@H](Cl)C(=O)NCc1nnn(C)n1	1955557744	HIISCRPLHNELIC-YFKPBYRVSA-N	217.660	-0.156	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)[C@@H]2C[C@H]21	1956634850	QRNSARNXDOWKOU-HTQZYQBOSA-N	238.740	-0.057	50	10	BBGE	
CCN(C)Cc1nn(C)cc1C(=O)NN	1961179475	WXGWYJKBLXXQKS-UHFFFAOYSA-N	211.269	-0.525	50	10	BBGE	
CCn1cccc1CN(C)CC(=O)NN	1961391988	STXNXNWOOIVISW-UHFFFAOYSA-N	210.281	-0.070	50	10	BBGE	
OB(O)c1csc(OC[C@H]2CCCO2)n1	1961694033	IJAFCZBTNXYVLL-ZCFIWIBFSA-N	229.066	-0.619	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2[C@H](C)C(=O)NN	1975083281	BJKHWRGJMJPIJT-BZNPZCIMSA-N	213.281	-0.526	50	10	BBGE	
C[C@H](CC(=O)NN)N=[S@@](C)(=O)N1CCCC1	1979783670	AIKZBTDZODCGQO-VPTHRUTESA-N	248.352	-0.137	50	10	BBGE	
CC[C@H]1CCN1c1nc(C)ncc1B(O)O	1981473442	YXQJDCQCKASINI-QMMMGPOBSA-N	221.069	-0.546	50	10	BBGE	
COC[C@H]1C[C@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1982137322	QRVVTQHKUGNJFT-PHDIDXHHSA-N	243.698	-0.108	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H]2C1=O	1984122444	VRBMLAYGLDNVEG-NTSWFWBYSA-N	233.218	-0.520	50	10	BBGE	
CO[C@@H]1C[C@@H]1N=c1[nH]c(CCCl)nc(=N)[nH]1	1987759631	GRPIDFBUNYYHNW-NTSWFWBYSA-N	243.698	-0.313	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(F)(F)C[C@H]1C	1990771938	DJSKOEONVXWBKZ-ZCFIWIBFSA-N	235.234	-0.117	50	10	BBGE	
COC[C@@H]1CCCN1CC(=O)NNC(C)=O	1990772212	HLBBAEBDAPAYJH-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
COC(C)(C)C(=O)N[C@@H]1CCC=C1B(O)O	1991330298	LMDYCAGUZZKVCO-MRVPVSSYSA-N	227.069	-0.372	50	10	BBGE	
Cn1nnc(CN)c1C(=O)NC[C@@H]1C[C@@H]1Cl	1991436567	ADNZRTWISDNBSS-WDSKDSINSA-N	243.698	-0.369	50	10	BBGE	
C=C(CN1CCc2c(ncn2C)C1)B(O)O	1992145329	KFKDKNADVVQRQY-UHFFFAOYSA-N	221.069	-0.654	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2COC[C@H]21	1992337631	JVUSTMBUDVIPEQ-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)cc1	1992836804	QDEZKBZRJPFYPO-UHFFFAOYSA-N	223.037	-0.392	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994020556	QTOUNKDTSLFMQZ-XFWSIPNHSA-N	227.308	-0.687	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1CC[C@H]1O	1994679226	JFMXAFRFGHNLPW-FNCVBFRFSA-N	225.244	-0.326	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(F)(CO)CC1	1995938119	SNFFCVFDQFHOKU-RKDXNWHRSA-N	245.298	-0.591	50	10	BBGE	
O=C1CN(C2CC(n3cncn3)C2)CC(=O)O1	1997418786	XITNLPZYDWTXLJ-UHFFFAOYSA-N	236.231	-0.633	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@]2(O)CCNC2)CC1	1998011619	NURMMKPQFDUGLC-LBPRGKRZSA-N	235.287	-0.217	50	10	BBGE	
CCn1ncnc1CN(C)C[C@@H](C)C(=O)NN	2002658333	QJTULURFRVUZLZ-MRVPVSSYSA-N	240.311	-0.644	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCn2cccc2C1	2004185001	OCPHYLVVZVSXNT-UHFFFAOYSA-N	244.245	-0.071	50	10	BBGE	
C[C@H]1CC[C@H](N(C)c2ncncc2B(O)O)C1	2004917486	WPLVOQBCNZUJJX-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CC[C@@H](C)N(c2ncncc2B(O)O)C1	2004921010	QFAYRAHZKOKGDC-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(OCCOC2CC2)ccc1B(O)O	2004925826	VZEYPMNYIZBBAQ-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@](O)(CN)C2)CC1	2009400341	MFCCXVBNSYUOKX-UMSPYCQHSA-N	235.287	-0.232	50	10	BBGE	
NNC(=O)CCCCCN1CC2(CC[C@@H]2O)C1	2009517968	OEDXZJGBBNUIPK-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ccc(B(O)O)cc1	2009675655	HWRBMUYHUKBYCV-QMMMGPOBSA-N	237.064	-0.270	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1CN2C	2013678028	UUYCHFISYSJYEP-DBIOUOCHSA-N	240.351	-0.221	50	10	BBGE	
COC(=O)NC[C@H]1CCN1CCCC(=O)NN	2014044009	BLRRMRSOGXJBGF-MRVPVSSYSA-N	244.295	-0.813	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC12CC(F)(F)C2	2021116031	SNXPSRHSGQLUGZ-SSDOTTSWSA-N	243.018	-0.447	50	10	BBGE	
C=C(CN1CC[C@H]2CCN(C)C[C@@H]2C1)B(O)O	2021158741	HTPNZTQYFJGQDS-VXGBXAGGSA-N	238.140	-0.172	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2ccnnc2)n1	2022099926	UFFQVTSZDVISGT-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CO[C@H]1C[C@H]1COCc1ccc(B(O)O)cc1	2022713617	ZUDQZFWHEHRSDK-JQWIXIFHSA-N	236.076	-0.082	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC[C@H]2C[C@H]21	2040236290	OJZFLGVNYHMVLQ-FXBDTBDDSA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1ccc(N2CC[C@]3(CCOC3)C2)nc1	2052465627	BRSGTLCAGGVDNV-LBPRGKRZSA-N	248.091	-0.622	50	10	BBGE	
OB(O)c1cccnc1N1CCn2cccc2C1	2052492922	WRGKTCIXMPAFJK-UHFFFAOYSA-N	243.075	-0.417	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cnc(C3CC3)n2)n1	2052601634	BFUJCDSMBDECCQ-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3CCC[C@H]32)n1	2052623291	HHIJSZAGONBYFW-VHSXEESVSA-N	247.107	-0.238	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CCC[C@H]3C2)n1	2052626879	YECLGFGYQBGSQW-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2ccnnc2)c1	2086140278	ZXEMPODKHPEISB-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(NNCCO)[C@@H]1OC[C@H]2CCCC[C@H]21	2210298211	ZQTYNVWIZUNLPO-OPRDCNLKSA-N	228.292	-0.195	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2210731782	SSZNUOANYFACCL-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](O)CN(C)CC1(C(=O)NN)CCCC1	2212444976	SKTNLYDUMOZYII-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C=CCN(CC=C)c1ccc(B(O)O)cn1	2212613327	UORGGONQAAUWAC-UHFFFAOYSA-N	218.065	-0.060	50	10	BBGE	
C[C@@H](CN1C[C@H](N(C)C)C(C)(C)C1)C(=O)NN	2215133554	OIBWJPSIZHUBHZ-UWVGGRQHSA-N	242.367	-0.116	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CCC2)C[C@@H]1O	2216494708	DQHKNSGGPAQLGZ-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@@H]2C)cc1B(O)O	2217182960	FATVUZLVEMGLBU-PSASIEDQSA-N	235.096	-0.768	50	10	BBGE	
CCOC1CN(c2nccc(B(O)O)c2F)C1	2217183349	HQTULFHXEUHGLR-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CCC1(O)CN(c2cc(B(O)O)c(C)cn2)C1	2217184832	WYKGUXBNIIOVMZ-UHFFFAOYSA-N	236.080	-0.969	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Oc1cc(B(O)O)ccn1	2217193255	LNUNELUFVLOCMO-ZJUUUORDSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@]23CC3(F)F)c1	2217200773	AZAMLWDOVAWWPI-IONNQARKSA-N	240.018	-0.029	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Nc1ncccc1B(O)O	2217200963	BQCZVKXUFYMMNC-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
C[C@H](CC1CNC1)Nc1ccc(B(O)O)cn1	2217203144	QHPYSOALPONJIL-MRVPVSSYSA-N	235.096	-0.829	50	10	BBGE	
CC1(C)[C@H]2C[C@H]1CN(c1ncc(B(O)O)cn1)C2	2221736235	FQMMCYFQHLAONK-IUCAKERBSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3NCC[C@H]32)nc1	2223634509	LKMCSMLPRQUPSB-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1Nc1ncccc1B(O)O	2223643175	SGRWCDNFZDEFSC-WCBMZHEXSA-N	249.123	-0.453	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1B(O)O	2223649638	ZYKJUTACBONAFJ-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
Cc1cnc(NC[C@H]2CCC[C@@H]2N)cc1B(O)O	2223653048	NPPNENUJTNIXII-KOLCDFICSA-N	249.123	-0.391	50	10	BBGE	
C[C@H]1CNC[C@@H]1CCNc1ncccc1B(O)O	2223669757	OCXPBLHTWDMOPG-UWVGGRQHSA-N	249.123	-0.581	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCNCC1	2243395798	BWQWNIFTELBLNA-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)C1(B(O)O)CC1	2243411566	WKBKXGCNGMEHOL-UHFFFAOYSA-N	229.085	-0.530	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]2CC[C@@H]21)B(O)O	2243412634	QJKKWCOAGIPLGE-BDAKNGLRSA-N	245.109	-0.631	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccnnc1	2243419981	KCSATOXUAFNWLH-YUMQZZPRSA-N	221.025	-0.698	50	10	BBGE	
CN(CC[S@@](C)=O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243419997	KKPJXDVODJOICU-MDZKRCCYSA-N	247.125	-0.924	50	10	BBGE	
C[C@@H](O)C1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243426277	GEVDYBYXUDEWEL-BWZBUEFSSA-N	227.069	-0.731	50	10	BBGE	
CC=CC(=O)NCc1cc(C)c(B(O)O)s1	2243662380	AHDUBQJOQJMDBC-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2243769546	VHOHFFLWLFFODM-DSYKOEDSSA-N	229.041	-0.924	50	10	BBGE	
CC(C)N(C)C(=O)c1ccc(F)cc1B(O)O	2247752296	MRUXKAKWBDZHHC-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
C#CCCCCNC(=O)c1occc1B(O)O	2247757282	QGKVYGOKYDXORJ-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)NCC#N	2247757502	JYRLMOJRYUDNSD-UHFFFAOYSA-N	235.052	-0.998	50	10	BBGE	
CCCCN(CC)C(=O)c1n[nH]cc1B(O)O	2247781615	MQBICNHMLSNZDW-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2=O)oc1B(O)O	2247788246	BURIZPPAXYNTRY-UHFFFAOYSA-N	237.020	-0.970	50	10	BBGE	
CCn1cncc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247790856	JYHHDRHEMIHJHT-RKDXNWHRSA-N	237.068	-0.618	50	10	BBGE	
NCC[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797889	ODUXUMZZCPQVQQ-GUBZILKMSA-N	240.112	-0.563	50	10	BBGE	
CC(C)C[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2247798728	WROXQYBDFFCJTA-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2247801243	YQSVKWWNHCLFHF-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1C[C@@H]1B(O)O	2247805659	KNONLKBGVBFAKH-XFWSIPNHSA-N	241.096	-0.483	50	10	BBGE	
C#CCN(C(=O)c1occc1B(O)O)C(C)C	2247877673	CYEBRJBNOVHYKZ-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247894841	LMLMYNIBAKVTSX-BQHMLIOBSA-N	239.080	-0.610	50	10	BBGE	
CN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897621	VJINPDOUCJDRAT-ZJUUUORDSA-N	234.064	-0.097	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247898471	DSLAYPGNQVDKKZ-KYZUINATSA-N	242.128	-0.304	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247899896	RDECJAYHUAPQDR-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
C=CC(=O)N1CCc2ccc(B(O)O)cc2C1	2248406931	DDKNTGAFVWIUOF-UHFFFAOYSA-N	231.060	-0.563	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248585186	HNYFLQPZUFUFRY-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1ccc(B(O)O)cn1	2248692480	NRJXHQLJPXPYPZ-SCZZXKLOSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1C(CNC(=O)c2cc(B(O)O)co2)[C@@H]1C	2249408604	RFKRRSAXLNKFFH-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
CC[C@H](CNC(=O)c1cc(B(O)O)co1)OC	2249410962	PBXKHZSSZRGMCS-MRVPVSSYSA-N	241.052	-0.886	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cc(B(O)O)co1	2249418193	PZWOOBPMUXADML-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
O=C(O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2250558545	IQZWZBNCWIOUCR-HTQZYQBOSA-N	241.052	-0.685	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250691019	GJVXWOFNLWTYPT-WCBMZHEXSA-N	238.096	-0.809	50	10	BBGE	
NNC(=O)C(=O)NCCCc1ccc(F)cc1	2250799284	KWOHCZQPCWEEKD-UHFFFAOYSA-N	239.250	-0.136	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2255466908	GEZNUCQOHGDHPQ-YUMQZZPRSA-N	248.047	-0.619	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(OC)c(B(O)O)c1	2255499487	AZZOOGFXVSIUPJ-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(F)ccc1B(O)O	2255499764	DRWAGAVQEMKFKI-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1cncc(B(O)O)c1	2255518962	QUGCTTYBLJGUHX-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1C[C@H]2CCC[C@H]1C2	2255550012	JMSUYDCZCAMMAH-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
Nc1cccc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2255568201	KEKCNCBHDMLRKW-QWRGUYRKSA-N	248.091	-0.210	50	10	BBGE	
C#CCC1(NC(=O)c2ccoc2B(O)O)CCC1	2255710357	JRCJSEPHFXKDSS-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1O[C@H]2C=C[C@H]1CC2	2255717819	PBSGMIGPELVIJM-YUMQZZPRSA-N	249.031	-0.566	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@H]2C1	2255719289	ISMIAPZYYRRYTO-IUCAKERBSA-N	248.091	-0.720	50	10	BBGE	
Cn1cc(C2CN(C(=O)[C@H]3C[C@H]3B(O)O)C2)cn1	2255765716	UDHZDVNTMRMKPK-VHSXEESVSA-N	249.079	-0.791	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)ccc1O	2256019096	WBIWQTVQRCQGPZ-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
C#CCCC(=O)N(C)Cc1ccccc1B(O)O	2256597798	KBBFYXATLIUMAU-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cc1C	2257491757	PUIQXORNQYUNTN-PSASIEDQSA-N	248.091	-0.402	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1N	2298369103	JALGCCALPBWEQK-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
O=C1C[C@@H](C(F)F)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374766	LSSVCFXIBVYXTA-HSUXUTPPSA-N	247.006	-0.511	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298375342	GLSJMQRVMAFHPA-SPFKKGSWSA-N	239.080	-0.515	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2298375775	ZFEOGKZHAOXQQW-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
O=Cc1ccc(N2CC3(CC3)C2)cc1B(O)O	2301420176	BBBBCOCJFPBEBS-UHFFFAOYSA-N	231.060	-0.221	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@@H]2O)cc1B(O)O	2301452963	OOPMZBPMINRLPF-QWRGUYRKSA-N	235.048	-0.886	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2302061182	QTGHNSRKHVXUMT-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2CCOCC(=O)NN	2302211030	KCHSJSAHNTZZTF-GUBZILKMSA-N	243.307	-0.898	50	10	BBGE	
CCC(C)(C)NC(=O)CN1CC[C@@H](B(O)O)C1	2303124461	RDITUMMMRVYMNO-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
C[C@H](N)[C@H](C)COc1cc(B(O)O)c(F)cn1	2303855545	NGIQPABCYGEGBT-RQJHMYQMSA-N	242.059	-0.737	50	10	BBGE	
Cc1cnc(OC[C@H]2[C@@H]3C[C@H]2CN3)cc1B(O)O	2312613521	JXVXQZUFZDLWFD-NGZCFLSTSA-N	248.091	-0.943	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317161608	DWUADWBRCPTPBB-RYUDHWBXSA-N	246.075	-0.173	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H](N)C1CC1	2317167638	JYGWCHIVKPGULW-LLVKDONJSA-N	245.091	-0.613	50	10	BBGE	
COC(=O)[C@H](C)NC(=O)NC(=O)CCl	49364818	RKXNAXWJIPSENQ-BYPYZUCNSA-N	222.628	-0.388	50	10	BBGE	
COC[C@H]1CCN(CCC(=O)NN)C1	81120971	ZSUKKUHPERITAC-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](CSc1nnc(N)n1C)C(=O)NN	82473353	IHPUCHGFQSNRAW-SCSAIBSYSA-N	230.297	-0.885	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)NC(=O)CCCl	82476171	CHYAIBFJBYZEDE-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)CCN	85346381	GKPCBUVWXRXKDY-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	86933504	SLNPJSCFLZCMMG-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
Cc1cc(Cn2ncccc2=O)oc1C(=O)NN	110601829	QRVFNLTZTMRISK-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](N)C2)cc1	113179065	HQUYTLIYMDQPFT-NSHDSACASA-N	234.303	-0.177	50	10	BBGE	
NNC(=O)c1occc1CN1C(=O)[C@@H]2C[C@H]2C1=O	113667895	SJLFMOCRKSCKEC-RNFRBKRXSA-N	249.226	-0.612	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@@H](C)Cl	130220427	VRZJGBFBXVWNBR-HTQZYQBOSA-N	248.710	-0.023	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C(C)(C)CO	134192256	IUKRGHFWYXFNDO-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
CO[Si](C[C@@H](CN)CCN)(OC)OC	195751145	HEXHLHNCJVXPNU-MRVPVSSYSA-N	222.361	-0.212	50	10	BBGE	
COc1ccc(-n2cc(B(O)O)cn2)cc1	203615550	MOMKHWVFVKSREC-UHFFFAOYSA-N	218.021	-0.439	50	10	BBGE	
COC(=O)[C@H]1CN(C(=O)CCl)C(=O)N1	204942677	IWFLJOUTFMQRAP-SCSAIBSYSA-N	220.612	-0.681	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCO1	212159839	GOWSTQAVNXLEBR-LLVKDONJSA-N	249.075	-0.425	50	10	BBGE	
OB(O)c1cc2c(N3CCOCC3)nccc2o1	221942039	XTZWMHKDPOHARH-UHFFFAOYSA-N	248.047	-0.656	50	10	BBGE	
O=C(CCBr)N1C[C@H](O)[C@H](O)C1	227260024	YTQKYMQCASWHFA-OLQVQODUSA-N	238.081	-0.665	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CNC(=O)C1	229035469	BYWDDYOEERHYIQ-PHDIDXHHSA-N	204.657	-0.134	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCOCC(N)=O	230042636	OWIPMBKSBSNEPK-LURJTMIESA-N	222.672	-0.521	50	10	BBGE	
CNC(=O)[C@H]1CCCN(CCCC(=O)NN)C1	232300817	HVDMNMOUDJCXLU-VIFPVBQESA-N	242.323	-0.786	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCCS(C)(=O)=O	234556946	CNAQDXPLIVMZSB-LURJTMIESA-N	243.712	-0.599	50	10	BBGE	
COC(=O)[C@H](Cl)CNS(=O)(=O)C1CC1	234578433	BVNHYENQSLCRRC-ZCFIWIBFSA-N	241.696	-0.151	50	10	BBGE	
C[C@@H](O)C1CCN(CC(=O)NN)CC1	235239787	BRULCUSIXCTIGR-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	252446539	WMZKFSYQBDIGKM-ZLUOBGJFSA-N	220.656	-0.939	50	10	BBGE	
OB(O)c1csc2c(O)c(O)ccc12	306963798	IDXCRRGWDQNHGW-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N=C=O	307058187	LWSYIJOZZUBNBD-HTQZYQBOSA-N	218.278	-0.008	50	10	BBGE	
O=[N+]([O-])c1nccc(B(O)O)c1Br	307269113	MJYLZQHMDQMWJX-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cncnc1N	309253463	FUCMHRKJABXTQK-UHFFFAOYSA-N	223.236	-0.524	50	10	BBGE	
CN(C)CCO[C@H]1CNNC(=O)[C@@H]1Cl	388683260	HUPOZHAWIPMTEB-NKWVEPMBSA-N	221.688	-0.825	50	10	BBGE	
O=C(O)C[C@H](SCCB(O)O)C(=O)O	393657529	KUCYSIUOHBXETP-BYPYZUCNSA-N	222.027	-0.880	50	10	BBGE	
CCC(=O)c1cc(B(O)O)cc(C(=O)O)c1	396133937	SIWYSSZJUHZBDQ-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
CCOCC(=O)Nc1ccc(B(O)O)cc1F	404998007	ZLTNGCZEPJYOPV-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
Cn1c(C(=O)NNC(N)=O)cnc1Cl	606286156	FBPHYXWLBCILAH-UHFFFAOYSA-N	217.616	-0.613	50	10	BBGE	
C#C[C@H](O)c1ccc(OC)c(B(O)O)c1	606302478	MYNDUSMFHBFTTC-VIFPVBQESA-N	206.006	-0.958	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)CC[C@H]1C	687214281	ZHPPZRIXPPKXLN-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@@H](C)C(=O)NN)C1	689046493	FHNFYSDIMXHPFZ-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCCC[C@@H]1C2	693536206	LTMOWDUGQZZAID-GMSGAONNSA-N	211.265	-0.327	50	10	BBGE	
COC[C@H](COc1ccccc1B(O)O)OC	694717853	RPZOWXKEAYPEIM-SECBINFHSA-N	240.064	-0.593	50	10	BBGE	
Cc1nnc(CN(C)CC(=O)NN)s1	697786386	DZVIXVWSPGKNKZ-UHFFFAOYSA-N	215.282	-0.732	50	10	BBGE	
C[C@H](NC(=O)c1ccco1)C(=O)NNC(N)=O	700887322	LFELTRJIPFHUSW-YFKPBYRVSA-N	240.219	-0.903	50	10	BBGE	
COC[C@]1(C(=O)NN(C)C)CCCCN1	701372495	OKAYPQGAOBFQPL-JTQLQIEISA-N	215.297	-0.262	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1COCCOC1	703440363	WYTHJRPDEZUUNS-RKDXNWHRSA-N	241.243	-0.682	50	10	BBGE	
CN(C)NC(=O)[C@H](C(=N)NO)C1CC1	704405335	LADVSDFTQRZXTJ-LURJTMIESA-N	200.242	-0.439	50	10	BBGE	
CC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	704946140	KRBNPYBXLVIPIA-DTWKUNHWSA-N	213.281	-0.524	50	10	BBGE	
NC(=S)NNC(=O)c1cccnc1O	706043750	DLJLTTISZYOWIU-UHFFFAOYSA-N	212.234	-0.735	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](C)C1	708124356	LUKPVORUVJMFAG-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@@H](N)C[C@@H]2C3)CC1	713227323	YOLSFTCBQNIKSN-GBIKHYSHSA-N	249.314	-0.009	50	10	BBGE	
C=C[C@H](C)NC(=O)NNC(=O)[C@@H]1COCCO1	756976299	YNQMWAROWQSNME-YUMQZZPRSA-N	243.263	-0.693	50	10	BBGE	
C[C@@H]1COC(=O)C1=NNC(=O)[C@@H]1COCCO1	794916118	XREDFNFDZQESIU-RQJHMYQMSA-N	242.231	-0.933	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843970145	BPBABVTTZXLGSP-XHNCKOQMSA-N	244.291	-0.280	50	10	BBGE	
CNC(=S)N(C)NC(=O)Cn1cncc1C	861961666	ZGPNLCODTLKPFC-UHFFFAOYSA-N	241.320	-0.341	50	10	BBGE	
O=C(CO)NNC(=O)c1cncc2[nH]ccc12	1183078438	NSBPZKPQCRCSOF-UHFFFAOYSA-N	234.215	-0.684	50	10	BBGE	
C=C(C)CNC(=O)NNC(=O)c1cn(C)nn1	1261640249	AOYLGOXHCHFRKV-UHFFFAOYSA-N	238.251	-0.665	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCOC[C@@H]1C	1343782969	LMFXXSHZQFUYKB-XPUUQOCRSA-N	200.238	-0.174	50	10	BBGE	
Cn1cc(C(=O)NN=c2cc[nH]cc2)ccc1=O	1556154383	ACCSJWFAGQFCHY-UHFFFAOYSA-N	244.254	-0.041	50	10	BBGE	
NCCNC(=O)[C@@H]1C[C@@H]1Br	1877410668	ATFZUINKXOEFFP-UHNVWZDZSA-N	207.071	-0.155	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NN)C1COC1	1880023368	KUKVDOBNARNEQP-SSDOTTSWSA-N	245.279	-0.484	50	10	BBGE	
NC(=O)NNC(=O)C1CC(Br)C1	1881349491	RCCCHWLYMRQEKO-UHFFFAOYSA-N	236.069	-0.141	50	10	BBGE	
NC[C@H](OCC1CC(Cl)C1)C(N)=O	1883635095	RXUMRFMTGJYXOU-AHXFUIDQSA-N	206.673	-0.167	50	10	BBGE	
CNCCN(C)C(=O)/C=C/C(=O)Cl	1883649788	WAGOISMIGRYPLB-ONEGZZNKSA-N	204.657	-0.014	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNNCC1	1893406692	ZTNHDPKCBDQKTA-UHFFFAOYSA-N	217.656	-0.756	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@@H](O)C2)nc1	1902670476	REIPFJNMDQEODZ-DTWKUNHWSA-N	222.053	-0.913	50	10	BBGE	
CC[C@](C)(CN1C[C@H](C)[C@H](O)C1)C(=O)NN	1902720120	MLKQTPYKEARSLH-IQJOONFLSA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@H](C)CCC(=O)NN	1907703680	DSVGJOZSVFWZSK-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2[C@H]3COC[C@H]2C3)C1	1910353761	JSTRDTUARUWQKG-LNFKQOIKSA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1910674722	ZDGIZKHDBPHBTH-RNJXMRFFSA-N	243.068	-0.679	50	10	BBGE	
CCn1ccnc1CN(C)[C@@H](C)C(=O)NN	1913378899	ZAXHWVJDRLMLNF-QMMMGPOBSA-N	225.296	-0.287	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(O)CCC1	1914572042	RXZYHLMVHHHWSR-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1CC(O)C1	1914575548	QOMTWQDLPCRINO-DKATWDMPSA-N	215.297	-0.544	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)C1CC(O)C1	1914576867	WUWQAOJQNOBNLL-UHFFFAOYSA-N	239.275	-0.162	50	10	BBGE	
CCCN(C1COC1)[C@H](COC)C(=O)NN	1915660653	QBDXXUOAYYZJRE-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1927866494	KIGHEBRYOGOISK-CSMHCCOUSA-N	219.260	-0.840	50	10	BBGE	
C[C@H](CC(=O)O)CC(=O)NNCCO	1929835222	OTXVWXQBSWWECW-LURJTMIESA-N	204.226	-0.900	50	10	BBGE	
CC[C@@H](COC)O[C@@H](COC)C(=O)NN	1931008430	SIHRIUACAVBMSF-YUMQZZPRSA-N	220.269	-0.567	50	10	BBGE	
C[C@@]1(CCl)CN([C@H]2CNC(=O)C2)C1=O	1931734568	DRBNGIHJHHAFRH-HZGVNTEJSA-N	216.668	-0.038	50	10	BBGE	
C[C@]1(CCl)CN(CCNC(N)=O)C1=O	1931734722	GXFRHBCWNUPBNW-QMMMGPOBSA-N	219.672	-0.258	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC[C@@H]1CCl	1933141185	QFLHPNIVGJGEBA-SSDOTTSWSA-N	237.708	-0.129	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1938361186	HGWMDOYHUFVPLH-JGVFFNPUSA-N	230.312	-0.659	50	10	BBGE	
CO[C@H]1CN(C)C[C@@H]1NC(=O)NC(=O)CCl	1938601269	RSJHMEPIQKZGIK-BQBZGAKWSA-N	249.698	-0.620	50	10	BBGE	
CN(C)[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941082375	GHZPFQJRWCDDPP-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
COC[C@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941095690	ZVIRBQMFHZRCCG-HOSYDEDBSA-N	241.335	-0.029	50	10	BBGE	
COc1cc(C[C@@H](O)C#N)c(OC)nn1	1952224523	IIQBJUQNYVFKMR-SSDOTTSWSA-N	209.205	-0.079	50	10	BBGE	
CN1CCN(CCBr)C[C@@H]1CO	1953618638	UFFODOZBNKQPET-MRVPVSSYSA-N	237.141	-0.010	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H]2C[C@@]2(O)C1	1954019941	WIFPHBWGVWKVLU-NKWVEPMBSA-N	225.697	-0.031	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@@H]1CO	1954216452	WTPXELVUNNTIBK-JGVFFNPUSA-N	203.673	-0.617	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCBr)C[C@H]12	1954820931	PAZDXACBMAZMGL-WDSKDSINSA-N	247.092	-0.414	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCC1(F)F	1958710875	CALLCQWZRMCHOO-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
CN(C)C[C@@H]1C[C@H](O)CN1C[C@H](O)CCl	1960160448	XSBUNNNPQNWTBY-LPEHRKFASA-N	236.743	-0.417	50	10	BBGE	
C[C@@H]1c2cccn2CCN1CC(=O)NN	1961382695	YCLMUUVQIDHPRC-MRVPVSSYSA-N	208.265	-0.145	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ccc(B(O)O)cn1	1961776086	AZMZQNAVIWKFTG-VXNVDRBHSA-N	206.054	-0.394	50	10	BBGE	
CSCC[C@@H](O)C(=O)N1CC[C@@H](B(O)O)C1	1972404110	WXQPUPBJRHUJNA-HTQZYQBOSA-N	247.125	-0.824	50	10	BBGE	
CC(C)(CN1C[C@H]2OCC[C@@H]2C1)C(=O)NN	1981241896	IDNLHGQLSAVOPT-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ccc(B(O)O)cn1	1981429941	JNHNJMLNMPGYNE-APPZFPTMSA-N	223.037	-0.825	50	10	BBGE	
CO[C@H]1CNCC[C@H]1NC(=O)/C=C/C(=O)Cl	1991705996	LBZVTUDJMQMZQX-TZIBCRCASA-N	246.694	-0.199	50	10	BBGE	
C=C(CN1CCO[C@H](C(F)(F)F)C1)B(O)O	1992144925	GRFIMIYYGXLQLZ-ZETCQYMHSA-N	239.002	-0.182	50	10	BBGE	
CC1(COc2cccc(B(O)O)c2)COC1	1992278938	WSZLCFJAZWKUSM-UHFFFAOYSA-N	222.049	-0.218	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1992719303	IZRJSOQVNVCSER-WBBBMGQGSA-N	245.706	-0.044	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC12CC(CO)C2	1997988086	UAJPDYKPOYIGAE-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)C2(CCC2)C1	2000815999	YWFQTBLPEZBVSV-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)[C@@H](C)C1	2000981690	WXIGVHDKDJFRFE-WCBMZHEXSA-N	243.307	-0.896	50	10	BBGE	
COC1(CN(C)c2ccc(B(O)O)cn2)CC1	2004918088	HHRAFKCEIRXDTE-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CCN(CC(C)C)c1nc(C)ncc1B(O)O	2005014761	QDWSFTGGMHMUQW-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H](F)C2)c(F)c1	2005018049	NUNPCXKJIPADEI-QMMMGPOBSA-N	242.034	-0.161	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]([C@H](C)O)C1	2005913202	PFGFMDSOPKNCAK-LPEHRKFASA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1ncn(C)n1	2008806557	AEVGKUVCZHIQGZ-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1[C@H](C)CC(=O)NN	2010570459	PODRHCQVPVTDQR-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
C[C@@]12CC[C@@](Cn3ccc(B(O)O)n3)(C1)OC2	2018190773	KLDVDVVUYVFKLG-MNOVXSKESA-N	236.080	-0.478	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@H]3C[C@@H]32)nc1	2026059406	ICEBIJPCAZJJGX-UJNFCWOMSA-N	234.064	-0.276	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1(C)COC1	2026728261	GGIZSPFRXQCEDC-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
OB(O)c1ccc(OCc2cccnn2)cc1F	2029099363	DNYNNUKLTMPBGF-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@@H]3C2=O)cn1	2056637147	NQKYGTHRYRKXOB-IUCAKERBSA-N	246.270	-0.337	50	10	BBGE	
N#Cc1c(B(O)O)ccc(OC(F)F)c1C=O	2060268432	OBVKEERAKXWQBU-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc2ccccc2[nH]1	2077483161	NJJOCYSYEZVADY-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)c1ncnc(C)c1B(O)O	2079404551	MKBAQLGAXBVQJY-NXEZZACHSA-N	249.123	-0.053	50	10	BBGE	
C=C=CCC(=O)NCCc1ccc(B(O)O)cc1	2084679073	NYERJHQICGBPDH-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)N1CC[C@H](B(O)O)C1	2208731525	HLRNOGIABARYCY-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)C[C@@]1(Cl)C(=O)NCB(O)O	2209335006	QLBPNBXSKXPMTH-SSDOTTSWSA-N	205.450	-0.478	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@H]2C[C@@H]21	2211141856	YLDRBQDWYUKLDV-XVKPBYJWSA-N	238.121	-0.193	50	10	BBGE	
CC#C[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2212603082	CAWBSQCJRKJPFN-SECBINFHSA-N	219.049	-0.140	50	10	BBGE	
CN(CC1CSC1)c1cc(B(O)O)ccn1	2212604653	YGHWHKQLUZDUES-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215773005	RILQSPRQBSLFTH-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@@H]2COC[C@H]12	2217172202	HZCHXWZFQRISSO-PSVAKVPMSA-N	234.064	-0.934	50	10	BBGE	
Cc1cnc(NC(C)(C)[C@@H](C)O)cc1B(O)O	2217182299	BTISRNASYLVXAQ-MRVPVSSYSA-N	238.096	-0.359	50	10	BBGE	
CC[C@@H](O)CCN=c1cc(B(O)O)c(C)c[nH]1	2217183932	LOUVXAHBMORYFG-SECBINFHSA-N	238.096	-0.935	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H](C)CO)cc1B(O)O	2217184011	PQYZBVYTJBXPIL-DTWKUNHWSA-N	238.096	-0.501	50	10	BBGE	
CC(C)[C@H](CCN)Oc1ccc(B(O)O)cn1	2217189328	BRJBTKWXSUFEOU-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CO[C@@H](CNc1ccc(B(O)O)cn1)C(C)C	2217200301	JJJHHDBKEIYCQC-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
CCc1nn(C)cc1Nc1cc(B(O)O)ccn1	2223628078	OSSKPPONXHKFGL-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](C#N)C2)cc1B(O)O	2223639190	BJCVZXLGUIYELU-JTQLQIEISA-N	245.091	-0.190	50	10	BBGE	
CN(CC(F)F)C(=O)c1csc(B(O)O)c1	2243350218	XPDRZGTZQFATKX-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)o1	2243356447	IAXOPFNVKHIVGL-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363564	IXICMTPXWVVPND-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390997	FCFGJEFNWRDOLM-XSPKLOCKSA-N	227.069	-0.467	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397254	XYHXPXGILCYGCP-XKSSXDPKSA-N	227.069	-0.777	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NC[C@H](C)F	2243420116	MXZLPBVCCZBTKP-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
Cn1cc(Cl)c(C(=O)NCC=CB(O)O)n1	2243685559	WZZSWOCBSPXTHO-UHFFFAOYSA-N	243.459	-0.629	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@@H](C)CF)n1	2244150028	VSXSYCXVABROSX-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]2C1	2244220988	BTHBAKUZWVXUGC-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]1(C2CC2)CCCOC1	2247744421	SJDPKFNVBFRYNW-NSHDSACASA-N	237.064	-0.923	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)C#CB(O)O)CC1	2247747710	RIMUCQQEWXPDSP-LLVKDONJSA-N	239.080	-0.581	50	10	BBGE	
CCN(CC)C(=O)c1c(F)cccc1B(O)O	2247751810	CJACIEVITOONSV-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
CCCONC(=O)c1cc(C)cc(B(O)O)c1	2247751915	FDQMAMRTRKPGCK-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CCC2)CCCNC1	2247753344	FVSRTNJYLOBLEV-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
CN1CCC[C@@H](N(C)C(=O)C2(B(O)O)CC2)C1	2247753508	HXABAKMQKXWHNS-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(N1CCOCC12CCC2)C1(B(O)O)CC1	2247759042	YGVYEVANINDPLC-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
CN(CC(F)F)C(=O)c1ncccc1B(O)O	2247772266	SHCPCSNSBZIDOU-UHFFFAOYSA-N	244.006	-0.902	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247784784	AKXCXMGLKWTFJD-KXUCPTDWSA-N	243.112	-0.285	50	10	BBGE	
COC(=O)C[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786901	IHGZGKJRUCHYPC-PRJMDXOYSA-N	243.068	-0.693	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247787541	QJQUAUHNOFBPJR-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C#CCC[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247792465	SRWWBPPGRZYEQN-GUBZILKMSA-N	239.080	-0.870	50	10	BBGE	
NC[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247792734	USYKEVMFDBMHMX-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
CN(CC1=CCCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247796547	APQWSDBWNMGNOY-VHSXEESVSA-N	239.080	-0.346	50	10	BBGE	
O=C(NCCCN1CC=CC1)[C@H]1C[C@@H]1B(O)O	2247796860	DLTIRCQEHYGXBV-UWVGGRQHSA-N	238.096	-0.773	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247803670	CHMMVPGBZOIIII-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)CNCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247805009	ADJHRXNJHHJOQJ-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@H]1C2)C1CC(B(O)O)C1	2247807184	HMFLZLDDPKXEJZ-RDCBJUDBSA-N	238.096	-0.894	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=C(F)CC1	2247847158	SFLQXUDPUHUWMH-UHFFFAOYSA-N	238.027	-0.606	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1coc(B(O)O)c1	2247870375	IXABMPBUSDCVDG-CNUIFLNQSA-N	235.048	-0.512	50	10	BBGE	
CN(CCCF)C(=O)c1cc(B(O)O)cn1C	2247875545	XVDFQPUXNCJWFC-UHFFFAOYSA-N	242.059	-0.864	50	10	BBGE	
O=C(NC[C@]12COC[C@H](C1)C2)[C@H]1C[C@H]1B(O)O	2247887672	QNINOOUEMMISFS-WYOJIJJFSA-N	239.080	-0.608	50	10	BBGE	
C=C(F)CNC(=O)c1nccc(C)c1B(O)O	2247890223	IURGIQZNYLJHOV-UHFFFAOYSA-N	238.027	-0.717	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894103	CIKYGOZKXCVQJU-RXKWGBCNSA-N	238.096	-0.955	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCOCC1	2247897694	WCTPQNLNVNCSQY-IUCAKERBSA-N	241.096	-0.218	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2251311899	ZDKDTCUAALXSCY-YUMQZZPRSA-N	241.052	-0.828	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3occc3B(O)O)C[C@@H]21	2255478085	HOKFQFJIVJIGLT-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ncncc1B(O)O	2255504831	NIBZCJPMPIVMRV-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)cn2C)CC1	2255507982	GVETURDXWWNGLW-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(B(O)O)c(F)c1	2255513794	XWEAGWICDRWHDV-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C=CCC1	2255515507	YVKYPHDBQCODBG-SNVBAGLBSA-N	248.091	-0.364	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC=CCCC1	2255518776	OPTITKOXGPFNEF-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ncncc2B(O)O)C1	2255520412	KFXRLXFUFYDVLX-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)c[nH]1	2255671748	WKQJRGPEXCDWFH-QPUJVOFHSA-N	248.091	-0.291	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccc(B(O)O)cn1)C2	2255719381	FUCXEXWTITXEBF-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1B(O)O	2298369906	IQPZZXRFDYHZON-CHHOWFRJSA-N	238.096	-0.813	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2CNC[C@@H]21	2298371278	GCPZSLUMSYPLEY-KATARQTJSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@@H](B(O)O)C1	2303102906	BIYVFCWMCIUBQA-XFWSIPNHSA-N	239.080	-0.371	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)NN	2303411248	UAOVOZLUWKIIFH-XNDJQWLSSA-N	241.335	-0.437	50	10	BBGE	
COc1ccc(CO)cc1O[C@@H](C)C(=O)NN	2304557249	JKUFNSCKMYTEFG-ZETCQYMHSA-N	240.259	-0.055	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1B(O)O	2312612328	QOVYIUSRWWCKFW-XNDJQWLSSA-N	244.103	-0.086	50	10	BBGE	
NC[C@@H]1C[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317311853	WMAWEFCIXIXWOE-VHSXEESVSA-N	248.091	-0.814	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@H](O)C2)cc1B(O)O	2317348244	KWPGZFPZIFGYMV-JLIMDTESSA-N	249.075	-0.638	50	10	BBGE	
COCCS(=O)(=O)N1CCC[C@@H]1N=C=O	42809590	SNBBYWGXEZJFEM-MRVPVSSYSA-N	234.277	-0.280	50	10	BBGE	
Cc1ncsc1C(=O)NNC(N)=O	69606599	GMXBLAGPSFLKSM-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
CCCN(CCC(=O)NN)CC(=O)N(C)C	82470893	MICUITWCTDHASW-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
O=C(CBr)N1CC[C@H](O)C1	82511152	IZSAXHPAZLENAP-YFKPBYRVSA-N	208.055	-0.026	50	10	BBGE	
NNC(=O)c1cccc(CN2CCNC(=O)C2)c1	110569963	AMIMVFHBNPVKPC-UHFFFAOYSA-N	248.286	-0.778	50	10	BBGE	
C[C@H]1CC(=O)N(Cc2cc(C(=O)NN)no2)C1	110603381	YZECXKGXANJCAQ-LURJTMIESA-N	238.247	-0.354	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C(C)(C)CO	134190042	VJHRORSMMKBHKI-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
CCOC(=O)/C=C(/N)NNC(=O)CC	138625340	WEGZCHLXCGVFRD-WAYWQWQTSA-N	201.226	-0.620	50	10	BBGE	
COC(=O)[C@H](Br)CC(N)=O	146320081	YEJKZSWLIFRIEW-GSVOUGTGSA-N	210.027	-0.202	50	10	BBGE	
COC(=O)C1CCN(S(=O)(=O)N=C=O)CC1	157700061	MDWSAHPSJUFJCG-UHFFFAOYSA-N	248.260	-0.548	50	10	BBGE	
OB(O)c1nnc(-c2ccccc2)s1	197105861	YMVIBEZYSINHNU-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
Cc1nccn1Cc1ccccc1B(O)O	203170449	IZIJXBNZXSBJSS-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
OB(O)c1cnn(-c2cncc(C3CC3)c2)c1	203615235	ALGQUDQEKCXAHX-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](O)COC	219256277	NIGXFXKNOWICCG-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](C)C1	229489057	UMOPINCQEPDIFS-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
CC(C)(C)OC(=O)[C@@H](N)CCC(=O)NN	238094307	YVWQBHPJASRZLG-LURJTMIESA-N	217.269	-0.575	50	10	BBGE	
O=c1[nH]c2cc(Cl)ccc2cc1B(O)O	238643098	GPTQNJTWNIZNAP-UHFFFAOYSA-N	223.424	-0.139	50	10	BBGE	
N#C[C@@]1(O)CCn2cnc([N+](=O)[O-])c2C1	259839284	MMMFQFHAOPBDJN-MRVPVSSYSA-N	208.177	-0.008	50	10	BBGE	
C=C(C)CNC(=O)NNC(=O)[C@@H]1COCCO1	275049566	VFYONNREWDCPGG-QMMMGPOBSA-N	243.263	-0.692	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OC)C1	300044210	ADPATOJDGUAJRZ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)N1CCC[C@@](O)(CO)C1	306379388	URSWCIDGXYODTA-QMMMGPOBSA-N	207.657	-0.429	50	10	BBGE	
CCc1nc(CNC(=O)C(=O)NN)cs1	328216913	KHLWGFLQWSYTOS-UHFFFAOYSA-N	228.277	-0.688	50	10	BBGE	
C[C@@H](O)CN(CCO)C(=O)[C@@H](C)Cl	379365638	JMODWJVFJPEOQI-RNFRBKRXSA-N	209.673	-0.185	50	10	BBGE	
C[C@@H]1OCCN([C@@H](C)CC(=O)NN)[C@H]1C	380338641	KATYCIZUUSRLGE-CIUDSAMLSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](N=c1[nH]c(CCl)nc(=N)[nH]1)[C@@H](C)CO	381063062	LVNONOHPEWSZRU-WDSKDSINSA-N	245.714	-0.126	50	10	BBGE	
OB(O)c1cnc(-c2nnc(C3CC3)s2)nc1	382564423	AYXMNLXUJKKAOM-UHFFFAOYSA-N	248.076	-0.448	50	10	BBGE	
Nc1cc(B(O)O)c2c(C=O)csc2c1	396274512	MJACPSVCYDSZOL-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@@H](O)CC[C@H]2C1	398892256	ZVAGEDVAUUOAHX-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)s1	405005318	OTCSJXFHYHZNHR-RFZPGFLSSA-N	226.066	-0.583	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(CC(=O)NN)C1	688957738	IFRVXXQNCKAWQS-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](COCCN)N1CCC(O)(C#N)CC1	692136814	SWYNZGNKOKUPMD-SNVBAGLBSA-N	227.308	-0.299	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H]1CCN(C)C1	693439477	UHROMMBRTYQYBB-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
O=C(NCB(O)O)c1cc(Cl)ccc1O	702029957	LDJLAWNUHXTNPD-UHFFFAOYSA-N	229.428	-0.213	50	10	BBGE	
CC(C)C(=O)N1CCc2cccc(B(O)O)c21	712181993	LCWAEXKINCTCAU-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
O=C(COCC(F)F)NNC(=O)c1cn[nH]c1	862467711	ZJEAIXIGVYCAOJ-UHFFFAOYSA-N	248.189	-0.548	50	10	BBGE	
O=C(CO)NNC(=O)c1c[nH]c2nccc-2c1	1161080219	FKXZROVFHPCKRB-UHFFFAOYSA-N	234.215	-0.732	50	10	BBGE	
Cc1cccc(O)c1C(=O)NNC(=O)CO	1183078006	ASJYPLPFSSXYNO-UHFFFAOYSA-N	224.216	-0.546	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2ncn(C)c2n1	1440714243	NAQHQPZCJKVFBJ-UHFFFAOYSA-N	233.231	-0.251	50	10	BBGE	
Cc1cccnc1NNC(=O)c1nnn(C)n1	1466889209	VMSPZCVRFJREOR-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cnc(O)n1C	1542404502	LGCSXQTZPOMZGM-UHFFFAOYSA-N	241.251	-0.520	50	10	BBGE	
Cc1nnc(C(=O)NNC(=O)N(C)C)s1	1625913075	WPKHWIDDMFHAFL-UHFFFAOYSA-N	229.265	-0.237	50	10	BBGE	
COCCN(C)NC(=O)[C@H](C)CC(=O)OC	1627337551	VUGOAPZXLQMXBF-MRVPVSSYSA-N	232.280	-0.205	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)c2ncccn2)C1	1639382964	DZPCHWJIELYKQZ-UHFFFAOYSA-N	234.215	-0.783	50	10	BBGE	
NCCCS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883567969	SNZJKXFIUVBYSL-RQJHMYQMSA-N	226.729	-0.118	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@H]1C	1885871588	GTNXHQZINKCUFJ-BWZBUEFSSA-N	201.270	-0.934	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(N)cs1	1888935088	ZSVKHYBVXXPICL-UHFFFAOYSA-N	235.290	-0.340	50	10	BBGE	
N[C@H](CS(=O)(=O)C[C@H]1C[C@H]1Cl)C(=O)O	1893120771	YKHXZPVOBYEBHX-HSUXUTPPSA-N	241.696	-0.560	50	10	BBGE	
O=C(NCC[C@H](O)CO)C1CC(Cl)C1	1893475099	PQQOAVOQETZUFJ-RRQHEKLDSA-N	221.684	-0.137	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CO[C@@H]2COC[C@H]12	1894434852	PWBIPAQAHCKKJO-FSDSQADBSA-N	248.666	-0.535	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1C[C@H]1CO	1895223118	PGNWNXVBSAILKY-BZNPZCIMSA-N	225.244	-0.469	50	10	BBGE	
COC[C@@H]1CCN([C@H](C)CC(=O)NN)C1=O	1896918771	UQYZJSALGLSOHT-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
COC1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	1900506076	JOICYWFXQZJHPS-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@]12CC[C@H]2N)S(C)(=O)=O	1901375575	NSSOUWDAHZNPNV-OOZYFLPDSA-N	247.320	-0.964	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([S@](C)=O)C1	1901766703	YRLQWUVFTZDNEX-PWJLMRLQSA-N	247.364	-0.402	50	10	BBGE	
Cc1nc(CN2CC[C@@H](B(O)O)C2)nn1C	1902511019	DMWGVIUQLGBCAI-MRVPVSSYSA-N	224.073	-0.828	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	1904371313	UFAIRRJPHKLCTN-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@@H]3C[C@@H]32)c1	1907004723	KQKJSZYTVVFFEN-VHSXEESVSA-N	237.259	-0.144	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1909181811	RRTZGTVLGHZKJO-VPOLOUISSA-N	241.335	-0.173	50	10	BBGE	
CCn1ccnc1CN(C)C[C@@H](C)C(=O)NN	1913366816	KYYUGRCAOHVXCO-SECBINFHSA-N	239.323	-0.039	50	10	BBGE	
COC[C@@H](N=S1(=O)CCCCC1)C(=O)NN	1913852726	GEVWDXBMTCNLJK-MRVPVSSYSA-N	249.336	-0.357	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@H]1C	1914256669	RKWISQXIXQLCKB-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)C(F)(F)F)O1	1923406668	MACRTGULKIWZHH-GSVOUGTGSA-N	240.137	-0.598	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@@H]1COC[C@@H]1N	1930129901	GCPMWDASCFQCQQ-NKWVEPMBSA-N	217.269	-0.258	50	10	BBGE	
O=C1C[C@@H](n2cnnc2CCl)C(=O)N1	1932174161	NYLCMWQFMQZFCG-SCSAIBSYSA-N	214.612	-0.396	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)[C@@H](C)C(=O)NN	1935545993	HJYIFNRWYQOPOO-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936093950	IZMNEFXQUGOTBK-OPRDCNLKSA-N	227.308	-0.419	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@H]3C[C@H]3C2)O1	1936482887	HBYHGKNTXMGMOT-QCLAVDOMSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937460680	JMJQUERGZSHYRC-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
CCN(CCCC(=O)O)CC(=O)NNC(C)=O	1940779803	KCYFPANRHGMEJD-UHFFFAOYSA-N	245.279	-0.660	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)[C@@H](C2CC2)C1	1943083698	PDLZQQOKYPSOAD-GWOFURMSSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H]2CO)n1	1944081160	XWJTZHORCYZMIP-VIFPVBQESA-N	236.275	-0.748	50	10	BBGE	
CCC1(F)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	1944760510	PIRBQTOTQDGPFB-IUCAKERBSA-N	245.298	-0.042	50	10	BBGE	
CNC(=O)N1CCc2cccc(B(O)O)c2C1	1944856785	GCSTYUCEKKEUFS-UHFFFAOYSA-N	234.064	-0.936	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](O)(C(C)C)C1	1945550230	YLEURFJXWPBAMM-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C)C(=O)N1CC[C@H](B(O)O)C1	1951321794	HEZPLWHTGKLVGF-YUMQZZPRSA-N	215.058	-0.656	50	10	BBGE	
NNC(=O)C(=O)NCC1(Br)CC1	1953401717	QTCYTSYXSHUQFF-UHFFFAOYSA-N	236.069	-0.980	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CCC(=O)NC1=O	1958794760	RXAXBBSGCXZYDY-NTSWFWBYSA-N	232.667	-0.075	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1CN(C)C	1958805287	QUZJZKSOSFVZAH-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@H](C)C(=O)NN	1959806471	OZPQNDJBSJUFEI-APPZFPTMSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CN1CCCO[C@@H]2CCC[C@@H]21	1961267688	FHRICMYSBITHBG-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
O=c1nc(CN=c2[nH]nc(CCl)o2)[nH]o1	1961718470	PEHALDCSOQPNOT-UHFFFAOYSA-N	231.599	-0.481	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@]2(CNC(=O)N2)C1	1974906921	AGYOFBDPLGHKHU-HZGVNTEJSA-N	231.683	-0.102	50	10	BBGE	
CC(C)(F)Cn1cccc(B(O)O)c1=O	1975100484	FDGVNWTWXGENNG-UHFFFAOYSA-N	213.017	-0.724	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975302548	FWZDFMOTEITSCR-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@H](C1)C2O	1979918589	MPOIELNBOHJSSY-SLHIUPAKSA-N	227.308	-0.541	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC12COC2	1981143328	JWTBVTXVUAFQRN-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2OCC[C@@H]2C1	1981242358	LWRGEJCOZYBVFI-ZYUZMQFOSA-N	225.292	-0.667	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC1(C)C	1981414842	WUPLDYUYNGWMRA-QMMMGPOBSA-N	221.069	-0.609	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981544109	WDDCGECPPDZOTK-CAWYRIKXSA-N	227.308	-0.542	50	10	BBGE	
CO[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	1982346585	XQOOLUHPZKYQQY-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CNC(=O)CSC[C@H]1CC[C@@H](C(=O)NN)C1	1985357429	PEPPNYLYZQCGRY-JGVFFNPUSA-N	245.348	-0.128	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]1CF	1986085377	VMZWIOJAXBIMHS-JTQLQIEISA-N	223.056	-0.090	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C1CC1	1987391781	QFQJKYBCFGZKPY-BBBLOLIVSA-N	227.308	-0.400	50	10	BBGE	
C[C@]1(Cn2ccc(B(O)O)n2)CCCOC1	1989797415	GMWOJTYYOLTVJJ-SNVBAGLBSA-N	224.069	-0.620	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12C[C@](C)(CO1)C2	1990323773	IQAMYPTYBVUMNN-PHIMTYICSA-N	227.308	-0.133	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc(O)c1	1991327548	QYCYUQXTIXYLKC-UHFFFAOYSA-N	221.021	-0.310	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C(=O)/C=C/C(=O)Cl	1991703172	DIIFFMSZZDXVAN-ZJELKQJVSA-N	248.710	-0.311	50	10	BBGE	
Cn1cc(CCNC(=O)/C=C/C(=O)Cl)nn1	1991715657	XLDIQGGYNQKVPQ-NSCUHMNNSA-N	242.666	-0.205	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@@H]1COC2)C(=O)NN	1992316891	UBSRZKOUNUBOBL-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COC[C@@H]21	1992328930	QFDQFODBDFQYSS-KYXWUPHJSA-N	225.292	-0.667	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]21	1993441108	UVKBKTJKKZWTKA-NBDWIFLDSA-N	242.662	-0.502	50	10	BBGE	
NNC(=O)C12COC(CN3CC(F)C3)(C1)C2	1993891439	QRSRFGGWGNAQPP-UHFFFAOYSA-N	229.255	-0.821	50	10	BBGE	
COC[C@]12CN(C[C@H](C)C(=O)NN)C[C@]1(C)C2	2001040136	MSMYJUBKEJHXEL-DLOVCJGASA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CN1CC[C@H]2CN(C)CC[C@H]21)C(=O)NN	2004170503	ORCCUVQWBQOKMH-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCCO1	2004393672	MUSXVSOCAGTHJC-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
CC1(C)CCCCN1c1ncncc1B(O)O	2004911529	IDNHINBMKHSNNQ-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
OB(O)c1cccnc1N(C1CC1)C1COC1	2004933448	HQIOOTHWECAZFH-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN(C)C1COC1	2005234773	KLDROIHVAXXCKI-VIFPVBQESA-N	244.339	-0.983	50	10	BBGE	
CCN(CC)[C@H](C)CO[C@@H](COC)C(=O)NN	2007004862	GIPQHVIZXGZUEA-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1COC2CC1C2	2011811832	AFENCXXLYOSCCD-KAVNDROISA-N	249.261	-0.279	50	10	BBGE	
CO[C@H]1C[C@H]1COc1ccc(B(O)O)c(F)c1	2014605657	RZOGVIRNKWWOKH-CPCISQLKSA-N	240.039	-0.081	50	10	BBGE	
CN1C[C@@H](N(C)CC(C)(C)C(=O)NN)CC1=O	2014822569	BZBGOKDYTLSZAE-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
CC[C@H](COC)C(=O)N[C@H]1CCC=C1B(O)O	2020055674	DEOALGCFEDSBEB-SCZZXKLOSA-N	241.096	-0.124	50	10	BBGE	
C=C(CN(Cc1ccnn1C)C1CC1)B(O)O	2021162093	BIKGUOCEHTYHPA-UHFFFAOYSA-N	235.096	-0.047	50	10	BBGE	
CN1CC(COCc2ccccc2B(O)O)C1	2022711594	HKCFVZJBCDKXDE-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1Cc2cncnc2C1	2025622360	SREUKSZZLKRVEC-CBAPKCEASA-N	233.275	-0.582	50	10	BBGE	
OB(O)c1cncc(OCCc2cccnn2)c1	2029678510	IJBVEGLODGYIPE-UHFFFAOYSA-N	245.047	-0.827	50	10	BBGE	
Cc1cc(N2CCN(C)[C@@H](C)C2)ncc1B(O)O	2052472165	JXUPJTHGCHLLEK-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1B(O)O	2052553800	MDANDUHRDATGOO-RGOKHQFPSA-N	245.091	-0.691	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070856430	YOPIQYQTEZIPHF-MWRVJPDDSA-N	245.091	-0.753	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2COCC[C@@H]21	2073044462	WYVKANPGXXQCQV-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	2079515004	LKVFQYRHWQFPSA-BDAKNGLRSA-N	248.091	-0.008	50	10	BBGE	
OB(O)c1cnc(OCC2(F)CC2)c(F)c1	2211057164	CIXSAIDKADPLLI-UHFFFAOYSA-N	228.991	-0.219	50	10	BBGE	
CCC1(O)CN(Cc2cccc(B(O)O)c2)C1	2214598367	GHLZMJLCWPWARC-UHFFFAOYSA-N	235.092	-0.677	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	2214995128	SKLHEISVYCBOJP-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN(CCCO)C1CC1	2215770924	FDTMZJGSPXCSHC-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CC1(C(=O)NN)CCCC1	2216881580	LXVARXSPWNCHLE-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12COC[C@H]1C2	2217176757	AAJKMDBFJMEXPK-KCJUWKMLSA-N	234.064	-0.790	50	10	BBGE	
NCCC1(Oc2cc(B(O)O)ccn2)CCC1	2217189855	JOHWNRSHXLMNRW-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2cc(B(O)O)ccn2)O1	2217198518	CBDNCXXXEXRJIZ-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
CN(Cc1ccoc1)c1cc(B(O)O)ccn1	2217202591	XUNFKQBFINKCLV-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2N1Cc1cccc(B(O)O)c1	2220065386	ZETWRAYATYXONO-NWDGAFQWSA-N	245.087	-0.123	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2NCC[C@H]12	2223667246	QZZGMBVRSSLIIH-IQJOONFLSA-N	247.107	-0.829	50	10	BBGE	
O=c1c(F)cncn1Cc1ccccc1B(O)O	2223790716	BNMBSLPPYHYASF-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CSC1	2241495829	NDYWOZCPJJDXSH-BQBZGAKWSA-N	215.083	-0.577	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H](C1)[C@H]2O	2241834333	XHATYXVBHMUCHG-RNLVFQAGSA-N	239.724	-0.132	50	10	BBGE	
NC[C@H](O)C(=O)NN(C1CCC1)C1CCC1	2243274269	GVHGPRHZBBOJNB-JTQLQIEISA-N	227.308	-0.256	50	10	BBGE	
CCCCN(O)C(=O)c1nscc1B(O)O	2243347796	QBAIJFDKXGQBDE-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1nc(C)sc1B(O)O	2243359458	UBMTXHCWKUBQHQ-RXMQYKEDSA-N	240.093	-0.564	50	10	BBGE	
C=CCN(CC)C(=O)c1occc1B(O)O	2243363504	HTZHMCQPZKQZQT-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CCC1(CNC(=O)C2(B(O)O)CC2)COC1	2243366143	XXMPEIIIJUQVSN-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC2CC1C2	2243378597	WGHRMGZJGWOROA-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397092	VLHFKCKIJAKNJD-XHNCKOQMSA-N	229.085	-0.628	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2243403749	CAZWCLMZFOTCEN-MDVIFZSFSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCO1	2243409458	IHEPSYANPBNMQP-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2243410398	AXZNXSLWTADHIV-RNFRBKRXSA-N	223.037	-0.612	50	10	BBGE	
CC#CCNC(=O)c1scc(B(O)O)c1C	2243413252	CHPBNHANECGIOP-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
OB(O)c1csc(CO[C@@H]2C=CCOC2)c1	2244069282	VGCKKNISWBYYAU-SECBINFHSA-N	240.089	-0.101	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1C=CCOC1	2244128596	WHSSFPFPUQDIAD-QMMMGPOBSA-N	221.021	-0.905	50	10	BBGE	
CC1CN(C(=O)Nc2cccc(B(O)O)c2)C1	2246779872	JXCLAQUHQAMDGO-UHFFFAOYSA-N	234.064	-0.150	50	10	BBGE	
Cc1cccc([C@H](C)NC(=O)C#CB(O)O)n1	2247746670	BVBHGDZTZYWFSD-VIFPVBQESA-N	232.048	-0.417	50	10	BBGE	
CCC=C1CN(C(=O)c2occc2B(O)O)C1	2247756045	LUJGXNYVZQMCLH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H](CO)CC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247800963	VLLWDEJXLSJEIM-SFGNSQDASA-N	241.096	-0.674	50	10	BBGE	
CN(Cc1ccc(O)cc1)C(=O)C#CB(O)O	2247848829	QXFHWOFESBGTOS-UHFFFAOYSA-N	233.032	-0.634	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CCC2)CCCN1	2247853432	MFOGIIZKWCZZBF-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
C=CCN(CC)C(=O)c1ccncc1B(O)O	2247855645	VQJFXCKZGMZUQW-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
COC[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247877135	CHNQEIHRDPWJDK-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CC1(CO)CCN(C(=O)C2(B(O)O)CC2)CC1	2247878934	QKAKGLXZGMROMS-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)[C@H]1C[C@@H]1B(O)O	2247887141	KSKXUQZHUYHIFT-SOYHJAILSA-N	238.096	-0.752	50	10	BBGE	
CO[C@H](C1CC1)[C@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247898071	ACTDSKPXRAJGLY-ZQNVIIHSSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2(CCO2)CC1	2247899051	KBRUCOOQPPEMNO-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
O=C(NC1CC(CCO)C1)C1CC(B(O)O)C1	2247910213	NJSTVLBCUKNOSJ-UHFFFAOYSA-N	241.096	-0.483	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC=CC1	2247980477	VXXATIQEZMWTEN-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
CC(C)N(CCC(=O)O)C(=O)C1(B(O)O)CC1	2248586030	UOXHSRURODIXPK-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1cocc1B(O)O	2249418618	WMMQYERTXGXOTF-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1cc(B(O)O)co1	2249419710	KOYSDDYWNWFCAM-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H](C)C(F)F)n1	2249479989	WMUHQPOAYLYINQ-RXMQYKEDSA-N	246.022	-0.194	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2251031819	YEWUXASDFURURV-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1cc(B(O)O)n[nH]1	2255546459	FXEYWAJFMDCZGV-YUMQZZPRSA-N	249.079	-0.992	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cccc(F)c1B(O)O	2255725043	UBSKUPIESXESRF-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)c1ccc(CN)cc1	2255772064	ZXORWCNSTMWAFE-GHMZBOCLSA-N	248.091	-0.029	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)Nc1ncc[nH]1	2255890077	LFSLIZFHKXDMTE-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2298208567	JQCAORLDKPURHF-UXCLJVHYSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)[C@@H]1C[C@@H]1N	2298224566	OMVDECFIEPRACR-CHKWXVPMSA-N	240.043	-0.985	50	10	BBGE	
NC[C@]1(F)C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369101	IZOLPNHHNNQCHC-UICFKRDXSA-N	244.075	-0.815	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298377427	QJGXRJIIWUYDSM-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302402563	YTNVOBIBONPIQL-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
CCCCNC(=O)CN1CC[C@](C)(B(O)O)C1	2303097964	SJVJFWQBDJHCAC-NSHDSACASA-N	242.128	-0.159	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]1[C@H](O)C2	2306284190	TWHXQVPTBDAXEO-QUARPLMYSA-N	239.319	-0.542	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1c[nH]nc1B(O)O	2312849818	WKMMLBRDMYQYBO-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
OB(O)c1cccnc1OC[C@@]12CC[C@@H](C1)NC2	2315132453	BKPMRLILWVGFHQ-CABZTGNLSA-N	248.091	-0.718	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@@H]1CN	2317160402	CYIJYXFKIYZAEQ-SCZZXKLOSA-N	245.091	-0.755	50	10	BBGE	
O=C(c1ccn(C2CC2)n1)N1CC[C@@H](B(O)O)C1	2319672771	VLVXOALYBPOULE-MRVPVSSYSA-N	249.079	-0.093	50	10	BBGE	
N[C@H](CO)CSSC[C@H](N)CO	5131954	GMYWIQKRNIZTOF-PHDIDXHHSA-N	212.340	-0.993	50	10	BBGE	
CN(CC(=O)O)CC(=O)NNc1ccccn1	35305255	AAGBHQNBXJPQGM-UHFFFAOYSA-N	238.247	-0.459	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN	37388537	FGIYAEVMISGHEL-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
O=C(NNC(=O)[C@@H]1COCCO1)C1CC=CC1	73984565	SUFBVUQIFAQJFS-VIFPVBQESA-N	240.259	-0.485	50	10	BBGE	
C[C@H](O)CN(C)Cc1cc(C(=O)NN)co1	82468164	JMAISNANZLAPPW-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)NN	82472905	DBJICHYLXCYCCY-SCSAIBSYSA-N	242.308	-0.498	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)C(C)(C)C1	82485351	RCVREOWNSZKWIL-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC(=O)[C@@H]1C	85086994	RJRPFPKQOJUHMN-WHFBIAKZSA-N	218.640	-0.513	50	10	BBGE	
CC1(C)[C@H]2C(=O)N(CCCC(=O)NN)C(=O)[C@H]21	85417285	AYRNBDHNABHBOO-OCAPTIKFSA-N	239.275	-0.603	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)CBr)C1=O	115261085	TUWBCUFSANITJF-BYPYZUCNSA-N	249.064	-0.745	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)c(C)nn1	132678555	KRDNPHLSGJOEAP-UHFFFAOYSA-N	225.277	-0.429	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCOC1)C(=O)NN	134791297	ZENDWYHNQXXTRT-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2CCCC[C@H]21	134831176	LLWGTMWLYFHISQ-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
O=C1NS(=O)(=O)[C@@H](Cl)[C@H]1Cl	138429619	XEBQKSJHNWDZHD-JCYAYHJZSA-N	204.034	-0.382	50	10	BBGE	
CN(C)NC(=O)N(C)[C@H]1COC[C@H]1C(=O)O	149055147	XJXSMQVBOGRXOQ-RQJHMYQMSA-N	231.252	-0.796	50	10	BBGE	
O=C1O[C@H]([C@H](O)CBr)C(O)=C1O	169551080	LKVQNCTVFJZFIV-DUZGATOHSA-N	239.021	-0.005	50	10	BBGE	
COC(OC)c1c(F)cccc1B(O)O	170001250	DYSXQLURXQTPJV-UHFFFAOYSA-N	214.001	-0.203	50	10	BBGE	
Nc1ncc(C(=O)NNC(=O)CO)cc1Cl	182750716	KZOHNJOFWWZCIH-UHFFFAOYSA-N	244.638	-0.930	50	10	BBGE	
OB(O)c1cncc(OCCCn2ccnc2)c1	203524322	GPEVLBKVPDVRLS-UHFFFAOYSA-N	247.063	-0.573	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2)C[C@@H](C)N1	203631150	DGNKLJFGFIGSLE-NXEZZACHSA-N	234.108	-0.447	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](N)C1	216481445	QTVOFWCKOBVMFU-JGVFFNPUSA-N	200.286	-0.822	50	10	BBGE	
C[C@@H]1COCCN1C[C@@H]1CC[C@@H](C(=O)NN)O1	223075789	MFPXGIXGVREATI-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
COC[C@@H](Oc1cccc(CO)c1)C(=O)NN	232418362	KGZGREQCKPSDGY-SNVBAGLBSA-N	240.259	-0.437	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCSC1=O	238337081	JJHUVPQTRPDQAB-RXMQYKEDSA-N	203.267	-0.206	50	10	BBGE	
OB(O)c1cnc2nc(Cl)ccc2c1	238656669	GUGZYLYPMZZPSM-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
O=CNCCCNC(=S)NCCCl	242684211	CVMMSKKVPLDDFX-UHFFFAOYSA-N	223.729	-0.175	50	10	BBGE	
NNc1ccc(B(O)O)cc1Br	306659643	PHZNIGJAZDUAQU-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
Nc1ccc2sc(O)c(B(O)O)c2c1	306908421	OBMGUAHHTRYTAK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](O)CC1	307377258	WOTAHNQVYLHKAH-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CC(C)CNC(=O)NNS(C)(=O)=O	308132386	BTZZEXBCDPXLDZ-UHFFFAOYSA-N	209.271	-0.594	50	10	BBGE	
OB(O)c1cc2c(cc1CCCl)OCO2	308967722	NMLQUGMDTTUUHU-UHFFFAOYSA-N	228.440	-0.124	50	10	BBGE	
CCOC(=O)/C(C#N)=C\Nc1nc(=N)[nH][nH]1	380997817	NCWVEAZGZVMDKJ-PLNGDYQASA-N	222.208	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSCC[C@@H]1C	385752893	PNLMYLXACNTEMB-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
COC(=O)CN(C)C[C@@H](Cl)C(=O)OC	388754100	YEPZQAAQSXOKFU-ZCFIWIBFSA-N	223.656	-0.128	50	10	BBGE	
C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC(=O)CCl	392869544	JOYHKTXNCJYYDG-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H](CO)C1	395811546	LAVGILVZTCVLRY-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
COC(=O)c1cc(CCC#N)ccc1B(O)O	396140382	VXTDEXNBKQDEQV-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](C)[C@@H]1C	399577078	QLLPNERCVJWMMM-QCLAVDOMSA-N	229.324	-0.032	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)[C@H](C)CO1	403782875	ACJAHIRVWGUXNK-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
CON[N+](=O)[C@@H](Br)C(=O)N(C)C	585087273	IXHJYLFSKOPHNE-SCSAIBSYSA-N	241.065	-0.360	50	10	BBGE	
COC[C@@](C)(CO)N(C)C[C@H](O)CCl	689313867	DNBKLKKIPHOXLZ-RKDXNWHRSA-N	225.716	-0.085	50	10	BBGE	
Cc1ncc(CN(C)[C@H](C)C(=O)NN)n1C	689550605	BDUOSZKGNWIZQV-SSDOTTSWSA-N	225.296	-0.461	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](C#N)C1	693907914	QQXUBFZQZXPZTC-DTWKUNHWSA-N	226.280	-0.773	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nnnn1C	697710835	WYIVIRUICHJLGN-RXMQYKEDSA-N	233.659	-0.920	50	10	BBGE	
NC(=O)NNC(=O)C#Cc1ccccc1	700876853	MMXDEMIYNOYNMV-UHFFFAOYSA-N	203.201	-0.262	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CC1(F)F	701966403	SYLPSPVJHDRVNJ-BYPYZUCNSA-N	207.180	-0.862	50	10	BBGE	
COCC(COC)N(C)CCCCC(=O)NN	702035120	BPJUOCXHSXPOOC-UHFFFAOYSA-N	247.339	-0.260	50	10	BBGE	
CCN(Cc1nn[nH]n1)S(=O)(=O)CCl	707587704	OFPXATMQPRKNEV-UHFFFAOYSA-N	239.688	-0.452	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCC[C@H]1O	708052440	XOXHSEIXHWHOAT-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCC[C@H]1O	708052462	YCDCXXMRSHZNNC-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
COC(=O)N1Cc2cccc(B(O)O)c2C1	713272171	XSFPXZSAURLBIN-UHFFFAOYSA-N	221.021	-0.552	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@H]2C[C@@H]2C1=O	715552952	WUOLDAILIMMUJN-APPZFPTMSA-N	246.270	-0.337	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNc1nc(N)nc(CCl)n1	717375970	KWJAXVGXJQECBH-UHNVWZDZSA-N	247.686	-0.654	50	10	BBGE	
C[C@H]1CCN([C@@H](C)CC(=O)NN)CCO1	720474926	PFDFTEMKAAECAK-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](CCl)NCC1CS(=O)(=O)C1	722772529	XBKOOLFPLGJRID-QMMMGPOBSA-N	241.740	-0.126	50	10	BBGE	
CCOCC(C)=NNC(=O)[C@@H]1COCCO1	745213014	NKHMTCQJZLQHFQ-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846386663	OPCHRAFLGAJSTA-WCTZXXKLSA-N	228.248	-0.918	50	10	BBGE	
O=C(CCF)NNC(=O)N1CCOCC1	900426451	AUPYUKBWRLYCKG-UHFFFAOYSA-N	219.216	-0.581	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cnc2n1CCC2	1116706470	ZBQQWTWSEHQZEE-UHFFFAOYSA-N	244.276	-0.841	50	10	BBGE	
C[C@@H](O)c1ncc(C(=O)NN(C)C(N)=O)s1	1137623456	FQDSQNMHVBDORZ-SCSAIBSYSA-N	244.276	-0.148	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2ncc[nH]2)n[nH]1	1163241784	MBHALECRUIKMMO-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
COC(=O)Cn1cnc(NC(=O)CCl)n1	1320465229	FEBDMUQAUUCAGJ-UHFFFAOYSA-N	232.627	-0.372	50	10	BBGE	
C/C=C/C=C/C(=O)NNC(=O)c1cn(C)nn1	1532340059	BSXILDRVRFQZEP-VNKDHWASSA-N	235.247	-0.292	50	10	BBGE	
N#Cc1ccc(C(=O)NNc2nc[nH]n2)cn1	1648831951	RXBKYOWMWWYXIG-UHFFFAOYSA-N	229.203	-0.172	50	10	BBGE	
CC(=O)N[C@@H](CBr)C(=O)O	1880031584	SSQPZYLFJBCHII-BYPYZUCNSA-N	210.027	-0.029	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)NC(=O)CCl	1882821847	CGKXNPMVNUYEOK-UHNVWZDZSA-N	206.629	-0.162	50	10	BBGE	
NCC1(O)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1883638426	GCALIELTZGFVHH-PHDIDXHHSA-N	204.657	-0.854	50	10	BBGE	
C[C@](N)(CO)CNC(=O)[C@@H]1C[C@H]1Cl	1883638950	JKQFNXSEDAFRDY-ATRFCDNQSA-N	206.673	-0.560	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCNNCC1	1883645558	PWNBYIHUEGUFMW-BQBZGAKWSA-N	203.673	-0.450	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC(=O)N[C@@H]2C1	1884553573	JVHSYQUSLOZWLB-JKUQZMGJSA-N	218.640	-0.067	50	10	BBGE	
Cc1ncn(C)c1C(=O)NNC(N)=S	1887657764	PZYPGQLZBKLFLH-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
CCOCCN1CC[C@@](C)(B(O)O)C1	1891492705	PKRNKDKBJAVJLN-SECBINFHSA-N	201.075	-0.038	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](F)[C@H](C(=O)O)C1	1893948611	AEJGJEHZLSYBEU-PHDIDXHHSA-N	219.216	-0.473	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cnc(O)c([N+](=O)[O-])c1	1894483544	CIUYETQVBDRAHI-NKWVEPMBSA-N	224.176	-0.420	50	10	BBGE	
C[C@H]1C[C@@H]1COc1nc(B(O)O)cs1	1898713423	OFTAUJABTXJORW-NTSWFWBYSA-N	213.067	-0.142	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cnsc1B(O)O	1900451159	MAXXXSCLEVCNMZ-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
C#C[C@H](C)Nc1ccc(C=O)c(B(O)O)c1	1901237039	DNGURZOKXUZAKL-QMMMGPOBSA-N	217.033	-0.388	50	10	BBGE	
C[C@@H]1CCN1c1ccc(C=O)c(B(O)O)c1	1901237868	PSIDYXLJGIIHCF-MRVPVSSYSA-N	219.049	-0.223	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CC2(F)F)ncc1F	1903022736	FKBWBXKRORBVIV-ZCFIWIBFSA-N	232.954	-0.313	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1905889114	HNDFXLIKNQEFMV-VPOLOUISSA-N	238.335	-0.752	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@@H]2CCCO[C@H]21	1909495873	IXRIHYARTIBZSY-QXFUBDJGSA-N	213.281	-0.667	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@](C)(O)C1	1909661965	RQRHOJNDFOYLJT-LDYMZIIASA-N	243.307	-0.754	50	10	BBGE	
CC(C)(C)[S@@](C)(=O)=NCC(=O)NN	1913881153	WRFMWCVHHAWODY-CYBMUJFWSA-N	207.299	-0.127	50	10	BBGE	
CON1CCN(S(=O)(=O)CCl)CC1	1915572046	XRCYJEBALFXQFU-UHFFFAOYSA-N	228.701	-0.309	50	10	BBGE	
O=C(NCCF)NNC(=O)C(F)(F)F	1923404189	NJISZNSBHZGEQD-UHFFFAOYSA-N	217.122	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)OCC(F)(F)F	1928707576	ZVZXLRXKBIJFQA-BYPYZUCNSA-N	215.175	-0.210	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2nncn2C)C1	1928753429	QFNWNACCJQZNHT-YUMQZZPRSA-N	229.715	-0.174	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1935286564	OCYDZBJRAFMGCU-JBDRJPRFSA-N	213.281	-0.790	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@@H](C)C1	1936675197	DEMJEACKCYPMQI-ZETCQYMHSA-N	227.264	-0.935	50	10	BBGE	
NNC(=O)C1(CN(CCO)CC2CC2)CC1	1938230330	HJBZICQIWCLUHA-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)C[C@H]1C(F)(F)F	1938502752	ZQBBKSMHBOOZMY-RFZPGFLSSA-N	239.197	-0.367	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H]2COC[C@H]21	1940891085	JNPQJXIBKJOHKJ-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
CC1(C)CC[C@H](O)CN1CCOCC(=O)NN	1950222232	CUBLQRGBLPJHFG-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@H]2CN)CC1	1951191319	HKITTZMAMMWRTE-UWVGGRQHSA-N	237.303	-0.152	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)[C@H](O)CCl	1951634321	DLOALPZSEVJCSX-NTSWFWBYSA-N	216.686	-0.618	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC1CS(=O)(=O)C1	1954240124	SBFOQGCHNKRVDB-RXMQYKEDSA-N	225.697	-0.083	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@H]1Cn2cnnc2CN1	1955167178	HJXYPWJRLHLPAD-RITPCOANSA-N	214.656	-0.054	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(O)(C(N)=O)C1	1957308372	VRXNKNRDIQYPKF-RXMQYKEDSA-N	220.656	-0.938	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@@]2(O)C1	1961407562	VUQHILFAMZETBS-PSASIEDQSA-N	213.281	-0.787	50	10	BBGE	
COC[C@@H](C)Oc1ccncc1B(O)O	1961712864	PEUNCERVDIWLRH-SSDOTTSWSA-N	211.026	-0.825	50	10	BBGE	
CCN([C@@H]1CCSC1)[C@H](COC)C(=O)NN	1980768027	LDNAUDGDBVQPFA-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
NNC(=O)C(=O)N1CCCO[C@H]2CCC[C@@H]21	1980773299	UXLISRREGXSPJE-YUMQZZPRSA-N	227.264	-0.854	50	10	BBGE	
CC(C)[C@@H]1CCN1c1ccncc1B(O)O	1981410130	WDBJZPGGIRDYDJ-JTQLQIEISA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnc(OC2CC=CC2)c(F)c1	1981424133	ONGYNAVUVMKRSI-UHFFFAOYSA-N	223.012	-0.002	50	10	BBGE	
OB(O)c1cnccc1OCCOC1CC1	1981430234	MPUPFFZBLAPDEV-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccncc2B(O)O)CO1	1981430537	PEUCDDYGCMHBLD-YUMQZZPRSA-N	223.037	-0.682	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1OCC[C@@H]1F	1984338514	VIDXRNUCOZIQRZ-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	1990325936	WCJPIWLYNFNQCQ-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
O=S(=O)(N[C@@H]1CCC=C1B(O)O)C1CCC1	1991328170	DCDMESLCGIZQQL-SECBINFHSA-N	245.109	-0.441	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1COCC1(F)F	1991600454	ASNHYYJITZVSPL-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCCOCC2)c1	1995179880	KNCCEZOGRSXEHU-VIFPVBQESA-N	224.069	-0.620	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOCCOCC1	1997203969	WRGBJCMPGBQXAW-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CCC[C@@H](COC)N(C)[C@H](COC)C(=O)NN	2001424120	APIJGKNGCAJZQL-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]2CC[C@H]21	2002915169	JOKYLKMZCDWRQS-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCn1cncn1	2003835588	SHOJZDGHJIWBJQ-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	2004190940	LJEJQACZFWUGSY-VDDIYKPWSA-N	241.335	-0.152	50	10	BBGE	
COCCCN(C)c1cc(C)c(B(O)O)cn1	2004918757	PLVCTKWNVXJHQD-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)nc1	2011373679	QBEASXWGEGFPJC-XVKPBYJWSA-N	236.275	-0.750	50	10	BBGE	
CO[C@@H]1CC[C@@H](Oc2cncc(B(O)O)c2)C1	2013957229	HKFMLJMJSSSBMK-NXEZZACHSA-N	237.064	-0.292	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2)C(=O)NN	2016210123	YDAMXUIFTLPLMJ-MBGOZMDMSA-N	245.298	-0.452	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COc1cccc(C(N)=O)c1	2028045824	SIESDJHFSJYREF-WCBMZHEXSA-N	249.270	-0.210	50	10	BBGE	
C[C@H]1CCC[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2040767002	LTLFJSOQUGOFQV-CBAPKCEASA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCCC[C@H]2C1	2052467413	QJIRTJANXNVSOJ-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
Cc1ncnc(N2CC3(CCCC3)C2)c1B(O)O	2052551000	ZVSDSEBCOWPJIO-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ncnc(C)c1B(O)O)C2	2052558572	UVCKXRFCAKCYAO-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c1B(O)O	2053734089	CSEJYZBWZABQMF-MMWGEVLESA-N	244.103	-0.086	50	10	BBGE	
Cc1ccccc1Cn1cc(B(O)O)ccc1=O	2058153914	AYBWMULSOYYGFL-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CCc1c(C=O)cc(OC)cc1B(O)O	2060159907	ZMSKZIYDSUHQKG-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
O=C(NCCc1ccccc1B(O)O)N1CCC1	2067541164	WIODZAWLZFSEHJ-UHFFFAOYSA-N	248.091	-0.676	50	10	BBGE	
C[C@H]1COCCN1CC1(C(=O)NN)CCC1	2212265883	KPHLDKKIOSHOPZ-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1ncccc1B(O)O	2212612056	HRTLVSYRHZAYAZ-CBAPKCEASA-N	222.053	-0.792	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]1C(F)(F)F	2212876423	FPIYETLNJMOUQJ-RNFRBKRXSA-N	248.997	-0.294	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@@H](CO)C1	2215772834	QFGPVUFMRKMYJQ-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC(F)(F)C1=O	2215776784	OWDNEHAEYDAWKH-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C[C@@H]1C[C@@H]1C(=O)NN	2216198369	IGXUEIPXNKYNJN-RCWTZXSCSA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2C[C@@H]3O)CCC1	2216528117	LPZVTGJWASTRJL-UTLUCORTSA-N	239.319	-0.398	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CC[C@H]2O3)c1	2217172743	MCBJJXSHIAFXLK-OPRDCNLKSA-N	234.064	-0.507	50	10	BBGE	
C#CCN(CC(C)C)c1cc(B(O)O)ccn1	2217173694	SXGZPHLKTGVCOZ-UHFFFAOYSA-N	232.092	-0.143	50	10	BBGE	
OC[C@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217177476	JMIAMHIBOZMTGW-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H](CN(C)C)Nc1nccc(B(O)O)c1F	2217182049	YJAZOWRAMILLDK-ZETCQYMHSA-N	241.075	-0.738	50	10	BBGE	
Cc1cnc(N2CCC23COC3)cc1B(O)O	2217182310	BXQGDKKNDIMLJU-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
OB(O)c1ccnc(OCC[C@H]2CCCN2)c1	2217191171	RGPAMCWPIARABO-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CN1CCC[C@@H](Nc2cc(B(O)O)ccn2)CC1	2223650581	OIIKOTNCRQAOJI-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@]2(C1)C[C@@H](O)C2	2223678653	FWFYEVJMDKQJFO-WVSHTKLVSA-N	248.091	-0.887	50	10	BBGE	
CCCONC(=O)[C@H]1C[C@H](B(O)O)C1	2241495763	MECLRDXCHDXIBL-LJGSYFOKSA-N	201.031	-0.303	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C[C@@H]2CCCC[C@@H]21	2242738763	NINKZZNEFZDUDF-AEJSXWLSSA-N	227.308	-0.398	50	10	BBGE	
CN1C(=O)[C@@H](F)C(=O)N(C[C@@H](Cl)C#N)C1=O	2243050347	FEJLUZKWDVYTKK-CRCLSJGQSA-N	247.613	-0.124	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2243350269	YHZXVZDKAACKOA-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CCCCN1	2243378188	OGNDJZMIUKHDJL-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)[C@@H]1C[C@@H]1B(O)O	2243396323	KSQSSSXHDCERKM-YIZRAAEISA-N	226.085	-0.892	50	10	BBGE	
C[C@H](CCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420133	NCUOZWZXZSKHRT-IWSPIJDZSA-N	229.085	-0.626	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243426883	NFRKTXMFNGFGMZ-MAUMQABQSA-N	227.069	-0.610	50	10	BBGE	
C#CC(=O)Nc1ccc(B(O)O)cc1CC	2243684587	CJWPGKPAAHARQX-UHFFFAOYSA-N	217.033	-0.500	50	10	BBGE	
CC(C)(F)C(=O)NCc1cnc(B(O)O)s1	2243685561	XBZHMFJBYOQQAW-UHFFFAOYSA-N	246.072	-0.813	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCNC2)ncc1Cl	2245912895	IZVOPBZXFURBRE-LURJTMIESA-N	241.487	-0.811	50	10	BBGE	
COC[C@H](C)COc1cc(B(O)O)cnc1C	2246737972	CHJJCVOACZTUCT-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2(B(O)O)CCC2)[C@@H]1C	2247753092	BKMWNZXVQJKCNE-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1N(C)C	2247754604	NPUIORCAJAYMJR-IUCAKERBSA-N	240.112	-0.598	50	10	BBGE	
CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786023	UOBVHTGPLVKTRW-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787958	XACJLXNVIQZWQH-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C(Nc1ccncn1)c1cc(B(O)O)cs1	2247796223	VUZHOVPJVNGRBM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(NC1CC2(CCNC2)C1)[C@@H]1C[C@@H]1B(O)O	2247798238	RMWLXHQIQRKFFP-GWMJWBFUSA-N	238.096	-0.892	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]2CC[C@@H]21	2247799928	JNVVIMQZJXVYOS-KATARQTJSA-N	238.096	-0.846	50	10	BBGE	
Cn1ccnc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247800374	OIBABCLWWPYEGH-ZKCHVHJHSA-N	237.068	-0.711	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCCO1	2247800800	SWFXSZXCZQHZDM-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1ccc(B(O)O)o1	2247847588	ZESBOCFWLGQUIA-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1nc(C)ccc1B(O)O	2247870947	SQMSSRMYEARHQB-SSDOTTSWSA-N	234.064	-0.626	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2cncc2C1	2249738243	HIWROWFZKKCLRS-IUCAKERBSA-N	237.307	-0.287	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1coc(B(O)O)c1	2255456540	POCZYOVJTBEACJ-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
O=C(C#CB(O)O)NOCCOc1ccccc1	2255462824	AORKKORPJKPXTP-UHFFFAOYSA-N	249.031	-0.871	50	10	BBGE	
C#CCN(CC)C(=O)c1cccc(B(O)O)c1F	2255499000	YAOUJOUBIXHAHK-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
Cc1cccnc1NC(=O)c1n[nH]cc1B(O)O	2255552676	OHHJYIHLCQEJCN-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cc(C)c(B(O)O)o1	2255580719	GXMCGJYNJLZYJQ-UHFFFAOYSA-N	249.075	-0.200	50	10	BBGE	
O=C(NC1(C2CCC2)CC1)c1cc(B(O)O)c[nH]1	2255674741	OVOVQVBZXOQZDN-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@@H]2C[C@H]21	2255727853	WPANIDCITWLUOZ-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
N#CCCCCNC(=O)c1ccncc1B(O)O	2255728487	GYCJTABCWKDNLV-UHFFFAOYSA-N	247.063	-0.815	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2CCO2)ccc1B(O)O	2255734792	HNBZILDHVQJWRA-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cc(C)c(B(O)O)o1	2255783952	GUDVGAIAKRIKFG-UHFFFAOYSA-N	249.075	-0.200	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1CC12CC2	2257486745	JBDMUXUKMLMYPX-SECBINFHSA-N	246.075	-0.648	50	10	BBGE	
C#CC1CCN(C(=O)c2cocc2B(O)O)CC1	2258126369	DFJCMPLFLJAHOH-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1occc1B(O)O	2258944793	YACAHMWGHVHGPL-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
CCc1nn[nH]c1CNc1ncccc1B(O)O	2261469048	ZVRZWLXXFSWFHF-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@H](C[C@H]2O)C1	2298370936	SEQOBLOWWVPDPS-JDDHQFAOSA-N	239.080	-0.921	50	10	BBGE	
CO[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2298371746	UFXYQCROCGMYDJ-BBBLOLIVSA-N	243.112	-0.021	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1CO)[C@@H]1C[C@H]1B(O)O	2298375044	WCSCOIWGWRFSEF-AXTSPUMRSA-N	241.096	-0.626	50	10	BBGE	
CN1CC(COCc2nc(C(=O)NN)co2)C1	2299036289	WXJPZNBSQXVBBU-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299757789	BDVGFTTXYUGUIH-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2301341835	UCMKGDCHHWTAMJ-QMMMGPOBSA-N	233.080	-0.979	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@@H]1N	2301365440	RFMXYUBDNUTWSC-ONGXEEELSA-N	232.048	-0.893	50	10	BBGE	
CCN1CC(CNc2cc(B(O)O)ccn2)C1	2303136553	VSXZOQBSRGNCTM-UHFFFAOYSA-N	235.096	-0.875	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1cc(B(O)O)c(F)cn1	2303861761	STSQOZFDMODPDF-ZCFIWIBFSA-N	242.059	-0.595	50	10	BBGE	
COc1cnc(CN(C)[C@@H](C)C(=O)NN)nc1	2307330765	ACAVHBBVOPKCFT-ZETCQYMHSA-N	239.279	-0.705	50	10	BBGE	
C=CC1(Nc2ccc(B(O)O)cc2C#N)CNC1	2317165040	GYQBERKMOZBGFQ-UHFFFAOYSA-N	243.075	-0.822	50	10	BBGE	
CC(=O)N/N=C(/N)S[C@@H]1C=CS(=O)(=O)C1	12173718	OLXLIRHJTJAIRQ-ZCFIWIBFSA-N	249.317	-0.604	50	10	BBGE	
N[C@@H](CC(=C/C=O)/C=C(/O)C(=O)O)C(=O)O	13542577	FNEGJFDTWWXQES-QTWONPPNSA-N	229.188	-0.560	50	10	BBGE	in-vitro
C[C@H](NC(=O)C(=O)NN)c1ccccn1	35695586	BQRGIEXAXJJFCY-LURJTMIESA-N	208.221	-0.751	50	10	BBGE	
O=C=NCCS(=O)(=O)N1CCCC1	41212640	WTIGSYDCFRXLOO-UHFFFAOYSA-N	204.251	-0.252	50	10	BBGE	
Cn1c(N)nnc1SCCCC(=O)NN	82473344	RCNOQDFUDOOINI-UHFFFAOYSA-N	230.297	-0.741	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CCN1C	82485305	XNDGGYKSUVZPGA-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
CC[C@H]1CC[C@@H](NC(=O)C(=O)NN)[C@@H]1C	83050238	NJEPKPGGAUCTHY-GJMOJQLCSA-N	213.281	-0.083	50	10	BBGE	
CCOCCN(C)[C@H](CC)C(=O)NN	87979992	LXXYSAQVALOXNX-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(C)(O)CC1	88023286	OZRQJISPFPKJRB-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C2CC2)CC1	93072233	BXKJWEWVPPNOOR-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
CC(C)(CN1CCN(C2CC2)CC1)C(=O)NN	93728086	JPPXXIPAOMNKFZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@@H](CO)O1	164361525	XGTATTVTYXJYNU-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
COC(=O)[C@H](C)C(=O)NC(=O)CCl	196233592	WVMISSOBCFDWIB-SCSAIBSYSA-N	207.613	-0.323	50	10	BBGE	
COc1c(F)c(F)cc(B(O)O)c1F	197412639	LEWHTALSCZXUCB-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
CCCN/C=C(/C#N)C(=O)N1CCNCC1	216963025	GYWLELJJZQMVJU-KTKRTIGZSA-N	222.292	-0.175	50	10	BBGE	
CC(=O)N[C@H]1CCN(CCCCC(=O)NN)C1	228341907	JGSSCHSUASYMDE-JTQLQIEISA-N	242.323	-0.643	50	10	BBGE	
C[S@@](=O)CCNS(=O)(=O)CCl	229270612	AIURTPRUVHRQFW-SNVBAGLBSA-N	219.715	-0.519	50	10	BBGE	
NC(=O)COCCNc1nnc(CCCl)o1	230108655	AZYVOSGQZZSSGT-UHFFFAOYSA-N	248.670	-0.235	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)C[C@@H]1O	230357066	CMANOGZBFMSHKB-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
NC(=S)NNC(=O)CCOCC(F)F	232352258	WOACUFCLQGHWBN-UHFFFAOYSA-N	227.236	-0.477	50	10	BBGE	
O=C(NCCOCCCl)c1ccc(=O)[nH]n1	236033631	ZGQPKLKZXIYMHI-UHFFFAOYSA-N	245.666	-0.245	50	10	BBGE	
NNC(=O)c1cc(F)cc(N)c1[N+](=O)[O-]	238559255	YWKJBRKEENTXEP-UHFFFAOYSA-N	214.156	-0.080	50	10	BBGE	
N#C[C@@H](O)c1cccc(N2CCNC(=O)C2=O)c1	260560125	LBBZYGSUYVQPPO-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
Nc1ccc(C(F)(F)F)nc1B(O)O	306302451	JGBUFSQXOPVOMG-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OB(O)c1ccc(O)c2sc(O)cc12	307078334	FBSFLGQMXMOQBW-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CN(C)NC1=O	307166823	QCDFTTZMMRMQDX-NTSWFWBYSA-N	219.672	-0.677	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NC2CN(C)C2)[nH]1	379113115	VXMPQFMFURTYDR-RXMQYKEDSA-N	242.714	-0.268	50	10	BBGE	
CCN([C@H]1CCOC1)[C@H](COC)C(=O)NN	381215578	FTZZDVCMPRFYNT-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CN1CC[C@H](N(C)Cc2cccc(B(O)O)c2)C1	385294322	QEPZXQHJJCCGNX-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
COC[C@@H](C)CN(C)CCCC(=O)NN	389882952	PJOCEDPBMMVXBS-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
C[C@@H](CNC(=O)CCCCl)S(N)(=O)=O	398215575	ADTQSNXAHRPNJQ-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1CCCC(=O)NN	688938260	WNSZPJXEBSYDHN-DTORHVGOSA-N	215.297	-0.134	50	10	BBGE	
Cn1cnnc1CN[C@@H]1COC[C@H]1Cl	689532568	IJSMDGKFCIUMQE-RNFRBKRXSA-N	216.672	-0.089	50	10	BBGE	
CN(CCNS(C)(=O)=O)C(=O)CCCl	689651748	RDRKQNZZPLZLEQ-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
C[C@H]1SCCN(CCC(=O)NN)C1=O	691051426	XXHPHUGFJDYIPA-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2ccc(B(O)O)n2)O1	694226570	DQDHUSQYRJDDKZ-SFYZADRCSA-N	210.042	-0.870	50	10	BBGE	
OB(O)c1cnn(CCc2ccncc2)c1	694486879	IHQCPTLMDYGPDV-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)C[C@H]1CO	698218302	YXFLPBRMHFQGKM-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@H]1CO	700396818	DWDTZKKPMZJVHX-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
COCc1ccccc1C(=O)NCB(O)O	702017777	PSSVYTLQHHPYCL-UHFFFAOYSA-N	223.037	-0.425	50	10	BBGE	
CC(C)OC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703476749	NGEDWWPKZNYHNO-YUMQZZPRSA-N	241.243	-0.146	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC1(C)C	706768791	KRROFOWGBHYYDS-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CN(CCC(=O)NN)CCn1cccn1	707205887	ZDBFEIFAWMYOHZ-UHFFFAOYSA-N	211.269	-0.805	50	10	BBGE	
CC(C)[C@]1(O)CCCN(CCC(=O)NN)C1	710190519	NHIJWKRQUDEIJE-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(N)=O)N(C)Cc1occc1C(=O)NN	711135630	PWPVPXBNXYUYBU-ZCFIWIBFSA-N	240.263	-0.811	50	10	BBGE	
C[C@H](C(N)=O)N(C)C(=O)NC(=O)CCl	711209172	BHAGYYFTIQQMPJ-SCSAIBSYSA-N	221.644	-0.733	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC12CCN(CC1)C2	715565131	OKDMWWHFQFCZFR-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@H]1CCN(Cc2ccc(B(O)O)cc2)CCO1	720458029	ZROZSERXGPSTBQ-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@H](C)CC1	720468996	AHTLXDIUHADSLP-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)[C@H]1CCCOC1	723863234	BEVGLLFGSJSBDD-YUMQZZPRSA-N	229.280	-0.702	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)Cc1ccccc1B(O)O	724140399	OKCWXLJDURHKPA-STQMWFEESA-N	249.119	-0.024	50	10	BBGE	
CCC/C=C\[C@@H](O)C(=O)NNC(=O)C(C)(C)O	907626093	KVEGBRYFKHWADY-NFXKFNAJSA-N	244.291	-0.378	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCF	911501974	BWIKRCIAKXUUEC-NKWVEPMBSA-N	218.228	-0.082	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2ncon2)o1	1134397031	NMUKARJNZPNROH-UHFFFAOYSA-N	247.170	-0.391	50	10	BBGE	
CCO[C@@H](C(=O)NNC(C)=O)[C@@H]1CCOC1	1261845871	QQZZDINTWVRUSN-RKDXNWHRSA-N	230.264	-0.405	50	10	BBGE	
N#C/C(=C/c1cc2n(n1)CCC2)S(N)(=O)=O	1327065642	IKNBTCDDFVTMTH-UITAMQMPSA-N	238.272	-0.018	50	10	BBGE	
Cc1nnc(NNC(=O)Cn2ccnc2)n1C	1351620786	XJDYQIBDSDRACO-UHFFFAOYSA-N	235.251	-0.537	50	10	BBGE	
Cc1nnc(CC(=O)NNc2ncccn2)o1	1540670913	ZEUMFSAREVSNMT-UHFFFAOYSA-N	234.219	-0.146	50	10	BBGE	
COC(=O)N(C)NC(=O)/C=C/C(=O)N(C)C	1636249151	DHKOGOHQJGOXAD-AATRIKPKSA-N	229.236	-0.640	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCCl	1866337523	XRXNFKQILQLJHT-PHDIDXHHSA-N	221.640	-0.338	50	10	BBGE	
CC[C@H](OC[C@H](C)N(C)C)C(=O)NN	1884726822	TVDGMBYXHDMGCA-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
NCc1nc(=NC(=O)[C@@H]2C[C@H]2Cl)s[nH]1	1893468956	DHBDZOBRPJYXQB-QWWZWVQMSA-N	232.696	-0.016	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O	1900616357	MBOITVMQXIXKNV-RULNZFCNSA-N	213.668	-0.220	50	10	BBGE	
C#CCCNc1ccc(B(O)O)cc1C#N	1901205887	WPDGRWNCLCWQMW-UHFFFAOYSA-N	214.033	-0.327	50	10	BBGE	
Cc1cc(OC[C@H]2CCO2)cc(B(O)O)c1	1901307305	OEPIEGZMDMUWEA-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
CON(C)C1CN(CC(B(O)O)=C(C)C)C1	1901700949	IGKXMQHIFHWITH-UHFFFAOYSA-N	228.101	-0.488	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	1901997354	KIMRGLSPMZSJLN-DOLQZWNJSA-N	226.324	-0.611	50	10	BBGE	
CC(C)N(C)C(=O)CN1CC[C@@H](B(O)O)C1	1902516223	RCUYGOUANDGYDN-SECBINFHSA-N	228.101	-0.598	50	10	BBGE	
CC[C@](C)(CN(C)[C@H](C)C(N)=O)C(=O)NN	1902719899	KDTWQVGTJBKVTF-GMSGAONNSA-N	230.312	-0.802	50	10	BBGE	
CCC1(F)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1908719371	PIRBQTOTQDGPFB-DTWKUNHWSA-N	245.298	-0.042	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](C2(O)CC2)C1	1908846775	UOWBBLDRVYYVDM-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
O=C(CN1CCNCC1)NC1CC(Cl)C1	1909273561	YINFSZCSABGLSY-UHFFFAOYSA-N	231.727	-0.222	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	1913610043	LOEIAGHTSUDKET-YUMQZZPRSA-N	234.064	-0.254	50	10	BBGE	
CN=c1ncnc(N2CC=C(C#N)CC2)[nH]1	1917098055	RNZNDTBNOKODTE-UHFFFAOYSA-N	216.248	-0.005	50	10	BBGE	
C[C@H](Cl)CCNC(=O)Cn1cnnn1	1928696848	SREIWDRWQKJYRP-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
CC(C)n1ccc(C(=O)NNCCO)n1	1933276625	ACVPWPLDVWUBOT-UHFFFAOYSA-N	212.253	-0.309	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)C(=O)O1	1936529459	LPKWFNNHBCSXTB-UHFFFAOYSA-N	231.252	-0.776	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)S1(=O)=O	1937869980	OJIPQKMKCSSZIL-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)CC1(C(=O)NN)CC1	1938245815	ASPOMHCOFPTVFH-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](CO)C2(CC2)C1	1940645435	QKAMDUDTPMCTKW-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1943069432	AEJLCBGSOMPNTR-ZDCRXTMVSA-N	241.335	-0.439	50	10	BBGE	
CN(Cc1ccncn1)CC1(C(=O)NN)CC1	1945890480	DZJCGPLZGFUBGH-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951019246	RKRBCVFXMIVRIL-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)N1CC[C@H](B(O)O)C1	1951322162	WQKIOCPFPYSKAR-DTWKUNHWSA-N	224.069	-0.037	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@@H]2COC[C@H]21	1955240621	OWHMNYPLXBFHRP-KDXUFGMBSA-N	216.668	-0.191	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@@H]2CNC[C@@H]21	1957255826	IZOBQQYBJVERJV-XHNCKOQMSA-N	215.684	-0.210	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1958774651	JHQVRXVBTNHUCQ-QVWMKHDWSA-N	233.695	-0.186	50	10	BBGE	
CC1CC([C@@H](C)N(C)C(=O)C(=O)NN)C1	1959136767	JCKPGYVVBOVCCV-ZUEIMRROSA-N	213.281	-0.131	50	10	BBGE	
Cc1ccnc(N2CCCC2)c1B(O)O	1961690458	IZNJAUYGGZBQII-UHFFFAOYSA-N	206.054	-0.330	50	10	BBGE	
CN(CC1CSC1)c1nc(B(O)O)cs1	1961717863	HJGLBCAPOVAFPL-UHFFFAOYSA-N	244.150	-0.378	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CCCCC(=O)NN	1979616396	QGLHDHLFNGNWQE-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CC(F)C2)C1	1981212381	XNJZPWWDXSVIBI-MRVPVSSYSA-N	231.271	-0.575	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)[C@H]2C)c1B(O)O	1981447579	PORSGMRJXUAOFA-HTRCEHHLSA-N	221.069	-0.691	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@H]2CO3)n1	1981468733	HQPUWKOGPFPWSD-BQBZGAKWSA-N	240.093	-0.810	50	10	BBGE	
OB(O)c1cc(OCC2COC2)ccc1F	1981500621	ONFLZHSKVZDJRH-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
COCc1nccn1CC1(C(=O)NN)CC1	1985660157	OQLASHZJKWTNTB-UHFFFAOYSA-N	224.264	-0.200	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@H]1C(C)C	1985695417	YGJAIMGLGKBDJB-YUMQZZPRSA-N	229.280	-0.752	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CC1(C(=O)NN)CC1	1990041198	OQKUCAHKOKCOII-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(F)(F)C[C@@H]1C	1990771937	DJSKOEONVXWBKZ-LURJTMIESA-N	235.234	-0.117	50	10	BBGE	
COCCN1C[C@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1991436796	BGRSBSPXSGCAMU-ZDCRXTMVSA-N	248.754	-0.105	50	10	BBGE	
COC[C@@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C1	1991713406	SLABSZLNJPJWBL-VMZHVLLKSA-N	247.678	-0.082	50	10	BBGE	
C=C(CN1CCN(C)C(C)(C)CC1)B(O)O	1992152234	BTIMYLNQLSRICC-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
CN(CP(C)(C)=O)c1ncc(B(O)O)cn1	1992348227	JMMOZMXERRPEBA-UHFFFAOYSA-N	243.012	-0.827	50	10	BBGE	
CCC[C@@H](SCCOC1CNC1)C(=O)NN	1993410372	GBNDCAOISZLLGK-SECBINFHSA-N	247.364	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1Cc2ncsc2C1	1993517926	FWAOZCRZSWVKCT-SSDOTTSWSA-N	242.304	-0.536	50	10	BBGE	
O=C(CCC1CCC1)N[C@H](CB(O)O)C(=O)O	1998131623	WWVDFKCEYODGBT-MRVPVSSYSA-N	243.068	-0.391	50	10	BBGE	
CCCNC(=O)C1CN([C@H](C)CC(=O)NN)C1	2002654894	YNTHKVCMOBUEMW-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
COCC1(C(=O)N2CC=C(C#N)CC2)CNC1	2003437105	ZTVKUTXZGYSAFM-UHFFFAOYSA-N	235.287	-0.095	50	10	BBGE	
CCCOC[C@H]1CCCN(C(=O)C(=O)NN)C1	2003794335	ZFIWPEQSKWOOTH-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
NNC(=O)CCN1CCC(n2ccnc2)CC1	2004041701	SBGJNZQEBQXFIO-UHFFFAOYSA-N	237.307	-0.100	50	10	BBGE	
NNC(=O)c1occc1CN1CCC12COC2	2004487597	YOTKHOBZVVQDOH-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
CON(c1ncnc(C)c1B(O)O)C1CCC1	2004975458	ZEGXOZHMSDLVLM-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@H]2C[C@@H]2F)c1	2006989450	SYDNQAWMTVGNGT-CBAPKCEASA-N	237.039	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(CCN(C)C)C1	2007715497	GRZAEELNFHHOSX-NXEZZACHSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H](F)[C@@H]1CCCN1c1ncc(B(O)O)cn1	2010589753	FBCKJDUHZWPWLY-APPZFPTMSA-N	239.059	-0.517	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(CCOCC(=O)NN)C1	2016013293	JMHGBGXEJWEJLJ-DTWKUNHWSA-N	249.286	-0.948	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]1C1CCOCC1	2022408263	NCLNQWDFNJPHIZ-BDAKNGLRSA-N	241.291	-0.845	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1cocn1	2031815017	MHPKHNAVDJWGIG-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1ncnc(N2CC(C)(C3CC3)C2)c1B(O)O	2052559283	ZUJLOTYPEJBWPU-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cccc(O)n1	2076077739	BHMBEXDWTVBLNN-QMMMGPOBSA-N	248.047	-0.382	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1O[C@H]2C=C[C@H]1CC2	2077855905	PEERYVDWYJPGBW-QWRGUYRKSA-N	246.075	-0.091	50	10	BBGE	
Cn1cnc(COCc2cccc(B(O)O)c2)n1	2080304925	OGGPRBHRIMKEJF-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
NNC(=O)CN1CC[C@H](OC(F)F)C1	2210026695	LAXMCEBNKCCHEM-YFKPBYRVSA-N	209.196	-0.710	50	10	BBGE	
C[C@H](CO)Sc1cc(B(O)O)ccn1	2210064549	IHVZUCWUVMXWCU-ZCFIWIBFSA-N	213.067	-0.766	50	10	BBGE	
C=C(CN(C)C[C@]12COC[C@H](C1)C2)B(O)O	2211554957	ASXOUIOPDLRWAS-PHIMTYICSA-N	225.097	-0.087	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CO)C2)CCC1	2212261668	JVDUNIMKXSSLLZ-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
C#CCC(C)(C)Oc1ccc(B(O)O)cn1	2212605422	DGZZAWHDOOVDME-UHFFFAOYSA-N	219.049	-0.058	50	10	BBGE	
OB(O)c1ccnc(NCc2ccon2)c1	2212610906	QXCFTAFTSXRASJ-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CCN(CCSC)c1cc(B(O)O)ccn1	2212612520	LKCCHDOXWUSNEQ-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]2C2CC2)c1	2212613881	ZYEKRSFLRGRTOX-NXEZZACHSA-N	218.065	-0.028	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@@H]1C(F)(F)F	2212876424	FPIYETLNJMOUQJ-RQJHMYQMSA-N	248.997	-0.294	50	10	BBGE	
NC1(CCOc2ccc(B(O)O)cn2)CCC1	2217185507	YLPLUMWNEYZJGP-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
N[C@@H](COc1ncccc1B(O)O)CC1CC1	2217188810	UCOGJLMWIITVNY-SECBINFHSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@@H](CCN)Oc1cc(B(O)O)ccn1	2217190099	LFWWKWXGRFPTAR-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@](CO)(Nc1ccc(B(O)O)cn1)C1CC1	2217197554	NSPXYHASHWPTMT-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
CO[C@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217198008	UZRFLERIDCFIKP-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](CCO)CNc1ncccc1B(O)O	2217200919	BNVIIBXFQSGNKC-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)CCN1	2220069266	DRJKGJBTCBLGDU-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCCNC[C@@H]2C3)nc1	2223647669	ZMQREOYHZQQFIG-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c1F	2223651511	XNTUIMBUNXHSEZ-GHCJXIJMSA-N	248.066	-0.255	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1	2242751307	QUHWJEXHCLCGTO-BZNPZCIMSA-N	223.276	-0.519	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NC(=O)C1(B(O)O)CCC1	2243347536	NHDSNGRCXVQZMS-HYORBCNSSA-N	247.125	-0.733	50	10	BBGE	
CC[C@]1(C)CC(=O)N(C(=O)C#CB(O)O)C1	2243356893	OHWSBIQNPJTOEX-SNVBAGLBSA-N	223.037	-0.823	50	10	BBGE	
C[C@@H](COC(F)(F)F)NC(=O)C#CB(O)O	2243357428	WSKFWGDVYBDJCT-YFKPBYRVSA-N	238.958	-0.957	50	10	BBGE	
C[C@H]1CCS[C@H]1CN(C)C(=O)C#CB(O)O	2243399773	QIYLUFBLKVJAMQ-IUCAKERBSA-N	241.121	-0.398	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CN1C(=O)C1(B(O)O)CCC1	2243410397	AXZNXSLWTADHIV-NKWVEPMBSA-N	223.037	-0.612	50	10	BBGE	
CN1CC(CNC(=O)C2(B(O)O)CCC2)C1	2243411069	NGIMCXCJHHCHSD-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243419643	CZIDDHURSPGMPW-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
C#CC(=O)Nc1cc(B(O)O)c(Cl)cc1C	2243677792	ABFVAJZSTXIJII-UHFFFAOYSA-N	237.451	-0.100	50	10	BBGE	
Cc1cc(CNC(=O)C(F)F)sc1B(O)O	2243678297	HJNGLHTVHQJRKE-UHFFFAOYSA-N	249.047	-0.382	50	10	BBGE	
CC(C)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2243751750	AMHYPLWKHNUBPT-OLQVQODUSA-N	229.041	-0.781	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243758302	DBMDWCWVNYVPSK-LYFYHCNISA-N	229.041	-0.829	50	10	BBGE	
NC(=O)C[C@H]1CCCN1C(=O)NC(=O)CCl	2244072188	LPNOKNWQJBOFJB-ZCFIWIBFSA-N	247.682	-0.199	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1occc1B(O)O	2244146776	JKYNWZXDAJXZLN-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCC1(NC(=O)c2cocc2B(O)O)CC1	2244213876	KXZRMNWNLBCDGN-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(C2CC2)CC1	2244546046	GEQIYJBCQYMVTJ-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CCC(F)(F)CC(=O)NCCC#CB(O)O	2244547975	INKNXIWSBZEMEH-UHFFFAOYSA-N	233.023	-0.057	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)[C@H](C)C(C)(C)O1	2244836251	GCTQASYKBWZOGF-RNFRBKRXSA-N	229.280	-0.609	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)s1	2245940356	LZKHSKMGCWJRQJ-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247747398	MYQHKADHMVZEEM-RKDXNWHRSA-N	236.080	-0.531	50	10	BBGE	
CCCNC(=O)[C@H](C)NC(=O)C1(B(O)O)CC1	2247754890	GGYFAHBQLFOSNH-ZETCQYMHSA-N	242.084	-0.976	50	10	BBGE	
C[C@@H](CF)NC(=O)c1ccc(F)cc1B(O)O	2247759511	RSEUUQORGWBBHB-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ncccc1B(O)O	2247761461	VKHBYVZPGYIVCI-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
CC(C)N(C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247799415	CXECHFUHGUJVLJ-AEJSXWLSSA-N	242.128	-0.306	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCn2ccnc2C1	2247803437	BBOSGODBXXLVLG-JGVFFNPUSA-N	235.052	-0.912	50	10	BBGE	
CN(CCN1CCCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247806429	NCVGDCCSKZBALW-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247806513	FOLUUMCWPWFIDC-AJIVMACJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](CCO)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810497	XUGVPYNVPVKGBL-GUBZILKMSA-N	243.112	-0.236	50	10	BBGE	
COC(=O)C[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247854778	IHGZGKJRUCHYPC-BWZBUEFSSA-N	243.068	-0.693	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247860287	UYOFAGLATLOSGR-CIUDSAMLSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)CNCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247860399	WNTDUUWZRALNAO-IUCAKERBSA-N	240.112	-0.693	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2NCC[C@H]21)C1(B(O)O)CC1	2247872526	UAUJQTZIVNIFSL-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247873574	DSHUKUDIXQOWPX-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
COC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247877136	CHNQEIHRDPWJDK-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CCCC[C@H](O)C1)C1(B(O)O)CCC1	2247878397	JMTBAIDGYDGEMJ-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
O=C(NCCC[C@@H]1CCCN1)C1(B(O)O)CC1	2247878813	NQSRDGXUHTWLDK-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)C1(B(O)O)CCC1	2247879651	WTGNCPMSOFXSPD-HRDYMLBCSA-N	239.080	-0.465	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1B(O)O	2247898187	BAFCTAKKWWAOTR-QCHRWEISSA-N	238.096	-0.670	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H](C)O1	2247899978	RYJSHSPEMMFYOL-CHIWXEEVSA-N	241.096	-0.125	50	10	BBGE	
CCCC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248585741	PWUHPVJXYKOYJB-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
COC1(C(=O)NCCC#CB(O)O)CC(C)C1	2249998377	IDGATAXGQSRHKX-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Oc1ncccc1B(O)O	2251025105	LYJCUJVARAPUTN-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(C)c1	2255513228	NGAYDELIIJYSOW-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
Cc1cccnc1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2255569795	ZCMMZZZQBSIMDA-UWVGGRQHSA-N	248.091	-0.088	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1ccc(B(O)O)cn1	2255714610	SXCBSHKTBVMQEK-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(NCCCC1CC1)c1ccncc1B(O)O	2255729555	XNKWQZMJVHBVAW-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]3C[C@@H]32)c1	2255730965	XOTSHODWXZKNDT-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@H]2[C@H](C1)C2(F)F	2298367517	KLHRSFNOOVAXEZ-RNJXMRFFSA-N	243.018	-0.448	50	10	BBGE	
CC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298369715	CCOXAUSHGNCLIH-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@]2(CCCO2)C1	2298370443	YOMHOPDQUPABOB-IQJOONFLSA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)[C@@H]1C[C@H]1B(O)O	2298370796	MTUMFEZGRFLSTJ-SJQPAMGKSA-N	238.096	-0.892	50	10	BBGE	
C#C[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377008	AWTWDJBPCVVSAG-KKZNHRDASA-N	237.064	-0.900	50	10	BBGE	
CN(CCC#N)c1ccc(B(O)O)cc1C#N	2301339947	YOXVKGHBZYUSCY-UHFFFAOYSA-N	229.048	-0.412	50	10	BBGE	
C#C[C@@H]1CCN1c1ccc(B(O)O)cc1C#N	2301345019	ASSPHFUGZUJOPB-LLVKDONJSA-N	226.044	-0.550	50	10	BBGE	
C=C(COC[C@H]1COC2(CCC2)CO1)B(O)O	2301364032	CGWSGYRHFPTJDJ-JTQLQIEISA-N	242.080	-0.091	50	10	BBGE	
N#CC1(F)CN(Cc2ccc(C(=O)NN)o2)C1	2301425530	CRIQOTLJGKKTFL-UHFFFAOYSA-N	238.222	-0.069	50	10	BBGE	
N#CC1(F)CN(Cc2cccc(B(O)O)c2)C1	2301463801	GWUIZUKPAIRXFA-UHFFFAOYSA-N	234.039	-0.586	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C)CCCC(=O)NN	2302021609	BRJPFCFBKFRILS-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@H]1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C[C@@H]1O	2302568436	LROGIXGLGNXNHR-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@H](F)C1	2307404761	ZTDBUKPZYKHBTB-LJGSYFOKSA-N	238.027	-0.552	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3occc3B(O)O)[C@@H]1C2	2312849422	VXQNSGRWQNZRTG-VMAXQDLPSA-N	249.075	-0.122	50	10	BBGE	
CC(C)[C@H](N)C(=O)N[C@@H](CCl)C(=O)O	26175184	QELMAJBJHZGQCH-WDSKDSINSA-N	222.672	-0.222	50	10	BBGE	
C[C@H](CCl)C(=O)NCc1nnn[nH]1	54715717	VAXKNAGNNZDUAB-SCSAIBSYSA-N	203.633	-0.309	50	10	BBGE	
C[C@H](CC(=O)NN)NCCCCCO	58839868	YIDDMHCZGDOOMK-MRVPVSSYSA-N	203.286	-0.493	50	10	BBGE	
Cc1ccnn1C[C@H]1CC[C@@H](C(=O)NN)O1	70687608	FUEYSTKVSYFINV-BDAKNGLRSA-N	224.264	-0.271	50	10	BBGE	
CS(=O)(=O)c1cccc(C(=O)NN)c1F	75914986	CCQPWHZXKGTQPO-UHFFFAOYSA-N	232.236	-0.167	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@@H]2CCOC2)O1	82465487	WZVWHQAGOGFEOM-VGMNWLOBSA-N	230.264	-0.671	50	10	BBGE	
NNC(=O)CCCN1CCC(CO)CC1	82465786	GPXJPFWMMWEWHE-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1CCO	82466501	NCGFFSJZRYNYGN-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCNC	87472900	LCHNYASLWUSMBG-MRVPVSSYSA-N	202.302	-0.704	50	10	BBGE	
Cc1nnc(-n2nnc3c2C(=O)OC3=O)s1	105569318	BSGFQOSIIOJFMN-UHFFFAOYSA-N	237.200	-0.262	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@H](C)Cl	130227279	XHKXNMQUTNITSQ-BQBZGAKWSA-N	234.683	-0.413	50	10	BBGE	
COCCN(C(C)C)[C@H](C)C(=O)NN	131488631	QNDORRJKFXTWNS-MRVPVSSYSA-N	203.286	-0.278	50	10	BBGE	
CCSSC[C@@H](N)C(=O)NCC(=O)O	214667684	OHGDCZQFOLDGGR-RXMQYKEDSA-N	238.334	-0.084	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C(=O)CC[C@H]2C1	228064124	DYHBEDHHVIYWOQ-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
CCN(C1CCNCC1)[C@H](COC)C(=O)NN	232420105	IBTTZZPVOKPJFG-SNVBAGLBSA-N	244.339	-0.935	50	10	BBGE	
COC(=O)[C@@H](N)[C@H](O)CSSC	238371074	ZQIACFZFORMSMF-UHNVWZDZSA-N	211.308	-0.141	50	10	BBGE	
O=Cc1cnc(Br)c(B(O)O)c1	238616588	UAJRLWBJSLZEQC-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
O=C(F)[C@@H]1C[C@@H](O)CN1C(=O)CCl	238680533	FNTAOADEPLGZID-UHNVWZDZSA-N	209.604	-0.317	50	10	BBGE	
C[C@H](CN1CCC[C@H]1CO)C(=O)NN	251110438	OXXALLLOQRPPME-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]([C@H](C)O)C1	252785083	UPPAQKOHQFWUBA-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2oc(=O)[nH]c2c1	258956939	FZVVMLFBQLCJLA-ZETCQYMHSA-N	222.204	-0.889	50	10	BBGE	
COC(=O)C1=CNN2CC(C=O)=CN=C12	259560158	CIWDCGSCFQFOLF-UHFFFAOYSA-N	207.189	-0.642	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](OC)C1	300045315	JGZUALQLLMXKQG-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1nnnn1C	307462231	GGQXNHHJEMLFHE-BYPYZUCNSA-N	203.633	-0.546	50	10	BBGE	
CC(C)[C@@H]1OC[C@@H](O)/C1=N\NC(N)=O	307720494	UHZIUUZNHUYJNN-PLXRWBJNSA-N	201.226	-0.574	50	10	BBGE	
O=C(NCC(Cl)Cl)c1nnn[nH]1	307754085	YESYLSQITVULIU-UHFFFAOYSA-N	210.024	-0.267	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H](N)CCSC	308864617	WLZLUDLBVGNZMC-ZCFIWIBFSA-N	235.309	-0.156	50	10	BBGE	
NC(=O)OCCNc1nc(N)nc(CCl)n1	309278313	GAQSVQCACVMVLU-UHFFFAOYSA-N	246.658	-0.300	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H](CN)C1	310447616	XJEJFRNDYFOOBO-SNVBAGLBSA-N	242.323	-0.786	50	10	BBGE	
COC(=O)/C(C#N)=C1/C=C(N)NC(C)=N1	379700405	MEXZBWIYFUIGDM-SREVYHEPSA-N	206.205	-0.241	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OCCCF	382631924	DRDSKIGZAVMPIG-UHFFFAOYSA-N	242.011	-0.197	50	10	BBGE	
CCOC1CN(Cc2cccc(B(O)O)c2)C1	383057954	FXXYEBGNRLBQIS-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
NNC(=O)CCCCCN1CC(O)(C2CC2)C1	384111473	HKURDVPQOSFGHJ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	387044553	VDRQKZDOXGUILI-QYNIQEEDSA-N	244.678	-0.408	50	10	BBGE	
CCC1(O)CN([C@@H](C)CCC(=O)NN)C1	394942644	SRRMKVRVBMNTEF-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395620712	VUFPOJRWBMXZBB-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
Nc1c(B(O)O)sc2cc(C(=O)O)ccc12	396251329	YDFJBRQQUNKZMW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cccc2c(C=O)c(B(O)O)sc12	396271316	IJNXCKLBUIPDGT-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCCO)C1CC1	404264978	ZLXFMAZKMWBWAZ-SNVBAGLBSA-N	229.324	-0.008	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccco1	404992536	DIPVXTMQWMYCBX-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
COCC(=O)Nc1cc(C)cc(B(O)O)c1	405035601	UQMRQNPXWMHQFR-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
OC[C@@H](NCc1cccc(B(O)O)c1)C1CCC1	585046676	XQQKRVSPVCKCFC-CYBMUJFWSA-N	249.119	-0.383	50	10	BBGE	
O=C(O)c1cnc(Cl)cc1B(O)O	669372388	PXUVQJATWHQLLS-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1NC[C@H]1COCCO1	690764756	KMOXIODMENJBJY-YIZRAAEISA-N	221.684	-0.002	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@]2(C(=O)O)C1	693336040	WVMUSBKSNLZLHV-RCOVLWMOSA-N	213.237	-0.421	50	10	BBGE	
CO[C@](C)(CO)CNS(=O)(=O)CCCl	702479214	DZMWACYNZWAHSU-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
ClC[C@]1(NCCn2cnnn2)CCOC1	712537772	IYCOJROSZMANKU-MRVPVSSYSA-N	231.687	-0.339	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1	718261043	ZQCWSMHOCIYXON-RYUDHWBXSA-N	233.076	-0.661	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C(N)=O)CC1	722200570	HBJPNFSMPBGFPT-SSDOTTSWSA-N	216.672	-0.186	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@]1(C)CO	723012471	MKPDNFDIPLMDEL-NSHDSACASA-N	243.307	-0.609	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	768244832	OTOGJYMTMJLHBC-XLPZGREQSA-N	242.275	-0.670	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCC12OCCO2	773698894	CHBZXVSJNNRTKB-QMMMGPOBSA-N	228.248	-0.303	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@@H]1C(F)F	801218958	BHVOEPPCIDURBC-WHFBIAKZSA-N	236.218	-0.194	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@@H]1CN(C)C(=O)N1	834348928	WIABEZPQQDNACS-QMMMGPOBSA-N	249.274	-0.143	50	10	BBGE	
N[C@H]1C[C@@H](NS(=O)(=O)CBr)C1	850586715	DHMJZSTWITVBRB-SYDPRGILSA-N	243.126	-0.252	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCC(=O)N1C	862501115	BBLVZCWCTLLYKV-SNVBAGLBSA-N	248.286	-0.124	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cncc2nc[nH]c12	910141785	ZJXPZSUXIIAXGU-SSDOTTSWSA-N	249.274	-0.085	50	10	BBGE	
C[C@@H]1N[C@@H](NCCCl)C[C@@H]2NNC(=O)N21	953055358	FOWVDHSAXKRXIF-FSDSQADBSA-N	233.703	-0.664	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ccnnc2)on1	1142447681	YIELKPYLDSFDRN-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)(F)CNC(=O)NNC(=O)c1ncon1	1234172278	QSNCTPISLUVIAV-UHFFFAOYSA-N	245.214	-0.238	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1ccnnc1	1469119831	DMTULHHXTRCYGG-SGJFDWMWSA-N	236.231	-0.825	50	10	BBGE	
Cc1nnc(CC(=O)NN(C)C[C@@H](C)O)o1	1556925928	APQZFXRRCZTBRL-ZCFIWIBFSA-N	228.252	-0.736	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ccccn2)NC(=O)N1	1567156104	GOOMMRCFEWRSCM-LURJTMIESA-N	249.230	-0.877	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCC1)NC1CC1	1626790981	SOAMMDGMEQQYBE-QMMMGPOBSA-N	227.264	-0.360	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)CC#N)n[nH]1	1639018357	TXZAYVUDZFXZAE-UHFFFAOYSA-N	221.220	-0.678	50	10	BBGE	
CC(C)(O)CCC(=O)NNC(=O)c1ncon1	1639765928	WBQAKEUWETXVPL-UHFFFAOYSA-N	242.235	-0.618	50	10	BBGE	
Cn1cccc(C(=O)NNc2ccncn2)c1=O	1641048161	DVIGJGQVIAIHBY-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@H]2C[C@@H]2Br)C1	1883537018	BCFPLOOXEXVVFQ-BQBZGAKWSA-N	244.088	-0.024	50	10	BBGE	
C[C@H](O)CCCN(C)CCC(=O)NN	1886909338	WCUHKPYZWCMEND-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CP(C)(=O)[C@H]1CNC[C@H](C(=O)NN)C1	1892580487	QRMZUEXOHYDLAM-RNFRBKRXSA-N	219.225	-0.423	50	10	BBGE	
C=C(CN(C)C(C)(C)COC)B(O)O	1895148252	HKMAZWMLXBXSPY-UHFFFAOYSA-N	201.075	-0.089	50	10	BBGE	
CC[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901343135	VFLPSVJFGPSNRZ-MRVPVSSYSA-N	249.336	-0.431	50	10	BBGE	
CN(NC(=O)C1(C)CNC1)S(=O)(=O)C1CC1	1901358647	DGHNAVBRUXBDJZ-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
OB(O)c1ccc(F)c(OC[C@@H]2CCO2)c1	1901368791	RIIDXMGAVKFZEG-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
O=C1CCC[C@@H](CN2CC[C@H](B(O)O)C2)N1	1902511238	FSEIZFFIDMCUQC-IUCAKERBSA-N	226.085	-0.796	50	10	BBGE	
CC[C@H](C#N)S(=O)(=O)N1CC[C@H](B(O)O)C1	1902512646	OFGSBFINSOKUHN-JGVFFNPUSA-N	246.097	-0.833	50	10	BBGE	
O=C(CCn1cnnn1)NCCC#CCCl	1902898834	XIWYVZRZHOMKDZ-UHFFFAOYSA-N	241.682	-0.188	50	10	BBGE	
CCS(=O)(CC)=N[C@H](C)C(=O)NN	1913893058	FPJLGONLGBKCSM-ZCFIWIBFSA-N	207.299	-0.127	50	10	BBGE	
CC1(C(N)=O)CN([C@@H](C(=O)NN)C(C)(C)C)C1	1914188537	HSJVTUBTEUOQCC-ZETCQYMHSA-N	242.323	-0.802	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917086500	INULEDTXTQHZQY-IONNQARKSA-N	219.260	-0.839	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCOCC1	1927914646	WPJSUWFECUDGHG-BDAKNGLRSA-N	213.281	-0.665	50	10	BBGE	
C[C@H](CCl)C(=O)N(C)CC(CO)CO	1930665706	RVQRHYVLTJHDMJ-SSDOTTSWSA-N	223.700	-0.080	50	10	BBGE	
NNC(=O)CN1C(=O)CCC12CCCC2	1931044396	FNFIVKAQGXRDLZ-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@@]1(CO)CO2	1931127623	DYJQROBHXAQDQP-VXNVDRBHSA-N	219.668	-0.023	50	10	BBGE	
CC(C)([C@@H](N)B(O)O)[C@H]1CCCCO1	1931473893	XMBCSVJSDCTSRI-HTQZYQBOSA-N	201.075	-0.079	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@@H](O)CCl)C2=O	1932150172	JKZXJVLTUKJGNV-MYINAIGISA-N	217.652	-0.019	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1COCCCO1	1933312713	HKWNOZXXJCIILY-ZETCQYMHSA-N	243.712	-0.092	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2CC1	1936604260	HCRCTTNTNICRPS-AYMMMOKOSA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@H](O)CC[C@H]2C1	1940895303	GMEAHKVVIKINAW-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1941072905	KOBIZCPJQDXCSZ-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1cnn(C[C@@]23CCC[C@@H]2CCO3)c1	1947436755	OGIJYCVPTCQVRA-KOLCDFICSA-N	236.080	-0.478	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@H]2C[C@@H]21	1953943092	AXBXBSYGWDMIGH-VGMNWLOBSA-N	204.701	-0.026	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@@H](C)N1	1955777898	WGSKZOBWVILXOK-OCAPTIKFSA-N	200.286	-0.145	50	10	BBGE	
CN(C)NC(=O)N(C)C1CCNCC1	1955957577	BIWQQLJZXVFUPP-UHFFFAOYSA-N	200.286	-0.144	50	10	BBGE	
C[C@@H](CCl)CN(CC(N)=O)CC(N)=O	1956255555	AIVZSMDKIFWQIE-LURJTMIESA-N	221.688	-0.866	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCC#N)CCC#N	1961231054	WWCSNGINRQVFMB-QMMMGPOBSA-N	209.253	-0.506	50	10	BBGE	
C[C@@H]1COCCN1c1nc(B(O)O)cs1	1961719200	ZOWQGSARKPDTHD-ZCFIWIBFSA-N	228.082	-0.952	50	10	BBGE	
C[C@H](CN(C)C1CCC(O)CC1)C(=O)NN	1976628606	FBHCEOISWHHJNB-XNWIYYODSA-N	229.324	-0.152	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C)CC(=O)NN)n1	1976740911	ASZDUINWMCVBQP-LURJTMIESA-N	227.268	-0.422	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNCc2nccn2C1	1978064473	AGIKZKMOSAXWJQ-QMMMGPOBSA-N	223.280	-0.805	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H](F)C1	1981422702	SFMVGDKCBNOIND-MRVPVSSYSA-N	224.044	-0.300	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CCC(F)(F)C(=O)NN	1984130581	VFJOLLHKCONSLA-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
CO[C@H](C)COCc1ccccc1B(O)O	1986048817	JTJYLADDDLWZFE-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
NNC(=O)C(=O)NC1CC2(C1)CC21CCC1	1986287668	TUXTZCBWBJSGBZ-UHFFFAOYSA-N	223.276	-0.185	50	10	BBGE	
CCN(CCF)c1ncc(B(O)O)cc1F	1986592176	MHBNWXNZGABNBY-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
NC(=S)NNC(=O)[C@]12CCCCN1CCC2	1986980256	PQXZPTWJQLYGGM-SNVBAGLBSA-N	242.348	-0.131	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)[C@@H](C)CC(=O)NN	1988556829	JFOIPUGDTXOIGE-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@@H]2COC[C@H]21	1989708961	FFJIZSQPQYIUTN-RNFRBKRXSA-N	248.666	-0.439	50	10	BBGE	
C=C(CN(C)[C@@H](C)CCS(C)(=O)=O)B(O)O	1992160513	XJMIAZSWCLLQEL-VIFPVBQESA-N	249.141	-0.690	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1[C@H]2COC[C@H]1C2	1992317542	ZSXDFHIKDFZXAE-IWSPIJDZSA-N	227.308	-0.136	50	10	BBGE	
O=C(CC(F)F)Nc1ccc(B(O)O)cc1	1992776951	ZNYWMDWLOFPUHA-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)cc1	1992836354	MIHMZSWQMDKECH-UHFFFAOYSA-N	223.012	-0.421	50	10	BBGE	
Cc1cc(N2CCC(F)(F)C2)ncc1B(O)O	1995699465	DXFQQHXRCDJLMS-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)C[C@H](C)C1	1997243115	DKFLUFVROHQNCW-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2001834742	IJSTXJJUWWJNDH-QPJWQJBDSA-N	239.319	-0.421	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@]2(CCOC2)C1	2002822024	GNPPMMPUUUJBAF-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCC(F)(F)[C@H]21)C(=O)C(=O)NN	2004123405	DKVDEMUGLKETQW-RRKCRQDMSA-N	247.245	-0.274	50	10	BBGE	
CC[C@@H](COC)N(C)c1ncccc1B(O)O	2004930806	WRUQBFRXVFACGZ-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCOC2)ccc1F	2005060737	NAQWQUKGPAJKAI-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
C[C@@H](CCOc1ncccc1B(O)O)N(C)C	2008232545	DVUISEFCXITQNL-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	2009520137	IRJJFQBVECDPSR-DTWKUNHWSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H]2CCCCC[C@@H]21	2017526066	YZABINHQGOAFCT-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
CO[C@@]1(C)CCN(CC(=O)NN)C[C@]1(C)OC	2022150085	QPTSZIQLDMWGJS-QWRGUYRKSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC(CO)C1	2031671549	FUMGGNMBGAXXOT-UHFFFAOYSA-N	249.314	-0.357	50	10	BBGE	
CN(C)[C@@]1(C)CCN(c2ccncc2B(O)O)C1	2052466955	LNVBXEIEXGJJCO-LBPRGKRZSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@@H]3C[C@@H]32)n1	2052620560	VLECRICEWMCDQF-WCABBAIRSA-N	247.107	-0.300	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]3CNC[C@H]32)CC1	2054043694	FCRRXYPIPDFZOH-GMTAPVOTSA-N	249.314	-0.281	50	10	BBGE	
CCOc1cc(B(O)O)cc(C#N)c1OC	2060203010	SPNJLJXAWMWMFA-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CC(C)=C(C)Cn1cnc2c(B(O)O)ncnc21	2072410014	UTIPXYBOEPENHS-UHFFFAOYSA-N	246.079	-0.138	50	10	BBGE	
CN(C[C@@H](O)c1cccc(O)c1)C(=O)NN	2210632922	MRHHELZCIJDTJN-SECBINFHSA-N	225.248	-0.059	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]2CF)c1	2212601578	PWYBRTHNLJZRHB-SECBINFHSA-N	224.044	-0.300	50	10	BBGE	
C[C@@H](O)[C@@H](C)Nc1nccc(B(O)O)c1F	2212605299	BJMIDGCRSSXZAT-PHDIDXHHSA-N	228.032	-0.918	50	10	BBGE	
CCON(c1cc(B(O)O)ccn1)C(C)C	2212615521	QHRYRGWTVCTTNH-UHFFFAOYSA-N	224.069	-0.072	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215776779	OVQPIQWELQPAKK-VGMNWLOBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@H](CO)C1	2215777020	QFGPVUFMRKMYJQ-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(N2CCC2)C1	2215777402	SKWPNLVZGIIPEY-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
CC[C@H](Oc1ncccc1B(O)O)[C@H](N)CC	2217171230	BZDFHOJUNYLGCB-ZJUUUORDSA-N	238.096	-0.344	50	10	BBGE	
OB(O)c1cnc(=NCCC2CCCC2)[nH]c1	2217171477	BCLCYRCHCLEWIQ-UHFFFAOYSA-N	235.096	-0.430	50	10	BBGE	
C[C@@]1(CO)CCCN1c1ccc(B(O)O)cn1	2217179072	GARFYWMKHPAMTD-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
COC(C)(C)[C@H](C)Nc1ccc(B(O)O)cn1	2217179676	AUDHXWVDSWWGGM-QMMMGPOBSA-N	238.096	-0.013	50	10	BBGE	
Cn1ccc(CNc2ccc(B(O)O)cn2)n1	2217179775	OECYUDDKJVLNPI-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
CC[C@@H](CCO)Nc1nccc(B(O)O)c1F	2217181150	NMFFLEYQRPGJRW-ZETCQYMHSA-N	242.059	-0.527	50	10	BBGE	
Cc1cnc(N2CC(CC#N)C2)cc1B(O)O	2217181614	SDBBVJCJQWRMCO-UHFFFAOYSA-N	231.064	-0.580	50	10	BBGE	
N[C@H]1C[C@H](CCNc2ncccc2B(O)O)C1	2217200303	JJTVCYBEDVFBSO-KYZUINATSA-N	235.096	-0.699	50	10	BBGE	
CC1(C)C[C@@H](N)CN1c1ccc(B(O)O)cn1	2217204684	NJTATUAEKHMRSG-SECBINFHSA-N	235.096	-0.923	50	10	BBGE	
O=C1CCCC(=O)N1Cc1cccc(B(O)O)c1	2220069133	YLHSSKXSVKCTQA-UHFFFAOYSA-N	247.059	-0.595	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCN2C2CC2)nc1	2223645599	XSIDRYOBXUVDNE-NSHDSACASA-N	247.107	-0.590	50	10	BBGE	
Cc1cnc(OC[C@@H]2NC[C@@H]3C[C@H]32)cc1B(O)O	2223649238	VXQMLCYSJDJCTF-NGZCFLSTSA-N	248.091	-0.943	50	10	BBGE	
Cc1cnc(N[C@H]2CCNC2(C)C)cc1B(O)O	2223651212	VWGGVIIWDNEQBO-JTQLQIEISA-N	249.123	-0.378	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)CCCCO1	2243349978	TYSJRYHVOKRSTR-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
CP(C)(=O)CNC(=O)c1occc1B(O)O	2243364834	CXUIUTRMGMNYRM-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1C(=O)C1(B(O)O)CCC1	2243365799	SHHMMZYMTAVUNK-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243383587	ZMXAHXRMBAOBCZ-KZVJFYERSA-N	227.069	-0.515	50	10	BBGE	
O=C(NN1CCCC1)c1cc(B(O)O)cs1	2243385837	PHXGUADIZRBWID-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)ncn1	2243396684	PNSQVUPTCRPUOF-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@H](C)CO1	2243397097	VMUNFUPRQPFGRJ-HXFLIBJXSA-N	227.069	-0.515	50	10	BBGE	
C=C[C@H]1CCCN1S(=O)(=O)CC(=C)B(O)O	2243411981	DLTSMMJFIIFKGR-VIFPVBQESA-N	245.109	-0.465	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC(O)C1	2243414899	KEYIEHFLSRVJOB-WXFYJTIXSA-N	227.069	-0.731	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243425666	ARQSIHSZSAOBLU-XGEHTFHBSA-N	227.069	-0.921	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2243426267	GDTWPZVDNKKGPS-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
CC(C)OCCNC(=O)c1coc(B(O)O)c1	2247734612	UHFOGLVKZGSFND-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C1CC1	2247735177	LHBJRHSGCMXHDA-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
CC[C@@H]1CCOCC[C@@H]1NC(=O)C#CB(O)O	2247748077	XJAUZJANPGUXGU-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
CC[C@@H](NC(=O)c1occc1B(O)O)C(F)F	2247755903	KGPXUUWIKCTSBK-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
O=C(N1CC[C@@H]2COC[C@H]2C1)C1(B(O)O)CC1	2247757618	QVKBYXJMVHDMTF-RKDXNWHRSA-N	239.080	-0.512	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1c(F)cccc1B(O)O	2247760514	JIQHXSBSMZTTJI-HTQZYQBOSA-N	241.002	-0.654	50	10	BBGE	
CCON(C)C(=O)c1cccc(B(O)O)c1C	2247761190	SHFCGYKYQGXCPJ-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247792970	VUQVSKJLIMZQAK-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247792975	VUQVSKJLIMZQAK-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
C=CCC[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796721	CBRNIGUPGDBAAK-GUBZILKMSA-N	241.096	-0.317	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCNCC1	2247796793	CUCZCIIIMAAFJZ-SZEHBUNVSA-N	240.112	-0.646	50	10	BBGE	
CC(C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247798381	SVVZLHIWHOVLOZ-YWVKMMECSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247798921	YIHPOFRGKAYBKY-AATLWQCWSA-N	241.096	-0.267	50	10	BBGE	
C=CCOCCCNC(=O)C1CC(B(O)O)C1	2247799580	FSWYAHSNTUHUPG-UHFFFAOYSA-N	241.096	-0.052	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247810336	WNKSHSRIFQGKJE-JGVFFNPUSA-N	235.052	-0.736	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H](CO)C(C)(C)C	2247810736	ZTQODTHIHSIQDP-IWSPIJDZSA-N	243.112	-0.285	50	10	BBGE	
CC(C)NC(=O)c1cc(B(O)O)cn1C1CC1	2247852923	CCYVUKLPSRVRHP-UHFFFAOYSA-N	236.080	-0.359	50	10	BBGE	
C=CCC1(NC(=O)c2coc(B(O)O)c2)CC1	2247855061	MUBZYSHVEDSZKX-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
C#CCN(CC#N)C(=O)c1ccc(B(O)O)s1	2247866294	JTAMCYPOSRIVMB-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(C(=O)C2(B(O)O)CC2)C1	2247872031	LNRWZZKTKGNRFE-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)C1(B(O)O)CCC1	2247879538	UJIHDRZNUZWCJX-SECBINFHSA-N	241.096	-0.074	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CO	2247886307	ALUKKBBRPOEPCF-YIZRAAEISA-N	241.096	-0.674	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2247887126	KNWUYUISHVVZPF-MBXMOIHESA-N	239.080	-0.752	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC[C@@H]1CF	2247894149	CSTCXZYHINZFFT-CIUDSAMLSA-N	245.059	-0.564	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898909	IOCZBAIPWVXJBA-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
N#Cc1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247900759	ZKHNTOXSZWBHGI-HTQZYQBOSA-N	231.020	-0.245	50	10	BBGE	
CN(Cc1cocn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905283	SZEULHBRACZVOZ-OCAPTIKFSA-N	238.052	-0.114	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)C1CC(B(O)O)C1	2247908958	CIKYGOZKXCVQJU-IRWNXEEJSA-N	238.096	-0.955	50	10	BBGE	
CC[C@H]1C[C@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248575100	DYLNOTRWLXPKPU-QUBYGPBYSA-N	241.052	-0.637	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](C1)[C@H]2O	2249568328	TZSSNHXSMVSNLN-KAMPLNKDSA-N	239.319	-0.685	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2253336428	YNWIZQPLFLXNJB-VQVTYTSYSA-N	248.038	-0.956	50	10	BBGE	
O=C(Nc1cccnc1F)c1cc(B(O)O)c[nH]1	2255467934	TYJBSBLTJPAIFY-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1ccoc1B(O)O	2255469072	KKAGVGLELMRHLB-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2nc[nH]c2c1	2255475565	ZKNPGOSSSZJYIK-UHFFFAOYSA-N	243.031	-0.806	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(F)cc1B(O)O	2255501462	QQPSITJYQKOBII-SECBINFHSA-N	249.050	-0.046	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C(=O)C[C@H]2C)c1	2255512562	BPAGSVDJWBFEQI-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1B(O)O	2255518054	ZEQFYCFSRXXKGJ-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCCC2(CC2)C1	2255552416	KTSYDORYFLYXCF-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(n2cccn2)C1	2255558862	JBAQRDXTYNFFEV-DTORHVGOSA-N	249.079	-0.481	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255669540	PRGSGBRWZLPUHD-DOWZNPNQSA-N	248.091	-0.531	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1cc(B(O)O)c[nH]1	2255681692	VUTXNQLQAWEAOL-UHFFFAOYSA-N	248.091	-0.387	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1ccc(B(O)O)cn1	2255721399	YJCHVTJIZYPINZ-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
C=CCN(C(=O)c1ccncc1B(O)O)C1CC1	2255729170	QPOPOORCBNADTM-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1n[nH]cc1B(O)O	2255762827	BDHKAVYCBFSRJE-CBAPKCEASA-N	249.079	-0.992	50	10	BBGE	
C=C=CCC(=O)N1Cc2ccc(B(O)O)cc2C1	2256638826	FOJFXCUOPABWRL-UHFFFAOYSA-N	243.071	-0.060	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164890	OFIXRPQBUZCUET-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375275	CMGZEIGZONTBEO-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@]21CO)[C@@H]1C[C@H]1B(O)O	2298377596	XLJJBYQHUFJJNT-UFFKNHFXSA-N	239.080	-0.874	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]1C2	2302050493	QRDRBTLWUIDIST-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
CCN(C(=O)CN1CC[C@H](B(O)O)C1)C1CC1	2303100429	ZSVWENFHYYAXOT-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](F)[C@H](CO)C1)C(=O)NN	2303421847	AUGQMENHQJWQFZ-IQJOONFLSA-N	247.314	-0.345	50	10	BBGE	
CC[C@@](C)(CN1C(=O)C[C@@H](C)C1=O)C(=O)NN	2303431971	OWCGQKUKBDIVCH-HQJQHLMTSA-N	241.291	-0.212	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@@H]3CC[C@H]2C3)nc1	2313382727	OYUNUAWUDXFZCY-UTLUCORTSA-N	248.091	-0.029	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@H]1N	2317167512	IHKGXNPUGWLNHC-GZMMTYOYSA-N	245.091	-0.979	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(F)c(F)c1	36948199	JNMFCFOLYTXOKP-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1ccccn1	49814174	LQDULWCDPPSYAY-LURJTMIESA-N	208.221	-0.810	50	10	BBGE	
NNC(=O)COCC(=O)Nc1ccccc1	58855725	FAOLYVBMXMNSCB-UHFFFAOYSA-N	223.232	-0.368	50	10	BBGE	
CCN(CC)CCC[C@@H](C)NC(=O)C(=O)NN	58861924	JSYXIZFVDFIJNX-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
CC[C@@H](OC[C@@H]1CCCO1)C(=O)NN	82463851	NVEUMRIUEMAWTN-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(N)CC1	82470845	LYFFUNPSWJDKNW-MRVPVSSYSA-N	200.286	-0.822	50	10	BBGE	
CC1(C)C(=O)NCCN1C(=O)NC(=O)CCl	82476164	YLYWSZJXJAJPMQ-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598441	PHHATSFRLVCSQH-JSXQXQAOSA-N	213.281	-0.648	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)C1=O	84691052	LGJJERQJAFFWEZ-UHFFFAOYSA-N	214.269	-0.486	50	10	BBGE	
CN[C@H](CN(C)C(=O)CCl)C(=O)O	142957870	IUHNUSRFOQXYED-RXMQYKEDSA-N	208.645	-0.644	50	10	BBGE	
O=C(CCCl)NC(=O)NN1CCOCC1	149612549	JSIKCHNXJYSXDV-UHFFFAOYSA-N	235.671	-0.312	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1CCS(=O)(=O)C1	157957462	ULAJUSMMPGDFEE-HTQZYQBOSA-N	241.740	-0.295	50	10	BBGE	
O=C(O)C[C@H](CNC(=O)CCl)C(=O)O	170313809	MMJDMIWSTIUZGY-SCSAIBSYSA-N	223.612	-0.483	50	10	BBGE	
NNC(=O)CCCCC[C@H]1CNC(=O)N1	205196100	MSWHKOUTOIRSOC-ZETCQYMHSA-N	214.269	-0.392	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\N(CCN)C(C)=O	216977283	VLRFUSJULAQDSY-NTMALXAHSA-N	238.291	-0.273	50	10	BBGE	
CSCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	226940012	NFDJBDGTEAXETG-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[S@@](=O)CCNC(=O)NC(=O)CCCl	229265530	XDQPTLTZWATQLD-CQSZACIVSA-N	240.712	-0.180	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)C1	232419418	GDONMKUPXJTPQG-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@H]1CCO	300020413	ONAJRWFDVAPTFE-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN(C)C(=O)CSCCCCC(=O)NN	300811799	HGERYAACWAIZBG-UHFFFAOYSA-N	233.337	-0.032	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)C(F)(F)F	306747500	KRDUWEYSOCZDKE-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
Cc1cc(B(O)O)cc(S(C)(=O)=O)c1	307154839	DGSAEEHQXRROGJ-UHFFFAOYSA-N	214.051	-0.922	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@H](Cl)[C@@H](O)[C@H]1O	307473452	VPDVIMQPZYMQKN-IECVIRLLSA-N	231.075	-0.074	50	10	BBGE	
CCCN([C@H]1CCOC1)[C@H](COC)C(=O)NN	310483372	DIVXOLDZMZXQFX-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CS(=O)(=O)CCOC(=O)NCCCl	379356082	NEIKYCPTBBDPNI-UHFFFAOYSA-N	229.685	-0.004	50	10	BBGE	
C[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	380500793	DOTKPYQQAZNBHW-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(COC)C1	381406873	WTKMFAUYHFWUEJ-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
CCN(CC)C(=O)c1cncc(B(O)O)c1	382743791	OIABTBVXZPISCF-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1COc2ccccc2C1	393279872	MGMIHCQUZLFBTC-QMMMGPOBSA-N	235.243	-0.904	50	10	BBGE	
N#CCc1cc(B(O)O)cc2nc[nH]c12	396088005	RYGHFMISUYPDRX-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C2COCC1COC2	399939153	SYETWQWWDTXVEO-UDNWOFFPSA-N	243.307	-0.755	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@@H]1CCCOC1	401408736	PVCUZPFTTOAZEI-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
O=C(NCB(O)O)Nc1cccc(F)c1	575597434	GIKQOLGJIJQECX-UHFFFAOYSA-N	211.989	-0.041	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584989427	ODYQJFXAJAWRMX-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
NNC(=O)CCCCN1CCCOCC1=O	688114717	IIGHGFLBBGFVPP-UHFFFAOYSA-N	229.280	-0.605	50	10	BBGE	
CC[C@@H](C)n1ccc(Cn2ccc(B(O)O)n2)n1	694271803	RWJJGEQYRSIFRA-SECBINFHSA-N	248.095	-0.221	50	10	BBGE	
CN1CC[C@@](O)(CNC(=O)CCCl)C1	702549468	IMWKYKXIYBKPDS-SECBINFHSA-N	220.700	-0.202	50	10	BBGE	
CN1C[C@H]2CN(CC(C)(C)C(=O)NN)C[C@@H]2C1	706963951	ZTJSCBJXBCHOEV-UWVGGRQHSA-N	240.351	-0.504	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1C[C@@H]1C(=O)O	715346713	YHWQAINOQGJERM-RITPCOANSA-N	201.226	-0.517	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ccn(C)n1	723523255	HDJGZJJGJGVVAZ-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
O=C(O)C(=O)CS(=O)(=O)CCl	725377125	ITXSPCQCKKUNQI-UHFFFAOYSA-N	200.599	-0.749	50	10	BBGE	
CC(=O)N[C]1CC=C(C(=O)N(C)N)S1	725655022	GJFWKICMRUGNLE-UHFFFAOYSA-N	214.270	-0.035	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1CCCOCC1	787887630	YXPQPPAVONYMIT-SECBINFHSA-N	243.307	-0.488	50	10	BBGE	
N#C[C@]1(C(=O)NNC(=O)C2CC2)CCCOC1	864443814	KKSOCPRPNUMVAM-LLVKDONJSA-N	237.259	-0.136	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cnn[nH]1	1293054431	GVDBFOHEEVPZKA-YFKPBYRVSA-N	222.208	-0.885	50	10	BBGE	
CCNC(=O)NNC(=O)c1nnn(C)c1C	1318815225	GWIBJTOJRRCWAE-UHFFFAOYSA-N	226.240	-0.913	50	10	BBGE	
CN(NC(=O)c1ccnc2[nH]nnc12)C(N)=O	1327210563	LBAPVXADHNUJEZ-UHFFFAOYSA-N	235.207	-0.992	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](CC(C)C)C(N)=O	1449272084	NLDKHZRYJIHERL-ZETCQYMHSA-N	245.279	-0.137	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@H](O)[C@@H](C)O	1454262624	FEXOUVYQTJBUBU-IQDDUSTRSA-N	228.248	-0.712	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)NC(C)C)c1O	1598216026	JKMNLZAADQYLFO-UHFFFAOYSA-N	241.251	-0.224	50	10	BBGE	
Cc1c(F)cccc1C(=O)NNC(=O)CO	1611094830	OKFWKMQYNHVFFE-UHFFFAOYSA-N	226.207	-0.113	50	10	BBGE	
COCCN(C)NC(=O)c1ccc(CO)nc1	1623890497	MHYGDOAYVXYYFL-UHFFFAOYSA-N	239.275	-0.203	50	10	BBGE	
O=C(NNc1ccncn1)c1ccc(O)nn1	1641044717	FEEPFSXINJKSTJ-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
CCOCCOCC(=O)NNc1ccn(C)n1	1648762706	HVLIHXBEIPIZBI-UHFFFAOYSA-N	242.279	-0.084	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(CO)CC(O)C1	1883300395	XLYJYYIPDFFKAZ-SDUJUNFKSA-N	207.657	-0.384	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@@H]1Cl	1883639547	NBIUCVPYWOKFQR-YOWKYNACSA-N	200.669	-0.052	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2NC(=O)O[C@@H]2C1	1884553533	JOAUMFOTQJQRFD-RRKCRQDMSA-N	215.640	-0.090	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1Cl)S(N)(=O)=O	1893470764	WKMOYRPJNOADKX-PBXRRBTRSA-N	240.712	-0.593	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)OC1=O	1893845695	KDHULTBNPSBDRM-ZCFIWIBFSA-N	215.253	-0.014	50	10	BBGE	
C=C(CN(C)C[C@@H](C)COC)B(O)O	1895148824	LTHLXLBBFUKOHW-MRVPVSSYSA-N	201.075	-0.231	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C(C(N)=O)[C@@H]2C1	1900558196	KGTVUHLCGHKOJF-HSUXUTPPSA-N	216.668	-0.197	50	10	BBGE	
C[C@@H](CO[C@H]1CN2CCC1CC2)C(=O)NN	1901439852	KOWIMPWYRWLRRH-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
Cn1cc(CN2CC[C@@](C)(B(O)O)C2)cn1	1902516509	CEDZGADZFBSVOH-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
CN1CC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1902520693	DCKCVSJRHCCWSS-DTWKUNHWSA-N	226.085	-0.987	50	10	BBGE	
OB(O)[C@H]1CCN(CC23COCC(C2)C3)C1	1902545115	FTGLDNFMFAISOV-YVNMAJEFSA-N	225.097	-0.038	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)C[C@@]12CCOC2	1905724505	HAADLDRGSNRYHN-VAOFZXAKSA-N	239.275	-0.996	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1CNC[C@@H](O)C1	1909294715	CRFWTLHJSUJEPZ-KHONBHQKSA-N	232.711	-0.157	50	10	BBGE	
CC1(C(N)=O)CN(C(=O)NC(=O)CCCl)C1	1914232960	YAUDFAPCPJZHHC-UHFFFAOYSA-N	247.682	-0.341	50	10	BBGE	
COCC1CN([C@H](CC(C)C)C(=O)NN)C1	1916281038	GYAPQFIFCFVFOC-SNVBAGLBSA-N	229.324	-0.031	50	10	BBGE	
Cc1nc(SCCOCC(=O)NN)n[nH]1	1928179375	PFASKCOJVUZJFY-UHFFFAOYSA-N	231.281	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1928556863	NPNKMJHXQPWAQB-MRTMQBJTSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](CCl)CN1CCOC[C@@H]1[C@H](O)CO	1928574116	RXTCNVTXUJTBLB-OPRDCNLKSA-N	237.727	-0.085	50	10	BBGE	
COC[C@@H](N=c1[nH]nc(CCl)o1)C(N)=O	1932161511	JXTOQJZXXBJSAI-SCSAIBSYSA-N	234.643	-0.858	50	10	BBGE	
COC[C@H](OC1(C)CCOCC1)C(=O)NN	1937020494	DUOUOPIWLZHSBB-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
CN(C(=O)Cn1cnnn1)[C@H]1COC[C@H]1Cl	1937159800	MMXWJILJKJHFNN-RQJHMYQMSA-N	245.670	-0.862	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)Cn2cccn2)C1	1937195059	WZEWIIANWGZCHP-IUCAKERBSA-N	242.710	-0.079	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1937477364	KZEXMYASGGLZJO-AEJSXWLSSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)COCCSc1cc(N)ccn1	1938853488	LRDUKBVIGMPKAS-UHFFFAOYSA-N	242.304	-0.238	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)C[C@@H]1C	1939637811	JTHZMWKFIGYMLH-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941093844	IVUYSLGMZIXKCE-DTWKUNHWSA-N	242.323	-0.978	50	10	BBGE	
COC1CC(CN(C)CCOCC(=O)NN)C1	1941779406	CGRKDEWWPFGCLC-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@@H]1C1CC1	1941780517	QFYCHLUBZGDBHM-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)COCCN1CC[C@@]2(CCCO2)C1	1941780924	VTJXPKUJILNHHX-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2OCCO[C@@H]2C1	1944743052	ABOWJCSJXCWTCI-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCOC12CCCC2	1949414054	AOPVXHRKUNVXAL-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
O=C(CCl)N1C[C@H]2COC[C@@H](C1)C2O	1956501644	QOCGQZAUZCJFER-AVSFMBPQSA-N	219.668	-0.309	50	10	BBGE	
CN(CC1(F)CCCC1)C(=O)C(=O)NN	1960453074	STJHXWMBPNBQDI-UHFFFAOYSA-N	217.244	-0.283	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCC1(C(=O)NN)CC1	1960619488	YZPKUZMZIITCQM-HNNXBMFYSA-N	234.325	-0.669	50	10	BBGE	
COCCN(CC(=O)NN)[C@H]1CCSC1	1961271472	SGTCALWZDAQZII-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1[C@H](C)CC(=O)NN	1961553736	PLLMYGBTWNUNKH-VGZKNDNBSA-N	233.337	-0.792	50	10	BBGE	
Cc1nc(O[C@H]2C[C@@H]2C)ncc1B(O)O	1961694987	XFBXFOBRMWEDIW-XNCJUZBTSA-N	208.026	-0.748	50	10	BBGE	
C=C(CC)Cn1cc(B(O)O)ccc1=O	1975100274	BLEOEXSZFUAYKQ-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
C=C(Cl)COc1nc(C)ncc1B(O)O	1975113978	BDOPENJBXWGUOB-UHFFFAOYSA-N	228.444	-0.404	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)C(F)F	1975172308	YZYOWJHBCLHQBE-PHDIDXHHSA-N	225.239	-0.423	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1976214319	ZGSRCYFCCFKXPM-VIFPVBQESA-N	230.287	-0.907	50	10	BBGE	
CSCCOCc1c(C(=O)NN)cnn1C	1980592743	JMTKUVBNTMKNPN-UHFFFAOYSA-N	244.320	-0.097	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1	1982246500	VWZQMDVRDMGIIU-CIUDSAMLSA-N	242.710	-0.639	50	10	BBGE	
CN(C)CCOCc1csc(C(=O)NN)n1	1982819449	RKTQPJLTRIZFDD-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1[C@H](C)O	1990042048	ZTHUGICCZFMSJJ-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(CC2CC2)C1	1990775114	RGEGPYIBQFJLIK-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
O=C(O)CN1CC[C@H](NC[C@@H]2C[C@H]2Cl)C1=O	1991439614	UCFQTKDQJGSGKK-RNJXMRFFSA-N	246.694	-0.111	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(CSC2)C1	1992154038	VBMDLIMRWIJWOV-UHFFFAOYSA-N	239.105	-0.739	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2COC[C@H]2Cl)COCCO1	1992638588	MISQYBKKBWGMSU-KHQFGBGNSA-N	249.694	-0.086	50	10	BBGE	
CN1CC(COc2ccc(B(O)O)cc2)C1	1992757036	XSMOYDLUUYWOEU-UHFFFAOYSA-N	221.065	-0.693	50	10	BBGE	
CC[C@]12CO[C@](CNC(=O)C(=O)NN)(C1)C2	1994650749	XEVIHEWRQUEHCH-AOOOYVTPSA-N	227.264	-0.948	50	10	BBGE	
CCNC(=O)C1CN([C@H](C(=O)NN)C(C)C)C1	2002652355	OOVAIWHLMDLURD-VIFPVBQESA-N	242.323	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@@]1(C)CO	2003269395	WGDBYDWYJZIFQX-ATZCPNFKSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N2CCCC2=O)C1	2004407029	ISPQDDIKBODKCX-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
CN(Cc1nccs1)c1ccc(B(O)O)cn1	2004911765	KOZHAEZZDSJJMB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1ccnc(N2CC(CCF)C2)c1B(O)O	2004919494	ZPSUZXJDAZNDBS-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
Cc1nc(N2[C@@H](C)CC[C@H]2C)ncc1B(O)O	2004972239	CBEZSLSAGTTYHK-OCAPTIKFSA-N	235.096	-0.158	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2006093501	GEHPMYVEFBXNHZ-FNCVBFRFSA-N	239.275	-0.952	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006198807	MVHGBCUYRPJHKN-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
Cc1cnoc1C(=O)N[C@H]1CCC=C1B(O)O	2020061771	KRONLJLOVOFCDG-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1nc(C(=O)NN)co1	2023145550	WPDBTSPPJXMOHO-ZETCQYMHSA-N	240.263	-0.767	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1ccncc1B(O)O	2025753918	RGFWXWJAZBPUBJ-LDYMZIIASA-N	238.071	-0.054	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@]2(C)C1	2050241642	BAYGNEGUBWIIEP-PRHODGIISA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2071024945	CRPOCQKZAKWVNF-RPQMDJCFSA-N	246.075	-0.563	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CCC[C@@H]21	2211141897	YVGUMXVDOFXSDQ-XCBNKYQSSA-N	238.121	-0.193	50	10	BBGE	
COC(=O)N(C)Cc1sc(C)cc1B(O)O	2211917064	CJNXRKSKGQDQHR-UHFFFAOYSA-N	243.093	-0.065	50	10	BBGE	
C#CCSCCNc1ncccc1B(O)O	2212601972	WSHCQSMOGMFWCF-UHFFFAOYSA-N	236.105	-0.460	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](F)C[C@@H](O)C1	2215775501	HHRBCOZPMQIUST-UTINFBMNSA-N	245.298	-0.593	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215776373	MKKSUBUVMBIRLJ-HOSYDEDBSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)C1(CN2CCN3CC[C@H]2C3)CCC1	2216486999	CTUXGDOVTRHICB-JTQLQIEISA-N	238.335	-0.464	50	10	BBGE	
C[C@H](O)C1CN(CC2(C(=O)NN)CCCC2)C1	2216873016	VGGMRIHCJYJFTD-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CCN(C[C@H](C)C#N)c1cc(B(O)O)ccn1	2217172787	MMDORXCMRZVRSY-SECBINFHSA-N	233.080	-0.253	50	10	BBGE	
CC(C)[C@@H](Oc1ccc(B(O)O)cn1)[C@@H](C)N	2217183108	FPYHGFYQCXKZCC-LDYMZIIASA-N	238.096	-0.488	50	10	BBGE	
CC[C@@H](C)[C@H](CN)Oc1ccc(B(O)O)cn1	2217187693	CKXTVLAWHJEZEG-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
NCC[C@H](Oc1ccc(B(O)O)cn1)C1CC1	2217187858	FZLASNYRTCKQGD-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
CCO[C@H]1C[C@H](Nc2ncc(B(O)O)cn2)C1	2217201368	DIXGVTUYJUVVIM-KYZUINATSA-N	237.068	-0.864	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2CC3CC2C3)n1	2222319038	ZUJWJDXINCKNMB-UDNWOFFPSA-N	248.091	-0.110	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccnnc2O)CC1	2222510535	MQDWGHXDDGYCDQ-UHFFFAOYSA-N	248.242	-0.327	50	10	BBGE	
CN1CCC[C@@]1(C)CNc1ncccc1B(O)O	2223626317	HMMZBYQYUZFDPS-LBPRGKRZSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCCCN[C@H]32)nc1	2223640685	YFYRGRFNFFSDDX-MVWJERBFSA-N	247.107	-0.686	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncccc1B(O)O	2223669362	IWOHYWOERMLORA-ILWJIGKKSA-N	247.107	-0.780	50	10	BBGE	
CCC[C@@H]1CNCCN1c1ncccc1B(O)O	2223851922	ZPOBUBQRABXZOX-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
CC1(C)OCCN(C(=O)NN)[C@@H]1CO	2241482637	IZESKWKTVXQNPZ-ZCFIWIBFSA-N	203.242	-0.959	50	10	BBGE	
O=S(=O)(CCl)NCC1(O)CSC1	2241500746	LXBIEZZSPITNCX-UHFFFAOYSA-N	231.726	-0.420	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC(F)F	2243349684	OYHYDKMPVFTSJP-UHFFFAOYSA-N	232.979	-0.737	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1csc(B(O)O)c1	2243361947	JPAWLEFCIIFJNG-HTRCEHHLSA-N	239.105	-0.092	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(N)cc1	2243401049	LKAWLMOLJDPHGO-UHFFFAOYSA-N	218.021	-0.753	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2243401817	XEXWFJDJPGPNNB-NKWVEPMBSA-N	223.037	-0.512	50	10	BBGE	
C#CCC1CN(C(=O)C2(B(O)O)CCC2)C1	2243409158	CBMYPCCTMCGJKG-UHFFFAOYSA-N	221.065	-0.135	50	10	BBGE	
C[C@@H]1NCCC[C@H]1NC(=O)C1(B(O)O)CC1	2243409281	FKRRQSDKHMZBSU-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1CO)C1(B(O)O)CCC1	2243410688	GGSMATNFSREKOA-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC(O)CC1	2243413250	CEFTVMQXTKGBLV-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCS[C@H]2CC[C@@H]21	2243427658	YQMSJUKIEWUKLB-XGEHTFHBSA-N	241.121	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H]2C1)B(O)O	2243433156	IRMPGWUBXJMUMZ-BRPSZJMVSA-N	245.109	-0.728	50	10	BBGE	
C=CC[C@]1(CO)CCN([C@H](C)C(=O)NN)C1	2244832977	LFEOSOHMVVWGIZ-KOLCDFICSA-N	227.308	-0.375	50	10	BBGE	
O=C(O)C[C@@H](CC(=O)NCB(O)O)C1CC1	2245267798	PLKQGCBTMJLHCP-SSDOTTSWSA-N	229.041	-0.994	50	10	BBGE	
CN1CC2(CN(C[C@H](O)CCl)C2)OCC1=O	2245327835	YZDAGAHBLAJHGF-MRVPVSSYSA-N	248.710	-0.871	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247740742	OTMLTRSWHVLLTP-QMMMGPOBSA-N	237.064	-0.170	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC2(CC2)CO1	2247742360	NSCAIDYPHHAZGF-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)C1(B(O)O)CCC1	2247755123	GVODDFWHGKULFS-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)C1(B(O)O)CC1	2247756086	MCBFJEIGEOZVLK-KCJUWKMLSA-N	238.096	-0.606	50	10	BBGE	
O=C(NCCCCC1CNC1)C1(B(O)O)CC1	2247758626	VVXFWJYIXYRBSF-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
CC(C)CN(C(=O)C1(B(O)O)CC1)C1CNC1	2247758742	XCNNKBHETPSGGR-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247759263	ZMCXABRPVQTMTF-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CCCN(C(=O)c1n[nH]cc1B(O)O)C1CC1	2247781088	IDPHVCBOEDGVIS-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](O)C1)C1CC(B(O)O)C1	2247797318	ILNIEBUJSTXMMX-HORUIINNSA-N	241.096	-0.341	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C(=O)[C@H]1C[C@H]1B(O)O	2247798834	XODRLKFXLUBCGR-KZVJFYERSA-N	245.059	-0.565	50	10	BBGE	
CNCC[C@@H](C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808602	VNCCVHGCIMWGMW-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
COCCCCNC(=O)c1ccc(B(O)O)o1	2247842510	WAAGOKFXMGFUSM-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2COCC[C@@H]21	2247848817	QVHNOOSVLRZCGT-UWVGGRQHSA-N	237.064	-0.971	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2247851041	VTJQQIZFMJDRHM-CHWFTXMASA-N	235.092	-0.248	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CC2)CCOCC1	2247855730	XIRSJEPIFXOHIY-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247860674	ZROOWVQVZHRSJB-WOOKNIGNSA-N	243.112	-0.239	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(C)(F)C1	2247868815	YRJQDYKYKDYZIV-UHFFFAOYSA-N	241.027	-0.548	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)C1(B(O)O)CCC1	2247879365	TZTWGVXQMDRCPE-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247887260	MGGGXSCKULMYFL-ZOZBQHSOSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894261	DZHDBTPRNKARLK-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
COC1(CCNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247897908	YJCXVQCHXVKSNH-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2247903768	MOHUDZPXDFUYBW-BMNUFHGDSA-N	240.112	-0.552	50	10	BBGE	
CN1CCC[C@H](N2CCC(B(O)O)CC2)C1=O	2249377315	DGUNBTNVVNLJFJ-JTQLQIEISA-N	240.112	-0.454	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(C2CC2)C1	2249406500	DQCUYJFPBZZOQZ-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)co2)CC1	2249429725	KHTCWRGDVNDDRS-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1cc(B(O)O)co1	2249430706	PACNDYFTQIFDFT-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2ccoc2B(O)O)C1	2255463802	NIRKGTWJWOGWCZ-BDAKNGLRSA-N	247.059	-0.509	50	10	BBGE	
C=C1CC(NC(=O)c2cn(CC)c(B(O)O)n2)C1	2255472342	BIJNGVNDBWZTTQ-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@H]2C[C@H]21	2255511657	NAVMZGSLEIPRNC-GXSJLCMTSA-N	245.087	-0.091	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(C)CCC#N)c1	2255512156	VUAMCPARGZPYII-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCCCC#N	2255513231	NIPXYBQKZRHOPC-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
C=C1CCC(NC(=O)c2n[nH]cc2B(O)O)CC1	2255550660	YRAMVEVWACXMES-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1cc[nH]n1	2255682052	AZFDBMRSIFVNOS-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cc1F	2255718495	AFQNXIZKBWNTQA-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
Cc1cc(CNC(=O)c2occc2B(O)O)co1	2255740796	GHRZOTXMRVBCBG-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C(C)(C)C	2258143326	RTODWXVLKCXPHR-JTQLQIEISA-N	249.075	-0.263	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@H]1CN	2298370320	VRFVOZASWJOWBD-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@]1(C2CC2)CCOC1)[C@H]1C[C@H]1B(O)O	2298375320	FJMZIKWFYBVWMR-NGZCFLSTSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncccn1	2298376149	KEFKYKWBMGLKFW-PRJMDXOYSA-N	235.052	-0.483	50	10	BBGE	
Cc1cc(N(C)C[C@H]2CCO2)ncc1B(O)O	2302410628	MSBLZRZPPQXRRJ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CCN(CC)CC(=O)N1CC[C@@](C)(B(O)O)C1	2303114567	MOQSEWGANHGZPH-LLVKDONJSA-N	242.128	-0.206	50	10	BBGE	
CC(F)(F)CCN=c1cc(B(O)O)c(F)c[nH]1	2303848309	XJLMYFRQDMROLN-UHFFFAOYSA-N	248.013	-0.220	50	10	BBGE	
CC[C@H](CN)COc1cc(B(O)O)c(F)cn1	2303853820	YBKLUEPJXBSSNB-SSDOTTSWSA-N	242.059	-0.736	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2313082815	AZHBMGAGIQMISL-PJFCORBGSA-N	247.059	-0.560	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1c1ccc(B(O)O)cc1C#N	2317151578	SFYMDMYXPWMRJI-PELKAZGASA-N	246.075	-0.802	50	10	BBGE	
CCC#CC(=O)N1CCc2cccc(B(O)O)c21	2319240374	LLPKHQSYBPTYKT-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2O[C@H]3CC[C@H]2C3)c1	2327591344	ICFAWUZAUQSCNB-INTQDDNPSA-N	248.091	-0.259	50	10	BBGE	
Cc1nn(C(=O)N[C@@H](C)[C@@H](C)Cl)c(=O)n1N	82311331	YFZJCYNLJKMFBG-UHNVWZDZSA-N	247.686	-0.359	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@H]1C	82467555	QAAFCYCRBWDMNS-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN(C)CCO	82468873	YDOAWEWCULFCQK-UHFFFAOYSA-N	227.264	-0.384	50	10	BBGE	
C[C@@H](CN(C)Cc1nccn1C)C(=O)NN	82469279	QNWPTBADHZKAFY-QMMMGPOBSA-N	225.296	-0.522	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1CC(O)C2	82598432	VJBORNUOAFSBDS-JVHMLUBASA-N	213.281	-0.646	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSCCCO)O1	85164573	MIOKWIXZFYCFIL-HTQZYQBOSA-N	234.321	-0.361	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cc(C(N)=O)cn1	86313804	HJLBEPKLIOKYEO-WDSKDSINSA-N	225.252	-0.831	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NN1CCN(C)CC1	149612162	IDUYGULCUXJPDL-SSDOTTSWSA-N	248.714	-0.398	50	10	BBGE	
O=C(O)[C@]1(O)C=C(Cl)[C@H](O)[C@@H]1Cl	197480081	CZIFEXXXNORKKJ-FKZODXBYSA-N	213.016	-0.093	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)OC[C@@H]1C)C(=O)NN	216472868	BZUFJQRVAXXRAG-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CN(CCO)C1CCC1)C(=O)NN	228568907	PYXGKDXVWYOXAN-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCOC(=O)CC(=O)NNC(=S)NC	232600383	YFEGTPKXCOSWCT-UHFFFAOYSA-N	219.266	-0.935	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	251557735	PUXHONAHSXCLBC-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
N#C[C@H](O)c1ccccc1N1CC(=O)NCC1=O	260643892	PNOKXCOHCPSVOL-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCCN(C(=O)NN)C1	306467549	MFECYEMDALWRIB-ZCFIWIBFSA-N	221.282	-0.921	50	10	BBGE	
C[S@](=O)N1CC[C@@H]2C(=O)OC(=O)[C@H]2C1	306813944	ANOWSSJOKQBACM-BUZALDEHSA-N	217.246	-0.699	50	10	BBGE	
O=C1NCN[C@@H]2C[C@@H](Br)CN[C@@H]12	306962116	BUILLGUUARROIS-HSUXUTPPSA-N	234.097	-0.843	50	10	BBGE	
Nc1cc2sc(O)cc2cc1B(O)O	307088253	MMEVILJXEYFPKK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(C)c1nn(C)c2ncc(B(O)O)cc12	309154374	NJSKBCIZXYIRPY-UHFFFAOYSA-N	219.053	-0.229	50	10	BBGE	
CC(C)C1(O)CN(C[C@H](C)C(=O)NN)C1	383947396	BFZLZGJOSJRJFY-QMMMGPOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@]1(C)CN	390055941	NLLLCYQHAANDPZ-ONGXEEELSA-N	228.340	-0.327	50	10	BBGE	
Cc1nn(C)c2c1C[C@H](NC(=O)NN)CN2	390335581	LHQKMYVYOCOSMZ-LURJTMIESA-N	224.268	-0.762	50	10	BBGE	
NC(=O)NNC(=O)c1cc([N+](=O)[O-])cs1	395001997	QGBZRAUJJOKXJS-UHFFFAOYSA-N	230.205	-0.031	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](O)C1	395593926	NYNFQCWDXPDYCP-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCO[C@H](C#N)C1	395700548	HPXOGISKXSZTKD-RKDXNWHRSA-N	240.307	-0.385	50	10	BBGE	
CC[C@@H](SC[C@@H]1CN(C)CCO1)C(=O)NN	400778723	OKPYJIDGGPGSTJ-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCCO)C1CC1	404264977	ZLXFMAZKMWBWAZ-JTQLQIEISA-N	229.324	-0.008	50	10	BBGE	
COC(C)(C)C(=O)Nc1ncc(B(O)O)s1	405002443	OAFQRTVNJCRQRA-UHFFFAOYSA-N	244.081	-0.814	50	10	BBGE	
COCCC(=O)Nc1cc(C)ccc1B(O)O	405038831	VMRMHZXVJNCNCC-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
CCCNC(=O)CN1CCC(O)(C#N)CC1	692091295	PYUSQTUIRSYDGO-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(C#N)C1	693997483	KVYDYUKWFVFSSQ-WCBMZHEXSA-N	226.280	-0.773	50	10	BBGE	
N#CCc1ccc(Cn2cc(B(O)O)cn2)cc1	694530493	GEYCVXGLUOJYLF-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)cn2)O1	694562382	AEVBQEAMMWXHCD-IONNQARKSA-N	210.042	-0.870	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@](C)(C2CC2)C1	694832210	CQCLOXKQYZNARU-LDYMZIIASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCCCN1CC(N2CCCC2)C1	697798208	HIZPEUNOLWWBNE-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)C[C@H]1CO	698216029	RUGMIJQASPCKQL-WDSKDSINSA-N	209.629	-0.253	50	10	BBGE	
C[C@@H](Nc1nc(N)nc(CCl)n1)[C@@H](O)CO	698945344	VUTOLEQSYAFTRM-UHNVWZDZSA-N	247.686	-0.654	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)O	721772103	VMBISQAKMINGJO-GJMOJQLCSA-N	227.264	-0.175	50	10	BBGE	
CC1CCN(CCn2ccc(B(O)O)n2)CC1	723480345	HTRCUQHGTAIGHV-UHFFFAOYSA-N	237.112	-0.705	50	10	BBGE	
CC(C)=C(C)C(=O)NNC(=O)[C@H]1COCCO1	751409420	YFLNOLFRNPLNJD-SECBINFHSA-N	242.275	-0.095	50	10	BBGE	
CCNC(=O)N(C)N=Cc1cnc(N)nc1N	842529791	ALAJMPOQDBWNNR-UHFFFAOYSA-N	237.267	-0.364	50	10	BBGE	
O=C(COc1ccc(B(O)O)cc1)C1CC1	863866353	SSEFXVYJBQCBBW-UHFFFAOYSA-N	220.033	-0.276	50	10	BBGE	
C=C(CCN(C)C)C(=O)NNC(=O)NC	900353323	QUGXQMMKKBCCTF-UHFFFAOYSA-N	214.269	-0.546	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2)C1CC1	929231198	DCWUFRSMRFBVLD-HRDYMLBCSA-N	222.244	-0.113	50	10	BBGE	
Cc1cn(C)nc1C(=O)NN(C)C(N)=O	1466167924	PTVDITFSZSXBIF-UHFFFAOYSA-N	211.225	-0.616	50	10	BBGE	
COC(=O)CC(=O)NNc1nccc(OC)n1	1624412944	VSBXDOYOZMANLG-UHFFFAOYSA-N	240.219	-0.509	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](C)C#N)nc1O	1649396898	YEBWDZGLMIBMPX-BYPYZUCNSA-N	222.208	-0.512	50	10	BBGE	
O=S(=O)(CCCl)c1nccnn1	1880912314	JRLIXLHUCUKWGD-UHFFFAOYSA-N	207.642	-0.116	50	10	BBGE	
COC(=O)[C@@H](O)CNC1CC(Cl)C1	1881718438	GLXDTQZRSLZGOD-AHXFUIDQSA-N	207.657	-0.120	50	10	BBGE	
O=C(N[C@]1(CO)C[C@H](O)C1)OCCl	1883671492	XHEMZGNNMVLLHF-IAQIWYKVSA-N	209.629	-0.205	50	10	BBGE	
C[C@H](OC1CC2(COC2)C1)C(=O)NN	1885765595	RAUNIOZRHHXZOL-LURJTMIESA-N	200.238	-0.440	50	10	BBGE	
O=C(NOCCCl)[C@H]1CCS(=O)(=O)C1	1888299658	ABVHSMXYMWKMED-LURJTMIESA-N	241.696	-0.292	50	10	BBGE	
NCC1(C(=O)NC[C@H]2C[C@@H]2Cl)COC1	1893107300	LMDAYMIWKKNXOH-RQJHMYQMSA-N	218.684	-0.295	50	10	BBGE	
C=C(CN1C[C@H](F)C[C@@H](F)C1)B(O)O	1895168750	CGSRNCPDGIHDFX-HTQZYQBOSA-N	205.013	-0.064	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CSC2CNC2)O1	1896929473	OPSGSKXBFDSAQP-CBAPKCEASA-N	245.348	-0.381	50	10	BBGE	
CC[C@](C)(CN1CCO[C@H]2C[C@@H]21)C(=O)NN	1902715869	LOLOBVHTMGMTEW-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)N(C)C1CN(C(=O)NC(=O)CCl)C1	1905293593	OHKLEMJLNYRQGT-UHFFFAOYSA-N	247.682	-0.376	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H](C)C1	1906028472	PDHGOGXSILHPMY-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@]1(C)C(=O)O	1912442004	POXBWXINCKDBES-QMMMGPOBSA-N	201.226	-0.278	50	10	BBGE	
Cc1cc(C(=O)Nc2ncccc2B(O)O)no1	1913664296	RKSNZTYQBDENJX-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Cc1ccccc1O)NNCCO	1929836976	SBYFZTITFYEMEZ-UHFFFAOYSA-N	210.233	-0.452	50	10	BBGE	
CC(C)(C(=O)NNCCO)[C@@H]1CCCO1	1930214664	YYOIHSSCIHMGAQ-QMMMGPOBSA-N	216.281	-0.195	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2OCCO[C@@H]2C1	1930246966	KCZXKPQJZTYTSD-IWSPIJDZSA-N	221.684	-0.314	50	10	BBGE	
CCOCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936092586	VJXKYWRASRRRMZ-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CCc1nc(SCCOCC(=O)NN)n[nH]1	1936536528	WSDDXKJYTNKYDQ-UHFFFAOYSA-N	245.308	-0.534	50	10	BBGE	
CN(C(=O)Cn1cncn1)[C@H]1COC[C@@H]1Cl	1937146730	RSJDAUAQURSPIF-YUMQZZPRSA-N	244.682	-0.257	50	10	BBGE	
CN(Cc1ncccn1)C[C@@H]1C[C@@H]1C(=O)NN	1941084936	ARKJFBIRDMWBNA-IUCAKERBSA-N	235.291	-0.466	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941085666	DZVVNGQHHRJRLX-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@H]1CCCO1	1951072460	POZPYJREPKLCGW-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
NC(=O)[C@@H]1CCN1C[C@H](O)CBr	1953619100	ZOJSOBUHKLXMSI-RITPCOANSA-N	237.097	-0.698	50	10	BBGE	
OC1CN([C@H]2CCN(CCCl)C2)C1	1954405664	PQEJHKABQVKMMS-QMMMGPOBSA-N	204.701	-0.024	50	10	BBGE	
OC[C@@]1(O)CCN(CCOCCCl)C1	1956252926	WFWHWKMGXOSARV-SECBINFHSA-N	223.700	-0.329	50	10	BBGE	
O=C(NCCCl)C1[C@H]2CS(=O)(=O)C[C@H]12	1957253897	QEYFHGPTFQLCAK-WDSKDSINSA-N	237.708	-0.368	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCc1nn[nH]n1	1957305423	CQTZGPOXWBFQSE-RXMQYKEDSA-N	217.660	-0.124	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1N(C)CC(=O)NN	1960265672	HWESLEXYAFQQGM-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	1961815375	OAADZJLMVBSYRM-DMHSOCPYSA-N	209.249	-0.863	50	10	BBGE	
NNC(=O)CN1C[C@H](C(F)(F)F)CC1=O	1962282969	CPPILHKYAYQIEB-SCSAIBSYSA-N	225.170	-0.613	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cc(B(O)O)ccc1F	1962944744	TWPGTMBLGBRLSC-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(c1ccnn1C1CC1)N1CC[C@@H](B(O)O)C1	1967587327	OXEGDIQJDAXEEC-MRVPVSSYSA-N	249.079	-0.093	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cccc(B(O)O)c1	1970329163	MMCZEDHHPWCSNW-LBPRGKRZSA-N	245.087	-0.102	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1975355231	JBBMJNYDRRIZDZ-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
CC[C@@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	1976979700	OSFRWNPOJXATAU-PHDIDXHHSA-N	232.045	-0.990	50	10	BBGE	
C[C@H](C(=O)NN)N(C[C@H]1CCOC1)C1CC1	1980760563	UZCFDDYWLCFCFU-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1CCCCC(=O)NN	1981192361	QTALXOGOCGKRHZ-XXFAHNHDSA-N	247.364	-0.401	50	10	BBGE	
C=CC[C@H](C)Oc1ncc(B(O)O)c(C)n1	1981424040	MZZRFPGVBWCXOC-ZETCQYMHSA-N	222.053	-0.192	50	10	BBGE	
CC[C@@H](COC)Oc1ccc(B(O)O)cn1	1981429820	IEGOPVHMMNLGSE-VIFPVBQESA-N	225.053	-0.435	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)[C@@H]2C)n1	1981468822	IRJRTOWLFQDDDY-RQJHMYQMSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2C[C@@H]2CO1	1984449304	ZGHLCZOWGIRHTR-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
COC[C@@H](OC1CC2(COC2)C1)C(=O)NN	1985548720	ZJGUTIVCUHQNNN-MRVPVSSYSA-N	230.264	-0.813	50	10	BBGE	
COCc1nccn1[C@H](COC)C(=O)NN	1985660402	RNBZEMAEWYSGBY-SSDOTTSWSA-N	228.252	-0.793	50	10	BBGE	
CCN(CCF)C[C@@H]1CC[C@@H](C(=O)NN)O1	1986591104	OILMQIIUTKOIPB-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990041901	XWQMCHLZQYOCJA-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CN1CCCC[C@H]1C(=O)NCC=CB(O)O	1991327494	ACYUBVSJBIKWIF-VIFPVBQESA-N	226.085	-0.845	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)n1cccn1	1991328576	FWBNDRDZLBHQKU-QMMMGPOBSA-N	223.041	-0.872	50	10	BBGE	
CO[C@@H](C)CC(=O)N[C@@H]1CCC=C1B(O)O	1991333218	BZWYLDYISZHCEL-IONNQARKSA-N	227.069	-0.372	50	10	BBGE	
O=C(CC(F)(F)F)Nc1ncc(B(O)O)cn1	1996648025	UYEDHDSVZWEPQQ-UHFFFAOYSA-N	248.957	-0.953	50	10	BBGE	
CC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CCCC1	1998130759	NSMBPLCDXMALQT-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
CC1CC(CO)(N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	2000584414	BQNOBZVXTCLXER-OWNCLDLKSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2cccnc2=O)C1	2010832701	KPUCEPMMMMGQHB-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
C[C@H](CN1CCC[C@@H]2[C@@H]1CCN2C)C(=O)NN	2012128914	ZUQMELHRRLVBDB-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1ncc(B(O)O)cc1F	2014734682	IWWDRRFNFBIAFA-HTRCEHHLSA-N	242.034	-0.305	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCOC2=O)O1	2018243499	UDUAKBMQYYWVJC-HTQZYQBOSA-N	243.263	-0.634	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2019179145	NMYXAHMRVDWGDG-JCRMPLGGSA-N	237.303	-0.260	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1CCOCC1	2020061383	GWGOWHWPBAWUTE-SECBINFHSA-N	240.068	-0.871	50	10	BBGE	
CC#CCC(=O)NCc1ccc(B(O)O)cc1	2026531936	TZAYRQRQRCRGBC-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
Cc1ocnc1C(=O)Nc1ccnc(B(O)O)c1	2042249261	LIRFBFHUMYXYAM-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
COC1(C(=O)NCc2ccc(B(O)O)cc2)CC1	2047746362	SFNBWQNFIKWTTO-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2N)CC1	2053917429	FADIVAFRSDEYSJ-YTWAJWBKSA-N	249.314	-0.153	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)c(C=O)c1	2060239049	XXASMINMUGHELG-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CCC[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2079523076	MQXQEPJNGUNTNO-APPZFPTMSA-N	249.079	-0.469	50	10	BBGE	
O=c1ccncn1Cc1ccc(B(O)O)s1	2211073085	VYBRQFRLPCMZIZ-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
CCc1ccnn1Cc1nscc1B(O)O	2211137600	IZEOCIGOYNFZQO-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
C[C@H]1CC[C@@H]1Cn1cc(B(O)O)ccc1=O	2211480340	IRYJDCASJPAYOF-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1cc(B(O)O)ccn1	2212601452	OCWKQGVWCGRJNA-LURJTMIESA-N	230.023	-0.149	50	10	BBGE	
C[C@@H]1CSC[C@@H]1Nc1ccc(B(O)O)cn1	2212602821	KGZABGVFZDHJDY-APPZFPTMSA-N	238.121	-0.075	50	10	BBGE	
C#C[C@H](C)N(C)c1nccc(B(O)O)c1F	2212605801	KIPIVHSECPFXEF-ZETCQYMHSA-N	222.028	-0.642	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1ccc(B(O)O)cn1	2212607431	ATKLLABSIPGGIO-HTQZYQBOSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]2C2CC2)c1	2212613882	ZYEKRSFLRGRTOX-UWVGGRQHSA-N	218.065	-0.028	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)CCC12CC2	2214779917	HFZKLJRAWNMAKY-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
Cc1nccn(C[C@@H]2CC[C@H]2C(=O)NN)c1=O	2215770584	COZOFTRAKIDQSC-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@@H]1CO	2215770863	DZPRMSJRQBUYHS-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CCO[C@@H]3C2)CCC1	2216527931	JGBRMVYNTMSZPD-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCNC1	2217172998	NUZJZVTWYYTEPK-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC[C@H]2O)c1F	2217184657	QSHKCEFHTUFLKC-POYBYMJQSA-N	240.043	-0.917	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C=CCCN2)c1	2217186183	GYEKPMHCIOPVOT-SNVBAGLBSA-N	234.064	-0.942	50	10	BBGE	
CC[C@H](N)CCOc1nccc(B(O)O)c1F	2217186701	NXCNHTVWMOCHHU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
N[C@H](COc1ccc(B(O)O)cn1)C(F)(F)F	2217193968	YUTKKZRGAWZXSQ-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
C=CCCOCCN=c1ccc(B(O)O)c[nH]1	2217195420	KACBSYIIWWWEGL-UHFFFAOYSA-N	236.080	-0.812	50	10	BBGE	
COCC[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2217197590	OFBAJAASQDZWCC-SECBINFHSA-N	238.096	-0.732	50	10	BBGE	
CO[C@]12CC[C@H]1CN(c1ccncc1B(O)O)C2	2222837838	AILYRUUDKMJFBT-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(c2cc(B(O)O)ccn2)C1	2223649482	ZJQOYHAQXUEEAR-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
O=C1NC[C@@H]2CCCN(C(=O)CCl)[C@H]12	2241243247	QTOJNEMYLVXNNK-XPUUQOCRSA-N	216.668	-0.038	50	10	BBGE	
C[C@H](O)CNS(=O)(=O)N1CC(Cl)C1	2241353647	KGHUCWMTLVHQJC-YFKPBYRVSA-N	228.701	-0.875	50	10	BBGE	
OC[C@H](O)[C@@H]1CCN1CCOCCCl	2241811096	LQVNDNDUJQHRFI-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
NC(=S)NNC(=O)c1ncncc1F	2242217443	JKKFRQWNRFGRTQ-UHFFFAOYSA-N	215.213	-0.906	50	10	BBGE	
CN(C[C@@H]1CC=CCC1)C(=O)C#CB(O)O	2243356313	FPQLBDFOKYEHCM-SNVBAGLBSA-N	221.065	-0.184	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2243356768	MQADSESZMGFGMU-UHFFFAOYSA-N	222.053	-0.681	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C(=O)C1(B(O)O)CC1	2243365918	UYMAOCNXSZMVND-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CCCCCNC(=O)c1c[nH]nc1B(O)O	2243374339	ZUDRPUXGLMVHKD-UHFFFAOYSA-N	225.057	-0.991	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCO1	2243397379	ZYUYPDFNZFCJPW-QXFUBDJGSA-N	227.069	-0.465	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1CCC1	2243401788	WSVNQMHGHVKXOK-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
NC[C@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2243409640	MCTSYWWJDBRUJM-QMMMGPOBSA-N	226.085	-0.763	50	10	BBGE	
C[C@@H]1CN(C(=O)c2nscc2B(O)O)[C@@H]1C	2243409865	QERHHZIYUNCEBV-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H](CO)CN(C)C(=O)C1(B(O)O)CCC1	2243411296	RBGIKQPIPNOZCN-MRVPVSSYSA-N	229.085	-0.530	50	10	BBGE	
C=C(C)CCCNS(=O)(=O)CC(=C)B(O)O	2243412808	UBKCOQWWLOJJGV-UHFFFAOYSA-N	247.125	-0.170	50	10	BBGE	
O=C(NC1CC1)c1ncc(B(O)O)cc1Cl	2243415042	NFPMIJDTGPYEDG-UHFFFAOYSA-N	240.455	-0.693	50	10	BBGE	
O=C(NC1CC(CO)C1)[C@H]1C[C@@H](B(O)O)C1	2243427571	XLJZJBBQVLPIJI-VGKQMMLZSA-N	227.069	-0.874	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)co1	2244219876	SLOPJCCPWJRVAN-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
CC1CC2(C1)CC(CNC(=O)C(=O)NN)C2	2244830061	YXCPQXVABPZXJB-UHFFFAOYSA-N	225.292	-0.081	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]3C2)ncc1Cl	2245913541	TVBAPIFLKSCSHH-KNVOCYPGSA-N	238.483	-0.129	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2247739734	ANDQBKKHDFWKEB-FBDQPXRJSA-N	233.076	-0.590	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247741072	UHEVGWZZCBZGJB-YFKPBYRVSA-N	246.022	-0.580	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1(B(O)O)CC1	2247754363	FYJKVISGRUMVPZ-XHNCKOQMSA-N	239.080	-0.371	50	10	BBGE	
CCC1(F)CN(C(=O)c2occc2B(O)O)C1	2247754578	NCTCCDLECVJLBN-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1C(=O)C1(B(O)O)CC1	2247754682	FFIWNTNLZCQWLH-VGMNWLOBSA-N	240.112	-0.422	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)cn1C	2247763871	OIVSUNHWCICJSW-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)n[nH]2)CCC1	2247784622	YCMXNKKLKDOTLR-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC1(C)COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787501	PZBZDTMOYKOWPY-HRDYMLBCSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787634	RKYRSSFWXUSCHI-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790024	FDGDHRULOLANTF-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
CNCCC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247855548	ULDCBIHIVBPTIF-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@H]1CN	2247856012	BMXUVEJXGXQZGP-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(F)(F)C1	2247868364	SKRCOMUZDSUSRF-UHFFFAOYSA-N	244.990	-0.641	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247873576	DSHUKUDIXQOWPX-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
Cc1ccnc(C(=O)NC(C)(C)C)c1B(O)O	2247889833	AKOYSQOFTCFXDP-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
CCCN(CC)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247894712	KANKTAZWXWULPM-UWVGGRQHSA-N	242.128	-0.303	50	10	BBGE	
O=C(N[C@@H]1CCNC12CCC2)[C@H]1C[C@H]1B(O)O	2247899396	NCFPHBVWTHGHSI-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
Cc1ccc(O)c(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2248585482	MIIADZJCGIKLRS-NKWVEPMBSA-N	236.036	-0.103	50	10	BBGE	
COCCCOCCN1CCC(B(O)O)CC1	2249358552	RYQDSDZBMNMABT-UHFFFAOYSA-N	245.128	-0.022	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)co1)C(C)C	2249427970	MKTYQXIAVLHWQW-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
CCCN(C[C@@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2250596952	RELGMXGGEPZREV-OPRDCNLKSA-N	243.112	-0.141	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC(C)C1	2251793757	YUXUDKAKEDZATI-GWMJWBFUSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cncc(B(O)O)c1	2252739141	FMSRKPLCCKTVKD-UHFFFAOYSA-N	238.052	-0.609	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC=CC1CC1	2255445536	VVTMCGNWHPOPBV-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1CC[C@@H]2C[C@@H]21	2255466898	GEFDDECHYBYPFB-HRDYMLBCSA-N	249.075	-0.170	50	10	BBGE	
C=C1CON(C(=O)c2cccc(B(O)O)c2C)C1	2255510935	BYYJPPKNYLZMDC-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
Cn1nc(C(=O)Nc2ccccc2)cc1B(O)O	2255584889	AXKLAMSQJRXBBD-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(C)cc(B(O)O)c1	2255689236	HXKGYTJEQCOGJH-NSHDSACASA-N	245.087	-0.019	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1C[C@H]2C[C@H]2C1	2255691673	GUNFAOLAUALQTN-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ncccc2B(O)O)[C@@H]1C	2255710268	IJTYQMLJPWLLEU-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(C)c(B(O)O)c1	2255730231	JANIEPHATVBKGP-LLVKDONJSA-N	245.087	-0.184	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC2(CC1)CC2	2255741999	HVMRDRUVFUMACI-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(NC1CC(n2ccnc2)C1)[C@H]1C[C@H]1B(O)O	2255783481	MMMNGZPCZRODIK-HORUIINNSA-N	249.079	-0.434	50	10	BBGE	
O=C(N=c1cco[nH]1)Nc1ccc(B(O)O)cc1	2255916589	HCUWVKALZNJGDX-UHFFFAOYSA-N	247.019	-0.580	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256015507	VVZDUCNGFMREGA-MRVPVSSYSA-N	247.059	-0.622	50	10	BBGE	
Cc1nc(C(=O)NCC=CB(O)O)ccc1C#N	2256635666	FFWKDPDYHHYCKR-UHFFFAOYSA-N	245.047	-0.440	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2258141347	ITRMZADUQNVWMB-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1C[C@@H](B(O)O)C1	2298368449	FGMZWTQYMJJSJM-CHIWXEEVSA-N	241.096	-0.341	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[C@H]1B(O)O	2298369826	GVTFXOFSXAIMPS-CHHOWFRJSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@](F)(CO)C1	2302050783	UGNVFEGSXDEKPN-ONGXEEELSA-N	247.314	-0.059	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC=C[C@]1(CO)COC	2306855721	ABHDKTHKZOHUQJ-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317312295	FACLRWDTAHVLIR-NEPJUHHUSA-N	249.075	-0.563	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(C=O)c(B(O)O)c2)CN1	2317350711	XFSAENPIGATYLH-KCJUWKMLSA-N	249.075	-0.692	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1O[C@H]2CC[C@H]1C2	2327545170	OUHQXTNGXRPPLA-ATZCPNFKSA-N	249.075	-0.904	50	10	BBGE	
C[C@@H]1CSCCN1CCC(=O)NN	70222304	CHHLKNKCMOMUGO-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1ccc([N+](=O)[O-])n1	82471658	XCHCZZMJWOFOKT-SSDOTTSWSA-N	227.224	-0.022	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cnc(C#N)n1	82471709	OAWZRRNCYQYBSQ-SSDOTTSWSA-N	208.225	-0.663	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85541992	HQWLGSJENRAXJM-YIZRAAEISA-N	213.281	-0.382	50	10	BBGE	
CN(C)CCSC[C@H]1CC[C@@H](C(=O)NN)O1	87417304	DKFCBRSZPLDWHU-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CCN(CCCO)C[C@@H](C)C(=O)NN	124934278	BBMBTUMRSIHCMO-MRVPVSSYSA-N	203.286	-0.683	50	10	BBGE	
OB(O)c1ccc(-c2cnccn2)cc1	205595739	FFYIPBTUWFKUPY-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC#N)CC#N	212062600	BAWNWLFIBDZMJR-MRVPVSSYSA-N	209.253	-0.506	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124737	ZEPOLFDJZHVODB-LNFKQOIKSA-N	241.335	-0.296	50	10	BBGE	
CN1CCCN(CCCCC(=O)NN)CC1=O	229085955	FPVRDJWXHZCMIB-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
Cc1nc(C)n(Cc2cccc(C(=O)NN)n2)n1	235955615	LVNCXEGTSWCMPB-UHFFFAOYSA-N	246.274	-0.058	50	10	BBGE	
OB(O)c1cnc(F)c(C(F)(F)F)c1	238634284	RNDWILSOANBHCY-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CCCNC(=O)CSC[C@H](C)C(=O)NN	300884077	SVIDVIBTZHSGCP-ZETCQYMHSA-N	233.337	-0.128	50	10	BBGE	
O=S1(=O)NCCN1C/C=C/CCl	306349547	JTWYFZIRSWEQKU-OWOJBTEDSA-N	210.686	-0.069	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H](C)C1	306959309	XJZBDQSHGLADRP-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CCC(=O)NN	307602188	TUSQBBKIQPUQEW-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
OB(O)c1c(O)ccc(F)c1Br	307647272	DSKCQAAMKQTIKH-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(CCl)NC(=O)NC1COCCOC1	307708144	IJBWBDHRFMZUDR-UHFFFAOYSA-N	236.655	-0.534	50	10	BBGE	
NC(=O)C[C@@H](N)C(=O)NCC(Cl)Cl	308206338	IEHBBSMHZYQBGI-GSVOUGTGSA-N	228.079	-0.891	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)CC1CNC1	309483041	FGSPBESGSRMXGX-HTRCEHHLSA-N	211.265	-0.601	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1c1cnn(C)c1	310305989	COOXXOGNLFQHKO-SCZZXKLOSA-N	237.307	-0.065	50	10	BBGE	
COC(=O)C(=O)N[C@H](C)C(=O)CCl	379348081	JEVAARNYQBBJHX-SCSAIBSYSA-N	207.613	-0.528	50	10	BBGE	
COCCCN=c1[nH]c(CCl)nc(=N)[nH]1	379903394	GTHLZVDHKHPUQP-UHFFFAOYSA-N	231.687	-0.107	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CC(=O)NN	395178936	OTSFFDHAKYTVIB-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1CO	396042110	QRBSDSVMJRKWPY-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
CN(CC[S@](C)=O)[C@@H](C(=O)NN)C(C)(C)C	399974990	KNLLPXQNTKSXKH-PWJLMRLQSA-N	249.380	-0.299	50	10	BBGE	
Cc1nc(C(=O)Nc2ccc(B(O)O)cc2)no1	404964593	GWPBHNNCGDBFRG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1CC1	404989027	ADDOSIQIKMLKOR-UHFFFAOYSA-N	219.049	-0.607	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1B(O)O	405014846	SSMUBDYQUPHGPF-BDAKNGLRSA-N	249.075	-0.270	50	10	BBGE	
Cn1ncnc1CN1CCC(O)(C#N)CC1	686013191	INOMIEAMZMDDPG-UHFFFAOYSA-N	221.264	-0.334	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COC[C@H]2O)CC1	687995119	ZIKGSTAMUZJVEN-RKDXNWHRSA-N	212.249	-0.903	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1[C@H](C)CC(=O)NN	688752954	GGOXJGNJNWILAJ-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C#CCOC(=O)Nc1cccc(B(O)O)c1F	690152544	UBICXZGMDVPAID-UHFFFAOYSA-N	236.995	-0.313	50	10	BBGE	
CCCO[C@@H]1CCN([C@H](C)C(=O)NN)C1	701701133	OLJSFAOVLRUJME-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NCB(O)O)n1	701961373	UZYBEWLLGKVWDN-UHFFFAOYSA-N	225.057	-0.982	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1nc(C(=O)NN)co1	703550035	FINJABUAZPLGSB-XPUUQOCRSA-N	241.247	-0.170	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCC12CC2	706206279	QOSYFTQKPCYCGN-ZETCQYMHSA-N	211.265	-0.327	50	10	BBGE	
COC[C@@H](COC(F)(F)C(=O)NN)OC	709959967	NYADEXOQOAWJOC-YFKPBYRVSA-N	228.195	-0.753	50	10	BBGE	
CC1(C)CCC[C@H](Cn2ccc(B(O)O)n2)O1	714351017	WZAGRZNLIIASBI-SECBINFHSA-N	238.096	-0.089	50	10	BBGE	
C[C@H]1[C@H](C)CN1Cc1nsc(C(=O)NN)n1	724321930	CYWWZWWOUGBACE-RITPCOANSA-N	241.320	-0.018	50	10	BBGE	
CCC(COC)=NNC(=O)[C@@H]1COCCO1	745211263	BCKQOVUSEXVZNP-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)N(C)C	746849965	XQGRRTUNCCEFAK-UHFFFAOYSA-N	233.268	-0.658	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)NCC1CC1	786826697	HQEGRQPEIOUATC-YFKPBYRVSA-N	201.226	-0.892	50	10	BBGE	
CC(=NNC(=O)C(N)=O)c1cn2ccccc2n1	788407712	DNUDRYBBWUYIJY-UHFFFAOYSA-N	245.242	-0.340	50	10	BBGE	
CCn1ccnc1C(=O)NNC(=O)c1cnn[nH]1	813443076	XBEYNWMNQHPHMF-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
C[C@H](N)[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	821980675	LJPKXFLUBDHVTQ-BDAKNGLRSA-N	225.292	-0.153	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1C[C@@H]1c1ccccc1	839721028	NIQKLFXVSIIMJA-ZJUUUORDSA-N	234.255	-0.070	50	10	BBGE	
CC1(C)CN(CC(=O)NNC(=O)C(C)(C)O)C1	847855246	IISBYYDEZVBYJU-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
Cc1conc1C(=O)NNc1nccn(C)c1=O	1182902875	NIOIEMVAJAJIGQ-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNC(=O)NC	1334906087	QOEAUIRTWRFCGV-UHFFFAOYSA-N	211.225	-0.454	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)C(C)(C)O	1634249915	NJZWRDSWPMKAGB-UHFFFAOYSA-N	227.220	-0.485	50	10	BBGE	
N#Cc1ccc(NNC(=O)NCC#CCO)nc1	1675464771	GYGRYVQDAALVCM-UHFFFAOYSA-N	245.242	-0.425	50	10	BBGE	
O=C(O)[C@@H](Cl)COCCn1cncn1	1886293854	IFOIUCFBJSUSMZ-LURJTMIESA-N	219.628	-0.013	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](CNC(=O)F)C1	1887186732	RBTUCFQAJGSTAQ-ZCFIWIBFSA-N	224.257	-0.053	50	10	BBGE	
C[C@H](COCC1CN(C)C1)C(=O)NN	1888699364	WHMGVOLJMFDNSK-SSDOTTSWSA-N	201.270	-0.809	50	10	BBGE	
C[C@@H](CBr)CN1CCNC(=O)C1=O	1891863289	VGBXMKWSIHQOJE-LURJTMIESA-N	249.108	-0.024	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@H]1C[C@@H]1Cl	1893474200	GDIZNXHDSJVRPN-BQBZGAKWSA-N	221.684	-0.137	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NN1CCOCC1	1893498667	WUEJJPZTROBCNE-OWOJBTEDSA-N	218.640	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)C12CCC2	1897739053	LUOSDRPKODRUCP-YIZRAAEISA-N	225.292	-0.788	50	10	BBGE	
CO[C@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	1900631746	ZXHMLJDKJWLSMO-SSDOTTSWSA-N	227.264	-0.854	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1CC(N)C1	1901341554	WTWYUWBAYQZGRW-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1CCCN1	1901344348	PEKVBBRRIVAXBO-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@@H](N)C1	1901368764	QYLPKEKZDAUFMW-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
CC[C@@](C)(CN1CC(C)(CO)C1)C(=O)NN	1902715349	GOJGKOPLZNPTOS-NSHDSACASA-N	229.324	-0.293	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@H]2C[C@@H]21	1902996533	IFZBXDBCWVIKMA-RNJXMRFFSA-N	227.264	-0.032	50	10	BBGE	
CN(CC1CC1)c1cc(B(O)O)c(F)cn1	1903006026	ODVBVCHVAJOAFQ-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3CC[C@H]32)ncc1F	1903011142	XLNBWWJIJVSWEV-KJXVDCTPSA-N	222.028	-0.279	50	10	BBGE	
O=C(N1CCC[C@H](O)C1)N1CC[C@@H](B(O)O)C1	1905583029	FKPWGEPHVBETIX-BDAKNGLRSA-N	242.084	-0.888	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@@H]2C[C@@H]21	1905647766	MUZUAGBEUJLNRI-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC2(COC2)C1	1915567973	MBQIAFZGZZCBRC-SECBINFHSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](NC(=O)NN)C1CCS(=O)(=O)CC1	1928365474	NVQQZWTYMBSICO-LURJTMIESA-N	235.309	-0.627	50	10	BBGE	
C[C@@]1([C@H]2CCS(=O)(=O)C2)CC(=O)OC1=O	1928388367	PCGAWIJCUCCEFQ-RCOVLWMOSA-N	232.257	-0.099	50	10	BBGE	
OC[C@]12CN(C[C@@H](O)CCl)C[C@@]1(CO)C2	1928557463	VHXFEKKNICSUQG-LPEHRKFASA-N	235.711	-0.737	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@@H]1COC[C@@H]1Cl	1928973158	UFLPPNJIJFZBKD-UYXSQOIJSA-N	221.684	-0.004	50	10	BBGE	
CC(C)(CN1C[C@@](C)(O)CO1)C(=O)NN	1930290882	DIRHIBZQPRSYFW-SECBINFHSA-N	217.269	-0.999	50	10	BBGE	
Cn1nnc(CNC[C@@H](Cl)CF)n1	1930540406	FPTMMRJCESOIRY-YFKPBYRVSA-N	207.640	-0.123	50	10	BBGE	
CC[C@H](COC)OCCOCC(=O)NN	1931005878	NBHFQKNUDCRYEX-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1OCCC(=O)NN	1932289854	IHRWONWQEIDQJJ-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
NC(=O)NC1CC(NS(=O)(=O)CCl)C1	1932442209	ZZIGZXNVPYNKKW-UHFFFAOYSA-N	241.700	-0.699	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	1936086595	YOHOSBVHADKHTK-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
Cc1nn(CCOCC(=O)NN)c(C)c1C	1936528486	GPIZVTVXISMFPH-UHFFFAOYSA-N	226.280	-0.185	50	10	BBGE	
C[C@H]1CCCC(=O)N1CCOCC(=O)NN	1936805263	NRXUVHHODJDIDQ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
CO[C@@](C)(CCl)CNC(=O)Cn1cnnn1	1937160594	XFKFKHKVKPCSIM-QMMMGPOBSA-N	247.686	-0.567	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H]2COCC[C@H]21	1940344694	XZFKXKXYBSNFQT-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H]3C[C@H]2CO3)c1	1940761203	FXRLJSAWJCNCIJ-QXEWZRGKSA-N	236.080	-0.622	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(CCCO2)C1	1941394142	PUBPEYCOMIMLKL-SECBINFHSA-N	249.261	-0.134	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)C[C@H](C)O1	1941780813	UJFUQUNJJKWMKW-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O=C(CCC(F)F)Nc1cccc(B(O)O)n1	1942300614	QPOSZWXNVKCKMC-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
C[C@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C	1946129155	JFHBOQWQXZTMNJ-MRVPVSSYSA-N	236.080	-0.745	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	1948374917	OWQHGGQTVYDTNV-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H]2C[C@]2(O)C1	1954019940	WIFPHBWGVWKVLU-BQBZGAKWSA-N	225.697	-0.031	50	10	BBGE	
NNC(=O)NC[C@H]1C[C@@H]2OCC[C@@H]2O1	1955953338	PSWSOJNBLACMGC-VQVTYTSYSA-N	201.226	-0.894	50	10	BBGE	
O[C@H](CCl)CN1CCn2ncnc2C1	1956772379	MKQLMODXQRQTQE-SSDOTTSWSA-N	216.672	-0.307	50	10	BBGE	
CC(C)S(=O)(=O)CCN(C)C(=O)NN	1956776259	MALLKRKAEUVBSL-UHFFFAOYSA-N	223.298	-0.675	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1CC(=O)NN	1961008255	BWOJJPKYDKIEDT-LURJTMIESA-N	209.253	-0.713	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]1CF	1961512704	JESGZFWBRDISLF-QMMMGPOBSA-N	219.260	-0.573	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC([S@@](C)=O)C1	1961563021	GLZJEHZXGHWUFT-IMTVCQGZSA-N	233.337	-0.936	50	10	BBGE	
CNCC[C@@H](C)N(C)CC(=O)NNC(C)=O	1980086902	PKTSGKVOUZLCBF-MRVPVSSYSA-N	230.312	-0.917	50	10	BBGE	
CCCN(C[C@@H]1CCOC1)C(=O)C(=O)NN	1980761900	PGDSSAPYEXXQPN-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](n2ccnc2)C1	1981053134	FEEBAMZNLXVNJF-SECBINFHSA-N	223.280	-0.490	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@H]2C[C@@H]21	1981144173	UIIHCJDLJZLSNS-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
OB(O)c1ccc(N2CC3(CSC3)C2)nc1	1981414964	YJVBWEBNFCFXPM-UHFFFAOYSA-N	236.105	-0.685	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@@H]2C)ccc1B(O)O	1981469127	MZYIWSYNEHMBDU-APPZFPTMSA-N	220.081	-0.086	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1981997616	VNQUGOAXZNUOQL-XKNYDFJKSA-N	225.292	-0.667	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccccc1=O	1984128101	JWSVQRLOBICASR-UHFFFAOYSA-N	231.202	-0.136	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CC(F)(F)C[C@H]2C1	1985932849	QYZCXPMDCSTYQC-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
CNCCCSC[C@H]1CC[C@H](C(=O)NN)O1	1990229428	GOUFGJPLWBFJIR-RKDXNWHRSA-N	247.364	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCSCC1	1990774253	GQJTXXYTYWNQLB-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@]2(CO)C[C@]2(CO)C1	1991685994	NYIYVFHSTQWBMW-JZSSXWJLSA-N	245.706	-0.183	50	10	BBGE	
C=C(CN1CCC[C@H](N(C)CC)C1)B(O)O	1992152315	CUYNRSCMCWHZBS-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
C/C=C/CNC(=O)c1cccc(B(O)O)c1	1992837511	ZEKIJGAKHMHUGC-NSCUHMNNSA-N	219.049	-0.328	50	10	BBGE	
CSCCOCC12CC(C(=O)NN)(CO1)C2	1993890667	HGIIZZSUDLMOHD-UHFFFAOYSA-N	246.332	-0.095	50	10	BBGE	
CCC12COC(CN(C)CC(=O)NN)(C1)C2	1994649110	AQCSPNIPEUVQDH-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CCOCCC(=O)Nc1ccc(B(O)O)cn1	1996647409	MECLMOFDHBJQNQ-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CCCC[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998132756	JQICZBQNCBJPHM-SFYZADRCSA-N	245.084	-0.145	50	10	BBGE	
C[C@](O)(CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	1999966958	DLNXGQUZONHOQR-LAEOZQHASA-N	243.259	-0.964	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2CC[C@H](C1)C2O	2002476645	BSLAYLJMDKHJQO-WEHBEXOLSA-N	239.319	-0.685	50	10	BBGE	
CO[C@H]1CCN(c2ccc(B(O)O)cn2)[C@H]1C	2004916797	QCCIWOASNHESKV-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@@H]1CCOC1	2004934615	HTXLRJSMZQXFGM-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)C[C@@H]1C[C@@H]1C(=O)NN	2007572433	GDZPVWJRRDSYCO-HWUMTFDVSA-N	239.319	-0.421	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N(CCCC(=O)NN)C1=O	2007786288	VXXPNZUVPCPJCC-HTQZYQBOSA-N	241.291	-0.212	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](O)[C@H]2C1	2008869688	DSVMZMVBOVATOT-FXQIFTODSA-N	249.261	-0.686	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)[C@H]1C[C@H](O)C1	2010832993	NMZVCDFGCHNXCB-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](OC[C@H](C)N1CCCC1)C(=O)NN	2013809593	QOIDNNJCULTJRY-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)NC[C@H]1C	2015992380	GBEBBPLSYDYZAV-MRVPVSSYSA-N	242.323	-0.774	50	10	BBGE	
CN(CCCF)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023852280	FGCOLZKAPGENGD-XYPYZODXSA-N	245.298	-0.183	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(CC(=O)NNC(C)=O)C1	2025494432	ZICSEBRKMJRBPZ-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
CCN(C)C1CN(Cc2ccccc2B(O)O)C1	2050306210	SPMQOQALMJXDJX-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
CN(CCN(C)C1CC1)c1ncccc1B(O)O	2052499101	NZSRYTLFIUMONJ-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@@H](C3)C2)n1	2052617612	GEMNZYAVOFGOSA-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
N#Cc1ccc(B(O)O)c(C=O)c1Cl	2060093464	XDAXNUHHOACSCI-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	2087008992	NDCWLRGNHYVNRQ-VOCCIVIWSA-N	249.314	-0.404	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H]1C[C@@H]1C	2211603229	VRTSWYOEKOQIAR-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC=CC2CC2)c1	2212605426	DONIXFFMKFULBN-UHFFFAOYSA-N	218.065	-0.439	50	10	BBGE	
OB(O)c1cccnc1NCc1csnn1	2212615901	WNTFACRMRLWRMV-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213882183	ISTOQJFZWNRYFP-YIZRAAEISA-N	247.314	-0.204	50	10	BBGE	
CCN1CC[C@@H](Oc2ccc(B(O)O)cn2)C1	2216511449	ZKRALNFYLDWDIV-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
Cc1ccnn1CC1(C(=O)NN)CCOCC1	2216865869	YCPJDOPBHPTNSF-UHFFFAOYSA-N	238.291	-0.022	50	10	BBGE	
OB(O)c1ccnc(N2CCCOCC2)c1F	2217179999	PWCITDMELSSVGD-UHFFFAOYSA-N	240.043	-0.873	50	10	BBGE	
C[C@@](CN)(Oc1ncccc1B(O)O)C(F)F	2217183467	ILKGYNYTSXEUOJ-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1ccnc(N2CCC=C(F)C2)c1F	2217184382	SASGUAJRZCNLRD-UHFFFAOYSA-N	240.018	-0.036	50	10	BBGE	
C[C@@H]1C[C@H]1CCN=c1[nH]ccc(B(O)O)c1F	2217184712	VQCXHEALVVAJNS-HTQZYQBOSA-N	238.071	-0.220	50	10	BBGE	
Cc1cnc(NC2(CCO)CC2)cc1B(O)O	2217184813	WPMLJEDYVRXOMN-UHFFFAOYSA-N	236.080	-0.603	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCNC2)c1	2217187302	WFKGUCWKAIHRPI-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
C[C@H](CN(C)C)Oc1nccc(B(O)O)c1F	2217191457	JWVJNFDCDUOYDM-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
CN[C@@H]1CCC[C@H]1Oc1cc(B(O)O)ccn1	2217196709	UAPWFRNRVBBVPI-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
CN(Cc1ccon1)c1ccc(B(O)O)cn1	2217202120	HTOVKEFDSNNANU-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CC[C@H]1N	2220061786	DJUWTDZRCYLPGJ-ZWNOBZJWSA-N	248.135	-0.465	50	10	BBGE	
CS[C@@H]1CC[C@H]1NC(=O)C#CB(O)O	2241467904	CXHDCMKXEMQIML-RNFRBKRXSA-N	213.067	-0.988	50	10	BBGE	
CSCCCCNC(=O)C#CB(O)O	2241476529	UURKDBCTEONCKW-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
O=C(N1CC2(CC2)CO1)C1(B(O)O)CCC1	2243348248	WARJYTURODJHTM-UHFFFAOYSA-N	225.053	-0.063	50	10	BBGE	
O=C(N1CC2(CCO2)C1)C1(B(O)O)CCC1	2243363392	GBNGUMOVLLDCRL-UHFFFAOYSA-N	225.053	-0.615	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243365850	TWCXSOOETMHWRR-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
CC(C)CN(C)C(=O)c1csnc1B(O)O	2243377748	GMJDJJCHMITGJR-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243396759	QLOQQFNLKIALQE-JBDRJPRFSA-N	226.085	-0.907	50	10	BBGE	
CC[C@H](C)[C@@H](CNC(=O)C#CB(O)O)OC	2243401509	SFGDSZALUWRMFK-DTWKUNHWSA-N	227.069	-0.821	50	10	BBGE	
CN(C)C1(C)CN(C(=O)C2(B(O)O)CC2)C1	2243410295	YXCPDPXDOFYGRQ-UHFFFAOYSA-N	226.085	-0.844	50	10	BBGE	
C=C(C)CNC(=O)c1nc(C)sc1B(O)O	2243413840	OIOAJGRLOKMASZ-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
CCON(CC)C(=O)c1sncc1B(O)O	2243415390	TYEDUVXVDQQGQS-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243415534	XGAABFNHAQBXTQ-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H](C)[C@H]1C)B(O)O	2243427227	SADGJHDTZBGJEQ-IONNQARKSA-N	247.125	-0.385	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)CF)cc1B(O)O	2244125091	KBAHTHAAMXNXMR-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
C[C@H]1C[C@H]1S(=O)(=O)N1CCC(B(O)O)CC1	2244170812	LONQSVDWBRAACK-IONNQARKSA-N	247.125	-0.337	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1ccoc1B(O)O	2247737021	BDOWKTYWTOXQBA-SFYZADRCSA-N	241.027	-0.420	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@@H]2C1)C(=O)C#CB(O)O	2247740009	DZWMNTBLDTYKKP-RTCCRHLQSA-N	235.092	-0.104	50	10	BBGE	
O=C(Nc1ccncn1)c1ccc(B(O)O)s1	2247740727	OMYRIFZCUAPLPA-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]1CF	2247741865	GZIUWXHVTUMXJP-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
C#C[C@H](C)NC(=O)c1c(F)cccc1B(O)O	2247752285	MKSAWNQEYPOULX-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1C(=O)C1(B(O)O)CC1	2247757088	OJRRAXQIYVTQCK-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
C[C@@]1(O)CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247788005	XSXMUOZVTDCDOW-QCBRBAQYSA-N	241.096	-0.341	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797337	IOCZBAIPWVXJBA-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC(F)(F)C1=O	2247799822	IQDSHUATWLAURQ-UHFFFAOYSA-N	247.006	-0.366	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247800453	PGVGAMGQXNAQLA-JXUBOQSCSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N1CCC1	2247800752	SKUQCKYSGXEOQK-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1C	2247801356	ZXSXGUSNVOJIKG-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
O=C(NCC1CCC(O)CC1)[C@H]1C[C@@H]1B(O)O	2247806493	NNXNIPYFLRLILY-QLEHZGMVSA-N	241.096	-0.483	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CCC2	2247808792	WFJVBCCXOVNEQZ-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
O=C(C#CB(O)O)NCc1csc2cncn12	2247848196	IELUUPMAMXOXFZ-UHFFFAOYSA-N	249.060	-0.973	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247858652	GSMBHLSDNLNARJ-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(C)cc1B(O)O	2247874586	NBJQSYQKMQUJET-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
CC(C)(O)C1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247887091	KDQYNGJNIACEQO-ABIFROTESA-N	241.096	-0.485	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1Cc2c[nH]nc2C1	2247891934	QRALYWLZIXTJEV-UHFFFAOYSA-N	235.052	-0.495	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2247898853	IDNYIBLAYXQGCL-SRQGCSHVSA-N	240.112	-0.553	50	10	BBGE	
O=C(NOCCF)Nc1cccc(B(O)O)c1	2247975672	YPORLNYSTYHKTQ-UHFFFAOYSA-N	242.015	-0.611	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1B(O)O	2247979444	UKVIRWKKFDOWMY-XVKPBYJWSA-N	234.064	-0.104	50	10	BBGE	
CC=CC(=O)N1CCc2cccc(B(O)O)c21	2248397257	JSJNPEGEPCUNMX-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248574672	UIURFAUSPDJIQG-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1cocc1B(O)O	2249418534	VJQXRZANELTVEA-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC12COCC(C1)C2)[C@H]1C[C@@H](B(O)O)C1	2250898168	YKQSJUXPPVBNHC-SNWHPCCYSA-N	239.080	-0.465	50	10	BBGE	
COc1cc(CN)ccc1NC(=O)C#CB(O)O	2255476199	ILSIHJJIRQUUBI-UHFFFAOYSA-N	248.047	-0.892	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ncc(C)cc1B(O)O	2255560502	WCLSCHBAEZVXJY-MRVPVSSYSA-N	248.091	-0.378	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC[C@@H]2C[C@H]21	2255723680	HINFOQJUDDRFEC-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
Cc1cnc(C(=O)Nc2ncco2)c(B(O)O)c1	2263400277	AVBCDYAXNMVXKA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](N)[C@H](CO)C1	2297090267	DDYPWGPMHMMWPT-DJLDLDEBSA-N	217.700	-0.241	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368994	FLPQNSFFMSFUBC-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298370026	LTSZJSICBIABKB-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC[C@H](O)C1	2300374960	XGWPUGXABCUMLK-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(O)CCN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300375917	ZJQCXYBKMPJSIZ-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C[C@H]1C[C@H]1C(=O)NN)C2	2301478922	JXTWTPXIZDIVHN-CDPPZIPSSA-N	239.319	-0.542	50	10	BBGE	
CC(C)N(C)C(=O)CN1CC[C@](C)(B(O)O)C1	2303097069	LPKYXLCUHDPEAD-NSHDSACASA-N	242.128	-0.208	50	10	BBGE	
COCCCCCN(C)CCOCC(=O)NN	2303264961	XJZWJLZWOMZXTG-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
CON(CC(C)C)c1cc(B(O)O)c(F)cn1	2303835233	SPWXUJMIISSIPF-UHFFFAOYSA-N	242.059	-0.076	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H]2C2CC2)[nH]c1	2319644878	WFPANWPFLXHLHL-GXSJLCMTSA-N	247.107	-0.574	50	10	BBGE	
N#C[C@H]1CCCN(c2cc(B(O)O)c(F)cn2)C1	2320795210	RCNWWXUTKYCHKF-MRVPVSSYSA-N	249.054	-0.360	50	10	BBGE	
NNC(=O)c1nc(-c2cnccn2)no1	2576055	SZJJSOXZOTXJPQ-UHFFFAOYSA-N	206.165	-0.870	50	10	BBGE	
CC(C)(CCl)C(=O)NC(CO)(CO)CO	41694818	ZROIHQOPMNVAPN-UHFFFAOYSA-N	239.699	-0.917	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCCNC1=O	50398461	VAMNRBYOBRDOSW-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
CN(C)CCc1ncc(C(=O)NN)s1	82419274	QJFBYSIFSDKTDR-UHFFFAOYSA-N	214.294	-0.149	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCOCC1	82469349	ZWXYINMTYYDQOM-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ccsc2=O)O1	82471556	SYCGMDLHFHMRTH-BQBZGAKWSA-N	243.288	-0.553	50	10	BBGE	
CC(C)[C@@H](Sc1n[nH]c(N)n1)C(=O)NN	82472946	IJEIAMUJGMTVNH-SCSAIBSYSA-N	230.297	-0.507	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](C(=O)NN)C(C)C	104107584	LQOSKGLYJNDRDC-SNVBAGLBSA-N	244.339	-0.541	50	10	BBGE	
Cc1nc(C)n(C[C@@H]2CC[C@H](C(=O)NN)O2)n1	110602979	RUHGBHDZFLFFFC-DTWKUNHWSA-N	239.279	-0.568	50	10	BBGE	
COC(C)(C)CN1CC(=O)OC(=O)C1	159364874	CWWBGZQHTSFFRZ-UHFFFAOYSA-N	201.222	-0.203	50	10	BBGE	
C[C@H](C(=O)NCCCl)S(C)(=O)=O	167776061	YXQXMCCVGTVYRO-RXMQYKEDSA-N	213.686	-0.226	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CCCC1	225159745	GQLMYDDKGWQBSW-UHFFFAOYSA-N	225.078	-0.336	50	10	BBGE	
CC1(C)CN(C(=O)C(=O)NN)CC(C)(C)O1	226436864	DNTMOOMOMWSRBL-UHFFFAOYSA-N	229.280	-0.608	50	10	BBGE	
COCCCOCCOC(F)(F)C(=O)NN	232205995	VGCVOOYRRKRBMH-UHFFFAOYSA-N	242.222	-0.361	50	10	BBGE	
C[C@@H]1COCCCN1CCC(=O)NN	306692721	RZVQKWAONQWXKR-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C=CC(=O)NCc1cccc(B(O)O)c1	308858096	JARKROPKEBQRQT-UHFFFAOYSA-N	205.022	-0.831	50	10	BBGE	
CCCN([C@@H]1CCOC1)[C@H](C)C(=O)NN	379845168	HSJVRIBWGXWYTP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)/C(C#N)=C1/N[C@@H](C(=O)OC)CS1	380470857	GXOBXZSOIRAYSN-XOQWBGJWSA-N	242.256	-0.227	50	10	BBGE	
O=CCCc1ccc(/C=C/C(=O)O)cc1B(O)O	396136766	ZZTFBSUIDCVRAQ-GQCTYLIASA-N	248.043	-0.404	50	10	BBGE	
CO[C@H]1NC[C@@H](Br)N=C1NN	605704151	JIONHRRPTIBURW-WVZVXSGGSA-N	223.074	-0.855	50	10	BBGE	
Cc1ccncc1C(=O)NNC(N)=S	606280394	AULUBOBBCXGRGQ-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1CN(C)C2)C(=O)NN	687258968	YOJXUHIWVIABKU-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
Cn1nncc1N1CCC(O)(C#N)CC1	692131912	JZANDGXAIYZRAK-UHFFFAOYSA-N	207.237	-0.330	50	10	BBGE	
CCn1cc(CN(C)CC(=O)NN)cn1	693743978	CBKRCVRKRCXZOW-UHFFFAOYSA-N	211.269	-0.675	50	10	BBGE	
NCc1ccc(B(O)O)cc1C(F)(F)F	699929308	NFZSEKGBOMLEGU-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NNC(N)=O	700858341	HLSIHFVNOHRIEB-UHFFFAOYSA-N	203.242	-0.111	50	10	BBGE	
CN1CCC[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703436988	YCOBOKUHFUIJCB-GUBZILKMSA-N	238.287	-0.003	50	10	BBGE	
CC(C)OC1CCC(NC(=O)C(=O)NN)CC1	703802391	QRZAJMWHNCJHPM-UHFFFAOYSA-N	243.307	-0.171	50	10	BBGE	
COCc1csc(C(=O)NCB(O)O)c1	706495082	MZIPWBOMJYIBOF-UHFFFAOYSA-N	229.066	-0.364	50	10	BBGE	
C[C@H]1CC(=O)NCCN1CCCCC(=O)NN	707345356	BZEVZXCWVNBNNE-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CC[C@@]1(O)CCCN(CC(=O)NN)C1	710207621	ATJQCLGHOFUFFR-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
CC[C@]1(O)CCCN([C@H](C)CC(=O)NN)C1	710208943	HDOJADQXNWETAN-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[S@@](=O)N1CCc2cc(B(O)O)ccc21	712227957	JHGZQFHGDUUFQX-OAHLLOKOSA-N	225.078	-0.978	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCC(=O)NN)CCO1	721487063	ZEFZCHOSKCATNZ-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721714267	GHJRTUYWYWEPCK-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1cn[nH]c1	729395766	FUHABHDSGSSRMF-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
C[C@H]1CN(C)CC1=NNC(=O)[C@H]1COCCO1	752165298	IFHPQEVURUOIFO-WCBMZHEXSA-N	241.291	-0.545	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1CCCOCC1	787568247	ARKOZHJAEGFSEH-QMMMGPOBSA-N	244.291	-0.279	50	10	BBGE	
CN(NC(=O)[C@H]1CSC(=O)N1)C1CC1	819647881	SOIFDCFDPDOAPD-ZCFIWIBFSA-N	215.278	-0.063	50	10	BBGE	
O=C(COCC(F)F)NNC(=O)C1CC1	858122518	WLJWIODQAYEVPX-UHFFFAOYSA-N	222.191	-0.175	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1C[C@H](C)CO1	900353075	NZNUOSSQFZGFLV-NTSWFWBYSA-N	201.226	-0.628	50	10	BBGE	
Cn1ccnc(NNC(=O)[C@@H]2C[C@@H]2F)c1=O	1160934607	OIHRDUQEYMUUHM-RITPCOANSA-N	226.211	-0.419	50	10	BBGE	
O=C(CO)NNC(=O)c1ncoc1C1CC1	1306820436	MUILWSXCQGEZSX-UHFFFAOYSA-N	225.204	-0.695	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnn(C)c2)n1C	1351618522	FLTPPYPOUWGGKP-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
COC(=O)NNC(=O)c1ccc(O)nn1	1457489905	XESNQMQNPADXCH-UHFFFAOYSA-N	212.165	-0.817	50	10	BBGE	
Nc1ccnn1CC(=O)NNC(=O)c1ccc[nH]1	1539096919	WODLNIMQZWROMX-UHFFFAOYSA-N	248.246	-0.745	50	10	BBGE	
C#CCOCCC(=O)NNc1cc(C)nc(N)n1	1632695420	QMVIJUMIMFFQCL-UHFFFAOYSA-N	249.274	-0.150	50	10	BBGE	
OC[C@H]1C=CCN1C[C@@H](O)CBr	1880567162	HYUUYRGKOQZDAB-SFYZADRCSA-N	236.109	-0.025	50	10	BBGE	
O=S(=O)(NCCCCl)c1nc[nH]n1	1882167173	ZNJXSGBFYPWOMT-UHFFFAOYSA-N	224.673	-0.288	50	10	BBGE	
C[C@@H](C(=O)NNCCO)C(F)(F)F	1882212370	OETNHNDXPVPYNF-BYPYZUCNSA-N	200.160	-0.202	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)CCl)C[C@H]21	1883971462	RYTHTSIOHVXMSP-CNYLLVADSA-N	202.641	-0.585	50	10	BBGE	
CN(C)NC(=O)N[C@H](CCF)C(=O)O	1884926769	LPFFPYLMMHLMGS-RXMQYKEDSA-N	207.205	-0.425	50	10	BBGE	
C[C@H](F)[C@@H]1CCCN1C(=O)C(=O)NN	1885618296	GXVTUGSEEVHGIC-WDSKDSINSA-N	203.217	-0.675	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H](C1)CS2(=O)=O	1887049659	IRYCOSKBHXDIHQ-PHDIDXHHSA-N	223.681	-0.519	50	10	BBGE	
N#C[C@H](Cl)CN1CC([C@H](O)CO)C1	1887273450	LBZDIUMULQLAFM-JGVFFNPUSA-N	204.657	-0.598	50	10	BBGE	
C[C@@H](CN1CC[C@@H](F)C1=O)C(=O)NN	1889043921	ZSMJTPYIXTUMOR-NTSWFWBYSA-N	203.217	-0.817	50	10	BBGE	
C[C@@H]1OC2(C(=O)NNCCO)CC1C2	1889731692	ZZTSMJHLPLIXDH-PTNSZRNDSA-N	200.238	-0.833	50	10	BBGE	
O=S1(=O)C[C@@H](NC[C@H]2C[C@H]2Cl)[C@@H](O)C1	1893107211	KUFZAXCYWOYPAI-XUTVFYLZSA-N	239.724	-0.639	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)NC[C@H]1C[C@H]1Cl	1893108298	RMORWIQBMCQGQK-PBXRRBTRSA-N	221.640	-0.171	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1893453826	RCKPTJFXNKKUMI-GJMOJQLCSA-N	220.700	-0.348	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@@H](O)C[C@@H](O)C1	1893474434	IWKOIEPXUCLWQH-ULAWRXDQSA-N	219.668	-0.432	50	10	BBGE	
CC[C@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)OC	1896385006	QBRFQUGDICLOIH-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1C[C@]2(CCN(C(=O)C(=O)NN)C2)CO1	1899554936	PCRQUINNSVMMES-XVKPBYJWSA-N	227.264	-0.996	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)C1COC1	1900501183	HUXHRLUPZSPJIK-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@]1(C)N)S(C)(=O)=O	1901343790	GMHXINMIQRORSV-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
CCCNC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	1902505913	MVVFNJZTUGPTOG-DTWKUNHWSA-N	228.101	-0.550	50	10	BBGE	
C=C1C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903008838	BEHGIYCMKUYFTJ-ZETCQYMHSA-N	222.028	-0.690	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CC(=O)NC1=O	1905558711	LCUUTEYNGODYII-RFZPGFLSSA-N	218.640	-0.607	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2COC[C@@H]21	1908818985	FEUXQBCCCXFXAI-BDAKNGLRSA-N	237.259	-0.286	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@@H]2[C@H]1CO)C(=O)NN	1910401438	VHEKBAKRSUFZFP-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
CCN(CCO)NC(=O)C(F)(F)F	1923383331	MWBJIBZLCSGFGE-UHFFFAOYSA-N	200.160	-0.106	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@@H]1C[C@H]1C(=O)NN	1927917065	IEWHFPQDWDXCLJ-XAVMHZPKSA-N	214.265	-0.336	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCCOC1CC1	1927917420	KQDOUFYMTBGBSA-CBAPKCEASA-N	214.265	-0.192	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2C[C@@H]2C1	1927917931	YYERXVQGSYIHDT-DOLQZWNJSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)CCN1CC[C@H](O)C2(CC2)C1	1930176236	VAUCEHZAIPCZQF-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)C1(CSCCC(N)=O)CC1	1931266559	HVMRORCPGKCFHV-UHFFFAOYSA-N	217.294	-0.635	50	10	BBGE	
Cn1c(=O)n(C)n(CCCCl)c1=O	1934715772	XPZUULGIJYMSRM-UHFFFAOYSA-N	205.645	-0.486	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2CCC[C@@H]2C1	1934804252	VOSMNCIRIWREHR-RNFRBKRXSA-N	211.265	-0.329	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)NN(C)C)C(=O)O	1935436759	DLWGHNWLMRUZPE-MUWHJKNJSA-N	215.253	-0.127	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@H](O)CC[C@H]2C1	1941079630	QDLAJEGHFMUSHJ-VPJKUYQRSA-N	239.319	-0.685	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCNC(=O)CC1	1941630436	CNEMZLMYTUDONJ-JTQLQIEISA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H](CCO)C1	1941784107	JRXDDMHAVFPBMO-JTQLQIEISA-N	245.323	-0.913	50	10	BBGE	
CC(C)CN1C[C@@H](C(=O)NNCCO)CC1=O	1944214777	YVYLEVJDMGIZSV-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@H]1C[C@H]1CCl	1954308081	LYLJNYZAXUBCHV-WDSKDSINSA-N	225.697	-0.226	50	10	BBGE	
O=C(CCl)NCCNS(=O)(=O)C1CC1	1955261217	NZGZTLZKPZKQAA-UHFFFAOYSA-N	240.712	-0.577	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	1961364320	HGUCBSUHIWCRIQ-WDCZJNDASA-N	219.191	-0.023	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1961399201	LPICZJIZANBUQN-MRTMQBJTSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1cccnc1Sc1ncco1	1961710668	UDFHJZHZVCQAMN-UHFFFAOYSA-N	222.034	-0.099	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961926988	PNMNUTKRNFGIJW-PYHGXSLLSA-N	233.695	-0.042	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961927287	UBZKPKFSVCHIIT-GOFVFXDOSA-N	233.695	-0.044	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	1974541234	OUQSTMAFODYUSD-KDXUFGMBSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](CO)[C@@H](F)C1	1974559717	ZRQHVEDURWAXLX-YUMQZZPRSA-N	219.260	-0.981	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCC(O)(C(N)=O)CC1	1976904490	QLKODZUMUTZBDM-SSDOTTSWSA-N	248.710	-0.157	50	10	BBGE	
C[C@@H](CN(C1CCC1)C1COC1)C(=O)NN	1977176640	INUFQWAVIBLPFF-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1979480513	ROIQJOCUGZRPRJ-FVMDXXJSSA-N	247.364	-0.689	50	10	BBGE	
OB(O)c1cnccc1N1CCC(F)CC1	1981422208	LKORFHAVEUXJRU-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)CCOC1	1981429072	ACLVKDSZGUWRQU-JTQLQIEISA-N	223.037	-0.681	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](O)C[C@H]1C(=O)O	1983676861	LGFBCDGEUXFXGW-BQBZGAKWSA-N	231.252	-0.918	50	10	BBGE	
O=C(NNCCO)[C@]12CCCCN1CCC2	1986980117	OGJWWBODOBBFBR-LLVKDONJSA-N	227.308	-0.382	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2C[C@H]21	1988002613	ZOSPDXUACLGNKA-IMTBSYHQSA-N	222.028	-0.501	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1990540970	WVCPQEJHDVJNCF-KKZNHRDASA-N	225.292	-0.765	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]2(CCO2)C1	1990776545	MDWQMGUHGATJHC-SNVBAGLBSA-N	227.264	-0.982	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1991331495	PHQHFSXZEBGUKK-CVPUBMOQSA-N	221.065	-0.427	50	10	BBGE	
C[C@@H](CNC(=O)C=CC(=O)Cl)c1nn[nH]n1	1991647809	IRXMCBVQSQUXEC-YFKPBYRVSA-N	243.654	-0.259	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1992141920	AHJORVHONMJVPH-ZOZBQHSOSA-N	219.049	-0.980	50	10	BBGE	
OCC1(CO)C[C@H](NC2CC(Cl)C2)[C@H](O)C1	1995043525	YJADRSBMRNTXMJ-HORUIINNSA-N	249.738	-0.160	50	10	BBGE	
COC[C@H]1CCOCCN1[C@@H](C)CC(=O)NN	1998227558	LKUXIISNLUCHGZ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2001040048	KAYIHWYNIQFSAM-VXNVDRBHSA-N	249.261	-0.420	50	10	BBGE	
CO[C@H]1CN[C@H](CN2CCC(O)(C#N)CC2)C1	2002121735	FVQQJGFPHFOBRB-WDEREUQCSA-N	239.319	-0.286	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)OCC1(C)C	2002289719	GOOMDKXCOYICGB-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
Cc1ccn(Cc2nn(C)cc2C(=O)NN)n1	2003506421	TYUCGZKAHHAGAQ-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(n2cnnc2)C1	2003859797	FPNXSXNHHOFULP-QMMMGPOBSA-N	238.295	-0.707	50	10	BBGE	
COC[C@@H](C)N(C)c1nccc(C)c1B(O)O	2004918657	OEFVFDJQCOAPJX-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CCOCC1	2004919400	YMDYSQJSKBOBLG-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H](C)C2)n1	2005015418	AGTGZRKNOLOBMC-ZETCQYMHSA-N	235.096	-0.381	50	10	BBGE	
Cn1nc(N2CCC(O)(C#N)CC2)nc1CO	2005283353	KAMJXPZNCDEVDU-UHFFFAOYSA-N	237.263	-0.838	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006199442	SKDGOFUNAVYOEV-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
O=C(NCB(O)O)c1ccnn1[C@@H]1CC1(F)F	2008765173	LUVQMFSXVQQJSY-ZCFIWIBFSA-N	244.994	-0.795	50	10	BBGE	
CN(CCC(N)=O)C[C@H]1CC[C@H](C(=O)NN)C1	2010835466	OVZQZMKGBNTMEW-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)COCCN1CC[C@]12C[C@@H](CF)C2	2011140986	XESITWNKMBEVDQ-HOMQSWHASA-N	245.298	-0.183	50	10	BBGE	
CN(C)[C@H]1C[C@H](Oc2ncccc2B(O)O)C1	2012099760	NNSSCYKTRVPSSQ-KYZUINATSA-N	236.080	-0.767	50	10	BBGE	
CN(Cc1ccn(C2CC2)n1)C(=O)C(=O)NN	2013761557	HWOXQYORPUTUDL-UHFFFAOYSA-N	237.263	-0.834	50	10	BBGE	
CC(=O)NNC(=O)CN(CCN(C)C)C(C)C	2019215982	YJNYCKUXBBFCIS-UHFFFAOYSA-N	244.339	-0.574	50	10	BBGE	
COC[C@@H](O[C@H]1COC2(CCC2)C1)C(=O)NN	2020644908	BFQBKRCXHYMXAH-RKDXNWHRSA-N	244.291	-0.281	50	10	BBGE	
C=C(CN(C)[C@H]1CO[C@]2(CCOC2)C1)B(O)O	2021158012	VOWYMWFPEZSKOZ-GHMZBOCLSA-N	241.096	-0.566	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCOC1	2022196393	LQFRJDQOBZDDIT-UHFFFAOYSA-N	235.048	-0.814	50	10	BBGE	
C[C@H]([C@@H]1C[C@H]2CCO[C@H]21)N(C)C(=O)C(=O)NN	2024317083	IISDXHUGBZLOSI-LURQLKTLSA-N	241.291	-0.752	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COc1cccc(C(N)=O)c1	2028045827	SIESDJHFSJYREF-WPRPVWTQSA-N	249.270	-0.210	50	10	BBGE	
CC1(C)C[C@]1(C)C(=O)Nc1ncc(B(O)O)cn1	2040767424	RIIHPSVFHKLRGA-LLVKDONJSA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1cccnc1N1CCN2CCC[C@H]2C1	2052490624	DZJQUAGVUPXMSO-JTQLQIEISA-N	247.107	-0.954	50	10	BBGE	
CC[C@@H]1CN(c2ccncc2B(O)O)CCN1C	2052498977	MIJLLWFJDQNAIX-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
O=Cc1cc(F)c(B(O)O)c(Cl)c1	2059047135	YMBYTCYABRREPO-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1cc([N+](=O)[O-])c(B(O)O)cc1C=O	2060270843	HNYAIXUWAPHCJH-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1cc(OC(F)F)cc(B(O)O)c1C#N	2060293029	QFYKTZKAFFSPOV-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
O=C1CNCC(=O)N1C[C@@H]1C[C@@H]1Br	2209303307	DMPUPCNNCVRPAZ-WDSKDSINSA-N	247.092	-0.272	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](O)C[C@H](F)C1	2209564968	JAQNNIXXFXKJQJ-BQBZGAKWSA-N	245.703	-0.040	50	10	BBGE	
CC(C)COCc1nscc1B(O)O	2209702627	KJWZOAKPKNVFDU-UHFFFAOYSA-N	215.083	-0.005	50	10	BBGE	
C=C(CN1C[C@@H](N(C)C)C2(CC2)C1)B(O)O	2211495342	WEGORNGPLFYFTL-SNVBAGLBSA-N	224.113	-0.419	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCS(=O)CC1	2211827679	LAOIGPGJXUPQBT-IUCAKERBSA-N	245.348	-0.933	50	10	BBGE	
OB(O)c1cnc(=NCC2=CCCC2)[nH]c1	2212604143	TVLSBEGFYGRNHO-UHFFFAOYSA-N	219.053	-0.900	50	10	BBGE	
C=C(F)CN(C)c1cc(B(O)O)c(C)cn1	2212604945	VDTOKAJXXDGBMS-UHFFFAOYSA-N	224.044	-0.011	50	10	BBGE	
C[C@H](CCCN)Oc1cc(B(O)O)ccn1	2212611457	BGXFULNFLYPHQS-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213881510	GCXSWIKOEOOEJV-IVZWLZJFSA-N	247.314	-0.204	50	10	BBGE	
CC1(C)CNC[C@H]1Oc1ncccc1B(O)O	2217171617	FHLSMPCTZAYKGK-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(CNc2ncccc2B(O)O)o1	2217178784	ZQWGCDMIPIQIPH-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CC[C@@H]32)c1F	2217185269	UVIAWSQVWYZANG-CBAPKCEASA-N	236.055	-0.111	50	10	BBGE	
C[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CCN1	2217189241	ABHFGEOAENSJCT-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
COC[C@H]1C[C@@H]1CNc1cc(B(O)O)ccn1	2217200974	NAUVYCYQOKMAIC-RKDXNWHRSA-N	236.080	-0.544	50	10	BBGE	
COC[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C1	2217203448	VFADGPGEUPNVSM-CZMCAQCFSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@H]1CCCNC1	2223628998	SKULHKLIPIPJBL-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
C=C[C@]1(C)COCCN1c1ncccc1B(O)O	2223636807	AYMJORGTQNIFOG-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
CCc1cnc(CNc2ncccc2B(O)O)[nH]1	2223666576	MVPVAXZLABUJAK-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223678769	HSLKGDGNYNGXBM-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
C#C[C@H](C)NS(=O)(=O)N1CC(Cl)C1	2241354609	ZCECDDMIQLUTRC-LURJTMIESA-N	222.697	-0.235	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)C#CB(O)O	2241472289	QAMXQTXZKNKFBB-YFKPBYRVSA-N	204.969	-0.838	50	10	BBGE	
O=C(N1CC[C@@H](F)C1)C1(B(O)O)CC1	2241480952	MYUNBUKEQJNKFA-ZCFIWIBFSA-N	201.006	-0.436	50	10	BBGE	
O=C(OCCl)N1CC(O)(CCO)C1	2241808185	LSNLHOGGPWLQSH-UHFFFAOYSA-N	209.629	-0.252	50	10	BBGE	
O=C(N/N=C1/CCS(=O)(=O)C1)C(F)(F)F	2241883426	MCQOILHZUKCVPT-WMZJFQQLSA-N	244.194	-0.161	50	10	BBGE	
C[C@H](n1ccc(B(O)O)n1)C(F)(F)F	2242479138	ISTCCVYRECGVJC-BYPYZUCNSA-N	207.948	-0.314	50	10	BBGE	
OB(O)c1cnccc1N1O[C@H]2CC[C@H]1C2	2243005204	VHFNZTFQILAOOY-YUMQZZPRSA-N	220.037	-0.566	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(CF)C1	2243362482	RPWQJRMVCSEMFA-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CC1)[C@H](O)CC	2243363233	CULSKYXUCSVICN-JGVFFNPUSA-N	229.085	-0.341	50	10	BBGE	
O=C(N1CC[C@@H](CCO)C1)C1(B(O)O)CC1	2243363903	ODLCGHKVBKFSAA-QMMMGPOBSA-N	227.069	-0.776	50	10	BBGE	
CCOCCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243381127	CIVUHIOHMSROFL-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
CC[C@@H]1CC(=O)N(C(=O)C2(B(O)O)CC2)C1	2243397794	JFCSHHLSZAJODS-SSDOTTSWSA-N	225.053	-0.222	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1sccc1B(O)O	2243407523	ULDQRRWABGBUDN-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H](C)C[C@@H]1C)B(O)O	2243412426	MPYUQSKWRQPFLS-APPZFPTMSA-N	247.125	-0.385	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(C2CC2)C1)B(O)O	2243412458	NDULULFLMIQKJB-UHFFFAOYSA-N	245.109	-0.774	50	10	BBGE	
CC[C@@](C)(CO)NC(=O)C1CC(B(O)O)C1	2243413488	HGSLDLWUYSOPDV-KTOWXAHTSA-N	229.085	-0.483	50	10	BBGE	
NC[C@@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243413537	IGGSMQIXKBXMHL-AMDVSUOASA-N	226.085	-0.907	50	10	BBGE	
CC(C)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2243751749	AMHYPLWKHNUBPT-IZLXSQMJSA-N	229.041	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@H](C)CF	2244149758	POPUQZFYPWTBAM-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
CNCC(C)(C)N(C)CC(=O)NNC(C)=O	2245156040	VUSPBKJGJDIVOE-UHFFFAOYSA-N	230.312	-0.917	50	10	BBGE	
CCCCN(C)C(=O)c1ncc(B(O)O)cn1	2247746274	WQGSTKUFMWELQH-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
CC(C)(C)O[C@H]1CCN(C(=O)C#CB(O)O)C1	2247747631	QDJWLYGJENYZPQ-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1C(=O)C1(B(O)O)CC1	2247754595	NNDODBBKHAUHSQ-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CO2)C1(B(O)O)CC1	2247757214	PIOPNIRRMWNCFC-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
CCON(CC)C(=O)c1cncc(B(O)O)c1	2247760473	IQMNQXKXCCXAKN-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
CCCCN(CC)C(=O)c1c[nH]nc1B(O)O	2247780823	FOSTVTSLCSOGMT-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2B(O)O)C1	2247782426	UQQCHAXYTMMSRJ-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
O=C(NCCCN1CC=CC1)[C@H]1C[C@H]1B(O)O	2247796861	DLTIRCQEHYGXBV-VHSXEESVSA-N	238.096	-0.773	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1[C@H]2CC[C@H]1COC2	2247800733	SAPIOJPLQWZCCQ-QLEHZGMVSA-N	239.080	-0.371	50	10	BBGE	
CCn1nccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247804556	HLUCBEVZHZCZCK-RKDXNWHRSA-N	237.068	-0.618	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808500	LFSDGZWCBRNVSJ-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCCC[C@@H]1O	2247842615	XPQGOBMMDNRTFV-ZJUUUORDSA-N	239.080	-0.846	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)cc1C	2247859076	KJIBVMPKAVAJTQ-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2247868498	GLLFWWIUCYRWJP-QMMMGPOBSA-N	234.064	-0.757	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)C2(B(O)O)CC2)CC1	2247879878	YONYXGWMEMGMSK-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
Cc1cnn(CCNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247895106	OMNKUSQOVQXQDH-RKDXNWHRSA-N	237.068	-0.829	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895684	VAJMYJDFSCEOHA-GUBZILKMSA-N	240.112	-0.421	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH]c1	2247897746	WPGJJSVCBKOGHD-JGVFFNPUSA-N	231.020	-0.823	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247899443	NJBGGXHVCFBDQL-WNPHYYBUSA-N	239.080	-0.467	50	10	BBGE	
CC1(C)CN[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247900385	WJMMDFGZALYXQC-XHNCKOQMSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1CNC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247904083	OSONMCHHWVHELB-AUXWQGHOSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248574416	RHRBNAFFXXGWTF-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248587843	VELBVKOVOSRRIQ-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC[C@@H]1C(F)F	2249164789	NSSPLPBHJRWJQT-SFYZADRCSA-N	245.034	-0.201	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1cocc1B(O)O	2249432602	ZNRAXDGJEIVNPX-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
CO[C@@H](C(=O)NCCC#CB(O)O)C1CCC1	2250001890	DDUVOKZXPDFGHO-SNVBAGLBSA-N	239.080	-0.677	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255468690	FHBLGQPRFOBZAY-JTQLQIEISA-N	246.075	-0.774	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cccc(B(O)O)c1F	2255500235	HRWYBSOPGMCAKD-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1c[nH]nc1B(O)O	2255553068	SZMCETUAXYVWLV-UHFFFAOYSA-N	247.063	-0.928	50	10	BBGE	
C#CCN(CCC)C(=O)c1cc(C)c(B(O)O)o1	2255573535	OILDJBMMPWRFDP-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2255584157	UPTBVDKUYBXNIF-CZMCAQCFSA-N	249.079	-0.346	50	10	BBGE	
Cc1cccc(NC(=O)c2cc(B(O)O)c[nH]2)n1	2255670906	JYVFEHXGKDXVLA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCCO1	2255682957	OJQRDHIYPLASCG-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1ccc(B(O)O)cc1	2255713486	BLWCHGGENASRKQ-MRVPVSSYSA-N	247.059	-0.483	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CCC[C@@H]21	2258124284	AEGPVXXQRLOFCD-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
CO[C@H]1CC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369473	VUQVSKJLIMZQAK-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375170	VBEPEENYYAJXLV-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H](O)C1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300365940	CPUCZMOBXPETOD-FXPVBKGRSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC(O)C[C@@H](C2)C1)C(=O)NN	2301126501	RUNVFRGLILQEKH-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CCCC(=O)NN)n1cc(C(N)=O)cn1	2302045722	WJGFGVRNSFRWFJ-SSDOTTSWSA-N	239.279	-0.297	50	10	BBGE	
CC[C@@](C)(CN1CCO[C@H](CO)C1)C(=O)NN	2303424425	RKMVAHWJMGNDSC-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](F)[C@H](CO)C1)C(=O)NN	2303425255	AUGQMENHQJWQFZ-IQJOONFLSA-N	247.314	-0.345	50	10	BBGE	
CC[C@@H](COC)Nc1cc(B(O)O)c(F)cn1	2303835741	BDUUGKFYKCGSSU-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
OB(O)c1cc(N2CC=C[C@H]2CF)ncc1F	2303835855	DADDEYHFCMESNK-ZETCQYMHSA-N	240.018	-0.385	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)c(F)cn2)CCC1	2303848409	ZBHPICULXCPFML-UHFFFAOYSA-N	234.039	-0.132	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@@H]3CN[C@H]2C3)cc1B(O)O	2312612264	LSTPUFZMANXELB-MIMYLULJSA-N	248.091	-0.801	50	10	BBGE	
C=CCC(CC=C)NC(=O)c1cc(B(O)O)c[nH]1	2313529441	OYLGKFRQBSPABT-UHFFFAOYSA-N	248.091	-0.055	50	10	BBGE	
COC1(CNc2ccc(B(O)O)cc2C#N)CC1	2317150707	IETNFCBRLCFYIZ-UHFFFAOYSA-N	246.075	-0.171	50	10	BBGE	
COC(=O)CC[C@@H](N=C=O)C(=O)OC	6379279	ZMRPWTVIVPCQBI-ZCFIWIBFSA-N	201.178	-0.183	50	10	BBGE	
O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc[nH]1	59166395	JWAVIWOASRKGON-DUJAKZANSA-N	234.259	-0.009	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H]1CC	82468011	NSUJJBJHGAVQLY-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN1C(=O)CC[C@H](NC(=O)CCCl)C1=O	84406435	BWIAAQNLPUCMNX-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN2CCC[C@@H]2C1	94468155	ACWXLNDZNHXUNT-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
COCCN(C(C)C)[C@@H](C)C(=O)NN	131488402	QNDORRJKFXTWNS-QMMMGPOBSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCOC(N)=O	135268464	NEGKOXLMXOJGIC-SCSAIBSYSA-N	237.643	-0.465	50	10	BBGE	
NNC(=O)CCCCCOC1COC1	165766606	ANBKIPPJUVVHIC-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](N)C2)s1	203225819	NSUSQLXHMFTPFZ-ZETCQYMHSA-N	240.332	-0.115	50	10	BBGE	
O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)CCl	232280715	ZUBJKAMRBSWOKO-NKWVEPMBSA-N	216.668	-0.038	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)[C@@H](C)C1	232420455	VVYHMILSAPUZHO-YIZRAAEISA-N	215.297	-0.421	50	10	BBGE	
CO[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1OC	234782426	QSZCIEVPGRDWOE-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
Cn1c(=O)c(B(O)O)cc2ccccc21	238523292	IGSNVZXBASAVJD-UHFFFAOYSA-N	203.006	-0.782	50	10	BBGE	
C[Si](C)(C)OC(=O)[C@H](N)CC(N)=O	238530771	BBPCHVOHLBOBEN-RXMQYKEDSA-N	204.302	-0.433	50	10	BBGE	
OB(O)c1cccc(-c2cnccn2)c1	238650199	XMLUIQGZCIXSLV-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
O=C(OC[C@@H](O)CCl)[C@@H](O)CCl	238673534	HAWXESYYMCLVEA-WHFBIAKZSA-N	217.048	-0.271	50	10	BBGE	
O=[S@](CCO)CCOCCCl	238680405	YCWRJTPNJAGHCN-LLVKDONJSA-N	200.687	-0.017	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN2CCC[C@H]2C1	251012771	ACWXLNDZNHXUNT-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCCCO1	300019701	KYCVWGAXZOVCFK-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NC[C@H]1CCN(Cc2ncccc2C(=O)NN)C1	305947784	MNHGNABNWDYEDJ-SECBINFHSA-N	249.318	-0.534	50	10	BBGE	
Cn1[nH]c(CNC(=O)CBr)cc1=O	307017837	QKOYYAMNPZIIDV-UHFFFAOYSA-N	248.080	-0.276	50	10	BBGE	
CCC[C@H](Cl)[C@H](O)[C@@H](O)[C@H](O)CO	308050475	GSIMLUVFAXEHQL-YWIQKCBGSA-N	212.673	-0.531	50	10	BBGE	
CCOC[C@@H](O)CNS(=O)(=O)CCCl	308634250	AKCNTFKYWUEOAT-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
OB(O)c1cc([C@@H]2CCCNC2)ccc1F	309221522	PQILLQKNSIILOY-SECBINFHSA-N	223.056	-0.028	50	10	BBGE	
Cc1nc(C)n(Cc2ncccc2C(=O)NN)n1	310678463	QXDBGCQSUULCSA-UHFFFAOYSA-N	246.274	-0.058	50	10	BBGE	
C/C(=N\NC(N)=O)[C@H]1COCC[C@@]1(C)O	379699838	CXFDDOZNGWTUKH-NYRSXHEDSA-N	215.253	-0.182	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C(N(C)C)[C@H]2C1	384747501	MGOCTVYPRMMAGD-VGMNWLOBSA-N	226.324	-0.753	50	10	BBGE	
CCC(=O)NCCNC(=O)NC(=O)CCCl	393082568	NESCMTROXKCTIQ-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
CCOC[C@@H](Cl)CN=c1nn[nH]n1C	393656673	JMDKOFZRFGPPHD-LURJTMIESA-N	219.676	-0.312	50	10	BBGE	
CCOc1cc(CCC=O)cc(B(O)O)c1	396102255	RVJKUDODOTYOPO-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
Nc1csc2c(CO)cc(B(O)O)cc12	396253741	VSOYFVFLVXHVNS-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@@H]1O	399925714	QVXQBCKUDNLZRC-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC2CCC1CC2	400023379	MNJDSLXPENQTSY-AMDVSUOASA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCSC1=O	685956469	BNMYUSFCYHADLI-UHFFFAOYSA-N	225.220	-0.220	50	10	BBGE	
OB(O)c1cnn([C@H]2CCOC3(CCC3)C2)c1	694549610	VJEDBAWQGOIJQU-JTQLQIEISA-N	236.080	-0.163	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@@H]1C(=O)O	703093375	ZIISOFNFHMTFLB-WDSKDSINSA-N	217.225	-0.996	50	10	BBGE	
CNNC(=O)CCNC(=O)c1ccoc1	704633319	ZKBZLYGTOHWRKI-UHFFFAOYSA-N	211.221	-0.350	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@H](C)C(=O)NN)CCO1	708954141	UJMRYISZVNDVRG-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@]12CCC[C@H]1C2	710328786	YTNHAYRRMNBJDT-QPUJVOFHSA-N	246.075	-0.110	50	10	BBGE	
CCC(Cn1cncn1)=NNC(=O)CN(C)C	794506416	NXBSNJJGBKBOEP-UHFFFAOYSA-N	238.295	-0.278	50	10	BBGE	
CC(C)OC(=O)NNC(=O)Nc1ncn(C)n1	831835574	QKHPCCFEAPQITN-UHFFFAOYSA-N	242.239	-0.014	50	10	BBGE	
CNC(=S)N(C)NC(=O)CSC	854928023	MRUZOUXXIYJWHL-UHFFFAOYSA-N	207.324	-0.183	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858183569	BGNIKZJPFOQFQE-DSYKOEDSSA-N	240.263	-0.996	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1C[C@H](C)CO1	911439225	LUVQEBUPXJIOOJ-IUCAKERBSA-N	216.281	-0.243	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)c1ccncc1	1440525379	AEPZOJKILBLCCU-UHFFFAOYSA-N	236.231	-0.892	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)CN(C)C)c(C)o1	1457612397	MONKVTRYACVAFM-UHFFFAOYSA-N	240.263	-0.386	50	10	BBGE	
CSCC[C@@H](O)C(=O)NNC(=O)N(C)C	1464550572	PUPPNWDEAXLQAR-ZCFIWIBFSA-N	235.309	-0.597	50	10	BBGE	
Cc1cnc(F)cc1C(=O)NNC(=O)CO	1558958060	JGENBSFRAZLYPM-UHFFFAOYSA-N	227.195	-0.718	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCn2ncnc21)C1CC1	1628294069	OKFMLXISBQKKCU-QMMMGPOBSA-N	249.274	-0.287	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2ncccn2)CCC1	1630234539	YXWKONZMSQDXLH-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
O=C(NCC#CCBr)c1cnn[nH]1	1881931144	OGVFGIBIBKLBDB-UHFFFAOYSA-N	243.064	-0.067	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1883645318	NPQHBQNCPCVZDR-UOWFLXDJSA-N	206.629	-0.858	50	10	BBGE	
O=C(CCl)N1CC[C@@H](O)C[C@@H]1CO	1883943716	XEZXXILYQCDAQV-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
O=C1NCCN(CCCBr)C1=O	1891862883	IIOFRKUKVUTGQX-UHFFFAOYSA-N	235.081	-0.270	50	10	BBGE	
NC(=O)[C@]1(OC[C@@H]2C[C@H]2Cl)CCNC1	1893097917	FUCLJIZQWWJRNM-OOZYFLPDSA-N	218.684	-0.152	50	10	BBGE	
C[C@@]1(O)CON(C(=O)C=CC(=O)Cl)C1	1893411508	YGMCFEMMQHSTSD-QMMMGPOBSA-N	219.624	-0.167	50	10	BBGE	
C=C(CN1C[C@H]2CSC[C@H]2C1)B(O)O	1895169200	JSCNFMLLRLWINA-DTORHVGOSA-N	213.111	-0.151	50	10	BBGE	
C[C@H](O)CCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1899924637	RPMXTPHCJJVXLV-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CCON(C)c1ccc(B(O)O)cc1C#N	1901199077	GIJYMJOOAXSVLQ-UHFFFAOYSA-N	220.037	-0.374	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1[C@H](C)CCCC(=O)NN	1901765170	UWOPUROJWFFOPH-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
Cc1oncc1C(=O)N1CC[C@H](B(O)O)C1	1902521958	LSUUUGZOPQIRKO-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@@H]2CC[C@@H]21	1906866345	FFIYBYURCVQBEG-VHSXEESVSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250002	NQEGZNYZSMTXSZ-LXUNUROVSA-N	239.319	-0.542	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)CO1	1909939350	LZNNAYDXUMXNEJ-JGVFFNPUSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](C)C1=O)C(=O)NN	1912220390	DXLDKGPMQJNOBF-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1CN(C)C1	1928161054	ODFCGJXHOKVOIY-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2COCC[C@@H]21	1936287531	WXEMKQQWPSCBHY-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(N(C)C)C1)C(=O)NN	1937549392	UHVKVSRSZMHQCZ-GXSJLCMTSA-N	228.340	-0.362	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938230273	GSWDAVCAKWQCCG-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3OCCC[C@@H]32)CC(=O)O1	1938612444	ZJHSISRXPWWRFI-HLTSFMKQSA-N	225.244	-0.061	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2OCC[C@@H]2C1	1941771895	AWXOXFYJIDYIJU-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1CCOCC(=O)NN	1941784327	NLDHSGAKLTZYGF-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
N#Cc1ccc(=O)n(CC2(C(=O)NN)CC2)c1	1945915218	NRGAMUZTUYWOCF-UHFFFAOYSA-N	232.243	-0.510	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]([C@@H]2CCCCO2)C1	1947537847	VNGZICJJYFKYGX-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951017429	CEKFKIZZEFEASK-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
COC(C)(C)CC(=O)N1CC[C@@H](B(O)O)C1	1951319958	AXPQWKVGZCEIQN-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
OC[C@H](Br)Cc1nn[nH]n1	1951575194	DSPNCLHOAGSCME-GSVOUGTGSA-N	207.031	-0.502	50	10	BBGE	
NC(=O)NCCCNC(=O)CBr	1953391081	AENPZFSXKGSSIK-UHFFFAOYSA-N	238.085	-0.444	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NNC(N)=O)O1	1955612461	AQBWOUDDZVQUET-RITPCOANSA-N	201.226	-0.357	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2CSC[C@@H]2C1	1958856671	SOLCLDWIFVBBOM-KVSKUHBBSA-N	229.305	-0.766	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ccncc1B(O)O	1961777080	GRXHLAAMSGTGJD-XVKPBYJWSA-N	206.054	-0.394	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@H]1C(N)=O	1962375669	GMUSCRSWESWBHM-ACZMJKKPSA-N	234.683	-0.549	50	10	BBGE	
O=C(N[C@H]1CCn2nnnc2C1)OCCl	1974680724	CRWRTWQJIQWTQI-YFKPBYRVSA-N	231.643	-0.090	50	10	BBGE	
O=C(NCB(O)O)c1ncoc1C1CCC1	1976748329	WSTAZKKFUJTWMF-UHFFFAOYSA-N	224.025	-0.316	50	10	BBGE	
Cc1nn(CCC2COC2)c(C)c1B(O)O	1976924245	OFSUOJPBDXTEKC-UHFFFAOYSA-N	224.069	-0.784	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@@H]1CF	1981143772	OVSIRNWXGVBLOL-SECBINFHSA-N	233.287	-0.183	50	10	BBGE	
C[C@@H]1CCCCN1c1ncc(B(O)O)cn1	1981410399	ZKCFUUQSLOMGJA-MRVPVSSYSA-N	221.069	-0.465	50	10	BBGE	
C[C@@]1(F)CCN(c2ncccc2B(O)O)C1	1981421945	HPOZPVSFLDWLJK-SNVBAGLBSA-N	224.044	-0.300	50	10	BBGE	
CO[C@H]1CC(C(=O)NNC(N)=O)C[C@@H]1OC	1982342214	BHUPRTTWVMSVSU-BQBZGAKWSA-N	231.252	-0.874	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CC1(O)CCC1	1985212995	QFIRMYDRYFWROX-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1[C@H](C)F	1990776390	KAXGGBQEMGCVAC-IONNQARKSA-N	231.271	-0.024	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cn[nH]c1	1991326133	DAPQMRHOBQEERQ-QMMMGPOBSA-N	221.025	-0.760	50	10	BBGE	
COc1ccc(CC#N)c(B(O)O)c1OC	1991779175	YMUZDGDBPCXDPZ-UHFFFAOYSA-N	221.021	-0.550	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2OCC[C@H]2O1	1999557702	FWIGRXLQNMQQAM-UTINFBMNSA-N	243.307	-0.757	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN2CCC[C@H]1C2	2000464934	YJOXPTGWDWMKPB-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CC(C)OCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2001338048	KCNFSWIBXBHNJX-GHMZBOCLSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	2001471437	CIBOSXJKBRYGKT-FSDSQADBSA-N	247.245	-0.226	50	10	BBGE	
CC[C@H](O[C@H]1C[C@H](OC)[C@H](OC)C1)C(=O)NN	2001612136	JIYANGHCOVHPTI-AATLWQCWSA-N	246.307	-0.036	50	10	BBGE	
Cc1nnc([C@H]2CCCN2CCC(=O)NN)o1	2004409790	OOPKFBKPEQHAKO-MRVPVSSYSA-N	239.279	-0.105	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@H]1COC2	2004935245	MCVRIXZCODTYTA-IUCAKERBSA-N	234.064	-0.871	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2C2CC2)n1	2005018712	XKFNVXGTGLRRHY-SNVBAGLBSA-N	233.080	-0.546	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)[C@H]1C[C@H]1F	2006989466	TUSDKISXUPMRKK-POYBYMJQSA-N	241.002	-0.198	50	10	BBGE	
C[C@@H](O)C1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010835104	KRKGXPAQAOWSHF-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC(O)C[C@H]3C2)CC1	2012905037	YAPOKHUJMMDHHJ-IUCAKERBSA-N	239.319	-0.541	50	10	BBGE	
CN(CCCn1ccc(B(O)O)n1)C1CCC1	2018219993	XZBOPLWXHVXBNA-UHFFFAOYSA-N	237.112	-0.563	50	10	BBGE	
C=C1CC(NC(=O)c2ccccc2B(O)O)C1	2022196211	IZTMDIDMGUZFMM-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
C[C@H](NC(=O)c1ccccc1B(O)O)C(F)F	2022197165	YMZNOXYIMOXYBB-LURJTMIESA-N	243.018	-0.250	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H](F)C1	2022199892	LDPACEJLRKDDQO-MRVPVSSYSA-N	237.039	-0.450	50	10	BBGE	
NNC(=O)CCCN1Cc2ncnc(O)c2C1	2025569022	VBRMFMNFWUKNEX-UHFFFAOYSA-N	237.263	-0.732	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1Cc2cncnc2C1	2025620767	CPOPKWGUJGSAHT-YUMQZZPRSA-N	235.291	-0.193	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COc1ccc(C(N)=O)cc1	2028045436	QZEUGONNQIAOGK-WPRPVWTQSA-N	249.270	-0.210	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1nnc(-c2ccco2)n1	2028050554	IFANGHKJKAVRRZ-RQJHMYQMSA-N	248.246	-0.441	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C1[C@@H]2CC[C@@H]12	2041998610	WYTQNEYZRFTAFI-GHMZBOCLSA-N	245.087	-0.361	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2CCC[C@@H]21	2052466113	GBGLLRVMJNZYBF-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
COc1nc(N2C[C@H]3CCC[C@H]32)ncc1B(O)O	2052626322	CGJGLZMKIKCPLF-VXNVDRBHSA-N	249.079	-0.846	50	10	BBGE	
COc1nc(N2CCC[C@@H]3C[C@@H]32)ncc1B(O)O	2052626512	DFYQLVPDQADKPD-APPZFPTMSA-N	249.079	-0.846	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(B(O)O)c1OC	2060015778	JBBUWULENVTLSC-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1cc(F)c(B(O)O)cc1C#N	2060169571	OFPOWHLXOGCZBR-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCC[C@@H]3C2)nc1	2065200764	ZRDDINGYULOVSD-VHSXEESVSA-N	247.107	-0.217	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	2079520044	SGKUYRIKZMTIEO-ZJUUUORDSA-N	248.091	-0.008	50	10	BBGE	
CC(C)=CC(=O)NCCc1ccc(B(O)O)cc1	2084672968	ORETWFRPMCWLPC-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
Cc1ncnc(N2C[C@H]3[C@@H](C)C[C@H]3C2)c1B(O)O	2085518380	FBTMILSBVFBUES-HGNGGELXSA-N	247.107	-0.443	50	10	BBGE	
Cc1cnc(SCCN)cc1B(O)O	2210066891	YEPZSPDDGMQSGR-UHFFFAOYSA-N	212.083	-0.879	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](N(C)C)C(C)(C)C1	2211494088	YXAJELMPKBWZTK-IUCAKERBSA-N	228.340	-0.363	50	10	BBGE	
CN1CC[C@@H](COCC(F)(F)C(=O)NN)C1	2211767476	OZQDWJMXCILWGS-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211838530	IHBHOMJCALXRRM-AEJSXWLSSA-N	229.324	-0.437	50	10	BBGE	
C=CC[C@@H]1CCN1c1cc(B(O)O)ccn1	2212610831	PTLXAKUDNKJVHT-SNVBAGLBSA-N	218.065	-0.084	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H](CF)C2)c1	2212613467	VWXRZFUMIFTMFN-XWEPSHTISA-N	224.044	-0.079	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2215776111	KXAOUOMRNHHTPH-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2216251290	DRGRXJQXBIXWJX-GWOFURMSSA-N	241.335	-0.011	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H]3C2)CCOCC1	2216883913	PCBSYRPNIZULCT-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCN1	2217175067	CPPWYFIKWQJGBH-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCCNC2)c1	2217180707	KDXQDJNMNTUXNG-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
Cc1cnc(N(C)CC[C@@H](C)O)cc1B(O)O	2217183941	LRIJCXNZRCTVRY-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
CC(C)COCCOc1cc(B(O)O)ccn1	2217189059	XNWVXDZJRFSQSD-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCNC1	2217198619	DHUBMDLOXLXKGL-LLVKDONJSA-N	235.096	-0.827	50	10	BBGE	
CC[C@@]1(Nc2ncccc2B(O)O)CCOC1	2217200372	SMVXXLYVLKTRMB-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2ccc(B(O)O)cn2)[C@@H]1C	2217202518	KKVBLFOEYIWUFF-WEDXCCLWSA-N	236.080	-0.403	50	10	BBGE	
C=CCN(CCOC)c1ncccc1B(O)O	2217204919	QSKXWDILAIUHOB-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2222644459	AFKOZMDSZJMIMY-ILWJIGKKSA-N	247.107	-0.300	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CN[C@@H](C3)C2)c1	2223631917	CLIAULBNIOAXRF-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
CCn1nccc1CNc1ncccc1B(O)O	2223642636	LUMIBOVZTBMDKU-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
Cc1cnc(N2C[C@@H](O)C3(CC3)C2)cc1B(O)O	2223647890	DTLUEZZZHXQXBS-SNVBAGLBSA-N	248.091	-0.969	50	10	BBGE	
COc1ncc(Nc2ncccc2B(O)O)cn1	2223675011	OPVKDIOPGZVRKO-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cscc1B(O)O	2243346931	GBENMWRBQXBIQS-QMMMGPOBSA-N	239.105	-0.044	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCC12CCC2	2243356017	AEFVPVAETKVDAU-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@@H]1N	2243358436	HBTVAELIWTYBRM-ZETCQYMHSA-N	226.085	-0.811	50	10	BBGE	
CCN1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243363372	FVUGVVJMBKXTIT-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1O)C1(B(O)O)CC1	2243364346	VQIZFPPSXXPCSA-JGVFFNPUSA-N	227.069	-0.587	50	10	BBGE	
COC1(CF)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243381717	IUGNMVHTDGLJNK-NKWVEPMBSA-N	231.032	-0.954	50	10	BBGE	
CSC1CN(C(=O)c2occc2B(O)O)C1	2243399121	WZCYYHYYZDVRSA-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1CCC1(C)C	2243401421	QWSJVBOJZSCROJ-DTWKUNHWSA-N	223.081	-0.057	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)s1	2243408556	PKJMODXQOPGBTP-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
C=CC(C)(C)NC(=O)c1sncc1B(O)O	2243415134	OSWWLTREYYIVEH-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
C=CC(=O)N(C)Cc1ccccc1B(O)O	2243685057	MNSMCRLXCLLIRR-UHFFFAOYSA-N	219.049	-0.489	50	10	BBGE	
O=C(Nc1ncco1)c1sccc1B(O)O	2245939101	BZWAGTCEWFTYQG-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(Nc1ncco1)c1ccoc1B(O)O	2245940633	NLQLNCOEIKHNES-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1coc(B(O)O)c1	2247734604	TYGPHGFHQUSUMB-QMMMGPOBSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N(CC1CC1)CC(F)(F)F	2247742493	PLBGQAYZRSIGCT-UHFFFAOYSA-N	248.997	-0.197	50	10	BBGE	
O=C(Nc1cncnc1)c1occc1B(O)O	2247758333	VAQUEQBHYIUNCO-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@@](C)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(N)=O	2247786989	JPPZRMWTTZRPKT-MATHAZKKSA-N	242.084	-0.990	50	10	BBGE	
N#CC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(F)(F)F	2247790294	GPVVWWWQFURYFD-PBXRRBTRSA-N	249.985	-0.190	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@@H](C)CO1	2247797892	OEPOKVNUYNDAKR-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CO[C@H]2C[C@@H]1C2	2247809069	NKZCQYFARPRMFD-ZOZBQHSOSA-N	239.080	-0.515	50	10	BBGE	
N=c1cc(NC(=O)C2CC(B(O)O)C2)cc[nH]1	2247810641	YYMSUDOCXLTIGD-UHFFFAOYSA-N	235.052	-0.314	50	10	BBGE	
O=C(NC[C@@H]1CCCCCN1)[C@H]1C[C@@H]1B(O)O	2247810730	ZSPPDGWOPJVHDJ-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
COc1ccnc(C)c1NC(=O)C#CB(O)O	2247847501	YBRKBGVDLGAFJC-UHFFFAOYSA-N	234.020	-0.647	50	10	BBGE	
COC(OC)[C@H](C)NC(=O)C1CC(B(O)O)C1	2247854698	HJCKKDYXNBUHSF-KKMMWDRVSA-N	245.084	-0.637	50	10	BBGE	
C[C@H]1COCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247859336	MBWPWTPEYZPBQU-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CCC2)[C@H]2C[C@H]21	2247879816	YAZRSFZNTZWEPF-BDAKNGLRSA-N	238.096	-0.702	50	10	BBGE	
O=C(NC1CN(CC2CC2)C1)[C@@H]1C[C@@H]1B(O)O	2247898833	IATVEXQCELDHQD-ZJUUUORDSA-N	238.096	-0.940	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247905592	USYKEVMFDBMHMX-WOOKNIGNSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@@H]1N	2247910639	QMPMFMZYMQZGJH-WOOKNIGNSA-N	240.112	-0.565	50	10	BBGE	
CCN(OC)C(=O)c1ccc(B(O)O)cc1O	2247963681	ZDHZIGGMVCXVPC-UHFFFAOYSA-N	239.036	-0.905	50	10	BBGE	
C[C@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)CC(=O)O	2248585101	GMQYQKSBMSZVES-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1C[C@H]1C(=O)O	2248587653	SEUZZOBVIOSIOR-LYFYHCNISA-N	241.052	-0.781	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cc(B(O)O)co1	2249410463	NIKSUJCMAPHEDU-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2cncc2C1	2249744250	VFVZQOLABJXDQW-SNVBAGLBSA-N	237.307	-0.143	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC(C)C1	2251793760	YUXUDKAKEDZATI-VCZAYRLQSA-N	241.096	-0.219	50	10	BBGE	
CCn1ccnc1NC(=O)c1ccoc1B(O)O	2255465363	JTYNVXGOWKMUGG-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2occc2B(O)O)C1	2255487329	NLJSPLIDMOSLET-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC1(C2(NC(=O)c3cc(B(O)O)c[nH]3)CC2)CC1	2255672946	MLVYGYOZFKRLLU-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ncc(B(O)O)cn1	2255774275	KJEQEXVOLJNKIZ-NSHDSACASA-N	249.079	-0.925	50	10	BBGE	
O=C(NCC=CB(O)O)c1cn2ccccc2n1	2256598248	NTIUPQXKBBMINL-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(C(=O)O)cc1	2256918625	NIQDOEMJRLBBGE-UHFFFAOYSA-N	247.015	-0.637	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cc(O)cc(O)c1	2258957300	NALOVZRGYKIXBS-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
Cc1cnc(OC2(C3CC3)COC2)cc1B(O)O	2260060913	UVWRHHIDOFOBEV-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
COC[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165525	HVUNBEHAXDNZTA-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C2	2298560637	QNVQMRZVBFTNHW-UFFKNHFXSA-N	239.080	-0.467	50	10	BBGE	
CN1CC(COCCC[C@H]2C[C@H]2C(=O)NN)C1	2300355278	ATZMLWPMQGVKAH-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1[C@H]2COC[C@H]1C2	2300376464	YNOVLERNJZWYGS-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
CN(C)CCNc1ccc(B(O)O)cc1C#N	2301339722	WKCJAVATVXXJPQ-UHFFFAOYSA-N	233.080	-0.788	50	10	BBGE	
N[C@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2301419507	PYORNPXOUGOWFG-QWRGUYRKSA-N	234.064	-0.920	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)c1ccc(B(O)O)cn1	2309864589	IOYWCYXIFRZEHP-NHCYSSNCSA-N	248.091	-0.768	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312948701	ABKWZPFQZBCPFR-UTLUCORTSA-N	248.091	-0.641	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1c1ncccc1B(O)O	2314228686	RGDJMWRQYMYNOK-QWRGUYRKSA-N	248.091	-0.723	50	10	BBGE	
CNC(C)(C)COc1ccc(B(O)O)cc1C#N	2317160355	CMGRHMCFNWPXCA-UHFFFAOYSA-N	248.091	-0.385	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(B(O)O)cc1C#N	2317161460	MDUILGXFBIFHRI-LBPRGKRZSA-N	240.071	-0.160	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317168332	SXSYMQSDVCYYDA-RKDXNWHRSA-N	248.091	-0.257	50	10	BBGE	
NNC(=O)c1cc(-c2cccnc2)nnc1O	77060036	GKACZXKNWHLPSP-UHFFFAOYSA-N	231.215	-0.152	50	10	BBGE	
C[C@@H](N)CSCc1cc(C(=O)NN)no1	85311422	ORGHMHUXAHLNKG-RXMQYKEDSA-N	230.293	-0.142	50	10	BBGE	
NNC(=O)NCCCC(=O)NC1CC1	86276241	WSHWGMWSSAFMPP-UHFFFAOYSA-N	200.242	-0.782	50	10	BBGE	
CO[C@H]1O[C@H](CCl)[C@@H](Cl)[C@@H](O)[C@@H]1O	105286797	VPDVIMQPZYMQKN-OVHBTUCOSA-N	231.075	-0.074	50	10	BBGE	
COCCNC(=O)[C@H](C)NC(=O)CCCl	161792792	RKWJPYKRLGJXBD-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NCCCl)C[C@@H](C)O1	170331615	OHSCAVWBAXTCJE-OCAPTIKFSA-N	248.710	-0.023	50	10	BBGE	
C[C@H](O)CNS(=O)(=O)CCCl	232298998	KOSFJUDVHTXNFA-YFKPBYRVSA-N	201.675	-0.475	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H](O)CCCO	238422988	QRWDUDNASLOFLT-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
O=C(CBr)N[C@@H]1COC[C@H]1O	306281565	XEBKKLLEKXTUCH-RFZPGFLSSA-N	224.054	-0.743	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H](C)Cl)CC(=O)N1	307041901	LFVCFPOTLSJWAW-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
C[C@H]1CN(S(C)(=O)=O)CC[C@H]1N=C=O	307058188	LWSYIJOZZUBNBD-JGVFFNPUSA-N	218.278	-0.008	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNS1(=O)=O	307551390	SILRDJJTSDIABD-RXMQYKEDSA-N	209.658	-0.733	50	10	BBGE	
CN(C)S(=O)(=O)[C@@H](C#N)C(=O)CCl	307937980	RSKIHBMGBQZTMA-LURJTMIESA-N	224.669	-0.422	50	10	BBGE	
COCc1c(B(O)O)ccc2c1OCCO2	380668213	ZNOQLHWFDBGGMY-UHFFFAOYSA-N	224.021	-0.716	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCOC(C)(C)C1	383920191	ZMKKZBVOZIOZDC-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CN(C)C1[C@@H]2CN(C(=O)NC(=O)CCl)C[C@@H]12	384948951	VDJJEOSTYPJZLJ-RNFRBKRXSA-N	245.710	-0.047	50	10	BBGE	
CN(C(=O)CCCCl)C(CO)CO	388577645	AAAZASIUNGMJPK-UHFFFAOYSA-N	209.673	-0.183	50	10	BBGE	
N#Cc1csc2cc(B(O)O)c(CO)cc12	396219199	KHDFJPKLYHDPGX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N#Cc1cc(B(O)O)cc2sc(CO)cc12	396230213	XRCOEYLHFDLFRX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCC1	585065222	CGLIPKBWVJPWOD-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CNC(=O)O2)CC1	687798355	QGCZPLFZGAIDMZ-QMMMGPOBSA-N	225.248	-0.555	50	10	BBGE	
Cc1ncc(CN(C)CCCC(=O)NN)n1C	689556786	MYEQGINNANJHFZ-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2COC[C@H]2C1	690724379	RWIKJWDRXQJADU-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CO[C@H](C2CC2)C1	691781584	WDOWTLXSBXIBQI-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2CCNC2)CC1	692124635	NBDSKPMGSALDQD-SNVBAGLBSA-N	237.303	-0.137	50	10	BBGE	
CO[C@@H]1CCC[C@H](n2ccc(B(O)O)n2)C1	694274827	DVEUMQVKBZVCSL-DTWKUNHWSA-N	224.069	-0.307	50	10	BBGE	
CO[C@@H]1CCC[C@H]1n1cc(B(O)O)cn1	694545020	VBHYYLLRMYVIKC-RKDXNWHRSA-N	210.042	-0.697	50	10	BBGE	
CCO[C@H]1CCN(CCCC(=O)NN)C1	701693608	VASIGVKDURXOOO-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CNNC(=O)CN(C)C(=O)c1ccco1	704632945	VOWBDLJRWSIMLT-UHFFFAOYSA-N	211.221	-0.398	50	10	BBGE	
NC(=O)NNC(=O)CCc1cccnc1	706014930	JEIBKBNGVNEQEW-UHFFFAOYSA-N	208.221	-0.286	50	10	BBGE	
CN(C)C[C@@H](Cl)CN(C)CCn1cnnn1	712592283	AJJSAUSXEHVXRZ-SECBINFHSA-N	246.746	-0.226	50	10	BBGE	
C[C@H](CN1CC[C@@H]2OCC[C@H]2C1)C(=O)NN	724821176	DFIRRXZPANDSNE-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C)C=NNC(=O)C(=O)NC(C)C	755892138	LGMQQPGIQHUHLL-MRVPVSSYSA-N	229.280	-0.105	50	10	BBGE	
CN1CCC[C@H](C(=O)NNc2cccnn2)C1=O	907328917	HXJNXBAWYSBBSX-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	911503712	VQNLGWPZRFXDSR-MRPMEHKTSA-N	242.275	-0.504	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\[C@H]1COC(C)(C)O1	1136378294	FDYQRTHDYRRVIM-MJSGSUOKSA-N	243.263	-0.346	50	10	BBGE	
CCOCCC(=O)NNC(=O)c1ncon1	1585613781	NUQFDYYCLJRQBY-UHFFFAOYSA-N	228.208	-0.743	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1ccnnc1	1630215771	UHYJVYBRWHHARU-XQRVVYSFSA-N	236.231	-0.212	50	10	BBGE	
CC/C=C/CNC(=O)NNC(=O)c1ncon1	1681400442	HUDWPUAUPDVWKL-ONEGZZNKSA-N	239.235	-0.020	50	10	BBGE	
Cn1nnc(CC(=O)N/N=C/c2ccc[nH]2)n1	1860773561	AMDBPBWZXPQSFG-IZZDOVSWSA-N	233.235	-0.769	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Br	1877346642	AEKZXLOSUJSIFO-UCROKIRRSA-N	249.108	-0.388	50	10	BBGE	
CNNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C	1880022657	GJOYJAUIVBYXEG-RQJHMYQMSA-N	247.295	-0.489	50	10	BBGE	
O=C(CO)NC[C@H]1C[C@H]1Br	1880108070	UMOFDGMPHRCOIP-RFZPGFLSSA-N	208.055	-0.122	50	10	BBGE	
NOCC(=O)NC[C@H]1C[C@@H]1Br	1880435211	ZQKRAVGIODAIHZ-UHNVWZDZSA-N	223.070	-0.224	50	10	BBGE	
N[C@@H](CNC1CC(Br)C1)C(=O)O	1880963998	CLVUUIPOTNSSND-WRVKLSGPSA-N	237.097	-0.086	50	10	BBGE	
O=C(NOCCCl)[C@@H]1CCS(=O)(=O)C1	1888299659	ABVHSMXYMWKMED-ZCFIWIBFSA-N	241.696	-0.292	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1C[C@@H](O)CN1	1893127262	GTDXZGKDQKHULZ-YWIQKCBGSA-N	218.684	-0.547	50	10	BBGE	
NC(=O)C1(O)CN(CC2CC(Cl)C2)C1	1893490845	NDAVSVNYUIIFPU-UHFFFAOYSA-N	218.684	-0.464	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894665147	IWMRIRQTRDTCCD-IQJOONFLSA-N	227.308	-0.685	50	10	BBGE	
C=C(COC[C@H]1OCC[C@@H]1C)B(O)O	1895212009	LTPWPZQNIFXLFG-IONNQARKSA-N	200.043	-0.004	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271793	ICAPZLWFHLMLMO-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CCC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1CO	1897989134	SMZVUDJHCYMBNS-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@H]2CC[C@H]2N)CC1	1900758058	RMMKKZNDFKSDTN-ZJUUUORDSA-N	241.316	-0.038	50	10	BBGE	
CN(NC(=O)C[C@@H]1CC[C@@H](N)C1)S(C)(=O)=O	1901377143	KVONLTJISNRAMI-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
C#CCN(CC)c1cc(B(O)O)c(F)cn1	1903005979	NIQIEVYWXCIZTL-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
COc1nc(C)cc(=O)n1C[C@H](C)C(=O)NN	1912228047	RREMXNGHGZEACY-LURJTMIESA-N	240.263	-0.814	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN=S1(=O)CCOCC1	1913866528	GTLIDTPDUPLQQV-JGVFFNPUSA-N	247.320	-0.889	50	10	BBGE	
CC(C)[S@@](C)(=O)=N[C@H](C)C(=O)NN	1913904848	ZXOLEXILZJQXMF-CAAJLBCPSA-N	207.299	-0.129	50	10	BBGE	
C[C@H](CCO)N(C)Cc1nc(C(=O)NN)co1	1916500411	KRAQDUSWJKRNNM-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043633	UVBNQDMWSBPOID-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)CCC(=O)O)CC1	1917055059	RZCVWKRZAVTFCT-SECBINFHSA-N	237.259	-0.139	50	10	BBGE	
N#C[C@@H]1C[C@H]1C(=O)NNC(=O)C(F)(F)F	1923406714	NQNQVQQLJPKTOT-IUYQGCFVSA-N	221.138	-0.144	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)C(F)(F)F)nn1	1923833579	BFLKFPKCNITOLS-UHFFFAOYSA-N	249.152	-0.419	50	10	BBGE	
CO[C@H]1CCCC[C@H]1NC(=O)C(=O)NN	1927824578	IMZLKCOVEDWJIK-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
N#C[C@H](Cl)CN1CCS(=O)(=O)CCO1	1928710890	WSIHDLGVFJGHFV-ZETCQYMHSA-N	238.696	-0.221	50	10	BBGE	
O=C(CBr)N[C@@H]1COC[C@H]1CO	1928736153	RWMUQLYBFDNLIK-PHDIDXHHSA-N	238.081	-0.495	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@H]1CO	1929740439	IRLWCIZFLZVHRD-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
Cc1nc(=N[C@@H]2COC[C@@H]2Cl)n(C)[nH]1	1930283940	VHVOAYZSPKUUFY-NKWVEPMBSA-N	216.672	-0.036	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1932373959	ZWQKMBSOTOMGKC-XAVMHZPKSA-N	215.272	-0.098	50	10	BBGE	
Cn1cnc([C@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934427925	MWRITQVJEGAMCX-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
CN(CC(=O)NN)[C@H]1C[C@@H]2COC[C@@H]2C1	1934806324	PXQNVSXXZCXVEW-BRPSZJMVSA-N	213.281	-0.667	50	10	BBGE	
CCOc1cnn(C[C@H]2C[C@@H]2C(=O)NN)c1	1936084426	NITUWOZZSKHONF-APPZFPTMSA-N	224.264	-0.092	50	10	BBGE	
C[C@@]1(C#N)CCN(CCOCC(=O)NN)C1	1936530065	PGIJTVTUCVUDKV-JTQLQIEISA-N	226.280	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937460687	JNZGCHGWNCDCFX-RXKWGBCNSA-N	227.308	-0.829	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)O1	1938246657	KFJRFEMHBJXANS-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1938361185	HGWMDOYHUFVPLH-HTQZYQBOSA-N	230.312	-0.659	50	10	BBGE	
CCCN(CCOC)C[C@H]1C[C@@H]1C(=O)NN	1939256046	MNZULHCJRAPEDU-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
Cc1ncn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1C	1941087324	MYPYSOUOMXVIKM-RKDXNWHRSA-N	236.275	-0.514	50	10	BBGE	
OB(O)c1cnn(C[C@@]23CCC[C@@H](CO2)C3)c1	1942411709	HSNHVFUSVVNSEE-KOLCDFICSA-N	236.080	-0.478	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](N(C)C)CC12CCC2	1949696784	HVJUQIBFFRUSPO-VHSXEESVSA-N	240.351	-0.077	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@@]12CC2(F)F	1956904000	JANDSCGJCFLLLO-BBIVZNJYSA-N	205.164	-0.269	50	10	BBGE	
NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCl	1957175549	QPCMMUYMBOXYCI-WDSKDSINSA-N	240.712	-0.244	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@H]1F	1974659258	NKEFSMFTQUVNQK-IUYQGCFVSA-N	230.029	-0.881	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(F)(F)C[C@@H]1CO	1976196589	CVPUZBDBQUVMEG-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
CCC(C)(C)C(=O)N[C@H](CB(O)O)C(=O)O	1976979636	NPYYENHDWQWTIW-ZCFIWIBFSA-N	231.057	-0.535	50	10	BBGE	
CSC[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976993399	AIJACVHRERACHZ-NTSWFWBYSA-N	249.097	-0.972	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CC2(CC2)CO1	1979379822	OBFJKAZSCJBPER-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
Cn1nncc1CCNC(=O)NC(=O)CCl	1984655751	RWSNYTXAISXPOK-UHFFFAOYSA-N	245.670	-0.578	50	10	BBGE	
Cc1ccnc(N2CC[C@H]2CF)c1B(O)O	1986084974	QUGYNLLDMQXEKK-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H](O)C[C@H]2C1	1986732594	SIGLRRNYOBTVHO-ILWJIGKKSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CS[C@H](C)C1	1988350942	JKRGIILMGNNISF-HRDYMLBCSA-N	247.364	-0.183	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(N)cc1C	1989371320	NTFNYLVRBPDBCZ-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
ClC[C@H]1COCC[C@@H]1NCCn1cnnn1	1989878142	VXVWKVWRVKBLHC-IUCAKERBSA-N	245.714	-0.093	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](CF)C1	1990775671	YVQMNTMEDLFMCU-VIFPVBQESA-N	231.271	-0.165	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOCC12CNC2	1991650578	NWSTYSDKIXCBDQ-UHFFFAOYSA-N	244.678	-0.491	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@H]2C[C@@H]21	1995196791	BHCXDRGUAKIWHE-ACLDMZEESA-N	220.037	-0.666	50	10	BBGE	
NNC(=O)CCCN1CCO[C@]2(CCOC2)C1	2002822328	KDLOOISLXUPQES-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2ncnc2C1	2003927233	XNWXEARQCBZJEP-QMMMGPOBSA-N	238.295	-0.748	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H](C3)C2)nc1	2004911590	IVNLYPYDXGKTIP-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)[C@H](C)C1CC1	2004913773	ILKGXSOTNIVWMY-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CCc1nccn1-c1ncc(B(O)O)cc1C	2005007351	FGYODISPXXODBE-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
COc1nc(N2CC(C)(C)C2)ncc1B(O)O	2005015330	YZQCECHHPOPPCJ-UHFFFAOYSA-N	237.068	-0.989	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(C2(O)CC2)CC1	2013931018	WVVMBEIPJAITLL-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1c(F)cccc1B(O)O	2014603153	BNWCICQPWVMAIK-XCBNKYQSSA-N	240.039	-0.081	50	10	BBGE	
Cn1ccc(C2CN(CCCC(=O)NN)C2)n1	2019134907	VNRUOPQLYQRUPN-UHFFFAOYSA-N	237.307	-0.411	50	10	BBGE	
OB(O)c1ccc(CN2[C@H]3COC[C@H]2C3)cc1	2021408188	XKCBIPZDHKTBGJ-VXGBXAGGSA-N	233.076	-0.661	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023851697	BHCIBAAKQVDFHQ-QSFUFRPTSA-N	239.319	-0.134	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)CCC(N)=O)CC1	2025576767	OJOCMNUEZNAICK-VIFPVBQESA-N	236.275	-0.739	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2CCC[C@H]21	2052466112	GBGLLRVMJNZYBF-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
CCc1cc(B(O)O)cc([N+](=O)[O-])c1C=O	2060034682	RRYITCDCIJYFHT-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCc1cc(C#N)cc([N+](=O)[O-])c1B(O)O	2060282026	AUXLABOQFNYJPY-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)c1ncnc(C)c1B(O)O	2079404553	MKBAQLGAXBVQJY-VHSXEESVSA-N	249.123	-0.053	50	10	BBGE	
CC[C@@H](COC)C(=O)N1CC[C@H](B(O)O)C1	2208731296	CZABUFZAOQWFLQ-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@H]1C[C@@H]1Cl	2208909008	JZRMUCSNNGJXBX-RITPCOANSA-N	241.696	-0.294	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CCC12CC2	2211247668	YZMXGJYCVMMDSV-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
N#CCN(CC#N)C[C@@H]1CC[C@@H]1C(=O)NN	2211837920	ABRVCOPJTHCSCG-IUCAKERBSA-N	221.264	-0.648	50	10	BBGE	
COC1CC(COc2nc(B(O)O)cs2)C1	2212234385	VNRTUJLXPPDVIV-UHFFFAOYSA-N	243.093	-0.373	50	10	BBGE	
OB(O)c1ccnc(NCc2cocn2)c1	2212602123	YWNPJAWUOKHXQY-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2213955341	YZJGFWSGPZGSFG-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@@]1(CO)C=CCN1CCC(F)(F)C(=O)NN	2215689874	ANWLDOPQCZDIHP-VIFPVBQESA-N	249.261	-0.376	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2CC2(F)F)[nH]c1	2217173741	UGAGEHPOZXJTCL-ZETCQYMHSA-N	242.034	-0.360	50	10	BBGE	
C#C[C@@H](CC(C)C)Nc1ncc(B(O)O)cn1	2217175794	NIWRXNQPUJZTBK-JTQLQIEISA-N	233.080	-0.384	50	10	BBGE	
OC[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217176929	BZQIAVIUKYSIRV-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217182363	COCHVOVUHLXOLT-WCBMZHEXSA-N	238.096	-0.359	50	10	BBGE	
CCC[C@H]1C[C@@H]1Cn1cc(B(O)O)cnc1=O	2217411675	WUWGLBUWTCQGQK-DTWKUNHWSA-N	236.080	-0.641	50	10	BBGE	
Nc1cccc(COc2ccc(B(O)O)cn2)c1	2223643991	CSDVQIMECHYZEJ-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
C=CC1(Oc2ccc(B(O)O)cn2)CCNCC1	2223652149	CAOSIXRLTVLCQN-UHFFFAOYSA-N	248.091	-0.552	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)[C@H](CN)C1	2223670877	DQRLKZSGUHOIIC-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
O=C(NCCCCF)[C@@H]1C[C@@H]1B(O)O	2241496545	UPFMJEHAYDRYHA-RQJHMYQMSA-N	203.022	-0.285	50	10	BBGE	
O=C(Cl)C=CC(=O)NC/C=C/CO	2242016489	PHUMFQLLWKUCPI-BRHLVPALSA-N	203.625	-0.027	50	10	BBGE	
CC1(OCCCCC(=O)NN)COC1	2242122474	RMOGWOJIOBVREI-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2C[C@@H]2C)n1	2243085167	GNSXBZSRLULCFK-XPUUQOCRSA-N	223.037	-0.443	50	10	BBGE	
O=C(N1CC[C@]12CCOC2)C1(B(O)O)CC1	2243364428	XBMGDNONZDPPTJ-SECBINFHSA-N	225.053	-0.615	50	10	BBGE	
O=C(NCCc1nncs1)[C@@H]1C[C@@H]1B(O)O	2243391790	OJJAOUBNOTXOQK-RITPCOANSA-N	241.081	-0.940	50	10	BBGE	
Cc1nc(CNC(=O)C#CB(O)O)sc1C	2243400652	FRLBQKWDZRZBCW-UHFFFAOYSA-N	238.077	-0.608	50	10	BBGE	
C[C@@H](c1ccco1)N(C)C(=O)C#CB(O)O	2243400909	JMAGBKNFBBRGTB-QMMMGPOBSA-N	221.021	-0.186	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1csnc1B(O)O	2243412499	NZLYHVKIWKQUSH-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COC[C@H]21	2243426307	GJSKHPHNUUVRAR-XSPKLOCKSA-N	225.053	-0.903	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243758510	GXCDUFFURXAIRM-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
C=CCN(OC)c1ncc(C)cc1B(O)O	2244267733	WJDQGFPOSAICMN-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
O=S(=O)(NCCC#CB(O)O)C1CCCC1	2244541595	MRLZIVWHJLHQCB-UHFFFAOYSA-N	245.109	-0.746	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247740816	QBIFSRLENGCUOY-PRJMDXOYSA-N	237.064	-0.266	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(CN)cc1	2247744772	XZQDTSVIQWQQPC-UHFFFAOYSA-N	232.048	-0.877	50	10	BBGE	
C[C@@H](Cn1ccnc1)NC(=O)C1(B(O)O)CC1	2247753611	HXEGJMUSOODMLV-QMMMGPOBSA-N	237.068	-0.605	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)C1(B(O)O)CCC1	2247753834	JZLRSYKZVGSTOE-VIFPVBQESA-N	240.112	-0.277	50	10	BBGE	
C#CCO[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247758002	TXJVQNBHGKVQNL-SECBINFHSA-N	237.064	-0.756	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247787306	NFQQXOOUCLVSLG-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
CCN(C)C(=O)c1cc(C)cc(B(O)O)c1F	2247796473	ZSEFWZZLFFYSRQ-UHFFFAOYSA-N	239.055	-0.094	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247796986	FHZRNSVBCCPSLF-KGDYZURWSA-N	240.112	-0.791	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1ncc[nH]1	2247800235	NCCHKMGNYQANTB-JECWYVHBSA-N	237.068	-0.160	50	10	BBGE	
CC[C@H](C)N(CC)C(=O)c1c[nH]nc1B(O)O	2247800523	PWFZNMRZNSVWMU-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
Cc1ocnc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247808818	MRHGWJUZKFTWIQ-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1cc(B(O)O)c[nH]1	2247848867	RJPOMRPJYDJXNF-YFKPBYRVSA-N	244.006	-0.921	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247871618	FEEPHKSKUQOUFW-RKDXNWHRSA-N	241.096	-0.266	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CCC1	2247874960	RBCRLMNANIBFJW-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CN(CCCCCCN)C(=O)[C@@H]1C[C@@H]1B(O)O	2247886900	HOKJDYHQANKZDT-ZJUUUORDSA-N	242.128	-0.173	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)N1CCC1	2248212948	XIEBXWDACSDCNJ-UHFFFAOYSA-N	239.015	-0.862	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248573844	KHKNESVUMZIYCV-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
O=C(Nc1ccncn1)c1cocc1B(O)O	2249427818	LRWGMQRSSWAGBL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2249574654	GSCMCKICUWQOAP-XSPKLOCKSA-N	239.080	-0.921	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1[C@H]2CCC[C@H]1C2	2255450092	TYBMMHLLMHLIIX-IUCAKERBSA-N	246.075	-0.472	50	10	BBGE	
Cc1ccoc1CNC(=O)c1cc(B(O)O)c[nH]1	2255463200	GBXQQFMYUAOYPC-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CCC[C@@H]21	2255472141	CQWXZZIVPQNNOU-KWQFWETISA-N	248.091	-0.291	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC=C(F)C1	2255498785	WGXKOEWZJJSZQM-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C[C@H]3C[C@H]3C2)c1	2255514340	HJVUHXCHEHMCAT-PHIMTYICSA-N	245.087	-0.233	50	10	BBGE	
CC12CC(CN1C(=O)c1cncc(B(O)O)c1)C2	2255517029	SFZBXIOQNZNYHT-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1	2255571813	RZFQURAJTFCQLV-RKDXNWHRSA-N	249.079	-0.427	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ncncc1B(O)O	2255729988	DLTSONBERQULCN-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(NC(=O)c2cocc2B(O)O)ncn1	2258136782	NXNPCYUNBDKDFU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@]1(COC[C@@H]2C[C@H]2C(=O)NN)COCCO1	2298175702	ACEMIOVDRNBFQG-NGZCFLSTSA-N	244.291	-0.566	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCCCN	2301347298	ZNYDVAIJWQRGFG-UHFFFAOYSA-N	233.080	-0.611	50	10	BBGE	
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CC[C@@H](B(O)O)C1	2303100971	DUNWSNORUHFBOC-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303112880	AUDDAKQBNMBFIY-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CN(C)C(C)(C)C(N)=O)C(=O)NN	2303421603	VLXLDEYBTPTUDY-LLVKDONJSA-N	244.339	-0.412	50	10	BBGE	
C#C[C@H](Oc1cc(B(O)O)c(F)cn1)C(C)C	2303860545	HEBXJWZTLQJHLA-JTQLQIEISA-N	237.039	-0.063	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)c[nH]1	2312848113	NLWROMKWILAWJG-HGNGGELXSA-N	248.091	-0.387	50	10	BBGE	
CS(=O)(=O)CCNC(=O)CCCl	37739828	IZSVYKRMGCALCR-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
COc1cccc(C(=O)NNC(=O)[C@@H](C)N)c1	49828523	LIDZKLLJVPXFHV-SSDOTTSWSA-N	237.259	-0.197	50	10	BBGE	
CN1CCC(N(C)CC(=O)NN)CC1	58863585	SIFGGTHFUKJGIG-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
O=S1CCN(S(=O)(=O)CCCl)CC1	84171663	AHXCXSNSOCWSJS-UHFFFAOYSA-N	245.753	-0.381	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H](CO)C1	86313260	MERJDOJWOFMWKZ-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(CN1CCC[C@H](N)C1)C(=O)NN	86597920	OQCUOPDFFMVVRK-QMMMGPOBSA-N	214.313	-0.574	50	10	BBGE	
NNC(=O)c1ccc(Cn2ncccc2=O)nc1	94764162	QTNSZFZZLQLNDV-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
NC(=O)OCCNS(=O)(=O)CCl	135273041	MEVXKKQCECBHOK-UHFFFAOYSA-N	216.646	-0.803	50	10	BBGE	
Cn1ccc(NC=C(C=O)C=O)nc1=O	136073498	FYJZDXGRQNGZBS-UHFFFAOYSA-N	207.189	-0.526	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOC[C@H]1CCl	159495206	WRWNTTJKRGAQOC-SSDOTTSWSA-N	242.728	-0.268	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@@H](CCl)[C@@H]1O	210773780	FRMQBZPOJJJUAQ-OMMKOOBNSA-N	201.049	-0.047	50	10	BBGE	
COC[C@@H](C)N(C)[C@@H](C)CC(=O)NN	216479188	FBXXPBWJAPWZQY-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(F)F	232420775	UHLMNOQETOBWEM-YFKPBYRVSA-N	211.212	-0.812	50	10	BBGE	
OCc1cnc(Br)c(B(O)O)c1	238728404	MXWCNSYBZQHHSY-UHFFFAOYSA-N	231.842	-0.984	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCOC[C@@H]1C	313763825	YEXLYKXEWMLTII-NSHDSACASA-N	249.119	-0.104	50	10	BBGE	
CN(C)CC1CN(CCCCC(=O)NN)C1	382355310	SBSQGULDVVFADN-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
C=C[Si](OCC)(OCCN)OCCN	388694812	LWXOEMQCJXBPRQ-UHFFFAOYSA-N	220.345	-0.362	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1S	396055601	DSRRSZOYIDQUNY-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
Nc1ccc(B(O)O)c2cc(C(=O)O)sc12	396241409	IWSCJCRILSHDNO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1cc2ccsc2c(B(O)O)c1CO	396331252	DEDPLUKFQRZHSQ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1csc2c(O)cc(B(O)O)cc12	396383947	OQKSBUKRDWLHGH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CSSCCNC[C@H](N)C(N)=O	397808404	XXNHIFYIYWJYTD-YFKPBYRVSA-N	209.340	-0.600	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398860675	XOQFYZWPOVOXMQ-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCN1CCC(CCO)CC1	400999086	FYVFMLYFSAXTJG-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
CN(C)C(=O)N(C)Cc1csc(B(O)O)c1	405145228	LZCIYFDAHCKYBZ-UHFFFAOYSA-N	242.109	-0.459	50	10	BBGE	
NS(=O)(=O)N1CCO[C@H](Cl)C1	616643827	BJUDNIYYVIRZCA-BYPYZUCNSA-N	200.647	-0.913	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2COC[C@@H]2C1	690721497	GKSUMXCGVUUPSY-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
COC[C@H](SCCCCCN)C(=O)NN	698060741	XOCGEQDZJPYSLF-QMMMGPOBSA-N	235.353	-0.147	50	10	BBGE	
CC[C@H]1COC[C@@H]1N1CC(=O)OC(=O)C1	699871801	CSSNVKWLSIPZDF-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	701949976	FOMHYRBYEFYATC-RNFRBKRXSA-N	231.252	-0.796	50	10	BBGE	
OC[C@H]1C[C@H](O)CN1CCOCCCl	704651394	KTDMRLQVIGZQFF-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](CO)[C@@H](CO)C1	705329298	KKMTYOFYTPCBLM-XLPZGREQSA-N	221.684	-0.327	50	10	BBGE	
ClCCOCCNCCn1cnnn1	712591513	IZWLUTREXJNEDC-UHFFFAOYSA-N	219.676	-0.482	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@]12COC[C@H]1C2	717998491	RZIGGBKIQOXYNF-NKIIXMILSA-N	223.228	-0.308	50	10	BBGE	
C[C@@]1(CO)CCCN1CCC(=O)NN	723000556	PRHKHUYLXLKYMK-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1cnsn1	753673671	MVAMDKKTDIWAKF-UHFFFAOYSA-N	222.176	-0.436	50	10	BBGE	
COc1nccnc1C=NN(C)C(N)=O	793035645	YSXSUKCZGJKNCL-UHFFFAOYSA-N	209.209	-0.170	50	10	BBGE	
CN(NC(=O)c1cc(C(N)=O)cn1C)C1CC1	819649146	HUIJCYJGEZRRIV-UHFFFAOYSA-N	236.275	-0.137	50	10	BBGE	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNC(=O)NC	823424411	CAJARMKLDJJFOF-MRVPVSSYSA-N	242.279	-0.583	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)NC(C)C	824403938	HIVNKRRVWCRCFO-LURJTMIESA-N	201.226	-0.728	50	10	BBGE	
CC[C@H](CO)C(=O)NNc1nnc(C)n1C	856046420	JNLUAVYQZGCUFA-SSDOTTSWSA-N	227.268	-0.415	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cn[nH]c1	858185528	WJOAQADETNPJLT-IYSWYEEDSA-N	223.236	-0.238	50	10	BBGE	
O=C1N[C@@H]2CNNN2[C@@H]2CC[C@@H](Cl)C[C@@H]12	953054999	LEWHXSZSXLNXAB-XUTVFYLZSA-N	230.699	-0.457	50	10	BBGE	
CCNC(=O)CCC(=O)NN(C)CCOC	1140544997	KXZZEESOOANXEU-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
CC(C)OCC(=O)NNC(=O)c1ccnnc1	1142447708	ZGCFTZRVMANSKC-UHFFFAOYSA-N	238.247	-0.337	50	10	BBGE	
O=C(CO)NNC(=O)c1ncc2ccccn12	1306819279	AOHPJUJOGDBDCU-UHFFFAOYSA-N	234.215	-0.912	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1350826346	ALEINJYVBRQDCH-HTQZYQBOSA-N	232.243	-0.054	50	10	BBGE	
Cc1ncoc1C(=O)NNc1cnnn1C	1472570533	WBUHAGJVYAOLLV-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccccn1	1540339274	KEWRYJAHWZDHRE-LLVKDONJSA-N	235.243	-0.220	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnn(C)c1Cl	1583712564	RAGCVNFEDAPGCB-UHFFFAOYSA-N	245.670	-0.011	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1cc(C)[nH]n1	1624383404	SMUBWNARLDDPIY-JTQLQIEISA-N	240.263	-0.360	50	10	BBGE	
CC(=O)NNC(=O)C[C@H]1C=CS(=O)(=O)C1	1624651945	QZWSKGALGURQRO-SSDOTTSWSA-N	232.261	-0.898	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2COC2)cn1	1629622674	AEIOLKUAASPZDC-UHFFFAOYSA-N	238.247	-0.782	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NCC[C@H](C)F	1686581434	MHPLJUQHWAEDCC-YFKPBYRVSA-N	235.215	-0.762	50	10	BBGE	
CNC(=O)CNC(=O)[C@H]1C[C@@H]1Br	1881363764	ANFHENDZNOWWBZ-WHFBIAKZSA-N	235.081	-0.368	50	10	BBGE	
OC[C@@H]1[C@H]2CN(C[C@@H](O)CCl)C[C@H]21	1882366193	NXKCBZOCDLZVDR-RBXMUDONSA-N	205.685	-0.244	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883639076	KFRIPJTWWYCHGQ-UCROKIRRSA-N	205.641	-0.822	50	10	BBGE	
CCOCCS[C@@H](COC)C(=O)NN	1886275431	UGHVUTHJVCRBQQ-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H](F)C1	1887274438	XQLSLZOIAGGLBH-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
CCC[C@H](COC)C(=O)NNCCO	1890247698	GIUOXAWTINONFI-MRVPVSSYSA-N	204.270	-0.338	50	10	BBGE	
CCNC(=O)c1csc(C)c1B(O)O	1892456407	KOYQNJSHJRGKPH-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CC(=O)NN)[C@H]1C	1892768783	YFCYQHQHJMHPPP-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
O=C(N[C@@H]1CNCCOC1)[C@H]1C[C@@H]1Cl	1893454144	UHUXTEKEOGUVGI-CSMHCCOUSA-N	218.684	-0.282	50	10	BBGE	
O=C(NCCc1nn[nH]n1)[C@H]1C[C@H]1Cl	1893469631	KZJITURGICZTAG-CRCLSJGQSA-N	215.644	-0.514	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1896022293	IUFZAGSFTKOEEM-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(CF)C2)O1	1896175296	HDIHLYTXZDEEJW-BDAKNGLRSA-N	231.271	-0.575	50	10	BBGE	
C[C@H](O)CN(C)CCC[C@@H]1C[C@H]1C(=O)NN	1900505797	HVLXUDRWJBXEHO-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CN(NC(=O)C[C@H](CN)C1CC1)S(C)(=O)=O	1901374644	FWCQWIRMMLIXHU-MRVPVSSYSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)c1cncc(N)c1)S(C)(=O)=O	1901376870	HKIVAKNJCXQPBZ-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2ccncn2)C1	1902517506	ZKAWHYTVLCLJHP-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902520552	CAPLEUUTIKSSGS-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CCS(=O)(=O)CCCN1CC[C@H](B(O)O)C1	1902541111	LVJIEYXBFRQXEB-VIFPVBQESA-N	249.141	-0.640	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2cnccn2)C1	1902550092	HHJYMSRZCLNPSF-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
NNC(=O)C(=O)NC1(C(F)(F)F)CC(F)C1	1904648771	LISISTJXVGGFHC-UHFFFAOYSA-N	243.160	-0.475	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1906343778	CIMXMMAZPQVEHK-BTQIBKBOSA-N	239.319	-0.419	50	10	BBGE	
COc1ccc([C@H](N)B(O)O)cc1OC	1912278042	PUDYVMRPCMQDSN-VIFPVBQESA-N	211.026	-0.284	50	10	BBGE	
CS(C)(=O)=NCc1nc(C(=O)NN)co1	1913512085	FNUXNLDKIWIOIH-UHFFFAOYSA-N	232.265	-0.494	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1ccc(C(=O)NN)o1	1914254250	IWBXWQWIUUEKQB-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)C1(C)C	1914329661	BOLSQUZRVPXNDJ-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(OC)CC1	1915710924	PBNLINWYBSTLBI-SECBINFHSA-N	230.312	-0.676	50	10	BBGE	
N#CC1=CCN(CCC(=O)N2CCNCC2)CC1	1917081602	GURJXFTZHZCEJQ-UHFFFAOYSA-N	248.330	-0.036	50	10	BBGE	
C[C@@H](CCl)CNS(=O)(=O)N1CC(O)C1	1921671969	SLPFDCUUKQKOSQ-LURJTMIESA-N	242.728	-0.628	50	10	BBGE	
C[C@H](NC(=O)NNC(=O)OC(C)(C)C)C(N)=O	1923407110	JVGADZQGWANNTH-YFKPBYRVSA-N	246.267	-0.401	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H](F)C1	1928181718	QFYFQJUHVCFKIB-MRVPVSSYSA-N	219.260	-0.573	50	10	BBGE	
BrCc1noc(Cn2cnnn2)n1	1928696576	PCNJVSQVSJLBFJ-UHFFFAOYSA-N	245.040	-0.001	50	10	BBGE	
CS(=O)(=O)c1sccc1CNC(=O)NN	1930701877	LPYNHVQDPSDYLK-UHFFFAOYSA-N	249.317	-0.176	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@@H](CC1=O)C2(F)F	1931861815	ZHSZKUUKJVYFSS-RFZPGFLSSA-N	219.191	-0.910	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C(=O)N1C	1936022967	YTQZUTZQBSSUHH-SSDOTTSWSA-N	228.296	-0.242	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	1936079338	FJERDAYXPBIBLI-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCOC1	1936090013	XWBQQSJQNFTKGF-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CC1(C)COCCN1C[C@H]1C[C@@H]1C(=O)NN	1936093590	FYCRYZDZRWJVRR-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CC[C@]1(O)CCN(CC(=O)NNC(C)=O)C1	1937986009	WDLWHHUYVUQRMQ-JTQLQIEISA-N	229.280	-1.000	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940641962	AAVWBKUTHLNWNG-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CCC1(O)CCN(CCOCC(=O)NN)CC1	1941772316	HOSYMCVSARXDDU-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CN(CCN(C)C1CC1)C[C@@H]1C[C@@H]1C(=O)NN	1941990809	CZBGMBOVYACUNK-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)[C@H](C2CC2)C1	1943085437	VKHLTXCOVXKMGR-JGVFFNPUSA-N	249.261	-0.686	50	10	BBGE	
CN1CCOC[C@@H]1C(=O)N1CC=C(C#N)CC1	1949990617	AUQMFJAPIYGYLY-LLVKDONJSA-N	235.287	-0.001	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)CCCl	1955276534	MUECHZRSLUKBJQ-QMMMGPOBSA-N	225.672	-0.899	50	10	BBGE	
CN(C)C1(C)CN(CCC(=O)NN)C1	1955538545	IXSOKEGENWWNLW-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H](CNC(=O)C[C@@H](C)Cl)S(N)(=O)=O	1957318208	MBJPSGIBOPKTKS-RITPCOANSA-N	242.728	-0.203	50	10	BBGE	
NNC(=O)N1CCC[C@@]12CCS(=O)(=O)C2	1958157460	HTMMGBJNOSMLSQ-QMMMGPOBSA-N	233.293	-0.777	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](N2CC(O)C2)C1	1958208836	ANUPFAFWDNKLRP-SFYZADRCSA-N	232.711	-0.109	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2C=C[C@H]1C2)C(=O)NN	1958748144	OTZLTAYUJDOHDR-PRJMDXOYSA-N	209.249	-0.601	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@H]1C[C@@H]1C(=O)NN	1960618509	ORGPQRSSQFDUMB-FYHVHOSDSA-N	234.325	-0.813	50	10	BBGE	
O=C(NNCCO)c1cnn2c1CCC2	1960690990	CPYKXSBAHLIWLA-UHFFFAOYSA-N	210.237	-0.944	50	10	BBGE	
NNC(=O)N1CCN([C@@H]2CCSC2)CC1	1961480930	AUXMPALSDNSCAS-MRVPVSSYSA-N	230.337	-0.307	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)CC1(C)C	1980723623	VAOLYKVVYNKTHW-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC1CCN(c2ncncc2B(O)O)CC1	1981414827	WPIAHWDIPWWSFS-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]2C)n1	1981468425	BLAZXCQWYKCMTA-ZETCQYMHSA-N	221.069	-0.546	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](CO)[C@@H](F)C1	1983560017	PPFRFRUWJHUBPT-IUCAKERBSA-N	233.287	-0.591	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2CCCC(=O)NN	1987530847	HZJSSNWPBHZILT-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@@]1(CO)CNCCN1C(=O)/C=C/C(=O)Cl	1991702916	AFKSYHHRROFFDG-PBKGFPTLSA-N	246.694	-0.509	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@@H]1C1CCOCC1	1992972245	VLSFUHKANXWIHN-SFYZADRCSA-N	227.264	-0.251	50	10	BBGE	
CCON(C)CC12CC(C(=O)NN)(CO1)C2	1993891683	UGZQTIMPZCTWCQ-UHFFFAOYSA-N	229.280	-0.591	50	10	BBGE	
CCCN(Cc1nn(C)cc1C(=O)NN)OC	2003506204	PVYFIQVBJXUBFO-UHFFFAOYSA-N	241.295	-0.203	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1(CO)CCCC1	2003914819	ZRHVRPVPFORJLR-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCCNC1=O	2004248522	XTKLUZYCXANNDJ-DJLDLDEBSA-N	242.323	-0.789	50	10	BBGE	
Cc1nc(N(C)CCC(C)C)ncc1B(O)O	2004974053	FGGSQUZLGQJSNS-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
C[C@H](CN1CCO[C@@H](C(C)(C)O)C1)C(=O)NN	2005914167	XHQLJXVSUVUBKZ-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](C(F)F)CC2=O)CC1	2006138329	HCZGKDXMCPFOBH-ZCFIWIBFSA-N	247.245	-0.130	50	10	BBGE	
CC1(C)CN(CCF)CCN1CCC(=O)NN	2006416800	FCFNPWREDDZAMJ-UHFFFAOYSA-N	246.330	-0.268	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012905294	YXBCBFUKJFJGNS-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
C=C1CON(C[C@H]2CCC[C@H](C(=O)NN)O2)C1	2018244426	ZREJUINPOHTCOQ-NXEZZACHSA-N	241.291	-0.283	50	10	BBGE	
CC[C@@H]1C[C@@H]1COc1ncnc(C)c1B(O)O	2022579149	KYLXYUMWPVHTAJ-RKDXNWHRSA-N	236.080	-0.110	50	10	BBGE	
CCN1CCCN(c2ccncc2B(O)O)CC1	2052490272	APUOMRJYNOSJMT-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1cnc(N2CC[C@@]23CCOC3)c(B(O)O)c1	2052623369	IKKRQHJKHBQMKD-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCCc1ccc(B(O)O)cc1	2058048828	IAQJWLGWZDUOLT-CABZTGNLSA-N	247.103	-0.319	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC[C@H]3C[C@@H]32)n1	2071009961	IHROKLZUUVRJQV-GUBZILKMSA-N	248.091	-0.110	50	10	BBGE	
O=C(NCC#CB(O)O)c1c[nH]c2ccccc12	2077483427	OPTXORKCERJYGU-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)[C@@H](C)CO1	2209553506	WOJSJIVOOUGDIY-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
C[C@@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2209887148	SKAGMJRDVYTKJE-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
NCCCSc1ccc(B(O)O)cn1	2210063925	DPNUOMZLHAVUDG-UHFFFAOYSA-N	212.083	-0.798	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CO)CCC1	2212248833	GHMWJVKKWUZEHN-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CNCC[C@H](C)Oc1cc(B(O)O)ccn1	2212607870	FFXZGAUFAXFXTQ-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C[C@H](O)C1(Nc2ncccc2B(O)O)CC1	2212610043	BFQMMUSGQLSLOX-ZETCQYMHSA-N	222.053	-0.913	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	2213352615	GAWFNHVCGMKDLJ-IMICNGSGSA-N	239.319	-0.542	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2214598424	HCFHHQWKSFVJQP-MWLCHTKSSA-N	231.060	-0.655	50	10	BBGE	
CCN(CC(=O)NC)C[C@@H]1CC[C@@H]1C(=O)NN	2215771669	JKDXBHYAGKFGTA-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
COCCC1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215776842	PCNUMMRBRGNCMV-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
N#C[C@@]12CN(CCCC(=O)NN)C[C@H]1CCO2	2216068006	JXQADRSFZQYKNM-MWLCHTKSSA-N	238.291	-0.629	50	10	BBGE	
Cc1nn(C)cc1Nc1ncccc1B(O)O	2217177241	HCYBCILEEJWODL-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
Cc1cnc(N[C@]2(C)CCNC2)cc1B(O)O	2217182767	CSXNSGLWRWHILE-LLVKDONJSA-N	235.096	-0.766	50	10	BBGE	
NC1(CCCOc2ncccc2B(O)O)CC1	2217187094	SWOJIBFZADUBPQ-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@@H]1CNC[C@H](Nc2ccc(B(O)O)cn2)C1	2217199156	KKITVPXDPBBVLH-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
CC(F)(F)CCCN=c1ncc(B(O)O)c[nH]1	2217199260	LAKAYQIYVDTHNW-UHFFFAOYSA-N	245.038	-0.574	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)C(C)(C)O	2217200583	UFIUZESMBLHCLE-MRVPVSSYSA-N	239.084	-0.882	50	10	BBGE	
OB(O)c1ccc(N2N[C@H]3CC[C@H]2C32CC2)nc1	2223642286	ZRAZDWVUDYZHLG-UWVGGRQHSA-N	245.091	-0.603	50	10	BBGE	
OB(O)c1ccc(OC2CC3(CCNC3)C2)nc1	2223644705	MPNGMRKKXUVDBI-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)c(C)s1	2241475165	SAVANWPCXMYIPG-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
CP(C)(=O)CNC(=O)c1coc(B(O)O)c1	2243347009	GKSNNSJZONIBPA-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C1CCC1)C1CC1	2243349096	FZGWMLDQHKRIKW-LLVKDONJSA-N	221.065	-0.303	50	10	BBGE	
N#CCCCNC(=O)c1ccc(B(O)O)s1	2243349943	STJLOYLWRRSJJN-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1ccoc1B(O)O	2243356799	NADPCIJQVXMKBY-VDTYLAMSSA-N	243.455	-0.684	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243362350	PRYBDFIHCWRFPG-SSDOTTSWSA-N	222.053	-0.754	50	10	BBGE	
N=c1cc(NC(=O)C2(B(O)O)CC2)cc[nH]1	2243363299	DQJOKZIAMSVZCW-UHFFFAOYSA-N	221.025	-0.560	50	10	BBGE	
O=C(NCCc1nccs1)C1(B(O)O)CC1	2243366195	YNEUIQUMOHHEQQ-UHFFFAOYSA-N	240.093	-0.191	50	10	BBGE	
C#CCNC(=O)c1c(C)cccc1B(O)O	2243374699	ISOHVQWASPYGSQ-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
CSC[C@H](NC(=O)C#CB(O)O)C(C)(C)C	2243400096	VVFTUQVUXUEDBV-QMMMGPOBSA-N	243.137	-0.104	50	10	BBGE	
O=C(NC1CC=CC1)c1ncsc1B(O)O	2243408092	GWGWLOVTIUXEDP-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CCN(O)C(=O)c1ccc(C)c(B(O)O)c1	2243409794	PBXNPQGCKYZNTH-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C[C@H](C[S@@](C)=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427496	WKLVCUYXVSLGQY-SMPKHWKESA-N	247.125	-0.877	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2243758613	IJZNJAVHMYYONO-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
NC[C@H](CF)Oc1cc(B(O)O)c(Cl)cn1	2245913723	XBKJGCVEWBHVFI-YFKPBYRVSA-N	248.450	-0.910	50	10	BBGE	
O=C(NCC1=CCOCC1)C1(B(O)O)CCC1	2247732858	KCBACQZLNXLZIX-UHFFFAOYSA-N	239.080	-0.154	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCOC2)c1	2247751964	GDZLYDAPIRENTN-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1n[nH]cc1B(O)O	2247784567	XIGYMCNNHCAYNR-KNVOCYPGSA-N	237.068	-0.898	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247790860	JYIUOJDNDKUCCG-XSPKLOCKSA-N	237.064	-0.223	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1O	2247791828	OZPHMHHTDRAGOU-BZNPZCIMSA-N	241.096	-0.485	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCOC1	2247797203	HABADNOZASKRBA-AEJSXWLSSA-N	237.064	-0.900	50	10	BBGE	
CCC[C@@](C)(O)CNC(=O)C1CC(B(O)O)C1	2247797846	NMMZCSYTCFZDOM-NWGYLPEXSA-N	243.112	-0.093	50	10	BBGE	
C[C@@]1(CN)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247801207	YIJRJAJZBAFSOA-QXEWZRGKSA-N	240.112	-0.563	50	10	BBGE	
O=C(NC[C@@H]1CO[C@H]2C[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2247804159	FLVMFYYMUHRCHP-SPFKKGSWSA-N	239.080	-0.610	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@H](O)CC1	2247809413	ZDWOXQZGJXWVOT-GUBZILKMSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1COC2CC1C2)[C@H]1C[C@H](B(O)O)C1	2247810711	ZOTWLOGQNBTXLA-KNJCMARUSA-N	239.080	-0.467	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1[C@H]2CCC[C@H]1C2	2247847326	VRHAZLUXVVNYOC-YUMQZZPRSA-N	235.048	-0.274	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247848661	OTCAONQXSZBDMM-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1ccoc1B(O)O	2247851394	FBAJUACBDQZURY-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)[C@@H]1CO	2247853577	OGQPMIRFRQVPAM-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
CCN1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247859555	NUIWMCIXZKMGPJ-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247877112	CBAGNEYELOZHFQ-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)C1(B(O)O)CCC1	2247877702	JBBZYMNHWPRUNH-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC1CC2(CCOC2)C1)[C@@H]1C[C@@H]1B(O)O	2247887708	RBOZVOFMEVBBKE-GWMJWBFUSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)C1CC(B(O)O)C1	2247892794	HZBNMCLEFKYDEI-XNWIYYODSA-N	240.112	-0.598	50	10	BBGE	
Cc1nn(C)cc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247897464	SODBFCOIKABTKN-OCAPTIKFSA-N	237.068	-0.080	50	10	BBGE	
CN(CCNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247899574	OIIPCGJWLTXBCL-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1N	2247899958	RTJHAPDYLFTZBI-HRDYMLBCSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CCNC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247901775	AGFLVXZLBVVYSD-NFTFJBJSSA-N	240.112	-0.646	50	10	BBGE	
C=CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248574666	UGFINTXYHFAJRY-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2248586461	BAQORLKFNHGXBM-OSMVPFSASA-N	241.052	-0.781	50	10	BBGE	
CCN(CCCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248590830	IPYGBKBDQOHXQJ-JGVFFNPUSA-N	243.068	-0.437	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249408603	RFKRRSAXLNKFFH-QMSLJYSESA-N	237.064	-0.409	50	10	BBGE	
CN(C)CCOCc1c(F)cccc1B(O)O	2251320311	GFFHTOUZXFWPBA-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC23CCC3)n1	2254574064	PGCGVSXHUWXGHQ-UHFFFAOYSA-N	248.091	-0.097	50	10	BBGE	
CC1(C)CC(NC(=O)c2ccc(B(O)O)cn2)C1	2255523158	QDHDXGDXDUYVBY-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1nccc(CNC(=O)C2CC(B(O)O)C2)n1	2255568308	LFPGUPQXQMNNJE-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
Cc1ccnc(C(=O)NC2[C@@H](C)[C@@H]2C)c1B(O)O	2255581923	RXDTUJVKYZAWNC-YUMQZZPRSA-N	248.091	-0.546	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NOCC1CC1	2255688649	YNOPAPVWHOBLRN-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
C[C@]1(NC(=O)c2ccc(B(O)O)cn2)C=CCC1	2255715830	KTUNPTBNSJUIPR-LBPRGKRZSA-N	246.075	-0.400	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ccncc1B(O)O	2255728442	GMCQLWYYWQHMQQ-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2nccnc2B(O)O)C1	2256063549	ZHJNWZVUJYKFGB-YUMQZZPRSA-N	249.079	-0.925	50	10	BBGE	
C[C@@H](C#N)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298369578	YTPXUNMFEHJLBZ-SFGNSQDASA-N	236.080	0.000	50	10	BBGE	
CC[C@@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369649	AOBVCACPHLZJMS-SZEHBUNVSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1COC(C)(C)CO1	2300922082	VZPCTIACUDTDCX-BDAKNGLRSA-N	246.307	-0.035	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@H]3CCO[C@H]32)C1	2303109468	RLFPVBACAGDIMA-CDLYGTGVSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@](C)(B(O)O)C2)CO1	2303110074	XERNSVIPMDBEKH-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCc2cccnn2)C1	2303121514	XLINLWFKHKUFJH-LLVKDONJSA-N	235.096	-0.042	50	10	BBGE	
OB(O)c1cc(N2CCC[C@H]3C[C@H]32)ncc1F	2303847608	LIHGTSYXBHUFFD-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
C#CC(C)(C)COc1cc(B(O)O)c(F)cn1	2303852044	IPBRWQALZBJMTH-UHFFFAOYSA-N	237.039	-0.061	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnc3cccnn23)C1	2319655290	FIFWJUSUUXLPAG-VIFPVBQESA-N	246.079	-0.222	50	10	BBGE	
CC(=O)NNC(=O)CSc1ccncc1N	37189702	BCFKAOMPHULNHB-UHFFFAOYSA-N	240.288	-0.077	50	10	BBGE	
N#Cc1ccccc1NC(=O)C(=O)NN	58839639	VOOGVXPLOVEFLT-UHFFFAOYSA-N	204.189	-0.513	50	10	BBGE	
CC(C)Cn1nc(C(=O)NN)ccc1=O	82448392	PGZINDHJQHQPBY-UHFFFAOYSA-N	210.237	-0.497	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](O)C2)s1	82468693	LSJOPRFBQFNSRD-SSDOTTSWSA-N	241.316	-0.082	50	10	BBGE	
CC[C@H](C)N1CCN([C@@H](C)C(=O)NN)CC1	82471110	CXIZZVJXQKXWQD-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1cc(C(N)=O)cn1	82471516	ONZHJIZHTQMUFL-LURJTMIESA-N	225.252	-0.687	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@H](O)C1	104111744	KDETZPWKOQHKFQ-QWRGUYRKSA-N	235.287	-0.216	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCS[C@H](C)C1	123642946	VUCNTNKNOKUFQJ-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
NC[C@@H]1CCCN1CC(=O)NNc1ccccn1	131861763	OZHWKOJVNNQIPV-JTQLQIEISA-N	249.318	-0.052	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)NN(C)C	165775857	LQVKQRGBFZPLEM-NTSWFWBYSA-N	203.242	-0.129	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C(F)(F)F	196867969	IKGOYPRCMDRFFI-UHFFFAOYSA-N	232.954	-0.133	50	10	BBGE	
N[C@@]1(C(=O)O)CCS[C@H]1CCCB(O)O	200585531	HXRXQLHBLUTUOJ-XPUUQOCRSA-N	233.098	-0.473	50	10	BBGE	
CNC(=O)[C@@H](CCl)N[C@H](C)C(=O)OC	210163603	PJHCZZUCGVKTKQ-PHDIDXHHSA-N	222.672	-0.509	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	226579341	ZOEQVAQOLTWHKW-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@@H]1C	232420627	BDIROYYVDWNSSV-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
COc1cc(C#N)cc(OCC(=O)NN)c1	234810798	CPBXONMBUVLUTK-UHFFFAOYSA-N	221.216	-0.064	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@](C)(C(N)=O)C1	235596791	MAMCKSDEJRWYKW-VAOFZXAKSA-N	242.323	-0.802	50	10	BBGE	
O=C1OCC[C@H]1NS(=O)(=O)CCCCl	236034404	KKSOIIDLFWIWBK-ZCFIWIBFSA-N	241.696	-0.150	50	10	BBGE	
CC(=O)CC(=O)c1ccc(B(O)O)cc1	238083902	CRVOPNGZYGXECB-UHFFFAOYSA-N	206.006	-0.472	50	10	BBGE	
OB(O)c1ccccc1-c1cncnc1	238628622	UCVGTYXYHXZLJP-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CN1CCC[C@@H](C[C@@H](N)C(=O)NN)C1	258998765	MMSNNZLMJZTVIT-JGVFFNPUSA-N	200.286	-0.965	50	10	BBGE	
CC(=O)c1ccc(OCC(=O)NN)c(N)c1	261046848	MYPXBUNABIJEMW-UHFFFAOYSA-N	223.232	-0.160	50	10	BBGE	
NNC(=O)Cn1c(O)nc(=O)c2ccsc21	304535318	JORLVAMDZXWVML-UHFFFAOYSA-N	240.244	-0.847	50	10	BBGE	
CO[C@H](C)CN(C)[C@H](C(=O)NN)C(C)C	308910395	WOINGZJUSXBKBF-BDAKNGLRSA-N	217.313	-0.032	50	10	BBGE	
CC(=O)CC(=O)c1ccc(B(O)O)cc1F	309278432	HTKFVUZJWXUAKK-UHFFFAOYSA-N	223.996	-0.333	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@H](C1)C2(C)C	380347910	KSEOMONIDJRHAB-XHNCKOQMSA-N	227.308	-0.421	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)C1(C)C	381561656	QMKHPFQLLVZRTK-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)[C@@H]1CCOC1	387038997	UNTNUPXZDPZGBZ-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSC[C@@H]1CO	388146826	FMCMNLZOWOFVCH-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
CCOc1nc2c(B(O)O)cccc2o1	396116226	JCZJLLZDMJVGDB-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
O=C(O)c1cc2sc(B(O)O)cc2cc1O	396378898	IDHOSWKYANQJBU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1ccncn1	396942644	UZGYVEFTCQLNEY-LURJTMIESA-N	243.650	-0.013	50	10	BBGE	
CSSCCNC(=O)[C@H]1C[C@H](O)CN1	397842924	CPQPYZXWIWQJEU-NKWVEPMBSA-N	236.362	-0.163	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C	584991560	CTRXWKGIPQYCNG-RKDXNWHRSA-N	233.076	-0.153	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C(=O)CCl	690197809	CVBNAUHHCGEYNK-ZETCQYMHSA-N	208.689	-0.394	50	10	BBGE	
COC(CN1CCC(O)(C#N)CC1)OC	692120024	HPXBEQPXPVDSJO-UHFFFAOYSA-N	214.265	-0.044	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@@H](N)C2)CC1	692124688	OSSRFDFMKJYLLJ-NXEZZACHSA-N	237.303	-0.009	50	10	BBGE	
N#CC1(O)CCN(c2cncc3nnnn23)CC1	692156730	MLHYZXLXRKSEEN-UHFFFAOYSA-N	245.246	-0.626	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2CC[C@H](C1)C2	697681078	CYLQUEJZCCICFK-BQBZGAKWSA-N	211.265	-0.329	50	10	BBGE	
COCC(COC)N1[C@H]2CC[C@H]1C(=O)OC2=O	703426430	VYHAPZPGFDHXFV-IUCAKERBSA-N	243.259	-0.436	50	10	BBGE	
CC(C)(CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703475960	CTTIXRRFYXXVIC-YUMQZZPRSA-N	227.260	-0.079	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@H]1CO	703792694	HBJWPCXZSDALBW-FXQIFTODSA-N	204.657	-0.455	50	10	BBGE	
Cc1nn(CC(C)(F)F)c(C)c1B(O)O	704725994	KLQUIHGRARCGEM-UHFFFAOYSA-N	218.012	-0.165	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](CO)[C@@H](CO)C1	705329283	KKMTYOFYTPCBLM-BIIVOSGPSA-N	221.684	-0.327	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CCOC[C@H]1O	706727196	LWNBKCAJXPUWQH-NTSWFWBYSA-N	229.685	-0.748	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)CCS1(=O)=O	707158927	FECWKOMJOYISDT-HTQZYQBOSA-N	241.740	-0.295	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCn1cnnc1	707425057	HRRXENCKGRXLDP-BDAKNGLRSA-N	240.311	-0.776	50	10	BBGE	
CCOC[C@H]1CCN([C@@H](COC)C(=O)NN)C1	708275399	ZLNAIJQDPSKTGI-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715401237	HYRKCONFKKCXGA-PBXRRBTRSA-N	205.208	-0.438	50	10	BBGE	
Cc1conc1C(=O)Nc1ccccc1B(O)O	720526220	RSACRGCCFADWBF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)C(=O)N1CCCC1	755890216	QVDZDANVJROJNP-VIFPVBQESA-N	241.291	-0.007	50	10	BBGE	
CC(=NNC(=O)CN(C)C)c1cn[nH]c1	794857772	WFZXHRYZTDGZMY-UHFFFAOYSA-N	209.253	-0.189	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](OC)C1CCC1	823425399	SGCWZMKWIGMRIW-ZETCQYMHSA-N	215.253	-0.238	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	823804424	PABFAKOKRFYAHI-BRPSZJMVSA-N	239.275	-0.381	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)NNc1nnc(C)n1C	856050430	PDKYQQWGUXUUQH-HTQZYQBOSA-N	239.279	-0.008	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)[C@@H]1CCCO1	906396145	YPCCTVWSZLAIJO-RQJHMYQMSA-N	215.253	-0.238	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H](CO)C(=O)OC	1136109915	QKRWFFSOZOWLJC-NFXKFNAJSA-N	242.231	-0.920	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)CC#N)n[nH]1	1143273279	UCHXKIBYDNODDL-ZETCQYMHSA-N	249.274	-0.042	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)C2CC2)C1	1463576340	VPUFSVYSONUFDZ-SFYZADRCSA-N	239.275	-0.555	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC(=O)NOC	1558637062	JBYRWXRLRYJRGH-SREVYHEPSA-N	227.220	-0.776	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1cccnn1	1566757451	TUSACPJTNNUSBR-NUOXCJHRSA-N	208.221	-0.143	50	10	BBGE	
O=C(NNC(=O)c1cnc[nH]1)c1cnsn1	1651628474	NHYYNKWHNCOIFF-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
CN=C(NN)NC[C@@H]1C[C@@H]1Br	1877373045	WVPBHFJONOUBGT-WHFBIAKZSA-N	221.102	-0.192	50	10	BBGE	
C[C@H](Br)C(=O)NOCCO	1880074329	ZSJATSXMHRKLPZ-BYPYZUCNSA-N	212.043	-0.190	50	10	BBGE	
OB(O)c1cc(Cl)cnc1OCCF	1886034111	VRHHKOBKLCQORJ-UHFFFAOYSA-N	219.408	-0.237	50	10	BBGE	
C[C@H](CCl)C(=O)NN(C)S(C)(=O)=O	1888561618	GQWCICVFHHTTBQ-RXMQYKEDSA-N	228.701	-0.216	50	10	BBGE	
C[C@H](CCCC(=O)NN)SCC(N)=O	1889185857	SZXPSEWMGITMNQ-ZCFIWIBFSA-N	219.310	-0.246	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1895663410	QMHWXHLRQKFCHI-QCLAVDOMSA-N	227.308	-0.400	50	10	BBGE	
CN(CCOC(F)F)CCC(=O)NN	1902282002	KDHULUHCIWRPRF-UHFFFAOYSA-N	211.212	-0.463	50	10	BBGE	
CC[C@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	1902516034	PEBFOFFGNASAKS-IUCAKERBSA-N	228.101	-0.550	50	10	BBGE	
CCN1CCCN([C@@H](C)CC(=O)NN)C1=O	1905340495	STEGWKOCCVDIRG-QMMMGPOBSA-N	228.296	-0.098	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1ccncc1B(O)O	1907076181	BWUZPRSKCQLBON-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1[C@@H]2CCO[C@@H]21	1907574074	FBVFKGZKPOYWHA-CHHOWFRJSA-N	237.255	-0.062	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)NCC#CB(O)O	1910313182	TZPOMEDLIUPISB-SVRRBLITSA-N	248.997	-0.294	50	10	BBGE	
C[C@H](Cn1c(=O)oc2cccnc21)C(=O)NN	1912214036	CVRCFMIUDULBHX-ZCFIWIBFSA-N	236.231	-0.385	50	10	BBGE	
C[C@H](CN1C(=O)C[C@@H](C)C1=O)C(=O)NN	1912214925	AKSSCRNSLHHIKR-PHDIDXHHSA-N	213.237	-0.993	50	10	BBGE	
C[C@H](CCO)N(C)CCCCC(=O)NN	1916511809	XPLUQPLCVJGVCE-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CC(C)(CN(CCCO)CCCO)C(=O)NN	1922171234	JFSLQFFOFIIFHM-UHFFFAOYSA-N	247.339	-0.931	50	10	BBGE	
O=C(CC[C@H]1CCCCO1)NNCCO	1929838824	TZDIQZTVKJVLEK-SECBINFHSA-N	216.281	-0.051	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929912799	LFWYTOHBYJNQBY-PRJMDXOYSA-N	219.260	-0.985	50	10	BBGE	
NNC(=O)C(=O)NC1CCC(F)CC1	1930097958	VQENXYQTBMQKRB-UHFFFAOYSA-N	203.217	-0.627	50	10	BBGE	
CC[C@@H]1COCCN(CCC(=O)NN)C1	1933534289	XFGMPIRVUIVTGN-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
N#CCCN(C[C@H]1C[C@H]1C(=O)NN)C1CC1	1936083610	JGFFKPSCVVCBFZ-PSASIEDQSA-N	222.292	-0.010	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936093708	GWGBKBMIKGSTLG-JGVFFNPUSA-N	226.280	-0.630	50	10	BBGE	
C[C@H](CN1CCOC[C@@H]1C1CC1)C(=O)NN	1936109755	BNQHATHOTPEYIZ-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2OCC[C@@H]2C1	1937815985	IXDSRRBFWWWMHF-PRJMDXOYSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnnn1C	1939602333	UYDLVTHWGMUWRG-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
NNC(=O)c1cncc(CN2CCCC2=O)c1	1940565550	PFGCHMNBQOQQJB-UHFFFAOYSA-N	234.259	-0.193	50	10	BBGE	
O[C@H]1C[C@@H](O)CN(C[C@@H](O)CCl)C1	1954558261	SAXOPRGDTSESQO-RNJXMRFFSA-N	209.673	-0.986	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C[C@H](O)CCl)C1	1956439979	KZWHDLSLZYTBBK-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1957069607	KVEBFNQWUAURIZ-PULFBKJNSA-N	219.668	-0.432	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1958805139	PYGVIVQWLFTYCN-QKAWAISNSA-N	233.695	-0.044	50	10	BBGE	
CN(C)C[C@H]1CN(C[C@H](O)CCl)CCO1	1961283274	NZIRCSGSQASFLL-ZJUUUORDSA-N	236.743	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@@](=O)[C@@H](C)C1	1961555080	ZCMJEXUICZFFSJ-HQMDJKHHSA-N	233.337	-0.792	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([S@@](C)=O)C1	1961563748	LJCKFUKJPYYKHF-ANRSDYALSA-N	233.337	-0.936	50	10	BBGE	
COC[C@@]1(C)CCN1CCCC(=O)NN	1974733974	LZVXJHWGTQRBKW-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
NC(=O)C1(CN=c2[nH]nc(CCl)o2)CC1	1974872077	UFRKTHNUHHNACO-UHFFFAOYSA-N	230.655	-0.092	50	10	BBGE	
CCC(CC)C(=O)N=c1nc(B(O)O)[nH]s1	1979354213	RFYITHONKYRVNJ-UHFFFAOYSA-N	243.097	-0.986	50	10	BBGE	
CCCCOc1ncc(B(O)O)c(OC)n1	1981421059	UNJSKZOLKHDXJF-UHFFFAOYSA-N	226.041	-0.656	50	10	BBGE	
CN(C)CCOCc1nc(C(=O)NN)cs1	1982818003	CLOFSGVJZCXTPA-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC=C[C@@H]1CO	1983182516	YTVIGYSQHLFGTR-NXEZZACHSA-N	227.308	-0.376	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@H](C(=O)NN)C(C)(C)C	1985570885	DHPWFENOMJKHKR-XHNCKOQMSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H]2CF)O1	1986086774	LYNXQZNZQITBBB-VGMNWLOBSA-N	231.271	-0.432	50	10	BBGE	
O=C(NNCCO)c1cc(O)c(O)c(O)c1	1988129839	DAQDGEKYNRIPFJ-UHFFFAOYSA-N	228.204	-0.970	50	10	BBGE	
C=CC1(O)CCN([C@@H](CC)C(=O)NN)CC1	1990544430	ATVBMZYGVGHDDO-VIFPVBQESA-N	227.308	-0.232	50	10	BBGE	
COc1nc(=NC[C@@H]2C[C@@H]2Cl)nc(NN)[nH]1	1991438278	LEXMTVYQXFMDGD-WHFBIAKZSA-N	244.686	-0.373	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=NC[C@H]2C[C@@H]2Cl)[nH]1	1991448031	DPSNMSGWXRPASF-RITPCOANSA-N	242.714	-0.189	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@]2(CO)C[C@]2(CO)C1	1991685989	NYIYVFHSTQWBMW-GISOBZBCSA-N	245.706	-0.183	50	10	BBGE	
C=C(CN1CCN(CC2CC2)CC1)B(O)O	1992152997	KGCFBARVSPYBIC-UHFFFAOYSA-N	224.113	-0.418	50	10	BBGE	
CN(CCF)C(=O)c1cccc(B(O)O)c1	1992836968	SZIVOOSNUQICCQ-UHFFFAOYSA-N	225.028	-0.592	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCc2nccn2C1	1997477882	AIIUAACTCMLBCZ-SECBINFHSA-N	237.307	-0.633	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H](C)C1	2000984838	SQQZCWXBEIFZEY-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
CC[C@@]1(CO)COCCN1[C@@H](C)CC(=O)NN	2003264334	JJYHHDVRFXBNQC-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@H]3C[C@@H]32)c1	2004486379	KQKJSZYTVVFFEN-UWVGGRQHSA-N	237.259	-0.144	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnn(CC)n1	2004804037	HUYRLJPJGZCEEX-SECBINFHSA-N	240.311	-0.502	50	10	BBGE	
CCC1(CC)CN(c2ncncc2B(O)O)C1	2004921529	XCPHHJQSRAHTMY-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1cc(O[C@H]2COC[C@@H]2C)ncc1B(O)O	2004935244	MCUMIVFQYILRES-WPRPVWTQSA-N	237.064	-0.516	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@]3(C)C2)c1B(O)O	2004976936	ULDRCJNFHOCNDG-KWQFWETISA-N	233.080	-0.689	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CC2)C[C@H]1CO	2005388786	NKQVLCWOIBFGNM-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(OCCCN(C)C)c(B(O)O)c1	2007027151	XYTNZQUABFQJKY-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
Cc1ccc(NC(=O)C2COC2)cc1B(O)O	2007616645	VGTDGSRBZZKERE-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ncccc1B(O)O	2009677864	XWORTMPUGDVZIN-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)cc1	2011371344	BHFHBPFHARLOEM-KCJUWKMLSA-N	235.287	-0.145	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCC(=O)N(C)C	2014825719	SEDMTHVQBDTZCU-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@]12CCCOC2	2021122807	PHYSZEFVFDGCJA-GXSJLCMTSA-N	239.080	-0.513	50	10	BBGE	
COC[C@H](OC[C@@H]1C[C@@]12CCOC2)C(=O)NN	2021278251	YIMCFOCSKQUZQN-ATZCPNFKSA-N	244.291	-0.566	50	10	BBGE	
O=C(NNCCO)c1c[nH]c2ccccc2c1=O	2031839279	JXQCNDBEINRHSK-UHFFFAOYSA-N	247.254	-0.245	50	10	BBGE	
COC1(C(=O)NCc2ccccc2B(O)O)CC1	2047746755	UXYHASZNMJPDSM-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
Cc1ccc(=O)n(Cc2nc(C(=O)NN)co2)c1	2051646549	MQFRNEWGICCSGO-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
Cc1ccc(CN2CCC23COC3)cc1B(O)O	2051857092	VFZJLECUVARPCW-UHFFFAOYSA-N	247.103	-0.350	50	10	BBGE	
CN(C)C[C@@H]1CCCN1c1ccncc1B(O)O	2052499309	QXUQVNQDTMDDCF-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)c(C=O)c1	2060185083	HYWUSKYCYLKJCC-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
O=Cc1cc(B(O)O)c(F)cc1OC(F)F	2060261834	CDTINAGIJFCMHG-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
N#Cc1c(B(O)O)ccc(C=O)c1OC(F)F	2060279699	ZQMZXBGYWDFRFZ-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
Cn1cc(COCc2cccc(B(O)O)c2)cn1	2080319495	SBZYKBHZIBQWCK-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210699413	IOWWGWZWCHKHIL-YIZRAAEISA-N	233.287	-0.594	50	10	BBGE	
CC1CN(CC2(C(=O)NN)CCOCC2)C1	2212444273	GKTJTQJLYVHTDK-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C#CC(C)(C)COc1ncccc1B(O)O	2212599746	NBZVLUMMGJQKBP-UHFFFAOYSA-N	219.049	-0.200	50	10	BBGE	
CC[C@@H](CNc1ncccc1B(O)O)OC	2212605569	HEOBYAMDXIQBCS-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCOC2)c1	2212609664	VHLOWTIBIWRFNA-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
OB(O)c1cnc(=NCCCC(F)F)[nH]c1	2212615231	LXVYLKXYHMUJOE-UHFFFAOYSA-N	231.011	-0.965	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215777507	SXPSNITVWAARIG-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CC1(C(=O)NN)CCC1	2216531784	GMUOPNZTIHVXAL-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CO)CC1CN(CC2(C(=O)NN)CC2)C1	2216706707	ZZVNUBYWXPZLFV-SECBINFHSA-N	241.335	-0.293	50	10	BBGE	
C[C@]1(Nc2nccc(B(O)O)c2F)CCOC1	2217180636	VKNQKOQCFHXYCA-JTQLQIEISA-N	240.043	-0.509	50	10	BBGE	
OB(O)c1ccc(N[C@H]2COCC2(F)F)nc1	2217185096	UAVKTAHANIODGR-ZETCQYMHSA-N	244.006	-0.793	50	10	BBGE	
NCC1(CCNc2ncccc2B(O)O)CC1	2217198453	BHZRWDHKJSNYMA-UHFFFAOYSA-N	235.096	-0.698	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1C[C@@H](O)C1	2217198962	IQXBDUHUBJMLCN-DTORHVGOSA-N	236.080	-0.666	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCCN1	2217201251	XIYYISISRKHSJB-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
C[C@]1(C2CC2)CCCN1c1ncc(B(O)O)cn1	2222773831	LDMASONFLIRJRV-GFCCVEGCSA-N	247.107	-0.075	50	10	BBGE	
Nc1ccccc1COc1cc(B(O)O)ccn1	2223660815	HFQWRFFNJZQLOX-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
O=S(=O)(NCC1COC1)N1CC(Cl)C1	2241330552	BUQXWBLQZCCONQ-UHFFFAOYSA-N	240.712	-0.610	50	10	BBGE	
O=S(=O)(N[C@@H]1CCOC1)N1CC(Cl)C1	2241337979	DRQOMBOOABMZDS-SSDOTTSWSA-N	240.712	-0.467	50	10	BBGE	
OC[C@H](O)[C@H]1CCN1CCOCCCl	2241811094	LQVNDNDUJQHRFI-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
COCCS(=O)(=O)NC[C@H](CCl)OC	2242440732	SMVCHSRUIYWELM-ZETCQYMHSA-N	245.728	-0.194	50	10	BBGE	
CO[C@@H](CO)CNC(=O)CBr	2242444652	GJJQRKLFKGCMKV-RXMQYKEDSA-N	226.070	-0.495	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC=C[C@]1(C)CO	2242609484	UPQWCBNJGGPITD-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
O=C(NCCC1CC1)c1occc1B(O)O	2243359633	VLOLYEOJGVNQAS-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccoc1B(O)O	2243362104	MDONVJLGOCTHEO-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)o1	2243362352	PSMCUPYVCOYUAK-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
C[C@@H]1C(NC(=O)c2occc2B(O)O)[C@H]1C	2243363756	LPLRRQFOESJYQJ-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)C[C@H]1O	2243364491	XXUWXUOQUIWPLQ-NKWVEPMBSA-N	227.069	-0.731	50	10	BBGE	
O=C(N1CCOC2(CC2)C1)C1(B(O)O)CC1	2243368293	GCRQEVAESVZPDR-UHFFFAOYSA-N	225.053	-0.615	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1csnc1B(O)O	2243378204	OQGAZWUJUGIWPO-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
CCN(CCOC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381687	IJWGITDNJBRPOP-DTORHVGOSA-N	229.085	-0.266	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)sc1C	2243385896	QLSJNVVSSBKMAB-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
O=C(NC[C@@H]1CCC=CO1)[C@@H]1C[C@@H]1B(O)O	2243390970	DVLHQZGEKTZAQF-YIZRAAEISA-N	225.053	-0.342	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2243392041	QOUTXRWWJNQPDW-BBBLOLIVSA-N	221.065	-0.279	50	10	BBGE	
CCC(CC)NC(=O)c1sncc1B(O)O	2243398970	WADGMZJCJYKREP-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
CCC(C)(C)NC(=O)c1ccc(B(O)O)o1	2243401698	VUEUNIQGWUWZKU-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
C#CCCN(C)C(=O)c1ccsc1B(O)O	2243410221	XIYHQHHSTKDEQY-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
CCN(CC(=O)OC)C(=O)C1(B(O)O)CC1	2243410425	BJOYPWIRXACQAT-UHFFFAOYSA-N	229.041	-0.985	50	10	BBGE	
N#C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243415161	PJQUPUKBOBLOFT-IWSPIJDZSA-N	222.053	-0.389	50	10	BBGE	
CCN(CCOC)C(=O)[C@H]1C[C@H](B(O)O)C1	2243419884	IJWGITDNJBRPOP-KYZUINATSA-N	229.085	-0.266	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1csnc1B(O)O	2244144225	PPXHVGAEJSKSIJ-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
C[C@@]1(NC(=O)NC(=O)CCCl)CCNC1=O	2245142385	TWBAYQPDUDDOJT-SECBINFHSA-N	247.682	-0.280	50	10	BBGE	
OB(O)c1cc(N2CCCCN2)ncc1Cl	2245913452	RJRASISNRWPJHQ-UHFFFAOYSA-N	241.487	-0.480	50	10	BBGE	
O=C(NCCCC(F)F)c1coc(B(O)O)c1	2247732157	CNPAMXDCTHPUQS-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2cncn2c1	2247737086	CIOHUPZLRWTPCI-UHFFFAOYSA-N	229.004	-0.712	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2247742912	VYNQCYBTPJRDST-MRVPVSSYSA-N	249.100	-0.431	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247746538	AIZHLFNWSKSWIM-VXNVDRBHSA-N	236.080	-0.387	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](NC(=O)C1(B(O)O)CC1)C2	2247755872	LGOJAOROKNYJHN-QXFUBDJGSA-N	239.080	-0.323	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2247771420	LXFWKHJBDGKVHO-QMMMGPOBSA-N	232.048	-0.933	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](O)C[C@H](F)C1	2247785673	OUUMUOXESFRWCB-KZVJFYERSA-N	245.059	-0.829	50	10	BBGE	
CC[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)O1	2247796727	CCOXAUSHGNCLIH-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1CN	2247798954	YOAAANHXWDGJIZ-RJQCTPFPSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247804331	GJJBVGJBNMASCX-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
NC[C@]1(F)C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247804962	IZOLPNHHNNQCHC-NOQYVYMASA-N	244.075	-0.815	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(CCO)CC1	2247808230	UAXUUMCGHLSHKX-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
COC1(OC)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247810679	ZIRBCHDMKAVKOS-ZKCHVHJHSA-N	243.068	-0.929	50	10	BBGE	
CCO[C@@H]1CC[C@H](CNC(=O)C#CB(O)O)C1	2247848245	JACOCDVGVMIYLA-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)C2(B(O)O)CC2)CCN1	2247855675	WJQOKWFDKWWZGH-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247858815	HXNDMJKWUXCOCN-XHNCKOQMSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1C1CC1)C1(B(O)O)CC1	2247878323	NOSHKKAJIRDYFE-DTWKUNHWSA-N	239.080	-0.465	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2247878378	JLAURYRJKFJCAU-RKDXNWHRSA-N	241.096	-0.219	50	10	BBGE	
C#CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247886525	CINFNHBNXOSJHH-KXUCPTDWSA-N	237.064	-0.900	50	10	BBGE	
O=C(NCC[C@@H]1CCCOC1)[C@H]1C[C@@H]1B(O)O	2247886534	CKJUZDKDZDSWPW-GUBZILKMSA-N	241.096	-0.218	50	10	BBGE	
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247897428	SFSCQFUNZBJMDV-NXEZZACHSA-N	234.064	-0.097	50	10	BBGE	
COC1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247899021	JROABVMKYAJOMB-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247899271	LYWAQHCJOLWDLW-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)C1CC(B(O)O)C1	2247908959	CIKYGOZKXCVQJU-JNORSNDXSA-N	238.096	-0.955	50	10	BBGE	
C[C@H](F)CNC(=O)Nc1ccccc1B(O)O	2247970506	JSOMSWJFFFPOBK-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
CCN(C)C(=O)Nc1ncc(B(O)O)cc1F	2248218027	KXDMCLALFWYMKJ-UHFFFAOYSA-N	241.031	-0.616	50	10	BBGE	
CC(C)C[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248575440	GFMYMTIANYPBGN-MRVPVSSYSA-N	241.052	-0.993	50	10	BBGE	
O=C(CN1CCC(B(O)O)CC1)NCC1CC1	2249354855	IINQTUBCDIBTAU-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1cocc1B(O)O	2249408793	HRNBZOVHMMTCGE-MUWHJKNJSA-N	241.027	-0.611	50	10	BBGE	
CCCC1CN(C(=O)c2cc(B(O)O)co2)C1	2249431150	SGMQUBXZQGFJMJ-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](O)CN(C[C@H]1C[C@@H]1C(=O)NN)C1CCC1	2250545976	PABHKTCRNMNEQG-NGZCFLSTSA-N	241.335	-0.152	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)o2)CCC1	2250673938	HTGUNMDXHBLBHR-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)C1CC(B(O)O)C1	2250900655	YKQSJUXPPVBNHC-QYIXMMIJSA-N	239.080	-0.465	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2253336429	YNWIZQPLFLXNJB-XVMARJQXSA-N	248.038	-0.956	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ncc(B(O)O)cn2)C1	2255470615	HHJNKEHSNDITSP-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1ccc(B(O)O)o1	2255475900	DFVYGGWTKSXSOD-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)c(C)c1	2255736821	UKDFRHXSEJJIJS-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1occc1B(O)O	2255739501	LLFNLMXVYQXXCO-KTOWXAHTSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)CC2(CC2)C1	2298377549	VMLLHMBETSBSJL-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3C[C@@H]3C2)cc1B(O)O	2301450333	CZSWOVSMOOICII-NXEZZACHSA-N	231.060	-0.365	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2312848152	PMUJZAJVFXNWBO-KZVJFYERSA-N	247.059	-0.560	50	10	BBGE	
O=Cc1ccc(NCc2cnc[nH]2)cc1B(O)O	2317307533	BTQHYJVQCCOGOA-UHFFFAOYSA-N	245.047	-0.486	50	10	BBGE	
CCC#CC(=O)Nc1ccc(OC)c(B(O)O)c1	2319240564	NLZXIMCDGLWWJI-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
NC(=O)N1CCN(C(=O)CCl)CC1	2528815	PCEPOVFJGHZGSL-UHFFFAOYSA-N	205.645	-0.552	50	10	BBGE	
NC(=O)N/N=C/c1cccc(C(N)=S)n1	6512903	CIOXWXZUVMTNRB-NYYWCZLTSA-N	223.261	-0.282	50	10	BBGE	
NNC(=O)Nc1ccc(S(=O)(=O)O)cc1	34434607	ZTIJKJDIAHHSRR-UHFFFAOYSA-N	231.233	-0.072	50	10	BBGE	
O=C(CCl)NC(=O)NCCn1cccn1	42543236	MBNAAKWJLKZJQT-UHFFFAOYSA-N	230.655	-0.052	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)CC1	58847740	ICECDRHTJHTAOG-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CNC(=O)NNC(=O)C[C@H](O)C(F)(F)F	69592816	HJWMEWYRHBJCBN-VKHMYHEASA-N	229.158	-0.740	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](N)C1	82470175	QTVOFWCKOBVMFU-YUMQZZPRSA-N	200.286	-0.822	50	10	BBGE	
CC(C)(CN1C(=O)CCC1=O)C(=O)NN	86598111	MYJIJQNQURCTJL-UHFFFAOYSA-N	213.237	-0.849	50	10	BBGE	
CC(C)(Cn1cnc([N+](=O)[O-])c1)C(=O)NN	86598125	NFRAZWMSPTXFLO-UHFFFAOYSA-N	227.224	-0.193	50	10	BBGE	
O=C(CCC1CC1)NNC(=O)c1c[nH]nn1	115371849	WYALVEJFFCQNCS-UHFFFAOYSA-N	223.236	-0.244	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1ccc(C#N)nc1	115712076	JPTLDIOOGVHOPJ-UHFFFAOYSA-N	247.258	-0.724	50	10	BBGE	
C[C@H](CO)CNS(=O)(=O)CBr	126721546	FDXJUZDKSVGHBY-YFKPBYRVSA-N	246.126	-0.113	50	10	BBGE	
O=C([C@@H]1CCCN1)[C@H]1CCC[C@H]1B(O)O	170003430	LCVPMHZPTXHLEJ-YIZRAAEISA-N	211.070	-0.049	50	10	BBGE	
COC[C@H](C)NCc1ccc(B(O)O)s1	203614491	NPFSZKAOIJIAIO-ZETCQYMHSA-N	229.110	-0.448	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC(C)(C)C(N)=O	230407342	PTCRIZDTVGYZPT-YFKPBYRVSA-N	249.698	-0.049	50	10	BBGE	
COCCN(C(C)C)[C@@H](COC)C(=O)NN	232420642	LGSRLWDECUIHNZ-VIFPVBQESA-N	233.312	-0.652	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1ccnc1	238454456	GXTJDHOEQLBIEI-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C(NCCCl)N[C@@H]1CCCNC1=O	238565962	QFHSKSYERHONFB-ZCFIWIBFSA-N	219.672	-0.197	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2c(c1)CCC(=O)N2	258950507	FADLPMIKXYVUNB-SECBINFHSA-N	248.286	-0.049	50	10	BBGE	
CNNC(=O)[C@H](N)C[C@@H]1CCCN(C)C1	258972945	DFPSZLUDYUAHMP-DTWKUNHWSA-N	214.313	-0.704	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@](C)(O)C1	300027351	CBCNRHIRJQHAMC-WPRPVWTQSA-N	215.297	-0.542	50	10	BBGE	
Cc1cc(C(=O)NN(C)C)nc(NN)n1	300760821	MIHDXJGQMYAUHE-UHFFFAOYSA-N	210.241	-0.723	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc([N+](=O)[O-])cc1C	302299526	LZIDTTDOKHVRBJ-LURJTMIESA-N	243.223	-0.723	50	10	BBGE	
C[C@H](CN)CC(=O)NNc1ncccn1	381224765	JMHQCEVYYDJSPY-ZETCQYMHSA-N	209.253	-0.095	50	10	BBGE	
NC(=O)c1cccc2sc(B(O)O)cc12	382742635	GJFMIGKVPYGPHH-UHFFFAOYSA-N	221.046	-0.320	50	10	BBGE	
CO[C@@H](C)CN(C)C[C@@H](C)C(=O)NN	389295182	FUXYUIPCCMAJMJ-SFYZADRCSA-N	203.286	-0.421	50	10	BBGE	
O=C(O)c1csc2cc(B(O)O)cc(O)c12	396383936	OPIRQKXPTXCZHF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
NNC(=O)CN1C[C@H]2C[C@H](O)CC[C@H]2C1	398737574	FCQNSEUGFKITPF-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)CCCN1CCN(CCCF)CC1	402802697	XUFAMXVTDZPKAA-UHFFFAOYSA-N	246.330	-0.266	50	10	BBGE	
CN(CC(=O)NN)Cc1ccns1	404460542	KCIKWBUZEUXJDT-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
CC1(C(=O)NCc2ccccc2B(O)O)CC1	404998864	IPNVDEAVDNOUHE-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
CCN(CC)Cc1c(C(=O)NN)cnn1C	408716150	JMBPJHQAHXUTJG-UHFFFAOYSA-N	225.296	-0.135	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	690067998	UAZMGNLPTIXJPK-ZJUUUORDSA-N	235.048	-0.660	50	10	BBGE	
N#C[C@@H]1CCN(Cc2cc(C(=O)NN)no2)C1	693992651	RMKMOTFPPFKILY-ZETCQYMHSA-N	235.247	-0.376	50	10	BBGE	
CCO[C@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	702050414	NTNCLEBPFPVRGA-SFYZADRCSA-N	245.279	-0.406	50	10	BBGE	
COc1cccc(Cn2cc(B(O)O)cn2)c1	703669570	CUFGOCSXWUOYCK-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CCC[C@@H]1CN(C(=O)C(=O)NN)CCO1	708942905	DHRFWNRPSNENLA-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CC(C)CC(=O)NCc1cnc(B(O)O)s1	718865696	KODJWDLTSJIXSW-UHFFFAOYSA-N	242.109	-0.515	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CCNC[C@H]32)CC1	721051380	VSTVSQQRWJUGPF-GMTAPVOTSA-N	249.314	-0.281	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721714949	IECMXQMHMALXAG-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
O=C1N=CC(CNS(=O)(=O)CCl)=N1	725595450	NXPQLOXURUTLTR-UHFFFAOYSA-N	223.641	-0.253	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CSC(=O)N1	910171037	QOUJFQNFNJQRPG-RITPCOANSA-N	233.293	-0.845	50	10	BBGE	
CCC(=O)OCc1cccc(B(O)O)c1F	1088236660	IHRVAIWVEKQGSI-UHFFFAOYSA-N	226.012	-0.041	50	10	BBGE	
NC(=O)C(=O)NN=Cc1ccc(-c2cc[nH]n2)o1	1321116043	OAJLZDLXPYBTHZ-UHFFFAOYSA-N	247.214	-0.395	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ccncn2)CO1	1569313655	GIJKNIKDWXQXED-RXMQYKEDSA-N	223.192	-0.972	50	10	BBGE	
CCO/C=C/C(=O)NN(C)C[C@@H](C)O	1642192816	NGSXGZMVZGLONX-HQZHTGGTSA-N	202.254	-0.120	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)c1ncc[nH]1	1644282264	ZFEYTLHVLPGXGS-UHFFFAOYSA-N	249.317	-0.168	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cccc(B(O)O)c1	1648861173	PNHBVUNGISMUDD-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880030890	PVHBNCIGHOKNPL-BQBZGAKWSA-N	247.295	-0.096	50	10	BBGE	
O=S(=O)(NCC=CCCl)c1nc[nH]n1	1885228961	VWBNEVOICRASJD-UHFFFAOYSA-N	236.684	-0.122	50	10	BBGE	
O=C(CCCl)N1CCC[C@@H]1[C@H](O)CO	1885363498	GMTKCKNCVCIAHS-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)C[C@]12CCOC2	1894245760	WPYWHUKHMPGERV-XVKPBYJWSA-N	227.264	-0.854	50	10	BBGE	
CSC[C@@H](C)C(=O)NCC#CB(O)O	1895239733	QTGNGQWRVSHAJC-SSDOTTSWSA-N	215.083	-0.883	50	10	BBGE	
O=C(Cl)C=CC(=O)Nc1nc(O)n[nH]1	1897111082	FRMOBKLXIZBDMY-UHFFFAOYSA-N	216.584	-0.230	50	10	BBGE	
CN1CCC[C@@H]2CCN(CC(=O)NN)C[C@H]21	1899573620	GGWLBNYBDZSGOT-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
CC1(C)COC[C@H]1Cn1cc(B(O)O)cn1	1901108810	WGROQIXWGJRJCD-MRVPVSSYSA-N	224.069	-0.765	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1Nc1ncc(B(O)O)cn1	1901155526	BUEPANWUXBCLTI-RNFRBKRXSA-N	221.069	-0.387	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1CCNC1	1901376622	CZTFZAXRLVQLKJ-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)C1CC(B(O)O)C1	1902005393	GZWHYYNESARVHU-HACHORDNSA-N	227.069	-0.513	50	10	BBGE	
COc1ncc(COCC(=O)NN)cc1F	1904371626	KXBYTGMWAJYJRX-UHFFFAOYSA-N	229.211	-0.264	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H](C)CN(C)C	1904707749	MMMDAVRAVFUUJE-LPEHRKFASA-N	230.356	-0.117	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1905583299	HXXQCRSRSMEARE-KXUCPTDWSA-N	241.096	-0.266	50	10	BBGE	
CN(C)C[C@@H]1COC[C@@H]1NC(=O)CCl	1906111824	YADDPBXDRSMZMF-SFYZADRCSA-N	220.700	-0.082	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	1907892529	BKKWCSSSCTXXIA-FBDQPXRJSA-N	239.319	-0.278	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1occc1C(=O)NN	1914263134	VOEALTKXSRVPRN-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
O=C(CCO)NNC(=O)NCc1ccccc1	1923198858	JEVJVPXJKIWQHV-UHFFFAOYSA-N	237.259	-0.101	50	10	BBGE	
CCN1CC[C@H](NNC(=O)C(F)(F)F)C1=O	1923412011	XLAAAYPOOVPMRJ-YFKPBYRVSA-N	239.197	-0.210	50	10	BBGE	
C[C@@H](C#N)CN(C)CC(F)(F)C(=O)NN	1927816624	PQJDATBZNYVSEE-LURJTMIESA-N	220.223	-0.297	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C2CC2)CC1	1927974166	KDVKFVVIFAZXIC-VIFPVBQESA-N	213.281	-0.523	50	10	BBGE	
OC[C@H](O)[C@H]1COCCN1CCCl	1928573464	JONUKDCOXXHDKD-SFYZADRCSA-N	209.673	-0.721	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCCO1	1928674792	DLSOIDLJJZCCDP-MRVPVSSYSA-N	217.269	-0.591	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H]2COC[C@@H]2Cl)n1	1939174019	WKFBDAIDTYRUEG-WDSKDSINSA-N	245.670	-0.806	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@@H]2C1=O	1940086229	BJBCFANZEVVYOA-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1CO	1941088062	OPWJREWDELHUHJ-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
Cc1cc(CN2CC[C@H]2CO)oc1C(=O)NN	1944080534	QLNPYEUSDXUXEE-QMMMGPOBSA-N	239.275	-0.242	50	10	BBGE	
C[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)CCCO1	1951321867	KJSJROMJENENRO-WPRPVWTQSA-N	227.069	-0.369	50	10	BBGE	
O[C@@H](CBr)Cn1cnnn1	1951708321	SHYZFZHXQJPHSW-BYPYZUCNSA-N	207.031	-0.571	50	10	BBGE	
CON1CC[C@@H](NS(=O)(=O)CCl)C1	1954100409	JZUZYKSVDKSQEW-ZCFIWIBFSA-N	228.701	-0.262	50	10	BBGE	
NNC(=O)C1(C(=O)O)CCSCC1	1954396807	QAPCCFGLKOZOND-UHFFFAOYSA-N	204.251	-0.426	50	10	BBGE	
CN(CCS(=O)(=O)C(C)(C)C)C(=O)NN	1961292409	BXKWGDKBMDKOSS-UHFFFAOYSA-N	237.325	-0.285	50	10	BBGE	
NNC(=O)N1CC[C@@H](N2CCOC2=O)C1	1961483913	YYFRTCIZJGDDEM-ZCFIWIBFSA-N	214.225	-0.904	50	10	BBGE	
C[C@@H](CN(C)C(=O)C(=O)NN)C(C)(F)F	1961537899	QMXUSMJLRLJFEE-YFKPBYRVSA-N	223.223	-0.274	50	10	BBGE	
C[C@@H]1C[C@@H](OCC(F)(F)C(=O)NN)CO1	1961629904	ULVJQVXYHVPJEW-PHDIDXHHSA-N	224.207	-0.194	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(B(O)O)cc1	1962943737	PZAHPTFBBLENED-SSDOTTSWSA-N	225.028	-0.546	50	10	BBGE	
O=c1c(B(O)O)cccn1CC=C(Cl)Cl	1975101915	YVPQQKDUQBIAJN-UHFFFAOYSA-N	247.874	-0.153	50	10	BBGE	
CC(C)COCCOc1nc(B(O)O)cs1	1981422003	IHUXCCGOXTWMTD-UHFFFAOYSA-N	245.109	-0.126	50	10	BBGE	
Cc1nc(N2CCSCC2)ccc1B(O)O	1981469017	LCVDBEIIFUZJIF-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cnsc1C(=O)NN	1981730959	YJZXATSFGVTROM-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
O=S(=O)(CCF)Nc1ccccc1B(O)O	1983750618	AWCCZKZAEUSZNY-UHFFFAOYSA-N	247.056	-0.922	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@H]1C[C@H](O)C1	1984461470	DXDVFHPUURKYQI-MGCOHNPYSA-N	229.324	-0.008	50	10	BBGE	
CN1CC[C@H]2[C@@H]1CCCN2CCC(=O)NN	1986246863	FMNSBCPUZCEUSM-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC([C@@H]2NC(=O)NC2=O)C1	1986670033	RYRZERVSCDSJCW-XINAWCOVSA-N	245.666	-0.720	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CN2C	1987530307	VPSDNARXMXUACG-JLIMGVALSA-N	226.324	-0.611	50	10	BBGE	
NC(=S)NNC(=O)c1cc(O)c(O)c(O)c1	1988129665	ADTCKEDIIKWXCA-UHFFFAOYSA-N	243.244	-0.719	50	10	BBGE	
COC1(CNC(=O)C(=O)NN)CCSCC1	1990327494	BYXHPQMWNRKSQC-UHFFFAOYSA-N	247.320	-0.995	50	10	BBGE	
CC(=O)N1CCN(C(=O)C=CC(=O)Cl)CC1	1991654796	OKQXWNWCZLAVKG-UHFFFAOYSA-N	244.678	-0.001	50	10	BBGE	
CO[C@H]1C[C@H](CN)N(C(=O)/C=C/C(=O)Cl)C1	1991712846	LRYBJOOYFCOLMR-TZIBCRCASA-N	246.694	-0.117	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CC[C@H]2C[C@H]21	1995197574	FEWQHCOFFMGHBX-QXFUBDJGSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996734735	SKOHYVHNYADLLJ-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CNC(=O)C1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	1997404359	QHUFCGBABAHFRZ-BQBZGAKWSA-N	238.243	-0.819	50	10	BBGE	
CCC[C@@H]1CCOCC[C@@H]1NC(=O)C(=O)NN	2001009608	VPQAZEYZSNKNPI-BDAKNGLRSA-N	243.307	-0.312	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C2CCC2)nc1	2004911093	CHYMPNBYDRARMX-SNVBAGLBSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(N2CC(CC(F)F)C2)nc1	2004913392	FBVFRVJQFQCTMG-UHFFFAOYSA-N	243.022	-0.752	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@]23CCOC3)nc1	2004916702	OSQZEZCQDMKCTP-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CCCOC1	2004929813	NXOKEYMLLSJPLR-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2CCCC2(C)C)ncc1B(O)O	2004974486	LBBGLFWDSFQKHS-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCN(C)C1	2019207571	BZTNRWGCZQRHTN-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)O[C@H](C)C1	2019211454	QDBKQSWIVZVXNZ-RKDXNWHRSA-N	243.307	-0.347	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccncc1	2020069094	XSYLYTOWXCBCGV-SNVBAGLBSA-N	232.048	-0.088	50	10	BBGE	
CC1(C)C[C@H](CC(=O)NCC#CB(O)O)CO1	2021106656	IMWJBIAJGVWDLA-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
Cc1ccn(CCC(=O)NN)c(=O)c1[N+](=O)[O-]	2024111009	GAXJJFKXTZEFCG-UHFFFAOYSA-N	240.219	-0.555	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C(=O)N1CCC1	2043145639	IZVGRMVPOQIMPJ-UHFFFAOYSA-N	248.091	-0.376	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(F)c1	2053734854	IDCVTKTZJXJMNO-WGNDUZGJSA-N	248.066	-0.255	50	10	BBGE	
C[C@]12C[C@](COc3cncc(B(O)O)c3)(CO1)C2	2082655137	GWXKLRBDEKDPTH-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@H]1C	2211385307	QXEGIWXROBIFCC-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212285823	MHRGVYDXEKEHHI-QMSLJYSESA-N	220.037	-0.666	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@H](C)N)cc1B(O)O	2212606228	QMUYGBVBESTWQM-YUMQZZPRSA-N	224.069	-0.816	50	10	BBGE	
Cc1cnc(N[C@H](C)CCO)cc1B(O)O	2212606689	YHWWNTOSXGPAHI-MRVPVSSYSA-N	224.069	-0.747	50	10	BBGE	
Cn1cc(Oc2cc(B(O)O)ccn2)cn1	2212607440	BAHDJGYXEDLTBJ-UHFFFAOYSA-N	219.009	-0.713	50	10	BBGE	
C[C@H](N)[C@@H](C)Oc1nccc(B(O)O)c1F	2212608549	UFCLYMJJCMTJBW-NTSWFWBYSA-N	228.032	-0.985	50	10	BBGE	
CCC=C1CN(c2cc(B(O)O)ccn2)C1	2212610539	KMEATBRXRGSRAE-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC(C)[C@@H](CN)Nc1cc(B(O)O)ccn1	2212610916	RCRJEVJFCBFUOW-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
C#CC[C@@H](C)CNc1cc(B(O)O)ccn1	2212611580	BNTILNALYNGLAQ-SECBINFHSA-N	218.065	-0.167	50	10	BBGE	
C[C@@H](CCCO)Nc1ccc(B(O)O)cn1	2212611736	CNHMYEKCDSOQTQ-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
CC(C)(Cn1cncc(F)c1=O)C(=O)NN	2212635973	FTLFUEWZHLMXED-UHFFFAOYSA-N	228.227	-0.602	50	10	BBGE	
CN(C)CCCN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215770837	DVLGVXYDARPILX-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(O)(C(F)F)C1	2215777571	TXVASDPXJPAQLB-NKWVEPMBSA-N	249.261	-0.686	50	10	BBGE	
CN[C@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2217165992	KGGBEPNKVOWLJR-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
COC[C@@H](Nc1ncccc1B(O)O)C(C)C	2217175099	DFTVVLYXCZXQAJ-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
CC1(C)C[C@H](N)[C@H]1Oc1cc(B(O)O)ccn1	2217186815	PJVSHCUDMJPUJT-WCBMZHEXSA-N	236.080	-0.734	50	10	BBGE	
C[C@H]1CCOC[C@H]1Oc1cc(B(O)O)ccn1	2217193189	LHSRDRGQFKEWPF-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
OB(O)c1ccnc(N2CC(C(F)(F)F)C2)c1	2217196485	GHBQWFJCDVTJTJ-UHFFFAOYSA-N	245.997	-0.240	50	10	BBGE	
C[C@H]1CNC[C@H](Nc2cc(B(O)O)ccn2)C1	2217199716	OPNFHAQHBKTHEH-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1ccnc(NC2CC3(COC3)C2)c1	2217201962	GWGHJHJNCHMOCU-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
CC1(C)CN[C@@H]1CNc1ccc(B(O)O)cn1	2217203163	QOGLUKQIGZKHNB-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
Cn1cc(N2[C@H]3CC[C@H]2C(=O)OC3=O)ccc1=O	2217981303	MNRPMVDXLHJQGK-IUCAKERBSA-N	248.238	-0.194	50	10	BBGE	
NCC[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223633783	BAWXOEILRRRJCB-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1cccnc1NCCc1cccnc1	2223665762	IHARFGXBKHPYCG-UHFFFAOYSA-N	243.075	-0.189	50	10	BBGE	
O=S(=O)(NCC=CCO)N1CC(Cl)C1	2241331512	LHTUFQVNOKYCDD-UHFFFAOYSA-N	240.712	-0.708	50	10	BBGE	
COC1(C(=O)NNC(N)=O)CC(C)C1	2241403979	SDAFOGIADRZLDO-UHFFFAOYSA-N	201.226	-0.499	50	10	BBGE	
O=C(CBr)N1CC[C@@H]1[C@@H](O)CO	2241810441	DBSQAJYVRCVUCX-RITPCOANSA-N	238.081	-0.665	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2nscc2B(O)O)C1	2243349473	MAMBQALIBSNSJO-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ncsc1B(O)O	2243358692	JJOADRSQVXRJLD-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)[C@H]3C[C@@H]3B(O)O)C[C@H]21	2243390949	DLIUDDCGIBKWAV-MAUMQABQSA-N	223.081	-0.036	50	10	BBGE	
CCCN(CCOC)C(=O)[C@H]1C[C@@H]1B(O)O	2243404318	MJLQJCQOLSWJIM-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@@H]1Cl	2243712034	CNHKAAIHCNHCSP-RQJHMYQMSA-N	240.455	-0.673	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244210817	GTBHLMSQFZWCII-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2244211960	KOKBYNBTYLESQY-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@]12CCC[C@H]1C2	2244548664	SJQMWROWNSSGTB-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]1c1ccccc1	2247741098	UQZYMDJISVTRMV-MNOVXSKESA-N	229.044	-0.326	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1C(F)(F)F	2247741725	DXYIGHLYBWTJJI-ZETCQYMHSA-N	248.997	-0.055	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@H]1NC(=O)C#CB(O)O	2247742576	QQJDUVHBOHMKHF-IVZWLZJFSA-N	239.080	-0.678	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)c[nH]1	2247744541	UQWYZXIMZNQGOB-SECBINFHSA-N	234.064	-0.774	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCCC(F)(F)[C@@H]21	2247744685	WQBDMGJURYELQC-CNUIFLNQSA-N	243.018	-0.448	50	10	BBGE	
CC1(C)[C@H](O)CC[C@H]1NC(=O)C1(B(O)O)CC1	2247754518	MKIXPEIWMKQNOB-HTQZYQBOSA-N	241.096	-0.341	50	10	BBGE	
O=C(N1CC[C@@]2(CCOC2)C1)C1(B(O)O)CC1	2247756453	NCVGZXHKUXKDHX-SNVBAGLBSA-N	239.080	-0.368	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@H]1CN	2247757865	XVPNDVAIAFSTRB-MRVPVSSYSA-N	240.112	-0.563	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCOC2)C1CC(B(O)O)C1	2247798129	QIOLVPACKNQTBX-CAUGXEKISA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCCO1	2247798708	WJGNVHAFEJHVRC-IDKOKCKLSA-N	241.096	-0.123	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247800455	PGVGAMGQXNAQLA-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247805769	CMGZEIGZONTBEO-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247806509	FOHCYPBMCFBXNO-BDAKNGLRSA-N	235.052	-0.702	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247810362	WUUMUDBZUHNSEA-AUXWQGHOSA-N	240.112	-0.694	50	10	BBGE	
Cc1noc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)n1	2247859206	KWNVOPJILLADSP-RNFRBKRXSA-N	239.040	-0.801	50	10	BBGE	
C=C[C@@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2247910482	PUVQDGSMWRUCEV-NWGYLPEXSA-N	239.080	-0.611	50	10	BBGE	
Cc1n[nH]cc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2248391847	ULDYHVZYMULPJR-DTWKUNHWSA-N	237.068	-0.461	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1C[C@@H]1C(=O)O	2248587652	SEUZZOBVIOSIOR-ACZMJKKPSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1C[C@@H]1C	2248968793	RZNNODFUKSHMIV-RCOVLWMOSA-N	234.064	-0.792	50	10	BBGE	
C[C@]1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CCNC1=O	2251051986	PPZCNRPBLOWYLH-HFJPGXAFSA-N	238.243	-0.819	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1ccc(B(O)O)o1	2255464274	UJNOJEGYWGBVQW-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1ccc(B(O)O)cn1	2255518662	NJADYCUZBOUEKL-QPUJVOFHSA-N	248.091	-0.463	50	10	BBGE	
C[C@@H](C#N)CNC(=O)Nc1cccc(B(O)O)c1	2255893749	URDKCEHKEMWMNV-QMMMGPOBSA-N	247.063	-0.352	50	10	BBGE	
C#C[C@H](C)CNC(=O)Nc1ccccc1B(O)O	2255910086	PCEQIHLLANLOHT-VIFPVBQESA-N	246.075	-0.243	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1cocc1B(O)O	2258128983	SIBMNKPMJWPBMA-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298369032	GLSJMQRVMAFHPA-HOTMZDKISA-N	239.080	-0.515	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC([C@H]2CC2(F)F)C1	2298369260	ORGTVUUCLZTFBE-XLPZGREQSA-N	245.034	-0.037	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@H]1C[C@H]1B(O)O	2298370220	RTVNCXGCNUMPGM-SWXZISNSSA-N	238.096	-0.909	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]2[C@@H]1CO	2298376888	VBJHVBNWDPIFAN-WVHJSVDISA-N	239.080	-0.921	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298463637	PTPGDCOOGPEVCC-RULNZFCNSA-N	241.052	-0.781	50	10	BBGE	
CC(C)(CN1CCC2CC1(CO)C2)C(=O)NN	2299756993	RWYBUIHKZCACBN-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1[C@@H]2COC[C@H]1C2	2300405059	YNOVLERNJZWYGS-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)CCCCCCN(CCO)CCO	2300625423	QNXHCCCUPJXVGC-UHFFFAOYSA-N	247.339	-0.787	50	10	BBGE	
COC[C@H](C)Nc1ccc(B(O)O)cc1C#N	2301341830	UAOKUUCHTLRXJV-QMMMGPOBSA-N	234.064	-0.315	50	10	BBGE	
CC(C)[C@H](CO)N(C)c1ncccc1B(O)O	2302492369	PDTDRVPEQRWYRH-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
O=C([C@@H]1C[C@@H]2C[C@H]2CO1)N1CC[C@@H](B(O)O)C1	2303114736	NUVKRXNWRWBDBR-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@H]3CC[C@H]2O3)c1	2309290316	ISNGCMAPRLEIFL-PTOFAABTSA-N	249.075	-0.292	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@]12CNC[C@H]1C2	2317160932	ADQSQKHJYRSKTA-BXKDBHETSA-N	243.075	-0.988	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308466	KJPZCLGKFIYWFQ-CABZTGNLSA-N	249.075	-0.374	50	10	BBGE	
CCN1CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2317347361	WPTIGRDUKOTLKO-UHFFFAOYSA-N	248.091	-0.705	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1CCO	58845974	DQQFZRPWHLPLAY-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)C(=O)CCl	58851543	UAWBQYLCRXYRBT-KNVOCYPGSA-N	209.673	-0.185	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](O)C1	82470424	AXEVCXCSBJUQNV-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nnnn1C	82471829	MZUOOCJHWHHEAP-BYPYZUCNSA-N	216.270	-0.929	50	10	BBGE	
C[C@@H](CN(C)CCOCC1CC1)C(=O)NN	87400300	KHFNDQQSJOZEAG-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@@H](N)C1	110919859	BFIBNEVMLBINHM-MRVPVSSYSA-N	238.291	-0.194	50	10	BBGE	
NCC(=O)OC(=O)[C@@H](N)Cc1ccccc1	115155368	DNXKBJVLPRMYJI-VIFPVBQESA-N	222.244	-0.415	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1C(N)=O	129321002	WUEPFSOYKIFWDF-PHDIDXHHSA-N	220.656	-0.674	50	10	BBGE	
CC(C)NC(=O)[C@H]1COCCN1C(=O)CCl	130250018	ZSUPOWXVZPFLDD-MRVPVSSYSA-N	248.710	-0.023	50	10	BBGE	
N#Cc1ncn(CCCC(=O)NN)c1C#N	164687076	UYUAVYVAJDUSDD-UHFFFAOYSA-N	218.220	-0.603	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](CO)C1	166153335	GISAYPOXYAWYTN-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(CO)NC(=O)C(=O)NCCCCl	170359502	NVGUHTZDXSWNFC-UHFFFAOYSA-N	236.699	-0.381	50	10	BBGE	
CCOCC(=O)NNC(=O)CSC	171770080	RMZDAAUROMDHGG-UHFFFAOYSA-N	206.267	-0.467	50	10	BBGE	
O=c1ncccn1Cc1ccc(F)c(B(O)O)c1	203171541	JPMWTMJTSIXWCX-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CC[C@@H](CO)N/C=C(/C#N)C(=O)NCCOC	216554066	BQOYIQBGOYBNRU-RNKPRXRFSA-N	241.291	-0.483	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](N(C)C)C1)C(=O)NN	227703875	IVXHGCNDDBAPRD-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
COC[C@@H](CO)NS(=O)(=O)CCCl	229357770	ZXQVRUSTNNLAPK-ZCFIWIBFSA-N	231.701	-0.848	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccccn1	232419218	CVQBKEFKAZQRFU-SNVBAGLBSA-N	238.291	-0.482	50	10	BBGE	
C[C@@]1(O)CCN(Cc2ccc(C(=O)NN)o2)C1	235461332	ZOPDQVMZUHPPPJ-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
NNC(=O)c1cccc(CN2CCOCC2)n1	236230652	UXJIWKPGYKYKHD-UHFFFAOYSA-N	236.275	-0.483	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C(N)=O)CC[C@H]1C	251190386	CGLQKTYERGYJKS-HRDYMLBCSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	251572010	VDHVTMQWGMUMKS-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](CN)C1	253178040	BNLCJKJXIZINRA-WCBMZHEXSA-N	242.323	-0.930	50	10	BBGE	
CN(C)CCCNC(=O)CN(C)C(=O)CCl	258956058	MELBLUYYBPJAJO-UHFFFAOYSA-N	249.742	-0.249	50	10	BBGE	
N#CCCc1ccc2c(c1B(O)O)OCO2	260011597	CVPUYCNOUWYUOB-UHFFFAOYSA-N	219.005	-0.449	50	10	BBGE	
O=C(NNC(=O)C1CCC1)c1cc[nH]n1	264673713	HIPMDUGTWKPZLD-UHFFFAOYSA-N	208.221	-0.029	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCS1(=O)=O	306625580	GZCGDVFZLRLGHX-BYPYZUCNSA-N	213.642	-0.676	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1cc(=O)n(C)[nH]1	307062521	PDMAUPBSCIINGC-RXMQYKEDSA-N	217.656	-0.043	50	10	BBGE	
C[C@H](Br)C(=O)N(C)C(CO)CO	308098673	FKUOCVPUPMYSDU-YFKPBYRVSA-N	240.097	-0.419	50	10	BBGE	
CO[C@@H](C)[C@@](C)(O)C(C)=NNC(N)=O	308336947	QTOMDNBWUJLWKQ-XPUUQOCRSA-N	203.242	-0.184	50	10	BBGE	
CN1CC[C@]2(CCN(CCC(=O)NN)C2)C1	309359359	OLVMFWHMHDGCLS-NSHDSACASA-N	226.324	-0.606	50	10	BBGE	
C[C@H](NC(=O)[C@H](N)Cc1ccccc1)B(O)O	310223514	NSYYAAGUDRGYOR-WCBMZHEXSA-N	236.080	-0.927	50	10	BBGE	
Nc1cc(OC(F)(F)F)c(F)cc1B(O)O	322302028	WGJBTUSGJWPEKA-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C#CCCC(=O)NNC(=O)CSC	379373479	LJDCDINTUQNKID-UHFFFAOYSA-N	200.263	-0.090	50	10	BBGE	
COc1ccc(B(O)O)c(CCC#N)c1	396030588	IIFAYYJYUXFGAX-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
O=CCCc1ccc(S)cc1B(O)O	396031965	LNYRAQZRKJMOCK-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1CO	396044447	YJOULXBXQACLPH-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
N#CCCc1c(CC(=O)O)cccc1B(O)O	396131677	FIDJRHAXNMFGIR-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
O=CCCc1ccc(B(O)O)c(C(=O)O)c1	396136519	YYEOKIDGZVVMJI-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)c(CCC#N)c1	396140425	WGLBASODFGFIDL-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
C[C@@H](CN1C[C@H](C)C[C@@H](O)C1)C(=O)NN	401696985	KMCXRKQTSQSJAB-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cncnc1	404927659	AJIPKMUIEMUQJR-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)[C@@H]1C[C@@H]1C	404996207	GTTDXNGGYXHHFP-IONNQARKSA-N	249.075	-0.031	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccc(B(O)O)cc2)CCCO1	404999554	KKLBFNGIQCMFKE-LBPRGKRZSA-N	249.075	-0.126	50	10	BBGE	
CS(=O)(=O)N1CCN2C[C@H](Cl)C[C@H]2C1	405262204	JRVFZZIULWUILP-SFYZADRCSA-N	238.740	-0.057	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@@H]2CCCC[C@@H]2N1	685990254	HANQCZLOMRHKEK-UTLUCORTSA-N	226.324	-0.548	50	10	BBGE	
O=C(O)[C@@H]1OC[C@H](CCl)[C@@H]1[N+](=O)[O-]	687759384	GOZHBJWNIQHRJX-VAYJURFESA-N	209.585	-0.030	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1[C@@H](C)O	688641788	VACMFXOCMYNSGD-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1SCCN(CC(C)(C)C(=O)NN)C1=O	691049228	IWYRYIBLZBHZDJ-ZETCQYMHSA-N	245.348	-0.034	50	10	BBGE	
COC[C@@H](CN(C)C[C@H](C)C(=O)NN)OC	691284639	DUATXHRERCSZKA-DTWKUNHWSA-N	233.312	-0.794	50	10	BBGE	
Cn1cncc1C(=O)N1CCC(O)(C#N)CC1	692115000	QACPGRIDJAWMDF-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
CN(C[C@]12CCC[C@@H]1C2)C(=O)C(=O)NN	693537967	WFVRTCKZQDUOLF-GMSGAONNSA-N	211.265	-0.375	50	10	BBGE	
CCN(CC)C1CN(C[C@@H](C)C(=O)NN)C1	697807676	VEMGLPMJQYJGEZ-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)[C@H](CO)C1	705326992	BKAHGPTXMIKUFU-BQBZGAKWSA-N	207.657	-0.716	50	10	BBGE	
NNC(=O)N1CC(OCC(F)(F)F)C1	707279261	RDTNRCIVCWZQGN-UHFFFAOYSA-N	213.159	-0.167	50	10	BBGE	
CN(C(=O)c1cn(C)nn1)[C@H]1COC[C@H]1Cl	709090637	WCAHAMRTGODDPD-SVRRBLITSA-N	244.682	-0.107	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cnn[nH]1	760278078	UUWNCOKYKNCSOF-UHFFFAOYSA-N	221.220	-0.631	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)[C@H]2CCCO2)n1	817214950	UPCQXRIMYNTGQB-MRVPVSSYSA-N	238.247	-0.640	50	10	BBGE	
CC[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CO1	853282632	LOXWQKGZZMSVLE-SECBINFHSA-N	239.275	-0.064	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CC=CC2)nn1	855188910	WNFHATUZUGMQMQ-UHFFFAOYSA-N	235.247	-0.458	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC12CC2)c1cc[nH]n1	855354849	KMGMQSXTAPXYPS-LURJTMIESA-N	220.232	-0.029	50	10	BBGE	
C=C[C@@H](NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)OC	863386668	YCVMSBPNWKACCU-YIZRAAEISA-N	242.275	-0.098	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1cn[nH]c1	1585745377	KZZSJPHNPZYJBC-QMMMGPOBSA-N	237.263	-0.735	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)c1ccc[nH]1	1623336665	DRAWFYSLKLHVBF-UHFFFAOYSA-N	225.204	-0.661	50	10	BBGE	
CC(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1	1632039960	YQADXAWGEZAYSY-UHFFFAOYSA-N	242.279	-0.713	50	10	BBGE	
COc1ccc(S(=O)(=O)NNC=O)cc1C	1858080427	CIDHPGYTRIGABY-UHFFFAOYSA-N	244.272	-0.057	50	10	BBGE	
O=S1(=O)NCCN1C[C@@H]1C[C@@H]1Cl	1881363871	BLNVZVKLIFKPBD-WDSKDSINSA-N	210.686	-0.236	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)CCl)[C@H]1O	1883811346	HVUZLIDROOVQMX-CAHLUQPWSA-N	207.657	-0.120	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1ncc[nH]1	1884830423	DHWMFKYBECCTLZ-ZCFIWIBFSA-N	233.680	-0.071	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1C[C@H](N)CCO1	1887241155	WMHCEBCYIFMZGD-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](S[C@@H]1CC[C@@H]1N)C(=O)NN	1887477547	ARNGQMXCJXEOSB-LYFYHCNISA-N	203.311	-0.022	50	10	BBGE	
CC[C@@H](C)NC(=O)NCC=CB(O)O	1892925350	UQHAKYNKLOTKCJ-SSDOTTSWSA-N	200.047	-0.348	50	10	BBGE	
C[C@H](COc1cccnc1C#N)C(=O)NN	1901440844	NZHQCSJUNKIZIE-SSDOTTSWSA-N	220.232	-0.042	50	10	BBGE	
CC(C)(CCN1CC[C@H](F)C1=O)C(=O)NN	1901638585	XNVWYHHDXNZIEX-ZETCQYMHSA-N	231.271	-0.037	50	10	BBGE	
C[C@H]1C[C@H](F)CN1Cc1nc(B(O)O)cs1	1902637587	NOZYWZNLVCZWTL-BQBZGAKWSA-N	244.100	-0.245	50	10	BBGE	
OB(O)c1cc(Sc2cc[nH]n2)ncc1F	1903005299	FNPVFEWPNQVAAU-UHFFFAOYSA-N	239.040	-0.225	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC2(F)F)ncc1F	1903006379	SFHUNNFSLIOMBX-LURJTMIESA-N	231.970	-0.280	50	10	BBGE	
O=CNc1ccc(C(F)(F)F)c(B(O)O)c1	1903039843	ONUAHFWYKVPEOM-UHFFFAOYSA-N	232.954	-0.047	50	10	BBGE	
NNC(=O)CCN1CCCN(C2CC2)C1=O	1905318483	DHFQHHOLRGQRJF-UHFFFAOYSA-N	226.280	-0.344	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCc2ncc[nH]2)C1	1905363993	XMUBLUZOZHJJQY-SNVBAGLBSA-N	223.085	-0.109	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCn1cccc(B(O)O)c1=O	1908591279	GIAJUTIRUSCDEF-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC=CC[C@H]1CO	1909017089	AERMGLZYZROMBJ-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@@H]1C	1914253940	HJRUGZBXOZARFB-XSPKLOCKSA-N	215.297	-0.544	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(CO)CC1	1915531794	ORICRLGXAWPQGT-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CCCNCC2)CC1	1917066417	BENWAFFZTPBTAV-UHFFFAOYSA-N	248.330	-0.036	50	10	BBGE	
C[C@@H]1CNC[C@H]1N1CCC(O)(C#N)CC1	1926452520	VBEWRJVFZXFBBX-NXEZZACHSA-N	209.293	-0.055	50	10	BBGE	
CCNC(=O)CSCC(F)(F)C(=O)NN	1927812048	FBXSYSKWHCQGQG-UHFFFAOYSA-N	241.263	-0.519	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	1927914190	RIAYMYUNGNFHAR-DTWKUNHWSA-N	214.313	-0.894	50	10	BBGE	
NC(=O)C(F)(F)CN=c1[nH]nc(CCl)o1	1928326297	MJUTWKZLZVVFPL-UHFFFAOYSA-N	240.597	-0.237	50	10	BBGE	
CCON(C)C[C@H]1CC[C@H](C(=O)NN)O1	1928678586	WTCOZZILAUMNLG-HTQZYQBOSA-N	217.269	-0.593	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2[C@@H](O)C[C@H]2C1	1931419506	MOTNFBNZNNFKIR-RNJXMRFFSA-N	239.724	-0.132	50	10	BBGE	
CC[C@]1(C)CN(C(=O)C(=O)NN)CCO1	1932355452	SHPWTEBSIOGBGA-SECBINFHSA-N	215.253	-0.996	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNCCSC1	1933021206	LNTNCLRSZCUKCC-SSDOTTSWSA-N	203.311	-0.468	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCOC1(C)C	1933167444	NKSYGADAMCRTFA-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H](O)CC1	1935942505	RCIIHKIMGIGDTQ-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
CC1(C)[C@@H]2CC(CNC(=O)C(=O)NN)C[C@H]21	1937527837	HHSJNPMGBANTAE-HTQZYQBOSA-N	225.292	-0.225	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1937550006	YTIDZHYBQJHXTR-KOLCDFICSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@]12CCOC2	1937567073	YQYFQWJJCRCOMQ-JTQLQIEISA-N	227.264	-0.852	50	10	BBGE	
CCCn1nncc1CN(C)CC(=O)NN	1939600722	FAEMLKPFIZTBGW-UHFFFAOYSA-N	226.284	-0.890	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CC(C)(C)C(=O)NN	1939636504	CRJNUKYQFWHMOK-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1cc(C(=O)NN)no1	1947986394	TZZPWAWPHDFCHG-JTQLQIEISA-N	240.263	-0.765	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCOC12CCCC2	1949414055	AOPVXHRKUNVXAL-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
COC1(C(N)=O)CN(C[C@@H](Cl)C#N)C1	1955617092	IJYFJPQPCDXNDH-LURJTMIESA-N	217.656	-0.697	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)cn2)C1	1957983071	XUROOKKWMYAVPN-IUCAKERBSA-N	208.070	-0.001	50	10	BBGE	
COc1cncc(C(=O)NNCCO)c1	1960565604	UCUJNISMDFYNBX-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCO[C@@H]2C[C@@H]21	1961508245	IALFJZJOHVCVKD-LURQLKTLSA-N	213.281	-0.526	50	10	BBGE	
C[C@@H]1CSCCN1c1nc(B(O)O)cs1	1961718807	UINKOQVPNXNDIC-ZCFIWIBFSA-N	244.150	-0.235	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21	1961815205	LBFNSIGNJOWCRH-CVPUBMOQSA-N	209.293	-0.047	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)nn1	1972414417	QFBKTVULDYEPBG-VIFPVBQESA-N	249.079	-0.218	50	10	BBGE	
CSCCC(=O)Nc1ccc(B(O)O)cn1	1976029400	GJMCEUIFUAYXEO-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
C[C@@]12CCCN(C(=O)C(=O)NN)[C@@H]1COC2	1976539155	CJDMOSAQHPLDJH-XCBNKYQSSA-N	227.264	-0.996	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1979617268	YLKVAKPVWIKBQY-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H]1CF	1981410224	XFHZEUOQMVRLOU-MRVPVSSYSA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1cccnc1Sc1ccncn1	1981465897	SAOJWAJURZZAKJ-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)CCC12CCC2	1982212119	PRRIDSQPXNQIAG-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H](CCO)C(F)F	1984132233	OHHFBCRBKKHTKR-RQJHMYQMSA-N	239.266	-0.297	50	10	BBGE	
CCc1ccn(-c2ncccc2B(O)O)n1	1986240712	ASYNYGDWGVKGDD-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
NNC(=O)CN1CC[C@H](c2ccncc2)C1	1990089007	QXBBIINCVBTVGY-JTQLQIEISA-N	220.276	-0.139	50	10	BBGE	
C[C@@H]1[C@@H](C)N(C)CC[C@H]1N(C)CC(=O)NN	1990104699	HGXAOJSBAGYRCP-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCn1cc(B(O)O)cn1	1991146589	DULDKUMBDQZQDN-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
Cn1cc(CCNC(=O)C=CC(=O)Cl)nn1	1991653265	XLDIQGGYNQKVPQ-UHFFFAOYSA-N	242.666	-0.205	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@H]1CCNC1=O	1991663800	YNYDASSRPZELJX-ZETCQYMHSA-N	244.678	-0.050	50	10	BBGE	
CC(C)C[C@H]1C[C@H]1C(=O)NCC#CB(O)O	1992145151	IRKNWCHPFPFKTF-VHSXEESVSA-N	223.081	-0.200	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992326176	DMIKWZRLAIAGTD-KXUCPTDWSA-N	227.308	-0.136	50	10	BBGE	
COC(=O)c1cc([N+](=O)[O-])cc(B(O)O)c1C	1995812053	CBSPPRDVGDNCRR-UHFFFAOYSA-N	238.992	-0.630	50	10	BBGE	
CC(C)NC(=O)[C@@H]1CCCN1CCC(=O)NN	2003617193	VSKOOBNKXNUKAL-VIFPVBQESA-N	242.323	-0.645	50	10	BBGE	
CC(C)N(Cc1ccnn1C)C(=O)C(=O)NN	2003809293	BDNRCNFITODOIB-UHFFFAOYSA-N	239.279	-0.853	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C)c1ncc(B(O)O)cn1	2004916141	IKWLOYSYBLHHJC-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
CC[C@H]1C[C@H](C)CN1c1ncncc1B(O)O	2004919558	AOAUWOKSXMFOHP-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
CCOC[C@H](C)Oc1ncnc(C)c1B(O)O	2004936369	YMKIZZAVFBMHKX-ZETCQYMHSA-N	240.068	-0.731	50	10	BBGE	
C[C@@H]1COCCN(c2ccncc2B(O)O)C1	2004940708	ZIRHJUNIUNLBDG-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
Cc1nc(N2C[C@H](F)[C@H](F)C2)ccc1B(O)O	2005017680	IUIUQPHRCMGINT-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
C[C@H]1C[C@H]1N(C)CCn1cc(C(=O)NN)nn1	2005109478	BWJLDVASDOCLLP-IONNQARKSA-N	238.295	-0.778	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(N(C)C)C2	2006383124	YDZXCMYPNVKGBW-UTLUCORTSA-N	240.351	-0.078	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCCC23CC3)nc1	2011898086	GWDXYXHHBSPNCV-SECBINFHSA-N	234.064	-0.132	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1CC1(C(=O)NN)CC1	2012364594	RPAFHWZLQKKKIS-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CC(=O)N2CCC[C@H]12	2014834994	VJASTAPQZWQGGH-IWSPIJDZSA-N	240.307	-0.940	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCOC[C@H]1F	2019175242	AKMXSWPIEHEKLU-BDAKNGLRSA-N	247.270	-0.788	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC(F)(F)C1	2022195933	DDFMVXBBPIDQLZ-UHFFFAOYSA-N	241.002	-0.543	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1	2022196091	GOFDKMLQATXJFB-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
CCN(C)CCOCc1cccc(B(O)O)c1	2022699118	PMDOAHXGCJPWCY-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(CCO)CCC1	2025522354	PYMJBNSONBIRHI-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(OCCCO)C1	2026044990	LHVAVGBCDYJBBU-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
Cn1cc(OCc2cncc(C(=O)NN)c2)cn1	2027484722	UZTKCDAOYOTESE-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2CN3CCC2CC3)n1	2033953058	PHSCELOHJOCIGY-NSHDSACASA-N	249.123	-0.705	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1	2055389136	ZEEXNXGOLSPWGD-UHFFFAOYSA-N	245.242	-0.199	50	10	BBGE	
CCOc1c(C=O)cc(C#N)cc1B(O)O	2060185787	XZGKNEZJPKTUFV-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1cc(C=O)cc(B(O)O)c1C#N	2060188298	FWGCODQBBBWULS-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccccc1B(O)O	2079008931	NNPLVFKHWZOJRU-SNVBAGLBSA-N	243.071	-0.396	50	10	BBGE	
O=C1COC2(CN1)CN(C(=O)[C@H]1C[C@H]1Cl)C2	2208840767	AGGXJYNOZHKLNS-NKWVEPMBSA-N	244.678	-0.659	50	10	BBGE	
CCN(C)S(=O)(=O)NOCCCl	2209066438	ZTHQTRSGNRGUGH-UHFFFAOYSA-N	216.690	-0.057	50	10	BBGE	
Cn1cc(NC(=O)C(=O)NN)c(Cl)n1	2210024435	VEWQDUVNEAYVAA-UHFFFAOYSA-N	217.616	-0.998	50	10	BBGE	
CNCCSc1cc(B(O)O)ccn1	2210063513	AXGBBWAQSOHGDV-UHFFFAOYSA-N	212.083	-0.927	50	10	BBGE	
OB(O)c1csnc1CN(C1CC1)C1CC1	2211136343	RFTXPSRNRXMWRZ-UHFFFAOYSA-N	238.121	-0.050	50	10	BBGE	
Cc1ccnc([N+](=O)[O-])c1OCC(=O)NN	2212234825	PPCSYDCUBHLUDP-UHFFFAOYSA-N	226.192	-0.333	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H]1CF	2212603061	MPZKCYKYLFGEIH-HTQZYQBOSA-N	224.044	-0.221	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@]2(CO)C1	2215773922	UXQMAHLPGTWURE-GUDRVLHUSA-N	239.319	-0.683	50	10	BBGE	
COC12CCC(CNC(=O)C(=O)NN)(CC1)C2	2217171458	DSYRJCZPFIDOGX-UHFFFAOYSA-N	241.291	-0.558	50	10	BBGE	
CC[C@@H](N)CN(CC)c1cc(B(O)O)ccn1	2217173579	SMAQAXHMRXMCAH-SNVBAGLBSA-N	237.112	-0.675	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)ccn1)C1CCC1	2217175037	CFMUHCZMXRETIK-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2217181432	PWNQSMDIMKJRPW-PSASIEDQSA-N	238.096	-0.426	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2217181803	VIXIOQVKDYGZJF-XROYCOCOSA-N	234.064	-0.731	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)C(C)(C)C	2217201992	SPVOYZBXZQKHFX-MRVPVSSYSA-N	237.112	-0.328	50	10	BBGE	
OB(O)c1cccnc1NC1CC2(COC2)C1	2217202375	JXWUZXCALDLONW-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cnn(C)c1	2223641767	WIDLRBRTZYSOLI-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN2CCC[C@H]12	2223667689	UQQMBDRNHNZXDP-WDEREUQCSA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC23CCNCC3)c1	2223668542	XXNHUTDGHBYYLU-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
CS(=O)(=O)[C@H]1C[C@H](C(=O)N=C=O)C1	2241664026	LYFANZMSJPNFCO-IZLXSQMJSA-N	203.219	-0.328	50	10	BBGE	
O=C(NC1CNCCNC1)[C@@H]1C[C@H]1Cl	2242024588	QMGCQAUIHKJVNU-HTQZYQBOSA-N	217.700	-0.709	50	10	BBGE	
CC[C@](C)(CN(C)C(=O)C#CB(O)O)OC	2243361427	BAGZLMWKASXABU-SNVBAGLBSA-N	227.069	-0.725	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1=O	2243365671	PRVZJZHWWZHGOQ-RNFRBKRXSA-N	225.053	-0.223	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243399794	QLVBRJCYLQLJGO-XPUUQOCRSA-N	222.053	-0.777	50	10	BBGE	
Cc1ccoc1CN(C)C(=O)C#CB(O)O	2243400828	IHXYBCASZVWQJB-UHFFFAOYSA-N	221.021	-0.438	50	10	BBGE	
COCCCNC(=O)c1ccc(B(O)O)s1	2243406979	IZLXWUUVEWIUFR-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNC(=O)C1(B(O)O)CC1	2243410958	LBYXTHPUPKCLEU-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CNC(C)(C)CNC(=O)C1CC(B(O)O)C1	2243413944	QICNIJYLWKLBKZ-UHFFFAOYSA-N	228.101	-0.646	50	10	BBGE	
CC[C@H](COC)C(=O)NCCC#CB(O)O	2244556040	VTSXGHYYEFRTTQ-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
NN=c1cc(C(=O)NC[C@@H]2C[C@H]2Cl)cn[nH]1	2245275516	FROFPUOHVRTDRQ-CAHLUQPWSA-N	241.682	-0.459	50	10	BBGE	
NN=c1cc(C(=O)NC[C@H]2C[C@@H]2Cl)cn[nH]1	2245275519	FROFPUOHVRTDRQ-VDTYLAMSSA-N	241.682	-0.459	50	10	BBGE	
CCCN=c1cc(C(=O)NN(C)C)cn[nH]1	2245312305	QECQBIBIAOXZNS-UHFFFAOYSA-N	223.280	-0.073	50	10	BBGE	
CC(C)(C)[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247732160	CPMLMBRVHZVFLJ-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](OC(F)F)C1	2247742390	ODOLVVMBQTUXNB-SSDOTTSWSA-N	247.006	-0.768	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C1CCC1)C(=O)C#CB(O)O	2247747860	UHNHJFCINDJCHZ-QWRGUYRKSA-N	235.092	-0.104	50	10	BBGE	
O=C(N1CCc2nc[nH]c2C1)C1(B(O)O)CC1	2247759186	YVAHTQDQYUFEBA-UHFFFAOYSA-N	235.052	-0.699	50	10	BBGE	
CNC[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791190	LIZKJVOLIFVHTO-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C(=O)C1CC(B(O)O)C1	2247798363	SQPYZXMQOBFUJX-UDNWOFFPSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247801163	XRFXOEOTUUUKBB-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC12CCC(CC1)OC2)[C@@H]1C[C@H]1B(O)O	2247804770	IKYSZCSHBKOFBX-VCZAYRLQSA-N	239.080	-0.323	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccnn1C	2247809168	YAYVCMGMVAUJMW-BIIVOSGPSA-N	237.068	-0.540	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2247868397	TUOPFNLNZQPJCK-SSDOTTSWSA-N	235.048	-0.591	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(C(=O)C2(B(O)O)CC2)C1	2247870434	JQUGDQFVMDGQTD-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247878078	HMFPMJUWDUBLIE-JGVFFNPUSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C1(C)CC1	2247878836	OBIJKBVXNCFSKW-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC(C)OC(=O)CNC(=O)C1(B(O)O)CCC1	2247879175	RPFDCEPLBOKBBH-UHFFFAOYSA-N	243.068	-0.549	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCNCC2(CC2)C1	2247898845	ICLZRDHGNBQIFP-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H](N)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247900696	ZADFPINRJDJGFK-JEZHCXPESA-N	240.112	-0.565	50	10	BBGE	
CCCn1cnnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2250324134	CKAUPDAQIZVPMX-RQJHMYQMSA-N	238.056	-0.511	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2251001725	KIXSWNXBWBLOBF-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2251034600	YJXGBTJEVDIFEV-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
Cc1nccnc1C(=O)N[C@@H]1CCC=C1B(O)O	2254369359	XRDWMPQMNHTYTO-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC2(CC1)CC2	2255458624	UNWZWJUTNIDHNF-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1[C@H]2CCC[C@H]1CC2	2255547018	BXSXDQBICQFAJZ-YUMQZZPRSA-N	249.079	-0.753	50	10	BBGE	
O=C(N[C@@H]1CCC2(CC2)C1)c1n[nH]cc1B(O)O	2255547872	JDZQARJYZSTMGP-SSDOTTSWSA-N	249.079	-0.848	50	10	BBGE	
NCCN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccccc1	2255562889	AKZHKACGOGBZFY-WDEREUQCSA-N	248.091	-0.159	50	10	BBGE	
N=c1cc(CNC(=O)C2CC(B(O)O)C2)cc[nH]1	2255570211	DIPWPBKSNUBIDQ-UHFFFAOYSA-N	249.079	-0.637	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1ccc(B(O)O)o1	2255670848	JEHOTAGTIJMDMD-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
C#CC1CN(C(=O)c2cccc(F)c2B(O)O)C1	2255686171	NAGIKVQNBIRTJM-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cccc(F)c1B(O)O	2255688846	AWTFURWCIKROOC-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
O=C(N1CCc2ncccc2C1)C1(B(O)O)CC1	2255741593	NSPBGOUQSDJRAZ-UHFFFAOYSA-N	246.075	-0.027	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255952026	NUAAMRVEHGYPIW-QMMMGPOBSA-N	249.075	-0.234	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258137203	TYDALFOQYUDLAU-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2258139300	VGMLMONPBJYSBC-LLVKDONJSA-N	249.075	-0.004	50	10	BBGE	
O=c1cnccn1Cc1c(F)cccc1B(O)O	2261002709	VQWJWUUPQFRZSX-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=C(NC1([C@H]2CCNC2)CC1)[C@@H]1C[C@H]1B(O)O	2298371543	OBBARVLFVGXFKL-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1C	2298371870	YHZPXAAFAJSWAQ-SGIHWFKDSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1C	2298375084	YHZPXAAFAJSWAQ-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC[C@H]1CC(F)(F)CO1)[C@@H]1C[C@H]1B(O)O	2298377134	GDFUKFTVNZYXBS-FSDSQADBSA-N	249.022	-0.610	50	10	BBGE	
O=C(NC[C@H]1C[C@]12CCOC2)[C@@H]1C[C@H]1B(O)O	2298377567	WDOQXQFEFOAYAF-CDLYGTGVSA-N	239.080	-0.608	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1ncccc1B(O)O	2300055985	WSNBVKPWJTZRQQ-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]1C[C@H]2O	2300194821	SXLYMARPEXSLLC-ZKKRXERASA-N	239.319	-0.542	50	10	BBGE	
C[C@H](O)CN(CCO)[C@@H](C)CCCC(=O)NN	2302025635	RXQDTHUHYUOYNY-UWVGGRQHSA-N	247.339	-0.790	50	10	BBGE	
OB(O)c1cc(N2CC3(CC3)CO2)ncc1F	2303835326	VJHMJGYDGCXTAO-UHFFFAOYSA-N	238.027	-0.568	50	10	BBGE	
OB(O)c1cc(N2CCC(F)CC2)ncc1F	2303835926	FHBVZULXYBTOIO-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
CC[C@H](C)OCCn1cc(C(=O)NN)nn1	82465155	SXBCTADOPLLDIZ-ZETCQYMHSA-N	227.268	-0.303	50	10	BBGE	
CCn1c2c(cc(C(=O)NN)c1=O)CCC2	82673696	RSLDMGLOGBGPPG-UHFFFAOYSA-N	221.260	-0.040	50	10	BBGE	
N[C@H](CO)c1nnc(CBr)o1	83351662	ZDDGGAQLHQBANJ-GSVOUGTGSA-N	222.042	-0.043	50	10	BBGE	
C[C@@H]1C(=O)N(CCCCC(=O)NN)C(=O)[C@@H]1C	118378278	HGQUUGAIYKRALL-OCAPTIKFSA-N	241.291	-0.212	50	10	BBGE	
COc1c(Cl)cc(C=O)cc1B(O)O	197233741	QRKBAGJAJIEBRJ-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
NCCCc1nnc(-c2cccc(B(O)O)c2)o1	211478106	QTYOQPQAZBINAW-UHFFFAOYSA-N	247.063	-0.692	50	10	BBGE	
C[C@H](Cl)C(=O)NCCOCC(N)=O	218384259	OIPONMIFFFCIQX-YFKPBYRVSA-N	208.645	-0.768	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](CO)C1	219251460	UCUIVLQDNPAPSQ-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](C)O[C@@H](CO)C1	230058284	IUSUOKZRSUUNSM-UTINFBMNSA-N	245.323	-0.918	50	10	BBGE	
Cn1ccn(Cc2cccc(C(=O)NN)n2)c1=O	236119838	ZWQCNRMSUIRWNI-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CC(C)[C@H](Cl)[C@](O)(C(N)=O)C(=O)O	238159780	GTAWNWRQCMSVIH-FFWSUHOLSA-N	209.629	-0.449	50	10	BBGE	
N[C@H](CCC(=O)O)C(=O)NCCCl	238652116	ZWTXHFBODMSTSQ-RXMQYKEDSA-N	208.645	-0.467	50	10	BBGE	
CC(C)(CN1CCN2CCC[C@H]2C1)C(=O)NN	250369710	SLDQYWDRJPPSDW-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252855149	HJIWVFPWSMZCCW-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CNNC(=O)C[C@@H](N)[C@@H]1CCCN(C)C1	258957461	BRIRNKOCWNJVOI-RKDXNWHRSA-N	214.313	-0.704	50	10	BBGE	
C[C@H](SCC(=O)N1CCCC1)C(=O)NN	300777173	AXSXWZCPZBTNCO-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
CCNC(=O)CS[C@H](CC)C(=O)NN	300903132	WFAQOMHHPQZPHR-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
Nc1ccc2sc(N)c(B(O)O)c2c1	306943133	UWUVCWLEFJLYAW-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C1CN(Cc2cnns2)CC(=O)O1	307192475	CUJKMGGTCLYSCQ-UHFFFAOYSA-N	213.218	-0.577	50	10	BBGE	
CN1C[C@@H](NS(=O)(=O)CCCl)CC1=O	308660577	POERYRFJHUNDOV-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
CC(=O)NNC(=O)Cn1nncc1[C@H](C)Cl	309317947	OIGAHPHZJQMPHW-YFKPBYRVSA-N	245.670	-0.255	50	10	BBGE	
COC(=O)Cn1ccc2ccc(B(O)O)cc21	382639383	LBWKGBAQSGFNQS-UHFFFAOYSA-N	233.032	-0.506	50	10	BBGE	
CCC1(O)CN([C@H](C(=O)NN)C(C)C)C1	384168424	SZJXWHMYDCWXAT-QMMMGPOBSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)c1sccc1CN1CC(O)C1	384183486	WVOGDURDOQDYAN-UHFFFAOYSA-N	227.289	-0.472	50	10	BBGE	
N#Cc1cccc2sc(B(O)O)c(CO)c12	396216392	GZVRJKNTXRQTHN-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@H](C)C1	401550672	YSSYJFIYLJWKBK-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1B(O)O	405014851	SSMUBDYQUPHGPF-DTWKUNHWSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584968337	KIQOJUHFLJATAW-KWQFWETISA-N	249.075	-0.726	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)CC(=O)NN)CO1	688490114	YDXBWVRSVCIBSI-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC(C)N(CC(C)(C)O)[C@@H](C)C(=O)NN	689907923	ZBRADAZXTQTGKG-QMMMGPOBSA-N	217.313	-0.154	50	10	BBGE	
C[C@@H](CC(F)F)Cn1ccc(B(O)O)n1	694228868	NEOSGPQMUGXPAN-LURJTMIESA-N	218.012	-0.146	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@H]1CCO	694917963	BNLUPWFXGFLXBB-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
COC[C@H]1CCCN1[C@@H](C)CC(=O)NN	696548813	MBJGGYYWHMPEJP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCOC[C@@H]1CCCN1[C@@H](COC)C(=O)NN	696570193	UTNGCJNAVCFDHZ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H]1C1CC1	699065259	YYHKDHBEWIQRGE-ZJUUUORDSA-N	246.075	-0.254	50	10	BBGE	
C[C@H]1CCN1CCOc1ccc(B(O)O)cc1	706817263	RNGBMMADMORWDU-JTQLQIEISA-N	235.092	-0.161	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	708287749	VEXUHKFNZGINKI-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
C#CCOC(=O)N1CCc2c(B(O)O)cccc21	712133500	RIYWXUJTNOZIRM-UHFFFAOYSA-N	245.043	-0.501	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@H](F)[C@H](F)C2)O1	714565935	RSKAROLLYHGDPU-RBXMUDONSA-N	249.261	-0.484	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](O)[C@H]1C	718893279	SFCVNBWBTTTYEK-ZYUZMQFOSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](C)CC1	720471647	JUUBRBSZZFNBCS-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CN1CC[C@H]2CC[C@H](O)[C@H]1C2)C(=O)NN	721718319	QWTVVDLTXFDJKR-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721778517	RBERWFGVTJLMGI-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN2CCC1CC2	722805700	BEOCDFBCLLSWHK-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CN1C[C@H]2CSC[C@@H](C2)C1	725663277	MFECTBRYAMQHDB-YUMQZZPRSA-N	215.322	-0.339	50	10	BBGE	
CC(=O)NC(C)(C)C(=O)NNC(=O)NC(C)C	726770814	ICRRDETTXSSGAF-UHFFFAOYSA-N	244.295	-0.360	50	10	BBGE	
C[C@H]1CC(=O)N(CCCC(=O)NN)C[C@H](C)O1	829144560	CYKKWTXMLUOFKX-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC12CC2)c1cc[nH]n1	855354850	KMGMQSXTAPXYPS-ZCFIWIBFSA-N	220.232	-0.029	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NC2COC2)cn1	870871236	NESYJZAKPLDOOW-MBXJOHMKSA-N	232.243	-0.158	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)C1=COCC1	923908486	NEPOCPJAQFOCNX-UHFFFAOYSA-N	240.244	-0.397	50	10	BBGE	
CN1CC[C@@H](C(=O)NNc2ccncn2)C1=O	1158664860	BGYLVRKYKWWTNS-ZETCQYMHSA-N	235.247	-0.602	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)C1=COCC1	1162154885	VBQJGAUEQJBKRU-UHFFFAOYSA-N	234.215	-0.458	50	10	BBGE	
O=C(Cc1ccon1)N1CC[C@H](B(O)O)C1	1329292863	MYOBSQWAWVAOFQ-ZETCQYMHSA-N	224.025	-0.708	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1cnsn1	1455601473	VAZPGAGEESDLBV-NSCUHMNNSA-N	212.234	-0.125	50	10	BBGE	
COCCN(C)NC(=O)[C@H](C)CC(N)=O	1467956889	PIFQECCDKXTJJW-SSDOTTSWSA-N	217.269	-0.893	50	10	BBGE	
Cc1ncc(C(=O)NN(C)C[C@H](C)O)c(N)n1	1625937356	FJFYBWMGLXYXCC-LURJTMIESA-N	239.279	-0.675	50	10	BBGE	
N#C/C=C\CN1C(=O)NC2(CC(O)C2)C1=O	1641358095	JTPBRBPWTFGTOQ-UPHRSURJSA-N	221.216	-0.489	50	10	BBGE	
CN(C)S(=O)(=O)C1CN(C(=O)F)C1	1882787047	HNOQGBMHOKATAH-UHFFFAOYSA-N	210.230	-0.349	50	10	BBGE	
NC[C@H](CO)C(=O)NC1CC(Cl)C1	1882801904	LFSNZSZMODHXCV-GRQBKTHUSA-N	206.673	-0.560	50	10	BBGE	
N#CCNC(=O)CNC[C@H]1C[C@H]1Cl	1883551968	LJNPNWSXGAVYRQ-RNFRBKRXSA-N	201.657	-0.157	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@@H]1C	1885870923	BSRIVPJLYWKHNY-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
CN(NC(=O)C(F)F)S(C)(=O)=O	1888562649	YOJRLVIWZNEPND-UHFFFAOYSA-N	202.182	-0.826	50	10	BBGE	
COC(C)(C)CN1CC[C@@H](B(O)O)C1	1891493455	VNOZIHCPIPBGFL-MRVPVSSYSA-N	201.075	-0.040	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	1899869446	CAGUQVDUHCQICZ-DJLDLDEBSA-N	229.085	-0.531	50	10	BBGE	
C[C@H](CC(=O)NN)OCCO[C@@H]1CCOC1	1900890410	PGFZPIKCDJAFHW-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1=CCNCC1	1901376764	FTFUZYUISFIKLV-UHFFFAOYSA-N	247.320	-0.781	50	10	BBGE	
OB(O)c1cc(N2CCSCC2)ncc1F	1903006483	UJPFCLSWCHTEEG-UHFFFAOYSA-N	242.084	-0.546	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccc(B(O)O)s1	1904902949	VTTJFWRPBCTIIQ-IZLXSQMJSA-N	243.068	-0.342	50	10	BBGE	
CCC[C@@H](CO)Sc1ncc(B(O)O)cn1	1905074776	AJOMKWOTQZZSBB-QMMMGPOBSA-N	242.109	-0.591	50	10	BBGE	
C[C@@H](CC(=O)NN)n1nc2n(c1=O)CCCC2	1905534650	BAVWVKQXKFFHEH-ZETCQYMHSA-N	239.279	-0.678	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@@H](F)C2)ccc1B(O)O	1907081723	WDBSVKZLSXRTDW-XCBNKYQSSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC(C)(C)C(=O)NN	1914258801	JHEXOMNDJJZCCN-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)C[C@@H]1C#N	1914870751	AANXNARWDNIGGS-JTQLQIEISA-N	239.323	-0.714	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(F)(F)C1	1917244006	ZBMJGONPFLZKSY-NTSWFWBYSA-N	205.208	-0.437	50	10	BBGE	
O=CCCC(=O)NNC(=O)C(F)(F)F	1923406951	SJLPGLOBTAQUPH-UHFFFAOYSA-N	212.127	-0.325	50	10	BBGE	
CCC[C@H]1CCN1[C@@H](COC)C(=O)NN	1927992110	MMNHZKKHTHQKRY-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)Cn1cc(C=NNC(N)=O)nn1	1929921847	FEIBOKIMMIXFHV-UHFFFAOYSA-N	210.241	-0.064	50	10	BBGE	
C[C@@H](CN1C[C@H](O)C2(CC2)C1)C(=O)NN	1930236128	WAOOCMCZXMANLB-YUMQZZPRSA-N	213.281	-0.931	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(CCO)C1	1932108220	MIURYAFABUVKLP-SECBINFHSA-N	215.297	-0.685	50	10	BBGE	
O=C(NC[C@H]1COC[C@H]1O)OCCl	1933390422	WEWZWDPBSSJTOR-NTSWFWBYSA-N	209.629	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)[C@@H](C2CC2)C1	1943083699	PDLZQQOKYPSOAD-LNFKQOIKSA-N	239.319	-0.685	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@@H](O)C#N)cn1	1952996096	MFIXAVSWJDEJRY-IUCAKERBSA-N	221.216	-0.248	50	10	BBGE	
N#CC1CN(S(=O)(=O)NCCCl)C1	1954792137	RUTQUHSTYOZAMP-UHFFFAOYSA-N	223.685	-0.485	50	10	BBGE	
CC(F)(F)[C@H]1CCN(CC(=O)NN)C1	1955474918	MNMDSDPUULRDKM-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CN(C[C@@H](O)CCl)C1CC(C(N)=O)C1	1956254227	IYJCUZWINJVRRS-RRQHEKLDSA-N	220.700	-0.218	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NNC(N)=S	1956345458	MRZBCJPKVFTGPI-LURJTMIESA-N	219.310	-0.088	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@H]32)n1	1956963823	DFVPSQQCIQTMEQ-PHDIDXHHSA-N	210.067	-0.579	50	10	BBGE	
Cn1nccc1[C@@H]1CCN(C(=O)NN)C1	1961482858	MXTGLSDQTRRZDY-SSDOTTSWSA-N	209.253	-0.207	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@@H]3C2)n1	1961718173	LAKGXSLMUZFIPK-RNFRBKRXSA-N	224.094	-0.331	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@@](=O)C[C@@H]1C	1981191481	JZDYQIYXTDXJGE-FRNRBWFLSA-N	247.364	-0.546	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ncncc2B(O)O)C1	1981414669	VAYHMWFEVGHNPN-HTQZYQBOSA-N	221.069	-0.609	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)ccc1=O)C1CC1	1984101217	JKNJMAQPXRNXRP-QMMMGPOBSA-N	221.065	-0.426	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1COc1ncc(B(O)O)cn1	1985912992	ZUCCYVXGGIAFJS-QMSLJYSESA-N	222.053	-0.563	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	1986053750	XHEAWPUVSOYBAF-QCLAVDOMSA-N	227.308	-0.136	50	10	BBGE	
O=C(F)N1CCc2cc(B(O)O)ccc2C1	1987564255	IHQMACBEGWJDSH-UHFFFAOYSA-N	223.012	-0.186	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCSC1	1990775605	XTCBVLCNMONWPU-VIFPVBQESA-N	245.348	-0.161	50	10	BBGE	
NC[C@@]1(O)CCCN(C(=O)/C=C/C(=O)Cl)C1	1991706018	LGCBJKHXAKIYPM-PBKGFPTLSA-N	246.694	-0.380	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOC[C@H](CO)C1	1991714013	AFEHPFWMGQEINF-CMLYIYFCSA-N	247.678	-0.225	50	10	BBGE	
CC(C)(C)OC[C@H]1CCN(C(=O)C(=O)NN)C1	1996906838	LRNOYNFAPWJYCB-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CC[C@H](O)CN(C[C@H]1C[C@H]1C(=O)NN)C1CC1	2000012682	ZROZBMYYRXUIFJ-DVVUODLYSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)OCC1(C)C)C(=O)NN	2002291062	RMWCTIBBELBULU-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CCCOCCOc1ncc(B(O)O)cc1F	2004929540	LLEZSNDVEAGLEN-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1[C@H]2COC[C@H]12	2006196415	BELWGYRHFOEIKN-GMTAPVOTSA-N	241.335	-0.175	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C(=O)N(C)C)C1	2008309175	XBVXNLLTIMNABL-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@H]1CC[C@@H](C(=O)NN)C1	2010834433	CMMJHLICTGBLJR-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
OB(O)c1cnccc1N1O[C@H]2C=C[C@H]1CC2	2021438499	ZLAYPJKRZYMLTJ-IUCAKERBSA-N	232.048	-0.400	50	10	BBGE	
CN(C)C(=O)N1CCc2ccc(B(O)O)cc2C1	2032569353	PAAHSDQOGPTQMR-UHFFFAOYSA-N	248.091	-0.594	50	10	BBGE	
CCC[C@@H](C)Cn1cnc2c(B(O)O)ncnc21	2055728365	LOXCPTDODBGQAH-MRVPVSSYSA-N	248.095	-0.058	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccn2nncc2c1	2066170779	QXHQTDCMPVLVNX-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@@H]1[C@H]2COC[C@H]21	2068627678	HUSDHGIUFUTDGC-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071241075	NTXVKKVGXFVPGO-HIEHBEHPSA-N	245.087	-0.570	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@]12C[C@H](CCO1)C2	2073407151	JRDIVSATAFTAQD-WVSHTKLVSA-N	249.075	-0.903	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cccnc1O	2076077923	CQGQLDXMGYXVFV-SECBINFHSA-N	248.047	-0.382	50	10	BBGE	
Cn1cn[nH]c1=N[C@H]1COC[C@@H]1CCl	2209807326	YZLVLFUBHIHGHI-BQBZGAKWSA-N	216.672	-0.097	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@H]1CC[C@H]1C(=O)NN	2211827086	AAKLVBVSDUFUSD-MDZKRCCYSA-N	248.352	-0.423	50	10	BBGE	
C[C@@H](CCO)N(C)CC1(C(=O)NN)CCC1	2212264836	CZVOZAYNCYGYGU-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1ncccc1B(O)O	2212601582	PXMQULXRJDIQDQ-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1cc(B(O)O)ccn1	2212607247	IIMPLUVHLPKPJD-HTQZYQBOSA-N	224.069	-0.734	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H](CO)CC1CC1	2213909955	CPULQNBYMYKAPW-AXFHLTTASA-N	241.335	-0.295	50	10	BBGE	
CC(C)N(CCN)Cc1cccc(B(O)O)c1	2214593019	NNJPKVCNPFXXHA-UHFFFAOYSA-N	236.124	-0.465	50	10	BBGE	
CC(C)(CN1C[C@@H](O)CCC12CC2)C(=O)NN	2214779393	DGMKFAKRCJQHTC-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H](F)[C@@H](CO)C1	2215776732	OPWIOOLAFNKSBG-KYXWUPHJSA-N	245.298	-0.735	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCO[C@@]2(C#N)C1)C(=O)NN	2216067643	GRNGAJMJUJSEKG-YWVKMMECSA-N	238.291	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)N(C)C[C@H]1C	2216200628	VTJCXGKTQLISTQ-RKDXNWHRSA-N	242.323	-0.822	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)n1	2216570086	SJFLZMXHTUSDQT-BRPSZJMVSA-N	234.064	-0.358	50	10	BBGE	
C[C@@](O)(CNc1ccc(B(O)O)cn1)C(F)F	2217174122	WFZNTZWMPULHAV-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
N[C@@H]1CC[C@H](Oc2nccc(B(O)O)c2F)C1	2217195402	JVDHKDLBMXNLNR-RQJHMYQMSA-N	240.043	-0.841	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2217199814	PEQCIQHBBZWMSN-BDAKNGLRSA-N	235.096	-0.574	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2ncccc2B(O)O)O1	2217202935	NHRHGLFPLWAELG-RKDXNWHRSA-N	236.080	-0.259	50	10	BBGE	
Cc1ncc(OCCOCCF)cc1B(O)O	2217427620	UQRYFEJRYJRILA-UHFFFAOYSA-N	243.043	-0.565	50	10	BBGE	
OC[C@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220067836	ALLXOVIQXZXCAJ-WCQYABFASA-N	247.103	-0.819	50	10	BBGE	
Cc1cc(C#N)ccc1C(=O)NCC#CB(O)O	2221671516	HWCLIDHOXRQNPI-UHFFFAOYSA-N	242.043	-0.388	50	10	BBGE	
CCO[C@H]1C=CCN(c2cc(B(O)O)ccn2)C1	2223630252	YOTBWXSDUDQWAA-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1COC[C@@H]1C1CC1	2223639107	PPBSQMYLGLCGGQ-MWLCHTKSSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCNC1	2223669415	JMTLTKWNEAQKRN-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CCC1	2241468858	VUVZOHPSHRQYEK-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@H](C)CCl	2242272124	AMVIQGPKCYMOOU-SSDOTTSWSA-N	219.668	-0.666	50	10	BBGE	
CC[C@@](C)(O)CNC(=O)C1(B(O)O)CCC1	2243348107	TXPMBFBJYSFUEX-SECBINFHSA-N	229.085	-0.339	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]21)C(=O)C#CB(O)O	2243349080	FRIJZACDOQSOGO-GUBZILKMSA-N	221.065	-0.494	50	10	BBGE	
C=C1CC(NC(=O)c2nscc2B(O)O)C1	2243350211	XMQYQWCZTNYTNZ-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C[C@@H]21	2243363507	HUUNOKLWQIOJAW-XPUUQOCRSA-N	221.021	-0.806	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](O)C1)C1(B(O)O)CC1	2243363790	MLTKAHHYOOPIOB-HTQZYQBOSA-N	227.069	-0.587	50	10	BBGE	
C[C@H]1COCCCN1C(=O)C1(B(O)O)CC1	2243364543	YTBBWPQCIFUKQE-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CCC1	2243366363	BASNYJPBXOMXAF-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1cccnn1	2243367883	ADVRZTKFKIWWMD-UHFFFAOYSA-N	221.025	-0.554	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1C[C@@H]1B(O)O	2243391936	PHLAFVDRGYAXRS-JBDRJPRFSA-N	227.069	-0.731	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccc(B(O)O)o1	2243398791	GYAAYWLSPPRNBV-PHDIDXHHSA-N	227.000	-0.953	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)C#CB(O)O)[C@@H]1C	2243401342	PPXJWOXRFWFNFV-BBBLOLIVSA-N	223.081	-0.057	50	10	BBGE	
CCCONC(=O)c1scc(B(O)O)c1C	2243404823	VCOCLCRVAVGERL-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1C[C@@H]1CC)B(O)O	2243432769	DHIGKJLWIGVKTG-DTWKUNHWSA-N	247.125	-0.480	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2243766901	FHUIBJNXNQGCDS-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)[C@H]1C[C@@H]1B(O)O	2244342810	BKYPBNHDZUANCY-NXRLNHOXSA-N	225.053	-0.857	50	10	BBGE	
C[C@H](O)CN(C1CCC1)[C@@H](C)CC(=O)NN	2244881015	BUHAVZDQKXIVOD-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1sncc1B(O)O	2245942162	VRIRYYQXPGOUEA-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
O=C(NCC1(O)CCCC1)C1(B(O)O)CCC1	2247734586	ILUQOCWKDMXFHI-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1ccc(B(O)O)o1	2247738670	UGGMUNMGBISOHL-MRVPVSSYSA-N	235.048	-0.368	50	10	BBGE	
CC1(c2cc(NC(=O)C#CB(O)O)on2)CC1	2247740773	PHPLXAZAZBDQKQ-UHFFFAOYSA-N	234.020	-0.320	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2247743649	HAEHJWDFDQTOBJ-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=C[C@@H]1CF	2247753692	JTDIKLPBKBBBKX-SSDOTTSWSA-N	239.011	-0.691	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)C1(B(O)O)CCC1	2247754629	GVODDFWHGKULFS-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CN(C)CCCCN(C)C(=O)C1(B(O)O)CC1	2247755453	JVCYANNFFBYTCE-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)CCN1	2247758945	YPDTXGRHCSJKRH-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)C1(B(O)O)CCC1	2247758978	YTTIITFVPVYOQQ-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247791623	NWSALMZFNYQOAX-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247796658	BSZKZKUEKMFCMZ-HORUIINNSA-N	241.096	-0.077	50	10	BBGE	
CCN(CCC(=O)OC)C(=O)[C@@H]1C[C@H]1B(O)O	2247798742	WVMFCUVMIWEQPF-HTQZYQBOSA-N	243.068	-0.739	50	10	BBGE	
CC1(C)CNCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247805007	ADJHRXNJHHJOQJ-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CN1CC[C@](C)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247807071	HDOGTWGMPGUESB-IQJOONFLSA-N	240.112	-0.693	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccn(C)n1	2247810178	VLYROKZKMHGUGK-BIIVOSGPSA-N	237.068	-0.540	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@H]2O	2247854559	FEOMOESCGJGZGB-GRDBIXFFSA-N	239.080	-0.779	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1cc(B(O)O)n[nH]1	2247854860	JJMZKKCNVQXAKM-JTQLQIEISA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1ccccc1B(O)O	2247869418	RDGNTOLCABVCMQ-SSDOTTSWSA-N	233.032	-0.873	50	10	BBGE	
CC(C)(CO)CCCNC(=O)C1(B(O)O)CC1	2247873746	FXCMWBPYRGWLJM-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
CCC[C@H](CC)NC(=O)c1cc(B(O)O)n[nH]1	2247884918	BMQIIHBZCUORIL-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CC1CC1)C1COC1	2247886965	IMFLPZSATNNKEB-NXEZZACHSA-N	239.080	-0.513	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](CN)C1CC1	2247896132	XILWAGFICNNZLS-GUBZILKMSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC[C@H]1O	2247900074	SPWUWNZMSHGATH-XSPKLOCKSA-N	241.096	-0.485	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903773	MOHUDZPXDFUYBW-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
CCC1(N)CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908789	ABOZPSMOZFGGRW-REMFIFCHSA-N	240.112	-0.375	50	10	BBGE	
O=C(CCc1ccccn1)NCC=CB(O)O	2248414144	FNPKMTSGEACPCT-UHFFFAOYSA-N	234.064	-0.301	50	10	BBGE	
Cc1cc(C)c(Cn2ccc(B(O)O)n2)cn1	2248435535	DVYKRRUTJDLZPU-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
CCCN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248588516	DKELLRSDFVBXHX-HTQZYQBOSA-N	243.068	-0.437	50	10	BBGE	
C=CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248589730	UGFINTXYHFAJRY-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1cocc1B(O)O	2249427865	AQRCEISGQHYDEY-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCCC#CB(O)O)CCO1	2250001776	BOEMZMAZPFAYLB-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
CN1CCN(C(=O)C(=O)NN)[C@@H](C(C)(C)C)C1	2251248305	KZYRZMJLACOYOC-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
CC1CN(C(=O)NCc2ccc(B(O)O)cc2)C1	2254069278	GIOPFWJIMRGRER-UHFFFAOYSA-N	248.091	-0.472	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2255452369	IAIVFUKFWGFYDN-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1occc1B(O)O	2255491561	YSAQNSUCBKMSPS-XHNCKOQMSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nc1ccc2nncn2c1)[C@@H]1C[C@H]1B(O)O	2255570952	KVVTTZLWABUHBW-HTQZYQBOSA-N	246.035	-0.469	50	10	BBGE	
O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)[C@@H]1C[C@H]1B(O)O	2255571345	OICLXVTYAXEHHK-BZNPZCIMSA-N	249.079	-0.365	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccncc2B(O)O)[C@@H]1C	2255690805	HTDBURIZLKTNKP-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)cn1C)C1CC=CC1	2255734498	BRVSBCBOSMDJLO-UHFFFAOYSA-N	248.091	-0.505	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3occc3B(O)O)C[C@H]12	2255737738	INVPGNMXOHTKHE-HRDYMLBCSA-N	249.075	-0.313	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1cocc1B(O)O	2258123175	LSXYGXDVRPJTJG-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
COc1cccc(C(=O)NCCC#CB(O)O)c1	2258963492	UGUGTIBCUSWXMA-UHFFFAOYSA-N	247.059	-0.170	50	10	BBGE	
C[C@H]1CC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371515	NFLLFDQRRRYNEX-YSSBGUOXSA-N	241.096	-0.483	50	10	BBGE	
COCC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1B(O)O	2298376709	KHCPBIHWXIEGQX-DJLDLDEBSA-N	245.084	-0.983	50	10	BBGE	
CCc1cnccc1Cn1ccc(B(O)O)n1	2301793538	CTLRCJIWQCMHDZ-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
CO[C@H]1CN(CC(B(O)O)=C(C)C)C[C@@H]1OC	2301854141	IDHHJZRSMNEWFN-QWRGUYRKSA-N	243.112	-0.320	50	10	BBGE	
CC(C)=C(CN1CCN(CCF)CC1)B(O)O	2301953625	RUMSCVDPCXZZIF-UHFFFAOYSA-N	244.119	-0.078	50	10	BBGE	
Cn1cc(CCN2CC[C@](C)(B(O)O)C2)nn1	2303135461	GEWZKKQSCBCQJO-JTQLQIEISA-N	238.100	-0.704	50	10	BBGE	
COC(C)(C)C1(CN(C)C(=O)C(=O)NN)CC1	2303726026	OLLDJHXTUUBQMK-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303848379	YLOQPZNSGLRAMT-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc(B(O)O)o1	2312848039	GYUGHAKIGVGTOW-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
CC[C@H](CN)COc1ccc(B(O)O)cc1C#N	2317210898	GNMSKSYFJZNYSQ-SECBINFHSA-N	248.091	-0.398	50	10	BBGE	
NNC(=O)c1nccn1-c1ccncc1	75848610	ICMBBCJAFQLDAQ-UHFFFAOYSA-N	203.205	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN2CCC[C@@H]2C1	82469361	VTUYFYUCACFSNB-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NN	82472596	LBUWANBNUWCCBY-BYPYZUCNSA-N	238.276	-0.177	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)c1c[nH]nn1	104647204	GMUKXBNNXOXNMU-BYPYZUCNSA-N	229.265	-0.683	50	10	BBGE	
COc1ccc(OCC(=O)NN)c([N+](=O)[O-])c1	110555776	KGOWNNNJZMZZRN-UHFFFAOYSA-N	241.203	-0.028	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2CCCC[C@@H]21	134831234	LLWGTMWLYFHISQ-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
CS(=O)(=O)CS(=O)(=O)NCCCCl	167572250	RKGKVMGAPKSHCT-UHFFFAOYSA-N	249.741	-0.463	50	10	BBGE	
Cc1c(C(=O)NNC(=O)CN(C)C)ccn1C	192684639	NKVKTRYRDQNSTP-UHFFFAOYSA-N	238.291	-0.344	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](C)C1	216469484	TUWNCGXKNWLAAB-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)[C@H]2CCO[C@@H]2C1(C)C	228935659	RXNGQEVZBUKOGK-DKCNOQQISA-N	227.308	-0.278	50	10	BBGE	
CCN(CC)c1ncc(B(O)O)c(C)n1	238226375	YYCCNIGBIFQKMN-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	238428330	YTYJVAWYZBLUFS-PHDIDXHHSA-N	233.268	-0.750	50	10	BBGE	
O=Cc1nccc(Br)c1B(O)O	238611960	QXBZGQXFXWTHMV-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN)[C@@H]1NC(N)=O	238803796	SZSMCVXQSJATAK-NGJCXOISSA-N	200.242	-0.941	50	10	BBGE	
N#CC(=NNc1cccc([N+](=O)[O-])c1)C(=O)NN	242688418	VPTLUSVGUIJHNJ-UHFFFAOYSA-N	248.202	-0.124	50	10	BBGE	
CC[C@H]1COCCN1[C@H](C)C(=O)NN	251901071	WVCDQWNAGQBESK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1O	306732453	MLMFNCPXIJKUKL-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](C)N=c1[nH]c(CCCl)nc(=N)[nH]1	381075489	PUTPSMXBPZWSNH-LURJTMIESA-N	245.714	-0.066	50	10	BBGE	
CCC[C@@](C)(O)C(CO)=NNC(N)=O	383918442	GTTUDVPHPUFRPU-MRVPVSSYSA-N	203.242	-0.446	50	10	BBGE	
C[C@@H](CO)CN=c1[nH]c(CCl)nc(=N)[nH]1	389640692	QGCODWRYGONKCH-RXMQYKEDSA-N	231.687	-0.515	50	10	BBGE	
COCCCCN(C)[C@@H](COC)C(=O)NN	397140932	XVZWNUUSAVZVCU-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C2COCC1COC2	399943946	VUWOKVGZVLMWNQ-RTBKNWGFSA-N	243.307	-0.900	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1cncn1C	401808031	ZNSFLTURAZYJFC-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CS(=O)(=O)Nc1ccc(Cl)c(B(O)O)c1	404985522	SKHXNHOINCEHED-UHFFFAOYSA-N	249.484	-0.609	50	10	BBGE	
CC(C)C(=O)NCc1ccccc1B(O)O	405069530	YVSQRZWMEFSPJB-UHFFFAOYSA-N	221.065	-0.361	50	10	BBGE	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1cnn[nH]1	491953411	KIGLJCWGDZNWLE-ARJAWSKDSA-N	246.230	-0.393	50	10	BBGE	
CC1(C)COCN1C(=O)c1ccc(B(O)O)cc1	584985613	OPTPDMNWGFAVLC-UHFFFAOYSA-N	249.075	-0.425	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)CC[C@@H]1C	687214276	ZHPPZRIXPPKXLN-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CC(=O)NCCC(=O)N1CCC(O)(C#N)CC1	692116210	XXTAVKUSGBLKKZ-UHFFFAOYSA-N	239.275	-0.610	50	10	BBGE	
OB(O)c1cnn(CCCC(F)F)c1	694562490	FCJJVZNVLSGGKG-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
NC(=O)NNC(=O)c1cc(=O)c2ccccc2[nH]1	700857625	HGLUCNKIEAXVEG-UHFFFAOYSA-N	246.226	-0.159	50	10	BBGE	
NC(=S)NNC(=O)c1ccc2nn[nH]c2c1	700869767	XRICQUJAPYOBOP-UHFFFAOYSA-N	236.260	-0.564	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC1(C)COC1	702969994	RGODGAHPXVCFAI-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
Cc1nc(C#N)n(CCC(=O)NN)c1C	704100328	GCWBFYPEFBWVAO-UHFFFAOYSA-N	207.237	-0.248	50	10	BBGE	
Cc1nc(O)nc(C)c1CC(=O)N(C)N	704705825	IVKYPLQXBHPQJZ-UHFFFAOYSA-N	210.237	-0.326	50	10	BBGE	
C#CC[C@@H](O)CNS(=O)(=O)CCCCl	717912491	JSRLMWPEZNONAV-MRVPVSSYSA-N	239.724	-0.081	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnc2n1CCC2	719369885	GNQBCSXBQIOIIX-UHFFFAOYSA-N	237.307	-0.359	50	10	BBGE	
CN1CC(=O)OB(CBr)OC(=O)C1	722136707	BBSOQJVHYVHRII-UHFFFAOYSA-N	249.857	-0.560	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]1OC	724137479	ILHGRNZQCIJYRJ-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
O=C(C=C1CCC1)NNC(=O)c1cnn[nH]1	755336457	XNOCGWRRYVVTQL-UHFFFAOYSA-N	221.220	-0.324	50	10	BBGE	
O=C(NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21)C1CC1	780321060	UXCVLZULTYBJKP-HLTSFMKQSA-N	224.260	-0.031	50	10	BBGE	
O=C(NNC(=O)c1cc(O)n[nH]1)c1ccc[nH]1	816824394	YEKYNTBDMLILCQ-UHFFFAOYSA-N	235.203	-0.482	50	10	BBGE	
Cn1nccc1CC(=O)NNC(=O)CC1CC1	819118503	WIVSGGWYNOXQIC-UHFFFAOYSA-N	236.275	-0.090	50	10	BBGE	
CCC/C=C/[C@@H](O)C(=O)NNC(=O)NC	900353478	VWHOGFKNODWHAX-WEWAHIQMSA-N	215.253	-0.336	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)Cc1ccccn1	900580017	SHQFSPLFOUEZQM-ODTOEKCJSA-N	249.270	-0.292	50	10	BBGE	
C=C(CO)C(=O)NNc1nnc(C)n1C	1118941267	BPBQLPSBHNGNFS-UHFFFAOYSA-N	211.225	-0.885	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1cnn[nH]1	1144480455	URUDKHBMNLBYGD-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CCn1cc(CC(=O)NNc2nc[nH]n2)nn1	1183624850	SCXDKMLUJSAWGI-UHFFFAOYSA-N	236.239	-0.898	50	10	BBGE	
CN1CC[C@@H](NS(=O)(=O)CCl)CC1=O	1260935867	ALTCJEBIHRERIB-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
CC(=O)NNC(=O)Cc1nc(C2CC2)nn1C	1290392327	VELLWOHJZYMWTC-UHFFFAOYSA-N	237.263	-0.598	50	10	BBGE	
CCN(CCO)NC(=O)c1ccc([N+](=O)[O-])[nH]1	1643677399	FVEOLFZSNKAGBR-UHFFFAOYSA-N	242.235	-0.118	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@H](O)C1	1882906041	DAFRFVZQZJDNOJ-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
NOCCS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883567084	MOESGRIFLNVFIW-NTSWFWBYSA-N	228.701	-0.577	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1883635239	UQELBWSJHNYITJ-WDCZJNDASA-N	204.613	-0.840	50	10	BBGE	
O=C(NN1CCNCC1)[C@H]1C[C@@H]1Cl	1883646111	VXERPXYFDVXXIO-BQBZGAKWSA-N	203.673	-0.450	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)[C@H]1C[C@@H]1Cl	1883646124	VXVIMHBILMPNQM-VQVTYTSYSA-N	206.673	-0.608	50	10	BBGE	
CO[C@H]1CN(C(=O)NN)CC(F)(F)C1	1886549826	LIGGXXXQVJKVLX-RXMQYKEDSA-N	209.196	-0.074	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CS1	1887963438	WMBTYMMCACOHLL-RITPCOANSA-N	217.294	-0.671	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CO)[C@H]1C[C@H]1Cl	1893462524	ZBQAUNLIMWQDHG-RULNZFCNSA-N	219.668	-0.263	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)[C@H]1C[C@@H]1Cl	1893474814	NIFAMYTVLJWGGC-ZKWXMUAHSA-N	221.684	-0.137	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1C[C@@H]2CO	1895228981	JEBIUMCDXWREMY-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@@H](F)C1	1900260614	SLEZELABBQMCII-HRDYMLBCSA-N	231.271	-0.717	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCCO	1901201937	GDTATKAXKURKON-UHFFFAOYSA-N	220.037	-0.968	50	10	BBGE	
Cc1cc(OC[C@H]2CCO2)ccc1B(O)O	1901307744	VXAQWGSYPJJLHK-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H]1C[C@H](O)CN1	1901997559	NDBZZWUEHRNQIV-VHSXEESVSA-N	229.324	-0.138	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3CC[C@H]3C2)n1	1902637255	JPCZYSQBOXUHIM-OCAPTIKFSA-N	238.121	-0.335	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CC[C@H]1C(F)(F)C2	1905197476	AVLNJIORWBRUES-WDSKDSINSA-N	233.218	-0.378	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)N1CCC[C@@H]1CO	1905584450	PGUNTSJSDJGKAJ-RKDXNWHRSA-N	242.084	-0.888	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1906338490	DGITUNDYRORIRG-JLLWLGSASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1908363435	CMMJHLICTGBLJR-YIZRAAEISA-N	242.323	-0.802	50	10	BBGE	
CS(C)(=O)=NCc1csc(C(=O)NN)n1	1913514648	QXJRYHHPVBXFIT-UHFFFAOYSA-N	248.333	-0.026	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2C[C@H]2C1	1928181622	OXPPTBVPFAMEGQ-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)Cn1ccnn1	1928690179	HIPPTRBIHHQBFP-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
C[C@@H](N)CSC[C@H]1C[C@H]1C(=O)NN	1931384718	HINZCBDMXMHQJJ-FSDSQADBSA-N	203.311	-0.307	50	10	BBGE	
Cn1nnc(C(=O)NNC(N)=O)c1C(F)F	1936033795	KWLYEUSKLQJHBH-UHFFFAOYSA-N	234.166	-0.934	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936087374	BITGWTTWAUZWNF-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@H]1C1CC1	1936113591	SKLWMAQBLLBGNE-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
CN(CC1[C@H]2CCCC[C@H]12)C(=O)C(=O)NN	1937645306	YFFXFVFRMZBXRT-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CC1(O)CCN(CC2(C(=O)NN)CC2)CC1	1938246228	FZOFXITWLANBMS-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CCN(CC(C)(C)O)CC1(C(=O)NN)CC1	1938248070	ABWVNJHMTMXKOL-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CN(C)C(=O)[C@H]1CCCN(CCC(=O)NN)C1	1940301559	AYASZXLYUIGMBC-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@H]2COC[C@@H]21	1940444401	YPQIXKRUNBDKBY-SRQGCSHVSA-N	237.255	-0.062	50	10	BBGE	
CON(C)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	1941106441	FPAFZYYCBYLSKY-VIFPVBQESA-N	244.339	-0.432	50	10	BBGE	
Cn1nccc1COc1ccccc1B(O)O	1945468996	YUATZTODORAVQD-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1OC	1945883687	DIJZKZFEZSSQCX-DTORHVGOSA-N	243.307	-0.898	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H](CO)C1	1948807613	SCBPDEKDCVDHNI-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H]([C@@H]1CC(=O)OC1=O)S(C)(=O)=O	1951529907	ZYYPLYRHJUXKSN-UHNVWZDZSA-N	206.219	-0.491	50	10	BBGE	
CC(CO)(CO)[C@H](O)CBr	1952131658	HSVQQOCWHUKFFQ-RXMQYKEDSA-N	213.071	-0.267	50	10	BBGE	
C#CCN1CCN(C[C@@H](O)CCl)CC1	1956256182	KNQCZALDPCFXLM-JTQLQIEISA-N	216.712	-0.163	50	10	BBGE	
OB(O)c1ccn([C@@H]2CC[C@H]3C[C@H]3C2)n1	1957524212	KHZQBAFGAVNCLP-XHNCKOQMSA-N	206.054	-0.076	50	10	BBGE	
ClCc1nnnn1[C@@H]1CO[C@@H]2COC[C@H]21	1958079312	KJCSWZRRFNUMSD-RRKCRQDMSA-N	230.655	-0.002	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1CCC(=O)NN	1961683257	GSPXCWJFQMZTDE-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CN(CC(F)F)c1ccc(B(O)O)cn1	1961691076	MIMKXYFPRUANEP-UHFFFAOYSA-N	215.996	-0.537	50	10	BBGE	
CN(C)CCO[C@@H](C(=O)NN)C(C)(C)C	1974649507	XDJCLUJBZJOAQF-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(C[C@@H](O)CCl)C[C@H]21	1975037006	LWJUGJKEWTVMQW-XFWSIPNHSA-N	235.711	-0.475	50	10	BBGE	
CN(C)C1(C)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1976833378	PBYZPFRJAJUYDQ-RKDXNWHRSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)CCN1CCS[C@H]2COCC[C@@H]21	1980828146	LEANSZAEDGNVFB-IUCAKERBSA-N	245.348	-0.427	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@@]3(O)C2)CC1	1980982402	OBBROKWQNITAKT-LDYMZIIASA-N	225.292	-0.787	50	10	BBGE	
CCN(CC(F)F)c1ncncc1B(O)O	1981413256	DMAFASDDURASDM-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)C[C@H]1C	1981413605	IRCFPEOJIFOWSS-HTQZYQBOSA-N	221.069	-0.751	50	10	BBGE	
C[C@@H](CC1CC1)Oc1ncncc1B(O)O	1981423306	BTJDWMTULHXIAY-ZETCQYMHSA-N	222.053	-0.276	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)CCOC1	1981429073	ACLVKDSZGUWRQU-SNVBAGLBSA-N	223.037	-0.681	50	10	BBGE	
O=C(NC1CC(Cl)C1)C(=O)N1CCNCC1	1983212295	XJOWVUSNVISZFS-UHFFFAOYSA-N	245.710	-0.696	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H](C)OC	1984686796	KCOOSZAUJOHLRY-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H]2CF)n1	1986090151	XZSNDNOEXUFDDF-LURJTMIESA-N	228.227	-0.178	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2Cl)C1	1991676802	DFJKORKBZBTCOZ-PJKMHFRUSA-N	246.694	-0.548	50	10	BBGE	
Cn1[nH]c(CCN)nc1=NC(=O)[C@H]1C[C@H]1Cl	1991685961	NTZGXPQFZIQCBG-NTSWFWBYSA-N	243.698	-0.696	50	10	BBGE	
C=C(CN(C)[C@@H]1CCCN(CC)C1)B(O)O	1992153315	NJYMIFODNILTAA-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
OB(O)c1cncnc1OCc1ccsc1	1993493703	ODUKYFZSDJBMFS-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
NNC(=O)[C@]12CO[C@](Cn3ccnc3)(C1)C2	1993888873	JQMOCKWEAVEMMC-MGCOHNPYSA-N	222.248	-0.578	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCn1cccn1	2003823962	CKHKKLZYLFWKOB-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN1CCCC1=O	2004257936	TZGSNSIGHJHUQF-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CCCN(CCCC(=O)NN)[C@@H]1CCNC1=O	2004312945	FKQOTESTRABWEF-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CCC[C@@H]1CCCN1c1ncc(B(O)O)cn1	2004911872	LYWBWNYCNFKOHS-SNVBAGLBSA-N	235.096	-0.075	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@H](C)COC	2004935934	SAEJNACSYCBXSP-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]([C@@H](C)O)C1	2005913308	QAHDDAAQSSKQJJ-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](COC[C@H]1CC[C@@H](C(=O)NN)O1)N(C)C	2007003515	LYVVALQZCPJODW-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CCN(CC1(O)CCC1)[C@H](COC)C(=O)NN	2010573138	QIEOVOTVQDPPSB-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@](C)(CCO)C1	2014781371	QNKNKYDJJKIPNV-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(c2ccn(C)n2)C1	2019133525	LVWTWBNOOVKSOZ-MRVPVSSYSA-N	237.307	-0.412	50	10	BBGE	
COC[C@H]1C=CCCN1CC(=O)NNC(C)=O	2019208417	HYFKIXGENYKGIY-SNVBAGLBSA-N	241.291	-0.569	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020068461	RNYMNCVRWRMHFJ-SZEHBUNVSA-N	239.080	-0.372	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021435523	KHVVFGMYBBKNDH-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(CCOCC(=O)NN)C1	2025523555	YRMFFPUPNKMABF-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)cc1[N+](=O)[O-]	2060140888	HCSSWHXACPVCHT-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(C#N)c1B(O)O	2060211364	AODLTJCWBYSEMW-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@@H]1[C@H]2COC[C@H]21	2068626697	HUSDHGIUFUTDGC-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
O=C(O)[C@@]1(C[C@@H](O)CCl)C=CCN1	2209323563	YBCWVBNAVAFPTE-SVRRBLITSA-N	205.641	-0.041	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NN	2210732218	YOJXUHIWVIABKU-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccccc1=O	2211839689	XYLFUAHVVBYJQH-BDAKNGLRSA-N	221.260	-0.136	50	10	BBGE	
CN(CCCCO)CC1(C(=O)NN)CCC1	2212266401	NQCHONLQFKMGQN-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
OB(O)c1cccnc1OC1C[C@@H]2C[C@H]2C1	2212294040	OUFVWCOZTDQBCV-YUMQZZPRSA-N	219.049	-0.061	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]2CF)c1	2212610766	OPDYVOYDERQCPR-HTQZYQBOSA-N	224.044	-0.221	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1cc(B(O)O)ccn1	2212614412	CSQANQNGKPZFIN-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@@]1(C)COCCO1	2216071546	DBWXLCQTBZKIRM-GXSJLCMTSA-N	246.307	-0.033	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)[C@@H]2C[C@H]21	2216533852	HKMQTRABZZYQCU-NXEZZACHSA-N	238.335	-0.465	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12COC[C@@H]1C2	2217176758	AAJKMDBFJMEXPK-KWQFWETISA-N	234.064	-0.790	50	10	BBGE	
Cc1cnc(O[C@H](C)C2CNC2)cc1B(O)O	2217183813	OIYKMTGYOHNYLB-MRVPVSSYSA-N	236.080	-0.943	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)C1(N)CC1	2217187885	GMXQYYUVKMWWPA-LURJTMIESA-N	240.043	-0.841	50	10	BBGE	
C[C@H]1NCC[C@@H]1COc1cc(B(O)O)ccn1	2217194301	UOZUCNAJUSFOED-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
CC(C)[C@H](CO)CNc1cc(B(O)O)ccn1	2217198251	YRSBJKOKTJZKLX-VIFPVBQESA-N	238.096	-0.562	50	10	BBGE	
CCN1CC(CN(C)c2cc(B(O)O)ccn2)C1	2223627649	MRCNSJFAZRRISW-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
CC(C)(N)[C@H]1CCN(c2ncccc2B(O)O)C1	2223627673	MUXGGIBUJLMSBZ-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1Nc1ncccc1B(O)O	2223627745	NVGGNXMJKOCZFD-WDEREUQCSA-N	249.123	-0.440	50	10	BBGE	
C=CC1(O)CCN(c2ccc(B(O)O)cn2)CC1	2223652912	NBEFSIZZXUZXJN-UHFFFAOYSA-N	248.091	-0.721	50	10	BBGE	
CCO[C@H]1C=CCN(c2ccc(B(O)O)cn2)C1	2223653465	RSGGVYYLGDOHJB-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
Cc1cnc(N2C[C@H](C)C[C@@H](N)C2)cc1B(O)O	2223653710	UNXJAFHDNGFRDS-PSASIEDQSA-N	249.123	-0.757	50	10	BBGE	
C[C@H](F)CNC(=O)C1CC(B(O)O)C1	2241495663	LHRLRRJUYNZUMK-VTSJMVTISA-N	203.022	-0.286	50	10	BBGE	
CO[C@@H](CCl)CN=c1nc[nH]n1C	2242440058	MGXHYIQPQVFVJW-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
Cn1c(O)cc(=O)n(CCOCCCl)c1=O	2243060456	ZVPFRVCMJDWSNX-UHFFFAOYSA-N	248.666	-0.492	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc(F)c1	2243357229	TVYBUNNBWDIYBS-UHFFFAOYSA-N	220.996	-0.543	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccsc1B(O)O	2243358388	GGGMPGVXTOWROS-ZETCQYMHSA-N	235.073	-0.724	50	10	BBGE	
C[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243383274	WOMRJQRFZXYBNE-BGZDPUMWSA-N	227.069	-0.610	50	10	BBGE	
COC1CC(N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2243393019	ZMXAHXRMBAOBCZ-ABIFROTESA-N	227.069	-0.515	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)o1	2243398684	GUTHPLZMTCIZQE-KPCSLPGQSA-N	221.021	-0.902	50	10	BBGE	
CCC(C)(C)OCCNC(=O)C#CB(O)O	2243399829	QZPGLIQMQLWXJV-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
CC1(C)C[C@@H](N)CN1C(=O)C1(B(O)O)CC1	2243410412	BFMBAGWICZCKFH-SSDOTTSWSA-N	226.085	-0.668	50	10	BBGE	
C=CC1(NC(=O)C2(B(O)O)CCC2)CNC1	2243411033	MPSRMWWNCLALGF-UHFFFAOYSA-N	224.069	-0.972	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]1C(C)C)B(O)O	2243433223	JQFHDDKVWNDXGQ-VIFPVBQESA-N	247.125	-0.385	50	10	BBGE	
O=C(NCC=C(F)F)c1cc(B(O)O)sn1	2243770855	FOANRFFWMJMVSP-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)[C@@H](O)CC1	2243779838	PHGSPGOYLTVUAP-HIQWKFPQSA-N	247.678	-0.348	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@H]2C[C@H]21	2244549503	DRPLTBCIIHCUFO-IVZWLZJFSA-N	221.065	-0.446	50	10	BBGE	
NC(=S)NNC(=O)c1nnn2ccccc12	2245237481	UDRNMQURCGLGCM-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
O=C(NCC=CCl)c1ccncc1B(O)O	2246226403	KHLIYENOTQZHCC-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
CC1(C)C[C@@H](O)CCN(C(=O)C#CB(O)O)C1	2247737796	KAVIWFXFQJHSHP-VIFPVBQESA-N	239.080	-0.989	50	10	BBGE	
C[C@@H](c1ccccn1)N(C)C(=O)C#CB(O)O	2247743878	KWJWNPHAWIYVKQ-VIFPVBQESA-N	232.048	-0.384	50	10	BBGE	
CCn1cc(C(=O)NC(C)(C)C)nc1B(O)O	2247745823	PMXQPINBBJXIMU-UHFFFAOYSA-N	239.084	-0.889	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747036	IGJDYZGPLOISDP-MRVPVSSYSA-N	236.080	-0.221	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1[C@H](CO)C2)C1(B(O)O)CC1	2247751642	ZVCCBGFUJJULNW-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
CCCN(O)C(=O)c1nc(C)ccc1B(O)O	2247753632	IKBIFSRJKZXFQO-UHFFFAOYSA-N	238.052	-0.689	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccc(B(O)O)cn1	2247769005	BZTRJWVCYIKPSN-UHFFFAOYSA-N	244.006	-0.902	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785021	FAAZFIJAOQTNPP-GMSGAONNSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1CNCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790022	FDGDHRULOLANTF-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
CC[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2247796728	CCOXAUSHGNCLIH-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCOC2)C1CC(B(O)O)C1	2247798132	QIOLVPACKNQTBX-RSWAIMACSA-N	239.080	-0.465	50	10	BBGE	
CC(C)N(C)CCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247800029	KNOAJVQVVZESEF-NXEZZACHSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COCC[C@H]21	2247800563	QFLMZCDNMHXKAA-AATLWQCWSA-N	239.080	-0.513	50	10	BBGE	
CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@H]1B(O)O	2247805961	LOGSTZCSMMWXCW-DTWKUNHWSA-N	237.068	-0.759	50	10	BBGE	
NC[C@]1(F)C[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247809500	PTEDXTRNAFXAGH-AZQAYCESSA-N	244.075	-0.958	50	10	BBGE	
COC(=O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2247860506	XNRZOEZCRMCDQW-YUMQZZPRSA-N	243.068	-0.741	50	10	BBGE	
Cc1cccc(C(=O)NCCCF)c1B(O)O	2247872894	AEFQOQBUWPOBRO-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1C(=O)C1(B(O)O)CCC1	2247875532	XOJVKEVUHMOFFZ-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1occc1B(O)O	2247875590	YUGUMAWAHPGUBA-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CC(C)(C)NC(=O)c1ncc(B(O)O)cc1F	2247877530	BPKLZFYAWLYMQQ-UHFFFAOYSA-N	240.043	-0.571	50	10	BBGE	
O=C(N1C[C@@H](O)CC2(CC2)C1)C1(B(O)O)CC1	2247877771	JZGDNBHDPAELPP-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2B(O)O)C1	2247893632	VURMNFHNUKXMMZ-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
CC[C@H](CCNC(=O)C1(B(O)O)CC1)C(=O)O	2248587764	UMHSYRAADSQOOC-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
CC[C@@H](CCCC(=O)O)NC(=O)C#CB(O)O	2248589295	OLABVLDFSMVHNG-QMMMGPOBSA-N	241.052	-0.849	50	10	BBGE	
CON(CC1CC1)c1ncc(B(O)O)cc1C	2251018432	NDLAFPPVVYQXSK-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
Cc1cc(CNC(=O)C2CC2)ccc1B(O)O	2251313715	VVGOIABHZLYHPB-UHFFFAOYSA-N	233.076	-0.299	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ccncc2B(O)O)C1	2255457302	ALJUDFBKMFKXHD-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC2CC1C2	2255508793	DFKONVKKQIGVFP-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2255522310	IDVSMMBUKKOKCT-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1Cc2ccccc2CN1	2255582702	IHGIFVUJCUQBKY-WDEREUQCSA-N	246.075	-0.104	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	2255678157	AHBRPZZVAJQHSC-IEBDPFPHSA-N	249.075	-0.924	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(C)cc1B(O)O	2255736018	FQOSNMMGSMVKOM-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
Cc1ccc(C(=O)N2C(=O)C[C@@H]2C)c(B(O)O)c1	2255736023	FSUGGAUOUYBFEA-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
Cc1cc(C)c(C(=O)NCCC#CB(O)O)cn1	2258960181	BMZJORZRUNOTBW-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371157	BDFLEZICUNMQPK-IWSPIJDZSA-N	240.112	-0.422	50	10	BBGE	
C#CCN(c1cc(B(O)O)c(F)cn1)C1CC1	2303849802	MXUWUHVYBKRCBQ-UHFFFAOYSA-N	234.039	-0.498	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cc2C#N)CCOC1	2317150163	BNDFLIMRDDEPBL-LBPRGKRZSA-N	247.059	-0.204	50	10	BBGE	
C[C@H](CCCO)Nc1ccc(B(O)O)cc1C#N	2317166042	QWJKXQINJSUNNJ-SECBINFHSA-N	248.091	-0.189	50	10	BBGE	
C=C[C@]12C[C@H](CCN1c1ncc(B(O)O)cn1)C2	2326921025	HKMQNIMNLPKTAZ-WVSHTKLVSA-N	245.091	-0.299	50	10	BBGE	
CO[C@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](O)[C@@H]1O	5063594	VPDVIMQPZYMQKN-XUVCUMPTSA-N	231.075	-0.074	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)C(N)=O)c1	5942900	PNJVWZNWSSQYEX-UHFFFAOYSA-N	221.216	-0.759	50	10	BBGE	
CNCCN(C)S(=O)(=O)CCl	69803364	GSLNJJCQQSDAIV-UHFFFAOYSA-N	200.691	-0.336	50	10	BBGE	
CNCCN(C)[C@@H](C(=O)NN)c1ccccc1	70303781	VCTJPXSDBBUJAF-LLVKDONJSA-N	236.319	-0.131	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@@H](C)S1	70559593	NHLKIWDJFKCPKB-KNVOCYPGSA-N	203.311	-0.198	50	10	BBGE	
CC[C@@H](OC[C@@H]1CCOC1)C(=O)NN	82465620	DRSWLXHUGNMRRU-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C(=O)NN)C(C)C	82470130	FJWHYGNCQGINNU-SECBINFHSA-N	230.312	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	86190420	OHNPRCSRKMVDQM-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@H](C#N)C1	86656749	LUQYBHYLCHBJET-DTWKUNHWSA-N	226.280	-0.631	50	10	BBGE	
CC(C)(CSC[C@H](O)CO)C(=O)NN	86661873	QZJOGUYYOUMNFN-ZCFIWIBFSA-N	222.310	-0.911	50	10	BBGE	
NNC(=O)CCCCCN1CCCNC(=O)C1	87885649	VIVQKAWORMEDOZ-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
N#CCN(CC#N)Cc1ccoc1C(=O)NN	104121296	NZPMBDGMIFHOMB-UHFFFAOYSA-N	233.231	-0.268	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@H](N)C1	113179073	TVQFYDIUHWVVQO-JTQLQIEISA-N	234.303	-0.177	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC[S@@](C)=O	135300157	KWIQWQWZZXOHLA-UWORMDEDSA-N	240.712	-0.182	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@H](C)N1C	164716585	ZTBOSVCPWXBTIE-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H]1COCCN1Cc1ccccc1B(O)O	199009003	DFZLCJSAKPODPC-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cnn(-c2ccc(F)c(F)c2)c1	203615241	UPJZCDHYZPGZAG-UHFFFAOYSA-N	223.975	-0.170	50	10	BBGE	
CCO[C@@H]1C[C@H](NC(=O)C(=O)NN)C1(C)C	233757872	GMCZELDMTUHLTA-NKWVEPMBSA-N	229.280	-0.704	50	10	BBGE	
CC[C@H](C)[C@@H](N)C(=O)NNCC(=O)OC	238295138	KMBCOMXXNIJREG-POYBYMJQSA-N	217.269	-0.846	50	10	BBGE	
CCNC(=O)C(=O)NN=Cc1ccco1	252597732	CUMCUQUYGLMGNY-UHFFFAOYSA-N	209.205	-0.134	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2c(c1)CC(=O)N2	259078933	ZDWPKJFIJSQSHK-SECBINFHSA-N	220.232	-0.829	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1CN(C)C	300019078	IMYNDSVDYLZWIB-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CS[C@@H]1CCCN(CC(=O)NN)C1	307245474	WCLKRUZJASNFIV-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
O=C(CNCCO)NNc1ccccn1	308920841	IUEFRQWEMSFCJZ-UHFFFAOYSA-N	210.237	-0.893	50	10	BBGE	
COC[C@@H](OCCCSC)C(=O)NN	382782412	GDPKFQTYTOTHLM-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
CCC1(O)CN(CCCCC(=O)NN)C1	384139668	MZGLCLBIYDZFET-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(CCCCC(=O)NN)C[C@@H]21	384737794	KVOYMNJCBDEYJB-IAZYJMLFSA-N	240.351	-0.362	50	10	BBGE	
N#Cc1nccn1Cc1ncccc1C(=O)NN	385318409	ICBZNKXDMLLINB-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]1CO2)C(=O)NN	387661549	XXVFFDMEKUFQKK-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)CC(=O)N1	395803790	HHMNHEYSRDUMKC-VXNVDRBHSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(B(O)O)ccc1O	396026017	VMXBOFAVCWWFJK-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
O=C(O)CCc1cccc([N+](=O)[O-])c1B(O)O	396059769	YPILXNBXQOUPQE-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1C(=O)O	396132866	MPEZOSGMGVZPFT-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
CC(=O)Cc1ccc(/C=C\C(=O)O)cc1B(O)O	396137229	LASCQKRIPCUSOB-HYXAFXHYSA-N	248.043	-0.404	50	10	BBGE	
Nc1cc2c(C=O)cc(B(O)O)cc2s1	396259305	SASQTCXFFDWCMC-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc(B(O)O)c2cc(O)sc2c1	396379649	QDGBOONQYGUJRD-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1csc2c(B(O)O)cc(O)cc12	396390113	XDEMHPHDLYDJIK-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[S@](=O)CCN[C@@H]1COC[C@H]1Cl	400645411	QRTBOOWYXPWKLS-QHMRUWFYSA-N	211.714	-0.039	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccco1	404930354	CSLQSODZYLLBKM-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccccn1	404980614	IGYOLNXVBOWGPJ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
COC(=O)N(C)Cc1ccccc1B(O)O	405158460	ZGXNJGVBALGYBY-UHFFFAOYSA-N	223.037	-0.435	50	10	BBGE	
CN[C@H]1C[C@@H](C(=O)N2CCC(O)(C#N)CC2)C1	693544573	MWYJYRWLZHIZNV-AOOOYVTPSA-N	237.303	-0.139	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CCO[C@]2(C(=O)O)C1	704992563	DQVVWDUUFBUGNP-OIBJUYFYSA-N	243.263	-0.652	50	10	BBGE	
Cn1nnnc1CN[C@@H]1CCOC[C@@H]1Cl	706757170	ZHCRVKBNGOGOLO-NKWVEPMBSA-N	231.687	-0.304	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCNC(=O)C[C@H]1C	707176700	UYAFNWGIQRSAFW-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CC(C)NC(=O)N1CCc2cc(B(O)O)ccc21	712146116	JKQIJNSYQXUSHZ-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1	718524835	HOEYXLGHMVVELZ-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
Cc1ncsc1C(=O)NNC(=O)[C@@H](C)O	786902941	OWUCBTXCTZPUSP-RXMQYKEDSA-N	229.261	-0.407	50	10	BBGE	
C[C@@H]1CC(=O)N(CCC(=O)NN)C[C@@H](C)O1	829144883	WOWXKADNVMWLRD-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C1(F)CC1	843864282	JYZQPQBFABAHPG-UHFFFAOYSA-N	204.201	-0.593	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1NNC(=O)N1C	953028895	YAVZULHOAHYUDN-RFZPGFLSSA-N	220.660	-0.784	50	10	BBGE	
CC(=O)NNC(=O)C1(O)CCSCC1	1440723890	SZUCPMXMOSDICO-UHFFFAOYSA-N	218.278	-0.588	50	10	BBGE	
CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1N	1540576652	XLHYEMPHYSWIHD-UHFFFAOYSA-N	238.203	-0.042	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@H]2C#N)n[nH]1	1570718717	BOSFWOLMUCYFIT-VXNVDRBHSA-N	247.258	-0.432	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCCC1	1623626831	AHEAHKJISODPPJ-SFYZADRCSA-N	239.275	-0.555	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)Cc2nc[nH]n2)n1	1624928871	GKBFXCGCUPSNSV-UHFFFAOYSA-N	247.262	-0.103	50	10	BBGE	
CNC(=O)NNC(=O)CCCCCO	1626581916	IKZNCZIPPAGUOF-UHFFFAOYSA-N	203.242	-0.501	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)[C@H]1CCCCO1	1628547784	LBJANIXHXYSGHB-HTQZYQBOSA-N	225.248	-0.137	50	10	BBGE	
Cn1cc(C(=O)C(=O)NNc2ccn(C)n2)cn1	1648762942	REJFAZIXRHFEPP-UHFFFAOYSA-N	248.246	-0.520	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	1652658811	GBJQPJZLBCWPBO-VIFPVBQESA-N	243.307	-0.490	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@@H](N)CCC(=O)O	1866016831	FMBNMGAFFGLSAY-RITPCOANSA-N	222.672	-0.078	50	10	BBGE	
OC[C@@H](O)CNC[C@@H]1C[C@H]1Br	1877375414	LCKIXRDYOJGBJN-LYFYHCNISA-N	224.098	-0.287	50	10	BBGE	
NC(=O)COCCNC[C@@H]1C[C@@H]1Cl	1883567310	OIWDCSJZBPEGHV-BQBZGAKWSA-N	206.673	-0.295	50	10	BBGE	
CNCCCSC[C@H]1C[C@@H]1C(=O)NN	1891104607	GQVUIAYAKXFXDR-SFYZADRCSA-N	217.338	-0.045	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCNC[C@H]1CO	1893453130	KVMXIAWCTVKLKI-RNJXMRFFSA-N	218.684	-0.594	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H]2C[C@@H]2CO)[nH]1	1895232906	XSRMMTIHQOANPU-NTSWFWBYSA-N	243.698	-0.515	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCOC1=O	1900501932	PCJQTFSYRVOPEC-JGVFFNPUSA-N	227.264	-0.155	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCSC[C@H](O)CO	1900527767	PECRFZYKTRSJLT-IWSPIJDZSA-N	248.348	-0.521	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCC[C@H]1N	1901344898	XZVQGXMBTXITQG-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CCCN1	1901377702	RSSYSFXMOUSZKH-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
COC[C@@](C)(CN1CC[C@H](B(O)O)C1)OC	1902505375	HJEMKMZQGSVYBC-VHSXEESVSA-N	231.101	-0.413	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Nc1cc(B(O)O)c(F)cn1	1903005923	MTAFZGLRIPPXKX-KJXVDCTPSA-N	224.044	-0.033	50	10	BBGE	
CN(CCOCC(=O)NN)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1906598169	IJSTXJJUWWJNDH-ZYUZMQFOSA-N	239.319	-0.421	50	10	BBGE	
N#CC(=Cc1ccc(C(=O)O)[nH]1)S(N)(=O)=O	1911635289	YYZVXDDRNSPUKT-UHFFFAOYSA-N	241.228	-0.134	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1914256006	NWYMSYDNOAUFNW-RBXMUDONSA-N	213.281	-0.933	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CC(OC)C1	1914814439	OTMAKMRTOADOMW-HACHORDNSA-N	215.297	-0.136	50	10	BBGE	
COCC1CN(Cc2ccc(C(=O)NN)o2)C1	1916281092	HTWJWGUJLJVLOT-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@@H]2C[C@@H]2C1	1917456705	OZOLLMKNQDBKSB-RNJXMRFFSA-N	211.265	-0.471	50	10	BBGE	
Cn1ncc(C(=O)NNC(=O)C(F)(F)F)n1	1923404915	UTZUEMNDWYGTKP-UHFFFAOYSA-N	237.141	-0.862	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1927913514	JYDFBXMDIFOGOR-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
C[C@]1(OCCNC(=O)NN)CCOC1	1928485118	MLXVCLMQMAEUJC-QMMMGPOBSA-N	203.242	-0.645	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOCC1(C)C	1929909891	UWIYDQMSDDDIIF-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC1(C)C[C@H](O)CN1CCCC(=O)NN	1934003944	JQWKUQYHRYUJRQ-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](C)COC	1936094019	JPJLRPOEZHDNJR-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CC(C)OCCN(C)C[C@H]1C[C@H]1C(=O)NN	1936094716	PKRDQLIZDQEHLL-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
COC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936095141	UHPQIZUPWHGHDY-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1C1CCC1	1936217871	YNIYMFMWPOASMJ-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1COC[C@H](C)N1CCOCC(=O)NN	1936532166	VSAZIFQRFLOSFN-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@@]2(CCl)C1	1937159105	DIADUWNEOYURFP-VXNVDRBHSA-N	241.682	-0.240	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1937462593	KZEXMYASGGLZJO-LPEHRKFASA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1[C@H]2CS(=O)(=O)C[C@H]12	1957281407	QXCBSPOLVPASOG-SRQIZXRXSA-N	237.708	-0.227	50	10	BBGE	
C[C@H](CN1CC(=O)OC(=O)C1)N1CCC1	1958397605	IFRQHIKRCIEODT-MRVPVSSYSA-N	212.249	-0.534	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1[C@H](C(=O)O)C1(C)C	1958817299	PWPVCUHBQWGCKE-PHDIDXHHSA-N	215.253	-0.129	50	10	BBGE	
NNC(=O)N1CCC[C@H](n2cncn2)C1	1961453416	WQSRZJKMFULSTN-ZETCQYMHSA-N	210.241	-0.502	50	10	BBGE	
CNC(=O)N[C@H](C)c1cc(B(O)O)cs1	1974924552	YKUGJRILAATYHU-RXMQYKEDSA-N	228.082	-0.582	50	10	BBGE	
Cn1nnnc1CNCC[C@@H]1COC[C@@H]1Cl	1979873789	AUXVRLVWSUUCKZ-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)c1cccnc1	1980914258	OERQLACMKMIJOZ-SECBINFHSA-N	224.264	-0.477	50	10	BBGE	
CCC(CC)N(C)c1ncncc1B(O)O	1981413676	JMGYXSNKYONJCI-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H]1C	1981421984	ICROLQLPHGWKMX-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
CC(C)(C)CCOc1ncncc1B(O)O	1981422824	UOBZWCRZBUMBMN-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ncccc1B(O)O	1981424436	SXIBIIXSJITHSV-DTWKUNHWSA-N	220.081	-0.146	50	10	BBGE	
COC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1C	1982501390	ZRBXGEIKWXQPAV-AEJSXWLSSA-N	229.324	-0.173	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(F)(F)C1=O	1985702730	OZQJBOMHTJQGCX-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
CCCc1[nH]nc(C(=O)NNC(C)=O)c1N	1989354610	RULCFNJEQJVWDH-UHFFFAOYSA-N	225.252	-0.275	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1990772459	JZGRBJZTBSPIQR-AXTSPUMRSA-N	223.276	-0.506	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC(O)(CO)CC1	1991649931	JMLRDGDGPRZVSI-UHFFFAOYSA-N	247.678	-0.346	50	10	BBGE	
C[C@H](N)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991714331	FLUUTZFQKPOCKB-HZIBQTDNSA-N	246.694	-0.117	50	10	BBGE	
C=C(CN1CCN2C[C@@H](C)C[C@@H]2C1)B(O)O	1992153915	SXIIWMBZJWDDAU-GXSJLCMTSA-N	224.113	-0.419	50	10	BBGE	
CCCN(C)CC12CC(C(=O)NN)(CO1)C2	1993891037	LJNNLFMKQUVTPC-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)CCC1(C)C	1994868098	LITOYRXHZGDQJO-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)OCC(=O)Nc1ccc(B(O)O)cn1	1996646777	GFBZFJRMISSDBN-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CCC[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1998125647	KKYVNMOXFZVCEH-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
CCCC1(C(=O)N[C@H](CB(O)O)C(=O)O)CC1	1998126602	VFLDAJPGYUASEM-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3OCC[C@H]3O2)CC(=O)O1	1999558118	JUVKPVNLHFREIS-YIZRAAEISA-N	241.243	-0.682	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN(C[C@@H](C)C(=O)NN)C1	2001046916	SGWMFGODYKQAPP-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1[C@H]2CCC[C@H]21	2002184316	GZBDPJPPZLTRJR-YWIQKCBGSA-N	241.052	-0.925	50	10	BBGE	
COc1nn(C)cc1CN(C)[C@H](C)C(=O)NN	2002562660	GEHHHGRDLFQNTC-SSDOTTSWSA-N	241.295	-0.761	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)C(=O)C1	2004306682	LEGYDYKOFIZXCB-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)CCN1CCCN2CCC[C@@H]2C1=O	2004306982	OGVPBJPHLGABKL-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
COc1nc(N(C)C2CCC2)ncc1B(O)O	2005014515	MOOAUULNPLIYMB-UHFFFAOYSA-N	237.068	-0.846	50	10	BBGE	
OB(O)c1cnc(N2CC3(CC3)CO2)c(F)c1	2005014982	ULXSZSKODPUDHK-UHFFFAOYSA-N	238.027	-0.568	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)C2(CCCCC2)C1	2006030042	KJMXUSOIRKRFTJ-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCO[C@H]1C	2008385919	JFKKABUCKDEHTK-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@H](O)C2)C1	2010834884	IFSQCWXDPUFMMY-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](C2(O)CC2)C1	2013924403	BZTXXVXTFGDWHJ-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	2016080887	QGXCBBAIPLZQGU-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	2016210433	YTSGYQWMWKQJLF-SVSWQMSJSA-N	245.298	-0.309	50	10	BBGE	
Cc1ccnc(O[C@H]2CCN(C)C2)c1B(O)O	2021068143	MUEPGCPDCMONPJ-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1c(=O)oc2cccnc21	2028053454	VEJWVNPGYSUNSX-BQBZGAKWSA-N	248.242	-0.385	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CCNC[C@@H]2C3)CC1	2043093723	JOWSXCVWBQFPGI-GXFFZTMASA-N	249.314	-0.137	50	10	BBGE	
Cc1ncc(COc2cccc(B(O)O)c2)n1C	2052196386	OJYBQESNYJUXIN-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
N#Cc1cc(F)c(OC(F)F)cc1B(O)O	2060265254	KQYXSYUNTOBWSG-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
Cc1ccnc(N(C)C[C@@H]2CCN2C)c1B(O)O	2066394660	JNPFDZANPZRNHK-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cc(O)ncn1	2076081795	MYMJOKXNQIJWCG-ZETCQYMHSA-N	249.035	-0.987	50	10	BBGE	
Cc1cnc(-n2cc(F)cn2)cc1B(O)O	2212594062	CZSQPMTVUVHQMK-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
CN(CC1(Cl)CC1)c1cc(B(O)O)ccn1	2212602534	FXPBGKMZYSBHDP-UHFFFAOYSA-N	240.499	-0.031	50	10	BBGE	
CC(C)SCCN=c1ccc(B(O)O)c[nH]1	2212602699	IHRKJALNPQXTLY-UHFFFAOYSA-N	240.137	-0.263	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCNC2)cc1B(O)O	2217168923	ZGMNZXXDXXWEAI-SECBINFHSA-N	236.080	-0.942	50	10	BBGE	
COC[C@@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2217174478	ZRBHGVYDWIWWDR-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](C)N(CCO)c1ncccc1B(O)O	2217180875	WPHROJOMYVYSHG-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
CC[C@@H](CN)CCOc1ccc(B(O)O)cn1	2217191762	LCPSWYKBLIBTFQ-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CC(C)(CCCN)Oc1cc(B(O)O)ccn1	2217195190	GVNZGUOFOXWENH-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
C#CCCN(c1cc(B(O)O)ccn1)C(C)C	2217197904	SSOFARGSTQGJDG-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3COC[C@@H]32)c1	2217202837	MACXTKACHPWOMZ-UJNFCWOMSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1cccc(CN2CCC[C@@H](O)CC2)c1	2220061465	FCCZKBVJBDJVMO-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1ccno1	2222244498	SWKUAXSYRRTMGY-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1Nc1ncccc1B(O)O	2223627742	NVGGNXMJKOCZFD-GHMZBOCLSA-N	249.123	-0.440	50	10	BBGE	
Cn1cccc(Nc2ccc(B(O)O)cn2)c1=O	2223650736	QGMTUEKJKCHKTH-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@@]23CCOC3)c1	2223662071	SEJPIQBXESJBNT-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
O=C(NCCCF)[C@H]1C[C@H](B(O)O)C1	2241478740	KXRUOOOCPNDKLT-LJGSYFOKSA-N	203.022	-0.285	50	10	BBGE	
O=C(NC1CC(O)(CO)C1)OCCl	2241592622	OOCJGRJLIZPYAH-UHFFFAOYSA-N	209.629	-0.205	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CS[C@H]1CCNC1	2241942104	RXSZGZYEKSRUKJ-FXQIFTODSA-N	215.322	-0.293	50	10	BBGE	
CO[C@@H](CO)CNS(=O)(=O)CCl	2242437405	CDTQVMIHDDYKGL-RXMQYKEDSA-N	217.674	-0.891	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1csc(B(O)O)c1	2243356538	JCUYOEHFNFKZSI-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
C[C@H](NC(=O)c1ccsc1B(O)O)C(F)F	2243358451	HHLAJQGPPWEJHC-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)NC2CC2)c1C	2243377960	KEOVQZNLASCBET-UHFFFAOYSA-N	239.105	-0.063	50	10	BBGE	
CC1=CCN(C(=O)c2csnc2B(O)O)C1	2243378317	QOSPYFQFEPDRAW-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243383612	ZXPZJDCZMFGPEQ-DTORHVGOSA-N	226.085	-0.987	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)[C@H]1C[C@H](B(O)O)C1	2243391749	NVJXLCXORIOWIQ-MAUMQABQSA-N	229.060	-0.039	50	10	BBGE	
CCC(O)(CC)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243395963	FJTLTWJEMZDNPD-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1NCC[C@H]1NC(=O)C1CC(B(O)O)C1	2243413317	DIRQYKVZSCCBQM-MDVIFZSFSA-N	226.085	-0.894	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2243420608	WEXHQBBVUXIBKK-HLTSFMKQSA-N	222.053	-0.389	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)co2)[C@H]1C	2244205111	GATAVUBZYSVBHG-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	2246598690	OHSYUDXKZBQILN-HSLWUYEYSA-N	237.259	-0.993	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2CC1C2	2247724583	ZXMNYQWMOOZRAC-UHFFFAOYSA-N	235.048	-0.498	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCCC1	2247737730	IZHUNQMPBPSKTC-UHFFFAOYSA-N	237.064	-0.106	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCC[C@@H]21	2247747845	TWYNFEDWWRTZLG-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
C/C=C/CNC(=O)c1cccc(C)c1B(O)O	2247752106	INLYZNQGWVENPJ-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2247752733	UZSPNJCRTNBHDI-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247753227	CZJQPNVLBVUIFZ-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@@H]1O	2247757188	PFFMJXPZRYHGDF-CIUDSAMLSA-N	241.096	-0.341	50	10	BBGE	
CC12COC(CNC(=O)[C@@H]3C[C@H]3B(O)O)(C1)C2	2247796532	ANISCJBFJNLLKA-YJTAMFCSSA-N	239.080	-0.465	50	10	BBGE	
CCN(CCCN(C)C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247799426	CXHDXHKRHSKJQW-ZJUUUORDSA-N	242.128	-0.351	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@@H]1C1CC1	2247800267	NHLFYUUSZKMZPA-KATARQTJSA-N	239.080	-0.779	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808346	KVPROZOVCHGJRM-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=CCCC1	2247841936	MZGGYLOPEZPAGI-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(NC12COC(CF)(C1)C2)C1(B(O)O)CC1	2247856477	KNAKBWLONUTREZ-UHFFFAOYSA-N	243.043	-0.619	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccsc1B(O)O	2247868406	TVCKVKSYRSYHIZ-MRVPVSSYSA-N	249.100	-0.334	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(C)c(B(O)O)o1	2247876652	SSYTVIKCNXYSSU-PLNGDYQASA-N	237.064	-0.036	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247894442	GXEYDTMTQUWLEZ-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)[C@H]1C	2247896244	FMQHXBSTHUTOKL-XRBOHMRVSA-N	239.080	-0.121	50	10	BBGE	
C=C(C)C(=O)NCCc1ccccc1B(O)O	2248394802	CJCKUPZLLWOJHH-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305126	DOEWTOTVWUJUNM-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2255468470	BCMKLJRWXLBMKH-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)ccc1OC	2255498394	QTIODHPGCPMVHB-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cccc(F)c1B(O)O	2255501747	DGMKVECZINZBOR-QMMMGPOBSA-N	249.050	-0.046	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2C[C@@H](C1)C2	2255517494	COCJZWOYRJPPID-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
Cc1ccn(NC(=O)c2cncc(B(O)O)c2)c1	2255521053	RDEXODRZIBBVOM-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)c(F)c1	2255720837	QVDHKRONVILNEG-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@@H]1C[C@@H]1C	2257491362	MAUAFICAKFGTBO-CBAPKCEASA-N	248.091	-0.544	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1cc(B(O)O)co1	2258135828	UTYFIWMBSZLATN-LALMQGGXSA-N	247.059	-0.656	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)C1(B(O)O)CCC1	2261291743	BLKVGTMYEPIEHN-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2298164897	OPBMCGUQPPLJCW-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298377023	BESDLIBHNNFRQD-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@H]1CN(C(=O)C#CB(O)O)C2(CCC2)C1	2300597126	WAXGCASPNNAEDA-VIFPVBQESA-N	237.064	-0.828	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1occc1B(O)O	2301202350	UPDQBTNEEOMMSY-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCCN2)ncc1F	2303859626	YHKUUYBIMRYYTQ-SSDOTTSWSA-N	240.043	-0.969	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ccnc(B(O)O)c1	2304053177	TXZSHPQBLMMPCC-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)C1CNC1	2317212027	QDFKBFQYOSMFIJ-MRVPVSSYSA-N	246.075	-0.775	50	10	BBGE	
CN1CC[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317307516	BOMGZMUJQXGLNV-NSHDSACASA-N	248.091	-0.705	50	10	BBGE	
CN(N)C(=O)c1cccc(C(=O)N(C)N)c1	5668055	QCFBUGCSYBVZGV-UHFFFAOYSA-N	222.248	-0.422	50	10	BBGE	
CCCN(CC(=O)N(C)C)C(=O)NN	42426514	SSVBFEJWUFXQAR-UHFFFAOYSA-N	202.258	-0.630	50	10	BBGE	
COC[C@H](Cl)CN(C)S(=O)(=O)N(C)C	71083734	GSKYUGWSGGEAJX-SSDOTTSWSA-N	244.744	-0.022	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1CCCO	82468746	XMOVEDDSOIAZSL-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](Sc1nnc(N)n1C)C(=O)NN	82473343	HXJLZGKLODUHHO-SCSAIBSYSA-N	230.297	-0.742	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@H](O)C2)o1	110593743	JECQTRBONXAKEK-QMMMGPOBSA-N	239.275	-0.160	50	10	BBGE	
COc1ccc(CN2CC(=O)OC(=O)C2)cn1	111465892	PLZCJVZEZCELPH-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(N)cc1	142069681	NIEHHKFKQRXTHS-UHFFFAOYSA-N	229.261	-0.402	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@@H](O)CCl)cc1Cl	157848218	AJUFPLVFXARHDH-BYPYZUCNSA-N	239.058	-0.210	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](CO)C2)c1	163067988	KCXVUYAZXKOFFD-MRVPVSSYSA-N	239.275	-0.303	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)c2cnccc12	169909713	NVMTZJIJLKREMI-UHFFFAOYSA-N	217.977	-0.177	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc2c1OCC2	199612426	TYWUQWNCRJVSKB-UHFFFAOYSA-N	222.005	-0.912	50	10	BBGE	
COC(=O)c1coc2ccc(B(O)O)cc2c1=O	202746650	JODRMAVXXGUAOO-UHFFFAOYSA-N	247.999	-0.741	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@H](N)C1	203222827	ACMIYGHWVAPPFC-QMMMGPOBSA-N	224.264	-0.584	50	10	BBGE	
CC[C@H](C)N(CCOC)[C@@H](COC)C(=O)NN	232419944	RTEWBASLHUZAHG-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
CS(=O)(=O)c1cc(Cl)cc(B(O)O)c1	238383663	VAGINRZSVGVYEX-UHFFFAOYSA-N	234.469	-0.577	50	10	BBGE	
NCCC(=O)NCNC(=O)CCCl	238551776	QJXOPKOBOQFRSC-UHFFFAOYSA-N	207.661	-0.846	50	10	BBGE	
N#Cc1cc(Br)c(B(O)O)cn1	238631970	DANMCSJDLBWIBE-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CCCO1	251842067	QOCVMBFVXWOBBT-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)[C@H]1CSSC[C@@H](N)C(=O)N1	306504424	YVFXXGHNDLUSBM-RFZPGFLSSA-N	236.318	-0.634	50	10	BBGE	
OB(O)c1ccc2scc(O)c2c1O	306947111	OKVIFPOIICZKNK-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CC[C@H](CO)N(C)CCCCC(=O)NN	379005304	FFXSYLRURUHTTM-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CN(C)CC(=O)c1ccc(Cl)c(B(O)O)c1	380795811	GJXZGMHJGCBEOF-UHFFFAOYSA-N	241.483	-0.236	50	10	BBGE	
CCOC(=O)NNC(=O)[C@]1(C)CCCN1	390769357	URMDUMRAMPKCLH-VIFPVBQESA-N	215.253	-0.094	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H]1CN2CCN1CC2	394760683	SMVLWRJAQSSTGK-NXEZZACHSA-N	245.754	-0.023	50	10	BBGE	
COc1cnc(B(O)O)c(C(F)(F)F)c1	396121447	QZUPNXFPQYELGW-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC[S@](C)=O	399896258	JCVBAORTUIEXHM-WJWGPLDTSA-N	221.326	-0.935	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CCC1	405008031	TYFHDRMUPVDPCO-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
Cn1cccc1C(=O)Nc1ccccc1B(O)O	405012345	YIBYMFQSVLVXQD-UHFFFAOYSA-N	244.059	-0.043	50	10	BBGE	
CCN(CC)CC[S@](=O)CC(=O)NN	526903059	GSHHUMDWPZUZIK-AWEZNQCLSA-N	221.326	-0.933	50	10	BBGE	
CCn1nncc1COc1ccc(B(O)O)cc1	584910651	RQDCJYJOUHQBAZ-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]1C1CC1	584996074	WTGLHMOEHGCEAH-LBPRGKRZSA-N	245.087	-0.009	50	10	BBGE	
CC1(C)COC[C@H]1NCc1cccc(B(O)O)c1	585044735	RKGLPIZYURSVHQ-GFCCVEGCSA-N	249.119	-0.119	50	10	BBGE	
CCN(C)C[C@@H](O)CN1CCC(O)(C#N)CC1	687138975	YOJKFZPPCKGPDW-LLVKDONJSA-N	241.335	-0.351	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)NNC(N)=S	689976734	PAKFOQDGAXLCPZ-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
N#CC1(O)CCN(c2ncc(CN)cn2)CC1	692098927	ZJJXKPLJOMYBSC-UHFFFAOYSA-N	233.275	-0.210	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@](C)(CO)C1	694723081	BZJLMQWUOSOKKZ-KWQFWETISA-N	243.307	-0.896	50	10	BBGE	
C[C@H](Cl)CCNC(=O)c1nnn(C)n1	697203598	HVAUEFQNFYJBFU-YFKPBYRVSA-N	217.660	-0.043	50	10	BBGE	
O=S1(=O)CC(CNS(=O)(=O)CCl)C1	701897674	OYZZDBXZYNORLF-UHFFFAOYSA-N	247.725	-0.853	50	10	BBGE	
CCO[C@@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	702050412	NTNCLEBPFPVRGA-JGVFFNPUSA-N	245.279	-0.406	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](CO)[C@H](CO)C1	705329285	KKMTYOFYTPCBLM-CSMHCCOUSA-N	221.684	-0.327	50	10	BBGE	
CCOC[C@@H]1CN(C(=O)NN)CCO1	705868489	AKRDHHDANMRSOJ-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
COC(=O)C1(c2ncc(B(O)O)s2)CC1	709700439	OCQGDQYPZTXUHC-UHFFFAOYSA-N	227.050	-0.973	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710326077	RNEAIAUOKONJBU-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
COC[C@H](OCCOC1CC1)C(=O)NN	711947686	PPRGPPWUCISQQT-QMMMGPOBSA-N	218.253	-0.813	50	10	BBGE	
CCC(=O)Nc1ccc(B(O)O)cc1OC	712302357	SKPMJPFRJHBANX-UHFFFAOYSA-N	223.037	-0.277	50	10	BBGE	
CN(Cc1ccn(C)n1)CC(C)(C)C(=O)NN	723523015	CRPVNBARGONGRC-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
COCC(=O)NN=Cc1nccnc1OC	793027137	UTCRQMWPILVUQV-UHFFFAOYSA-N	224.220	-0.418	50	10	BBGE	
C[C@H](C(=O)N1CCC(O)(C#N)CC1)C1CNC1	821981434	UCDCEPXORBUTMM-VIFPVBQESA-N	237.303	-0.281	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)c1cnsn1	894288142	OYGUUFBIAWFELF-RXMQYKEDSA-N	244.276	-0.276	50	10	BBGE	
O=C(CO)NNC(=O)c1cccc(F)c1O	1306820337	KEXLWFTXQJEWEW-UHFFFAOYSA-N	228.179	-0.715	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCOC[C@H]1C	1322018898	VKCYHNFKMFCDLM-RQJHMYQMSA-N	215.253	-0.381	50	10	BBGE	
C#Cc1cccc(NC(=S)NNC(=O)CO)c1	1594438120	XUUQSPLQUDSDAP-UHFFFAOYSA-N	249.295	-0.022	50	10	BBGE	
Cc1cc(=NNC(=O)c2[nH]nnc2C)cc[nH]1	1646167231	SVUMKZVWIRTDFD-UHFFFAOYSA-N	232.247	-0.005	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H](CN(CCCl)C2)[C@@H]1O	1882456585	RSIKMTTUSSSWHV-JBDRJPRFSA-N	205.685	-0.101	50	10	BBGE	
O=C(NOCCCl)[C@H]1CCS1(=O)=O	1883018881	PXHATBCCZSTVAY-RXMQYKEDSA-N	227.669	-0.540	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C(=O)C=CC(=O)Cl	1883627336	TXYOBTWEKHYDHN-PHDIDXHHSA-N	203.625	-0.100	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCNNCC1	1883645560	PWNBYIHUEGUFMW-RNFRBKRXSA-N	203.673	-0.450	50	10	BBGE	
CN(CCCl)C(=O)NCS(C)(=O)=O	1884048451	JGEMJLMWFFOHJB-UHFFFAOYSA-N	228.701	-0.131	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1[C@H]2CCO[C@H]21	1884457645	ZOGAWNZPWMKHID-QPPQHZFASA-N	218.640	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@H]1CC[C@@H]1N	1887485308	HEIQWBXLWKBXGH-NGJRWZKOSA-N	215.322	-0.165	50	10	BBGE	
O[C@@H]1CCN(CCOCCCl)C[C@H]1O	1887705860	ZVSHUGITUNPCDX-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
CSCC(=O)NN(C)S(=O)(=O)C1CC1	1888572161	QSBRYIUMKIQLLG-UHFFFAOYSA-N	238.334	-0.195	50	10	BBGE	
CC(C)[C@@H](C)[C@@H](C)NC(=O)C(=O)NN	1888820459	ASQCLENERCGQCX-RNFRBKRXSA-N	201.270	-0.227	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271794	ICAPZLWFHLMLMO-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	1897339704	HDOBCAGGXXTMSH-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@H]2[C@H]1CO	1897345148	ZMVMASVHYLKCFA-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@@H](O)CN1CCCCCl	1900166009	MWLSXHCEGXPPOG-VGMNWLOBSA-N	223.700	-0.596	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCSC[C@@H](O)CO	1900527768	PECRFZYKTRSJLT-XHNCKOQMSA-N	248.348	-0.521	50	10	BBGE	
C[C@H]1C[C@H]1Oc1ccc(C=O)c(B(O)O)c1	1901243199	UDDYRIXJCUQCKP-WRWORJQWSA-N	220.033	-0.034	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@H]1B(O)O	1902133985	FRACWQBKMIYUDQ-YIZRAAEISA-N	229.085	-0.675	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2COCCO2)C1	1902549649	DENGRTHTKOHVOZ-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](CC1=O)C2(F)F	1905573364	PTWYZZYUBAINBP-VQVTYTSYSA-N	247.245	-0.132	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1907079072	JJSJGOQHFINLIQ-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
COC[C@@H]1CC[C@H](Cn2ccc(B(O)O)n2)C1	1908384675	ZSFYUPGAUFGXPD-VHSXEESVSA-N	238.096	-0.374	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1ncccc1B(O)O	1909557428	SSKCEGWCQPLCNW-IUCAKERBSA-N	238.071	-0.197	50	10	BBGE	
CC[S@](C)(=O)=NC[C@H]1C[C@H]1C(=O)NN	1913890818	WXEYYFZPACBNDS-KBEMCWPLSA-N	219.310	-0.270	50	10	BBGE	
COCC1CN(CC(F)(F)C(=O)NN)C1	1916281139	IOHTURHQMCBUBL-UHFFFAOYSA-N	223.223	-0.810	50	10	BBGE	
CC(C)(CO)C(=O)NNC(=O)C(F)(F)F	1923438773	IACJYBZRJDSFBR-UHFFFAOYSA-N	228.170	-0.285	50	10	BBGE	
O=C(CN1CCCCC1)NNCCO	1929839029	WZRSAHPTPAKCMY-UHFFFAOYSA-N	201.270	-0.915	50	10	BBGE	
NNC(=O)N1CCC2(CC1)CS(=O)(=O)C2	1930633472	IPFPPONVZAETRJ-UHFFFAOYSA-N	233.293	-0.920	50	10	BBGE	
CO[C@H]1CCO[C@H](CNC(=O)NN)C1	1933445723	PFFQINJSKLZDBX-BQBZGAKWSA-N	203.242	-0.647	50	10	BBGE	
C[C@H]1CCO[C@H]1CC(=O)NNC(N)=O	1935365231	OGHNHZGXVJHLER-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
COCC(C)(C)N(C)CC(F)(F)C(=O)NN	1935933700	ZQIOXAIBNNFPNH-UHFFFAOYSA-N	239.266	-0.032	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936092697	YYIGASKABLIEBM-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)CCO1	1936093093	AREYNLKQYHUSRZ-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)C(F)(F)CC1	1937575622	DVOWQRQWNHIXMG-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@H]3C2=O)CC1	1940087775	MJKXMBASFDSFLT-JGVFFNPUSA-N	223.276	-0.375	50	10	BBGE	
CCn1cc(Cn2ccc(B(O)O)n2)c(C)n1	1940184879	YYMDLXFLCCALHK-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
NNC(=O)c1cncc(CN2CC[C@@H](O)C2)c1	1940580000	ACPZCTRRCSNBHL-SNVBAGLBSA-N	236.275	-0.748	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@H]1CC(O)C2	1940886199	BOMZOFMJYBIBAV-BQBZGAKWSA-N	249.261	-0.401	50	10	BBGE	
CN(CCN1CCCC1)C[C@H]1C[C@@H]1C(=O)NN	1941086133	HJXSFJVAVFOGPR-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC[C@H]1CO	1941094516	NIIAQQHXGKGGMZ-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCOC1(C)C	1948230988	QVFDOSCEZDINNE-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
O[C@H]1CCCOC12CN(C[C@@H](O)CCl)C2	1958500066	PGVHTJIFOZIAOI-IUCAKERBSA-N	235.711	-0.188	50	10	BBGE	
C[C@@H](Oc1ncc(B(O)O)cn1)C1CC1	1961687550	MTUWJBACOFGEMM-ZCFIWIBFSA-N	208.026	-0.666	50	10	BBGE	
COCC(O)(CNC(=O)[C@H](C)Cl)COC	1974684838	OQFQMEWCBJILQZ-ZETCQYMHSA-N	239.699	-0.246	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC=C[C@@H](Cl)C1	1975224474	ZOFMCNBDMSDZED-ZCFIWIBFSA-N	248.695	-0.027	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)c1ccsc1	1976995563	RYDNBSMDWKGKFR-ZCFIWIBFSA-N	243.049	-0.596	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1978185336	RZBLAMANWKNBPB-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)CN1CCC(n2ccnc2)CC1	1980859065	AAYDTSXFPPQZFS-UHFFFAOYSA-N	223.280	-0.490	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@@H]1F	1981414086	NTIWKAFYLSGBNB-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
O=C1CN(CC(=O)NNc2ccccn2)C1	1981529578	FKWIQIJDYZZWGN-UHFFFAOYSA-N	220.232	-0.591	50	10	BBGE	
C[C@@H](CN1CC2(CC2)C[C@H]1CO)C(=O)NN	1981728278	AVZGDXYVJGOIMH-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)c1sncc1CN1CCNC1=O	1981733952	IASKOYBBYFTPEV-UHFFFAOYSA-N	241.276	-0.728	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1[C@H]2COC[C@H]12	1982260044	GQPKRABFIOINND-SZEHBUNVSA-N	227.308	-0.421	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNC(N)=S)C[C@H]1OC	1982342580	DVZSXVJSILOKGW-POBXSPIYSA-N	247.320	-0.709	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@H]1CF	1985767802	RFKPWEKBXSASNK-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
C=C[C@]1(O)CCN([C@H](C)[C@@H](C)C(=O)NN)C1	1990539394	KSPGHCOWHGZIBA-KKZNHRDASA-N	227.308	-0.376	50	10	BBGE	
O=C(NCC=CB(O)O)C12CC(CCO1)C2	1991330433	LVTCRNNCPFVRRV-UHFFFAOYSA-N	225.053	-0.760	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)C=CC(=O)Cl)C1=O	1991654351	JXDMTWDOANMUBJ-ZETCQYMHSA-N	244.678	-0.003	50	10	BBGE	
CN(CCF)CC12CC(C(=O)NN)(CO1)C2	1993890154	DHOCOKLTEAOWDY-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(F)(CO)CC1	1995937709	NPVXHEPFIRIWOL-BDAKNGLRSA-N	247.314	-0.203	50	10	BBGE	
CC(C)CCC(=O)Nc1ncc(B(O)O)cn1	1996648465	ZWGKSZBCDGHFPM-UHFFFAOYSA-N	237.068	-0.469	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N(C)C)CC12CC2	1997672136	VMQLVEKXTUCWAZ-ZJUUUORDSA-N	240.351	-0.077	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCn2cccc2C1	2004180362	ATGMSSNHXRTJMO-SNVBAGLBSA-N	238.291	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCCNC1=O	2004248521	XTKLUZYCXANNDJ-CIUDSAMLSA-N	242.323	-0.789	50	10	BBGE	
CC[C@H]1CN2CCC[C@H]2CN1CCC(=O)NN	2004369155	KNVPUVCKBIUZSG-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
COC1CC(N(C)c2ccncc2B(O)O)C1	2004917624	DLGDFXPMIGWNCI-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
CCCOCCCOc1ncncc1B(O)O	2004934286	DDDHTNZHCGUPLR-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCCCO2)n1	2005017496	FZZMPPUDUFHIRH-UHFFFAOYSA-N	237.068	-0.613	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@H]2CNC[C@@H]2O)CC1	2006008627	CJLNEQCNRDDMBD-QWRGUYRKSA-N	235.287	-0.361	50	10	BBGE	
CN(CC(=O)NN)Cc1ccn2cnnc2c1	2014565447	JSKNJUBBWLGEEM-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
C[C@H]1COCCN1c1ncc(F)cc1B(O)O	2014925654	DAZOFVVNLXTQNF-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2017284803	BZVWQMPVACJOII-CWKFCGSDSA-N	249.261	-0.566	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC12CC(CO1)C2	2017761047	SPHSLSIGISFEKH-QLWZBITOSA-N	239.319	-0.277	50	10	BBGE	
CO[C@@H]1CCC[C@H](C(=O)NCC=CB(O)O)C1	2020063625	YDHNQDBOGQIMST-VHSXEESVSA-N	241.096	-0.124	50	10	BBGE	
CCOCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2023853072	KGMRLZHEHSVUGE-XYPYZODXSA-N	244.291	-0.421	50	10	BBGE	
C[C@H]1CCOCCN1Cc1ccccc1B(O)O	2031610767	SAKQGUBELQJUBX-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCCC[C@@H]21	2052467218	OBMFQIKGXRXNRO-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
CCN(Cc1ccoc1)c1ncc(B(O)O)cn1	2052472015	IZSWZZVLQNNYTN-UHFFFAOYSA-N	247.063	-0.224	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)ccc2=O)cn1	2058154316	DKHFGWVONFEZTN-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1Cc2ccccc2O1	2077491737	DDTNLYYBVXEATH-NSHDSACASA-N	245.043	-0.878	50	10	BBGE	
COc1cnn(C[C@H]2CC[C@@H]2C(=O)NN)c1	2211839302	SEPJTNCNOBDEHI-APPZFPTMSA-N	224.264	-0.092	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212283865	MHRGVYDXEKEHHI-QMSLJYSESA-N	220.037	-0.666	50	10	BBGE	
C=C[C@@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212603850	JVPNSNUMXUWZEV-MRVPVSSYSA-N	220.081	-0.274	50	10	BBGE	
C#CC[C@H](C)CNc1cc(B(O)O)ccn1	2212611581	BNTILNALYNGLAQ-VIFPVBQESA-N	218.065	-0.167	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	2215776720	OPBMCGUQPPLJCW-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)ccn2)CCC[C@H]1O	2217174118	WFCWUJHQIPVLDE-MWLCHTKSSA-N	236.080	-0.523	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)ccn2)CCCNC1	2217177729	MONMNAZLBIDJMB-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
CO[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2217181215	YQVHUASOSKRACO-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CON(C)c1ccc(B(O)O)c(C(F)(F)F)n1	2217182915	HTXLGYSOOZFKHE-UHFFFAOYSA-N	249.985	-0.222	50	10	BBGE	
CC[C@@H](C)N(CCO)c1ccc(B(O)O)cn1	2217195851	AKXNFTVJFWAIGU-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
C[C@@]1(CN)CCCN1Cc1cccc(B(O)O)c1	2220072531	OWYXKJLKKOCSKA-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
CC12CC(CNc3cc(B(O)O)ccn3)(CO1)C2	2223636127	GBEMCRGAUKZIDM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
O=S(=O)(NC[C@H](O)CF)N1CC(Cl)C1	2241330945	GEFWAAFPADBSFC-ZCFIWIBFSA-N	246.691	-0.926	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CC(O)(CO)C1	2241592660	PBVINDVHVAHEFQ-SDUJUNFKSA-N	207.657	-0.384	50	10	BBGE	
OCC(F)(F)C1(O)CN(CCCl)C1	2242112178	IGAZONMYWQKWKP-UHFFFAOYSA-N	215.627	-0.101	50	10	BBGE	
COC(=O)N[C@H](C)CNS(=O)(=O)CCl	2242280080	IKXDBLVHFRZHBD-RXMQYKEDSA-N	244.700	-0.153	50	10	BBGE	
O=C(NC1CC=CC1)c1cscc1B(O)O	2243347079	HCGDPMLGIVGLBG-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccc(B(O)O)s1	2243357257	UBUCMBCDLGJFCG-PHDIDXHHSA-N	243.068	-0.484	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21)C1(B(O)O)CC1	2243359453	TYJGIVYWHNQAPK-RBXMUDONSA-N	221.065	-0.140	50	10	BBGE	
O=C(N1O[C@H]2C=C[C@H]1CC2)C1(B(O)O)CC1	2243364972	GCTNFNZUXPRACS-YUMQZZPRSA-N	223.037	-0.146	50	10	BBGE	
CCON(C)C(=O)c1cc(C)c(B(O)O)s1	2243367651	WIEUZHDNISYEEK-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2CC(F)(C2)C1	2243396041	GKLGSJPPEVDUCR-CINMIUTLSA-N	227.044	-0.190	50	10	BBGE	
O=C(N1C[C@H]2COC[C@H]1C2)C1(B(O)O)CC1	2244497250	KLZWHCQGTCVUPI-JGVFFNPUSA-N	225.053	-0.759	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)CC(=O)NCB(O)O	2245267249	MROZPWPBSBHIFI-SSDOTTSWSA-N	231.057	-0.748	50	10	BBGE	
C[C@H]1C[C@@H]1CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912459	AAAAMRDTFUANBU-NKWVEPMBSA-N	240.499	-0.095	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)C1CC(B(O)O)C1	2246206611	QGSXBFYBFWRRIT-AMDVSUOASA-N	227.069	-0.465	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCOCCF	2246739175	BOSZSEFDOBFBRP-UHFFFAOYSA-N	243.043	-0.565	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1coc(B(O)O)c1	2247733751	PTKGFAMJCQITEK-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
COC1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2247742735	SVCHFGPURCAQLI-ULKQDVFKSA-N	237.064	-0.830	50	10	BBGE	
CCC[C@@H](NC(=O)C1(B(O)O)CCC1)C(N)=O	2247751092	SLOHMCBDOHSERW-SSDOTTSWSA-N	242.084	-0.846	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)C1N	2247754429	DBOAISPFHWDPEP-HTQZYQBOSA-N	240.112	-0.565	50	10	BBGE	
CN(CCN1CCCC1)C(=O)[C@H]1C[C@H]1B(O)O	2247806431	NCVGDCCSKZBALW-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1CO	2247808341	KVFRHHFNFJKOBY-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CCC2	2247808794	WFJVBCCXOVNEQZ-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
CC[C@@H]1COCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247809152	OGCBFYIYDKHGHO-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ccoc1B(O)O	2247846580	JBLNKCGJZZCWGR-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C#CB(O)O)C[C@@H](C)O1	2247849430	ZVHXMBHDGGBARS-MYJAWHEDSA-N	239.080	-0.678	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](O)C1)C1(B(O)O)CCC1	2247852945	CTAOVLOQFIKMHW-IUCAKERBSA-N	241.096	-0.197	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247854476	DBOXFJXPGKWXHG-OPRDCNLKSA-N	243.112	-0.237	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ncccc1B(O)O	2247869496	SQHAAZKWSUEBLI-QMMMGPOBSA-N	236.080	-0.464	50	10	BBGE	
Cc1ocnc1CCNC(=O)C1(B(O)O)CC1	2247873273	HYEZSKKNGPWLPQ-UHFFFAOYSA-N	238.052	-0.351	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)C2(B(O)O)CCC2)C1	2247878935	QKDJTXJUGPGHNW-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885146	GKEIUCLJDNNKOL-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CCOC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893867	ZUUIMWCFGHRAHE-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CCCN(CC)CCNC(=O)[C@H]1C[C@H]1B(O)O	2247894713	KANKTAZWXWULPM-VHSXEESVSA-N	242.128	-0.303	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896560	ZSANOUNXQXXXMA-JXUBOQSCSA-N	243.112	-0.095	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248585059	FXABQQZTFGWYDL-FXQIFTODSA-N	241.052	-0.828	50	10	BBGE	
O=C(NC1CCCNCCC1)[C@H]1C[C@H]1B(O)O	2248633449	WRCSQNFOISURRJ-VHSXEESVSA-N	240.112	-0.502	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1cocc1B(O)O	2249415505	FPOFCZLCCAZLNT-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2249416603	UOPCOKQCQWJJKS-MBTKJCJQSA-N	235.048	-0.512	50	10	BBGE	
Cc1ccc(COC2(C)COC2)cc1B(O)O	2250791939	UAUYCRJILLYGNX-UHFFFAOYSA-N	236.076	-0.020	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ccnnc1	2251561159	SFUGWUPYQQPYRM-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
CN(CC1CC1)C(=O)Nc1ccnc(B(O)O)c1	2254654199	ZOJYUNLHJIEENW-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CC[C@@H]2C1	2255472513	GCNZNYJWGOINMY-DTWKUNHWSA-N	248.091	-0.433	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)c(OC)c1	2255551890	DIKDTSLQKJPOFK-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
Cc1cc(C(=O)NCc2ccco2)oc1B(O)O	2255573483	NKVQQFORPBXSEJ-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1nccc(C)c1B(O)O	2255582280	UTRMVWJGKIMPPX-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1=O	2255673122	CRVFMLMHTOUFPP-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
CC1CC(C)(NC(=O)c2ncccc2B(O)O)C1	2255717814	OYBKSCICUNJMDW-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ncccc1B(O)O	2255722898	VJRXGQJWLQKCAH-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1O	2255955124	IYNFYJFTDLVDMC-XVKPBYJWSA-N	249.075	-0.448	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1ccnc(B(O)O)c1	2256637953	XIPBAXGLGVQSBM-UHFFFAOYSA-N	246.075	-0.251	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCCC1CC1	2257487449	MZSGSWJCYNUZIT-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@]12C[C@H](CO1)C2	2260643445	NRSCMPPCDXRLDM-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2298004838	LNSZVDXFMRRYQS-MWGHHZFTSA-N	241.335	-0.154	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377230	IXBMBTGVDHRVQW-HKBCETJISA-N	240.112	-0.517	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377272	KMHQOWJRIIPGFC-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298568888	QNVQMRZVBFTNHW-KJFVXYAMSA-N	239.080	-0.467	50	10	BBGE	
C=CC1(O)CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300400927	XGXDCRZEDRUJFB-UWVGGRQHSA-N	239.319	-0.375	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCOC2)ncc1F	2303851037	YOSCWHNNVLEFCF-SSDOTTSWSA-N	241.027	-0.684	50	10	BBGE	
Cc1nc(CCN2CC[C@@](C)(B(O)O)C2)n[nH]1	2306978800	IYPGGDRDNUGWFM-SNVBAGLBSA-N	238.100	-0.406	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCN[C@@H]2CC[C@H]12	2312612311	PAPUSPHEXSZEET-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cc(N[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)ncc1F	2320786771	BIBPIFHWJCWKPO-XGZNGMTKSA-N	248.066	-0.033	50	10	BBGE	
C[C@@H]1C[C@@H](C)CN(C(=O)COCC(=O)NN)C1	58846827	LRAJHRCPMOYBKK-RKDXNWHRSA-N	243.307	-0.503	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1[C@H](C)N	63194711	SNLHDWBVMBAYND-WPRPVWTQSA-N	242.323	-0.645	50	10	BBGE	
Cc1cnc(=O)n(Cc2occc2C(=O)NN)c1	69051661	ZZRLPLSRKINACW-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
O=C(O)c1nnn(C[C@@H](O)CCl)c1C(=O)O	82312300	QUCYFTPETCRZGZ-VKHMYHEASA-N	249.610	-0.726	50	10	BBGE	
CCOCCOC[C@@H]1CC[C@H](C(=O)NN)O1	82463451	MGUVBXFULOSCGO-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
COCCCN(C)C[C@H](C)C(=O)NN	82469240	RKTWFZAIBSMNPV-QMMMGPOBSA-N	203.286	-0.419	50	10	BBGE	
CN(CCCCC(=O)NN)CC(C)(C)O	86275167	TZOOUZJYJNZGLH-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1ccc(C(N)=O)n1	86313855	GJIWHAOMYDNSTK-PHDIDXHHSA-N	225.252	-0.831	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCCNC1	110944855	HLCNLISPYOAYCT-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](CO)C1	166151811	VDKGOZIXUBYYIA-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](O)COC(=O)NNC(=O)OC[C@H](C)O	168583730	MSGFTHUDDIBEMG-WDSKDSINSA-N	236.224	-0.885	50	10	BBGE	
CCOC(=O)COc1ccccc1B(O)O	205922835	QQDJNKWAHJXDQQ-UHFFFAOYSA-N	224.021	-0.692	50	10	BBGE	
CCCN(C1CC1)[C@H](COC)C(=O)NN	232419128	RNHBWHPAIZNOQG-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)[C@H](Cl)CNS(C)(=O)=O	234581985	HKYRVXLCRXJSOA-SCSAIBSYSA-N	215.658	-0.684	50	10	BBGE	
Cn1cnc(CNS(=O)(=O)CCl)n1	236088793	DWTKLBPQFFZWNR-UHFFFAOYSA-N	224.673	-0.569	50	10	BBGE	
OB(O)c1ccc([C@H]2CCCNC2)nc1	238645596	PANCBELMTHUANW-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
CNNC(=O)[C@@H](N)C[C@H]1CCCN(C)C1	258972944	DFPSZLUDYUAHMP-BDAKNGLRSA-N	214.313	-0.704	50	10	BBGE	
O=Cc1ccc(Br)cc1B(O)O	306443574	QLSMHMHHJKJWMA-UHFFFAOYSA-N	228.838	-0.059	50	10	BBGE	
O=[N+]([O-])c1ncc(B(O)O)cc1Br	306614863	MGIMTXAANLGOFL-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CC1(O)CN(c2nc(N)nc(CCl)n2)C1	307111632	NRZDDPLFNQPBPH-UHFFFAOYSA-N	229.671	-0.236	50	10	BBGE	
COC1CN([C@@H](C)CCC(=O)NN)C1	308554722	UQEFHIYCUAOYPV-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@](C)(CO[C@@H](COC)C(=O)NN)OC	319437267	HVJKXMPMBAEBDX-WCBMZHEXSA-N	234.296	-0.177	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1cnn(C)n1	379875989	AFDYFNXZJWWEET-ZETCQYMHSA-N	232.671	-0.315	50	10	BBGE	
C[C@@H](Cl)c1nc(N2CCNCC2)[nH]c(=N)n1	381259211	RCKIBUHYELJCRE-ZCFIWIBFSA-N	242.714	-0.006	50	10	BBGE	
O=C(CCl)N[C@@H]1CCCN(CCO)C1	384805991	ZIIBZIBTZGARNW-MRVPVSSYSA-N	220.700	-0.202	50	10	BBGE	
CNC(=O)[C@@H](CC(C)C)NC(=O)NN	387285443	WBUZHGCTJCLCFL-ZCFIWIBFSA-N	202.258	-0.680	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	390806877	LDQHDKPZECLNQR-AXTSPUMRSA-N	209.293	-0.046	50	10	BBGE	
CCC1(O)CN(CCCCCC(=O)NN)C1	394937880	QJQCVABTZPMKAF-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)n1ccc(C(N)=O)n1	395571851	LVVNVZSSSBQHKG-ZETCQYMHSA-N	239.279	-0.441	50	10	BBGE	
CNC(=O)CCSCCCC(=O)NN	399177158	IICJXXFDHSZBJV-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
CC(C)[S@](=O)Nc1cccc(B(O)O)c1	405055515	LIVPFBJFVWVCOB-HNNXBMFYSA-N	227.094	-0.150	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(B(O)O)cc1F	405191481	WIBAWDUQJHZIJH-MRXNPFEDSA-N	245.084	-0.009	50	10	BBGE	
CN1CCC[C@H](NCc2cccc(B(O)O)c2)C1	585018734	QOKDCERURJHOFV-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1	692107822	QIOZRTNKVLIZAY-QMMMGPOBSA-N	237.259	-0.858	50	10	BBGE	
NC(=O)NNC(=O)/C=C/c1cccnc1	700876619	JQDZFBWEQCRLNA-ONEGZZNKSA-N	206.205	-0.206	50	10	BBGE	
COC[C@](C)(O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703425342	SDOGQVGTNROJBM-DKCNOQQISA-N	243.259	-0.700	50	10	BBGE	
Cc1nn(Cc2cc(C)n(C)n2)c(C)c1B(O)O	703687209	KWZAIAAFIQHLMX-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)S2	704297416	GHCKNJVWUJENPH-RQJHMYQMSA-N	229.305	-0.527	50	10	BBGE	
COC(=O)C1(O)CN(C[C@H](Cl)C#N)C1	714507752	QBDRTXGVCCETNH-ZCFIWIBFSA-N	218.640	-0.663	50	10	BBGE	
N#CC1(O)CCN(C(=O)C23CCN(CC2)C3)CC1	715869156	GKXALIFKEMRDOT-UHFFFAOYSA-N	249.314	-0.041	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)OCCl	719722181	GFEOVBDIUZXXKX-UHFFFAOYSA-N	230.673	-0.460	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1ccnnc1	843909685	YGFIWCKLTZBMLZ-UHFFFAOYSA-N	224.195	-0.260	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cn(C)nn1	855186974	DHOAHSSCIJZQDP-UHFFFAOYSA-N	235.247	-0.620	50	10	BBGE	
COC(C)(C)C(=O)NNc1nnc(C)n1C	856048687	KFUVGGJHUZOJDY-UHFFFAOYSA-N	227.268	-0.008	50	10	BBGE	
NCC(=O)NNC(=O)N1CCc2ccccc2C1	857763041	MTVUQFQKDSOOOR-UHFFFAOYSA-N	248.286	-0.256	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CN(C)C(=O)N1	862500442	REXRTVKNJRKWTO-VIFPVBQESA-N	249.274	-0.721	50	10	BBGE	
C[C@H]1OC(=O)N[C@@H]1C(=O)NN=c1cc[nH]cc1	1296236548	GVSMBGRQXZJTTF-SVRRBLITSA-N	236.231	-0.557	50	10	BBGE	
O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccccn1	1341871182	WQJIFQJQTIYLRI-LURJTMIESA-N	249.230	-0.877	50	10	BBGE	
CC[C@@H](C(=O)NNc1nc[nH]n1)[C@@H](C)O	1611412433	SJFZNXWRUQAQPI-PHDIDXHHSA-N	213.241	-0.345	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1n[nH]cc1F	1627566401	UGYNQHMJSASGRK-RXMQYKEDSA-N	216.216	-0.494	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1ccnnc1	1630214517	DIHBYXLGDOEQIH-IHWYPQMZSA-N	236.231	-0.560	50	10	BBGE	
CN(C)[C@H]1CCC[C@H](C(=O)NNC(=O)CO)C1	1638526188	GWICZFCDJYCLRJ-IUCAKERBSA-N	243.307	-0.754	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1ncncc1F	1641589114	GPKSOSKTFWDJGT-UHFFFAOYSA-N	237.198	-0.580	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H]1C[C@H](O)CN1	1866039633	AWAFOGWYVMWETK-ACZMJKKPSA-N	206.673	-0.547	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1Br)S(N)(=O)=O	1877480976	DNAWJCZPQDPMPQ-WHFBIAKZSA-N	243.126	-0.095	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883639075	KFRIPJTWWYCHGQ-GBNDHIKLSA-N	205.641	-0.822	50	10	BBGE	
CN(NC(=O)C(C)(C)C)S(C)(=O)=O	1888592748	WDVIEIMSOBFHNY-UHFFFAOYSA-N	208.283	-0.045	50	10	BBGE	
O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]1Cl	1893454318	VUJWCFBCIDXGNU-XLPZGREQSA-N	218.684	-0.282	50	10	BBGE	
CCc1nc(CN2CC[C@@H](B(O)O)C2)no1	1902506257	QSPYYBSBSXPVIW-SSDOTTSWSA-N	225.057	-0.319	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnc[nH]2)C1	1902514333	VVDKQUPZSTXIBK-VIFPVBQESA-N	223.041	-0.511	50	10	BBGE	
Cn1ncc(CN2CC[C@@](C)(B(O)O)C2)n1	1902517739	LGFBQELHYDSNDQ-SECBINFHSA-N	224.073	-0.746	50	10	BBGE	
OB(O)c1cccnc1SCCC1(O)CC1	1902831111	KJEUXJLCDDSSIX-UHFFFAOYSA-N	239.105	-0.232	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2[C@@H](C1=O)C2(C)C	1905535136	SZWBGBCYDQRZNT-NJUXHZRNSA-N	239.275	-0.604	50	10	BBGE	
Cc1cnoc1C(=O)Nc1ncccc1B(O)O	1913663350	KQYRXEUMEKEGIJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1CC(O)C1	1914601817	XKTLQIDMMOXYBB-KHONBHQKSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@](F)(CO)C1	1917085906	BSYWIENOTKKWLA-NSHDSACASA-N	247.314	-0.057	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](F)(CO)C1	1917087176	MTTLBYPLLVDQRV-IONNQARKSA-N	219.260	-0.839	50	10	BBGE	
CN(C)CC[C@H](N)C(=O)N1CC=C(C#N)CC1	1917109801	OWFYWKBNBXIRMM-NSHDSACASA-N	236.319	-0.052	50	10	BBGE	
C[C@H]1CCCCN1CCOCC(=O)NN	1928179666	SITRIXLIJZTEAU-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
O=C(Cn1cnnn1)NC1CC(CCl)C1	1928696940	UFKNOIQOUDXCJL-UHFFFAOYSA-N	229.671	-0.193	50	10	BBGE	
COC[C@]1(OC)CCN(C(=O)NN)C1	1931666238	ABPODRHICALFNA-QMMMGPOBSA-N	203.242	-0.693	50	10	BBGE	
N[C@@H](CO)C(=O)N1CCSSCC1	1931771268	XZBNZDVHKLZNEW-LURJTMIESA-N	222.335	-0.470	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C(=O)[C@@H]1C	1936529595	MRIBNTPAHCCTDI-JGVFFNPUSA-N	229.280	-0.893	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@@H]1F	1937151816	CBDFMPBRHOXACR-UYXSQOIJSA-N	233.287	-0.330	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2nccn12	1938573363	NEZGJSXFAIWFMD-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
C[C@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941074625	SXEMZBAGZQWMOM-INTQDDNPSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@]12CCOC2	1941078198	LCXQHGFAZVWTAR-CKYFFXLPSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCCO1	1941348796	KVFZBQYADMDXSO-IUCAKERBSA-N	241.291	-0.464	50	10	BBGE	
CO[C@@H]1COC[C@H]1Oc1ccc(B(O)O)cc1	1942934411	MKWZANPXTPXCNU-GHMZBOCLSA-N	238.048	-0.841	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC[C@H]1CO)CC2	1948554420	PSOFKRAXLSQVEZ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CC(=O)N1CC(F)(F)C(=O)NN	1955256700	FTPUTXMAKXAKHK-BYPYZUCNSA-N	207.180	-0.768	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(CF)C1	1955351680	QQRAXCUXMCXRSE-YUMQZZPRSA-N	201.245	-0.486	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC1CN(C(N)=O)C1	1955571947	MKEMYDJOQSEDMB-ZCFIWIBFSA-N	219.672	-0.117	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(CCCl)C2)N1	1956801361	DBSXAYOVGNOIAI-MRVPVSSYSA-N	217.656	-0.491	50	10	BBGE	
O=c1nc(Cn2nncc2CCl)[nH]o1	1957058614	PJCQQGYLYJBTMZ-UHFFFAOYSA-N	215.600	-0.259	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](N2CC(O)C2)C1	1958217450	JAOKDWJUPUTYPW-IUCAKERBSA-N	229.711	-0.132	50	10	BBGE	
CC(C)CO[C@H]1CCN(CC(=O)NN)C1	1958244740	RDAJIUHQSGAOGA-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC2(CCC2)C1	1959167035	GYWBDISYUAJNHS-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCn1cccc1	1961477072	BRQYMTJDCXAURU-VIFPVBQESA-N	210.281	-0.202	50	10	BBGE	
OB(O)c1cccnc1N1CC(CF)C1	1961695142	ZDZVSLYADJHEHA-UHFFFAOYSA-N	210.017	-0.833	50	10	BBGE	
CC(C)CO[C@H]1CCN(C(=O)C(=O)NN)C1	1976102648	OJICQVFMSAKZFC-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)c1cccs1	1976980448	XYQHSVBFMRSNTE-YFKPBYRVSA-N	243.049	-0.596	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ncccc2B(O)O)C1	1981423974	MDLKIPHDKZPHHE-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1[C@H](C)F	1985221105	OTLINSAUZSOIMZ-XHNCKOQMSA-N	233.287	-0.186	50	10	BBGE	
NNC(=O)C(=O)NCCCOCC1CCC1	1986605234	VXDAZMLJTHTGBZ-UHFFFAOYSA-N	229.280	-0.701	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1CCN1C	1987093019	QSUULSMVTSINER-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
C#CCNC(=O)CNC(=O)NC(=O)[C@H](C)Cl	1988007587	MEHKKQGCNAAPAO-LURJTMIESA-N	245.666	-0.811	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOCC12CCC2	1988480459	CFKYJWFNJCWLAS-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
Cn1cc(Cl)cc1C(=O)NCC#CB(O)O	1992167358	IXGBHCLVKSTUIO-UHFFFAOYSA-N	240.455	-0.576	50	10	BBGE	
C=C(CN1CCCC[C@@H]1CN(C)C)B(O)O	1992167943	SCEIBOUEFYLLPB-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
CC(C)C(C)(C)C(=O)N[C@H](CB(O)O)C(=O)O	1998135000	JUPFHURZJROVBC-SSDOTTSWSA-N	245.084	-0.289	50	10	BBGE	
NNC(=O)CCN1CC[C@H](C(N)=O)CC12CC2	2002291576	WCVKJARHTAUACS-QMMMGPOBSA-N	240.307	-0.904	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](OCCO)C1	2003872202	LFCVVYMZUZGCLC-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@@]2(F)C3)nc1	2004916830	QKYPCFSCGGMWPG-XVKPBYJWSA-N	237.043	-0.558	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@]12CCOC2	2004917869	GBWPLJVBNWAUBK-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
CC1(C)[C@H]2CN(c3ccc(B(O)O)cn3)C[C@H]21	2004918679	OKFHJDPTSWLZIY-AOOOYVTPSA-N	232.092	-0.146	50	10	BBGE	
CC(C)(C)[C@@H]1CCN1c1ncc(B(O)O)cn1	2004919746	CKPGALYYPMMULT-VIFPVBQESA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)C[C@H]1F	2004929877	OTTQANLAZVDDIA-PSASIEDQSA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CCC[C@@H]2C1	2004933589	JOFVLEAYBGILGP-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1ccncc1B(O)O	2004940142	URWMWSGVNGHANV-SECBINFHSA-N	232.092	-0.002	50	10	BBGE	
Cc1ncnc(N2CC3(C)CC2C3)c1B(O)O	2004973939	CGUOVLCLRRQAMA-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)cnc1N1CCC1	2004975824	FGFLDFHXBSNTTA-UHFFFAOYSA-N	245.997	-0.010	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@H](CO)C[C@H]3C2)CC1	2005992605	VAYZXPBIQHRXCN-GUBZILKMSA-N	239.319	-0.683	50	10	BBGE	
OB(O)c1ccc(OC2CC3(COC3)C2)nc1	2011105919	DGPBXVCPICLAPC-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@]1(O)CCOC1	2013283920	HCSONAGBDMHUMK-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)CC(=O)NNC(C)=O	2019178528	GLKROZFMBSNCEZ-VHSXEESVSA-N	243.307	-0.632	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(O)cc1F	2020067175	DKFIWBGDGMMFTR-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1ccncn1	2029097630	IMUANRHEGVZMDR-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN1CC[C@H](CN(C)c2ncccc2B(O)O)C1	2052490222	BCNPFNMTTMFZCS-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
Cc1cc(N2C[C@@H]3CCO[C@H]3C2)ncc1B(O)O	2052623275	HBPXJNLTZBEZII-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CCOc1ccc(B(O)O)c(C)c1[N+](=O)[O-]	2060033022	FSOIQEMARZWDTB-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1c(C=O)cc([N+](=O)[O-])cc1B(O)O	2060148178	YZKBPLZNYBJXNF-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
C#CCCOCC(=O)Nc1ccc(B(O)O)cc1	2067092608	QGZITFABKFACFL-UHFFFAOYSA-N	247.059	-0.655	50	10	BBGE	
NNC(=O)c1cccnc1CN1[C@@H]2COC[C@H]1C2	2077821287	WPGPBJWJUSFWQX-DTORHVGOSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1ccnc(NCC(F)(F)F)c1F	2212605153	YSOLZKNKNRRTBT-UHFFFAOYSA-N	237.949	-0.125	50	10	BBGE	
COC[C@@H](C)Nc1nccc(B(O)O)c1F	2212605657	IDPFCILEWSKZRD-ZCFIWIBFSA-N	228.032	-0.653	50	10	BBGE	
C=CCCCCOc1ncc(B(O)O)cn1	2212608685	VRDLLSSUFJCPCG-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
NNC(=O)c1cc(CS[C@H]2CCNC2)on1	2212648529	XRPOKLGJPARKQI-ZETCQYMHSA-N	242.304	-0.127	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	2214995538	UEWVTJGAAIBRMN-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2[C@@H](CO)[C@@H]2C1	2215773462	SQJXCSYOQXQTPV-OGBGREFGSA-N	239.319	-0.827	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2CC[C@H]2C(=O)NN)n1	2215775112	ZKZNDXANAJFPAR-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H](O)[C@H]1CC2	2216253431	RTUOPBOOUODPPB-ISUQUUIWSA-N	239.319	-0.400	50	10	BBGE	
Cc1ccc(=O)n(CC2(C(=O)NN)CCC2)n1	2216494307	XGAGBPIMZSUIAJ-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
C[C@H](CO)CC1CN([C@H](C)[C@H](C)C(=O)NN)C1	2216752544	VYVWAIQWHRHOFS-LPEHRKFASA-N	243.351	-0.049	50	10	BBGE	
N#CC1CN(CC2(C(=O)NN)CCOCC2)C1	2216882059	SXUBCCSYGGBRHT-UHFFFAOYSA-N	238.291	-0.772	50	10	BBGE	
CC[C@@H](CN(C)C)Oc1ncccc1B(O)O	2217167716	UXHFLYCEFFLIJF-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
C[C@H](O)CN(c1ncccc1B(O)O)C1CC1	2217177605	KVQTYWUBMIYFKY-QMMMGPOBSA-N	236.080	-0.889	50	10	BBGE	
Cc1cnc(NCC2(N)CCC2)cc1B(O)O	2217179394	KCLLNQFFDWDKAY-UHFFFAOYSA-N	235.096	-0.637	50	10	BBGE	
CC[C@@H](C)NCCOc1cc(B(O)O)ccn1	2217190043	KKTQSZXCAYRFSZ-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCCNC2)c1F	2217194758	CIJLSCFAVDXMJB-SSDOTTSWSA-N	240.043	-0.969	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)C(F)(F)F	2217198159	XNGGPSYJWWJDSB-YFKPBYRVSA-N	249.001	-0.811	50	10	BBGE	
CCCN(CCCO)c1ncccc1B(O)O	2217202850	MEBOYNIZLPRFBC-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncccc2B(O)O)CCN1	2217202894	MSKJXUWEPIFLGR-DTWKUNHWSA-N	235.096	-0.686	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCCC[C@@H]21	2217328637	CDWGTWRCHKTLSX-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
NC1CCC(CN=c2ccc(B(O)O)c[nH]2)CC1	2223624610	AOHPISHZNDSUQA-UHFFFAOYSA-N	249.123	-0.887	50	10	BBGE	
Cc1ccc(CNc2ncc(B(O)O)cn2)nc1	2223637904	SRHYMUMTKWXIJR-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@H]2Nc1ccc(B(O)O)cn1	2223651234	VZICEPNSGRTRCX-HLUHBDAQSA-N	248.091	-0.666	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)C[C@H]2NCC[C@H]21	2223656136	IXMKSTCXVMZWJN-FOGDFJRCSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCC[C@H]2CNC3)nc1	2223669060	FPPVNNGZZPYAQC-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
N#CCCN(CC1CC1)c1ncccc1B(O)O	2223674627	MHCZRDQGHWGCCM-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
OB(O)c1cccnc1NC1([C@@H]2CCNC2)CC1	2223675932	UNENHPYTNKIGBI-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
CSCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2241496956	XVWOXASDEKLXAD-BQBZGAKWSA-N	217.099	-0.329	50	10	BBGE	
CCC1(OC(F)(F)C(=O)NN)COC1	2242122729	WLFKXAHVKYWLFH-UHFFFAOYSA-N	210.180	-0.235	50	10	BBGE	
CC1CC(NC(=O)c2nscc2B(O)O)C1	2243348361	XEPKBTIIDLWGGF-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccoc1B(O)O	2243357378	VYMRFBHHPJXBLN-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
CCCCOCCCNC(=O)C#CB(O)O	2243362903	YDWFFKSWFDUWJG-UHFFFAOYSA-N	227.069	-0.675	50	10	BBGE	
CCCS[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243362987	ZKXHWGZUAUEEQN-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
C[C@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CC1	2243364093	QQIKUVRGYLXELK-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)sn1	2243377739	GHVXKRLKFBSTAZ-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)sc1C	2243386339	YKNNCUOGBMUSNB-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396374	LLAMBBXTCOPNIK-YUMQZZPRSA-N	228.101	-0.694	50	10	BBGE	
C[C@H](c1cscn1)N(C)C(=O)C#CB(O)O	2243399663	OPRRVJFXIGLRFT-SSDOTTSWSA-N	238.077	-0.322	50	10	BBGE	
O=C(N1CC2(C1)CC2(F)F)C1(B(O)O)CC1	2243410446	BOXIZBBXVHIKSO-UHFFFAOYSA-N	231.007	-0.139	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H]1CC[C@H]1C)B(O)O	2243412978	WYNCRQXIGAAYCS-APPZFPTMSA-N	247.125	-0.385	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243414993	MBEZODUWMOHUFK-FNCVBFRFSA-N	227.069	-0.779	50	10	BBGE	
CON(C)C(=O)Nc1ccccc1B(O)O	2243451249	BKYWASQSMNRWDP-UHFFFAOYSA-N	224.025	-0.609	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccccc1B(O)O	2243698333	RGBCMPAFSMMOLN-SSDOTTSWSA-N	223.037	-0.924	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@@H]2C[C@H]2C1	2244539805	NDOGTTNDFVAKQL-IUCAKERBSA-N	222.053	-0.947	50	10	BBGE	
Cc1ocnc1C(=O)NCCC#CB(O)O	2244547027	UVYGSYKEQNGNJO-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
CCC[C@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2244551525	GZOAOVUJBIFWLI-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)C[C@H](C)O	2244882711	AIDCAIQMBXJMQT-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
CS(=O)(=O)c1cnn(CCCC(=O)NN)c1	2245202470	OKRWWEPYFJWHKM-UHFFFAOYSA-N	246.292	-0.943	50	10	BBGE	
C[C@H](CN1CCC2(CC1)CN(C)C2)C(=O)NN	2246821031	VWRSKUBYAXUSGN-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@H]3C2)n1	2247139616	AWCHUOUKJPOPQQ-OCAPTIKFSA-N	234.064	-0.774	50	10	BBGE	
COC(=O)CCCNC(=O)C1(B(O)O)CCC1	2247733118	MLZNIIYOOKSCML-UHFFFAOYSA-N	243.068	-0.547	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)o2)on1	2247738868	VMMQRRDPZKKZSR-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(B(O)O)o1	2247741076	UIDSKVNVMHDJSA-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)NCC2	2247744093	NLGFEPSQVCDELP-UHFFFAOYSA-N	230.032	-0.392	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2247744247	PTFJGIAAFFWEFM-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
NC1(C2CN(C(=O)C3(B(O)O)CCC3)C2)CC1	2247749880	AWYFRVPDRYDRLT-UHFFFAOYSA-N	238.096	-0.667	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(C1CCC1)C1COC1	2247809296	OTRCCXYRCWRBCA-VHSXEESVSA-N	239.080	-0.371	50	10	BBGE	
NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247810386	XAGATAZGOQECRY-IVZWLZJFSA-N	240.112	-0.421	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2247847422	WZLWFESCJFSWLM-UHFFFAOYSA-N	234.064	-0.774	50	10	BBGE	
CCN(CC1CCOCC1)C(=O)C#CB(O)O	2247850421	OHGMCNQALIHTEZ-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)ccc2C)C1	2247875352	WNANPVRKASDDKH-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(N[C@@H]1CCN2CC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2247886961	IIEPBFBCGTUPAY-SGIHWFKDSA-N	238.096	-0.940	50	10	BBGE	
O=C(NCCN1CC=CC1)C1CC(B(O)O)C1	2247890846	CGXBIRFJASJFHS-UHFFFAOYSA-N	238.096	-0.773	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)CO1	2247892107	UHSNUSPMFRKQMD-DKEVHCRPSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC1(CO)CCCCC1)[C@@H]1C[C@@H]1B(O)O	2247897713	WIMVDFRPRJCCSB-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CNC[C@H]1C2	2247904321	PQEQAOAVHKDXAD-SEZDTBSWSA-N	238.096	-0.940	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C[C@H](C)O	2248442111	IZJRXDYQCGGVHO-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N(C(=O)C2(B(O)O)CC2)C1	2248586863	IIOIHYROTFJNTN-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
C=C(C)CNC(=O)c1ncc(B(O)O)cc1C	2248968945	VEJNVEDFIMBKLB-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2249409281	UOPCOKQCQWJJKS-MBTKJCJQSA-N	235.048	-0.512	50	10	BBGE	
CC(C)(CCF)NC(=O)c1cocc1B(O)O	2249432534	YPTKAXJOAYQFDO-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C1(C)C	2249851871	LAHITAKYXVWFSG-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@@H](C)CCC(=O)NN	2250551085	FQKBSLFRLKNZNP-VHSXEESVSA-N	247.339	-0.526	50	10	BBGE	
CC1(OC[C@]23C[C@](C(=O)NN)(CO2)C3)COC1	2250807572	OCRIVXBXGFACGO-XYPYZODXSA-N	242.275	-0.669	50	10	BBGE	
NNC(=O)CCN1CC(=O)NC2(CCCC2)C1	2251499036	SMEFNQCWPGXYQM-UHFFFAOYSA-N	240.307	-0.889	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1[C@H]2CC[C@H]12	2255445002	RCGYWRIWDLKTQF-YUMQZZPRSA-N	249.075	-0.346	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1ccoc1B(O)O	2255460684	XBGHMRDOYVYXJA-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(B(O)O)o1	2255461416	HPMUZDGEXIWEAU-HBWJFZBQSA-N	247.059	-0.656	50	10	BBGE	
Cc1ccc(C(=O)NC2[C@H]3CC[C@H]23)cc1B(O)O	2255512584	BWWLAOANLQPEJD-UWVGGRQHSA-N	245.087	-0.187	50	10	BBGE	
C#C[C@@H](NC(=O)c1ncccc1B(O)O)C(C)C	2255513911	ABCREBINZVKXEC-SNVBAGLBSA-N	246.075	-0.851	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1ccoc1B(O)O	2255717081	WHWDCZUSCKNYCR-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1ccoc1B(O)O	2255722010	JBMNZSYTQVMMOM-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2255771271	YEGGMWVRAXITCW-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@H]3C2)oc1B(O)O	2255780486	XCGVGZUJIGDXHZ-BDAKNGLRSA-N	249.075	-0.250	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1[C@H]2CCC[C@H]12	2258139297	VFLNPYOPYQHXDQ-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
Cc1cnc(O[C@@H]2[C@@H]3CNC[C@H]2C3)cc1B(O)O	2258371934	SVQMBTMYPVASPM-GDGBQDQQSA-N	248.091	-0.943	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369785	FMBDJNFYTYPVSP-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@]2(CO)CC[C@H]1C2	2299759176	ZZEPRSXECPSDST-DTHBNOIPSA-N	239.319	-0.541	50	10	BBGE	
O=C(Nc1ccccn1)c1cnsc1B(O)O	2300300963	RIAHREXVSBEGHE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](OC[C@H]1COCC1(C)C)C(=O)NN	2301157724	QPHZJANIWPKMFS-BDAKNGLRSA-N	246.307	-0.320	50	10	BBGE	
C#CC[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301452933	OHCHHRYLMZRJOA-SECBINFHSA-N	232.044	-0.031	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(CCO)C1COC1	2302050743	TVLKGPCGXHLKFF-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@](C)(CN1CCOC[C@@H]1CO)C(=O)NN	2303420095	OOGSCWAQKMXNCX-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H](O)[C@H]1C2)C(=O)NN	2303422078	GSQWHQUGMCBOKY-WYFGTUCQSA-N	241.335	-0.152	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)CCC1=O)C(=O)NN	2303438820	JCMVRACQSREGRU-GZMMTYOYSA-N	243.307	-0.624	50	10	BBGE	
NS(=O)(=O)CCNC(=O)CCCCCl	36745590	SFSLIOMEVZGXNH-UHFFFAOYSA-N	242.728	-0.200	50	10	BBGE	
O=C(CBr)NCCS(=O)(=O)O	41714197	VPNRXICCVHIQRN-UHFFFAOYSA-N	246.082	-0.615	50	10	BBGE	
COc1cccc(CN(C)C(=O)C(=O)NN)c1	42442459	CWVBGVCQKFCNMJ-UHFFFAOYSA-N	237.259	-0.357	50	10	BBGE	
CCN(CC(=O)NC)C(=O)NC(=O)CCCl	42517091	ODNOTYSKVRHZJS-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
C[C@H](CC(=O)NN)NCCCN1CCOCC1	58844777	SDDNQGIERAGEHP-SNVBAGLBSA-N	244.339	-0.933	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCSCC2)O1	82466597	DEMFBENDMXPXNI-DTWKUNHWSA-N	245.348	-0.427	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](N)C1	82470174	AMIHODYFMYJHNP-BDAKNGLRSA-N	214.313	-0.432	50	10	BBGE	
C[C@H](CCl)C(=O)NCCc1nnn[nH]1	95225664	SGMWJLMXIKGISX-RXMQYKEDSA-N	217.660	-0.267	50	10	BBGE	
CCN(CC)C(=O)CN(C)C[C@@H](C)C(=O)NN	104121618	GXJWHEYYEGEQJT-SECBINFHSA-N	244.339	-0.587	50	10	BBGE	
CNCCCN(C)Cc1ccoc1C(=O)NN	125012122	UDAWBLCIQANFJT-UHFFFAOYSA-N	240.307	-0.076	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCCN1C1CCNCC1	147307476	NXDBDAHXSKPSRF-NSHDSACASA-N	240.351	-0.204	50	10	BBGE	
CNONOSCc1cccc(B(O)O)c1	201015685	GYKQFBFWVYMYNL-UHFFFAOYSA-N	244.081	-0.898	50	10	BBGE	
NNC(=O)[C@H]1Oc2ccccc2NC1=O	220743509	ODVJNUIHDLFCNA-ZETCQYMHSA-N	207.189	-0.624	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093635	BDUFBYMFKHFDTA-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444611	KMOLODUYYBSPAN-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	227706005	BNXCFSPCRBXLAN-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCN(C)C(=O)C1	229085725	IJBAVUCYLMDOFG-JTQLQIEISA-N	242.323	-0.835	50	10	BBGE	
O=C1C[C@H](NS(=O)(=O)CCCl)CN1	229357525	LRSBZDFENIETTA-YFKPBYRVSA-N	226.685	-0.967	50	10	BBGE	
Cn1ncnc1NS(=O)(=O)CCCl	232300674	AVCQXSCEXBAFNX-UHFFFAOYSA-N	224.673	-0.204	50	10	BBGE	
COC[C@@H](OCc1ccco1)C(=O)NN	232417464	NKLRBOHIEUUIJV-MRVPVSSYSA-N	214.221	-0.199	50	10	BBGE	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)C(F)F	236138381	AHLVEHIPXQKTIB-QWWZWVQMSA-N	247.650	-0.228	50	10	BBGE	
NNC(=O)c1cccc(CN2CCOC2=O)n1	236230549	MPQHYWULYWSLKL-UHFFFAOYSA-N	236.231	-0.363	50	10	BBGE	
C=C[C@@H](C)NC(=S)NNC(=O)NC	238348553	DRGHDDWSGULSEP-RXMQYKEDSA-N	202.283	-0.131	50	10	BBGE	
CC(CC(=O)C(F)(F)F)=NNC(=O)C(N)=O	254440019	BINUKHXTXFBXLD-UHFFFAOYSA-N	239.153	-0.515	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H](CO)O1	299968773	RPJYCJNYPWSQBH-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cc(F)c(O)c(Br)c1	306256507	OEHJLQJSYONTHX-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1ccncc1=O	306367900	APKQRVHJYQCLOF-RXMQYKEDSA-N	202.597	-0.065	50	10	BBGE	
OB(O)c1cc(F)cc(Br)c1O	306390455	VWAVMQLQHNWFKS-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CC1	308995217	XEMWAIQJUHIWSJ-UHFFFAOYSA-N	206.010	-0.890	50	10	BBGE	
O=C(NNC1CCCC1)[C@H]1COCCN1	379457144	OLUWKLVTPFGIOI-SECBINFHSA-N	213.281	-0.462	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(C[C@H](O)CCl)C1	379574823	KZWHDLSLZYTBBK-IWSPIJDZSA-N	223.700	-0.332	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCSC[C@@H]1CO	388077305	AVPVDTZFNUACBQ-DTWKUNHWSA-N	247.364	-0.589	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388082736	BQWMGDOORQTOON-RKDXNWHRSA-N	229.324	-0.296	50	10	BBGE	
CCOC(=O)[C@H](Cl)CNC(=O)C(=O)OC	389599492	SOSVSIFUUNEUAF-RXMQYKEDSA-N	237.639	-0.554	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H](O)C1	395593923	NYNFQCWDXPDYCP-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
O=Cc1c(B(O)O)ccc2c(CO)csc12	396340166	RGNCWXLOVUXAQW-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[S@](=O)Nc1ccc(F)cc1B(O)O	404840146	AMWISMSMRJUYIC-AWEZNQCLSA-N	217.030	-0.789	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)NC1CC1	405150272	QKDYRAYQWASXAD-UHFFFAOYSA-N	238.027	-0.211	50	10	BBGE	
CN1C(=O)N[C@H]2[C@@H]1CNC[C@H]2Br	605691636	NZGCYQKKWMFNDY-NGJCXOISSA-N	234.097	-0.255	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)CC(C)(C)C(=O)NN	688146485	PRSACVGMDOCJBL-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@@H]1O	689820122	WYCMEWDJWWTUQJ-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC1(C)CC[C@@H](Cn2ccc(B(O)O)n2)O1	694276692	PFQOJBTZOFETPV-QMMMGPOBSA-N	224.069	-0.480	50	10	BBGE	
OB(O)c1cnn(CCC[C@@H]2CCCO2)c1	694538014	ZDLREYAIBSPMMN-SNVBAGLBSA-N	224.069	-0.478	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOC[C@H]1CO	695062484	QYBKYCAOPVAZBQ-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCCN1CC(N2CCCCC2)C1	697751407	RMRQZOPYVSIKDZ-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@H](CO)C1	700399964	VTAXSKQUOVIRME-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CC#CC[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717770386	PJTYMEIBNCXISS-UTLUCORTSA-N	237.255	-0.323	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(N)=S)C1	718477021	FJRDZUORCBQTIR-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	724143186	WNWMVKJCYDBMFL-QWHCGFSZSA-N	249.119	-0.024	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1[CH]SC=C1	725711710	RPVQUYRFBGBCSV-SSDOTTSWSA-N	249.080	-0.262	50	10	BBGE	
O=C(NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21)NC1CC1	780907119	GFUPKUDXUZPZEM-HLTSFMKQSA-N	239.275	-0.096	50	10	BBGE	
COCCCC=NNC(=O)[C@H]1CCC(=O)N1	863152941	JHPDXAHWYVBXAZ-MRVPVSSYSA-N	227.264	-0.206	50	10	BBGE	
COC[C@H](C)C=NNC(=O)CS(C)(=O)=O	863187229	CYTBQJLNIDGMKK-SSDOTTSWSA-N	236.293	-0.585	50	10	BBGE	
COCCN(C)Cc1c(F)cccc1B(O)O	1232755027	PQMFPJQGIMJMNJ-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCc2nncn2CC1	1290392388	WLEBQYIOZNKCLR-MRVPVSSYSA-N	237.263	-0.602	50	10	BBGE	
COCC(=O)NN=C1CCCS(=O)(=O)CC1	1330023485	AVVDJDZDCHHYBU-UHFFFAOYSA-N	248.304	-0.296	50	10	BBGE	
COc1nn(C)cc1C(=O)NNc1cccnn1	1446660897	ONUBWKGGBYGCDS-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1ccc(O)cn1	1463577641	ZWYJPTIVXGHIMR-UHFFFAOYSA-N	221.216	-0.042	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)c1ccnnc1	1469120887	WGZPQKOUSKOJAQ-UHFFFAOYSA-N	230.227	-0.349	50	10	BBGE	
COCC#CC(=O)NNc1ncncc1F	1472572592	POXCRQTWZLVGIV-UHFFFAOYSA-N	224.195	-0.291	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1ncccn1	1528986056	HIMMDGVFQWNRFY-UHFFFAOYSA-N	247.214	-0.532	50	10	BBGE	
O=C1C[C@H](c2cnc3[nH]nnc3c2)C(=O)O1	1535661207	YTUIVNQUWTZWCX-RXMQYKEDSA-N	218.172	-0.090	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1CCN1CC	1640011560	VXMOSYJPPWGBBG-SECBINFHSA-N	215.297	-0.574	50	10	BBGE	
O=C(NOCCBr)c1cnn[nH]1	1881149784	FUOJOJAUAMRTPP-UHFFFAOYSA-N	235.041	-0.139	50	10	BBGE	
O=Cc1cc(Cl)c(B(O)O)cc1F	1881847926	UCZBMULJAHOCTB-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
O=C(NCCOCCO)[C@H]1C[C@@H]1Cl	1883634207	HTQMTSQCTMUXAY-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCOCC[C@@H]1N	1884594368	DIFCXCVRILMECY-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(N)=O)CCO1	1886029386	JGCKBAFLDOWFAZ-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
O=C(NOCCCl)c1c[nH]c(=O)cn1	1888308169	OAOAHRWRDMOKQD-UHFFFAOYSA-N	217.612	-0.330	50	10	BBGE	
C[C@H](S)[C@H](C)C(=O)NN(C)S(C)(=O)=O	1888555161	VJDYUCVBMCRTQU-WDSKDSINSA-N	240.350	-0.137	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C)S1(=O)=O	1893852483	WJTLXLPAMSYBTC-RNFRBKRXSA-N	235.309	-0.821	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1894741521	FPWIFOALLLGXBA-QYNIQEEDSA-N	233.023	-0.204	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NC(=O)C=CC(=O)Cl	1897220066	BXBOVCYPIWELRL-HTQZYQBOSA-N	246.694	-0.247	50	10	BBGE	
CS[C@H]1CN(C(=O)C#CB(O)O)C(C)(C)C1	1899484228	ZLRXCQAWWKEQLB-MRVPVSSYSA-N	241.121	-0.256	50	10	BBGE	
C#CCC[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1901341034	NTVXBLALHGLDEY-MRVPVSSYSA-N	247.320	-0.960	50	10	BBGE	
CCSCC(=O)Nc1ccc(B(O)O)cn1	1901546589	NPZRALKJSMISPJ-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ncc[nH]2)C1	1902523109	XBKVZXWAINAFLF-SECBINFHSA-N	223.041	-0.511	50	10	BBGE	
C[C@@H](C(=O)N(C)C)N1CC[C@@](C)(B(O)O)C1	1902541534	PPSJCTMZVVUOHI-WCBMZHEXSA-N	228.101	-0.598	50	10	BBGE	
Cc1ccnc(Cn2ccc(B(O)O)n2)c1	1902880431	BMTVIPDTGLXVJX-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
OB(O)c1cc(OC(CF)CF)ncc1F	1903008693	ALJBUUPFHNMZMF-UHFFFAOYSA-N	234.970	-0.413	50	10	BBGE	
N=C(C[C@@H](O)CNC[C@@H]1C[C@@H]1Cl)NO	1903813248	CAKRTKNIAVHFNT-XVMARJQXSA-N	221.688	-0.090	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@@H](F)C2)ncc1B(O)O	1907076566	GXJLRKNFTSYIOO-MUWHJKNJSA-N	239.059	-0.741	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3C[C@@H]3C2)c1B(O)O	1907076900	LOQKMJPGKVUIIR-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@]3(C)C2)c1B(O)O	1907077468	ULDRCJNFHOCNDG-GZMMTYOYSA-N	233.080	-0.689	50	10	BBGE	
CCN(CC(N)=O)C[C@@H]1CC[C@H](C(=O)NN)C1	1908365455	VYNKERVBLKTHNJ-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@@H]1C[C@@H]1C(=O)NN	1918075383	ULYJBFWBTPPYBG-UFIJUMAVSA-N	249.336	-0.643	50	10	BBGE	
CN1CCC[C@@H](NNC(=O)C(F)(F)F)C1=O	1923409385	RVGAWSURZHRHQD-RXMQYKEDSA-N	239.197	-0.210	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1)OC	1928678243	PMBDXVWLAONZIP-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
O=C(CBr)N1CC[C@@H]1CO	1929726141	BKEWUGFBRXPJNO-RXMQYKEDSA-N	208.055	-0.026	50	10	BBGE	
C[C@@H](C(=O)NNCCO)[C@@H]1CCCO1	1929835706	WTWDWUUSYGYGAM-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)CC(=O)NN	1929906984	ACRGUFHZIQURAF-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](O)(CC)C1	1930889475	GTNQVXRBMQRYDH-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](CN)SCC(=O)NNC(C)=O	1934303155	OQJPZAWIVRTITQ-ZETCQYMHSA-N	219.310	-0.376	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(CCC(=O)NN)C[C@H]21	1935841108	ZUVCRUSQBATOCA-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936093924	IVCGCSGHNUHJIC-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936095020	SKFCXHOOCNQHCT-VHSXEESVSA-N	226.324	-0.750	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)CCS1	1936534265	ODHLTWBTPYIJJZ-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CC(O)C2)C1	1937042389	PHVLQNMPGITEKZ-HTQZYQBOSA-N	227.308	-0.542	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C[C@H]1O	1938230653	KYWYOZWMUMGNLS-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
CCN(C)[C@@H]1CCN(CCCC(=O)NN)C1	1939074212	KNXQUNGRBVHBIX-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(C)NC(=O)CN(C)CC1(C(=O)NN)CC1	1945883583	BLEOJGJVELMFGG-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)C(=O)NN)o1	1961475880	KVRTZWFUKCGUSD-RXMQYKEDSA-N	213.241	-0.812	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)CCCl)C2)N1	1974909652	UOBJVIDHBCXHDD-VIFPVBQESA-N	231.683	-0.101	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1COC2(CCC2)C1	1975216641	WZJVTXJGMNGCDP-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1C[C@H](O)C1	1975303864	NMGZCGZFJRRXRD-ZKCHVHJHSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC([C@@H](F)CO)CC1	1977993756	KSCSJTODLZFBPG-CBAPKCEASA-N	233.287	-0.593	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CC(C)(C)C(=O)NN	1979616401	QHCAJMSQIHEXRI-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CNCCSCc1nn(C)cc1C(=O)NN	1980595401	YJXKNFDBVADEKK-UHFFFAOYSA-N	243.336	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217061	PRXKXVMDPGPUIS-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@H]1CCN(c2ncncc2B(O)O)C1	1981413327	FNXBLSUZNNJHMQ-MRVPVSSYSA-N	221.069	-0.607	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3C[C@@H]32)n1	1981468803	IPFAVAFMZACJID-CBAPKCEASA-N	219.053	-0.937	50	10	BBGE	
O=C1NC[C@]2(CCCN(C[C@H](O)CCl)C2)N1	1983848604	VGSGTWIXDRQKTB-SCZZXKLOSA-N	247.726	-0.267	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H](O)C[C@H]21	1984031409	OZZMVCNVOMSOIL-WLRJLXCNSA-N	227.308	-0.544	50	10	BBGE	
CCc1ccn(-c2ccncc2B(O)O)n1	1986241017	HPHAYXZMTSRQAD-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
C[C@H](NC(=O)N(C)C)c1cscc1B(O)O	1987174747	IQBXPULJTIBCAC-LURJTMIESA-N	242.109	-0.240	50	10	BBGE	
CO[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)NN)C1	1987410117	ZMJCIPBCRFVLCB-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
OB(O)c1cccnc1Oc1cccnc1	1988362498	ABYPLDLESRSXCV-UHFFFAOYSA-N	216.005	-0.051	50	10	BBGE	
COC[C@@]1(C)CCCN(C(=O)C(=O)NN)C1	1989522900	MKGFNBZJSAZYSK-JTQLQIEISA-N	229.280	-0.749	50	10	BBGE	
Cn1cc(NC(=O)NCC=CB(O)O)cn1	1991331002	NTIONSLTAAFZQR-UHFFFAOYSA-N	224.029	-0.890	50	10	BBGE	
O=C(NC1(C(=O)O)CC(CO)C1)[C@@H]1C[C@H]1Cl	1991674645	GKOILYBSHOLCQW-ZBFMHRLGSA-N	247.678	-0.044	50	10	BBGE	
Cc1ccnn(CC2(C(=O)NN)CC2)c1=O	1994698001	CXFQUBHVNUMUOZ-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CC[C@H](O)CC1	1997584968	ALSJXBPENIYXPY-MGCOHNPYSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)OCC1(C)C	2002291745	XLLBLWRXXYOUCV-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	2004190939	LJEJQACZFWUGSY-HOTUBEGUSA-N	241.335	-0.152	50	10	BBGE	
CCN([C@@H]1CCNC1=O)[C@H](C)[C@H](C)C(=O)NN	2004314544	RBSFRWYQRSWUFG-DJLDLDEBSA-N	242.323	-0.789	50	10	BBGE	
CC1(C)C[C@@H]1CCOc1ncncc1B(O)O	2004934465	FMHFIICWPBJJPY-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
Cc1cnc(OCCOC(C)C)c(B(O)O)c1	2004935010	KGQOGYDWTFANCP-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)C[C@H]2C)n1	2005014420	LKFYDQVXIHOKET-HTQZYQBOSA-N	235.096	-0.300	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1(CF)CCC1	2008840033	GGNPUDWGUJFAPO-UHFFFAOYSA-N	239.055	-0.332	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC=C2B(O)O)C1	2020057125	RSSCMADNTDKNBJ-HGNGGELXSA-N	239.080	-0.372	50	10	BBGE	
COC[C@H](C)COC[C@@H]1CC[C@@H](C(=O)NN)O1	2026062172	PUBRAWIRNMWECS-GUBZILKMSA-N	246.307	-0.177	50	10	BBGE	
Cc1nn(C)c(OCc2ccccc2)c1B(O)O	2059933173	IEOZRKOHGMEOGQ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2068328111	YCXDTUPRXLELIG-CNABLZDZSA-N	248.066	-0.255	50	10	BBGE	
N#Cc1nccn1C[C@@H]1CCC[C@@H](C(=O)NN)O1	2073541858	NOHOERFVIFRBQK-IUCAKERBSA-N	249.274	-0.318	50	10	BBGE	
OB(O)c1ccc(COCc2ncccn2)cc1	2080347693	VCHZZTYWHRIYIY-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCC[C@H](O)[C@H]1O	2209413301	CDUCXMRQTWFSST-VQVTYTSYSA-N	243.712	-0.624	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)[C@H](C)CN1C	2212070603	MRQICMWLVBYZAC-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@H]1CF	2212603062	MPZKCYKYLFGEIH-JGVFFNPUSA-N	224.044	-0.221	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1cc(B(O)O)c(C)cn1	2212604393	PHFVIYKNGIKUBS-BDAKNGLRSA-N	222.053	-0.731	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1F	2215773647	UAMZIQFTAMQKEF-QCLAVDOMSA-N	245.298	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@]2(CO)C1	2215773920	UXQMAHLPGTWURE-DTHBNOIPSA-N	239.319	-0.683	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CC1(C(=O)NN)CCCCC1	2216873584	YLWIILHYRRMKOS-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CO)CCCC1	2216880936	AYKGDLYABKPOCE-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217179867	CGPMXYQPLYGQJZ-YUMQZZPRSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(N2CC[C@](C)(O)C2)cc1B(O)O	2217182543	DZGJJNDUBSIRKN-NSHDSACASA-N	236.080	-0.969	50	10	BBGE	
Cc1cnc(OCC[C@H](C)CN)cc1B(O)O	2217183451	IJQBQFHENPKZQS-QMMMGPOBSA-N	238.096	-0.566	50	10	BBGE	
Cc1cnc(N[C@@H]2CCO[C@H]2C)cc1B(O)O	2217184836	WYYPEZOUQQGREI-WCBMZHEXSA-N	236.080	-0.341	50	10	BBGE	
CNCC[C@H](C)Oc1nccc(B(O)O)c1F	2217196159	PZGGRWQJEDFHGC-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
OB(O)c1ccnc(NCCC2(O)CCC2)c1	2217200192	RIPSBXAVTGZAKO-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCC[C@@H]1O	2217203997	CVHSXOCJMCOGIP-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cnc1=O)C(C)(C)C	2217406942	XTNMXOQDOMKRDD-QMMMGPOBSA-N	238.096	-0.395	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CCC3(CC3)C2)[nH]c1	2223625799	FUOXPABEHCMOON-VIFPVBQESA-N	247.107	-0.430	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3COC[C@H]3C2)c1	2223630025	XRGRAGFDYSDEAZ-NXEZZACHSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@@H]1C[C@@H](O)C2	2223641685	VPRYZYNUSITHGO-ILWJIGKKSA-N	248.091	-0.747	50	10	BBGE	
CC1(C)CC[C@H](N)CN1c1ccc(B(O)O)cn1	2223652012	FRCBPLWZEKOVCB-JTQLQIEISA-N	249.123	-0.533	50	10	BBGE	
CCCn1cc(Oc2ncc(B(O)O)cn2)cn1	2223656029	HVQATBBAOZIZNA-UHFFFAOYSA-N	248.051	-0.445	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](Nc1cc(B(O)O)ccn1)C2	2223670837	DEMRLXQWMDRSKF-ZMLRMANQSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1c1ccc(B(O)O)cn1	2223671816	QBNRDGNVUNDSMS-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1c1cc(B(O)O)ccn1	2223672541	GNNQMAKRNDYTPS-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]1CN(C[C@@H](O)CCl)C2	2241815926	SQKPMRRLECXRRN-KZVJFYERSA-N	205.685	-0.101	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1cc(B(O)O)c[nH]1	2243356734	MIHKOOMHOLNKMV-FSPLSTOPSA-N	242.471	-0.948	50	10	BBGE	
CNc1cccc(NC(=O)C#CB(O)O)c1	2243362027	KWPPRIMJKSCDQZ-UHFFFAOYSA-N	218.021	-0.318	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)C1(B(O)O)CC1	2243366235	ZCOWBKVUUBBCFB-XVKPBYJWSA-N	225.053	-0.711	50	10	BBGE	
CCO[C@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396958	SXWGVEAABOEXRU-IWSPIJDZSA-N	229.085	-0.219	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243408628	QUFCMODNOPKIHR-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
O=C(N[C@H](CO)CC(F)F)C1(B(O)O)CC1	2243409335	GDEIRFDGMKFQHD-YFKPBYRVSA-N	237.011	-0.874	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1NC(=O)C1(B(O)O)CC1	2243410025	UBLTXAZQRYCEMV-HTQZYQBOSA-N	226.085	-0.940	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC=CCC1	2243410051	UPTYEFCMXPNREB-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)C1(B(O)O)CC1	2243410205	WZQNZDUHUOGXQM-QMMMGPOBSA-N	227.069	-0.464	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243415160	PJQUPUKBOBLOFT-CIUDSAMLSA-N	222.053	-0.389	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1sncc1B(O)O	2243415211	QGKGSKUECFJEDH-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2243427558	XGEJGGGCKGCBNM-BZNPZCIMSA-N	226.085	-0.907	50	10	BBGE	
CC1(F)CC(C(=O)NCCC#CB(O)O)C1	2244548449	PSUBQEUXPHMLEU-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
CCn1cnnc1NC(=O)[C@H]1C[C@H]1B(O)O	2244751122	AGQWPWSGZVSZPP-NTSWFWBYSA-N	224.029	-0.901	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2246748743	NXTVMTYRMRTSBC-VDDIYKPWSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](NC(=O)C1(B(O)O)CCC1)C(N)=O	2247751655	ZZDINXJBPYBPRV-SSDOTTSWSA-N	242.084	-0.990	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)ccc1C	2247761006	POWXEVMRWBMYKT-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)C1(C)CCC1	2247797646	LSGQBTAMEAWFQZ-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)CCN1	2247798730	WRXAVBQFTVPNJK-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CC(C)N(CCCO)C(=O)C1CC(B(O)O)C1	2247799060	ZJYNQLQHJSVWRN-UHFFFAOYSA-N	243.112	-0.141	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247799154	ADOOKQVCVRSIQJ-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCC1=CCCOC1)[C@H]1C[C@H](B(O)O)C1	2247800924	VBIWQXNJNTVDMT-MGCOHNPYSA-N	239.080	-0.298	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2COC[C@H]2C1	2247807605	RFVRURLSOURWMY-ZYUZMQFOSA-N	239.080	-0.656	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCOC1	2247808702	LWMDOLTYHWLYDW-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1coc(B(O)O)c1	2247870377	IXABMPBUSDCVDG-NBEYISGCSA-N	235.048	-0.512	50	10	BBGE	
O=C(NCc1cnc(O)[nH]1)C1(B(O)O)CCC1	2247879739	VLCHBBVYWCMIAL-UHFFFAOYSA-N	239.040	-0.871	50	10	BBGE	
NCC1(F)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247886388	BFHSACAMJSRAFV-JGVFFNPUSA-N	244.075	-0.861	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1(CO)CC1	2247887183	LFEHFIZOTSDWRU-CIUDSAMLSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@]12CCOC[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2247887903	TUFHMBSYVILKPT-FTYOSLGDSA-N	239.080	-0.608	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1c[nH]nc1B(O)O	2247893824	YZAGCNCDRAWIBG-BQBZGAKWSA-N	237.068	-0.898	50	10	BBGE	
COC[C@@H](C)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247898120	ANTVNPVGXKTJSV-GUBZILKMSA-N	243.112	-0.020	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC(C(=O)O)C1	2248592501	CJFQXZDFMMKSCF-RLXKETGRSA-N	241.052	-0.829	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H](CF)C1	2249433465	MLUVEXNRINUOPS-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCn2cncc2C1	2249735523	CDRUCOXKHXCVLC-RKDXNWHRSA-N	235.052	-0.912	50	10	BBGE	
C#CC[C@H]1CCCN1c1cc(B(O)O)ccn1	2249997075	PDCLUJVGOHLHOR-NSHDSACASA-N	230.076	-0.247	50	10	BBGE	
CCC(=O)c1cnn([C@@H](COC)C(=O)NN)c1	2250484367	DIKLMIQXCNXLER-QMMMGPOBSA-N	240.263	-0.347	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2coc(B(O)O)c2)C1	2255450083	TVIADQQEOULEFZ-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](c2ccncc2)C1	2255466028	SCGAYFHBYQQPBM-LLVKDONJSA-N	244.059	-0.587	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ncncc1B(O)O	2255521084	RQVXUBVABQBHIK-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
CCC1(C)CN(C(=O)c2cncc(B(O)O)c2)C1	2255533114	YDGVKVXADSYVRK-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255548559	MXIBMTBNCKSRCP-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CC=CC1	2255549544	XPOGOHIWPKOLMY-ZETCQYMHSA-N	249.079	-0.826	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCn2nccc2C1	2255567654	DKZRLACHGWZVSL-UHFFFAOYSA-N	249.079	-0.522	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1C[C@H]2C[C@H]2C1	2255683521	XUXCDSGTZOPQLX-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)cn1CCC	2255688955	CGXQQPJWHJTKGM-VIFPVBQESA-N	248.091	-0.671	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1ccc(B(O)O)cn1	2255710476	LDBVKDKZCRTUTD-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1ccoc1B(O)O	2255715018	ZKBFXDVZARYRID-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H]2C[C@@H]2C)n1	2255724924	JGXNHDGAJXCQPQ-CBAPKCEASA-N	248.091	-0.544	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)c(OC)c2)C1	2255760734	VPFBYAKHHMGCKV-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CC2)c1c[nH]nc1B(O)O	2260531201	KLLYRNRLQGHWCZ-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	2298004443	GAWFNHVCGMKDLJ-PPRSSJNSSA-N	239.319	-0.542	50	10	BBGE	
C[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463551	KNTUKLDNZIEGEW-HEZDBXPZSA-N	241.052	-0.924	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC[C@H]1O	2298632252	PTGFXGKMWGXNRD-CDLYGTGVSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@H]1CNCC12CC2)C1(B(O)O)CC1	2299726111	HNLYVMICZIDYDN-MRVPVSSYSA-N	238.096	-0.891	50	10	BBGE	
C[C@@H](CF)N(C)c1ccc(C=O)c(B(O)O)c1	2301420317	DEWAWZXOCOEWEM-QMMMGPOBSA-N	239.055	-0.027	50	10	BBGE	
C[C@H]1CC2CC(CN(C)C(=O)C(=O)NN)(C2)O1	2303046984	CYFZMEPXQPKQES-JYPKXMCJSA-N	241.291	-0.608	50	10	BBGE	
COC[C@H](OC)C(=O)N1CC[C@@](C)(B(O)O)C1	2303108828	LDXAYNHHLXADAO-WCBMZHEXSA-N	245.084	-0.887	50	10	BBGE	
C=CC=CCCN=c1cc(B(O)O)c(F)c[nH]1	2303834430	GAQFASUXZCHZEN-UHFFFAOYSA-N	236.055	-0.133	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC[C@@H](O)C2)ncc1F	2303834756	LIRYMWUEKZBGBF-NKWVEPMBSA-N	240.043	-0.774	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1n1cnc2c(B(O)O)ncnc21	2317087405	DKYAMILVLIIVDY-QMSLJYSESA-N	246.079	-0.277	50	10	BBGE	
CCNC[C@H](C)Oc1ccc(B(O)O)cc1C#N	2317153311	KNMKUXWCZHKWCA-VIFPVBQESA-N	248.091	-0.385	50	10	BBGE	
CNC=C(C#N)C(=O)N[C@H](C(=O)O)C(C)C	2324993967	OEDJTEOVHBCNSH-QMMMGPOBSA-N	225.248	-0.161	50	10	BBGE	
CC(C)C[C@@H](N)C(=O)NNC(=O)C1CC1	49815372	OMYGUVZYKHHXRF-MRVPVSSYSA-N	213.281	-0.083	50	10	BBGE	
CCn1nc2c(c(C(=O)NN)c1=O)CCC2	77067198	ZVALKDHKXWCXCT-UHFFFAOYSA-N	222.248	-0.645	50	10	BBGE	
NNC(=O)c1cc(CO[C@H]2CCOC2)on1	82465483	YQEVRXLFAQDKDD-LURJTMIESA-N	227.220	-0.416	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cc(C(=O)NN)no1	82468179	UZQUMITZQARQQH-ZCFIWIBFSA-N	228.252	-0.909	50	10	BBGE	
C[C@H](CCC(=O)NN)n1ccc(C(N)=O)n1	82877948	GNNUHLRVBHFVQC-ZCFIWIBFSA-N	225.252	-0.687	50	10	BBGE	
CCS(=O)(=O)N1CCOC[C@H]1N=C=O	83877885	FSUXYPXPBTZXAM-ZETCQYMHSA-N	220.250	-0.670	50	10	BBGE	
C[C@H](CN1CCCCC[C@@H]1CO)C(=O)NN	125034376	XBBRQHAWFPATRZ-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)[C@H]1CCN(c2cccc(B(O)O)c2)C1	202760302	LTRNLWJXONFVIP-VIFPVBQESA-N	249.075	-0.634	50	10	BBGE	
Nc1cc(B(O)O)cc(C(F)(F)F)n1	206058608	CMOFMLDNOONZSI-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSC[C@@H]1C	232420282	GXHGMIOPJRPBRH-YUMQZZPRSA-N	233.337	-0.571	50	10	BBGE	
CCOC(=O)C[C@](O)(CCl)C(N)=O	238255890	GLTFVUDODPHLAY-ZETCQYMHSA-N	209.629	-0.605	50	10	BBGE	
O=S(=O)(CCl)N1CCC2(C1)OCCO2	307640153	DSRYTESVMGEVCL-UHFFFAOYSA-N	241.696	-0.039	50	10	BBGE	
C#CCNCC(=O)NNC(=O)C1CCC1	308864652	DLHNDYQUTGEGCY-UHFFFAOYSA-N	209.249	-0.843	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC1CC1	308888069	WMNIRNGLGJKPSR-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CC(=O)N(C)C)NC(=O)NC(=O)CCl	309457266	RBQLKRWXAZKBOK-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCN(C)C[C@@H]2C1	310553787	XIZFOLHGKUSFOP-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
Cc1cc(OCc2cnn(C)n2)ccc1B(O)O	310984333	KDMFMSOMIXYBEZ-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(CCN(C)C2)C1	381537377	HGEIZMFGVXNVJX-KOLCDFICSA-N	226.324	-0.608	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CN2CCC1CC2	383348913	ZLYRWEKZDPCDQE-NSHDSACASA-N	240.351	-0.218	50	10	BBGE	
CC1(O)CN(Cc2ccccc2C(=O)NN)C1	384063736	QTGBDPIGUJRZGU-UHFFFAOYSA-N	235.287	-0.143	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCCCO	384820777	MPNJEHNZLRHGHG-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CCOC[C@@](C)(O)C(C)=NNC(N)=O	389055558	ZDTAHIYCQXATRN-MRVPVSSYSA-N	203.242	-0.182	50	10	BBGE	
CCC(=O)c1ccc(C(=O)O)cc1B(O)O	396131474	DMYDDJDTRIRGCN-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
CC[C@@H](SC[C@H]1CN(C)CCO1)C(=O)NN	400778726	OKPYJIDGGPGSTJ-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CCC(=O)NCc1sccc1B(O)O	404908219	GJJRFBZRSFEJOT-UHFFFAOYSA-N	213.067	-0.546	50	10	BBGE	
CCN(CC)CC(=O)N1CC[C@@H](B(O)O)C1	585069464	MTCAIJSIXHBPQH-SECBINFHSA-N	228.101	-0.597	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(C)CCOC1	687519585	MVGLOJUAZNGGHZ-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
NC(=O)NNC(=O)c1cccc(C(N)=O)c1	700847056	CTCXNKGCMDEYHB-UHFFFAOYSA-N	222.204	-0.901	50	10	BBGE	
Cc1c(C[C@@H](Cl)C(N)=O)nnn1C	701472797	HKELIUYJTYWKIX-RXMQYKEDSA-N	202.645	-0.241	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1csnn1	703423537	CYRXQHOLGCFYBC-RNFRBKRXSA-N	239.256	-0.046	50	10	BBGE	
Cc1cnc(CCn2ccc(B(O)O)n2)c(C)c1	703770835	VZVWOFMISHASKX-UHFFFAOYSA-N	245.091	-0.183	50	10	BBGE	
CC(=O)NNC(=O)CN(CCCO)C(C)(C)C	707932002	HRHARCAXDPMKBD-UHFFFAOYSA-N	245.323	-0.363	50	10	BBGE	
NS(=O)(=O)C1(CNC(=O)CCl)CC1	714038445	ZWANACLGTALEDR-UHFFFAOYSA-N	226.685	-0.838	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CSC1	718346112	VDMRQBWENKFMHM-UHFFFAOYSA-N	238.077	-0.937	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)Nc2ccc(B(O)O)cc2)C1	718527604	PVJJMZGNFKTJOK-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
C=C(C)C[C@H](NC(C)=O)C(=O)NN(C)C(N)=O	831519816	QQQRTHSAMAUCPJ-QMMMGPOBSA-N	242.279	-0.501	50	10	BBGE	
CC1(C)CN(CC(=O)NNC(=O)C2CC2)C1	847285443	LEWCOGGTLOGJJU-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
CN(NC(=O)[C@@H]1COCCO1)c1ccccn1	862752429	ORXWAARJXOUDLI-VIFPVBQESA-N	237.259	-0.036	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N(C)CC(=O)NC	1135769549	AFXMOWCMYVCWMA-BQYQJAHWSA-N	225.248	-0.365	50	10	BBGE	
COc1nccnc1NNC(=O)Cc1cnc[nH]1	1142351583	LZZKDKSYERUADS-UHFFFAOYSA-N	248.246	-0.106	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NN(C)C(N)=O	1262015098	BJIZHXSGJQMRGJ-SSDOTTSWSA-N	228.252	-0.961	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cnn(CCF)c1	1334886999	RRSMYYCKBOSWST-UHFFFAOYSA-N	242.210	-0.524	50	10	BBGE	
NC[C@H](CO)NC(=O)C1CC(Cl)C1	1876257096	RMPQLFONOFLQRZ-KPGICGJXSA-N	206.673	-0.560	50	10	BBGE	
N=C(N)NC(=N)NC[C@H]1C[C@@H]1Br	1881348943	LGSPNIBSJQOALY-DMTCNVIQSA-N	234.101	-0.223	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1CC1(F)F	1882504117	DPVBPZDNBVMMHD-REOHCLBHSA-N	202.107	-0.007	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)C2COC2)C1	1884429165	QDJKQUMCSQPTIO-HTQZYQBOSA-N	218.684	-0.330	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COCCF)O1	1886033966	TWCBDJQXCZMJSJ-NKWVEPMBSA-N	206.217	-0.490	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1C(=O)NN	1887053230	IOKZNPZPCTWIQP-YFKPBYRVSA-N	202.214	-1.000	50	10	BBGE	
CN(C)C(=O)[C@H]1COCCN1C(=O)F	1887185649	BCFPPBQKMXSCLI-ZCFIWIBFSA-N	204.201	-0.135	50	10	BBGE	
NC1CC(O)(C(=O)NC[C@H]2C[C@H]2Cl)C1	1893109266	YAEWAACDLBCETB-DOBFWROPSA-N	218.684	-0.418	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)S(=O)(=O)C1CC1	1893854302	KCTBTABICXGAEU-LURJTMIESA-N	235.309	-0.821	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ncc(B(O)O)cn1)C2	1895126662	XCIRDVUQHNPCTL-OIBJUYFYSA-N	219.053	-0.997	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1C=CCN1	1901344503	RFGFYCASGWEODJ-QMMMGPOBSA-N	247.320	-0.783	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)C1CN(C)C1	1901760883	AHUYHTWAKSJRRE-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
COCC1(CNS(=O)(=O)CCl)COC1	1902449595	WXXWGIIEGDSGOG-UHFFFAOYSA-N	243.712	-0.235	50	10	BBGE	
C[C@@H](O)CN(CCC(=O)NN)C1CCCC1	1902645271	KIBVBGQCTRZZME-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
Cc1cn(C[C@H]2C[C@@H]2C(=O)NN)c(O)n1	1927913270	HIGXIIDJJBIRIG-RQJHMYQMSA-N	210.237	-0.477	50	10	BBGE	
CCOC1CC(CC(=O)NNCCO)C1	1929838537	OYFVVCFNXUPCGZ-UHFFFAOYSA-N	216.281	-0.195	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)[C@H](F)C1	1929912496	ICFKIQQBHOADTN-LXGUWJNJSA-N	219.260	-0.985	50	10	BBGE	
OB(O)c1ccn(CC2[C@H]3CCC[C@H]23)n1	1930482471	BNGLSAOHRTXELW-YUMQZZPRSA-N	206.054	-0.391	50	10	BBGE	
FC[C@H](Cl)CNCCn1cnnn1	1930554834	COWHPMWBOSTEAE-LURJTMIESA-N	207.640	-0.160	50	10	BBGE	
NNC(=O)N1CCCNC(=O)C(F)(F)C1	1932356435	NXFCGCGHGAUSET-UHFFFAOYSA-N	222.195	-0.973	50	10	BBGE	
NNC(=O)C[C@@H](N)COCc1ccccc1	1932546395	KMWDJHQMWSZVSS-SNVBAGLBSA-N	223.276	-0.090	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@@H](C1)C2(F)F	1936093311	CVPZXZZMXRYLCW-WCTZXXKLSA-N	231.246	-0.191	50	10	BBGE	
CCn1nnnc1SC[C@@H]1C[C@H]1C(=O)NN	1936094738	PNTPQMHRHORHKU-NTSWFWBYSA-N	242.308	-0.589	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)c(C)n1	1941088257	PEPBNGAICLXOCE-IUCAKERBSA-N	236.275	-0.514	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]2COC[C@H]21	1941090303	NTISREZUAVWGJQ-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083438	KSRCHVGSHKCUKF-HBNTYKKESA-N	241.335	-0.152	50	10	BBGE	
Cc1ncc(O[C@H]2CCCOC2)cc1B(O)O	1944010235	APOQXYQPQVYRGP-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cn1cc(C(=O)NCB(O)O)c(C(F)F)n1	1951322037	QQJKAIDOACRBKL-UHFFFAOYSA-N	232.983	-0.901	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@H](CO)CO1	1954312431	XCFWBEGYXXUETO-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@@H](O)C[C@@H]1O	1956249796	ZWFLLPIMWFJLIT-QYNIQEEDSA-N	243.712	-0.971	50	10	BBGE	
CC(C)N1CC[C@@H](N(C)CC(=O)NN)C1	1958581687	QWOWUUZEWJNAGA-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
Cc1nc([C@@H]2CCN2CC(=O)NN)no1	1958700390	BAPKXVDKLLQHOI-LURJTMIESA-N	211.225	-0.885	50	10	BBGE	
CCN(C)C1CCN(CC(=O)NN)CC1	1961463839	UTTNOTQYOSMLNL-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
COC[C@@H](C)N(C)c1nc(B(O)O)cs1	1961718957	WETIIEKUNOHXQY-ZCFIWIBFSA-N	230.098	-0.706	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1961773858	KDSWIVVREALUTP-OBCZXFEGSA-N	213.281	-0.933	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	1975089568	WQCOKLQTUWZIIB-BZNPZCIMSA-N	213.281	-0.790	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC12CCN(C)CC2	1980825988	OLBCHHYHBVENPZ-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)C[C@@H]1C	1981200172	SIZCBQIULHVPPI-ZETCQYMHSA-N	227.264	-0.793	50	10	BBGE	
C[C@H]1CCCCN1c1ncncc1B(O)O	1981414790	WCRPCMWIGHKSRZ-QMMMGPOBSA-N	221.069	-0.465	50	10	BBGE	
NNC(=O)COCCN1C[C@@H](F)C[C@H](F)C1	1985766570	FEKFOBPVIVUHAS-YUMQZZPRSA-N	237.250	-0.625	50	10	BBGE	
O=C(F)N1CCc2cccc(B(O)O)c2C1	1987565424	UCPWRXNLVCHNSP-UHFFFAOYSA-N	223.012	-0.186	50	10	BBGE	
CC1(S(=O)(=O)N[C@@H]2CCC=C2B(O)O)CC1	1991328487	FQWPFANELGPXGL-MRVPVSSYSA-N	245.109	-0.441	50	10	BBGE	
C=C(CN(CC)Cc1ccnn1C)B(O)O	1992147200	ZZHPPMXXUSOIRH-UHFFFAOYSA-N	223.085	-0.190	50	10	BBGE	
NNC(=O)NC[C@]12CCC[C@@H]1CS(=O)(=O)C2	1993710272	LOKDGJRVLFYXPV-APPZFPTMSA-N	247.320	-0.626	50	10	BBGE	
COC[C@H](O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)C(=O)NN	1995620826	PNMBLOAFMHIADB-BWTWBLBVSA-N	226.276	-0.338	50	10	BBGE	
CCN(C[C@H]1CCOC1)[C@@H](COC)C(=O)NN	2003784713	MQVJWXUIRSJGND-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1C[C@@H](C)CN(c2ncc(B(O)O)cn2)C1	2004912480	UGXSSXSHRXGTIA-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
C[C@H](COCc1cc(C(=O)NN)no1)N(C)C	2007006913	ZNMPSUHINZEVFB-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C(=O)N(C)C)C1	2008309174	XBVXNLLTIMNABL-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCCN(C)C	2008549377	YPHMEEUAIPQWMO-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@@H](O)C2)C1	2010834883	IFSQCWXDPUFMMY-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC[C@H](CO)C2)C1	2010836153	WZFFHQHRTOJQLW-VWYCJHECSA-N	241.335	-0.293	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCC[C@@H](C1)OC2	2021103268	DDWFDBJNDSMXMP-ONGXEEELSA-N	237.064	-0.923	50	10	BBGE	
C=C(Cn1cc(C(F)(F)F)cnc1=O)B(O)O	2021159531	UYKHPNXJFRPQRG-UHFFFAOYSA-N	247.969	-0.170	50	10	BBGE	
Cc1oc(C)c(C(=O)NCC#CB(O)O)c1C	2021163960	ABPIXUAQVWSRKB-UHFFFAOYSA-N	235.048	-0.050	50	10	BBGE	
COCCOCOCc1ccc(B(O)O)cc1	2022711480	GNFQOKIQQLSVBS-UHFFFAOYSA-N	240.064	-0.497	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2022761964	YFNCNEZRCHKFJS-SCVCMEIPSA-N	241.335	-0.295	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncc(B(O)O)cn2)o1	2040762762	HVXOOOGIXWENHU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@]12CCC[C@@H]1C2	2040766524	FRXPVVRTEVGIQU-RDDDGLTNSA-N	247.063	-0.715	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@@H]2C[C@H]21	2052467504	RLOQYLNWDHDCAR-FBIMIBRVSA-N	247.107	-0.219	50	10	BBGE	
Cc1nc(CN(C)c2ncccc2B(O)O)co1	2052492280	RFTQLZYBTVCZPA-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c1B(O)O	2052553798	MDANDUHRDATGOO-KATARQTJSA-N	245.091	-0.691	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2[C@H](C)[C@H]2C)n1	2052626861	GLOOCFMTXYPQEV-HTQZYQBOSA-N	249.123	-0.197	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C(C)C)C2)n1	2052626882	YERXBRYKDMGFMG-JTQLQIEISA-N	249.123	-0.053	50	10	BBGE	
CCc1ccc(B(O)O)c(OC)c1OC	2060055658	ZUKQFVVHNXQMBZ-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CCO[C@H]2C1	2065201594	FTZPZCHQTDNVRG-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CCN1CC[C@H](OC[C@@H]2C[C@@H]2C(=O)NN)C1	2212263149	RWVLHLKUZZEUPT-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@@H]1CCOC1	2212263661	WJYQLPQVVKPCSI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1C	2212601496	OTBWQGGIIMDWMQ-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
CC(C)[C@H](O)CNc1cc(B(O)O)ccn1	2212602258	AXWOEKFWZREJTQ-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCOC1	2212604670	YOTDSJQGQANFIB-MRVPVSSYSA-N	222.053	-0.790	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213883368	ISTOQJFZWNRYFP-IWSPIJDZSA-N	247.314	-0.204	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215776374	MKKSUBUVMBIRLJ-JBLDHEPKSA-N	239.319	-0.375	50	10	BBGE	
C=C[C@@]1(C)COCCN1CC(=O)NNC(C)=O	2216652025	SLBYRGOXXPGCIF-NSHDSACASA-N	241.291	-0.569	50	10	BBGE	
COC[C@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2217181115	YLEOKLWYODCFAL-MRVPVSSYSA-N	238.096	-0.814	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CC=CCN1	2217187784	DVDPFKIXKAKGOS-SECBINFHSA-N	234.064	-0.942	50	10	BBGE	
CC[C@]1(O)CCN(c2ccc(B(O)O)cn2)C1	2217204482	KJAQXZFGHUZLOJ-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CCc1cnc(CNc2ncc(B(O)O)cn2)o1	2223633340	VMJHVPTXFDKKDN-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@H]2CNCC[C@H]21	2223638753	MTEXEMFLHRUOOH-KXUCPTDWSA-N	247.107	-0.971	50	10	BBGE	
Cc1cnc(OC2CC3(C2)C[C@@H]3N)cc1B(O)O	2223650432	MGNKINLDZAJHGX-BSTRBVHOSA-N	248.091	-0.672	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@]23CCCO3)nc1	2223666719	KZEUHNWSXBLWAS-KOLCDFICSA-N	249.079	-0.720	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C[C@H]1C1CCC1	2224032833	VVAACFPJSAAIGB-KOLCDFICSA-N	248.091	-0.641	50	10	BBGE	
O=C(NC1CC1)c1ccsc1B(O)O	2241480550	JFUCEOCLGNBQQY-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
COc1ccc(B(O)O)c(OCC(C)C)n1	2243086934	VFWHLQZMQLDMBW-UHFFFAOYSA-N	225.053	-0.195	50	10	BBGE	
O=C(NCc1cnns1)C1(B(O)O)CCC1	2243347265	KFBMWZJFNIELQI-UHFFFAOYSA-N	241.081	-0.449	50	10	BBGE	
CS[C@@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2243349911	SJWMEQHJMCRQRY-DTWKUNHWSA-N	241.121	-0.208	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCCC[C@H]1C2	2243349963	SZYXPPYVYFBCMK-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1	2243356549	JHVRHXVKOQAVIK-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
CCc1nc(C(=O)NC2CC2)c(B(O)O)s1	2243359945	YOMVZHMGCRJTLY-UHFFFAOYSA-N	240.093	-0.723	50	10	BBGE	
O=C(NC[C@]12COC[C@H]1C2)C1(B(O)O)CC1	2243363487	HOUQBHBENNLMMF-VXNVDRBHSA-N	225.053	-0.854	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)NC(=O)C1(B(O)O)CC1	2243364633	ZZMXCKSSZRUKOQ-JGVFFNPUSA-N	229.085	-0.485	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2243382702	QRIOZLKDGQCCNZ-BZNPZCIMSA-N	227.069	-0.610	50	10	BBGE	
CN(Cc1nncs1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392726	WLJKGCKDVNVISI-WDSKDSINSA-N	241.081	-0.641	50	10	BBGE	
CCN(Cc1ccco1)C(=O)C#CB(O)O	2243401274	OSZMPGQHMFDZIK-UHFFFAOYSA-N	221.021	-0.357	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)cc1C	2243404784	UMGANTFFFFTBQK-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccsc1B(O)O	2243408879	WYWGRSQAMPYTKU-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CCC(C)(C)NC(=O)c1nscc1B(O)O	2243409612	LNJXSGFBFMOZKC-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
CN(Cc1cnsc1)C(=O)[C@H]1C[C@@H]1B(O)O	2243426890	NHOLMGPIBDIZQW-YUMQZZPRSA-N	240.093	-0.036	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccccc1B(O)O	2243702678	RGBCMPAFSMMOLN-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
CC(C)CONC(=O)c1cocc1B(O)O	2244217968	VDLNTOUVMALGQZ-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@H](C)[C@@H](C)C(=O)NN	2245131952	IQNWDBVJYXPOQN-IMSYWVGJSA-N	229.324	-0.154	50	10	BBGE	
OCC1(Nc2cc(B(O)O)c(Cl)cn2)CC1	2245913007	KQGPZNWTDCPQRD-UHFFFAOYSA-N	242.471	-0.648	50	10	BBGE	
O=C(NCCN1CCCC1)C1(B(O)O)CCC1	2247733613	BURYKPYZVGCKDZ-UHFFFAOYSA-N	240.112	-0.405	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NOCC	2247751690	AOAAHIVZFOCOOI-UHFFFAOYSA-N	240.068	-0.741	50	10	BBGE	
C#CCO[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247758004	TXJVQNBHGKVQNL-VIFPVBQESA-N	237.064	-0.756	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)C3(B(O)O)CC3)C[C@@H]21	2247759032	YFZAJWOYZLGSEH-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
C/C=C/CNC(=O)c1cccc(B(O)O)c1F	2247759836	XHRMHGKWEMUFDH-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1c(C)cccc1B(O)O	2247760040	ASOHRNMULDPHRC-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1CCC1	2247784207	QUCOCRVENFITEL-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
CC(C)(NC(=O)c1n[nH]cc1B(O)O)C1CC1	2247785335	JITZGAOJRHDVLH-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786855	HMFLZLDDPKXEJZ-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
O=C(NCCC1(CO)CC1)[C@H]1C[C@H](B(O)O)C1	2247803850	DDZROEPSTCAVGN-KYZUINATSA-N	241.096	-0.482	50	10	BBGE	
O=C(NC12COC(CF)(C1)C2)[C@@H]1C[C@@H]1B(O)O	2247805305	AZMYPUCIXMCERM-RHRMWPKMSA-N	243.043	-0.763	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1CC(B(O)O)C1	2247808535	LMQPACWUBJQENO-IDKOKCKLSA-N	240.112	-0.645	50	10	BBGE	
NCC1(CNC(=O)C2CC(B(O)O)C2)CCC1	2247808623	VOZLZVOUJRFZGB-UHFFFAOYSA-N	240.112	-0.515	50	10	BBGE	
O=C(N[C@@H]1CCNC2(CC2)C1)[C@@H]1C[C@@H]1B(O)O	2247809478	PKTJFGBNEFAVHG-HLTSFMKQSA-N	238.096	-0.750	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@@H]1CCO2	2247846751	LTFYLPAGZUARTG-KOLCDFICSA-N	237.064	-0.923	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1CCCC1	2247848122	HLLVDJCLLAJHDH-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC12CCC2	2247848619	OGHWQFDBDNAGFT-UHFFFAOYSA-N	234.064	-0.537	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(F)(F)F)C(=O)C#CB(O)O	2247849301	YJHHIRWLHZZUBJ-NKWVEPMBSA-N	248.997	-0.341	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccncc1B(O)O	2247872715	XQSGSQMXNRWNTN-RDDDGLTNSA-N	234.064	-0.710	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(O)C(C)C)c1	2247873099	DZZITCKELMAMBA-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=C(F)CC1	2247879306	SIPOAURXLGUZFO-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893126	MRUFJNMHKNYEBU-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)CN1	2247893792	YLMDQHFFGNDWHT-LGUIWLBCSA-N	240.112	-0.646	50	10	BBGE	
CCN1CC(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897990	ZFWYXKPFVIVAKX-ZJUUUORDSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247899631	OYOSERVIAWFKOG-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
O=C(O)CC1(NC(=O)C2CC(B(O)O)C2)CC1	2248574936	WKXBCSWFIWBISR-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
CCCN(CCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248588517	DKELLRSDFVBXHX-JGVFFNPUSA-N	243.068	-0.437	50	10	BBGE	
COCCCCCOc1cc(B(O)O)ccn1	2249956732	AKKXMMVKKAXNEQ-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1ncccc1B(O)O	2255519648	ZZOHJVBIZQJCHX-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2255531131	OWLLLSCRZKRIRW-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1c[nH]nc1B(O)O	2255570712	INAVGXOZNVUITM-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2255725125	KVXCORSUTUUJBQ-DTWKUNHWSA-N	246.075	-0.757	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(C)c(B(O)O)c1	2255736280	KCZJINIXAORNQV-LLVKDONJSA-N	245.087	-0.019	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC[C@H]2C[C@@H]21	2255954088	SLLGWSBSJFXQGP-XVKPBYJWSA-N	247.059	-0.694	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256015508	VVZDUCNGFMREGA-QMMMGPOBSA-N	247.059	-0.622	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1cc(B(O)O)co1	2258138185	HEGXNDVLYHFZJR-RKDXNWHRSA-N	249.075	-0.122	50	10	BBGE	
O=C(CCl)N1C[C@H]2OC[C@H](CO)[C@H]2C1	2297075237	XSEOUEANRZFFPM-XLPZGREQSA-N	219.668	-0.309	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2OCC[C@@H]2C1	2298166155	XCHNNCUMROOGQN-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2298375253	BTMFFGCUFBMJQI-QEYWKRMJSA-N	240.112	-0.648	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300370828	NHKOXMPWOVYUJL-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
N#CCCC1CN(c2ccc(B(O)O)cn2)C1	2300535737	UIANIDVYHIKDLA-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
CC=C(C)C(=O)Nc1ncc(B(O)O)cc1F	2301716396	DRYKIHMCSJPNDJ-UHFFFAOYSA-N	238.027	-0.195	50	10	BBGE	
CCN(CC)C(=O)CCN1CC[C@H](B(O)O)C1	2303093683	BTJZAVRQGSYDSL-JTQLQIEISA-N	242.128	-0.206	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1cc(B(O)O)c(F)cn1	2303834514	HVQNYVSZTPNNHL-SFYZADRCSA-N	238.071	-0.007	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317167363	GTLLLELBJIEEOP-KWQFWETISA-N	246.075	-0.633	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@H]1CC[C@H]1N	2317312529	ISKPSPOZQVRKQM-NEPJUHHUSA-N	248.091	-0.895	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)c1ccccc1B(O)O	2318632137	PEEJSXNGEQOAOK-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
NNC(=O)Cn1c(=O)oc2cccc(N)c21	74405107	IVXPMOYDDBOGMN-UHFFFAOYSA-N	222.204	-0.833	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(=O)CC1	82469040	KJPAIVGQCCBRMB-MRVPVSSYSA-N	213.281	-0.190	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)N1CCOCC1	83211573	NBSLCLISVPXMEF-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(N)=S)O1	88143345	NZEKGJUXSCPCBO-WHFBIAKZSA-N	203.267	-0.582	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCCC[C@@H]1CO	124389605	RKFJUWDVPKKMMU-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)CN1C(=O)CCSC1=O	125530323	MYUVFIHRGFMHSU-UHFFFAOYSA-N	203.223	-0.938	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2CCCC[C@@H]21	134831200	LLWGTMWLYFHISQ-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NN1CCN(C)CC1	149611958	IDUYGULCUXJPDL-ZETCQYMHSA-N	248.714	-0.398	50	10	BBGE	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N=C=O	157726294	GHMOGFZNMYKXQR-SSDOTTSWSA-N	248.260	-0.406	50	10	BBGE	
COC(=O)CCNS(=O)(=O)CCCl	220257126	LIJRIEXDXUTHOY-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
CCN(CCCCCC(=O)NN)CC(N)=O	231828488	VHDXFASUTMUIJE-UHFFFAOYSA-N	230.312	-0.656	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOC(C)C	232420580	IDZIWJBYANARMJ-SECBINFHSA-N	233.312	-0.652	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cnn(C)c1	234552264	USSRXSKYCSHFQC-ZETCQYMHSA-N	245.666	-0.070	50	10	BBGE	
C[C@H](Br)C(=O)NCCC(N)=O	235432621	UAXKEOVJPFQDRD-BYPYZUCNSA-N	223.070	-0.239	50	10	BBGE	
C[C@H]1CN(C)CCN1[C@H](C)CC(=O)NN	235650144	LAGGDZHABKMHEV-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
Cn1nnc(CN2CCO[C@H](CCl)C2)n1	236093552	ICSICXSBHCAYJM-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
Cc1nn(-c2ccsc2)cc1B(O)O	238537177	UNRXPHGWZSYCIT-UHFFFAOYSA-N	208.051	-0.078	50	10	BBGE	
NNC(=O)[C@H](F)Cc1ccc(O)c(O)c1	238555932	UYMUCYJVMTVCLO-ZCFIWIBFSA-N	214.196	-0.032	50	10	BBGE	
OB(O)c1ccc([C@@H]2CCCN2)c(F)c1	238645345	AQYNMKXDXGZJDR-JTQLQIEISA-N	209.029	-0.070	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@H](C)COC	249973648	POHKTOLFIBKHRY-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)C1	253178144	HCXXVULHZCTZMX-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@H](CCNC(=O)NN)C1	258675826	DJDJRIIYJSJBAK-MRVPVSSYSA-N	200.286	-0.109	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C)[C@H](C)C(=O)NN	300216541	ROBNCUOBIMKXLX-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
C[C@@H](CCl)C(=O)N(C)C(CO)CO	308130851	DSHSNIPEEQTZFR-LURJTMIESA-N	209.673	-0.327	50	10	BBGE	
NNC(=O)C(=O)NC1C2CC3CC(C2)CC1C3	328454014	MIZFLGBSKSJAAE-UHFFFAOYSA-N	237.303	-0.083	50	10	BBGE	
O=C(CCO)NNC(=O)C(F)(F)Cl	379369235	DHTASGLSNSERJT-UHFFFAOYSA-N	216.571	-0.652	50	10	BBGE	
CNCCCN(C)[C@@H](C(=O)NN)C(C)(C)C	395660811	XYIOWGUKHROJEC-VIFPVBQESA-N	230.356	-0.068	50	10	BBGE	
O=[N+]([O-])c1ccc2oc(B(O)O)nc2c1	396103435	LCQKDZIJHBJGQR-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnns1	400028259	PSQSAWFGNWBPDZ-RNFRBKRXSA-N	243.336	-0.016	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCC(=O)NN)CO1	401367509	BAQMDGWKSXHBJM-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H](C)CO	688388426	RYYURBCCTVUUOY-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
CCN(Cc1cc(C(=O)NN)no1)C[C@@H](C)O	692173865	UCBKXGFVACRSMV-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
C#C[C@]1(O)CCN(C(=O)NC(=O)CCl)C1	708103773	JFJGEXSBJHSCBC-VIFPVBQESA-N	230.651	-0.469	50	10	BBGE	
C#C[C@]1(O)CCCN(S(=O)(=O)CCl)C1	708105087	VGKIKDMQPXYVTM-QMMMGPOBSA-N	237.708	-0.027	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC2CC(N)C2)CC1	718026337	NQCGTDZVQHEJPX-UHFFFAOYSA-N	237.303	-0.009	50	10	BBGE	
C#C[C@@H](CO)Nc1nc(N)nc(CCCl)n1	718216696	FJHLHOYFOOGIEQ-LURJTMIESA-N	241.682	-0.359	50	10	BBGE	
CN1CCC[C@@H]2[C@@H]1CCN2CCCC(=O)NN	720445748	MNBMUBVOGBNAQQ-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	823474948	MSOSNIFYOYKMFS-BZNPZCIMSA-N	242.275	-0.406	50	10	BBGE	
Cn1cc(C(=O)NN=C[C@@H]2CCOC2)nn1	853386355	CTGPTYQXLSVMDU-ZETCQYMHSA-N	223.236	-0.433	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1	907628047	VAQJXPQMPSJELY-RNFRBKRXSA-N	230.264	-0.670	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	1540500456	GFJHNLUYNDHASR-SNVBAGLBSA-N	223.232	-0.287	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ncc(F)cn1	1623197419	OHWQSQMTPATLSS-LURJTMIESA-N	244.226	-0.809	50	10	BBGE	
NC[C@@H](O)C(=O)NC[C@H]1C[C@@H]1Br	1881348960	LMZCPXIUDQEKLM-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1883645320	NPQHBQNCPCVZDR-VPENINKCSA-N	206.629	-0.858	50	10	BBGE	
Cn1nnc(C(=O)NCC#CCCl)n1	1884810576	QAVFJEYPYYMORN-UHFFFAOYSA-N	213.628	-0.818	50	10	BBGE	
OB(O)c1cnc(SC2CCC2)nc1	1885054049	JHFPGCOZGLBAJJ-UHFFFAOYSA-N	210.067	-0.199	50	10	BBGE	
C#CCCOC(=O)NN(C)S(C)(=O)=O	1888561893	LOEQNKKPNUBEDV-UHFFFAOYSA-N	220.250	-0.458	50	10	BBGE	
CN=c1nc[nH]c(=NC[C@@H]2C[C@@H]2Cl)[nH]1	1893098919	LRGOKHWILNUVMK-WDSKDSINSA-N	213.672	-0.204	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cccc(B(O)O)c1	1896329000	ZERAXIFWLATOHM-GZMMTYOYSA-N	222.049	-0.220	50	10	BBGE	
C[C@@H]1C[C@@H](OCc2nc(B(O)O)cs2)CO1	1902658632	QPSYIXOTSYKYEL-RNFRBKRXSA-N	243.093	-0.483	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](C)[C@@H](O)C1)C(=O)NN	1902706423	MLKQTPYKEARSLH-WCABBAIRSA-N	229.324	-0.295	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@@H]2OCC[C@@H]2O1)B(O)O	1910316381	DWPXJVNSZVJBAQ-DCAQKATOSA-N	241.096	-0.567	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911289444	WLPWGWDHJIRSLH-MFDAYCCISA-N	241.335	-0.439	50	10	BBGE	
Cc1nn(C)c(C)c1C=CC(=O)NNC(N)=O	1912089662	UJKKIDZORIXSDJ-UHFFFAOYSA-N	237.263	-0.250	50	10	BBGE	
NNC(=O)CCCCN=S1(=O)CCOCC1	1913868535	YXRAJXRYLRTTMF-UHFFFAOYSA-N	249.336	-0.355	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1(O)CCC1	1914571934	QAPYAAHNJIGUKV-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(S(N)(=O)=O)C1	1915004865	OGHHCWHXPUDENS-BYPYZUCNSA-N	226.685	-0.887	50	10	BBGE	
COCC1CN([C@H](C(=O)NN)C(C)(C)C)C1	1916282061	VZQTZFDOXXYNAY-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H](N)C(=O)N1CC=C(C#N)CC1	1917109863	PQOKSNJUOOVDEA-SECBINFHSA-N	209.249	-0.358	50	10	BBGE	
C#CC1(O)CN(CC(=O)NNc2ccccn2)C1	1917131655	CRGQCCBUIQIMKH-UHFFFAOYSA-N	246.270	-0.795	50	10	BBGE	
O=S(=O)(NCCOCCCl)C1COC1	1923184467	OPCGYOVWKLALQH-UHFFFAOYSA-N	243.712	-0.440	50	10	BBGE	
Cc1nc(SC[C@@H]2C[C@H]2C(=O)NN)n[nH]1	1927918784	XHQGGZLRSWTHJC-NTSWFWBYSA-N	227.293	-0.169	50	10	BBGE	
CN=c1nc(C(=O)NN(C)C)c(Cl)c[nH]1	1928346755	WATDAAHWCHOYIY-UHFFFAOYSA-N	229.671	-0.200	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCO2)O1	1928677255	WORYBDUVVUVSQU-HTQZYQBOSA-N	215.253	-0.839	50	10	BBGE	
C[C@@]12CCC[C@H]1C(=O)N2CCC(=O)NN	1929001541	MJSDNTXTOGCBOO-OIBJUYFYSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H]1CC(C(=O)NNCCO)C[C@@H](C)O1	1929835645	VUYYANFHNGTNPG-HTQZYQBOSA-N	216.281	-0.197	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C[C@H]1F	1932061313	SGNCILOCNBSBDQ-PHDIDXHHSA-N	203.217	-0.817	50	10	BBGE	
C[C@@H](CN1C[C@H]2CO[C@@H](C2)C1)C(=O)NN	1932136328	SKGWJCXEPZEMLU-CIUDSAMLSA-N	213.281	-0.667	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)C(=O)NN)[C@@H]1C	1934293330	XGPLQRLUIWXWTA-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC=CCO2)C1	1938347250	DOMDGTOYPHUHHR-SECBINFHSA-N	225.292	-0.214	50	10	BBGE	
CN(CCn1cccn1)CC(F)(F)C(=O)NN	1940896568	UQVMJUIDRVGJAM-UHFFFAOYSA-N	247.249	-0.560	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(N2CCCC2)C1	1941088110	OWEQARJBYJXNFA-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
COc1cncc(OC)c1[C@H](N)[C@H](O)C#N	1952956559	LXJLYALSOIIQPT-LHLIQPBNSA-N	223.232	-0.017	50	10	BBGE	
CN(C(=O)CCl)[C@H]1CCCNC1=O	1954036399	CHSCEWOVIAXIAT-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CO[C@H](C)[C@@H](C)N1CC(=O)OC(=O)C1	1955629406	LQHGBBVGPGSQFS-RNFRBKRXSA-N	201.222	-0.205	50	10	BBGE	
C[C@H]1C[C@H](OC(F)(F)C(=O)NN)CO1	1956932574	VPRJFFFTDJJHFS-WHFBIAKZSA-N	210.180	-0.237	50	10	BBGE	
OB(O)c1csc(N2CC(CF)C2)n1	1956966234	RTCPKWKRGLHJBM-UHFFFAOYSA-N	216.046	-0.771	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OC(C)C)C1	1958194575	VGMXQOHIJSZMHH-SECBINFHSA-N	215.297	-0.136	50	10	BBGE	
NC(=O)[C@@H]1CN(CCCCl)C[C@@H]1C(N)=O	1960155208	FGXBNXHBKPHNQR-KNVOCYPGSA-N	233.699	-0.866	50	10	BBGE	
CCN(OC)c1nccc(C)c1B(O)O	1961693196	YOQCZDBWEZWSNC-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21)C(=O)NN	1962114279	IKCLBRJNYWGTAR-SQQIUAQRSA-N	209.293	-0.047	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H](O)[C@H]1C2	1974538624	CMTHCBJTBCBOGD-HLTSFMKQSA-N	213.281	-0.788	50	10	BBGE	
CC(C)C[C@@H](OCCN(C)C)C(=O)NN	1974644106	BJDZWYYXEXNLQO-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](COCC(F)(F)C(=O)NN)N(C)C	1974645583	GZSHDDLOKKQNJZ-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1nc(C(=O)NN)cs1	1975981237	BYSXKWHJMIFVAE-YFKPBYRVSA-N	240.288	-0.133	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C[C@H]1CCOC1	1980748348	RKHXMACRWIEOQT-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)CC1(C)C	1981184603	GJPGVOTWNKCUGM-UHFFFAOYSA-N	227.264	-0.793	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCCC[C@H]1O	1981406991	KTSOBVCBCABILJ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CCOC1	1981422385	NXBFAFLDVGYYLN-VIFPVBQESA-N	223.037	-0.762	50	10	BBGE	
Cc1ncnc(N2CCCCC2)c1B(O)O	1981445331	HAZUZGNWHKRTRY-UHFFFAOYSA-N	221.069	-0.545	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@@H]2C)ncc1B(O)O	1981530668	PDTGZTQNKMNABR-RCOVLWMOSA-N	221.069	-0.691	50	10	BBGE	
CC(C)N1CCN(CC(=O)NN)C(C)(C)C1	1982415191	IPGABMPQIPNWNH-UHFFFAOYSA-N	228.340	-0.219	50	10	BBGE	
O=C1C(=O)N(C2CC2)CCN1C[C@H](O)CCl	1986913359	MTRAYHOMLYGUCH-MRVPVSSYSA-N	246.694	-0.581	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CC(C)(C)C(=O)NN	1987530086	PLLLSCCBEHJLAE-DTWKUNHWSA-N	226.324	-0.609	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COC[C@@H]1CC(=O)O	1987644352	VDMJOWCVZIGPEH-BQBZGAKWSA-N	231.252	-0.748	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCCO2)O1	1990165353	XHYKYKQOYKDWDF-DTWKUNHWSA-N	229.280	-0.449	50	10	BBGE	
CN1CCN(c2nnnn2C)[C@H](CCCl)C1	1993933458	OUICFBWODRAKBT-MRVPVSSYSA-N	244.730	-0.041	50	10	BBGE	
OB(O)c1cc(F)cc(OCCC2COC2)c1	1998052433	ZJKACXZVQFWDPH-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCN2CCC[C@H]1C2	2000462396	GKRJRFNALUYDIS-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)C2O	2002479295	ZLMHXQOQSOLMMX-NLSOGMSDSA-N	241.335	-0.296	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCC#N)CC1CC1	2003765790	NXHPQTXTESMGTJ-JTQLQIEISA-N	240.307	-0.383	50	10	BBGE	
CC(C)N1C(=O)CN(C[C@H](C)C(=O)NN)C1=O	2003828951	UCJXJEQYEFJTSO-ZETCQYMHSA-N	242.279	-0.715	50	10	BBGE	
C=C(COc1cc(B(O)O)ccc1OC)OC	2004219514	NXSQMKRSXUBOFH-UHFFFAOYSA-N	238.048	-0.086	50	10	BBGE	
Cc1nc(N2C[C@H](F)C[C@H]2C)ncc1B(O)O	2004977295	YVZGNNSMLIYKSN-HTRCEHHLSA-N	239.059	-0.598	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(=O)NCC1(C)C	2006925916	RAEJKTPDSMVJNI-VIFPVBQESA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]1CNC(=O)CN1CCC(C)(C)C(=O)NN	2010567222	CAUPNZWFDZZAJF-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CC(C)(CN1CCC[C@@H]1C1(O)CC1)C(=O)NN	2013930976	WSYNYALXYQSAKN-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H]2CCCCC[C@@H]21	2017526067	YZABINHQGOAFCT-IUCAKERBSA-N	241.291	-0.464	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccncn1	2020061720	KCUSRBNOJXAUGT-MRVPVSSYSA-N	233.036	-0.693	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1cnco1	2043638709	KDBDUCCZRRDABO-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H](N)[C@@H]3C[C@H]23)CC1	2047466041	NCGIUSFKQIMHMD-ZDCRXTMVSA-N	249.314	-0.153	50	10	BBGE	
OB(O)c1cccnc1-n1cnc2c1CCCC2	2052603853	RWJNJWMPKUPVTF-UHFFFAOYSA-N	243.075	-0.174	50	10	BBGE	
CCc1cc(B(O)O)c([N+](=O)[O-])cc1C#N	2060284143	XWALBPWUBKUXIS-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CCc1ccn(CCn2cc(C(=O)NN)nn2)n1	2063899517	VYYQBLUDXHFQCD-UHFFFAOYSA-N	249.278	-0.659	50	10	BBGE	
CCOC12CC(C1)N(c1ccncc1B(O)O)C2	2065709579	MOHKLTINJPCOHN-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2212611130	VPQCHLDWPZOSOG-DTWKUNHWSA-N	221.069	-0.947	50	10	BBGE	
C[C@@]1(F)CCN(c2cc(B(O)O)ccn2)C1	2212613170	SSECUKNKIXALCD-SNVBAGLBSA-N	224.044	-0.300	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)CC12CCCC2	2212760386	PFAQXUBVILNYRC-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@H](CCO)C1	2215778279	YHOOEJJLTNYIAG-VWYCJHECSA-N	241.335	-0.293	50	10	BBGE	
CN1CCC[C@@H]1COc1ccncc1B(O)O	2215829211	SRSUMWGFYIJSRL-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H](O)[C@H]1CC2	2216280558	UCKJVITTWSSSBY-OPRDCNLKSA-N	241.291	-0.859	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CCC2)[C@@H]1CO	2216495335	NGMUARBRTHRQMO-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217172521	KVHWKFMCFFFVME-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
CN(CCOC(F)F)c1cc(B(O)O)ccn1	2217176646	YXPMWMMHTAWSSZ-UHFFFAOYSA-N	246.022	-0.563	50	10	BBGE	
OB(O)c1cccnc1NCCCC1CNC1	2217178383	VLUUJSKPEOAGFD-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1ccnc(N[C@]23COC[C@@H]2C3)c1F	2217184510	PITJVGKIQBVZPX-QUBYGPBYSA-N	238.027	-0.899	50	10	BBGE	
OB(O)c1cnc(=NCC2CCCCC2)[nH]c1	2217201584	RCCOOWPVOCJANB-UHFFFAOYSA-N	235.096	-0.430	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C[C@H]1N	2220062120	FSNPYKVFACEQEH-ZWNOBZJWSA-N	248.135	-0.465	50	10	BBGE	
OB(O)c1ccnc(-n2cnc(C3CCC3)n2)c1	2223609525	IZPJIPUITKRYIQ-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
CC(C)(CCN=c1ncc(B(O)O)c[nH]1)C1CC1	2223633597	YNCQFAVKNBTFMT-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)c1ncccc1B(O)O	2223637802	HFDMDAHGXHWVPP-GFCCVEGCSA-N	244.103	-0.001	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCNC[C@H]1CC2	2223641379	ALPSQGIPXCVPNE-NXEZZACHSA-N	247.107	-0.908	50	10	BBGE	
OCC12CCC(CC1)N2c1ncccc1B(O)O	2223643870	BLZFLIUIQQJHQJ-UHFFFAOYSA-N	248.091	-0.745	50	10	BBGE	
Cc1c[nH]c(=NCCC2(CN)CC2)cc1B(O)O	2223644627	LUTHGCWVUIWDMB-UHFFFAOYSA-N	249.123	-0.967	50	10	BBGE	
COc1ccncc1Nc1cc(B(O)O)ccn1	2223646510	LNHAZPSGXYXFRW-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
Cc1cnc(N[C@@H](C)CC2CNC2)cc1B(O)O	2223651434	CAGFFMQNKOUUFN-VIFPVBQESA-N	249.123	-0.520	50	10	BBGE	
CC1(C)CC(CCN=c2ncc(B(O)O)c[nH]2)C1	2223652844	MDPRYKLVGSFPIQ-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@H]3COCC[C@@H]32)nc1	2223665906	GDCTXQSYSNKWKF-MXWKQRLJSA-N	248.091	-0.544	50	10	BBGE	
OB(O)c1cccnc1NCc1ccncc1F	2223678369	ATRDGECJKYTTJD-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
CN1CC/C(=N\NC(=O)C(F)(F)F)C1=O	2241878287	JDHBDYDTNNTMRC-NYYWCZLTSA-N	223.154	-0.117	50	10	BBGE	
O=C(NC1CC=CC1)c1ccoc1B(O)O	2243348994	CZEQEELXYHRRPU-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CC(C)S[C@H]1CCN(C(=O)C#CB(O)O)C1	2243361542	CQEDWOMSTNPKEM-VIFPVBQESA-N	241.121	-0.256	50	10	BBGE	
C[C@H](NC(=O)c1sccc1B(O)O)C1CC1	2243361708	FXQDZNZDEIIVGM-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243363888	NWFWLTPCGUQSAE-YUMQZZPRSA-N	229.085	-0.077	50	10	BBGE	
CC[C@H](CCO)NC(=O)C1CC(B(O)O)C1	2243392266	SMNKJDZCDVPZLS-AMDVSUOASA-N	229.085	-0.483	50	10	BBGE	
NC1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243396299	KKYJTXCQFCEXMM-PEBLOWIWSA-N	226.085	-0.765	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243396768	QNPCQFLSRGCPCX-YUMQZZPRSA-N	229.085	-0.531	50	10	BBGE	
CCC1(NC(=O)c2ccoc2B(O)O)CC1	2243407047	KLTXXKNKFQZATD-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CC[C@H](C)CNC(=O)c1nscc1B(O)O	2243410083	VFYFYKFFIXRAQU-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)o1	2243425904	CNGJISMDAOBDNW-OLQVQODUSA-N	225.013	-0.430	50	10	BBGE	
CC1(C)CNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243427073	PUZWQVXHFRNJNV-YUMQZZPRSA-N	226.085	-0.940	50	10	BBGE	
C#CCCC(=O)NCc1cc(B(O)O)cs1	2243678198	GIQGBOJNOGFNMD-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@@H]1Cl	2243696998	GFIGVHQLDIATIF-SVRRBLITSA-N	239.467	-0.068	50	10	BBGE	
C[C@H]1CN(C(=O)c2cocc2B(O)O)[C@@H]1C	2244215850	GVBSEMKMKHLXQF-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
C=CCN(C[C@H]1CC[C@H](C(=O)NN)O1)OC	2244258586	QUCXYTALXVKQIT-RKDXNWHRSA-N	229.280	-0.427	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NCB(O)O)C1	2245265150	CUIYBUNAUNZDHM-RNFRBKRXSA-N	229.041	-0.994	50	10	BBGE	
CN(CCC1CC1)C(=O)c1coc(B(O)O)c1	2247732791	JKEXYPANIYWKCY-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CO[C@H]1CCC[C@@H](N(C)C(=O)C#CB(O)O)C1	2247746534	AINJMJOYHWUITR-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
O=C(NC[C@H]1CCCCNC1)C1(B(O)O)CC1	2247750599	LXARNIJUHIJVPK-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
CO[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247790840	JTGBAXKTTYKOEP-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
CN1CCCN(C(=O)C2CC(B(O)O)C2)CC1	2247796760	CNNZIKNVODLESL-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)O	2247805926	LGIRRVKXOUHVPN-AMDVSUOASA-N	243.112	-0.095	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CC2	2247807089	HFVNZPJDLRWDSS-IWSPIJDZSA-N	239.080	-0.513	50	10	BBGE	
C[C@@]1(N)CCCN(C(=O)C2CC(B(O)O)C2)C1	2247808770	WDEXKQMQQDBLRW-NWGYLPEXSA-N	240.112	-0.421	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]2C[C@H]21	2247847699	ANXPAANYFIEJBD-JGVFFNPUSA-N	235.048	-0.416	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)[C@H](CC)CO1	2247848097	HBYDRNFABBSZKM-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)C1N	2247851583	HANWBXBQKQZZPP-BGZDPUMWSA-N	240.112	-0.709	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2247855414	RRCHJUOGMBCPTE-XFWSIPNHSA-N	239.080	-0.371	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CCC[C@@H]1O	2247879619	WGNIBDDSAXSUCZ-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CCN	2247886417	BIYCHONMOBOENV-UTINFBMNSA-N	240.112	-0.707	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CN	2247887919	TYSNYCQZUXZYLD-KZVJFYERSA-N	240.112	-0.661	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895208	QBFAMSFKKLOKBW-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H](F)C1)[C@H]1C[C@@H](B(O)O)C1	2247911509	WKHPGSZDCQVOJP-KZVJFYERSA-N	244.075	-0.944	50	10	BBGE	
O=C(O)CCC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248573328	CLKQAQPLENEWED-HTQZYQBOSA-N	241.052	-0.828	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2248585103	GMULYVWOZPOQKM-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
CCN(C[C@H](C)C(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248589909	WRSKSQRXCXFYKP-FXQIFTODSA-N	243.068	-0.582	50	10	BBGE	
CC1(NC(=O)c2cocc2B(O)O)CC=CC1	2249420180	QHLIFJBPQXWFBU-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
Nc1ccc(F)cc1C(=O)NCC=CB(O)O	2249935704	WGNNVHAOSHTVFD-UHFFFAOYSA-N	238.027	-0.294	50	10	BBGE	
C[C@]12CO[C@](COc3ccc(B(O)O)cn3)(C1)C2	2254931008	BINODFRPRLOHBN-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1ccc(B(O)O)o1	2255468908	IMDKDKPRYTYTAM-BRPSZJMVSA-N	249.075	-0.313	50	10	BBGE	
C#CCCNC(=O)c1cc(C)c(B(O)O)c(C)c1	2255557400	DUMPKLLZZLXHCY-UHFFFAOYSA-N	245.087	-0.264	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cc(B(O)O)c[nH]1	2255671201	NWNXQUJIUXPIPO-OYJQVNGESA-N	246.075	-0.921	50	10	BBGE	
C=C1CC(N(C)C(=O)c2cc(B(O)O)cn2C)C1	2255691275	CMLMZFSJANCLDK-UHFFFAOYSA-N	248.091	-0.505	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1cccnn1	2255718014	SGWCRBBLGIIDFJ-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
C[C@@H](O)CC(=O)N1CCc2c(B(O)O)cccc21	2256676967	SWSBHQNHVHEAEU-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2258950388	TZLDGDBELNIAEF-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@@H]1[C@@H]2CO	2298376732	LPZXVJWBQNIWEY-HOTMZDKISA-N	239.080	-0.921	50	10	BBGE	
CC[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)CC(=O)O	2298463404	ABSMVYXLMMVMPV-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2C[C@H]2C(=O)O)C1	2303105730	QKBPGRMIDQKSBD-PJKMHFRUSA-N	241.052	-0.828	50	10	BBGE	
CCN(C)C(=O)CCN1CC[C@@](C)(B(O)O)C1	2303122390	DJFGFERTSYFAHI-LLVKDONJSA-N	242.128	-0.206	50	10	BBGE	
C#C[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303835997	GHUBBSPMSVDTMM-MRVPVSSYSA-N	234.039	-0.640	50	10	BBGE	
Cc1cc2c(=O)n([C@@H](C)CC(=O)NN)ccn2n1	2308073114	YZFSSFRQRZEYCO-QMMMGPOBSA-N	249.274	-0.255	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c1F	2312612436	XLVHBOAWQDKSIB-WHQQTDPMSA-N	248.066	-0.255	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@H](O)C1	2317164796	DNALTJARPVDCAE-NSHDSACASA-N	246.075	-0.801	50	10	BBGE	
CC(C)=C(Cn1ccn2nccc2c1=O)B(O)O	2317999041	WYOZUTWSNRXAEW-UHFFFAOYSA-N	247.063	-0.156	50	10	BBGE	
NNC(=O)CSc1nncn1C1CC1	37389236	UBPGEQJEBUYXLB-UHFFFAOYSA-N	213.266	-0.305	50	10	BBGE	
O=C(NN[C@@H]1CCS(=O)(=O)C1)NC1CC1	45297047	WODOJPURXWSZAL-SSDOTTSWSA-N	233.293	-0.860	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1CCO	49801549	ZACSQYRKFNKMHD-JTQLQIEISA-N	243.307	-0.609	50	10	BBGE	
CN(CCCCC(=O)NN)CC(=O)N(C)C	82467365	FDXHRLOQWGZMJK-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
COCCCN(C)C[C@@H](C)C(=O)NN	82469241	RKTWFZAIBSMNPV-MRVPVSSYSA-N	203.286	-0.419	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCOC[C@@H]1N=C=O	83919666	QGYSDGVERABKBW-JGVFFNPUSA-N	245.260	-0.778	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC(C)(C)O	86313745	IUXWXBPWCNTLHI-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
NNC(=O)c1ccoc1CN1C(=O)CCC1=O	110919450	ZIQBCDNPBRKDKO-UHFFFAOYSA-N	237.215	-0.468	50	10	BBGE	
C[C@@H]1CC(OCC(=O)NN)C[C@@H](C)O1	122757107	ZYBCVBFFZASSGN-RNFRBKRXSA-N	202.254	-0.051	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](NC(=O)OC)C1	127350469	PXVYJAULOVJRGV-JGVFFNPUSA-N	244.295	-0.815	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)C1	127604941	FMSVWGQSVMPOQB-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
O=c1ccc(=O)n(C[C@H](O)CCl)[nH]1	157819330	SHGYTKLNGPCEJC-RXMQYKEDSA-N	204.613	-0.864	50	10	BBGE	
N[C@](CCCCB(O)O)(C(=O)O)C(F)F	170145032	QIYCLWKKKPVZJC-ZETCQYMHSA-N	225.000	-0.323	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1Cc1cccc(B(O)O)c1	199009688	RBZJMRQAQVTIDJ-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
NCCCC[C@H](NNC(=O)O)C(=O)O	200030220	JDMNMUFAHQQDMD-YFKPBYRVSA-N	205.214	-0.659	50	10	BBGE	
Cc1cc(OCc2ccn(C)n2)ccc1B(O)O	216048624	ZMRJJDSFVBKTDE-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CC[S@@](=O)CCNS(=O)(=O)CCl	217452554	SGXXUVNYURKOJG-LLVKDONJSA-N	233.742	-0.129	50	10	BBGE	
CCN(CCC#N)C[C@@H]1CC[C@@H](C(=O)NN)O1	223107160	LARMEMQKYCUKOI-UWVGGRQHSA-N	240.307	-0.241	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)CCCCl	230991166	QLMSDQDNHNPQRS-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
COC[C@@H](Sc1ccc(N)nc1)C(=O)NN	232421560	ZFTDWIQGXUZZJK-SSDOTTSWSA-N	242.304	-0.239	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@@H]1O	252918335	CKUTVNOOQCUAOQ-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@H]1O	299915340	RGWUFWBNTGHULF-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
Nc1sc2ccc(B(O)O)cc2c1O	306579976	NXDAEUQQJPBUEY-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=[N+]([O-])c1cc(F)cc(F)c1B(O)O	306911350	QMXWTLXSXRUCOF-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
CS(=O)(=O)n1cc(CCCl)nn1	307079009	NGUWHISLOUCKDB-UHFFFAOYSA-N	209.658	-0.133	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CN(C)NC1=O	307166824	QCDFTTZMMRMQDX-PHDIDXHHSA-N	219.672	-0.677	50	10	BBGE	
Cn1c(N)c(NC(=O)CCl)c(O)nc1=O	308961674	GKTBHIDIDOSKLY-UHFFFAOYSA-N	232.627	-0.755	50	10	BBGE	
CC[C@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	382050496	AGYBNCKTOPIYDT-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
CN(C)C1CN(C[C@@H](O)CBr)C1	382702303	CUFGDGHMTAUNJB-QMMMGPOBSA-N	237.141	-0.012	50	10	BBGE	
CC1(O)CN(Cc2ccc(C(=O)NN)s2)C1	384056755	OTCYHPUJSZWDCQ-UHFFFAOYSA-N	241.316	-0.082	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)[C@@H]1C	385623482	HNWFAHYHZWVNGI-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
Cn1cc(-c2cncc(B(O)O)c2)cn1	389417024	VXWWXDBDDFNYMG-UHFFFAOYSA-N	203.010	-0.838	50	10	BBGE	
C[C@@H](O)CN(CCO)S(=O)(=O)CCCl	393688547	FVPLHTKUCOBJLB-SSDOTTSWSA-N	245.728	-0.770	50	10	BBGE	
C=CCNC(=O)CNC(=O)NC(=O)CCl	393827507	SBUPRCBUHLZRMH-UHFFFAOYSA-N	233.655	-0.647	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1C(=O)O	396132392	KCVNUUKMNAYGME-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
N#CCCc1cc(CC#N)ccc1B(O)O	396134233	AHMPGNJXEYZQRG-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
O=C(O)c1cc2c(O)ccc(B(O)O)c2s1	396381899	LQUYQOVAJGNZFF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnns1	400047799	XRDNIRCPMRSMRE-UHFFFAOYSA-N	215.282	-0.650	50	10	BBGE	
CCC[S@](=O)Nc1ccccc1B(O)O	405167671	ORLJSPASOSETRV-HNNXBMFYSA-N	227.094	-0.148	50	10	BBGE	
CO[C@H]1CN(S(=O)(=O)CCl)C[C@H]1O	686246693	AECIZYYVOQUXEI-RITPCOANSA-N	229.685	-0.796	50	10	BBGE	
N#CC1(O)CCN(c2cncc(CO)n2)CC1	692069146	ODKNDWFHJAHSSV-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
OB(O)c1cnn(COC2CCCCC2)c1	694515076	POJHJILSRZJINX-UHFFFAOYSA-N	224.069	-0.130	50	10	BBGE	
CC(C)(CN1CC2(COC2)C1)C(=O)NN	697131472	APYSTLBEIUKJKL-UHFFFAOYSA-N	213.281	-0.665	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCCl)[C@@H](O)CO	698873831	OYQRQWZKGGUXFO-BQBZGAKWSA-N	245.728	-0.724	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCNC(=O)C[C@@H]1C	707176701	UYAFNWGIQRSAFW-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CN(C)C[C@H](Cl)CNCCn1cnnn1	712537530	FWNWCAKRYKQJEV-MRVPVSSYSA-N	232.719	-0.568	50	10	BBGE	
OB(O)c1ccn(Cc2ccc3c(c2)CCO3)n1	720764268	RUTWXDGVMSOBOB-UHFFFAOYSA-N	244.059	-0.454	50	10	BBGE	
COCCCC=NNC(=O)C(=O)NC1CC1	777430270	QKKVIPOLIRWXMB-UHFFFAOYSA-N	227.264	-0.206	50	10	BBGE	
CCC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	821980386	FAGSPSKGWQXCPO-SECBINFHSA-N	225.292	-0.009	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ccnc(F)c1	907274661	AWPVEYVPUSQLCL-MRVPVSSYSA-N	243.238	-0.204	50	10	BBGE	
CC(=NNC(=O)C(C)(C)O)[C@H]1COCCO1	1338724178	ONGWBNOQRGWRDH-MRVPVSSYSA-N	230.264	-0.335	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C#N)ccn1	1464483907	HUTRHNQFNDAIID-UHFFFAOYSA-N	233.231	-0.083	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1ccnnc1	1469119830	DMTULHHXTRCYGG-KZUAUGPASA-N	236.231	-0.825	50	10	BBGE	
Cn1ccc(C(=O)NNc2nc[nH]n2)c1	1472573820	CRESPWBBYDKBJQ-UHFFFAOYSA-N	206.209	-0.100	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccnc(CO)c1	1570738790	ONYFTRNOMAQZBR-MRVPVSSYSA-N	239.275	-0.469	50	10	BBGE	
C=CCOCC(=O)NNc1nnc(C)c(O)n1	1638093467	BZCBWYAHEOSWAR-UHFFFAOYSA-N	239.235	-0.469	50	10	BBGE	
O[C@@H]1[C@H]2C[C@H](CN(CCCl)C2)[C@H]1O	1882456584	RSIKMTTUSSSWHV-BZNPZCIMSA-N	205.685	-0.101	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1882572727	RUKQHUHDVFZDEJ-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1883634844	OXOYRVZTZSLCTG-ZLUOBGJFSA-N	202.641	-0.382	50	10	BBGE	
NNC(=O)c1coc(COCCF)n1	1886033385	MJUPWHSUJMKWBH-UHFFFAOYSA-N	203.173	-0.236	50	10	BBGE	
C[C@H](CN(C)C[C@H]1C[C@@H]1F)C(=O)NN	1887510053	YQZVSAQLBLZZOG-PRJMDXOYSA-N	203.261	-0.098	50	10	BBGE	
CN(NC(=O)C=CC(=O)Cl)S(C)(=O)=O	1888599400	XDFYVNJSYKWHJH-UHFFFAOYSA-N	240.668	-0.769	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C(C)(C)C	1892436794	VZRZAZHVZPUJRA-UHFFFAOYSA-N	201.270	-0.116	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2CCCC(=O)NN	1901880496	ZFGSQDJLBDBKBX-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
C=C(COC1CC(COC)C1)B(O)O	1906956058	QLTKOWFPGFOXMN-UHFFFAOYSA-N	200.043	-0.004	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCC[C@@H]2C1=O	1906993840	MURIAHGPAHUCEC-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
N#CC[C@@H]1CCN(CCCC(=O)NN)C1	1915062960	LKMOYRUXVBURFC-SECBINFHSA-N	210.281	-0.008	50	10	BBGE	
C[C@@H](CCO)N(C)CC1(C(=O)NN)CC1	1916510355	FXSIMHFRKNOOML-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CC1(C)CC(C)(CNC(=O)C(=O)NN)C1	1928292192	MWBYUUQIFUFLNK-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)C1CC1	1928349386	WGXFAFHQPAQOSC-UHFFFAOYSA-N	209.249	-0.749	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H](C(=O)NNCCO)C1	1929837818	FFJUIOCILOLLSV-RNFRBKRXSA-N	216.237	-0.900	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1931413871	UWXUNXXQVGXNFG-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1932261635	MFUPYQRWTKPNDY-UYAYMFIHSA-N	209.293	-0.046	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@@H](C)C(=O)NN)C1	1933286132	HFASYHXJSVFINZ-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@H]2C1=O	1935428779	XWLNKCWRNIGENR-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
C[C@]1(C#N)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936095489	XQGMVNRMMCWLAY-ATZCPNFKSA-N	222.292	-0.152	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)[C@@H]1CCCO1	1936355590	LIEUQSVYHLTRQU-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC(OCC(N)=O)C1	1936464317	YVRRJJYPZRHXKR-UHFFFAOYSA-N	248.710	-0.036	50	10	BBGE	
Cc1ccncc1OCCOCC(=O)NN	1936532189	VWJDBUJKRHMPIE-UHFFFAOYSA-N	225.248	-0.225	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C(C)(C)C)C1	1938436652	OSWSRGMMRZYUAF-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
COC1CC2(C1)CC(C(=O)NNCCO)C2	1939649292	QKZCQCRFCSRHRJ-UHFFFAOYSA-N	228.292	-0.195	50	10	BBGE	
COC1CC(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1941090400	ZNKXKLTYQLFESK-YIYTYNFBSA-N	241.335	-0.031	50	10	BBGE	
CNC(=O)CC1CCN([C@@H](C)C(=O)NN)CC1	1941399944	DHPKSQNJTBDXDX-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CC1(C)COCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1942416954	WYSDHNVCSCILRH-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
CN(CCn1ccnc1)C[C@H]1C[C@@H]1C(=O)NN	1944475436	LQQYUFHBUWYAHY-ZJUUUORDSA-N	237.307	-0.559	50	10	BBGE	
CC[C@@](C)(OC)C(=O)N1CC[C@H](B(O)O)C1	1951322000	POHCXIIOPZUYRG-WCBMZHEXSA-N	229.085	-0.123	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@H](C)O	1954253063	IOZGQELRGDEAPM-NTSWFWBYSA-N	224.351	-0.178	50	10	BBGE	
Cn1nnc(CN[C@H]2C[C@@H]2CCl)n1	1954308221	OGBJKDGCIASTOK-RITPCOANSA-N	201.661	-0.073	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NNC(N)=S)CO1	1955380084	JUFWVAUPXLFNTI-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12)C(=O)NN	1958420553	YIGUMNAETGEDPE-KGDYZURWSA-N	209.293	-0.047	50	10	BBGE	
CSCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1958881344	NXLSPRGHDCANLP-IUCAKERBSA-N	229.349	-0.093	50	10	BBGE	
NC(=S)NNC(=O)[C@]12COC[C@@H]1C2(F)F	1959175462	ZDNKIVATJLEUOA-DZSWIPIPSA-N	237.231	-0.868	50	10	BBGE	
NC(=O)NC1CCN(C[C@H](O)CCl)CC1	1960162515	DDJNXQHJAVKPPV-MRVPVSSYSA-N	235.715	-0.281	50	10	BBGE	
COCCOc1ncc(Cl)cc1B(O)O	1961697397	WYZUYYHNZUPIQS-UHFFFAOYSA-N	231.444	-0.560	50	10	BBGE	
O=C=N[C@@H]1COCCN1S(=O)(=O)CCF	1974880496	NRXFVYMNEYJENB-ZETCQYMHSA-N	238.240	-0.720	50	10	BBGE	
NNC(=O)C(F)(F)CCSC[C@@H](O)CO	1975105042	WGCKOWZFXHQUEY-YFKPBYRVSA-N	244.263	-0.912	50	10	BBGE	
CCN(CC)C(=O)OCCNC(=O)NN	1975241584	SOJPKHGUOPVBHN-UHFFFAOYSA-N	218.257	-0.362	50	10	BBGE	
OB(O)c1ccn(C2C[C@@H]3[C@@H](C2)C3(F)F)n1	1978367529	VRMZEZXSENFHFA-RNFRBKRXSA-N	228.007	-0.221	50	10	BBGE	
CCC[C@@H]1CCOCCN1C(=O)C(=O)NN	1979821366	MSFRQPRQZWFEHH-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@H](C1)C2O	1979919385	ZRHNHQVPMJBHII-SLHIUPAKSA-N	227.308	-0.541	50	10	BBGE	
CCN(C)C1CN([C@@H](C)CCC(=O)NN)C1	1980601606	MVZFCDNHUZSWPU-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C[C@@H]1CCOC1)C1CC1	1980760560	UZCFDDYWLCFCFU-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(O)(C(F)F)C1	1981253841	GNVIKEMHFPKKHL-ZCFIWIBFSA-N	237.250	-0.687	50	10	BBGE	
CSC[C@H](C)N(C)c1ccncc1B(O)O	1981426630	PEHSLDVUFZLBIJ-QMMMGPOBSA-N	240.137	-0.051	50	10	BBGE	
C[C@H]1OCC[C@H]1Sc1ncc(B(O)O)cn1	1981454081	CTWZXKNZVOYXOP-HTRCEHHLSA-N	240.093	-0.574	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)CCCC(=O)NN	1983641573	YNNNDOBMRTYFFY-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CCCC(=O)NN	1984070308	WTWPJEXHFYMCLE-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
C[C@@]12CCCN(CC(=O)NN)[C@@H]1CCOC2	1984472373	WWDJPHNUDUTNPE-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	1985674509	OEJPBYUQEQGRHJ-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H]2CF)on1	1986085740	AALXLMKZQMCLFX-LURJTMIESA-N	228.227	-0.178	50	10	BBGE	
CC1(Oc2ncc(B(O)O)cn2)CCOCC1	2004928347	DBMFUKXZEHRRFZ-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)[C@H]1C[C@@H]1F	2006985450	AJJZFCTXYHKQET-FSPLSTOPSA-N	241.002	-0.198	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1[C@H]2CCO[C@@H]12	2007594394	FBVFKGZKPOYWHA-VVULQXIFSA-N	237.255	-0.062	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)CC1(O)CCC1	2010572075	KDUXJLVDCOWUAF-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
Cn1cnc2c(NC(=O)C(=O)NN)cccc21	2012295800	GJJPYEPFFFAIQW-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCN2CC[C@H]1C2	2017624967	YDBZBTDNAYOUSS-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
CCN1CCN(CC(=O)NNC(C)=O)[C@@H](C)C1	2019211200	PSKCQKMYKDDMLM-VIFPVBQESA-N	242.323	-0.820	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cccnn1	2020066968	BNYRVTDQXUJGEM-QMMMGPOBSA-N	233.036	-0.693	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(C2CCC2)C1	2021111564	XVQJFCIADLTVPM-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCOCCO2)C1	2021404523	QSQNWOOFSJNWKK-UWVGGRQHSA-N	243.307	-0.344	50	10	BBGE	
C=CCC(=O)NCCc1ccc(B(O)O)cc1	2025203128	GBVGZDLTACDBIH-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
NNC(=O)C(F)(F)CN1Cc2cncnc2C1	2025620996	FTYMJOZAIJBVHM-UHFFFAOYSA-N	243.217	-0.583	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)[C@@H]2CC[C@@H]21	2052472189	KFDICFKGHRYEFF-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
Cc1nc(N(C)Cc2cocn2)ccc1B(O)O	2052627269	JLNLCHWUAODAOX-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CCOc1ccc(C)c(C#N)c1B(O)O	2060203181	WMRJAELHQBMTBP-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1cc(B(O)O)c(C=O)cc1[N+](=O)[O-]	2060268009	FBNRBBATEAOAML-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@@H]2C3)c1	2212611986	GHVOECXMQYKMES-AOOOYVTPSA-N	218.065	-0.107	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C[C@@H](O)[C@H]1C	2214809277	JXRQSPFPZLPGJR-NQMVMOMDSA-N	243.307	-0.755	50	10	BBGE	
CC[C@](C)(CN)N(C)c1cc(B(O)O)ccn1	2217173688	SROXWAQYJWYRNB-LLVKDONJSA-N	237.112	-0.675	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cnn[nH]1	2217175705	MJXLTKKJMDVEHA-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
OC[C@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217177477	JMIAMHIBOZMTGW-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
CC(C)(Oc1cc(B(O)O)ccn1)[C@H]1CCN1	2217191208	BSWAAMTWMXJXFQ-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
CC(C)[C@H](O)CCN=c1ccc(B(O)O)c[nH]1	2217197584	OCCQCOXVKRTVIY-SNVBAGLBSA-N	238.096	-0.998	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@H](C)[C@H]1N	2223637426	FQNBOJOMVXEKTC-LNLATYFQSA-N	249.123	-0.677	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCCNCC1	2223665828	ISHMHUUBEYZLAG-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3C[C@H]2CN3)c1	2223672582	UHFCPRFAITYSAS-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1CC(=O)N1S(=O)(=O)N1CC(Cl)C1	2241354318	WDZKFRPQRXNHNN-YFKPBYRVSA-N	238.696	-0.225	50	10	BBGE	
CC(C)[C@H](OC1(C)COC1)C(=O)NN	2242121493	BSEOWISMQRMAHQ-ZETCQYMHSA-N	202.254	-0.194	50	10	BBGE	
CCc1nn(CF)c(CC)c1B(O)O	2242483982	WQMQXGTWSFHBDD-UHFFFAOYSA-N	200.022	-0.385	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccc(B(O)O)o1	2243350227	XTLDHUJFDIYEQM-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CC1)CSC2	2243356600	KKPKJAPPDOSSNC-UHFFFAOYSA-N	239.105	-0.643	50	10	BBGE	
CCCCN(C)C(=O)c1sncc1B(O)O	2243398374	PWURYAMARGDGKJ-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1N	2243398947	VQYOWTMSOPWTDD-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
C[C@H]1[C@@H](CN(C)C(=O)C#CB(O)O)C1(F)F	2243399279	LHVLNFLQYUTKHJ-NKWVEPMBSA-N	231.007	-0.639	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)C1(B(O)O)CC1	2243409086	AUQKXPPKJGOLLA-MTSMAUNKSA-N	221.065	-0.236	50	10	BBGE	
O=C(NC1CC=CC1)c1nscc1B(O)O	2243409812	PJUXMVVHQZXGCH-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C(N[C@H]1CC12CC(O)C2)C1(B(O)O)CC1	2243410749	HAFMTKWFWJZBMI-CRMOQAEOSA-N	225.053	-0.977	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243419515	ASRKOAHLLIEKNE-KZVJFYERSA-N	229.085	-0.628	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)cs1	2243419907	IULWPOVWJKWPLZ-RNFRBKRXSA-N	237.089	-0.434	50	10	BBGE	
C#CC[C@@H]1CCCN1CC(=O)NNC(C)=O	2244550462	RKEQOQPEFIAOIL-SNVBAGLBSA-N	223.276	-0.359	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2C[C@@H]2C1	2247737778	JTNHFPDQNOMSIO-HTQZYQBOSA-N	234.064	-0.824	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C(=O)C2(B(O)O)CC2)C1	2247753974	KQLXCRMNGPRLMB-HTQZYQBOSA-N	245.059	-0.421	50	10	BBGE	
N[C@H]1CCN(C(=O)C2(B(O)O)CC2)C2(CC2)C1	2247757602	XBOODAPGFLRBBV-QMMMGPOBSA-N	238.096	-0.524	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C(=O)C1(B(O)O)CC1	2247758448	VIFLGLVNWMCYAO-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CC2)C[C@@H]1CO	2247797828	NHVQEMNFZZYNCC-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCCC[C@H]1CO	2247799583	FUUKCCAFAVBBFR-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
O=C(Nc1nnc(C2CC2)o1)[C@@H]1C[C@@H]1B(O)O	2247804903	IREXWZVOAGJZNS-RITPCOANSA-N	237.024	-0.252	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](O)CCC12CC2	2247805220	JVKJLERTJVLKDF-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]1C1CC1	2247850798	TUQMQVHGLDJMLW-SNVBAGLBSA-N	234.064	-0.681	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@@H]2O	2247854561	FEOMOESCGJGZGB-VFCFLDTKSA-N	239.080	-0.779	50	10	BBGE	
O=C(N1C[C@@H]2[C@@H](CO)C[C@H]2C1)C1(B(O)O)CC1	2247872359	QXPZWMYLICOQAA-YIZRAAEISA-N	239.080	-0.920	50	10	BBGE	
CC1(C)CNC[C@H]1NC(=O)C1(B(O)O)CCC1	2247875065	SGCWHRPXCDHSCE-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C(=O)C1(B(O)O)CC1	2247878717	MKEADBPJFWXBIL-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
Cc1cn(C)[nH]c1=NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894322	FQIVBRRQCONFEX-ZKCHVHJHSA-N	237.068	-0.658	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2247898185	BAFCTAKKWWAOTR-LDRYSYKRSA-N	238.096	-0.670	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n(C)n1	2247899409	NEHDSIGQNWQZQG-RKDXNWHRSA-N	237.068	-0.792	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C[C@H](C)O	2248441768	HOVIFQDMIOWOAY-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)[C@@H]1C=C[C@H](NC(=O)C2(B(O)O)CC2)C1	2248587310	OAOGBJNPKVQTHM-RQJHMYQMSA-N	239.036	-0.861	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1O[C@H]2C=C[C@H]1C2	2249418336	RZHXPPVRTNKDOG-YUMQZZPRSA-N	235.004	-0.956	50	10	BBGE	
C[C@H](O)CN(CCOCC(=O)NN)C1CCC1	2250546174	QPYUCDZOFNPNHZ-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2CC23CC3)c1	2255512268	XJIWSQUUISLCKF-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
O=C(NCC=CC1CC1)c1ncccc1B(O)O	2255516408	LNFTZIQOUNASOG-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(F)c(B(O)O)c1	2255692110	SIUZORRLBBMNAI-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255789384	GIKVPRSZESHZGB-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@@H]21	2258121819	ULVQVYIKJUDIRA-NQMVMOMDSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CCCC[C@H]21	2258151947	XCBLQYMJMYIVTF-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)cc2F)CC1	2258948828	DBAVQRPDNWMSJG-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2cccnc2C1	2261368136	DFFKXSBPBWSBHS-ZJUUUORDSA-N	246.075	-0.171	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)C1(B(O)O)CCC1	2300061644	BFAIRPHZNMZWJY-MRVPVSSYSA-N	242.128	-0.127	50	10	BBGE	
C=C(CN1CCc2ncc(C)n2CC1)B(O)O	2300068575	ZQQWEMQQFXTJFT-UHFFFAOYSA-N	235.096	-0.382	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1C[C@@H]1N	2303857750	HMHABHXILMSIAB-JHEQGTHGSA-N	240.043	-0.985	50	10	BBGE	
C#CC[C@H](CO)Nc1ccc(B(O)O)cc1C#N	2317151095	MWEDGLDSDVBLMU-LLVKDONJSA-N	244.059	-0.966	50	10	BBGE	
NC(=O)[C@@H]1CSCN1C(=O)CCl	39055470	MYIZVBUUNYRQLA-BYPYZUCNSA-N	208.670	-0.388	50	10	BBGE	
CO[C@H]1NC(=O)C(OC)(OC)[C@H]1Cl	39347078	YRSKQPLHRGDHDT-CRCLSJGQSA-N	209.629	-0.315	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)CCO1	82467628	ATDYHCLXRGMQKC-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
COC(=O)[C@@H](C)CSCC(=O)NNC(C)=O	85162001	YQVFASMZBLCQHD-LURJTMIESA-N	248.304	-0.304	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@H](O)C1	104111747	KDETZPWKOQHKFQ-WDEREUQCSA-N	235.287	-0.216	50	10	BBGE	
NNC(=O)c1ccccc1Cn1cnccc1=O	104278974	LJYUEAPWFFNTIP-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CC1(C)[C@@H]2C(=O)N(CCC(=O)NN)C(=O)[C@H]21	113667780	BPTBTLCNVMSCSM-BQBZGAKWSA-N	225.248	-0.993	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CCCO	164009165	BNEUOYJJLJWDDR-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CC1C[C@H]2C(=O)N(CC(=O)NN)C(=O)[C@@H]2C1	164681629	ADGUIHZHDKVZNC-RNFRBKRXSA-N	225.248	-0.993	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CCCCC(=O)NN)C1	166157666	BOCKQULLWFZRKW-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CO[Si](CC[C@@H](N)CCN)(OC)OC	196369487	KHLRJDNGHBXOSV-QMMMGPOBSA-N	222.361	-0.069	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCCO1	203130280	GZIAAASGOKFAQX-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCOC2)cc1F	203555969	REZPWXMAUHTOJN-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
CC(=O)NNC(=O)c1cncc(Cl)n1	232557981	JHIDJHQMXGOEKQ-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@@H](C)CC(=O)NN	234384007	RFKFTZXHXJEUOX-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
O=C(CCBr)N1C[C@@H](O)[C@H](O)C1	236540567	YTQKYMQCASWHFA-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
NNC(=O)c1c(F)ccc([N+](=O)[O-])c1N	238557705	MEJLVDNMAVKYPT-UHFFFAOYSA-N	214.156	-0.080	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)OC[C@H]1C	251580206	CIRAZEUGWCEXMM-KATARQTJSA-N	245.323	-0.918	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1CSC(=O)N1	274514855	OBOGCTLHSOFQGC-YFKPBYRVSA-N	246.292	-0.496	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)C[C@H]1C	300354964	LAGGDZHABKMHEV-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	302652235	WBRINYBXJPIMQW-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](N)C1	308242736	NXOLWHUEXGLORY-JGVFFNPUSA-N	200.286	-0.822	50	10	BBGE	
CC[C@](C)(CO)S[C@@H](COC)C(=O)NN	311179830	XAEWFFUINJYMRZ-IONNQARKSA-N	236.337	-0.115	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CN(C)C)C1	382366500	XYYQHCDXAFEEKU-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
N#Cc1cnn(C[C@@H]2CC[C@@H](C(=O)NN)O2)c1	383835022	TZQHAAPIBZKOGR-IUCAKERBSA-N	235.247	-0.708	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)c(F)c2)CC1	394659095	ZFHDVSVZKUZPSA-UHFFFAOYSA-N	238.071	-0.743	50	10	BBGE	
COc1ccc(B(O)O)cc1CC(=O)CCl	396019156	DUWJVGRYCVGKOA-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
O=C(O)c1cc2cc(B(O)O)cc(O)c2s1	396376881	FTVDOMVGMAXGLC-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CC[S@](C)=O)CCC(C)(C)C(=O)NN	399984113	PWCNALWSEDZKIC-INIZCTEOSA-N	249.380	-0.297	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cn[nH]c1	404994382	WVZFMIRWRZDKTL-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
Cc1cc(C(=O)Nc2cc(B(O)O)ccn2)on1	405023874	HBRAPHUUTICPSG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC(=O)Nc1cc(B(O)O)ccc1Cl	405024480	HQGKGUPFJPNWIM-UHFFFAOYSA-N	213.429	-0.022	50	10	BBGE	
CN1C2=CC(=O)C(=NNC(N)=O)C=C2C[C@H]1O	575732352	PAMAFHWPAJOJTP-SECBINFHSA-N	236.231	-0.942	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1	584940559	WBYRLSUNNRBFNQ-OIBJUYFYSA-N	219.049	-0.495	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cnsc1	687178573	TUQDKHIRGLCECE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C[C@@H](C)C(=O)NN	688154269	AIKICNCWOUXKDD-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H](CO)C1	688450497	MMUXFAXXONHVJC-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
O=C1CN([C@H]2CO[C@@H](C3CC3)C2)CC(=O)O1	691930801	ZZNROJBFSKKKME-RKDXNWHRSA-N	225.244	-0.061	50	10	BBGE	
Cn1ncc(C(=O)N2CCC(O)(C#N)CC2)c1N	692147513	CJOCMMKFLDTLTE-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](CO)C1	695085321	CEZMAWKSBQVNPP-UWVGGRQHSA-N	229.324	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@@]2(C)C1	702404974	JDSYNGUNIHOTOZ-FOGDFJRCSA-N	240.351	-0.362	50	10	BBGE	
N#CC1(O)CCN(CCn2ccc(N)n2)CC1	709277592	UCPZNXNGCCWYFV-UHFFFAOYSA-N	235.291	-0.184	50	10	BBGE	
C[C@H]1CC(C(=O)NCB(O)O)C[C@H](C)O1	724375714	MLLPEFRVNPVBSK-BQBZGAKWSA-N	215.058	-0.682	50	10	BBGE	
O=C(Cn1ccnc1)NNc1ncccn1	746116995	QGFAJHVBKXHUIJ-UHFFFAOYSA-N	218.220	-0.184	50	10	BBGE	
O=C(NNC1=NCC(O)=C1)[C@H]1CCCO1	814239025	OMRGOAGNLSHZIQ-SSDOTTSWSA-N	211.221	-0.360	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C[C@@H](C)NC(N)=O	847686745	IFQIOWZQVNEGBO-ZCFIWIBFSA-N	245.283	-0.874	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)c1cnnn1C	888082162	FOOLVIURSSTUET-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
CC1(C(=O)NNC(=O)c2ccnnc2)COC1	1120748591	FQGBSOSOQPGAMQ-UHFFFAOYSA-N	236.231	-0.726	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCOC[C@@H]1C	1322018895	VKCYHNFKMFCDLM-BQBZGAKWSA-N	215.253	-0.381	50	10	BBGE	
Cc1nnc(NNC(=O)c2cc[nH]n2)n1C	1329273928	LMKLMAKZQSUKQD-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CC1(O)CCOCC1	1332148189	KFLMAZFIVFZHGT-SECBINFHSA-N	246.307	-0.738	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cn[nH]c2)c1	1438035646	PMFVZQIUFZQDQV-UHFFFAOYSA-N	233.231	-0.177	50	10	BBGE	
COC(=O)c1cc([C@H]2CC(=O)OC2=O)n(C)n1	1535787173	NUFLVEIKPUGWCR-RXMQYKEDSA-N	238.199	-0.236	50	10	BBGE	
C=CCNC(=S)NNC(=O)C[C@](C)(O)C=C	1587159061	JIEFVOWYHFMDNI-SNVBAGLBSA-N	243.332	-0.005	50	10	BBGE	
NC(=O)[C@H](N)C[C@H]1C[C@@H]1Br	1880113041	RKOSKHLGUNOZPG-MROZADKFSA-N	207.071	-0.028	50	10	BBGE	
CNS(=O)(=O)N[C@H]1C[C@@H](Br)C1	1880297720	SEZHRMMZAFJUHX-SYDPRGILSA-N	243.126	-0.034	50	10	BBGE	
NC[C@@H](N[C@H]1C[C@@H](Br)C1)C(=O)O	1880959323	WWWODHRREOEDKA-NGJCXOISSA-N	237.097	-0.086	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1Br)C(N)=O	1881366208	PMYJSFBMNNWGAV-YUPRTTJUSA-N	235.081	-0.240	50	10	BBGE	
C[C@H](CBr)NC(=O)Cn1cnnn1	1881855105	JTRLQKCAXVNHKJ-RXMQYKEDSA-N	248.084	-0.427	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@@H]1C[C@@H]1Cl	1883639719	OXEBUAUMALASJM-RITPCOANSA-N	204.657	-0.936	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@@H]2[C@H]1CO	1883801678	OMUIWIHTWOAAKD-LYFYHCNISA-N	225.697	-0.175	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)CCl)[C@H]1O	1883811348	HVUZLIDROOVQMX-IYSWYEEDSA-N	207.657	-0.120	50	10	BBGE	
O=C1N[C@@H]2CN(C[C@H](O)CCl)C[C@@H]2O1	1884552136	YPPOHLCIBZNJPV-QYNIQEEDSA-N	220.656	-0.621	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@H](O)C1(C)C	1885615399	AKGDVDYJBIQTBF-QYNIQEEDSA-N	221.684	-0.044	50	10	BBGE	
NNC(=O)NCCC1COCCOC1	1893681171	HVZASFPBVKOGFP-UHFFFAOYSA-N	203.242	-0.788	50	10	BBGE	
O=C(NNCCO)[C@@H]1O[C@H]2CC[C@H]1C2	1893704472	SHGHGLVLDVIBDX-BIIVOSGPSA-N	200.238	-0.833	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1NCC[C@@H]1C	1901343150	AOLNPEVYKOBONT-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)OC1CNC1)S(=O)(=O)C1CC1	1901358756	VDNZDYSRNKZOHD-UHFFFAOYSA-N	249.292	-0.977	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)C1CN(C)C1	1901760886	AHUYHTWAKSJRRE-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]1(C)CCO	1904864856	HAXBHINSVIJDBR-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CCCN(CC)C1CN(C(=O)NN)C1	1905552099	DHPFVZPKVPMYOR-UHFFFAOYSA-N	200.286	-0.014	50	10	BBGE	
C[C@@H]1OCC[C@@H]1COc1cncc(B(O)O)c1	1907750849	MCJGHISQWOLEAJ-DTWKUNHWSA-N	237.064	-0.435	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3(CCO3)C2)C1	1908356854	BXBAFFOGESJAIX-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCC[C@@H]32)c(F)c1	1908818966	DSMJPXALUFXQDF-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@@H](OC)C1	1910474129	VAAOWQYRGHYAOI-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1CO	1911478594	HBRQJFZUSPPSAQ-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H](O)CCC1=O	1914270371	ZIMUJKQOKDNPKH-SECBINFHSA-N	243.307	-0.480	50	10	BBGE	
NNC(=O)CCCN1CCOCC12CC2	1915587116	FKDGZLOQLJVXND-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
C#CC1(O)CN(C(=O)NC(=O)[C@@H](C)Cl)C1	1917121612	KVCKSERKSGFUQA-ZCFIWIBFSA-N	230.651	-0.470	50	10	BBGE	
C[C@H](C1CC1)N(C)CCOCC(=O)NN	1928180014	WQQPGHGWCKLAOK-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)COCCN1CCCCCO1	1928675277	MLGXYJOSZBZRNF-UHFFFAOYSA-N	217.269	-0.590	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3OCC[C@@H]32)CC(=O)O1	1931660748	IKNOSPLRHQHOOX-PRJMDXOYSA-N	211.217	-0.451	50	10	BBGE	
C[C@@H]1CCCN(CCCC(=O)NN)S1(=O)=O	1936230136	NLJIEDVCSGAWDL-MRVPVSSYSA-N	249.336	-0.429	50	10	BBGE	
Cc1ccc(SCCOCC(=O)NN)nn1	1936536505	WNBZAEMAOPXSBC-UHFFFAOYSA-N	242.304	-0.116	50	10	BBGE	
OC[C@]12CC[C@]1(CO)CN(C[C@@H](O)CCl)C2	1936636603	GETQLHJCSOSWBE-HBNTYKKESA-N	249.738	-0.347	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](NC(=O)NC(=O)CCl)C1	1936943475	UDCLULWMZUCSEV-RITPCOANSA-N	247.682	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](C#N)CC1	1942980648	PWXCNKFXIHIYIR-VHSXEESVSA-N	240.307	-0.383	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3(CC3)CO2)O1	1944577129	RORLNZSEOWYVDN-RKDXNWHRSA-N	241.291	-0.449	50	10	BBGE	
CC1(CO)CCN(CC2(C(=O)NN)CC2)CC1	1945890265	BMHFBBJITSVHPB-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
C[C@@]1(COc2cncc(B(O)O)c2)CCCO1	1947443789	YHEHIWYDWINUIW-NSHDSACASA-N	237.064	-0.291	50	10	BBGE	
CCO[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)NN	1948565099	ZHXLWEJVJGXIOP-DTWKUNHWSA-N	243.307	-0.170	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1CCl	1954308079	LYLJNYZAXUBCHV-PHDIDXHHSA-N	225.697	-0.226	50	10	BBGE	
O=C1CN(S(=O)(=O)CCl)[C@H]2CC[C@@H]2N1	1956631267	ZJRYXMRIAKKCDX-WDSKDSINSA-N	238.696	-0.525	50	10	BBGE	
OB(O)c1ccn(CC2(CF)CCC2)n1	1960329287	NCOKYIDFHFUOKB-UHFFFAOYSA-N	212.033	-0.297	50	10	BBGE	
N#Cc1c(F)cc([N+](=O)[O-])cc1B(O)O	1974577923	VFACHIYXHYJUGG-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1976402204	MMOKNRMCRLCHHU-RGOKHQFPSA-N	225.292	-0.667	50	10	BBGE	
C[S@@](=O)(=NCCCC(=O)NN)N1CCCC1	1979785844	YKXRXHBTSMKUKI-MRXNPFEDSA-N	248.352	-0.135	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@@H](C)C(=O)NN	1980748349	RKHXMACRWIEOQT-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC(C)N(CCO)CCC(F)(F)C(=O)NN	1984130850	ZPFIKPRVSZRMNO-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
CC(C)OCCSc1ncc(B(O)O)cn1	1986591874	XIDSGRXMEGQMQD-UHFFFAOYSA-N	242.109	-0.327	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]21	1987061886	PQYWRVBNNHAGPS-OPRDCNLKSA-N	227.308	-0.278	50	10	BBGE	
COCc1nccn1CC(=O)NNC(C)=O	1990776170	GWGBIMIEKXJYCA-UHFFFAOYSA-N	226.236	-0.803	50	10	BBGE	
O=C1N[C@]2(CCNC2)C(=O)N1C[C@H]1C[C@@H]1Cl	1991439015	PKDCUMHSMBEXOM-FWWHASMVSA-N	243.694	-0.102	50	10	BBGE	
NC(=O)N1CC[C@@H](NC(=O)C=CC(=O)Cl)C1	1991648047	KJTUQMZCTBXTNV-ZCFIWIBFSA-N	245.666	-0.423	50	10	BBGE	
CC[C@@H]1CC[C@@H](Cn2ccc(B(O)O)n2)O1	1993521700	AWHOQSZFHPBLHZ-BDAKNGLRSA-N	224.069	-0.480	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](OC)C1	2000969234	WUNOJZCEGWPZAD-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@@H](C)Oc1ncc(B(O)O)c(OC)n1	2004925253	ODHFHCBLOMLKHU-SSDOTTSWSA-N	240.068	-0.268	50	10	BBGE	
Cc1cnc(N2CCC23COC3)c(B(O)O)c1	2005016649	SMLKOBGBNAITSD-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
NNC(=O)NC1CCN([C@@H]2CCCOC2)CC1	2005217128	MSHVQXYGUPNYKO-SNVBAGLBSA-N	242.323	-0.197	50	10	BBGE	
C[C@H](N)[C@H]1C[C@H]1C(=O)N1CCC(O)(C#N)CC1	2006354567	XWKQCSJNNHTDQU-IVZWLZJFSA-N	237.303	-0.153	50	10	BBGE	
CNC(=O)CN(C)C[C@H]1CC[C@@H](C(=O)NN)C1	2010834369	BVBLTCAQYGIPAU-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
COCC(COC)CN(C)CCCC(=O)NN	2022020251	PIKHHMRULMWPJT-UHFFFAOYSA-N	247.339	-0.403	50	10	BBGE	
CCC1CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023852811	ILYSTFKIZDSBGJ-HAQNSBGRSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3cccc(B(O)O)n3)C[C@H]12	2042945754	XXNJXPYJWJTDCJ-RWYTXXIDSA-N	246.075	-0.254	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@H]2C1=O	2050247114	PHSAJWJTCKQYRJ-RNFRBKRXSA-N	249.274	-0.998	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@@H]2CCN(C)C2)n1	2052625578	ZVEBBDCLIKHKCE-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1cccc(Cn2cc(B(O)O)ccc2=O)c1	2058155958	NSUUDTJCFUHPJX-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3COC[C@H]32)n1	2077844622	NLBYSLZCZNCWEW-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
NC(=O)C[C@@H]1CCCN1S(=O)(=O)CCl	2208692199	YNGXPPSYTGPCHW-LURJTMIESA-N	240.712	-0.148	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NNC(N)=O)O1	2209648132	VARGZWLAWFHMJW-RITPCOANSA-N	201.226	-0.357	50	10	BBGE	
CC1(C)NC(=O)O[C@H]1CNC(=O)NN	2210030592	SXQJDGXFFMSVCF-BYPYZUCNSA-N	202.214	-0.954	50	10	BBGE	
CCOCCCSc1ncncc1B(O)O	2211195388	WHKRMFKRMYFRHU-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
NNC(=O)CN1CC(COC(F)(F)CF)C1	2211709051	DNXCFKPCUPIAND-UHFFFAOYSA-N	241.213	-0.513	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1CC[C@@H]1C(=O)NN	2211839173	QQQFRTXMZWPJIP-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCO3)C2)CCC1	2212261251	HPIZRCIZSCZMFB-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
Cc1cnc(Sc2ccc(B(O)O)cn2)[nH]1	2212600495	VXOSCFXJELXMDS-UHFFFAOYSA-N	235.077	-0.056	50	10	BBGE	
C=C1CC(N(C)c2ncc(B(O)O)cn2)C1	2212601125	IXYYYTWXLJONCN-UHFFFAOYSA-N	219.053	-0.689	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)CO1	2212601555	POZUSTVKNWEFPJ-CBAPKCEASA-N	222.053	-0.649	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C(C)(C)N	2212605704	IZUDVPXWVUDTTC-ZETCQYMHSA-N	223.085	-0.701	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCn1cccc(B(O)O)c1=O	2215323842	HAXCSBCGDCEMOO-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CC1(C(=O)NN)CCC1	2216490355	CNJCSZHOYOVZQH-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CO[C@@H](C)COCC1(C(=O)NN)CCOCC1	2216854750	MGGMJDRZGUDZDQ-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
NCC[C@@H](Oc1ccc(B(O)O)cn1)C1CC1	2217187859	FZLASNYRTCKQGD-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](CCN)CCOc1ccc(B(O)O)cn1	2217190575	FFESYNYNXHTBKE-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CNC[C@@H](C)COc1nccc(B(O)O)c1F	2217191998	GMBCKLKPBGFQPT-SSDOTTSWSA-N	242.059	-0.865	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Nc1ccc(B(O)O)cn1	2217196211	QQJDQCOZBMDUSQ-ZJUUUORDSA-N	235.096	-0.557	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cn[nH]c1	2217204404	JJINTPOXPVZRAG-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1c1cc(B(O)O)ccn1	2223638093	JANCZFFYEVBEIF-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(NC[C@@H]2NC[C@H]3C[C@@H]32)cc1B(O)O	2223641592	VACDFBZCMCZHDJ-YWVKMMECSA-N	247.107	-0.910	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CC[C@H]1NC2	2223644333	HWQHPNMQWBYASV-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCCN2)cc1B(O)O	2223649990	GVKGQRMNVHPIEQ-SNVBAGLBSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CCOC[C@@H]2C3)nc1	2223653330	PWSVOHSZXQFFPP-CABZTGNLSA-N	248.091	-0.400	50	10	BBGE	
CC(F)(F)CCNC(=O)C#CB(O)O	2241468226	JNCCXFYKROCXQL-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
Cc1csc(CN(C)C(=O)C#CB(O)O)n1	2243349490	MGWYSSJWBUIRMS-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccsc1B(O)O	2243359180	PZIYUEFXTJTOEV-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
CCCN(CC)C(=O)c1occc1B(O)O	2243364423	WYJOOVFOKKWCEF-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
C[C@@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CC1	2243397482	CAWLZIOAAHDMKD-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2243398468	FFQJBBNQZWPFHC-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
O=C(N=c1cco[nH]1)c1csc(B(O)O)c1	2243407892	BNNFVUFFJIIYBD-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
CC#CCCNC(=O)c1csc(B(O)O)c1	2243408353	LQGURBPFWWJCOQ-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
CON(C)C(=O)c1ccc(C)cc1B(O)O	2243409656	MKDPKCHGLNPAOI-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427555	XGCUFAVFGIQIAV-DKXJUACHSA-N	223.037	-0.756	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C=C[C@H]1C2	2243668378	OCTNHCXANMHNHH-LPEHRKFASA-N	221.065	-0.117	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccoc1B(O)O	2244150659	GLXPBYMRSMKGOU-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1coc(B(O)O)c1	2247733043	LIUJSVWUTGLFEF-SECBINFHSA-N	237.064	-0.026	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1C[C@H]2C=C[C@H]1C2	2247739913	CUKCXKSBTXQCHO-CBAPKCEASA-N	249.100	-0.172	50	10	BBGE	
C#CCC1CN(C(=O)c2ccc(B(O)O)s2)C1	2247747786	SGZDEGWGUJYOSI-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
C[C@@H]1OC2(C)CC1(NC(=O)C1(B(O)O)CC1)C2	2247750671	MRBBHEDUMUZENX-DSXZHNHRSA-N	239.080	-0.180	50	10	BBGE	
CC1(C)CNC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247751195	UREPVCSFTISHDS-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
CN(CC12CC(CO1)C2)C(=O)C1(B(O)O)CC1	2247755831	QYLACAVEAFWKFE-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247786114	WBTSXMPBRZTIBU-KZVJFYERSA-N	244.075	-0.944	50	10	BBGE	
CN(CCOC1CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247791283	MOVXHWNVZPDCMM-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
CCc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)o1	2247810348	WPCFZDUIYDOBTB-JGVFFNPUSA-N	238.052	-0.284	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccc(O)cc1	2247846408	GHEWTXJSBKNGSK-QMMMGPOBSA-N	233.032	-0.415	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)CCC(F)(F)C1	2247847279	UYGPPAFYOZMWRB-VIFPVBQESA-N	245.034	-0.057	50	10	BBGE	
O=C(C#CB(O)O)NC1(CCO)CCCCC1	2247847998	FMWRDRWMSNLYJX-UHFFFAOYSA-N	239.080	-0.797	50	10	BBGE	
CCN(CCNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247852412	UFPIQIITBXAYJG-VHSXEESVSA-N	240.112	-0.550	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CC(O)C2)C1	2247892221	WHKDCZNLIVBBSV-UHFFFAOYSA-N	239.080	-0.777	50	10	BBGE	
C#CCCC(=O)Nc1ccc(F)c(B(O)O)c1	2248434244	WKKJPOZRCGJLMU-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1cccc(B(O)O)c1	2255518758	OKZARBVXVIXIPO-UHFFFAOYSA-N	247.059	-0.483	50	10	BBGE	
C=CC1(NC(=O)c2n[nH]cc2B(O)O)CCCC1	2255547502	NMZKYYMRUTXQKQ-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)CC12CCCCCC2	2255672109	AXVNTIMMQAVSTG-UHFFFAOYSA-N	249.075	-0.146	50	10	BBGE	
Cc1cccnc1CCCNC(=O)C#CB(O)O	2255672810	MAMOXVZQDLRNTO-UHFFFAOYSA-N	246.075	-0.546	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(C)c(B(O)O)c1	2255736915	VZMDZCJFHQSMCB-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(F)cc1B(O)O	2255739459	KUBIHTJWXMHFID-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
N#CCCN(CCC#N)C(=O)C1CC(B(O)O)C1	2255789005	ZKZYTPPCKJKSOB-UHFFFAOYSA-N	249.079	-0.105	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)[C@@H]2CNC[C@H]1C2	2258358270	WEWFHWRLGWIFSO-BZBKMWRSSA-N	248.091	-0.862	50	10	BBGE	
COc1cccc(C(=O)NCCC#CB(O)O)n1	2258962609	INAQMEPANIIJKA-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
C#CCC(=O)NCCc1c(F)cccc1B(O)O	2260958366	QSWXDTXVHWWSKF-UHFFFAOYSA-N	249.050	-0.813	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)C(=O)[C@@H]1C[C@H]1B(O)O	2298371656	RDZXKQSWOCQAMS-DOWZNPNQSA-N	239.080	-0.800	50	10	BBGE	
Cn1cc(CCCN2CC[C@@H](B(O)O)C2)cn1	2303146255	FHPZTKIQZYXIJH-LLVKDONJSA-N	237.112	-0.099	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)c[nH]1	2312856745	OHFXPBZTYKTWOW-HGNGGELXSA-N	248.091	-0.387	50	10	BBGE	
CN[C@H]1C[C@H](Oc2ccc(B(O)O)cc2C#N)C1	2317211653	NDYIHFWPBVRXRB-XYPYZODXSA-N	246.075	-0.633	50	10	BBGE	
CN1CC[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317349388	BOMGZMUJQXGLNV-LLVKDONJSA-N	248.091	-0.705	50	10	BBGE	
CO[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O	35923871	XDYMFLLJHRJOHK-KVTDHHQDSA-N	227.054	-0.526	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1ccnc1C#N	87344558	SAQPVSVARVCRNG-RNFRBKRXSA-N	207.237	-0.058	50	10	BBGE	
N#CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	101638544	FFRLKSMCHGZYQR-UHFFFAOYSA-N	234.171	-0.121	50	10	BBGE	
Cc1oc(Cn2cccnc2=O)cc1C(=O)NN	104107302	SMVIFNIOLCKBRS-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@@H](CO)C1	163066754	NQULZYJVGLBCSO-MRVPVSSYSA-N	239.275	-0.303	50	10	BBGE	
Cc1cc(=O)n(Cc2ccccc2B(O)O)cn1	199003780	ZSVROQJCJPGWLS-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
NC[C@@H]1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1	200599017	NNSZEIYJQFZSNN-WEDXCCLWSA-N	244.100	-0.994	50	10	BBGE	
CN(CB(O)O)C(=O)[C@@H](N)C1CCCCC1	207111195	NFBAIKUQOAQSPP-VIFPVBQESA-N	228.101	-0.636	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](CO)C1	222173789	MERJDOJWOFMWKZ-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](C)[C@@H](N(C)C)C1	226121950	QUUJRYIKEALMPD-YTWAJWBKSA-N	242.367	-0.117	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)Cc1ccccc1B(O)O	226582569	FDQZGUYKFICONP-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)[C@@H]1CO	227214495	HCVDIGUKBFVVPR-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@]1(O)CCCN(CCCC(=O)NN)CC1	230383930	DJMHNRSJSOFXRT-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)S[C@H](C)C1	232420294	ZPBNFDNOYOLBBH-YIZRAAEISA-N	247.364	-0.183	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@](C)(O)C1	235596813	QRFMOBHZXMFTAI-QXFUBDJGSA-N	215.297	-0.542	50	10	BBGE	
CN1C(N)=C(C#N)C2=C(C#N)C(=O)N[C@@]21C	238325630	YXQKLGURLMGWND-SNVBAGLBSA-N	215.216	-0.708	50	10	BBGE	
NC(=O)N/N=C1/C=CC(=O)C(CCO)=C1	238575915	LBOHPKQEBJYFMG-XFFZJAGNSA-N	209.205	-0.542	50	10	BBGE	
C[C@H](O)CCN(C)[C@H](C)CCC(=O)NN	253036279	XCYXKUPUWHUOOL-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCC1	306200254	ICAUXISIKVACEG-UHFFFAOYSA-N	205.066	-0.119	50	10	BBGE	
Cc1cnccc1C(=O)NNC(N)=S	307384569	GMVPZDLEQFDRDK-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
C=CC[S@](=O)C[C@H]1NC(=O)OC1=O	308183624	DTRNEULWCYIUDQ-GMAUIZIOSA-N	203.219	-0.444	50	10	BBGE	
CN(C)S(=O)(=O)N(C)C[C@@H](O)CCl	308222009	OPVFZUMFDJONOZ-LURJTMIESA-N	230.717	-0.676	50	10	BBGE	
C[C@H]1OCCN(Cc2cccc(B(O)O)c2)[C@@H]1C	380309455	SBVHUSXKBHQOMK-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
COC[C@@H](C)N=c1[nH]c(CCCl)nc(=N)[nH]1	381075490	PUTPSMXBPZWSNH-ZCFIWIBFSA-N	245.714	-0.066	50	10	BBGE	
Cc1ccsc1C(=O)NN[C@@H]1CNC[C@H]1O	382031369	UJFGPKHZFNMGKR-HTQZYQBOSA-N	241.316	-0.376	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CC(C)(C)C(=O)NN	384866140	PFYFRIVCQMKLSI-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1C=O	396055685	KLIDGPWZOHUNNF-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398847581	TYMRJQYWQOPKEH-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnns1	400028258	PSQSAWFGNWBPDZ-NKWVEPMBSA-N	243.336	-0.016	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccon1	405061082	PRCBOSRZROASSX-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C#C[C@H](CO)NC(=O)CBr	642847383	GUZGKDZKKGMLBI-RXMQYKEDSA-N	206.039	-0.508	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)[C@H](C)C(=O)NN	687462402	PRSNTOQLMZSQNG-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
Cn1cc(CN2CCC(O)(C#N)CC2)nn1	687818176	IBIUWVGUBLRYIW-UHFFFAOYSA-N	221.264	-0.334	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCC[C@@H]1O	689815944	KLYHIXTYAAOIMJ-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCO)CC1CC1	690925035	AGJRSHNSTUPZAX-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(CC(N)=O)CC1	704344063	JCTYBOXMVHJIEP-QMMMGPOBSA-N	247.726	-0.509	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1O	708050705	KKHDRBXHLMSDPD-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
COC[C@H](Cl)CN(C)CCn1cnnn1	712590113	BPMUZBVVFGTNDW-MRVPVSSYSA-N	233.703	-0.141	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@@H](C1=O)C2(F)F	715550982	SQZJTRKGUUIGHF-NJGYIYPDSA-N	219.191	-0.910	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)CCO1	720476420	SJJVUJJWKLWARD-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CNC(=O)NNC(=O)C1(C(F)F)CC1	843775475	QWTHGBVZEGIWGP-UHFFFAOYSA-N	207.180	-0.008	50	10	BBGE	
N#CSCCCNC(=O)[C@H]1COC(=O)N1	854359001	AGQRIEGLDGXMET-ZCFIWIBFSA-N	229.261	-0.185	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)[C@@H]1CCC(=O)N1	863148554	DXEVBMIDWUMUCX-YUMQZZPRSA-N	227.264	-0.351	50	10	BBGE	
COC(OC)C(=O)NNC(=O)c1c[nH]nc1C	1136675247	PGOUTQYZAYUZOT-UHFFFAOYSA-N	242.235	-0.902	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)N(C)C)co1	1292257316	FNIICLNRZKARNG-UHFFFAOYSA-N	212.209	-0.101	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1ncon1	1304247049	SMVDEVCMFZLWAI-ONEGZZNKSA-N	226.192	-0.619	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)CCOC2	1328335312	ZBIMMGCEHLCTOO-UHFFFAOYSA-N	235.243	-0.312	50	10	BBGE	
O=C(NNC(=O)c1coc(CO)c1)NC1CC1	1442293422	LQHASHVCQAWYTE-UHFFFAOYSA-N	239.231	-0.122	50	10	BBGE	
Cn1ccc(NNC(=O)c2ncn(C)n2)n1	1457820412	LBOAYVZWFXDUKU-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)n(C)n1	1533774346	RIXZMWWHAPCMJB-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
CNC(=O)NNC(=O)CSC1CC1	1543665440	VDGFHJNYPALRLT-UHFFFAOYSA-N	203.267	-0.158	50	10	BBGE	
CC[C@H](C(=O)NNc1nc[nH]n1)[C@H](C)O	1611412435	SJFZNXWRUQAQPI-WDSKDSINSA-N	213.241	-0.345	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1coc(C(N)=O)c1	1627016697	OYKIHJATBYVCLT-UHFFFAOYSA-N	240.219	-0.706	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNc1cccnn1	1631347303	PYNLGMXQZWXWFB-RQOWECAXSA-N	245.246	-0.232	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CC[C@H](O)[C@@H]1C	1653618829	BRNWEAHPYGHMQW-IUCAKERBSA-N	243.307	-0.755	50	10	BBGE	
C#C[C@H](CCl)NC(=O)c1cnn(C)n1	1884831754	TZOWQYJQPJXZED-ZCFIWIBFSA-N	212.640	-0.215	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COCCF)O1	1886033968	TWCBDJQXCZMJSJ-RQJHMYQMSA-N	206.217	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CO)C1	1894735414	GCQZEBSNPMGADI-LPEHRKFASA-N	227.308	-0.683	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cnsc1B(O)O	1900475608	WUNCUJGRSURLHK-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
OB(O)[C@H]1CCN(CC2COCCOC2)C1	1902505095	DCIASOSRLNZOOP-JTQLQIEISA-N	229.085	-0.802	50	10	BBGE	
CN(C)C(=O)CCCN1CC[C@H](B(O)O)C1	1902506520	UPQHZTSQNGYGDX-VIFPVBQESA-N	228.101	-0.597	50	10	BBGE	
C[C@H]1[C@H](C)N(CCCC(=O)NN)CC[C@H]1O	1903284488	RPQUCDIYHPNBFU-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H](OC)C1	1904643375	VMUMOZVJIXWQAR-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
COCC12CC(C(=O)N(C)N)(CO1)C2	1905552770	LISHOPABBLJGCO-UHFFFAOYSA-N	200.238	-0.486	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC[C@H]2C[C@H]2C)n1	1910813144	BCBHQAOHASEAMZ-HZGVNTEJSA-N	236.080	-0.192	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C[C@@H](O)CCl)C[C@H]21	1911061092	ONLOJAMGXYPDJC-XLPZGREQSA-N	234.683	-0.279	50	10	BBGE	
CC(C)c1cc(=O)n(C[C@H](C)C(=O)NN)cn1	1912237375	JFDIQBJGFHFQKJ-QMMMGPOBSA-N	238.291	-0.007	50	10	BBGE	
CC(C)[S@@](C)(=O)=NCCOCC(=O)NN	1913853324	KAIJTRFVSALDHB-OAHLLOKOSA-N	237.325	-0.501	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914396151	KWLDWHVCXYLLRO-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
CCN(C1COC1)[C@H](C)[C@H](C)C(=O)NN	1915658066	NEGPNXGTMIJFAT-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
CN(C(=O)NC(=O)CCCl)[C@H]1CCNC1=O	1916839183	OTYXKBKLTUOUTA-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
COc1nc(=N)nc(N2CC=C(C#N)CC2)[nH]1	1917077896	MEDIFCFVTPELMO-UHFFFAOYSA-N	232.247	-0.047	50	10	BBGE	
CC[C@@H](SCCNCCN)C(=O)NN	1923475176	HCFZSOJRDJHZQG-SSDOTTSWSA-N	220.342	-0.964	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926422464	USOXDEFBMKLRBM-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
COC[C@@]1(O)CCN(S(=O)(=O)CCl)C1	1931627176	DCRSDQZUMSPMIB-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C=CCCC2)c1	1932603562	GDUDMIBJVSRKEK-SECBINFHSA-N	206.054	-0.081	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCCOC1	1936094244	LORQAADSOFGMLO-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094321	MDBYBFQXOQBXCD-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1CC1CC1	1939136288	LHPHJQHLTKBZRX-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
COCCN1C[C@H](Cl)[C@@H](c2nnn(C)n2)C1	1939854270	LFIYZOQLLKCSOV-YUMQZZPRSA-N	245.714	-0.137	50	10	BBGE	
COc1cccc(OC)c1C(=O)NNCCO	1944215731	MFAQHWCYHCNUJB-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
C[C@]1(O)CON(Cc2ccc(C(=O)NN)o2)C1	1944774847	AEZHERGMLPNEJQ-SNVBAGLBSA-N	241.247	-0.619	50	10	BBGE	
O=C(O)c1c(F)cc(B(O)O)c(F)c1F	1951329061	KKYRZQCCGKEPJW-UHFFFAOYSA-N	219.911	-0.518	50	10	BBGE	
CN1CCN(C[C@H](Br)CO)CC1	1951563745	KOIOGZUUGGMOLY-QMMMGPOBSA-N	237.141	-0.010	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)[C@H](O)C1	1954232753	ROBNDFDKWSEVAI-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](C)CS(N)(=O)=O	1955567985	GFINOHJDNDKKHG-RITPCOANSA-N	242.728	-0.203	50	10	BBGE	
C[C@H]1CN(C(=O)NN)CC[C@@H]1CCO	1956957634	QYBIIAJPBUPSHQ-JGVFFNPUSA-N	201.270	-0.090	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1CCOCC(=O)NN	1958677610	NQHXMKNNOHJKGL-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
N#CC1=CCN(C(=O)N2CC(N)C2)CC1	1959035611	RECYVPGCHYUGMI-UHFFFAOYSA-N	206.249	-0.095	50	10	BBGE	
N#CC1CN(CCCCCC(=O)NN)C1	1960095591	XCAAOBOJQPXYDR-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
CCC[C@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1960619514	ZJWVFHWBKHJCAT-ZIDLFYJRSA-N	236.341	-0.281	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CCO[C@@H]2C1)C(=O)NN	1961582472	GQMFZLGKQAWECR-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]2CC[C@H]21	1961655590	WWHQHQSTVUUUCC-BWZBUEFSSA-N	211.265	-0.329	50	10	BBGE	
COC[C@H](C)Oc1ncccc1B(O)O	1961712691	NSXISPGRFWIUBV-ZETCQYMHSA-N	211.026	-0.825	50	10	BBGE	
CCN(C)c1nc(C)nc(C)c1B(O)O	1961718383	OBBMMHGSXBTCPT-UHFFFAOYSA-N	209.058	-0.771	50	10	BBGE	
O=C1NCC2(CN(C(=O)CCl)C2)N1	1972311617	GMCKYMCRYPJLDR-UHFFFAOYSA-N	203.629	-0.881	50	10	BBGE	
CC(C)OC(=O)Nc1ccc(B(O)O)cn1	1976031246	FMEPPSRODUWTEL-UHFFFAOYSA-N	224.025	-0.282	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CCC1	1976031539	JHSFROQJRBISQT-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCOC2(CC2)C1	1980206278	XNFMNLOWHSZILW-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)O	1982103291	NOPZUKJAKIMULF-WCTZXXKLSA-N	227.264	-0.129	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC12CC2	1984103044	ZUAJZJRXMSLRPJ-QMMMGPOBSA-N	219.049	-0.672	50	10	BBGE	
C[C@H](O)CCN(C)CCC(F)(F)C(=O)NN	1984130077	NUCXAKIMDPJQBM-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C#CCOCCN=c1[nH]c(CCl)nc(=N)[nH]1	1988519551	CIBOCZSRCXPHTP-UHFFFAOYSA-N	241.682	-0.493	50	10	BBGE	
ClC[C@@H]1COCC[C@H]1NCCn1cnnn1	1989878143	VXVWKVWRVKBLHC-RKDXNWHRSA-N	245.714	-0.093	50	10	BBGE	
COCCC1(CN(C)C(=O)C(=O)NN)CC1	1990654618	DFEMWXZHBGEGSB-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1NC(=O)C=CC(=O)Cl	1991661542	BXBOVCYPIWELRL-JGVFFNPUSA-N	246.694	-0.247	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)[C@H]1C[C@@H]1Cl	1991678357	QEOCQPMOVOAPQC-LMMRHMAZSA-N	245.706	-0.140	50	10	BBGE	
CC(C)(NC(=O)/C=C/C(=O)Cl)c1nn[nH]n1	1991706034	LIVJIGNQRBNSHO-ONEGZZNKSA-N	243.654	-0.127	50	10	BBGE	
CN1CCC[C@H](OC[C@@H]2C[C@@H]2C(=O)NN)C1	1992111130	OABSSLMMJAMHGK-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
Cc1ccncc1C(=O)NCC#CB(O)O	1992152550	GPUUWVMKTLBASX-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C=C(CN1CCN([C@H](C)CC)CC1)B(O)O	1992160085	RJTINTWWVAYZFL-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
OB(O)c1ccc(Sc2ccnnc2)nc1	1992766865	PPVXCWOUOYUDJW-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
OB(O)c1cnccc1Sc1ccnnc1	1992767059	QSKIIRRQOKVOII-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
COC[C@H](C)COc1ccc(B(O)O)cn1	1995215638	XJQZPSWCOXBTFC-QMMMGPOBSA-N	225.053	-0.577	50	10	BBGE	
CCN(Cc1nc(C)no1)[C@@H](C)CC(=O)NN	1997739280	AMUKUBSYSGZSCO-ZETCQYMHSA-N	241.295	-0.032	50	10	BBGE	
CC(F)(F)c1cncc(C(=O)NCB(O)O)c1	2004249007	FISNPKFZKYZICI-UHFFFAOYSA-N	244.006	-0.065	50	10	BBGE	
CN(Cc1cnsc1)c1ccncc1B(O)O	2004917197	VQRZMVHLOSLAOH-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CC[C@@H]1CCCCN1c1ncncc1B(O)O	2004919883	DYRHNUGFVUCMRI-SECBINFHSA-N	235.096	-0.075	50	10	BBGE	
Cc1cnc(O[C@H]2CO[C@H](C)C2)c(B(O)O)c1	2004925693	TYWZSLCQPINICO-RKDXNWHRSA-N	237.064	-0.374	50	10	BBGE	
C[C@@H]1COCCCN1c1ccncc1B(O)O	2004940645	YWBKDZVCGBFDBO-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC(=O)NNC(=O)CO[C@@H]1CC[C@H](C(=O)O)C1	2006345200	JDRJLHUOEWLBRF-JGVFFNPUSA-N	244.247	-0.576	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(C(=O)N(C)C)C1	2008307905	KRLOCVDNIVLHQL-HTQZYQBOSA-N	242.323	-0.979	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2[C@@H](C)[C@H]2C)n1	2011597850	DWLPSZIRVJCXBT-SRSLHRDFSA-N	236.080	-0.254	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC(C2CC2)C1	2014929809	QTXBUSBQHAWJCF-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
CN(C[C@@]12CC[C@@](C)(CO1)C2)C(=O)C(=O)NN	2018171590	JEPPYQRKBPHFHQ-MNOVXSKESA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](CN1CC(c2cnn(C)c2)C1)C(=O)NN	2019133270	KVWPKFKQPOZKJO-QMMMGPOBSA-N	237.307	-0.555	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(c2ccn(C)n2)C1	2019133527	LVWTWBNOOVKSOZ-QMMMGPOBSA-N	237.307	-0.412	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H](C2)O3)c1	2021435620	MHJNDZZEFYEPMS-AOOOYVTPSA-N	237.259	-0.144	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1c1ccc(B(O)O)cn1	2052472236	KROFLBSLOJOCIU-MWLCHTKSSA-N	249.123	-0.710	50	10	BBGE	
OB(O)c1cnc(N2CCCC3(CC2)CC3)nc1	2052473401	RYJONWFQQZBDCK-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
CCOc1ccc(B(O)O)c(C#N)c1C	2060198988	LUSMNGHCGHPCSI-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1nc(C)cn1-c1ncc(F)cc1B(O)O	2068335870	YSZMJSDHJWATQA-UHFFFAOYSA-N	249.054	-0.043	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2[C@H]3COC[C@H]32)c1	2068627121	FGWLEBWOZQSQMS-URLYPYJESA-N	248.087	-0.054	50	10	BBGE	
Cc1coc(NC(=O)c2ccc(B(O)O)cc2)n1	2079009069	DKDCUOYUDFDAIO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)C1(C)COC1	2086865753	CIEVMMVOUCBKEO-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
CO[C@H]1CC[C@H]1C(=O)NNC(N)=S	2209291139	ZYWZKMPBIHOPSW-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
COC(=O)[C@H]1CC[C@@H]1C(=O)NN(C)C	2209421382	XPFKYFPWLKJPJM-BQBZGAKWSA-N	200.238	-0.222	50	10	BBGE	
Cn1cn[nH]c1=N[C@H]1COC[C@H]1CCl	2209807329	YZLVLFUBHIHGHI-RQJHMYQMSA-N	216.672	-0.097	50	10	BBGE	
CC(C)(CCF)Nc1ncc(B(O)O)cn1	2212600941	GLQUAIWVSBXWKI-UHFFFAOYSA-N	227.048	-0.294	50	10	BBGE	
NCC1(Oc2ncccc2B(O)O)CCC1	2212601891	VKJFVKPLTUSSCG-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
CC#C[C@H](C)Oc1nccc(B(O)O)c1F	2212607316	JSFOQPFZAFKWKF-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
OB(O)c1ccnc(NCc2ccoc2)c1	2212611026	SVSANSPEMDOHCX-UHFFFAOYSA-N	218.021	-0.034	50	10	BBGE	
CCC[C@H]1C[C@H]1Nc1ncc(B(O)O)cn1	2212611980	GFGUJCBPQOXMJJ-IONNQARKSA-N	221.069	-0.243	50	10	BBGE	
COC[C@H](COC[C@H]1CC[C@H]1C(=O)NN)OC	2215772184	MHHFSWLKMIHDQQ-OPRDCNLKSA-N	246.307	-0.320	50	10	BBGE	
CNC1CC(COc2ccc(B(O)O)cn2)C1	2217185762	BAQXNONLMFSCSH-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
C=CCN(c1ncc(B(O)O)cn1)C(C)(C)C	2217199045	JSORWZPYXGYQCG-UHFFFAOYSA-N	235.096	-0.053	50	10	BBGE	
CC[C@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2220067765	MTXKUFPNMXTOOI-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2CC[C@H]2C)ncc1B(O)O	2220568503	NORCMJGNDXOPFB-SVRRBLITSA-N	249.079	-0.551	50	10	BBGE	
Cc1cnn(CCNc2ncccc2B(O)O)c1	2223633354	VQQAJUQTTLBLIB-UHFFFAOYSA-N	246.079	-0.622	50	10	BBGE	
Cc1cnc(N(C)[C@H]2CCN(C)C2)cc1B(O)O	2223639663	GFZVWTMLHNFKBB-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1ncc(Nc2ccc(B(O)O)cn2)cn1	2223640476	XAQOUGPBGDBMBT-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
CC[C@H]1CN(c2cc(B(O)O)ccn2)CCN1C	2223673853	HYIMZNCNXHDISU-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(c2ncccc2B(O)O)C1	2223675802	YYIBAUUITUGTAK-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
C[C@H](N[C@H]1C[C@H](Cl)C1)C(=O)NC(N)=O	2241671230	UPZNDPYOKHNLQR-ZLUOBGJFSA-N	219.672	-0.071	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2243347326	LOOULWKBBRHFQE-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1coc(B(O)O)c1	2243347594	OGFPSXJWUPLMOL-CAHLUQPWSA-N	243.455	-0.684	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)C1	2243349831	RAZJZPBKNPCSGG-ZJUUUORDSA-N	223.081	-0.104	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)C1(B(O)O)CCC1	2243363292	DODUJQFYWYCZSG-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
COCC[C@@H](C)CNC(=O)C1(B(O)O)CC1	2243363934	OPEUZEWNLFWBMW-MRVPVSSYSA-N	229.085	-0.218	50	10	BBGE	
CC(C)(F)CNC(=O)c1occc1B(O)O	2243365321	KZTLGLOCCRKUTL-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
O=C(NO[C@@H]1CCOC1)[C@H]1C[C@H](B(O)O)C1	2243391937	PIFGZYLCUSJYIB-BWZBUEFSSA-N	229.041	-0.924	50	10	BBGE	
CN(CC1C[C@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2243400646	FOXZMHVZUJZTQN-UWVGGRQHSA-N	221.065	-0.494	50	10	BBGE	
C[C@]12CSC[C@@H]1CN(C(=O)C#CB(O)O)C2	2243401400	QMMXOEDPBHVNDP-WPRPVWTQSA-N	239.105	-0.787	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2243408398	MLGYSUVADKAYIG-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
CCc1nc(C(=O)N(C)OC)c(B(O)O)s1	2243413669	LHXJEQGJABEYGU-UHFFFAOYSA-N	244.081	-0.981	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1CO)[C@H]1C[C@H](B(O)O)C1	2243414718	HBZDRDJCEDYNQB-BGZDPUMWSA-N	227.069	-0.874	50	10	BBGE	
C#CC[C@H]1CCCN1CC(=O)NNC(C)=O	2244550461	RKEQOQPEFIAOIL-JTQLQIEISA-N	223.276	-0.359	50	10	BBGE	
C#C[C@@H](C)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912613	DFVYGSHZUQBPHW-SSDOTTSWSA-N	238.483	-0.482	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccncc1B(O)O	2247737794	JZMLCGGYGLGTKP-QMMMGPOBSA-N	232.048	-0.933	50	10	BBGE	
C[C@@H]1CC(N(C)C(=O)C#CB(O)O)C[C@@H](C)O1	2247740350	JGGSLLHMIPAUCR-RKDXNWHRSA-N	239.080	-0.584	50	10	BBGE	
O=C(C#CB(O)O)N1CCCc2ccccc21	2247741043	TYLOMMMIEDHSOG-UHFFFAOYSA-N	229.044	-0.019	50	10	BBGE	
C[C@H](C1CCOCC1)N(C)C(=O)C#CB(O)O	2247742279	MSTPOIHAGVSIMK-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
O=C(NC1CC(CF)C1)c1cc(B(O)O)c[nH]1	2247744127	OAGRSQPQPFNOKP-UHFFFAOYSA-N	240.043	-0.828	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786854	HMFLZLDDPKXEJZ-CIQUZCHMSA-N	238.096	-0.894	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2247793504	FTDBMJLQLYWATO-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247807616	RGUURIYXTIFBOG-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1COC2CC1C2	2247809068	NKZCQYFARPRMFD-UHRRMTARSA-N	239.080	-0.515	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](CO)CC1CCCC1	2247842240	RBUWXWKHKHDIPJ-JTQLQIEISA-N	239.080	-0.941	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ccoc1B(O)O	2247846578	JBLNKCGJZZCWGR-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1CCNC12CCC2)C1(B(O)O)CC1	2247872198	OILJCJFEHHVDJQ-QMMMGPOBSA-N	238.096	-0.606	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247872349	QWPVRKOCFJBEPU-KWQFWETISA-N	238.096	-0.667	50	10	BBGE	
CC[C@@](C)(CCO)NC(=O)C1CC(B(O)O)C1	2247892642	FCFVAZBHHAVOFK-AMUVOQDHSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)C1CC(B(O)O)C1	2247893336	QEZWADFDFSVDMD-BMNUFHGDSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894940	MJKDLIUBKIYOKU-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898387	CZKKXJYYNBIUOR-IVZWLZJFSA-N	241.096	-0.125	50	10	BBGE	
CC#CCCC(=O)Nc1cc(B(O)O)ccn1	2248445793	RLJBLPFADQHHEG-UHFFFAOYSA-N	232.048	-0.497	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248589031	LEVVYLAGHOJLHB-BIIVOSGPSA-N	243.068	-0.391	50	10	BBGE	
O=C(NCc1ccoc1)c1cc(B(O)O)co1	2249431979	XKOTUIPIUPVUKO-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249434052	UTWBACYXVORYAM-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)C1	2250008647	OSTRHMWHIZVGEJ-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
Cc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@H]1B(O)O)CC2	2255567752	FEWCBWPJQDMUAG-VXNVDRBHSA-N	249.079	-0.534	50	10	BBGE	
Nc1cncc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)c1	2255779043	YWHONFBBIZHZLU-KYZUINATSA-N	249.079	-0.467	50	10	BBGE	
C[C@H](C#N)CNC(=O)Nc1ccccc1B(O)O	2255918093	MPASBDBNZKRNCJ-MRVPVSSYSA-N	247.063	-0.352	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1cocc1B(O)O	2258133040	LEMIBVPEQALHCX-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)co1	2258136632	MYYFMNWVBDMGOR-XKSSXDPKSA-N	249.075	-0.122	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H](F)[C@H](CO)C1	2298168133	OPWIOOLAFNKSBG-AATLWQCWSA-N	245.298	-0.735	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375336	GCRPUAZTHSUROA-KZVJFYERSA-N	240.112	-0.661	50	10	BBGE	
CC(C)=C(CN(C)C[C@H]1COCCO1)B(O)O	2301965685	WBBURURJOBTFPT-JTQLQIEISA-N	243.112	-0.318	50	10	BBGE	
COC(C)(C)C1(CNC(=O)C#CB(O)O)CC1	2303756312	JRXBXOUNTJVYFI-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1ccc(B(O)O)cn1	2307287797	HZQILQAZYJOPSW-WAAGHKOSSA-N	238.071	-0.054	50	10	BBGE	
C[C@@]1(O)CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317311327	NVIGASHRJODTJT-GFCCVEGCSA-N	249.075	-0.860	50	10	BBGE	
CC1(CNc2ccc(C=O)c(B(O)O)c2)CNC1	2317311627	SJKWHTKIUAAAKM-UHFFFAOYSA-N	248.091	-0.800	50	10	BBGE	
N[C@H](COc1ccc(C=O)c(B(O)O)c1)C1CC1	2317350459	SQWIFZXUUOFMTB-GFCCVEGCSA-N	249.075	-0.705	50	10	BBGE	
OB(O)c1ccn(Cc2ncc3ccccn23)n1	2327646864	NOBGBTZKOVAENQ-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)CN)c1	49813726	YDHHYNOUBDJMGS-UHFFFAOYSA-N	207.233	-0.285	50	10	BBGE	
NCCC(=O)NNC(=O)c1ccccc1F	49819899	OKCVBGZGCVKGFV-UHFFFAOYSA-N	225.223	-0.065	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN(C)CC1	82466532	PSRIWYFZVGQGOK-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NN	82470494	JLXNKVDFCJFKPR-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CN)CSC[C@H](C)C(=O)NN	85320039	CFHFLJQFGGWDQN-BQBZGAKWSA-N	205.327	-0.060	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(=O)N(CC)CC	110593618	QMUPYIYSQGIEGL-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
COCCNC(=O)[C@@H](C)NC(=O)CCCl	161792932	RKWJPYKRLGJXBD-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
C[C@@H](C(=O)NCCCl)S(C)(=O)=O	167775955	YXQXMCCVGTVYRO-YFKPBYRVSA-N	213.686	-0.226	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(O)CC1	211804177	MTWLFHOEVHGTFA-VIFPVBQESA-N	215.297	-0.398	50	10	BBGE	
CN(C)NC(=O)c1noc([C@@H]2CCCN2)n1	226406978	YVRPMCSDTCZXBI-LURJTMIESA-N	225.252	-0.300	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)[C@H](O)C1	227259966	BDCHKDGEUIWMTJ-LYFYHCNISA-N	207.657	-0.575	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](OC)[C@H](OC)C1	234064857	HPIMPTLGSMYMFE-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
Cc1cn(-c2ccccc2)nc1B(O)O	238551611	QHZXUHKHOXQMPE-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
CN1CCC(CCNC(=O)NN)CC1	258866997	ZIVJBKBUDOSMEV-UHFFFAOYSA-N	200.286	-0.109	50	10	BBGE	
Cn1cncc1C(=O)NNC(=O)[C@H]1CCCO1	293940701	OHOWKHOKPUZOLO-MRVPVSSYSA-N	238.247	-0.640	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)C[C@H]1CN	300036253	BKDCROWPNFNYRC-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
CO[C@@H]1CCN(Cc2cc(C(=O)NN)no2)C1	300044253	AOAGGXLHDWIKFA-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
Nc1ccc2c(B(O)O)c(O)sc2c1	306733336	NANHXEXNADTIDS-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN1C[C@H](NC(=O)CCCl)C(=O)N1	307166760	PURLCPBTPHSCSQ-YFKPBYRVSA-N	205.645	-0.923	50	10	BBGE	
CCN1CCN(C[C@H](Cl)C#N)S1(=O)=O	307539637	UUMMUWOFRGYOCX-SSDOTTSWSA-N	237.712	0.000	50	10	BBGE	
CO[C@@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	308886413	WVILLVRGGOYMAS-SCZZXKLOSA-N	215.297	-0.277	50	10	BBGE	
COCCOCc1ccc(C)c(B(O)O)c1	313759199	XFJFTCAPWSPXTC-UHFFFAOYSA-N	224.065	-0.162	50	10	BBGE	
NC(=S)NCC(=O)NN=Cc1ccccc1	381050978	HXVQFAUYFGTCQO-UHFFFAOYSA-N	236.300	-0.030	50	10	BBGE	
CN(CCC(N)=O)C(=O)CBr	381930561	XJUSLDDMRCBEDR-UHFFFAOYSA-N	223.070	-0.285	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCCO	384824224	QABYLXRTIDDKNM-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@@H](CNC(=O)CBr)c1nn[nH]n1	392619097	DOOBZIJHYFZGBI-BYPYZUCNSA-N	248.084	-0.186	50	10	BBGE	
COC(=O)CCc1cc(OC)ccc1B(O)O	396033628	QHYPMQDHCMYKLR-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
O=C(CCl)Cc1cccc(F)c1B(O)O	396074731	XHDLOKHVLRAWGU-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
CN(C[C@@H]1CCOC1)CC(C)(C)C(=O)NN	398855281	UCAIDCTUPGNHAE-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
Cc1cc(C#N)c(-n2ccnc2)c(B(O)O)c1	536952554	CNXARVRSRPKLOI-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
NNC(=O)[C@H]1OCC[C@@H]1Cn1cccc1	675058379	CLZBELSYCKYGBK-BDAKNGLRSA-N	209.249	-0.117	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]12COC[C@@H]1C2	689290619	WYYVHFQOURUHFW-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
CN1Cc2ccc(NC(=O)C(=O)NN)cc2C1	689454052	GSFHMZZZBMBQBN-UHFFFAOYSA-N	234.259	-0.440	50	10	BBGE	
CS(=O)(=O)N1CCC(CN=C=O)CC1	690720456	XFLDROQKZJOWCT-UHFFFAOYSA-N	218.278	-0.006	50	10	BBGE	
COCCN(CCF)[C@H](C)[C@@H](C)C(=O)NN	697059381	ZEEITDPLUUDABY-RKDXNWHRSA-N	235.303	-0.081	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1CC(C(N)=O)C1	703532178	ZXKQEIBZGNRWGA-HACHORDNSA-N	242.323	-0.803	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)[C@@H]1C	706917331	WXYLEUCMDLFWOS-IMSYWVGJSA-N	227.308	-0.136	50	10	BBGE	
CN(C)CCOc1c(F)cccc1B(O)O	707071475	AHZYHODZKGVZQJ-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
CS[C@@H]1CCCCN(C(=O)C(=O)NN)C1	707278271	JFULUHSXEMKSKY-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COCCOC2CC2)O1	711943498	DZFQIHAKTSULIU-UWVGGRQHSA-N	244.291	-0.281	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](C1=O)C2(F)F	715544409	CUUUZILUGPJMHQ-CAHLUQPWSA-N	233.218	-0.520	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]2C1=O	715701766	MGXZEJOFUMEKEU-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
O=S(=O)(CCCl)NCC#CCO	717537037	YNOVNRRHOQGRRL-UHFFFAOYSA-N	211.670	-0.860	50	10	BBGE	
CC(C)O[C@@]1(CNC(=O)NN)CCOC1	722343010	CKVLDUYTUBLXTK-SECBINFHSA-N	217.269	-0.257	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@H](C)O	787139757	KLGHMXNRBTTXOP-ZETCQYMHSA-N	223.232	-0.468	50	10	BBGE	
O=C(NNc1ccncn1)N[C@@H]1CCOC1	823910691	HNFUHDZSQGBYKT-SSDOTTSWSA-N	223.236	-0.108	50	10	BBGE	
CCC(C)(C)[C@@H](C)NC(=O)C(=O)NN	829122840	GTIFNIZAKBLTGA-ZCFIWIBFSA-N	201.270	-0.083	50	10	BBGE	
CCONC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	845121298	IIXTZNFMNKNTBK-GJMOJQLCSA-N	243.263	-0.164	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@@H](C)C(OC)OC	923647902	GPIXEVRDQLGWHZ-LURJTMIESA-N	249.267	-0.094	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1119104589	LXCXVZKNNMPAFA-DJLDLDEBSA-N	238.291	-0.143	50	10	BBGE	
CC(=O)NNC(=O)c1cc(-c2ccn(C)n2)on1	1440725084	ZZUGIIIKUDFANM-UHFFFAOYSA-N	249.230	-0.144	50	10	BBGE	
CCC[C@H](OC)C(=O)NN(C)C(N)=O	1446343367	WZWBNDWHQCLQGP-LURJTMIESA-N	203.242	-0.157	50	10	BBGE	
Cn1ncc(C(=O)NNc2cccnn2)n1	1466330014	MBYCFWZDHQJCDB-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
N#CCCNC(=O)NNC(=O)[C@H]1CCCO1	1469994488	BZHSAJUXRVDEOV-SSDOTTSWSA-N	226.236	-0.591	50	10	BBGE	
C=C[C@@H](C)ONC(=O)NNC(=O)c1ncon1	1565009155	NCMDXARIGZDLCJ-RXMQYKEDSA-N	241.207	-0.480	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)c1ccnnc1	1630214932	IOHORRDPXWYRQO-MRVPVSSYSA-N	248.242	-0.724	50	10	BBGE	
N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1Br	1877347654	OPFKTDNGNIOHGV-KVQBGUIXSA-N	237.097	-0.794	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@@H](O)CN1CCCCl	1877833143	PGYWBUVFEOJETN-GJMOJQLCSA-N	209.673	-0.986	50	10	BBGE	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NN	1880030227	JTGPUGIHVOJNKW-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
C#C[C@@H](CCl)NCC1CS(=O)(=O)C1	1881931236	AOVXZEGAHAAHQH-QMMMGPOBSA-N	221.709	-0.139	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1CCO1	1882954983	JTNQZJMPCYPCFG-YFKPBYRVSA-N	206.629	-0.160	50	10	BBGE	
O=C1C[C@H](NC[C@@H]2C[C@@H]2Br)C(=O)N1	1883529025	GLQORKRERWPZSL-ZLUOBGJFSA-N	247.092	-0.226	50	10	BBGE	
O=C(NCC#CCCl)[C@H]1CCS1(=O)=O	1884824903	HUHHBHQYBIUQLQ-SSDOTTSWSA-N	235.692	-0.468	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)C[C@@H]1CO	1886211247	CMPQLZIUWCHNTR-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
OC[C@H](O)C1CN(CCOCCCl)C1	1887182077	NWVZFDBBAHFWHD-VIFPVBQESA-N	223.700	-0.473	50	10	BBGE	
CN1C[C@@H](N(C)C[C@H](O)CCl)CC1=O	1887643164	YRYWGTOMGJSNFE-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CCO1	1889749611	DQMFJBIRBQYVRM-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902510992	FQPMNQHNQDENHA-YUMQZZPRSA-N	246.097	-0.833	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H](C)C(N)=O)C(=O)NN	1902719902	KDTWQVGTJBKVTF-XVKPBYJWSA-N	230.312	-0.802	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C[C@@H]1C[C@H]1C(=O)NN	1905890422	YYRCVXJYWBFWAK-VPOLOUISSA-N	238.335	-0.752	50	10	BBGE	
CON1CCN([C@H](C(=O)NN)C(C)C)CC1	1915710937	PKPWZHKXVOAYOM-VIFPVBQESA-N	230.312	-0.820	50	10	BBGE	
COCC[S@@](C)(=O)=N[C@H](C)CC(=O)NN	1918071334	DNMOBNQJVXCNLB-KWKYVRJSSA-N	237.325	-0.501	50	10	BBGE	
NNC(=O)CCN1CCN(CC(F)F)CC1	1923097141	FSGDEDLVTFZTCO-UHFFFAOYSA-N	236.266	-0.751	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923415392	NPVSGOTVRUGTPL-SCSAIBSYSA-N	228.170	-0.287	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926418365	AMXHHRXWRBPKFT-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCB(O)O	1927829496	OTVSNIIPPZDQOC-BGZDPUMWSA-N	211.070	-0.203	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)[C@@H](F)C1	1927867626	WJARTPOMASFACC-JGVFFNPUSA-N	219.260	-0.839	50	10	BBGE	
COC[C@]1(CNC(=O)NN)CCCCO1	1928056742	LKRRCXBHVZBIIR-SECBINFHSA-N	217.269	-0.255	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](O)[C@H](C)C1	1928367812	MEAPJKKLAQZIHT-LURQLKTLSA-N	215.297	-0.687	50	10	BBGE	
O=C(CCl)N1[C@H](CO)C[C@H]2OCC[C@H]21	1928936506	HEFLAKOKKDRBAR-XLPZGREQSA-N	219.668	-0.024	50	10	BBGE	
O=S(=O)(CCCCl)N1C[C@@H](O)[C@H](F)C1	1929873003	VLLXGVHBXABCKD-RNFRBKRXSA-N	245.703	-0.040	50	10	BBGE	
C[C@H]1CC(N(C)CC(=O)NN)C[C@H](C)O1	1929910915	PZBSMKDEPRTZCM-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)C(F)(F)C1	1931832972	YSIDQUKQVCGUQU-RITPCOANSA-N	215.627	-0.102	50	10	BBGE	
CS(=O)(=O)CCNC[C@@H]1COC[C@H]1Cl	1933391843	IXNMCCILJMGYJQ-HTQZYQBOSA-N	241.740	-0.126	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CC1(C)C	1934002744	FFVMJDQRKLUPDC-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936087742	FZBKQRQLHYDFJY-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@H]1C[C@@H]1C(=O)NN	1936094861	QRILQAHGEUWLQW-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NC[C@@H](O)CF)[nH]1	1937669057	MJYAHDPKYQPNQT-WHFBIAKZSA-N	249.677	-0.252	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@H](C)O1	1941771872	AMKJLKQELJKZDJ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCC[C@@H]1O	1941775521	PJRDPBOQTAPGTH-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCOCCCOc1cnc(C)c(B(O)O)c1	1944010791	ICZLGBNQUNBZGR-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944604292	POADQJKGWJYSST-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](O)(C(C)C)C1	1945550228	YLEURFJXWPBAMM-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CN1CC[C@@H](N2CCCCCC2)C1	1948375193	QNGIKULPXIUEBW-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
COc1cc(OC)c([C@@H](N)[C@H](O)C#N)cn1	1952957037	SGILYVJRLBCGGX-GMSGAONNSA-N	223.232	-0.017	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)NNC(N)=O)C1	1954963922	MYNHSJZIWDQKCN-RXMQYKEDSA-N	201.226	-0.499	50	10	BBGE	
CC[C@H]1C(=O)NCCN1C[C@@H](O)CCl	1956255796	DJZGDXNQVHTUET-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
CC1(C)CO[C@@H](CO)CN1C(=O)NN	1956471148	YSLXXEYQWZZRQE-ZCFIWIBFSA-N	203.242	-0.959	50	10	BBGE	
OB(O)c1csc(N2CCCCO2)n1	1956965907	NEJMYICOSOLRCL-UHFFFAOYSA-N	214.055	-0.645	50	10	BBGE	
CCC[C@@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1960619511	ZJWVFHWBKHJCAT-KWKYVRJSSA-N	236.341	-0.281	50	10	BBGE	
CCN(CC(=O)NN)Cc1ccnn1C	1961254185	NASWWSVTQOAVTJ-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
CC1CC(Oc2ncncc2B(O)O)C1	1961695431	DDBNAIXUIUSIET-UHFFFAOYSA-N	208.026	-0.666	50	10	BBGE	
CCN1CCC[C@H](N(C)[C@H](C)C(=O)NN)C1	1976089457	IDFMSHDAFMSPCZ-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CCN(Cc1nc(C)no1)[C@H](C)C(=O)NN	1976743480	AZSNMESFAPTUTQ-ZCFIWIBFSA-N	227.268	-0.422	50	10	BBGE	
C[C@@H]1CCN(c2ccncc2B(O)O)[C@@H]1C	1981427078	RZNXETSATWAKIB-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@@H]32)c(B(O)O)c1	1981468836	IYPAEEQYEBYTQD-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(CCO)C1	1987907322	OSKYOMIXBVDBHO-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	1988182006	ZDUQDFIEYRALKB-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
NC(=O)NCC1CN(C(=O)C=CC(=O)Cl)C1	1991650459	NFYJWGDTJKJKHU-UHFFFAOYSA-N	245.666	-0.565	50	10	BBGE	
O=C(O)CN1CCN(C(=O)[C@H]2C[C@H]2Cl)CC1	1991681577	BNWCZPSYNCJUEQ-JGVFFNPUSA-N	246.694	-0.158	50	10	BBGE	
CCn1nnc(CNC[C@@H](Cl)CN(C)C)n1	1992010280	XSWBWCQJSQORIU-MRVPVSSYSA-N	246.746	-0.048	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)c(C)o1	1992146054	PQVZQOJGSFKNKQ-UHFFFAOYSA-N	221.021	-0.358	50	10	BBGE	
NNC(=O)CCCCN1C(=O)C[C@@]12CCOC2	1996643374	HTTWYGATHKJVOV-LLVKDONJSA-N	241.291	-0.462	50	10	BBGE	
CC[C@H]1CC(=O)N(CCOCC(=O)NN)[C@@H]1C	2004514362	OUHJLALQOKBXKL-BDAKNGLRSA-N	243.307	-0.360	50	10	BBGE	
Cc1ccnc(N2C[C@H](F)[C@H](F)C2)c1B(O)O	2004916823	QHRRGTGQAHPDBG-OCAPTIKFSA-N	242.034	-0.434	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ncc(B(O)O)cc1F	2004933502	ILLDJDCLNAJHDD-RCOVLWMOSA-N	241.027	-0.686	50	10	BBGE	
CO[C@H](C)CN(C)c1ncc(B(O)O)cc1F	2005013969	DSOKSTXQFANVLJ-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
CC(=O)NNC(=O)CO[C@@H]1CC[C@H]1CC(=O)O	2013850203	DZWPYMCAEJRPKT-JGVFFNPUSA-N	244.247	-0.576	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)C12CC2	2014889656	RJYVKBWTUICBMG-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
COC[C@H](OC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)NN	2016504953	MQUPKZUWOMSWEU-AKKLPLMASA-N	240.303	-0.090	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)C1(CCF)CC1	2018887879	PPVIFNQNAJNOHK-LURJTMIESA-N	247.031	-0.832	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)nc1C	2020056743	NQXVLZOOEHMXPU-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2020067937	MKPULBYDQPCCMX-SAVGLBRCSA-N	235.092	-0.037	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1CC1(C(=O)NN)CC1	2020204739	AHUNRBOJKZBSBR-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)c1ccnn1C	2052795266	IOJANVYOIYTDGH-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
COc1nc(Oc2cccnc2)ncc1B(O)O	2069159932	OMRHTFJCMUCXSU-UHFFFAOYSA-N	247.019	-0.648	50	10	BBGE	
C[C@@H]1COCCN1C(=O)c1ccccc1B(O)O	2079009884	LIYHGIKVBLBYKP-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)[C@H]1CCOC1	2079010713	SNAWYUNABZFKCM-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
O=C(Nc1ccnnc1)c1cccc(B(O)O)c1	2079011098	YVRMEQXQNRUMQI-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
OB(O)c1cccnc1N1Cc2cncnc2C1	2085311954	XRQSBENRPLXYIO-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN(C)C(=O)C(=O)NN)O1	2210967988	OFPZESYGVSSWRJ-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
Cc1ncn(Cc2nscc2B(O)O)c1C	2211136643	VKWGANSODZXHCW-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
C#CCN(CCF)c1cc(B(O)O)ccn1	2212600299	BOUMEUFCJMWQQD-UHFFFAOYSA-N	222.028	-0.830	50	10	BBGE	
CNCC(C)(C)Oc1ncccc1B(O)O	2212605213	ZSUHEBQHZMEETC-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@@H](C)N	2212608551	UFCLYMJJCMTJBW-RITPCOANSA-N	228.032	-0.985	50	10	BBGE	
N#CCC1CN(c2cc(B(O)O)ccn2)C1	2212612519	LJUOECJQAPECFF-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213879704	ISTOQJFZWNRYFP-VGMNWLOBSA-N	247.314	-0.204	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@H]1CN(C)C2)C(=O)NN	2213954707	JRZMYIIBGWJHNF-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H]1C[C@H]2O	2215777411	SLSVSPUBZHJCET-KAMPLNKDSA-N	239.319	-0.542	50	10	BBGE	
C[C@@H](CO)CC1CN(CC(C)(C)C(=O)NN)C1	2216703311	IWDWXMKYMDNLJJ-SECBINFHSA-N	243.351	-0.047	50	10	BBGE	
CC[C@H](CNC)Oc1cc(B(O)O)c(C)cn1	2217166749	OJKAQCHYUBTJBZ-SECBINFHSA-N	238.096	-0.553	50	10	BBGE	
CC(C)(C)[C@@H](N)COc1ncccc1B(O)O	2217168209	SWSKBLXBWCPEKE-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C(C)(C)C	2217173406	QEXCHZHTPYURSS-VIFPVBQESA-N	233.080	-0.384	50	10	BBGE	
N[C@@H](CCOc1ccc(B(O)O)cn1)C(F)F	2217185295	VBMKYGHUWOJXIV-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
CC[C@@H](CCO)CN=c1ccc(B(O)O)c[nH]1	2217196471	GBWAWTKZXYZSFI-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncn(C)n1	2223637700	RPTHIBHXJAGEQD-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
Cc1cnc(NCc2ccnn2C)cc1B(O)O	2223643656	YIQXIOYMNQRLBK-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C=CC1(Oc2cc(B(O)O)ccn2)CCNCC1	2223655895	GPVUWCNEHJVNAS-UHFFFAOYSA-N	248.091	-0.552	50	10	BBGE	
COC[C@H](C)NS(=O)(=O)N1CC(Cl)C1	2241348606	UIGUIBTVXBFUDB-LURJTMIESA-N	242.728	-0.221	50	10	BBGE	
O=C(NOCCF)C1(B(O)O)CCC1	2241470830	CLKPFTNONSMOOT-UHFFFAOYSA-N	204.994	-0.599	50	10	BBGE	
CNC(=O)c1sc(C)c(C)c1B(O)O	2241480701	NTAGORTYTAGIIE-UHFFFAOYSA-N	213.067	-0.596	50	10	BBGE	
O=C(NCCC(F)F)[C@H]1C[C@@H]1B(O)O	2241481447	UXKLAGORGGELAX-WHFBIAKZSA-N	206.985	-0.379	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1coc(B(O)O)c1	2243349129	GRWRQXYCIWAYFZ-MRVPVSSYSA-N	221.021	-0.899	50	10	BBGE	
C[C@H](NC(=O)c1csc(B(O)O)c1)C(F)F	2243357216	SYJMWZKKUIYZQJ-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
CN(CCCF)C(=O)c1cc(B(O)O)c[nH]1	2243361543	CQHJELJKRZYXLC-UHFFFAOYSA-N	228.032	-0.874	50	10	BBGE	
Cc1cc(C(=O)NN2CCC2)sc1B(O)O	2243366804	IXVZQKLSKSBMTI-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C=CCN(CC)C(=O)c1sncc1B(O)O	2243385522	KBVUBOVUSQXOOX-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2243393036	ZQIMXSUSCPCCEM-RQJHMYQMSA-N	223.037	-0.469	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)C2(B(O)O)CCC2)C1	2243397587	FFXOSTXDKZWVKR-ZETCQYMHSA-N	225.053	-0.222	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)cn1CC	2243409403	HGSXQVKQLWFQNA-UHFFFAOYSA-N	224.069	-0.720	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1sncc1B(O)O	2243414312	YDEBSJBYJJTSHB-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](CCO)C1	2243426943	OASPFUKLFHSOCF-XHNCKOQMSA-N	227.069	-0.920	50	10	BBGE	
N#CCSCC(=O)N[C@@H]1CCC=C1B(O)O	2243664247	LBCYGBVYBBCDFP-MRVPVSSYSA-N	240.093	-0.540	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1cc(B(O)O)co1	2244212700	UIDCQRVQGQDXSD-LURJTMIESA-N	230.963	-0.903	50	10	BBGE	
COC[C@H](OC1(C(C)C)COC1)C(=O)NN	2245016845	RUKPMLQZMCPWBT-QMMMGPOBSA-N	232.280	-0.567	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	2245140361	RERXJFGWSSSBMF-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
Cc1cc(C#N)cc(NC(=O)C#CB(O)O)c1	2247741664	CVAPWGOJSXZRFO-UHFFFAOYSA-N	228.016	-0.179	50	10	BBGE	
O=C(C#CB(O)O)NCCC(C1CC1)C1CC1	2247742574	QPCMGQGARNIVKL-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
CN(CC1(C)CCOCC1)C(=O)C#CB(O)O	2247747603	PRBXJMGBXKNFSC-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
CCN(CC)C(=O)c1ncc(B(O)O)cc1F	2247757784	RXYDMOGLJFHDCB-UHFFFAOYSA-N	240.043	-0.618	50	10	BBGE	
COC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C	2247799668	GSIRGPLKPLRSPU-AXTSPUMRSA-N	241.096	-0.410	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCC12CC2	2247849998	INSSUJSVKPQAPF-UHFFFAOYSA-N	234.064	-0.537	50	10	BBGE	
CN(Cc1cccc(F)c1)C(=O)C#CB(O)O	2247851217	WWLMETURBAGSKF-UHFFFAOYSA-N	235.023	-0.201	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(F)c(CO)c1	2247852388	TVLBWYOOMUANMI-UHFFFAOYSA-N	236.995	-0.728	50	10	BBGE	
CC(C)(CF)CNC(=O)c1ccoc1B(O)O	2247866371	LEEMXWWHNPCIKU-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
C=CCCCN(C)C(=O)c1ccoc1B(O)O	2247868299	FFZPXTMXBYDYJD-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1coc(B(O)O)c1	2247871181	XCKZEEZDKHAYLB-VXNVDRBHSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1CC[C@]2(C1)C[C@@H](O)C2)C1(B(O)O)CC1	2247874505	QZOVSYIWIQAYPL-WAAGHKOSSA-N	239.080	-0.633	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cn1C)C(F)F	2247875565	YJEISEVUNYLGNP-YFKPBYRVSA-N	246.022	-0.912	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@@H]1B(O)O	2247887721	RDZXKQSWOCQAMS-CIQUZCHMSA-N	239.080	-0.800	50	10	BBGE	
N[C@@H]1CCCN(C(=O)C2CC(B(O)O)C2)CC1	2247893782	YGIZALCYMWGDQB-UDNWOFFPSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2247894438	GVTFXOFSXAIMPS-VAPHQMJDSA-N	239.080	-0.467	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCCC1	2247895051	NNIKLKXPHUQMSB-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
CC[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247895455	SQALQJDTJOOJTN-YWVKMMECSA-N	241.096	-0.387	50	10	BBGE	
CCN(CC1CN(C)C1)C(=O)[C@H]1C[C@@H]1B(O)O	2247895536	ARMLFHZENOJOHX-UWVGGRQHSA-N	240.112	-0.741	50	10	BBGE	
C#CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898722	HHGWDXZAZSYEDQ-BBBLOLIVSA-N	237.064	-0.900	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)[C@H]1C[C@H]1B(O)O	2251689631	HXWQJNHILGDWTH-RGOKHQFPSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2255464111	ROBMVOYMEFRXKK-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)n[nH]1	2255546456	FXEYWAJFMDCZGV-HTQZYQBOSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)n[nH]1	2255546458	FXEYWAJFMDCZGV-SFYZADRCSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@H]1C1CCC1	2255552326	JPXFGKDRRATRMJ-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
O=C(Nc1cccnc1F)c1ccc(B(O)O)o1	2255673545	QRZWOLPRVANSII-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1cc(NC(=O)c2ncccc2B(O)O)on1	2255716673	SUVRPWHOLRMCQP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=CC1(NC(=O)c2cccc(F)c2B(O)O)CC1	2255721119	YQZGRKWXXWBPKF-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2255737228	BJUOJKOJCFQXRM-ODXREFDESA-N	247.059	-0.560	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)cn2C2CC2)CC1	2255747526	MIJNQWLYZBQMKN-UHFFFAOYSA-N	248.091	-0.215	50	10	BBGE	
CN(C)c1ncccc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2255767234	BZLXKGJQVBOMLP-SFYZADRCSA-N	249.079	-0.051	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)co1	2258135720	HEGXNDVLYHFZJR-DOFRTFSJSA-N	249.075	-0.122	50	10	BBGE	
C#CC1(NC(=O)c2occc2B(O)O)CC(C)C1	2259908923	WHLIYGAPIAJHJL-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)O	2298370469	ZJOXOZJFRSKKOE-DKIAZLNASA-N	241.096	-0.531	50	10	BBGE	
C=CCO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376421	VZGHQDXGTNVETF-IVZWLZJFSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1cccnc1C(N)=O	2300924345	RZJZJGDLEQGENC-LURJTMIESA-N	238.247	-0.672	50	10	BBGE	
C[C@@H](CCCC(=O)NN)OC[C@H]1COCCO1	2301983477	XSHDKTZPVUJZDL-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
C[C@H]1CN([C@H](C)CCCC(=O)NN)CC(=O)N1	2302024522	VPLGOXQRWFQHGT-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NCC=CCN1C[C@H](Cl)C(=O)NC1=O	2316773630	OJCFOKBRKCXTBC-LURJTMIESA-N	217.656	-0.340	50	10	BBGE	
C=C1C[C@H]1C(=O)N1CCc2cccc(B(O)O)c21	2319323865	QRMAIXZOCOKVGF-SNVBAGLBSA-N	243.071	-0.168	50	10	BBGE	
N[C@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@H]12	38845981	BUDIODLBJBTUJD-MHTLYPKNSA-N	248.691	-0.194	50	10	BBGE	
CN(C)/C=N/C(C#N)=C(C#N)\N=C\NN	39185985	ZOCWWSPYBHQSIF-ZUKYEBQOSA-N	205.225	-0.673	50	10	BBGE	
COCCNC(=O)CNC(=O)[C@H](C)Cl	41698983	MZHGFJPZJHQWSB-LURJTMIESA-N	222.672	-0.508	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\N(C)N=C(C)N1N	82290958	CYKYUMBXTWJAMM-BQYQJAHWSA-N	223.236	-0.261	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)C1CC1	82470009	OMAKQVUECSTPJM-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CNC(=O)CNC(=O)CBr	82506325	TZMRIIXUJILCNA-UHFFFAOYSA-N	209.043	-0.757	50	10	BBGE	
C[C@H](Cn1ccc(C(=O)N(C)C)n1)C(=O)NN	85196530	NSAJAQROQQHJOL-SSDOTTSWSA-N	239.279	-0.789	50	10	BBGE	
NNC(=O)c1ccc(Cn2ncccc2=O)o1	104105046	AVCOHZFHGXAENG-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)[C@@H](N(C)C)C1	125705319	HRQCVCUSVGPRSX-VGMNWLOBSA-N	214.313	-0.753	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CO)c(C)n1	182773204	VKJSYQQYVWILLG-UHFFFAOYSA-N	223.232	-0.548	50	10	BBGE	
CCc1cc(N(C)CC)ncc1B(O)O	200997893	UYAQCVPBNJMZQU-UHFFFAOYSA-N	208.070	-0.220	50	10	BBGE	
CN(C=O)CCc1cc(F)cc(B(O)O)c1	208609180	VMMYAUAZRUFOTA-UHFFFAOYSA-N	225.028	-0.864	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(C)(C)O	211782920	SGFOBBGKIHYKRC-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCOCC1	211962089	AXVCSFYHSCHESV-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H]1CN([C@H](C)CCC(=O)NN)CCO1	216469582	VZAJEYYSYSXJCP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)(CCl)C(=O)NC[C@H](O)C(N)=O	228653142	HBADHPLNPFATHU-YFKPBYRVSA-N	222.672	-0.786	50	10	BBGE	
CC(C)Oc1cc(C=O)ccc1B(O)O	230548237	SMTNQJIJWJXTBW-UHFFFAOYSA-N	208.022	-0.034	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCl)C(N)=O	232296163	PXWLPGZKFAVMEW-BYPYZUCNSA-N	214.674	-0.982	50	10	BBGE	
C[C@H](O)C1CCN(CCCC(=O)NN)CC1	235525789	ROFPFQIDHSEWKH-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COC(=O)[C@H](N)[C@H](O)CSSC	238800909	ZQIACFZFORMSMF-RFZPGFLSSA-N	211.308	-0.141	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@](C)(O)C1	253059795	CPGNKSGMXZKGFY-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](O)(C(F)(F)F)C1	304423789	AEGGGLZGINUMLD-FSPLSTOPSA-N	241.213	-0.636	50	10	BBGE	
CS(=O)(=O)N1CCOC[C@@H](Cl)C1	307340955	JHPPALBDTBJMRD-LURJTMIESA-N	213.686	-0.114	50	10	BBGE	
CSSCCN[C@@H](C)C(=O)NN	308047867	QINWELBFYALSHQ-YFKPBYRVSA-N	209.340	-0.034	50	10	BBGE	
OB(O)c1ccc(N2CCC(O)CC2)cc1	309194412	RMTOONATNXEFLB-UHFFFAOYSA-N	221.065	-0.673	50	10	BBGE	
CCc1cc(B(O)O)cc([C@H]2CCCNC2)n1	382637581	HPJYAGJDAKTWJT-VIFPVBQESA-N	234.108	-0.209	50	10	BBGE	
Cc1ccc(=O)n(Cc2nc(C(=O)NN)co2)n1	386821636	QZQIZKRRJSRBST-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CN1C[C@H](N=c2[nH]nc(CCCl)o2)CC1=O	390459267	BJKHWSZFOWJKIF-ZCFIWIBFSA-N	244.682	-0.085	50	10	BBGE	
COc1c(C(F)(F)F)ccnc1B(O)O	396106480	QUWYERWOLHXCQU-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
N#CCCc1c(/C=C\C(=O)O)cccc1B(O)O	396142221	PRDMFJMUEWTQSI-SREVYHEPSA-N	245.043	-0.080	50	10	BBGE	
N#Cc1cc2scc(CO)c2cc1B(O)O	396227163	SNHLJNBCQXXSTB-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCCCC(=O)Nc1ncc(B(O)O)s1	404933997	GNKGZIMLRWRVHZ-UHFFFAOYSA-N	228.082	-0.048	50	10	BBGE	
CC(F)(F)C(=O)Nc1cccc(B(O)O)c1	404946454	OQOAIWVFAYQWOG-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1[C@H]2COC[C@H]12	404989743	ZGJVWFDLDBWEFI-YUMQZZPRSA-N	247.059	-0.803	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1CCCO1	405044638	CGOQNUJGBJXMKC-LLVKDONJSA-N	249.075	-0.838	50	10	BBGE	
OCc1ccc(F)c(B(O)O)c1S	575706506	XZQKKXKCKIRBPV-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
COC(=O)N/N=C/C(C#N)=C(\O)NC=O	584659040	VZJDGNBBULCAFU-VMTDUWPYSA-N	212.165	-0.633	50	10	BBGE	
CN1CCN(C(=O)OCCl)C[C@H]1CO	687590627	OHETYLJSTZPDIW-ZETCQYMHSA-N	222.672	-0.072	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)CCCC(=O)NN	688149527	XISMOLBFAFZKHG-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C(=O)O1	688531831	YFCKNWBNGLTTOT-ZETCQYMHSA-N	215.253	-0.013	50	10	BBGE	
CO[C@@H]1CCC[C@H]1n1ccc(B(O)O)n1	694277862	USLSWUKCARVKCY-HTQZYQBOSA-N	210.042	-0.697	50	10	BBGE	
Cn1nnnc1CN[C@]1(CCl)CCOC1	697763882	PSZBJTOLLPBLMX-QMMMGPOBSA-N	231.687	-0.302	50	10	BBGE	
CN(N)C(=O)C[C@@H]1CCS(=O)(=O)C1	704672138	DYMCWIFZCKOZKP-LURJTMIESA-N	206.267	-0.857	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@@H]3C[C@@H]32)c1	707089710	RRCSNYJGEFKIMQ-RNCFNFMXSA-N	247.103	-0.031	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ncccn1	718911065	TZGJRAKGYLXASH-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
CN(C)NC(=O)NCc1cnn(C)c1C(=O)O	719045692	PFLFVNAWSQQNNQ-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(O)(C#N)CC1	821980519	HTUWBHJMPURDKJ-SECBINFHSA-N	240.307	-0.505	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H](C)O	823041494	OJDVMKMHGQDCRR-SSDOTTSWSA-N	202.254	-0.049	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)C(=O)NC2CC2)[C@H]1C	844570589	BTQIZYYIBVUNEP-BQBZGAKWSA-N	239.275	-0.208	50	10	BBGE	
COCCN(C)NC(=O)CN1CC(C)(C)C1	848057732	ZSLFNLSMCIGKGE-UHFFFAOYSA-N	229.324	-0.062	50	10	BBGE	
Cc1nnc(NNC(=O)C2(C)COC2)n1C	856046245	CBZFWMAKPZQXCL-UHFFFAOYSA-N	225.252	-0.397	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)N(C)C)C1	900427517	MOYXRFSXZAOVAO-RNFRBKRXSA-N	215.253	-0.286	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@]1(C#N)CCCOC1	910181178	CSGXAOIXQDIASU-KOLCDFICSA-N	241.291	-0.349	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)c1cn[nH]c1	1131740727	GIWQKCDZSJVELA-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
Cc1nnc(O)c(C(=O)NN(C)C(N)=O)c1C	1137623867	PNWBLFACPDOEKX-UHFFFAOYSA-N	239.235	-0.546	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NNC(=O)N(C)C	1292256920	DERLKQYXRAXEPW-UHFFFAOYSA-N	227.224	-0.660	50	10	BBGE	
CON1CCC(C(=O)NN(C)C(N)=O)CC1	1331987917	XLYJMEKHQCRVGB-UHFFFAOYSA-N	230.268	-0.699	50	10	BBGE	
C#CC(C)(C)NC1=C(C#N)C(=O)NC1=O	1614949187	CMXKMDVRLJLKII-UHFFFAOYSA-N	203.201	-0.578	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@H]1CCC(=O)NC1	1623763437	KMWKUUCEHMWNAC-SSDOTTSWSA-N	243.263	-0.368	50	10	BBGE	
CCC(C)(C)[C@H](O)C(=O)NNC(=O)CN(C)C	1648530548	ALYNQOVTHLRPLE-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
OC[C@H](O)CNC[C@H]1C[C@H]1Br	1880433894	LCKIXRDYOJGBJN-FSDSQADBSA-N	224.098	-0.287	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H](O)CCl	1882778669	YAAQPIJDOJLVJM-YIZRAAEISA-N	204.701	-0.026	50	10	BBGE	
C=CCOC(=O)NN(C)S(C)(=O)=O	1888554727	PCGUBELDRSELPK-UHFFFAOYSA-N	208.239	-0.295	50	10	BBGE	
NOCCCS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1893118837	KJBGVFLALRJJNZ-RQJHMYQMSA-N	242.728	-0.187	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)C=CC(=O)Cl	1893410955	PUTWQHJRXZFEPR-QMMMGPOBSA-N	221.640	-0.833	50	10	BBGE	
O=C1NCCN(C(=O)F)[C@H]1C1CNC1	1893414845	GCJQHSPYGOSCFX-LURJTMIESA-N	201.201	-0.904	50	10	BBGE	
C[C@@]1(C(=O)NNCCO)CCCCO1	1896735429	OXHRPGQHKPXXOP-VIFPVBQESA-N	202.254	-0.441	50	10	BBGE	
C#C[C@@H]1N(C(=O)C2(B(O)O)CC2)CC1(C)C	1899888589	OFGMFMOTZVOFCE-QMMMGPOBSA-N	221.065	-0.136	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)CCCC(=O)NN)C1	1901767850	YVRGBBBTYOWJLL-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)COC2CC2)C1	1902521217	FSYQWZHHLOAHEA-JTQLQIEISA-N	227.069	-0.369	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1nc(B(O)O)cs1	1902658108	IMNSEENUGRTDBQ-BQBZGAKWSA-N	243.093	-0.626	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(F)(CO)C2)C1	1908356856	CBLOOGWTKPNQBH-DTWKUNHWSA-N	245.298	-0.591	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@@H]1CF	1909484799	KACMAYCIPHWGMV-GMSGAONNSA-N	237.039	-0.090	50	10	BBGE	
C[C@@H](CO)N(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909806025	UJLJTAJTYVTSQJ-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1CC(O)C1	1914601920	ZHJVSVWSNDOMSD-UHFFFAOYSA-N	223.223	-0.933	50	10	BBGE	
N#CC[C@H]1CCN(CCCC(=O)NN)C1	1915062961	LKMOYRUXVBURFC-VIFPVBQESA-N	210.281	-0.008	50	10	BBGE	
OC[C@]1(F)CCN(C[C@@H](O)CCl)C1	1917140401	HUSBLHHHGFUFMR-YUMQZZPRSA-N	211.664	-0.008	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CCOC1	1927816411	MNBQNIONXPDNFR-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2C[C@H]2C1	1928181620	OXPPTBVPFAMEGQ-BDAKNGLRSA-N	213.281	-0.665	50	10	BBGE	
COC[C@]1(C(=O)NNC(N)=S)CCCO1	1929048922	AHXPZQSRURONDB-QMMMGPOBSA-N	233.293	-0.954	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](O)C(F)(F)C1	1931831101	SLKIUTKBMWUXHV-RXMQYKEDSA-N	249.666	-0.133	50	10	BBGE	
C[C@H](CN1CCOC[C@H]1C1CC1)C(=O)NN	1936109756	BNQHATHOTPEYIZ-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
CCOC(=O)NCc1sc(B(O)O)cc1C	1939864328	NVHVZCKMUFMWMS-UHFFFAOYSA-N	243.093	-0.018	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC([C@H]2CC2(F)F)C1	1948095193	NYXDWFRKARIWEN-SFYZADRCSA-N	249.261	-0.422	50	10	BBGE	
COc1cc(C)ccc1C(=O)NCB(O)O	1951321820	IFTZZFNKXQZEHV-UHFFFAOYSA-N	223.037	-0.255	50	10	BBGE	
CC(=O)N1CCC([C@H](N)[C@@H](O)C#N)CC1	1952876152	COFUCVPWXGVAOZ-UWVGGRQHSA-N	211.265	-0.543	50	10	BBGE	
C[C@@H]1CC[C@@H]([C@@H](N)C(=O)NN(C)C)O1	1956967201	CRPGBNLTWHZOSD-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
CN(CC1(CF)CCC1)C(=O)C(=O)NN	1957625809	ZCWGNCVTPIEAQE-UHFFFAOYSA-N	217.244	-0.426	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@@H]2CO)[nH]1	1957828946	TVDLTWIRFNKDGU-UHNVWZDZSA-N	229.671	-0.762	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCOC[C@@H]1C(N)=O	1958796991	FRVKQMUSGIMASA-RNFRBKRXSA-N	234.683	-0.284	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCC(F)(F)C(=O)NN	1960619543	ZPHLJKKNAMWYPN-HNNXBMFYSA-N	244.267	-0.814	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1961544757	HJVSJYNQAGKPSS-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
OB(O)c1cnc(OCC2CC2)c(F)c1	1961686321	BZECZOIPMPXPFN-UHFFFAOYSA-N	211.001	-0.311	50	10	BBGE	
C[C@@]12CCCN(CCC(=O)NN)[C@H]1COC2	1976540495	SXJUHLFSYUSKRP-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
CCC1CC(Oc2ncncc2B(O)O)C1	1981424407	SPDKAKHSIIWXAH-UHFFFAOYSA-N	222.053	-0.276	50	10	BBGE	
Cc1ncnc(O[C@H](C)C(C)C)c1B(O)O	1981424583	VTVYWVHUVRQGQK-MRVPVSSYSA-N	224.069	-0.112	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H]2C)ccc1B(O)O	1981469129	MZYIWSYNEHMBDU-IONNQARKSA-N	220.081	-0.086	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CC2(F)F)n1	1985882941	FDYJUTWRKWMGAI-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1	1989163649	FTGGZJSXEIXEJB-RPQMDJCFSA-N	218.065	-0.535	50	10	BBGE	
NC[C@]1(CO)COCCN1C(=O)[C@H]1C[C@@H]1Cl	1991674338	CUVCCKFDHATKFE-NRPADANISA-N	248.710	-0.838	50	10	BBGE	
CCn1nnc(CNC(=O)C=CC(=O)Cl)n1	1992066772	XXJJGFRFOPAGAQ-UHFFFAOYSA-N	243.654	-0.369	50	10	BBGE	
C=C(CN1CC[C@@H](OC)[C@H](OC)C1)B(O)O	1992787337	OQLJSQATNSGQMX-NXEZZACHSA-N	229.085	-0.710	50	10	BBGE	
C[C@@H](C(=O)Nc1ccc(B(O)O)cn1)C1CC1	1996647791	RGABMXHVTPLHML-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C[C@H]1C[C@@H]1C(=O)NN	1997867035	YYRCVXJYWBFWAK-ZNSHCXBVSA-N	238.335	-0.752	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@@H](C)C#N)C1CC1	2003766416	YMACZNBDIGMFLY-WPRPVWTQSA-N	240.307	-0.385	50	10	BBGE	
CC(C)(CN1C[C@H]2OCC[C@H]2C1=O)C(=O)NN	2004648937	FBWIXHLFQLVACK-HTQZYQBOSA-N	241.291	-0.750	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1ncncc1B(O)O	2004916839	QPDIMMAWAIXVDN-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
OB(O)c1csc(N2CCn3cccc3C2)n1	2005018776	YEEMSYAGWKTIKB-UHFFFAOYSA-N	249.104	-0.355	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)CCO1	2005913043	NYJMAUPXYBXESS-JXUBOQSCSA-N	245.323	-0.918	50	10	BBGE	
CO[C@@]1(CN(C)C[C@H](C)C(=O)NN)CCOC1	2013416343	WCJROTFVPXZSHH-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
C=CC1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	2018851954	SLPXUKCDERSWPO-NXEZZACHSA-N	239.319	-0.375	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@@H]2OCC[C@H]2O1)B(O)O	2021158535	DWPXJVNSZVJBAQ-AXFHLTTASA-N	241.096	-0.567	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1ncccc1B(O)O	2025663404	VDHZGWZZVATJNZ-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@H]1C1CC1	2040767497	SHFFXUACOJOTKV-VHSXEESVSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccnc(N2CC[C@H]2CN(C)C)c1B(O)O	2052471661	GVWVTMCKQZINDV-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1nc(N2CC[C@H]3C[C@@H]3C2)ncc1B(O)O	2052623346	IHJMUFKNJAZLBP-JGVFFNPUSA-N	249.079	-0.989	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@]32C)n1	2052624809	UOZOEBMFAXOTBK-JOYOIKCWSA-N	247.107	-0.156	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)c1ccncc1B(O)O	2056383136	GZIZBIYWDFNCTD-LNLATYFQSA-N	248.091	-0.768	50	10	BBGE	
Cc1ncncc1CN(C)CC1(C(=O)NN)CC1	2058463058	ZAPHQPVGLNWZSY-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
NCc1ccc(B(O)O)c(C(F)(F)F)c1	2059116387	OBEAEXAKALBKFC-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
CCOc1cc(C#N)cc(C=O)c1B(O)O	2060176630	LMSTZZQLHYAPKW-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1cc(C=O)cc(C#N)c1B(O)O	2060185444	PUWYCVLYRWHAKZ-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)cc1C#N	2060205352	WTSQTTNKKFAMDC-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CNCCSc1ccc(B(O)O)cn1	2210065571	OUWMUCKGDUUSRX-UHFFFAOYSA-N	212.083	-0.927	50	10	BBGE	
CC[C@@H](COC)OCc1nscc1B(O)O	2211140487	NMZUZZFOJCVCGF-ZETCQYMHSA-N	245.109	-0.236	50	10	BBGE	
C[C@@H]1C[C@H]1CCn1cccc(B(O)O)c1=O	2211590369	DICJDGUOSPFXKC-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1(CO)CC1	2211837921	ABRWSMPCJAZHEV-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C#C[C@H](CC)Oc1cc(B(O)O)c(C)cn1	2212600321	UWUSBIJWFXOLLO-SECBINFHSA-N	219.049	-0.140	50	10	BBGE	
CC1(O)CC(Nc2cc(B(O)O)ccn2)C1	2212603756	QYNOVVMZSGANEJ-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
CC#CCCN=c1cc(B(O)O)c(C)c[nH]1	2212605149	YOGQXKOGQDSVCV-UHFFFAOYSA-N	218.065	-0.683	50	10	BBGE	
CC(C)[C@H](N)COc1cc(B(O)O)ccn1	2212605592	HJKAFHHTIIERRG-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
OB(O)c1ccnc(NCc2cc[nH]n2)c1	2212611135	VTZGPVDFZSHUDT-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](O)C2(CC2)C1	2215770516	CCJLVWIXFVDJKZ-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2216540174	MKZAHOZKXRIGRP-MYJAWHEDSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1	2217175898	OWTHLBBKLBSANJ-WKJUBOCMSA-N	230.076	-0.394	50	10	BBGE	
CCN[C@H](C)CNc1nccc(B(O)O)c1F	2217180710	KDZKNEFVIYJTNX-SSDOTTSWSA-N	241.075	-0.690	50	10	BBGE	
C[C@H]1CC[C@@H](Oc2ncccc2B(O)O)CN1	2217185373	WCVKGSKAQWWFNY-DTWKUNHWSA-N	236.080	-0.719	50	10	BBGE	
CN[C@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217196711	UAPWFRNRVBBVPI-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C1(CO)CC1	2217197500	NDKXADWPVSPXLE-MRVPVSSYSA-N	236.080	-0.666	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2C[C@@H]3C[C@@H]3C2)c1B(O)O	2222643509	QDQDDHBVKJIRGG-MYJAWHEDSA-N	247.107	-0.300	50	10	BBGE	
NC1(CNc2ccc(B(O)O)cn2)CCCCC1	2223630313	ZKDAVEFLIUIPGP-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
N#Cc1ccc(Nc2ncc(B(O)O)cn2)cc1	2223651219	AYSZWNMJPQFPQO-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC23CCOCC3)c1	2223666341	LGPWMVXDKNGSJA-JTQLQIEISA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]3CC[C@H]2O3)c1	2223673213	FAMXMOSGDDTWAV-FBIMIBRVSA-N	248.091	-0.259	50	10	BBGE	
CCc1cc(CNc2ncccc2B(O)O)on1	2223674348	KHVSWZDOTYKCBG-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@]12CCC[C@@H]1C2	2224033358	ZHMORZRMAVJHHY-SKDRFNHKSA-N	248.091	-0.497	50	10	BBGE	
C[C@@H](F)CCNC(=O)C1(B(O)O)CC1	2241473371	JCAJKKVDGXFJQX-ZCFIWIBFSA-N	203.022	-0.142	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1ccoc1B(O)O	2243356798	NADPCIJQVXMKBY-IYSWYEEDSA-N	243.455	-0.684	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccsc1B(O)O	2243359084	OPLFRALQCUHCNL-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1csc(B(O)O)c1	2243361950	JPAWLEFCIIFJNG-XPUUQOCRSA-N	239.105	-0.092	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@]1(C)CC1(F)F	2243398485	FJOZGMAAKPQGFL-POYBYMJQSA-N	231.007	-0.448	50	10	BBGE	
CC1(C)CCN1C(=O)c1cc(B(O)O)c[nH]1	2243399691	OYKSBRYJWFQMOA-UHFFFAOYSA-N	222.053	-0.681	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCCCO1	2243401271	OSNWIUXGDFYSFH-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
Cc1ccc([C@@H](C)NC(=O)C#CB(O)O)o1	2243403930	GHXFJOJXYHIXPH-MRVPVSSYSA-N	221.021	-0.219	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCO1	2243409456	IHEPSYANPBNMQP-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
O=C(NO[C@@H]1CCOC1)C1(B(O)O)CCC1	2243410524	CQAPQJUJRXWHPF-SSDOTTSWSA-N	229.041	-0.780	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243415911	FCYFCRZUXUNRRO-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
CN(Cc1cnns1)C(=O)[C@H]1C[C@@H]1B(O)O	2243425649	ANVCCHIICRJTMI-BQBZGAKWSA-N	241.081	-0.641	50	10	BBGE	
C[C@H](O)C(=O)Nc1ccc(Cl)c(B(O)O)c1	2243665816	WCQFEKHXEWKVTF-YFKPBYRVSA-N	243.455	-0.661	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1C(=O)NCC=CB(O)O	2243829442	HEHLIGAXILRTCH-PSASIEDQSA-N	227.069	-0.657	50	10	BBGE	
Cn1cnc(CN2CCC(B(O)O)CC2)n1	2244171259	QZTHHZKCQAFPAD-UHFFFAOYSA-N	224.073	-0.746	50	10	BBGE	
OB(O)C1CCN(CC2[C@H]3COC[C@H]23)CC1	2244179396	AXEQROSIFAXBSB-GHMZBOCLSA-N	225.097	-0.182	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cocc1B(O)O	2244205093	FSGMAEGZZVFXCD-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
CSCCCOc1nc(C)ncc1B(O)O	2244783071	OTRKDMXRADAVFF-UHFFFAOYSA-N	242.109	-0.403	50	10	BBGE	
C[C@H](COC(F)F)Oc1cc(B(O)O)ccn1	2246673639	SVOGHTDIGKGAIS-ZCFIWIBFSA-N	247.006	-0.232	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247748153	YVJBTAYLFLWGGH-JTQLQIEISA-N	236.080	-0.435	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750205	GDVAJVLQLVYPJI-LDYMZIIASA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1C[C@H](CCNC(=O)C2(B(O)O)CC2)CO1	2247754342	FUFDMUBHAMGRON-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@H]1N	2247755168	HKLJBCGQKNENFR-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)cn1C	2247762986	LDXWIEZDNMJOLV-SECBINFHSA-N	236.080	-0.671	50	10	BBGE	
NC1CCC(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247797694	MFBQXFTUEMGANK-FIORISEFSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@H]1O	2247798590	VPTUSJCGIWTTEL-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
Cc1nc[nH]c1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247810556	YHSVQRBKNXDLPD-YUMQZZPRSA-N	237.068	-0.461	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(C(=O)C2(B(O)O)CC2)C1	2247880074	YCCBSGCVPWWTCD-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](O)[C@H](C2CC2)C1	2247887151	KVEVQGPMWJARFW-KATARQTJSA-N	239.080	-0.921	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2B(O)O)o1	2247894076	CANYHHGGUAJFFF-SFYZADRCSA-N	238.052	-0.229	50	10	BBGE	
CCC(CC)(CN)NC(=O)C1CC(B(O)O)C1	2247909369	JAWLPLDPKACJPU-UHFFFAOYSA-N	242.128	-0.127	50	10	BBGE	
O=C(C=Cc1cccnc1)NCC#CB(O)O	2248401494	JQOHXEXQRUIAPL-UHFFFAOYSA-N	230.032	-0.774	50	10	BBGE	
Cn1cc(CCN2CCC(B(O)O)CC2)nn1	2249343990	VHWAMQNWGVAMGZ-UHFFFAOYSA-N	238.100	-0.704	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)C1(B(O)O)CCC1	2249621200	KOSFCDKZHGMBSI-HLTSFMKQSA-N	239.080	-0.323	50	10	BBGE	
CC1CN(C(=O)NCc2ccccc2B(O)O)C1	2254033359	IVZHIIJKVFGAOJ-UHFFFAOYSA-N	248.091	-0.472	50	10	BBGE	
CC12CCC(CC1)N2C(=O)c1cc(B(O)O)n[nH]1	2255547522	NSODSLHRTHYTSA-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
Cc1cccc(C(=O)N2CCCC2=O)c1B(O)O	2255735033	LRQYJJNROVWKKD-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
CN(C)c1ccncc1NC(=O)[C@@H]1C[C@H]1B(O)O	2255774975	UPAAGAVIBDRPIT-HTQZYQBOSA-N	249.079	-0.051	50	10	BBGE	
O=C(NCCC1CC=CC1)c1c[nH]nc1B(O)O	2255797170	COEPCHOGZPFANA-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2258122067	XMQWVOBLKKNLMK-SNVBAGLBSA-N	249.075	-0.004	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3CC[C@H]2C3)nc1	2298225680	NVLRHABWSSMBPL-KHQFGBGNSA-N	233.080	-0.243	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)C1(B(O)O)CCC1	2298368252	VMMPLNVWNSTDHG-CIUDSAMLSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](CCCCCO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368819	ZOQJXUVLVHRPPI-AEJSXWLSSA-N	243.112	-0.093	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCN[C@H]2C1	2298371128	AHJKKCDFNWZAKL-JLIMGVALSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371331	ICYLYONVJTVCSR-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@@H]1B(O)O	2298374905	SJMDQJHFLPVMBY-NHETZVSYSA-N	239.080	-0.875	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@@H](CCF)C1	2298376292	QBQTTZQHJMKQDL-XHNCKOQMSA-N	245.059	-0.564	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC2CC1(CO)C2	2299794156	CCGHVJSTYSGXCV-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@H](F)C1=O	2301876050	IEHWOVKNNPZGPG-ZETCQYMHSA-N	241.222	-0.047	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CCCC(=O)N2)C1	2303120577	KWWGHSFMISMKCZ-ONGXEEELSA-N	240.112	-0.406	50	10	BBGE	
N[C@@H]1CC[C@H]1COc1cc(B(O)O)c(F)cn1	2303848892	DZMWXVOFAAUCRA-IMTBSYHQSA-N	240.043	-0.983	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)CN1	2303857489	FKTVXTWJDSEZFI-RNFRBKRXSA-N	240.043	-0.970	50	10	BBGE	
C[C@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1O	2304182327	JWGXGEHIIOQFRP-SRQGCSHVSA-N	241.096	-0.533	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3OCC[C@H]23)cc1B(O)O	2312612418	WPKVWGQDTSGXHT-MIMYLULJSA-N	248.091	-0.341	50	10	BBGE	
C[C@@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2312853213	RJOKKPVQJSWZLT-JMJZKYOTSA-N	248.091	-0.008	50	10	BBGE	
C=CCC(CC=C)NC(=O)c1c[nH]nc1B(O)O	2313523164	XOYIIJWBVPNCOM-UHFFFAOYSA-N	249.079	-0.660	50	10	BBGE	
OB(O)c1cnc(OCc2ccncc2)c(F)c1	2317844656	YQYCJTITUXKEQU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
OB(O)c1cc(-n2ccc(C3CC3)n2)ncc1F	2320787581	JIPSRGYPCKVLEE-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
COCCNC=C(C#N)C(=O)N1CCNCC1	2324210202	WLNPHWWTUAIIIJ-UHFFFAOYSA-N	238.291	-0.938	50	10	BBGE	
O=C(O)[C@H](O)[C@H](Br)C(=O)O	1726899	NBLBTAVCTSCGBU-NHYDCYSISA-N	212.983	-0.720	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)NNC(N)=S	47098279	XBCHTASZRVCHKI-WHFBIAKZSA-N	202.283	-0.310	50	10	BBGE	
NNC(=O)c1cc(-c2ccco2)nc(N)n1	66134146	YNBVZLLSULKFMH-UHFFFAOYSA-N	219.204	-0.078	50	10	BBGE	
NNC(=O)CN1CCOc2ccccc2C1	82469267	RGJYGRXMSJBSLE-UHFFFAOYSA-N	221.260	-0.129	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC(C)(C)O1	82470074	JQTSQKQRHPOMEF-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CS(=O)(=O)CCNC(=O)CBr	84698514	IEIUBPCTNMKOTO-UHFFFAOYSA-N	244.110	-0.458	50	10	BBGE	
CN(C)S(=O)(=O)N1CCO[C@@H](CCl)C1	88097136	VGCKHSPYVMQHTC-ZETCQYMHSA-N	242.728	-0.268	50	10	BBGE	
NNC(=O)c1cc(COC[C@H]2CCOC2)on1	110566888	OYAWZRMDPRCZTC-ZETCQYMHSA-N	241.247	-0.169	50	10	BBGE	
CCOC(=O)CN/C=C(\C=O)[N+](=O)[O-]	169613980	VJQBEIAXVZDRTF-ZZXKWVIFSA-N	202.166	-0.544	50	10	BBGE	
COc1cc2[nH]cc(B(O)O)c2cc1OC	204510135	HHTGPRLLUKQOOO-UHFFFAOYSA-N	221.021	-0.135	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1ccc(C(N)=O)n1	211913952	FKXCJWVOZHNHOX-ZETCQYMHSA-N	225.252	-0.687	50	10	BBGE	
COC[C@H](S[C@@H](C)CO)C(=O)NN	232421843	QIOGIMZQAGZJGC-WDSKDSINSA-N	208.283	-0.895	50	10	BBGE	
CC[C@H]1OCC[C@H]1C(=O)NNC(N)=S	234141357	ZWPSHBSUEWBPSK-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(CCCCC(=O)NN)C1	235398734	XMUURCHOFHQCPZ-LLVKDONJSA-N	242.323	-0.656	50	10	BBGE	
OCc1cnc(C(F)(F)F)c(B(O)O)c1	238728528	DXHZINMMDBTTFK-UHFFFAOYSA-N	220.943	-0.728	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)[C@H](C)CO1	250663841	RBZJMRQAQVTIDJ-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
O=C=NCc1cccc(N2CC(=O)NCC2=O)c1	258292195	IILPDJOUSDLFPS-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCC[C@H]1CO	300018623	GTGYJGDTCAYQBR-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
Cn1ccc(=O)n(C[C@H](O)CCl)c1=O	306209521	SVSHPQPESFPQJT-ZCFIWIBFSA-N	218.640	-0.853	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)CCCCl)C1	309227049	RZYMKENSBYXPJN-JTQLQIEISA-N	248.710	-0.156	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)O1	310397040	HYHXXMKOQLTSJX-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CN1CC(CNS(=O)(=O)CCCl)C1	379437960	ILGUVLOIMRFIEX-UHFFFAOYSA-N	226.729	-0.294	50	10	BBGE	
CC1(O)CN(Cc2ccoc2C(=O)NN)C1	384049747	MMVCIOWLPWTMNC-UHFFFAOYSA-N	225.248	-0.550	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1C(=O)O	396127389	IDXZKQAJVRXEAG-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CC(C)C(=O)N(C)Cc1ccc(B(O)O)cc1	404990941	BWYZZXOQRKWVCD-UHFFFAOYSA-N	235.092	-0.019	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1cn[nH]c1	405009235	OWPNABRLVBDGPH-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
N#Cc1ccc(NC(=O)NCB(O)O)cc1	575453353	AQXVYVSKRXWYHD-UHFFFAOYSA-N	219.009	-0.308	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCSC1	689642174	NTFMYVSMFRQCPN-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@@H](C)O1	694926915	VFTVHSHEYPVTJV-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H]1COC[C@H]1N1CC(=O)OC(=O)C1	699871795	CSSNVKWLSIPZDF-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCSC1	704871299	CJEQIHDSNCCJNP-LURJTMIESA-N	217.294	-0.764	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CCCN(CC1)C2	706054150	SMPUAFPVBSJCHH-VIFPVBQESA-N	212.253	-0.828	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)CCS1(=O)=O	707159319	FECWKOMJOYISDT-SFYZADRCSA-N	241.740	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCCS1	718301314	XCWVGWNKGLQCIQ-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CC(C)(O)[C@H]1CCN(CCC(=O)NN)C1	721780259	YMKMYPLLMZFCNH-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
COCCO[C@H](C)C(=O)NNC1=NCC(O)=C1	748258918	FCUSADPFMDWCCN-SSDOTTSWSA-N	243.263	-0.487	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)Cn2ccnc2)n[nH]1	763120602	WMMNCKLAUUOAHM-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@]1(C)CCC(=O)NC1	910150053	LXFBDWAQOUZRKS-KWQFWETISA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CCl)N[C@H]1C[C@@H]2NNC(=O)N2CN1	953000229	MFYFWYNBMQZHBR-DSYKOEDSSA-N	233.703	-0.664	50	10	BBGE	
Cn1c(NNC(=O)CO)nc2ccccc2c1=O	1146764379	AZZQDJONSSSFLS-UHFFFAOYSA-N	248.242	-0.631	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H]2C[C@@H]21	1260932650	GFUJHELYKYSSCV-NTSWFWBYSA-N	211.670	-0.014	50	10	BBGE	
COC(=O)NNC(=O)c1c[nH]c(C)cc1=O	1558900225	FHFVLZJTLZOZSM-UHFFFAOYSA-N	225.204	-0.316	50	10	BBGE	
C[Si](C)(C)O[C@H]1CS(=O)(=O)C[C@@H]1N	1882033488	STHPQLYWEWXPMA-BQBZGAKWSA-N	223.370	-0.038	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CCNC1=O	1883493987	LCAFHQHNYXYSIV-WDSKDSINSA-N	204.657	-0.134	50	10	BBGE	
NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1Cl	1883635303	VPMMUWRHTWOUNA-CRCLSJGQSA-N	226.685	-0.982	50	10	BBGE	
CN(C[C@H](O)CCl)C1COCCOC1	1887272254	VVTWPRHRTWPLDS-SECBINFHSA-N	223.700	-0.067	50	10	BBGE	
CC(C)(F)CC(=O)NCC=CB(O)O	1892924191	NTFOXPGBZXWNSC-UHFFFAOYSA-N	203.022	-0.191	50	10	BBGE	
O=C(NC1(CO)CC(O)C1)[C@@H]1C[C@H]1Cl	1893471168	ZOLGWPIPASMODE-KYRXRGEHSA-N	219.668	-0.384	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@H]2C[C@H]21	1893497043	AWSVUJPAAFAGOZ-FJZRIBRESA-N	214.652	-0.119	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@@H]2CCCO[C@@H]21)B(O)O	1897283849	NORBDIPKAFVKJS-AXFHLTTASA-N	225.097	-0.089	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)CCCl)C[C@H]21	1900558192	KFWLXSKWHSCYRR-BDINMYNLSA-N	216.668	-0.195	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	1902134715	FRACWQBKMIYUDQ-CIUDSAMLSA-N	229.085	-0.675	50	10	BBGE	
CCNC(=O)CCN1CC[C@@](C)(B(O)O)C1	1902518553	UKMQAFLVFOFWRY-SNVBAGLBSA-N	228.101	-0.549	50	10	BBGE	
OCCCCSc1cc(B(O)O)c(F)cn1	1903004949	ACDRPLKHWJEJDO-UHFFFAOYSA-N	245.084	-0.235	50	10	BBGE	
CSCCCN=c1cc(B(O)O)c(F)c[nH]1	1903004974	AMDHJIFKHHCLIC-UHFFFAOYSA-N	244.100	-0.513	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ncc(B(O)O)s1	1903166625	OWYFCCJMUXUWHN-LURJTMIESA-N	240.093	-0.026	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@H]2CC[C@H]2C1	1905583861	KRUHVGDWEDSCSV-AEJSXWLSSA-N	238.096	-0.003	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H](C1)C2O	1906725521	BSLAYLJMDKHJQO-NLSOGMSDSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H](CO)N(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909806030	UJLJTAJTYVTSQJ-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
C=C(CN1C[C@H](OC)C[C@@H](OCC)C1)B(O)O	1910316780	JJMRZCNWSYWISS-GHMZBOCLSA-N	243.112	-0.320	50	10	BBGE	
C=CC[C@H](C)O[C@@H](COC)C(=O)NN	1913340782	ILDDNGBSERQGJH-YUMQZZPRSA-N	202.254	-0.028	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1CC(O)C1	1914575549	QOMTWQDLPCRINO-MSIFESELSA-N	215.297	-0.544	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)N2CC(O)C2)CC1	1917068038	RMSRABQZMXKNMF-UHFFFAOYSA-N	243.288	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154331	FVNZDQJMSLJRPQ-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCCNCCN	1923484554	VYZWFKIOCSWEDE-QMMMGPOBSA-N	234.369	-0.574	50	10	BBGE	
C[C@H](CN(C)Cc1csnn1)C(=O)NN	1930601540	VAISEVPZLBVMAZ-ZCFIWIBFSA-N	229.309	-0.404	50	10	BBGE	
NNC(=O)C1(Cn2cnccc2=O)CC1	1931266528	HJLUMHLOWWVZFX-UHFFFAOYSA-N	208.221	-0.987	50	10	BBGE	
N[C@@H](B(O)O)c1ccc2c(c1)COCC2	1932360493	VMNKPJKRSVQMSY-SNVBAGLBSA-N	207.038	-0.229	50	10	BBGE	
CC1(C)[C@H](NC(=O)C(=O)NN)C1(F)F	1933127019	HJYQCZJZIZLELZ-YFKPBYRVSA-N	207.180	-0.864	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936083786	KIITUDWZGVVCDP-HTQZYQBOSA-N	226.280	-0.630	50	10	BBGE	
C[C@H](CN(C)CCN(C)C1CC1)C(=O)NN	1936678923	IGSSPYOJLPGXQR-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)CCOCC(=O)NN)CO1	1941772789	NTEGSRPWJQVAJN-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C=C1CON(Cc2cc(F)cc(B(O)O)c2)C1	1944603418	DGTCCMKCBNQKGH-UHFFFAOYSA-N	237.039	-0.191	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)CCOCC(=O)NN	1947197461	AAZQWOQMBVNUCQ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@H]1COCCCO1	1948416982	MDBVQYCBMMROGO-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](CO)[C@H](C)O	1954186452	UUPHSLLDTCDZEC-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCS(N)(=O)=O	1954505114	BJNRGLCEEHBCFT-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)CCC1=O	1956255606	BBVIVQBWHGWUEC-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
O=C1[C@H]2CCO[C@H]2CN1C[C@@H](O)CCl	1956922734	ISMTZVXECXSWQG-FXQIFTODSA-N	219.668	-0.167	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	1958422647	KELTXGGELAIKJA-FKSUSPILSA-N	209.249	-0.767	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cocn1	1958693828	UTVSKYMXHMRROY-UHFFFAOYSA-N	212.253	-0.124	50	10	BBGE	
NNC(=O)N1C[C@@H](CO)[C@@H](C(F)(F)F)C1	1959590177	FQMCKOLXQRVYPG-WHFBIAKZSA-N	227.186	-0.328	50	10	BBGE	
NCCOCCSCCCCC(=O)NN	1961087757	QIVJCPUQLPNPTE-UHFFFAOYSA-N	235.353	-0.145	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)C(=O)NN)co1	1961254881	YRJSIZVAGHQENW-LURJTMIESA-N	212.253	-0.207	50	10	BBGE	
NNC(=O)N1CCC[C@@H](n2cncn2)C1	1961453415	WQSRZJKMFULSTN-SSDOTTSWSA-N	210.241	-0.502	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)NN)C1	1961459926	FYGZBGZUXKQFEA-DTWKUNHWSA-N	212.297	-0.014	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](CF)C1	1961591823	FMNIFXNGKQIGLI-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
C#C[C@H](CCl)NC(=O)c1c[nH]c(=O)cn1	1974768914	KJFLESFYKLVESN-ZCFIWIBFSA-N	225.635	-0.260	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(CF)C1	1975035566	SXWYFOPQOIFUTJ-SSDOTTSWSA-N	219.260	-0.717	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CC[C@]12CCCO2	1976842547	VMHSTARLCLCCHW-OIBJUYFYSA-N	227.264	-0.854	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@@H](CC)C(=O)NN	1978306384	WRHVHLJHXHNAJX-UWVGGRQHSA-N	229.324	-0.010	50	10	BBGE	
CCOCC1CN([C@H](C)[C@H](C)C(=O)NN)C1	1979178894	DIVRRUOTEHMRJU-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H]3C2)ncc1B(O)O	1981411715	NHLANVCBHOLTGA-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
C[C@H](C1CC1)N(C)c1ncncc1B(O)O	1981413047	ASEGOJCEHKFKRI-SSDOTTSWSA-N	221.069	-0.609	50	10	BBGE	
Cc1nc(OCC2CCC2)ncc1B(O)O	1981422206	LJPZDUGAKCAXSA-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3C[C@H]32)n1	1981468804	IPFAVAFMZACJID-IONNQARKSA-N	219.053	-0.937	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCN(C)C)n1	1982817658	YLVGBBYRNJXWQQ-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
O=C1NC(=O)[C@@H](C2CN(C(=O)OCCl)C2)N1	1986670020	RVSWCPZMIMXJJC-RXMQYKEDSA-N	247.638	-0.541	50	10	BBGE	
C[C@H](O)CC(=O)Nc1cccc(B(O)O)c1	1990069805	HANKMHXXXCZCOU-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)[C@@H]1C	1990774382	IECRWJCGCHEOSX-APPZFPTMSA-N	229.280	-0.737	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1991687680	WAJXNXCFEAYZFH-CWKFCGSDSA-N	247.678	-0.092	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)/C=C/C(=O)Cl	1991712955	NAGYRXPWYSTXOI-ICLLFREISA-N	244.678	-0.461	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@]1(CO)CCCO1	1991714277	DZGWGDOZOCXDMQ-VMZHVLLKSA-N	247.678	-0.034	50	10	BBGE	
CNC[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991715401	UGOUCJFDEJGJHI-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCSCC1	1992154444	YNDYIVORVFHTHO-SECBINFHSA-N	241.121	-0.349	50	10	BBGE	
Cc1cc(CNC(=O)N(C)C)sc1B(O)O	1993789920	XSPSJWBOAWDARX-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(C1)CC(F)(F)C2	1996780930	BQNWIFORJPTIKS-UHFFFAOYSA-N	247.245	-0.082	50	10	BBGE	
COCCOC[C@H]1CCCN1[C@@H](C)C(=O)NN	1996848115	FILYEOJIHXXDAP-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(COCCO)CC1	2002249404	XVMAMVLQFJZXPE-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H]1CN(Cc2c(C(=O)NN)cnn2C)[C@H]1C	2003506426	TZOUGBWXIWSRPB-YUMQZZPRSA-N	237.307	-0.136	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)C(=O)C1	2004301430	DPPZRXNKAQFVHJ-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
CN(CCCO)Cc1ccc(C(=O)NN)nc1	2007741344	PWVJEFBGAYTATR-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
C[C@@H](CCOc1ccc(B(O)O)cn1)N(C)C	2008232787	HODGQBRTAWVMHS-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CO[C@@]2(CCOC2)C1	2009144839	SRRFJHVXJSBDBW-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
Cc1nc(O[C@@H]2CCN(C)C2)ccc1B(O)O	2021067155	CSPRZHWUANJHFD-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC(C)[C@H](OCC1COCCOC1)C(=O)NN	2024301412	XJIFKUMLBSIHLR-JTQLQIEISA-N	246.307	-0.320	50	10	BBGE	
COC[C@]1(C)CCCN1CCOCC(=O)NN	2024860941	RUYCIYUBJGTDLN-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
N#CC1(O)CCN(c2cnc(N)c(N)n2)CC1	2025778129	OCYZVAWZCCBYRC-UHFFFAOYSA-N	234.263	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1c2c(ccc1=O)CCC2	2028052236	OXTZHCVIFIFNEF-VHSXEESVSA-N	247.298	-0.037	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H](C)N1C	2052490857	GWMDXASLGNNPLO-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
CN(Cc1cccn1C)c1ncccc1B(O)O	2052499063	NOIFSJLGUDBQCN-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
CC(C)(C)c1ncn(-c2ncncc2B(O)O)n1	2052595965	AJZXENGDVYLRJC-UHFFFAOYSA-N	247.067	-0.965	50	10	BBGE	
COc1cc(Cl)c([N+](=O)[O-])cc1B(O)O	2060015847	KNXVZTASDHRXLB-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
Cc1ccnc(N(C)C[C@H]2CCN2C)c1B(O)O	2066394661	JNPFDZANPZRNHK-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)c1cccnc1CN1[C@H]2COC[C@H]1C2	2077821288	WPGPBJWJUSFWQX-RKDXNWHRSA-N	248.286	-0.342	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)C[C@@H](F)C1	2210691509	HDXGBARWCXUFKB-RKDXNWHRSA-N	233.287	-0.449	50	10	BBGE	
CO[C@H]1CCN(CC2(C(=O)NN)CCC2)C1	2212263918	YMZQUNPBAIEWMZ-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@@H]2F)nc1	2212601113	ITJOMXCDKCLNEM-YUMQZZPRSA-N	225.032	-0.541	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]2CF)c1	2212601579	PWYBRTHNLJZRHB-VIFPVBQESA-N	224.044	-0.300	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2212613039	QZPQWCDANBBSCY-WCBMZHEXSA-N	222.053	-0.649	50	10	BBGE	
C#C[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214595431	LVIKYEJYWBFXCI-NSHDSACASA-N	229.088	-0.179	50	10	BBGE	
C[C@]1(O)CCN(CC2(C(=O)NN)CCCC2)C1	2216871344	NBWFPYCKSQPDCC-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1CNCC[C@H]1Oc1ncccc1B(O)O	2217168103	RXIYBPKJTOHFMX-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
CC(C)C[C@@H](CN)Nc1ncccc1B(O)O	2217171819	FOIIYFDCFKYQNV-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCO1	2217177410	ISIUXVFOUFMKJN-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
Cc1n[nH]cc1CNc1cc(B(O)O)ccn1	2217177425	IWHDVWRPJYTLFT-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]2CF)c1F	2217180926	LZRPFWXADCLWEQ-ZETCQYMHSA-N	242.034	-0.161	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@@H](F)C2)cc1B(O)O	2217182668	GCHLZGMJIKLTMW-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
CNC1(CCOc2cc(B(O)O)ccn2)CC1	2217185970	DVOUMNUFOUUISL-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CC[C@H](CCCN)Oc1ncccc1B(O)O	2217186379	JPPSVTQROQWIOC-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
NCCC1(Oc2ccc(B(O)O)cn2)CCC1	2217188595	QOGXPKRIXHVJCX-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
NC1(COc2ccc(B(O)O)cn2)CCCC1	2217190957	HENUTQDXAADPRW-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Oc1cc(B(O)O)ccn1	2217195424	KAIDKFBTDGSRGJ-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
C=CC1CC(N(C)c2ncc(B(O)O)cn2)C1	2217201970	GYCNKUBOLXSGDH-UHFFFAOYSA-N	233.080	-0.443	50	10	BBGE	
OB(O)c1ccc(NC2C[C@@H]3CC[C@H](C2)N3)nc1	2223669108	GAIOZEXAUAUPDO-ZACCUICWSA-N	247.107	-0.544	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)C(F)F	2241478608	IWWBCIDSZZBXFN-YFKPBYRVSA-N	204.969	-0.838	50	10	BBGE	
CO[C@H]1CC[C@H]1CNC(=O)C1(B(O)O)CC1	2243358038	AZZRCXSAWCKRRE-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C=C(CCN)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396425	LYMITYDJFFWDJU-KYZUINATSA-N	226.085	-0.739	50	10	BBGE	
O=C(NC1(CCO)CCC1)[C@H]1C[C@H]1B(O)O	2243404541	PWNPCHASQNUKDT-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)s1	2243406589	BEAVLWYSJWLSMP-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1csc(B(O)O)c1	2243408782	UZMYMJAHCQDESP-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@]12CCC[C@H]1C2)B(O)O	2243412140	HKZPHKJDRSNUQK-DTWKUNHWSA-N	245.109	-0.583	50	10	BBGE	
CO[C@@H](C)CCOc1cc(B(O)O)cnc1C	2246743836	PCIGIJAZMHDVDP-QMMMGPOBSA-N	239.080	-0.126	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ccccc1B(O)O	2246744727	SKEAPLIIPGIUCO-QMMMGPOBSA-N	234.064	-0.008	50	10	BBGE	
COC1(COc2ncccc2B(O)O)CCC1	2247369929	QUPDIGDVNNKGGD-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C(=O)C1(B(O)O)CCC1	2247732275	DYEHZYXDCIVESW-SECBINFHSA-N	241.096	-0.387	50	10	BBGE	
CN(CCn1ccnc1)C(=O)[C@@H]1C[C@H]1B(O)O	2247807152	HJKNOJMNVVCDIJ-RKDXNWHRSA-N	237.068	-0.796	50	10	BBGE	
CC1(C)CCO[C@H]1CCNC(=O)C#CB(O)O	2247850671	RKBYYEWZBIARLT-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](CNC1)C2)[C@@H]1C[C@@H]1B(O)O	2247859702	OFNDJOBUOKJIQY-SDNRWEOFSA-N	238.096	-0.892	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2247867543	HUGGDGZUNVVXDB-DIYOJNKTSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	2247880330	ZGIXKJYGCDQMDF-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1CN	2247896354	YOAAANHXWDGJIZ-QEYWKRMJSA-N	240.112	-0.707	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1B(O)O	2247898186	BAFCTAKKWWAOTR-NSRVDLHZSA-N	238.096	-0.670	50	10	BBGE	
CC(C)N(O)C(=O)c1cc(B(O)O)ccc1O	2248028805	OZALDKZRXPAPFR-UHFFFAOYSA-N	239.036	-0.688	50	10	BBGE	
C[C@]1(CC(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248588140	ZFQNYWYTXLMFST-BRDIYROLSA-N	241.052	-0.685	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1C[C@@H]1C(=O)O	2248588170	ZOXRUYSQNIHLST-YMVPXFTJSA-N	241.052	-0.925	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2248717454	SQUOAARIZDIAJF-CDLYGTGVSA-N	241.096	-0.362	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1COC2(CCC2)C1	2248792557	QAVUENOFRKFVEB-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)CC1COC1	2249013205	FTVTWSQEJQUTMW-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1CC1(C)C	2249428924	SOIMHVRZUXJHRB-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(CC1(C(=O)NN)CC1)C2	2249573370	AAPYDTAZJNWQNM-IUCAKERBSA-N	239.319	-0.541	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(C2CCC2)C1	2255458485	RPORMCIVIBMAKT-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
Cc1cocc1CNC(=O)c1occc1B(O)O	2255487053	JHNJUSZQMHCLJY-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cc(B(O)O)cn1C	2255509300	RDXCGVQOIFFKFP-JTQLQIEISA-N	248.091	-0.763	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H](C)C#N)cc1B(O)O	2255511815	PJTDXMCBNRILSJ-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCCO2)c1	2255512625	CMZGSRUXPDJJGM-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ncccc1B(O)O	2255516031	GIBUSBUZUUPSEW-VIFPVBQESA-N	248.091	-0.320	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCC2=O)c1	2255688797	AGOURAOQQUIYHH-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
CCC1(NC(=O)c2cncc(B(O)O)c2)CCC1	2255710365	JUQQCXCHNLFTIZ-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccoc1B(O)O	2255710671	NXWMJPOCMPIFLM-CWBSFMPJSA-N	247.059	-0.656	50	10	BBGE	
C=C1CC(N(C)C(=O)c2cncc(B(O)O)c2)C1	2255736553	PKKRLGDRJOVKMM-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368891	BEBAIHSJKPTKRW-AXTSPUMRSA-N	239.080	-0.610	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369187	MELQRFIUESIDHZ-YNFQOJQRSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](C1)C2(F)F	2298369479	VZEAKQXKILQCFJ-LXGUWJNJSA-N	245.034	-0.037	50	10	BBGE	
COC[C@@]1(C)C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298469054	VJEPTSPXZOJTSB-WCABBAIRSA-N	239.080	-0.347	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC2CC1(CO)C2	2299795944	MGLVCSSRESWVSK-YZRBJQDESA-N	241.335	-0.152	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)CCC(N)=O	2300398538	BNSCJPLIBTUGOA-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H](CO[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	2301612984	BGRSUQFKCBRZHG-CIUDSAMLSA-N	239.279	-0.376	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	2303420024	NHFIAQVXZIWMHU-USWWRNFRSA-N	241.335	-0.151	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC[C@@H]2C[C@@H]2C1	2309538408	VFRXFRGSJPLHRB-KKZNHRDASA-N	247.107	-0.219	50	10	BBGE	
CCN[C@H](C)CNc1ccc(B(O)O)cc1C#N	2317164573	AWPXRZCNGUDEIP-SECBINFHSA-N	247.107	-0.352	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2ccn3cnnc3c2)C1	2319654926	ASAWNRYFRXUCLQ-JTQLQIEISA-N	246.079	-0.222	50	10	BBGE	
CC1(C)[C@H]2CCC(=O)N(C(=O)C#CB(O)O)[C@H]1C2	2321058746	WIXAVXXOEKQEJB-IUCAKERBSA-N	249.075	-0.435	50	10	BBGE	
CC[C@H](C)NC(=O)C(C#N)=CNCCO	2324662298	RJEQYDOEVXMWBB-QMMMGPOBSA-N	211.265	-0.110	50	10	BBGE	
C[C@H](Cl)C(=O)NCCS(N)(=O)=O	36745594	JZUQNCUXFACZJV-BYPYZUCNSA-N	214.674	-0.982	50	10	BBGE	
CCOC1=C(C#N)S(=O)(=O)N=C1N	39099058	VTLHCRVSNYQDEK-UHFFFAOYSA-N	201.207	-0.541	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H](C)CC(=O)O	61182606	KJGSCHRXFUZJCE-SSDOTTSWSA-N	245.279	-0.661	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](CC)C(=O)NN	82469954	YZIGYJFYXONDIC-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)CCN1C	82485338	NWNABXQZRHITNF-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@@H](CN)SCc1cc(C(=O)NN)no1	85303047	BPTCVLVZMYYBCD-YFKPBYRVSA-N	230.293	-0.142	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2cnnc2C1	93072328	VEBBJPVLXXBUOB-JGVFFNPUSA-N	238.295	-0.892	50	10	BBGE	
CN(CC(F)F)C[C@H]1CC[C@H](C(=O)NN)O1	123074208	SKBCURCCJXKNCJ-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
COCCC[C@@H](NC(=O)NN(C)C)C(=O)O	149127561	WOMCTQVSQJYMGT-SSDOTTSWSA-N	233.268	-0.358	50	10	BBGE	
CC(C)C(=O)Nc1ccccc1B(O)O	199846523	LPKODNINELGCIA-UHFFFAOYSA-N	207.038	-0.039	50	10	BBGE	
COC(=O)[C@@](C)(NNC(N)=O)C(C)C	238385951	HZEKVKRWZQVUCX-QMMMGPOBSA-N	203.242	-0.253	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H]1C[C@H]1C(=O)OC	271343145	JXTJSNOWMQXTNQ-NKWVEPMBSA-N	243.263	-0.512	50	10	BBGE	
CC#CCCNC(=O)NNC(N)=S	306302685	HCLBVSBQSXZTCK-UHFFFAOYSA-N	200.267	-0.553	50	10	BBGE	
Nc1cc(O)c2ccsc2c1B(O)O	306756072	QWRSJHOOSKGXNI-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COc1c(F)cc(F)c(OC)c1B(O)O	308970669	PDFUUKYYAOHDIJ-UHFFFAOYSA-N	217.964	-0.338	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(CC(C)(C)C(=O)NN)C1	310108909	DRQAGPUAXNDPPM-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H](CO)N(C)C[C@H](C)C(=O)NN	379003798	CHIUJGAAMBMEOL-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCc2cc[nH]n2)[nH]1	381026316	YBFPIOHEOILOAG-UHFFFAOYSA-N	239.670	-0.220	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CN2CCC1CC2	382416443	MTWUOZOBUZTXSO-GHMZBOCLSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)Nc2ccc(B(O)O)cc2)O1	404980633	NVMMYOXFXALGHU-GZMMTYOYSA-N	249.075	-0.128	50	10	BBGE	
CSCC(=O)NCc1ccc(B(O)O)cc1	405044904	CHMJHRXMIAGGCL-UHFFFAOYSA-N	239.105	-0.654	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1CCCCC1	405148990	PLOLOFJZGXUJDY-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
CC(C)(C)OC(=O)N1CCO[C@H](B(O)O)C1	687827742	ZHJWBDJGQOPXSX-ZETCQYMHSA-N	231.057	-0.366	50	10	BBGE	
CS(=O)(=O)N1CCC(CB(O)O)CC1	691200861	DNQBHYHBZGALFQ-UHFFFAOYSA-N	221.087	-0.869	50	10	BBGE	
CC(C)[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	691373710	VAHBUHDPSOFEAV-HTQZYQBOSA-N	229.280	-0.752	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@@H](C)CC(=O)NN	692096239	OSXKEFPGIBVTSO-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
Cn1cc(/C=C\C(=O)NNC(N)=S)cn1	700873547	MXPPPRFZWNCVFG-IHWYPQMZSA-N	225.277	-0.702	50	10	BBGE	
O=C(CCc1ccncc1)NCB(O)O	702008913	ZCBFMHQKCSPQJJ-UHFFFAOYSA-N	208.026	-0.858	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](N2CCC2)C1	702302662	TXEPFERPDFKDAG-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
N#CC1(O)CCN(Cc2ccc(NN)nn2)CC1	704115299	UBMCSSIJXBRICZ-UHFFFAOYSA-N	248.290	-0.387	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C(F)F)C1	707183810	RLXJOXVWIDTJMJ-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CCC[C@H]1O	708051817	RCCOLFKQEWRPCO-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2OCC[C@H]2C1	724823467	UTZMWKONAJDOSD-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
CC[C@H](C)C(=O)NNS(=O)(=O)N1CCC1	795301722	BKXRKHVBOQNOML-ZETCQYMHSA-N	235.309	-0.396	50	10	BBGE	
CN(NC(=O)CNC(=O)c1cccnc1)C1CC1	819649275	NBOOHFZDTRZKIP-UHFFFAOYSA-N	248.286	-0.063	50	10	BBGE	
C[C@H](N)CCC(=O)N1CCC(O)(C#N)CC1	821981680	XDUSRJGCAYFPES-VIFPVBQESA-N	225.292	-0.009	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NN(C)C(N)=O	847637296	YXTHSRKHRMTOQA-QMMMGPOBSA-N	203.242	-0.563	50	10	BBGE	
NC(=O)CC(=O)NNC(=S)NCC1CCC1	855091187	FQAFDNGWVMXCRI-UHFFFAOYSA-N	244.320	-0.843	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@]1(C)CCCO1	910165383	HNQSYCTXADOZKW-SCZZXKLOSA-N	216.281	-0.101	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1cccc(F)n1	1149019897	ZIRFHJNLUNGTAE-UHFFFAOYSA-N	239.206	-0.470	50	10	BBGE	
CO[C@H]1COCC[C@@H]1CC(=O)NN(C)C(N)=O	1446344633	YREBSLALJLGTCM-SFYZADRCSA-N	245.279	-0.530	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)C(C)C	1587203120	BWOYUBWSIQVORZ-QMMMGPOBSA-N	213.281	-0.116	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@H]1C[C@H]1Br	1881354013	RCRMZSJMQMORKP-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
CN1CCN(C(=O)F)[C@H](C(N)=S)C1	1882788153	UBGXLAAHDSTJOS-YFKPBYRVSA-N	205.258	-0.022	50	10	BBGE	
OB(O)c1cncnc1SCC1CC1	1885053450	ZVHCJJGLUMHZLT-UHFFFAOYSA-N	210.067	-0.342	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](F)C[C@@H](F)C1	1885916983	QSZOZCPRANAUDZ-FSDSQADBSA-N	207.224	-0.253	50	10	BBGE	
CN(CCN)CC(=O)NC[C@@H]1C[C@@H]1Cl	1893108410	SEDJSFIPSSRRLG-YUMQZZPRSA-N	219.716	-0.380	50	10	BBGE	
COC(=O)NC1CN(C[C@H](O)CCl)C1	1893483830	XHMWASDIWMCQPT-SSDOTTSWSA-N	222.672	-0.374	50	10	BBGE	
CN(CC(=O)NN)C1CC2(CSC2)C1	1893771386	RWYMROKARMLDJJ-UHFFFAOYSA-N	215.322	-0.196	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CC[C@@H]1C	1899936898	HSFFKMSFCYFCHJ-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cnsc1B(O)O	1900468621	YJFIYAVYCPWIIZ-LURJTMIESA-N	238.077	-0.895	50	10	BBGE	
CN(NC(=O)CC1=CCNCC1)S(C)(=O)=O	1901344982	ZDWYMXNCPKJURV-UHFFFAOYSA-N	247.320	-0.781	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](C)N1	1901376996	IVPWVLMGRMNMGA-HTQZYQBOSA-N	249.336	-0.562	50	10	BBGE	
CN(CC1(O)CC1)CC1(C(=O)NN)CCC1	1901650306	OFIQMQWPHPIEGR-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC[C@H](COC)OCc1nc(B(O)O)cs1	1902655165	ZZFNYGMTZCZWKU-SSDOTTSWSA-N	245.109	-0.236	50	10	BBGE	
C[C@H](O[C@@H](C)C(=O)NN(C)C)C(=O)O	1906804233	ZEJATWDCECEJLF-WDSKDSINSA-N	204.226	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[C@@H]2C1=O	1906966442	UBSQCGJPPCNIOK-QCLAVDOMSA-N	237.303	-0.129	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@H]1CO	1909056276	NORMRRRBXNFZFI-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@H](C)C(=O)NN	1913468711	MHJDIPJLANAMQR-ZETCQYMHSA-N	237.325	-0.716	50	10	BBGE	
CN(CCF)C[C@H]1CC[C@H](C(=O)NN)O1	1917254736	DFOBVXJYJJRKIB-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
CC=CCS(=O)(=O)NNC(=O)OC	1927701965	ODOZZMATWNDSMD-UHFFFAOYSA-N	208.239	-0.247	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1[C@H](O)CO	1928572897	BXGRCHKWZJSEMF-XLPZGREQSA-N	237.683	-0.806	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@H]1C[C@H]1C(=O)NN)C2	1936086391	UYLKWWDYEBUTHC-LOKLDPHHSA-N	225.292	-0.524	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](C)COC	1936088087	JPJLRPOEZHDNJR-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)Cn1cncn1	1937141893	ZKENQSYAWGDQQU-ZCFIWIBFSA-N	246.654	-0.825	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CNC[C@H]32)CC1	1940258420	JZFUYJLAWFWVRS-MYJAWHEDSA-N	235.287	-0.671	50	10	BBGE	
COCC[C@H]1CCCN(CCC(=O)NN)C1=O	1945615054	IMUSCRJDZKWIFE-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@@H]1CO	1945883220	VWZLNVCMLSKOOJ-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCCCC2=O)CC1	1945884943	ZDOGRTUQENWVQZ-UHFFFAOYSA-N	239.275	-0.314	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnnn1C	1950439299	PXSRPSJVTMUSGD-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
OC[C@@H](Br)Cn1cnnn1	1951617575	PCARJOGSXZTTOA-BYPYZUCNSA-N	207.031	-0.571	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)CBr	1953595003	FEPCDZWJIWZEAW-ZETCQYMHSA-N	240.097	-0.369	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(NC(N)=O)C1	1955959633	DZGAJDJBWFZBOY-RXMQYKEDSA-N	219.672	-0.260	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N([C@H](C)C(=O)NN)C1	1957739479	RAVJSEYTHMMNJP-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CCCOC1CN([C@@H](CC)C(=O)NN)C1	1958195113	FTOFTTPMWFBBOM-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1961572216	QMPGGUVJWRMMIW-KZVJFYERSA-N	213.281	-0.790	50	10	BBGE	
OB(O)c1cnc(N2CC(F)C2)c(F)c1	1961719067	XRTSCXQWDDLJIW-UHFFFAOYSA-N	213.980	-0.941	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(B(O)O)cc1	1962943740	PZAHPTFBBLENED-ZETCQYMHSA-N	225.028	-0.546	50	10	BBGE	
CN(C[C@H]1C(F)(F)C12CC2)C(=O)C(=O)NN	1979192040	VGWYOIHVUHKEJG-RXMQYKEDSA-N	233.218	-0.520	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(CCCC(=O)NN)C1	1979550699	JKOPAJJSBPETTA-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
Cc1nc(NN)nc(C)c1C(=O)NN(C)C	1980598271	OCVXMKGJJQAUKK-UHFFFAOYSA-N	224.268	-0.415	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCP(C)(=O)CC1	1981159182	VMXJUNQNNQYHJJ-QMMMGPOBSA-N	249.251	-0.700	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ccc(B(O)O)cn1	1981413242	DFAFTVJZSPXIOQ-DTWKUNHWSA-N	220.081	-0.146	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@H]1C(F)F	1982684968	LKZVEEQQPBQZTD-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
COCC1CN(CCC(F)(F)C(=O)NN)C1	1984129255	AVSCVSMTNPFZAX-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
N[C@@H]1C[C@@H](CNC(=O)C=CC(=O)Cl)C[C@@H]1O	1991651983	LHILKLBISQUPFW-PRJMDXOYSA-N	246.694	-0.478	50	10	BBGE	
COCC(COC)CN(C)CCC(=O)NN	1992713750	RXCSMMGJQJKQBR-UHFFFAOYSA-N	233.312	-0.793	50	10	BBGE	
O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1CC1CC(Cl)C1	1993227633	POAXODSGIBFUCZ-YZCPJLSGSA-N	249.694	-0.506	50	10	BBGE	
C[C@]1(CCO)CCN1CC(F)(F)C(=O)NN	1994707570	QTDWRJXVCZFGQP-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccns1	1996646354	TUJIXJLWMPVQMR-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCC[C@]2(CO)C1	1997171115	RQWLLAXCUJNBAE-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCN(Cc2c(C(=O)NN)cnn2C)C1	2003505754	HOSNECHEZSQRIE-MRVPVSSYSA-N	237.307	-0.135	50	10	BBGE	
CN(c1ccccc1)c1ncc(B(O)O)cn1	2004912709	XDTKIMTYMRCULW-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
Cc1ncnc(N(C)CC2(C)CC2)c1B(O)O	2004975302	XACLTUBVLLVXIM-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CCOC1CN(c2ccc(B(O)O)c(C)n2)C1	2005014593	NQZCSMDYRYWSOI-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CC(C)(F)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	2005930598	NYNRFFGVFULRRF-MRVPVSSYSA-N	243.282	-0.061	50	10	BBGE	
C[C@H](CN1C[C@H](O)CCC12CCC2)C(=O)NN	2006120932	YOHKKDHDZNNVGR-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1[C@H]2CCC[C@H]21	2008843645	CEMXCIMNABXUQG-ILWJIGKKSA-N	233.076	-0.426	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cccc(C(=O)NN)n1	2011376197	XKWFBDCJIBDZRH-XVKPBYJWSA-N	236.275	-0.750	50	10	BBGE	
CC[C@H](OC[C@@H](C)N1CCOCC1)C(=O)NN	2013805217	YOLJNLBPHYGGFL-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OC(C)(C)C1	2019216044	ZFTHDORJXJHLQK-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncccc3B(O)O)C[C@@H]12	2025800717	MDHDNLHRJYCLOI-UTLUCORTSA-N	232.092	-0.146	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2052470319	CACFZICRHIEHPG-APLZJWDSSA-N	245.091	-0.753	50	10	BBGE	
O=Cc1cc(Cl)cc(F)c1B(O)O	2060105536	DYCLAJYUYONEID-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1c(C=O)cc(Cl)cc1B(O)O	2060132889	OUFFGPNUEIZIMA-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COc1c(C#N)cc([N+](=O)[O-])cc1B(O)O	2060284549	IORQBIKMMJSNRW-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
OB(O)c1ccnc(-n2cc(F)cn2)c1F	2212596838	XENDQLCGOYDVLB-UHFFFAOYSA-N	224.963	-0.775	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1ncccc1B(O)O	2212606497	VFBVOXZRAFRCTE-JGVFFNPUSA-N	224.069	-0.403	50	10	BBGE	
CCC(CC)Cn1cc(B(O)O)cnc1=O	2212717378	QUTHEHSEMZBHOP-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213881511	GCXSWIKOEOOEJV-KXUCPTDWSA-N	247.314	-0.204	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)C2(C)C	2215876554	SUZPCWPXQQXUHM-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H](O)C2CCC2)c1	2217175725	MSMHNIDCBVCEOB-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)CCCNC1	2217184897	SAKPDQDYARKWNK-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
CN(CC1CC(F)C1)c1cc(B(O)O)ccn1	2217197014	WQWSGOBEUFFUJH-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3OCCC[C@@H]32)c1	2217198119	WVRYHLIMENFDGN-IEBDPFPHSA-N	234.064	-0.649	50	10	BBGE	
CCC1(N)CC(Nc2ccc(B(O)O)cn2)C1	2217203293	SEYJSQUFSWTAKS-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
CC(C)(Cn1cc(B(O)O)cnc1=O)C(F)F	2217409220	PSBWRQYBJSVRJB-UHFFFAOYSA-N	246.022	-0.786	50	10	BBGE	
COc1cc(C)ccc1C(=O)NCC#CB(O)O	2218602052	BSSCVUFGZPPYDM-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
O=C1CCCN(Cc2cccc(B(O)O)c2)CC1	2220056163	BRNWCABEDULTPQ-UHFFFAOYSA-N	247.103	-0.079	50	10	BBGE	
OC[C@H]1C[C@@]2(CCN2c2ccc(B(O)O)cn2)C1	2223641645	CHLQHQQDVKQCQN-OTCDBFHCSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CNCC[C@H]32)nc1	2223666556	MNZQKDFXZLSPLD-JMJZKYOTSA-N	248.091	-0.862	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)CF	2241714850	GNPLBCTZIDBBGY-RQJHMYQMSA-N	207.249	-0.719	50	10	BBGE	
CC[S@](=O)N1CCC(B(O)O)CC1	2241736884	MERRTKVMTPGWLL-ZDUSSCGKSA-N	205.088	-0.391	50	10	BBGE	
O=C(O)CSC[C@H](NC(=O)F)C(=O)O	2242112982	OFFIGQTZVYXLSW-VKHMYHEASA-N	225.197	-0.064	50	10	BBGE	
CC(C)(F)CNC(=O)c1cc(B(O)O)c[nH]1	2243349532	MWVVGDBCYPJNPH-UHFFFAOYSA-N	228.032	-0.828	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCOC2)C1(B(O)O)CC1	2243358686	JHAZMVSFXCIJSZ-IONNQARKSA-N	225.053	-0.711	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2243362537	SJEUEGNZEFVVOA-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1csc(B(O)O)c1	2243362651	UNNPCJMURZKOKB-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1cccnn1	2243396592	OFRWTTJMRWZGQD-NKWVEPMBSA-N	221.025	-0.698	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC2CC1C2	2243415361	SSDTYRPUIZMUDH-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
Cn1cc([C@@H](N)C(=O)N[C@H]2C[C@H](Cl)C2)nn1	2243971258	CBDHOARJELGAKS-ATRFCDNQSA-N	243.698	-0.299	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC[C@@H]1C(F)F	2244085034	SWTUPMQGACFDQM-RITPCOANSA-N	235.234	-0.226	50	10	BBGE	
CN(O)CC(=O)NNC(=O)c1ccccc1	2245939246	SFYBGYRAXDFXGH-UHFFFAOYSA-N	223.232	-0.231	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CCC1	2247734983	XEBUMOGXSZQNFI-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2nsnc2c1	2247744749	XOTZOZMVDUWENL-UHFFFAOYSA-N	247.044	-0.355	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1(B(O)O)CC1)C2	2247750224	GIXIUGHNPCTXFC-HRDYMLBCSA-N	238.096	-0.668	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](O)C[C@@H](F)C1	2247785672	OUUMUOXESFRWCB-BZNPZCIMSA-N	245.059	-0.829	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCNCC12CC2	2247792077	QRYDIPYVMUSZMI-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
CC(C)CCN(C)C(=O)c1c[nH]nc1B(O)O	2247800554	QDMDTIGCWINZPN-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
O=C(NCc1cccnc1)[C@H]1C[C@H](B(O)O)C1	2247805917	LELKLEANXGJFTI-MGCOHNPYSA-N	234.064	-0.049	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1C[C@@H]1B(O)O	2247809578	ZUCMQLIEDXYMHU-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCC[C@H]1O	2247810754	ZWMGPZDBCYSDJZ-HORUIINNSA-N	241.096	-0.389	50	10	BBGE	
Cc1cc(C(=O)NCC2CCC2)oc1B(O)O	2247860168	SQUXDLKBCSDLCW-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=CCCC1	2247868396	FWMGJKLDGSPKQZ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C2CC2)n1	2247870733	OYEPZOKBDZRECF-UHFFFAOYSA-N	234.064	-0.696	50	10	BBGE	
COCCN(CCC#N)C(=O)[C@H]1C[C@@H]1B(O)O	2247895675	UWOPRHUBDBSLCH-IUCAKERBSA-N	240.068	-0.762	50	10	BBGE	
CC#CCC(=O)Nc1cccc(B(O)O)c1F	2248446161	WHSSMEFEJWCMAM-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
O=C(N1CC2CC1(C(=O)O)C2)C1(B(O)O)CC1	2248573953	LWONZKCCTJQSCK-UHFFFAOYSA-N	239.036	-0.931	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)co1	2249429518	WIJAEHGUVNIEFM-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1coc(B(O)O)c1	2255454581	PZYYYRMJQLJCDN-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
Cc1cccc(C(=O)Nc2cnoc2)c1B(O)O	2255508800	DHGQBBNXNGKAHL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2255564821	RJOKKPVQJSWZLT-IEBDPFPHSA-N	248.091	-0.008	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)ccc1[N+](=O)[O-]	2255669137	JYKVBCTXCATTAC-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
C=CC1CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2255679312	GKIQKTYMXVHJCA-UHFFFAOYSA-N	248.091	-0.267	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cc(B(O)O)c[nH]1	2255681767	WYWXSGCDQUXAST-CDDJKKQXSA-N	246.075	-0.921	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCCN1	2255683128	RBXSPLHZGQZPTN-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)cc2O)CC1	2255937337	SWALSBBAPHTIBS-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2258153663	VVORPYGLFUEGQB-SDCKUUTBSA-N	247.059	-0.560	50	10	BBGE	
Cc1ccnc(OC[C@]23C[C@H](CO2)C3)c1B(O)O	2260702439	XJLNVQBNJWFETH-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368858	AMWKBKXJJQQOCL-DOLQZWNJSA-N	240.112	-0.422	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCC[C@H]1C[C@@H]1C(=O)NN	2300393167	KCCFDJNONIOPGS-CIUDSAMLSA-N	242.323	-0.802	50	10	BBGE	
CN(CCCCCCC(=O)NN)C(CO)CO	2300627536	BUJFDZAMAZTQDV-UHFFFAOYSA-N	247.339	-0.788	50	10	BBGE	
CC[C@@H](CN)Oc1ccc(C=O)c(B(O)O)c1	2301422637	JMEHAAKRIULKBY-VIFPVBQESA-N	237.064	-0.705	50	10	BBGE	
NNC(=O)C(=O)Nc1cc(F)c(CO)cc1F	2303339637	QWXAEVBFJCBDRX-UHFFFAOYSA-N	245.185	-0.615	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](C1)NC2)C1(B(O)O)CCC1	2303703912	PRGGKEPWITWCAF-WPRPVWTQSA-N	238.096	-0.606	50	10	BBGE	
C[C@H](CCCO)Nc1cc(B(O)O)c(F)cn1	2303847924	QGXYRDRWWJVHCM-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)C(C)(C)N	2303855406	MCKAKEIQCQNKOS-LURJTMIESA-N	242.059	-0.595	50	10	BBGE	
C[C@H](CN(C)C)Nc1ccc(B(O)O)cc1C#N	2317162993	NGYOQVWVPNHOTQ-SECBINFHSA-N	247.107	-0.400	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H](CO)C1CC1	2317163584	QVLTXBQNOBQURJ-LBPRGKRZSA-N	246.075	-0.579	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(c1ccc(B(O)O)cn1)C2	2317402417	CQIODCRAMBCYAP-HLUHBDAQSA-N	248.091	-0.889	50	10	BBGE	
Cc1ncc(CNC(=O)C(=O)NN)s1	49540303	SQYQHHRWKSMEIL-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
C[C@@H]1CCCC[C@H]1NC(=O)COCC(=O)NN	58839018	YHYYECIVCJXGKH-RKDXNWHRSA-N	243.307	-0.312	50	10	BBGE	
NNC(=O)c1cc(-c2ccccn2)n[nH]c1=O	82461261	STWLLOLZCOVPKX-UHFFFAOYSA-N	231.215	-0.565	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CCN(C)CC1	82466473	GUBZLSCSKVLALG-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CN2CCC[C@@H]2CN1CCC(=O)NN	86933483	AFVIIWBEISOPIQ-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
NCC(=O)NNc1nncc(-c2ccccc2)n1	169315101	QOZPBYOEYQAWGQ-UHFFFAOYSA-N	244.258	-0.060	50	10	BBGE	
COCCC(=O)NCCNC(=O)CCCl	169918309	DMCAZCUICMGXSH-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](C(N)=O)C1	218349630	NREAHJDTTLNRQK-NTSWFWBYSA-N	204.657	-0.053	50	10	BBGE	
NC(=O)/C(N)=N\NC(=O)c1ccc(Cl)cc1	220099044	ZRPUGLGYBIYINL-UHFFFAOYSA-N	240.650	-0.173	50	10	BBGE	
Cn1cc(OCc2cccc(C(=O)NN)n2)cn1	236115113	AEWQTFBMNPYJMM-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
CC(C)CCCNC(=O)NCC(=O)NN	238142197	QNFITDHJJZOMNN-UHFFFAOYSA-N	216.285	-0.288	50	10	BBGE	
CCOC(=O)c1ncc(C)cc1B(O)O	238282552	IRIQGIVYWCHHBT-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
C=C(NC(=O)Cc1ccccc1)C(=O)NN	238654067	RBJIOHZMBHASSJ-UHFFFAOYSA-N	219.244	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@](C)(O)C1	253063157	GKZPFCHHYIOPJA-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)S[C@H](C)C1	300000212	ZPBNFDNOYOLBBH-IWSPIJDZSA-N	247.364	-0.183	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1CCCC(=O)NN	304474047	AXNNFHOXTYZMKH-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](CCO)C(C)C	381517918	SUWZBMYQEYRLCV-VIFPVBQESA-N	231.296	-0.850	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CN(C)C)C1	382361201	VQWOJHGEMRUGQR-SECBINFHSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1CC(c2ccc(Cl)nn2)=NO1	382691047	RCBXHAKLDAZDHS-LURJTMIESA-N	241.638	-0.387	50	10	BBGE	
CC(C)C[C@H]1NC(=O)C[N+](C)(C)[B-]1(O)O	389381400	QLUFKCFBNOAXPT-MRVPVSSYSA-N	216.090	-0.930	50	10	BBGE	
O=C(O)CCc1cc(S)ccc1B(O)O	396023896	KLUUMCXKMFLUPQ-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
Nc1cc(B(O)O)c(CO)c2ccsc12	396245170	ILSCZQYBZXDIPM-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)C[C@@H](CO)C1	398847577	TYMRJQYWQOPKEH-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCOC[C@H]1C	398905001	FQXASDNBORMYTR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)[C@H](C)C(=O)NN)CO1	401555754	CUOANDRYRVOEEL-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(B(O)O)cc2)CO1	405025500	KITSZVQYNJISTM-RKDXNWHRSA-N	249.075	-0.270	50	10	BBGE	
NNC(=O)C[S@](=O)CCN1CCCCC1	526893757	ZUWRGOWVXFBGKC-OAHLLOKOSA-N	233.337	-0.789	50	10	BBGE	
NC(=S)NNC(=O)c1cnsn1	606277519	KBJWBZHFKQMQKV-UHFFFAOYSA-N	203.252	-0.984	50	10	BBGE	
CN(N)C(=O)C1=C=NN(C)[C-]1Br	642818137	ZIBRLQJAIZVTNY-UHFFFAOYSA-N	232.061	-0.341	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ccnn1C	689552467	LSHDODIIAUJGSE-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@](C)(CO)COC	689813563	YWWQXKISZYGMEA-PSASIEDQSA-N	233.312	-0.916	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1=O	690215257	YAHCKACBDJLJGP-DTWKUNHWSA-N	242.323	-0.837	50	10	BBGE	
CCc1nc(N)nc(N2CCC(O)(C#N)CC2)n1	692090966	FTSVNYWVAGLYOO-UHFFFAOYSA-N	248.290	-0.129	50	10	BBGE	
CO[C@H](CN(C)C(=O)C(=O)NN)C1CCC1	692135007	FPMTUKSRVBFLKU-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
COc1ccc(Cn2cc(B(O)O)cn2)cc1	694500171	HFEMEQBSHPMAAL-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H](C)CO	695076274	GPCVPNIUPVFVIP-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1	703809918	WNKRHRBKEYWQHW-QCLAVDOMSA-N	229.324	-0.296	50	10	BBGE	
CC[C@]1(O)CCCN([C@H](COC)C(=O)NN)C1	710210534	RCDHNUBSQSGMAG-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@H](O)C[C@H]1C2	710474332	DPMQLZXVMQXGEC-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](O)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	719827708	NDWWBFXQJOQWNS-BWZBUEFSSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H](O)C1CN(S(=O)(=O)CCCl)C1	719966843	SZBNZTGPXKLUSM-ZCFIWIBFSA-N	227.713	-0.132	50	10	BBGE	
Cn1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)nn1	844611553	KAOPXNIXYDLQQH-KXUCPTDWSA-N	249.274	-0.167	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H]2C[C@H]21	1260932652	GFUJHELYKYSSCV-RITPCOANSA-N	211.670	-0.014	50	10	BBGE	
N#CCCNC(=O)NNC(=O)[C@H]1CCCCO1	1312603962	CNTMIPAHBBQLRC-MRVPVSSYSA-N	240.263	-0.200	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)ccn1	1463147132	CPZIFZRNLQZVLL-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@]1(O)CCOC1	1626786813	UHVDWPHZUJPNHJ-JTQLQIEISA-N	245.279	-0.732	50	10	BBGE	
O=C1CN(CC#CBr)CC(=O)O1	1881438745	RVBHJNVDMHLNJB-UHFFFAOYSA-N	232.033	-0.272	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)[C@@H](O)C1	1882907758	RZIAHMSWWDJURE-RNJXMRFFSA-N	204.657	-0.455	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552828	OKUAWHASHHKOCX-ZTYPAOSTSA-N	206.673	-0.562	50	10	BBGE	
NC(=O)C1(N)CN(C[C@H]2C[C@@H]2Br)C1	1883558629	SFVIQBZKXZJWMB-RITPCOANSA-N	248.124	-0.732	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1(C)C	1885615395	AKGDVDYJBIQTBF-ACZMJKKPSA-N	221.684	-0.044	50	10	BBGE	
COC(=O)C1(O)CN(C[C@@H]2C[C@H]2Cl)C1	1893099430	OWJMWADUJOKKCC-NKWVEPMBSA-N	219.668	-0.167	50	10	BBGE	
CS[C@@H]1CC[C@H]1N(C)CC(=O)NN	1893808993	XAPPOBVDLWARCD-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
C[C@H](O[C@@H]1CCCN(C)C1)C(=O)NN	1895025820	OKWPASIONLTCOK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@]1(CNS(=O)(=O)CCl)CCNC1=O	1899576980	ASEZMPIXSWZNGW-ZETCQYMHSA-N	240.712	-0.372	50	10	BBGE	
CCC[C@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901340890	LMSQPURVWMSCSF-QMMMGPOBSA-N	249.336	-0.431	50	10	BBGE	
CCN[C@@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901360886	YKWUPYSIHTWJMH-ZETCQYMHSA-N	249.336	-0.560	50	10	BBGE	
COCCOCCCOC[C@H](C)C(=O)NN	1901432906	JQBMIFCLYRNACD-VIFPVBQESA-N	234.296	-0.318	50	10	BBGE	
O=S(=O)(C1CC=CC1)N1CC[C@@H](B(O)O)C1	1902548092	GWMQZENNYCZUNF-MRVPVSSYSA-N	245.109	-0.417	50	10	BBGE	
C=C1COCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	1904706647	VGXCRWDAVLLUSL-BDAKNGLRSA-N	225.053	-0.736	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3OCC[C@@H]3O2)CC(=O)O1	1906135092	JUVKPVNLHFREIS-CIUDSAMLSA-N	241.243	-0.682	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CC[C@@H]3C2)nc1	1908992388	MAHQZKHNPMKSRF-VHSXEESVSA-N	232.092	-0.002	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOCC12CC2	1915586903	CIQHKBQVBRWYJL-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc([N+](=O)[O-])c1	1936083826	KWSZTMLPXXGCQP-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
C[C@@H]1OCCN(CC2(C(=O)NN)CC2)[C@@H]1C	1938230795	MXLNNKZRXCXBPP-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3OCCC[C@@H]32)CC(=O)O1	1938612445	ZJHSISRXPWWRFI-IWSPIJDZSA-N	225.244	-0.061	50	10	BBGE	
CC(C)[C@@H](OCCO[C@H]1CCOC1)C(=O)NN	1940247225	YHPCUKFRNJBCQZ-VHSXEESVSA-N	246.307	-0.177	50	10	BBGE	
CN(Cc1cnn(C)c1)C[C@H]1C[C@H]1C(=O)NN	1941081393	XFRIUVHREQUVTD-NXEZZACHSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H]1CCO	1941088787	RXKGUGJQYHKFDU-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
CO[C@H](Cn1cc(B(O)O)cn1)C1CCCC1	1945164200	KLCJZYCDTICIHZ-LLVKDONJSA-N	238.096	-0.232	50	10	BBGE	
Cn1nccc1COc1cncc(B(O)O)c1	1945467701	CJXHJCOPOOWKLA-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
[C-]#[N+][C@H](C)[C@@H](CS(C)(=O)=O)NC(C)=O	1951437968	IMUWQZOULRVEKE-HTRCEHHLSA-N	218.278	-0.157	50	10	BBGE	
O=C(CCl)N1CC[C@@H](OCCO)C1	1954843081	CXMQECUUGCJRCY-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1CCl)C1CS(=O)(=O)C1	1955094413	CMSIXZWWQDERNG-VDTYLAMSSA-N	237.708	-0.226	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@@H]2C[C@@H]21	1956876386	PYVKIDMSLLKOJG-NTSWFWBYSA-N	218.640	-0.066	50	10	BBGE	
CCOc1nc(C(=O)NNC(N)=O)co1	1961729942	AVHQUEGYCLRBTR-UHFFFAOYSA-N	214.181	-0.614	50	10	BBGE	
C[C@H](Cn1ccc(O)cc1=O)C(=O)NN	1962442551	QQHCKEIRFPSNLY-ZCFIWIBFSA-N	211.221	-0.820	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@H]2C[C@@H]2C1	1967964105	QPSBRFYYDOYZID-HLTSFMKQSA-N	224.069	-0.393	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC12CC(CO)C2	1976886577	XMOLTXLGMYHXHT-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
CCO[C@H]1C[C@@H](OC)CN(CC(=O)NN)C1	1978976439	BMRCWHVLKRHMCP-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](N)CSCc1nn(C)cc1C(=O)NN	1980594275	SGKZAPKUHVLDQQ-ZCFIWIBFSA-N	243.336	-0.396	50	10	BBGE	
C[C@H](CO)SCc1nn(C)cc1C(=O)NN	1980594604	ULWKIPLXEUJMRA-ZCFIWIBFSA-N	244.320	-0.362	50	10	BBGE	
NNC(=O)CCCCN1CC=C(CO)CC1	1980965846	AQTNCAGJLCLFNU-UHFFFAOYSA-N	227.308	-0.229	50	10	BBGE	
Cc1ncnc(OCC(C)(C)C)c1B(O)O	1981420134	GMOGWEVNFVMCLK-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(COC2)C1	1984121343	BTRRMFQMAZXBBL-UHFFFAOYSA-N	235.234	-0.666	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)C[C@H]2COCCN12	1986929303	LXVRHWKAUQJIAQ-DTWKUNHWSA-N	248.710	-0.871	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1COC	1988556418	GAJRXNPHSHVYNJ-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
O=C(NC1CCC1)N[C@@H]1CCC=C1B(O)O	1991328169	SHQXJRYDLGWFJS-SECBINFHSA-N	224.069	-0.061	50	10	BBGE	
C=C(CN1C[C@]2(COC)C[C@@]2(C)C1)B(O)O	1992167156	FLPQAGNKDQCHHJ-QWRGUYRKSA-N	225.097	-0.087	50	10	BBGE	
CC(C)=CCC(=O)N[C@H](CB(O)O)C(=O)O	1993587692	MXWQMJRTJXJTQK-SSDOTTSWSA-N	229.041	-0.615	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@]12CC[C@@H](CO1)C2	1993696081	IHYZOXQHEBTMCJ-XSSZXYGBSA-N	227.264	-0.950	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)C[C@@H]1CO	1994832217	CIDASGUMFIXZNS-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CC1(C)C[C@H](CCn2ccc(B(O)O)n2)CO1	1997128517	VBNSDICIHTULDV-VIFPVBQESA-N	238.096	-0.232	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999844905	BKQQUXQIHZKXPR-QUARPLMYSA-N	241.335	-0.296	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000813962	JZJMXCPZYSLPKN-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(COC(C)C)C1	2001338908	YGAZMYNNXCBPTR-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	2002917918	XCZSDNQVUMQIQC-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2ncnc2C1	2003925402	KSWDRNREFJGGLY-SFYZADRCSA-N	238.295	-0.892	50	10	BBGE	
Cc1cnc(OC[C@H]2CCOC2)c(B(O)O)c1	2004936419	ZCTHMICLYNHTOH-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
CN(C1CC1)C1CN(CC(F)(F)C(=O)NN)C1	2005177055	LBSLKTYUICNSFS-UHFFFAOYSA-N	248.277	-0.610	50	10	BBGE	
CC[C@@H](OC[C@@H]1COC(C)(C)CO1)C(=O)NN	2009656736	QTHVBVOJGAHBTH-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@H](C1)O2)C(=O)C(=O)NN	2010674559	MLOAXIDGOCJDGG-AYMMMOKOSA-N	241.291	-0.608	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]12C[C@@H](CO)C2	2011132826	XSGIAPWDDBKNSG-XWEPSHTISA-N	249.261	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012895058	FZBZEOHDPBQRJX-HWUMTFDVSA-N	241.335	-0.296	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	2014270388	JPLODKZMODWKDQ-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@H]1CF	2016763560	MZJLWBMBGKVCJY-XPUUQOCRSA-N	238.027	-0.695	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccnn1C	2019209455	JRGCBCLRDXADFG-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
C=C(CN(C)Cc1cn(C)nc1OC)B(O)O	2021162392	GERLSKUMDSPHHU-UHFFFAOYSA-N	239.084	-0.571	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1occc1C(=O)NN	2023144791	URCIFZIHKBANIE-SECBINFHSA-N	239.275	-0.162	50	10	BBGE	
CN(CC(F)F)CC12CC(C(=O)NN)(CO1)C2	2023851833	CBQJGCUQSLIYMR-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@@H](C2)C1	2052467185	NQWLYYOVXKZVIK-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1ncnc2c1ncn2COC1CCC1	2055736976	BEDNQLUCUQXEND-UHFFFAOYSA-N	248.051	-0.967	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)c1ccc(B(O)O)cn1	2056383432	IOYWCYXIFRZEHP-FOGDFJRCSA-N	248.091	-0.768	50	10	BBGE	
CN(C)CCC1CN(c2ccncc2B(O)O)C1	2056601406	RYDHALHERQGHDH-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(CC#N)C2)n1	2066305551	SECVCESNSITQRN-UHFFFAOYSA-N	248.290	-0.631	50	10	BBGE	
C[C@H]1C[C@@H]1CCn1cc(B(O)O)ccc1=O	2211591445	UHYKTYWVPFMOEL-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)cc1Cl	2211726945	KLXPQSFMRHAHBQ-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(CCCO)C1	2212383717	JXAHEBATPDDNMB-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C#CC[C@@H](CC)Nc1cc(B(O)O)ccn1	2212601588	PZCMFSQULABXKG-SNVBAGLBSA-N	218.065	-0.025	50	10	BBGE	
C[C@@H]1SCC[C@@H]1Nc1ncc(B(O)O)cn1	2212613151	SLSULQJLEHDLTG-XPUUQOCRSA-N	239.109	-0.538	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2OC[C@H]3CCC[C@H]32)n1	2213221149	JDMVOKGYLFXMLB-BBBLOLIVSA-N	236.080	-0.622	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC[C@@H](CO)C1	2215777023	QFGPVUFMRKMYJQ-VWYCJHECSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H](O)[C@H]1C2	2215778090	XFUHTSOFNXDPDJ-QGKZMRNZSA-N	239.319	-0.542	50	10	BBGE	
CC1(O)CCN(CC2(C(=O)NN)CCC2)CC1	2216494683	DJMIQUUTEBAPSN-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@H]2CC2(F)F)c1	2217174213	XKGGNCUYGONMDK-ZETCQYMHSA-N	242.034	-0.360	50	10	BBGE	
CNCCC[C@H](C)Nc1ncccc1B(O)O	2217174389	YMORVELJEXYMOA-VIFPVBQESA-N	237.112	-0.439	50	10	BBGE	
CC1(C)C[C@H]1CCN=c1ncc(B(O)O)c[nH]1	2217203677	YUIAEXNZSMMLAZ-MRVPVSSYSA-N	235.096	-0.574	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205358	XSTABIAIACHFAC-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
O=C1[C@H]2CC[C@@H]2CN1Cc1cccc(B(O)O)c1	2220062699	NAQJMMTUEHPDNT-PWSUYJOCSA-N	245.087	-0.265	50	10	BBGE	
OB(O)c1cccc(CN2CCCNCCC2)c1	2220071437	KMBLMWGYPNIQBM-UHFFFAOYSA-N	248.135	-0.448	50	10	BBGE	
C=C[C@]1(Oc2cc(B(O)O)c(C)cn2)CCNC1	2223621465	VBGRLXKAHWWGSD-LBPRGKRZSA-N	248.091	-0.633	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncccc2B(O)O)CCN1C	2223632284	HUKNBYKCIAWIQF-NXEZZACHSA-N	249.123	-0.344	50	10	BBGE	
C#CCCN(c1nccc(B(O)O)c1F)C1CC1	2223644128	FFIVMJLHGWUZKR-UHFFFAOYSA-N	248.066	-0.107	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCO[C@@H]1C1CC1	2223666717	KZAGKKJBKMOMNV-WDEREUQCSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(c2ncccc2B(O)O)C1	2223670099	SNXBRAMKFFKFDY-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
O=C(F)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2241297577	LYOBQVXFAPNBMH-ACZMJKKPSA-N	205.185	-0.464	50	10	BBGE	
O=C(N1CCSCC1)C1(B(O)O)CC1	2241473236	GGIYFJZZYRBRJA-UHFFFAOYSA-N	215.083	-0.431	50	10	BBGE	
O=C(NCC1(Cl)CC1)[C@H]1C[C@@H]1B(O)O	2241495688	LOROQKFOTYRGIS-WDSKDSINSA-N	217.461	-0.263	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@H]1[C@H](O)CO	2241810521	FEDUBQIZJFJXQM-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
OB(O)c1cc(=NCCF)[nH]cc1Cl	2242392019	PEECPUKVOGPFKJ-UHFFFAOYSA-N	218.424	-0.782	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1COC(=O)C1	2242586928	JBDRYCGWKOHSQK-SCSAIBSYSA-N	220.612	-0.634	50	10	BBGE	
O=C(N[C@H](CO)C(F)(F)F)C1(B(O)O)CC1	2243363840	NHCLCAJKAQXAAN-SCSAIBSYSA-N	240.974	-0.967	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CC2)CCC[C@@H]1O	2243364908	FCIDXWYUQSDDOX-IONNQARKSA-N	227.069	-0.587	50	10	BBGE	
O=C(Nc1ccc(O)nc1)[C@@H]1C[C@@H]1B(O)O	2243383204	VOCLLNCCRHQJII-RQJHMYQMSA-N	222.009	-0.411	50	10	BBGE	
C=CCCN(C)C(=O)c1sncc1B(O)O	2243385666	MMZZZOROFQOFIY-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
COCCCCNC(=O)C1CC(B(O)O)C1	2243396875	RZGAMVPCSSCKIF-UHFFFAOYSA-N	229.085	-0.218	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1N	2243408746	UOEDRLLJSYGZCH-HTQZYQBOSA-N	226.085	-0.811	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2243410149	WARRFQIBXHCEQY-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCOC1	2243413214	BMDHJWHKMROUNV-KTOWXAHTSA-N	227.069	-0.465	50	10	BBGE	
CCn1cc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2243415480	VURPPWATVRTFSX-JGVFFNPUSA-N	223.041	-0.296	50	10	BBGE	
C#C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2243419800	HALFXUXYSOVQQH-KXUCPTDWSA-N	221.065	-0.233	50	10	BBGE	
COC(=O)Nc1ccc(F)c(F)c1B(O)O	2243521032	DRYAQXXQKNLLHF-UHFFFAOYSA-N	230.963	-0.177	50	10	BBGE	
CCNC(=O)[C@@H](C)N1CCC(B(O)O)CC1	2244180698	QAJNUHVTQMAQLN-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
OB(O)C=Cc1ccn(C[C@@H]2CCOC2)n1	2244403962	NBWDAZTTWNTWSW-VIFPVBQESA-N	222.053	-0.055	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H](F)C(F)(F)F	2244554547	BTZYWBCULCGWMO-RXMQYKEDSA-N	240.949	-0.592	50	10	BBGE	
C[C@H](O)CCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912687	FJBZBRKXCJCFAE-LURJTMIESA-N	244.487	-0.981	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1O[C@H]2CC[C@H]1C2	2247733273	AKEHNIFFHCZALK-YUMQZZPRSA-N	237.020	-0.732	50	10	BBGE	
CCC(CC)NC(=O)c1ncc(B(O)O)cn1	2247745159	DCRNQDKKDIYQND-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2247753366	GDAOUECWMKJSFD-RNLVFQAGSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCNC1	2247754670	FFBOWEHQADJJOO-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2(C)CC2)c1	2247760735	MRIPDWSZZPWHDV-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H](C)O1	2247787665	RYJSHSPEMMFYOL-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790109	FQNBPFGDZLZLCY-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCCO1	2247798883	XZXXWPXOOUXESG-ATZCPNFKSA-N	241.096	-0.075	50	10	BBGE	
C[C@]1(CO)C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247798939	YMGKGGYIZDMVCW-FXPVBKGRSA-N	239.080	-0.611	50	10	BBGE	
CC1CC(CO)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247800535	PXYOUEHALBQZNK-UVCIYIGYSA-N	241.096	-0.626	50	10	BBGE	
C[C@H](CC1CNC1)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810110	UVZGVQZUXYPWBT-SZEHBUNVSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCCCc1cn[nH]c1)[C@@H]1C[C@@H]1B(O)O	2247810155	VGJIILZWCPYAFM-BDAKNGLRSA-N	237.068	-0.679	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247846696	KVOOJILRUCEINT-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
CN(CCCCCCN)C(=O)C1(B(O)O)CC1	2247872260	PMMVCJKKKWECGI-UHFFFAOYSA-N	242.128	-0.029	50	10	BBGE	
C#CC1(CNC(=O)c2occc2B(O)O)CC1	2247874843	QCWOLBNQUINTDU-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CCC[C@H](C1)N2	2247887478	OPNPTOWDBXCLLX-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
CC(C)NCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894161	CYTFILZFALHPSB-MGCOHNPYSA-N	242.128	-0.256	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247899270	LYWAQHCJOLWDLW-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CO2)[C@@H]1C[C@H]1B(O)O	2247900632	YJLDWBCHSKIPMW-SRQGCSHVSA-N	239.080	-0.467	50	10	BBGE	
CC1(CO)CC(NC(=O)C2CC(B(O)O)C2)C1	2247909313	HYWWHZYASPBSPU-UHFFFAOYSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CCC(=O)O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2248573755	JJOYSAAMKYAWCF-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
O=C(NN1CCCCC1)c1cocc1B(O)O	2249416543	TYVYNFMBRHOXFF-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)C1(B(O)O)CC1	2253338147	FQBOWVCGKSFNAF-LURJTMIESA-N	248.038	-0.812	50	10	BBGE	
Cc1ccnc(NC(=O)c2ccoc2B(O)O)c1	2255467113	ISZLUVHIKIRMGO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(C)c(B(O)O)c1	2255510677	ZFPODXHSESADLF-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
CN(CCc1ccncc1)C(=O)[C@H]1C[C@H]1B(O)O	2255572238	WYZPSTFNALXCSZ-WDEREUQCSA-N	248.091	-0.055	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1ccc(B(O)O)o1	2255674444	XXPYXHLCIGHHAT-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@H]2C1	2255725701	YXCDGOUPZDQHDV-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@H]21	2255729752	ACGMBKFNWPXEHI-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(C)c1B(O)O	2255735483	VBCPRVKOKMWBST-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccn1C1CC1	2258958203	FKCMPHZHYRKHOD-UHFFFAOYSA-N	246.075	-0.042	50	10	BBGE	
N[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C12CCC2	2298368647	QBTXAHJTWSZUHR-BZNPZCIMSA-N	238.096	-0.765	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368985	FEVVXKFJWAWXRO-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C2(CCC2)C1	2298370097	OKPKDRNTWOKEJR-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)C(=O)[C@@H]1C[C@@H]1B(O)O	2298370183	RDZXKQSWOCQAMS-CUJWVEQBSA-N	239.080	-0.800	50	10	BBGE	
C#CCCCOC(=O)N[C@H](CB(O)O)C(=O)O	2300762239	AWMMGDOTMSTHIL-SSDOTTSWSA-N	243.024	-0.948	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301493185	VPDKJMPKEUMDHP-GMOBBJLQSA-N	241.335	-0.010	50	10	BBGE	
CC(C)N1CC(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2302833959	RKVKKKRYPWMBKA-NXEZZACHSA-N	240.112	-0.694	50	10	BBGE	
N#CC1=CCN([C@@]2(C(=O)O)COC[C@@H]2N)CC1	2305250609	JTGPIQOJKHPEGS-ONGXEEELSA-N	237.259	-0.677	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H]1CN	2317166427	UZICJCKJNUWOHX-KWQFWETISA-N	245.091	-0.613	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H](C)SC	66655545	OEMLSMXYKBXGDY-LURJTMIESA-N	220.294	-0.078	50	10	BBGE	
NNC(=O)CCCN1CCSCC1	82470970	WJEQSHZMJUKFEY-UHFFFAOYSA-N	203.311	-0.195	50	10	BBGE	
NC(=O)[C@H]1CCCN1C(=O)CBr	82506153	GHUSFCFGIRJXFC-RXMQYKEDSA-N	235.081	-0.142	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](C)CCC(=O)NN	104107598	WDZBITIRNNBYSF-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](N2CCCC2)C1	223088169	UVJPDVFOEXAEIL-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSC(C)(C)C1	232420799	MPHQDKJAAMEIMA-QMMMGPOBSA-N	247.364	-0.181	50	10	BBGE	
COC[C@@H](S[C@H](C)CCO)C(=O)NN	232421670	OKAYNGQTTBSWIA-RNFRBKRXSA-N	222.310	-0.505	50	10	BBGE	
OCc1ccc(B(O)O)c(C(F)(F)F)n1	238724983	AZWZPKOPNZKVOH-UHFFFAOYSA-N	220.943	-0.728	50	10	BBGE	
C[C@@H]1CN2CCC[C@H]2CN1CCC(=O)NN	251528257	AFVIIWBEISOPIQ-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
O=C1NC[C@@H]2[C@@H]1CCCN2C[C@H](O)CCl	299994213	DTFSPDQLZLBXHJ-HRDYMLBCSA-N	232.711	-0.204	50	10	BBGE	
C[C@H]1CN(C[C@@H](Cl)C(=O)O)S(=O)(=O)C1	306479991	IOOXFHGPJSLSLX-NTSWFWBYSA-N	241.696	-0.040	50	10	BBGE	
CN1C[C@H](NC(=O)C(C)(C)CCl)C(=O)N1	307210738	MXTXIDDMVBYALQ-LURJTMIESA-N	233.699	-0.287	50	10	BBGE	
CC(C)CC(=O)NNC(=O)CC1CNC1	310035351	TVKCELXPAFGLHG-UHFFFAOYSA-N	213.281	-0.211	50	10	BBGE	
C[C@H](CO)N(C)Cc1nc(C(=O)NN)cs1	378764157	VDUZAHDXDBBTLN-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
NNC(=O)c1occc1CN1CCS1(=O)=O	395557213	DOZPNJRMITZEQZ-UHFFFAOYSA-N	245.260	-0.972	50	10	BBGE	
CCOC(=O)CCc1cccc(O)c1B(O)O	396057722	MKGOMAMDFLYZQE-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
O=C(CC1CC1)Nc1cccc(B(O)O)n1	404914463	MVERXJWPLBKARJ-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
C[C@]1(C(=O)Nc2cccc(B(O)O)n2)C[C@@H]1F	404964052	AWMQQCVDGMNSTD-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
CN(CCO)CCN(C)S(=O)(=O)CCl	691289562	ZDMCFVNAEADWBF-UHFFFAOYSA-N	244.744	-0.632	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccc(O)nn2)CC1	692133217	HECGNLRLBQTJBD-UHFFFAOYSA-N	248.242	-0.327	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](C#N)C1	693988263	XFWLGDSMFBXUCM-DJLDLDEBSA-N	210.281	-0.154	50	10	BBGE	
COC1CC(CN(C)C[C@H](C)C(=O)NN)C1	703369150	MPVUJTPIGRYPDZ-IDKOKCKLSA-N	229.324	-0.031	50	10	BBGE	
CC[S@](=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703422856	ULCDWYVIADLYKJ-UFIJUMAVSA-N	245.300	-0.329	50	10	BBGE	
CN(N)C(=O)CCn1cnc([N+](=O)[O-])c1	704635667	POGNEDLRZLRLED-UHFFFAOYSA-N	213.197	-0.487	50	10	BBGE	
NC(=S)NNC(=O)Cc1cccnc1	706017856	HIPSYGOOKPQBKB-UHFFFAOYSA-N	210.262	-0.512	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(n2ccnc2)C1	707388509	KWMSBRMPZSOIKI-SECBINFHSA-N	223.280	-0.492	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2C[C@H]2C2CC2)c1	714932169	LWHAZQMPBBLYMS-KOLCDFICSA-N	220.081	-0.001	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([C@H](C)O)C1	719807486	ODOXRECOZAUJBC-CBAPKCEASA-N	215.297	-0.687	50	10	BBGE	
CC(C)(CN1CCS[C@H](CO)C1)C(=O)NN	720071998	YPUURLOQYIMELX-QMMMGPOBSA-N	247.364	-0.588	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)c1cnn[nH]1	751376260	XTLRZZDWUBGPLL-BQBZGAKWSA-N	235.247	-0.388	50	10	BBGE	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H]1COCCO1	784125975	QGRFVCXWNOOHNZ-JGVFFNPUSA-N	248.254	-0.457	50	10	BBGE	
CCNC(=O)NNC(=O)CN1CC(C)(C)C1	847390000	AHKFVIIGJSPMIL-UHFFFAOYSA-N	228.296	-0.322	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NN(C)C(=S)NC	909991463	AUAKVSFNGPHOPM-BMMSZFGTSA-N	217.294	-0.609	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc(O)cn1	1299922736	CVXLLIWWHSXGRF-SSDOTTSWSA-N	225.248	-0.255	50	10	BBGE	
C=C[C@@H](C)NC(=O)NNC(=O)c1cn(C)nn1	1328411650	FXDFAIQFEBNUFW-ZCFIWIBFSA-N	238.251	-0.666	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNc1cnnn1C	1351215338	JIOXJRFYDFUTII-HTQZYQBOSA-N	239.279	-0.069	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1cnn[nH]1	1627298339	KLWCDUJECNFQLN-VKHMYHEASA-N	231.162	-0.779	50	10	BBGE	
C=C(C)CCNC(=O)NNC(=O)c1ncon1	1686527794	NBPACCFUUHNPSY-UHFFFAOYSA-N	239.235	-0.020	50	10	BBGE	
O=S(=O)(CCF)N[C@@H]1COC[C@@H]1Cl	1881976177	OVLLRUGKFPDCCB-NTSWFWBYSA-N	231.676	-0.119	50	10	BBGE	
O[C@@H](CCl)CN1C[C@H](O)C[C@@H](O)C1	1882572745	SAXOPRGDTSESQO-PRJMDXOYSA-N	209.673	-0.986	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@H]1CC[C@H]1N	1887479006	OPUZGBFBHJSFAU-QYNIQEEDSA-N	203.311	-0.022	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CCCCC(=O)NN	1896271851	JDHVNMQJLSKVNZ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)C1CC(B(O)O)C1	1902005392	GZWHYYNESARVHU-AMDVSUOASA-N	227.069	-0.513	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2[C@H]3COCC[C@@H]32)C1	1902512533	MGOUUOHUHZGDGZ-DBIOUOCHSA-N	225.097	-0.182	50	10	BBGE	
CCO[C@@H]1C[C@@H](OC)CN([C@H](C)C(=O)NN)C1	1906327589	SFDJGBJTNTVLAB-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]1C1CC1	1910609882	OCEDMAAXQFLKCR-ONGXEEELSA-N	233.076	-0.426	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N(CCO)C1COC1	1915544562	CHOSPBOAVPIQHR-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
CO[C@@H](C(=O)O)C(=O)N1CC=C(C#N)CC1	1917111147	YNZJPCDGHJTGGW-MRVPVSSYSA-N	224.216	-0.232	50	10	BBGE	
NNC(=O)c1csc(CN2CC(F)C2)n1	1917251487	FDOGJLMWIRREGK-UHFFFAOYSA-N	230.268	-0.100	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1COC[C@H]1CO	1928736505	WAQJVHSXYZKITF-BWZBUEFSSA-N	221.684	-0.015	50	10	BBGE	
NNC(=O)N1CCOC[C@@H]1C(F)(F)F	1930691505	RVLBJVSGNOMHGN-SCSAIBSYSA-N	213.159	-0.167	50	10	BBGE	
CC[C@@]1(O)CCN([C@H](C)C(=O)NN)C1	1930891075	XYENOJFICIPRPK-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CN1C[C@H](N2C[C@@](C)(CCl)C2=O)C(=O)N1	1931733416	KIVVASRNSWNZSA-IMTBSYHQSA-N	231.683	-0.581	50	10	BBGE	
CC1(C)C[C@@H](O)CN1CCCC(=O)NN	1934003943	JQWKUQYHRYUJRQ-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1CCC(=O)N(CC(F)(F)C(=O)NN)C1	1935927882	GEJDAEUKQMCSJW-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COCC[C@H]1Cl	1937144374	BSTBIWXXRDSGCJ-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
CCC[C@@]1(O)CCN(CCCC(=O)NN)C1	1937984913	FPCGBZWDNVPIAV-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
CC1(C)CCC(=O)N1CCOCC(=O)NN	1938097044	WQHQWPBXOHOYKS-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
C[C@@H](N(C)CC1(C(=O)NN)CC1)C(C)(C)O	1938248963	NOFQXBIGGIPFBY-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@H](CO)C2)C(=O)NN	1939966985	IXILWBJLUUIPFQ-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCOCC(=O)NN)CCO1	1941772176	FNFXNECSBWTXDZ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC1(C)C	1944736190	KUBOFWRHGLQOEQ-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@H]1CN	1945007869	RGYSSBRLNWVKGU-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
CN(CCn1cccn1)CC1(C(=O)NN)CC1	1945881992	AACDUARYJJVPKV-UHFFFAOYSA-N	237.307	-0.415	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1CC1(C(=O)NN)CC1	1945883460	ZFSBVLUMWPEKQM-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COc1ccc(Cn2ccc(B(O)O)n2)cn1	1946546444	KUTYCTMORZSWSM-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@H](CN1CCOC[C@@H](C2CC2)C1)C(=O)NN	1947399880	RWNWZEIWQHNARZ-KOLCDFICSA-N	241.335	-0.029	50	10	BBGE	
CC(CO)(CO)C1CC(=O)OC(=O)C1	1952078689	BTPQBTPMYQCSAV-UHFFFAOYSA-N	202.206	-0.543	50	10	BBGE	
O=C(CBr)CN1CCNCC1	1953236632	IURLOHBTMGCGQO-UHFFFAOYSA-N	221.098	-0.144	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCl)C[C@@H]12	1954821266	VONHDLDKSJZIHH-OLQVQODUSA-N	202.641	-0.570	50	10	BBGE	
O=C(CCl)N1CC[C@H](OCCO)C1	1954843082	CXMQECUUGCJRCY-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@H]21	1955233740	UFDYFXZFPYGTCX-OSMVPFSASA-N	219.668	-0.168	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)O)S(=O)(=O)CCl	1955447976	ZLRCBMIEBDTVIA-RNFRBKRXSA-N	245.728	-0.424	50	10	BBGE	
O=CN1CCCN(C[C@@H](O)CCl)CC1	1955955486	FOSIRVMEJCGFFQ-VIFPVBQESA-N	220.700	-0.250	50	10	BBGE	
CCc1noc(CN(C)CC(=O)NN)n1	1958695127	MBKZNMUVUDILDQ-UHFFFAOYSA-N	213.241	-0.946	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@@H](O)C1	1960249804	WRFAGFPIUNSIAK-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CC[S@]1=O	1961395029	ZAASVDXTSTXCKB-OAHLLOKOSA-N	233.337	-0.791	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN([C@H](C)C(=O)NN)C1	1978977938	VLIDKIWLHFRWOP-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
C[S@](=O)(=NCCC(=O)NN)N1CCCCC1	1979786021	ZWRMYSKRMDFXLW-INIZCTEOSA-N	248.352	-0.135	50	10	BBGE	
NNC(=O)CCN(C[C@H]1CCOC1)C1CC1	1980760834	ZWZUMMNXLMPAGS-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COCCCSc1ncc(B(O)O)c(C)n1	1981464252	BKZRJQFPEXIVGU-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CCn2nnnc2C1	1982863740	XFGLZFLZHCSTEW-RNFRBKRXSA-N	243.698	-0.021	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1CF	1990771669	AMSMTTIJFAUJRA-SECBINFHSA-N	231.271	-0.022	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O	1991679682	LYOSXMKJOLEUKZ-WHSUVHHGSA-N	245.706	-0.186	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H]2Cl)CCC(=O)NC1=O	1991687405	KGQWFRIDFXHFHL-VGIXGZPDSA-N	244.678	-0.075	50	10	BBGE	
C[C@]1(CNC(=O)/C=C/C(=O)Cl)CNCCO1	1991705064	ZZVSLFZEJRLJOE-VMZHVLLKSA-N	246.694	-0.197	50	10	BBGE	
C[C@@H]1O[C@@]2(CNC(=O)C(=O)NN)CC[C@H]1C2	1992390723	VMQUKLGXCRWEJH-BYULHYEWSA-N	227.264	-0.950	50	10	BBGE	
O=C(NCC1CC1)Nc1ccc(B(O)O)cn1	1996645555	LDQMLLDNHYZTIQ-UHFFFAOYSA-N	235.052	-0.707	50	10	BBGE	
NNC(=O)CCCN1C(=O)CC(F)(F)CC1=O	2001017035	PPIAGVMMNADOAR-UHFFFAOYSA-N	249.217	-0.459	50	10	BBGE	
CCC[C@H](COC)N(C)[C@@H](COC)C(=O)NN	2001424121	APIJGKNGCAJZQL-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
Cn1ncc2c1CN(CCCCC(=O)NN)C2	2003027807	QCVGFBDNROIPJP-UHFFFAOYSA-N	237.307	-0.104	50	10	BBGE	
Cc1ccc([C@H]2COCCN2CC(=O)NN)o1	2004416595	HVPJSTANXCXDBF-SECBINFHSA-N	239.275	-0.049	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@H]1CCOC1	2004930159	RPWAGBFKWDTCAN-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
Cc1cnc(N2C[C@H](F)[C@H](F)C2)c(B(O)O)c1	2005017976	MSJYOKTZLOZAIT-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
CC1(C)OC[C@H](N2CCC(O)(C#N)CC2)[C@@H]1O	2020353871	BSJWTMIHOTVLNG-UWVGGRQHSA-N	240.303	-0.125	50	10	BBGE	
O=C(C[C@@H]1CCCC1(F)F)NCC#CB(O)O	2021158281	ZLFMSAMUQINCAG-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
CCC[C@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	2022545484	YRGIFAFONGECRU-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2023144949	TVKWGKHZFHOSHU-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cncnc1N1Cc2ncsc2C1	2023211170	TUJRPJWISMZQHH-UHFFFAOYSA-N	248.076	-0.867	50	10	BBGE	
CCN(CCF)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023852914	IYCOBPDUEYEWRO-XYPYZODXSA-N	245.298	-0.183	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)C1(F)CC1	2025668122	ABOYJYJTVRNLMM-UHFFFAOYSA-N	241.002	-0.054	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)CC(=O)N2	2026528097	AFENVBNJCWWHID-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
Cc1nc(N(C)C2(C)COC2)ccc1B(O)O	2026727013	QHDUDYALOUXUOT-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
O=C(CN1CC2(CCN2)C1)NNc1ccccn1	2039713337	OJCLYGCIUSGNJG-UHFFFAOYSA-N	247.302	-0.428	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C)[C@@H](C)C2)c1B(O)O	2052554339	SRGIGSYITSZLSV-BDAKNGLRSA-N	249.123	-0.053	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCN(C)CC2)n1	2052624079	PEZHSTQOELRGQA-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
COc1ccc(C#N)c(B(O)O)c1OC	2060290661	ATORFAHYKJFEGJ-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2Cc1cccc(B(O)O)c1	2067429610	IGKVUKSYKIGKQP-BETUJISGSA-N	246.119	-0.745	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1C=CCC1	2084690907	SLLXPZPZUXXSQF-LLVKDONJSA-N	245.087	-0.051	50	10	BBGE	
CN1CC2(CCN2CCCCC(=O)NN)C1	2212301182	LXHQRCNGGSJXFV-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
C[C@H]1SCC[C@@H]1Nc1ncc(B(O)O)cn1	2212613150	SLSULQJLEHDLTG-SVRRBLITSA-N	239.109	-0.538	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@H]3C2)c1	2212615802	VDRMSYPWRCTHMB-BDAKNGLRSA-N	218.065	-0.392	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213889033	ISTOQJFZWNRYFP-YIZRAAEISA-N	247.314	-0.204	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C[C@H](F)C1)C(=O)NN	2213889783	VQBVOWMMWOJVLT-IUCAKERBSA-N	247.314	-0.203	50	10	BBGE	
C[C@@H]1[C@H](N)CCN1Cc1cccc(B(O)O)c1	2214597424	WDAPQBYIVOVJHU-BXKDBHETSA-N	234.108	-0.712	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2215770142	AEHARMQCTWLUTD-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H](CCO)C1	2215778275	YHOOEJJLTNYIAG-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1ccc(OC[C@]2(F)CCOC2)cc1	2216335438	LYTBJUJMPODQCQ-NSHDSACASA-N	240.039	-0.126	50	10	BBGE	
CC[C@@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2216530799	SYLBXGICYRUTCU-GFCCVEGCSA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](CCN)Oc1cc(B(O)O)c(C)cn1	2217166485	HHJPLNMAWCUTGD-SECBINFHSA-N	238.096	-0.424	50	10	BBGE	
NCCCCCCN=c1ccc(B(O)O)c[nH]1	2217176754	ZYZVTZBQRJPEDO-UHFFFAOYSA-N	237.112	-0.886	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)Nc1ncc(B(O)O)cn1	2217177987	PVNTWTBFJRGUDK-GMSGAONNSA-N	237.068	-0.864	50	10	BBGE	
CC[C@@](C)(CNc1ncccc1B(O)O)OC	2217178490	WQBLVAILDNCNGH-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
C[C@]1(F)CCN(c2nccc(B(O)O)c2F)C1	2217181796	VFBMDTZNVFSWNQ-JTQLQIEISA-N	242.034	-0.161	50	10	BBGE	
C[C@]1(CCOc2cc(B(O)O)ccn2)CCN1	2217189302	BFQAKWDVQSFWIC-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
C#CC[C@H](C)CN(C)c1ncc(B(O)O)cn1	2217202687	YSJJJSGRVTWFCL-VIFPVBQESA-N	233.080	-0.748	50	10	BBGE	
OB(O)c1cc(F)ccc1OCCOCCF	2217425838	CRQLYPXEMDDXAS-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
Cc1nc(COc2ccc(B(O)O)cc2)nn1C	2220976868	YDMKZQPCVTUXRY-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(c1ncccc1B(O)O)C2	2222842007	HEJHSBUVBIXMTK-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
Cc1cnc(N2CCCNC[C@@H]2C)cc1B(O)O	2223643925	CCFYIBXWLLBXDF-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@@H](N)C2)cc1B(O)O	2223645206	UAQDFZRAMFUICW-ZJUUUORDSA-N	249.123	-0.248	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H](CN)C2)cc1B(O)O	2223645398	WJDLINUUGGHYTN-ZJUUUORDSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cccnc1NCCN1C[C@H]2C[C@H]2C1	2223648324	JYQKETZQDQZTSL-AOOOYVTPSA-N	247.107	-0.875	50	10	BBGE	
N[C@H]1CN(c2cc(B(O)O)ccn2)C2(CCC2)C1	2223670373	WXUJTZLQUWBTJM-SNVBAGLBSA-N	247.107	-0.779	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(c1ccc(B(O)O)cn1)C2	2223672572	BIMJTXQKFVHRRX-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
CCc1conc1CNc1ncc(B(O)O)cn1	2223674069	NGWNEOUJCNAJOU-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
O=c1ncc(B(O)O)cn1Cc1ccc(F)cc1	2224027693	AHZYVCJLHDRVJG-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1CO[C@H]2CNC[C@H]2O1	2241261498	VNWURADURUZQTR-HSNKUXOKSA-N	219.668	-0.061	50	10	BBGE	
NC1CCN(C(=O)C2(B(O)O)CCC2)CC1	2243358548	HXHFNGJZXWCYTR-UHFFFAOYSA-N	226.085	-0.667	50	10	BBGE	
O=C(NCCC1CC1)c1ccc(B(O)O)o1	2243362847	XJCCDXJCXCIVEW-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)c(B(O)O)s1	2243367087	NNSAQHNOJASJCF-SSDOTTSWSA-N	237.089	-0.512	50	10	BBGE	
CC(C)CONC(=O)c1sccc1B(O)O	2243374813	KLSBPCFKPRJNHT-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)sn1	2243377625	DDPILIIAOGCDCN-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
CC[S@@](=O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396901	SIZLADRWYWJKNW-MDZKRCCYSA-N	247.125	-0.876	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)[C@@H]1C[C@@H]1B(O)O	2243403763	CDQXWFMWEMUOMM-YIZRAAEISA-N	225.053	-0.689	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ncccc1B(O)O	2243407686	XMDYWMPOZSPPND-SSDOTTSWSA-N	222.053	-0.710	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CC1)[S@](C)=O	2243411377	SDXVZVMAHNTECT-GYKQLYQFSA-N	247.125	-0.733	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426203	FUBSLPUELDGAKF-JBDRJPRFSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2244310245	FJPDRRQVRYCPCO-WYOJIJJFSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCNC2)ncc1Cl	2245912896	IZVOPBZXFURBRE-ZCFIWIBFSA-N	241.487	-0.811	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247733089	MCUUGLNPAGOQRO-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
CCC1(F)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247740220	HWLDQXGDNSIOBV-UHFFFAOYSA-N	240.043	-0.731	50	10	BBGE	
COc1c(F)cccc1NC(=O)C#CB(O)O	2247743368	CJKPVPVQDQJHPC-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)C1(B(O)O)CC1	2247750380	IQIFNTMJAXPJAH-BRPSZJMVSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1B(O)O	2247752723	UWUBLSCPQNUQKY-QUBYGPBYSA-N	237.039	-0.356	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2247754008	KXYDGBQRGKXNIV-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CCO)C1(B(O)O)CC1	2247754617	GRNLSZLSVHWFQB-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
Cc1ccc(C(=O)N2CCOC2)c(B(O)O)c1	2247761738	WVUMDQAIJRVWKH-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
Cc1cnc(C(=O)NCC(F)F)c(B(O)O)c1	2247785582	NGEWZSZGNZEAHU-UHFFFAOYSA-N	244.006	-0.935	50	10	BBGE	
NCCCCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787025	JZSDDZVERTYDCG-AOOOYVTPSA-N	242.128	-0.125	50	10	BBGE	
N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247788033	YGIZALCYMWGDQB-KXUCPTDWSA-N	240.112	-0.421	50	10	BBGE	
CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797368	ITEMGMJJWQGGJM-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247798472	UMMRFWYTWDAZOG-WOOKNIGNSA-N	240.112	-0.517	50	10	BBGE	
CCCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1COC1	2247807664	RMCFDTARMNGHGL-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
CCCN(C(=O)C1(B(O)O)CC1)[C@H]1CCNC1	2247856197	FSPWKJICNMIDMQ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
COCCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247860535	XUXKXADIBJLUKF-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)c1cccnn1	2247887965	UGYRMGMNFKOWQV-JGVFFNPUSA-N	235.052	-0.308	50	10	BBGE	
Cc1c(NC(=O)C2CC(B(O)O)C2)nnn1C	2247892153	VEQHXZGFWKBATC-UHFFFAOYSA-N	238.056	-0.685	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@@H](B(O)O)C2)nnn1C	2247895734	VEQHXZGFWKBATC-KNVOCYPGSA-N	238.056	-0.685	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)[C@@H]1C[C@@H]1B(O)O	2247899586	OLCVNHJFHYWBJQ-QKCLAQEOSA-N	245.059	-0.926	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1Cc2nc[nH]c2C1	2247902733	GSGYFFQGGVEFTO-UHFFFAOYSA-N	235.052	-0.495	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1B(O)O	2248575605	BZHIAKNOUHCCLI-VGRMVHKJSA-N	241.052	-0.781	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(C(=O)O)CCC1	2248585237	IIALTTQECCWZQX-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
CCCC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248585740	PWUHPVJXYKOYJB-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248589743	UIURFAUSPDJIQG-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)[C@]12COC[C@H]1C2	2249382274	JPMARZVHZVHWGB-LDYMZIIASA-N	239.080	-0.512	50	10	BBGE	
O=C(CC1CCOCC1)NCCC#CB(O)O	2250003713	BCOUGMDRFFDQGF-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2251034584	YEWUXASDFURURV-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1coc(B(O)O)c1	2255445592	WRPGKIKCDRKSSM-NRPADANISA-N	249.075	-0.265	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C1CCC1	2255448977	JCUREYWFIPZAOW-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1c(C)cccc1B(O)O	2255509955	QSJCTAHKPLKEIY-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
Cc1ccc(C(=O)NC2(C)COC2)c(B(O)O)c1	2255510472	XAUOWAAGDRYWLB-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ncccc2B(O)O)C1	2255520802	OSAHESZQZZXKGM-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
C#CCCCCCNC(=O)c1c[nH]nc1B(O)O	2255568877	QQGSBCCMCDMSJO-UHFFFAOYSA-N	249.079	-0.987	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1[C@H]2CC[C@H]12	2255691456	DYIVXOPZDQHYHL-IUCAKERBSA-N	248.091	-0.674	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255711179	VTFORUUFDRORGA-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1cncc(B(O)O)c1	2255715406	FHQDMGHLJZMTKD-WDEREUQCSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC[C@@H]2C[C@H]21	2255735129	NUGOPYFZGROMAS-GMSGAONNSA-N	249.050	-0.260	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1cncc(B(O)O)c1	2255736487	OHGDQEIMTLIHMY-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2ccnc2)C1)[C@H]1C[C@H]1B(O)O	2255769757	MMMNGZPCZRODIK-AATLWQCWSA-N	249.079	-0.434	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2256016567	KKJKKMSPKQKRML-GMSGAONNSA-N	249.075	-0.400	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1cocc1B(O)O)C2	2258125461	QKRUMBKUEFTFRJ-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N[C@H]1C=CCC1	2258666658	CFIBJZAWVQNCCT-QMMMGPOBSA-N	247.063	-0.399	50	10	BBGE	
Cc1cccc(C(=O)NCCC#CB(O)O)c1O	2258963284	RDJDCWXOLGEBJH-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CC(NCCCC(=O)O)=C(C#N)C(N)=O	2297314453	UJBCLKWSOJJQRW-UHFFFAOYSA-N	211.221	-0.276	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2298463362	ZOXRUYSQNIHLST-OZRXBMAMSA-N	241.052	-0.925	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@H](C(=O)NN)O2)C1	2299036261	WQTYMIMUHQBKMD-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
C#C[C@@H]1N(c2ccc(B(O)O)cn2)CC1(C)C	2299563324	HYKLJHITGXHRHG-JTQLQIEISA-N	230.076	-0.391	50	10	BBGE	
CC(C)(COc1ncncc1B(O)O)C(F)F	2299926581	LWCMEFADLYIRPO-UHFFFAOYSA-N	246.022	-0.174	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C(=O)COC1=O	2300375668	WMHSPAYRONLEAQ-BQBZGAKWSA-N	241.247	-0.629	50	10	BBGE	
NNC(=O)CCCCCCN1C[C@H](O)[C@@H](F)C1	2300624568	CSMARUPEUVNRNR-UWVGGRQHSA-N	247.314	-0.059	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2301837867	UACGUJMWTQBRTJ-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	2302023750	QHOMACTUMBDKGS-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)C[C@H]1C(C)C	2304254602	YVQMCCSTLOHFHD-ZJUUUORDSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSc2ncn[nH]2)O1	82471861	GPOKLKKBFWLCII-PHDIDXHHSA-N	243.292	-0.566	50	10	BBGE	
Cc1nnc(S[C@H](C)CC(=O)NN)n1C	82472791	KYKZRCAHPZHDIZ-RXMQYKEDSA-N	229.309	-0.016	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	86598239	WLVIBUWLHLXFNH-OLQVQODUSA-N	225.248	-0.993	50	10	BBGE	
CCOC(=O)CC(=O)NNC(=O)CC	141233173	WJHMOFQXZFKTSE-UHFFFAOYSA-N	202.210	-0.503	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)CCC(=O)NN	161681525	MAJJCAXTXVFYRK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)Cn1ccnn1	175068055	WHVRRNHAZREVHI-UHFFFAOYSA-N	248.246	-0.922	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@@H]1CO	211832692	QEQRKHJPTWEUBO-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
NC(=S)NNC(=O)c1c(O)cccc1O	232442496	YEOOLEWYLXAJCT-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
C[C@H](CN1CCC([C@@H](C)O)CC1)C(=O)NN	235244519	LLHHPVDOJNVZPP-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](O)[C@@H](N)COCCOCCCl	238412707	OSJDTJMBRKNWBK-SFYZADRCSA-N	211.689	-0.034	50	10	BBGE	
C=CC(=O)NCCOS(=O)(=O)S	238724593	QICHIZWPJKVUSU-UHFFFAOYSA-N	211.264	-0.520	50	10	BBGE	
CS(=O)(=O)C1=NC=C(C#N)S1(=O)=O	260191617	VENGQDDKPLLZPU-UHFFFAOYSA-N	220.231	-0.820	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)CCCO1	300828363	DZKSPOTZXVJIIR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
O=C1[C@@H](Cl)[C@](O)(C(=O)O)C[C@H]1Cl	306477228	KIBWSQKTCBZDRW-WSPNPXCPSA-N	213.016	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)N[C@H](C)C1	307041900	LFVCFPOTLSJWAW-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
NNc1cc(CCl)cc(B(O)O)c1	307434269	OXWMJUHVPLGSIM-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
COC(=O)[C@@H]1CCC[C@@H]1c1cc(B(O)O)on1	310381904	CLPYWXCRUAELSB-NKWVEPMBSA-N	239.036	-0.589	50	10	BBGE	
Nc1cc(F)c(OC(F)(F)F)c(B(O)O)c1	321689068	OBCDSDYTFIPXES-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[S@@](=O)CC1	321851301	HEBXQDXOUXYVAQ-ANRSDYALSA-N	233.337	-0.791	50	10	BBGE	
CC[C@H](CO)N(C)CC(C)(C)C(=O)NN	379008491	JCKULNZOVOOKOG-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C)[C@@](C)(CN)C1	380820862	MDMCQSZFXCSVHU-NGZCFLSTSA-N	228.340	-0.328	50	10	BBGE	
CO[C@@H](C)CN(C)[C@H](C)CC(=O)NN	389344740	ZKZRAOFXSPMSQO-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
Cc1cc(B(O)O)cc([C@H]2CCCNC2)n1	390117194	CXDGFABMLKWSSH-VIFPVBQESA-N	220.081	-0.463	50	10	BBGE	
COc1ccc(CN2CCC2)cc1B(O)O	390514815	CICZGBVWUOPVTE-UHFFFAOYSA-N	221.065	-0.419	50	10	BBGE	
CC(C)[S@@](=O)Nc1ncc(B(O)O)s1	405086774	UBCNIZPJYLICKG-CQSZACIVSA-N	234.111	-0.693	50	10	BBGE	
COC[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1	584992323	KSKVADKPFFXKTP-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
CC(C)OC(=O)[C@@H](C)[S@@](=O)CC(=O)NN	586370500	NUIVXCPGAVEWBU-BAHMLBHCSA-N	236.293	-0.935	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C)[C@@H](CO)C1	687596478	BSNYMDNZWYULJJ-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(=O)N[C@@H](C)C1	695087310	MTWGLDHMCQZXOJ-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H]1C	706738733	NUFWXPGRAJWCCV-BIIVOSGPSA-N	201.270	-0.669	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708050415	HPPPLMSPBWIGOD-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CN(C(=O)c1cnn[nH]1)[C@@H]1COC[C@H]1Cl	709427702	APBALUXIFDWYOK-IYSWYEEDSA-N	230.655	-0.117	50	10	BBGE	
O=C(CC(F)(F)C(F)(F)F)NCB(O)O	713259081	IJOZBDHCUSHSGD-UHFFFAOYSA-N	234.917	-0.298	50	10	BBGE	
C[C@H](CCl)C(=O)N(C)CCS(N)(=O)=O	719722361	KHNCRZUTSGOYTE-ZCFIWIBFSA-N	242.728	-0.392	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1cn2cccnc2n1	785462681	KHBFOBCMXGISJM-UHFFFAOYSA-N	247.258	-0.050	50	10	BBGE	
CC[C@@H]1COCC1=NNC(=O)[C@H]1COCCO1	853315447	RTOGOQYYARZQIX-PSASIEDQSA-N	242.275	-0.070	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)[C@H]1CCCO1	854638146	ZBKCZEABRJFOEV-SECBINFHSA-N	224.260	-0.028	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)[C@@H]1CCCO1	857170696	RVONFEKYANWRID-YUMQZZPRSA-N	230.264	-0.669	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862892957	FEYKUANOUZMMID-SOCHQFKDSA-N	242.275	-0.362	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H](C)O[C@H]1C	864992300	GPICGPOLWBWEFT-LYFYHCNISA-N	215.253	-0.240	50	10	BBGE	
O=C(COC1CC1)NNC(=O)c1cnsn1	894283188	HIKQNUDOWSXYRF-UHFFFAOYSA-N	242.260	-0.522	50	10	BBGE	
COc1ccccc1[C@@H](O)C(=O)NNC(C)=O	899927681	QIPKBHJBAIIPJE-SNVBAGLBSA-N	238.243	-0.104	50	10	BBGE	
CC1(NS(=O)(=O)CCCl)COC1	1253550238	CKTJMPSLDTVPJW-UHFFFAOYSA-N	213.686	-0.067	50	10	BBGE	
N#Cc1ccc(C(=O)NNc2nc[nH]n2)[nH]1	1306853130	LNIMFZSOQBOAIH-UHFFFAOYSA-N	217.192	-0.239	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@](C)(O)COC	1444745916	ZIWGMKTWTAURBF-LAHYYIKRSA-N	242.275	-0.056	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNC(=O)c1ccnnc1	1557069291	HYJYKQCQNXBRSN-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)NC1CC1	1625703241	UWJDQVHNEMVKBC-MRVPVSSYSA-N	226.280	-0.427	50	10	BBGE	
OC[C@@H](O)CNC1CC(Br)C1	1880297513	PUPRJUAIIZKPTL-AHXFUIDQSA-N	224.098	-0.145	50	10	BBGE	
NC(=O)CNC(=O)[C@H]1C[C@@H]1Br	1880433217	CXLOMTTZITWUGR-IMJSIDKUSA-N	221.054	-0.629	50	10	BBGE	
O=C(N[C@H]1CNOC1)[C@H]1C[C@@H]1Br	1881353114	AJHGACSZVJDYTH-ZLUOBGJFSA-N	235.081	-0.211	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2Br)C(=O)CN1	1883527565	GTDXWTOUYLBKNH-RITPCOANSA-N	247.092	-0.272	50	10	BBGE	
C[C@@H](N)CS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883564063	PWBDFASKOOESQW-FSDSQADBSA-N	226.729	-0.120	50	10	BBGE	
CC[C@@](C)(CN(C)CC(=O)NN)OC	1886728322	NOCPMPPMHJUKJB-VIFPVBQESA-N	203.286	-0.277	50	10	BBGE	
CN(N1C[C@](C)(CCl)C1=O)S(C)(=O)=O	1888561516	DXWAXZJVGYWMTN-ZETCQYMHSA-N	240.712	-0.120	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1CF	1888819530	VHSWEDCDQFUPSU-CSMHCCOUSA-N	203.261	-0.098	50	10	BBGE	
CC[C@@H](OC)C(=O)NCC=CB(O)O	1892920492	SBNKFOOJQAUWOB-SSDOTTSWSA-N	201.031	-0.904	50	10	BBGE	
C[C@@H](O[C@H]1COCC1(F)F)C(=O)NN	1893364356	NDQQVQDZTOGXOJ-UHNVWZDZSA-N	210.180	-0.585	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(N)=O	1893447281	WZHCWSMEGFKFRX-JKUQZMGJSA-N	220.656	-0.770	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@@H](O)C[C@@H](O)C1	1893474433	IWKOIEPXUCLWQH-FKSUSPILSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475375	SPYPTWIYZWTHMQ-SLPGGIOYSA-N	221.640	-0.436	50	10	BBGE	
COc1cc([C@@H](N)[C@@H](O)C#N)cc(O)c1O	1894487299	XWQHDYPBCDFLOX-IONNQARKSA-N	224.216	-0.009	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1OC	1895543471	PBISVKAHIZEADX-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CO[C@@H]1C[C@H]1N=c1[nH]c(CCCl)nc(=N)[nH]1	1896319752	GRPIDFBUNYYHNW-PHDIDXHHSA-N	243.698	-0.313	50	10	BBGE	
C[C@@H]1C[C@@]1(F)Cn1cc(B(O)O)ccc1=O	1898066219	FSIDJXPCHWCJDJ-GMSGAONNSA-N	225.028	-0.724	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@H](F)C1	1900258248	JKYAZLROBUAKRZ-XHNCKOQMSA-N	233.287	-0.329	50	10	BBGE	
C[C@H]1CCNC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901374175	BSWUMAKCFNBDIW-JGVFFNPUSA-N	249.336	-0.845	50	10	BBGE	
CC(C)=C(CN1CC[C@H]1CN(C)C)B(O)O	1901623446	YTVUQNSKGRBTKZ-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
OB(O)[C@H]1CCN(CC2(O)CCOCC2)C1	1902549788	FIGJRUXGRBKTIS-VIFPVBQESA-N	229.085	-0.923	50	10	BBGE	
NNC(=O)Cn1cc2c(cc1=O)CCCC2	1902580532	CGQHFSGXCMITNY-UHFFFAOYSA-N	221.260	-0.283	50	10	BBGE	
CC#C[C@@H](C)Oc1cc(B(O)O)c(F)cn1	1903021358	SHLSPVRFQADPSL-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
C#CCN1CC[C@@H](NS(=O)(=O)CCl)C1	1903237432	RYZHCMUZZBHTEK-MRVPVSSYSA-N	236.724	-0.190	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C(=O)C[C@@H](C)O1	1905545153	IOUOBAGGRQYNBL-HLTSFMKQSA-N	243.307	-0.219	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1CN(C(N)=O)C1	1917785449	QUUONARFNXRUBP-YFKPBYRVSA-N	219.672	-0.260	50	10	BBGE	
NNC(=O)CN1CC[C@@]2(CCC[C@@H]2O)C1	1918418103	AHWXUDVCEVYYHX-WPRPVWTQSA-N	213.281	-0.787	50	10	BBGE	
CC(C)C(=O)NNC(=O)C=CC(=O)O	1927740056	XLYVXTQMCIKEQP-UHFFFAOYSA-N	200.194	-0.569	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NN)C1	1928135100	RHBYLMIJSUIWCZ-NKWVEPMBSA-N	235.309	-0.485	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2CC[C@@H]1O2	1929838090	IZSPGNMJBUPVBO-PRJMDXOYSA-N	200.238	-0.833	50	10	BBGE	
Cc1nc(=N[C@@H]2CN(C)C[C@H]2Cl)n(C)[nH]1	1930291117	IBVHTTADPAQYCU-HTQZYQBOSA-N	229.715	-0.121	50	10	BBGE	
C[C@@H]1CCS[C@H]1C(=O)NNCCO	1930900149	OHQCUWPZENGHHZ-RNFRBKRXSA-N	204.295	-0.259	50	10	BBGE	
CCN(CCCO)CC1(C(=O)NN)CC1	1931264596	CAASVMJWJKQJJJ-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C(C)C)C1	1931483461	QPDYCKHEFQSDBG-SECBINFHSA-N	215.297	-0.421	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN1CC(=O)OC(=O)C1	1932191889	ZLSDRVWZMDCPGD-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@H]1C2	1936082727	GNWHYWKGYUNIQS-UYXSQOIJSA-N	223.276	-0.377	50	10	BBGE	
CC1(OCCOCC(=O)NN)CCOCC1	1937022851	LTASWRDOXYZOBB-UHFFFAOYSA-N	232.280	-0.421	50	10	BBGE	
O=C(Cn1cnnn1)N1CCOC[C@@H]1CCl	1937159236	FTVYLGPMUWTLTA-ZETCQYMHSA-N	245.670	-0.861	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)CCCCC1=O	1941085539	DPYWCPMIXIHNLV-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
CCN1CCN(CCOCC(=O)NN)C[C@H]1C	1941784750	UWIWHZYGUIQXOM-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CCO[C@H]1CCCN(CCOCC(=O)NN)C1	1941784950	XYDVEFWRQBGBAN-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CC(F)C1	1944017333	ZTDBUKPZYKHBTB-UHFFFAOYSA-N	238.027	-0.552	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)[C@@H]2C[C@@H]21	1953944567	RZUYPVQPVLEAON-NKWVEPMBSA-N	224.713	-0.099	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)NN(C)C	1956060029	UHVLUGSCFMUFOB-OCAPTIKFSA-N	200.286	-0.145	50	10	BBGE	
OCCN1CCN(C[C@@H](O)CCl)CC1	1956260785	QUSBHFOFFMXVAA-VIFPVBQESA-N	222.716	-0.804	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1CC(=O)NN	1956957151	JVASNGGKGJJWBC-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)C(=O)NC1(C2CC2)CCCC1	1958877982	AMEJPHAJOVWXOD-UHFFFAOYSA-N	211.265	-0.185	50	10	BBGE	
COC(=O)[C@]1(C[C@H](O)CCl)CNCCO1	1960143480	MYUKDEUXMQJGMB-CBAPKCEASA-N	237.683	-0.492	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnsn1	1960522277	VXKXKKZHFAXLJS-ZETCQYMHSA-N	229.309	-0.262	50	10	BBGE	
NNC(=O)CCN1C(=O)C[C@H]2CC[C@H]1C2	1961034344	SHEPZDKCLGGHMK-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ncccc1B(O)O	1961777514	IZIJPNYPRPFNTK-IONNQARKSA-N	206.054	-0.394	50	10	BBGE	
Cn1cc(C(=O)N2CCC(B(O)O)CC2)cn1	1964501121	RIBCRZVOERBQAT-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
NNC(=O)C(F)(F)CN1Cc2conc2C1	1976756678	XDKLFOXHTYOEDH-UHFFFAOYSA-N	232.190	-0.385	50	10	BBGE	
CN(CC(F)(F)F)c1ncc(B(O)O)cn1	1981409795	RRLRTKKXLPHPPR-UHFFFAOYSA-N	234.974	-0.845	50	10	BBGE	
CSCCN(C)c1nccc(C)c1B(O)O	1981414673	VCDYPAPGOLYZPC-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
CSCCCN(C)c1ncccc1B(O)O	1981423588	GLHXAOJYUDYDLM-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCC(O)CC2)C1	1985164210	PCNGSBASYRYZNW-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)o1	1985740046	GCQOIRPKCXEIIJ-POYBYMJQSA-N	225.248	-0.552	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2CCOC[C@H]2C1	1986817455	YGAOHLUXAKBZPO-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
C=CC1(O)CCN(C[C@@H](C)C(=O)NN)CC1	1990546531	ZBMINDQMYJNXES-SECBINFHSA-N	227.308	-0.375	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@H]1C1CC1	1990725489	LELMGKLEZVNPBQ-QNSHHTMESA-N	227.308	-0.136	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@H](C2)C1	1990776178	HATRHWOFAUWENL-AOOOYVTPSA-N	225.292	-0.114	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)[C@@H](CO)C1	1991706502	QFINCFKDARVGCU-FLPBZWPXSA-N	247.678	-0.490	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CCC1)C(=O)C(=O)NN	1992947466	NGVFJHXTYKCCLU-RKDXNWHRSA-N	225.292	-0.129	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1CC[C@@H]1O	1994679227	JFMXAFRFGHNLPW-KDXUFGMBSA-N	225.244	-0.326	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC12CC(CO)C2	1997986329	HUYJXMGQDCYMMM-XTQFYOIMSA-N	241.335	-0.152	50	10	BBGE	
CCCNC(=O)C1CN([C@@H](CC)C(=O)NN)C1	2002654938	ZAXXDAWUNFCGOQ-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1N(c2ncc(B(O)O)cn2)CCC1(C)C	2004916601	NIEKYPSQSCOYAP-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CC1(C)[C@@H]2CN(c3ccncc3B(O)O)C[C@H]21	2004925038	KVJCAGVDTRIEEM-RKDXNWHRSA-N	232.092	-0.146	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@H]1C[C@H]1F	2006988383	LSWMCPGHWPOJHF-DTWKUNHWSA-N	237.039	-0.029	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@H](O)C(C)(C)[C@H]21)C(=O)NN	2008731487	WRDPSLIDVWRBGV-KATARQTJSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](CN1CCC[C@H]2[C@@H]1CCN2C)C(=O)NN	2012128916	ZUQMELHRRLVBDB-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CC(=O)N2CCC[C@@H]12	2014834993	VJASTAPQZWQGGH-HRDYMLBCSA-N	240.307	-0.940	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C(C)=O	2017294551	FDCBFCJWOWDBNO-KXUCPTDWSA-N	240.307	-0.940	50	10	BBGE	
CCN1CC(CN(C)CC(=O)NNC(C)=O)C1	2019210672	NZFAFSGPDCZCLV-UHFFFAOYSA-N	242.323	-0.963	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@H](F)C3)(C1)C2	2023851867	CIDUUYPJQDUFSW-PUSIOWJLSA-N	243.282	-0.431	50	10	BBGE	
COCCC1CN(Cc2ccc(B(O)O)cc2)C1	2034796616	DIRRGPIJQBIHKI-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CC3(CC3)CO2)c1	2047626667	CHLQPLFFUOPRBI-NSHDSACASA-N	249.075	-0.291	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H]3C[C@H]3C2)n1	2050241293	HFDYCFZOCYTQFF-BDAKNGLRSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnccc1N1CCOC[C@@H]1C1CC1	2052506846	JZXQOYYRQWEHAJ-GFCCVEGCSA-N	248.091	-0.623	50	10	BBGE	
COc1ccc(B(O)O)c(C=O)c1OC(F)F	2060328843	GKGJBUKDYQKFST-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
COc1cc(B(O)O)ccc1OC(F)F	2070879828	IFFJUSDMFFMSSN-UHFFFAOYSA-N	217.964	-0.024	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@]23CCOC3)c1	2077711319	UQEDWIWHQUJDJZ-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
N#C[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079011078	YLKQUOYDFJITGR-SECBINFHSA-N	244.059	-0.648	50	10	BBGE	
Cn1cn[nH]c1=N[C@H]1COC[C@H]1Cl	2209296235	QDCYRYQCGVXYJT-RITPCOANSA-N	202.645	-0.345	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H](F)[C@H]1CCOC1	2212188041	WDZLIKAMPIBKFY-DTWKUNHWSA-N	233.287	-0.327	50	10	BBGE	
CCC=C1CN(c2ncccc2B(O)O)C1	2212606051	NPVNHRMOFZMUQD-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](CF)C2)c1	2212610260	FWIAICGXXKOFIF-QMMMGPOBSA-N	224.044	-0.443	50	10	BBGE	
CCCC1CN(c2cc(B(O)O)ccn2)C1	2212612756	OGDYAGJKBRJWOU-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213022793	ADDGJNJHJHGSPS-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cc([N+](=O)[O-])cn1	2215773472	SQYAZACHAGAPNS-XPUUQOCRSA-N	239.235	-0.193	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)c1ccnn1C	2215777196	RBVMEIAYQYAJST-IUCAKERBSA-N	237.307	-0.128	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215777322	RZHDJFCEFKYKHK-LNFKQOIKSA-N	241.335	-0.295	50	10	BBGE	
C#CC[C@H](Nc1cc(B(O)O)ccn1)C1CC1	2217176014	QJCOEUFAHJLHHH-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC[C@H](O)C1	2217177936	PGWXQTSWAJEHDX-IUCAKERBSA-N	236.080	-0.666	50	10	BBGE	
CO[C@H](C)CCN=c1cc(B(O)O)c(C)c[nH]1	2217180548	UQKUPCNMOPYTPH-SECBINFHSA-N	238.096	-0.671	50	10	BBGE	
Cc1cnc(NCC2CC(O)C2)cc1B(O)O	2217184082	QLWQIHITLMVJON-UHFFFAOYSA-N	236.080	-0.747	50	10	BBGE	
CC(C)[C@@H](CO)CNc1cc(B(O)O)ccn1	2217198250	YRSBJKOKTJZKLX-SECBINFHSA-N	238.096	-0.562	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCCO1	2217203730	ZOSLLGHPZXRYSH-VIFPVBQESA-N	236.080	-0.258	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1Cc1cccc(B(O)O)c1	2220065732	QTAVQTJXGRAHOU-GHMZBOCLSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1cccnc1NCCCCC1CNC1	2223635110	SMXRLCOPVHXRJJ-UHFFFAOYSA-N	249.123	-0.437	50	10	BBGE	
CN1CCC[C@H](CNc2cc(B(O)O)ccn2)C1	2223637975	TVDCCJUGBLHLSX-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@H](N)C2)cc1B(O)O	2223651020	UKUMPTGRUDHDKO-ZJUUUORDSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1ccnc(NCc2ccncc2F)c1	2223669840	PCTMUIREVBYCPZ-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
O=C(NCC=C(F)F)[C@H]1C[C@@H]1B(O)O	2241588278	YZNSPHWOBJWOQV-WHFBIAKZSA-N	204.969	-0.254	50	10	BBGE	
C[C@H](Oc1nc(B(O)O)cs1)C(F)F	2241797924	LTGLHQJMDFEMIX-VKHMYHEASA-N	223.009	-0.145	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](C1)[C@H]2O	2241829601	DASSBRCTCWVXFN-KVSKUHBBSA-N	225.697	-0.175	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@H]1CC[C@@H]1O	2242418818	IISGVOHUEDSDCY-WHFBIAKZSA-N	226.248	-0.132	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H]2C[C@H]2F)s1	2243376205	GKCYLUMLIMDAHP-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
C[S@](=O)CCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243381139	CLOAFNLRLCXATL-UFIJUMAVSA-N	247.125	-0.876	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)sc1C	2243385435	IXMCZYIGQBCSDS-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=CCC1	2243409738	NUKYDUWPXTWHBO-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243414474	BNBYHCPSKGIYLN-FXQIFTODSA-N	229.085	-0.628	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243790287	NWLONWMAGIXBKW-GHCJXIJMSA-N	227.069	-0.610	50	10	BBGE	
C=CCCCOc1nc(C)ncc1B(O)O	2243957488	XZWOGPGODDEVAB-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1cc(B(O)O)co1	2244210410	FGCSRFFWHVJDNX-SSDOTTSWSA-N	241.077	-0.805	50	10	BBGE	
C#CC1(NC(=O)c2ccsc2B(O)O)CC1	2244537955	OADPOKSGGPECDN-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
Cc1ccccc1CN(C)C(=O)C#CB(O)O	2247741282	XFMKVBBPEHWLBW-UHFFFAOYSA-N	231.060	-0.031	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccc(B(O)O)c(F)c1	2247751721	BFTCYSADIRZYBJ-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1C(=O)C1(B(O)O)CC1	2247756548	MXDHUUVHZCWNML-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247787224	MGGGXSCKULMYFL-RXKWGBCNSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H]2[C@@H]1CO	2247787802	VBJHVBNWDPIFAN-OEZYJKACSA-N	239.080	-0.921	50	10	BBGE	
CC12COC(CNC(=O)[C@H]3C[C@@H]3B(O)O)(C1)C2	2247796529	ANISCJBFJNLLKA-GHQHZXSUSA-N	239.080	-0.465	50	10	BBGE	
C[C@H](CCCCO)NC(=O)C1CC(B(O)O)C1	2247796677	BVJRPOPRXXUPII-XNWIYYODSA-N	243.112	-0.093	50	10	BBGE	
CCC(CC)N(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2247797327	INOIALRCRTWMLW-UWVGGRQHSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247799496	DRIDIZKOIHUZRG-SEZDTBSWSA-N	241.096	-0.267	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]2CC[C@@H]21	2247799931	JNVVIMQZJXVYOS-XFWSIPNHSA-N	238.096	-0.846	50	10	BBGE	
CO[C@@H](CN(C)C(=O)C1(B(O)O)CC1)C1CC1	2247854262	ZRODGDCMCXZBFM-VIFPVBQESA-N	241.096	-0.123	50	10	BBGE	
COCC(C)(C)NC(=O)c1ccoc1B(O)O	2247866843	TYBGMXUMBAAPKP-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
O=C(Nc1ccccn1)c1coc(B(O)O)c1	2247871813	HZQQOVLCQPDVRU-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
N[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C12CCC2	2247872732	XVORESOUNPRTJB-HTQZYQBOSA-N	238.096	-0.621	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2247873728	FQSZCTNZZBWKCR-VIFPVBQESA-N	240.112	-0.419	50	10	BBGE	
O=C(NC1(CCO)CCC1)[C@H]1C[C@@H](B(O)O)C1	2247893693	WLTPWKREHYQCFI-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](CO)C2(CC2)C1	2247898486	DYXWECAFIYODNX-HLTSFMKQSA-N	239.080	-0.920	50	10	BBGE	
NCC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247900583	YCETUPUBXAIJCN-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@]1(CF)CCNC1)C1CC(B(O)O)C1	2247901850	ATGBRWVQRAWKIY-SFVIPPHHSA-N	244.075	-0.943	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H](CN)C1CC1	2247911706	XILWAGFICNNZLS-RTBKNWGFSA-N	240.112	-0.565	50	10	BBGE	
COc1cc(N)c(C(=O)NNC(C)=O)cc1O	2248216961	XIQWPNHWGYUMKE-UHFFFAOYSA-N	239.231	-0.236	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)co1	2249419235	FAGXEDHRTMCRAL-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1cocc1B(O)O	2249424498	TYTPVEWSNUNPPU-XVKPBYJWSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C[C@@H]2C1	2249441487	YVXJAUUARBRNHY-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2250597984	BLLYFWYSAHJKSV-UJNFCWOMSA-N	241.096	-0.389	50	10	BBGE	
C=C[C@H](C)CCN(C)c1ncc(B(O)O)cn1	2251040208	IVPLPTYWHWZUEG-VIFPVBQESA-N	235.096	-0.195	50	10	BBGE	
C[C@@]1(COc2ccc(B(O)O)cn2)C=CCCN1	2253426870	GOCWXVWBOQTSMZ-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N(C)CCC#N	2255497944	KBNWYMLVKHQOBX-UHFFFAOYSA-N	249.079	-0.827	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NCCCC#N	2255498783	WFTMIBGZIUBZFC-UHFFFAOYSA-N	249.079	-0.779	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ncc(C)cc1B(O)O	2255555951	IWSJUVZMPKUYIO-SECBINFHSA-N	246.075	-0.624	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1cncc(B(O)O)c1	2255715405	FHQDMGHLJZMTKD-QWRGUYRKSA-N	246.075	-0.710	50	10	BBGE	
C#CC#CCNC(=O)Nc1cccc(B(O)O)c1	2255894324	ZZVYXYMAICJDGK-UHFFFAOYSA-N	242.043	-0.876	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@H]2C1	2258138789	OMLWHEBZSAUGTD-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC[C@H](F)[C@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2298369506	WSPBGUMALKYYHK-MAUMQABQSA-N	245.059	-0.660	50	10	BBGE	
O=C(NCC[C@H]1CCCCN1)[C@@H]1C[C@H]1B(O)O	2298369924	JAPRKJVQLJFZJE-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371149	BBAJJYOCYYBAAL-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2298371829	WZKNSJXQZBXHRU-YSSBGUOXSA-N	238.096	-0.892	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377048	BTMFFGCUFBMJQI-DOLQZWNJSA-N	240.112	-0.648	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2=O)O1	2301875948	HUROVVBQTGNRQN-RNJXMRFFSA-N	245.254	-0.906	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C)CCCC(=O)NN	2302062050	YMCXYNIWZCLIDK-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](CO)C[C@@H](C2)C1	2303491022	WARPHTKVUZBETA-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cc(NCc2ncco2)ncc1F	2303847092	CLCZMEPVDJYRNP-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3CC[C@H]2O3)cc1B(O)O	2312612455	YQOSOJBOCHOABI-INTQDDNPSA-N	248.091	-0.198	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@H](C)S1	70559594	NHLKIWDJFKCPKB-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@@H](C)C(=O)NN	82469887	UMNHILPNQPMNNB-MRVPVSSYSA-N	230.312	-0.944	50	10	BBGE	
COC(=O)CCS[C@H](C)C(=O)NN	82472424	LZJCTCZUPMOSMD-RXMQYKEDSA-N	206.267	-0.339	50	10	BBGE	
CN1CCN(C(=O)CBr)CC1=O	82774610	RZHFUYWBABNNMO-UHFFFAOYSA-N	235.081	-0.318	50	10	BBGE	
CCN(CC(C)(C)O)[C@H](C)CC(=O)NN	86275183	YPZBVEFLVBMYHN-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
COc1ccc([C@H](C)NC(=O)C(=O)NN)cc1	90310947	QBZKTGHSQQOBOS-ZETCQYMHSA-N	237.259	-0.138	50	10	BBGE	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1	97291604	RDWLFPMXGOWTQX-QMMMGPOBSA-N	537.435	6.191	50	10	BBGE	
NC(=O)[C@H]1COCCN1C(=O)CCCl	129322115	UPMREZPFIWJGNP-ZCFIWIBFSA-N	220.656	-0.672	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCCC[C@@H]1O	167006489	JOVLPBBAEASTDW-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(=O)NCC	211937535	HQZHAPQBVNPPGC-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)[C@@H]1CCCCCS1(=O)=O	214735088	ZTUYGRYIBKYJRZ-LURJTMIESA-N	206.267	-0.666	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C(=O)NN)[C@@H](C)C1	226213020	CAOCYJYHEJCWHL-FXQIFTODSA-N	213.281	-0.083	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@@H](C)CC(=O)NN	234368457	RFKFTZXHXJEUOX-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
NC(=O)[C@@H]1CCN(C(=O)CCCl)C1	236251494	MPBXWYMZUMKHKS-ZCFIWIBFSA-N	204.657	-0.051	50	10	BBGE	
C[C@H](CSS(=O)(=O)O)NC(=N)N	238444801	PICKCQYFWVPTCC-GSVOUGTGSA-N	213.284	-0.606	50	10	BBGE	
Cn1cc(Br)c(CNC(=O)NN)n1	307312560	JTSPVJOMKLRXBY-UHFFFAOYSA-N	248.084	-0.145	50	10	BBGE	
Nc1sc2cc(B(O)O)ccc2c1O	307485627	AMWFPODMGWDAFR-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COCC(COC)OCCCC(=O)NN	308777257	IQPFVOOYRQVXIJ-UHFFFAOYSA-N	220.269	-0.566	50	10	BBGE	
CC(=O)n1ncc2ccc(B(O)O)cc21	308906947	VSAPXEOKEOFGED-UHFFFAOYSA-N	203.994	-0.624	50	10	BBGE	
C[C@@]1(O)CCCC(=NNC(N)=O)[C@@H]1O	383921418	KOLJHRKQGBHBCP-POYBYMJQSA-N	201.226	-0.694	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C	385007405	MVAOEIJBGCRQAZ-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1ccoc1C(=O)NN	385027711	ZRLTZWIGGJLBKX-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)c1coc(Cn2ccc(=O)cc2)n1	386768329	JIFYPPYCKYTZFA-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCCO2)nc1	390231212	HGZSYUCLNNGMGT-SNVBAGLBSA-N	223.037	-0.333	50	10	BBGE	
O=C1C[C@H](CN=c2[nH]nc(CCCl)o2)CN1	398405997	OYOVRLTUXUCANG-LURJTMIESA-N	244.682	-0.179	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCOC1	401639963	ZOPMHEMWXNQGAO-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)C1CC1	404966932	JSTURSDZPGQFOW-UHFFFAOYSA-N	223.012	-0.146	50	10	BBGE	
CCCCOC(=O)C[S@](=O)CC(=O)NN	586372332	WDKDTOMPDRAVOE-OAHLLOKOSA-N	236.293	-0.932	50	10	BBGE	
Cc1cn(C[C@H]2CCO[C@H]2C(=O)NN)cn1	675058778	XLLVGKNRHMGSNC-RKDXNWHRSA-N	224.264	-0.413	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1CCOC1	685956976	OIYQMQJPSCNIIJ-RXMQYKEDSA-N	210.180	-0.583	50	10	BBGE	
CO[C@@H]1CCC[C@@H](n2cc(B(O)O)cn2)C1	694486957	IWTLRRRFUWLHKV-NXEZZACHSA-N	224.069	-0.307	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1cn(C)nn1	702000127	ORABLKSLQPSILJ-SECBINFHSA-N	240.311	-0.595	50	10	BBGE	
NC(=S)NNC(=O)c1cncc(O)c1	706045764	VHSJYUOQAZOQKP-UHFFFAOYSA-N	212.234	-0.735	50	10	BBGE	
COCCOC1CN([C@H](C(=O)NN)C(C)C)C1	707347815	WACRWHHGWFZBIN-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
NC(=O)C1CC(NC(=O)CBr)C1	716704583	DRJDKQZDEHXRKB-UHFFFAOYSA-N	235.081	-0.239	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)CCBr	717354860	GYIGGVHWYDBSAY-WDSKDSINSA-N	240.097	-0.371	50	10	BBGE	
C[N+]1=NC(CNS(=O)(=O)CCl)=CC1=O	725703082	CITQOLSAHSZREU-UHFFFAOYSA-N	238.676	-0.379	50	10	BBGE	
CC(=O)NNC(=O)C1(N2CCOCC2)CCC1	761036513	PAOKBHWOQRVLTC-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
C#CC(=O)NNC(=O)CNC(=O)OC(C)(C)C	778437513	FMYFFLOCECFQBG-UHFFFAOYSA-N	241.247	-0.708	50	10	BBGE	
CO[C@@H](C)CC(=O)NNc1nnc(C)n1C	856050764	VDKDNAPHCZLWPN-LURJTMIESA-N	227.268	-0.008	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]12CCCN(CC1)C2	900352510	GHZAGNQUQJKVPM-JTQLQIEISA-N	226.280	-0.568	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cc[nH]n2)n1	1166396180	YOGLIIBJYYJRKM-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
O=C1CC[C@H](CNS(=O)(=O)CCl)CN1	1260937630	DOPIFOFBYGVYEO-LURJTMIESA-N	240.712	-0.372	50	10	BBGE	
O=C(CS(=O)(=O)C1CC1)NNC(=O)C1CC1	1463577224	XSFJXSKURGJOCJ-UHFFFAOYSA-N	246.288	-0.879	50	10	BBGE	
CC(=O)NNC(=O)CCc1ccncn1	1463819152	FUHVRZYVSGOXBY-UHFFFAOYSA-N	208.221	-0.424	50	10	BBGE	
C=C(CN1C[C@H](F)[C@@H](OC)C1)B(O)O	1895191422	NQDUAOWOGMYKCV-YUMQZZPRSA-N	203.022	-0.777	50	10	BBGE	
N[C@@H]1C[C@@H](CNC(=O)/C=C/C(=O)Cl)C[C@H]1O	1897226768	LHILKLBISQUPFW-MSGXPLJYSA-N	246.694	-0.478	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1897344152	VWHLFMFAMXENLE-WYCDGMCDSA-N	227.308	-0.687	50	10	BBGE	
C[C@H](O)CNc1ccc(B(O)O)cc1C#N	1901199081	GIPPANJDMZYMLO-ZETCQYMHSA-N	220.037	-0.969	50	10	BBGE	
CN(NC(=O)[C@H]1CC[C@@H]1N)S(=O)(=O)C1CC1	1901359521	YMEIAXHJVWJQNE-YUMQZZPRSA-N	247.320	-0.821	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@]2(O)CCOC2)C1	1902545809	JEIXUJFDCIYCBP-ZJUUUORDSA-N	229.085	-0.923	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	1903011170	XXLHROINXSGIAD-SSDOTTSWSA-N	224.044	-0.253	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3C[C@@H]3C2)c1B(O)O	1907072446	KJANYVSEALITLH-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)CCCN1CC=CC[C@@H]1CO	1909018900	QVBAJRLEGSNCTN-SECBINFHSA-N	213.281	-0.621	50	10	BBGE	
CCC[C@@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1910789897	GQTZGQUHJQSDLJ-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
C=CC[C@@H](C)OCCn1cc(C(=O)NN)nn1	1913341317	MKJBKLXHBWUTGW-MRVPVSSYSA-N	239.279	-0.137	50	10	BBGE	
CC(C)[C@@H](N=S1(=O)CCC1)C(=O)NN	1913861541	IYCYOILXPPGYIS-SSDOTTSWSA-N	219.310	-0.127	50	10	BBGE	
O=S(=O)(NCCCl)N1CCC(O)CC1	1914128928	CVFGDJGVGSXNGX-UHFFFAOYSA-N	242.728	-0.484	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	1914254141	IJZIUYDBTSQZST-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@H]1CCNC1=O	1916827243	XXTITPSUDZELTM-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(F)(F)C2)O1	1917281746	MXOGFXHBERFYJG-NKWVEPMBSA-N	235.234	-0.525	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1927913516	JYDFBXMDIFOGOR-PRJMDXOYSA-N	211.265	-0.519	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2COCC[C@@H]21	1928027362	UKUJQHIIBMWBMA-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)CN1CC[C@H]1C1CCOCC1	1928226647	MZAHXTTWADFUDE-VIFPVBQESA-N	213.281	-0.523	50	10	BBGE	
CC[C@@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1930888975	AJQDITRRGWVZLO-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1CCS[C@H]1CN(C)C(=O)C(=O)NN	1930933375	WNKKTICPOAIEPW-BQBZGAKWSA-N	231.321	-0.424	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CC(F)(F)C(=O)NN	1935942477	QTMKWWSWNOFMBJ-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)COCCOCCOCC1CC1	1936533529	LQTCJLWRUZYXQP-UHFFFAOYSA-N	232.280	-0.564	50	10	BBGE	
CC(C)N(CCCO)CCOCC(=O)NN	1936534780	LXXWGMIHNWCRQA-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@H](O)[C@H]2C1	1938376170	PJYWFHDGGXLJJL-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CN1CC[C@H](CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941086474	IUPYOHBZJYSYIT-GARJFASQSA-N	240.351	-0.504	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C[C@@H]1C[C@H]1C(=O)NN	1941095057	RTHKKKHZURFKFR-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
COC[C@@]1(CN2CC(=O)OC(=O)C2)CCCO1	1941835537	BHAFZRCPQWTLEZ-NSHDSACASA-N	243.259	-0.433	50	10	BBGE	
COC[C@H]1[C@H]2CN([C@@H](C)CC(=O)NN)CC[C@H]21	1944582057	QZBRMUQOMCTQMZ-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CCC(=O)NN	1955062100	FAWPZXBPZDNHOQ-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCS(=O)(=O)NC	1955557705	HAAAVWYXLHSJJZ-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
C[C@@H](CN(C)c1cnn(C)c1)C(=O)NN	1961351748	BYTFAQIVFLYAAW-ZETCQYMHSA-N	211.269	-0.518	50	10	BBGE	
CO[C@@H]1CCN(c2nc(B(O)O)cs2)C1	1961717658	DJNOGXLGCBVORP-ZCFIWIBFSA-N	228.082	-0.952	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C(=O)NN)CCO1	1977313524	LIDXOKUKWVTBRN-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CN(C)NC(=O)N[C@]1(C(=O)O)CCCOC1	1980637018	OXHYWTYYXUWTRS-SECBINFHSA-N	231.252	-0.604	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CCO[C@H]2C1	1981243308	UJNIZHUSWVPRJS-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
Cc1ccc([C@H](C)NC(=O)C(=O)NN)cn1	1982105081	YIZBUFNBXBOVQJ-ZETCQYMHSA-N	222.248	-0.443	50	10	BBGE	
C[C@]1(C(F)(F)F)CC(=O)N(CC(=O)NN)C1	1982229367	YCCAAZNYFBKJDC-ZETCQYMHSA-N	239.197	-0.223	50	10	BBGE	
CC[C@@H](C(F)F)N(C)CCOCC(=O)NN	1984218051	DIGCPUYCSWICCN-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
COC[C@H](OC1C(F)(F)C1(F)F)C(=O)NN	1985877967	RIRKUKPRBPHXGH-VKHMYHEASA-N	246.160	-0.339	50	10	BBGE	
N=c1nc(CCl)nc(N2C[C@H]3COC[C@@H]32)[nH]1	1987059904	SXWNAIJGENGOPJ-WDSKDSINSA-N	241.682	-0.142	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@@H]2CCOC[C@H]21)B(O)O	1992167891	RIXJJUZALPPOFH-HBNTYKKESA-N	225.097	-0.231	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CC12CCOCC2	1992191396	FLAKTCIQZABINS-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C=C(F)CNC(=O)c1cccc(B(O)O)c1	1992837462	YNFNTHWGHIYAKL-UHFFFAOYSA-N	223.012	-0.421	50	10	BBGE	
C[C@@]1(CNC(=O)NC(=O)CCl)CCNC1=O	1993212749	JUYVXFPFDHZVJJ-VIFPVBQESA-N	247.682	-0.423	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]2COC[C@H](C2)C1	1995162381	DBEPQDRKGQNUKX-ILWJIGKKSA-N	228.292	-0.338	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@]2(C)C[C@]2(CO)C1	2001045029	DUMQNSQGXWTCNF-GAIPPQHRSA-N	241.335	-0.295	50	10	BBGE	
CCCN([C@@H](CC)C(=O)NN)[C@@H]1CCNC1=O	2004315418	ZFKRDJOGYMSXGA-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CC[C@@H](COc1ccc(B(O)O)cn1)N(C)C	2008532209	VLEVVOXHGGWATQ-JTQLQIEISA-N	238.096	-0.520	50	10	BBGE	
Cc1ccnc(N2CC(C)(CF)C2)c1B(O)O	2008690479	RNZOLRRYKQRBLQ-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C(=O)CCC2=O)C1	2010832393	HXECPBOUFRSCRB-SFYZADRCSA-N	239.275	-0.458	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCC[C@@H](C)C2)C1	2014767384	XAGTUGAGDCGFEZ-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
COCCN(CCCCC(=O)NN)C1COC1	2018181685	MLCKCVGZFKAIKB-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C(C(F)F)[C@@H]2C1	2019178340	DIUXNGPWIKADLZ-RNFRBKRXSA-N	247.245	-0.403	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(CC(=O)NNC(C)=O)C1	2019207329	BGMXPYRURGWYCQ-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
COC1(CC(=O)N[C@@H]2CCC=C2B(O)O)CC1	2020056024	HIISILRISBPDBN-SECBINFHSA-N	239.080	-0.228	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](C2)O3)c1	2021437028	GPFGOUWEZSGZDA-TXEJJXNPSA-N	233.076	-0.661	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1CCc2ccc(B(O)O)cc21	2055631369	MJGMUUZGMHMADY-VHSXEESVSA-N	249.050	-0.387	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCN1C	2066392034	FYWDJRLNIXBUOM-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
O=C(CN1CCO[C@@H]2C[C@H]21)NNc1ccccn1	2075109218	PZQINZZKTJJPPL-NXEZZACHSA-N	248.286	-0.002	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1CN2CCC1CC2	2077337213	KEGNRXRTHSCEJP-LBPRGKRZSA-N	248.091	-0.766	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@H]3COC[C@H]2C3)cn1	2077830699	KFQPVEKJIKWIAD-NXEZZACHSA-N	248.286	-0.342	50	10	BBGE	
C=CCOC(=O)NCCc1ccc(B(O)O)cc1	2084671048	BESOZJFHYSTVPT-UHFFFAOYSA-N	249.075	-0.179	50	10	BBGE	
CON(Cc1nscc1B(O)O)CC(C)C	2211135835	MMDGPTDHAIZOIG-UHFFFAOYSA-N	244.125	-0.158	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1C[C@@H]2C[C@@H]2C1	2212278202	NBSDWNMHAOENLQ-ILWJIGKKSA-N	225.292	-0.116	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2212610800	PEQUBWCXHPQWPU-BDAKNGLRSA-N	221.069	-0.387	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC12CCCC2	2212759863	MJWJHJLRRWAQIH-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C[C@H](O)[C@@H]1C	2214809278	JXRQSPFPZLPGJR-WEDXCCLWSA-N	243.307	-0.755	50	10	BBGE	
CCNC(=O)CN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215775339	ZZSMZLBVTYJXBJ-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
CCC[C@H](OC[C@@]1(C)COCCO1)C(=O)NN	2216076410	ZUEHQVWCDMIVIV-GXSJLCMTSA-N	246.307	-0.033	50	10	BBGE	
OB(O)c1cnc(=NCCC2CC=CC2)[nH]c1	2217173681	SPRSIRRGZUUWSF-UHFFFAOYSA-N	233.080	-0.654	50	10	BBGE	
CC(C)(C)[C@@H](O)CNc1cc(B(O)O)ccn1	2217173954	VNQSEWRDPMVTFN-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
CC1(CF)CN(c2nccc(B(O)O)c2F)C1	2217186393	JTVXURTZQWVUGF-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
OB(O)c1cnc(NC[C@]23CCC[C@@H]2C3)nc1	2217194532	AQSGRCQKPAXJEL-LDYMZIIASA-N	233.080	-0.242	50	10	BBGE	
OB(O)c1cnc(NC2C3(CC3)C23CC3)nc1	2217201134	CIOCIZFSNZKTNA-UHFFFAOYSA-N	231.064	-0.489	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1Cc1cccc(B(O)O)c1	2220062235	GERSWLMHYHDBTG-PWSUYJOCSA-N	248.135	-0.465	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1N[C@@H]2CC[C@H]1C2	2223623547	ABLIRUMNBWNNOJ-IQJOONFLSA-N	248.091	-0.719	50	10	BBGE	
CCN1CCC[C@@H]1CNc1ncccc1B(O)O	2223632955	QBMBAMLPFDVSDD-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@H]1CN	2223633836	BTHFZRJSRGYGQV-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CN(C)CC1CC(Nc2ccc(B(O)O)cn2)C1	2223644294	HMYIXAVBVZHWSF-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
CC1(C)CN[C@@H](CNc2cc(B(O)O)ccn2)C1	2223671407	LNCPZQCBKNKZKY-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
CNCC1CCN(c2cc(B(O)O)ccn2)CC1	2223677469	OIGLPMKYAIRERW-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](F)C1	2241480812	MHFMBVQWUXFJGT-XVMARJQXSA-N	201.006	-0.580	50	10	BBGE	
C#CCNC(=O)c1cc(C)ccc1B(O)O	2243367660	WKYZZEUYICTLLV-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCC[C@@H]21)C1CC(B(O)O)C1	2243391926	PBTNNNLFAUHXFO-PGDQVTRHSA-N	225.053	-0.857	50	10	BBGE	
O=C(NCC1(O)CCCC1)[C@@H]1C[C@@H]1B(O)O	2243396649	PALSGLIUIZELLI-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C#CCC1CCN(C(=O)C#CB(O)O)CC1	2243403805	CWZJFAKLANDISX-UHFFFAOYSA-N	219.049	-0.736	50	10	BBGE	
CC1(C)CNC[C@H]1NC(=O)C1(B(O)O)CC1	2243409234	DGGCFDFQUWMQSK-SSDOTTSWSA-N	226.085	-0.892	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2243410435	BNJFVFXRVOLUJO-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
O=C(NC1CCCC1)c1csnc1B(O)O	2243412279	JQUAAICHAOLGTL-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2243427673	YYSFUZOBESFXGA-KNVOCYPGSA-N	223.041	-0.388	50	10	BBGE	
CON(CC1CC1)c1cc(B(O)O)ccn1	2245122462	GRVMHGGJHHNFEW-UHFFFAOYSA-N	222.053	-0.461	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H](F)C2)n1	2247153205	SCMSZLSEPJNNOC-SSDOTTSWSA-N	240.043	-0.682	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C(=O)C[C@@H]1C	2247724562	ZUZFKMBJOZYTER-YFKPBYRVSA-N	237.020	-0.971	50	10	BBGE	
O=C(NCCCCCF)c1ccoc1B(O)O	2247737054	BRCPVNLYWOXDRW-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCCCO1	2247740242	ICAFQUTUJHJQLH-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC(F)C2)c1	2247752452	PPHMSGUTEUTDJG-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
CC(C)ONC(=O)c1ccc(F)c(B(O)O)c1	2247760343	GVSBSZPOSVKHNV-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)n[nH]2)CCC1	2247783594	HZIOHZDOYRJRIU-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
Cc1cn(C)nc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247803306	ALUUEYAYHJTBTB-JGVFFNPUSA-N	237.068	-0.792	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@]2(CCN2)C1	2247807361	QVDIRQRUUFPZPR-FXPVBKGRSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)o1	2247846328	DSMKDDAPMHRLEH-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](CNC(=O)c1ccc(B(O)O)o1)C1CC1	2247849393	ZLYKGTAYUSESMO-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(NC1CN(CC(F)F)C1)C1(B(O)O)CC1	2247872203	OMUQXRIDVHDLKW-UHFFFAOYSA-N	248.038	-0.941	50	10	BBGE	
CN1CC[C@@](C)(NC(=O)C2(B(O)O)CCC2)C1	2247879402	UPWVAOLMXKDROO-SNVBAGLBSA-N	240.112	-0.406	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1n[nH]cc1B(O)O	2247884855	AQESWBRTGNCLDT-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
CC1(C)COC[C@H]1NC(=O)C1CC(B(O)O)C1	2247891898	PZBZDTMOYKOWPY-AMDVSUOASA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1CN	2247898220	BJIAPBASIRAKJI-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CC[C@@H]2O)C1	2247911550	WTCSPNNYNRCETC-HACHORDNSA-N	239.080	-0.777	50	10	BBGE	
CC(C)c1nc(C(=O)NCC=CB(O)O)n[nH]1	2248420030	MHJJERVITMFHAA-UHFFFAOYSA-N	238.056	-0.774	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248576001	IMXRDNUQCMSNCF-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1ccc(B(O)O)cn1	2248692479	NRJXHQLJPXPYPZ-PSASIEDQSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H](CF)N(C)Cc1nn(C)cc1C(=O)NN	2249276251	WAKQLRAYLLJKCT-ZETCQYMHSA-N	243.286	-0.187	50	10	BBGE	
CCCCNC(=O)CN1CCC(B(O)O)CC1	2249376961	AMWHBASPPOFXCV-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2249998170	FGCPYAXASLHHAA-KXUCPTDWSA-N	237.064	-0.924	50	10	BBGE	
COC[C@@]1(C)C[C@H]1C(=O)NCCC#CB(O)O	2250006718	OVGMHSQZXYSJFO-GXSJLCMTSA-N	239.080	-0.819	50	10	BBGE	
C[C@@H](CN(C)Cc1cccnc1O)C(=O)NN	2250765422	RGCLQLFFUGBILY-QMMMGPOBSA-N	238.291	-0.155	50	10	BBGE	
CON(CC1CC1)c1ncc(C)cc1B(O)O	2251000821	JCSQRQMUHVNIJQ-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
O=C(O)[C@H]1CCCCC[C@@H]1C(=O)NCB(O)O	2251311946	ZSYDIIUABWBRKM-YUMQZZPRSA-N	243.068	-0.604	50	10	BBGE	
C[C@@]1(CO)C=CCCN1c1cc(B(O)O)ccn1	2253432594	MJZSZMDTRMCTEW-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
C=C1CC(CNC(=O)c2cc(B(O)O)oc2C)C1	2255449215	LCLOQWXLLUXJHR-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1ccncc1B(O)O	2255458546	SKDLBILLKXZZCK-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC[C@@H]2C[C@H]21	2255498144	NPCNTRKIOMLSJR-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
O=C(NC1CCC=CCC1)c1cc(B(O)O)c[nH]1	2255679865	JQWUMOMYHLLLOP-UHFFFAOYSA-N	248.091	-0.077	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1	2255685902	IUOWXIIWOZSATM-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
C=C1CC(CNC(=O)c2ncccc2B(O)O)C1	2255721743	FEGGOUGZDFFRDJ-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2255738445	SSCYFUROKWQKKU-OORONAJNSA-N	247.059	-0.560	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255739607	NCQGYGPHOHCRBQ-MRVPVSSYSA-N	246.075	-0.746	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255928071	NDXNUOYJWFZBFY-QMMMGPOBSA-N	249.075	-0.446	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COC[C@H]1C2	2258776294	NYGBTEYZZGAVKT-CMPLNLGQSA-N	247.103	-0.413	50	10	BBGE	
CC[C@@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2298463659	RHRBNAFFXXGWTF-XLPZGREQSA-N	243.068	-0.391	50	10	BBGE	
C[C@H]1[C@@H](Oc2ncc(B(O)O)cn2)CC1(C)C	2302159886	QGMNFMNTVFZAAT-CBAPKCEASA-N	236.080	-0.030	50	10	BBGE	
CCOCCCNC(=O)N1CC[C@H](B(O)O)C1	2303164594	WGVYFFIJERRSOU-VIFPVBQESA-N	244.100	-0.329	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2303426093	KREOMHRGLQBMCJ-NGZCFLSTSA-N	247.314	-0.203	50	10	BBGE	
COCCCN(C)c1cc(B(O)O)c(F)cn1	2303834785	LWBMJXPYEHWHFE-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)CCO1	2303835688	AOBPZPJQDHSXSG-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
CN1CC[C@@H]1CNc1ccc(B(O)O)cc1C#N	2317168809	YWUJZXRIUQJOCC-LLVKDONJSA-N	245.091	-0.646	50	10	BBGE	
COCCN(CC(C)C)C(=O)C(=O)NN	42371140	WPEAEBXFTULIIZ-UHFFFAOYSA-N	217.269	-0.893	50	10	BBGE	
NCC(=O)NNC(=O)CCc1ccccc1	49818238	XCVZBUJEGJOZJN-UHFFFAOYSA-N	221.260	-0.275	50	10	BBGE	
C[C@H]1CCCC[C@H]1NC(=O)COCC(=O)NN	58839021	YHYYECIVCJXGKH-DTWKUNHWSA-N	243.307	-0.312	50	10	BBGE	
O=C(CBr)NC[C@@H]1CCC(=O)N1	70680442	VSXIUVZDRHZCGW-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
C[C@H]1CN([C@@H](C)CCC(=O)NN)CCO1	82466171	VZAJEYYSYSXJCP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(N(C)C)CC1	82467669	KNXNWRYPQKXBMT-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CN(CCO)Cc1ccoc1C(=O)NN	82468851	RGXAHTJBOYIEDP-UHFFFAOYSA-N	213.237	-0.693	50	10	BBGE	
C[C@](O)(CO)CNC(=O)CBr	85254610	NOXROEBJNLACIM-ZCFIWIBFSA-N	226.070	-0.759	50	10	BBGE	
NNC(=O)CCCCCSC[C@@H](O)CO	86661884	GFQKRXWDAOPWFR-QMMMGPOBSA-N	236.337	-0.377	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C(C)(C)CO	128752357	HLGDKEZDYKVLGD-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
COCCN(C)Cc1ccc(F)cc1B(O)O	199010731	VACQCRZDSJEWSH-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
OB(O)c1ncccc1Br	203715588	NUOANZXWCRHHHN-UHFFFAOYSA-N	201.816	-0.476	50	10	BBGE	
C[C@H](CN1CCC[C@@H](N)C1)C(=O)NN	216481580	YHXMAMICSUVDGG-HTQZYQBOSA-N	200.286	-0.965	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NCC(=O)OC	216978672	PEIMEOJTSBFLAB-VURMDHGXSA-N	225.248	-0.317	50	10	BBGE	
COC[C@@H](CCO)NS(=O)(=O)CCCl	228444109	DCTGEBCBGOQBOG-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCN(C)C(=O)C1	229088308	OCNBKBKVDIOTEP-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
Cn1cnc(CNC(=O)CBr)n1	236085963	HCEQMQCRIJSWPY-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
COc1cc(Cl)cc(B(O)O)c1O	238417248	FZSZFUXCKXTYSE-UHFFFAOYSA-N	202.402	-0.266	50	10	BBGE	
NC[C@@H](CBr)S(=O)(=O)O	238598313	BRRGREODGQGZPL-GSVOUGTGSA-N	218.072	-0.404	50	10	BBGE	
CN1C(=O)Cc2cc(COCC(=O)NN)ccc21	258955893	FWPDSAGREDGSOP-UHFFFAOYSA-N	249.270	-0.288	50	10	BBGE	
OB(O)c1cnc(-c2cncnc2)c(Cl)c1	309285947	HZSMNPMXPJSEIO-UHFFFAOYSA-N	235.439	-0.128	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1B(O)O	310253161	XFEHKJZBALGSSC-RBXMUDONSA-N	240.112	-0.781	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCCS(N)(=O)=O	310534090	AGJHJPLJCVXILY-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
COC[C@@H](C)N[C@@H](C)C(=O)NNC(C)=O	389898390	BKLLJQSGXHTLGA-RQJHMYQMSA-N	217.269	-0.833	50	10	BBGE	
CC[C@H](CO)N(C)Cc1cc(C(=O)NN)no1	393969164	JXPFMSKSWINGTQ-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](C)[C@H]1C	399577080	QLLPNERCVJWMMM-SGIHWFKDSA-N	229.324	-0.032	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	401932982	XXKZIRPMFZZKCH-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258196	GJMVPRTVIZJCOW-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1=O	690211052	ILTICPLBMKOHDY-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](COC)OC	691284981	FPVZNYRQBSRGON-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CCN(C[C@@H](C)O)[C@@H](C)CC(=O)NN	692155084	DWVPYHCQBSMLQH-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@@H](CO)C1	699488505	FMVIHVJUWFRAQA-RKDXNWHRSA-N	222.716	-0.806	50	10	BBGE	
CN(C)c1cc(C(=O)NNC(N)=O)ccn1	700850005	XNEWLXBGKHUABV-UHFFFAOYSA-N	223.236	-0.539	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](N2CCC2)C1	702306496	QZSMDHIDGCIMRI-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H]1C	706738742	NUFWXPGRAJWCCV-XLPZGREQSA-N	201.270	-0.669	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](C(F)F)C1	707180477	VKDYGXUUBRJLBU-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(n2cncn2)C1	707390109	BXBICXBKFVBDBN-JGVFFNPUSA-N	238.295	-0.851	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	707559067	SKEQQOQFOGCTSM-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
O=C(C1CC1)N1CCc2cccc(B(O)O)c21	712198770	WVKUZJYQXZPTDH-UHFFFAOYSA-N	231.060	-0.335	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H]3C2=O)c1	715705318	VWBVKDNOFXEMHA-IMTBSYHQSA-N	235.243	-0.139	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@@H]3C2=O)c1	715705322	VWBVKDNOFXEMHA-RCOVLWMOSA-N	235.243	-0.139	50	10	BBGE	
C[C@H](C(=O)NNC(N)=S)[C@@H]1CCCO1	720574181	YLWWBFGCILTCGN-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
O=C(NN=CC1(F)CC1)C(=O)NC1CC1	794482005	MOEIOPCBIXCCMK-UHFFFAOYSA-N	213.212	-0.131	50	10	BBGE	
CCOCC(=O)NN=C1CC(=O)N2CCC[C@@H]12	799480130	OROKESXANIMGLW-VIFPVBQESA-N	239.275	-0.110	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(O)(C#N)CC1	821980212	AAECYOFDJFXMKL-VIFPVBQESA-N	240.307	-0.649	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C23CC(C2)C3)cn1	859446708	CIOICBBHQDDKSL-UHFFFAOYSA-N	234.259	-0.019	50	10	BBGE	
O=C(NN=C[C@@H](O)CO)c1ccccc1O	1084066308	XKWMFFDCQSZRHA-SSDOTTSWSA-N	224.216	-0.539	50	10	BBGE	
CO[C@H](C(=O)NNc1nc[nH]n1)[C@@H]1CCOC1	1118770149	KNIZSECUCKKBIZ-RQJHMYQMSA-N	241.251	-0.701	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-]	1136448163	WCNFWVMNCFQNLK-UHFFFAOYSA-N	242.195	-0.766	50	10	BBGE	
Cn1nccc1C(=O)NNc1nccn(C)c1=O	1160934475	IDZSCUUATAVYHJ-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNC(=O)N(C)C	1320800446	OTFAAKSUUSJWJZ-HTQZYQBOSA-N	229.280	-0.039	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@@H]1C(F)F)C(N)=O	1325216616	DOPXGLYQQBURNA-IMJSIDKUSA-N	207.180	-0.071	50	10	BBGE	
COC1(C=NNC(=O)[C@H]2CCC(=O)N2)CCC1	1331722318	FWAOUWHQKRDNDA-MRVPVSSYSA-N	239.275	-0.064	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)C[C@H](C)O	1556926224	KSIJRSABQYSKMJ-DTWKUNHWSA-N	215.297	-0.576	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1nc[nH]c2ncnc1-2	1595227087	YUIDRJSXXHTUMR-UHFFFAOYSA-N	246.230	-0.525	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)c1ccncc1	1618393253	AALWFLYEOPOEAN-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1cncnc1	1631398101	BJVYWBSKOOMGQX-UHFFFAOYSA-N	237.263	-0.288	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)cc2)C1	1632674707	GYYYWKKEVNWIMD-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)CCCCl)C(=O)O	1865986681	JGGOIHRDUJCPKK-FSPLSTOPSA-N	223.656	-0.044	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSC1CNC1	1882111285	WDVXFROSWHLORF-VDTYLAMSSA-N	201.295	-0.683	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCSC1	1892081499	VLRZGEGRXIPOCB-UHFFFAOYSA-N	211.237	-0.382	50	10	BBGE	
O=C(CCC(F)F)NCC=CB(O)O	1892924190	NRUXCWIWMLDYNE-UHFFFAOYSA-N	206.985	-0.284	50	10	BBGE	
O=C1NCC2(CN(C[C@@H]3C[C@@H]3Cl)C2)N1	1893108055	PZHAPTSDIXNITN-BQBZGAKWSA-N	215.684	-0.019	50	10	BBGE	
NNc1ncnc(=NC[C@@H]2C[C@@H]2Cl)[nH]1	1893109057	WUCKOWICWXECSS-WHFBIAKZSA-N	214.660	-0.382	50	10	BBGE	
NC[C@](CF)(NC[C@@H]1C[C@H]1Cl)C(=O)O	1893207932	WZPWEUHBAVLKMB-BBVRLYRLSA-N	224.663	-0.045	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1[C@H](C)CC(=O)NN	1893851524	MGGCSHCWHBIASE-RNFRBKRXSA-N	235.309	-0.821	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCCCCCC(=O)NN	1900665112	OCMBGGCLLMJIFT-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](O)CNc1ccc(B(O)O)cc1C#N	1901201951	GIPPANJDMZYMLO-SSDOTTSWSA-N	220.037	-0.969	50	10	BBGE	
O=C([C@@H]1CCCOCC1)N1CC[C@@H](B(O)O)C1	1905584514	QBRKCTDUALNUKU-NXEZZACHSA-N	241.096	-0.122	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](CO)C(C)(C)C1	1914011126	OWFZEODRUZRFNN-AEJSXWLSSA-N	243.351	-0.049	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	1914254127	IHSQTUKRRSHLBC-HRDYMLBCSA-N	215.297	-0.544	50	10	BBGE	
C[C@@H](CC#N)N(C)CCOCC(=O)NN	1928180275	YZOAVXUIAPRLDA-QMMMGPOBSA-N	214.269	-0.773	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CCC[C@H]21	1928998970	GXOKHZIEVZDEJR-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21	1929838309	LWSWLFTTZLBHFU-CBHQDSPSSA-N	212.249	-0.977	50	10	BBGE	
O=C=NS(=O)(=O)N1C[C@@H]2CC[C@H]2C1	1929938601	HJPQLABNQSSACN-BQBZGAKWSA-N	202.235	-0.091	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1930174568	DYIWKDCAGQSCAI-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
CCc1occ(C)c1C(=O)NCB(O)O	1932586011	WMHLSUZYOMCGHN-UHFFFAOYSA-N	211.026	-0.108	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H](C)CC(N)=O	1938355560	BALWCTGCUFPZDG-BIIVOSGPSA-N	230.312	-0.803	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@]12CCOC2	1941082969	LCXQHGFAZVWTAR-HOSYDEDBSA-N	239.319	-0.133	50	10	BBGE	
COCCN(CCOC)C[C@H]1C[C@H]1C(=O)NN	1941090129	NEWWSCLBUTUNKY-NXEZZACHSA-N	245.323	-0.793	50	10	BBGE	
CC(C)n1ccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1941090230	YWFAOACILSMMBI-BDAKNGLRSA-N	238.291	-0.143	50	10	BBGE	
CC#CC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1941763753	AWQBNPDSPOSTMS-SNVBAGLBSA-N	235.287	-0.396	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1OC	1945883689	DIJZKZFEZSSQCX-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1946076905	WFAVXJDLRJHORJ-RKDXNWHRSA-N	244.339	-0.413	50	10	BBGE	
O=C([C@@H]1CC1(F)F)N1CC[C@@H](B(O)O)C1	1951322005	PSMITBHMOYKYIK-RITPCOANSA-N	218.996	-0.283	50	10	BBGE	
OC[C@@H](F)C1CN(C[C@@H](O)CCl)C1	1953832528	MXJWGHSYJOZCBZ-JGVFFNPUSA-N	211.664	-0.152	50	10	BBGE	
C[C@@H](O)[C@H]1CN(C(=O)CCl)CCO1	1954189968	SBNSLSKYDOCVFF-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)[C@@H]2COC[C@@H]21	1955240623	OWHMNYPLXBFHRP-LURQLKTLSA-N	216.668	-0.191	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnsn1	1956423462	ARRNGWCASMFICV-UHFFFAOYSA-N	215.282	-0.650	50	10	BBGE	
NC(=S)NNC(=O)CC1CCOCC1	1956768043	ZCRFWXMURMWFHJ-UHFFFAOYSA-N	217.294	-0.333	50	10	BBGE	
CC(C)OC[C@H]1CCN(CC(=O)NN)C1	1958317628	HSSMVYGKGWMWQY-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1959916352	DBTMBZXVPAXTRA-ZGQXEFDQSA-N	219.191	-0.864	50	10	BBGE	
CC1(F)CN(c2ccncc2B(O)O)C1	1961680606	QRGCGUDESQTBMP-UHFFFAOYSA-N	210.017	-0.690	50	10	BBGE	
C=CCCNC(=O)c1cccc(B(O)O)c1	1969450657	ZRLBUHPDEUNLOM-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1976088307	WIXCNWQAJAANMG-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C[C@H](O)CCl)CC[C@@H]21	1981052992	CVSAXEGIBBESQS-HLTSFMKQSA-N	247.726	-0.316	50	10	BBGE	
C[C@H]1CN([C@H](C)CCC(=O)NN)CC[S@]1=O	1981188705	QXWIAHLKPVHWOR-YNEJBJPTSA-N	247.364	-0.402	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[S@@]1=O	1981192287	QHPJNNKDHNNMPJ-PWJLMRLQSA-N	245.348	-0.791	50	10	BBGE	
COC1CN(c2ncc(Cl)cc2B(O)O)C1	1981468826	ISMULBRIRAPXOR-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
CCC1CN(c2cc(C)c(B(O)O)cn2)C1	1981469034	LNNYYKZJQSEILG-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
NNC(=O)CCCN1CC2(CC2)C[C@H]1CO	1981729488	ZOSXWHIWKSNCHR-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccoc1C(=O)NN	1985738616	AVRRUKRKFYNMSA-POYBYMJQSA-N	225.248	-0.552	50	10	BBGE	
COC12CC(C1)N(C[C@H]1C[C@@H]1C(=O)NN)C2	1986826826	LXYQGDGCNCRUSL-AZPRYWSXSA-N	225.292	-0.524	50	10	BBGE	
Cn1nnnc1C#CCOCCOCCCl	1988513022	DTZTXDCMVWVVOS-UHFFFAOYSA-N	244.682	-0.166	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1[C@H]2CC[C@H]21	1991334408	WCDIXLAOABAZEN-WPYKOPORSA-N	221.065	-0.141	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@H]2CCOC[C@H]21)B(O)O	1992167890	RIXJJUZALPPOFH-GMTAPVOTSA-N	225.097	-0.231	50	10	BBGE	
CC[C@@H]1CN([C@H](CC)C(=O)NN)C[C@@H]1CO	1994832355	DNJRXEQGMPOULT-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@@H](O)C2)n1	2000934012	KKHJLSUHFFBLND-SSDOTTSWSA-N	238.247	-0.989	50	10	BBGE	
N#CCCN(CCC#N)CC1(C(=O)NN)CC1	2003737021	WRQUGPCYYKDBIC-UHFFFAOYSA-N	235.291	-0.114	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)[C@@H]1CCCNC1=O	2004311858	QXEPGZMQZPKNQJ-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
Cc1nc(N2CC3(F)CC2C3)ncc1B(O)O	2004976478	NKWUJCRCDDOQOL-UHFFFAOYSA-N	237.043	-0.844	50	10	BBGE	
Cc1nc(Sc2cccnn2)ncc1B(O)O	2005005274	PEAHNWMCRXSCPX-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
C[C@H](O)[C@H]1CN([C@H](C)CCC(=O)NN)CCO1	2005913646	SCSLHLXHCSIVEJ-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1COC2(CCCC2)C1	2009142107	FUFLMRFOPXTEMR-MRVPVSSYSA-N	241.291	-0.464	50	10	BBGE	
CCc1ccnn1C[C@@H]1CC[C@@H](C(=O)NN)O1	2012152347	NGAWOVJRCROULB-UWVGGRQHSA-N	238.291	-0.017	50	10	BBGE	
CC[C@H](CN(C)c1ccc(B(O)O)cn1)OC	2014868285	XAVDPKRWMASOOJ-SNVBAGLBSA-N	238.096	-0.377	50	10	BBGE	
CC(C)CONC(=O)c1ccccc1B(O)O	2022196328	KRUWZCHCYAKBQQ-UHFFFAOYSA-N	237.064	-0.316	50	10	BBGE	
O=C(Nc1csnn1)c1ccc(B(O)O)cc1	2022199539	GKAJKZGQVHWMIH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N=c1nco[nH]1	2210099314	GVMHCNUFFTYWGC-VKHMYHEASA-N	218.600	-0.233	50	10	BBGE	
Cn1cnnc1Sc1cc(B(O)O)ccn1	2212600199	SSWRYEWWGDLYEK-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
CC[C@H](O)CNc1cc(B(O)O)c(C)cn1	2212605508	GBEPHMQFOPIOMD-QMMMGPOBSA-N	224.069	-0.747	50	10	BBGE	
COC1CC(Nc2cc(B(O)O)ccn2)C1	2212610616	LTUZFNYENGMZOA-UHFFFAOYSA-N	222.053	-0.649	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)CCC12CC2	2214781716	ZCGJEFPBSRAGFE-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2C[C@]2(O)C1	2215770122	AAULTEQDCJKYHU-KLBPJQLPSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2(CCOC2)C1	2215774086	CRGRBODMFWXDIG-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2215775814	JDWOESNLSBCSQA-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2CCO[C@H]2C1	2215778067	XCHNNCUMROOGQN-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H](CN1C[C@H](CCO)C(C)(C)C1)C(=O)NN	2216475028	RNKQBRZUCHMYBG-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)C1(Cn2ccc(O)cc2=O)CCC1	2216535023	VHHAAWBWGYDVGA-UHFFFAOYSA-N	237.259	-0.286	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Oc1ncccc1B(O)O	2217168101	RXIYBPKJTOHFMX-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](O)[C@@H](CC)Nc1ncc(B(O)O)cn1	2217178605	YGIJPZAWLDYVPW-BDAKNGLRSA-N	239.084	-0.882	50	10	BBGE	
N[C@H]1CCC[C@H]1CNc1ncccc1B(O)O	2217183769	KYNPUCAFKQVHJS-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1Nc1ccc(B(O)O)cn1	2217200024	QINRYSQEIJYXSV-NXEZZACHSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H](O)C3(CC3)C2)c1	2220071670	XJYXPLGFJREZDJ-GFCCVEGCSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3NCCCC[C@H]32)nc1	2223640684	YFYRGRFNFFSDDX-ADEWGFFLSA-N	247.107	-0.686	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2223670599	AICUYJNXMFGFIP-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
COc1ccnc(Cn2ccc(B(O)O)n2)c1C	2223832067	MRVFBPFEPLTWKY-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
COCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241496511	UAFIORGMKIRPBY-BQBZGAKWSA-N	201.031	-0.998	50	10	BBGE	
O=C(NO)c1scc(B(O)O)c1Cl	2241583594	AFSQYOJLNMUHHC-UHFFFAOYSA-N	221.430	-0.800	50	10	BBGE	
CO[C@@H](CO)CNC(=O)[C@@H](C)Br	2242436384	NWAFDRXOCCYQID-PHDIDXHHSA-N	240.097	-0.107	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CO1	2243347293	KWQNYGAKJUUIIG-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C[C@H](N)c1csc(NC(=O)C#CB(O)O)n1	2243350057	UXSZNGSEYWDLKH-YFKPBYRVSA-N	239.065	-0.883	50	10	BBGE	
C[C@H]1CNC[C@H]1NC(=O)C1(B(O)O)CCC1	2243364750	BRVQONDAEZWHEN-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C(=O)C1(B(O)O)CC1	2243365501	NLHCDGZGRXOSKV-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
Cc1csc(C(=O)N[C@@H]2C[C@H]2F)c1B(O)O	2243378612	WNEVPCDAHGSGEF-PHDIDXHHSA-N	243.068	-0.423	50	10	BBGE	
Cc1sc(C(=O)N[C@H](C)CF)cc1B(O)O	2243383228	VZXRWKZRKKRTJO-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)CCO1	2243399950	SUORVWUCKDZIDW-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)cc1C	2243405080	ZEIJYHRUGOUQKO-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@@H](F)C1	2243408078	GPIPAIFGDLTYSU-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2243411765	ZRUNFNJGTFPSIW-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCN1C	2243415640	ZGIDYFSNLNHOCW-RYPBNFRJSA-N	226.085	-0.942	50	10	BBGE	
C=C(CS(=O)(=O)N(CC)CCC#N)B(O)O	2243427115	QQJIMSSVFQNRKP-UHFFFAOYSA-N	246.097	-0.880	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@@H]1F	2247738255	OWYCFRNLHRAMGY-RQJHMYQMSA-N	241.027	-0.611	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1ccoc1B(O)O	2247742656	RTWABWAGIVZUSK-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
C=CCONC(=O)c1c(F)cccc1B(O)O	2247752678	UGZWZZRKBLAYBD-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
O=C(N1CCCC2(CNC2)C1)C1(B(O)O)CC1	2247753636	INJMTCBLOFAYOR-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)ccc2B(O)O)C1	2247760031	APMFQDXTXQBAIQ-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)cn1	2247775205	ILUSHSZRFQYKFX-VIFPVBQESA-N	232.048	-0.956	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCO[C@H]2C1	2247789696	ADAXXWYANJSKSC-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
CN(C[C@H]1CCNC1)C(=O)C1CC(B(O)O)C1	2247792204	RBCNZSWQUTUSGT-IDKOKCKLSA-N	240.112	-0.693	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807017	GXYVBOHDEJFFQP-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H](C)CN1	2247808165	SUKGTXFQRJDZKR-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H](O)[C@@H](F)C1	2247852105	OUJDQQWAMKUCBA-XSPKLOCKSA-N	245.059	-0.829	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cc(B(O)O)cn1CC	2247854621	GCNAYUYOAJYVEI-MRVPVSSYSA-N	238.096	-0.284	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CNC[C@@H]21)C1(B(O)O)CC1	2247854970	LKMWXAQYPMTUIW-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C(=O)C1CC(B(O)O)C1	2247858675	HCFOFMDSJZGBDL-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1ccoc1B(O)O	2247866929	VLSANVFRPGWBIK-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
CC(C)N(O)C(=O)c1c(F)cccc1B(O)O	2247867193	ALTPKKBPCDTJMJ-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
O=C(N1C[C@@H]2[C@H](CO)C[C@H]2C1)C1(B(O)O)CC1	2247872356	QXPZWMYLICOQAA-CIUDSAMLSA-N	239.080	-0.920	50	10	BBGE	
CCCONC(=O)c1cc(C)ccc1B(O)O	2247873501	CGOYXJXEWMEKEX-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	2247873986	NGTBOJSGBIDYPV-WPRPVWTQSA-N	233.076	-0.187	50	10	BBGE	
CN(C[C@H]1CCNC1)C(=O)C1(B(O)O)CCC1	2247874854	QEOFIWKCMRDLEM-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2CNC[C@@H]21	2247900389	WKEWXUZEHPIKIY-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2CNC[C@@H]21	2247905982	WKEWXUZEHPIKIY-WOOKNIGNSA-N	238.096	-0.940	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(B(O)O)C1	2247910051	MMQJMXGTVHLPHK-QLEHZGMVSA-N	238.096	-0.846	50	10	BBGE	
CC=CC(=O)N1CCc2cc(B(O)O)ccc21	2248420425	UDOZGWCXAZGDPB-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C[C@H](CCC(=O)O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2248573758	JJOYSAAMKYAWCF-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
COC[C@@]1(C)C[C@H]1Nc1ccc(B(O)O)cn1	2248708659	RWLYKRXVQMIPII-MWLCHTKSSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccccc1B(O)O	2249299210	BSNBKTLCTKGBRU-QMMMGPOBSA-N	239.055	-0.204	50	10	BBGE	
C=COCCCNC(=O)c1cc(B(O)O)co1	2249420713	XSLIUZCMNPFUOD-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
Cc1cc(C(=O)Nc2nc[nH]n2)ccc1B(O)O	2255513618	UWFCXHZGXIPAKT-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)[C@H]1C[C@H]1C	2255716945	VYCJWNWTJRIPEB-WEDXCCLWSA-N	248.091	-0.464	50	10	BBGE	
C[C@H](CNC(=O)c1ccncc1B(O)O)C1CC1	2255729295	SQCQCRIMHJKFPN-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1ccncc1	2258127774	LLJJSDCRUDZPGB-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2NCC[C@H]2C1	2298369215	MTCXIMDYIDFDFL-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375477	LQVWZGLLPLNHMD-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376672	ICYLYONVJTVCSR-QCLAVDOMSA-N	240.112	-0.694	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1CC(=O)NNC(C)=O	2299235862	ZENUWPKYYIHGFS-NXEZZACHSA-N	241.291	-0.835	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2302050830	UTTSYDKIKKEPQJ-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
CCN(C)C[C@@H](O)CN1CC[C@](C)(B(O)O)C1	2303097415	OKAKLVREISLMRN-MNOVXSKESA-N	244.144	-0.762	50	10	BBGE	
O=C([C@H]1[C@@H]2CCCO[C@@H]21)N1CC[C@@H](B(O)O)C1	2303110862	DUNWSNORUHFBOC-KATARQTJSA-N	239.080	-0.513	50	10	BBGE	
CCN1CC(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2303226427	RCTVSCQRVKVFGA-MGCOHNPYSA-N	240.112	-0.693	50	10	BBGE	
C[C@@H](CN(C)C)N(C)c1ccc(B(O)O)cn1	2306885721	BCUZKCVEVNXAAL-VIFPVBQESA-N	237.112	-0.852	50	10	BBGE	
Cc1ccc(COCC2CN(C)C2)cc1B(O)O	2313831466	ILBITPRTAADNGM-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
Cc1nc(OCC2=CCCOC2)ccc1B(O)O	2327493935	ZHTCNVXYMIXZNJ-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
CCCNNC(=O)C(=O)NNCCC	2009303	VLYHUYSRFZJMFQ-UHFFFAOYSA-N	202.258	-0.952	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CCS(=O)(=O)C1	40166942	MCBPLPIHIOXWFD-ZETCQYMHSA-N	235.309	-0.803	50	10	BBGE	
CN(C(=O)C(=O)NN)c1ccccc1F	50010709	XJCIQPUJVQSJJV-UHFFFAOYSA-N	211.196	-0.222	50	10	BBGE	
C[C@H](CN1CCC(N(C)C)CC1)C(=O)NN	82467673	RXQSUSWCMPPVFM-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
COC[C@@H](Cl)CNS(=O)(=O)N(C)C	83212669	PCYKZGOBUMYVPW-LURJTMIESA-N	230.717	-0.364	50	10	BBGE	
NNC(=O)COc1ccc(C(N)=O)c(F)c1	87542840	BUPJXVOHCFFBJB-UHFFFAOYSA-N	227.195	-0.707	50	10	BBGE	
CCn1ccn(CC(C)(C)C(=O)NN)c1=O	87667099	HYIBTOKADJDVEU-UHFFFAOYSA-N	226.280	-0.314	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C2CC2)CC1	110597271	IQTYOYBTHVIRFB-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(=O)N2CCC[C@@H]2C1=O	139599172	GMGQEIKMCXCUDK-HTQZYQBOSA-N	241.678	-0.049	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)NN(C)C	149141380	BNRUKTZWIAAVOA-ZCFIWIBFSA-N	203.242	-0.032	50	10	BBGE	
NC(=O)[C@H]1CCCN(C[C@H](O)CCl)C1	157935441	BXOCQZQKEIUNFL-JGVFFNPUSA-N	220.700	-0.217	50	10	BBGE	
CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	170068265	KYIRAKNWGLQGKF-DTWKUNHWSA-N	228.101	-0.493	50	10	BBGE	
O=C(CO)NNC(=O)Nc1ncccc1F	193911644	HOFWNRRZSDMWDS-UHFFFAOYSA-N	228.183	-0.634	50	10	BBGE	
COC(OC)(OC)c1ccc(B(O)O)cc1	195992721	FNFCOFPEOLLTHF-UHFFFAOYSA-N	226.037	-0.584	50	10	BBGE	
OB(O)c1cccnc1OC(F)(F)F	203993322	GREFUOVWGQXCBM-UHFFFAOYSA-N	206.916	-0.340	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](CCO)C1	227444642	QKCLNCSHLQUQEJ-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
CCN(CCCN(C)C)[C@@H](C)C(=O)NN	230740537	JCNBQLOWGXCGJD-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
CCOC(=O)N[C@H]1CCC(=O)OC1=O	238285350	KUEJJRCSYNTVHL-YFKPBYRVSA-N	201.178	-0.035	50	10	BBGE	
COc1cc2[nH]cc(B(O)O)c2cc1F	238400161	LDTDCTXIXQFNTI-UHFFFAOYSA-N	208.985	-0.005	50	10	BBGE	
N#Cc1cncc(B(O)O)c1C(F)(F)F	238636023	OGPUEOMPUFNBQQ-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCCC[C@H]1CO	253176437	PRYVRBGBNNHWKE-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N1CC(=O)OC(=O)C1	301023713	OKZZGBNPFBPRFW-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
O=C1CN(C(=O)NCCCl)CCN1	307606358	DMRCTHXCJLPUSK-UHFFFAOYSA-N	205.645	-0.633	50	10	BBGE	
Cc1[nH]c(=NC(=O)CCl)sc1C(=O)NN	308512813	NDPLYLYYVMHXCD-UHFFFAOYSA-N	248.695	-0.346	50	10	BBGE	
CO[C@H]1COCC[C@H]1NS(=O)(=O)CCl	310480426	LFSAEERWVWQUCF-RQJHMYQMSA-N	243.712	-0.094	50	10	BBGE	
COC1(C)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	382610296	ZPSNBHNVZUWGJZ-IUCAKERBSA-N	243.307	-0.755	50	10	BBGE	
COC(=O)CCn1ccc2ccc(B(O)O)cc21	382644475	UAXRQUQHEWDPHG-UHFFFAOYSA-N	247.059	-0.116	50	10	BBGE	
C[C@@H]1CN(Cc2occc2C(=O)NN)C[C@@H]1O	388798628	JBZLKDZEULWZFI-APPZFPTMSA-N	239.275	-0.304	50	10	BBGE	
C[C@@H](CO)N(C)[C@@H](C(=O)NN)C(C)(C)C	395593390	NGOBSDJVPKJOMQ-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
CCOC(=O)Cc1ccc2nc(B(O)O)oc2c1	396111819	KFDZGDZHLFENNY-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)[C@H](C)CC(=O)NN	400003007	ZNSGNBUHLKDCBJ-VGZKNDNBSA-N	235.353	-0.546	50	10	BBGE	
CCOC(=O)NCc1sccc1B(O)O	405075462	DKAZQRKUQQJJKT-UHFFFAOYSA-N	229.066	-0.326	50	10	BBGE	
CC(C)NC(=O)Nc1cccc(B(O)O)n1	405129976	FKQTZQCUWKZSQH-UHFFFAOYSA-N	223.041	-0.709	50	10	BBGE	
C#CCN(CC#C)CC(=O)NNC(=O)C(C)(C)C	491724826	AKNNDAAWRXJLJO-UHFFFAOYSA-N	249.314	-0.252	50	10	BBGE	
C[C@H](CN(C)[C@H]1COC[C@@H]1C)C(=O)NN	688147515	RPYUVZKYMDIVDE-VGMNWLOBSA-N	215.297	-0.421	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2CCNC2)CC1	692124634	NBDSKPMGSALDQD-JTQLQIEISA-N	237.303	-0.137	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C#N)C1	693986076	KZTCTOVXOKBCQZ-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1ccn([C@H]2CCOC3(CCC3)C2)n1	694309928	RQAMFECIRMVYCF-VIFPVBQESA-N	236.080	-0.163	50	10	BBGE	
CCOC[C@@H](Cl)CNC(=O)c1nnn(C)n1	697224305	WHGDYKTUVALVCH-LURJTMIESA-N	247.686	-0.416	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cccnn2)CC1	701792104	RIOWOWRQNADNCK-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
Cc1cnccc1Cn1ccc(B(O)O)n1	705336029	JEAPBMZHFYMTBT-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CCCCC(=O)NN	706207493	QZQVZPHDDHJFHA-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1cnc[nH]1	709747836	YBTNWBOOGUCPBM-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H](F)[C@H](F)C2)on1	714557631	FPWVAAFQBJATMF-RNFRBKRXSA-N	246.217	-0.230	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)c1cn(C)nn1	716755104	WMCVEIGJPDWQRS-SSDOTTSWSA-N	245.714	-0.286	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]2C1	718251056	DZUDKVWCMUMASK-OPRDCNLKSA-N	227.308	-0.421	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1	720837576	GTRWUTZJLRLLTK-GUBZILKMSA-N	236.080	-0.480	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@H]2C1	724822111	LIZCHFYCZHKNNE-AEJSXWLSSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN=Cc2cnn(C)n2)O1	863168749	LFVGDMKBUNSKFM-VXNVDRBHSA-N	237.263	-0.167	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)N(C)C	900427419	KEGSTAPEDAPREG-WWVFMHICSA-N	201.226	-0.774	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@H]1CCCS1	911294886	GJWIOYDVYQPWSS-IOEWOSKSSA-N	244.316	-0.034	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1	1163317587	ZTTFZUHVYIHRDH-LURJTMIESA-N	242.235	-0.120	50	10	BBGE	
O=C1C[C@H](NS(=O)(=O)CCCl)CO1	1253560106	NMSQMYCWISGTTQ-YFKPBYRVSA-N	227.669	-0.540	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C/c1ccncn1	1442296985	VVXPLZAQOLHEOJ-ONEGZZNKSA-N	235.247	-0.160	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2ccncn2)CCN1	1624513377	JKXNMHUWFGLOFT-SSDOTTSWSA-N	235.247	-0.554	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)C(=O)C(=O)NN	1878110565	TVQYDVIZMYOWEO-SVGQVSJJSA-N	203.217	-0.817	50	10	BBGE	
NC(=O)NC(=O)CNC1CC(Cl)C1	1881721627	ORHRDXJDOMOIQZ-UHFFFAOYSA-N	205.645	-0.459	50	10	BBGE	
O=C(Cn1cncn1)NOCCBr	1883018870	PTPVLTCCMCJURT-UHFFFAOYSA-N	249.068	-0.279	50	10	BBGE	
NC(=O)C1(O)CN(C[C@H]2C[C@@H]2Cl)C1	1883550945	HMYZBGIURXMWGU-RITPCOANSA-N	204.657	-0.854	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCOCC[C@H]1N	1884594367	DIFCXCVRILMECY-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H]1COCCO1	1884831143	MTEOFXIWEDXSTH-SFYZADRCSA-N	217.652	-0.241	50	10	BBGE	
CS[C@H](C)C(=O)NCC=CB(O)O	1886641622	MFVFUKFZSXQOAV-ZCFIWIBFSA-N	203.072	-0.578	50	10	BBGE	
O=C(F)NC[C@]1(O)CCCS(=O)(=O)C1	1891538005	LMLIKHOJGSKDAX-SSDOTTSWSA-N	225.241	-0.395	50	10	BBGE	
CCCOCCN1CC[C@H](B(O)O)C1	1891559323	IBHGBCATEPAMNT-VIFPVBQESA-N	201.075	-0.038	50	10	BBGE	
C[S@@](=O)CCN1CC[C@](C)(B(O)O)C1	1891586883	YGYDCMOBEDOGTA-RMLUDKJBSA-N	219.115	-0.696	50	10	BBGE	
CO[C@H](C)CCN1CC[C@@H](B(O)O)C1	1891586922	YQCRAWCTLFSXNR-RKDXNWHRSA-N	201.075	-0.040	50	10	BBGE	
C[C@H](CCCl)NC(=O)Cn1cnnn1	1892824103	ILIDXZVIPDOCNV-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CN(C)CC[C@@H]21	1895055383	TWJNZTLLOQURLB-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	1900036516	UCGXEICEMJWWPW-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](N)CC(=O)NN(C)S(=O)(=O)C1CC1	1901343425	XMGAZAGITAQNEO-ZETCQYMHSA-N	249.336	-0.431	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1CCCN1	1901344349	PEKVBBRRIVAXBO-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CC[C@@](C)(CN(C)CC[S@](C)=O)C(=O)NN	1902715298	GBCMJRPIVXNYGY-QFYYESIMSA-N	249.380	-0.297	50	10	BBGE	
CC[C@](C)(Cn1nc(C)oc1=O)C(=O)NN	1902731071	GTRSYTWBRBKDGB-SECBINFHSA-N	228.252	-0.449	50	10	BBGE	
O=C(NNCCO)c1cnc(C(F)(F)F)o1	1903001651	UCPLPLAGNXRDHH-UHFFFAOYSA-N	239.153	-0.080	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1914018444	FWVSYJVBKKBSBE-IVZWLZJFSA-N	241.335	-0.437	50	10	BBGE	
C[C@H](CN(C)CCOC1CC1)C(=O)NN	1914552863	VMLILNJFQOYFSP-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2(COC2)C1	1915572377	HLSDRFKMLSGBOX-DTWKUNHWSA-N	225.292	-0.665	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@H]1CC(O)C2)C(=O)NN	1922764447	CPLBGNDIEVPYRE-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]21	1928993728	HEUURLCNTMAYQW-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C2(CC2)C1	1930236115	VTNWNNWECCOECP-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
C[C@]1(CCl)CN(C(CO)CO)C1=O	1931733869	QVBYTRGHUDDKIE-QMMMGPOBSA-N	207.657	-0.573	50	10	BBGE	
NNC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1	1932581639	KLTIUZACBNJDHI-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CCC(=O)NN)C1	1934918611	WGPXMCBSWGAHEN-OCAPTIKFSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1935286562	OCYDZBJRAFMGCU-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
CCO[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1938231571	ZJNYQXGBQAYUEX-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@H]2[C@@H]1C(=O)O	1939891059	QDBOXDVWTAXFSY-XLPZGREQSA-N	227.264	-0.032	50	10	BBGE	
CN(C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081291	ASXXZGMNXJRHRF-GARJFASQSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H](O)[C@H]2C1	1941083377	QDLAJEGHFMUSHJ-HHKYUTTNSA-N	239.319	-0.685	50	10	BBGE	
Cc1cc(C)n(C[C@H]2C[C@H]2C(=O)NN)c(=O)n1	1941089789	XDWLBZAJUMWWBW-RKDXNWHRSA-N	236.275	-0.514	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@H]1C(N)=O	1942617298	XCNUEHHUPFSJKO-WEDXCCLWSA-N	242.323	-0.659	50	10	BBGE	
NC[C@H]1CCN1CC(=O)NNc1ccccn1	1942859363	XCZRMLWBBDSGQY-SECBINFHSA-N	235.291	-0.442	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](COC)(OC)C1	1946472655	CITYXWQWLYNKCV-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@@H](CO)C1	1948808089	XJTIJPIAPNLOKJ-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CN1CCN(CC2CC(=O)OC(=O)C2)CC1	1951600548	NSFRQLNPLSKJOV-UHFFFAOYSA-N	226.276	-0.286	50	10	BBGE	
NNC(=O)CN1C[C@H]2CC[C@@](F)(C2)C1	1956620875	MPJGBAQVHYXPCY-IONNQARKSA-N	201.245	-0.200	50	10	BBGE	
CC(C)[C@@H](CN)SCCOCC(=O)NN	1958114865	QQKPXDVJTMEIPX-MRVPVSSYSA-N	235.353	-0.291	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1960970123	VRSCQURSVFQANG-HLTSFMKQSA-N	212.297	-0.857	50	10	BBGE	
COCCN(CC(=O)NN)[C@@H]1CCSC1	1961271471	SGTCALWZDAQZII-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
CCCN(C)c1ncc(C)cc1B(O)O	1961717791	GFHFHPVZLVCDRW-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
CC1CC(C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1976979915	RBGMJCNVENMYIT-AHXFUIDQSA-N	229.041	-0.925	50	10	BBGE	
CON([C@@H](C)[C@H](C)C(=O)NN)[C@@H]1CCOC1	1978750109	LKKODWYWIAJURL-XHNCKOQMSA-N	231.296	-0.347	50	10	BBGE	
NNC(=O)CCN(C[C@@H]1CCOC1)C1CC1	1980760835	ZWZUMMNXLMPAGS-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@]1(F)CCN(c2ccc(B(O)O)cn2)C1	1981408862	GHHIFUNSMCRZNC-JTQLQIEISA-N	224.044	-0.300	50	10	BBGE	
Cc1cc(N2CC[C@@H](C)C2)ncc1B(O)O	1981414099	NVVDZHZZTNXPGP-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
CC(C)C1CN(c2ccncc2B(O)O)C1	1981414567	TUXXTGXVMMPLFH-UHFFFAOYSA-N	220.081	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](F)[C@@H](CO)C1	1983560425	UNJJAEAJMWUAGO-MAUMQABQSA-N	233.287	-0.737	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H](C2)[C@@H]1CO)C(=O)NN	1984193163	NICPCHMYEHPDFI-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1OCC[C@H]1F	1984336513	AEJYWQJMDWMPNF-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CCOCCSc1ncc(B(O)O)c(C)n1	1986416454	XFRUGGMPOLUAGT-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCN2CCOC[C@H]2C1	1986930775	LXCWCJXGURHOKW-BDAKNGLRSA-N	248.710	-0.305	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCCN1C	1986996090	VWNMBYQZZFTISX-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
O=C([C@H]1CCCN1C(=O)F)N1CCNCC1	1987564579	MHIDYTLLCZQTHS-MRVPVSSYSA-N	229.255	-0.028	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC1(C)C	1990774446	JBHHAGKOWJUSLE-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@H]1[C@H](O)CO	1991712039	BQXPXHGQUNECAO-XMYQNILUSA-N	247.678	-0.348	50	10	BBGE	
CN(C)CC1(NC(=O)/C=C/C(=O)Cl)COC1	1991717078	RXLAIQIPUSZUNS-ONEGZZNKSA-N	246.694	-0.245	50	10	BBGE	
C=C(CN1CC[C@@H]2CCN(C)[C@@H]2C1)B(O)O	1992153972	ULIMPNCESJXROG-WDEREUQCSA-N	224.113	-0.419	50	10	BBGE	
COC[C@@H](C)Cn1nc(C)c(B(O)O)c1C	1992684261	FIDNLTUYYZGMMQ-ZETCQYMHSA-N	226.085	-0.538	50	10	BBGE	
Cc1nc(N2[C@H](C)CC[C@H]2C)ncc1B(O)O	2004972238	CBEZSLSAGTTYHK-HTQZYQBOSA-N	235.096	-0.158	50	10	BBGE	
Cc1nc(N2CC[C@](C)(F)C2)ncc1B(O)O	2004972365	DUXTZSZFSUOFPY-JTQLQIEISA-N	239.059	-0.597	50	10	BBGE	
OB(O)c1cnc(N2CC3(CCC3)C2)c(F)c1	2005017469	FRYRGPBSZOEHSI-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@]1(C)COCCO1	2005978256	RVBOADVPXSUDLW-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2[C@H](O)C[C@H]2C1	2008869690	DSVMZMVBOVATOT-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C(=O)COC2=O)C1	2010835790	SGQYFGWZXULXFH-BQBZGAKWSA-N	241.247	-0.629	50	10	BBGE	
CO[C@H](C)COc1nc(C)nc(C)c1B(O)O	2011812323	DMMVEJMEFXYXNI-ZCFIWIBFSA-N	240.068	-0.813	50	10	BBGE	
CCOc1cc(C)c(B(O)O)cc1C=O	2060146988	ZBSXARSDHQWUFW-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
Cc1cc(OCc2ncn(C)n2)cc(B(O)O)c1	2077062012	PUAQAQUKILIMAO-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
NNC(=O)C12COC(Cn3ccccc3=O)(C1)C2	2082593920	IXJPZVTWIYYRGZ-UHFFFAOYSA-N	249.270	-0.613	50	10	BBGE	
OCC(CO)N[C@H]1C[C@@H](Br)C1	2208975780	NTIISFDQRNHWBW-OLQVQODUSA-N	224.098	-0.145	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@H]1CCC[C@@H]1O	2210165595	NXWVNEBMMAVKFF-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C#CCC(C)(C)Oc1ncccc1B(O)O	2212603677	ILVCWMGEFFXPPS-UHFFFAOYSA-N	219.049	-0.058	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)CCC[C@H]2C1	2213404952	JLECKOJKFZCKQY-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CON1CCN(C[C@@H]2CC[C@H]2C(=O)NN)CC1	2215771647	JFJGQJIOTRDBGH-VHSXEESVSA-N	242.323	-0.819	50	10	BBGE	
COC1(CF)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215772878	QORMDNVCDBZTJZ-DTWKUNHWSA-N	245.298	-0.327	50	10	BBGE	
Cc1cnn(CC2(C(=O)NN)CCOCC2)c1	2216863128	ITGMVZJXQJSSIR-UHFFFAOYSA-N	238.291	-0.022	50	10	BBGE	
COC[C@@H](Nc1ccc(B(O)O)cn1)C1CC1	2217173715	TULSNUJIMRPCMT-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(=NCC2C[C@@H]3C[C@H]3C2)[nH]c1	2217182766	CSAXSCAKJGUVEZ-RKDXNWHRSA-N	233.080	-0.964	50	10	BBGE	
CC[C@]1(Nc2ncccc2B(O)O)CCNC1	2217200383	KAYTUOOOLLBWCP-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
CCCN1CC(Nc2ccc(B(O)O)cn2)C1	2217201152	OIGAUTNGKYXNPW-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCCCN[C@@H]32)nc1	2223640687	YFYRGRFNFFSDDX-ZMLRMANQSA-N	247.107	-0.686	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@H]2C[C@@H]21	2223652315	ICHAPAGNPHDZHL-VFRUTBLMSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CNCC[C@@H]32)nc1	2223666555	MNZQKDFXZLSPLD-INTQDDNPSA-N	248.091	-0.862	50	10	BBGE	
NCC1CCC(Nc2cc(B(O)O)ccn2)CC1	2223667304	OPYGUFBANUSLHT-UHFFFAOYSA-N	249.123	-0.309	50	10	BBGE	
CC1(O)CC2(CN(c3ncccc3B(O)O)C2)C1	2223678068	WRGHMWYPALDMPO-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)C(=O)C#CB(O)O	2243356678	LLLFVQGCKZLLFU-MYJAWHEDSA-N	221.065	-0.494	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1occc1B(O)O	2243358851	LJJPUYPFCDURBP-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
CC1([C@@H](CO)NC(=O)C2(B(O)O)CC2)CC1	2243363390	GBFVETXLUCSJJD-SSDOTTSWSA-N	227.069	-0.729	50	10	BBGE	
C=CCN(C)C(=O)c1scc(B(O)O)c1C	2243381349	FKHRHBXHGHUYPT-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(C(F)F)C1	2243383256	WLMFWICDTJWUCM-IAQIWYKVSA-N	233.023	-0.037	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)sc1C	2243385436	IXMCZYIGQBCSDS-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243391564	LWIDRUIWDYXTRO-IWSPIJDZSA-N	224.069	0.000	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCO)CC1CC1	2243396438	MCWRXXIUJBYSBJ-IUCAKERBSA-N	227.069	-0.920	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243397157	WPEXGJFYJBMLFH-DPYQTVNSSA-N	236.986	-0.084	50	10	BBGE	
CC1(C)C(CNC(=O)C#CB(O)O)C1(C)C	2243399556	NNZUHTWMZOUOSL-UHFFFAOYSA-N	223.081	-0.200	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)C#CB(O)O)CC1	2243401024	LDLCLMXOVNQFER-VIFPVBQESA-N	220.037	-0.846	50	10	BBGE	
CC[C@](C)(COC)NC(=O)[C@H]1C[C@@H]1B(O)O	2243404008	HPMRABODGSIAQK-OYNCUSHFSA-N	229.085	-0.219	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccoc1B(O)O	2243407422	RLYGMQQKMHTBMF-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2F)oc1B(O)O	2243410901	JYECQANISHBMPC-RITPCOANSA-N	227.000	-0.892	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243426315	GMIUTSMDTLLTSZ-BIIVOSGPSA-N	229.085	-0.628	50	10	BBGE	
Cc1cc(NC(=O)C(F)F)cc(B(O)O)c1	2243674166	GDAXAOFZYVBGMP-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
C[C@]1(C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2243758121	AKQWMTZBADTDJU-MRVPVSSYSA-N	227.025	-0.931	50	10	BBGE	
C=C[C@H](C)Oc1nc(OC)ccc1B(O)O	2244126558	DLGKGKTUAYBMHY-ZETCQYMHSA-N	223.037	-0.277	50	10	BBGE	
O=C(NCCC1CC1)c1cc(B(O)O)co1	2244205192	HASADRYDZGGMJM-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
OB(O)c1ccccc1OCC[C@@H]1CCO1	2246165534	SQSRDLWEQYELNG-VIFPVBQESA-N	222.049	-0.076	50	10	BBGE	
O=C(NC[C@@H](O)C1CCC1)C1(B(O)O)CCC1	2247735217	XMJDUNXIFVZHSM-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1ccc(B(O)O)o1	2247740521	LWRYOQDFHJRXGV-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccc(B(O)O)o1	2247744034	MONKMGMVZTZZPS-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1(F)F	2247744319	RAFSEGGNLXMQBK-FBCQKBJTSA-N	244.006	-0.922	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2247753365	GDAOUECWMKJSFD-JIGDXULJSA-N	235.048	-0.512	50	10	BBGE	
CC[C@H](NC(=O)c1occc1B(O)O)C(F)F	2247755549	KGPXUUWIKCTSBK-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788019	YBYMLPLBSQGTCY-AXTSPUMRSA-N	243.112	-0.237	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CCNCC1	2247796794	CUCZCIIIMAAFJZ-UJNFCWOMSA-N	240.112	-0.646	50	10	BBGE	
Cc1ncnc(C)c1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247800054	KXIFSPWBNUFJMB-SFYZADRCSA-N	235.052	-0.105	50	10	BBGE	
O=C(NCCC1CCOCC1)[C@H]1C[C@H]1B(O)O	2247803484	BKBSNAYYXWYVSX-VHSXEESVSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247804587	HRZCRULUSFDFLF-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247807733	RULIRTKRMBDHGT-HLTSFMKQSA-N	239.080	-0.120	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247809671	QLBBORGFIHGSFO-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2247810364	WUUMUDBZUHNSEA-NFTFJBJSSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCC(F)(F)C1	2247851245	XFIRFAVRFUFOLO-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
O=C(N1CC[C@H]2NCC[C@H]2C1)C1(B(O)O)CC1	2247856393	JAGGLPRMQUXVLP-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CC1(C)NCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247870113	FAQYFTYASDMUTH-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247873572	DSHUKUDIXQOWPX-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247892668	FQBGBICISNTCJZ-KXUCPTDWSA-N	242.128	-0.271	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899516	NTSBQHFVPBJLNM-BDAKNGLRSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1ncc(B(O)O)cn1	2248693937	QAVQSRUUZHFGSC-VXNVDRBHSA-N	233.080	-0.609	50	10	BBGE	
C=C[C@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2249067750	PEBDJKPFDHFTLO-GUBZILKMSA-N	239.080	-0.347	50	10	BBGE	
CC[C@H](OCCN1CCOC[C@@H]1C)C(=O)NN	2249105457	CZKLJROBGTVKNH-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249578923	XEAZXBAVXUNRBY-IMICNGSGSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](O)CN(CCC(C)(C)C)C(=O)C(=O)NN	2250622265	ROJQDGQFCLXLMP-QMMMGPOBSA-N	245.323	-0.378	50	10	BBGE	
C[C@H]1CN(C(=O)c2cncc(B(O)O)c2)C[C@@H]1C	2255522555	LKOUOIBVJDUUAN-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]nc1B(O)O	2255551599	ZQSYXXGZVFBVBO-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)NOCC#N)cc(C)c1B(O)O	2255560544	WPSZPAXRGRDYHM-UHFFFAOYSA-N	248.047	-0.832	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)c[nH]1	2255671746	WKQJRGPEXCDWFH-PELKAZGASA-N	248.091	-0.291	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CC=CC[C@H]21	2255674356	LSUXIASBUILBSA-DTWKUNHWSA-N	247.059	-0.250	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC2(CC2)C1	2255734730	GMMOOBURTQVRDN-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(C)ccc1B(O)O	2255734800	HUKDZQJFVUCCQX-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cccc(C)c1B(O)O	2255736246	JPUQDQOFKBOTBF-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2c[nH]nc2B(O)O)CCC1	2255791418	OSYBPDBZUVRVJX-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ncc(B(O)O)cc1C	2257491950	QTZSKAYFGFJDEK-JTQLQIEISA-N	246.075	-0.789	50	10	BBGE	
O=C(Nc1ncccc1O)c1cc(B(O)O)co1	2258136773	NQKFHWRKQMFVSW-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
COc1cc(CNC(=O)C2CC2)ccc1B(O)O	2260827162	APJXHJAKQZRYAP-UHFFFAOYSA-N	249.075	-0.599	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)C1(B(O)O)CC1	2299581584	ALLPMOILEJPGNI-QMMMGPOBSA-N	241.096	-0.218	50	10	BBGE	
CC[C@@H]([C@H]1CCCCO1)N(C)C(=O)C(=O)NN	2300298339	IPZAGASIMVHTLG-DTWKUNHWSA-N	243.307	-0.218	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	2302023120	NDNOESVCLBMHFQ-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CC[C@](C)(B(O)O)C1	2303123640	JOUPFVVWCSUDDL-ONGXEEELSA-N	240.112	-0.454	50	10	BBGE	
COC1CC(Nc2cc(B(O)O)c(F)cn2)C1	2303847122	DDOBFOVXOSRLAR-UHFFFAOYSA-N	240.043	-0.510	50	10	BBGE	
N[C@H]1CC[C@@H]1COc1cc(B(O)O)c(F)cn1	2303848893	DZMWXVOFAAUCRA-MUWHJKNJSA-N	240.043	-0.983	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317150242	CJTVQHPRHSISHO-PRHODGIISA-N	248.091	-0.191	50	10	BBGE	
C[C@H]1CCCCN1C(=O)COCC(=O)NN	58851311	NDWNKPPYEKWIQS-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
O=C1CN(C(=O)CCCCl)CC(=O)N1	85085481	DTJCJHRYRFHJTJ-UHFFFAOYSA-N	218.640	-0.510	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CC(C)(C)O	86275196	VOBAXZIYJIKDQO-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCN(C)CC1	86313338	ZUEULPMNFUFAPN-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1nncn1C	86313911	ARVCADPTTHHYHB-PHDIDXHHSA-N	229.309	-0.078	50	10	BBGE	
CC(C)(Cn1cc([N+](=O)[O-])cn1)C(=O)NN	86598094	HRGRPRJMUHZPNT-UHFFFAOYSA-N	227.224	-0.193	50	10	BBGE	
CN1C(=O)[C@H](C=O)[C@H](Cl)N(C)C1=O	217998811	UJOBPVZMXRSRHQ-RFZPGFLSSA-N	204.613	-0.110	50	10	BBGE	
O=S(=O)(CCCl)NCC(F)(F)CO	228799526	SCYXAEJNFUGNOO-UHFFFAOYSA-N	237.655	-0.228	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CCO)C1	229247845	NFKGSRQRHIUDGA-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCOC[C@H](C)O[C@H](COC)C(=O)NN	233788406	FQVBFVJQUHUHQT-JGVFFNPUSA-N	220.269	-0.567	50	10	BBGE	
N#Cc1nc(C(F)(F)F)ccc1B(O)O	238621169	AWQDFXOZRXMJCH-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]([C@H](C)O)C1	252761704	GSOKMSPPQIXHGX-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
O=C1N[C@@H](C(=O)NNC(=O)C2CC2)CS1	265838077	RIXJJFHGUDNBPZ-RXMQYKEDSA-N	229.261	-0.631	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](OC)C1	299995196	HBTNFJDUUASXIJ-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
O=C(NCCCl)N[C@@H]1CCOC1=O	306288652	NAMYIHIPVXNXTE-RXMQYKEDSA-N	206.629	-0.160	50	10	BBGE	
OC[C@H]1[C@H](CO)[C@H]2C[C@H]1[C@H](O)[C@H]2Cl	307225608	DFIHVBUECDQBBC-JTMCIWCCSA-N	206.669	-0.179	50	10	BBGE	
C[C@@H]1CN(C(=O)NC(=O)CCl)CC(=O)N1	307276356	VSFDQPLMJVQWID-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
CO[C@@]1(C)CCN([C@H](C)CC(=O)NN)C1	308801021	DQRJCSRKSZJZOF-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C)CNNC(=O)[C@H]1COCCN1	381565446	TYRULHKVAOJXAH-DTWKUNHWSA-N	215.297	-0.358	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC(C(N)=O)C1	382075430	IEASIZYTYGFRPS-UHFFFAOYSA-N	248.286	-0.793	50	10	BBGE	
NCCSCc1nc(C(=O)NN)co1	387066723	XNIXPBLHHOPNAB-UHFFFAOYSA-N	216.266	-0.530	50	10	BBGE	
CC(C)(CN1CC(O)(C2CC2)C1)C(=O)NN	394912939	PUSYQAQGLYRVJY-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(CCN1CCO[C@H](CO)C1)C(=O)NN	395619918	UYSYCLSKAXHGNA-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CC(C)(C)[C@@H](OC1COC1)C(=O)NN	395828155	YMNJAYBKYJPJMP-ZETCQYMHSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](Cl)C(=O)c1c(CO)cccc1B(O)O	396043829	WDCGBGGVHOVUCH-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@@H]1CCOC1	398904019	FNHKUPIMCXTLAM-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
CO[C@]1(CO)CCCN(C[C@H](C)C(=O)NN)C1	402834270	IHAMFBMXYLURDB-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
Cc1ccc(NC(=O)c2ccon2)c(B(O)O)c1	404995864	HGIMXMSLFSMFRY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(NC(=O)CN(C)C)c(B(O)O)c1	405002855	LHRVWTQHCYAJMJ-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
CN1N=C=C(NC(=O)NN)[C-]1Br	642861665	OUIDTBHCCRAKDH-UHFFFAOYSA-N	233.049	-0.542	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)[C@@H](C)C(=O)NN	687462408	PRSNTOQLMZSQNG-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
CCN(CCN(C)C)[C@@H](C(=O)NN)C(C)C	688913215	XKAKHXSMAUGOSH-SNVBAGLBSA-N	230.356	-0.116	50	10	BBGE	
Cc1nnc(COc2ccccc2B(O)O)n1C	690825467	CEGPVMSNFHBDRW-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(OCCl)N1CCC(CO)(CO)C1	694658663	PHAOWXZKLIKWMI-UHFFFAOYSA-N	223.656	-0.004	50	10	BBGE	
CCNC(=O)CN(C)[C@H](CC(C)C)C(=O)NN	695061959	PNAHUOFENNQNCQ-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)C[C@@H]1CO	698218297	YXFLPBRMHFQGKM-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
NNC(=O)c1ccccc1Cn1ccnn1	699001337	FMZNUYHTQORUPJ-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCc2ccccc2O1	701932171	PKIKOVBQOLBVRP-JTQLQIEISA-N	235.048	-0.492	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnccn1	704121306	BLPJRLMRXNNJNQ-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
C=CCOCOc1ccc(OC)cc1B(O)O	707385544	ANXNFSAYVGQMHZ-UHFFFAOYSA-N	238.048	-0.086	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](C)[C@@H](CO)C1	708140155	VNCJWZNDNUCPPH-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CO3)nc1	718291034	SXLASAHOEKWOLY-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
C[n+]1[nH]ccc1[S@@+]([O])(=O)NCCCl	725595206	RDBHEZBGEXMDDG-ZDUSSCGKSA-O	224.693	-0.214	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1COCCO1	769008883	MQKNCHLSIRSVRB-BIIVOSGPSA-N	228.248	-0.795	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@H]1CCN(C)[C@@H]1C	925345582	QYTNOLQRNZYFFY-SFYZADRCSA-N	244.295	-0.009	50	10	BBGE	
C[C@@H]1CC(=O)N2N[C@H](Br)N[C@@H]2N1	952958885	UKSBXWRUSJLTKB-PUFIMZNGSA-N	235.085	-0.733	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1	1135817790	CEEQGXQUOBTNSQ-SSDOTTSWSA-N	237.263	-0.913	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1142142003	HYHTYZFCPCPTMN-PHDIDXHHSA-N	223.236	-0.527	50	10	BBGE	
Cc1cnccc1C(=O)NNC(=O)c1ncon1	1439776163	XFETYKKOBKDEKE-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)c1ccnnc1	1451680566	FLMZHFKECNQLPF-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)C1CC1	1540362889	AIADHAOMFAKFCA-QMMMGPOBSA-N	211.265	-0.362	50	10	BBGE	
CCCNC(=O)NNC(=O)Cn1nccc1N	1544221709	WFPIHWCBCKLHMX-UHFFFAOYSA-N	240.267	-0.794	50	10	BBGE	
Cc1nnc(O)c(C(=O)NNc2nc[nH]n2)c1C	1558992166	QAYFWNGYDLHVPO-UHFFFAOYSA-N	249.234	-0.326	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(B(O)O)ccc1F	1584534874	IYDLIUNRQWFUGX-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(C[C@H]1CC(=O)N1)NNc1cccnn1	1597260641	SOPOJTXNSGHKSO-ZCFIWIBFSA-N	221.220	-0.802	50	10	BBGE	
O=C(CO)NNC(=O)c1cncc(F)c1Cl	1654450789	DMYDMFKHEIQSFE-UHFFFAOYSA-N	247.613	-0.373	50	10	BBGE	
O=C(NC(CO)CO)[C@@H]1C[C@@H]1Br	1877359034	CUSYAKGERAODDF-RITPCOANSA-N	238.081	-0.761	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(CO)C1	1883648351	YVDFPGLFYZETEJ-OWOJBTEDSA-N	203.625	-0.241	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1CC(=O)NC1=O	1884194970	BSEFTKBILXIZBR-IMJSIDKUSA-N	249.064	-0.699	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1ncc[nH]1	1884830422	DHWMFKYBECCTLZ-LURJTMIESA-N	233.680	-0.071	50	10	BBGE	
O=C1NC[C@H](CNC(=O)[C@@H]2C[C@@H]2Cl)O1	1893470259	QURGPHOXQGYCBN-JKUQZMGJSA-N	218.640	-0.162	50	10	BBGE	
COC1(CN(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1894917009	LZCJBGPJZQMADP-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC[C@@H](O)C1	1895621999	XCTGNGFKXLBRKI-JQCXWYLXSA-N	225.244	-0.184	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CCCC(=O)NN	1895668728	WTWPJEXHFYMCLE-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CO[C@H](C)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	1895802829	YONAPTWQCRKQAJ-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	1898600594	XCKUVPPVOYDWML-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CCNC1	1901340038	XTMFTONYUWUADK-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
C[C@H]1CCNC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901374176	BSWUMAKCFNBDIW-YUMQZZPRSA-N	249.336	-0.845	50	10	BBGE	
C[C@@H](COC[C@]1(C)COCCO1)C(=O)NN	1901441062	OMASFBSMFYJBBO-WPRPVWTQSA-N	232.280	-0.566	50	10	BBGE	
Cc1scc(C(=O)N2CC[C@H]2C)c1B(O)O	1902869129	VRUNYGXEFYNKMX-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
CC=CCCN=c1cc(B(O)O)c(F)c[nH]1	1903005436	HAFFXBMSWSBVRE-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]2CF)ncc1F	1903009781	HKZCBPDGISIJHZ-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
C[C@@H](CN1C=CS(=O)(=O)C=C1)C(=O)NN	1910220490	DZYFNWJAZOOBOK-ZETCQYMHSA-N	231.277	-0.715	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CCOCC2)C1	1915589866	KFENQNSVTLBYCW-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](SCCNCCN)[C@@H](C)C(=O)NN	1923474326	DKCBPGKCHHHXAY-SFYZADRCSA-N	234.369	-0.718	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1CCCO1	1927917081	INVAPJOSYQZDKJ-XHNCKOQMSA-N	214.265	-0.192	50	10	BBGE	
CSSCCNC(=O)C1(N)COC1	1932886837	WISQEDLCXQWXDU-UHFFFAOYSA-N	222.335	-0.159	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@@H]1COC[C@@H]1O	1933389377	MYEZIBXSERQPTQ-RNJXMRFFSA-N	221.684	-0.015	50	10	BBGE	
COC[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088030	IZMNEFXQUGOTBK-LPEHRKFASA-N	227.308	-0.419	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1936088423	NEKCWKLGFRXUOS-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSc1nccc(O)n1	1936092640	YDKOTUSTJYFVJH-NTSWFWBYSA-N	240.288	-0.100	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSC[C@H]1CO	1936093609	FZZBGONGUVQPOD-IWSPIJDZSA-N	245.348	-0.978	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H](C2CC2)C1	1936531181	DLJMDPZCIAIPTC-SNVBAGLBSA-N	227.308	-0.275	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)O1	1936535310	NYFFRYYCFPTRPM-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1F	1937156554	ZLOQIZSVEGGQEV-PHDIDXHHSA-N	241.213	-0.720	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1940287727	OSKDBYOCONTEMF-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]1CCCO	1941085501	DIECXQBSYVHAPY-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
Cc1noc2ncc(C(=O)NNCCO)cc12	1944214564	WPZODDUZSVOEQL-UHFFFAOYSA-N	236.231	-0.242	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1CC1(C(=O)NN)CC1	1945882745	MLSUSKUGSJUYSR-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(N2CCC2)C1	1946875996	IUBGOSBXTMRTCP-LLVKDONJSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)[C@H]1C	1956965983	NUBBAOKJXYAFFZ-WDSKDSINSA-N	212.083	-0.333	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1958740534	AHYZZZWEKZGMSO-VGMNWLOBSA-N	212.297	-0.999	50	10	BBGE	
C[C@@H]1CC[C@@H](CCNC(=O)C(=O)NN)O1	1958886021	XNWQFEITXLLAJB-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC12COC2	1961512413	FGAOXJXEADUIJZ-MRVPVSSYSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C1	1961692779	WCCNWKZKRSRAHM-SSDOTTSWSA-N	207.042	-0.997	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1n1cnnc1CCl	1962116977	HEEOVSTYXPNMOF-CAHLUQPWSA-N	230.655	-0.168	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2C[C@H]2CN)CC1	1962173449	SFPRWWBLIYVWHI-VHSXEESVSA-N	209.293	-0.068	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@H]1C[C@@H]1C(=O)O	1962403587	QEGDVSHCVLVHQQ-XVMARJQXSA-N	215.253	-0.129	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](Nc2nccnn2)C1	1974979734	QIKAZVITNRLYHG-PHDIDXHHSA-N	248.695	-0.312	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NNC(N)=O)(CO1)C2	1975070371	IXBZRZCEWBKUEF-IUCAKERBSA-N	213.237	-0.355	50	10	BBGE	
CO[C@H]1C[C@H](O[C@@H](C)C(=O)NN)C[C@H]1OC	1979354135	QMOIRRQIEHATRL-XSPKLOCKSA-N	232.280	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCN1CCCCC1	1980757157	RCXFFIFFVXXLHI-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(O)(C(F)F)C1	1981254637	OOVLINYDQOWUBP-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1ccc(B(O)O)cn1	1981415006	ZBKIKTNVNYLYHU-QMMMGPOBSA-N	220.081	-0.004	50	10	BBGE	
C=C1CON(c2nccc(C)c2B(O)O)C1	1981416264	NEGFRTSIUIQIKS-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
COc1nc(OCC(C)C)ncc1B(O)O	1981420865	RDBPXGWJTBWKBJ-UHFFFAOYSA-N	226.041	-0.800	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ccncc1B(O)O	1981431493	ZMOHMMHTSFQTKL-OIBJUYFYSA-N	223.037	-0.825	50	10	BBGE	
Cc1nc(S[C@H]2CCOC2)ncc1B(O)O	1981451238	SRRDMGNLMIBUTH-ZETCQYMHSA-N	240.093	-0.654	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](O)C2)C1	1985357084	LXFLMOGGKOOKQF-BBBLOLIVSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCOC1CC(n2ccnc2)C1	1986221086	JKYQHKJGHBJROU-UHFFFAOYSA-N	224.264	-0.017	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	1986567534	SMTTYWIPRUZDLG-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	1987531298	QQPJHXQIRDLGFA-RGOKHQFPSA-N	224.308	-0.999	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)[C@H]1C	1988001959	QAMOGNNHGVDYAE-BQBZGAKWSA-N	224.044	-0.255	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccc[nH]1	1991329001	UXQUEJFIAKFGLM-QMMMGPOBSA-N	220.037	-0.155	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1c1ncon1	1997753289	XVSXLQLACJVJNG-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
NNC(=O)C(=O)N1Cc2ccc(CO)cc2C1	2002321215	QMRPBFVAPXBUSR-UHFFFAOYSA-N	235.243	-0.989	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@]2(C)CCOC2)n1	2004930253	SDIHLPPDUGLWOY-JTQLQIEISA-N	238.052	-0.977	50	10	BBGE	
CCc1cnn(-c2nccc(C)c2B(O)O)c1	2005009140	IRPJSJAQALYGQR-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CCOC1(CO)CN([C@H](C)[C@H](C)C(=O)NN)C1	2005154490	XKHLAOBCLKHRJP-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cccc(B(O)O)c2=O)C1	2008844502	OJUHVIQYCSIRCY-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
CC(C)(C)C(=O)N1CCN(CC(=O)NN)CC1	2011420531	VVRHDUKMJALZDJ-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2COC[C@@H](C2)C1	2015197944	SKGVJYXHEUOHFH-NAKRPEOUSA-N	239.319	-0.419	50	10	BBGE	
CN(C)CCOC[C@H]1CCC[C@@H](C(=O)NN)O1	2018242343	GVXHOJLLVLKXGO-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCOC1(C(=O)N[C@H]2CCC=C2B(O)O)CC1	2020068360	QNLREHUDWIUAQS-VIFPVBQESA-N	239.080	-0.228	50	10	BBGE	
CCOc1c(C=O)ccc(F)c1B(O)O	2060116651	FYLKTDGDGGROEQ-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
NNC(=O)c1cccc(CN2[C@H]3COC[C@H]2C3)n1	2077820868	PYHCXSBEEKMMMZ-NXEZZACHSA-N	248.286	-0.342	50	10	BBGE	
Cn1nccc1COCc1ccccc1B(O)O	2080329316	HGVQKRXBFXUMIZ-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
CC12CC(C1)N(Cc1nscc1B(O)O)C2	2211137571	IRUQBDNNOXUOLR-UHFFFAOYSA-N	238.121	-0.193	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2CN[C@H](CO)[C@H]2C1	2211150164	CNADQEJMAJSCBE-CVPUBMOQSA-N	244.722	-0.348	50	10	BBGE	
OB(O)c1ccc(=NCCCC2CC2)[nH]c1	2212613171	SSTLSBJAKGGUKY-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	2214798277	HSTFTTIFQDAAAZ-KJPMQGKISA-N	241.335	-0.296	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CC1(C(=O)NN)CCC1	2216533743	GCEZIOCVWIQTIJ-VHSXEESVSA-N	238.335	-0.465	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCCCN1	2217168769	XSQBVDXHFXUWTK-VIFPVBQESA-N	236.080	-0.718	50	10	BBGE	
CN(CC1(C)COC1)c1cc(B(O)O)ccn1	2217171295	AEYIHMIQAYOBSW-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)OC(F)F	2217175942	POAFYXGBAKXDTR-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
C[C@@H](N)C[C@@H](C)Oc1nccc(B(O)O)c1F	2217186777	OYJGEKCNDSCKNV-RNFRBKRXSA-N	242.059	-0.595	50	10	BBGE	
CC[C@@H](Nc1ncccc1B(O)O)C(=O)OC	2217196686	HUMPVMHGNKDJOI-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNc1cc(B(O)O)ccn1	2217203982	CPRQGLIQTLSBNW-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCN=c1ncc(B(O)O)c[nH]1	2217205322	XIDHODGJLLBAFW-BDAKNGLRSA-N	235.096	-0.574	50	10	BBGE	
CC12COC(CNc3cc(B(O)O)ccn3)(C1)C2	2223638647	YDBLMETWIIMCBR-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CCNC[C@@H]21	2223638754	MTEXEMFLHRUOOH-LPEHRKFASA-N	247.107	-0.971	50	10	BBGE	
Cc1cnc(NCC2(C)CC(N)C2)cc1B(O)O	2223647199	UPINTZCVOFZXCM-UHFFFAOYSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1ccc(NC[C@]23COC[C@H](C2)C3)nc1	2223654289	ZHNMEHAXIPHWJR-WVSHTKLVSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC12CCOCC2	2223673767	HOLVBUFBBFJZSQ-SNVBAGLBSA-N	248.091	-0.258	50	10	BBGE	
CC[C@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241339190	YWNKHXHZJHUNOB-SSDOTTSWSA-N	242.728	-0.485	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C(F)F	2241558218	FVVLZDMJYDBTKK-RXMQYKEDSA-N	204.969	-0.532	50	10	BBGE	
CC(C)[C@@]1(NC(=O)NN)CCNC1=O	2242599981	GDDUOWOABKZGKM-QMMMGPOBSA-N	200.242	-0.926	50	10	BBGE	
Cc1cnc([C@@H](C)NC(=O)C#CB(O)O)o1	2243356430	HSFJIBCGVNYHMQ-SSDOTTSWSA-N	222.009	-0.824	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2243363565	IXUMRMRDTBWPID-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243381854	JSHCDFPLGPAZKM-JBDRJPRFSA-N	229.085	-0.628	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)c(C)s1	2243382980	TXDQGMIAYBNJIY-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243396754	QKFABQRIIOJZHX-UYXSQOIJSA-N	225.053	-0.691	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC=C(F)C1	2243399294	YLMZGGSKRNQLJW-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
Cc1nc(C)c(CNC(=O)C#CB(O)O)s1	2243401473	RPKBGKHACBCQBX-UHFFFAOYSA-N	238.077	-0.608	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](F)C[C@@H](F)C1	2243404953	XHBPRGXRMHFFGK-CWKFCGSDSA-N	233.023	-0.242	50	10	BBGE	
O=C(NC[C@@H]1CCCO1)C1CC(B(O)O)C1	2243414057	SJIRJXYWNOOACF-HACHORDNSA-N	227.069	-0.465	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cocc1B(O)O	2244205870	OJMHDJSHZBGSEL-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2247404778	XZMGIIPMVQVMKR-RXKWGBCNSA-N	237.303	-0.083	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)C1(C)CC1	2247721749	HFXKLNPMDBLWNW-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1ccoc1B(O)O	2247738880	VRATWILLPUFVKQ-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
CC[C@@H](O)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247743268	BFIGAUHFCARNJS-VHSXEESVSA-N	239.080	-0.846	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H](CF)C1	2247748009	WIOMSAVGTZBZDG-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
CCN(C(=O)c1occc1B(O)O)C1CCC1	2247751488	YHPGMRJBKXXICF-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1occc1B(O)O	2247753415	GUAAFGGMGKGTNH-QMSLJYSESA-N	235.048	-0.512	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(B(O)O)c(F)c1	2247761032	PZHWAYZCAKNOBP-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CC(C)=CCCNC(=O)c1cc(B(O)O)n[nH]1	2247780360	ARXHDCVRRYQWPV-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CCC1(N(C)C(=O)c2c[nH]nc2B(O)O)CC1	2247786095	VQDWEWRRESDJEE-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCNC1	2247803883	DNEVJFVNNBCPNB-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247807014	GXYVBOHDEJFFQP-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@@H]21	2247810747	ZVZMXMRXXAHQGY-HOTMZDKISA-N	238.096	-0.955	50	10	BBGE	
N[C@@H]1CCCN(C(=O)C2(B(O)O)CCC2)CC1	2247853986	VOFBFNKSWFKBQZ-SECBINFHSA-N	240.112	-0.277	50	10	BBGE	
O=C(Nc1nccs1)c1cncc(B(O)O)c1	2247867072	YCKPCYKTWGGLJP-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247898448	DQIQWUNKQVLYOM-KATARQTJSA-N	240.112	-0.375	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(C1CC1)C1COC1	2247910643	QOFOIAASNXLAAD-UHFFFAOYSA-N	239.080	-0.371	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)cn1	2249301009	FWKFLQZMMBZBLQ-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](COC3COC3)(C1)OC2	2251800772	JVECWUZDUVLQGO-QWRGUYRKSA-N	242.275	-0.669	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2c[nH]nc2c1	2255473328	KTEYOZRDVKXAEQ-UHFFFAOYSA-N	243.031	-0.806	50	10	BBGE	
O=C(N[C@H](CO)c1ccccc1)C1(B(O)O)CC1	2255486539	BWEKPSVEBILAHM-SNVBAGLBSA-N	249.075	-0.157	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1c(F)cccc1B(O)O	2255497732	GTTBQACGTRHQRT-MRVPVSSYSA-N	249.050	-0.046	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)[C@H]1CC1(C)C	2255516381	LEUBOTNATHVXFV-JTQLQIEISA-N	248.091	-0.368	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)c(OC)c1	2255547232	DIKDTSLQKJPOFK-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cn2)[C@H]1C	2255674968	SMGNGHLCUREWND-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255716896	VJDVFCHYVMXICE-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
Cc1cc(C(=O)N2CC=CC2)cc(C)c1B(O)O	2255793506	XWPJRKGLEIYCTQ-UHFFFAOYSA-N	245.087	-0.005	50	10	BBGE	
COC[C@]1(C)C=CCN1c1ccc(B(O)O)cn1	2257128479	QXNPHMVQKRZNIF-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
COC[C@@]1(C)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368826	ZUPKMKPYTFFLND-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@H]1CC[C@]12CCCO2)[C@H]1C[C@H]1B(O)O	2298369435	UPSDQAITGDVIIC-QCBRBAQYSA-N	239.080	-0.323	50	10	BBGE	
CN1CC[C@@H]1COCc1cccc(B(O)O)c1	2299046140	IAINOSIRUXWMJV-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	2299977722	BAZJIERLXWMZKT-WYFGTUCQSA-N	241.335	-0.152	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1[C@H](COC)C(=O)NN	2300046822	GTWBZFWKKWXQGB-FXPVBKGRSA-N	245.323	-0.773	50	10	BBGE	
NC1(COc2ccc(C=O)c(B(O)O)c2)CC1	2301423134	OQEJDGICUIKCGO-UHFFFAOYSA-N	235.048	-0.951	50	10	BBGE	
CC(C)CNC(=O)CN1CC[C@](C)(B(O)O)C1	2303096357	DLKVAOKFTUMJNC-NSHDSACASA-N	242.128	-0.303	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12CCOC[C@@H]1C2	2303104314	JTKZCFSNDCMNHR-ATZCPNFKSA-N	239.080	-0.512	50	10	BBGE	
CCN1CC(CNC(=O)C2CC(B(O)O)C2)C1	2303164317	RCTVSCQRVKVFGA-UHFFFAOYSA-N	240.112	-0.693	50	10	BBGE	
CC[C@@H](O)CN(C)c1cc(B(O)O)c(F)cn1	2303835713	AWDWBMCPEDEYRJ-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](Nc1ncc(B(O)O)cn1)C2	2313124145	VNJDIOZOZFEXCP-IQJOONFLSA-N	249.079	-0.864	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1c1ccc(B(O)O)cc1C#N	2317160313	BWXIWCAUDGIQOO-KWQFWETISA-N	246.075	-0.802	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CC(CN)C1	2317162563	SHTHSDUAALPIMT-UHFFFAOYSA-N	245.091	-0.613	50	10	BBGE	
N[C@@H](CCO)C(Br)[C@@H](N)CCO	44234168	HYVQAPTXHUSOEH-WDSKDSINSA-N	241.129	-0.831	50	10	BBGE	
CNC[C@H]1CCCN([C@@H](C)CC(=O)NN)C1	82471268	ANLOWTIHMCONHQ-VHSXEESVSA-N	228.340	-0.314	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)CBr	82506329	RKULYOPSTSMUCC-SCSAIBSYSA-N	240.053	-0.969	50	10	BBGE	
N=C(N=C(N)N)NNC(=O)c1ccccc1	96336325	LHCOPTOHTPQWDE-UHFFFAOYSA-N	220.236	-0.871	50	10	BBGE	
NNC(=O)c1cccc(OCCn2cncn2)c1	110579145	LHVPVISWOHCQMU-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
CN(C)CCN(C)Cc1ccc(C(=O)NN)o1	111152429	XFHDOGCRDOXUMN-UHFFFAOYSA-N	240.307	-0.124	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C[C@@H](C)C(=O)NN	134790596	DCANXVVLSFBJBD-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CO[Si](OC)(OC)C(CCN)CCN	196823004	MXAWKMFPSQFBMG-UHFFFAOYSA-N	222.361	-0.068	50	10	BBGE	
C[C@@H](NC(=O)CCl)P(=O)(O)O	197002455	WLNZLLXWXUEJOH-VKHMYHEASA-N	201.546	-0.135	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(C)(C)C	232419976	TUHQJYPMIRPBNO-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
CC[C@H](OCCCOCCOC)C(=O)NN	234054556	UQIKVJGQMYQSPM-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
Cn1c(=O)oc2ccc(C(=O)NN)cc21	258956111	FZDWDWXWPOITIW-UHFFFAOYSA-N	207.189	-0.265	50	10	BBGE	
CNC(=O)CSCC(C)(C)C(=O)NN	300770450	COTQPFCWMZLIPP-UHFFFAOYSA-N	219.310	-0.518	50	10	BBGE	
COC(=O)C1=C(C=O)COCOCN1	306411314	NOHKYKHCFYGLRJ-UHFFFAOYSA-N	201.178	-0.836	50	10	BBGE	
O=C1NCN[C@@H]2NC[C@@H](Br)C[C@H]12	307243703	TVEONCXRTVWXFI-ZLUOBGJFSA-N	234.097	-0.638	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(F)C(F)(F)C1	313296700	FFDKTXYSNBLJMO-SCSAIBSYSA-N	229.177	-0.049	50	10	BBGE	
C[C@H](CN(C)C)N=c1[nH]c(CCl)nc(=N)[nH]1	380977182	BQZMGCOZHHWOLS-ZCFIWIBFSA-N	244.730	-0.193	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2	381544518	JOJVBJBGFNZXIY-OOJXKGFFSA-N	226.232	-0.767	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](CO)CC1	382111261	KMSVJDQTUVYFPO-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CN(C)CC[C@H]2C1	383972276	YRWMPJUJAYHYLY-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
N#CCCc1ccc([N+](=O)[O-])cc1B(O)O	396053266	ORIBTIKHIIGFSB-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@@H](C)C1	401550674	YSSYJFIYLJWKBK-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2CCOC2)c(B(O)O)c1	404962220	DFTLOAQNGWTQKP-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
CO[C@H](C)C(=O)NCc1cc(B(O)O)cs1	405009352	VLIKVBZNTBCCGQ-ZCFIWIBFSA-N	243.093	-0.921	50	10	BBGE	
C[C@@H](O)CCNCc1cccc(B(O)O)c1	585031164	SMIHHOMPMMADLM-SECBINFHSA-N	223.081	-0.773	50	10	BBGE	
COCCCOCC(F)(F)C(=O)NN	685956983	OPCXRQJOZFHMOJ-UHFFFAOYSA-N	212.196	-0.335	50	10	BBGE	
O=C(NCB(O)O)OCCC(F)(F)F	686913020	KYTOZMLCXSBXPD-UHFFFAOYSA-N	214.936	-0.323	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23COC[C@H]2C3)CC1	689116997	VNUZTAKPTXSZJL-BXKDBHETSA-N	236.271	-0.100	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nc(C)nn1C	689566331	XQGOJVIONFTEEK-SSDOTTSWSA-N	246.698	-0.006	50	10	BBGE	
CCn1nnnc1CN1CCC(O)(C#N)CC1	697582801	GBHMRGRFZFIZAN-UHFFFAOYSA-N	236.279	-0.457	50	10	BBGE	
N#Cc1cccc(/C=C/C(=O)NCB(O)O)c1	701964984	KIZCMXIGFABBQT-SNAWJCMRSA-N	230.032	-0.300	50	10	BBGE	
CC[C@@H](Oc1ccccc1)C(=O)NCB(O)O	702030463	NQIAFGPEEMHYMH-SNVBAGLBSA-N	237.064	-0.028	50	10	BBGE	
NNC(=O)c1ncc(CN2CCOC2=O)s1	711344389	BCZORVUAEASZIL-UHFFFAOYSA-N	242.260	-0.301	50	10	BBGE	
O=C1CCCN1c1cc(F)ccc1B(O)O	716784721	SKDRXOVXAROSER-UHFFFAOYSA-N	223.012	-0.368	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2COC[C@@H]2C1	718240512	GKQJAPZEGCFRDO-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN(CCC(=O)NN)C1	719668160	QPZHDLKFGIBPDT-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
Cc1cnn(Cc2nsc(C(=O)NN)n2)c1	724347334	HOQOTKNQBNXDIT-UHFFFAOYSA-N	238.276	-0.305	50	10	BBGE	
CC(C)(CO)NC1=C(C#N)[C@H](N)[N]S1	725553429	PGXGJVYCKICPOZ-ZCFIWIBFSA-N	213.286	-0.367	50	10	BBGE	
N#CC1(O)CCN(C2=NC[N]S2)CC1	725635910	GRPKEXCXAHZCPM-UHFFFAOYSA-N	211.270	-0.083	50	10	BBGE	
CCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O	728435609	FTEMGMLGFXBWOH-SSDOTTSWSA-N	235.309	-0.174	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)NC(=O)CCCl	757151176	XFJGWNUKORMURH-RXMQYKEDSA-N	233.655	-0.589	50	10	BBGE	
Cc1cc(C(=O)NNc2nnc(C)n2C)ncn1	1118942632	SMXSRAZMDLDNTO-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1coc(CO)c1	1154456833	IAKURGMNTSNJGH-UHFFFAOYSA-N	242.231	-0.696	50	10	BBGE	
CO[C@@H]1CCN(Cc2cscc2B(O)O)C1	1231947087	IYUASBAJVHYGCQ-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1	1312935297	ZTORIOUNGRNCLV-ZCFIWIBFSA-N	221.220	-0.625	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1ncccn1	1441051487	TZLXBSMEMIZNPT-MRVPVSSYSA-N	220.232	-0.042	50	10	BBGE	
CCOc1cc(C(=O)NNC(C)=O)on1	1539517799	FXSLCAOZDUMRKL-UHFFFAOYSA-N	213.193	-0.146	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NNC(=O)NC	1542262418	KBBDJOBASZEQJV-AATRIKPKSA-N	212.209	-0.609	50	10	BBGE	
Cc1nnc(NNC(=O)c2ncccn2)nc1O	1641111025	XTOIIZNCMLMGIF-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
O=C(NNC(=O)c1n[nH]cc1F)c1ncon1	1653029074	GUYBHFSPJPRQPR-UHFFFAOYSA-N	240.154	-0.993	50	10	BBGE	
CC(C)(C)OC(=O)NC1CN(C(=O)NN)C1	1879958105	NFLYRIZHPPORII-UHFFFAOYSA-N	230.268	-0.221	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883645538	PTHIZCVTXADXGG-BNHYGAARSA-N	207.657	-0.528	50	10	BBGE	
CCCNC(=O)NN(C)S(=O)(=O)CC	1888554933	RVHRWEMXWWHRFS-UHFFFAOYSA-N	223.298	-0.108	50	10	BBGE	
COCC(=O)NN(C)S(=O)(=O)C1CC1	1888572348	UBPWGSRYPRULNQ-UHFFFAOYSA-N	222.266	-0.912	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1COC[C@@H]1F	1888891585	GIOVFYYAEAPJFI-WHFBIAKZSA-N	224.619	-0.212	50	10	BBGE	
C[C@@]1(C(=O)NCC=CB(O)O)C[C@@H]1F	1892918646	BJOJWKXBXHSYOR-POYBYMJQSA-N	201.006	-0.581	50	10	BBGE	
NC(=O)[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl	1893100351	UYRQTNPEVSHECI-PRJMDXOYSA-N	217.700	-0.627	50	10	BBGE	
NCCN(CCN)C(=O)C=CC(=O)Cl	1893409949	CUOOGLLIWVCDIV-UHFFFAOYSA-N	219.672	-0.946	50	10	BBGE	
CC(=O)N(C)C1CN(C[C@H](O)CCl)C1	1893817325	IUEDVEBHVNOUJB-SECBINFHSA-N	220.700	-0.251	50	10	BBGE	
CCO[C@@H]1C[C@@H](OC)CN(CC(=O)NN)C1	1894664318	BMRCWHVLKRHMCP-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@H](F)C1	1900107771	RJSJPUPUTYBFAZ-PRJMDXOYSA-N	231.032	-0.954	50	10	BBGE	
CN(NC(=O)[C@]1(N)CC[C@H]2C[C@H]21)S(C)(=O)=O	1901374262	CNDPNNYZWIDWEG-OOZYFLPDSA-N	247.320	-0.964	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H](O)C1(C)C	1901757811	WDTJSBJCRAECLO-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ncccc1B(O)O	1902365066	LAWRHVIJRFJZRT-ZETCQYMHSA-N	218.021	-0.724	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H](CF)C2)n1	1902640018	YGWOWDHFOYETDS-SSDOTTSWSA-N	244.100	-0.386	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CCCC(=O)NN)[C@H]1C	1903284486	RPQUCDIYHPNBFU-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H]1NC(=O)N([C@H](C)CC(=O)NN)C1=O	1905535116	SJAHUXHTEFXLEA-RNFRBKRXSA-N	242.279	-0.525	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC	1908889560	FMZDHNFDZCXWBP-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
NCC1CN(CC(=O)NC2CC(Cl)C2)C1	1909252305	VDDAJIXMNTWEOA-UHFFFAOYSA-N	231.727	-0.237	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1909960165	GTMAIPCZQOKGPC-UMNHJUIQSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H](CN1CCC(C)(C)C1=O)C(=O)NN	1912216132	YBGWNXZNOJIRMI-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](N=S1(=O)CCCC1)C(=O)NN	1913892390	ACJLIGCSHXFCHW-LURJTMIESA-N	205.283	-0.373	50	10	BBGE	
CCS(=O)(CC)=NCCC(=O)NN	1913894345	NKULOFBVZFDKRT-UHFFFAOYSA-N	207.299	-0.126	50	10	BBGE	
CON1CCN(C[C@@H](O)CCl)CC1	1915551078	KSZHDMDFAZAGFM-QMMMGPOBSA-N	208.689	-0.235	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@H](N)C(=O)O)CC1	1917050826	OZEJEWPQMFXFSP-QMMMGPOBSA-N	223.232	-0.529	50	10	BBGE	
CC(=O)N[C@H](CN1CC=C(C#N)CC1)C(=O)O	1917113130	UPJZQLWMKYKWFX-SNVBAGLBSA-N	237.259	-0.269	50	10	BBGE	
COCCNC(=N)N1CCC(O)(C#N)CC1	1920787251	CZNQFQXWVYHRNI-UHFFFAOYSA-N	226.280	-0.492	50	10	BBGE	
CC1(C)CCCO[C@@H]1CNC(=O)C(=O)NN	1923776529	WNHGYRQHPUDZIB-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
Cc1nc(SC[C@@H]2C[C@H]2C(=O)NN)n[nH]1	1927920415	XHQGGZLRSWTHJC-NTSWFWBYSA-N	227.293	-0.169	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1C1CC1	1927995531	UVKKOCGAVDSKPU-RKDXNWHRSA-N	213.281	-0.524	50	10	BBGE	
CCCOCCOCCOCC(=O)NN	1928177979	AZPAPQOJUIJGSW-UHFFFAOYSA-N	220.269	-0.564	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NS(=O)(=O)C2CC2)C1	1928751952	XSHAKXFFLBSBIO-HTQZYQBOSA-N	238.740	-0.010	50	10	BBGE	
Cc1cc(C(=O)NNCCO)c(C)nn1	1929835983	AVEQGRQPSMUMKV-UHFFFAOYSA-N	210.237	-0.680	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929910193	LFWYTOHBYJNQBY-BWZBUEFSSA-N	219.260	-0.985	50	10	BBGE	
CN(CC(=O)NN)Cc1cnsc1	1930601185	PTODNBQMMZHPAL-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
COCC1(C(=O)NNC(N)=O)CCCC1	1930759545	PXOSCRPGISRZBC-UHFFFAOYSA-N	215.253	-0.107	50	10	BBGE	
COc1ccc(C(=O)NCB(O)O)s1	1931866718	RGDTZAXYWIGIEJ-UHFFFAOYSA-N	215.039	-0.502	50	10	BBGE	
O=C(NNCCO)C12CCCN1CCC2	1934052477	AURFOURKRWUCEC-UHFFFAOYSA-N	213.281	-0.772	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)O1	1936095672	ZRJFCICOBFWDDG-NKWVEPMBSA-N	227.264	-0.157	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)CCO1	1938247367	RWNKTAYALXWRFD-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnnn1C	1939602294	UMAIAVHRHJJTEB-QMMMGPOBSA-N	226.284	-0.985	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCn1cc(B(O)O)cn1	1940044756	MLJVDWQAJHPIJH-WCBMZHEXSA-N	224.069	-0.622	50	10	BBGE	
CCCN(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941094093	KLYJLFOZDCWKSQ-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CCC[C@H]1CC(=O)N(CCOCC(=O)NN)C1	1941780444	POFSDOYLSVVNHJ-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
C[C@]1(OC[C@@H]2CC[C@@H](C(=O)NN)O2)CCOC1	1942466224	TUAYNRBKBAPAEA-QXEWZRGKSA-N	244.291	-0.281	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CC1(C(=O)NN)CC1)C2	1945889956	XUDVILGAZRYQPP-AOOOYVTPSA-N	238.335	-0.465	50	10	BBGE	
COC(C)(C)CC(=O)N1CC[C@H](B(O)O)C1	1951319959	AXPQWKVGZCEIQN-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)C[C@@H](C)N1	1955777897	WGSKZOBWVILXOK-HTQZYQBOSA-N	200.286	-0.145	50	10	BBGE	
C[C@H](N=[S@@](C)(=O)N1CCCC1)C(=O)NN	1960619011	UGTKQHRTAWXVJK-NZFNHWASSA-N	234.325	-0.527	50	10	BBGE	
CC1(F)CN(c2ncccc2B(O)O)C1	1961695490	FEOPCJHMNPFXOM-UHFFFAOYSA-N	210.017	-0.690	50	10	BBGE	
CCOCCOc1ccncc1B(O)O	1961711424	DFKQLXBTSFMPBZ-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]1(C)COC	1974738375	WWOWQHUGAOMWBS-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCCN(C)C	1974982994	IJRAZPDRVCWMMS-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)CC12CCC2	1975982352	LWEOFQJNUMNOJY-HTQZYQBOSA-N	223.276	-0.233	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H](F)C1	1981408667	CSYYNLSLOQMUGJ-SSDOTTSWSA-N	225.032	-0.905	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CCO[C@@H]2C1	1986660557	NWSSQOCDDZBVCX-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1COCC1(F)F	1991600455	ASNHYYJITZVSPL-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC(O)(CO)CC1	1991703657	JMLRDGDGPRZVSI-OWOJBTEDSA-N	247.678	-0.346	50	10	BBGE	
C[C@H]1CCCC[C@H]1C(=O)NCC#CB(O)O	1992153952	UEAFMQPEVDSKGI-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
COC(C)(C)[C@@H]1CCCN1C(=O)C(=O)NN	1994009683	VZFNXUNGRWCLFD-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
COCC1CC(OCCOCC(=O)NN)C1	1995350819	BGWVTEZUZDLUNX-UHFFFAOYSA-N	232.280	-0.566	50	10	BBGE	
CCC[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	2004912819	YOXPTVZUFJICHX-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CCOCCCN(C)c1ncncc1B(O)O	2004916811	QFBWUMBBOVTZDX-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006197102	FMMPDMRUSIYOQR-AJBSGBCOSA-N	241.335	-0.175	50	10	BBGE	
N#CC1CN(Cc2ccc(C(=O)NN)nc2)C1	2007743237	HODWWIFNYJHCRM-UHFFFAOYSA-N	231.259	-0.360	50	10	BBGE	
CC1(O)CC2(CN(CC(C)(C)C(=O)NN)C2)C1	2011899920	IBLJLUPRMUTZKY-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
COC12CC(C1)N(c1ccc(B(O)O)cn1)C2	2013071831	OBMVPJUFNYRVLW-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1OCCOC1(C)C	2013867176	ZZPBSINEAVURKR-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016371035	SJIJGUSVYCLGOQ-NFQPTNBHSA-N	239.319	-0.421	50	10	BBGE	
C[C@H](CN(C)C)OCc1ccccc1B(O)O	2022709800	PNMTZDYDWYPSSK-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
C=C(C)C(=O)NCCc1ccc(B(O)O)cc1	2025201756	ASNWIHGFTLOUEN-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H](N(C)C)C2)n1	2052622824	AUPQILAHZFRQPY-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CC(C)(C)CCn1cnc2c(B(O)O)ncnc21	2055729345	XHWVSCIKHDOAAF-UHFFFAOYSA-N	248.095	-0.058	50	10	BBGE	
CN1CCC[C@H](OCc2cccc(B(O)O)c2)C1	2077339531	STKUIRXIEDELAS-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@]23CCOC3)c1	2077711321	UQEDWIWHQUJDJZ-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
OB(O)c1cscc1Cn1ccnn1	2209703302	QMKHHQOSDZPLPA-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
COC[C@H](C)N(C)Cc1cscc1B(O)O	2211140176	MEONSZHDDXPALI-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCCC[C@@]2(CO)C1	2212372143	IXCPUTGIXQAGEW-KOLCDFICSA-N	227.308	-0.539	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cn2)CC(O)C1	2212604026	LBMYYEHPIINTHC-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1ccc(B(O)O)cn1	2212604675	YPFBFTJDPJLBPT-YUMQZZPRSA-N	224.069	-0.667	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954685	JGNMRYHIVQDRKR-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
COCCN(CCF)C[C@@H]1CC[C@@H]1C(=O)NN	2215771728	JPDBQDMWQLMHAT-UWVGGRQHSA-N	247.314	-0.080	50	10	BBGE	
C[C@H]1CN(C)CCN1CC1(C(=O)NN)CCC1	2216494911	HKABQRFRXDUIFA-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@H]1O	2217172718	LYCREZBRRQOUNX-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
Cc1ncc(CNc2ccc(B(O)O)cn2)[nH]1	2217179546	MHODEYCFQYOYKE-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
NCC1CC(Nc2nccc(B(O)O)c2F)C1	2217181064	XVIFXVXBMWPUNJ-UHFFFAOYSA-N	239.059	-0.950	50	10	BBGE	
CC(C)C[C@@H](N)COc1ncccc1B(O)O	2217182474	BCZGFZUBFRVOET-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
CNCCCCCOc1ccc(B(O)O)cn1	2217188632	RGELAUKBMHMQFF-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
C[C@@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)CN1	2217189114	YCWZJXILVCFUGV-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CCC[C@@H](N)CCOc1cc(B(O)O)ccn1	2217191832	UXYTYEPESLTNSR-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
C[C@@](CN)(Oc1cc(B(O)O)ccn1)C(F)F	2217192263	NCQCBSJBPHANRF-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
CC[C@H](CCCN)Oc1ncc(B(O)O)cn1	2217192968	QUJRKPUKHDXUBM-SECBINFHSA-N	239.084	-0.947	50	10	BBGE	
C[C@@H]1CCC=C[C@@H]1Nc1ncc(B(O)O)cn1	2217197524	NIQSTRARKHTIAB-SCZZXKLOSA-N	233.080	-0.077	50	10	BBGE	
C[C@@H](CCN=c1cc(B(O)O)cc[nH]1)C(F)F	2217198861	HIWLEQMRCYRWHA-ZETCQYMHSA-N	244.050	-0.114	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNc1ncccc1B(O)O	2217204033	DMPYLBJDKVSAOZ-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1CNCC[C@H](Nc2ncccc2B(O)O)C1	2223651109	VARPTOQTSHYMAU-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2N[C@H]3CC[C@H]2C3)c1	2223653282	INYRKHACYLJTOM-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)c1	2223662164	SMWSQOZNVRREOD-NNRMUWNLSA-N	243.071	-0.350	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1c1cc(B(O)O)ccn1	2223672542	GNNQMAKRNDYTPS-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
C=CC(=O)NCc1sccc1B(O)O	2241556009	SVHKVFXJCBYNJD-UHFFFAOYSA-N	211.051	-0.770	50	10	BBGE	
COCCN(C)C(=O)c1ccsc1B(O)O	2243358565	IBKKEHAWNXQSMV-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
C[C@@H](N)CCCNC(=O)C1(B(O)O)CCC1	2243365784	SCPZKVGUMIHKQI-MRVPVSSYSA-N	228.101	-0.373	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2CC(F)(C2)C1	2243396042	GKLGSJPPEVDUCR-VHSUDJNHSA-N	227.044	-0.190	50	10	BBGE	
CN(CCCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243426031	DEDVKOORJGUWPW-DTORHVGOSA-N	229.085	-0.530	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cocc1B(O)O	2244213738	JMTQWKMYZBLQBR-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1CCCO1	2246820751	BCFRLSRSWKYUDK-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
CC1(C)CC(NC(=O)c2ccoc2B(O)O)C1	2247747047	IJOQBMUDFWESGL-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2CC(C2)C1	2247748078	XJTSRRCGDWDATJ-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1NC(=O)C1(B(O)O)CC1	2247750832	OPGDSJAQVXCFJC-RKDXNWHRSA-N	240.112	-0.230	50	10	BBGE	
CCN(C[C@H]1CCCN1)C(=O)C1(B(O)O)CC1	2247754333	FREMAMQOPFMGTF-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CCC2)CC(N)C1	2247756583	NZISULSEBWIZKU-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
C#CCN(CC#N)C(=O)c1sccc1B(O)O	2247771473	VYZOQAKJPITWQD-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
CN(C)[C@]1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247805032	AGRYTAVSOYRKTL-WCABBAIRSA-N	240.112	-0.598	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247810338	WNKSHSRIFQGKJE-YUMQZZPRSA-N	235.052	-0.736	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1N(C)C(=O)C#CB(O)O	2247848642	OLEKLBWRCVVDLD-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CO)C1(B(O)O)CCC1	2247853233	IJAVSDNOVMOEDT-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)[C@H](C)CN1	2247856742	MXBIYYHFYDCIKY-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CC(C)C[C@](C)(O)CNC(=O)C1(B(O)O)CC1	2247873515	CMTWOVUWNZSNPW-JTQLQIEISA-N	243.112	-0.093	50	10	BBGE	
C[C@@](CO)(NC(=O)C1(B(O)O)CCC1)C1CC1	2247879307	SIVBNUQGIGICLS-JTQLQIEISA-N	241.096	-0.339	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CN1)[C@H]1C[C@@H]1B(O)O	2247886559	CSKQWFQMYWKXJS-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CCNC[C@H]1CC2	2247886754	GATCWVDACVOMCV-IMSYWVGJSA-N	238.096	-0.798	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@H]1B(O)O	2247887724	RDZXKQSWOCQAMS-HOTMZDKISA-N	239.080	-0.800	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247896432	GWDIDETWQXQLAG-JLIMGVALSA-N	238.096	-0.846	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCC[C@@H](CO)C1	2247898004	ZJHLCVLJUKEJEM-OPRDCNLKSA-N	241.096	-0.530	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N(C1CC1)C1CC1	2249419192	DMUTXDQUAUSWIC-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
O=C(C[C@@H]1C[C@H]2C[C@H]2C1)NCCC#CB(O)O	2249998327	HLZZUCNQEGNXEB-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
Nc1ccc2c(c1)N(C(=O)C#CB(O)O)CCC2	2255468264	YKLDXNHDBFKMRV-UHFFFAOYSA-N	244.059	-0.437	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2ccncc2C1	2255568971	RHFCRCLOLBDDMU-QWRGUYRKSA-N	246.075	-0.171	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)cn2C)on1	2255718383	YPWOZTDJKYCTLX-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1ccc(NC(=O)c2cocc2B(O)O)cn1	2258130452	HFCKZBXBBPFTOK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)C1=O	2297013027	HJXUMBNPTOAHLD-ZCFIWIBFSA-N	200.242	-0.878	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	2298225033	MCBJJXSHIAFXLK-BBBLOLIVSA-N	234.064	-0.507	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2CCN[C@@H]2C1	2298371131	AHJKKCDFNWZAKL-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298376624	GMKBFNNIKKLDMS-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1[C@@H](COC)C(=O)NN	2300046821	GTWBZFWKKWXQGB-ATZCPNFKSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300193817	YOMUFZZBTKWLCZ-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
CC(=O)N1CCC(N(C)CCC(=O)NN)CC1	2301397029	JWQZIIIRGWVDRD-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN2CC[C@H]1C2	2302020225	MQNXNEQWWRBBJD-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCNC(=O)CC1	2302061504	SJWDWVLPDBRTAZ-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
Cc1ccnc(N(C)C[C@@H]2CCO2)c1B(O)O	2302413173	SBKIHUSNZDPMKW-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1[C@H]2CO)C(=O)NN	2303410919	QVFRAPAPGHXRNN-FYLLDIAZSA-N	241.335	-0.295	50	10	BBGE	
N[C@@H]1CC[C@H](Oc2cc(B(O)O)c(F)cn2)C1	2303853207	SJDGHSABKAYZNW-RQJHMYQMSA-N	240.043	-0.841	50	10	BBGE	
C#CCNC(=O)Nc1cccc(C)c1B(O)O	2307515239	SIXRNFXPTSYWQW-UHFFFAOYSA-N	232.048	-0.570	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCCO1	2317164604	BMPPAAWBGKXBAO-NSHDSACASA-N	246.075	-0.171	50	10	BBGE	
C[C@@H](O)C1(Nc2ccc(C=O)c(B(O)O)c2)CC1	2317348052	HMXRWDHWVWPSGJ-MRVPVSSYSA-N	249.075	-0.496	50	10	BBGE	
C[C@@H](CN1CCC(O)CC1)C(=O)NN	82465943	HCBNEBPNDIPYCJ-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H]1CCO	82466498	NCGFFSJZRYNYGN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)CCSC[C@@H](C)C(=O)NN	82472437	JKAMSYBWSNHXKT-ZCFIWIBFSA-N	220.294	-0.091	50	10	BBGE	
CC(C)(CN1CCCC[C@H]1C(N)=O)C(=O)NN	93728017	YPIVXDSSRJCUCC-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
O=c1cccnn1C[C@@H](O)CBr	156256768	HTYBMZRRUCGTLK-LURJTMIESA-N	233.065	-0.001	50	10	BBGE	
COC[C@H](CCl)Nc1nnnn1C	228899176	GWAOQOPJCPNKLT-YFKPBYRVSA-N	205.649	-0.124	50	10	BBGE	
N#CC(C#N)=C1CNC(=C(C#N)C#N)CN1	238538902	NYMMDTLHQSSHCF-UHFFFAOYSA-N	210.200	-0.218	50	10	BBGE	
O=C/C=C/[C@@H](O)[C@H](O)CBr	238692785	JPSNWESNMHSJOW-IYTQHBPKSA-N	209.039	-0.142	50	10	BBGE	
C=CC(=O)NCCC(=O)NN(C)C(=O)OC	286426977	QUGRXPFLOZGUDV-UHFFFAOYSA-N	229.236	-0.592	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)[C@@H]1CO	299906673	FSPFEALSQFIVPC-ZYUZMQFOSA-N	229.324	-0.296	50	10	BBGE	
OC[C@H]1[C@@H]2C[C@@H]([C@@H](O)[C@@H]2Cl)[C@@H]1CO	306798786	DFIHVBUECDQBBC-XEFZRCJWSA-N	206.669	-0.179	50	10	BBGE	
C[C@@H]1O[C@H](O)[C@H](Br)[C@H](O)[C@@H]1O	307478368	WCCJMIBXGLUWRG-KGJVWPDLSA-N	227.054	-0.791	50	10	BBGE	
COC[C@@H]1CCCCN1[C@@H](COC)C(=O)NN	307763172	HSGFOFBGDIFKIB-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CN2CCC1CC2)C(=O)NN	310111829	RMYNPDHEKKUDDI-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
O=C(O)c1c(B(O)O)cncc1C(F)(F)F	381012336	STCYNPGRUYLBNN-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OC1CC1	381107022	ZAWQARYPIRUCHK-UHFFFAOYSA-N	222.005	-0.394	50	10	BBGE	
C[C@@]1(CO)CCN(CCCC(=O)NN)C1	381406298	WPRTWMWJPKVJLS-SNVBAGLBSA-N	215.297	-0.539	50	10	BBGE	
CCS[C@@H]1CCN([C@H](COC)C(=O)NN)C1	382902875	UGAPTZWFJMUSJN-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1CN(Cc2ccc(C(=O)NN)o2)C[C@@H]1O	388911492	UKOSJVWBCVRUPZ-CBAPKCEASA-N	239.275	-0.304	50	10	BBGE	
CC(=NNC(N)=O)[C@H]1COCC[C@@]1(C)O	394700642	CXFDDOZNGWTUKH-VXNVDRBHSA-N	215.253	-0.182	50	10	BBGE	
CCOC(=O)Cc1ccc2oc(B(O)O)nc2c1	396118036	YDURQZPJJLRCJY-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
Nc1c(B(O)O)sc2ccc(C(=O)O)cc12	396246410	SCXHEUGZGGAJHO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1c(B(O)O)sc2c(O)cccc12	396376811	FDVWRBZMKAIKAL-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CON(C)C(=O)CNC(=O)CCCl	397524151	GMOVJOYOENOCID-UHFFFAOYSA-N	208.645	-0.249	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C(=O)NC)C1	398472519	GXOFQGBJNAHSOD-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
CNC(=O)CCS[C@H](C)[C@@H](C)C(=O)NN	399215647	TZEZDSMIYUHXCA-RNFRBKRXSA-N	233.337	-0.130	50	10	BBGE	
CN(C[C@]12CCC[C@@H]1OCC2)C(=O)C(=O)NN	687520157	VFRPRBNBAZINRW-GZMMTYOYSA-N	241.291	-0.606	50	10	BBGE	
CN1C[C@@H](CNC(=O)CBr)CC1=O	687824579	QRKJRWGNDXLFKA-ZCFIWIBFSA-N	249.108	-0.024	50	10	BBGE	
Cc1[nH]nc(N)c1C(=O)N1CCC(O)(C#N)CC1	692147863	HBRCRAQRBGAGHV-UHFFFAOYSA-N	249.274	-0.209	50	10	BBGE	
CCN([C@@H]1CCN(C)C1)[C@H](COC)C(=O)NN	693435100	FKFFGZSBVIOLMJ-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@H]1C1CC1	698369494	RVCKSTVHUIRMRQ-OUAUKWLOSA-N	241.335	-0.031	50	10	BBGE	
CO[C@@](C)(CCl)CNCc1nnn(C)n1	702531445	IIAPDWDDNCXNNK-QMMMGPOBSA-N	233.703	-0.056	50	10	BBGE	
C[C@H]1COC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	703425007	LSFIJYGDEXHYRX-XSPKLOCKSA-N	225.244	-0.062	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H](O)C[C@H]1C2	710474961	GBSCFROLHOLFDW-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
CN(C)NC(=O)N(C)C1(C(=O)O)CC1	720082892	WSXDERLSYAWCRB-UHFFFAOYSA-N	201.226	-0.278	50	10	BBGE	
COc1nccnc1C=NNC(=O)C(C)(C)O	793040220	DRWLPLMUAIBNIV-UHFFFAOYSA-N	238.247	-0.294	50	10	BBGE	
CCN1CC(CN(C)CCC(=O)NN)C1	822037312	NKCVSNRQTHPCRW-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NCCCOC	900384846	MJLRDCHMNIMOHO-WGAJWPLOSA-N	245.279	-0.710	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)Cc1ccncc1	900931074	DGWDMIFULURESP-PBKGFPTLSA-N	249.270	-0.292	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1OC	935291788	YZFASOBVWZIBPQ-RNFRBKRXSA-N	215.253	-0.286	50	10	BBGE	
CO[C@@H](C(=O)NNc1nc[nH]n1)[C@H]1CCOC1	1118770145	KNIZSECUCKKBIZ-NKWVEPMBSA-N	241.251	-0.701	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=S)NC(C)C	1119526775	HEJWMQSRUUDOSQ-KPJROHGDSA-N	231.321	-0.173	50	10	BBGE	
COC(C)(C)C(=O)NNc1cnnn1C	1261245495	DRIOHKDRWBXKSE-UHFFFAOYSA-N	213.241	-0.317	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1ccccc1O	1457482639	YHFWUELVICVREP-UHFFFAOYSA-N	248.238	-0.197	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1ncc(F)cn1	1466130216	CWKNAZXRNRTDQI-UHFFFAOYSA-N	237.198	-0.201	50	10	BBGE	
CN(NC(=O)[C@H](O)C1CCC1)C(N)=O	1466168696	ZZGQGAMETLDHIA-ZCFIWIBFSA-N	201.226	-0.811	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cccnn2)on1	1537026691	JFRORCMLCNURGP-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(=O)NNC(=O)c1cnn2cc(C)cnc12	1539517615	CKRJCHSPZMXKPY-UHFFFAOYSA-N	233.231	-0.181	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)c1ccc(O)nn1	1611610098	LOKUVTMIYMEMAV-UHFFFAOYSA-N	249.205	-0.105	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCn2ncnc21)C1CC1	1628294068	OKFMLXISBQKKCU-MRVPVSSYSA-N	249.274	-0.287	50	10	BBGE	
O=C([C@@H]1C[C@H]1Br)N1CC(O)C1	1877337343	VXRFQTDDKFODTL-PHDIDXHHSA-N	220.066	-0.027	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)C1COC1	1881741558	FSLQBUNJENWKON-BQBZGAKWSA-N	205.641	-0.245	50	10	BBGE	
NCc1nc(=NC(=O)[C@H]2C[C@H]2Cl)s[nH]1	1893468955	DHBDZOBRPJYXQB-IUYQGCFVSA-N	232.696	-0.016	50	10	BBGE	
CCN(CC(N)=O)C(=O)/C=C/C(=O)Cl	1893496962	ADEJSGDEHUHZRV-ONEGZZNKSA-N	218.640	-0.358	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(C1)OC[C@@H](O)[C@H]2O	1896138508	UHQZSHNVICRGQD-LKEWCRSYSA-N	249.694	-0.663	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)/C=C/C(=O)Cl)C[C@H]1O	1897226941	MZSSRIBSTSIATI-MGYHXRKHSA-N	247.678	-0.038	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@H]2[C@@H]1CO	1897342558	ZMVMASVHYLKCFA-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@]2(CCN([C@H](C)C(=O)NN)C2)CO1	1899561245	FERBADAXDQCWJL-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2nccn2CC1	1900384848	OHMYWOIEVGCAQN-QMMMGPOBSA-N	223.280	-0.880	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cnsc1B(O)O	1900451588	NQRZJXGBPIONDV-IYSWYEEDSA-N	240.093	-0.649	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@H](C)CC(=O)NN	1901223364	CFLXGIGZGDAOSH-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
C=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)C(C)C	1901341431	VGHCRJUAUGPDLE-MRVPVSSYSA-N	249.336	-0.409	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1NC[C@H]1C	1901378149	XIYCRVCRMDXIBT-HTQZYQBOSA-N	249.336	-0.705	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC=C[C@@H]1CO	1901765120	UTJOFAGRQXBXOR-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
OB(O)c1csc(CN2[C@H]3CCC[C@H]2C3)n1	1902638379	ZXYBSDSCJCXMSJ-YUMQZZPRSA-N	238.121	-0.050	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)[C@H](F)C1)C(=O)NN	1902715151	DQFSMIHDPQOVOQ-KHQFGBGNSA-N	233.287	-0.593	50	10	BBGE	
COC[C@]12C[C@](NC(=O)NN)(CO1)C2	1905553689	WEEHXQSLWGEFNI-ZKCHVHJHSA-N	201.226	-0.893	50	10	BBGE	
Cc1cnc(N2CCO[C@@H]3C[C@@H]32)c(B(O)O)c1	1907080531	NYFVIAQQSALVOJ-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
CC1(OCCOCC(=O)NN)CCC1	1907671089	LSRKTOFSDSVAJP-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
CC[S@](C)(=O)=N[C@@H](C)CC(=O)NN	1913889326	VWRYMWUQQJMVBH-IYQDAUBNSA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](CN)S(=O)(=O)N1CC=C(C#N)CC1	1917092270	SZCQISQKNYNXHA-QMMMGPOBSA-N	229.305	-0.181	50	10	BBGE	
C[C@@H](NNC(=O)C(F)(F)F)c1nnnn1C	1923438685	DXCHWNQUAWLELZ-GSVOUGTGSA-N	238.173	-0.546	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926003068	CWEMJAWTGSANLM-PSASIEDQSA-N	242.323	-0.837	50	10	BBGE	
COc1cc(C)ncc1C(=O)NCB(O)O	1927237355	IECWRKVTXVFTKN-UHFFFAOYSA-N	224.025	-0.860	50	10	BBGE	
CC(C)(CCN1CC(CO)C1)C(=O)NN	1929743548	RHMPIPLGMBXRLL-UHFFFAOYSA-N	215.297	-0.683	50	10	BBGE	
CC12CC(C(=O)NNC(N)=S)(CO1)C2	1935035018	VBDSYUIZILZYEZ-UHFFFAOYSA-N	215.278	-0.580	50	10	BBGE	
C[C@@]1(CO)CCN(CC2(C(=O)NN)CC2)C1	1938231743	BZPZDPNCPCYLSH-SNVBAGLBSA-N	227.308	-0.539	50	10	BBGE	
CN(C)NC(=O)N1CCSC[C@H](C(=O)O)C1	1938832506	IBEAXSKJWBMLEG-SSDOTTSWSA-N	247.320	-0.078	50	10	BBGE	
CN(Cc1ncccn1)C[C@H]1C[C@@H]1C(=O)NN	1941084934	ARKJFBIRDMWBNA-BDAKNGLRSA-N	235.291	-0.466	50	10	BBGE	
CON(C)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	1941106440	FPAFZYYCBYLSKY-SECBINFHSA-N	244.339	-0.432	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2OCCO[C@@H]2C1	1944743839	ILIKMPJOYDMAKH-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H](C3CC3)C2)CC1	1945894376	UIQYDRDSAQUZNN-JTQLQIEISA-N	239.319	-0.133	50	10	BBGE	
COc1ncc([C@H](N)[C@@H](O)C#N)c(OC)n1	1953032472	ZSGVBHSFVFZESJ-BQBZGAKWSA-N	224.220	-0.622	50	10	BBGE	
CCOC1(C(=O)NNC(N)=S)CC1	1953814811	XXZVYCSODJWUHF-UHFFFAOYSA-N	203.267	-0.580	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OCC[C@H]2C1=O	1954075874	XADXXVIYUQGNOP-RITPCOANSA-N	203.625	-0.001	50	10	BBGE	
C[C@H](Cl)C(=O)[C@H]1Cn2cnnc2CN1	1955167176	HJXYPWJRLHLPAD-NTSWFWBYSA-N	214.656	-0.054	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1C[C@H](O)C[C@H]1O	1956248621	OXTXWMAQYCVURY-RULNZFCNSA-N	221.684	-0.138	50	10	BBGE	
CCCN(C(=O)NN)[C@@H]1CCNC1=O	1956855204	KLLGIZSDIWYCOD-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
CN([C@H]1CCCNC1=O)S(=O)(=O)CCl	1956862890	RUQROIDPRRJGPC-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
C[C@@H](Cl)CC(=O)N(C)CCS(N)(=O)=O	1957317144	GWLRMKIUVXYGOP-ZCFIWIBFSA-N	242.728	-0.249	50	10	BBGE	
CCCN(OC)c1ccc(B(O)O)cn1	1961692533	UFKPFCSECCRREQ-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCC(=O)NN	1962133111	WSSUEPBHHHMGNV-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@H]2C[C@@H](O)C2)[nH]1	1976105409	GAMYQWCIHLYNFK-HCWXCVPCSA-N	243.698	-0.059	50	10	BBGE	
COC[C@@H]1CCOCCN1[C@H](C)C(=O)NN	1977065853	LZASLAOUBXXPIR-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CCO[C@@H]1C[C@H](OC)CN(CC(=O)NN)C1	1978976440	BMRCWHVLKRHMCP-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]([C@H]1CCCOC1)N(C)C(=O)C(=O)NN	1980240477	TXIGVRUQCQAWQS-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
CN1CCN(CCN[C@@H]2COC[C@H]2Cl)CC1	1980708031	GXPRNXUUSCAKEI-GHMZBOCLSA-N	247.770	-0.170	50	10	BBGE	
Cn1cnnc1Sc1ncccc1B(O)O	1981454060	CLEGXTXCABIDLE-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@H](CCO)C1	1991652748	RAJIRJUZWGBIAI-MRVPVSSYSA-N	247.678	-0.082	50	10	BBGE	
CC(C)C1(C(=O)N[C@H](CB(O)O)C(=O)O)CC1	1998131751	YECGSWZDNRQLNG-SSDOTTSWSA-N	243.068	-0.535	50	10	BBGE	
COC[C@@]1(C)CC(=O)N(CCCC(=O)NN)C1	2003992403	MFAMPSASLBGAAH-NSHDSACASA-N	243.307	-0.359	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1ccncc1B(O)O	2004911697	JZHXSMXDWMVAGH-MYJAWHEDSA-N	232.092	-0.146	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)c1ncccc1B(O)O	2004935145	KTISIHWPHUGPLQ-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](CO)[C@@H](F)C1	2008030219	FILKVYYTYQHKOY-UWVGGRQHSA-N	247.314	-0.201	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2C[C@]2(O)C1	2008872058	ZGBISGCRGTUPPH-CBAPKCEASA-N	249.261	-0.542	50	10	BBGE	
Cc1oc(CN2C[C@H](O)[C@H]2C)cc1C(=O)NN	2011374579	TXINGKJXKMDQMV-LDWIPMOCSA-N	239.275	-0.243	50	10	BBGE	
C[C@@H](CN1CCC2(CC1)CC(O)C2)C(=O)NN	2013328189	IVKLGFLPRYKFRN-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](C2(O)CC2)C1	2013925359	IUXKEHZXIHECEY-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC(C)C(=O)NCCc1ccccc1B(O)O	2014357705	LPZRMTLUWQPEGY-UHFFFAOYSA-N	235.092	-0.319	50	10	BBGE	
C[C@@]1(C(=O)N[C@H]2CCC=C2B(O)O)CCOC1	2020067661	JXXPKYGMGDYTCQ-GXSJLCMTSA-N	239.080	-0.370	50	10	BBGE	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCC#CB(O)O	2021162941	MZBZNZTVZIAUQF-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
CC1(C)CN(CC23CC(C(=O)NN)(CO2)C3)C1	2023851902	CHALIMPYWWVKAP-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
Cc1nc(-n2ccnc2C2CC2)ncc1B(O)O	2052602114	GBAMYROVKBCYMC-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]2C2CC2)n1	2052619215	CDZJEAVZCJKZBT-LLVKDONJSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCCC[C@@H]32)n1	2052619619	HUCYDDJCMVIZHL-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
O=c1cc(O)ccn1Cc1ccccc1B(O)O	2054656441	XNYJUIPBWWFTMK-UHFFFAOYSA-N	245.043	-0.718	50	10	BBGE	
CCc1cc(B(O)O)cc(OC)c1C#N	2060263765	WGOZJLOJHUKEHA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2COCC[C@H]21	2073061220	NLOABXNWHKPSEM-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
Cn1cnc(COCc2ccccc2B(O)O)c1	2080330648	VLLHBAGWYXJADH-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C#C[C@@H]1COCCN1C[C@H](O)CCl	2209322036	INKDFPUCZHKDHY-RKDXNWHRSA-N	203.669	-0.080	50	10	BBGE	
OB(O)c1cscc1CN1O[C@H]2C=C[C@H]1C2	2211136955	YJNISKQYZMQVEL-IUCAKERBSA-N	237.089	-0.128	50	10	BBGE	
CC(C)(N)CNc1nccc(B(O)O)c1F	2212604114	MKOARXZSKRYXIV-UHFFFAOYSA-N	227.048	-0.950	50	10	BBGE	
CCNC[C@H](C)Oc1ccc(B(O)O)cn1	2212608638	KJIRNMGGDDRSMK-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1ccc(B(O)O)cn1	2212612853	PMRKVNSOLNNGBF-JGVFFNPUSA-N	224.069	-0.810	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C=CCC2)[nH]c1	2212615850	VSZBNRLODFQIOI-VIFPVBQESA-N	218.065	-0.439	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1OC[C@@H]2CCC[C@H]21	2213157028	RZJZFPZDRURTIE-IVZWLZJFSA-N	239.080	-0.514	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2CC[C@H]2C(=O)NN)cn1	2215774636	XSKVXPDBQQRYCU-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CC1(C(=O)NN)CCC1	2216487155	GCEZIOCVWIQTIJ-UWVGGRQHSA-N	238.335	-0.465	50	10	BBGE	
CN1CC2(CCN2CCC(F)(F)C(=O)NN)C1	2216595937	UXVQCLDYOOQKQM-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
C=CCC[C@@H](N)COc1ncccc1B(O)O	2217167008	QQMILJHLELIRDK-SECBINFHSA-N	236.080	-0.566	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1Nc1ccc(B(O)O)cn1	2217172999	NVZPSPJDAVSFJW-PSASIEDQSA-N	235.096	-0.877	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCN2C)cc1B(O)O	2217185307	VHHOBJYWAUHVEI-VIFPVBQESA-N	235.096	-0.814	50	10	BBGE	
CC[C@H](CCCN)Oc1cc(B(O)O)ccn1	2217189784	IYMPGBLCESMYQS-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
CC1(C)C[C@H](Nc2cc(B(O)O)ccn2)[C@@H]1O	2217195155	GGVMZNGULCNIKP-WPRPVWTQSA-N	236.080	-0.667	50	10	BBGE	
CCN1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217196523	GXXCVENTFHRCST-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
C[C@H](CCCO)CNc1cc(B(O)O)ccn1	2217204513	KUFDMHKHXVDATJ-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
C[C@H]1C[C@@H]1CCCn1cc(B(O)O)cnc1=O	2217408678	IUXRYLHKNFGRQV-IUCAKERBSA-N	236.080	-0.641	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)CC12CCCCC2	2217484510	UEKHQEMWAHPCIZ-MRVPVSSYSA-N	241.291	-0.728	50	10	BBGE	
Cc1nc(CN(C)c2cc(B(O)O)ccn2)co1	2223668195	VOERUTAHSHUMJY-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1ccnc(N2CCOCC3(CC3)C2)c1	2223668954	DKZUGNQXXVTPOG-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
C[C@@H]1[C@H](O)CN1S(=O)(=O)N1CC(Cl)C1	2241348115	MEXIFXSFQGHEIG-IYSWYEEDSA-N	240.712	-0.781	50	10	BBGE	
CC(C)CONC(=O)[C@H]1C[C@H]1B(O)O	2241479025	PXYGUYXABRXSGC-NKWVEPMBSA-N	201.031	-0.447	50	10	BBGE	
CCSCCNC(=O)[C@H]1C[C@H]1B(O)O	2241481514	WALBSGSBOBLHLO-NKWVEPMBSA-N	217.099	-0.281	50	10	BBGE	
C[C@H](COC(F)F)OCCOCC(=O)NN	2242780760	ARNMPEHNFKFNPH-ZCFIWIBFSA-N	242.222	-0.363	50	10	BBGE	
O=C(NCCOC(F)F)C1(B(O)O)CCC1	2243347182	IVBBSQHTDBSLRA-UHFFFAOYSA-N	237.011	-0.261	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)C1(B(O)O)CC1	2243363859	NLSRTAPLDDMXIH-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1CSC1	2243365481	NDPQVLRPBOOUOT-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243391376	KAUQQJVNLBRTGJ-KZVJFYERSA-N	229.085	-0.485	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CC[C@@H]1N	2243404826	VDZFXBLXZAHILO-UYXSQOIJSA-N	226.085	-0.813	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](F)C[C@@H](F)C1	2243404955	XHBPRGXRMHFFGK-XUTVFYLZSA-N	233.023	-0.242	50	10	BBGE	
O=C(N1C[C@H]2CCO[C@H]2C1)C1(B(O)O)CC1	2243409293	FPPNJPLKKJKZSR-SFYZADRCSA-N	225.053	-0.759	50	10	BBGE	
NC[C@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243414392	ZWTFAYPBRZEDIO-KHONBHQKSA-N	226.085	-0.907	50	10	BBGE	
CNC[C@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414762	HTVZVKLTAWIQME-CIUDSAMLSA-N	228.101	-0.789	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1cc(B(O)O)co1	2244221270	LEUKGECWEDLPLH-VDTYLAMSSA-N	227.000	-0.953	50	10	BBGE	
CC(C)C1(C(=O)NCCC#CB(O)O)CC1	2244548078	KASJYGDOKZWPOF-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
COC[C@@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2247739998	DUDGHBAWWZUHGV-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1	2247740353	JGQAUZWRPLZVEP-LPEHRKFASA-N	237.064	-0.924	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC[C@@H]2C1	2247741022	STPWQELMKVOPAK-HTQZYQBOSA-N	234.064	-0.824	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1occc1B(O)O	2247745843	PURKCUMQWYVGFE-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@H]1C	2247752209	KSEYHHKNDKPHTB-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC[C@@H](C)F	2247761921	YGURTNTZIDXYPJ-SSDOTTSWSA-N	242.059	-0.724	50	10	BBGE	
N[C@H]1CCC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247799220	AYUOOLSHHJPLGP-NFTFJBJSSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247846330	DSMKDDAPMHRLEH-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247846695	KVOOJILRUCEINT-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
C=C(C)CONC(=O)c1cc(B(O)O)oc1C	2247868439	UGBFKCNINPHMOO-UHFFFAOYSA-N	239.036	-0.495	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N(O)C(C)C	2247870912	SCCFJPUHFHCOKX-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
Cc1cc(C(=O)NCCC#N)ccc1B(O)O	2247874196	KFWZCJZFDVCDSP-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2247877368	GYMLARXIIWEPGL-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@H]1COC2	2247887032	JJFSKDNGRZFOLF-QEYWKRMJSA-N	239.080	-0.371	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]2C[C@@H]21	2247887760	RKJAZZNWQRVKHR-XKNYDFJKSA-N	238.096	-0.846	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247891843	OUBCZINMOXGPKD-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247898121	ANTVNPVGXKTJSV-OPRDCNLKSA-N	243.112	-0.020	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC(F)(CO)CC1	2247898641	GLHIOLHVUHAWCO-JGVFFNPUSA-N	245.059	-0.828	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1C	2248586181	WZSOIKCSGNNSKW-NXEZZACHSA-N	236.080	-0.187	50	10	BBGE	
O=C(NO)c1ccc(B(O)O)c(C(F)(F)F)c1	2248587248	NNQOKWSIXYXKHB-UHFFFAOYSA-N	248.953	-0.496	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ncc(B(O)O)cc1C	2248968731	RCVPIQUGGAPRGU-QMMMGPOBSA-N	234.064	-0.626	50	10	BBGE	
Cc1cccc(C(=O)NCC#CB(O)O)c1N	2249919510	BYFFXQOSAZEQQD-UHFFFAOYSA-N	232.048	-0.678	50	10	BBGE	
COC[C@@H](OC1(C2CCC2)COC1)C(=O)NN	2250783370	RVQMJEYICOKVHO-SECBINFHSA-N	244.291	-0.423	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C(=O)C[C@@H]2C)c1	2255512563	BPAGSVDJWBFEQI-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255554820	ROPWCHBSUIGUJR-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)C1CC(B(O)O)C1	2255579469	RUMIZDFBWFZZEE-BJOJAGDFSA-N	247.103	-0.134	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1=CCCC1	2255734662	FHYKDGLKOIPDJS-UHFFFAOYSA-N	248.091	-0.455	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1occc1B(O)O	2255744780	KVPUMBCKMOACHZ-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
C=CC1(CNC(=O)c2c[nH]nc2B(O)O)CCC1	2255790707	BWXNLSVGTUGQIG-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)Nc1ccccc1B(O)O	2255913130	ZZLPFIAZKJWSFK-SECBINFHSA-N	246.075	-0.148	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1cc(B(O)O)co1	2258127322	IZKZXKCLQLXGDF-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cocc3B(O)O)C[C@@H]21	2258151098	KHWHHROIRRZDHB-IWSPIJDZSA-N	249.075	-0.313	50	10	BBGE	
N#Cc1cc2c(n(CCC(=O)NN)c1=O)CCC2	2263232941	VGXJRLDUKOMOKL-UHFFFAOYSA-N	246.270	-0.411	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)[C@@H](C2CC2)C1	2298368546	KVEVQGPMWJARFW-SGIHWFKDSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H]1C[C@@]2(CCN(C(=O)C#CB(O)O)C2)CO1	2299101015	CPMNPOMGHHPBAX-MWLCHTKSSA-N	237.064	-0.971	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)CC1COC1	2300365525	ZUUGDMLGPMQWQT-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](COC[C@@H]1OCCOC1(C)C)C(=O)NN	2301612833	ABRVYYHVCGGBQA-IUCAKERBSA-N	246.307	-0.177	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCO[C@H](CO)C1	2302048966	CBJYBWFSFVYNTF-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2CC[C@@H](O)C2)C1	2303152668	ZGFXBCCGMWLCQP-SCZZXKLOSA-N	242.084	-0.888	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCC[C@H]2O)ncc1F	2303847675	MNWWGADSZULUEE-DTWKUNHWSA-N	240.043	-0.774	50	10	BBGE	
C=CC[C@@H](Oc1cc(B(O)O)ccn1)[C@H]1CCN1	2314243596	OQBNTAIVAGKUAT-GHMZBOCLSA-N	248.091	-0.553	50	10	BBGE	
C#CCCOC(=O)NCc1ccccc1B(O)O	2316373776	NAIKPDOEFBKOJR-UHFFFAOYSA-N	247.059	-0.384	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc(F)c(F)c1	49575893	PLRUIELXGJVEGX-UHFFFAOYSA-N	229.186	-0.429	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)C(=O)NN)[C@@H]1C	83050232	NJEPKPGGAUCTHY-PRJMDXOYSA-N	213.281	-0.083	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111397442	UCZNMMTYEPLWJI-FXPVBKGRSA-N	241.335	-0.011	50	10	BBGE	
NCCCC[C@@H](NC(=O)CCl)C(=O)O	137685648	WDRQJSZKRHHRHO-ZCFIWIBFSA-N	222.672	-0.076	50	10	BBGE	
Nc1cc(B(O)O)cnc1C(F)(F)F	205139234	QVVMJLNXKSRQOU-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CN1C(=O)NC(=O)[C@H](Br)[C@@H]1N	211308088	RCSKDVAJIKZDSY-PWNYCUMCSA-N	222.042	-0.784	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(OC)CC1	232419168	BLSLZCMOCSEXHE-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	232419358	IMYNDSVDYLZWIB-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](Sc1nccc(O)n1)C(=O)NN	232421310	FZRCIHNLWVJTDS-YFKPBYRVSA-N	244.276	-0.721	50	10	BBGE	
COC(=O)[C@H](Cl)CNCCN(C)C	234570804	XAEPQNQQTYMFLM-SSDOTTSWSA-N	208.689	-0.082	50	10	BBGE	
O=C=NC(=O)[C@@H]1CCCCS1(=O)=O	236413195	GOFHGUGEUZXZQW-LURJTMIESA-N	203.219	-0.184	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H](N)CC(=O)O	238183272	JAXWZVYQIOLHSJ-RXMQYKEDSA-N	247.251	-0.656	50	10	BBGE	
CCSCC[C@H](NC(C)=O)C(=O)NN	238283698	CGYSVSCYKIOICZ-ZETCQYMHSA-N	219.310	-0.376	50	10	BBGE	
Cc1cnc(N2CCCC2)c(B(O)O)c1	238482916	WUMQOBPCIIAZQT-UHFFFAOYSA-N	206.054	-0.330	50	10	BBGE	
[C-]#[N+][C@@H]1C[C@@H](n2ccc(O)nc2=O)O[C@H]1CO	253684180	KEPYLRFTUFPYBU-FJXKBIBVSA-N	237.215	-0.483	50	10	BBGE	
CN1CCC([C@H](N)CC(=O)NN)CC1	258952422	BEWKTLQZCACJKW-MRVPVSSYSA-N	200.286	-0.965	50	10	BBGE	
CC(=O)C1(C(=O)NNC(=O)[C@H]2CCCO2)CC1	294042814	VENIUALATPOYRM-MRVPVSSYSA-N	240.259	-0.318	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCC[C@H]1CO	300018628	GTGYJGDTCAYQBR-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN(C)C(=O)CSCCC(=O)NN	300839787	LZJYEICVQOPASP-UHFFFAOYSA-N	205.283	-0.812	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](CO)CC1	382169239	VTZRQRDAHAHHPQ-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)NN=C1CCCC1=NNC(N)=O	394701626	FIJWLGNWOYURPA-UHFFFAOYSA-N	212.213	-0.781	50	10	BBGE	
N#C/C(C(N)=O)=C1\N=CNc2[nH]cnc21	394720123	DKVUQZWCOIZJIT-SNAWJCMRSA-N	202.177	-0.417	50	10	BBGE	
CCN(CCC(C)(C)C(=O)NN)CC(=O)NC	395604860	FIUVXIIKAULXCJ-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
O=C(CCl)Cc1cccc(B(O)O)c1CO	396053942	IJSRAMYOCYYGDH-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)cc([N+](=O)[O-])c1	396060103	ZDCLIBPHLPMKLW-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
O=C(O)c1csc2c(O)ccc(B(O)O)c12	396377412	FYETWLYWIOQAOS-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CON(C)C(=O)CNS(=O)(=O)CCCl	397526227	RQMLGTYJQZAZHG-UHFFFAOYSA-N	244.700	-0.836	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](C(F)F)CC1	686836894	NVDKJOWDIYCGDO-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CN(C)C(=O)N1CCC[C@@H](C(=O)N(C)N)C1	704705140	FITSTCCWYKAAHA-MRVPVSSYSA-N	228.296	-0.288	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H]2C[C@@H]21	706928068	KIEKJSSTZACTDK-SKDRFNHKSA-N	217.077	-0.039	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1cnccn1	707001988	HOHGJCRGCXNJEJ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(n2ccnc2)C1	707384641	JKUWPJLUQTXBRI-MRVPVSSYSA-N	223.280	-0.492	50	10	BBGE	
CN(Cc1nnnn1C)C[C@@H](Cl)C(=O)O	707608349	GBCXQJSZAKCQRE-RXMQYKEDSA-N	233.659	-0.666	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)CC1CC1	708571643	GJIQDPDXTLXGJT-SNVBAGLBSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1N(C)CC(=O)NN	710954884	SMCLWWUNWXKVOG-RKDXNWHRSA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)c1ncc(CN2CC[C@H](O)C2)s1	711157345	IDJDZMKUVUPTQO-LURJTMIESA-N	242.304	-0.687	50	10	BBGE	
COCn1ncc2ccc(B(O)O)cc21	716783273	AAPFEYSTHXZPJQ-UHFFFAOYSA-N	206.010	-0.680	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@@H]1CCCS1	743748933	RLGLGPHUGCBDQB-ZETCQYMHSA-N	247.320	-0.141	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CC1	750554404	MKVYRKZNJQVCDC-VIFPVBQESA-N	239.275	-0.445	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCl)CC(=O)N1C	831397977	GOSHFCOPHMOOQN-LURJTMIESA-N	240.712	-0.325	50	10	BBGE	
CCO[C@@H]1COCC[C@H]1CC(=O)NN	870852748	MOMZSVWFVRFWRL-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNc2nc[nH]n2)C1	897777579	PVMNNZBNEPRMHB-PHDIDXHHSA-N	211.225	-0.327	50	10	BBGE	
CCCn1cc(C(=O)NN)c(=O)n(CC)c1=O	1088742578	YTLNTSHECOLCSX-UHFFFAOYSA-N	240.263	-0.957	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(C#N)nc1	1251881736	BQNOPLWUSMXZFC-UHFFFAOYSA-N	233.231	-0.083	50	10	BBGE	
CC(=O)NNC(=O)/C=C/c1ccc(C(N)=O)o1	1290392005	OZJQGPIOLWZFNV-HWKANZROSA-N	237.215	-0.441	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cnccn2)c1=O	1306689054	XVWILHMDAZMYDC-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1ccncn1	1449875344	OFSJFTGVJUTBHW-SKRYNEFJSA-N	208.221	-0.143	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)C1CCCC1	1539597718	FXISHQQTUQQSFV-UHFFFAOYSA-N	212.249	-0.128	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccccn1	1618110178	FCVYQGVCQJLKCY-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc2[nH]c(O)nc12	1628978419	DCFMCTMASQHMGW-UHFFFAOYSA-N	235.203	-0.556	50	10	BBGE	
COCC1(C(=O)NNc2nc[nH]n2)CC1	1638766855	HHLVRNKOWABXPV-UHFFFAOYSA-N	211.225	-0.326	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1CC[C@H]1O	1881586073	IDAHDHGXCHXWNU-PHDIDXHHSA-N	213.686	-0.127	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H]1CO	1883647323	LBETXQDYCIINMK-IPWVHJGXSA-N	203.625	-0.099	50	10	BBGE	
O=C(N[C@@H]1CNCC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893460206	CEANUULWJKDVKA-HSNKUXOKSA-N	218.684	-0.547	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1CS(=O)(=O)C1	1893498837	ZATAXMXZHNCGFK-OWOJBTEDSA-N	237.664	-0.779	50	10	BBGE	
CCn1ccn([C@H](C)CC(=O)NN)c1=O	1893845746	RUTYUDFVHHBDHS-SSDOTTSWSA-N	212.253	-0.389	50	10	BBGE	
C#CCCOC(=O)N[C@@H]1CCC=C1B(O)O	1900784475	HLLWUTQWSUSHIY-SECBINFHSA-N	223.037	-0.163	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2CCO2)c1	1901307318	OIXYODASJXACOM-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
C[C@H](C(=O)N(C)C)N1CC[C@](C)(B(O)O)C1	1902541533	PPSJCTMZVVUOHI-SCZZXKLOSA-N	228.101	-0.598	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@H]2C1=O)C(=O)NN	1902728887	IFJVMYSUDQHBKI-DKCNOQQISA-N	225.292	-0.129	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@H](C)CCC(=O)NN	1907703682	DSVGJOZSVFWZSK-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@H](C)C(=O)NN	1913434781	MYQKCLJIUDKPRX-ZETCQYMHSA-N	237.325	-0.718	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C)CCC(=O)NN	1914252836	ALLMHFSGUQTRDR-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C1(C)C	1914330078	HBNOYOVFHFANKS-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1(CO)CC1	1915530557	CVZNWUNBXFGPGR-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@H]1COC(C)(C)C1	1915598681	RKICESLMRAXDIF-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NNC(=O)C(F)(F)F	1923429982	RMOFTNKCDFHAHD-VKHMYHEASA-N	241.169	-0.779	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CSC1=O	1927911814	RPVKZFIPGARMNS-CRCLSJGQSA-N	229.261	-0.692	50	10	BBGE	
CCOC(=O)CSC[C@H]1C[C@H]1C(=O)NN	1927918384	RTFHTLPNIHAAFZ-RNFRBKRXSA-N	232.305	-0.091	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(CO)C1	1929743098	MBOVQEPPGZINBD-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3OCC[C@H]32)CC(=O)O1	1931660749	IKNOSPLRHQHOOX-RNJXMRFFSA-N	211.217	-0.451	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(C)CCCN1C	1934064343	BQGSUTWHMWLNDU-SNVBAGLBSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(CO)CC1	1936089068	SVRREOPNNOVUMG-VHSXEESVSA-N	227.308	-0.683	50	10	BBGE	
CCN(CCOCC(=O)NN)CC(F)(F)F	1936536413	RDWBOZMNOLPVDE-UHFFFAOYSA-N	243.229	-0.123	50	10	BBGE	
CC[C@@H](C)N(CCO)CC1(C(=O)NN)CC1	1938249236	RNMNQXLGNVXIIZ-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)CCOCC(=O)NN	1947073352	WVDVPEZROCODKJ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CC(C)[C@@H](OC[C@@H]1COCCCO1)C(=O)NN	1948414561	AQWUUSFYGCPFGR-VHSXEESVSA-N	246.307	-0.177	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1c(O)cc(O)cc1O	1952837192	UOEIUVMMBCNUPZ-APPZFPTMSA-N	210.189	-0.312	50	10	BBGE	
Cc1nnc(O)n(C[C@@H](Cl)C#N)c1=O	1957345653	GMRRDOJTDHHZBQ-YFKPBYRVSA-N	214.612	-0.217	50	10	BBGE	
Cc1cnccc1CN(C)CC(=O)NN	1957727570	ZKSPIDXNRRWSQU-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
CN1CC[C@H]2CCN(CC(=O)NN)C[C@H]21	1958179085	VNTWVJVSQRDQSM-DTWKUNHWSA-N	212.297	-0.998	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(CCF)C1	1958352531	JTMMGKUXPGVIAB-MRVPVSSYSA-N	219.260	-0.717	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21)C(=O)NN	1958447104	YIGUMNAETGEDPE-ZJDVBMNYSA-N	209.293	-0.047	50	10	BBGE	
OB(O)c1cncnc1Sc1ncco1	1961710461	PQHVMCKNQJTXHW-UHFFFAOYSA-N	223.022	-0.704	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)N1CCC(B(O)O)CC1	1971371971	AYVYWYICKIUZEF-SCZZXKLOSA-N	241.096	-0.123	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC=C[C@H]1CCl	1975267487	CEZBFSLLZFNGOK-LURJTMIESA-N	248.695	-0.027	50	10	BBGE	
COCC[C@@H](COC)N(C)[C@@H](C)C(=O)NN	1979244158	RSGHBTDUNCQZSJ-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
COC1(CN(C)C[C@H]2C[C@H]2C(=O)NN)CC1	1979960921	LZCJBGPJZQMADP-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCSC1	1980768109	LZTUGTNOSSFZAQ-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ncncc2B(O)O)C1	1981414670	VAYHMWFEVGHNPN-JGVFFNPUSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2CC[C@H]2C1	1981421637	CGGXPXRPUWGJMS-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
Cc1cnn(-c2ncc(B(O)O)cc2C)c1	1981454460	KBNZNILKJKUYIY-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CCC1CN(c2ncc(B(O)O)cc2C)C1	1981469720	XCDWAMKCVJJYTA-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)[C@@H]1C	1981472677	SPIOUXLGDZAVSN-RNFRBKRXSA-N	224.044	-0.255	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	1981532439	GMBQUURJUHDRGU-KATARQTJSA-N	227.308	-0.136	50	10	BBGE	
NN=c1cnc(C(=O)NC2CC(Cl)C2)c[nH]1	1983212189	WJUCBQRAZLWVCD-UHFFFAOYSA-N	241.682	-0.316	50	10	BBGE	
COCCOCCCN(C)CCC(=O)NN	1987016876	HVKBUFARXZRJFQ-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
CCCN(CCC#N)CC(=O)NNC(C)=O	1990775039	QMPCHLQDLFPBCU-UHFFFAOYSA-N	226.280	-0.221	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@]12CC2(F)F	1991326459	GYQBJDQMNGHJNP-POYBYMJQSA-N	231.007	-0.284	50	10	BBGE	
NCCn1c(=O)ccn(C[C@@H]2C[C@H]2Cl)c1=O	1991438893	ORHANBXSUDHQFC-JGVFFNPUSA-N	243.694	-0.404	50	10	BBGE	
O=C(CC[C@@H]1CCCO1)NCC#CB(O)O	1992144544	AVTOMBLFRXBLPA-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NCC=CB(O)O)O1	1993507922	UMTKCWYWAWSAEH-IUCAKERBSA-N	227.069	-0.372	50	10	BBGE	
CC(C)OC[C@@H]1CCCN(C(=O)C(=O)NN)C1	2003792841	NZIHBLWYTJSOLE-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CN(C)c1ncncc1B(O)O	2004915781	DBIOAIRFYUCSHY-BRPSZJMVSA-N	235.096	-0.505	50	10	BBGE	
Cc1cc(N(C)[C@H]2CCOC2)ncc1B(O)O	2004918260	JLCXKMJQIPBEFT-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CC[C@H](COC)Oc1ncc(B(O)O)c(C)n1	2004933309	FXOHDWRFZYAVAG-MRVPVSSYSA-N	240.068	-0.731	50	10	BBGE	
CCOCCN(CC)c1ncccc1B(O)O	2004934838	IVWAADHVBWBJTH-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
OB(O)c1ccc(-n2ccnc2C2CC2)nc1	2005007600	JWLHHIXJZFJGKS-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2008045281	HPBPVZUZCHHHBD-GWOFURMSSA-N	241.335	-0.154	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1C[C@@H]2C[C@H]2C1	2008840431	MGHDRXWUSCOMLX-NXEZZACHSA-N	233.076	-0.426	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(O)(C2CC2)C1	2008865659	DJVPLFXIOMDGAR-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2CCCC(=O)NN	2014221694	ATPMXUXUQBQQLG-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H](CN(C)c1ccncc1B(O)O)OC	2014868132	WNEHNFAGOICJCQ-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccccn1	2020069219	YRGJWLZNQCPSFQ-SECBINFHSA-N	232.048	-0.088	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H]2[C@@H]1CO)C(=O)NN	2021741360	VHEKBAKRSUFZFP-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2cc(O)nnc2C1	2025566802	DEPUTPSCZXMVAL-MRVPVSSYSA-N	237.263	-0.734	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@H]1C[C@H]1C(=O)NN)C2	2029479351	MJOGUFYJJZZXML-MWLCHTKSSA-N	249.318	-0.367	50	10	BBGE	
Cc1cc(C)n2ncc(C(=O)NNCCO)c2n1	2031836010	KNIUQPQESQSDQV-UHFFFAOYSA-N	249.274	-0.427	50	10	BBGE	
Cn1cc(CCOc2ccccc2B(O)O)nn1	2045898469	KYQDLRMISVHPOQ-UHFFFAOYSA-N	247.063	-0.884	50	10	BBGE	
CCOc1c(C=O)cc(B(O)O)cc1OC	2060134185	SEGCFZGSWTVFNT-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CC1(CNC(=O)c2ccccc2B(O)O)COC1	2079010966	WYTMPIAIXBMBIT-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
C=C(Cl)CNc1cc(B(O)O)ccn1	2210060755	NEGINUZEEPVHPX-UHFFFAOYSA-N	212.445	-0.074	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CC1(C(=O)NN)CCC1	2212249183	MKPBDHKOOKGQPU-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC(C)NCCNc1cc(B(O)O)ccn1	2212602694	IFBVGAQRGJFTFX-UHFFFAOYSA-N	223.085	-0.829	50	10	BBGE	
CN(CCCC(=O)NN)c1cccn(C)c1=O	2213171368	QBKRSJCDPHDTAQ-UHFFFAOYSA-N	238.291	-0.408	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCOC(F)(F)C1	2215775993	JZRUVUOTBDUMOH-YUMQZZPRSA-N	249.261	-0.073	50	10	BBGE	
CON(C[C@@H]1CC[C@H]1C(=O)NN)[C@H]1CCOC1	2215778331	YOBREYBAICWCIE-LPEHRKFASA-N	243.307	-0.345	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC=CCC2)[nH]c1	2217180244	RJUPZUOQOURERI-SNVBAGLBSA-N	232.092	-0.049	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)[C@@H]1CCNC1	2217183615	MBJWUCAPYVTLCI-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
CNC1CCN(Cc2cccc(B(O)O)c2)CC1	2220069593	YZRJUYVLCJYVCZ-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1c1ccncc1B(O)O	2222181954	SLNGJBHFUZRUPX-ZJUUUORDSA-N	249.123	-0.710	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc2c[nH]nc12	2222879690	DKXFAFMKBJDSHT-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
Cc1cnc(OC[C@H]2CC=CCN2)cc1B(O)O	2223626566	NTBQKLQLHBNEHH-SNVBAGLBSA-N	248.091	-0.633	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN2CC[C@H]1C2	2223627273	LQRRXMKWJWBWIZ-GXSJLCMTSA-N	247.107	-0.733	50	10	BBGE	
N[C@@H]1C[C@H](COc2ncccc2B(O)O)[C@@H]2C[C@H]12	2223650666	PHYVUNBMGSASJA-UYAYMFIHSA-N	248.091	-0.877	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1Nc1cc(B(O)O)ccn1	2223665918	GDIXXMJWWXSOHR-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)N1CCCC1	2223666284	HXYSLUAOKYCCDB-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
Cc1cc(CN(C)c2ncc(B(O)O)cn2)no1	2223671129	HZVIPEBTDLXVHN-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
NNC(=O)CCOC1(C2CC2)COC1	2242114048	VFUWIJYCQQVLNS-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
C#C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243347803	QETUMOWBKYUHDA-VIFPVBQESA-N	221.065	-0.135	50	10	BBGE	
CN(C[C@H]1CCC1(C)C)C(=O)C#CB(O)O	2243349308	JJTYKXWUPAYGRN-SECBINFHSA-N	223.081	-0.104	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]2CC[C@@H]2C1	2243350360	ZUYQRTJFPBULDH-OWUUHHOZSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H](c1nccs1)N(C)C(=O)C#CB(O)O	2243361603	DLGOBSDMCKHHCZ-ZETCQYMHSA-N	238.077	-0.322	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC2(CCC2)C1	2243362901	YCJIBQMSORLMGZ-UHFFFAOYSA-N	221.065	-0.207	50	10	BBGE	
CC[C@@H](N)CN(C)C(=O)C1(B(O)O)CCC1	2243364126	RJEIPWMJLPJAPC-MRVPVSSYSA-N	228.101	-0.421	50	10	BBGE	
C[C@H]1CC[C@H](CCNC(=O)C#CB(O)O)O1	2243400038	UWBHRJSMJCRGFT-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]1C(F)(F)F	2243400060	VHXPIPXXUPVVEW-RITPCOANSA-N	234.970	-0.684	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H]1CO	2243409308	FRJZZUMLEKELSU-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)O2	2243415298	RMTIVMZRPPNORY-KZVJFYERSA-N	225.053	-0.761	50	10	BBGE	
CS[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427513	WRVFGJJMFYNSNM-DKXJUACHSA-N	247.125	-0.922	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243752780	MLRLHYVCYQKODI-WDSKDSINSA-N	229.041	-0.924	50	10	BBGE	
O=C(NC1CC=CC1)c1cocc1B(O)O	2244205170	GTSOKTIIEJVOLP-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(Cl)cn1)[C@@H](C)O	2245913534	TUFSNWGOADKPEZ-NTSWFWBYSA-N	244.487	-0.404	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	2247747500	OKEDUFIVVKJYLV-UKKRHICBSA-N	231.060	-0.718	50	10	BBGE	
COC[C@@H](CN(C)C(=O)C1(B(O)O)CC1)OC	2247751513	YNGZRPUGBLUVPM-MRVPVSSYSA-N	245.084	-0.887	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCO1	2247787506	PZSNTNINYMTWLN-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806556	FXYDQTFESMGMRN-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247808378	URBHOHPAHONCFB-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ncccc1B(O)O	2247868792	IEIVREBKSXJLJZ-QMMMGPOBSA-N	232.048	-0.790	50	10	BBGE	
O=C(N1CC[C@H](O)[C@H]1C1CC1)C1(B(O)O)CC1	2247872265	PORXMMLERXDOHO-DTWKUNHWSA-N	239.080	-0.635	50	10	BBGE	
CCOC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247877356	GTZAEEFFYVXLER-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)C2(B(O)O)CC2)[C@H]1C	2247878890	PTURGLDLYUVPBS-CIUDSAMLSA-N	240.112	-0.409	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)C1(B(O)O)CCC1	2247879668	WYNMQAZKFNILBP-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247887006	JBSXKQLYXBZMLU-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247887806	RVRYRTTUSFRXOH-JDDHQFAOSA-N	238.096	-0.813	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2247891766	NMZCJLHTIHWVBO-WOOKNIGNSA-N	241.096	-0.389	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(C)c(B(O)O)o1	2247891889	PTTRCODJKGEUMG-UHFFFAOYSA-N	237.064	-0.038	50	10	BBGE	
O=C(NCCCn1ccnc1)[C@@H]1C[C@H]1B(O)O	2247896743	JWRPONXMSWKHCA-RKDXNWHRSA-N	237.068	-0.748	50	10	BBGE	
COC[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898537	FJMMEDAOVPZXDS-WEDXCCLWSA-N	245.059	-0.564	50	10	BBGE	
O=C(NC1(CO)CCCC1)[C@H]1C[C@H](B(O)O)C1	2247898992	JIPBGBIPLPFTJJ-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCOC2)C1	2247900410	WNBCHTJBIBXGIY-FXPVBKGRSA-N	239.080	-0.512	50	10	BBGE	
O=C(NC1(C(F)F)COC1)C1CC(B(O)O)C1	2247909274	HMUBTQQJOXFPCH-UHFFFAOYSA-N	249.022	-0.610	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)NC1CC1	2248216756	AAECJDCXWITQMZ-UHFFFAOYSA-N	239.015	-0.816	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc(C2CC2)on1	2248416018	KMRCEURPYLITKV-UHFFFAOYSA-N	234.020	-0.703	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574821	CQZVBTKMSLCNLD-DKXJUACHSA-N	241.052	-0.781	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1cc(B(O)O)co1	2249415928	KPRAUKVVOGAGBB-JGVFFNPUSA-N	241.027	-0.420	50	10	BBGE	
C[C@H](CC(=O)O)C(C)(C)NC(=O)C#CB(O)O	2249847124	YRBOSNIDSLLAHD-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
COc1cccc([C@H](C)NC(=O)C#CB(O)O)c1	2255469868	VNBWVSMAFJANDF-VIFPVBQESA-N	247.059	-0.112	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c1	2255511008	DDMVUAMBEGXZGG-GDNZZTSVSA-N	245.087	-0.187	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1cc(B(O)O)c[nH]1	2255672727	LFTQARPWILQRMG-UHFFFAOYSA-N	248.091	-0.574	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2255672790	ABHZYJHCQCKLLX-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1ccoc1B(O)O	2255715966	MOMHLDNHSWKLNY-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(B(O)O)ccc1O	2256017262	QFGVHQAXRSQDBH-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
C=C=CCC(=O)NCc1ccc(B(O)O)cc1F	2257482638	VHKGEGZTBHTFPU-UHFFFAOYSA-N	249.050	-0.147	50	10	BBGE	
C[C@@]1(CCO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166081	RILQSPRQBSLFTH-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C(=O)N1[C@@H](CO)C[C@H]2CCCC[C@H]21	2298230248	PKQAADVGBKZXAQ-IWSPIJDZSA-N	241.291	-0.872	50	10	BBGE	
O=C(N[C@H]1COCCC1(F)F)[C@H]1C[C@H]1B(O)O	2298368552	KYZRQBANXBCLDM-XVMARJQXSA-N	249.022	-0.610	50	10	BBGE	
C[C@H](CN1CCc2nccn2CC1)C(=O)NN	2300205142	PZIKHAPQYFCFPP-SECBINFHSA-N	237.307	-0.633	50	10	BBGE	
C[C@@H](CCN)Nc1ccc(B(O)O)cc1C#N	2301347019	WZPNKDDLFORKHH-QMMMGPOBSA-N	233.080	-0.613	50	10	BBGE	
C[C@H](Nc1ccc(C=O)c(B(O)O)c1)[C@@H](C)N	2301422517	IHZWTUIMVSFINX-SFYZADRCSA-N	236.080	-0.674	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC12CCOCC2	2302829472	BXLUJDROOJBAQR-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cccnn2)C1	2303112631	UHMZLYCSRPDUDW-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCn2cncn2)C1	2303121547	XZHPKGWHGMAQPO-SNVBAGLBSA-N	238.100	-0.393	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)[C@H](OC)C1)C(=O)NN	2303424676	UPYUHQONTFCSPV-KKZNHRDASA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CC[C@@H](C2)NC3)nc1	2303682780	VKVTVABTJLRIRC-ONGXEEELSA-N	233.080	-0.932	50	10	BBGE	
COC[C@H](C)N(C)c1cc(B(O)O)c(F)cn1	2303834843	MSDDJFWKKZFDBF-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
COC(=O)NC1CN([C@H](C)CCC(=O)NN)C1	2306928899	KOLMIWZBHAOBCC-SSDOTTSWSA-N	244.295	-0.815	50	10	BBGE	
CNNC(=O)c1nc(Cl)c(N)nc1N	39319917	FZGDGFZEWNHAGS-UHFFFAOYSA-N	216.632	-0.841	50	10	BBGE	
O=S1(=O)CC[C@H](n2nnnc2CCl)C1	54743968	YWACOIWCCUMDHV-YFKPBYRVSA-N	236.684	-0.229	50	10	BBGE	
NNC(=O)c1nncn1Cc1ccccc1	75848667	YGJKANWCBXJXMT-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCCOC1)C(=O)NN	82545679	ORNJSUVBUFJJMT-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@H](C(=O)NN)C(C)C	110593338	WVHWOHNFSNCKRG-JTQLQIEISA-N	244.339	-0.543	50	10	BBGE	
O=C(O)CNC(=O)CCBr	167370925	MCWBIZAYRGMOQE-UHFFFAOYSA-N	210.027	-0.028	50	10	BBGE	
CC1(C)CN(Cc2ccc(B(O)O)cc2)CCO1	199008135	IPTZXHIFIGOEHC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)[C@H](C)CCl	227260613	NOJRNYJDVKPMFF-RITPCOANSA-N	223.656	-0.489	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1CO	251378779	VSWQMWPJMZRGBF-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CN)c1ccc2c(c1B(O)O)OCO2	258350018	GBDBZZBZZPAEMK-LURJTMIESA-N	223.037	-0.843	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C)C[C@H]1C	300355303	NKGORCKIWAUHRC-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
O=C1[C@H](Br)CNC[C@H]1[N+](=O)[O-]	306286195	KIQVKMLNAGWHKX-QWWZWVQMSA-N	223.026	-0.433	50	10	BBGE	
CNC(=O)NN=C(C(=O)O)c1ccco1	308679944	LNOQLLXLUTWZPS-UHFFFAOYSA-N	211.177	-0.003	50	10	BBGE	
NC(=O)C1(O)CCN(CCCCl)CC1	379510594	WXXJFBQXGAYFML-UHFFFAOYSA-N	220.700	-0.073	50	10	BBGE	
CCN1C(=O)COc2ccc(B(O)O)cc21	382742950	UYZBZRVRDZQCCJ-UHFFFAOYSA-N	221.021	-0.888	50	10	BBGE	
CNCCCN(C)Cc1nc(C(=O)NN)co1	386943644	HTFKLTNYOKCCGH-UHFFFAOYSA-N	241.295	-0.681	50	10	BBGE	
CC(C)(CCn1ncccc1=O)C(=O)NN	395716184	QHGGEGAVBAKFKG-UHFFFAOYSA-N	224.264	-0.351	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1O	399921453	PSKHRFXWAGKLJJ-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC[S@@](C)=O	399942729	VYKHRWKFBLARHN-ANRSDYALSA-N	235.353	-0.545	50	10	BBGE	
CCN([C@@H]1CCCOC1)[C@H](COC)C(=O)NN	402693454	MJCHFHPIRSBMCO-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCC[S@](=O)Nc1cccc(B(O)O)c1	405062100	QQPYJKOSIDQPOJ-HNNXBMFYSA-N	227.094	-0.148	50	10	BBGE	
NC(=O)Nc1ccc(Cl)cc1B(O)O	405127574	APZQTWGCLOXWCL-UHFFFAOYSA-N	214.417	-0.490	50	10	BBGE	
N#CC1(O)CCN(Cc2ncno2)CC1	685978950	UTQHVUZCCKGUJM-UHFFFAOYSA-N	208.221	-0.080	50	10	BBGE	
C[C@H](CN(C)C[C@@]1(C)CCOC1)C(=O)NN	687519552	LSSLOXJAUWXVNY-MWLCHTKSSA-N	229.324	-0.029	50	10	BBGE	
N#CC1(O)CCN([C@H]2COC[C@@H]2O)CC1	692125081	ZIKGSTAMUZJVEN-IUCAKERBSA-N	212.249	-0.903	50	10	BBGE	
N#CC1(O)CCN(c2nnc(O)nc2O)CC1	692149113	UOIFMFFJAOFWLN-UHFFFAOYSA-N	237.219	-0.862	50	10	BBGE	
CCN(CC(=O)NN)Cc1cnn(CC)c1	693751750	JWJOGHBYFNCCNO-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
OB(O)c1cc(Cn2ccnn2)ccc1F	699052271	WPSBOLQBQYUZSQ-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
O=C1CCc2cc(C(=O)NCB(O)O)ccc2N1	701946076	UEMLTWQMWGDVSH-UHFFFAOYSA-N	248.047	-0.687	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1ccnc1[N+](=O)[O-]	702741469	ZDSUFSKLJQIDQC-RITPCOANSA-N	227.224	-0.022	50	10	BBGE	
NNC(=O)CCN1CC(OCC(F)(F)F)C1	707275151	SVNQAEWSYRSSLM-UHFFFAOYSA-N	241.213	-0.371	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(n2cccn2)C1	707400812	WSLLQLRUGLQBPH-RKDXNWHRSA-N	237.307	-0.246	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1cc(B(O)O)ccn1	707719093	IKJBRPYYAXYTPD-CPCISQLKSA-N	234.064	-0.254	50	10	BBGE	
CN(c1nnnn1C)[C@@H]1COC[C@@H]1Cl	709195654	SMQRGUPABHCICC-NTSWFWBYSA-N	217.660	-0.348	50	10	BBGE	
COC[C@@H](CO[C@H](C(=O)NN)C(C)C)OC	709959570	KJCCOCPOECCUEF-IUCAKERBSA-N	234.296	-0.321	50	10	BBGE	
CN(C)NC(=O)[C@@]12CCOC[C@H]1CNC2	715421289	KNXDRMFSGNLUIE-PSASIEDQSA-N	213.281	-0.795	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@@H](C1=O)C2(F)F	715550988	SQZJTRKGUUIGHF-XINAWCOVSA-N	219.191	-0.910	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718166201	JHKDAVFRHZFZTJ-OUAUKWLOSA-N	241.335	-0.031	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNC[C@@H]1C(F)(F)F	720780799	NUYAPBVJQRAOOU-WDSKDSINSA-N	225.214	-0.023	50	10	BBGE	
CN1C[C@H](C(=O)NNc2ccccn2)NC1=O	831750266	WVQHBDVLPWPMKW-SSDOTTSWSA-N	235.247	-0.452	50	10	BBGE	
CNC(=O)NN=Cc1cncnc1OC	842524860	IMZKEFCQGPBRIV-UHFFFAOYSA-N	209.209	-0.252	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCF	911501975	BWIKRCIAKXUUEC-RNFRBKRXSA-N	218.228	-0.082	50	10	BBGE	
Cn1ccc(NC(=O)c2ccc(B(O)O)cc2)n1	1290289054	NNTLUDDSXQQEMV-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC(C)=NNC(=O)CN1CCN(C)CC1	1865763574	RZBDWIWQRQEZPW-UHFFFAOYSA-N	212.297	-0.254	50	10	BBGE	
O=C(NCCCl)c1cc(O)nc(O)n1	1865982341	SARHJZBBKRKYSC-UHFFFAOYSA-N	217.612	-0.144	50	10	BBGE	
OC1CNC(=NC[C@@H]2C[C@@H]2Br)NC1	1877372286	HBLSWPQKSBOVNK-FSPLSTOPSA-N	248.124	-0.321	50	10	BBGE	
CNC1(C(=O)NC[C@@H]2C[C@@H]2Cl)COC1	1893087436	AZFAKFXJOPEBKY-BQBZGAKWSA-N	218.684	-0.282	50	10	BBGE	
COc1ccc(=O)n([C@H](C)CC(=O)NN)n1	1894124188	BAXJNMKEIRKTNK-ZCFIWIBFSA-N	226.236	-0.807	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)NN	1895439131	JQDDSYYEQRSUIN-RGOKHQFPSA-N	227.308	-0.421	50	10	BBGE	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NCC#CB(O)O	1897284734	YNQYERIVFPPWTJ-UTLUCORTSA-N	221.065	-0.446	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCS1(=O)=O	1900502715	XWZOYUZDNBMOBK-SFYZADRCSA-N	247.320	-0.962	50	10	BBGE	
CN(NC(=O)c1ncc[nH]1)S(=O)(=O)C1CC1	1901358440	BIISIDMJBKIETL-UHFFFAOYSA-N	244.276	-0.522	50	10	BBGE	
C=CC1(O)CN([C@H](C)CCCC(=O)NN)C1	1901762549	IAVLBPTVYFWYHF-SECBINFHSA-N	227.308	-0.232	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CCC(=O)N2)C1	1902513589	RVNYUOVNTHXSCJ-PSASIEDQSA-N	226.085	-0.796	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@@H]1C)C(=O)NN	1902713932	QXNPKWMHNBHYKM-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](C)(CN1CC(CCO)C1)C(=O)NN	1902716523	TYPHECGYPIPJKR-NSHDSACASA-N	229.324	-0.293	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@@H]1C[C@H]1F	1907456210	VENFKVUGRPMQSA-RKDXNWHRSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1ccoc1C(=O)NN	1908493670	KYHFDJZKXZGAFW-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C[C@H]1F	1908715662	OOTGZJSAVSKDJQ-UTINFBMNSA-N	245.298	-0.186	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CCC[C@@H]2C1=O)C(=O)NN	1912216644	RFNBDPOMDLXHOF-CSMHCCOUSA-N	239.275	-0.603	50	10	BBGE	
COc1cc(OC)c([C@H](N)B(O)O)cc1OC	1912278407	YSNFRSRHZGOUKM-JTQLQIEISA-N	241.052	-0.276	50	10	BBGE	
Cc1ncc(C(=O)Nc2ncccc2B(O)O)o1	1913637387	WPWTXMGEXKTMOV-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1[C@H](C(=O)NN)C(C)(C)C	1914254806	HWVPUVXZKWAFJT-IWSPIJDZSA-N	229.324	-0.154	50	10	BBGE	
O=C(CCCl)N1C[C@@]2(CO)C[C@]2(CO)C1	1928556239	FPKHFVJBPFSOPB-NXEZZACHSA-N	233.695	-0.181	50	10	BBGE	
CCON(C)Cc1nsc(C(=O)NN)n1	1928678304	QWIPZVJOLVZQKJ-UHFFFAOYSA-N	231.281	-0.475	50	10	BBGE	
CCOCCCO[C@H](COC)C(=O)NN	1929797161	FWKMHEOQTWJZIO-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
CC1(F)CN(CCOCC(=O)NN)C1	1930279926	UMFPDFJKEJHPQE-UHFFFAOYSA-N	205.233	-0.963	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@H](C)C(=O)NN)C[C@@H]21	1935840558	VMJMZZGPKYTCRU-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
C[C@]1(CO)CCN(CC(F)(F)C(=O)NN)C1	1935940881	FYBLELKXUPEWPT-QMMMGPOBSA-N	237.250	-0.684	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1936078648	BHIAOHDJCVOROS-XFWSIPNHSA-N	227.308	-0.827	50	10	BBGE	
Cn1ncc(CN2CC(=O)OC(=O)C2)c1Cl	1937978053	XVCGSOLJWUAEIT-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
CC1(CO)CN([C@H](C(=O)NN)C(C)(C)C)C1	1940019171	WDDCRLXZZUBHNR-MRVPVSSYSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@H]21	1940525667	SYHNLPBHIVRCKF-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CCc1cc(=O)n(CC2(C(=O)NN)CC2)cn1	1945889441	PYTAJNUTUFYCPD-UHFFFAOYSA-N	236.275	-0.424	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@@]2(C1)CC2(F)F	1950343540	GMZDHROGZUCCLD-IMTBSYHQSA-N	247.245	-0.082	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](CO)[C@@H](O)C#N	1951361690	WNFICBUCMZRMKP-RQJHMYQMSA-N	216.237	-0.244	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cc(O)c(O)c(O)c1	1952836223	JSTFLRBBFLNOBP-JGVFFNPUSA-N	210.189	-0.312	50	10	BBGE	
CNC(=O)C1(NS(=O)(=O)CCCl)CC1	1955420770	AGOIBIRNFZEGII-UHFFFAOYSA-N	240.712	-0.577	50	10	BBGE	
CON([C@@H](C)C(=O)NN)[C@@H]1CCOC1	1956249958	BPLWVSNLDNUDFG-NKWVEPMBSA-N	203.242	-0.983	50	10	BBGE	
NC(=O)C[C@@H]1CCN(C[C@@H](O)CCl)C1	1956252173	NDBNKNHOPFTQJZ-YUMQZZPRSA-N	220.700	-0.217	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)CC(F)(F)C(=O)NN	1957007583	VVRZYVMQRMEXNN-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
C[C@H](CCl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1961459949	GCHHPSQNQHBDQX-PHDIDXHHSA-N	232.667	-0.265	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CCO2)C1	1961520483	OSBYJMZTPWREPU-UHFFFAOYSA-N	221.207	-0.914	50	10	BBGE	
CC1(C)CCN1c1ccc(B(O)O)cn1	1961682084	WYFYEZQWPBENLJ-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961927295	UBZKPKFSVCHIIT-ULHDWMFZSA-N	233.695	-0.044	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962234210	UZXKAIZJLFFGKW-WUNMTQJUSA-N	233.695	-0.281	50	10	BBGE	
C=C1CCN(C(=O)c2cccc(B(O)O)c2)C1	1962779533	NUJNJAYOPWBCQC-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)ccc1Cl	1968401651	OCGJOLXLJFBPCX-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C(=O)C2CC(Cl)C2)C1	1972294232	DWLVUBCDOZUBAU-HNQUHTCLSA-N	246.694	-0.548	50	10	BBGE	
COCCO[C@H]1CCN(CCC(=O)NN)C1	1976096803	LREQWQSVZRFADZ-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC[C@H]1CCOCC[C@@H]1NC(=O)C(=O)NN	1978955217	GERYOJXXRZTABB-YUMQZZPRSA-N	229.280	-0.702	50	10	BBGE	
CO[C@H](C)[C@@H](CC(=O)O)NC(=O)NN(C)C	1979148927	FABCTKBGZVFZCM-RNFRBKRXSA-N	233.268	-0.360	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCC[C@H](O)C1	1980520675	OWXPDAQEVLOCHX-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@H](O)C1	1980522260	YAPHWZALGIRXLA-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)CC12CCC2	1980722661	LPOPRPXQXORZKN-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CCN(CC)C[C@H]1CCN(CC(=O)NN)C1	1980791289	PAXTWSFSZKJNCD-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)NC(=O)[C@H]2C1	1981051744	JYLUIQLAVBEESB-RNFRBKRXSA-N	242.666	-0.647	50	10	BBGE	
Cc1ccc(=O)n(CC2(C(=O)NN)CC2)c1	1981073029	QUJGFZWXUHRFNF-UHFFFAOYSA-N	221.260	-0.073	50	10	BBGE	
CN(C)CCOc1ncc(B(O)O)cc1Cl	1982817375	VLCRPRSKVLASGZ-UHFFFAOYSA-N	244.487	-0.645	50	10	BBGE	
C[C@]12CCCN(CC(=O)NN)[C@H]1CCOC2	1984472372	WWDJPHNUDUTNPE-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H](C)COCc1ccc(B(O)O)cc1	1986048361	ANUCLLVHPCUZFN-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2CCO[C@H]2C1	1986659768	HKYHKWNXCMTCNC-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1OC2(CN(C)C(=O)C(=O)NN)CC1C2	1989835056	UZRKPNOCBUPCLT-MLMMTNJESA-N	227.264	-0.998	50	10	BBGE	
O=C([C@@H](Cl)[C@H]1COCCO1)N1CCOCC1	1991788785	HXDTWTVEYSAZIN-BDAKNGLRSA-N	249.694	-0.132	50	10	BBGE	
C=C(COC[C@@H]1OCCOC1(C)C)B(O)O	1992158920	DYHQDXUUVCLFDK-VIFPVBQESA-N	230.069	-0.235	50	10	BBGE	
C=C(CN1CCN(C[C@@H](C)F)CC1)B(O)O	1992167735	PHTFLAMENUKPRU-SNVBAGLBSA-N	230.092	-0.470	50	10	BBGE	
CC#CC(=O)NCc1ccc(B(O)O)cc1	1994688346	PASTXTAVUFSTFD-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](OCCO)C1	2001032262	VTMTVLUKKMZOKI-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CC(C)COCCOc1ncncc1B(O)O	2004929405	KUPMBDFFPXKSSK-UHFFFAOYSA-N	240.068	-0.792	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(F)c(B(O)O)c1	2005067793	LJYOKRDXDZDHGH-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H](CCO)O1	2009337522	MLWUGBIJVAQQMI-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1COC2CC1C2	2011812038	DDAVQMBENFWJFD-UDNWOFFPSA-N	243.307	-0.898	50	10	BBGE	
Cn1nnc2cccc(C(=O)NNCCO)c21	2012300879	FHWCVMACPFPISM-UHFFFAOYSA-N	235.247	-0.805	50	10	BBGE	
NNC(=O)CCCN1CCC[C@]2(CC[C@H]2O)C1	2013326941	AXQPYHRARXZUHL-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1CN2C	2013678031	UUYCHFISYSJYEP-ZDCRXTMVSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)C12CCC2	2016081422	VFHVDWPROJWEBT-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(C)CN(C)C1CN(C[C@@H](C)C(=O)NN)C1	2017469152	QGLUNJFTLIHIJX-SNVBAGLBSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1cc(B(O)O)ccn1	2025659990	MTRNZMNPGJQTMD-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@@H]2CCC[C@H]21	2052490194	APSCNSOLRDKKHR-GHMZBOCLSA-N	248.091	-0.481	50	10	BBGE	
Cc1cnc(N2CC3(CCCO3)C2)c(B(O)O)c1	2052621836	MASWKTAOCPNCRJ-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
COc1cc(Cl)c(B(O)O)cc1C#N	2060103101	PRZNHPSQKKWRDZ-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
OB(O)c1ccccc1COCCn1cncn1	2064611515	JDZSZXOBZGCTAE-UHFFFAOYSA-N	247.063	-0.825	50	10	BBGE	
Cc1ccc(B(O)O)cc1CO[C@@H]1CCN(C)C1	2077336545	GBCACTNVQUDNMV-CYBMUJFWSA-N	249.119	-0.104	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1O[C@H]2C=C[C@H]1C2	2078464838	IVYGQHZNYHZFJV-QWRGUYRKSA-N	249.050	-0.050	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)F)C(=O)OC	2209522272	SVHVETSWQTUNKV-SCSAIBSYSA-N	207.157	-0.230	50	10	BBGE	
NNC(=O)C1(CN2CC(F)C2)CCC1	2209998370	FHQIEHANEQFUCJ-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
COCCCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211828389	YLVCHMKYCAJUJE-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
Cc1cnc(Sc2ncc(B(O)O)cn2)[nH]1	2212599153	DFIBPBRZPDGCLT-UHFFFAOYSA-N	236.065	-0.661	50	10	BBGE	
CC[C@@H](COc1ccc(B(O)O)cn1)NC	2212608736	LFOJKOPXIJQYDC-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1ncccc1B(O)O	2212610078	BYGGKAHQCGATBM-WCBMZHEXSA-N	222.053	-0.649	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN(C1CC1)C1COC1	2215774280	DBFBARVOBVUEBS-KCJUWKMLSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@]12CCOC2	2215777078	QMYAIZHEVFKYED-CKYFFXLPSA-N	239.319	-0.133	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2216684055	JQCAORLDKPURHF-XNDJQWLSSA-N	239.319	-0.277	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Nc1cc(B(O)O)ccn1	2217178446	WEBJINZJIBGKRC-ZJUUUORDSA-N	235.096	-0.686	50	10	BBGE	
COC[C@@H]1C[C@H]1CNc1cc(B(O)O)ccn1	2217200971	NAUVYCYQOKMAIC-IUCAKERBSA-N	236.080	-0.544	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@@H](F)C2)nc1	2217202023	UBCHLDZJRBDWKU-BDAKNGLRSA-N	239.059	-0.151	50	10	BBGE	
OC[C@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220067834	ALLXOVIQXZXCAJ-DGCLKSJQSA-N	247.103	-0.819	50	10	BBGE	
Cc1ocnc1CCNc1ncccc1B(O)O	2223628560	QOIKOBHTZFFDLA-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
CN(CCn1cccn1)c1cc(B(O)O)ccn1	2223633185	TWOGTJCYBGLJIL-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3ccc(B(O)O)cn3)C[C@H]12	2223648442	LBCGPLSRJHJGFE-DMLMCSCLSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)nc1	2223675844	ZIGXSSXQJZUDIB-RPJMYOHSSA-N	245.091	-0.387	50	10	BBGE	
O=C(NCC1=CCOCC1)C1(B(O)O)CC1	2243364035	PXTVHERPABHWJQ-UHFFFAOYSA-N	225.053	-0.544	50	10	BBGE	
O=C(NCCN1CCCC1)C1(B(O)O)CC1	2243364441	XDXQERRZKDFIPH-UHFFFAOYSA-N	226.085	-0.795	50	10	BBGE	
COCCN(C(=O)C1(B(O)O)CC1)C(C)C	2243365718	QVFXLJDKCHOHRY-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
CC1(CN)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381850	JQVHJCJJQICZQD-OCAPTIKFSA-N	226.085	-0.953	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1(B(O)O)CC1	2243408011	FEQOZFFLPURESA-QMMMGPOBSA-N	228.101	-0.421	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)C1(B(O)O)CC1	2243408860	WRAJQZKSGZDRGQ-XAVMHZPKSA-N	221.065	-0.140	50	10	BBGE	
N#CCNC(=O)c1cccc(B(O)O)c1Cl	2243411386	SGXHXAIEFMOBGL-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1csnc1B(O)O	2243411819	APZSSQRTUKEOFY-CAHLUQPWSA-N	240.093	-0.697	50	10	BBGE	
COCCCN(C)C(=O)C1CC(B(O)O)C1	2243413941	QFJPLERDHYLMQX-UHFFFAOYSA-N	229.085	-0.266	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)sn1	2243414717	HBNCWNSGBWNHHB-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CN1	2243426152	FMJVLWBMSDKWFO-XGEHTFHBSA-N	226.085	-0.894	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]2C=C[C@H]1C2	2243668377	OCTNHCXANMHNHH-GUBZILKMSA-N	221.065	-0.117	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243753304	SKCSLBWGCODYTP-NTSWFWBYSA-N	229.041	-0.781	50	10	BBGE	
CC1(CNC(=O)c2ccncc2B(O)O)CC1	2247721174	AVVWDPFPSGKTNC-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]1CF	2247743642	GZIUWXHVTUMXJP-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247748194	ZFUGBJNEVPBXPP-VXNVDRBHSA-N	236.080	-0.387	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)O	2247756273	SDYMLGQCAWJNIO-WCBMZHEXSA-N	241.096	-0.387	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247797335	IOCZBAIPWVXJBA-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
CNC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247808986	WUCZIXQPNZSRAE-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CC(C)(C)CO1	2247846302	DHSGUYFQIPZYNB-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2COCC[C@H]21	2247848816	QVHNOOSVLRZCGT-NXEZZACHSA-N	237.064	-0.971	50	10	BBGE	
O=C(N[C@@H]1CC[C@]12CCCO2)C1(B(O)O)CC1	2247854189	YJGHFDKDQKOXEF-LDYMZIIASA-N	239.080	-0.179	50	10	BBGE	
O=C(N1CCC[C@@H]1C1(O)CC1)C1(B(O)O)CC1	2247872371	QZMYLRGUJNWGEW-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)cn1C	2247875640	ZUFGHANQZSULOU-MRVPVSSYSA-N	236.080	-0.649	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)C2(B(O)O)CC2)[C@H]1C	2247878892	PTURGLDLYUVPBS-VGMNWLOBSA-N	240.112	-0.409	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ncc(B(O)O)cn1	2247888711	FCGUKBVSSDTIQZ-SSDOTTSWSA-N	237.068	-0.973	50	10	BBGE	
C[C@H](N)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894260	DZHDBTPRNKARLK-XKNYDFJKSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247897106	OAMPFCQIFNFHJD-IGORNWKESA-N	238.096	-0.894	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248586077	VJONESGMJSJLBH-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)[C@@H]1C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248587953	XACNHQRLESGAMG-FXQIFTODSA-N	239.036	-0.909	50	10	BBGE	
Cc1nnccc1CN(C)C[C@@H](C)C(=O)NN	2251595533	CHEPOWVCNPHTDT-MRVPVSSYSA-N	237.307	-0.157	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2251726376	JJYXNGUGXGZASE-AEJSXWLSSA-N	240.112	-0.693	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)ccc1C	2255512729	FBELJAWZORETNE-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1c(F)cccc1B(O)O	2255513833	YTJRUQHJSQWOLR-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(B(O)O)cn1	2255519837	CBHDLQIWAVZLTN-FKTZTGRPSA-N	246.075	-0.710	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1occc1B(O)O	2255737940	LIZMWUHMKFUVKW-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)cc1O	2255948050	RFHAPMTVODGBKA-SECBINFHSA-N	247.059	-0.480	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2256726805	NGNVCXOQEYNHRI-SSDOTTSWSA-N	247.063	-0.937	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369474	VUQVSKJLIMZQAK-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
O=C(N1CCOC[C@H](F)C1)C1(B(O)O)CCC1	2299875198	IYDFTUWXNVQMMD-MRVPVSSYSA-N	245.059	-0.420	50	10	BBGE	
CN(C)C1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300370291	KBQKRAPJECHOGM-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CC(C)=C(CN1CCO[C@@H]2COC[C@H]21)B(O)O	2301958099	HXPTVYDNYYPBMG-GHMZBOCLSA-N	241.096	-0.566	50	10	BBGE	
C[C@H](CCCC(=O)NN)OC[C@H]1COCCO1	2301983475	XSHDKTZPVUJZDL-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
CC(C)n1cnc(CN2CC[C@@H](B(O)O)C2)n1	2303136184	PPKWQISYLVECSI-SECBINFHSA-N	238.100	-0.092	50	10	BBGE	
CNCC[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303852517	MMEIADGWMIBBRY-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1c1ccc(B(O)O)cc1C#N	2317168696	XPILSTWWLZSAPA-KCJUWKMLSA-N	245.091	-0.836	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2c1ccncc1B(O)O	2318321657	JKPOVSRYUKGBRH-SBMIAAHKSA-N	248.091	-0.625	50	10	BBGE	
COCCNC(=O)C(C#N)=CNCCC(=O)O	2324623474	GVFXURRWMCBGSD-UHFFFAOYSA-N	241.247	-0.779	50	10	BBGE	
CCOc1cnc(C(=O)NNC(C)=O)o1	381346	QKPGTMWVSAKADP-UHFFFAOYSA-N	213.193	-0.146	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)c2ccc(N)cc2O1	19757494	VZGXECCGOFIFKT-SSDOTTSWSA-N	236.275	-0.154	50	10	BBGE	
CN(C)CCNC(=O)CNC(=O)CCl	41695141	NYHVKMOFQNWHPL-UHFFFAOYSA-N	221.688	-0.981	50	10	BBGE	
CNC[C@@H]1CCCCN1CC(=O)NNC(C)=O	63168465	RKAAMRCYMUTDPV-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
CCN(CC)[C@@H]1CCN([C@@H](C)C(=O)NN)C1	82469293	CAEBYIQDDGJFME-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H](C)COC	82469495	POHKTOLFIBKHRY-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@@H](C)C(=O)NN	82470152	NETLQVWYGYBWSU-MRVPVSSYSA-N	230.312	-0.978	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCN(C)C	82544101	QOIUOPDFIQWQSV-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
CC(C)(CN1CC[C@@H](CN)C1)C(=O)NN	86597791	WELHKMPJUXUUJE-QMMMGPOBSA-N	214.313	-0.717	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCOCC1=O	93226295	VITLDEVMZDWAKO-UHFFFAOYSA-N	239.231	-0.758	50	10	BBGE	
CC(=O)NN(N=O)C(=O)NCCCl	95861626	XSIXQOVOUVBLCV-UHFFFAOYSA-N	208.605	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC(=O)NC1CC1	110591121	TXAXSOULWAAMJY-JTQLQIEISA-N	242.323	-0.789	50	10	BBGE	
CC[C@H](COC)N1CC(=O)OC(=O)C1	112547033	YPONCBGIXDMNSE-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
N#C[C@@]1(N=C=O)CCCS(=O)(=O)C1	125139972	DBDONEYAWDNFBK-ZETCQYMHSA-N	200.219	-0.207	50	10	BBGE	
C[S@](=O)CCNC(=O)NC(=O)CCl	135300222	QLTDBYZIDQOYSH-CYBMUJFWSA-N	226.685	-0.571	50	10	BBGE	
CN[C@@H]1CCCN(P(N)(N)=O)C1=O	148888332	BDQXVLSWQNTZOX-RXMQYKEDSA-N	206.186	-0.778	50	10	BBGE	
OB(O)c1cccc(Cn2ccnc2)c1	203168582	BELNMGFGGDXWCW-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
Cc1cccn(Cc2ccccc2B(O)O)c1=O	203177999	KBIIVDQEQQRKQE-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@@H](C)CCC(=O)NN	216336623	RAXCQISRSIPTLC-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CNC(=O)[C@H]1CCCN([C@@H](C)CC(=O)NN)C1	232300923	QIUXIKXWCAUKFY-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
N#C/C(C=O)=C\C=C\Nc1c(O)c(=O)c1=O	309059563	ZANRSTSTADOBAZ-DHWRHDBVSA-N	218.168	-0.437	50	10	BBGE	
CC(C)C[C@H](N)C(=O)NCC(=O)NCCCl	309204811	BOQRXGLKQAIFDI-QMMMGPOBSA-N	249.742	-0.169	50	10	BBGE	
NNC(=O)c1csc(CN2CCNCC2)n1	378777428	YFJZHVWUXYMHNT-UHFFFAOYSA-N	241.320	-0.848	50	10	BBGE	
COc1cc(B(O)O)ccc1CNC(C)=O	380880920	XWJNJZIQSVHRMJ-UHFFFAOYSA-N	223.037	-0.989	50	10	BBGE	
CNC(=O)CCCOc1ccc(B(O)O)cc1	383456512	FBYKHULOTPWEDO-UHFFFAOYSA-N	237.064	-0.729	50	10	BBGE	
CN(C)C=NNC(=O)c1cn(C)[nH]c1=N	383915246	BVLATRNRIAYSOX-UHFFFAOYSA-N	210.241	-0.933	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)cc1CO	396058425	NIXFYYBXMGFGLK-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)CC[C@H]1C	399445403	XXKZIRPMFZZKCH-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CC[C@@]1(C)COCCN1[C@@H](C)C(=O)NN	687844996	HKBFJJKAWXRHCS-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1[C@H](C)C(=O)NN	688638296	HPUBVTYLFXTMAC-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(CN(C)C)C1	695087955	QLIWJCHNLKZBIH-NSHDSACASA-N	242.367	-0.116	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@H]1C1CC1	699058211	AKHZWZJCKMRSJF-UWVGGRQHSA-N	246.075	-0.254	50	10	BBGE	
CCO[C@@H]1CCN([C@H](CC)C(=O)NN)C1	701692203	DFIDMLASYSCOMS-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cccnn1	701792352	SRMQRUPYUJDSQJ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(C)COC1	705803483	YKFQTUVZIJVEEJ-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
C=CCOCOc1ccc(B(O)O)cc1	707371608	QMNYHTAPQBMDGY-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCl	709319075	LQWXOAAAZGXVCU-RNFRBKRXSA-N	243.712	-0.754	50	10	BBGE	
O=C(CCOC1CC1)Nc1cccc(B(O)O)c1	716963749	LYPVAMAXMPITGN-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
C#CC[C@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	717912887	MYPQONOKEPTLAF-CIUDSAMLSA-N	223.228	-0.713	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)C(=O)NN)CC1	718281012	UDVAHVIMGDNQFV-HTQZYQBOSA-N	229.280	-0.560	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719154102	GMBYIBHJKUZEFZ-LSJOCFKGSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=S)[C@@H]1CCCO1	720574180	YLWWBFGCILTCGN-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H](N)C(F)F)CC1	724766884	NGNCKPYYWZULCV-ZETCQYMHSA-N	247.245	-0.154	50	10	BBGE	
O=C(NNCc1ccccc1)[C@H]1COCCN1	843123725	OQYNZWWCEGHFMI-LLVKDONJSA-N	235.287	-0.204	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)nn1	855183917	JPTCXYDRUDMUMR-JIGDXULJSA-N	249.274	-0.378	50	10	BBGE	
C#CCC(CC#C)C(=O)NNC(=O)c1cc[nH]n1	857305523	ILFGHPREFCSNHW-UHFFFAOYSA-N	244.254	-0.167	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1CCCN(C)C1=O	900427272	HMGWQICGANNDLK-ZETCQYMHSA-N	242.279	-0.843	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H](O)C(C)(C)O	900534365	MTAIVXUFJZTAJO-SECBINFHSA-N	246.307	-0.298	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@@H](C)CO1	910181666	DFNRKYFUDYDHFV-VGMNWLOBSA-N	216.281	-0.245	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NN(C)[C@H](C)CO)C1	911445169	OAADQPIOUYJNNQ-DJLDLDEBSA-N	216.281	-0.245	50	10	BBGE	
Cn1cnc(C(=O)NNc2ncncc2F)n1	1141504652	JMQKLLRDNURKCA-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1	1292259486	XOHPJMQNUZYFLL-UHFFFAOYSA-N	239.235	-0.970	50	10	BBGE	
O=C(NNC(=O)[C@]1(O)CCOC1)C1CCC1	1465060970	HVQBBVNXZYLQIO-JTQLQIEISA-N	228.248	-0.915	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)c2ncon2)n1	1536938639	XUERVOCZQXEAAI-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1	1624651677	LGIDXQPEFXYROQ-DTWKUNHWSA-N	222.248	-0.309	50	10	BBGE	
CC(=O)C1(C(=O)NNC(=O)c2ncon2)CC1	1649092292	CUBLJRJTNKPSSZ-UHFFFAOYSA-N	238.203	-0.800	50	10	BBGE	
O=S1(=O)C[C@H](NCCF)[C@@H](Cl)C1	1880702899	KIWOACFDQFJDNZ-WDSKDSINSA-N	215.677	-0.050	50	10	BBGE	
C=C[C@@H](CO)NC(=O)C=CC(=O)Cl	1883627718	YKVSBEPPFOYQPC-LURJTMIESA-N	203.625	-0.029	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C1(O)CNC1	1893460444	FSCQGKYYAPEQIA-RRKCRQDMSA-N	218.684	-0.547	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)CCCN1	1893470984	YKCQQHCNPNQFQY-RQJHMYQMSA-N	216.668	-0.038	50	10	BBGE	
CO[C@@H](CN)CNNC(=O)OC(C)(C)C	1893591169	FTYIRZYMKVPHKG-ZETCQYMHSA-N	219.285	-0.011	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@@H]1OC	1895543468	PBISVKAHIZEADX-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1896435057	LAFZHZZTBWTIGV-FXQIFTODSA-N	239.724	-0.132	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1SCCCO	1901204640	RHFSGEGLVFIDGS-UHFFFAOYSA-N	237.089	-0.287	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)CC2COC2)C1	1902513960	USHBOECSGGEVES-JTQLQIEISA-N	227.069	-0.512	50	10	BBGE	
N[C@@H]1COCC[C@@]1(NC1CC(Cl)C1)C(=O)O	1904186593	NBAAIHMWOAZDQV-VUMZSGCYSA-N	248.710	-0.083	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1C[C@H](F)C1	1904999729	OIEDOOZKRZWTNM-ZKCHVHJHSA-N	225.028	-0.112	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN(CCCC(=O)NN)C1	1906328182	VWXXHFZNUTVXON-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C(C=Cc1ccc2c(c1)OCO2)NCB(O)O	1911738794	MDYXNJYPLUSLRO-UHFFFAOYSA-N	249.031	-0.443	50	10	BBGE	
CCN(CC(=O)NN)S(=O)(=O)C(C)C	1913444305	RXTPYQSCPJRTFK-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NC(=O)CCl	1922094893	PBYXWOGOMNEULD-RNFRBKRXSA-N	206.673	-0.330	50	10	BBGE	
CC[C@@H](NNC(=O)C(F)(F)F)C(N)=O	1923448886	UZXMFKPYSICAQP-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
C[C@@H](CN1CC2(CSC2)C1)C(=O)NN	1928605173	JIGLWGICELJNRM-ZETCQYMHSA-N	215.322	-0.339	50	10	BBGE	
NNC(=O)COCCOC1CC(F)(F)C1	1929654464	YFCFCVCSZVOXOA-UHFFFAOYSA-N	224.207	-0.193	50	10	BBGE	
OC[C@@H]1CCN1C[C@H](O)CBr	1929729442	OCZQLEUITCBJSN-NKWVEPMBSA-N	224.098	-0.191	50	10	BBGE	
NNC(=O)C1(CN2CC(C(F)F)C2)CC1	1931258612	CVMNZNHINLCFQV-UHFFFAOYSA-N	219.235	-0.047	50	10	BBGE	
OC[C@@H](O)C1CCN(C[C@@H](O)CCl)CC1	1932260294	WUGGZAZFLQGGRM-VHSXEESVSA-N	237.727	-0.349	50	10	BBGE	
NC1(C(=O)N2CCSSCC2)COC1	1932894097	ZSABFONWSQURCD-UHFFFAOYSA-N	234.346	-0.062	50	10	BBGE	
Cn1nncc1[C@H]1CS(=O)(=O)C[C@H]1Cl	1934427817	LUYAJSSRRFTBIJ-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)[C@H]2COCCO2)C1	1937191384	TXJFKJFSDXKDNI-DJLDLDEBSA-N	248.710	-0.561	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@]2(C1)CC2(F)F	1939536745	PNUCNITXPSCNCN-SVGQVSJJSA-N	233.218	-0.330	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCN(C)C(=O)C(=O)NN	1940003430	PXKVTPSKBPOVQZ-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941086064	GTDWKLMDCRUJAD-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CC1(CO)CCN(CCOCC(=O)NN)CC1	1941772844	OGXGWFBWANHSLU-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCCN1C	1941784691	RSQZWCYGQURODA-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)[C@@H](C)C1	1944325538	VCVVLWDHXLCCTE-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1CC1(C(=O)NN)CC1	1946258422	ZTEXABJWHBUWDH-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CNC(=O)C1(NS(=O)(=O)CCl)CC1	1954431423	YKFUVZNOYZZFFB-UHFFFAOYSA-N	226.685	-0.619	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N(C)CC)C1	1961181009	SHGTZXDSDSHWGR-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
CN(C(=O)CCCCl)[C@H]1CC(=O)NC1=O	1961463726	ZOPNXDNRRXFFCN-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
CN(CC1CC1)c1ccncc1B(O)O	1961694952	WNPSXOPLUIJIQS-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1962236852	UZXKAIZJLFFGKW-MOUGRGQZSA-N	233.695	-0.281	50	10	BBGE	
O=C(NOCCF)c1cc(B(O)O)ccc1F	1963589236	SXRXUFDFAYKOCH-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
O=C(CCCl)N[C@H]1CCn2nnnc2C1	1974681261	LGBCOZVEOGQKPK-LURJTMIESA-N	229.671	-0.267	50	10	BBGE	
CC(C)C[C@@H](C)Oc1ncc(B(O)O)cn1	1981431431	ZBAIMFNXPOQBCQ-MRVPVSSYSA-N	224.069	-0.030	50	10	BBGE	
Cc1ncn(C)c1CN(C)[C@@H](C)C(=O)NN	1987999057	WURPVUJFGRGSGY-QMMMGPOBSA-N	225.296	-0.461	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@H]2COC[C@@H]21	1991655644	YGUXPDQVLPWJHV-YUMQZZPRSA-N	244.678	-0.493	50	10	BBGE	
Cn1cc(C(=O)[C@H]2C[C@H]2Cl)c(=O)n(C)c1=O	1991685610	MGSAMJYALOXQPY-CAHLUQPWSA-N	242.662	-0.106	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(n2cnnc2)C1	1991716742	NUCQPSIUXXRLHI-OWOJBTEDSA-N	240.650	-0.017	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CSCCCO)(C1)C2	1993883629	KSMZRYOFCWKTMS-MGCOHNPYSA-N	246.332	-0.359	50	10	BBGE	
C[C@@]1(CNC(=O)NC(=O)CCCl)CC(=O)N1	1994948637	AQRRVDZIQBQVBV-VIFPVBQESA-N	247.682	-0.280	50	10	BBGE	
C#CCCCCC(=O)N[C@H](CB(O)O)C(=O)O	1998133685	UVXSCNUDUWIKRF-MRVPVSSYSA-N	241.052	-0.778	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCc2c(ncn2C)C1	2003940496	XINVKFKJZOHAOP-QMMMGPOBSA-N	237.307	-0.453	50	10	BBGE	
OB(O)c1cnc(N2CCCC23CCC3)nc1	2004917362	BQBYASNOMLLRBB-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
CN(C[C@H]1CCCO1)c1ncccc1B(O)O	2004935336	NEEAQKGTWLNKEU-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CN(C)CCOCc1ccc(F)c(B(O)O)c1	2007005251	BNEPEMAGXNIAQR-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(CCO)C2)C1	2010836336	YXUQUADKOQTDLP-KOLCDFICSA-N	241.335	-0.293	50	10	BBGE	
COCCN1[C@H](C)CN(CC(=O)NN)C[C@H]1C	2013855713	AXQVLKXAPVMXAR-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC(C)(C)COc1ncc(F)cc1B(O)O	2014929908	RMJJDAGHZJVSGJ-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC#CB(O)O)[C@H]1C	2021156984	GBDGHSZTUAXPBY-QEYWKRMJSA-N	239.080	-0.823	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC2(C)C)n1	2023145876	XQCXOMQUEUCPEF-MRVPVSSYSA-N	236.080	-0.049	50	10	BBGE	
NNC(=O)CCCCN1Cc2cncnc2C1	2025621624	LTIMBVBZBFSPAI-UHFFFAOYSA-N	235.291	-0.048	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)c1ccc(B(O)O)cn1	2052468045	YMPWQUPPSDCDOO-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@]2(C)C[C@H]1CO2	2052619325	DJIZZOTUMMOQEK-CMPLNLGQSA-N	248.091	-0.563	50	10	BBGE	
CCOc1c(C#N)ccc(B(O)O)c1C=O	2060185497	QWKSDXRZEGSLJV-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)c1ccccc1B(O)O	2079010384	ZJYBMLFKWFCFPU-KWQFWETISA-N	249.075	-0.869	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC=C[C@@H]1CF	2082873272	JEBBFKYRZVLJLQ-SECBINFHSA-N	249.050	-0.284	50	10	BBGE	
C[C@@H]1CCC[C@H](Cn2ccc(B(O)O)n2)O1	2210952248	FABRDZMFNUYYMC-RKDXNWHRSA-N	224.069	-0.480	50	10	BBGE	
CC[C@@H](COC)Oc1cncc(B(O)O)c1	2212564045	SMJIOFXJIKINNB-VIFPVBQESA-N	225.053	-0.435	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H](O)C2(CC2)C1	2215770514	CCJLVWIXFVDJKZ-BBBLOLIVSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@H]2C1=O	2215774161	WARSIBIWWCEJMT-WCTZXXKLSA-N	237.259	-0.993	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2CO[C@@H](C2)C1	2215776407	MOWKUPOGWXHDOK-ZRUFSTJUSA-N	239.319	-0.277	50	10	BBGE	
Cc1nc(C)n(-c2nccc(B(O)O)c2F)n1	2217161483	DBRMWKMPVKMPQL-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
CC[C@H](Nc1ncccc1B(O)O)[C@H](O)CC	2217172282	IWVMMPMTMRZPML-VHSXEESVSA-N	238.096	-0.277	50	10	BBGE	
OCC[C@H](Nc1ncccc1B(O)O)C(F)F	2217178896	CCWUOEMUIYKKLG-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)C1	2217181966	XOADBXCGQYXQGW-OCAPTIKFSA-N	234.039	-0.276	50	10	BBGE	
CC1(C)CC[C@@H](Nc2ccc(B(O)O)cn2)CN1	2223625992	GIOAHBSNGLLHJU-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
CCO[C@@H]1C=CCN(c2cc(B(O)O)ccn2)C1	2223630251	YOTBWXSDUDQWAA-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2cc(B(O)O)ccn2)CCN1	2223632354	IQPDQHWXHCTIOI-VHSXEESVSA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@]23CCNC3)c1	2223667822	SFXWMLBVVHRUEK-GFCCVEGCSA-N	247.107	-0.906	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]2c2ncon2)nc1	2223673246	FCUYGPSJZOFTKJ-QMMMGPOBSA-N	246.035	-0.904	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C1CCC1)C1CC1	2243349097	FZGWMLDQHKRIKW-NSHDSACASA-N	221.065	-0.303	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)C1(B(O)O)CC1	2243363869	NOTLRDTXPSSVHG-ZETCQYMHSA-N	227.069	-0.465	50	10	BBGE	
CO[C@H](CNC(=O)C1(B(O)O)CC1)C(C)C	2243364272	UJTUETWOHGPKGB-MRVPVSSYSA-N	229.085	-0.219	50	10	BBGE	
O=C(NCCc1cnoc1)[C@H]1C[C@@H]1B(O)O	2243392588	VEFLWQLADBZVOY-YUMQZZPRSA-N	224.025	-0.804	50	10	BBGE	
CC#CCN(C)C(=O)c1ccsc1B(O)O	2243409901	QTRWZGGLGHWFFR-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243416190	IJNQQVYBRSSAKG-HXFLIBJXSA-N	227.069	-0.874	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243753669	YEGMPAHLICBWSR-RRKCRQDMSA-N	229.041	-0.781	50	10	BBGE	
O=C(CC1CC(F)C1)NCCC#CB(O)O	2244549287	AUYNGUQYFFYAGG-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
C#C[C@H](NC(=O)c1ccoc1B(O)O)C(C)C	2247740235	IACZETLMPQEEAP-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2247740282	ILBYKOURGOMYDX-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2247750747	NRWXKOLMEHIPIS-DTWKUNHWSA-N	243.112	-0.095	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(F)c1B(O)O	2247755257	CCEPKWOGTFGUBY-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
O=C(N1CC[C@@](F)(CO)C1)C1(B(O)O)CCC1	2247756730	NIIFUXMRNHXVRL-VIFPVBQESA-N	245.059	-0.684	50	10	BBGE	
C#C[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2247757778	RTSQSFVRAOYLHS-SECBINFHSA-N	233.032	-0.899	50	10	BBGE	
O=C(NCCc1cc[nH]n1)[C@H]1C[C@@H](B(O)O)C1	2247791245	MCTMCUZPRVLGNS-OCAPTIKFSA-N	237.068	-0.679	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOCC2(CC2)C1	2247803336	AOHUQKWNDBYBOC-DTWKUNHWSA-N	239.080	-0.512	50	10	BBGE	
Cc1cccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247803389	AUVLUCYUGZPEBZ-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
COCC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2247842363	TVDGGGGGRGGVRS-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
N#CCc1cccc(NC(=O)C#CB(O)O)c1	2247848526	MYMAKGUZAMOFTE-UHFFFAOYSA-N	228.016	-0.293	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2247849504	AWDKJHPOCNSTSM-UHFFFAOYSA-N	236.080	-0.243	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]2OCC[C@H]12	2247850019	IUVAXWNSZSFBAG-OPRDCNLKSA-N	237.064	-0.924	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccncc1B(O)O	2247856759	NGFGDOIDRTUGKC-QMMMGPOBSA-N	232.048	-0.790	50	10	BBGE	
C#CCCNC(=O)c1cc(C)cc(B(O)O)c1	2247873293	AFRYRWLQDGNZOJ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CN1CC2(C1)CN(C(=O)C1(B(O)O)CCC1)C2	2247878145	LURSBOLBKPJBOY-UHFFFAOYSA-N	238.096	-0.843	50	10	BBGE	
CN(Cc1cncn1C)C(=O)[C@H]1C[C@H]1B(O)O	2247886607	DJIFPUGXSRNSSG-DTWKUNHWSA-N	237.068	-0.759	50	10	BBGE	
CN(CCCCCCN)C(=O)[C@H]1C[C@@H]1B(O)O	2247886898	HOKJDYHQANKZDT-UWVGGRQHSA-N	242.128	-0.173	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1C[C@H]1B(O)O	2247896434	GWDIDETWQXQLAG-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
CC[C@@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247899095	KKIZUBNACROJSD-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
NCCC1CC(NC(=O)C2CC(B(O)O)C2)C1	2247906674	ZSTMXUIKXBEYPY-UHFFFAOYSA-N	240.112	-0.517	50	10	BBGE	
CC(C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)CC(=O)O	2248586570	CSNMDYCNPPSXLI-RNFRBKRXSA-N	243.068	-0.534	50	10	BBGE	
COC[C@]1(C)C=CCN1CC(=O)NNC(C)=O	2248747481	YKJYBVZIKKULRA-NSHDSACASA-N	241.291	-0.569	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1cc(B(O)O)co1	2249415596	GNDNVGNOIPNELO-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1cc(B(O)O)co1	2249415930	KPRAUKVVOGAGBB-YUMQZZPRSA-N	241.027	-0.420	50	10	BBGE	
CC1(CF)CN(C(=O)c2cocc2B(O)O)C1	2249416266	OZABCGZNUSOCMN-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
CON(CC1CC1)C(=O)c1ccoc1B(O)O	2250997016	DNRDFMURMCIMRN-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC[C@H]3C[C@@H]32)n1	2254704942	FLEATIZEGULDIP-OYNCUSHFSA-N	249.075	-0.053	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)[C@H]1CC=CCC1	2255547889	JIKSXAFGYXKVAQ-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1C[C@H]2CCCC[C@@H]21	2255555006	UZPZJXVPJJMWBU-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
CCn1nc(C)c(CNC(=O)C#CB(O)O)c1C	2255672339	FJNIUSNKXNDGOU-UHFFFAOYSA-N	249.079	-0.849	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1Cc2cncnc2C1	2255804256	AUWXBMNOIRBQBZ-UHFFFAOYSA-N	247.063	-0.428	50	10	BBGE	
C#CCCC(=O)NCc1ccc(B(O)O)cc1F	2257482959	ZBYNJJUEDCTNMH-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2258139296	VFLNPYOPYQHXDQ-VROVMSAKSA-N	249.075	-0.170	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H]3C[C@@H]2CO3)n1	2298273326	RBSIEJFTGRTPBD-AEJSXWLSSA-N	236.080	-0.622	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368844	ADRIWVBKZMGSAV-QCLAVDOMSA-N	238.096	-0.894	50	10	BBGE	
C[C@@]12CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@]1(CO)C2	2298371161	BFXNKDFIUZKQQK-OYBPUVFXSA-N	239.080	-0.920	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371620	QDHUVXIOEKVXEF-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1N(C)C	2298376772	NNBGUNSNSRKZGK-QCLAVDOMSA-N	240.112	-0.742	50	10	BBGE	
CN1CC(N(C)CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300380857	PRBPTFZYZVPMMU-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](O)C2(CC2)C1	2302059002	HTHIKNNBWGGLLH-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN(C)C)N(C)c1ccc(B(O)O)cn1	2306851727	BCUZKCVEVNXAAL-SECBINFHSA-N	237.112	-0.852	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)ncc1B(O)O	2309538922	DNPZGJOILIBNTQ-KBIXCLLPSA-N	245.091	-0.691	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@@H]2CNCC[C@@H]21	2312613499	IZHZNGGCQZQQLN-YWVKMMECSA-N	248.091	-0.862	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2317352013	RMCGDLCCNOLBPJ-PRHODGIISA-N	249.075	-0.862	50	10	BBGE	
CNC[C@@H]1CCCN(CCCC(=O)NN)C1	82471266	RBZHWYFKMKYTBD-JTQLQIEISA-N	228.340	-0.312	50	10	BBGE	
C[C@@H](Oc1ccccc1CO)C(=O)NN	82505799	CWYGBWOEKPSIRV-SSDOTTSWSA-N	210.233	-0.064	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)N1CCOCC1	83212988	CGSOUGHZYMYUTR-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
C[C@@H](Sc1n[nH]c(N)n1)[C@H](C)C(=O)NN	86314054	IHRQWWMVTAJEIZ-IUYQGCFVSA-N	230.297	-0.507	50	10	BBGE	
CN1CCN(Cc2occc2C(=O)NN)CC1	111236798	LMDGIJFUUVCJHH-UHFFFAOYSA-N	238.291	-0.370	50	10	BBGE	
O=C1CNC(=O)N1C[C@@H](O)CBr	156248062	BFBIYTBDDIEJEN-BYPYZUCNSA-N	237.053	-0.706	50	10	BBGE	
N#Cc1cccn1C[C@@H]1CC[C@H](C(=O)NN)O1	160512591	CKZKXDBBLOPPNQ-VHSXEESVSA-N	234.259	-0.103	50	10	BBGE	
Cn1cc(OCC(C)(C)C(=O)NN)cn1	161338363	IPJXRYXVWSJYLW-UHFFFAOYSA-N	212.253	-0.185	50	10	BBGE	
O=C(O)CCCc1ccc(B(O)O)cc1	201923450	GKUYDOVOSQZMKF-UHFFFAOYSA-N	208.022	-0.226	50	10	BBGE	
CN(C)CCOc1ccc(B(O)O)c(F)c1	203556561	XDRNZPOTDFJOEQ-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCO[C@@H](C)C1	216478132	LKHRPMQCPFTQOD-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H](C)C1	219251822	DXRTUCZVYSCLHP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CNC(=O)[C@@H]1CCCN([C@@H](C)CC(=O)NN)C1	232300922	QIUXIKXWCAUKFY-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
COC(=O)[C@@H](Br)CNN(C)C	234587884	YSWUNVMBTSZDFR-YFKPBYRVSA-N	225.086	-0.011	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1cccc(F)c1	259139484	TUCDWHFLKLLHLK-VIFPVBQESA-N	211.240	-0.054	50	10	BBGE	
CSSCCNC(=O)C(=O)C(=O)O	308315710	WOVDXPQOAKSLND-UHFFFAOYSA-N	223.275	-0.233	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1	381596985	MBINVVVYEFHITE-CSMHCCOUSA-N	211.265	-0.458	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C/C=C\CCl)C1	389218382	LRLHBKZLIGZSLR-IYABHPQVSA-N	218.684	-0.297	50	10	BBGE	
C[C@@H](O)CN=c1[nH]c(CCCl)nc(=N)[nH]1	389577444	FJVBRCFTBCAYHG-RXMQYKEDSA-N	231.687	-0.720	50	10	BBGE	
COc1ccc(C(F)(F)F)c(B(O)O)c1N	390138172	NCUQRXXAALBXJA-UHFFFAOYSA-N	234.970	-0.024	50	10	BBGE	
OCc1ccc(B(O)O)c2sc(O)cc12	396366105	BPVBJGMGFZJNMV-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSCCC(N)=O)O1	399150415	FUIIMASTBJQAAZ-RNFRBKRXSA-N	247.320	-0.868	50	10	BBGE	
C[C@@H]1COCCN(Cc2ccccc2B(O)O)C1	399561866	DVAKEPPOALYNEK-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)n2)co1	405011378	QNLKJGFWLKBDMF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)NN	687454437	QMTHLIZJFHBTNS-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CC(N)=O)C1	690742524	XMHFIKDRIDVNRP-SCZZXKLOSA-N	242.323	-0.802	50	10	BBGE	
COC[C@@H](OC)C(=O)N1CCC(O)(C#N)CC1	691189194	ORNWRVXWDCXILV-SECBINFHSA-N	242.275	-0.475	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2C[C@]2(C(=O)O)C1	693336037	WVMUSBKSNLZLHV-MUWHJKNJSA-N	213.237	-0.421	50	10	BBGE	
CN(C)C[C@H](Cl)CN(C)Cc1nnnn1C	697757575	ZAHHUMNVPRRSQE-QMMMGPOBSA-N	246.746	-0.189	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700560020	PPETXXLQTQAAGY-IUCAKERBSA-N	249.286	-0.948	50	10	BBGE	
Cc1nn(Cc2ccccn2)c(C)c1B(O)O	703652247	WGVDHKFIZYLDDI-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
C[C@@H]1CCN1CCOc1cccc(B(O)O)c1	706818917	ZGEICRCOTPTCIE-SNVBAGLBSA-N	235.092	-0.161	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCn1cccn1	707430942	NXCRJJXYMLFMBG-ZJUUUORDSA-N	239.323	-0.171	50	10	BBGE	
C[C@H](c1cnn(C)c1)N(C)CC(=O)NN	710157063	KEQGHRMGHMNTNW-SSDOTTSWSA-N	211.269	-0.597	50	10	BBGE	
CCOCC(=O)N1CCc2cccc(B(O)O)c21	712206028	QKPUVPJMMTYSRU-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
OB(O)c1cnc(Cl)n1[C@H]1CCCCO1	716027751	GZXMWAMAHZOFII-SSDOTTSWSA-N	230.460	-0.085	50	10	BBGE	
CNCCN(CC(=O)NNC(C)=O)C(C)C	720746177	FQRWQZHKEMFHIB-UHFFFAOYSA-N	230.312	-0.917	50	10	BBGE	
O=S(=O)(CCl)N=S1(=O)CCNCC1	725261062	JIMRYXFKLIWSKP-UHFFFAOYSA-N	246.741	-0.416	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1=NCC=C1	725691056	RDKRNMDHKAYNJB-UHFFFAOYSA-N	230.032	-0.684	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21)C1CC1	780321062	UXCVLZULTYBJKP-YIZRAAEISA-N	224.260	-0.031	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)[C@H]1CCCO1	817214953	UQYHBLCTWONPEW-HTQZYQBOSA-N	230.264	-0.262	50	10	BBGE	
C[C@H]1CC(=NNC(=O)c2cn(C)nn2)CO1	853382788	JRQUDOTZXFDENG-LURJTMIESA-N	223.236	-0.290	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)N(C)C	858906453	BXPUSSOKCBSTAI-UHFFFAOYSA-N	225.252	-0.506	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C	864992302	GPICGPOLWBWEFT-RRKCRQDMSA-N	215.253	-0.240	50	10	BBGE	
C[C@@H]1N[C@H](NCCCl)C[C@H]2NNC(=O)N12	953055360	FOWVDHSAXKRXIF-VQVTYTSYSA-N	233.703	-0.664	50	10	BBGE	
COC[C@H](C)C=NNC(=O)C(=O)OC	1116248091	CDSUXWIXXACNEV-ZCFIWIBFSA-N	202.210	-0.456	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C[C@H]1COC(=O)C1	1163316519	JYKAQLFLRALZAP-HTQZYQBOSA-N	230.264	-0.717	50	10	BBGE	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cnn[nH]1	1293054446	HNYFECJWLVXXCS-ZCFIWIBFSA-N	229.215	-0.440	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NN(C)C(N)=O	1320953937	RVTYFGPRHBYGGP-RQJHMYQMSA-N	215.253	-0.299	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCn2cncc2C1	1583197715	LWIXETZWYPPQHX-SSDOTTSWSA-N	237.263	-0.594	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc(C(N)=O)o2)n1	1651001521	YHCCKDOGRDADIB-UHFFFAOYSA-N	249.230	-0.131	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC1CC(Cl)C1	1884412571	RKPBGXUZSXZAAS-RRQHEKLDSA-N	219.716	-0.239	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)NC1CC(Cl)C1	1884550567	HIZQUUQFVWFEJT-KPGICGJXSA-N	220.700	-0.029	50	10	BBGE	
COC[C@H](O[C@H]1CC1(F)F)C(=O)NN	1885984250	OSIDXNLJUKDWMI-WHFBIAKZSA-N	210.180	-0.585	50	10	BBGE	
N#C[C@@H](Cl)CN1CC([C@H](O)CO)C1	1887273449	LBZDIUMULQLAFM-HTQZYQBOSA-N	204.657	-0.598	50	10	BBGE	
Cc1c(B(O)O)cc(C=O)cc1C(=O)O	1887518986	BVVIRXBXRLICON-UHFFFAOYSA-N	207.978	-0.814	50	10	BBGE	
CNC(=O)NN(C)S(=O)(=O)C1CC1	1888555301	XFDGWGAABIDYRV-UHFFFAOYSA-N	207.255	-0.746	50	10	BBGE	
N[C@H](C(=O)NC[C@@H]1C[C@@H]1Cl)C1COC1	1893128115	MRHQQGIUVFUTAD-GEVIPFJHSA-N	218.684	-0.296	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C[C@@H]1C[C@H]1Cl	1893136295	GHKPQBPVRIHTIB-RNJXMRFFSA-N	218.684	-0.200	50	10	BBGE	
C[C@@H](O)CNc1ccc(B(O)O)cc1C#N	1901199080	GIPPANJDMZYMLO-SSDOTTSWSA-N	220.037	-0.969	50	10	BBGE	
CCN(C)C1CN(CC(B(O)O)=C(C)C)C1	1901711726	WAMNDWIZHBUQFF-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	1902364501	JESAMYBRYZZDBW-JTQLQIEISA-N	217.033	-0.119	50	10	BBGE	
Cc1cnn(CCN2CC[C@@H](B(O)O)C2)c1	1902505064	CUBAQCLAVDFVEM-SNVBAGLBSA-N	223.085	-0.260	50	10	BBGE	
C[C@H](O)[C@@H](C)Sc1cc(B(O)O)c(F)cn1	1903005662	JSFHYZBRQOJGSV-NTSWFWBYSA-N	245.084	-0.238	50	10	BBGE	
C#CC(=O)NN(CCO)C(=O)OC(C)(C)C	1923449560	RLYQTAVPJXWCMB-UHFFFAOYSA-N	228.248	-0.120	50	10	BBGE	
CCO[C@@H](C)n1nc(C)c(B(O)O)c1C	1927939657	JLWDOZWKYMOATA-QMMMGPOBSA-N	212.058	-0.265	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@H]21	1928179589	RKNIVKYKGHYYTB-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
N#CC1(O)CCN(c2nccnn2)CC1	1929015519	BOBVZKYLIHTCIG-UHFFFAOYSA-N	205.221	-0.274	50	10	BBGE	
O=C(NNCCO)c1c(O)cccc1O	1929836577	LQDVWWXYJGAWQA-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
Cc1nc(=N[C@@H]2COC[C@H]2Cl)n(C)[nH]1	1930283941	VHVOAYZSPKUUFY-RNFRBKRXSA-N	216.672	-0.036	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](N=c2nc[nH]n2C)C1	1930292486	AIXZBMQRYPPCKS-RNFRBKRXSA-N	215.688	-0.430	50	10	BBGE	
O=C(NC[C@@H]1COC[C@H]1Cl)c1cnn[nH]1	1933388877	IUANOFADKPCEGF-PHDIDXHHSA-N	230.655	-0.212	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1OCCC1(C)C	1933516390	MKSZGYUVJALJPQ-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CC(F)(F)C(=O)NN	1935928965	MPKODUISYMFKEF-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1SCCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936093679	GQPCJGDOXRPFAL-RNJXMRFFSA-N	243.332	-0.424	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSCC(=O)NC1CC1	1936093774	HIDAIZKJDCNPMX-SVRRBLITSA-N	243.332	-0.376	50	10	BBGE	
CS[C@H]1CCCN(CCOCC(=O)NN)C1	1936530072	PHZMGWQBBNOVAR-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1C[C@@H]1C[C@@H]1C(=O)NN	1941085904	GCFUMZRBDHMIQY-BQBZGAKWSA-N	239.235	-0.274	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1CC[C@@H]2O	1941289956	CFPHREQBCSTHMW-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)OCC[C@@H]1C	1944024179	MOFDTYGORSYCLK-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1c(C)cnn1C	1945336971	JNAUSJMUTVBNJT-VIFPVBQESA-N	239.323	-0.071	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@@H](O)[C@H]2C1)C(=O)NN	1946111482	XSNYARYOSAYXIQ-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)N1CCC[C@@]12CC[S@@](=O)C2	1955271993	XFSHCMXELJUAIG-RMLUDKJBSA-N	217.294	-0.443	50	10	BBGE	
CCCOC1CN(CCC(=O)NN)C1	1955279613	CNYFUSVOSFRLSN-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)C[C@@H](C)C1	1976441016	LEHXOVVWCCKKGV-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C(=O)NN)CCO1	1977313525	LIDXOKUKWVTBRN-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[C@@H]1CO	1978944609	MCCNPGUUFOFPGM-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)CC12CCC2	1980722660	LPOPRPXQXORZKN-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1[C@H](C)C(=O)NN	1980856430	SNXAZECYVBHENQ-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
CCC[C@@H]1CCN1c1ncncc1B(O)O	1981415671	HLCGPZGQSJTTRW-MRVPVSSYSA-N	221.069	-0.465	50	10	BBGE	
C[C@@]1(C(F)(F)F)CC(=O)N(CC(=O)NN)C1	1982229366	YCCAAZNYFBKJDC-SSDOTTSWSA-N	239.197	-0.223	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1984543674	VWXYUUOVTLMLPG-DTWKUNHWSA-N	227.308	-0.542	50	10	BBGE	
N#CC1=CCN(CC(CO)(CO)CO)CC1	1984601707	QYIAIJIKFLWDIF-UHFFFAOYSA-N	226.276	-0.895	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12CC(C)(CO1)C2	1990325644	UWTDKYGPNJRVIV-MFAVDMRSSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)N[C@@H]1CCC=C1B(O)O)N(C)C	1991331320	ZMEKAUZVYSSXOS-VXNVDRBHSA-N	226.085	-0.847	50	10	BBGE	
CC1CC(CO)(N(C)C[C@H]2C[C@H]2C(=O)NN)C1	2000584416	BQNOBZVXTCLXER-WDHPUFTPSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(n2ccnn2)C1	2003858372	HVCGRJNRSGFVKY-VIFPVBQESA-N	238.295	-0.707	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](CCF)C2)nc1	2004916479	LXTPXTFCNRGWSM-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ncccc1B(O)O)C2	2004936024	TXFFXBSHNARCME-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@@H]1CCCO1	2008844386	NBDHMXZTQGHUAY-VIFPVBQESA-N	237.064	-0.903	50	10	BBGE	
COC(C)(C)CCn1cccc(B(O)O)c1=O	2008845090	WSOINBQHCZCKBB-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
CN(Cc1occc1C(=O)NN)[C@H]1C[C@H](O)C1	2009405166	WAVLYPBTYMPRIV-ZKCHVHJHSA-N	239.275	-0.162	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@@H]2C[C@H]21	2014931187	YPYLVPUQDBIACO-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2cc(O)nnc2C1	2025566803	DEPUTPSCZXMVAL-QMMMGPOBSA-N	237.263	-0.734	50	10	BBGE	
CN(Cc1cccnc1)c1ccc(B(O)O)cn1	2052470685	HHAYDKVMLZKWPR-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
CN(Cc1ccn(C)n1)c1ccncc1B(O)O	2052493802	FSTCGCSQTCJQBZ-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CC=CCO2)C1	2052495183	XJLHQHACNIWDDD-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
CCOc1c(B(O)O)ccc(OC)c1OC	2060044308	GXEJHTGYYVBRBV-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
O=Cc1ccc([N+](=O)[O-])c(Cl)c1B(O)O	2060133520	CSGHGVOSHMCUPR-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COc1c(C=O)ccc(Cl)c1B(O)O	2060133737	IQZFKTSFCLPGAB-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COC1(CNC(=O)c2ccccc2B(O)O)CC1	2079009203	PTKRAPWHRJNXEQ-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
C=C(CN1[C@H]2CCC[C@H]1CN(C)C2)B(O)O	2210730148	ASAPBBLIELUBDA-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1ncccc1B(O)O	2212601946	WIFSVUMJDXLVNA-DTWKUNHWSA-N	221.069	-0.947	50	10	BBGE	
CN(CC1(F)CC1)c1cc(B(O)O)ccn1	2212611090	UUEBAIIFIANUBU-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCN1	2214603009	SSDRJTMXALCSLA-GFCCVEGCSA-N	234.108	-0.840	50	10	BBGE	
CN1CCC[C@H](COCCOCC(=O)NN)C1	2214885377	DDUBLBWKZYGQQM-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215776109	KXAOUOMRNHHTPH-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
N#C[C@]12CN(CCCC(=O)NN)C[C@@H]1CCO2	2216068007	JXQADRSFZQYKNM-ONGXEEELSA-N	238.291	-0.629	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)c(C)cn1)[C@H](C)N	2217174745	YCADKYIGYIQXRJ-WCBMZHEXSA-N	238.096	-0.426	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1Nc1ccc(B(O)O)cn1	2217177258	HGCXSEIWXFPASO-IUCAKERBSA-N	236.080	-0.667	50	10	BBGE	
CO[C@H](C)CN(C)c1nccc(B(O)O)c1F	2217180996	MVMIJJKKDWFGRU-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
Cc1cnc(N2CC(C)(C#N)C2)cc1B(O)O	2217181478	QHEAHKDGNQLJGL-UHFFFAOYSA-N	231.064	-0.580	50	10	BBGE	
C#C[C@H]1CCCN1c1cc(B(O)O)c(C)cn1	2217183401	KZPRYZUXXYZDNB-JTQLQIEISA-N	230.076	-0.328	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]2CF)c1F	2217183920	PBAIDUGCDXWJNS-NKWVEPMBSA-N	242.034	-0.082	50	10	BBGE	
Cc1cnc(N[C@H]2COC[C@H]2F)cc1B(O)O	2217184490	PGGHKWXCRJDISE-BDAKNGLRSA-N	240.043	-0.781	50	10	BBGE	
NCC[C@H]1C[C@@H](Oc2ncccc2B(O)O)C1	2217184940	SLKUIJXBUAZSNT-DTORHVGOSA-N	236.080	-0.732	50	10	BBGE	
N[C@H](COc1cc(B(O)O)ccn1)CC1CC1	2217192295	HGWWMGWIDILBIR-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
CCOC1(CNc2cc(B(O)O)ccn2)CC1	2217199477	MPNGYMHEMKPTFW-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@]3(F)C2)c1	2217204433	JQOQWEPAQZFWOH-KWQFWETISA-N	236.055	-0.300	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2CC[C@H]1C2	2217357815	IAMHFLPAZRORJA-OYNCUSHFSA-N	234.064	-0.276	50	10	BBGE	
CN1CCC[C@]1(C)CNc1ccc(B(O)O)cn1	2223665574	BWZGONCVTYXOFK-GFCCVEGCSA-N	249.123	-0.342	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cn(C)cn1	2223672139	DJWLSSCVISQBOD-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
CC1(C)C[C@H](SCC(=O)NN)CN1	2242249288	VMVWWZINMJHGTL-LURJTMIESA-N	203.311	-0.150	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2242807336	DVFNXJNTLXIQEZ-NGZCFLSTSA-N	227.308	-0.398	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(B(O)O)s1	2243348887	BKABQPRYHALPTI-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
O=C(C#CB(O)O)N1CC2(CCCCC2)C1	2243349043	DZZWTOLXCAXRHO-UHFFFAOYSA-N	221.065	-0.206	50	10	BBGE	
COC[C@H](CNC(=O)C#CB(O)O)C(C)C	2243350315	ZCUJKCJUCCZDLC-VIFPVBQESA-N	227.069	-0.963	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1=O	2243382058	LCBRZKCFUWACFK-BIIVOSGPSA-N	225.053	-0.366	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H](O)C1	2243391024	FLIMCFYZUFEMJF-AMDVSUOASA-N	227.069	-0.777	50	10	BBGE	
CCN(C(=O)C#CB(O)O)[C@@H]1CCCOC1	2243400241	XXVYUKBXCJNRIQ-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CCc1cnc(CNC(=O)C#CB(O)O)s1	2243400729	HCKZZRXASANNSW-UHFFFAOYSA-N	238.077	-0.663	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](CCF)C1	2243401395	QLOFGPQZISMVSK-VIFPVBQESA-N	227.044	-0.400	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccoc1B(O)O	2243407797	ABVMNFFDDPOBNL-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
CCNC(=O)c1cc(F)c(B(O)O)cc1Cl	2243478420	YXWBZSDTIGYSKZ-UHFFFAOYSA-N	245.446	-0.091	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)C1CC1	2243584299	KCYOMHASVUVZDH-UHFFFAOYSA-N	224.000	-0.751	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2247731978	BOCIVOCQIRYUFZ-BDAKNGLRSA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCN1C	2247736317	UTXBNNWPYKHSQK-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C[C@H](c1ccccn1)N(C)C(=O)C#CB(O)O	2247743877	KWJWNPHAWIYVKQ-SECBINFHSA-N	232.048	-0.384	50	10	BBGE	
CN(Cc1ccccc1O)C(=O)C#CB(O)O	2247747629	QBZHDJVLVZDKCV-UHFFFAOYSA-N	233.032	-0.634	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@H]2C1)C1(B(O)O)CC1	2247757616	QVKBYXJMVHDMTF-DTWKUNHWSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247758986	XZYYQXVHRLPHTD-BDAKNGLRSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1occc1B(O)O	2247759009	YVHPHWAJLBAOOY-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
O=C(NC1C[C@H]2C=C[C@@H](C1)O2)[C@H]1C[C@H]1B(O)O	2247792405	SFICYTMZLKNPBS-QCHRWEISSA-N	237.064	-0.549	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247797792	MVJHKOVBDNNGHQ-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)C1CC(B(O)O)C1	2247800551	QBFAMSFKKLOKBW-DKEVHCRPSA-N	240.112	-0.552	50	10	BBGE	
CC1(C)CNCCN1C(=O)C1CC(B(O)O)C1	2247800650	REPJUNRVPCZBFC-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CCOC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247801020	WCHUQKIVZAPRDZ-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)CC12CC2	2247804381	GWSJHOMPQVLLQK-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
Cc1nc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)oc1C	2247808856	WKPMSTJGTNWRBR-SFYZADRCSA-N	238.052	-0.229	50	10	BBGE	
O=C(C#CB(O)O)NCCOC1CCCCC1	2247850015	IUQLBZWROHUVPW-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850355	NHKHCDSEYYSMQB-SFYZADRCSA-N	236.080	-0.530	50	10	BBGE	
COCC1CC2(CCN2C(=O)C#CB(O)O)C1	2247850598	QIWCTFMSWOCNRH-UHFFFAOYSA-N	237.064	-0.971	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)C1(B(O)O)CC1	2247853067	FXTCRLKFVZANGW-YIZRAAEISA-N	239.080	-0.465	50	10	BBGE	
C=CCONC(=O)c1ccc(F)c(B(O)O)c1	2247868039	PKPABLPGIMTIPT-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C(=O)C1(B(O)O)CCC1	2247878406	OEWXMNYCKVOZTP-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@H]1COC2	2247887031	JJFSKDNGRZFOLF-AXTSPUMRSA-N	239.080	-0.371	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895517	AIMWEWGRFSXLIF-BDAKNGLRSA-N	235.052	-0.495	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCO1	2247898345	CPTOULSGHJYNNC-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
C=CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248589288	OKEYORWSKSTHIG-KAVNDROISA-N	241.052	-0.615	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCn2cncc2C1	2249735520	CDRUCOXKHXCVLC-BDAKNGLRSA-N	235.052	-0.912	50	10	BBGE	
CCCC1(Oc2cc(B(O)O)ccn2)COC1	2250812922	RRBKDFJNDHRBQK-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1c(F)cccc1B(O)O	2255508575	BFUODWAQHAGVIT-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
O=C(NC1CCC=CCC1)c1cc(B(O)O)n[nH]1	2255550564	YAPXGJDDQUOSHL-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1coc(B(O)O)c1	2255731264	COZFWMCQPVCIFX-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CC#CC(=O)N1CCc2ccc(B(O)O)cc2C1	2256601518	RBEBURZDWFTJJO-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cocc1B(O)O	2258127546	JUMLKVPSSKBZQE-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
C=CCC(=O)NCc1ccc(OC)c(B(O)O)c1	2264091930	AHWIAZLELKGCGF-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2CC(F)(F)C(=O)NN	2298004594	IMOVKMOAKKRITK-ZXFLCMHBSA-N	249.261	-0.543	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369023	GJJBVGJBNMASCX-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2OCC[C@@H]2C1	2298371347	IZEKEENCEAHJLY-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2298374774	MCCLQECUSXOKAS-XAVMHZPKSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376715	KPENTUHOPLDZGF-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298376954	YWOXCLBWZJBMSI-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H]2CCN2C)n1	2298953514	TWKMYUOIXDFHBW-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC[C@H](O)CN(C[C@H](O)CC)[C@H](C)C(=O)NN	2299140081	NUVQEMRKLRYINR-BBBLOLIVSA-N	247.339	-0.791	50	10	BBGE	
C#CCCOC(=O)Nc1ncccc1B(O)O	2300756415	CIVNAVJOORCVRL-UHFFFAOYSA-N	234.020	-0.667	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCO2)cc1B(O)O	2301419763	UUOWKTBQYSGCQE-JTQLQIEISA-N	235.048	-0.620	50	10	BBGE	
Cn1cc(CCN2CC[C@](C)(B(O)O)C2)cn1	2303123410	KPPNXUWUFNTZLF-NSHDSACASA-N	237.112	-0.099	50	10	BBGE	
OCC1(CN2CC[C@H](B(O)O)C2)CCOCC1	2303160144	UEDTZPGBDPCUSQ-JTQLQIEISA-N	243.112	-0.676	50	10	BBGE	
CC[C@](C)(Cn1ccc(O)cc1=O)C(=O)NN	2303436577	DEJXNKMQCWLTHN-LLVKDONJSA-N	239.275	-0.040	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]c1	2312612377	UOFZBMGYERJIQH-GDPRMGEGSA-N	248.091	-0.837	50	10	BBGE	
Cc1cn([C@H]2C=C(C#N)[C@@H](CO)O2)c(=O)[nH]c1=O	3618175	CTKYKXZRHGLZHV-RKDXNWHRSA-N	249.226	-0.815	50	10	BBGE	
NC1CCN(CC(=O)NNc2ccccn2)CC1	36753907	GBPUHQWCLACBSQ-UHFFFAOYSA-N	249.318	-0.052	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	37834219	WMZKFSYQBDIGKM-HSUXUTPPSA-N	220.656	-0.939	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)C(=O)N(C)C	42576102	GXDMTPYOEQCLHV-RXMQYKEDSA-N	235.671	-0.472	50	10	BBGE	
N=C(N)c1ccc(-n2ccnc2C(=O)NN)cc1	75848598	UQDQWRFXYNXPLR-UHFFFAOYSA-N	244.258	-0.240	50	10	BBGE	
COC(=O)/C(C#N)=C1\N(C)N=C(SC)N1N	82306466	KKFSYNHLWIKEAO-AATRIKPKSA-N	241.276	-0.350	50	10	BBGE	
C[C@H](Oc1ccccc1C(N)=O)C(=O)NN	82464230	YIPICEXZKLBQKT-LURJTMIESA-N	223.232	-0.457	50	10	BBGE	
CN(C)S(=O)(=O)NCCOCCCl	83212326	FAXAKYKLNXODNY-UHFFFAOYSA-N	230.717	-0.362	50	10	BBGE	
CC[C@H](Br)C(=O)NC(CO)CO	83692296	FARWNXLTWYYYEJ-LURJTMIESA-N	240.097	-0.371	50	10	BBGE	
Cc1cc(Cn2cnc(C#N)n2)oc1C(=O)NN	110603436	IHTVEIRDPGLRGC-UHFFFAOYSA-N	246.230	-0.297	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)CCCC(=O)NN	134790038	RXLFYSUCDFEZKK-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CO[C@@]1(CNS(=O)(=O)CCl)CCOC1	159330797	AWOINBVUVUISJB-SSDOTTSWSA-N	243.712	-0.092	50	10	BBGE	
CC1(C)COC(c2cccc(B(O)O)c2)=N1	196729748	XMKQYLWGGWZFBR-UHFFFAOYSA-N	219.049	-0.078	50	10	BBGE	
CC[C@H]1COCCN1Cc1cccc(B(O)O)c1	199008957	DAWOEDSHGLKVIM-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)C(=O)NN)C1	235587707	XJKHMJHUBVSTNU-JGVFFNPUSA-N	213.281	-0.081	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCCN1C	300017857	DNWMRLZQVGRFDZ-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
O=C(CBr)N1C[C@H](O)[C@@H](CO)C1	306322184	BYUCBIBHCUFMRD-RITPCOANSA-N	238.081	-0.807	50	10	BBGE	
N=C(N)Nc1ccc(C=NNC(N)=O)cc1	309190560	NJJWHBOFTIIURV-UHFFFAOYSA-N	220.236	-0.006	50	10	BBGE	
OB(O)c1cc(OC2CCOCC2)cnc1F	310117102	ADTKNSPWOAGSDP-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
COC[C@H](C)CN(C)C[C@@H](C)C(=O)NN	380115552	PIEYMJQCHAOBST-RKDXNWHRSA-N	217.313	-0.173	50	10	BBGE	
CO[C@@]1(C)CCN(Cc2cccc(B(O)O)c2)C1	381307799	CESKJQRGEXGYBP-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)c1coc(Cn2ccccc2=O)n1	386750057	GGUDWILOWXVXOJ-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
OB(O)c1ccc(C2CCOCC2)nc1F	390380590	ZIRCERAMSYYRSC-UHFFFAOYSA-N	225.028	-0.206	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1CN(C)CC2)C(=O)NN	394368137	WKEIKPABIKLWMB-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1cnnn1C	394920133	MGBQRFIKLUIFCM-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cnn[nH]1	404907229	FJDORNVQHVZZLY-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cn1c(=O)ccn(CCBr)c1=O	575521904	RMWHOIGZTRYDJI-UHFFFAOYSA-N	233.065	-0.058	50	10	BBGE	
N=C1N[C@H]2CC[C@H](Cl)N[C@H]2[C@@H](O)N1	605657965	ORCXFNAHNQAHRT-SLPGGIOYSA-N	204.661	-0.882	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](CO)CC[C@H]1C	688756685	VDEVRZPYKSWORT-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCO)C(C)(C)C	689987137	GGSKRAMBYQBMDL-MRVPVSSYSA-N	233.312	-0.916	50	10	BBGE	
C[C@H]1SCCN(CC(C)(C)C(=O)NN)C1=O	691049225	IWYRYIBLZBHZDJ-SSDOTTSWSA-N	245.348	-0.034	50	10	BBGE	
COCCC(=O)N1CCC(O)(C#N)CC1	692098290	UAORNHQAVHXNOU-UHFFFAOYSA-N	212.249	-0.100	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C#N)CC1	693913126	UHHGBAPPLUZRBA-SECBINFHSA-N	226.280	-0.773	50	10	BBGE	
C[C@H](CC(F)F)Cn1ccc(B(O)O)n1	694228876	NEOSGPQMUGXPAN-ZCFIWIBFSA-N	218.012	-0.146	50	10	BBGE	
Cc1cc(Cl)c(C(=O)NCB(O)O)cn1	702016900	AUIMDJGWPFCEOH-UHFFFAOYSA-N	228.444	-0.215	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CCC[C@H]1O	703477236	VHQWPPLIHBLKDD-JQCXWYLXSA-N	225.244	-0.184	50	10	BBGE	
CNNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	704644485	MAMYYQPVONLEPL-MUWHJKNJSA-N	229.305	-0.309	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCn1cccn1	707434065	DOFUJVYSMDGRGT-SECBINFHSA-N	225.296	-0.417	50	10	BBGE	
C[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@@H]1CO	708129561	NNWMXUYZUBRVLO-OPRDCNLKSA-N	243.351	-0.049	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](C)CO	708460498	PWJGUFFBUZQDQO-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COCC[C@H]1O	710956498	VWSPARFBWDOEFS-NTSWFWBYSA-N	229.685	-0.748	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)CCO1	721484113	PTODORVNFKJTMW-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
CNC(=O)N1CCN(C[C@H](O)CCl)CC1	721656917	VTLFMORWSPRIAR-MRVPVSSYSA-N	235.715	-0.457	50	10	BBGE	
C[n+]1cc(-c2n[nH]cc2[S@@+]([O])(=O)Cl)[nH]n1	725710745	ULXNGZHNDVTSCV-HNNXBMFYSA-O	248.675	-0.018	50	10	BBGE	
CS/C=C\C(=O)NNC(=O)[C@H]1COCCO1	751585010	GKJJUGARBOPDNL-BIPIGHIPSA-N	246.288	-0.574	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnn[nH]1	772859475	OTJMIQIGNDLWMB-RQJHMYQMSA-N	237.263	-0.142	50	10	BBGE	
CC[C@H](NC(=O)NNC(=O)CO)C(F)(F)F	787491180	LNASOCMIHZMBTC-BYPYZUCNSA-N	243.185	-0.350	50	10	BBGE	
CC(C)OC(=O)NNC(=O)[C@H]1CCNC(=O)C1	844149444	OVLREMAMOLXVSD-ZETCQYMHSA-N	243.263	-0.322	50	10	BBGE	
CC[C@H](C)C(=O)NNC(=O)c1cn(C)nn1	855184436	CRMAXKUBLDWDDQ-LURJTMIESA-N	225.252	-0.378	50	10	BBGE	
CCOCC(=O)NNc1nnc(C)n1C	856052033	DXOVXSJBNPXECD-UHFFFAOYSA-N	213.241	-0.397	50	10	BBGE	
Cc1nn(CC(C)(C)F)c(C)c1B(O)O	886014117	IPXXEBPFPTUSPP-UHFFFAOYSA-N	214.049	-0.072	50	10	BBGE	
O=C(CO)NNC(=O)C1(Nc2ccccc2)CC1	897312322	CVKUTABUCSSLAI-UHFFFAOYSA-N	249.270	-0.229	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCOC1)c1ncon1	1134614315	JAMFYBGXYNWVOQ-ZCFIWIBFSA-N	240.219	-0.743	50	10	BBGE	
COc1c(C(=O)NN(C)C(N)=O)ccnc1F	1151331336	SWHCXAIOLDJUML-UHFFFAOYSA-N	242.210	-0.115	50	10	BBGE	
Cc1cncn1CC(=O)N1CC[C@@H](B(O)O)C1	1329214631	JLDRCDZOLPZTOK-SECBINFHSA-N	237.068	-0.733	50	10	BBGE	
Cn1nncc1NNC(=O)C(C)(C)c1cnc[nH]1	1331133358	VLEAVUNMBCVDAF-UHFFFAOYSA-N	249.278	-0.041	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)c2ncccn2)C1	1626776485	UKUQTGSSJHFFBK-QMMMGPOBSA-N	249.274	-0.811	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1ccc(CO)nc1	1628603739	IGSVRRAWWUZNBU-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
COCCN(CC(=O)NN)C(=O)OC(C)(C)C	1880022346	BDVUDIIZGBXQIN-UHFFFAOYSA-N	247.295	-0.140	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)N	1880023174	JUILCFWHKXELQN-NKWVEPMBSA-N	247.295	-0.407	50	10	BBGE	
C[C@H](CO)S(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883552593	NHYYKDOQPQPZAM-DSYKOEDSSA-N	227.713	-0.086	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)CCN1	1883634956	QHYLIMVSUVBNHG-RITPCOANSA-N	202.641	-0.428	50	10	BBGE	
O=C1CCN(C(=O)F)CCNCCN1	1887187130	XJGDEEYEWGBEAM-UHFFFAOYSA-N	203.217	-0.513	50	10	BBGE	
CN(NC(=O)CS)S(=O)(=O)C1CC1	1888562546	WXBDAUDAZMWDLC-UHFFFAOYSA-N	224.307	-0.629	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@H]1Cl)[C@@H]1CCNC1	1893118553	ITPINUJRTQBCNS-XLPZGREQSA-N	238.740	-0.105	50	10	BBGE	
CC(CO)(CO)CNC(=O)[C@H]1C[C@@H]1Cl	1893446608	PJCFLOIPOITFQN-BQBZGAKWSA-N	221.684	-0.279	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H]1Cl	1893461578	QKEPPSXUPQDPKW-FKSUSPILSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)C[C@@]12CCOC2	1894245753	WPYWHUKHMPGERV-OIBJUYFYSA-N	227.264	-0.854	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ncccc1B(O)O	1895126401	SXIBIIXSJITHSV-BDAKNGLRSA-N	220.081	-0.146	50	10	BBGE	
O=S(=O)(CCCCl)Nc1nc(O)n[nH]1	1897112203	ZEUBECWYYZXNPA-UHFFFAOYSA-N	240.672	-0.119	50	10	BBGE	
C[C@H](O)CN(C)CCC[C@H]1C[C@@H]1C(=O)NN	1900505796	HVLXUDRWJBXEHO-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
O=C=N[C@@H]1CCCCN1S(=O)(=O)C1COC1	1923191536	SHNMBMIKDCNCEJ-VIFPVBQESA-N	246.288	-0.137	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2C1=O	1927913230	HBWRXOCMZHMNCL-CWKFCGSDSA-N	209.249	-0.909	50	10	BBGE	
C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Cl	1928697220	XBPMHRBOFACDMY-RNFRBKRXSA-N	229.671	-0.241	50	10	BBGE	
CCCOCCCn1cc(B(O)O)cn1	1929778297	SFROUEGQEDUONF-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1930174567	DYIWKDCAGQSCAI-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
CN1CCCC[C@H]1C(=O)NNC(N)=O	1931433752	VLLUZHHEOUJHMM-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
CC[C@@H](COC)CC(=O)NNC(N)=O	1932154509	FMSUVRVCHPQZCQ-ZCFIWIBFSA-N	203.242	-0.251	50	10	BBGE	
COC[C@H](NC(=O)CCCl)C(N)=O	1932166942	XFQKZSOTUSRZTL-YFKPBYRVSA-N	208.645	-0.768	50	10	BBGE	
CC[C@@]1(C)CN(CC(=O)NN)CCO1	1932354103	ACAAPIHAOHSREH-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936090632	JATHIVKCHJUCML-AXTSPUMRSA-N	227.308	-0.421	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H]3C[C@@]3(CCl)C2)n1	1937042769	QPSAPWKKYBRKPB-HZGVNTEJSA-N	241.682	-0.089	50	10	BBGE	
CCCn1ccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1941088070	OQOQXZQAQNBANP-RKDXNWHRSA-N	238.291	-0.314	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)CC2(CCC2)C1	1946084267	RGRGHYCQMMVVLV-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
COC(=O)C(F)(F)c1ccc(B(O)O)cc1	1951328898	HNSRLRRIDQXGNM-UHFFFAOYSA-N	229.975	-0.369	50	10	BBGE	
COc1cc([C@H](N)[C@H](O)C#N)cc(O)n1	1953031503	OYQBQBRGCNUMQL-MUWHJKNJSA-N	209.205	-0.320	50	10	BBGE	
CN(CCCCl)[C@@H]1CC(=O)NC1=O	1954036993	NPOHBKFOZZSMSM-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CCOC1(CO)CN(C(=O)CCl)C1	1954114494	YNZRGEXULJLPDG-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CCOCC1CN(CCC(=O)NN)C1	1956385232	JDKHHJFASVWGHZ-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)C[C@@H](C)Cl	1957308765	XUDLCFMKRGHEAE-PHDIDXHHSA-N	223.656	-0.346	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1958805143	PYGVIVQWLFTYCN-XRBOHMRVSA-N	233.695	-0.044	50	10	BBGE	
NNC(=O)CN1CCCc2ncccc21	1961351982	GOGYXJMCKFDZKN-UHFFFAOYSA-N	206.249	-0.176	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H]2C[C@H]21	1961509016	OFLZPTUZKAPDFM-HLTSFMKQSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC[C@@H]1CCO	1961684292	OCJRVTZKIKMPOC-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
CS(C)(=O)=NCc1cnsc1C(=O)NN	1961921172	GSCLQUKPNLYAAB-UHFFFAOYSA-N	248.333	-0.026	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC(F)(F)[C@H]1C(=O)O	1962266645	QFESHEAOUIEBNJ-CRCLSJGQSA-N	222.191	-0.065	50	10	BBGE	
O=C1CCC2(CN(S(=O)(=O)CCl)C2)N1	1965837816	KKCZSXVJRJHFHR-UHFFFAOYSA-N	238.696	-0.523	50	10	BBGE	
CC1(O)CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	1976107845	RRIKNRWAQYUYEO-XTOKUROSSA-N	225.244	-0.184	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C[C@H](O)CCl)CC[C@H]21	1981052993	CVSAXEGIBBESQS-IWSPIJDZSA-N	247.726	-0.316	50	10	BBGE	
CSCC1CN(c2ccncc2B(O)O)C1	1981408611	CIQLRHONUAZQCY-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
OB(O)c1cnc(N(C2CC2)C2CC2)nc1	1981413228	DBIWGGRGZSTMHG-UHFFFAOYSA-N	219.053	-0.712	50	10	BBGE	
OB(O)c1csc(N2CC3(C2)CC3(F)F)n1	1981471062	GMTGRBQKLHLCFP-UHFFFAOYSA-N	246.047	-0.332	50	10	BBGE	
CN(C[C@@H]1CCCO1)c1nc(B(O)O)cs1	1981472053	NCTCDDKCRLEEIC-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
NC(=O)NCC1CN(C(=O)NC(=O)CCl)C1	1987429269	ZTWVMILQMCJLOB-UHFFFAOYSA-N	248.670	-0.939	50	10	BBGE	
OB(O)c1cc(F)cnc1OCC(F)(F)F	1988005423	ZLDJQHKPHDIGEW-UHFFFAOYSA-N	238.933	-0.158	50	10	BBGE	
CC1(C)COCC[C@@H]1CNC(=O)C(=O)NN	1988488016	ZQKXSTKAMURAQX-SSDOTTSWSA-N	229.280	-0.845	50	10	BBGE	
CN1CCC[C@@H](N(C)CCC(=O)NN)CC1	1989762274	VUAGPEQTUAJDQJ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
O=C(CCOC1CCC1)NCC=CB(O)O	1991334481	WIVXNCPPPVONJS-UHFFFAOYSA-N	227.069	-0.370	50	10	BBGE	
O=C(Cl)C=CC(=O)N(CCCO)CCCO	1991662317	KCPPBBCZYVCLME-UHFFFAOYSA-N	249.694	-0.099	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1	1992394986	LCNQRXZTSJJVPW-RXKWGBCNSA-N	225.292	-0.241	50	10	BBGE	
CC[C@@H](OCC(COC)COC)C(=O)NN	1995202793	CBNXAESFOBVZFY-SECBINFHSA-N	234.296	-0.320	50	10	BBGE	
CCCOCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2001339545	IHAJJZTVHMNTGH-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CO[C@@H](COc2cncc(B(O)O)c2)C1	2001600913	DKJXVDPFOIGUGW-GZMMTYOYSA-N	237.064	-0.435	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@@H]1CO	2001930904	VEDXOZPKVDWXPO-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@@]1(C)CO	2003267144	HYXCPDGZRLTYIT-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]([C@@H]2CCOC2)C1	2004396110	JFNDMJNRIVUTKC-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
CC[C@H](COC)Oc1nccc(C)c1B(O)O	2004930694	VZEPYPYSXPQWFE-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CC[C@@H](COC)Oc1ncc(B(O)O)cc1F	2004935291	WKDBYLJLIXEHNX-QMMMGPOBSA-N	243.043	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(N(C)C2CC2)C1	2005180997	YOIKMMMPPIVJSP-DTWKUNHWSA-N	240.351	-0.221	50	10	BBGE	
CCCN(C)C1CN(CCOCC(=O)NN)C1	2017465305	FXCGFPQXGOMJEM-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
C[C@H]1[C@H](N(C)CCC(=O)NN)C2CCN1CC2	2017622619	KLAMGGNIESVHSF-CABZTGNLSA-N	240.351	-0.219	50	10	BBGE	
CO[C@@H](C)CN(CC(=O)NNC(C)=O)C(C)C	2019210406	HDXWVTFZLBDMBQ-VIFPVBQESA-N	245.323	-0.101	50	10	BBGE	
COCCN([C@H]1CCCOC1)[C@@H](C)C(=O)NN	2020540534	FDULWUJFVVFGGD-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)(C)ONC(=O)c1cccc(B(O)O)c1	2022195818	BJFXSGKVHQFYSA-UHFFFAOYSA-N	237.064	-0.174	50	10	BBGE	
CC(C)(CN1CC(OCCCO)C1)C(=O)NN	2026045412	RWTBCVAVHSSTKM-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC[C@H]3C[C@@H]32)c1B(O)O	2026073249	ZPFZVHRBBHIHPI-XHNCKOQMSA-N	234.064	-0.358	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)C1CN(C)C1	2028806358	YQFIFIUBAYMVBP-UHFFFAOYSA-N	248.135	-0.579	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ccc(B(O)O)cn3)C[C@@H]12	2042944431	NHANCXVKJCJMGG-VFWDIBGWSA-N	246.075	-0.254	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@H]3C=C[C@H]2C3)ncc1B(O)O	2052490887	HEHDYLXPWQQEKL-ATZCPNFKSA-N	246.075	-0.192	50	10	BBGE	
Cc1cc(N2CC[C@@]3(CCO3)C2)ncc1B(O)O	2052626181	TTXDMRSBWYXSPG-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2053735999	ONSQDOXSCHKVOZ-OHBODLIOSA-N	244.103	-0.086	50	10	BBGE	
CCC[C@H](C)Cn1cnc2c(B(O)O)ncnc21	2055728366	LOXCPTDODBGQAH-QMMMGPOBSA-N	248.095	-0.058	50	10	BBGE	
CCc1cc(B(O)O)c(OC)cc1C=O	2060168178	HCBXEFUJKXEMTP-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CC12CC(Cn3cccc(B(O)O)c3=O)(CO1)C2	2082656122	VQJPWCDAOGAXHU-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CC[C@@H]1CO	2208987124	ZYFPHBLKKKIHHH-PHDIDXHHSA-N	213.686	-0.127	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@@H](F)C1	2211138150	QJPFVHPUIKKDHG-SSDOTTSWSA-N	244.100	-0.243	50	10	BBGE	
N#Cc1cnn(C[C@H]2CC[C@@H]2C(=O)NN)c1	2211828454	ZRMWGRTXMMPMQU-BDAKNGLRSA-N	219.248	-0.229	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838420	HGONLRLWTDFIMU-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(C)(C)CN	2214603999	YMZFSONHGYNCBG-UHFFFAOYSA-N	236.124	-0.465	50	10	BBGE	
OB(O)c1csnc1Cn1ccnc1C1CC1	2214604401	YLDUVOSLYTYNKV-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
NNC(=O)C1(CN2CC3(COC3)C2)CCCC1	2216874060	PJBDNRZLNOPEJB-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
C[C@@H](N)CCCCOc1ncccc1B(O)O	2217173107	NBDVGNWXYBQVFG-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
C#CC1(F)CN(c2cc(B(O)O)c(C)cn2)C1	2217181911	WZMTVSLAFBPERN-UHFFFAOYSA-N	234.039	-0.769	50	10	BBGE	
CNC[C@@H](Oc1cc(B(O)O)ccn1)C1CC1	2217192400	IALKDYNZXCBTBM-SNVBAGLBSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](C)[C@@H](CO)Nc1cc(B(O)O)ccn1	2217197752	QJIGYFOFEYOJAR-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
CC(C)(N)CCCN=c1cc(B(O)O)cc[nH]1	2217200607	AIIQRXPKRORQQQ-UHFFFAOYSA-N	237.112	-0.887	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1	2217201194	OSARNAFTTKQWFO-SFUQAZFLSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2ccc(B(O)O)cn2)[C@H]1C	2217202517	KKVBLFOEYIWUFF-OYNCUSHFSA-N	236.080	-0.403	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCCNC1	2217203740	ZUFQGBZLQXSTHB-VIFPVBQESA-N	235.096	-0.685	50	10	BBGE	
C[C@@H](N(C)c1cc(B(O)O)ccn1)C(C)(C)O	2217203819	AQGDJIUYPLWVGE-MRVPVSSYSA-N	238.096	-0.643	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1Cc1cccc(B(O)O)c1	2220065387	ZETWRAYATYXONO-RYUDHWBXSA-N	245.087	-0.123	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1	2221322323	MXFQENQZRHXKHI-WRWGMCAJSA-N	249.314	-0.092	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1c1ccc(B(O)O)cn1	2223633958	DFIJPJKJHIPWEN-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC[C@@H]3C[C@H]23)[nH]c1	2223637331	PNHBACSVGQCMFC-YWVKMMECSA-N	247.107	-0.574	50	10	BBGE	
CN(CC1CCNCC1)c1ncccc1B(O)O	2223666587	NAKQMSGSECYNLT-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
C[C@@H](CF)N(C)CCOCC(=O)NN	2241720663	VLXOMGSNGINTET-ZETCQYMHSA-N	207.249	-0.717	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)C1(B(O)O)CC1	2243363802	MRDKWWLJOTVPEG-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)C2)sc1B(O)O	2243366426	BUWAVWSSZUUCOT-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
O=C(NC[C@@H]1CCOC1)C1CC(B(O)O)C1	2243391034	FMEUALQXVZLEIS-UEJVZZJDSA-N	227.069	-0.608	50	10	BBGE	
CS[C@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2243400137	WMXLKRVCORTIQH-BDAKNGLRSA-N	241.121	-0.208	50	10	BBGE	
CO[C@H](CN(C)C(=O)C#CB(O)O)C(C)C	2243401120	MLQWXQIAJQNTIU-SECBINFHSA-N	227.069	-0.869	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1sccc1B(O)O	2243407593	VSKCCVCZJCTCSH-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C(F)F	2243674760	NJTJDMZXVXIEJL-UHFFFAOYSA-N	228.991	-0.752	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244333405	VNHGJJWYTVTTBW-RGOKHQFPSA-N	227.308	-0.687	50	10	BBGE	
Cc1nc(C(=O)NCCC#CB(O)O)co1	2244549551	FHYVJJHAAQRPHN-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2C[C@@H]2C1	2247732578	HTDIHIAXKAYICD-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]2F)c(B(O)O)c1	2247752233	LJYKUOAMPRWAIK-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
CNC[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247754493	DYXBLAOZTNUNDT-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@@H]21)C1(B(O)O)CCC1	2247755641	QKHPGLKHARSJQS-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H](C)CF)c1	2247761098	QVEGXNGPVSUBJO-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
COC(OC)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786843	HJCKKDYXNBUHSF-BIIVOSGPSA-N	245.084	-0.637	50	10	BBGE	
C[C@](CN)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792278	RZNIYSIAOFCHQN-POZPLHJXSA-N	240.112	-0.517	50	10	BBGE	
CC1CC(CO)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247800534	PXYOUEHALBQZNK-QMFGVRBNSA-N	241.096	-0.626	50	10	BBGE	
CCCc1cc(=NC(=O)[C@@H]2C[C@H]2B(O)O)[nH][nH]1	2247808513	LHRCCDCJWNQUHN-HTQZYQBOSA-N	237.068	-0.415	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)CN1	2247854023	WFDIMIKAQMCMAY-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1CCC1	2247867313	CMZZAGINAGWSCZ-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
COC[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2247873686	DXRXMBRKLFWBAL-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@@H]1F	2247874594	NCWLUWMFSVGVRS-IUCAKERBSA-N	237.039	-0.485	50	10	BBGE	
O=C1[C@H]2CC[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2247878013	GYJKVXZMXDXTJY-SFYZADRCSA-N	237.064	-0.222	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C2(CC2)C1	2247899593	OMQYLXORHGRZLF-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247899692	PLFLQTPSYAJDBD-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2248585528	NDMHPDUXQVEEHP-SSDOTTSWSA-N	241.052	-0.683	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C(=O)O)C1CC(B(O)O)C1	2248586559	CQZVBTKMSLCNLD-RLXKETGRSA-N	241.052	-0.781	50	10	BBGE	
O=C(Nc1cnccn1)c1cocc1B(O)O	2249424116	OMHFQCJXNGUXIZ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1[C@H]2CCC[C@H]21	2255456674	RCXRXGOVKKZOKW-JZYVYDRUSA-N	249.075	-0.170	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255499554	BTLHLZUBMDJJBE-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1cc(B(O)O)n[nH]1	2255552678	OHKHOCUUPPJPEM-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
Cc1c(CNC(=O)C#CB(O)O)cnn1C1CC1	2255668845	FSKSGTDAGYCOOO-UHFFFAOYSA-N	247.063	-0.842	50	10	BBGE	
CNC(=O)c1ccc(NC(=O)C#CB(O)O)cc1	2255673607	RFDBUXYWDQAXKM-UHFFFAOYSA-N	246.031	-1.000	50	10	BBGE	
CC#CCCCNC(=O)c1cc(C)c(B(O)O)o1	2255693246	YTANCTNSGNGRGD-UHFFFAOYSA-N	249.075	-0.199	50	10	BBGE	
CC1=C(C)CN(C(=O)c2ccncc2B(O)O)C1	2255733648	OIIXKGPWURCANO-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
Cc1cc(C#N)c[nH]c1=NC(=O)[C@H]1C[C@@H]1B(O)O	2255772194	BKGIUNBKBBYNAI-IUCAKERBSA-N	245.047	-0.515	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018101	WWMWNSXGEYOZQX-OIBJUYFYSA-N	249.075	-0.400	50	10	BBGE	
O=C(NCc1ccncc1)c1cocc1B(O)O	2258130126	BPBUTHBVYOZOEY-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@]2(O)C[C@H]2C1	2298256235	MJHYASQBTCFVKD-UXCLJVHYSA-N	239.319	-0.541	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2298370460	ZGHXEGALQPPYDR-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
C/C=C/C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463514	HXFGWKPTLFHWJT-RQLPFYMCSA-N	241.052	-0.615	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299355699	PNWQTTMVRCBOTA-KYXWUPHJSA-N	239.080	-0.613	50	10	BBGE	
COC[C@]12CCO[C@@H]1CN([C@H](C)C(=O)NN)C2	2299792629	UXLGLKYCNIOMGK-FXPVBKGRSA-N	243.307	-0.898	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C)CCCC(=O)NN	2302060306	NXBZDXJQWSHAMN-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2C[C@H]3C[C@H]3C2)C1	2303167531	QFGJFCVWWWGPRV-WCABBAIRSA-N	238.096	-0.003	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2306891421	BDORHFTYUDOKCP-DCAQKATOSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CC[C@@H]2CNC[C@@H]21	2312614263	FABSSJMVKIDDFE-YWVKMMECSA-N	248.091	-0.862	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1-n1ccnc1C#N	2317127696	UMIMZWHUOUIRMH-UHFFFAOYSA-N	238.015	-0.705	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2[C@@H]3COC[C@@H]23)n1	2318951797	LMAUWCKINFHPCP-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
CC(C)CNC(=O)C(C#N)=CNCC(=O)O	2324611487	BGNMSUABNIZHGK-UHFFFAOYSA-N	225.248	-0.160	50	10	BBGE	
CN(C)/C=N/NC(=O)c1cn(C)nc1N	75619378	BVLATRNRIAYSOX-BJMVGYQFSA-N	210.241	-0.763	50	10	BBGE	
NNC(=O)CCCCN1CCN2CCC[C@@H]2C1	94468176	FNASXVKTTFHXSX-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
COc1cc([N+](=O)[O-])ccc1OCC(=O)NN	110565357	GWLFWUWOOJPODU-UHFFFAOYSA-N	241.203	-0.028	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@H](O)C1	111236934	UYYNLCGFDQBXRM-QMMMGPOBSA-N	239.275	-0.160	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)Cl	130227470	XHKXNMQUTNITSQ-RQJHMYQMSA-N	234.683	-0.413	50	10	BBGE	
CN(C)NC(=O)Cc1csc(N)n1	147269486	GWIJRCBZYZJLQU-UHFFFAOYSA-N	200.267	-0.139	50	10	BBGE	
CC[C@H](Br)C(=O)NOCC(N)=O	157232475	AAVSXDUWMPWGMK-BYPYZUCNSA-N	239.069	-0.307	50	10	BBGE	
CCOC(=O)C(=O)OC(=O)C(=O)OCC	196858502	JJSHWYNVHGWALK-UHFFFAOYSA-N	218.161	-0.818	50	10	BBGE	
COc1ccc(CN(C)C2CC2)cc1B(O)O	199013339	POEHCNAIRQYQQD-UHFFFAOYSA-N	235.092	-0.031	50	10	BBGE	
Cc1cc(F)ccc1-n1cc(B(O)O)cn1	203615049	WKYBWTPEJQNEHE-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
NNC(=O)CCCC[C@H]1CNC(=O)N1	205236271	YHWRUEJUDAGJEG-LURJTMIESA-N	200.242	-0.782	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)[C@@H]1CC	211725008	DPNQNMBPOLBEOR-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(=O)CC1	211857739	FNSIZNDBGXKYCT-SECBINFHSA-N	213.281	-0.190	50	10	BBGE	
C[C@H]1CN(C[C@H](C)C(=O)NN)CCO1	216469680	OSTFMUIVVSLMGH-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1[C@H](C)CC(=O)NN	216472811	UCHQTVIIVQEMOG-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](C)C(=O)NC	233354918	FQAWHTKHMISZIE-BDAKNGLRSA-N	244.339	-0.541	50	10	BBGE	
CO[C@H]1CN(CCCCC(=O)NN)C[C@@H]1OC	234870930	PABZHYVEIVYICB-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
Cc1cc(Br)c(B(O)O)cn1	238454679	DDZDTQCFKVSSFS-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
NC(=O)N(N=O)C1[C@H]2COCOC[C@H]12	238562596	MWYPIWCRPCABHY-WHFBIAKZSA-N	201.182	-0.333	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@@H](C)[C@H](C)C(=O)NN	252599567	KWAHRCZDMASDAY-IUCAKERBSA-N	244.339	-0.556	50	10	BBGE	
CN1CCC[C@@H](COCC(=O)NN(C)C)C1	259023832	QFEWUYFLVZSSHZ-SNVBAGLBSA-N	229.324	-0.062	50	10	BBGE	
CCOC[C@H](C)OC[C@H]1CC[C@H](C(=O)NN)O1	300041757	YAXKMRCBABXQNZ-IVZWLZJFSA-N	246.307	-0.035	50	10	BBGE	
C[C@H](Cl)c1cn(CC(=O)NC(N)=O)nn1	307081356	JDANICFEEQMCMO-BYPYZUCNSA-N	231.643	-0.227	50	10	BBGE	
C[C@@H](C/C(=N\NC(N)=O)C(=O)O)C(=O)O	308682971	OMZRHGPFDUNMDV-SKYAAQEBSA-N	217.181	-0.794	50	10	BBGE	
NNC(=O)CCN1C(=O)C2CCC1CC2	379697952	LKMQTPXJSCFECE-UHFFFAOYSA-N	211.265	-0.233	50	10	BBGE	
CN(C)C1CN(C[C@@H](Cl)C(=O)O)C1	382766642	TVQKRKVALVJJBO-SSDOTTSWSA-N	206.673	-0.076	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCN(C)C1)C(=O)NN	389609540	APQSGQNNBXHFCU-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
O=C(O)c1cc(O)c(B(O)O)c2sccc12	396380460	JSPKRIBSYFIUFI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCCOC1	401393373	LOKKUOLVRGCGEQ-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)Nc2ccc(B(O)O)cc2)CO1	405025495	KITSZVQYNJISTM-DTWKUNHWSA-N	249.075	-0.270	50	10	BBGE	
CNC(=O)Nc1cc(B(O)O)ccc1Cl	405158525	ZJDLNMKTHLLABD-UHFFFAOYSA-N	228.444	-0.229	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@@H]1C(=O)OC[C@@H]1O	675078894	AZZJLAUNLGREAI-WDSKDSINSA-N	235.667	-0.346	50	10	BBGE	
C[C@@H](CO)CN(C)CCC(C)(C)C(=O)NN	688403257	XKVCCFSGZIWZOD-SECBINFHSA-N	231.340	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12COC[C@@H]1C2	689281600	QOVFRBUQEHJQQC-WEDXCCLWSA-N	213.281	-0.667	50	10	BBGE	
CC(C)N(CCC(=O)NN)C[C@H](C)O	692172546	GSTVLPQUJVWRSN-QMMMGPOBSA-N	203.286	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@H](C)O)C(C)C	692172557	HFZQCIDKALNOBP-DTWKUNHWSA-N	217.313	-0.154	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOCC1	695072141	WTGCGLGIQNMDBY-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(N2CCCC2)C1	697800353	KKFQZGSYBBGRPE-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
C[C@@]12CCCC[C@H]1CN2C(=O)C(=O)NN	707202380	ZSPUQTXVXQLQQM-OIBJUYFYSA-N	211.265	-0.233	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1cnc[nH]1	709747923	GPRXGXPUUCIRPB-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710477227	NUIWHELJYYQYRT-ZNSHCXBVSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)C1=NCN=C1	725595377	RZODMRLFBCYGDD-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)c1cnn(C)n1	725703013	WNOJQSXMNVOGNZ-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
C/C=C(/C)C(=O)NNC(=O)c1cnn[nH]1	751375726	PHWXQWXEHYLACL-HYXAFXHYSA-N	209.209	-0.468	50	10	BBGE	
COc1c(O)cccc1C=NNC(=O)CO	776781017	UDDFQOFOGYQQTC-UHFFFAOYSA-N	224.216	-0.157	50	10	BBGE	
COC[C@@]1(C(=O)NN(C)C[C@@H](C)O)CCOC1	910148647	DVJVCZCIVZYQMX-KOLCDFICSA-N	246.307	-0.617	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)c1ccnnc1	1142447624	WIKMOLKCIVGNFL-SSDOTTSWSA-N	238.247	-0.337	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H]2C[C@@H]21	1260932653	GFUJHELYKYSSCV-WDSKDSINSA-N	211.670	-0.014	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1ncccn1	1441051491	TZLXBSMEMIZNPT-QMMMGPOBSA-N	220.232	-0.042	50	10	BBGE	
Cn1nncc1NNC(=O)CCc1ccncn1	1457828696	IOYZKYXEPSWLBF-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
Cc1nnc(CC(=O)NNc2ccncn2)o1	1569313857	OVEGYTUQNLGJOH-UHFFFAOYSA-N	234.219	-0.146	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H](C)CC(N)=O	1624277072	MHIHWBJSBAVGHO-VQKCLUMFSA-N	225.248	-0.190	50	10	BBGE	
Cc1nnc(NNC(=O)c2cn(C)nn2)n1C	1641993978	UQFYXZWIVFVYJP-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
CO[C@@H]1CNC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1877520175	JWIHNBRSRJAEFU-DKXJUACHSA-N	218.684	-0.283	50	10	BBGE	
NCCCS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883567967	SNZJKXFIUVBYSL-NKWVEPMBSA-N	226.729	-0.118	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)NC(=O)OC	1884831938	WWQQIFOLGUCKRE-RXMQYKEDSA-N	240.668	-0.583	50	10	BBGE	
C[C@H](O)[C@H]1CCN1C[C@@H](C)C(=O)NN	1885791155	RGLGYRWQNXJOAB-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H]1C[C@H]1Cl	1893469571	KOWKIZAAZNMDLV-NKWVEPMBSA-N	214.652	-0.521	50	10	BBGE	
O=C(NCC[C@@H](O)CO)C1CC(Cl)C1	1893475098	PQQOAVOQETZUFJ-KAVNDROISA-N	221.684	-0.137	50	10	BBGE	
NC1(C(=O)NCC2CC(Cl)C2)COC1	1893513926	QNCQQSZQZKYPIY-UHFFFAOYSA-N	218.684	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](Cn2cccn2)O1	1896930215	SQBUOGIKPFXWHC-BDAKNGLRSA-N	224.264	-0.189	50	10	BBGE	
CC1(S(=O)(=O)N2CC[C@](C)(B(O)O)C2)CC1	1902539078	LIUJUMBSQWGWAJ-QMMMGPOBSA-N	247.125	-0.193	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]1C1CC1	1910605267	DGLPQZHSQDSBNP-UWVGGRQHSA-N	233.076	-0.426	50	10	BBGE	
C[C@H]1CCS(=O)(=O)N1C[C@@H](C)C(=O)NN	1912275410	PXQXQMWYLGRNRI-RQJHMYQMSA-N	235.309	-0.964	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNCCOC2)CC1	1917085588	YEVKVQHDUIEQKF-LLVKDONJSA-N	235.287	-0.095	50	10	BBGE	
N#CC1=CCN(C2(CC(=O)O)CNC2)CC1	1917108033	DTYRLYJVQLVATI-UHFFFAOYSA-N	221.260	-0.041	50	10	BBGE	
Cn1cc(OCC(F)(F)C(=O)NN)cn1	1927814703	ONJXRJMTXGPDCR-UHFFFAOYSA-N	220.179	-0.576	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927914720	XIFXLRNNSDQBPW-VGMNWLOBSA-N	210.281	-0.296	50	10	BBGE	
O[C@@H](CBr)CN1C[C@@H](O)[C@H](F)C1	1929872136	LOUITICOTOXLTQ-RRKCRQDMSA-N	242.088	-0.243	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1cc(B(O)O)cn1	1930300916	HTJIGMJDSSTFLT-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
C[C@@H]1C[C@@H]1OC[C@H]1CC[C@@H](C(=O)NN)O1	1932202534	CGBIFXDRBUGICY-HXFLIBJXSA-N	214.265	-0.051	50	10	BBGE	
CC(C)(CO)[C@H]1CCCN1CC(=O)NN	1934672708	FQABZASZZQZJHV-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCN1CCN(CC(F)(F)C(=O)NN)C1=O	1935931182	XWPLUELYTZEBJV-UHFFFAOYSA-N	236.222	-0.631	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@@H](F)C1	1936027543	YPSYWJLKYWBUKL-IUCAKERBSA-N	233.287	-0.449	50	10	BBGE	
C[C@H]1SCCN(CCOCC(=O)NN)[C@@H]1C	1936533375	HMKFUQXWTVCCGU-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CC(C)[C@H]1CCN(CCOCC(=O)NN)C1	1936535224	MZNAWTCOWCJZHO-JTQLQIEISA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CC[C@H]2O	1941290810	LBFRQXNYASAMMV-VPJKUYQRSA-N	239.319	-0.542	50	10	BBGE	
CC(C)(C)c1ncn(CCOCC(=O)NN)n1	1941779236	AIRXFXMPJBCLEA-UHFFFAOYSA-N	241.295	-0.418	50	10	BBGE	
O=C(CCNC(=O)c1ccoc1)NNCCO	1944214811	ZGGOXHNMHJCWIN-UHFFFAOYSA-N	241.247	-0.987	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@H](C1)[C@@H]2COC	1944575585	CDFZKQUJZUQBFN-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOC2(CCC2)C1	1946407438	IRJPZDLGZLPTLN-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@](C)(OC)C(=O)N1CC[C@@H](B(O)O)C1	1951321998	POHCXIIOPZUYRG-PSASIEDQSA-N	229.085	-0.123	50	10	BBGE	
COC(=O)c1nn(C)cc1C[C@H](O)C#N	1952221749	HMYDPCDOZHSXKG-ZETCQYMHSA-N	209.205	-0.366	50	10	BBGE	
C[C@@H](CN(C)Cc1ncno1)C(=O)NN	1958694868	IEKQVWVHZGNYLJ-LURJTMIESA-N	213.241	-0.873	50	10	BBGE	
CC(C)(CN1CC(O)(C(F)F)C1)C(=O)NN	1981254251	KTJPPGWNOJQYIK-UHFFFAOYSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ccncc1B(O)O	1981431495	ZMOHMMHTSFQTKL-XVKPBYJWSA-N	223.037	-0.825	50	10	BBGE	
Cn1ccnc1Sc1ncc(B(O)O)cn1	1981454491	KPJQQXNQBRMJCA-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
COC1(CN(C)c2nc(B(O)O)cs2)CC1	1981469317	QJXZTVGETRWXQJ-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
C[C@H](CO)N(C)Cc1cnsc1C(=O)NN	1981730960	YJZXATSFGVTROM-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1[C@H]2CCO[C@H]21	1983253030	QJVZIMYLYRIWHL-WCTZXXKLSA-N	247.678	-0.082	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1985622517	KNBNNPHKHAQRCH-JKUQZMGJSA-N	243.698	-0.374	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cc(C(=O)NN)cs1	1985738484	ANPMPQWLZQNYMY-IMTBSYHQSA-N	241.316	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@](C)(O)C1	1989512169	PEPXZUSXQOBEQB-KKZNHRDASA-N	229.324	-0.152	50	10	BBGE	
Cc1ncn(C)c1C(=O)NCC=CB(O)O	1991335600	ZGWZEYCHZALWIS-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](N)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1991682010	GGNKKIHORIPUKO-ULAWRXDQSA-N	245.710	-0.725	50	10	BBGE	
Cc1cccnc1C(=O)NCC#CB(O)O	1992168233	XESHGXHPHOTKFV-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
O=C(NNCCO)[C@]12CCC[C@@]1(C(=O)O)C2	1995273696	QMMKQHVPCLXPLE-ZJUUUORDSA-N	228.248	-0.756	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)C[C@]12CCOC2	1996642849	ADYFCKUKGAIZQY-QMMMGPOBSA-N	249.217	-0.997	50	10	BBGE	
C[C@H](C(=O)Nc1ncc(B(O)O)cn1)C1CC1	1996647304	KTTPRRIKPUFWGB-LURJTMIESA-N	235.052	-0.859	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CN2CC[C@H]1C2	1996730428	BJEXAKLIFDSZME-NAKRPEOUSA-N	240.351	-0.363	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](OC)C[C@@H](OC)C1	2001044740	BROMEHFITUZBGC-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@H]2C1	2003508446	CGDKEYZAUOBTRG-OCAPTIKFSA-N	235.291	-0.525	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)C[C@@H]1C	2004844553	TXZWBNDXTNIAFV-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)CC1(F)F	2004911495	HWVNNAGPNMFQKF-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
CCOCC1CN(c2ccc(B(O)O)cn2)C1	2004911940	MXRFGCBEIHSKDG-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
C[C@H]1CC(C)(C)CN1c1ncncc1B(O)O	2004918298	JUEHTEQNWXOVCF-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2CC2(C)C)n1	2005017718	JJDNULUUTXPWNX-VIFPVBQESA-N	235.096	-0.300	50	10	BBGE	
CCN(CC)[C@H](C)CO[C@H](COC)C(=O)NN	2007004852	GIPQHVIZXGZUEA-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CC1(C)CCOCCN1CCOCC(=O)NN	2011296237	YCKKDFFRXQGMQI-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011298152	VEJFSFTWZYNKSJ-JBLDHEPKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCC[C@]2(CC[C@@H]2O)C1	2013326940	AXQPYHRARXZUHL-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
CCn1nc(C)c(CN(C)CC(=O)NN)c1C	2014378444	KZJOQXRLZJHLOS-UHFFFAOYSA-N	239.323	-0.058	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCOC)C1COC1	2018181812	NHDTZEUNTJHEHS-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12CCC[C@@H]1OCC2	2020061522	IAVYWTUOSKSFHO-ONGXEEELSA-N	239.080	-0.370	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(C1)CC21CC1	2021113277	GFTMQESKVWERGI-UHFFFAOYSA-N	233.076	-0.302	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3cc(B(O)O)ccn3)C[C@@H]12	2042945244	SZXNYDKLEVQZIS-FDOIEUKUSA-N	246.075	-0.254	50	10	BBGE	
CN(C[C@]12CCC[C@@H]1C2)c1ncncc1B(O)O	2052467968	XKSFZVQGAJVLOV-BXKDBHETSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCCC[C@@H]32)nc1	2052469442	QTHRVYKXBSECJK-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
N#Cc1cc(Cl)cc(B(O)O)c1[N+](=O)[O-]	2060105584	FWKJMSCTENUSDE-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
Cn1cc(C2CN(C[C@@H]3C[C@@H]3C(=O)NN)C2)cn1	2074813960	QMTWQOJWZZUJQO-KWQFWETISA-N	249.318	-0.555	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2212603843	JRZKPNDURGUSIG-DTORHVGOSA-N	216.049	-0.415	50	10	BBGE	
CC(C)(CO)Nc1nccc(B(O)O)c1F	2212606700	YKFYYEJYQFFNEF-UHFFFAOYSA-N	228.032	-0.917	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2212613188	SZBLTJMFRQDBCQ-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
CC1CC(CN=c2ccc(B(O)O)c[nH]2)C1	2212614395	COOYKOJCJXSINQ-UHFFFAOYSA-N	220.081	-0.359	50	10	BBGE	
CN(C[C@@H]1CCCC(C)(C)O1)C(=O)C(=O)NN	2214353950	FKQUWSGAYNKUHD-QMMMGPOBSA-N	243.307	-0.218	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H](O)C[C@H](F)C1	2215775495	HHRBCOZPMQIUST-KATARQTJSA-N	245.298	-0.593	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)[C@@H](C)CN1C	2216200427	UTASVMIYUVXZOI-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)CC[C@@H]1O	2216527782	HJMGXYKGCFZTFH-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H]3C[C@@H]23)[nH]c1	2217175196	FVVMXOXNOXLGFB-KHQFGBGNSA-N	233.080	-0.964	50	10	BBGE	
CCN(CCOC)c1cc(B(O)O)c(C)cn1	2217179954	PGGBOPBFJKWKBQ-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
Cc1cnc(N[C@@H]2CO[C@@H](C)C2)cc1B(O)O	2217184770	RMOSOHDGAYMQNV-IUCAKERBSA-N	236.080	-0.341	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)C(C)(C)N	2217190916	AZPJJZIJHUESPS-ZCFIWIBFSA-N	242.059	-0.595	50	10	BBGE	
C[C@]1(N)CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217196540	SFQWMKPZLBVRJU-ONGXEEELSA-N	236.080	-0.590	50	10	BBGE	
CCOCC(C)(C)Nc1ncc(B(O)O)cn1	2217196708	HZHNDEMZSFAGNP-UHFFFAOYSA-N	239.084	-0.617	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCCO1	2217201930	GMSQGBKJZRUMDQ-SECBINFHSA-N	236.080	-0.258	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@@H]1O	2217204694	NNHGTZKOLLCXNW-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
C[C@@]1(CN)CCCN1c1cc(B(O)O)ccn1	2217205132	UBPQKLWFYRIEHF-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
C[C@H](COc1ccccc1)NC(=O)C(=O)NN	2217301113	JKPGFJZLIJPENN-MRVPVSSYSA-N	237.259	-0.440	50	10	BBGE	
Cc1ccc(CNc2ccc(B(O)O)cn2)nn1	2223633106	SDQPNXXIFXJVGV-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cnc(OCCn2cccn2)cc1B(O)O	2223639486	DWCZTFDQAOYZAD-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CC(C)N1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2223672863	ICDRMPPWSSSGQV-NSHDSACASA-N	249.123	-0.344	50	10	BBGE	
C[C@H]1CN(C)CCCN1c1cc(B(O)O)ccn1	2223675779	UBZKDOGZGYKKSB-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1ccc(CN=c2ncc(B(O)O)c[nH]2)cc1	2223677731	RVLFECWAJQEDDA-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
CCC[C@H](O)CNC(=O)C1(B(O)O)CCC1	2243347856	RCCZDQAJERQWLH-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
CC(C)C[C@H](NC(=O)C#CB(O)O)C(F)F	2243361931	JHPCQQIPDCZDFG-ZETCQYMHSA-N	233.023	-0.202	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]1C1CCC1	2243362503	RXLFCZVSKZLBOU-VHSXEESVSA-N	221.065	-0.446	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCOC1	2243364211	SVULMJAEJHQSES-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)[C@H]1C[C@H]1B(O)O	2243383515	ZDADRDBVKQSVGB-XSPKLOCKSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243397753	ILSUBWZDWBRWDK-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
CCN(C)S(=O)(=O)c1cccc(B(O)O)c1	2243399253	KXGYXVOXIZDDDR-UHFFFAOYSA-N	243.093	-0.993	50	10	BBGE	
CC/C=C\CNC(=O)c1coc(B(O)O)c1	2243408553	PIWCKHXXRPPNCW-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243409539	KBBZEMBRDLJVCB-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
CCCN(O)C(=O)c1cc(C)c(B(O)O)s1	2243409826	PQCNIVMCWFNIKI-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1nscc1B(O)O	2243410193	WUNBHORMACGJSE-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243410493	CFFBIBATUFJNFN-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)N(C)C	2243413167	ANFFKDIXHZBNAP-UEJVZZJDSA-N	228.101	-0.694	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1coc(B(O)O)c1	2247731977	BNZVWGNDOHGEDK-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1coc(B(O)O)c1	2247736077	SEGKFFJSQXTBJL-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
COC[C@H]1CC[C@H](CNC(=O)C#CB(O)O)C1	2247741128	VDFJFWALOMXFJJ-UWVGGRQHSA-N	239.080	-0.819	50	10	BBGE	
CC1CC(CNC(=O)c2ccc(B(O)O)o2)C1	2247743991	MAOZCMUKIKVUNH-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
CON(CC(C)C)C(=O)c1ccoc1B(O)O	2247744457	SURBEXHEKRYKHO-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
C[C@H]1CCN(C(=O)c2occc2B(O)O)[C@H]1C	2247750302	HFLYNFBFZFWKDM-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1cccc(F)c1B(O)O	2247752897	XPXKPOMPYXUVDZ-SFYZADRCSA-N	241.002	-0.654	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)[C@@H]1N	2247754428	DBOAISPFHWDPEP-BRPSZJMVSA-N	240.112	-0.565	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1occc1B(O)O	2247757262	PYSSLOLWHDOLMX-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1occc1B(O)O	2247757310	QUYFOIRLDDVMEK-APPZFPTMSA-N	237.064	-0.170	50	10	BBGE	
O=C(NC[C@]12CCOC[C@@H]1C2)C1(B(O)O)CC1	2247758707	WVQBWDTYKBACHT-WCBMZHEXSA-N	239.080	-0.464	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC(F)C1	2247759416	PZMJBSWFDKQNNR-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788116	ZMBUEBPERNEDCR-SDNRWEOFSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790407	HCFOFMDSJZGBDL-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC[C@H](CO)C1CCC1)[C@H]1C[C@H]1B(O)O	2247800702	RSASQGHJHABFND-KXUCPTDWSA-N	241.096	-0.626	50	10	BBGE	
CC1(O)CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247806373	FKRDEJUUYVTUQL-GWMJWBFUSA-N	241.096	-0.341	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cnn(C)c1	2247806543	FWHOAWFAPCCVOH-XVYDVKMFSA-N	237.068	-0.540	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1CO	2247806868	GQYROEDDTIZUGC-QGVKSAJWSA-N	241.096	-0.674	50	10	BBGE	
O=C(NCC1(O)CCCCC1)C1(B(O)O)CC1	2247854605	FOTCAEYTPQKTTJ-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](C)CN(C)C	2247894171	DADRNJROIWNOMQ-AEJSXWLSSA-N	242.128	-0.352	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247894944	MLIRIQJCSNDXNL-GUBZILKMSA-N	241.096	-0.483	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2247896435	GWDIDETWQXQLAG-SGIHWFKDSA-N	238.096	-0.846	50	10	BBGE	
C=C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247897001	MTTXYPINCKWZMY-GUBZILKMSA-N	239.080	-0.347	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247906412	YMUPYEICXSYZQE-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CCON(C)C(=O)Nc1ccc(B(O)O)cc1	2247947291	UHILVJVOCAILOT-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2248589805	VBSLBPMBIRUMCO-LURJTMIESA-N	243.068	-0.391	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1cocc1B(O)O	2249415286	BUGQJUYFVJGQAD-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1cc(B(O)O)co1	2249427703	KCVAJYMPZBAYNW-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C#CCN(CCC)C(=O)c1cc(B(O)O)co1	2249430766	PVOQRACYAUEUTO-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
Cc1cccc(C(=O)NCC=CB(O)O)c1N	2249919711	CJQMRZUWPUNNLE-UHFFFAOYSA-N	234.064	-0.125	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1CC[C@H]2C[C@H]21	2255456555	PUZQHBXPDSZJBG-FXBDTBDDSA-N	249.075	-0.170	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1c1ccccn1	2255468319	ZGSBPSKGXGVEMT-NSHDSACASA-N	244.059	-0.240	50	10	BBGE	
Nc1ccc(CCNC(=O)C2(B(O)O)CC2)cc1	2255485051	OPYGJAOXBGWUDG-UHFFFAOYSA-N	248.091	-0.066	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(F)cc1B(O)O	2255497464	BNHFAVDFDTVDTN-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
O=C(N[C@H]1CCC2(CC2)C1)c1c[nH]nc1B(O)O	2255554804	RJLSJEYBOXDUDW-ZETCQYMHSA-N	249.079	-0.848	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2255723206	ZHZOAQUMLCLCLP-RYPBNFRJSA-N	249.075	-0.266	50	10	BBGE	
CC=CCCNC(=O)c1nc(C)ccc1B(O)O	2255724734	ICUINHTWFCJZJE-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1nccc(C)c1B(O)O	2255780216	RXMWBVLOPROPNO-VIFPVBQESA-N	246.075	-0.836	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1nccnc1B(O)O	2256055380	IGYDFNIBECXFQK-JGVFFNPUSA-N	249.079	-0.925	50	10	BBGE	
Cc1ncc(NC(=O)c2cocc2B(O)O)cn1	2258129635	XWIMNKXMWGHCDZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=CC12CCC2	2258129843	ZBFYKVQYEPJYAP-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
C#CC1(Nc2ncc(B(O)O)cn2)CC(C)(C)C1	2259892852	IWABMCPYBXYXLE-UHFFFAOYSA-N	245.091	-0.240	50	10	BBGE	
CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298371304	HKWHURWCCKARBR-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cncn1C	2298375672	VBWAGBUGMBUCTJ-PRJMDXOYSA-N	237.068	-0.540	50	10	BBGE	
CN(C[C@@H]1OCC[C@H]1F)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375722	XODRLKFXLUBCGR-XAVMHZPKSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2298542667	OWFVQWHUHHMVMJ-XNRKMWMOSA-N	239.080	-0.921	50	10	BBGE	
CN1CC(COCc2ccoc2C(=O)NN)C1	2299041162	XHBUERTZVMJMSC-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2306891424	BDORHFTYUDOKCP-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1c1ncno1	2307494991	BGDMJYWLZZMFFP-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
C[C@]12CC[C@](C)(C1)N(c1ncc(B(O)O)cn1)C2	2313218180	GVKFFGFWDSLUSY-NWDGAFQWSA-N	247.107	-0.075	50	10	BBGE	
C[C@H](CC#N)N(C)c1ccc(B(O)O)cc1C#N	2317155070	PZWMYLGRUNZBGP-SECBINFHSA-N	243.075	-0.024	50	10	BBGE	
C[C@H]1NCC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317160352	CKDPFTQLOGCZCZ-LDYMZIIASA-N	245.091	-0.600	50	10	BBGE	
O=Cc1ccc(O[C@@H]2CCCNC2)cc1B(O)O	2317351671	MMDQSKJYWWBRCD-LLVKDONJSA-N	249.075	-0.690	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2O[C@H]3CC[C@H]2C3)nc1	2327635414	ZHERJXQNACEESM-LSJOCFKGSA-N	249.075	-0.292	50	10	BBGE	
C[C@H]1CN(C(=O)CCC(=O)NN)C[C@@H](C)O1	58854037	DAQGYWYVYXBGGT-OCAPTIKFSA-N	229.280	-0.608	50	10	BBGE	
NC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	70044397	JOECTCDRTLQCFH-UHFFFAOYSA-N	213.153	-0.764	50	10	BBGE	
CCN(CC)C[C@H]1CC[C@@H](C(=O)NN)O1	82466096	VBQJPGOBKCVXBP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1COCCN1C[C@@H](C)C(=O)NN	82467560	LDLDSGOGVYXTCG-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCCl)CC1=O	84206968	XMGIJAGPYSBCNM-UHFFFAOYSA-N	247.682	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H](C)CO	85138369	QFVCZOKDMCLBPC-ZCFIWIBFSA-N	220.294	-0.485	50	10	BBGE	
CC(C)CN(C)CCn1cc(C(=O)NN)nn1	110573836	FKHNIBIVVHZQCX-UHFFFAOYSA-N	240.311	-0.531	50	10	BBGE	
C[C@@H](C(=O)O)N1CCN(C(=O)NN(C)C)CC1	149069652	DKDOSGRNPFSKNY-QMMMGPOBSA-N	244.295	-0.737	50	10	BBGE	
C[C@@H](NC(=O)CCCl)C(=O)N1CCOCC1	162699962	MIJIUXMSYQBFRA-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
CNC(=O)CCS(=O)(=O)CCCl	168881039	UIFHUINDAICMEO-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
COC(=O)[C@H](Cl)C(O)(O)C(F)F	196200270	XFYMFDWIVJAJTK-REOHCLBHSA-N	204.556	-0.287	50	10	BBGE	
CCCC[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	197127611	KYIRAKNWGLQGKF-RKDXNWHRSA-N	228.101	-0.493	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1CCC(=O)NN	216472198	BIPCGOPLWWDRNW-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CCOc1nccc2oc(B(O)O)cc12	217779364	WJXUKMLBCIRUNG-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
CN1C(=O)C[C@H](Nc2nnc(CCl)o2)C1=O	234331279	HHNFUPUPJIWRLX-BYPYZUCNSA-N	244.638	-0.022	50	10	BBGE	
NNC(=O)CSc1nnc2n1CCCN2	238658190	QNJOHRDMPGBRKF-UHFFFAOYSA-N	228.281	-0.824	50	10	BBGE	
CN1CCC[C@@H](C[C@@H](N)C(=O)N(C)N)C1	259040599	KRSOKMUAOSOJLQ-DTWKUNHWSA-N	214.313	-0.622	50	10	BBGE	
N#CC1=C(CNC2CC2)C=NS1(=O)=O	260190951	PCSLHZMBVNZZSC-UHFFFAOYSA-N	211.246	-0.070	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)[C@H]1CCCO1	293985270	RDSCEJLSUSCYPD-KCJUWKMLSA-N	242.275	-0.360	50	10	BBGE	
OB(O)c1cnc2[nH]c(C(F)(F)F)nc2c1	299889888	QHKBRLWHPKTMDJ-UHFFFAOYSA-N	230.942	-0.344	50	10	BBGE	
O=C1[C@H](Br)[C@@H]2O[C@@H]2[C@H]2O[C@@H]12	306205429	GJJDIMLERSBQTA-DIBXTXEASA-N	205.007	-0.133	50	10	BBGE	
C[C@@H]1COCCN(CCC(=O)NN)C1	306745466	JOMMJQLPBMFYPY-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
Nc1sc2cc(O)ccc2c1B(O)O	306851742	QTMWDYXQIWJSAN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN(Cc1nncn1C)C[C@@H](Cl)C(=O)O	309044829	MIOHLNWTFYYSOH-ZCFIWIBFSA-N	232.671	-0.061	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2B(O)O)N1	309552706	MEDYZQSURUMMJJ-HRDYMLBCSA-N	226.085	-0.870	50	10	BBGE	
OB(O)c1ccc(C2CCNCC2)c(F)c1	309591827	ZZBCNVDYNJOFST-UHFFFAOYSA-N	223.056	-0.028	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](O)CC1	378791636	NWFRZQDAGIFFTR-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
OB(O)c1ncccc1O[C@@H]1CCCCO1	390365848	UEJIHFKOULYGFL-SECBINFHSA-N	223.037	-0.333	50	10	BBGE	
N#Cc1c2n(c(=N)[nH]c1=N)CCN2CCCl	390519350	FZUKIRQOHYCXTC-UHFFFAOYSA-N	238.682	-0.294	50	10	BBGE	
CC1(O)CN([C@@H](C(=O)NN)C(C)(C)C)C1	395826487	XJJURLMDCYYHRB-ZETCQYMHSA-N	215.297	-0.542	50	10	BBGE	
CCOC(=O)CCc1cc(O)ccc1B(O)O	396061759	SKUIXLDMMNDEAI-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
OCc1c(O)sc2c(B(O)O)cccc12	396386649	XVJCRLGOOKLWRO-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CCC1	396437220	AAKPGZULPHOXIW-RYUDHWBXSA-N	235.092	-0.473	50	10	BBGE	
CCC(=O)N(C)Cc1cc(B(O)O)cs1	404915669	OKOVPCFCWZKVAO-UHFFFAOYSA-N	227.094	-0.204	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)Nc1ccccc1B(O)O	404939527	HNFOSLUCRDLLHK-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	405025198	ZXPFIYNTCQCBPZ-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
CCN(C)C(=O)c1cccc(B(O)O)c1F	504505290	QXMBHRAPOTZXGG-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CCCC(=O)NN	686194312	XJZBGNPUUWBZAW-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2COC[C@H]2C1	690721495	GKSUMXCGVUUPSY-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
Cc1nn([C@@H]2CCCCO2)c(B(O)O)c1C	691466290	WCXNSTLAVFPRPN-VIFPVBQESA-N	224.069	-0.121	50	10	BBGE	
CC(C)N(CCC(=O)NN)C[C@@H](C)O	692172542	GSTVLPQUJVWRSN-MRVPVSSYSA-N	203.286	-0.542	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@H](N)C1	695085753	DUNPBOKTGMCTNT-VHSXEESVSA-N	228.340	-0.186	50	10	BBGE	
COC[C@@H](Cl)CN(C)C(=O)c1nnn(C)n1	697221066	FHYUDZBPSJGYGE-LURJTMIESA-N	247.686	-0.464	50	10	BBGE	
Cc1noc2ncc(C(=O)NNC(N)=O)cc12	700876646	KYDJLKOFIDTRMJ-UHFFFAOYSA-N	235.203	-0.156	50	10	BBGE	
COc1ccc(/C=C\C(=O)NCB(O)O)cc1	702022040	FLAMWXWOHDSVHW-DAXSKMNVSA-N	235.048	-0.163	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CN(C)CCO1	709402437	FBTIZOPCBSYUMM-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@]1(C2CC2)CN(CC(=O)NN)CCO1	709863842	LQDYPEVHCROPTR-SNVBAGLBSA-N	213.281	-0.523	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COCC[C@@H]1Cl	711015504	OYTQMTADKICRAQ-BQBZGAKWSA-N	242.728	-0.221	50	10	BBGE	
CC(C)(C)[S@](=O)NC1(B(O)O)CCC1	719409947	OSTPLIXVHFUZBR-AWEZNQCLSA-N	219.115	-0.027	50	10	BBGE	
Cc1cc(N)cc(C)c1C=NNC(=O)C(N)=O	752718053	LCAJAWOMWWTAMG-UHFFFAOYSA-N	234.259	-0.179	50	10	BBGE	
O=C(NN=C1CC(=O)N2CCC[C@H]12)c1cc[nH]n1	853393029	ZGSUCVALZVSPKQ-SECBINFHSA-N	247.258	-0.110	50	10	BBGE	
CC1(O)CC(C(=O)NNC(=O)c2cn[nH]c2)C1	862469602	PWQNUPDNOUQXDS-UHFFFAOYSA-N	238.247	-0.668	50	10	BBGE	
CCO[C@H](C(=O)NNC(C)=O)[C@H]1CCOC1	1261845870	QQZZDINTWVRUSN-IUCAKERBSA-N	230.264	-0.405	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H](O)C(C)(C)O	1587599261	FAPPKAMQOAPGBM-ZCFIWIBFSA-N	248.279	-0.326	50	10	BBGE	
O=C1C[C@H](NC2CC(Br)C2)C(=O)N1	1882558842	NGIYGFAYZMGKIQ-WRVKLSGPSA-N	247.092	-0.083	50	10	BBGE	
CNCCCSC[C@@H](C)C(=O)NN	1883305386	BGUTUUOPTPHJNG-SSDOTTSWSA-N	205.327	-0.045	50	10	BBGE	
C[C@@]1(CNS(=O)(=O)CCl)CC(=O)N1	1884199586	JMXPUHDRPRXDMN-LURJTMIESA-N	226.685	-0.619	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](F)C1=O	1889042925	QFLURIZBAHCFDB-WDSKDSINSA-N	203.217	-0.675	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)C=CC(=O)Cl	1893409804	ASWVTCJFPJTWLV-UHFFFAOYSA-N	214.612	-0.503	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)/C=C/C(=O)Cl	1893497612	JEENLJYCVJWBEP-BHYDHMSTSA-N	218.640	-0.441	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1cccc(B(O)O)c1	1901403125	HBVSPIMEWMQOID-SECBINFHSA-N	223.037	-0.924	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2(COC2)C1	1901765893	WSFRUCQYBUDRAX-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NCC1(O)CC(C(=O)NC2CC(Cl)C2)C1	1909249629	CRLMMQAALUFWJJ-UHFFFAOYSA-N	232.711	-0.028	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1COc1ncncc1B(O)O	1910814385	UAAGDGALEPZPMB-IUCAKERBSA-N	236.080	-0.173	50	10	BBGE	
C=CC[C@@H](C)O[C@@H](COC)C(=O)NN	1913340780	ILDDNGBSERQGJH-SFYZADRCSA-N	202.254	-0.028	50	10	BBGE	
C[C@H](CN(C)C1(CO)CCC1)C(=O)NN	1915004586	IXFXMDPLLNRAGZ-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)CCCC(=O)NNC(=O)C(F)(F)F	1923402313	GLCQJQUQURICGS-UHFFFAOYSA-N	241.169	-0.648	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)[C@H](C)C(=O)NN	1929907289	DEDVVZLQGMQXBH-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)[C@@H]1CCCO1	1930754834	VOTJZKWPZUWKLP-LURJTMIESA-N	215.253	-0.950	50	10	BBGE	
CN(CCCCO)CC1(C(=O)NN)CC1	1931259774	YINCXJKDTWTBAF-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
C[C@@H]1COC[C@H]1OCC1(C(=O)NN)CC1	1931266383	FAXAKFBKWNUSIY-HTQZYQBOSA-N	214.265	-0.192	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C(=O)[C@H]1C	1935925854	LSNAMFUSCOOMBX-RITPCOANSA-N	235.234	-0.274	50	10	BBGE	
COCC(COC)OC[C@@H]1C[C@H]1C(=O)NN	1936093180	BLDYUOOSWYKKQK-IONNQARKSA-N	232.280	-0.710	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941074088	OZAVPDRTMOXFOA-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@](C)(C(=O)O)C1	1943974746	UFXXPVJBSQZDEO-XCBNKYQSSA-N	245.279	-0.216	50	10	BBGE	
CN1CC[C@@H]2CCN(CCC(=O)NN)C[C@@H]2C1	1944029547	NEPFUVFHTQXUDD-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
O=C(CN1CC[C@@H]1CO)NNc1ccccn1	1944087235	COGNLTOMHYOPAS-SECBINFHSA-N	236.275	-0.409	50	10	BBGE	
CC[C@@H]1COCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1948698064	YRHXREZYEBRMNQ-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949697280	NENXQDBOLCCNHL-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
COCC[C@H](COC)N(C)C(=O)NN	1954919518	CXYKISYQNVLMNB-SSDOTTSWSA-N	205.258	-0.447	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@@H]1C(=O)O	1957258274	YXSFAARKTZHFRJ-RNFRBKRXSA-N	217.656	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(F)(CO)CC1	1957837128	SBOVUUUAJNQMAF-ZETCQYMHSA-N	219.260	-0.839	50	10	BBGE	
CC1(C)CC(=O)N1CC1(C(=O)NN)CC1	1958185583	RCKAIHJDIQPOLL-UHFFFAOYSA-N	211.265	-0.233	50	10	BBGE	
N#CC1CN(S(=O)(=O)N2CC[C@H](Cl)C2)C1	1960071562	VPBPUMGQABOEOV-QMMMGPOBSA-N	249.723	0.000	50	10	BBGE	
CCN(CC)CCN(C)[C@H](C)C(=O)NN	1961249442	BUQUFCTZRUDJCB-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C2CNC2)CC1	1962267802	REWLWVTYTZHKSC-SECBINFHSA-N	228.727	-0.293	50	10	BBGE	
O=S1(=O)C[C@@H]2C(n3nnnc3CCl)[C@H]2C1	1962340182	AESJTPTVZZHWKX-WHFBIAKZSA-N	248.695	-0.373	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)cc2)C1	1965008342	AYTLGMNCTQPRAY-UHFFFAOYSA-N	229.044	-0.928	50	10	BBGE	
CN1CC[C@H](NC(=O)CCl)CC1=O	1972291191	XSGKOWKIUOTJFU-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CC(F)(F)Cn1cc(B(O)O)ccc1=O	1975100407	DFTQBIKWLLYKSM-UHFFFAOYSA-N	216.980	-0.817	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cn(C)cn1	1976739851	RAFNVJMUEKACHJ-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
Cc1ncncc1CN1CC(=O)OC(=O)C1	1984239079	DZEZSVRRWICOTJ-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CO[C@@]2(CCCOC2)C1	1984303638	ZCXZCJSDLHLGPS-WPRPVWTQSA-N	229.280	-0.160	50	10	BBGE	
NC(=O)[C@@H]1C(=O)NCCN1CCCCCCl	1986328856	BIHPGWKELJHCDH-MRVPVSSYSA-N	247.726	-0.319	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](C2(O)CC2)C1	1987340574	LAGAWWABNFJOPF-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC[C@H]2O)CC1	1987463559	CPDRTOQQAXHZTP-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1OC2(CN(C)CCC(=O)NN)CC1C2	1989835832	YMZGTIXFBWHNLR-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCN1CC[C@H](c2nncs2)C1	1991152223	WUTRSENCVUFSTA-ZETCQYMHSA-N	241.320	-0.293	50	10	BBGE	
C=C(CN(C)Cc1nnccc1C)B(O)O	1992147573	NLPMNDYBLNVYLO-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
CN(CC1(F)CC1)c1ccc(B(O)O)cn1	1995035969	HWRDXUGUDXBZRC-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(CCCCC(=O)NN)C1	2000972028	MUZHTFDGDVKPDB-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN([C@@H]2CCCOC2)C1	2005215312	DJBWBDOEHLOVFV-NXEZZACHSA-N	242.323	-0.197	50	10	BBGE	
C[C@@H]1C[C@H]2CN(CCCC(=O)NN)CCN2C1	2010601290	UAUJNZAFMVALSA-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC(n2cccn2)C1	2011111549	DKRSICRHCFNVRG-UHFFFAOYSA-N	237.263	-0.965	50	10	BBGE	
C[C@H](CN1CCCC[C@@H]1CC(N)=O)C(=O)NN	2011912928	PDNORUJBGMKQBS-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
C[C@H](CN(C)CC1COCCOC1)C(=O)NN	2014493995	AGNBMLTWDFTPTK-SECBINFHSA-N	245.323	-0.793	50	10	BBGE	
CC(C)CC1(O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	2014744684	KFADEBWCVASIIV-NXEZZACHSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]1C1CC1	2014916663	DGBIJOLBZRERAG-JTQLQIEISA-N	236.055	-0.111	50	10	BBGE	
CC(C)(CN1CCO[C@H]2COC[C@@H]21)C(=O)NN	2017524663	GXJXBIXYPBYVNM-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
CCN1CC[C@H](N(C)CC(=O)NNC(C)=O)C1	2019216016	YUICDMDXHCNLGT-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2020056545	LYZMFDBDQVNJJK-RNLVFQAGSA-N	245.034	-0.038	50	10	BBGE	
CC1(C)[C@H]2CC(C(=O)NCC#CB(O)O)C[C@@H]21	2021157227	JGJOFDSZHQZLRA-UWVGGRQHSA-N	235.092	-0.200	50	10	BBGE	
OB(O)c1cnc(N2O[C@H]3C=C[C@H]2C3)c(F)c1	2021854210	NJWGWPPSMBHSCX-YUMQZZPRSA-N	236.011	-0.651	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3C[C@H]3C2=O)c1	2027483380	RBFNYOOOIQEDDZ-VHSXEESVSA-N	246.270	-0.337	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1c(=O)oc2cccnc21	2028053456	VEJWVNPGYSUNSX-RNFRBKRXSA-N	248.242	-0.385	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2COCC[C@@H]21	2052498614	GWBZVNGCLIWFNT-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
COc1cc(Cl)cc([N+](=O)[O-])c1B(O)O	2060016487	ZSVDEOPYIKZXHQ-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCc1ccc(OC)c(C#N)c1B(O)O	2060263062	GQQXTRRUNDZMIA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(B(O)O)c1C#N	2060281168	HKEFOJDJEHNUFT-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCN2C)c(B(O)O)c1	2066395354	QHCQNRNYXKRXPL-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)CCC12CC2	2211245173	NSPHKKUZDQZELG-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
CN1CC[C@@H](COc2nc(B(O)O)cs2)C1	2211764556	FWUNFFKOVVPMQS-SSDOTTSWSA-N	242.109	-0.847	50	10	BBGE	
CC(C)(CCN)Nc1cc(B(O)O)ccn1	2212604484	XIYRFTSILQPFJA-UHFFFAOYSA-N	223.085	-0.699	50	10	BBGE	
CCC[C@@H](CN)Oc1ncccc1B(O)O	2212605702	IZGGHUKGPTTWRU-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1cc(B(O)O)ccn1	2212607505	KTICAPMJBCAOTI-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@H]2C[C@@H]21	2215770528	CEUUGYVSYXXXGY-NAKRPEOUSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2CC1(CO)C2	2215773983	VJWJMZQIRZQCIV-QLWZBITOSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@]3(CO)C2)CCC1	2216492661	QNYGUQDVISJUIS-SKDRFNHKSA-N	239.319	-0.539	50	10	BBGE	
CC1(CO)CC(Nc2ccc(B(O)O)cn2)C1	2217171841	FVCHCWXLTZVDBB-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
OCC1(CNc2ccc(B(O)O)cn2)CCC1	2217173581	SNFKKQVFUSWQOW-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
COC(=O)C[C@H](C)Nc1ncccc1B(O)O	2217179288	JAORFAFVHABQOH-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
CN(CCCCCN)c1ccc(B(O)O)cn1	2217180047	DPDXZSCTOLDDTN-UHFFFAOYSA-N	237.112	-0.673	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2OCC[C@@H]2F)nc1	2217183463	LLHUFKCXMVALFW-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
C#CC1CCN(c2ncccc2B(O)O)CC1	2217197925	SXRSNPZWIYLAKN-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
CC1(C)C[C@H](Nc2ccc(B(O)O)cn2)[C@@H]1O	2217200695	VHRDFDJYBPENND-WPRPVWTQSA-N	236.080	-0.667	50	10	BBGE	
COC(=O)C[C@H](C)Nc1cc(B(O)O)ccn1	2217201235	OWMWUMTXJDFFCT-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
Cc1nc(OC[C@@H]2C[C@H]3C[C@@H]2C3)ncc1B(O)O	2222317871	XIYWBGIRWWOYOJ-AEJSXWLSSA-N	248.091	-0.110	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	2223675843	ZIGXSSXQJZUDIB-MBSJRHIBSA-N	245.091	-0.387	50	10	BBGE	
CCN(CC1CN(C)C1)c1cc(B(O)O)ccn1	2223680148	ZBXUIPBIKWDMKE-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
O=C(NC1CC(O)(CO)C1)[C@H]1C[C@@H]1Cl	2241592278	JGZNHIZMUSJGQZ-BASCLOEGSA-N	219.668	-0.384	50	10	BBGE	
CO[C@H]1[C@@H](NS(=O)(=O)CCCl)C[C@H]1O	2241854540	SVCZQLRZVUFMGV-XVMARJQXSA-N	243.712	-0.707	50	10	BBGE	
CN(CCCCO)C(=O)C1(B(O)O)CCC1	2243348306	WUKCDPSKBKRLOK-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1cc(B(O)O)c[nH]1	2243356736	MIHKOOMHOLNKMV-VDTYLAMSSA-N	242.471	-0.948	50	10	BBGE	
C=CCO[C@@H](C)CNC(=O)C1(B(O)O)CC1	2243364042	PZRUGQRGGGKNCU-QMMMGPOBSA-N	227.069	-0.299	50	10	BBGE	
CCOCCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243381129	CIVUHIOHMSROFL-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NCCCF	2243385216	FDTDKCAKKATZPZ-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2c[nH]nc2C1	2243392154	RTSACIMJBAFQOL-BQBZGAKWSA-N	221.025	-0.885	50	10	BBGE	
CCN1CC[C@H]1CNC(=O)C1(B(O)O)CC1	2243397665	HARWINHLBIKFJW-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)[C@H]1C[C@@H]1B(O)O	2243404975	XOUJJAVUZIQPBH-CIUDSAMLSA-N	227.069	-0.874	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243408939	XZLZNJRXPYTQCA-CBAPKCEASA-N	227.069	-0.587	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(C(F)(F)F)C1	2243420410	RVOYGOGFHSXNKU-WDSKDSINSA-N	236.986	-0.130	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CSCCOCC(=O)NN	2245081219	KSKOICMLHPYCIJ-RKDXNWHRSA-N	247.364	-0.276	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1	2247740354	JGQAUZWRPLZVEP-UTLUCORTSA-N	237.064	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	2247742414	OKEDUFIVVKJYLV-DTIDVZRVSA-N	231.060	-0.718	50	10	BBGE	
CC(C)C[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247746817	DVCHIVDHRAVDPU-QMMMGPOBSA-N	238.096	-0.141	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1occc1B(O)O	2247754939	OCRYQIZLIACZRH-BKPPORCPSA-N	235.048	-0.512	50	10	BBGE	
COCCOCCN(C)C(=O)C1(B(O)O)CC1	2247756031	KSWKSGXGLKQWOF-UHFFFAOYSA-N	245.084	-0.885	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)c(C)c1	2247760519	JJCFPMDFJZNMTQ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2247760849	OTCRRAUQNWJARV-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(CCCO)C1CC1	2247787860	VUOQFBMUCFXNAQ-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
CCC[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCNC1	2247789868	CCMHXDHWNLFQSU-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@@H]1CCCC12CNC2)[C@@H]1C[C@@H]1B(O)O	2247798790	XGLMIOIYIFVFTK-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807795	JGBXFBZFBXCULN-XWEPSHTISA-N	237.068	-0.413	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@@H]2C)c(B(O)O)c1	2247851693	ILNWKMGAFGIFOZ-QMMMGPOBSA-N	234.064	-0.696	50	10	BBGE	
CC1(C)COCN1C(=O)c1coc(B(O)O)c1	2247870106	DYFYBYYLIBWAPN-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
N[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C12CCC2	2247872735	XVORESOUNPRTJB-YUMQZZPRSA-N	238.096	-0.621	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1occc1B(O)O	2247877405	AIYISFFGWGXCPE-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
O=C(NCCCC1CC1)c1n[nH]cc1B(O)O	2247885519	MTSODYALOWVVHF-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@@H]1B(O)O	2247897833	XGTCWOAWZXUGRJ-YUMQZZPRSA-N	237.068	-0.162	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCCC[C@H]21)[C@H]1C[C@@H]1B(O)O	2247899720	PRRKGYPCUUWCNN-SQQIUAQRSA-N	238.096	-0.894	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1C(=O)O)[C@H]1C[C@H]1B(O)O	2248589418	PVKAOUPFISJKPK-OOJXKGFFSA-N	241.052	-0.924	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2249416535	TUIMNRCPJUQSLW-OIBJUYFYSA-N	237.064	-0.266	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1(C)CCC1	2249428598	RCIAYQQRFHAWHV-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCCC#CB(O)O)C1CC(C(F)F)C1	2250002954	QXWAMAXIAGRYJG-UHFFFAOYSA-N	245.034	-0.201	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(C)c(B(O)O)c1	2253233103	IHIJNUGUUOVDMH-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
C#CCCCCNC(=O)c1ccncc1B(O)O	2255444325	JYEKMXDHXYUYLR-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255477459	ZYXQWYUMJLLTTB-UFBFGSQYSA-N	248.091	-0.433	50	10	BBGE	
Cc1ccnc(NC(=O)c2occc2B(O)O)c1	2255489433	SYYUKUSAKCFIBK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cccc(F)c1B(O)O	2255503094	JSDITIUPYAYPSJ-RNFRBKRXSA-N	249.050	-0.356	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccc(B(O)O)cn1	2255521432	WQMBAPYQUIQWOJ-ONGXEEELSA-N	246.075	-0.710	50	10	BBGE	
Cc1cccnc1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2255569794	ZCMMZZZQBSIMDA-NXEZZACHSA-N	248.091	-0.088	50	10	BBGE	
O=C(N[C@H]1C[C@H](c2ncc[nH]2)C1)[C@@H]1C[C@H]1B(O)O	2255571346	OICLXVTYAXEHHK-FNCVBFRFSA-N	249.079	-0.365	50	10	BBGE	
Cc1cc(NC(=O)c2nc[nH]n2)cc(B(O)O)c1	2256674985	CXWLNNKRUAMVCN-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@H]2C1	2258129786	YTAOZKWKMHNZEB-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
O=C(NCc1cccnc1)c1cc(B(O)O)co1	2258139850	YWAMKVJUCYXXSD-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377225	ITEMGMJJWQGGJM-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CC(C)(CN)Nc1ccc(C=O)c(B(O)O)c1	2301421803	ZZTQFPUGNZJPEZ-UHFFFAOYSA-N	236.080	-0.672	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@H]2O)cc1B(O)O	2301452964	OOPMZBPMINRLPF-WDEREUQCSA-N	235.048	-0.886	50	10	BBGE	
NCC12CC(CCN1C(=O)C1(B(O)O)CC1)C2	2302050386	PVKYSUCAWDCDAO-UHFFFAOYSA-N	238.096	-0.667	50	10	BBGE	
C=C1COCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2306890157	LYDOJWXSKBEQML-MGCOHNPYSA-N	239.080	-0.346	50	10	BBGE	
CN(CC(=O)NN)Cc1ncc2ccccn12	2307454984	MVHIXBGRYVVAEL-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]3CN[C@H]2C3)cc1B(O)O	2312612262	LSTPUFZMANXELB-DVVUODLYSA-N	248.091	-0.801	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](Nc1ncc(B(O)O)cn1)C2	2312614988	UPFZQHBGAZDZNX-KKZNHRDASA-N	249.079	-0.864	50	10	BBGE	
CN[C@@H]1CCCN(c2ncccc2B(O)O)CC1	2317812505	RJYWEWAGODRWNX-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2321008081	GKHMTIVIELGTTK-KOLCDFICSA-N	248.091	-0.236	50	10	BBGE	
CCCNC(=O)CNC(=O)NC(=O)CCl	36781340	QVOHQIQKUADSLH-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
CCc1c(C(=O)NN)cnc2ncnn12	37393910	TYKFPISHDCFVPB-UHFFFAOYSA-N	206.209	-0.710	50	10	BBGE	
CNNC(=O)Cc1nc(-c2cnccn2)n[nH]1	39963224	GJKWDWHXTGGKQC-UHFFFAOYSA-N	233.235	-0.945	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCCl)C(=O)N(C)C	42576113	SAAQRKCZLFFDBM-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CNCCN(C)[C@H](C(=O)NN)C(C)C	69801835	IRBSFCNUTKOQGR-QMMMGPOBSA-N	202.302	-0.848	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)CCC1=O	71292128	BFBSACUOLULAGI-UHFFFAOYSA-N	227.264	-0.314	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCSC2=O)O1	82471407	YHHPUHUWKMTFLK-RQJHMYQMSA-N	245.304	-0.307	50	10	BBGE	
CCOC(=O)CSC[C@@H](C)C(=O)NN	82472479	NVXUAXPODJXUSP-ZCFIWIBFSA-N	220.294	-0.091	50	10	BBGE	
CCC(CC)(NCC(=O)NNC(C)=O)C(=O)O	94243037	WLUTYVPPWVBYEX-UHFFFAOYSA-N	245.279	-0.613	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC(N)CC2)o1	110597123	DOISTXJTBUODSI-UHFFFAOYSA-N	238.291	-0.194	50	10	BBGE	
O=C=Nc1nc2n(n1)CCCCS2(=O)=O	215500715	AJKGKIFDPWMZLO-UHFFFAOYSA-N	228.233	-0.187	50	10	BBGE	
CNC[C@@H]1CCCN([C@H](C(=O)NN)C(C)C)C1	216340271	MQBLCSGIGBJUKA-QWRGUYRKSA-N	242.367	-0.068	50	10	BBGE	
CN(CB(O)O)C(=S)[C@@H]1CCCN1	216505827	XQZIZUNFTKDBIR-LURJTMIESA-N	202.088	-0.990	50	10	BBGE	
C[C@H](CN1CCN2CCCC[C@H]2C1)C(=O)NN	251113458	PKAXIMGJUQIZAM-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](C)C1	300000136	YQOXPELPRWGLJV-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCCO	300815436	LWEYIHSVGWTAOQ-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](NC(=O)CBr)c1nc(=O)[nH][nH]1	306701799	LJPZPXWTNAFUPW-GSVOUGTGSA-N	249.068	-0.330	50	10	BBGE	
C[C@@H]1OCCN([C@@H](C)C(=O)NN)[C@H]1C	307400629	AHQJMVVQZMFGJL-FXQIFTODSA-N	201.270	-0.526	50	10	BBGE	
COCOCCc1cc(F)ccc1B(O)O	309546698	JGHDJBWSWOOHRQ-UHFFFAOYSA-N	228.028	-0.332	50	10	BBGE	
Nc1cc(OC(F)(F)F)cc(B(O)O)c1F	322275642	PXXUYDJPNITNCA-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCc2ncon2)[nH]1	381094266	VZUNPDOXZNSPDK-UHFFFAOYSA-N	241.642	-0.560	50	10	BBGE	
CN(C)C1[C@H]2CN(CC(C)(C)C(=O)NN)C[C@H]12	384775412	PPXJTEQGJCIEHN-IUCAKERBSA-N	240.351	-0.506	50	10	BBGE	
COc1cc(N2CCCC2)ccc1B(O)O	390204108	RTAYOQOQPDRVJK-UHFFFAOYSA-N	221.065	-0.025	50	10	BBGE	
NC(=O)NN=C/C(=C1/NCCCS1)[N+](=O)[O-]	393816215	BNOALPPBYGGEDD-RHFNAXPQSA-N	245.264	-0.187	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC(O)C1	394902074	CVUAGPQTMXZTFA-UHFFFAOYSA-N	235.287	-0.605	50	10	BBGE	
NNc1ccc(B(O)O)c(C(F)(F)F)c1	396038573	HOKYIWICJOJAFG-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
N#Cc1cc2c(CO)c(B(O)O)ccc2s1	396228966	VLQZCSRJGSUJKN-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc2ccsc2c(B(O)O)c1CO	396248561	QCXDOPSFAACHIQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
NNC(=O)CCCCCN1CCOC[C@@H](O)C1	399843172	CWTHNNDWCNUOIX-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
C=CCNC(=O)Nc1ccc(C)c(B(O)O)c1	405159542	CUEYXRFSZDFWAP-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
O=C(/C=C\C1CC1)NNC(=O)[C@H]1COCCO1	491934587	DTCMASIDLLVAJJ-ZBJFTSOASA-N	240.259	-0.485	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2COC[C@@H]2C1	690710883	IBFWABCPRCKYOT-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	692095639	MDZKGRAHKJAVBN-SCZZXKLOSA-N	229.324	-0.010	50	10	BBGE	
Cc1nn(Cc2cnn(C)c2C)c(C)c1B(O)O	692856731	UPIVABNHRDHEEA-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
Cc1nn(C[C@H]2CCN(C)C2)c(C)c1B(O)O	694271562	UFELRZJBOPTAEV-JTQLQIEISA-N	237.112	-0.869	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](CCF)C1	700560107	IBNMCCIQBVJHQJ-MRVPVSSYSA-N	219.260	-0.573	50	10	BBGE	
O=C(NCC1CS(=O)(=O)C1)OCCl	701898082	SELDCRBVGQTVRV-UHFFFAOYSA-N	227.669	-0.047	50	10	BBGE	
CC[C@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423869	GOTBRDBWKMZEAY-VQVTYTSYSA-N	226.232	-0.833	50	10	BBGE	
CN(N)C(=O)c1cccc(-c2nn[nH]n2)c1	704634554	BLUDJISOMWCZTB-UHFFFAOYSA-N	218.220	-0.188	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CCC(=O)NN	706193712	DQRRBCHJTLSAQX-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C(C)(C)O)CC1	716496012	KKJPAYQIRXIGGM-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
CCn1nc(C)cc1C(=O)NN(C)C(N)=O	770437968	GINXGEYAGKVGFG-UHFFFAOYSA-N	225.252	-0.133	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)Cn1ccnc1C#N	770646722	YCAYCQQXYFGUGY-UHFFFAOYSA-N	249.274	-0.052	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cc(=O)cc[nH]1	1138148894	XHCMMMUUWFYYEB-UHFFFAOYSA-N	230.227	-0.051	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1c[nH]c(C(N)=O)c1	1163316942	PRGZGMHFRHUULW-LURJTMIESA-N	240.263	-0.929	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)NC1CC(Cl)C1	1881807198	HAURLOWPMTUKBD-KTSQROGYSA-N	206.673	-0.420	50	10	BBGE	
O=C(NC1CC(Br)C1)c1nn[nH]n1	1882559033	PINQHSWLCMYNRD-UHFFFAOYSA-N	246.068	-0.145	50	10	BBGE	
C[C@H](CCl)C(=O)NC1(CO)COC1	1882927954	LROYFUDCITYYTC-ZCFIWIBFSA-N	207.657	-0.261	50	10	BBGE	
NCC1(O)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1883638428	GCALIELTZGFVHH-WDSKDSINSA-N	204.657	-0.854	50	10	BBGE	
CCOC(=O)CCCS(=O)(=O)N=C=O	1885167763	UZYKYKNVLUSISI-UHFFFAOYSA-N	221.234	-0.005	50	10	BBGE	
CN(C[C@H](O)CCl)C[C@]1(O)CCOC1	1886702562	GFGCTPNGWGAJMW-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)[C@H]1C[C@@H]1B(O)O	1893674781	LBIBEORNRDVRER-VZFHVOOUSA-N	201.006	-0.534	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1C[C@H]1C[C@@H]1Cl	1899711207	ZUVBJMKIGXAQDV-WUNNTHRKSA-N	221.684	-0.988	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@H](N)C1	1901368765	QYLPKEKZDAUFMW-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CC(=O)NN)n1nc2n(c1=O)CCCC2	1905534649	BAVWVKQXKFFHEH-SSDOTTSWSA-N	239.279	-0.678	50	10	BBGE	
Cc1ccnc(N2C[C@@H](C)[C@@H](F)C2)c1B(O)O	1907072535	LLBGITOSGAPYAF-BDAKNGLRSA-N	238.071	-0.136	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H](C)[C@@H](F)C2)n1	1907077861	ZNOAMFLNNMJVNH-XCBNKYQSSA-N	238.071	-0.136	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@@H]2CF)O1	1908716168	XSABBTPUGXLOJI-BBBLOLIVSA-N	245.298	-0.042	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCC=CCO)[nH]1	1911770042	QIVCOWOGUJXTGK-UHFFFAOYSA-N	229.671	-0.595	50	10	BBGE	
COC[C@@H](N=[S@@](C)(=O)C(C)C)C(=O)NN	1913903159	FCANRTTVGOAZBB-MLXNANBUSA-N	237.325	-0.503	50	10	BBGE	
O=C1CC[C@@H](O)CN1C[C@@H](O)CCl	1914099962	DYEKKQVHTUKXFB-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1(CO)CCC1	1915005324	XIARVFOOTFUYDJ-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C=C1COC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1918863360	NIHLUNHIMAGVOG-CIUDSAMLSA-N	223.228	-0.142	50	10	BBGE	
NNC(=O)CN1CC[C@@H](O)C(F)(F)CC1	1930423626	VVZPYUHSYTYSBU-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1csnn1	1930600576	HFBVOSXNIONTSH-YFKPBYRVSA-N	215.282	-0.652	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@H](F)C2)c1	1930621589	LGLXZKLQXLTBTR-CBAPKCEASA-N	212.033	-0.299	50	10	BBGE	
Cn1cc(OCC2(C(=O)NN)CC2)cn1	1931267510	VLCBSCNDKOBVFD-UHFFFAOYSA-N	210.237	-0.431	50	10	BBGE	
COC[C@H](NC(=O)[C@H](C)CCl)C(N)=O	1932166348	SKANZKHZWSBEIQ-RITPCOANSA-N	222.672	-0.522	50	10	BBGE	
O=C(CBr)NC[C@H]1COC[C@H]1O	1933390747	YWFLVKOPERXVIQ-NTSWFWBYSA-N	238.081	-0.495	50	10	BBGE	
CC12CC(C(=O)NNCCO)(CO1)C2	1935038966	LGVFCABFQNKLAO-UHFFFAOYSA-N	200.238	-0.831	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2[C@@H](C1)C2(F)F	1936089497	CVPZXZZMXRYLCW-LXGUWJNJSA-N	231.246	-0.191	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@H]2C1	1936525513	GOVYEEUQVKPCJS-AOOOYVTPSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](CN1CCOCC(C)(C)C1)C(=O)NN	1936981893	QCUCQJDPHRQLHA-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)Cn2ccnn2)C1	1937194324	QBPBBGQJMSVLKS-HTQZYQBOSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2OCC[C@H]2C1	1938635896	JGKMUNGGRPHNQB-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(CCF)CC1	1941084662	ZASCKQAXGORKKW-VHSXEESVSA-N	244.314	-0.801	50	10	BBGE	
CSC1CN(c2nc(B(O)O)cs2)C1	1956966023	OHJFDMMSKLWATD-UHFFFAOYSA-N	230.123	-0.626	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(=O)NC(=O)[C@H]1C	1958793623	MNOKRKFMRDWIKW-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
COC1CC(CCC(=O)NNC(N)=O)C1	1958797881	ATRYNZOENSKRMO-UHFFFAOYSA-N	215.253	-0.109	50	10	BBGE	
O=C1C[C@]2(CCN(C[C@@H](O)CCl)C2)CN1	1960156973	ZDKQZGKWLRQKSS-WCBMZHEXSA-N	232.711	-0.202	50	10	BBGE	
CCOC[C@H]1CCCN(CC(=O)NN)C1	1961262761	ZDEYJCQHERIAOD-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@H]1C[C@@H](OCC2(C(=O)NN)CC2)CO1	1961627625	CCAVINIFAFHIQS-JGVFFNPUSA-N	214.265	-0.050	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C2CC2)n1	1961718512	PPIXVJMQCZTHST-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
CC[C@@H](COC(F)(F)C(=O)NN)N(C)C	1974978537	ZCEWRDRIEPWUDB-LURJTMIESA-N	225.239	-0.074	50	10	BBGE	
CC1(CF)CN(c2nc(B(O)O)cs2)C1	1975033526	DYBJHXAOHSOYKZ-UHFFFAOYSA-N	230.073	-0.381	50	10	BBGE	
CN(Cc1ccon1)C[C@H]1C[C@@H]1C(=O)NN	1976755579	LCWCQVMKPNFCAK-APPZFPTMSA-N	224.264	-0.268	50	10	BBGE	
C[C@@H](CCCl)CCN(CC(N)=O)CC(N)=O	1978819960	KAHIPERQQTXFJT-QMMMGPOBSA-N	249.742	-0.086	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2nsnc2c1	1983599796	JSWGLJPSRXCBNS-UHFFFAOYSA-N	237.244	-0.380	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	1988761427	NFTSDTOAWQQKNZ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CCCOC1(C(=O)NCC=CB(O)O)CC1	1991325831	ACJLFOCQJGNQON-UHFFFAOYSA-N	227.069	-0.370	50	10	BBGE	
O=C(CC(F)(F)C(F)F)NCC=CB(O)O	1991326617	ITWCXYULIGYZMC-UHFFFAOYSA-N	242.965	-0.039	50	10	BBGE	
CN1CCC(C(=O)NCC=CB(O)O)CC1	1991327056	MULZCSAARPZTMI-UHFFFAOYSA-N	226.085	-0.987	50	10	BBGE	
OB(O)c1csc(O[C@H]2CCOC[C@H]2F)n1	1991729454	WWPRYTSCGIADOZ-RITPCOANSA-N	247.056	-0.671	50	10	BBGE	
C=C(CN1CCO[C@](C)(C(F)F)C1)B(O)O	1992144961	HAPWDJRZQPINDK-VIFPVBQESA-N	235.039	-0.089	50	10	BBGE	
C=C(CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C)B(O)O	1992145924	OUOOHGHKXSGMAL-IUCAKERBSA-N	247.125	-0.938	50	10	BBGE	
CC(C)(C(=O)NCC#CB(O)O)C1CCC1	1992152199	BATDRQMUWUNWEC-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
N#CC1(O)CCN(CCOC2CNC2)CC1	1993406231	CVLMVNIOUGJWCO-UHFFFAOYSA-N	225.292	-0.675	50	10	BBGE	
C[C@]1(C(=O)Nc2ccc(B(O)O)cn2)C[C@H]1F	1996646009	QTBMRVTZCGCBKX-XCBNKYQSSA-N	238.027	-0.552	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@](O)(CC(=O)O)C1	1997999521	PEQJYUPPZSFROV-JTQLQIEISA-N	245.279	-0.526	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CC2)[C@@H](C#N)C1	2004433068	VMLSCCQNAJXPSS-WPRPVWTQSA-N	237.307	-0.963	50	10	BBGE	
COC[C@H]1CN(CCC(=O)NN)CC(C)(C)O1	2008482791	VFRNKVGYIYAJMU-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)C[C@@]2(CCO1)CCN2C(=O)C(=O)NN	2009131508	HMLDJJPLSUJBKQ-NSHDSACASA-N	241.291	-0.464	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)C1CC(O)C1	2010835347	NMZVCDFGCHNXCB-NKVNRFPTSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](CO)C2)C1	2010836150	WZFFHQHRTOJQLW-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@](C)(CCO)C1	2014781370	QNKNKYDJJKIPNV-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
OB(O)c1ccccc1OCC1[C@@H]2COC[C@@H]12	2015138559	SOEDOUOUQNDXTH-RKDXNWHRSA-N	234.060	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@@H](C2)C1	2015194576	NWTUEIUBWWCQQK-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OCCCO)C1	2026096948	SPUOVHFUIGIZIP-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
N#CC1(O)CCN(Cc2nccc(NN)n2)CC1	2040195697	BBVAUXOSSZVZFX-UHFFFAOYSA-N	248.290	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1Cc2cccc(B(O)O)c2C1	2055630782	IZEBRAIRUIUNIB-LDYMZIIASA-N	249.050	-0.433	50	10	BBGE	
COc1c(Cl)ccc([N+](=O)[O-])c1B(O)O	2060017910	HUOBOERETPKLMW-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=Cc1cc(F)c(B(O)O)cc1[N+](=O)[O-]	2060055932	HLFYBXMRAJSEEW-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COc1c(C=O)ccc(B(O)O)c1[N+](=O)[O-]	2060264828	FUKGCFXCKXHAAE-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
OB(O)c1csnc1CN1O[C@H]2C=C[C@H]1C2	2211136785	VXXKLEYCNPCEMO-BQBZGAKWSA-N	238.077	-0.733	50	10	BBGE	
OB(O)c1csnc1CO[C@@H]1CCCOC1	2211141745	XRRUSUWPWJYRSO-SSDOTTSWSA-N	243.093	-0.482	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1	2211683878	WTDOFCRFSDFPFL-AYMMMOKOSA-N	243.137	-0.106	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)COC[C@@H]2C1	2211716971	GRPIVLXALFOBHP-SFYZADRCSA-N	246.694	-0.317	50	10	BBGE	
O=C(OCCl)N1CCN2C(=O)COC[C@@H]2C1	2211718448	QVPFIKLQWUKXSN-ZETCQYMHSA-N	248.666	-0.138	50	10	BBGE	
CC=C1CCN(c2cc(B(O)O)ccn2)C1	2212601819	UFDBLWUVEIHYCK-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC[C@@H](Oc1ncccc1B(O)O)[C@H](C)N	2212603136	CMKOIJYPBSUEQK-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](CF)C2)c1	2212610259	FWIAICGXXKOFIF-MRVPVSSYSA-N	224.044	-0.443	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)[C@H](F)C2)c1F	2217181090	YEKYIQDUJBUFTD-KNVOCYPGSA-N	245.997	-0.603	50	10	BBGE	
CCn1cc(Oc2cc(B(O)O)ccn2)cn1	2217188621	QZWNARURZZOCNP-UHFFFAOYSA-N	233.036	-0.230	50	10	BBGE	
N[C@@H](COc1ccc(B(O)O)cn1)C(F)(F)F	2217193966	YUTKKZRGAWZXSQ-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
N#C[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217195521	LCPKIHQMLNFHNT-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
OB(O)c1cccnc1NCCc1cn[nH]c1	2217197077	XEVPTPWALNOJHR-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
CN(Cc1ccns1)c1cc(B(O)O)ccn1	2217199015	JDUPENRLKTTZCL-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H](O)CC2)nc1	2217200532	LEWAKCUBUCBVPR-MGCOHNPYSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2217202679	YRKKWFRCGORSLH-NEPJDUFXSA-N	233.080	-0.387	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ccon1	2217204754	OMAPETIXIQAKLR-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(c1ccncc1B(O)O)C2	2222837840	AILYRUUDKMJFBT-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
CC[C@@]1(N)CCCN(c2ncccc2B(O)O)C1	2223641744	WDZZQLFJEBGVHF-GFCCVEGCSA-N	249.123	-0.531	50	10	BBGE	
CC[C@@H]1CNCCCN1c1ccc(B(O)O)cn1	2223645941	CXROQEHCJRVNHD-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2CC3(CC3)CO2)nc1	2223668864	CGZDVEMZERLBSH-SECBINFHSA-N	249.079	-0.863	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@H]2C[C@@H]21	2223669330	IMWXDDVHEZVWQA-VFRUTBLMSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](O)C3(CCC3)C2)c1	2223669841	PDEQCNBRTVIPMY-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1COC2CC1C2	2223676868	GYLTVELWHZYKEW-BOBPJJCASA-N	248.091	-0.625	50	10	BBGE	
C=C1CC(NC(=O)c2coc(B(O)O)c2)C1	2243347517	MYZZLOUVCJSOOJ-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C#CCN(CC#C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243391254	IHIKUHIJYOERDR-MGCOHNPYSA-N	219.049	-0.666	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2243392730	WMHIUBVRIKQGRN-CSMHCCOUSA-N	227.069	-0.467	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2243401163	NERYNAZJOFFKLD-UHFFFAOYSA-N	226.016	-0.750	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)o1	2243401916	ZBZQJTPPZFZNOR-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
C=C1CC(CO)(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243403657	AQJHTXFWIXATKH-YUMQZZPRSA-N	225.053	-0.953	50	10	BBGE	
CCCNC(=O)CN1CCC(B(O)O)CC1	2244179542	CFNCLWPEGHSNBS-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H]2CCO2)c1	2246226063	KOYBFBHZIIQOOU-VIFPVBQESA-N	222.053	-0.648	50	10	BBGE	
COc1ccc(CNC(C)=O)cc1B(O)O	2246248016	VVNWVHGVJPWGJV-UHFFFAOYSA-N	223.037	-0.989	50	10	BBGE	
CC(C)c1nc(CNC(=O)C#CB(O)O)co1	2247741948	IHFZPXKSYNNBSK-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
CCC(C)(C)CNC(=O)c1c[nH]nc1B(O)O	2247780679	DSCGXGRVZYHEPR-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CCC1(NC(=O)c2n[nH]cc2B(O)O)CCC1	2247782760	XPSZAGABBQJJAJ-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(N)=O	2247787550	QLPLVRFKWMFZIS-RNJXMRFFSA-N	242.084	-0.990	50	10	BBGE	
CO[C@@]1(C)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796980	FHQQEOYERYWXOE-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1(CO)CCCC1)[C@@H]1C[C@@H]1B(O)O	2247799452	DFQIHVQFQHBHSX-BDAKNGLRSA-N	241.096	-0.482	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247805049	AMWKBKXJJQQOCL-XKNYDFJKSA-N	240.112	-0.422	50	10	BBGE	
NC[C@]1(F)C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247809501	PTEDXTRNAFXAGH-DQUBFYRCSA-N	244.075	-0.958	50	10	BBGE	
O=C(N1CC(C2CNC2)C1)C1(B(O)O)CCC1	2247853340	KRWDDTSBRXIVPM-UHFFFAOYSA-N	238.096	-0.939	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247854475	DBOXFJXPGKWXHG-GUBZILKMSA-N	243.112	-0.237	50	10	BBGE	
CN(CC1CCC1)C(=O)c1occc1B(O)O	2247877644	COSYGOGUAIPSJF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247896081	DUIHBSZIQCRIAE-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
C=CCN(OC)C(=O)c1ccccc1B(O)O	2249517886	WFMJFHSLWZOWJR-UHFFFAOYSA-N	235.048	-0.444	50	10	BBGE	
CO[C@H]1[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C[C@H]1O	2249795041	JNCBDZRKWZXFHR-XRBOHMRVSA-N	241.243	-0.949	50	10	BBGE	
Cc1ccc(N)c(C(=O)NCC=CB(O)O)c1	2249913678	SPQWTNVRXAJTSL-UHFFFAOYSA-N	234.064	-0.125	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2250964741	KDQZAYMUPQHJDW-BBBLOLIVSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@@H]12	2255448224	BUWWHPWZUJGZNT-WEDXCCLWSA-N	249.075	-0.313	50	10	BBGE	
CCCC=CCNC(=O)c1ccc(B(O)O)cn1	2255524613	YESTWRSYYQBUJX-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2nnccc2C1	2255569255	UVWNQFULPBPUBP-RKDXNWHRSA-N	247.063	-0.776	50	10	BBGE	
Cn1cc2ccc(NC(=O)C#CB(O)O)cc2n1	2255672739	LKEUDTZVMWLEIJ-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1cocc1B(O)O	2258135382	RHFSYAYEWPXTHP-IUKDSNFXSA-N	247.059	-0.656	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ncc(B(O)O)cn1	2260399941	IYVSEYSEENGCLG-MRVPVSSYSA-N	249.079	-0.902	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298164792	IOTFXLTWAFQKFE-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2CCO[C@H]2C1	2298166158	XCHNNCUMROOGQN-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368751	VTGCLVIKWJSRSM-GENCIFFESA-N	238.096	-0.955	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368952	CZBJCNMSPRJWGV-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368995	FLPQNSFFMSFUBC-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
CCN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370265	UKAMVQCJIZMWHH-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376853	STJCUBMHHGJDSK-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCOC[C@@H]1F	2298377039	BORMLCORVSLUHL-HXFLIBJXSA-N	245.059	-0.565	50	10	BBGE	
C[C@H](Nc1ccc(C=O)c(B(O)O)c1)C(=O)O	2301453278	SYDFGNCMFTZWLA-LURJTMIESA-N	237.020	-0.936	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2302552386	TYMGXMGBRHTUNS-OPRDCNLKSA-N	243.112	-0.285	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COCC1[C@H]2COC[C@H]12	2302580641	UICAQDWXYXOIDR-YJFSRANCSA-N	240.303	-0.089	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12COCC(C1)C2	2303112305	QZNSPSHHUNRXIU-YUCVTWSNSA-N	239.080	-0.512	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC2(O)CC(C#N)C2)C1	2303121650	YUTHEUNOYSJSLL-HSOILSAZSA-N	238.096	-0.410	50	10	BBGE	
CC1(C)COC[C@H](CN2CC[C@H](B(O)O)C2)O1	2303147494	OMYHGKARFNNEOH-UWVGGRQHSA-N	243.112	-0.271	50	10	BBGE	
C[C@@H](CN1CC[C@@H](B(O)O)C1)N1CCOCC1	2303154400	KDZPKMAFUINSJZ-WDEREUQCSA-N	242.128	-0.744	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCN2CCOC2=O)C1	2303159333	GCLGWTJWLCWSJO-SNVBAGLBSA-N	242.084	-0.623	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303834606	IWIRRYGCUXOHPJ-RQJHMYQMSA-N	242.059	-0.528	50	10	BBGE	
CO[C@@H]1CCC[C@@H](OCC(=O)NN)C1	70543751	JVMVLRFTVZWVFA-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1nccn1C	82469277	BPTOSJIXOMXLAK-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
COCCN(C)CC(C)(C)C(=O)NN	86597959	NUZKISDGVDZFBK-UHFFFAOYSA-N	203.286	-0.419	50	10	BBGE	
CC1(O)CCN(CCCC(=O)NN)CC1	88023277	KVVYDZQCSCKOAT-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[C@@H]1O	127607841	USMLJFTVSKKOAZ-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
O=c1ncc([N+](=O)[O-])cn1C[C@@H](O)CCl	128682951	IQEMLCXUHZSTPR-LURJTMIESA-N	233.611	-0.249	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCOC1	161693276	UNFXLXZGNHOBKN-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
Cn1ncnc1COc1cccc(B(O)O)c1	203545132	UPRPQWCSFQZOTB-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C[C@H](N)C(=O)N[C@H](Cc1ccccc1)B(O)O	210175647	XFBLCWMXGZNGPY-WCBMZHEXSA-N	236.080	-0.927	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](C)C(=O)NC	233291640	FQAWHTKHMISZIE-RKDXNWHRSA-N	244.339	-0.541	50	10	BBGE	
Cc1ccc(B(O)O)c(Br)n1	238530061	DPTQXWZOOWAOFK-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
CNNC(=O)C[C@@H](N)C1CCOCC1	259148789	UMKKMQXJGJQGHW-MRVPVSSYSA-N	201.270	-0.619	50	10	BBGE	
Nc1ccc2c(N)c(B(O)O)sc2c1	306697554	ZRBDYUPYVOIKGO-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC(C(N)=O)C1	307652940	ORTVHTRQJAXZHZ-SCSAIBSYSA-N	233.655	-0.733	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)[C@@H]1CCCO1	309476979	SDAWSYFPWNJJNQ-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
CC(C)N[C@H](C(=O)NNC(=O)CO)C(C)C	309695874	RHHLSJBOHQCPKT-VIFPVBQESA-N	231.296	-0.851	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@@H](C1)C2(C)C	380347907	KSEOMONIDJRHAB-HRDYMLBCSA-N	227.308	-0.421	50	10	BBGE	
COc1ccc(CN2C[C@H]3C[C@H]3C2)cc1B(O)O	380350953	OAJAJTKXUYBNOF-PHIMTYICSA-N	247.103	-0.173	50	10	BBGE	
CC(C)C[C@H]1C[C@@H]1CNC(=O)C(=O)NN	388029581	HBGSOYZXQCYRLQ-JGVFFNPUSA-N	213.281	-0.225	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)C[S@](C)=O	399935580	ZFMXPPXUVGHDLL-DRTKUVKGSA-N	249.380	-0.156	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(=O)NC1CC1	405131669	GQQFKDVLTPYNDR-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H](O)C1CCC1	496430353	MLTHSHZONMQHJJ-SSDOTTSWSA-N	216.237	-0.123	50	10	BBGE	
CCOC(=O)NN=Cc1c[nH]c(=N)[nH]c1=N	496992663	ZDKRMHPPDLYKHW-UHFFFAOYSA-N	224.224	-0.618	50	10	BBGE	
O=C(NCB(O)O)[C@]12CCC[C@@H]1OCC2	687414033	QSEUSAORISOXMD-CBAPKCEASA-N	213.042	-0.926	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)C(=O)NN	687452338	HCAMWKFWYLHKOW-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
C[C@]1(CO)CCCN(CCC(=O)NN)C1	688022262	BJUDURQJWUWEHM-JTQLQIEISA-N	215.297	-0.539	50	10	BBGE	
Cc1nc(N)nc(N2CCC(O)(C#N)CC2)n1	692092942	VNADRRRDEGYAGF-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CCN([C@H]1CCN(C)C1)[C@@H](C)C(=O)NN	693436723	KQJYLSQQGJIVAA-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
COC[C@H](CO[C@@H](C)CCC(=O)NN)OC	695710036	MPUULFHEVMKEGY-DTWKUNHWSA-N	234.296	-0.177	50	10	BBGE	
CCn1nnnc1S[C@@H](C)CCC(=O)NN	706552807	KZQMODUZNZIYKM-LURJTMIESA-N	244.324	-0.056	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)CCBr	706796779	MQEBLXUWZXEZEM-UHFFFAOYSA-N	248.084	-0.057	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](C(C)(C)O)C1	719666350	IWODYMKBNHRWEC-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(NNC1=N[C@H]2C=C[C@H]1C2)[C@@H]1COCCO1	745210976	KLTHJKNJXLFOOT-CIUDSAMLSA-N	237.259	-0.621	50	10	BBGE	
CCCNC(=O)NNC(=O)COCCOCC	746847987	QSKVJSYJGGYENK-UHFFFAOYSA-N	247.295	-0.220	50	10	BBGE	
NC(=O)CC(=O)NNc1ccnc(F)c1	781361343	XWSCSKUQKVKNHZ-UHFFFAOYSA-N	212.184	-0.461	50	10	BBGE	
CN(NC(=O)[C@H]1CCC(=O)N1)c1ccccn1	862751656	KPCIQXJTOOYWHV-MRVPVSSYSA-N	234.259	-0.172	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)N(C)C)C1	900427515	MOYXRFSXZAOVAO-BQBZGAKWSA-N	215.253	-0.286	50	10	BBGE	
C/C(Cl)=C/C(=O)NNC(=O)[C@H]1COCCO1	900909623	ZVGWITODVBIWRO-FXXDRWHHSA-N	248.666	-0.308	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)O1	1135846476	LXBNJLGSMQYCHP-SSDOTTSWSA-N	237.215	-0.519	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ncccn2)CCN1	1290675732	VPLYNKZXTHWIMY-QMMMGPOBSA-N	249.274	-0.164	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CC1(O)CCOCC1	1339601424	CNXAIYGJGQCJBU-VIFPVBQESA-N	246.307	-0.738	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1nnnn1C	1556286296	HXIRBVXTOXYHRM-SREVYHEPSA-N	236.235	-0.730	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(CO)nc1	1625911854	FENHVYIQGVRYPE-UHFFFAOYSA-N	238.247	-0.510	50	10	BBGE	
CC/C=C(/C)C(=O)NNC(=O)[C@H]1COCCO1	1772834611	JAFCVUTYHJLUSV-USYJTPIQSA-N	242.275	-0.095	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@H]2Cl)CCN1	1883634954	QHYLIMVSUVBNHG-NTSWFWBYSA-N	202.641	-0.428	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883634962	QJKSMRKLHLZHAN-XVMARJQXSA-N	207.657	-0.263	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(O)CC1	1883647382	LQOHLJIJMHYXRI-OWOJBTEDSA-N	203.625	-0.051	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC2CC(Cl)C2)C1	1884412173	MSASLTYZJXMCOL-GHNGIAPOSA-N	239.724	-0.496	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CCCl)C[C@@H]2O1	1884556624	VKFUZTUJUQELHD-WDSKDSINSA-N	218.640	-0.066	50	10	BBGE	
Cn1cc([C@H](NC(=O)F)C(=O)O)nn1	1887186470	NTUUXIHYNJUNAD-BYPYZUCNSA-N	202.145	-0.380	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1CC[C@H]1N	1887485692	KPKDUCNTXLLHFA-RQJHMYQMSA-N	217.294	-0.623	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CCl	1888562803	AYRRNLWBQLYSCN-UHFFFAOYSA-N	228.701	-0.072	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(CO)(CO)C1	1893460350	DYJRABVIEGJVOD-BQBZGAKWSA-N	219.668	-0.573	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C(=O)N1C	1893851533	MYPIFRXETOFTHQ-RQJHMYQMSA-N	214.269	-0.489	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCN1CCCC1	1895379856	KOKCNCIBRYHYCB-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H]1CC[C@@H]2N)S(C)(=O)=O	1901344751	VWXOJGLRTSWCJU-ACLDMZEESA-N	247.320	-0.964	50	10	BBGE	
C[C@H](N)[C@@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901349305	XQPIFEKADHGFIB-RQJHMYQMSA-N	249.336	-0.575	50	10	BBGE	
CN(C)NC(=O)[C@@]1(CCF)CCNC1	1901715273	CVENRHKQYBKYEG-VIFPVBQESA-N	203.261	-0.082	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@](C)(O)C1	1901757106	NXMHYTCBGLPHSS-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1CN([C@H](C)CCCC(=O)NN)C[C@@H]1O	1902156049	UOQKFDOJKURYLM-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
CCC1(F)CN(Cc2nc(B(O)O)cs2)C1	1902640058	YTNXEEIKBPKLMA-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cnsc1B(O)O	1905068021	BKPPXPKJMUAJNA-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
COc1ccc(C=CC(=O)NCB(O)O)cc1	1911738691	FLAMWXWOHDSVHW-UHFFFAOYSA-N	235.048	-0.163	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)C12CCC2)C(=O)NN	1914396487	OAQHPVGFZJEMQU-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCOC1CC1	1914550235	GLTQAUNRJGNZJM-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCOCC2)C1	1915590254	NDMFBGISIIXRTJ-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
NC(=O)NNC(=O)C12CCN(CC1)CC2	1928065327	RKAHKBFMDIEMHF-UHFFFAOYSA-N	212.253	-0.828	50	10	BBGE	
O=C(NNCCO)N[C@H]1C[C@H]2CC[C@H]1C2	1929829969	DBJJNXWPPYZPAI-CIUDSAMLSA-N	213.281	-0.029	50	10	BBGE	
C[C@H]1CC(C(=O)NNCCO)C[C@H](C)O1	1929835646	VUYYANFHNGTNPG-YUMQZZPRSA-N	216.281	-0.197	50	10	BBGE	
C[C@]12C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	1932250819	YWSCSLCRZLAKTC-HTRCEHHLSA-N	219.235	-0.047	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@@H]1C[C@@H]1C(=O)NN	1936085810	SAGCIILHCFCIMR-XGEHTFHBSA-N	225.292	-0.131	50	10	BBGE	
CCN1CCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936093707	GWGBKBMIKGSTLG-HTQZYQBOSA-N	226.280	-0.630	50	10	BBGE	
CCC[C@]1(O)CCN(CCCC(=O)NN)C1	1937984914	FPCGBZWDNVPIAV-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
CN(Cc1ccnn1C)C[C@@H]1C[C@H]1C(=O)NN	1941086283	ICGJZFBZDHLALV-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
O=C1CN([C@@H]2CCO[C@@]23CCOC3)CC(=O)O1	1941135395	DOICMNYHXPIEOQ-LDYMZIIASA-N	241.243	-0.680	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1942494568	LWIBNTCEBFFMAB-VDDIYKPWSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)[C@H]1C(N)=O	1942615842	KZMCQDLJJCRRSD-FNCVBFRFSA-N	242.323	-0.803	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)C3(CC3)C2)CC1	1945888779	HCLHUEIEAWSQQC-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1COCC[C@@H]1C	1947204025	QPPMNGPTOXOQGV-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H](CN1C2CCC1([C@@H](C)O)CC2)C(=O)NN	1947845401	NJKKXRRRKBGCGT-SKMKEBHYSA-N	241.335	-0.010	50	10	BBGE	
Cn1cnc(Cl)c1[C@@H](N)[C@H](O)C#N	1953042839	VVSRDLWXSVEXFS-UHNVWZDZSA-N	200.629	-0.042	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ccon1	1958699699	PUJPPUXPYOQJLM-UHFFFAOYSA-N	212.253	-0.124	50	10	BBGE	
Cn1cc(CCN[C@H]2COC[C@H]2Cl)nn1	1960021367	GRXYSYPUZNPYTK-BDAKNGLRSA-N	230.699	-0.047	50	10	BBGE	
CC[C@@H](C(=O)NN)N(OC)[C@@H]1CCOC1	1960127976	ZZBXIHSUWWFONX-SFYZADRCSA-N	217.269	-0.593	50	10	BBGE	
Cc1cc(B(O)O)cc([N+](=O)[O-])c1C#N	1974578092	XTYCBQUYLKOEIA-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSCCCO	1980595080	WYIHYGLVVWXJIN-UHFFFAOYSA-N	244.320	-0.361	50	10	BBGE	
NNC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1	1981083756	WGDMFWHBPWBQCN-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnn(C)n1	1981349829	YWUIXINWKLJUOQ-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](CO)CC(C)(C)C1	1981411968	PXROENWKOHEDGW-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ncccc2B(O)O)C1	1981423973	MDLKIPHDKZPHHE-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
C=C1CON(c2ccc(B(O)O)c(C)n2)C1	1981472887	USJSLKMCQVQLNZ-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
N#Cc1ncn(CCC(F)(F)C(=O)NN)n1	1984127936	GWWNEAYBSGMJNL-UHFFFAOYSA-N	230.178	-0.835	50	10	BBGE	
OB(O)c1csc(OC2CC3(COC3)C2)n1	1985547098	AJZRMDXXCJCOBT-UHFFFAOYSA-N	241.077	-0.619	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](F)C1	1985769668	MFANIDWYOUPFJA-LURQLKTLSA-N	233.262	-0.006	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN=c1[nH]c(CCl)nc(=N)[nH]1	1987751378	UKVQPOMRVBRWEN-PHDIDXHHSA-N	243.698	-0.108	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(O)(c2ccsc2)C1	1989950213	XGTIUDBWLGUSKU-SSDOTTSWSA-N	241.316	-0.370	50	10	BBGE	
COCCN(CC(=O)NNC(C)=O)C1CC1	1990774219	GGMVJGNWXYVZJS-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
COC[C@H](C)C(=O)N[C@H]1CCC=C1B(O)O	1991326631	IXJWWEXNZCRADO-CBAPKCEASA-N	227.069	-0.514	50	10	BBGE	
COC[C@@](C)(CN(C)CCC(=O)NN)OC	1992136204	PMKQAHAMBBWCJE-SNVBAGLBSA-N	233.312	-0.650	50	10	BBGE	
CCNC(=O)C1CN([C@@H](C)CCC(=O)NN)C1	2002652855	SNBKWFVSHPJGCH-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)CCCO1	2004918738	PEMULFFDGGYEFJ-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCC[C@H]32)nc1	2004918841	QSQBMRUDKVQGBV-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cn2)CCOCC1	2004950707	ISYKQHVDLFVREE-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2005804594	CBRYRBRQELLWOC-GBNDHIKLSA-N	245.229	-0.522	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1nc(C(=O)NN)co1	2011155456	NGFCHEJEWDTKKS-POYBYMJQSA-N	240.263	-0.767	50	10	BBGE	
CC1(C)CC[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2014906058	ZTZVKXXXVAGQMT-NKWVEPMBSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1O[C@@]2(CN(C)C(=O)C(=O)NN)CC[C@H]1C2	2021509125	RQJMPXKBGLWCJQ-FYBVGQRMSA-N	241.291	-0.608	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccccc1B(O)O	2022196069	GHHFYXDTNRVMAL-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(B(O)O)cn2)CCO1	2025211764	KACNTLLQBNZYPB-WCBMZHEXSA-N	237.064	-0.292	50	10	BBGE	
CCOc1c(B(O)O)ccc([N+](=O)[O-])c1C	2060025103	MQRARLCTXKAWLB-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1c(C=O)cc(F)cc1B(O)O	2060113593	OVIQPFJZLXXUHT-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
N#Cc1c(OC(F)F)ccc(B(O)O)c1F	2060262388	OYIHXTRSVMNWLP-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)n(C)n1	2076075851	HZWAMKANOQDDMP-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1O[C@H]2C=C[C@H]1C2	2078463705	VSRWOHQLJWISMO-YUMQZZPRSA-N	249.274	-0.532	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2(CCC2)C1	2079009412	RNBSHRLAQBKWJY-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
CC1CN(Cc2cc(B(O)O)cs2)C1	2209686623	RXLCDVWTOQBNGZ-UHFFFAOYSA-N	211.095	-0.120	50	10	BBGE	
NNC(=O)Cn1cc2ccccc2cc1=O	2211286761	NQVYXRFIRKVMBT-UHFFFAOYSA-N	217.228	-0.009	50	10	BBGE	
OB(O)c1ccnc(N2CC(C(F)F)C2)c1	2212600385	CFZNLJKZKGAFNE-UHFFFAOYSA-N	228.007	-0.537	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1cc(B(O)O)ccn1	2212603926	RYQRCMBKUGLBSX-JGVFFNPUSA-N	224.069	-0.667	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)C(F)F	2212605068	XBAZNJPZODEBDY-ZCFIWIBFSA-N	231.011	-0.388	50	10	BBGE	
C#CCC(C)(C)Nc1cc(B(O)O)ccn1	2212610848	PXYSHTLGNCPGPT-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
CC#CC(C)(C)Nc1ncccc1B(O)O	2212611571	BJBNJFQCQXFHEC-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@H]1CO	2215774914	YVGZXFYZQJJNDJ-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
COC[C@@H]1C=CCN1c1ncccc1B(O)O	2217172775	MJLJMCGMPCABCG-VIFPVBQESA-N	234.064	-0.847	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1nccc(B(O)O)c1F	2217181473	QGVDHILDKRJLMV-RNFRBKRXSA-N	242.059	-0.528	50	10	BBGE	
CO[C@@H]1C[C@H]1CNc1nccc(B(O)O)c1F	2217183609	JUWRCEGQIGTRNI-POYBYMJQSA-N	240.043	-0.653	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)c(C)cn1)[C@H](C)O	2217185381	WEVZOJLIHXHPRL-WPRPVWTQSA-N	238.096	-0.359	50	10	BBGE	
Cc1cc(Oc2nccc(B(O)O)c2F)n[nH]1	2217192357	NYGPECGCSSCCBE-UHFFFAOYSA-N	236.999	-0.276	50	10	BBGE	
N#C[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2217203548	WPYQVOJMHNEVFN-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
COC1(CN(C)c2cc(B(O)O)ccn2)CC1	2217203870	BFIHDJCOUURJJG-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@H]1O	2217204695	NNHGTZKOLLCXNW-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1CNCCN(Cc2cccc(B(O)O)c2)C1	2220063157	PYTFDGJGYAVAHT-LLVKDONJSA-N	248.135	-0.592	50	10	BBGE	
C#C[C@@H](Nc1ncc(B(O)O)cn1)C1CCCC1	2223632400	JGPIZIXBUQXLPQ-LLVKDONJSA-N	245.091	-0.240	50	10	BBGE	
C[C@H]1CCCN(c2cc(B(O)O)ccn2)[C@H]1CN	2223635352	WBPQNPAMKJUPIL-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1Nc1ncccc1B(O)O	2223667636	RCBBGYHARGSVAT-GXSJLCMTSA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]3C=C[C@H]2C3)[nH]c1	2223671529	NKVYTWGAUPJPJX-GARJFASQSA-N	244.103	-0.193	50	10	BBGE	
C[C@H]1CC[C@H](CNc2cc(B(O)O)ccn2)N1C	2223678927	JQTKAUIXFIEXKW-GXSJLCMTSA-N	249.123	-0.344	50	10	BBGE	
O=S(=O)(NC[C@H]1CCO1)N1CC(Cl)C1	2241332709	WYYGOQBIJUNZIX-SSDOTTSWSA-N	240.712	-0.467	50	10	BBGE	
O=S(=O)(CC1CNC1)N[C@H]1C[C@H](Cl)C1	2241668079	PYZDOBIBTRMVPW-ZKCHVHJHSA-N	238.740	-0.105	50	10	BBGE	
CCC1(O)CN(C(=O)C2(B(O)O)CCC2)C1	2243346790	CTHZPTSPFFPSAM-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C2(B(O)O)CC2)CO1	2243363516	HWIRLSBJNBPFCZ-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
CON(C)C(=O)c1cc(C)ccc1B(O)O	2243367352	RNBSWZKAJATKEG-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
C=C(CC)CNC(=O)c1occc1B(O)O	2243411192	PNTRNKTUIBLVIN-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
Cc1csc(C(=O)N2CC=CC2)c1B(O)O	2243415049	NHLKMLNVBLXNHS-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
O=C(NCCC1CC1)c1cc(B(O)O)cs1	2243419723	FPFVBNVMQATQGK-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CC[C@H]2C1=O)C(=O)NN	2243496022	CCAPTYHGXVAMSR-LYFYHCNISA-N	225.248	-0.993	50	10	BBGE	
CC1(C)C[C@]1(C)C(=O)NCCC#CB(O)O	2244548758	UEMHYWBXJDCCDI-LLVKDONJSA-N	223.081	-0.056	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1coc(B(O)O)c1	2247735894	PTRMANJDCPJUOJ-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2247740368	JLXPQNAXWOWVHD-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247756208	RYGNVKBENLHJFQ-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C=CCONC(=O)c1c(C)cccc1B(O)O	2247761548	WDVYALAINCJEAV-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCNCC1	2247796788	CUCZCIIIMAAFJZ-FXBDTBDDSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCc1ncccc1O)[C@H]1C[C@H]1B(O)O	2247796852	DLONUORDWHPHKL-NKWVEPMBSA-N	236.036	-0.734	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247797052	FUZLREZTBYCQLR-AFWXGSBKSA-N	240.112	-0.552	50	10	BBGE	
O=C(NCC1CCOCC1)[C@H]1C[C@H](B(O)O)C1	2247797543	KPKZHSHEJUXHJC-MGCOHNPYSA-N	241.096	-0.218	50	10	BBGE	
CCCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CNC1	2247806836	GMPDOXLWICIHBB-KYZUINATSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCCCOC1CCC1)[C@@H]1C[C@H]1B(O)O	2247807148	QBIFZJKLWQRLAD-NXEZZACHSA-N	241.096	-0.075	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247809106	NVRSSFTWSOPRJY-SEZDTBSWSA-N	243.112	-0.237	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247809556	QCALSOZGIFJLCJ-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
C[C@@]12CC[C@@](CNC(=O)C#CB(O)O)(C1)OC2	2247848747	PVWVSMOCFDREQN-MNOVXSKESA-N	237.064	-0.923	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)C1(B(O)O)CC1	2247855321	QMIMKJOWAUCQER-MRTMQBJTSA-N	239.080	-0.729	50	10	BBGE	
O=C1[C@@H]2CCCC[C@@H]2N1C(=O)C1(B(O)O)CC1	2247878006	GWTWBPBLTKHZSQ-SFYZADRCSA-N	237.064	-0.079	50	10	BBGE	
CC1(C)CNCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247887948	UCFCCDOUTJGZCZ-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893868	ZUUIMWCFGHRAHE-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]2C[C@@H]21	2247895367	RKJAZZNWQRVKHR-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)C1CC(B(O)O)C1	2247908991	CYAGMYBYEUJIHY-HZUXAKDWSA-N	239.080	-0.610	50	10	BBGE	
CCN(CCCC(=O)O)C(=O)C1(B(O)O)CC1	2248573582	GUJVXVSZMHPPQC-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1cocc1B(O)O	2249424050	NREOBGTZMSKEDH-WRWORJQWSA-N	235.048	-0.368	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@H]1CC=CCC1	2255464402	WDBXIEPLXUESOY-JTQLQIEISA-N	248.091	-0.125	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nn1cccc1	2255497910	JNDYGQHZXIGIMD-UHFFFAOYSA-N	247.063	-0.627	50	10	BBGE	
Cc1ccc(C(=O)N2CC=C(F)C2)cc1B(O)O	2255512801	GCZGMRHSDKWWOX-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1ccc(B(O)O)cn1	2255518663	NJADYCUZBOUEKL-UFBFGSQYSA-N	248.091	-0.463	50	10	BBGE	
CC1CCN(C(=O)c2ccc(B(O)O)cn2)CC1	2255520861	PNKMUYLJTLRYBL-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2c[nH]nc2B(O)O)C1	2255554092	HYVKRSBSXMDFSE-ZETCQYMHSA-N	249.079	-0.872	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1nccc(C)c1B(O)O	2255580449	CSVKMDMBCIIIOY-DTWKUNHWSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]2CC[C@@H]21	2255669748	STTGEQQBWUAACQ-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ccc(B(O)O)cn1	2255717366	YVMQXBRWXZKLGB-UHFFFAOYSA-N	248.091	-0.297	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@@H]2CC[C@H]21	2255722347	NKXMNAXVABLWQT-WCBMZHEXSA-N	246.075	-0.614	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1cocc1B(O)O	2258135189	YWEFBVCYJBPATN-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165784	YGKXTGLHINSSMN-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368591	NJBGGXHVCFBDQL-YBEMZLNNSA-N	239.080	-0.467	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371619	QCRFWLDWSBEXCI-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CCC(CC)[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298374615	DPXJMDRMZQKFLJ-UTLUCORTSA-N	243.112	-0.237	50	10	BBGE	
O=C(O)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2298462926	LWMUSBYJGPLIJO-BWZBUEFSSA-N	241.052	-0.781	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1cc(B(O)O)ccn1	2307297783	WQWSGOBEUFFUJH-CZMCAQCFSA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@@H]3C[C@H]2CO3)c1	2312741223	DJMGYPFCZQHFIF-GDPRMGEGSA-N	248.091	-0.259	50	10	BBGE	
NNC(=O)[C@@H]1CCCN1C1CCNCC1	69635730	UNYOSUCCLYUWSW-VIFPVBQESA-N	212.297	-0.807	50	10	BBGE	
NNC(=O)CCCSc1nnnn1C1CC1	82471957	XHSIKMGBATUTLC-UHFFFAOYSA-N	242.308	-0.130	50	10	BBGE	
NCCSCc1cc(C(=O)NN)no1	82473006	QYVPYAMBNMLTGM-UHFFFAOYSA-N	216.266	-0.530	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)[C@H](C)C1	82485321	IZUOJOKQNXSAHQ-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
O=C1CN(C(=O)CCCl)CCCN1	83747964	BUFRKLQGGVJPAW-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
CC(C)(Cn1ccccc1=O)C(=O)NN	86598102	KNCKDBLNSSGYDU-UHFFFAOYSA-N	209.249	-0.136	50	10	BBGE	
COC(=O)[C@H]1CCN(C(=O)NC(=O)CCl)C1	87416499	IUPVLOJKCSIMMY-LURJTMIESA-N	248.666	-0.044	50	10	BBGE	
CN1CCC(O)(O)[C@@H](Br)C1	95924365	RLJQMTRQJNAXSR-YFKPBYRVSA-N	210.071	-0.234	50	10	BBGE	
Cc1cnc(=O)n(Cc2cc(C(=O)NN)no2)c1	110603730	GWFSLXOGTLJAQP-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
O=C1N[C@H]2CSSC[C@@H]1NC2=O	146671658	UGQDRKXXFLEQNT-IMJSIDKUSA-N	204.276	-0.635	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1CSCCN1	147298588	VHTWTTHTZYMUEO-SSDOTTSWSA-N	203.311	-0.326	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(O)CCOCC1	162489474	WJQOOIMIXOZSOW-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@H](B(O)O)C1	211340017	RISVMOLYLYGSJZ-NKWVEPMBSA-N	206.072	-0.183	50	10	BBGE	
COC(=O)N1CCC[C@@H](CC(=O)NN)C1	215366475	OJBVJGIHWNOMRN-ZETCQYMHSA-N	215.253	-0.155	50	10	BBGE	
COC[C@H](CCCl)NCc1nnn(C)n1	228118267	IRHIHUFAAXPFDD-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)CC(F)(F)F	231593577	QTLDJXDIOLMVAQ-RXMQYKEDSA-N	229.202	-0.779	50	10	BBGE	
O=C(O)[C@H](Br)S(=O)(=O)O	238662126	LUKWLIGSXPGYPJ-PVQJCKRUSA-N	219.012	-0.320	50	10	BBGE	
COC(=O)[C@H](Br)CNN(C)C	300012139	YSWUNVMBTSZDFR-RXMQYKEDSA-N	225.086	-0.011	50	10	BBGE	
CN(CCCO)Cc1cc(C(=O)NN)no1	300758546	ABNUTMVRSJCMEQ-UHFFFAOYSA-N	228.252	-0.908	50	10	BBGE	
COc1cc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)nn1C	300886763	AWZUOUGOEPOYFE-NKWVEPMBSA-N	243.650	-0.224	50	10	BBGE	
NNC(=O)NCCn1cc(Br)cn1	306510104	CNCINSXFAKPPOC-UHFFFAOYSA-N	248.084	-0.182	50	10	BBGE	
Nc1ccc2scc(N)c2c1B(O)O	307028254	MSOLKQVEBJUDGD-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	381537378	HGEIZMFGVXNVJX-MWLCHTKSSA-N	226.324	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](CO)CC1	383282136	YEZJEQFSSHQECF-SNVBAGLBSA-N	243.307	-0.752	50	10	BBGE	
CC(C)(CCN(CCO)C1CC1)C(=O)NN	395588266	GPRQPNHOUUUYMJ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(CO)c1	396039494	JTZWRHQNDINQIH-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
C=CCC(=O)Nc1ccc(B(O)O)cc1	405065055	UMCNQMLKYSMMJD-UHFFFAOYSA-N	205.022	-0.119	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@@H]2NCCN[C@@H]21	685990268	PBRPDECAAVQWHZ-KXUCPTDWSA-N	226.324	-0.691	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)Cc1cccc(B(O)O)c1	688226417	XGIHYOSAMYHJIU-MFKMUULPSA-N	249.119	-0.167	50	10	BBGE	
CCC[C@@H](OC[C@@H](COC)OC)C(=O)NN	695707475	DVVCGNDNSNNDCG-RKDXNWHRSA-N	234.296	-0.177	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H](C)[C@H](O)CO	698872589	LICJEAUOPPFBEM-HCWXCVPCSA-N	240.097	-0.372	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CO1	700279438	VVEGCHRNHMDILJ-JTQLQIEISA-N	249.270	-0.766	50	10	BBGE	
NNC(=O)CCCN1CCC(N2CCC2)CC1	700435409	GBCBYTTUCMFUMR-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(C)O[C@@H]1CCN(CCC(=O)NN)C1	701684609	CNWUFWPTZXAGQT-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1Cl)[C@H]1COCCO1	706693743	GRMHEMBHHUDOPR-DJLDLDEBSA-N	249.694	-0.086	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708091619	ACNWKOFOBOIONM-UTINFBMNSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1Cc1ccccc1B(O)O	708377445	VGUVVZGVFWHXQY-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@@H](C)C(=O)NN)CCO1	708954143	UJMRYISZVNDVRG-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@]12CCC[C@H]1C2	710328788	YTNHAYRRMNBJDT-UFBFGSQYSA-N	246.075	-0.110	50	10	BBGE	
CC(=O)N1CCc2cccc(B(O)O)c21	712183293	WVRZVEJGCTYCDI-UHFFFAOYSA-N	205.022	-0.725	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715400454	GQJMYGUSAGMERV-XVMARJQXSA-N	219.235	-0.048	50	10	BBGE	
CN(C)C[C@H](Cl)CNS(=O)(=O)N(C)C	717297114	HAILFXMUBJURGL-SSDOTTSWSA-N	243.760	-0.449	50	10	BBGE	
NNC(=O)CCCCN1CCS[C@@H](CO)C1	720070813	BSDVNQKJUGIVMP-SECBINFHSA-N	247.364	-0.444	50	10	BBGE	
CCc1cc(NC(=O)NNC(=O)CO)no1	756685402	DGHIKHPMWUKCPK-UHFFFAOYSA-N	228.208	-0.618	50	10	BBGE	
NC(=O)C(=O)NN=C1CCCSCC1	853260492	WDJAQQKKBQVNBP-UHFFFAOYSA-N	215.278	-0.139	50	10	BBGE	
CN(NC(=O)C1(C(N)=O)CC1)c1ccccn1	862751300	BZDOKBMRTPSOGS-UHFFFAOYSA-N	234.259	-0.186	50	10	BBGE	
CC(=O)NNC(=O)/C=C/c1ccncn1	1290391814	LWWYNEVNXUJINV-NSCUHMNNSA-N	206.205	-0.343	50	10	BBGE	
CC(=NN(C)C(N)=O)[C@H]1COCCO1	1323255809	LWELRYTXFHOULI-SSDOTTSWSA-N	201.226	-0.212	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2ncc[nH]2)n1C	1335313057	GUTUYHOFXQWISM-UHFFFAOYSA-N	235.251	-0.468	50	10	BBGE	
COC(C)(C)C(=O)NNc1nccn(C)c1=O	1339890047	CQPSEVUOOFMGLE-UHFFFAOYSA-N	240.263	-0.352	50	10	BBGE	
CNC(=O)NNC(=O)c1coc(OC)n1	1351364085	KNTGPUPGMZSZFQ-UHFFFAOYSA-N	214.181	-0.743	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNc1ccncn1	1569313661	GQIGDTMKPAIWAF-ZCFIWIBFSA-N	223.236	-0.569	50	10	BBGE	
CC(=O)NNC(=O)CCc1cc(C)[nH]n1	1628981978	SAJFKQLGOZFNQN-UHFFFAOYSA-N	210.237	-0.182	50	10	BBGE	
COC(=O)N(C)NC(=O)/C=C\C(=O)N(C)C	1636249152	DHKOGOHQJGOXAD-WAYWQWQTSA-N	229.236	-0.640	50	10	BBGE	
CCC(=O)N[C@@H](C)C(=O)NNc1ccncn1	1637047446	YFWPJJWKVGATIP-ZETCQYMHSA-N	237.263	-0.166	50	10	BBGE	
CC(C)(C)C(=O)NN(CC(=O)O)CC(=O)O	1858081354	GIMSLQMHRPFODJ-UHFFFAOYSA-N	232.236	-0.465	50	10	BBGE	
NCC1CN(C(=O)C=CC(=O)Cl)C1	1883626667	JSWHXBABDKMKKC-UHFFFAOYSA-N	202.641	-0.275	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](N)[C@@H](CO)C1	1885199843	DDYPWGPMHMMWPT-HRDYMLBCSA-N	217.700	-0.241	50	10	BBGE	
CONS(=O)(=O)c1cn(C)nc1CCl	1885417136	ODEUCZCLMSOGLA-UHFFFAOYSA-N	239.684	-0.001	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C[C@@H](O)CCl	1885616004	HLUHTZWGVSIEMK-BIIVOSGPSA-N	223.700	-0.598	50	10	BBGE	
CC[C@H](OCC1CN(C)C1)C(=O)NN	1886371252	VIGVXIFSUOJXEC-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
C[C@](O)(CO)CNC(=O)C=CC(=O)Cl	1893410954	PUTWQHJRXZFEPR-MRVPVSSYSA-N	221.640	-0.833	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1895229888	YZVPFYIQYDIAEJ-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1F	1898825610	BXLYDTHFELEYDM-RNFRBKRXSA-N	231.032	-0.811	50	10	BBGE	
CS[C@@H](C)C(=O)Nc1cccc(B(O)O)n1	1899679101	DHZVIERPQKPYEA-LURJTMIESA-N	240.093	-0.549	50	10	BBGE	
C[C@H]1CNC[C@]1(C)C(=O)NN(C)S(C)(=O)=O	1901375409	LKYXWBUOGKDURB-CBAPKCEASA-N	249.336	-0.845	50	10	BBGE	
C[C@H]1CC(NC(=O)C#CB(O)O)C[C@H](C)S1	1901581557	DKCADSYJHWQDKT-YUMQZZPRSA-N	241.121	-0.209	50	10	BBGE	
C=CC(=O)Nc1cc(F)c(B(O)O)c(F)c1	1901999597	FOBMAMBYLGIYAL-UHFFFAOYSA-N	226.975	-0.231	50	10	BBGE	
C[C@@H]1C[C@@H]1CS(=O)(=O)N1CC[C@@H](B(O)O)C1	1902539834	YDYNUNMNFOTDCV-IWSPIJDZSA-N	247.125	-0.479	50	10	BBGE	
C=C1CN(C(=O)c2csc(C)c2B(O)O)C1	1902864037	DZKZLLZUYBYSQB-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H]2C[C@H]3CO)CC1	1907251571	HXSBZBWFPRZBAB-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@@H]2CO)C1	1908357506	HKIDHDLRPLNGPI-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3(COC3)C2)C1	1908358779	PIZXIAFJBLDTSX-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
CC[C@@H]1C[C@H]1COc1ncnc(C)c1B(O)O	1910813772	KYLXYUMWPVHTAJ-BDAKNGLRSA-N	236.080	-0.110	50	10	BBGE	
CC[C@@H]1CCOCCN1[C@H](COC)C(=O)NN	1913638883	FOOLOCSEGZEEDE-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(S(N)(=O)=O)C1	1915004866	OGHHCWHXPUDENS-SCSAIBSYSA-N	226.685	-0.887	50	10	BBGE	
NNC(=O)c1cc(CN2CC(F)(F)C2)on1	1917281414	GDLVCSVGTNGYHH-UHFFFAOYSA-N	232.190	-0.271	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)OC1COC1	1923406363	FCGHFIQUGASGKS-UHFFFAOYSA-N	228.126	-0.295	50	10	BBGE	
CC(C)[C@H]1CCN1CCOCC(=O)NN	1928182151	WIFCWLMBOXRKGI-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
COCC[C@H]1CCCN(CC(=O)NN)C1	1930891564	CVUQFTMHVMTKHP-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1OCCN(CC(F)(F)C(=O)NN)[C@H]1C	1935942461	QQFVADBJVHHZCI-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H]1CN(C)CCN1CC(F)(F)C(=O)NN	1935943767	GQTBRVAZENFUJM-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSC[C@@H]1CO	1936089940	FZZBGONGUVQPOD-XHNCKOQMSA-N	245.348	-0.978	50	10	BBGE	
CN(C)CC[C@@H](NC(=O)NN(C)C)C(=O)O	1936190615	ZVEFDXKWIHZISC-SSDOTTSWSA-N	232.284	-0.833	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H](CF)C1	1936530886	RQDCAMOCIKYRQJ-VIFPVBQESA-N	233.287	-0.326	50	10	BBGE	
COC[C@@H](Cl)CN(C)C(=O)Cn1cnnc1	1937140860	KTIIGUQSIJYICJ-QMMMGPOBSA-N	246.698	-0.010	50	10	BBGE	
NNC(=O)CCCCOC[C@@H]1COCCO1	1939106379	UQEDIGMVUNCUCC-SECBINFHSA-N	232.280	-0.421	50	10	BBGE	
COC[C@@H](OCCOC1CCCC1)C(=O)NN	1940255707	JCZJMHOMJONPMV-SNVBAGLBSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H](CN1CC[C@H](C(=O)N(C)C)C1)C(=O)NN	1940303127	KYJNDDIAIQXNHD-IUCAKERBSA-N	242.323	-0.978	50	10	BBGE	
CN(Cc1ccn(C)n1)C[C@H]1C[C@H]1C(=O)NN	1941088807	RZVNXQFSEOIFHO-PSASIEDQSA-N	237.307	-0.522	50	10	BBGE	
C[C@H]1CCC(=O)N(CCOCC(=O)NN)CC1	1941780835	UQCDOZBUWVFUFU-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)CCOCC(=O)NN	1944297438	FQAFURGDOFCAMA-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CN1CCN2CCCC[C@H]1C2)C(=O)NN	1948620416	MLLNYYNYWCTZTI-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
Cc1ocnc1C(=O)N1CC[C@H](B(O)O)C1	1951321104	YSYIXXBBNLHLKV-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@H](O)CBr	1953618683	UZDLXJXADNLBIU-PHDIDXHHSA-N	239.113	-0.452	50	10	BBGE	
C[C@H](O)CN(C[C@H](O)CCl)C[C@@H](C)O	1955445620	IIEHKTAVFXALBN-HRDYMLBCSA-N	225.716	-0.350	50	10	BBGE	
CON(CCC(=O)NN)[C@@H]1CCOC1	1956250344	GDNBGXMDIGFEFE-SSDOTTSWSA-N	203.242	-0.981	50	10	BBGE	
CN(C[C@H](O)CCl)C1CC(C(N)=O)C1	1956254226	IYJCUZWINJVRRS-KAVNDROISA-N	220.700	-0.218	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](OCCO)C1	1956308552	CTRJPHZOGAVZBY-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@@H]1CCSC1	1956762497	DSBJTXBCUDDPCP-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
Cn1nnnc1N1C[C@@H](Cl)[C@@H]2COC[C@@H]21	1958114065	ZOFCTKMNELZJKL-XVMARJQXSA-N	229.671	-0.348	50	10	BBGE	
CO[C@H]1CC(=O)N(CCCC(=O)NN)C1	1961011341	HGNCBQGMOQCUTA-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
C[C@H](CN1CCCC[C@H](O)C1)C(=O)NN	1961136678	QVPIQJXXOKGLRM-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CC(n2ccnn2)C1	1961265880	UYTHSHKYZJPGKG-ZETCQYMHSA-N	230.655	-0.173	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]1C(F)F	1961505434	VGRSAFSYIKGMRE-BYPYZUCNSA-N	229.177	-0.049	50	10	BBGE	
CN(C)C(=O)C1CN(C(=O)CCl)C1	1969806862	LTLVTAALKGRGJE-UHFFFAOYSA-N	204.657	-0.228	50	10	BBGE	
CN([C@H]1CCC(=O)NC1)S(=O)(=O)CCl	1970967738	FSPMIMJBZQRJNF-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(OC(C)C)C1	1976056963	AMGRIMPNOUDMRO-SECBINFHSA-N	231.296	-0.900	50	10	BBGE	
CN(CCCC(=O)NN)C1CCC(O)CC1	1976629426	NQIKELALJGGCEQ-UHFFFAOYSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2nnccc2C1	1977058979	ZIVOCXRNAKJSQC-ZETCQYMHSA-N	221.264	-0.787	50	10	BBGE	
CN(C)[C@H]1CN(CCC(=O)NN)C(C)(C)C1	1977320040	UCVNIXZWWHHKTO-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CC1CC(N(C)c2ncncc2B(O)O)C1	1981413255	DKSXMAWVUMTBPB-UHFFFAOYSA-N	221.069	-0.609	50	10	BBGE	
Cc1cc(N2CC[C@@H](F)C2)ncc1B(O)O	1981469049	LWZPFQGBKKXJAK-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@@H]2C)ccc1B(O)O	1981529358	CMPZCDBRRDXDLS-XVKPBYJWSA-N	220.081	-0.086	50	10	BBGE	
CC(C)(F)C1CN(CCOCC(=O)NN)C1	1984253609	NDQTVDOTMRURLY-UHFFFAOYSA-N	233.287	-0.327	50	10	BBGE	
O=C1CN(C[C@]23COC[C@@H]2C3(F)F)CC(=O)O1	1998710549	BVUQWQYPIVRPCG-RCOVLWMOSA-N	247.197	-0.347	50	10	BBGE	
C[C@H](CN1CC[C@H]2[C@H]1C(C)(C)[C@@H]2O)C(=O)NN	2008731488	WRDPSLIDVWRBGV-XFWSIPNHSA-N	241.335	-0.296	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1[C@@H]2CCC[C@@H]12	2008843648	CEMXCIMNABXUQG-RKDXNWHRSA-N	233.076	-0.426	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2CC2(F)F)n1	2011554783	HCFABTYTOQWXGN-LURJTMIESA-N	244.006	-0.440	50	10	BBGE	
CCn1nc(Cn2ccc(B(O)O)n2)cc1C	2013210492	YCVSYOULMBSNGT-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
Cc1ccnnc1CN(C)CCCC(=O)NN	2017628086	QSIDBUYXJJDNCI-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1CN2CCC1CC2	2021071666	LSDQRGKEEUCVIF-MXWKQRLJSA-N	239.319	-0.277	50	10	BBGE	
Cc1cc(C)c(C(=O)NCC#CB(O)O)cn1	2021157071	HCWIGSNAQMTCEJ-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CCC[C@@H]1COC2	2021539071	XFNFOWZYRQGKMG-AOOOYVTPSA-N	241.291	-0.593	50	10	BBGE	
CCOC1(C(=O)Nc2ccccc2B(O)O)CC1	2047749712	BYXBGWFEAFUJRA-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ncc(B(O)O)cn1	2052469930	XDPCPWXUMQJSJH-WCABBAIRSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H](C)C2CC2)c1B(O)O	2052556972	PZLUXSNBUZFJGU-MRVPVSSYSA-N	249.123	-0.053	50	10	BBGE	
COc1cc(C)c(B(O)O)cc1[N+](=O)[O-]	2060380060	UTAGLQYDEODSGS-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
C[C@H]1C[C@@H]1OCc1nscc1B(O)O	2209702146	GEYJONGCCKGDJC-XNCJUZBTSA-N	213.067	-0.252	50	10	BBGE	
CSCCOc1cc(B(O)O)ccn1	2210064307	HASGBYUMWLMHKI-UHFFFAOYSA-N	213.067	-0.497	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)C(C)(C)N	2212603644	HZPWIYMGYGYYQY-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1cnc([N+](=O)[O-])n1	2215770559	CMBRYRKDSWDLFB-NTSWFWBYSA-N	240.223	-0.798	50	10	BBGE	
Cc1cnc(=O)n(C[C@H]2CC[C@H]2C(=O)NN)c1	2215773416	SKIKZIQNMVIBSR-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@]2(CCO2)C1	2215778127	XLLSFVUMIARGRO-UMNHJUIQSA-N	239.319	-0.133	50	10	BBGE	
CN(C[C@@H](O)C1CC1)CC1(C(=O)NN)CCC1	2216490982	MSXCEONDSYQHGK-SNVBAGLBSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)C[C@H](Nc2ccc(B(O)O)cn2)CN1	2217172820	MXYRKUCFTFXWNM-VIFPVBQESA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2CCOC2)[nH]c1	2217178545	XKQOCSNIRYQUCV-VIFPVBQESA-N	236.080	-0.978	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCCO[C@H]21	2217178954	CWUCNGAARVKAMU-SZEHBUNVSA-N	234.064	-0.649	50	10	BBGE	
CCC[C@H](O)CNc1nccc(B(O)O)c1F	2217180354	GXDOGNVPXPDYJI-ZETCQYMHSA-N	242.059	-0.527	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNc1ncccc1B(O)O	2217184023	PVHMMGOPNUBMDQ-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
COC1(C)CN(c2nccc(B(O)O)c2F)C1	2217184083	MLRHEVLRQUCWRD-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@H](CN)C[C@H](C)Oc1cc(B(O)O)ccn1	2217189417	CXWLWOSGLTUEKK-IUCAKERBSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CC=CCN2)c1	2217191490	KFXFBJHKENPZKW-JTQLQIEISA-N	234.064	-0.942	50	10	BBGE	
CC(C)(C)[C@@H](CO)Nc1cc(B(O)O)ccn1	2217204587	LXKLCULQUQNCLW-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
CC1(C2CCC2)CN(c2ncc(B(O)O)cn2)C1	2220734492	DEEOMHNMMZFBHK-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
Cc1cnc(O[C@@]23CNCC[C@H]2C3)cc1B(O)O	2223620691	PDIVDYWTZGVFRQ-CABZTGNLSA-N	248.091	-0.799	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN(C3CC3)C2)c1	2223629972	XJRWSZAPJUZYRX-JTQLQIEISA-N	247.107	-0.590	50	10	BBGE	
CN(C)[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223636049	FIEFMIBJISAGSK-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2CCN(C)C2)cc1B(O)O	2223639664	GFZVWTMLHNFKBB-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1nn(C)cc1CNc1cc(B(O)O)ccn1	2223646386	KCJMFDSJVGMJPA-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
CN(c1ncccc1B(O)O)C1(CN)CCCC1	2223671373	KUCSMPWFTNEOBD-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223678768	HSLKGDGNYNGXBM-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
CC(C)[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2243347188	JAOCDFBCPGGUOW-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1nscc1B(O)O	2243347242	JULPVUJIYFRINC-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
C[C@@]1(C#N)CCCN(C(=O)C#CB(O)O)C1	2243356897	OJQSOWPAQJJWDA-JTQLQIEISA-N	220.037	-0.846	50	10	BBGE	
CC1CC(NC(=O)c2sccc2B(O)O)C1	2243361857	IGUIDARQMPSQDY-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
N#CC1CCN(C(=O)C2(B(O)O)CC2)CC1	2243364362	VYHOJHNAEPVOGN-UHFFFAOYSA-N	222.053	-0.244	50	10	BBGE	
CC#CCNC(=O)c1cc(C)c(B(O)O)s1	2243375020	NKXQVMPNZVGQAA-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
CCCONC(=O)c1cc(C)sc1B(O)O	2243377744	GKBDAELSIBPVRW-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
O=C(NCc1cn[nH]c1)[C@H]1C[C@H](B(O)O)C1	2243391017	FJDBRVHZCPLWTE-ZKCHVHJHSA-N	223.041	-0.721	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(C(=O)C#CB(O)O)C1	2243398046	BAOVMGVSPRKDLQ-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2243398467	FFQJBBNQZWPFHC-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1nscc1B(O)O	2243399318	YVOANXJLYMNIKX-LURJTMIESA-N	238.077	-0.895	50	10	BBGE	
O=C(NCCCCF)c1ccc(B(O)O)o1	2243400846	IOXQLVXBZODGRQ-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
CC1(F)CN(C(=O)c2ccc(B(O)O)s2)C1	2243408695	SGDGJSGXWMSPDK-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
C=CC(C)(C)NC(=O)c1nscc1B(O)O	2243409779	OTMBJXNMEIPAOB-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
C=CCN(CC)C(=O)c1nscc1B(O)O	2243410225	XLRILGSBTDRTSB-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)C1CCC1)B(O)O	2243412779	SPHQINABMGICCD-QMMMGPOBSA-N	247.125	-0.337	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)[C@H]1C[C@H]1B(O)O	2243427416	VDNROKLWLUUTEW-HRDYMLBCSA-N	228.101	-0.661	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)co1	2244212491	QSEPQKPLRZWOHN-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
C=CCN(C(=O)c1ccc(B(O)O)o1)C(C)C	2247740127	GKKVQPNBRLGXEA-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247740813	QBIFSRLENGCUOY-BWZBUEFSSA-N	237.064	-0.266	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247740913	RKIHZMMXFOFQJM-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
O=C(C#CB(O)O)NCCc1cccc(F)c1	2247742069	KGWWAWOJWSFSLL-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
CCn1cnc(CNC(=O)C2(B(O)O)CC2)c1	2247749976	CGJDKJCBQOTGEN-UHFFFAOYSA-N	237.068	-0.474	50	10	BBGE	
COC[C@@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247754267	LTXKCGGTFMMXQY-JTQLQIEISA-N	241.096	-0.122	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cn1	2247771726	YEJMSBKEEVKYIW-WRWORJQWSA-N	234.064	-0.710	50	10	BBGE	
C[C@H](CO)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787161	LRJBECWZOSENHE-LPEHRKFASA-N	243.112	-0.236	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCN(C)C1	2247797119	GIGFHMYTNLRGFZ-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCCOCC1CC1)C1CC(B(O)O)C1	2247798215	RFXJCMABUADCRU-UHFFFAOYSA-N	241.096	-0.218	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804124	FIORRPJHHAVOAA-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
CCCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2247809247	YNTPXMNESJANDM-IUCAKERBSA-N	243.112	-0.141	50	10	BBGE	
CN(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810581	YNFDRQRRSWAXGW-AEJSXWLSSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)O	2247810702	ZJOXOZJFRSKKOE-SDNRWEOFSA-N	241.096	-0.531	50	10	BBGE	
CCC1(C#N)CCN(C(=O)C#CB(O)O)CC1	2247851340	YDJKMYUVAFJDFK-UHFFFAOYSA-N	234.064	-0.456	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCC1	2247860196	SZIQNKOFKZRRMK-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
CN(CCCCCCN)C(=O)[C@H]1C[C@H]1B(O)O	2247886899	HOKJDYHQANKZDT-VHSXEESVSA-N	242.128	-0.173	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)no1	2247888067	VMVQIZUWDNGLLQ-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2247896570	ZTKAGZQJUILLMP-ZYUZMQFOSA-N	238.096	-0.798	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC=C[C@H]1CO	2247903606	LVNZVCYFUMDTOR-RTBKNWGFSA-N	239.080	-0.611	50	10	BBGE	
C#CCC(=O)Nc1ccc(F)c(F)c1B(O)O	2248420615	XQSRDFCNQGHOFB-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
C=CCN(CCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248587574	RILAHPSQWBXMFX-YUMQZZPRSA-N	241.052	-0.661	50	10	BBGE	
CCCN(C[C@H](C)O)c1ccc(B(O)O)cn1	2250548079	KUIRBFHOZOJLPS-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
Cc1ccc(CNC(=O)c2ccoc2B(O)O)o1	2255469215	MBDCJWPVGZUQNX-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
Cc1ccnc(NC(=O)c2occc2B(O)O)n1	2255486996	IQWFNWZXDVANNL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccc(B(O)O)cn1	2255517512	CQVPNLNFEDDYEE-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1cncc(B(O)O)c1	2255517759	FSACBZGTWAZJIG-KWQFWETISA-N	248.091	-0.368	50	10	BBGE	
O=C(Nc1cccn2cnnc12)[C@H]1C[C@@H]1B(O)O	2255768286	HNPNSTQIGUFQLR-BQBZGAKWSA-N	246.035	-0.469	50	10	BBGE	
C=CCCCNC(=O)c1ccc(B(O)O)cc1O	2255951321	CPYJOKGTDXOZOQ-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(B(O)O)ccc1O	2256016975	BZMJEGZVGGWZSA-JTQLQIEISA-N	247.059	-0.646	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1CC=CCO1	2256605794	OBCSBETVRCHKJL-SECBINFHSA-N	248.047	-0.955	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ncc(B(O)O)cc1C	2257491586	OSGKNCSNQIXSGH-UHFFFAOYSA-N	246.075	-0.789	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cocc3B(O)O)C[C@@H]21	2258129807	YPSIOGXZHJSTDJ-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298370177	QQKGZVVAAKPRKR-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2298375600	RTHWQQORZAKWPR-SOYHJAILSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CCC[C@H](CN)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298376267	PEKXMADJBRAOQP-SGIHWFKDSA-N	240.112	-0.422	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298463103	PTPGDCOOGPEVCC-LXGUWJNJSA-N	241.052	-0.781	50	10	BBGE	
Cc1ccc(B(O)O)cc1COCC1CN(C)C1	2313838103	LKGOCDNMUUQCGL-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
NC[C@H]1C[C@H]1COc1ccc(C=O)c(B(O)O)c1	2317312456	HKUROZFPTUXOGB-ZJUUUORDSA-N	249.075	-0.848	50	10	BBGE	
COCCNC(=O)CN(C)C(=O)[C@@H](C)Cl	37832707	YEWCJBVFVFBXGI-SSDOTTSWSA-N	236.699	-0.165	50	10	BBGE	
C[C@H](CC(=O)NN)NCCN1CCCC1	58837095	HTYKFHXKRVJAMM-SECBINFHSA-N	214.313	-0.560	50	10	BBGE	
N#Cc1ccc([N+](=O)[O-])c(OCC(=O)NN)c1	76853505	JAWXXGQKHFSTOW-UHFFFAOYSA-N	236.187	-0.165	50	10	BBGE	
CC(C)c1cc(C(=O)NN)c(=O)n(C)n1	82450728	VOCFZXVHYTUSGT-UHFFFAOYSA-N	210.237	-0.493	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ccnc2)O1	82468528	NQAVCAJGIOERGX-JGVFFNPUSA-N	210.237	-0.579	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1CCCO	82468745	XMOVEDDSOIAZSL-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CN(CCOCC1CC1)CCC(=O)NN	87400299	IWYSUHDKZLDEBI-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CC1(C)CC(=O)N(CCCCC(=O)NN)C1=O	87729072	XCMXPNKNCXFENG-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
NNC(=O)CCN1CCN(C2CCCC2)CC1	104360115	FDLARZIXIDQIRF-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N2CCCCC2)C1	110919636	SXWWWODSKRKDRF-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1C(=O)COc2ccccc21	113188968	CMKJOKIYCQPWRC-SSDOTTSWSA-N	235.243	-0.210	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCOC[C@H]1CCl	159438268	SLZJAASBKSLBTR-RKDXNWHRSA-N	249.694	-0.132	50	10	BBGE	
CC1(C)COC(c2ccc(B(O)O)cc2)=N1	196828584	DXPDNWSVUBOVIE-UHFFFAOYSA-N	219.049	-0.078	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccccc1N	199742364	SYTSGOWKRWEUEC-UHFFFAOYSA-N	229.261	-0.537	50	10	BBGE	
COC[C@H](C(=O)O)c1cccc(B(O)O)c1	204570220	OVCUKYBDENUXEH-VIFPVBQESA-N	224.021	-0.819	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1c[nH]nn1	228956372	SRJWEORBRWVGCA-RXMQYKEDSA-N	218.644	-0.212	50	10	BBGE	
O=C(CCBr)N1C[C@H](O)[C@@H](O)C1	236571614	YTQKYMQCASWHFA-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
NC(=O)N/N=C/c1cc(O)c(O)c(O)c1	238566437	OIPDHUDBWJASFR-XCVCLJGOSA-N	211.177	-0.194	50	10	BBGE	
OB(O)c1cccnc1-c1cncnc1	238629556	YOWVGRGGLZTMOX-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
N[C@H](CF)c1ccc(B(O)O)cc1F	238684444	SYUVMQDORMVCJU-MRVPVSSYSA-N	200.981	-0.525	50	10	BBGE	
CCN(CC)c1cc(C)c(B(O)O)cn1	253181431	GQGRTWPODQEDQA-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CC[C@@H]1O	253201202	UJIBOKQTHBFHJY-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
COc1cccc(C[C@@H](N)C(=O)N(C)N)c1	259181183	XFNUDUNLJSLMOO-SNVBAGLBSA-N	223.276	-0.103	50	10	BBGE	
CCNC(=O)CSCCCC(=O)NN	300795629	DRIXLDCHRGXZFW-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
CNC(=O)CS[C@H](C(=O)NN)C(C)C	300816185	LZEURTRREXHPEB-ZETCQYMHSA-N	219.310	-0.520	50	10	BBGE	
Nc1c(O)ccc2sc(B(O)O)cc12	306774562	KFGIUKIHYHIQAZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CS(=O)(=O)N[C@]1(CCl)CCOC1	307265758	BLOPGVRARVQQEK-LURJTMIESA-N	213.686	-0.067	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCN(C)C1	308900959	KEPNVHGSCUJYSU-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1C[C@H]2C[C@H]2C1	380354127	SPFAFSPSMGAACM-AOOOYVTPSA-N	247.103	-0.173	50	10	BBGE	
COC1(C)CN(C[C@@H](C)C(=O)NN)C1	382595880	LRRHHHPTSDCGBK-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
CC1(C)CCC[C@H]1CNC(=O)C(=O)NN	389577799	XLDBVJLBHYRMGC-ZETCQYMHSA-N	213.281	-0.081	50	10	BBGE	
CNCCCN(C)[C@H](C(=O)NN)C(C)(C)C	395660810	XYIOWGUKHROJEC-SECBINFHSA-N	230.356	-0.068	50	10	BBGE	
CCOc1nc2ccc(B(O)O)cc2o1	396124917	FGJBBYMKLYUYNI-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)CC[C@@H]1C	399445397	XXKZIRPMFZZKCH-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	401902611	FHBZMYQLKROENU-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CN)CSCC(F)(F)C(=O)NN	685956106	MSIHNAKIIZTBBY-YFKPBYRVSA-N	227.280	-0.060	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@H](F)C2)O1	689085915	AOYGFCBLPQMOCX-AEJSXWLSSA-N	245.298	-0.042	50	10	BBGE	
CC(C)OCCCn1cc(B(O)O)cn1	689372519	GFNIETMFPZYZHW-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
C[C@H](CN1CCC[C@H]2COC[C@H]21)C(=O)NN	690722431	XPKNUENQLOFHEN-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
Cc1nn([C@H]2CCCCO2)c(B(O)O)c1C	691466288	WCXNSTLAVFPRPN-SECBINFHSA-N	224.069	-0.121	50	10	BBGE	
CCn1cc(CN(C)CCC(=O)NN)cn1	693746132	SKLQNEIKVZRDLM-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCCC2(F)F)c1	694562846	QGUQJZUPQYEYPM-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
CCO[C@H]1CCN(Cc2ccccc2B(O)O)C1	701665588	FGENRWMLPSCWIA-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
COc1ncc(N2[C@H]3CC[C@H]2C(=O)OC3=O)cn1	703444327	OSGURQUSBKEDJK-YUMQZZPRSA-N	249.226	-0.094	50	10	BBGE	
N#Cc1ccc(F)cc1Cn1cc(B(O)O)cn1	703683486	ZAIRRDXREGEDDV-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	713250665	YZWMOHYGMBOFKR-SCZZXKLOSA-N	245.087	-0.135	50	10	BBGE	
O=S(=O)(NCB(O)O)C1CC2(CCC2)C1	717810990	LLOQANFYZKUFDE-UHFFFAOYSA-N	233.098	-0.750	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696264	AEJSCKORVWZAAO-XHNCKOQMSA-N	212.297	-0.857	50	10	BBGE	
O=C(NN=CC[C@H]1CCOC1)[C@H]1COCCO1	765581492	QRSDHVRVNAQISP-VHSXEESVSA-N	242.275	-0.070	50	10	BBGE	
C[C@H](N)[C@H](C)C(=O)N1CCC(O)(C#N)CC1	821980681	LJPKXFLUBDHVTQ-IUCAKERBSA-N	225.292	-0.153	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCCCC#N	847857442	NFMLDYBKMJUWTC-UHFFFAOYSA-N	227.264	-0.011	50	10	BBGE	
CCCCC(=O)NNC(=O)c1cn(C)nn1	855184668	JLUQDVNGVFSRAC-UHFFFAOYSA-N	225.252	-0.234	50	10	BBGE	
CC[C@@H](O)CC(=O)NNC(=O)c1cc[nH]n1	855355716	FMXALGIRJYJXMS-ZCFIWIBFSA-N	226.236	-0.668	50	10	BBGE	
COC1(C(=O)NNc2nnc(C)n2C)CC1	856052572	BFLATXSHRAJACA-UHFFFAOYSA-N	225.252	-0.254	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cncnc2)C1	1118914533	AMFMZJAXHVTOBV-VIFPVBQESA-N	207.042	-0.475	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	1328637918	VEBIOAJTSYPHFD-FSDSQADBSA-N	248.229	-0.193	50	10	BBGE	
O=C(CCO)NN=C1CCCS(=O)(=O)CC1	1350465146	HKQFATYTPLLVBH-UHFFFAOYSA-N	248.304	-0.560	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCn1ncnn1	1545506493	ARBLLMAODIRYRJ-VURMDHGXSA-N	236.235	-0.767	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(F)cnc1O	1583198035	PFYIZOGQJKFTED-UHFFFAOYSA-N	228.183	-0.500	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1616378285	KVKIEJIGVPXMPN-TUUFMJSCSA-N	238.247	-0.584	50	10	BBGE	
CC(=O)NNC(=O)C1(C(=O)C2CC2)CC1	1628978973	YBBVXSNPKFVTIB-UHFFFAOYSA-N	210.233	-0.087	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2ccccn2)N1	1632129493	PJLFGFYXYWYVPV-ZCFIWIBFSA-N	206.205	-0.587	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNC(=O)CC1CC1	1641517087	AFUOFCHQNUXZBB-UHFFFAOYSA-N	238.251	-0.920	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@H]1C[C@H]1Br	1877348329	YCGJJGXZBYKLQG-IUYQGCFVSA-N	246.068	-0.401	50	10	BBGE	
NC(=O)C1(NC(=O)[C@@H]2C[C@@H]2Br)CC1	1877414195	MBVIRDGFRHEJJH-UHNVWZDZSA-N	247.092	-0.096	50	10	BBGE	
NC(=S)CS(=O)(=O)NC1CC(Cl)C1	1881718320	DWGSMMSFBGKCAR-UHFFFAOYSA-N	242.753	-0.038	50	10	BBGE	
CO[C@H](CN)C(=O)NC[C@@H]1C[C@@H]1Cl	1883554957	WQKPAXWHAAOFMQ-LYFYHCNISA-N	206.673	-0.296	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O	1885892419	PAEZBWQCZPZSNB-RNMOGIQJSA-N	219.668	-0.575	50	10	BBGE	
CO[C@@H](C)COC[C@H]1C[C@@H]1C(=O)NN	1886080193	YBDCGXONIWCWDG-RNJXMRFFSA-N	202.254	-0.336	50	10	BBGE	
C[C@H]1OCC[C@@H]1CC(=O)NNCCO	1892661374	FAKRHPBZGCEPQZ-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
C[C@H]1OCC[C@H]1CC(=O)NNCCO	1892661376	FAKRHPBZGCEPQZ-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@@H]2CC[C@@H]21	1896538420	WTWGPFSCBBPSAI-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1C[C@@]2(CCN(C(=O)C(=O)NN)C2)CO1	1899554932	PCRQUINNSVMMES-OIBJUYFYSA-N	227.264	-0.996	50	10	BBGE	
CCOC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1	1902523097	WYHZDXULNZWSAV-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@]2(O)CCOC2)C1	1902545807	JEIXUJFDCIYCBP-UWVGGRQHSA-N	229.085	-0.923	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N1CC[C@@](C)(B(O)O)C1	1902549431	BNOKBPICIFYETN-IVZWLZJFSA-N	229.085	-0.661	50	10	BBGE	
CC[C@](C)(CN1CCN(C)CC1)C(=O)NN	1902716424	RUSCUUZZPAYDDD-LLVKDONJSA-N	228.340	-0.360	50	10	BBGE	
CC[C@@](C)(CN(C)C1CN(C)C1)C(=O)NN	1902717097	ZKESQRBCJCQWQB-NSHDSACASA-N	228.340	-0.362	50	10	BBGE	
Cc1c(O)nn([C@@H](C)CC(=O)NN)c(=O)c1C	1905534976	NREPSHKHBIEDDP-YFKPBYRVSA-N	240.263	-0.493	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1907079077	JJSJGOQHFINLIQ-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CCC[C@@H]1COC2	1910346106	OYYGVDQIHVBUTE-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H](CC1=O)C2(F)F)C(=O)NN	1912338802	IOCFBBRGCPFTQJ-VQVTYTSYSA-N	247.245	-0.274	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1cccc(B(O)O)n1	1924099749	SVWUEUPRSHPSPB-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNCCO)S1	1931585456	QGZBWMCPVGBTJZ-BQBZGAKWSA-N	204.295	-0.116	50	10	BBGE	
C[C@@H](Br)C(=O)N1C[C@@H](O)[C@H](O)C1	1934316608	UGGICGAXWJYHPA-HSUXUTPPSA-N	238.081	-0.666	50	10	BBGE	
OC[C@@]12CN(CCOCCCl)C[C@@]1(CO)C2	1937053936	OLILPWZQPVTFGX-GHMZBOCLSA-N	249.738	-0.082	50	10	BBGE	
Cn1cc[nH]c(=N[C@H]2COC[C@H]2CCl)c1=O	1937181958	MLYBYEHJIWMNAH-SFYZADRCSA-N	243.694	-0.132	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](C2CC2)[C@@H](O)C1	1943084041	VKHLTXCOVXKMGR-SFYZADRCSA-N	249.261	-0.686	50	10	BBGE	
CC[C@@H](COc1cnc(C)c(B(O)O)c1)OC	1944011442	PTRNUJXRZOBLFO-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@]2(C)C1=O)C(=O)NN	1946988851	HQTVSKQMFLYGFT-KGFZYKRKSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]([C@H]2CCCCO2)C1	1947537846	VNGZICJJYFKYGX-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1949698202	YAKKDNJWKHPQCR-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1C(F)(F)C2	1950057809	GINRFUBHJMNWMW-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
OB(O)c1cncnc1OCc1ccccc1	1953171631	NIIOFDIYVJNKKC-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
NC(=O)[C@@H]1CCCN1C[C@H](O)CCl	1953980740	CONMHHFLLIVOOE-RQJHMYQMSA-N	206.673	-0.464	50	10	BBGE	
NC1CN(S(=O)(=O)NCC(Cl)Cl)C1	1954416082	AYPAZOAGBZBIRG-UHFFFAOYSA-N	248.135	-0.733	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1954501918	FZJWZICLJRFXGM-IXROVEORSA-N	205.641	-0.822	50	10	BBGE	
NC(=O)N[C@H]1CCN(C[C@@H](O)CCl)C1	1956252922	WFSRMARGJGOXTR-BQBZGAKWSA-N	221.688	-0.671	50	10	BBGE	
CCN1CCN(C(=O)NN)C(C)(C)C1	1957338465	QZCRYWMOGQCEEQ-UHFFFAOYSA-N	200.286	-0.014	50	10	BBGE	
C=C(COc1ccc(B(O)O)cc1)OC	1961430821	YEIOGPAEGUXGRQ-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
CC1(C#N)CN(CCCCC(=O)NN)C1	1962700445	UTWLBMUWQFDKDK-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12CC(CO1)C2	1967589670	ZKTFOIQAMVWJDJ-CCNFQMFXSA-N	225.053	-0.759	50	10	BBGE	
CO[C@H](C(=O)N1CCC(B(O)O)CC1)C1CC1	1971372067	CFVFSNCXEQVZFR-JTQLQIEISA-N	241.096	-0.123	50	10	BBGE	
N#CCSCC(=O)N1CCC(B(O)O)CC1	1971373053	QUEKAUFFZIRGOT-UHFFFAOYSA-N	242.109	-0.291	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	1976402203	MMOKNRMCRLCHHU-KATARQTJSA-N	225.292	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cocn1	1976741650	NBTHOTMTOHRPRG-MRVPVSSYSA-N	228.252	-0.889	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1Cc2conc2C1	1976755374	JBUWSGYAYGYSJF-HTRCEHHLSA-N	222.248	-0.384	50	10	BBGE	
CCC1(F)CN(c2ccc(B(O)O)cn2)C1	1981417337	ZIDFEDSBQPLYQW-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@H]2C)c(B(O)O)c1	1981469303	QDXDJPIJGBCCQT-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H]1F	1982806533	WZIQIIYBJNMRGY-BQBZGAKWSA-N	224.000	-0.942	50	10	BBGE	
C[C@@H](CN1CCC2(CC1)COC2)C(=O)NN	1983765924	OJCVRQANQFQZMT-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCCOCC1	1984129120	ZFMQLBZLNSUZAQ-UHFFFAOYSA-N	237.250	-0.276	50	10	BBGE	
C[C@@H]1OCC[C@@]1(O)CNC(=O)/C=C/C(=O)Cl	1991706752	SWJBKHPYUOLZIK-SSWUGZLXSA-N	247.678	-0.036	50	10	BBGE	
C=C(CN1C[C@@H](OC)CC(F)(F)C1)B(O)O	1992159768	OGGMOQYYIPPWJC-QMMMGPOBSA-N	235.039	-0.089	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCCOC1CNC1	1993411002	NOKUFCUNLSNOOA-QMMMGPOBSA-N	247.364	-0.133	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)C1(F)CC1	1994972302	AMKHNOHILVEFGX-UHFFFAOYSA-N	243.068	-0.454	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@@H]2COC[C@H]21	1996486117	XTEKLFLCMUIKQE-KYXWUPHJSA-N	243.307	-0.900	50	10	BBGE	
CN1CC[C@@H]2CCN(CCCC(=O)NN)C[C@H]21	1996608362	NCHSAWJJPPRDMI-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
Cc1nc([C@@H]2CCN2C[C@@H](C)C(=O)NN)no1	1997763734	AOCLACULBLHNCE-SVRRBLITSA-N	239.279	-0.249	50	10	BBGE	
NNC(=O)COCCN(C1CCC1)C1COC1	1998395162	ZEZKYGBQQGKXQU-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](Cn1ccnc1)Cn1ccc(B(O)O)n1	2003627789	KBQPEHGZMGCSOX-SECBINFHSA-N	234.068	-0.904	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CCCNC1=O	2004248488	XBNYCSLSBXVHIX-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cc(C)on1	2004448245	XPSORIZYMZPRFK-VIFPVBQESA-N	242.279	-0.580	50	10	BBGE	
CCN(c1ncc(B(O)O)c(OC)n1)C(C)C	2005015022	VBLOSUOHLIXRRT-UHFFFAOYSA-N	239.084	-0.600	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H]3C2)ccc1B(O)O	2005018109	ORNZKWLDWDDBDK-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H](COc1ncc(B(O)O)cc1F)N(C)C	2006999779	FSHSTQDBJLXVJP-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1CC(N)C1	2014694535	NRVLDNGLXKLABV-SECBINFHSA-N	234.303	-0.300	50	10	BBGE	
CN(CCCn1cc(B(O)O)cn1)C1CCC1	2018218229	CPVHVUKAVZLOEZ-UHFFFAOYSA-N	237.112	-0.563	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)NCC#CB(O)O	2021107545	TZPOMEDLIUPISB-XPUUQOCRSA-N	248.997	-0.294	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncncc2B(O)O)CCO1	2025211317	GXHXBDBQUTZQDK-JGVFFNPUSA-N	238.052	-0.897	50	10	BBGE	
NNC(=O)C1(Cn2ccn3nccc3c2=O)CC1	2033727125	MBALZLFOIRJKTI-UHFFFAOYSA-N	247.258	-0.734	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC12CCC2	2040763864	VPRJNUHSVVGKRH-VIFPVBQESA-N	246.075	-0.110	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@]12CCC[C@H]1C2	2040766525	FRXPVVRTEVGIQU-WRWORJQWSA-N	247.063	-0.715	50	10	BBGE	
CCOCC1CN(Cc2ccccc2B(O)O)C1	2047178287	WRLUSMGGOFNFJN-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
Cc1cc(OCc2ccn(C)n2)cc(B(O)O)c1	2049634929	PKFVOYLWMXOKQH-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCO[C@@H]2C[C@H]21	2051854138	PUHGMDYBUGTKJI-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
CC=CC(=O)N(N)[C@H]1CCS(=O)(=O)C1	2052972618	DSCKSCRGBVYIEG-ZETCQYMHSA-N	218.278	-0.548	50	10	BBGE	
O=Cc1ccc(B(O)O)c(F)c1[N+](=O)[O-]	2060055875	GCJHILQXZRYQEQ-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1C[C@@]12CCOC2	2077648700	NMMMOHMEXCRHHG-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
OCC[C@@H](CCl)OC[C@H](O)CCO	2080532395	MBSMQJOWQDHIRP-SFYZADRCSA-N	212.673	-0.264	50	10	BBGE	
Cn1cn[nH]c1=NCCOCCCl	2209272460	ZLDYWBXLHLXJPB-UHFFFAOYSA-N	204.661	-0.096	50	10	BBGE	
C[C@H](CO)SCC1(C(=O)NN)CCOCC1	2212445189	WUJQELKZQLKXDG-MRVPVSSYSA-N	248.348	-0.113	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1cc(B(O)O)ccn1	2212606137	PCAFTQSSMLRZIG-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
OC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214604952	GFXFJHCNXFUORJ-NSHDSACASA-N	235.092	-0.819	50	10	BBGE	
CN1CC(=O)N(CC2(C(=O)NN)CCC2)C1=O	2216530982	VUPZGLFNSGDUJB-UHFFFAOYSA-N	240.263	-0.959	50	10	BBGE	
NNC(=O)C1(Cn2cc(F)cn2)CCOCC1	2216864412	CEWUHNLQUHQGAZ-UHFFFAOYSA-N	242.254	-0.191	50	10	BBGE	
CC(C)[C@H](N)CCOc1ncccc1B(O)O	2217174554	VSDSBECXRLMZNN-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@@]1(CN)CCCN1c1ncccc1B(O)O	2217175603	LAEQLUZMHTUNGR-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2C3)c1F	2217179370	JVQSBNJQJUTUBV-YUMQZZPRSA-N	236.055	-0.111	50	10	BBGE	
CC[C@H](C[C@H](C)O)Nc1ncc(B(O)O)cn1	2217181342	OPIRKBCCCMBIFM-IONNQARKSA-N	239.084	-0.882	50	10	BBGE	
CC(C)(C)C#CCN=c1ncc(B(O)O)c[nH]1	2217198725	FLIOIVSVCALZBX-UHFFFAOYSA-N	233.080	-0.960	50	10	BBGE	
CC1(C)CNC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223625091	COLKNAOQWYPYLY-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
CCc1cnc(CNc2ccc(B(O)O)cn2)[nH]1	2223639280	QLKNLDNVIFCDDJ-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1Nc1ncccc1B(O)O	2223641679	CMMQLRQGRCQKGE-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
CC1=CC[C@@H](CN=c2ncc(B(O)O)c[nH]2)CC1	2223669124	GDXRQSMJTFTGNZ-SNVBAGLBSA-N	247.107	-0.263	50	10	BBGE	
C[C@H]1CNCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223669340	IQUIZDFXTGMWCE-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cnc(=NCC2C[C@@H]3CC[C@H]3C2)[nH]c1	2223673092	WGVPTEHNQKKGML-UWVGGRQHSA-N	247.107	-0.574	50	10	BBGE	
Cn1c(O)cn(S(=O)(=O)CCCl)c1=O	2241373833	XYXQVOXSCWAEIL-UHFFFAOYSA-N	240.668	-0.691	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)cs1	2241497023	YYDNWIJMLBVTNF-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CCC(=O)NN	2242162033	DAGDNAZAPCJWTG-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
O=C(Nn1cccc1)c1cscc1B(O)O	2243347761	PLRPBVWKZVHNFC-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)s1	2243350079	VFGIJWAVTNWYAU-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)C1(B(O)O)CC1	2243363336	FGTBYSICSYRVIG-ZKCHVHJHSA-N	227.069	-0.587	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)sn2)C1	2243378600	WHAILFHZSGSDER-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2243396154	IIVLXDAWILBICV-BWZBUEFSSA-N	229.085	-0.485	50	10	BBGE	
C=C1COC[C@H]1NC(=O)C1CC(B(O)O)C1	2243396198	IYMQWDQTOQADME-AMDVSUOASA-N	225.053	-0.689	50	10	BBGE	
COC(C)(C)[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2243396410	LTOUFOLJAULKQI-BIIVOSGPSA-N	229.085	-0.221	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396808	QXLDCEUJLJJPHE-BIIVOSGPSA-N	227.069	-0.779	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)C#CB(O)O	2243398589	FKOAKEVYIQLLSX-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CC1(C)CCN(C(=O)C#CB(O)O)CCO1	2243401804	WYLKKFOQXCBZRB-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2243404610	QWJXSFHKNQNBNW-LXKYZYTISA-N	227.069	-0.467	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1sccc1B(O)O	2243406678	CNURHEONQMPAPN-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)s1	2243407876	BHTKNBXYVINACT-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
CCNCCN(CC)C(=O)C1(B(O)O)CC1	2243408293	KMQFDJNFCCEGJI-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
CCCN(C)C(=O)c1nc(C)sc1B(O)O	2243413550	IWJHLPMWBLKBHH-UHFFFAOYSA-N	242.109	-0.387	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2243416187	IGGSMQIXKBXMHL-YIZRAAEISA-N	226.085	-0.907	50	10	BBGE	
C=CC(=O)NCc1sc(C)c(C)c1B(O)O	2243665258	QSXGDKJVFVZSCG-UHFFFAOYSA-N	239.105	-0.153	50	10	BBGE	
CC(C)=CC(=O)Nc1ccnc(B(O)O)c1	2243668585	PHAZUTVCQCKUPB-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CC(C)CONC(=O)c1cc(B(O)O)co1	2244219103	FVJRLTMRMTVMGF-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
C[C@H]1CCS[C@H]1C(=O)NCCC#CB(O)O	2244549181	ZETFMRRQNYCVLG-DTWKUNHWSA-N	241.121	-0.350	50	10	BBGE	
Cc1oncc1C(=O)NCCC#CB(O)O	2244551568	HUBIGHMQVBZGAO-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
COCCCCSc1ncncc1B(O)O	2244681222	CBSLRYDDVARSAP-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
CN(C)C(=O)N1CCC[C@H](NC(=O)NN)C1	2245069594	ODJYVOKNFOLXOS-ZETCQYMHSA-N	229.284	-0.695	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1ccc(B(O)O)o1	2247744569	VADQUSXOUANOEW-RXMQYKEDSA-N	244.990	-0.656	50	10	BBGE	
C#CC1CC(NC(=O)c2occc2B(O)O)C1	2247753405	GNBKABIEPHBYCQ-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
Cc1c(CNC(=O)C2(B(O)O)CC2)cnn1C	2247753558	ARZMYSAEFLNLMF-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1occc1B(O)O	2247757264	PYSSLOLWHDOLMX-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)cn1C	2247763782	PSTPERVQNLMPGP-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
C=CCCCN(C)C(=O)c1c[nH]nc1B(O)O	2247780378	AYYBSBBOTHBUKJ-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCCCCC1	2247781563	MHLZGWMBNPDYDJ-UHFFFAOYSA-N	237.068	-0.894	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](O)C[C@H](F)C1	2247791810	OUUMUOXESFRWCB-PEBLOWIWSA-N	245.059	-0.829	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@]2(C1)C[C@@H](O)C2	2247803455	BFLDTNATIQDHFK-WYOJIJJFSA-N	239.080	-0.777	50	10	BBGE	
C#CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1B(O)O	2247808487	LBSHBGPHZIRMQV-RNFRBKRXSA-N	248.997	-0.127	50	10	BBGE	
CC(C)[C@@](C)(CN)NC(=O)C1CC(B(O)O)C1	2247809871	RVLCNDHFSNECNS-NWGYLPEXSA-N	242.128	-0.271	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=C[C@H]1CF	2247853747	QRXCZVUHBYVCMD-QMMMGPOBSA-N	239.011	-0.691	50	10	BBGE	
O=C(N(CC(F)F)C1COC1)C1(B(O)O)CC1	2247853883	TWROHQOSZWGGSM-UHFFFAOYSA-N	249.022	-0.514	50	10	BBGE	
CNC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247860629	ZEEHYMWDHXHIRG-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2247867801	MUWHOSNEDKXNPD-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
COCCOCCNC(=O)C1CC(B(O)O)C1	2247893534	UJHFAGFYMCWTJQ-UHFFFAOYSA-N	245.084	-0.981	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)C[C@@H]1O	2247898794	HSERVLJOYFCQQO-VFCFLDTKSA-N	241.096	-0.533	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1cocc1B(O)O	2249412647	YWHZQLKTXFUTLC-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2CCC[C@@H]21	2255452561	KQQWLZRRKBCWSC-WPRPVWTQSA-N	249.075	-0.108	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2255462510	WHWDCZUSCKNYCR-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255466056	SLPGULPFCMHHSW-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(C(=O)Nc2cn[nH]c2)c(B(O)O)c1	2255513673	VSCQVWAGTATXKA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cc(B(O)O)c[nH]1	2255671198	NWNXQUJIUXPIPO-AXAMDJFUSA-N	246.075	-0.921	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255679480	MIVSXOMXBBERIU-NQMVMOMDSA-N	248.091	-0.387	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2258142505	DRWKYVMRNPZXGP-GLLZPBPUSA-N	249.075	-0.266	50	10	BBGE	
CON(CC1CC1)C(=O)c1cccc(B(O)O)c1	2260403626	YKVAOODNVHKKGB-UHFFFAOYSA-N	249.075	-0.220	50	10	BBGE	
Cc1nnccc1CNC(=O)C1CC(B(O)O)C1	2261290418	GDSPEOVKCRIDJX-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H]3C[C@@H]2CO3)c1	2298272079	FXRLJSAWJCNCIJ-NGZCFLSTSA-N	236.080	-0.622	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)C1CC(B(O)O)C1	2298371305	HMFLZLDDPKXEJZ-CQPCXZHNSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371375	JXXFRJWDYKVXHP-SGIHWFKDSA-N	240.112	-0.600	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2298371854	XWBBHIABUKAEEM-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@H]12)[C@H]1C[C@H]1B(O)O	2298376517	ZTKAGZQJUILLMP-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@]2(CO)CC[C@H]1C2	2299759179	ZZEPRSXECPSDST-UXCLJVHYSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](CN(C)C(=O)C(=O)NN)(C2)O1	2303282304	CYFZMEPXQPKQES-XLDPMVHQSA-N	241.291	-0.608	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H](C)CC(N)=O)C(=O)NN	2303426025	JYGHMPNXFXTQES-KWQFWETISA-N	244.339	-0.412	50	10	BBGE	
C[C@@H]1[C@@H](Nc2cc(B(O)O)c(F)cn2)C1(F)F	2303835410	WTGNJHBDCQLDFI-SPGJFGJESA-N	245.997	-0.034	50	10	BBGE	
C[C@@](CCN)(C(=O)O)N1CCC(O)(C#N)CC1	2305448960	RYCWFJTZOLQTST-SNVBAGLBSA-N	241.291	-0.471	50	10	BBGE	
O=Cc1ccc(NCCC2CNC2)cc1B(O)O	2317306820	UPEHVEOKNIWJDQ-UHFFFAOYSA-N	248.091	-0.800	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccc(OC)cc1B(O)O	2319324106	TXQAEPPTKSGGBB-VIFPVBQESA-N	247.059	-0.110	50	10	BBGE	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCl	34407781	WTLYZPHPKZKYBR-RITPCOANSA-N	221.640	-0.640	50	10	BBGE	
CC(C)OCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	104105764	PLFPZPYZCAADLP-UWVGGRQHSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)CCCOc1ccc(C(N)=O)cc1	110560125	WBZMOQFKCQOXKN-UHFFFAOYSA-N	237.259	-0.066	50	10	BBGE	
NNC(=O)CCN1[C@@H]2CC[C@@H]1CC(O)C2	111214653	VJBORNUOAFSBDS-HTQZYQBOSA-N	213.281	-0.646	50	10	BBGE	
CCCN[C@H]1COC[C@@H]1C(=O)NN(C)C	147247554	YTTWEUHERWDXKN-IUCAKERBSA-N	215.297	-0.406	50	10	BBGE	
CC[C@@H](SCC(=O)NNC(C)=O)C(=O)O	162266867	KNHOJWBELSUMEZ-ZCFIWIBFSA-N	234.277	-0.250	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCCC[C@@H]1O	167006604	JOVLPBBAEASTDW-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](N)C(=S)N1CCC[C@@H]1B(O)O	207118699	ZEMFLZQUUHJMGT-NTSWFWBYSA-N	202.088	-0.863	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](O)C1	216482431	WERQZKGAKWBLAF-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
C/C(CC(C)(C)NC=O)=N\NC(N)=O	238037121	CQPMJFJOARWPRA-IZZDOVSWSA-N	200.242	-0.055	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@H]2CCOC2)O1	251522723	WZVWHQAGOGFEOM-YIZRAAEISA-N	230.264	-0.671	50	10	BBGE	
CN(C[C@H](O)CBr)C(CO)CO	308113914	LOKYWLDJEVYPOC-SSDOTTSWSA-N	242.113	-0.973	50	10	BBGE	
CCC(C)(C)OCCNC(=O)C(=O)NN	308557198	ZLVXPTVXAIMPJE-UHFFFAOYSA-N	217.269	-0.702	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(N)cc1O	308817027	FKCLWBUHLRKWDL-UHFFFAOYSA-N	209.205	-0.245	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@]1(C)CN	310368722	MZVJAFOMMFYMEH-SKDRFNHKSA-N	242.367	-0.081	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)CC1	322033293	LFIUXSCTZXYMOZ-ZKANADHPSA-N	247.364	-0.402	50	10	BBGE	
CNC(=O)C[C@@H](C)NS(=O)(=O)CCCl	322637167	BBSVQTUKHHXRQK-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)c1ccc(=O)[nH]n1	323124691	MXBCKJRADNCATB-FSPLSTOPSA-N	243.650	-0.494	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	395602255	CSIYZTOVGQIIGR-SFYZADRCSA-N	242.323	-0.659	50	10	BBGE	
COc1cccc(B(O)O)c1CC(C)=O	396025676	URWMFISJAAHRHJ-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(CO)ccc1B(O)O	396040947	NQEYBPBWJMFWGK-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
N#Cc1cc(B(O)O)c2sc(CO)cc2c1	396222518	NNWCPEQRFSFLLM-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc(B(O)O)c2c(CO)csc12	396247253	LACWUSUYFVXFRI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1sc2cc(B(O)O)ccc2c1CO	396345343	YAYBYGPUSBFKCU-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H](OCCOC1CCC1)C(=O)NN	400759356	POXZILBSVJXPDZ-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(B(O)O)cc1	405024570	ZHFICZMBYWTRSN-OAHLLOKOSA-N	227.094	-0.148	50	10	BBGE	
C=CCNC(=O)NCc1cccc(B(O)O)c1	405170336	SXBUBNDJPPPXEA-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
CCc1nc(C(=O)NN(C)C(=O)OC)no1	495759737	DEKARTYAZFKVHD-UHFFFAOYSA-N	228.208	-0.025	50	10	BBGE	
NC(=O)NNC(=O)CN1CCCCCC1=O	700852747	PFHSSXJSCJQLSZ-UHFFFAOYSA-N	228.252	-0.912	50	10	BBGE	
CO[C@@]1(C(=O)O)CCN(C(=O)NN(C)C)C1	704132174	RKMCWPSZIOHRRO-VIFPVBQESA-N	231.252	-0.652	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(n2cccn2)C1	707399735	OEWUQHYUNWSVBZ-ZETCQYMHSA-N	209.253	-0.882	50	10	BBGE	
N#CC1(O)CCN(C(=O)NOCC(=O)O)CC1	709357512	RVUSMUQIGVKAMV-UHFFFAOYSA-N	243.219	-0.937	50	10	BBGE	
C[C@@H]1CCN[C@H]1C(=O)N1CCC(O)(C#N)CC1	709384199	GLYVEESYJWAVIO-NXEZZACHSA-N	237.303	-0.139	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	713155421	UQHWAEUYFAPKDU-XLPZGREQSA-N	239.275	-0.950	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2C[C@H]2C2CC2)c1	714932183	LWHAZQMPBBLYMS-ONGXEEELSA-N	220.081	-0.001	50	10	BBGE	
CN(C)C[C@@H](CO)NC(=O)CCCl	716785442	KKYOISNQZRCNDL-ZETCQYMHSA-N	208.689	-0.346	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COC[C@@H]2C1	718187527	WZRANKPUXGQPNJ-RYUDHWBXSA-N	247.103	-0.555	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721785076	QIHZZOJGXQUUPD-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](O)[C@H](F)C1	725646867	YDFIUJUQLQMGLA-BWZBUEFSSA-N	211.664	-0.009	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1ccccn1	729222559	DARIJLWQBHBPIS-UHFFFAOYSA-N	222.248	-0.026	50	10	BBGE	
CNC(=O)NNC(=O)c1cnccc1N(C)C	758804512	MMTINMLMBHYBQQ-UHFFFAOYSA-N	237.263	-0.279	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1nccn(C)c1=O	896031044	OYNIZJHYZKIBHW-RNFRBKRXSA-N	238.247	-0.742	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN(CC)CCO	911443430	JHJCPCQUKLDLEL-QIUOEGRZSA-N	202.254	-0.731	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(C)[C@@H](C)CO	911444681	HKIKTWYGSSSPBM-ZETCQYMHSA-N	226.280	-0.071	50	10	BBGE	
CCOC(=O)NNC(=O)c1cccnn1	1118966353	JIHKGSLBGWDXJM-UHFFFAOYSA-N	210.193	-0.133	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2ccnnc2)n1	1162154776	RRDXIACBHDYTBF-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
O=S(=O)(CCl)NC1[C@@H]2COC[C@@H]12	1260937008	ZHBCBSWJPNEUHB-RFZPGFLSSA-N	211.670	-0.253	50	10	BBGE	
CC(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1303434758	WDODWWJHBMAMRG-UHFFFAOYSA-N	220.192	-0.915	50	10	BBGE	
CO[C@@H]1C[C@@H]2CC(=NNC(=O)C(N)=O)C[C@@H]2C1	1326614158	JJFRXQVANDQKFK-QMSLJYSESA-N	239.275	-0.221	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC1C[C@@H]2C[C@H]2C1	1328064400	YLSNORROJMZYOI-WDSKDSINSA-N	241.247	-0.712	50	10	BBGE	
C[C@H](CO[C@@H]1CCN(C)C1)C(=O)NN	1888720773	GCEFLJWWXHEPAC-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1O)[C@H]1C[C@H]1Cl	1893453890	RMPNGMAMXPNIHN-OSMVPFSASA-N	219.668	-0.120	50	10	BBGE	
O=C(NCC1(CO)COC1)[C@@H]1C[C@@H]1Cl	1893461874	UDIZQHCIUYFVAR-RQJHMYQMSA-N	219.668	-0.261	50	10	BBGE	
CN1CC(COCC2(C(=O)NN)CCC2)C1	1899511780	YKSXDJHENAZPHB-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cnsc1B(O)O	1900468622	YJFIYAVYCPWIIZ-ZCFIWIBFSA-N	238.077	-0.895	50	10	BBGE	
CSCCOc1ccc(B(O)O)cc1C#N	1901209094	MKTFACJFCPRFBC-UHFFFAOYSA-N	237.089	-0.020	50	10	BBGE	
C[C@@H](CF)Nc1ccc(C=O)c(B(O)O)c1	1901243651	YLLLQJICVBCIJA-ZETCQYMHSA-N	225.028	-0.051	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H]1C1CC1	1902508107	JFZFSCUXOQBZAH-VHSXEESVSA-N	221.065	-0.446	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cncs1	1913605750	IGCIOWLSHSMFFN-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
NNC(=O)C(F)(F)COC1CCOCC1	1927814572	NCRHICYJNRKBJQ-UHFFFAOYSA-N	224.207	-0.193	50	10	BBGE	
C[C@@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1927816107	HUTPSWPLXPBIGT-SSDOTTSWSA-N	223.223	-0.932	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1CCOC1	1927915932	LUYCQWZKUWONGA-XHNCKOQMSA-N	214.265	-0.335	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](F)[C@H](OC)C1	1928693792	HOPYUGFMOWHHNC-GJMOJQLCSA-N	219.260	-0.576	50	10	BBGE	
C[C@H](C(=O)NNCCO)[C@H]1CCCO1	1929835705	WTWDWUUSYGYGAM-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@H]2CCOC[C@H]21	1930484197	LUXPTXIGRGJJOL-IWSPIJDZSA-N	213.281	-0.809	50	10	BBGE	
CCC[C@@H](C)CN(C)C(=O)C(=O)NN	1932398785	HMSBKZFRGKIOIU-SSDOTTSWSA-N	201.270	-0.129	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CS(=O)(=O)C1(C)C	1933183428	AIMHSBSANIMYQF-RXMQYKEDSA-N	221.282	-0.923	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1936095018	SKFCXHOOCNQHCT-NXEZZACHSA-N	226.324	-0.750	50	10	BBGE	
NNC(=O)c1cc(CN2CCCCO2)on1	1937124065	JODCMCJVEJYSMM-UHFFFAOYSA-N	226.236	-0.195	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ccncc2C1	1937994331	QZRXALCWWUFUJB-QMMMGPOBSA-N	220.276	-0.182	50	10	BBGE	
CC1(C)C[C@H](CO)N(CCCC(=O)NN)C1	1938237638	PORXSLOBBVGTTG-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](C(=O)N(C)C)C1	1940303454	MJEOFMLYGJUJAV-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@H](O)CC[C@@H]21	1940523412	HMBIZIVLEGICPS-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2COC[C@H]21	1941780486	PZPHRKVUIZIXFE-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2OCCO[C@@H]2C1	1944741193	JKEJPBCLCSFPIX-QCLAVDOMSA-N	243.307	-0.900	50	10	BBGE	
Cc1cc(CN(C)C[C@@H](C)C(=O)NN)n(C)n1	1949602845	IEWPBRPYMZZYMX-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cnc2[nH]nnc2c1	1953072724	MZSZYXSUZGRHKQ-NKWVEPMBSA-N	204.193	-0.763	50	10	BBGE	
O=C(CCl)NCC[C@@H]1COC[C@@H]1O	1953871860	REYJDQNFBORNDE-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCl)CC[S@]1=O	1954066864	FZXCCCSIRICPFB-SREIQFSDSA-N	245.753	-0.035	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1C[C@@H](O)CCl	1956256570	QGLGXJPWOOBYMG-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
CN(CCN1CCOC1=O)C[C@H](O)CCl	1961460885	FXFFWMWLBRBJOI-MRVPVSSYSA-N	236.699	-0.030	50	10	BBGE	
Cc1cnn(-c2ncccc2B(O)O)c1	1961723458	MGRTTWJMOXSRQM-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(F)(CO)C1	1961737281	LYCBKBOYNZXKRN-NKWVEPMBSA-N	219.260	-0.983	50	10	BBGE	
CC12CC(C(=O)N3CC[C@@H](B(O)O)C3)(CO1)C2	1967585484	FOXXUNMGJUJVIT-MFAVDMRSSA-N	239.080	-0.369	50	10	BBGE	
C=C1C[C@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	1973735883	XFONYZNPIPGQQS-GFCCVEGCSA-N	245.087	-0.099	50	10	BBGE	
CC[C@@H](C)N(CC)c1ncncc1B(O)O	1981415264	BXVPQXDEMIWAAV-MRVPVSSYSA-N	223.085	-0.219	50	10	BBGE	
COCCCOc1ncc(C)cc1B(O)O	1981423985	MHJJQVRTCXOFKK-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
CC[C@H](CO[C@@H](COC)C(=O)NN)N(C)C	1983913841	NMSBZWWTKYJUKF-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
CN(C)C[C@H]1C[C@H](Cl)CN1c1nnnn1C	1984282866	GEFDVAPFCMLNTK-JGVFFNPUSA-N	244.730	-0.042	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12CC(CCO1)C2	1984460730	VDPGTWWWABVCPY-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529838	JNMOCSCOILACSL-UTLUCORTSA-N	226.324	-0.611	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)C1CCCCC1	1991333256	SWJOIRQPMKZFEE-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
COC[C@H](O[C@@H]1CCOC[C@@H]1F)C(=O)NN	1991732697	VTWVCDCJLACDBW-RNJXMRFFSA-N	236.243	-0.865	50	10	BBGE	
OB(O)c1ccccc1Cn1cc(F)cn1	1992090522	WJPRBOAEHLUTNN-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](C1)O2	1992327104	UORGOBRSLFRPDL-KNVOCYPGSA-N	235.234	-0.525	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccccc1B(O)O	1992836518	NFNCGMGRBJRNGN-SSDOTTSWSA-N	225.028	-0.546	50	10	BBGE	
O=C1CN([C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@H]4[C@H]23)CC(=O)O1	1995628231	NSOMSUBTCQXIGR-LAETZPSISA-N	219.240	-0.118	50	10	BBGE	
CCC[C@@H](C(=O)O)N(C)CC(=O)NNC(C)=O	1996554592	NPADIZGTXRZJOY-QMMMGPOBSA-N	245.279	-0.661	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCn1cccn1	2003826584	VRACCCFINKAKLM-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCn1cncn1	2003835233	OLXLGDIWICHNCB-RKDXNWHRSA-N	240.311	-0.776	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)[C@@H]1CCNC1=O	2004314851	UKAJVDSXVPTQJI-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H](C(F)F)C1	2004917094	UNJSYPLUAQRBAL-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H]2F)ccc1B(O)O	2006989347	SBZLTNRGNCOJDC-WPRPVWTQSA-N	237.039	-0.029	50	10	BBGE	
C[C@H](CCOc1ccc(B(O)O)cn1)N(C)C	2008232786	HODGQBRTAWVMHS-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
CN(CC(=O)NN)Cc1cn(C)nc1C(F)F	2008983976	IMNLBEREKDEXFG-UHFFFAOYSA-N	247.249	-0.221	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1ccc(F)cc1B(O)O	2014605220	OTPPVHQHIAPSBP-HQJQHLMTSA-N	240.039	-0.081	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C(C)(C)N)C1	2024900566	ZAWAYTBMDPPUOE-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(CCOCC(=O)NN)C1	2025523554	YRMFFPUPNKMABF-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@H]2C[C@@H]21	2026060583	MEORMUDGZQFMCR-OYNCUSHFSA-N	234.064	-0.276	50	10	BBGE	
CN(Cc1ncccn1)c1ncccc1B(O)O	2052490173	AJBKULVOEBHJKC-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCN(C)[C@H](C)C2)n1	2052625010	VSRHTCUZSMBZIO-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070854718	KYUCPHWNFFQOEP-JCRMPLGGSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@@]23CCOC3)nc1	2077644700	DHVXPTQWCPILEH-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H](F)C1CCC1	2209845220	DUAVKWTWBRLANU-ZCFIWIBFSA-N	203.217	-0.769	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1OC[C@H]2CCCC[C@@H]21	2210293468	AGKDSFHCKSZWGM-HRDYMLBCSA-N	227.069	-0.680	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H](F)C[C@@H](O)C1	2210699203	FQJOIMNHYKJMRH-LURQLKTLSA-N	233.287	-0.594	50	10	BBGE	
C=CCC(C)(C)Nc1ncc(B(O)O)cn1	2212602124	YWSOOPIERGUNET-UHFFFAOYSA-N	221.069	-0.077	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@H]1CCCO1	2217175886	OQCGPRONAIBXIG-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](C)[C@H](CO)Nc1ccc(B(O)O)cn1	2217179244	IILYANWQQLFMLF-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
C=C[C@]1(Oc2ncccc2B(O)O)CCNC1	2217182920	DODTYVCIGIJDCT-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
CCC(CC)(CN)Oc1ccc(B(O)O)cn1	2217184666	QSRGEUVDLJOCIL-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
CC1([C@H](CO)Nc2ncccc2B(O)O)CC1	2217204378	IWDGEIOYXSSSQS-VIFPVBQESA-N	236.080	-0.666	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)C[C@H]1CN	2223634871	PQXPRKBUNFQXMV-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)c(C)cn2)n[nH]1	2223639665	GGJQYHYWEXKLEV-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNC[C@H]1C1CC1	2223644315	HVMICSQVSFIHBF-GXSJLCMTSA-N	248.091	-0.862	50	10	BBGE	
CC1(C)CN[C@@H](CNc2ccc(B(O)O)cn2)C1	2223677693	RISRJNXSTXDNMS-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@@H]2C1	2224024965	KQKCLDNAUHFNBP-UTLUCORTSA-N	248.091	-0.641	50	10	BBGE	
O=C(F)OC[C@@H]1CO[C@@H]2CNC[C@H]2O1	2241301809	YLIQDZPDMFKEIP-RRKCRQDMSA-N	205.185	-0.152	50	10	BBGE	
C[C@H](C(=O)NCC#CB(O)O)C(F)F	2241438181	JTUZNZWWJJVOPM-YFKPBYRVSA-N	204.969	-0.981	50	10	BBGE	
CO[C@@H](C)CSc1nc(B(O)O)cs1	2241558725	KOFZIOOUBRPVTK-YFKPBYRVSA-N	233.123	-0.050	50	10	BBGE	
O=C1CN([C@H]2C[C@H](Cl)C2)C(=O)CN1	2241668934	GEFIVNDNZCLFLG-IZLXSQMJSA-N	202.641	-0.285	50	10	BBGE	
CC(C)C1(O[C@H](C)C(=O)NN)COC1	2242119336	SQGLJAQEOOGZFS-SSDOTTSWSA-N	202.254	-0.194	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	2242160207	IJZIUYDBTSQZST-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
C#CC(CO)(CO)NC(=O)CCCCl	2242273530	SPDCFKGCQWFASC-UHFFFAOYSA-N	219.668	-0.522	50	10	BBGE	
Cn1c(O)cc(=O)n(C(=O)CCCCl)c1=O	2243058156	FZXRWVTYDDOVCT-UHFFFAOYSA-N	246.650	-0.088	50	10	BBGE	
CC(C)C[C@@H](NC(=O)C#CB(O)O)C(F)F	2243356547	JHPCQQIPDCZDFG-SSDOTTSWSA-N	233.023	-0.202	50	10	BBGE	
CC(C)CN(CCC#N)C(=O)C#CB(O)O	2243357144	RWMILPSPWYLSJF-UHFFFAOYSA-N	222.053	-0.600	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=CCC1	2243357336	VEUOKRQVKYTZRA-UHFFFAOYSA-N	220.037	-0.903	50	10	BBGE	
O=C(NCCc1ccco1)C1(B(O)O)CC1	2243363848	NJWFDTVHSNSETM-UHFFFAOYSA-N	223.037	-0.055	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)sn1)C(C)(C)C	2243377926	JKKSWUXKAUXVHZ-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
Cc1cc(C(=O)NOCCF)c(B(O)O)s1	2243378063	LXPVRHHCPLDMIE-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C=C1CN(C(=O)c2c(C)nsc2B(O)O)C1	2243386398	ZOEPCFIJRAFVDR-UHFFFAOYSA-N	238.077	-0.857	50	10	BBGE	
C[C@@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CC1	2243397744	IHOOOQBDBGFJKT-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
CCN(O)C(=O)c1c(C)cccc1B(O)O	2243409591	LDILYYIWQOYYOI-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CCC[C@H]1C)B(O)O	2243411832	BAMKIKZGEMJADI-APPZFPTMSA-N	247.125	-0.337	50	10	BBGE	
Cc1nnsc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243414865	JLQACCARZDCQOU-NTSWFWBYSA-N	241.081	-0.674	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1CC12CC2)B(O)O	2243432907	FUPULOWIWHKDNW-MRVPVSSYSA-N	245.109	-0.726	50	10	BBGE	
CC#CC(=O)N(C)Cc1cc(B(O)O)cs1	2243684596	COAZGDQVOJFWDL-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
C[C@]1(CO)C=CCCN1C[C@@H]1C[C@H]1C(=O)NN	2246358798	IJJGIXPXMYAHLO-HOSYDEDBSA-N	239.319	-0.375	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@@H]21	2247722178	KXEHYDGYCYAQHW-CBAPKCEASA-N	235.048	-0.498	50	10	BBGE	
O=C(NC[C@@H](CO)C1CC1)C1(B(O)O)CCC1	2247732439	FQKYDPWFVMVMES-VIFPVBQESA-N	241.096	-0.482	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247734935	WHFQRXLFRAGTED-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(CCCF)CC1	2247742372	NVLAEQWHJHIABU-UHFFFAOYSA-N	241.071	-0.010	50	10	BBGE	
CC=CCNC(=O)c1ccc(F)cc1B(O)O	2247752138	JHYCWFVNQRAKHP-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CC[C@H](C)[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782494	VOTUNHDIQXEEBS-BQBZGAKWSA-N	239.084	-0.746	50	10	BBGE	
CC(C)(NC(=O)c1c[nH]nc1B(O)O)C1CC1	2247782499	VPBYTAQUHLUOAG-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@@H]21	2247805969	LORGAKNQCJPRBN-WYCDGMCDSA-N	239.080	-0.779	50	10	BBGE	
C[C@]1(O)CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247810142	VDUQOZGYSDSSDO-CKEKPRIKSA-N	241.096	-0.341	50	10	BBGE	
CNCc1ccc(NC(=O)C#CB(O)O)cc1	2247849428	ZUTRJOLVDCXBLH-UHFFFAOYSA-N	232.048	-0.640	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2247874245	PCEWWLHQKLNXSL-XVKPBYJWSA-N	234.064	-0.710	50	10	BBGE	
Cc1noc(CN(C)C(=O)C2(B(O)O)CC2)n1	2247877963	KUICHOSYLCVKRW-UHFFFAOYSA-N	239.040	-0.657	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1occc1B(O)O	2247879121	QYDSCGAXXRRKMM-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
CCn1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247894980	MWHXFLVGRLODQH-IUCAKERBSA-N	237.068	-0.618	50	10	BBGE	
CC#CCC(=O)Nc1ccc(F)cc1B(O)O	2248445360	KZWSVHXXXNTJMZ-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248575592	BWDBRMHPYVQSCN-OCAPTIKFSA-N	241.052	-0.661	50	10	BBGE	
O=C(O)CCCCCNC(=O)[C@H]1C[C@H]1B(O)O	2248577961	QNAUIAGIOLLOKM-JGVFFNPUSA-N	243.068	-0.390	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248578511	UIURFAUSPDJIQG-GJMOJQLCSA-N	241.052	-0.685	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)[C@@H]1C(=O)O	2248590025	YESDYPICZDIZHB-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2249415689	HSYRZDLTFZOPPT-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC=CC[C@H]21	2255486243	XRWRCDLSQRMNLK-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1cncc(B(O)O)c1	2255521897	CIDLCNHENUSMRA-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1ccoc1B(O)O	2255679183	KTAVLIYIADTQFK-IONNQARKSA-N	248.047	-0.619	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1ccoc1B(O)O	2255679184	KTAVLIYIADTQFK-VXNVDRBHSA-N	248.047	-0.619	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(F)ccc1B(O)O	2255689364	JYNCTRKYSDGTPO-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC2(CC2)C1	2255727443	PPWQTISKWVYLDV-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@@H]3C[C@H]32)c1	2255736108	GUBDWYJHXGSPAK-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC[C@@H]2C[C@@H]21	2255892228	ZHUUQYWAHJJISW-KCJUWKMLSA-N	246.075	-0.008	50	10	BBGE	
CC#CCN(C)C(=O)Nc1ccc(B(O)O)cc1	2255894080	XPCRCHLQELVHFI-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1nccnc1B(O)O	2256054330	FVFWRRZWGCYRIJ-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
CCn1cnc(NC(=O)c2cocc2B(O)O)c1	2258153985	ZYGBOINQMDWXLF-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369642	ALFSNMJAACSXTE-TURQNECASA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1B(O)O	2298463418	BZHIAKNOUHCCLI-OOJXKGFFSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2C[C@H]1C(=O)N2C	2299224677	RROXRNWEFNJTKB-CIUDSAMLSA-N	240.307	-0.940	50	10	BBGE	
C[C@]1(O)CCN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300375918	ZJQCXYBKMPJSIZ-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@H]1C(N)=O	2302061671	UTGXYDSLTGFDCM-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
O=C([C@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@@H](B(O)O)C1	2303103534	FMDSYJBOBZIPII-LJQIMJBSSA-N	235.092	-0.036	50	10	BBGE	
O=C(CN1CC[C@@H](B(O)O)C1)N1CCCCC1	2303122778	GKKLTVOLJIXZGH-SNVBAGLBSA-N	240.112	-0.452	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@H]2C[C@@H]3OCC[C@@H]3O2)C1	2303158401	LYRSFTACDFSETM-VLEAKVRGSA-N	241.096	-0.519	50	10	BBGE	
CNC(C)(C)COc1cc(B(O)O)c(F)cn1	2303858690	OZQBKPORCPWBLX-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
CCCN(CC(=O)NN)C1CCNCC1	84689454	GYLGDZTXSBRFDT-UHFFFAOYSA-N	214.313	-0.560	50	10	BBGE	
CCn1ccn(CCCC(=O)NN)c1=O	87667098	KVEAFFKRCWQCTK-UHFFFAOYSA-N	212.253	-0.560	50	10	BBGE	
CC[C@@H](C)C(=O)NNC(=O)c1c[nH]nn1	104646524	WDQWMJWGZAOMQL-RXMQYKEDSA-N	211.225	-0.388	50	10	BBGE	
NC(N)=NNC(=O)c1ccnc(Cl)c1	196573936	PNMHOBPFMJZMKI-UHFFFAOYSA-N	213.628	-0.347	50	10	BBGE	
NNC(=O)CC(=O)Nc1ccccc1C(=O)O	196748937	RDTWSCVXBKAORI-UHFFFAOYSA-N	237.215	-0.297	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2ccnc2C1	211723358	HUYBUDOQYSBDOW-SECBINFHSA-N	237.307	-0.143	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@@H](C)Br	234349168	XVIYCUXHWYBWIL-RXMQYKEDSA-N	237.097	-0.026	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@](C)(O)C1	253080305	VJCJYNYLTOEUQK-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc(F)cc1F	259025341	QLCSCJUNEUBGRW-QMMMGPOBSA-N	215.203	-0.176	50	10	BBGE	
CNC(=O)NCC(=O)NNC(=O)CCC(C)C	270465522	GIBWPFSXUPONQG-UHFFFAOYSA-N	244.295	-0.501	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H](C)CN(C)C	299996666	QEFAFHLRVPOWOE-VHSXEESVSA-N	230.356	-0.116	50	10	BBGE	
Cn1cc(C(=O)NCCBr)nn1	306349525	ULVQJYGJEGDBHU-UHFFFAOYSA-N	233.069	-0.060	50	10	BBGE	
Cc1cnc(B(O)O)cc1Br	306689887	AAPAJLCZRPNFTL-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)CCS1	306974812	MUAVIIUUWLHYGZ-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N(C)C)C1	382352736	QSTBELJMXZNBRD-ZETCQYMHSA-N	200.286	-0.999	50	10	BBGE	
COc1ncc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)cn1	384181668	QIHIFWTZHJAUQA-NTSWFWBYSA-N	241.634	-0.167	50	10	BBGE	
COC[C@H](C)N[C@@H](C)C(=O)NNC(C)=O	389898385	BKLLJQSGXHTLGA-BQBZGAKWSA-N	217.269	-0.833	50	10	BBGE	
NC(=O)NN=CCCC1=NNC(=O)NC1	394741554	GXSXDRJJLQLRTA-UHFFFAOYSA-N	212.213	-0.911	50	10	BBGE	
NNC(=O)c1coc(CN2CCSCC2)n1	395450083	UBJBYHJMSGZYRB-UHFFFAOYSA-N	242.304	-0.173	50	10	BBGE	
Cn1nnc(CNC(=O)CCCCl)n1	398068728	IRMNFQBJJVTNAP-UHFFFAOYSA-N	217.660	-0.155	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CC[C@H]1C	399428761	QJOZLIYTLNBRDY-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(OC(F)F)C1	399901683	FNYTVUYCRHJQAG-SCSAIBSYSA-N	209.196	-0.712	50	10	BBGE	
COC[C@H](OCCOCC1CC1)C(=O)NN	400785968	YHVAZHIIXBRGDO-VIFPVBQESA-N	232.280	-0.566	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnns1	405010833	TVPCRYMYLSQTPZ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)N(C)C)c1	405038990	UXVDMYJRXYDAQL-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
Cc1cc(C(=O)Nc2ccccc2B(O)O)no1	405043784	ZXTUTXIQSFOCIH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C=C(C)C[S@](=O)CC(=O)NNC(C)=O	526884467	LEGSIPBLWPURQI-AWEZNQCLSA-N	218.278	-0.522	50	10	BBGE	
C[C@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1	585037951	ONDWFWBCIXLFEF-GWCFXTLKSA-N	249.119	-0.119	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2N1CCCC1	686766857	YDOPNGYBRPJDDD-HTQZYQBOSA-N	210.233	-0.086	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)C(=O)NN)O1	688915373	MUBLCACHXOGRQV-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
C[C@@H](CCl)N(C)C(=O)c1nnn(C)n1	697204652	TWSMAPSLFZCHGI-YFKPBYRVSA-N	217.660	-0.091	50	10	BBGE	
CCCN1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703440499	YLIGTNZGOJCKNN-UWVGGRQHSA-N	238.287	-0.003	50	10	BBGE	
O=C(CCCl)N1C[C@H](CO)[C@@H](CO)C1	705329162	JQORFATYQOMKAO-HTQZYQBOSA-N	221.684	-0.326	50	10	BBGE	
COC[C@H]1CN([C@@H](C)CC(=O)NN)CCO1	705869793	PFBBXWJFAJQULS-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CS[C@H]1CC[C@@H](N(C)C(=O)C(=O)NN)C1	707279487	UHSJBVIVOKIBGZ-RQJHMYQMSA-N	231.321	-0.281	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1CCCC(=O)NN	708294939	FZKJEXDSADQAEE-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1OCCC1=NNC(=O)[C@@H]1COCCO1	747765225	XLEPSGINGFMBJI-CBAPKCEASA-N	228.248	-0.317	50	10	BBGE	
CON=CC(=O)NNC(=O)c1ccoc1	809641961	ZHFNNJFCGXPWHY-UHFFFAOYSA-N	211.177	-0.327	50	10	BBGE	
CN1CCN(C(=O)NN=Cc2cocn2)CC1	814911802	DAPGVIHDNONEKW-UHFFFAOYSA-N	237.263	-0.035	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CC1)c1ccoc1	824702069	LWBBRLANEBKLSB-QMMMGPOBSA-N	224.216	-0.189	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNC(=O)C1CCC1	900658165	HGAANZUGFYUWKU-DJWKRKHSSA-N	249.274	-0.218	50	10	BBGE	
Cc1cc(=NNC(=O)[C@H](O)C(C)(C)O)cc[nH]1	912981431	HSOCLWHPHHMNNB-VIFPVBQESA-N	239.275	-0.613	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1CC12CC2	1154457396	VJICFRMJLHCXTQ-ZCFIWIBFSA-N	212.249	-0.295	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@@]12CCOC2	1161432188	YAKBCZXPKMVPJN-IMTBSYHQSA-N	223.236	-0.326	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H]1C	1261100302	MZBFJPBOJAPUMB-PHDIDXHHSA-N	229.236	-0.712	50	10	BBGE	
Cn1cncc1CC(=O)NNc1nc[nH]n1	1611411145	JYARAXBNTZIOLA-UHFFFAOYSA-N	221.224	-0.776	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CC1)c1cnsn1	1637806447	QOAOIRHZBMFXHR-ZCFIWIBFSA-N	242.260	-0.930	50	10	BBGE	
COCc1cc(C(=O)NNc2nc[nH]n2)no1	1638766697	DQIHVAHIUDDUOS-UHFFFAOYSA-N	238.207	-0.304	50	10	BBGE	
CC(=O)NNC(=O)COc1coc(C)cc1=O	1860775103	FSQCYRVKYGWLKF-UHFFFAOYSA-N	240.215	-0.506	50	10	BBGE	
NC[C@H](N[C@H]1C[C@@H](Br)C1)C(=O)O	1880959322	WWWODHRREOEDKA-JKUQZMGJSA-N	237.097	-0.086	50	10	BBGE	
NC[C@@H](NC1CC(Br)C1)C(=O)O	1880965349	WWWODHRREOEDKA-JMMWHDCWSA-N	237.097	-0.086	50	10	BBGE	
COC[C@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883549760	CGGTVXFJGUZZDE-QYNIQEEDSA-N	206.673	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COCCF)O1	1886033965	TWCBDJQXCZMJSJ-BQBZGAKWSA-N	206.217	-0.490	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@H](O)[C@H](O)C1	1887704649	PVXFOSDJFZKWLU-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
CN(CCN)S(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1893128341	OARXTAQRWFTOCR-BQBZGAKWSA-N	241.744	-0.661	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H](O)[C@H](F)C1	1895683390	MVAQMIHFCYDMLX-PHDIDXHHSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3(CC3)C2)O1	1896175876	MXXSYBCFLAPDSM-BDAKNGLRSA-N	225.292	-0.380	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H]3[C@@H]2CO)CC1	1897339375	FVKFKGMEUCJNPY-CIUDSAMLSA-N	225.292	-0.931	50	10	BBGE	
CN(NC(=O)[C@@H](N)C1CC1)S(=O)(=O)C1CC1	1901359234	JMPCIYAILRLXGU-QMMMGPOBSA-N	247.320	-0.821	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(CC#N)CC#N	1901753126	QWEXUJFXOQOCJW-VIFPVBQESA-N	223.280	-0.116	50	10	BBGE	
CC[C@@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	1902516035	PEBFOFFGNASAKS-RKDXNWHRSA-N	228.101	-0.550	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@H]2CCCNC2=O)C1	1902551137	OQZVIDZELHJTMT-WPRPVWTQSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1csc(CN2[C@H]3CCC[C@@H]2C3)n1	1902638378	ZXYBSDSCJCXMSJ-OCAPTIKFSA-N	238.121	-0.050	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N([C@@H](C)CC(=O)NN)C1=O	1907613634	VXZSAEJRFLBKBA-RNJXMRFFSA-N	241.291	-0.214	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2OC	1907892486	BCCFTIGNPYTQGK-AXTSPUMRSA-N	243.307	-0.900	50	10	BBGE	
C[C@@H](CN1C(=O)CC(C)(C)CC1=O)C(=O)NN	1912261212	FBRJSENNOPNXLV-ZETCQYMHSA-N	241.291	-0.212	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CN[C@H](C)C1	1921520214	HNJZQWNWDPNTMH-RKDXNWHRSA-N	242.323	-0.917	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(CCCO2)C1	1928032606	JYZFQSHCALVFGF-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
CN(C)NC(=O)[C@@H](C(=N)NO)C1CCC1	1928409082	KXKMIKVOBQHIOE-SSDOTTSWSA-N	214.269	-0.048	50	10	BBGE	
O=C(CC[C@H]1CCCO1)NNCCO	1929835911	ZPOVNYZTAUTJJT-MRVPVSSYSA-N	202.254	-0.441	50	10	BBGE	
CC1(C)CN(C(=O)NN)CCNC1=O	1930655068	YJJJQSXVGJMYFC-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
COCC[C@@H]1CCCN(CC(=O)NN)C1	1930891565	CVUQFTMHVMTKHP-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@H](C#N)CN(C)CC1(C(=O)NN)CC1	1931267609	WSEMGFYYGDFIQS-MRVPVSSYSA-N	210.281	-0.152	50	10	BBGE	
O=C(CCl)N1CCC([C@@H](O)CO)CC1	1932258908	GPXRIJKTSVTXIV-QMMMGPOBSA-N	221.684	-0.183	50	10	BBGE	
CC1(C)CCN(CC(F)(F)C(=O)NN)C1=O	1935941926	MJWGGSKTWPLAIX-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2CC1(CO)C2	1936089755	FCSIQCILDXYABD-UVCIYIGYSA-N	225.292	-0.931	50	10	BBGE	
CC(C)N(CCC#N)CCOCC(=O)NN	1936525149	AEBDATPXSSSXMH-UHFFFAOYSA-N	228.296	-0.383	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H](CF)C1	1936530885	RQDCAMOCIKYRQJ-SECBINFHSA-N	233.287	-0.326	50	10	BBGE	
CCC[C@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1937988644	XRRLMIUVJMGBCG-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CC(C)(C)C(=O)NN	1939636501	CRJNUKYQFWHMOK-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1ccccc1OCc1cccnn1	1941974663	HTXMDSOHGFNODL-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2nc(C)cc2C1	1942326742	XEQKAAFHVHGMDP-SNVBAGLBSA-N	237.307	-0.224	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](O)CCC[C@H]2C1	1945659833	XBUWBWYHOACRMK-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cnc2ccnn2c1	1953037974	ISEHYTFUTJCLJA-IONNQARKSA-N	203.205	-0.386	50	10	BBGE	
OC1[C@H]2C[C@@H]1CN(C[C@@H](O)CCl)C2	1954106580	SQKPMRRLECXRRN-KRBWIIOGSA-N	205.685	-0.101	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@@H](O)CCl	1954822099	JUPTUTWTAHIUKR-RQJHMYQMSA-N	208.689	-0.218	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]1C(F)(F)F	1955729481	ZOFRORCMNSPZFR-GBXIJSLDSA-N	211.143	-0.957	50	10	BBGE	
C[C@H](O)[C@@H](CO)N1C[C@](C)(CCl)C1=O	1957186745	QDYHVXWLALLISH-OOZYFLPDSA-N	221.684	-0.185	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNC(N)=S)C1	1957318957	QYCIYKOTSMRNLO-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2N)CC1	1957818222	PTKCEFWDFREONL-HTQZYQBOSA-N	209.249	-0.789	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](F)[C@H](F)C1	1960933767	NVDYQTYBCICYJV-ULAWRXDQSA-N	221.251	-0.007	50	10	BBGE	
CC(C)OCC(=O)N1CCC(B(O)O)CC1	1964501397	VEQVNYJCFBLRFU-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
Cc1c[nH]nc1C(=O)N1CC[C@@H](B(O)O)C1	1964511084	VGNMZVPSXSJRNB-SSDOTTSWSA-N	223.041	-0.593	50	10	BBGE	
C[C@H]1C[C@@H]1OCc1c(C(=O)NN)cnn1C	1980592913	KUDRWPDMCYMWGW-RCOVLWMOSA-N	224.264	-0.051	50	10	BBGE	
C[C@H](CN1CC(O)(C(F)(F)F)C1)C(=O)NN	1980808911	CNRRGCLAJUFICI-RXMQYKEDSA-N	241.213	-0.779	50	10	BBGE	
NNC(=O)CN1CCC[C@H](n2ccnc2)C1	1981053135	FEEBAMZNLXVNJF-VIFPVBQESA-N	223.280	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1C[C@H]2O	1981217019	PFCFVBFLLSTJDL-HOTMZDKISA-N	225.292	-0.933	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2OCC[C@@H]2C1	1981243833	YTVPJVYWVIGTIR-OPRDCNLKSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	1981409933	TVDOSNQLVFYYKN-MRVPVSSYSA-N	221.069	-0.607	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985465770	SKCPRGFESBEUDJ-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CC(F)(F)C(=O)NN	1990041685	VCMMFOWYONSUEM-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@@H](CCO)C1	1991652749	RAJIRJUZWGBIAI-QMMMGPOBSA-N	247.678	-0.082	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)NC(=O)CCl	1992051957	CPFVZSIAOJCKOK-UHFFFAOYSA-N	246.658	-0.883	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2COC[C@@H]21	1992340420	ZDGZCXZQNUQEJE-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
CCNC(=O)C1CN(CC(C)(C)C(=O)NN)C1	2002651719	FHEYSQQIKJPOED-UHFFFAOYSA-N	242.323	-0.930	50	10	BBGE	
CCCNC(=O)[C@H]1CCCN1CCC(=O)NN	2003617696	GZNDQQOZDKYYRT-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CCC1(F)CN(c2ncc(B(O)O)c(C)n2)C1	2004974656	NSNLBSJMVDCZRI-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
CCN(CC)CCOc1ccc(B(O)O)cn1	2007037542	VCDPXPUJONRILX-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
NNC(=O)CCCOC1CC(n2cncn2)C1	2012100501	WMTDSVPMDGGWRE-UHFFFAOYSA-N	239.279	-0.232	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CC[C@@H]3C2)nc1	2014769788	MAHQZKHNPMKSRF-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCN(C)C(=O)C1	2014834407	PPVMGZFCZHJPLA-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC(C)(C)[C@H]1C	2019215110	SUZJDYPRTRSGBZ-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1Cc2cncnc2C1	2025620766	CPOPKWGUJGSAHT-SFYZADRCSA-N	235.291	-0.193	50	10	BBGE	
Cc1nc(-n2ccc(C3CC3)n2)ncc1B(O)O	2052600504	YNKZIHMYTVEVGY-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
COC12CC(C1)N(c1nc(C)ccc1B(O)O)C2	2065707858	QJLGHVCFNGSNKC-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	2079009791	UOBUMZSKSANVMR-GFCCVEGCSA-N	243.071	-0.492	50	10	BBGE	
CN1CCC[C@@H]1COC[C@H]1C[C@H]1C(=O)NN	2211854878	TUUSTQDOVNRUSM-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CC1(C)C[C@@]1(C)Nc1ncc(B(O)O)cn1	2212602245	ASVKTIFMQRWNAZ-SNVBAGLBSA-N	221.069	-0.243	50	10	BBGE	
CN(C)[C@@H]1CN(CCCC(=O)NN)CC12CC2	2215133550	OEYWMAZXJGWMDC-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2C(N)=O)CCCC1	2216870693	JPXPNRVTXJNDCA-QMMMGPOBSA-N	240.307	-0.904	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCC[C@@H](O)C1	2217175991	QDAJEROITQTCIF-RKDXNWHRSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2C2CC2)c1F	2217181744	UOICKFMWAURUPB-SECBINFHSA-N	236.055	-0.111	50	10	BBGE	
NC[C@H](COc1cc(B(O)O)ccn1)C1CC1	2217194183	ROQTXHLJFVEJQG-SECBINFHSA-N	236.080	-0.875	50	10	BBGE	
CC[C@H](CCO)CNc1cc(B(O)O)ccn1	2217194867	DNVDZCOCWUDOLZ-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
C#CC[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	2217201159	OKLUZGFPTXPOHU-SECBINFHSA-N	231.064	-0.994	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]2C2CC2)nc1	2217201714	ZOLKEUMIVINSNH-NXEZZACHSA-N	233.080	-0.243	50	10	BBGE	
C[C@H]1C[C@H]1CCCn1cc(B(O)O)cnc1=O	2217408677	IUXRYLHKNFGRQV-DTWKUNHWSA-N	236.080	-0.641	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1Cc1cccc(B(O)O)c1	2220062231	GERSWLMHYHDBTG-CMPLNLGQSA-N	248.135	-0.465	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3COC[C@H]32)c1	2223628149	PHCRXMVFSGWEDS-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
CC(C)N1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223668607	ZALYHSHIMJAGJF-LLVKDONJSA-N	249.123	-0.344	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)CC12CCCC2	2243349622	OBEBATPGBJSEQC-UHFFFAOYSA-N	221.021	-0.927	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC=CCC1	2243359318	QTYJUUSJIRYQBP-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C[C@@H](NC(=O)c1sncc1B(O)O)C1CC1	2243385371	HKYQFUAXZSSMMB-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
O=C(N=c1cc[nH]cc1)[C@H]1C[C@H](B(O)O)C1	2243392472	UMCJXMBIAQLPCK-ZKCHVHJHSA-N	220.037	-0.305	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397111	VTNWHLGXKPPZIO-UYXSQOIJSA-N	227.069	-0.921	50	10	BBGE	
CC/C=C\CNC(=O)c1ccoc1B(O)O	2243400404	AKCQFOVXTIPTNI-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1sncc1B(O)O	2243414710	GZMCYKNLYGFWGY-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC=C(F)C1	2243415316	RXNRYNCXUOISQX-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
O=C(NCC=C(F)F)c1occc1B(O)O	2243771284	KTHIDXWZBWNBDD-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=CCC1	2244206166	SJMRBAFTAXBJQW-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@@H]1CCCCO1	2246747996	JXDSROIDIVGAET-LLVKDONJSA-N	237.064	-0.025	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1ccoc1B(O)O	2247738242	OSZQJZUKHMUGEO-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C#CB(O)O)C[C@@H](C)O1	2247748250	ZVHXMBHDGGBARS-ILWJIGKKSA-N	239.080	-0.678	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247749950	BWKCHWMXBHZPKW-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
CN(Cc1nccn1C)C(=O)C1(B(O)O)CC1	2247757943	YLUWDYJZHGZZTA-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@@]2(CO)C1	2247786813	GXZACXOFGZDNPS-REIXXSIJSA-N	239.080	-0.920	50	10	BBGE	
C[C@H]1CO[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787235	MJKDLIUBKIYOKU-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC([C@H](F)CO)C1	2247788034	YHABNFLYZBKECY-BWVDBABLSA-N	245.059	-0.972	50	10	BBGE	
C[C@H]1c2cccn2CCN1C(=O)C#CB(O)O	2247850603	QLIHAZDAAGGIGG-VIFPVBQESA-N	232.048	-0.593	50	10	BBGE	
N[C@H]1C[C@](F)(CNC(=O)C2(B(O)O)CCC2)C1	2247873687	DYPOLJVGNGDUDN-OTSSQURYSA-N	244.075	-0.671	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)c1cn[nH]c1	2247877706	JEELXQFELNZFDP-SSDOTTSWSA-N	237.068	-0.016	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247877708	JEFRUAFDVZVJOM-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)C1(B(O)O)CCC1	2247879564	USEWRVFEPFHVFC-UHFFFAOYSA-N	238.027	-0.022	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247888411	ZEEHYMWDHXHIRG-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@H]12)[C@H]1C[C@@H]1B(O)O	2247896567	ZTKAGZQJUILLMP-AXTSPUMRSA-N	238.096	-0.798	50	10	BBGE	
CCN(CC(C)(C)CN)C(=O)[C@H]1C[C@H]1B(O)O	2247898426	DLPXZFOQZCBSNY-DTWKUNHWSA-N	242.128	-0.317	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](O)C(F)(F)C1	2247911340	VLFUAGMATWBJNT-AHXFUIDQSA-N	249.022	-0.922	50	10	BBGE	
C#CCC(=O)N1CCc2cccc(B(O)O)c21	2248396044	UOZLROOQFCCRJE-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CON(CC(C)C)C(=O)c1cocc1B(O)O	2249417505	HAZAZNSMVKTRGF-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)NCCC#CB(O)O	2250004005	FJXZGMHPMKTRGX-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1coc(B(O)O)c1	2255457999	LQGSGLBIMFTSBB-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2cc(B(O)O)c[nH]2)C1	2255464083	REORHLUZGMTERJ-UHFFFAOYSA-N	248.091	-0.269	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1occc1B(O)O	2255488739	JHPGSWFRYUPTFI-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1ccc(C(=O)NC2[C@@H]3CC[C@@H]23)cc1B(O)O	2255512583	BWWLAOANLQPEJD-NXEZZACHSA-N	245.087	-0.187	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@@H]32)ccc1B(O)O	2255513728	WUFGUPMMTZRSFB-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)c(F)c1	2255514351	HKUVWRWJMNRJMZ-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1ncccc1B(O)O	2255518783	OSHFCPCBZVKEBC-QPUJVOFHSA-N	246.075	-0.566	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255680456	MEBSNGUSOCUIBI-SNVBAGLBSA-N	248.091	-0.221	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H](C2CC2)C1	2255728403	FWZGHKRYIOGHPB-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
O=C(NCc1ccc(CO)cc1)[C@@H]1C[C@H]1B(O)O	2255774289	QDKKJEVSXLGPCE-GHMZBOCLSA-N	249.075	-0.342	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2256016568	KKJKKMSPKQKRML-OIBJUYFYSA-N	249.075	-0.400	50	10	BBGE	
COC[C@]1(C)C=CCN1c1ncccc1B(O)O	2257131284	LXCBRFSKVFZFIL-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cc(B(O)O)co1	2258134851	PGOYAIVBKFGTPK-JUXNZWQXSA-N	247.059	-0.656	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2CC1=O	2298168316	YIUQBBJSSJJZCF-JXUBOQSCSA-N	237.303	-0.129	50	10	BBGE	
O=C(NC[C@H]1CCCNCC1)[C@@H]1C[C@H]1B(O)O	2298371329	IANCUXQWCJOVOV-IVZWLZJFSA-N	240.112	-0.645	50	10	BBGE	
O=C1[C@@H]2[C@@H](CN1C(=O)[C@@H]1C[C@H]1B(O)O)C2(F)F	2298376263	PEEDJWNELPTAEQ-KAZBKCHUSA-N	244.990	-0.901	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2299935617	YFHZSMNWUMODJI-HJGDQZAQSA-N	241.096	-0.389	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC(O)CC1	2300395866	GDTJXLGEEMUBAM-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	2301124250	KZIAPGPGVHYZBK-KKZNHRDASA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@H](C)CC(N)=O	2302021554	BFWJFUDNAVHGCQ-DTWKUNHWSA-N	244.339	-0.269	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H](OC)C1	2306805461	TVANYFRLELXVRR-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2306891425	BDORHFTYUDOKCP-OUAUKWLOSA-N	242.367	-0.116	50	10	BBGE	
CCC1(Oc2ccc(B(O)O)cc2C#N)COC1	2317167688	KJZLLOIYLATLKG-UHFFFAOYSA-N	247.059	-0.204	50	10	BBGE	
COC(=O)CC(=O)[C@@H](Cl)C(=O)OC	2033295	KMWRXWZCNKWYSF-ZCFIWIBFSA-N	208.597	-0.101	50	10	BBGE	
NNC(=O)C(=O)N1CCN(c2ccccc2)CC1	8436144	WYMHGFNWRZBCGP-UHFFFAOYSA-N	248.286	-0.675	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCS(=O)(=O)O	41711263	WJBIQLRWQRHABN-SCSAIBSYSA-N	215.658	-0.382	50	10	BBGE	
CCCNC(=O)CN(C)C(=O)NC(=O)CCl	42519962	WAMCCYSRMIDOCT-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC(N)=O)CC(C)C	82469882	WYHAVKIESCVJPL-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@H](C)C(=O)NN	82470375	KERDUMWFSZXHAX-QMMMGPOBSA-N	230.312	-0.931	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)C1CC1	82470836	WGZNZYBRCUDAFL-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1ccoc1Cn1ccc(C(N)=O)n1	85196212	ZHXXJTHQRPNDED-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
NNC(=O)CCCn1cnc2c(N)ncnc21	110603918	WUSCAYUYABWXQU-UHFFFAOYSA-N	235.251	-0.821	50	10	BBGE	
O[C@@H]1[C@@H](Br)[C@H]2O[C@H]2[C@@H]2O[C@H]12	135770831	LVCQLWWLDHWMCB-CTBIGQHSSA-N	207.023	-0.341	50	10	BBGE	
COC(=O)NCC(=O)NNC(=O)c1ccoc1	142752419	VSCYBKOGBDAHIR-UHFFFAOYSA-N	241.203	-0.603	50	10	BBGE	
C[C@@H]([C@@H]1CCOC1)N1CC(=O)OC(=O)C1	158754349	TYKHCRDBEOYHGH-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
CO[C@@H](C)COc1cccc(B(O)O)c1	228582863	SHVTXUPZEZGPEX-QMMMGPOBSA-N	210.038	-0.220	50	10	BBGE	
C[C@@H](CCN1CC(=O)OC(=O)C1)[S@@](C)=O	229872330	WVRLNZLTYPTYFS-NZFNHWASSA-N	233.289	-0.471	50	10	BBGE	
C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NN	251844177	QTWPKBAGIYGKGQ-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
COC(=O)c1cnn2ccc(C(=O)NN)cc12	259862266	MSBSBRYEOVJQRI-UHFFFAOYSA-N	234.215	-0.276	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](C)(C(N)=O)C1	300533037	RHIWKDPPBYXELN-KCJUWKMLSA-N	242.323	-0.658	50	10	BBGE	
NC(=O)CNc1nc(N)nc(CCl)n1	306366643	GYZQXLHIILLZLP-UHFFFAOYSA-N	216.632	-0.910	50	10	BBGE	
Cn1ncc(CN[C@H]2COC[C@@H]2Cl)n1	307055494	ZDEQEKUVUSXSOY-YUMQZZPRSA-N	216.672	-0.089	50	10	BBGE	
CS(=O)(=O)CC(=O)NC/C=C\CCl	308034672	RQXKJZYDTVQFHP-IHWYPQMZSA-N	225.697	-0.058	50	10	BBGE	
NNC(=O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O	308686403	WJVQYGMISAAMLE-RULNZFCNSA-N	210.233	-0.111	50	10	BBGE	
Nc1cc(F)cc(OC(F)(F)F)c1B(O)O	322272945	PINSHSCLALNPNZ-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCC[C@@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO	379248903	GSIMLUVFAXEHQL-WCTZXXKLSA-N	212.673	-0.531	50	10	BBGE	
COC(=O)N/C=C(C)\C=N/NC(N)=O	394639460	MPFSDXDGFDYBFP-GZDBDKJZSA-N	200.198	-0.100	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1cnnn1C	394920129	MGBQRFIKLUIFCM-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
CC(C)(C)[C@@H](Sc1nc(=N)[nH][nH]1)C(=O)NN	395607251	ASWBICNDFHMBJP-BYPYZUCNSA-N	244.324	-0.286	50	10	BBGE	
CCc1cc(=O)n(CCC(=O)NN)cn1	395613625	GSRHPVJEDPMWCE-UHFFFAOYSA-N	210.237	-0.814	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(B(O)O)ccc1CO	396064599	YRMYKBOTHZAMQK-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
N#CCc1ccc(B(O)O)c(CCC=O)c1	396137570	LOXWSAFMBJVXFF-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Br[C@@H]1CN[C@@H]2[C@@H]3CCN[C@@H]3NCN21	605699481	NXIYUODFZNXMKV-CWKFCGSDSA-N	247.140	-0.565	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)[C@@H](COC)C(=O)NN	688156294	GXPUZIDCWROMJF-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)C[C@@H](C)O1	689158235	BMABGJLYRMHZFL-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCO)CC(C)(C)C	689974304	SBURKPLJTSYJPU-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCCC[C@H]1C2	693536210	LTMOWDUGQZZAID-XVKPBYJWSA-N	211.265	-0.327	50	10	BBGE	
CN1CCN(c2nnc(CCl)o2)[C@@H](CO)C1	699436896	RFKVDVYJGZHFRC-SSDOTTSWSA-N	246.698	-0.079	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@H](CO)C1)C(=O)NN	700396789	DOIZEALIMGMYGR-BBBLOLIVSA-N	229.324	-0.437	50	10	BBGE	
CNNC(=O)C1CCN(C(=O)C2CC2)CC1	704667743	JXEDSGZKPDGBKI-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
COC[C@](C)(CCl)NCc1nnn(C)n1	716819307	JZWIMVYSMASQMZ-QMMMGPOBSA-N	233.703	-0.056	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([C@@H](C)O)C1	719809357	BBSIMBCORYNSDO-SCZZXKLOSA-N	229.324	-0.296	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1COCC[C@@H]1N	725614201	PPPWRGCRJDTGRH-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	780907009	IGYVWQDXSMABBL-QYNIQEEDSA-N	213.237	-0.628	50	10	BBGE	
Cc1nnc(NNC(=O)[C@](C)(O)C(C)C)n1C	856047141	ZDUOKEVBBUSBBV-SNVBAGLBSA-N	241.295	-0.026	50	10	BBGE	
Cc1nnc(NNC(=O)CN(C)C)n1C	856048911	RDAHNQYHRZJKPF-UHFFFAOYSA-N	212.257	-0.872	50	10	BBGE	
CC(C)[C@H](F)C(=O)NNC(=O)c1cnn[nH]1	1293054445	HNYFECJWLVXXCS-LURJTMIESA-N	229.215	-0.440	50	10	BBGE	
C#CCOCCC(=O)NNC(=O)c1ncccn1	1536595663	ONPGCBRIPNDABM-UHFFFAOYSA-N	248.242	-0.723	50	10	BBGE	
CN(NC(=O)Cn1ncc2cccnc21)C(N)=O	1630877988	JUSLWUURLSGWRY-UHFFFAOYSA-N	248.246	-0.527	50	10	BBGE	
CC[C@H](F)C(=O)NNc1nccn(C)c1=O	1641353490	ZDAWDXXWYBBTGK-LURJTMIESA-N	228.227	-0.029	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CCOC[C@H]1C	1654303128	IUVXVFQETMBKRE-SECBINFHSA-N	243.307	-0.490	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCl)C[C@@H]1O	1883746799	QTFAMRCTFVAWDB-XPUUQOCRSA-N	207.657	-0.431	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2NC(=O)O[C@@H]2C1	1884553574	JVHSYQUSLOZWLB-KVQBGUIXSA-N	218.640	-0.067	50	10	BBGE	
C[C@@H](COC[C@@H](C)C(=O)NN)N(C)C	1888721592	PYZCLNUCKGONNI-SFYZADRCSA-N	203.286	-0.421	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnsn2)C1	1891490084	AGINFEZOGHROPR-ZCFIWIBFSA-N	213.071	-0.413	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]1CF	1892436785	VWCBIVJHONPSFP-SSDOTTSWSA-N	203.217	-0.803	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1[C@@H]2CNC[C@@H]21	1893404741	JKSNZGLXWNNUFR-KPCSLPGQSA-N	214.652	-0.358	50	10	BBGE	
CN(C)CCOC[C@@H]1CC[C@H](C(=O)NN)C1	1895941554	TXULKVLESWYPCI-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@H]2C(=O)NN)C1	1899510278	PLXWEDQJTFWXCR-NXEZZACHSA-N	227.308	-0.419	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1901869845	HQYLWTMGYPBWAO-RGOKHQFPSA-N	227.308	-0.136	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)[C@@H]2C[C@@H]21	1906867544	UOKJGGARFFSDJJ-IVZWLZJFSA-N	240.351	-0.221	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2C[C@@H]2C1	1907080913	QDNAHVHHYMKWJU-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
NCC=Cc1ccc2c(c1B(O)O)OCO2	1911651931	DWAPVLZPEJQIKN-UHFFFAOYSA-N	221.021	-0.933	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)NN(C)C	1913211965	OKRXBPBFSHMRCO-NTSWFWBYSA-N	201.226	-0.280	50	10	BBGE	
C[C@H](CN1CC[C@H](CC#N)C1)C(=O)NN	1915063156	NQQMWTCZGOZPBE-BDAKNGLRSA-N	210.281	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CS2	1927914015	PUIWOMLLEUIZKC-XAVMHZPKSA-N	227.333	-0.198	50	10	BBGE	
CN(CC(=O)NN)OCC(F)(F)F	1928707242	UVFOZFRGYCSUHA-UHFFFAOYSA-N	201.148	-0.598	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COC[C@H]1CCl	1928749101	PSASKXZIOPHWMK-RNFRBKRXSA-N	242.728	-0.364	50	10	BBGE	
C[C@@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1	1931268791	KZGPWABLRLCMJC-SSDOTTSWSA-N	211.265	-0.375	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(CCO)C1	1932109649	ZBCUQAKLYSEVSE-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	1932261634	MFUPYQRWTKPNDY-PKIKSRDPSA-N	209.293	-0.046	50	10	BBGE	
Cc1cccn(CC(F)(F)C(=O)NN)c1=O	1935942528	RMKMXVDEGYGBKA-UHFFFAOYSA-N	231.202	-0.218	50	10	BBGE	
N#C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094223	LKGOLPOSOYXZPS-LPEHRKFASA-N	222.292	-0.152	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1CCOC[C@@H]1Cl	1937145537	KTCNFNBIRHCSKG-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
C[C@@H](CN1CCC(C)(C)[C@H](CO)C1)C(=O)NN	1943839721	BWUVTWAXXPTMEZ-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@H](CO)[C@H]2C1	1944547002	FWIXOAQKCSBCDS-XXFSISAASA-N	239.319	-0.827	50	10	BBGE	
C[C@@H](CN1CCNC(=O)C(C)(C)C1)C(=O)NN	1945235355	ZTDYWYXCDVZCQY-QMMMGPOBSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)[C@@H](C3CC3)C2)CC1	1945883232	WEYIJVGCKKCPEB-NXEZZACHSA-N	239.319	-0.541	50	10	BBGE	
O=C(c1cncs1)N1CC[C@H](B(O)O)C1	1951320184	FSKISXPGCYMUIH-LURJTMIESA-N	226.066	-0.168	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](CO)[C@H](C)O	1954186454	UUPHSLLDTCDZEC-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)OCCl	1954819042	JUJNNVMTYQAFSW-JKUQZMGJSA-N	209.629	-0.207	50	10	BBGE	
CO[C@H]1CC(OCC(=O)NN)C[C@@H]1OC	1957610458	BVQYMTDSKGOUPB-YUMQZZPRSA-N	218.253	-0.815	50	10	BBGE	
C[C@H](CN1CC[S@](=O)C[C@H]1C)C(=O)NN	1961550214	AJPYGPSSDBTZLJ-PISXGGPESA-N	233.337	-0.935	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1nc(B(O)O)cs1)C2	1961717602	CSTKBCKSEKJZCO-MUWHJKNJSA-N	224.094	-0.331	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@]1(C)CCOC1	1974594838	HSKHLIINQOIKGP-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@@H]1F	1974659255	NKEFSMFTQUVNQK-IMJSIDKUSA-N	230.029	-0.881	50	10	BBGE	
COC(=O)CSCCC(F)(F)C(=O)NN	1975103715	KIQAZQSZSABOJB-UHFFFAOYSA-N	242.247	-0.092	50	10	BBGE	
NNC(=O)Cn1cc(C(F)(F)F)cnc1=O	1977987940	JHPRPTUINQETMU-UHFFFAOYSA-N	236.153	-0.748	50	10	BBGE	
CC[C@@H](COC)N(C)CC(F)(F)C(=O)NN	1979241905	QSJQMSVUYSUXCS-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCC#N)CCC#N	1980712803	BLJMZARBMDEQOK-SECBINFHSA-N	223.280	-0.116	50	10	BBGE	
OB(O)c1ccc(N2CCCC23CC3)nc1	1981409601	PDMNOVBHRIIHRQ-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1ncc(B(O)O)cn1	1981417097	WYTCUNQGVNWBFX-SFYZADRCSA-N	221.069	-0.609	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)c1nc(B(O)O)cs1	1981470317	ACLHKVQMDCHVGU-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
NC(=S)NNC(=O)c1cccc2ncnn12	1986338935	DYKFEDDGBLACCV-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1ccc(B(O)O)cc1	1987767836	AIJJYAXGKFSXHU-LDYMZIIASA-N	222.049	-0.220	50	10	BBGE	
CN1CCCN(C(=O)C=CC(=O)Cl)CC1=O	1991655197	SPVOLEROWFLEOH-UHFFFAOYSA-N	244.678	-0.001	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]2[C@@H]1CCl	1992526083	CMVHXCJJRDPXKG-RNJXMRFFSA-N	241.682	-0.241	50	10	BBGE	
CC[C@@H](C)OC(=O)Nc1ncc(B(O)O)cn1	1996645732	NMELSPWWOYHADE-ZCFIWIBFSA-N	239.040	-0.497	50	10	BBGE	
CCN1CCN([C@H](COC)C(=O)NN)[C@@H](C)C1	1998400571	GYBVFCQMRACIGK-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC([C@H](F)CO)CC1	1999598404	CYFLSDRCQLJXGM-ZJUUUORDSA-N	247.314	-0.203	50	10	BBGE	
Cc1nnc(CN(C)C[C@H]2C[C@H]2C(=O)NN)o1	2004409345	JGYYQHXUTCORRZ-HTQZYQBOSA-N	239.279	-0.564	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cn1	2004917318	AXNHGAGVENHTAW-NXEZZACHSA-N	232.092	-0.146	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	2004936023	TXFFXBSHNARCME-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
Cc1ncnc(N2C3CCC2CC3)c1B(O)O	2004972465	GJZFUYRQQXLCPO-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C(CO)[C@H]2C1	2008868301	UZXYCNMGQBGEJJ-BQBZGAKWSA-N	249.261	-0.828	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@H](CC(=O)O)O1	2009301898	OKEIVBQRIMMYSA-YUMQZZPRSA-N	245.279	-0.263	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CC[C@@H]2O)C1	2009520981	QPFVPYRWVOKOFS-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H]1CC(N)=O	2011912126	FOLWJMWATIBUAX-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1ncc(B(O)O)cn1	2016811876	IHSDDBJSCLZORJ-JGVFFNPUSA-N	239.059	-0.802	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1COCCC1(F)F	2020057789	VGUXEKJIBHLVHV-SSDOTTSWSA-N	249.022	-0.657	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@]12CCCOC2	2021122810	PHYSZEFVFDGCJA-ONGXEEELSA-N	239.080	-0.513	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)cc1O	2021164745	LUTCQNAYDRWACU-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2COC[C@H]21	2052492078	PVVCPAPUZHRJEB-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
CCOc1cnn(-c2ncc(B(O)O)cc2C)c1	2052597529	RIWMVVNJDZXPRA-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H](C)C2CC2)n1	2052627898	RZGODZGXGYBFPU-MRVPVSSYSA-N	249.123	-0.053	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H]2CC[C@H]1C2	2058161349	UFLRYQHNTZVWES-GARJFASQSA-N	247.103	-0.036	50	10	BBGE	
Cc1nc(N2C[C@H]3COCC[C@@H]32)ccc1B(O)O	2073043739	RAGOVPKATBNASC-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCC[C@H](O)[C@@H]1O	2209413299	CDUCXMRQTWFSST-DSYKOEDSSA-N	243.712	-0.624	50	10	BBGE	
CC(C)(CCN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2213889782	VQBVOWMMWOJVLT-DTWKUNHWSA-N	247.314	-0.203	50	10	BBGE	
Cc1cnc(O[C@@H](C)CCCN)cc1B(O)O	2217168937	ZQBDTJAKDPFZEM-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
CCCC[C@H](CN)Nc1cc(B(O)O)ccn1	2217175834	NXGCBXJFSLNADL-SNVBAGLBSA-N	237.112	-0.309	50	10	BBGE	
CC[C@H]1COC[C@@H]1Nc1ncccc1B(O)O	2217177035	DTIXCQAAULYJGF-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC[C@@H](O)C2)c1	2217178859	BRXCDTQVZBJCQA-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccc(=NCc2ccncc2)[nH]c1	2217179162	HHBUFJRNCDTTDP-UHFFFAOYSA-N	229.048	-0.810	50	10	BBGE	
Cc1cnc(N2CCOC[C@H]2C)cc1B(O)O	2217180294	GNVGPBMXAVQMKT-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CCN(C[C@H](C)N)c1cc(B(O)O)c(C)cn1	2217187365	XFJHLRPIVQLQJF-VIFPVBQESA-N	237.112	-0.757	50	10	BBGE	
C[C@H]1CCOC[C@H]1Nc1ccc(B(O)O)cn1	2217197648	PDCLGCJDRIFMRI-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C=CCC[C@@H](CO)Nc1ccc(B(O)O)cn1	2217202127	HZZGAYPVXOOTHY-JTQLQIEISA-N	236.080	-0.500	50	10	BBGE	
COC[C@@H](C)CCN=c1ccc(B(O)O)c[nH]1	2217203912	BWTJPQPUEMGIGQ-VIFPVBQESA-N	238.096	-0.732	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CN[C@@H]3CCC[C@H]23)c1	2223628185	POVULVOIIZLZEG-HBNTYKKESA-N	247.107	-0.686	50	10	BBGE	
C=CCN(C)C1CN(c2cc(B(O)O)ccn2)C1	2223635606	ZEQYFKQZMRNOFB-UHFFFAOYSA-N	247.107	-0.932	50	10	BBGE	
Cc1nscc1CC(=O)NCC=CB(O)O	2242940362	LUACDTPBQDOYPG-UHFFFAOYSA-N	240.093	-0.322	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cscc1B(O)O	2243348484	YGHKDIUCYJWERL-MUWHJKNJSA-N	239.105	-0.092	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]1CF	2243357677	ZZKRRNDWIMTVMV-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
C[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383287	WOMRJQRFZXYBNE-RBXMUDONSA-N	227.069	-0.610	50	10	BBGE	
O=C(NCCc1cnsc1)[C@@H]1C[C@@H]1B(O)O	2243383578	ZHZZCPBSCWHREI-SFYZADRCSA-N	240.093	-0.335	50	10	BBGE	
Cc1nnccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243392295	SVGKHHDKIVIEKS-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CCC1)C1CC1	2243398384	QANZNTUDYRRNNT-QMMMGPOBSA-N	226.085	-0.763	50	10	BBGE	
C=C(CS(=O)(=O)NCC=CCCC)B(O)O	2243420829	ZVWIXGGYMDEDMK-UHFFFAOYSA-N	247.125	-0.170	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1CC(N)=O	2244147702	AEELCORAJAXUOM-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cocc1B(O)O	2244213924	LJMIOSGNTAFVAY-KPCSLPGQSA-N	221.021	-0.902	50	10	BBGE	
OCCCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912747	GMYMOQYQMFAIAI-UHFFFAOYSA-N	244.487	-0.979	50	10	BBGE	
C=CCN(C(=O)c1coc(B(O)O)c1)C1CC1	2247724523	ZCTLDZMUZBAPDA-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
Cc1cc(CN)cc(NC(=O)C#CB(O)O)c1	2247737047	BMQOZBOEJWMXTF-UHFFFAOYSA-N	232.048	-0.592	50	10	BBGE	
C[C@@]12CCCN(C(=O)C#CB(O)O)[C@@H]1COC2	2247741169	VVIHQWMMSIPCER-KOLCDFICSA-N	237.064	-0.971	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2C)n1	2247754102	DZNXXMRPOMKIIM-HZGVNTEJSA-N	234.064	-0.792	50	10	BBGE	
CC(C)(C)[C@@H](CO)CNC(=O)C1(B(O)O)CC1	2247755019	IARFZLJFRDZSQE-MRVPVSSYSA-N	243.112	-0.236	50	10	BBGE	
O=C(N1C[C@@H]2COCC[C@H]21)C1(B(O)O)CCC1	2247757758	RQOAABRGMNTUCE-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@H]1C	2247760550	JXQQKXOXBDPCQI-SCZZXKLOSA-N	233.076	-0.187	50	10	BBGE	
CN[C@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792038	QEICDQRHNJYGNM-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
Cn1cncc1CNC(=O)C1CC(B(O)O)C1	2247805241	JXXBWZSOUKPRKA-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
C[C@@H]1OCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247808566	VIGLYILPQTVQRK-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
CC(C)NC(=O)c1cc(F)c(B(O)O)cc1F	2247841742	LLZBPCIDWKKTEU-UHFFFAOYSA-N	243.018	-0.217	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCCC2)C1=O	2247848800	QNJFOUFBXARIKV-UHFFFAOYSA-N	235.048	-0.679	50	10	BBGE	
O=C(N1CC[C@H](OC(F)F)C1)C1(B(O)O)CC1	2247870781	PRZVEWAHWZAOJO-LURJTMIESA-N	249.022	-0.167	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)C3(B(O)O)CC3)C[C@H]12	2247871511	CJDJASXBUKIILB-XSPKLOCKSA-N	238.096	-0.765	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1[C@H]2CCC[C@@H]1C2	2247872097	MVWVCHLQJDXFHA-DTORHVGOSA-N	235.048	-0.274	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)C1(B(O)O)CCC1	2247877414	AMEACULCOGAQLD-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
O=C(N1CC(CCCO)C1)C1(B(O)O)CCC1	2247878597	OOCJRAGYNOWUIN-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CCC2)CCNC1	2247879060	PUUDRMVPXIUNMI-JTQLQIEISA-N	240.112	-0.501	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@@H]1C(F)F	2247887473	OOROKXNWHGCCKR-DSYKOEDSSA-N	249.022	-0.658	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CCNCC2)C1	2247888120	WHGMGWZOADSGFM-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247888412	ZEEHYMWDHXHIRG-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
CCCN(C)C(=O)c1ncc(C)cc1B(O)O	2247892135	UWRTUFSEOKHXCN-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1C[C@@H]1B(O)O	2247896433	GWDIDETWQXQLAG-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
COc1cc(NC(=O)[C@@H]2C[C@H]2B(O)O)ccn1	2247896928	MBCMBQGWOJKEDC-HTQZYQBOSA-N	236.036	-0.108	50	10	BBGE	
CCO[C@@H]1C=CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900398	WMBQXMJAPJWWNM-BBBLOLIVSA-N	239.080	-0.347	50	10	BBGE	
C[C@@]1(CCO)CCN1C(=O)C1CC(B(O)O)C1	2247902881	IAKWYRDOHNRRSC-AMUVOQDHSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@H]1F	2249419455	HLFRBNDOONPRBA-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1COC2(COC2)C1	2249634904	GRPAFFKGPYPMFI-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
C#CCOC[C@@H](C)Oc1ccc(B(O)O)cn1	2253015221	PEZXYPNKCNEDLF-SECBINFHSA-N	235.048	-0.822	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](n2cccc2)C1	2255466741	DAKYJLKBHRPARG-NSHDSACASA-N	246.075	-0.333	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@@H]2CCC[C@@H]21	2255518843	PLCIXVYXHPQYBM-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
O=C(Nc1ccccc1O)c1n[nH]cc1B(O)O	2255550339	WVJMFQXKWCXLIF-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncccn1	2255773026	JVCFVDIXEAQWAJ-CIUDSAMLSA-N	249.079	-0.093	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@@H]2C[C@H]2C1	2257494271	XYEAWKKQGICROO-IUCAKERBSA-N	246.075	-0.838	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)[C@@H]2CNC[C@H]1C2	2258354830	AEIOPTAYBCTUPC-BZBKMWRSSA-N	248.091	-0.862	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H](O)c1ccccc1	2258956728	ZNNSISBQBCQGIJ-NSHDSACASA-N	247.059	-0.758	50	10	BBGE	
CNC(=O)c1nc(CNC(=O)[C@@H](C)Cl)no1	2296572568	ORKRPUNMGWWHMI-SCSAIBSYSA-N	246.654	-0.327	50	10	BBGE	
O=C(N[C@H]1CC12CCNCC2)[C@H]1C[C@H]1B(O)O	2298368763	WFJHEGFOXGWNIQ-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
COC[C@@]1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369231	NGXRPXCIRLPXSS-YWVKMMECSA-N	241.096	-0.266	50	10	BBGE	
CN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370449	YUEGXMRIQHUUQO-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371055	XMYMQXUNLYTSQV-ZYUZMQFOSA-N	241.096	-0.674	50	10	BBGE	
COc1ccn(CC(C)(C)C(=O)NN)c(=O)c1	2298953817	YKCJGYVTGAFYDG-UHFFFAOYSA-N	239.275	-0.127	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299810851	WLIGWYREGMSYSM-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(B(O)O)c(C)c1	2301604948	IDJGUYUXIBPNGX-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
CO[C@@H]1CC(OC[C@H](C)C(=O)NN)C[C@H]1OC	2301615112	VTCOUUAXZWAGAA-FXBDTBDDSA-N	246.307	-0.179	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2302189458	ZAVXMIMBEYNSHY-OEZYJKACSA-N	239.080	-0.515	50	10	BBGE	
Cn1ccc(C(=O)N2CC[C@@](C)(B(O)O)C2)n1	2303111574	KNFSHBGAZGLSSN-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303837255	XNQAVBUQEUDJIC-RCOVLWMOSA-N	240.043	-0.653	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@@H](C)[C@H]3C2)n1	2312067423	SOSALSOBNAGOAY-SZEHBUNVSA-N	247.107	-0.443	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(B(O)O)cc2C#N)CO1	2317206852	QFSHYPXRJQGPQE-KWQFWETISA-N	247.059	-0.206	50	10	BBGE	
CC(C)NC(=O)CNC(=O)NC(=O)CCCl	36782105	OJIALUBFCIHDCF-UHFFFAOYSA-N	249.698	-0.034	50	10	BBGE	
Cc1cccc(N(C)C(=O)C(=O)NN)c1	49991574	XDUVRKHUNDVWRK-UHFFFAOYSA-N	207.233	-0.052	50	10	BBGE	
CCCN(CCO)[C@@H](C(=O)NN)C(C)C	82469874	WDXKIIZTSRSICA-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CCOC(=O)CNS(=O)(=O)CCl	82512408	NRWPHEQKDKZVGT-UHFFFAOYSA-N	215.658	-0.335	50	10	BBGE	
O[C@@H]1O[C@@H]([C@H](Cl)CCl)[C@H](O)[C@H]1O	108474364	CGPKCWFLSGBABQ-DGPNFKTASA-N	217.048	-0.728	50	10	BBGE	
N[C@H](CCSS(=O)(=O)O)C(=O)O	111469129	IFQXRWHTFQTDOH-GSVOUGTGSA-N	215.252	-0.676	50	10	BBGE	
NNC(=O)Cc1ccccc1Cn1cncn1	123848063	NHZOCGCOLVOYAQ-UHFFFAOYSA-N	231.259	-0.141	50	10	BBGE	
COCCOCCO[C@H](C)C(=O)NN	125981839	NLKODTYGNFSUOY-SSDOTTSWSA-N	206.242	-0.956	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H](C)N1C	127932282	RAMSHAPZAMSJDN-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@H](C(=O)O)O1	149097557	UBBKJWGUYQNTTI-NKWVEPMBSA-N	231.252	-0.606	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@@H]1CC(=O)O	149145242	VESIWGHKHVHYNN-ZETCQYMHSA-N	231.252	-0.652	50	10	BBGE	
CCC[C@H](C(=O)NN)n1cnc(C#N)n1	212116377	AVLSCSBJQHJMPV-ZCFIWIBFSA-N	208.225	-0.519	50	10	BBGE	
NC(=O)CCCCNS(=O)(=O)CCl	230095694	RTZIHWBRUHHNJI-UHFFFAOYSA-N	228.701	-0.242	50	10	BBGE	
Cn1nccc1CCOc1ccc(B(O)O)cc1	230766861	XFLYKZOXZMKJOF-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
NC(=O)NNC(=O)c1cnn2ccccc12	231927409	BPIRUNQQDPKGGL-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H]2CCC[C@@H]21	232419714	UTQNODCNXSOTHE-IVZWLZJFSA-N	243.307	-0.755	50	10	BBGE	
CC[C@H](N)CS[C@H](COC)C(=O)NN	232421721	RLJRUEYXXCXDEH-NKWVEPMBSA-N	221.326	-0.538	50	10	BBGE	
CS(=O)(=O)O[C@H]1COC[C@@H]1Cl	238376622	LVYJUNHEDWAEBF-WHFBIAKZSA-N	200.643	-0.031	50	10	BBGE	
O=c1[nH]cc(-c2cccc(B(O)O)c2)[nH]1	238650084	ZUMSYNLFUPRYMF-UHFFFAOYSA-N	203.994	-0.950	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300309504	NHMOXIQBZGKEGC-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CNC(=O)CSCc1cc(C(=O)NN)no1	300776732	FARFHIUFEWHFSD-UHFFFAOYSA-N	244.276	-0.743	50	10	BBGE	
C[C@H]1CN(C[C@H](O)CCl)S(=O)(=O)C1	306524222	XTPUHHPOLHUKRJ-NKWVEPMBSA-N	227.713	-0.132	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@H](F)[C@H](O)[C@H]1O	307174318	TWUKFHBIOCRRBD-DVKNGEFBSA-N	200.593	-0.998	50	10	BBGE	
C[C@@]1(O)CCC/C(=N/NC(N)=O)[C@H]1O	307668583	KOLJHRKQGBHBCP-OHGZJSFGSA-N	201.226	-0.694	50	10	BBGE	
CN(C)S(=O)(=O)N(C)C[C@@H](Cl)C(=O)O	308576766	HULKKKLHLVSGMF-RXMQYKEDSA-N	244.700	-0.583	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CN)C1	309047857	ODRHBWMZEZPEJY-QXFUBDJGSA-N	214.313	-0.719	50	10	BBGE	
CNC(=O)CC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	382301920	XSOOLZCAEDKLPF-HTQZYQBOSA-N	242.323	-0.931	50	10	BBGE	
CCN(CCOCCO)[C@H](C(=O)NN)C(C)C	383029029	CEKBDEITRYYPNR-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCN(C)C2)C1)C(=O)NN	383896307	MUEJSHZUTSXWIN-ZYHUDNBSSA-N	240.351	-0.360	50	10	BBGE	
CO[C@@H]1CCN(Cc2nc(C(=O)NN)co2)C1	387075205	YNOZFSXFMWSRDL-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CN(C)C(=O)c1ccc(F)c(B(O)O)c1F	390230616	GNJSGKMDPYDVGU-UHFFFAOYSA-N	228.991	-0.654	50	10	BBGE	
CN(CCCO)[C@@H](C(=O)NN)C(C)(C)C	395598863	VEXOXJUWBLIEHM-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
N#Cc1ccc(CCC(=O)O)c(B(O)O)c1	396086388	AQWMRWZXGLSJHD-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
N#Cc1csc2cc(CO)c(B(O)O)cc12	396221743	MUEDKECFLOPERO-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(C=O)c(B(O)O)c2ccsc12	396257457	YHJWIBMWSHRUPF-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1CCOCC1	405062156	QUCXGJIDSSFZIZ-UHFFFAOYSA-N	249.075	-0.269	50	10	BBGE	
C[C@H]1CCCN(CCC(=O)NN)[C@@H]1CO	688736791	LGLDFXVYXIJIPQ-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCOCC(=O)N1CCC(O)(C#N)CC1	692097359	JACLVHAMZQENNK-UHFFFAOYSA-N	212.249	-0.100	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C[C@@H](C)O1	694922338	IFPZFYIHBLCUGL-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)n1cnc(C#N)n1	695046990	BVWAQWVIXDVYFW-ZETCQYMHSA-N	222.252	-0.273	50	10	BBGE	
COC[C@@H](CCl)NCc1nnnn1C	697788497	QCNQNTSMIKXNAS-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cccnn1	701789565	IUURVNQMAWTRPH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CN(Cc1ncnn1C)S(=O)(=O)CCl	707502110	UYFPBWMADQIPGA-UHFFFAOYSA-N	238.700	-0.227	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@H](C(C)C)C1	708954405	YLNDZCTWHUEQJX-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
C#CCCS(=O)(=O)N[C@@H]1COC[C@@H]1Cl	710886087	KKMLDJNHPSFBJM-JGVFFNPUSA-N	237.708	-0.065	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)NC1CC1	746841104	DSFRLWHZWFVJDY-UHFFFAOYSA-N	245.279	-0.468	50	10	BBGE	
CCn1ncc(C(=O)NN=c2cc[nH]cc2)n1	816011318	MBSWQEYVIJISFP-UHFFFAOYSA-N	232.247	-0.128	50	10	BBGE	
COCCCNC(=O)NNC(=O)[C@H](C)CC#N	823810707	RPNDQHCDSXVVJN-MRVPVSSYSA-N	242.279	-0.097	50	10	BBGE	
COC(=O)C[C@@H](CNC(=O)NN)C1CC1	851674795	JTXSKGMYLQWQEJ-ZETCQYMHSA-N	215.253	-0.251	50	10	BBGE	
Cn1cc(C(=O)NN=CC2(C)COC2)nn1	853383237	SVWDSICTOTZVHD-UHFFFAOYSA-N	223.236	-0.433	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@H](C)CO2)n1C	898975039	GJGHFCUTYCIXFP-POYBYMJQSA-N	239.279	-0.008	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)c2ccon2)nn1	1160992016	OZICEPRSTJGNOW-UHFFFAOYSA-N	248.202	-0.680	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H](O)CF	1260939233	PQBYXJNXQIZWCI-BYPYZUCNSA-N	205.638	-0.568	50	10	BBGE	
CCn1nc(C)cc1C(=O)NNC(=O)NC	1318170131	KCHRTBUSVFUJBR-UHFFFAOYSA-N	225.252	-0.215	50	10	BBGE	
CC(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O	1440721871	KJYUDTFBYBKUOC-VIFPVBQESA-N	229.280	-0.296	50	10	BBGE	
CN(NC(=O)c1nnc(C2CC2)o1)C(N)=O	1446328670	CLYZBCNWSNPUDJ-UHFFFAOYSA-N	225.208	-0.398	50	10	BBGE	
N#Cc1ccc(NNC(=O)CCC(N)=O)nc1	1471767952	CGYBKIDWVCONLJ-UHFFFAOYSA-N	233.231	-0.338	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2cccnn2)CCN1	1631347559	ZBZUKIQSNJQOQG-QMMMGPOBSA-N	249.274	-0.164	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)NC1CC(Cl)C1	1884412146	MNAHMFKSDFPYIR-WRVKLSGPSA-N	221.640	-0.028	50	10	BBGE	
OB(O)c1csc(O[C@H]2CC2(F)F)n1	1885986131	GSWNMTPUJQOBBK-VKHMYHEASA-N	220.993	-0.391	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)NN(C)C	1886908677	OQKDQWCGTDXVAA-ZCFIWIBFSA-N	203.242	-0.032	50	10	BBGE	
CN1CCN(C(=O)F)[C@H](C(=N)NO)C1	1887186233	KJMGLPYDQJAURQ-YFKPBYRVSA-N	204.205	-0.352	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1CCN1C	1888042794	KTAXESKKKNPTGT-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](NC[C@H]1C[C@@H]1Cl)C(=O)NC(N)=O	1893109011	WGRLZISZOUNQFM-JKUQZMGJSA-N	219.672	-0.213	50	10	BBGE	
O=C(CC1(O)CNC1)NC[C@H]1C[C@H]1Cl	1893127167	GGWXSKRURPTJJQ-RNFRBKRXSA-N	218.684	-0.546	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1894285511	QLQSFNKDIFMFEJ-GRDBIXFFSA-N	225.292	-0.669	50	10	BBGE	
C=C(CN=[S@@](C)(=O)CCOC)B(O)O	1895191641	RDFYBPJLJOQJCA-AWEZNQCLSA-N	221.087	-0.701	50	10	BBGE	
CN1CC[C@@H]1COCc1cscc1B(O)O	1899515017	FMPHHFXTODKELK-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
Cc1cnc(SCC(C)(C)O)cc1B(O)O	1900198714	MFZHQBNSEMRBTO-UHFFFAOYSA-N	241.121	-0.067	50	10	BBGE	
COCCN(C)CCC[C@H]1C[C@@H]1C(=O)NN	1900505315	DZJLRTJSAXNXBI-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H](F)C1=O	1901638168	VBCQWQYKEGLLSE-BWZBUEFSSA-N	229.255	-0.427	50	10	BBGE	
CN(C)C(=O)CCN1CC[C@@](C)(B(O)O)C1	1902528523	IHUZCHNQTGZWBX-SNVBAGLBSA-N	228.101	-0.597	50	10	BBGE	
C=C[C@@H](C)N(C)c1cc(B(O)O)c(F)cn1	1903005910	MMPOGUGTVHYIII-SSDOTTSWSA-N	224.044	-0.089	50	10	BBGE	
CS[C@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	1905408591	GSTBNXHWDINKDJ-IUCAKERBSA-N	245.348	-0.021	50	10	BBGE	
CN(CC(=O)NN)S(=O)(=O)C(C)(C)C	1913443591	JPUJJEMHJIHKDG-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	1914255790	MVZTVKSUMZYOMG-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CSC2	1914570174	KOOOFEARCIYBEE-FXQIFTODSA-N	215.322	-0.055	50	10	BBGE	
COC1CC(N(C)[C@H](C)CC(=O)NN)C1	1914813856	LDYVJTIUKFCVJC-AFPNSQJFSA-N	215.297	-0.136	50	10	BBGE	
O=C(CCCl)N1CCOC[C@@H]1[C@@H](O)CO	1928573817	OLRZFCBPWUJDKS-SFYZADRCSA-N	237.683	-0.804	50	10	BBGE	
CC1(C)CCN(C(=O)NN)C[C@H]1CO	1929513067	DTZVYKUPUMDROD-ZETCQYMHSA-N	201.270	-0.090	50	10	BBGE	
CC(C)[C@@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930890247	ONQIZWMCXZPJIG-WCBMZHEXSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)CCCl	1932514013	RTQWUSSRLWZKIS-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCCC1(F)F	1935841153	YQDOCQLPLUVTGZ-LURJTMIESA-N	235.234	-0.082	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936089171	APGKXBZMJODNGG-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)COCCN1CCCC(F)(F)C1	1936529186	KHQOUFMDAPLARG-UHFFFAOYSA-N	237.250	-0.276	50	10	BBGE	
NNC(=O)c1cccc(CN2CCCO2)n1	1937124335	OLCSHEFNQNRVTR-UHFFFAOYSA-N	222.248	-0.178	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@H](CO)C2	1939967004	JEBIUMCDXWREMY-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@@H]21	1940728641	XDLKBEMVAAPELM-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2OCC[C@H]2C1	1941093890	JIRWXUGPBGIDJD-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
CCn1cc([N+](=O)[O-])cc1C(=O)NNCCO	1944216752	ZTQRXHGBQBBVLE-UHFFFAOYSA-N	242.235	-0.357	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@]12CC[C@@H]1C2	1951286191	ZEXCKNUBXORFIR-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
CC1CC(CO)(N(C)CC(=O)NN)C1	1956212864	DUZUVMDEWHRRDL-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CC1(C)CO[C@H](CO)CN1C(=O)NN	1956471147	YSLXXEYQWZZRQE-LURJTMIESA-N	203.242	-0.959	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1N1CC(=O)OC(=O)C1	1957890646	AVYMZRMONJSNLP-SFYZADRCSA-N	212.249	-0.536	50	10	BBGE	
CCSC[C@@H](NC(=O)NN(C)C)C(=O)O	1957913279	ADOLNCRUXLIVCP-ZCFIWIBFSA-N	235.309	-0.032	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)CCC(=O)NN)CO1	1958051978	RHTVZMBQGICSKV-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COC1(CF)CN([C@H](C)CC(=O)NN)C1	1961043316	QGDLBSQREWHHQB-SSDOTTSWSA-N	219.260	-0.575	50	10	BBGE	
COCCCOc1ncccc1B(O)O	1961712575	MXBRTYKXCIGGDP-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
NC(=O)C(Nc1ncccc1CCl)C(N)=O	1975624231	DBOWCQSVQVKZHF-UHFFFAOYSA-N	242.666	-0.429	50	10	BBGE	
CN(C)NC(=O)N1C[C@]2(C)C[C@]2(C(=O)O)C1	1978992094	YODPJQOLKWUPRB-VHSXEESVSA-N	227.264	-0.031	50	10	BBGE	
COC1(CF)CN([C@H](C(=O)NN)C(C)C)C1	1980378606	WJKPIZMZVVFCAY-QMMMGPOBSA-N	233.287	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@](=O)C(C)(C)C1	1980949240	FWPNORZRFLIGNF-BCTVWOGZSA-N	247.364	-0.402	50	10	BBGE	
COC[C@@H](O[C@H]1COC(C)(C)C1)C(=O)NN	1981310490	DNVOGNFUWCXYBB-HTQZYQBOSA-N	232.280	-0.425	50	10	BBGE	
CC1(CCn2cc(B(O)O)ccc2=O)CC1	1984628182	SOSVSXXMGCVDCR-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CC[C@H](C1)C2(F)F	1986122313	FTANDLDKZNGIKL-OLQVQODUSA-N	233.218	-0.520	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C12CC2	1988761429	NFTSDTOAWQQKNZ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CO[C@H](C)C1	1990774522	KCZXZOCBZYWPKO-APPZFPTMSA-N	229.280	-0.737	50	10	BBGE	
NN=c1ccc(C(=O)NC[C@@H]2C[C@@H]2Cl)n[nH]1	1991431459	DWDIAVIHPAEQMP-WDSKDSINSA-N	241.682	-0.459	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C)C[C@@H]1C)B(O)O	1992147128	ZJJDHHMNGRZQQB-GXSJLCMTSA-N	226.129	-0.173	50	10	BBGE	
CC1(C)CC(C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998130406	JKTMHFQLHTVOPE-ZETCQYMHSA-N	243.068	-0.535	50	10	BBGE	
CC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CC(F)C1	1998137940	QQBZUKYUIRWOKN-KJXBMWQCSA-N	247.031	-0.833	50	10	BBGE	
N#CCCN(CCC#N)CC(F)(F)C(=O)NN	2003736203	LOGNKULKIOHWSD-UHFFFAOYSA-N	245.233	-0.259	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CCC[C@@H]2C1=O	2004109609	UBSQCGJPPCNIOK-DOLQZWNJSA-N	237.303	-0.129	50	10	BBGE	
Cc1nc(O[C@H]2COC[C@@H]2C)ccc1B(O)O	2004925469	QSAFXQOHTQVAEE-XVKPBYJWSA-N	237.064	-0.516	50	10	BBGE	
NNC(=O)CCN1C[C@H](CO)C2(CCCC2)C1	2006546247	BVXSTMQVFCOVCG-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](F)[C@@H](CO)C1	2008030927	KTGPBPXIBIVFEO-VGMNWLOBSA-N	247.314	-0.347	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008976176	ZSHLCBVITMVDHV-NAKRPEOUSA-N	241.335	-0.154	50	10	BBGE	
CCOCCOCCOCC1(C(=O)NN)CC1	2010595293	UTFLYCHJFOXALB-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
COC[C@@H](C)CCn1nc(C)c(B(O)O)c1C	2014204349	OGLWQRMNRGMOQH-QMMMGPOBSA-N	240.112	-0.148	50	10	BBGE	
O=C1CN([C@@H]2CCCn3ncnc32)CC(=O)O1	2019172940	UYJDJNPETRTCGE-SSDOTTSWSA-N	236.231	-0.502	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCN(C)C1	2019207980	GKJZZRKELLMBPP-SNVBAGLBSA-N	242.323	-0.963	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@@H](C)O1	2019216009	YRRGBRKPKIIZAO-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1	2020032899	LUQMCCJXSMVVTG-SECBINFHSA-N	231.060	-0.036	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2COC[C@@H]21	2021417197	FKWJVXMEKFVAIY-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
C[C@]1(CO)COCCN(CCCC(=O)NN)C1	2022238865	QCDCIXTYINSBSB-NSHDSACASA-N	245.323	-0.913	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2024085901	IZSMIWYMWYWRJI-VPOLOUISSA-N	241.335	-0.296	50	10	BBGE	
CN(C(=O)Nc1cccc(B(O)O)n1)C1CCC1	2029211184	VWGKEBUBTSDWKS-UHFFFAOYSA-N	249.079	-0.222	50	10	BBGE	
OB(O)c1cnc(N2CCc3ccccc32)nc1	2052469650	TVQKIYJBSXIHIN-UHFFFAOYSA-N	241.059	-0.149	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)CC2COC2)c1	2056494456	UOZOAGCWODQUIY-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
Cn1cc(OCc2ccc(C(=O)NN)nc2)cn1	2056638101	UDJUAFJKDIQQNK-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2c1ccncc1B(O)O	2058058933	GPHVTFIHTYTDSM-KPXOXKRLSA-N	248.091	-0.625	50	10	BBGE	
COc1cc(C=O)c(C#N)c(B(O)O)c1	2060192718	CWYOJLREEYDIPR-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@@H]2CCC[C@H]21	2068482704	LAWVHMRYWKDPQJ-IQJOONFLSA-N	247.107	-0.219	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)ncn1	2076086229	YVTCVYPFHYQUNZ-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
CON(C)CCNC(=O)C=CC(=O)Cl	2209505396	OHMRYXMTCVILCA-UHFFFAOYSA-N	220.656	-0.083	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H](F)[C@H](F)C1	2211827967	QTYNNXRDMUEONV-XSPKLOCKSA-N	233.262	-0.006	50	10	BBGE	
NNC(=O)C1(CN2CCCC2)CCOCC1	2212448370	MXEBMQCFQBBWTO-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
Cn1cc(Sc2cc(B(O)O)ccn2)cn1	2212600265	UPJALKUHXKRVHW-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
CCC[C@@H](CN)Nc1cc(B(O)O)ccn1	2212610589	LJGBWRNIYQGLGN-VIFPVBQESA-N	223.085	-0.699	50	10	BBGE	
CSCCCCN=c1ccc(B(O)O)c[nH]1	2212612977	QMGNGLTVUUDONB-UHFFFAOYSA-N	240.137	-0.262	50	10	BBGE	
Cc1nn(C)c(CN(C)CC(=O)NN)c1Cl	2212721583	SOGKXBIUWWVWDR-UHFFFAOYSA-N	245.714	-0.196	50	10	BBGE	
CN1CC[C@H](COc2ncccc2B(O)O)C1	2215652122	RULCPFAXYRDNGY-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
CC1(CO)CN(CC2(C(=O)NN)CCCC2)C1	2216880983	BSKRFJGKJSCXEX-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
CC(C)C[C@@H](CN)Nc1ccc(B(O)O)cn1	2217174198	XFMYAGHXENOVBO-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
OCCCC1(Nc2ncccc2B(O)O)CC1	2217203542	WOCOXPDUROVYPZ-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1(O)CCC1	2220072055	MWKFBSHMDSHEOS-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC3(CC3)C2)[nH]c1	2223625789	FUOXPABEHCMOON-SECBINFHSA-N	247.107	-0.430	50	10	BBGE	
C[C@]12CNC[C@@]1(COc1ncccc1B(O)O)C2	2223627483	QYOSLMKGIUEIJH-NWDGAFQWSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(NCc2ccncc2)c1F	2223651296	BMQZSTLTXGAIJW-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c1F	2223651514	XNTUIMBUNXHSEZ-QHOPCYEYSA-N	248.066	-0.255	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@@H](O)C1)N1CC(Cl)C1	2241353248	FEMVTSWGFMMEQQ-KNVOCYPGSA-N	240.712	-0.733	50	10	BBGE	
Cc1csc([C@H](C)NC(=O)C#CB(O)O)n1	2243349632	OCJGJYQYEIHBQE-ZETCQYMHSA-N	238.077	-0.356	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)CCN1	2243365212	JIWMZGUTGSTYQW-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381234	DNMPUBWROXWWGJ-JBDRJPRFSA-N	226.085	-0.765	50	10	BBGE	
O=C(Nc1nccs1)c1ccc(B(O)O)o1	2243400949	KBXADXPWGYYFAF-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)C#CB(O)O)CC1	2243401023	LDLCLMXOVNQFER-SECBINFHSA-N	220.037	-0.846	50	10	BBGE	
C=C(CS(=O)(=O)NCC1(CC)CC1)B(O)O	2243412524	OMIWGOJTCYXMCA-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)N(C)O)c1	2243413559	IYSDQBDJKUCFQL-UHFFFAOYSA-N	227.000	-0.725	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C2CC2)CC1)B(O)O	2243419957	JSCOGDOEGXQMQD-UHFFFAOYSA-N	245.109	-0.583	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H](CC)C1)B(O)O	2243432910	FUUDZRFRGPYTIW-VIFPVBQESA-N	247.125	-0.384	50	10	BBGE	
O=C(NCC#CB(O)O)C(F)(F)C(F)(F)F	2243684675	FEHWIYLSAJMOLP-UHFFFAOYSA-N	244.912	-0.684	50	10	BBGE	
CC[C@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2243752282	HKTFHDACIUTDDP-QMMMGPOBSA-N	229.041	-0.637	50	10	BBGE	
O=C(NCC=C(F)F)c1sccc1B(O)O	2243769285	PWUXUIPHNNAFAB-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
COC[C@@]1(C)C[C@H]1Cn1ccc(B(O)O)n1	2243826289	VHHKHTLJUXIIOF-WCBMZHEXSA-N	224.069	-0.765	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247747396	MYQHKADHMVZEEM-DTWKUNHWSA-N	236.080	-0.531	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)C1(B(O)O)CC1	2247749828	AFFJMQSKDNTGED-BRPSZJMVSA-N	238.096	-0.607	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CCN	2247751351	WOPSYLLWGIOEDG-DTWKUNHWSA-N	240.112	-0.563	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCOC2)C1(B(O)O)CCC1	2247751635	ZTEBLFWKTWHXHK-PSASIEDQSA-N	239.080	-0.321	50	10	BBGE	
CN(C)CC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247797193	GXHRQHDYWRXCQE-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]1c1ncon1	2247799368	CKLPMGIEJSCEBZ-DSYKOEDSSA-N	237.024	-0.794	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCC1	2247807466	RFMZKWQRXXUDND-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)nn1	2247807782	JCWNNWIACGWZCL-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H](C)CN1	2247808162	SUKGTXFQRJDZKR-JXUBOQSCSA-N	240.112	-0.552	50	10	BBGE	
CC(C)OC1CCN(C(=O)C#CB(O)O)CC1	2247849268	XYYWXRUMWBGKPF-UHFFFAOYSA-N	239.080	-0.582	50	10	BBGE	
O=C(NCC1(O)CCCC1)C1CC(B(O)O)C1	2247855055	MTPLYACMWVSTMY-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](OC(F)F)C1	2247855750	XRPATQGLNWOVDM-FSDSQADBSA-N	249.022	-0.311	50	10	BBGE	
O=C(NC1(CCF)CC1)c1occc1B(O)O	2247856463	KICBBMQHQMHUAZ-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858586	FWQWQICCNZADOD-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
C#CCN(CC#C)C(=O)c1ccsc1B(O)O	2247870596	MQMAFAMWSFAKGV-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1occc1B(O)O	2247879592	VZROCUVKIUFJLP-YFKPBYRVSA-N	244.990	-0.656	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H](C1)OC2)C1(B(O)O)CC1	2247880231	YEMRPFOEYGAVMX-WPRPVWTQSA-N	239.080	-0.179	50	10	BBGE	
O=C(NC1CC2(CCOC2)C1)[C@H]1C[C@@H]1B(O)O	2247887709	RBOZVOFMEVBBKE-QMFGVRBNSA-N	239.080	-0.465	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895685	VAJMYJDFSCEOHA-OPRDCNLKSA-N	240.112	-0.421	50	10	BBGE	
O=C(NCCCF)Nc1ccccc1B(O)O	2247977708	QOGVRABFDFIQFT-UHFFFAOYSA-N	240.043	-0.153	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(B(O)O)cc1F	2248444009	UYCDGOYPGPQGHJ-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1Nc1ncccc1B(O)O	2248681526	ZXTZJGDRRQVHGE-GXSJLCMTSA-N	236.080	-0.402	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2248708613	ROUQHRBZIKEIFP-GXSJLCMTSA-N	236.080	-0.402	50	10	BBGE	
Cc1cc(CNC(=O)C(C)C)ccc1B(O)O	2251313465	SKLQSNOZDTUXAP-UHFFFAOYSA-N	235.092	-0.053	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CO)Cc1ccccc1	2253323139	FNKXDPKOOFBWLN-LLVKDONJSA-N	237.303	-0.488	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2cc(B(O)O)c[nH]2)C1	2255464383	VWIKPPZXJAFMPV-UHFFFAOYSA-N	248.091	-0.267	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ncncc1B(O)O	2255502000	OWQJYXGJVUJOBI-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1ccc(B(O)O)cn1	2255517516	CSPLCQJLWFBNDH-SNVBAGLBSA-N	246.075	-0.400	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255550374	WZVPTRLXQIWWKT-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CCO)c1ccccc1	2255571269	NTKCKYICUJZLMS-GHMZBOCLSA-N	249.075	-0.125	50	10	BBGE	
NCc1ccccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2255572494	YZCNBAPQGVVIMA-QWRGUYRKSA-N	248.091	-0.376	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)C1CC(B(O)O)C1	2255579471	RUMIZDFBWFZZEE-LALVEGQDSA-N	247.103	-0.134	50	10	BBGE	
Cc1cc(NC(=O)c2cncc(B(O)O)c2)on1	2255714411	PSFVZPIJJMAODD-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1ccoc1B(O)O	2255715424	FMDQLOKBTQSGCC-WCBMZHEXSA-N	249.075	-0.265	50	10	BBGE	
C#CC1(NC(=O)c2coc(B(O)O)c2)CC(C)C1	2259906456	HVHAEVKGLDUVBB-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
O=C(NCC[C@H]1CCO1)c1cccc(B(O)O)c1	2263968251	LQNIRBCWFHWIBB-NSHDSACASA-N	249.075	-0.725	50	10	BBGE	
NC[C@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369148	KWYYUNHVNUAXMV-BBBLOLIVSA-N	240.112	-0.563	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@H]1O	2298371710	SMJKCHCUORXHLD-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298376655	HMFLZLDDPKXEJZ-FHNUBNKASA-N	238.096	-0.894	50	10	BBGE	
C[C@]1(CO)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300385664	XDXNHYWXBBGWCF-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCO1	2302410913	PVZCEYPVBCXEBE-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
O=C(CN1CC[C@@H](B(O)O)C1)NC1CCCC1	2303152060	VPQRHWPOKOCVOC-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC[C@](C)(CN1CCO[C@@H](CO)C1)C(=O)NN	2303420234	RKMVAHWJMGNDSC-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2[C@@H](O)C[C@H]21)C(=O)NN	2303424304	QFTDEKDOCHKWEG-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)C1(B(O)O)CCC1	2306885830	CJEKSBYINUKBSX-VIFPVBQESA-N	242.128	-0.208	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12	2312856614	DRJORRUNUNKYRA-OFKSJOQMSA-N	249.075	-0.974	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNCCCO	2318455568	WOYXGKKSDWBRRY-UHFFFAOYSA-N	211.265	-0.110	50	10	BBGE	
CC[C@@H]1C[C@@H]1CC(=O)Nc1ncc(B(O)O)cn1	2320396500	INISMAPLHYRIKG-HTQZYQBOSA-N	249.079	-0.469	50	10	BBGE	
C[C@H](Cl)C(=O)NCCS(C)(=O)=O	37739829	XRZVZQJPGRRQSX-YFKPBYRVSA-N	213.686	-0.226	50	10	BBGE	
CCN(CCO)[C@@H](C)CCC(=O)NN	82468834	PSMQNFXPZSIZAZ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
Cc1nc2nc[nH]n2c(=O)c1NC(=O)CCl	103772290	BAGHHTQHRSWXPB-UHFFFAOYSA-N	241.638	-0.097	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1c[nH]nn1	104643798	UJLCBFVSGSAQDP-WHFBIAKZSA-N	209.209	-0.778	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](C(N)=O)C1	110568774	POZRNAIGYFRKBO-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
C[C@@]1(CN2CC(=O)OC(=O)C2)CCCO1	123292806	GUOFCXQICPIRSU-JTQLQIEISA-N	213.233	-0.059	50	10	BBGE	
C[C@@H]1COCCN1Cc1ccc(B(O)O)cc1	199009651	ARUGSGOOCLOHTB-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
COC(=O)[C@@H](OC)/C(C=O)=C/CC(=O)O	215705494	MEIGARGKFTVWHZ-HFSLJOEWSA-N	216.189	-0.226	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1c1nnc(CCl)o1	235367197	RKZDFGMHKBYLDK-BYPYZUCNSA-N	244.638	-0.340	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@H]1C(N)=O	252599661	KZIHNXQIVAZDBL-CIUDSAMLSA-N	242.323	-0.659	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@H]1O	252915124	AJAZSPSEUWTDCB-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
COC(=O)N1C[C@@H]2C(=O)OC(=O)[C@@H]2[C@H]1C	253486361	WNDOKIJVJFYFNY-NGJCXOISSA-N	213.189	-0.227	50	10	BBGE	
C=CCCCC(=O)NNC(=O)[C@@H]1COCCO1	267259413	SXCOIYYELOHIDU-VIFPVBQESA-N	242.275	-0.095	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)[C@H]1COCCO1	293485850	UDSLHQPXVHKQMY-RXMQYKEDSA-N	238.190	-0.796	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cnn(CC)n1	293573085	VWBFICSXXVOWHY-UHFFFAOYSA-N	240.267	-0.396	50	10	BBGE	
O=CNNC(=O)c1ncncc1Cl	306364744	CZFWQCDVYRHPJX-UHFFFAOYSA-N	200.585	-0.479	50	10	BBGE	
CCOC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	383035954	GLUNLXGZBZTLGN-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1CN(Cc2nc(C(=O)NN)co2)C[C@H]1O	388392356	SHIRAKBCJLWDMR-HTRCEHHLSA-N	240.263	-0.909	50	10	BBGE	
Nc1cc2c(C=O)c(B(O)O)ccc2s1	396253039	JDRWIXBKNDYUKC-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)CC(=O)O	397726540	NNBAGVCHZVCEQD-YFKPBYRVSA-N	238.334	-0.084	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)S2	403599454	CUXCPBROAHGIMF-DGUCWDHESA-N	229.305	-0.481	50	10	BBGE	
N#CCC1CN(C(=O)c2cccc(B(O)O)c2)C1	585007269	WDNUKUIJBOEUNO-UHFFFAOYSA-N	244.059	-0.648	50	10	BBGE	
CN(CCCF)CC(F)(F)C(=O)NN	685955514	GQSGGHXTKLIESV-UHFFFAOYSA-N	213.203	-0.097	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(CC)C1	689046463	DYAJAKLIOKWFIW-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@@H](C)CC(=O)NN	689809351	GCLHUGGDEHXQDN-WPRPVWTQSA-N	233.312	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	690724375	RWIKJWDRXQJADU-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1NC[C@@H]1COCCO1	690764750	KMOXIODMENJBJY-HLTSFMKQSA-N	221.684	-0.002	50	10	BBGE	
Cc1nnc(CN(C)C[C@@H](C)C(=O)NN)s1	697799580	PFWMPXNIRJTXHB-ZCFIWIBFSA-N	243.336	-0.096	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CCNC1=O	698928456	KVKHENRXXLBIGF-RITPCOANSA-N	204.657	-0.134	50	10	BBGE	
CN(Cc1cncc(Cl)c1)C(=O)C(=O)NN	703044443	OODZYJPWAMBMFJ-UHFFFAOYSA-N	242.666	-0.317	50	10	BBGE	
CC[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703445433	WVRICUXXGAZQQF-FXQIFTODSA-N	213.233	-0.326	50	10	BBGE	
COC[C@@](C)(CCl)NCc1nnnn1C	716931971	YRFMUDQWRFEFCR-MRVPVSSYSA-N	233.703	-0.056	50	10	BBGE	
Cc1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1B(O)O	718266814	INIBJYZHJVZMDF-RYUDHWBXSA-N	247.103	-0.352	50	10	BBGE	
CN1CCC[C@@H]2[C@@H]1CCN2CCC(=O)NN	720448688	YEGBUKUYZZFLSC-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C	723698250	WZIAOGQSMUDKLU-ZRUFSTJUSA-N	240.351	-0.221	50	10	BBGE	
O=C(NNC(=O)c1nc[nH]n1)c1ccccn1	772705354	CVKQRFIQZJXNPB-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	858369452	VIKLTFFCIWHJNF-CIUDSAMLSA-N	239.275	-0.094	50	10	BBGE	
CN(NC(=O)[C@H]1COC(=O)N1)c1ccccn1	862748583	RZENOMCJJJTROZ-SSDOTTSWSA-N	236.231	-0.343	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@H]1CCC(=O)O1	868590641	RVHSTUUBNKGIAI-SSDOTTSWSA-N	226.232	-0.361	50	10	BBGE	
CS(=O)(=O)/N=C(/CCl)N1CCOCC1	1084596653	ZKPUKGVINFJZTC-CLFYSBASSA-N	240.712	-0.085	50	10	BBGE	
CN(NC(=O)c1ccnc2c1CC(=O)N2)C(N)=O	1137625100	DKVRRUMULNTXDA-UHFFFAOYSA-N	249.230	-0.769	50	10	BBGE	
NC(=O)C[C@H]1CN(C(=O)CCl)CCO1	1261845926	SFPOYVRCVCZYBN-LURJTMIESA-N	220.656	-0.672	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1cccnn1	1288360771	YQGGYWLDKAEBPX-UHFFFAOYSA-N	233.231	-0.213	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(C#N)n1C	1464421389	AGLBVQHWHKTUAY-UHFFFAOYSA-N	221.220	-0.529	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1ccnnc1	1469119832	DMTULHHXTRCYGG-UFUPEUMYSA-N	236.231	-0.825	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1ncon1	1472179192	OLORRDNHNFRTPF-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CCN1C[C@@H](C(=O)NNc2ccncn2)CC1=O	1556681813	YQPFTNWEZFEDCG-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNc1ccncn1	1569313997	UWFNIIPHBUEVFH-SSDOTTSWSA-N	236.231	-0.127	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CCCOCC1	1641599634	ZXHNXLPKTPBAPT-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
CC(C)/C=N\NC(=O)CN1CCN(C)CC1	1865762526	MHVVDEGNFWMBOK-WQLSENKSSA-N	226.324	-0.008	50	10	BBGE	
NC(=O)C1(OC[C@@H]2C[C@@H]2Br)CNC1	1877437767	TXNHWLSVJSDEOS-WDSKDSINSA-N	249.108	-0.386	50	10	BBGE	
N=C(N)NC(=N)NC1CC(Br)C1	1880965358	XCHTXDFRQPCLIA-UHFFFAOYSA-N	234.101	-0.080	50	10	BBGE	
COC[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883549762	CGGTVXFJGUZZDE-XVMARJQXSA-N	206.673	-0.296	50	10	BBGE	
C=C(CN(C)[C@H]1CCSC1)B(O)O	1883732429	FFNVUCWFCNDYNZ-QMMMGPOBSA-N	201.100	-0.008	50	10	BBGE	
CN1CC[C@@H]1COC[C@@H]1CC[C@H]1C(=O)NN	1899507568	ANYKLTBWJPGSNH-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]12C[C@H](N)[C@@H]1C2	1901340659	IHSBAWRCXYBCBK-ACLDMZEESA-N	247.320	-0.964	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C[C@H]1CCO1	1901983779	OCTDGKAMILRZFX-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@@H]3C2)ccc1B(O)O	1907078952	DBDYXKNXXVVILC-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911288070	JJLWCFVZKVSYNH-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
C[C@H](CN1CC2(CCOCC2)C1)C(=O)NN	1915590710	RPLHIGOGDKGQHX-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CN)S(=O)(=O)N1CC=C(C#N)CC1	1917092269	SZCQISQKNYNXHA-MRVPVSSYSA-N	229.305	-0.181	50	10	BBGE	
COC(=O)[C@@H](C)C(=O)NNC(=O)C(F)(F)F	1923405552	VDVYQCIDGWOYGN-VKHMYHEASA-N	242.153	-0.495	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)CC2(CC2)C1	1926419340	FXAJHNUQUFFOFP-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@@H]21	1928179586	RKNIVKYKGHYYTB-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC(C)C1	1928280542	FNEUEDPYNFMZOL-HACHORDNSA-N	215.297	-0.278	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOC1(C)C	1933166557	MTRLPVOZIINJTF-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1[C@H](C)CC(=O)NN	1934980029	CUUARJFILCBAOI-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c1	1936083047	QANGMPWVCJJNEV-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CC(C)[C@@H]1CCN(CCOCC(=O)NN)C1	1936535227	MZNAWTCOWCJZHO-SNVBAGLBSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](C(=O)N1CCC(O)(C#N)CC1)N(C)C	1938396311	HHCQYRLNYOTPDK-VIFPVBQESA-N	225.292	-0.186	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@]12CCOC2	1939729640	YNVUAIOSFZYBQP-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCO[C@H]1CCOC1	1941086654	SUZMKGHGAYJYKP-LPEHRKFASA-N	244.291	-0.566	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1941088992	SRWOCNYPEYVVJO-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(CCOCC(=O)NN)C1	1941772998	QJPMCEUIVWOOKU-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CCCO[C@H]1CCN(CCOCC(=O)NN)C1	1941773069	RTKACPFACZDJNM-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1945548533	GNKOYQSZPPZYDZ-SCVCMEIPSA-N	241.335	-0.295	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccc(-n2cncn2)nc1	1953071682	SBYIRDWSNWKSIT-SCZZXKLOSA-N	230.231	-0.453	50	10	BBGE	
Cn1nc(Br)c(C=NNC(N)=O)n1	1953872490	JVCSSRHGZOUFBT-UHFFFAOYSA-N	247.056	-0.420	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)C(=O)C1	1954037095	OTKSQYDPEZESQH-ZETCQYMHSA-N	206.673	-0.640	50	10	BBGE	
CC[C@@H](O)CN(CC(=O)NN)C1CC1	1956057710	FRWXNYYFJHIQKB-MRVPVSSYSA-N	201.270	-0.788	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H]2C[C@@H]2CCl)n1	1962190686	KINRTCFURQFQJZ-PHDIDXHHSA-N	229.671	-0.185	50	10	BBGE	
C[C@@H](COCC(C)(C)C(=O)NN)N(C)C	1974648504	RSAMAOICBPYNOM-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CCC1	1977120476	SDADEBNLYXMHJU-UHFFFAOYSA-N	220.037	-0.396	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC=C[C@@H](O)C1	1978920141	QLNKMFBRWUGTBS-NXEZZACHSA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccc(O)cc1=O	1982432121	ARJCVPLHOFTUOJ-UHFFFAOYSA-N	233.174	-0.821	50	10	BBGE	
CCOCCOCCO[C@@H](CC)C(=O)NN	1985223842	VHLFHISQWJDUMJ-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
C[C@H]1C[C@]1(C)Cn1cccc(B(O)O)c1=O	1988992462	BEIZQWFTORQPPX-GZMMTYOYSA-N	221.065	-0.426	50	10	BBGE	
CO[C@H]1CC[C@H]1CC(=O)NCC=CB(O)O	1991332404	QWRDGQNLGKBMJA-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1991679675	LYOSXMKJOLEUKZ-VJILJNLWSA-N	245.706	-0.186	50	10	BBGE	
O=C1CN(CC2CC(Cl)C2)[C@@H](C(=O)O)CN1	1991698643	RIQSCBBUTSYZDE-KAVNDROISA-N	246.694	-0.111	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc(O)c1	1992145730	NZEJWXZKRYAUFG-UHFFFAOYSA-N	219.005	-0.863	50	10	BBGE	
CC(C)(CN1C[C@H](O)C12CCC2)C(=O)NN	1993529411	UXERKUKMXDIWIQ-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CN(C)C1(CCO)CCC1)C(=O)NN	1994892683	LTJWBDVYPXIDFW-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCC(O)CC1	1997607465	CEEOZHHFDYYUJG-UHFFFAOYSA-N	243.307	-0.611	50	10	BBGE	
CC(C)(CN1CC[C@H]1c1ncon1)C(=O)NN	1997768175	WLDSVOCKCACODO-ZETCQYMHSA-N	239.279	-0.168	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CCCCC(=O)NN	1997865314	BZVKUKLKVOVDLF-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999849078	XIPUSTRWFFPRBG-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CO[C@@H](CN2CCC(O)(C#N)CC2)CN1	2002297212	PEXYOSWWMAEGPK-GHMZBOCLSA-N	239.319	-0.286	50	10	BBGE	
CC(C)(CN1C[C@H]2OCC[C@@H]2C1=O)C(=O)NN	2004648939	FBWIXHLFQLVACK-JGVFFNPUSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ncc(B(O)O)cc1F	2004933501	ILLDJDCLNAJHDD-MUWHJKNJSA-N	241.027	-0.686	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@@H](C)COC	2004936139	VMNYEPNSHHFKPG-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@H]3C2)c1B(O)O	2004974528	LOFJODGLAFHHRL-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](F)[C@@H](F)C1	2005013964	DQUPBTCDSTWTOL-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)NC(=O)C1(C)C	2013376002	NNQUCSLRULTYCY-JGVFFNPUSA-N	242.323	-0.646	50	10	BBGE	
C[C@@H]1[C@H](N(C)[C@H](C)C(=O)NN)C2CCN1CC2	2017625910	ZYRVEKRKOCGDIJ-KKZNHRDASA-N	240.351	-0.221	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1[C@H]2COC[C@H]21	2020067079	CRMVPLXRORRQMW-MBLNEYKQSA-N	237.064	-0.904	50	10	BBGE	
NNC(=O)c1ccoc1CN1[C@@H]2COC[C@H]1C2	2021403978	IAACUVHPEPYDSO-OCAPTIKFSA-N	237.259	-0.144	50	10	BBGE	
Cc1ncc2c(n1)CN(CCCC(=O)NN)C2	2025609245	XTFINGZXIZQQGJ-UHFFFAOYSA-N	235.291	-0.129	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@@H]1C(N)=O	2028919775	HSCOGMWVMAORFL-SNVBAGLBSA-N	248.286	-0.650	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)Cc1cocn1	2042253040	OFZIMGKPBUJQOE-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
COc1c(C#N)cc(Cl)cc1B(O)O	2060105991	OUPZYSLCEAZXNU-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1ccc(B(O)O)c(OC)c1F	2060113633	QBNWUEQOQCKSPX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2c1ncccc1B(O)O	2067370684	UXJCKJGMWHDLPG-UWVGGRQHSA-N	247.107	-0.956	50	10	BBGE	
NNC(=O)C(=O)N[C@]1(C2CC2)CCCOC1	2212245059	KQDUNCVGCMPZBX-SNVBAGLBSA-N	227.264	-0.948	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@@]3(F)C2)n1	2212307052	YTMZCOBMMBVYRL-HZGVNTEJSA-N	242.084	-0.239	50	10	BBGE	
OB(O)c1ccnc(SC[C@H]2CCNC2)c1	2212599734	MZVNQRABVGOUCA-QMMMGPOBSA-N	238.121	-0.537	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)C1CC1	2212603748	QWVAFTFKVFCOEM-SSDOTTSWSA-N	221.069	-0.964	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCCC2=O)CCC1	2216493849	NKZCFBAWCKLMHC-UHFFFAOYSA-N	239.275	-0.314	50	10	BBGE	
C[C@]1(N)CCC[C@H]1Oc1ccc(B(O)O)cn1	2217196538	SFQWMKPZLBVRJU-KOLCDFICSA-N	236.080	-0.590	50	10	BBGE	
C#CC1(CNc2ncc(B(O)O)cn2)CCC1	2217200995	BXIFSWCUDBVPSL-UHFFFAOYSA-N	231.064	-0.628	50	10	BBGE	
CN1CC[C@H](CNc2cc(B(O)O)ccn2)C1	2217204375	IWDAISMKGHMEQL-SECBINFHSA-N	235.096	-0.875	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCCN1	2220056766	FKDGGCNQLRFJMR-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
CC(=O)[C@]1(C)CCN1Cc1cccc(B(O)O)c1	2220069612	ZBWYVGAEXQBRJV-ZDUSSCGKSA-N	247.103	-0.080	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@H]2CC[C@@H]21	2223650650	PAPUSPHEXSZEET-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
Cc1ncn(C)c1CNc1ncccc1B(O)O	2223667958	UJDSROCKMQMMTH-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1ccnc(N2CCN(C3CC3)CC2)c1	2223670314	WFGPKRPGPLCDHC-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)N3)c1	2223677116	KDGQQBXKSORUDV-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1c1cc(B(O)O)ccn1	2223679269	NIMLTTIBIRPFDF-ZJUUUORDSA-N	249.123	-0.710	50	10	BBGE	
Cn1c(O)c(F)c(=O)n(CCCl)c1=O	2241379929	SQIJMRUFDWPLGC-UHFFFAOYSA-N	222.603	-0.370	50	10	BBGE	
CCO[C@@]1(CNC(=O)NN)CCOC1	2241917215	QTLRYZDSELSWIQ-MRVPVSSYSA-N	203.242	-0.645	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC12CC(F)(F)C2	2243349310	JJUSVIIVNGUFLA-LURJTMIESA-N	228.991	-0.694	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@H]2CCC[C@H]1CC2	2243357393	WCVCPCPBUGUSTN-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
C#CCNC(=O)c1ccc(C)cc1B(O)O	2243366494	CXLDBUVARASCKF-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cn1	2243375564	VPJZURQCZTXHQG-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381236	DNMPUBWROXWWGJ-XSPKLOCKSA-N	226.085	-0.765	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243391562	LWIDRUIWDYXTRO-CIUDSAMLSA-N	224.069	0.000	50	10	BBGE	
NC[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243397035	UOKLHFOTOYZOPA-IWSPIJDZSA-N	226.085	-0.953	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243397484	CAWLZIOAAHDMKD-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243404804	UUNVVPUCFQOXAT-DJLDLDEBSA-N	227.069	-0.610	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414508	CBNOMBUQDOPHEH-MAUMQABQSA-N	227.069	-0.779	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@@H](C(=O)O)C[C@H]21	2244408805	DFSNHFPCXQLNAA-GJMOJQLCSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H](C(=O)NCCC#CB(O)O)C1CCC1	2244548703	SUPIOEHIZBSVQG-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
CC1(C)CCO[C@H](Cn2ccc(B(O)O)n2)C1	2246995384	QFTMABGLQHROKX-VIFPVBQESA-N	238.096	-0.232	50	10	BBGE	
O=C(N1C[C@H]2C[C@@]2(CO)C1)C1(B(O)O)CCC1	2247721135	AEPHRXPKAFQVKH-SCZZXKLOSA-N	239.080	-0.776	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1coc(B(O)O)c1	2247734594	SXBBGSYUCPXABB-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1C[C@H]2CC[C@H]1C2	2247741731	DYGSLBVQDVURIU-XWLWVQCSSA-N	235.092	-0.057	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)C1O	2247750102	DYOJMDMZXOEJGN-HTQZYQBOSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1occc1B(O)O	2247754353	FWQVZXMSTWMWST-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786619	DEEZJBPDIMJGDX-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)C1)[C@H]1C[C@H](B(O)O)C1	2247789728	ARBMBNJQEHLQBR-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
C#CC1CN(C(=O)c2cc(C)sc2B(O)O)C1	2247799355	CDXOEJCCQPHKGT-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1cn[nH]c1	2247800786	STNKOEPDWKVWBY-ZXFLCMHBSA-N	237.068	-0.160	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H](CCO)C1	2247808573	VJOFNEBONHXALF-BBBLOLIVSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](CN)C1	2247809924	SKKBWXUBBXVLCT-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ccc(B(O)O)o1	2247850229	LRQJKWBIASZWTB-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
CCC[C@@H]1CCOCCN1C(=O)C#CB(O)O	2247851209	WSLNRHJXWAANSG-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
C#CCCN(CC)C(=O)c1occc1B(O)O	2247852927	CFNREOYVSJMUJW-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)C1CC(B(O)O)C1	2247854521	DSLAYPGNQVDKKZ-UHFFFAOYSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](O)CC12CCC2	2247855685	WRZYFRYHVKKHDQ-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
O=C(N1CC([C@H](F)CO)C1)C1(B(O)O)CCC1	2247878474	KKIRSSPWNXKYQF-MRVPVSSYSA-N	245.059	-0.828	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C1CC1	2247879280	RTSQSFVRAOYLHS-VIFPVBQESA-N	233.032	-0.899	50	10	BBGE	
NCc1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247899153	KUIIRJQYXFINRN-UWVGGRQHSA-N	234.064	-0.053	50	10	BBGE	
Cc1cc(NC(=O)[C@@H](C)CO)cc(B(O)O)c1	2248440027	DFSOZRXUIQBLOI-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)CC(=O)O	2248586257	YCPBZQAJICNLIR-FXQIFTODSA-N	243.068	-0.534	50	10	BBGE	
CCC[C@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2248589733	UHCNXNBJPJNVOT-VIFPVBQESA-N	243.068	-0.247	50	10	BBGE	
C[C@@H](CNC(=O)c1cocc1B(O)O)C(F)F	2249415153	AGTJTRNXBPVZPX-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
O=C(NCC1(F)CCC1)c1cocc1B(O)O	2249415788	IWXRLPWVZRSCPD-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CNCC1(C)C	2251543266	RGIQRNMVODPNTN-VIFPVBQESA-N	242.323	-0.917	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255466105	TVMAESCDQBBGCA-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
O=C(NCc1cnn(C2CC2)c1)C1(B(O)O)CC1	2255482083	PNOZRWDHJBUIEC-UHFFFAOYSA-N	249.079	-0.159	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncncc2B(O)O)[C@@H]1C	2255691254	CJFVTHQHZHYOPZ-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1ncccc1B(O)O	2255722332	NISVCJQYSCFVSL-VIFPVBQESA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@H]1C=CCCCC1)c1n[nH]cc1B(O)O	2255764217	YGOCVMNEHPRNIQ-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)ccc2O)C1	2256018249	XMJVWAOULRUZRF-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	2297953738	WUOFISHEBNFDLX-QCLAVDOMSA-N	241.335	-0.296	50	10	BBGE	
C[C@@]12CCC[C@H]1C(=O)N2C(=O)[C@@H]1C[C@H]1B(O)O	2298370766	LHRHTOXNNWWPFB-FBSDJGSXSA-N	237.064	-0.223	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)[C@H](C2CC2)C1	2298371417	KVEVQGPMWJARFW-UTINFBMNSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375277	CMQIJUFJBSLJHM-QEYWKRMJSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@]2(CO)C1	2298375715	WYUNAAXAUWIIPE-WYOJIJJFSA-N	239.080	-0.920	50	10	BBGE	
C[C@@H](COC1CC(n2cncn2)C1)C(=O)NN	2301612987	BGRSUQFKCBRZHG-UEJVZZJDSA-N	239.279	-0.376	50	10	BBGE	
C#CCCOCC(=O)N1CC[C@@](C)(B(O)O)C1	2303109818	VCMPVAZCCYIQRT-LLVKDONJSA-N	239.080	-0.508	50	10	BBGE	
CC[C@@H]1C[C@H]1CC(=O)N[C@@H](CB(O)O)C(=O)O	2303534113	DADCKMYPYJCCGF-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C=CCC2)[nH]cc1F	2303848201	VVFOZJSTHZBGNI-QMMMGPOBSA-N	236.055	-0.300	50	10	BBGE	
CC[C@H](CNC)Oc1cc(B(O)O)c(F)cn1	2303858319	MEPLKHKWWPXGNF-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
C=C(CCN)COc1cc(B(O)O)c(F)cn1	2303861703	SCZIAADLUFFFPA-UHFFFAOYSA-N	240.043	-0.816	50	10	BBGE	
COC(=O)NC1CN([C@@H](C(=O)NN)C(C)C)C1	2306924395	ILWGEMJCAYVLBO-MRVPVSSYSA-N	244.295	-0.959	50	10	BBGE	
CCc1cncc(CNC(=O)C#CB(O)O)c1	2307612904	DUOWHTVNJMMHRC-UHFFFAOYSA-N	232.048	-0.724	50	10	BBGE	
O=C(N[C@H]1CCn2nccc2C1)[C@H]1C[C@H]1B(O)O	2312851725	RGMHOAIADWPCHO-UJNFCWOMSA-N	249.079	-0.823	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCCCCO	2317151537	RVLHATTUIKFWDL-UHFFFAOYSA-N	248.091	-0.187	50	10	BBGE	
C[C@@]1(COc2ccc(C=O)c(B(O)O)c2)CCN1	2317352008	RHFRXFLDGYUFDM-LBPRGKRZSA-N	249.075	-0.690	50	10	BBGE	
OB(O)c1cc(=NCc2ccccn2)[nH]cc1F	2320799193	KWOMABPGOXALGB-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@@H](C)CCl	70590176	PCLOMGUOCCPULB-NKWVEPMBSA-N	209.673	-0.015	50	10	BBGE	
CCN(CC(=O)NN)C[C@H]1CCCO1	82469635	NBWCRQIFTOLLFX-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
COc1ccc(O)c(C(=O)NNC(N)=S)c1	83591015	SYEODKXKQNCIID-UHFFFAOYSA-N	241.272	-0.121	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(CO)CC1	86313258	MZOUOEMGMRKIQN-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
Nc1nonc1NC(=O)CBr	90602449	MHSVLEDXWSQTBG-UHFFFAOYSA-N	221.014	-0.015	50	10	BBGE	
COCCN(CC(=O)O)C(=O)NN(C)C	149040032	KSGGADPFJCZTEO-UHFFFAOYSA-N	219.241	-0.794	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(B(O)O)cc2)n1	199007440	HSNSPUMJZVIRNS-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
Nc1cc(B(O)O)n(-c2ccccc2)n1	204450552	ZJIWIWUZGYGCDT-UHFFFAOYSA-N	203.010	-0.866	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@H](O)[C@@H](O)C1	232512440	UVLZFWXXVKTYER-BQBZGAKWSA-N	221.684	-0.185	50	10	BBGE	
COc1nc(NS(=O)(=O)CCCl)n[nH]1	234927679	JSZXDODQFWBIOG-UHFFFAOYSA-N	240.672	-0.206	50	10	BBGE	
CCCCCCNNC(=O)[C@H](N)CO	238242563	FNRQWMXDQPQQSZ-MRVPVSSYSA-N	203.286	-0.493	50	10	BBGE	
NC(=O)N(N=O)C1[C@@H]2COCOC[C@@H]12	238562457	MWYPIWCRPCABHY-RFZPGFLSSA-N	201.182	-0.333	50	10	BBGE	
N#CC1=C(N2CCCCC2)C(=O)NC1=O	238626193	OPTHUVHVKZLKGP-UHFFFAOYSA-N	205.217	-0.094	50	10	BBGE	
C[C@H](O)CCN(C)[C@H](C)[C@H](C)C(=O)NN	253034639	VSCZDMYFFXSNHS-XHNCKOQMSA-N	217.313	-0.296	50	10	BBGE	
CN1CCC([C@@H](N)CC(=O)NN(C)C)CC1	259203329	ZAUWFBHRPXMHRI-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
O=C1NNC[C@@H](N2CCCC2)[C@H]1Br	306259076	JDVQVQSXBVUXRV-RNFRBKRXSA-N	248.124	-0.151	50	10	BBGE	
COC(=O)[C@@H]1CSSC[C@H](N)C(=O)N1	306504426	YVFXXGHNDLUSBM-WHFBIAKZSA-N	236.318	-0.634	50	10	BBGE	
CNC(=O)C1CN(c2nnc(CCl)o2)C1	307004519	DJDOVQYNZIEEHW-UHFFFAOYSA-N	230.655	-0.009	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)CCl)CCS1(=O)=O	307760991	XSRRCXMPGMFPCW-WDSKDSINSA-N	225.697	-0.083	50	10	BBGE	
COC[C@H](OC[C@@H](OC)C(C)C)C(=O)NN	380090156	GOGOFGHFBVBJTR-BDAKNGLRSA-N	234.296	-0.321	50	10	BBGE	
COc1ccc(CN2C[C@H]3C[C@@H]3C2)cc1B(O)O	380350951	OAJAJTKXUYBNOF-GHMZBOCLSA-N	247.103	-0.173	50	10	BBGE	
C[C@H](CCO)CN=c1[nH]c(CCl)nc(=N)[nH]1	381201528	BTYMCHFORXBREW-ZCFIWIBFSA-N	245.714	-0.125	50	10	BBGE	
COc1ccc(C2CCNCC2)cc1B(O)O	382646124	YELYPAFAPHOYDP-UHFFFAOYSA-N	235.092	-0.158	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N(CCO)CCCO	385756051	QRHXWLQELNKNRE-SECBINFHSA-N	247.339	-0.932	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CCCC(=O)NN	385918785	SLPJVOCALZCVRB-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CCl)C(=O)NCC(C)(CO)CO	393895761	VNWUEQJNWXGDGG-SSDOTTSWSA-N	223.700	-0.032	50	10	BBGE	
NNc1cc(B(O)O)ccc1OC(F)F	396114904	VLRGDJJSCKBMRB-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
Nc1cc2c(B(O)O)ccc(CO)c2s1	396248604	QFPUHEVBINNZIG-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1c(O)c(B(O)O)cc2ccsc12	396391057	YMXSEAUJQCSNMN-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)s1	405053969	KDXFUTJESMRJDI-RITPCOANSA-N	240.093	-0.193	50	10	BBGE	
C=CCNC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405059115	AZNKDWIHCLNCJE-VIFPVBQESA-N	248.091	-0.087	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	688222349	LVJRYFOYKIDROM-MFKMUULPSA-N	249.119	-0.167	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299122	BZLZQMXQYSPUDY-WDEREUQCSA-N	240.351	-0.219	50	10	BBGE	
COC1CC(CN(C)CC(=O)NN)C1	703368532	GOIXFSOJHOIPBC-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)N	704387175	YZTYYKZSKXFPFK-QMMMGPOBSA-N	201.270	-0.131	50	10	BBGE	
N#CC1(O)CCN(c2nnc(N)o2)CC1	709279288	CKWRDMRDRCLQBH-UHFFFAOYSA-N	209.209	-0.493	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710474871	FHKZWWWQHGLMPP-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
Cn1nnnc1CN[C@H]1COCC[C@@H]1Cl	710853744	ATSGDNKHIVRNGE-BQBZGAKWSA-N	231.687	-0.304	50	10	BBGE	
C[C@H](CN1CC[C@@H](C(C)(C)O)C1)C(=O)NN	721778257	PNYAZMMTINSXAC-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2OCC[C@H]2C1	724821633	IKZXGFOYIYPYBU-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CCNC1=O	725596363	KVKHENRXXLBIGF-PHDIDXHHSA-N	204.657	-0.134	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnsn1	730592482	QYJZTSLWVSHCGE-RFZPGFLSSA-N	226.261	-0.045	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ccc(C#N)nc1	768254825	FGYLMHAHQPHARG-UHFFFAOYSA-N	248.242	-0.515	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	820400313	MNVCBHWXXAQFLB-HTQZYQBOSA-N	225.248	-0.483	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNC(C)=O)C1	854155110	FQTZBCOLGODUDU-YUMQZZPRSA-N	200.238	-0.031	50	10	BBGE	
Cc1ncc(CC(=O)NN(C)[C@@H](C)CO)o1	911448214	QVAUFUMPFVHSFK-ZETCQYMHSA-N	227.264	-0.131	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)CCOC	1297759804	GOZKEAITUSLLOA-SECBINFHSA-N	215.297	-0.310	50	10	BBGE	
Cn1cc(C(=O)NN=Cc2cncnc2)cn1	1324201115	CWWASAIOMILHPD-UHFFFAOYSA-N	230.231	-0.026	50	10	BBGE	
CCNC(=O)NNC(=O)c1nn(C)cc1C	1542342223	NJFWYWACMFLEJY-UHFFFAOYSA-N	225.252	-0.308	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc2ncn(C)c2n1	1630972680	QWNIKBYRJUVBQG-UHFFFAOYSA-N	248.246	-0.458	50	10	BBGE	
CCNC(=O)NNC(=O)C[C@@H]1CCC(=O)NC1	1631194255	VYQZPIYCDXWXPK-ZETCQYMHSA-N	242.279	-0.747	50	10	BBGE	
O=C(NNc1ncccn1)N[C@H]1CCOC1=O	1638101408	ULMKGMQECGAECZ-LURJTMIESA-N	237.219	-0.582	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1F	1638295947	JTPKJCKEFNCEDY-WDSKDSINSA-N	203.217	-0.947	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2ccncn2)c1	1641048331	KXPNOYZAFUAZLI-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
O=S1(=O)CC(CNOCCCl)C1	1881157706	VRCCLWQZYGRDHT-UHFFFAOYSA-N	213.686	-0.209	50	10	BBGE	
C=CC1(O)CN(S(=O)(=O)CCl)C1	1881283921	XAQGRDFEAJMNFT-UHFFFAOYSA-N	211.670	-0.255	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1C[C@@H]1CO	1883627226	RRKDVKCBPXJQGZ-PHDIDXHHSA-N	203.625	-0.195	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NC[C@@H]1C[C@@H]1Cl	1893106699	HLKAHGCMGBRKEK-HCWXCVPCSA-N	220.656	-0.468	50	10	BBGE	
O=C(NC[C@@H]1COCCN1)[C@H]1C[C@H]1Cl	1893453179	LBFBLPPOBDLXMO-GJMOJQLCSA-N	218.684	-0.282	50	10	BBGE	
C[C@@H](CN1CCC2CC1(CO)C2)C(=O)NN	1900055170	ARYKUCKUHDPCHK-SILCLGDVSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cnsc1B(O)O	1900466858	MKUOOWKXOJNGHG-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
C#CCONc1ccc(B(O)O)cc1C#N	1901205943	XBMLQAWJWONJMP-UHFFFAOYSA-N	216.005	-0.785	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H]1[C@H](C)N	1901339083	IALLPEQEIIRZSI-BIIVOSGPSA-N	249.336	-0.718	50	10	BBGE	
O=C1[C@H](F)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	1901656899	LQPGEHIUGAXMMC-DSYKOEDSSA-N	229.016	-0.664	50	10	BBGE	
CCCN(CCC)NC(=O)C[C@H](N)C(=O)O	1901997088	GXTGRWJMBGHTQS-QMMMGPOBSA-N	231.296	-0.058	50	10	BBGE	
CCN(CC)C(=O)CN1CC[C@H](B(O)O)C1	1902506712	WRMAPWCNCIEHBC-VIFPVBQESA-N	228.101	-0.597	50	10	BBGE	
CN1C[C@H](CN2CC[C@@H](B(O)O)C2)CC1=O	1902511307	GFKIQJOPDNHZRF-RKDXNWHRSA-N	226.085	-0.987	50	10	BBGE	
Cc1scc(C(=O)NOC(C)C)c1B(O)O	1902866487	XVVASXSJCUPBII-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@@H]2C[C@@H]2CO1)C(=O)NN	1908055417	VBQOQACVXVFBIF-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1N	1923215648	FUXUSJKITAEYRP-GHMZBOCLSA-N	234.303	-0.564	50	10	BBGE	
C=C(CCl)CN1CCOC[C@H]1[C@H](O)CO	1928574226	TUCPNOYUISUHTB-VHSXEESVSA-N	235.711	-0.165	50	10	BBGE	
Cc1ncccc1CCNC(=O)C(=O)NN	1936155976	PFTFMZVKTCUQBY-UHFFFAOYSA-N	222.248	-0.961	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)[C@@H](C2CC2)C1	1937478314	XJVPXDRXFITILI-NXEZZACHSA-N	227.308	-0.541	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CC(F)(F)C(=O)NN)C2	1940894744	ZVEUCEWGGFAGHW-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
CC(C)[C@H]1CC(=O)N(CCOCC(=O)NN)C1	1941781254	ZCGJUSGRUPIKLY-VIFPVBQESA-N	243.307	-0.503	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	1949698145	XPEIGCBGEZENQX-QMMMGPOBSA-N	240.307	-0.939	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@H]1CCCO1	1951073596	UNCIHWDZVFVCCT-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
O=CN1CCN(C(=O)CBr)CC1	1953569923	WJAPTAMYRXMCCJ-UHFFFAOYSA-N	235.081	-0.318	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@H](O)C1	1954215838	QQTOQVFDDHVHQY-YUMQZZPRSA-N	203.673	-0.617	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](C)CC(=O)NN	1955926345	JNHGNPQLDOSVCR-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CON(CC(=O)NN)C1CCOCC1	1956250471	HIIHTWUMJAOFHQ-UHFFFAOYSA-N	203.242	-0.981	50	10	BBGE	
CC1(C)C[C@H](O)CCN1CC(=O)NN	1956750119	ADIQUNVIBNNLHU-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CNC(=O)NN(C)C)[C@@H](F)C(=O)O	1959186137	PEPQVNQHKZKQJG-PHDIDXHHSA-N	221.232	-0.179	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)C1CC1	1961681293	SOOIUHZBDDXXHY-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
NNC(=O)N1CC(CS(=O)(=O)C(F)F)C1	1961849650	DRNQDPGEGQZKBU-UHFFFAOYSA-N	243.235	-0.861	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H](O)C2	1961926421	MUOJTHNMEDRYRT-HOTMZDKISA-N	235.711	-0.598	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1n1cnnc1CCl	1962116979	HEEOVSTYXPNMOF-IYSWYEEDSA-N	230.655	-0.168	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](CCO)C(F)F	1975123736	ZTYHYFMSGDYMTJ-NTSWFWBYSA-N	225.239	-0.687	50	10	BBGE	
CC(C)N1CCCN(CCC(=O)NN)CC1	1980742943	CJBCZCUWGYIQFU-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)CCCN1CC(O)(C(F)(F)F)C1	1980809230	HKCXXSMYLRRFER-UHFFFAOYSA-N	241.213	-0.635	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ncn(C)c2C1	1980863228	SQFJXFNHDWZHGS-ZETCQYMHSA-N	223.280	-0.843	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]2(CCOC2)C1	1981046235	RHTQUHOHFLACIF-SNVBAGLBSA-N	227.264	-0.995	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CCC2)C1	1981416764	SMCCJSXNHIHSCO-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
CCC[C@H](COC)C(=O)NCC=CB(O)O	1991335854	ZUXDIRBLQOTZKD-SECBINFHSA-N	229.085	-0.267	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991651634	UXHSVBVKFZPCQU-SSDOTTSWSA-N	244.678	-0.098	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@@H](C1)C2	1992341650	LQKDTTKOUHYHLA-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)C[C@@H]1CO	1993217099	GHHLHOKWEIFNOD-XLNBVVSQSA-N	247.678	-0.348	50	10	BBGE	
C[C@@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1CCC1	1998130806	OKHQIDGMGWDLMP-HTRCEHHLSA-N	243.068	-0.535	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1C[C@@H]1C1CC1	1998130869	PBGQXYQPFCHFAI-CSMHCCOUSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2CC[C@@H](O)C[C@H]21	2001965945	DTBSFBCNZFHCJT-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2c1ncncc1B(O)O	2004921640	YFLJMIBUMGLVCW-GZMMTYOYSA-N	233.080	-0.465	50	10	BBGE	
COc1nc(O[C@H](C)C(C)C)ncc1B(O)O	2004924941	JUUVFXBADNJSKO-SSDOTTSWSA-N	240.068	-0.412	50	10	BBGE	
COc1nc(O[C@@H](C)C(C)C)ncc1B(O)O	2004924942	JUUVFXBADNJSKO-ZETCQYMHSA-N	240.068	-0.412	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC2(CC(O)C2)C1	2005803392	OPUSQVIECLKSHD-UHFFFAOYSA-N	241.291	-1.000	50	10	BBGE	
COC[C@H](C)OC[C@H]1CCC[C@@H](C(=O)NN)O1	2018242348	GYSAWQJANJDOIP-AEJSXWLSSA-N	246.307	-0.035	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2CCCCC[C@H]21	2021108497	BPZAXLMGIAACGQ-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(F)c(F)c1	2021162588	IVYLFAQSILMMOR-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2026822290	VDRBVQFOTDIBOR-PLBAEDMOSA-N	231.060	-0.205	50	10	BBGE	
CN(Cc1ccccn1)c1ccncc1B(O)O	2052498719	IZGPZTCCFBHUEZ-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
OB(O)c1cnc(-n2ncc3ccccc32)nc1	2052604715	XWMQXMPMZFOEQE-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
Cc1nc(N(C)c2ccnn2C)ccc1B(O)O	2052794896	CBLMZUHATKKUCZ-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
CCC(CC)Cn1cnc2c(B(O)O)ncnc21	2055728416	MCPYLPKONGGESI-UHFFFAOYSA-N	248.095	-0.058	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccn2cnnc2c1	2067873197	OMRUXMAZFHVZHK-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
OB(O)c1cncc(OCC23CCC(CC2)O3)c1	2071779264	FWVOIBWFZPSHQK-UHFFFAOYSA-N	249.075	-0.148	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](O)C1)c1ccccc1B(O)O	2079008811	NELBKERELVNZKL-BDAKNGLRSA-N	249.075	-0.990	50	10	BBGE	
O=C(NCc1ncco1)c1cccc(B(O)O)c1	2079011814	JSPUPNMPYNULKS-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
NNC(=O)C(=O)NCCSC(F)F	2209105995	HGMWGDATGOHINK-UHFFFAOYSA-N	213.209	-0.952	50	10	BBGE	
CS(C)(=O)=NCc1nscc1B(O)O	2209702749	LQCKBGNSEOGNKS-UHFFFAOYSA-N	234.111	-0.950	50	10	BBGE	
Cn1cn[nH]c1=NC[C@@H]1COC[C@@H]1Cl	2209806294	RAUZZDZKZBAIJL-RQJHMYQMSA-N	216.672	-0.097	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1ncc(B(O)O)s1	2211377900	OJWYYWAGOJPSGR-PHDIDXHHSA-N	240.093	-0.193	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@]1(F)CCOC1	2212151619	FXZRHTDRMYQKHA-WPRPVWTQSA-N	233.287	-0.185	50	10	BBGE	
OB(O)c1cccnc1NCc1cnc[nH]1	2212612932	QDZSBSLADMFLFN-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	2213224121	YUGCBGOPAQXWPU-LSJOCFKGSA-N	236.080	-0.622	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@H]1CC[C@@H]1C(=O)NN	2215770293	ATRUDENBESPVTA-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@H]1CO	2215770866	DZPRMSJRQBUYHS-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C)OCC1(C(=O)NN)CCOCC1	2216865421	GNONPEOKRGLQRT-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
CN(Cc1cscn1)c1cc(B(O)O)ccn1	2217177021	DOPWIDZZADCDHX-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC[C@@H](O)C1	2217177937	PGWXQTSWAJEHDX-RKDXNWHRSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cccnc1NCC12CC(CO1)C2	2217178741	APGBSUKGRWYYML-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)CCO1	2217179584	MUSBMJQFFUAOCB-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@]1(CO)CCCN1c1ncccc1B(O)O	2217180951	MJOMPPYLBHBUAI-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
Cc1cnc(Nc2cnn(C)c2)cc1B(O)O	2217182692	GIRONNHFLYESJR-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
Cc1cnc(N[C@@H](CN)C(C)C)cc1B(O)O	2217183816	LBXNMBOQYNCJIK-JTQLQIEISA-N	237.112	-0.535	50	10	BBGE	
OB(O)c1ccnc(N2CC(C(F)F)C2)c1F	2217183875	LLHYCEPJUJXRLD-UHFFFAOYSA-N	245.997	-0.398	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCNCC2)nc1	2217198848	HCMAAJKEKPIAHG-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCCC[C@@H]21	2217336301	CDWGTWRCHKTLSX-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1CN	2220062596	MCZPPZXWIBKKPH-ZYHUDNBSSA-N	248.135	-0.607	50	10	BBGE	
CN1CCC[C@]1(C)CNc1ncccc1B(O)O	2223626316	HMMZBYQYUZFDPS-GFCCVEGCSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1CC[C@@H]2O	2223643268	TZUBFQCDDBMQGC-KKZNHRDASA-N	248.091	-0.889	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@@H]1Oc1ncccc1B(O)O	2223652749	LCXBYWTWOIRGSO-VHSXEESVSA-N	248.091	-0.590	50	10	BBGE	
N#C[C@@H](Cl)CN(CCO)CCCN	2241416961	MPBGAWXEYHTTDQ-MRVPVSSYSA-N	205.689	-0.240	50	10	BBGE	
C=CCSCCNC(=O)C#CB(O)O	2241476038	KMFLWKIMQBQXLS-UHFFFAOYSA-N	213.067	-0.963	50	10	BBGE	
O=C(O)C1CN(C2CN(C(=O)F)C2)C1	2241581630	QCXVVORFMNTRDQ-UHFFFAOYSA-N	202.185	-0.224	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H]1[C@@H](O)CO	2241810610	GGZNZSQBVUXQII-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
CN(C[C@H]1CCCCS1)C(=O)C#CB(O)O	2243349168	HDEJTKQORQZMIO-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
CC#CCCNC(=O)c1coc(B(O)O)c1	2243349638	OGPXAWSVOVCCQR-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	2243350043	UTOREKXEUXYWLH-ILWJIGKKSA-N	221.065	-0.351	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CCCC[C@@H]21	2243356261	DWOWYHJCWWNKHC-ZJUUUORDSA-N	221.065	-0.207	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)c[nH]1	2243356872	NZVYTWHHSMDXIL-UHFFFAOYSA-N	224.069	-0.387	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)nc1	2243357066	QPSKIWHNMRXJQD-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
O=C(N1CCC[C@@H](O)C1)C1(B(O)O)CCC1	2243364167	SDZIPDIEPLERSY-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
CCN(CCF)C(=O)c1sncc1B(O)O	2243378104	MMMNSZKMEXWETJ-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
CCN(CCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381640	HPNRZPKOGBMABJ-DTORHVGOSA-N	229.085	-0.530	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)c(C)s1	2243383221	VWEMQVAQNTUKQW-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
NCCC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243395665	ANQKFCKGMMFZAM-ABIFROTESA-N	226.085	-0.907	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)C[C@@H](C)O1	2243401012	LAYQQDBLEWFXIQ-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C(C)(C)C	2243406983	JCDCVHASQKPFHX-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccoc2B(O)O)[C@H]1C	2243407309	PJCWCABVTZLZHO-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)C1(B(O)O)CC1	2243409800	PFSNCAHNCNFPCP-SECBINFHSA-N	226.085	-0.667	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2243413242	CBNOMBUQDOPHEH-DFAZKQQPSA-N	227.069	-0.779	50	10	BBGE	
CCCC1(O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414570	DAPHFKAISRXKAO-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CCCCN(O)C(=O)c1cc(B(O)O)co1	2244223036	YTOGFDFPAZWVAC-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@@H]1C	2247752210	KSEYHHKNDKPHTB-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758409	ZEJGMZJJRKBNFN-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1c(F)cccc1B(O)O	2247760541	JRZAUNDMXDZUJE-RCOVLWMOSA-N	237.039	-0.356	50	10	BBGE	
O=C(NCCC1CC(O)C1)[C@H]1C[C@@H](B(O)O)C1	2247786934	ISONKXHRIHNRNA-XWJSGITJSA-N	241.096	-0.483	50	10	BBGE	
CN(Cc1nc[nH]n1)C(=O)C1CC(B(O)O)C1	2247796934	DZOPGPVAHRLKPI-UHFFFAOYSA-N	238.056	-0.984	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H](CCO)C1	2247797093	GCDHDEQFQCNTSW-IDKOKCKLSA-N	241.096	-0.530	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCC[C@H]1O	2247799169	AEVXTPMCYNKZRR-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC12CC(CO)C2	2247805404	BPISZIMNJIODAG-UVCIYIGYSA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1OC2(CN(C)C(=O)C#CB(O)O)CC1C2	2247849772	FAVDPANMTUTYOV-FKTRJACZSA-N	237.064	-0.972	50	10	BBGE	
CCC(C)(C)NC(=O)c1cncc(B(O)O)c1	2247852169	PRAHNOAJKYNPSF-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1COCC1(F)F	2247871916	JLLBMKLRYOSMCK-ZCFIWIBFSA-N	249.022	-0.514	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)C1(B(O)O)CCC1	2247877559	IIMUSHBLZBWAQP-VIFPVBQESA-N	241.096	-0.074	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(CC(O)C2)C1	2247886391	BFLDTNATIQDHFK-GWMJWBFUSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)[C@@H]1C[C@@H]1B(O)O	2247887113	KHXHZZKEPQSZGQ-OEZYJKACSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2247893138	MVJHKOVBDNNGHQ-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
Cc1nccn1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247895327	RFNHZPSWBWXEON-IUCAKERBSA-N	237.068	-0.829	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895621	UNQZCVIFNVQAMC-OCAPTIKFSA-N	243.112	-0.095	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897594	VEGQMFNDVXWHOR-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247897976	ZBEVXGLLOXCRQY-AXTSPUMRSA-N	238.096	-0.846	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900343	VZSKEEAJTWTHEW-GUBZILKMSA-N	243.112	-0.237	50	10	BBGE	
CCO[C@@H]1C=CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900400	WMBQXMJAPJWWNM-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
O=C(O)[C@@H]1C=CCN1C(=O)C1(B(O)O)CCC1	2248589058	LLMPBFWGIXJBMU-ZETCQYMHSA-N	239.036	-0.765	50	10	BBGE	
C=C[C@H]1COCCN1c1ncccc1B(O)O	2249034834	CJXHXTARLIUGSV-VIFPVBQESA-N	234.064	-0.847	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)NCCC#CB(O)O	2250005696	AZZNEJCGBXQRAT-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1coc(B(O)O)c1	2255456084	JKDXCEDZHRHZDM-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2255468828	HJFFOFLIRKCNAO-CUJWVEQBSA-N	249.075	-0.266	50	10	BBGE	
CC#CCCNC(=O)c1nc(C)ccc1B(O)O	2255487404	OSKHLWJSYWCOJQ-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@@H]32)c(B(O)O)c1	2255509335	JSPLOGQJWCWUKG-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
C[C@]1(NC(=O)c2c[nH]nc2B(O)O)CC=CCC1	2255551201	UPHANNHCTLJVIH-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2cc(B(O)O)n[nH]2)C1	2255554007	GOLWUPKWJURFHZ-UHFFFAOYSA-N	249.079	-0.874	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC[C@H]2C[C@H]21	2255689549	MSOKQNGXYXDBKU-OIBJUYFYSA-N	249.050	-0.260	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N=c2cc[nH][nH]2)c1	2255736990	XRFKTHZMKYFKFO-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2O)C1	2255936876	NDXNUOYJWFZBFY-QMMMGPOBSA-N	249.075	-0.446	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccc(B(O)O)cc1O	2255952636	WKGMPQJJADUJQD-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2nccnc2B(O)O)C1	2256068467	BETBVIUYMHOQPX-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1CC[C@H]1C	2257491235	LFJSZPAFBYJKPX-GMSGAONNSA-N	248.091	-0.402	50	10	BBGE	
O=C(NCCC#CB(O)O)c1c[nH]nc1C1CC1	2258954906	NLUOEYAMLLCBCV-UHFFFAOYSA-N	247.063	-0.578	50	10	BBGE	
CC#CC(=O)NCCc1c(F)cccc1B(O)O	2260959533	VKMWKTZZGXVXCJ-UHFFFAOYSA-N	249.050	-0.813	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H]2COC[C@H]21	2298166325	GOUHGHLXLDXZFL-CHWFTXMASA-N	239.319	-0.277	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C[C@H]1CO	2298167974	KTQDOEKNYZWVNM-CHWFTXMASA-N	241.335	-0.437	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@H]2CO1)[C@H]1C[C@H]1B(O)O	2298375525	NLTYMXWYXJUOFE-BQHMLIOBSA-N	239.080	-0.610	50	10	BBGE	
CC1(C)OC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298376079	HCUKKQSTBUURBJ-PRJMDXOYSA-N	243.068	-0.883	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@H]21	2298376373	UIUBRULMSYXPKZ-ZOZBQHSOSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376787	OMNVAPWIMPVVBR-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)C1(B(O)O)CCC1	2298568564	KOSFCDKZHGMBSI-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC[C@@H]1C[C@H]1C(=O)NN	2299035788	RHEVMJBFKZQEDC-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(CF)C1	2301345650	IIHROQNYTNSUTQ-UHFFFAOYSA-N	234.039	-0.356	50	10	BBGE	
O=C(c1ccncc1O)N1CC[C@@H](B(O)O)C1	2303101597	LLUASKQFRXHADQ-SSDOTTSWSA-N	236.036	-0.524	50	10	BBGE	
N[C@@H]1CC[C@@H]1COc1cc(B(O)O)c(F)cn1	2303848891	DZMWXVOFAAUCRA-HZGVNTEJSA-N	240.043	-0.983	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@@H](O)[C@H]2C3)c1	2312408840	DXQKOJJXCSBHCQ-CYZMBNFOSA-N	247.103	-0.679	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCOC1	2317161930	GWFOFCDYSNEJQP-SECBINFHSA-N	246.075	-0.314	50	10	BBGE	
CCC#CC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2319240789	PGGCIUUBSVEXHV-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@@H](N=C=O)C1	20258004	JJHMXWAKSQMIGO-MRVPVSSYSA-N	233.293	-0.407	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCCCl	37834226	QSHBCPBKMCBTNN-YUMQZZPRSA-N	248.710	-0.157	50	10	BBGE	
O=C(CCCl)NCC(=O)N1CCOCC1	41693090	UCKVMWSRRCYDAP-UHFFFAOYSA-N	234.683	-0.410	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H]1CCO	58845794	LDOIQTOYYMBICN-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@H](O)C1	70596899	ZDJCPYJMBDKFLL-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
NC(=O)Cc1nc(CCl)cc(=O)[nH]1	71025769	VGXWJPCBKQIVRP-UHFFFAOYSA-N	201.613	-0.464	50	10	BBGE	
CC(C)OC[C@@H]1CC[C@H](C(=O)NN)O1	82463760	VWTQVICLGJSNLS-JGVFFNPUSA-N	202.254	-0.051	50	10	BBGE	
CS(=O)(=O)c1ccc(OCC(=O)NN)cc1	82465099	OUHFVMWYRWHACR-UHFFFAOYSA-N	244.272	-0.541	50	10	BBGE	
CCN(CCC(=O)NN)CC(C)(C)O	86275178	BGESRTQHCFWMCP-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
O=C(CCCCCl)N[C@@H]1CONC1=O	86482476	LWYPGRDIDDPPQZ-ZCFIWIBFSA-N	220.656	-0.058	50	10	BBGE	
CC(=O)N1CCN([C@@H](C)[C@H](C)C(=O)NN)CC1	93071679	OQNOBBKSTFZLNW-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](CN1CC[C@H](N2CCCC2)C1)C(=O)NN	110581883	NLPMCHUDAQNFJA-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
O=C(CCCl)N1CCOC[C@@H]1CO	159031105	GCSHWHAMFWFQHU-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
CCC1(COCC[Si](O)(O)O)COC1	197901709	ZOGDPDXWPHOQTN-UHFFFAOYSA-N	222.313	-0.655	50	10	BBGE	
NNC(=O)CCCN(CCCO)C1CCC1	228568572	FYUNSTGKIACFGJ-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOCC1(C)C	232419917	NPAIJNNYHXOAKI-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CO[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1OC	234782385	QSZCIEVPGRDWOE-DTORHVGOSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](O)C1CCN([C@@H](C)CC(=O)NN)CC1	235528266	PDGIQWMTIIEWRP-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CCCCCCCNNC(=O)[C@H](N)CO	238223551	KOECYOLRMWJJNW-SECBINFHSA-N	217.313	-0.103	50	10	BBGE	
NC[C@@H](O)CNCCCBr	238624865	QBTSOLMPZKFEIW-ZCFIWIBFSA-N	211.103	-0.319	50	10	BBGE	
OB(O)c1cnc(F)c(Br)c1	238634206	KGFDNHXGCGYSEX-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)[C@H](C)CO1	250684209	ZUXKJTHNQNXNFY-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
CCOC(=O)[C@H]1C(C#N)=C(O)C(=O)N1C	260298944	VRAPZQBDAKNKBG-ZCFIWIBFSA-N	210.189	-0.274	50	10	BBGE	
COC[C@H](O[C@H]1CCC[C@H](OC)C1)C(=O)NN	300018412	GJCYKPGMIZDNHU-GUBZILKMSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H]1CCO	304553867	MQPMHKPRWIBJDW-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
C[C@]1(CN)CCN(CCC(=O)NN)C1	308480417	MGZNIXXJRQIYDT-SECBINFHSA-N	200.286	-0.963	50	10	BBGE	
OB(O)c1ccc(CO[C@H]2CCNC2)cc1	309501068	HLUUFJZOFVXFIP-NSHDSACASA-N	221.065	-0.755	50	10	BBGE	
COC[C@H]1CCC[N@@+]12Cc1ccccc1[B-]2(O)O	310639409	SIVRDQIYIGTHMD-IUODEOHRSA-N	249.119	-0.044	50	10	BBGE	
NNC(=O)c1coc(COC2CCOCC2)n1	386723589	AISPDNJBDMNHDU-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
C[C@H]1CN(CCCCCC(=O)NN)CC(=O)N1	387308266	PUHVJDBJHPZBDP-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
O=c1nc(CCn2cnnc2CCl)[nH]o1	392166997	JTPMFXJHADRNMD-UHFFFAOYSA-N	229.627	-0.064	50	10	BBGE	
OCc1cc2sc(B(O)O)cc2cc1O	396345881	QJJLPCGDQUCTEL-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OCc1cc2cc(O)sc2cc1B(O)O	396383621	VCCDTLGHLIQFSI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCOC1	398904978	FQNZUGCBSLPWRW-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
CN(CC[S@@](C)=O)[C@H](C(=O)NN)C(C)(C)C	399974991	KNLLPXQNTKSXKH-VPTHRUTESA-N	249.380	-0.299	50	10	BBGE	
CCOCC(=O)Nc1cc(B(O)O)ccc1C	405038551	XXEDPIHRVDRPGM-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C(=O)OCCl)C2)N1	692877338	XOBQHGAVINGDKX-MRVPVSSYSA-N	247.638	-0.397	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CC=C(C(=O)O)C1	702219739	NMCIMADIJMBGMX-SSDOTTSWSA-N	213.237	-0.064	50	10	BBGE	
COc1ccc(CCn2ccc(B(O)O)n2)cc1	703768401	GLULTCXFFGDZRD-UHFFFAOYSA-N	246.075	-0.186	50	10	BBGE	
CC(=O)c1c[nH]c(C(=O)NNC(N)=S)c1	706016932	CGBRBWMQNBHPAI-UHFFFAOYSA-N	226.261	-0.305	50	10	BBGE	
O=C1CN(CCO[C@H]2CC2(F)F)CC(=O)O1	709262057	FOXNTCOOTCXAEN-LURJTMIESA-N	235.186	-0.204	50	10	BBGE	
CC[C@@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	710210441	PIZHHBHLUTVAOU-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1CC(CO)C2	719155549	PKVPOJMVSHKKAY-UWVGGRQHSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696263	AEJSCKORVWZAAO-HLTSFMKQSA-N	212.297	-0.857	50	10	BBGE	
COCC(=O)NN[C@H](C(=O)OC)C1CC1	781592401	DSQOLTLMZDFERH-QMMMGPOBSA-N	216.237	-0.795	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCCCN)CC1	821980512	HNRSFAFGZIMXLX-UHFFFAOYSA-N	225.292	-0.008	50	10	BBGE	
CCN(CCO)NC(=O)/C=C/Cn1cncn1	911443820	OFMWDVJBOJCVAA-ONEGZZNKSA-N	239.279	-0.820	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cn(C)nc1C	1142142431	PWMWTXJAEGOFQG-UHFFFAOYSA-N	225.252	-0.769	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1cccnn1	1153524890	ZGITWEPDZBFGOS-ALCCZGGFSA-N	236.231	-0.212	50	10	BBGE	
CN(C)C1CN(Cc2cscc2B(O)O)C1	1231946836	YQUUWNLWNPNDIL-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC2(F)F)cn1	1293761780	XGVFXFUWHFQTLW-ZCFIWIBFSA-N	244.201	-0.164	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NN(C)C(N)=O	1329318604	BJIZHXSGJQMRGJ-ZETCQYMHSA-N	228.252	-0.961	50	10	BBGE	
NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53	1332450199	CXOOSEINYUKPPF-WUQPKRHYSA-N	204.229	-0.697	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccon2)nc1O	1457502408	CXWSRXDAHDDYSA-UHFFFAOYSA-N	236.191	-0.369	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnn2c1CCC2	1464543738	PVAXZQRRWAGEMD-UHFFFAOYSA-N	237.263	-0.255	50	10	BBGE	
CC(=O)NNC(=O)c1cn(-c2cccnc2)nn1	1540576629	WSSXEZAMJBDGPY-UHFFFAOYSA-N	246.230	-0.557	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)CO)c(C)o1	1650909707	LCKAIQLOTXJOFC-UHFFFAOYSA-N	213.193	-0.955	50	10	BBGE	
NC(=O)CONC(=O)[C@H]1C[C@H]1Br	1881367144	UYSHOIRSIBFNSI-IUYQGCFVSA-N	237.053	-0.697	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@H]2Br)COC1	1883530043	VVGIQVQGFXJXDN-PHDIDXHHSA-N	249.108	-0.386	50	10	BBGE	
CN(CCC(=O)NN)[C@@]1(C)CCOC1	1884657351	FJMJZQSCLWGFJB-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C(=O)CCCl	1885617638	YXQZZLJVPJDYCT-HTRCEHHLSA-N	221.684	-0.042	50	10	BBGE	
CC[C@](C)(C(=O)NCB(O)O)C(F)F	1887105526	KEWPDVNGMPDZMH-ZETCQYMHSA-N	209.001	-0.204	50	10	BBGE	
N#CCNC(=O)C(=O)NC[C@H]1C[C@@H]1Cl	1893089450	UKBMXVNIYZLGJU-RITPCOANSA-N	215.640	-0.630	50	10	BBGE	
COC[C@H](ON)C(=O)NC[C@H]1C[C@H]1Cl	1893129948	ZCHKESSSQCIHFH-QYNIQEEDSA-N	222.672	-0.365	50	10	BBGE	
C[C@@H]1C[C@H](Oc2nc(B(O)O)cs2)CCO1	1897965814	NYLRGQJSLJBOIC-RNFRBKRXSA-N	243.093	-0.231	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1occc1N	1901339191	JXJUSGGTARHALG-UHFFFAOYSA-N	247.276	-0.212	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CO[C@H]2C[C@@H]1C2	1908622036	QPUVMFYZMXAHCB-DAWVFNFOSA-N	239.319	-0.278	50	10	BBGE	
O=C(C[C@@H]1CCC[C@@H]2C[C@H]12)NCC#CB(O)O	1910312565	PBYRGAUCRAWHEF-VWYCJHECSA-N	235.092	-0.056	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H](O)CN2)CC1	1917111810	GSNRKOQHLSKXHI-ZJUUUORDSA-N	221.260	-0.609	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)CC1(C)C	1930243406	IZTDEAFBFFBWDT-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
CN1CC2(C1)CN(CCCC(=O)NN)C2	1932061284	RWYLOOMEIHIPTJ-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@H]2CO	1935287012	SVAWLSOXSJXUSI-YIZRAAEISA-N	213.281	-0.788	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@@H](C)C(=O)NN)C[C@@H]21	1935840561	VMJMZZGPKYTCRU-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)CO	1936087760	GFGOBFFLKUGFQF-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@H](O)C1CC1)CC1(C(=O)NN)CC1	1938234346	WKUIBTINBLMBQQ-VIFPVBQESA-N	227.308	-0.541	50	10	BBGE	
CO[C@@H]1CN(CCOCC(=O)NN)CC12CC2	1944719837	QRDILMZVNIWVCR-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1CC1(C(=O)NN)CC1	1945884046	KNNWTGWAMWWUQB-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
O=C(CBr)[C@@H]1[C@@H]2NCCO[C@@H]21	1953233486	UIQYTKUBDGHEPQ-DSYKOEDSSA-N	220.066	-0.063	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)[C@@H](C)Cl	1955276385	LCALSIZCSPWVLE-HTRCEHHLSA-N	225.672	-0.900	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955550537	XCWDVOHOUIVHMQ-LQOSVEJXSA-N	219.668	-0.434	50	10	BBGE	
CCC(CC)Oc1ncncc1B(O)O	1961695030	XQRMJWGJBUPGBX-UHFFFAOYSA-N	210.042	-0.276	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2C[C@@H]2CCl)n1	1962199666	KINRTCFURQFQJZ-RITPCOANSA-N	229.671	-0.185	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CC(C)(C)C(=O)NN	1979616402	QHCAJMSQIHEXRI-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCOC[C@@H]1CCCN(C(=O)C(=O)NN)C1	1980742953	COUGKDSCBVSCQD-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
Cn1nccc1[C@H]1CCCN1CC(=O)NN	1981087891	FLYUOPXUSFCCIU-SECBINFHSA-N	223.280	-0.453	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C2(CCCC2)C1	1982145555	NCXITCQEUCUFQO-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
COC1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	1985356747	IGOOGPXNZGQTDT-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(C1)OC[C@H](O)[C@H]2O	1986231548	UHQZSHNVICRGQD-ACLDMZEESA-N	249.694	-0.663	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)[C@@H]1C	1988001961	QAMOGNNHGVDYAE-RNFRBKRXSA-N	224.044	-0.255	50	10	BBGE	
COCCC1(C(=O)NCC=CB(O)O)CC1	1991335730	HHKWVCJPTZZZBT-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
C=C(CN1C[C@@H]2CCCN2C[C@@H]1C)B(O)O	1992154147	VJDJELQFHJIUEO-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1994707429	PBIUSBORORABKG-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
CCCCCC(=O)Nc1ncc(B(O)O)cn1	1996645218	HIQIRPGZMVMVNO-UHFFFAOYSA-N	237.068	-0.325	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1CCCCC1	1998131532	WCXUCIUZKAEVBC-MRVPVSSYSA-N	243.068	-0.391	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2001834740	IJSTXJJUWWJNDH-KNDBQHFLSA-N	239.319	-0.421	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](CN(C)C)C1	2003920826	AYEBFGLREODVCY-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCCCNC1=O	2004250886	YAMGJSSYWYANIJ-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H]1CCCN(c2ncncc2B(O)O)C1	2004920196	HUQNFRWIEOIEJL-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
C[C@H]1CC[C@H](C)N(c2ncncc2B(O)O)C1	2004921011	QFAYRAHZKOKGDC-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
CCCC1CN(c2ncnc(C)c2B(O)O)C1	2004974900	QTDRBQCGEBUKHT-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@@H](CC(=O)O)C1	2014432235	DJTKYWWNRDZXFK-JGVFFNPUSA-N	245.279	-0.216	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1COCCOC1	2014501177	WEDKCJYHKGSERJ-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC12CC(CO1)C2	2017761046	SPHSLSIGISFEKH-OWNCLDLKSA-N	239.319	-0.277	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)[C@@H](C)CO1	2019210941	OQHJALPADFJNEU-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
COc1cccc(C(=O)NCC=CB(O)O)c1	2020057100	RLIAWGJWMPROHU-UHFFFAOYSA-N	235.048	-0.007	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NCC=CB(O)O)C1	2020062310	PXCQEFOAYJBTEV-VIFPVBQESA-N	241.096	-0.124	50	10	BBGE	
CN1CCC[C@@H](Oc2ccncc2B(O)O)C1	2021067621	HMINKRDLJJUBOT-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
COC[C@H](O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)C(=O)NN	2026821073	RZHYAJTWAONAGV-LODLFUBHSA-N	238.287	-0.482	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cnc2c(N)ncnc21	2026859281	SQJWLMMJQPGICA-ZETCQYMHSA-N	249.278	-0.405	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CCCN[C@H]32)CC1	2033608881	TWXKXZPNQKJTJL-HBNTYKKESA-N	249.314	-0.139	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H]2C[C@H]2C1	2050243113	QWKWYLZMMAHWMD-IUCAKERBSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2OCC[C@@H]2C1	2052490877	FUNCQZCVWOPTBF-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(N2C[C@H]3[C@@H](C2)C3(C)C)ncc1B(O)O	2052557950	WDUQGBYCDJKJQW-DTORHVGOSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N2C[C@@]3(C)C[C@H]2CO3)ccc1B(O)O	2052624306	FACXZVMLIYOHHA-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
C[C@@H]1CC[C@H](n2cnc3c(B(O)O)ncnc32)C1	2055740006	JOYRVGMTERZRKM-SFYZADRCSA-N	246.079	-0.133	50	10	BBGE	
CCOc1c(C)cc(B(O)O)cc1[N+](=O)[O-]	2060033843	YHISVKMFAKWWHO-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
OB(O)c1ccccc1COCc1cncnc1	2080336405	JVRAWMDIYXPVFW-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
Cc1cc(F)c(C2OCCO2)c(B(O)O)c1	2081215993	ZSJBKENROXJTDZ-UHFFFAOYSA-N	226.012	-0.141	50	10	BBGE	
CC/C=C\CCOc1ncncc1B(O)O	2211607184	XVUDTSDJWYNHGT-ARJAWSKDSA-N	222.053	-0.109	50	10	BBGE	
CCOC1CN(CC2(C(=O)NN)CCC2)C1	2212249791	XYTFZLDIOCYLCV-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@H]2F)cc1B(O)O	2212603848	JUAHJGSMAJSSRJ-VXNVDRBHSA-N	224.044	-0.160	50	10	BBGE	
CC(C)CCCN=c1ncc(B(O)O)c[nH]1	2212612866	PRQZQDZPKKOOKC-UHFFFAOYSA-N	223.085	-0.574	50	10	BBGE	
CC(C)[C@@H](OC[C@]1(C)COCCO1)C(=O)NN	2216072971	KNLAVVBSPUMTIV-KOLCDFICSA-N	246.307	-0.177	50	10	BBGE	
OB(O)c1ccccc1OC[C@]1(F)CCOC1	2216336413	VYWUFIPSBGHPCD-NSHDSACASA-N	240.039	-0.126	50	10	BBGE	
CCNC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2217168554	VNPUDOSFJMZVDH-SECBINFHSA-N	238.096	-0.553	50	10	BBGE	
Cc1cnc(N2CCOC[C@@H]2C)cc1B(O)O	2217180295	GNVGPBMXAVQMKT-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1(CCO)CC1	2217180665	JCUGFHFNFUKPDY-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1cc(B(O)O)c(C)cn1	2217182165	ZYYISEQBOJOYTJ-WCBMZHEXSA-N	236.080	-0.483	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCO[C@H]32)nc1	2217182221	AQGMXYDMJBGIGE-IQJOONFLSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H](O)C2)c1F	2217182439	ASUCKQAPHJQVNU-LJGSYFOKSA-N	240.043	-0.917	50	10	BBGE	
CC[C@@H](Nc1ncccc1B(O)O)C(C)(C)O	2217183369	IFPMMUOBXPBHSA-SECBINFHSA-N	238.096	-0.277	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Oc1cc(B(O)O)ccn1	2217189067	XPKAPWLCWMTXGA-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
CCC[C@H](CCN)Oc1ccc(B(O)O)cn1	2217191751	KZIWOXHYQQMRBW-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncc[nH]1	2217196122	PNDOIROWHZDUEP-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCNC1	2217201841	RZORWXLXDDHKNU-LLVKDONJSA-N	235.096	-0.827	50	10	BBGE	
C=CC[C@H](CO)CNc1ncccc1B(O)O	2217205040	SFJVISPSRAXRFJ-VIFPVBQESA-N	236.080	-0.642	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC[C@H]2C2CC2)c1	2223630004	XOASEEQBHKMNSX-QWRGUYRKSA-N	248.091	-0.402	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ccn(C)n1	2223649548	ARALGUDJKRCWHD-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2c1ncccc1B(O)O	2223665307	FKFMTZNMKLJLHF-PEXQALLHSA-N	248.091	-0.889	50	10	BBGE	
NNC(=O)CCSC[C@@H]1CCCN1	2241325055	CEBLMDMZUNMNPB-ZETCQYMHSA-N	203.311	-0.148	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H](O)C1)N1CC(Cl)C1	2241330863	FEMVTSWGFMMEQQ-LJGSYFOKSA-N	240.712	-0.733	50	10	BBGE	
CN(CC(C)(C)F)C(=O)C#CB(O)O	2241467941	DSXWPDBRWXVRCO-UHFFFAOYSA-N	201.006	-0.792	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC=C[C@]1(C)CO	2242607918	CYBROZKWKLKULW-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
O=C(N1CCC[C@H](O)C1)C1(B(O)O)CCC1	2243348016	SDZIPDIEPLERSY-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
CC[C@H](C)N(CCOC)C(=O)C#CB(O)O	2243361638	DYFGMQJSTAWDKO-VIFPVBQESA-N	227.069	-0.725	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243396724	PWPFXYYPKATBGM-NKWVEPMBSA-N	223.041	-0.803	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)cc1O	2243401339	PPHNQRAURFHXOE-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(F)(F)C1	2243401803	WYKSHKBEZWOVNF-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)cc1F	2243408212	JFYUIGGZHJPGCY-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
COC[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2243413875	PBGXRQWZUIVBAY-UEJVZZJDSA-N	229.085	-0.362	50	10	BBGE	
C=CCS(=O)(=O)N1CCOCC[C@H]1N=C=O	2243982290	PQDDUROWGLHMHZ-VIFPVBQESA-N	246.288	-0.114	50	10	BBGE	
CON(CC(=O)NNC(C)=O)CC1CCC1	2245107698	XLTCHEQBDGFHCR-UHFFFAOYSA-N	229.280	-0.183	50	10	BBGE	
CNC[C@@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245913319	PNYHELOGSNZQDZ-ZCFIWIBFSA-N	244.487	-0.599	50	10	BBGE	
COc1cc(F)cc(NC(=O)C#CB(O)O)c1	2247744429	SMGMXYYGZKTMCB-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
C#CCC1CN(C(=O)c2ccoc2B(O)O)C1	2247746729	CQLVCZVXQQBPEF-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1[C@@H](CO)C2)C1(B(O)O)CC1	2247751643	ZVCCBGFUJJULNW-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCCC#N	2247761022	PTXYPOBLENMEJA-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
CCC(CC)CNC(=O)c1n[nH]cc1B(O)O	2247784342	SUIBARCGYNHTMK-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)C1CC(B(O)O)C1	2247793758	ZSANOUNXQXXXMA-QLEHZGMVSA-N	243.112	-0.095	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2247797478	JZUNFVNNMHDYEV-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
C=CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H](C)COC	2247799124	ZVMVXAVNZVWETE-OPRDCNLKSA-N	241.096	-0.101	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]2CC[C@H]21	2247799929	JNVVIMQZJXVYOS-RGOKHQFPSA-N	238.096	-0.846	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC(O)CC1	2247809289	OQMSUTIAPNULMX-YDYPAMBWSA-N	241.096	-0.389	50	10	BBGE	
O=C(NCC(F)(F)F)c1ccncc1B(O)O	2247872250	PIIUAOWYLOQGRY-UHFFFAOYSA-N	247.969	-0.947	50	10	BBGE	
COC(=O)CCCN(C)C(=O)C1(B(O)O)CC1	2247873543	DFNAXQGCMRZBJY-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
C[C@@]12CCC[C@@H]1C(=O)N2C(=O)C1(B(O)O)CC1	2247874104	JBUIPHVXTBHMIS-GMSGAONNSA-N	237.064	-0.079	50	10	BBGE	
O=C(N1CC[C@H]1c1ncon1)C1(B(O)O)CC1	2247877019	AOBIEGOCCMUECC-LURJTMIESA-N	237.024	-0.650	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)[C@@H]1C[C@@H]1B(O)O	2247888242	XLJJBYQHUFJJNT-ZBGLXGBJSA-N	239.080	-0.874	50	10	BBGE	
CO[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900431	WRMZVCGJPPCBFW-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCN[C@@H]2CC[C@@H]21	2247902315	FAZIIRFDOHUQGZ-BMNUFHGDSA-N	238.096	-0.798	50	10	BBGE	
C[C@H]1CNC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247904091	OSONMCHHWVHELB-SEZDTBSWSA-N	240.112	-0.646	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOCC12CC2	2247906255	XHBYXKKBSVEXKM-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
CN(CCCC(=O)O)C(=O)C1CC(B(O)O)C1	2248578483	UBNMVHDJPKXCDX-UHFFFAOYSA-N	243.068	-0.437	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2248968730	RCVPIQUGGAPRGU-MRVPVSSYSA-N	234.064	-0.626	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250698230	GJVXWOFNLWTYPT-PSASIEDQSA-N	238.096	-0.809	50	10	BBGE	
C#C[C@]12C[C@H](CCN1C(=O)[C@H]1C[C@H]1B(O)O)C2	2251016401	YWGKKEPRKAUISD-UXCLJVHYSA-N	233.076	-0.136	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1coc(B(O)O)c1	2255443738	DCUHSTYKQWCIEG-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1cncc(B(O)O)c1	2255515997	FRZUGORKZSJKLM-IUCAKERBSA-N	248.091	-0.226	50	10	BBGE	
C[C@H](CNC(=O)c1cncc(B(O)O)c1)C1CC1	2255522465	KEEAVCIWSRORMR-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
C=CC1(CNC(=O)c2cc(B(O)O)n[nH]2)CCC1	2255551988	FSTNOTZBDFVBOH-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
CC1=CCCC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2255554019	GUKJMBSBPXSJCN-SECBINFHSA-N	249.079	-0.682	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)c(F)cc1C	2258092911	VWCRQPBUIBRTMX-MRVPVSSYSA-N	249.050	-0.435	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2261387485	ZPUJFUKVMUYESQ-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2[C@@H](O)C[C@H]2C1	2298166151	XABFNPXDUVVNGN-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](O)C2(CCC2)C1	2298374919	FZOFAQXZSAWWEA-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCOC[C@H]1F	2298377038	BORMLCORVSLUHL-FNCVBFRFSA-N	245.059	-0.565	50	10	BBGE	
CC[C@H]([C@@H]1CCCCO1)N(C)C(=O)C(=O)NN	2300298338	IPZAGASIMVHTLG-BDAKNGLRSA-N	243.307	-0.218	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1OCCOC1(C)C	2300925348	BHYSGIXYEIPUIZ-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)CC12CCC2	2300959214	ODXQAWSQFIVJKL-UHFFFAOYSA-N	239.275	-0.649	50	10	BBGE	
NCC=CCOc1ccc(C=O)c(B(O)O)c1	2301423944	ZHMCCKQVYQEODJ-UHFFFAOYSA-N	235.048	-0.927	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC=CCO1	2301817490	HHUGSPIIOIOVGC-FXPVBKGRSA-N	239.080	-0.299	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2OC	2302208638	XIDOSACFIQKWIG-RGOKHQFPSA-N	243.307	-0.900	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCOC2)ncc1F	2303851038	YOSCWHNNVLEFCF-ZETCQYMHSA-N	241.027	-0.684	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2nccn2CC1	2315472089	DORONKGBNQSJKK-RKDXNWHRSA-N	249.079	-0.869	50	10	BBGE	
C#C[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)CC1	2316607796	JBIAMULNHAPRKL-HAQNSBGRSA-N	247.103	-0.052	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@@H]2COC[C@@H]21	2317161171	BLOHRIBGIPNVCJ-SKDRFNHKSA-N	244.059	-0.927	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC(O)CC1	2317163740	RKFSCGRBYSCXPP-UHFFFAOYSA-N	246.075	-0.801	50	10	BBGE	
Cc1nccnc1C(=O)N1CC[C@@](C)(B(O)O)C1	2319672736	VEULKPJVMVYRPW-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
CCCCn1nc(C(=O)NN)ccc1=O	37387982	KQPNHFZZSWBSAJ-UHFFFAOYSA-N	210.237	-0.353	50	10	BBGE	
N[C@H]1CCN(CC(=O)NNc2ccccn2)C1	50243468	IICUPPUEDYCPSD-VIFPVBQESA-N	235.291	-0.442	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@@H](C)Cl	58846400	OUIKKWGMZPQIRL-ZCFIWIBFSA-N	209.673	-0.137	50	10	BBGE	
CSCC(=O)NNC(=O)[C@H]1CCCO1	75941989	IFKPEWDPQCEBGT-ZCFIWIBFSA-N	218.278	-0.324	50	10	BBGE	
Cn1nc(C(C)(C)C)cc(C(=O)NN)c1=O	82451663	LFRSRIMBNSQGGN-UHFFFAOYSA-N	224.264	-0.319	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nccn1C	82469270	LFBCXWWJGNXUCO-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1CO	86313593	YZACHMYUWCMMHK-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
N#Cc1nccn1Cc1cc(C(=O)NN)no1	94940815	BTKNUHXIQVLNHC-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
N#Cc1nccn1Cc1cc(C(=O)NN)co1	94940829	PLPKUBFIHXDKGT-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
O[C@@H]1[C@@H](Cl)[C@H](CCl)O[C@@H](O)[C@@H]1O	105286696	ZIBMGOYQTGGDCE-HGVZOGFYSA-N	217.048	-0.728	50	10	BBGE	
O[C@@]1(CCl)CO[C@](O)(CCl)CO1	137489732	JTQPEJDPXBJUPM-PHDIDXHHSA-N	217.048	-0.112	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(O)CCOCC1	162493025	VHRJNOZNYHHRRM-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
COC(=O)c1ccc2cccc(B(O)O)c2n1	203804017	UVZKCTBUWCIEKV-UHFFFAOYSA-N	231.016	-0.299	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](O)C1	211858944	WCKMZQJIBYKMPL-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](O)C1	216482538	YYEYOHLRIFZXRF-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)[C@H](O)C1	227259945	NAALNUFAQRQMPE-KNVOCYPGSA-N	207.657	-0.431	50	10	BBGE	
CN(C)C[C@@](C)(O)CNC(=O)CCl	227941273	QJFIJNHROQGLNG-QMMMGPOBSA-N	208.689	-0.346	50	10	BBGE	
COc1cc(F)c([C@@H](N)C(=O)NN)cc1F	259063962	XBPCHZLOSKEKJE-MRVPVSSYSA-N	231.202	-0.037	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)C(C)(C)O)cnn1	277977926	OERCBKBNJZEAPY-UHFFFAOYSA-N	238.247	-0.683	50	10	BBGE	
CS[C@H]1CCCN(CC(=O)NN)C1	307245475	WCLKRUZJASNFIV-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1COC[C@@H]1O	307493822	AZJZOLNEWWFFAB-VQVTYTSYSA-N	207.657	-0.263	50	10	BBGE	
Nc1csc2c(B(O)O)c(O)ccc12	307498048	OYRZATBTIZNSTK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCCl)o2)C[C@H]1O	316518362	OCIBDWMIIWDVCG-RNFRBKRXSA-N	247.682	-0.360	50	10	BBGE	
NNC(=O)c1csc(Cn2cncn2)n1	328399077	MCYDZURGALCDRJ-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
OB(O)c1cnn(CCC(F)(F)F)c1	382741477	OAKQGRBRKHNPMH-UHFFFAOYSA-N	207.948	-0.485	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1CCO	388728515	YKGMUDPPXYVBQO-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
Nc1cc(B(O)O)c2ccsc2c1C=O	396277935	USHYWJCSTDKXBN-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1cc(B(O)O)cc2scc(O)c12	396386103	QQFPHVQTQPIVSP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CC(C)(C)C(=O)NN	399428726	QIPQFYHSOXQECI-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=C(NCc1sccc1B(O)O)C1CCC1	404917561	QLAADJGVRGOHTM-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1CCOC1	404998208	IBYDAGJJHFAQPP-JTQLQIEISA-N	249.075	-0.981	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ncccc2F)CO1	495759357	ARMPCONWGXBJCY-LURJTMIESA-N	240.194	-0.228	50	10	BBGE	
CN1CCN(S(C)(=O)=O)[C@H](CCl)C1	575459707	IEVJVOBEGXDGAW-SSDOTTSWSA-N	226.729	-0.199	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](NC(N)=O)C1	690796039	PZMOUJMENLDMRU-PHDIDXHHSA-N	219.672	-0.117	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CCN(C)C	695104014	XNRFUADYEVPIKS-JTQLQIEISA-N	230.356	-0.116	50	10	BBGE	
C[C@H](NC(=O)CBr)[C@H](O)CO	698872596	LIKABDCTLCRUPU-CRCLSJGQSA-N	226.070	-0.761	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(C)COC1	705803485	YKFQTUVZIJVEEJ-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
CC[S@@](=O)N1Cc2ccc(B(O)O)cc2C1	707891577	GTPHGYAZDBFSPY-MRXNPFEDSA-N	239.105	-0.634	50	10	BBGE	
C=CCCS(=O)(=O)N1CCOC[C@H]1N=C=O	710934001	KOSATWZOPLVSRT-VIFPVBQESA-N	246.288	-0.114	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C=CS[N]1	725711717	RSBDPQQIDQESNF-VIFPVBQESA-N	249.080	-0.547	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCC12OCCO2	773698768	CHBZXVSJNNRTKB-MRVPVSSYSA-N	228.248	-0.303	50	10	BBGE	
CC(C)OC(=O)NNC(=O)CCCC(N)=O	844149177	HQPPQEDUBFMXOD-UHFFFAOYSA-N	231.252	-0.192	50	10	BBGE	
CCON(C)C(=O)CNS(=O)(=O)CCl	846005084	XPAQGLJCPNEFPU-UHFFFAOYSA-N	244.700	-0.488	50	10	BBGE	
CC1(Cn2ccc(B(O)O)n2)CCOCC1	886066767	UAMHFYJBXXEGOE-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
O=C(CO)NNC(=O)[C@]12C[C@H]1COC21CCC1	897605104	BKNYWOWOOXBPBP-CPCISQLKSA-N	240.259	-0.915	50	10	BBGE	
Cc1nccc(C(=O)NNC(=O)c2cn[nH]c2)n1	1131737668	GCKRCODSJHVKGM-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
COCCCNC(=O)NNC(=O)C1CC(=O)C1	1292130295	FLOFEGSDAQLYQU-UHFFFAOYSA-N	243.263	-0.668	50	10	BBGE	
CCNC(=O)NNC(=O)c1n[nH]cc1F	1292131035	OVTQBILGAXBNMU-UHFFFAOYSA-N	215.188	-0.487	50	10	BBGE	
NC(=O)C(=O)NN=C1CCCc2c[nH]nc21	1323267238	OCWRTLWJIGNKFD-UHFFFAOYSA-N	221.220	-0.948	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)c1ccnnc1	1557069671	UFRTVTBZMXZXOF-MRVPVSSYSA-N	238.247	-0.746	50	10	BBGE	
O=C1CCC[C@H](C(=O)NNc2ccncn2)N1	1635933638	BGRKJBYIUSRJHG-SSDOTTSWSA-N	235.247	-0.412	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)Cc1cc(C)[nH]n1	1639991096	UYUIJPGBIAFRNG-MRVPVSSYSA-N	249.274	-0.042	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1cnsn1	1686484354	CNLYIWXOVXKZAB-UHFFFAOYSA-N	243.248	-0.400	50	10	BBGE	
C[C@]1(O)CN(C(=O)CCl)CC[C@@H]1O	1883995427	FKULRSHERFPIIF-XPUUQOCRSA-N	207.657	-0.431	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@H]2OCCC[C@@H]21	1884454270	UFRCRGFVBUBVHL-PRJMDXOYSA-N	200.238	-0.976	50	10	BBGE	
NNC(=O)CCN1C=CS(=O)(=O)C=C1	1884488013	PEQHPFYXFAKFCZ-UHFFFAOYSA-N	217.250	-0.961	50	10	BBGE	
NNC(=O)CN1CCC12CC(CF)C2	1885780200	DBGQVLRQRQPPOT-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
C[C@@H](CCCl)C(=O)N[C@H]1CONC1=O	1885940006	ZEIKWFKYMVFOGK-WDSKDSINSA-N	220.656	-0.202	50	10	BBGE	
NC(=O)NCC1CN(S(=O)(=O)CCl)C1	1887053421	LHDBIKKSLLVSTQ-UHFFFAOYSA-N	241.700	-0.887	50	10	BBGE	
O=C(F)N[C@@]1(C(=O)O)CCS(=O)(=O)C1	1887188988	YJRXFBWELIJABO-LURJTMIESA-N	225.197	-0.693	50	10	BBGE	
C#Cc1cc(B(O)O)cc(C(=O)OC)c1	1887510858	RGQOEYHODURKIN-UHFFFAOYSA-N	203.990	-0.866	50	10	BBGE	
O=S(=O)(CCOCCCl)NN1CCC1	1889188025	QMTJKJOCDUAJQC-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCO1	1892436371	OOEOQLWPNHMYPA-UHFFFAOYSA-N	201.226	-0.819	50	10	BBGE	
O=S1(=O)CCNN(C[C@H]2C[C@@H]2Cl)CC1	1893119715	QETKHZTXMSIELG-SFYZADRCSA-N	238.740	-0.151	50	10	BBGE	
COc1cc([C@@H](N)[C@@H](O)C#N)c(OC)nn1	1894490722	BRVBPENFSAGJLD-POYBYMJQSA-N	224.220	-0.622	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1895229347	POCRWCJNHGKWGY-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSC[C@@H](O)CO)C1	1895941075	LQUUPVZWBZENBF-YIZRAAEISA-N	248.348	-0.521	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@@H](C)C(=O)NN)C1	1896542794	HHLICWBBNTVPLR-IWSPIJDZSA-N	233.287	-0.329	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@H]2C[C@H]21	1900466113	BBLZADBXAWAPBB-CAHLUQPWSA-N	238.077	-0.943	50	10	BBGE	
Cc1cc(CN2CC[C@@H](B(O)O)C2)ncn1	1902511414	GGPSLBOJOZAXHI-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@H](B(O)O)C2)no1	1902517437	IRHHLEZUWXAPOU-LURJTMIESA-N	225.013	-0.933	50	10	BBGE	
CC[C@H](OC)C(=O)N1CC[C@](C)(B(O)O)C1	1902521269	GBQMWKRDPSKCED-WPRPVWTQSA-N	229.085	-0.123	50	10	BBGE	
OB(O)c1cc(=NCC2CCC2)[nH]cc1F	1903005026	BFUMVVUVCQVJGI-UHFFFAOYSA-N	224.044	-0.466	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@H](C(=O)NN)C(C)C	1916836518	CWGWUDUULHEHEJ-SFYZADRCSA-N	230.312	-0.933	50	10	BBGE	
CN(CCF)Cc1ccccc1B(O)O	1917269632	UAGCTOOPWFBQIU-UHFFFAOYSA-N	211.045	-0.232	50	10	BBGE	
COCC#CC(=O)NNC(=O)C(F)(F)F	1923412138	CVJGZYOXMUPCMB-UHFFFAOYSA-N	224.138	-0.654	50	10	BBGE	
CC(NNC(=O)C(F)(F)F)=C(C#N)C(N)=O	1923424067	LITHBEMMNAVCBD-UHFFFAOYSA-N	236.153	-0.548	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(C(F)F)C1	1925165246	UTPSQGBTCXZKMF-UHFFFAOYSA-N	221.207	-0.616	50	10	BBGE	
CCOC(=O)CSC[C@H]1C[C@@H]1C(=O)NN	1927918385	RTFHTLPNIHAAFZ-RQJHMYQMSA-N	232.305	-0.091	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)[C@@H]1CO	1929742810	ZAXQZEJJQLWWQB-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
CC[C@@]1(C)CN([C@@H](C)C(=O)NN)CCO1	1932354298	CWCXNXMHRQEZNP-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
Cc1scnc1CNC(=O)C(=O)NN	1932390298	AGGLZORFOYSHMT-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC(=O)NN	1932477045	CLTRDRZIHGIMEU-NKWVEPMBSA-N	235.309	-0.485	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1Cl)c1cnn[nH]1	1933388878	IUANOFADKPCEGF-RITPCOANSA-N	230.655	-0.212	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NNCCO)C[C@H]12	1935449994	NNSIMNUGUKAZEL-BHNWBGBOSA-N	200.238	-0.976	50	10	BBGE	
Cc1cccc(=O)n1C[C@@H]1C[C@@H]1C(=O)NN	1936080037	ICGFDJSHYQTGFL-IUCAKERBSA-N	221.260	-0.217	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COC[C@H]2CCl)n1	1937181519	KFKFOEYDLNMTJB-SVRRBLITSA-N	244.682	-0.201	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COC[C@@H]2CCl)nn1	1937184247	XMHFRZLBZHHLSQ-XPUUQOCRSA-N	244.682	-0.201	50	10	BBGE	
C[C@H]1CCO[C@H]1CCn1cc(B(O)O)cn1	1940044757	MLJVDWQAJHPIJH-WPRPVWTQSA-N	224.069	-0.622	50	10	BBGE	
CCCNC(=O)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1941086494	IXPLMVLENFCDOJ-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCO[C@H]1CCOC1	1941095139	SUZMKGHGAYJYKP-LPEHRKFASA-N	244.291	-0.566	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1946257236	OLORKRIXMPUVGB-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(CO)CCN1Cc1cc(C(=O)NN)no1	1947986395	TZZPWAWPHDFCHG-SNVBAGLBSA-N	240.263	-0.765	50	10	BBGE	
COc1ncc([C@H](N)[C@H](O)C#N)cc1[N+](=O)[O-]	1952957041	SHOXSHLGEAQQQR-SFYZADRCSA-N	238.203	-0.117	50	10	BBGE	
C[C@@H](CN)SC[C@@H]1C[C@H]1C(=O)NN	1954402570	OEIVPCKHTIBMAC-LYFYHCNISA-N	203.311	-0.307	50	10	BBGE	
C[C@H](CBr)CN1CC(=O)NC(=O)C1	1954822720	TYMAJZHETBATLL-ZCFIWIBFSA-N	249.108	-0.024	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1CCl)C1CS(=O)(=O)C1	1955094412	CMSIXZWWQDERNG-IYSWYEEDSA-N	237.708	-0.226	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)[C@H](CO)C1	1957316019	ASNZMEIELKCKRV-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
CSCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1958881343	NXLSPRGHDCANLP-DTWKUNHWSA-N	229.349	-0.093	50	10	BBGE	
CCC1(F)CN(c2nc(B(O)O)cs2)C1	1961717678	DTXSKBNRAHJYAX-UHFFFAOYSA-N	230.073	-0.239	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ncccc1B(O)O	1961777513	IZIJPNYPRPFNTK-CBAPKCEASA-N	206.054	-0.394	50	10	BBGE	
Cc1nn(C)c(=O)n(C[C@H](Cl)C#N)c1=O	1962479010	QQEMCJXPUMGATF-ZCFIWIBFSA-N	228.639	-0.619	50	10	BBGE	
O=C(c1cnns1)N1CCC(B(O)O)CC1	1964500219	IBUQYODVOWNAEG-UHFFFAOYSA-N	241.081	-0.383	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ncon1	1976755254	HWYJAXPBISMTIW-QMMMGPOBSA-N	227.268	-0.484	50	10	BBGE	
NNC(=O)CCN1CCC([C@H](F)CO)CC1	1977994242	OQMJUFQHSXKAOK-SECBINFHSA-N	233.287	-0.591	50	10	BBGE	
COc1cc(CNC(=O)NN)cc(OC)n1	1979602266	QKRCRGVELBCPFY-UHFFFAOYSA-N	226.236	-0.228	50	10	BBGE	
C[C@@H](CN=[S@@](C)(=O)N1CCCC1)C(=O)NN	1979784079	FPYUHVYSVFNPMH-ZKANADHPSA-N	248.352	-0.279	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@@H]2C[C@H]21	1980228565	MPNPTLZTMBCPRP-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
CCCN(C[C@H](O)CCl)[C@@H]1CC(=O)NC1=O	1981041239	NGXOTFCTRINEDL-HTQZYQBOSA-N	248.710	-0.287	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3C[C@H]32)c1B(O)O	1981408944	HCJGYLRESXJILZ-RKDXNWHRSA-N	218.065	-0.332	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ncccc2B(O)O)C1	1981423975	MDLKIPHDKZPHHE-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]3C2)c(B(O)O)c1	1981468735	HQWNLMZMPDUJPZ-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
COCCN(C)c1ncc(C)cc1B(O)O	1981469574	VFMVWBRQTAUDDV-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)[C@H](C)CO1	1981472416	QFMZZMCWUNUEDI-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
Cn1cnc2sc(C(=O)NNC(N)=O)cc21	1982501360	ZJZRFPFVNZXGHO-UHFFFAOYSA-N	239.260	-0.052	50	10	BBGE	
CC[C@@H](O)CN(C)CCC(F)(F)C(=O)NN	1984133184	ZLDIXLIUMZFYGD-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CCN(CCO)C[C@H]1CC[C@@H](C(=O)NN)C1	1985358083	WGPUMBCSSAYHCG-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990039983	XWQMCHLZQYOCJA-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CCP(C)(=O)CC1	1990772092	GEKVBFBQHZUWAI-UHFFFAOYSA-N	247.235	-0.538	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1990772461	JZGRBJZTBSPIQR-XKNYDFJKSA-N	223.276	-0.506	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)c1ccccc1	1991329648	JIRBDOOOBANMKO-UHFFFAOYSA-N	241.077	-0.467	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)C(=O)N1CCNCC1	1991432772	MRQYVLGNCJNNSD-SFYZADRCSA-N	245.710	-0.838	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1991676801	DFJKORKBZBTCOZ-FWWHASMVSA-N	246.694	-0.548	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1[C@@H]2COC[C@H]1C2	1992321348	ZSXDFHIKDFZXAE-HRDYMLBCSA-N	227.308	-0.136	50	10	BBGE	
Cc1nn(C[C@H]2OCC2(C)C)c(C)c1B(O)O	1998270425	LEGZMZWKGOUNMZ-SECBINFHSA-N	238.096	-0.395	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@H](C1)C2O	2002476644	BSLAYLJMDKHJQO-SJWJCTCFSA-N	239.319	-0.685	50	10	BBGE	
CON(c1ncncc1B(O)O)C1CCCC1	2004916927	RPHDRNXYIWPCGP-UHFFFAOYSA-N	237.068	-0.533	50	10	BBGE	
C[C@@]12CC[C@@H](CN1c1ncc(B(O)O)cn1)C2	2004918752	PIUMRMBVOOAJRE-KCJUWKMLSA-N	233.080	-0.465	50	10	BBGE	
CCN(CCN(C)C)c1ccncc1B(O)O	2004938132	ABFZLRDPGLKQFZ-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CCC[C@H]2C1	2004938544	FGLINDWCRKTYNI-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C2(CCCC2)C1	2006028671	CEVOTVQYIYQUOW-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)C1CC(O)C1	2010835346	NMZVCDFGCHNXCB-IZUQBHJASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012899433	FZBZEOHDPBQRJX-OGBGREFGSA-N	241.335	-0.296	50	10	BBGE	
CC[C@](C)(CN(C)[C@H](COC)C(=O)NN)OC	2013417762	MRVBOFSFXFOLEK-MWLCHTKSSA-N	247.339	-0.262	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C2(CC2)C(=O)N1	2014890584	YSXLFHPPPSBALD-HTQZYQBOSA-N	240.307	-0.892	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	2015194575	NWTUEIUBWWCQQK-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H]2CCC[C@@H]21	2019210269	NFUKPZOEWQKKHJ-UWVGGRQHSA-N	241.291	-0.593	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)cc1O	2020068694	UTNNYNKITRSGLS-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
Cc1cc(O[C@@H]2CCN(C)C2)ncc1B(O)O	2021068377	OQWHKEOEXZFFEG-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(OCCCO)C1	2026044131	BBSWWRSAZQDDES-JTQLQIEISA-N	245.323	-0.916	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1C[C@H]2C[C@H]2C1	2040767081	MTXKAHRMIRVQHA-OCAPTIKFSA-N	247.063	-0.755	50	10	BBGE	
CCOc1c(B(O)O)c(C)nn1CC1CC1	2059958188	WAUQJRTYCJPEEH-UHFFFAOYSA-N	224.069	-0.320	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(OC)c1B(O)O	2060055208	OONZNEJTFUOEQS-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(F)cc([N+](=O)[O-])c1B(O)O	2060093270	ROGVOMFQXOMXJV-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCOc1cc(F)c(OC)c(B(O)O)c1	2060117506	RPCJTXNRPTVPRX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1cc(C=O)c(OC(F)F)cc1B(O)O	2060270672	GJXCXSBJIUYLBU-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)c(C)n1	2069481391	UUIZEAMTLMAHRS-SFYZADRCSA-N	249.079	-0.551	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1	2079009350	QRKPGPILBAEFSM-WVSHTKLVSA-N	243.071	-0.492	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2079011996	MTXLMRDXYIGKBX-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@H]1C(F)(F)F	2210157023	DTXRNMZCAOUIDV-RFZPGFLSSA-N	239.197	-0.319	50	10	BBGE	
O=C1CN(C[C@@H]2CO[C@H]3C[C@@H]2C3)CC(=O)O1	2210727996	YQIRZVXEWYNOAY-HLTSFMKQSA-N	225.244	-0.203	50	10	BBGE	
OB(O)c1cccnc1NCCOC1CC1	2212615201	LGIPUTDXLVIFLZ-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CO[C@H]1CN2CCC1CC2	2214581643	LSDQRGKEEUCVIF-VWYCJHECSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@H]1CC[C@H]1C(=O)NN	2215776308	LYELXMVYIIMXBE-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccc(NC[C@H](O)C(F)(F)F)nc1	2217172570	LONDIKJYRNCNTF-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
OB(O)c1cnc(Nc2cncc(F)c2)nc1	2217173387	QCEIRAZRTRZFPP-UHFFFAOYSA-N	233.999	-0.566	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)C(C)(F)F	2217174126	WGHGZFQUGVNLEP-ZCFIWIBFSA-N	245.038	-0.719	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCC[C@@H]2O)c1	2217179346	JPOYMBXCKWBLHO-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(NCC2(CO)CC2)cc1B(O)O	2217184408	SJDWWLXNYSKUKH-UHFFFAOYSA-N	236.080	-0.746	50	10	BBGE	
CC[C@H](C)[C@@H](N)COc1ccc(B(O)O)cn1	2217187668	CCDCMQZGXKJDRX-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1cc(B(O)O)ccn1	2217200928	VXPZQXWBXVTPOV-KWQFWETISA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2CNC[C@H]21	2223624433	FABSSJMVKIDDFE-IQJOONFLSA-N	248.091	-0.862	50	10	BBGE	
CNC1(C)CCN(c2ccc(B(O)O)cn2)CC1	2223632266	HPFLFMSTTMDGPZ-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ncccc2B(O)O)[C@H]2C[C@H]21	2223639494	RMUWSASUSVYRQY-KBIXCLLPSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC2(CC2)CO1	2223639590	SGEDQSBXNAVILB-SECBINFHSA-N	248.091	-0.258	50	10	BBGE	
CC1(C)NCC[C@H]1CNc1cc(B(O)O)ccn1	2223641083	PPYXNYUGPUCODU-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CC3(CC3)CN2)c1	2223664268	WYONAKNACKDMJS-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223678766	HSLKGDGNYNGXBM-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
O=S(=O)(N[C@@H]1CCOC1)N1CC(Cl)C1	2241330774	DRQOMBOOABMZDS-SSDOTTSWSA-N	240.712	-0.467	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CS[C@@H]1CCNC1	2241942105	RXSZGZYEKSRUKJ-PRJMDXOYSA-N	215.322	-0.293	50	10	BBGE	
NCC1(CCNC(=O)C2(B(O)O)CC2)CC1	2243363415	GNLAOJPEOKBLED-UHFFFAOYSA-N	226.085	-0.761	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243391467	KZRRXOYAAPMXDT-CIUDSAMLSA-N	229.085	-0.628	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243395841	COYMZTZMDGTSGH-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CC1)[S@@](C)=O	2243411378	SDXVZVMAHNTECT-HYORBCNSSA-N	247.125	-0.733	50	10	BBGE	
C=C(CS(=O)(=O)N[C@]12CCC[C@@H]1C2)B(O)O	2243412139	HKZPHKJDRSNUQK-BDAKNGLRSA-N	245.109	-0.583	50	10	BBGE	
CC1=CCN(C(=O)c2sncc2B(O)O)C1	2243414643	FPXOZYVTUNEPPK-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@H](C)[C@H]1C)B(O)O	2243419796	GYQCANBOCVJCEV-NBEYISGCSA-N	247.125	-0.482	50	10	BBGE	
O=C(NC[C@H]1CCCO1)[C@H]1C[C@H](B(O)O)C1	2243427256	SJIRJXYWNOOACF-IWSPIJDZSA-N	227.069	-0.465	50	10	BBGE	
C=C(CS(=O)(=O)NCCC1(C)CC1)B(O)O	2243432615	BQZFUEXVVGEDIJ-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
OCC1(CO)C[C@H](N[C@H]2C[C@H](Cl)C2)[C@H](O)C1	2244013153	YJADRSBMRNTXMJ-AATLWQCWSA-N	249.738	-0.160	50	10	BBGE	
C[C@]1(N=c2[nH]nc(CCCl)o2)CCNC1=O	2245152020	RGDBMBMTYOJHHA-VIFPVBQESA-N	244.682	-0.037	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C2CCC1CC2	2247743820	JWWBQFCKAKCQHQ-UHFFFAOYSA-N	234.064	-0.539	50	10	BBGE	
O=C(N1C[C@H](O)C[C@@H](F)C1)C1(B(O)O)CCC1	2247758221	UNSJMTAAHFIXSN-HTQZYQBOSA-N	245.059	-0.685	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2247770299	NYHJQHXDYKZWCH-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CCCC=CCNC(=O)c1n[nH]cc1B(O)O	2247782859	YHFKZGNCNISJHV-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H](C)O1	2247787667	RYJSHSPEMMFYOL-YNFQOJQRSA-N	241.096	-0.125	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCN1	2247790277	GLFHCWWJPKOAQG-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
C=CCN(CCOC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797741	MNFKCQSDAYMHON-MGCOHNPYSA-N	241.096	-0.100	50	10	BBGE	
CCCc1cc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)[nH][nH]1	2247808515	LHRCCDCJWNQUHN-SFYZADRCSA-N	237.068	-0.415	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247809568	ZQUSWTPMBWOTHN-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccoc1B(O)O	2247847654	ZWROQOUZQDXLNW-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
O=C(Nc1ccncn1)c1csc(B(O)O)c1	2247866543	OATUHTPGNVAMCB-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCC2=O)c1	2247873479	BVEZBYBQJPGREX-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC[C@H]2C)oc1B(O)O	2247892228	WMRBJVIRHZJAMD-SVRRBLITSA-N	237.064	-0.204	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247895021	NFQQXOOUCLVSLG-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
CC(C)(CO)CCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247897202	PLGJTPQUMOSPPR-BDAKNGLRSA-N	243.112	-0.236	50	10	BBGE	
C#CCN(C)C(=O)Nc1cccc(B(O)O)c1	2247971619	OETNSBMWMMEYJF-UHFFFAOYSA-N	232.048	-0.537	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248576490	KNTUKLDNZIEGEW-DAGMQNCNSA-N	241.052	-0.924	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1CC[C@@H](O)C1	2249343499	PZWJCQSRDOEDOY-SECBINFHSA-N	242.084	-0.888	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=C[C@@H]1CF	2249424346	RERDFEBWAFRGSN-SSDOTTSWSA-N	239.011	-0.691	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1cocc1B(O)O	2249431592	QJEXCBFHSLKNSY-MATHAZKKSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1ccncc1B(O)O	2255458742	VXLQPYXYZNXZBJ-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
COc1ccncc1CN(C)C(=O)C#CB(O)O	2255459273	DPAWXRQNSBSEAE-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cncc(B(O)O)c1	2255528327	AGVQWQQAZMNMHT-SECBINFHSA-N	246.075	-0.849	50	10	BBGE	
Cc1ccc(NC(=O)c2c[nH]nc2B(O)O)cn1	2255547902	PQBGGFYJSAOMIR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C#CCCCN(C)C(=O)c1ncccc1B(O)O	2255714511	REGMAGWRIIFVQV-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C#CCC1(NC(=O)c2coc(B(O)O)c2)CCC1	2255724609	PVIAVZXNZJOYMQ-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2255725065	JYCRQZUFJPOKJS-SECBINFHSA-N	246.075	-0.591	50	10	BBGE	
NCc1cccnc1NC(=O)C1(B(O)O)CCC1	2255746712	XMUOSMOSBCOCCY-UHFFFAOYSA-N	249.079	-0.124	50	10	BBGE	
N#CC1=CCN(C(=O)c2cocc2B(O)O)CC1	2258122562	DGXWDIHFKFLBMO-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
COC[C@@]12C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368961	DNXMYLYJRUTUDE-DKIAZLNASA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)[C@H]1C[C@H]1B(O)O	2298369384	SJMDQJHFLPVMBY-HDBWYCHPSA-N	239.080	-0.875	50	10	BBGE	
C[C@H]1CN(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370870	PKDMVVFJIHJYLQ-IVZWLZJFSA-N	240.112	-0.741	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2298371895	YXNKVIXAIQDDRV-AATLWQCWSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]1C(=O)O)[C@H]1C[C@H]1B(O)O	2298463641	PVKAOUPFISJKPK-FKSUSPILSA-N	241.052	-0.924	50	10	BBGE	
C[C@H](N)[C@H](C)Oc1ccc(B(O)O)cc1C#N	2301341970	VANNDINBBJJOTF-YUMQZZPRSA-N	234.064	-0.647	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2N(C)C	2302402564	YTNVOBIBONPIQL-UKKRHICBSA-N	240.351	-0.221	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	2303115421	UDCVWZARXGHCLO-DTWKUNHWSA-N	241.096	-0.266	50	10	BBGE	
CCC[C@H](CN)Oc1cc(B(O)O)c(F)cn1	2303848586	BBUUXUDLCSWWIX-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N(C)C(C)=O)C1	2307910692	ZAZACDQSNLFKLT-JTQLQIEISA-N	242.323	-0.693	50	10	BBGE	
OB(O)c1ccnc(OCC23CC(CCN2)C3)c1	2314963633	CLMHTVXGVIFSDP-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1c1ccc(C=O)c(B(O)O)c1	2317306650	QUSNIAFLEWUMDP-PELKAZGASA-N	249.075	-0.862	50	10	BBGE	
C#CC[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2320792701	JBISTUQUDPMYII-VIFPVBQESA-N	248.066	-0.250	50	10	BBGE	
N[C@H](CS(=O)(=O)CCCl)C(=O)O	34156561	UAYZYHMNGSDRHR-SCSAIBSYSA-N	215.658	-0.948	50	10	BBGE	
C[C@@H](CNCc1ccccn1)C(=O)NN	58848859	BGOFTZRZXXTORK-QMMMGPOBSA-N	208.265	-0.203	50	10	BBGE	
NNC(=O)C(=O)N(CC1CC1)CC1CC1	70064509	HMPUPHKSCHBEJF-UHFFFAOYSA-N	211.265	-0.375	50	10	BBGE	
CN1CCCN(CCC(=O)NN)CC1	82466507	NPNIGLZDYDZAFE-UHFFFAOYSA-N	200.286	-0.996	50	10	BBGE	
C[C@@H](Sc1nnc(N)s1)C(=O)NN	82472888	YHJBNYIPRJYSAF-UWTATZPHSA-N	219.295	-0.409	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCOC[C@@H]1N=C=O	83919667	QGYSDGVERABKBW-HTQZYQBOSA-N	245.260	-0.778	50	10	BBGE	
C[C@H]1C(=O)N(CCC(=O)NN)C(=O)[C@@H]1C	86017252	LXJSAOXWGRZWOH-PHDIDXHHSA-N	213.237	-0.993	50	10	BBGE	
O=C(O)C[C@H](C(=O)O)[C@H]1CC(=O)OC1=O	113971397	OKFOVURIUHKBLY-IUYQGCFVSA-N	216.145	-0.748	50	10	BBGE	
CCCN(CC(=O)O)C(=O)NN(C)C	149049788	UMZUSLSEDJWGKF-UHFFFAOYSA-N	203.242	-0.031	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H](CO)C2)on1	163068509	RCCBNCYKOFQLSJ-SSDOTTSWSA-N	240.263	-0.908	50	10	BBGE	
O=C(CCCl)NC(=O)NCCn1ccnn1	163919156	BOGXNLPKOGURPC-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
N[C@](CCCCB(O)O)(C(=O)O)[C@@H]1CCNC1	203707119	VSMNBLJMRLYUTE-SCZZXKLOSA-N	244.100	-0.979	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)[C@@H](C)Cl	227260515	HKHWDJXIJSNBEJ-UHNVWZDZSA-N	209.629	-0.736	50	10	BBGE	
CO[C@@]1(C)CCCN(CCC(=O)NN)C1	230294359	HXIYDRILBOJTDJ-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
COC[C@@H](Sc1ncns1)C(=O)NN	232421822	DLBSAXZADTUSGG-SCSAIBSYSA-N	234.306	-0.365	50	10	BBGE	
CC(C)C1CCN(C(=O)C(=O)NN)CC1	232579793	KZZNMSLIOSYETA-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
NC(=O)[C@H]1CCN(S(=O)(=O)CCCl)C1	236205815	PKGJVKWGAHOUET-LURJTMIESA-N	240.712	-0.638	50	10	BBGE	
O=C(CCl)NNC(=O)C1CCOCC1	253178986	AEMMZTWUUMPRAW-UHFFFAOYSA-N	220.656	-0.201	50	10	BBGE	
CN1CCC[C@@H]([C@H](N)CC(=O)N(C)N)C1	258962801	CFSNJRRYEJLPRT-RKDXNWHRSA-N	214.313	-0.622	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@H](O)C1	299906577	HFBDVMUHMXFPKM-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
O[C@H]1O[C@H]([C@@H](Cl)CCl)[C@@H](O)[C@H]1O	307496181	CGPKCWFLSGBABQ-YJRYQGEOSA-N	217.048	-0.728	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CCCC(=O)NN	308841746	NPNLCJCJTHPHQB-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
COCC(COC)O[C@H](C)CCC(=O)NN	309416131	WDYGNVVMLBWSOE-MRVPVSSYSA-N	234.296	-0.177	50	10	BBGE	
O=[N+]([O-])c1ccc2nc(B(O)O)[nH]c2c1	394759611	UZHRQURJBSCYRC-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
CCN(CC)C1[C@@H]2CN(CC(=O)NN)C[C@@H]12	395258046	MYXRSOIYOIQLPC-RKDXNWHRSA-N	226.324	-0.752	50	10	BBGE	
Nc1ccc2c(CO)c(B(O)O)sc2c1	396243166	LCFOJBMVZULDET-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](C)C[S@@](C)=O	399994250	VUAMPMTWOVNBGH-KDZIRCDLSA-N	235.353	-0.546	50	10	BBGE	
OB(O)c1ccccc1CNCC1COC1	585049235	MCDYRQNMHYYICM-UHFFFAOYSA-N	221.065	-0.898	50	10	BBGE	
CCO[C@H]1COCCC1=NNC(N)=O	686592193	DTPYCJFLGUAMCF-ZETCQYMHSA-N	201.226	-0.164	50	10	BBGE	
CO[C@H](C)CN(C(=O)C(=O)NN)C(C)C	688007940	ALWDOMSQVHXPQE-SSDOTTSWSA-N	217.269	-0.752	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1ccoc1C(=O)NN	688395279	NWEGCYUTUBFAAT-MRVPVSSYSA-N	241.291	-0.057	50	10	BBGE	
CC(C)(C)N(CCO)CCCC(=O)NN	689989541	SWCPUOAHLNOPFD-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CO[C@H]1CCC[C@H]1n1cc(B(O)O)cn1	694545005	VBHYYLLRMYVIKC-BDAKNGLRSA-N	210.042	-0.697	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)C[C@H]1C	706207905	URLHXTMAVIKEJN-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC(SC)C1	707235683	YBXNAVNJPVNPCI-HACHORDNSA-N	247.364	-0.183	50	10	BBGE	
CCCN(CC(=O)NN)CC(C)(C)O	708532266	KWHIERPJQVRWOQ-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC1CN(C)C1	709600372	XICCASFHMCSABU-DTWKUNHWSA-N	228.340	-0.506	50	10	BBGE	
NNC(=O)c1ncc(Cn2cccn2)s1	711349367	XGOOZUJDJTXMRP-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
COCC[C@@H](CCl)NCCn1cnnn1	712593522	YTQSMPXNFDCKOZ-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
COC(=O)/C(C#N)=C1/NN=NN1NC(C)=O	714528338	VYOHZLIXAAFRHC-WAYWQWQTSA-N	224.180	-0.867	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719155216	MNJLAUAZARIGIL-GARJFASQSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CN1C2CCC1(CO)CC2)C(=O)NN	723022263	NDJLAZPPZHIQGB-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
O=CC1=CC[C](N2C[C@@H](CO)[C@@H](O)C2)S1	725542999	OPQSIEYJIORYIJ-CBAPKCEASA-N	228.293	-0.019	50	10	BBGE	
C#CCC(CC#C)C(=O)NNC(=O)c1cn[nH]c1	863935763	UKWNPARPSSGJNA-UHFFFAOYSA-N	244.254	-0.167	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)Cc1cccnc1	900572690	HMRKOKOVPOSKMJ-XCRNYIDWSA-N	249.270	-0.292	50	10	BBGE	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1	908379844	IMQPAUYJELRLLD-HRDYMLBCSA-N	244.291	-0.280	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)[C@@H](C)CO	911445518	XJSIHXGPXHPGAO-QLFXJFTPSA-N	202.254	-0.733	50	10	BBGE	
C#CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1119960576	QDZJCJFQNRBMBQ-BWZBUEFSSA-N	208.217	-0.666	50	10	BBGE	
Cc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C	1166383745	DSUGDIQHJVINBA-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)[C@H]1CCCO1	1328393728	CVAKIVKFVPXIQW-SSDOTTSWSA-N	238.247	-0.721	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C\Cn1cncn1	1339053371	GHXBLWNFBWGLES-ARJAWSKDSA-N	238.251	-0.863	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)C1CC1	1540362888	AIADHAOMFAKFCA-MRVPVSSYSA-N	211.265	-0.362	50	10	BBGE	
OB(O)c1cnc([C@@H]2CCCOC2)nc1	1613881929	MDYJPHQVIZCPLQ-SSDOTTSWSA-N	208.026	-0.950	50	10	BBGE	
O=C(NNC(=O)c1cnco1)c1cnsn1	1637806687	UOXRRRMYIMZAAF-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
O=C(CO)NNC(=O)c1cnc(C2CC2)nc1	1654450975	MCKIGNHWVJDGPI-UHFFFAOYSA-N	236.231	-0.893	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1877521452	UDHALRWXECXJME-WNJXEPBRSA-N	204.657	-0.544	50	10	BBGE	
C[C@H](CCl)NC(=O)[C@H]1CCS1(=O)=O	1881855357	PMZIXGAVQHCJQO-PHDIDXHHSA-N	225.697	-0.083	50	10	BBGE	
C[C@](N)(B(O)O)C(F)(F)C(F)(F)F	1882411123	HEKYSGDOYIRPJG-UWTATZPHSA-N	206.907	-0.087	50	10	BBGE	
NC[C@H](CO)C(=O)NC[C@@H]1C[C@H]1Cl	1883552541	NFQVLRZTOYQNMF-RRKCRQDMSA-N	206.673	-0.703	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@H]1C[C@H]1Cl	1883637709	ARNMJARDKMJWBG-WNJXEPBRSA-N	204.657	-0.937	50	10	BBGE	
O=S1(=O)C[C@H]2CN(CCCl)C[C@@H]21	1887083368	CFZUCPSVPZIAGU-RQJHMYQMSA-N	209.698	-0.046	50	10	BBGE	
CC[C@](C)(N)C(=O)NN(C)S(C)(=O)=O	1888561733	IIOCBLYCBMPDAS-ZETCQYMHSA-N	223.298	-0.964	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCO1)C(=O)NN	1889799067	IEZPAYXWQCQHPA-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1O	1890259086	PEZJSMHVFDYXSC-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCNC[C@H](O)C1	1893453444	NCBCRKXHMPUJHO-XLPZGREQSA-N	218.684	-0.594	50	10	BBGE	
NCc1nc(NC(=O)[C@@H]2C[C@@H]2Cl)n[nH]1	1893462022	VKGBDHOBYNBFKY-DMTCNVIQSA-N	215.644	-0.171	50	10	BBGE	
CN(Cc1nnn(C)n1)C[C@H](O)CCl	1894762581	WRBUIIIXEYGUMP-ZCFIWIBFSA-N	219.676	-0.758	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2C[C@@H]2C1	1895126357	SEGWCXZKDYAKJQ-HTQZYQBOSA-N	219.053	-0.997	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@](C)(O)C1	1896860594	PEPXZUSXQOBEQB-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)C1(C)C	1901757812	WDTJSBJCRAECLO-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
C[C@](O)(CO)[C@H]1CCN(C(=O)CCl)C1	1902215855	LBUWEELXVMOPIP-CBAPKCEASA-N	221.684	-0.183	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CCOC2)C1	1915590659	QWFZOBKRLLPBCH-BDAKNGLRSA-N	225.292	-0.665	50	10	BBGE	
CC1(C)C[C@H](O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1923163608	JDSGDSQYPPYJCO-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
COc1ccncc1C(=O)NNC(N)=S	1927179406	RNLIESAVFHXFKO-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)C1=O	1927812795	PJDUXPOITLPUHX-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
CN1C[C@H](N=c2[nH]cc[nH]c2=O)[C@H](Cl)C1	1928756237	SDYKEVAEJGBYES-RQJHMYQMSA-N	228.683	-0.475	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(CCO)C1	1932107320	CWNBHVVWXFTSPW-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
CC1(C)CN(CC(F)(F)C(=O)NN)C[C@@H]1O	1935940218	BBWLISHQSOVABH-LURJTMIESA-N	237.250	-0.686	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092835	XKYXZNRDZHBNNP-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H]1COCCCN1C[C@H]1C[C@H]1C(=O)NN	1936094369	MNLNAYHJGVFYIZ-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@H]3C[C@H]3C2)O1	1936482888	HBYHGKNTXMGMOT-UTINFBMNSA-N	225.292	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC(C)(C)CO	1938122340	NQPHMEGLLCKFGB-IUCAKERBSA-N	231.340	-0.049	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CC2(C(=O)NN)CC2)C1	1938246937	NMLWOSKANSDLLH-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
O=C(NNCCO)c1ccc(F)cc1[N+](=O)[O-]	1944215841	NZCWCQKAEAIXSM-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H]1CN(C)C	1947728087	MWEIELYGDWBRNY-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)C(=O)CCl	1951892247	DQDVBNGJMJBLIF-YFKPBYRVSA-N	214.670	-0.410	50	10	BBGE	
COc1ccc([C@H](N)[C@H](O)C#N)c(OC)n1	1952956618	MWRUSWHUSVSZTD-APPZFPTMSA-N	223.232	-0.017	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cn(CC2CC2)nn1	1953022078	RVTMYAXNEYINFL-DTWKUNHWSA-N	207.237	-0.428	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H](O)C[C@H]1O	1954819496	RINBZPFPKRAJAP-RRKCRQDMSA-N	207.657	-0.384	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@]1(CO)CCNC1	1955442978	IUYZFTSRDHYBHP-QMMMGPOBSA-N	241.118	-0.122	50	10	BBGE	
COC1CC(CC(=O)NNC(N)=O)C1	1956492981	GLSOLSSNZHUREJ-UHFFFAOYSA-N	201.226	-0.499	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1CF	1956881777	GMYVFKPDMHSSOW-LURJTMIESA-N	203.217	-0.673	50	10	BBGE	
COC1(CC(=O)NNCCO)CCCC1	1961054313	ARLNWNGRZWORLO-UHFFFAOYSA-N	216.281	-0.051	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC12COC2	1961513262	QXHLYSAICBYVAA-UHFFFAOYSA-N	221.207	-0.914	50	10	BBGE	
CN(c1ccncc1B(O)O)C1(C)CC1	1961686372	CTJBMRRRQMGWLW-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
CN(CC(=O)NN)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	1961815213	LBFNSIGNJOWCRH-WYCDGMCDSA-N	209.293	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@H]1F	1975254283	CWLLGKRGOILCHF-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)[C@@H]1C	1981424848	ZIKKFUIUXZSYBE-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
CN(CCC1CC1)c1ccncc1B(O)O	1981427368	TWLZOXWFVVNMLK-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2CC1C2	1981469638	WDEYFWRKYSUPRH-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)F	1985221104	OTLINSAUZSOIMZ-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
Cc1cnc(OC(CF)CF)c(B(O)O)c1	1985996518	DNQJJSIJCGULKL-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OC[C@H]2C[C@@H]2C(=O)NN)C1	1986235735	PKNHZBMOFUCBGU-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC12CC(CO1)C2	1989835819	YIZCYBVESMQPOU-YUCVTWSNSA-N	227.308	-0.134	50	10	BBGE	
N#CCCNC(=O)c1ccccc1B(O)O	1992835640	FOKDPYRXSVKTGN-UHFFFAOYSA-N	218.021	-0.990	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cn(C)cn1	1997726379	JTJOZHNBPZMPBQ-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(C1CCC1)C1COC1	1998394951	XUQLWDPIJJGBBP-LDYMZIIASA-N	239.319	-0.134	50	10	BBGE	
OB(O)c1cnn(CC2C[C@@H]3[C@@H](C2)C3(F)F)c1	2000410479	HVPGWUVAKNYSCQ-RKDXNWHRSA-N	242.034	-0.146	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[C@@H]1CO	2000984194	NUHLNZATGYTLBC-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2ncnc2C1	2003925403	KSWDRNREFJGGLY-YUMQZZPRSA-N	238.295	-0.892	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)[C@@H](C)COC	2004911042	BTYGXPVYLPZFCW-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1ncncc1B(O)O	2004912944	ZQPJJNNQZKMFQE-HTQZYQBOSA-N	233.080	-0.751	50	10	BBGE	
COCC(C)(C)N(C)c1ncc(B(O)O)cn1	2004917191	VQKPSFLZHVVXGF-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CCN(CCC1CC1)c1ncncc1B(O)O	2004918023	ZKYXMCIAVOUOIE-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980181	RRLRQGOWVCXYQL-KAMPLNKDSA-N	241.335	-0.154	50	10	BBGE	
CCN(CCF)CCn1cc(C(=O)NN)nn1	2012676984	YXAGSVOECCPPDF-UHFFFAOYSA-N	244.274	-0.827	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013925655	JMDQHVKMNKQEKG-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](c1ccc(O)cc1)N(C)C(=O)C(=O)NN	2017507322	HCCICCZRFDYKKO-ZETCQYMHSA-N	237.259	-0.099	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(CC(=O)NNC(C)=O)C1	2019178139	AXVLTQPDKANZPV-DTWKUNHWSA-N	247.270	-0.788	50	10	BBGE	
CO[C@H](C(=O)NCC#CB(O)O)C1CCCC1	2021156872	DRIDYOSJXFHLQB-JTQLQIEISA-N	239.080	-0.677	50	10	BBGE	
C=C(CN(C)C[C@H]1COC(C)(C)CO1)B(O)O	2021157508	NIHNKBHMKIMWAS-JTQLQIEISA-N	243.112	-0.320	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021436926	KHVVFGMYBBKNDH-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C12CCC2)C(=O)NN	2023235805	FHMNKLFUPVSKGS-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CCC[C@@H]32)ncc1B(O)O	2052553494	IHBGUFVESGTSKL-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@@]32C)ncc1B(O)O	2052556967	PZKYHELDVRORAT-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2COC[C@@H]2C1	2052621070	BKLQATDRUOZEOU-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
C[C@H]1CCC[C@@H]1n1cnc2c(B(O)O)ncnc21	2055727935	HDVGBMXZLQECCS-YUMQZZPRSA-N	246.079	-0.133	50	10	BBGE	
CCOc1ccc(B(O)O)c(F)c1OC	2060113737	SRLZFGIBQCMXDL-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
Cn1cn[nH]c1=N[C@@H]1COC[C@H]1CCl	2209807328	YZLVLFUBHIHGHI-RNFRBKRXSA-N	216.672	-0.097	50	10	BBGE	
CN(C[C@@H](F)C1CCCC1)C(=O)C(=O)NN	2212188893	FYLAZTOVAHRXRG-MRVPVSSYSA-N	231.271	-0.037	50	10	BBGE	
CCC#CCOc1nccc(B(O)O)c1F	2212606264	RCRBWTWTJILVOW-UHFFFAOYSA-N	223.012	-0.307	50	10	BBGE	
CNCC[C@H](C)Nc1ncccc1B(O)O	2212613293	TWXHOXQGBXAXCR-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
OB(O)c1cnc(NCc2cscn2)nc1	2212613302	UDLGANBZKAKLLZ-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H]2CC[C@H]2C(=O)NN)c1	2215773346	SKIKZIQNMVIBSR-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
CON(C[C@@H]1CC[C@H]1C(=O)NN)[C@@H]1CCOC1	2215778330	YOBREYBAICWCIE-IVZWLZJFSA-N	243.307	-0.345	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C(F)(F)C2)CCC1	2216496501	BXNHNZBYEFUSCX-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
CC[C@@H](N)[C@@H](CC)Oc1ncccc1B(O)O	2217171227	BZDFHOJUNYLGCB-NXEZZACHSA-N	238.096	-0.344	50	10	BBGE	
N[C@@H]1CC[C@H](CNc2ncccc2B(O)O)C1	2217175855	OFVBGZZMXLRYCM-DTWKUNHWSA-N	235.096	-0.699	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217179866	CGPMXYQPLYGQJZ-SFYZADRCSA-N	240.043	-0.510	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1nccc(B(O)O)c1F	2217181474	QGVDHILDKRJLMV-RQJHMYQMSA-N	242.059	-0.528	50	10	BBGE	
Cc1cnc(O[C@@]2(C)CCOC2)cc1B(O)O	2217192374	OBBALPPNLZRHOG-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
CC1(C)NCC[C@@H]1Oc1cc(B(O)O)ccn1	2217193430	MTQWXIIMCJMWAG-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
CC[C@@]1(Nc2cc(B(O)O)ccn2)CCOC1	2217203646	YJRYDKOAQBEZAQ-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
CNCCC[C@@H](C)Nc1cc(B(O)O)ccn1	2217204164	GFURETKNAQHJRA-SECBINFHSA-N	237.112	-0.439	50	10	BBGE	
CC1(C)CCNCCN1c1ncccc1B(O)O	2223670852	DJGFRSKJXOAROK-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
C[C@H](O)[C@@H](C)NS(=O)(=O)N1CC(Cl)C1	2241331562	LQXBUFWRPJGZGO-RITPCOANSA-N	242.728	-0.487	50	10	BBGE	
CC[C@@H](CSC)NC(=O)C#CB(O)O	2241476155	MPRTYYZVGBMJBH-ZETCQYMHSA-N	215.083	-0.740	50	10	BBGE	
CC(C)(C)OC(=O)NCCC#CB(O)O	2241909085	UCDBAEBIXNDNEK-UHFFFAOYSA-N	213.042	-0.083	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CC1	2243363532	IGPYSAVHELURHE-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
CC#CCNC(=O)c1cc(C)sc1B(O)O	2243377520	ATBABWNJZNFXFX-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)[C@H]1C[C@H]1B(O)O	2243380987	BNIMLRMUGQSIRF-NKWVEPMBSA-N	223.041	-0.803	50	10	BBGE	
O=C(NCc1cn[nH]c1)[C@H]1C[C@@H](B(O)O)C1	2243381346	FJDBRVHZCPLWTE-OCAPTIKFSA-N	223.041	-0.721	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2243382975	TWBSDGRHYUWSFB-CWKFCGSDSA-N	231.032	-0.908	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243392489	URVRBBKUVUPWJE-OYNCUSHFSA-N	229.085	-0.483	50	10	BBGE	
O=C(NC1CCNCC1)C1(B(O)O)CCC1	2243409472	INMIMCMFDLRORH-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
CC(C)(F)CNC(=O)c1cscc1B(O)O	2243409905	QWBMZBOOLSXQFW-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
CC(C)[C@@H](N)CNC(=O)C1CC(B(O)O)C1	2243413391	FOECIIJRYYEMOP-HACHORDNSA-N	228.101	-0.661	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CC[C@H]2C1=O)C(=O)NN	2243496023	CCAPTYHGXVAMSR-QYNIQEEDSA-N	225.248	-0.993	50	10	BBGE	
OB(O)C1CCN(C[C@H]2[C@@H]3COC[C@@H]32)CC1	2244179398	AXEQROSIFAXBSB-RTCCRHLQSA-N	225.097	-0.182	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cocc1B(O)O	2244215281	CTFASDPIMCDKFH-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
C[C@@H](F)CCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912473	AFHLZEOZKFNJQE-ZCFIWIBFSA-N	246.478	-0.003	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H](C)C1CC1	2247721154	ALUJCTLMJDGDKA-ZCFIWIBFSA-N	237.064	-0.204	50	10	BBGE	
CCc1nc(CNC(=O)C#CB(O)O)c(C)o1	2247740990	SJCRFILJTYETQV-UHFFFAOYSA-N	236.036	-0.823	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247750073	DNQHMEWYFRRHLB-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247787090	KTOMTUYFWKOSSY-WYOJIJJFSA-N	239.080	-0.608	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247791221	LVMMLVPGMXAOBN-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2247800119	LIZODEOGNQPYDH-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808503	LFSDGZWCBRNVSJ-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247809567	ZQUSWTPMBWOTHN-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2247809771	RGFNPQDTCSJQCQ-CVPUBMOQSA-N	239.080	-0.779	50	10	BBGE	
CCCOC[C@@H]1CCN(C(=O)C#CB(O)O)C1	2247851327	XZSRHKHYTITXER-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@H]1C	2247855641	VMDAVZNKMLGCQU-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
CC1(CCNC(=O)c2coc(B(O)O)c2)CC1	2247855831	YVZWTJADLDXDHK-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC=C=CCCNC(=O)c1ccoc1B(O)O	2247866962	VTSHAXSQRXMNEZ-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247871556	DBYVZPQEWKTPBT-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
O=C(N1C[C@H]2C(CO)[C@@H]2C1)C1(B(O)O)CCC1	2247877107	BZYBMDKIEKUOGQ-HTQZYQBOSA-N	239.080	-0.920	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2OCC[C@H]2C1	2247894622	IZEKEENCEAHJLY-QCLAVDOMSA-N	239.080	-0.513	50	10	BBGE	
CC(C)(F)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248579917	UCPOSKAOKJYQDH-HCWXCVPCSA-N	247.031	-0.833	50	10	BBGE	
CO[C@@H]1[C@@H](O)C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	2249795039	JNCBDZRKWZXFHR-LJASKYJCSA-N	241.243	-0.949	50	10	BBGE	
CCCc1cnn(C[C@@H](C)C(=O)NN)c(=O)c1	2250941415	CKPQSOQEFMOTRH-MRVPVSSYSA-N	238.291	-0.178	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@H]2CC[C@H]3C[C@H]2CC[C@@H]13	2255465253	HXHLGWZSUMRPMU-CEBISCOSSA-N	247.103	-0.057	50	10	BBGE	
CN(Cc1ccn(C2CC2)n1)C(=O)C#CB(O)O	2255469313	NMUWLPAHUVUWDX-UHFFFAOYSA-N	247.063	-0.808	50	10	BBGE	
C=CCCNC(=O)c1ccc(OC)c(B(O)O)c1	2255499515	BGRRDYUNOFRZJI-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
CC(C)N(Cc1cccnc1)C(=O)C#CB(O)O	2255672368	GDUNJPVLEOEQQO-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
O=C(NCCn1cccc1)c1ccoc1B(O)O	2255677573	BJOYGOPYMWCFJA-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@@H]2C[C@H]21	2255684813	QSWWFOBXHZIJBL-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
Cc1ccc(NC(=O)c2ccoc2B(O)O)cn1	2255722403	OCMRWCKLWDKLIN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)cc1O	2255953674	MKBUJQWTEVTVGT-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369411	UCKOKPSEIAPVFA-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298759079	HXWQJNHILGDWTH-JLIMGVALSA-N	238.096	-0.940	50	10	BBGE	
CO[C@@H]1CC(O[C@H](C)CC(=O)NN)C[C@H]1OC	2300922877	CZEDHABSTXCEHV-SZEHBUNVSA-N	246.307	-0.036	50	10	BBGE	
C#CC1(Oc2ccc(C=O)c(B(O)O)c2)CC1	2301421446	URRNWHFPIPJJLL-UHFFFAOYSA-N	230.028	-0.277	50	10	BBGE	
CCc1cnccc1CNC(=O)C#CB(O)O	2301927072	WITBJSAFZSOZFE-UHFFFAOYSA-N	232.048	-0.724	50	10	BBGE	
O=C1[C@H](N2CC[C@H](B(O)O)C2)CCN1C1CC1	2303105023	LWDYBKZUOMLTLU-WCBMZHEXSA-N	238.096	-0.702	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2304251295	HTPJKEFILXMFNA-KYXWUPHJSA-N	241.096	-0.533	50	10	BBGE	
CCc1cnn(CC(=O)NCC=CB(O)O)c1	2304811044	ZSALQSDMGONKAI-UHFFFAOYSA-N	237.068	-0.870	50	10	BBGE	
CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ncncc1B(O)O	2309538366	RKABDRPBKIECNE-BBBLOLIVSA-N	247.107	-0.361	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	2312518786	PYVGVPQPAWVSNK-SKHVAJMDSA-N	249.314	-0.131	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1cc(B(O)O)ccc1F	2319330085	VRFWRTYMIUXORS-JTQLQIEISA-N	249.050	-0.302	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)CNC(N)=O	67190210	XOEIXGIVRNOVQL-UHFFFAOYSA-N	230.268	-0.762	50	10	BBGE	
Cc1n[nH]c(S[C@H](C)CC(=O)NN)n1	82473188	CPOXOMJBNHPPLL-SCSAIBSYSA-N	215.282	-0.026	50	10	BBGE	
CN1C(=O)CC[C@@H](NC(=O)CCCl)C1=O	84406437	BWIAAQNLPUCMNX-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
O=C(CCl)NC[C@@H]1CN2CCN1CC2	90698452	YIDBTCMETDYESJ-MRVPVSSYSA-N	217.700	-0.659	50	10	BBGE	
CN(Cc1cnn(C)c1)CC(C)(C)C(=O)NN	93728059	XZLZJLWDVXQYCQ-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
CN1CCCC[C@H]1CN1CC(=O)OC(=O)C1	111218128	SOOHXDLWVADMMX-VIFPVBQESA-N	226.276	-0.144	50	10	BBGE	
CCOC(=O)C(=O)/C(C)=N/NC(N)=O	143908168	GLXAZYHERNYMIU-RUDMXATFSA-N	201.182	-0.837	50	10	BBGE	
CC[C@@H](Br)C(=O)NOCC(N)=O	157232630	AAVSXDUWMPWGMK-SCSAIBSYSA-N	239.069	-0.307	50	10	BBGE	
CCOCCOCc1ccc(B(O)O)cc1	203178894	NTNHWNMBHOMPQY-UHFFFAOYSA-N	224.065	-0.081	50	10	BBGE	
COCCOCc1ccc(F)c(B(O)O)c1	203184714	RQGCSWFJVCTGKI-UHFFFAOYSA-N	228.028	-0.332	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2CCOC2)c1	203281044	AOGVZEUXFWJPQW-SECBINFHSA-N	222.049	-0.218	50	10	BBGE	
COc1cccc(-n2cc(B(O)O)cn2)c1	203614947	YMDTVUVETMCPMX-UHFFFAOYSA-N	218.021	-0.439	50	10	BBGE	
CCS(=O)(=O)S[C@H]1CC(=O)OC1=O	207155982	JWDTWODLAHGRSN-BYPYZUCNSA-N	224.259	-0.089	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](N(C)C)C1	211961913	OVPRGPKXQJOSED-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1ccccc1O[C@H]1CCCOC1	224914318	YBIYPNCITFFKMB-VIFPVBQESA-N	222.049	-0.076	50	10	BBGE	
CCc1nccn1[C@@H](COC)C(=O)NN	232421066	VPTJVTFGRLWHEV-ZETCQYMHSA-N	212.253	-0.377	50	10	BBGE	
COC[C@H](Sc1nccc(C)n1)C(=O)NN	232421412	IYRCQEIWXDIBLG-ZETCQYMHSA-N	242.304	-0.118	50	10	BBGE	
COC[C@@H](OCCOCC(C)C)C(=O)NN	234704891	IOKZRJUPLBFPEM-SECBINFHSA-N	234.296	-0.320	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NN)[C@@H]1NC(N)=O	238434822	SZSMCVXQSJATAK-HSUXUTPPSA-N	200.242	-0.941	50	10	BBGE	
COc1ccc(NN=C(C#N)C(=O)NN)cc1	242538957	JJQJGBJAGGGTOH-UHFFFAOYSA-N	233.231	-0.023	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCOC1	251246381	UNFXLXZGNHOBKN-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2c(c1)CC(=O)N2	259059161	WMWFLEPJUCCKSK-MRVPVSSYSA-N	234.259	-0.439	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CCC(=O)NN)C1	306947416	PNLUCZZCVAAIKC-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
O[C@H](CCl)CN1CCN2CC[C@H]1C2	307183431	YAXWVHVBMYLGPJ-DTWKUNHWSA-N	204.701	-0.024	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(C(N)=O)C1	307652939	ORTVHTRQJAXZHZ-BYPYZUCNSA-N	233.655	-0.733	50	10	BBGE	
CCCN1Cc2cccc(B(O)O)c2C1=O	380481212	SXBIQERCDSOVED-UHFFFAOYSA-N	219.049	-0.268	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@@H]1C[C@H]1C	381433425	XIJGQNJAUVEHJT-PRJMDXOYSA-N	213.281	-0.227	50	10	BBGE	
O=C([C@@H]1C[C@@H](O)CN1)N1CCSSCC1	389716190	NZQUIJYFLPXHLT-SFYZADRCSA-N	248.373	-0.067	50	10	BBGE	
CC(C)(CCN1CC[C@@H](CO)C1)C(=O)NN	395595650	QGUWGOCUJOXVIS-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
CCC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	396052576	NQBONTWESQMTGN-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
C[C@H](Cl)C(=O)c1cccc(B(O)O)c1C=O	396058903	PIPUEDWWMUWOET-LURJTMIESA-N	240.451	-0.011	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1B(O)O	404917786	QSBJWMQVZMTVHB-SCZZXKLOSA-N	233.076	-0.361	50	10	BBGE	
COCCC(=O)Nc1ccc(C)cc1B(O)O	404998928	IRMZBHJPSGPKLW-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
COCCC(=O)NCc1sccc1B(O)O	405012630	RLICHYCUWOAXAY-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
CN1CCC[C@H](NCc2ccc(B(O)O)cc2)C1	585018728	QKYDHKNWUNFXNT-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
CCN1CC[C@@H](N(C)CC(=O)NN)C1	689047262	LFSRQCCIHSRKKL-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCSC1	689642175	NTFMYVSMFRQCPN-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
COC(=O)[C@@H]1CN[C@H](CBr)CN1	689687910	KWEAYVZECPUQHL-RITPCOANSA-N	237.097	-0.516	50	10	BBGE	
CCNC(=O)[C@H](C)N1CCC(O)(C#N)CC1	692090094	HPEUNOIADQJSAI-VIFPVBQESA-N	225.292	-0.139	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)CC1CN(C)C1	692673214	LJBSIRNSZMHDJH-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	694831461	ZHYUOBHGDWOLHH-APPZFPTMSA-N	213.281	-0.524	50	10	BBGE	
COCCN(CCF)[C@@H](C)C(=O)NN	700384640	NRBIXECKVNBANJ-ZETCQYMHSA-N	207.249	-0.717	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](CCF)C1	700560457	JKUTWIHYQTXUQP-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]1c1ccccc1	702030644	PXRUAMMBQKIEIN-NXEZZACHSA-N	219.049	-0.082	50	10	BBGE	
O=C(CCl)N1CCOC[C@H]1CCO	702193703	ZNTWGSQTNDCCEV-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
CN(N)C(=O)CNS(=O)(=O)c1ccccc1	704635979	UDPLJKJTUCOXOX-UHFFFAOYSA-N	243.288	-0.703	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](F)[C@H](F)C1	714557811	FUTBLAOUKHYEDR-FSDSQADBSA-N	207.224	-0.253	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCS[C@@H](CO)C1	720069071	MDTZBVGTGOYRFB-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C]1CN=CS1	725711897	YGSUGKMMGRLCEF-UHFFFAOYSA-N	249.080	-0.388	50	10	BBGE	
O=C(NN=Cc1ccncc1)[C@H]1COCCO1	745208479	XLBYIMYWWOADFK-SNVBAGLBSA-N	235.243	-0.053	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)C1CC1	785402877	ACIBNRZTMKQURX-BQBZGAKWSA-N	242.231	-0.824	50	10	BBGE	
C[C@H]1COCCC1=NNC(=O)[C@H]1COCCO1	794512804	CDTUWUJCTBJCPO-WCBMZHEXSA-N	242.275	-0.070	50	10	BBGE	
CC1=NO[C@H](C(=O)NNc2nnc(C)n2C)C1	856045751	JNGLPULHZUSWSD-ZETCQYMHSA-N	238.251	-0.269	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(CC)CCO	911444563	RNLCASBIVZCZSX-UHFFFAOYSA-N	226.280	-0.069	50	10	BBGE	
C[C@H](NNC(=O)C1(O)COC1)C(F)(F)F	1301179481	AAGNDIGMCNGEFR-BYPYZUCNSA-N	228.170	-0.681	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@@H](C)CC(N)=O	1442300369	STFOZPWQEDHDLI-ZETCQYMHSA-N	244.295	-0.372	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1nncn1C	1540771289	BUEAGZBSQWWMGH-VURMDHGXSA-N	235.247	-0.125	50	10	BBGE	
COCC#CC(=O)NNc1cc(C)ncn1	1610902605	DJZBDJCHTOSHPO-UHFFFAOYSA-N	220.232	-0.122	50	10	BBGE	
NOCC(=O)NC[C@@H]1C[C@@H]1Br	1877362566	ZQKRAVGIODAIHZ-WHFBIAKZSA-N	223.070	-0.224	50	10	BBGE	
O=C1NC[C@@]2(CCN(CCCl)C2)N1	1882007055	JBZYAXZPVHUALB-MRVPVSSYSA-N	203.673	-0.018	50	10	BBGE	
O=C1C[C@H](N[C@H]2C[C@@H](Br)C2)C(=O)N1	1882560929	NGIYGFAYZMGKIQ-JKUQZMGJSA-N	247.092	-0.083	50	10	BBGE	
NC1CC(NC(=O)C=CC(=O)Cl)C1	1883624559	RJAMTTJHGSSIKS-UHFFFAOYSA-N	202.641	-0.086	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)CCF)[C@H](Cl)C1	1884893695	DSMRZHJDWMHNQI-RQJHMYQMSA-N	244.719	-0.203	50	10	BBGE	
CS[C@H]1C[C@H](C(=O)NNC(N)=O)C1	1886687200	NBLHZPNDDWREKA-URHBZAFASA-N	203.267	-0.173	50	10	BBGE	
OCCCCCN1CC[C@H](B(O)O)C1	1891560366	RRCRQXYNJFMWQD-VIFPVBQESA-N	201.075	-0.302	50	10	BBGE	
Nc1[nH]nnc1C(=O)NC[C@@H]1C[C@@H]1Cl	1893088915	PIIQWAQZUPTLNC-IMJSIDKUSA-N	215.644	-0.256	50	10	BBGE	
CN(C)NC(=O)N1CC[C@]2(C(=O)O)C[C@@H]2C1	1897252216	KZNHLUKULTVOIE-XCBNKYQSSA-N	227.264	-0.031	50	10	BBGE	
COCCCOCCO[C@@H](C)CC(=O)NN	1900892090	GERZZXMVTASXQK-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1[C@@H](C)C[C@H]1C)B(O)O	1901114415	PNSGTZCJOAGBHQ-QMSLJYSESA-N	247.125	-0.482	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC=C[C@H](O)C1	1901768148	ZHAYWKMHJHGYDT-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
NC(=O)C[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1Cl	1902758301	NQRWSESOXHDGJI-GJMOJQLCSA-N	245.710	-0.711	50	10	BBGE	
O=C(NC1CC(Cl)C1)N[C@H](CO)C(=O)O	1909271962	FKAABICATRNMLC-JMMWHDCWSA-N	236.655	-0.499	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1910674723	ZDGIZKHDBPHBTH-XLPZGREQSA-N	243.068	-0.679	50	10	BBGE	
CCCC1CC(CNC(=O)C(=O)NN)C1	1921240551	PBLOJJBIPGLJES-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
COC[C@H](Cl)CNS(=O)(=O)C1COC1	1923182926	JJWTYVPIUWPOST-ZCFIWIBFSA-N	243.712	-0.442	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]2C1=O	1927814455	ZBQQHZPXJREWDG-RFZPGFLSSA-N	219.191	-0.910	50	10	BBGE	
Cn1[nH]cnc1=N[C@H]1COC[C@@H]1Cl	1930288940	FILIGTHXNPPWHK-WDSKDSINSA-N	202.645	-0.345	50	10	BBGE	
NNC(=O)C1(Cn2ccc(=O)cc2)CC1	1931267246	RHHFAFRFTVIGPH-UHFFFAOYSA-N	207.233	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC1(C)C	1934004196	LRAAXTITPVDANA-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
CC(C)(C)N(CCO)C[C@H]1C[C@H]1C(=O)NN	1936082027	CEDXUDNCJLBBLH-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@]1(O)CCN([C@H](CC)C(=O)NN)C1	1937987909	UILMNSPCDCHRSU-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1CC1(C(=O)NN)CC1	1938230796	MXLNNKZRXCXBPP-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(COCCO[C@H]1CCOC1)C(=O)NN	1940244601	FROLXTPGTLUQBS-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@H]1C[C@H]1C(=O)NN	1941086759	KHDABLOXFUZPPB-GHMZBOCLSA-N	242.367	-0.116	50	10	BBGE	
CC(C)(O)[C@H]1CCN(CCOCC(=O)NN)C1	1941772686	MTWMWZXHPRESCT-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CC12CC2	1944723435	IXDCXTBVBZVJQB-OPRDCNLKSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(=O)NC(C)(C)C1	1945293087	JELBTCIVXAVSNR-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
CC(=O)N[C@@H](Br)CS(C)(=O)=O	1951353213	MVXILRZQXCGJKF-RXMQYKEDSA-N	244.110	-0.112	50	10	BBGE	
CO[C@H](CCS(C)(=O)=O)C[C@H](O)C#N	1951418089	AEFSOERTJPCUQS-JGVFFNPUSA-N	221.278	-0.289	50	10	BBGE	
C[C@]1(CCNC(=O)NN)COCCO1	1957192233	GACGZTVICNVHBV-QMMMGPOBSA-N	203.242	-0.645	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)cc2)C1	1962778706	FZEPIDSWHJPGNI-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
C[C@@H](COCC1(C(=O)NN)CC1)N(C)C	1974649577	XVSCTEVBUNJZFI-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1ncon1	1976756230	ROICIHWBLLHTFQ-SSDOTTSWSA-N	227.268	-0.340	50	10	BBGE	
CP(C)(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NN)C1	1976873052	WQXVXNSRRVXUKM-NKWVEPMBSA-N	247.235	-0.364	50	10	BBGE	
OB(O)c1cccc(OCCC2COC2)c1	1976924362	PZDRYCKCNVPRDS-UHFFFAOYSA-N	222.049	-0.218	50	10	BBGE	
C[C@@H](N=[S@@](C)(=O)N1CCCCC1)C(=O)NN	1979784707	MBPWPWBPACLSJN-VPTHRUTESA-N	248.352	-0.137	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(=O)NC[C@H]1C	1985210189	VOKYFBLTTMHDGA-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)[C@H]1CC(=O)NC1=O	1991705635	HHBOGGBPKLRIMX-HRJJCQLASA-N	244.634	-0.819	50	10	BBGE	
COc1cscc1C(=O)NCC#CB(O)O	1992124604	GQYMHVSKFCDPBG-UHFFFAOYSA-N	239.061	-0.498	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C23CCC3)CC1	1993529219	SIDHHTZKVAZQFT-QMMMGPOBSA-N	225.292	-0.644	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CN2CC[C@H]1C2	1996735517	WRRLODXMEJICCL-XWLWVQCSSA-N	238.335	-0.752	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1[C@@H]2CC[C@@H]12	1997527915	FZPDRFDYTLRSEK-RNFRBKRXSA-N	232.048	-0.644	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]1c1ncon1	1997764836	JWYQMJOTQSPQGD-PRJMDXOYSA-N	237.263	-0.558	50	10	BBGE	
Cc1ccoc1C(=O)N[C@H](CB(O)O)C(=O)O	1998125376	HZFGYEGJUMAPGE-ZCFIWIBFSA-N	241.008	-0.756	50	10	BBGE	
CN(CCCC(F)F)c1ncc(B(O)O)cn1	2004918187	IPMZMYWYUUHAGE-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
CCOC1CN(c2nccc(C)c2B(O)O)C1	2004919327	XNJOXOUXYURVIT-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
COC[C@@H](C)CN(C)c1ncccc1B(O)O	2004933930	BHSCIRAUVSMRQK-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
C[C@H](CN(C)C[C@]1(C)COCCO1)C(=O)NN	2005977843	MRECAHBUNVMYLS-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	2009520216	JIJKSJYLZYYXQP-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C(C)=O	2017294552	FDCBFCJWOWDBNO-UTLUCORTSA-N	240.307	-0.940	50	10	BBGE	
Cc1n[nH]cc1C(=O)N[C@H]1CCC=C1B(O)O	2020056055	HLGIXXVKYKTLDR-VIFPVBQESA-N	235.052	-0.451	50	10	BBGE	
N#Cc1ccc(C(=O)NCC#CB(O)O)cc1	2021165225	SMIMFLYDSCLWSY-UHFFFAOYSA-N	228.016	-0.697	50	10	BBGE	
CN1CCC[C@@H]1C(=O)Nc1ccccc1B(O)O	2034004405	NTYOLYHTEOTFBY-LLVKDONJSA-N	248.091	-0.601	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1CC=CCO1	2034281389	MMUDRAAHRQPVKO-LLVKDONJSA-N	247.059	-0.350	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@H](C)[C@@H]2C)c1B(O)O	2052553628	JRMONIXFMZMTMQ-NRPADANISA-N	249.123	-0.054	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCCC[C@H]32)c1B(O)O	2052560407	XIVHMUASRAUYRK-NXEZZACHSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@H](C3)C2)n1	2052621355	GEMNZYAVOFGOSA-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
COC[C@]1(C)CCN1Cc1cccc(B(O)O)c1	2055906451	ZUPXYONABOOJPN-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
O=C(CC1CC1)NCCc1ccccc1B(O)O	2067541328	XYCYELLOUZQMEE-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
OB(O)c1cncnc1OCc1ccc(F)cc1	2083845968	IZWAVIYQWVXOLZ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=S(=O)(CCCCl)NCC#CCCO	2209508090	ZBTQVSAZZYBMIJ-UHFFFAOYSA-N	239.724	-0.080	50	10	BBGE	
OB(O)c1ccc(NC2CSC2)nc1	2210068121	MAPQDDLCLMWYQJ-UHFFFAOYSA-N	210.067	-0.711	50	10	BBGE	
C[C@@H]1CCC[C@H](CN(C)C(=O)C(=O)NN)O1	2210967986	OFPZESYGVSSWRJ-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CCC=C1CN(c2ccc(B(O)O)cn2)C1	2212603198	DEYQENWVHIHLSB-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
OB(O)c1cccnc1NCc1ccoc1	2212604213	UPETWXMDIONHRB-UHFFFAOYSA-N	218.021	-0.034	50	10	BBGE	
CC1=CCCN(c2ncc(B(O)O)cn2)C1	2212612251	IWUDUNVNFROKDT-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
CC1(C#N)CN(c2cc(B(O)O)ccn2)C1	2212614615	FPRWVZPURQXZES-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
CCN(CCN(C)C)C[C@H]1CC[C@H]1C(=O)NN	2215775784	IYBDTENDIXQFFU-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1O	2216531644	FAQVFQBNEAPTDY-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(NCc2ncco2)c1F	2217179342	JOCFOMAWSQEOKF-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
CC[C@@H](CO)CNc1cc(B(O)O)c(C)cn1	2217179356	JSVRLCAFBLCRBE-SECBINFHSA-N	238.096	-0.500	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCCCN1	2217181977	XSQBVDXHFXUWTK-SECBINFHSA-N	236.080	-0.718	50	10	BBGE	
CC[C@@H](O)CN(C)c1cc(B(O)O)c(C)cn1	2217182836	CYQSBDZTZOTJLK-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
OB(O)c1cnc(=NCC2=CCCCC2)[nH]c1	2217201052	WSDIAVRBQYBCPI-UHFFFAOYSA-N	233.080	-0.509	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC23CCCC3)[nH]c1	2223634260	IGWHVWUHYVCGGS-SECBINFHSA-N	247.107	-0.430	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1c1ncccc1B(O)O	2223634642	NFTGQLJLIKGPPE-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
Cc1cnc(N[C@]2(C)CCCNC2)cc1B(O)O	2223650505	NEBLRKWZQKJHPO-GFCCVEGCSA-N	249.123	-0.376	50	10	BBGE	
CC[C@H]1CN(c2ccc(B(O)O)cn2)CC[C@H]1N	2223671515	NFIYVMCICCQQDM-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
C=CC(=O)NCc1cc(B(O)O)cs1	2241558778	IVFBWHPLPGLEDO-UHFFFAOYSA-N	211.051	-0.770	50	10	BBGE	
NNC(=O)C1(COCc2ccccc2)CNC1	2241574216	SZOJUKGVOCBRBB-UHFFFAOYSA-N	235.287	-0.217	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2241730520	ZFZWGIBCBFOILZ-ACZMJKKPSA-N	203.022	-0.334	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1coc(B(O)O)c1	2243347806	QFLVCQLFPJMTKE-MRVPVSSYSA-N	223.037	-0.416	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@H]2C[C@H]21	2243350197	XKDFJORAMCXPNT-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
CCN(CCC(F)(F)F)C(=O)C#CB(O)O	2243357039	QHWKJOSLLBSUBZ-UHFFFAOYSA-N	236.986	-0.197	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243361680	FLQUJPSHWNZCSY-RQJHMYQMSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2243364141	RVFVCNGSFRNSBR-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H](CO)C1	2243391384	KBVUHMCXEXNKIT-AFPNSQJFSA-N	227.069	-0.920	50	10	BBGE	
Cc1nccnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2243396635	OTKZLPDGXMWAJM-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C1CCSCC1	2243403672	ATWDHLCTUDADKT-QMMMGPOBSA-N	241.121	-0.350	50	10	BBGE	
CC(C)=CCNC(=O)c1ncsc1B(O)O	2243408520	OTQXCICBXSGXRY-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1csnc1B(O)O	2243412831	UNFMZZVZAMUZJN-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CN(CC1COC1)CC1(C(=O)NN)CCC1	2243988983	OSSZJIWLOZICNA-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cocc1B(O)O	2244213926	LJMIOSGNTAFVAY-WDSKDSINSA-N	221.021	-0.902	50	10	BBGE	
NNC(=O)CN1CCC2(CC[C@@H](O)C2)CC1	2244893101	USHCXJDOMZLJDN-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)C1(B(O)O)CC1	2244902295	QINLUSNGEOBJDN-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
CC[C@@H]1CCN1c1nc(OC)ccc1B(O)O	2247144485	VXIBASTZISHUKW-MRVPVSSYSA-N	236.080	-0.241	50	10	BBGE	
CN1CCC(NC(=O)C2(B(O)O)CCC2)CC1	2247735940	QLIHNHPXSJBZHM-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
COc1ccccc1N(C)C(=O)C#CB(O)O	2247741706	DPOLBDQGMAISAE-UHFFFAOYSA-N	233.032	-0.327	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCC(F)F	2247760318	GHAHOYAVSWYFHD-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)c(OC)c1	2247785472	LDDLEJCKCKEMLU-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
Cn1ccc(CNC(=O)C2CC(B(O)O)C2)n1	2247799979	KACWXAGYXVOCJU-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1C[C@H]1B(O)O	2247805661	KNONLKBGVBFAKH-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccn(C)n1	2247810181	VLYROKZKMHGUGK-FXQIFTODSA-N	237.068	-0.540	50	10	BBGE	
CCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247860634	ZELGYINIYPXQIV-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
C=CCN(C(=O)c1ccoc1B(O)O)C1CC1	2247866740	RNNDLDZEYMABOG-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(NCC1CC1)c1ccc(F)c(B(O)O)c1	2247867734	LNPGNXPNGSOSGV-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
C#CCCOCC(=O)N1CCC(B(O)O)CC1	2249353145	IMHMWFHTYDKDOW-UHFFFAOYSA-N	239.080	-0.508	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCCN1	2249884922	DZTXINKFVPHIRH-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
C=CC1(CNC(=O)c2n[nH]cc2B(O)O)CCC1	2255546135	ARUNRGRMMKDVMQ-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2ccncc2C1	2255568972	RHFCRCLOLBDDMU-WDEREUQCSA-N	246.075	-0.171	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2255673369	PMUJZAJVFXNWBO-HXFLIBJXSA-N	247.059	-0.560	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255781334	LZASGPNTTGHWFF-KWQFWETISA-N	249.079	-0.925	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2C=CCC2)ncc1B(O)O	2256637280	UIUPSPFGLPXNOD-MRVPVSSYSA-N	247.063	-0.630	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1cc(B(O)O)co1	2258135829	UTYFIWMBSZLATN-LNRQSERFSA-N	247.059	-0.656	50	10	BBGE	
Cc1nc(O[C@H]2CC[C@@H]3C[C@H]23)ncc1B(O)O	2297869517	UIUPSOGJIDYREY-WEDXCCLWSA-N	234.064	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@H](O)C[C@H]2C1	2297962583	FWJMJHFIGXYNAU-LADJIXMOSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H]2C[C@@H]2C1=O	2298167291	GYODUECDYUGSGK-KATARQTJSA-N	237.303	-0.129	50	10	BBGE	
CNCCC[C@H](C)Oc1ncccc1B(O)O	2299736332	LHPHUBXDUKWANO-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1cocc1B(O)O	2301201010	JJDGJDDQPQMBQT-MTBHXBHISA-N	237.064	-0.266	50	10	BBGE	
CC(C)=C(CN1C2COCC1COC2)B(O)O	2301847147	RECUYPMMJWPQMG-UHFFFAOYSA-N	241.096	-0.566	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCO[C@H](CO)C1	2302048964	CBJYBWFSFVYNTF-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
Nc1ncccc1C(=O)N1CC[C@@H](B(O)O)C1	2303110732	CJJIQNWBNWWXIM-SSDOTTSWSA-N	235.052	-0.647	50	10	BBGE	
CC(C)n1ncnc1CN1CC[C@@H](B(O)O)C1	2303122228	CCXRAMLIGCRIFP-SECBINFHSA-N	238.100	-0.092	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2COCCCO2)C1	2303156799	FHAYTIAJYVDEDF-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
CCN1CC(CNC(=O)C2(B(O)O)CCC2)C1	2303163460	CDWDEQCXVOELSS-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CC(C)[C@H](CO)Nc1cc(B(O)O)c(F)cn1	2303835694	AOXDIMWFDZAGOV-VIFPVBQESA-N	242.059	-0.671	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2312856601	CYGVCDZAEUKEFG-QSKNDCFUSA-N	246.075	-0.825	50	10	BBGE	
C[C@H](O)C1(Nc2ccc(B(O)O)cc2C#N)CC1	2317151676	TYPGBTFZOZJLMF-QMMMGPOBSA-N	246.075	-0.437	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)CN1	2317307753	DGOBBKBLHJEGGM-LDYMZIIASA-N	248.091	-0.659	50	10	BBGE	
C[C@H]1NCC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317352081	SGPFVTDGTCTGCM-PELKAZGASA-N	249.075	-0.692	50	10	BBGE	
CCCC(=O)NNC(=O)c1nonc1N	20899753	DCKBMSSSQZRMCV-UHFFFAOYSA-N	213.197	-0.787	50	10	BBGE	
CCN(CC)CCCNCC(=O)NN	58844772	ZWXVBOVSPRTTOP-UHFFFAOYSA-N	202.302	-0.702	50	10	BBGE	
NNC(=O)CCC(=O)NCCN1CCCCC1	58846830	PUWSOOXYQNQSEI-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)CCl)CCC1=O	82757294	ILPJRYNIQNPFSZ-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
NNC(=O)c1ccc(CSCCO)nc1	87224086	MHYLCCGZHCHTRG-UHFFFAOYSA-N	227.289	-0.089	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	110580763	FTCWOTQWWKPYAV-MNOVXSKESA-N	242.367	-0.116	50	10	BBGE	
CC(C)(Cn1ccn2nccc2c1=O)C(=O)NN	130760316	APCXNTQHFJKEKZ-UHFFFAOYSA-N	249.274	-0.488	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC[S@](C)=O	135300123	KWIQWQWZZXOHLA-OVZGEXIGSA-N	240.712	-0.182	50	10	BBGE	
CC1=C([C@@H](O)CC(=O)O)C(=O)OC1=O	135766249	CFLFWEDIELSWOZ-BYPYZUCNSA-N	200.146	-0.778	50	10	BBGE	
COCCNC(=O)CNC(=O)[C@H](C)CCl	161201522	OYRBORHPYQGICA-SSDOTTSWSA-N	236.699	-0.260	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O	170154446	MQHXRECXBSFFAH-CIUDSAMLSA-N	228.101	-0.637	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)C[C@@H](C)O1	199014128	FJWWHSSJXJMTBC-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
OB(O)c1cncc(OCC(F)F)c1	212363605	YPFBVUPUDYCWNZ-UHFFFAOYSA-N	202.953	-0.595	50	10	BBGE	
COC(=O)N1CCCC[C@@H]1C(=O)NN	214296637	LQOTVYCYSZIITO-ZCFIWIBFSA-N	201.226	-0.403	50	10	BBGE	
CC[C@@H](O)[C@](N)(CCCCB(O)O)C(=O)O	218631377	FGSQEVXVYSPNEA-VXNVDRBHSA-N	233.073	-0.818	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)[C@H]1CO	227214981	YNMHHRCHPNCXJY-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
O=C1NCCC[C@H]1NS(=O)(=O)CCCl	232299313	OGCAZSUDKUISOC-ZCFIWIBFSA-N	240.712	-0.577	50	10	BBGE	
COC[C@@H](O)CNS(=O)(=O)CCCl	232299891	WQUZUDIAHMXPCK-LURJTMIESA-N	231.701	-0.848	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)C(=O)NN)C1(C)C	233773298	GMCZELDMTUHLTA-RQJHMYQMSA-N	229.280	-0.704	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@@H]2Cl)cn1	236113112	OHWQHXKWPOUSJD-PHDIDXHHSA-N	213.624	-0.233	50	10	BBGE	
Nc1nc(Br)ccc1B(O)O	238619637	YHBOINRXBBTQTI-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1CO	250691292	KSMBTXQMHCNYRQ-DTWKUNHWSA-N	215.297	-0.542	50	10	BBGE	
C[C@]1(C(=O)NNc2nnc[nH]2)CCCO1	293823935	GAISWOFUWHWANM-MRVPVSSYSA-N	211.225	-0.183	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)C[C@H]1C	302301037	FDRBOOQIAAJUKS-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
NNc1ccc(B(O)O)c(Br)c1	306938311	MRJQLGXXQXVCPJ-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1CCSC1	307696831	LCLJMGMYLACDBT-RXMQYKEDSA-N	219.335	-0.135	50	10	BBGE	
CCN1CCCN([C@@H](COC)C(=O)NN)CC1	307861124	IOADHPPMTRGLHM-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
COCOCc1cc(F)c(F)cc1B(O)O	309218190	WMITWMAKMVEHER-UHFFFAOYSA-N	231.991	-0.235	50	10	BBGE	
CC(=O)NC1CN(C(=O)CCCl)C1	388070980	QOUXUQBFLHUEOB-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
CC(C)(CCN1C(=O)[C@H]2C[C@@H]2C1=O)C(=O)NN	395599768	AWZAFWBMMKQKEQ-BQBZGAKWSA-N	239.275	-0.603	50	10	BBGE	
NNc1ccc(B(O)O)c(OC(F)F)c1	396100965	MZBPRDAXBXNIPV-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1C(=O)O	396132450	KVGNWIFGLCSNBX-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1CC#N	396136794	JMQBJWCPLHKOES-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
N#Cc1ccc(B(O)O)c2sc(CO)cc12	396224866	PIWQEJPAXMHTSV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1sc2c(B(O)O)cccc2c1O	396337687	HSGGKTOERWPTTM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCC[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	396466196	SYOYAAJCSVMGIU-MNOVXSKESA-N	241.071	-0.334	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)C[C@@H]1O	399887695	GWXIDDDCNPXWBW-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2CC2)C[C@@H]1C	402753396	BLCPHNFSVJWHJA-ONGXEEELSA-N	240.351	-0.077	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)C1CC1	404915623	OJEAFLGXLAMFHP-UHFFFAOYSA-N	223.012	-0.146	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[S@](C)=O	404940326	PPTZNKHACUVWKQ-HNNXBMFYSA-N	227.094	-0.908	50	10	BBGE	
C[C@H](C(=O)Nc1ccnc(B(O)O)c1)C1CC1	404958284	ICYPFXXEFUXSFH-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)NC1CC1	405132049	GWQMXQFKWDDDED-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
NNC(=O)N1CCO[C@@H](C(F)F)CC1	606279298	VOLFUOGYXAZMAB-RXMQYKEDSA-N	209.196	-0.074	50	10	BBGE	
C[C@@H]1C(C#N)=C(N)O[C@@H]2CCS(=O)(=O)[C@H]21	606654330	FITSQKVUOFOMJK-NJUXHZRNSA-N	228.273	-0.098	50	10	BBGE	
CO[C@@H](C)CN(CC(=O)NN)C(C)C	688010321	HXBIZEWZUJOFCU-QMMMGPOBSA-N	203.286	-0.278	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1CCC(=O)NN	688937828	VRONUHFQCFUPMJ-OCAPTIKFSA-N	201.270	-0.524	50	10	BBGE	
Cc1c(COc2ccc(B(O)O)cc2)cnn1C	690810284	XYYCSNCSNUXZCW-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CN(CC1C[C@@H]2C[C@H]2C1)C(=O)C(=O)NN	697974099	JBDGZBZAUZICOE-HTQZYQBOSA-N	211.265	-0.519	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)C[C@H]1CO	698217188	WQJJNJPTUSOSSY-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccnn2)n1	699002132	JTCRWUACBDQYKI-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1cc(C(=O)NN)no1	703552195	LJVYPCVLFZPRKQ-MUWHJKNJSA-N	241.247	-0.170	50	10	BBGE	
CCN[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	707984946	MHRMWVANPJCPGA-VIFPVBQESA-N	225.292	-0.139	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H]1OC	724137478	ILHGRNZQCIJYRJ-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CN1C(=O)C[C@H](NCCCl)NC1=O	953055353	DYJNSONKJVNTOA-RXMQYKEDSA-N	205.645	-0.287	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)CC#N	1175508322	ADXHVMQZFMHZHT-UHFFFAOYSA-N	222.291	-0.291	50	10	BBGE	
Cn1ncc(C(=O)NNc2ncncc2F)n1	1468488509	UAHXITNJTSDFFZ-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1cc[nH]n1	1584326854	JKXJMAJDBHUTMG-UHFFFAOYSA-N	234.219	-0.864	50	10	BBGE	
O=C(NCC#CCO)[C@@H]1C[C@@H]1Br	1877347768	QDRBILJCIZQUAH-RQJHMYQMSA-N	232.077	-0.118	50	10	BBGE	
O=S(=O)(CCCl)NO[C@@H]1CCOC1	1883245424	LTTPHXBZORPKCD-ZCFIWIBFSA-N	229.685	-0.135	50	10	BBGE	
CN1[C@H](CNOCCCl)CCS1(=O)=O	1888294807	WNZFQNULUTXJMP-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
O=C1CN([C@@H]2COC[C@@H]2F)CC(=O)O1	1888861971	MIDXJUZPFKUBPB-NTSWFWBYSA-N	203.169	-0.891	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](N)CO	1889780819	DBDWIHDJTWUMNF-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[S@@](=O)C1CN(C(=O)C=CC(=O)Cl)C1	1893410276	HKXNIOCTEOKATL-CQSZACIVSA-N	235.692	-0.103	50	10	BBGE	
NCc1nc(NC(=O)[C@H]2C[C@@H]2Cl)n[nH]1	1893462023	VKGBDHOBYNBFKY-IMJSIDKUSA-N	215.644	-0.171	50	10	BBGE	
NC(=O)NCCNC(=O)/C=C/C(=O)Cl	1893498339	RXHSQAHJBLCCOK-OWOJBTEDSA-N	219.628	-0.908	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@@H]2C1=O	1893853117	MANYWPIVGDSSCQ-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCCO2)O1	1896930884	XHYKYKQOYKDWDF-IUCAKERBSA-N	229.280	-0.449	50	10	BBGE	
CO[C@H](C)[C@H](NC(=O)C(=O)NN)C(F)(F)F	1900078333	MUTQHBFDNGDKOA-DMTCNVIQSA-N	243.185	-0.942	50	10	BBGE	
NNC(=O)C1(COC[C@H]2CSCCO2)CC1	1902533158	WVYQZTXJYFGFLN-QMMMGPOBSA-N	246.332	-0.095	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N1CC[C@](C)(B(O)O)C1	1902549429	BNOKBPICIFYETN-AEJSXWLSSA-N	229.085	-0.661	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(C(=O)/C=C/C(=O)Cl)C1	1902704409	PLUPLSWZZWIILO-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
CC[C@](C)(CN1CC([C@@H](C)O)C1)C(=O)NN	1902716795	XARVOHRAQJLLKC-LDYMZIIASA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2O[C@H]3CC[C@H]2C3)n1	1905108067	CDNSTPRZUAYEKS-CIUDSAMLSA-N	222.053	-0.870	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2OC[C@@H](C(=O)O)[C@@H]2C1	1905907717	AOZSFJKVHDBXOJ-RNJXMRFFSA-N	243.263	-0.796	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1CC[C@@H](C(=O)NN)O1	1913513235	DEBZLTNBKUJLGV-BQBZGAKWSA-N	235.309	-0.749	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCCCCC(=O)NN	1914255495	NLUJRRFEKCOJEA-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@](F)(CO)C1	1917086130	DSCMGBMVRBHIDU-WPRPVWTQSA-N	233.287	-0.449	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(C(=O)NNC=O)C1	1923417391	VESMUGNZCSXZAJ-UHFFFAOYSA-N	243.263	-0.370	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]2(CCCO2)C1	1928031928	CVQDSAAVKIRENR-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CC1)C(F)(F)F	1928595839	PUKNPCCJACRQEP-BYPYZUCNSA-N	225.170	-0.567	50	10	BBGE	
O=C(NNCCO)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	1929837082	UMRGVKIGHMAOAE-RBXMUDONSA-N	210.277	-0.108	50	10	BBGE	
O=C1CN(C[C@@H]2COCCCO2)CC(=O)O1	1939092833	SFCGPCYXXMUFMV-MRVPVSSYSA-N	229.232	-0.823	50	10	BBGE	
C[C@]1(CO)CCCCN1C[C@H]1C[C@@H]1C(=O)NN	1941086083	GZNZBEINLOABLT-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CN1CC(N(C)Cc2nc(C(=O)NN)co2)C1	1941725939	OWVLWUDQBPVEMW-UHFFFAOYSA-N	239.279	-0.976	50	10	BBGE	
CCN1CC[C@@H](N(C)CC2(C(=O)NN)CC2)C1	1945884432	QLIFIRINBZAPIZ-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](C1CC(=O)OC(=O)C1)S(C)(=O)=O	1951606757	CJOUUOFFXNVTAY-YFKPBYRVSA-N	220.246	-0.101	50	10	BBGE	
O=S(=O)(CCCl)N1CC([C@H](F)CO)C1	1955028684	OVUBQMWKGUXCIJ-SSDOTTSWSA-N	245.703	-0.183	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)[C@H]2COC[C@H]21	1955240627	OWHMNYPLXBFHRP-XAVMHZPKSA-N	216.668	-0.191	50	10	BBGE	
C=C1CON(c2ccc(B(O)O)cn2)C1	1961692084	RPUNEQJWYWUOAO-UHFFFAOYSA-N	206.010	-0.931	50	10	BBGE	
O=C(c1cccnn1)N1CCC(B(O)O)CC1	1964500740	NTFWMBJSZKNTMW-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
N#Cc1c(Cl)cc(B(O)O)cc1[N+](=O)[O-]	1974578054	XITOIZDNSXBYHI-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
NNC(=O)c1coc(CN2CC(CF)C2)n1	1976239122	FSQIXIBNSBOUIS-UHFFFAOYSA-N	228.227	-0.321	50	10	BBGE	
NNC(=O)COCCN1CC2CC(F)(C2)C1	1978281904	LOJMGCXQFZPZSL-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CC12CC2	1979192175	WPTITMKJMJCORG-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@H](C)COc1ncncc1B(O)O	1981422057	IWDYFDCPPNJDFR-QMMMGPOBSA-N	224.069	-0.029	50	10	BBGE	
COC[C@@H]1CCN(c2nc(B(O)O)cs2)C1	1981471282	HQZOLJKZFAGLTR-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
CC1(C)[C@H]2CN(c3nc(B(O)O)cs3)C[C@H]21	1981471340	IIWWXLQAONYYIM-KNVOCYPGSA-N	238.121	-0.085	50	10	BBGE	
CCN(CC)CCOC[C@@H]1C[C@@H]1C(=O)NN	1982847933	FOPZXROHYQDKLU-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
OC[C@@H](O)CN1CCN(CC=CCCl)CC1	1983983677	DTROLAYKLFJXIC-NSHDSACASA-N	248.754	-0.248	50	10	BBGE	
OB(O)c1cnn(CC23CC(CCO2)C3)c1	1984444246	GLDYFFGNMALZDB-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
CC1CCN(C2CN(CC(=O)NN)C2)CC1	1987898259	RVTOZFSIHJVCPP-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COCC[C@H]32)CC1	1989937069	VNPYRJZTXLPDKM-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1O	1992071924	YOSZVULSNMDMNF-DCMFILABSA-N	247.678	-0.348	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	1992596164	OXCHRRLOSRIPKM-BWZBUEFSSA-N	223.276	-0.329	50	10	BBGE	
Cc1nnc([C@H]2CCCN2[C@H](C)C(=O)NN)o1	2004409095	FQHASHUIUUVMDK-HTRCEHHLSA-N	239.279	-0.107	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCC[C@H]3C2)nc1	2004912722	XJAZCYABJSLBSJ-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
OB(O)c1cncnc1N(CC(F)F)C1CC1	2004916062	HJFPTJWKLGBLDL-UHFFFAOYSA-N	243.022	-0.610	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2C[C@@H]2C)c1B(O)O	2004973335	SSLOVRUXLLMLFM-CBAPKCEASA-N	235.096	-0.443	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)CCn1cc(C(=O)NN)nn1	2005109466	BWJLDVASDOCLLP-APPZFPTMSA-N	238.295	-0.778	50	10	BBGE	
C[C@H]1[C@@H](Cn2cccc(B(O)O)c2=O)C1(F)F	2008844529	ORYMBXFEHMBVIJ-NKWVEPMBSA-N	243.018	-0.571	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1CC2(COC2)C1	2011121806	ZQDNNLXDVVKRCT-SCZZXKLOSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC=C[C@@H]1CO	2011254281	QURWHWLGNZSJJQ-MRVPVSSYSA-N	249.261	-0.376	50	10	BBGE	
Cc1nc(OC[C@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2011602496	WPMPIOWCCYAWTN-SRSLHRDFSA-N	236.080	-0.254	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1ncc(F)cc1B(O)O	2014926590	PGEPPBHYKUTWMX-HZGVNTEJSA-N	242.034	-0.305	50	10	BBGE	
CC1(C)C[C@H](Cn2cc(B(O)O)ccc2=O)O1	2015574634	UQWIYCYJHXREHG-SECBINFHSA-N	237.064	-0.904	50	10	BBGE	
Cc1nc(NC(=O)C2CCC2)ncc1B(O)O	2015731056	UJXPDJFIUYIBOQ-UHFFFAOYSA-N	235.052	-0.797	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CC[C@@H](C)OC1	2019207340	BGXQZFIEEQKLEJ-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
CCOCCNC(=O)N[C@H]1CCC=C1B(O)O	2020061354	GJNQOGRZJWKPHY-VIFPVBQESA-N	242.084	-0.577	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CCN(C)C1	2021069523	ZMHNIBQNMPCKDW-JTQLQIEISA-N	236.080	-0.847	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncc(B(O)O)cn2)CCO1	2025212392	ORTQFBSUFGDAKQ-CBAPKCEASA-N	238.052	-0.897	50	10	BBGE	
NNC(=O)C1(COn2nnc3ccccc32)CC1	2033707628	JMKUHYSJMKFZDY-UHFFFAOYSA-N	247.258	-0.370	50	10	BBGE	
Cc1nc(N(C)C2CC3(CC3)C2)ncc1B(O)O	2052558615	VIRBYZDCFJBIBZ-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
COc1cc(B(O)O)c(C#N)cc1Cl	2060111222	LBCRUXYDLVKBST-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1ccc(C)c(C=O)c1B(O)O	2060147654	LXVOWCNMOLXFTO-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)c2ccccc2B(O)O)CO1	2079012801	ZVEZQVSMMGSVLE-DTWKUNHWSA-N	249.075	-0.726	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H](C)[C@H]3C2)n1	2085520209	SOSALSOBNAGOAY-FKTZTGRPSA-N	247.107	-0.443	50	10	BBGE	
CO[C@H]1C[C@@H](COc2nc(B(O)O)cs2)C1	2212235645	VNRTUJLXPPDVIV-KNVOCYPGSA-N	243.093	-0.373	50	10	BBGE	
C[C@H](CCO)Nc1nccc(B(O)O)c1F	2212606593	WOWIVZWLSBEEQL-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2(CCCO2)C1	2215772772	PWWZOGVWQZPIEL-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H](CCO)C1	2215774833	YHOOEJJLTNYIAG-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
C=CCC[C@H](N)COc1ncccc1B(O)O	2217167009	QQMILJHLELIRDK-VIFPVBQESA-N	236.080	-0.566	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CO1	2217179618	NMUUERZSOUXZPQ-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(NC[C@@H]2C[C@H]2CO)cc1B(O)O	2217180977	MSBLBRHLQUTCPT-IUCAKERBSA-N	236.080	-0.890	50	10	BBGE	
CC[C@@H](CCCO)Nc1cc(B(O)O)ccn1	2217197378	LUIUFLMTPFWIHG-JTQLQIEISA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccc(F)cc1OCCOCCF	2217426585	JHMBFWLJDQYDPR-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
Cc1cnc(OC[C@]23CNC[C@@H]2C3)cc1B(O)O	2223631363	VZMWYDQDAJXMHS-CABZTGNLSA-N	248.091	-0.942	50	10	BBGE	
CC1(C)C[C@@H](N)CN(c2ccc(B(O)O)cn2)C1	2223635074	RZICFPYBXOENCD-SNVBAGLBSA-N	249.123	-0.675	50	10	BBGE	
Cn1cc(Nc2ccc(B(O)O)cn2)ccc1=O	2223650717	PZVQCFKCSRARPY-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
OB(O)c1ccc(OC2C[C@H]3CNC[C@@H]3C2)nc1	2223653788	KQGXVRUAUNYUME-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
C#CCN(CC#CC)c1nccc(B(O)O)c1F	2223654128	XGCZYRZCACYYHG-UHFFFAOYSA-N	246.050	-0.637	50	10	BBGE	
C[C@H]1CCC[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223666825	OQKHRAVRYOLNKF-UWVGGRQHSA-N	249.123	-0.184	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243350198	XKFBDJGXZNKWGE-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(B(O)O)c[nH]1	2243356140	BWDXSHRRXDJEET-UHFFFAOYSA-N	220.037	-0.857	50	10	BBGE	
O=C(Nc1cnoc1)c1sccc1B(O)O	2243357472	XFZQEELOORUVLT-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCNCC1	2243397172	WXSMSAXREAKXLM-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397812	JONLLXRSJJXJQW-CIUDSAMLSA-N	226.085	-0.953	50	10	BBGE	
CC1CCC(CNC(=O)C#CB(O)O)CC1	2243400454	BHOSYXMYPSCYLB-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)C#CB(O)O)CC1	2243401785	WPJQRPLYEYFGOW-DTORHVGOSA-N	225.053	-0.924	50	10	BBGE	
C=CCN(C)C(=O)c1cc(C)c(B(O)O)s1	2243409958	RYJJQSCXHRNQDC-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1nscc1B(O)O	2243410194	WUNBHORMACGJSE-IYSWYEEDSA-N	240.093	-0.649	50	10	BBGE	
COc1ccc(C(=O)N(C)C)c(B(O)O)c1	2243413306	DFHCZPWLCLLJFB-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)sn1	2243414780	IELYELAEXKJRLJ-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1CO)C1CC(B(O)O)C1	2243416112	HBZDRDJCEDYNQB-MDVIFZSFSA-N	227.069	-0.874	50	10	BBGE	
CCC(CC)CNC(=O)c1cc(B(O)O)n[nH]1	2247783262	BSQPFUJAECYZSR-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247798531	VETFSRHVIGHYGG-FNCVBFRFSA-N	241.096	-0.485	50	10	BBGE	
CCc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2247803900	DPIJFVSMGJCAES-YUMQZZPRSA-N	238.052	-0.284	50	10	BBGE	
N[C@H](CNC(=O)C1CC(B(O)O)C1)C1CCC1	2247805183	JSLTZDYTDCKYSW-UDNWOFFPSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)CO	2247805656	CBLZHUCLLOANNS-REIXXSIJSA-N	241.096	-0.674	50	10	BBGE	
COC[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807407	HWWLZXFGBAYKTM-XKNYDFJKSA-N	241.096	-0.362	50	10	BBGE	
NC[C@]1(F)C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247809502	PTEDXTRNAFXAGH-ODXREFDESA-N	244.075	-0.958	50	10	BBGE	
CO[C@H]1CCCC[C@H]1N(C)C(=O)C#CB(O)O	2247848304	JYYFSHIGTWMVKB-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
Nc1ccc(F)c(NC(=O)C#CB(O)O)c1F	2247848342	KSJBPKBMJRSWPM-UHFFFAOYSA-N	239.974	-0.499	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C#CB(O)O)[C@H]1CCO	2247851128	WABJLLMJLVZMNN-ZJUUUORDSA-N	239.080	-0.989	50	10	BBGE	
C[C@H]1CN(C(=O)c2occc2B(O)O)C[C@@H]1C	2247853839	SIBQGHGOFQJMEK-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247859696	OEPOKVNUYNDAKR-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
O=C(N1C[C@H]2CC(O)C[C@@H]2C1)C1(B(O)O)CC1	2247874954	VELQFKHYAOVFHP-HTQZYQBOSA-N	239.080	-0.777	50	10	BBGE	
O=C(NC1(CO)CCCCC1)[C@@H]1C[C@H]1B(O)O	2247897716	WIMVDFRPRJCCSB-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@@H]21)[C@@H]1C[C@H]1B(O)O	2247899492	NPFSNRPJQRIVMB-CHHOWFRJSA-N	239.080	-0.610	50	10	BBGE	
CC#CC[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900617	YISDOHSENODNIX-OPRDCNLKSA-N	239.080	-0.870	50	10	BBGE	
CC(C)N(C)C(=O)c1ccc(B(O)O)cc1O	2247964453	YTPHFVKPBLBPMS-UHFFFAOYSA-N	237.064	-0.448	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@H](C)CO	2248442646	UGSDDCRKJGXNJC-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
CC[C@@](C)(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248573290	BVVSQSGGUCXYLG-SECBINFHSA-N	243.068	-0.247	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248578109	QFHJGHFVJJWJQO-DBRKOABJSA-N	247.031	-0.833	50	10	BBGE	
C[C@]1(CC(=O)O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248588143	ZFQNYWYTXLMFST-NYNCVSEMSA-N	241.052	-0.685	50	10	BBGE	
CN1CC[C@](C)(COC[C@H]2C[C@H]2C(=O)NN)C1	2253318594	DSNBOJGKFSXJNZ-FOGDFJRCSA-N	241.335	-0.029	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1[C@H]2CCC[C@H]21	2255464094	RHOJOBLSHLQMKY-JZYVYDRUSA-N	248.091	-0.435	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255486648	DILUNFZLAKQVLB-QMMMGPOBSA-N	248.091	-0.236	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(OC)ccc1B(O)O	2255502294	GUMMGZIKNQKQDZ-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
O=C(NCCc1ccc(O)cc1)[C@@H]1C[C@H]1B(O)O	2255569761	YUCOCSNVKWFWSS-GHMZBOCLSA-N	249.075	-0.086	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CC[C@@H]2C1	2255727034	ZVHMQQUQFUHFHJ-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
Cc1cc2n(n1)CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2255769560	LKSCPRQZZHDBNV-NXEZZACHSA-N	249.079	-0.603	50	10	BBGE	
C=CCN(CC)C(=O)c1ccc(B(O)O)cc1O	2255951757	KGRWPKMCFITJLF-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1nccnc1B(O)O	2256045475	LVHJAQGXMJXEGU-WRWORJQWSA-N	249.079	-0.925	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H](O)Cc1ccccc1	2256670798	JYBQFBDAFVNRSC-LLVKDONJSA-N	249.075	-0.726	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1cc(B(O)O)co1	2258130607	JKUDCFLGRYZNLP-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
N#CC[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(F)(F)F	2298368470	GPVVWWWQFURYFD-KVQBGUIXSA-N	249.985	-0.190	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@@H]1C[C@@H]1B(O)O	2298377130	GAMURDBJRKJEMF-SVSWQMSJSA-N	239.080	-0.657	50	10	BBGE	
COC1(CO)CN([C@H](C)CCCC(=O)NN)C1	2302053200	QCEUBGHFIVBLJV-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
O=c1ccccn1CCN1CC[C@@H](B(O)O)C1	2303097420	BAJKHQDWJLPDBG-SNVBAGLBSA-N	236.080	-0.603	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCOc1ncncc1B(O)O	2303612133	SKRGIAMMJWMSIF-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@H]2COC[C@H]21	2317163698	ZNAFEEGNTQWFPV-IAZYJMLFSA-N	244.059	-0.705	50	10	BBGE	
N#Cc1nccn1-c1ccc(C=O)c(B(O)O)c1	2317308702	MLJYSWMSDCQKBP-UHFFFAOYSA-N	241.015	-0.764	50	10	BBGE	
N[C@@H](CCC[C@@](N)(CCl)C(=O)O)C(=O)O	26264761	GAAZDRFRBSKQJW-YLWLKBPMSA-N	238.671	-0.411	50	10	BBGE	
COC(=O)c1cccc(OCC(=O)NN)c1	31847799	DNCZSYJJVZKZSL-UHFFFAOYSA-N	224.216	-0.158	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H]2CCCC[C@@H]21	43428923	KNWHDHAQOJVWBZ-JGVFFNPUSA-N	227.264	-0.854	50	10	BBGE	
NNC(=O)c1ccc(N2CCNCC2)cc1	77017377	AYUXWXVJPQPRME-UHFFFAOYSA-N	220.276	-0.300	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H]1CO	82470218	IAOYUZVUTQJNMF-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CCNCC1	82470932	YTKNNZXBOSZWDN-VIFPVBQESA-N	214.313	-0.561	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSc2ncn[nH]2)O1	82471863	GPOKLKKBFWLCII-RITPCOANSA-N	243.292	-0.566	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC/C1=N\NC(N)=O	83397242	VFSHKRSQTKQRKK-KCXGFMAWSA-N	219.266	-0.392	50	10	BBGE	
NNC(=O)c1cn(CCSC2COC2)nn1	86196127	WZTPBVNAUSSITK-UHFFFAOYSA-N	243.292	-0.986	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)[C@@H]3C[C@H]3C2=O)c1	113667881	YNCIUHRAXWLFOM-HTQZYQBOSA-N	249.226	-0.612	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CCO)C1	159982126	CDEDHYSNCNMGAX-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(O)CCCC1	162483124	USTRODJPCXAADO-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CCCC1	169907077	BGWPFLQTIWSNPG-UHFFFAOYSA-N	235.092	-0.029	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCN1C	216590819	DCOYSINEDPXSIY-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCN(C)C(=O)C1	229088164	LDBHVQUBAQEDKX-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc2c1CCCC2	232421144	UQFCBHYINGIZNM-JTQLQIEISA-N	238.291	-0.061	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)S(=O)(=O)CCl	234380827	PEMYZBFZPAFHDY-ZCFIWIBFSA-N	242.728	-0.174	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CCS1	252982314	VUCNTNKNOKUFQJ-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COC[C@H]2Cl)n1	306221101	VOTQKIJHACUMIJ-IYSWYEEDSA-N	230.655	-0.449	50	10	BBGE	
OB(O)c1ccc([C@@H]2CCCNC2)c(F)c1	309496757	DVHDECLKMFROOB-MRVPVSSYSA-N	223.056	-0.028	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H]1CO	310117693	HMIFMUOMEDPODF-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](O)CC1	378798166	RUCQUKIMGHGPBY-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
N#C/C(C(N)=S)=C(/N)CC(N)=S	384194665	VMAYTJKIQVJFRF-ARJAWSKDSA-N	200.292	-0.315	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)[C@@H](C)O1	384960426	SDSNXRJGQAETSM-QYNIQEEDSA-N	215.253	-0.999	50	10	BBGE	
CCN=c1ncc(C(=O)NN(C)C)c[nH]1	389360611	OWOBPICGMQSZPI-UHFFFAOYSA-N	209.253	-0.463	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCN(C)C1)C(=O)NN	389609538	APQSGQNNBXHFCU-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
COC[C@H](N)C(=O)NNC(=O)CC(C)C	390435420	RTYGABJKZBWMRL-ZETCQYMHSA-N	217.269	-0.846	50	10	BBGE	
O=CCCc1ccc(B(O)O)c(S)c1	396036295	ZKNVGCKASPBVOC-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
CCOc1ccc(CCC=O)cc1B(O)O	396100885	QEYRSADOUVAHBS-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
CC[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@@H]1O	399955985	ZSMCYKXQDAGKCU-UTLUCORTSA-N	229.324	-0.296	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CCCOC1	404933501	GMCZJFPVOKUHJN-VIFPVBQESA-N	249.075	-0.269	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(B(O)O)cc1	404994923	FWYJJOVSHQXEHC-HNNXBMFYSA-N	227.094	-0.150	50	10	BBGE	
C[C@H](CN1CCC[C@@H]([C@@H](C)O)C1)C(=O)NN	688960510	QTQLJVSUAZZCBS-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1C	690064217	AAEUPURTEIPAAW-KOLCDFICSA-N	249.075	-0.352	50	10	BBGE	
COCC(=O)CN1CCC(O)(C#N)CC1	692165996	ZNDHWMQSWNNKEO-UHFFFAOYSA-N	212.249	-0.448	50	10	BBGE	
NNC(=O)CCCCN1CC2CC1(CO)C2	694581973	BAKPZJYHMULJIX-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
COC(C)(C)CC(=O)NNC(N)=S	700866396	RYCLCUBJMGDTPQ-UHFFFAOYSA-N	205.283	-0.334	50	10	BBGE	
COC[C@H]1CN(CCCCC(=O)NN)CCO1	705870238	UKZKHBSFMDEQJC-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)c1ncc(CN2CC[C@@H](N)C2)s1	711157271	GVPXZUDOZLLFFW-ZCFIWIBFSA-N	241.320	-0.720	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCS[C@@H](CO)C1	720058844	BYGLXJPWDUYAKX-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@H]2C)c(C)c1B(O)O	722833401	IWWDVNLCBNHBQD-MUWHJKNJSA-N	208.070	-0.164	50	10	BBGE	
CN(CCCl)[S@@+]([O])(=O)c1c[nH]n[n+]1C	725702950	RRSULVDXPNFUCO-UHFFFAOYSA-O	239.708	-0.476	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)C(C)(C)O	768262011	QGIGTDZEOZLFMR-UHFFFAOYSA-N	218.253	-0.670	50	10	BBGE	
CSC(C)(C)C(=O)NNC(=O)c1cnn[nH]1	826583452	CFXJJLHEPBZPJX-UHFFFAOYSA-N	243.292	-0.293	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1(C2CC2)CC1	896129367	SJKYIEJWOJEERL-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
Cc1cccc(NNC(=O)C2(O)COC2)n1	1301230552	UWTVEZKELARJRQ-UHFFFAOYSA-N	223.232	-0.406	50	10	BBGE	
CCCONC(=O)NNC(=O)c1cnsn1	1312917885	IYJFZSOFESXBJA-UHFFFAOYSA-N	245.264	-0.176	50	10	BBGE	
NNC(=O)c1cn([C@@H]2CCCNCC2)nn1	1329936039	BPZCELKSEFOEHX-SSDOTTSWSA-N	224.268	-0.804	50	10	BBGE	
C=C(C)CCC(=O)NNC(=O)[C@H]1COCCO1	1457156828	TWPSAHJLULGYTQ-SECBINFHSA-N	242.275	-0.095	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cccc(B(O)O)c1	1583407864	HIBVAPAJCJSCEI-MRVPVSSYSA-N	235.048	-0.398	50	10	BBGE	
CNC(=S)N(C)NC(=O)CCc1nc[nH]n1	1638540830	VQYGJIMIDJMNPD-UHFFFAOYSA-N	242.308	-0.795	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCn2c(nn(C)c2=O)C1	1857663403	CGHUCQSPKAINOQ-LURJTMIESA-N	244.682	-0.449	50	10	BBGE	
C[C@H](CCCl)C(=O)NC[C@@H](O)CO	1882474706	IRCVWNXGALIPTK-RNFRBKRXSA-N	209.673	-0.279	50	10	BBGE	
NC[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl	1883567368	OSVIYAMMTUKEHB-IWSPIJDZSA-N	203.717	-0.154	50	10	BBGE	
N[C@H]1C[C@@H](NC(=O)C=CC(=O)Cl)C1	1883624458	RJAMTTJHGSSIKS-OLQVQODUSA-N	202.641	-0.086	50	10	BBGE	
O=C(CCCl)N1CCC[C@H]1[C@H](O)CO	1885363499	GMTKCKNCVCIAHS-JGVFFNPUSA-N	221.684	-0.041	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1[C@@H]2CNC[C@@H]21	1893504557	JKSNZGLXWNNUFR-UFMYQOJPSA-N	214.652	-0.358	50	10	BBGE	
Cc1scnc1CN(C)CC(=O)NN	1900559175	RXRZSHUVRPCGIN-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@@H]1CF	1909489276	NZLUPKPFTYWGJK-HTQZYQBOSA-N	237.039	-0.090	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)C12CCC2)C(=O)NN	1914396486	OAQHPVGFZJEMQU-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CN1CCC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923409363	RGHIJFIUYTWQCZ-YFKPBYRVSA-N	239.197	-0.210	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](F)[C@H](F)C1	1927918586	VCUIRXLJAOAMMY-XUTVFYLZSA-N	219.235	-0.396	50	10	BBGE	
CN(C)[C@]1(C)CCN(CC(=O)NN)C1	1930373494	KMNLCVBSYZNGIM-SECBINFHSA-N	200.286	-0.998	50	10	BBGE	
CC[C@H](COC)O[C@H](COC)C(=O)NN	1931008427	SIHRIUACAVBMSF-HTQZYQBOSA-N	220.269	-0.567	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCOC1	1936094243	LORQAADSOFGMLO-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1[C@H]2CCC[C@H]12	1938329109	DVLZTPWKLXOLSQ-XHNCKOQMSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CCCCOC[C@H]1COCCO1	1939106380	UQEDIGMVUNCUCC-VIFPVBQESA-N	232.280	-0.421	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COCC[C@@H]21	1941371948	FWRIWRSWZPSLFF-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
CN1C[C@@H]2CC[C@H](N3CC(=O)OC(=O)C3)[C@H]2C1	1944695568	RUVVXPBQSFZOBX-GUBZILKMSA-N	238.287	-0.288	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](O)(COC)C1	1946461520	XUXUULLNIZGVIE-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
COC1(C(=O)CBr)CNC1	1953156191	MMTKOMJAQNGELN-UHFFFAOYSA-N	208.055	-0.061	50	10	BBGE	
OCC1(O)CN(CCCBr)C1	1953326491	NZMOPUYOVRIIPD-UHFFFAOYSA-N	224.098	-0.190	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1	1954505966	KYNVEEZDOWVKJQ-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
CN(C)NC(=O)[C@]1(C)CC(F)(F)CN1	1955147740	OWSNMVPYUXHHAW-ZETCQYMHSA-N	207.224	-0.034	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1955570473	XYDSQIMJSMSIOG-XLPZGREQSA-N	220.700	-0.205	50	10	BBGE	
CON([C@H]1CCOC1)[C@H](C)C(=O)NN	1956249960	BPLWVSNLDNUDFG-RQJHMYQMSA-N	203.242	-0.983	50	10	BBGE	
Cc1cnc(CN(C)CC(=O)NN)s1	1956762898	JSSMAMOMKCYTOF-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCC[C@H]21	1960135072	PWRDVTFGVFIFMM-HRDYMLBCSA-N	213.281	-0.788	50	10	BBGE	
CC(C)C[C@H]1CC(=O)N(CC(=O)NN)C1	1961309256	XCOLAXIIJFLJBK-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCO2)n1	1961705600	FEOCTCYIPHFVMN-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
Cc1nc(N(C)CCF)ccc1B(O)O	1961719221	ZVGUOYJZZBWEPM-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(F)(F)F)C(=O)C(=O)NN	1976549718	XLBKPFZLMAIVIM-UHNVWZDZSA-N	239.197	-0.367	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1976630226	XCMQROFBTRVQFO-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CN(C)[C@H]1CC[C@H](O)CC1)C(=O)NN	1976638642	FBHCEOISWHHJNB-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@@H]1NC(=O)C(=O)NN	1977515103	OJKDTZZDLFKPAU-GJMOJQLCSA-N	229.280	-0.704	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@H]2COCC[C@@H]21	1980828681	PMSDCVGWQWVIBQ-VGMNWLOBSA-N	245.348	-0.429	50	10	BBGE	
CON(c1ncc(B(O)O)cn1)C1CCC1	1981414760	VTWABUGIDGAPCB-UHFFFAOYSA-N	223.041	-0.923	50	10	BBGE	
Cc1ncn(-c2ccncc2B(O)O)c1C	1981454403	IVMGJICFBWGPCZ-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	1986052792	DHFFMYGHFMXLCG-AXTSPUMRSA-N	227.308	-0.136	50	10	BBGE	
COC(=O)N(C)[C@@H](C)c1nscc1B(O)O	1987160553	COFRZPCJWGPKOI-YFKPBYRVSA-N	244.081	-0.418	50	10	BBGE	
OB(O)c1ccn(C[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)n1	1989170939	IWSHZYFWRULOOW-UBVHSMIISA-N	218.065	-0.535	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CC(F)(F)C1	1990776801	PJDJEAUIFOFMNQ-UHFFFAOYSA-N	235.234	-0.117	50	10	BBGE	
CC[C@@H](COC)CC(=O)NCC=CB(O)O	1991333671	UOXYPQRXURZYAX-SECBINFHSA-N	229.085	-0.267	50	10	BBGE	
CN1C[C@H](C(=O)NC[C@@H]2C[C@@H]2Cl)NCC1=O	1991431711	GMVLWIOGSJKGFB-BIIVOSGPSA-N	245.710	-0.840	50	10	BBGE	
CN1CCO[C@H](CNC(=O)/C=C/C(=O)Cl)C1	1991712891	MJMJQUFBXBPXHO-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCc2nccn2C1	1997477883	AIIUAACTCMLBCZ-VIFPVBQESA-N	237.307	-0.633	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	2001046205	NAIACFRFXUNLKH-YUSALJHKSA-N	241.335	-0.151	50	10	BBGE	
CC1(N)CN(CC(=O)NNc2ccccn2)C1	2001287732	XBUYNAVUTRWRIX-UHFFFAOYSA-N	235.291	-0.442	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCCC12COC2	2001490864	QGNSBIKCFUASHO-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
CCCNC(=O)[C@@H]1CCCN1[C@H](C)C(=O)NN	2003617711	HKJFVCZSPRELDO-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1ccccc1CN1CCO[C@@H]2C[C@H]21	2004486098	HNLRZBRAIQARBE-VXGBXAGGSA-N	233.076	-0.661	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)CCn1cc(C(=O)NN)nn1	2005109482	BWJLDVASDOCLLP-VXNVDRBHSA-N	238.295	-0.778	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2005804866	CBTAOLRXIBCYQO-FTYOSLGDSA-N	230.076	-0.394	50	10	BBGE	
COC[C@@H]1CN(CCOCC(=O)NN)C[C@H]1C	2006565306	ZXPQXKSAZGBINH-ZJUUUORDSA-N	245.323	-0.793	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C(=O)N(C)C)C1	2008307908	KRLOCVDNIVLHQL-YUMQZZPRSA-N	242.323	-0.979	50	10	BBGE	
CCN(CC1(O)CCC1)[C@@H](COC)C(=O)NN	2010573139	QIEOVOTVQDPPSB-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1cn(CCOC(CF)CF)nn1	2011746466	KZNDGOVXCXOQOR-UHFFFAOYSA-N	249.221	-0.794	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@@H]1CF	2016765424	KACMAYCIPHWGMV-XCBNKYQSSA-N	237.039	-0.090	50	10	BBGE	
N#Cc1ccc(C(=O)NCC=CB(O)O)cc1	2020056191	IRQPVQHGFZMDTO-UHFFFAOYSA-N	230.032	-0.144	50	10	BBGE	
N#Cc1ccc(C(=O)NCC=CB(O)O)nc1	2020059909	RRIPWGXCFMLXFX-UHFFFAOYSA-N	231.020	-0.749	50	10	BBGE	
C[C@H](CCC(=O)NN)OCC1COCCOC1	2024300363	PPLCMXCRNCQVTL-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
COC[C@@]1(C)CCCN1CCOCC(=O)NN	2024860940	RUYCIYUBJGTDLN-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
COc1cc(B(O)O)cc(OC(F)F)c1OC	2060185799	YJLCRYJPYHMMCF-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1	2079007909	BJTAKJVASUZMEU-MWLCHTKSSA-N	249.075	-0.869	50	10	BBGE	
OB(O)c1cncnc1OCc1cccc(F)c1	2083863833	GGEPQGZWJWZLQI-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN1CCC[C@H]1COC[C@H]1C[C@H]1C(=O)NN	2211862299	TUUSTQDOVNRUSM-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C[C@@H](C)CO)C1	2212363222	SGZFQIMNCLUNDJ-PSASIEDQSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CSC[C@H]1Nc1ccc(B(O)O)cn1	2212602823	KGZABGVFZDHJDY-IONNQARKSA-N	238.121	-0.075	50	10	BBGE	
C#CCCCCOc1ncccc1B(O)O	2212605117	YEPFADBKZYCGHE-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
CC[C@@H](CN)Oc1nccc(B(O)O)c1F	2212608741	LHOWKHLOGWUEEK-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
C[C@H](C#N)CN(C)c1ncccc1B(O)O	2212611011	SSDDZJJFYMBUGK-MRVPVSSYSA-N	219.053	-0.643	50	10	BBGE	
CNCCCCOc1cc(B(O)O)ccn1	2212613729	PGLSWGLBGXBVDZ-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2214605578	MVSHWKKMKXEHAC-SKDRFNHKSA-N	235.092	-0.679	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)c1ccnn1C	2215777195	RBVMEIAYQYAJST-DTWKUNHWSA-N	237.307	-0.128	50	10	BBGE	
Cc1cn(-c2nccc(B(O)O)c2F)c(C)n1	2217162148	GYGPABFYMMCCAT-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1Nc1ncccc1B(O)O	2217173899	UWGFUFUSLAWCHV-ZJUUUORDSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCC[C@@H](O)C2)c1	2217177472	JMERBPZZKLUWSU-NXEZZACHSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H](CNc1nccc(B(O)O)c1F)N(C)C	2217183124	FWTNDBDQCCJXTM-ZETCQYMHSA-N	241.075	-0.738	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@@H](F)C2)nc1	2217202026	UBCHLDZJRBDWKU-RKDXNWHRSA-N	239.059	-0.151	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNc1ncccc1B(O)O	2217204034	DMPYLBJDKVSAOZ-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@@H]2Nc1ccc(B(O)O)cn1	2223651253	VZICEPNSGRTRCX-PTOFAABTSA-N	248.091	-0.666	50	10	BBGE	
Cc1cnc(NC[C@H]2NCC[C@H]2C)cc1B(O)O	2223651752	YWHHDXOWEYKURR-LDYMZIIASA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1cccnc1NCCCn1ccnc1	2223668079	WORQSXLQQNEGNL-UHFFFAOYSA-N	246.079	-0.540	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)[C@@H]2CC[C@H]21	2223675484	WYAFEYPUEKXNAV-GHMZBOCLSA-N	247.107	-0.956	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2243356692	LQLCHPHTWXKWHR-VYGPFJBRSA-N	219.049	-0.980	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccccc1F	2243357663	ZSNYYOFBZXAGTA-UHFFFAOYSA-N	220.996	-0.543	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)C1(B(O)O)CC1	2243363567	IYFUCIBXHOXTIG-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC(C)C)c1	2243367722	XLIDDEAHUVNSAU-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397813	JONLLXRSJJXJQW-XHNCKOQMSA-N	226.085	-0.953	50	10	BBGE	
CC1(C)CN(C(=O)c2ncsc2B(O)O)C1	2243408142	IAFGHKZSHXSENZ-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N(C)C	2243412110	GSRQQKSXVBYSFE-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cnco1	2243420326	QRAYGMXZIQLAAL-LYFYHCNISA-N	224.025	-0.285	50	10	BBGE	
COC[C@]1(C)C[C@H]1CN(C)[C@@H](C)C(=O)NN	2243837861	MIGCMEQMLPPIKS-QXEWZRGKSA-N	229.324	-0.031	50	10	BBGE	
C#CCCOCC12CC(C(=O)NN)(CO1)C2	2243891279	URAPBDSCVMGKHR-UHFFFAOYSA-N	224.260	-0.435	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)CN(C)C2	2246822317	ZXNGHVODXPNMID-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C(F)F	2247721795	IBBGVPJMOKNIRX-RXMQYKEDSA-N	244.006	-0.855	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)cn1CCC	2247751776	BWWULQXNFLRRSG-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2247754642	GYRVVCVGTHILON-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H](C)[C@@H]1N	2247754679	FFIWNTNLZCQWLH-IWSPIJDZSA-N	240.112	-0.422	50	10	BBGE	
O=C(Nc1ccncn1)c1occc1B(O)O	2247754769	FRFPBLRIZKGSQP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1cccc(B(O)O)c1F	2247759337	OVSZPGSVYVWNFI-HTQZYQBOSA-N	241.002	-0.654	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC(F)C1	2247759794	WUNPJNAZEYYABX-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
Cc1ccc(C(=O)NCC(F)F)cc1B(O)O	2247760272	FOWZOPLSWLQVEF-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)cn1C)C(C)C	2247762859	HCTKDOYJEYGJGJ-UHFFFAOYSA-N	238.096	-0.425	50	10	BBGE	
C[C@]1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247785526	LZSRBSGSBMDOLM-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)[C@H]1C[C@H](B(O)O)C1	2247791793	OOIUYENHRPTWLT-GUBZILKMSA-N	240.112	-0.645	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@@H]1C1CC1	2247791905	PMHPDUOSXPAFAQ-OPRDCNLKSA-N	239.080	-0.513	50	10	BBGE	
NC[C@@H]1C[C@H](F)CN1C(=O)C1CC(B(O)O)C1	2247793682	ZIXOHEILOQORNA-PEBLOWIWSA-N	244.075	-0.863	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)C1CC(B(O)O)C1	2247801099	WYPBXNHLQKZXQK-PGQYJIMISA-N	239.080	-0.325	50	10	BBGE	
CC1(CO)CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247804717	HYWWHZYASPBSPU-SVWHESJJSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1COCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805631	BXZTWNMVCIBBHO-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)C12CCC2	2247810694	ZJDNOFFCNDKDCU-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@H]2CC[C@H]1C2	2247848584	NUHOIQPNHWHSJR-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2247887142	KSKXUQZHUYHIFT-VVULQXIFSA-N	238.096	-0.752	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894009	BHFRKNOIFWCKNT-HLTSFMKQSA-N	243.112	-0.095	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899518	NTSBQHFVPBJLNM-IUCAKERBSA-N	241.096	-0.125	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCNCC1	2247899544	OAFPYGVNTKUUPG-DTWKUNHWSA-N	240.112	-0.645	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248574047	NGVLIGOVIUDCMR-BIIVOSGPSA-N	241.052	-0.828	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248585365	KEGDBFBGTWJRIY-BIIVOSGPSA-N	243.068	-0.535	50	10	BBGE	
CC(C)(C)N(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248586229	XSJJYRYKGJPYMC-NKWVEPMBSA-N	243.068	-0.439	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1c1ccc(B(O)O)cn1	2251008451	FRXYHCQVVAPWFK-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
C=C1CN(C(=O)c2cc(OC)ccc2B(O)O)C1	2255499512	BFRCKTCBGIPECF-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
CC#CCCNC(=O)c1ccc(C)cc1B(O)O	2255513603	UOIYDLKOFGWGQB-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCC1COC1	2255515487	YLKVKOGBLPEGAJ-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]2CC[C@H]21	2255726580	VXZMHOQEBLJZRI-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1CC12CC2	2255736389	MLVBNVMUOGGPPH-SNVBAGLBSA-N	248.091	-0.530	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(CC=CC2)C1	2258124696	HDGIUAMTOSZKJQ-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1cocc1B(O)O	2258127111	ICSKOZPPOWUZLR-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)CCl	2297131202	CKGOGJBAEGRZNU-SRQIZXRXSA-N	213.686	-0.129	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]2C[C@H]12)C(=O)C#CB(O)O	2298367608	MWMMOELQYSQTAU-MXWKQRLJSA-N	235.092	-0.104	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CNC2)[C@H]1C[C@H]1B(O)O	2298368575	MTUMFEZGRFLSTJ-WYOJIJJFSA-N	238.096	-0.892	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2298369093	ISONKXHRIHNRNA-BECAKDQMSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2COC[C@@H]2C1	2298370147	PXOSBQPONXQVOB-UTINFBMNSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371386	KIAOJOCEIQILMF-TURQNECASA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CN[C@@H]1C2)C1(B(O)O)CCC1	2298374978	IXFJMJYTWIODPQ-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1CO	2298376881	UXNLSFRXFJXLFC-QEYWKRMJSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H]2[C@H](C[C@H]2O)C1	2298377477	SEQOBLOWWVPDPS-SQQIUAQRSA-N	239.080	-0.921	50	10	BBGE	
Cc1ccnc(OC[C@H]2CCN2C)c1B(O)O	2298957760	OGTLCZNXVJKGCE-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC(C)(O)CNc1ccc(B(O)O)cc1C#N	2301338963	OJBOAWPXGQCKHE-UHFFFAOYSA-N	234.064	-0.579	50	10	BBGE	
O=Cc1ccc(NN2CCCC2)cc1B(O)O	2301451350	QMWVHAQCRHFWHW-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
O=Cc1ccc(Nn2cccc2)cc1B(O)O	2301453352	UXCBGLSJHULVBH-UHFFFAOYSA-N	230.032	-0.144	50	10	BBGE	
CC(C)=C(CN1CC(n2cnnc2)C1)B(O)O	2301962539	URWBIWVDEPDBPM-UHFFFAOYSA-N	236.084	-0.517	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@]2(CO)C1	2302024129	TXQYRZWJMKFJDO-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
O=C(O)CCCCC(=O)N1CC[C@@H](B(O)O)C1	2303112723	UZHNBBIRVDZSEA-MRVPVSSYSA-N	243.068	-0.293	50	10	BBGE	
OB(O)c1cc(=NCc2ccco2)[nH]cc1F	2303847309	HFNCREVBSXGGLW-UHFFFAOYSA-N	236.011	-0.473	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)C(C)(C)N	2303855407	MCKAKEIQCQNKOS-ZCFIWIBFSA-N	242.059	-0.595	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C[C@H]1C[C@H]1C(=O)NN	2304250504	DVPCGFZPANSXRB-YTWAJWBKSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@@H]3CC[C@H]2N3)nc1	2312613109	BVPQAMSSTSUWSH-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2312856598	CYGVCDZAEUKEFG-FGGBMERFSA-N	246.075	-0.825	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2	2319570156	QPDMQFGMEAMVRG-UHFFFAOYSA-N	248.242	-0.500	50	10	BBGE	
C[C@H](NC(=O)C(C#N)=CNCCCl)C(=O)O	2324969513	QQBOEJLXULCZSY-LURJTMIESA-N	245.666	-0.188	50	10	BBGE	
N[C@@H](CO)CSSC[C@@H](N)CO	5131803	GMYWIQKRNIZTOF-WDSKDSINSA-N	212.340	-0.993	50	10	BBGE	
Cc1cc(=O)[nH]c(SCCC(=O)NN)n1	72399535	XNFWVTFHYWSVSA-UHFFFAOYSA-N	228.277	-0.450	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(=O)NC(=O)[C@H]1C	85087028	CSBNNUZXMBODCU-NTSWFWBYSA-N	232.667	-0.265	50	10	BBGE	
NNC(=O)CCCCN1CCC(C(N)=O)CC1	104108526	ZZNSTZRWAFRFJJ-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2CCCC2)CC1	110580537	MMSXHPFMASZEBL-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCC[C@H]23)CC(=O)O1	111218159	AUJSBKCWZKGZME-RKDXNWHRSA-N	224.260	-0.392	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(NC(C)=O)CC1	127350939	XZBNXEOEYVUESL-SNVBAGLBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1ccc(C[C@H]2CNCCO2)c(F)c1	169994682	LZAKGPFOYXZCPW-JTQLQIEISA-N	239.055	-0.964	50	10	BBGE	
C[C@@H]1COCCN1c1cccc(B(O)O)c1	204447296	CPTWRWVCNHXWKQ-SECBINFHSA-N	221.065	-0.409	50	10	BBGE	
NNC(=O)[C@H]1CCCS(=O)(=O)CC1	214735273	NXTUANRXDGLIQL-LURJTMIESA-N	206.267	-0.809	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)Cc1ccc(B(O)O)cc1	226579351	ZOEQVAQOLTWHKW-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
CCOC1CC(CC(=O)NNC(N)=O)C1	232173904	WLOQAEFSSIXGHM-UHFFFAOYSA-N	215.253	-0.109	50	10	BBGE	
C[C@@H](CO)N(C)S(=O)(=O)CCCl	232301234	CJGZSUCTVHXUBP-LURJTMIESA-N	215.702	-0.132	50	10	BBGE	
C[C@H](CN1CCCC[C@H]1CO)C(=O)NN	251096373	LPVGQFUUJYSWNZ-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H]1COCCN1[C@H](CC)C(=O)NN	251794185	NSUJJBJHGAVQLY-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CCCC(=O)NN)CC2	252646999	SWQBDDAYDHYBSY-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)COCc1ccc2[nH]c(=O)[nH]c2c1	259034774	RWCFRRJJTOTJIJ-UHFFFAOYSA-N	236.231	-0.637	50	10	BBGE	
CCOC(=O)CC(=O)NNC(=O)C1CCC1	298263511	AYOQWRHUNYFCEO-UHFFFAOYSA-N	228.248	-0.113	50	10	BBGE	
OB(O)c1ccc(CN2CCC2)c(F)c1	307063802	OQCJIKJHUZGROZ-UHFFFAOYSA-N	209.029	-0.289	50	10	BBGE	
CC(C)[C@H]1OC[C@@H](O)C1=NNC(N)=O	383978094	UHZIUUZNHUYJNN-IYSWYEEDSA-N	201.226	-0.574	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)[C@H](C)C1	388616435	MZBDPCLIVMWANT-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CON=C1CCc2cc(B(O)O)ccc21	393740098	UVWBADYWXYEXEE-UHFFFAOYSA-N	205.022	-0.337	50	10	BBGE	
O=c1ccc(F)cn1Cc1cccc(B(O)O)c1	395802076	FVSBYRBIAFGIAB-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)CC(C)(C)C(=O)NN	399973241	JSWBCVDTKXAFTN-BCTVWOGZSA-N	249.380	-0.299	50	10	BBGE	
C[C@H](CN1CCC(C)(CO)CC1)C(=O)NN	402805377	ROUHDAFCXKUVBF-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
C[C@]1(C(=O)Nc2ncc(B(O)O)s2)C[C@H]1F	405067742	WYQJEJHCYBIESN-VHWMUFPASA-N	244.056	-0.491	50	10	BBGE	
CN1C(=O)CN(C(=O)CBr)C1=O	575469741	HDSPXXNTYXWHFV-UHFFFAOYSA-N	235.037	-0.198	50	10	BBGE	
O=C1NCNN2[C@H](Br)CC[C@H]12	575626324	DUBMIRUXRQAUHU-UHNVWZDZSA-N	220.070	-0.236	50	10	BBGE	
CSc1cc(F)c(O)cc1B(O)O	575706509	YAVGFDNMUMMGGI-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@@H]1COCC[C@H]1NCc1cccc(B(O)O)c1	585037663	GIGJBLUUKNHXPA-ZWNOBZJWSA-N	249.119	-0.119	50	10	BBGE	
NS(=O)(=O)N1CCO[C@@H](Cl)C1	616644732	BJUDNIYYVIRZCA-SCSAIBSYSA-N	200.647	-0.913	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](C)[C@@](C)(CO)C1	694662620	SARNPMAJLUMRER-QFOLPQNPSA-N	243.351	-0.049	50	10	BBGE	
CCn1nnnc1CN[C@H]1COC[C@@H]1Cl	697735581	VKFZBFSZEUMNTA-BQBZGAKWSA-N	231.687	-0.211	50	10	BBGE	
CNNC(=O)[C@H](C)NC(=O)C(C)(C)C	704663808	BYJPPTNEQWFSIH-LURJTMIESA-N	201.270	-0.212	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1C1CC1	706684301	WZAGVJYTPDYGCJ-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CCn1nnnc1S[C@H](C)CC(=O)NN	707109050	XRFFMFAOLCREFW-RXMQYKEDSA-N	230.297	-0.446	50	10	BBGE	
NNC(=O)c1ncc(Cn2cncn2)s1	711348075	OHWWANJWRPHNGZ-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
CC(=O)N1Cc2cccc(B(O)O)c2C1	713231369	GGGFWGILIADHPD-UHFFFAOYSA-N	205.022	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCS[C@@H](CO)C1	720076668	VZHUCSKCIGDNHO-DJLDLDEBSA-N	247.364	-0.589	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@H](C(=O)O)[C@@H]2C1	721180296	VMBISQAKMINGJO-RNJXMRFFSA-N	227.264	-0.175	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@]1(C)CO	723001656	ZXZZUEBHVAWWBY-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
C[C@]1(CO)CCCCN1CC(=O)NN	723021527	DYFRVHPEWOZIAT-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
C[N+]1=C(CN[S@+]([O])(=O)CCl)C=NC1	725595498	NJUDWHGNLNGMNV-ZDUSSCGKSA-N	224.693	-0.343	50	10	BBGE	
CC(C)COCCC(=O)NNC(=O)CN(C)C	727761580	PZJSUGNMSVDIFX-UHFFFAOYSA-N	245.323	-0.242	50	10	BBGE	
CCC(=O)NNS(=O)(=O)N1CCC[C@@H]1C	769863339	SZGAZJWCSDMQAW-ZETCQYMHSA-N	235.309	-0.254	50	10	BBGE	
C=CCOCC(=O)NNc1nnc(C)n1C	856048546	GIPJGSIGQWDBKD-UHFFFAOYSA-N	225.252	-0.231	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCNC(=O)C1	862502578	OOMUJBYCYBVWJK-VIFPVBQESA-N	248.286	-0.219	50	10	BBGE	
N#CC1=CCN(CCn2cnnn2)CC1	878325353	GVYQFFWRBZZDMV-UHFFFAOYSA-N	204.237	-0.171	50	10	BBGE	
CCN(CCO)NC(=O)c1nnc(C2CC2)o1	911444886	WEEJWDQLLYKKGF-UHFFFAOYSA-N	240.263	-0.094	50	10	BBGE	
O=C1C[C@H](NS(=O)(=O)CCl)CCN1	1260936165	UVEUMVHPGQUWDE-RXMQYKEDSA-N	226.685	-0.619	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1ccccn1	1295908135	LRPVVWBJUIFMDL-UHFFFAOYSA-N	218.220	-0.115	50	10	BBGE	
Cn1ccnc1C=NNC(=O)[C@H]1CCC(=O)N1	1329110302	HWELHWCYICSMMV-SSDOTTSWSA-N	235.247	-0.851	50	10	BBGE	
Cc1c(C(=O)NNc2nnc(C)n2C)cnn1C	1329162111	RYFBNUVVVWSJKY-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H](C)C1(C)CC1	1521261971	YEYJJQDAKVVYEC-LURJTMIESA-N	243.263	-0.322	50	10	BBGE	
CC(=O)NNC(=O)Cc1ccnc(F)c1	1540576410	NDPSKCZHMNSYEL-UHFFFAOYSA-N	211.196	-0.070	50	10	BBGE	
CNC(=O)NNC(=O)C[C@@H]1CCOC[C@@H]1OC	1597341954	SDGXZIYBHWKXGA-YUMQZZPRSA-N	245.279	-0.612	50	10	BBGE	
CN(NC(=O)C1=C[S@@](=O)CCC1)C(N)=O	1623319553	DAQPBKWZAZZZSA-HNNXBMFYSA-N	231.277	-0.546	50	10	BBGE	
COc1ccc(NNC(=O)c2nnn(C)n2)nc1	1638799355	NBUWEZDZFWJBCI-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
O=C(O)C(=O)NCCCBr	1866099767	KPVCXWYILPOSDN-UHFFFAOYSA-N	210.027	-0.028	50	10	BBGE	
NCCNC(=O)[C@H]1C[C@H]1Br	1880106581	ATFZUINKXOEFFP-CRCLSJGQSA-N	207.071	-0.155	50	10	BBGE	
NS(=O)(=O)CCNC[C@H]1C[C@@H]1Cl	1881365686	NFXVFEZZKWJJQH-RITPCOANSA-N	212.702	-0.508	50	10	BBGE	
O=C1CN(C2CC(Cl)C2)CC(=O)N1	1881719185	NTOOJFVSUMKUJB-UHFFFAOYSA-N	202.641	-0.285	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H]2[C@H]1CO	1883801679	OMUIWIHTWOAAKD-RRKCRQDMSA-N	225.697	-0.175	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)ncn1	1884862837	RMHTZJUSWXHMLM-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
NNC(=O)Cn1cnc(C(F)(F)F)n1	1885354164	JEJLXRBVPBQPQU-UHFFFAOYSA-N	209.131	-0.713	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](O)CN	1889781373	JRLYNAFTBJAENW-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
N[C@@H](CC(=O)NC[C@@H]1C[C@H]1Cl)C(=O)O	1893120952	ZJMNPCGZDJAFQG-JKUQZMGJSA-N	220.656	-0.468	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	1894287686	LHMRMFSNUQSFQM-QVWMKHDWSA-N	223.276	-0.378	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2C[C@]2(CO)C1	1899671742	LLKFRYWNYFAQBI-HTQZYQBOSA-N	239.724	-0.131	50	10	BBGE	
C=C(C)CCNC(=O)c1cnsc1B(O)O	1900455739	WJWFCUNCIZXPSI-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C=CCN(C)c1ccc(C=O)c(B(O)O)c1	1901256058	YSTHLIKMEWSCIE-UHFFFAOYSA-N	219.049	-0.199	50	10	BBGE	
C[C@@H]1CCN[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901341570	WWCWAUKXDZEGSJ-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@]1(N)C[C@H]1C	1901344560	SCQAYIGWVURZOY-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CC1(O)CC1	1901763538	PASHQTSSXLFEAA-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	1902520942	DZSDXURERXAYTG-XKSSXDPKSA-N	227.069	-0.513	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]1[C@H](C)O)C(=O)NN	1902716963	YQXVOWPEEVGNBM-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907267431	AAYVFTJATZQGBC-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3(F)CC2C3)O1	1908715033	BEVSPJVNSFOLDJ-GWMJWBFUSA-N	243.282	-0.290	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1910103204	CPTVHQCMQUPJRS-PRJMDXOYSA-N	245.034	-0.038	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CC(O)C1	1914575551	QOMTWQDLPCRINO-PZYMCFGQSA-N	215.297	-0.544	50	10	BBGE	
C[C@@H](CN1CC[C@]12CCOC2)C(=O)NN	1915573633	RWSXBLMKBBLCID-WCBMZHEXSA-N	213.281	-0.523	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C1COC1	1915656424	GNZQNZYYTYUUJA-SECBINFHSA-N	215.297	-0.278	50	10	BBGE	
CC1(C)[C@H]2C[C@H](NC(=O)C(=O)NN)C[C@H]21	1930226373	OXAOZZOEDRUMEI-POBXSPIYSA-N	211.265	-0.473	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(F)C1	1932099575	PJOUIGNJNCXWHK-IONNQARKSA-N	219.260	-0.575	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)[C@@H](C)Cl	1932514341	XOMDHEQTKMMHQO-CRCLSJGQSA-N	228.701	-0.593	50	10	BBGE	
NNC(=O)C(=O)N1CC([C@@H]2CC2(F)F)C1	1933052315	TZLJOKRNADHWRU-YFKPBYRVSA-N	219.191	-0.910	50	10	BBGE	
NNC(=O)C(F)(F)CN(CCO)C1CCC1	1935932918	UTQMGKKISSKRIG-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C(=O)N1C	1936094636	OUZALRCZFXRNOS-BWZBUEFSSA-N	226.280	-0.632	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1C[C@@H]1C[C@H]1C(=O)NN	1941085905	GCFUMZRBDHMIQY-NKWVEPMBSA-N	239.235	-0.274	50	10	BBGE	
CN(C)[C@@]1(C)CCN(CCOCC(=O)NN)C1	1944903737	YENACKVYPLHBQB-NSHDSACASA-N	244.339	-0.981	50	10	BBGE	
CN(C[C@H]1CCCN1C)CC1(C(=O)NN)CC1	1945883167	UZHNMTHPGGTAPY-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cccc(-c2nn[nH]n2)c1	1952956944	RDOYNOOHWDRSBS-BDAKNGLRSA-N	230.231	-0.249	50	10	BBGE	
O=C(CBr)Cc1nc(O)nc(O)n1	1953067348	CHYRCEYYWIQBBX-UHFFFAOYSA-N	248.036	-0.211	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1C[C@H](O)CCl	1956251890	KQKGDQGOTFVGTG-IWSPIJDZSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](CN=[S@@](C)(=O)N(C)C)C(=O)NN	1956457339	CDNSSYSZHVZMHD-RWBAJPLHSA-N	222.314	-0.813	50	10	BBGE	
CCc1nc(C)c(C(=O)NNC(N)=O)o1	1958729210	ZRPIMLNOCZILCG-UHFFFAOYSA-N	212.209	-0.141	50	10	BBGE	
OB(O)c1cnccc1N1CCCCC1	1961693873	FVFMYWNJXJYHKG-UHFFFAOYSA-N	206.054	-0.248	50	10	BBGE	
O=S1(=O)C[C@H](N=c2cncc[nH]2)[C@@H](Cl)C1	1974998065	IWGBLDYNFXWHMQ-BQBZGAKWSA-N	247.707	-0.285	50	10	BBGE	
CSC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1975695673	SLBVMKJJRYUODY-MRVPVSSYSA-N	243.332	-0.446	50	10	BBGE	
Cn1[nH]c(=N)nc1N1CCC(O)(C#N)CC1	1976268423	MXPRGUBYHTXNPW-UHFFFAOYSA-N	222.252	-0.917	50	10	BBGE	
OB(O)c1cncc(OCCC2COC2)c1	1976924230	OABQPLZRWVLTLU-UHFFFAOYSA-N	223.037	-0.823	50	10	BBGE	
CC[C@@H](C(=O)NN)N(OC)C1CCOCC1	1978746116	OQSJENSZUISUKJ-VIFPVBQESA-N	231.296	-0.203	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ccc(B(O)O)cn2)C1	1981413822	KXIZZRKNGKVQDO-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	1983559157	MEDAELMAFINGPA-XHNCKOQMSA-N	233.287	-0.737	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC[C@H]2O)C1	1984542821	NMTWBQNOYPOMSI-DJLDLDEBSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCOC[C@@H]1F	1987224230	KEUYAHGDVTUFGM-VGMNWLOBSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CC1(C(=O)NN)CC1	1990041200	OQKUCAHKOKCOII-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1CCCC(=O)NN	1991460579	NGOLKRFBJDRCHF-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CO[C@@H]1CN[C@H](CNC(=O)C=CC(=O)Cl)C1	1991653019	UOSKJGIJMKBJBR-YUMQZZPRSA-N	246.694	-0.199	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1991711892	AGRUDHLXJXWBSI-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc2c(c1)CCO2	1997819496	FPWAZSZKQPIPMW-UHFFFAOYSA-N	235.243	-0.772	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC12CC(CO)C2	1997986324	HUYJXMGQDCYMMM-GHHKWEBWSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](CB(O)O)C(=O)O)co1	1998126434	SLBJXAXVTPZYMF-ZETCQYMHSA-N	241.008	-0.756	50	10	BBGE	
CCC1CN(Cc2c(C(=O)NN)cnn2C)C1	2003505911	KJUWCALHOLIJIU-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)[C@H]1C[C@H]1F	2006986155	CKTJISUFBDAVDT-POYBYMJQSA-N	241.002	-0.198	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2OCC[C@H]2F)c1	2009181658	KXPGHMINVFIQLQ-GHMZBOCLSA-N	240.039	-0.128	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1CCCC(=O)NN	2010572774	YTFHRGMFQHZOOV-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	2012639638	MNJLAUAZARIGIL-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CN)CC1(C)C	2015176513	YUPNHBNUYLBVKR-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)c(O)n1	2020067390	HAUVBPWMYBEOJN-UHFFFAOYSA-N	236.036	-0.606	50	10	BBGE	
COC1CC(C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020068927	WHOWHVMMTNVYPB-SFVIPPHHSA-N	239.080	-0.372	50	10	BBGE	
CN1CCC[C@@H](Oc2ncccc2B(O)O)C1	2021067048	CAWHXIQVTBXPHA-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@@]2(CO)C1)C(=O)NN	2021655196	MSKBFRAUGQBKTR-CABZTGNLSA-N	241.335	-0.293	50	10	BBGE	
COC[C@H](C)COc1cnc(C)c(B(O)O)c1	2021985880	MBNUNHIKCIPKCD-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
NNC(=O)[C@@H](CN1CC(CO)C1)c1ccccc1	2031671876	HVBKTPNHSXQXLB-LBPRGKRZSA-N	249.314	-0.316	50	10	BBGE	
C[C@@H]1C(C(=O)NCc2ccc(B(O)O)cc2)[C@H]1C	2043291186	ZUAIVGNCABYTDA-IUCAKERBSA-N	247.103	-0.115	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2OCC[C@@H]2C1	2052491089	IQFPGFAZBAXNGX-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H]1CN(C)CCN(c2ccncc2B(O)O)C1	2052506971	KYZUVCBJWCZUGE-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
O=C(NCCc1cccc(B(O)O)c1)NC1CC1	2058068611	SLOKZOSMCJPJPC-UHFFFAOYSA-N	248.091	-0.630	50	10	BBGE	
OB(O)c1cscc1CN1C[C@H]2C[C@H]1CO2	2211137256	CSEVIZBRSXYJFT-DTWKUNHWSA-N	239.105	-0.599	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@@H]2C(=O)NN)CC1	2211838207	DQLJJLZQVZPOSS-ZJUUUORDSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1cc(B(O)O)ccn1	2212607248	IIMPLUVHLPKPJD-JGVFFNPUSA-N	224.069	-0.734	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1cc(B(O)O)ccn1	2212607507	KTICAPMJBCAOTI-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
C=CCOCCNc1ncccc1B(O)O	2212615242	MCVZEIMBLUWZKQ-UHFFFAOYSA-N	222.053	-0.624	50	10	BBGE	
Cc1ncnc(OC[C@]2(F)C[C@@H]2C)c1B(O)O	2214487452	ARRHSBWNOPBXTH-QUBYGPBYSA-N	240.043	-0.408	50	10	BBGE	
CN1CC[C@H](COc2ccc(B(O)O)cn2)C1	2215649680	GRIDMTKUJUDXOF-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
CC(C)(CCO)CNc1ncccc1B(O)O	2217175981	QBZMFTQPRBKNGZ-UHFFFAOYSA-N	238.096	-0.418	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2217179241	IILYANWQQLFMLF-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1C[C@H](COc2ncccc2B(O)O)CN1	2217181652	SOVJOKMQHQNXBJ-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CC[C@@H]2C[C@@H]21	2217197446	MPGSANLWTUCTHI-DVVUODLYSA-N	232.092	-0.004	50	10	BBGE	
NC[C@]1(F)C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217199487	MRGSFFFTGMAXSO-WAAGHKOSSA-N	239.059	-0.997	50	10	BBGE	
CO[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217203941	CFVQGPRWCFFSNM-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCOC1	2217204899	QHAYUXABZIPXOU-VIFPVBQESA-N	236.080	-0.400	50	10	BBGE	
C#CCC1(Nc2ncc(B(O)O)cn2)CCCC1	2223634576	MDBGPMCFBZNZOB-UHFFFAOYSA-N	245.091	-0.096	50	10	BBGE	
Cc1nc(CN(C)c2ccc(B(O)O)cn2)no1	2223637416	FNGDMRZDMVQGCT-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CC1(C)CCNC[C@H]1Nc1cc(B(O)O)ccn1	2223671582	OFIJQALNZNZFBS-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C(C)(C)CN1	2223674208	ODAYHKSQEBWJPS-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](Nc1ncccc1B(O)O)C2	2223674260	OOFYXYBVDRHQFZ-JBLDHEPKSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN3CC[C@H]2C3)c1	2223678085	WVTKQDPHDIQSOZ-ONGXEEELSA-N	247.107	-0.733	50	10	BBGE	
O=S(=O)(NCC1(O)CC1)N1CC(Cl)C1	2241338507	NLBCQCNLLRLNNZ-UHFFFAOYSA-N	240.712	-0.731	50	10	BBGE	
OCCC1(O)CN(CCBr)C1	2241809435	SJZJPIGGPRJKAJ-UHFFFAOYSA-N	224.098	-0.190	50	10	BBGE	
O=C(N1CCCOCC1)C1(B(O)O)CCC1	2243348018	SESRVSQYILJWLX-UHFFFAOYSA-N	227.069	-0.368	50	10	BBGE	
CCC[C@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2243357227	TUWATWPIUHTGMC-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
Cc1nc(C(=O)N2CC(C)C2)c(B(O)O)s1	2243358335	FNXKASSRPVSKIC-UHFFFAOYSA-N	240.093	-0.777	50	10	BBGE	
CN(C[C@H]1CC12CCC2)C(=O)C#CB(O)O	2243361661	FFLZMCBPMYKKBM-SECBINFHSA-N	221.065	-0.350	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1sncc1B(O)O	2243377756	GQFYHTXRTXTTQF-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
Cc1nc(NC(=O)C2CC(B(O)O)C2)n[nH]1	2243382034	KQLGPPVIBZPGOZ-UHFFFAOYSA-N	224.029	-0.695	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)no1	2243392759	WVNZWRKWILBTAE-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
C[C@@H]1CCC[C@@H](NC(=O)C#CB(O)O)[C@@H]1C	2243398189	BOOHIXLTDXNJET-OPRDCNLKSA-N	223.081	-0.057	50	10	BBGE	
C[C@H]1CCC(F)(F)CN1C(=O)C#CB(O)O	2243398987	IOMDUANXLHOWLB-ZETCQYMHSA-N	231.007	-0.352	50	10	BBGE	
CC[C@@](C)(O)CNC(=O)C1CC(B(O)O)C1	2243403928	GHGJUWZHUKKSAR-SFVIPPHHSA-N	229.085	-0.483	50	10	BBGE	
CCCN(CC)C(=O)c1coc(B(O)O)c1	2243409542	KCUKVYGWJLNKNM-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
C#C[C@@](C)(CC)NS(=O)(=O)CC(=C)B(O)O	2243434026	TUAUUGUDGQDTPI-VIFPVBQESA-N	245.109	-0.724	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2243752479	IZOZYYZKVWDTOG-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(B(O)O)co1	2244205193	HBOXPURAFKBILG-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
C#C[C@@H](C)N(C)c1cc(B(O)O)c(Cl)cn1	2245912904	JDFQKNCXKLVSJX-SSDOTTSWSA-N	238.483	-0.127	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1ccoc1B(O)O	2247741408	ZFVRAVYHAJTHHN-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
CC1(N)CCC(NC(=O)C2(B(O)O)CC2)CC1	2247751192	UPQMUOSAKJGSRT-UHFFFAOYSA-N	240.112	-0.230	50	10	BBGE	
O=C(N1CCC[C@H](CCO)C1)C1(B(O)O)CC1	2247753859	KDHFFCBLKCWBRF-SECBINFHSA-N	241.096	-0.386	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1occc1B(O)O	2247753965	KPYRWRLORFPESY-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
COc1ccc(C(=O)NCCF)cc1B(O)O	2247759679	VHPDKPXLZREVTO-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
C#CC1CN(C(=O)c2cc(C)c(B(O)O)s2)C1	2247760847	OTAXOJTUVOUFRM-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@H]1C[C@@H]1B(O)O	2247809799	RKMJTIIISHWKRJ-PSHIVXEYSA-N	235.092	-0.133	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2COCC[C@H]21	2247848818	QVHNOOSVLRZCGT-VHSXEESVSA-N	237.064	-0.971	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CC[C@H](C1)O2	2247858431	DYKAITGWGZBYDN-YNFQOJQRSA-N	239.080	-0.371	50	10	BBGE	
CN(C)CC1CC(NC(=O)C2(B(O)O)CC2)C1	2247873291	AEQOFZVOWDUOBI-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)CCF)c1	2247873966	IFGRLLDQMGCRMU-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
O=C(N[C@@H]1CCNC12CC2)C1(B(O)O)CCC1	2247880284	YXHKXNLULPIPNS-MRVPVSSYSA-N	238.096	-0.606	50	10	BBGE	
O=C(NCCOCC1CC1)C1(B(O)O)CCC1	2247880290	YYCHXHAQRKLELC-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
O=C(NCC12CC(CO1)C2)[C@H]1C[C@@H](B(O)O)C1	2247892844	IRNVHBZERUFVTB-SNWHPCCYSA-N	239.080	-0.465	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2247896219	YDSHWMGQXAZRBR-BZNPZCIMSA-N	241.096	-0.221	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)no1	2247899200	LHYZKNQBHXHVEW-BQBZGAKWSA-N	239.040	-0.801	50	10	BBGE	
O=C(NCCCCC1CNC1)[C@@H]1C[C@@H]1B(O)O	2247900042	SLCMGRCGBNRLII-ZJUUUORDSA-N	240.112	-0.645	50	10	BBGE	
CC(C)(C=CC(=O)O)NC(=O)C1(B(O)O)CC1	2248587410	PCRACOCTQXSHIH-UHFFFAOYSA-N	241.052	-0.471	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1C=CCOC1	2249276538	WZAJXLXUKKQCSC-SNVBAGLBSA-N	235.048	-0.596	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1Cc2ccccc2O1	2255467326	LKNVHMVXBSGSJG-JTQLQIEISA-N	245.043	-0.878	50	10	BBGE	
Nc1ncccc1NC(=O)c1occc1B(O)O	2255488815	KHGBITOQELRKQG-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC2(CC1)CC2	2255550223	KFRBHUGAPLYQDI-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(C)c(B(O)O)o1)C(C)C	2255683675	ZTGLGYMUZHDGCS-SECBINFHSA-N	249.075	-0.345	50	10	BBGE	
C#CCN(CCC)C(=O)c1ncccc1B(O)O	2255717324	YIRVTMLJNVRNRB-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
Cc1cc(C(=O)NCC2[C@H]3CC[C@H]23)oc1B(O)O	2255742015	AAPOTHZPVSOROP-YUMQZZPRSA-N	249.075	-0.346	50	10	BBGE	
C[C@@H](C#N)CNC(=O)Nc1ccc(B(O)O)cc1	2255919978	RTDMWAQUZYKLJY-QMMMGPOBSA-N	247.063	-0.352	50	10	BBGE	
O=C(NCC1CCCC1)c1nccnc1B(O)O	2256070262	WHHJYFPBTCWVHM-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1cocc1B(O)O	2258132955	KWXPYQQRCRTHAR-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]3C=C[C@@H]2C3)nc1	2298224514	LHIIWZNGEGVMTP-XKSSXDPKSA-N	231.064	-0.467	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298369772	FEVVXKFJWAWXRO-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371535	NOPPGYYADXRSKM-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CN[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC1(C)C	2299719034	MNUKNUZNGUOWCH-MRVPVSSYSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](O)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301347215	YQYVTYQDBIKLKQ-HTQZYQBOSA-N	234.064	-0.581	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(B(O)O)cc1F	2301604652	FIDJLSSMKYOGRZ-SECBINFHSA-N	241.027	-0.785	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](F)C2=O)C1	2301874892	AXTMRZXPTIJKMP-HLTSFMKQSA-N	243.282	-0.037	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(OCCO)C1	2302017613	HLFYYBYQAUZNFP-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1[C@H]2CO	2302023791	QTGHNSRKHVXUMT-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CCn1cc(CN2CC[C@@](C)(B(O)O)C2)nn1	2303124102	LOAXAHCXXBVILG-SNVBAGLBSA-N	238.100	-0.263	50	10	BBGE	
CCO[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303834399	FJKBAQMKHLXGTF-ZETCQYMHSA-N	242.059	-0.841	50	10	BBGE	
COC[C@]1(CO)C=CCN1CCCC(=O)NN	2306855957	DITXUBAAGBIERS-LLVKDONJSA-N	243.307	-0.994	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@@H]2CC[C@H]1C2	2313397865	LPUGGLJRMVBWCU-KXUCPTDWSA-N	248.091	-0.029	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]1C[C@@H]2O	2315479716	CPPZSRBCZIUQAQ-YWVKMMECSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@H]1CN	2317164733	CYIJYXFKIYZAEQ-WPRPVWTQSA-N	245.091	-0.755	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cc2C#N)CCN1	2317210885	GLLFLTWCYDOXRF-GFCCVEGCSA-N	246.075	-0.631	50	10	BBGE	
NCC1(CNc2ccc(C=O)c(B(O)O)c2)CC1	2317307512	BLXFBXAQKYALFF-UHFFFAOYSA-N	248.091	-0.670	50	10	BBGE	
OB(O)c1ccc(N2CCN[C@H]3CCC[C@@H]32)nc1	2319230146	AEFUOJHAGJYBCW-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
CO[C@H](C)[C@H](NC(=O)CCl)C(=O)O	32211007	XCSSIGLYVOZJJK-XINAWCOVSA-N	209.629	-0.171	50	10	BBGE	
O=C(NNC(=O)C1CCNCC1)c1ccccn1	49836209	UMRLJEHIYBDEQK-UHFFFAOYSA-N	248.286	-0.158	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(O)CC1	82465939	MHGOZCBOCDSJJJ-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@H](C)CC(=O)NN	82469886	CDWLTWVQCKZVCA-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
CC(C)(CN1CCO[C@H](C#N)C1)C(=O)NN	86656759	PROATXUGVZALJJ-MRVPVSSYSA-N	226.280	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1nccn1C	93071971	UDLNBAFSPZRRHS-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
CCN(CC)C(=O)CN(C)[C@@H](C)CC(=O)NN	110593697	RTQXPGKRDUVXCQ-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@](C)(O)C1	157537710	VJCJYNYLTOEUQK-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
O=c1n(C[C@H](O)CCl)nc2n1CCCC2	163067313	XBVXFVCXEQYSJJ-SSDOTTSWSA-N	231.683	-0.019	50	10	BBGE	
COCCOc1ccsc1B(O)O	202610969	GFPCLPLIAWBOJE-UHFFFAOYSA-N	202.040	-0.547	50	10	BBGE	
CCN(C)Cc1ccc(F)cc1B(O)O	203190928	RDMLYBYWCQBXHO-UHFFFAOYSA-N	211.045	-0.043	50	10	BBGE	
OB(O)c1cncc(OCc2ccncc2)c1	203524621	PYEJJOLRLCHBJN-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC[C@H](O)[C@@](N)(CCCCB(O)O)C(=O)O	218631612	FGSQEVXVYSPNEA-CBAPKCEASA-N	233.073	-0.818	50	10	BBGE	
OB(O)c1ccnc(OCC2CCOCC2)c1	220072801	NKXJHSYFADXAEM-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCO)C1CCC1	228568764	GRNFTTMYSUZBJU-JTQLQIEISA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CC[C@@H](COc2cncc(B(O)O)c2)O1	232013286	KMLLWZGGWZASMJ-WPRPVWTQSA-N	237.064	-0.292	50	10	BBGE	
CC[C@@H](C)N(CCOC)[C@@H](COC)C(=O)NN	232419942	RTEWBASLHUZAHG-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
Cc1c(B(O)O)cnn1-c1ccccc1	238500419	WQDAONQZRAZDOI-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
NNC(=O)c1cnc(F)c([N+](=O)[O-])c1	238562263	AWUUPPYGXFDLBT-UHFFFAOYSA-N	200.129	-0.268	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H]1C(N)=O	251211045	MGTJBLMZEVJDTR-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCCC[C@H]1O)C(=O)NN	252919811	DYNIGNMCPAIPPT-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CNC(=O)/C(N)=N/OC(=O)CCCl	261491880	DBTVJIIHSXXTOI-UHFFFAOYSA-N	207.617	-0.823	50	10	BBGE	
CN1CCCN(C[C@H](Cl)C#N)S1(=O)=O	306899564	KBMGHMLVPUPNAT-SSDOTTSWSA-N	237.712	0.000	50	10	BBGE	
Nc1c(B(O)O)sc2c(N)cccc12	307666641	DWUFXOVQRSNPNN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CCCC(=O)NN	384884424	JGKFIVJXOMPFJV-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H](C)CN(C)[C@@H](C)CC(=O)NN	389344744	ZKZRAOFXSPMSQO-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CC(=O)NN	395178934	OTSFFDHAKYTVIB-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
NNc1ccc(OC(F)F)c(B(O)O)c1	396093428	CDOBAQXVBCZPSQ-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
N#CCCc1cccc(/C=C/C(=O)O)c1B(O)O	396140901	KPODIWWHEKQBHX-VOTSOKGWSA-N	245.043	-0.080	50	10	BBGE	
CN(CC[S@@](C)=O)S(=O)(=O)CCl	398961249	ZCTIOPGYCCHFAG-LLVKDONJSA-N	233.742	-0.177	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CO[C@H](C)C1)C(=O)NN	401509829	HVIBKMUPXNWOQK-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
O[CH-]OCCC1=C=C(B(O)O)C#C[C-]1F	616579802	XVYVOMOKNZGGMF-UHFFFAOYSA-N	209.969	-0.133	50	10	BBGE	
O=[S@](Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O	675067953	LIOZNXLVWTTWRE-JISPFJSISA-N	218.683	-0.953	50	10	BBGE	
N#Cc1cc(Cn2ccc(B(O)O)n2)ccc1F	694274910	GCWDCQPIVNEXCV-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOC[C@H](O)C1	695120625	ZXPGRANAUYMFOT-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C(F)(F)F)C1	698951278	VQJZSCRXJBRUJJ-RXMQYKEDSA-N	227.186	-0.761	50	10	BBGE	
O=C(CC[C@H]1CCCCO1)NCB(O)O	702028148	DAGJXNLYZPSXCU-MRVPVSSYSA-N	215.058	-0.536	50	10	BBGE	
CN1C[C@@H]2CN(CCC(=O)NN)C[C@@]2(C)C1	702397480	QNQHUFCZGRHDSB-MWLCHTKSSA-N	226.324	-0.750	50	10	BBGE	
CC(C)(CCN1CC2(COC2)C1)C(=O)NN	704502342	PJEBALMIYZHWCT-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708050554	JBRLDQGFFYENAV-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708050707	KKHDRBXHLMSDPD-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H]1C[C@H](N(C)CCC(=O)NN)CO1	711147067	NXQNXCLXARUCIH-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COCCOC2CC2)O1	711943503	DZFQIHAKTSULIU-VHSXEESVSA-N	244.291	-0.281	50	10	BBGE	
C[C@@H](CN1C[C@H]2COC[C@H]2C1)C(=O)NN	718163833	YCZCAYNHNGBTBT-XHNCKOQMSA-N	213.281	-0.809	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	780916931	BVBVDTHXKUQTKJ-RNJXMRFFSA-N	227.264	-0.286	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H](O)C(C)C	795792111	CZZYGRHNUBVFGK-SSDOTTSWSA-N	217.269	-0.258	50	10	BBGE	
Cc1c(C(=O)NNC(=O)c2cnn[nH]2)ccn1C	798957509	CIDBQIXLZONFOL-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)c1cnnn1C	888082161	FOOLVIURSSTUET-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
CC(=O)NNC(=O)CNC(=O)c1ccccc1C	913173008	ADJKVEYPUXGBQT-UHFFFAOYSA-N	249.270	-0.108	50	10	BBGE	
C[C@@]1(C(=O)NNc2cccnn2)CCC(=O)NC1	1339846512	MLAOJXFTICFAGD-LLVKDONJSA-N	249.274	-0.164	50	10	BBGE	
O=C(NNC(=O)c1cnco1)c1cc[nH]n1	1645304286	LQAXBAOXPISLRE-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
OB(O)C1=Cc2c3c([nH]c2=CC1)=CC=CC3	1848440331	AECHFDBZXMBUKH-UHFFFAOYSA-N	213.045	-0.513	50	10	BBGE	
CN(C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C	1880072262	PXHUFZFAGHKEJS-SSDOTTSWSA-N	247.295	-0.535	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)CBr	1880841205	XIADZGVKJZILBC-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NC1CC(Cl)C1	1881719462	RHUGGDGWRQMXPG-SZWNGJMLSA-N	206.673	-0.420	50	10	BBGE	
C[C@H](CCl)NC[C@@H]1CCS(=O)(=O)N1	1881856121	INSRKCQBFJWERU-RQJHMYQMSA-N	226.729	-0.105	50	10	BBGE	
O=C1C[C@H](NC[C@H]2C[C@@H]2Br)C(=O)N1	1883529024	GLQORKRERWPZSL-SRQIZXRXSA-N	247.092	-0.226	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(O)(CO)C1	1883643598	BPIOFHIYYIQAIB-WDSKDSINSA-N	205.641	-0.821	50	10	BBGE	
Cn1[nH]nnc1=NCCSSCCN	1885647169	VPJZVSLEYZOHQE-UHFFFAOYSA-N	234.354	-0.616	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)COC	1888598880	NYBQHZNFZABYDJ-UHFFFAOYSA-N	224.282	-0.664	50	10	BBGE	
C[C@H](CO[C@@H]1C=CCOC1)C(=O)NN	1888697821	FKALTFHJKMPNNH-HTQZYQBOSA-N	200.238	-0.416	50	10	BBGE	
NNC(=O)N1CC(O)(c2ccsc2)C1	1890203170	IJNKCRVSAIKMIJ-UHFFFAOYSA-N	213.262	-0.165	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H](O)CF)C1	1891539726	SNHHKKDCZNVLBM-JGVFFNPUSA-N	205.038	-0.744	50	10	BBGE	
OB(O)c1ccnc(N2CCSC2)c1	1892079739	ALOHFQRNFQLQSN-UHFFFAOYSA-N	210.067	-0.728	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(CC(=O)NN)[C@@H]1C	1892768785	YFCYQHQHJMHPPP-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
C=CCCS(=O)(=O)NCC=CB(O)O	1892925107	SWCWMSIMBVYTGN-UHFFFAOYSA-N	219.071	-0.950	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)NC[C@H]1C[C@H]1Cl	1893099582	PRFYVHCJASOWHG-FSDSQADBSA-N	220.700	-0.172	50	10	BBGE	
NNC(=O)COC[C@@H]1C[C@]12CCOC2	1895375272	OHVRXPBBEGNORW-CBAPKCEASA-N	200.238	-0.581	50	10	BBGE	
C=C(CCl)CN1C[C@H](O)[C@@H](O)[C@H]1CO	1900163911	AGDDGLFAISHPCI-VGMNWLOBSA-N	221.684	-0.820	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@H](F)C1	1900252680	VTJDZGKIVPZFDK-ZCFIWIBFSA-N	241.213	-0.718	50	10	BBGE	
CN(NC(=O)CC[C@@H]1CCCN1)S(C)(=O)=O	1901377095	KBYYLLOLIJSLIW-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
OB(O)[C@H]1CCN(CC[C@@H]2COCCO2)C1	1902516520	CHAWYBPFJBOSBS-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H](F)[C@H]2CCOC2)C1	1902546430	OCOYSXOOSKRDQF-IVZWLZJFSA-N	231.076	-0.090	50	10	BBGE	
CCc1cnn(Cc2nc(B(O)O)cs2)c1	1902657457	XNESBVVRMDKWOA-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2ncccc2B(O)O)C1	1902663180	PKGFMWOZBNZODZ-JGVFFNPUSA-N	222.053	-0.980	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2OCC[C@H]12	1909495939	JEAKCSOBKPZJOE-BGZDPUMWSA-N	213.281	-0.669	50	10	BBGE	
CC[C@H](N=S1(=O)CCC1)C(=O)NN	1913864501	ZMTCIDBFXPRYSG-LURJTMIESA-N	205.283	-0.373	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	1914254130	IHSQTUKRRSHLBC-XHNCKOQMSA-N	215.297	-0.544	50	10	BBGE	
CS(=O)(=O)CCN(CCCl)C1COC1	1915645335	FEYIOZCHDUGIJF-UHFFFAOYSA-N	241.740	-0.029	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@H]1CCNC1=O	1916840729	XXTITPSUDZELTM-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926004711	KAFDERMCKMYQPV-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
ClC[C@@H]1COC[C@H]1NCCn1cnnn1	1928739474	WLPUKNUVYRNFBK-HTQZYQBOSA-N	231.687	-0.484	50	10	BBGE	
CN(Cc1cnnn1C)C[C@@H](O)CCl	1934949212	ZVTJOESVMPOMAU-QMMMGPOBSA-N	218.688	-0.153	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@]12CCOC2	1935061854	YZEXUUBADLORMG-APPZFPTMSA-N	200.238	-0.974	50	10	BBGE	
CCO[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1935942930	YGJWCZYNRWBYTI-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@H]2CCC[C@H]21	1938335349	XDUGNNUIVWSTRC-JZYVYDRUSA-N	227.308	-0.277	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941074086	OZAVPDRTMOXFOA-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
CC(C)(CCN1CC2(CC(O)C2)C1)C(=O)NN	1942499992	RWYRLNXNRWAXLJ-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(CCN1C[C@H](O)C2(CC2)C1)C(=O)NN	1944717196	WEALXBHMBLRTAN-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1CCO[C@@H](CN2CC(=O)OC(=O)C2)C1	1948576721	HDIAWERRRSPOQA-DTWKUNHWSA-N	243.259	-0.434	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC2)C[C@H]1CO	1949698157	XQBOKBYKDXTALC-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C[C@H]1C[C@@H]1C(=O)NN	1950222639	GZKIEKRWHNCEOE-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
CCn1nncc1CN(C)[C@@H](C)CC(=O)NN	1950438471	GDDPCBRVGUYNOK-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
COC(=O)c1cc([C@H](N)[C@@H](O)C#N)n(C)n1	1953031718	RFJPGEZKAFMEQA-YUMQZZPRSA-N	224.220	-0.909	50	10	BBGE	
C[C@H](CN)SC[C@H]1C[C@H]1C(=O)NN	1954406782	OEIVPCKHTIBMAC-FSDSQADBSA-N	203.311	-0.307	50	10	BBGE	
O=C(CCn1cnnn1)N[C@H]1C[C@H]1CCl	1957830555	ALERFYZEPMKYSK-BQBZGAKWSA-N	229.671	-0.193	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)[C@H]2COC[C@@H]12	1958122892	QNPNPPQZEKHJOB-DOLQZWNJSA-N	235.711	-0.068	50	10	BBGE	
CCOCC1CN(CCCC(=O)NN)C1	1960429862	KPOVIXZDYUEXRX-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
Cc1cnc(C(=O)N2CCC(B(O)O)CC2)cn1	1964500429	KFYNIFRIMZMDOH-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(=O)C(F)F	1973735047	LDIGCWKSCDTBCU-UHFFFAOYSA-N	243.018	-0.410	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1	1973853135	CYYFGPPFGFWZCK-JTQLQIEISA-N	231.060	-0.328	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2CC[C@@H](O)C[C@H]21	1979577277	KDLPGSCEFGOEOA-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
COC1(CF)CN(CCCCC(=O)NN)C1	1980378601	WEVCQEHSUPBODL-UHFFFAOYSA-N	233.287	-0.183	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1CCCOC1	1981431159	WHSPBSMXKPNERX-QMMMGPOBSA-N	223.037	-0.681	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H](C)[C@@H]2C)n1	1981446755	CNGOSOPLOAPRKN-APPZFPTMSA-N	220.081	-0.086	50	10	BBGE	
CN(CC(=O)NN)C1CC(n2cccn2)C1	1985554340	MVNDZUJMVXPIFF-UHFFFAOYSA-N	223.280	-0.492	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@H]1C(C)C	1985695416	YGJAIMGLGKBDJB-SFYZADRCSA-N	229.280	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C[S@@](C)=O)C1	1987038386	RUTDZQVRMSWHES-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
C[C@H]1CCCN(C2CN(CC(=O)NN)C2)C1	1987897829	KKGNBLYGZYXHRC-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](c2nncs2)C1	1991149922	KSHNETSGHWQBRL-RNFRBKRXSA-N	241.320	-0.294	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc(O)n1	1991328352	TXXUONOSILOXBR-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)[C@H](COC)C(=O)NN	1992946396	DNBYNRIKCVRBJZ-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@@H](CO)CCC1(C)C	1994868101	LITOYRXHZGDQJO-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(C)c1ocnc1CNC(=O)C(=O)NN	1997729647	BONGXEQADPBGNT-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCN2CCC[C@H]1C2	2000464935	YJOXPTGWDWMKPB-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CN1CCO[C@H]([C@H]2CCCCO2)C1	2004402185	NMHUORIZPAZFMW-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CC2)[C@H](C#N)C1	2004433067	VMLSCCQNAJXPSS-WCBMZHEXSA-N	237.307	-0.963	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2004911507	HYWIBMREVREELK-ODXREFDESA-N	231.064	-0.999	50	10	BBGE	
Cc1ncnc(O[C@@H]2CO[C@H](C)C2)c1B(O)O	2004925021	KSUNTCQXPMPJNH-SVRRBLITSA-N	238.052	-0.979	50	10	BBGE	
OB(O)c1cnc(N2C[C@H](F)[C@@H](F)C2)c(F)c1	2005014510	MLLZWIZJLZDSPQ-YUMQZZPRSA-N	245.997	-0.603	50	10	BBGE	
COC[C@@H](C)N(C)c1ccc(B(O)O)c(C)n1	2005018251	QSUVXSWREWHCNJ-MRVPVSSYSA-N	238.096	-0.459	50	10	BBGE	
COC[C@@H](C)CCOc1cncc(B(O)O)c1	2014202912	CQTOVFNCKHRKHJ-VIFPVBQESA-N	239.080	-0.187	50	10	BBGE	
C=C(CN1CC[C@H](N2CC(C)(C)C2)C1)B(O)O	2021156901	DYAMNVWBKVJHRO-NSHDSACASA-N	238.140	-0.029	50	10	BBGE	
C=C(CN(C)[C@@H]1CO[C@@]2(CCOC2)C1)B(O)O	2021158014	VOWYMWFPEZSKOZ-QWRGUYRKSA-N	241.096	-0.566	50	10	BBGE	
CCOC(=O)N1CCc2cccc(B(O)O)c2C1	2032568313	KRGSKNSKPITXJD-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
O=C(N1CCC1)N1CCc2ccc(B(O)O)cc21	2043145739	JZPJSZCOCKIOAR-UHFFFAOYSA-N	246.075	-0.445	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CC1)c1ncc(B(O)O)cn1	2052472628	SGBXHVGRZYHFBG-KOLCDFICSA-N	247.107	-0.361	50	10	BBGE	
CCN(CC)C1CN(c2ccc(B(O)O)cn2)C1	2052473686	UYOUJEBYCHNDOY-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1ccc(B(O)O)c(N2[C@H]3CC[C@H]2COC3)n1	2052554742	YSRRXOSFQXSQSV-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
CCOc1ccc(C=O)c(C#N)c1B(O)O	2060185376	OHDPYQGFLKGZPP-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1cc(OC)cc(C#N)c1B(O)O	2060204869	LFEGELCOQKGULV-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCN2C)c(B(O)O)c1	2066395353	QHCQNRNYXKRXPL-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
COc1cc(B(O)O)c(F)c(F)c1C	2069547025	XOKICSDTHROYJO-UHFFFAOYSA-N	201.965	-0.038	50	10	BBGE	
CCOC[C@H](C)Nc1ncccc1B(O)O	2212601962	WPIPZRMYCURSFX-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
COC[C@@H](CF)Nc1ccc(B(O)O)cn1	2212604685	YTBFOBPLTBHEGW-MRVPVSSYSA-N	228.032	-0.842	50	10	BBGE	
O=C(NNCCO)[C@H]1OCC[C@H]1C(F)(F)F	2212643366	HUXPWUMREMGYGL-RITPCOANSA-N	242.197	-0.433	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2213351713	DGPQGHBQQZOTTI-BFLSOPEQSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H](O)C[C@H](F)C1	2215775503	HHRBCOZPMQIUST-XKNYDFJKSA-N	245.298	-0.593	50	10	BBGE	
CN1CCC[C@@H]1COc1ncccc1B(O)O	2215843129	KHBQVAXUQKHMIL-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
C[C@@H](O)CN(c1ncccc1B(O)O)C1CC1	2217177604	KVQTYWUBMIYFKY-MRVPVSSYSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccc(NC[C@]2(F)CCOC2)nc1	2217181030	NCMJERYTIQHASJ-SNVBAGLBSA-N	240.043	-0.698	50	10	BBGE	
C[C@@H]1CC[C@H](Oc2cc(B(O)O)ccn2)CN1	2217189115	YCWZJXILVCFUGV-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC1(C)[C@H](Nc2ncc(B(O)O)cn2)C1(F)F	2217200128	IDTXLLNJFBKCAV-LURJTMIESA-N	243.022	-0.388	50	10	BBGE	
CCOC(C)(C)CNc1ncccc1B(O)O	2217201952	GTDYCNISLDJOIZ-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1cc(B(O)O)cnc1=O	2217409468	SJYHQGZNYXVAGT-BDAKNGLRSA-N	236.080	-0.641	50	10	BBGE	
OB(O)c1cc(OCCOCCF)ccc1F	2217460283	XTJLJSMHMJQKGK-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1ccno1	2222237326	ASDOCHFTPSNYGN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)NC[C@@H]2C)cc1B(O)O	2223649024	SMRJBCNPVHRJRP-ZJUUUORDSA-N	249.123	-0.744	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@H]3CC[C@H]2N3)c1	2223656557	OQHGIEAQBXUCOP-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CNc1ncccc1B(O)O	2223669846	PFHDIWRNMIKIMH-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
Cn1c(=O)cc(O)n(CCCCl)c1=O	2241379309	GYGBVMTXIMHZET-UHFFFAOYSA-N	218.640	-0.119	50	10	BBGE	
NC1(C(=O)N[C@H]2C[C@H](Cl)C2)CC(O)C1	2241652965	AUXBFXRSFLXFNG-RQPZGDLUSA-N	218.684	-0.275	50	10	BBGE	
CSCCOc1nc(B(O)O)cs1	2242043922	BKFNMENFXUVLQY-UHFFFAOYSA-N	219.096	-0.435	50	10	BBGE	
CCNCCSCC(=O)NNC(C)=O	2242271895	XPRJOFMAVQJOQU-UHFFFAOYSA-N	219.310	-0.504	50	10	BBGE	
O=C(CBr)N[C@@H]1COC(=O)C1	2242579375	JPNGJOOOFCQWPG-BYPYZUCNSA-N	222.038	-0.187	50	10	BBGE	
CC[C@](C)(O)CNC(=O)C1(B(O)O)CCC1	2243348108	TXPMBFBJYSFUEX-VIFPVBQESA-N	229.085	-0.339	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1csc(B(O)O)c1	2243362328	PJVXNOZXIUQOON-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
NC[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2243364980	GDWLUTRSMQXPHB-SFYZADRCSA-N	226.085	-0.906	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@@H]1B(O)O	2243391447	KTNCPKIEZUFWEQ-YUMQZZPRSA-N	220.037	-0.387	50	10	BBGE	
CC[C@H](CNC(=O)C1CC(B(O)O)C1)OC	2243396256	JUOPYKUOSSYDHQ-AMDVSUOASA-N	229.085	-0.219	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1cnn(C)c1	2243396982	TYEMPJPZRSNLIE-JGVFFNPUSA-N	223.041	-0.754	50	10	BBGE	
COC1(CNC(=O)C2(B(O)O)CC2)CCC1	2243399308	YQBPGKWGGOCYOY-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
C[C@H]1CCN(C(=O)C#CB(O)O)C[C@H](C)O1	2243399465	MKFHVAZNWACGGN-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccsc1B(O)O	2243408042	FVSSXJPVJJFRJQ-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCCCF	2243408880	WZJCTUMDVWOPCU-UHFFFAOYSA-N	229.016	-0.643	50	10	BBGE	
N=c1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)c[nH]1	2243426775	LTHZOZNBAUZTQS-NKWVEPMBSA-N	221.025	-0.704	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1cocc1B(O)O	2244212493	QSHNJHIDPNEYBN-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
COCOCc1c(F)cc(B(O)O)cc1F	2244572986	RCLIKYCCHSMBIJ-UHFFFAOYSA-N	231.991	-0.235	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCOCC1CC1	2246744394	RELFYSSADDQOQK-UHFFFAOYSA-N	237.064	-0.167	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cc(B(O)O)cnc1C	2246825446	PDJQIFOWDWCLFN-GZMMTYOYSA-N	237.064	-0.516	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCOC1	2247750930	PZCBAGJUFDVAQB-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@H]1OCC[C@@H]1F)C(=O)C1(B(O)O)CC1	2247751363	WTTYQIBVHVYPBA-JGVFFNPUSA-N	245.059	-0.421	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)C1(B(O)O)CC1	2247751516	YOOMNPMASCBDPF-IWSPIJDZSA-N	238.096	-0.607	50	10	BBGE	
O=C(NCCCCCF)c1occc1B(O)O	2247755140	HADBRNFDUKVCFC-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
O=C(N[C@]12CCCNC[C@H]1C2)C1(B(O)O)CC1	2247755952	KMEVOEHZXUOCNW-KCJUWKMLSA-N	238.096	-0.748	50	10	BBGE	
O=C(N1C[C@H]2COCC[C@@H]21)C1(B(O)O)CCC1	2247757757	RQOAABRGMNTUCE-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ncccc1B(O)O	2247760413	HQQPJQBMXJILSU-UHFFFAOYSA-N	234.064	-0.544	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787240	MKMPHPDILCQLJQ-KXUCPTDWSA-N	243.112	-0.237	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCCNC1	2247792644	UESXLJPHGDYYPH-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCCc1cnc[nH]1)C1CC(B(O)O)C1	2247808814	WGTSVUJESPOEAP-UHFFFAOYSA-N	237.068	-0.679	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2NCC[C@@H]2C1	2247808829	MTCXIMDYIDFDFL-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)C[C@@H](CC)O1	2247848762	QASHWOVXEYNFGK-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
CC[C@H](C)CN(C)C(=O)c1cc(B(O)O)n[nH]1	2247854966	LHZXHZZXRKEITB-ZETCQYMHSA-N	239.084	-0.792	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H](O)[C@H](F)C1	2247859758	OUJDQQWAMKUCBA-XAVMHZPKSA-N	245.059	-0.829	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccc(B(O)O)o1	2247869822	YXYPTQYHWKWGER-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CCOC12CC(C1)N(C(=O)C1(B(O)O)CC1)C2	2247870378	IYGSPNGZDCHIOP-UHFFFAOYSA-N	239.080	-0.227	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CCC2)CCC[C@H]1O	2247877098	BWRRPJJRUXWKFQ-SCZZXKLOSA-N	241.096	-0.197	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CCC2)CCC[C@@H]1O	2247877099	BWRRPJJRUXWKFQ-WCBMZHEXSA-N	241.096	-0.197	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891025	DUUMEIACZYWWTC-HORUIINNSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCCCCCO)C1CC(B(O)O)C1	2247892548	CTLHNXLWHWLVSR-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H](B(O)O)C1	2247897790	WYPBXNHLQKZXQK-MQIGXGKASA-N	239.080	-0.325	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)[C@H]1C[C@@H]1B(O)O	2247898371	CVYCFISZIFNGLU-UTLUCORTSA-N	240.112	-0.645	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247898588	FTVDIASTUIOMSX-OPRDCNLKSA-N	241.096	-0.053	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CC[C@H](C1)N2	2247905971	WICNBBJYEHCMFC-YNFQOJQRSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)C1CC(B(O)O)C1	2247910212	NJSTVLBCUKNOSJ-RZEHBIPHSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@]12CC[C@H]1CNC2)[C@H]1C[C@@H](B(O)O)C1	2247910632	QMCLWQTXRBAPKN-CKEKPRIKSA-N	238.096	-0.892	50	10	BBGE	
CC#CCCC(=O)Nc1ccc(B(O)O)cn1	2248445226	JQOQRKMCOYMTES-UHFFFAOYSA-N	232.048	-0.497	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3C[C@H]3C2)n1	2254703990	JQZWICNXKAFXJI-IUCAKERBSA-N	248.091	-0.384	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1ncccc1B(O)O	2255711053	UDTNZNXMOFBYKE-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
Cn1ncc(B(O)O)c1C(=O)Nc1ccccc1	2255724989	SOBOASBGVCVULI-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(Cc1cc[nH]n1)Nc1ccccc1B(O)O	2256599134	CJOLXUSGWXGDBH-UHFFFAOYSA-N	245.047	-0.729	50	10	BBGE	
COc1nn(C)cc1Nc1ccc(B(O)O)cn1	2259098424	RTKYVBBJFPDPOP-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@@H]1C[C@@H]1C(=O)NN	2299337640	JYGDPDBWOIFCND-NAKRPEOUSA-N	239.319	-0.376	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC2(F)F)cc1B(O)O	2301421139	QJNQESMXNODUDJ-VIFPVBQESA-N	241.002	-0.002	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCN2CCCC2=O)C1	2303159129	OXDFIFXTFCSPJJ-LLVKDONJSA-N	240.112	-0.452	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CC[C@H]2CN3)c1	2315633042	IDUKWRZPEKYVCX-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1cncc(B(O)O)c1	2317064505	NLDBGBSTSRNMPE-VROVMSAKSA-N	248.091	-0.464	50	10	BBGE	
CC(C)(CCN)Oc1ccc(B(O)O)cc1C#N	2317160595	FXIFGYGRXRYOHJ-UHFFFAOYSA-N	248.091	-0.256	50	10	BBGE	
O=C1N[C@H](CCl)C(=O)N[C@@H]1CCl	1561143	UJDFUUWGCSFGOJ-QWWZWVQMSA-N	211.048	-0.553	50	10	BBGE	
C[C@H](CN1CCC(O)CC1)C(=O)NN	82465945	HCBNEBPNDIPYCJ-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](O)C2)c1	82468689	UJDUAWDJUMOZDD-MRVPVSSYSA-N	225.248	-0.550	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)CCN1C	82485331	WSIBWQXAIZVRHE-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)c1sccc1CN1CCNCC1	82501604	CBDMNWHDJXQNRP-UHFFFAOYSA-N	240.332	-0.243	50	10	BBGE	
C[C@H](SCCS(C)(=O)=O)C(=O)NN	82514822	AJRJKOUFQARREK-YFKPBYRVSA-N	226.323	-0.857	50	10	BBGE	
NNC(=O)Cc1ccc(Cn2cncn2)cc1	97812909	PIZZAUSSACFUOH-UHFFFAOYSA-N	231.259	-0.141	50	10	BBGE	
[C-]#[N+]CCN1CCN(N2CCOCC2)CC1	100494007	CHBTVBZIAADCGD-UHFFFAOYSA-N	224.308	-0.230	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](O)[C@H](C)C1	127610038	UHPCRHYHKWWFRZ-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccc(CN2CCOCC2)s1	169907120	DLIPMSJZHRSUMD-UHFFFAOYSA-N	227.094	-0.740	50	10	BBGE	
OB(O)c1cc(Cl)nc(N2CCCC2)n1	198083177	UYIZAEMFRQASAQ-UHFFFAOYSA-N	227.460	-0.590	50	10	BBGE	
Cc1nccn1-c1cncc(B(O)O)c1	203614635	DMIYBKDERSIXSP-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](N)C1	216481261	MRKRMNVELLUCIV-RKDXNWHRSA-N	214.313	-0.576	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)[C@@H](C)C1	222183116	XDJQJSNLRIWPPW-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
C[C@H](Oc1ccc(CCO)cc1)C(=O)NN	235574322	RIYWAZPWQGGTNH-QMMMGPOBSA-N	224.260	-0.021	50	10	BBGE	
O=C(O)[C@H](O)[C@@H](Cl)[C@@H](O)CCl	238677155	XAHWGQOCEBZFQN-YVZJFKFKSA-N	203.021	-0.361	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CO)OC[C@H]1C	251286853	GZYHYCKBSXWOMD-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
Cc1cc(C[C@@H](N)C(=O)NN)ccc1F	258934875	BJTTZDSHOOZLIH-SECBINFHSA-N	211.240	-0.006	50	10	BBGE	
CNC(=O)CS(=O)(=O)CCCCl	300776887	SRKAXSWMSJYWBE-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
O=C(CCl)NC[C@H]1CN2CCCN1CC2	306623894	FCCAGXAXJRCWOZ-VIFPVBQESA-N	231.727	-0.269	50	10	BBGE	
COC(=O)[C@@H]1SCC/C1=N\NC(N)=O	306869613	SZBJVNNNRYWTCH-PQLPPJHNSA-N	217.250	-0.311	50	10	BBGE	
CC(=O)Cc1ccc(S)c(B(O)O)c1	307189630	VHLRPGVBJHEZQY-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
CC[C@H](C)S(=O)(=O)NNC(=O)OC	308231801	OZTKMXGHTHMZMC-YFKPBYRVSA-N	210.255	-0.025	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NNC(=O)NC	308681035	NWXGOROKTITWSC-WAYWQWQTSA-N	212.209	-0.609	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](O)C1	388649996	RPXIXQHXORZNKU-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ccncn1	396629436	LKMILKFISGSFQJ-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
C#CCOC(=O)N[C@H](C)c1cccc(B(O)O)c1	405148098	OTYJXJNFSQRZNH-SECBINFHSA-N	247.059	-0.213	50	10	BBGE	
NNC(=O)C[S@](=O)Cc1ccc(C(=O)O)o1	526895951	DVCZKDHNVQHZAV-MRXNPFEDSA-N	246.244	-0.784	50	10	BBGE	
C[C@H](Br)C1=C=[N+](C[C@@H](C)O)NN1	642832529	MQGOWQNWKWMYRI-RITPCOANSA-N	235.105	-0.261	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN(C(=O)CCl)C1	642885358	FLSRGWNWWVDVOF-RNFRBKRXSA-N	206.673	-0.607	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)N1CCC(O)(C#N)CC1	692084557	JCNYGBIRAVLIMQ-BDAKNGLRSA-N	224.260	-0.102	50	10	BBGE	
Cc1ncccc1Cn1cc(B(O)O)cn1	694532921	YDDSLOILHWTLKA-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CNC(=O)C(=O)NN)[C@H]1C	701209406	WRJPQLXMBSQHQG-RULNZFCNSA-N	229.280	-0.848	50	10	BBGE	
CN(C)CC[C@@H]1CCN(CCC(=O)NN)C1	701447683	QQXPNMMLUCFHKB-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CCO[C@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	702050415	NTNCLEBPFPVRGA-YUMQZZPRSA-N	245.279	-0.406	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1(O)CCC1	703457082	OQUOLKCWPUBIDX-HTQZYQBOSA-N	225.244	-0.182	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ccnc(B(O)O)c1	704344662	YDEKCVZLKZSHLR-RDDDGLTNSA-N	234.064	-0.254	50	10	BBGE	
Cc1nn(C)c(C)c1/C=C\C(=O)NCB(O)O	706528988	GGJHNQFCFDAGAR-PLNGDYQASA-N	237.068	-0.822	50	10	BBGE	
CO[C@H](C)C(=O)N1CCc2c(B(O)O)cccc21	712229207	UZSBYCVOLWBTBF-MRVPVSSYSA-N	249.075	-0.710	50	10	BBGE	
CC1(C(=O)NCB(O)O)CC(F)(F)C1	720490669	KPYSVFOPJJLHHA-UHFFFAOYSA-N	206.985	-0.450	50	10	BBGE	
N#C/C(C(N)=O)=C(N)/C(=C/c1ccco1)C(=O)O	725329641	BACGYRBFBXVAKQ-NKUJDFQBSA-N	247.210	-0.031	50	10	BBGE	
C[n+]1[nH]ccc1CN[S@+]([O])(=O)CCl	725595188	MYBAZJRBZLHSMZ-ZDUSSCGKSA-O	224.693	-0.115	50	10	BBGE	
NC(=O)NCC(=O)NNc1nc2ccccc2[nH]1	768507015	KHMCWECPKMUMLH-UHFFFAOYSA-N	248.246	-0.326	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)c1ccoc1	772604265	VGGKFXDHLHPGKC-UHFFFAOYSA-N	224.216	-0.044	50	10	BBGE	
CNC(=O)CC(=O)NN=c1cc[nH]cc1	773720096	TXTHVCBEARVBGJ-UHFFFAOYSA-N	208.221	-0.917	50	10	BBGE	
C[S@@](=O)CCN1C(=O)C[C@@H](Cl)NC1=O	953054887	AYPMBWRCXDMLRB-OVZGEXIGSA-N	238.696	-0.128	50	10	BBGE	
Cn1c(CCCl)cc(=O)n(C)c1=O	1082591764	AGXIWRVIDRIXFE-UHFFFAOYSA-N	202.641	-0.135	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)c1ncccn1	1570439944	DYCKNDBLXLRWTL-LURJTMIESA-N	219.204	-0.603	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)c1cnn[nH]1	1627298147	BVZPEPDFOQJABI-YFKPBYRVSA-N	222.208	-0.885	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)CO)CCCCO1	1641424268	SOZPGKVOVITFLO-VIFPVBQESA-N	216.237	-0.915	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)c2ncon2)C1	1645910437	KIHQMAJTFIHJJD-YFKPBYRVSA-N	238.203	-0.800	50	10	BBGE	
N#Cc1cscc1C(=O)NNC(=O)CO	1650909503	BALFQPNNZOLYFY-UHFFFAOYSA-N	225.229	-0.627	50	10	BBGE	
COC(=O)[C@H](CBr)N[S@](C)=O	1892153243	XSJORSPQARWHLV-AUIPBDMJSA-N	244.110	-0.194	50	10	BBGE	
O=C1NCC2(CN(C[C@@H]3C[C@H]3Cl)C2)N1	1893108056	PZHAPTSDIXNITN-NKWVEPMBSA-N	215.684	-0.019	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)/C=C/C(=O)Cl	1893498116	PHISWWYRJZMSNH-KXQHVCLCSA-N	221.640	-0.834	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)S(=O)(=O)C1	1893840561	YXSCSUNGMPKFCO-BQBZGAKWSA-N	235.309	-0.964	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cc(B(O)O)sn1	1905064196	YYUFXOIQIIOJKL-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
C[C@@H](Oc1cncc(C#N)c1)C(=O)NN	1910087879	RZACEVTVBYXFEF-ZCFIWIBFSA-N	206.205	-0.290	50	10	BBGE	
COC[C@H]1CCCN(C[C@H](C)C(=O)NN)C1=O	1912291955	AMEAHYMIJSFBLL-DTWKUNHWSA-N	243.307	-0.503	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(CO)CCC1	1915005235	VWZMHFBLNKCHQO-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
Nc1nccnc1C(=O)NNC(=O)C(F)(F)F	1923828620	QTVIJPQEWQBVOT-UHFFFAOYSA-N	249.152	-0.618	50	10	BBGE	
NC(=O)CO[C@@H]1CCN(C[C@H](O)CCl)C1	1928130461	XVZBXNZBSVJSGE-HTQZYQBOSA-N	236.699	-0.838	50	10	BBGE	
CC#CC[C@H](NC(=O)NN(C)C)C(=O)O	1928170505	KRHKUDVKEQZJPU-ZETCQYMHSA-N	213.237	-0.371	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COC[C@H]1Cl	1928685427	PURBIGCTLBVANN-RNFRBKRXSA-N	230.655	-0.600	50	10	BBGE	
C[C@]1(C(=O)NNCCO)CCCS1	1929833565	LQOFLSWAEGOLDI-MRVPVSSYSA-N	204.295	-0.115	50	10	BBGE	
COC(=O)NS(=O)(=O)NC[C@@H](Cl)CF	1930551271	QJDNXPJKWDASEN-BYPYZUCNSA-N	248.663	-0.246	50	10	BBGE	
CCN(CCOC)CC1(C(=O)NN)CC1	1931265795	VOTDRJNLNUXZGQ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CCSC1CN(CCC(=O)NN)C1	1933226220	UDOHVWJGESKKCL-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
C[C@@]1(C(=O)NCB(O)O)C[C@H]1C(F)(F)F	1935093199	OWJRHEPSJDMUSS-INEUFUBQSA-N	224.975	-0.297	50	10	BBGE	
COC(=O)N(C)Cc1scc(C)c1B(O)O	1939885846	ZNZKWWSVERCYNO-UHFFFAOYSA-N	243.093	-0.065	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1939967690	POCRWCJNHGKWGY-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1941085667	DZVVNGQHHRJRLX-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1946479891	XUXASEVNABLIRB-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
C[C@@]12C[C@H]1C(=O)N(C[C@@H]1C[C@H]1C(=O)NN)C2=O	1946991450	QGQDOIQEFGTGDA-QMWPFBOUSA-N	237.259	-0.993	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC2(CCO2)CC1	1950986994	XIZMKRBQLGGDLN-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(O)(CO)C1	1954238495	HGWJYFXUTLPYFI-ZCFIWIBFSA-N	207.657	-0.431	50	10	BBGE	
Cn1nnnc1CN[C@H]1C[C@@H]1CCl	1954307576	FSRZVTHVYXTGKA-RITPCOANSA-N	201.661	-0.073	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@](O)(CO)COC	1958820522	YDJBEFPXDVQIAZ-CBAPKCEASA-N	239.699	-0.510	50	10	BBGE	
CCN(C[C@H]1CCOC1)[C@H](C)C(=O)NN	1961261257	QGAIRSVYMBVHSX-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCO[C@H]1CC[C@@H](C(=O)NNC(N)=O)C1	1962375470	DSZXIPOOTPLJND-RQJHMYQMSA-N	215.253	-0.109	50	10	BBGE	
O=C1CN(C(=O)C2CC(Cl)C2)CCN1	1964843196	BMFQRJLJVSRCJD-UHFFFAOYSA-N	216.668	-0.038	50	10	BBGE	
NNC(=O)C(=O)NCc1coc(C2CC2)n1	1976779168	FGIMXZIWKQVJQC-UHFFFAOYSA-N	224.220	-0.842	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C)(N(C)C)C1	1976834442	XLWUODNEZYSNLP-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](O)CN(CC)CCOCC(=O)NN	1977878982	SKDBXODMDZDZIE-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
CO[C@@H](C)[C@@H](CC(=O)O)NC(=O)NN(C)C	1979148926	FABCTKBGZVFZCM-NKWVEPMBSA-N	233.268	-0.360	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217896	YRYLIMLPBNXUEG-UTINFBMNSA-N	227.308	-0.544	50	10	BBGE	
CSC[C@H](C)N(C)c1ncc(B(O)O)cn1	1981408525	BNRFEEGBGFJIBY-ZETCQYMHSA-N	241.125	-0.656	50	10	BBGE	
OB(O)c1cccnc1N1CCC(F)CC1	1981424886	ZVBVQZZJZMUYOS-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CCc1nccn1-c1ccc(B(O)O)cn1	1981466614	ZCDJDNKTRLJIKL-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
Cc1cnc(N2CC(F)(F)C2)c(B(O)O)c1	1981468853	JDEXRGKZIFRYEI-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
C[C@@H](CN1CC2(C1)CC(C)(O)C2)C(=O)NN	1986120740	KFQCYFKOIKATBX-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
CN1CC[C@H](NC(=O)NC(=O)CCl)CC1=O	1987940443	JRIITHHBJUKGJN-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@](C)(O)C1	1989512168	PEPXZUSXQOBEQB-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
NCCc1nc(NC(=O)C=CC(=O)Cl)n[nH]1	1991651895	WVWHPYKKNLGKLF-UHFFFAOYSA-N	243.654	-0.434	50	10	BBGE	
C=C(CN(C)[C@@H](C)c1cncn1C)B(O)O	1992153522	PJTJMZHAEAIKHK-VIFPVBQESA-N	223.085	-0.019	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OCCOC)C1	1996764709	KLSFKMPVYIJUOS-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COC1(CN2CC(=O)OC(=O)C2)CCOCC1	2001500031	WFFIEBAIVJHJAP-UHFFFAOYSA-N	243.259	-0.433	50	10	BBGE	
Cc1cnn(C2CN(C[C@@H](C)C(=O)NN)C2)c1	2003905600	WRBOUTSFNHOBMK-SECBINFHSA-N	237.307	-0.326	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCCNC1=O	2004247985	QVCMQLSJRAHGOG-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@]2(C)CCOC2)n1	2004930254	SDIHLPPDUGLWOY-SNVBAGLBSA-N	238.052	-0.977	50	10	BBGE	
CN(Cc1cscn1)c1ccncc1B(O)O	2004935798	QHHYOJQZKUCUSI-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1ccnc(N(C)C[C@H]2C[C@@H]2F)c1B(O)O	2014734264	FRDOGRCHFOAZKN-BDAKNGLRSA-N	238.071	-0.136	50	10	BBGE	
CCc1onc(C)c1C(=O)NCC#CB(O)O	2021159360	ROJLSAVMSJMMJJ-UHFFFAOYSA-N	236.036	-0.709	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@@](C)(CO)C1	2022237355	FXZUDIDFZQZIIJ-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
CC[C@H]1C[C@H]1COc1ncnc(C)c1B(O)O	2022579148	KYLXYUMWPVHTAJ-IUCAKERBSA-N	236.080	-0.110	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CCCCO3)(C1)C2	2023853369	LUCMZPVMCDNZPK-XYPYZODXSA-N	241.291	-0.447	50	10	BBGE	
OB(O)c1ccc(OCc2ccnnc2)cc1	2026212600	UPYPVIJBDBTUGL-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2CC[C@@H]2C1	2050242015	KXXZSNATXVQBHH-RKDXNWHRSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@H](C2CC2)C1	2052493671	XKUCPUGCWCTZRW-LBPRGKRZSA-N	248.091	-0.623	50	10	BBGE	
O=Cc1c(F)cc(B(O)O)cc1Cl	2060102848	MESGRHAWZNRKKE-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CCOc1ccc(B(O)O)c(C=O)c1[N+](=O)[O-]	2060148156	YNLDYJAOWYQRSN-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)c1cccc(B(O)O)c1	2079011110	ZCGQWVZTFJLYGV-MNOVXSKESA-N	249.075	-0.990	50	10	BBGE	
C[C@H](SC1CCNCC1)C(=O)NN	2209391570	MQKHIBXJICZQJC-LURJTMIESA-N	203.311	-0.150	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(F)C1	2209905790	CPYIIPAFCHPUET-XPUUQOCRSA-N	201.245	-0.344	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1=O	2211838937	NTDXAFXXIDUOSQ-SFYZADRCSA-N	226.280	-0.630	50	10	BBGE	
CC(C)[C@H](CO)Sc1ncc(B(O)O)cn1	2212600832	YTLIGKAUMQYDHM-QMMMGPOBSA-N	242.109	-0.735	50	10	BBGE	
Cc1cnc(OCCN(C)C)cc1B(O)O	2212606537	VORPFLJFYAXGPY-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1cnc([N+](=O)[O-])n1	2215770560	CMBRYRKDSWDLFB-PHDIDXHHSA-N	240.223	-0.798	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@@H]1CO	2215774950	YVGZXFYZQJJNDJ-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CC1(C(=O)NN)CCC1	2216531782	GMUOPNZTIHVXAL-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217179094	GGHJNWAGHVHFRC-IUCAKERBSA-N	238.096	-0.095	50	10	BBGE	
OC[C@@H](CC(F)F)Nc1ncccc1B(O)O	2217185015	XPLXUHKOZAJSRQ-ZCFIWIBFSA-N	246.022	-0.811	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1B(O)O	2223649640	ZYKJUTACBONAFJ-UXCLJVHYSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CC[C@H]3C[C@H]2CN3)c1	2223652648	FUKDDMSQRVBWAN-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H](O)CCN1CCC(B(O)O)CC1	2241741532	OABMVIIZZKOYMY-MRVPVSSYSA-N	201.075	-0.304	50	10	BBGE	
CCNCCSCC(F)(F)C(=O)NN	2242284449	FUAJCWFXVGHYFQ-UHFFFAOYSA-N	227.280	-0.046	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccsc1B(O)O	2243359985	ZFIPUIWKHWTBHF-WDSKDSINSA-N	237.089	-0.434	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)C1(B(O)O)CC1	2243363792	MLTKAHHYOOPIOB-SFYZADRCSA-N	227.069	-0.587	50	10	BBGE	
CC1(F)CN(C(=O)c2csnc2B(O)O)C1	2243378328	RAMOQEPSWTVVAT-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
CC(C)[C@H](O)CNC(=O)C1CC(B(O)O)C1	2243396717	PVAUCIUUTOPDKD-AMDVSUOASA-N	229.085	-0.628	50	10	BBGE	
CC(C)CNC(=O)c1ncccc1B(O)O	2243397879	KSYMRMMTZQRKIY-UHFFFAOYSA-N	222.053	-0.853	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)C1(B(O)O)CC1	2243397928	LLVYKYHPFLPUEX-BWZBUEFSSA-N	225.053	-0.713	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC[C@@H]2C[C@H]21	2243400316	YYBDIRSZKFENRP-OPRDCNLKSA-N	221.065	-0.351	50	10	BBGE	
C[C@H](c1cncs1)N(C)C(=O)C#CB(O)O	2243403659	ARQHMTLBKFNZOS-SSDOTTSWSA-N	238.077	-0.322	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NCCC#N	2243413892	PICUDRAVEAIDOU-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
C=CCCC(=O)NCc1ncc(B(O)O)s1	2243666755	BKTUMLZJGCOYMR-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
Cn1cc([C@H](N)C(=O)N[C@H]2C[C@H](Cl)C2)nn1	2243971259	CBDHOARJELGAKS-HAFWLYHUSA-N	243.698	-0.299	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)co1	2244212492	QSEPQKPLRZWOHN-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(P(C)(C)=O)C1	2244280115	WCJVXVZCBXPVPA-QMMMGPOBSA-N	249.251	-0.702	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2247737555	IBOUNOXXONJDFS-HQJQHLMTSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1Cc2ccccc2N1C(=O)C#CB(O)O	2247740442	KPMZVXLSXVWQKP-SECBINFHSA-N	229.044	-0.020	50	10	BBGE	
O=C(Nc1ccncn1)c1ccc(B(O)O)o1	2247747168	JYNRHTFUCODKTA-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1C[C@H]1C	2247752019	HCLRJGXCDKNJNV-RDDDGLTNSA-N	233.076	-0.187	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2247771319	VFJODAHVXAJPHQ-JGVFFNPUSA-N	234.064	-0.758	50	10	BBGE	
CCC(CC)NC(=O)c1cncc(B(O)O)c1	2247775824	QJCSESOLBIXYSO-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
O=C(Nc1ccccc1)c1c[nH]nc1B(O)O	2247784439	VAHRUSVKPANFGM-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
NC1CC(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247790705	IXBMBTGVDHRVQW-XWJSGITJSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247791647	OELWELBOXXPYDN-CKEKPRIKSA-N	239.080	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H](O)[C@H]1CC2	2247799866	JDCAFBBUJZBZIC-SPFKKGSWSA-N	239.080	-0.636	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2NCC[C@H]2C1	2247808835	MTCXIMDYIDFDFL-QCLAVDOMSA-N	238.096	-0.940	50	10	BBGE	
CN(CCCn1cccc1)C(=O)C#CB(O)O	2247851022	VMQBPHWVNMDKEI-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
COC(=O)[C@@H](C)CN(C)C(=O)C1(B(O)O)CC1	2247855539	UKGPQXFAMGBGFH-ZETCQYMHSA-N	243.068	-0.739	50	10	BBGE	
O=C(NCC1CC1)c1cccc(F)c1B(O)O	2247855888	ZRKFWCOUGZAGAX-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C(=O)C1CC(B(O)O)C1	2247858677	HCFOFMDSJZGBDL-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
CCON(C(=O)c1occc1B(O)O)C(C)C	2247875041	ROMMDRXHKVQMRM-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)C1(B(O)O)CCC1	2247878432	JSXAWKNTTCGJGI-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)C1CC(B(O)O)C1	2247893432	ROXYAXPFEUUOFP-XHHQTKHESA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247894286	FEVVXKFJWAWXRO-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896010	WRMZVCGJPPCBFW-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
CN1CC2(C1)CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904600	QNZSNJWOGUGFIS-DTORHVGOSA-N	238.096	-0.987	50	10	BBGE	
CCCN(CC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248575336	BFQHZLLTWGRTMQ-ZKCHVHJHSA-N	243.068	-0.437	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cocc1B(O)O	2249419542	IEAVGZUTSYLVSI-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1cc(B(O)O)co1	2249438845	FHIRHRMHADMURO-SSDOTTSWSA-N	235.048	-0.511	50	10	BBGE	
Cc1ncccc1C(=O)NCCC#CB(O)O	2250007240	WGCKAYQXAAJIIU-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CCCC1	2255497571	CZBQOBBGMNWKNA-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
NCCN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccccc1	2255562888	AKZHKACGOGBZFY-QWRGUYRKSA-N	248.091	-0.159	50	10	BBGE	
Cc1cccc2c1CCN(C(=O)C#CB(O)O)C2	2255673167	OERGLGYXOHCSEG-UHFFFAOYSA-N	243.071	-0.105	50	10	BBGE	
O=C(NCc1ccco1)c1cncc(B(O)O)c1	2255673290	DOPVZNXFEDSDIO-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255717226	IYZSFEDYJIQGPJ-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
C#C[C@@H](C)CNC(=O)Nc1ccc(B(O)O)cc1	2255891500	VJORLAOEWFBCRP-SECBINFHSA-N	246.075	-0.243	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@]1(C)C[C@H]1C	2257494765	OOVFUFFVXRUACW-PELKAZGASA-N	248.091	-0.402	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1cocc1B(O)O	2258132244	FURLDFPLBSVPEH-DKCNOQQISA-N	249.075	-0.122	50	10	BBGE	
Cn1cccc1CNC(=O)c1cocc1B(O)O	2258133850	RTJKXYCJXFWEGL-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
C#CCN(OC)C(=O)c1cc(B(O)O)ccc1C	2258262992	XVYRRPGIUPFZFN-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@H]2C3)cc1B(O)O	2258871458	HIOWKTOCCXVKFZ-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C=C[C@H]1C2	2298168192	QRZOBVCIDNBYFA-XFWSIPNHSA-N	235.287	-0.211	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c1	2298225701	OWTHLBBKLBSANJ-BBHBSTQDSA-N	230.076	-0.394	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2298370079	NPDDEKGJGMBEGC-IMSYWVGJSA-N	240.112	-0.789	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCC[C@@H]1C[C@H]1C(=O)NN	2300369155	KCCFDJNONIOPGS-IWSPIJDZSA-N	242.323	-0.802	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1COC(C)(C)CO1	2300922085	VZPCTIACUDTDCX-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H]1CCNC1=O)C(=O)NN	2303421664	WJSXTEGMZYBVCB-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
CS(=O)(=O)N=C(CCl)N1CCOCC1	2314013479	ZKPUKGVINFJZTC-UHFFFAOYSA-N	240.712	-0.085	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317150241	CJTVQHPRHSISHO-PELKAZGASA-N	248.091	-0.191	50	10	BBGE	
CC[C@](C)(CN)Oc1ccc(B(O)O)cc1C#N	2317209861	WRKQBHKWPIMHNF-GFCCVEGCSA-N	248.091	-0.256	50	10	BBGE	
C[C@@]1(COc2cncc(B(O)O)c2)CC=CCO1	2317464553	SEZWXZFQJUURSD-LBPRGKRZSA-N	249.075	-0.125	50	10	BBGE	
NC(=O)CNC(=O)N(CCCl)N=O	5113323	BESOTRXDCHQLBP-UHFFFAOYSA-N	208.605	-0.597	50	10	BBGE	
Cn1cc(S(=O)(=O)NCCCl)cn1	50254331	KNOXMYHELMKJSZ-UHFFFAOYSA-N	223.685	-0.063	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC(C)(C)C1	82467979	GTORRXRKOBMTQC-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CC(=O)NN)n1cnc([N+](=O)[O-])n1	82471430	OHTOJGMDLKNDSR-SCSAIBSYSA-N	214.185	-0.873	50	10	BBGE	
O=C1CC[C@@H](NC(=O)NC(=O)CCCl)CN1	82516160	XVVHADGTDXDGQX-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
CC(C)(CN1CC[C@H](N)C1)C(=O)NN	86597785	IPRYCHGBXQQFDD-ZETCQYMHSA-N	200.286	-0.965	50	10	BBGE	
CNC[C@H]1CCCN(CC(C)(C)C(=O)NN)C1	93728096	BBZVGPNVBCAYJJ-SNVBAGLBSA-N	242.367	-0.066	50	10	BBGE	
NNC(=O)CN1C(=O)N[C@H](c2ccccc2)C1=O	96776299	FULFAEHMSOOYQY-SECBINFHSA-N	248.242	-0.731	50	10	BBGE	
C[C@H](CN1C[C@H](C(N)=O)CC[C@H]1C)C(=O)NN	104124359	QAXZIXQSUVATQV-IWSPIJDZSA-N	242.323	-0.802	50	10	BBGE	
COC(=O)N1C[C@H]2CC(=O)OC(=O)[C@H]2C1	106841101	ZBJLLNFAQMUTET-RITPCOANSA-N	213.189	-0.226	50	10	BBGE	
[C-]#[N+][C@H](C)C(=O)N[C@H](C)C(=O)OCC#C	169603339	NWFSUCZDNRKZRA-HTQZYQBOSA-N	208.217	-0.025	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	211939399	QPXXGJOCVLUVMX-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
NC(=O)/C(N)=N\NC(=O)c1ccccc1	220098545	XDEHVGGWDWKNNS-UHFFFAOYSA-N	206.205	-0.826	50	10	BBGE	
CN(C)CCCOc1cc(F)cc(B(O)O)c1	228684687	ONQLNSZXKJSZQX-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCN(C)C[C@@H]1C	234700495	ARNPBAYDQLJFEI-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CC1(C)C(C#N)=C(NN)NC(=O)[C@H]1C#N	238230192	AEQRVJQEBUBTRD-ZCFIWIBFSA-N	205.221	-0.519	50	10	BBGE	
CCc1c(NNC(C)=O)[nH]c(=O)[nH]c1=O	238302130	BHNRYXILQPDVPY-UHFFFAOYSA-N	212.209	-0.911	50	10	BBGE	
O=C(OCCCl)c1ccc(B(O)O)cc1	238620975	PLWNLPCISLWYRZ-UHFFFAOYSA-N	228.440	-0.238	50	10	BBGE	
OB(O)c1cnccc1[C@@H]1CCCNC1	238637811	OAQHJRWRXYJZOH-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
COC[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C1	252602070	MUZCTQWQQGUZBU-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@H]1C	252612176	WFIOMLUMKMLJMQ-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)C[C@H]1O	299918715	VHVIYFFRSBSRTR-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H](C)C1	300794258	ACHIYSSIYXHWSD-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
COCC[C@H](CCl)NCc1nnn(C)n1	300816490	GOPMEHHAILIVIP-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
Nc1csc2c(O)cc(B(O)O)cc12	306728048	JRNDYKQWMOBOPL-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[Si](C)(C)c1c(C#N)cccc1B(O)O	308891757	RGINEXXBTZFDLI-UHFFFAOYSA-N	219.125	-0.217	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@@H]1CCOC1	309012998	PTPQCGNEQYBUMK-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCC[S@](=O)CC1	321841056	FFFSYFNRHSJFQW-HNNXBMFYSA-N	233.337	-0.789	50	10	BBGE	
CN(C)C1=CC(=O)/C(=N/NC(N)=O)C=C1	379699496	XWTUNZRXWVJVQF-YRNVUSSQSA-N	208.221	-0.405	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)C1[C@@H]2COC[C@@H]12	385897724	FHVVJPQAAOOCJO-FSDSQADBSA-N	247.678	-0.225	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(C(=O)NN)o2)C[C@H]1O	388911494	UKOSJVWBCVRUPZ-VXNVDRBHSA-N	239.275	-0.304	50	10	BBGE	
CC[C@]1(O)CCCC(=NNC(N)=O)[C@H]1O	389517605	XLBAMGWFSVVUOJ-APPZFPTMSA-N	215.253	-0.303	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@](O)(C(N)=O)C1	389612318	DWENXZSPVCFQFC-CBAPKCEASA-N	231.683	-0.570	50	10	BBGE	
CCNC(=S)NNC(=O)c1c(C)noc1N	390361986	SALVVCYDPZFACQ-UHFFFAOYSA-N	243.292	-0.306	50	10	BBGE	
CC(C)CC(=O)NNC(=O)C[C@H](C)N	393722538	AJLPNLBFUQDIKJ-ZETCQYMHSA-N	201.270	-0.083	50	10	BBGE	
CCN(CC)C(=O)Nc1cc(B(O)O)ccn1	405123081	LVDNBNLRTBEPCE-UHFFFAOYSA-N	237.068	-0.365	50	10	BBGE	
C=CCNC(=O)N(C)Cc1ccc(B(O)O)cc1	405169074	QNOZBNKQLNAXGH-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@]12COC[C@@H]1C2	689153170	GQULLQSRDTUPKT-UFBFGSQYSA-N	247.059	-0.659	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)C[C@H](O)CN(C)C	690197933	FGXQIWXRYVDMMD-HTQZYQBOSA-N	222.716	-0.005	50	10	BBGE	
COC[C@H](CN(C)[C@@H](C)CC(=O)NN)OC	691286780	NWEKYZGZLUPSSI-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](COC)C1	705869842	QIPKAVSSICQAFS-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN1CCO[C@@H](CN(C)C[C@H](O)CCl)C1	707853546	FGIMTTILGWANRM-NXEZZACHSA-N	236.743	-0.152	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)c1cn(C)nn1	720609591	CFHULCVEAYLKGH-RXMQYKEDSA-N	245.670	-0.059	50	10	BBGE	
C[C@@H]1C[C@H]1COc1cncc(B(O)O)c1	722897661	QWMKCAYOAWHFAH-SFYZADRCSA-N	207.038	-0.204	50	10	BBGE	
CN(C[C@H]1[CH]SC=C1)C(=O)C(=O)NN	725539798	XZMDFJKWTDPGFM-LURJTMIESA-N	214.270	-0.527	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ccc(B(O)O)cc1	725693844	VIGBXWGOTFVIMO-UHFFFAOYSA-N	231.060	-0.036	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)NNC(=O)[C@@H]1COCCO1	752033054	IUCQLUFLDPEUSO-SFYZADRCSA-N	242.275	-0.405	50	10	BBGE	
CN(NC(=O)/C=C\[C@@H]1CCCO1)C(N)=O	819449382	LWOGMWUNDYABCI-MJSGSUOKSA-N	213.237	-0.237	50	10	BBGE	
COC[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)C1	895623418	RHRTYLHAWAQPRN-BJHJDKERSA-N	249.119	-0.119	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1261912662	UYANLKRKJYIKKS-LKMPMBSTSA-N	240.259	-0.616	50	10	BBGE	
Cc1nnc(NNC(=O)[C@]2(F)CCOC2)n1C	1329160530	FWMBRUJUOAAKOW-VIFPVBQESA-N	243.242	-0.305	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)NC1CC1	1542334852	HFQLUDKDTNCQLE-SNVBAGLBSA-N	227.264	-0.194	50	10	BBGE	
CNC(=O)NNC(=O)[C@]1(C#N)CCCOC1	1597340513	GZRZJNHILSKJHG-VIFPVBQESA-N	226.236	-0.733	50	10	BBGE	
O=C(O)CONC(=O)[C@@H]1C[C@H]1Br	1877356585	SDPKVKXUCMIQID-QWWZWVQMSA-N	238.037	-0.098	50	10	BBGE	
O=C(NOC1CNC1)[C@@H]1C[C@H]1Br	1877403322	QKISLNGVBMOPNJ-PHDIDXHHSA-N	235.081	-0.211	50	10	BBGE	
CN(CCCl)S(=O)(=O)c1nc[nH]n1	1882167209	ZVSJMTQVRSWHAS-UHFFFAOYSA-N	224.673	-0.336	50	10	BBGE	
CCC[C@@H](NS(=O)(=O)CCl)C(N)=O	1882693290	DGDGBHVRBLYXMK-RXMQYKEDSA-N	228.701	-0.244	50	10	BBGE	
CN1CC[C@@H](CNC(=O)CBr)C1=O	1883369150	VITFQMBFMUDWPY-LURJTMIESA-N	249.108	-0.024	50	10	BBGE	
O=C(NCC(CO)CO)[C@H]1C[C@H]1Cl	1883638410	FWIRVDBMUAUJLY-NKWVEPMBSA-N	207.657	-0.669	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@@H](C)C(=O)NN)CO1	1888720935	HPPBNXOJKHXLIU-PRJMDXOYSA-N	202.254	-0.194	50	10	BBGE	
N#CCNC(=O)C(=O)NC[C@@H]1C[C@@H]1Cl	1893089451	UKBMXVNIYZLGJU-WDSKDSINSA-N	215.640	-0.630	50	10	BBGE	
COC(=O)[C@H](N)C[S@](=O)C[C@@H]1C[C@H]1Cl	1893117505	AZBJDFGTSQATQS-YPRLULTGSA-N	239.724	-0.137	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C[C@H]1CCN1	1901340638	IAZKZGQJRMCRFD-MRVPVSSYSA-N	249.336	-0.560	50	10	BBGE	
CO[C@@H](C)CC(=O)N1CC[C@@](C)(B(O)O)C1	1902512729	OMOIKMONLZRZSX-WCBMZHEXSA-N	229.085	-0.123	50	10	BBGE	
O=C1CNC(=O)N1CCNC1CC(Cl)C1	1909273254	VLGZBEGTMRKOIC-UHFFFAOYSA-N	231.683	-0.102	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCOC2=O)O1	1909809165	UDUAKBMQYYWVJC-SFYZADRCSA-N	243.263	-0.634	50	10	BBGE	
C[C@@H](Cn1ccn2nccc2c1=O)C(=O)NN	1912216832	WMHLOJZJTGXQAE-ZETCQYMHSA-N	235.247	-0.878	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1(O)CCC1	1914572216	WGXJFTPQEUWUHL-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CO[C@@H](C)[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923413715	AZKXIJXVHCSVHB-IMJSIDKUSA-N	244.169	-0.908	50	10	BBGE	
COCCCN(C)CC(F)(F)C(=O)NN	1927815844	CMHVGPHJEGTJBC-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
N#Cc1cccn1CCOCC(=O)NN	1928180712	DSXMGTPPDJTXSA-UHFFFAOYSA-N	208.221	-0.634	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCn1cnnn1	1928860481	REDCLQXEPKILLM-RXMQYKEDSA-N	203.633	-0.583	50	10	BBGE	
N#C[C@]1(C2CC2)CCN(CC(=O)NN)C1	1930186962	DNJLLUGRZJSNGJ-SNVBAGLBSA-N	208.265	-0.398	50	10	BBGE	
N#CCONc1nc(CCl)nc(=N)[nH]1	1930369528	JFVMKCURNZKKGE-UHFFFAOYSA-N	214.616	-0.110	50	10	BBGE	
CN(CCCC(=O)NN)CC(F)(F)CO	1931080456	IYDVONJQWPMWRY-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
CN(CC[S@](C)=O)CC1(C(=O)NN)CC1	1931265797	VQSVUAKELACEOT-HNNXBMFYSA-N	233.337	-0.933	50	10	BBGE	
C[C@@H]1CCC(=O)N1CC1(C(=O)NN)CC1	1931268564	IFXRZDJXSJIPIF-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
COC1(CCl)CN(CCn2cnnn2)C1	1935348032	IXCACSWOMNCZSF-UHFFFAOYSA-N	231.687	-0.387	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)CCCC1=O	1935942951	YLJHIIAEOGPNLT-UHFFFAOYSA-N	235.190	-0.849	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[C@H]1O	1938233653	RZYVRLUPQJUGLY-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CCCN(CCOC)C[C@@H]1C[C@@H]1C(=O)NN	1939256044	MNZULHCJRAPEDU-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1CC[C@H]2O)C(=O)NN	1941288364	NTQZDBYMWPNQOA-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(CO)CCCCN1CCOCC(=O)NN	1941782830	XZWJFMMPPOVLQL-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
CO[C@H]1COC[C@@H]1Oc1ccc(B(O)O)cc1	1942934413	MKWZANPXTPXCNU-QWRGUYRKSA-N	238.048	-0.841	50	10	BBGE	
CNC(=O)OC1CN([C@H](C)[C@H](C)C(=O)NN)C1	1943063337	RYMGCSGGHBSNIX-NKWVEPMBSA-N	244.295	-0.959	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2COCCCO2)CC1	1948417610	PFFVMZJVHDOPFC-VIFPVBQESA-N	244.291	-0.421	50	10	BBGE	
Cn1cc(CN2CCC(B(O)O)CC2)cn1	1951321916	MIJBIHJTHFBRAT-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
N#C[C@H]1CCN(S(=O)(=O)NCCCl)C1	1956213661	SJSHWVMYEMCPFZ-SSDOTTSWSA-N	237.712	-0.095	50	10	BBGE	
C[C@H](CN1CC2(F)CC1C2)C(=O)NN	1956496589	CGTOYZPRVXIIDH-SXJRXYEXSA-N	201.245	-0.201	50	10	BBGE	
OB(O)c1csc(Sc2nncs2)n1	1956965914	NEYFQFXJKWSTCM-UHFFFAOYSA-N	245.119	-0.174	50	10	BBGE	
NNC(=O)CCN1CC[C@H]1c1ncon1	1958700845	VSHZDSGPELCXCW-LURJTMIESA-N	211.225	-0.804	50	10	BBGE	
CC(C)OCC1CN(CCC(=O)NN)C1	1960431100	UMURYIGKFXBTTO-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
CC1CN(c2ncc(Cl)cc2B(O)O)C1	1961718677	RSUKZMYONHOGKR-UHFFFAOYSA-N	226.472	-0.129	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cccc(B(O)O)c1	1965409888	IPOVLJLXHAMGLJ-NSHDSACASA-N	229.044	-0.786	50	10	BBGE	
O=C(NCC#CCCl)[C@@H]1CCCS1(=O)=O	1974757754	GYYVORYZPOWTTQ-QMMMGPOBSA-N	249.719	-0.078	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSC2CNC2)O1	1975142599	JLNVVLPCMQBRSW-XPUUQOCRSA-N	231.321	-0.771	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N2CC(F)C2)C1	1976213152	USYFEMYMTLILIE-ZETCQYMHSA-N	230.287	-0.907	50	10	BBGE	
CC(C)c1noc(CN(C)CC(=O)NN)n1	1976748237	VDCJBCRSZZPGMJ-UHFFFAOYSA-N	227.268	-0.385	50	10	BBGE	
C[C@H](N=[S@](C)(=O)c1cnn(C)c1)C(=O)NN	1977066106	OHLCMIWUKJUGLG-XABCROFNSA-N	245.308	-0.745	50	10	BBGE	
COC1(CF)CN(CC2(C(=O)NN)CC2)C1	1980376733	IBTUOTOJVRVZQW-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
CSC1CN(c2ncc(B(O)O)cc2F)C1	1981472315	OZEXUWMMIKFXCK-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)[C@H](C)CO1	1981472418	QFMZZMCWUNUEDI-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC=CC[C@@H]1CO	1983181142	LHSMFWXSUYJYQH-OPRDCNLKSA-N	225.292	-0.765	50	10	BBGE	
C=C(Cl)COc1ncc(B(O)O)c(OC)n1	1984159724	FAWLYPFKLNVBCG-UHFFFAOYSA-N	244.443	-0.704	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12CC(CCO1)C2	1984460731	VDPGTWWWABVCPY-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
COCc1nccn1-c1nc(B(O)O)cs1	1985649937	COOGTYZZNRELMJ-UHFFFAOYSA-N	239.065	-0.845	50	10	BBGE	
O=C([C@@H]1CCCN1C(=O)F)N1CCNCC1	1987564580	MHIDYTLLCZQTHS-QMMMGPOBSA-N	229.255	-0.028	50	10	BBGE	
CC(C)CC1(O)CN(C[C@H](C)C(=O)NN)C1	1987881536	SUTVRUJQARFIOC-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
Cc1nn(C[C@H]2C[C@H]2CF)c(C)c1B(O)O	1989258190	UFBVKMQETFLMBF-DTWKUNHWSA-N	226.060	-0.215	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	1990326247	YIZCYBVESMQPOU-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)CCS(=O)(=O)NCC=CB(O)O	1991334492	WNMQGHCUAQYHQK-UHFFFAOYSA-N	249.141	-0.090	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NCC#CB(O)O)O1	1993506582	BGJQRQVGKOVBFQ-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
Cc1ncc(OCC2(F)CC2)cc1B(O)O	1995034759	UTRGMBCWCPIUEL-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1	1998131122	RSBXKABSZABSMA-OSMVPFSASA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CC[C@H](O)C[C@H]21	2001968017	UHTQSJOWTFBGON-HRDYMLBCSA-N	241.291	-0.872	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](OC)C[C@H]1CO	2002122870	HMIFMUOMEDPODF-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1c1ccncc1	2004372595	NQHCZMYUCWRARH-VIFPVBQESA-N	234.259	-0.265	50	10	BBGE	
CC1(C)[C@H]2CN(c3ccc(B(O)O)cn3)C[C@@H]21	2004912090	OKFHJDPTSWLZIY-UWVGGRQHSA-N	232.092	-0.146	50	10	BBGE	
CCC1(C)CN(c2ncnc(C)c2B(O)O)C1	2004971415	QUUCOFKXKNNWMC-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCCO[C@H]21)C(=O)NN	2007574927	TWEPKDLXUDEHGA-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCC(=O)N(C)C	2014824885	OKWMMIRWBMBZSL-JTQLQIEISA-N	244.339	-0.589	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C2(CC2)C(=O)N1	2014888111	IHVTXXSEDRNOAM-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
OB(O)c1cc(F)cnc1OC[C@H]1CCCO1	2014927666	DLCLTACMQQUJJN-MRVPVSSYSA-N	241.027	-0.542	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NCC#CB(O)O)C1	2021157410	LRKKPZGURWMCPJ-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C2CCC2)C2CC2)n1	2052627129	ZXEQOGFXJNINSL-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
CCc1cc(B(O)O)cc(C#N)c1[N+](=O)[O-]	2060281665	RSNOMLXOISWUCT-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
C#C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	2079009639	JHFQUXICFJWYHC-GFCCVEGCSA-N	243.071	-0.492	50	10	BBGE	
C[C@H](CO)Sc1ccc(B(O)O)cn1	2210067100	ZITIEXMHVIIVBX-ZCFIWIBFSA-N	213.067	-0.766	50	10	BBGE	
OB(O)c1csnc1CN1CCC(F)CC1	2211137939	NCBAUKSLAPSRRV-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1CC[C@@H]1C(=O)NN	2211838580	IVKSTMULBJLFAA-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C=CCCC2)nc1	2212605094	XRHWCLIBZCMMST-VIFPVBQESA-N	219.053	-0.323	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1cc(B(O)O)ccn1	2212613036	QZPQWCDANBBSCY-PSASIEDQSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccc(=NCCCC(F)F)[nH]c1	2212613172	STDMLPRJUNKNFG-UHFFFAOYSA-N	230.023	-0.360	50	10	BBGE	
C[C@]1(COCC2(C(=O)NN)CC2)COCCO1	2216069912	BSHUEXCSSWVVHM-SNVBAGLBSA-N	244.291	-0.421	50	10	BBGE	
Cc1cnc(O[C@@H](C)C[C@H](C)N)cc1B(O)O	2217168072	RUHZTJWSBFZRDM-IUCAKERBSA-N	238.096	-0.426	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H](F)C2)c1F	2217184559	QAMKROTUVSXEQT-ZETCQYMHSA-N	242.034	-0.161	50	10	BBGE	
CC[C@H](N)C[C@@H](C)Oc1ncc(B(O)O)cn1	2217191468	KAQMSCGHPBTIHV-APPZFPTMSA-N	239.084	-0.949	50	10	BBGE	
OB(O)c1cnc(NC[C@]23CCC[C@H]2C3)nc1	2217194529	AQSGRCQKPAXJEL-GZMMTYOYSA-N	233.080	-0.242	50	10	BBGE	
C[C@@H]1CCC=C[C@H]1Nc1ncc(B(O)O)cn1	2217197523	NIQSTRARKHTIAB-PSASIEDQSA-N	233.080	-0.077	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@]12CCOC2	2217200236	IUAXULGJQCDYBT-ONGXEEELSA-N	234.064	-0.648	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@H]3COC[C@H]23)c1	2217203844	AYCQTZCVWZNKRU-NXEZZACHSA-N	234.064	-0.934	50	10	BBGE	
CC[C@H]1C[C@H]1CCn1cc(B(O)O)cnc1=O	2217411205	QHGXQCLOOYBDCV-DTWKUNHWSA-N	236.080	-0.641	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC12CCCC2)C(=O)NN	2217482358	GFKALUSNRZOCTR-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CONS(=O)(=O)N1CC(Cl)C1	2241349046	ZDNDLCFHLRZCHN-UHFFFAOYSA-N	200.647	-0.695	50	10	BBGE	
CCOCCN1CCC(B(O)O)CC1	2241737581	XQOTYWSUOYPHSE-UHFFFAOYSA-N	201.075	-0.038	50	10	BBGE	
C[C@@H](O)CN(CC(=O)NN)C1CCC1	2242076361	RKIRUMHFLDNNPB-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CO[C@H](CCl)CNCCn1cnnn1	2242452302	YJCJKTYSPXYBRF-SSDOTTSWSA-N	219.676	-0.484	50	10	BBGE	
C[C@@]12CC[C@@]1(C)CN(C(=O)C#CB(O)O)C2	2243350016	UIGJEBBOFVBUNV-QWRGUYRKSA-N	221.065	-0.350	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2243398994	IQGWTJSPMHRLFQ-QUBYGPBYSA-N	222.053	-0.777	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2[C@@H](C1)C2(F)F	2243400716	GWIGPESHNMUEBZ-NKWVEPMBSA-N	228.991	-0.885	50	10	BBGE	
O=C(Nc1cnsc1)c1occc1B(O)O	2243410739	GYUWVZXWEOJTTR-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)O1	2243411609	XHZPXAFNWVHHOS-OCAPTIKFSA-N	227.069	-0.371	50	10	BBGE	
O=C(NCCC1(O)CCC1)[C@H]1C[C@@H]1B(O)O	2243415338	SIMNQUJNHFEPSE-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
NCCC1CN(C(=O)C2CC(B(O)O)C2)C1	2243417427	SSRCCCXATJPPDL-UHFFFAOYSA-N	226.085	-0.953	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1sncc1B(O)O	2244142910	DJIYNVCXRIEDFK-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
C[C@H]1CCN(C(=O)c2coc(B(O)O)c2)[C@H]1C	2247736078	SEGKFFJSQXTBJL-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1cc(B(O)O)c[nH]1	2247748172	ZBZQZLRGIWISDU-NSHDSACASA-N	236.080	-0.291	50	10	BBGE	
O=C(N1C[C@H](CO)C2(CC2)C1)C1(B(O)O)CC1	2247757776	RTQSNHWOMRASLQ-MRVPVSSYSA-N	239.080	-0.776	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1(C)CCC1	2247757817	XHNGOPLDARHMIJ-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccc(B(O)O)cn1	2247770313	ODNHUABTUPTBNZ-ZETCQYMHSA-N	240.043	-0.761	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cncc(B(O)O)c1	2247775534	MOHJZQUPJAVGCN-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
NC[C@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791627	NZBSMQDJQMDJNN-BBBLOLIVSA-N	240.112	-0.563	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)C(=O)[C@H]1C[C@H]1B(O)O	2247806650	ODTVOSWIXWROGM-WYOJIJJFSA-N	239.080	-0.513	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247809669	QLBBORGFIHGSFO-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCN(C)C(=O)C#CB(O)O	2247848116	HJLQKFDFYGUROS-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
CO[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)C1(C)C	2247850132	KFSALUODUGPOEP-RKDXNWHRSA-N	239.080	-0.726	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1c1ccc[nH]1	2247850374	NPHMCSRLQYFBDP-SNVBAGLBSA-N	232.048	-0.306	50	10	BBGE	
C=C1CC(CNC(=O)c2ccc(B(O)O)o2)C1	2247850724	SDDBBXRODQYMDP-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(F)c(B(O)O)c1	2247853207	HYFJHVHXRWFCPU-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247855521	UDAMAGJQZHGGLX-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1coc(B(O)O)c1	2247870253	GZQJXUUGIMTNLB-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1[C@H]2CNC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2247872382	RBMWJMHNWUCZRV-IWSPIJDZSA-N	238.096	-0.940	50	10	BBGE	
CNC[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878236	MODMSXZGNVUEMC-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
CCCN(C)C(=O)c1c(B(O)O)cnn1CC	2247892236	WPTSEHCDTOAYPJ-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247895009	NBKURVNCJQBVDN-MGCOHNPYSA-N	234.064	-0.078	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247896123	XGXQTXLJICHNTH-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC[C@@H]1CCCCO1)[C@H]1C[C@H]1B(O)O	2247897682	WBSWTXPTTZERMU-LPEHRKFASA-N	241.096	-0.075	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2247899191	LFTOANNCHKNZBN-JAJWTYFOSA-N	245.034	-0.181	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)C1CC(B(O)O)C1	2247904246	OZRWUGWLXMTKLL-XHHQTKHESA-N	241.096	-0.531	50	10	BBGE	
Cc1ccc(NC(=O)[C@H](C)CO)c(B(O)O)c1	2248439862	CRTYDMOYFJMSMZ-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248577926	QBZQNGPALSKLDY-BRDIYROLSA-N	243.068	-0.534	50	10	BBGE	
CC(C)(ONC(=O)C1(B(O)O)CCC1)C(=O)O	2248578801	SNTRRAVLABKABL-UHFFFAOYSA-N	245.040	-0.706	50	10	BBGE	
CCCOCCNC(=O)c1cocc1B(O)O	2249416494	SKTICWVPDZJECH-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ncc(B(O)O)cn2)C1	2255470616	HHJNKEHSNDITSP-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]21	2255473547	MRXUEPOYSROUNX-MRTMQBJTSA-N	249.075	-0.313	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nn2cccc2)c1	2255510894	BIQZUDYOWRMTOB-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cncc(B(O)O)c1	2255521850	BTVATDVRECYFNE-LBPRGKRZSA-N	246.075	-0.707	50	10	BBGE	
Cc1c(NC(=O)C#CB(O)O)cccc1C(=O)O	2255672211	CMUGECDAINCPGD-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1ccoc1B(O)O	2255717690	MMUYTLSRLCBXRD-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
O=C(N[C@@H]1CCn2nccc2C1)C1(B(O)O)CC1	2255745100	NEUJGHIESXIJER-MRVPVSSYSA-N	249.079	-0.679	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ncc(C)cc1B(O)O	2255798933	YRYQBQJZMFJIRT-SECBINFHSA-N	248.091	-0.284	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2258120438	BPTQMAILAFCRHK-BEYHFKMWSA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)co1	2258135721	HEGXNDVLYHFZJR-JZYVYDRUSA-N	249.075	-0.122	50	10	BBGE	
C#CC[C@H]1CCCN1c1nccc(B(O)O)c1F	2258954803	UIMZGIWYEGOOKU-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
CCCn1nccc1C(=O)NCCC#CB(O)O	2258955907	BMUNUVAUQCBKSK-UHFFFAOYSA-N	249.079	-0.572	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370692	HGZAGXFAMMQQSO-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298371024	VTGCLVIKWJSRSM-SRQGCSHVSA-N	238.096	-0.955	50	10	BBGE	
N[C@H]1[C@@H]2CC[C@H]1N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2298376706	KDKNOIGZLVRQID-SPFKKGSWSA-N	238.096	-0.813	50	10	BBGE	
CN1CCN(CCC[C@H]2C[C@@H]2C(=O)NN)CC1	2300370894	NLXAJWVKOKSHNT-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H](OC[C@H]1COC2(CCC2)CO1)C(=O)NN	2301335168	DOMMWSANIYQDSZ-BDAKNGLRSA-N	244.291	-0.281	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1CC(N)C1	2301366209	BUHOMIWEFFANPR-UHFFFAOYSA-N	232.048	-0.893	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	2302061958	XKNBNSBYRUFXLU-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
Cc1cc(N(C)C[C@@H]2CCO2)ncc1B(O)O	2302410629	MSBLZRZPPQXRRJ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)ccc1B(O)O	2309543693	ALJJNCKUCGXUPF-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
O=C(N[C@H]1CCCn2ccnc21)[C@H]1C[C@H]1B(O)O	2312850807	VEJXAFRHIOHIEJ-YIZRAAEISA-N	249.079	-0.303	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCNC1	2317165605	MIPLYIICWULIGW-VIFPVBQESA-N	245.091	-0.741	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)c1cccc(B(O)O)c1	2318632765	WKGNRCSSUYXRKC-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)c1ccc(B(O)O)cc1	2318670830	GCXRUWVRCJVOAQ-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
Cc1ncc(CN(C)c2cc(B(O)O)ccn2)o1	2319957437	GNXGOZMGIOMVPF-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
NC(=O)N(N=O)[C@@H](CCC(=O)O)C(=O)O	33857028	DZPDAZBHGBSWTO-VKHMYHEASA-N	219.153	-0.634	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H](C)C(=O)N(C)C	42576109	BKMHWPOEYMPMJU-NTSWFWBYSA-N	249.698	-0.084	50	10	BBGE	
O=S(=O)(CCCl)c1cncc2nnnn12	44610579	QNSHSQJVGCSRMV-UHFFFAOYSA-N	247.667	-0.468	50	10	BBGE	
COc1ccc(NC(=O)C(=O)NN)c(C)c1	61568935	CKMZJMDAWJCTNN-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](N2CCCC2)C1	82469101	CWUHLATXKGKVKK-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)CCN1C	82485341	FHLPEZIYWOIXKR-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](N(C)C)C1	86313520	XEXSGAVUJJZTAP-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](CC(=O)NN)n1nnc(-c2ccco2)n1	104117134	PJSZBHRTVHLUPZ-LURJTMIESA-N	236.235	-0.126	50	10	BBGE	
C[C@@H](CN1CCCN2CCC[C@@H]2C1)C(=O)NN	110584501	MQVXLAZIWWLBMV-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CCN(CCCO)CCCCC(=O)NN	124934986	XDGXTIIXHMCNEG-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
N[C@H](CC(=O)CBr)C(=O)O	145336111	YWQDZLIVCPYGGO-SCSAIBSYSA-N	210.027	-0.248	50	10	BBGE	
O=c1ccncn1C[C@H](O)CBr	156259427	QWALDPSDWYNGRC-ZCFIWIBFSA-N	233.065	-0.001	50	10	BBGE	
CN1CC(=O)N(C[C@@H](O)CCl)C1=O	157824018	AXYQQHWVMQZGTQ-YFKPBYRVSA-N	206.629	-0.520	50	10	BBGE	
CNCC(=O)NNC(=O)CCc1ccccc1	193128949	QAJUPSFZDHPPLS-UHFFFAOYSA-N	235.287	-0.014	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](CO)C1	222173878	MERJDOJWOFMWKZ-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N2CCCC2)C1	223087363	ACTGHUSIFIOJKP-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
NC(=O)NNC(=O)c1c(O)cccc1O	232442475	BVKZDEDWBZUHRD-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
O=C(Cl)Cn1cc(F)c(=O)[nH]c1=O	238575531	PWIYWKCMINASEX-UHFFFAOYSA-N	206.560	-0.559	50	10	BBGE	
CC[C@@H](C)[C@H](N)C(=O)N(CC)CB(O)O	238797801	IBTVIBUTSRESOI-SFYZADRCSA-N	216.090	-0.780	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cnc[nH]1	293834115	IFAKYWLWSWZMTD-SSDOTTSWSA-N	224.220	-0.650	50	10	BBGE	
Cc1ccc(CN2CCOCC2)cc1B(O)O	307023273	HKEWBXJBTRKJCL-UHFFFAOYSA-N	235.092	-0.493	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(S(=O)(=O)CCl)C1	308596043	YQWHKCXLZKKLNF-RQJHMYQMSA-N	243.712	-0.406	50	10	BBGE	
COC(=O)[C@H]1CCC[C@@H]1c1cc(B(O)O)on1	310381903	CLPYWXCRUAELSB-BQBZGAKWSA-N	239.036	-0.589	50	10	BBGE	
CC(C)(C)C(=O)Nc1cc(B(O)O)ccn1	380863551	FCZDHWKFHRVJEA-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CN=c1[nH]nc(SC[C@H](C)C(=O)NN)s1	385241195	CXFMUPLRNRPNSO-BYPYZUCNSA-N	247.349	-0.280	50	10	BBGE	
COc1ccc(B(O)O)cc1CC(C)=O	396020413	IBNGXQBHMBPELT-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1C#N	396089926	GFAJDTHOCKULIV-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
Nc1cc2ccsc2c(C(=O)O)c1B(O)O	396245935	RPIMJUPGSJLNCG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CN1CC(OC(F)F)C1)C(=O)NN	399901686	FODIVWVXLZBMIC-YFKPBYRVSA-N	223.223	-0.464	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401551888	SRQVXKGJVQUGFH-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
CN(C)S(=O)(=O)CC[S@@](=O)Cl	675071771	QONLOHCBBJISON-SNVBAGLBSA-N	219.715	-0.220	50	10	BBGE	
CO[C@H]1CCCN([C@@H](C)C(=O)NN)CC1	692063127	LONIDDNQBAAPPO-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]ccc2=N)CC1	692179262	STNFLIBBEIDEGG-UHFFFAOYSA-N	246.270	-0.015	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC(=O)N(C)C	695063296	UIRITWQRKVROST-VIFPVBQESA-N	244.339	-0.589	50	10	BBGE	
CCOCCOc1c(F)cccc1B(O)O	707074236	MJTHXEWXVMOEHI-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
NNC(=O)CCN1CC(n2ccnc2)C1	707214608	JXVJIPFELXJABF-UHFFFAOYSA-N	209.253	-0.880	50	10	BBGE	
CO[C@@H](C)C(=O)N1CCc2ccc(B(O)O)cc21	712975251	URVUQHURBZJHAI-QMMMGPOBSA-N	249.075	-0.710	50	10	BBGE	
O=C1[C@H]2C[C@H]2CN1S(=O)(=O)CCl	715584837	KZVHKUYAFSAZIF-WHFBIAKZSA-N	209.654	-0.009	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C[C@@H](C)C(=O)NN	724142922	WBASAGUREOXABI-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
COC[C@](C)(O)C(=O)NNC(=O)c1ccoc1	754994739	RNUQXQJAJCSTKQ-JTQLQIEISA-N	242.231	-0.562	50	10	BBGE	
O=C(CC1OCCO1)NNC(=O)c1ccoc1	793285130	MWXWXCZFQIITOY-UHFFFAOYSA-N	240.215	-0.196	50	10	BBGE	
CC(=O)NNC(=O)C[C@@]1(O)CCCN(C)C1	899927965	YBNNSYPGUNEAPE-JTQLQIEISA-N	229.280	-1.000	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)C[C@H](C)O	910185568	XSDSRPXYCBBMIZ-XHNCKOQMSA-N	244.291	-0.471	50	10	BBGE	
CC[C@@H](C(=O)NN(C)C(N)=O)[C@H](C)O	1457736178	OWPMHXDDPLJNGF-NTSWFWBYSA-N	203.242	-0.565	50	10	BBGE	
O=C(NNC(=O)c1ccnc(O)c1)NC1CC1	1597633693	VBSLNMITHPUAPP-UHFFFAOYSA-N	236.231	-0.106	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@@H]2F)nc1O	1608540505	BEHKDZYITNOYPM-WHFBIAKZSA-N	227.199	-0.313	50	10	BBGE	
COC(=O)C[C@H](N)C(=O)NC[C@H](C)Cl	1865967684	FHEASKLROAVVBO-WDSKDSINSA-N	222.672	-0.380	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@H]1C[C@H](O)CN1	1877393431	GTDXZGKDQKHULZ-ULAWRXDQSA-N	218.684	-0.547	50	10	BBGE	
N[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1877519562	GOKHYTXCYKYBFR-XUTVFYLZSA-N	218.684	-0.154	50	10	BBGE	
COC[C@@]1(C)CCN1CCC(=O)NN	1884804955	VHHNXABKLYPIBI-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
CS[C@H]1C[C@@H](C(=O)NNCCO)C1	1886707158	YKAXYIROEGNSRL-KNVOCYPGSA-N	204.295	-0.259	50	10	BBGE	
C[C@H](CC(=O)NN)OCCOC1CC1	1888043010	NCFPKFIFLNBRPF-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
O=S(=O)(CCCl)NC1([C@@H](O)CO)CC1	1888178081	XLRMWJWSMAYREG-LURJTMIESA-N	243.712	-0.970	50	10	BBGE	
C[C@H](S)C(=O)NN(C)S(C)(=O)=O	1888571102	CISROKDLAQQGLV-BYPYZUCNSA-N	212.296	-0.773	50	10	BBGE	
CCN(CCCCO)C[C@@H]1C[C@H]1C(=O)NN	1894281498	GCJFTWFHOLRMBV-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
C[C@]1(O)CCN(C[C@H](O)CCl)C[C@@H]1O	1894990908	HRPCTTMWSYXXEK-VGMNWLOBSA-N	223.700	-0.596	50	10	BBGE	
COCCN(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1895941207	NMRWHIXPKYUOQL-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1cccn(C)c1=O	1900891033	WJXHIIKXEBMSCC-SSDOTTSWSA-N	225.248	-0.467	50	10	BBGE	
CN(NC(=O)c1cccc(F)n1)S(C)(=O)=O	1901347886	ZIIDCAQFOYOIIW-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
CN(NC(=O)c1coc(CN)c1)S(C)(=O)=O	1901377109	KIECYDUIIOVQCD-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCOC2)ncc1F	1903006514	UTFRTZXWGFXUOQ-ZCFIWIBFSA-N	226.016	-0.899	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@@H](O)C2)C1	1908364137	IFSQCWXDPUFMMY-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)[C@H]1C1CC1	1908853763	KURLIDQUOZFQIY-ZYHUDNBSSA-N	241.335	-0.008	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1908900377	ZBIMDRPBSLFKIR-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@]12CCOC2	1915572603	JLINYHKPWHHLEP-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
CON(CCOCC(=O)NN)CC(C)C	1928664899	AWCCUGHGAOSNGL-UHFFFAOYSA-N	219.285	-0.488	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCn1cnnn1	1928857779	REDCLQXEPKILLM-RXMQYKEDSA-N	203.633	-0.583	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C)C(=O)NN	1929070436	OCWJDVQKAMGAPY-SSDOTTSWSA-N	200.286	-0.999	50	10	BBGE	
CC1(C)CCN(C(=O)NN)C[C@@H]1CO	1929513066	DTZVYKUPUMDROD-SSDOTTSWSA-N	201.270	-0.090	50	10	BBGE	
O=C(COCc1ccccc1)NNCCO	1929834098	VYULJILVNWAZKZ-UHFFFAOYSA-N	224.260	-0.184	50	10	BBGE	
COC[C@@H]1[C@H]2CCN(CC(=O)NN)C[C@H]21	1930162991	BLOFTHGSGFZFJM-DJLDLDEBSA-N	213.281	-0.809	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1931249558	ZTTXJQUYLZAVMB-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CS(=O)(=O)C1CN(CCOCCCl)C1	1932098267	SIZYZZOBMBZWRT-UHFFFAOYSA-N	241.740	-0.029	50	10	BBGE	
Cc1cc(C(=O)NNCCO)c(C)cn1	1933161865	YPZNPZDTTUIUPQ-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
CCCC1(O)CN(CC(F)(F)C(=O)NN)C1	1935942330	OUUFPCWXBRZFBS-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCCSC1	1936527366	AIQCEPVEBRAYGM-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CN(C)[C@H]1CN(Cc2nnn(C)n2)C[C@H]1Cl	1936885197	KYCBISMUQRVCIS-SFYZADRCSA-N	244.730	-0.437	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938246551	JKYGIMDPHSDORP-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
CCC[C@H](OCCO[C@@H]1CCOC1)C(=O)NN	1940246788	UPVPHISGFXBGBX-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
CO[C@H]1CN(CCOCC(=O)NN)CC[C@H]1C	1941773931	DUXUEPXFFROQTF-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1CN(C)CCCN1CCOCC(=O)NN	1941784912	WYZQAQGTUPTWLN-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)C[C@@H]1C	1945883246	WIRPCHZUKIKAEB-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](CN1CCOC[C@H](C2CC2)C1)C(=O)NN	1947399877	RWNWZEIWQHNARZ-GXSJLCMTSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@H]1[C@@H](CO)C2	1951027526	VNENWVOBRKPOJU-CSMHCCOUSA-N	249.261	-0.543	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@H](O)C#N)nc1	1952999101	ANMKIIYYQFPKMB-BDAKNGLRSA-N	221.216	-0.248	50	10	BBGE	
CC(C)CN(C)c1ccc(B(O)O)cn1	1961689848	FGRDMBSYTVNSBN-UHFFFAOYSA-N	208.070	-0.146	50	10	BBGE	
CN(CCN)S(=O)(=O)N1CC=C(C#N)CC1	1977050493	IICIQPYKQHHJKQ-UHFFFAOYSA-N	244.320	-0.723	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ncccc2C1	1977056401	CCNJZAJWBYVQDL-MRVPVSSYSA-N	220.276	-0.182	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2C[C@@H]2C)n1	1981425852	KXHUFVBDRDTPNN-XNCJUZBTSA-N	222.053	-0.440	50	10	BBGE	
CC[C@H](COC)Oc1ccncc1B(O)O	1981429994	KHDXLSNUTYVAQQ-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)N2CCOC[C@H]2C1	1986928920	DBLFEZOAIRJLPJ-JGVFFNPUSA-N	246.694	-0.317	50	10	BBGE	
COCCCOc1ncc(F)cc1B(O)O	1988003103	GPHUPXQFHGKWNR-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@@H]2CC[C@@H]21	1990773036	QQHKDXXDWVGOEV-DTWKUNHWSA-N	243.332	-0.267	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C2COCC1COC2	1991651341	HPPAAIZQQJBFOU-UHFFFAOYSA-N	245.662	-0.066	50	10	BBGE	
CN(C)C(=O)C1CN(C(=O)C=CC(=O)Cl)C1	1991654639	MSWISYFNJGKKOC-UHFFFAOYSA-N	244.678	-0.145	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@]2(CCOC2)C1	2002822022	GNPPMMPUUUJBAF-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
CC[C@@]1(CO)COCCN1CCCC(=O)NN	2003264923	QOUDETABEOOMMM-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
C[C@H]1C[C@@H](OCc2cc(C(=O)NN)no2)CO1	2004761171	GQKOCTKYPFVOJJ-NKWVEPMBSA-N	241.247	-0.028	50	10	BBGE	
CC[C@H]1C[C@H](C)CN1c1ncc(B(O)O)cn1	2004912925	ZNMYNWDFHUQOKU-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CC(n2cncn2)C1	2011124465	HLYBDKOHTPXBHQ-UEJVZZJDSA-N	238.295	-0.708	50	10	BBGE	
NNC(=O)c1occc1CN1CC([N+](=O)[O-])C1	2016889631	WZIRMVXSYNGZKH-UHFFFAOYSA-N	240.219	-0.656	50	10	BBGE	
C[C@H]1[C@H](N2CC(=O)OC(=O)C2)C2CCN1CC2	2017636700	CRZQCKYOAAZUOG-UFBFGSQYSA-N	238.287	-0.146	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC23CCOCC3)c1	2021307318	BXZVQRFTIWDDOR-SECBINFHSA-N	236.080	-0.620	50	10	BBGE	
OB(O)c1ccn(CC23COC(CF)(C2)C3)n1	2023878498	QXYIIKCDRHWUKF-UHFFFAOYSA-N	240.043	-0.918	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3CCO[C@H]3C2)c1B(O)O	2052473864	XVSISPIQFXAVGD-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
Cc1ncnc(N2CC(C3CCC3)C2)c1B(O)O	2052557661	UYRVBZSUFKJAHS-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
Cc1nc(N2CC(CN(C)C)C2)ccc1B(O)O	2052622987	CQBOHNNOOHKBLM-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1cnc(N(C)c2ccnn2C)c(B(O)O)c1	2052795169	HMWNOAYKRAOKBP-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C=C[C@@H]1CCOC1	2059309392	MNERTKLKUBIJOO-NXEZZACHSA-N	228.292	-0.077	50	10	BBGE	
Cc1ccnc(OC2CC3(COC3)C2)c1B(O)O	2061753389	HWOPMWGRBRNMAM-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCc2cccc(B(O)O)c2)C1	2063789520	PTBKKJHXDFZFFA-BETUJISGSA-N	249.119	-0.024	50	10	BBGE	
COc1ccc(CC(=O)NCC#CB(O)O)cc1	2077491768	DNSHVZYKSZDRPL-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
C[C@@H](O)C1(NC(=O)c2ccccc2B(O)O)CC1	2079008395	IZSHDJJEIFNVFD-MRVPVSSYSA-N	249.075	-0.990	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)c1nc(C)ncc1B(O)O	2079407588	WIOJICBGTBYUKX-VHSXEESVSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@H]1C1CCC1	2079930132	CSLISFBLMTXFAP-UWVGGRQHSA-N	248.091	-0.029	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H](O)[C@H]1O	2211719331	BGXYEZYCRFBPPT-PBDCQHRASA-N	245.706	-0.329	50	10	BBGE	
C#CC[C@H](C)CNc1ncccc1B(O)O	2212602305	BNHYYPWLUYKZGL-VIFPVBQESA-N	218.065	-0.167	50	10	BBGE	
CSCCN(C)c1nccc(B(O)O)c1F	2212602932	AUABIZWXJORISP-UHFFFAOYSA-N	244.100	-0.300	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]2Cl)c1F	2212603365	FLIARQXSDWJSKD-IYSWYEEDSA-N	244.462	-0.060	50	10	BBGE	
CCc1nn(C)c(C(=O)NNCCO)c1Cl	2212721349	NHBHXZWGHFWJBK-UHFFFAOYSA-N	246.698	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2[C@H](C[C@H]2O)C1	2213023528	DICTTYYUIYLCIG-QUARPLMYSA-N	241.335	-0.296	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@]2(F)C[C@@H]2C)n1	2214489459	YQBUZDAUNZBLKD-WKEGUHRASA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@H]1CCO	2215772105	LYJLOMIYHWWGEJ-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CCCN(CC(N)=O)CC1(C(=O)NN)CCC1	2216528050	KVDZAYRDBIYDGN-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCN1	2217175065	CPPWYFIKWQJGBH-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccnc(NCC2CC(O)C2)c1F	2217178755	ASUCKQAPHJQVNU-UHFFFAOYSA-N	240.043	-0.917	50	10	BBGE	
CNC1(CNc2cc(B(O)O)c(C)cn2)CC1	2217180900	WUXVSQJTMXDGTJ-UHFFFAOYSA-N	235.096	-0.766	50	10	BBGE	
Cc1cnc(OCCCCCN)cc1B(O)O	2217184708	RBMFJTRQIARMOB-UHFFFAOYSA-N	238.096	-0.422	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCCO[C@@H]32)c1	2217198118	WVRYHLIMENFDGN-GDPRMGEGSA-N	234.064	-0.649	50	10	BBGE	
CC[C@@H](CNc1ncccc1B(O)O)N(C)C	2217199111	AOSPLTQCIZBJGA-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
OB(O)c1ccnc(NCCc2ncc[nH]2)c1	2217200326	SDNSBEAZWIJGIK-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
OB(O)c1cccnc1NCC1=CCCOC1	2217202557	XJMGYAKDKLIAHY-UHFFFAOYSA-N	234.064	-0.480	50	10	BBGE	
OB(O)c1cccc(CN2CC(O)(C3CC3)C2)c1	2220060873	AHIFUOWUXDBIFQ-UHFFFAOYSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC=CCC2)[nH]c1	2223635610	ZGEFNNWZFGGHJN-SNVBAGLBSA-N	247.107	-0.263	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]1c1ncon1	2223639559	RVJUAXNPLXFQIR-QMMMGPOBSA-N	246.035	-0.904	50	10	BBGE	
CC1(C)[C@@H](CNc2ncccc2B(O)O)C[C@H]1N	2223672120	DFTAESWYLJHESV-PSASIEDQSA-N	249.123	-0.453	50	10	BBGE	
CN1C(=O)CC(=O)N(C(=O)CCl)C1=O	2241373170	LAYRCOIHSNOBNR-UHFFFAOYSA-N	218.596	-0.438	50	10	BBGE	
Cn1c(=O)cc(O)n(CCBr)c1=O	2241380302	ABZYJDJVFVFFDS-UHFFFAOYSA-N	249.064	-0.353	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CCC)B(O)O	2241481807	WABZVZJYKIIFTN-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
NC(=O)NNC(=O)c1cnnc(Cl)c1	2242217329	GNVNPOSNPYKLCD-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
CCCCCNC(=O)c1coc(B(O)O)c1	2243346878	FDOIQYICHBMQBX-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(CF)C1	2243349003	DBOYUKNQFKZXPT-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1csc(B(O)O)c1	2243349785	QMUCZMDKTVLUPQ-VDTYLAMSSA-N	243.068	-0.484	50	10	BBGE	
CC1(NC(=O)C2(B(O)O)CCC2)CC(O)C1	2243363199	CJGYXZAXKDHFPK-UHFFFAOYSA-N	227.069	-0.587	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)CCN1	2243365213	JIWMZGUTGSTYQW-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H]1C[C@H](N)CN1C(=O)C1(B(O)O)CCC1	2243365801	SHHMMZYMTAVUNK-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243392460	UHAUIOOXEXDQEC-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C=CC(C)(C)NC(=O)c1occc1B(O)O	2243398385	QAXVQEOENDJOIJ-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
O=C(N1C[C@@H](F)C[C@@H](F)C1)C1(B(O)O)CC1	2243398936	VOOPLYIOQMKZGO-KNVOCYPGSA-N	233.023	-0.098	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@H]1C2(F)F	2243400381	ABFGABJOCXMFDH-SHYZEUOFSA-N	228.991	-0.838	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)CC(F)F	2243400804	IAYLTDWSAKOKLZ-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
O=C(N1CCC[C@H](O)CC1)C1(B(O)O)CC1	2243410588	DSTXPEZUSIFWST-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H]1C1CC1)B(O)O	2243434293	WSAJCSLKUNVIBK-SECBINFHSA-N	245.109	-0.631	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243758301	DBMDWCWVNYVPSK-ACZMJKKPSA-N	229.041	-0.829	50	10	BBGE	
COCCNC(=O)N1CCC(B(O)O)CC1	2244168392	GHGJKNSQEOJUQQ-UHFFFAOYSA-N	230.073	-0.719	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)C(F)F	2244243043	YWGHIIWOAVCIFW-BYPYZUCNSA-N	234.970	-0.067	50	10	BBGE	
CC[C@@H]([C@H](C)CN(C)C)N(C)CC(=O)NN	2245098197	NZJZBSZJXKNXLB-ZJUUUORDSA-N	230.356	-0.116	50	10	BBGE	
CC1(C)CC[C@@H]1Cn1cccc(B(O)O)c1=O	2247391415	OCSYGJDHUJYGAQ-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)c[nH]2)CC=CC1	2247739941	DEHFYBMFSWVDJV-UHFFFAOYSA-N	234.064	-0.467	50	10	BBGE	
O=C(NCCCC(F)F)c1ccoc1B(O)O	2247740611	NBEPRGOGNHYFSM-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCOC1(C)C	2247747450	NPJGPNQMMWXOML-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
C=CCCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2247748205	ZJMMFZOLLUHMBK-UHFFFAOYSA-N	236.080	-0.267	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)C1(B(O)O)CC1	2247756655	TWDJWOUHNXNZRQ-LMMRHMAZSA-N	233.076	-0.380	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NOC(C)C	2247760405	HODMULQECICVCD-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
O=C(NC1(CCCO)CC1)[C@H]1C[C@@H](B(O)O)C1	2247786971	JDHWHWLBJXSVMS-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796656	BSZKZKUEKMFCMZ-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
COc1cccnc1NC(=O)[C@H]1C[C@H]1B(O)O	2247804793	IPMVIRMKVTYDDU-NKWVEPMBSA-N	236.036	-0.108	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247806684	OMNVAPWIMPVVBR-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ncccc1B(O)O	2247853095	GJGAXGJKKQWCLJ-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
O=C(Nc1ncccn1)c1ccc(B(O)O)s1	2247866833	TVWACVTWLKIITC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247867189	AJFVOHRTZFCQRG-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
CC#CCNC(=O)c1cc(F)ccc1B(O)O	2247867554	HZBMBJCIAAYDCM-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@@H]1CO)C1(B(O)O)CCC1	2247874879	QPFDEOXWQXRYIW-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC12CC2	2247878445	JWGIGWMXKUMKLH-MRVPVSSYSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247896321	YHXHRXWQADZILS-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905588	USYKEVMFDBMHMX-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2247962033	KKPLXMOTGYIZSG-MUWHJKNJSA-N	235.048	-0.790	50	10	BBGE	
O=C(O)CCCCCNC(=O)C1(B(O)O)CC1	2248577730	OTDWNRNNERLLBM-UHFFFAOYSA-N	243.068	-0.245	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2249433622	ORKWFDQBZUUPPF-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C#CC1(Nc2ccc(B(O)O)cn2)CC(C)C1	2250667236	SNVMXZJIQJGYSJ-UHFFFAOYSA-N	230.076	-0.025	50	10	BBGE	
CC1CCN(C(=O)c2ncncc2B(O)O)CC1	2255520064	GAFVWYRBOYGKDS-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
Cc1cnc(C(=O)N[C@]2(C)C[C@@H]2C)c(B(O)O)c1	2255558218	FTMJSSPEXNDKGK-QPUJVOFHSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccc(C#N)cc1	2255678250	BACBCYIZVPNCMZ-SECBINFHSA-N	242.043	-0.249	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1nc(C)ccc1B(O)O	2255686357	QEBQYZMHPQBNNF-SECBINFHSA-N	246.075	-0.624	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ccncc2B(O)O)[C@@H]1C	2255733242	IBPGAXHIBXEMPB-SOCHQFKDSA-N	248.091	-0.464	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ncc(B(O)O)cc1C	2257485817	BTOGVIAWGPUOOU-SECBINFHSA-N	248.091	-0.284	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1cocc1B(O)O	2258127113	ICSKOZPPOWUZLR-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
CC[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCN1	2298370585	CZBJWHRYCXSCHH-KKZNHRDASA-N	240.112	-0.502	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298374629	FXYDQTFESMGMRN-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@H]2C[C@]1(CO)C2	2299945062	FODTYBKLMFDGMO-QFOLPQNPSA-N	239.319	-0.541	50	10	BBGE	
CC=CC(=O)Nc1ccc(OC)c(B(O)O)c1	2301527295	UDPVALBEEMGTDL-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
CCC#CC(=O)Nc1ncc(B(O)O)cc1F	2302832616	DXOGWEJAMXOPSK-UHFFFAOYSA-N	236.011	-0.748	50	10	BBGE	
COc1nn(C)cc1CN1CC[C@H](B(O)O)C1	2303102244	SMZINXSBPCZJBE-VIFPVBQESA-N	239.084	-0.523	50	10	BBGE	
O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@H](B(O)O)C1	2303102904	BIYVFCWMCIUBQA-AXTSPUMRSA-N	239.080	-0.371	50	10	BBGE	
NC[C@@H]1CC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303848906	FDRREGZGLFHFMY-IMTBSYHQSA-N	240.043	-0.983	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308210	IHVHFELBIHDJQN-NEPJUHHUSA-N	249.075	-0.232	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@@H](CO)C2)cc1B(O)O	2317347997	GSXUEWCCTKDHOJ-DKTWLAJQSA-N	249.075	-0.638	50	10	BBGE	
OB(O)c1cc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1F	2320801095	FUNYFZDUJUDGGV-WCTZXXKLSA-N	249.050	-0.066	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CCCO1	17083961	DAUSWOVXMOMPJL-HTQZYQBOSA-N	228.248	-0.508	50	10	BBGE	
CC(C)NC(=O)CNC(=O)NC(=O)[C@H](C)Cl	36782104	QSHJEPOXBSHVNX-LURJTMIESA-N	249.698	-0.036	50	10	BBGE	
CNC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	37225130	GLCLGDOGIOSMHE-SCSAIBSYSA-N	221.644	-0.815	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H](C)O	82468155	NFJVSMBUCNZHDK-SFYZADRCSA-N	203.286	-0.687	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCS(=O)CC1	86313557	YGSKAJAEAGLQKS-HTQZYQBOSA-N	233.337	-0.935	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NC(=O)CN1C	140604876	SVILJOZNVGKYNA-SOFGYWHQSA-N	209.205	-0.654	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1cccn1C	157120603	KZAOYDBPILWWMG-ZCFIWIBFSA-N	210.237	-0.867	50	10	BBGE	
Cn1nc(-c2nccs2)cc1B(O)O	200723059	QWRIYLKJLXECNB-UHFFFAOYSA-N	209.039	-0.777	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(=O)NC1CC1	211937636	CGANYKJGVIMRRP-VIFPVBQESA-N	242.323	-0.645	50	10	BBGE	
N#C/C(=C/Nc1nc[nH]n1)C(=O)NCCCl	217236557	XWEYWIMNDAMYTB-XQRVVYSFSA-N	240.654	-0.021	50	10	BBGE	
Cn1cc(B(O)O)c(Oc2ccccn2)n1	219667803	VEMPRLUJZCSOPA-UHFFFAOYSA-N	219.009	-0.713	50	10	BBGE	
O=C(CCCCCl)N1C[C@H](O)[C@H](O)C1	227259925	NSYLLUJVSKKQJY-OCAPTIKFSA-N	221.684	-0.041	50	10	BBGE	
CNC(=S)NNC(=O)NCCSC	379397497	OIVFBCCYGIRPFB-UHFFFAOYSA-N	222.339	-0.343	50	10	BBGE	
CCC1(O)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	384134287	LWBJDKNMHZVZDP-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CN1CC[C@@H](N(C)Cc2cccc(B(O)O)c2)C1	385294296	QEPZXQHJJCCGNX-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@H](COC)C(=O)NN	385903938	PLUITDMHCLUNQS-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnn(C)c1N	393784952	SYLHYVULTVIOQV-UHFFFAOYSA-N	243.292	-0.874	50	10	BBGE	
O=[N+]([O-])c1ccc2nc[nH]c2c1B(O)O	396112795	SGHVVOTWAMVHQV-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
Nc1c(CO)c(B(O)O)cc2ccsc12	396248660	MNWXQHMBQSMUOP-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
COC[C@H](C(=O)NN)N1C2CCC1CC2	398898862	PERHLZAURCQOLZ-AMDVSUOASA-N	213.281	-0.382	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C2CC2)C1	400132468	SUCMUYGWLPQVPT-VHSXEESVSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@]1(CO)CCCN(C(=O)NN)C1	402741821	WUWBXNNEJZSEBB-QMMMGPOBSA-N	203.242	-0.957	50	10	BBGE	
CSCC(=O)Nc1ccc(C)c(B(O)O)c1	404992304	CXTPFSYDMDJKBD-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CN(C)C(=O)C(=O)NN	686388267	GFIZNWOTZDMAJL-CSMHCCOUSA-N	229.280	-0.752	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCN2)CC1	692167943	QOEBBDQZHUSOEM-QMMMGPOBSA-N	209.249	-0.775	50	10	BBGE	
CCCCOCCn1cc(B(O)O)cn1	694510451	VXXVCEPDYWBWBI-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H](CO)C1	696780564	SXUHAHOQTRQKHR-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C(F)F)C1	706487319	LZDNQZXZBLDVCF-ZCFIWIBFSA-N	223.223	-0.812	50	10	BBGE	
CS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NN)C1	707279484	UHSJBVIVOKIBGZ-NKWVEPMBSA-N	231.321	-0.281	50	10	BBGE	
COCCOC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	707345910	HSILTHHSVBJECJ-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1CO	708125107	TVFFJEXWKDRODH-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@]1(C)CO	723001658	ZXZZUEBHVAWWBY-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
O=C(NCB(O)O)c1cccn2nccc12	723510977	WCQCINLVHCEQQK-UHFFFAOYSA-N	219.009	-0.924	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@@H]2COCCO2)CCC1	750075283	VWFRAPOBTWXABE-QMMMGPOBSA-N	242.275	-0.261	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)C1CCCC1	772139667	NTFDHQWQFXLCRW-UHFFFAOYSA-N	227.264	-0.540	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)NNC(=O)C1CC1	929230034	LUQXHMSPFRKNTR-XPUUQOCRSA-N	228.248	-0.652	50	10	BBGE	
O=C1NC[C@H](CNS(=O)(=O)CCl)O1	1260939156	LJEDAPYZVAZUNN-SCSAIBSYSA-N	228.657	-0.790	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cnn[nH]1	1293054430	GVDBFOHEEVPZKA-RXMQYKEDSA-N	222.208	-0.885	50	10	BBGE	
CCn1ncc(C(=O)NNc2ccn(C)n2)n1	1306835191	FEVIYOYNEJECLF-UHFFFAOYSA-N	235.251	-0.212	50	10	BBGE	
COCC(=O)NN=Cc1nnc(C)s1	1329112337	YBLCZTNLBCGHEK-UHFFFAOYSA-N	214.250	-0.057	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)[C@H](C)CO	1473469013	PLYPYYICFZZZDC-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	1543665075	RXMQLHJEOGOCOW-QYNIQEEDSA-N	213.237	-0.486	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1cccc(C)n1	1635616983	VNETWOOYNCOUDK-VIFPVBQESA-N	235.243	-0.302	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1F	1638295946	JTPKJCKEFNCEDY-RITPCOANSA-N	203.217	-0.947	50	10	BBGE	
Cc1ccc(S(=O)(=O)NNC=O)cc1	1858080938	YHFUDEVHQVRBOD-UHFFFAOYSA-N	214.246	-0.066	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1COC[C@H]1O	1877520736	QISHYXFLYINVNR-IYTQHBPKSA-N	219.624	-0.816	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1CC[C@H]1O	1878008195	IDAHDHGXCHXWNU-NTSWFWBYSA-N	213.686	-0.127	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@H]1Cl)C1CNC1	1883568046	TUAKYYCGQVJDGN-CAHLUQPWSA-N	224.713	-0.495	50	10	BBGE	
C=C(Cl)COc1ncccc1B(O)O	1885153257	KSGLTPKBRXMIOW-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
NNC(=O)NCC[C@H]1CCNC(=O)C1	1885786150	BVMJTRYGRPMLAX-ZCFIWIBFSA-N	200.242	-0.924	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(C(=O)F)C2)N1	1887186416	NDVLXVWKEKXSDH-ZETCQYMHSA-N	201.157	-0.640	50	10	BBGE	
COC(=O)NN(C)S(=O)(=O)C1CC1	1888570992	BAWHIJJYOGKOSE-UHFFFAOYSA-N	208.239	-0.319	50	10	BBGE	
NC(=O)CN(CC(=O)O)C[C@H]1C[C@@H]1Cl	1893101075	YZKFSXRQKQUECT-RITPCOANSA-N	220.656	-0.514	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1895229346	POCRWCJNHGKWGY-QEYWKRMJSA-N	227.308	-0.400	50	10	BBGE	
C[C@]1(O)CN(C[C@@H](O)CCl)CC[C@H]1O	1901104860	KFHNWWYSYREUPO-YIZRAAEISA-N	223.700	-0.596	50	10	BBGE	
CN(NC(=O)c1ccc(C#N)o1)S(C)(=O)=O	1901348368	HSXOAEBGMDHOSM-UHFFFAOYSA-N	243.244	-0.313	50	10	BBGE	
CN(NC(=O)/C=C/C(=O)O)S(=O)(=O)C1CC1	1901348718	NHOIIJBWAIYCKE-SNAWJCMRSA-N	248.260	-0.918	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCCCN1)S(C)(=O)=O	1901374486	USCWDBGNSWEPEU-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CN1CC[C@@H](N2CC[C@@](C)(B(O)O)C2)C1=O	1902540120	BNHMAFSCNNNYTO-PSASIEDQSA-N	226.085	-0.844	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ncc(N(C)C)cc1=O	1905534864	KPHDBGPSBGWQIS-ZETCQYMHSA-N	239.279	-0.750	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cc(F)ccc1B(O)O	1908958177	RXAYUDDIQQCTMQ-OIBJUYFYSA-N	240.039	-0.081	50	10	BBGE	
Cc1cn(C[C@H](C)C(=O)NN)ccc1=O	1912215054	CPWMMYNNBWSOCO-QMMMGPOBSA-N	209.249	-0.217	50	10	BBGE	
CO[C@H]1CCN(Cc2ccc(B(O)O)cc2)[C@@H]1C	1914308644	KUBAKJVERFCUTI-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@H]2CCNC2)CC1	1917111090	XYHZPSZJMXWICS-JTQLQIEISA-N	241.316	-0.166	50	10	BBGE	
CC1(C)C[C@H]1CCCNC(=O)C(=O)NN	1927798287	RLBORIUOCPCZKG-SSDOTTSWSA-N	213.281	-0.081	50	10	BBGE	
C[C@H](N)CSCC1(C(=O)NN)CC1	1931267424	UNBFNNMITODIPC-LURJTMIESA-N	203.311	-0.163	50	10	BBGE	
C[C@@]1(CCl)CN(CCS(N)(=O)=O)C1=O	1931736359	XMXYHRJOPYOYAQ-SSDOTTSWSA-N	240.712	-0.638	50	10	BBGE	
O=C(c1cnn[nH]1)N1CC(OCCCl)C1	1932102670	XEHCMNQVYSIWKV-UHFFFAOYSA-N	230.655	-0.116	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1COC[C@H]1O	1933389928	RACSPXMNLCVIEL-PHDIDXHHSA-N	229.685	-0.891	50	10	BBGE	
CC[C@@H](Sc1nnc2nc[nH]n12)C(=O)NN	1935693006	BVVBQLKYZCWKCD-SCSAIBSYSA-N	241.280	-0.687	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1CCCNC1=O	1935735994	XRBWHBYJFNGYTK-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN(C)C1CC1	1936675149	CLQLTESCTQVMFY-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
CCCC1(O)CN(CC2(C(=O)NN)CC2)C1	1938248618	ITTLHUAKZDHRMF-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
N#CC1CCN(CC2(C(=O)NN)CC2)CC1	1938249524	VSFXKIGXHBULAR-UHFFFAOYSA-N	222.292	-0.008	50	10	BBGE	
CCC1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941084762	ILIGUQKQLIUHFC-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CCN1CC(CN(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1941085727	FKUGBFVEFBDTDU-MNOVXSKESA-N	240.351	-0.504	50	10	BBGE	
C[C@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1941092631	LFOFWBNMRSYCDM-OOJXKGFFSA-N	239.275	-0.747	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CCC1=O	1941990366	XXONFGUOZGAEJD-VIFPVBQESA-N	241.291	-0.545	50	10	BBGE	
Cc1cn(CC2(C(=O)NN)CC2)nc1[N+](=O)[O-]	1945884788	WLWHWEGGYRVUNK-UHFFFAOYSA-N	239.235	-0.130	50	10	BBGE	
COCC1(O)CCN([C@H](C)CC(=O)NN)CC1	1946493073	JXIZIKGLGVTTPT-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H]1COCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1948697861	YRHXREZYEBRMNQ-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC2(CC2)CO1	1954973741	QSCFAVUJACTPOT-YFKPBYRVSA-N	215.278	-0.580	50	10	BBGE	
NNC(=O)N1C[C@@H](CO)OC2(CCC2)C1	1960394243	BWPYDPLDYPPKNS-ZETCQYMHSA-N	215.253	-0.815	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1961815210	LBFNSIGNJOWCRH-MQIGXGKASA-N	209.293	-0.047	50	10	BBGE	
CN(C)CCCCN(C)CCC(=O)NN	1974982427	GIJAEPMGFILYAO-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	1975086247	CBCZLZYRFFTYIR-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
CC[C@@H](C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1976978652	BMBFOZITSAILCM-RQJHMYQMSA-N	231.057	-0.535	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@H](COC)C(=O)NN	1977877773	CGSPLNGZFNWPFZ-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
C[C@@H](CN1CCC=CCS1(=O)=O)C(=O)NN	1979179956	VQFSPURJIASJND-QMMMGPOBSA-N	247.320	-0.796	50	10	BBGE	
CCSC1CN(c2ccncc2B(O)O)C1	1981415517	FTOIASYTCWZTMU-UHFFFAOYSA-N	238.121	-0.297	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@H]2C)c(B(O)O)c1	1981469301	QDXDJPIJGBCCQT-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
O=C1NCC2(CCN(C[C@@H](O)CCl)CC2)N1	1983847808	OJIBMKFPCAMTNA-QMMMGPOBSA-N	247.726	-0.267	50	10	BBGE	
O=C(CCCl)N1CC(=O)N2CCOC[C@H]2C1	1986929247	KUHWKPBUKKSKKV-MRVPVSSYSA-N	246.694	-0.315	50	10	BBGE	
CO[C@@H]1CCC[C@H](N(C)C(=O)C(=O)NN)C1	1987410118	ZMJCIPBCRFVLCB-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
OB(O)c1ccn(C[C@]23C[C@H](CCO2)C3)n1	1990121388	GMUYCKVUHOKGOW-WAAGHKOSSA-N	222.053	-0.868	50	10	BBGE	
C=CC1(O)CCN(CCCC(=O)NN)CC1	1990545938	RUSLPUHECBURBH-UHFFFAOYSA-N	227.308	-0.231	50	10	BBGE	
CO[C@@H]1CN(C)C[C@@H]1NC(=O)C=CC(=O)Cl	1991647388	CVFMGLZGBOBSEA-JGVFFNPUSA-N	246.694	-0.247	50	10	BBGE	
NNC(=O)c1nc(Cn2cc(F)cn2)ns1	1992089741	KMRINQRCUJXZET-UHFFFAOYSA-N	242.239	-0.475	50	10	BBGE	
OB(O)c1cccc(Cn2cc(F)cn2)c1	1992090239	SVARWANNRPOELD-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
C=C(CN1CC(N2CCCCC2)C1)B(O)O	1992148877	USHBMOBAGZJVMD-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
Cc1cc(CN(C)CCC(=O)NN)ncn1	1995109509	KDKRVPKQYGKHNA-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1[C@H]2CC[C@H]21	1997531392	YESVIHABWWLVHW-URLYPYJESA-N	231.060	-0.039	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CCC(O)CC1	1997581558	OHJPKOXAOGEGMY-PMUOWJKOSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@H](O)C2)c1	2000935241	UXAFVEXBKDXQGS-VIFPVBQESA-N	237.259	-0.384	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2001040245	OMSGHVZJFJZMGQ-BXKDBHETSA-N	239.319	-0.275	50	10	BBGE	
CO[C@]1(CN(C)CCC(=O)NN)CCCOC1	2001494289	HXXOKRROLJTHDA-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	2002913378	BMCZEDOUGUUNIO-HBNTYKKESA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1ccc(N2CC(CC(F)F)C2)nc1	2004917764	YHKDDDAVPBTPLH-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
CCN(CCOC)c1cc(C)c(B(O)O)cn1	2004918091	HHVKTVDQCFBVBS-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
COC(C)(C)COc1nc(C)ccc1B(O)O	2004930890	XZTDAXKPPFFPDY-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
CN(Cc1cnco1)c1ncccc1B(O)O	2004935675	ZVAFVOXMNNLJIT-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
Cc1ccnc(-n2cnc(C)c2C)c1B(O)O	2004991417	QUYVQRMIFCJZFQ-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cccnc1	2020068592	SVNIJESGNHWKOV-SNVBAGLBSA-N	232.048	-0.088	50	10	BBGE	
CCn1cc(NC(=O)NCC#CB(O)O)cn1	2021105944	YWONPXWSYDRRML-UHFFFAOYSA-N	236.040	-0.960	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC(F)(F)C3)(C1)C2	2023855029	VOXCOFSBRXDLBD-KYZUINATSA-N	247.245	-0.524	50	10	BBGE	
O=C(CCC1CCC1)Nc1ncc(B(O)O)cn1	2042743079	QVRJSLFJKZPSDZ-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
OB(O)c1cnc(N2CCC(C3CC3)CC2)nc1	2052465912	DWFUMDORKFTYSP-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCC[C@@H]3C2)nc1	2052469159	MZMCYHAHZXGEPQ-NXEZZACHSA-N	247.107	-0.217	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)c1ncccc1B(O)O	2052499650	WWVBQIOFXSEFAT-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncnc(N2C[C@H]3[C@@H](C2)C3(C)C)c1B(O)O	2052552980	AMALWCKNLPALRU-DTORHVGOSA-N	247.107	-0.443	50	10	BBGE	
OB(O)c1ccccc1COCCn1cccn1	2064610905	YVJNBTTVUKQBOB-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)CC12CC2	2068140150	VZEGQTWNCHCCNF-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
Cn1ccc(CC(=O)N[C@@H]2CCC=C2B(O)O)n1	2076082539	UYXOEKWKLZJRHH-SNVBAGLBSA-N	249.079	-0.820	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2ccnnc2)c1	2086138624	DBEATAAIYOTTRV-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1ccnnc1C(=O)N1CCC(B(O)O)CC1	2208629215	LTZOIPGAPSKKOI-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
OB(O)c1cccnc1SC1COC1	2210065694	PYHRUELOFXMOBP-UHFFFAOYSA-N	211.051	-0.748	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3C[C@H]32)nc1	2212603505	OYFUKKRIPRQOJJ-FTLITQJKSA-N	219.053	-0.633	50	10	BBGE	
OB(O)c1ccnc(NCc2cnoc2)c1	2212611892	FHLZRSFWPJLHCN-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	2215200459	ZDLJZNONJQHWNI-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H]2[C@@H]1CO	2215770678	CYIIWQDMZBZYBP-XXFSISAASA-N	239.319	-0.685	50	10	BBGE	
Cc1nc(CNc2ncc(B(O)O)cn2)co1	2217172271	ITMOAELROXPWIN-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H](C2)O3)cc1B(O)O	2217180766	KRFMGYJECCCYFQ-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
N[C@@H](CNc1ccc(B(O)O)cn1)C1CCC1	2217181617	SDHCHBCXCYDLOO-JTQLQIEISA-N	235.096	-0.699	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1nccc(B(O)O)c1F	2217182317	CAGKYPOGHNYASM-HTRCEHHLSA-N	240.043	-0.653	50	10	BBGE	
C#C[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2217182852	DAMLEVOMMBUAHI-QMMMGPOBSA-N	234.039	-0.640	50	10	BBGE	
CC(C)[C@H](Oc1ccc(B(O)O)cn1)[C@H](C)N	2217183107	FPYHGFYQCXKZCC-KWQFWETISA-N	238.096	-0.488	50	10	BBGE	
NC1(CCOc2cc(B(O)O)ccn2)CCC1	2217188418	NXAXHJPNIGTGDR-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
OB(O)c1ccnc(NCCc2cc[nH]n2)c1	2217198847	HCDDXWDLVYDYRR-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
C[C@H]1CO[C@H](CNc2cc(B(O)O)ccn2)C1	2217199571	NKLIDARJZSOBOH-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
CCC[C@@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217203455	VFVPCYOBPCOQPJ-BDAKNGLRSA-N	235.096	-0.574	50	10	BBGE	
CC(F)(F)C1CN(c2cc(B(O)O)ccn2)C1	2217204539	LEAOWAFMIYTPRM-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccn(C)n1	2223633413	WIZZTBBGOBHPOB-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1cccnc1NCCCc1cn[nH]c1	2223668212	XPGHEBCJVWSGRZ-UHFFFAOYSA-N	246.079	-0.471	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1N(C)C	2223673584	GMWKTQPDOUOQNL-GXSJLCMTSA-N	249.123	-0.852	50	10	BBGE	
C[C@@H](OCCOCC(=O)NN)C(F)F	2241800874	XPIBHQVUQSEOGA-RXMQYKEDSA-N	212.196	-0.337	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(O)(CCO)C1	2241811832	UKBRXFXAKXAAFP-LURJTMIESA-N	207.657	-0.431	50	10	BBGE	
CSCCN(C)C(=O)c1coc(B(O)O)c1	2243347479	MHZDWIAXZJNBJQ-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
C=C(F)CN(C)C(=O)c1nscc1B(O)O	2243349569	NHNFHBGGUIXNED-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
CCC1CN(C(=O)c2ccoc2B(O)O)C1	2243356813	NDBXGQRIKCLCSP-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)c[nH]1	2243357327	VAEQZYUKPCSDQB-UHFFFAOYSA-N	224.069	-0.386	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ccc(B(O)O)o1	2243361741	GLKFJGGQXORIOV-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@@H]1O	2243399299	YPHGOJLUVDDPBL-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC12CCCC2	2243399554	NMTBGEVBJSZHPM-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
Cc1ncsc1CN(C)C(=O)C#CB(O)O	2243400544	CXBBYISSCGRKGR-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
O=C(NCCCCF)c1csc(B(O)O)c1	2243407419	RKNDZGXOCUAUBH-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
CC1=CCN(C(=O)c2ccsc2B(O)O)C1	2243407959	CZRXTIWXVQUBAO-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ncsc1B(O)O	2243408126	HQELPUICPLZMNI-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
C[S@](=O)CCCNC(=O)C1CC(B(O)O)C1	2243414080	SWFKCVCYLSZSQQ-NUYYARQXSA-N	247.125	-0.876	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)C1CC(B(O)O)C1	2243414163	UZIRMHDPQNPYLV-QKZHKQSRSA-N	227.069	-0.610	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(=CCC)C1)B(O)O	2243427253	SJIPTQPPYSFKKL-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
CC(C)[S@](=O)Nc1ncc(B(O)O)cc1F	2243588757	GLYZTIQDWGFONU-INIZCTEOSA-N	246.072	-0.616	50	10	BBGE	
O=C(CCN1CCCC1)NCC=CB(O)O	2243684632	DFYZFCGVECTGFC-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
CC(C)[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243758665	JJXLKBKMQTUIOC-RRKCRQDMSA-N	229.041	-0.925	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1ccc(B(O)O)o1	2244016616	ZRMSLLPXHUTPBR-IZLXSQMJSA-N	243.455	-0.541	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CC[C@H]2C1	2247741024	STPWQELMKVOPAK-YUMQZZPRSA-N	234.064	-0.824	50	10	BBGE	
C[C@@]1(NC(=O)c2ccoc2B(O)O)C=CCC1	2247741328	XYPXMYLPQLCKOC-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2247742734	SVCHFGPURCAQLI-MYJAWHEDSA-N	237.064	-0.830	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC=CCC1	2247747528	OVUZKOKDAPNKHR-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)CCN1	2247753654	IYKNGNSGOXAKQZ-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)cn2C)[C@@H]1C	2247762245	CRODOLFDIIBCRI-LYIWLLOFSA-N	236.080	-0.911	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CC2)C[C@H]1CO	2247797830	NHVQEMNFZZYNCC-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
O=C(NCCCn1cccn1)[C@H]1C[C@@H]1B(O)O	2247806065	DBERVODIKABVRV-IUCAKERBSA-N	237.068	-0.748	50	10	BBGE	
O=C(C#CB(O)O)NCCC1CC(C(F)F)C1	2247840843	BSKOUPYDFYGKDT-UHFFFAOYSA-N	245.034	-0.201	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247846679	KNBCMMSDZAIRNX-UHFFFAOYSA-N	234.064	-0.515	50	10	BBGE	
O=C(NC[C@@H]1CCN1C1CC1)C1(B(O)O)CC1	2247879341	SVCAETBEIHYHEB-VIFPVBQESA-N	238.096	-0.654	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)C2(B(O)O)CC2)CC1	2247879877	YONYXGWMEMGMSK-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]2C[C@H]21	2247887759	RKJAZZNWQRVKHR-KYXWUPHJSA-N	238.096	-0.846	50	10	BBGE	
CN1CC2CC1(CNC(=O)[C@H]1C[C@H]1B(O)O)C2	2247898084	AGSRKCOTTLNPFI-UVCIYIGYSA-N	238.096	-0.940	50	10	BBGE	
COc1ccc(NC(=O)C(F)F)c(B(O)O)c1	2248415741	GCKPMBQVMVYVEI-UHFFFAOYSA-N	244.990	-0.421	50	10	BBGE	
CC=CC(=O)N(C)Cc1ccccc1B(O)O	2248416400	RNICMUSXUHTXLU-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248573423	DRUMIJPJQRQSHE-YWIQKCBGSA-N	243.068	-0.535	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248578420	SYUWLHMFJDBHOS-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cnn(C[C@H]2COC3(CCC3)C2)c1	2248794388	AAEHQADSTKRIIL-VIFPVBQESA-N	236.080	-0.478	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2C=CCC2)n1	2249274827	PIBHGBIYDLSVBU-QMMMGPOBSA-N	235.048	-0.133	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(CCF)C1	2249429030	GARFWORLEGWWEA-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)C2(C)O	2249593500	XEAZXBAVXUNRBY-GRXFLCFDSA-N	241.335	-0.296	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cccnc1O	2250865383	VJOBVSJUSZPVJY-VIFPVBQESA-N	238.291	-0.013	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2251005544	VXJLDZRSGHIEGT-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ccncc1B(O)O	2255443769	DPMWPOKMRADHFQ-UHFFFAOYSA-N	248.091	-0.297	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC[C@H]2C[C@H]21	2255508076	IFNJKRMKVRKPEF-WCBMZHEXSA-N	248.091	-0.671	50	10	BBGE	
Cc1ccc(C(=O)N2CC3CC2C3)c(B(O)O)c1	2255511741	OEMNQBBLZQNWCV-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
Cc1cc(C(=O)NCCCC#N)ccc1B(O)O	2255735826	BLVSIFROKWIPRX-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1cncc(B(O)O)c1	2255736116	GXOFTIHREWSIDU-NXEZZACHSA-N	246.075	-0.853	50	10	BBGE	
CCOC(=O)C(C#N)=CNCc1ncnn1C	2297717883	DMYVVNAZOLHBLH-UHFFFAOYSA-N	235.247	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@H]1B(O)O	2298369388	SJMDQJHFLPVMBY-SWXZISNSSA-N	239.080	-0.875	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@@H]12	2298377076	CTQXPHCIINTQHT-IHICSVBISA-N	238.096	-0.909	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC(F)(CO)C1	2300367139	GIDVNZACOALYDK-DTWKUNHWSA-N	245.298	-0.591	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300367236	DFFJZUWJZABJEO-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2C[C@@H]3COC[C@@H]3O2)C1	2303098393	XEEDNDRPLZRDAF-DBIOUOCHSA-N	241.096	-0.661	50	10	BBGE	
CCN(CC)C[C@@H](O)CN1CC[C@H](B(O)O)C1	2303099827	SEZNWFSKPPPSED-WDEREUQCSA-N	244.144	-0.762	50	10	BBGE	
CCOCCNC(=O)N1CC[C@](C)(B(O)O)C1	2303151834	UFJKIXWNEHLPGL-JTQLQIEISA-N	244.100	-0.329	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC[C@@H]2COCCO2)C1	2303158352	LVJKWNSKGHOEQT-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1cc(B(O)O)c(F)cn1	2303847525	KHQMIBNXGRNFAB-ZCFIWIBFSA-N	242.059	-0.528	50	10	BBGE	
CC(C)c1cc(CNC(=O)C(=O)NN)ccn1	2307524511	IXXABNXCCVXKOS-UHFFFAOYSA-N	236.275	-0.189	50	10	BBGE	
OC[C@H]1[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2312408859	FNRDDYDLGNUZMK-RTXFEEFZSA-N	247.103	-0.821	50	10	BBGE	
CCOCCC(=O)NNC(=O)C=CC(=O)O	2313806105	ORPCQLULEPUUNO-UHFFFAOYSA-N	230.220	-0.799	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]n1)c1ccoc1	61483690	IWDQWFPBYXPEBO-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
C[C@@H](Sc1nnnn1C1CC1)C(=O)NN	70157673	TXDQFFTUYBUESE-SCSAIBSYSA-N	228.281	-0.522	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCN1CCCC1	82469053	MKAIRVBKTPZAIC-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CCOCCN(C)[C@@H](CC)C(=O)NN	87979991	LXXYSAQVALOXNX-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](CN(C)CC(=O)N1CCCC1)C(=O)NN	104104875	SBTRMHXSBZLONG-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)c1cn(CCN2CCCCC2)nn1	110919204	GZAHCGAFHVSROV-UHFFFAOYSA-N	238.295	-0.633	50	10	BBGE	
C[C@H](CCNC(=O)NN(C)C)C(=O)O	149148738	WBFRHYCHLVTUBR-ZCFIWIBFSA-N	203.242	-0.127	50	10	BBGE	
COC[C@@H](O)CN(C)C[C@H](O)CCl	157978662	IOBURJYVIXSVSY-SFYZADRCSA-N	211.689	-0.475	50	10	BBGE	
O=c1ccn(Cc2ccc(F)cc2B(O)O)cc1	203149104	XSHSCPBTPBHKAY-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C[C@@H](C)C(=O)NN	216472911	BZUFJQRVAXXRAG-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CNC(=O)CCN(C)C(=O)NC(=O)CCCl	234330238	AULRVWFEMVRRTR-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CO[C@]1(C)CCCN([C@H](C)C(=O)NN)C1	300237706	CZCKTTYIBCBMOZ-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
Nc1nc(C(=O)NCC(Cl)Cl)n[nH]1	306355877	SIQWTSKKURHVDM-UHFFFAOYSA-N	224.051	-0.080	50	10	BBGE	
CNC(=O)C[C@@H](C)NC(=O)NC(=O)CCl	322942133	PTFBDWGEQANPOU-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCCC[C@@H]2O1	379026529	CXAQMTJTQUKUJO-CIUDSAMLSA-N	241.291	-0.560	50	10	BBGE	
O=C(CCCCl)NCCn1ncnn1	379765736	HZPZSRSVYMHXNE-UHFFFAOYSA-N	217.660	-0.192	50	10	BBGE	
C[C@@H](CN1CCC[C@]12CCOC2)C(=O)NN	381408332	SBPBDEFNYCWKSJ-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O	382180729	OFSDOLJGODLRGI-NGJRWZKOSA-N	228.248	-0.543	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C/C=C\CCl)C1	389218383	LRLHBKZLIGZSLR-JKERVTFKSA-N	218.684	-0.297	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1OC	396033668	QSKZWTCJCQGUCV-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
CC[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	396899072	LARLTGSJCKFEDX-ZJUUUORDSA-N	227.044	-0.724	50	10	BBGE	
CNC(=O)[C@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	398472481	GWMNSBIMYWGNAJ-DTWKUNHWSA-N	242.323	-0.931	50	10	BBGE	
CO[C@@H](CCNC(=O)NN(C)C)C(=O)O	401512789	IQEGWHXCRUBORJ-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
CCNC(=O)NCc1cccc(B(O)O)c1	405091539	UDNZVTIKQIGJMS-UHFFFAOYSA-N	222.053	-0.815	50	10	BBGE	
C[C-]1NC#CN(C[C@H](O)CCl)C1=O	642853351	HEIQSUODKVSAGV-SSDOTTSWSA-N	201.633	-0.512	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C(=O)O1	688531828	YFCKNWBNGLTTOT-SSDOTTSWSA-N	215.253	-0.013	50	10	BBGE	
Cn1ccnc1COc1cccc(B(O)O)c1	690882003	TYOLBPBTHTZUGE-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CN1CC(CN(C)[C@H](C(=O)NN)C(C)(C)C)C1	692719009	JNHDDTKKSHLGJS-SNVBAGLBSA-N	242.367	-0.116	50	10	BBGE	
Cc1cn(Cc2ccccc2B(O)O)c(O)n1	699565985	QECRGGDJNUGGMU-UHFFFAOYSA-N	232.048	-0.375	50	10	BBGE	
CNNC(=O)c1cnc(OC)c(OC)c1	702125354	JWCZKQMHKKSHIT-UHFFFAOYSA-N	211.221	-0.037	50	10	BBGE	
CN(N)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	704634940	JAUTVYOLTPBOMY-YFKPBYRVSA-N	239.197	-0.271	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](O)CC[C@H]1C	713753731	DZPGWAYYNSKNGH-IMSYWVGJSA-N	229.324	-0.154	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)C[C@H](C)CCl	718218360	OPHUTMGMOFQGRX-SFYZADRCSA-N	239.724	-0.225	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(CCC(=O)NN)C1	721780258	YMKMYPLLMZFCNH-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723698249	WZIAOGQSMUDKLU-YTWAJWBKSA-N	240.351	-0.221	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC12CC(O)C2	724990817	OWPUDFHKVUWYTL-GJLSRIOBSA-N	237.255	-0.184	50	10	BBGE	
CN1CC[C@H](C(=O)NNc2ncccn2)C1	729518090	CYCSAEDGVKEYJZ-QMMMGPOBSA-N	221.264	-0.129	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H]1CCO[C@H]1C	770573377	XWDXCPYXHLDPKI-BQBZGAKWSA-N	231.321	-0.073	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H](O)C1CCC1	825481631	PSSIJWCWKAROOU-MRVPVSSYSA-N	229.280	-0.114	50	10	BBGE	
C[C@@H]1CCN1C(=O)NNC(=O)c1cn[nH]c1	883737369	ALPHQPRSKKUCBW-ZCFIWIBFSA-N	223.236	-0.142	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(C)C1=O	910144452	IOTUQENUFZIHEI-DTWKUNHWSA-N	243.307	-0.801	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CC1CC1	1159627690	QGXRLUZXURNPER-RQJHMYQMSA-N	225.248	-0.945	50	10	BBGE	
CC1CN(Cc2c(F)cccc2B(O)O)C1	1232754571	IXOUCWAHMAAEST-UHFFFAOYSA-N	223.056	-0.043	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccn2nnnc12	1292131540	VELVXEROPRTESO-UHFFFAOYSA-N	249.234	-0.912	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cn(C)nn1	1329350144	CKRVHZGKWPNBAG-LURJTMIESA-N	236.235	-0.874	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccc(O)c(O)c1	1583198712	ZGDCQZKCIKMSAX-UHFFFAOYSA-N	239.231	-0.400	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H]1C(F)F)c1cnn[nH]1	1585332492	SWECKQWFAGAQQO-IMJSIDKUSA-N	245.189	-0.533	50	10	BBGE	
CC(=O)NNC(=O)CCCCC(N)=O	1628978817	SXEBVJKCIDGWER-UHFFFAOYSA-N	201.226	-0.801	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1cn[nH]c1	1635306482	QJRXWGMIBCWFCP-UHFFFAOYSA-N	225.208	-0.529	50	10	BBGE	
CCc1cc(C(=O)NNc2nc[nH]n2)n(C)n1	1641623637	AIOCJLWMEBJWSM-UHFFFAOYSA-N	235.251	-0.143	50	10	BBGE	
Nc1nccnc1C(=O)NN=c1cc[nH]cc1F	1641780991	SKWUFHBFCXULKZ-UHFFFAOYSA-N	248.221	-0.228	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN[C@H](CO)C1CC1	1642624408	CWEVFSUFLDMEAK-SECBINFHSA-N	243.307	-0.850	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2[C@H](C(N)=O)[C@@H]2C1	1877848624	KGTVUHLCGHKOJF-YTLHQDLWSA-N	216.668	-0.197	50	10	BBGE	
CNS(=O)(=O)NCCSSCCN	1882324692	ZVCSQDOTNTZJLJ-UHFFFAOYSA-N	245.395	-0.620	50	10	BBGE	
C[C@H](Cl)CC(=O)NCC[C@@H](O)CO	1882383247	LJWPJEAMUXBGMR-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
O=C(CCl)NCC[C@H]1CCNC1=O	1883493344	DRYGCNYBXJIVSQ-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
CC1(C)CNC(=O)CN1C[C@@H](O)CCl	1884705462	VOILITQOXVYHCT-ZETCQYMHSA-N	220.700	-0.204	50	10	BBGE	
NNC(=O)Cn1cnc(C(F)(F)F)c1	1886119296	ZNKNJUOXKSKJGS-UHFFFAOYSA-N	208.143	-0.108	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2[C@H](C1)CS2(=O)=O	1887063146	RCISUVXNSIRVFH-GJMOJQLCSA-N	234.708	-0.154	50	10	BBGE	
O=C1CCN1S(=O)(=O)CCOCCCl	1889187935	PAJQVNSNYKJJSC-UHFFFAOYSA-N	241.696	-0.196	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1[C@@H]2CNC[C@@H]21	1893410422	JKSNZGLXWNNUFR-GJVVYLMISA-N	214.652	-0.358	50	10	BBGE	
O=C(NCCC(CO)CO)[C@@H]1C[C@H]1Cl	1893462135	WESWDZNBQDHKHJ-HTQZYQBOSA-N	221.684	-0.279	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1CO	1897987141	LNSYXECARSXDIQ-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](O)[C@@H]1C	1901767090	ZLHIWRPZODMHSQ-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
O=c1sccn1CCN1CC[C@@H](B(O)O)C1	1902527702	BJNXPTHEWZXVSZ-MRVPVSSYSA-N	242.109	-0.542	50	10	BBGE	
CC[C@](C)(CSc1nc(=N)[nH][nH]1)C(=O)NN	1902707974	FOGYFHFSPABSAF-MRVPVSSYSA-N	244.324	-0.284	50	10	BBGE	
CC[C@](C)(CN1[C@@H]2COC[C@H]1C2)C(=O)NN	1902716628	VKGPNSTVMOHFRQ-WCABBAIRSA-N	227.308	-0.134	50	10	BBGE	
C=C1COCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	1904706649	VGXCRWDAVLLUSL-IUCAKERBSA-N	225.053	-0.736	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)NN	1911289761	ZQPZULBEQSEFJV-IVZWLZJFSA-N	241.335	-0.437	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCCCC(=O)NN	1914253810	COKWEMCLRXEHEI-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](CC#N)C1	1915022268	GQZQKNGKQMJCEC-IUCAKERBSA-N	226.280	-0.773	50	10	BBGE	
N#C[C@H](Cl)CN(CCO)C1COC1	1915534026	ACWVCPANFZQBHP-ZETCQYMHSA-N	204.657	-0.190	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](F)[C@@H](F)C1	1927812237	HIEWDUGNWYWCEQ-WHFBIAKZSA-N	229.177	-0.397	50	10	BBGE	
O=C(Cn1cnnn1)N1CC(CCl)C1	1928696319	MFYDJTOOGIZVDB-UHFFFAOYSA-N	215.644	-0.630	50	10	BBGE	
CS(=O)(=O)N[C@H]1COC[C@H]1CCl	1928749384	SKICEDQFHSDOEA-RITPCOANSA-N	213.686	-0.211	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)OCCl)C1	1928758331	PLMSRRQECYYYBF-RITPCOANSA-N	208.645	-0.416	50	10	BBGE	
C[C@@]1(NC(=O)C(=O)NN)CCC(F)(F)C1	1929105971	LVWALZGGGDCXNT-SSDOTTSWSA-N	221.207	-0.330	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC(F)(F)CO	1931080513	JTHHBGABEIPGPZ-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1931260299	JUCKZBISFITIKF-SECBINFHSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)CN1CCOC[C@H](C2CC2)C1	1932448247	KNOAVVAXXJQPIT-SECBINFHSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936091748	OCEAZXMDYFBVBD-RNKKAQLWSA-N	247.364	-0.689	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)[C@H]1C	1936094259	LPIGAACAMGKFPF-XGEHTFHBSA-N	225.292	-0.273	50	10	BBGE	
C[C@@H]1COCCCN1C[C@H]1C[C@@H]1C(=O)NN	1936094367	MNLNAYHJGVFYIZ-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
COCCN(C)Cc1cncc(C(=O)NN)c1	1940582269	PKBBDCDAXFYXML-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
COC1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941084704	ZNKXKLTYQLFESK-QONHTCSSSA-N	241.335	-0.031	50	10	BBGE	
CC1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)C1	1941087983	ODIGSUIKUJJESE-JGVFFNPUSA-N	239.275	-0.603	50	10	BBGE	
CCCN(CCOCC(=O)NN)CC(C)(C)O	1941780357	OTWYSIMAQLUHIY-UHFFFAOYSA-N	247.339	-0.524	50	10	BBGE	
CCCN(CCOCC(=O)NN)[C@H]1CCOC1	1941784531	QBSKRTPGSUDUKU-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2CC[C@@]1(CO)C2	1942115887	QHSBHEIKHUXEOV-WYFGTUCQSA-N	239.319	-0.541	50	10	BBGE	
O=C(CN1CC[C@H]1CO)NNc1ccccn1	1944087237	COGNLTOMHYOPAS-VIFPVBQESA-N	236.275	-0.409	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCCC[C@H]1OCC2	1944195111	PGOYTWLOBUOLFD-LDYMZIIASA-N	241.291	-0.558	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cocn1	1944196132	CMAFDBDYDDYYHK-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCCC[C@H]1O	1945883181	VFEOYRRYNBFCEP-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
N#Cc1cccn(CC2(C(=O)NN)CC2)c1=O	1945914769	JGMSXBLKUWTPKM-UHFFFAOYSA-N	232.243	-0.510	50	10	BBGE	
NC(=O)[C@H](C1CC1)N1[C@H]2CC[C@H]1C(=O)OC2=O	1947318502	KACXBZXZCNRTPX-FXQIFTODSA-N	238.243	-0.833	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCC[C@H]1C(F)F	1951321754	FMCLDHXNKJDXDF-PHDIDXHHSA-N	221.012	-0.204	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@@H](C)Cl)C1	1955609719	XQBNMPJVJJZIAI-RXMQYKEDSA-N	220.656	-0.674	50	10	BBGE	
CC1(C)C(=O)NCCN1C[C@H](O)CCl	1956256253	LKAKPEZMNKMLNH-SSDOTTSWSA-N	220.700	-0.204	50	10	BBGE	
CO[C@H](CCO)CNS(=O)(=O)CCCl	1956646375	GYVACMOBWSQXED-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1CC(=O)NN	1956957149	JVASNGGKGJJWBC-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)C[C@@H](C)Cl	1957318859	QESCMCNURGFYGP-RITPCOANSA-N	242.728	-0.203	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H]2N)CC1	1957822525	PTKCEFWDFREONL-JGVFFNPUSA-N	209.249	-0.789	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F	1957875566	QGODRENBHYIMIT-JRTVQGFMSA-N	215.228	-0.771	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1959720507	NBHAIAVBUGSTQB-KZVJFYERSA-N	213.281	-0.933	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]1C	1961718754	SRTUWORRSHHMGB-QMMMGPOBSA-N	206.054	-0.332	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cccc(B(O)O)c1	1973854399	QGVODOHRDNCMOJ-JTQLQIEISA-N	231.060	-0.328	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)[C@@H]1CCCO1	1981394484	YPEXGMGARKMWPV-BQBZGAKWSA-N	231.252	-0.606	50	10	BBGE	
Cc1ncnc(Sc2ncco2)c1B(O)O	1981466237	VSFHXAHLQFYGRB-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
CN(CC1CC1)c1ncc(B(O)O)cc1F	1981468389	BBWSKLYKSGLVCG-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@H]1C(F)F	1982684965	LKZVEEQQPBQZTD-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1984192954	JRGNJFZJXGIGOK-AXTSPUMRSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)N2CCOC[C@@H]2C1	1986928921	DBLFEZOAIRJLPJ-SFYZADRCSA-N	246.694	-0.317	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CNCCOC1	1991705714	IEONMDIHNBJDMG-CMLYIYFCSA-N	246.694	-0.340	50	10	BBGE	
C=C(CN1CCS(=O)(=O)[C@@H](C)[C@H]1C)B(O)O	1992145920	OUOOHGHKXSGMAL-BDAKNGLRSA-N	247.125	-0.938	50	10	BBGE	
Oc1nnc(CN=c2[nH]nc(CCCl)o2)o1	1993407996	XBTIAOMIKCAPHF-UHFFFAOYSA-N	245.626	-0.027	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)C2(CCC2)C1	2000816019	ZEZGMAVYSWGPRY-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)C1(CF)CCC1	2001683928	XCYJVNQXLGGCQM-LURJTMIESA-N	247.031	-0.832	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOCC2(CC2)C1	2004239112	YIXORDJZGLSOAV-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
C[C@@H]1CCCCCN1c1ncc(B(O)O)cn1	2004910929	AJCUIKOKNQKVHA-SECBINFHSA-N	235.096	-0.075	50	10	BBGE	
Cc1ncnc(N(C2CC2)C2CC2)c1B(O)O	2004972386	FCVNOALRHDDERC-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
Cc1cc(C(N)=O)ccc1O[C@@H](C)C(=O)NN	2007701267	SRBBASVXWPDWNW-ZETCQYMHSA-N	237.259	-0.149	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2cnccc2=O)C1	2010833356	QXEISUJZWBCDRV-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@@H]1C1CC1	2014003436	ZAFYCGOCPQVHPC-UISBYWKRSA-N	241.335	-0.010	50	10	BBGE	
C[C@]1(F)CCN(c2ncc(F)cc2B(O)O)C1	2014928995	MDVBVAOOFODLRQ-JTQLQIEISA-N	242.034	-0.161	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC[C@H]3C[C@H]32)nc1	2016497065	NTZLIGSRWWCSRO-OYNCUSHFSA-N	234.064	-0.419	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC([N+](=O)[O-])C1	2016888973	LEVALABTYUGXLW-UHFFFAOYSA-N	240.219	-0.656	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CCCCO1	2020061860	LOYDRCKBSFCRFY-NXEZZACHSA-N	239.080	-0.228	50	10	BBGE	
COC[C@H](O[C@H]1COC2(CCC2)C1)C(=O)NN	2020644905	BFQBKRCXHYMXAH-BDAKNGLRSA-N	244.291	-0.281	50	10	BBGE	
C=C(CN1C[C@]2(C)CN(C)C[C@@]2(C)C1)B(O)O	2021162406	GKANOMIBPRRHPU-RYUDHWBXSA-N	238.140	-0.172	50	10	BBGE	
COC[C@]12C[C@](N3CC(=O)OC(=O)C3)(CO1)C2	2025542092	DYISSCLEBAJCCK-XYPYZODXSA-N	241.243	-0.680	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@@H]1C(N)=O	2028922737	QWGMMVNYPNQXFZ-NXEZZACHSA-N	248.286	-0.723	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CN3CCN2CC3)CC1	2038237530	AHXLTRNUFIWGLY-GFCCVEGCSA-N	246.314	-0.332	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@H]2C1	2052473249	VFRXFRGSJPLHRB-ATZCPNFKSA-N	247.107	-0.219	50	10	BBGE	
Cc1nc(N(C)C[C@@H](C)C2CC2)ncc1B(O)O	2052552814	YJHDTQOKIDAVCZ-MRVPVSSYSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N2CC[C@H]3CCC[C@H]32)ncc1B(O)O	2052553493	IHBGUFVESGTSKL-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccncc2=O)cn1	2056638305	WDGDSXLENCEESP-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
C=CCNC(=O)NCCc1cccc(B(O)O)c1	2058065448	JUKWHVIGYGJTDP-UHFFFAOYSA-N	248.091	-0.606	50	10	BBGE	
Cc1cccnc1Cn1cccc(B(O)O)c1=O	2058155722	OOYQEAGKMRJEEF-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=Cc1cc(F)cc(Cl)c1B(O)O	2060110467	RWRZOJJYWRHNAA-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CCOc1ccc(B(O)O)c(C#N)c1C=O	2060176656	MDTZZEOWEUYSMQ-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1cc(C#N)c(C)c(B(O)O)c1	2060204458	AZVQRPIVSNGOQD-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1cccc(C)c1NC(=O)C(=O)NN	2211236394	TUITYRUBNHAWET-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccc(=O)cc1	2211839706	YBCXZMJLQHGNTC-WPRPVWTQSA-N	221.260	-0.136	50	10	BBGE	
CN1CCC[C@H]1COC[C@H]1C[C@@H]1C(=O)NN	2211862300	TUUSTQDOVNRUSM-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC1=C(C)CN(c2ccc(B(O)O)cn2)C1	2212604355	OOZYSIYHSCEOIB-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC#CCCN=c1[nH]ccc(B(O)O)c1F	2212605716	JDXWVNVBJNCRDT-UHFFFAOYSA-N	222.028	-0.852	50	10	BBGE	
C=CC[C@@H]1CCN1c1ccc(B(O)O)cn1	2212612575	MDSCSWVGADFYTJ-SNVBAGLBSA-N	218.065	-0.084	50	10	BBGE	
C=CCCCCn1cc(B(O)O)cnc1=O	2212716143	XNICRQJRPLRPMP-UHFFFAOYSA-N	222.053	-0.721	50	10	BBGE	
C[C@H](CN(C)c1ccc(=O)n(C)c1)C(=O)NN	2213163665	AAGHQKUGDZLPRP-MRVPVSSYSA-N	238.291	-0.553	50	10	BBGE	
N#CC[C@H]1CCN(c2ncccc2B(O)O)C1	2217178915	CGCLPWUQWXTYFP-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCC1=O	2220057869	JLAOUQLSDGJUME-SNVBAGLBSA-N	247.103	-0.223	50	10	BBGE	
CNC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2220063306	KZXNJEQJLOTLSN-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccc(NC2C[C@@H]3CC[C@H](C2)O3)nc1	2223639263	QJQJTWDMPUVXHN-FGWVZKOKSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccc(OC2([C@H]3CCNC3)CC2)nc1	2223654079	LWZCKXDHFFPIEO-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
CN1CCCC[C@H](Nc2ncccc2B(O)O)C1	2223666355	LMCMGQQJDMGPNQ-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
COC[C@H](SC[C@@H](C)OC)C(=O)NN	2241561145	ZGYXEBCRLFGLIV-RQJHMYQMSA-N	222.310	-0.241	50	10	BBGE	
O=C(NCc1csnn1)C1(B(O)O)CCC1	2243346996	GITVYMXFFGQVOJ-UHFFFAOYSA-N	241.081	-0.449	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F	2243349737	PWJWOHVHXUMRFK-RYPBNFRJSA-N	225.028	-0.745	50	10	BBGE	
Cc1c(N)cccc1NC(=O)C#CB(O)O	2243357042	QIOQVYFDULCODW-UHFFFAOYSA-N	218.021	-0.469	50	10	BBGE	
C[S@@](=O)C1(CNC(=O)C2(B(O)O)CC2)CC1	2243359380	RXYNDOYHWWEYBT-MRXNPFEDSA-N	245.109	-0.979	50	10	BBGE	
CC1CC(CO)(NC(=O)C2(B(O)O)CC2)C1	2243365508	NNTRYXYBLKIXIP-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
Cc1sc(C(=O)NN(C)C)c(B(O)O)c1C	2243376020	CIOGZHKUCNABHZ-UHFFFAOYSA-N	242.109	-0.749	50	10	BBGE	
CC(C)CCNC(=O)c1csnc1B(O)O	2243378144	NHWDJJPGNZAUDO-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)COC	2243380998	BTKFMUUISQBEQU-HRDYMLBCSA-N	229.085	-0.362	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CN1	2243390796	BMNWKDVLTBAQLK-BIIVOSGPSA-N	226.085	-0.894	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243392069	QZPUQIVWDWKCSX-FXQIFTODSA-N	227.069	-0.779	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396325	KTGWVIIZEYIHNK-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
O=C(C#CB(O)O)NCC1(CC2CC2)CC1	2243399791	QLMGFAFGBPTQJA-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)C[C@H](C)O1	2243401013	LAYQQDBLEWFXIQ-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccsc1B(O)O	2243408139	HXJAPGYFPMUGHP-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
COC[C@H](CF)NC(=O)C1CC(B(O)O)C1	2243414389	ZUVRFUCVZUDISI-RRQHEKLDSA-N	233.048	-0.660	50	10	BBGE	
C[C@@H](CC(=O)O)NC(=O)C1CC(B(O)O)C1	2243758991	PDEUVAOJLOFFMG-VTSJMVTISA-N	229.041	-0.781	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2COC[C@H]1C2	2244501649	IIFCYAMAODQHEV-KZVJFYERSA-N	225.053	-0.903	50	10	BBGE	
CCOC1(C(=O)NCCC#CB(O)O)CC1	2244549793	IOGYRVZOVVFNMW-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247753950	BGACACLHPGZXJS-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
CC(C)[C@H](N)CCN(C)C(=O)C1(B(O)O)CC1	2247757089	VFOMFGYZIFCFNX-SECBINFHSA-N	242.128	-0.175	50	10	BBGE	
O=C(N1CC[C@]2(CCNC2)C1)C1(B(O)O)CC1	2247758910	XNLRFLWFTKEKNR-JTQLQIEISA-N	238.096	-0.795	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2247776163	VBPXPJYFHAOORE-YUMQZZPRSA-N	234.064	-0.853	50	10	BBGE	
C#CC#CCNC(=O)c1scc(B(O)O)c1C	2247786198	XMCAJTWJIGAJSI-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
C[C@H](CO)CCCNC(=O)C1CC(B(O)O)C1	2247797641	LRJBECWZOSENHE-IDKOKCKLSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CC2)C[C@H]1CO	2247797827	NHVQEMNFZZYNCC-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNC(=O)C1CC(B(O)O)C1	2247804509	GZXKISPCURBJQE-WOOKNIGNSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN2CCC[C@H]2C1	2247806420	NAGWLRAWFBYVCS-IVZWLZJFSA-N	238.096	-0.844	50	10	BBGE	
O=C1[C@@H]2[C@H](CN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2(F)F	2247806948	PEEDJWNELPTAEQ-VANKVMQKSA-N	244.990	-0.901	50	10	BBGE	
C[C@H]1OCCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247808563	VIGLYILPQTVQRK-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
Cc1ncccc1[C@H](C)NC(=O)C#CB(O)O	2247847367	WGPRLTYKXJWWFK-VIFPVBQESA-N	232.048	-0.417	50	10	BBGE	
NCC[C@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2247847736	AZDJZBVATYNGLR-ZJUUUORDSA-N	238.096	-0.974	50	10	BBGE	
CC(C)OC[C@@H]1CCCN1C(=O)C#CB(O)O	2247851263	XLMJETKGBGWCOE-JTQLQIEISA-N	239.080	-0.582	50	10	BBGE	
O=C(Nc1nccs1)c1ccncc1B(O)O	2247854951	LFDZPICEKRTOAF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCCN1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247855460	SOCOKFHMGKNICU-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ncccc1B(O)O	2247869495	SQHAAZKWSUEBLI-MRVPVSSYSA-N	236.080	-0.464	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1n[nH]cc1B(O)O	2247887563	PIVHYQKLULGEIQ-JTQLQIEISA-N	237.068	-0.896	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C(C)(C)CC(=O)O	2248587991	XQAUJRKQQDHJKW-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1C[C@@H]1C	2248970363	RZNNODFUKSHMIV-RCOVLWMOSA-N	234.064	-0.792	50	10	BBGE	
O=C(NCCn1cccc1)c1coc(B(O)O)c1	2255456059	JDIQBLGRUDZGRE-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)o1)C(C)(C)C	2255469964	WWDGNOTXQTWRAI-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]1C1CC1	2255680748	NJIIOEPGJNBCJH-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255711178	VTFORUUFDRORGA-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]3C[C@H]32)c1	2255730964	XOTSHODWXZKNDT-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
C[C@H]1COCCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298164950	SPXWSIVSQZXLBQ-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2298369367	RTHWQQORZAKWPR-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@H](C(=O)NN)O2)C1	2299036259	WQTYMIMUHQBKMD-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1CCOCC(=O)NN	2299330264	AWMYXLGZCQMZBR-ZJUUUORDSA-N	243.307	-0.996	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCNC1	2301341175	MFVSMWLAJRNAFO-SNVBAGLBSA-N	231.064	-0.988	50	10	BBGE	
O=Cc1ccc(NC2[C@H]3CC[C@H]23)cc1B(O)O	2301452386	GYWOBCSLEFFGRU-UWVGGRQHSA-N	231.060	-0.001	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	2302049923	LZMXHAXLPOHHCP-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@H]2CCCCNC2=O)C1	2303098806	HFDYPEJYABJOCT-ONGXEEELSA-N	240.112	-0.406	50	10	BBGE	
COc1ccc(CN2CC[C@@H](B(O)O)C2)nn1	2303099926	TZVKDUYNIXTLSU-MRVPVSSYSA-N	237.068	-0.466	50	10	BBGE	
CCCn1cnnc1CN1CC[C@@H](B(O)O)C1	2303106925	VKLQBKFLSYEPJN-SECBINFHSA-N	238.100	-0.263	50	10	BBGE	
CC[C@](C)(COCCn1cncn1)C(=O)NN	2303421263	NAEHBLPNLPTMCM-SNVBAGLBSA-N	241.295	-0.299	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H](C)C(=O)NC)C(=O)NN	2303427365	XRLPYFFXDJFBLF-GZMMTYOYSA-N	244.339	-0.541	50	10	BBGE	
C[C@@H](CCN)N(C)c1cc(B(O)O)c(F)cn1	2303847024	BINNZCORQXYLNX-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313171225	UFLRYQHNTZVWES-AXFHLTTASA-N	247.103	-0.036	50	10	BBGE	
Cc1cc(C)n(-c2ccc(C=O)c(B(O)O)c2)n1	2317307506	BJIIYWDJEWMRFZ-UHFFFAOYSA-N	244.059	-0.019	50	10	BBGE	
CC(C)C[C@H](C)N(C)C(=O)C(=O)NN	42597252	VDNKRCCJJHFNGT-ZETCQYMHSA-N	201.270	-0.131	50	10	BBGE	
Cc1nn(C(=O)N[C@@H](C)CCl)c(=O)n1N	82300020	NKGRXRPKYJROAD-BYPYZUCNSA-N	233.659	-0.748	50	10	BBGE	
CCCN1CCN([C@H](C)C(=O)NN)CC1	82465981	YJSFBBQONCKWFI-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCCS1	87686317	SNEDUDCVJUWJEU-LURJTMIESA-N	217.294	-0.622	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)no2)CCO1	110569816	YPHWNULHZVXPDP-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CN1CC(=O)N(C[C@H](Cl)C#N)CC1=O	132601263	FJZDXTCRPLOPDB-ZCFIWIBFSA-N	215.640	-0.582	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@@H](O)CCl)cnc21	163069067	FCFFEIUOZXAIRU-LURJTMIESA-N	242.666	-0.270	50	10	BBGE	
CC(=O)C1=C(O)/C(=C(\C)N)C(=O)OC1=O	169320200	YENPYSHJLUBZLI-HYXAFXHYSA-N	211.173	-0.296	50	10	BBGE	
COC[C@H](SCC[C@H](C)N)C(=O)NN	232421700	HYRQYNZQMRQGLN-BQBZGAKWSA-N	221.326	-0.538	50	10	BBGE	
C[C@@H](Br)C(=O)NOCC(N)=O	235062674	XLOOYSATMCSWGT-GSVOUGTGSA-N	225.042	-0.697	50	10	BBGE	
NC[C@H](CBr)S(=O)(=O)O	238805484	BRRGREODGQGZPL-VKHMYHEASA-N	218.072	-0.404	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	248509170	YREYOKDNQNXCRH-BZQIZSTOSA-N	224.260	-0.582	50	10	BBGE	
N#CCNC(=O)C(=O)NCC(Cl)Cl	308130863	DSJHBVFVHZWMDH-UHFFFAOYSA-N	224.047	-0.454	50	10	BBGE	
NNC(=O)C(=O)NCCCn1cc(Cl)cn1	309221269	YATMFVBGRYNZAO-UHFFFAOYSA-N	245.670	-0.967	50	10	BBGE	
Cn1ncc(COc2ccccc2B(O)O)n1	310175627	VKUSXPXZVDACQM-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
COC(=O)[C@H](N=[N+]=[N-])C(C)=NNC(N)=O	383688372	RLSURDBFBRLMDL-SCSAIBSYSA-N	214.185	-0.118	50	10	BBGE	
Cc1cn(Cc2ccc(B(O)O)cc2)ccc1=O	386418965	ZCJJRTREBGSPEV-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CC/N=C(/NCC)SCC(=O)NNC(C)=O	395525261	BVGUTNIUWNJKGC-UHFFFAOYSA-N	246.336	-0.128	50	10	BBGE	
CCOC(=O)CCc1cc(C#N)cc(B(O)O)c1	396097491	IRYBYEWKOWXAOE-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(S)c1	396141583	QJOTVNVJFURADS-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
N#CCCc1cc(/C=C\C(=O)O)cc(B(O)O)c1	396144259	YLBPMNQBMVYGHM-ARJAWSKDSA-N	245.043	-0.080	50	10	BBGE	
Nc1cc2ccsc2c(CO)c1B(O)O	396239569	GJWOLKWUQIDMHS-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCCOC1)C(=O)NN	401601638	DZFIHUYRQFMPEU-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCSCC1	403767320	IAXWSCBPZLFCOU-SECBINFHSA-N	247.364	-0.181	50	10	BBGE	
CC(C)C(=O)NCc1ccc(B(O)O)s1	405033745	QAECSGUNFQQVGA-UHFFFAOYSA-N	227.094	-0.300	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCC[C@H]1O	689815685	KLYHIXTYAAOIMJ-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(N)n[nH]2)CC1	692106489	HXXLCABMTBZXOF-UHFFFAOYSA-N	235.247	-0.517	50	10	BBGE	
Cn1c(O)nnc1CNS(=O)(=O)CCl	692238883	GYLFPKIHKLZBHZ-UHFFFAOYSA-N	240.672	-0.864	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC[S@](C)=O	695114223	ZDROBUCJWXUYAQ-FVMDXXJSSA-N	249.380	-0.299	50	10	BBGE	
CCCc1noc(CCC(=O)NNC(N)=O)n1	700876017	BPQXZYLFRDVSEM-UHFFFAOYSA-N	241.251	-0.346	50	10	BBGE	
C[C@H](CN1C[C@H]2CN(C)C[C@@]2(C)C1)C(=O)NN	702405242	LFEDFVXVLADMIX-FOGDFJRCSA-N	240.351	-0.504	50	10	BBGE	
CC[C@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	710208948	HDOJADQXNWETAN-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
COCCN(C(=O)NN)C1CCOCC1	716483992	VSMWCRUUEPYBSU-UHFFFAOYSA-N	217.269	-0.303	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]12	717086616	DFTKVVQEANAECK-BIIVOSGPSA-N	211.265	-0.471	50	10	BBGE	
C[C@H]1C=NC(CNS(=O)(=O)CCl)=N1	725597532	DLSRLRAWVOUFCQ-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
CCn1cc(S(=O)(=O)N=C=O)nn1	885859480	LHCDGWRHQJFNAD-UHFFFAOYSA-N	202.195	-0.678	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)c1cnnn1C	888082222	VSCPSLNACATNEM-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNc2cnccn2)C1=O	907477318	OAYDLQSZUDVSEP-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
CCc1cc(CC(=O)NNC(C)=O)n(C)n1	929183024	RFAVSISOVQFXHN-UHFFFAOYSA-N	224.264	-0.308	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNc2ccncn2)CN1	1449882522	XEMXKQIWNLLIRG-SSDOTTSWSA-N	235.247	-0.554	50	10	BBGE	
CCN(CCO)NC(=O)c1ccc(O)cn1	1452334316	ORIRRBXEYYTFHU-UHFFFAOYSA-N	225.248	-0.254	50	10	BBGE	
COc1nccnc1NNC(=O)CCC(N)=O	1469071993	PRKVYKMPFVAKES-UHFFFAOYSA-N	239.235	-0.806	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)C[C@@H](C)O	1556926226	KSIJRSABQYSKMJ-RKDXNWHRSA-N	215.297	-0.576	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CC1(F)F	1626812811	KDJPMZBHQRIBCV-BYPYZUCNSA-N	207.180	-0.008	50	10	BBGE	
CCN(CCO)NC(=O)[C@H](C)CCN(C)C	1639037400	ISCJRNOWSWRLRW-SNVBAGLBSA-N	231.340	-0.080	50	10	BBGE	
N=C(CNC(=O)[C@H]1C[C@H]1Br)NO	1881353763	MUKVIFBDJTUXBO-IUYQGCFVSA-N	236.069	-0.158	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1883639598	NPQHBQNCPCVZDR-VPENINKCSA-N	206.629	-0.858	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)C1CNC1	1883648058	VFIQYUCGMCIJLA-NSCUHMNNSA-N	202.641	-0.262	50	10	BBGE	
Cc1nn[nH]c1CNS(=O)(=O)CCCl	1886794447	RGSRAXVTIYPBFF-UHFFFAOYSA-N	238.700	-0.229	50	10	BBGE	
NNC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	1888384887	FDDHVIMBGXFEOT-VWDOSNQTSA-N	203.217	-0.495	50	10	BBGE	
NNC(=O)N1CC(N2CCSCC2)C1	1888658306	BSPSUYRNGYDCSG-UHFFFAOYSA-N	216.310	-0.697	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@@H](O)C[C@H](O)C1	1893460761	IWKOIEPXUCLWQH-RULNZFCNSA-N	219.668	-0.432	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1893461584	QKEPPSXUPQDPKW-XUTVFYLZSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)/C=C/C(=O)Cl	1893505581	XGBAAXVRIUWFIF-SRGUAZEISA-N	221.640	-0.834	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2COCC[C@@H]21	1896906678	GLCKQCFXTMQLAQ-KXUCPTDWSA-N	227.308	-0.278	50	10	BBGE	
CN1CCC[C@H]2CCN(CC(=O)NN)C[C@@H]21	1899573621	GGWLBNYBDZSGOT-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
O=C1CN(C[C@]23COC[C@H]2C3(F)F)CC(=O)O1	1906060242	BVUQWQYPIVRPCG-MUWHJKNJSA-N	247.197	-0.347	50	10	BBGE	
CC[C@H]1CCN([C@@H](C)C(=O)NN)CCO1	1913634560	LRLLDVWZTOOXAU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1ccccc1CN1CCOCC12CC2	1915579442	MRPBLPBCEKXEHK-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
C=C[C@@H](NNC(=O)C(F)(F)F)C(=O)OC	1923409265	NQSCQCTZJGFHRH-SCSAIBSYSA-N	226.154	-0.103	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]2C1	1927920231	UZFIDIVEAZPQQV-QCLAVDOMSA-N	209.293	-0.046	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CCC[C@@H]1Cl	1928695534	CVPOEBSJLNAYHJ-BQBZGAKWSA-N	229.671	-0.051	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC(=O)CCCCl)C1	1928757948	KPYNTQVCKADZMM-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@]1(C)CO	1932968532	YCYKTDIWIYVZKZ-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H]1CCCN(CCC(=O)NN)[C@H]1C	1934287089	NXBATFSXZLBFKR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC(F)(F)C1	1934793518	VOBGVAZPEMMZMI-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](O)[C@H](F)C1	1936089707	DQLVJUYUZBFDCB-KDXUFGMBSA-N	231.271	-0.983	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@H]1COCCCO1	1939100565	JNYGSFDMLYXUQX-ZCFIWIBFSA-N	240.206	-0.609	50	10	BBGE	
CC(C)(CN1C[C@@H](CO)C2(CC2)C1)C(=O)NN	1940645110	OVZQFEWLLLLDED-VIFPVBQESA-N	241.335	-0.293	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941074039	OPWJREWDELHUHJ-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnco1	1944182332	SZVWWCMWUNNWSZ-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CC(=O)Nc1ccc(C(=O)NNCCO)cc1	1944211451	KVQGBGMXEWFXED-UHFFFAOYSA-N	237.259	-0.128	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H](CO)[C@H]2C1	1944549001	SWPFADCRJOZYGU-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944741929	QCANFDLQIOUZLD-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1CCNC1=O	1954822959	XVMJSGBBXBIOQY-RNFRBKRXSA-N	206.673	-0.594	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)CC[C@@H]1O	1956255668	BXVHFJUEVRPVRL-YIZRAAEISA-N	223.700	-0.739	50	10	BBGE	
O=S(=O)(CCl)NCC[C@@H]1COC[C@@H]1O	1956481394	HRONGAYSDXKZPN-RQJHMYQMSA-N	243.712	-0.501	50	10	BBGE	
CC(C)[C@H](O)CN(C)CCCC(=O)NN	1960662556	HNHCRAGLKAGNMT-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CSCCN(C)c1ccc(B(O)O)cn1	1961692794	WEJWHFFKBJYLHE-UHFFFAOYSA-N	226.110	-0.439	50	10	BBGE	
O=C([C@H]1CCCOC1)N1CCC(B(O)O)CC1	1964499891	DCWWBNACILGXNZ-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CN1CCCC[C@H](N2CC(=O)OC(=O)C2)C1	1976024928	CIEBHHYDGQZUCD-VIFPVBQESA-N	226.276	-0.144	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cn(C)cn1	1976740143	UIFJDVNGYFWFID-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
CON([C@H]1CCOC1)[C@H](C)CCC(=O)NN	1978750913	QVNDWBXJDFQGAR-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@@H]21	1981409685	QAOJQSAUMFBGDL-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
C[C@@H]1CSCCN1c1ncncc1B(O)O	1981416078	LLYKDCMSSJYXAG-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(C)(C)C)n1	1981422356	NQCUHRAVYWBJAV-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CCCF)n1	1981445383	HQISJDWKPIVECZ-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1981998204	ZNGMPLFPZBQRDV-DKXJUACHSA-N	231.246	-0.048	50	10	BBGE	
NNC(=O)C1(CN2CC=CC[C@H]2CO)CC1	1983181786	RLPZXDYQDYCYQF-VIFPVBQESA-N	225.292	-0.621	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCC1CCC1	1984102764	WSGGJPNWTRQQSX-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
Cc1nc(N2CC[C@H]2CF)ccc1B(O)O	1986085223	TYBPGVGJUZDWHF-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
COC12CC(C1)N(C[C@H]1C[C@H]1C(=O)NN)C2	1986826827	LXYQGDGCNCRUSL-DLMHNBQMSA-N	225.292	-0.524	50	10	BBGE	
Cc1nnc2ccc(CNC(=O)NN)cn12	1987609934	RYVBUWRSQPYGHB-UHFFFAOYSA-N	220.236	-0.289	50	10	BBGE	
CN(C[C@@]12CC[C@@H](CO1)C2)C(=O)C(=O)NN	1989936302	OWTHIOLSTYZYJV-XCBNKYQSSA-N	227.264	-0.996	50	10	BBGE	
CC1(C)C[C@H](C(F)F)CN1C(=O)C(=O)NN	1989963921	IWWCJGVEPJWJAI-YFKPBYRVSA-N	235.234	-0.132	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CCF)C1	1990776018	DVMNUKQRQDPRQF-SECBINFHSA-N	231.271	-0.165	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC([C@@H](F)CO)CC1	1999598402	CYFLSDRCQLJXGM-UWVGGRQHSA-N	247.314	-0.203	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477497	KCUQFHNLUIKQIA-GZBOUJLJSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H](C)N(C)c1nc(C)ccc1B(O)O	2005015045	VGLHWDFRSFETDT-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CC(=O)N(C)C1	2014824261	LRUIZMIVAQODLM-DJLDLDEBSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1cnc(OCC2CC3(CC3)C2)nc1	2017334796	MQGFOLRDEIDSDM-UHFFFAOYSA-N	234.064	-0.275	50	10	BBGE	
O=C(C[C@@H]1CCC[C@@H]2C[C@@H]12)NCC#CB(O)O	2021110133	PBYRGAUCRAWHEF-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
CC(C)OC1CN(Cc2ccccc2B(O)O)C1	2040865941	FGFGBTRKBWNWCX-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
Cc1nc(CN(C)c2ccc(B(O)O)cn2)co1	2052468263	AWLUQYYJFRZNJV-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](N2CCC2)C1	2052490338	BGESXMOYDJVVCY-SNVBAGLBSA-N	247.107	-0.954	50	10	BBGE	
O=Cc1c(B(O)O)cc(Cl)cc1[N+](=O)[O-]	2060133589	FIARLFLIOXQNKZ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
N#Cc1cc(F)c([N+](=O)[O-])cc1B(O)O	2060169011	ANTIEVZGHKWDMD-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
COCc1ccccc1Cn1ccc(B(O)O)n1	2071398964	BZNPXCBMULIWSV-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
Cn1nccc1NC(=O)c1ccccc1B(O)O	2079008525	KQKSYBYJHTYBRD-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2079519338	NLWUVNDBSIYIJO-BDAKNGLRSA-N	249.079	-0.613	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1COC1COC1	2209907192	SDWVZYJHORIKCM-SVRRBLITSA-N	200.238	-0.582	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(F)C1	2210011065	ZKYPGWBAFJWWDU-FJXKBIBVSA-N	201.245	-0.201	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H](CO)C1	2211838579	IUCYWVHKYFEFQF-UTLUCORTSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)N(C)C[C@H]1C	2212071553	RYGKZIFTXCKAKV-IVZWLZJFSA-N	228.340	-0.221	50	10	BBGE	
CCC1(CNc2ncc(B(O)O)cn2)CC1	2212602779	JSLVZSBLIQRSFP-UHFFFAOYSA-N	221.069	-0.242	50	10	BBGE	
CCON(CC)c1nccc(B(O)O)c1F	2212604038	LFZDSMNPYPASTB-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H](C)F)cc1B(O)O	2212604053	LLALFXXGUNPIBP-QMMMGPOBSA-N	226.060	-0.348	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1cc(B(O)O)ccn1	2212612243	IUYJJCDVTOBBGX-CBAPKCEASA-N	224.044	-0.302	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@H](CCC[C@H]2O)C1	2213404950	JLECKOJKFZCKQY-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
C[C@@](O)(CNc1ccc(B(O)O)cn1)C1CC1	2217177765	MYMUZELFBVWMSC-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
C[C@H]1NCC[C@H]1Nc1nccc(B(O)O)c1F	2217183919	LNUXCGZXPVYYOL-HTRCEHHLSA-N	239.059	-0.937	50	10	BBGE	
N[C@@H](COc1cc(B(O)O)ccn1)C(F)(F)F	2217187524	ZZSMAKLHPWPGHA-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
CCC[C@](C)(N)COc1cc(B(O)O)ccn1	2217189642	GZVLMSBVXLLRGL-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
COC[C@@H](Nc1cc(B(O)O)ccn1)C1CC1	2217198947	IJIABKQXKGOZRA-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](O)[C@H](CC)Nc1cc(B(O)O)ccn1	2217198988	IYKXLUAIVZAKJG-UWVGGRQHSA-N	238.096	-0.277	50	10	BBGE	
C[C@]1(Nc2ncccc2B(O)O)CCCNC1	2217201331	XPDHKAFZGRJENH-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
N#C[C@H]1CN(Cc2cccc(B(O)O)c2)CCO1	2220058120	KBRMBYHFRITAHT-LBPRGKRZSA-N	246.075	-0.909	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCC[C@@H]1O	2220071416	HNSPCFXFAJOCNT-STQMWFEESA-N	249.119	-0.288	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)C[C@@H]1CN	2223634872	PQXPRKBUNFQXMV-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@H]3CC[C@@H]32)nc1	2223641717	CTXKPCCESXKTNF-GARJFASQSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(NCc2cnn(C)c2)cc1B(O)O	2223642565	KYGNLWFSHVSESJ-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
Cc1cnc(N2CC[C@H](C)[C@@H](N)C2)cc1B(O)O	2223651247	BGLKBTGMXPMGNX-KWQFWETISA-N	249.123	-0.757	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@@]21COc1cc(B(O)O)ccn1	2223652206	CTPCRXCUPNOZTG-MKPLZMMCSA-N	248.091	-0.732	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)[C@H](CN)C1	2223665211	DQYJQJCRXWJTPC-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cnn(C)c1	2223676105	WIDLRBRTZYSOLI-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
CS(C)(=O)=NS(=O)(=O)N1CC(Cl)C1	2241354290	VQBVJEYUFUOYSW-UHFFFAOYSA-N	246.741	-0.118	50	10	BBGE	
O=C(NC1CCCC1)c1nscc1B(O)O	2243347629	OTZFTAWAMIFPSB-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
O=C(NCC1(F)CC1)c1nscc1B(O)O	2243348196	VCUWPTHSBNSARV-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@H]1C1CCC1	2243356835	NMXYGXUATJBCOR-ZJUUUORDSA-N	221.065	-0.303	50	10	BBGE	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)C#CB(O)O)C1	2243357405	WJZCHPIFBOUBCW-MYJAWHEDSA-N	223.081	-0.057	50	10	BBGE	
C[C@H](Cc1cccs1)NC(=O)C#CB(O)O	2243361619	DPPXILZSKKQZRI-MRVPVSSYSA-N	237.089	-0.189	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CO)C1(B(O)O)CCC1	2243365408	MCZOSYUOXJPXSX-JGVFFNPUSA-N	227.069	-0.872	50	10	BBGE	
CN(CCCCCO)C(=O)C1(B(O)O)CC1	2243366017	WDQJBSIKGWYGSL-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
C=C1CN(C(=O)c2sc(C)cc2B(O)O)C1	2243380925	AOTFXYHEJYRPBB-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
C=C=CCCNC(=O)c1sncc1B(O)O	2243385802	OOACVJWCSDNXIW-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
CCC1(O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243404473	OTGAHPAJRMUGPB-ZKCHVHJHSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cscc1B(O)O	2243410381	AJRKTHPWMRISFQ-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
C=CC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2243684521	AZLVEQURUZUPSQ-QMMMGPOBSA-N	219.049	-0.270	50	10	BBGE	
C=CCCC(=O)Nc1cccc(B(O)O)n1	2243685313	RLUATEYLBJQKHV-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1coc(B(O)O)c1	2244147076	OWZWMLNNRGXRHK-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1cc(B(O)O)co1	2244211967	KQJXJSNQLGSSKB-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
CP(C)(=O)C1CN(C(=O)C2(B(O)O)CC2)C1	2244273404	GDAXLWJQPJPCPB-UHFFFAOYSA-N	245.024	-0.173	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](C1)[C@H]2O	2244331835	BMHPYQLFLBQMCG-DOFRTFSJSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]1C2	2244496913	GONCVORKNWJYFY-AEJSXWLSSA-N	227.308	-0.278	50	10	BBGE	
O=S(=O)(NCCC#CB(O)O)C1CC=CC1	2244537289	QVJSSRASFGLPJC-UHFFFAOYSA-N	243.093	-0.970	50	10	BBGE	
CN1CC[C@@](C)(COC(F)(F)C(=O)NN)C1	2246302080	MVUZRAQXOOJPDV-MRVPVSSYSA-N	237.250	-0.073	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2247744249	PTFJGIAAFFWEFM-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@H]1CNCC12CC2)C1(B(O)O)CCC1	2247758415	ZFBAIPDJUKWXCD-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CCN1	2247758872	XJVIYRGJAHDRRF-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CON(C)C(=O)c1cc(C)c(B(O)O)c(C)c1	2247787768	UHUAAFKUKWSBAQ-UHFFFAOYSA-N	237.064	-0.383	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247788752	KMFGIEZYPXDZPA-ZETCQYMHSA-N	241.052	-0.967	50	10	BBGE	
CCN(CCN(C)C)C(=O)C1CC(B(O)O)C1	2247798782	XDRJZZBGUFBMJG-UHFFFAOYSA-N	242.128	-0.351	50	10	BBGE	
C=CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](C)COC	2247799122	ZVMVXAVNZVWETE-BBBLOLIVSA-N	241.096	-0.101	50	10	BBGE	
CCn1nccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247804553	HLUCBEVZHZCZCK-BDAKNGLRSA-N	237.068	-0.618	50	10	BBGE	
CC(C)(C)[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247804600	HWMDVMLBYSWGBT-SOCHQFKDSA-N	243.112	-0.237	50	10	BBGE	
O=C(NCCc1cn[nH]c1)C1CC(B(O)O)C1	2247806908	OWJSISPWBATDTO-UHFFFAOYSA-N	237.068	-0.679	50	10	BBGE	
CC1=CCN(C(=O)c2ncccc2B(O)O)C1	2247846351	FAJKVEPNKJTFNH-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@@H]1CCCOC1	2247851646	HTRGXJJXIKYTMY-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247894285	FEVVXKFJWAWXRO-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(CCC2)C1=O	2247899170	LAUNIHZEBTVLNG-YUMQZZPRSA-N	237.064	-0.222	50	10	BBGE	
CC=CC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248588352	BRKPCNCXDMEWKM-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
O=C(N1C[C@H]2C[C@]1(C(=O)O)C2)C1(B(O)O)CC1	2248589113	LWONZKCCTJQSCK-XGAOUMNUSA-N	239.036	-0.931	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cc(B(O)O)co1	2249415297	BXNRFKFAIGIVDY-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1cc(B(O)O)co1	2249419711	KOYSDDYWNWFCAM-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1cocc1B(O)O	2249441364	XEQMCNIDPFCVBC-XCBNKYQSSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CNCC12CC2	2249968879	AFRMUASAQNLIKO-QMMMGPOBSA-N	238.096	-0.796	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CCC1	2250546390	SNPLOBXKSNJKHT-SCZZXKLOSA-N	245.323	-0.773	50	10	BBGE	
CCCNC[C@@H](C)Oc1ccc(B(O)O)cn1	2250573887	LWJZZWBFMSQDFN-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
N=c1cc(NC(=O)c2coc(B(O)O)c2)cc[nH]1	2255457945	LBRSRWMLHGLKAV-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CC#N)ccc1B(O)O	2255509729	OOVZRUAJMINXDK-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ncccc1B(O)O	2255516848	QLNNWSXSOFQDRK-LBPRGKRZSA-N	246.075	-0.707	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)c(OC)c1	2255554720	QBSLCDPLMYSJEY-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1ccc(B(O)O)o1	2255670594	GUFOCEAGSGSJDA-BRPSZJMVSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCCCC2)C1=O	2255671462	RIWCWFHCXXKLPH-UHFFFAOYSA-N	249.075	-0.289	50	10	BBGE	
CN(C)Cc1ccc(NC(=O)C#CB(O)O)cc1	2255674341	XUJNVUHBGVYDQK-UHFFFAOYSA-N	246.075	-0.298	50	10	BBGE	
O=C(NCC1CCCC1)c1ncccc1B(O)O	2255710888	QWWIROFQHILLIM-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1ncccc1B(O)O	2255716687	TXCHHJWENWPARH-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
CN(C(=O)c1nccnc1B(O)O)C1CCCC1	2256062406	WJYMUHCVAAMFGU-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@H](C)[C@@H]1C	2257494477	ZBNCUXXKYPKSDP-IUCAKERBSA-N	248.091	-0.450	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)co1	2258144208	VUFDKMQTRHPNAK-SNVBAGLBSA-N	247.059	-0.413	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)S(C)(=O)=O	2297013925	PXPXAIOGHOXDQQ-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CO	2298375462	KTLQIVFNIINUQW-QEYWKRMJSA-N	241.096	-0.674	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376791	OMNVAPWIMPVVBR-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
O=C1[C@H](F)CCN1Cc1cccc(B(O)O)c1	2301876254	JIYUWYSLOPKCFY-SNVBAGLBSA-N	237.039	-0.563	50	10	BBGE	
CC[C@@](C)(CN(C)C[C@@H](O)COC)C(=O)NN	2303420438	WOWMWHXQDXYLFX-KOLCDFICSA-N	247.339	-0.668	50	10	BBGE	
CC[C@](C)(O)CNc1cc(B(O)O)c(F)cn1	2303834638	JIKBAZFJPQCYOL-JTQLQIEISA-N	242.059	-0.527	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2306891426	BDORHFTYUDOKCP-VWYCJHECSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CC[C@H]1CN2	2315633414	MGSLBLDHQGXSHD-IQJOONFLSA-N	248.091	-0.719	50	10	BBGE	
CCOc1ccc(Cn2cc(B(O)O)cn2)cn1	2316119856	LDTSXBWREMVLHJ-UHFFFAOYSA-N	247.063	-0.595	50	10	BBGE	
CC1(C#N)CN(c2ccc(B(O)O)cc2C#N)C1	2317168508	VQPBFLRWCNKGNJ-UHFFFAOYSA-N	241.059	-0.412	50	10	BBGE	
CCC[C@@H](CN)Oc1ccc(B(O)O)cc1C#N	2317206415	NWHVZRSZRYFIQX-NSHDSACASA-N	248.091	-0.256	50	10	BBGE	
C=C1C[C@H]1C(=O)N(C)Cc1ccccc1B(O)O	2319329913	TZGXYOIYNZYAFK-LLVKDONJSA-N	245.087	-0.099	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](CO)C1	82465824	DLPRPZJCUAHZMI-VHSXEESVSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)CCCl	85087006	APYUIKXKCCYYDA-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
O=C1CNC(=O)[C@@H](CCBr)N1	96194018	NEPOFXZGOPOROF-SCSAIBSYSA-N	221.054	-0.614	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)[C@@H](N(C)C)C1	125721116	VBCBKHRFVKJVEM-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
NC(=S)NNC(=O)c1cncc(F)c1	160174189	SVAYQWWIXMKCAP-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)C(=O)NC1CC1	162630269	CKTGMVCKVCLHNG-YFKPBYRVSA-N	240.712	-0.231	50	10	BBGE	
Cc1ccc(NS(C)(=O)=O)c(C(=O)NN)c1	194511923	YPJMQLLTYLJCHF-UHFFFAOYSA-N	243.288	-0.030	50	10	BBGE	
CCOCC(=O)Nc1ccccc1B(O)O	204566167	NPWFFESREFCEHI-UHFFFAOYSA-N	223.037	-0.659	50	10	BBGE	
OB(O)c1cc(F)nc(C(F)(F)F)c1	206059611	XLLINGMQDWEGNC-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
Cn1ccc(COc2ccccc2B(O)O)n1	211851193	HDPMAZYHHJBZSU-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
COCCNC(=O)CNc1nnc(CCl)o1	234659863	VVHZSVWRJYVTFQ-UHFFFAOYSA-N	248.670	-0.017	50	10	BBGE	
COc1ccnc(NNC(=O)CCN)n1	237112288	ITWBQHDETHKZDS-UHFFFAOYSA-N	211.225	-0.723	50	10	BBGE	
CO[C@@]1(CN=C=O)CCS(=O)(=O)C1	257896988	VGKGBPAXFVAQJG-SSDOTTSWSA-N	205.235	-0.474	50	10	BBGE	
N#CC1=CN=C(CNC2CC2)S1(=O)=O	260133405	QUBBRUHYSMNDIO-UHFFFAOYSA-N	211.246	-0.070	50	10	BBGE	
CCCNC(=O)CSCC(=O)NN	300876801	RQLUVJLBXIPATI-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
Cn1cncc1CNC(=O)NC(=O)CCl	306672169	HEYQGBLUKPEQFN-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
CCOC(=O)[C@@H](N)C(=O)NCC(Cl)Cl	308560298	WXUCGLPPSMGCFL-YFKPBYRVSA-N	243.090	-0.203	50	10	BBGE	
CC(C)(O)CC(=NNC(N)=O)C(=O)O	379339929	CWHNNDBJWQEAOI-UHFFFAOYSA-N	203.198	-0.744	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@H]1C(N)=O	395602256	CSIYZTOVGQIIGR-YUMQZZPRSA-N	242.323	-0.659	50	10	BBGE	
CC(=O)Cc1cc(/C=C\C(=O)O)ccc1B(O)O	396141000	YHIJTJACAIBYDV-HYXAFXHYSA-N	248.043	-0.404	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H](C)S(N)(=O)=O	398246661	SROYJTDHLHYGIR-WHFBIAKZSA-N	228.701	-0.593	50	10	BBGE	
CC[S@@](=O)N[C@@H](C)c1ccc(B(O)O)cc1	404927605	PVLSMOHDYVZNTD-ZKANADHPSA-N	241.121	-0.299	50	10	BBGE	
O=C(CC1CCC1)Nc1cccc(B(O)O)n1	404929799	CFVJQWVXRJOZQA-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CCn1nccc1S(=O)(=O)NNC(=O)OC	495383042	XMJDMUYMPYYDJO-UHFFFAOYSA-N	248.264	-0.548	50	10	BBGE	
OCc1c(F)cc(B(O)O)cc1S	575704862	CMDIXUGRUPNAQD-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
BrC1=S=C(C2=C=N[C]=N2)NN1	642846235	WVGBNDZODJVVRW-UHFFFAOYSA-N	230.070	-0.088	50	10	BBGE	
COC[C@@H](C)OCC(F)(F)C(=O)NN	685956349	CKFFXSJMYVPMIK-RXMQYKEDSA-N	212.196	-0.337	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)[C@@H](C)C(=O)NN)CO1	688487147	KZEOWZAWBANMTI-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(=O)N(C)CC1	688935159	VVEGHABYKMSWOB-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CC[C@@](C)(N)C(=O)N1CCC(O)(C#N)CC1	692113652	MNKNEFYLGKQWFM-SNVBAGLBSA-N	225.292	-0.009	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCC(O)(C#N)CC1	692124783	WOQHTNCHEIGKNE-MRVPVSSYSA-N	243.288	-0.421	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@H]1N(C)C	693629716	KWTNCWHHYIFJSG-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
Cc1cccc(Cn2cc(B(O)O)cn2)c1	694501053	MBAVZFXUSSTQOZ-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
Cc1nn(C2CCN(C)CC2)c(C)c1B(O)O	697576806	OIVSMEFKFITDRR-UHFFFAOYSA-N	237.112	-0.554	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1CC(=O)NNc1ccccn1	702641043	DGTCORDMNUHGNL-NXEZZACHSA-N	249.318	-0.054	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)c1cn(C)cn1	710169604	VPZYSNCCSVJJFG-SFYZADRCSA-N	225.296	-0.209	50	10	BBGE	
CN(Cc1ncccn1)CC(C)(C)C(=O)NN	718911409	XNWFGQWBFPLNQK-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
C[C@H](O)C1CN(CCC(C)(C)C(=O)NN)C1	719811757	RKNSQEDDJQPMQW-QMMMGPOBSA-N	229.324	-0.295	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C	770711558	UASSHRGSNGNCPJ-YUMQZZPRSA-N	245.279	-0.612	50	10	BBGE	
CN(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(N)=O	781000370	BRGCJEGTHAVDTK-VIFPVBQESA-N	248.242	-0.367	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1CCC(C)(C)O1	787885974	GVBKPHMRKDWTJP-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
COC(=O)[C@@H]1CC[C@H](C(=O)NN(C)C2CC2)O1	862038223	YRJPFNLWSIRTII-BDAKNGLRSA-N	242.275	-0.168	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCN(C)C1=O	862501972	YPFXBQWWCZGWDA-VIFPVBQESA-N	248.286	-0.267	50	10	BBGE	
CN(NC(=O)c1ccc2c(c1)B(O)OC2)C1CC1	863885273	XSQQEFCTDPOLEN-UHFFFAOYSA-N	246.075	-0.357	50	10	BBGE	
C=C(CCN(C)C)C(=O)NNC(=O)N(C)C	900426927	COHKMPDABAIKAS-UHFFFAOYSA-N	228.296	-0.203	50	10	BBGE	
C[C@@H]1N[C@H]([N+](=O)[O-])CN1C[C@@H](O)CCl	1083805716	UERXILNOSKVFHF-DSYKOEDSSA-N	223.660	-0.560	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1ccc[nH]1	1463739591	XXXCFGXKOWOIIB-HYXAFXHYSA-N	223.232	-0.022	50	10	BBGE	
Cn1ccc(NNC(=O)CCc2nc[nH]n2)n1	1472556228	HSIKUEGXULTGIH-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
CC(=O)OCCN/C=C(/C#N)S(C)(=O)=O	1565518495	URWKFFSDYUTMIL-VURMDHGXSA-N	232.261	-0.451	50	10	BBGE	
CNCCCSC[C@H](C)C(=O)NN	1883305387	BGUTUUOPTPHJNG-ZETCQYMHSA-N	205.327	-0.045	50	10	BBGE	
NNC(=O)CCN1C[C@H](F)C[C@@H](F)C1	1885914782	GDOIAMQNGVUNHX-RNFRBKRXSA-N	207.224	-0.252	50	10	BBGE	
NNC(=O)CCCS[C@@H]1CC[C@H]1N	1887477676	BMYODHCXPUAHPL-RNFRBKRXSA-N	203.311	-0.021	50	10	BBGE	
Cc1scc(C(=O)N(C)O)c1B(O)O	1892457247	TTXLRHQIBUYCSS-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)C=CC(=O)Cl	1893404257	DAJHAVIYSNWVSG-YFKPBYRVSA-N	216.624	-0.606	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(CCN2)C1	1893409836	BCFPYVMZXQUPQD-UHFFFAOYSA-N	214.652	-0.118	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@@H]1CO	1893453465	NEUHYTSVKJVIGR-CWKFCGSDSA-N	219.668	-0.432	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1CN2CCC1CC2	1900892851	MUGPKYPJBPUZFI-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1[C@@H](N)C1(C)C	1901340226	ALFRRAUCHQVBKC-RNFRBKRXSA-N	249.336	-0.718	50	10	BBGE	
CN(NC(=O)CNC1CC1)S(=O)(=O)C1CC1	1901348287	FTYYVGDHSIIJBY-UHFFFAOYSA-N	247.320	-0.806	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C[C@@H]1C)C(=O)NN	1902716324	QRUBBRKPNHJWTH-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@](C)(CN1CC(F)(C#N)C1)C(=O)NN	1902716432	RXYFPMGJAROINU-SECBINFHSA-N	228.271	-0.060	50	10	BBGE	
C[C@H](C[C@@H]1CCOC1)n1ccc(B(O)O)n1	1905268333	ZBNUXLMUXKFOIW-BDAKNGLRSA-N	224.069	-0.450	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)CC1(C(=O)NN)CC1	1907704339	OAFZPCXEFIVQDI-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	1908365287	SRUMPORRMBCTNT-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@@H](C)C(=O)NN	1912238924	JRDZMRQGGZDQTE-SSDOTTSWSA-N	234.259	-0.346	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)C1COC1	1915660865	RQONGLQCMUGJMG-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
CON1CCN([C@H](C)CCC(=O)NN)CC1	1915710788	NEOFOSNXZJSLBW-SECBINFHSA-N	230.312	-0.676	50	10	BBGE	
CC[C@H](N=[S@@](C)(=O)CCOC)C(=O)NN	1918071671	HLXJDEHYKXAOND-ZIDLFYJRSA-N	237.325	-0.501	50	10	BBGE	
CC1(C)CCCO[C@@H]1Cn1ccc(B(O)O)n1	1923786647	ZXKFMZWFYFLZGJ-SECBINFHSA-N	238.096	-0.232	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](OCC(N)=O)C1	1928132742	MAUCMEFYHLHEIF-RQJHMYQMSA-N	234.683	-0.284	50	10	BBGE	
O=S(=O)(CCl)N[C@H](CO)CCCO	1928822558	ITPZGAGWZRQXQL-LURJTMIESA-N	231.701	-0.765	50	10	BBGE	
Cn1ncnc1S(=O)(=O)CCCl	1930281394	OHUHELONCRKNAV-UHFFFAOYSA-N	209.658	-0.172	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2CO1	1931599573	YTHULOXWZWECPM-JKUQZMGJSA-N	215.278	-0.724	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COCCC(=O)NN	1932229152	MHIIOSIQRMESIH-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](OC[C@H]1COCCCO1)C(=O)NN	1933318529	XUPIZTSHTKSRHM-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1COC[C@H]1Cl	1933393178	VAPQQNIZPUHZTP-NTSWFWBYSA-N	217.660	-0.702	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)C1	1934918036	QBIJAABOCJZYSK-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H](O)CC1	1935942506	RCIIHKIMGIGDTQ-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090598	IRJHAEVDQRSMOC-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H](C)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1936093156	BFXWTALOLYHULV-BBBLOLIVSA-N	229.324	-0.173	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1CCCC(=O)NN	1936357226	INEQGCARWVZRKA-UHFFFAOYSA-N	227.224	-0.130	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]1C1CCOCC1	1936638252	VINVPJKPPCNWBC-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1937055035	UPCRDIJGRMTTJW-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2OCC[C@@H]2C1	1938636687	PFQCXBDWXYIEBT-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(CCO2)C1	1938675051	MDMGMPWPUHMFGT-QMMMGPOBSA-N	235.234	-0.524	50	10	BBGE	
NNC(=O)COCCN1CCO[C@@H](C2CC2)C1	1941773035	RGGRVJXCBSPFMB-SNVBAGLBSA-N	243.307	-0.896	50	10	BBGE	
CCOC[C@@H]1CCCN1CCOCC(=O)NN	1941776664	TWLBDRXGQZDDPS-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)COCCN1CCO[C@@H]2CCC[C@H]21	1941783461	HHUIFPMXXWZYDH-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@H]1CO	1944080951	VQCHGWWMFOSWKQ-QWRGUYRKSA-N	235.287	-0.216	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(OCCO)C1	1946920801	HDFXZUXDCPQRAV-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NCC(Cl)Cl	1953765419	DSECDQVZGFFKHA-UCORVYFPSA-N	215.080	-0.386	50	10	BBGE	
CC[C@H](O[C@H]1CO[C@H](C)C1)C(=O)NN	1956931213	BQVAPFGYGDJDMB-PRJMDXOYSA-N	202.254	-0.051	50	10	BBGE	
Cn1cc(CCN[C@@H]2COC[C@@H]2Cl)nn1	1960021368	GRXYSYPUZNPYTK-DTWKUNHWSA-N	230.699	-0.047	50	10	BBGE	
C[C@H](N=[S@](C)(=O)N(C)C)[C@H](C)C(=O)NN	1960616210	CUGWKEHZDIHTFG-AKRFPOAQSA-N	236.341	-0.425	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C(=O)C2CC(Cl)C2)C1	1972294233	DWLVUBCDOZUBAU-QIMWKCOFSA-N	246.694	-0.548	50	10	BBGE	
CN(Cc1cocn1)C[C@@H]1C[C@@H]1C(=O)NN	1976732270	VBJJQBJPURQOGP-CBAPKCEASA-N	224.264	-0.268	50	10	BBGE	
CC(C)(C)OCC1CN(C(=O)C(=O)NN)C1	1979179079	GYPHXZMEXQFWAB-UHFFFAOYSA-N	229.280	-0.750	50	10	BBGE	
O=C(NNCCO)[C@H]1CC2(CCCC2)CO1	1979306943	NOXHMQRWDRIAOF-SECBINFHSA-N	228.292	-0.051	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1979919218	XFDKDFDWPGXSBN-CAWYRIKXSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1[C@H](C)C(=O)NN	1980857235	ZFIDQIJJGVHWMK-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CCCCN(CC)c1ncncc1B(O)O	1981414986	YTCABBACXKPTJW-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
CC[C@H](C)N(C)c1nc(C)ncc1B(O)O	1981468465	CCOIBOOAXYHKQN-ZETCQYMHSA-N	223.085	-0.300	50	10	BBGE	
Cc1cc(N2CC[C@H]3C[C@H]32)ncc1B(O)O	1981472373	PYZTZEIGVIMJMZ-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
C#CCCN(CCC)CC(=O)NNC(C)=O	1982984572	KFLRVKCOBHZZFI-UHFFFAOYSA-N	225.292	-0.111	50	10	BBGE	
COC[C@H](C)N(C)CCC(F)(F)C(=O)NN	1984130560	UYNHTYTYNYIHLW-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@H]1CF	1985769156	HDLCAXATBNGUMJ-SECBINFHSA-N	233.287	-0.183	50	10	BBGE	
CCO[C@@H](CNC(=O)C(=O)NN)C1CCC1	1987906371	ITEBZUCARLUTAT-QMMMGPOBSA-N	229.280	-0.702	50	10	BBGE	
Cc1cnn(-c2ncc(F)cc2B(O)O)c1	1988004366	RTWDLSUHDREGFB-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C#CCNC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	1988007588	MEHKKQGCNAAPAO-ZCFIWIBFSA-N	245.666	-0.811	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(F)(F)C1	1990772581	LBPKHOQOVZJGKD-ZCFIWIBFSA-N	235.234	-0.259	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC=CB(O)O	1991325961	BIAZCDFZAYAVAZ-RGOKHQFPSA-N	223.081	-0.037	50	10	BBGE	
CC[C@H](COC)CC(=O)NCC=CB(O)O	1991333673	UOXYPQRXURZYAX-VIFPVBQESA-N	229.085	-0.267	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)[C@@H]2C[C@H]2Cl)CC1	1991677338	KEDIVHXXZHPKOS-RNFRBKRXSA-N	246.694	-0.548	50	10	BBGE	
CC[C@H](O[C@@H]1CN2CCC1CC2)C(=O)NN	1992113582	LVGRTWOYBIBEPT-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
C=C(CN1CCC[C@H]1CCN(C)C)B(O)O	1992152424	FBILUGDBIOYRCI-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
C[C@@]1(CNC(=O)/C=C/C(=O)Cl)CCNC1=O	1993218524	STNBADPXKZRQNI-PBKGFPTLSA-N	244.678	-0.050	50	10	BBGE	
C[C@H]1C[C@H]1OCC12CC(C(=O)NN)(CO1)C2	1993882448	WBKBOOUBFCAOCU-IIPFWGKHSA-N	226.276	-0.050	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(B(O)O)cc1	1994688394	PLOHNHHZRAIJKI-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)C[C@H]2C)c1B(O)O	2004973695	YPBAMHKUTWIUMC-JGVFFNPUSA-N	235.096	-0.300	50	10	BBGE	
CON(CC(C)C)c1ncc(B(O)O)cc1F	2005013880	CDCOBELHHWJNGW-UHFFFAOYSA-N	242.059	-0.076	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CN=[N+]=[N-]	2009444348	FZEPMEJOACXHBN-MRVPVSSYSA-N	240.267	-0.072	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC[C@@H]2O)CC1	2014134596	USTLCTUEFYXATQ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C)OC(=O)N[C@H]1CCC=C1B(O)O	2020063135	WCNLWLQWKKBJID-CBAPKCEASA-N	243.068	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1COCC1(F)F	2020350025	DCWLEWWVDPESEE-BIIVOSGPSA-N	249.261	-0.422	50	10	BBGE	
CON(C[C@]12C[C@](C(=O)NN)(CO1)C2)C(C)C	2023852537	GSXWOVAZBQBNRX-XYPYZODXSA-N	243.307	-0.203	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@@H]1CO)c1ccccc1	2031686802	PPXBNRYRYJQLBZ-NEPJUHHUSA-N	249.314	-0.173	50	10	BBGE	
OB(O)c1ccccc1CN1CCOC2(CC2)C1	2049342023	PQSYOTMIUNHNND-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
Cc1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1B(O)O	2052554918	BNVPGNXFXYDEKD-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
COc1c(B(O)O)cnn1Cc1ccccc1	2059961333	QYGOCZOXURVVQF-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CCOc1ccc(B(O)O)c(OC)c1C#N	2060198171	FFGUTKASYVBYFZ-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OC[C@H]2CCC[C@@H]21	2210311937	AUYZXZUPLJNRCE-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC1(C)C=CCN1c1ncc(B(O)O)cn1	2212604624	YAOXCMAHLYIZFW-UHFFFAOYSA-N	219.053	-0.689	50	10	BBGE	
COC[C@H](COC[C@@H]1CC[C@@H]1C(=O)NN)OC	2215772181	MHHFSWLKMIHDQQ-AEJSXWLSSA-N	246.307	-0.320	50	10	BBGE	
CC1(Oc2ncccc2B(O)O)CCNCC1	2217166777	OVJWTSRPJJRSRE-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
N#C[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217195522	LCPKIHQMLNFHNT-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
CC(C)CN(CCO)c1ncccc1B(O)O	2217203433	VBAOGCCELVMKIA-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CC[C@H]2C)ncc1B(O)O	2220611375	DRSMQLKROZPUJT-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2223652314	ICHAPAGNPHDZHL-IANFPDNMSA-N	248.091	-0.810	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cncn1C	2223670804	CVZXKJPNDLTFLQ-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
C[C@H]1CC[C@H](CNc2ncccc2B(O)O)N1C	2223675097	PJZBJICSPPCMLE-VHSXEESVSA-N	249.123	-0.344	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)[C@H](O)CC1	2241589176	MIAWJKYJZFYDLK-OCAPTIKFSA-N	221.684	-0.041	50	10	BBGE	
O=C(NC1(CO)CCC1)C1(B(O)O)CCC1	2243346614	BKKFCWPXNINFOQ-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
CC=CCCNC(=O)c1nscc1B(O)O	2243347512	MWWZKPFWGZLLFN-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C=C(F)CN(C)C(=O)c1coc(B(O)O)c1	2243349319	JNCZMAUJKJSYAK-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)s1	2243349891	SCIYBPLOEADEKI-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
CS[C@H]1CCC[C@H]1N(C)C(=O)C#CB(O)O	2243357624	ZGKSFYLQNXSQFF-BDAKNGLRSA-N	241.121	-0.256	50	10	BBGE	
CCN(O)C(=O)c1c(B(O)O)sc(C)c1C	2243377853	ICNARQWJZCOJDY-UHFFFAOYSA-N	243.093	-0.104	50	10	BBGE	
CCOC[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382212	LWBDJJFXLUWQIG-HLTSFMKQSA-N	229.085	-0.219	50	10	BBGE	
Cn1cnc(NC(=O)C2CC(B(O)O)C2)n1	2243382512	OTWFIYCAVUHYCM-UHFFFAOYSA-N	224.029	-0.993	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2243398897	UXMQACCHZFJFNE-HTQZYQBOSA-N	227.069	-0.920	50	10	BBGE	
COC[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243404490	PBGXRQWZUIVBAY-CIUDSAMLSA-N	229.085	-0.362	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CCCCN1	2243407786	ZXKODNJJUQKQCE-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
O=C1CCCN1C(=O)c1ccsc1B(O)O	2243408793	VHLZSIFWCNKEJS-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CCC(C)C)B(O)O	2243412098	GKPMKQNDBVURJZ-UHFFFAOYSA-N	249.141	-0.138	50	10	BBGE	
CC(=O)NC(=O)c1cccc(Cl)c1B(O)O	2243510239	UWOLWPOMHPKKEL-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
CS[C@H](C)CNC(=O)c1cc(B(O)O)co1	2244213665	IDPNVKVWOQGGCN-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
C[C@@H](CO)N(C)c1cc(B(O)O)c(Cl)cn1	2245913298	PDRQURNGHSVVLX-LURJTMIESA-N	244.487	-0.768	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccc(B(O)O)o1	2245941333	LZPZLAYUCZFJRG-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)CN(C)C2	2246816859	DNKACYXHSBFSBB-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H](CO)C(C)(C)C	2247755428	PYSAIEJNJSVNHT-QMMMGPOBSA-N	243.112	-0.141	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)cn2)C1	2247768884	AIIVWBGLKABXJI-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cncc(B(O)O)c1	2247772298	SSWIBWCWUBQJKC-QMMMGPOBSA-N	234.064	-0.592	50	10	BBGE	
CCN(C(=O)c1cncc(B(O)O)c1)C(C)C	2247775964	SBDZWBFHCWGPAL-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
O=C(NCCOCC1CC1)[C@H]1C[C@@H](B(O)O)C1	2247787617	RFXJCMABUADCRU-AOOOYVTPSA-N	241.096	-0.218	50	10	BBGE	
CCCN(OC)C(=O)c1cc(C)c(B(O)O)o1	2247789294	SYSKAPVHDVASME-UHFFFAOYSA-N	241.052	-0.319	50	10	BBGE	
O=C(NC1CC2(CCNC2)C1)[C@@H]1C[C@H]1B(O)O	2247798241	RMWLXHQIQRKFFP-VCZAYRLQSA-N	238.096	-0.892	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2247800120	LIZODEOGNQPYDH-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
Cc1cccc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2247803391	AUVLUCYUGZPEBZ-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	2247806155	MHJUYOWHQGKKNE-ZOZBQHSOSA-N	239.080	-0.921	50	10	BBGE	
CC1(C)CCN[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247807402	HWNDKKLBZIIKTO-XHNCKOQMSA-N	240.112	-0.646	50	10	BBGE	
CCc1ocnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247808243	KIBIMXXKPLDGES-RNFRBKRXSA-N	238.052	-0.284	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H]2B(O)O)oc1C	2247808855	WKPMSTJGTNWRBR-JGVFFNPUSA-N	238.052	-0.229	50	10	BBGE	
COC[C@H]1CCCCN(C(=O)C#CB(O)O)C1	2247840961	CUNAAFNZPMNANT-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
CC(C)C[C@@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2247846840	NBFZWFUMSDVELW-SECBINFHSA-N	237.064	-0.577	50	10	BBGE	
C#CCN(C(=O)C#CB(O)O)C1CCCCC1	2247850605	QMDKSMOXZMPAKD-UHFFFAOYSA-N	233.076	-0.204	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1COC2)C1(B(O)O)CCC1	2247875320	VWLNLCANVLCWEJ-IUCAKERBSA-N	239.080	-0.227	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(C)c(B(O)O)o1	2247881022	PQLLDHZHOHJOTM-MRVPVSSYSA-N	235.048	-0.426	50	10	BBGE	
C[C@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893869	ZUUIMWCFGHRAHE-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C(Nc1nccc(F)n1)[C@H]1C[C@H](B(O)O)C1	2247894344	FVLXOFSTJXFFTC-IZLXSQMJSA-N	239.015	-0.193	50	10	BBGE	
CCc1ccc(O)c(NC(=O)C#CB(O)O)c1	2248586895	JAGKEDKJJCBVJN-UHFFFAOYSA-N	233.032	-0.092	50	10	BBGE	
O=C(NC[C@H]1C[C@H](C(=O)O)C1)C1(B(O)O)CC1	2248588403	CJBMWWHKPVMJBC-LJGSYFOKSA-N	241.052	-0.780	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248711393	OGFJDKBYDVSUFZ-FTYOSLGDSA-N	241.096	-0.219	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1(C)CC1	2248967997	HFUAIKRCZYTECY-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C1(C)C	2249851872	LAHITAKYXVWFSG-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1n[nH]cc1B(O)O	2250877536	GMXLLYYMNRRNBI-ZETCQYMHSA-N	237.068	-0.969	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2250978874	YEWUXASDFURURV-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3C[C@@H]3C2)n1	2254703989	JQZWICNXKAFXJI-DTWKUNHWSA-N	248.091	-0.384	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cc(B(O)O)oc1C	2255456705	RRNXZABDQVYVFL-MRVPVSSYSA-N	249.075	-0.343	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1coc(B(O)O)c1	2255458038	MBNAXHBWKDTNKB-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1cc(B(O)O)c[nH]1	2255462874	BCGMYWNWEVFEFJ-UHFFFAOYSA-N	246.075	-0.323	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3occc3B(O)O)[C@@H]1C2	2255487852	VXQNSGRWQNZRTG-QOSJWCAFSA-N	249.075	-0.122	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2CCC[C@@H]21	2255508114	IOBXAYYZGAEYSE-WPRPVWTQSA-N	248.091	-0.671	50	10	BBGE	
O=C(CCO)N1CCCc2cc(B(O)O)ccc21	2256674598	AGOHDHMRWQJFHN-UHFFFAOYSA-N	249.075	-0.972	50	10	BBGE	
CC[C@@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCCNC1	2298368718	UESXLJPHGDYYPH-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369834	GZNQSOSXLZWECG-IMSYWVGJSA-N	241.096	-0.221	50	10	BBGE	
CC[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCN1	2298377086	CZBJWHRYCXSCHH-YWVKMMECSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](COc1cccc(C(N)=O)c1)C(=O)NN	2301607818	ICVOXZMZICMFEZ-SSDOTTSWSA-N	237.259	-0.210	50	10	BBGE	
CN(C)[C@@H]1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	2302402779	BKHIKWPJQNAWBD-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CCC#CC(=O)Nc1ccc(B(O)O)c(F)c1	2302830143	ILHPIYQMMATFSO-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CCN(CCCO)c1ccc(B(O)O)cc1C#N	2317164195	WSORPTDYXLGZST-UHFFFAOYSA-N	248.091	-0.553	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cc2C#N)CCNC1	2317168568	WGDJVTWXPHTTIQ-LBPRGKRZSA-N	245.091	-0.598	50	10	BBGE	
CC(C)CC(=O)NN[C@@H]1CCS(=O)(=O)C1	5613825	CJNKMLSRKSGJEJ-MRVPVSSYSA-N	234.321	-0.160	50	10	BBGE	
Cc1csc(=O)n1CCCC(=O)NN	37388286	XLAXRBQIEXUADP-UHFFFAOYSA-N	215.278	-0.012	50	10	BBGE	
NC(=O)CCCNC(=O)NC(=O)CCl	37660800	SBZYPTRHMPXBGG-UHFFFAOYSA-N	221.644	-0.684	50	10	BBGE	
COCCS(=O)(=O)NCCBr	42809712	ZAVAUIFMQVXMER-UHFFFAOYSA-N	246.126	-0.053	50	10	BBGE	
NC(=S)NNC(=O)NC1CCCC1	42836790	AUONVDJCWCDTCZ-UHFFFAOYSA-N	202.283	-0.024	50	10	BBGE	
Cn1c(C(=O)NN)nc2cc(C(=O)O)ccc21	75848617	FAZXUTCSBAFNMQ-UHFFFAOYSA-N	234.215	-0.125	50	10	BBGE	
CC[C@@H](CCl)NC(=O)n1nc(C)n(N)c1=O	82311339	XFHRJMGDVNLHTO-LURJTMIESA-N	247.686	-0.358	50	10	BBGE	
CC(C)[C@@H](C)CC(=O)NNC(=O)CO	182758007	UZTSPOUPRPCYNA-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
CCOC(=O)N[C@H](NC(=O)NN)C(C)C	200030398	VNUILZUIVXAILP-LURJTMIESA-N	218.257	-0.113	50	10	BBGE	
OB(O)c1cncc(OCCc2ccccn2)c1	203524490	HTKRHLNDKMCYFL-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
COc1ccccc1[C@@H](NC(C)=O)B(O)O	219703626	NBDWXGOXKNVAMA-SNVBAGLBSA-N	223.037	-0.116	50	10	BBGE	
CCOC(=O)C[C@H](Cl)[C@@H](N)C(=O)O	238252565	AGINAYXZMPNOSE-UJURSFKZSA-N	209.629	-0.041	50	10	BBGE	
CCOC(=O)c1nc(Cl)ccc1B(O)O	238280026	PXRSIUIBLKYVJA-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
CNC(=O)/C(C#N)=C(\C=C\N(C)C)NC	238321123	HYCIYVXEZFJXTQ-HHWLVVFRSA-N	208.265	-0.195	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H](O)[C@H]2C1)C(=O)NN	252884926	XDYVXNWNVQOZLQ-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
CN1CCC[C@@H](CCNC(=O)NN)C1	258675828	DJDJRIIYJSJBAK-QMMMGPOBSA-N	200.286	-0.109	50	10	BBGE	
CCOC(=O)CC(=O)NNc1ncccn1	299570476	HUZHRWZEDLKNEO-UHFFFAOYSA-N	224.220	-0.127	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@H]1CCO	300020412	ONAJRWFDVAPTFE-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
N#C/C(=C/c1csnn1)S(N)(=O)=O	307516650	HHGJGGFTOWFAJB-KTAJNNJTSA-N	216.247	-0.309	50	10	BBGE	
CO[C@H](C)CN(C)[C@@H](C(=O)NN)C(C)C	308910402	WOINGZJUSXBKBF-RKDXNWHRSA-N	217.313	-0.032	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCCCO	384825173	QPEVFEXWYZYATL-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H]1CN(C(=O)NC(=O)[C@@H](C)Cl)CC(=O)N1	387020389	ORELLLYUJSOIOX-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
CC[C@H](C)ONC(=O)NNC(N)=S	388367360	WAALLKCAUGKDHE-BYPYZUCNSA-N	206.271	-0.236	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cccc(O)c1B(O)O	396025092	STICDMJNYULXDG-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
O=Cc1c(B(O)O)sc2ccc(CO)cc12	396332476	GJCZTPSQMHAICA-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CC(C)(C)C(=O)NN	399428730	QIPQFYHSOXQECI-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
COC(C)(C)CN(C)[C@H](C)C(=O)NN	404240048	CCTJWZCTIVTTMT-SSDOTTSWSA-N	203.286	-0.278	50	10	BBGE	
Cc1cnoc1C(=O)Nc1ccccc1B(O)O	404936634	FAJMAXONKSZOQT-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN1CC(=O)[C@H](C(=O)CCBr)C1=O	642881745	VPDSUTADFLDSKL-ZETCQYMHSA-N	248.076	-0.002	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(CCC(=O)NN)C1	687212447	IQDVJTHPGOKKAK-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCC[C@H]1O)C(=O)NN	689840767	IIBWWCSLVRTBLH-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)NNC(N)=S	689976732	PAKFOQDGAXLCPZ-RFZPGFLSSA-N	203.267	-0.724	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[C@@H]1N(C)C	693632512	YEQFYXBGJMJVPO-AXFHLTTASA-N	242.367	-0.116	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2CC1(CO)C2	694582623	GZYARUDHAUUIMF-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1COC2	695048785	LPSPNGIXZOMWOK-GUBZILKMSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](CN(C)Cc1ccnn1C)C(=O)NN	701667940	HVENTPIBICFSCL-MRVPVSSYSA-N	225.296	-0.522	50	10	BBGE	
CCC1CN(CCn2cc(C(=O)NN)nn2)C1	705073360	FIMHBAPBPPPLFU-UHFFFAOYSA-N	238.295	-0.777	50	10	BBGE	
CCOC[C@@H]1CN(CCC(=O)NN)CCO1	705880211	UQUJHAOYBOAHMM-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
COC[C@H]1CN(C[C@@H](O)CCl)CCO1	706574205	PQBQUKFXWMIKAL-DTWKUNHWSA-N	223.700	-0.067	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1COC[C@@H]1C	710920753	UZPWRLQKPLQHAB-LPEHRKFASA-N	229.324	-0.032	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	713155416	UQHWAEUYFAPKDU-BWZBUEFSSA-N	239.275	-0.950	50	10	BBGE	
CN1CCN=C1N1CCC(O)(C#N)CC1	821981854	ZWIKGHZJJMBZSE-UHFFFAOYSA-N	208.265	-0.362	50	10	BBGE	
COC/C(C)=C/C(=O)NNC(=O)[C@H]1CCCO1	846217638	GMWQKDVFAAYCAD-BNICOGTQSA-N	242.275	-0.095	50	10	BBGE	
C#CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1119960577	QDZJCJFQNRBMBQ-GJMOJQLCSA-N	208.217	-0.666	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H](F)[C@H](O)C1	1253455841	FQVSRUXJBPETPK-NTSWFWBYSA-N	231.676	-0.430	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cccc(B(O)O)c1	1294989292	QNURYCFJNLYPHQ-QMMMGPOBSA-N	219.049	-0.329	50	10	BBGE	
CN(NC(=O)c1ncccc1F)C(N)=O	1446328419	CCSDHSHUZZYWSY-UHFFFAOYSA-N	212.184	-0.124	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1ccncc1	1540409826	SJRIQLUYUCROTJ-QMMMGPOBSA-N	221.216	-0.611	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC=CC1	1570106169	FKBSDENLWUDNJB-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)(C)C	1628978823	SZRUBIXOENKUFM-MRVPVSSYSA-N	229.280	-0.296	50	10	BBGE	
O=C(NCCO)[C@H]1C[C@@H]1Br	1880107325	KHDBXJNANGXLOR-WHFBIAKZSA-N	208.055	-0.122	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1882906046	DAFRFVZQZJDNOJ-XVMARJQXSA-N	207.657	-0.432	50	10	BBGE	
NNC(=O)CCOCCN1CCCC1	1884749360	IHFAOGLHWNJLHL-UHFFFAOYSA-N	201.270	-0.521	50	10	BBGE	
COCC1(n2nnnc2CCl)COC1	1887895331	PHCXTOLLYJNBSA-UHFFFAOYSA-N	218.644	-0.216	50	10	BBGE	
CCOC(=O)NN(C)S(=O)(=O)CC	1888598346	FYVPQPYLKASOBJ-UHFFFAOYSA-N	210.255	-0.071	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCC1(CO)CO	1891564716	ZJOYKPZJKCLDSY-ZETCQYMHSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)N(C)C1=O	1893851531	MYPIFRXETOFTHQ-NKWVEPMBSA-N	214.269	-0.489	50	10	BBGE	
CCc1nnsc1CN1CC(=O)OC(=O)C1	1899684430	IGRCRVLHXBVLQJ-UHFFFAOYSA-N	241.272	-0.014	50	10	BBGE	
COCc1cc(F)c(B(O)O)c(F)c1	1902543145	IBCTVIVSRZSSCA-UHFFFAOYSA-N	201.965	-0.209	50	10	BBGE	
NNC(=O)CCn1cc2c(cc1=O)CCC2	1902581683	VDABIARGCDMBJU-UHFFFAOYSA-N	221.260	-0.283	50	10	BBGE	
CC(C)(O)CNc1cc(B(O)O)c(F)cn1	1903009998	KOGBVZJMPSDAJC-UHFFFAOYSA-N	228.032	-0.917	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1904707240	DPXFBQXESXKQOZ-UTLUCORTSA-N	228.340	-0.506	50	10	BBGE	
CN(CCCO)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909804285	FEGRMIBLRYBHSY-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CN1C(=O)[C@H](C)C[C@H]1C)C(=O)NN	1912243429	YVYMBVZVJQYEOW-BWZBUEFSSA-N	213.281	-0.131	50	10	BBGE	
COc1cc(OC)c([C@@H](N)B(O)O)c(OC)c1	1912278228	SWUQAJRREJSSEY-SNVBAGLBSA-N	241.052	-0.276	50	10	BBGE	
CN([C@H]1CCNC1=O)[C@@H](C(=O)NN)C(C)(C)C	1916212712	SMFHQKSRSMDFTD-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CCO)N(C)CCCC(=O)NN	1917043395	QHLTYJWTFYDKFF-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
Cc1cc(C(=O)NNCCO)sn1	1929838435	NFTPZFTUSYKSME-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
C[C@@H](CN)SCC1(C(=O)NN)CC1	1931267535	VSNQYDJSYVQPCM-LURJTMIESA-N	203.311	-0.163	50	10	BBGE	
COC[C@H](C(N)=O)N1C[C@@](C)(CCl)C1=O	1932162425	VUGGUTQGGFOPFI-HZGVNTEJSA-N	234.683	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC[C@H]1CCCO1	1935342834	CLEKCWJNAWHAAU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CON(C)C1CN(CCCCC(=O)NN)C1	1936110995	SNSNLKAXUNFAFQ-UHFFFAOYSA-N	230.312	-0.676	50	10	BBGE	
CCS[C@@H]1CCN(CCOCC(=O)NN)C1	1936529734	NQANTGPWSXOGHS-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CN(Cc1csnn1)C[C@H]1C[C@H]1C(=O)NN	1937716471	UKWVWASJBFXTET-HTRCEHHLSA-N	241.320	-0.404	50	10	BBGE	
CC(C)CN(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1939256443	TXKPIJKMNNBKRC-UWVGGRQHSA-N	229.324	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(CCOC2)C1	1941085440	LYPAXOOENRWAKV-FOGDFJRCSA-N	239.319	-0.275	50	10	BBGE	
Cc1ccc(CN(C)C[C@@H](C)C(=O)NN)nn1	1941971217	IMRXYFSQNHGMBS-MRVPVSSYSA-N	237.307	-0.157	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCN(C)CCC1	1947182924	HNWVXESXJZLKLE-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)CC12CCC2	1949821700	YAKKWZBJZHBBJL-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2[C@H]1C2(F)F	1975937925	AYCOBUSHUNRTDQ-ZLUOBGJFSA-N	233.218	-0.616	50	10	BBGE	
CCCOC[C@@H]1CCN(C(=O)C(=O)NN)C1	1976189151	VQDOGHAZEGNOPK-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1976640921	PWRXAORJYIBDBH-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@H]21	1978773151	AQDQOKQMDPNBCW-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)CCCCN1CC=CCS1(=O)=O	1979179649	QFOJBBXGGFXNSC-UHFFFAOYSA-N	247.320	-0.652	50	10	BBGE	
C[C@@H]1C[S@@](=O)CCN1CCCCC(=O)NN	1981192358	QTALXOGOCGKRHZ-ABKXIKBNSA-N	247.364	-0.401	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1	1981419945	CYRRXYHPDIMDKS-SSDOTTSWSA-N	243.455	-0.418	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCN(CC(N)=O)CC1	1982342731	FWDMVBWIFRLJPM-MRVPVSSYSA-N	247.726	-0.367	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(c2ccn(C)n2)C1	1990725507	LJEALNMINKMRJN-ZETCQYMHSA-N	223.280	-0.802	50	10	BBGE	
O=C(NC1CSC1)c1ccccc1B(O)O	1992836543	NQFBPUVMESHPIQ-UHFFFAOYSA-N	237.089	-0.788	50	10	BBGE	
CNCCSCC12CC(C(=O)NN)(CO1)C2	1993883891	NCFUSCXVJQWNKR-UHFFFAOYSA-N	245.348	-0.522	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@]12CC[C@@H]1C2	1996647328	KZLRCXNCQDFLFO-HQJQHLMTSA-N	232.048	-0.500	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)CCC(=O)NN)no1	1997753083	VQSVWUOJZISLOZ-ZETCQYMHSA-N	241.295	-0.032	50	10	BBGE	
CC1(C)CCCN(CCOCC(=O)NN)C1=O	2000738673	XCGXJITUIKQEJC-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@]1(CC)CO	2003263924	CPXDBWSCVSTISS-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCn1cncn1	2003825804	PCEKYKKGHMERNO-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)CC1(F)F	2004910894	AAPRUHBXLKCDGE-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1ccnc(N2CCCOCC2)c1B(O)O	2004917274	AIWSWWYAEFLIHR-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)[C@H](C)C2)n1	2005015261	YEBPITZBZATHNT-HTQZYQBOSA-N	235.096	-0.443	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1CC2(COC2)C1	2011121804	ZQDNNLXDVVKRCT-PSASIEDQSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(C1)CC(C)(O)C2	2011901065	RYVNDULTDWTLLR-DTWKUNHWSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](OC[C@H](C)N1CCOCC1)C(=O)NN	2013805216	YOLJNLBPHYGGFL-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCCCCC(=O)NN	2014277307	WGKHFCYZURVLCO-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H](CN(C)c1ccncc1B(O)O)OC	2014868131	WNEHNFAGOICJCQ-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
CC[C@H](COC)Oc1ncc(F)cc1B(O)O	2014930632	XIOODNDEPLTYKJ-MRVPVSSYSA-N	243.043	-0.296	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC12CCOCC2	2020057997	WNFYAFFOZVOCSA-VIFPVBQESA-N	239.080	-0.513	50	10	BBGE	
Cc1ncnc(O[C@@H]2CCC[C@@H]2F)c1B(O)O	2020493617	LISFLFOYCLZFMZ-JGVFFNPUSA-N	240.043	-0.266	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1ccnc(B(O)O)c1	2025664916	YWESECYKPHTDTP-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncncc3B(O)O)C[C@H]21	2025801318	QPUSNSIJDFZWGD-HLTSFMKQSA-N	233.080	-0.751	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C2(C)COC2)n1	2026726157	MFHJKZZOIIKRAU-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1CCCCC1	2040769235	PKUKFYAVQWICPF-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOc2ncccc21	2051510406	BEYHLYGHCYHIJX-DTWKUNHWSA-N	248.286	-0.094	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CC2CN(C)C2)n1	2052554101	PTPIVVGADLDVIK-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
COc1c(Cl)ccc(B(O)O)c1[N+](=O)[O-]	2060015741	ILADSBLXRVKELD-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=Cc1ccc(F)c(B(O)O)c1[N+](=O)[O-]	2060054828	GLPGPWLDWVWCGA-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCc1ccc(B(O)O)c(C#N)c1OC	2060260785	DPDWGZDHXVJATI-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
O=Cc1cc(OC(F)F)cc(F)c1B(O)O	2060262560	SYBYMMRWHUHOFK-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
Cc1ccc(OC[C@@H]2[C@H]3COC[C@H]32)c(B(O)O)c1	2068626042	DVWDTVWJSJNFKQ-URLYPYJESA-N	248.087	-0.054	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3COC[C@@H]32)c(B(O)O)c1	2077844657	NTZXWCUHYOOQAT-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC2CC(C2)C1	2079008505	KKBBJPBLGUUSHJ-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)c1ccccc1B(O)O	2079010383	ZJYBMLFKWFCFPU-KCJUWKMLSA-N	249.075	-0.869	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC2(CC2)C1	2079012214	QIVABIJVXNCYLR-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H](F)[C@H]1CCOC1	2212186736	KMXCJXDGWUEAKC-VGMNWLOBSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)C1(CN2CC(CCCO)C2)CC1	2212384391	SFJNDTAVLRIRRP-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
OB(O)c1ccnc(OCc2ccco2)c1	2212609840	YAOPADXXDQKYLU-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
CC[C@H](O)CCNc1cc(B(O)O)ccn1	2212610604	LRCSSRIRYADJAP-VIFPVBQESA-N	224.069	-0.666	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1ccc(B(O)O)cn1	2212612852	PMRKVNSOLNNGBF-HTQZYQBOSA-N	224.069	-0.810	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2213355496	LNSZVDXFMRRYQS-DNRKLUKYSA-N	241.335	-0.154	50	10	BBGE	
CC[C@H]1C[C@@H]1CCn1cc(B(O)O)ccc1=O	2215323479	DZROKUGGUSTWLG-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@]2(CO)C1	2215773919	UXQMAHLPGTWURE-DNRKLUKYSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@@H]2CC1=O	2215778291	YIUQBBJSSJJZCF-ZYUZMQFOSA-N	237.303	-0.129	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CCC2)C[C@H]1O	2216494709	DQHKNSGGPAQLGZ-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)C1CC(O)C1	2216881119	FCDAHBHXMMCSGG-UHFFFAOYSA-N	241.335	-0.008	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@H]1O	2217172720	LYCREZBRRQOUNX-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2217174625	WNRNOOMHFMKLKQ-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Oc1ccc(B(O)O)cn1	2217188369	NEJXNPJHIIWRJJ-DTWKUNHWSA-N	236.080	-0.734	50	10	BBGE	
CO[C@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1	2220063871	UQTOPCWFTGVHBB-NSHDSACASA-N	249.075	-0.886	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1Nc1ccc(B(O)O)cn1	2223643455	VXWKNJSMWPEDIK-ONGXEEELSA-N	249.123	-0.487	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1CNc1cc(B(O)O)ccn1	2223679238	MWXFIOIWYPFMTC-SCZZXKLOSA-N	249.123	-0.453	50	10	BBGE	
O=S(=O)(Nc1ncc[nH]1)N1CC(Cl)C1	2241354382	XFRAOVKBYQQSPI-UHFFFAOYSA-N	236.684	-0.011	50	10	BBGE	
COCc1c(F)cc(B(O)O)cc1F	2241911597	LPBLTCYFVWUACR-UHFFFAOYSA-N	201.965	-0.209	50	10	BBGE	
CO[C@H](CCl)CN=c1[nH]ncn1C	2242439614	KBUJCTQQQBXMFX-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1nscc1B(O)O	2243348297	WSEMOWYUYSMWTK-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1C[C@H]2CC[C@@H]2C1	2243350046	UTOREKXEUXYWLH-RKDXNWHRSA-N	221.065	-0.351	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1C1CCC1	2243356468	IFYOQVNEZFUUPB-SNVBAGLBSA-N	221.065	-0.207	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)sc2B(O)O)C1	2243378474	UEJSRWWPVGSVCW-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
NC1(CCCNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243391775	ODUPBHQWOQZDDZ-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2CCC[C@@H]21	2243400954	KCMYOLSONFXHHL-UWVGGRQHSA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1C(=O)C1(B(O)O)CC1	2243408252	JVYMCXLZHWDVMO-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ncsc1B(O)O	2243408402	MNBXTYUTHHASDS-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]2C[C@@H]2C1)B(O)O	2243414825	ITTFKCCWEPUBSB-DTWKUNHWSA-N	245.109	-0.774	50	10	BBGE	
O=C(NCCNC1CC1)[C@H]1C[C@@H](B(O)O)C1	2243417272	RTKSGXFUUUNZDC-OCAPTIKFSA-N	226.085	-0.892	50	10	BBGE	
CCNCCN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243426987	OLWNIYMXLNTKAX-DTWKUNHWSA-N	228.101	-0.693	50	10	BBGE	
C#CC(C)(C)N(C)S(=O)(=O)CC(=C)B(O)O	2243432559	BFYTWYWEELDLCL-UHFFFAOYSA-N	245.109	-0.772	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2247404779	XZMGIIPMVQVMKR-SRQGCSHVSA-N	237.303	-0.083	50	10	BBGE	
CN(Cc1ccncc1F)C(=O)C#CB(O)O	2247737720	IWTOIOBKKOGUCA-UHFFFAOYSA-N	236.011	-0.806	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1occc1B(O)O	2247754940	OCRYQIZLIACZRH-LKEWCRSYSA-N	235.048	-0.512	50	10	BBGE	
CN(C[C@H]1CCNC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792205	RBCNZSWQUTUSGT-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
CN(C[C@H]1CCOC1)C(=O)C1CC(B(O)O)C1	2247797926	OKYQFBBULRXECR-XNWIYYODSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CCO)C1CCCC1	2247800967	VOAORMCKYNBUIK-NXEZZACHSA-N	241.096	-0.387	50	10	BBGE	
CCCC1(NC(=O)C2CC(B(O)O)C2)CNC1	2247804346	GMPDOXLWICIHBB-UHFFFAOYSA-N	240.112	-0.502	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cncc(B(O)O)c1	2247868754	HXVASWKMENIWKA-MRVPVSSYSA-N	236.080	-0.368	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2247869659	WJJHCSCNMGPIDL-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CCCN(O)C(=O)c1cccc(C)c1B(O)O	2247873201	GOQOBMMPQXIQON-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
C[C@](CN)(NC(=O)C1(B(O)O)CCC1)C1CC1	2247879329	SRDLCSCPEOVIJJ-SNVBAGLBSA-N	240.112	-0.373	50	10	BBGE	
CCN(CCN(C)C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247896114	XDRJZZBGUFBMJG-MGCOHNPYSA-N	242.128	-0.351	50	10	BBGE	
CC[C@]1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247900181	USINMKNRPQDLSZ-FTYOSLGDSA-N	241.096	-0.077	50	10	BBGE	
CC(C)(F)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248579922	UCPOSKAOKJYQDH-KVQBGUIXSA-N	247.031	-0.833	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248584760	AZWVMDSDKNGVJG-BRDIYROLSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2248586985	KGGGAKQBQWERKN-XLPZGREQSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)[C@H]1C(=O)O	2248590026	YESDYPICZDIZHB-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CC1COC1	2248987004	LCVXPNKZEWMMHM-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@@H](C)CF	2249306799	CVBSAGZYDPKKSR-LURJTMIESA-N	243.043	-0.302	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249412731	ZYRAFDHXPRJREB-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1cocc1B(O)O	2249424215	PNRXNAGMCMADMV-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCN1	2249889879	WONMCHPHTTZERW-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NCCC#CB(O)O)O1	2250004835	PWGAQASJSSONIF-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1ccc(B(O)O)cn1	2255531779	RKKNPKDSHRZBBH-VIFPVBQESA-N	246.075	-0.543	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC=C[C@H]1C2	2258127192	IJDCZGPPTKVSQE-IUCAKERBSA-N	247.059	-0.250	50	10	BBGE	
NC[C@@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369057	HQEYYCLZZLBRHC-SDNRWEOFSA-N	238.096	-0.953	50	10	BBGE	
COC[C@@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)OC	2298375731	XXSOJUMCGNEVGF-KHQFGBGNSA-N	245.084	-0.983	50	10	BBGE	
CN1CCN(CCC[C@@H]2C[C@H]2C(=O)NN)CC1	2300370887	NLXAJWVKOKSHNT-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2C[C@@H]1CO2	2312739584	PMCMRRUVTLOKQT-WCABBAIRSA-N	248.091	-0.259	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	2312848157	QHSGRIWYDKVNKZ-UYNYGYNWSA-N	247.103	-0.057	50	10	BBGE	
O=Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2317308881	NJMDVYFTKMNVKA-DLOVCJGASA-N	247.059	-0.622	50	10	BBGE	
O=Cc1ccc(NC[C@@H](O)C2CC2)cc1B(O)O	2317351832	ORDAHNJCPXTWKI-GFCCVEGCSA-N	249.075	-0.638	50	10	BBGE	
CCCCCNC(=O)COCC(=O)NN	58846675	ZUIFVCLZPNDSJI-UHFFFAOYSA-N	217.269	-0.701	50	10	BBGE	
CN1CCC(CN(C)CC(=O)NN)CC1	82469180	IYCCMMQCTWFRDI-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C)CCC(=O)NN	82469548	IDBJLZMZYPZARE-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCl	82512655	AYQJVNGRFIPHCF-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
CC(C)(CO[C@H]1CCOC1)C(=O)NN	86597532	GMJGBMPYNFOQNI-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](CNC(=O)CCl)c1nnn[nH]1	95226920	VKQZPQWDDQPQGC-SCSAIBSYSA-N	203.633	-0.342	50	10	BBGE	
CN(C)P(=O)(N(C)CO)N(C)CO	95704242	CUMGHBWMALLBIG-UHFFFAOYSA-N	211.202	-0.581	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NN	96552946	SEBHMGGYARQIIU-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
Cc1cc2c(=O)n(CCC(=O)NN)ccn2n1	132326273	HFGNTEQFMOEWIQ-UHFFFAOYSA-N	235.247	-0.816	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](CN)C1	163898423	BNLCJKJXIZINRA-SCZZXKLOSA-N	242.323	-0.930	50	10	BBGE	
CN(CCOc1ccc(B(O)O)cc1)C1CC1	199013376	BATYMCGWHDSBCZ-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCOC2)cc1	201371183	LULGLWKERHGBJE-LLVKDONJSA-N	222.049	-0.076	50	10	BBGE	
CCS(=O)(=O)S[C@@H]1CC(=O)OC1=O	207155939	JWDTWODLAHGRSN-SCSAIBSYSA-N	224.259	-0.089	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	250686071	FTCWOTQWWKPYAV-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	250701066	UCZNMMTYEPLWJI-ATZCPNFKSA-N	241.335	-0.011	50	10	BBGE	
Cc1ccc(C=NNC(=O)Cn2nnc(N)n2)o1	254318986	RTBIRQIDAOQZFC-UHFFFAOYSA-N	249.234	-0.693	50	10	BBGE	
CCOC(=O)NN=CN(C)C(=O)NC	256665375	KTTVVQWQTPHZNW-UHFFFAOYSA-N	202.214	-0.053	50	10	BBGE	
CC[C@@H]1CN(C)CCCN1CC(=O)NN	300356213	ZRYMJQKUNYHUIC-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
OB(O)c1c(F)ccc(Br)c1O	306226102	CDOZUZXOUQSQEA-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CN1C[C@@H](NC(=O)CCCl)CC1=O	306344762	OMJQSGHPQHALIA-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H]1CN(C[C@@H](Cl)C#N)CC(=O)N1	307215916	DYVSPAZCOHDFFU-BQBZGAKWSA-N	201.657	-0.062	50	10	BBGE	
CSC[C@@H]1CCCN(C(=O)C(=O)NN)C1	309015859	ZKYPGOTVVKMOTM-SSDOTTSWSA-N	231.321	-0.422	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)[C@@H](CO)C1	317429929	LKRGFBRJANKWAZ-SFYZADRCSA-N	221.684	-0.183	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(OC)C1	389252578	CVLJAJXKFWBZIO-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
CCOc1ccc2oc(B(O)O)nc2c1	396104142	LVWBTJJFXISFHZ-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
Nc1csc2cc(B(O)O)cc(C=O)c12	396259940	TYLRSWFXDVJXRR-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSCC(=O)Nc1ncc(B(O)O)s1	404986589	VYANKGXAHZFCHM-UHFFFAOYSA-N	232.095	-0.876	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1[C@H](C)C(=O)NN	688752806	FPCNEXLIGKYKTR-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
COC[C@@]1(C(=O)NN(C)C)CCCCN1	701372496	OKAYPQGAOBFQPL-SNVBAGLBSA-N	215.297	-0.262	50	10	BBGE	
COCC(COC)N(C)C[C@H](C)C(=O)NN	702037029	WNAKQEWPTWOMCW-QMMMGPOBSA-N	233.312	-0.794	50	10	BBGE	
NNC(=O)N[C@@H]1CCCS(=O)(=O)CC1	710653364	KIEXJWMPLOPVHW-ZCFIWIBFSA-N	221.282	-0.873	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1CCc2cc(B(O)O)ccc21	712218984	KUPMSVFGMBVQEU-GZMMTYOYSA-N	245.087	-0.089	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nc(O)cc(O)n1	716515854	CBSXEFSPVRWGJN-SCSAIBSYSA-N	244.276	-0.252	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ccccn1	746091628	GHHQSUXYHVCFGA-UHFFFAOYSA-N	245.242	-0.261	50	10	BBGE	
CC1(C)CNC(=O)CN1S(=O)(=O)CCl	831397869	BRIGEIRYJGTCMM-UHFFFAOYSA-N	240.712	-0.277	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)N2CC(F)C2)CCCO1	841587575	RELZNKGUMALLSE-JTQLQIEISA-N	245.254	-0.050	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2ncc[nH]2)CCCO1	854690220	SFIBKADNUHDOJM-JTQLQIEISA-N	238.247	-0.260	50	10	BBGE	
CC[C@@H](O)CC(=O)NNc1nnc(C)n1C	856046061	UIEBXSCBROJNBW-SSDOTTSWSA-N	227.268	-0.272	50	10	BBGE	
CN(NC(=O)C12CCN(CC1)C2)C(N)=O	901277698	JRDVQZJZWQXICE-UHFFFAOYSA-N	212.253	-0.876	50	10	BBGE	
O=C1CCC(=O)N(C[C@@H](O)CCl)N1	953112125	QMHLPGBFOBMXRN-YFKPBYRVSA-N	206.629	-0.760	50	10	BBGE	
CNC(=O)NNC(=O)c1nc(O)c(C)s1	1136379827	NZCLPIDXVWNQRS-UHFFFAOYSA-N	230.249	-0.269	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCC(N)=O	1618102055	XPDIEWJECXGXER-SREVYHEPSA-N	211.221	-0.578	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2Br)C(=O)CN1	1877372258	GTDXWTOUYLBKNH-NTSWFWBYSA-N	247.092	-0.272	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)F	1882789959	RQRHYVBPCFPVQX-WHFBIAKZSA-N	211.214	-0.523	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H](C)S(C)(=O)=O	1884831597	RQUXAFUQEOIDHB-NKWVEPMBSA-N	237.708	-0.224	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NS(=O)(=O)CCF)C1	1884893690	DSMRZHJDWMHNQI-BQBZGAKWSA-N	244.719	-0.203	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C(=O)F	1887173691	PNBPHFTYKKFHPG-LURJTMIESA-N	203.217	-0.562	50	10	BBGE	
CCSCC(=O)NCC=CB(O)O	1888865854	UBFFVFJKBCYLMC-UHFFFAOYSA-N	203.072	-0.576	50	10	BBGE	
Cc1cc(=O)n([C@H](C)CC(=O)NN)cn1	1893840539	QXCHYGMGTSBXHS-SSDOTTSWSA-N	210.237	-0.507	50	10	BBGE	
C=C(CO[C@H]1COCC[C@H]1C)B(O)O	1895211755	JLAARCNSKQGUCX-APPZFPTMSA-N	200.043	-0.004	50	10	BBGE	
CO[C@@H]1CCN(CC(F)(F)C(=O)NN)[C@@H]1C	1896021898	FXOWCDKQWFYOFO-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2NC(=O)O[C@@H]2C1	1897227795	XAEMHEKGUXDTKE-AUGZYCGMSA-N	244.634	-0.373	50	10	BBGE	
CO[C@@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	1900631747	ZXHMLJDKJWLSMO-ZETCQYMHSA-N	227.264	-0.854	50	10	BBGE	
CN(NC(=O)C[C@@H](CN)C1CC1)S(C)(=O)=O	1901374646	FWCQWIRMMLIXHU-QMMMGPOBSA-N	249.336	-0.716	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](CO)C(C)C	1902079545	OPUAQQUWTJFYQQ-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CC[C@@](C)(CN1CCS(=O)CC1)C(=O)NN	1902717133	ZURURBDVBMTKJG-JTQLQIEISA-N	247.364	-0.543	50	10	BBGE	
N[C@H]1COCC[C@@]1(N[C@H]1C[C@H](Cl)C1)C(=O)O	1904266669	NBAAIHMWOAZDQV-GHCJXIJMSA-N	248.710	-0.083	50	10	BBGE	
Cc1c(O)nn([C@H](C)CC(=O)NN)c(=O)c1C	1905534975	NREPSHKHBIEDDP-RXMQYKEDSA-N	240.263	-0.493	50	10	BBGE	
O=C([C@H]1CCCOCC1)N1CC[C@H](B(O)O)C1	1905584515	QBRKCTDUALNUKU-UWVGGRQHSA-N	241.096	-0.122	50	10	BBGE	
CS(C)(=O)=NCc1ccccc1B(O)O	1913505909	UATYQHVRRZUDAU-UHFFFAOYSA-N	227.094	-0.406	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914010847	LXZSJVJLSDYGFQ-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)C12CCC2)C(=O)NN	1914396488	OAQHPVGFZJEMQU-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CN(C1CC(O)C1)[C@H](C(=O)NN)C(C)(C)C	1914601667	UNRJIRITKNDORK-AMDVSUOASA-N	229.324	-0.154	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CCNCC2)CC1	1917052231	JJEOIXGAUSZPBY-UHFFFAOYSA-N	234.303	-0.426	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154503	GPRLZDPGWCSUBE-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
O=CNNC(=O)[C@@H]1CCCC12OCCO2	1923810050	AWTDCXBJCNMJKQ-ZETCQYMHSA-N	214.221	-0.693	50	10	BBGE	
O=C(CCCl)N[C@H]1COC[C@@H]1CO	1928734592	BJENELMMXRSYFF-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)CCC(=O)NN	1929908041	LHELXFYEBZGXDR-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC(F)(F)C1	1932126080	GVXRJGCSFMBABL-ZCFIWIBFSA-N	223.223	-0.320	50	10	BBGE	
COC1(CO)CN(C(=O)[C@H](C)Cl)C1	1935352140	UDLWBKZNHVKWBA-LURJTMIESA-N	207.657	-0.167	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)ccc1=O	1936079939	HIZZWGSQTKSOFR-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCCC[C@@H]21	1936500198	MJHBTCUCBUNQCJ-VGMNWLOBSA-N	225.292	-0.081	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)C1(C)C	1938473145	JVNDHYSOEPGMCD-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1C(=O)N(CC(F)(F)C(=O)NN)C(=O)[C@@H]1C	1940896708	WGXHNLHJADAEGF-SYDPRGILSA-N	249.217	-0.747	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1C	1941095697	ZYHKAPYSOFFFNE-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1C[C@@H](C)C(=O)NN	1942614102	UZDUUYTZPKVLHL-YIZRAAEISA-N	242.323	-0.931	50	10	BBGE	
OB(O)[C@H]1CCN(CC2=CCCOC2)C1	1951320160	FDEOSBCHNAHSHU-JTQLQIEISA-N	211.070	-0.118	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(=O)NC(=O)C1	1955557292	DLYQLQMPQUCXKF-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCCC[C@@H]1O	1961675531	CKZDACVNFPLPGB-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)[C@H]1C	1961691861	QUEAYYBAOKADDJ-BQBZGAKWSA-N	207.042	-0.999	50	10	BBGE	
NNC(=O)CCCN1CC(N2CC(F)C2)C1	1976214260	ZACZLYYNTVPSGA-UHFFFAOYSA-N	230.287	-0.906	50	10	BBGE	
CCCN(OC)c1ncnc(C)c1B(O)O	1981446400	XZBKKSSLHKGQBY-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)Cc1nsc(C(=O)NN)n1	1981535544	JFXJJMOJPGRVFO-WDSKDSINSA-N	241.320	-0.018	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC(CF)C1	1982447464	WIMIIGSPYWWCHM-HACHORDNSA-N	233.287	-0.329	50	10	BBGE	
COC[C@@]1(C)CCN1c1nc(B(O)O)cs1	1982947305	LQOPFVKCFFTEGV-SECBINFHSA-N	242.109	-0.562	50	10	BBGE	
CC[C@@H](CO[C@@H](COC)C(=O)NN)N(C)C	1983913843	NMSBZWWTKYJUKF-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
Cc1ccc(B(O)O)c(OC(CF)CF)n1	1985997194	LICUYQNWVDNWSW-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]1C(C)(C)O	1989117167	IAJKXMBHYOBVIZ-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CN(CC(=O)NN)CC12CCC(CC1)OC2	1989781988	FYKSXUCPZNPYBD-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12CCOC[C@H]1C2	1990384358	XPWPCGFAHUPETQ-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CN1CCN(C(=O)CNC[C@@H]2C[C@H]2Cl)CC1	1991453145	VTCBGDPBBAPCMZ-VHSXEESVSA-N	245.754	-0.023	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](n2cncn2)C1	2004324688	AJUSFAWOFQSDDZ-VIFPVBQESA-N	238.295	-0.705	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	2008728008	PJYPDJZEYLMQAC-JLIMGVALSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@H]3COC[C@H]32)c1	2015128952	VQJXFVKLEFUFIG-URLYPYJESA-N	235.048	-0.967	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2017284804	BZVWQMPVACJOII-FKSUSPILSA-N	249.261	-0.566	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@]12C[C@H](CO1)C2	2018479806	RKAWDDAGBUUKMM-WVSHTKLVSA-N	239.319	-0.133	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@@H]1CC[C@H]1N	2043163556	YYECKKMDIZFZPG-NXEZZACHSA-N	249.318	-0.054	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855385	QLRFUWVZFWSLNS-VUNKHBJGSA-N	244.103	-0.148	50	10	BBGE	
O=C(CS)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	2209300916	QYXWZQACWONMNK-CRCLSJGQSA-N	243.737	-0.563	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)[C@H]1C[C@@H](O)C1	2210105695	GNBLYCRLTLESPJ-KNVOCYPGSA-N	237.250	-0.543	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCC(N=C=O)CC1	2211592085	BHRPXFROTNXDIJ-UHFFFAOYSA-N	247.320	-0.017	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2211839319	SLVOSAFWEDFSBP-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H](CN(C)C)Nc1ncccc1B(O)O	2212600667	FCFADKDWVDGDRX-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212603066	BWULKMACTNAVFC-SRSLHRDFSA-N	219.053	-0.633	50	10	BBGE	
C#C[C@H](CCC)Nc1ncc(B(O)O)cn1	2212610620	LVOCYHQBYKQKEU-SECBINFHSA-N	219.053	-0.630	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CC[C@@H]1N	2214593758	XJEJHZGOAMEXMM-RYUDHWBXSA-N	234.108	-0.712	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215773038	ADVXSELOECHWJH-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CCC(CO)CC2)CCC1	2216495591	QKISYNJDKYIRSY-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
Cc1cnc(OC[C@H]2C[C@@H]2CN)cc1B(O)O	2217173828	QWXAMBWOOPNGIJ-RKDXNWHRSA-N	236.080	-0.957	50	10	BBGE	
Cc1cnc(O[C@]2(C)CCNC2)cc1B(O)O	2217174315	UEZLNAHHKNDZNC-LLVKDONJSA-N	236.080	-0.799	50	10	BBGE	
Cc1cnc(O[C@@]2(C)CCNC2)cc1B(O)O	2217174316	UEZLNAHHKNDZNC-NSHDSACASA-N	236.080	-0.799	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2CCCO2)[nH]c1	2217176895	BPQMQMYLLIHHNK-SNVBAGLBSA-N	236.080	-0.836	50	10	BBGE	
CC[C@@H]1COC[C@@H]1Nc1ncccc1B(O)O	2217177033	DTIXCQAAULYJGF-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCCCF)c1F	2217181926	XDWAGCVBBSDVLS-UHFFFAOYSA-N	244.050	-0.126	50	10	BBGE	
CC[C@@H]1CNC[C@@H]1Oc1cc(B(O)O)ccn1	2217189488	DWISYIIJDDZHHM-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncc[nH]1	2217196029	PNDOIROWHZDUEP-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
CC(C)[C@@H](CCO)Nc1ncccc1B(O)O	2217203105	PROGRIVAEVYPNZ-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
CCC[C@H](O)CCNc1cc(B(O)O)ccn1	2217203782	ADRRXEZRTVOXGM-JTQLQIEISA-N	238.096	-0.276	50	10	BBGE	
OC[C@@H]1CCCCN1Cc1cccc(B(O)O)c1	2220056122	BNJRPJWOTKDCGE-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c1F	2223646119	GLKMXCLGNGFURF-GPPXWSAVSA-N	248.066	-0.033	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@H]1CCN(C)C1	2223667899	VUIUZUCVYUHLSP-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
C[C@@H]1OCCN(C(=O)C2(B(O)O)CC2)[C@H]1C	2243365843	SXQAYUFSVHGCOU-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)C1(B(O)O)CC1)C2	2243369343	SEMTYCHVBHDBDN-CBAPKCEASA-N	225.053	-0.617	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2sncc2B(O)O)[C@@H]1C	2243378722	YDMGLTJWYDEBFP-CNYLLVADSA-N	240.093	-0.793	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cc(B(O)O)cs1	2243385131	CXTYOFIXLVYVNT-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C#CC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243391963	PVDPEVPKQKXXSH-UWVGGRQHSA-N	221.065	-0.279	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@]12CCSC2	2243398619	FTOKWPSWBWTEJD-JTQLQIEISA-N	239.105	-0.500	50	10	BBGE	
CCONC(=O)c1ccc(C)c(B(O)O)c1	2243398933	VLQXULVBISHDKZ-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C#CB(O)O)O1	2243399459	MHQKSXZWCVGLGY-MRVPVSSYSA-N	225.053	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2CCC[C@H]1C2	2243400334	ZKWKLTKCUIGHFK-GUBZILKMSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)C1(B(O)O)CC1	2243408358	LSBXAMLNBPOQFI-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOCCO1	2243414195	VNKGDGMQEMQRJT-UHFFFAOYSA-N	229.041	-0.970	50	10	BBGE	
C=C[C@@H](C)Oc1ncc(B(O)O)c(OC)n1	2244128243	UEFHGYRLALMHHX-ZCFIWIBFSA-N	224.025	-0.882	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@@H](C(=O)NN)C(C)(C)C	2245153237	HWVPUVXZKWAFJT-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
O=C(NC1(CCF)CC1)c1ccc(B(O)O)o1	2247742014	JEYYACRSEGXPIR-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1B(O)O	2247752867	XDHPRNPMPXRNFL-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2247801242	YQSVKWWNHCLFHF-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@H]1C[C@H]1B(O)O	2247806672	OIYNWZIRGYHUJZ-DTWKUNHWSA-N	235.052	-0.702	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247808374	URBHOHPAHONCFB-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CCC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810012	TUVKDBDUUQZSDK-KKZNHRDASA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@@H]1C(C)C	2247846835	MWEHGPNODHOFKJ-MWLCHTKSSA-N	239.080	-0.726	50	10	BBGE	
C=CCN(CCC)C(=O)c1ccc(B(O)O)o1	2247847884	DBAYNZDWBJJXAP-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCN(CC(C)C)C(=O)c1cc(B(O)O)c[nH]1	2247849838	GBSCPCJBKDLMSR-UHFFFAOYSA-N	238.096	-0.187	50	10	BBGE	
CC1(C)CN(C(=O)c2ccncc2B(O)O)C1	2247854479	DDFHQEGJLDGYLD-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)ccn1	2247860030	QVCZDKREUQQHJU-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2247870261	HBAQYPDBCAZGFK-LDYMZIIASA-N	235.048	-0.559	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1(B(O)O)CCC1	2247877030	AUJZVLGAVXMRRY-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)c(OC)c1	2247887301	MUIDLACQIKVUOH-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895438	SMWATPNPWCRMKY-OCAPTIKFSA-N	237.068	-0.413	50	10	BBGE	
Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2B(O)O)n[nH]1	2247895542	ARQQLVQHYLCSPK-UBKIQSJTSA-N	238.056	-0.847	50	10	BBGE	
CN1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C(C)(C)C1	2247895920	VYEXXKGYOCKCDZ-VGMNWLOBSA-N	240.112	-0.694	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)ncn1	2247897286	QFKFOJUWEWNEPL-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
O=C(NCC12COCC(C1)C2)[C@H]1C[C@H]1B(O)O	2247899827	QNINOOUEMMISFS-UVCIYIGYSA-N	239.080	-0.608	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1O	2248031512	BYEUTLWTWKZNDH-SSDOTTSWSA-N	235.048	-0.624	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)cc1OC	2248419893	JSMLBMGWUTVOOL-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575818	CBFLFNLLUWHCEB-MUWHJKNJSA-N	241.052	-0.780	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1cc(B(O)O)co1	2249419135	CTFCSFFVNRLQIQ-SVRRBLITSA-N	241.027	-0.468	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]21	2255464798	BCMUCVYSZHEXNJ-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@H]2CC[C@@H]21	2255546415	FFDVBGXMKOXCIC-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1c[nH]nc1B(O)O	2255562910	ANNHAXNZBZHSOM-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)NC1CC=CC1	2255587178	QPEIBEOMXOOKFI-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
Cc1ncnc(CN(C)C(=O)C#CB(O)O)c1C	2255671139	NDFBDDWDVVJEAR-UHFFFAOYSA-N	247.063	-0.933	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2255673173	OHFXPBZTYKTWOW-FXBDTBDDSA-N	248.091	-0.387	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2255716652	FEZITVAVRBCITF-SOCHQFKDSA-N	248.091	-0.464	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1[C@H]2CCC[C@@H]1C2	2255730538	OGHLPVDHHGGNIK-PHIMTYICSA-N	246.075	-0.472	50	10	BBGE	
Cn1cc(C2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C2)cn1	2255765717	UDHZDVNTMRMKPK-ZJUUUORDSA-N	249.079	-0.791	50	10	BBGE	
C=CCC(=O)N1CCc2cc(B(O)O)ccc2C1	2256642363	YGMWFUFWIJNEIR-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
O=C(CCO)N1CCCc2ccc(B(O)O)cc21	2256664444	CNEOWKXDLXZDJK-UHFFFAOYSA-N	249.075	-0.972	50	10	BBGE	
Cc1ccnc(NC(=O)c2cocc2B(O)O)n1	2258145558	DPZXWIIHHOMERI-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1nc(OC2(C3CC3)COC2)ccc1B(O)O	2260132112	LRGLGFVLMVSMRR-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
NNC(=O)CCN1[C@H]2CCCC[C@H]2C[C@@H]1CO	2298232494	DOZZCNAWQQCCBG-AXFHLTTASA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298369799	FVDPFVULXZEWOR-BBBLOLIVSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCOC[C@@H]21)[C@H]1C[C@H]1B(O)O	2298375449	KNWUYUISHVVZPF-BQHMLIOBSA-N	239.080	-0.752	50	10	BBGE	
CN(C[C@H]1CCCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298376896	VRYSDBSWYPOUTK-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
CC[C@H](OCc1nnn2c1CCC2)C(=O)NN	2301185479	KHNOPIQUTRSPHL-VIFPVBQESA-N	239.279	-0.491	50	10	BBGE	
CC[C@H](N)CNc1ccc(B(O)O)cc1C#N	2301343313	JPLYFYYETZOHCM-JTQLQIEISA-N	233.080	-0.613	50	10	BBGE	
CC(C)=C(COCCN1CCOCC1)B(O)O	2301957749	DQPOLAGJUPGPBE-UHFFFAOYSA-N	243.112	-0.316	50	10	BBGE	
COC1CC(CC(=O)N2CC[C@H](B(O)O)C2)C1	2303111613	KXXBQKFMJOQCKD-KYHHOPLUSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H](C)CC(N)=O)C(=O)NN	2303426023	JYGHMPNXFXTQES-GZMMTYOYSA-N	244.339	-0.412	50	10	BBGE	
CC1(C)[C@H](N)CCN1c1ccc(B(O)O)cn1	2307329052	VHBSAHMQRWRLPK-SECBINFHSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@@H]3C[C@@H]3C2)[nH]c1	2312613123	CBBHQNJHJXHYBY-AEJSXWLSSA-N	247.107	-0.574	50	10	BBGE	
C=C1C[C@H]1C(=O)NCCc1ccc(B(O)O)cc1	2319252866	PRYXBCMELBRVMK-GFCCVEGCSA-N	245.087	-0.399	50	10	BBGE	
C=C1C[C@H]1C(=O)NCCc1ccccc1B(O)O	2319322903	ISLRXMIRLYFMNV-LLVKDONJSA-N	245.087	-0.399	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2O[C@H]3CC[C@H]2C3)c1	2327545693	ROJVABPPVZDEMI-PTOFAABTSA-N	249.075	-0.292	50	10	BBGE	
CC(=O)NCCNC(=O)CCC(=O)Cl	33433509	ILABOFYWYJFLLT-UHFFFAOYSA-N	220.656	-0.216	50	10	BBGE	
NNC(=O)C(=O)N(CCO)C1CCCCC1	42527486	PDFREVMMYHXBLR-UHFFFAOYSA-N	229.280	-0.870	50	10	BBGE	
C[C@@H](CC(=O)NN)NC[C@@H]1CCCO1	58852340	LZOPSLYJJZNKGQ-YUMQZZPRSA-N	201.270	-0.477	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCCl	70911675	OHEBYJFYYXWQMC-BQBZGAKWSA-N	234.683	-0.548	50	10	BBGE	
CN1CCC(N(C)CCCC(=O)NN)CC1	82466476	XFVLZIHNNRSYSV-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CN1CCCN(CCCCC(=O)NN)CC1	82466525	AHXNFHURAYPJGV-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCSC1	82467263	IZOPHTZRJWIMKY-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
CCCCN(CCO)[C@H](CC)C(=O)NN	82469731	YMJUTPQLNLGCHK-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H](CSc1nnc(N)s1)C(=O)NN	82472900	LGGMGXKRRHZTET-GSVOUGTGSA-N	233.322	-0.162	50	10	BBGE	
NNC(=O)c1occc1CN1CCC(O)CC1	110568571	IEIISYMRYILARG-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CCN(C)CC(=O)N1CCC(C(=O)NN)CC1	110573400	OMJIKZAQBHWXHB-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
C[C@H]1COCCN1c1cccc(B(O)O)c1	204447403	CPTWRWVCNHXWKQ-VIFPVBQESA-N	221.065	-0.409	50	10	BBGE	
C[C@@H]1CN(C)CCCN1CCC(=O)NN	235334322	OABMITYCSMCSGH-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H]1C[C@H](N2CC(=O)OC(=O)C2)CCO1	235420696	HRFITZUCMXFVTC-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
NCCSCc1cccc(C(=O)NN)n1	236248707	VFROHYQUSOAXEC-UHFFFAOYSA-N	226.305	-0.123	50	10	BBGE	
O=C(O)c1ncc(B(O)O)cc1Cl	238632840	LXAAAVCDWXVCGS-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	251572017	VDHVTMQWGMUMKS-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CCCN1C	252579667	OHNPRCSRKMVDQM-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CN1CC[C@H](CCN(C)C(=O)NN)C1	258660478	BTEGCNMLCVDRDH-MRVPVSSYSA-N	200.286	-0.157	50	10	BBGE	
CN1CCC[C@@H](C[C@H](N)C(=O)NN(C)C)C1	258945717	AOMPBQTWHIBZKR-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@@H](O)C1	305901080	AWFZIVAEDGSPEY-MRVPVSSYSA-N	236.275	-0.748	50	10	BBGE	
OB(O)c1cccc(OCO[C@H]2CCOC2)c1	310288029	MXPKNGWRBYUQQE-NSHDSACASA-N	238.048	-0.492	50	10	BBGE	
O=C(NNCC(F)(F)F)[C@@H]1COCCN1	381495258	MCFHVMLRTWDNKO-YFKPBYRVSA-N	227.186	-0.842	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)CCC(=O)NN	385003855	WCOMTVPHLVFZSQ-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
N=C(N)NCCSSC[C@@H](N)C(=O)O	388806467	OPRDFOVCRQVJNG-SCSAIBSYSA-N	238.338	-0.737	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)[C@H](C)CO1	404109247	VSKYAIGAXRRMIH-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnns1	404937520	JGOGRTTWWQKQRI-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cn[nH]c1	404984485	SYUDEJKHIIHDMX-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
OCc1cc(F)c(B(O)O)cc1S	575706003	QADZNERLKFHRQA-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CCCC(=S)O[C@@H]1C(=O)OC(=O)[C@H]1O	585664082	RASSKBLHKOKYLO-WDSKDSINSA-N	218.230	-0.057	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687259050	CXBHBJRULWHXMF-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](NC(N)=O)C1	690796042	PZMOUJMENLDMRU-WDSKDSINSA-N	219.672	-0.117	50	10	BBGE	
OB(O)c1ccn(CC=C(Cl)Cl)n1	694269663	KFDPRLYEQCPDJB-UHFFFAOYSA-N	220.852	-0.118	50	10	BBGE	
NNC(=O)c1sccc1CN1CCNC1=O	696379061	TXQKXKCJUVSJPJ-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
NC(=O)NNC(=O)CCN1CCSC1=O	700868906	MCFWOOAGNVQEQB-UHFFFAOYSA-N	232.265	-0.755	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](CSC)C1	706629969	BTAWMDWEJGADLQ-BDAKNGLRSA-N	247.364	-0.324	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1Cc1ccccc1B(O)O	708377444	VGUVVZGVFWHXQY-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1CCN(C)C2)C(=O)NN	718902001	WKEIKPABIKLWMB-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCCC12OCCO2	773848669	PAZIZAXGDXCPFD-SSDOTTSWSA-N	243.263	-0.510	50	10	BBGE	
CCOC(=O)/C(C#N)=C\N[C@H]1C[C@@H](C(N)=O)C1	844269990	YGFHJNJAZYHYPT-QUNXECGUSA-N	237.259	-0.190	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCC1	932517514	YUGBVKMKNNPHCO-HTQZYQBOSA-N	212.249	-0.031	50	10	BBGE	
CON=CC(=O)NNC(=O)NCC1CC1	1136416497	SXMRMBCGFJVYNK-UHFFFAOYSA-N	214.225	-0.641	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1ccnnc1	1162160387	RRYLOHRQWUHOLA-LURJTMIESA-N	242.185	-0.107	50	10	BBGE	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)N(C)C	1292258287	NSJSANLFVBFWEL-SSDOTTSWSA-N	244.295	-0.564	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1ncnc2[nH]cnc12	1306648326	OEGJDNDUGXFRNR-PHDIDXHHSA-N	248.246	-0.169	50	10	BBGE	
O=C(CCCCO)NNC(=O)[C@H]1CCCO1	1329951171	MHXAUTWPSKURHZ-MRVPVSSYSA-N	230.264	-0.525	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)NCC1CC1	1442295204	KTSBEIBCAYJGMF-UHFFFAOYSA-N	240.307	-0.155	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1442297582	YTZJKVULNUJTRB-RNJXMRFFSA-N	239.275	-0.048	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1coc(C#N)c1	1616527176	OMCMQTABBPTSMO-UHFFFAOYSA-N	237.215	-0.317	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@H]1Br	1877373517	GFNDMORCYIVJID-CRCLSJGQSA-N	232.085	-0.173	50	10	BBGE	
O[C@@H]1CN(CCCCl)[C@@H](CF)[C@H]1O	1884173059	RCCFWFIKKAPJNN-XLPZGREQSA-N	211.664	-0.009	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC([C@@H](O)CO)C1	1887280982	KCRSDOCHWKOBLZ-SVRRBLITSA-N	221.684	-0.327	50	10	BBGE	
N=c1[nH]nc(C(=O)NC[C@@H]2C[C@@H]2Cl)[nH]1	1893106367	FLAJXKSULDKMCD-IMJSIDKUSA-N	215.644	-0.426	50	10	BBGE	
CCn1c(O)nnc1CNC(=O)CCl	1893362177	ABICINRWFLIENU-UHFFFAOYSA-N	218.644	-0.141	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@](O)(CO)C1	1893445526	CTCQIVVLJUMQKI-ZXFLCMHBSA-N	219.668	-0.431	50	10	BBGE	
C#CC[C@H](CO)NC(=O)/C=C/C(=O)Cl	1893503957	ALICNCOXEYDOTQ-SMMXGFFBSA-N	215.636	-0.192	50	10	BBGE	
C[C@]1(O)CN(S(=O)(=O)CCl)CC[C@H]1O	1901104590	HMIMIKJJTYLRJU-RQJHMYQMSA-N	243.712	-0.670	50	10	BBGE	
CC#CCOc1ccc(B(O)O)cc1C#N	1901212343	ULRAOPIPCJEXDQ-UHFFFAOYSA-N	215.017	-0.360	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H]1C(N)=O	1901763796	MWSQSJUELAMRGG-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1CNC[C@H](O)C1	1909294714	CRFWTLHJSUJEPZ-DFAZKQQPSA-N	232.711	-0.157	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@H]2C2CC2)nc1	1910814726	ZJNOQEDCXNRAHU-WPRPVWTQSA-N	234.064	-0.419	50	10	BBGE	
CCCn1ccn(C[C@H](C)C(=O)NN)c1=O	1912215197	HGUUKRWIVZCCGC-QMMMGPOBSA-N	226.280	-0.314	50	10	BBGE	
COc1ccc([C@@H](N)B(O)O)c(OC)c1OC	1912278010	OLJAQUJSTVSDJX-SNVBAGLBSA-N	241.052	-0.276	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCN)CC1	1917091856	LJPDUOLVSDJQMX-UHFFFAOYSA-N	215.278	-0.569	50	10	BBGE	
C[C@H](CC(=O)NN)SCCNCCN	1923474850	GOWZHUNKRDREOQ-SSDOTTSWSA-N	220.342	-0.964	50	10	BBGE	
N=c1[nH]nc(SC[C@H]2C[C@@H]2C(=O)NN)s1	1927917997	OKEWJMPWKMBSLG-DMTCNVIQSA-N	245.333	-0.331	50	10	BBGE	
Cc1ccc(O)c(C(=O)NNCCO)c1	1929837135	VDLJGIKAPBOVGG-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC12CCC2	1934048191	YMSHXPOSGDUIHR-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
Cn1c(=O)n(C)n(C[C@H](Cl)C#N)c1=O	1934714463	LVWZRPBEEKLGBW-RXMQYKEDSA-N	216.628	-0.984	50	10	BBGE	
COc1cscc1C(=O)NNCCO	1934845411	LYWPYZKWIUHRPG-UHFFFAOYSA-N	216.262	-0.017	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)C(=O)NN	1935343224	HYEMKWZKFRBIQW-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
COC1(CO)CN(S(=O)(=O)CCCl)C1	1935348685	ZUTRHEYFWONNKY-UHFFFAOYSA-N	243.712	-0.752	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1935769912	AZZKZSAGCJBWFB-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CC(F)(F)C(=O)NN)C1	1935926280	OVFQQPGVJBSPCW-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCC[C@H]1O	1936086593	YOHOSBVHADKHTK-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCCO1	1936093074	ANICNYJTMJHOBA-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CO[C@]1(C)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094255	LPGKCGNTZSNUPD-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H](COCCOCC(=O)NN)C(C)C	1936534239	NTTATGAKXFZTNK-SECBINFHSA-N	234.296	-0.320	50	10	BBGE	
Cc1ncccc1OCCOCC(=O)NN	1936536447	VWLBWFRHKZFUQP-UHFFFAOYSA-N	225.248	-0.225	50	10	BBGE	
C[C@H](CN1CC(C)(C)C[C@@H]1CO)C(=O)NN	1938237664	PRMOFTVOGHKYGU-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941085935	GHZPFQJRWCDDPP-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CO[C@H]1CN(CCOCC(=O)NN)CC[C@@H]1C	1941773929	DUXUEPXFFROQTF-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CC(C)(CN1CC[C@H]2[C@H](C1)[C@@H]2CO)C(=O)NN	1944549761	ZQPZULBEQSEFJV-LPEHRKFASA-N	241.335	-0.437	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2C[C@@H](CO)CO2)CC1	1949816692	GYGYRWBKSZAAIW-WDEREUQCSA-N	240.303	-0.266	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12COC[C@H]1C2	1951320197	FZJKKMKDFJLJFK-WEDXCCLWSA-N	225.053	-0.902	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@H](O)[C@@H](C)O	1954511744	UTKOYADIVKQHKM-VQVTYTSYSA-N	209.673	-0.138	50	10	BBGE	
N#C[C@H](Cl)CN1CC(NC(N)=O)C1	1954691453	CAMDEMYVXKHXJI-YFKPBYRVSA-N	202.645	-0.530	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1956858426	MQLNAERDEXHBRC-UHNVWZDZSA-N	218.640	-0.513	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12	1958833892	RDOWOLKZDQMYQW-MYINAIGISA-N	213.237	-0.375	50	10	BBGE	
CON(CCCC(=O)NN)[C@H]1CCOC1	1960123583	BWKZNGKJDBJEQL-QMMMGPOBSA-N	217.269	-0.591	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCN2CC(=O)NN)C1	1961388262	PQXPMUIVKDSRQA-IUCAKERBSA-N	212.297	-0.998	50	10	BBGE	
OB(O)c1csc(N2CCC[C@H]3C[C@H]32)n1	1961718081	JVZYWIZKGWJXHA-NKWVEPMBSA-N	224.094	-0.188	50	10	BBGE	
CN(C)CCCOC[C@H]1C[C@@H]1C(=O)NN	1974679172	RLJJUUOCZFMMGY-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
NC(=S)NNC(=O)c1ccnn1C1CC1	1975050034	AZZHTLNIPOTZSQ-UHFFFAOYSA-N	225.277	-0.304	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]1c1ncon1	1976760555	IKXBRFFONZTVJJ-BQBZGAKWSA-N	225.252	-0.415	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1	1980817099	RQYKAHHMTJHAHT-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
OB(O)c1cncnc1Sc1cccnn1	1981455022	SXHPBNLOWIJNBR-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
O=C(NCC#CCCl)[C@@H]1Cc2nncn2C1	1983001154	WDGMOJHNCLKKFD-MRVPVSSYSA-N	238.678	-0.191	50	10	BBGE	
Cc1nc(NC(=O)C(C)C)ncc1B(O)O	1988514059	VUNWBHOCBPOKEQ-UHFFFAOYSA-N	223.041	-0.941	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@H](C)C(=O)NN	1988556757	ISVBCRXJBSVHQU-AEJSXWLSSA-N	229.324	-0.173	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	1988761428	NFTSDTOAWQQKNZ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(C1)CC2(F)F	1990775196	SGHGCRSFEQGXHJ-UHFFFAOYSA-N	233.218	-0.505	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1[C@@H](C)F	1990776388	KAXGGBQEMGCVAC-APPZFPTMSA-N	231.271	-0.024	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCNC[C@H]1CO	1991652866	SJNOBFUDTUZOGT-YUMQZZPRSA-N	246.694	-0.605	50	10	BBGE	
C=C(CN1CC[C@H]2CCN(C)[C@@H]2C1)B(O)O	1992153970	ULIMPNCESJXROG-GHMZBOCLSA-N	224.113	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1C(=O)NC1CC1	2003595637	SXVVFLMPYVBWGR-CBAPKCEASA-N	240.307	-0.892	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnn(C)n1	2004800199	IMGONDQEWSHGLC-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
CCOC1CN(c2cc(C)c(B(O)O)cn2)C1	2004913159	BXCQGGUNWDWWHY-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CN(Cc1ccsn1)c1ccc(B(O)O)cn1	2004917390	WCTGIBKMXVXOHB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@]3(C)C2)ccc1B(O)O	2005015258	YDYBBIDTAZJNPR-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC(F)(CO)C1	2005080321	RNTZMTRZEPNEBM-UHFFFAOYSA-N	243.238	-0.601	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC12CC(CF)C2	2011139312	NLVKHPQLNVNHMI-INWMGODYSA-N	245.298	-0.185	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)cn2)nnc1C	2013210201	WDNJVIXXPKTTQA-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ncc(F)cc1B(O)O	2014926117	JHFSYBOILPGMHJ-SVRRBLITSA-N	242.034	-0.163	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC[C@@H]2C[C@@H]2C)n1	2022577826	BCBHQAOHASEAMZ-RCOVLWMOSA-N	236.080	-0.192	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@@H]3CF)(C1)C2	2023852750	IDOVSGHCWIVGRR-MFAVDMRSSA-N	243.282	-0.431	50	10	BBGE	
C=C=CCC(=O)NCc1ccc(B(O)O)cc1	2025196248	GRYSUKLTWPREBT-UHFFFAOYSA-N	231.060	-0.286	50	10	BBGE	
Cc1nnc(CN(C)c2ccc(B(O)O)cn2)o1	2052466587	JNDPBQVOHKZIRZ-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@@H](C2CC2)C1	2052493670	XKUCPUGCWCTZRW-GFCCVEGCSA-N	248.091	-0.623	50	10	BBGE	
Cc1cnc(N2CCN(C)[C@@H](C)C2)c(B(O)O)c1	2052624964	JLGWEQJNSXTUAX-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCc1ccc(C=O)c(B(O)O)c1[N+](=O)[O-]	2060035353	HOIWQHRWWPDEAM-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
O=Cc1c(F)cc(B(O)O)cc1OC(F)F	2060265179	JVOGJLWJCGXDBM-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
CO[C@H](C(=O)NCC#CB(O)O)c1ccccc1	2077482726	JEESPPZSQLGEAL-NSHDSACASA-N	247.059	-0.494	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210696278	WOCXGNHLQKUCNJ-HRDYMLBCSA-N	233.287	-0.450	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1ncccc1B(O)O	2212601973	WTDIPWREQOUZEU-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
OB(O)c1ccc(NCc2ccns2)nc1	2212602714	IQJMEEYNIDQYEA-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
COCCCCOc1cc(B(O)O)ccn1	2212608314	RNOLLQYCICAZKT-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
OB(O)c1ccnc(NCc2ccco2)c1	2212611171	WMDBPODOQPDCEY-UHFFFAOYSA-N	218.021	-0.034	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC(C(F)F)C1	2212759649	XZRDGBFADWGBRK-UHFFFAOYSA-N	233.023	-0.038	50	10	BBGE	
CN(Cc1nscc1B(O)O)c1cccnc1	2214609759	GAURHBCZSZCLMZ-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	2215199374	PRCMSEPBXILDRU-HPENLJRUSA-N	239.319	-0.136	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC[C@H](CO)C1	2215777017	QFGPVUFMRKMYJQ-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN([C@@H](C)CC(=O)NN)C1	2216290927	IOHGUPLEQUMLTN-GUBZILKMSA-N	245.323	-0.509	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)CC#N)cc1B(O)O	2217182558	FCAPQRKWDZOFAZ-VIFPVBQESA-N	233.080	-0.192	50	10	BBGE	
OCC1CCN(Cc2cccc(B(O)O)c2)CC1	2220058135	KGJCIEYMFKOVBQ-UHFFFAOYSA-N	249.119	-0.429	50	10	BBGE	
Cc1nc([C@@H](C)Nc2cc(B(O)O)ccn2)n[nH]1	2223669906	PZWCLTCOEOCPNM-ZCFIWIBFSA-N	247.067	-0.639	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC2(CC2)C1	2243348581	ZYICMGGJPNOUSV-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
C#CCCCNC(=O)c1coc(B(O)O)c1	2243349369	KGLXSLPGOXBCLH-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
CCCNC(=O)c1cc(C)cc(B(O)O)c1	2243366302	AEMKENJAWRNMPY-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)c(F)c1	2243374438	FKNLDMGKXVESDS-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243390832	BWMQDAGARHLWEI-YUMQZZPRSA-N	226.085	-0.940	50	10	BBGE	
O=C(N[C@@H]1CCCNC1)C1CC(B(O)O)C1	2243391644	MUHIGKYPZPDROJ-AMDVSUOASA-N	226.085	-0.892	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)s1	2243396682	PMQHAMDSNHLBLY-JGVFFNPUSA-N	240.093	-0.069	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(CCCC2)C1	2243399884	RYLJIVLPNRHYQB-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCCOC1	2243405120	ZXCRQGISVSAPMF-XKSSXDPKSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1CO[C@H](CNC(=O)C2(B(O)O)CC2)C1	2243410246	XUKJAVZHPYGAKP-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)C2(B(O)O)CC2)C1	2243410247	XUKJAVZHPYGAKP-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
COCCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420416	RZGAMVPCSSCKIF-KYZUINATSA-N	229.085	-0.218	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2244205431	JFKSYVFSOUZKLZ-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)sn1	2244546045	GDGKIIARKCZKGA-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
CN(C(=O)Nc1cccc(B(O)O)n1)C1CC1	2247216912	LJJGKQAGHISNLC-UHFFFAOYSA-N	235.052	-0.613	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1coc(B(O)O)c1	2247736011	RHRCCGAWBITAPO-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]1C(F)F	2247744659	WDEWEKWGVMVXIU-LURJTMIESA-N	244.990	-0.561	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785097	FWQWQICCNZADOD-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247786398	AALQEZTZEUZREM-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247796810	CYAGMYBYEUJIHY-RXKWGBCNSA-N	239.080	-0.610	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2247798534	VETFSRHVIGHYGG-PEBLOWIWSA-N	241.096	-0.485	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCCC[C@@H]1CO	2247799584	FUUKCCAFAVBBFR-BBBLOLIVSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1C	2247801205	YHZPXAAFAJSWAQ-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
O=C(NCc1cncc(F)c1)[C@H]1C[C@@H]1B(O)O	2247806057	DAFYQYSRQGOIPC-IUCAKERBSA-N	238.027	-0.300	50	10	BBGE	
Cc1coc(NC(=O)c2cc(B(O)O)c[nH]2)n1	2247846992	PUHYUYFEYANDDN-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CCCc1ncc(CNC(=O)C#CB(O)O)o1	2247849218	XFLGFKNUSKFMLA-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
O=C(NC1(CCO)CCCC1)[C@H]1C[C@H]1B(O)O	2247852222	QLURAVJCUDVHMI-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@H]2C)c1	2247854033	WHQDVIMDSAJTMS-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1coc(B(O)O)c1	2247854625	GDIUNSQFBHWIDM-MRVPVSSYSA-N	235.048	-0.511	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(CCO)CC1CC1	2247859340	MCZCBRZWFIMKBZ-UHFFFAOYSA-N	241.096	-0.530	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)ccn1	2247860031	QVCZDKREUQQHJU-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ncccc1B(O)O	2247868126	CSPBXWHEVYDTMB-MRVPVSSYSA-N	236.080	-0.368	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1ccoc1B(O)O	2247868404	FXLCICBZGYEZCC-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CCC2)on1	2247877282	FMVLWKBXEDBACC-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
CC[C@H](CCC(=O)O)NC(=O)C1(B(O)O)CC1	2248574895	WARNAIVWXVRHCY-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2248575035	XWXCTYYYBVDDFB-XUTVFYLZSA-N	241.052	-0.924	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248590124	ZIJIOLQASXMQNG-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1cc(B(O)O)co1	2249427987	MOGZOZVPGWOGOR-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCCC#CB(O)O)CCO1	2250001775	BOEMZMAZPFAYLB-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3(C)CC2C3)n1	2254579192	NXOZMHWEWUMQPW-UHFFFAOYSA-N	248.091	-0.241	50	10	BBGE	
Cc1cnc(CCNC(=O)C#CB(O)O)c(C)c1	2255459691	KJPYHHFCKLOQSL-UHFFFAOYSA-N	246.075	-0.627	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]1C1CCC1	2255491097	RQCAGXKNXUIDPO-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@H]2C1	2255513965	AWVSXNSADGGOCV-DTORHVGOSA-N	249.050	-0.403	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1[C@H]2CCC[C@H]1CC2	2255551545	ZDUQGXJDEMSTQU-YUMQZZPRSA-N	249.079	-0.753	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2cc(F)ccc2C1	2255672183	CACKWXVKUQUYLK-UHFFFAOYSA-N	247.034	-0.274	50	10	BBGE	
CCC/C=C/CNC(=O)c1cncc(B(O)O)c1	2255734855	IPOVMWJVQGLXMZ-SNAWJCMRSA-N	248.091	-0.153	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncc(B(O)O)cn2)[C@H]1C	2255781350	MESZTPYPOOIGAE-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1c[nH]nc1B(O)O	2255788191	LDZBBZPRZNXSJP-WRWORJQWSA-N	249.079	-0.991	50	10	BBGE	
CC(C)(NC(=O)c1nccnc1B(O)O)C1CC1	2256054936	GNUZXHRRQQMWDE-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C#CCCC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2256597214	DOODGQBJURWLAE-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(B(O)O)c(C)c1	2258261385	DZIXOBVPAVICDP-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369841	HIYOZPZUHUIKSZ-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCOCC1	2298370228	SHXJPIOYSXSGJV-QNSHHTMESA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@@H](B(O)O)C1	2298376917	WYPBXNHLQKZXQK-CVPUBMOQSA-N	239.080	-0.325	50	10	BBGE	
CC[C@@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463609	OHRSSQGXROCSOJ-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
C=CCNC(=O)c1cc(F)c(B(O)O)cc1O	2301378984	NCUWEJNOWKCBPT-UHFFFAOYSA-N	239.011	-0.873	50	10	BBGE	
C[C@H](CCN)Nc1ccc(C=O)c(B(O)O)c1	2301420710	KLPUKJNOFZCESM-MRVPVSSYSA-N	236.080	-0.672	50	10	BBGE	
C#CC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2301453449	VZVBBNSEQBTTEV-UHFFFAOYSA-N	229.044	-0.752	50	10	BBGE	
O=C(NCB(O)O)Nc1ccc2ncoc2c1	2302270800	KPZPQRHAYLOLEW-UHFFFAOYSA-N	235.008	-0.039	50	10	BBGE	
Cc1c[nH]nc1C(=O)N1CC[C@@](C)(B(O)O)C1	2303109851	VKRIZECSVFSHFV-SNVBAGLBSA-N	237.068	-0.203	50	10	BBGE	
CN(CC(=O)NN)Cc1cnc2c(c1)CCC2	2303195884	GJKLPRWCCCFXGN-UHFFFAOYSA-N	234.303	-0.008	50	10	BBGE	
CCc1nccn1-c1ccc(B(O)O)cc1C#N	2317135485	HPOYWDSOGQQRRT-UHFFFAOYSA-N	241.059	-0.014	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(C=O)c(B(O)O)c2)CN1	2317350712	XFSAENPIGATYLH-KWQFWETISA-N	249.075	-0.692	50	10	BBGE	
C[C@H](CC(=O)NN)NCCCN1CCCC1	58855673	AFHQJRFYDPHTGF-SNVBAGLBSA-N	228.340	-0.170	50	10	BBGE	
CN1CC(=O)N(CCCCCC(=O)NN)C1=O	71292149	AIUFRXLGVPXQON-UHFFFAOYSA-N	242.279	-0.569	50	10	BBGE	
Cc1nc(CS(C)(=O)=O)sc1C(=O)NN	82420441	QAGWEOUJZVEUPJ-UHFFFAOYSA-N	249.317	-0.400	50	10	BBGE	
NNC(=O)c1cc(Cn2cccn2)on1	82468449	CLOLUJZQBWIIST-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
CCCN(CCO)[C@@H](C)CCC(=O)NN	82469876	YGNYJIQSQYYNNC-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CCNC(=O)CNC(=O)CBr	82506462	HNMQQLLYELFVHD-UHFFFAOYSA-N	223.070	-0.366	50	10	BBGE	
CCN(CC)C(=O)CN(C)CCCC(=O)NN	110593636	SBUSJEHEABZTML-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(CCO)CC1	132470787	YXJPQYDKKFPCAR-VIFPVBQESA-N	217.700	-0.273	50	10	BBGE	
COC(=O)[C@H]1CC(=O)NN(C(=O)[C@@H](C)Cl)C1	170278074	OKWIISDLPSGYMF-RITPCOANSA-N	248.666	-0.334	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H](CC(=O)O)C(=O)O	170312648	UBBXBIQEWFUAPC-WHFBIAKZSA-N	237.639	-0.095	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccccc1OC	193130001	OLERFYYRAFOETC-UHFFFAOYSA-N	237.259	-0.324	50	10	BBGE	
NNC(=O)C[C@@H]1CCCS(=O)(=O)C1	214735448	QCLLLGGQCXSCMV-LURJTMIESA-N	206.267	-0.809	50	10	BBGE	
C[C@@H]1NC(=O)[C@@H]2CNC(=O)[C@H]2[C@H]1Br	306895554	NBTUSYZSWWLMGP-KCDKBNATSA-N	247.092	-0.370	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1cc(=O)n(C)[nH]1	307062528	PDMAUPBSCIINGC-YFKPBYRVSA-N	217.656	-0.043	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)CCl)C(N)=O	382312758	WSKNVKCQAUKPPD-SCSAIBSYSA-N	221.644	-0.685	50	10	BBGE	
O=C1CCC(=O)N1Cc1ccc(B(O)O)cc1	382743544	LTRUUFDVEPNHTQ-UHFFFAOYSA-N	233.032	-0.985	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CCCC(=O)NN	385918784	SLPJVOCALZCVRB-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)c1cc(=O)n(CCC(=O)NN)cn1	395619292	LZNQYBLFTKIHTK-UHFFFAOYSA-N	224.264	-0.253	50	10	BBGE	
O=C(CCCl)c1cc(CO)ccc1B(O)O	396039202	ISWIHHOWBDFAAI-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
CCC[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396451227	IZWVNNPZCBIRSQ-QWRGUYRKSA-N	223.081	-0.473	50	10	BBGE	
Cc1ocnc1CN1CC(=O)OC(=O)C1	397934726	GZGMLOIFHGVKFA-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
NNC(=O)C(=O)N1CCC=C(Br)C1	404362169	VPMGWCSQQZFNFF-UHFFFAOYSA-N	248.080	-0.513	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@H]2CCOC2)c1	405038379	VAVAAFJFRLUXTL-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
CN(C)C(=O)N(C)Cc1ccccc1B(O)O	405130317	FSCOVBNSZDIPBQ-UHFFFAOYSA-N	236.080	-0.520	50	10	BBGE	
CC(C)(C)NC(=O)Nc1ccnc(B(O)O)c1	405133391	HZPLLZDFYULJOT-UHFFFAOYSA-N	237.068	-0.319	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584939749	MOWIHIAXXOPPLI-XCBNKYQSSA-N	219.049	-0.495	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H](C)C1O	688122475	QROQQLKRSXMMHN-BWZBUEFSSA-N	215.297	-0.687	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1C1CCC1	688852316	PQWGKBAYFSIDLF-MRVPVSSYSA-N	211.265	-0.233	50	10	BBGE	
CC[S@](=O)Nc1cccc(B(O)O)c1F	690070922	LINCYUGDKNABPF-HNNXBMFYSA-N	231.057	-0.399	50	10	BBGE	
N#CC1(O)CCN(CC(=O)NCC2CC2)CC1	692113877	MDGHEUWMGJOBMW-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
Cn1nnnc1N1CCC(O)(C#N)CC1	692132028	KWJJWEXAZLCUNB-UHFFFAOYSA-N	208.225	-0.935	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(C#N)CC1	693913774	YXVPKRRLYOHDAA-SECBINFHSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1ccn(CCCN2CCCC2)n1	694275493	IPXVFEUGCWVPIU-UHFFFAOYSA-N	223.085	-0.951	50	10	BBGE	
Cc1cc(CN(C)C(=O)C(=O)NN)ccn1	703129639	POWZKDBJJWBZGM-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
CCC1(O)CCN(C[C@H](C)C(=O)NN)CC1	707246740	HNJLXEDVFWSREY-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)C(=O)NN	707279470	UFKGJSLWMJYAEV-SECBINFHSA-N	215.253	-0.996	50	10	BBGE	
O=C(CCl)NC(=O)N[C@]12COC[C@@H]1C2	718111176	KPBCEMJSYNPNLG-YLWLKBPMSA-N	218.640	-0.160	50	10	BBGE	
C[C@@H]1C[C@@H]1COc1cncc(B(O)O)c1	722897654	QWMKCAYOAWHFAH-HTQZYQBOSA-N	207.038	-0.204	50	10	BBGE	
Cc1c[nH]cc1C(=O)NNC(=O)c1cnn[nH]1	729457701	MXZNFULFSKOEPX-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)[C@H]1CCOC1	745208359	OICOKVFXQHDACH-VHSXEESVSA-N	242.275	-0.070	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H](OC)[C@@H]1CCOC1	854163391	SZVLXKAIXJKMDX-HTQZYQBOSA-N	246.263	-0.185	50	10	BBGE	
CNC(=S)N(C)NC(=O)CN1CC[C@H](C)C1	854920668	GVWKVYBQDJRLJN-QMMMGPOBSA-N	244.364	-0.205	50	10	BBGE	
CNC(=O)NC[C@H]1COCCN1C(=O)CCl	1331844936	BGZYUUFXIMAHEM-ZETCQYMHSA-N	249.698	-0.618	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1ccnnc1	1469120120	IEKSGVPOCZKMLB-UHFFFAOYSA-N	236.231	-0.560	50	10	BBGE	
O=S(=O)(CCCO)NC[C@@H]1C[C@H]1Cl	1883556510	ZLGYVCHTOJEBSP-NKWVEPMBSA-N	227.713	-0.085	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883645546	PTHIZCVTXADXGG-YTLHQDLWSA-N	207.657	-0.528	50	10	BBGE	
CS(=O)(=O)CC(=O)NCCC#CCCl	1892474606	OGGCDBLTBIKCBI-UHFFFAOYSA-N	237.708	-0.221	50	10	BBGE	
CNC1(C(=O)NC[C@@H]2C[C@H]2Cl)COC1	1893087437	AZFAKFXJOPEBKY-NKWVEPMBSA-N	218.684	-0.282	50	10	BBGE	
N[C@H](CO)c1cn(C[C@H]2C[C@@H]2Cl)nn1	1893097995	GKQCWJRXAKKAGB-DSYKOEDSSA-N	216.672	-0.103	50	10	BBGE	
O=C(CC1(O)CNC1)NC[C@@H]1C[C@H]1Cl	1893127166	GGWXSKRURPTJJQ-NKWVEPMBSA-N	218.684	-0.546	50	10	BBGE	
O=C(CCl)NC(=O)N1[C@@H]2COC[C@H]1C2	1895815952	INTWJNYCRSNTIV-OLQVQODUSA-N	218.640	-0.066	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@@H]2C[C@@H]21	1897283379	ISKOZEMADJYXFM-BBBLOLIVSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1COCC1(C)C	1901128456	JPTJAIKRLHZOJT-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@](C)(CN1CC2(COC2)C1)C(=O)NN	1902715789	KONJDCPEAGJIQH-JTQLQIEISA-N	227.308	-0.275	50	10	BBGE	
C[C@H](Sc1cc(B(O)O)c(F)cn1)[C@@H](C)O	1903005664	JSFHYZBRQOJGSV-RITPCOANSA-N	245.084	-0.238	50	10	BBGE	
C[C@H](OC[C@H]1CCc2nccn21)C(=O)NN	1904709411	KLZFADLODCALNY-JGVFFNPUSA-N	224.264	-0.235	50	10	BBGE	
CC[C@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1906179086	ZROZBMYYRXUIFJ-INTQDDNPSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CC(F)(F)C(=O)NN	1907894254	SIBDZOHVFDDYCZ-BWZBUEFSSA-N	249.261	-0.279	50	10	BBGE	
C[C@]1(CO)CCN1C[C@@H]1CC[C@H](C(=O)NN)C1	1908357229	GFGIHPOFTYHXKT-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CC[S@](C)(=O)=NCc1nc(C(=O)NN)co1	1913891018	ZEMRFMDLFSTEAA-INIZCTEOSA-N	246.292	-0.104	50	10	BBGE	
C[C@H](CN1CC[C@H](O)C12CCC2)C(=O)NN	1914396485	OAQHPVGFZJEMQU-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOCC12CC2	1915586902	CIQHKBQVBRWYJL-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CCNO2)CC1	1917049334	UZQSEELRDGCEKU-SECBINFHSA-N	207.233	-0.038	50	10	BBGE	
N#CC1=CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1	1917059959	HRJALCZAMWPQQC-ZJUUUORDSA-N	242.300	-0.700	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(CCC[C@H]2O)C1	1918418370	GIYAEZVLFDWAQE-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2C[C@H]2C1=O	1927915450	HBWRXOCMZHMNCL-RULNZFCNSA-N	209.249	-0.909	50	10	BBGE	
CCCn1nccc1C(=O)NCB(O)O	1930804940	QPLNXSSFOIZOIE-UHFFFAOYSA-N	211.030	-0.965	50	10	BBGE	
CC1(C(=O)NNC(N)=S)CC(F)C1	1932852851	VSSXCJJJAUDJCJ-UHFFFAOYSA-N	205.258	-0.011	50	10	BBGE	
CO[C@@H]1CCO[C@H](CNC(=O)NN)C1	1933445726	PFFQINJSKLZDBX-RQJHMYQMSA-N	203.242	-0.647	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@@H](C)C(=O)NN)C[C@H]21	1935840562	VMJMZZGPKYTCRU-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C(C)(C)CCO	1935942410	QATWQWHGGIGHKK-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CC[C@H]1C2	1936085213	PRWMBPDBIFKATC-LPEHRKFASA-N	224.308	-0.998	50	10	BBGE	
CN1CC(N(C)c2nc(CCl)nc(=N)[nH]2)C1	1936510229	JYRRKCXTPAZASQ-UHFFFAOYSA-N	242.714	-0.227	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@]2(CO)C1	1937052425	ASOZXGRIHVHMFG-MWLCHTKSSA-N	227.308	-0.539	50	10	BBGE	
Cc1cnn(C)c1CN(C)[C@H](C)C(=O)NN	1937834160	ZJTMSJHNBDCEML-MRVPVSSYSA-N	225.296	-0.461	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CN(C)C[C@]2(C)C1)C(=O)NN	1940669540	LFEDFVXVLADMIX-JBLDHEPKSA-N	240.351	-0.504	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@@H]21	1940728637	XDLKBEMVAAPELM-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CCCn1ccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1941088066	OQOQXZQAQNBANP-BDAKNGLRSA-N	238.291	-0.314	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2OCC[C@@H]2C1	1941093889	JIRWXUGPBGIDJD-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)C[C@H]2C1	1944029893	PYTYLIIEABBJMI-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cocn1	1944181457	NYRPJTHVMONDPH-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1cncc(B(O)O)c1	1947086124	NMTRNMZFOUJOCT-GZMMTYOYSA-N	237.064	-0.435	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@H]1CCl	1954198662	ZRVJUXPCMKNTSA-WDSKDSINSA-N	201.661	-0.081	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(F)F)C(=O)C(=O)NN	1958562430	BFDNNMRLGFUCHM-CRCLSJGQSA-N	221.207	-0.664	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(N(C)C)C1	1958750245	WLYGCKWHURUVEP-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	1961395114	ABKRREXVCTXJBG-HSUXUTPPSA-N	218.996	-0.594	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CCCC(=O)NN)C2	1976819906	CZRQOWLMCPBRIV-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC)C[C@@H]1C	1977147240	KLNLUXYNRJDNOA-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC(C)CO[C@@H](C)Cn1ccc(B(O)O)n1	1979007134	ONCMXXKXUHUZTH-VIFPVBQESA-N	226.085	-0.376	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1	1980817100	RQYKAHHMTJHAHT-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC12COC2	1981143869	PSIZETSDVWIXEN-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)[C@H]1C	1981409764	RGUOLMIVKNTSTI-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@@H]2C1	1981423279	BLPQMGSSGAOPKN-DTWKUNHWSA-N	218.065	-0.392	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ncccc1B(O)O	1981424437	SXIBIIXSJITHSV-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCSCC2)n1	1981469561	UZKYHDHYOAWETH-UHFFFAOYSA-N	239.109	-0.982	50	10	BBGE	
CO[C@@]1(C)CCN(c2nc(B(O)O)cs2)C1	1981470836	FDAVABQAAZOJQK-VIFPVBQESA-N	242.109	-0.562	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSC1CNC1	1984160992	WYLWWZZJLWSFIG-UHFFFAOYSA-N	241.320	-0.771	50	10	BBGE	
CC1(C)CC(NC(=O)C(=O)NN)(C(F)F)C1	1984665827	XMGMFCJTCCGENK-UHFFFAOYSA-N	235.234	-0.084	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@H](n2ccnc2)C1	1986221085	JKYQHKJGHBJROU-KYZUINATSA-N	224.264	-0.017	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1987530921	JLEXIPOCWNALLK-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
Cc1noc(C)c1C(=O)NCC=CB(O)O	1991331317	OIAVEGRRDXIUGP-UHFFFAOYSA-N	224.025	-0.411	50	10	BBGE	
CCn1cccc1C(=O)NCC=CB(O)O	1991336837	KWIOCWMFXXOYEP-UHFFFAOYSA-N	222.053	-0.194	50	10	BBGE	
C=C(Cl)CNC(=O)c1ccccc1B(O)O	1992836144	JKYFYMLNIXIVLR-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
Cn1ncc2c1CN(CC1(C(=O)NN)CC1)C2	2003027196	LHVWWHCHIMIMQF-UHFFFAOYSA-N	235.291	-0.494	50	10	BBGE	
CCC[C@H](C(=O)NN)N1Cc2cnn(C)c2C1	2003028164	TWZUKXKVRSBWDM-SECBINFHSA-N	237.307	-0.106	50	10	BBGE	
CN(Cc1nn(C)cc1C(=O)NN)CC1CC1	2003505801	IJDQHSJJUUGIML-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
C[C@H]1C[C@@]1(C)CN(C)c1ncncc1B(O)O	2004916429	LODNOIYZPMTZER-KWQFWETISA-N	235.096	-0.361	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@@H]1C(F)F	2006816708	KFRLADPWGMLVEQ-BWZBUEFSSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1OCc2ccccc21	2012111656	XTNCFLXDHIMHMX-SECBINFHSA-N	235.243	-0.636	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC(CO)C2)C1	2013608029	GWHONWVBPPIKDF-DTWKUNHWSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1CCCOC1	2014928145	DGFHBAHDLZHCJM-QMMMGPOBSA-N	241.027	-0.542	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCOC[C@@H]2F)nc1	2020497382	UUBVZZQUMAKMSA-DTWKUNHWSA-N	241.027	-0.733	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@]23CCCOC3)c1	2021312658	QIQFRPJNNWBYKQ-GXSJLCMTSA-N	236.080	-0.620	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccc(B(O)O)cc1	2022196771	RKQQRCZWRYDQIL-UHFFFAOYSA-N	237.064	-0.174	50	10	BBGE	
Cc1nc(C)n(Cc2cncc(C(=O)NN)c2)n1	2027474245	GWNPNUZZZYYQEM-UHFFFAOYSA-N	246.274	-0.058	50	10	BBGE	
Cc1ncc(C(=O)Nc2cccc(B(O)O)c2)o1	2031814267	XSUOLUYAKSRDPJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCOc1cc(C)cc(B(O)O)c1[N+](=O)[O-]	2060025288	OXOWRWTVAMNAQC-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC[C@H]1C1CC1	2071769534	OPNNSIZFMATSJI-QWRGUYRKSA-N	247.107	-0.219	50	10	BBGE	
Cc1ccc(CN2[C@H]3COC[C@H]2C3)cc1B(O)O	2077829439	OZDFAXMFCSBRSV-VXGBXAGGSA-N	247.103	-0.352	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)n1	2086988845	BISTYEDHYKADJN-FNCVBFRFSA-N	246.075	-0.502	50	10	BBGE	
C[C@@H]1CN(Cc2nscc2B(O)O)C[C@H]1C	2211138065	OWSJHMAELFCQFZ-HTQZYQBOSA-N	240.137	-0.089	50	10	BBGE	
CON(c1nccc(B(O)O)c1F)C(C)C	2212604906	ULTQTOSFZZGTGF-UHFFFAOYSA-N	228.032	-0.323	50	10	BBGE	
CC(C)[C@H](CN)Nc1cc(B(O)O)ccn1	2212610917	RCRJEVJFCBFUOW-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
CC[C@@H](C)CCN=c1ncc(B(O)O)c[nH]1	2212611760	CTDJXKRPDLTKLK-MRVPVSSYSA-N	223.085	-0.574	50	10	BBGE	
OB(O)c1cnc(Nc2cccnc2)nc1	2212611823	DUHQAJILHLWOND-UHFFFAOYSA-N	216.009	-0.705	50	10	BBGE	
CN(C)C1(C)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215778429	ZCLNWCGFJDAUGO-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1Nc1ncccc1B(O)O	2217173898	UWGFUFUSLAWCHV-VHSXEESVSA-N	235.096	-0.734	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3cc(B(O)O)ccn3)C[C@@H]21	2217176271	ULEQJWGHHMCGOD-FXPVBKGRSA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1ccc(N2CCC2)nc1C(F)(F)F	2217181037	XDEPYWUGHQPPAB-UHFFFAOYSA-N	245.997	-0.010	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC[C@@H]2F)c1F	2217182582	FLHFIXGNWMBZOT-NKWVEPMBSA-N	244.006	-0.951	50	10	BBGE	
N[C@@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2217183086	FGIMBUIXKURMGP-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
CC1(C)C[C@@H](CNc2ccc(B(O)O)cn2)O1	2217185443	XMKAOWOSADPHOH-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
CC1CC(CO)(Nc2ccc(B(O)O)cn2)C1	2217185650	ZUUADCQTGSOABE-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
C[C@H](N)CCCCOc1ccc(B(O)O)cn1	2217187704	COFLYUXBOJHJOX-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)CCCN1	2217192955	KLOJESQJDFRFKA-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1nccc(B(O)O)c1F	2217193792	XOOBGNJUROEBRZ-XPUUQOCRSA-N	240.043	-0.970	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCOC[C@@H]2F)c1	2217194357	VCLZJDXZOJCHDA-IUCAKERBSA-N	241.027	-0.733	50	10	BBGE	
COC[C@@H](Nc1ccc(B(O)O)cn1)C(C)C	2217197209	KYVOYFIPILTLBB-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2217198569	CSQPLEGVGQFHIF-DBPGGULWSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC[C@H](F)C2)[nH]c1	2217204069	DVOVEVDGKRSFFS-WPRPVWTQSA-N	238.071	-0.267	50	10	BBGE	
C#C[C@@H]1COCCN1Cc1cccc(B(O)O)c1	2221481856	CSYZNVFAKITJEL-CYBMUJFWSA-N	245.087	-0.800	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@H]1CCCNC1	2223629000	SKULHKLIPIPJBL-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC12CCC(CC1)C2	2224029225	HORXMQVZCGYGPB-UHFFFAOYSA-N	248.091	-0.497	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cscc1B(O)O	2243346815	DECXTZMQHNPEKK-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C#CB(O)O)[C@H](C)C1	2243356383	GYPAOMLEFWHOMC-BBBLOLIVSA-N	223.081	-0.057	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1occc1B(O)O	2243363557	ITWPHBGAWWNCLC-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2243366090	XJEHDTDHQDHPCR-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C=CC[C@H](CO)NC(=O)C1CC(B(O)O)C1	2243382725	RBUOFMKVKBWVLH-AMDVSUOASA-N	227.069	-0.707	50	10	BBGE	
CC(C)C1(O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243382736	RDUCXQKEMCWWSR-YUMQZZPRSA-N	227.069	-0.921	50	10	BBGE	
CCn1cnc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1	2243391929	PDABDBLLUGADHH-BQBZGAKWSA-N	223.041	-0.296	50	10	BBGE	
CC1(C)CC=CCN(C(=O)C#CB(O)O)C1	2243401201	NTODDRNQSWCPII-UHFFFAOYSA-N	221.065	-0.184	50	10	BBGE	
C#CCCCNC(=O)c1sccc1B(O)O	2243407082	LGGJJBXCHLVQJL-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C[C@@H](CCN(C)C)NC(=O)C1(B(O)O)CC1	2243411739	ZFAHTMVHLQTQOB-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
CCON(C)C(=O)c1nc(C)sc1B(O)O	2243413967	QQZFZRBTZGFRSW-UHFFFAOYSA-N	244.081	-0.845	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCC[C@H]1CO	2243419868	IFKALECNNMFDIK-CIUDSAMLSA-N	227.069	-0.777	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cocc2B(O)O)[C@H]1C	2244221481	MNSXMKUMSKARMB-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCOC1	2247760353	GYSUPXLLVZCHSV-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](O)C(F)(F)C1	2247786087	VLFUAGMATWBJNT-XVMARJQXSA-N	249.022	-0.922	50	10	BBGE	
CN1CCCC12CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247806158	MIMSQSOMWLCGCA-IUCAKERBSA-N	238.096	-0.844	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1[C@H]2CO	2247808554	LPZXVJWBQNIWEY-VFCFLDTKSA-N	239.080	-0.921	50	10	BBGE	
CC(C)(O)C1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887093	KDQYNGJNIACEQO-PEBLOWIWSA-N	241.096	-0.485	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC2(C)C)oc1B(O)O	2247892114	ULOGOYIVYGBDQL-QMMMGPOBSA-N	237.064	-0.204	50	10	BBGE	
CC(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1=O	2247898526	FGLGVPJSYLROMH-XHNCKOQMSA-N	239.080	-0.120	50	10	BBGE	
Cc1c(COCCN(C)C)cccc1B(O)O	2248219751	BGRFWYXNNMXLNG-UHFFFAOYSA-N	237.108	-0.247	50	10	BBGE	
CN(CCCC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248574652	UBNMVHDJPKXCDX-OCAPTIKFSA-N	243.068	-0.437	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2248579222	VBSLBPMBIRUMCO-ZCFIWIBFSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H](CF)N(C)CC12CC(C(=O)NN)(CO1)C2	2249274706	NXOZBQXKJMYLIG-PUSIOWJLSA-N	245.298	-0.185	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249426802	ADYYQMVKBAPMGJ-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H]3C[C@H]2CO3)c1	2254485541	DJMGYPFCZQHFIF-LSJOCFKGSA-N	248.091	-0.259	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2C(=O)C#CB(O)O)o1	2255469119	KZNWUOHFUUIYOQ-QMMMGPOBSA-N	249.035	-0.943	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC[C@H]2C[C@@H]21	2255498142	NPCNTRKIOMLSJR-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cc(F)ccc1B(O)O	2255502256	GEZCEQDIRBUHTN-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(C)cc1B(O)O	2255512254	XDTPNUCWDHWHDT-SNVBAGLBSA-N	243.071	-0.477	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ncccc1B(O)O	2255518837	PJFZYYWAQIAQSD-MBTKJCJQSA-N	246.075	-0.710	50	10	BBGE	
C#CCN(C(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255577131	QJOWQNCXMACKRR-UHFFFAOYSA-N	247.059	-0.494	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1cc(B(O)O)c[nH]1	2255664836	WXVUOWUJBSOBOV-QMMMGPOBSA-N	248.091	-0.386	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCC2=O)c1	2255736747	SGLGEHQEAMATGU-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC23CCC3)oc1B(O)O	2255787456	ZMQYGHIUHAHKPZ-SECBINFHSA-N	249.075	-0.060	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1O	2255954008	RMGDHGXJDNWXTK-MRVPVSSYSA-N	249.075	-0.376	50	10	BBGE	
Cc1cccc(NC(=O)C#CB(O)O)c1C(=O)O	2256918424	KIJASCSTDUUIDB-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2C)ccc1B(O)O	2260823395	CSGWAIMDYPGIAG-KWQFWETISA-N	247.103	-0.053	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)cc1F	2263395405	OWSTXBQOKVRTBE-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN1CC[C@@H](N(C)C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165441	BPBBIPMPEGDDJD-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
COC[C@@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)OC	2298369402	SZASXBSBZRUWAB-HLTSFMKQSA-N	245.084	-0.983	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	2301397053	KDBGMPJLVXAVQN-VHSXEESVSA-N	242.323	-0.978	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C[C@@H]1C[C@H]1C(=O)NN)C2	2301478924	JXTWTPXIZDIVHN-KNDBQHFLSA-N	239.319	-0.542	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C[C@@H]2CCOC2)C1	2303110922	FHOFZXZWXMZECU-GXSJLCMTSA-N	241.096	-0.122	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]21	2312856613	DRJORRUNUNKYRA-KUNJHIDRSA-N	249.075	-0.974	50	10	BBGE	
C=CC[C@@H](Oc1ncccc1B(O)O)[C@H]1CCN1	2314244947	IGTZCJUVOGUOKU-GHMZBOCLSA-N	248.091	-0.553	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CC[C@@H]1N	2317164613	BPUKJRRCUZMIJU-KWQFWETISA-N	245.091	-0.613	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317312513	IHVHFELBIHDJQN-VXGBXAGGSA-N	249.075	-0.232	50	10	BBGE	
CN(C)NC(=O)CN1C(=O)c2ccccc2C1=O	8032854	ZFLKZJLZFXOPMC-UHFFFAOYSA-N	247.254	-0.125	50	10	BBGE	
CC1(O)CCN(CC(C)(C)C(=O)NN)CC1	88023269	XOJWAEXWLDJODT-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CCN1CC[C@@H](CN2CC(=O)OC(=O)C2)C1	111217855	HQUCOSGEEZDBPP-SECBINFHSA-N	226.276	-0.286	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1CC(C)(C)C(=O)NN	122373886	NZFKPFSBAWTVSR-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1CCCCC(=O)NN	122379728	CHFAREYANCWGPI-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)[C@H](C)C1	127608558	JUMSWVITOFSVJV-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@@H](C(=O)NN)C(C)C	234370286	LPSJYSSCLDTIGK-DTWKUNHWSA-N	244.339	-0.685	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@@H](C(=O)NN)C(C)C	234385913	LPSJYSSCLDTIGK-RKDXNWHRSA-N	244.339	-0.685	50	10	BBGE	
O[C@H]1CN(CCCBr)C[C@H]1O	236573527	UJXFURHQKOYZKU-KNVOCYPGSA-N	224.098	-0.191	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@H]1C(N)=O	251252292	UTWXFYFSYJKBPV-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
C[C@H]1C[C@@H]2C(=O)N([C@@H](C)C(=O)NN)C(=O)[C@@H]2C1	253626588	GURDHQSCDIBYLF-DKXJUACHSA-N	239.275	-0.604	50	10	BBGE	
CN1CCC(COCC(=O)NN(C)C)CC1	258961225	GTQAQTDJAVTUEN-UHFFFAOYSA-N	229.324	-0.062	50	10	BBGE	
COc1ccc(C[C@H](N)C(=O)NN)cc1F	259028340	QZPXZRRWFYJFJZ-QMMMGPOBSA-N	227.239	-0.306	50	10	BBGE	
CN(N)C(=O)C[C@@H](N)c1ccc2c(c1)CC(=O)N2	259082217	OGPUJGROJLTSEX-SECBINFHSA-N	248.286	-0.097	50	10	BBGE	
CN(C)C(=O)C1=NS(=O)(=O)C(C#N)=C1	260065287	HMTRZEFQWIVPGS-UHFFFAOYSA-N	213.218	-0.734	50	10	BBGE	
CNC(=O)NNC(=O)[C@]1(C)CCCO1	267956332	JEMXOLJYCUNCOX-QMMMGPOBSA-N	201.226	-0.484	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	300369576	JZBNNKKCHWMXIM-QYYLWSOASA-N	209.249	-0.863	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ccnc1	300751417	KNQQUZVTVPFDSP-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	306038012	RGFCCKXHSTUWAN-BVBIUWJJSA-N	239.319	-0.544	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1	306176641	WRDFSYNRLAXIKU-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
NC(=O)C(=O)N/N=C/[C@H]1CCSC1	307547146	LFGZNCCUDIKGHB-YRQANVMGSA-N	201.251	-0.673	50	10	BBGE	
CC(=O)NNC(=O)N[C@@H]1CCSC1	307577149	LJSDGCFRMOHINP-ZCFIWIBFSA-N	203.267	-0.158	50	10	BBGE	
CN(CCCC(=O)NN)Cc1nncn1C	309229176	SOOGPBADHMSZCT-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
CCN1CCCN([C@@H](C)C(=O)NN)[C@@H](C)C1	320680076	KZJCZGIHLPMSLD-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CCOC(=O)[C@H](O)CC(C)=NNC(N)=O	379698917	RABDUXMAGFEZKM-ZCFIWIBFSA-N	217.225	-0.655	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N)C(C)(C)C1	379718205	SVIGTLCQFBTXGY-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc(C(C)C)n1	381247226	NOEHWYFVDYJGSM-SSDOTTSWSA-N	227.268	-0.421	50	10	BBGE	
CN(CCCCO)C[C@H]1CC[C@@H](C(=O)NN)O1	384819607	LSEXIASHIMFGEP-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCCC1(F)F	390961733	NTJZWBRPFVWVNG-ZCFIWIBFSA-N	235.234	-0.082	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCNCC1	395591804	LQUFYSIBBAPBTP-MRVPVSSYSA-N	214.313	-0.704	50	10	BBGE	
Nc1ccc2c(C=O)c(B(O)O)sc2c1	396278457	VUMMBNBZYAIECD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=Cc1cc(B(O)O)cc2sc(CO)cc12	396335537	KZEGUPKRKHIVPJ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1cc(O)c2scc(B(O)O)c2c1	396375542	CXDXVJONIHKVII-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC(=O)Nc1ccc(F)cc1B(O)O	404916352	PAFCDQVTIFYVFA-UHFFFAOYSA-N	211.001	-0.146	50	10	BBGE	
C[C@H](Cl)C(=O)NCCN1C(=O)CCC1=O	405402960	XRNXQMVCNTWODC-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
CN1CCC(C(=O)NNC(N)=O)CC1	606275169	IVWQLPRWQCFSGL-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
N#CC1(O)CCN([C@H]2CCNC2=O)CC1	687805287	FSNWZVMAMZONLM-QMMMGPOBSA-N	209.249	-0.775	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)CC[C@H]1C	688752957	GGOXJGNJNWILAJ-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
N#C[C@@H]1CCN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	693991886	MJZGSUJLJFZIJY-AEJSXWLSSA-N	238.291	-0.631	50	10	BBGE	
Cc1ccc(CCn2ccc(B(O)O)n2)nc1	694226946	GJZZXTOQKRKBRZ-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
Cc1nn(CC[C@H]2CCOC2)c(C)c1B(O)O	694275256	HOAGTZDBXCDDEE-JTQLQIEISA-N	238.096	-0.394	50	10	BBGE	
COCC(COC)N(C)[C@H](C(=O)NN)C(C)C	702034853	ACUDUFSMHHSYEO-JTQLQIEISA-N	247.339	-0.406	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1CCOC[C@@H]1Cl	706685139	LELQZCGUDRKJGW-NKWVEPMBSA-N	242.728	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710474393	FGQXBYZFXQISEY-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](C(=O)NCB(O)O)[C@H]1CCCCO1	711862617	WRRSALACKNRVEE-HTQZYQBOSA-N	215.058	-0.680	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H](F)[C@H](F)C1	714517277	GUDQQIDCMABEDG-PHIMTYICSA-N	241.046	-0.142	50	10	BBGE	
CC(C)COCOc1cncc(B(O)O)c1	714563144	DJTWYGONHBHSGN-UHFFFAOYSA-N	225.053	-0.230	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@@H](O2)C1=O	719516495	VILNRPUWHKCPLW-HTQZYQBOSA-N	227.264	-0.854	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC([C@H](C)O)C1	719808003	SZXPZWVIFPBAOI-POYBYMJQSA-N	201.270	-0.933	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCS[C@H](CO)C1	720077188	YAOWZGJQCTZZNA-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
C[C@H](CN1CC[C@H]2[C@H]1CCCN2C)C(=O)NN	720445057	KEOYKWIHSXGJPX-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	770850354	BBUNYQLMGQBWKF-YUMQZZPRSA-N	230.264	-0.405	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)[C@H]1CCCO1)C1CC1	814344072	QKELJBDGDXYZHP-BDAKNGLRSA-N	242.275	-0.262	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C	863151241	IZNUUPCTRVXUJW-CSMHCCOUSA-N	239.275	-0.208	50	10	BBGE	
Cc1cc(=NNC(=O)[C@@H](O)C(C)(C)O)cc[nH]1	912981430	HSOCLWHPHHMNNB-SECBINFHSA-N	239.275	-0.613	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H](O)C2)n[nH]1	1295879488	GOFJLRDMCPWEGQ-KNVOCYPGSA-N	238.247	-0.750	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ccnn1C	1318244540	AUZZGJPXCXUZKA-UHFFFAOYSA-N	225.252	-0.228	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)C1=CCOCC1	1325056466	ZMEWTOYCNLOYTR-SECBINFHSA-N	240.259	-0.341	50	10	BBGE	
NC[C@@H]1CC(C(=O)NNc2ncccn2)=NO1	1328444147	XSVCCCGSNXKIFV-LURJTMIESA-N	236.235	-0.977	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H]1COC[C@H]1O	1556632319	GYSNFXYLPRHAES-AOZRHXBJSA-N	226.232	-0.694	50	10	BBGE	
O=C(NNC(=O)c1ccns1)c1cc[nH]n1	1557463583	JUEPYEVMOPQTHG-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)COc1ccsn1	1631070978	WHZJNKQFZWMHIW-SSDOTTSWSA-N	245.304	-0.134	50	10	BBGE	
NC(=O)CCC(=O)NN=c1cc[nH]cc1Cl	1638276578	NPZDINGIMWISSE-UHFFFAOYSA-N	242.666	-0.135	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NN	1879958800	XRPVSGNJCBZJNO-NTSWFWBYSA-N	233.268	-0.750	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NOCCO	1883027424	XFTFIUOEYQUSPW-ZCFIWIBFSA-N	231.701	-0.295	50	10	BBGE	
CC(C)OC(=O)NN(C)S(C)(=O)=O	1888572745	ZGKDRMLZYPUEGW-UHFFFAOYSA-N	210.255	-0.073	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CC[C@@H](B(O)O)C1	1891518355	ZJKHWNQLWRNDAC-FSDSQADBSA-N	201.006	-0.580	50	10	BBGE	
CSC[C@H](C)C(=O)NCC=CB(O)O	1892920614	SZKMFRGOAYHXEF-ZETCQYMHSA-N	217.099	-0.330	50	10	BBGE	
O=C(N[C@H](CO)CCCO)[C@H]1C[C@H]1Cl	1893462470	YSLQUVAXLCTJLE-BIIVOSGPSA-N	221.684	-0.137	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1895229887	YZVPFYIQYDIAEJ-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2[C@@H](CCC2(F)F)C1	1896498112	GKXZNXXSWCTHIP-NTSWFWBYSA-N	233.218	-0.520	50	10	BBGE	
Cc1cnc(CN2CC[C@H](B(O)O)C2)nc1	1902513470	RIJQXJXAYSWFMP-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
O=C(CN1CC[C@@H](B(O)O)C1)N1CCCC1	1902516390	SAGNERPDFPONSC-SECBINFHSA-N	226.085	-0.843	50	10	BBGE	
C[C@@H]1CN(Cc2nc(B(O)O)cs2)C[C@@H]1F	1902641207	LKVFGSXNBPCTFJ-RQJHMYQMSA-N	244.100	-0.387	50	10	BBGE	
C=C(COC[C@@H]1CCc2nccn21)B(O)O	1904735117	PHXNMRCTEGUISE-VIFPVBQESA-N	222.053	-0.045	50	10	BBGE	
OB(O)C1CCN(CCc2ncc[nH]2)CC1	1905361672	OOLRRZWCXXEHJB-UHFFFAOYSA-N	223.085	-0.109	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@]12CCC[C@H]1C2	1913605440	IXHWQLQNIFINCO-QPUJVOFHSA-N	246.075	-0.110	50	10	BBGE	
COC1(C)CN(CC(F)(F)C(=O)NN)C1	1927816433	MWXJDWUIGXHEBY-UHFFFAOYSA-N	223.223	-0.668	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2C[C@@H]2C1=O	1928141834	HBWRXOCMZHMNCL-XAMCCFCMSA-N	209.249	-0.909	50	10	BBGE	
ClCc1nnc(Cn2cnnn2)o1	1928695716	GGCRAYGOWCKGRK-UHFFFAOYSA-N	200.589	-0.157	50	10	BBGE	
C[C@H]1CCS[C@@H]1C(=O)NNC(N)=S	1930928331	OETOQCCLKGALFR-WHFBIAKZSA-N	219.335	-0.008	50	10	BBGE	
C[C@]1(CO)CCN1CC1(C(=O)NN)CC1	1932968140	ULMHVVWIYQYUOZ-SECBINFHSA-N	213.281	-0.787	50	10	BBGE	
O=C(Cn1ccnn1)N1CCOC[C@@H](Cl)C1	1937146243	MVUVPEGGDHIEGT-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CO)C1(C)C	1938473143	JVNDHYSOEPGMCD-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@]1(C)CO	1938799555	PZQABLYKGGUAAQ-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)C1CCOCC1	1940797331	KEJBLEOTUMSJDU-UHFFFAOYSA-N	243.307	-0.455	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)C2(CC2)C1	1944603387	CTYSBBBQDJRIIL-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](COC)(OC)C1	1946472654	CITYXWQWLYNKCV-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)C1CC1	1956963474	CNBDSWJORGJMND-UHFFFAOYSA-N	212.083	-0.188	50	10	BBGE	
C[C@H](O)[C@H](CO)NS(=O)(=O)CCCCl	1957186191	IUAMRJFJCFVSBJ-BQBZGAKWSA-N	245.728	-0.724	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNCCO)C1	1957319478	VUKFRAXWZNLBSW-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
CC[C@@H](COC)N(C)C[C@@H](C)C(=O)NN	1957482496	NDFUCDBMBNOQRH-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](CO)S(=O)(=O)N1CC=C(C#N)CC1	1957910327	HPTMXEACDZKXIL-MRVPVSSYSA-N	230.289	-0.147	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CC[C@H](O)CC1	1958634054	QVXNSUFQJTUSHI-KYZUINATSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]([C@H]1CCCOC1)N(C)CC(=O)NN	1960969752	ARXXURDCEROBDK-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CCN(OC)c1ncc(C)cc1B(O)O	1961719049	XJFIYPBWNFKPBQ-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSc1ncncc1N	1975753037	QFPRFBAAMBZKOA-WDSKDSINSA-N	239.304	-0.223	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ncon1	1976756872	ZGEAVXBKUOVOJH-BQBZGAKWSA-N	227.268	-0.484	50	10	BBGE	
C=CCS(=O)(=O)N1C[C@@H](C)OC[C@@H]1N=C=O	1979162980	JKMOSEVZBSCGPM-RKDXNWHRSA-N	246.288	-0.115	50	10	BBGE	
NNC(=O)C(=O)NCC1[C@@H]2CCCCC[C@@H]12	1979729952	GDJYCAUEDJAOOF-HTQZYQBOSA-N	225.292	-0.081	50	10	BBGE	
C[C@H](CO)SCc1c(C(=O)NN)cnn1C	1980595035	WIVJLJNHFZUKHW-ZCFIWIBFSA-N	244.320	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnn(C)n1	1981349091	QKJVKWLNSLGBIM-MRVPVSSYSA-N	226.284	-0.985	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)C1(O)CCC1	1987700123	YUJDLTZCGYLFIJ-LURJTMIESA-N	231.252	-0.870	50	10	BBGE	
C[C@H]1OC2(Cn3ccc(B(O)O)n3)CC1C2	1988149126	DQWRRMZLGIRTLQ-ZNFPMYQNSA-N	222.053	-0.870	50	10	BBGE	
COC[C@@H]1CCN(CC(=O)NNC(C)=O)C1	1990774490	JPSFMWZRFRXIIY-SECBINFHSA-N	229.280	-0.878	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)NC(=O)CCl)C[C@@H]12	1993441538	YGGSBLCVVHVFBI-RFZPGFLSSA-N	245.666	-0.876	50	10	BBGE	
CN(CC1(F)CC1)c1ncccc1B(O)O	1995036861	RDIWUVBWGKDKHX-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CO[C@@H](CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	2002971793	JJWHQLQNEWWNLT-CIUDSAMLSA-N	243.259	-0.700	50	10	BBGE	
CCN(C[C@@H]1CCOC1)[C@@H](COC)C(=O)NN	2003784711	MQVJWXUIRSJGND-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
Cc1cc(-n2cnc(C)c2C)ncc1B(O)O	2004989681	AAKISZPLVLBOTL-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1cc(C)n(-c2cc(C)c(B(O)O)cn2)n1	2005009593	PIGFIHPSGZQGQP-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
NNC(=O)COCCOCCN1CCCCC1	2007037044	UBYHXXJSYNOECM-UHFFFAOYSA-N	245.323	-0.505	50	10	BBGE	
Cc1cc(NC(=O)C2COC2)cc(B(O)O)c1	2007616428	SKFHNGOKXVIIFM-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
CCCOCCOc1ncc(F)cc1B(O)O	2014928404	IRQGXMJYGRNARD-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1[C@H]2OCC[C@H]12	2019209866	LZGWFWWTDBTNIH-KKZNHRDASA-N	241.291	-0.880	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CC(F)F)C1COC1	2019896535	BKRNGFDCFDWPNQ-SVRRBLITSA-N	249.261	-0.422	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CCCCO1	2020061861	LOYDRCKBSFCRFY-UWVGGRQHSA-N	239.080	-0.228	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCCC12COC2	2020927079	CSTUTHKMXAKHQI-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(OCCCO)C1	2026045322	QEVQDBLYCBDGRA-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COc1cccnc1	2050243835	KSZANJOGHNKYND-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@@]3(C)C2)n1	2050246056	YIZKRYRRMSMJMG-PELKAZGASA-N	249.318	-0.135	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC=C[C@@H]1CO	2056277058	KVINIQBCASQNLU-NEPJUHHUSA-N	247.298	-0.050	50	10	BBGE	
CC=C[C@H](O)C(=O)NN(C)C[C@@H](C)O	2059304548	AHIHLFYYTVTRGR-SFYZADRCSA-N	202.254	-0.733	50	10	BBGE	
CCOc1c(C=O)ccc(B(O)O)c1C	2060147526	JARNFTNQYKQKSF-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1c(B(O)O)ccc(C#N)c1F	2060174187	BEJNVNMOOQSWMG-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
CCOc1ccc(C#N)c([N+](=O)[O-])c1B(O)O	2060206587	ZVQROOFJQPUVAV-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN(CC12CC(CO1)C2)c1ccncc1B(O)O	2072861629	KIHFVAHOZPNDAK-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@]12CCOC2	2077648057	MCAXKQHIGCYDEJ-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC2(CC2)C1	2078404509	APNPQQHXQHZOEY-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1cccc(B(O)O)c1	2079012686	XXULZYCNJDMZRJ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@H]1C(=O)NN	2211838531	IHBHOMJCALXRRM-IVZWLZJFSA-N	229.324	-0.437	50	10	BBGE	
NNC(=O)CN1CC[C@H](OC(F)(F)CF)C1	2212390383	BVXQAAZUCXJGKF-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C1CSC1	2212615169	KTKJZAXYJDEHHZ-SSDOTTSWSA-N	238.121	-0.075	50	10	BBGE	
N[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2214593911	ZFRGXZNOASYJPH-LBPRGKRZSA-N	234.108	-0.711	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H]2[C@H]1CO	2215770675	CYIIWQDMZBZYBP-NZHYYXIDSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)C[C@@H](C)O	2217178735	AOWMRAPSEOUNBT-DTWKUNHWSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@H](O)C2)cc1B(O)O	2217179214	HZPPIDNLBNJYRM-KYZUINATSA-N	236.080	-0.971	50	10	BBGE	
Cc1cnc(N2CCOC[C@H]2C)cc1B(O)O	2217182727	GNVGPBMXAVQMKT-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1cnc(N(CCO)C(C)C)cc1B(O)O	2217182991	IATIEPCGOUWWKK-UHFFFAOYSA-N	238.096	-0.723	50	10	BBGE	
C[C@](CN)(Oc1ncccc1B(O)O)C1CC1	2217188689	RXTLDOYKZBVBBT-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
CCC(N)(CC)CNc1cc(B(O)O)ccn1	2217198568	CRJINSZMFCDGTC-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
OB(O)c1ccnc(NCc2ncccc2O)c1	2223638990	OHUAKYRIDBSTQJ-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](C2(O)CC2)C1	2223647407	ABAMDDMVRVCOMQ-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N[C@]23CCOC[C@H]2C3)cc1B(O)O	2223651419	BZSILWRLFBXZSC-SKDRFNHKSA-N	248.091	-0.339	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2223665600	HEBQLDUGPXHLDP-LHWRMGGRSA-N	242.087	-0.316	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C[C@@H]1C1CCC1	2224032834	VVAACFPJSAAIGB-MWLCHTKSSA-N	248.091	-0.641	50	10	BBGE	
C[C@@H](c1cc(B(O)O)cs1)N(C)C#N	2241558820	JFSZTALTOKFBGQ-LURJTMIESA-N	210.067	-0.098	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC=C[C@]1(C)CO	2242607916	CYBROZKWKLKULW-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1csc(B(O)O)c1	2243361779	HDOUOMOZGZEZBI-QMSLJYSESA-N	237.089	-0.434	50	10	BBGE	
CP1(=O)CCN(C(=O)C2(B(O)O)CC2)CC1	2243365467	MWVJHLCQDAOBMP-UHFFFAOYSA-N	245.024	-0.172	50	10	BBGE	
NC[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2243365765	RUYIBHKEJCDFJC-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
N#C[C@@]1(NC(=O)C2(B(O)O)CC2)CCSC1	2243365907	USIQNWMTWPICLE-QMMMGPOBSA-N	240.093	-0.491	50	10	BBGE	
CCCCN(C)C(=O)c1csnc1B(O)O	2243378032	LMEHMDYRCQTOJY-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cc(B(O)O)sn1	2243378550	VLEXCEYNPWRPFH-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
CC[C@@H](COC)NC(=O)C1CC(B(O)O)C1	2243396666	PHAHORZKNUGDEC-HACHORDNSA-N	229.085	-0.219	50	10	BBGE	
Cc1cc(C(=O)NCCF)ccc1B(O)O	2243397914	LJVRFDYIZFGUCU-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)c[nH]1	2243399593	NYOHBIQUDNXNKE-LURJTMIESA-N	228.032	-0.828	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCC[C@H]2C1	2243400753	HKZKMADCZANWIE-AOOOYVTPSA-N	221.065	-0.350	50	10	BBGE	
C#CC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2243404441	ODPOBAZGTLOJFJ-BDAKNGLRSA-N	221.065	-0.231	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2ncsc2C1	2243404816	UXDQIYDJLXEMCH-WDSKDSINSA-N	238.077	-0.152	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)C1(B(O)O)CCC1	2243409964	SBLDDBBLGOIHIE-VXNVDRBHSA-N	227.069	-0.323	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243409970	SFCXNPKPHNHCNX-QMMMGPOBSA-N	225.053	-0.545	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C1)O2)C1(B(O)O)CCC1	2243410267	YICBSYQGTDZXHZ-OCAPTIKFSA-N	225.053	-0.617	50	10	BBGE	
COCCCCCNC(=O)C1(B(O)O)CC1	2243411588	WRGXZHCYPXMRAP-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1CC[C@H]1C)B(O)O	2243411894	CEGWIXGHUZXJFT-APPZFPTMSA-N	247.125	-0.480	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243758683	JUXKTWFYHYROMO-ACZMJKKPSA-N	229.041	-0.781	50	10	BBGE	
CCC1CN(C(=O)c2cocc2B(O)O)C1	2244221854	IUPLWPQKKUOXCA-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
N[C@H]1C[C@H](Nc2cc(B(O)O)c(Cl)cn2)C1	2245912855	IKWAZMNQYTWOQK-IZLXSQMJSA-N	241.487	-0.684	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1cccc(B(O)O)c1	2246773070	WOPJPQPPWJPPBX-QMMMGPOBSA-N	234.064	-0.008	50	10	BBGE	
COC[C@H](C)Oc1nc(OC)ccc1B(O)O	2247230834	MDRWJZDIQCZAGM-ZETCQYMHSA-N	241.052	-0.816	50	10	BBGE	
O=C(NCC1CCC1)c1ccncc1B(O)O	2247721534	FPRHFKJHZANTFN-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
CC[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCN1	2247796822	CZBJWHRYCXSCHH-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1F	2247798619	VWANVMTVRKQLSV-XSPKLOCKSA-N	245.059	-0.565	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H](C)O1	2247798867	XWBBHIABUKAEEM-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
CC(C)CC1(O)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247799108	ZUOFARAJIGHXGD-RKDXNWHRSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247807029	GZENEMNNNUQUPY-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)c(C)n1	2247846844	NETYAIKVKJRZAZ-UHFFFAOYSA-N	234.020	-0.647	50	10	BBGE	
C[C@H](Cc1ccccc1)NC(=O)C#CB(O)O	2247849579	BPKVRMOSKYEQDV-SNVBAGLBSA-N	231.060	-0.251	50	10	BBGE	
C[C@@H](CF)NC(=O)c1cc(F)ccc1B(O)O	2247853316	KCQHXHHBDUGBDS-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1F)C1CC1	2247853393	LMWIXNNOKXCHJO-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)oc1C	2247854175	YGEMONDKBYRXDC-MRVPVSSYSA-N	235.048	-0.591	50	10	BBGE	
O=C(NCCc1ncno1)C1(B(O)O)CCC1	2247878700	PHBSWEYGUOHBOX-UHFFFAOYSA-N	239.040	-0.875	50	10	BBGE	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)C1(B(O)O)CC1	2247879443	VJEQIRYKSWUMHC-VXNVDRBHSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CCC[C@H](C1)N2	2247887480	OPNPTOWDBXCLLX-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2B(O)O)C1	2247893633	VURMNFHNUKXMMZ-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	2247896300	YDSHWMGQXAZRBR-RBXMUDONSA-N	241.096	-0.221	50	10	BBGE	
NC[C@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247897104	NZBSMQDJQMDJNN-OPRDCNLKSA-N	240.112	-0.563	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ccccc1B(O)O	2248397534	LXHXJWQDIXMFNH-UHFFFAOYSA-N	231.060	-0.036	50	10	BBGE	
Cc1n[nH]c(C)c1CC(=O)NCC=CB(O)O	2248414697	NSNXJYUAEXAECO-UHFFFAOYSA-N	237.068	-0.747	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2253271958	ZAFUZLBHPDNQIB-RNFRBKRXSA-N	242.084	-0.990	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2255465157	GOLNEIAXPZAQRD-HKLXJQGRSA-N	247.103	-0.105	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ncncc1B(O)O	2255501995	OWQJYXGJVUJOBI-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1c(F)cccc1B(O)O	2255508522	AJCKWDIEPIYYMK-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(N[C@@H]1CCC2(CC2)C1)c1c[nH]nc1B(O)O	2255554803	RJLSJEYBOXDUDW-SSDOTTSWSA-N	249.079	-0.848	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1c[nH]nc1B(O)O	2255555113	WKYMROWGPSEMJO-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCc1ccco1	2255690552	CLDHUYFMBANPFJ-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2cncc(B(O)O)c2)C1	2255710236	HWWOVNRPLXPRTL-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cc(B(O)O)cn2C)CC1	2255736558	PNBAVXMATCSGKW-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
CN(C(=O)c1nccnc1B(O)O)[C@@H]1CC1(C)C	2256049131	ZLPGJQLUEMBYAF-SSDOTTSWSA-N	249.079	-0.973	50	10	BBGE	
O=c1c(F)cccn1Cc1ccc(B(O)O)cc1	2257398782	BTFLNBKRSJENQL-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C(C)(C)C	2258137084	RTODWXVLKCXPHR-JTQLQIEISA-N	249.075	-0.263	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CCN1C	2298165477	DXADNDZAUANUSY-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2298368501	IMSQTJMPDXVAMG-JXUBOQSCSA-N	241.096	-0.341	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298368966	DQIQWUNKQVLYOM-QEYWKRMJSA-N	240.112	-0.375	50	10	BBGE	
CC[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)CC(=O)O	2298463405	ABSMVYXLMMVMPV-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@H]1CCN1	2303857358	DIQOEWSLSPRXKZ-IMTBSYHQSA-N	240.043	-0.970	50	10	BBGE	
COC(=O)NC1CN([C@@H](C)CCC(=O)NN)C1	2306928900	KOLMIWZBHAOBCC-ZETCQYMHSA-N	244.295	-0.815	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3C[C@H]2[C@H]2C[C@@H]32)nc1	2312614601	ZIGXSSXQJZUDIB-GUVHNANBSA-N	245.091	-0.387	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2	2312849822	WQNJZCUBGJJKMU-SFYZADRCSA-N	247.063	-0.977	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317163563	YFMLVKIZMVSNBM-CABZTGNLSA-N	246.075	-0.315	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CCC[C@H]2O)cc1B(O)O	2317313200	SYCPCAOGILNIAC-VXGBXAGGSA-N	249.075	-0.496	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)C[C@H]1CCO1	2318631943	NMXMESZUSJOUQJ-CYBMUJFWSA-N	249.119	-0.104	50	10	BBGE	
COC(=O)CC(=O)[C@H](Cl)C(=O)OC	1763383	KMWRXWZCNKWYSF-LURJTMIESA-N	208.597	-0.101	50	10	BBGE	
O=C(CBr)OC[C@@H](O)CO	33637243	OBIZXLAEEKEFMZ-BYPYZUCNSA-N	213.027	-0.722	50	10	BBGE	
CCCn1nc(C)cc(C(=O)NN)c1=O	82449808	PGYNNZZBANUFBY-UHFFFAOYSA-N	210.237	-0.435	50	10	BBGE	
CCOCCOC[C@H]1CC[C@H](C(=O)NN)O1	82463453	MGUVBXFULOSCGO-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1CCCO	82468752	XSPQEQXEFCOIGO-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1CCCO)C(=O)NN	82468756	APOVNCSPNQGEPD-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nc(N)cc(=O)[nH]1	82473195	CDLCPGYLBSEINV-BYPYZUCNSA-N	243.292	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(C)(O)CC1	88023282	WPLPPOJYJZQDMC-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(C(N)=O)CC1	104109780	DBBTXITXJJHNBJ-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
CSCCC(=O)NNC(=O)c1cnn(C)c1	117683539	BIXVMJSVOCAWEH-UHFFFAOYSA-N	242.304	-0.066	50	10	BBGE	
Cc1c(F)cc(C(=O)NC2CC2)cc1B(O)O	196711465	ZAWITYYIKZBCGU-UHFFFAOYSA-N	237.039	-0.294	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC(N)=O)CC(C)C	212064599	CTZWDDLPSFSKCO-SECBINFHSA-N	244.339	-0.412	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)CC#N	232419510	YQRKMSYIBHCXOE-YUMQZZPRSA-N	214.269	-0.775	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252846509	CQZHPCBHGLEGFP-AJBSGBCOSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[C@H]1O	253201977	USMLJFTVSKKOAZ-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1c([C@H]2CCCCN2)ccc2c1OCO2	258380699	NZWDSPJYIRWVQU-SECBINFHSA-N	249.075	-0.090	50	10	BBGE	
CC(=O)NNC(=O)COC[C@@H]1CCCNC1	260544487	ODWRLCQIUDIGQT-SECBINFHSA-N	229.280	-0.830	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	306038017	RGFCCKXHSTUWAN-LILFGPHWSA-N	239.319	-0.544	50	10	BBGE	
OB(O)c1cc(CN2C[C@@H]3C[C@H]3C2)ccc1F	306980944	PZIRLNDHYNLGNJ-UWVGGRQHSA-N	235.067	-0.043	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)CBr	307652749	KBVNAKKONDPUKO-RFZPGFLSSA-N	226.070	-0.761	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1C#N	308908736	WDNDMCHCEKDIFM-UHFFFAOYSA-N	204.978	-0.975	50	10	BBGE	
CCOC(=O)NNC(=O)C1CCNCC1	309045838	OLODWURJMHOCMU-UHFFFAOYSA-N	215.253	-0.237	50	10	BBGE	
CCNC(=O)C(C)(C)NC(=O)NC(=O)CCl	312826372	STGYCSCVZZYORE-UHFFFAOYSA-N	249.698	-0.034	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	379746498	CCZUVCLVHBGWQT-OVFHJWECSA-N	239.319	-0.544	50	10	BBGE	
C[C@@]1(CN)CCN(CCCC(=O)NN)C1	393798330	PKAUMHAZXIWFJJ-JTQLQIEISA-N	214.313	-0.573	50	10	BBGE	
CCOC(=O)Cc1nc2cccc(B(O)O)c2o1	396119091	OLGHWUYSQOHLCM-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
OCc1c(B(O)O)sc2c(O)cccc12	396353238	ZEOPMADCJMEGFT-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCOC(=O)Nc1ncc(B(O)O)s1	405083418	NSVSIBBNCNZMGA-UHFFFAOYSA-N	216.027	-0.609	50	10	BBGE	
CC1CN(C(=O)c2cccc(B(O)O)c2)C1	584984002	VMAAWNHWARIRKZ-UHFFFAOYSA-N	219.049	-0.542	50	10	BBGE	
Cc1nn(Cc2ncccc2C(=O)NN)c(=O)o1	694824599	NVMRNLZMXAIVKF-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCCNC(=O)C1	695104390	QRNPLFIIGIPLFD-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](NC(=O)CCCCl)[C@H](O)CO	698872637	MDIXPNNWGWVODJ-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
NC(=O)NNC(=O)c1cnc2ccccc2n1	700852424	GQHQAMFGPZJFRZ-UHFFFAOYSA-N	231.215	-0.057	50	10	BBGE	
O=C(NCB(O)O)c1ccc(O)c(Cl)c1	702032539	OISRUGQKPYSVAW-UHFFFAOYSA-N	229.428	-0.213	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCN(CCCl)C1	705528392	ZGNIYDNIAOWXTN-ZETCQYMHSA-N	226.729	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	709378399	QROGKXWOOLARIV-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
CC(=O)NNC(=O)c1cn2c(n1)CCC2	843750960	VZYYVDFYIORBSV-UHFFFAOYSA-N	208.221	-0.390	50	10	BBGE	
C[C@H]1OCC(=NNC(=O)c2cn(C)nn2)[C@H]1C	853382604	GVFMLBBQDJVSBH-NKWVEPMBSA-N	237.263	-0.044	50	10	BBGE	
CCO[C@@H](C(=O)NNC(=O)CO)C(C)C	863903533	KIQWLBBZTHLJKJ-MRVPVSSYSA-N	218.253	-0.813	50	10	BBGE	
CNC(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	1142142621	RIYLOLQOYQAGNI-XLPZGREQSA-N	227.264	-0.096	50	10	BBGE	
CC(=O)NCC(=O)NNc1ccc(F)cn1	1154191055	IMMYDOHCZYSDQA-UHFFFAOYSA-N	226.211	-0.200	50	10	BBGE	
COC(=O)NNC(=O)c1cccn(C)c1=O	1323971874	RCDTVBUHIZTMAJ-UHFFFAOYSA-N	225.204	-0.614	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1CCNC1=O	1334587579	FKTHCLOULZHIEM-UAPHAKCISA-N	223.232	-0.565	50	10	BBGE	
Cn1cc(CCC(=O)NNc2ccn(C)n2)nn1	1351204217	FHFQMJQISPDINN-UHFFFAOYSA-N	249.278	-0.376	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1CCN1CC	1597277363	GLBDSRAGEQFACA-QMMMGPOBSA-N	228.296	-0.227	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@H]1Br	1881370523	HWRTZKRENZEQBI-PHDIDXHHSA-N	236.113	-0.309	50	10	BBGE	
C#CCOCCNS(=O)(=O)CCCl	1882958412	JEHOEQPYSWJCIH-UHFFFAOYSA-N	225.697	-0.206	50	10	BBGE	
N[C@H](CCO)C(=O)NC[C@H]1C[C@H]1Cl	1883551520	JWZOJHWLUHODLW-FSDSQADBSA-N	206.673	-0.560	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O	1885892417	PAEZBWQCZPZSNB-FAYXRDSDSA-N	219.668	-0.575	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC1(F)F	1885991683	DUUAZOZJVDJSON-SCSAIBSYSA-N	207.180	-0.862	50	10	BBGE	
C[C@H](COCCOC(F)F)C(=O)NN	1888726785	LQNMTGPCKHTDTP-RXMQYKEDSA-N	212.196	-0.132	50	10	BBGE	
CN(CCO)S(=O)(=O)CCOCCCl	1889159993	VUCNSLPQNXVAAE-UHFFFAOYSA-N	245.728	-0.504	50	10	BBGE	
C[C@H](O)C[C@H](C)N1CC[C@H](B(O)O)C1	1891517448	OQQCMVZPTCNHKH-CIUDSAMLSA-N	201.075	-0.306	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NCC1CC(Cl)C1	1893508961	HPLKXIZCWITQPO-LFHVAVFRSA-N	220.700	-0.172	50	10	BBGE	
CC1(C)OCCO[C@@H]1C=NNC(N)=O	1893728751	ZGJZJXBNADLHNM-ZCFIWIBFSA-N	201.226	-0.166	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@@H]1F	1895382029	PESXNKHOORTLCW-RQJHMYQMSA-N	224.000	-0.942	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(CO)C2)C1	1895940975	JXAINAZAPDEIAV-WCBMZHEXSA-N	227.308	-0.683	50	10	BBGE	
Cc1sc(C(=O)N2CC[C@H]2C)cc1B(O)O	1899938090	QYLWQTVZFBFYGA-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1CCCC(=O)NN	1900249576	ACVSKIHKKKGFJC-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](F)[C@H](O)C1	1901770412	LISFMCNCUDQMCR-HRDYMLBCSA-N	233.287	-0.450	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2[C@@H]3CCOC[C@H]32)C1	1902512537	MGOUUOHUHZGDGZ-LMLFDSFASA-N	225.097	-0.182	50	10	BBGE	
COC[C@@H](CN1CC[C@](C)(B(O)O)C1)OC	1902542187	WJLRBWSHGXCYDS-ZJUUUORDSA-N	231.101	-0.413	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@@H]2CCCNC2=O)C1	1902551134	OQZVIDZELHJTMT-PSASIEDQSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1cc(S[C@@H]2CC[C@H]2O)ncc1F	1903005219	DMOUSJYFTNEBCS-HTQZYQBOSA-N	243.068	-0.484	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc([N+](=O)[O-])ccc1=O	1905534927	MIPIRIILWICKMW-LURJTMIESA-N	240.219	-0.303	50	10	BBGE	
CC[C@]1(C)NC(=O)N([C@@H](C)CC(=O)NN)C1=O	1905535038	QBTFZIPZIMLTTQ-WKEGUHRASA-N	242.279	-0.525	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(C1CCC1)C1COC1	1906033477	XUQLWDPIJJGBBP-GZMMTYOYSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC(C)(C)C(=O)NN	1914263782	ZGHXXEPALPZTBI-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(CO)(CO)C1	1914968655	RLUOMYYQJFRZMM-SSDOTTSWSA-N	204.657	-0.596	50	10	BBGE	
CNC(=O)CSCC1(C(=O)NN)CC1	1931268350	FXAIRACANWGFDU-UHFFFAOYSA-N	217.294	-0.764	50	10	BBGE	
C[C@H](C(=O)NN)N1CC([C@@H]2CC2(F)F)C1	1933055928	GLJXPFXYVHZJAI-VDTYLAMSSA-N	219.235	-0.048	50	10	BBGE	
CN(CC[C@@H]1CCCO1)CC(=O)NN	1935343850	PQIBTKYGOZMXIO-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2CC[C@H]1C2	1935926310	PGKJRRBWQZRJAT-WDSKDSINSA-N	233.218	-0.378	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)C[C@H]1O	1935929575	DLCYXVLEYAWUJM-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936088048	JFOLLMNHIUHHPL-DJLDLDEBSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)N1C	1936091791	OUZALRCZFXRNOS-GJMOJQLCSA-N	226.280	-0.632	50	10	BBGE	
CCCC1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094230	LLKNWDXSKLCNMC-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@@]12CCOC2	1939718358	DEOQEHMMLPXFMX-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942115905	QJABIJNRZBXYGP-WDCWCFNPSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@H](C)C(=O)NN)C2	1942326218	QQUASQVAPBTXGK-QMMMGPOBSA-N	237.307	-0.367	50	10	BBGE	
CO[C@@H]1CN(CC(F)(F)C(=O)NN)CC12CC2	1944717869	KZWWGTASDHLSLT-SSDOTTSWSA-N	249.261	-0.278	50	10	BBGE	
CC(C)(C)[C@@H](OC[C@H]1COCCO1)C(=O)NN	1948420966	QMGGYZOXXKCVAT-BDAKNGLRSA-N	246.307	-0.177	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@H](O)[C@@H](O)C#N	1951361756	XNOSQKKKUHIESI-BQBZGAKWSA-N	216.237	-0.244	50	10	BBGE	
Cn1nnc(CN[C@@H]2C[C@@H]2CCl)n1	1954308220	OGBJKDGCIASTOK-PHDIDXHHSA-N	201.661	-0.073	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955550530	XCWDVOHOUIVHMQ-HEIBUPTGSA-N	219.668	-0.434	50	10	BBGE	
CNC(=O)OCCCNS(=O)(=O)CCl	1955607953	BTQFZJSFLDSBLZ-UHFFFAOYSA-N	244.700	-0.152	50	10	BBGE	
CN(CC(=O)NN)C1(CO)CCCC1	1956764480	BLEZKZAGSYIYFS-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)[C@H](C)C(=O)NN	1974928139	ZRUSADHWDDOUGB-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1	1976092596	WYCQKHDGTIIQOV-XLPZGREQSA-N	241.678	-0.288	50	10	BBGE	
CCCN1CC[C@@H](N(C)[C@@H](C)C(=O)NN)C1	1976569602	FZJRQVBPWVGBST-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976994239	HFLRHPJIJMNSLM-RQJHMYQMSA-N	231.057	-0.679	50	10	BBGE	
NC(=O)NC1CN(C(=O)NC(=O)CCCl)C1	1977995944	JTLKYXKWZRVTSX-UHFFFAOYSA-N	248.670	-0.796	50	10	BBGE	
NC(=O)NNC(=O)c1ccn2nccc2c1	1978924329	APNFPAKQAUBLPR-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	1980228990	OQVBQPXZVZRPIL-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
COC1(CF)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1980378397	UVFHNMPALVMMCH-SFYZADRCSA-N	231.271	-0.717	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@H]2C[C@H]21	1981144174	UIIHCJDLJZLSNS-BBBLOLIVSA-N	227.308	-0.136	50	10	BBGE	
Cc1nc(S[C@@H]2CCOC2)ccc1B(O)O	1981451394	VVKLGNNWNXPZEQ-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]3C2)c(F)c1	1981468381	AYMXNFOOLBFJIP-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
OB(O)c1csc(N2CC[C@]23CCOC3)n1	1981470989	FWQJYKYPJGVOMF-SECBINFHSA-N	240.093	-0.808	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](Cn2cccn2)O1	1990164890	SQBUOGIKPFXWHC-DTWKUNHWSA-N	224.264	-0.189	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCO[C@@H]1C	1990775227	SUCZFISFESJYAA-APPZFPTMSA-N	229.280	-0.737	50	10	BBGE	
C[C@H]1OCC[C@H]1CC(=O)NCC=CB(O)O	1991328254	DLQXQQSKHVFOCI-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
CC1(C)[C@@H](C(=O)NCC=CB(O)O)C1(F)F	1991328920	HIBSAVNUIRPVAZ-ZCFIWIBFSA-N	233.023	-0.038	50	10	BBGE	
O=C1NC(=O)N2CCN(C[C@@H]3C[C@H]3Cl)C[C@@H]12	1991437709	HQCRHYHSPKKTHH-RNJXMRFFSA-N	243.694	-0.150	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)[C@H]1C[C@H]1Cl	1991688653	PZAJCPCOLBDBJU-NTSWFWBYSA-N	244.678	-0.123	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)[C@H]1C[C@H]1Cl)C2	1991692528	HOBHQKFASFGJRI-NKWVEPMBSA-N	243.694	-0.150	50	10	BBGE	
C=C(CN(CC)[C@@H]1CCS(=O)(=O)C1)B(O)O	1992160594	YLSWVLDHPVOSCL-SECBINFHSA-N	247.125	-0.936	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@]1(C)CCO	1994707193	MUQAVOPCRIEWBW-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccon1	1996647109	HUWGYPMSMHTNKL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
N#CC1CN(Cc2cncc(C(=O)NN)c2)C1	2000595382	UWIMKQXAYYOPRM-UHFFFAOYSA-N	231.259	-0.360	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@@H]2CC[C@H]21	2002914122	FFIYBYURCVQBEG-NXEZZACHSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCCO2)C1	2004392647	FCPSOVUQUOENMV-BDAKNGLRSA-N	241.291	-0.606	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2C2CC2)nc1	2005008097	RNKGZAVFIRLFEQ-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
Cc1cc(N2CCCCCO2)ncc1B(O)O	2005014574	NNIAOYHFCHANCV-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H]2CO)o1	2007494714	AOCKOOZKXHVQEB-MRVPVSSYSA-N	237.259	-0.384	50	10	BBGE	
CN(C)C(=O)NCCc1cccc(B(O)O)c1	2008786721	ZIKUEPXZYDSEHZ-UHFFFAOYSA-N	236.080	-0.820	50	10	BBGE	
COc1nc(OCC2(C)CC2)ncc1B(O)O	2011904247	ZCQXAEPBRYBCNB-UHFFFAOYSA-N	238.052	-0.656	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]2(CCCO2)C1	2019213385	VPCFZSJWCUEBLW-NSHDSACASA-N	241.291	-0.591	50	10	BBGE	
O=C(NCC=CB(O)O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2020057134	RVEAURBGWVPCNL-AXTSPUMRSA-N	235.092	-0.037	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC)B(O)O	2021164778	MDUKCIKDIQFFAP-HGCLJGPKSA-N	237.108	-0.090	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ncc[nH]1	2021383675	BPRZDJVHQUWMJA-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCc2ccccc2C1	2027573750	PGLZUCIXEDFVSG-LLVKDONJSA-N	247.298	-0.008	50	10	BBGE	
O=C(N1CCC1)N1Cc2cccc(B(O)O)c2C1	2043145122	CALFVQHGSYSLLJ-UHFFFAOYSA-N	246.075	-0.492	50	10	BBGE	
CN(Cc1cccnc1)c1ccncc1B(O)O	2052498926	LHCDZICCDMGURU-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CCC[C@@H]32)c1B(O)O	2052559341	ISAMPNLVHHOQTQ-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
N#Cc1cc(B(O)O)cc(C=O)c1OC(F)F	2060276097	LMRFIDQGCQVGNI-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
Cn1ccnc1COCc1ccc(B(O)O)cc1	2080333297	SGUBNGOMMUAYPK-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@H]1CC[C@@H]1C(=O)NN	2211839442	URJMQGGPILPTJC-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
NC1(COc2cc(B(O)O)ccn2)CCC1	2212605241	AMHIDEXUOMRJEO-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
C[C@H](N)[C@@H](C)Nc1nccc(B(O)O)c1F	2212606012	MZOZLBMNWJOPSN-NTSWFWBYSA-N	227.048	-0.952	50	10	BBGE	
CC[C@@H](N)CCOc1ccc(B(O)O)cn1	2212608899	MDMKLQNEBHMYCI-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
CC[C@H](COc1cc(B(O)O)ccn1)NC	2212614987	YSFQYFBNQIWIIM-SECBINFHSA-N	224.069	-0.862	50	10	BBGE	
COC[C@@]12CCC[C@@H]1CN(C(=O)C(=O)NN)C2	2217080153	GESRIPNCKDWXGO-KCJUWKMLSA-N	241.291	-0.749	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Nc1nccc(B(O)O)c1F	2217181709	TYXDGTWDGGOYND-SFYZADRCSA-N	239.059	-0.808	50	10	BBGE	
CCNCCCOc1nccc(B(O)O)c1F	2217185941	DIGUTEQTTJTTHZ-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
CCOCCCOc1nccc(B(O)O)c1F	2217195307	IIRCUEFKKUEQMU-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
Cn1cc(Oc2nccc(B(O)O)c2F)cn1	2217196811	VAYPDDLYTAJVAT-UHFFFAOYSA-N	236.999	-0.574	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCOC[C@@H]1F	2217199470	MNVWGFHDKHQSEA-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
C#CC[C@H]1CCN(c2ncccc2B(O)O)C1	2217199531	DBOKACIIQBCWFO-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
CN(CC1CC=CC1)c1ncc(B(O)O)cn1	2217202616	XXQRZEWYOIIQOJ-UHFFFAOYSA-N	233.080	-0.441	50	10	BBGE	
CCOCCCN(C)c1cc(B(O)O)ccn1	2217205256	WRMLMFCEFXTBBP-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
CCc1ncc(CNc2cc(B(O)O)ccn2)o1	2223646696	OIQDSJGGMYHCNQ-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCCNC1	2223653920	VVJDIWLUZQJRFT-LBPRGKRZSA-N	249.123	-0.437	50	10	BBGE	
CSC[C@@H](C)CNC(=O)C#CB(O)O	2241467978	FIOXITXJLUNORQ-ZETCQYMHSA-N	215.083	-0.883	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CCCOC1	2243349037	DUWCSVRUEUQOOC-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
COc1ccncc1NC(=O)C#CB(O)O	2243357364	VRHZHMNMZBVUQV-UHFFFAOYSA-N	219.993	-0.956	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ncsc1B(O)O	2243358682	JGTKQIGSXRNJRN-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1ccoc1B(O)O	2243361841	HWPDWKVYXFGSGI-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
CC(C)C1CC(N(C)C(=O)C#CB(O)O)C1	2243362718	VOANUYKPIBBNHI-UHFFFAOYSA-N	223.081	-0.105	50	10	BBGE	
CNCCC[C@@H](C)NC(=O)C1(B(O)O)CC1	2243363961	PFTZWUUMMVMUSP-MRVPVSSYSA-N	228.101	-0.502	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243363972	PIZXUTWIERBKMF-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2243364140	RVFVCNGSFRNSBR-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2243364419	WXIMNWZBNWTLJI-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)ccc1C	2243366455	CHZYKSFGHIGBQG-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ncccn1	2243392267	SNBIIXARHIMZQP-BQBZGAKWSA-N	221.025	-0.698	50	10	BBGE	
NC[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243392480	UOKLHFOTOYZOPA-UEJVZZJDSA-N	226.085	-0.953	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)[C@H]1C[C@@H]1B(O)O	2243396792	QTXGNPDXFAGRHE-ACLDMZEESA-N	231.032	-0.906	50	10	BBGE	
CCO[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243408236	JORTVMGUUIXALY-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CCC1(NC(=O)c2ncsc2B(O)O)CC1	2243408812	VPXHQPRSHZZDEF-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CC1(C)CCN1C(=O)c1csnc1B(O)O	2243411849	BFOBRGDTSBMNGJ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CCN(C(=O)c1cocc1B(O)O)C1CC1	2244205875	OKWNALHMOBWSFR-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2244211620	JFKSYVFSOUZKLZ-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C=CC1CN(C(=O)c2occc2B(O)O)C1	2245442653	STRYECLHIWSSDR-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
O=C(Nc1ccccn1)c1ccoc1B(O)O	2247739885	CIKGSALSUMDLQV-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1occc1B(O)O	2247745652	MNZGGUFFXNZJFA-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
CCN1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247756284	SIZSPOPOKBUSET-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)cc1OC	2247759630	UOBYLHMVDLJXEI-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2247770867	RLGDBTSTPXBDKP-SECBINFHSA-N	234.064	-0.710	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785394	KEWMOQRJGSWAHA-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
O=C(NC[C@@H]1CCCCCO1)[C@H]1C[C@@H]1B(O)O	2247798956	YOGPUEIAUSHLOO-GUBZILKMSA-N	241.096	-0.075	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)C1	2247804042	DURDDVUTZNRROW-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCNCC1	2247807355	QROFCMHHNJBRBB-ZJUUUORDSA-N	240.112	-0.550	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)C(=O)C#CB(O)O	2247846808	MOBXRUXPZUFPOL-VHSXEESVSA-N	239.080	-0.869	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H](O)[C@H]1C2	2247860649	ZLDQMYNVKGRMBA-IGORNWKESA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccncc1B(O)O	2247873882	NEPZVAUHHRFRSI-XVKPBYJWSA-N	234.064	-0.710	50	10	BBGE	
O=C(NCCC1(O)CCCC1)[C@@H]1C[C@H]1B(O)O	2247894874	LRYDJHFVVGWRSE-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
COC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247895817	VNENJKLUTHENND-RNFRBKRXSA-N	243.068	-0.835	50	10	BBGE	
CCCn1ccc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247896328	YIRNGYFEAGPTMQ-SFYZADRCSA-N	237.068	-0.484	50	10	BBGE	
CNC1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247899296	MDZXYZGOYCBFFE-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N[C@H]1C[C@H]1F	2247947186	RZGQCGQOLKWPIL-BDAKNGLRSA-N	238.027	-0.402	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2249305260	HIOVZIIIBLTRFJ-WCBMZHEXSA-N	242.323	-0.659	50	10	BBGE	
CN(C)CCCCCNC(=O)[C@H]1C[C@H]1B(O)O	2250846331	KVFIAISRAYGWMU-VHSXEESVSA-N	242.128	-0.303	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1cc(B(O)O)n[nH]1	2250877327	FLEIHGZMDUQKNM-SSDOTTSWSA-N	237.068	-0.969	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC(C)C1	2251793759	YUXUDKAKEDZATI-UVCIYIGYSA-N	241.096	-0.219	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1coc(B(O)O)c1	2255454029	UPNVBPZOYILPAZ-JTQLQIEISA-N	249.075	-0.263	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2ccoc2B(O)O)C1	2255463804	NIRKGTWJWOGWCZ-IUCAKERBSA-N	247.059	-0.509	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1ccc(B(O)O)o1	2255466589	ARXUFEVIFUIENR-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)cc2F)C1	2255506295	QKKGGNQCROBGMR-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@]2(C)C[C@H]2C)c1B(O)O	2255783112	ALPMETRIIAPQQH-PELKAZGASA-N	248.091	-0.402	50	10	BBGE	
Cc1ccnc(NC(=O)c2cc(B(O)O)co2)c1	2258137875	BWTFPHWQMLAFMH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cocc1B(O)O	2258141346	ITRMZADUQNVWMB-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
COc1ccc(OCc2ncco2)c(B(O)O)c1	2260815204	XYFWUHULTIWPHB-UHFFFAOYSA-N	249.031	-0.058	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298374997	VTGCLVIKWJSRSM-RXKWGBCNSA-N	238.096	-0.955	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376701	JXXFRJWDYKVXHP-JXUBOQSCSA-N	240.112	-0.600	50	10	BBGE	
C/C=C/C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298462886	HXFGWKPTLFHWJT-HRDOHYJMSA-N	241.052	-0.615	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC2CC1(CO)C2	2299795943	MGLVCSSRESWVSK-SQLBVSGCSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H](C)N	2301452841	MVVLVIAIVWPKEO-SFYZADRCSA-N	237.064	-0.707	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2OCCO[C@H]2C1)B(O)O	2301851372	XHPQONKBVNARTD-QWRGUYRKSA-N	241.096	-0.566	50	10	BBGE	
COCCN(CC(B(O)O)=C(C)C)C1COC1	2301957894	FZCZRVRKYRPQII-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
O=C(N1CCN[C@@H]2CCC[C@H]21)C1(B(O)O)CC1	2302884475	FTQSMMDPLHSVNP-RKDXNWHRSA-N	238.096	-0.654	50	10	BBGE	
O=C(c1ccnc(O)c1)N1CC[C@@H](B(O)O)C1	2303102119	RCPNOONOPHTXOA-MRVPVSSYSA-N	236.036	-0.524	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCN[C@@H]2CCC[C@@H]21	2303165677	OEHFROQZOXGDMW-QEYWKRMJSA-N	238.096	-0.798	50	10	BBGE	
CC[C@](C)(Cn1ncc(C)cc1=O)C(=O)NN	2303435395	UIKGXTLWRVMSQM-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1cc(B(O)O)c(F)cn1	2303834795	LYQGUPGXBKFYPZ-YFKPBYRVSA-N	248.013	-0.010	50	10	BBGE	
CCn1nc(C)cc1C(=O)NNC(N)=S	85166262	NAXWWIHYWOWPJS-UHFFFAOYSA-N	227.293	-0.311	50	10	BBGE	
COC[C@H](C)CN1CC(=O)OC(=O)C1	111218186	GHYNHVRHQXSALL-SSDOTTSWSA-N	201.222	-0.346	50	10	BBGE	
CC(=O)N1CCN(C[C@@H](O)CCl)CC1	157939427	SRMQMIRAOSLOSC-VIFPVBQESA-N	220.700	-0.250	50	10	BBGE	
C[C@@H](CN1CC[C@H](CCO)C1)C(=O)NN	159979775	NZJHCKYYDKUDQR-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
CCOCOc1ccc(B(O)O)c(F)c1	203508237	RQVQROPMGVROSX-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(N)CC1	211912343	HVFKUAGMKFVKNT-VIFPVBQESA-N	214.313	-0.432	50	10	BBGE	
O=C1O[C@H](CCl)[C@@H]2[C@@H](O)[C@@H](O)CN12	221931765	PFDBLPDEHWWDQS-KCDKBNATSA-N	207.613	-0.850	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)CBr	227260563	ZLDHKBGKDKITAS-BYPYZUCNSA-N	240.053	-0.969	50	10	BBGE	
CCNC(=O)CNS(=O)(=O)CCCl	232294994	JJYMJOXKMGQURO-UHFFFAOYSA-N	228.701	-0.719	50	10	BBGE	
COC[C@H](OCCc1ccccn1)C(=O)NN	232417549	XEXSTFOWHQABKJ-JTQLQIEISA-N	239.275	-0.354	50	10	BBGE	
CN(C)CCOCCNC(=O)CCl	234261365	WFTHQRPUEWPBLL-UHFFFAOYSA-N	208.689	-0.080	50	10	BBGE	
CC(=O)Nc1cc(C)c(C(=O)NN)cn1	238072795	WVYJCFODZDFLAO-UHFFFAOYSA-N	208.221	-0.048	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)[C@H]1CC	251267639	DPNQNMBPOLBEOR-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)CCN1C	251632937	FOLSMIXDYCJZIK-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NCCNc1nc(N)nc(CCl)n1	306315229	GQTSENQBFUNLJL-UHFFFAOYSA-N	202.649	-0.437	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1O	306732454	MLMFNCPXIJKUKL-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
CNC(=O)C(=O)N1CCSSCC1	307013804	MAPWBCXWLGXDIB-UHFFFAOYSA-N	220.319	-0.044	50	10	BBGE	
Nc1nc(CCCl)nc(N2CC(O)C2)n1	307029878	JLRKLMBGSOORDF-UHFFFAOYSA-N	229.671	-0.584	50	10	BBGE	
CN(C[C@@H](O)CBr)C(CO)CO	308113915	LOKYWLDJEVYPOC-ZETCQYMHSA-N	242.113	-0.973	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(C(=O)NN)o1	385027250	ZJLFALNBACCPQR-HTQZYQBOSA-N	239.275	-0.162	50	10	BBGE	
C=CCNC(=O)CNS(=O)(=O)CCl	393817565	LOOSBDXVNACPEF-UHFFFAOYSA-N	226.685	-0.596	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395620713	VUFPOJRWBMXZBB-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1[N+](=O)[O-]	396058445	WUBCIKMNHDSJSB-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
O=C(O)c1cccc2oc(B(O)O)nc12	396115856	RZDVMZFYUVXRKC-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1CC#N	396139702	SODQSPJZHCHDFN-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1	584940558	WBYRLSUNNRBFNQ-GMSGAONNSA-N	219.049	-0.495	50	10	BBGE	
CN1C(=O)CN(CCC(C)(C)C(=O)NN)C1=O	688956340	VDVCCHNVZPRLKQ-UHFFFAOYSA-N	242.279	-0.713	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ccnn1C	689555024	WFGPLNCQSIHELD-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
CN(CCCC(=O)NN)C(C)(C)CCO	691093843	DOLMCXXUKFYQNI-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
N#CC1(O)CCN(Cc2nnsc2N)CC1	692086599	PYNAFBVRFJAKBB-UHFFFAOYSA-N	239.304	-0.029	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](CO)C1	695085325	CEZMAWKSBQVNPP-ZJUUUORDSA-N	229.324	-0.295	50	10	BBGE	
Cn1nnnc1CN1CC(CCl)C1	697691456	ZSPUSHLPTTUPGV-UHFFFAOYSA-N	201.661	-0.119	50	10	BBGE	
Cc1nn(C)c2ncc(C(=O)NNC(N)=O)cc12	700872999	KAGVBRCMSXYSCS-UHFFFAOYSA-N	248.246	-0.410	50	10	BBGE	
NC(=O)NNC(=O)/C=C\c1ccc(C(N)=O)cc1	700889178	KTEYYWDWHWRGQB-UTCJRWHESA-N	248.242	-0.502	50	10	BBGE	
CC(=O)NCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703470995	VRUWYXGTYDCKOB-YUMQZZPRSA-N	226.232	-0.961	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(C)C[C@H]1C	704081106	JJNBJWUQOVZMEB-KKZNHRDASA-N	229.324	-0.031	50	10	BBGE	
CCn1nnnc1S[C@@H](C(=O)NN)C(C)C	706553796	RTCZOCKHIVLLKK-ZCFIWIBFSA-N	244.324	-0.200	50	10	BBGE	
NNC(=O)c1ncc(CSCC(N)=O)s1	711348126	ORNWKBMRZJIOGK-UHFFFAOYSA-N	246.317	-0.535	50	10	BBGE	
C[C@H](CN(C)C)Oc1cncc(B(O)O)c1	713940632	UQDWETXPLJWQSM-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H]2C[C@H]2C1=O	715703762	REVUXVXKRWEIBH-HTRCEHHLSA-N	235.243	-0.139	50	10	BBGE	
NNC(=O)CCN1C2CCC1(CO)CC2	723023138	UNXJELJGJGFJLY-UHFFFAOYSA-N	213.281	-0.644	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724815747	GQLIBXLZYZTRAH-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(O)CNC1=C(C#N)[C@H](N)[N]S1	725564761	KSQPRSKAOYPNMA-ZCFIWIBFSA-N	213.286	-0.367	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)CN(C)C	825708760	MPACKZPUQIKHTA-HTQZYQBOSA-N	213.281	-0.259	50	10	BBGE	
CNC(=O)NNC(=O)c1n[nH]c(C)c1C	1251882287	XAGIJYDVTVSSHL-UHFFFAOYSA-N	211.225	-0.400	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1cnnc(O)c1	1440413323	SJHLKQSZCMJBHF-UHFFFAOYSA-N	222.204	-0.647	50	10	BBGE	
O=C(Cn1cncn1)NNc1ccc(F)cn1	1471712114	NQZRXRUPMZMXJD-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
CC(=O)NNC(=O)c1nc(O)c(C#N)cc1C	1540496476	VNDXZIZJNKZAEN-UHFFFAOYSA-N	234.215	-0.252	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1cnn[nH]1	1635285972	SCFVWRGUDJMQLE-VOTSOKGWSA-N	221.220	-0.135	50	10	BBGE	
NC[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Br	1877359666	MPHMASQJBVYSLS-JKUQZMGJSA-N	237.097	-0.794	50	10	BBGE	
CN(N)C(=O)[C@H](CO)NC(=O)OC(C)(C)C	1879957359	AMTHXDAQICPPBA-LURJTMIESA-N	233.268	-0.796	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](F)[C@@H](CO)C1	1881831717	CGFNDFMYGHJLRG-PHDIDXHHSA-N	231.676	-0.225	50	10	BBGE	
N[C@H](CCO)C(=O)NC[C@H]1C[C@@H]1Cl	1883551519	JWZOJHWLUHODLW-DSYKOEDSSA-N	206.673	-0.560	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1S(=O)(=O)CCl	1885617316	VWLSXQMMLVNTRX-WDSKDSINSA-N	243.712	-0.672	50	10	BBGE	
C[C@@H](CCCl)C(=O)NC[C@H](O)C(N)=O	1885937516	HPYYZSBPTYNNEG-WDSKDSINSA-N	222.672	-0.786	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1CC1	1888562250	RQKISHZBHMKNQM-UHFFFAOYSA-N	206.267	-0.291	50	10	BBGE	
NC1[C@@H]2CN(C(=O)C=CC(=O)Cl)C[C@@H]12	1893406353	WEMYRADSUXKSMK-PHDIDXHHSA-N	214.652	-0.277	50	10	BBGE	
CN(C(=O)C1CC(Cl)C1)C(CO)CO	1893488683	ZKKQASDLTTTWHT-UHFFFAOYSA-N	221.684	-0.185	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2C[C@H]2C)n1	1897621623	PRMUZOKFFMUEKF-SVRRBLITSA-N	222.053	-0.500	50	10	BBGE	
Cc1nccn1CCOC[C@H](C)C(=O)NN	1901435641	JAYTZJDCELTPRZ-QMMMGPOBSA-N	226.280	-0.166	50	10	BBGE	
C=C[C@H](CCl)NC(=O)c1nnn(C)n1	1901505536	XQZUCTYCMFNFDD-RXMQYKEDSA-N	215.644	-0.267	50	10	BBGE	
C=C(CN1C[C@H]2C[C@H]1C[C@H]2N(C)C)B(O)O	1901993469	VCFDYIAHBSMZPU-OUAUKWLOSA-N	224.113	-0.421	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccc(B(O)O)s1	1902407456	TXSZKCXZNJUCTK-QMMMGPOBSA-N	237.089	-0.380	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@H]2C[C@H]21	1902419036	AJPSOWZZBHMODA-IVZWLZJFSA-N	221.065	-0.303	50	10	BBGE	
C[C@H](C[C@@H]1CCOC1)n1cc(B(O)O)cn1	1905270969	RPEXMUJLIINOQC-BDAKNGLRSA-N	224.069	-0.450	50	10	BBGE	
CC(C)N1CCCN(CCC(=O)NN)C1=O	1905292136	HSURWAFZTJHXOH-UHFFFAOYSA-N	228.296	-0.098	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc([N+](=O)[O-])cnc1=O	1905535166	UPKJXNKQLUUDGZ-YFKPBYRVSA-N	241.207	-0.908	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@]2(CCOC2)CC1=O	1906951721	UKQMSSFZTOLSAF-KCJUWKMLSA-N	241.291	-0.606	50	10	BBGE	
CN(Cc1nc(C(=O)NN)cs1)C1COC1	1915650097	KJELYNOPMWPFFE-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154333	FVNZDQJMSLJRPQ-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](C)C(=O)Nc1ncc(B(O)O)s1	1924025014	UENWLWDXQGBUHM-YFKPBYRVSA-N	244.081	-0.956	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COC[C@H]1CCl	1928737386	DTOQIMKXVUDUOS-RNFRBKRXSA-N	231.687	-0.447	50	10	BBGE	
CCCN(CCCO)[C@@H](C)C(=O)NN	1930054976	DKKFYRLJRCFKER-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CS(=O)(=O)c1sccc1C(=O)NN	1930733577	UQJNGSATTQQNDT-UHFFFAOYSA-N	220.275	-0.245	50	10	BBGE	
NC(=O)[C@H](NC(=O)NC(=O)CCl)C1CC1	1932386151	DFUTZYPJROYIKQ-ZCFIWIBFSA-N	233.655	-0.685	50	10	BBGE	
Cc1cc(C)c(C(=O)NCB(O)O)cn1	1933123087	KJPQKPXVOMYYFW-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCc2nc[nH]c2C1	1936029700	SEZACFMWWVGKPO-RXMQYKEDSA-N	223.236	-0.786	50	10	BBGE	
COC[C@H](Cl)CN(C)C(=O)Cn1ccnn1	1937148257	BDXOZFBDWWVBQN-MRVPVSSYSA-N	246.698	-0.010	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@]23CCOC3)CC(=O)O1	1939705699	OKTICHAMNVKLSU-GZMMTYOYSA-N	225.244	-0.202	50	10	BBGE	
NNC(=O)CCCN1CCO[C@H]2COCC[C@@H]21	1940342543	AUCHJTRLVXJPBZ-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
CC1CC(=O)N(CC(F)(F)C(=O)NN)C(=O)C1	1940895515	IPYHAMHMIWBNNL-UHFFFAOYSA-N	249.217	-0.603	50	10	BBGE	
COC1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941090398	ZNKXKLTYQLFESK-QONHTCSSSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](OC(=O)N(C)C)C1	1942659434	JLCMJICOHVFLEP-HTQZYQBOSA-N	244.295	-0.863	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@@H]1CO	1944080950	VQCHGWWMFOSWKQ-MNOVXSKESA-N	235.287	-0.216	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@H]1COCCCO1	1948416976	MDBVQYCBMMROGO-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@@H](N)[C@@H](O)C#N	1952822447	ZCPVASJDVQSJMT-BIIVOSGPSA-N	217.294	-0.934	50	10	BBGE	
O=S(=O)(CCCCl)N[C@H]1C[C@H]1CO	1954307529	DPKUVMCZMXRXQK-BQBZGAKWSA-N	227.713	-0.085	50	10	BBGE	
CCN(C[C@H](O)CCl)[C@H]1CCNC1=O	1956859244	UUROKYVFTWNACS-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)[C@H](C)C(=O)NN)C1	1957582215	GGQQKMUOJPAOBC-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
CON(C[C@@H](C)C(=O)NN)[C@@H]1CCOC1	1960127023	VRLNRAUNSALLHS-HTQZYQBOSA-N	217.269	-0.735	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961364317	HGUCBSUHIWCRIQ-LMVFSUKVSA-N	219.191	-0.023	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC12COC2	1961512482	GLWZRHVKJSSOIV-JGVFFNPUSA-N	211.265	-0.913	50	10	BBGE	
CC(C)CN(C)c1ncccc1B(O)O	1961694941	WJJMVJAWAYLJCG-UHFFFAOYSA-N	208.070	-0.146	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)[C@H](C)C1	1977147700	SKICDRKXABRTEY-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1[C@H](C)CC(=O)NN	1981411009	GHECBWMBFRIMFV-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C=C1CON(c2ncc(B(O)O)cc2C)C1	1981468380	AWWSFAGOTGJYIY-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
CN(C1CC1)C1CN(CCCC(=O)NN)C1	1981586213	YDCLUXBROGJIMI-UHFFFAOYSA-N	226.324	-0.465	50	10	BBGE	
CC12CC(C(=O)NNCCO)(C1)C(C)(C)O2	1984099974	OVCQDVZWXHHDAY-UHFFFAOYSA-N	228.292	-0.053	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC=C[C@@H]1CO	1985649629	ZKEIWGRNEAGXQZ-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
CCS(=O)(=O)N1CC[C@@H](OC)[C@H](N=C=O)C1	1986272247	KVKIFJMIGZTZEA-RKDXNWHRSA-N	248.304	-0.239	50	10	BBGE	
Cc1ncc(OC[C@@H]2C[C@H]2F)cc1B(O)O	1987884311	JIJLCFCTIKOLCO-OIBJUYFYSA-N	225.028	-0.193	50	10	BBGE	
CCO[C@@H]1CCN(CC(=O)NNC(C)=O)C1	1990773960	CDWWCMITNMUTBD-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
C=C(CN1CCc2nnccc2C1)B(O)O	1992160210	UKFIXEDBGBTYGW-UHFFFAOYSA-N	219.053	-0.597	50	10	BBGE	
COCCO[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	1996764971	UXPRCEYZBBCHBS-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2ccnc(B(O)O)c2)[C@H]1C	1998446473	UMHWPMYIBMTSPX-BQBZGAKWSA-N	234.064	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@@H]1CCCNC1=O	2004308457	CRXJMSSZYIDOOF-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)CC1(C(=O)NN)CC1	2006198936	NEWQVNODDMIDDH-UWVGGRQHSA-N	239.319	-0.419	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C=CCCC1	2008840218	IZVYZUXXDROJMO-SNVBAGLBSA-N	233.076	-0.116	50	10	BBGE	
CO[C@@H]1CCN(C(=O)NN(C)C)C[C@H]1C(=O)O	2012158576	VSCHYTLTIIASQJ-HTQZYQBOSA-N	245.279	-0.406	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012903603	RYOPZJROVBZIAE-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CO[C@H](C(C)(C)C)C1	2013195752	JHIZVVJLNDVQSJ-SFYZADRCSA-N	243.307	-0.362	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@@H]2C1	2014770113	RDSUXVZAZXJNBT-RKDXNWHRSA-N	233.080	-0.607	50	10	BBGE	
CN(C)NC(=O)N[C@@]1(C(=O)O)C[C@@H](O)C1(C)C	2018004085	ZPBPSEJBCFUYGA-LHLIQPBNSA-N	245.279	-0.624	50	10	BBGE	
COCCN(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018242721	NBEHYLWLZFZFOQ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(C)CCCC(=O)N[C@H]1CCC=C1B(O)O	2020057636	USFOEHMIOYCLTB-JTQLQIEISA-N	240.112	-0.455	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@@H](C2)C3)n1	2021439685	TZUSXUMFYKGPTQ-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H]2CO)cn1	2056631504	NOXURERZEHLOJW-SNVBAGLBSA-N	248.286	-0.582	50	10	BBGE	
Cn1cc(C2CN(C[C@H]3C[C@H]3C(=O)NN)C2)cn1	2074813961	QMTWQOJWZZUJQO-LDYMZIIASA-N	249.318	-0.555	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)c1ccc(B(O)O)cc1	2079011059	YBMCFWJRWUVMJZ-MNOVXSKESA-N	249.075	-0.990	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@H]2C2CC2)n1	2079931931	LVYZOQZHXSALFK-ZJUUUORDSA-N	248.091	-0.110	50	10	BBGE	
C[C@H]1CN(Cc2nscc2B(O)O)C[C@@H]1F	2211138611	XHJJJXZZKHDJLD-XPUUQOCRSA-N	244.100	-0.387	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(CCCC(=O)NN)C1	2211250909	SAEYNDQDZFPUGQ-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(B(O)O)c(CNC(=O)C2CC2)s1	2211931569	AZLSJXJPGUOHPS-UHFFFAOYSA-N	239.105	-0.237	50	10	BBGE	
CN(CCC(=O)NN)C[C@H](F)[C@@H]1CCOC1	2212188039	WDZLIKAMPIBKFY-BDAKNGLRSA-N	233.287	-0.327	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@]1(O)CCNC1	2212239131	JYFWHAUKCKXHRB-TXXBHVLJSA-N	246.694	-0.461	50	10	BBGE	
C#CC(C)(C)CNc1ncccc1B(O)O	2212602348	CDUYFNFQECYOLL-UHFFFAOYSA-N	218.065	-0.167	50	10	BBGE	
CN1CC[C@@H](COC[C@H]2CC[C@@H]2C(=O)NN)C1	2215773572	BRDOBVWJSCOQGM-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215773938	VAQGDTNYAQFKGX-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)c1ccnn1C	2217173948	VLRRWWACKTYXKZ-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
CC(C)(CCn1cncc(F)c1=O)C(=O)NN	2217263353	JZMZHEYGUFBAJH-UHFFFAOYSA-N	242.254	-0.211	50	10	BBGE	
CC[C@H]1C[C@@H]1CCn1cc(B(O)O)cnc1=O	2217411206	QHGXQCLOOYBDCV-IUCAKERBSA-N	236.080	-0.641	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)CCN1	2220063147	PVJHSVVWEGHILH-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCNC3(CC3)C2)nc1	2223627384	AHDPGRCKSHCWPI-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
CN1CCC[C@H](Nc2ccc(B(O)O)cn2)CC1	2223638492	LGMSQHRQNNYEIG-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)C2CNC2)cc1B(O)O	2223653490	RYMSYDPSURNPDC-VIFPVBQESA-N	249.123	-0.886	50	10	BBGE	
C[C@@H]1CCN[C@H]1CSCC(=O)NN	2242140094	YXOZBYRZLNSPRD-RQJHMYQMSA-N	203.311	-0.293	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@H]1C[C@@H]1Cl	2242280694	MODCTYHLVYGCCA-BQBZGAKWSA-N	217.652	-0.914	50	10	BBGE	
CN(CCC(=O)NN)CC[C@@H]1CCO1	2242524589	UPLCUTRIUXYLNK-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1coc(B(O)O)c1	2243346828	DHKQLBXMSKPDGG-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1CCC1	2243349731	PVCYNEWPRQKLAB-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
O=C(NCCC(F)F)c1ccc(B(O)O)s1	2243350018	UIMISCIWWRTHHT-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
Cc1nc(C(=O)N2CC=CC2)c(B(O)O)s1	2243359393	SDGAMPNGEXKCQL-UHFFFAOYSA-N	238.077	-0.857	50	10	BBGE	
COCCSCCNC(=O)C1(B(O)O)CC1	2243363668	KIAAQHOTPPSWFN-UHFFFAOYSA-N	247.125	-0.511	50	10	BBGE	
CC(C)OCCCNC(=O)C1(B(O)O)CC1	2243364804	CILDAICZKBQMIQ-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
Cc1ocnc1CNC(=O)C1(B(O)O)CC1	2243366151	XZYRFGACGFKVKF-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
CN(CC1(C)COC1)C(=O)[C@H]1C[C@H]1B(O)O	2243392668	VZQKXIOPVHSTOM-JGVFFNPUSA-N	227.069	-0.656	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2243400660	FTOPGCRCXAXPTD-FHNUBNKASA-N	219.049	-0.838	50	10	BBGE	
CC(F)(F)[C@H]1CCN(C(=O)C#CB(O)O)C1	2243401907	YXTLRKWLXCZPQH-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
O=C(NCCCCCCO)C1(B(O)O)CC1	2243411306	REUGFEUDIVYCEP-UHFFFAOYSA-N	229.085	-0.338	50	10	BBGE	
CC1(CO)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243427713	ZQSMLGWAWDUNBY-ZKCHVHJHSA-N	227.069	-0.920	50	10	BBGE	
CC(C)[C@](C)(CC(=O)NCB(O)O)C(=O)O	2245265654	GHSVYXSEAYJAOQ-VIFPVBQESA-N	231.057	-0.748	50	10	BBGE	
CC[C@@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2247733983	FKYXLEYFOHWUQY-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
O=C(c1occc1B(O)O)N1C2CCC1CC2	2247750898	POQOVGBTSMNJOZ-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1occc1B(O)O	2247757612	QUYFOIRLDDVMEK-IONNQARKSA-N	237.064	-0.170	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786440	ATKQGCOZSIKFRF-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCn1ccnc1)[C@H]1C[C@H](B(O)O)C1	2247799340	CAOPSTYUFKFPSF-KYZUINATSA-N	237.068	-0.748	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247804706	HYIHPVPQJQTFBU-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
O=C1CC2(CCC2)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247805423	KEAOSBBSVKLCOP-HTQZYQBOSA-N	237.064	-0.222	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247806687	OMNVAPWIMPVVBR-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
O=C(NCc1cccnc1O)[C@H]1C[C@H]1B(O)O	2247808355	KWYRYTZIJSVCBJ-JGVFFNPUSA-N	236.036	-0.734	50	10	BBGE	
CC1(C)CCNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247809188	YEHXCBBMILYDQR-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1N(C)C(=O)C#CB(O)O	2247846806	MOBXRUXPZUFPOL-NXEZZACHSA-N	239.080	-0.869	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1CO	2247858167	BNRSOULFVPPWJN-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247858813	HXNDMJKWUXCOCN-CIUDSAMLSA-N	241.096	-0.219	50	10	BBGE	
C=CCCNC(=O)c1c(F)cccc1B(O)O	2247875319	VVUXSAVUTJNHKU-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@H]1N	2247877196	DDIRASVUMCSZAI-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@H]1N	2247877198	DDIRASVUMCSZAI-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CN(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247878631	OYCNCCJNLFPMBT-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC23CC3)oc1B(O)O	2247890047	FHGLDIIKCRUTOO-QMMMGPOBSA-N	235.048	-0.450	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247893201	NWSALMZFNYQOAX-QEYWKRMJSA-N	240.112	-0.504	50	10	BBGE	
CC1(C)OC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2247894485	HCUKKQSTBUURBJ-XLPZGREQSA-N	243.068	-0.883	50	10	BBGE	
CNCC[C@@H](C)N(C)C(=O)C1CC(B(O)O)C1	2247905660	VNCCVHGCIMWGMW-XNWIYYODSA-N	242.128	-0.304	50	10	BBGE	
CC1(C)C[C@]1(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248568163	MVBGXAPNYNWRHE-VGIXGZPDSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@@H](CCF)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574272	AEFWSIOJDAMBKN-FSDSQADBSA-N	247.031	-0.832	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248578509	UIURFAUSPDJIQG-CSMHCCOUSA-N	241.052	-0.685	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=C(F)CC1	2249419124	CPUFLIMVAXBYIL-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249573680	DHZCSQYBDZUDHE-DTHBNOIPSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCn2cncc2C1	2249740271	YWQPNKWSQHMHDD-WPRPVWTQSA-N	235.291	-0.675	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CC[C@H](O)C2)CC1	2250532645	JSYCNKTVQTYSIV-QMMMGPOBSA-N	241.291	-0.870	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@@H](C2)C1	2255457051	XMIAAAKPLORSDB-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(CCCC2)C1	2255488320	BRXLZNDOJPVAPL-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(C)cc(B(O)O)c1	2255510396	WOGGZYCWYNKRIZ-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2[C@@H]3CC[C@@H]23)c1	2255511009	DDMVUAMBEGXZGG-GHMZBOCLSA-N	245.087	-0.187	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cncc(B(O)O)c1	2255516058	GVPMMRSTOUCSDP-NSHDSACASA-N	246.075	-0.400	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1ncccc1B(O)O	2255517831	XQQDGYWBRXKCHU-VIFPVBQESA-N	246.075	-0.543	50	10	BBGE	
O=C(NCCC1CCC1)c1ccc(B(O)O)cn1	2255520842	PGZIZUFRRJTQJP-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1ncccc1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2255561992	PBFHSRBQXZZINI-GHMZBOCLSA-N	248.091	-0.088	50	10	BBGE	
Nc1cccc(NC(=O)c2cc(B(O)O)c[nH]2)c1	2255671008	LHVZTZFNNBWOGM-UHFFFAOYSA-N	245.047	-0.471	50	10	BBGE	
Cc1ncc(NC(=O)c2occc2B(O)O)cn1	2255690495	BMBQTBPFVIGPLF-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(c1occc1B(O)O)N(CC1CC1)C1CC1	2255737649	HOJJDKAQFWOXDO-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463144	RZRDMCMFVZTVCP-FKSUSPILSA-N	241.052	-0.829	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301493187	VPDKJMPKEUMDHP-QFOLPQNPSA-N	241.335	-0.010	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C1(O)CC1	2301850188	HDPRZOUJZONXRE-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
CO[C@@H]1[C@H](OC)CN([C@@H](C)C(=O)NN)[C@H]1CF	2302268917	UVKXNKZBLRLUEB-MAUMQABQSA-N	249.286	-0.952	50	10	BBGE	
CCN1CC[C@@H](N2CC[C@@](C)(B(O)O)C2)C1=O	2303159454	GEDKUHBBOKGRFK-MWLCHTKSSA-N	240.112	-0.454	50	10	BBGE	
CC(C)c1ccnc(CNC(=O)C(=O)NN)c1	2307935195	IKUMMHMZXQLJOV-UHFFFAOYSA-N	236.275	-0.189	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1n[nH]cc1B(O)O	2312849539	BWOBXTXZGRVFGZ-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
OCC12CC(CCN1c1cc(B(O)O)ccn1)C2	2314878169	RMMYYTRJMRELEA-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@@H]1CC[C@@H]1N	2317162665	LAENAJGOELMGEV-CMPLNLGQSA-N	245.091	-0.836	50	10	BBGE	
NC(=O)[C@@H]1CCCN1C(=O)NC(=O)CCCl	36906237	AHJPWISAUOETPS-LURJTMIESA-N	247.682	-0.199	50	10	BBGE	
CC(C)N1CCN([C@@H](C)CC(=O)NN)CC1	82467864	KEXMJESFQUGIJW-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](O)C1	82470434	WERQZKGAKWBLAF-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCN(C)C	82544090	JZKJNGKDHIUXNV-VIFPVBQESA-N	216.329	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCN(C)C	82544099	ZHYWNYQOKNOFSU-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
NC(=O)CN1CC[C@@H](Br)C1=O	82606590	CQVNYRNGCMJLIC-SCSAIBSYSA-N	221.054	-0.533	50	10	BBGE	
CN(C)Cc1nc(C(=O)NN)cs1	82686704	OMYCKSHAIBCPJE-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CC[C@H](Br)C(=O)NC[C@@H](O)CO	85248843	SECLVKHOVLUQST-RITPCOANSA-N	240.097	-0.371	50	10	BBGE	
CCCN(CCO)[C@H](C)[C@@H](C)C(=O)NN	86313567	PBRROCIBMJBSCH-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
CN(C=O)NC(=O)N(CCCl)N=O	105403607	AOLSOUIQLLSQKC-UHFFFAOYSA-N	208.605	-0.079	50	10	BBGE	
C[C@H]1CC[C@@H](C(N)=O)CN1CCCC(=O)NN	110586445	IGPJIJOKUZQRQY-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
Cc1oc(Cn2ncccc2=O)cc1C(=O)NN	110601814	GEGRIRPTKHWICW-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)CNC(=O)[C@H](C)NC(=O)NN	162624201	XPNIUPDKQFBGHH-LURJTMIESA-N	202.258	-0.680	50	10	BBGE	
N#CCC(=O)NCCNC(=O)OCCCl	169908974	PTOXFZGUNHHTEH-UHFFFAOYSA-N	233.655	-0.019	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@@H]1CCOC1	203991362	XDHMYNNXQZIYHO-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
COC(=O)c1c(B(O)O)cccc1[N+](=O)[O-]	204385545	JEJFEVLWVIVDAJ-UHFFFAOYSA-N	224.965	-0.939	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)C1	219253546	IZOCKYFTVZEWPW-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCCN(CCO)C1CCC1	228569058	RCFUQRRXEISZBQ-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
COC[C@H](OC[C@H]1CCOC1)C(=O)NN	232418348	YGOFUBILNBBAMT-YUMQZZPRSA-N	218.253	-0.956	50	10	BBGE	
COC[C@H](O[C@@H]1CCC[C@@H](OC)C1)C(=O)NN	232418422	GJCYKPGMIZDNHU-BBBLOLIVSA-N	246.307	-0.035	50	10	BBGE	
CN1C(=O)C[C@@H](Nc2nnc(CCl)o2)C1=O	234320797	HHNFUPUPJIWRLX-SCSAIBSYSA-N	244.638	-0.022	50	10	BBGE	
CC(C)NNC(=O)CC[C@@H](N)C(=O)O	238196705	XLVDZJFGPTUTTC-ZCFIWIBFSA-N	203.242	-0.792	50	10	BBGE	
COc1ccc([Si](C)(C)C)cc1B(O)O	238354939	LPAHPEJFPWACKD-UHFFFAOYSA-N	224.141	-0.080	50	10	BBGE	
O=C1C[C@@H]2ON3CCOC[C@H]3[C@@H]2C(=O)O1	257631767	VMDSTUDXZZWJIZ-HAFWLYHUSA-N	213.189	-0.909	50	10	BBGE	
OB(O)c1ccc(O)c2scc(O)c12	306646275	ONEAGKRLVMBSQV-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NC(=S)NNC(=O)C[C@@H]1CCOC1	307127682	DRCMJSXLQGRQSO-YFKPBYRVSA-N	203.267	-0.723	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H]1CCOC1	308979078	DDPZOBPVGUOAMX-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CS(=O)(=O)Nc1cc(N)cc(C(=O)NN)c1	309206259	COVLMNDBBWPJCF-UHFFFAOYSA-N	244.276	-0.756	50	10	BBGE	
NC1(C(=O)NNC(=O)c2ccco2)CC1	381287917	ZZNUPGCYXLIECP-UHFFFAOYSA-N	209.205	-0.468	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(N(C)C)C1	382349000	OQZVRDJXQBMVSW-YUMQZZPRSA-N	214.313	-0.753	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCSC[C@@H]1CO	388088024	CODHNUPPDBOILK-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
COCC(COC)OCC(C)(C)C(=O)NN	393813241	GBEFDORUIISMJX-UHFFFAOYSA-N	234.296	-0.320	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cccc(B(O)O)c1O	396027794	ZABGQXXMNNFCBJ-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1CC(=O)O	396133941	SKIRLPZQOCBFPF-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
Nc1csc2cc(B(O)O)cc(CO)c12	396249669	QYHFVMGBIWGSCE-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cncs1	400073411	WDKUNRFHHHQMOA-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@H](C)C(=O)NN	401874564	BBWZDZDVWGWQCB-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
Cc1cc(NS(C)(=O)=O)cc(B(O)O)c1	404909173	MNLMYXVAQLPCOK-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1	584988643	CANYCMAZJBIHKQ-LDYMZIIASA-N	233.076	-0.105	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)cc1	585001697	YXHIULWXPINDOO-SNVBAGLBSA-N	231.060	-0.351	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1n1cc(B(O)O)cn1	694534690	FRUNTLZIXVGGIY-UWVGGRQHSA-N	224.069	-0.307	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1CC(=O)NNc1ccccn1	702641045	DGTCORDMNUHGNL-VHSXEESVSA-N	249.318	-0.054	50	10	BBGE	
Cc1ccc(OCC[C@@H]2CO2)c(B(O)O)c1	718542786	LFYTVGNJBBPYBT-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
CN(CCC(=O)NN)Cc1ncccn1	718911157	WBQNYZSLKDMXON-UHFFFAOYSA-N	209.253	-0.712	50	10	BBGE	
C[C@@H](O)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	719810716	JXGFOESAZXUWIT-APPZFPTMSA-N	229.324	-0.296	50	10	BBGE	
CCC(=O)NNS(=O)(=O)N1CCC[C@H](C)C1	742025971	UIRDYGQKJGJXNQ-QMMMGPOBSA-N	249.336	-0.006	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C(=O)OC)co1	759369847	RZRHREHRFHYPDI-UHFFFAOYSA-N	241.203	-0.360	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H](O)C1CCC1	825438494	URFTVWQERBFWCJ-MRVPVSSYSA-N	229.280	-0.112	50	10	BBGE	
C[C@H]1CC(=O)N(CCC(=O)NN)C[C@@H](C)O1	829144884	WOWXKADNVMWLRD-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
CCn1ncc(C(=O)NN(C)CCOC)n1	848378020	HAGZWSJYWXZUIQ-UHFFFAOYSA-N	227.268	-0.479	50	10	BBGE	
C[C@@H]1COC(=O)C1=NNC(=O)c1cn(C)nn1	853383252	AYPOQILXTTWUOS-RXMQYKEDSA-N	237.219	-0.906	50	10	BBGE	
CCO[C@@H](C(=O)NNC(C)=O)C1CCOCC1	864427813	XWEFQCNHGOSISD-SNVBAGLBSA-N	244.291	-0.015	50	10	BBGE	
CCC/C=C/[C@@H](O)C(=O)NNC(=O)C(C)(C)O	907626091	KVEGBRYFKHWADY-HYDMIIDASA-N	244.291	-0.378	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2(C#N)CC2)nn1	1118777886	OCMSGFMKXTXQKE-UHFFFAOYSA-N	248.246	-0.730	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cncnc2)C1	1118914505	AMFMZJAXHVTOBV-SECBINFHSA-N	207.042	-0.475	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1cccnn1	1132946648	ZDVWDJOEQHJPDO-UHFFFAOYSA-N	247.214	-0.532	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc[nH]n1	1611411125	JKKDYMBWQXOPEA-NTSWFWBYSA-N	239.235	-0.553	50	10	BBGE	
OC[C@H](O)CNC[C@@H]1C[C@H]1Br	1877375415	LCKIXRDYOJGBJN-RRKCRQDMSA-N	224.098	-0.287	50	10	BBGE	
O=[N+]([O-])c1cccc(Cl)c1B(O)O	1888373522	AWLNNXAWDSHRJB-UHFFFAOYSA-N	201.374	-0.072	50	10	BBGE	
C[S@@](=O)N[C@@H](CBr)C(=O)O	1892019994	MKOPOBDTGLNDTM-ILMLOSMKSA-N	230.083	-0.282	50	10	BBGE	
C=C(CN(C)C[C@@H](CC)OC)B(O)O	1895213245	YIMJLYCVJXXTQN-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCS1	1895238521	HNEASCDGVUUWSK-SSDOTTSWSA-N	213.067	-0.986	50	10	BBGE	
CCNC(=O)CCN1CC[C@](C)(B(O)O)C1	1902518552	UKMQAFLVFOFWRY-JTQLQIEISA-N	228.101	-0.549	50	10	BBGE	
COC[C@H](C)OC(=O)N1CC[C@@H](B(O)O)C1	1902548135	HPLMWLWFYQSXFD-JGVFFNPUSA-N	231.057	-0.293	50	10	BBGE	
C=CCN(CC)c1cc(B(O)O)c(F)cn1	1903006549	VFYQBQCGOUDSFC-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1909716884	WOVWUYKUAHFMHA-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
Cn1cc(C=CC(=O)NNC(N)=S)cn1	1911736793	MXPPPRFZWNCVFG-UHFFFAOYSA-N	225.277	-0.702	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915524616	OTYWTJLFKAWABW-ZETCQYMHSA-N	230.312	-0.803	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCC12CC2	1915586662	ACXCSDOXCYGKPS-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1CNC(=O)CCl	1924622336	LRXDXGNJAAPJRH-JGVFFNPUSA-N	220.700	-0.082	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)[C@H](F)C1	1927812235	HIEWDUGNWYWCEQ-RFZPGFLSSA-N	229.177	-0.397	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1CN(C)C1	1928161251	RGTWOBYWAKYCSY-SECBINFHSA-N	214.313	-0.753	50	10	BBGE	
CCON(C(C)C)[C@@H](COC)C(=O)NN	1928664133	ZTIAVXNBEAQTPS-QMMMGPOBSA-N	219.285	-0.347	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)[C@H](C)CCO1	1929658959	GZQCYEXRICFBJU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
OC[C@H]1CCN1C[C@@H](O)CBr	1929729444	OCZQLEUITCBJSN-RQJHMYQMSA-N	224.098	-0.191	50	10	BBGE	
CCCn1nccc1C(=O)NNCCO	1930811984	CJVKDSCLNILFEC-UHFFFAOYSA-N	212.253	-0.480	50	10	BBGE	
NNC(=O)C(=O)N1CC([C@H]2CC2(F)F)C1	1933052314	TZLJOKRNADHWRU-RXMQYKEDSA-N	219.191	-0.910	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935943533	FBWVYFXHHCCEGI-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@H]1C[C@H]1C(=O)NN	1936095076	TVCJWROIOIHAPG-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCN1[C@@H]2CC[C@@H](C2)CS1(=O)=O	1936150100	AEPDQDACCRTSOL-JGVFFNPUSA-N	247.320	-0.820	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](C2CC2)CC1	1936186552	UWKRZTVBSPPFBR-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1SCCN(CCOCC(=O)NN)[C@H]1C	1936533373	HMKFUQXWTVCCGU-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@H]1C2	1936758691	JUPLTHFNNNDPBO-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CN(CCOCCCl)C(=O)Cn1ccnn1	1937148506	FLSNLJPGRIQWKG-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
COC[C@@H](COCC1(C(=O)NN)CC1)OC	1938248177	BVIGWDBGWVPJLB-QMMMGPOBSA-N	232.280	-0.566	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940645185	PGGRDGGCMCTKDN-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1C[C@H]1C[C@H]1C(=O)NN	1941085906	GCFUMZRBDHMIQY-RNFRBKRXSA-N	239.235	-0.274	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOCC12CCC2	1941086409	RHEDXQCWDSSOIY-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CCCNC(=O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1941086495	IXPLMVLENFCDOJ-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
CC1(C)C[C@H](CO)N(CCOCC(=O)NN)C1	1945906927	WIYBAYAKCQIMPJ-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@H](B(O)O)C2)C[C@H]1F	1951321637	AOCWLZJQELUILV-OOZYFLPDSA-N	215.033	-0.190	50	10	BBGE	
COc1ncc([C@@H](N)[C@H](O)C#N)c(OC)n1	1953032473	ZSGVBHSFVFZESJ-RNFRBKRXSA-N	224.220	-0.622	50	10	BBGE	
CO[C@H]1CC(C)(C)CC[C@@]1(N)B(O)O	1955784595	JYWMRUXXQVDORH-CBAPKCEASA-N	201.075	-0.079	50	10	BBGE	
CCS(=O)(=O)CCN(C)C[C@H](O)CCl	1956771931	FNIXYHWXJPRRPO-MRVPVSSYSA-N	243.756	-0.047	50	10	BBGE	
CCc1cnn(-c2nc(B(O)O)cs2)c1	1961709755	BYEIPTZABMJUQF-UHFFFAOYSA-N	223.066	-0.429	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@H]2CCCOC2)C1	1981090118	ZSVZNXNVZUNAJD-DTWKUNHWSA-N	229.280	-0.303	50	10	BBGE	
CN(CC(C)(C)C)c1ncc(B(O)O)cn1	1981409459	NDOPRIJZKOMIIX-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ncccc1B(O)O	1981425389	FZVQRXTVBIEINK-JGVFFNPUSA-N	224.044	-0.302	50	10	BBGE	
OB(O)c1csc(N2CC3(CC(F)C3)C2)n1	1981468749	HXKVILLXNHXXHI-UHFFFAOYSA-N	242.084	-0.239	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@@H]1CC[C@@H](C(=O)NN)C1	1985745208	VFLDXNQUSPBSGO-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCC(F)(F)C(=O)NN)C1	1986237632	YYLYGWWPYNGKLP-KNVOCYPGSA-N	237.250	-0.279	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1[C@H](C)F	1990776389	KAXGGBQEMGCVAC-CBAPKCEASA-N	231.271	-0.024	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)C=CC(=O)Cl	1991650364	NAGYRXPWYSTXOI-CTIUBKRGSA-N	244.678	-0.461	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)/C=C/C(=O)Cl	1991704912	YHPYMXGZHHBZJJ-HRJJCQLASA-N	244.634	-0.819	50	10	BBGE	
CC(F)(F)CCCC(=O)NCC#CB(O)O	1993576530	VRFHVBDRALCWHF-UHFFFAOYSA-N	233.023	-0.057	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@@H](CO)CCC12CCC2	1994869284	UYDNGEJCFJPRTK-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
NC(=S)NNC(=O)C1C[C@H]2COC[C@H](C1)C2	1995154686	YGBFODOAMJXERR-BQBZGAKWSA-N	243.332	-0.087	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1995925333	DTXBLDPJVIHGDF-ONGXEEELSA-N	247.314	-0.203	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@@H](C)[C@@H](C)C(=O)NN)C2	2001049786	QISUFRYNJHWBIN-DTHBNOIPSA-N	241.335	-0.031	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@H]2CC[C@@H]21	2002916715	PJJSHVLDEKYAJE-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CN(CCOCC(=O)NN)C1(CO)CCCC1	2003912653	GPABEYMQURFXQT-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COC(C)(C)COc1nccc(C)c1B(O)O	2004925221	NWDIQZAYSIQVIG-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
Cc1ncnc(Sc2cnccn2)c1B(O)O	2004990679	JYCXEWVDLPLDFP-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2nc(C)nc2C)n1	2005005175	NKIMBYLGOGFIFG-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
CCc1cnn(-c2ncc(B(O)O)cc2F)c1	2005009518	OLZIFZFQWGQPGV-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
Cc1nc(C(N)=O)ccc1O[C@@H](C)C(=O)NN	2007700708	LINWBKBXZJWLIV-LURJTMIESA-N	238.247	-0.754	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCOCC12CC2	2008874857	ZEAMHNNQKZEWPO-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011298020	SSNMJTMZELAGET-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CN(C[C@]12C[C@](C)(CCO1)C2)C(=O)C(=O)NN	2018237985	LWSJOJNUXVJEHR-PHIMTYICSA-N	241.291	-0.606	50	10	BBGE	
CC1(C)OCCC[C@H]1C(=O)NCC#CB(O)O	2021113940	KFFHYHIYUJUNAA-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ccnc(O)c2C1	2025570475	PXIYDFUHLJBJAQ-SSDOTTSWSA-N	236.275	-0.476	50	10	BBGE	
Cc1nc(N2C[C@H]3CCCC[C@@H]32)ncc1B(O)O	2052552949	AEFFTGXJPWWDHR-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
O=C(CCn1cccn1)N[C@@H]1CCC=C1B(O)O	2076076049	JSGZYUOSNDXMRX-SNVBAGLBSA-N	249.079	-0.510	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1C[C@]12CCOC2	2077648704	NMMMOHMEXCRHHG-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2	2079012169	POKUUONSXRGTAE-ZWNOBZJWSA-N	245.087	-0.152	50	10	BBGE	
O=C(CBr)NCC#CCCO	2208941507	TUFCHZMOLLLUQB-UHFFFAOYSA-N	220.066	-0.117	50	10	BBGE	
O=C1CCC2(CN(C(=O)CBr)C2)N1	2209343051	QBQLVYSYXXTUBQ-UHFFFAOYSA-N	247.092	-0.128	50	10	BBGE	
NNC(=O)N1CC[C@@H](O)CCCC[C@@H](O)C1	2211926090	YWOSSJJLRHEPOV-DTWKUNHWSA-N	231.296	-0.442	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2[C@H]1C2(F)F	2212337423	PWIWKDFFAGPAFY-KVQBGUIXSA-N	233.218	-0.522	50	10	BBGE	
OB(O)c1cccnc1NCc1cncs1	2212601361	MZIAASNDLHKDET-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
CS[C@H](C)CCN=c1cc(B(O)O)cc[nH]1	2212610217	FEGHNGCZEJVEAS-MRVPVSSYSA-N	240.137	-0.263	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCOC2)c1	2212610429	IOYFBXCMSPEZQC-QMMMGPOBSA-N	222.053	-0.790	50	10	BBGE	
C[C@@H](C#N)CN(C)c1ncccc1B(O)O	2212611012	SSDDZJJFYMBUGK-QMMMGPOBSA-N	219.053	-0.643	50	10	BBGE	
OC[C@@H]1C=CCN1Cc1cccc(B(O)O)c1	2214596429	QESSVIHEMCUFAK-LBPRGKRZSA-N	233.076	-0.901	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(CC2(C(=O)NN)CC2)C1	2214801246	OZGLLMXAAOSXCS-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CC2(C(=O)NN)CCC2)C1	2216495806	UEKFVGOCMIQDDP-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)N1CC(Nc2cc(B(O)O)ccn2)C1	2217175612	LDMCMMHAJMWPRQ-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
CC[C@@]1(O)CCN(c2ncccc2B(O)O)C1	2217177955	PLFPOPYAAHGVJX-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CC[C@](C)(O)CNc1cc(B(O)O)c(C)cn1	2217180005	PWOLZMRYSHWTMK-NSHDSACASA-N	238.096	-0.357	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cn2)CCNC1	2217180758	VQRDDCSVTKRTJS-NSHDSACASA-N	236.080	-0.860	50	10	BBGE	
CC1(C)C[C@H](N)[C@H]1Oc1ncccc1B(O)O	2217187398	YBBFKVQEDFVHAT-DTWKUNHWSA-N	236.080	-0.734	50	10	BBGE	
CN1CCCN(c2cc(B(O)O)ccn2)CCC1	2223624891	BVVYYCGZLIDANT-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1nccn1C	2223643755	ZWWYSLZTNQHVES-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H]2N(C)C)cc1B(O)O	2223645253	USHDQHXVYFATJH-QWRGUYRKSA-N	249.123	-0.426	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCNC[C@H]32)nc1	2223648207	IOTBIZCDIAVAHG-GMTAPVOTSA-N	247.107	-0.971	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCC[C@H]2CNC3)c1	2223667398	PPYIKIIOSRSXST-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2223672101	DAGAFDRNDJSPPM-QCZKYFFMSA-N	246.119	-0.113	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2223672604	GVJRGPWSFISCJT-JJGODUAKSA-N	244.103	-0.148	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223677770	SIIIANZWMFITDS-PHIMTYICSA-N	247.107	-0.956	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)nc1	2223678384	BAGPHGUCYYVLLH-DLGSQSEFSA-N	245.091	-0.387	50	10	BBGE	
CC[C@H](CSC)NC(=O)C#CB(O)O	2241476154	MPRTYYZVGBMJBH-SSDOTTSWSA-N	215.083	-0.740	50	10	BBGE	
CC1(C)OB(C#CC(=O)NN)OC1(C)C	2241477576	OLKSXQDEFUSMCF-UHFFFAOYSA-N	210.042	-0.389	50	10	BBGE	
CCO[C@@H](C)Oc1cc(B(O)O)cnc1C	2242834184	QFDCHZZCGRMXHR-MRVPVSSYSA-N	225.053	-0.169	50	10	BBGE	
O=C(C#CB(O)O)NC1(C(F)F)CCCC1	2243356233	DJPCOCXAIQXNLT-UHFFFAOYSA-N	231.007	-0.304	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]2C1	2243358941	MCIUMEUTGTVGHV-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1occc1B(O)O	2243364789	CDGXMILIPUMVPV-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
CCCCNC(=O)c1ccc(B(O)O)cn1	2243374237	CBUICEGYEZRROT-UHFFFAOYSA-N	222.053	-0.709	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CCCCO1	2243397658	GUJPSHCSVOQQLY-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
CON(C(=O)c1csc(B(O)O)c1)C(C)C	2243404621	RARKWRXFMRFAKS-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
O=C(N(CCCO)C1CC1)C1(B(O)O)CC1	2243411184	PLWWASXZQRGIOI-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1O	2243414448	AWHGNMIELOBHIK-FKSUSPILSA-N	227.069	-0.875	50	10	BBGE	
CCN(C)C(=O)c1nccc(C)c1B(O)O	2243415006	MHIFCMHDQRPLRN-UHFFFAOYSA-N	222.053	-0.838	50	10	BBGE	
O=C(NCC1(CCO)CC1)[C@H]1C[C@@H]1B(O)O	2243415217	QJZVNWMZOKNAGI-YUMQZZPRSA-N	227.069	-0.872	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCN1	2243426363	HIRHFETVSVKDKI-XKSSXDPKSA-N	226.085	-0.892	50	10	BBGE	
O=C(CCCC(F)F)NCCC#CB(O)O	2244549018	XFEJSGNWTHTUDH-UHFFFAOYSA-N	233.023	-0.057	50	10	BBGE	
CC[C@@H](CN)Nc1cc(B(O)O)c(Cl)cn1	2245913457	RMYDKSPJOTXZDC-LURJTMIESA-N	243.503	-0.436	50	10	BBGE	
O=C(NCc1cccnc1O)C1(B(O)O)CC1	2247753570	AUVYRHSHFZEPRX-UHFFFAOYSA-N	236.036	-0.590	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)CO	2247756113	MFWGZMWECYDLPF-WPRPVWTQSA-N	241.096	-0.530	50	10	BBGE	
COc1ccc(C(=O)N(C)OC)c(B(O)O)c1	2247768017	JTJWJVXOCOONQC-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2247771165	KCVOHDLUAVUUCC-SECBINFHSA-N	234.064	-0.614	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@]2(CCO2)C1	2247787407	OUERTYYNRYWQGZ-NGZCFLSTSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@H](O)CCCNC(=O)C1CC(B(O)O)C1	2247797090	GBKJOUJQQFJNCJ-UDNWOFFPSA-N	243.112	-0.093	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CCOCC2)C1	2247805085	AUYCZESZMNOQEW-DTWKUNHWSA-N	239.080	-0.512	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCOCC1	2247807929	SHXJPIOYSXSGJV-SFGNSQDASA-N	241.096	-0.219	50	10	BBGE	
CNCC1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247810412	XFFGDQHGIHIUSB-NXEZZACHSA-N	240.112	-0.693	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC(F)CC1	2247840999	DFGMKWGUKDPVMG-UHFFFAOYSA-N	240.043	-0.731	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)C2(B(O)O)CC2)CC1	2247870444	JUELHLVMFNLSQG-RKDXNWHRSA-N	240.112	-0.230	50	10	BBGE	
COC[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894040	BPKVRZYULWTKHN-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
CC(C)[C@H](C)[C@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247898708	HCDBDVKAUWHWMT-QCLAVDOMSA-N	242.128	-0.415	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247899781	QBKVWLQCIJPGMA-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
NC[C@H]1C[C@](F)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900050	SLZWLXQYQPOBPT-DQUBFYRCSA-N	244.075	-0.958	50	10	BBGE	
C[C@H](CCN)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2248441536	GNRJBPPJJUFDIK-OPRDCNLKSA-N	242.128	-0.269	50	10	BBGE	
C[C@H]1COC(C)(C)CN1CCOCC(=O)NN	2248483454	MBXLWQFCZSIIDD-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2249416084	MTPCZRVKVJVKHI-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
Cc1cnc(N2CC[C@]3(O)C[C@H]3C2)cc1B(O)O	2254025577	QTSDGCLYDWLQFG-CABZTGNLSA-N	248.091	-0.969	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@H]32)n1	2254704941	FLEATIZEGULDIP-NQMVMOMDSA-N	249.075	-0.053	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]1CC1CC1	2255462630	XWLXDRZWVOTJFQ-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(F)c(B(O)O)c1	2255506091	PBZCISMNTZTPLC-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2CCC[C@H]21	2255508113	IOBXAYYZGAEYSE-WCBMZHEXSA-N	248.091	-0.671	50	10	BBGE	
Cn1cnc2c(NC(=O)C#CB(O)O)cccc21	2255679737	NDHOBFBPUDRKIZ-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1ccc(B(O)O)o1	2255714501	RDJIGKWXXZWELD-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ccc(B(O)O)cn1	2255716255	PNGDRGATXWOOHD-GFCCVEGCSA-N	246.075	-0.707	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H]2C[C@H]2C)n1	2255724926	JGXNHDGAJXCQPQ-VXNVDRBHSA-N	248.091	-0.544	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)C2(B(O)O)CC2)n1	2255737831	JWOPYCHTCFRZDH-UHFFFAOYSA-N	249.079	-0.283	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(F)cc1B(O)O	2255746439	YPIHNMXPAJHBPP-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)cc1O	2255953277	GPYRLGUJESLWMJ-SNVBAGLBSA-N	247.059	-0.646	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cc1O	2255956908	ISMMFDXNQZCBDW-HTQZYQBOSA-N	247.059	-0.790	50	10	BBGE	
C#CCCN(C(=O)c1cocc1B(O)O)C(C)C	2258138103	FTPZNERYPNCCRW-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368440	DXXBYJQIATWQKS-VFCFLDTKSA-N	241.096	-0.533	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](N2CCC2)C1	2298368608	OCWUNPHOKYMPEP-KXUCPTDWSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@]12CCCNC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2298371827	WZKNSJXQZBXHRU-CDLYGTGVSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)CN	2298376102	IDAFCFFTWAHMLQ-QCBRBAQYSA-N	240.112	-0.707	50	10	BBGE	
COC[C@H](OC[C@H]1N(C)CC1(C)C)C(=O)NN	2299035305	MFTBZXYTEXMSRM-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
C[C@]1(N)CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(F)F	2299950118	HYZDQLQBBQIYMD-HAFWLYHUSA-N	248.038	-0.956	50	10	BBGE	
Cc1cn2c(n1)CCN([C@@H](C)C(=O)NN)CC2	2300650576	MJVGQKUEHNRSHZ-VIFPVBQESA-N	237.307	-0.572	50	10	BBGE	
C[C@@H](COC[C@@H](C)N1CCOCC1)C(=O)NN	2301604418	CLEDXXXRKVGJTJ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	2302059441	KGFCAPLZXNHOHR-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN[C@@H]2CCC[C@@H]21	2302885258	OEHFROQZOXGDMW-JLIMGVALSA-N	238.096	-0.798	50	10	BBGE	
NCCCNC[C@@H](O)CBr	33953122	KAIYJLONZWCNDV-LURJTMIESA-N	211.103	-0.319	50	10	BBGE	
C[C@@H]1C(=O)NCCN1CCCCCC(=O)NN	71292112	UGMALHRGLGWMEC-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC[C@@H](OC[C@H]1CCCO1)C(=O)NN	82463853	NVEUMRIUEMAWTN-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CCO[C@H]1CCCN(CCC(=O)NN)C1	82470902	JHIULOLZYWFXDZ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H]1C(=O)NCCN1C(=O)NC(=O)[C@@H](C)Cl	82476168	FDFADVNCMYBZIK-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)CCl	85087000	BARQVTBMIWYUDH-SCSAIBSYSA-N	204.613	-0.901	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)[C@@H](C)COC	110595005	COOVZTCWPMSKLP-ZJUUUORDSA-N	247.339	-0.404	50	10	BBGE	
C[C@H](Cc1ccc(B(O)O)cc1)C(=O)O	196685638	GTLILDHGLPSBEN-SSDOTTSWSA-N	208.022	-0.370	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	219256758	SWDYFUKXYTUSKH-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
Cn1nnc(NS(=O)(=O)CCCl)n1	232300671	GQKDBRLCOYMXLL-UHFFFAOYSA-N	225.661	-0.809	50	10	BBGE	
COC(=O)[C@@H](Br)CNCCN	234569934	BAQCXHMWNQSZRZ-YFKPBYRVSA-N	225.086	-0.529	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252845940	CLJQXXCWNCTJME-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
CNNC(=O)c1ccc2[nH]c(=O)[nH]c2c1	259050085	VBWMVJIGTBGXFU-UHFFFAOYSA-N	206.205	-0.280	50	10	BBGE	
Nc1cc2c(N)c(B(O)O)ccc2s1	306689218	NUJMFNDMBOVVEP-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=[N+]([O-])c1ccc(Br)nc1B(O)O	307264205	BHBIJYFJVFEUGI-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C)CCC(=O)NN	309426739	YRCQPMLBFGXNMD-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
COC1CN(Cc2cc(C(=O)NN)co2)C1	309442794	ZVDQMUSGOUOAOL-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
C/C(=N\NC(N)=O)[C@@H]1COCC[C@@]1(C)O	379699829	CXFDDOZNGWTUKH-BTNKMJATSA-N	215.253	-0.182	50	10	BBGE	
Cn1ncc(C(=O)N2CCO[C@@H](CCl)C2)n1	380856646	FUBAUFPHKOWLJE-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
C[C@@H](CN1CCC[C@H](CO)CC1)C(=O)NN	382154098	QQSIBRBYBYTWLZ-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)[C@H]1CCOC1	387038998	UNTNUPXZDPZGBZ-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(O)cc(B(O)O)c1	396019679	GKPYHXBNLVXMCU-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)cc1F	396028305	SXBPSBICBUXVKF-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
N#CCCc1ccc(C#N)c(B(O)O)c1	396093440	CEGWTIVRMACGQR-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
Nc1cc2ccsc2c(B(O)O)c1C(=O)O	396253308	ZRXVTBFAOGBHOQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
COC[C@H](O[C@@H](COC)C(C)C)C(=O)NN	404139500	YJRTZNWCUMWPNP-IUCAKERBSA-N	234.296	-0.321	50	10	BBGE	
C[C@@H](CN(C)C[C@@H](C)CO)C(=O)NN	688388693	UMWZPGZMDHORBJ-SFYZADRCSA-N	203.286	-0.827	50	10	BBGE	
COCCNC(=O)CN1CCC(O)(C#N)CC1	692120449	JEUZLAGMJJMMJI-UHFFFAOYSA-N	241.291	-0.901	50	10	BBGE	
C/C(=C/Cl)Cn1ccc(B(O)O)n1	694230453	UCTQOGDEUVLIPJ-XQRVVYSFSA-N	200.434	-0.295	50	10	BBGE	
O=S(=O)(CCCl)N1CC2(COC2)C1	697119229	BEVQIRQMOIETJL-UHFFFAOYSA-N	225.697	-0.113	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)C[C@H]1CO	700399560	SPKSROMSNKQFQH-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(OCCOC)C1	707347420	QWRAGFMJBIRHJR-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@](C)(CO)COC	708525859	HWJBCDYOJWTNBK-MWLCHTKSSA-N	247.339	-0.526	50	10	BBGE	
CCC1(N)CCN(CC(=O)NNC(C)=O)CC1	714760310	YCOBZCPMPSBNJH-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
C#CC[C@@H](O)CNS(=O)(=O)CCCl	717913585	RHCQSHQLQKJRCW-SSDOTTSWSA-N	225.697	-0.471	50	10	BBGE	
CN1C[C@@H](CN2CCC(O)(C#N)CC2)CC1=O	722729746	BLTALLGRPPRBIE-JTQLQIEISA-N	237.303	-0.185	50	10	BBGE	
CCC(=O)NNS(=O)(=O)N1CCC[C@@H](C)C1	742025969	UIRDYGQKJGJXNQ-MRVPVSSYSA-N	249.336	-0.006	50	10	BBGE	
COC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	814188354	ZLZHBNJIKFGAGT-HTQZYQBOSA-N	245.279	-0.469	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)C#N)O1	862888736	YNDZSVIPUSTPRO-CSMHCCOUSA-N	225.248	-0.139	50	10	BBGE	
C/C(Cl)=C\C(=O)NNC(=O)[C@H]1COCCO1	900909627	ZVGWITODVBIWRO-PTYLAXBQSA-N	248.666	-0.308	50	10	BBGE	
COCC(=O)NN=Cc1cnn(CCF)c1	905454772	PMFPHCMEZWJHBR-UHFFFAOYSA-N	228.227	-0.051	50	10	BBGE	
CNC(=S)N(C)NC(=O)Cc1cnc(C)o1	909993946	RTBCAIHJZOGEQU-UHFFFAOYSA-N	242.304	-0.007	50	10	BBGE	
COCC(=O)NN=C(C)[C@H]1COCCO1	1116279826	NJVNSTGORWKWOU-MRVPVSSYSA-N	216.237	-0.460	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)c1cccc(Cl)n1	1453455051	YPVBOYDQSZGYTO-RXMQYKEDSA-N	243.650	-0.123	50	10	BBGE	
CCNC(=O)NNC(=O)c1cncc(C=O)c1	1464487522	VWHDNCHQTMBGKZ-UHFFFAOYSA-N	236.231	-0.142	50	10	BBGE	
CC(=O)NNC(=O)Cc1c(C)nc(C)nc1O	1540576401	MQOXPCKMGOGLJA-UHFFFAOYSA-N	238.247	-0.491	50	10	BBGE	
COC(=O)CC(=O)NNc1nccnc1OC	1570386685	GVDHEWHIXHJETC-UHFFFAOYSA-N	240.219	-0.509	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cc(C)no1	1626582248	JMHGLSPEUIFJQV-UHFFFAOYSA-N	212.209	-0.514	50	10	BBGE	
CC(C)NC(=O)NNC(=O)/C=C/C(=O)N(C)C	1631558076	XUSXHYQYZONKBD-AATRIKPKSA-N	242.279	-0.630	50	10	BBGE	
CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1	1638526344	KVXIPOJHZLKFRG-HTQZYQBOSA-N	230.264	-0.669	50	10	BBGE	
N#C[C@@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1C2	1648686241	NCABXGBKUIUTJX-LAEOZQHASA-N	237.259	-0.544	50	10	BBGE	
COc1nccc(C(=O)NNc2nc[nH]n2)n1	1654621468	FCDUTULNQDZTOA-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
NCCS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1881375088	YTMJSLADALBVPJ-NTSWFWBYSA-N	212.702	-0.508	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)NC1CC(Cl)C1	1881807197	HAURLOWPMTUKBD-BLOUUBGSSA-N	206.673	-0.420	50	10	BBGE	
NC(=O)NC1CN(C[C@H]2C[C@H]2Cl)C1	1883553598	REPONXVIPUXNEY-IYSWYEEDSA-N	203.673	-0.034	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CC(C)(C)C(=O)NN	1885872223	KJUXCMUAEFNWMT-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]1CF	1886122587	NUCPTHIAKSLGPZ-XLPZGREQSA-N	201.245	-0.344	50	10	BBGE	
CO[C@H]1CCNC[C@@H]1C(=O)NN(C)C	1886166704	BKRZPLYJJGIMQL-YUMQZZPRSA-N	201.270	-0.796	50	10	BBGE	
Cc1c(C=O)cc(CS)cc1B(O)O	1887507821	MEGBKAQESMEOSQ-UHFFFAOYSA-N	210.063	-0.083	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CCC(=O)NN	1890503480	KKYCLVCAKIZJDJ-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
O=C(CBr)NCC[C@H](O)CCO	1893419763	RPOQXOIMHWVSSH-LURJTMIESA-N	240.097	-0.369	50	10	BBGE	
NCC1(CNC(=O)[C@@H]2C[C@@H]2Cl)COC1	1893462588	ZVYMROKVEQZONR-RQJHMYQMSA-N	218.684	-0.295	50	10	BBGE	
CO[C@H](CNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893474587	KOGAXTJAIZYDFH-HSUXUTPPSA-N	221.640	-0.171	50	10	BBGE	
NC(=O)[C@@H]1CN(C[C@@H]2C[C@H]2Cl)C[C@H]1C(N)=O	1897144456	QGVZWVRXKXMTEC-LXGUWJNJSA-N	245.710	-0.868	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1897340092	MKCWEIMXJZDILG-AATLWQCWSA-N	227.308	-0.687	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(CCCC(=O)NN)C2	1901298719	CEXITUUIHDPPJE-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1CNC[C@@H]1CC(=O)NN(C)S(C)(=O)=O	1901338636	AGUXULOEGSILFY-YUMQZZPRSA-N	249.336	-0.845	50	10	BBGE	
COCC1(CN2CC[C@@H](B(O)O)C2)COC1	1902546332	NDRLTLLSMDXVOB-SECBINFHSA-N	229.085	-0.802	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2O[C@H]3CC[C@H]2C3)c1	1905110282	MBWMZTFUSDRKLY-HGNGGELXSA-N	222.053	-0.870	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@@H]2C[C@@H]21	1909450085	RZDZJAWASBQYHC-UTLUCORTSA-N	233.076	-0.426	50	10	BBGE	
CC[S@@](C)(=O)=N[C@@H](COC)C(=O)NN	1913889106	UOGBPZKMKQYIQK-DXRPGJJCSA-N	223.298	-0.891	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@](F)(CO)C1	1917100824	NREZIORVMFFSPA-JTQLQIEISA-N	233.287	-0.447	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnc(O)[nH]1	1923407803	HSIMROJMYGKWQY-UHFFFAOYSA-N	238.125	-0.561	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)C(F)(F)F	1923449960	UVHPIBLBZIGLDJ-VKHMYHEASA-N	209.127	-0.144	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)CC2(CC2)C1	1926434242	OTJKCNNAAKMNCK-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
CN(C)C(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927917759	MPXZJORVLVBQOB-NKWVEPMBSA-N	231.321	-0.566	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCO2)O1	1928677258	WORYBDUVVUVSQU-YUMQZZPRSA-N	215.253	-0.839	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CN(C)C[C@H]1O	1928757088	AAXMKQLGPBKORR-LYFYHCNISA-N	206.673	-0.595	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)[C@H](C2CC2)C1	1929066108	FSAMXLBGGJZROB-DTWKUNHWSA-N	213.281	-0.931	50	10	BBGE	
CC(C)([C@@H]1CCCCO1)[C@H](N)B(O)O	1931473896	XMBCSVJSDCTSRI-YUMQZZPRSA-N	201.075	-0.079	50	10	BBGE	
CC(C)(O)C1CN(CCC(=O)NN)C1	1932096881	VHAAZNZCKBLTMD-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](COC)CC(=O)NNC(N)=O	1932154508	FMSUVRVCHPQZCQ-LURJTMIESA-N	203.242	-0.251	50	10	BBGE	
O=S(=O)(CCCl)NCc1ncno1	1932169264	PDCNQSKTSWPSSD-UHFFFAOYSA-N	225.657	-0.272	50	10	BBGE	
CN(CC(=O)NN)C1CC(C(F)F)C1	1932750674	BDSONVKGCFUAHQ-UHFFFAOYSA-N	207.224	-0.048	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](O)CC1	1936090797	JNYDWSYVYWJTQR-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCO1	1936094143	KTUWBGMSHCJLKZ-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](C2CC2)CC1	1936186549	UWKRZTVBSPPFBR-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]2(CCCO2)C1	1937990221	ZKLPHOXYBKXBFV-JTQLQIEISA-N	227.264	-0.852	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H]2CCC[C@H]21	1941080914	WCFOVCGAWYBITG-GWOFURMSSA-N	239.319	-0.134	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1941085721	FJUXGMLLULRLKA-ZNSHCXBVSA-N	238.335	-0.609	50	10	BBGE	
COCC1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941089411	VOYHQNZABKIRJH-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941089676	KWSCEKHFSXDXBF-LMLFDSFASA-N	240.351	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@@H](N)C1	1950190827	HLFSRVIVHVLRDT-NXEZZACHSA-N	242.323	-0.645	50	10	BBGE	
CCN(CCCl)[C@H]1CC(=O)NC1=O	1954036876	MCEHHTKCSDOTEE-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[S@](=O)CC1CN(C[C@@H](Cl)C(=O)O)C1	1954990592	IZXLJTPFEAPIKP-UOWDBTKRSA-N	239.724	-0.011	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]1C(F)(F)F	1955729483	ZOFRORCMNSPZFR-PWNYCUMCSA-N	211.143	-0.957	50	10	BBGE	
CC1(C)CN(C[C@H](O)CCl)CC(=O)N1	1956260508	MDVYIZNFKLNCKY-SSDOTTSWSA-N	220.700	-0.204	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@]12CC2(F)F	1956892312	WCBQYLFBKZFDMZ-FSPLSTOPSA-N	206.192	-0.355	50	10	BBGE	
CC1(F)CN(c2nc(B(O)O)cs2)C1	1956964552	GHHDAMHPRSXZSE-UHFFFAOYSA-N	216.046	-0.629	50	10	BBGE	
O=C(NCB(O)O)c1ncoc1C(F)F	1958687959	CHVRXGXFBOMDHS-UHFFFAOYSA-N	219.940	-0.646	50	10	BBGE	
C[C@H](CC(=O)NN)N1Cc2conc2C1	1958699497	NHIHVFLYIRLGIE-ZCFIWIBFSA-N	210.237	-0.241	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1NC(=O)C(=O)NN	1959143633	KMOXPTZOGNRKIB-DZSWIPIPSA-N	225.170	-0.567	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCNO)CC1	1959707859	PIUGLEXBTFJGMT-UHFFFAOYSA-N	213.237	-0.768	50	10	BBGE	
CCN1CCN(C(=O)NC(=O)CCl)CC1=O	1976103486	CLBYSVARSAMYHQ-UHFFFAOYSA-N	247.682	-0.375	50	10	BBGE	
CC(C)OCC1CN(C[C@@H](C)C(=O)NN)C1	1979179148	IDQOXWGEPRNGFL-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
CC(C)CCN(C)c1ncc(B(O)O)cn1	1981409239	KOMOJMUQIWMCEI-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
C[C@H](O[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	1986221012	HYHSEZQUZATBQL-FXQIFTODSA-N	225.252	-0.623	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(C1)OC[C@H](O)[C@@H]2O	1986231099	PBULZQNYTMSFHG-CSMHCCOUSA-N	249.694	-0.806	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)CCCC(=O)NN	1988558372	WMFLCFQVCDCXJT-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CC12CCC(C(=O)NNCCO)(CC1)CO2	1988617212	SWVDUHCITGOKGU-UHFFFAOYSA-N	228.292	-0.051	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@]1(C)CCOC1	1990776561	MNDSOGYWYAJIOJ-JTQLQIEISA-N	229.280	-0.736	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	1991331501	PHQHFSXZEBGUKK-RTDTXEGNSA-N	221.065	-0.427	50	10	BBGE	
CN1CCN(C(=O)CNC[C@@H]2C[C@@H]2Cl)CC1	1991453142	VTCBGDPBBAPCMZ-UWVGGRQHSA-N	245.754	-0.023	50	10	BBGE	
O=C([C@H](Cl)[C@H]1COCCO1)N1CCOCC1	1991788789	HXDTWTVEYSAZIN-RKDXNWHRSA-N	249.694	-0.132	50	10	BBGE	
CC(C)(CN1CC[C@H]2COC[C@@H]21)C(=O)NN	1992336643	DOWBGYZYMHGIIK-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C#C[C@H](C1CC1)N(C)CC(=O)NNC(C)=O	1993828609	AHVTYOMRTLSQMB-SNVBAGLBSA-N	223.276	-0.503	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477647	MGADIGUKUHLJLW-HPHBORHKSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H](CF)C2)nc1	2004912054	NZSGPCIYHAXOCS-MRVPVSSYSA-N	239.059	-0.658	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCCCO2)n1	2005016081	KHRQRJDOWXRRDH-UHFFFAOYSA-N	237.068	-0.695	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H](CCO)O1	2009339677	UVGHANLJVCAABW-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@H](CC)C(=O)NN	2014222284	RSOXDCWQUDMZAU-HBNTYKKESA-N	240.351	-0.077	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC2CCC1CC2	2021156643	AKKBCASJYMIVBW-ILDUYXDCSA-N	235.092	-0.056	50	10	BBGE	
C=C(CN(CCOCC)CCOCC)B(O)O	2021159377	RTEDBPDXDMRJFC-UHFFFAOYSA-N	245.128	-0.070	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccccc1B(O)O	2022196567	OHPGLVGWJNSLKY-IUCAKERBSA-N	233.076	-0.248	50	10	BBGE	
NNC(=O)CCN1CCC(OCCCO)CC1	2026351685	PKFMGRFUPNWKST-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1C[C@@H]1C1CC1	2040766669	HHTNUOVUSVLHQI-RKDXNWHRSA-N	247.063	-0.859	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC=C[C@@H](O)C1	2046612138	RGDRFNDDEFNRLS-NEPJUHHUSA-N	247.298	-0.050	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@@H]3C[C@H]32)c1B(O)O	2052557023	QHYJMSPRQLUERP-OPRDCNLKSA-N	247.107	-0.300	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@H]2C)c(B(O)O)c1	2052626186	TWFKAOUULOAXLX-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)CCCN1CC(O)(c2ccccc2)C1	2057647200	DFPQEUQWFOAEHC-UHFFFAOYSA-N	249.314	-0.040	50	10	BBGE	
Cc1nc(NC(=O)[C@]2(C)C[C@@H]2C)ncc1B(O)O	2069485116	RKVKKVPIBFVKHP-UPONEAKYSA-N	249.079	-0.551	50	10	BBGE	
Cn1cc(COCc2ccc(B(O)O)cc2)cn1	2080345772	FOEXBJROXRZRGF-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C=CCCOC(=O)N[C@@H](CB(O)O)C(=O)O	2212130532	WVYPEOFGMKXRFL-LURJTMIESA-N	231.013	-0.785	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CCCO)C1	2212350070	ZKTAIYZSGLOGLO-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](COC)Oc1cncc(B(O)O)c1	2212564044	SMJIOFXJIKINNB-SECBINFHSA-N	225.053	-0.435	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1F)C1CC1	2217066643	KBJIYCPOTKHZDD-UHFFFAOYSA-N	241.002	-0.007	50	10	BBGE	
Cc1cnc(O[C@@H]2CCC[C@H]2N)cc1B(O)O	2217168761	XRODUZIYQUXMDY-NXEZZACHSA-N	236.080	-0.672	50	10	BBGE	
CCC1(CNc2ncccc2B(O)O)CNC1	2217202701	YWCOJOKWRBRPHT-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)no1	2217202781	ZTDMHZJYNYVSQV-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCC[C@H]1O	2217203994	CVHSXOCJMCOGIP-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1[C@@H]2CNC[C@@H]21	2220053246	CEZJJWDUXAYAST-CLLJXQQHSA-N	246.119	-0.984	50	10	BBGE	
CCN[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220070235	RLXPTSVRFVKAIS-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@@H](C)CN1C	2222181952	SLNGJBHFUZRUPX-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
Nc1ccc(CNc2cc(B(O)O)ccn2)cc1	2223632912	PPKVHMDZTFWXCU-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
Cc1cnc(NC2CCC(N)CC2)cc1B(O)O	2223642384	IHNYFIOCWPFEAQ-UHFFFAOYSA-N	249.123	-0.248	50	10	BBGE	
OB(O)c1ccc(N[C@@]2(C3CC3)CCOC2)nc1	2223653359	QFXPXBRQWCBJGB-LBPRGKRZSA-N	248.091	-0.258	50	10	BBGE	
Cc1nc(CNc2ncc(B(O)O)cn2)c(C)o1	2223668556	YDGWFUYRRVGZRE-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
CC1(C)C[C@H](Nc2cc(B(O)O)ccn2)CCN1	2223668798	BJDRZJBHVRWGRZ-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
C=C[C@@]1(O)CCCN(c2ncccc2B(O)O)C1	2223674299	KCLWCPMACGPMEF-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
Cc1nscc1CC(=O)NNC(N)=O	2241359467	HDHPZTORIJLUNL-UHFFFAOYSA-N	214.250	-0.306	50	10	BBGE	
O=C(NC1CC(F)C1)[C@@H]1C[C@@H]1B(O)O	2241495592	LBIBEORNRDVRER-KBGZMJGOSA-N	201.006	-0.534	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC[C@H]1CCO1	2242550270	YRABLOYNRJNWBH-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cscc1B(O)O	2243349208	HUXRKIDTOFKHIW-ZETCQYMHSA-N	237.089	-0.124	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC(F)(F)C1	2243357152	SDMTWCNPCUQHPP-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@]12CC2(F)F	2243362871	XRIBVPLMPNOFHS-SVRRBLITSA-N	228.991	-0.837	50	10	BBGE	
O=C(N[C@@H](CO)C1CCC1)C1(B(O)O)CC1	2243363549	INRYPTSJLLSYJS-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1scc(C)c1B(O)O	2243377761	GTAJPTFFXVPQIE-SSDOTTSWSA-N	237.089	-0.512	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N1CCCC1	2243385402	IHDUUFJADMRLRH-UHFFFAOYSA-N	240.093	-0.633	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2243391046	FPGZYOSEAGRBIY-BQBZGAKWSA-N	223.041	-0.803	50	10	BBGE	
CCC1CN(C(=O)c2csc(B(O)O)c2)C1	2243407577	VLQPWGBEHQZPEK-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CC(C)(C)[C@@H](CO)NC(=O)C1(B(O)O)CC1	2243410986	LWTGLFHWJGVIPQ-SSDOTTSWSA-N	229.085	-0.483	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CCC2)CC1	2243411313	RHOJLSKVTGVJOL-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
Cc1ncoc1CNC(=O)C1(B(O)O)CC1	2243411336	RPEPQPVBJONBNT-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
N[C@@H]1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2244732566	HZGBDBMDWVPVEO-DFAZKQQPSA-N	226.085	-0.907	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CN3CCC3)(C1)OC2	2245521657	XIWOLASZQOAQJI-QWRGUYRKSA-N	225.292	-0.379	50	10	BBGE	
Cc1cc(C(=O)N2CC=CC2)ccc1B(O)O	2247751845	CYODYSVZQGEFKM-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
CC(C)[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CO1	2247757248	PWLYYRXLZVVBIF-DTWKUNHWSA-N	241.096	-0.077	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2247761110	RBYIHTKNMWVYDR-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](F)C[C@@H](O)C1	2247785674	OUUMUOXESFRWCB-UYXSQOIJSA-N	245.059	-0.829	50	10	BBGE	
NC(=O)CCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788104	ZIEZWMNAMRXTBC-OCAPTIKFSA-N	242.084	-0.989	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1ccncn1	2247798447	UGYUDTQKMUGIHM-UHFFFAOYSA-N	235.052	-0.308	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(OC(F)F)C1	2247798600	VTJUNVHVEDBHGB-UHFFFAOYSA-N	249.022	-0.311	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247803411	AYUOOLSHHJPLGP-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)[C@H]2C[C@H]2B(O)O)CO1	2247807432	IBTMRZNKGHFRSW-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247810599	YSLJRKSVCDOSFO-HRDYMLBCSA-N	240.112	-0.552	50	10	BBGE	
Cc1ncccc1[C@@H](C)NC(=O)C#CB(O)O	2247847366	WGPRLTYKXJWWFK-SECBINFHSA-N	232.048	-0.417	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@H]2CCCC[C@H]21	2247847677	AEQJPGLGIIGPSM-ZJUUUORDSA-N	237.064	-0.828	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)o2)C1	2247848952	SOFBTCHFBFIYRI-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2247849382	ZGDXCNBJLZBVBU-IUCAKERBSA-N	234.064	-0.777	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@H]1F	2247854657	GRVZMRCIDVVCOR-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
Cc1nnccc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247854975	LLJMJJIFZNTVJQ-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891915	QJQUAUHNOFBPJR-SEZDTBSWSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894541	HXSYSEFCIBDVDE-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
CN1CC[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247896492	HPYMXNAZLWPMTP-AEJSXWLSSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247897030	NFRJFOBNNXPYDN-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C1N(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1(F)F	2247903138	IQDSHUATWLAURQ-OLQVQODUSA-N	247.006	-0.366	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247909316	IAKWYRDOHNRRSC-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
CC(C)[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2248587437	PJKAEUXCYLGMGD-XLPZGREQSA-N	243.068	-0.583	50	10	BBGE	
C[C@]1(CC(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248588141	ZFQNYWYTXLMFST-MATHAZKKSA-N	241.052	-0.685	50	10	BBGE	
CCCCN(CC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248593278	LKWULKQWUJXLAD-HTQZYQBOSA-N	243.068	-0.437	50	10	BBGE	
O=C(C[C@H]1C[C@H]1C1CC1)NCCC#CB(O)O	2250002449	LJPILHHOUVWJJH-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]2C2CC2)n1	2254573697	KCXVJNXNRARKCN-SNVBAGLBSA-N	248.091	-0.241	50	10	BBGE	
O=C(NCc1ccoc1)c1ccncc1B(O)O	2255445832	YNWZZYBUSKVOBW-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255463248	GSDHCGJNWKZKOO-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1CCC=C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255472926	IKFNQXPMNYRKJI-WPRPVWTQSA-N	248.091	-0.221	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(OC)c(B(O)O)c1	2255499489	AZZOOGFXVSIUPJ-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1C	2255512929	IFWJEUJPHYJFMV-VIFPVBQESA-N	245.087	-0.231	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@@H](C)[C@@H]2C)c1B(O)O	2255573442	MTHNAERQNTYRJC-BDAKNGLRSA-N	248.091	-0.450	50	10	BBGE	
COc1cccc(CCNC(=O)C#CB(O)O)c1	2255674124	WJDGOESEIPDAKN-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
C=C[C@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2255736047	GAFZRLWFXWZSCH-NSHDSACASA-N	246.075	-0.544	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2256726806	NGNVCXOQEYNHRI-ZETCQYMHSA-N	247.063	-0.937	50	10	BBGE	
Cc1ccc(CN(C)CC2COC2)cc1B(O)O	2257564979	OFJLBOXPMQUWTA-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369525	XPHMCBUHOVWTGA-JLIMGVALSA-N	241.096	-0.410	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)[C@H]1C[C@H]1B(O)O	2298377603	XOBNQWXVVZDGEY-GDTLOHQUSA-N	233.076	-0.524	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299282867	ISYUDZKORIIVDV-WCTZXXKLSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	2302059437	KGFCAPLZXNHOHR-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2[C@@H]3CCO[C@@H]32)C1	2303105962	RLFPVBACAGDIMA-FTYOSLGDSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2312856481	TZIIASWNQGTDOE-ZQARSLAVSA-N	249.079	-0.314	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CC[C@H]1N	2317165115	HRAUFBCAUBNNAF-LDYMZIIASA-N	246.075	-0.646	50	10	BBGE	
C#CCN(CC=C)c1ccc(C=O)c(B(O)O)c1	2317310488	BBPVRXZGNYSSMQ-UHFFFAOYSA-N	243.071	-0.196	50	10	BBGE	
CC(C)c1ncccc1CNC(=O)C#CB(O)O	2319554948	VYSLMYALQBTQHP-UHFFFAOYSA-N	246.075	-0.163	50	10	BBGE	
O=S(=O)(CCCCl)NCc1ncn[nH]1	37920191	HSSIGHJPEZYXFP-UHFFFAOYSA-N	238.700	-0.147	50	10	BBGE	
NNC(=O)C(=O)NCCc1cc(F)cc(F)c1	60719577	AOQASNFYJJBVIA-UHFFFAOYSA-N	243.213	-0.387	50	10	BBGE	
O=C=N[C@@H]1COCCN1S(=O)(=O)CC1CC1	83877905	CIMOWKKJKKHMDM-VIFPVBQESA-N	246.288	-0.280	50	10	BBGE	
NCCCSCc1cc(C(=O)NN)no1	85314611	IDZPMDIGYGGXOW-UHFFFAOYSA-N	230.293	-0.140	50	10	BBGE	
C[C@@H](CO)N(C)[C@@H](C)CCC(=O)NN	125436811	UPBOMLVJRRVXLV-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@H](C)Cl	130220646	VRZJGBFBXVWNBR-YUMQZZPRSA-N	248.710	-0.023	50	10	BBGE	
NC[C@H]1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1	200599843	NNSZEIYJQFZSNN-NRPADANISA-N	244.100	-0.994	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H](C)N)B(O)O	213697855	MQFXWSJWILEPHS-RQJHMYQMSA-N	202.063	-0.979	50	10	BBGE	
NNC(=O)C[C@H]1NC(=O)c2ccccc21	238659524	BQLYOVNSDBXVTA-MRVPVSSYSA-N	205.217	-0.149	50	10	BBGE	
CC(C)N(CCOCCO)[C@H](C)C(=O)NN	304301290	ISIKNAIWQCTCEB-SECBINFHSA-N	233.312	-0.916	50	10	BBGE	
O=C(CCl)N1CCC[C@](O)(CO)C1	306379387	URSWCIDGXYODTA-MRVPVSSYSA-N	207.657	-0.429	50	10	BBGE	
C[C@@H](Br)C(=O)N(C)c1nnnn1C	306752907	LYGQHDQEWUADLN-SCSAIBSYSA-N	248.084	-0.044	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@H]1COC[C@@H]1Cl	307041955	LJFMXDALMLEFHF-WDSKDSINSA-N	241.696	-0.847	50	10	BBGE	
C=C(CCl)CN1CCNS1(=O)=O	307315154	MADJZEKXWOBOHF-UHFFFAOYSA-N	210.686	-0.069	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)NNC(N)=S	307661300	GIOSWGNOXHTOBQ-RFZPGFLSSA-N	202.283	-0.168	50	10	BBGE	
Cc1cnn(-c2ccc(B(O)O)c(F)c2)c1	309503987	JKFIVABFXXAYMN-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
CCN1CCCN(CC(=O)NN)[C@@H](C)C1	320662824	IGOPWSPGTALVGR-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COCCS(=O)(=O)N[C@H]1COC[C@@H]1Cl	323486957	BAZCCBKRYJAMAD-BQBZGAKWSA-N	243.712	-0.442	50	10	BBGE	
CC(=O)NNC(=O)CNC1(C(C)C)CC1	378848135	BMDOGYCOWMYNMD-UHFFFAOYSA-N	213.281	-0.068	50	10	BBGE	
O=C(NN[C@@H]1CCSC1)[C@@H]1COCCN1	381799490	CUARXJVFOXRZQO-SFYZADRCSA-N	231.321	-0.899	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]2CO3)o1	387722248	MCMLPLZDAYRMJP-IONNQARKSA-N	237.259	-0.144	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388082735	BQWMGDOORQTOON-IUCAKERBSA-N	229.324	-0.296	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](O)[C@@H]1C	395106217	PWHGENLHFZGVNM-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
Nc1c(B(O)O)sc2c(C=O)cccc12	396245650	BXWDNPYUSGVKPY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1c(O)cc(B(O)O)c2ccsc12	396350911	WRGVQIKCJMGCMA-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCOCC(=O)Nc1ccc(C)cc1B(O)O	404942452	LWGAOOHMUMRFRL-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
COc1ccccc1Cn1cc(B(O)O)cn1	689665513	KQEMLBIMRKEWFX-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H](Cl)C2CC2)n1	697203273	DCJVTCOMGYGONN-LURJTMIESA-N	229.671	-0.043	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C(=O)CCl	698216994	VOUSBMNXZSDIHL-POYBYMJQSA-N	207.657	-0.431	50	10	BBGE	
CN1C[C@H]2CN(C(=O)NC(=O)CCl)C[C@H]2C1	705657908	HRHXPLLJRXBXID-OCAPTIKFSA-N	245.710	-0.045	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)N(C)C	712346921	JDHKEPDLFGOIHU-UHFFFAOYSA-N	238.052	-0.532	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1C[C@H]1C(=O)O	715346710	YHWQAINOQGJERM-PHDIDXHHSA-N	201.226	-0.517	50	10	BBGE	
COCCC(C)=NNC(=O)[C@H]1COCCO1	814861418	TXKSZUWRPILXHS-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
CN(NC(=O)CCc1nn[nH]n1)c1ccccn1	869410344	DWGAMMXQMVHGRA-UHFFFAOYSA-N	247.262	-0.305	50	10	BBGE	
O=C1CCN2NC[C@@H](Br)[C@H]2N1	953101897	PABADPNXPSHXHT-XINAWCOVSA-N	220.070	-0.584	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@]2(F)CCOC2)n1C	1329160529	FWMBRUJUOAAKOW-SECBINFHSA-N	243.242	-0.305	50	10	BBGE	
O=C(NNc1ccnc(F)c1)C1(O)COC1	1447574195	FLOJNYDLBVRJAC-UHFFFAOYSA-N	227.195	-0.575	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)Nn2ccnn2)cn1	1449978426	NGSLWFXQAIPVOA-WTKPLQERSA-N	243.230	-0.311	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)c2cnc[nH]2)nn1	1558952479	YKSRAMVFXBMVKD-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccncn1	1635934571	ZHNKQXRPYQWBLJ-IYSWYEEDSA-N	237.219	-0.583	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Br)c1nn[nH]n1	1877390121	XBWRWSIWBUEDCE-IUYQGCFVSA-N	246.068	-0.287	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)N(C)C	1880673651	GNIGXQSWBJZLLM-LURJTMIESA-N	210.686	-0.377	50	10	BBGE	
N[C@@H]1CCO[C@H]1C(=O)NC1CC(Cl)C1	1884411394	BTRVAGQGNIKNAQ-DWYQZRHDSA-N	218.684	-0.011	50	10	BBGE	
CC[C@](C)(CN(C)CC(=O)NN)OC	1886728321	NOCPMPPMHJUKJB-SECBINFHSA-N	203.286	-0.277	50	10	BBGE	
CCN(CC(N)=O)C(=O)C=CC(=O)Cl	1893409741	ADEJSGDEHUHZRV-UHFFFAOYSA-N	218.640	-0.358	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)N1CC[C@@H](O)C1	1894569910	ACGUWHRLMYRGSO-RNFRBKRXSA-N	242.728	-0.485	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC=CCS1(=O)=O	1894738456	NMJUWKQBCWEPQF-MRVPVSSYSA-N	247.320	-0.653	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1[C@@H](C)CC(=O)NN	1900188572	BMKWWBVITUAPKB-ATZCPNFKSA-N	229.324	-0.010	50	10	BBGE	
Cn1cc(CN2CC[C@@](C)(B(O)O)C2)nn1	1902540591	HIDMTNRLADGREB-SECBINFHSA-N	224.073	-0.746	50	10	BBGE	
CC[C@@](C)(CN1CC(COC)C1)C(=O)NN	1902712113	BEDCUPLRIPTVGF-NSHDSACASA-N	229.324	-0.029	50	10	BBGE	
N=C(C[C@H](O)CNC[C@@H]1C[C@H]1Cl)NO	1903813244	CAKRTKNIAVHFNT-LYFYHCNISA-N	221.688	-0.090	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]3C[C@@H]32)n1	1907079509	HSIXSPBSPQZJEZ-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2C[C@H]2F)cc1B(O)O	1907455439	IWKMBCGLDOCZJL-PSASIEDQSA-N	237.039	-0.029	50	10	BBGE	
CS(C)(=O)=NCc1ccc(B(O)O)cc1F	1913505469	RJSYYKOHWOUDRP-UHFFFAOYSA-N	245.084	-0.267	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)C1(C)C	1914329634	BDUZISOJFHLZHB-LURJTMIESA-N	215.253	-0.998	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1C(C)C	1927993058	WGAPUIVHWKQQSD-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@H]1[C@H](O)CO	1928572890	BXGRCHKWZJSEMF-BIIVOSGPSA-N	237.683	-0.806	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccco1	1936525379	DLHOOGCYVMBTAI-UHFFFAOYSA-N	227.264	-0.282	50	10	BBGE	
Cc1cc(C)n(CC(F)(F)C(=O)NN)c(=O)n1	1940897062	ZSUOJJWFDPOEOM-UHFFFAOYSA-N	246.217	-0.515	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@@H](O2)C1=O	1941091038	UHURDFCRYCRDCH-FNCVBFRFSA-N	239.275	-0.998	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1945566488	YLXXNXPSSFGVHC-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](N3CCC3)C2)CC1	1945883967	JCEZKUWSXYSAFY-JTQLQIEISA-N	238.335	-0.464	50	10	BBGE	
CC[C@]1(C)CN([C@H](COC)C(=O)NN)CCO1	1947269416	YYBAQFMCSYLQCV-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CCN(C)c1cc(C=CB(O)O)ncn1	1958059888	YFAYIZSLEBHQOI-UHFFFAOYSA-N	207.042	-0.042	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@@H]1CCSC1	1961718668	RPPQMWGHQAJTQK-ZCFIWIBFSA-N	244.150	-0.235	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H]2C[C@H]2CCl)n1	1962190685	KINRTCFURQFQJZ-NTSWFWBYSA-N	229.671	-0.185	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]1CN(C)C	1976931821	JXKTYVNIKYCZEN-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2ncc(B(O)O)s2)[C@H]1C	1977200817	APUIMVOMVJHXST-WHFBIAKZSA-N	240.093	-0.337	50	10	BBGE	
CO[C@H](C)COc1nccc(C)c1B(O)O	1986052010	NRLPVEXYZXSMPM-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2CF)c1B(O)O	1986085447	WKAUVRMALHKCQU-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
O=C1C[C@@H](N=c2[nH]nc(CCCl)o2)CCN1	1987024473	GLNYJXZPXXBXIS-LURJTMIESA-N	244.682	-0.037	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCOC[C@@H]1F)C(=O)NN	1987226245	WSKMTXYXKFKJAP-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)C12CC2)C(=O)NN	1988761817	PSAGDGHKRCXRON-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12CCOC[C@H]1C2	1990376911	CTEHSIDDXZAWGJ-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1NC(=O)/C=C/C(=O)Cl	1991704777	WSGXSPUZPQXNQC-YJBAQZIASA-N	246.650	-0.933	50	10	BBGE	
O=C(CC(F)F)NCc1ccc(B(O)O)s1	1992782712	OOLBYFIBIXRMQA-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
C#CCC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1996941314	RLIFMWBDNMYFQT-SNVBAGLBSA-N	235.287	-0.396	50	10	BBGE	
CN(CC(=O)NN)Cc1nc(C(C)(C)C)no1	1997740412	MQHPKGRDRFGRPG-UHFFFAOYSA-N	241.295	-0.211	50	10	BBGE	
C[C@@H]1CC[C@H]([C@H](NC(=O)NN(C)C)C(=O)O)O1	2004879727	CLTMNVVOBCYWGQ-PRJMDXOYSA-N	245.279	-0.217	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C[C@@H]1C	2004912323	RHEJAAMLPYNXNC-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1cnc(N(CC2CC2)C2CC2)nc1	2004912447	SZZAVJVLHSAPDU-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1COC[C@H]1C	2004933564	JHQBBXNJJMFBLP-PSASIEDQSA-N	237.064	-0.516	50	10	BBGE	
Cc1nc(N(C)CC(C)(C)C)ncc1B(O)O	2004974973	RZGCLUDUHJHVPE-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@@H]1CCOC1	2005016092	KPJSLWSSRRCQLM-SNVBAGLBSA-N	236.080	-0.705	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC12CC(CO1)C2	2017761048	SPHSLSIGISFEKH-WDHPUFTPSA-N	239.319	-0.277	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	2018855481	GTMAIPCZQOKGPC-SCVCMEIPSA-N	239.319	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)N(C)[C@@H](C)C1	2019213977	XWCVMCKTTPARAZ-IUCAKERBSA-N	242.323	-0.822	50	10	BBGE	
C[C@H]1O[C@@]2(C(=O)NCC=CB(O)O)CC[C@H]1C2	2021896491	NWDKTNBNDNCILI-YWVKMMECSA-N	239.080	-0.372	50	10	BBGE	
OB(O)c1ccc(COCCC2COC2)cc1	2022706712	JQQIUDAIANFMNT-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3CC[C@@H]3C2)n1	2050241516	IXIFNNBCJBFVOA-RKDXNWHRSA-N	249.318	-0.135	50	10	BBGE	
C[C@@]12CCCC[C@H]1CN2c1ncncc1B(O)O	2052473527	WJECOKPMYJWLKR-JOYOIKCWSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@]2(C)C[C@H]2C)n1	2052620688	WWYVTOAYAPZRJB-PRHODGIISA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)ncc1B(O)O	2053734332	FBLDPMDOUNTRDC-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccccc1B(O)O	2079008982	CWSNCZZISLYAGS-SNVBAGLBSA-N	245.087	-0.244	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CC[C@H]1C(=O)NN	2209907707	YMULLYAWNOQECE-RNFRBKRXSA-N	219.310	-0.270	50	10	BBGE	
C[C@@H]1CC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2212613322	UKZXRBSSBNBBFT-SFYZADRCSA-N	221.069	-0.964	50	10	BBGE	
C=C1COC[C@H]1Nc1ncccc1B(O)O	2212614204	BIXWCOSCAFCEPM-SECBINFHSA-N	220.037	-0.872	50	10	BBGE	
CN1CCCN(C[C@H]2CC[C@H]2C(=O)NN)C1=O	2215773948	VCQAVSGVERBJFZ-RKDXNWHRSA-N	240.307	-0.240	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCCC[C@@H]1CO	2215775376	GOFIXKCMCSRZQJ-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)[C@@H]1CC1(F)F	2217173729	TYWCTDQXSPVLSX-VDTYLAMSSA-N	243.022	-0.388	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCOCC1	2217175746	MYSSFHWEFCCYPP-SECBINFHSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCOC[C@H]2F)c1	2217176667	ZCYGXPCJSVBEMW-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2cc(B(O)O)ccn2)[C@@H]1C	2217176707	ZNYCCMPCAZHCEG-WEDXCCLWSA-N	236.080	-0.403	50	10	BBGE	
CC[C@H](CO)CNc1cc(B(O)O)c(C)cn1	2217179357	JSVRLCAFBLCRBE-VIFPVBQESA-N	238.096	-0.500	50	10	BBGE	
C[C@H]1CNC[C@H](Oc2ccc(B(O)O)cn2)C1	2217183706	KMDNWWZUMOAQDU-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](CO)CNc1nccc(B(O)O)c1F	2217185591	ZHTOXSSGEGNSFX-ZETCQYMHSA-N	242.059	-0.669	50	10	BBGE	
CCNCC(C)(C)Oc1ccc(B(O)O)cn1	2217194947	YZYYZBFXUYQYRL-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
C[C@H](CCN=c1cc(B(O)O)cc[nH]1)C(F)F	2217198860	HIWLEQMRCYRWHA-SSDOTTSWSA-N	244.050	-0.114	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)Nc1cccc(B(O)O)c1	2220587973	JNEYJRFFGVQBGL-GHMZBOCLSA-N	249.075	-0.270	50	10	BBGE	
C#CC[C@@](C)(CN)COc1ncccc1B(O)O	2223621751	XEAOOQZOLOQBSZ-LBPRGKRZSA-N	248.091	-0.872	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN(C)[C@@H]2C)cc1B(O)O	2223651548	COBWCSOBLCGHPD-MWLCHTKSSA-N	249.123	-0.426	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2ncccc2B(O)O)CCN1	2223670824	DBNCIWFMRURJGZ-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
CC1(C)C[C@H](CNc2cc(B(O)O)ccn2)CN1	2223677504	OTOWNZVQYRUIMG-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)NNCCO	2241614175	FLSQSATYJJFTFZ-APPZFPTMSA-N	202.254	-0.728	50	10	BBGE	
NCCOCC(=O)N[C@H]1C[C@H](Cl)C1	2241652953	AQHLFTOFJPUUFB-LJGSYFOKSA-N	206.673	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@@]1(C)CNCC1(F)F	2242463714	UUJDIWQBOODKIV-SSDOTTSWSA-N	207.224	-0.176	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243356542	JDPRFTLMBVROAW-ZETCQYMHSA-N	222.053	-0.611	50	10	BBGE	
C#CCN(C(=O)C1(B(O)O)CC1)C1CSC1	2243363928	OLPPABVQAVYVQH-UHFFFAOYSA-N	239.105	-0.429	50	10	BBGE	
N[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2243366162	YDXKSOZDLARJOU-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
CNC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243391066	FUDRASGSXRFHLR-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
CN[C@H](C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392936	YFKYAZFKLGYNAS-IWSPIJDZSA-N	228.101	-0.646	50	10	BBGE	
CO[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2243409480	ISTOHLBNXBSETF-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
CS[C@H](C)CNC(=O)c1coc(B(O)O)c1	2243410150	WARRFQIBXHCEQY-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
CN(C[C@H]1CCOC1)C(=O)C1(B(O)O)CC1	2243410494	CFKXMHYJJHHXBN-MRVPVSSYSA-N	227.069	-0.512	50	10	BBGE	
NC1CC(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243415831	CMYLZLMGTRDLAL-VGKQMMLZSA-N	226.085	-0.907	50	10	BBGE	
C#CCNC(=O)Nc1ccccc1B(O)O	2243454809	UOXPEOOEPMOYNR-UHFFFAOYSA-N	218.021	-0.879	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2243758408	FHUIBJNXNQGCDS-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
Cn1ncnc1CN1CCC(B(O)O)CC1	2244177630	OJKDPMOILDQQJW-UHFFFAOYSA-N	224.073	-0.746	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC2(CN(C)C(=O)CO2)C1	2245330073	IPWBHCKMLFZQMM-ZETCQYMHSA-N	246.694	-0.317	50	10	BBGE	
CO[C@@H](C)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912555	CBAOXWOIIHMOGD-LURJTMIESA-N	244.487	-0.717	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1cccc(B(O)O)n1	2246745357	WKFDISQYKXGXEL-SSDOTTSWSA-N	235.052	-0.613	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H](C)C(F)F	2247721437	DDBRVHCIIXQRAL-SCSAIBSYSA-N	247.006	-0.349	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247724582	ZXJJYFGKQCZCPF-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)oc1C	2247739191	YTHHMRXLMQECTG-CBAPKCEASA-N	237.064	-0.204	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]12CCCC[C@@H]1OCC2	2247740186	HEFUTCKZBXYYCX-GXSJLCMTSA-N	237.064	-0.780	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)C#CB(O)O)C1(C)C	2247743354	CHVGZJFHJPFMJM-BDAKNGLRSA-N	239.080	-0.678	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1F	2247752310	MTTINDSEJJTZNP-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
C=CCNC(=O)c1c(F)cc(B(O)O)cc1F	2247752742	VDHHFYBDHCTDGZ-UHFFFAOYSA-N	241.002	-0.440	50	10	BBGE	
CC=CCNC(=O)c1cc(F)ccc1B(O)O	2247758017	KKBHFRGWTMCMRE-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CCNCC1	2247786148	WNMUUSVKSNOISE-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
Cc1cc(O)nc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247806114	LZOIAKCHSUZRDK-WDSKDSINSA-N	237.024	-0.708	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ccc(B(O)O)cn1	2247846784	MDQPYJZRLOKUPO-MRVPVSSYSA-N	236.080	-0.463	50	10	BBGE	
C=CCCCN(C)C(=O)c1ccc(B(O)O)o1	2247848580	NQMIUVQTTCKBAF-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CC(C)(NC(=O)c1occc1B(O)O)C1CC1	2247878327	JDPTUMMYNYUXMP-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@H](CO)C1	2247898001	ZJHLCVLJUKEJEM-AEJSXWLSSA-N	241.096	-0.530	50	10	BBGE	
CN1CC2(CCN2C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247901796	AIDKYQHFFSQPDH-DTORHVGOSA-N	238.096	-0.844	50	10	BBGE	
CO[C@@H]1C=C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247908923	BUXYXSJXWWNDIM-YDYPAMBWSA-N	239.080	-0.301	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2249067752	PEBDJKPFDHFTLO-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
C=C1CC(CNC(=O)c2cocc2B(O)O)C1	2249416759	WTBRKLYXKCFMEF-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cocc2B(O)O)C1(F)F	2249429823	YAIZWYRDEPLNQI-CLZZGJSISA-N	244.990	-0.657	50	10	BBGE	
CC[C@@H](COC)CC(=O)NCCC#CB(O)O	2249998173	FGMJSRIELBYZBX-SNVBAGLBSA-N	241.096	-0.429	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(F)(F)C[C@@H]1CO	2250242486	UCIHYZBMCDOANS-PRJMDXOYSA-N	249.261	-0.686	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC=C[C@H]1C2	2255461216	DQEIRBNUHILGLS-IUCAKERBSA-N	247.059	-0.250	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1ccc(B(O)O)o1	2255462500	WFSDSSAWXCCTNR-HACHORDNSA-N	249.075	-0.122	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)cn1CC	2255498479	RWLRSYQMMWJPJN-SECBINFHSA-N	248.091	-0.671	50	10	BBGE	
CC=C1CCN(C(=O)c2cncc(B(O)O)c2)C1	2255517292	BEARNOIPYHFASP-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1C[C@H]2CCCC[C@H]21	2255551621	ZXVFMYFZGUWREF-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)n[nH]2)C=CCCC1	2255551953	FATKGXVURWPQHY-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccncc1B(O)O	2255731295	CZFPMNSRJBFFTB-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(n2ccnc2)C1	2255778749	VPLCIWAGJVBGOS-DTORHVGOSA-N	249.079	-0.481	50	10	BBGE	
CC1(C)CCN1C(=O)c1cc(B(O)O)ccc1O	2256013214	CZSVSLAQVJKYOZ-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
CC(C)n1ccc(C(=O)NCCC#CB(O)O)n1	2258960780	KSNNBFSXYICZMQ-UHFFFAOYSA-N	249.079	-0.401	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)[C@@H]1CCCC[C@H]1O	2298371113	AEVXTPMCYNKZRR-SGIHWFKDSA-N	241.096	-0.389	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]1B(O)O	2298371184	BYYUEDISVXQRSU-FNBUAPEOSA-N	239.080	-0.779	50	10	BBGE	
CC1(C)C[C@@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377472	SCANVGURSGVZSM-DJLDLDEBSA-N	241.096	-0.531	50	10	BBGE	
CC(=CCN=c1ncc(B(O)O)c[nH]1)C1CC1	2300048962	IFKHNSIVNJRUCX-UHFFFAOYSA-N	233.080	-0.654	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H](F)[C@H](O)C1	2300381432	VGZLPVLODWONCP-QCLAVDOMSA-N	245.298	-0.593	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCO[C@H]2CCOC2)C1	2303161089	LMRXAJDZGPKKLK-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
C=CCC(C)(C)C(=O)N[C@@H](CB(O)O)C(=O)O	2304055881	OAKVTJUJPIKFAT-ZETCQYMHSA-N	243.068	-0.369	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2c1ncccc1B(O)O	2318347037	JRPCHLQJAVPZPL-QXEWZRGKSA-N	248.091	-0.625	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H](O)C1	82470431	XBJOGJRKPWNTGD-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1[C@@H](C)C(=O)NN	82470491	IGFZARUNBVSLSG-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
Cc1cnn(Cc2cc(C(=O)NN)no2)c1	82471448	TYROVDPZGZZPQO-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
NNC(=O)c1ccoc1CSC[C@@H](O)CO	86661872	FOCQZYFBDHVPKF-LURJTMIESA-N	246.288	-0.531	50	10	BBGE	
O=S(=O)(CBr)NCCCO	127374867	VITNBDJTHCXOEO-UHFFFAOYSA-N	232.099	-0.359	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@@H](CCl)[C@H]1O	148567468	FRMQBZPOJJJUAQ-JGWLITMVSA-N	201.049	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CCO)C1	159981349	NFKGSRQRHIUDGA-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCN(CC)C(=O)[C@H](C)NC(=O)NN	162840643	AWWMHFIKCKBQCG-LURJTMIESA-N	202.258	-0.584	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](CO)C1)C(=O)NN	216468204	IRXRLXYWOUWDAP-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
COC(=O)[C@H](C)NS(=O)(=O)CCCl	220251871	CUNAVVQNWRHSLI-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
CC(C)(CO)NS(=O)(=O)CCCl	232298950	BIMIJUUTWYKFOQ-UHFFFAOYSA-N	215.702	-0.085	50	10	BBGE	
O=S(=O)(CCl)NC[C@H](O)C(F)F	236522163	CLAPQYPOSLRWBF-VKHMYHEASA-N	223.628	-0.272	50	10	BBGE	
CC(=O)NNC(=S)NC(=O)C1CC1	306547173	WZMDNEJQEJAONO-UHFFFAOYSA-N	201.251	-0.562	50	10	BBGE	
Nc1c(O)sc2cc(B(O)O)ccc12	307011128	KOQPRRPPEUHJFP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O[C@H](CCl)[C@@H]1OC[C@H](Cl)[C@H](O)O1	307550989	RTIRCQLWLDMWOI-SLPGGIOYSA-N	217.048	-0.115	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](F)C2)cc1	308773154	ZWPBPJKLTPTHGZ-VIFPVBQESA-N	209.029	-0.085	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ccccc1	308891570	XVSOFFYKOPQWJZ-UHFFFAOYSA-N	208.173	-0.217	50	10	BBGE	
CNC(=O)CC1CN(C(=O)CCl)C1	382149048	FKTKTTWOHCXZJQ-UHFFFAOYSA-N	204.657	-0.180	50	10	BBGE	
NC(=O)NN=CCCC=NNC(N)=O	383959200	DQSFAFIWVOBKBF-UHFFFAOYSA-N	200.202	-0.925	50	10	BBGE	
C[C@H](CC(=NNC(N)=O)C(=O)O)C(=O)O	383971867	OMZRHGPFDUNMDV-GSVOUGTGSA-N	217.181	-0.794	50	10	BBGE	
C[C@H]1CC(=O)N(Cc2nc(C(=O)NN)co2)C1	386838840	TXBAKVCMUKPJHJ-LURJTMIESA-N	238.247	-0.354	50	10	BBGE	
COc1ccc(C(F)(F)F)c(B(O)O)n1	396121950	SGNSQVSYFZQPMQ-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
O=C1C[C@H](CNC(=O)NC(=O)CCCl)CN1	398296190	JLBLBDCUCNXYSS-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
COC[C@H](SCCCN(C)C)C(=O)NN	400973820	PLMDOLDLPOMYPY-QMMMGPOBSA-N	235.353	-0.324	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1CCCO1	404953906	UYJXISGWFJHONP-LLVKDONJSA-N	249.075	-0.838	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)CCN(C)CCO	691269380	SVNFNOVSGLRJPF-QMMMGPOBSA-N	222.716	-0.004	50	10	BBGE	
COC[C@@H](CN1CCC(O)(C#N)CC1)OC	694659390	IKJAWWCYVIYDNN-SNVBAGLBSA-N	228.292	-0.002	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCc2ccccc2O1	700277963	KXNMWBBTAKZRGC-VIFPVBQESA-N	249.270	-0.514	50	10	BBGE	
CN(C)CC[C@H]1CCN(CCC(=O)NN)C1	701447682	QQXPNMMLUCFHKB-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
COC1(CC(=O)NCB(O)O)CCC1	702031053	UBEXLYWAUZVKKA-UHFFFAOYSA-N	201.031	-0.926	50	10	BBGE	
Cc1cnccc1Cn1cc(B(O)O)cn1	705336207	NDRIDANKWCHYEN-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
CN(CCNCCCl)S(C)(=O)=O	706238532	VLWWCXROMXMXMF-UHFFFAOYSA-N	214.718	-0.294	50	10	BBGE	
C[C@@H]1CCN1CCOc1ccc(B(O)O)cc1	706817264	RNGBMMADMORWDU-SNVBAGLBSA-N	235.092	-0.161	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1O	708050556	JBRLDQGFFYENAV-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
CN(C(=O)c1cn(C)nn1)[C@H]1COC[C@@H]1Cl	709090640	WCAHAMRTGODDPD-XPUUQOCRSA-N	244.682	-0.107	50	10	BBGE	
O=C(NCCO)C1CCN(C(=O)CCl)CC1	711864380	QXRRBKQJDMKWBG-UHFFFAOYSA-N	248.710	-0.428	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ncccn1	718910910	SIZPXADBTWHNTM-ZETCQYMHSA-N	209.253	-0.713	50	10	BBGE	
CC(C)(O)[C@H]1CCCN(CC(=O)NN)C1	719666192	HRAROZDBFKDXEX-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](C(C)(C)O)C1	721778515	RBERWFGVTJLMGI-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CN(C)C(=O)NNC(=S)NC[C@@H]1CCCO1	745736175	WHZDQYRAVFDRNO-ZETCQYMHSA-N	246.336	-0.184	50	10	BBGE	
CN(C)C(=O)C1(C(=O)NNc2cnccn2)CC1	806862127	ZPEGFARQQKYKIT-UHFFFAOYSA-N	249.274	-0.212	50	10	BBGE	
O=C(NNC(=O)c1ncccc1O)c1ncon1	1179589438	ZVSXPKCRUWEZKN-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCOCCCO	1258097632	GXXRFZJLAMYYQN-KTKRTIGZSA-N	242.275	-0.054	50	10	BBGE	
O=S(=O)(CCCCl)N1CC(F)(CO)C1	1260051617	QULNTNNENHSDEB-UHFFFAOYSA-N	245.703	-0.039	50	10	BBGE	
COCCN(C)NC(=O)C[C@H]1CCNC1=O	1332557946	IVXQCAUXVQYAKJ-MRVPVSSYSA-N	229.280	-0.878	50	10	BBGE	
O=C(Cn1ncnn1)NNC(=O)c1ccccc1	1353058155	UXLWGMOMMIRASR-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
Cn1ncc(C(=O)NNc2ccncn2)c1N	1468216666	KGGZHYARBQSXSI-UHFFFAOYSA-N	233.235	-0.451	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1ccncc1	1540409934	XSKSDTLLFUBNHT-GKQMSVHHSA-N	235.243	-0.220	50	10	BBGE	
CCn1cc(C(=O)NN=c2cc[nH]cc2)nn1	1567459035	STPONCWFXHJSSA-UHFFFAOYSA-N	232.247	-0.128	50	10	BBGE	
NS(=O)(=O)NC[C@H]1C[C@H](Br)C1	1880435090	YQXDQFKPLCEDAW-URHBZAFASA-N	243.126	-0.047	50	10	BBGE	
CCN(CCF)c1nc(B(O)O)cs1	1886423811	SWKNQRYGDYYHGP-UHFFFAOYSA-N	218.062	-0.381	50	10	BBGE	
CO[C@H](C)COC[C@@H]1CC[C@H](C(=O)NN)O1	1896176280	QOSCUXYTLULAMK-HRDYMLBCSA-N	232.280	-0.425	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cncc(B(O)O)c1	1896324980	IANSAXZLXKMQQN-OIBJUYFYSA-N	223.037	-0.825	50	10	BBGE	
CC[C@@H]1CC[C@H](Cn2ccc(B(O)O)n2)O1	1897736083	AWHOQSZFHPBLHZ-RKDXNWHRSA-N	224.069	-0.480	50	10	BBGE	
COC[C@@H](OC[C@H]1C[C@@H]1C)C(=O)NN	1898714131	WXMWRHJDULTNKQ-XLPZGREQSA-N	202.254	-0.336	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2C)oc1B(O)O	1899935917	FFMMDVZOSNBGJO-ZETCQYMHSA-N	223.037	-0.498	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1F	1900251044	BXLYDTHFELEYDM-BQBZGAKWSA-N	231.032	-0.811	50	10	BBGE	
CN(C)[C@H]1C[C@H]2C[C@H]1CN2CCC(=O)NN	1901997135	HMCUKVAPTOLPRS-AEJSXWLSSA-N	226.324	-0.609	50	10	BBGE	
CS(=O)(=O)CCCCN1CC[C@@H](B(O)O)C1	1902529406	YGBVZOHBSMYNSN-SECBINFHSA-N	249.141	-0.640	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@@H]21	1907866421	KOEWRMTVMQRYDX-MKHNBGRSSA-N	241.335	-0.154	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@@H]1CF	1909489027	MZJLWBMBGKVCJY-HTRCEHHLSA-N	238.027	-0.695	50	10	BBGE	
CC(C)[S@](C)(=O)=NC(=O)C(=O)NN	1913904412	VITLILPMLYBEIS-ZDUSSCGKSA-N	207.255	-0.991	50	10	BBGE	
CN(CCCC(=O)NN)CCOC1CC1	1914551543	LZXKEIMFFFAPAX-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CN(Cc1cnnn1C)S(=O)(=O)CCl	1934947599	ACUWHJDSDIIVOL-UHFFFAOYSA-N	238.700	-0.227	50	10	BBGE	
C[C@H](CN1C[C@H](CO)C[C@H]1C)C(=O)NN	1934980692	JRTOLVADXZIKDQ-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936089081	TVCJWROIOIHAPG-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
COC[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090412	IVCGCSGHNUHJIC-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1	1937202851	JUPIGDBBISLXGU-CVPUBMOQSA-N	244.722	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(CCCO2)C1	1941394545	RKIARYNAOGJCFR-CKYFFXLPSA-N	239.319	-0.133	50	10	BBGE	
CO[C@@H]1CCCN(CCOCC(=O)NN)CC1	1941771925	BGQOSTNHCHWYIN-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)[C@@H]1O	1945912933	PNZSXLOWKMHBJL-MYJAWHEDSA-N	241.335	-0.295	50	10	BBGE	
Cc1ccc(CN2CC[C@H](B(O)O)C2)nn1	1951319952	ATPRXQTUUSWDKF-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCB(O)O)CCS1	1955420636	KUWUMVCPOLJWDY-NKWVEPMBSA-N	217.099	-0.354	50	10	BBGE	
O=S(=O)(CCl)NCC[C@H]1COC[C@H]1O	1956481392	HRONGAYSDXKZPN-NKWVEPMBSA-N	243.712	-0.501	50	10	BBGE	
CC[C@H](O[C@@H]1CO[C@@H](C)C1)C(=O)NN	1956931212	BQVAPFGYGDJDMB-FXQIFTODSA-N	202.254	-0.051	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1NC(=O)CCCl	1957175017	JACZJUWCCFTYAX-FSPLSTOPSA-N	220.656	-0.626	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)[C@H](C)CCl	1958192256	YTCHDEYLFMZIHW-VXNVDRBHSA-N	239.699	-0.653	50	10	BBGE	
CC[C@H](C(=O)NN)N(OC)[C@H]1CCOC1	1960127975	ZZBXIHSUWWFONX-JGVFFNPUSA-N	217.269	-0.593	50	10	BBGE	
OB(O)c1ccccc1OCC1COC1	1961319715	KCNKQERTDSLOSW-UHFFFAOYSA-N	208.022	-0.608	50	10	BBGE	
CCCOc1nc(C)nc(C)c1B(O)O	1961694288	MFKJXORWTIGCKK-UHFFFAOYSA-N	210.042	-0.438	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H]1C[C@H]1CCl	1962199722	KYGBGULXLUMWTL-NKWVEPMBSA-N	229.671	-0.336	50	10	BBGE	
O=C([C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)N1CC(Cl)C1	1962303989	GGIUUXIZOCZASW-JIGDXULJSA-N	249.719	-0.273	50	10	BBGE	
CN(CCOCC(=O)NN)CC1[C@@H]2CC[C@@H]12	1976587289	YFAJQZCLZXAKQH-RKDXNWHRSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](CN(C)Cc1cn(C)cn1)C(=O)NN	1976739735	POFAVSYCZXXBJP-QMMMGPOBSA-N	225.296	-0.522	50	10	BBGE	
O=C1CN([C@@H]2COCCC2(F)F)CC(=O)O1	1979498239	URDRHJCPGHNCSO-ZCFIWIBFSA-N	235.186	-0.204	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC([C@H](F)CO)C1	1979547841	KIMNWUWLOFFHOG-LKEWCRSYSA-N	233.287	-0.737	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(C[C@@H](C)C(=O)NN)C1	1979551688	RHSJKULRHIXDAJ-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)c1ncc[nH]c1=O	1979658456	SDMFAWOLVVAUMZ-WDSKDSINSA-N	243.650	-0.494	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CC(F)F)n1	1981469643	WGMCCHRLBVNMKG-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=CC[C@@H]1CO	1983178951	GWOMVFIVEOEALS-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CC(F)(F)C[C@H]2C1	1985932847	QYZCXPMDCSTYQC-OLQVQODUSA-N	233.218	-0.520	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCC(F)(F)C1	1986787053	MESPRPIIHSVBAN-ZCFIWIBFSA-N	235.234	-0.082	50	10	BBGE	
CN(CCCn1cc(B(O)O)cn1)C1CC1	1990145762	YSWJERFQYGBUDZ-UHFFFAOYSA-N	223.085	-0.953	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H](C)COC	1990775427	VQVORVKFHSUEIU-MRVPVSSYSA-N	231.296	-0.490	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnco1	1991326033	CDKGMTFPGPXITD-ZETCQYMHSA-N	222.009	-0.495	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@@H]1C[C@H]1Cl	1991440049	WXLZRYJPMPCSSK-AEJSXWLSSA-N	245.754	-0.024	50	10	BBGE	
C[C@H](N)CSCC12CC(C(=O)NN)(CO1)C2	1993890080	WTCGHGXGKCNPQF-WFRXLMHJSA-N	245.348	-0.394	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H]2COC[C@H](C2)C1	1995151760	FTRFLSAVAQGJSO-RNLVFQAGSA-N	227.264	-0.251	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cn(C)cn1	1997726375	JTJOZHNBPZMPBQ-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
CO[C@]1(CN2CC(=O)OC(=O)C2)CCCOC1	2001498926	OKNNTYDBEJILOF-NSHDSACASA-N	243.259	-0.433	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1coc(C)n1	2003810187	DKJFOZBDUWMGLT-SECBINFHSA-N	242.279	-0.580	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2OCC[C@@H]2C1=O	2004648727	DDUJKKHSKRBFFG-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCC[C@@H]21	2004917073	UHVKFQXXTHGUSO-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
CC[C@H]1CCN(CC(=O)NNC(C)=O)CCO1	2019219740	PWRLPCGLONFIML-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
O=C(NCC#CB(O)O)C1(F)CC2(CCC2)C1	2021115979	RZXVSFWRXOGAAU-UHFFFAOYSA-N	239.055	-0.210	50	10	BBGE	
NNC(=O)c1cc(CN2CCOCCO2)on1	2021411720	CJPNWIFDLMOBEQ-UHFFFAOYSA-N	242.235	-0.958	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]1CF	2022196561	OFRHHBGCBNEREO-SNVBAGLBSA-N	237.039	-0.450	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@]12C[C@](C(=O)NN)(CO1)C2	2023839273	NDNROHOVKOMRQZ-AVPPRXQKSA-N	239.275	-0.854	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CC[C@@H]2CNC3)CC1	2033993382	WZLAPOBNVQGUPG-ZWNOBZJWSA-N	249.314	-0.137	50	10	BBGE	
CCOC(=O)C=C(N)NNC(=O)c1ccco1	2040739581	YJPPGGNTWZVCPN-UHFFFAOYSA-N	239.231	-0.123	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)C[C@@H](C)C2)c1B(O)O	2052554629	XGZCLVLAYGGPBN-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@]23CCOC3)n1	2052555612	HDDUVIVBMPGWQN-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
N#Cc1ccc(Cl)c([N+](=O)[O-])c1B(O)O	2060110681	XIHNVVVGWWKQDY-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
COc1cc(C=O)c(B(O)O)cc1C#N	2060189212	BDCURERTLTZHNZ-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
COc1cc([N+](=O)[O-])c(OC)cc1B(O)O	2060325013	UMTBYGCONFGSMB-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
COc1cc(C)c([N+](=O)[O-])c(B(O)O)c1	2060380416	FOMRFLXYKCUTJG-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
NNC(=O)NCCS(=O)(=O)C(F)(F)F	2209407638	XZQWANFVMSCEPI-UHFFFAOYSA-N	235.187	-0.906	50	10	BBGE	
CC(C)(CN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2210699834	OJAQASPUDNNGNM-JGVFFNPUSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(CCCO)C1	2212384617	VWFBUSXBEJFQBW-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CN(CC(F)(F)F)c1cc(B(O)O)ccn1	2212610809	PKFNVVCYGUIXSQ-UHFFFAOYSA-N	233.986	-0.240	50	10	BBGE	
CCCCCCn1cc(B(O)O)cnc1=O	2212717798	XYIINWCAPHWMGI-UHFFFAOYSA-N	224.069	-0.497	50	10	BBGE	
C[C@H](CN1C(=O)OC(C)(C)C1=O)C(=O)NN	2212756041	YTUZSJOOWSLHAU-RXMQYKEDSA-N	229.236	-0.630	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1cccc(B(O)O)c1	2214605461	LOAGKLIBXXPRDA-CABZTGNLSA-N	235.092	-0.679	50	10	BBGE	
CON(C)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215770720	DCODYMFPWCPJRB-SCZZXKLOSA-N	242.323	-0.820	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@H]1CC[C@H]1C(=O)NN	2215776773	OVMGQTYBGLVWMF-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(F)CCOC1	2216337539	HQZLPECTDFDIHR-PSASIEDQSA-N	249.286	-0.948	50	10	BBGE	
CN1CC2(CCN2C[C@@H]2CC[C@@H]2C(=O)NN)C1	2216595412	PQUXLSJPIOWVCD-UWVGGRQHSA-N	238.335	-0.608	50	10	BBGE	
Cc1ncc(Nc2cc(B(O)O)ccn2)cn1	2217174047	VZGXKMLKVLEYFH-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
CO[C@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217176023	QLDFAJHEVYBZED-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCC[C@@H](O)C2)nc1	2217176850	BDVGRCVXQKVTRI-VHSXEESVSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H](O)CC2)c1	2217181857	WDFJRFPFBTXBEL-MGCOHNPYSA-N	236.080	-0.523	50	10	BBGE	
CCC[C@@H](N)CNc1cc(B(O)O)c(C)cn1	2217185091	TZUYLMSLCOZVBA-SECBINFHSA-N	237.112	-0.391	50	10	BBGE	
CC1(O)CCN(c2ccc(B(O)O)cn2)CC1	2217194717	BXEYPGCBXQUTSM-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CC(C)N(C[C@@H](C)O)c1ccc(B(O)O)cn1	2217202960	NTELQLOCLVVXAD-SECBINFHSA-N	238.096	-0.643	50	10	BBGE	
CO[C@@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217205356	XSTABIAIACHFAC-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
CC(C)N1CCN(c2cc(B(O)O)ccn2)CC1	2221350367	HWGZZBZKCHPSTO-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(N(C)Cc2ccno2)cc1B(O)O	2223641231	RNEMMBMMCMEKPN-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1cnc(N2C[C@@H](N)CC2(C)C)cc1B(O)O	2223652051	GAQDZMPIVBMNMI-VIFPVBQESA-N	249.123	-0.614	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2ncccc2B(O)O)CC1	2223670645	AXQLUJDOXZTOMN-UWVGGRQHSA-N	249.123	-0.167	50	10	BBGE	
C[C@@H]1C[C@H](CNc2ncccc2B(O)O)CCN1	2223670821	DBNCIWFMRURJGZ-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CN1C	2223679266	NIMLTTIBIRPFDF-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
CCC[C@H]1CNCCN1c1ncccc1B(O)O	2223851921	ZPOBUBQRABXZOX-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
COCCN(C)C(=O)C1(B(O)O)CC1	2241474046	VSKDBNPHWCZJEF-UHFFFAOYSA-N	201.031	-0.902	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@H](C)Cl)C[C@H]1O	2241860329	WQNBUQCSMSBDEW-YTLHQDLWSA-N	207.657	-0.122	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)C#CB(O)O)CO1	2243362231	NYQBJFOZCNCCTG-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC=CCC1	2243362601	UBHMBGCJFIFADD-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CCOC1CCN(C(=O)C#CB(O)O)CC1	2243362737	VYZZJLUGDJYSLX-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CC2)CC1	2243364562	ZAHGRILZEXWANV-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
C[C@@H](CCO)N(C)C(=O)C1(B(O)O)CCC1	2243366045	WOUMWDORFKKIHJ-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ncsc1B(O)O	2243398533	RBEVHQNWAWPTBN-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CC(C)N(C)C(=O)c1ccc(B(O)O)cn1	2243401717	VYHJVWFBEOOKTK-UHFFFAOYSA-N	222.053	-0.758	50	10	BBGE	
C=CCNC(=O)c1c(Cl)cccc1B(O)O	2243408130	HSTFGPBSSDLORC-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2244551560	HSEISGAKNFAKPL-ZJUUUORDSA-N	223.081	-0.200	50	10	BBGE	
CCN(CCO)c1cc(B(O)O)c(Cl)cn1	2245913074	LUARQKSFJRKKFN-UHFFFAOYSA-N	244.487	-0.767	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccoc1B(O)O	2247739723	AEPGKXICSTVGIX-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCCC[C@H]1O	2247740874	QWFREGVWCQWFJL-NXEZZACHSA-N	239.080	-0.941	50	10	BBGE	
O=C(N1CCO[C@H]2CCC[C@@H]21)C1(B(O)O)CC1	2247756580	NXPTYGVKZWXJCH-IUCAKERBSA-N	239.080	-0.227	50	10	BBGE	
CCN(OC)C(=O)c1cccc(B(O)O)c1C	2247760391	HLRAPRDVHQVHLM-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)cn2C)[C@H]1C	2247762243	CRODOLFDIIBCRI-BQBZGAKWSA-N	236.080	-0.911	50	10	BBGE	
CCCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CNC1	2247790284	GMPDOXLWICIHBB-DTORHVGOSA-N	240.112	-0.502	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCC[C@H]1O	2247793386	XMTVOSXCOIOZCE-CKQMPDBCSA-N	241.096	-0.341	50	10	BBGE	
COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800432	OZHPESYKAUHAIJ-PRJMDXOYSA-N	243.068	-0.883	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1CNC(=O)C1(B(O)O)CC1	2247879747	XKANJTAWTQLDRU-JGVFFNPUSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CC1CC1)C1COC1	2247886968	IMFLPZSATNNKEB-ZJUUUORDSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H]1CC(O)C2	2247894675	JNYCOZASJJRVPX-ZRUAGYDASA-N	239.080	-0.636	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC=CC1	2247963995	STXWCOZUZPFRNM-UHFFFAOYSA-N	233.032	-0.916	50	10	BBGE	
C#CCNC(=O)[C@@H](C)N1CCC(B(O)O)CC1	2249377077	BFKAWSXQGLQTDV-SECBINFHSA-N	238.096	-0.937	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1cc(B(O)O)co1	2249406604	FXDFZUXVOOUSHO-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
CC(C)(NC(=O)c1cocc1B(O)O)C1CC1	2249416040	MEDPZSLYVZQROR-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CNCC12CC2	2249971685	VNZWZWQFYKBMHK-IWSPIJDZSA-N	238.096	-0.940	50	10	BBGE	
C#CC1(NC(=O)c2scc(C)c2B(O)O)CC1	2249995386	QJPGSMUHKFFDDC-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)CCN(C)C	2250967133	AAAFQTQJMJFHKS-VHSXEESVSA-N	246.355	-0.737	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3(CCC3)C2)n1	2254582351	YMFAOEXPCWNVPX-UHFFFAOYSA-N	248.091	-0.240	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1coc(B(O)O)c1	2255456902	VCLFIRHAYCBSHV-JTQLQIEISA-N	247.059	-0.413	50	10	BBGE	
Cc1ncncc1NC(=O)c1ccoc1B(O)O	2255463436	IUHVOTHMKHAMPV-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)c2ccccc2B(O)O)C1	2255525481	DVRBQIBWRTYMJO-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ncncc1B(O)O	2255691255	CJFVTHQHZHYOPZ-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2255728239	BVAVXMWYIXRKBV-XCWAXFADSA-N	249.075	-0.266	50	10	BBGE	
O=C(NC1CC(n2ccnc2)C1)[C@H]1C[C@@H]1B(O)O	2255783482	MMMNGZPCZRODIK-QLEHZGMVSA-N	249.079	-0.434	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1C[C@H]2C[C@H]2C1	2256017030	CMIDXBQSUAVSBS-OCAPTIKFSA-N	247.059	-0.836	50	10	BBGE	
O=C(CCO)N1CCCc2c(B(O)O)cccc21	2256664448	CODMWNNIQLCRFK-UHFFFAOYSA-N	249.075	-0.972	50	10	BBGE	
C=CC1CN(C(=O)c2ncc(B(O)O)cc2C)C1	2261370155	DNZHCZLEXQXWCS-UHFFFAOYSA-N	246.075	-0.672	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	2298357588	XZMGIIPMVQVMKR-CIQUZCHMSA-N	237.303	-0.083	50	10	BBGE	
CN(C)C[C@H]1C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368881	AZKFPXNNSOEHKO-BBBLOLIVSA-N	238.096	-0.822	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCO[C@@H]2C1	2298369623	ADAXXWYANJSKSC-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371358	JJWZSRMMMDHCRL-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C	2298377247	JQYRJMCKWFJHJC-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CCNCCOc1ccc(B(O)O)cc1C#N	2301341530	QFAYSNOLKRKAET-UHFFFAOYSA-N	234.064	-0.774	50	10	BBGE	
Cc1ccc(B(O)O)c(N(CCF)CCF)n1	2301661225	UENRMIQWLGYCIC-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1B(O)O	2302031010	DBCJNHXFBQSKBJ-IWSPIJDZSA-N	243.112	-0.239	50	10	BBGE	
NC1CC(COc2cc(B(O)O)c(F)cn2)C1	2303855588	NMGNNNVPUSRJBH-UHFFFAOYSA-N	240.043	-0.983	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCC[C@@H]1N	2317151152	NNXZTABOCCNOIH-JQWIXIFHSA-N	246.075	-0.503	50	10	BBGE	
CC(C)c1cc(CNC(=O)C#CB(O)O)ccn1	2327730001	YQPCZIAHYVZPCI-UHFFFAOYSA-N	246.075	-0.163	50	10	BBGE	
Nc1[nH]c(=O)[nH]c(=O)c1C(=O)CCCl	45951780	JSKPFJAXMHHAFA-UHFFFAOYSA-N	217.612	-0.543	50	10	BBGE	
COCc1cccc(NC(=O)C(=O)NN)c1	49513856	UJGMYWOWCPQKSL-UHFFFAOYSA-N	223.232	-0.239	50	10	BBGE	
CNC(=O)N([C@@H](C)CC(=O)O)N(C)C	82034784	ZQIOTSSZJHNQFB-LURJTMIESA-N	203.242	-0.032	50	10	BBGE	
Cc1cc2c(=O)n(CCCC(=O)NN)ccn2n1	130766661	FAKQNFNXCJVRBH-UHFFFAOYSA-N	249.274	-0.425	50	10	BBGE	
C[C@H](N[C@@H](O)C(=O)NN)c1ccccc1	218532325	DHDICIKEYHKHGR-CBAPKCEASA-N	209.249	-0.355	50	10	BBGE	
CN(C)C1CCN(c2cc(B(O)O)ccn2)CC1	224278005	GIQQNYOMTUVHJV-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CCOC1	232300578	UJZRMDPZYYULIQ-ZCFIWIBFSA-N	213.686	-0.067	50	10	BBGE	
CCOC[C@@H](NC(=O)C(=O)NN)C(C)C	233793831	HZFXVLJWFKQEIS-SSDOTTSWSA-N	217.269	-0.846	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)C[C@H]1OC	234787154	ZRPDTYRCJIUGIR-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COc1ccc2cc(B(O)O)cnc2c1	238372626	GCZYMLPODXVJOC-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CN1C(=O)COc2ccc(CC(=O)NN)cc21	258963639	HAKVOYVJOIDMHN-UHFFFAOYSA-N	235.243	-0.426	50	10	BBGE	
CN1C[C@H](NC(=O)CCCl)CC1=O	306344764	OMJQSGHPQHALIA-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CNC(=O)CCNC(=O)NCCCl	379407991	ZYMRRYSIFJTDIS-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
CN(C)NC(=O)CSc1n[nH]c(=N)s1	379595982	FCCYCUWLCAZSGE-UHFFFAOYSA-N	233.322	-0.364	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](O)C1	388627422	OMBOECWFXHWTTK-HRDYMLBCSA-N	215.297	-0.687	50	10	BBGE	
Nc1csc2c(C=O)ccc(B(O)O)c12	396245629	BXEANQNVBSVNTI-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CCOC1(C)CN([C@@H](C)CC(=O)NN)C1	399900796	FJYBMXWPMHELNG-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1cnn[nH]1	493169600	VQIGZXDAJDLZRE-ARJAWSKDSA-N	225.208	-0.884	50	10	BBGE	
NNC(=O)Cn1nnc2cc(C(=O)O)ccc21	585961644	CFHFUFYJMSHJTO-UHFFFAOYSA-N	235.203	-0.881	50	10	BBGE	
CC[N+]1=C=C([C@H](O)CBr)NN1	642875171	NQEGIVQOHYPPAL-ZCFIWIBFSA-N	221.078	-0.649	50	10	BBGE	
CN(C[C@@]12CCC[C@H]1OCC2)C(=O)C(=O)NN	687520159	VFRPRBNBAZINRW-KCJUWKMLSA-N	241.291	-0.606	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cn(C)nn1	690436261	HGLOZONPUIRFHK-QMMMGPOBSA-N	226.284	-0.985	50	10	BBGE	
N#C[C@H]1CCN(Cc2cc(C(=O)NN)no2)C1	693992650	RMKMOTFPPFKILY-SSDOTTSWSA-N	235.247	-0.376	50	10	BBGE	
COC(C)(C)CCn1cc(B(O)O)cn1	694532291	RDKVMTJJCSDJHJ-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1COC2	695049631	QONADHICVONRSE-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
COCCN(CCF)[C@@H](C)[C@@H](C)C(=O)NN	697059372	ZEEITDPLUUDABY-BDAKNGLRSA-N	235.303	-0.081	50	10	BBGE	
CNNC(=O)[C@@H](C)NC(=O)C(C)(C)C	704663815	BYJPPTNEQWFSIH-ZCFIWIBFSA-N	201.270	-0.212	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](C)[C@H]1CO	708470979	YYJBLZVHBIECNA-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2CC1(CO)C2	710665036	VBDYZKYRRDALBG-ZNFPMYQNSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COCCOC2CC2)O1	711943493	DZFQIHAKTSULIU-NXEZZACHSA-N	244.291	-0.281	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NNC(N)=O)C1	716998034	FOGHETYMOHLYFQ-LURJTMIESA-N	215.253	-0.109	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2cn[nH]c2)CCCO1	862472811	SYRUSYYNGICLKL-SNVBAGLBSA-N	238.247	-0.260	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H]1CCN1CC	1135525190	BUBPRPLRSOEVLH-QMMMGPOBSA-N	242.348	-0.238	50	10	BBGE	
CCCNC(=O)NNC(=O)c1ccnnc1	1319792756	SQXUKTGZHFLXFU-UHFFFAOYSA-N	223.236	-0.169	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)c1ccnnc1	1451683501	OFIUXCBDLJXJIX-UHFFFAOYSA-N	249.274	-0.645	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCCCO1)C(N)=O	1466167295	BUEQXDZIILFHKY-VIFPVBQESA-N	215.253	-0.013	50	10	BBGE	
CNc1ccc(C(=O)NNC(C)=O)nc1	1587587901	MNSODOASEAXSBJ-UHFFFAOYSA-N	208.221	-0.096	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)C1=COCCO1	1588289692	COESNSPXSGYMOH-UHFFFAOYSA-N	238.203	-0.941	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2cn[nH]c2)nn1	1623390128	MXYZRIQYTYEHGC-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2[nH]cnc2C)n[nH]1	1632064138	OOGSSMKRGYBXFM-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1cc(Cl)nc(N)n1	1632784264	TYTNYWNDNMMWRQ-BYPYZUCNSA-N	243.654	-0.298	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1632899441	SLMHKYBUSKEAQZ-SSDOTTSWSA-N	224.220	-0.974	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1CCc2nncn2C1	1638767408	YAACUGHWASXCAF-ZCFIWIBFSA-N	248.250	-0.898	50	10	BBGE	
COCCOCC(=O)NNC(=O)c1cocn1	1642243157	QRYYRVIYRQZGFM-UHFFFAOYSA-N	243.219	-0.901	50	10	BBGE	
O=CNNS(=O)(=O)c1cccc([N+](=O)[O-])c1	1858080695	NZCVDTFBPTYFOL-UHFFFAOYSA-N	245.216	-0.466	50	10	BBGE	
CN(N)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C	1880054359	MWLWGCLGGATGPP-SSDOTTSWSA-N	247.295	-0.406	50	10	BBGE	
C[C@H](CO)S(=O)(=O)NC[C@H]1C[C@H]1Cl	1883552594	NHYYKDOQPQPZAM-FSDSQADBSA-N	227.713	-0.086	50	10	BBGE	
CN(C[C@H](O)CCl)C[C@@]1(O)CCOC1	1886702559	GFGCTPNGWGAJMW-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	1890272425	CRBDLRHDDJNTCF-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](OC[C@@H]1[C@H]2COC[C@H]21)C(=O)NN	1890317711	WZSPPUFWKRWHQO-RULNZFCNSA-N	200.238	-0.726	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1894052296	CBCZLZYRFFTYIR-UYXSQOIJSA-N	213.281	-0.790	50	10	BBGE	
C[C@H]1NCCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901340829	KUHINOGGJUALGR-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@@H]2CC[C@H]2C1	1905583863	KRUHVGDWEDSCSV-GUBZILKMSA-N	238.096	-0.003	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1906625027	FIKGNBSNKZCFFA-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1CCN(c2ncccc2B(O)O)[C@H]1C	1908482512	UTTILSYXAOQOBJ-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1cc(C(=O)NN)co1	1908495481	YVMZWCRAIGRSLV-XCBNKYQSSA-N	239.275	-0.162	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ncccc1B(O)O	1913617867	NMUICZVBAWPUKX-SSDOTTSWSA-N	222.053	-0.254	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCCON)CC1	1917091294	AJOBKKWMQBTQLG-UHFFFAOYSA-N	245.304	-0.248	50	10	BBGE	
CN(CC(=O)NNC(=O)C(F)(F)F)C1CC1	1923393354	FMZVBVSWNCTNRL-UHFFFAOYSA-N	239.197	-0.210	50	10	BBGE	
CO[C@H]1CN(C)C[C@H]1NS(=O)(=O)CCl	1931647712	POCDVEWVWNTONH-RQJHMYQMSA-N	242.728	-0.569	50	10	BBGE	
CN(C)CCN(CCCl)c1nnnn1C	1934408936	OKYNXFCBQSPXRV-UHFFFAOYSA-N	232.719	-0.183	50	10	BBGE	
CCN(CC(C)(C)O)CC(F)(F)C(=O)NN	1935932492	RFFVBYGLGWJWTG-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
CN(C)C(=O)O[C@H]1CCCN(C(=O)NN)C1	1937169655	RIOIOZTWDPYQFJ-ZETCQYMHSA-N	230.268	-0.268	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](CO)C2)CC1	1938246860	MOKVONCWUSZVOL-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
Cn1ncc(C(=O)NC[C@H]2COC[C@@H]2Cl)n1	1939172483	OKLUSEMBENTXKN-BQBZGAKWSA-N	244.682	-0.201	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCn2ccnc2C1	1941087238	AXTLWEFOGQUPAX-BDAKNGLRSA-N	235.291	-0.675	50	10	BBGE	
CC1CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C(=O)C1	1941087984	ODIGSUIKUJJESE-SFYZADRCSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](CN1C[C@@]23CC[C@]2(COC3)C1)C(=O)NN	1942762757	VUQZWZIVSRQEQT-YUSALJHKSA-N	239.319	-0.275	50	10	BBGE	
CNC(=O)OC1CN([C@@H](C(=O)NN)C(C)C)C1	1943063537	UCAQWDMRNIQFIW-MRVPVSSYSA-N	244.295	-0.959	50	10	BBGE	
O=C(NNCCO)c1cccc([N+](=O)[O-])c1F	1944212040	RPWOTHBVJVXTFU-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H](C)C[C@H]1O	1944568392	FKJOARNSNGMPCW-SAVGLBRCSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)CCCN1CC2(CCC2)C[C@H]1CO	1946224052	USKOZJGCSPNLIW-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1946257929	UWCFLKDHVBZRII-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCN1C[C@]23CCC[C@]2(COC3)C1	1947540519	MZBFMBKMRYKACR-TXEJJXNPSA-N	239.319	-0.131	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1COCCCO1	1948399491	BTLWPHQTHVWAGR-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
OC[C@@]1(O)CCN(C[C@H](O)CCl)C1	1954821812	FKULEILEJURAKA-HTQZYQBOSA-N	209.673	-0.985	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@H]2OCC[C@@H]2O1	1955953336	PSWSOJNBLACMGC-LYFYHCNISA-N	201.226	-0.894	50	10	BBGE	
O=C1[C@@H]2CCO[C@H]2CN1C[C@@H](O)CCl	1956922740	ISMTZVXECXSWQG-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)CC(=O)NN)CC1	1958640196	UNTMSBLDQNACGX-DTORHVGOSA-N	215.297	-0.134	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1C	1964511150	WJZFDMSXPRJHJW-MRVPVSSYSA-N	237.068	-0.583	50	10	BBGE	
COC[C@@H]1CN(C(=O)NN)CC(C)(C)O1	1974945045	ZVISTUYYMNPJMN-ZETCQYMHSA-N	217.269	-0.305	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CC[C@@H](Cl)C1	1975022777	CDBGEOONZHJJDM-RQJHMYQMSA-N	229.671	-0.051	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ncon1	1976756873	ZGEAVXBKUOVOJH-NKWVEPMBSA-N	227.268	-0.484	50	10	BBGE	
Cc1cc(O[C@H]2CCOC2)ncc1B(O)O	1981421806	FUCKYJAERXIWNK-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
CCOCCCOc1ccncc1B(O)O	1981430678	QROQYHFUAFEUGP-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCCO1	1981469804	YPHCYSMNYRAOLM-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
CO[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	1982346587	XQOOLUHPZKYQQY-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
N[C@@H](B(O)O)c1cccc2c1OCCCO2	1983880633	OHXROHLZSNQLDZ-SNVBAGLBSA-N	223.037	-0.140	50	10	BBGE	
Cc1cc(OC(CF)CF)ncc1B(O)O	1985998178	WXIVFEIYKIHKHE-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CO[C@H]2CCOC2)O1	1986049855	WZVWHQAGOGFEOM-XHNCKOQMSA-N	230.264	-0.671	50	10	BBGE	
NC(=O)NNC(=O)c1cnn2c1CCCC2	1986143693	KIRDMYXRIIFFOQ-UHFFFAOYSA-N	223.236	-0.468	50	10	BBGE	
CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)/C=C/C(=O)Cl	1991713022	NTCNJQMNWLQZPK-MJYRYKOTSA-N	246.694	-0.071	50	10	BBGE	
C=C(COC[C@H]1COC(C)(C)CO1)B(O)O	1992147460	MNZVFVBNHVIMQK-VIFPVBQESA-N	230.069	-0.235	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@](F)(CO)C2)CC1	1995938552	YCMLIWGPTQUDPV-NSHDSACASA-N	245.298	-0.447	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C[C@H](C)O)C[C@H](C)O	1997349118	ARUPIWOWSBVZDQ-LPEHRKFASA-N	247.339	-0.791	50	10	BBGE	
C[C@](CO)(C(F)F)N1[C@H]2CC[C@H]1C(=O)OC2=O	1998353955	YBXHMURLFGABGX-VGIXGZPDSA-N	249.213	-0.081	50	10	BBGE	
NNC(=O)C(=O)N1CC(CC(F)F)(C2CC2)C1	1999688303	UCNKLDXDLDLJBR-UHFFFAOYSA-N	247.245	-0.130	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@H](C2)C1	2004916432	LOXSEDREZZNIGE-DTORHVGOSA-N	233.080	-0.607	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ncc(B(O)O)cc1F	2004933499	ILLDJDCLNAJHDD-HZGVNTEJSA-N	241.027	-0.686	50	10	BBGE	
CC[C@@H](C)CN(C)c1ncc(B(O)O)c(C)n1	2004975048	TUPMRPYLZWPIGL-MRVPVSSYSA-N	237.112	-0.053	50	10	BBGE	
OB(O)c1cnccc1-n1ccc(C2CC2)n1	2005008567	ZRVGHDFNEDYPST-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]1C(F)F	2005015168	WZACLPFMAVIYBM-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H]2C(F)F)CC1	2006816436	HRVOMHNOZQWHPN-SSDOTTSWSA-N	249.261	-0.278	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)CCCCC(=O)NN	2008155637	PIXNSWBATUAWTA-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C(=O)N(C)C)C1	2008308861	UQAHZJBFVMJHJY-VIFPVBQESA-N	242.323	-0.979	50	10	BBGE	
CC(C)(F)C1CN(c2ccncc2B(O)O)C1	2009075282	ITVCCTBIECBCET-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
CC(C)O[C@@]1(CN(C)CC(=O)NN)CCOC1	2014573809	SHCBDXMGEAEEOG-LLVKDONJSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2CCC[C@H]21	2014924552	NBGZLOWGUQWKOI-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
Cc1ncnc(Oc2cccnc2)c1B(O)O	2015499879	MREKGOBJXXTECM-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](CO)C12CC2	2016080889	QGXCBBAIPLZQGU-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	2017624097	VNZDJPXXJPZVGL-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC=C2B(O)O)O1	2020068638	UEBDBCOPYUCLFD-JEZHCXPESA-N	239.080	-0.229	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@H]1C1CC1	2022578790	IORHIXFMARWQBX-BDAKNGLRSA-N	234.064	-0.419	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)N[C@@H](CB(O)O)C(=O)O	2026418416	ZOGQMSISUHAHDL-RQJHMYQMSA-N	241.052	-0.781	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)C[C@H](C)C2)c1B(O)O	2052554628	XGZCLVLAYGGPBN-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncnc(-n2ccnc2C2CC2)c1B(O)O	2052602258	IDXRXSXHDHLGMG-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
COc1nc(N2CCC[C@H]3C[C@@H]32)ncc1B(O)O	2052626513	DFYQLVPDQADKPD-CBAPKCEASA-N	249.079	-0.846	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@@]1(C)CCOC1	2055449838	UVXNJJIBVIHUHP-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1CC2(CC2)C1	2055737638	KEOBDKZZXXUDBC-UHFFFAOYSA-N	244.063	-0.379	50	10	BBGE	
COc1ccc(B(O)O)c(Cl)c1[N+](=O)[O-]	2060016383	XHPVUQKKWSSJDS-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCOc1c(B(O)O)ccc([N+](=O)[O-])c1C#N	2060211808	IRJLOPBDKNLCDV-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CCc1c(C#N)cc(B(O)O)cc1C=O	2060235288	GJELOCPWSDWYEP-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn2ccnc2c1	2076076211	LHLZPNGKDGKODX-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
Cn1ncnc1COCc1cccc(B(O)O)c1	2080319562	TWEXAQQVLIGVEP-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CS(=O)(=O)N1CC(CN=C=S)C1	2208982813	RPHSNAWRCGFVNZ-UHFFFAOYSA-N	206.292	-0.019	50	10	BBGE	
N[C@@H]1CON(C[C@H]2C[C@H]2Br)C1=O	2209053929	GBEHYDOWBRJYBE-HSUXUTPPSA-N	235.081	-0.129	50	10	BBGE	
COc1ncc(CNC(=O)NN)s1	2209381367	PMCBHEAWUIHEBU-UHFFFAOYSA-N	202.239	-0.175	50	10	BBGE	
CS(C)(=O)=NCc1cc(B(O)O)cs1	2209686975	WXJDDZKRSJSRLH-UHFFFAOYSA-N	233.123	-0.345	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](CCCO)C1	2210537551	YKCVHXLRPJPPCK-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@H](C)C(=O)NN	2211399186	NSNNEZRCZJADJB-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNCCNCC1	2211441345	ZHGXTUVIDJSIJI-UHFFFAOYSA-N	245.710	-0.671	50	10	BBGE	
N#Cc1cnn(C[C@@H]2CC[C@@H]2C(=O)NN)c1	2211828455	ZRMWGRTXMMPMQU-IUCAKERBSA-N	219.248	-0.229	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COC[C@H]32)CCC1	2212263265	TWBLKUXWEZEESS-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
N#C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214598437	HEMZKBKNDJITJZ-NSHDSACASA-N	230.076	-0.288	50	10	BBGE	
Cc1cnc(CNc2cc(B(O)O)ccn2)o1	2217173481	RMCFVHCALSVSJD-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
NC[C@H]1CCCCN1c1cc(B(O)O)ccn1	2217175369	HVPWZDNLDONYLH-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
Cc1cnc(N2CC[C@H]2[C@H](C)O)cc1B(O)O	2217184635	QOWOHRHOHWTHJW-WPRPVWTQSA-N	236.080	-0.971	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@H]2C2CC2)[nH]c1	2217185434	XHMAQNKYKMLURF-SCZZXKLOSA-N	233.080	-0.964	50	10	BBGE	
C[C@@]1(CCOc2cc(B(O)O)ccn2)CCN1	2217189303	BFQAKWDVQSFWIC-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCNC1	2217196015	PGOCDKMTNRQFCF-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
CCN1CC[C@H](Nc2ncccc2B(O)O)C1	2217200507	KZFIZOJRNGTTFU-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CCN1	2223627810	OBAAIFQWDZETJB-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1c1cc(B(O)O)ccn1	2223637427	FQNBOJOMVXEKTC-PTRXPTGYSA-N	249.123	-0.677	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)N1CCCC1	2223641824	DMEHOWKTLIUZNC-SNVBAGLBSA-N	249.123	-0.921	50	10	BBGE	
CCN1CC[C@@H](CNc2cc(B(O)O)ccn2)C1	2223646418	KMNCTHIJJGSBHQ-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
CS(=O)(=O)N1CCOCC[C@H]1N=C=O	2241660095	ZBUGMNOYSAVCDT-ZETCQYMHSA-N	220.250	-0.670	50	10	BBGE	
O=C1NC(=O)N([C@H]2C[C@H](Br)C2)C1=O	2242387786	NSTRIUYTLZHARD-JPYJGEKTSA-N	247.048	-0.009	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCO1	2243350204	XLCWFTPQDLWBOF-UHFFFAOYSA-N	225.009	-0.955	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243364194	SPCHVUSXXSFWOE-SECBINFHSA-N	221.065	-0.135	50	10	BBGE	
C[C@@H]1COCCN(C(=O)C2(B(O)O)CC2)C1	2243365369	LPUCTQGRMJOOTB-QMMMGPOBSA-N	227.069	-0.512	50	10	BBGE	
O=C(NCc1cnco1)C1CC(B(O)O)C1	2243403897	FQUUAFRLAWLTLY-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1nscc1B(O)O	2243409607	LMGBXENMGPPTBS-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
C=CC1(NC(=O)c2csnc2B(O)O)CC1	2243415312	RVAUMSFPKHXCSQ-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
NNC(=O)C1(Cn2cccc(F)c2=O)CC1	2243927970	AWVVYXUQLDTVNU-UHFFFAOYSA-N	225.223	-0.243	50	10	BBGE	
OB(O)c1csc(CO[C@H]2C=CCOC2)c1	2244069283	VGCKKNISWBYYAU-VIFPVBQESA-N	240.089	-0.101	50	10	BBGE	
CC[C@H](CCO)CNC(=O)C1(B(O)O)CCC1	2247732445	FTPRHNMZLYXBOD-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
CO[C@H]1CCC[C@@H](CNC(=O)C#CB(O)O)C1	2247741546	BIWOFJHSVZCWKY-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(C=CCO2)C1	2247808896	NASOOLVBNMBTBE-KYZUINATSA-N	237.064	-0.593	50	10	BBGE	
Cc1nc[nH]c1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247810555	YHSVQRBKNXDLPD-SFYZADRCSA-N	237.068	-0.461	50	10	BBGE	
O=C(NC1CC2(CCOC2)C1)[C@@H]1C[C@H]1B(O)O	2247887711	RBOZVOFMEVBBKE-VCZAYRLQSA-N	239.080	-0.465	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247890821	BXAIFZKQXOISJS-MRVPVSSYSA-N	237.064	-0.038	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NCCF)c1	2247891592	KQROXYYUUQXDFX-UHFFFAOYSA-N	243.018	-0.487	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@]2(O)C[C@H]2C1	2247894387	GHSQFGQAASWUNZ-FTYOSLGDSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CO	2247898094	AJUCCGCEVGXRMF-RGOKHQFPSA-N	241.096	-0.674	50	10	BBGE	
O=C(NCCN1CC=CC1)[C@H]1C[C@H](B(O)O)C1	2247898317	CGXBIRFJASJFHS-MGCOHNPYSA-N	238.096	-0.773	50	10	BBGE	
CN1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247898710	HDLUNGYLYUGMAQ-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2247900014	SEQOBLOWWVPDPS-GENCIFFESA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@@H]1CNC[C@H](F)C1)[C@H]1C[C@@H](B(O)O)C1	2247911511	WKHPGSZDCQVOJP-XAVMHZPKSA-N	244.075	-0.944	50	10	BBGE	
CCC(F)(F)C(=O)Nc1cccc(B(O)O)n1	2248409539	ZGCOAGGGZJABEX-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
OB(O)C1CCN(C[C@H]2COCCCO2)CC1	2249346529	OMGIGMVXWHNIIA-NSHDSACASA-N	243.112	-0.269	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1cc(B(O)O)co1	2249417711	JYEMILONBUPHBT-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1cocc1B(O)O	2249422649	RFLZHVCLQDWYAK-GMSGAONNSA-N	235.048	-0.512	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccnnc1C	2251562770	MFKFWEGYDOBFHO-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1occc1B(O)O	2255483354	CLHSBIIOZBEMOE-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
Cc1ccc(C(=O)N2CCOCC2)cc1B(O)O	2255511656	NALLRHIPDRSLLF-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
CC1(NC(=O)c2ncccc2B(O)O)CCCC1	2255516587	NNYCMFBGVVNYPP-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255528390	AWNMQMHLDNXLEL-ZYHUDNBSSA-N	248.091	-0.320	50	10	BBGE	
NCCc1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1	2255570790	JEGXMYWCPXQQLB-QWRGUYRKSA-N	248.091	-0.011	50	10	BBGE	
COc1ccc2c(c1)CN(C(=O)C#CB(O)O)C2	2255672363	GCKAXHATNHVZDX-UHFFFAOYSA-N	245.043	-0.447	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1C[C@H]2C[C@@H]2C1	2255730096	GPOIJXPCYGTQFY-HTQZYQBOSA-N	248.091	-0.767	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257492174	SFRNKBGYUTUHMA-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC2(CC2)C1	2257494389	KKHYPGRAOZFZAC-UHFFFAOYSA-N	246.075	-0.694	50	10	BBGE	
Cc1cnc(O[C@H]2[C@@H]3CNC[C@H]2C3)cc1B(O)O	2258371933	SVQMBTMYPVASPM-BZBKMWRSSA-N	248.091	-0.943	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2cccnc2C1	2261368135	DFFKXSBPBWSBHS-VHSXEESVSA-N	246.075	-0.171	50	10	BBGE	
CN(C[C@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2298367395	DCDDJHTVOIJFAT-AXFHLTTASA-N	235.092	-0.104	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371332	ICYLYONVJTVCSR-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
NCC1(Oc2ccc(C=O)c(B(O)O)c2)CC1	2301421680	XUDUTLWTSXCUFN-UHFFFAOYSA-N	235.048	-0.951	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccoc1B(O)O	2312848168	QVWPRHBONXBFGU-XKSSXDPKSA-N	247.059	-0.346	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2318348257	QWFQKMDOHMTNKK-JMJZKYOTSA-N	248.091	-0.625	50	10	BBGE	
CN(Cc1cccs1)C(=O)C(=O)NN	35718239	ZKIXPGMTFGPGPU-UHFFFAOYSA-N	213.262	-0.304	50	10	BBGE	
CN(CCCC(=O)NN)CCN1CCCC1	82469060	BCRZEMWRXIPOJC-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
CC(C)NC(=O)CN(C)CCCC(=O)NN	82470371	LTEFPZPIWHFAAP-UHFFFAOYSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)c1cc(CSc2ncn[nH]2)on1	82471859	GKIJZSUFWFXKCR-UHFFFAOYSA-N	240.248	-0.312	50	10	BBGE	
C[C@H]1CN([C@@H](C)CCC(=O)NN)CCN1C	82485316	HXPPVNLAOIMRJE-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
N#Cc1nccn1Cc1ccoc1C(=O)NN	94940818	MFULQAYERWFTJL-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214682	XIRGXFHXEAOPJK-NQMVMOMDSA-N	227.308	-0.257	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CC[C@@H]1O	127611278	VDAYTFDQGKFVKC-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
Cn1ccn(C[C@H](Cl)C#N)c(=O)c1=O	132586756	IHWUITOPUQSLRS-ZCFIWIBFSA-N	213.624	-0.322	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCOC(N)=O	135268443	NEGKOXLMXOJGIC-BYPYZUCNSA-N	237.643	-0.465	50	10	BBGE	
CN(C)c1cccc(NC(=O)C(=O)NN)c1	162629445	YNOJNQBXBMMWMM-UHFFFAOYSA-N	222.248	-0.319	50	10	BBGE	
COCCC(=O)NCCNC(=O)CCl	169918346	UCQDPUFVYQJQFW-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
C=CC[C@@](N)(CCCCB(O)O)C(=O)O	198063427	UFTRIFNEAUZJLR-SECBINFHSA-N	215.058	-0.012	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@H]2CCOC2)c1	211803992	JLQAMTSEYIQHBQ-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467837	ZBPJTGIGICBNAK-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C(=O)NN)[C@@H](C)C1	226213000	CAOCYJYHEJCWHL-BIIVOSGPSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](CNS(=O)(=O)CCl)[S@](C)=O	229764248	ZYJFEOCUMNPZRE-GCXOYZPQSA-N	233.742	-0.131	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1COCCO1	232298682	RYOGJTLXCOTJKL-SSDOTTSWSA-N	243.712	-0.440	50	10	BBGE	
O=C(O)Cc1nc(Cl)ccc1B(O)O	238622831	QQCZRBUYWAMMFT-UHFFFAOYSA-N	215.401	-0.958	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCC[C@H]1O	252921815	HQMXSSHPYOLEHZ-VHSXEESVSA-N	243.307	-0.611	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCC[C@H]1O	252933261	VSAARDLIUGAJLT-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
O=C=NCc1ccc(N2CCNC(=O)C2=O)cc1	258464847	ZXZIXWKDWVJION-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
NNC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1	258728827	JUEVQHQTTSPHPA-UHFFFAOYSA-N	235.247	-0.428	50	10	BBGE	
CN1CCC[C@H](C[C@@H](N)C(=O)N(C)N)C1	259040605	KRSOKMUAOSOJLQ-RKDXNWHRSA-N	214.313	-0.622	50	10	BBGE	
CCOC(=O)C1=C(C#N)C=NS1(=O)=O	260215205	QNADISGHLPBACO-UHFFFAOYSA-N	214.202	-0.259	50	10	BBGE	
NNc1cc(CBr)cc(B(O)O)c1	306525116	AFAKLMGBJANHPF-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	308863065	KGWIMVHUSRSJKM-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CO[C@@]1(C)CCN(C[C@H](C)C(=O)NN)C1	308886415	WVILLVRGGOYMAS-WPRPVWTQSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]1CS2	321505686	UHUIBSNMQXMABS-JGVFFNPUSA-N	215.322	-0.054	50	10	BBGE	
CS(=O)(=O)CCN[C@H]1COC[C@H]1Cl	323362351	LGBDOAGWXZUDDV-RQJHMYQMSA-N	227.713	-0.373	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CN2CCC1CC2	382416446	MTWUOZOBUZTXSO-WDEREUQCSA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@H](C)C(=O)NN	389202402	FBBRYNHKBPCCFH-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
OCc1c(O)sc2cc(B(O)O)ccc12	396388175	ZXTWTSXPAVKCNX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H](CN1CCN(C2CC2)C[C@@H]1C)C(=O)NN	402796497	VJFDUFOPCQHKGY-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	404964171	GHQQSHUHSBYLHT-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CN1CCC[C@H](C(=O)NNC(N)=O)C1	606275227	NBLHRQJSLYNYDV-LURJTMIESA-N	200.242	-0.972	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CN(C)CC(=O)NN	686389324	QSSAHHAEDNULJW-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687259491	OBWRORCTYDECPI-RCWTZXSCSA-N	240.351	-0.221	50	10	BBGE	
CN1C[C@@H](NC(=O)OCCl)C(=O)N1	692881546	APJQEKSQUJQHMC-SCSAIBSYSA-N	207.617	-0.746	50	10	BBGE	
CN(CCCS(C)(=O)=O)C[C@H](O)CCl	694160310	OUAQADUKFIMFQC-MRVPVSSYSA-N	243.756	-0.047	50	10	BBGE	
Cc1nn(CCOCC(C)C)c(C)c1B(O)O	694308722	MTFVSNYCMIGBDS-UHFFFAOYSA-N	240.112	-0.148	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)C[C@@H]1CO	698215177	OPVDAZMFORZLJJ-RITPCOANSA-N	238.081	-0.665	50	10	BBGE	
CCOC[C@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703452518	QZXHOKKUBSBAJB-VGMNWLOBSA-N	243.259	-0.700	50	10	BBGE	
CN1C[C@@]2(C)CN(CCC(=O)NN)C[C@]2(C)C1	706290031	MOFYJHBQDGEKTM-RYUDHWBXSA-N	240.351	-0.360	50	10	BBGE	
COC[C@@H]1CN(CC(C)(C)C(=O)NN)CCO1	706718459	ZHVXGAMBISVBMX-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
CC(=O)N1Cc2ccc(B(O)O)cc2C1	707941111	HZHWYPCQNIFCET-UHFFFAOYSA-N	205.022	-0.772	50	10	BBGE	
CN(Cc1nnnn1C)[C@H]1COC[C@H]1Cl	709149232	FVWBVROUMATXAJ-RQJHMYQMSA-N	231.687	-0.352	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718166713	LJSSFOXLHWHLDZ-OEZYJKACSA-N	225.292	-0.526	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ncccn1	718907912	BYYCWBHCZPGENS-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](C)CC1	720474925	PFDFTEMKAAECAK-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)N1CCN(CCOCCCl)CC1	721656562	CSWKEPONXXIJBX-UHFFFAOYSA-N	235.715	-0.062	50	10	BBGE	
NNC(=O)c1nc(CN2CCOC2=O)ns1	724347153	FFIKJLNRULTGPU-UHFFFAOYSA-N	243.248	-0.906	50	10	BBGE	
CO[C@H]1CCOC[C@@H]1N1CC(=O)OC(=O)C1	725060103	JNTSHHBTBFNBGN-YUMQZZPRSA-N	229.232	-0.824	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)C1CC1	730768713	IDYYJIIEBOKSSO-UHFFFAOYSA-N	200.238	-0.031	50	10	BBGE	
CC(=O)NNC(=O)c1nc(C)c(C)[nH]c1=O	763388642	WHMAJJPFCJINFN-UHFFFAOYSA-N	224.220	-0.832	50	10	BBGE	
CNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C	770850784	DXYHJBUNOOQDSC-RITPCOANSA-N	217.294	-0.464	50	10	BBGE	
CC(=NNC(=O)CN1CCCC1=O)c1cn[nH]c1	794850234	HGZFOFSXVKONLD-UHFFFAOYSA-N	249.274	-0.128	50	10	BBGE	
Cn1ncc(Br)c1CC(=O)NN	884241047	OBGRXOAUGICSSN-UHFFFAOYSA-N	233.069	-0.285	50	10	BBGE	
COCC#CC(=O)NNC(=O)C(C)(C)C	1160579210	RAPJLPHVMZXBJA-UHFFFAOYSA-N	212.249	-0.170	50	10	BBGE	
Cc1nn(C)cc1C(=O)NNc1nnc(C)n1C	1330107893	JWROLYNNAUKKFG-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2cccnc2c1	1457727737	CXSYHCCDHQGRMG-UHFFFAOYSA-N	245.238	-0.012	50	10	BBGE	
COc1cncc(C(=O)NNc2ccn(C)n2)n1	1457820518	LSFIKODLWNGKKZ-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
Cn1c(C(=O)NNC(=O)c2ccc[nH]2)cnc1O	1540500599	LQGNBEKFJQOUIR-UHFFFAOYSA-N	249.230	-0.471	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ncccn1	1597865675	YIQNUPZVSVZZAV-QMMMGPOBSA-N	248.242	-0.724	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1ccc(=O)n(C)c1	1653053717	PWQXTQJLQOQCSJ-ONEGZZNKSA-N	235.243	-0.278	50	10	BBGE	
CC(C)(C)OC(=O)NC1(C(=O)NN)COC1	1879958772	XHNLLAWZFWAGTJ-UHFFFAOYSA-N	231.252	-0.730	50	10	BBGE	
O=S(=O)(CCCO)NC[C@H]1C[C@@H]1Cl	1883556515	ZLGYVCHTOJEBSP-RQJHMYQMSA-N	227.713	-0.085	50	10	BBGE	
CN(C)CCOCC(C)(C)C(=O)NN	1884725170	JLCHFXVYOFOHAJ-UHFFFAOYSA-N	203.286	-0.419	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@]1(O)CCNC1	1886139127	SEVNCWKBTWKLPK-QXUHLLMWSA-N	218.684	-0.403	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C(=O)F	1887186595	PGNLWRPUTYAMBN-ZCFIWIBFSA-N	204.201	-0.087	50	10	BBGE	
COC(=O)c1nnn(CCO)c1CCl	1888109312	BFPFVGZXHYQJTI-UHFFFAOYSA-N	219.628	-0.204	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@H]1Cl)c1nc[nH]n1	1893120244	USDNBKSDEGNEAU-CRCLSJGQSA-N	236.684	-0.290	50	10	BBGE	
NC1CN(S(=O)(=O)NC[C@@H]2C[C@H]2Cl)C1	1893127072	FRTAACPPJSQARU-CAHLUQPWSA-N	239.728	-0.909	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCO[C@@H](CO)C1	1893470938	YDHTVKQPQRHFIT-CSMHCCOUSA-N	219.668	-0.167	50	10	BBGE	
CN(Cc1cnsn1)C[C@@H]1C[C@H]1C(=O)NN	1894853584	PWVFCJNYLVZDDT-POYBYMJQSA-N	241.320	-0.404	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](N)C1(C)CC1	1901374905	HYHAPJFNPJBAHI-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCS(=O)CC1	1901757887	WWHQBHRNMDIZPR-SECBINFHSA-N	247.364	-0.401	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@]1(O)CCNC1	1901996116	VFZORPWDEDRGNF-LLVKDONJSA-N	229.324	-0.136	50	10	BBGE	
O=C1NCCCC[C@@H]1N1CC[C@H](B(O)O)C1	1902506954	YYMVCQIUQLTMDR-IUCAKERBSA-N	226.085	-0.796	50	10	BBGE	
CS[C@@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1905229816	MFRWTQCXLGHIHV-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)[C@@H]2C1	1905721712	AOVUNHMECSPESG-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1cc(C(=O)NN)no1	1908493114	BIZBRFRQWVXNEM-MUWHJKNJSA-N	240.263	-0.767	50	10	BBGE	
CC(F)(F)CC(=O)Nc1ncccc1B(O)O	1913595213	GPWBSXQFOJWGND-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN=S1(=O)CCC1	1913869872	LBKCDEOCEIHBCC-BQBZGAKWSA-N	217.294	-0.516	50	10	BBGE	
Cn1ncc(N)c1N1CCC(O)(C#N)CC1	1916392221	QXEVXLANYKCLBT-UHFFFAOYSA-N	221.264	-0.143	50	10	BBGE	
C[C@@H](CCO)N(C)Cc1cc(C(=O)NN)no1	1916501335	YFXAHNWAROZMAX-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
C[C@@H](C(=O)N1CC=C(C#N)CC1)N1CCNCC1	1917108115	FWKHERQYZLHNKM-NSHDSACASA-N	248.330	-0.038	50	10	BBGE	
CON(CC(C)(C)C)C(=O)C(=O)NN	1928703326	WRDLJYPCECZWMS-UHFFFAOYSA-N	203.242	-0.588	50	10	BBGE	
N#CCONS(=O)(=O)CCCCl	1930370820	ZWFRXXCQCZYLOC-UHFFFAOYSA-N	212.658	-0.010	50	10	BBGE	
N=c1[nH]nc(SCC2(C(=O)NN)CC2)s1	1931269869	WXRRIOLSICDYSG-UHFFFAOYSA-N	245.333	-0.187	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1F	1932374602	XOVJDIQTVUEDIV-NTSWFWBYSA-N	225.214	-0.099	50	10	BBGE	
CC[C@H]1COCCN(CC(=O)NN)C1	1933531848	LZVQOZAEAASQCR-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094889	RBNXUXCWZOODSQ-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
Cc1cc(CN2CCC2=O)oc1C(=O)NN	1937407740	FVXSSQQVWNRPFB-UHFFFAOYSA-N	223.232	-0.076	50	10	BBGE	
NNC(=O)CCCN1C[C@H](C2CC2)[C@@H](O)C1	1937478317	XJVPXDRXFITILI-ZJUUUORDSA-N	227.308	-0.541	50	10	BBGE	
O=C1CN(C2C[C@@H]3COC[C@H]3C2)CC(=O)O1	1939481156	KZJLZLPSDJYMMV-HTQZYQBOSA-N	225.244	-0.203	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@@H](O)CC[C@H]21	1940523413	HMBIZIVLEGICPS-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1945566492	YLXXNXPSSFGVHC-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)C[C@@H](CO)O1	1956256079	IPOFUFBOVXTPOK-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](CC(=O)NN)N=[S@](C)(=O)N(C)C	1956457131	AUMANOSOIKADQQ-RCNPXXIZSA-N	222.314	-0.671	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	1957686904	QUVRYFSNVLJVBS-PXSBVEPCSA-N	209.293	-0.049	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	1957990173	XVTDVJJXEKYVPN-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CN(C)[C@@H]1CN(CC(=O)NN)C(C)(C)C1	1959122604	LVKDNNMZZNJHBI-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1n1cnnc1CCl	1962116978	HEEOVSTYXPNMOF-FSPLSTOPSA-N	230.655	-0.168	50	10	BBGE	
CC=CCNC(=O)c1cccc(B(O)O)c1	1963153004	ZEKIJGAKHMHUGC-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
O=C1NC[C@@]2(CCN(C[C@@H](O)CCl)C2)N1	1974909679	UUTOSVYJLYEMOC-IONNQARKSA-N	233.699	-0.657	50	10	BBGE	
C[S@](=O)(=NCCCC(=O)NN)N1CCCC1	1979785843	YKXRXHBTSMKUKI-INIZCTEOSA-N	248.352	-0.135	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1COCCC1(F)F	1980167179	OCDQNDPOVWOICH-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCCO2)n1	1980594251	RXUUDCPFJGNTHL-UHFFFAOYSA-N	225.252	-0.839	50	10	BBGE	
C[C@@H](CN1CCOCC2(CC2)C1)C(=O)NN	1981013939	CVGHPCURPCYHKE-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)C(=O)NN)nn1C	1986082770	PPMBJVFTSCAWTI-MRVPVSSYSA-N	225.296	-0.461	50	10	BBGE	
Cc1cnc(N2CC[C@H]2CF)c(B(O)O)c1	1986085385	VPGBKWHIEQTIGP-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H](O)c1cnc[nH]1	1991663669	WYNYYKLHDWXXGO-ZETCQYMHSA-N	243.650	-0.119	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3Cl)C2)N1	1991695268	ZAZAGGYNGLTHRX-FWWHASMVSA-N	243.694	-0.102	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COC2(CCC2)[C@@H]1Cl	1995075722	YDTOAWNCQYMILQ-RNFRBKRXSA-N	243.698	-0.027	50	10	BBGE	
Cc1nc([C@@H]2CCCN2[C@@H](C)C(=O)NN)no1	1997769343	ZHPCAQWLUPUROP-XPUUQOCRSA-N	239.279	-0.107	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCCC12COC2	2001490863	QGNSBIKCFUASHO-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(=O)NC2	2003958021	LWNDVTNFKQIAGX-VGMNWLOBSA-N	240.307	-0.892	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)C[C@H]1OC	2004906655	JYHMFQKZSJNVJV-DOLQZWNJSA-N	245.323	-0.511	50	10	BBGE	
COCCCCN(C)c1ccncc1B(O)O	2004930346	SRICTQHEDWZOCR-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2CC=CC2)n1	2004939020	JMFGYBZXZWCMAM-UHFFFAOYSA-N	234.064	-0.129	50	10	BBGE	
N#Cc1cncc(OC[C@H]2C[C@@H]2C(=O)NN)c1	2007700678	KZEYAXAUVDMODZ-SCZZXKLOSA-N	232.243	-0.042	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)nc1	2011373676	QBEASXWGEGFPJC-GMSGAONNSA-N	236.275	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CC(=O)N(C)C1	2014824262	LRUIZMIVAQODLM-XHNCKOQMSA-N	242.323	-0.837	50	10	BBGE	
CN1C[C@H](N(C)CCC(=O)NN)CCCC1=O	2014825126	LOVUFJWXQMQGMO-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
Cc1nc(NC(=O)CC2CC2)ncc1B(O)O	2015729095	BYEXRXQIKJMCFM-UHFFFAOYSA-N	235.052	-0.797	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CO)C12CCC2	2016078860	COGDOEOCLSBOAD-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@@]1(C)O	2017233299	DBXUKONAXUUDRS-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
CO[C@]1(C)CCCN(CC(=O)NNC(C)=O)C1	2019209565	DUSDPWPWCYAFFA-LLVKDONJSA-N	243.307	-0.345	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CCN(C)C2)n1	2021067965	LFJYQBHPFVUUFZ-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1cc(C(=O)NN)no1	2023142947	OQDZQMDRORXSCW-QMMMGPOBSA-N	240.263	-0.767	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H](CO)CCC1(C)C	2025476051	MJYMMVQEYLDTCC-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1(C2CC2)CC1	2028110337	UZVNTIZQUPYJDU-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1)C1CN(C)C1	2030288100	YDFQVEQIIQBSLC-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
Cc1nc(N2CC[C@@H](C(C)C)C2)ncc1B(O)O	2052558143	WYRBSDORJRMXGX-SNVBAGLBSA-N	249.123	-0.053	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(B(O)O)c1	2052625711	NWNOHTIRPNNKGK-WDCWCFNPSA-N	244.103	-0.086	50	10	BBGE	
CCc1cc(B(O)O)cc(OC)c1C=O	2060159370	NKTLWDHOCADRMP-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1cc(F)c(C#N)cc1B(O)O	2060169481	MEJREINQGPEKIL-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CC[C@]3(C)C2)n1	2087041929	ORMZIJDOTHJZIE-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
CC(C)[C@H](CO)Sc1cc(B(O)O)ccn1	2212600215	TUWVRPVAXBFYJC-VIFPVBQESA-N	241.121	-0.130	50	10	BBGE	
CCSC[C@H](C)Nc1ncc(B(O)O)cn1	2212610120	CNUVNVGGYKKMCO-ZETCQYMHSA-N	241.125	-0.290	50	10	BBGE	
C[C@H]1[C@H](Nc2ncc(B(O)O)cn2)C1(F)F	2212611227	XHYWJLBXUAHYAP-NJGYIYPDSA-N	228.995	-0.778	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(B(O)O)cn1	2212612600	MJOCUFIETOGIEA-SNVBAGLBSA-N	216.049	-0.637	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1cccc(B(O)O)c1	2214606329	VKNIWBPTRIVTHC-LLVKDONJSA-N	235.092	-0.679	50	10	BBGE	
Cc1nccn(C[C@H]2CC[C@H]2C(=O)NN)c1=O	2215770586	COZOFTRAKIDQSC-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C[C@H]1CCN1C	2215774947	FPCLLNUVXNGLTC-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@H]2CC[C@H]2C(=O)NN)C1	2215775666	IJZZQCKLHDGCRI-IWSPIJDZSA-N	241.291	-0.750	50	10	BBGE	
COCCOCCOC[C@H]1CC[C@H]1C(=O)NN	2215775972	JXOAQQZQFPETQG-NXEZZACHSA-N	246.307	-0.318	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]2C2CCC2)nc1	2217171497	BHLYMIFGEAMVCO-VHSXEESVSA-N	233.080	-0.243	50	10	BBGE	
C[C@@]1(C#N)CCN(c2cc(B(O)O)ccn2)C1	2217174260	YBUABZNPXPIRRJ-NSHDSACASA-N	231.064	-0.499	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Nc1ncccc1B(O)O	2217176260	UGSDCOKINVWWKC-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1ccnc(NCCc2cscn2)c1	2217178441	WCOCADRYXPLESC-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@@H]2O)cc1B(O)O	2217179220	IBBUMYBPLPOAPW-ZJUUUORDSA-N	236.080	-0.605	50	10	BBGE	
OB(O)c1ccc(NCC2[C@@H]3COC[C@@H]23)nc1	2217179235	IHQJJUNZJBHGTK-UWVGGRQHSA-N	234.064	-0.934	50	10	BBGE	
C#CC[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2217194767	CIXGTVRVXOSMQC-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)ccn1	2217204611	MDSOTSQTOYMTAR-URLYPYJESA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C[C@H]3CC[C@H]2C3)nc1	2217327645	ACSBJMHOCIFQGY-NRPADANISA-N	234.064	-0.276	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC=CC[C@@H]3C2)nc1	2223631832	BGENVKZWRNEVOX-NXEZZACHSA-N	245.091	-0.441	50	10	BBGE	
Cc1cnc(N2CCC[C@@]2(C)CN)cc1B(O)O	2223641749	CWUWJMRTLOHNTG-LBPRGKRZSA-N	249.123	-0.613	50	10	BBGE	
CCN[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223653416	RHMFNZBBBLWVDJ-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
Cc1cc(N)cc(Oc2ncc(B(O)O)cn2)c1	2223664617	XVAMDDQEGAJUQG-UHFFFAOYSA-N	245.047	-0.161	50	10	BBGE	
CN(C[C@@H]1CCCNC1)c1cc(B(O)O)ccn1	2223679190	MJNVREZDKGWZHO-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1[C@@H]2CCCC[C@@H]12	2224026853	QLOYGMHPFSCTTF-NXEZZACHSA-N	248.091	-0.641	50	10	BBGE	
CCN(CCF)C(=O)[C@H]1C[C@H]1B(O)O	2241496349	RQSOJKOBRGXUAP-NKWVEPMBSA-N	203.022	-0.333	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)C1(B(O)O)CC1	2241728696	ATYCVTNCBDGXEA-LURJTMIESA-N	203.022	-0.190	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC(F)(F)C12CCC2	2243139709	BSRSXWYGNCIZNK-LURJTMIESA-N	233.023	-0.060	50	10	BBGE	
CCOC1CN(C(=O)C2(B(O)O)CCC2)C1	2243346602	BGWKCUVIERZSJH-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243349108	GESLLLSKNKKOHG-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
CC[C@@H](CN(C)C(=O)C1(B(O)O)CC1)OC	2243363398	GEKPQNMPVXQELF-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243380916	AJSAESLUCAQGJP-KHQFGBGNSA-N	227.069	-0.777	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382793	RZWLMRYICYLPQJ-KZVJFYERSA-N	227.069	-0.467	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2243382976	TWBSDGRHYUWSFB-YWIQKCBGSA-N	231.032	-0.908	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2243390837	BZFVGFQAIMPMLH-UEJVZZJDSA-N	227.069	-0.513	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243392490	URVRBBKUVUPWJE-QXFUBDJGSA-N	229.085	-0.483	50	10	BBGE	
CC1(C)CCC(=O)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243395965	FMYJHLBWSDNJDA-BQBZGAKWSA-N	225.053	-0.223	50	10	BBGE	
CC(C)C[C@@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243404811	UWYVQROWBZBIMN-NXEZZACHSA-N	223.081	-0.200	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1occc1B(O)O	2243411215	QDRFVFCZWAFLCV-ZETCQYMHSA-N	223.037	-0.512	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)C1CC(B(O)O)C1	2243414165	UZIRMHDPQNPYLV-VBSAPZBBSA-N	227.069	-0.610	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243414772	HYULVNQWHZVDLN-HXFLIBJXSA-N	227.069	-0.467	50	10	BBGE	
CCNC1CN(C(=O)C2CC(B(O)O)C2)C1	2243415968	GJTPNTWCRXCBCW-UHFFFAOYSA-N	226.085	-0.940	50	10	BBGE	
CCOCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243419673	DNGRLJVGOKZCEL-IUCAKERBSA-N	227.069	-0.656	50	10	BBGE	
CN(C)C1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243426878	NDXKZEOQKVGBGY-JGVFFNPUSA-N	226.085	-0.988	50	10	BBGE	
CN(C(=O)Nc1cccc(B(O)O)c1)C1CC1	2247200003	HNLIFZBVVWGBBI-UHFFFAOYSA-N	234.064	-0.008	50	10	BBGE	
CC(C)N1CCN(C(=O)C2(B(O)O)CC2)CC1	2247754971	OKZDYBWDVNNHQN-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1occc1B(O)O	2247756586	NZNVAHKCVDMQKU-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
CN1CCC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247758425	ZGFVFCNRCDZRGS-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cn2)CCC1	2247769640	KMSOZDKQYUUVGL-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247788432	FTCIDGBCJJCXPU-QMMMGPOBSA-N	235.048	-0.591	50	10	BBGE	
O=C(Nc1cccnc1)c1csnc1B(O)O	2247788770	KWJBFLOMRMEOAU-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NC(C)C)c1	2247795682	MELQUHJTDGIFBF-UHFFFAOYSA-N	239.055	-0.048	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C(=O)[C@@H]1C[C@@H]1B(O)O	2247798835	XODRLKFXLUBCGR-XGEHTFHBSA-N	245.059	-0.565	50	10	BBGE	
CCC1(N)CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247805005	ABOZPSMOZFGGRW-SVWHESJJSA-N	240.112	-0.375	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247807479	IKCZMGUQMZVXPJ-HLTSFMKQSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2ccc(B(O)O)o2)C1(F)F	2247850868	AKTYQGRNHILEOX-MHTLYPKNSA-N	244.990	-0.657	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247854200	YQDVIYBUGXLQCB-HTQZYQBOSA-N	240.112	-0.375	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1O	2247855665	WDQJMBLCLPPNAJ-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC1(C)C	2247867178	ACFGPDVAPRFGNB-MRVPVSSYSA-N	237.064	-0.204	50	10	BBGE	
O=C(N1CC[C@]2(CCCO2)C1)C1(B(O)O)CC1	2247878301	NCFXGJJJDFOYLP-SNVBAGLBSA-N	239.080	-0.225	50	10	BBGE	
COC[C@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247909040	DMZZSJVEQJKDKE-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cc1O	2247962575	PWFISBUDRMETFQ-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)C1(B(O)O)CCC1	2248425977	UUQTWFHSESBIER-VIFPVBQESA-N	242.128	-0.125	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)C1CC(B(O)O)C1	2248580466	YNXPOEVYRCBAFH-FACXLHOTSA-N	241.052	-0.687	50	10	BBGE	
O=C(O)CC[C@H]1CCN1C(=O)C1(B(O)O)CC1	2248593524	NVCHXWOBUPKGMJ-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
CCON(C)C(=O)c1ncc(B(O)O)cc1C	2248967706	CGQBZWPNWQVTDX-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
CN(CC1CCC1)C(=O)c1cocc1B(O)O	2249415348	CNLXKDLEEONPOH-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3ccoc3B(O)O)[C@H]1C2	2255714074	LSQINROUQDUEPO-KBVBSXBZSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(C)cc1B(O)O	2255735934	DMCZSHVANSGXQN-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
CCC1(NC(=O)c2nccc(C)c2B(O)O)CC1	2255790414	XQPWHSRDIYXXMM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1cccc(B(O)O)c1	2255891123	SJDCYNALKTTYIK-SNVBAGLBSA-N	246.075	-0.100	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)Nc1ccc(B(O)O)cc1	2255905088	AMHLTGDCOJCLGN-LLVKDONJSA-N	244.059	-0.394	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256018437	NBNPAQNFQIIIPC-QMMMGPOBSA-N	249.075	-0.234	50	10	BBGE	
C[C@@H](NC(=O)c1nccnc1B(O)O)C1CCC1	2256063901	XDLBOSMLELHZQM-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2NCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2298369230	NFQQXOOUCLVSLG-SVSWQMSJSA-N	238.096	-0.894	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1CN2C	2302053834	XRGHAEMKZLBOAR-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2302189453	ZAVXMIMBEYNSHY-CHHOWFRJSA-N	239.080	-0.515	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303852321	LDHSAXHQQPEABX-IUCAKERBSA-N	240.043	-0.841	50	10	BBGE	
CO[C@@H]1COCCN(CC(B(O)O)=C(C)C)C1	2306809223	HPWROQLRIHGTNI-JTQLQIEISA-N	243.112	-0.318	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3c[nH]nc3B(O)O)[C@@H]1C2	2312853338	VURXDDPWDYRWTG-RNSXUZJQSA-N	249.079	-0.992	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317310059	YRVYRLGBGCJKEJ-UFBFGSQYSA-N	248.091	-0.672	50	10	BBGE	
NC[C@]12C[C@H](CCN1c1ccc(B(O)O)cn1)C2	2318314333	RGPOTJSYGJBYMJ-WVSHTKLVSA-N	247.107	-0.921	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nnc3cccnn23)C1	2319749504	LKVQNFCYFJLFTH-MRVPVSSYSA-N	247.067	-0.827	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)nc1	2328035513	PPTDCWMCHZIHSZ-IUCAKERBSA-N	249.079	-0.051	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnsn1	49467675	NBMIANQQKIXVLY-UHFFFAOYSA-N	229.265	-0.110	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]([C@@H](C)N)C1	70174628	ULFXLSKDESJMHG-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)c1cnc(N2CCOCC2)s1	82418793	CUDPUCWIDRLGNX-UHFFFAOYSA-N	228.277	-0.417	50	10	BBGE	
C[C@@](O)(C#N)c1nnc2c(=O)c3c([nH]n12)CCC3	106366208	LLLDGIUAYJWPJS-LLVKDONJSA-N	245.242	-0.363	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CCCC2)CC1	110580534	MMSXHPFMASZEBL-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1[C@@H](C)CC(=O)NN	110590239	FOOVRWSSYKULAU-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CC(C)[C@H](Sc1ncnn1C)C(=O)NN	128061673	CCCLCBAZBCGXRW-LURJTMIESA-N	229.309	-0.078	50	10	BBGE	
Cc1cccn(CC(=O)NN(C)C(N)=O)c1=O	182665125	VJWHQUBTUQKPKP-UHFFFAOYSA-N	238.247	-0.802	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(C(N)=O)CC1	211748077	KXKRKVJCPVXDQW-SECBINFHSA-N	242.323	-0.658	50	10	BBGE	
NC[C@H]1C[C@@H](CCCB(O)O)[C@@](N)(C(=O)O)C1	214911218	NNSZEIYJQFZSNN-QXFUBDJGSA-N	244.100	-0.994	50	10	BBGE	
CC(C)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223065881	DTPKVFXCLDMXPY-IUCAKERBSA-N	215.297	-0.136	50	10	BBGE	
OB(O)c1ncccc1-c1ccncn1	238639397	STNAEEJVNCHACZ-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
NNC(=O)Cc1nc2ccccc2c(=O)[nH]1	238660377	PNBCPCNWADAOKH-UHFFFAOYSA-N	218.216	-0.545	50	10	BBGE	
NCCCC(=O)Nc1cccc(B(O)O)c1	309334354	YIQUNFZGSFOUFX-UHFFFAOYSA-N	222.053	-0.956	50	10	BBGE	
Cc1ccn(Cc2cc(C(=O)NN)no2)c(=O)n1	310582185	YSLBCJNQBFKZOZ-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CC(=O)NNC(=O)CNC(C)(C)C(C)(C)O	381531954	ZMTYZMARLMTRMW-UHFFFAOYSA-N	231.296	-0.707	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CCN(C)C1	381667503	VVVQCJQTYGNJOM-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N(C)C)C1	382350045	PCDQUHSEVSSMBE-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C	385007407	MVAOEIJBGCRQAZ-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394368002	VMPCUEKMEYRNNT-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1ccc(C2(N3CCOCC3)CC2)nc1	396132529	LGMYYOMUSVHUAI-UHFFFAOYSA-N	248.091	-0.917	50	10	BBGE	
COC(=O)c1ccc(B(O)O)cc1CCC=O	396135744	GCDMYANNZLFPAM-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cnn[nH]2)c1	405062960	RMQFWPFPUSEPNO-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1cnc(C(=O)NNC(N)=S)cn1	606283263	SSLORRALXQRABU-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
NNC(=O)C(F)(F)COCC(F)F	685957425	XZARJOMHQXNKRX-UHFFFAOYSA-N	204.123	-0.107	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC(C)(C)[C@@H]1C	687867995	PSRWNWGHFCBRME-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@H]1O	689846773	WBMJESXSKOUZSK-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(N)C(=O)N1CCC(O)(C#N)CC1	692115439	YMNZBAKULGNRHT-UHFFFAOYSA-N	211.265	-0.399	50	10	BBGE	
NNC(=O)C(=O)NCc1cccc2c1OCC2	692948804	CQTJYAVUNHBKFF-UHFFFAOYSA-N	235.243	-0.772	50	10	BBGE	
O=C(NCB(O)O)c1cc(Cl)nnc1Cl	702032601	RTMGHZXZRUFRRG-UHFFFAOYSA-N	249.850	-0.475	50	10	BBGE	
CC(C)[C@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703424571	MMBCTECJNDQKMB-BIIVOSGPSA-N	240.259	-0.587	50	10	BBGE	
CNNC(=O)c1ccc(-c2nn[nH]n2)cc1	704654789	JAOSFMWEPXQVJT-UHFFFAOYSA-N	218.220	-0.269	50	10	BBGE	
O=C1OC(=O)[C@H]2CN(C(=O)C(F)(F)F)C[C@H]12	709983413	VWVGYIAZOGCAKH-IMJSIDKUSA-N	237.133	-0.293	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC[C@@H]1C	710915373	HPJJCRJGMMNOBM-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](Br)C(=O)NCC#CCO	717490981	ZYBUVXDQWLIKOW-ZCFIWIBFSA-N	220.066	-0.118	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1CO	725628182	LGPPKANRAXTVGM-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
Cc1cnc(C(=O)NCB(O)O)c(C)c1	725628198	NIESAZNJAMYPHZ-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C	843970142	BPBABVTTZXLGSP-CIUDSAMLSA-N	244.291	-0.280	50	10	BBGE	
Cc1nnc(NNC(=O)C2=COCC2)n1C	856048630	ITVSVNOIRYVFNZ-UHFFFAOYSA-N	223.236	-0.129	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)N1CCOCC1	1136452727	HQYGRLHYPBFWQQ-UHFFFAOYSA-N	237.259	-0.527	50	10	BBGE	
CN(Cc1cscc1B(O)O)[C@@H]1CCOC1	1231949716	QNOOWEXZYDKDFQ-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CCCCC(N)=O	1320623684	ZMIBFLDZFHIOPC-UHFFFAOYSA-N	244.295	-0.275	50	10	BBGE	
CO[C@H](C)C(=O)NCCSS(C)(=O)=O	1455115924	SVTFYFRGUXASRM-ZCFIWIBFSA-N	241.334	-0.170	50	10	BBGE	
CS(=O)(=O)CC[C@@H]1CC(=O)OC1=O	1536182040	VBBWSWWABVZZAG-RXMQYKEDSA-N	206.219	-0.489	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc[nH]1	1539096877	UUQYVZWZMCQMPL-RNFRBKRXSA-N	218.216	-0.065	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)c1cnsn1	1558282178	MVZVIEPQKCHGLR-BYPYZUCNSA-N	225.233	-0.541	50	10	BBGE	
NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1Br	1877334153	KRPMBDPVRYNELY-JKUQZMGJSA-N	237.097	-0.794	50	10	BBGE	
NC[C@@H]1C[C@@H]1NC(=O)C=CC(=O)Cl	1883626825	LQBKKDLSDVHMGF-WDSKDSINSA-N	202.641	-0.229	50	10	BBGE	
COC1CC(CO)(NC(=O)CCl)C1	1883772053	ZBIDHZMBRNMVBQ-UHFFFAOYSA-N	207.657	-0.119	50	10	BBGE	
C=C(Cl)CONC(=O)[C@H]1C[C@H]1B(O)O	1886305034	GJXLGTYHRKGMOX-NTSWFWBYSA-N	219.433	-0.350	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC([C@@H](O)CO)C1	1887182600	UPGXFWZYNUCGGB-CSMHCCOUSA-N	219.668	-0.575	50	10	BBGE	
CN(NC(=O)NC1CCC1)S(C)(=O)=O	1888571721	LTVLKZVSPLKWJF-UHFFFAOYSA-N	221.282	-0.356	50	10	BBGE	
C[C@@H](CN1CC[C@@H](B(O)O)C1)N(C)C	1891492423	OGRKYNFERPWLEI-DTWKUNHWSA-N	200.091	-0.515	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC(CO)CO	1893505574	XENWCYGCXXYCOZ-OWOJBTEDSA-N	221.640	-0.975	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@@H]2COC[C@@H]21	1897227097	OBSRUQFWYFNZIN-PPYPBTKYSA-N	245.662	-0.066	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)CCOCC(=O)NN	1897487505	VHTGUEVFJJVPAC-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1C[C@]2(CCN(CCC(=O)NN)C2)CO1	1899561166	DMAFYKWIANWOBW-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CC1=CCN(C(=O)c2cnsc2B(O)O)C1	1900466318	FAXVNORNJWWZPB-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C[C@H](N)CCOc1cc(B(O)O)c(F)cn1	1903025365	UZPVSKYCRPCLCE-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)CN1CCCC[C@H]1c1ncno1	1905172932	DZQKPGJLUVNMBJ-ZETCQYMHSA-N	225.252	-0.414	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@@H]21	1908327695	MXBLBKYVOMHTOW-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ncccc1B(O)O	1913617870	NMUICZVBAWPUKX-ZETCQYMHSA-N	222.053	-0.254	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CCOC2)C1	1915584099	VJBUOYRESWTCKU-VIFPVBQESA-N	227.308	-0.277	50	10	BBGE	
N#CC1=CCN([C@H]2CS(=O)(=O)C[C@H]2N)CC1	1917076255	NEEUJTXCZIXEJJ-ZJUUUORDSA-N	241.316	-0.734	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(F)C2)O1	1917252122	SATAGCXQMPLGLF-SFYZADRCSA-N	217.244	-0.822	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H]1[C@H](O)CO	1928570537	WSPMWCNNAWOCDD-XHNCKOQMSA-N	234.683	-0.829	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCC[C@H]1C	1929658939	GQBVRBRGKQLFPW-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CC(=O)N2)CC1	1929860853	ZUBBVOVRYVKBIB-MRVPVSSYSA-N	209.249	-0.775	50	10	BBGE	
CN(CCCC(=O)NN)Cc1csnn1	1930600270	CEEFBPZTOXEECX-UHFFFAOYSA-N	229.309	-0.260	50	10	BBGE	
COC[C@]1(O)CCCN(C(=O)NN)C1	1931664452	FSNKNOVOBVJGOG-QMMMGPOBSA-N	203.242	-0.957	50	10	BBGE	
Cc1cc(B(O)O)sc1CN(C)C(N)=O	1935214544	SVDKDLXLOINZOS-UHFFFAOYSA-N	228.082	-0.753	50	10	BBGE	
CC(C)C1(O)CN(CC(F)(F)C(=O)NN)C1	1935942737	VQIJBITWLZUHPI-UHFFFAOYSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc(C2CC2)n1	1936079931	HIADXTXGGUYQPQ-JGVFFNPUSA-N	221.264	-0.219	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCOCC(=O)NN)CO1	1936535479	SRAFYSVMQKTCTJ-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CN(C[C@@H]1COCCO1)CC(C)(C)C(=O)NN	1940286968	IJNHNEFXWJKOCI-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(CCOCC(=O)NN)C1=O	1941779810	IERRHWADPSKAJN-BDAKNGLRSA-N	243.307	-0.503	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CONC1=O	1954507995	UAHMCKRYLLWJIB-RFZPGFLSSA-N	206.629	-0.450	50	10	BBGE	
CC[C@H](COC)N(C)[C@@H](C)C(=O)NN	1954920417	NDHBAZZXKDXYSP-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
CN(C)NC(=O)NCCC(F)(F)C(=O)O	1959515050	NMHUPRGNYSWIMT-UHFFFAOYSA-N	225.195	-0.128	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1962372536	GGOPBPJTKJKUGF-ZVKZPEPKSA-N	233.695	-0.044	50	10	BBGE	
Cn1cc(S(=O)(=O)NCC#CCCl)nn1	1974778509	JLOZVOGPBAWVCQ-UHFFFAOYSA-N	248.695	-0.664	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1C[C@H](CCl)CO1	1975559316	GATOOKQPYBFSSY-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1976820621	MOUDQJUEPUPOFZ-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2COCC[C@@H]21	1980814060	ORALOAYFWLZUDN-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1C(=O)C(=O)NN	1980856846	WEZSMUOUSXGZPO-YUMQZZPRSA-N	229.280	-0.872	50	10	BBGE	
CCOc1c(OC)cc(C=O)cc1B(O)O	1981352125	WOCCCYUSVACKHM-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
Cc1ccnc(N2C[C@H](C)[C@@H]2C)c1B(O)O	1981415464	FBVMJIWITYQZMY-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
CCC[C@@H](C)Cn1cc(B(O)O)ccc1=O	1984100977	FNFHATHZQKPOBS-SECBINFHSA-N	223.081	-0.036	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]1C(C)(C)O	1989119591	UQZLWSRPDJKEJE-DJLDLDEBSA-N	229.324	-0.154	50	10	BBGE	
C=C(CN(CCOC)[C@@H](C)COC)B(O)O	1992159122	GILHGZCUFDLENZ-JTQLQIEISA-N	231.101	-0.462	50	10	BBGE	
N#CC1(O)CCN(c2cc(NN)cnn2)CC1	1996627810	ZZZHCRMKGQPOBN-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C[C@@H]1C[C@@H]1C(=O)NN	1997867034	YYRCVXJYWBFWAK-RCWTZXSCSA-N	238.335	-0.752	50	10	BBGE	
COC[C@@]1(C)COCCN1C[C@@H](C)C(=O)NN	2002849894	GGTLQPDUUAOONK-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C2CCOCC2)C1	2004403474	YMOWCADXDANXSU-SNVBAGLBSA-N	243.307	-0.896	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)C1CCCC1	2004912058	OAMIKAFEUCYOBR-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)nc1	2004918056	HAAPJLMYBNAPJZ-DQDDRIPDSA-N	230.076	-0.394	50	10	BBGE	
COCCN(c1ncccc1B(O)O)C1CC1	2004935830	QPILRLNIYSXJOS-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C2CC2)ncc1B(O)O	2004974996	SGKDTLNSBWOGBG-SNVBAGLBSA-N	233.080	-0.546	50	10	BBGE	
C[C@H](O)[C@H]1CN(CCCCC(=O)NN)CCO1	2005913932	VGQVYLJFTFZASN-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2CC[C@@H]2C1=O	2008871098	RTCYDSVZXNRBJM-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
N#CCN(CC#N)C[C@@H]1CC[C@H](C(=O)NN)C1	2010834594	FGODIFLBMSFUBQ-ZJUUUORDSA-N	235.291	-0.258	50	10	BBGE	
C=C[C@]1(O)CCN(CCC(F)(F)C(=O)NN)C1	2018852490	WACSRKZIWXQKNS-VIFPVBQESA-N	249.261	-0.376	50	10	BBGE	
COc1cccc(C(=O)NCC=CB(O)O)n1	2020062204	OUHYBGZEOXNRDB-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
CC1(C)[C@@H]2CC(C(=O)NCC#CB(O)O)C[C@H]21	2021157225	JGJOFDSZHQZLRA-NXEZZACHSA-N	235.092	-0.200	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2026818691	JEPDAVOWNQWDKW-VFCFLDTKSA-N	232.048	-0.810	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cn2)n[nH]1	2040768807	KGYZTQHNRJIFCK-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1nc(N(C)Cc2cnco2)ncc1B(O)O	2052550957	ZFWRWYHJXRYSIQ-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)cc1OC	2060052428	CCJNIRJAQZYIDJ-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CCc1c(OC)cc(B(O)O)cc1OC	2060054663	BYKGXXDWROTWMO-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
CCc1cc(B(O)O)c(C=O)cc1OC	2060167149	IPGWTTGPAWGJSH-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3C[C@H](C2)O3)c1	2077857076	ZSPFJUPWLXNVCU-PHIMTYICSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cc(F)cc(CN2O[C@H]3C=C[C@H]2C3)c1	2078465403	PCEGKOONYOJCKL-RYUDHWBXSA-N	249.050	-0.050	50	10	BBGE	
O=C(CCl)NC(=O)N=c1nc[nH]s1	2209394513	IARBWWTXDMNBNS-UHFFFAOYSA-N	220.641	-0.153	50	10	BBGE	
C[C@@]1(CO)CCN(CC2(C(=O)NN)CCC2)C1	2216533192	YCJCHAPCLUKZAT-LLVKDONJSA-N	241.335	-0.149	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](O)C2)cc1B(O)O	2217181884	WPHLMTGTEZXQMQ-SECBINFHSA-N	236.080	-0.969	50	10	BBGE	
OB(O)c1ccc(NC[C@H](O)C2CCC2)nc1	2217203747	ZWVKJGJGMPSMAO-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ccno1	2222244466	SQCIQLZUAFFICW-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ccn(C)n1	2223635323	VTZMSUVVVSFHIW-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
C#C[C@]1(Oc2ncccc2B(O)O)CCCOC1	2223645414	WMJGTZNYOQAUDL-LBPRGKRZSA-N	247.059	-0.677	50	10	BBGE	
CN(CCN1CCCC1)c1cc(B(O)O)ccn1	2223676081	VZMQHJVYRBLXOL-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
CN(CC(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2241495712	LUSNMAVZDROFOL-WHFBIAKZSA-N	206.985	-0.427	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](NC(=O)C#CB(O)O)C1	2243361695	FVEOKOIEYVLOSH-KYZUINATSA-N	223.081	-0.057	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)sn2)[C@@H]1C	2243378115	MUEVWLHJBFQWJT-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
CC[C@@H](CNC(=O)C1CC(B(O)O)C1)OC	2243396257	JUOPYKUOSSYDHQ-HACHORDNSA-N	229.085	-0.219	50	10	BBGE	
O=C(N[C@H](CF)C(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243396714	PUMOJEQBHRMOQZ-VAYJURFESA-N	242.965	-0.134	50	10	BBGE	
CC[C@@H](CO)N(C)C(=O)C1(B(O)O)CCC1	2243397802	JLJXLIZXUKUGKI-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)s1	2243407506	UCTBXCRTZVNTAE-RNFRBKRXSA-N	239.105	-0.044	50	10	BBGE	
C[C@H]1CN(C(=O)c2nscc2B(O)O)[C@H]1C	2243409867	QERHHZIYUNCEBV-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
C[C@H](CCO)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243414430	ARHZBDSLKDQWNN-CIUDSAMLSA-N	229.085	-0.626	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)O	2243414966	LSZKNBIXAKPGJI-HXFLIBJXSA-N	229.085	-0.485	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cc(B(O)O)cs1	2243419905	IULWPOVWJKWPLZ-BQBZGAKWSA-N	237.089	-0.434	50	10	BBGE	
N#Cc1c(O)cc(B(O)O)cc1C(F)(F)F	2243993169	KLEXBCBFNJPTIP-UHFFFAOYSA-N	230.938	-0.038	50	10	BBGE	
C[C@H](OCCN1CCOC[C@@H]1C)C(=O)NN	2244038580	YAMZPKANDCIDGL-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
Cc1cc(N(C)[C@@H](C)CF)ncc1B(O)O	2244150113	XHOLSAPSDKQANR-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
CCN(Cc1ccccn1)C(=O)C#CB(O)O	2247739909	CQTKUOVMGUASQG-UHFFFAOYSA-N	232.048	-0.555	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247750829	OPGDSJAQVXCFJC-BDAKNGLRSA-N	240.112	-0.230	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2247761451	VJSQYEURXWZEGG-CBAPKCEASA-N	236.080	-0.674	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(n2cccn2)C1	2247810475	XSRMUNADZFJROH-IUCAKERBSA-N	235.052	-0.871	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cn(C)cn1	2247852715	YPOUKIIPZKCAPK-RNJXMRFFSA-N	237.068	-0.540	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N(O)C(C)C	2247858852	ILIZWSRFHLJASA-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CO1)C1(B(O)O)CC1	2247873185	GJFRUUFVKNPULX-QMMMGPOBSA-N	239.080	-0.321	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1occc1B(O)O	2247873506	CITFUTPJICEGLA-IONNQARKSA-N	237.064	-0.266	50	10	BBGE	
C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247897928	YNLLJQDKLAPWMP-HLTSFMKQSA-N	237.068	-0.749	50	10	BBGE	
C[C@H](C#N)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247900670	YTPXUNMFEHJLBZ-QNSHHTMESA-N	236.080	0.000	50	10	BBGE	
CO[C@H]1C=C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247908920	BUXYXSJXWWNDIM-QLEHZGMVSA-N	239.080	-0.301	50	10	BBGE	
O=C(O)[C@H]1C[C@H](F)CN1C(=O)C1(B(O)O)CC1	2248591830	UGJWRFFETPHKIV-NTSWFWBYSA-N	245.015	-0.983	50	10	BBGE	
CCN(C)C(=O)CCN1CCC(B(O)O)CC1	2249359717	YOJFKOYCKNGUHA-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
CCC1(Oc2ncc(F)cc2B(O)O)COC1	2250790788	PGSYNHOKGFUPJK-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2255444173	IRABNVJYQWWWHL-JTQLQIEISA-N	249.075	-0.004	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccncc1B(O)O	2255457422	CZFPMNSRJBFFTB-VROVMSAKSA-N	246.075	-0.710	50	10	BBGE	
Cc1nn(C)c(C)c1CN(C)C(=O)C#CB(O)O	2255459960	OEQAHYDOHOHSTA-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1occc1B(O)O	2255484118	IHSTVBVCFVLINK-PRHODGIISA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1ncccc1B(O)O	2255690341	ZISKSHWAASYTEX-KHQFGBGNSA-N	248.091	-0.464	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298468129	SQUOAARIZDIAJF-TURQNECASA-N	241.096	-0.362	50	10	BBGE	
C[C@@H]1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	2300373464	RNPHNJNLVCLHIH-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@@H](F)C1=O	2301870568	BVJSNKCBKUPCQY-SSDOTTSWSA-N	241.222	-0.047	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C2=COCCO2)C1	2303114022	IJYFAPWSDPLSFG-SNVBAGLBSA-N	241.052	-0.660	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1ccncc1B(O)O	2307405004	CRSVWUHONMBVQK-DTORHVGOSA-N	238.071	-0.054	50	10	BBGE	
O=C(CCCl)N[C@@H]1CCS(=O)(=O)C1	19263764	SENJXVGSFULLOY-ZCFIWIBFSA-N	225.697	-0.081	50	10	BBGE	
NNC(=O)CCCCCN1CCCS1(=O)=O	70596920	CTBLLLMYIRXPRQ-UHFFFAOYSA-N	249.336	-0.428	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@H]1CO	82470388	WSNWTVMLZDEGCL-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
O=S1(=O)CCN(CCOCCCl)CC1	82513841	LAQVEVOMCDYLKU-UHFFFAOYSA-N	241.740	-0.028	50	10	BBGE	
C[C@H](CN)CSC[C@@H]1CC[C@H](C(=O)NN)O1	85320088	VRMFJSNEDHQVLY-HRDYMLBCSA-N	247.364	-0.148	50	10	BBGE	
O=C(CCl)NC[C@H]1CN2CCN1CC2	90698451	YIDBTCMETDYESJ-QMMMGPOBSA-N	217.700	-0.659	50	10	BBGE	
Cc1oc(CN2CC[C@H](O)C2)cc1C(=O)NN	110580469	OEGQECDYRCPCPO-QMMMGPOBSA-N	239.275	-0.242	50	10	BBGE	
NNC(=O)CCCn1cc([N+](=O)[O-])ccc1=O	110598765	FSOSYHRDDVDNAL-UHFFFAOYSA-N	240.219	-0.473	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccc(C(=O)NN)o2)n1	110603576	XHPSGINAWCBFGR-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCO[C@@H]1C)C(=O)NN	134790574	DCANXVVLSFBJBD-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
Cn1cc/c(=N/NC(N)=O)n(C)c1=S	144253522	DHNPNBHHORRBGT-UITAMQMPSA-N	213.266	-0.423	50	10	BBGE	
OB(O)c1ccc(Cn2ccnc2)c(F)c1	203176848	YEYQOXCMAQZXSV-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\N(C)CCO	216554372	FGFKSKPYYQJQIS-HJWRWDBZSA-N	227.264	-0.919	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H]1CO	222943706	SQLZTUVRBKQWIY-YUMQZZPRSA-N	204.657	-0.190	50	10	BBGE	
C[C@H]1OCC[C@]1(O)CNC(=O)CCl	227128776	WSKSVSQNGLCZQA-SVRRBLITSA-N	207.657	-0.119	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCC[C@@H]1CO	232420814	GTGYJGDTCAYQBR-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
COC(=O)C[C@@](O)(CCl)C(=O)OC	238351202	UGVGANNPGBIASH-SSDOTTSWSA-N	210.613	-0.308	50	10	BBGE	
O=C(OC[C@@H](O)CCl)[C@H](O)CCl	238673589	HAWXESYYMCLVEA-CRCLSJGQSA-N	217.048	-0.271	50	10	BBGE	
NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1	255971728	FJVAAURIDNIYAE-UHFFFAOYSA-N	242.191	-0.105	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H](CO)O1	299968774	RPJYCJNYPWSQBH-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CC(C)N(CCOCCO)[C@@H](C)C(=O)NN	304301292	ISIKNAIWQCTCEB-VIFPVBQESA-N	233.312	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C1(C)C	308872874	ZSQQXARLIMKVKW-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NCCN(C)C)[nH]1	381084284	SGTQMILKAGHLPF-ZCFIWIBFSA-N	244.730	-0.021	50	10	BBGE	
COCCNCC(=O)NNc1ccccn1	381434396	CHUQWNQAUVMYDU-UHFFFAOYSA-N	224.264	-0.239	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]2[C@H]1B(O)O	383863827	OLRHHDWLAYQDLH-CIQUZCHMSA-N	240.112	-0.781	50	10	BBGE	
O=C/C(C(=O)O)=C1\C=CN[C@@H](C(=O)O)C1	383983647	ZAFDJTOJJDHSHQ-KXTMECRCSA-N	211.173	-0.473	50	10	BBGE	
O=C(CN1CCNCC1)NCC(Cl)Cl	389253207	FFSJLJWWRUDHIT-UHFFFAOYSA-N	240.134	-0.189	50	10	BBGE	
COC(=O)c1nc2c(B(O)O)cccc2[nH]1	396064606	YRZQVKGUPSBGSV-UHFFFAOYSA-N	219.993	-0.971	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H](C)S(N)(=O)=O	398246659	SROYJTDHLHYGIR-UHNVWZDZSA-N	228.701	-0.593	50	10	BBGE	
NNC(=O)N1CCC(F)(F)[C@@H](CO)C1	403213359	FVXLVRDCWTWQBK-RXMQYKEDSA-N	209.196	-0.481	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@@H]1CCOC1	404908608	GUTRLDKYSCUPDO-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	404963409	AIHSWOJGLVJYIO-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
CCC(=O)Nc1ccc(B(O)O)c(F)c1	405002055	KUWPTHPIQNGPSB-UHFFFAOYSA-N	211.001	-0.146	50	10	BBGE	
COCC(=O)Nc1cc(B(O)O)ccc1Cl	405040360	VPVMCYDVYISABO-UHFFFAOYSA-N	243.455	-0.395	50	10	BBGE	
CC1(C)COC[C@@H]1NCc1ccccc1B(O)O	585044442	ITXVHOBRAAGJDN-LBPRGKRZSA-N	249.119	-0.119	50	10	BBGE	
N#CC1(O)CCN(Cc2nn[nH]n2)CC1	687805419	RFWLBODHPJIQMU-UHFFFAOYSA-N	208.225	-0.950	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@@H](F)C2)O1	689085916	AOYGFCBLPQMOCX-BBBLOLIVSA-N	245.298	-0.042	50	10	BBGE	
COC(=O)N(C)CCN(C)C[C@H](C)C(=O)NN	690813977	BFBKBDMPJHWNBK-QMMMGPOBSA-N	246.311	-0.758	50	10	BBGE	
CO[C@@H]1CCC[C@H]1n1nc(C)c(B(O)O)c1C	694306886	DUTRJUZSQHIUBY-NXEZZACHSA-N	238.096	-0.080	50	10	BBGE	
C[C@H]([C@H]1CNCCO1)N1CCC(O)(C#N)CC1	699650147	WECGVDFJSXOYKT-GHMZBOCLSA-N	239.319	-0.286	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1C[C@@H](C(N)=O)C1	703504626	CEZTYYVQTCXKMT-OCAPTIKFSA-N	242.323	-0.802	50	10	BBGE	
O=C(COC1CCC1)Nc1ccc(B(O)O)cc1	716863090	IJELKJWLYFPCHG-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2OCC[C@@H]2C1	724822115	LIZCHFYCZHKNNE-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1CC(Cn2cc(B(O)O)cn2)C[C@@H](C)O1	725126881	VQJDRQVZUARSKS-RKDXNWHRSA-N	238.096	-0.234	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)[C@H]1COCCO1	755891640	JCCJCEMXVSZHMG-DTWKUNHWSA-N	230.264	-0.214	50	10	BBGE	
CSCC(=O)NNc1ccc(C(N)=O)nn1	757393205	VHNFKLQRRXFBOL-UHFFFAOYSA-N	241.276	-0.618	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(O)(C#N)CC1	821980522	HTUWBHJMPURDKJ-VIFPVBQESA-N	240.307	-0.505	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CC(=O)N1	862500431	QXPBNJFMDFIUAW-QMMMGPOBSA-N	220.232	-0.856	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)C1CCC1	900658125	GNZATFRTGNEWPS-BYDTYLDUSA-N	212.249	-0.129	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H]1CSC(=O)N1	910171035	QOUJFQNFNJQRPG-PHDIDXHHSA-N	233.293	-0.845	50	10	BBGE	
Cc1ncoc1C(=O)NNc1nc[nH]n1	1457835217	HNJQXSQSXWHULY-UHFFFAOYSA-N	208.181	-0.142	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(N)=O)o1	1556926579	VYMSVQCPZDAFAR-ZCFIWIBFSA-N	241.247	-0.664	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)c1ccsn1	1565634829	KBLFFONRAPWPPE-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
O=C(NC/C=C/Cl)NNC(=O)c1ncon1	1676594198	HTGIINCBYDUZJD-OWOJBTEDSA-N	245.626	-0.234	50	10	BBGE	
NCc1nnnn1C[C@H]1C[C@H]1Br	1881372977	ITUQAMUAMTZQRG-RFZPGFLSSA-N	232.085	-0.085	50	10	BBGE	
C[C@H](SC[C@H]1CCNC1)C(=O)NN	1883297454	GWQWYTOAKARTDC-BQBZGAKWSA-N	203.311	-0.293	50	10	BBGE	
O[C@@H]1C[C@@H](O)CN(CCOCCCl)C1	1886143283	PULJUBOZNGABIY-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
CN(C)CC1(O)CN(C[C@H](Cl)C#N)C1	1892488653	MMQWWBWBBPGFJV-MRVPVSSYSA-N	217.700	-0.274	50	10	BBGE	
CC1(C)OC[C@H](NS(=O)(=O)CCl)[C@H]1O	1897073676	UMBSYSICRDOLCK-NTSWFWBYSA-N	243.712	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN(C)C(C)=O	1901223441	CRCSXRZVOYBAIW-VIFPVBQESA-N	230.312	-0.835	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H]1CC[C@@H]2N)S(C)(=O)=O	1901344752	VWXOJGLRTSWCJU-BKPPORCPSA-N	247.320	-0.964	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@@H](N)C1(C)C)S(C)(=O)=O	1901377718	RVLUVSWVAFFEQN-RNFRBKRXSA-N	249.336	-0.718	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NN(C)S(C)(=O)=O)NC1	1901377925	UWHMRUFKJOZDLO-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@@]1(B(O)O)CCN(S(=O)(=O)CCC#N)C1	1902511544	IIPHUMPNURPZNA-MRVPVSSYSA-N	246.097	-0.831	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ccon2)C1	1902523367	ZGUIEJBZDOXJPK-VIFPVBQESA-N	224.025	-0.246	50	10	BBGE	
CN1CC[C@H](N2CC[C@](C)(B(O)O)C2)C1=O	1902540123	BNHMAFSCNNNYTO-WPRPVWTQSA-N	226.085	-0.844	50	10	BBGE	
CC[C@@](C)(CN1CCC(O)CC1)C(=O)NN	1902709346	MXGCZLDACHXDTM-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
COc1ccc(CN(C)CC(=O)NN)nc1	1905041480	UKMBLDXYAXVPHT-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C)S1(=O)=O)C(=O)NN	1912284205	GRYUTSBGCUBNTA-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CC[S@](C)(=O)=NC[C@H]1CC[C@H](C(=O)NN)O1	1913887785	HKCYWGKEOGOOLW-STPJVMRTSA-N	249.336	-0.358	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1927913098	FNGHTHCCAMMSBC-HLTSFMKQSA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]21	1928993725	HEUURLCNTMAYQW-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
CC[C@H](OC[C@H]1COCCO1)C(=O)NN	1933321036	TYWPTFNWLICVOD-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
NC(=O)NN=C1CCCO[C@@]12CCOC2	1934134547	XMLLVEYHWCKAFD-SECBINFHSA-N	213.237	-0.020	50	10	BBGE	
CCn1cc(OC[C@H]2C[C@@H]2C(=O)NN)cn1	1936095155	UMVQNFFNNRSIBY-APPZFPTMSA-N	224.264	-0.092	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C[C@H]1O	1939034655	XUXNOBUVKRFNPX-ZYUZMQFOSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1939641254	MNMKSISFCOCGLF-AATLWQCWSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C(CO)[C@H]2C1	1943070050	HMGJJNFOUYYRGG-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
CCC[C@]1(O)CCN([C@@H](COC)C(=O)NN)C1	1945564526	OTPROQPPAOOALV-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CN(Cc1ncccn1)CC1(C(=O)NN)CC1	1945884789	WMUCSYNAYCXNIS-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@]12CC[C@H]1C2	1951286189	ZEXCKNUBXORFIR-CPCISQLKSA-N	232.048	-0.500	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@H](N)[C@@H](O)C#N	1953063906	NTVUGZIXEAFQBD-NKWVEPMBSA-N	224.220	-0.909	50	10	BBGE	
C[S@@](=N)(=O)c1ccc(B(O)O)cc1C(=O)O	1953082638	AMLMUSVCYINTKS-MRXNPFEDSA-N	243.049	-0.900	50	10	BBGE	
CNC[C@@H](O)CN(C)C[C@@H](Cl)C#N	1954216697	ZGXQDXZMHMCYTH-JGVFFNPUSA-N	205.689	-0.371	50	10	BBGE	
C#C[C@]1(O)CCN(C[C@@H](O)CCl)C1	1954824279	WAVQVCLHVSIBSR-IUCAKERBSA-N	203.669	-0.344	50	10	BBGE	
O=C1C[C@]2(CCOC2)N1C[C@@H](O)CCl	1955268524	DYZOAOKCIPIFNB-CBAPKCEASA-N	219.668	-0.023	50	10	BBGE	
OC[C@]1(O)CCCN(C[C@H](O)CCl)C1	1956260848	RLYQULPQGRFGMT-BDAKNGLRSA-N	223.700	-0.595	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC[C@@H](C)S(N)(=O)=O	1957318206	MBJPSGIBOPKTKS-PHDIDXHHSA-N	242.728	-0.203	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1957559031	GRPYNJUUXKSTJR-ZLFMKPOPSA-N	233.695	-0.140	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C(F)(F)C12CC2	1960447739	FKRNAGGGQJXIHC-LURJTMIESA-N	219.235	-0.047	50	10	BBGE	
CON(C)Cc1c(C(=O)NN)cnn1C	1961176880	DGJXYRYJMRCSCO-UHFFFAOYSA-N	213.241	-0.983	50	10	BBGE	
N#CCCN(CC(=O)NN)CC(F)(F)F	1961360553	TVAVMWVFZDMJNJ-UHFFFAOYSA-N	224.186	-0.246	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCC(F)(F)[C@H]21	1961392786	ZMZGLPCZNLPLPZ-VPENINKCSA-N	219.191	-0.864	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	1961396841	OXQCZWLAUYHQHD-RRKCRQDMSA-N	220.219	-0.109	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CCO2)C1	1961521162	SOURFURBKCPPPP-YUMQZZPRSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@H]2C[C@@H]2C(=O)NN)CO1	1961629278	OSCOESKXVNHYNT-HXFLIBJXSA-N	214.265	-0.194	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]2C1	1961687757	OBIJNOAFNZNDNS-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
C[C@H]1C[C@H]1Oc1ncc(B(O)O)cc1F	1961694351	NDHUAFMZRIDFPO-YLWLKBPMSA-N	211.001	-0.312	50	10	BBGE	
Cc1ncncc1CN(C)CC(=O)NN	1975169183	RRWFHQONPCLQAG-UHFFFAOYSA-N	209.253	-0.793	50	10	BBGE	
CN(Cc1ncon1)C[C@@H]1C[C@@H]1C(=O)NN	1976756695	XGOQIQUWAZFLBO-BQBZGAKWSA-N	225.252	-0.873	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@@H]1C	1979615441	GVGUNUJYVQSLNU-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2OCCC[C@H]2C1	1980817371	ULDSANRYLWWPMU-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCOC2)c(Cl)c1	1981419946	CYRRXYHPDIMDKS-ZETCQYMHSA-N	243.455	-0.418	50	10	BBGE	
C[C@H](CC1CC1)Oc1ncc(B(O)O)cn1	1981421594	BRFRSDVKWQYIPA-SSDOTTSWSA-N	222.053	-0.276	50	10	BBGE	
C[C@H]1CC[C@H](Oc2ncncc2B(O)O)C1	1981423979	MDOLEHCSHJSVPL-YUMQZZPRSA-N	222.053	-0.276	50	10	BBGE	
COC[C@H]1CC[C@H](NC(=O)C(=O)NN)CC1	1982433622	WQUVRMLRBPWWBC-ZKCHVHJHSA-N	229.280	-0.702	50	10	BBGE	
C[C@H]1C[C@H]2CN(CCC(=O)NN)CCN2C1	1985229576	UYFLVDXYYZBQJB-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCS2(=O)=O)C1	1985356689	HRCHCZAYEMVCTA-HTQZYQBOSA-N	247.320	-0.962	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC(CF)CF)O1	1985997641	QBQYRKFXYRGYST-HTRCEHHLSA-N	238.234	-0.152	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)CCN1CCO	1991682632	LIJZTEQHLMCDMO-SFYZADRCSA-N	246.694	-0.723	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](C(F)(F)CO)C1	1991991094	BLLDVEDABPCQDF-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C=C(CN1CC2(CCN(C)CC2)C1)B(O)O	1992144282	AFPALFBAYANOKS-UHFFFAOYSA-N	224.113	-0.418	50	10	BBGE	
C[C@]12C[C@](C(=O)NCC=CB(O)O)(CO1)C2	1993874570	NTZYOPSUHIBYDH-MGCOHNPYSA-N	225.053	-0.760	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCCOCC2)n1	1995179629	HZJUWOLHTULSMM-SECBINFHSA-N	224.069	-0.620	50	10	BBGE	
COCCOC[C@H]1CCN([C@H](C)C(=O)NN)C1	1996914462	NTSDEASJHJBZEH-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cn(C)cn1	1997726376	JTJOZHNBPZMPBQ-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000814839	PMZYRBBXWAJWKN-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)[C@@H](C)C1CC1	2004913774	ILKGXSOTNIVWMY-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@@H](F)C1	2008845147	XIIPJHMSYSQISB-RKDXNWHRSA-N	239.055	-0.334	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@]2(CCCOC2)C1	2009135636	DCCLZHZESAAOSJ-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC2(COC2)C1	2011121807	ZQDNNLXDVVKRCT-WPRPVWTQSA-N	239.319	-0.277	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC12CC2	2014771343	GXVSTGAMEIIJME-UWVGGRQHSA-N	238.335	-0.608	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC23CC(F)(F)C3)c1	2015509842	QYUAXQCTLVFZSY-SSDOTTSWSA-N	242.034	-0.002	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC1CC1)C1COC1	2018185144	MZGMDZJGFCNAHS-SNVBAGLBSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CC2(COC2)C1	2019210914	OZFGVQYRCRCYMN-UHFFFAOYSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OCC[C@H]1C	2019219487	NNJBEAGBZQXAKS-BDAKNGLRSA-N	243.307	-0.347	50	10	BBGE	
CC(C)CN(C(=O)C(=O)NN)[C@H]1CCCOC1	2020541535	OYRRBNFMNLAHFX-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
C=C(CN(C)[C@H]1CCN2CCC[C@H]1C2)B(O)O	2021158404	BNQQMTLAJNECBX-RYUDHWBXSA-N	238.140	-0.029	50	10	BBGE	
NNC(=O)[C@]12CO[C@](Cn3cc(F)cn3)(C1)C2	2023837220	IJMKUSAIMYMWBL-MGCOHNPYSA-N	240.238	-0.439	50	10	BBGE	
C[C@H](CN1[C@@H](CO)CCC12CCC2)C(=O)NN	2025476634	SXQJSKCWAVQTSB-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2ncnc(O)c2C1	2025567099	FQMSBXDIDIBAER-MRVPVSSYSA-N	237.263	-0.734	50	10	BBGE	
Cc1cc(C)n(CCCn2ccc(B(O)O)n2)n1	2050380826	JLKVHPWJPRTLOX-UHFFFAOYSA-N	248.095	-0.533	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCCCC[C@H]21	2052468390	CFQHMVCPTNGDPA-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
CCCOc1cnn(-c2ncccc2B(O)O)c1	2052601544	ATYFARNOZPLJHQ-UHFFFAOYSA-N	247.063	-0.264	50	10	BBGE	
Cn1ccn(Cc2ccc(C(=O)NN)nc2)c1=O	2056638522	YEUHXTNJSFZRIG-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1Cl	2060016747	GCWCXMFLPLDRGO-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1Cc2ccccc2O1	2076082391	TWNPZSPOIJEGOX-NSHDSACASA-N	247.059	-0.326	50	10	BBGE	
COc1cc(C)ncc1C(=O)NCC#CB(O)O	2077415456	RZLWSFPZUGPZNP-UHFFFAOYSA-N	248.047	-0.856	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CC1(C(=O)NN)CCC1	2212265580	ICGPVNZCRITKKJ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
COCCN(C)c1cc(B(O)O)c(C)cn1	2212605448	FEOQVJZKBRRBSJ-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1ccc([N+](=O)[O-])n1	2215770166	AIBHCFHETYMEPB-NKWVEPMBSA-N	239.235	-0.193	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H](CCO)C1	2215774831	YHOOEJJLTNYIAG-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CN(CC(C)(C)N)c1nccc(B(O)O)c1F	2217183445	LJOUYDXHUDBAFJ-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
Cc1cnc(N2CCO[C@@H]3C[C@H]32)cc1B(O)O	2217184859	RPQAYCAJCHJRNL-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCCN2)c1	2217194383	VLPTZEWLHWBTQI-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CN1CCC[C@H]1CNc1ncccc1B(O)O	2217205250	WNLUNBMBQLJTFY-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
CC(C)C(C)(C)Cn1cc(B(O)O)cnc1=O	2217411688	WYGQWBJJEAOVIA-UHFFFAOYSA-N	238.096	-0.395	50	10	BBGE	
Cc1nc(N(C)CC[C@H]2C[C@@H]2C)ncc1B(O)O	2220936043	JNLRQFHSEQVJTG-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
CCCn1ccc(=Nc2ccc(B(O)O)cn2)[nH]1	2223628130	OZEVQHLSZWBIMY-UHFFFAOYSA-N	246.079	-0.467	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1c1cc(B(O)O)ccn1	2223632355	IQPDQHWXHCTIOI-ZJUUUORDSA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC23CCNCC3)nc1	2223633559	YANPYBIOQMZNQT-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
CN1CCCC[C@H]1CNc1ncccc1B(O)O	2223668605	YXHDZTUEQRLDFT-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1c1ncccc1B(O)O	2223669780	OJLBHXWDYCHCMY-YWVKMMECSA-N	249.123	-0.677	50	10	BBGE	
CCc1c(Nc2ncc(B(O)O)cn2)cnn1C	2223673950	IKCJEYBJWVYTQY-UHFFFAOYSA-N	247.067	-0.804	50	10	BBGE	
O=C=NS(=O)(=O)C1CC2(C1)OCCO2	2242448439	GFMXTJAUJHXOHI-UHFFFAOYSA-N	219.218	-0.443	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cscc1B(O)O	2243347195	JDCSKMFPSVNZTP-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2243357649	ZLWYUEZBMLZFJV-SSDOTTSWSA-N	224.069	-0.435	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccoc2B(O)O)[C@@H]1C	2243361878	IQCHXSTXPNGQSM-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243373203	NRAKHPHHGCSUBL-KZVJFYERSA-N	227.069	-0.731	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243390998	FCYFCRZUXUNRRO-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
Cn1cc(NC(=O)C2CC(B(O)O)C2)cn1	2243392982	YYSFUZOBESFXGA-UHFFFAOYSA-N	223.041	-0.388	50	10	BBGE	
Nc1cc(NC(=O)C#CB(O)O)ccc1F	2243398644	GHQPWDLHJMXJSP-UHFFFAOYSA-N	221.984	-0.638	50	10	BBGE	
O=C(NCC1=CCCOC1)C1(B(O)O)CC1	2243410373	AIEYSWWBLVUOHH-UHFFFAOYSA-N	225.053	-0.544	50	10	BBGE	
CC(C)N1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414951	LFSAQYPQNMFEIM-IUCAKERBSA-N	226.085	-0.942	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243754422	DBMDWCWVNYVPSK-VQVTYTSYSA-N	229.041	-0.829	50	10	BBGE	
NC[C@@H](CO)C(=O)NN(C1CCC1)C1CCC1	2247570905	DUPQJXCGMKECJQ-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1ccncc1B(O)O	2247723313	SKEVKKOEYUAEHM-HTQZYQBOSA-N	234.064	-0.853	50	10	BBGE	
C#CCOCCN(C)C(=O)C1(B(O)O)CCC1	2247733093	MDKXKXOHYKUSAX-UHFFFAOYSA-N	239.080	-0.508	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccoc1B(O)O)C(C)C	2247740234	IACZETLMPQEEAP-SECBINFHSA-N	235.048	-0.653	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2247754816	HSENASQXHGKAPZ-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
C[C@H]1CNC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247756186	MOMWAELWPBSKKU-IUCAKERBSA-N	240.112	-0.645	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2247785477	LEMKKTGFNOIHDY-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H](C)CF)c(B(O)O)c1	2247787096	KUBMYQGXPPYWGI-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
CN(C)CCCONC(=O)C1CC(B(O)O)C1	2247796620	BFYZLJHOIPQOGF-UHFFFAOYSA-N	244.100	-0.761	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)[C@@H]1C1CC1	2247800268	NHLFYUUSZKMZPA-RGOKHQFPSA-N	239.080	-0.779	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247803693	CQZOFMYGGDVBNT-JGVFFNPUSA-N	237.068	-0.494	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCNC1	2247804046	DUZPOPKREKGMKP-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)C1CC(B(O)O)C1	2247805500	KMEGDOKNSKDUGU-UHFFFAOYSA-N	237.068	-0.415	50	10	BBGE	
CN(CCN1CCCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247806430	NCVGDCCSKZBALW-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247807719	RSZHGBVFKBNKHS-HTQZYQBOSA-N	235.052	-0.736	50	10	BBGE	
O=C(NCCCOC1CC1)C1CC(B(O)O)C1	2247809120	NZXZAFRTRRWOAE-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)o1	2247850464	OSECKVKYDGOVOJ-SFYZADRCSA-N	235.048	-0.512	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC=CC1	2247872925	ASZSDYKHFNEVGV-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)CCCO1	2247895806	BQWVNMKJHXIODY-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)C[C@H](NC(=O)C1(B(O)O)CC1)C1CC1	2248578590	NPWSZGWZLJTERM-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C(=O)O)C1CC(B(O)O)C1	2248590008	XWXCTYYYBVDDFB-PQFASMLDSA-N	241.052	-0.924	50	10	BBGE	
OC[C@@H]1CO[C@H](CN2CCC(B(O)O)CC2)C1	2249343596	RGXBRMJLXGXWLH-KOLCDFICSA-N	243.112	-0.677	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)co1)C(C)C	2249417200	BYCLIGDCIHUXEQ-SECBINFHSA-N	235.048	-0.653	50	10	BBGE	
CNc1ccccc1C(=O)NCC#CB(O)O	2249919182	AOLAHAHMUIQSIV-UHFFFAOYSA-N	232.048	-0.527	50	10	BBGE	
OB(O)c1cnccc1OC1(C2CC2)COC1	2250765192	PODQLAJVAGYZSS-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2251031822	YEWUXASDFURURV-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cccnc1OC[C@]12C[C@H](CO1)C2	2251182117	RPWIWOILVSECGP-DKTWLAJQSA-N	235.048	-0.681	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CC23CC3)n1	2255489943	AQJOABLQPWXJAW-SECBINFHSA-N	246.075	-0.648	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1occc1B(O)O	2255490127	DPQHOSQWVHJQMC-QMMMGPOBSA-N	249.075	-0.169	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1F	2255501160	ATOIAWRYWMJRKN-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2CCC[C@@H]21	2255508112	IOBXAYYZGAEYSE-SCZZXKLOSA-N	248.091	-0.671	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(C)cc1B(O)O	2255513394	PZXWKMIDSAXQAF-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255519975	DRIKKGYMPWGLRW-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1Cc2cncnc2C1	2255562970	AUWXBMNOIRBQBZ-XWEPSHTISA-N	247.063	-0.428	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2C[C@H]21	2255718679	DGQNABBULLDHKS-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1C(=O)C[C@H]1C	2255719351	FNBLVVKWOZUGJR-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1cncc(B(O)O)c1	2255736408	MVVAUPAIMDZJTJ-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1occc1B(O)O)N1O[C@H]2C=C[C@H]1CC2	2255740671	FAQKJXCJEJPJFF-YUMQZZPRSA-N	249.031	-0.566	50	10	BBGE	
CC1=CCN(C(=O)c2cccc(B(O)O)c2F)C1	2255748024	VRRYPGPCOOCCJC-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(NCc1cnn2c1CCC2)[C@@H]1C[C@@H]1B(O)O	2255774584	RDMPZXGHMBVZAY-BDAKNGLRSA-N	249.079	-0.692	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@@H]2CO1)[C@H]1C[C@H]1B(O)O	2298375526	NLTYMXWYXJUOFE-FHNUBNKASA-N	239.080	-0.610	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1C[C@@H]1B(O)O	2298375763	YQSVKWWNHCLFHF-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCO[C@@H]2C[C@@H]21	2300369530	KYVWIGCBIQNLDR-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CO)CNc1ccc(C=O)c(B(O)O)c1	2301421462	UUOQBYBKZLIIAA-QMMMGPOBSA-N	237.064	-0.781	50	10	BBGE	
C[C@]1(C(=O)O)C[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	2303112053	PAFNSZBQKJLZGC-PJKMHFRUSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)C(C)(C)O	2303834115	ABYOUIOTJHXUGG-LURJTMIESA-N	242.059	-0.528	50	10	BBGE	
Cc1ncn(-c2cc(B(O)O)c(F)cn2)c1C	2303837005	UODSNLQLIOCBQI-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ccnc(B(O)O)c1	2304053176	TXZSHPQBLMMPCC-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
N#CCC1CN(c2ccc(B(O)O)cc2C#N)C1	2317162635	KUWWDYSLILPMDP-UHFFFAOYSA-N	241.059	-0.412	50	10	BBGE	
Nc1ncccc1Nc1cc(B(O)O)c(F)cn1	2320781975	PYSMBPDUJSBHJN-UHFFFAOYSA-N	248.026	-0.379	50	10	BBGE	
OB(O)c1cc(OCc2ccccn2)ncc1F	2320807875	NEHQYRJXFIFPSQ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
COCCCNC(=S)NNC(C)=O	6820952	HRFDQQCTTOOIJA-UHFFFAOYSA-N	205.283	-0.462	50	10	BBGE	
O=S(=O)(CCCl)N1CCNCC1	59834794	DKFJJEXPGYWXSA-UHFFFAOYSA-N	212.702	-0.540	50	10	BBGE	
NNC(=O)c1nc(Cn2ccnc2)cs1	82468519	HAVXMIWCXMMLEF-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CN1CCC[C@H](N(C)CC(=O)NN)C1	82468596	FQMOXEPUFOBKHV-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](N)C2)nc1	94763734	XFEIOTVKNJBIIJ-VIFPVBQESA-N	235.291	-0.782	50	10	BBGE	
N[C@@H](C(=O)N1CCC[C@H]1B(O)O)C1CCCC1	197127543	QUXVIAHXXPEAMY-VHSXEESVSA-N	240.112	-0.493	50	10	BBGE	
Cc1ccnn1Cc1ccccc1B(O)O	203619637	DWUXMHYWHJXSEB-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CC(=O)c1cc(B(O)O)cc(C(F)(F)F)n1	206086498	UVISEOMOIBMSPS-UHFFFAOYSA-N	232.954	-0.017	50	10	BBGE	
OB(O)c1cc(F)cc(CO[C@H]2CCOC2)c1	211660463	GKGBPFBJGCNUOT-NSHDSACASA-N	240.039	-0.189	50	10	BBGE	
N[C@H](CO)C(=O)OCCBr	215745029	OCCHTVCKJWRDNV-SCSAIBSYSA-N	212.043	-0.756	50	10	BBGE	
COC[C@@H](CCl)Nc1nnnn1C	228899163	GWAOQOPJCPNKLT-RXMQYKEDSA-N	205.649	-0.124	50	10	BBGE	
Cc1nc(CN2CC(=O)OC(=O)C2)no1	231850631	RZRDCZCTUOZKAC-UHFFFAOYSA-N	211.177	-0.737	50	10	BBGE	
CCCCN(CCO)[C@H](COC)C(=O)NN	232419680	IAXAAFLTICMWSS-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
C[C@H](CC=O)c1ccc2c(c1B(O)O)OCO2	258221550	JSIFPUUYDOCAKX-SSDOTTSWSA-N	236.032	-0.212	50	10	BBGE	
CN1CCCN(C[C@@H](Cl)C#N)S1(=O)=O	306899565	KBMGHMLVPUPNAT-ZETCQYMHSA-N	237.712	0.000	50	10	BBGE	
C[C@@H]1NC[C@@H](I)C(=O)N1	307759639	SLQAJRFYESMPCU-QWWZWVQMSA-N	240.044	-0.145	50	10	BBGE	
CCCC(=O)N/N=C(\N)C(=O)OCC	308335457	APRIDPGOUNDTDO-UHFFFAOYSA-N	201.226	-0.262	50	10	BBGE	
NC(=O)NNC(=O)c1nc(Cl)cnc1N	309006201	UQAOHYQPLTWKCH-UHFFFAOYSA-N	230.615	-0.975	50	10	BBGE	
Cc1ccc(S(=O)(=O)NNC(=O)CN)cc1	309197938	VKZMOKXLQQSVKB-UHFFFAOYSA-N	243.288	-0.737	50	10	BBGE	
O=C(CCCCl)NC1CS(=O)(=O)C1	380247452	YIRWEKKXCYIAOH-UHFFFAOYSA-N	225.697	-0.081	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CCC(=O)NN	385871056	JHGKDIHDQVUXPU-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(CCN1C(=O)CCCC1=O)C(=O)NN	395621456	WLIGNODCKDCVRF-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
C[C@H](CN(C)Cc1cnns1)C(=O)NN	400009973	DGJRHYDFQQJVCD-ZCFIWIBFSA-N	229.309	-0.404	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NN)CO1	401414325	SZTRQHZRMMVVNW-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CO[C@]1(CO)CCN([C@H](C)[C@@H](C)C(=O)NN)C1	402604732	MHDPISQDNUGVCO-FXPVBKGRSA-N	245.323	-0.916	50	10	BBGE	
CO[C@H](C)C(=O)Nc1cc(C)ccc1B(O)O	405028420	NKYLWVIOVOKPFX-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
O=C1[C@@H]([N+](=O)[O-])CN[C@H]2CC[C@@H](Cl)N[C@@H]12	605700882	BZKUVKRRCYHFIM-ZTYPAOSTSA-N	233.655	-0.511	50	10	BBGE	
CN1CCN(c2nnc(CCl)o2)C[C@H]1CO	687609732	FNMYYCCUIDDPQB-ZETCQYMHSA-N	246.698	-0.079	50	10	BBGE	
COC(=O)N1CCC(NC(=O)NN)CC1	689564105	XQARLBYVYGQXKK-UHFFFAOYSA-N	216.241	-0.610	50	10	BBGE	
COCCCCn1nc(C)c(B(O)O)c1C	694271515	TZLFLGHULXNASZ-UHFFFAOYSA-N	226.085	-0.394	50	10	BBGE	
N#Cc1ccc(Cn2ccc(B(O)O)n2)cc1	694277811	UGFSROOZTMFALH-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H](CO)C1	696779419	RDYHZBVGHSADOH-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)[C@H](C)Cl)C(=O)NC	697903271	BFTGYHGDSUNKAV-NTSWFWBYSA-N	249.698	-0.036	50	10	BBGE	
O=C(NCB(O)O)c1cc(=O)c2ccccc2o1	706510851	LLLSNVQPNLGUBI-UHFFFAOYSA-N	247.015	-0.465	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1Cl)c1cnn[nH]1	706689110	WONBERVSAYFHLO-PHDIDXHHSA-N	230.655	-0.069	50	10	BBGE	
COc1ccc(CN2CC[C@@H]3C[C@H]32)cc1B(O)O	706927283	GJEZLAUNXCUCQZ-ZYHUDNBSSA-N	247.103	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]3C[C@H]32)O1	706969485	BKUGTKIFWULRPK-KYXWUPHJSA-N	225.292	-0.382	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@H]2C1=O	715701772	MGXZEJOFUMEKEU-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C(C)(C)O)CC1	716496013	KKJPAYQIRXIGGM-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCSC1	718253293	FBKYCFHUTUUAJO-IUCAKERBSA-N	247.364	-0.324	50	10	BBGE	
CNC(=N)SCC(=O)NNC(C)=O	719135587	AAUCCEAZFJBANP-UHFFFAOYSA-N	204.255	-0.959	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nn(C)cc1C	723523066	AYAIMJPLDOPXOD-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1[C@@H](C)C(=O)NN	725614812	WAFGUAJYSMNBCQ-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1[C@H](C)C(=O)NN	725614813	WAFGUAJYSMNBCQ-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)c1ccccc1	740738969	WLCQAWMBBNOWRD-UHFFFAOYSA-N	221.216	-0.677	50	10	BBGE	
O=C(NN=C1CCOC1)[C@H]1COCCO1	745212480	UHOJOXYPBZUNBG-MRVPVSSYSA-N	214.221	-0.706	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H]1CCCO1	755388144	ASAAJWRSDRYKEC-ZCFIWIBFSA-N	217.294	-0.319	50	10	BBGE	
Cn1ncc(C=NNC(=O)[C@H]2CCCO2)c1N	814940271	GMQDFOWXTNGNEH-MRVPVSSYSA-N	237.263	-0.369	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(F)cnc1O	1136416371	NFIZWNKPRODMLN-UHFFFAOYSA-N	242.210	-0.110	50	10	BBGE	
Cc1cc(NNC(=O)c2cn(C)cn2)nc(N)n1	1152551818	WRVVDCQJQBCHHQ-UHFFFAOYSA-N	247.262	-0.142	50	10	BBGE	
COCc1cc(C(=O)NN(C)C(N)=O)no1	1295202264	ZBKKMCGZPONKFX-UHFFFAOYSA-N	228.208	-0.524	50	10	BBGE	
C[C@]1(C(=O)NNc2cccnn2)CCC(=O)NC1	1339846513	MLAOJXFTICFAGD-NSHDSACASA-N	249.274	-0.164	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnn[nH]1	1464920395	QTIPRUIOHZJCBP-KVPKETBZSA-N	249.274	-0.142	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1	1543985046	ANWWIYLXWIQBEF-UHFFFAOYSA-N	239.235	-0.923	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnccn1	1597965465	HVARRKWBPCGPRM-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1ccnnc1	1639371249	BOEIRCXVXZXQFS-QMMMGPOBSA-N	238.247	-0.601	50	10	BBGE	
O=S(=O)(CCF)N[C@@H]1COC[C@H]1Cl	1881976178	OVLLRUGKFPDCCB-PHDIDXHHSA-N	231.676	-0.119	50	10	BBGE	
O=C1CO[C@H]2CCN(CCCl)C[C@H]2N1	1886617526	ZNLNWULIMATTMP-SFYZADRCSA-N	218.684	-0.186	50	10	BBGE	
CNc1cc(C(=O)O)cc(B(O)O)c1C	1887551536	GJDBEINATFSGCY-UHFFFAOYSA-N	209.010	-0.585	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1Cl	1893469088	FMYOXLOCFBLNGQ-NTSWFWBYSA-N	240.712	-0.592	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21	1895071789	ZYUNUGZPPBBPRF-XVMARJQXSA-N	233.023	-0.204	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@@H]3C[C@@H]32)nc1	1898119378	YJLNJDREQBSHSP-FKTZTGRPSA-N	219.049	-0.061	50	10	BBGE	
C[C@H](NC(=O)c1cnsc1B(O)O)C1CC1	1900452266	QIZGXDDMPPAZRO-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
CNC(=O)CSCCC[C@H]1C[C@H]1C(=O)NN	1900532734	CBYLKYHUDZXBKX-JGVFFNPUSA-N	245.348	-0.128	50	10	BBGE	
CN(NC(=O)CC[C@@H]1CCCN1)S(C)(=O)=O	1901373391	KBYYLLOLIJSLIW-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
CON(CC(B(O)O)=C(C)C)[C@@H]1CCOC1	1901608691	BQYVGYOANFKAEE-SECBINFHSA-N	229.085	-0.013	50	10	BBGE	
CN(CC1(O)CC1)C(=O)C1CC(B(O)O)C1	1901621406	PCRYQUNNJFQVEF-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
CC(C)=C(CN(C)C[C@@H]1CCN1C)B(O)O	1901701332	JMDSFTNUHSFTJK-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
COC(C)(C)C(=O)N1CC[C@](C)(B(O)O)C1	1902512927	PGXZCFNVZKRQCP-JTQLQIEISA-N	229.085	-0.123	50	10	BBGE	
C[C@H](CN(C)C)N(C)CC(F)(F)C(=O)NN	1904707844	OFSFHBPOPKEKAV-SSDOTTSWSA-N	238.282	-0.507	50	10	BBGE	
CCc1nn([C@@H](C)CC(=O)NN)c(=O)n1CC	1905551762	RFBUSISSQCALFK-ZETCQYMHSA-N	241.295	-0.432	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	1907071990	CTBDORZGFIMATN-WCABBAIRSA-N	232.092	-0.004	50	10	BBGE	
NNC(=O)CCN1C[C@]2(CO)CCC[C@]2(F)C1	1907614660	KQXFUDJWRBYVLM-QWRGUYRKSA-N	245.298	-0.447	50	10	BBGE	
CN(CCOC1CC1)C[C@@H]1C[C@H]1C(=O)NN	1914550311	GQBXXVUZHSHLJZ-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
O=S1(=O)C[C@@H](NCC(Cl)Cl)CN1	1923934255	PWUNTKGSWKXGJX-BYPYZUCNSA-N	233.120	-0.319	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@H]2C[C@H]2CC1	1928211002	OBMMCGBQJPKSLQ-AYMMMOKOSA-N	211.070	-0.059	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NS(=O)(=O)C2CC2)C1	1928751955	XSHAKXFFLBSBIO-YUMQZZPRSA-N	238.740	-0.010	50	10	BBGE	
C[C@H](OC[C@@H]1OCC[C@@H]1C)C(=O)NN	1932229528	QNZSBTKTOBEJRF-FXQIFTODSA-N	202.254	-0.194	50	10	BBGE	
C[C@]1(Cn2ccc(B(O)O)n2)CCCO1	1932491975	GJSCMPGDMGAHSW-SECBINFHSA-N	210.042	-0.868	50	10	BBGE	
CN(CCOCC(=O)NN)CCC(F)F	1932582146	QALCLLZTMQOFTE-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
CC[C@@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1	1935943029	ZGHJUKJQCMAFLF-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)CCO1	1936094343	MKRPNKJBTZMFRD-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1937052882	IWMRIRQTRDTCCD-FXPVBKGRSA-N	227.308	-0.685	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1CCOC[C@@H]1Cl	1937148010	YLDOZCUFCYCQAR-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3CC[C@H]2C3)CC1	1938231852	DUHPCPYJAQCVCT-YUMQZZPRSA-N	223.276	-0.233	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@@H](F)C2)CC1	1938231935	GCCXFZJBHIQURL-YUMQZZPRSA-N	231.271	-0.839	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1941121461	IJJRUYYAZZFMFF-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
CN(C)NC(=O)NC1CCN(CC(=O)O)CC1	1945418811	RGKTYVLFAVSZCV-UHFFFAOYSA-N	244.295	-0.689	50	10	BBGE	
N#CC1(O)CCN(Cc2nccnc2N)CC1	1946238167	JFVNTMRRSWULMG-UHFFFAOYSA-N	233.275	-0.091	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC([C@H]2CC2(F)F)C1	1948095191	NYXDWFRKARIWEN-HTQZYQBOSA-N	249.261	-0.422	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1950220050	IUQZZFOAGNDAFG-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CSC[C@@H](NC(C)=O)[C@@H]1CC(=O)OC1=O	1951514734	RQJKJEGPXCKZQT-NKWVEPMBSA-N	231.273	-0.056	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCNC(N)=O	1954506903	PBFZSFBCMSAPBK-YFKPBYRVSA-N	207.661	-0.212	50	10	BBGE	
O[C@@H](CCl)CN1C[C@H](O)[C@@H]2COC[C@@H]21	1955241171	QTHKBSDCBXCOLI-KZVJFYERSA-N	221.684	-0.722	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@H](C)S(N)(=O)=O	1955559343	PRMQLAZUIKZCRT-RITPCOANSA-N	242.728	-0.203	50	10	BBGE	
OC[C@@]1(O)CCCN(C[C@H](O)CCl)C1	1956260851	RLYQULPQGRFGMT-RKDXNWHRSA-N	223.700	-0.595	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@H](O)CCl)C1	1956438216	KZWHDLSLZYTBBK-YIZRAAEISA-N	223.700	-0.332	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCOC[C@H]1C(N)=O	1958796989	FRVKQMUSGIMASA-BQBZGAKWSA-N	234.683	-0.284	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(OC)(C(N)=O)C1	1958916889	DGLQNLYARIYTBZ-LURJTMIESA-N	234.683	-0.284	50	10	BBGE	
C[C@@H](C#N)CN(C1CC1)[C@H](C)C(=O)NN	1961233249	DKZWSSPJIXFECQ-JGVFFNPUSA-N	210.281	-0.011	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]2C)c(B(O)O)c1	1961686342	CFFOARJAUBAIDN-IONNQARKSA-N	207.038	-0.143	50	10	BBGE	
Cc1ccn(-c2ccncc2B(O)O)n1	1961722599	ICJCEIZFJVBFNR-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C#CCN(CCF)C(=O)c1ccc(B(O)O)cc1	1965461294	AXHXZDVMWIJUOJ-UHFFFAOYSA-N	249.050	-0.589	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CC[C@H](O)CC1	1976640459	NQIKELALJGGCEQ-MGCOHNPYSA-N	229.324	-0.008	50	10	BBGE	
COC[C@@]1(C)COCCN1CCC(=O)NN	1980190906	ZCTULANRLFIYQN-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
CN(CC(=O)NN)C1[C@H]2CCC[C@H]1COC2	1980447433	NDDPMNCAMSCTLN-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@H](O)C1	1980522261	YAPHWZALGIRXLA-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CCOCCN(C)c1ncccc1B(O)O	1981424100	NYVRIRDUQBQDHF-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
OB(O)c1csc(N2C[C@@H](F)C[C@H](F)C2)n1	1985766309	BHPGEWJVMADESD-WDSKDSINSA-N	248.063	-0.291	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)[C@H]2C[C@@H]2Cl)CC1	1991677336	KEDIVHXXZHPKOS-BQBZGAKWSA-N	246.694	-0.548	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2OC(=O)N[C@@H]2C1	1991717381	XAEMHEKGUXDTKE-GONBATFASA-N	244.634	-0.373	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1ccc(B(O)O)cn1	1996644961	CVGXRDQYAGROLK-HQJQHLMTSA-N	234.064	-0.254	50	10	BBGE	
Cc1cc(CN(C)CCOCC(=O)NN)on1	2004004296	JSQLAVRYQIHGJB-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1	2004327762	RBIXLQCHSLEVFN-MRVPVSSYSA-N	237.263	-0.964	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C[C@H]1C	2004912322	RHEJAAMLPYNXNC-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1C[C@@H](C)CN(c2ncncc2B(O)O)C1	2004921008	QEHHXNKWIWVRRD-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CCCOC2)n1	2004933469	IAQJXGNJQXTHDF-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
COc1nc(O[C@H](C)C2CC2)ncc1B(O)O	2004934161	PLOWUOAGZLTUMW-ZCFIWIBFSA-N	238.052	-0.658	50	10	BBGE	
COC(C)(C)COc1ncc(B(O)O)cc1C	2004934667	SBXBOAPTQZOHCT-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)CC1	2005806026	IQTQSFFQHZAXIV-BGZDPUMWSA-N	235.287	-0.377	50	10	BBGE	
Cc1cc(OC[C@@H](C)N(C)C)ncc1B(O)O	2006999127	CPAZSFHTOFVVGV-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2COCC[C@@H]2CC1=O	2013041720	KZSVBVWHUQUERS-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
C=C[C@]1(O)CCCN([C@H](COC)C(=O)NN)C1	2018856157	ODZKDEMWAROYHR-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
CC[C@]1(C)COCCN1CC(=O)NNC(C)=O	2019212697	LPNYPAKDCINYAW-LLVKDONJSA-N	243.307	-0.345	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CO[C@@H]3CC3(F)F)(C1)C2	2023843514	QHXLTFUNHGBBQA-FTLITQJKSA-N	248.229	-0.050	50	10	BBGE	
CC1(F)CN(CC23CC(C(=O)NN)(CO2)C3)C1	2023852139	DMBHUWPEELMPNE-UHFFFAOYSA-N	243.282	-0.431	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@H](C2CC2)C1	2052492341	ROZRXFZSEMADPS-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
Cc1ccc(CN2C[C@H]3COC[C@@H]32)cc1B(O)O	2066310958	VTNWQGCLUAFHHY-AAEUAGOBSA-N	247.103	-0.495	50	10	BBGE	
CO[C@@H]1CN(CCCl)[C@H](CO)[C@H]1OC	2209443295	AVASISCEPICAHC-IWSPIJDZSA-N	223.700	-0.068	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@@H]1CCO	2212239937	OWJXKHIZSHDXOM-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
CC1=CCCN(c2ccc(B(O)O)cn2)C1	2212602136	ZAPHUWHPZZNAHD-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
N#CCC1CN(c2ncccc2B(O)O)C1	2212615898	WLHPWIPPEIDZGP-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@](F)(CO)C1	2215770636	CTNSNEWFMVQMFI-IQJOONFLSA-N	245.298	-0.591	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H](O)C12CCC2	2215773122	RJWANOQIRLBMNE-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
CN(c1ncccc1B(O)O)C1(CN)CCC1	2217177310	HSGZWPRUZXNDIX-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
COC[C@H]1C=CCN1c1ccc(B(O)O)cn1	2217181135	NHGFWGFEOXIQRI-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CC(C)(CN)CCOc1ncccc1B(O)O	2217182745	CJYHCXIBFITHQL-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
NCC[C@H](Oc1cc(B(O)O)ccn1)C(F)F	2217186877	PZMPPZCRWAZVFZ-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@H]3C[C@@H]32)nc1	2217195657	MFUBTJDPKAMIOL-UJNFCWOMSA-N	233.080	-0.243	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@@H]2C2CC2)c1	2223663275	OJHOJAGQVIFMLK-ZYHUDNBSSA-N	248.091	-0.719	50	10	BBGE	
Cc1ncc(CNc2ccc(B(O)O)cn2)n1C	2223676723	FFQDTMZSYAXMFY-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
CO[C@@H]1C[C@@H]1NS(=O)(=O)N1CC(Cl)C1	2241338709	QHKFAZWOOFXQOK-NKWVEPMBSA-N	240.712	-0.469	50	10	BBGE	
C[C@H]1CCN(C(=O)c2csc(B(O)O)c2)C1	2243356969	PHDLAZMFQMUYED-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2243357522	XZBWRCIKDZORRQ-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243366214	YTLICUBYLRVWBD-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CSC2)C1	2243397133	WHEMIGPWHSNJSY-UHFFFAOYSA-N	241.121	-0.185	50	10	BBGE	
O=C(C#CB(O)O)N1CCS[C@H]2CCC[C@@H]21	2243399205	JZLSOJUVQJNGDW-IUCAKERBSA-N	239.105	-0.502	50	10	BBGE	
CN[C@H](C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417904	YFKYAZFKLGYNAS-HLTSFMKQSA-N	228.101	-0.646	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243426206	FUBSLPUELDGAKF-XSPKLOCKSA-N	227.069	-0.467	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427128	QWJXSFHKNQNBNW-AZQAYCESSA-N	227.069	-0.467	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1sccc1B(O)O	2244150699	HDQUUUXOGFLXTA-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)c(C)cn2)CC1	2244534411	JKUBSGOADZFYJA-UHFFFAOYSA-N	216.049	-0.352	50	10	BBGE	
CC1(C(=O)NCCC#CB(O)O)CC=CC1	2244545692	ATVXJFKUCCMURD-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2245115647	AXFGZEARHSPOCD-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
NCCCONc1cc(B(O)O)c(Cl)cn1	2245913793	YDSYZNNXDZKUMT-UHFFFAOYSA-N	245.475	-0.893	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)C#CB(O)O)CC1	2247744775	YBBLLWGBOONEAE-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccsc1B(O)O)C1CC1	2247749321	RPCNFVIONHWFSO-SECBINFHSA-N	249.100	-0.431	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C(C)(C)C	2247782169	QZPOIQISDSAFLF-ZCFIWIBFSA-N	239.084	-0.746	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2C[C@@H]2C)c(B(O)O)c1	2247787527	QGCGMOPXSMKPTF-CBAPKCEASA-N	234.064	-0.792	50	10	BBGE	
CC(C)[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2247796524	AMOWHTPGEYFOQF-RRQHEKLDSA-N	243.068	-0.535	50	10	BBGE	
O=C(NCCCn1cccn1)[C@@H]1C[C@H]1B(O)O	2247806066	DBERVODIKABVRV-RKDXNWHRSA-N	237.068	-0.748	50	10	BBGE	
CN1CC[C@](C)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247807066	HDOGTWGMPGUESB-ATZCPNFKSA-N	240.112	-0.693	50	10	BBGE	
O=C(NCCC[C@@H]1CCOC1)[C@@H]1C[C@@H]1B(O)O	2247808708	LYVGTNLQDYUVFC-BBBLOLIVSA-N	241.096	-0.218	50	10	BBGE	
O=C(C#CB(O)O)N1CCOCCC12CCC2	2247849507	AWHVPCNQUSCWOL-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CCCC1	2247853229	IHSYTPUQJBPLRX-UHFFFAOYSA-N	237.039	-0.259	50	10	BBGE	
O=C(NCC1CC2(CNC2)C1)C1(B(O)O)CC1	2247871651	FQVDRQMERPICQX-UHFFFAOYSA-N	238.096	-0.891	50	10	BBGE	
O=C1[C@H]2CCCC[C@H]2N1C(=O)C1(B(O)O)CC1	2247878005	GWTWBPBLTKHZSQ-JGVFFNPUSA-N	237.064	-0.079	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2247878517	KZFOBMAYWRTQLX-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2occc2B(O)O)C1	2247879118	QTSGCGUHGPPRPH-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247879527	UDHYGEZJXURCGY-RKDXNWHRSA-N	240.112	-0.230	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879705	VBQBKEOKJXNMTF-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CCCN1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247895643	BFGKUGQHEVDVTD-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@]1(CO)CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247896690	JDMMGOVXOJNWOX-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
Cc1cncc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247898329	CJCCMMCSPAZULP-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
CCc1noc(C)c1C(=O)NCC#CB(O)O	2248414854	QHHYGLKVPLDCPD-UHFFFAOYSA-N	236.036	-0.709	50	10	BBGE	
Cc1nc(NC(=O)C(C)(F)F)ncc1B(O)O	2248442360	SCAUKFKUKHLLEN-UHFFFAOYSA-N	244.994	-0.941	50	10	BBGE	
CC[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)CC(=O)O	2248584667	ABSMVYXLMMVMPV-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC=C(F)F	2248597828	DBGQTNDORXBQFJ-UHFFFAOYSA-N	244.006	-0.785	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1ncc(B(O)O)cn1	2248693936	QAVQSRUUZHFGSC-IONNQARKSA-N	233.080	-0.609	50	10	BBGE	
CC1(CNC(=O)c2cocc2B(O)O)CCC1	2249424039	NMRNWNREJAOTNG-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ncccc1B(O)O)C2	2255523000	QBCZNSBGYPUSNN-PRHODGIISA-N	246.075	-0.757	50	10	BBGE	
Cc1ncccc1NC(=O)c1cc(B(O)O)n[nH]1	2255548955	DSYILDGNXDRYOZ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1C	2255684204	IUELKCLTKRUSEU-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1C	2255734400	AAJCBWJIQGJQAQ-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
C=C(C)CCCNC(=O)c1ncc(B(O)O)cn1	2255781648	RKCYAIJVAFEGIH-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
O=C(NCCn1cccc1)c1cc(B(O)O)co1	2258128316	OMEDDDLMBTVNIU-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)co3)[C@@H]1C2	2258130137	BTFZEWYYTDCSGX-HOTUBEGUSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298368887	BDQUTSZOXVLRAN-JLIMGVALSA-N	240.112	-0.552	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1N	2298369104	JALGCCALPBWEQK-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCO1	2298376925	XKAPFOUVYFGTFJ-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)C[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298462691	BAQORLKFNHGXBM-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(F)(CN(C)C)CC1	2300071850	DCJPAQKTHGCJBV-SECBINFHSA-N	246.330	-0.270	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOC1CCC1	2300895959	CUHZCANRDTWOKF-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
COc1cccc(NC(=O)C#CB(O)O)c1C	2302244400	GDGZDXGAASWXPN-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@]2(O)C[C@H]2C1)C(=O)NN	2303427343	XLWUTTIGULOKOI-ZMLRMANQSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303835282	UKBHFCWXEKWKAI-SSDOTTSWSA-N	242.059	-0.983	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1O[C@H]2CC[C@H]1C2	2307438439	DHTGSJMHIGDFBG-GUBZILKMSA-N	244.291	-0.423	50	10	BBGE	
Cc1nc(N(C)[C@@H]2[C@@H](C)C[C@H]2C)ncc1B(O)O	2316992572	BAEYTFMEEWFNQW-VROVMSAKSA-N	249.123	-0.054	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C=CCN1	2317168607	WRJLOUHZJIUJES-LLVKDONJSA-N	243.075	-0.822	50	10	BBGE	
Cc1ncc(B(O)O)c(OCc2ccccn2)n1	2317798855	BPSAAEOEKOHOGA-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
NNC(=O)CCCC(=O)NC[C@H]1CCCO1	58862740	AFRMCIPWRKKJNY-MRVPVSSYSA-N	229.280	-0.558	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1CCN	70150053	ULHLWSGTIJVNHW-SNVBAGLBSA-N	242.323	-0.643	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCCO1	82469920	SOCYEGZFFBATJX-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CSc1nncn1C)C(=O)NN	82471953	OHWOFLWAGFKBSK-RXMQYKEDSA-N	215.282	-0.467	50	10	BBGE	
O=C1[C@@H](Br)CCN1CCO	82607434	MKUNSMFXNJOUBU-YFKPBYRVSA-N	208.055	-0.026	50	10	BBGE	
CC(C)(CN1CCC[C@@H]1CO)C(=O)NN	86597926	SHYZLTPKBGLGIS-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)NNC(=O)c1nnc(Cl)s1	87695246	HUAXJDFEEXMTCL-UHFFFAOYSA-N	220.641	-0.028	50	10	BBGE	
CC[C@H](C(=O)NNC(=O)CSC)N(C)C	89994511	ZBSNNSGXVVMGLW-SSDOTTSWSA-N	233.337	-0.163	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)N(C(N)=O)N(C)C	101250600	QSEXPMNFRZYLNF-NTSWFWBYSA-N	203.242	-0.047	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C(C)=O)CC1	110589383	KLLFOFIFPKXKIC-SNVBAGLBSA-N	242.323	-0.691	50	10	BBGE	
C[C@H](CN1[C@@H]2CC[C@@H]1CC(O)C2)C(=O)NN	111214699	KFBORZVGJURRKC-IWSPIJDZSA-N	227.308	-0.400	50	10	BBGE	
CNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	125226590	WSOMJCSNDPCTPC-WHFBIAKZSA-N	226.685	-0.680	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=O)c(C)nn1	132675003	YNNDNJRFOZVKQW-UHFFFAOYSA-N	209.209	-0.593	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NC(=O)NC(=O)CCl	135304706	HUELWRRZAVVSSN-UWORMDEDSA-N	240.712	-0.182	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CCCCC(=O)NN)C1	166157432	BOCKQULLWFZRKW-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
COc1cc(OC)c(OC)c(B(O)O)c1	197572252	RWCPYRRXJIJTIE-UHFFFAOYSA-N	212.010	-0.608	50	10	BBGE	
N[C@H]1NC(=O)NC[C@H]1I	201362034	FFHQZGHBRVVMIG-GBXIJSLDSA-N	241.032	-0.612	50	10	BBGE	
COc1c(F)cc(B(O)O)c(F)c1F	216458383	OAPIXFPPDKXRNR-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
Cc1nnc2n1-c1c(F)cc(B(O)O)cc1CC2	221065791	REUGLGSLWRNTNV-UHFFFAOYSA-N	247.038	-0.507	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](NC(C)=O)C1	228341659	SRKQPROTECBWIF-VHSXEESVSA-N	242.323	-0.645	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@H](C)CCl	229036883	AMECHYCPOCXGBF-RQJHMYQMSA-N	209.673	-0.015	50	10	BBGE	
CO[C@H]1CCN(CCCC(=O)NN)C1	234796705	SJEPWZXFVTZLCA-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)c1c[nH]c2cccnc2c1=O	238565146	KAPGMFIHNTXIFM-UHFFFAOYSA-N	204.189	-0.473	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1CO	252615400	YZACHMYUWCMMHK-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@H](C)CCC(=O)NN	300247308	UYHKQZKLGNTBKV-DTWKUNHWSA-N	244.339	-0.541	50	10	BBGE	
CN(C)CCONS(=O)(=O)CCCl	379012663	OIASCMFZPYHGLR-UHFFFAOYSA-N	230.717	-0.362	50	10	BBGE	
C[C@H]1OCCN(CCCC(=O)NN)[C@@H]1C	380342881	OWEAZFHHMHDPPA-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N(C)C)C1	382350044	PCDQUHSEVSSMBE-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
CCN(CCC(=O)NN)C[C@@H](C)OC	383041048	ORUMXFVRWXCLPJ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CN(CC1CC(F)(F)C1)C(=O)C(=O)NN	383508548	IWPJBDOQNRPRGY-UHFFFAOYSA-N	221.207	-0.520	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)co2)C[C@H]1O	388716803	ZFQSQVAIMOISHF-GMSGAONNSA-N	239.275	-0.304	50	10	BBGE	
CC(C)(CCN1CCOCC1=O)C(=O)NN	395699427	HABPCNAUMCBTMA-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1C=O	396054951	JRKYARSUBGQTHD-UHFFFAOYSA-N	206.006	-0.228	50	10	BBGE	
O=Cc1ccc(B(O)O)cc1CC(=O)CCl	396069327	MDOGFTNEBUXSSI-UHFFFAOYSA-N	240.451	-0.471	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1/C=C/C(=O)O	396140601	WVKITXXFZPCJFF-AATRIKPKSA-N	248.043	-0.404	50	10	BBGE	
N#CCc1cc(CCC(=O)O)ccc1B(O)O	396141299	ZDKLIRZSYQHGRP-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#CCCc1ccc(/C=C\C(=O)O)cc1B(O)O	396142954	SPDFWLLBLXCYJA-XQRVVYSFSA-N	245.043	-0.080	50	10	BBGE	
C[C@@H](N[S@](C)=O)c1ccc(B(O)O)cc1	404940895	RWVRJGAUHSUSHM-MLXNANBUSA-N	227.094	-0.690	50	10	BBGE	
O=C(Cc1cc[nH]n1)Nc1ccc(B(O)O)cc1	404984674	UCDWITJKAKUIEK-UHFFFAOYSA-N	245.047	-0.729	50	10	BBGE	
O=C(NCc1cc(B(O)O)ccc1F)C1CC1	404987211	PSJYSGJQXFMFDY-UHFFFAOYSA-N	237.039	-0.468	50	10	BBGE	
CN(CC1CC1)CC(F)(F)C(=O)NN	685957810	GTVGSUZADLAKSB-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]([C@@H](C)O)C1	688916347	MEUKCORJFICKSE-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	690068053	UNQHTJNRZJYBLK-ZJUUUORDSA-N	235.048	-0.660	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	690716263	HYMNRDHLOJTCLC-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
N#CC1(O)CCN([C@H]2COC[C@H]2O)CC1	692125077	ZIKGSTAMUZJVEN-DTWKUNHWSA-N	212.249	-0.903	50	10	BBGE	
OB(O)c1ccn(CCn2cc(Cl)cn2)n1	694307904	JTSYNJQFGOWZAE-UHFFFAOYSA-N	240.459	-0.887	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)cn2)O1	694562383	AEVBQEAMMWXHCD-VXNVDRBHSA-N	210.042	-0.870	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@]1(C)CO	694662103	OPRNAMSAFHJVSJ-KKZNHRDASA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H](CO)C1)C(=O)NN	696781137	UTIWQFGKWYZEMT-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CN1CCN(CCOCCCl)[C@@H](CO)C1	699492711	YXODRTAQHJAUOD-SNVBAGLBSA-N	236.743	-0.150	50	10	BBGE	
Cc1cc(C)c(C(=O)NNC(N)=S)c(O)n1	700891222	YFLSKECKNYPDNI-UHFFFAOYSA-N	240.288	-0.118	50	10	BBGE	
CC(=O)Nc1cccc(C(=O)NCB(O)O)c1	702028962	JHLVCOKOLRIRNP-UHFFFAOYSA-N	236.036	-0.613	50	10	BBGE	
C[C@H](CN1CC2(CCCO2)C1)C(=O)NN	702940167	XGTLQRWTVCHMIF-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
COC[C@@H](S[C@@H]1CCOC1)C(=O)NN	703103909	DKYZLAFWTQDUAV-RNFRBKRXSA-N	220.294	-0.487	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@H]2C1	706199304	DGPPMZFPIYAJDU-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1CN(CCC(C)(C)C(=O)NN)C[C@H]1CO	708131643	VTBKTJIUIMMYKP-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
CN1CC[C@@H](N(C)CC(C)(C)C(=O)NN)C1=O	708561366	LVGIKVTXJWJNOH-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
O=C(CCCl)N[C@H]1COCC[C@@H]1O	710945840	NSWQXTJGZKNYAZ-BQBZGAKWSA-N	207.657	-0.119	50	10	BBGE	
COC(=O)N1CCCc2cccc(B(O)O)c21	712131551	VJUBXGLTQNUZOC-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CN(CCCF)C[C@H]1CC[C@@H](C(=O)NN)O1	716693006	ZTHFDFBSJPTKKX-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
O=C(NCB(O)O)C1CC2(CSC2)C1	718478236	IMTYGZQJAWGPSV-UHFFFAOYSA-N	215.083	-0.742	50	10	BBGE	
O=S(=O)(C1=NCC=N1)N1CC(CCl)C1	725556629	QDCMAYDEYRIZQE-UHFFFAOYSA-N	235.696	-0.073	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733805089	CKVMLCFOSZGEHX-HRDYMLBCSA-N	241.291	-0.737	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cnn[nH]2)c1	763354597	YEYIBQFSFQHVMA-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
C[C@]1(C(=O)NNc2ncccn2)CCC(=O)NC1	798878222	KDCNFOYMSPYIFF-NSHDSACASA-N	249.274	-0.164	50	10	BBGE	
COCCN(C)NC(=O)[C@H](OC)[C@H]1CCOC1	854409704	KJWWYVATNUBPDG-VHSXEESVSA-N	246.307	-0.353	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)/C=C\C2CC2)nn1	855188488	LKXQTEZFKLAONE-PLNGDYQASA-N	235.247	-0.458	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)C[C@H](C)O	910138731	LJDJTZNXHZBYRO-JTQLQIEISA-N	229.324	-0.162	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cnn2c1CCC2	1118524774	HYNONXIPWFDSQN-UHFFFAOYSA-N	236.231	-0.548	50	10	BBGE	
CCOC(=O)[C@@H](CC)C(=O)NN(C)C(N)=O	1151329488	HHLSIDHBKXGZBY-LURJTMIESA-N	231.252	-0.383	50	10	BBGE	
CNC(=O)NC[C@H]1CN(C(=O)CCl)CCO1	1329682620	SANSMDBHGOTADB-ZETCQYMHSA-N	249.698	-0.618	50	10	BBGE	
N#C/C=C\CN1C(=O)N[C@]2(CCOC2)C1=O	1459030956	HIWUELNXYCJMBT-SYBPUXJVSA-N	221.216	-0.223	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)[C@H]1COCCO1	1524184063	YLGJXLLZLGOEEI-JGVFFNPUSA-N	241.247	-0.901	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1ncccn1	1525800306	FURCKTBWEOXKDP-UHFFFAOYSA-N	238.247	-0.337	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)C1CCC1	1565711721	NHNMJLCBAHMRHV-MRVPVSSYSA-N	224.260	-0.028	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1ccccn1	1618413394	KJZKKUWEYBWWEX-UHFFFAOYSA-N	233.227	-0.508	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccn(C)c1=O	1627016098	ARQPQWSBOKJCRY-UHFFFAOYSA-N	238.247	-0.699	50	10	BBGE	
COC[C@@H](C)CC(=O)NNC(=O)c1ncon1	1627099679	JEWYWPOPLVTJRK-LURJTMIESA-N	242.235	-0.497	50	10	BBGE	
O=C(F)NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1882787559	NPLSOVVDRWBTMX-FPFOFBBKSA-N	207.226	-0.044	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)NNCCO	1886985604	BHYHAJMSWGPITG-ZETCQYMHSA-N	202.254	-0.728	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=S)CCCOC1	1888177717	PPVGVASUUJNFHV-MRVPVSSYSA-N	217.294	-0.333	50	10	BBGE	
COC[C@H](O[C@H]1C=CCC1)C(=O)NN	1893723958	VAGKWTDFEXHLSN-YUMQZZPRSA-N	200.238	-0.274	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H](CO)[C@@H]2C1)C(=O)NN	1895241376	MHIYIAPSTQMYAF-XFWSIPNHSA-N	227.308	-0.827	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@H](C)C(=O)NN	1900249685	AYQYECKNJBKZMK-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)COC[C@@H]1Cn1ccc(B(O)O)n1	1901102920	RBIJBNWRESNPQZ-QMMMGPOBSA-N	224.069	-0.765	50	10	BBGE	
CN(NC(=O)[C@@H]1CC=C[C@@H](N)C1)S(C)(=O)=O	1901376261	YEFDVNHQWZMYQV-HTQZYQBOSA-N	247.320	-0.798	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1cc(B(O)O)c(F)cn1	1903009665	GLETXFYAYVOAIP-RQJHMYQMSA-N	224.044	-0.255	50	10	BBGE	
O=C([C@H]1CCCOCC1)N1CC[C@@H](B(O)O)C1	1905584516	QBRKCTDUALNUKU-VHSXEESVSA-N	241.096	-0.122	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC=C[C@@H](O)C2)C1	1908357485	HFPPLFHVCLIMLW-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)N(C)C1=O)C(=O)NN	1912281430	ZZQYYASNKRKXDU-NKWVEPMBSA-N	214.269	-0.632	50	10	BBGE	
CN(C)C[C@@H](N)C(=O)N1CC=C(C#N)CC1	1917084042	IRAOZCSSCZCXAE-SNVBAGLBSA-N	222.292	-0.442	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCOCC1	1927816701	QPPJVMWNMPCVKG-UHFFFAOYSA-N	223.223	-0.666	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1CN(C)C1	1928161252	RGTWOBYWAKYCSY-VIFPVBQESA-N	214.313	-0.753	50	10	BBGE	
CC[C@@]1(C(=O)NNCCO)CCCO1	1929838765	SKZDIKXEKDHZKI-VIFPVBQESA-N	202.254	-0.441	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H](F)C1	1932135418	SZVBZLMTHXCYHX-ZCFIWIBFSA-N	203.217	-0.673	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)C[C@H]1C	1934982021	WOEKOJUZTPCCRF-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CN1CC[C@H](N(C)CC(F)(F)C(=O)NN)C1	1935943868	HJOGTNRTBZHSJF-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
C[C@@H](CN1CC[C@@]2(CCCO2)C1)C(=O)NN	1936297799	SHXMKCQPDBWXOR-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
COCCCCN(C)CCOCC(=O)NN	1936531567	FKRJAWQYHMRADX-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=O)C1CCOCC1	1937708315	FDUZRVMCOMKDRE-ZETCQYMHSA-N	231.252	-0.873	50	10	BBGE	
C[C@H](CN1CC(C)(C)C[C@H]1CO)C(=O)NN	1938237659	PRMOFTVOGHKYGU-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
COC[C@]1(OC)CCCN(CC(=O)NN)C1	1938621316	PFAKDIJXXUPGMV-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)CCN1CCn2ncc(Cl)c2C1	1939123350	VPCMYIXNAOANDE-UHFFFAOYSA-N	243.698	-0.268	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1C(=O)N(C)C	1940292106	SGVMNRYVXPBCPW-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1941091230	WHZDTAGNGWVFFG-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
O=C1NC[C@H]2CC[C@H]1N2C(=O)CBr	1954081298	MGMLVIMIWVNJOM-PHDIDXHHSA-N	247.092	-0.129	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(C(=O)CCl)CCO1	1954189969	SBNSLSKYDOCVFF-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@@H]1CO	1954216451	WTPXELVUNNTIBK-HTQZYQBOSA-N	203.673	-0.617	50	10	BBGE	
O=C(CCl)NC[C@H]1CCNC(=O)C1	1954564060	IZPHNPKHTRQVGY-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@H]32)n1	1956963822	DFVPSQQCIQTMEQ-NTSWFWBYSA-N	210.067	-0.579	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N([C@H](C)C(=O)NN)C1	1957739481	RAVJSEYTHMMNJP-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(CCF)C1	1958352588	KZWAYMBPNYRVGJ-DTWKUNHWSA-N	215.272	-0.096	50	10	BBGE	
C[C@H](CN1CC(C)(N(C)C)C1)C(=O)NN	1958750377	XSUOLABMOQBILD-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
NC(=O)NN=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	1958905431	HJOUIXJWSMFMIK-OLQVQODUSA-N	231.277	-0.535	50	10	BBGE	
CC[C@@H](O)CN(C)[C@H](C(=O)NN)C(C)C	1959516345	FWDFMIKUPWVHRD-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
CC(C)[C@@H](O)CN(C)[C@H](C)CC(=O)NN	1960662116	CJUFPIZONXDTMI-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1960963082	FPFODDGVBIIJIB-YIZRAAEISA-N	212.297	-0.857	50	10	BBGE	
CCN(C)C1CN(C[C@H](C)C(=O)NN)C1	1961180542	LTWGLZPJBOFOER-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1N(C)CC(=O)NN	1961284657	HZBFPIPIUYWGSK-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(=O)NN)CC1(C)C	1961387970	OXTRZFRRGWXRAH-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CCO2)C1	1961521375	VATQTHHCKCCHBO-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
Cn1nnnc1CNC[C@H]1C[C@@H](CCl)CO1	1975559315	GATOOKQPYBFSSY-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1CN(C)C2)C(=O)NN	1976820936	QHTRVLKKGFPPIQ-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
CC[C@H](O)CN(CC)CC(=O)NNC(C)=O	1977844069	YGHXRHBXLYQKKF-VIFPVBQESA-N	231.296	-0.754	50	10	BBGE	
CN(CCC(=O)NN)Cc1cc(Cl)n(C)n1	1979405438	PDGUOPDQLAWHIM-UHFFFAOYSA-N	245.714	-0.115	50	10	BBGE	
CC1(C)C[C@@H](CO)CN(CCC(=O)NN)C1	1981411532	LGBHTMLSFKFXLR-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
Cn1ccnc1Sc1ccc(B(O)O)cn1	1981454087	CUUZVBTWKXKYLQ-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@@H]2C)n1	1981468819	IRJRTOWLFQDDDY-BQBZGAKWSA-N	221.069	-0.691	50	10	BBGE	
C[C@H]1COCCCN1c1nc(B(O)O)cs1	1981472011	MNPHGUGRZVLHCP-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1981563289	VRMYTJJVDSUOKN-XGQMLPDNSA-N	223.276	-0.521	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H](F)[C@H](CCl)C2)n1	1983550812	JSRRPGPGUGJMTD-RITPCOANSA-N	247.661	-0.141	50	10	BBGE	
COCC(=O)N1CCN(C[C@H](Cl)C#N)CC1	1985771801	NBCNTHVNHDATAR-SECBINFHSA-N	245.710	-0.092	50	10	BBGE	
CCN1[C@@H](C)CN(CCC(=O)NN)C[C@H]1C	1987303295	IMLZYEYPPPIHDD-AOOOYVTPSA-N	228.340	-0.219	50	10	BBGE	
C=CC1(O)CCN([C@H](C)CC(=O)NN)CC1	1990545944	RWKXJOWTGVUPNZ-SECBINFHSA-N	227.308	-0.232	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cncs1	1991330020	XATQVPZYYGVUTC-SSDOTTSWSA-N	238.077	-0.026	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1991682011	GGNKKIHORIPUKO-VGRMVHKJSA-N	245.710	-0.725	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CCOCC1	1992972244	VLSFUHKANXWIHN-HTQZYQBOSA-N	227.264	-0.251	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCCCNC1=O	2004250884	YAMGJSSYWYANIJ-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@@H]1CF	2004911298	FGMIYLGSLFTAAJ-MRVPVSSYSA-N	239.059	-0.515	50	10	BBGE	
C[C@@H]1C(CN(C)c2ncncc2B(O)O)[C@H]1C	2004915782	DBIOAIRFYUCSHY-YUMQZZPRSA-N	235.096	-0.505	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C[C@H]1C	2004921314	UPVPFGYQSYLPLU-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
Cc1ccnc(OC[C@H]2CCCO2)c1B(O)O	2004935815	QKSWXILGEZKUTG-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ncc(B(O)O)cc1F	2005013840	BOTBIOUESVCEMJ-HTRCEHHLSA-N	242.034	-0.163	50	10	BBGE	
Cc1nn(C[C@@H]2CCO[C@@H]2C)c(C)c1B(O)O	2008416526	AFJWRVCRGHTXDF-ZJUUUORDSA-N	238.096	-0.395	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1cc(C(=O)NN)no1	2011156768	UDHSNVRJMZSQNO-MUWHJKNJSA-N	240.263	-0.767	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)CCO1	2014925721	FAWDQGRRSCXSMB-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1cccnc1N1O[C@H]2C=C[C@H]1CC2	2021436648	HIEWAXJPQDTGTK-IUCAKERBSA-N	232.048	-0.400	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1CO	2025430750	AFTRUGRUTGZHTD-YTWAJWBKSA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1nc2ccccn2c1=O	2028049232	CCRROJVCDRKSHK-HTQZYQBOSA-N	247.258	-0.878	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)Cc2ccccc2B(O)O)C1	2038739648	CXCHFRVVYDZPIW-TXEJJXNPSA-N	249.119	-0.024	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@@H]2C1=O	2050247115	PHSAJWJTCKQYRJ-RQJHMYQMSA-N	249.274	-0.998	50	10	BBGE	
CN(CC1C[C@@H]2C[C@H]2C1)c1ncncc1B(O)O	2052467961	XHUVFOKWZCJERA-NXEZZACHSA-N	247.107	-0.361	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@]2(CCO2)C1	2052628168	WTVIMYZQDTYUBR-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)c1ncccc1B(O)O	2056384961	ROPNTDOLXVLQAS-KKZNHRDASA-N	248.091	-0.768	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]1C1CCC1	2079374244	IMGHTXXOILNLFV-GHMZBOCLSA-N	247.103	-0.036	50	10	BBGE	
Cc1cc(B(O)O)c(CN[S@](C)=O)s1	2209919813	AJAKMQQTEOHXMG-AWEZNQCLSA-N	233.123	-0.881	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838138	COVDGLNFIGRCMN-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
CN[C@@H](C)CNc1cc(B(O)O)c(C)cn1	2212603193	DDYNUHLHCOLEID-QMMMGPOBSA-N	223.085	-0.910	50	10	BBGE	
OB(O)c1ccnc(NCc2ccsn2)c1	2212613348	UUOSNTMKTFVIOG-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1CC[C@H]1C(=O)NN	2215773753	BYBNXZGMFCWZFJ-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23COC[C@@H]2C3)nc1	2217171534	BNZOHBSZTGPNPY-KWQFWETISA-N	234.064	-0.790	50	10	BBGE	
CCN(CCCCO)c1cc(B(O)O)ccn1	2217173738	UEWMOPFNNZVWBC-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
NCCC1CC(Oc2ncccc2B(O)O)C1	2217174074	SLKUIJXBUAZSNT-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC=CC1	2217178322	ULNDWKYWBLPSGV-UHFFFAOYSA-N	233.080	-0.955	50	10	BBGE	
Cc1cnc(N[C@H]2COC[C@@H]2C)cc1B(O)O	2217181900	WSWGHLQIUBFUFS-WPRPVWTQSA-N	236.080	-0.483	50	10	BBGE	
CCO[C@H](C)CNc1cc(B(O)O)c(C)cn1	2217184238	REFBXMLALADHBZ-SECBINFHSA-N	238.096	-0.093	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ncc[nH]1	2217204303	HYTBLEFHHQRSFG-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
C=CCOC(=O)NCCc1ccccc1B(O)O	2222323936	MXCJLSZNJOAOQY-UHFFFAOYSA-N	249.075	-0.179	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(B(O)O)cn1	2223653800	UTVFMQHPCBXKSI-URPMGSGRSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1ccc(=NCCN2CCCCC2)[nH]c1	2223673580	KWNUHJKGYRNIQD-UHFFFAOYSA-N	249.123	-0.919	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ncccn1	2223675649	YFDUQTJKZFFDDE-SSDOTTSWSA-N	245.051	-0.881	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CC[C@H](C1)N2	2223678853	ITGXQBISCMEAMP-MYJAWHEDSA-N	247.107	-0.544	50	10	BBGE	
NC[C@@H](CO)C(=O)N[C@H]1C[C@H](Cl)C1	2241657461	LFSNZSZMODHXCV-ACZMJKKPSA-N	206.673	-0.560	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2243349218	IAYGBQCZIUGBAM-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
C=CCNC(=O)c1cc(C)cc(B(O)O)c1	2243366816	JDUGORIERGLJNO-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2243391753	NWSMLVGWAHCPKC-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392214	RZWLMRYICYLPQJ-XSPKLOCKSA-N	227.069	-0.467	50	10	BBGE	
CC(C)(F)CNC(=O)c1sccc1B(O)O	2243407622	WEGJRIAFWANLSF-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
CCONC(=O)c1cccc(B(O)O)c1Cl	2243411674	YEKXPGLCRROBON-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243426797	MBQYVFYUAAPPAI-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
CN(CCOC(F)F)C(=O)[C@H]1C[C@H]1B(O)O	2243427440	VKTMTOMSAZUTKO-NTSWFWBYSA-N	237.011	-0.453	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2CCO2)[nH]cc1Cl	2245913726	XDOLGGUCGWBVPV-LURJTMIESA-N	242.471	-0.963	50	10	BBGE	
CC(C)(CCN1CC[C@]2(O)C[C@H]2C1)C(=O)NN	2246743644	OBDUDOXKDYQPIS-CABZTGNLSA-N	241.335	-0.151	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1(C)CCC1	2247737818	KICWBABEOQUPSV-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2247741525	BECCAPRLHYSUHH-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@H]1CO	2247787801	VBJHVBNWDPIFAN-GENCIFFESA-N	239.080	-0.921	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCN1	2247791272	MMFBXHWHSWBPPA-HLTSFMKQSA-N	240.112	-0.504	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CC[C@H]2C1=O	2247806110	LZIILFPTCUURJP-MDVIFZSFSA-N	237.064	-0.366	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C(=O)[C@H]1C[C@H](B(O)O)C1	2247809535	PYLVPIUKIQLCBK-HKBCETJISA-N	238.096	-0.846	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@@H]1C[C@@H]1B(O)O	2247809794	RKMJTIIISHWKRJ-ADJSSZMCSA-N	235.092	-0.133	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)C(C)(C)C1	2247842675	YLBCLNXXJJQKJD-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
O=C(C#CB(O)O)Nc1nc2ccccc2[nH]1	2247849115	VNQALNBKVOQITQ-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
O=C(NC[C@H](F)[C@@H]1CCOC1)C1(B(O)O)CC1	2247854793	IMNKCUOOGNTHGE-SFYZADRCSA-N	245.059	-0.516	50	10	BBGE	
CCN1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247859554	NUIWMCIXZKMGPJ-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NOCCF	2247871304	ZDQYNZRQJAWPIO-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)C(=O)C1(B(O)O)CC1	2247878152	LVPNFVZDTXYWKH-PSASIEDQSA-N	239.080	-0.512	50	10	BBGE	
C=C=CCC(=O)NCc1cccc(B(O)O)c1	2248395404	LDHSSYWJXMMXFY-UHFFFAOYSA-N	231.060	-0.286	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2248587033	KSSPSSCUQQQLAK-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
CC1(C)CCCN1C(=O)c1cc(B(O)O)co1	2249420374	STZNXTPTLPQPHX-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250702376	GJVXWOFNLWTYPT-WPRPVWTQSA-N	238.096	-0.809	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2255454373	OTPFEHGIFKATCG-MWLCHTKSSA-N	248.091	-0.464	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(F)ccc1B(O)O	2255498319	QCSUYBZWADEHRG-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
Cc1ccc(C(=O)Nc2nc[nH]n2)cc1B(O)O	2255514782	NKNDPSTTXZERCD-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1ccn(NC(=O)c2ccccc2B(O)O)c1	2255515425	XOAGTWWRELFCTN-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255521150	SMQCVWCJOCXGPB-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cncc(B(O)O)c2)C[C@@H]1C	2255522554	LKOUOIBVJDUUAN-DTORHVGOSA-N	248.091	-0.511	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1=O	2255529917	JDPBKJMUFZHKFS-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1cc(B(O)O)n[nH]1	2255550510	XZTYXPLZSGTSET-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1n[nH]cc1B(O)O	2255553901	FDIMZXNHUWGYBC-QXUHLLMWSA-N	249.079	-0.992	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2255582157	ULENVJOQEIANLY-VIFPVBQESA-N	247.059	-0.637	50	10	BBGE	
C#CC#CCNC(=O)c1ccc(B(O)O)cc1C	2255677286	FSNJLRFCNWHRJB-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccoc1B(O)O	2255679182	KTAVLIYIADTQFK-CBAPKCEASA-N	248.047	-0.619	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255731211	BSASWBDFWVGSPJ-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ncncc1B(O)O	2255735820	BLDFICAUANVVFD-GZMMTYOYSA-N	249.079	-0.925	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2CC23CC3)c(B(O)O)c1	2255735983	FEQUQNRMDVEMTA-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1c(C)cccc1B(O)O	2255736594	QIAIVNYDWMJWLT-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)C1(C)CC1	2257486453	HCGIPPUZGKZUQJ-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258127560	JXEGFTSERJWSAL-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166178	YGKXTGLHINSSMN-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1(B(O)O)CCC1	2298368179	RVYWVOADHNESRD-DJLDLDEBSA-N	239.080	-0.180	50	10	BBGE	
CCC[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371674	ROALFOVKASTVRV-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	2299331342	JYGDPDBWOIFCND-ZRUFSTJUSA-N	239.319	-0.376	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300193820	YOMUFZZBTKWLCZ-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
O=Cc1ccc(NC2(CO)CC2)cc1B(O)O	2301453343	UVSOLAJOZXYBJW-UHFFFAOYSA-N	235.048	-0.884	50	10	BBGE	
O=C(C[C@H]1CC[C@H]1C1CC1)NCC#CB(O)O	2303014579	AEAGXBCJXYYDOK-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
N#CCCC1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2315976951	JIFFEGPBOQZFNT-UHFFFAOYSA-N	247.063	-0.930	50	10	BBGE	
OB(O)c1cccnc1N1CCN[C@@H]2CCC[C@@H]21	2319236387	BJNFSYUXCLSXJY-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1cc(B(O)O)c(F)cn1	2320797419	XNQNZUOXCNDFLY-NSHDSACASA-N	248.066	-0.252	50	10	BBGE	
N#CCCNC=C(C#N)C(=O)N1CCNCC1	2324220534	WBQNYPSLQPWEJY-UHFFFAOYSA-N	233.275	-0.671	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2[C@H](O)C3)c1	2325334907	PZVIVPHDMWDDGL-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
NNC(=O)CCNCCN1CCCCCC1	58851390	IWKVBKLNOVBJBG-UHFFFAOYSA-N	228.340	-0.168	50	10	BBGE	
C[C@H](CO)N(C)Cc1cc(C(=O)NN)co1	125432808	CFAJJJFICDMONY-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
O[C@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1Br	169422911	PAROLDXMOUZNDL-SLPGGIOYSA-N	209.039	-0.598	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ccco1	203614121	QMQCVHKKSLRAED-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(=O)N(C)C	211882440	BVIJYKXNSXIXIA-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
COC(=O)N1CCCC[C@H]1C(=O)NN	214296694	LQOTVYCYSZIITO-LURJTMIESA-N	201.226	-0.403	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](CO)C1	219251519	UCUIVLQDNPAPSQ-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093309	OPVJULADPCTFFS-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
O=C1[C@H]2C[C@H]2C(=O)N1C[C@@H](O)CCl	225619122	LRSQFWXIVJLARJ-HCWXCVPCSA-N	203.625	-0.409	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@]1(O)CCOC1	227128226	GGUOYSXWQPXPAN-SVRRBLITSA-N	207.657	-0.119	50	10	BBGE	
CC[S@@](=O)CCNS(=O)(=O)CCCl	232301472	XDIUYXPARKGGLA-GFCCVEGCSA-N	247.769	-0.087	50	10	BBGE	
CO[C@@H]1CN(CCCCC(=O)NN)C[C@H]1OC	234788755	PABZHYVEIVYICB-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)C(C)(C)OC(=O)NNC(=N)N	238048823	QHORBKZONKXRJG-UHFFFAOYSA-N	202.214	-0.522	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNC(N)=S	300931318	CYTBDCGEMXJEQQ-RITPCOANSA-N	217.294	-0.477	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCCl)C[C@H]1O	307082438	PYFVARAXCKECBA-NKWVEPMBSA-N	227.713	-0.132	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C(=O)NN)C(C)(C)C	308316263	VPUDCVZSPHTLKH-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
CS[C@H]1CCN(CCC(=O)NN)C1	382940801	MRPPPHQTNUHEGB-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1cc(C(=O)NN)no1	384990636	CDFWFRSLTLPJTK-NKWVEPMBSA-N	240.263	-0.767	50	10	BBGE	
CC(C)N1Cc2cc(B(O)O)ccc2C1=O	390064781	YKDNXYQNSZCGSY-UHFFFAOYSA-N	219.049	-0.269	50	10	BBGE	
O=C(O)c1sc2ccc(O)cc2c1B(O)O	396374135	BEUCENPAWDGXJT-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC(=O)NCc1cc(B(O)O)ccc1F	404986738	PDFCFQIRJUSODS-UHFFFAOYSA-N	225.028	-0.468	50	10	BBGE	
CC(F)(F)CC(=O)Nc1cc(B(O)O)ccn1	404988624	YPYOPEAPDMCWLR-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1CCOC1	404998210	IBYDAGJJHFAQPP-SNVBAGLBSA-N	249.075	-0.981	50	10	BBGE	
Cn1cnc2cncc(/C=C/B(O)O)c21	575469040	UZHWPUSBVXXOTF-NSCUHMNNSA-N	203.010	-0.007	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CCC(=O)N2)CC1	692090706	LMPQLNICPCHALM-VIFPVBQESA-N	223.276	-0.385	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2CCNCC2)CC1	692122419	ASSBQLDEXJYLNW-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@]1(C)CO	698216503	SOCQVRYQWKXVFM-ACLDMZEESA-N	221.684	-0.042	50	10	BBGE	
COc1ccc(NC(=O)NCB(O)O)cc1	701946228	VRZLNATUMBHSQD-UHFFFAOYSA-N	224.025	-0.171	50	10	BBGE	
NS(=O)(=O)[C@@H]1CCCN(C(=O)CCl)C1	707511624	RVTGTRXYBIWUSD-ZCFIWIBFSA-N	240.712	-0.495	50	10	BBGE	
CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)N	707534868	LBZWTZDKXDYCOJ-ZETCQYMHSA-N	237.325	-0.718	50	10	BBGE	
CCOCC(=O)N1CCc2c(B(O)O)cccc21	712137910	XWJXIMCEYQVGLR-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	713250667	YZWMOHYGMBOFKR-WCBMZHEXSA-N	245.087	-0.135	50	10	BBGE	
NCCS(=O)(=O)NCC(Cl)Cl	722268392	GRRCMPWHZSJYKH-UHFFFAOYSA-N	221.109	-0.332	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COCCO1	730592123	MQKNCHLSIRSVRB-BWZBUEFSSA-N	228.248	-0.795	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1COCCO1	730592126	MQKNCHLSIRSVRB-PRJMDXOYSA-N	228.248	-0.795	50	10	BBGE	
N#CSCCCNC(=O)[C@@H]1COC(=O)N1	854359000	AGQRIEGLDGXMET-LURJTMIESA-N	229.261	-0.185	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)c1cnnn1C	888082223	VSCPSLNACATNEM-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNc2cnnn2C)C1	897844970	BPPMCIWKULCVKZ-RQJHMYQMSA-N	225.252	-0.317	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1cnn(C)c1	900748267	ZVYVCMLCDBMSOU-VEMNSZJBSA-N	238.247	-0.882	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2	1119864936	TXWDGAOVDADNTE-DSYKOEDSSA-N	211.221	-0.710	50	10	BBGE	
CC(C)(C)C#CC(=O)NNC(=O)c1cnn[nH]1	1136677125	DQYSVKRMLWYPEC-UHFFFAOYSA-N	235.247	-0.385	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)c1ncon1	1289418447	WAZQKSVATAKQDA-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
COCC#CC(=O)NNc1ncnc2[nH]cnc12	1306642910	HDZXPJYBXXMYNA-UHFFFAOYSA-N	246.230	-0.554	50	10	BBGE	
CS(=O)(=O)NNC(=O)Cc1ccccn1	1318296122	YTOCPMXEYLGRFJ-UHFFFAOYSA-N	229.261	-0.796	50	10	BBGE	
N#CCC(=O)NNC(=O)Cc1ccccn1	1342878276	QMTAFUSGSHLTKW-UHFFFAOYSA-N	218.216	-0.315	50	10	BBGE	
CON=CC(=O)NNC(=O)NC(C)C	1464572096	DGMIIGSABJPMPM-UHFFFAOYSA-N	202.214	-0.643	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1cccnn1	1466330088	PMTASXWXFVAKTO-SSDOTTSWSA-N	226.236	-0.949	50	10	BBGE	
C[C@@H](C#N)NC(=O)c1cccc(B(O)O)c1	1556203269	IXSDVJJLOBKCJI-ZETCQYMHSA-N	218.021	-0.992	50	10	BBGE	
CN(NC(=O)Cc1ccc(O)c(O)c1)C(N)=O	1596556114	YWTCZQVIVNUACA-UHFFFAOYSA-N	239.231	-0.318	50	10	BBGE	
CCc1nnc(C(=O)NN(C)C(N)=O)s1	1632039149	DHAYVTOECLJOSP-UHFFFAOYSA-N	229.265	-0.244	50	10	BBGE	
COC[C@H](C)NC(=O)NNC(=O)c1ncon1	1684841468	OWEFDHZLEHASND-YFKPBYRVSA-N	243.223	-0.952	50	10	BBGE	
OC[C@]12C[C@H]1CN(C[C@H](O)CCl)C2	1883942740	KVUJUNARAUNDFZ-DJLDLDEBSA-N	205.685	-0.100	50	10	BBGE	
O=C1CCNC(=O)N1C[C@H](O)CCl	1884227735	RGMRUCHOKLOVEM-RXMQYKEDSA-N	206.629	-0.472	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1CCN1C	1888042797	KTAXESKKKNPTGT-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CC(CO)(CO)CNC(=O)[C@@H]1C[C@@H]1Cl	1893446611	PJCFLOIPOITFQN-RQJHMYQMSA-N	221.684	-0.279	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCNC[C@@H]1CO	1893453129	KVMXIAWCTVKLKI-PRJMDXOYSA-N	218.684	-0.594	50	10	BBGE	
CO[C@@H]1CC(O[C@@H](C)C(=O)NN)C[C@H]1OC	1894807121	QMOIRRQIEHATRL-NBEYISGCSA-N	232.280	-0.426	50	10	BBGE	
CC(C)N1CCN([C@H](C)CC(=O)NN)C1=O	1901275096	CZQLNRPWSIRIOD-MRVPVSSYSA-N	228.296	-0.099	50	10	BBGE	
CC(C)=C(CN(C)[C@@H]1CCN(C)C1)B(O)O	1901618276	SSCMAOORIGQWMP-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](CO)C(C)C	1902088423	UDLRBEALFPFERK-UWVGGRQHSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCCCC(=O)NN	1914255493	NLUJRRFEKCOJEA-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)CNC(=O)NNC(=O)C(F)(F)F	1923414980	ZLEONCXDLQAVIG-UHFFFAOYSA-N	243.141	-0.948	50	10	BBGE	
CN(C)C(=O)CSC[C@H]1C[C@@H]1C(=O)NN	1927917761	MPXZJORVLVBQOB-RQJHMYQMSA-N	231.321	-0.566	50	10	BBGE	
C[C@H](CN1C[C@@]2(C)C[C@H]1CO2)C(=O)NN	1927930124	IHUBBHJUEANKQF-KHQFGBGNSA-N	213.281	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1927930126	IIEMJQPAAFZYPS-OYNCUSHFSA-N	213.281	-0.382	50	10	BBGE	
OCC1(CO)CCCCN1C[C@H](O)CCl	1928369002	ZTVHLTAOBDCHOK-SECBINFHSA-N	237.727	-0.205	50	10	BBGE	
C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Cl	1928697218	XBPMHRBOFACDMY-BQBZGAKWSA-N	229.671	-0.241	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1COC[C@H]1CO	1928736508	WAQJVHSXYZKITF-PRJMDXOYSA-N	221.684	-0.015	50	10	BBGE	
CC[C@H](CO)N(C)CC1(C(=O)NN)CC1	1931266755	JUSKXWOICZGDBO-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@@]1(CO)CCN1CCCCC(=O)NN	1932966990	IMWZRYBFFCZOCM-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@]12CCOC2	1935061857	YZEXUUBADLORMG-VXNVDRBHSA-N	200.238	-0.974	50	10	BBGE	
C[C@H](CN1CC(=O)OC(=O)C1)c1ncon1	1935685385	KJFWIHKEMIYDAJ-ZCFIWIBFSA-N	225.204	-0.442	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094303	LXMGLGRFUZZMKA-LPEHRKFASA-N	227.308	-0.419	50	10	BBGE	
CCNCCN(CC)CC(=O)NNC(C)=O	1937733270	BZGMNNSAIBVONG-UHFFFAOYSA-N	230.312	-0.915	50	10	BBGE	
NNC(=O)C1(CN2CC3CC2(CO)C3)CC1	1938248902	MUMMRFXOXAPVPW-UHFFFAOYSA-N	225.292	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCC(=O)N(C)C	1940302015	DZTNMXXMMDOBRO-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
COC1(C)CCN(CCOCC(=O)NN)CC1	1941784735	UFWJFOYNYSEYPZ-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CON(CCn1cc(C(=O)NN)nn1)C(C)C	1942608111	NSINVVBRQFVOPV-UHFFFAOYSA-N	242.283	-0.847	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCCC[C@H]1O	1945883183	VFEOYRRYNBFCEP-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]3COC[C@@H]32)CC1	1945911998	FTKIQEUCQNFLBA-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CN1CCC(CCn2cc(B(O)O)cn2)CC1	1946085840	KKBQFWUIWYYZCZ-UHFFFAOYSA-N	237.112	-0.705	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C[C@H]1C(F)(F)C2	1950057808	GINRFUBHJMNWMW-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
O=C1CN(C[C@@H](O)CBr)CCN1	1953619032	YWPWYJBSBQKIMC-LURJTMIESA-N	237.097	-0.826	50	10	BBGE	
CP(C)(=O)[C@H]1CC[C@](N)(B(O)O)C1	1954505362	FCDLXXSLNQOCLR-NKWVEPMBSA-N	205.003	-0.129	50	10	BBGE	
C[C@@H]1C[C@@H](OCCCC(=O)NN)CO1	1956932848	YVKKVJCQHIIHEI-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@@H](O)C1	1960249318	URTJBLANRYTVNV-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
Cn1cc(C(=O)NN)c(COC2CC2)n1	1961179543	XLBSBFHWEYNMRG-UHFFFAOYSA-N	210.237	-0.297	50	10	BBGE	
C[C@H](CN1C[C@H]2CCO[C@H]2C1)C(=O)NN	1961582468	GQMFZLGKQAWECR-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)COc1ccc(CC(N)=O)cc1	1968304843	PRBJDACTCFPPAN-UHFFFAOYSA-N	223.232	-0.917	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)C(F)F)CC1	1974890635	HENXCNBIWKGXAU-SSDOTTSWSA-N	220.219	-0.037	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]1C2	1981423887	KUVVAILESCMDTQ-IUCAKERBSA-N	218.065	-0.250	50	10	BBGE	
COC1CN(c2ncc(B(O)O)cc2Cl)C1	1981468839	IZPBIXSCFMAHMF-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
COCC1(N(C)c2nc(B(O)O)cs2)CC1	1981469337	QPNLCZDELCCYPU-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
O=C(CCCCl)N1CC2(C1)OC[C@H](O)[C@H]2O	1986229862	CFGUOJXMHQKXOW-IONNQARKSA-N	249.694	-0.662	50	10	BBGE	
C[C@H](O[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	1986236225	QVEDJHFYYRBWJG-FXQIFTODSA-N	225.252	-0.623	50	10	BBGE	
O=C([C@H](Cl)[C@@H]1COCCO1)N1CCOCC1	1991788786	HXDTWTVEYSAZIN-DTWKUNHWSA-N	249.694	-0.132	50	10	BBGE	
C=C(CN1CCC[C@@H](S(C)(=O)=O)C1)B(O)O	1992159779	OJSIHMKCOBJXEX-SECBINFHSA-N	247.125	-0.936	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1[C@@H]2CO	1994019832	KBLWPMGGQVLIIR-BBBLOLIVSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2ccnc(B(O)O)c2)[C@@H]1C	1998448910	UMHWPMYIBMTSPX-LYIWLLOFSA-N	234.064	-0.398	50	10	BBGE	
COC[C@]12CN(C[C@H](C)C(=O)NN)C[C@@]1(C)C2	2001040139	MSMYJUBKEJHXEL-WCQGTBRESA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CC(C)(C)CN1c1ncc(B(O)O)cn1	2004911588	IVIOEYDUMHBCKI-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](F)C[C@@H]2C)n1	2005018289	RBTVSQLMNBVXKG-XPUUQOCRSA-N	239.059	-0.598	50	10	BBGE	
CO[C@@H]1[C@H]2CCN(C(=O)C(=O)NN)[C@@H]2C1(C)C	2008773393	UCGFWFZNKXUHKQ-BIIVOSGPSA-N	241.291	-0.752	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	2011900303	KWSUZPUHPCHKRO-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1C[C@@H](n2cncn2)C1	2012113387	PFVAXQQHMTYPST-OLQVQODUSA-N	247.205	-0.419	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ncc(F)cc1B(O)O	2014928468	JJGXWRJXTRGIRR-MUWHJKNJSA-N	241.027	-0.686	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](c2ccncc2)C1	2018126821	RMJPTABGPIGWKF-SECBINFHSA-N	234.259	-0.613	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccccc1B(O)O	2022196105	GVCXZOPQEXECDH-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
NNC(=O)C12COC(CO[C@H]3CCOC3)(C1)C2	2023838569	OPQDMLGJOUMHOS-PUSIOWJLSA-N	242.275	-0.669	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1ccncc1B(O)O)C2	2026850128	VUFSROMAWCOLPL-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
Cc1nc(N(C)C[C@@]2(C)C[C@H]2C)ncc1B(O)O	2052552205	PIHMWDUTDOOIDU-PRHODGIISA-N	249.123	-0.053	50	10	BBGE	
CCc1cc(B(O)O)cc(C=O)c1C#N	2060238800	RNGOQWGOZRILDO-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CN(C)C(=O)c1c(F)cc(B(O)O)cc1F	2081213878	GTWCYXZGXSBOIL-UHFFFAOYSA-N	228.991	-0.654	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@H]32)n1	2085930473	XVYIADAWLNUUNT-OPRDCNLKSA-N	248.091	-0.049	50	10	BBGE	
CCN(CCCC(=O)NN)[C@H]1CCC[C@H]1O	2210162907	CFTWZWJTQMKRRH-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@H]1CC[C@H]1C(=O)NN)C2	2215771213	GVVUEDTZJIPXHB-KLBPJQLPSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccnc1[N+](=O)[O-]	2215775392	GQJSUKJTHQWUFK-RQJHMYQMSA-N	239.235	-0.193	50	10	BBGE	
CCOC(=O)[C@H](C)Nc1ccc(B(O)O)cn1	2217172007	GMZRQABQABNDSC-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
C[C@@]1(C#N)CCN(c2ncccc2B(O)O)C1	2217177224	GZHQBYGVNDXFEN-NSHDSACASA-N	231.064	-0.499	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1ncccc1B(O)O	2217177234	HBRUKPLFJSLGMU-NSHDSACASA-N	230.076	-0.391	50	10	BBGE	
OB(O)c1ccnc(NCCNC2CC2)c1F	2217180927	MAHCLNCBAJYMPO-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
N[C@@H]1CC12CC(Nc1ccc(B(O)O)cn1)C2	2217184623	VAYMEBYZPBVNGW-INWMGODYSA-N	233.080	-0.947	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@H]2CCN2)cc1B(O)O	2217184746	VWPKYESFZVFKKG-WCBMZHEXSA-N	236.080	-0.801	50	10	BBGE	
CC(C)(C)[C@@H](N)COc1ccc(B(O)O)cn1	2217185547	YZLBGWITUZULBO-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
C[C@]1(O)CCCN(c2cc(B(O)O)ccn2)C1	2217204194	GNSCUWWEODGSDI-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CC1(C)CC=CCN(c2ncc(B(O)O)cn2)C1	2223675669	SFIGBPLYQLZISW-UHFFFAOYSA-N	247.107	-0.051	50	10	BBGE	
C[C@H](F)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2241480494	LHRLRRJUYNZUMK-LYFYHCNISA-N	203.022	-0.286	50	10	BBGE	
OC[C@@H](O)[C@H]1CCN1CCOCCCl	2241811097	LQVNDNDUJQHRFI-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
CCOCCOc1cc(B(O)O)cnc1C	2242873311	MQWDPYGTSPFEPW-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)o1	2243348972	CRZIXBPILCJYIS-SSDOTTSWSA-N	221.021	-0.758	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1csc(B(O)O)c1	2243357647	ZLIKBWASUNTEHH-QMMMGPOBSA-N	237.089	-0.431	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)ccc1C	2243366577	FGWKUHMLTGFZAS-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
Cc1ccnc(C(=O)NC(C)C)c1B(O)O	2243378085	MHVHFKULRDGSLY-UHFFFAOYSA-N	222.053	-0.792	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCO[C@H]21)C1CC(B(O)O)C1	2243391924	PBTNNNLFAUHXFO-CDBVJKSLSA-N	225.053	-0.857	50	10	BBGE	
C[C@@H](O)C[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396180	ISUKHMAJCVBWJC-PZYMCFGQSA-N	229.085	-0.485	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCCC12CC2	2243400151	WOHGKKVQSZEFLR-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ncsc1B(O)O	2243408575	PSKGXCYWPGTRSN-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]2CC[C@H]21)B(O)O	2243412636	QJKKWCOAGIPLGE-RKDXNWHRSA-N	245.109	-0.631	50	10	BBGE	
Cc1sc(C(=O)NCC#N)c(C)c1B(O)O	2243413228	BROOXSMBSDLRIE-UHFFFAOYSA-N	238.077	-0.702	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC(CO)C1	2243420074	MEOOJRJQXOGHOL-ABIFROTESA-N	227.069	-0.921	50	10	BBGE	
CS(=O)(=O)CCCN1CCC(B(O)O)CC1	2244179457	BNYLIOQECSFKTO-UHFFFAOYSA-N	249.141	-0.640	50	10	BBGE	
C#CCCCNC(=O)c1cocc1B(O)O	2244205134	GHMFXVJMLVWYQK-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
C=CCCCN(C)C(=O)c1coc(B(O)O)c1	2247732125	CCHFUQIHRMHEFL-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2247743668	HJENZNVMSBKLLL-HQJQHLMTSA-N	234.064	-0.824	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	2247744151	OKEDUFIVVKJYLV-VLEAKVRGSA-N	231.060	-0.718	50	10	BBGE	
C=C1CCN(C(=O)c2occc2B(O)O)CC1	2247750964	QPQMWGIWEXWWOP-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C=C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2247751563	ZADHUPYSHNTGFJ-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1(C)CC1	2247760475	IRKCTYABWSKFOM-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@@H]1CNCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786688	FDGDHRULOLANTF-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787116	LANGQYLIASFUKG-RGOKHQFPSA-N	240.112	-0.375	50	10	BBGE	
NCc1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2247806937	PAGMWCOKDVFKPS-ZJUUUORDSA-N	234.064	-0.053	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCNC1	2247806980	PKVGBGLQGUYRQB-QXEWZRGKSA-N	240.112	-0.645	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247807967	SKSUOZZGGUFXGN-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
CC[C@@H]1CNCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808649	VUWFHUNDFXSJIV-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247808714	MBMXMXGXHQLVEH-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)C1CC(B(O)O)C1	2247809600	ZWZVALKBYNKBFH-RTBKNWGFSA-N	241.096	-0.483	50	10	BBGE	
CC[C@H](CCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810126	UXRBMSKLXOPCFM-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
CN(C[C@H]1C[C@]1(C)C(F)F)C(=O)C#CB(O)O	2247849841	GBZPDKWWKLIVIB-XCBNKYQSSA-N	245.034	-0.249	50	10	BBGE	
CC(C)c1cnc(CNC(=O)C#CB(O)O)o1	2247851497	ZGQRUGXMYHTGCQ-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)[C@H]1CO	2247853576	OGQPMIRFRQVPAM-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ncccc1B(O)O	2247866687	QKDKYZLZQAITTL-MRVPVSSYSA-N	234.064	-0.687	50	10	BBGE	
O=C(NC1([C@@H]2CCNC2)CC1)C1(B(O)O)CC1	2247872825	ZDOPJSRCXPSNOC-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
O=C(N1C[C@@H](CO)[C@@H](F)C1)C1(B(O)O)CCC1	2247877246	DXLDXJYQOWBGML-YUMQZZPRSA-N	245.059	-0.828	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CN1)[C@@H]1C[C@H]1B(O)O	2247886560	CSKQWFQMYWKXJS-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](N(C)C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2247887779	RPOBZDURCRLMFW-IWSPIJDZSA-N	243.112	-0.143	50	10	BBGE	
COCCC1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898156	AUFKYUCLJLZTOT-BMNUFHGDSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@]2(CCOC2)C1	2247900412	WNBCHTJBIBXGIY-WCABBAIRSA-N	239.080	-0.512	50	10	BBGE	
C[C@@]1(CN)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905984	WMMVIZINWQUKJP-NGZCFLSTSA-N	240.112	-0.421	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2248586984	KGGGAKQBQWERKN-GJMOJQLCSA-N	241.052	-0.781	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]1C1CCC1	2255454192	VPVGDWMQAMAKHC-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(NCCc1ncccn1)[C@H]1C[C@@H](B(O)O)C1	2255555498	BPGLJJJOFOIORQ-DTORHVGOSA-N	249.079	-0.612	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1nccc(C)c1B(O)O	2255581307	NSTZSBNKABMMMM-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
O=C(NCc1ccco1)c1ncccc1B(O)O	2255717486	ZDODLOGYGLZAHZ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2c[nH]nc2B(O)O)C1	2255787673	BLXHMZHSEXNFGB-UHFFFAOYSA-N	249.079	-0.874	50	10	BBGE	
Cc1cncc(COc2ncncc2B(O)O)c1	2264355168	TXHRLEYJCSTEHC-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CC[C@H]1CCNC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369343	RGUURIYXTIFBOG-QCLAVDOMSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC[C@H]1CCCCCO1)[C@H]1C[C@H]1B(O)O	2298375758	YOGPUEIAUSHLOO-KXUCPTDWSA-N	241.096	-0.075	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@H]1C[C@H]2O	2300194847	TWKZWTSQZADKBI-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN)CNc1ccc(B(O)O)cc1C#N	2301341395	OPWWAZMVEOREEP-MRVPVSSYSA-N	233.080	-0.755	50	10	BBGE	
CC[C@@](C)(CN1CC(OCCO)C1)C(=O)NN	2303420150	PXOZGOQNWVFSFY-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303848118	UGHHVQNDJRDULC-HZGVNTEJSA-N	240.043	-0.510	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1cc(B(O)O)co1	2313082110	XJKTYHLQOAAIAM-JEZHCXPESA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1cocc1B(O)O	2313082610	SAZQUZDZUJGXLW-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
C=CCNC=C(C#N)C(=O)N[C@@H](C)C(=O)O	2324972431	BOPLTCRAGHSYHB-ZETCQYMHSA-N	223.232	-0.241	50	10	BBGE	
O=C1CN(C(=O)CCCCl)CCN1	22167208	RVTMDLMQRUEJKP-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
CC[C@H](N)CSCC(=O)NNC(C)=O	85349361	AYFZHMHUOZZWKU-ZETCQYMHSA-N	219.310	-0.376	50	10	BBGE	
CN1CCCN(CC(C)(C)C(=O)NN)CC1	86597664	WACUWSKPIQANIK-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CN(C)NC(=O)CNC(=O)c1ccc(N)cc1	106071854	AJPNIZSEZHEGQK-UHFFFAOYSA-N	236.275	-0.409	50	10	BBGE	
CC[C@H](C)N(C)CCn1cc(C(=O)NN)nn1	110573228	HNMRQFFVNSHIAJ-QMMMGPOBSA-N	240.311	-0.388	50	10	BBGE	
CC(C)CN(CCCCC(=O)NN)CC(N)=O	110588579	UPNLAXHNTZGIGQ-UHFFFAOYSA-N	244.339	-0.410	50	10	BBGE	
O=C1C[C@H](I)CNN1	206457679	LFXQJUFAMMNFBN-VKHMYHEASA-N	226.017	-0.186	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](N(C)C)C1	227699288	AZYBFILEFNAARM-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCO1	232320937	WCLNFIUFBZHKML-NSHDSACASA-N	249.075	-0.425	50	10	BBGE	
C[C@@]1(O)CCN(CCCCCC(=O)NN)C1	235416703	TTXSEJCIOWCFFP-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
CC(=O)c1cc([N+](=O)[O-])sc1B(O)O	238135889	DDNOLVHUSIKANH-UHFFFAOYSA-N	214.995	-0.461	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1CC[C@H](C(=O)NN)O1	251767870	MFPXGIXGVREATI-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NCc1ncnn1C	255545747	DMYVVNAZOLHBLH-YVMONPNESA-N	235.247	-0.125	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2c(c1)OCO2	258981886	JTBVRCMYCQXAET-QMMMGPOBSA-N	209.205	-0.595	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)C[C@H]1C	300354889	KHYJLZFULGKJBQ-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)CCCO1	300851127	HVTXITKNJIIDRM-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC(O)(C(N)=O)CC1	306230954	ABNDIQLDRSSRKS-LURJTMIESA-N	234.683	-0.548	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@H](CO)C1	306873675	YCGPSXFTKLQSRH-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
O=C(O)Cc1cc(Cl)ccc1B(O)O	307024682	WLUJESRLIMQFGP-UHFFFAOYSA-N	214.413	-0.353	50	10	BBGE	
CCN1CCCN(C[C@H](C)C(=O)NN)CC1	307853269	BVZXZEJDDZOZQF-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@H]1CCOC1	309012997	PTPQCGNEQYBUMK-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc([C@H](C)Cl)nn1	309206615	QDXPIRKRCPYUGL-YFKPBYRVSA-N	245.670	-0.255	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CCOCCO	310275988	SZOXCUKOGAOUTQ-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
CO[C@H](CC(C)=NNC(N)=O)OC(C)=O	383916402	DHYQSTIGDHPBKN-ZETCQYMHSA-N	217.225	-0.044	50	10	BBGE	
O=Cc1c(CO)ccc2sc(B(O)O)cc12	396338070	OVJKVVVYIZIRER-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOC[C@H](O)C1	399884394	GBLYUVRALGZRQB-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
CCCC(=O)NCc1sccc1B(O)O	405020194	AOUHFASLUWNSQZ-UHFFFAOYSA-N	227.094	-0.156	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(F)c1B(O)O	575707903	HMFNFXWVNPDVMH-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@@H]1NN(C)[C@@H]2[C@H](Br)NN[C@@H]12	605681875	CBAOCGNEPKVESI-OMMKOOBNSA-N	221.102	-0.609	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](N)C2CC2)CC1	692179021	ROEGAXSPWZOJMK-VIFPVBQESA-N	223.276	-0.399	50	10	BBGE	
NNC(=O)c1occc1CN1CCNC1=O	696379508	MTQRVMZXJPEUJZ-UHFFFAOYSA-N	224.220	-0.592	50	10	BBGE	
CC(C)[S@](=O)Nc1cccc(B(O)O)c1F	702061456	MQZZMRRMPVQROD-INIZCTEOSA-N	245.084	-0.011	50	10	BBGE	
C[C@@H]([C@@H](C)O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452896	VSXIWNNLFKWJNB-YWIQKCBGSA-N	213.233	-0.328	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706303534	SBDZHOOYKUVKKH-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CSC)C1	706629972	BTAWMDWEJGADLQ-RKDXNWHRSA-N	247.364	-0.324	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1cccc(B(O)O)n1	707447768	LXXNXEQSMDFSSC-ZETCQYMHSA-N	237.068	-0.319	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708095585	VNCJWZNDNUCPPH-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
CN(CCOCCCl)[C@H]1COC[C@@H]1O	709228305	ZBYXMHIIWIIAKN-IUCAKERBSA-N	223.700	-0.067	50	10	BBGE	
O=C1OC(=O)[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]12	709983415	VWVGYIAZOGCAKH-QWWZWVQMSA-N	237.133	-0.293	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)[C@@H]1CCCCO1	711982901	KDSNTHCYHJDCGA-YUMQZZPRSA-N	229.280	-0.702	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC2CC2)O1	713292327	YOYWMFURGMINAB-HTQZYQBOSA-N	200.238	-0.297	50	10	BBGE	
CC(C)NC(=O)NCc1ncc(B(O)O)s1	714590420	SPLANSHFZFDCMG-UHFFFAOYSA-N	243.097	-0.970	50	10	BBGE	
C[C]1CC(CNC(=O)C(=O)NN)=CS1	725586251	NFDRBLWKERJDIM-UHFFFAOYSA-N	214.270	-0.335	50	10	BBGE	
CON=CC(=O)NNC(=O)c1ncccc1C	809733174	PUJNXDKPBURDCH-UHFFFAOYSA-N	236.231	-0.217	50	10	BBGE	
COc1nccnc1NNC(=O)[C@@H]1C[C@H]1OC	822871504	KLEMQLBJSXPMEO-RNFRBKRXSA-N	238.247	-0.037	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2ncc[nH]2)CCCO1	854690221	SFIBKADNUHDOJM-SNVBAGLBSA-N	238.247	-0.260	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	1290392421	WVYPRHIKYURBTN-ZETCQYMHSA-N	224.264	-0.234	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CCCF)nn1	1328439194	PWXICDQSXDNKPB-UHFFFAOYSA-N	229.215	-0.674	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC1(F)F	1443723093	CASZZPVTCZTTQS-ZCFIWIBFSA-N	244.201	-0.245	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](O)CCSC	1464487369	RYECMTYXSXEKIY-LURJTMIESA-N	235.309	-0.549	50	10	BBGE	
COC(=O)[C@@H]1CC[C@H](C(=O)NN(C)C(N)=O)C1	1466167245	AQYQMBQYAMMMPT-NKWVEPMBSA-N	243.263	-0.383	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ccncn2)N1	1556681357	DLVQKRAAHVVSFL-ZCFIWIBFSA-N	221.220	-0.802	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cccc(B(O)O)c1	1875775967	RULOLWKIDRKKNQ-VROVMSAKSA-N	233.076	-0.249	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O	1877848623	KGTVUHLCGHKOJF-VWDOSNQTSA-N	216.668	-0.197	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@@H]1C[C@H]1Cl	1883639718	OXEBUAUMALASJM-PHDIDXHHSA-N	204.657	-0.936	50	10	BBGE	
CCC[C@H](OCCN(C)C)C(=O)NN	1884724280	FSHKURGJECETKF-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC([C@H](O)CO)C1	1887281288	NXXNJDXZUDLYRD-HTRCEHHLSA-N	221.684	-0.185	50	10	BBGE	
CO[C@@H]1CCN(CC2(C(=O)NN)CC2)[C@@H]1C	1896021487	AADPBATXZTXXJY-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896930446	UNBFFHWRFKAJMU-YUMQZZPRSA-N	249.336	-0.358	50	10	BBGE	
CN(NC(=O)c1cccnc1F)S(C)(=O)=O	1901349432	ZVGQNURICJPEBV-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(C)(C(N)=O)C1	1914231933	JRVWSFLEADFVME-RXMQYKEDSA-N	204.657	-0.053	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)[C@H](N(C)C)C1	1928376637	HWISEICOCBCDGZ-IWSPIJDZSA-N	234.727	-0.005	50	10	BBGE	
Cc1nc(SCC2(C(=O)NN)CC2)n[nH]1	1931266872	LKSXSFBBIUCPLK-UHFFFAOYSA-N	227.293	-0.025	50	10	BBGE	
C[C@]1(F)CCN(CCOCC(=O)NN)C1	1932096635	PUVHUAIDOLSTGJ-VIFPVBQESA-N	219.260	-0.573	50	10	BBGE	
C[C@]1(C(=O)NCB(O)O)C[C@@H]1C(F)(F)F	1935093300	OWJRHEPSJDMUSS-NJGYIYPDSA-N	224.975	-0.297	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@@H]1C[C@H]1C(=O)NN	1936091635	QRILQAHGEUWLQW-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CN(C(=O)Cn1cnnc1)[C@H]1COC[C@@H]1Cl	1937145311	JLWBTXRPBDGCRS-YUMQZZPRSA-N	244.682	-0.257	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@H]1C	1941090465	ZYHKAPYSOFFFNE-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(=O)NC(C)(C)C1	1945294275	TVCJAKYVVVEFOT-SECBINFHSA-N	242.323	-0.789	50	10	BBGE	
CC(C)N1CCN(CC2(C(=O)NN)CC2)CC1	1945882056	BEZQRTZJUPPXPU-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1CCOCC(=O)NN	1950222231	CUBLQRGBLPJHFG-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1COC[C@@H]1O	1954239038	LQTLBSFLVVPQKC-ACZMJKKPSA-N	207.657	-0.120	50	10	BBGE	
CCN1CCN(C[C@H](O)CCl)CC1=O	1956255783	DFCSNWGPUKPAMK-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1CC(=O)NN	1956957150	JVASNGGKGJJWBC-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@H]2[C@H]1C2(F)F	1958117179	ORBFOZKSWXOUDD-VQVTYTSYSA-N	220.219	-0.109	50	10	BBGE	
CC[C@@H](Cl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1961463543	YEVDKURKHWJPJO-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
CCC[C@@H](C)Oc1ncc(B(O)O)cn1	1961713569	UDTUEWLTZQXSLE-SSDOTTSWSA-N	210.042	-0.276	50	10	BBGE	
CN(C(=O)C(=O)NN)C1(C)CCOCC1	1962436341	KZAMANNZGKZATE-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC2(CNC(=O)N2C)C1	1974909595	TVNLPCHAYMSJHA-LURJTMIESA-N	231.683	-0.150	50	10	BBGE	
Cn1[nH]nnc1=NCC12CC(CCl)(CO1)C2	1976414081	XVOPMASGYQTUHY-UHFFFAOYSA-N	243.698	-0.168	50	10	BBGE	
NC(=O)NC1CN(c2nnc(CCCl)o2)C1	1977997235	XWAQQNKEGJDTDJ-UHFFFAOYSA-N	245.670	-0.292	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@H](O)CC)C1CC1	1978306386	WRHVHLJHXHNAJX-ZJUUUORDSA-N	229.324	-0.010	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CC12CC2	1979192177	WPTITMKJMJCORG-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
Cc1cnn(C2CN([C@@H](C)C(=O)NN)C2)c1	1980791921	YCHTUDMVVQZJAE-QMMMGPOBSA-N	223.280	-0.573	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2C[C@@]2(O)C1	1980975708	AEHZADSBGGGFMN-FTYOSLGDSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	1980981285	VEDAUIIYPILTSE-IQJOONFLSA-N	227.308	-0.398	50	10	BBGE	
CN(c1nnc(CCl)o1)[C@@H]1CC(=O)NC1=O	1981040389	DKIDHKPVTZPESH-SCSAIBSYSA-N	244.638	-0.340	50	10	BBGE	
C=CC[C@@H](C)Oc1ncnc(C)c1B(O)O	1981421344	YMCFEBIZRLPTOS-SSDOTTSWSA-N	222.053	-0.192	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3C[C@H]32)c1B(O)O	1981448203	ZGIVZHNGOHDAJD-HTQZYQBOSA-N	219.053	-0.937	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981544067	VNHGJJWYTVTTBW-GFMAATOTSA-N	227.308	-0.687	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(n2cc(CN)nn2)C1	1982247723	LKPLKFJBUHNNPR-SSDOTTSWSA-N	240.698	-0.276	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1COC2CC1C2	1986053137	KKIBWSWLBZZGHJ-RTBKNWGFSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1	1989170175	FTGGZJSXEIXEJB-WVTGURRWSA-N	218.065	-0.535	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)[C@H]3C[C@@H]3Cl)C2)N1	1991695267	ZAZAGGYNGLTHRX-BYULHYEWSA-N	243.694	-0.102	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C[C@H]1OC	1992783530	XQKGSAMQDLMWBA-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
COC1CC2(C1)CN(CC(F)(F)C(=O)NN)C2	1998928361	OQXBKEBRJSFMLC-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
N#CC1CN(Cc2cccc(C(=O)NN)n2)C1	2000608825	ZVAUPLRNUORXIY-UHFFFAOYSA-N	231.259	-0.360	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]1CCC(=O)O	2001247273	WEZHIOHUCNIYTR-QMMMGPOBSA-N	243.263	-0.907	50	10	BBGE	
CCn1ncnc1CN(C)[C@@H](C)CC(=O)NN	2002658933	UDEQFBYPZMFPTM-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
CC(C)[C@H](C)CN(C)c1ncc(B(O)O)cn1	2004912471	UDUQETNQMQLPSL-SECBINFHSA-N	237.112	-0.115	50	10	BBGE	
CC(C)[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	2004912487	UJPNEOKNMHDEPK-SECBINFHSA-N	235.096	-0.361	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)CC1(F)F	2004919033	TWPSZOUBZKWVSR-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
CC(C)OCCN(C)c1ncccc1B(O)O	2004934557	GVWQARGYBBKZRG-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CCCC1CN(c2nc(C)ncc2B(O)O)C1	2005015160	WUHOUMAOESHGRK-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](C1)C2O)C(=O)NN	2005116875	MMNCEDJIUZEBPE-ULKQDVFKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)ccc2=O)O1	2008840214	IZUMLUIIBIMCFY-SCZZXKLOSA-N	237.064	-0.904	50	10	BBGE	
NNC(=O)C(F)(F)OC1CC(n2cncn2)C1	2012099850	PFVAXQQHMTYPST-UHFFFAOYSA-N	247.205	-0.419	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016371332	SJIJGUSVYCLGOQ-YSBPJYLOSA-N	239.319	-0.421	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)O[C@@H](C)C1	2019211444	QDBKQSWIVZVXNZ-BDAKNGLRSA-N	243.307	-0.347	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2CC2(C)C)n1	2021271429	VJQHSKUOWNARRQ-MRVPVSSYSA-N	236.080	-0.110	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCC3(CC3)CO2)c1	2025107048	TVQFUMAJZITBFX-JTQLQIEISA-N	236.080	-0.478	50	10	BBGE	
O=C(CN1CCN[C@@H]2C[C@@H]21)NNc1ccccn1	2034678970	NIXADUYOAVDQOS-ZJUUUORDSA-N	247.302	-0.429	50	10	BBGE	
CCOc1cc(C)cc(C#N)c1B(O)O	2060202865	PMADEELUZFYTEF-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
N#Cc1cc(OC(F)F)cc(F)c1B(O)O	2060262948	DAHIYCLATSNFPM-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070851507	KYUCPHWNFFQOEP-SXLYUPOASA-N	244.103	-0.148	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2n[nH]cc2c1	2076081908	OCZQPUWAWGAVQY-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
NNC(=O)C1(Cn2ccncc2=O)CCC1	2212250654	RLMKJBHQLJFKJQ-UHFFFAOYSA-N	222.248	-0.597	50	10	BBGE	
CC[C@@H](COC)Nc1ccc(B(O)O)cn1	2212602502	FKVPRDBQCMUZAC-VIFPVBQESA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCC[C@@H]1O	2212610903	QVYMMADNOSTSED-BDAKNGLRSA-N	222.053	-0.913	50	10	BBGE	
C[C@H]1C[C@H](N)CN1Cc1cccc(B(O)O)c1	2214601225	KZDRFVNQYGQZBF-CABZTGNLSA-N	234.108	-0.712	50	10	BBGE	
CCNC(=O)Nc1ccc(OC)cc1B(O)O	2215805484	RHBDQJKZNVBPAJ-UHFFFAOYSA-N	238.052	-0.484	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@@H](CO)C2)CCC1	2216493928	OWAUITKSFMSCJQ-BDAKNGLRSA-N	245.298	-0.591	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CCC2)C1=O	2216533757	GDQMDLOKPDMTID-UHFFFAOYSA-N	240.307	-0.096	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1CC(CO)C1	2216534096	JZZMWSZKDGONDM-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@@H]32)CCC1	2216535263	YIPSLGDRDXHVGP-GUBZILKMSA-N	239.319	-0.398	50	10	BBGE	
C[C@@H]1C[C@H]1NCCOc1ncccc1B(O)O	2217172417	KFLVJNZZSZRXAP-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
COC[C@@H]1CCCN1c1cc(B(O)O)ccn1	2217173363	PZOALTRHBKQYLZ-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CC[C@H](C[C@@H](C)O)Nc1ncccc1B(O)O	2217174379	YJLABWUTHSBKOG-RKDXNWHRSA-N	238.096	-0.277	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC23CC(O)C3)c1	2217176428	WEUNGAMYKILURD-INWMGODYSA-N	234.064	-0.913	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1c1ncccc1B(O)O	2217178134	RWYFRURROOALGS-RKDXNWHRSA-N	235.096	-0.923	50	10	BBGE	
C[C@H](C(F)F)N(C)c1nccc(B(O)O)c1F	2217180283	RVQPHULXWDHOHP-RXMQYKEDSA-N	248.013	-0.010	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCCO[C@H]32)nc1	2217185309	VIMUCCJYJRNXLC-FBIMIBRVSA-N	234.064	-0.649	50	10	BBGE	
C[C@H]1CNCC[C@H]1Nc1ncccc1B(O)O	2217198478	BSTOFZGURGXKNM-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
CCOC(=O)[C@@H](C)Nc1cc(B(O)O)ccn1	2217201418	PLOQESHZMMLKSD-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
CCC[C@H](COC)Nc1ncccc1B(O)O	2217202107	HRGATPMCXZYVHY-SECBINFHSA-N	238.096	-0.012	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1COC2CC1C2	2217202868	MMROYJSQJYTDAR-KTOWXAHTSA-N	234.064	-0.649	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C(C)(C)CO	2217204167	GGQXTLMRDGYQCZ-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
CN1CCC(Nc2cc(B(O)O)ccn2)CC1	2217205125	TXFHFGANYXQCDU-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
CC1(C)OCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205267	WULHSSRDUDTUEM-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
C=CCN(C)C1CN(c2ccc(B(O)O)cn2)C1	2223651286	WCAAKKFHUZHNPC-UHFFFAOYSA-N	247.107	-0.932	50	10	BBGE	
Cc1cnc(NCC23CC(CN2)C3)cc1B(O)O	2223652008	FPTWGYXNUFGTPK-UHFFFAOYSA-N	247.107	-0.766	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Nc1cc(B(O)O)c(C)cn1	2223653963	WLDXDYAAODTOER-MNOVXSKESA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCC[C@H]1CNC2	2223671384	LBEMCCCWHLCOMX-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
OC[C@H](O)[C@H]1CCN1C[C@H](O)CCl	2241810502	FBNHMGPWFNHVEY-PRJMDXOYSA-N	209.673	-0.986	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)s2)C1	2243349314	JLKHRGRPPVYOBD-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
CN(C[C@]12CCC[C@H]1C2)C(=O)C#CB(O)O	2243349657	OQWVVEGXWVXZEH-GXSJLCMTSA-N	221.065	-0.350	50	10	BBGE	
CC1(CNC(=O)c2ccsc2B(O)O)CC1	2243358157	DHLZWWRHFXQWNY-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
C#CCOCCNC(=O)C1(B(O)O)CCC1	2243365383	LWRLQYIOOYBSKS-UHFFFAOYSA-N	225.053	-0.851	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCN1	2243366069	XAWDGFBMKVAIDF-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
Cc1csc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	2243378426	SRWXIEAJSNKKES-FSPLSTOPSA-N	239.105	-0.125	50	10	BBGE	
CC(C)NCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243390856	CEGARUKXWKPIQZ-KYZUINATSA-N	228.101	-0.646	50	10	BBGE	
CC1(C)[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2243391232	ICSZWHMABKBVLE-RRQHEKLDSA-N	227.069	-0.779	50	10	BBGE	
CN(Cc1ccno1)C(=O)[C@H]1C[C@H]1B(O)O	2243392819	XHNANIGBLKETQL-JGVFFNPUSA-N	224.025	-0.504	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243396375	LMAYRIKPVWFTON-JGVFFNPUSA-N	226.085	-0.940	50	10	BBGE	
NCC1(NC(=O)C2CC(B(O)O)C2)CCC1	2243396573	NYWIBGOLXAVRFR-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
C=CCN(C(=O)C#CB(O)O)[C@@H](C)COC	2243400101	VWCMOSKJVQOTQA-VIFPVBQESA-N	225.053	-0.949	50	10	BBGE	
C[C@H]1NCCC[C@H]1NC(=O)C1(B(O)O)CC1	2243409280	FKRRQSDKHMZBSU-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
O=C(Nc1cnsc1)c1coc(B(O)O)c1	2243409934	RPUMWAQBBZAXRS-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414507	CBNOMBUQDOPHEH-LURQLKTLSA-N	227.069	-0.779	50	10	BBGE	
NC(=O)c1nc(CNC(=O)CCCCl)no1	2244163112	DLXXQPNZRUFMPC-UHFFFAOYSA-N	246.654	-0.196	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@@H]2C1	2244218901	BTHBAKUZWVXUGC-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
C[C@@H](CNC(=O)c1coc(B(O)O)c1)C1CC1	2247732167	CQHADUZDJURGQJ-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
CC1(OCCNC(=O)C#CB(O)O)CCCC1	2247738066	MKBDTBPLQVVJEP-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
CCC1(N(C)C(=O)c2cc(B(O)O)c[nH]2)CC1	2247746592	BBWORQCJOLCNCZ-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
COC[C@H](CCNC(=O)C1(B(O)O)CC1)OC	2247750756	NVJKVUCVMJXEHX-QMMMGPOBSA-N	245.084	-0.839	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2247760073	BEBZAIVJEMADQW-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2247762455	FBFGBDXGLMSVEA-QMMMGPOBSA-N	238.096	-0.377	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ncccc1B(O)O	2247769445	IJNYDKIRPHZYGN-QMMMGPOBSA-N	236.080	-0.463	50	10	BBGE	
CC[C@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796686	BVXLHEYQDXAZPX-ZYUZMQFOSA-N	243.112	-0.095	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCCO2)C1	2247798960	YOMHOPDQUPABOB-KKZNHRDASA-N	239.080	-0.369	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC2(CC2)C1	2247804926	ITINUQQRZVUHIQ-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247806173	MOHUDZPXDFUYBW-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1ccc(B(O)O)o1	2247849281	YBXRRICEZPRBES-BQBZGAKWSA-N	241.027	-0.611	50	10	BBGE	
NCC[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247859681	ODUXUMZZCPQVQQ-IDKOKCKLSA-N	240.112	-0.563	50	10	BBGE	
O=C(NCc1cnccn1)C1(B(O)O)CCC1	2247879246	SATAAEOWWVEJOH-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)OC1	2247887636	QHBIXKPNOPLCDV-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@]1(CO)C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247903646	MHIMHJNHTKEVJR-NGZCFLSTSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H](CO)C(=O)Nc1ccc(B(O)O)cc1F	2248474096	MYLQFFAJHDVZEP-LURJTMIESA-N	241.027	-0.928	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1cc(B(O)O)c[nH]1	2255476065	GINHXODSFREVOU-MRVPVSSYSA-N	248.091	-0.386	50	10	BBGE	
CC#CCNC(=O)c1cc(OC)ccc1B(O)O	2255501769	DOGFMXKNJKEIBE-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
O=C(N[C@@]12CCCC[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553506	ZQHJFVRPCCXEMM-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1C[C@@H]2C[C@H]2C1	2255669924	UPMJICRGQUAAJA-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2C[C@H]21	2255718678	DGQNABBULLDHKS-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1F	2255719201	DPXRIURBXWUVTE-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
CCC1(NC(=O)c2ncc(C)cc2B(O)O)CC1	2255792009	ZRDOLAXCDXYGTG-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@@H]2C(=O)NN)[C@@H]2C[C@@H]21	2298167159	CEUUGYVSYXXXGY-VPOLOUISSA-N	238.335	-0.609	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368697	SPWUWNZMSHGATH-XGEHTFHBSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)[C@H](C)CCO1	2298371503	MXLSTJOYIDBHBB-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463503	HKUUCBONKMIKRB-HEZDBXPZSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1C[C@@H](n2cnnc2)C1	2300921947	UWJJAIISBWTSRM-XHNCKOQMSA-N	239.279	-0.233	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301492011	KQPAJQQGOQWJMN-GUDRVLHUSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](F)C2=O)C1	2301874891	AXTMRZXPTIJKMP-DJLDLDEBSA-N	243.282	-0.037	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCO[C@@H]2CCOC2)C1	2303161088	LMRXAJDZGPKKLK-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
NC[C@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303848260	WVLRMIPXSHYFMM-VIFPVBQESA-N	239.059	-0.950	50	10	BBGE	
C[C@H]1C[C@H](O)CN1c1ccc(B(O)O)cc1C#N	2317151598	SIKHCAVMDPTHAA-KWQFWETISA-N	246.075	-0.802	50	10	BBGE	
CCCCN(CC(N)=O)C[C@H](C)C(=O)NN	82469862	JJZOBWCGDHKFLK-QMMMGPOBSA-N	230.312	-0.800	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnn(C)c1	82470439	BNVHKWNWXBVCKN-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
C[C@@H](C(=O)NN)n1ccc(C(=O)N(C)C)n1	82878029	ZFVBJPLKIKQMMG-LURJTMIESA-N	225.252	-0.864	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1ccc(C(N)=O)n1	86313857	GJIWHAOMYDNSTK-RITPCOANSA-N	225.252	-0.831	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1ccnc1C#N	87344545	HVYODGHLJKXDLT-MRVPVSSYSA-N	207.237	-0.058	50	10	BBGE	
N#Cc1ncn(Cc2cccc(C(=O)NN)c2)n1	110603404	QPDVWMROHJZUDB-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
CCOC(=O)CNC(=S)NNC(C)=O	196351160	LMHUJWGFXSBFRT-UHFFFAOYSA-N	219.266	-0.935	50	10	BBGE	
CCOCc1ccc(OC)c(B(O)O)c1	203174193	KYFFVKDMDNIIKV-UHFFFAOYSA-N	210.038	-0.089	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1CCOCC1	204263979	SBHKJKXKXAEEJF-UHFFFAOYSA-N	247.059	-0.204	50	10	BBGE	
O=C1NC(=O)[C@H](CCl)[C@@H](C(=O)O)N1	211556463	WOCHDYNCASINRC-GBXIJSLDSA-N	206.585	-0.866	50	10	BBGE	
C[C@@H](CC[S@@](C)=O)N1CC(=O)OC(=O)C1	230112665	HKOJBMNKMAJGMN-NZFNHWASSA-N	233.289	-0.471	50	10	BBGE	
C[C@@H](Br)C(=O)NC[C@](C)(O)CO	235058111	KWLDRKCSYOQPLB-VDTYLAMSSA-N	240.097	-0.371	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CCOC1	251269768	DZKVHCBONCKFTO-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cn1cccn1	299293683	HYMBLAQOYIVQNV-UHFFFAOYSA-N	225.252	-0.378	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)OC(C)(C)C1	300020396	OKBFJESDVCESRM-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NCC(Cl)Cl	308140521	KWPVTXVQLBJRGV-GSVOUGTGSA-N	229.063	-0.292	50	10	BBGE	
O=S(=O)(CCCl)NC1COCCOC1	308552402	YCPDYKULTHBIBY-UHFFFAOYSA-N	243.712	-0.440	50	10	BBGE	
C[C@@H](CC(=O)N(C)C)NS(=O)(=O)CCl	308696677	TVSFKIGRUHXVKF-LURJTMIESA-N	242.728	-0.031	50	10	BBGE	
OB(O)c1cc2[nH]ncc2cc1OC1CC1	309348246	MOODCVSNWJYUEU-UHFFFAOYSA-N	218.021	-0.216	50	10	BBGE	
CN(CCCO)Cc1nc(C(=O)NN)cs1	378699031	DYNUNPHATKEZCE-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
O=c1[nH]c2ccc([N+](=O)[O-])cc2cc1B(O)O	382587626	SVWWYPNPIJCIQT-UHFFFAOYSA-N	233.976	-0.884	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C)C(C)(C)O	382785337	FFIWENCVKVAZEY-ZETCQYMHSA-N	231.296	-0.755	50	10	BBGE	
CC(C)(CN1C[C@@H](O)C(C)(C)C1)C(=O)NN	388185404	NWXUUFZZDIXEBW-MRVPVSSYSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388194810	QHSFWCDVQVNCRB-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCCl)NCc1nc(O)n[nH]1	392340246	HILGPOPUCLQIPU-UHFFFAOYSA-N	204.617	-0.245	50	10	BBGE	
COC[C@H](O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395603877	DUKSCLICQYCHDE-RKDXNWHRSA-N	247.339	-0.670	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(B(O)O)c(O)c1	396026852	WXTXISUWWINSHD-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1C#N	396099564	KVDRRBLQDSFHJE-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
CC1(C)C[C@@H](N2CC(=O)OC(=O)C2)CO1	396550459	OMLRJFKHKMXTGN-SSDOTTSWSA-N	213.233	-0.061	50	10	BBGE	
O=C(CC1CCC1)Nc1cc(B(O)O)ccn1	404908598	GUNYDUAKSXQQFL-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CC(C)C(=O)N(C)Cc1cccc(B(O)O)c1	404946258	OHNKCZAFMUQXHL-UHFFFAOYSA-N	235.092	-0.019	50	10	BBGE	
CC(C)C(=O)Nc1ccnc(B(O)O)c1	404974971	AMKIDOLBTPLMPY-UHFFFAOYSA-N	208.026	-0.644	50	10	BBGE	
Cn1nnnc1N1CCN2C[C@H](Cl)C[C@@H]2C1	405206313	ALJBIPKDDIWUQZ-HTQZYQBOSA-N	242.714	-0.288	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cl	575458919	FISDTJDFTMXBSG-UHNVWZDZSA-N	227.669	-0.253	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C(=O)O1	688530156	KGGXSGUSKSNIHC-CSMHCCOUSA-N	243.263	-0.635	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)CC1CC1	690927701	RYLSKXAXTVQOCR-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(C)(F)F	693770556	PVYBSCJKSQJJLO-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
OB(O)c1cnn(Cc2cc(F)ccc2F)c1	694500639	JUZHNVOGTSGXRQ-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
Cc1cc(C)n(CCn2cc(B(O)O)cn2)n1	694510169	UXYOPGUEOKHBPE-UHFFFAOYSA-N	234.068	-0.924	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@]1(C)CO	694660982	KBAVXSVFQUJWKB-CABZTGNLSA-N	243.351	-0.047	50	10	BBGE	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(N)=S	700841856	UPVXSIGOXMIDTI-YFKPBYRVSA-N	246.336	-0.598	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(n2ccnc2)C1	707389923	YDFABVXCVHBHGA-BDAKNGLRSA-N	237.307	-0.246	50	10	BBGE	
C#CC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	709388936	CLQDDOSYRIQBBR-VIFPVBQESA-N	221.260	-0.786	50	10	BBGE	
C[C@@H](CN1CCO[C@H](C2CC2)C1)C(=O)NN	709908349	GGGBWGMSHUNLBZ-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
NCc1cn(C2CN(C(=O)CCl)C2)nn1	722379033	BKEUIDXSFSWADV-UHFFFAOYSA-N	229.671	-0.641	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)Cc1ccccn1	756822354	BDENXISLKQWPRL-UHFFFAOYSA-N	237.259	-0.458	50	10	BBGE	
CNC(=O)CC(=O)NNc1nccc(OC)n1	772135095	ZULTXULPAGSGIR-UHFFFAOYSA-N	239.235	-0.936	50	10	BBGE	
CC[C@@H](C)C(=O)NNC(=O)c1cn(C)nn1	855184437	CRMAXKUBLDWDDQ-ZCFIWIBFSA-N	225.252	-0.378	50	10	BBGE	
CC(=O)NNC(=O)[C@]1(CC(C)C)CCNC1=O	864427526	RHXQGCMIBGHQJW-NSHDSACASA-N	241.291	-0.294	50	10	BBGE	
COCCN(C)NC(=O)/C=C\Cn1cncn1	908114589	HYUVPOPOYBHAFP-ARJAWSKDSA-N	239.279	-0.556	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1nnn(C)c1C	909435911	ULGLTCAMIHBECZ-SNAWJCMRSA-N	223.236	-0.539	50	10	BBGE	
C[C@H](C(=O)NNC(=O)C1CC1)n1cnc(C#N)n1	1116902697	JSXPNJVHAMFVDQ-ZCFIWIBFSA-N	248.246	-0.732	50	10	BBGE	
Cc1nocc1C=NNC(=O)[C@H]1CCC(=O)N1	1118889558	MFINNSYZTSTBMT-MRVPVSSYSA-N	236.231	-0.288	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)NC2CC2)cnn1	1320621184	KNRPKYZJIANMRC-UHFFFAOYSA-N	235.247	-0.109	50	10	BBGE	
CN(NC(=O)C1(NC(N)=O)CC1)c1ccccn1	1335331236	IFKVWRQAKFCTPN-UHFFFAOYSA-N	249.274	-0.250	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	1442134815	KEXSKGIQTFXVTE-ZCFIWIBFSA-N	245.279	-0.076	50	10	BBGE	
CCn1cc(CC(=O)NNC(C)=O)nn1	1540497746	YLYAEARBFPBVOP-UHFFFAOYSA-N	211.225	-0.992	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)CCC(N)=O	1628990976	ACTBIRSWKIEIOE-UHFFFAOYSA-N	231.252	-0.192	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc(O)c1	1630973178	YZUCKAPZQWTOPX-UHFFFAOYSA-N	210.193	-0.639	50	10	BBGE	
Cc1ncc(C(=O)NNc2ccn(C)n2)c(N)n1	1641538516	UIHAYRBFYNHCIF-UHFFFAOYSA-N	247.262	-0.142	50	10	BBGE	
NCCNC(=O)[C@H]1C[C@@H]1Br	1880106582	ATFZUINKXOEFFP-WHFBIAKZSA-N	207.071	-0.155	50	10	BBGE	
NCC[C@@H](O)C(=O)NC1CC(Cl)C1	1882601550	VPZMDOBKSNAVGD-KPGICGJXSA-N	206.673	-0.418	50	10	BBGE	
CN1CC(NC(=O)C=CC(=O)Cl)C1	1883627134	QNGLGZJVSSIKKC-UHFFFAOYSA-N	202.641	-0.262	50	10	BBGE	
Nc1c[nH][nH]c1=NC(=O)[C@H]1C[C@H]1Cl	1883638172	DAYDKALNKTTWLY-IUYQGCFVSA-N	200.629	-0.020	50	10	BBGE	
CC(C)CC1(O)CN(CC(=O)NN)C1	1887579907	GSNJCGHQKUHUCK-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CC(=O)n1ncc2sc(B(O)O)cc21	1887858027	AQNADFKWFRIVSD-UHFFFAOYSA-N	210.023	-0.562	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@@H](O)CCl	1888374611	TUFCJMOFCYGGPH-VIFPVBQESA-N	222.716	-0.004	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCNC[C@@H]1CO	1893453128	KVMXIAWCTVKLKI-BWZBUEFSSA-N	218.684	-0.594	50	10	BBGE	
NC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1893453742	QBBCAFIJVWTNLL-NGJRWZKOSA-N	218.684	-0.296	50	10	BBGE	
NCC1(NC(=O)C2CC(Cl)C2)COC1	1893482731	YTWBNLJJFGAQGW-UHFFFAOYSA-N	218.684	-0.152	50	10	BBGE	
O=C(NCB(O)O)c1snnc1C1CCC1	1899680629	PYDDFXANMDOTQQ-UHFFFAOYSA-N	241.081	-0.453	50	10	BBGE	
C[C@@H]1CN[C@@H]1C(=O)NN(C)S(=O)(=O)C1CC1	1901343031	UMDJCBYEMPZENA-SVRRBLITSA-N	247.320	-0.951	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C#N)C1CC1	1901346670	PBWQMEAIQDJJGI-QMMMGPOBSA-N	245.304	-0.151	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)CCCC(=O)NN)C1	1901753714	YVRGBBBTYOWJLL-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](O)CN(CCC(=O)NN)C1CCCC1	1902649647	KIBVBGQCTRZZME-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1O[C@H]2CC[C@H]1C2	1905139932	WCYLPYJVBLNWBT-AATLWQCWSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccc(=O)c([N+](=O)[O-])c1	1905541765	RPEVMRUZZNYDQD-ZCFIWIBFSA-N	240.219	-0.303	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907267433	AAYVFTJATZQGBC-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1909757291	CKOIUVKRIVIKNX-XHNCKOQMSA-N	241.291	-0.893	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154708	IASMRYGBNJNLFA-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
Cc1ccnc(C(=O)NN(C)C)c1C#CCO	1927136436	NJFSNPBAGLGZPD-UHFFFAOYSA-N	233.271	-0.060	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC[C@H]2C[C@H]1CO2	1928122544	VUPJTUFTYCSANU-LYFYHCNISA-N	229.305	-0.334	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)C[C@H]1F	1928694098	KRWDFEPCZKHMDK-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1929071964	ZFSRAAAIDKNSEQ-VDAHYXPESA-N	213.281	-0.933	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)C(=O)NN)S1	1931563414	DPTOFCRBNBBBRY-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
O=C(NNCCO)[C@H]1C(F)(F)C12CC2	1931741643	OSLSNOHQRPVFFA-RXMQYKEDSA-N	206.192	-0.355	50	10	BBGE	
COC(C)(C)CN(C)CC(F)(F)C(=O)NN	1935925394	JLSVUCGRQHCEHX-UHFFFAOYSA-N	239.266	-0.032	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)CC(F)(F)C(=O)NN	1935935083	IFKFHOSRCFWVGC-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)ccc1=O	1936090263	HIZZWGSQTKSOFR-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
NNC(=O)CCN1CCCC2(CC2)S1(=O)=O	1936395900	ZAQUYLMYXLEZKK-UHFFFAOYSA-N	247.320	-0.675	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C3(CC3)C2)CC1	1938232496	KCCPQRZHGPJDCB-QMMMGPOBSA-N	225.292	-0.787	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H](O)C[C@H]1C2	1940866921	IYUPJMUMYFWQEP-PRJMDXOYSA-N	249.261	-0.543	50	10	BBGE	
COC[C@@]1(O)CCCN([C@H](C)C(=O)NN)CC1	1946479309	OZXJFQAHQYCLOS-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(OCCO)C1	1946920982	KDXAXUFZAPALFZ-SNVBAGLBSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)NCCOC[C@@H]1CCCO1	1955515048	GKVCPXBMSGZZIK-ZETCQYMHSA-N	203.242	-0.645	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCl)CC[C@@H]12	1956252648	SBJHBOQNWIQCRR-RQJHMYQMSA-N	216.668	-0.180	50	10	BBGE	
CCCOC[C@@H]1CCCN1CC(=O)NN	1958305174	BAUJXEYXNOXPLW-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H]1C[C@H](F)CN1CCOCC(=O)NN	1958677611	NQHXMKNNOHJKGL-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CCC(=O)NN)C2	1960278464	LBOIBVAKGFTFOD-PSASIEDQSA-N	213.281	-0.665	50	10	BBGE	
COCCOc1cc(C)cc(B(O)O)c1	1960997368	MJLYTPGYSIACCJ-UHFFFAOYSA-N	210.038	-0.300	50	10	BBGE	
CCOCCCOc1nc(B(O)O)cs1	1961697207	VUIQHPSQNFARAH-UHFFFAOYSA-N	231.082	-0.372	50	10	BBGE	
OCC(O)(CO)CNc1ncccc1CCl	1975624257	DKWPRYYIPGPMPO-UHFFFAOYSA-N	246.694	-0.052	50	10	BBGE	
Cl[C@@H]1CN(CCn2cnnn2)[C@H]2COC[C@@H]12	1975949210	YEZXVMZJJOHRON-YIZRAAEISA-N	243.698	-0.389	50	10	BBGE	
OC1CN([C@@H]2CCN(CCOCCCl)C2)C1	1976097590	QOODHDGHRGEIBU-SNVBAGLBSA-N	248.754	-0.007	50	10	BBGE	
NNC(=O)CN1C[C@H](CO)[C@@H](C(F)(F)F)C1	1977994596	UGPWVFJSGNXBNE-RITPCOANSA-N	241.213	-0.921	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2CC(F)(C2)C1	1978285058	WLFAWAAEBQLVBR-CCNFQMFXSA-N	231.271	-0.575	50	10	BBGE	
CNC(=O)CN(CCCCCl)CC(=O)NC	1978821346	DMQXYZKPFWUZNS-UHFFFAOYSA-N	249.742	-0.201	50	10	BBGE	
Cn1nnnc1N1CCN(CCCCl)CC1	1980732523	CWWRVUKTIMTIST-UHFFFAOYSA-N	244.730	-0.039	50	10	BBGE	
CC(C)(CN1CC[C@@H]2C[C@@]2(O)C1)C(=O)NN	1980975951	AVXMRSNKCJMSEM-LDYMZIIASA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC(=O)[C@@H]1C	1981205194	JVXRUANEJAJCOE-ZETCQYMHSA-N	227.264	-0.793	50	10	BBGE	
OB(O)c1cccnc1N1CCC12CCC2	1981423924	LGHZRVPARYEESE-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
COCCN(C)c1ncc(B(O)O)cc1Cl	1981469441	SLMTXAUQDNGSKD-UHFFFAOYSA-N	244.487	-0.503	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@H](Cl)C#N	1982213086	AGYIVBZVISZRBQ-SECBINFHSA-N	244.726	-0.519	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1COC2(CCC2)C1	1984300592	KFYAZSGNMSNKSZ-ZETCQYMHSA-N	227.264	-0.854	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)S(C)(=O)=O	1985352747	XWHFEIMFNBCFDK-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](C2(O)CC2)C1	1987340951	OZPUEOCPSRRFRR-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC(F)F)C1COC1	1991227707	QPMQGTMNJYTFTD-SSDOTTSWSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)C=CC(=O)Cl	1991655645	YHPYMXGZHHBZJJ-RXMQYKEDSA-N	244.634	-0.819	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)/C=C/C(=O)Cl)C[C@@H]1O	1991712951	MZSSRIBSTSIATI-LRBNTTHTSA-N	247.678	-0.038	50	10	BBGE	
COCCO[C@H]1CCCN(CCC(=O)NN)C1	1996761003	FVCGKABYYDDSSZ-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CC[C@H](O)CC1	1997586224	OHJPKOXAOGEGMY-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
C=CCCOCCOc1cncc(B(O)O)c1	2000099219	KDCHVZCIFLBFPN-UHFFFAOYSA-N	237.064	-0.267	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H]2COC[C@H]21	2013467559	FEUXQBCCCXFXAI-DTWKUNHWSA-N	237.259	-0.286	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	2014278428	JPLODKZMODWKDQ-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@H]21	2016676359	VMKATIGWWZGOCP-ATZCPNFKSA-N	233.076	-0.426	50	10	BBGE	
C=C[C@@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	2018855524	HFSXVYFTONIDAZ-GFCCVEGCSA-N	239.319	-0.231	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CCOCC2)C1	2019211361	PVWURLGLMAEISS-UHFFFAOYSA-N	241.291	-0.734	50	10	BBGE	
CCc1nc(C)c(C(=O)NCC=CB(O)O)o1	2020056875	PBCVPHAVXMXCDT-UHFFFAOYSA-N	238.052	-0.157	50	10	BBGE	
Cc1nc(N2[C@H]3CCC[C@@H]2C3)ncc1B(O)O	2021408407	BAWMFVSXBUYWSB-DTORHVGOSA-N	233.080	-0.404	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cccc(B(O)O)c1	2022197056	WTRGJYXTBHGXGI-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@H]1C1CC1	2052468287	BEXXZCDLOIQQFC-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCCCC[C@@H]21	2052468393	CFQHMVCPTNGDPA-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
Cc1ccnc(N2C[C@@]3(C)C[C@H]2CO3)c1B(O)O	2052470784	IMKVQPXGPRVINL-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
Cc1ncnc(N(C)Cc2cocn2)c1B(O)O	2052557374	ONDPPLXQLSGCRO-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
COc1nc(N2CC[C@@H]3CC[C@H]32)ncc1B(O)O	2052628345	ZCRHJRNHIHJQMI-IONNQARKSA-N	249.079	-0.846	50	10	BBGE	
CCOc1c(F)ccc(OC)c1B(O)O	2060113181	FNVGTYFWSCTKIZ-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COCC[C@@H]32)c1	2073060830	KWARSTVEJBPDBI-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
Cc1cc(N2O[C@H]3C=C[C@H]2CC3)ncc1B(O)O	2077855432	MNZCOOXTFYCJLD-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
Cn1cn[nH]c1=N[C@@H]1COC[C@@H]1CCl	2209807327	YZLVLFUBHIHGHI-NKWVEPMBSA-N	216.672	-0.097	50	10	BBGE	
C=CC[C@@H](CO)Nc1ccc(B(O)O)cn1	2212604885	TZJKTUVJXKTAFF-VIFPVBQESA-N	222.053	-0.890	50	10	BBGE	
C=CCN(c1ncc(B(O)O)cn1)C1CC1	2212612673	NFOHOFDQNLIEBR-UHFFFAOYSA-N	219.053	-0.689	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1ncccc1B(O)O	2212615229	LUGWKAGRRDYKTL-VXNVDRBHSA-N	222.053	-0.649	50	10	BBGE	
C[C@H]1CC[C@H]1CN(C)c1ncncc1B(O)O	2215003531	GXNPGSGKFWZZHY-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
Cc1nccn1CC1(C(=O)NN)CCOCC1	2216863528	LODCDSCMZCVCRZ-UHFFFAOYSA-N	238.291	-0.022	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1cc(B(O)O)ccn1	2217172027	GWVCHESLDOJRQQ-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
COC[C@@H](C)[C@@H](C)Nc1ncccc1B(O)O	2217175261	GPWYIAUJUXLURD-RKDXNWHRSA-N	238.096	-0.156	50	10	BBGE	
COC[C@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2217175459	JCZAZKXGHGOPTQ-IUCAKERBSA-N	238.096	-0.156	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217175572	KSMCQIATRFPXLP-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
Cc1c[nH]c(=NCC=CC2CC2)cc1B(O)O	2217178997	DNWVTHFNWBHZLM-UHFFFAOYSA-N	232.092	-0.130	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1nccc(B(O)O)c1F	2217183608	JUWRCEGQIGTRNI-HTRCEHHLSA-N	240.043	-0.653	50	10	BBGE	
CCC[C@H](N)CCOc1cc(B(O)O)ccn1	2217191830	UXYTYEPESLTNSR-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
CC[C@H](CCCO)Nc1ccc(B(O)O)cn1	2217200220	ISCKAUQMGITKCA-SNVBAGLBSA-N	238.096	-0.276	50	10	BBGE	
CC1([C@@H](CO)Nc2ccc(B(O)O)cn2)CC1	2217204223	GYDJMYQCFXWYTN-SECBINFHSA-N	236.080	-0.666	50	10	BBGE	
CCc1ccc(CNc2ncc(B(O)O)cn2)o1	2223632105	FWEASZKYYXFFHZ-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Cc1cc(CN(C)c2ccc(B(O)O)cn2)no1	2223633454	WSMURTWLSWJDJA-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1ccnc(NCc2ccnc(O)c2)c1	2223637723	RYRJYTOFYMMJDW-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
COCC1=CCN(c2ncccc2B(O)O)CC1	2223668477	XFAOJSVCIPBYTG-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
OC[C@H]1C[C@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2223673878	ZSPFJWLGDNILQB-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
O=C(NCC1(F)CC1)c1coc(B(O)O)c1	2243347527	NFWVLEBNPKXMKL-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1cc(B(O)O)c[nH]1	2243356735	MIHKOOMHOLNKMV-IYSWYEEDSA-N	242.471	-0.948	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC(CF)C1	2243386372	ZAABEJBXYVYOOH-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243392665	VXSKUHRQEJHHIY-IWSPIJDZSA-N	224.069	-0.143	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1sncc1B(O)O	2243414987	LYKJKAPZHBYREL-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NOCCF	2243426924	NRBWAWHKNXKUFS-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C#CCC(=O)Nc1cc(Cl)ccc1B(O)O	2243664036	KIDDNBVXGDCVPX-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
O=C(CN1CCNCC1=O)N[C@H]1C[C@H](Cl)C1	2243968840	SOULWGVAKPLRHS-ZKCHVHJHSA-N	245.710	-0.696	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2244213796	KILIBJLVPPMNGE-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
N[C@H]1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2244710589	HZGBDBMDWVPVEO-JBDRJPRFSA-N	226.085	-0.907	50	10	BBGE	
CC1(OCc2ccc(B(O)O)cc2)COC1	2245002245	RTIDQHFLQOWWFM-UHFFFAOYSA-N	222.049	-0.328	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)oc1C	2247737827	KPFBAHFPFFERHD-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247742719	SQLLPRMSURKDOP-UHFFFAOYSA-N	234.064	-0.822	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1ccoc1B(O)O	2247747738	RTLLXAONESWKBS-BQBZGAKWSA-N	241.027	-0.468	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)cn1CC	2247751943	FTFRTKYPWMRBLX-HWKANZROSA-N	236.080	-0.506	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC1(C)C	2247758268	URQRUBBTZPZINW-MRVPVSSYSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CCNC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247791663	OGPGLTDZRZNOEL-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CCO1	2247797161	GSMBHLSDNLNARJ-NFTFJBJSSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](O)C1)C1CC(B(O)O)C1	2247797320	ILNIEBUJSTXMMX-QLEHZGMVSA-N	241.096	-0.341	50	10	BBGE	
CC1(O)CCN(C(=O)C2CC(B(O)O)C2)CC1	2247798028	PNHJKIJDRDQVCY-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247798352	SOLBRRZMBLAUDR-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247805212	JUKWWCVDAIUGHT-GUBZILKMSA-N	242.128	-0.175	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)nn1	2247807783	JCWNNWIACGWZCL-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
CN(C)CCCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247807990	JOVOGZSTMNUBIN-UWVGGRQHSA-N	242.128	-0.351	50	10	BBGE	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247808607	VNRPHVNXYIYDMG-NXEZZACHSA-N	236.080	-0.154	50	10	BBGE	
N#Cc1ccc(NC(=O)C#CB(O)O)cc1F	2247848119	HLFYISDILPUEHS-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2247848538	NDAJEENNTMMVRI-SSDOTTSWSA-N	238.096	-0.141	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)CCO1	2247849463	AEAVIWSQJSWWHS-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247854466	CZNCOYAALWGOBQ-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2occc2B(O)O)C1(F)F	2247877747	JTLVHMICRJNORO-FFWSUHOLSA-N	244.990	-0.657	50	10	BBGE	
O=C(NCC1(CO)CCC1)C1(B(O)O)CCC1	2247877872	FTMYOJAMODFTMK-UHFFFAOYSA-N	241.096	-0.338	50	10	BBGE	
O=C(NCc1ncccc1F)[C@@H]1C[C@@H]1B(O)O	2247887238	LZCCESCPWBOCAK-RQJHMYQMSA-N	238.027	-0.300	50	10	BBGE	
CCCN(CC)CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247894711	KANKTAZWXWULPM-NXEZZACHSA-N	242.128	-0.303	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1O	2247897866	XLUNZANKZXHNMW-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
N#CC1=CCN(C[C@H]2COCC3(CNC3)O2)CC1	2253729471	GCEDGVCFILVGKQ-LBPRGKRZSA-N	249.314	-0.101	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H](C)C2)n1	2255482767	ZUDCNSHCAYXTSK-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
N#Cc1cc(NC(=O)C2CC(B(O)O)C2)ncn1	2255579592	SURHBDZPAXZNQH-UHFFFAOYSA-N	246.035	-0.460	50	10	BBGE	
O=C(C#CB(O)O)N1Cc2ccc(CO)cc2C1	2255673610	RFXAVQUMHOOYPH-UHFFFAOYSA-N	245.043	-0.964	50	10	BBGE	
CCN(C(=O)c1nccnc1B(O)O)C1CCC1	2256062158	QVWYATXSIVXAAD-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ncc(B(O)O)cc1C	2257492279	UNGRUNUIEQHZQL-MRVPVSSYSA-N	246.075	-0.931	50	10	BBGE	
C=CC1CN(C(=O)c2cccc(B(O)O)c2F)C1	2261385336	IHSZMAFBICFCPO-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@H]1C[C@H]1B(O)O	2298369910	IQPZZXRFDYHZON-RXKWGBCNSA-N	238.096	-0.813	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2298370474	ZLDQMYNVKGRMBA-CQPCXZHNSA-N	239.080	-0.779	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2298375635	TUFHMBSYVILKPT-SJQPAMGKSA-N	239.080	-0.608	50	10	BBGE	
CC[C@@H](O)CN(CCC(=O)NN)C[C@H](O)CC	2299155011	HUCHETSIEAPTCP-NXEZZACHSA-N	247.339	-0.790	50	10	BBGE	
CNCCCOc1ccc(B(O)O)cc1C#N	2301369911	XVZYGDCOMNEKSY-UHFFFAOYSA-N	234.064	-0.774	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](F)C1(O)CNC1	2302406403	XBBNHVLJQXTYQM-SECBINFHSA-N	247.314	-0.188	50	10	BBGE	
NNC(=O)C(=O)NCc1cnc2c(c1)CCC2	2303009095	OMQVZTJOSOOTIU-UHFFFAOYSA-N	234.259	-0.824	50	10	BBGE	
O=C1NCCCC[C@H]1CN1CC[C@@H](B(O)O)C1	2303096291	CTJXAMQDKDOOQO-VHSXEESVSA-N	240.112	-0.549	50	10	BBGE	
COCCCCCN(C)[C@@H](COC)C(=O)NN	2303262723	DMWRFIRWLKCOBW-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1C[C@H]1N	2303851923	HMHABHXILMSIAB-ATVXKPNKSA-N	240.043	-0.985	50	10	BBGE	
CCC[C@@H](N)CNc1ccc(B(O)O)cc1C#N	2317160285	BTFIGQQQFXBOCM-LLVKDONJSA-N	247.107	-0.223	50	10	BBGE	
CN(C)C(=O)N1CCC[C@@H](C(=O)NN)C1	37400305	NQYHBCPFKIUGCG-SSDOTTSWSA-N	214.269	-0.630	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1CCCC(=O)NN	110590139	RLSDRLVILJBIJB-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1CC(O)C2	111214657	VJBORNUOAFSBDS-YUMQZZPRSA-N	213.281	-0.646	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCl	115887619	VXLPYFZWBMGNSX-UHNVWZDZSA-N	207.613	-0.728	50	10	BBGE	
O=C(O)[C@@H](Cl)CSC[C@H](O)CO	132998770	HCVJUTLNOVZFOD-UHNVWZDZSA-N	214.670	-0.235	50	10	BBGE	
COc1ccc(=O)n(CC(C)(C)C(=O)NN)n1	134523525	ZGGSUDAJRVOTJZ-UHFFFAOYSA-N	240.263	-0.732	50	10	BBGE	
CCC[C@H](Oc1cnn(C)c1)C(=O)NN	161339180	VGHORGREVHAQBO-QMMMGPOBSA-N	212.253	-0.043	50	10	BBGE	
Cc1nc(-c2ccc(B(O)O)cc2)no1	197011716	CKYUDUKWNUGYDF-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
O=C1OCC[C@H]1NS(=O)(=O)CCCl	220252905	PHGQVZZHMXFGJV-RXMQYKEDSA-N	227.669	-0.540	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCO)C1CCC1	228569132	SVEBSCODFWUTFK-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCCC1	232418894	LWYNBKAOMWXKRL-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(=O)NNC(=O)c1cc(O)ccc1O	238103991	KODIEWSWAMUMAY-UHFFFAOYSA-N	210.189	-0.121	50	10	BBGE	
O=[N+]([O-])c1cnc(Br)c(B(O)O)c1	306832314	NZLVKTALTGJSCI-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Nc1ccc(N)c2sc(B(O)O)cc12	306911061	JZVWAEHTUNGZCX-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CNC(=S)NNC(=O)CCCOC	379401561	KXXLTWPAPBFTJH-UHFFFAOYSA-N	205.283	-0.462	50	10	BBGE	
C[C@H]1OCCN(Cc2ccc(B(O)O)cc2)[C@@H]1C	380287973	ABOIXPVQFAVOJN-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
CC(C)C1(O)CN([C@H](C)CC(=O)NN)C1	383994140	PXYMKEIHCYVFFL-MRVPVSSYSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCn1cnc(C2CC2)cc1=O	395654019	ZNSKKFBGTROQSN-UHFFFAOYSA-N	222.248	-0.499	50	10	BBGE	
Nc1csc2ccc(C=O)c(B(O)O)c12	396255558	LWWWSEIFBVGYMD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=Cc1cccc2sc(B(O)O)c(CO)c12	396333771	IDEZTKJYAQLGRA-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC2(CN(C)C2)C1	398765869	XNOVDZUZLKLWPQ-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)c1ccoc1CSCCC(N)=O	399160791	KMGAXZKYJLWYSW-UHFFFAOYSA-N	243.288	-0.008	50	10	BBGE	
COCCC(=O)Nc1ccccc1B(O)O	404914749	NHXVHCSWOGHTAS-UHFFFAOYSA-N	223.037	-0.659	50	10	BBGE	
Cc1nn(C[C@@H](O)CBr)c(=O)o1	694862182	AWHXUOIJQHPVLX-YFKPBYRVSA-N	237.053	-0.099	50	10	BBGE	
CN(C)CC[C@@H]1CCN(CC(=O)NN)C1	701447301	QBFXIOJCEDQXMR-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1nc(C(=O)NN)co1	703550032	FINJABUAZPLGSB-POYBYMJQSA-N	241.247	-0.170	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@H](COC)C1	706718396	YVCSONFQPFZFNK-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)CO[C@H](Cn2cc(B(O)O)cn2)C1	708544584	LBUPOWBMAZDVSX-VIFPVBQESA-N	224.069	-0.622	50	10	BBGE	
CN1CC(=O)OB(C(Cl)Cl)OC(=O)C1	722119614	ILWFROTYCOVPOR-UHFFFAOYSA-N	239.851	-0.151	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H](N)C(F)(F)F	831944621	DBJISUIXOYKKKS-BYPYZUCNSA-N	242.201	-0.432	50	10	BBGE	
CCC(=O)NNC(=O)N[C@H](CN)C(F)(F)F	848597153	GVBJTICGYHRKGK-SCSAIBSYSA-N	242.201	-0.384	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	854214594	NMMRBWDZWZYRPN-JIGDXULJSA-N	212.249	-0.318	50	10	BBGE	
CN(NC(=O)[C@@H]1CCNC1=O)c1ccccn1	862746849	GXFGESBLIZVXQD-MRVPVSSYSA-N	234.259	-0.315	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1nnc(C)n1C	912676495	AMQSKZMLTMCRIY-SMMXGFFBSA-N	225.252	-0.496	50	10	BBGE	
CO[C@H](C(=O)NNc1nc[nH]n1)[C@H]1CCOC1	1118770143	KNIZSECUCKKBIZ-BQBZGAKWSA-N	241.251	-0.701	50	10	BBGE	
Cn1ccc(NNC(=O)c2nsnc2O)n1	1161285626	SHMAPORPZVLCOE-UHFFFAOYSA-N	240.248	-0.266	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1c[nH]nc1C	1293045589	KBCAWQAPIVJIEF-JTQLQIEISA-N	240.263	-0.360	50	10	BBGE	
Cc1c(Cl)c(C(=O)NNC(=O)CO)nn1C	1457717930	ACERKJPETPPKQW-UHFFFAOYSA-N	246.654	-0.865	50	10	BBGE	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1ncon1	1536937048	APIXEJJSPXACMJ-VIFPVBQESA-N	237.219	-0.230	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cn[nH]c2)n[nH]1	1570717040	MVPFRIBXXGQRCY-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
O=C(CCn1cccc1)NNC(=O)c1ncon1	1616276993	DYYDCHSITOKKMS-UHFFFAOYSA-N	249.230	-0.278	50	10	BBGE	
Cn1nc(C(=O)NNc2ccncn2)ccc1=O	1627966645	AUJNREMKHFFOGZ-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C#Cc1ccc(C(=O)NNc2cnnn2C)cn1	1638740947	ZAIBYEKPWJGHPW-UHFFFAOYSA-N	242.242	-0.052	50	10	BBGE	
NC(=O)CONC(=O)[C@@H]1C[C@H]1Br	1877415121	UYSHOIRSIBFNSI-QWWZWVQMSA-N	237.053	-0.697	50	10	BBGE	
O=C1NC(=O)N(C2CC(Cl)C2)C1=O	1881718253	DACCXWFWSUTWSE-UHFFFAOYSA-N	202.597	-0.165	50	10	BBGE	
COC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883549759	CGGTVXFJGUZZDE-ACZMJKKPSA-N	206.673	-0.296	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC[C@H]2C[C@@H]2Cl)C1	1883555525	XSYRLSGSQAZFEB-XGEHTFHBSA-N	204.701	-0.122	50	10	BBGE	
C#CCC(=O)NN(C)S(=O)(=O)C(C)C	1888562089	OWIZVHSEOINQPJ-UHFFFAOYSA-N	218.278	-0.289	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)S	1888572164	QUUVIUMTLAVVOZ-RXMQYKEDSA-N	226.323	-0.383	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@@H]1C[C@@H](O)CN1	1893127261	GTDXZGKDQKHULZ-XUTVFYLZSA-N	218.684	-0.547	50	10	BBGE	
CO[C@@H]1CN(C)C[C@H]1NC(=O)C=CC(=O)Cl	1897219107	CVFMGLZGBOBSEA-HTQZYQBOSA-N	246.694	-0.247	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1(C#N)CC1	1901345670	GNNDIVCYDHNPAS-UHFFFAOYSA-N	245.304	-0.007	50	10	BBGE	
CC(C)=C(CN1CC[S@@](=O)[C@@H](C)C1)B(O)O	1901703205	UKFYCIARUYOTSU-XXFAHNHDSA-N	245.153	-0.212	50	10	BBGE	
C[C@@]1(CCO)CCN1CCC(=O)NN	1904865740	RCOWHFKVQKKOIH-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
CCN1CCCN([C@H](C)CC(=O)NN)C1=O	1905340494	STEGWKOCCVDIRG-MRVPVSSYSA-N	228.296	-0.098	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907249403	CEKFKIZZEFEASK-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]32)CC(=O)O1	1909092501	QOTQJKVASABCTP-HRYDXZTJSA-N	237.255	-0.062	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@H]1CO	1911471752	AYJDQEBTXAFZEN-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
O=C(C=Cc1ccc2c(c1)CCO2)NCB(O)O	1911738618	BPFLNNAVYRBTEJ-UHFFFAOYSA-N	247.059	-0.237	50	10	BBGE	
CN(C[C@H](O)CBr)S(C)(=O)=O	1913483108	NEUMULMSZVDVAG-RXMQYKEDSA-N	246.126	-0.366	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1[C@@H](C(=O)NN)C(C)(C)C	1914254805	HWVPUVXZKWAFJT-HLTSFMKQSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914397430	YTQLTXOOSIBZEK-YUMQZZPRSA-N	213.281	-0.646	50	10	BBGE	
C[C@@H]1CNC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923392838	WZQNLEFLCFEXNK-RFZPGFLSSA-N	239.197	-0.448	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC[C@H]1CCl	1929736870	XAHNTJWJMDSXTM-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)S(=O)(=O)CCl	1931393131	TXDKTKLTVKKJMC-YFKPBYRVSA-N	228.701	-0.292	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)S1	1931585687	RQHOIIDEUVYNAD-NKWVEPMBSA-N	231.321	-0.281	50	10	BBGE	
CN(C)C[C@@H]1COCCN1C[C@H](O)CCl	1932752459	ZBXDLTBPXZILDL-NXEZZACHSA-N	236.743	-0.152	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936094359	MMPIUSLYPLTFJI-UWVGGRQHSA-N	226.324	-0.750	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)CC(C)(C)C(=O)NN	1938362608	VELRRAOPDIQGEV-ZETCQYMHSA-N	230.312	-0.802	50	10	BBGE	
CSC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	1939043279	ZIRWLUDFRFQZHU-APPZFPTMSA-N	245.348	-0.429	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@]12COC[C@@H]1C2	1941084422	GVIGKNGJQDZSHO-QFOLPQNPSA-N	239.319	-0.419	50	10	BBGE	
CCN(CC)C1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941089657	WYRDRWVOLLWBKL-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H](CO)CC1	1941773129	SRJVLVJWHMHAGW-JTQLQIEISA-N	245.323	-0.913	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2[C@@H](O)C[C@H]2C1	1946109617	IVJKDXNFPKVBEY-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1O[C@H](COC)C(=O)NN	1947168109	GFBVDYDGHDOBRC-OPRDCNLKSA-N	246.307	-0.177	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1947203453	PPRZJDDWLNRGNU-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
CCc1c(CN(C)[C@@H](C)C(=O)NN)cnn1C	1947409656	NXNDZTGEHVHWEZ-QMMMGPOBSA-N	239.323	-0.207	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)CC12CCC2	1949812666	YWAAYHJBXDLVSN-SECBINFHSA-N	241.291	-0.857	50	10	BBGE	
CC1(C)CN(C(=O)N2CC[C@@H](B(O)O)C2)C1	1951321069	XTUFOWMCFCVWHT-MRVPVSSYSA-N	226.085	-0.003	50	10	BBGE	
NC(=S)NNC(=O)C1(CF)CCC1	1953810962	YEUOFKHKEAUCCR-UHFFFAOYSA-N	205.258	-0.009	50	10	BBGE	
CNC(=O)C1CN(C[C@@H](O)CCl)C1	1954821702	CPQIPJWJCZLYSS-ZETCQYMHSA-N	206.673	-0.736	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCc1nnn(C)n1	1957318635	OHFHGKWTARXBSW-RXMQYKEDSA-N	217.660	-0.156	50	10	BBGE	
Cc1ncoc1CN(C)CCC(=O)NN	1959175962	BHHGYGZEMWXAQC-UHFFFAOYSA-N	212.253	-0.205	50	10	BBGE	
CC(C)(CN1CC=C[C@H](O)C1)C(=O)NN	1960250149	YHQUAWMZELFDHS-QMMMGPOBSA-N	213.281	-0.765	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC12COC2	1961512972	MXXXRUJWJURBHH-YUMQZZPRSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](CN1CC[S@@](=O)[C@H](C)C1)C(=O)NN	1961554606	VZONDKMOQHHTOI-KDZIRCDLSA-N	233.337	-0.935	50	10	BBGE	
CCC[C@H](NC(=O)C(=O)NN)C(F)(F)F	1962119062	IJZZEESPVUWSEB-BYPYZUCNSA-N	227.186	-0.177	50	10	BBGE	
CC(C)=CCn1cc(B(O)O)ccc1=O	1975101221	OYGSXRZBGVOGTG-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
CC(C)N1CC[C@H](N(C)CCC(=O)NN)C1	1976575994	LZYIVNBAIAHJPY-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
NC(=O)[C@H]1CN(CCCCCl)C[C@@H]1C(N)=O	1978818637	QRUZXRYLTHIXLT-YUMQZZPRSA-N	247.726	-0.476	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217894	YRYLIMLPBNXUEG-KATARQTJSA-N	227.308	-0.544	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC(CF)C1	1981472489	QYMGKXCRYGQVAS-UHFFFAOYSA-N	244.462	-0.180	50	10	BBGE	
C[C@H](OC1CC(n2ccnc2)C1)C(=O)NN	1986220719	BXXCZWCLWHNXNQ-UEJVZZJDSA-N	224.264	-0.018	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCOC[C@H]2C1	1986813693	ADCJKUPNZNQGRP-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CNC(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1	1987160839	HAXXGNPOIPMHCA-LURJTMIESA-N	242.109	-0.240	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC12CC(CO1)C2	1989835260	WCJPIWLYNFNQCQ-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](C)[C@@H]1C	1990774800	NKISYAZLQJJXAR-JGVFFNPUSA-N	229.280	-0.737	50	10	BBGE	
C=C(CN(C)[C@H]1COCCC1(F)F)B(O)O	1992149806	XPIPCPNSPOQVLA-QMMMGPOBSA-N	235.039	-0.089	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1CO	1994832970	LNSYXECARSXDIQ-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCN(Cc1cnn(C)c1)C[C@H](C)C(=O)NN	2003788893	LQRWHWYNHZJALE-VIFPVBQESA-N	239.323	-0.132	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCn1cncn1	2003835230	OLXLGDIWICHNCB-BDAKNGLRSA-N	240.311	-0.776	50	10	BBGE	
CCN1CCN(CCCCC(=O)NN)C(=O)C1	2004289046	JGKAMDVOWBSILJ-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
CC[C@@H]1CCN(c2ncncc2B(O)O)[C@@H]1C	2004912742	XOELVIYJJLPZJW-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
CC[C@H]1CCCN1c1nc(C)ncc1B(O)O	2005015357	ZIWMSQHORCILJG-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@H]21	2015991221	VAUGEUPPWBXIIH-ZRUFSTJUSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncc(B(O)O)cn3)C[C@@H]12	2025799739	DDJWVAHCBOJNTN-WEDXCCLWSA-N	233.080	-0.751	50	10	BBGE	
CO[C@@H]1[C@@H](N(C)C(=O)C(=O)NN)CC12CCC2	2025885592	BQEZQRWZUNDRQW-JGVFFNPUSA-N	241.291	-0.608	50	10	BBGE	
Cc1ocnc1C(=O)Nc1ccc(B(O)O)cn1	2042242791	LDRSGTINUXWVFY-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
COC12CC(C1)N(c1nccc(C)c1B(O)O)C2	2065707944	RDDVGJHJQIWJIQ-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
Cc1nc(NC(=O)C2CC(C)C2)ncc1B(O)O	2069480353	DIRMEVWXSBIDAE-UHFFFAOYSA-N	249.079	-0.551	50	10	BBGE	
Cc1nc(NC(=O)c2ccc[nH]2)ncc1B(O)O	2069480906	MNOHJBMBQYTUND-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
N#C[C@H](Cl)CN1CCNCCNCC1	2209815492	IOLZKQVCUGHDRC-VIFPVBQESA-N	216.716	-0.388	50	10	BBGE	
O=c1ncccn1Cc1cc(B(O)O)cs1	2211073065	VNGZZUFSDCQTEN-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H](C)O)cc1B(O)O	2212604746	SCUXGFWQKOCOCM-HTQZYQBOSA-N	224.069	-0.749	50	10	BBGE	
COC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2212604867	SWYRGQWQQVGDAD-MRVPVSSYSA-N	224.069	-0.483	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1ncccc1B(O)O	2212604952	VFBVOXZRAFRCTE-YUMQZZPRSA-N	224.069	-0.403	50	10	BBGE	
C[C@@H](N)CCCOc1cc(B(O)O)ccn1	2212606100	OJNOSDDDSOOMFM-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2213351715	DGPQGHBQQZOTTI-MWGHHZFTSA-N	241.335	-0.010	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2nccc(B(O)O)c2F)C1	2217182116	ZIEQKHJVQKUXLJ-NKWVEPMBSA-N	239.059	-0.808	50	10	BBGE	
Cc1c[nH]c(=NCCC[C@H](C)O)cc1B(O)O	2217183227	JZGKJVVTNMJPOS-VIFPVBQESA-N	238.096	-0.935	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1nccc(B(O)O)c1F)C2	2217185037	SZRKCFSRUZYGLW-CPCISQLKSA-N	236.055	-0.253	50	10	BBGE	
C[C@](CN)(Oc1cc(B(O)O)ccn1)C(F)F	2217192262	NCQCBSJBPHANRF-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
CO[C@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205357	XSTABIAIACHFAC-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220064624	OVDOIPKIZCBLHL-WCFLWFBJSA-N	246.119	-0.855	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCN1C	2223673566	GKGNVAGXQUIJNI-KOLCDFICSA-N	249.123	-0.344	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncnn1C	2223674689	RBRARKWDKZXTQM-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
O=c1ncc(B(O)O)cn1Cc1cccc(F)c1	2224030676	IIFPGSZJXDYDGW-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2Cl)C[C@H]1O	2241857170	HKWRSWMBVFYEPO-CBQIKETKSA-N	219.668	-0.122	50	10	BBGE	
C[C@H](CSCC1COC1)C(=O)NN	2241888503	JLWMJAKGJPOEFN-ZCFIWIBFSA-N	204.295	-0.008	50	10	BBGE	
CC(C)CN(C)C(=O)c1ncsc1B(O)O	2243358147	DBTBEUQHVKDLOB-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ncsc1B(O)O	2243358683	JGTKQIGSXRNJRN-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H](F)C1	2243361992	KIPZXUULGNPKMD-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C2(B(O)O)CC2)O1	2243363328	FCYJPUUMZWBFQH-ZETCQYMHSA-N	227.069	-0.323	50	10	BBGE	
C=C(F)CN(C)C(=O)c1occc1B(O)O	2243364958	FVVHZXIVYFVPHL-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
C=CCN(C)C(=O)c1cc(C)sc1B(O)O	2243378775	YZDLBYLWPGMKND-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
COc1nnc(NC(=O)[C@H]2C[C@H]2B(O)O)s1	2243380970	BDYWNQWHTBQLAP-IUYQGCFVSA-N	243.053	-0.652	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)C1CC(B(O)O)C1	2243390996	FCFGJEFNWRDOLM-MDVIFZSFSA-N	227.069	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@@H](CF)C1	2243395978	FPQLSCBMTIVDLH-RNJXMRFFSA-N	231.032	-0.954	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1COC2	2243427075	PVSRYAVJLLKFQM-MAUMQABQSA-N	225.053	-0.761	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCCO)C1CC1	2243427708	ZPINHCUDHCLDPF-IUCAKERBSA-N	227.069	-0.777	50	10	BBGE	
O=C(NCCCCF)c1cc(B(O)O)co1	2244218965	CWYVATUOYIMDFE-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@H]1O	2246058021	SCROOVHIENIUKJ-OOJXKGFFSA-N	247.678	-0.092	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1coc(B(O)O)c1	2247723082	QECFEJSNEZCYQG-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1coc(B(O)O)c1	2247736019	RKZMSDXYCAHCGD-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2C[C@H]2C1	2247737780	JTNHFPDQNOMSIO-SFYZADRCSA-N	234.064	-0.824	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1cc(F)ccc1B(O)O	2247751936	FSPAYSORFMPBDR-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247754224	CUJYZMILPSOMPF-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(N1[C@H](CO)[C@H]2CC[C@@H]1C2)C1(B(O)O)CC1	2247756833	ONTUZOJNPWGDCE-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2247768889	AKIPBALACIXTRU-IONNQARKSA-N	234.064	-0.710	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247787455	PIFDVPWDGFELGU-XAVMHZPKSA-N	245.059	-0.517	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(C)c(B(O)O)o1	2247789301	TXLYFOYWFHWQGA-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792713	USJJHIWNPXBHCM-AEJSXWLSSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247792968	VUQVSKJLIMZQAK-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247798967	YQYUTUHMPWMENL-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247799157	ADOOKQVCVRSIQJ-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@]2(CO)C1	2247809005	WYUNAAXAUWIIPE-QCBRBAQYSA-N	239.080	-0.920	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ccc(B(O)O)o1	2247846645	JYZGASOXPALTAC-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(F)(F)F)C(=O)C#CB(O)O	2247849302	YJHHIRWLHZZUBJ-RNFRBKRXSA-N	248.997	-0.341	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCOC[C@@H]1F	2247871427	BBMLLESJKMBZFM-JGVFFNPUSA-N	245.059	-0.421	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCNC1	2247873083	DJWZTNAFRMLDIJ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H](CO)CC1CC1	2247873166	GBPBITNBFYFGQG-VIFPVBQESA-N	241.096	-0.387	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)C1(B(O)O)CC1	2247878158	LVPNFVZDTXYWKH-WPRPVWTQSA-N	239.080	-0.512	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@H]1COC2	2247887033	JJFSKDNGRZFOLF-XKNYDFJKSA-N	239.080	-0.371	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1n[nH]cc1B(O)O	2247887564	PIVHYQKLULGEIQ-SNVBAGLBSA-N	237.068	-0.896	50	10	BBGE	
CO[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887788	RQSUNXLAVZAUSM-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@@](O)(CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247898135	APFXBDCCUYLVQX-BCMRRPTOSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898338	CMQIJUFJBSLJHM-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CC(C)CCN(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2247898986	JBRRSLDPVLEREC-UWVGGRQHSA-N	243.112	-0.284	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900194	UXLDOEFURFXPBI-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248577485	NGVLIGOVIUDCMR-GJMOJQLCSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)CC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2248577925	QBDYXTSPOHLQAE-ZKCHVHJHSA-N	241.052	-0.828	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2248711390	OGFJDKBYDVSUFZ-CAUGXEKISA-N	241.096	-0.219	50	10	BBGE	
CCC1(N(C)C(=O)c2cocc2B(O)O)CC1	2249416688	WABSWPXCPYSSKK-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCC1CC=CC1)c1cc(B(O)O)co1	2249419761	LARNDWCQOHZNNW-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2250687196	IADKSYNJAWTGDV-SDNRWEOFSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]2CC[C@H]21	2255491486	YCHGRHICUFWIFR-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
CC1(CNC(=O)c2n[nH]cc2B(O)O)CC=CC1	2255549754	IFHGQFJUAXQIKA-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
CCN(CCC#N)C(=O)c1cc(B(O)O)cn1C	2255717256	JKKMUCFKBHPPHS-UHFFFAOYSA-N	249.079	-0.919	50	10	BBGE	
C=C1CC(NC(=O)c2c(F)cccc2B(O)O)C1	2255724047	LQDLMZCACYGKCR-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(N[C@@H]1C=CCCCC1)c1c[nH]nc1B(O)O	2255788269	MPKICWMNHGNDHZ-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCCCC1	2257492621	WOFNBCLTLPYJBB-UHFFFAOYSA-N	248.091	-0.304	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2C)ccc1B(O)O	2260836051	CSGWAIMDYPGIAG-LDYMZIIASA-N	247.103	-0.053	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]12	2298368942	CTQXPHCIINTQHT-IIZWTSTJSA-N	238.096	-0.909	50	10	BBGE	
CC[C@@]1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377520	USINMKNRPQDLSZ-SJQPAMGKSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302403842	QFIAKUJROLPHPH-RCWTZXSCSA-N	240.351	-0.221	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CCNC(=O)C2)C1	2303145116	UEHKBRUCXPSACB-MWLCHTKSSA-N	240.112	-0.549	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@H]2[C@H]1CO)C(=O)NN	2303424908	WWTBMIGDOIGTAV-UXCLJVHYSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H]1C[C@H]1CCOc1ncncc1B(O)O	2303560358	SKRGIAMMJWMSIF-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1cc(B(O)O)c(F)cn1	2303835839	CXHFYXZPUFRFOA-RQJHMYQMSA-N	242.034	-0.163	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(B(O)O)ccn1	2312613513	JTLISKCANHTCJK-GDPRMGEGSA-N	248.091	-0.889	50	10	BBGE	
CC12CC(C1)[C@H](Nc1cc(B(O)O)ccn1)CO2	2315943758	QGTOWVKUSPDGGC-KRBLXSNTSA-N	248.091	-0.259	50	10	BBGE	
CNC=C(C#N)C(=O)NCCCC(=O)O	2325008762	REKDOGILFJCLLT-UHFFFAOYSA-N	211.221	-0.406	50	10	BBGE	
CO[C@H]1NC(=O)C(OC)(OC)[C@@H]1Cl	39347080	YRSKQPLHRGDHDT-RFZPGFLSSA-N	209.629	-0.315	50	10	BBGE	
C[C@@H]1CCc2n[nH]c(=O)c(C(=O)NN)c2C1	77060492	GOLAIWGJTHEPKS-RXMQYKEDSA-N	222.248	-0.502	50	10	BBGE	
NNC(=O)CCCSc1nnc(N)s1	82472891	DPKRCFRRBBKXGD-UHFFFAOYSA-N	233.322	-0.018	50	10	BBGE	
C[C@@H](Sc1nncn1N)[C@H](C)C(=O)NN	86314050	KICQZXRWMQGOFM-CRCLSJGQSA-N	230.297	-0.902	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)CCCC(=O)NN	134790061	RXLFYSUCDFEZKK-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)C1	149080907	TUFVHOJVGBOZHZ-LURJTMIESA-N	201.226	-0.421	50	10	BBGE	
N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1B(O)O	199117501	IEFBZGWJGRMSDE-IWSPIJDZSA-N	226.085	-0.883	50	10	BBGE	
Cc1ccn(Cc2cccc(B(O)O)c2)c(=O)c1	203074700	AKUFQMGYPJSWHX-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CC(=O)Nc1cccc(B(O)O)c1NC(C)=O	204771937	HUBBOOBGEPWRNU-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
NNC(=O)C[C@@H]1CCCS(=O)(=O)CC1	215804670	QSLYJRUFBSFJBA-SSDOTTSWSA-N	220.294	-0.419	50	10	BBGE	
COC(=O)CNS(=O)(=O)CCCl	220244152	ZQRVNZIEFJZUBV-UHFFFAOYSA-N	215.658	-0.682	50	10	BBGE	
C[C@H](O)CN(C)S(=O)(=O)CCCl	232299362	YDFHCTBRFNKYDL-LURJTMIESA-N	215.702	-0.132	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1ccnnc1	234551465	UVSANXYLONSQOM-ZETCQYMHSA-N	243.650	-0.013	50	10	BBGE	
C[C@@H](CN1CCC([C@@H](C)O)CC1)C(=O)NN	235245693	LLHHPVDOJNVZPP-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CCCN(CCO)[C@H](C)[C@H](C)C(=O)NN	252604755	PBRROCIBMJBSCH-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
Cn1cc(CN[C@H]2COC[C@@H]2Cl)nn1	306503571	WLPVUCGJVSCYCK-YUMQZZPRSA-N	216.672	-0.089	50	10	BBGE	
CN/C(SC)=C(\C#N)c1nnn(C)n1	306782646	FWODRFMZPLNZSS-ALCCZGGFSA-N	210.266	-0.015	50	10	BBGE	
CS[C@@H]1CCN([C@@H](C)C(=O)NN)C1	307452974	ULPLYFBXMFLXKT-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
NNC(=O)[C@H](C(=O)O)[C@@H]1CCCC[C@H]1O	308719340	PXQLPPSFYUQIFW-FSDSQADBSA-N	216.237	-0.772	50	10	BBGE	
Nc1nc(CCl)nc(NCCOCCO)n1	309274364	FDJHZXVOFRBCMV-UHFFFAOYSA-N	247.686	-0.387	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[S@@](=O)CC1	321851305	HEBXQDXOUXYVAQ-VXJOIVPMSA-N	233.337	-0.791	50	10	BBGE	
O=C(CCl)Nc1n[nH]c(CCCO)n1	379390779	NFGRHSHJNPEHDS-UHFFFAOYSA-N	218.644	-0.093	50	10	BBGE	
CCCN([C@@H](C)C(=O)NN)[C@@H]1CCOC1	379845144	HSJVRIBWGXWYTP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CO[C@@]1(C)CCN(Cc2ccc(B(O)O)cc2)C1	381312640	DHTXEUYLJRERIT-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H](O)CC1	381971431	CCNJGLNMAKUNFR-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)C1CC(N)C1	384948639	VCWXORHZXAIWKG-UHFFFAOYSA-N	249.318	-0.054	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1CCC(=O)NN	390808655	OUIWATVBCSDYMN-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)C(=O)NCC1(C2CC2)CCC1	393644447	FFROEKKECGCNCX-UHFFFAOYSA-N	211.265	-0.327	50	10	BBGE	
CCC(=O)c1cccc(OC)c1B(O)O	396030228	HWHMCDINFXFPRI-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
N#Cc1c(B(O)O)sc2c(CO)cccc12	396215645	GFHUERPEWFVNAK-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1csc2cc(O)c(B(O)O)cc12	396387327	SRIPJKNHRKBTOU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCc1cnn(C[C@@H]2CC[C@@H](C(=O)NN)O2)c1	402038623	HTXQQWUYWMFBNK-UWVGGRQHSA-N	238.291	-0.017	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1COC(=O)N1	497019405	SSRSCSMZVUOSBR-YFKPBYRVSA-N	245.235	-0.349	50	10	BBGE	
CN(C)CCC(=O)N1CCC(O)(C#N)CC1	692106535	IRLQKDNQHRNSHN-UHFFFAOYSA-N	225.292	-0.185	50	10	BBGE	
CCN1CC[C@H](N(CC)[C@@H](C)C(=O)NN)C1	694928105	URPOOQYAUAYPJW-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
O=C(NCB(O)O)c1ccc(Cl)cc1O	702032555	PASBHHASJGPIFA-UHFFFAOYSA-N	229.428	-0.213	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CC(C(N)=O)C1	703485998	CUPTZPLRFYNVCC-PZYMCFGQSA-N	242.323	-0.803	50	10	BBGE	
C[C@H]1CN(CCC(C)(C)C(=O)NN)C[C@@H]1CO	708131645	VTBKTJIUIMMYKP-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CN(C(=O)CCCl)[C@H]1COC[C@@H]1O	709105493	BSHGWTZUFGYWHC-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
CN1CC[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	710095419	RHHCMWSYUHWDJX-CIUDSAMLSA-N	224.260	-0.393	50	10	BBGE	
C[C@H](C(N)=O)N(C)S(=O)(=O)CCl	711061457	MRYYGWJNAVOCFA-SCSAIBSYSA-N	214.674	-0.682	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1CCc2cc(B(O)O)ccc21	712218993	KUPMSVFGMBVQEU-KCJUWKMLSA-N	245.087	-0.089	50	10	BBGE	
COC[C@@H](Sc1cccnn1)C(=O)NN	712403370	BXDILWYHKLNWNX-ZCFIWIBFSA-N	228.277	-0.426	50	10	BBGE	
NC(=O)NN=C(CBr)C(=O)O	714570632	YABBHBMYRWYPJM-UHFFFAOYSA-N	224.014	-0.510	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2C[C@H]2C1=O	715703765	REVUXVXKRWEIBH-POYBYMJQSA-N	235.243	-0.139	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCC1CC2	722806614	NPUXZAWSNAHXNY-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
O=C(CCl)N1C[C@H]2CCS(=O)(=O)[C@H]2C1	725701650	BLNCKKKMKBNRKU-RQJHMYQMSA-N	237.708	-0.129	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)nc1O	822243563	CRLSVVPUJUQWFY-UHFFFAOYSA-N	240.263	-0.067	50	10	BBGE	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC	1073364009	RXBVITNXZOEEFD-XPUUQOCRSA-N	201.270	-0.212	50	10	BBGE	
Cn1cccc1C(=O)C(=O)NNc1cnnn1C	1306848133	LGIYKFWMNQEXNG-UHFFFAOYSA-N	248.246	-0.520	50	10	BBGE	
CCOCC(=O)NN=Cc1cncnc1	1324473262	HBXXTLIXVMXCIO-UHFFFAOYSA-N	208.221	-0.037	50	10	BBGE	
C/C(C#N)=C\CN1C(=O)NC2(CC(O)C2)C1=O	1473076378	KTLMBKVVXJSWSO-FARCUNLSSA-N	235.243	-0.098	50	10	BBGE	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)N(C)C	1544264833	BMQNGJBVBIMMNI-ZETCQYMHSA-N	245.279	-0.122	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN=c1cc[nH]cc1	1567459195	ZYSLJQHRUJVEJC-PKRMOACSSA-N	207.233	-0.116	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCn2cncc2C1	1583197726	LWIXETZWYPPQHX-ZETCQYMHSA-N	237.263	-0.594	50	10	BBGE	
CCC(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1645050228	JQOTYADXABDTNG-UHFFFAOYSA-N	234.219	-0.525	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@@H]1N	1877519642	GVFARTNCKHSSSD-VGRMVHKJSA-N	218.684	-0.202	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2COC[C@H]21	1881023536	WMVQPZKQNXAJMG-PHDIDXHHSA-N	211.670	-0.157	50	10	BBGE	
C#C[C@@H](CBr)NC(=O)c1cnn[nH]1	1881932238	JGTUMJMGXOXDRG-YFKPBYRVSA-N	243.064	-0.069	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](Cl)C#N)C[C@@H]1N	1882163653	ZATHCSUAPRPJLA-BIIVOSGPSA-N	203.673	-0.225	50	10	BBGE	
C=C(CN=[S@@](C)(=O)N(C)C)B(O)O	1883744630	OTUZNVARUJXLPV-CYBMUJFWSA-N	206.076	-0.871	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCl	1883965135	PGYWBUVFEOJETN-BWZBUEFSSA-N	209.673	-0.986	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)F)C[C@@H]2N1	1887188661	SYDAOHBVNZLQPM-NTSWFWBYSA-N	202.185	-0.335	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@@H]1CF	1896036880	KECMGHKPHBCCLP-XHNCKOQMSA-N	231.271	-0.717	50	10	BBGE	
CN(NC(=O)[C@@]12C[C@@H]1CCCN2)S(C)(=O)=O	1901339865	UXUDMXXOOIYJCA-IONNQARKSA-N	247.320	-0.949	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902538649	FPHGEARTVCHHDJ-HRDYMLBCSA-N	247.125	-0.337	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]3C[C@@H]3C2)n1	1902637512	MRSHBAVOFIVFGK-JGVFFNPUSA-N	238.121	-0.335	50	10	BBGE	
C[C@H]1C[C@H](OCc2nc(B(O)O)cs2)CO1	1902658630	QPSYIXOTSYKYEL-BQBZGAKWSA-N	243.093	-0.483	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	1907072906	RJQHRUYBCQCQDB-WCABBAIRSA-N	232.092	-0.004	50	10	BBGE	
COc1ccc(OC)c([C@@H](N)B(O)O)c1	1912278048	QAAIFDOVEKDDIS-SECBINFHSA-N	211.026	-0.284	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(CCC[C@H]2O)C1	1918418888	QKQUYOROTAOZIW-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](C=NNC(=O)CO)NC(=O)OC(C)(C)C	1923411182	RZZTULIOZPJUIR-ZETCQYMHSA-N	245.279	-0.006	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927916820	RQQAKDDEZOUQKM-XHNCKOQMSA-N	215.297	-0.827	50	10	BBGE	
CN(CCCl)C(=O)Cn1cncn1	1928690985	USNXKOHAWFFJKI-UHFFFAOYSA-N	202.645	-0.025	50	10	BBGE	
O=C(NNCCO)N1C[C@H]2CCC[C@H]2C1	1929830919	SGQXBLUTWQEOQA-DTORHVGOSA-N	213.281	-0.075	50	10	BBGE	
CC1(C)[C@H]2CC(NC(=O)C(=O)NN)C[C@@H]21	1930226372	OXAOZZOEDRUMEI-BQBZGAKWSA-N	211.265	-0.473	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC(F)(F)CO	1931080512	JTHHBGABEIPGPZ-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C[C@H](CC(N)=O)N1CCC(O)(C#N)CC1	1931307201	RADFJZDSWSYUAD-MRVPVSSYSA-N	211.265	-0.399	50	10	BBGE	
NNC(=O)N1CC[C@@H]2OCCO[C@H]2C1	1931634013	BEKXQAWRJNUDKH-BQBZGAKWSA-N	201.226	-0.941	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)C(F)(F)C1	1931830145	BVTQQFNUKBPSHK-SCSAIBSYSA-N	235.639	-0.176	50	10	BBGE	
C[C@@H]1[C@H](CN(C)C(=O)C(=O)NN)C1(F)F	1933032928	RQSUICNGBDUQIC-UHNVWZDZSA-N	221.207	-0.664	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(SC)C1	1933239930	TURZXDDAHVIMCM-SSDOTTSWSA-N	219.310	-0.962	50	10	BBGE	
CC(C)c1ncn(CCOCC(=O)NN)n1	1936532597	XMZKNLZHKVTGPV-UHFFFAOYSA-N	227.268	-0.592	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1F	1937151560	ATHQLOIAJJBQMT-RBXMUDONSA-N	231.271	-0.719	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@@H]2COC[C@H]21	1940444403	YPQIXKRUNBDKBY-VVULQXIFSA-N	237.255	-0.062	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](CO)C(C)(C)C	1941072034	HSXIBWQFLYJULD-IVZWLZJFSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(n2cccn2)C1	1941085610	MXDIBFMPZLUSDS-WPRPVWTQSA-N	235.291	-0.634	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@H]1C1CC1	1941123373	WZOXUYDTSOQGGR-MXWKQRLJSA-N	239.319	-0.277	50	10	BBGE	
CC[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)NNCCO)C1	1944215940	PBIXSFMYUMJGSC-YIZRAAEISA-N	244.291	-0.264	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)[C@@H]1CCOC1	1946755996	YOBHVUFADCKGKM-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CN(C)[C@H]1C[C@@H]2COC[C@@H]2C1)C(=O)NN	1950247717	ZNQWBHLZUVMHFV-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@@H](O)CBr	1953618684	UZDLXJXADNLBIU-RITPCOANSA-N	239.113	-0.452	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCNS(C)(=O)=O	1957318998	REKPOIOEMNQLRM-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
CCCOC1(CNC(=O)C(=O)NN)CC1	1957644477	QLJOJLHFYUFKLW-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCOC[C@H]1C(N)=O	1958796992	FRVKQMUSGIMASA-RQJHMYQMSA-N	234.683	-0.284	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)NN)CCS1(=O)=O	1959082461	CQRPWPPNZCKXQH-BQBZGAKWSA-N	235.309	-0.627	50	10	BBGE	
CCN(C[C@H](O)CCl)[C@H]1CC(=O)NC1=O	1961459205	ZXHVRMOVGRCHRP-RQJHMYQMSA-N	234.683	-0.677	50	10	BBGE	
C[C@H](F)CNC(=O)c1cc(B(O)O)ccc1F	1962944741	TWPGTMBLGBRLSC-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
C[C@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	1975100838	JUOBAJIENRKPIJ-JGVFFNPUSA-N	207.038	-0.816	50	10	BBGE	
C[C@H]1C[C@H](CCn2ccc(B(O)O)n2)CO1	1976358831	WAHPNOROJHCKNZ-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)c1ccnn1C	1981560039	JKNTYJLQDDTQJY-UHFFFAOYSA-N	223.280	-0.374	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@]1(C)CCOC1	1982705045	NYRJHEKNIVCDGJ-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC2(F)F)c(F)c1	1985886109	ZCPKKFOEEAPVCC-ZCFIWIBFSA-N	232.954	-0.313	50	10	BBGE	
C[C@]1(CCO)CCN1CC1(C(=O)NN)CC1	1994706727	IELTWSNVKYMTOB-SNVBAGLBSA-N	227.308	-0.397	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2(C)CCC2)n1	1995606369	HKHGIXZHWOQFPF-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
OB(O)c1cnc(N2CCC(CF)CC2)nc1	2004916831	QMJBVLOMUKWHLS-UHFFFAOYSA-N	239.059	-0.658	50	10	BBGE	
OB(O)c1cnccc1N1CC(OC(F)F)C1	2004928118	AYRBYNHQZWNKTO-UHFFFAOYSA-N	244.006	-0.811	50	10	BBGE	
C[C@H]1COCCN(c2ncccc2B(O)O)C1	2004936162	VQYYVBYWPMIHDK-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2005804599	CBRYRBRQELLWOC-XZBKPIIZSA-N	245.229	-0.522	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1CC(N)=O	2011913227	SIKAVMZRFVOFHZ-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@]2(CC[C@@H]2O)C1	2013328022	HMOUGODJVKTNKA-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCN(C)CC1	2019208943	CLDKMYDORGVFPW-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
CCn1nccc1COc1cncc(B(O)O)c1	2033257476	FJSBBISEGFFXGD-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccccc1CC(=O)NN	2062246890	SYKFIZZNUAADAJ-BXKDBHETSA-N	249.314	-0.216	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1	2079007908	BJTAKJVASUZMEU-KOLCDFICSA-N	249.075	-0.869	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)N1CC[C@H](B(O)O)C1	2208731524	HLRNOGIABARYCY-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)C[C@]1(Cl)C(=O)NCB(O)O	2209335007	QLBPNBXSKXPMTH-ZETCQYMHSA-N	205.450	-0.478	50	10	BBGE	
CNCCSC[C@H]1CC[C@@H]1C(=O)NN	2209906474	JTSKFEWTWSIYKO-SFYZADRCSA-N	217.338	-0.045	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1ccc(B(O)O)cn1	2212608902	MGHYZLBZOXHMNO-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCNC1	2217172996	NUZJZVTWYYTEPK-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
CC(C)(O)C(C)(C)Nc1ncccc1B(O)O	2217175379	HZXWFPVHBXAGKI-UHFFFAOYSA-N	238.096	-0.277	50	10	BBGE	
Cc1cnc(N(C)CCN(C)C)cc1B(O)O	2217179097	GIBCLWARWYTFFU-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
COC1CC(Nc2cc(B(O)O)c(C)cn2)C1	2217182228	ASZIHGHCMGNIJQ-UHFFFAOYSA-N	236.080	-0.341	50	10	BBGE	
Cc1cnc(O[C@@H]2CCN(C)C2)cc1B(O)O	2217182544	DZHGKTIIHCXKDA-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC(C)(C)C#CCN=c1ccc(B(O)O)c[nH]1	2217185075	YCILSLIECFNROG-UHFFFAOYSA-N	232.092	-0.355	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CC=CCC2)nc1	2217193736	WWZXALLFKGAONY-VIFPVBQESA-N	234.064	-0.109	50	10	BBGE	
CC[C@H](COC)Oc1nccc(B(O)O)c1F	2217195341	IUPZCDTUGIYDEM-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
OCCC1CC(Nc2cc(B(O)O)ccn2)C1	2217203768	ABWYKMKNIYCWKR-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
N=c1ccc(COc2ccc(B(O)O)cn2)c[nH]1	2223627924	RXBGFGINIKCUES-UHFFFAOYSA-N	245.047	-0.852	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccncc1	2223636985	BVGOLQFVGMIWRO-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
C[C@H](C#N)CN(c1ccc(B(O)O)cn1)C1CC1	2223637610	GIMXHLMQIUUOLS-SECBINFHSA-N	245.091	-0.110	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3NCC[C@@H]32)cc1B(O)O	2223639941	HYUZSLQFUZCXBO-JMJZKYOTSA-N	248.091	-0.801	50	10	BBGE	
CCN1CC[C@@H]1CNc1cc(B(O)O)c(C)cn1	2223653981	WTDXULIMUYTUGO-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(B(O)O)cn1	2223661749	QWLNMCVZYHOMKB-SCVMZPAESA-N	248.091	-0.734	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2223672098	DAGAFDRNDJSPPM-LLHIFLOGSA-N	246.119	-0.113	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCCCN1	2223676002	ZYEIDGYKZOZZII-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCCNCC1	2223679942	WNOWHVIMIWMYEB-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
Cc1ccc(Oc2ncncc2B(O)O)c(C)n1	2223754512	ZHYMNLGLOFITOO-UHFFFAOYSA-N	245.047	-0.039	50	10	BBGE	
O=S(=O)(NCCCO)N1CC(Cl)C1	2241338431	LZFSGEXTBXZWBM-UHFFFAOYSA-N	228.701	-0.874	50	10	BBGE	
CCCNC(=O)c1ccsc1B(O)O	2241468968	XUXJLVQBNQVQKR-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
COC[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2241480822	MLJAJHRXHNAOBV-ACZMJKKPSA-N	201.031	-1.000	50	10	BBGE	
Cc1cc(C(=O)N(C)C)c(B(O)O)s1	2241494639	ANQJVWIRIZPLLL-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
O=C(NCCCCF)[C@H]1C[C@@H]1B(O)O	2241496544	UPFMJEHAYDRYHA-BQBZGAKWSA-N	203.022	-0.285	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)s1	2243350080	VFGIJWAVTNWYAU-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)c[nH]2)[C@H]1C	2243362455	RDUMDLUGPCUEDW-WDSKDSINSA-N	222.053	-0.921	50	10	BBGE	
C=C(C)CNC(=O)c1cncc(B(O)O)c1	2243376913	RJQSMJRBBFRYHA-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243390976	DWXYJAKJSLEMMS-JBDRJPRFSA-N	229.085	-0.629	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc(O)c1	2243398412	DIVBHWVXKCTTLJ-UHFFFAOYSA-N	219.005	-0.976	50	10	BBGE	
CC[C@H]1CC[C@H](CNC(=O)C#CB(O)O)O1	2243404973	XNJNTRRVCIAJRC-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cn1	2243407603	VXHKCWYAZDAIEW-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
CP(C)(=O)CNC(=O)c1ccoc1B(O)O	2243408238	JPSHSZSNOYTMFX-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
CC1(C)CN[C@@H]1CNC(=O)C1(B(O)O)CC1	2243409989	SPEMGKBSXQXFOX-SSDOTTSWSA-N	226.085	-0.892	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243410027	UBLTXAZQRYCEMV-SFYZADRCSA-N	226.085	-0.940	50	10	BBGE	
CC(=O)NC(=O)c1ccc(B(O)O)cc1Cl	2243441158	DGZLLJYXTZKAIW-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C=CCOC2)c1	2244089327	ZNCJQDZDZBNMNM-SECBINFHSA-N	221.021	-0.905	50	10	BBGE	
COCCN(CCCC(=O)NN)C[C@@H](C)O	2244885937	MSABLNAZRYXAQE-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
C[C@H](CCN)Nc1cc(B(O)O)c(Cl)cn1	2245912505	BBHGDTCMBHNZBQ-ZCFIWIBFSA-N	243.503	-0.436	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1coc(B(O)O)c1	2247732407	FFBBLKSLUCZTHX-KWQFWETISA-N	235.048	-0.368	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2coc(B(O)O)c2)C[C@H]1C	2247736020	RKZMSDXYCAHCGD-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCc2ccoc21	2247743451	DNEWNGQPVOLLKQ-VIFPVBQESA-N	233.032	-0.211	50	10	BBGE	
CN(C(=O)c1c(F)cccc1B(O)O)C1CC1	2247752195	KNVXEBUYNZQFSS-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]2F)cc1B(O)O	2247760501	JAFUPXZFAMSUCQ-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247770868	RLGDBTSTPXBDKP-VIFPVBQESA-N	234.064	-0.710	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247789808	BPZIRWNEYXBZFV-HRDYMLBCSA-N	241.096	-0.531	50	10	BBGE	
CC[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247798762	WYKCKLVJECKJPJ-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCCC12COC2	2247799483	DPDJJMWRMXAQTQ-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CN(C1CC1)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247808258	UFYKBTRKOAUHDI-VHSXEESVSA-N	238.096	-0.846	50	10	BBGE	
COc1cccc(N(C)C(=O)C#CB(O)O)c1	2247851473	YYMFDPVHKKWEAJ-UHFFFAOYSA-N	233.032	-0.327	50	10	BBGE	
O=C(Nc1ccns1)c1ccc(B(O)O)cn1	2247851619	HMMGTEPSBVPGSS-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC#CCNC(=O)c1ccc(C)cc1B(O)O	2247853581	OKJGKGKZKPOLMM-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1occc1B(O)O	2247879112	QNUUUSBTEBXDNG-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1N	2247894535	HUQDHWUMPGPZST-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
CN1CCC(C)(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247894807	KXQCMOMHXUOGBX-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	2247896299	YDSHWMGQXAZRBR-JQCXWYLXSA-N	241.096	-0.221	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(N2CCC2)C1	2247911906	YNXVRKWYHLMZHJ-UHFFFAOYSA-N	238.096	-0.844	50	10	BBGE	
Cc1c(C(=O)OC(C)(C)C)nn(C)c1B(O)O	2247981987	WHDZXUKXDYQQLV-UHFFFAOYSA-N	240.068	-0.636	50	10	BBGE	
Cc1c(COCC2COC2)cccc1B(O)O	2248215533	NWUVBCIJOYJKDE-UHFFFAOYSA-N	236.076	-0.162	50	10	BBGE	
CC(C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)CC(=O)O	2248586571	CSNMDYCNPPSXLI-RQJHMYQMSA-N	243.068	-0.534	50	10	BBGE	
CCCONC(=O)c1ncc(B(O)O)cc1C	2248967662	BSXROTAGACGJGD-UHFFFAOYSA-N	238.052	-0.859	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2249853951	WONMCHPHTTZERW-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cc(B(O)O)oc1C	2255444985	QXANJOUCYSETQR-VIFPVBQESA-N	247.059	-0.494	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(C)cc1B(O)O	2255512253	XDTPNUCWDHWHDT-JTQLQIEISA-N	243.071	-0.477	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255521896	CIDLCNHENUSMRA-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
CCCC1CN(C(=O)c2cncc(B(O)O)c2)C1	2255736104	GSJRFLJHHMCPTO-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(NCCCc1cccnc1)[C@H]1C[C@@H]1B(O)O	2255772049	ZUMPHOQSXTZTSX-QWRGUYRKSA-N	248.091	-0.007	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H]2CC[C@H]2C(=O)NN)C1=O	2298165366	WQLLIHOOJAJHEZ-BIIVOSGPSA-N	239.275	-0.603	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2298209107	JQCAORLDKPURHF-GMOBBJLQSA-N	239.319	-0.277	50	10	BBGE	
C[C@]1(O)CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369458	VDUQOZGYSDSSDO-REIXXSIJSA-N	241.096	-0.341	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369670	BDQUTSZOXVLRAN-SGIHWFKDSA-N	240.112	-0.552	50	10	BBGE	
Cc1cnc(OCC2CN(C)C2)c(B(O)O)c1	2298955553	SONZWOOVRHPBMB-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H]2C[C@H]21	2301341797	SVJOQZGURAWLOG-QPUJVOFHSA-N	228.060	-0.163	50	10	BBGE	
C[C@H]1CNC(=O)CN1[C@H](C)CCCC(=O)NN	2302050818	UQJHAYMJMOGUJW-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
COc1ccc(CN(C)[C@H](C)C(=O)NN)nc1	2307220319	OZTRSSVBARXMEC-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC[C@@H]2C[C@H]12	2309538465	ZPORZQDNEKWKFB-YWVKMMECSA-N	247.107	-0.219	50	10	BBGE	
C[C@]12CC[C@](C)(C1)N(c1ncncc1B(O)O)C2	2313224396	DPAXDHAKXRZNJE-NWDGAFQWSA-N	247.107	-0.075	50	10	BBGE	
CO[C@H]1C[C@H](Nc2ccc(B(O)O)cc2C#N)C1	2317162770	LNYXNLNKHMYQKD-XYPYZODXSA-N	246.075	-0.173	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1C[C@@H](O)C1	2317165845	OSXNTVPOHKJVCL-PHIMTYICSA-N	246.075	-0.802	50	10	BBGE	
Cn1c(C(=O)NN)nc2cc(O)ccc21	75848611	LBUAVFRBZJZSOP-UHFFFAOYSA-N	206.205	-0.118	50	10	BBGE	
C[C@@H](CN(CCC#N)C1CC1)C(=O)NN	82469947	HWFVKAQNTLHRLR-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)CN1CCN(CC2CC2)CC1	82471206	UTPYPHUVLBCXHZ-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN(C)C	82544089	ZGPKIHXFHLXNOC-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC2CCOCC2)O1	104111507	AIRKJDQPVOLDFA-UWVGGRQHSA-N	244.291	-0.281	50	10	BBGE	
Cn1c([C@H]2CCCN2)nnc1[C@@](C)(O)C#N	106366069	RZPWESDCLBMIPT-XCBNKYQSSA-N	221.264	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(CC(N)=O)CC1	110598602	LYDWAESHQGKIFP-SECBINFHSA-N	242.323	-0.658	50	10	BBGE	
Cc1cc(CN2CC(=O)OC(=O)C2)on1	111218217	AOLAARDXEKBGSK-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
CCc1cnc([C@H](C)NC(=O)C(=O)NN)s1	126304733	DZTWKIOMQCMQHK-YFKPBYRVSA-N	242.304	-0.127	50	10	BBGE	
N#CC[C@@](N)(CCCCB(O)O)C(=O)O	198058704	LRYKKEICDSJOQW-QMMMGPOBSA-N	214.030	-0.675	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](N)C1	203222963	OYDUHZNYGHJEJR-YUMQZZPRSA-N	200.286	-0.966	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467973	DLPRPZJCUAHZMI-ZJUUUORDSA-N	229.324	-0.295	50	10	BBGE	
COc1ccc(NC(C)=O)cc1B(O)O	238372347	XSPLOLPFXRODNU-UHFFFAOYSA-N	209.010	-0.667	50	10	BBGE	
Cc1nn(-c2cscn2)cc1B(O)O	238537292	KZGYGNFMNOPVPB-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
COC[C@@H]1CCN([C@H](C)CC(=O)NN)C1	251718468	YWFMCIDOXDWMFI-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](C)[C@H](C)C(=O)NN	252604735	PAXRQWFKLITCNN-DTWKUNHWSA-N	244.339	-0.412	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@](C)(O)C1	300027350	CBCNRHIRJQHAMC-SCZZXKLOSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1O	306732452	MLMFNCPXIJKUKL-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
COc1c(F)c(F)cc(F)c1B(O)O	306875043	BNZAOPBCKFRVNC-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
Nc1c(B(O)O)cc(O)c2ccsc12	307078388	FEWPHRMCWBMHQM-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(CBr)NC[C@H]1CNC(=O)C1	307125161	SZLSNNXVMGEPGM-RXMQYKEDSA-N	235.081	-0.366	50	10	BBGE	
O=S(=O)(CBr)N1CCOC1	307584663	JBOGQODHYJWDCT-UHFFFAOYSA-N	230.083	-0.042	50	10	BBGE	
O=c1cnccn1Cc1cc(F)cc(B(O)O)c1	310948787	QMLBPXSTYINWPJ-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
NC(=O)NN=C1C=CC(=O)C(CCO)=C1	379698179	LBOHPKQEBJYFMG-UHFFFAOYSA-N	209.205	-0.542	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCCn1cncn1	379869683	PYUAWCKZWBERRV-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@@H]3C2)O1	380336329	HBYHGKNTXMGMOT-KYXWUPHJSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H](C)C(=O)NN)[C@H]1C	380338119	IZUITVKBXZLYMR-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CNC(=O)CC1CN(C(=O)NC(=O)CCl)C1	382188744	NFHWGJYRNGRGCJ-UHFFFAOYSA-N	247.682	-0.471	50	10	BBGE	
O=C(CCCl)N(CCO)CCCO	385344310	MAIZZXUACJPXHO-UHFFFAOYSA-N	209.673	-0.181	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CCC(=O)NN	385716286	RPFPJPRIDKWRIT-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CCN(CCO)Cc1nc(C(=O)NN)co1	386658299	MBCYBVIBGPYWOG-UHFFFAOYSA-N	228.252	-0.908	50	10	BBGE	
CCC[C@@H](OC(COC)COC)C(=O)NN	390654913	OMEXMJJXKKIXBA-SECBINFHSA-N	234.296	-0.177	50	10	BBGE	
Nc1cc(C(=O)O)c2sccc2c1B(O)O	396237572	GDZGLWSRGODUSJ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1[C@H](C)CC(=O)NN	399428755	QJOZLIYTLNBRDY-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
CN(CCC(C)(C)C)C(=O)C(=O)NN	399807613	FCFDHCQYZWHNFD-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401711488	UESZFTTVNRUOJN-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](NC(=O)NC1CC1)c1ccc(B(O)O)cc1	405153854	UWTKXVKOHNBLPM-MRVPVSSYSA-N	248.091	-0.111	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	688395812	SOJFSALLOOHWAK-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]2C[C@@H]21)C(=O)C(=O)NN	694428486	ACNHTHNFZUEVQP-CIUDSAMLSA-N	225.292	-0.129	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1n1cc(B(O)O)cn1	694534689	FRUNTLZIXVGGIY-NXEZZACHSA-N	224.069	-0.307	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CC#N)CC#N	695075284	CATQXBJVRXZOTR-SECBINFHSA-N	223.280	-0.260	50	10	BBGE	
CO[C@]1(C(=O)NN(C)C)CCCNC1	697280998	DHDNVIRWTGKHDG-SECBINFHSA-N	201.270	-0.652	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2cnn(C)n2)c1	699670606	ONZNNTRPLVFVLD-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](CCF)C1	700560434	JKUTWIHYQTXUQP-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
O=C(NCB(O)O)c1cc(C2CC2)on1	701955516	NKYHSVMZTMJXEN-UHFFFAOYSA-N	209.998	-0.706	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](N2CCC2)C1	702306491	QZSMDHIDGCIMRI-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)N	704704898	BCCSJWSGWSAFIQ-RITPCOANSA-N	202.258	-0.599	50	10	BBGE	
COC[C@@H](C(=O)O)N1CCC(O)(C#N)CC1	709394002	NBRDTDHEBIHGGF-QMMMGPOBSA-N	228.248	-0.564	50	10	BBGE	
C[C@@H](c1cn(C)cn1)N(C)[C@H](C)C(=O)NN	710169602	VPZYSNCCSVJJFG-JGVFFNPUSA-N	225.296	-0.209	50	10	BBGE	
CC(C)C(=O)NNS(=O)(=O)N1CCC[C@@H]1C	769858468	FKPPHKMMUMXPDH-QMMMGPOBSA-N	249.336	-0.008	50	10	BBGE	
COC(=O)CCCCC(=O)NN(C)C(N)=O	779829894	ULILBPWIKKGCMA-UHFFFAOYSA-N	231.252	-0.239	50	10	BBGE	
CNC(=O)CC(=O)NNc1cccc(F)n1	804771501	AGZSXPVTWLZZLB-UHFFFAOYSA-N	226.211	-0.200	50	10	BBGE	
CC(C)[C@@H](O)CC(=O)NN(C)C[C@H](C)O	821217662	NXOWHEBUTNGEBE-IUCAKERBSA-N	218.297	-0.263	50	10	BBGE	
Nc1ncc(C=NNC(=O)C2CC2)c(N)n1	842519723	QUZKRGAKMUDZGU-UHFFFAOYSA-N	220.236	-0.499	50	10	BBGE	
NC(=O)C(=O)NN=C1CCCN2CCCC[C@@H]12	848398670	BOXUQCFLFXITTH-VIFPVBQESA-N	238.291	-0.408	50	10	BBGE	
C[C@@H]1OCCC1=NNC(=O)c1cn(C)nn1	853386203	XZXCAIYAIRJFGE-LURJTMIESA-N	223.236	-0.290	50	10	BBGE	
CCn1ncc(C(=O)NN(C)C(=S)NC)n1	854922019	VBJUQDCIHHBIPK-UHFFFAOYSA-N	242.308	-0.621	50	10	BBGE	
NNC(=O)c1cc(NN)ccc1[N+](=O)[O-]	1088679950	UOMXYZJKCGKZKC-UHFFFAOYSA-N	211.181	-0.516	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@]1(C#N)CCCOC1	1292130201	BQFIULVMFORUEZ-SNVBAGLBSA-N	240.263	-0.343	50	10	BBGE	
O=C(CCl)N1CCN(c2nccnn2)CC1	1330273417	CTHGQLNDSILZSP-UHFFFAOYSA-N	241.682	-0.241	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)c1ccnnc1	1630210527	VCIAYSBHEQKXOE-UHFFFAOYSA-N	236.231	-0.393	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(B(O)O)cc1	1643698057	OIPOYRXGXKKLRX-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NN)C[C@@]1(C)O	1876428642	RNGCZOBHLUXINL-VXNVDRBHSA-N	201.270	-0.931	50	10	BBGE	
NC[C@H](NC[C@@H]1C[C@@H]1Br)C(=O)O	1877423250	PCPAXPRZYZHUTA-ZLUOBGJFSA-N	237.097	-0.229	50	10	BBGE	
N[C@@H]1COC[C@H]1NC(=O)C=CC(=O)Cl	1878148819	NHEOKCSWJONHAU-PHDIDXHHSA-N	218.640	-0.850	50	10	BBGE	
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NN	1879945899	VPRLXFARCFPOLJ-RXMQYKEDSA-N	219.241	-0.179	50	10	BBGE	
N[C@H]1CC[C@H]1NC(=O)/C=C/C(=O)Cl	1883647614	OPGYVTCBZWBGLT-NBZFHMRBSA-N	202.641	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H](F)C1	1887274437	XQLSLZOIAGGLBH-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
NNC(=O)CCCS[C@H]1CC[C@H]1N	1887477677	BMYODHCXPUAHPL-RQJHMYQMSA-N	203.311	-0.021	50	10	BBGE	
C[C@@H]1C[C@@H]1OCc1nc(B(O)O)cs1	1891824102	RXONDFALLFMOSA-RITPCOANSA-N	213.067	-0.252	50	10	BBGE	
COC(=O)[C@H](CBr)N[S@@](C)=O	1892153242	XSJORSPQARWHLV-AQPAIEDISA-N	244.110	-0.194	50	10	BBGE	
N[C@H]1COC[C@H]1NC(=O)/C=C/C(=O)Cl	1893504828	NHEOKCSWJONHAU-AUGZYCGMSA-N	218.640	-0.850	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CCC(N)=O	1901764901	UKLUUCCSSQZXJF-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
O=C(NC[C@@H]1CN[C@H]2CCN1C2)[C@@H]1C[C@H]1Cl	1902634841	YUELFJZEPTZPSB-AXTSPUMRSA-N	243.738	-0.224	50	10	BBGE	
Cc1cn(Cc2nc(B(O)O)cs2)c(O)n1	1902656695	LTTCWKNDWCYHHM-UHFFFAOYSA-N	239.065	-0.918	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]1[C@@H](C)O)C(=O)NN	1902716968	YQXVOWPEEVGNBM-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)[C@@H]1C	1903263953	CGSASLDHSNTNOT-QEYWKRMJSA-N	229.324	-0.154	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@]3(C)C2)ncc1B(O)O	1907078538	AJVRAZUIAMMWLG-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250165	RKRBCVFXMIVRIL-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@@H]1CO	1909056274	NORMRRRBXNFZFI-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
NC(=S)CNC(=O)C(=O)NC1CC(Cl)C1	1909296971	UTBSZZUDGPUHJK-UHFFFAOYSA-N	249.723	-0.725	50	10	BBGE	
CC(C)(CN1CCOCC12CC2)C(=O)NN	1915588369	WNQIVAGRSOZRLG-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H](O)C1	1927913652	LLXJEQIQYGJTPC-IWSPIJDZSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1CCOC1	1927917591	LUYCQWZKUWONGA-DJLDLDEBSA-N	214.265	-0.335	50	10	BBGE	
C[C@H](CN1CC2(CC(O)C2)C1)C(=O)NN	1928569512	IWIIEJLBWZUKGQ-SSDOTTSWSA-N	213.281	-0.931	50	10	BBGE	
CN(C)C(=O)O[C@@H]1CCN(C(=O)NN)C1	1928722679	ZCGBJTOLAWGIHN-ZCFIWIBFSA-N	216.241	-0.658	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@H]2CO1	1931607691	RPKHZZFZDNACRI-CSMHCCOUSA-N	200.238	-0.976	50	10	BBGE	
NNC(=O)COCCO[C@@H]1CCCOC1	1932291632	VMVSRVNYNGJIDN-MRVPVSSYSA-N	218.253	-0.812	50	10	BBGE	
CC(C)C[C@@H]1CN(CC(=O)NN)CCO1	1932355826	YAZPGJGRIHDXLB-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
NC(=O)NC1CC(NC(=O)CCCl)C1	1932438962	ADSDYGGCWKPVRC-UHFFFAOYSA-N	219.672	-0.069	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)C[C@H]1O	1935929576	DLCYXVLEYAWUJM-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2COC[C@H]2C1	1936080641	JYXOJVCWAGULRK-ZYUZMQFOSA-N	225.292	-0.809	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936090173	GWGBKBMIKGSTLG-JGVFFNPUSA-N	226.280	-0.630	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3CC2C3)O1	1938563149	COMVLQREHDKPEZ-YDYPAMBWSA-N	225.292	-0.382	50	10	BBGE	
CN(C)[C@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1944903261	VBYYRUOUNWSSHU-HOSYDEDBSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H]2CCO)CC1	1945882645	LAWWHYUAACXSMG-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCC2)C[C@H]1CO	1946222467	LCGWQRXRGNJDFZ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CCN[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	1947505709	NGRAIZJXCFBQKO-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C	1951322086	SMDVENZXPAIMPN-IUCAKERBSA-N	229.085	-0.267	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1CCBr	1953617733	LGQVVATYIFCEEF-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
O=C(CC1(O)CNC1)N1CCSSCC1	1957705450	HXYZIMHZOABLKR-UHFFFAOYSA-N	248.373	-0.066	50	10	BBGE	
CC1(C)C[C@@H](CC(=O)NNC(N)=O)CO1	1958416671	UNPBUTJLQBHEQY-ZCFIWIBFSA-N	215.253	-0.109	50	10	BBGE	
C[C@]12CCCN(CC(=O)NN)[C@@H]1COC2	1958559958	VDSHGRAFIQOTEW-PSASIEDQSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2OCC[C@@H]2C1	1961584325	MLAQURGIZWUSNS-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H]1CC[C@H](CCn2cc(B(O)O)cn2)O1	1977042296	OXJYENPJJGXLKG-PSASIEDQSA-N	224.069	-0.480	50	10	BBGE	
CO[C@H]1CC(=O)N(CCCCC(=O)NN)C1	1980279730	LKFWVILOPFCDPQ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)CC12CC2	1980718691	MBYUXNNTIFHMDV-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)CC1(C)C	1980723625	VAOLYKVVYNKTHW-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
Cn1nccc1CN(CC(=O)NN)C1CC1	1980753647	TTXFHGDEQLDJMR-UHFFFAOYSA-N	223.280	-0.626	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)c1cnn(C)c1	1980917846	URTAHZDRWYAXMN-YUMQZZPRSA-N	225.296	-0.129	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H]1[C@H]1CCOC1	1981082482	KJBKJGJAHSJIQN-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@@](=O)[C@@H](C)C1	1981188906	SDLOMOPPRPBAJM-FRNRBWFLSA-N	247.364	-0.546	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)[C@@H]1C	1981409763	RGUOLMIVKNTSTI-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C(=O)NC(=O)[C@@H]2C1	1982341149	SCXDEVPESKJNLX-RRKCRQDMSA-N	244.678	-0.265	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNCCO)C[C@H]1OC	1982354758	BEOLEBFUFVRBQT-PSVAKVPMSA-N	232.280	-0.961	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C2CC2)C1	1990775277	UCYSPNCEMFSNOX-JTQLQIEISA-N	225.292	-0.114	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CCCO1	1991337084	LRWKUVVIXKCEBS-RKDXNWHRSA-N	225.053	-0.618	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccnc(O)c1	1991339305	VFLIRXXGMKDPNE-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(=O)N[C@@H]2CC[C@H]21	1991652610	PCWRGLJJHFUGAN-RNFRBKRXSA-N	242.662	-0.203	50	10	BBGE	
CN1C[C@H](CNC(=O)C=CC(=O)Cl)CC1=O	1991653123	VXKCETZXLGSJSS-ZETCQYMHSA-N	244.678	-0.098	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCN1CCNCC1	1991705458	FHMWBQDFFCJVRQ-OWOJBTEDSA-N	245.710	-0.671	50	10	BBGE	
COCCN(CC(=O)NN)[C@H]1CCCOC1	1991760443	CYDDFGRXKIGVMJ-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C(CC(F)F)NCc1sccc1B(O)O	1992783545	XYPWRHOBVYCRBR-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC(F)C1	1992837031	UAHNSDIEPPKZAX-UHFFFAOYSA-N	223.012	-0.840	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1c1ncon1)C(=O)NN	1997752148	JNPYWXQPHOFSRC-JGVFFNPUSA-N	239.279	-0.168	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@@H]1CCCCNC1=O	2004300150	XQVIQVKOHJPGSN-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1	2004393339	KGEVWERBFJCVAJ-VIFPVBQESA-N	241.291	-0.606	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2004916358	KTWGBUODQJKGST-OYNCUSHFSA-N	233.080	-0.609	50	10	BBGE	
C[C@@H]1OCCN(c2ccncc2B(O)O)[C@@H]1C	2004925275	OHBZXBBLUHEHCZ-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CN(C)CCCN(C)c1ncccc1B(O)O	2004936297	XQRQKHJROZPUKP-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@H]2C3)c1B(O)O	2004973523	WFMYGFZBIQTESB-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCC(O)CC2)C1	2010500522	IUZMTINJAXXYCZ-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](F)[C@@H]1CCCN1c1ncncc1B(O)O	2010591392	MJWIZWZQIFAMSV-APPZFPTMSA-N	239.059	-0.517	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC23COC3)C1	2010836085	WCDAAJGGIMZKEP-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3[C@@H]2[C@H]2CC[C@H]3O2)CC(=O)O1	2015012121	QOTQJKVASABCTP-HUMKNHRESA-N	237.255	-0.062	50	10	BBGE	
C#CCOCCOCCN1CC(=O)OC(=O)C1	2015740792	RBBPAKMKVVNVCP-UHFFFAOYSA-N	241.243	-0.962	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@]1(C)CCCO1	2017097646	JLBINFWEWXBNHJ-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCC(F)(F)C1	2021158050	WHTSJCBQJZAVGP-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
OB(O)c1cnc(OCCC2(F)CCC2)nc1	2025260709	KOYUUEYLDWSROG-UHFFFAOYSA-N	240.043	-0.183	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]2C2CCC2)nc1	2052471365	DOPSPCJSFGDTTR-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
CC(C)(C)c1ncn(-c2ncc(B(O)O)cn2)n1	2052596664	KHEQREPIXZSQJL-UHFFFAOYSA-N	247.067	-0.965	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCN(C)[C@H](C)C1	2052622084	PIDPACXJQRGMPW-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
N#Cc1cc(C=O)cc(B(O)O)c1C(F)F	2060235970	PGISKCBQYMVXKD-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
Cn1ncc(COCc2cccc(B(O)O)c2)n1	2080319252	POJYFTJZTJEPNG-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H](C)[C@H]3C2)c1B(O)O	2085518379	FBTMILSBVFBUES-FKTZTGRPSA-N	247.107	-0.443	50	10	BBGE	
CN(CCCCO)C[C@H]1CC[C@H]1C(=O)NN	2211827309	DQUMSNOPEGRUPR-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2212096642	COEAYCAFRWHFMY-ZYUZMQFOSA-N	227.308	-0.257	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCO2)c1F	2212603338	FHOUVTHKKOQODW-ZCFIWIBFSA-N	226.016	-0.899	50	10	BBGE	
Cc1cnc(O[C@@H]2CC2(F)F)cc1B(O)O	2212604350	OLMDHOAEACAMKF-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
OC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214592507	HBAAANDURZFDSW-LBPRGKRZSA-N	235.092	-0.677	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	2214991825	MUPNAUCUWKYFOV-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)c1cnn(C)c1	2215770197	ALARVHTWQGDRNR-WCBMZHEXSA-N	237.307	-0.128	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H](O)C[C@@H](F)C1	2215775500	HHRBCOZPMQIUST-SGIHWFKDSA-N	245.298	-0.593	50	10	BBGE	
CC(C)(O)C1CN(CC2(C(=O)NN)CCC2)C1	2216497968	RCJRCFKUMRSHPB-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c1	2217172247	INXQDPLLRXFUBJ-OMHSBUABSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3[C@@H](C2)C3(F)F)c1	2217174721	XUGCWNOEXJQNAL-HTQZYQBOSA-N	240.018	-0.537	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H](O)CC2)c1	2217176116	RMZCLGXSABMAPO-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
Cc1cnc(NC[C@H]2CCNC2)cc1B(O)O	2217180529	UGCNQNAFHWLUKC-VIFPVBQESA-N	235.096	-0.909	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1nccc(B(O)O)c1F	2217189847	JNFKGWFREYSNIW-XPUUQOCRSA-N	241.027	-0.686	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCC[C@@H]2N)cc1B(O)O	2223642201	ZAZINQAXTJRCAV-WDEREUQCSA-N	249.123	-0.248	50	10	BBGE	
CCN[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223669832	PBFGMWVXXBTUJL-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
CN1C[C@@H](Nc2ccc(B(O)O)cn2)C(C)(C)C1	2223675310	VDZYCIULDFMELM-SNVBAGLBSA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@H]3CC[C@H]2O3)nc1	2223677277	MAYLKHWEVMBAQL-LPEHRKFASA-N	249.079	-0.722	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1c1ccc(B(O)O)cn1	2223679011	KTPHDWZVKUVAOS-JTQLQIEISA-N	249.123	-0.533	50	10	BBGE	
C=C(CS(=O)(=O)NC1CCC1)B(O)O	2241489044	DWFBZRFXSKCISC-UHFFFAOYSA-N	219.071	-0.974	50	10	BBGE	
CCn1c(=O)cc(O)n(C[C@@H](O)CCl)c1=O	2243088193	LMZBLJPZHFTGKU-LURJTMIESA-N	248.666	-0.665	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2243350270	YHZXVZDKAACKOA-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2CN1C(=O)C1(B(O)O)CC1	2243363075	AREUHJUHKFUCNX-NKWVEPMBSA-N	223.037	-0.612	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)c(C)c1	2243367232	PPKJALKWOVZDHJ-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
O=C(NC1(CO)CCC1)[C@H]1C[C@@H](B(O)O)C1	2243381665	IEDMGCQIWVDNGQ-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)C1CC(B(O)O)C1	2243382932	SHWNRMOJDCIPPC-MSIFESELSA-N	229.085	-0.221	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2243395668	AOCBQSYOSIUTDZ-XGEHTFHBSA-N	227.069	-0.467	50	10	BBGE	
COC12CC(C1)N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2243396589	OFHRMGSAWUIWCQ-DOPNHTQNSA-N	225.053	-0.761	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1sccc1B(O)O	2243407889	BKPIGUWSAWVVNS-XPUUQOCRSA-N	239.105	-0.092	50	10	BBGE	
O=C(NC1(CCO)CC1)C1(B(O)O)CCC1	2243411722	ZBSVOJBYMSANMQ-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
O=C(NCCc1cocn1)[C@@H]1C[C@@H]1B(O)O	2243419560	BLFHLFHWBNZVRL-SFYZADRCSA-N	224.025	-0.804	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC=CCC1	2243420310	QGDKAMJFSSYQOG-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243752003	DBMDWCWVNYVPSK-VQVTYTSYSA-N	229.041	-0.829	50	10	BBGE	
CN(CC1COC1)[C@H](C(=O)NN)C(C)(C)C	2243988793	MRHGPYYYIYKKEF-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C(=O)NN)C(C)C	2245132369	QAJFFSWAQZOUMT-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@]1(C)CCNC1=O	2245142454	VROYGFOHCZDUGD-CDUCUWFYSA-N	247.682	-0.282	50	10	BBGE	
CN(CCC(F)F)C(=O)c1coc(B(O)O)c1	2247738674	UGXHOGRYQMDBII-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1ccoc1B(O)O	2247739796	BMTUYBQNHBOPSI-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H](CN1CCCC1)NC(=O)C1(B(O)O)CC1	2247756776	NUPQDXVVKZRAQG-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C=CCCNC(=O)c1ccc(C)cc1B(O)O	2247761396	UVWZQLNDIZUAHZ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CCC1(NC(=O)c2ccc(B(O)O)cn2)CC1	2247770322	OIFYMISNLQSFFK-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
CC1(C)CN(C(=O)c2ncccc2B(O)O)C1	2247771053	SNJPSYUTHLIEFP-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
O=C(Nc1nnc(C2CC2)o1)[C@@H]1C[C@H]1B(O)O	2247804803	IREXWZVOAGJZNS-PHDIDXHHSA-N	237.024	-0.252	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(OCC(F)F)C1	2247806951	PFBFBSKISGQTHQ-BQBZGAKWSA-N	249.022	-0.658	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)cn1	2247869154	MQSBHNRMIWNFDH-UHFFFAOYSA-N	232.048	-0.778	50	10	BBGE	
C[C@]12C[C@](CNC(=O)C3(B(O)O)CC3)(CO1)C2	2247872571	UXCPVDJJLBIJRZ-AOOOYVTPSA-N	239.080	-0.321	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248573519	FXABQQZTFGWYDL-RNJXMRFFSA-N	241.052	-0.828	50	10	BBGE	
CCN(CCC#N)C(=O)c1ccncc1B(O)O	2255444339	KBLFSTQKYUVNOS-UHFFFAOYSA-N	247.063	-0.863	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1cc(B(O)O)c[nH]1	2255462847	AUCRALGSHCPLRH-IUCAKERBSA-N	248.091	-0.387	50	10	BBGE	
CC(C)(CC#N)CNC(=O)c1cc(B(O)O)c[nH]1	2255466398	YEQGZYGBTRKPBF-UHFFFAOYSA-N	249.079	-0.636	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2ccnc2)C1)C1(B(O)O)CC1	2255489382	SKJASFWULZGUFW-DTORHVGOSA-N	249.079	-0.290	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1ncc[nH]1	2255513019	JPTGFFAAXAGDFO-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC#CCCNC(=O)c1ccc(F)c(B(O)O)c1	2255513921	AIHFSFXTFWDXAD-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(N[C@@H]1CCCC12CC2)c1n[nH]cc1B(O)O	2255551501	YKLGZGXCORHROV-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@H]1CC1CC1	2255551672	ARGKUMMDNLTTAZ-QMMMGPOBSA-N	249.079	-0.896	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255559326	VHSYAJPYVMOALW-DTORHVGOSA-N	249.079	-0.312	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1nccc(C)c1B(O)O	2255574391	ADVQVWQPJZGKSQ-QMMMGPOBSA-N	246.075	-0.931	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2255716654	FEZITVAVRBCITF-XLDPMVHQSA-N	248.091	-0.464	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2255723823	JMKYLIDCFUWRTB-BRPSZJMVSA-N	249.075	-0.170	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCc1ccco1	2255727163	LKBJQSUWGSALTC-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
Cc1ccncc1NC(=O)c1cc(B(O)O)n[nH]1	2255764125	WXDNGSOTZFEPGT-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2298377121	FQZFMUQQSJHSQF-JRKXVGBNSA-N	235.092	-0.038	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298463640	PTPGDCOOGPEVCC-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300201048	KHZPYIYFBILIHD-GEVSDDDWSA-N	241.335	-0.154	50	10	BBGE	
CCNC(=O)Nc1cc(F)c(B(O)O)c(F)c1	2302409132	UDMSXKWVWMFQTN-UHFFFAOYSA-N	244.006	-0.214	50	10	BBGE	
C=C1COC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303847106	CRGJPKQCSQCXFU-VIFPVBQESA-N	238.027	-0.733	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1cocc1B(O)O	2313081847	SAZQUZDZUJGXLW-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1CNCCN1c1ccc(B(O)O)cc1C#N	2317155979	SYNYEPNLNRZFPG-SECBINFHSA-N	245.091	-0.964	50	10	BBGE	
NC1CC(COc2ccc(C=O)c(B(O)O)c2)C1	2317350957	AJMWIKWDWWZBPA-UHFFFAOYSA-N	249.075	-0.705	50	10	BBGE	
Cc1cnn(C[C@H]2CC[C@@H](C(=O)NN)O2)c1	82471452	OOIKDSBOYJGRGM-BDAKNGLRSA-N	224.264	-0.271	50	10	BBGE	
C[C@H](C#N)CN(C)Cc1cc(C(=O)NN)no1	110586975	MYBLPCXEOJILOA-SSDOTTSWSA-N	237.263	-0.130	50	10	BBGE	
COCCN(CCC(=O)NN)C(C)C	125396604	OYQAACVEKLJCGU-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
O=CNNC(=O)COCc1ccccc1	142226985	CFPPFXWWTYYZNE-UHFFFAOYSA-N	208.217	-0.020	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@H](N)C1	203226848	YMLKEURYHZFGFY-VIFPVBQESA-N	238.291	-0.275	50	10	BBGE	
COC(=O)/C(=C\NC(=O)CCl)C(C)=O	211610088	NGQUMNBSBFLIMD-XQRVVYSFSA-N	219.624	-0.013	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)C1	212113270	IZOCKYFTVZEWPW-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CCN)SC[C@@H]1CC[C@@H](C(=O)NN)O1	228693435	RFMIQRFGKDDBLJ-VGMNWLOBSA-N	247.364	-0.006	50	10	BBGE	
COC[C@@H](OC1CCOCC1)C(=O)NN	232418318	GDGFQMBCIYXANZ-MRVPVSSYSA-N	218.253	-0.813	50	10	BBGE	
COC(=O)[C@@H](O)[C@@H](Br)CO	238322393	REJWWCGHPGKPCK-IMJSIDKUSA-N	213.027	-0.724	50	10	BBGE	
O=C(O)CCc1ccc2c(c1B(O)O)OCO2	258274711	OYIWDLZLTVBUIL-UHFFFAOYSA-N	238.004	-0.888	50	10	BBGE	
C[C@H]1CS(=O)(=O)CCN1C[C@H](O)CCl	299894873	BLXJUEBRCPGZRP-JGVFFNPUSA-N	241.740	-0.295	50	10	BBGE	
C#CCONS(=O)(=O)CBr	306365986	JRVNJFAPWDAPQX-UHFFFAOYSA-N	228.067	-0.177	50	10	BBGE	
COCCO[C@@H]1CNNC(=O)[C@@H]1Cl	308130594	ILNFADJRVJRCNY-PHDIDXHHSA-N	208.645	-0.740	50	10	BBGE	
COC(OC)[C@@H](O)/C(C)=N/NC(N)=O	308337780	GJZSWTLFJXOFEU-TZLATDIOSA-N	205.214	-0.990	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@@H]1O	388617715	NDYHCZFFJBVAKM-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@](C)(NS(=O)(=O)CCCl)C(N)=O	388662858	ANLQMUFJXBJKNJ-SSDOTTSWSA-N	242.728	-0.201	50	10	BBGE	
OB(O)c1cncc(OC/C=C\Cl)c1	389159421	OPDGJHVNJXAMDB-UPHRSURJSA-N	213.429	-0.107	50	10	BBGE	
Cc1occc1C(=O)NN[C@@H]1CNC[C@H]1O	393149691	KQPPRPOGKATDMC-RKDXNWHRSA-N	225.248	-0.845	50	10	BBGE	
O=C(CCCCl)N[C@H]1CONC1=O	393774750	ZTCJITCQBXHQMP-YFKPBYRVSA-N	206.629	-0.448	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C(=O)NN)C(C)(C)C	395618063	SEUKNXUGGVUMFE-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
OCc1cccc2sc(B(O)O)c(O)c12	396335914	DZBICUNXYTYPCK-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=Cc1csc2c(B(O)O)c(CO)ccc12	396344364	WXCMKERHWWROSI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1c(B(O)O)ccc2cc(O)sc12	396376173	DXTJDOCPBBDTIE-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCO[C@@H]1COCCC1=NNC(N)=O	686592190	DTPYCJFLGUAMCF-SSDOTTSWSA-N	201.226	-0.164	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1CCCC(=O)NN	688636834	BXVDGILKMJHJIV-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
Cn1cnnc1CN[C@H]1COC[C@H]1Cl	689532570	IJSMDGKFCIUMQE-RQJHMYQMSA-N	216.672	-0.089	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690215254	YAHCKACBDJLJGP-BDAKNGLRSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1cnccn1	693560727	ZIVARNVAYIPQII-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(C#N)C1	693992986	UXTIXUIUHOAKBS-SCZZXKLOSA-N	210.281	-0.010	50	10	BBGE	
CCn1nnnc1CNC[C@H](Cl)C(=O)OC	697837010	HBTOMMXDFWLVSY-LURJTMIESA-N	247.686	-0.437	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2COC[C@@H]2C1	700655497	XOLMTRFVMYFRJZ-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)[C@@](C)(C(=O)O)C1	702723013	IRIZOGHGCNCEAT-GMSGAONNSA-N	245.279	-0.263	50	10	BBGE	
CCOC(=O)Nc1ccc(B(O)O)cc1OC	712332228	FCTRWXDEAHPYTI-UHFFFAOYSA-N	239.036	-0.057	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)CBr	717358283	YNIDBHJVUIZQHX-UHNVWZDZSA-N	226.070	-0.761	50	10	BBGE	
NNC(=O)CN(CC(F)F)CC(F)F	719387493	YUEWAHQCVFXOKM-UHFFFAOYSA-N	217.166	-0.192	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723023891	RMBYEBXHMKXBQE-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C=CS[C]1C(=O)NCB(O)O	725598467	GTWVSDYKBHZOEH-RXMQYKEDSA-N	200.048	-0.457	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C(=O)NN)CCS1	725667332	MBMZGPWJQWBLCC-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
C[C@H](N)[C@H](C)NS(=O)(=O)CBr	850587995	QRAFMAWHGGYFBV-WHFBIAKZSA-N	245.142	-0.006	50	10	BBGE	
C#C[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	854777562	GFMUAGDYVIAIIN-NEOSZVFXSA-N	244.254	-0.563	50	10	BBGE	
O=C(NNc1ncccn1)c1nc[nH]n1	1116325350	CAYDLRMWQAQKIQ-UHFFFAOYSA-N	205.181	-0.648	50	10	BBGE	
COCc1nocc1C(=O)NNC(=O)N(C)C	1136448379	CRRMUGAHNRHALV-UHFFFAOYSA-N	242.235	-0.263	50	10	BBGE	
N#CC1=CCN(C(=O)CCNC(=O)CO)CC1	1332070404	WATIPIMNEZGBEN-UHFFFAOYSA-N	237.259	-0.833	50	10	BBGE	
O=C(CC1(O)CCC1)NNC(=O)NC1CC1	1442298500	ZRGJDDQBFNINDA-UHFFFAOYSA-N	227.264	-0.216	50	10	BBGE	
CNC(=O)NNC(=O)Cc1nc(C2CC2)n[nH]1	1583197197	AESVTVZLRJCMOT-UHFFFAOYSA-N	238.251	-0.815	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnnc(O)c1	1625729069	KUBKPSJDAPWVOC-UHFFFAOYSA-N	225.208	-0.854	50	10	BBGE	
O=C(NCC(F)F)c1cc(B(O)O)ccc1F	1630015379	WOBFFHSCIPSKMA-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
COc1cccc(CC(=O)NN(C)C(N)=O)n1	1632039983	ZLVWAZMPNQCLBM-UHFFFAOYSA-N	238.247	-0.326	50	10	BBGE	
Cc1cc(=O)c(C(=O)NNc2nc[nH]n2)c[nH]1	1654621821	LZUMEQACHSIOTA-UHFFFAOYSA-N	234.219	-0.442	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@H]1Cl)C1CNC1	1883568048	TUAKYYCGQVJDGN-IYSWYEEDSA-N	224.713	-0.495	50	10	BBGE	
O=S(=O)(NC1(CCl)CC1)c1nc[nH]n1	1885225042	AXFTZYCDVFLTFI-UHFFFAOYSA-N	236.684	-0.146	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(N)=S)CCO1	1886029607	MHJFKTQUJFWJJV-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](F)C1=O	1889042922	QFLURIZBAHCFDB-NTSWFWBYSA-N	203.217	-0.675	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1893108812	VIRDBVSQBRSGRW-DSYKOEDSSA-N	220.700	-0.172	50	10	BBGE	
N[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1893454716	ZKWYVLJTYCWTAT-ULAWRXDQSA-N	218.684	-0.466	50	10	BBGE	
COC1(CO)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1893475276	RMFYUQNSXQOFSK-NKWVEPMBSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)[C@@H](C(=O)O)CO1	1894721089	BWXVLHHIGQFRCN-RNFRBKRXSA-N	231.252	-0.654	50	10	BBGE	
C=C(CN(CCF)CCOC)B(O)O	1895097994	XEDIZFSPKNHDIT-UHFFFAOYSA-N	205.038	-0.528	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@@H]2[C@H]1CO	1897344145	VWHLFMFAMXENLE-BQHMLIOBSA-N	227.308	-0.687	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2C[C@@H]21	1899253301	LAJUEFLODNDVQD-SCZZXKLOSA-N	218.065	-0.332	50	10	BBGE	
CNC(=O)CSCCC[C@H]1C[C@@H]1C(=O)NN	1900532756	CBYLKYHUDZXBKX-YUMQZZPRSA-N	245.348	-0.128	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC(F)F	1901203327	NEJXFWXYCWLVBV-UHFFFAOYSA-N	225.991	-0.085	50	10	BBGE	
CC(C)[C@H](CO)N(C)CC(C)(C)C(=O)NN	1902086994	ITFXMNPJEKTTRE-VIFPVBQESA-N	231.340	-0.049	50	10	BBGE	
Cn1cc(CN2CC[C@](C)(B(O)O)C2)nn1	1902540592	HIDMTNRLADGREB-VIFPVBQESA-N	224.073	-0.746	50	10	BBGE	
OB(O)c1cc(N2CC=C(F)C2)ncc1F	1903010683	SEGYABYEFAWNKE-UHFFFAOYSA-N	225.991	-0.426	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@@H]2C[C@@H]2F)n1	1908966687	YFDBDZCOYZCGKA-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CSC2	1914569487	CIENZJREYZIOFR-XHNCKOQMSA-N	245.348	-0.429	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923417199	NPVSGOTVRUGTPL-BYPYZUCNSA-N	228.170	-0.287	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ccccc1B(O)O	1924099260	QRLOAOQSDNWRDS-JTQLQIEISA-N	237.064	-0.270	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC(=O)N1C	1926006985	URKXGKAMMGXADG-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
COC1(C)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1927916477	DXSOFHGMQXAYND-HTQZYQBOSA-N	213.281	-0.667	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)[C@H](F)C1	1929910194	LFWYTOHBYJNQBY-GJMOJQLCSA-N	219.260	-0.985	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CC1(C(=O)NN)CC1	1931259604	VMKYPUWNIKPOIH-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
C[C@H](Cl)CNC(=O)C1CS(=O)(=O)C1	1933141897	XALDIDKRKNFZKQ-YFKPBYRVSA-N	225.697	-0.226	50	10	BBGE	
COc1ncccc1NC(=O)C(=O)NN	1933526466	QGGJPRFASYUURK-UHFFFAOYSA-N	210.193	-0.981	50	10	BBGE	
NNC(=O)NC1(C(N)=O)CCCCC1	1933619082	RSBONCOJZFOIOO-UHFFFAOYSA-N	200.242	-0.653	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1CSC1	1936309116	VQKPPSKRZZGAEP-UHFFFAOYSA-N	242.304	-0.175	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)[C@@H](C)C(=O)NN)C[C@H]1F	1937151807	CBDFMPBRHOXACR-BZNPZCIMSA-N	233.287	-0.330	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](CO)C2)CC1	1938246859	MOKVONCWUSZVOL-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H](F)C1	1941011825	LLDXYEGNCSNAKI-VGMNWLOBSA-N	247.314	-0.204	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081888	DIUMWNCGJVTORR-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
N#Cc1ccccc1OCCOCC(=O)NN	1941772812	NYNJFLQTROEISD-UHFFFAOYSA-N	235.243	-0.056	50	10	BBGE	
CO[C@@H]1COC[C@@H]1Oc1cccc(B(O)O)c1	1942933766	GZILXDXHSGXHKT-MNOVXSKESA-N	238.048	-0.841	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CCCO)CC1	1945888676	FRMIXZQTMMYJSE-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CC[C@@]1(C)CN([C@H](COC)C(=O)NN)CCO1	1947269415	YYBAQFMCSYLQCV-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
COc1ccnc(OC)c1[C@H](N)[C@H](O)C#N	1953056897	GNWSYEKBRYKHMO-HZGVNTEJSA-N	223.232	-0.017	50	10	BBGE	
ClC[C@@H]1C[C@H]1NCCn1cnnn1	1954307348	BTRXKOVOTPBNGZ-NKWVEPMBSA-N	201.661	-0.110	50	10	BBGE	
NC(=O)C1(NC(=O)NC(=O)CCl)CC1	1955422817	YTOUNNJPFADMJY-UHFFFAOYSA-N	219.628	-0.931	50	10	BBGE	
OB(O)c1csc(S[C@@H]2CCOC2)n1	1956954672	CNHFJUVUTKGTCT-RXMQYKEDSA-N	231.107	-0.296	50	10	BBGE	
COCCSc1ccc(B(O)O)cn1	1956966123	PURLSTWPHAODOH-UHFFFAOYSA-N	213.067	-0.500	50	10	BBGE	
CC12CC(C(=O)NNCCO)(CCO1)C2	1960150880	GNIGERWOAURVKZ-UHFFFAOYSA-N	214.265	-0.441	50	10	BBGE	
C[C@@H](Cl)CC(=O)N(C)[C@H]1CC(=O)NC1=O	1962374172	UDKOAESKTKTAGV-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1C	1964511151	WJZFDMSXPRJHJW-QMMMGPOBSA-N	237.068	-0.583	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CC(C)(C)C1	1978671902	ULJRZKGNJRUCKA-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC=C[C@H](O)C1	1978920143	QLNKMFBRWUGTBS-VHSXEESVSA-N	227.308	-0.376	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CF)(OC)C1	1980378473	VGJCQVAIJXDLMP-MRVPVSSYSA-N	233.287	-0.185	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C)(F)C2)n1	1981445583	LFLBVNDSIVGUCQ-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@@H]1C(F)F	1982684967	LKZVEEQQPBQZTD-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)ccc1=O)C1CC1	1984101216	JKNJMAQPXRNXRP-MRVPVSSYSA-N	221.065	-0.426	50	10	BBGE	
CO[C@@H](C)COc1ncc(B(O)O)cc1F	1986049853	WVXUQXNGQBCXLU-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCNC[C@@H]1CO	1991717100	SJNOBFUDTUZOGT-XLNBVVSQSA-N	246.694	-0.605	50	10	BBGE	
C=C(CN1CC[C@H]2[C@H](C1)[C@@H]2COC)B(O)O	1992167639	NUTDDKILLCUSNK-GARJFASQSA-N	225.097	-0.231	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccccc1B(O)O	1992836793	PZWCFVKGAAPKFT-QMMMGPOBSA-N	219.049	-0.329	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	1995621238	RIXIHRAGQLSAOI-BVUFCRBRSA-N	221.304	-0.193	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1c1ncon1)C(=O)NN	1997752150	JNPYWXQPHOFSRC-YUMQZZPRSA-N	239.279	-0.168	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(COC(C)C)C1	2001338907	YGAZMYNNXCBPTR-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
CCCOCC1CN([C@@H](COC)C(=O)NN)C1	2001339993	OTOIRJCQPBFHFI-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
C#CCN1CCN(CC2(C(=O)NN)CC2)C1=O	2003936268	QXIPQZWVIZMCDO-UHFFFAOYSA-N	236.275	-0.873	50	10	BBGE	
OB(O)c1cccnc1N1CC2CC(F)(C2)C1	2004934300	DKOCKMQJCZFVHF-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
Cc1ncnc(N2CC[C@](C)(F)C2)c1B(O)O	2004977315	ZBENTEPSWJFTJP-JTQLQIEISA-N	239.059	-0.597	50	10	BBGE	
COC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1C	2006564184	VKJWVRLJUXPZKN-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	2008728009	PJYPDJZEYLMQAC-JXUBOQSCSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Cn1cc(B(O)O)ccc1=O	2008840254	JSJLYGDFYBKRHL-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cccc(B(O)O)c2=O)C1	2008844503	OJUHVIQYCSIRCY-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2C[C@H]2F)c1B(O)O	2014736590	YGRKLAGDGFILHW-HTQZYQBOSA-N	239.059	-0.741	50	10	BBGE	
C[C@@H](COc1ncc(F)cc1B(O)O)N(C)C	2014928074	CVBIMNLOAHMARC-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016372058	XCIBVNIEFRBJMS-QKAQJGQXSA-N	239.319	-0.423	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](N(C)C)C1	2019208641	IXXDXPGDAOLOJU-WPRPVWTQSA-N	242.323	-0.964	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020055468	BDZFRPVOVWNUAD-OYNCUSHFSA-N	239.080	-0.514	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccccc1B(O)O	2022196068	GHHFYXDTNRVMAL-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccccc1B(O)O	2022196566	OHPGLVGWJNSLKY-DTWKUNHWSA-N	233.076	-0.248	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc(C2CC2)cc1=O	2028052293	PIBDQCBPRJVECH-DTWKUNHWSA-N	248.286	-0.253	50	10	BBGE	
CN1CCCN(c2ccc(B(O)O)cn2)CCC1	2052469693	UHPFZARHPOQUQD-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C1CC1)C1COC1	2052621959	NTMYTCDMXRCENJ-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CCc1c(C#N)ccc([N+](=O)[O-])c1B(O)O	2060278776	LCVNFCCKVGZJQP-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)C1)c1ccc(B(O)O)cc1	2079008296	HOVZLDDTRKWAOL-WDEREUQCSA-N	249.075	-0.990	50	10	BBGE	
Cn1cnc(NC(=O)c2ccccc2B(O)O)c1	2079010823	UQDSOFPVKVEPCC-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
OB(O)c1csc(CN2CCO[C@H]3C[C@H]32)c1	2211082119	ZULNSGHNHHSMDZ-ZJUUUORDSA-N	239.105	-0.599	50	10	BBGE	
CN1CC[C@@H](COCC(C)(C)C(=O)NN)C1	2211768339	VIYZSZDRTKUZCN-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)CN1C[C@H]2COC[C@@H](C1)C2(F)F	2212531468	IMUGWOLOROSOGS-KNVOCYPGSA-N	235.234	-0.810	50	10	BBGE	
CC[C@@H](CCO)Nc1ncccc1B(O)O	2212601493	OSALMSYNGKNJEF-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
Cc1cnc(N2CC=CCC2)cc1B(O)O	2212603423	FYLYYBAAWCQZPK-UHFFFAOYSA-N	218.065	-0.164	50	10	BBGE	
CC[C@@H](COc1ncccc1B(O)O)NC	2212605341	CEZDNXSAEWJASY-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
CC=C=CCCN=c1ncc(B(O)O)c[nH]1	2212606482	UWKWFNCOHOURIL-UHFFFAOYSA-N	219.053	-0.889	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2OCC[C@@H]2C1	2215778065	XCHNNCUMROOGQN-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
C#CC1(F)CN(c2nccc(B(O)O)c2F)C1	2217179385	JYBUCFSBXBOMEG-UHFFFAOYSA-N	238.002	-0.938	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H](CO)C2)cc1B(O)O	2217181301	ZWPYSAWJNCHHKI-DTORHVGOSA-N	236.080	-0.747	50	10	BBGE	
C[C@@]1(F)CCN(c2nccc(B(O)O)c2F)C1	2217181797	VFBMDTZNVFSWNQ-SNVBAGLBSA-N	242.034	-0.161	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCOC[C@@H]1C2	2217182604	BOCLVTCVGVKVLR-KWQFWETISA-N	234.064	-0.648	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)CCN)cc1B(O)O	2217184441	TUVYOUWFILJJJM-VIFPVBQESA-N	237.112	-0.757	50	10	BBGE	
N[C@H]1C[C@@H](CCOc2cc(B(O)O)ccn2)C1	2217189542	FRJQOKYHQFYAIW-WAAGHKOSSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1Nc1ncccc1B(O)O	2217200868	VQQLXHKZCOXJRD-SCZZXKLOSA-N	235.096	-0.877	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCNC1	2217203483	VRXGUKWJMKOKPV-VIFPVBQESA-N	235.096	-0.827	50	10	BBGE	
NCC12CC(CN1Cc1cccc(B(O)O)c1)C2	2220072761	PYNPJKAASIWWCI-UHFFFAOYSA-N	246.119	-0.711	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O	2223637816	HIXBVLMBSVZZGG-URPMGSGRSA-N	248.091	-0.667	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3NCC[C@@H]32)cc1B(O)O	2223643729	ZOSIQRIRICSMPH-INTQDDNPSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1cnc(OCCc2ccccn2)nc1	2223660447	FYISEUWGFWOCAS-UHFFFAOYSA-N	245.047	-0.827	50	10	BBGE	
N[C@H]1C[C@H](Nc2ncccc2B(O)O)C12CCC2	2223671857	QPXJAWNFFLMFDH-UWVGGRQHSA-N	247.107	-0.557	50	10	BBGE	
CCc1nc(CNc2ccc(B(O)O)cn2)co1	2223675850	ZLZMEFHIKBCKGO-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
COCCCNC(=O)C1(B(O)O)CC1	2241473572	MNJAFPXVILVOKF-UHFFFAOYSA-N	201.031	-0.854	50	10	BBGE	
O=C(N1CC[C@H](F)C1)C1(B(O)O)CC1	2241473610	MYUNBUKEQJNKFA-LURJTMIESA-N	201.006	-0.436	50	10	BBGE	
CCS(=O)(CC)=NC(=O)C#CB(O)O	2241476497	UELZMJYVBMQRHN-UHFFFAOYSA-N	217.055	-0.964	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@H](F)C1	2243350034	UOHPSDXHGXAMND-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
CC(C)C[C@H](NC(=O)C#CB(O)O)C(F)F	2243356548	JHPCQQIPDCZDFG-ZETCQYMHSA-N	233.023	-0.202	50	10	BBGE	
CON(C)C(=O)c1cc(Cl)cc(B(O)O)c1	2243367296	QNGQUIYMWXNDQL-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1csnc1B(O)O	2243378633	WWAFUXQUNHURQQ-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)[C@H]1C[C@@H]1B(O)O	2243390737	ALRHZCMXVKYHIQ-KZVJFYERSA-N	227.069	-0.874	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2243395664	ANLFNNHOMFELOO-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
Cc1cc(CNC(=O)C#CB(O)O)ccn1	2243398879	ILSWZNCITMQLBW-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccsc2B(O)O)[C@@H]1C	2243408038	FVJWNMONCFBEHU-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
CN(C)C[C@H]1CCN1C(=O)C1(B(O)O)CC1	2243409414	HMCPILREMVNSBO-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
C=COCCCNS(=O)(=O)CC(=C)B(O)O	2243412247	JBMTWIJPPWEYFX-UHFFFAOYSA-N	249.097	-0.976	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CCCC1	2243413319	DMBGTKOELNRUQO-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)n(C)n1	2243414603	DUEMTNLVYUVYNB-NKWVEPMBSA-N	223.041	-0.470	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=CCC1	2244205464	JRRZUMLKHVQJTI-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
CSCCCNC(=O)c1cc(B(O)O)co1	2244219466	LXJBBJKBHVFARM-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C[C@]1(CO)C=CCCN1C[C@H]1C[C@H]1C(=O)NN	2246358797	IJJGIXPXMYAHLO-CKYFFXLPSA-N	239.319	-0.375	50	10	BBGE	
COCC(CNC(=O)C1(B(O)O)CC1)COC	2247751436	XULDAYMVEBRQHM-UHFFFAOYSA-N	245.084	-0.981	50	10	BBGE	
CN1CCCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247757701	SAKWJTFDJUZCRG-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787880	VZSKEEAJTWTHEW-KXUCPTDWSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247803645	CCDDGWJVWDDZER-JDDHQFAOSA-N	241.096	-0.079	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1CO	2247804361	GQYROEDDTIZUGC-ZYUZMQFOSA-N	241.096	-0.674	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N1CCCC1	2247807906	SCEJJHDEHMDOGB-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CC(C)(F)CNC(=O)c1ncccc1B(O)O	2247869493	SOJQKCDBAMKFSG-UHFFFAOYSA-N	240.043	-0.761	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1occc1B(O)O	2247873714	FOTRDQPWUSXENB-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@H](C)F)c1	2247874642	NZOYHUFKJPWBID-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
O=C(NOC1CCOCC1)C1(B(O)O)CCC1	2247877206	DEJPWCNHPPAPHS-UHFFFAOYSA-N	243.068	-0.390	50	10	BBGE	
CC(C)(C)C[C@@H](CO)NC(=O)C1(B(O)O)CC1	2247879863	YLFTXLQGEROTON-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CC(F)F)C1COC1	2247887468	OMPLJNANUVBNCG-BQBZGAKWSA-N	249.022	-0.658	50	10	BBGE	
Cn1cccc1CNC(=O)C1CC(B(O)O)C1	2247890911	DMOUMTRGPHKDEE-UHFFFAOYSA-N	236.080	-0.106	50	10	BBGE	
NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905389	USYKEVMFDBMHMX-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2248576102	JKDSXJSUDDHAJL-JECWYVHBSA-N	241.052	-0.828	50	10	BBGE	
OB(O)C1CCN(C[C@@H]2COCCCO2)CC1	2249346528	OMGIGMVXWHNIIA-LLVKDONJSA-N	243.112	-0.269	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1ccc(B(O)O)o1	2255463525	KCHQNPZLUIMTFD-BDAKNGLRSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CCC=C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255472925	IKFNQXPMNYRKJI-WCBMZHEXSA-N	248.091	-0.221	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255789385	GIKVPRSZESHZGB-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(C)cc(B(O)O)c1	2258280241	OOGOPHCKCMPSBF-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300370509	KULIRFNHGRBCCP-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2302191533	WCSWLLUKKJUBQQ-DJLDLDEBSA-N	239.080	-0.371	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	2302212399	ZFVXAFAYOSJTEK-GUBZILKMSA-N	239.319	-0.134	50	10	BBGE	
CN[C@H](COc1ncccc1B(O)O)C(C)C	2302495137	PRBTYCBPFWXYJB-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
COCc1noc(CN2CC[C@H](B(O)O)C2)n1	2303158767	NRDYSMCHSGZHQH-ZETCQYMHSA-N	241.056	-0.735	50	10	BBGE	
CC[C@@](C)(Cn1ccc(O)cc1=O)C(=O)NN	2303436578	DEJXNKMQCWLTHN-NSHDSACASA-N	239.275	-0.040	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](C1)NC2)[C@H]1C[C@H](B(O)O)C1	2303701234	XJOYNGKAUVQBQW-KBIXCLLPSA-N	238.096	-0.750	50	10	BBGE	
CCN(CCOC)c1cc(B(O)O)c(F)cn1	2303834866	MZPVKISUAMWRAJ-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	2312858677	SSKSOOPBRMNEAJ-JGYDKCEJSA-N	247.103	-0.182	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317165254	IVGXDSKRXSQMLC-KWQFWETISA-N	246.075	-0.173	50	10	BBGE	
NNC(=O)C1CCN(C(=O)C2CC2)CC1	37388032	QVRZHFBMHHJTDG-UHFFFAOYSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1ccccn1	49814175	LQDULWCDPPSYAY-ZCFIWIBFSA-N	208.221	-0.810	50	10	BBGE	
C[C@H](CN(C)C1CCNCC1)C(=O)NN	82471257	OQARVIOEUQWZMB-MRVPVSSYSA-N	214.313	-0.704	50	10	BBGE	
COCCN([C@@H](C)COC)[C@H](C)CC(=O)NN	104112008	XNDSXSDNXQABER-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1c[nH]nn1	104644765	PMFCRGCJOXRJRU-SSDOTTSWSA-N	235.247	-0.078	50	10	BBGE	
CN(C)NC(=O)NC(=O)CCC(=O)O	148149685	MTHOSMXUWFEXLK-UHFFFAOYSA-N	203.198	-0.846	50	10	BBGE	
COC(=O)NNC(=O)Cn1cc(C2CC2)nn1	158676477	YKAVQHKXJJOUQC-UHFFFAOYSA-N	239.235	-0.457	50	10	BBGE	
COc1ccc(Cn2ccc(C)n2)cc1B(O)O	203618440	UCBOGIPZTQFXMX-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)Cc1cccc(B(O)O)c1	211162373	IVQPTXHCKMVVGK-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](CC(=O)NN)CC1	217987959	COWMVXUZQXBGNQ-QMMMGPOBSA-N	249.336	-0.572	50	10	BBGE	
C[C@H](CO)N(C)S(=O)(=O)CCCl	232301236	CJGZSUCTVHXUBP-ZCFIWIBFSA-N	215.702	-0.132	50	10	BBGE	
CC[C@H](N)CS[C@@H](COC)C(=O)NN	232421717	RLJRUEYXXCXDEH-BQBZGAKWSA-N	221.326	-0.538	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nnn(C)n1	234577899	GRDFLYUPUHDMFG-RXMQYKEDSA-N	233.659	-0.920	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@H](C)[C@H](C)C(=O)NN	252614067	XTHMXZLWDHNZAR-YIZRAAEISA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1c(O)sc2ccc(O)cc12	307404849	CKDFUEZMFSEIBR-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O=C[C@H](O)[C@H](Cl)[C@H](O)[C@@H](O)CCl	307911642	GNXNPUPKMQGBAM-OMMKOOBNSA-N	217.048	-0.886	50	10	BBGE	
CC1(C)O[C@@H]2/C(=C/C#N)NC[C@H](O)[C@H]2O1	308759852	WIMLSGGTZJODEX-UZYHXSNQSA-N	210.233	-0.122	50	10	BBGE	
O=C(O)c1cc(C(F)(F)F)c(B(O)O)cn1	309394158	PMIYYLYPAIJJSU-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@@H]2CCOC2)[nH]1	380980263	IKFKAKNQWCDCEY-ZCFIWIBFSA-N	243.698	-0.312	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](O)CC1	382013646	NKYWXBRPWCRQDX-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCCCC(=O)NN	385000676	JLGIOPCCVKUESL-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN([C@H](C)C(=O)NN)[C@H]1[C@H]3C2	394359382	ALCPISYDTNFLJQ-QFLRJNDWSA-N	239.319	-0.280	50	10	BBGE	
CCOCCCN(C)[C@@H](C)C(=O)NN	394961971	SZOGRNDHWUWZCO-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(O)CO	491081365	FZKVUMZEVBJXBB-DAGBOUIGSA-N	228.248	-0.710	50	10	BBGE	
Cn1nnc(CC2=C[C@@H](Cl)CNC2)n1	675077713	QVAVULALGUMTOT-SSDOTTSWSA-N	213.672	-0.110	50	10	BBGE	
CC(C)(CN1CC[C@@H](C#N)C1)C(=O)NN	693988182	WCPJQQINZOXEHE-QMMMGPOBSA-N	210.281	-0.152	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2CC2(F)F)c1	694535659	NJXJIXGRCIWKMQ-ZCFIWIBFSA-N	215.996	-0.392	50	10	BBGE	
Cc1nnc(CN(C)C[C@H](C)C(=O)NN)s1	697799577	PFWMPXNIRJTXHB-LURJTMIESA-N	243.336	-0.096	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cscn1	697821959	PVUPAMPTNAQVNK-SCSAIBSYSA-N	214.250	-0.690	50	10	BBGE	
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC	704666957	DSHOULATAOOLGZ-NTSWFWBYSA-N	202.258	-0.680	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H]3C[C@@H]32)n1	706984537	PIAMRHKLRJIPRU-XPUUQOCRSA-N	222.248	-0.128	50	10	BBGE	
OB(O)c1ccnn1CCc1ccccc1	707205688	JTNCTGYINGPIRQ-UHFFFAOYSA-N	216.049	-0.194	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H]1[C@@H](C)O	708480644	BAAGRJVJVNKMAZ-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccc(C)cc1B(O)O	709680537	WRLFKOGHEZGROD-KCJUWKMLSA-N	249.075	-0.352	50	10	BBGE	
CN(C)C[C@]1(O)CCN(C[C@@H](O)CCl)C1	713624654	RYIJXQMECOPLIW-VHSXEESVSA-N	236.743	-0.416	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ncccn1	718910872	RTGUQTFRBXMELA-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccnc(N)n2)CC1	723332367	GSRODFVGJRAWRZ-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
COC(C)(C)CC(=O)NNC(=O)c1cnn[nH]1	787328767	BGOLTRXJONRNFP-UHFFFAOYSA-N	241.251	-0.619	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H](O)C1CCC1	825481633	PSSIJWCWKAROOU-QMMMGPOBSA-N	229.280	-0.114	50	10	BBGE	
Cc1cnc(C(=O)NNC(=O)c2cc[nH]n2)cn1	1147064723	JDXOXDCULVKVIP-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1ccnn1C	1320500982	UNSBFPDAUQGAKH-UHFFFAOYSA-N	239.279	-0.345	50	10	BBGE	
CC(=NNC(=O)c1cc[nH]n1)[C@H]1COCCO1	1333707891	MZRSKDCMTYYFHX-SECBINFHSA-N	238.247	-0.069	50	10	BBGE	
Cn1ncc(CCC(=O)NNc2ccncn2)n1	1334804077	WBNICMIOTCNBQQ-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@H]1COC(=O)C1	1467909219	RUAYRHSGHKOFAW-ZCFIWIBFSA-N	230.220	-0.331	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNc2nc[nH]n2)CO1	1472574437	VOYVWLZNBSMEAH-NTSWFWBYSA-N	211.225	-0.327	50	10	BBGE	
O=C(CCc1nc[nH]n1)NNc1cccnn1	1631347424	VAGDCXVRTFDQBV-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1ccncc1	1638071827	BLUNAGZJCNTIEJ-UHFFFAOYSA-N	233.227	-0.508	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H](O)C(C)(C)C	1638762568	YYKOATCNMILKEG-ZCFIWIBFSA-N	232.280	-0.688	50	10	BBGE	
NOCCNC(=O)[C@@H]1C[C@H]1Br	1877396294	FIIYOQDIZJZFNS-RFZPGFLSSA-N	223.070	-0.224	50	10	BBGE	
N[C@H]1CC[C@H]1NC(=O)C=CC(=O)Cl	1883624202	OPGYVTCBZWBGLT-NTSWFWBYSA-N	202.641	-0.086	50	10	BBGE	
C[C@H]1COC[C@@H]1OC[C@@H](C)C(=O)NN	1888708505	UDITXRGSIYQAMC-RNJXMRFFSA-N	202.254	-0.336	50	10	BBGE	
O=C(O)CONC(=O)NC[C@H]1C[C@H]1Cl	1893119929	RPWFIIUXZCBZJU-RFZPGFLSSA-N	222.628	-0.071	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1Cl)S(N)(=O)=O	1893470763	WKMOYRPJNOADKX-NGJCXOISSA-N	240.712	-0.593	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@@H]2C[C@@H]21	1895003461	KLRMXXSMUVYIHA-DTWKUNHWSA-N	224.308	-0.855	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)CCCC(=O)NN	1896481669	WMFLCFQVCDCXJT-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CO)N(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1900536016	XUWVYZXEISGKRP-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CC(C)N1CCN(C[C@@H](C)C(=O)NN)C1=O	1901277087	ZTEHZOPGYJMGHF-MRVPVSSYSA-N	228.296	-0.242	50	10	BBGE	
C=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901348570	LHSATMIMUZNBFK-MRVPVSSYSA-N	247.320	-0.655	50	10	BBGE	
COC(C)(C)C(=O)N1CC[C@@](C)(B(O)O)C1	1902512928	PGXZCFNVZKRQCP-SNVBAGLBSA-N	229.085	-0.123	50	10	BBGE	
CC[C@](C)(CN1CCCS1(=O)=O)C(=O)NN	1902733208	MOJWQQVTFBVYCM-SECBINFHSA-N	249.336	-0.572	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)[C@@H]1C	1903263954	CGSASLDHSNTNOT-RGOKHQFPSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@@H]1C[C@H]1C(=O)NN	1904707237	DPXFBQXESXKQOZ-KXUCPTDWSA-N	228.340	-0.506	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H](F)C2)[nH]c1	1905081199	IXRAXJKWNYEKRD-OTSSQURYSA-N	224.044	-0.657	50	10	BBGE	
C[C@]12CC[C@H]1CCN2c1ncc(B(O)O)cn1	1907072006	CYFGYTYHMHHTKQ-KWQFWETISA-N	233.080	-0.465	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(CO)CC1	1915532518	GASHYNRFDLGYLX-DTWKUNHWSA-N	227.308	-0.683	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917086393	HJXLZWLXJQGSDV-WPRPVWTQSA-N	233.287	-0.449	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@H]1C[C@H]1C(=O)NN	1918075382	ULYJBFWBTPPYBG-STPJVMRTSA-N	249.336	-0.643	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)C(F)(F)F)N(C)C	1923403844	WUAALRKBVIGWSG-BYPYZUCNSA-N	227.186	-0.354	50	10	BBGE	
COc1cnn(C[C@H]2C[C@@H]2C(=O)NN)c1	1927910379	GBMYGHFXCRPXDQ-SVRRBLITSA-N	210.237	-0.482	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927914718	XIFXLRNNSDQBPW-HRDYMLBCSA-N	210.281	-0.296	50	10	BBGE	
C[C@H](Br)CNC(=O)Cn1cnnn1	1928696261	LJAWBGNKPIYBMI-YFKPBYRVSA-N	248.084	-0.427	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2	1928935211	VUPJTUFTYCSANU-DSYKOEDSSA-N	229.305	-0.334	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1CC(=O)NN	1931526017	FPHIDRKEPMQWAX-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1932373957	ZWQKMBSOTOMGKC-BGZDPUMWSA-N	215.272	-0.098	50	10	BBGE	
CCn1ccc(C(=O)NNC(N)=S)n1	1933230112	ZAMSSBCZSGRTOM-UHFFFAOYSA-N	213.266	-0.619	50	10	BBGE	
CCOC1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936093182	BLNJBBSCXRLPBI-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H]1C[C@@H]1C	1936527374	AJXHOVXGLOQHIM-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CO[C@@H]1COC[C@H]1CN1CC(=O)OC(=O)C1	1939187582	FBFCWCYFLBXXQX-HTQZYQBOSA-N	229.232	-0.967	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@H]2C1=O)C(=O)NN	1940079611	AIUVQSTUMYFFSG-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1941011826	LLDXYEGNCSNAKI-YIZRAAEISA-N	247.314	-0.204	50	10	BBGE	
CN(Cc1cccnn1)C[C@@H]1C[C@@H]1C(=O)NN	1941083562	AIWLNAZUKMLZBS-WPRPVWTQSA-N	235.291	-0.466	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1944711632	CNUHAHMKVKAFII-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@H]2C[C@H](O)C2)[nH]1	1976105412	GAMYQWCIHLYNFK-ZLUOBGJFSA-N	243.698	-0.059	50	10	BBGE	
COCCOC[C@H]1CCCN1CC(=O)NN	1976170310	NXVOKGZYKOBENP-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ncno1	1976743768	CENARWTWADSRHM-RNFRBKRXSA-N	227.268	-0.484	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C[C@H]2O)C1)C(=O)NN	1978183852	BJXXSWIRZYFSOM-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CC12CC2	1979191691	RCTFERWGNGGJLR-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[S@](=O)CC1CN(CC2(C(=O)NN)CC2)C1	1979477683	PXUBFIHIEQYWCR-INIZCTEOSA-N	245.348	-0.933	50	10	BBGE	
CS[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1N(C)C	1980886340	CKFBOKAXFFVZQC-DJLDLDEBSA-N	246.380	-0.658	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CCC[C@H]21	1981422906	VRLMPBSLIZKLKL-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
Cc1cc(N2C[C@H](C)[C@@H]2C)ncc1B(O)O	1981470588	CBNJQMXBTGMBOV-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC[C@H]1OC	1983641093	PBISVKAHIZEADX-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
CC1(CCOc2ncc(B(O)O)cn2)CC1	1984551418	VSNMUROTBGNOCP-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1CCCC(=O)NN	1985714919	HUROKWDLPQQEPD-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
O=C(NCB(O)O)[C@@]12CCCCN1CCC2	1986979176	FTHWGMQQYIJMGT-JTQLQIEISA-N	226.085	-0.867	50	10	BBGE	
CN1CCCC12CN(CCCC(=O)NN)C2	1987148890	SAELXHFGZAIMIJ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
O=C(NNCCO)c1ccc2cncn2c1	1987619174	SNXTVUBKIXNQAZ-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
C=C(CN(C)Cc1cnn(CC)c1)B(O)O	1992148443	RWTLPXYADXTBCT-UHFFFAOYSA-N	223.085	-0.097	50	10	BBGE	
C=C(CN1CC[C@@H]2SC(=O)C=C2C1)B(O)O	1992154487	ZFBZLXDQKUCLKQ-VIFPVBQESA-N	239.105	-0.171	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncc(B(O)O)cn1	1993077741	XOICWQGCBGRQLK-JGVFFNPUSA-N	222.053	-0.419	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@@H]2C)ncc1B(O)O	1993081751	VTSYMVSCIJFLLZ-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]1(C)CCO	1994693091	DBJUGWYYUDHFKC-JTQLQIEISA-N	229.280	-1.000	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CCCNC1=O	2004248487	XBNYCSLSBXVHIX-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
Cn1cc([C@H]2CCN(CCC(=O)NN)C2)cn1	2004399667	RWCFGQOUWHREPL-VIFPVBQESA-N	237.307	-0.411	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2004602356	IHAWWJGNJMAOOF-RCWTZXSCSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](C1CCC1)N(C)c1ncc(B(O)O)cn1	2004914770	RVCLFFPSHOKEJT-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(O[C@@H](C)C(F)(F)F)ncc1B(O)O	2004930709	WBOHOXWBQOUAPK-YFKPBYRVSA-N	249.985	-0.206	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005988827	AAYVFTJATZQGBC-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CN(C)CCC1CN(CC2(C(=O)NN)CC2)C1	2007721584	QQEGZHJANUWRJA-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cc(F)ccc1B(O)O	2014605642	RXAYUDDIQQCTMQ-XCBNKYQSSA-N	240.039	-0.081	50	10	BBGE	
CN1CC[C@@H](C(=O)N[C@H]2CCC=C2B(O)O)C1	2020061918	MDGBXXFTBOEMPO-SCZZXKLOSA-N	238.096	-0.845	50	10	BBGE	
CN1CC[C@H](OC[C@H]2CC[C@H](C(=O)NN)O2)C1	2021071201	JTCVUJJPZJBEEA-IVZWLZJFSA-N	243.307	-0.755	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC=C(F)C1	2022196702	QBRRZCVXUSMUOE-UHFFFAOYSA-N	235.023	-0.324	50	10	BBGE	
OB(O)c1cccc(OCCc2cccnn2)c1	2029678193	DUKJUYCIPOXHAY-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1N(C)C	2052472440	LUWKYBJCRCPJIW-KOLCDFICSA-N	249.123	-0.852	50	10	BBGE	
CC=C[C@@H](O)C(=O)NN(C)CCOC	2053313386	DSYYFOTVHVQCOU-MRVPVSSYSA-N	202.254	-0.467	50	10	BBGE	
CCOc1c(C=O)cc(OC)cc1B(O)O	2060132713	KMIBFBNKASTWIN-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@H]2COC[C@H]21	2066307600	BQGAZJPWUPHWNJ-GZMMTYOYSA-N	248.286	-0.484	50	10	BBGE	
Cc1ccnn(Cc2ccc(C(=O)NN)o2)c1=O	2084714466	ZXZLKYZQCXEKRA-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
OB(O)c1csc(Cn2ccnn2)c1	2209685311	BJFLVYSCOGMIAU-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
C[C@@H](CN1CC[C@@H](OC(F)F)C1)C(=O)NN	2212386192	RUYAVBMXIALOLR-NKWVEPMBSA-N	237.250	-0.074	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H](CF)C2)nc1	2212603073	MRYGPKAFRJLJOT-FKQCQYRASA-N	225.032	-0.684	50	10	BBGE	
CC(C)[C@H](CN)Oc1ncccc1B(O)O	2212604505	PNONZMLHIZSGIO-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3[C@H](C[C@H]3O)C2)CC1	2213027206	FXAYBANWTLSYBD-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN(CCO)CC1CC1	2215776040	KLDGEQJBYIMYMO-QWRGUYRKSA-N	241.335	-0.293	50	10	BBGE	
OCCCCCCNc1ncccc1B(O)O	2217175034	CFGCFOQRTXYYON-UHFFFAOYSA-N	238.096	-0.274	50	10	BBGE	
NC[C@H](Nc1nccc(B(O)O)c1F)C1CC1	2217180987	MTJROECCKMHLFS-QMMMGPOBSA-N	239.059	-0.950	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2C(F)F)c1F	2217183728	KPWMEMYDCCLOPN-LURJTMIESA-N	245.997	-0.256	50	10	BBGE	
CC[C@@H](CN)CCOc1ncccc1B(O)O	2217185936	DGONEDWMOSOBOV-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CC[C@@H]1CNC[C@H]1Oc1ncccc1B(O)O	2217186300	IJWIWOITPOVFDR-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
C[C@H](CCCCO)Nc1cc(B(O)O)ccn1	2217199936	PNTOHFWCTGFIGN-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
CCCCc1nccn1-c1ncc(B(O)O)cn1	2221816064	OWBXCBULXVLXNC-UHFFFAOYSA-N	246.079	-0.315	50	10	BBGE	
CCc1nc(CC)n(-c2cc(B(O)O)ccn2)n1	2223608819	FMCWAZGVWXUSSL-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
Cc1cnc(N[C@]23CO[C@](C)(C2)C3)cc1B(O)O	2223648694	OOSJZKYVNWYTDV-HAQNSBGRSA-N	248.091	-0.197	50	10	BBGE	
CN(Cc1cccn1C)c1cc(B(O)O)ccn1	2223673294	FJRYSSUFIJGWEW-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)n(C)n1	2223678705	GOPMQZKNJSUHLU-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
CC(C)NC(=O)c1sccc1B(O)O	2241481024	OEZPVZWLDBXZAA-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)s1	2243350357	ZTOGKFUNHBFYKD-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
CN(CC(F)(F)CO)C(=O)C1(B(O)O)CC1	2243364146	RVVDTLOUIICCRS-UHFFFAOYSA-N	237.011	-0.921	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2(B(O)O)CC2)[C@H]1C	2243364282	UOXVHBXWNDGZEY-BIIVOSGPSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)C1(B(O)O)CC1	2243364537	YRDOKSQZDGZDKP-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCNCC1	2243372158	DISNLWCTXSETPU-DTORHVGOSA-N	226.085	-0.939	50	10	BBGE	
C=C(C)CONC(=O)c1sccc1B(O)O	2243374893	LOPOQBPSDNGQQR-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
O=C(NC1CCC1)c1ncccc1B(O)O	2243375345	RSAVDBZSEWOSMY-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)cs2)C1	2243377984	KQZXJCKXWZXWLR-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243390995	FCFGJEFNWRDOLM-KHONBHQKSA-N	227.069	-0.467	50	10	BBGE	
O=C(NC[C@H](O)C1CC1)C1CC(B(O)O)C1	2243391769	OBCIKMWOSYDWPZ-HACHORDNSA-N	227.069	-0.874	50	10	BBGE	
C[C@H](CCCCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243396927	SOBJSUNZXFVEFF-HRDYMLBCSA-N	229.085	-0.483	50	10	BBGE	
CC(C)C[C@@H]1CC[C@H]1NC(=O)C#CB(O)O	2243399497	MRBLXKTXVCANDG-VHSXEESVSA-N	223.081	-0.057	50	10	BBGE	
C#CCCC(=O)Nc1cccc(B(O)O)n1	2243679099	SJWSNNSAQUXHFC-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
CS(=O)(=O)N1CCC(OC(=O)N=C=O)CC1	2244062976	GDGPXPKLCIGRHQ-UHFFFAOYSA-N	248.260	-0.117	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2244343515	FJPDRRQVRYCPCO-CAWYRIKXSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC(F)(F)C(=O)NN	2245130952	YZXCEFWIFLDCBU-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)C1(B(O)O)CCC1	2247735669	NPZRERPRYLNVKG-IUCAKERBSA-N	241.096	-0.197	50	10	BBGE	
CNCCN(C(=O)C1(B(O)O)CCC1)C(C)C	2247753941	KLVYIVCDBBWAJM-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
O=C(N1CC[C@@]2(O)C[C@H]2C1)C1(B(O)O)CCC1	2247756861	ORRXJLWRKANSMJ-GZMMTYOYSA-N	239.080	-0.633	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCCC[C@H]12)C1(B(O)O)CC1	2247764946	XVMPPUQBFVVXCI-HLTSFMKQSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1C(NC(=O)c2ncccc2B(O)O)[C@@H]1C	2247769419	IHRTZMCSEMELRC-RNFRBKRXSA-N	234.064	-0.854	50	10	BBGE	
O=C(N[C@H](CO)C1CCCC1)[C@H]1C[C@@H]1B(O)O	2247798463	ULLGJEFHOAYKSR-LPEHRKFASA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCN[C@@H]2CC[C@H]21	2247804073	FAZIIRFDOHUQGZ-ZYUZMQFOSA-N	238.096	-0.798	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1occc1B(O)O	2247879655	WTIDZUUARNSEBH-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cnn(C)c1	2247896265	FWHOAWFAPCCVOH-FTLITQJKSA-N	237.068	-0.540	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2247897582	VBINPZMAUSNSDP-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
CC1CC(CO)(N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899805	QFTFBEKSZMZENQ-UVCIYIGYSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247900686	YWOXCLBWZJBMSI-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCCCF)c1ccc(B(O)O)cc1O	2247963550	PJMJAFFRWRBJMY-UHFFFAOYSA-N	241.027	-0.839	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248072577	SSJFJWHLHRNMIF-RULNZFCNSA-N	237.259	-0.993	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cocc1B(O)O	2249415541	FXDRNJMKYSMZPG-QMMMGPOBSA-N	233.032	-0.803	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1cc(B(O)O)co1	2249441063	SGLVNNPDYNTURV-RDDDGLTNSA-N	235.048	-0.368	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccncc1B(O)O)C2	2255459590	IYOKCUVNKHLAOA-PELKAZGASA-N	246.075	-0.757	50	10	BBGE	
O=C(NCCC1CCC1)c1cncc(B(O)O)c1	2255524936	ZOWLPTFPKOYHBJ-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1cccc(NC(=O)c2c[nH]nc2B(O)O)c1	2255546841	KBOJGZATXMGQLG-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C=CC1CCN(C(=O)c2c[nH]nc2B(O)O)CC1	2255548353	AQHORYOASPPMTR-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)n[nH]1	2255551052	RWKXLULAOHRSMS-WRWORJQWSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCCCCC1	2255709920	DETSGBKCDFAGLQ-UHFFFAOYSA-N	248.091	-0.222	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccoc1B(O)O	2255715425	FMDQLOKBTQSGCC-WPRPVWTQSA-N	249.075	-0.265	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ncccc1B(O)O	2255717840	PMNYKPJDSZLXOY-JOYOIKCWSA-N	248.091	-0.320	50	10	BBGE	
Cc1ncc(NC(=O)c2coc(B(O)O)c2)cn1	2255723477	DJJHLESJMFBDIV-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC(C)C1(NC(=O)c2nccnc2B(O)O)CC1	2256053305	KLSOTHFYKBCMTL-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ncc(B(O)O)cc1C	2257485786	KXJWLCKJYIAWNM-VIFPVBQESA-N	246.075	-0.836	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)co1	2258122773	HBFGGTZFDJRKHR-PRHODGIISA-N	249.075	-0.026	50	10	BBGE	
Cc1nnccc1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2261227400	ZYNKAPRVSJLCFP-MNOVXSKESA-N	249.318	-0.157	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2298370090	OFRBKBIIQPJZCZ-VFCFLDTKSA-N	239.080	-0.467	50	10	BBGE	
CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371404	KQQXPTWGINLKBO-IVZWLZJFSA-N	240.112	-0.693	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CNC2)[C@@H]1C[C@H]1B(O)O	2298376194	MTUMFEZGRFLSTJ-TURQNECASA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377149	GJJBVGJBNMASCX-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
CCC[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463438	CLVOVPCHSGDKCX-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
CC[C@@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463610	OHRSSQGXROCSOJ-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@H](COC)C(=O)NN	2299332788	VBTHPYNDSHCOFJ-BBBLOLIVSA-N	243.307	-0.997	50	10	BBGE	
CN1CC(N(C)CCC[C@H]2C[C@H]2C(=O)NN)C1	2300380855	PRBPTFZYZVPMMU-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CCC[C@H](COCCOCC(=O)NN)O1	2301070899	HTNFJALPHOEZCN-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
Cn1nccc1CCN1CC[C@](C)(B(O)O)C1	2303102095	QRAHPJBIRFVLSS-NSHDSACASA-N	237.112	-0.099	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3OCCC[C@H]23)nc1	2312612305	ORACXZHBIQGNBS-VWYCJHECSA-N	248.091	-0.259	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1CC[C@H]1N	2317162669	LAENAJGOELMGEV-PWSUYJOCSA-N	245.091	-0.836	50	10	BBGE	
C[C@]1(CO)CCN1c1ccc(C=O)c(B(O)O)c1	2317350671	WSCQHAZMUCTZGC-GFCCVEGCSA-N	249.075	-0.860	50	10	BBGE	
CC[C@H](CO)NC=C(C#N)C(=O)NCCOC	2324627023	BQOYIQBGOYBNRU-SNVBAGLBSA-N	241.291	-0.483	50	10	BBGE	
Cn1c(N)c(SC#N)c(=O)n(C)c1=O	1696274	UYKWCNQIKFIVDK-UHFFFAOYSA-N	212.234	-0.761	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H](C)C(N)=O	35796992	CDYOJUHXRHDVDL-QWWZWVQMSA-N	221.644	-0.687	50	10	BBGE	
CCCN(CC(F)(F)F)C(=O)C(=O)NN	42796594	WWCIPSOIVGLCDQ-UHFFFAOYSA-N	227.186	-0.223	50	10	BBGE	
NC[C@@H]1CCN(CC(=O)NNc2ccccn2)C1	50248417	CTALSAZWQDEOPU-JTQLQIEISA-N	249.318	-0.195	50	10	BBGE	
NC(=O)C1=CN2CC(C=O)=CN=C2C=C1	74208818	LRTFFEYYEXYTNH-UHFFFAOYSA-N	203.201	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CCN(C)CC1	82466475	GUBZLSCSKVLALG-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1CC(=O)NN	82470495	JLXNKVDFCJFKPR-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COCCN(C)[C@@H](C)CCC(=O)NN	82470609	HDLUWIYPQYAEGE-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CCCO[C@@H]1CCCN(CC(=O)NN)C1	82470818	AQFMEECRDKCIRJ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCOC1	134790884	FGXUIALQLQPKQF-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1Cc1ccccc1B(O)O	199009728	SEUSOZXMENAPAA-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](C(N)=O)C1	219251616	GCQKBKHWAHSHMK-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
COC[C@@H](SCC[C@@H](C)N)C(=O)NN	232421695	HYRQYNZQMRQGLN-RNFRBKRXSA-N	221.326	-0.538	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CCCN2C[C@H]1C	251565613	BUQWBZOYHIHLQS-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	252600168	LKBVVWGRYJVIIE-KATARQTJSA-N	241.335	-0.011	50	10	BBGE	
CCN([C@@H](C)CN(C)C)[C@H](COC)C(=O)NN	300017829	DBPMJCOKSAHOSA-VHSXEESVSA-N	246.355	-0.737	50	10	BBGE	
O=C1CN[C@@H]2C[C@H](Br)CN[C@H]2N1	307411064	KBMVEVGFRYNIEP-BFHQHQDPSA-N	234.097	-0.843	50	10	BBGE	
CN1CC[C@]2(CCN(CC(=O)NN)C2)C1	308878346	DLUYLQWRYAUPJR-JTQLQIEISA-N	212.297	-0.996	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@]1(C)CCO[C@H]1C	309738620	CWMHKDWDLAIIKR-XVKPBYJWSA-N	229.280	-0.689	50	10	BBGE	
COCCOCCN(C)CC(C)(C)C(=O)NN	310257246	GWYGECRGPKUWDN-UHFFFAOYSA-N	247.339	-0.403	50	10	BBGE	
C[C@@H]1C[C@H](N(C)[C@H](C)C(=O)NN)[C@@H](C)O1	384683859	AYBHTYNYRGWPGE-BGZDPUMWSA-N	215.297	-0.138	50	10	BBGE	
CN(CCCCO)CCCC(=O)NN	384821187	MWNOQPQVRKPRDW-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
OCCCN(CCO)C[C@H](O)CCl	385373231	PYLLIKICJZDIJI-MRVPVSSYSA-N	211.689	-0.737	50	10	BBGE	
C[Si](C)(C)c1cccc(B(O)O)c1C=O	385623810	JKGLLWPGACREJA-UHFFFAOYSA-N	222.125	-0.276	50	10	BBGE	
CS[C@H](C)CNC(=O)NNC(N)=S	388267714	DFGBQTPENDSQJN-SCSAIBSYSA-N	222.339	-0.215	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC(C)(CO)CO	393895762	VNWUEQJNWXGDGG-ZETCQYMHSA-N	223.700	-0.032	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1O	396064583	YPNKMWFCTTUSIW-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
C[C@H]1COCCCN1CCCC(=O)NN	398925107	MXRKQORRBHXBQM-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C2COCC1COC2	399939152	SYETWQWWDTXVEO-RTBKNWGFSA-N	243.307	-0.755	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C(=O)NN	403409989	KHZPKRRELVXAJA-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H](C(=O)Nc1ncc(B(O)O)s1)C1CC1	404998397	JWJURLFPCSILHD-RXMQYKEDSA-N	240.093	-0.193	50	10	BBGE	
CCC[S@@](=O)Nc1ncc(B(O)O)s1	405071432	IBOZBCAHPQAGSJ-CQSZACIVSA-N	234.111	-0.692	50	10	BBGE	
CCOC(=O)NNC(=O)C1CC(C)(O)C1	495859553	QCRJFABAKRPFRH-UHFFFAOYSA-N	216.237	-0.075	50	10	BBGE	
OCc1cc(S)c(B(O)O)cc1F	575705212	FVFXYBCIZAEAHC-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
OB(O)c1c(F)ccc2c1OCCCO2	675079279	FBLGFMHZFHIXMA-UHFFFAOYSA-N	211.985	-0.333	50	10	BBGE	
Cn1c(C=NNC(N)=O)cnc1[N+](=O)[O-]	687761599	PWBBDKRPZZDCAD-UHFFFAOYSA-N	212.169	-0.670	50	10	BBGE	
C[C@H]1CCCN(CCCC(=O)NN)[C@@H]1CO	688735990	HGLBVAPKTPVGAI-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCC[C@@H]1O)C(=O)NN	689840765	IIBWWCSLVRTBLH-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	691373714	VAHBUHDPSOFEAV-JGVFFNPUSA-N	229.280	-0.752	50	10	BBGE	
CCOC[C@H]1CCCN1[C@H](COC)C(=O)NN	696570192	UTNGCJNAVCFDHZ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CCl)CNC(=O)c1nnn(C)n1	697204439	QZLMOEJCTBIFNP-YFKPBYRVSA-N	217.660	-0.185	50	10	BBGE	
COc1ccncc1Cn1cc(B(O)O)cn1	703724296	MEBRBZNAHABKJF-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@@H](CO)C1	704010956	MWRUBAMXHTWVJY-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CN(C)C[C@H]2C1	706202458	KCSFSJXSGLYTCD-NAKRPEOUSA-N	240.351	-0.506	50	10	BBGE	
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N(C)N	707534863	LBZWTZDKXDYCOJ-SSDOTTSWSA-N	237.325	-0.718	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cncc(B(O)O)c1	713940634	UQDWETXPLJWQSM-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
NNC(=O)CCN1CCS[C@@H](CCO)C1	720087709	JRQLTVHWKUNTRT-QMMMGPOBSA-N	233.337	-0.834	50	10	BBGE	
CC1(C)CC(CS(=O)(=O)NCB(O)O)C1	723796479	YRHCPMNWLKSHSU-UHFFFAOYSA-N	235.114	-0.646	50	10	BBGE	
COCC(=O)NN=C(C)Cn1ccccc1=O	761809848	IIGLCZNAOYUTGX-UHFFFAOYSA-N	237.259	-0.013	50	10	BBGE	
CO[C@@H](C)C(C)=NNC(=O)[C@H]1COCCO1	763179113	MKLPCYXKWMGBBW-DTWKUNHWSA-N	230.264	-0.071	50	10	BBGE	
CCOCCC=NNC(=O)[C@@H]1COCCO1	788433190	JHWODSNPACSKJG-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1CCc2nc[nH]c2C1	856756534	CFRIVUQGJVDMQE-ZCFIWIBFSA-N	238.247	-0.098	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1F	857318091	UGHLBLWVMBJWFV-LURJTMIESA-N	240.238	-0.390	50	10	BBGE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NNC(C)=O	905067984	SIXIJBCXJCYGGD-LPBLVHEISA-N	200.238	-0.175	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1C[C@H](C)CO1	911439223	LUVQEBUPXJIOOJ-DTWKUNHWSA-N	216.281	-0.243	50	10	BBGE	
N#CCCCCC(=O)NNC(=O)c1ncon1	1134397301	VLQBGECBOIOYOX-UHFFFAOYSA-N	237.219	-0.085	50	10	BBGE	
CNC(=O)NNC(=O)c1c(C)cnn1C	1292010824	QJPKPAOQFQXWIZ-UHFFFAOYSA-N	211.225	-0.698	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCCOCC1	1326643219	LYMXSLVWRUUHLD-ZETCQYMHSA-N	215.253	-0.237	50	10	BBGE	
Cn1ccc(NNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1	1334722588	FQEXGUJSCZUZQH-QMSLJYSESA-N	222.248	-0.244	50	10	BBGE	
Cc1nn[nH]c1NC(=O)c1ccc(B(O)O)cc1	1454198052	YBWQQHSVQYCQLP-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](O)c1ccc(C#N)cc1	1539517879	IGHABDUOSVVOJK-JTQLQIEISA-N	233.227	-0.241	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cccc(O)c1O	1558991608	BHKCTGZAWFUXGK-UHFFFAOYSA-N	235.203	-0.027	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cn[nH]c1	1587135749	VBWOIHGNHYMJCN-NBEYISGCSA-N	248.242	-0.604	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)co1	1640344874	CROIEAVWNUFBCR-UHFFFAOYSA-N	245.198	-0.051	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCO1	1889800472	WQKIGRSPRXPUQM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CO[C@@H](C)CCSc1ncncc1B(O)O	1900317310	RXWIBEQLDCJVFN-ZETCQYMHSA-N	242.109	-0.327	50	10	BBGE	
CCON(CC)C(=O)c1cnsc1B(O)O	1900452437	RQPKXSYPZZGZPJ-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
COC1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	1900506078	JOICYWFXQZJHPS-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@]1(C)CCN1	1901376532	BRGDWRUDGFNMNM-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
Cn1[nH]c(N2CCC(O)(C#N)CC2)nc1=N	1903472703	AHLVGWCEUXFXBX-UHFFFAOYSA-N	222.252	-0.917	50	10	BBGE	
O=C(NC1(C(=O)O)CCNCC1)[C@H]1C[C@H]1Cl	1904966288	NVTYPPBGIRFOFR-NKWVEPMBSA-N	246.694	-0.063	50	10	BBGE	
COc1nc(C)cc(=O)n1[C@@H](C)CC(=O)NN	1905551447	PHAQCMGDCCBHTL-ZETCQYMHSA-N	240.263	-0.499	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]2[C@H]2C[C@@H]32)CC1	1905787583	SVNSUJMKKKPZFN-XGEHTFHBSA-N	235.287	-0.377	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C[C@@H]1C[C@H]1C(=O)NN	1907365669	ZBGPVWKTLNHWFE-HPENLJRUSA-N	239.319	-0.563	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ncc(F)cc1B(O)O)C2	1909027373	PQEVJUQIVORRRD-WRWORJQWSA-N	236.055	-0.253	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914252835	ALLMHFSGUQTRDR-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2CC(CN)C2)CC1	1916749076	GHEYNOUHUVHPBW-UHFFFAOYSA-N	237.303	-0.152	50	10	BBGE	
O=C=N[C@@H]1CCCN(S(=O)(=O)C2COC2)C1	1923188755	HDPSCEYSPARQHK-MRVPVSSYSA-N	246.288	-0.485	50	10	BBGE	
CON(C)Cc1cnc(C(=O)NN)s1	1928677661	DSLFNMRUJHRORC-UHFFFAOYSA-N	216.266	-0.260	50	10	BBGE	
CCS(=O)(=O)N[C@@H]1CN(C)C[C@H]1Cl	1928750610	HXHFJHCFUWNYQK-RNFRBKRXSA-N	226.729	-0.153	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1[C@H](C)C(=O)NN	1930115752	JXFMLESSYBPRGC-XAVMHZPKSA-N	215.297	-0.544	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@@H]1COC[C@H]1N	1930129902	GCPMWDASCFQCQQ-RNFRBKRXSA-N	217.269	-0.258	50	10	BBGE	
CCC1(C)CC(CNC(=O)C(=O)NN)C1	1933322799	ACBOULCCOHCXCD-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc([N+](=O)[O-])c1	1936083829	KWSZTMLPXXGCQP-WDSKDSINSA-N	225.208	-0.583	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc([N+](=O)[O-])c1	1936090838	KWSZTMLPXXGCQP-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
CCCN(Cc1nsc(C(=O)NN)n1)OC	1937124827	XSYDWWMIWFOIDT-UHFFFAOYSA-N	245.308	-0.085	50	10	BBGE	
Cc1cccc(=O)n1CC1(C(=O)NN)CC1	1938257587	CPZFCSAVSMCFAG-UHFFFAOYSA-N	221.260	-0.073	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H](C)CC(N)=O	1938362573	UQSABBFNUWFGJM-HTQZYQBOSA-N	230.312	-0.659	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(COC(F)(F)F)C1	1939536874	PXXAJZGZMVHFMW-RXMQYKEDSA-N	241.213	-0.167	50	10	BBGE	
CN(C)C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941070279	ASXXZGMNXJRHRF-AXFHLTTASA-N	240.351	-0.504	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C[C@H]1C[C@@H]1C(=O)NN	1941088463	QRGATOAXNKDDRY-VLEAKVRGSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H](O2)C1=O	1941091042	UHURDFCRYCRDCH-RYPBNFRJSA-N	239.275	-0.998	50	10	BBGE	
CC1(C)C[C@@H](CO)N(CCOCC(=O)NN)C1	1945906928	WIYBAYAKCQIMPJ-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc2c(c1)CCC2	1947323137	KAKVKDCXZMZJMX-UHFFFAOYSA-N	233.271	-0.219	50	10	BBGE	
O=C1CC(c2nc(O)nc(O)n2)CC(=O)O1	1952977600	MXKQVOIZEILPDE-UHFFFAOYSA-N	225.160	-0.770	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@@H](O)CCl	1954178025	OFWSZLAYVWQZCE-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC[C@@](O)(CO)C1	1955551260	NNGYRSXXNJGJBF-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
O=C([C@H]1CCS(=O)(=O)C1)N1CC(Cl)C1	1956900877	PKNZAUMNAOQLEY-LURJTMIESA-N	237.708	-0.129	50	10	BBGE	
CCSc1nc(C)nc(C)c1B(O)O	1956964214	FORBDLFESUKBQO-UHFFFAOYSA-N	212.083	-0.115	50	10	BBGE	
C[C@@]1(CO)CC(F)(F)CN1CC(=O)NN	1958334371	CBLZNEGMZHOASJ-ZETCQYMHSA-N	223.223	-0.932	50	10	BBGE	
CC[C@H](CNC(=O)C(=O)NN)C(C)(F)F	1961510182	ZOOPIRSZMOTFGM-RXMQYKEDSA-N	223.223	-0.226	50	10	BBGE	
OB(O)c1cnccc1OCC1CCC1	1961712258	KOSITYPTQZLTAI-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
CCc1cc(B(O)O)cn2cc(C)nc12	1974582062	RPLDAPXHALQTHC-UHFFFAOYSA-N	204.038	-0.115	50	10	BBGE	
Cc1ncncc1N1CC(=O)OC(=O)C1	1975193375	ZEIIKWVADOBIHO-UHFFFAOYSA-N	207.189	-0.325	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CCCC(=O)NN)C2	1978983107	ZJEKGYWBKTXQAA-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnn(C)n1	1981349773	YEBKZCAJJAZJBE-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
CC[C@H](C)OCn1cccc(B(O)O)c1=O	1984102876	YDJIDLYMVDOPOH-QMMMGPOBSA-N	225.053	-0.699	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C1(CO)CC1	1986546437	NSJAUEIXMMRERT-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cc(F)cnc1S[C@H]1CCOC1	1988011853	CFNRYGFMFSRUPR-ZETCQYMHSA-N	243.068	-0.219	50	10	BBGE	
CCCN(C)C1CN(C[C@@H](C)C(=O)NN)C1	1989652882	BPCVSNQFMKGWHT-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
O=C(CCOCC(F)F)NCC=CB(O)O	1991326953	LZXZYKCQRRXFNW-UHFFFAOYSA-N	237.011	-0.657	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@H]1C(F)(F)F	1991338126	QAQNJZSKFXUELI-WDSKDSINSA-N	236.986	-0.131	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)[C@H]1CC(=O)NC1=O	1991651211	HHBOGGBPKLRIMX-YFKPBYRVSA-N	244.634	-0.819	50	10	BBGE	
O=C(N[C@]1(C(=O)O)CCCNC1)[C@@H]1C[C@H]1Cl	1991679081	IYQFIYLXGKIVKC-BRDIYROLSA-N	246.694	-0.063	50	10	BBGE	
O=C(N=c1cc2n([nH]1)CCNC2)[C@H]1C[C@@H]1Cl	1991683739	WHPFWTSWPJTSFX-YUMQZZPRSA-N	240.694	-0.026	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@]2(CO)C1)C(=O)NN	1992489966	QICANLPMPREZDW-FXPVBKGRSA-N	227.308	-0.683	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1C[C@@H]2C[C@@H]2C1	2000208906	ORRVRFXKSNNQRY-RTCCRHLQSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)CC[C@@H]1CO	2000985650	YTMWDGLZYDBMNY-LMLFDSFASA-N	243.351	-0.049	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)[C@@H]2C[C@H]21	2002909301	MFZQVEXJRXSMRA-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CN(Cc1c(C(=O)NN)cnn1C)CC1CC1	2003506614	XFPGIVRPPCAJKI-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
C[C@H](CN(C)CCCn1cccn1)C(=O)NN	2003823668	AFMXHTPEIUIIFU-SNVBAGLBSA-N	239.323	-0.169	50	10	BBGE	
OB(O)c1cccc(CN2CCO[C@H]3C[C@@H]32)c1	2004486082	HIFDBPNPOORHCQ-RYUDHWBXSA-N	233.076	-0.661	50	10	BBGE	
CCc1nc(C)cn1-c1ncc(B(O)O)cn1	2005004731	IQJZPFLIDHWZFZ-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCCC1(C)C	2019207420	DHWCQIIXNFZNNY-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
CC1(C)OCCC[C@@H]1C(=O)NCC=CB(O)O	2020062538	SCSDDHPCPYHXRO-SECBINFHSA-N	241.096	-0.124	50	10	BBGE	
O=C(CC1CC(C(F)F)C1)NCC#CB(O)O	2021105544	ULNQTKXLVFSSCA-UHFFFAOYSA-N	245.034	-0.201	50	10	BBGE	
NNC(=O)c1coc(CN2CCOCCO2)n1	2021404881	WTFRBPQTUBXLRR-UHFFFAOYSA-N	242.235	-0.958	50	10	BBGE	
CO[C@H]1CCN(CCCC(=O)NN)C[C@@H]1OC	2022123787	JNMMYXQWATUCEM-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccccc1B(O)O	2022197183	YTXNWUGFCNINRB-QMMMGPOBSA-N	239.055	-0.156	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(C)(C#N)C2)n1	2027010171	QPPUXWMOUPEMSQ-UHFFFAOYSA-N	248.290	-0.631	50	10	BBGE	
CCNC(=O)N1CCc2cc(B(O)O)ccc2C1	2032567384	FTDCDUXJCNEXIG-UHFFFAOYSA-N	248.091	-0.546	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC2CC1C2	2034313702	PTJMYSUYRBLRAV-UHFFFAOYSA-N	247.103	-0.031	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCc2nnccc2C1	2043020179	QJTZHQZWDGUGHX-LLVKDONJSA-N	249.318	-0.151	50	10	BBGE	
CN(C[C@]12CCC[C@@H]1C2)c1ncc(B(O)O)cn1	2052469631	SZGWMCSKIZYEQN-BXKDBHETSA-N	247.107	-0.217	50	10	BBGE	
COc1c(B(O)O)ccc(Cl)c1C=O	2060131863	QWUHGHKGAAYMCJ-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCOc1c(C#N)ccc(F)c1B(O)O	2060170527	KDNOLPNSSGWREA-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071024585	ADDPLKDUIBKPNL-LALMQGGXSA-N	246.075	-0.563	50	10	BBGE	
CCc1nccn1Cc1nscc1B(O)O	2211137028	ZTFQNPBLQDONPK-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
C[C@]12C[C@@H]1CN(Cc1nscc1B(O)O)C2	2211137097	ATGXHCKDVTTZCR-GMSGAONNSA-N	238.121	-0.335	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@@H]2C[C@H]2C1	2211137261	CVELAMDHOCLQKE-SFYZADRCSA-N	238.121	-0.335	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H](CF)C1	2211147758	XPZCZZCBTIPABA-SSDOTTSWSA-N	244.100	-0.386	50	10	BBGE	
CP(C)(=O)CCNc1cc(B(O)O)ccn1	2212602538	FYAKHQXYBATJMP-UHFFFAOYSA-N	242.024	-0.204	50	10	BBGE	
CC[C@@H](CO)Nc1cc(B(O)O)c(C)cn1	2212604069	LRCPXNODPJEAGO-QMMMGPOBSA-N	224.069	-0.747	50	10	BBGE	
C[C@H]1[C@H](Nc2ccc(B(O)O)cn2)C1(F)F	2212604692	YZAOBCNMJYTPQD-XNCJUZBTSA-N	228.007	-0.173	50	10	BBGE	
C#CC(C)(C)Nc1nccc(B(O)O)c1F	2212606649	XQKJGERZHOJRRV-UHFFFAOYSA-N	222.028	-0.276	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2212613473	VXGDEQYPURFBGL-IONNQARKSA-N	221.069	-0.243	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	2213023722	FCMKGTSWUMBQTG-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2214987293	CVKZTWHSFOIIMM-FXBDTBDDSA-N	239.080	-0.372	50	10	BBGE	
Cc1nc(O[C@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2216570103	SLGYUCLNCBRPDE-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
N#Cc1cccn1-c1nccc(B(O)O)c1F	2217162594	JOZHJHBXMMLTQF-UHFFFAOYSA-N	230.995	-0.437	50	10	BBGE	
CNCC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2217166654	IHJJZWXIPVVKGL-SECBINFHSA-N	238.096	-0.553	50	10	BBGE	
CC(C)[C@](C)(CO)Nc1ncccc1B(O)O	2217171984	GERQPHRQMZGOIG-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1c1ccc(B(O)O)cn1	2217177673	LZBFUXPVURZYMU-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
C#CCCCN(C)c1cc(B(O)O)c(C)cn1	2217181391	PHXXVDISZIBRGD-UHFFFAOYSA-N	232.092	-0.081	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1nccc(B(O)O)c1F	2217185217	ZKLBWOSBQRYIBL-POYBYMJQSA-N	242.059	-0.528	50	10	BBGE	
C[C@H](N(C)c1ccc(B(O)O)cn1)C(C)(C)O	2217201428	PMOMAWLHSKFQCJ-QMMMGPOBSA-N	238.096	-0.643	50	10	BBGE	
CC1(C)C[C@H](Nc2ncccc2B(O)O)CCN1	2223637115	OFDMPNOCLQNDGL-SECBINFHSA-N	249.123	-0.296	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ccc(B(O)O)cn1	2223651476	XETZWSPJQUNJHW-UMNHJUIQSA-N	248.091	-0.889	50	10	BBGE	
CN1CC(N(C)C(=O)C2(B(O)O)CCC2)C1	2243349697	PERYEGDQKLHMGY-UHFFFAOYSA-N	226.085	-0.844	50	10	BBGE	
C[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CCC1	2243350239	XYMMLUBHMUPESZ-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)o1	2243362076	LPLCZKCGCHYLST-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)C1(B(O)O)CC1	2243364171	SFNJVPGBMIASDG-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CCN(O)C(=O)c1ccc(F)c(B(O)O)c1	2243366640	GJSXJWGYQRDKAY-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCF)c1	2243367022	MGFZNANPTZCNKT-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
C[C@H]1[C@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381812	IZOWCUMYWGBBKJ-RBXMUDONSA-N	226.085	-0.813	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CCC1=O	2243385587	LGJHIZNVUPFELB-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
C#CCC1(NC(=O)C#CB(O)O)CCCC1	2243399233	KORJZFXHGKPBLM-UHFFFAOYSA-N	219.049	-0.546	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243427017	OXXPNUSOLUZCBX-UYXSQOIJSA-N	226.085	-0.955	50	10	BBGE	
CC(C)(F)C(=O)NCc1ncc(B(O)O)s1	2243685570	XGLDHXKISUYTIV-UHFFFAOYSA-N	246.072	-0.813	50	10	BBGE	
CC#CCC(=O)Nc1ccnc(B(O)O)c1	2243701875	IKIWTCPATUZKEG-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2244214557	UOEHMJZANFHWJI-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C[C@H](C(=O)NCCC#CB(O)O)C(F)(F)F	2244545947	DXRKVVLJRURWPW-ZCFIWIBFSA-N	236.986	-0.294	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC[C@@H]2O)ncc1Cl	2245913563	UDVFJVRNIUDSHT-YUMQZZPRSA-N	242.471	-0.650	50	10	BBGE	
CCn1cccc1CN(C)C(=O)C#CB(O)O	2247743388	CRNFFIHUZIGCEX-UHFFFAOYSA-N	234.064	-0.518	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(F)cc1B(O)O	2247751805	CGKZIAGFVYEBTJ-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)C1(B(O)O)CC1	2247755323	PIJDOXADURCBAV-JQCXWYLXSA-N	239.080	-0.731	50	10	BBGE	
O=C(N1CC[C@]2(O)C[C@H]2C1)C1(B(O)O)CCC1	2247756863	ORRXJLWRKANSMJ-KWQFWETISA-N	239.080	-0.633	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2247758703	WDXMATJJWCWAMM-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)CCO[C@@H]1CNC(=O)C1(B(O)O)CC1	2247759290	ZSNVKAQRMIKGAL-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@]2(CO)C1	2247786815	GXZACXOFGZDNPS-WYOJIJJFSA-N	239.080	-0.920	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247797359	ISENZDYQTOIBOX-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
CCN(CC)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2247800766	SOAPIAQIZKWXHM-VHSXEESVSA-N	242.128	-0.303	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@H]2CCC[C@@H]2C1	2247847357	WEQPZCZPGHSAGJ-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
Cc1cc2c(s1)CCN(C(=O)C#CB(O)O)C2	2247850231	LRTNTVKMULAIKF-UHFFFAOYSA-N	249.100	-0.043	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1(CO)CC(C)(C)C1	2247851187	WJVBWTIJSHKLEU-UHFFFAOYSA-N	239.080	-0.989	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H](NC(=O)C#CB(O)O)CO1	2247851455	YRORTJPJBDZGHT-IUCAKERBSA-N	239.080	-0.678	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H]2[C@@H]1CO)C1(B(O)O)CCC1	2247874882	QPFDEOXWQXRYIW-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
Cc1oncc1CNC(=O)C1(B(O)O)CCC1	2247877430	ARRSUZMWIJZEEL-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)C[C@H]1O	2247878679	MDSLKUZFRXTLQZ-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1COCCN(C(=O)C2CC(B(O)O)C2)C1	2247891676	MBWPWTPEYZPBQU-XNWIYYODSA-N	241.096	-0.266	50	10	BBGE	
CC(C)(CO)CCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247897205	PLGJTPQUMOSPPR-RKDXNWHRSA-N	243.112	-0.236	50	10	BBGE	
COCC(C)(COC)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247900440	WTZQDKAQOWPGFD-SFYZADRCSA-N	245.084	-0.983	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902878	HZOMGNQAIHHWTP-OCAPTIKFSA-N	237.064	-0.079	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)C1CC(B(O)O)C1	2247910252	NXCPCUXKFSDFCN-RTBKNWGFSA-N	239.080	-0.347	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2248573585	GVMKKTJVINTMTE-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
C[C@H](C(=O)O)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248587457	PSUOLJOLSOUEFC-ARDNSNSESA-N	241.052	-0.972	50	10	BBGE	
CN(CC1COC1)C[C@@H]1CC[C@@H](C(=O)NN)O1	2249014025	OIXSXCHFUOFQHR-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2249346311	NERRKHJRLVLEKL-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)[C@@H](C)C(C)(C)O1	2250473047	PZWTVNPNRXFVDJ-IUCAKERBSA-N	239.080	-0.584	50	10	BBGE	
C[C@@H](C(F)F)n1cnc2c(B(O)O)ncnc21	2253073614	ZMEOGLJEMUUCST-BYPYZUCNSA-N	241.994	-0.668	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(C)cc1B(O)O	2255515045	ROFWCZDOHBNFEZ-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)C1CCC1	2255522597	LTZXPSPJZRJVEO-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
N[C@@H]1CCN(C(=O)C#CB(O)O)c2ccccc21	2255673120	CPTUITODTPOCNL-SNVBAGLBSA-N	244.059	-0.562	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255690690	FXHSVZSANQAPEO-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CC[C@H]2C1	2255694007	VWWVLYMAXUCTAD-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2ccoc2B(O)O)C1	2255714215	NJXUHUQWRFNYAT-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
Cc1cc(C(=O)N2CCCCN2)ccc1B(O)O	2255730205	IQHRVTRNHAKWDR-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1cccc(C)c1B(O)O	2255735095	MXBFIRUSELGYSX-NXEZZACHSA-N	249.075	-0.808	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1cc(B(O)O)co1	2258129696	YOFBOXOKQNOZEF-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
Cc1cc(O)ccc1C(=O)NCCC#CB(O)O	2258956113	CSOZALJMIJLIJB-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2298370033	MFBQXFTUEMGANK-DFLMOOGLSA-N	240.112	-0.375	50	10	BBGE	
Cc1ncnc(O[C@@H]2[C@@H](C)C[C@H]2C)c1B(O)O	2301273277	BNQWXFPZDFVWTG-MTBHXBHISA-N	236.080	-0.112	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	2302207830	MYKXSDZZCGWBPN-RNJXMRFFSA-N	249.261	-0.279	50	10	BBGE	
CCCCNC(=O)CN1CC[C@@](C)(B(O)O)C1	2303097963	SJVJFWQBDJHCAC-LLVKDONJSA-N	242.128	-0.159	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCO[C@@H]2CCOC2)C1	2303161087	LMRXAJDZGPKKLK-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
CCOCCCNC(=O)N1CC[C@@H](B(O)O)C1	2303164593	WGVYFFIJERRSOU-SECBINFHSA-N	244.100	-0.329	50	10	BBGE	
CC[C@](C)(CN1CC(C)(C(N)=O)C1)C(=O)NN	2303421027	GSKGNEABCGMNSQ-SNVBAGLBSA-N	242.323	-0.800	50	10	BBGE	
CC[C@@](C)(CN1C(=O)CCCC1=O)C(=O)NN	2303437095	HQDQLEWYPMKRDY-NSHDSACASA-N	241.291	-0.068	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303837382	ZTHRZGLMNRAKCW-SNVBAGLBSA-N	234.039	-0.276	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC[C@@H]2C[C@@H]2C1	2309537999	DWGBGDNOLGBFKB-BBBLOLIVSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CNCC23CC3)c1	2314817597	SZOGITKTNXNRIQ-VIFPVBQESA-N	247.107	-0.827	50	10	BBGE	
C[C@@H](NS(=O)(=O)N(C)C)C(=O)Cl	11892980	FBZGZABETFHGQQ-SCSAIBSYSA-N	214.674	-0.464	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CCO1	82466168	SBGVGUIZNQJKQC-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)(C)N1CCN(CC(=O)NN)CC1	82471179	XCQMYQNHXPQVHD-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
N[C@@H](CCCCN/C=C\C=O)C(=O)O	111436729	GMWIWURZXAXNSK-LBLVLHIFSA-N	200.238	-0.129	50	10	BBGE	
NC[C@H]1CCN(Cc2occc2C(=O)NN)C1	111611201	OMIJOZCZERHPQK-MRVPVSSYSA-N	238.291	-0.336	50	10	BBGE	
CCOC(=O)/C=C(\N)NNC(=O)OC	137895995	PTLDNBQINFRRDG-SNAWJCMRSA-N	203.198	-0.790	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C(=O)NN)CCO1	162703874	JCQOXRLXLOMJAY-ZCFIWIBFSA-N	215.253	-0.950	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCOC2)cc1	201371215	LULGLWKERHGBJE-NSHDSACASA-N	222.049	-0.076	50	10	BBGE	
COCCNCc1ccc(B(O)O)s1	203614129	QVJGISINQWWHCE-UHFFFAOYSA-N	215.083	-0.836	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1CCCO	232419378	XLFQKRKDMMODPC-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)O)C(=O)NC(=O)CCCl	238421399	ODUPOGCZXWLREI-BYPYZUCNSA-N	207.613	-0.021	50	10	BBGE	
O=C(NCCCl)N1CCN(CCO)CC1	244083848	UELPDTKFLPYXDQ-UHFFFAOYSA-N	235.715	-0.455	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(N)=S)[C@H]1C	252665004	YFRYFMMBCVOJDI-YTLHQDLWSA-N	231.321	-0.090	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1	306176639	WRDFSYNRLAXIKU-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
O=C1[C@H]2O[C@@H]2[C@H]2O[C@H]2[C@H]1Br	306205431	GJJDIMLERSBQTA-GAUXRLGASA-N	205.007	-0.133	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	308863071	KGWIMVHUSRSJKM-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C=CCOc1cc(OC)ccc1B(O)O	308996494	XQTVPXMOCGWRFM-UHFFFAOYSA-N	208.022	-0.060	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCSCC1	309313508	IMBFDHOOBFMSED-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCN1CC(=O)NN	379806572	MMIFPZAPPSFNHH-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
N#CSCCCN=c1ccc2nnnn2[nH]1	381573131	YKYNVQGYPVNFNY-UHFFFAOYSA-N	235.276	-0.043	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C/B(O)O)[C@H]2OC(C)(C)O[C@@H]12	383979962	HISPYFKZAYAYFO-IFLQBHJUSA-N	244.052	-0.554	50	10	BBGE	
CC1(O)CN(Cc2csc(C(=O)NN)n2)C1	384026201	DIWICIQPUAVZOB-UHFFFAOYSA-N	242.304	-0.687	50	10	BBGE	
Cc1ccnn1Cc1nc(C(=O)NN)co1	386771514	JXJJIZVPALWLEY-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nccs1	387604156	JDJBAJWTZPZOLS-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(CO)c(B(O)O)c1	396057916	NGAVBQFOPVRZKO-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
COC[C@@H](C1CC1)N1CC(=O)OC(=O)C1	398369535	PSDZLIXDNTYZJI-QMMMGPOBSA-N	213.233	-0.203	50	10	BBGE	
C[C@H](SCCC(N)=O)[C@@H](C)C(=O)NN	399165605	MCSLCLYSRHBMEN-RITPCOANSA-N	219.310	-0.391	50	10	BBGE	
NNC(=O)CCOCCOCC1CC1	400741467	IAKSZMNXSGNHBR-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
CC[S@@](=O)Nc1ccc(C)c(B(O)O)c1	405095501	XCPAHBHSEIRABS-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@@H]1CCO	697208962	RQSGBNPXINWOEF-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)Cc1ccc(Cn2ccnn2)cc1	699018322	LRHGHLGJMKCDOL-UHFFFAOYSA-N	231.259	-0.141	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]3C2=O)nc1	715551445	UXTRSNVGFTUIIW-WCBMZHEXSA-N	246.270	-0.337	50	10	BBGE	
CN(C)C[C@H](Cl)CNCc1nnnn1C	717366203	MVYMYMRSHIOPSJ-SSDOTTSWSA-N	232.719	-0.531	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCS1	718300792	WADBRKVMMMYHFR-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CC(C)(O)[C@H]1CCCN(CCC(=O)NN)C1	719668246	QPZHDLKFGIBPDT-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2CC[C@@H](O)[C@H]1C2	721714196	FEHRPDKWLLZNOA-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
CN(C)Cc1nsc(C(=O)NN)n1	724348715	ADCDVEQXXUQFHO-UHFFFAOYSA-N	201.255	-0.797	50	10	BBGE	
CN1CCC(=NNC(=O)Cc2ccccn2)C1=O	761806971	KQINZSXMQHZVSE-UHFFFAOYSA-N	246.270	-0.042	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(=O)CC	765025305	KDFDBHSNRAIWCT-UHFFFAOYSA-N	223.298	-0.396	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](O)C1CCC1	823716733	POYRGJSHTLUHJW-MRVPVSSYSA-N	214.265	-0.049	50	10	BBGE	
COCC(=O)NN=Cc1cc2n(n1)CCC2	853318546	RCAOCZJUSIMVNS-UHFFFAOYSA-N	222.248	-0.074	50	10	BBGE	
CC1=NO[C@H](C(=O)NNC(=O)c2ccnnc2)C1	854968488	HZEDDEPJRFSKNC-QMMMGPOBSA-N	249.230	-0.598	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC2(F)F)nn1	855193508	XLOGJCXVWPMFRL-BYPYZUCNSA-N	245.189	-0.769	50	10	BBGE	
CC[C@H](O)[C@@H](C)C(=O)NNc1nnc(C)n1C	912676657	DMSAVFWKIQVHAH-SVRRBLITSA-N	241.295	-0.026	50	10	BBGE	
C/C(Cl)=C/C(=O)NNC(=O)c1cnn[nH]1	1543026399	CCPLOTLFLQYAHL-RQOWECAXSA-N	229.627	-0.292	50	10	BBGE	
O=C(NNc1ccccn1)C1(O)COC1	1556063460	BLOFFKJUAAIWAW-UHFFFAOYSA-N	209.205	-0.714	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H]1C[C@H]1C(N)=O	1645281274	NJIZHKVXXWYUPC-SFYZADRCSA-N	237.259	-0.941	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNC(=O)c1ncon1	1648116534	WCMJGZBMWNPDPK-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)N	1880023176	JUILCFWHKXELQN-RNFRBKRXSA-N	247.295	-0.407	50	10	BBGE	
OC[C@H](O)CN[C@H]1C[C@@H](Br)C1	1880297514	PUPRJUAIIZKPTL-DSYKOEDSSA-N	224.098	-0.145	50	10	BBGE	
C[Si](C)(C)O[C@H]1CS(=O)(=O)C[C@H]1N	1882033491	STHPQLYWEWXPMA-RQJHMYQMSA-N	223.370	-0.038	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1883640766	VWOFMOJPRLBSES-VWDOSNQTSA-N	207.657	-0.528	50	10	BBGE	
N[C@@H]1CC[C@H]1NC(=O)/C=C/C(=O)Cl	1883647613	OPGYVTCBZWBGLT-BYVKAKODSA-N	202.641	-0.086	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1884657815	KFSWTCCFOUHQMI-IONNQARKSA-N	201.270	-0.524	50	10	BBGE	
O=C1NCC2(CN(C(=O)OCCl)C2)N1	1884974853	DKWPQGHDMKZNIX-UHFFFAOYSA-N	219.628	-0.314	50	10	BBGE	
CC[C@H](CO[C@H](C)C(=O)NN)N(C)C	1885003331	QHNLGXLTVWKVRI-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
O=C(NCCOC1CNC1)[C@H]1C[C@@H]1Cl	1887448023	XIISQHDWBXROKO-YUMQZZPRSA-N	218.684	-0.282	50	10	BBGE	
CCOCCCNC(=O)NNCCO	1892655803	QFHTZLCHAUUAKB-UHFFFAOYSA-N	205.258	-0.791	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@]2(CO)C1	1894666220	OFTFWMNPNPLJAF-QCBRBAQYSA-N	227.308	-0.685	50	10	BBGE	
C=C(CN1CC[S@](=O)C[C@@H]1C)B(O)O	1895097334	OPEJZWBDPQHSPP-RTHLEPHNSA-N	217.099	-0.993	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@H]2C1	1896374608	CPGUGJSJYBNECT-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C[C@H](O)CCl)C[C@H]21	1900558577	NAJWXYNNSCNMCB-NGJRWZKOSA-N	218.684	-0.751	50	10	BBGE	
Cc1cnc(CN2CC[C@H](B(O)O)C2)cn1	1902512421	LPWFXPLOJIRYJZ-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@]2(O)CCOC2)C1	1902545808	JEIXUJFDCIYCBP-VHSXEESVSA-N	229.085	-0.923	50	10	BBGE	
CC1(CO)CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908357515	HNHPPQCNCBMCFD-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1CC(O)C1	1914572742	FFVXLSVHFVYOTE-AMDVSUOASA-N	215.297	-0.544	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C1CC(O)C1	1914601858	YCAVSBJDWIZADK-RTBKNWGFSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC1(CO)CC1	1915531156	JCHOPAMJOKONEI-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
O=C(CCCl)N(CCO)C1COC1	1915687785	CYNSIYLIBVIHSP-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
COCCNCC(=O)N1CC=C(C#N)CC1	1917045595	YMIULZCQOIWSEJ-UHFFFAOYSA-N	223.276	-0.095	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](O)C1	1927913653	LLXJEQIQYGJTPC-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
O=C(CCCl)N1C[C@]2(CO)C[C@@]2(CO)C1	1928556240	FPKHFVJBPFSOPB-UWVGGRQHSA-N	233.695	-0.181	50	10	BBGE	
CS(=O)(=O)C1CN(C(=O)CCl)C1	1932097892	LPUWECUCAJIQRT-UHFFFAOYSA-N	211.670	-0.519	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)[C@H](C)C(=O)NN	1932221117	IFSPLPIVHYDNMQ-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N1CC(=O)OC(=O)C1	1932302679	BXDACTJNDALULB-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCO1	1941074237	QBSHKVVPZYOYPC-DCAQKATOSA-N	241.335	-0.031	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941086065	GTDWKLMDCRUJAD-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@]1(C)CCCN(CCOCC(=O)NN)C1	1941784707	SHOYOMRBTUGWSE-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNCCO	1944216345	UYLNHIRUUWLDTK-MAUMQABQSA-N	240.259	-0.878	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1C[C@H]1CCl	1955090463	JEQJJDBKLKWZPO-WDSKDSINSA-N	215.644	-0.583	50	10	BBGE	
C#CCN1CCN(C[C@H](O)CCl)C1=O	1956773601	FQEXIXKXTKIIER-MRVPVSSYSA-N	216.668	-0.043	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C(=O)NN)CCS1	1958516246	ZWTOXFXBJSJEPB-BQBZGAKWSA-N	231.321	-0.376	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1[C@@H](C(=O)O)C1(C)C	1958817298	PWPVCUHBQWGCKE-NTSWFWBYSA-N	215.253	-0.129	50	10	BBGE	
CC[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1958870807	SAJLNSASCSMDGC-WDSKDSINSA-N	217.030	-0.925	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]2CC[C@H]1O2	1960796122	BAKGGTXKJXZHDW-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
CCCOCc1nn(C)cc1C(=O)NN	1961178218	NRGZVPVOBGJXTQ-UHFFFAOYSA-N	212.253	-0.050	50	10	BBGE	
CC(C)(F)[C@@](C)(F)CNC(=O)C(=O)NN	1961811080	JACDSEOKNMXIOY-QMMMGPOBSA-N	223.223	-0.431	50	10	BBGE	
OB(O)c1cnc(N2CC(C(F)(F)F)C2)nc1	1962721006	AQRBWDIDEDNTOD-UHFFFAOYSA-N	246.985	-0.845	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@]2(CCCOC2)C1	1975213827	GJKCDBCGNDKVMK-VXNVDRBHSA-N	215.253	-0.503	50	10	BBGE	
Cn1nnc(CN2C[C@H](Cl)[C@@H]3COC[C@H]32)n1	1975949668	DHKCEROSWBCKAO-BIIVOSGPSA-N	243.698	-0.352	50	10	BBGE	
CC(C)N1CC[C@H](N(C)[C@H](C)C(=O)NN)C1	1976575915	LDMYWKRYDXMVCX-ZJUUUORDSA-N	228.340	-0.221	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCc2occc21	1976757479	FFXXVDFPYDMTOO-SSDOTTSWSA-N	223.232	-0.237	50	10	BBGE	
CCC(C)(C)C(=O)N=c1nc(B(O)O)[nH]s1	1979357541	XSPIDOXMLJGUEW-UHFFFAOYSA-N	243.097	-0.986	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CCCCC1	1980795783	PJNIJFHJJLATQS-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CN(CC(F)(F)F)c1ncccc1B(O)O	1981423354	CHHKFGLGQCZPJM-UHFFFAOYSA-N	233.986	-0.240	50	10	BBGE	
Cn1ncnc1Sc1ccc(B(O)O)cn1	1981454481	KIGJHAYBCHEQMX-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
OB(O)c1csc(N2CC3(CCOC3)C2)n1	1981472216	OPTKMHLJZCFQLY-UHFFFAOYSA-N	240.093	-0.950	50	10	BBGE	
Cc1nc(O[C@H]2CC2(F)F)ncc1B(O)O	1985885236	VWCWRWFRIOZTBF-LURJTMIESA-N	229.979	-0.749	50	10	BBGE	
C[C@@H](CN1CC[C@H](C2(O)CC2)C1)C(=O)NN	1987339711	CAOWJSAXABRXKU-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@@H]1C1CC1	1987390465	CKBNPLSJUDHSKX-ZOFUNIGCSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@@H]1C1CC1)C(=O)NN	1987391685	PKLMFWINQCHURI-QNSHHTMESA-N	227.308	-0.542	50	10	BBGE	
CC(C)CN(C[C@@H](C)C(=O)NN)C1COC1	1990127397	LNQBEYUAKLXVKX-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1ccn(CCC[C@H]2CC2(F)F)n1	1991012717	XHKYHYBLOGSMDR-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C(F)(F)C12CC2	1991331753	PKTNLBWVUFMVKC-LURJTMIESA-N	231.007	-0.284	50	10	BBGE	
C[C@@]1(CO)CNCCN1C(=O)C=CC(=O)Cl	1991655832	AFKSYHHRROFFDG-JTQLQIEISA-N	246.694	-0.509	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@H]2C2CCC2)n1	1992933275	CXGJZYDROJLYLG-NXEZZACHSA-N	220.081	-0.001	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]1C1CCOCC1	1992962885	VMYLOOZROQMZDM-UWVGGRQHSA-N	228.292	-0.338	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@@H]2C[C@H]21	1996253843	MUZUAGBEUJLNRI-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
COCc1nn(C)cc1N1CC(=O)OC(=O)C1	1997105466	MTWMBWIKYPJLCP-UHFFFAOYSA-N	239.231	-0.544	50	10	BBGE	
Cc1noc(CN(C)C[C@H]2C[C@H]2C(=O)NN)n1	1997733002	FQULBHVUSURVKI-HTQZYQBOSA-N	239.279	-0.564	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999846795	KDWXBTYFDUOLBC-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
CCN([C@H]1CCNC1=O)[C@@H](C(=O)NN)C(C)C	2004315007	VTJOOLBDBIJQNU-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]([C@@H]2CCCO2)C1	2004395847	GPSDWROOCJNVRA-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
CN(Cc1cnn(C)n1)CC(C)(C)C(=O)NN	2004800758	MPNRSROTYQQHOT-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)c1ccc(B(O)O)cn1	2004919396	YLYRAHMUAGSXIP-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnccc1OCC1CCOCC1	2004951763	OLHHCMMPCSRGQH-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)C[C@H]2C1	2005993020	YSJSXGHKCQGSGA-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(F)CCC[C@@]2(CO)C1	2007743607	KJWWKFZNCPFHOD-DVVUODLYSA-N	245.298	-0.449	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)[C@H]2C=C[C@H]1C2	2008871493	VBAVMLCECHXOBK-BQBZGAKWSA-N	245.229	-0.211	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H](CF)C1	2014925924	HEBKIJPLCKZXNM-SSDOTTSWSA-N	242.034	-0.304	50	10	BBGE	
NNC(=O)N1CC(N2CCN(C3CC3)CC2)C1	2016153211	GFTOEUPLIYFMEB-UHFFFAOYSA-N	239.323	-0.966	50	10	BBGE	
Cn1ccc(C(=O)N[C@@H]2CCC=C2B(O)O)n1	2020063633	YDZPRTFHHGIDPZ-MRVPVSSYSA-N	235.052	-0.749	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCC[C@H]1OCC2	2021157470	MUENDRWGEHEHRA-KOLCDFICSA-N	237.064	-0.923	50	10	BBGE	
CCC[C@H]1C[C@H]1COc1ncc(B(O)O)cn1	2022580239	UFVGXDZVGGADPA-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1ccoc1C(=O)NN	2023141094	HGBHZANAJLQXGX-QMMMGPOBSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1ccc(B(O)O)cn1	2025752883	NJCPAILUANAIEU-LDYMZIIASA-N	238.071	-0.054	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1C#N	2041347956	GOKKWSRRVQTCPH-RKDXNWHRSA-N	246.270	-0.346	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)c1ccncc1B(O)O	2052494390	LRNLSXDGOJFSJY-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
Cc1cnc(-n2cnc(C(C)C)n2)c(B(O)O)c1	2052596230	FSAYXYWCPXPXNR-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
C[C@@H](NC(=O)C1COC1)c1ccc(B(O)O)cc1	2056444697	QQGKCKQRTWYXQR-MRVPVSSYSA-N	249.075	-0.810	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2COC[C@@H]21	2077844201	MCAZZHVQKAFGHX-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccccc1B(O)O	2079009509	IQNLMCSSANKGEN-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2079011119	ZFUGHMWWMSJSLL-ZJUUUORDSA-N	245.087	-0.152	50	10	BBGE	
OB(O)c1csnc1CN1CC2(F)CC1C2	2211138774	ZRQNFZOKVQYRHH-UHFFFAOYSA-N	242.084	-0.491	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2211377632	MXZLRMUNLJJQON-DSYKOEDSSA-N	229.041	-0.925	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2212604731	RUNUXCOHKGXQJF-YUMQZZPRSA-N	224.069	-0.403	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1CN(C)C2	2213954924	OBWRORCTYDECPI-ZRUFSTJUSA-N	240.351	-0.221	50	10	BBGE	
CCn1cc(Nc2ncc(B(O)O)cn2)cn1	2217172527	KWSOPLACZBZQCO-UHFFFAOYSA-N	233.040	-0.884	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1nccc(B(O)O)c1F	2217180285	RVQPHULXWDHOHP-YFKPBYRVSA-N	248.013	-0.010	50	10	BBGE	
Cc1cnc(NC(C)(C)[C@H](C)O)cc1B(O)O	2217182300	BTISRNASYLVXAQ-QMMMGPOBSA-N	238.096	-0.359	50	10	BBGE	
CC[C@@H](CCCN)Oc1ncccc1B(O)O	2217186380	JPPSVTQROQWIOC-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
CC(C)NCCCOc1cc(B(O)O)ccn1	2217191649	CYIRQWBYSOQILR-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
NCC1(CNc2cc(B(O)O)ccn2)CCC1	2217198542	CJIJEUWPCULEAU-UHFFFAOYSA-N	235.096	-0.698	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]3NCC[C@@H]32)cc1B(O)O	2223639939	HYUZSLQFUZCXBO-INTQDDNPSA-N	248.091	-0.801	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)[C@H](C)[C@@H]1N	2223669777	OJLBHXWDYCHCMY-FXPVBKGRSA-N	249.123	-0.677	50	10	BBGE	
OB(O)c1cnc(NC[C@@]23CC[C@@H](CO2)C3)nc1	2223670169	UHDNDMOKKRMITP-KCJUWKMLSA-N	249.079	-0.863	50	10	BBGE	
C[C@@]12CC[C@@](Nc3ncccc3B(O)O)(CO1)C2	2223671344	KGTCQAQDRYITOT-RYUDHWBXSA-N	248.091	-0.115	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccsc1B(O)O	2243358417	GULLQAOPZKZWBQ-ZETCQYMHSA-N	237.089	-0.124	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)cn1C	2243369253	RGQLRQRAKWBTMF-UHFFFAOYSA-N	222.053	-0.989	50	10	BBGE	
O=C(NC1CCOCC1)[C@H]1C[C@H](B(O)O)C1	2243391574	LZPGLRRFRVRKSB-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1CCCC[C@H]1CNC(=O)C#CB(O)O	2243401931	ZETTXHJVHUUTQD-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
C[C@@H]1CN(C(=O)c2sccc2B(O)O)[C@@H]1C	2243404480	OWXCQQKJGPHZFN-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ncsc1B(O)O	2243408401	MNBXTYUTHHASDS-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
O=C(NCC(F)(F)CO)C1(B(O)O)CCC1	2243410990	LYQQRWXCQQWDBS-UHFFFAOYSA-N	237.011	-0.873	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(C)CCF)s1	2243426921	NQGBWAFZWXKOGF-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@@H]2C[C@H]21)B(O)O	2243432471	AKHFEVZEXSXAML-RKDXNWHRSA-N	245.109	-0.631	50	10	BBGE	
C=CCN(OC)c1nccc(C)c1B(O)O	2244271806	ITPDNEFQIUOUIB-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
OB(O)c1ccccc1OCc1ncco1	2245257934	QPPBVOXZZUSSMD-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
O=C(NCC=CCl)c1ccccc1B(O)O	2246254683	ZEULFGCRBXYPGG-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
COC[C@H](OCc1cccnc1)C(=O)NN	2246327368	BLOOTRVJVUPFSH-VIFPVBQESA-N	225.248	-0.397	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)C1(B(O)O)CCC1	2247733713	PEFWHRZTELMZJU-VIFPVBQESA-N	243.112	-0.236	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247740654	NPYGXOBNXGWREU-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
CO[C@H]1CCC[C@H](N(C)C(=O)C#CB(O)O)C1	2247746532	AINJMJOYHWUITR-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CCc1nc(CNC(=O)C2(B(O)O)CC2)co1	2247757629	QXUIWKYIBQPISL-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2247757932	YKWVACDTCNIIDA-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
N#Cc1cc(NC(=O)C2(B(O)O)CC2)ncn1	2247758670	VUYRENRGJXICEZ-UHFFFAOYSA-N	232.008	-0.706	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@H]1C	2247799138	AALQEZTZEUZREM-AUXWQGHOSA-N	241.096	-0.125	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](O)C2(CC2)C1	2247800960	VLAMLNNDIGUCQW-HACHORDNSA-N	239.080	-0.777	50	10	BBGE	
Cc1ncn(C)c1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247860255	UIUBVCGTCPKOAH-SFYZADRCSA-N	237.068	-0.792	50	10	BBGE	
O=C(N1C[C@H]2CC[C@@]1(CO)C2)C1(B(O)O)CC1	2247874270	KXJKPNVFRVEAPZ-WPRPVWTQSA-N	239.080	-0.633	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C(=O)C1(B(O)O)CC1	2247874852	QDYIRNVROLYIKG-DTWKUNHWSA-N	238.096	-0.702	50	10	BBGE	
O=C(N1CC(N2CCC2)C1)C1(B(O)O)CCC1	2247880237	YIIWOLBGDPBCBP-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
C#C[C@]1(C)COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247886356	AWTWDJBPCVVSAG-IQJOONFLSA-N	237.064	-0.900	50	10	BBGE	
NC(=O)CCCCNC(=O)C1CC(B(O)O)C1	2247893849	ZIEZWMNAMRXTBC-UHFFFAOYSA-N	242.084	-0.989	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](O)C(F)(F)C1	2247911341	VLFUAGMATWBJNT-KPGICGJXSA-N	249.022	-0.922	50	10	BBGE	
C[C@](NC(=O)[C@H]1C[C@H]1B(O)O)(C(=O)O)C1CC1	2248585518	MYFDSQVSYBTBLH-NYNCVSEMSA-N	241.052	-0.781	50	10	BBGE	
CC(C)CNC(=O)CN1CCC(B(O)O)CC1	2249355679	KGXHFVFNYLSNFM-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
CCC1(C)CN(C(=O)c2cc(B(O)O)co2)C1	2249417076	AIFOVXZGAYLZHP-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1COC2(COC2)C1)C(=O)NN	2249637630	VIQYEKQSGRCYPK-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
C[C@H]1CCCCN1C(=O)NCCC#CB(O)O	2249987027	XUDJIBKXWHMTIE-JTQLQIEISA-N	238.096	-0.024	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ncccc1B(O)O)C2	2255523002	QBCZNSBGYPUSNN-QPUJVOFHSA-N	246.075	-0.757	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2c[nH]nc2B(O)O)C1	2255548690	CPHRVSKZOPFNIY-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ncc(C)cc1B(O)O	2255555952	IWSJUVZMPKUYIO-VIFPVBQESA-N	246.075	-0.624	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1nccc(C)c1B(O)O	2255575829	WFQNHDCCWHFXIF-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1ccc(B(O)O)o1	2255678834	DRKZATFFDVGGIS-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ncccc1B(O)O	2255711462	ZSXGMESBOUTXMP-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255714456	QGJGQQXGDLZBTB-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CC=CCO1	2256605981	PEEVKPAYWKGPMV-NSHDSACASA-N	247.059	-0.350	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)[C@@H]1C[C@@H]1C	2257485280	GCDMZHFSOBXIDO-OIBJUYFYSA-N	248.091	-0.450	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1ccnnc1	2258126641	WJZQWZAAPNIRDB-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)co1	2258134949	YLHIQEZNUHRXFO-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2298107561	BCZNDFWYSJBSTP-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376293	QCALSOZGIFJLCJ-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298377150	GLSJMQRVMAFHPA-GRDBIXFFSA-N	239.080	-0.515	50	10	BBGE	
C#CCCCOc1ccc(C=O)c(B(O)O)c1	2301421237	RKTMTONWCDNQMM-UHFFFAOYSA-N	232.044	-0.029	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2CC1(CO)C2	2302026277	ZEYVUUZFBOOBSA-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)N2CC[C@H](B(O)O)C2)CO1	2303109870	VODRDNAZYNDLTI-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](CN=c1cc(B(O)O)c(F)c[nH]1)C1CC1	2303834402	FLILWZLASCOCRS-ZETCQYMHSA-N	238.071	-0.220	50	10	BBGE	
N#CC1(O)CCN([C@]2(C(=O)O)CC[C@@H]2N)CC1	2305449258	XZWMAPNMZIIMPH-GZMMTYOYSA-N	239.275	-0.719	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2312612123	AICUYJNXMFGFIP-INTQDDNPSA-N	247.107	-0.923	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Nc1cc(B(O)O)ccn1)CO2	2315939079	QGTOWVKUSPDGGC-PTOFAABTSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1ccc(B(O)O)cn1	2316955776	MCMNULRGBNCZHZ-HTQZYQBOSA-N	248.091	-0.464	50	10	BBGE	
N[C@@H]1CCC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317312298	FACLRWDTAHVLIR-VXGBXAGGSA-N	249.075	-0.563	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	82468595	VDHVTMQWGMUMKS-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CC(C)N(CC(N)=O)[C@@H](C)[C@@H](C)C(=O)NN	86313576	NQRCGUWSUSYERB-SFYZADRCSA-N	230.312	-0.803	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1ncccc1=O	110601837	DSGCUFZNXTYWFU-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@](C)(O)C1	159498269	YHYXDAUEADLJQK-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
CC(C)(C)CC(=O)NNC(=O)Cn1cnnn1	176693213	NRWWVHZOWBLCGE-UHFFFAOYSA-N	240.267	-0.743	50	10	BBGE	
COCc1cc(OC)c(B(O)O)c(OC)c1	195878960	NLASEIXUHDPXQY-UHFFFAOYSA-N	226.037	-0.470	50	10	BBGE	
O=C1NCc2cc(Cl)c(B(O)O)cc21	199808515	XEMVLDSJRDFKJH-UHFFFAOYSA-N	211.413	-0.737	50	10	BBGE	
COCCN([C@@H](C)CC(=O)NN)[C@H](C)COC	216333682	XNDSXSDNXQABER-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CC(=O)NNS(=O)(=O)CCCl	220236163	DKNDYFDFFCDJSP-UHFFFAOYSA-N	200.647	-0.804	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](N(C)C)C1	227699281	AZYBFILEFNAARM-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC(=O)c1cnn2cccc(C(=O)NN)c12	259838314	KMMSSBVVOLPEDR-UHFFFAOYSA-N	234.215	-0.276	50	10	BBGE	
CNC(=S)NNC(=O)[C@H](C)SC	306485301	RKSWKDRDJYIWQQ-BYPYZUCNSA-N	207.324	-0.137	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(N(C)C)C1	382348997	OQZVRDJXQBMVSW-HTQZYQBOSA-N	214.313	-0.753	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](N2CCCC2)C1	382620551	YSDGMXSUVRESRJ-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)c1ccc(F)c(N)c1[N+](=O)[O-]	382683742	CXKDMBKGUHZMFV-UHFFFAOYSA-N	214.156	-0.080	50	10	BBGE	
CCN1C(=O)COc2cc(B(O)O)ccc21	382743011	WDRBUAHKQHESAU-UHFFFAOYSA-N	221.021	-0.888	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)[C@@H]1[C@H]2COC[C@H]21	385897721	FHVVJPQAAOOCJO-FKSUSPILSA-N	247.678	-0.225	50	10	BBGE	
CS[C@@H](C)CNC(=O)NNC(N)=S	388267700	DFGBQTPENDSQJN-BYPYZUCNSA-N	222.339	-0.215	50	10	BBGE	
O=C1NCCCc2cc(B(O)O)ccc21	389690295	FEDZLNAJZHLBTN-UHFFFAOYSA-N	205.022	-0.958	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H](CN)C1	395794071	ALQFHLIBZREYIN-DTWKUNHWSA-N	228.340	-0.328	50	10	BBGE	
NNc1c(OC(F)F)cccc1B(O)O	396110982	QFIFUNABZZKBST-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
OB(O)c1cccc(OCCc2cnccn2)c1	402607982	VJNPXENFYZXBCJ-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C\C1CC1	493824629	PGYPNJGYPRNPSD-WAYWQWQTSA-N	212.249	-0.129	50	10	BBGE	
NNC(=O)C[S@@](=O)Cc1ccccc1	526848854	OYVOTZHSZXHVDR-AWEZNQCLSA-N	212.274	-0.075	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCOC[C@@H]1Cl	575467124	AMPSBIZFEZUDEN-WDSKDSINSA-N	213.686	-0.068	50	10	BBGE	
CC(C)N(CC(=O)NN)CC(C)(C)O	689905991	NFJAFMHQODYEAK-UHFFFAOYSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CN1CCC(C#N)CC1)C(=O)NN	693911733	KKPVHTKCROXZSG-MRVPVSSYSA-N	210.281	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N2CCCC2)C1	697798136	FYIAZCPLZDJUKQ-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CO[C@](C)(CCl)CNC(=O)c1nnn(C)n1	702530604	BMMNNBWDHJBELC-MRVPVSSYSA-N	247.686	-0.416	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCCN1CCC1	703412984	ZANJEBYAJLGGEQ-NXEZZACHSA-N	238.287	-0.001	50	10	BBGE	
NNC(=O)c1cc(CN2CC(C(F)F)C2)on1	706488178	RJLSIMNSFDPXIX-UHFFFAOYSA-N	246.217	-0.025	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC(C)(C)[C@H]1C	708260088	IHJBXJNDKCVXGC-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
CC(C)NC(=O)Cc1cccc(B(O)O)c1	716784395	POICRNBMYJZLBT-UHFFFAOYSA-N	221.065	-0.567	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@@H](O2)C1=O	719514115	IAPIXTUAJRGXDE-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
C[C@@H](O)C1CN(Cc2ccc(C(=O)NN)o2)C1	719806628	JACMSDOYBZLGLE-SSDOTTSWSA-N	239.275	-0.304	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cccn(C)c1=O	729511305	DNJXWABCMAJZRK-UHFFFAOYSA-N	237.259	-0.198	50	10	BBGE	
CCOCC(=O)NN[C@@H](C(=O)OC)C1CC1	781591296	BUNSYQLNIZBCNI-SECBINFHSA-N	230.264	-0.405	50	10	BBGE	
CNC(=O)CC(=O)NNc1nccnc1OC	789909229	HUFNIVQFSJEKEF-UHFFFAOYSA-N	239.235	-0.936	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)C(C)(C)C)NC(N)=O	847345083	CEYBMHJWGFJHGG-ZCFIWIBFSA-N	244.295	-0.373	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C\Cn1cncn1	1292131275	RWQCLLXVAHDSQS-ARJAWSKDSA-N	238.251	-0.815	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H](C)CCN(C)C	1299011868	YKJOBWBXILKRIV-NXEZZACHSA-N	231.340	-0.082	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnn[nH]2)n1	1558976672	JNCPNJHSPDZPEJ-UHFFFAOYSA-N	207.197	-0.705	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)no1	1632704249	CAIDIVQCTIDXEH-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1CCN1CC	1640011561	VXMOSYJPPWGBBG-VIFPVBQESA-N	215.297	-0.574	50	10	BBGE	
O=C(NC[C@H](O)CO)[C@@H]1C[C@H]1Br	1877337035	SLUIBFJRBJYPPR-KVQBGUIXSA-N	238.081	-0.761	50	10	BBGE	
N=c1nn[nH]n1C[C@H]1C[C@@H]1Br	1880436012	JBFWINIMDLLQOQ-DMTCNVIQSA-N	218.058	-0.131	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@H]1Cl	1883645243	NBIUCVPYWOKFQR-TVNFTVLESA-N	200.669	-0.052	50	10	BBGE	
C[C@@H]1CN(C(=O)F)C[C@@H]1CS(N)(=O)=O	1887172885	FMKFBXPKPYQBFK-PHDIDXHHSA-N	224.257	-0.068	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1894650345	AQDQOKQMDPNBCW-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894667174	UPCRDIJGRMTTJW-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccc(B(O)O)cc1	1897403218	ZHBFFYKRTKLKST-DTWKUNHWSA-N	223.012	-0.793	50	10	BBGE	
CC[C@H]1C[C@@]1(N)C(=O)NN(C)S(=O)(=O)CC	1901378250	YKLKBNFKOYSNBC-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@H](C)CCCC(=O)NN	1901766631	YNEOYZQKHXSQOE-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CCOCC12CC(C(=O)NN)(CO1)C2	1902146357	VVAWCZKCFAOGNW-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	1902364982	KQMOCXASTAXSAP-SNVBAGLBSA-N	217.033	-0.119	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914260606	CDHWHEHSQXLTLQ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CCN(C1COC1)[C@@H](C(=O)NN)C(C)C	1915659333	YLBJPKKTPWUXCB-SECBINFHSA-N	215.297	-0.278	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H](N)C(=O)O)CC1	1917050825	OZEJEWPQMFXFSP-MRVPVSSYSA-N	223.232	-0.529	50	10	BBGE	
CCOC(=O)CSC[C@@H]1C[C@@H]1C(=O)NN	1927918382	RTFHTLPNIHAAFZ-BQBZGAKWSA-N	232.305	-0.091	50	10	BBGE	
CN(C[C@H](Cl)C#N)C1CS(=O)(=O)C1	1932008497	CPHSNWLOAJCZQU-ZCFIWIBFSA-N	222.697	-0.154	50	10	BBGE	
NNC(=O)CCCN1CC[C@@]2(CCO2)C1	1932812857	UGTZBOXVOJBBAL-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
CC(=O)c1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1936081959	BHWIKSZKCPUHEH-IONNQARKSA-N	222.248	-0.288	50	10	BBGE	
C[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936085278	PZUDITYXXQKIAH-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
COCCOCCOC[C@@H]1C[C@H]1C(=O)NN	1936093335	DADAGHMIYPYDAK-DTWKUNHWSA-N	232.280	-0.708	50	10	BBGE	
CN1CC(N(C)CCC(C)(C)C(=O)NN)C1	1936506469	XDZZNJXGWRTHII-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC(O)C2)C1	1937040083	CIXQJNJMPCVEJE-VIFPVBQESA-N	227.308	-0.398	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H]1COCCO1	1940287726	OSKDBYOCONTEMF-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCCn1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941088067	OQOQXZQAQNBANP-DTWKUNHWSA-N	238.291	-0.314	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C[C@@H]1C[C@H]1C(=O)NN	1941090005	YDOAEVKCISPKQN-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCNC(=O)CC1	1941631332	PESLNLBQNZNHMY-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@](C)(C(=O)O)C1	1943974747	UFXXPVJBSQZDEO-XVKPBYJWSA-N	245.279	-0.216	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CC1	1945882149	COMXGKVOXCFCJO-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)CCCO[C@H]1CCNC(=O)C(=O)NN	1949099442	MOQFTROUEKFTNJ-QMMMGPOBSA-N	243.307	-0.312	50	10	BBGE	
C[C@@H]1[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1(F)F	1951322221	YMNRWRVCCDLDCJ-DSYKOEDSSA-N	233.023	-0.037	50	10	BBGE	
C[S@@](=O)C1CN(C[C@H](O)CCl)C1	1953700372	LRNUQPNQJOPSRI-SREIQFSDSA-N	211.714	-0.351	50	10	BBGE	
O=C1CN(C(=O)CCl)[C@H]2CC[C@H]2N1	1953945116	AMLSYMSLHDFCHY-RITPCOANSA-N	202.641	-0.285	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H](O)C[C@@H]1O	1954819847	XYIYFUUBRRYMTE-YTLHQDLWSA-N	207.657	-0.386	50	10	BBGE	
O=C1NC[C@H]2CN(CCCl)CCN12	1954821695	CMHOLQAJKQAASY-ZETCQYMHSA-N	203.673	-0.065	50	10	BBGE	
CC(C)(C)N1CCC(N)(B(O)O)CC1	1955296362	SDZBXQBSTXXNBG-UHFFFAOYSA-N	200.091	-0.410	50	10	BBGE	
CC[C@H](O)CN(CC)[C@@H](C)CC(=O)NN	1959510554	DYLUBLPUSPGJPC-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)N1C[C@H](CO)OC2(CCC2)C1	1960394242	BWPYDPLDYPPKNS-SSDOTTSWSA-N	215.253	-0.815	50	10	BBGE	
CCCN(CC)c1ccc(B(O)O)cn1	1961692660	VHGDQKOLXGPDEB-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(F)(F)C1	1975103078	DZTYJAHUEIRLIE-UHFFFAOYSA-N	229.177	-0.047	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CN(C)CCOCC(=O)NN	1977237738	OVSCCIUKKBQUCE-MYJAWHEDSA-N	229.324	-0.173	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H](C)C1CC1	1978614703	PKFHGWNEZVKMIG-WPRPVWTQSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H](CF)C1	1981247922	JBHQHEXFUMQDPK-XHNCKOQMSA-N	233.287	-0.329	50	10	BBGE	
Cc1cnc(N(C)C2CSC2)c(B(O)O)c1	1981470876	FMXMSEGIKIRAFF-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@H](Cl)C#N	1982215743	INSYGFIZQOXYDH-BDAKNGLRSA-N	244.726	-0.521	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1COC2CC1C2	1986052791	DHFFMYGHFMXLCG-AUXWQGHOSA-N	227.308	-0.136	50	10	BBGE	
COC12CC(C1)N(CC(C)(C)C(=O)NN)C2	1986832569	ZRCSIDOYAFENFY-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OCCOC1(C)C	1987308258	PNBPJMMVZABJRA-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cccc(B(O)O)c1	1987775086	ZERAXIFWLATOHM-KWQFWETISA-N	222.049	-0.220	50	10	BBGE	
Cn1nnc(CN[C@H]2CCOC[C@@H]2CCl)n1	1989876166	HQYIRXJQOLEOAI-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
Cc1cccnc1C(=O)NCC=CB(O)O	1991329497	IYXFREAMTUUHHD-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
CC[C@@H](C)S(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991331793	PSRZSQSXVHLQKL-VXNVDRBHSA-N	247.125	-0.195	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2CCC=C2B(O)O)C[C@@H]1F	1991334485	WJKKYMZPBPVXLV-WEDXCCLWSA-N	227.044	-0.049	50	10	BBGE	
NNC(=O)CCCO[C@H]1CN2CCC1CC2	1992113308	JBVLLVKGDXUCCT-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
C=C(CN1CCOC[C@@H](C2CC2)C1)B(O)O	1992149189	VSUHHFRWRLENBJ-NSHDSACASA-N	225.097	-0.087	50	10	BBGE	
C=C(CN(C)C[C@@H]1CCCN(C)C1)B(O)O	1992152653	HIQBWVRLLRNYIU-LLVKDONJSA-N	226.129	-0.172	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ncc[nH]1	1992313868	VFGXEIKPSSPRDK-SSDOTTSWSA-N	221.025	-0.760	50	10	BBGE	
O=C1CN(C[C@@H]2CO[C@H]3COC[C@H]23)CC(=O)O1	1996354479	BPRLRLSDAKDNFD-HLTSFMKQSA-N	241.243	-0.967	50	10	BBGE	
CCCc1noc(CN(C)[C@@H](C)C(=O)NN)n1	1997740745	RNMWYJTUPONHDG-ZETCQYMHSA-N	241.295	-0.168	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2CC[C@H](C1)C2O	2002476643	BSLAYLJMDKHJQO-JRALQKAMSA-N	239.319	-0.685	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)CCC(=O)NN)o1	2004409691	NJDGMUMHHAGBDU-ZETCQYMHSA-N	241.295	-0.032	50	10	BBGE	
CC[C@]1(C)CCN(c2ncc(B(O)O)cn2)C1	2004912637	WJXKFHBGFJSYMO-LLVKDONJSA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2[C@H](C1)C2(F)F	2004933919	BDUOVRUHGRWEKE-KNVOCYPGSA-N	240.018	-0.537	50	10	BBGE	
CCc1nc(C)cn1-c1ncccc1B(O)O	2005004867	LNHCFOCSWAMGFT-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CCOC1(CO)CN([C@@H](C)[C@H](C)C(=O)NN)C1	2005154492	XKHLAOBCLKHRJP-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
Cc1cc(OCCCN(C)C)ncc1B(O)O	2007020819	ADQQPSZYRXGBJW-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CNC[C@H]2F)CC1	2008067228	KTSQSFBIGMYYJE-DTWKUNHWSA-N	241.266	-0.579	50	10	BBGE	
CC(C)COCCn1cc(B(O)O)ccc1=O	2008840040	GJWVDVQFLUMPLK-UHFFFAOYSA-N	239.080	-0.799	50	10	BBGE	
COC[C@]1(F)CCN(CCOCC(=O)NN)C1	2009641509	FSIPXFAFYSMLIL-JTQLQIEISA-N	249.286	-0.947	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C(C)(C)C(=O)N1	2013377329	WTYRUWFMKCISQZ-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1C1(O)CC1	2013927111	NIDGPNUFMSHZDX-AEJSXWLSSA-N	241.335	-0.010	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)CCOCC(=O)NN)C1	2014040875	YFWOWHPKKUORNM-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CCCCCC(=O)NN	2014231057	BTWXSAZDSJFDQF-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CN1C[C@@H](N(C)CCCCC(=O)NN)CC1=O	2014835388	YZLRKHXKZWBANK-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@H]2CC[C@H]21	2015990444	OFDPHQBLXZEXJF-MFDAYCCISA-N	241.335	-0.154	50	10	BBGE	
CC(=O)NNC(=O)c1n[nH]c2ccc(N)cc12	2016967632	HWFGEGOXKXTQSU-UHFFFAOYSA-N	233.231	-0.074	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC=C(F)C1	2022195759	AHXWKVOTUWXBDQ-UHFFFAOYSA-N	235.023	-0.324	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2022196146	HYUURIGRHXHONN-VIFPVBQESA-N	233.076	-0.152	50	10	BBGE	
CCC1CC(C(=O)Nc2ncc(B(O)O)cn2)C1	2040764757	HNRPKXYXMVNIGT-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1C#N	2041347955	GOKKWSRRVQTCPH-IUCAKERBSA-N	246.270	-0.346	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@]2(CCOC2)C1	2052491965	NEBKBBTWRHFCBH-LBPRGKRZSA-N	248.091	-0.622	50	10	BBGE	
NNC(=O)C(=O)N1Cc2ccccc2[C@H](CO)C1	2056057368	NWSJVXNQIJEUQB-VIFPVBQESA-N	249.270	-0.905	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2c1ccncc1B(O)O	2058058934	GPHVTFIHTYTDSM-XXILOJSOSA-N	248.091	-0.625	50	10	BBGE	
CCOc1c(B(O)O)ccc([N+](=O)[O-])c1C=O	2060147224	BPXLTPGASUREBJ-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
O=C(O)c1cccc2cc(B(O)O)[nH]c12	2070386772	UJIIFFGDRFNQAG-UHFFFAOYSA-N	204.978	-0.454	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)C[C@@H](F)C1	2210694630	IKPZDTYEOAEYAM-PHDIDXHHSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC[C@@H]1CO	2211839492	VKHKSMHQLFUCMP-BBBLOLIVSA-N	227.308	-0.541	50	10	BBGE	
C[C@@]1(O)CON(CC2(C(=O)NN)CCC2)C1	2212250761	UXGWISPRAHCQOC-VIFPVBQESA-N	229.280	-0.855	50	10	BBGE	
OB(O)c1ccnc(Sc2ccncn2)c1	2212600571	WPZVYVINMCCGOE-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C=CCN(CCC)c1ncc(B(O)O)cn1	2212603272	NPBDYGYKTDQGJY-UHFFFAOYSA-N	221.069	-0.441	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H](C)F)cc1B(O)O	2212605888	LLALFXXGUNPIBP-QMMMGPOBSA-N	226.060	-0.348	50	10	BBGE	
CCCNCCOc1ccc(B(O)O)cn1	2212609199	OCEIFZSZLIQSAP-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1(CO)CC1	2214606188	TXPPIJJROVBQLF-UHFFFAOYSA-N	235.092	-0.677	50	10	BBGE	
Cc1cnn(C[C@H]2CC[C@H]2C(=O)NN)c(=O)c1	2215770622	CSMZTFOGLURZOY-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
CC(C)C[C@@H](N)CNc1ncccc1B(O)O	2217178975	DERHGNKAAYUILT-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
C#CC1CCN(c2cc(B(O)O)ccn2)CC1	2217180877	LOEDBZIFGAAZLB-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
Cc1cnc(NN2CCCCC2)cc1B(O)O	2217181061	XUZBVRDRLUDSOF-UHFFFAOYSA-N	235.096	-0.117	50	10	BBGE	
CN[C@H](C)C(C)(C)Oc1ccc(B(O)O)cn1	2217193420	UOTHRZZYLBYZPU-MRVPVSSYSA-N	238.096	-0.473	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@]3(CCN3)C2)c1	2220053215	BRCQDVZCGOUKRT-ZDUSSCGKSA-N	246.119	-0.696	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CC[C@@H]3O)C2)c1	2220057506	HQUHDVSQERMXMJ-LBPRGKRZSA-N	247.103	-0.677	50	10	BBGE	
NCC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220070831	FUVQUDPYEFPKLX-NSHDSACASA-N	248.135	-0.463	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CC[C@H]1NC2	2223644334	HWQHPNMQWBYASV-IEBDPFPHSA-N	247.107	-0.686	50	10	BBGE	
Cc1ccc(Nc2ncc(B(O)O)cn2)c(C)n1	2223679227	MUUWZLZPZFGEHV-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
COc1ccnc(Cn2cc(B(O)O)cn2)c1C	2223813682	ATVLPCJVLZDKEB-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
CN(O)C(=O)c1scc(B(O)O)c1Cl	2241475476	YJXLOOYDXUYEAA-UHFFFAOYSA-N	235.457	-0.458	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)C#CB(O)O	2241478917	NOVMCKLQKOYXBN-RXMQYKEDSA-N	204.969	-0.886	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C2C[C@@H]3C1[C@@H]3C2	2243356693	LQLCHPHTWXKWHR-ZRFWENAYSA-N	219.049	-0.980	50	10	BBGE	
CS[C@@H]1CCC[C@H]1N(C)C(=O)C#CB(O)O	2243357627	ZGKSFYLQNXSQFF-RKDXNWHRSA-N	241.121	-0.256	50	10	BBGE	
CS[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2243365766	RUYUIKIUDPLQQQ-BQBZGAKWSA-N	245.109	-0.760	50	10	BBGE	
CC(C)N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2243395850	CQQFQLGIAHGDQW-KYZUINATSA-N	229.085	-0.531	50	10	BBGE	
CN(CCCC(F)(F)F)C(=O)C#CB(O)O	2243403990	HHFJOHICVNCZPS-UHFFFAOYSA-N	236.986	-0.197	50	10	BBGE	
CC#CCN(C)C(=O)c1sccc1B(O)O	2243406957	IPKVFJWLXXVMQV-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2CC[C@@H]2C1)B(O)O	2243412605	PZOYWQDOENSECC-RKDXNWHRSA-N	245.109	-0.774	50	10	BBGE	
C#CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2243664352	MCOICZOEQKVXJJ-MRVPVSSYSA-N	217.033	-0.823	50	10	BBGE	
CO[C@H](C)COc1cc(B(O)O)c(Cl)cn1	2245913224	OFKCMDYZECRZTI-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
Cc1coc(NC(=O)c2ccoc2B(O)O)n1	2247740768	PHBOGYSGFAANBQ-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C(=O)C1(B(O)O)CCC1	2247749856	ANHUVBSWILHNQF-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC[C@@H]1CCCOCC1)C1(B(O)O)CC1	2247751144	TYPAFECIAFLDIF-SECBINFHSA-N	241.096	-0.074	50	10	BBGE	
O=C(NC[C@@H]1C[C@@]12CCOC2)C1(B(O)O)CC1	2247751469	YCIDTZRKFAHRDC-WCBMZHEXSA-N	239.080	-0.464	50	10	BBGE	
C=C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2247751562	ZADHUPYSHNTGFJ-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2C[C@H]2C)c1	2247752807	WFCJYMWIBXAGJU-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247761431	VGZGBSMVVMKMOI-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
O=C(NC[C@]12COC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247787089	KTOMTUYFWKOSSY-SDNRWEOFSA-N	239.080	-0.608	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H](C)O1	2247798868	XWBBHIABUKAEEM-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@@H](C)F	2247855332	QQECPNIOVSYREV-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)ccc1OC	2247876476	PUVSPUDXMLPOPH-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
O=C(N1CCC2(COC2)C1)C1(B(O)O)CCC1	2247878422	OGCBYVZVVNIZKA-UHFFFAOYSA-N	239.080	-0.368	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247887419	OCFFCWLUAIMIQC-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H](C)N(C)CCNC(=O)[C@H]1C[C@H]1B(O)O	2247895808	VLVKLZABOOZUHK-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1CO	2247896418	GQYROEDDTIZUGC-AATLWQCWSA-N	241.096	-0.674	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247899782	QBKVWLQCIJPGMA-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCCCC1CNC1)[C@@H]1C[C@H]1B(O)O	2247900039	SLCMGRCGBNRLII-NXEZZACHSA-N	240.112	-0.645	50	10	BBGE	
C[C@@H]1CC[C@H](COc2ncc(B(O)O)cn2)C1	2248000657	JUHFEWKPAXXTCC-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586283	YNNLOGPELDMNIR-BIIVOSGPSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)C1=CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2248587003	KIKDUQBKBCNVRV-YUMQZZPRSA-N	239.036	-0.907	50	10	BBGE	
COC[C@@]1(C)C=CCN1C(=O)C1(B(O)O)CC1	2248696265	XCACTBWKTRGGGN-SNVBAGLBSA-N	239.080	-0.203	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)C	2250575892	VOJOOVAMMQZHHH-CIUDSAMLSA-N	243.112	-0.143	50	10	BBGE	
C=CC1CN(C(=O)c2ccncc2B(O)O)C1	2251661966	LMGIAPZIBCCKLK-UHFFFAOYSA-N	232.048	-0.981	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1cc(B(O)O)c[nH]1	2255470039	XOXQKTXJKQJWME-VIFPVBQESA-N	248.091	-0.267	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@H]1CCO1	2255509342	JUFNORBNAWRKGE-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
Cc1cccc(C(=O)N2CCCCN2)c1B(O)O	2255509928	QIKZQRKDIMWJPO-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCCO1	2255514470	JAEIGZAOQXKRLV-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1n[nH]cc1B(O)O	2255552696	ONWRMSSIXNBVNC-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]32)oc1B(O)O	2255577250	RKUMLQNUGZKQDJ-IWSPIJDZSA-N	249.075	-0.204	50	10	BBGE	
Cc1ncncc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2255768516	OMXLMLFVSBZQSH-UWVGGRQHSA-N	249.079	-0.394	50	10	BBGE	
O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@@H]1B(O)O	2255771877	XYHRQRLMPVPLFB-VGMNWLOBSA-N	249.079	-0.823	50	10	BBGE	
Cc1cnc(C(=O)N2CC=CCC2)c(B(O)O)c1	2255790127	SLEDXHAXGLPXGV-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@H]2CCCN2)cc1B(O)O	2258767600	WHAIHISKBHDEOF-MWLCHTKSSA-N	249.123	-0.378	50	10	BBGE	
O=C(NCC[C@H]1CCO1)c1ccc(B(O)O)cc1	2263969493	ZIEPBWKPMGOCGS-NSHDSACASA-N	249.075	-0.725	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@@H]3CCCO[C@@H]32)nc1	2298224647	VIMUCCJYJRNXLC-LSJOCFKGSA-N	234.064	-0.649	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2CNC[C@@H]21	2298371279	GCPZSLUMSYPLEY-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
COC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375667	UXZXVNUXEPGKJB-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
C#C[C@H]1N(c2ncc(B(O)O)cn2)CC1(C)C	2299565069	PAGYEGXSGNGUSZ-SECBINFHSA-N	231.064	-0.996	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(C(=O)C1(B(O)O)CC1)C2	2301505865	SHNRRDMZGXIQTH-NQMVMOMDSA-N	239.080	-0.635	50	10	BBGE	
CON1CCN([C@@H](C)CCCC(=O)NN)CC1	2302018183	NIYKSCKVDHJLAS-JTQLQIEISA-N	244.339	-0.286	50	10	BBGE	
COc1cc(CN2CC[C@@H](B(O)O)C2)ncn1	2303102706	ZJVWIFXYDALPSL-MRVPVSSYSA-N	237.068	-0.466	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2COCCCO2)C1	2303156798	FHAYTIAJYVDEDF-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
CC[C@](C)(CN1C(=O)COC[C@@H]1C)C(=O)NN	2303432373	SKADPAIKZUDHBZ-GZMMTYOYSA-N	243.307	-0.360	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317164420	ZJSZABMMIRCWGG-NWDGAFQWSA-N	246.075	-0.173	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H](N)C1	2317164920	FSJLDVBVPVXLRU-QWRGUYRKSA-N	245.091	-0.470	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)C(=O)NN	42467020	GCKSHPCDGSLGEN-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
Cc1ccccc1C(=O)NNC(=O)CN	49813724	AVLFPEMXBXRKMP-UHFFFAOYSA-N	207.233	-0.285	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nnnn1C1CC1	82471958	SHYKVSYGAMSBBI-YFKPBYRVSA-N	242.308	-0.131	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSCCO)O1	82472510	WNERTRGDUGMWHK-RQJHMYQMSA-N	220.294	-0.751	50	10	BBGE	
CS(=O)(=O)CCCNS(=O)(=O)CCl	82512922	CJBYLXDFOPHSHU-UHFFFAOYSA-N	249.741	-0.463	50	10	BBGE	
O=C1[C@H](Br)CCN1CCO	82607431	MKUNSMFXNJOUBU-RXMQYKEDSA-N	208.055	-0.026	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN(C)CC1	86313296	VMWQONBHGQILQA-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
COC(=O)CS[C@@H](C)[C@H](C)C(=O)NN	86313976	OUSAPWTZBGQJKV-WDSKDSINSA-N	220.294	-0.093	50	10	BBGE	
CCOC[C@@H](C)N1CC(=O)OC(=O)C1	111218136	LGEZENKKIIHGDE-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)CCCCl	130226133	QOBQSOWOVVHXIO-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
O=C([C@@H]1CCCCN1)N1CCC[C@H]1B(O)O	195919442	YCLNNZMXERPEFT-IUCAKERBSA-N	226.085	-0.869	50	10	BBGE	
OB(O)c1cnc(-c2ccccc2)nc1	198019491	JURHQJGHFQQNTI-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
OB(O)c1cnc(-c2cccnc2)nc1	198019767	LOMBSGQVUHYVJV-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
OB(O)c1cccc(OCCn2cncn2)c1	199004560	FKJXEPACXLSTCC-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](NC(=O)OC)C1	229803267	PXVYJAULOVJRGV-HTQZYQBOSA-N	244.295	-0.815	50	10	BBGE	
COCCN(CCO)S(=O)(=O)CCCl	232301320	RFLDCNUTLKCNIF-UHFFFAOYSA-N	245.728	-0.504	50	10	BBGE	
COc1cc(CO)ccc1O[C@@H](C)C(=O)NN	234819140	HJSONUAPLFRSAI-ZETCQYMHSA-N	240.259	-0.055	50	10	BBGE	
NC(=O)[C@@H]1CCN(S(=O)(=O)CCCl)C1	236255642	PKGJVKWGAHOUET-ZCFIWIBFSA-N	240.712	-0.638	50	10	BBGE	
CC(C)(O)C/C(=N/NC(N)=O)C(=O)O	238181975	CWHNNDBJWQEAOI-WTKPLQERSA-N	203.198	-0.744	50	10	BBGE	
COc1nc(N)c(C(=O)NN)nc1Cl	238390248	CVDOLVXGPBVUSN-UHFFFAOYSA-N	217.616	-0.676	50	10	BBGE	
N#Cc1cc(B(O)O)cnc1Br	238631242	INCMIXNNCLBYCC-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc(F)cc1F	259025337	QLCSCJUNEUBGRW-MRVPVSSYSA-N	215.203	-0.176	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1[C@H](C)C(=O)NN	306960093	BBWZDZDVWGWQCB-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CC[C@@](COC)(NC(=O)NN(C)C)C(=O)O	328555167	YNTHNFWWHHQNKQ-VIFPVBQESA-N	233.268	-0.358	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1C[C@H]2C[C@@H]2C1	380354129	SPFAFSPSMGAACM-NXEZZACHSA-N	247.103	-0.173	50	10	BBGE	
COc1cc(-n2cnc(C)c2)ccc1B(O)O	382641366	OPORGTKRGANRBU-UHFFFAOYSA-N	232.048	-0.131	50	10	BBGE	
Cc1nc(N2CCCC[C@H]2C)ncc1B(O)O	382736408	XHFIKUAGPQYSFR-MRVPVSSYSA-N	235.096	-0.156	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1CC(=O)NN	388686093	ITKQSGKAUWWRDC-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)c1ncn(C)n1	391773345	RLCNOTKRPTXXAS-RXMQYKEDSA-N	245.670	-0.059	50	10	BBGE	
CCC1(O)CN(Cc2ccc(C(=O)NN)o2)C1	394924318	IABJBCDUFZPTHX-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
Nc1cc2cc(B(O)O)cc(CO)c2s1	396248937	QTRGTHGRMSDSSW-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1cc2ccsc2c(B(O)O)c1O	396332841	ADIMJRXBYGOAIP-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OCc1c(B(O)O)c(O)cc2sccc12	396342011	MVWOPPNWQWLBFH-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN(C)C(=O)CNC1=C=S=C(Cl)N1	642854477	HMSKRZUFASVVIO-UHFFFAOYSA-N	219.697	-0.431	50	10	BBGE	
C[C@@H](CO)CN(C)C[C@@H](C)C(=O)NN	688388691	UMWZPGZMDHORBJ-HTQZYQBOSA-N	203.286	-0.827	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299930	HXCMLAHJSIFSFV-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	709678454	KRATUPAZTNQDQE-XCBNKYQSSA-N	235.048	-0.660	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NCB(O)O)C(C)(C)O1	710293133	RHRVRUYKXPQWIM-ZETCQYMHSA-N	229.085	-0.292	50	10	BBGE	
CCOCCOCc1nsc(C(=O)NN)n1	724346556	ZKRYDXRLZMSTFM-UHFFFAOYSA-N	246.292	-0.305	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](O)C1CCC1	823716734	POYRGJSHTLUHJW-QMMMGPOBSA-N	214.265	-0.049	50	10	BBGE	
COc1ncncc1C=NNC(=O)C(C)(C)O	842530760	AAUHKFUFGMEDPX-UHFFFAOYSA-N	238.247	-0.294	50	10	BBGE	
CCOC1(C(=O)NNC(=O)CO)CCC1	857169556	INXYEXQYSBOAMD-UHFFFAOYSA-N	216.237	-0.915	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cn[nH]c1	862471651	JKPKOLHBGHWCFL-UHFFFAOYSA-N	226.236	-0.404	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN(C)C(=S)NC	909991465	AUAKVSFNGPHOPM-WWVFMHICSA-N	217.294	-0.609	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ncccn1	1441046340	HTEYAGAIPPLSTN-LURJTMIESA-N	226.236	-0.949	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCC(N)=O	1618102065	XPDIEWJECXGXER-VOTSOKGWSA-N	211.221	-0.578	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCN1CC[C@H](F)C1	1642192360	DSJJZWHGTDHGNJ-UWVGGRQHSA-N	247.314	-0.236	50	10	BBGE	
NC(=O)C[C@H](NC(=O)CCCCl)C(=O)O	1865986624	FNHBNMVSZBQKOW-YFKPBYRVSA-N	236.655	-0.550	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](Br)C1	1880519318	GRZXRFUWXIQZQR-RITPCOANSA-N	225.082	-0.124	50	10	BBGE	
OC[C@@H]1CNCCN1C[C@H]1C[C@@H]1Cl	1883566186	HQDPHOQSTAHZAK-VGMNWLOBSA-N	204.701	-0.120	50	10	BBGE	
CCON(C)CCC(F)(F)C(=O)NN	1885134501	JDSFSVADSQPEJB-UHFFFAOYSA-N	211.212	-0.115	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)C[C@H]1CO	1886214171	CMPQLZIUWCHNTR-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
CC(C)(C)OC(=O)C[C@H](N)C(=O)NN	1887617860	FPCGZSNRBGHMKK-YFKPBYRVSA-N	203.242	-0.965	50	10	BBGE	
COC[C@@H](OCC=C(C)C)C(=O)NN	1887955074	ZJVRTDLDKQTKBM-MRVPVSSYSA-N	202.254	-0.026	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@@H]1C[C@@H]1Cl	1893469755	LYWDZKRDJMQQJP-PBXRRBTRSA-N	240.712	-0.593	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)[C@@H]1C[C@H]1Cl	1893474811	NIFAMYTVLJWGGC-BHNWBGBOSA-N	221.684	-0.137	50	10	BBGE	
CC(C)(CN1CCOC[C@H](F)C1)C(=O)NN	1900250669	MZDDNZHZPWMPEW-MRVPVSSYSA-N	233.287	-0.327	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1NC[C@H]1C	1901377106	KFYNAYVWHQYJCA-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CN)N(C)c1cc(B(O)O)c(Cl)cn1	1901470733	UJRKZHQPROXOGL-LURJTMIESA-N	243.503	-0.802	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](CO)C(C)C	1902092795	UDLRBEALFPFERK-UWVGGRQHSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@H](O)[C@@H]1CF	1905009437	NFZWJGKEVUJNCM-JRTVQGFMSA-N	225.647	-0.484	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(CC(=O)NN)C1	1905550787	PRMWXYZWAYTBHY-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C(C)(C)C(N)=O	1915525543	XOQWTYQVWOWDSK-UHFFFAOYSA-N	230.312	-0.802	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CCCC2)C1	1915579453	MWXNVGBKLVISKO-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)N1CCOC[C@H]1[C@H]1CCOC1	1928026370	KFDBJUSEONBOPX-YUMQZZPRSA-N	215.253	-0.693	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(CCC(=O)NN)C1	1928102502	MYYVXNHPYVRLBH-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
CC(C)(CCN1CC[C@@H]1CO)C(=O)NN	1929740151	FLZGIPKUUMDULF-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCC[C@@]1(O)CCN([C@H](C)C(=O)NN)C1	1930885216	GZKBCMNUEBVPQH-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936094360	MMPIUSLYPLTFJI-VHSXEESVSA-N	226.324	-0.750	50	10	BBGE	
OB(O)c1ccccc1CN1CCCCO1	1937139305	KKWVGMIFHRGCHG-UHFFFAOYSA-N	221.065	-0.106	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)[C@@H]1CCCOC1	1937726001	GMAFKPSOXYVRPC-RQJHMYQMSA-N	247.320	-0.708	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC(F)(F)CO	1938121548	GEBHWNLPCJKUDE-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
COC[C@@]1(OC)CCN([C@H](C)C(=O)NN)C1	1938620117	FAQBYFLMNPCBPT-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
CCN(CC)C1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1941089659	WYRDRWVOLLWBKL-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
CCc1nn(C[C@H](C)OC)c(CC)c1B(O)O	1944696501	AIQFRHVLPWNKNC-QMMMGPOBSA-N	240.112	-0.277	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@@H](O)[C@H]1CC2)C(=O)NN	1948487463	WJWLLXRNLGUMCV-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)C[C@@H]1F	1951321636	AOCWLZJQELUILV-FJXKBIBVSA-N	215.033	-0.190	50	10	BBGE	
O=C1CCN(C[C@@H](O)CCl)CCCN1	1956252088	MMRNUXGSATUPDY-QMMMGPOBSA-N	220.700	-0.202	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(CCC(=O)NN)C1	1957739218	OVZFEIMXJCMZGL-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
O=C1NCC2(CN(C(=O)CCCCl)C2)N1	1974909475	RTPKDYKVYILAOI-UHFFFAOYSA-N	231.683	-0.101	50	10	BBGE	
O=C(NCB(O)O)C1CC2(C1)CC(F)(F)C2	1976115147	DTBBIJQOOHWPSL-UHFFFAOYSA-N	233.023	-0.060	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1979849318	NNJLVVAXLZMDRO-KXUCPTDWSA-N	229.324	-0.439	50	10	BBGE	
O=C(CCl)NC(=O)N1CCn2ncnc2C1	1980813845	MLSBSNCDGLYVRF-UHFFFAOYSA-N	243.654	-0.431	50	10	BBGE	
COC[C@@]1(C)CC(=O)N(CCC(=O)NN)C1	1980847082	GSEXZBARECOECO-JTQLQIEISA-N	229.280	-0.749	50	10	BBGE	
CCN(CCOCCCl)[C@@H]1CC(=O)NC1=O	1981040979	KMFDGWUWQPMDRL-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
COC[C@@H](C)N(C)c1ncccc1B(O)O	1981424541	VDAOPCLGDQNFNV-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
OB(O)c1csc(N2CC3CC2(CF)C3)n1	1981468367	APCAFIJAHKOUJC-UHFFFAOYSA-N	242.084	-0.239	50	10	BBGE	
CC(C)(CCN1CC=C[C@@H]1CO)C(=O)NN	1983181264	MWSIWUJVLYDZLD-SECBINFHSA-N	227.308	-0.375	50	10	BBGE	
NC(=S)NNC(=O)c1cccn2ccnc12	1983537542	LOUNVFQUAWYBEM-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
CCN(CCO)C[C@H]1CC[C@H](C(=O)NN)C1	1985358082	WGPUMBCSSAYHCG-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CC(C)[C@H]1C[C@H](NC(=O)C(=O)NN)CCO1	1985954858	KTXZXXOQQSMFBD-HTQZYQBOSA-N	229.280	-0.704	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSC[C@H](C)C1	1990774674	MFINSEIMRCDSSK-MRVPVSSYSA-N	245.348	-0.161	50	10	BBGE	
Cc1ccc(S(=O)(=O)NCC=CB(O)O)o1	1991327179	NZIPEFJJBNYBTG-UHFFFAOYSA-N	245.065	-0.565	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCC2)C12CCC2	1992375656	WOHVZHYNRBDXNG-UHFFFAOYSA-N	223.276	-0.089	50	10	BBGE	
COC[C@@H](C)COc1cncc(B(O)O)c1	1992686639	YUYSKRDHCFZMEY-MRVPVSSYSA-N	225.053	-0.577	50	10	BBGE	
NNC(=O)CCCN1Cc2cncnc2C1	1994941493	HLKGQOURBPCKHO-UHFFFAOYSA-N	221.264	-0.438	50	10	BBGE	
CC1(CC(=O)Nc2ncc(B(O)O)cn2)CC1	1996645550	LDADBXZNFGNDFO-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
O=C(CCC1CC1)Nc1ccc(B(O)O)cn1	1996648162	WKRKMXXGRZGXFT-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
Cc1ccoc1C(=O)N[C@@H](CB(O)O)C(=O)O	1998125375	HZFGYEGJUMAPGE-LURJTMIESA-N	241.008	-0.756	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCCCNC1=O)C(=O)NN	2004251028	YUEVWUGPBJNPIU-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)c1occc1CN1CCO[C@@H]2C[C@H]21	2004485673	BHXOJNGISUKCPR-RKDXNWHRSA-N	237.259	-0.144	50	10	BBGE	
C[C@@H]1N(c2ncncc2B(O)O)CCC1(C)C	2004911742	KFMLKYBLBPAFHF-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CCC1CCN(c2ncc(B(O)O)cn2)CC1	2004911955	NCIMPNOZZIHEBM-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
C[C@H]1CCCN(c2ncc(B(O)O)cn2)[C@@H]1C	2004912515	URMXZVXOONSWFG-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](C(F)F)C2)nc1	2004920680	MFGMBTYTJIYENJ-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
COC[C@@H](C)N(C)c1ncc(B(O)O)cc1F	2005014798	QVIJXBFDBIKOSW-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)C[C@@H]1C	2005015476	AVVJSUCPVZSMLW-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
COC[C@@H]1CC[C@@H](Cn2cc(B(O)O)cn2)C1	2010880915	AYNANVSRRRUKOC-NXEZZACHSA-N	238.096	-0.374	50	10	BBGE	
OB(O)c1cccnc1OC1CC2(COC2)C1	2011107445	VCVFQKZUZIYKKL-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]12C[C@@H](CO)C2	2011131834	HUYJXMGQDCYMMM-WYFGTUCQSA-N	241.335	-0.152	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](n3ccnc3)C2)CC(=O)O1	2012297043	ZVOYLIATMMPUED-DTORHVGOSA-N	235.243	-0.028	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	2013927138	APRAUSXKMMKLMM-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(CCO)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	2014780702	OJTTXYBNJOZBFI-CKYFFXLPSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](CO)C12CCC2	2016079872	JRMIEGOXSVEBKT-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NNC(C)=O)CC1	2019208288	GACSNHSUVNDBIR-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
O=C(CC[C@@H]1CCCCO1)NCC#CB(O)O	2021156945	FJXAGWFCLMRGHJ-JTQLQIEISA-N	239.080	-0.533	50	10	BBGE	
C[C@H](CN(C)C)OCc1cccc(B(O)O)c1	2022701951	GMZVZAZIUMBGDJ-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
NNC(=O)C1(COc2ccccc2C(N)=O)CC1	2033728501	TVABHAWYWSVEGD-UHFFFAOYSA-N	249.270	-0.066	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CC2(CC2)C1	2040763213	NJKQSAZBZUXMBC-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H]2C[C@H]2C1	2050243108	QWKWYLZMMAHWMD-BDAKNGLRSA-N	249.318	-0.135	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CCCC[C@H]32)c1B(O)O	2052560409	XIVHMUASRAUYRK-VHSXEESVSA-N	247.107	-0.156	50	10	BBGE	
Cc1cc(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)ncn1	2085655344	VYHREMJZGGCNEX-ONGXEEELSA-N	249.318	-0.157	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838421	HGONLRLWTDFIMU-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
Cc1cnc(O[C@H]2CCOC2)cc1B(O)O	2212604511	POICPNQUZULFNP-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
N#C[C@@H]1CCN(c2ncccc2B(O)O)C1	2212613815	YVFZIOIWWDQESQ-QMMMGPOBSA-N	217.037	-0.889	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2213023525	DICTTYYUIYLCIG-AJBSGBCOSA-N	241.335	-0.296	50	10	BBGE	
N#C[C@]12CN(CCCC(=O)NN)C[C@H]1CCO2	2216068005	JXQADRSFZQYKNM-KOLCDFICSA-N	238.291	-0.629	50	10	BBGE	
NNC(=O)C1(CN2CC(N3CCC3)C2)CCC1	2216533102	WXMCYBLPKTVXDV-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
COC[C@@H](Nc1ncccc1B(O)O)C1CC1	2217173718	TVMJPGMHJFSZHF-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](N)CN(C)c1cc(B(O)O)c(C)cn1	2217180919	LVYFRUIGILMCGO-VIFPVBQESA-N	237.112	-0.757	50	10	BBGE	
Cc1cnc(N[C@@H]2COC[C@@H]2C)cc1B(O)O	2217181899	WSWGHLQIUBFUFS-WCBMZHEXSA-N	236.080	-0.483	50	10	BBGE	
C#CCCCCCN=c1ccc(B(O)O)c[nH]1	2217185079	TYQSVKXPWHLRJD-UHFFFAOYSA-N	232.092	-0.211	50	10	BBGE	
N[C@H]1CC[C@@H]1COc1nccc(B(O)O)c1F	2217193149	LCYACSOCYVSCPX-SVRRBLITSA-N	240.043	-0.983	50	10	BBGE	
CCOC(C)(C)CNc1cc(B(O)O)ccn1	2217194741	CGWKBTLIPGCVAJ-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)Nc1ncccc1B(O)O	2217195604	LSQNGTGVPIUHDI-WPRPVWTQSA-N	238.096	-0.421	50	10	BBGE	
CC1(C)[C@@H](Nc2ncccc2B(O)O)C[C@H]1N	2217200262	SCHJTALGULXEBU-BDAKNGLRSA-N	235.096	-0.701	50	10	BBGE	
Cc1cnc(O[C@@]23CNCC[C@@H]2C3)cc1B(O)O	2223620693	PDIVDYWTZGVFRQ-SKDRFNHKSA-N	248.091	-0.799	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H](CN)C2)cc1B(O)O	2223645396	WJDLINUUGGHYTN-UWVGGRQHSA-N	249.123	-0.391	50	10	BBGE	
N[C@@H]1C[C@H](COc2ccc(B(O)O)cn2)[C@@H]2C[C@@H]12	2223664739	ZGUHBBFXIJXUEJ-APHKKCJPSA-N	248.091	-0.877	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2243349508	MNMMPCLSSCNEPN-BYPYZUCNSA-N	231.995	-0.922	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCC(F)(F)[C@@H]21	2243362794	WPYQMZWSTUNVLX-APQOSEDMSA-N	228.991	-0.838	50	10	BBGE	
C=C(CCN)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382222	LYMITYDJFFWDJU-DTORHVGOSA-N	226.085	-0.739	50	10	BBGE	
CCOCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243395698	AUYGBRRFGAZPCU-KYZUINATSA-N	229.085	-0.218	50	10	BBGE	
C[C@@H](O)C1CN(C(=O)C2CC(B(O)O)C2)C1	2243395825	CGEHMHSPVFEDAI-SXJRXYEXSA-N	227.069	-0.921	50	10	BBGE	
O=C(NCC1CCOCC1)[C@@H]1C[C@@H]1B(O)O	2243396244	JQKKOPCPSXKOKQ-BDAKNGLRSA-N	227.069	-0.608	50	10	BBGE	
CC(C)(CCO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396811	QYBVBAXEFLXJKF-YUMQZZPRSA-N	229.085	-0.626	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)C=CCCC1	2243399267	LBJAKTJVUJFYML-NSHDSACASA-N	221.065	-0.136	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1sccc1B(O)O	2243406676	CNURHEONQMPAPN-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CO1	2243411013	MAUKFQTXWZIRKF-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(C(C)C)C1)B(O)O	2243432532	BAPCPENXQQGIBJ-UHFFFAOYSA-N	247.125	-0.528	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)NCC=CB(O)O	2243829443	HEHLIGAXILRTCH-SCZZXKLOSA-N	227.069	-0.657	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(O)C[C@H]3C2)CCC1	2246749205	PRHUKXRZEXYYOO-CABZTGNLSA-N	239.319	-0.397	50	10	BBGE	
CN(C[C@@H]1OCCC1(C)C)C(=O)C#CB(O)O	2247741439	ZRJQGAOACZAKTP-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
N[C@@H]1CCCC12CN(C(=O)C1(B(O)O)CC1)C2	2247754567	MZFTVMDWHYFJBW-MRVPVSSYSA-N	238.096	-0.667	50	10	BBGE	
O=C(N1C[C@H]2CNC[C@H]1C2)C1(B(O)O)CCC1	2247754797	FUDVGJIAMIBLSH-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
Cc1ncnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247792518	TVMASWRRRXNKJC-KNVOCYPGSA-N	236.040	-0.628	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247798871	XWQQCPZZIUJVGG-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247799821	IPCVZCDOUDHZFK-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC12COC(CF)(C1)C2)[C@H]1C[C@H]1B(O)O	2247805306	AZMYPUCIXMCERM-RYEKAPQHSA-N	243.043	-0.763	50	10	BBGE	
CN(C[C@@H]1CCCNC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808864	MWNXHNMLVIMYFL-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
COCC1(CNC(=O)C2(B(O)O)CC2)CCC1	2247855828	YUELKEBFECHASK-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2247869077	LQMCDWYBLQIMQW-MRVPVSSYSA-N	238.096	-0.521	50	10	BBGE	
O=C(NCCn1cccc1)[C@H]1C[C@H](B(O)O)C1	2247887089	KAIKSDNXLFACMX-MGCOHNPYSA-N	236.080	-0.143	50	10	BBGE	
CN(C[C@]1(C)CCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247893931	AMRXNGUFMPMVCA-NGZCFLSTSA-N	241.096	-0.266	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)ccc1O	2248031657	DYQPWHCBDMUPEK-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
O=C(O)C1(CNC(=O)C2(B(O)O)CC2)CCC1	2248573611	HJOBCLFSRNYNSR-UHFFFAOYSA-N	241.052	-0.636	50	10	BBGE	
CC1(C(=O)O)CN(C(=O)C2CC(B(O)O)C2)C1	2248573750	JJIXWXFVZWCNHK-UHFFFAOYSA-N	241.052	-0.828	50	10	BBGE	
CC[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248574417	RHRBNAFFXXGWTF-PRJMDXOYSA-N	243.068	-0.391	50	10	BBGE	
CC[C@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248587341	OHRSSQGXROCSOJ-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
C=C[C@@H]1COCCN1c1ccc(B(O)O)cn1	2249035214	DVTTWSGKNIANRA-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CCn1ncnc1CN1CCC(B(O)O)CC1	2249358775	UDOVWTQTOGVBMU-UHFFFAOYSA-N	238.100	-0.263	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1cocc1B(O)O	2249408333	QMHKANAORSGAQO-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C=CCN(OC)c1nc(OC)ccc1B(O)O	2249517513	QVEWTUDZKYQVRE-UHFFFAOYSA-N	238.052	-0.676	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2ccoc2B(O)O)C1	2255463805	NIRKGTWJWOGWCZ-RKDXNWHRSA-N	247.059	-0.509	50	10	BBGE	
COc1cc(CN(C)C(=O)C#CB(O)O)ccn1	2255472114	CLQZEPQBKAEPRW-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ncccc2B(O)O)C1	2255516572	NIOUCBAPFOGLBO-DTWKUNHWSA-N	248.091	-0.320	50	10	BBGE	
O=C(Nc1ncccn1)c1ccccc1B(O)O	2255525656	HLCQKIBVOOFTBS-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(NCc1ccn(C2CC2)n1)[C@H]1C[C@H]1B(O)O	2255563613	HZAGTFITHJHRMZ-VHSXEESVSA-N	249.079	-0.303	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]32)oc1B(O)O	2255577249	RKUMLQNUGZKQDJ-HRDYMLBCSA-N	249.075	-0.204	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2CCC1CC2	2255737265	BXXUOICSBLJMKO-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
CN(CCC#N)C(=O)Nc1ccccc1B(O)O	2255916408	FLRXNMARQAJSTH-UHFFFAOYSA-N	247.063	-0.256	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1=COCCO1	2256636999	RCYXNNBSYMSILQ-UHFFFAOYSA-N	249.031	-0.807	50	10	BBGE	
C#CCN(OC)C(=O)c1cccc(B(O)O)c1C	2258261532	GQSAUKVBRWQMTA-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2258960585	ICOMPAZBWQYJQG-RMPHRYRLSA-N	247.103	-0.200	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H]2C[C@@H]2C1=O	2298167290	GYODUECDYUGSGK-IMSYWVGJSA-N	237.303	-0.129	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCCO1	2298371690	RURRWCAZGUZYOW-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CCN(CCO)c1ccc(B(O)O)cc1C#N	2301339060	PEFJPIFACBRJTO-UHFFFAOYSA-N	234.064	-0.943	50	10	BBGE	
C[C@H](CN)COc1ccc(C=O)c(B(O)O)c1	2301453193	RIFDAOALAJXUGM-MRVPVSSYSA-N	237.064	-0.848	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3CC[C@H]2O3)c1	2312612167	FAMXMOSGDDTWAV-INTQDDNPSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCC[C@@H]1O	2317151480	RFJMRGPJFMEMHX-RYUDHWBXSA-N	246.075	-0.437	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCO[C@@H]2C[C@@H]21	2317166744	YRCNLIIXDAFFFJ-NWDGAFQWSA-N	244.059	-0.784	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317305839	GQZQJFVATRTXOC-VXGBXAGGSA-N	249.075	-0.232	50	10	BBGE	
NNC(=O)CCCOC[C@@H]1CCCO1	82463860	NQDNJUZENVNBAL-QMMMGPOBSA-N	202.254	-0.048	50	10	BBGE	
CC[C@@H](Sc1n[nH]c(N)n1)C(=O)NN	82472943	RINTXIBBFTWZHC-GSVOUGTGSA-N	216.270	-0.753	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC(=O)C1(C)C	85088513	DYDUQFQTPXSLML-YFKPBYRVSA-N	232.667	-0.123	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)CC(C)(C)O	86274828	HHCDLADIGRGJNC-UHFFFAOYSA-N	231.296	-0.754	50	10	BBGE	
NS(=O)(=O)CNCCBr	138975016	IOEQZEACONWWHC-UHFFFAOYSA-N	217.088	-0.783	50	10	BBGE	
CC[C@@H](CO)NC(=O)NNC(=O)C(F)(F)F	188976118	GOQSDPUAUDMPBN-BYPYZUCNSA-N	243.185	-0.350	50	10	BBGE	
CCOCCNCc1ccc(B(O)O)s1	203615096	ZMVGQCQMMNHASR-UHFFFAOYSA-N	229.110	-0.446	50	10	BBGE	
NC(N)=NCCCC[C@@H](N)C(=O)Cl	215468596	WVYXKBOQWKGMGO-RXMQYKEDSA-N	206.677	-0.477	50	10	BBGE	
C[C@H]1C(=O)N(C(N)=O)CCN1C(=O)Cl	217681302	FVVJDDDSJVTPRN-BYPYZUCNSA-N	219.628	-0.043	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@H](CC(=O)NN)C1	217988345	PBOCASGBSLIJGP-MRVPVSSYSA-N	249.336	-0.572	50	10	BBGE	
NNC(=O)CCN(CCO)C1CCC1	228568756	AAMHWMFQSUMMAH-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc(C)cc1C	232420958	XWLOENMXWAOZDA-MRVPVSSYSA-N	212.253	-0.323	50	10	BBGE	
Cc1nn([C@H]2CCCCO2)cc1B(O)O	238534802	PONAEIYVWYVSQC-SECBINFHSA-N	210.042	-0.430	50	10	BBGE	
NC(=O)C[C@@H](Cl)[C@H](Cl)CC(N)=O	238551945	VGTNTNKHQYLNLY-QWWZWVQMSA-N	213.064	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	252915125	AJAZSPSEUWTDCB-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CN1CCC[C@H](COCC(=O)N(C)N)C1	259049309	UZXJQKDMAMMKDK-VIFPVBQESA-N	215.297	-0.323	50	10	BBGE	
NNC(=O)[C@H](C(=O)O)[C@H]1CCCC[C@H]1O	308719343	PXQLPPSFYUQIFW-RRKCRQDMSA-N	216.237	-0.772	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1cc(Cl)c[nH]1	309368807	BOMAHAJMEJKUOS-SCSAIBSYSA-N	230.655	-0.224	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)C(C)(C)C1	388212158	UXFFRGBOKJLLPV-YIZRAAEISA-N	229.324	-0.296	50	10	BBGE	
O=C(CCCl)NC(=O)NCCn1ncnn1	390760439	MDFJUHHCZICTEV-UHFFFAOYSA-N	246.658	-0.872	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1/C=C/C(=O)O	396129064	BTFPHOBDKWGZFQ-GQCTYLIASA-N	248.043	-0.404	50	10	BBGE	
COC(=O)c1cc(CCC#N)cc(B(O)O)c1	396138784	QLMNTENEGSKABI-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
Nc1cc(B(O)O)cc2scc(C(=O)O)c12	396239356	JHYURMRADRRWDM-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1sc2c(C=O)cccc2c1B(O)O	396256950	NRJNPHGERBWFDH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(CCC(=O)NN)C1	398862903	WVONEFUQJPZJBP-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H](C)C(=O)NN)C1	399673979	OMOYBSVPQRWGQQ-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(CCO)CC1	400996206	DUEREKMHRGEDDA-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
O[C@@H]1C[C@H]2CN(CCCl)CCN2C1	405219908	MDRDQAGCLOUCPT-DTWKUNHWSA-N	204.701	-0.024	50	10	BBGE	
O=C(CCl)N1CCO[C@]2(CCNC2)C1	642885426	JKEZNNUIVLCGQD-VIFPVBQESA-N	218.684	-0.184	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCC[C@@H]1OCC2	687414970	ZLSSGZCPHDBMLD-IMTBSYHQSA-N	229.305	-0.190	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)C[C@H]1CO	687625419	WEIUERFGOHNVFL-BDAKNGLRSA-N	217.700	-0.274	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)CC[C@H]1C)C(=O)NN	688754638	KRKLBHMWIFKVFD-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1ccn(CC2CC(F)(F)C2)n1	694227651	IRKBEKIBZBJNJR-UHFFFAOYSA-N	215.996	-0.392	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2Cc3ccccc32)c1	694545305	XPBXBCFWYVREHA-JTQLQIEISA-N	228.060	-0.097	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CCOCCO	695062429	QPOUJGYUICUPHN-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H](CO)C1	696780569	SXUHAHOQTRQKHR-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CN1CC[C@H](CCN(C)C)C1)C(=O)NN	701448176	VQWYMMOVJADTSS-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1CCOC1	703449421	RLJZIYFUFBLYTI-IWSPIJDZSA-N	225.244	-0.061	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)CBr	707234294	WBQGDAFSRQDBGQ-UHFFFAOYSA-N	248.084	-0.437	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC12CCOCC2	707413605	KHKJFHKVRILJPG-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
CN([C@H]1COC[C@H]1Cl)S(C)(=O)=O	709089390	VXAYLMBWVIPNDZ-RITPCOANSA-N	213.686	-0.116	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([C@@H](C)O)C1	719809253	ZNWWRPFHGZWPDI-VXNVDRBHSA-N	215.297	-0.542	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)CCS1	720001308	STBFPRIPOBLJMK-YUMQZZPRSA-N	225.741	-0.004	50	10	BBGE	
CC1=CS[CH][C@@H]1C(=O)NCB(O)O	725598457	FKRAOXGSHSTVGX-LURJTMIESA-N	200.048	-0.457	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cc1ccon1	746176287	HZCORJYVMVEDRA-UHFFFAOYSA-N	226.236	-0.044	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(O)(C#N)CC1	821980429	FWDNSKROXZDPPJ-QMMMGPOBSA-N	226.280	-0.895	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)c1cc[nH]n1	855354346	AVBWTGOLNLNWHD-JTQLQIEISA-N	240.263	-0.421	50	10	BBGE	
CCOCCC(=O)NNc1nnc(C)n1C	856048698	KKGBIOJHFCDVMN-UHFFFAOYSA-N	227.268	-0.007	50	10	BBGE	
Cc1cc(C=NNC(=O)c2cn(C)nn2)nn1C	1118591412	KRCRCAOSWXICRK-UHFFFAOYSA-N	247.262	-0.379	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1ccc(C#N)n1C	1182599749	DLXFZLWNVOEXPW-UHFFFAOYSA-N	249.274	-0.781	50	10	BBGE	
CN(Cc1cscc1B(O)O)C1(C)COC1	1231951040	ORJLAKHHNPRERP-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
C#CCN(CC#C)C(=O)c1cccc(B(O)O)c1	1293841824	ZCXSQYSFKHHNCA-UHFFFAOYSA-N	241.055	-0.925	50	10	BBGE	
O=C(CCC(F)F)NNC(=O)C(=O)NC1CC1	1321107409	XNCBXAYPBPJWSI-UHFFFAOYSA-N	249.217	-0.542	50	10	BBGE	
CN(NC(=O)c1ccsn1)C(N)=O	1632039233	GXODFMNJDDMNLJ-UHFFFAOYSA-N	200.223	-0.202	50	10	BBGE	
O=C(COCc1ccccc1)NCC=CB(O)O	1880424612	PXUJPLOEATWNEP-UHFFFAOYSA-N	249.075	-0.112	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@@H](O)C1	1882907757	RZIAHMSWWDJURE-FXQIFTODSA-N	204.657	-0.455	50	10	BBGE	
CNCCS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883568593	XATLNBWMNJAVTL-NKWVEPMBSA-N	226.729	-0.248	50	10	BBGE	
CC[C@@](C)(NC(=O)C(=O)NN)C(F)F	1885391149	IAXLFEHPPOOEQS-SSDOTTSWSA-N	209.196	-0.474	50	10	BBGE	
COC[C@H](S[C@H]1CC[C@H]1N)C(=O)NN	1887478079	GJYDOAQECYHZON-VQVTYTSYSA-N	219.310	-0.786	50	10	BBGE	
C#CCNC(=O)CCNC(=O)CCCl	1887695012	VELAJAUFCOSWPB-UHFFFAOYSA-N	216.668	-0.129	50	10	BBGE	
C[C@H](CCl)N(C)C(=O)Cn1cnnn1	1888424146	UZAZZVFLBGTCNC-ZCFIWIBFSA-N	217.660	-0.241	50	10	BBGE	
O=C1C[C@H](C(=O)NC[C@@H]2C[C@H]2Cl)CN1	1893088394	LSEXMYKEZMKIKN-LYFYHCNISA-N	216.668	-0.134	50	10	BBGE	
C[C@](N)(CO)CNC(=O)C=CC(=O)Cl	1893411390	WUNJYWVKJCKMBT-MRVPVSSYSA-N	220.656	-0.866	50	10	BBGE	
N[C@H](CCNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893445875	HIRWQILNLCIUQG-KVQBGUIXSA-N	220.656	-0.468	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)[C@@H]1C[C@H]1F	1895381885	NICXHVFXVUNQBZ-RNFRBKRXSA-N	243.068	-0.598	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCCNC1)S(C)(=O)=O	1901374679	VXMMFJLWKPDXTA-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
COC[C@@H](OCc1ccccn1)C(=O)NN	1901613419	MKXRDQAQUHNWLG-SECBINFHSA-N	225.248	-0.397	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](O)[C@H]1C	1901753768	ZLHIWRPZODMHSQ-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)CC(F)(F)C(=O)NN	1907547456	NXVWHKIDGFNFPF-RNJXMRFFSA-N	249.261	-0.422	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)[C@@H]2C[C@@H]21	1907913650	SHTNQCAPAZUQSF-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
CCOCCCOC[C@@H]1CC[C@H](C(=O)NN)O1	1908718811	JUIGJLFUSYFWQP-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	1914254711	HHSAHQIILJOYQN-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
CO[C@@H]1CCN(Cc2cccc(B(O)O)c2)[C@@H]1C	1914308924	OATLMRQYXKRRTH-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC2)C1	1914520685	KMIAVOPDZHTQPM-UHFFFAOYSA-N	205.208	-0.293	50	10	BBGE	
O=C(Cn1cnnc1)N(CCCl)C1COC1	1915654575	FQEJPTSDJVYUNK-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
Cn1nnc(C(=O)NCC=CCCl)n1	1927757354	LRYIAUQTFPXUSP-UHFFFAOYSA-N	215.644	-0.265	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CC1)CSC2	1930634085	VBCRWTBOVXVUPJ-UHFFFAOYSA-N	229.305	-0.668	50	10	BBGE	
CC1(C(=O)NCCCl)CS(=O)(=O)C1	1933135000	GETPONHRLKFXHJ-UHFFFAOYSA-N	225.697	-0.224	50	10	BBGE	
C[C@H](Oc1cccn(C)c1=O)C(=O)NN	1935108557	BQWWXOHIFFUOCI-LURJTMIESA-N	211.221	-0.858	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(N(C)C)C1)C(=O)NN	1937549395	UHVKVSRSZMHQCZ-ONGXEEELSA-N	228.340	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1938235010	FTHWMJHSKPHAPP-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@@H](C2)C3(F)F)CC1	1938247168	PRRJGQKUZOGGBC-RNFRBKRXSA-N	231.246	-0.047	50	10	BBGE	
CCCSC1CN([C@@H](COC)C(=O)NN)C1	1939027674	LBMRJHILMOUCLV-VIFPVBQESA-N	247.364	-0.181	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)c1	1941088830	SEIJBLSBCSOPRO-IUCAKERBSA-N	232.243	-0.654	50	10	BBGE	
C#C[C@H]1CCCCN(CC(=O)NNC(C)=O)C1	1941730212	PDVVJUJNAMLVKG-NSHDSACASA-N	237.303	-0.111	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2OCC[C@H]2C1	1941771896	AWXOXFYJIDYIJU-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
Cc1cn(CCOCC(=O)NN)nc1[N+](=O)[O-]	1941780049	LFSOSGCHHBERJX-UHFFFAOYSA-N	243.223	-0.894	50	10	BBGE	
CC(C)n1nccc1Cn1cc(B(O)O)cn1	1945468326	NQIHTVBFPYNBGH-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
Cn1cccc(OC[C@H]2C[C@H]2C(=O)NN)c1=O	1950721826	JDRBBNPNJYJDAI-HTQZYQBOSA-N	237.259	-0.610	50	10	BBGE	
N[C@@H]1COC[C@H]1C(=O)CBr	1953156139	LXXIHXWNRDWWIP-RFZPGFLSSA-N	208.055	-0.076	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)[C@H]2C[C@H]21	1956634852	QRNSARNXDOWKOU-SFYZADRCSA-N	238.740	-0.057	50	10	BBGE	
CN(C[C@H]1CC[C@@H]2C[C@H]12)C(=O)C(=O)NN	1957993878	DLDITMMINBKSJW-PRJMDXOYSA-N	211.265	-0.519	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCN(C2CC2)C1	1958587137	PFXHTDXVRYBHCN-VIFPVBQESA-N	212.297	-0.855	50	10	BBGE	
CC[C@@H](O)CN(CC)C[C@@H](C)C(=O)NN	1959510406	BCIGFBWMBPREST-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H]1C[C@H](Oc2nc(B(O)O)cs2)CO1	1961697852	ZAKCXWJUOCDIKF-RITPCOANSA-N	229.066	-0.621	50	10	BBGE	
Cc1ccnc(-n2ccnc2)c1B(O)O	1961724400	RQUWGUVSPXMYFF-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C([C@H]1CC=CCO1)N1CCC(B(O)O)CC1	1967574459	XGJZTZSZBLKSQF-SNVBAGLBSA-N	239.080	-0.203	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1Cc2conc2C1	1976755376	JBUWSGYAYGYSJF-XPUUQOCRSA-N	222.248	-0.384	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)CC[C@@H]1CO	1978944285	JGFKVPYKEAADOU-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
O=C(Cn1cnnn1)N1CC([C@@H](F)CCl)C1	1979534901	SVLDEKQSKQMJDF-ZETCQYMHSA-N	247.661	-0.292	50	10	BBGE	
COC1(CF)CN([C@@H](C(=O)NN)C(C)C)C1	1980378605	WJKPIZMZVVFCAY-MRVPVSSYSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1CCCC(=O)NN	1981411582	LZFIHMBZNSVOIC-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@@H]2CCO[C@H]21	1983237467	ADXYGWYTHAMAGZ-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)[C@]1(CN)CCOC1	1991648644	RCJREYJLEUWRGO-JTQLQIEISA-N	246.694	-0.116	50	10	BBGE	
C=C(CN(C)C[C@@]1(C)CCCN1C)B(O)O	1992153096	LSJBITUGZKMRTB-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
CN(Cc1cn(C)cn1)CC(F)(F)C(=O)NN	1997725034	FNEZPTNIGJBXOA-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
Cc1nc([C@H]2CCCN2CCC(=O)NN)no1	1997766873	SDEAEKVDOIRWSY-MRVPVSSYSA-N	239.279	-0.105	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12COC[C@@H]1C2(F)F	1998717066	ZZZGBEDHZFOICN-IONNQARKSA-N	249.261	-0.420	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H]1CCCCNC1=O	2004296834	AMTVFOQIOMTIPB-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1	2004486253	JHNCZVOBGHIQAD-NEPJUHHUSA-N	233.076	-0.661	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@](C)(F)C2)n1	2005014100	GKFZQQXCNBYBIT-JTQLQIEISA-N	239.059	-0.597	50	10	BBGE	
CC[C@@]1(C)CCN1c1ncnc(C)c1B(O)O	2007185908	QNUPNXWBKXQQIV-NSHDSACASA-N	235.096	-0.156	50	10	BBGE	
C[C@H](CN1CC2(CO)CCC1CC2)C(=O)NN	2009104430	CXBOAMXOWWLBET-GRZMOONWSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	2012099587	MDOZPYTXBDSKCM-HRDYMLBCSA-N	239.279	-0.233	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	2018140433	CKOIUVKRIVIKNX-DJLDLDEBSA-N	241.291	-0.893	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3cc(B(O)O)ccn3)C[C@H]12	2042945246	SZXNYDKLEVQZIS-JWKOBGCHSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCC3(COC3)C2)n1	2052554959	CATFEUBFMMLSOL-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
O=Cc1cc(F)c(Cl)cc1B(O)O	2060109970	GVCXKWKRPURXOZ-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1ccc(OC)c([N+](=O)[O-])c1B(O)O	2060323064	KXLYSZBUFBUKFB-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
OB(O)c1ccc(OCc2ccnnc2)cc1F	2086139470	OXNDQQCPTMEKSB-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)c1ccc(=O)n(C)c1	2210281638	QLPCPEGGZUKATK-ZETCQYMHSA-N	224.264	-0.800	50	10	BBGE	
OB(O)c1cccnc1NCc1ncco1	2212612842	PHBDGHBECJCMEB-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@@H]1CC[C@H]1C(=O)NN	2215773365	BADQWWKYYDDQOS-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@]3(CO)C2)CCC1	2216534688	QNYGUQDVISJUIS-BXKDBHETSA-N	239.319	-0.539	50	10	BBGE	
NC[C@H](Oc1ncccc1B(O)O)C(F)(F)F	2217166408	MYDGCLUDFURPAX-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1c1ccc(B(O)O)cn1	2217173263	PRFOIKXDCIJMLW-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
CC(C)C[C@H](CN)Nc1ccc(B(O)O)cn1	2217174199	XFMYAGHXENOVBO-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
C[C@@H]1C[C@H](CNc2cc(B(O)O)ccn2)CN1	2217176144	RYOFHUOCWQRLLO-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N2[C@H]3COC[C@H]2C3)cc1B(O)O	2217179085	GFPCNPFETPRJOG-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H]1CNC[C@H](Oc2ncccc2B(O)O)C1	2217180847	LGTMRYLCMBWAMK-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N[C@H](CO)C2CC2)cc1B(O)O	2217183566	JKRKAALIMSWCKH-SNVBAGLBSA-N	236.080	-0.747	50	10	BBGE	
C[C@@H](CCN)CCOc1cc(B(O)O)ccn1	2217194916	YOUOFJANXVMWPO-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
CCCN(c1cc(B(O)O)ccn1)C1COC1	2217198621	DIRXBUKIQLHWGF-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)Nc1ncccc1B(O)O	2217203579	XHXCMHRNZFYHSG-KWQFWETISA-N	236.080	-0.259	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCCNC1	2220061127	ASXFYWNCERPPLR-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1B(O)O	2223646888	QOVYIUSRWWCKFW-WDCWCFNPSA-N	244.103	-0.086	50	10	BBGE	
Cc1cnc(N2CCNCC2(C)C)cc1B(O)O	2223648916	RCOIGNUVFGNRPG-UHFFFAOYSA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@]12CCOC2	2223666582	MZPVWUSWURYWCH-BXKDBHETSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2C[C@H]1CN2	2223670021	RODYWZNLVHDQOF-ATZCPNFKSA-N	247.107	-0.686	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)s1	2241467879	CLONBSCLJUGYDT-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
OC[C@@H](O)[C@@H]1CCN1CCBr	2241812080	XBOODEIZRORJMQ-NKWVEPMBSA-N	224.098	-0.191	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(C)O)cc1Cl	2243347539	NHUAMFWVQQUQNY-UHFFFAOYSA-N	243.455	-0.211	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](C(F)F)C1	2243356116	BMPNRTRHZRVLDR-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1occc1B(O)O	2243364425	WZZRIHGTUJOIRA-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
CN(C)NC(=O)c1cccc(B(O)O)c1Cl	2243367216	PMNRISLQDRGMJF-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
N#CCN(CC#N)C(=O)C1CC(B(O)O)C1	2243392162	RVWRGLXVKOKBHZ-UHFFFAOYSA-N	221.025	-0.885	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243396794	QUGOFOMOEUAKKF-FXQIFTODSA-N	227.069	-0.467	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243400210	XKFBDJGXZNKWGE-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C=C1CC(NC(=O)c2ccoc2B(O)O)C1	2243408802	VNOPPARMMCCABD-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CNC1	2243427224	RZYIVQNEPGTSSU-ZKCHVHJHSA-N	226.085	-0.940	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)co1	2244212626	SPYSJDIKRJIQEY-QMMMGPOBSA-N	221.021	-0.592	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](COCCF)(C1)OC2	2245519495	NZSPLBINVKSSSY-UWVGGRQHSA-N	232.255	-0.098	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c[nH]nc2c1	2247740033	FGJYKULTLBTDMV-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCCCCN1)C1(B(O)O)CC1	2247758352	VEHLIBIZDCMETH-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CC(C)(C)CCNC(=O)c1c[nH]nc1B(O)O	2247784707	ZGQXUPCDHFCDRH-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(CO)CCC1	2247791216	LVBYIOUGRHMOJH-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@]2(O)C[C@@H]2C1	2247806602	GHSQFGQAASWUNZ-FOLWWEGKSA-N	239.080	-0.777	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@]2(CCO2)C1	2247806702	OUERTYYNRYWQGZ-AMUVOQDHSA-N	239.080	-0.369	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1C[C@@H]1B(O)O	2247809580	ZUCMQLIEDXYMHU-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247846222	CBCGHIRRJWSBGY-SECBINFHSA-N	238.096	-0.141	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	2247859016	JNYCOZASJJRVPX-JDDHQFAOSA-N	239.080	-0.636	50	10	BBGE	
O=C(NCCn1cccc1)C1CC(B(O)O)C1	2247891503	KAIKSDNXLFACMX-UHFFFAOYSA-N	236.080	-0.143	50	10	BBGE	
CCOC12CC(C1)N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247900179	USEBWJNVBMQLSG-UVCIYIGYSA-N	239.080	-0.371	50	10	BBGE	
C[C@H]1C[C@]1(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576106	DESUZQIMLMPBIC-ZFVDQJKFSA-N	241.052	-0.781	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC2(CC2)C1	2255498155	NWNKZTOWORVZHO-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cccc(B(O)O)c1C	2255513444	RFXACISRGJMWDW-JTQLQIEISA-N	243.071	-0.477	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@@H]1C1CC1	2255551167	UDGZCBQNZQNHLQ-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
O=C(NCc1cc(C2CC2)n[nH]1)[C@H]1C[C@@H]1B(O)O	2255563861	KCZHQFFNUANOBV-IUCAKERBSA-N	249.079	-0.234	50	10	BBGE	
NCCc1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2255564378	OWGIETUOGARKJX-MNOVXSKESA-N	248.091	-0.011	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCCCC#N	2255677031	AOPZNCDIFIDQMI-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NN1CCCC1	2255682385	GIBWNADWWULDMB-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C#CCCN(C(=O)c1ccoc1B(O)O)C1CC1	2255721499	AFQPWXPVQDUCMX-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Cc1cc(C(=O)N2CCCOC2)ccc1B(O)O	2255737091	ZKYUCJUOQBMQPJ-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
CCN(C(=O)c1ncc(C)cc1B(O)O)C1CC1	2255789593	JOUTUUKUSAATRB-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#CCCN(C)C(=O)Nc1ccccc1B(O)O	2255890344	NYENWFOQISQSPK-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H]3C2(C)C)c1B(O)O	2257070727	JSUBFXVKJOVAKN-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)C1(B(O)O)CC1	2298375096	PIOPNIRRMWNCFC-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)CO	2298376557	CBLZHUCLLOANNS-QCBRBAQYSA-N	241.096	-0.674	50	10	BBGE	
C[C@@H](CCCC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2298463701	VQJMTTXAKQSUCC-XLPZGREQSA-N	243.068	-0.391	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)C(=O)NCC#CB(O)O	2301933529	TYVYWFMERYVGOZ-SECBINFHSA-N	241.096	-0.839	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303109725	UEXQYICVZUOFAW-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303847121	DDOBFOVXOSRLAR-KNVOCYPGSA-N	240.043	-0.510	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2312857074	NOZXXZKOAGXHSB-BDAKNGLRSA-N	246.075	-0.614	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@@H]2CC[C@H]1C2	2313397866	LPUGGLJRMVBWCU-UTLUCORTSA-N	248.091	-0.029	50	10	BBGE	
N[C@@H]1CC[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317313059	QSUDENFHSSAHAR-ZJUUUORDSA-N	249.075	-0.563	50	10	BBGE	
C[C@@H](CN(CCO)C(C)(C)C)C(=O)NN	58848537	ICYNCBIVGUPRMO-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
NC[C@H]1CCN(Cc2cc(C(=O)NN)co2)C1	104111719	RZIIGPZQWBMLQF-MRVPVSSYSA-N	238.291	-0.336	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CCCC(=O)NN)C1	166155192	WIYNZIMRAIIZNF-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
C=C(C)C(=O)Nc1ccc(B(O)O)cc1	203810121	RQWIQBIWYIRVJG-UHFFFAOYSA-N	205.022	-0.119	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@@H]2CCOC2)c1	211803917	JLQAMTSEYIQHBQ-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(O)CC1	211804267	MTWLFHOEVHGTFA-SECBINFHSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@H](NS(=O)(=O)CCCl)C(N)=O	231059745	STHADNSLAARWEI-LURJTMIESA-N	242.728	-0.346	50	10	BBGE	
COC[C@H](C)O[C@H](COC)C(=O)NN	232418420	UOTGZKWSXCNENR-NKWVEPMBSA-N	206.242	-0.957	50	10	BBGE	
CC[C@@H]1COCCN1[C@@H](COC)C(=O)NN	232419256	HCQSHNIYQGPEJS-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NN	238497175	YTYJVAWYZBLUFS-WDSKDSINSA-N	233.268	-0.750	50	10	BBGE	
OB(O)c1cnc(C(F)(F)F)cc1O	238632641	HPTGCWWXDBDGRJ-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
COCCN(C)NC(=O)c1cccn(C)c1=O	293523917	DIEUULWMSIXMMM-UHFFFAOYSA-N	239.275	-0.392	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc([N+](=O)[O-])cc1C	302299527	LZIDTTDOKHVRBJ-ZCFIWIBFSA-N	243.223	-0.723	50	10	BBGE	
O[C@H]1[C@H]2CO[C@H]1[C@@H](CBr)O2	306202630	YOVIXEGZPWOBCY-ZXXMMSQZSA-N	209.039	-0.092	50	10	BBGE	
O[C@@H]1O[C@H]([C@H](Cl)CCl)[C@H](O)[C@H]1O	306421942	CGPKCWFLSGBABQ-QZABAPFNSA-N	217.048	-0.728	50	10	BBGE	
OB(O)c1ccc(O)c2c(O)csc12	306847847	KOMJNLZEORUXMM-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CSCCCNNC(=O)[C@@H]1COCCN1	309648386	RLCSHSYRVVBFBL-QMMMGPOBSA-N	233.337	-0.651	50	10	BBGE	
NC(=O)NN=C1[C@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23	379704306	QATDXYJSLCJZNB-XGVWYHLMSA-N	209.205	-0.408	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C(C)(C)C	381980479	AWFNVBCIPGESCM-SSDOTTSWSA-N	203.286	-0.278	50	10	BBGE	
Cc1csc(CN(C)CC(=O)NN)n1	387737978	PIOZYMOJHTUNGU-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
O=C(CCl)NCC(=O)NCC1CC1	393009190	TVZGLTSPYFOROJ-UHFFFAOYSA-N	204.657	-0.132	50	10	BBGE	
CC(C)(CCN1CCC[C@H]1C(N)=O)C(=O)NN	395721575	SJXTUTPYESVYTI-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
Nc1cc(B(O)O)c2sc(C=O)cc2c1	396279386	WTWDHOJFMFGWMQ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@H](C)C(=O)Nc1cccc(B(O)O)n1	405023069	KGLFUQZITFXOLT-ZETCQYMHSA-N	222.053	-0.254	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)NC1CC1	405069064	ACTTZAGTOUYOAH-UHFFFAOYSA-N	238.027	-0.211	50	10	BBGE	
OB(O)c1ccc2nnc(C3CC3)n2c1	584883144	IFRITBSCTIIAQH-UHFFFAOYSA-N	203.010	-0.714	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN([C@H](C)CC(=O)NN)C1	688958280	JUFYGNDFKCIFAC-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@@H](C)C(=O)NN)C1	689045454	BBQORHFZQINKGM-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
COc1ccc(B(O)O)cc1OCCN(C)C	704345394	VYCYMMCDLKWGLE-UHFFFAOYSA-N	239.080	-0.685	50	10	BBGE	
CN1CCC[C@H](CN(C)CC(=O)NN)C1	705216628	OJFBBHCPAYNOQI-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
C[C@H](CN(C)CC1CSC1)C(=O)NN	718293983	HVONTSKTEMTQNF-SSDOTTSWSA-N	217.338	-0.093	50	10	BBGE	
CC(C)N(C)Cc1nsc(C(=O)NN)n1	724350324	WTHJMFGYGUSHDZ-UHFFFAOYSA-N	229.309	-0.018	50	10	BBGE	
CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)CCl	724847643	BXJYLLHWWAMDLE-NKWVEPMBSA-N	243.712	-0.094	50	10	BBGE	
C[C@H](O)[C@@H](C)NC1=C(C#N)[C@H](N)[N]S1	725590047	WEUQVVZPCUPEBY-JCGDXUMPSA-N	213.286	-0.369	50	10	BBGE	
COCCOCC(=O)NNC(=O)[C@@H]1CC1(C)C	869908451	NODRNYALOZQNDR-QMMMGPOBSA-N	244.291	-0.157	50	10	BBGE	
CON[C@@H](C)Cc1cccc(B(O)O)c1	1088207795	HQHAIFLDQIWALC-QMMMGPOBSA-N	209.054	-0.552	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1ncon1	1251135633	RCNFBRWPMZSNLF-UHFFFAOYSA-N	227.180	-0.869	50	10	BBGE	
Cc1cncn1CC(=O)N1CC[C@H](B(O)O)C1	1329214632	JLDRCDZOLPZTOK-VIFPVBQESA-N	237.068	-0.733	50	10	BBGE	
CCOC(=O)NNC(=O)c1ccnnc1	1333756566	MNKWPROQNLUQFO-UHFFFAOYSA-N	210.193	-0.133	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccn2nnnc2c1	1464536442	AYDUVROEWYJCTH-UHFFFAOYSA-N	249.234	-0.960	50	10	BBGE	
O=S1(=O)CCN(CCN=C=S)CC1	1857565871	CUXUPONSKWMPIM-UHFFFAOYSA-N	220.319	-0.180	50	10	BBGE	
O=C(NCCN1CC[C@@H](O)C1)C(Cl)Cl	1865988387	HHAMGRZDBVTZNN-ZCFIWIBFSA-N	241.118	-0.027	50	10	BBGE	
CC(C)(C)OC(=O)N(CCO)CC(=O)NN	1879958125	NPXRRIHEFAZQBH-UHFFFAOYSA-N	233.268	-0.794	50	10	BBGE	
Cc1c(B(O)O)cc(S)cc1C(=O)O	1887520949	PBIRZKXRDHUGRL-UHFFFAOYSA-N	212.035	-0.338	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893468903	CRVFKXNNRGRYMQ-KVPKETBZSA-N	219.668	-0.263	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)C1=O	1893845680	AUQRITQIZNLSDW-SSDOTTSWSA-N	214.269	-0.488	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N1CCOC[C@H]1N=C=O	1894566990	MJKQDUVPSHGUBK-HLTSFMKQSA-N	246.288	-0.281	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCCC[C@H]1O	1895121556	KTSOBVCBCABILJ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2COC[C@H]2F)[nH]1	1896824783	WGYMOZQSOSQNIX-RFZPGFLSSA-N	247.661	-0.406	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(C)COC1	1907525898	WWZGYXIAVRUWJM-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908364848	NHPDAXDQXINKJW-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
CC[C@H]1CCN([C@H](COC)C(=O)NN)CCO1	1913637352	WLOGWTBULVTWCY-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1C[C@H]2C[C@H]2C1	1913664800	XCTIDKYRLHYWQC-OCAPTIKFSA-N	247.063	-0.755	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	1914254139	IJZIUYDBTSQZST-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
N#CC1=CCN(C[C@H](O)Cn2cc(N)cn2)CC1	1917053402	ZKUIMDIDOCSTKJ-LBPRGKRZSA-N	247.302	-0.018	50	10	BBGE	
NNC(=O)CCN1[C@H]2CCC[C@H]1CC(O)C2	1922765772	NIZMIFNGGXYJGF-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CC[C@@H](O)C1	1923209274	QLBHUPPWULSZJM-RFZPGFLSSA-N	240.181	-0.143	50	10	BBGE	
O=S(=O)(N[C@H]1COC[C@H]1Cl)C1COC1	1923212218	BQBODXZZMMQATD-RQJHMYQMSA-N	241.696	-0.689	50	10	BBGE	
C[C@H]1CSCCN1CCOCC(=O)NN	1928183053	MKOMMYNLLGFMSF-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929912321	GJVJHFIMTGQFQL-GJMOJQLCSA-N	219.260	-0.840	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC[C@H](F)C1	1930622908	SJBKGEZNRLTGIY-WHFBIAKZSA-N	205.258	-0.011	50	10	BBGE	
COC[C@@]1(O)CCN(C[C@@H](O)CCl)C1	1931628154	QIKRYSQMYHIXCR-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1CCOCC(=O)NN	1936528936	JFUZHGSTWXKQNT-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnnn1C	1939602293	UMAIAVHRHJJTEB-MRVPVSSYSA-N	226.284	-0.985	50	10	BBGE	
C[C@]1(CO)CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093488	GZNZBEINLOABLT-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@@H]1CCN(C)C1	1945911577	AKBYCZSHGLMRKV-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(F)CC(=O)Nc1ccnc(B(O)O)c1	1947081067	LSWZLYYHQKRTDP-UHFFFAOYSA-N	240.043	-0.162	50	10	BBGE	
O=C(CBr)N[C@H]1C[C@@H]1CO	1953154269	XSTDIYLKOBDDIJ-UHNVWZDZSA-N	208.055	-0.122	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CN2CC[C@H]1C2	1955278558	OJZUZDSPJYSXCK-YUMQZZPRSA-N	238.740	-0.151	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@H]2C[C@@H]21	1956876389	PYVKIDMSLLKOJG-WDSKDSINSA-N	218.640	-0.066	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@](N)(C(=O)O)C1	1957255273	DZANRXQSWUTXLL-SVRRBLITSA-N	217.656	-0.395	50	10	BBGE	
NNC(=O)CN(CCO)Cc1cccs1	1961447278	ZNEIYZDXFQEHBH-UHFFFAOYSA-N	229.305	-0.468	50	10	BBGE	
OB(O)c1cccnc1N1CC2CC1C2	1961687051	IYNVJKHKKSBXHT-UHFFFAOYSA-N	204.038	-0.640	50	10	BBGE	
C=CCCOc1nc(C)ncc1B(O)O	1961694465	OFHSDNZEBRDFOR-UHFFFAOYSA-N	208.026	-0.580	50	10	BBGE	
NNC(=O)N1CCC[C@H](N2CCOC2=O)C1	1981089693	WDMWSLDLJZQKRX-ZETCQYMHSA-N	228.252	-0.514	50	10	BBGE	
CO[C@H](C)CN(C)c1ccc(B(O)O)cn1	1981414610	UIXLOMCJPGROGX-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
COC[C@H]1CCCN1CC(=O)NNC(C)=O	1990774322	HLBBAEBDAPAYJH-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)NC1(C(=O)O)COC1	1991437864	INOWVSVIGCTDFL-NTSWFWBYSA-N	248.666	-0.234	50	10	BBGE	
O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)[C@@H]1C[C@H]1Cl	1991674641	GKOILYBSHOLCQW-IBNKKVAHSA-N	247.678	-0.044	50	10	BBGE	
CCc1ccc(C(=O)NCC#CB(O)O)o1	1992146997	YEOVQXZGVUPPGT-UHFFFAOYSA-N	221.021	-0.413	50	10	BBGE	
C=C(CN(C)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)B(O)O	1995623264	GTMGXJYIJVELSF-VRGHXPGPSA-N	219.093	-0.003	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)[C@@H]1CC12CCC2	1998136167	XYSRSAHDPHSXGE-NKWVEPMBSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](OCCO)C1	2003872552	OPEZYFVGJLZODL-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CC1(C)COCCN1c1ccc(B(O)O)cn1	2004918176	IKTODGJLTGFYPC-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC1(C)CCN(c2ncncc2B(O)O)CC1	2004919570	ASCIMBJUJOYZJE-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1cc(O[C@H]2CCCOC2)ncc1B(O)O	2004935449	NUFJBHUOTDSEHN-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cc1nn(-c2ccncc2B(O)O)c(C)c1C	2004991741	UNJWKEKFXKDWRG-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1=O	2010832217	GMERVILDPDUFST-RKDXNWHRSA-N	240.307	-0.240	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1COC2CC1C2	2011813959	XPYTZGJWOIMAJQ-UDNWOFFPSA-N	239.319	-0.134	50	10	BBGE	
CO[C@H]1CCN(c2ncc(F)cc2B(O)O)C1	2014927388	ZXCPYFSLQHLOTR-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H](CN(C)C)OCc1ccccc1B(O)O	2022709799	PNMTZDYDWYPSSK-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023851694	BHCIBAAKQVDFHQ-CNVPUSNMSA-N	239.319	-0.134	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1CCOCC(=O)NN	2025475165	CSTDFJWUYWIKFS-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1ncncc1B(O)O)C2	2026850619	XVPIAROCHWFMTE-LDYMZIIASA-N	233.080	-0.607	50	10	BBGE	
Cc1ccc(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)nn1	2029088787	FLCCCUQFZAKSTP-ONGXEEELSA-N	249.318	-0.157	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1cocn1	2031814498	CHDOEAGWQCQKLK-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
Cc1ccc(N(C)c2ncncc2B(O)O)cn1	2075983868	WREHMQLUGYIVTD-UHFFFAOYSA-N	244.063	-0.372	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccn2cnnc12	2076075643	GGDBYSRLVLTJSL-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
C=C(CN(C)Cc1cccc2ncnn12)B(O)O	2077482670	IMAAIKBGPQJKII-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
O=C(NCc1cn[nH]c1)c1ccccc1B(O)O	2079008631	LLKXSEUEBMUUEA-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1B(O)O	2079008832	BVGUPKKGUFSAER-KCJUWKMLSA-N	249.075	-0.869	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41	2086993796	IDVDRHLFYBUCNF-GOAJPOTASA-N	244.059	-0.955	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@@]3(C)C2)c1B(O)O	2087040803	JJMQRSIXZKKCRU-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cccnc1NCc1cn[nH]c1	2212602575	GOXHVWMGFVAOBA-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)C(F)F	2212604700	RHOKFNQDXVAHAG-ZCFIWIBFSA-N	230.023	-0.504	50	10	BBGE	
OB(O)c1ccnc(OCC(F)(F)F)c1F	2212606512	VIANFJYUQVLITK-UHFFFAOYSA-N	238.933	-0.158	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H](CO)CC1CC1	2213912497	SXQCODMFUWFIBZ-SNVBAGLBSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(NCc2cnccn2)c1	2217172355	JOTROCZPTJUUKL-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CCO[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C1	2217178738	ZFFTVPBBJBRLMM-MGCOHNPYSA-N	236.080	-0.259	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1C[C@@H]2C[C@@H]2C1	2217178919	CIHYKTKYTFWLHH-DOFRTFSJSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCOC2)c1F	2217179025	FHMYNEYTBHPKKU-SSDOTTSWSA-N	240.043	-0.651	50	10	BBGE	
OCCC1(Nc2ncccc2B(O)O)CCC1	2217179167	HIFIWTIHMIMTRW-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2CC2(F)F)[nH]c1	2217184020	PUQXJGKYNBIGAV-LURJTMIESA-N	243.022	-0.965	50	10	BBGE	
C#CCN(CC#CC)c1ccc(B(O)O)cn1	2217184950	SODISVDFFJVAFS-UHFFFAOYSA-N	228.060	-0.776	50	10	BBGE	
N[C@@H]1C[C@H](COc2ccc(B(O)O)cn2)[C@H]2C[C@@H]21	2223664741	ZGUHBBFXIJXUEJ-CZULRBLNSA-N	248.091	-0.877	50	10	BBGE	
Nc1ccc(CN=c2ccc(B(O)O)c[nH]2)cc1	2223669155	GVBPDPDXJKBDLC-UHFFFAOYSA-N	243.075	-0.622	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1nncn1C	2223669531	LEYRSNRJUIVCNR-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)c1ncccc1B(O)O	2223671032	GRGJNHMCSLVEQB-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
CN1CCC[C@@H]1CCNc1ncccc1B(O)O	2223672872	VBBXUWZMPZDDHA-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2223676372	AHAIVBPKMQHBLI-KOLCDFICSA-N	249.123	-0.533	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CCC1	2241468919	WZHUQLNLYJUEQA-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
O=C(CCl)N1C[C@H]2OCC[C@@]2(CO)C1	2242594669	UIOLTIRGEIGNAX-APPZFPTMSA-N	219.668	-0.165	50	10	BBGE	
CC[C@@H](O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243348173	UVUBDPVJXANZLG-JGVFFNPUSA-N	229.085	-0.341	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)s2)CC1	2243349577	NIPGRMNNUUBJNA-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
Cc1nc(C(=O)N(C)C2CC2)c(B(O)O)s1	2243358883	LOYZHYLWQWCIAF-UHFFFAOYSA-N	240.093	-0.634	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC2CC1C2	2243377996	KXGRPROUSFGMRR-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
Cc1sc(C(=O)NC[C@H](C)F)cc1B(O)O	2243381078	BWAWPTMGBZEVMY-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
Cc1noc(CNC(=O)C2(B(O)O)CC2)n1	2243411485	UTYPQCGNOVBEDL-UHFFFAOYSA-N	225.013	-0.999	50	10	BBGE	
C=C[C@@H]1CCCN1S(=O)(=O)CC(=C)B(O)O	2243411980	DLTSMMJFIIFKGR-SECBINFHSA-N	245.109	-0.465	50	10	BBGE	
C[C@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415860	DIRQYKVZSCCBQM-HXFLIBJXSA-N	226.085	-0.894	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)C1(B(O)O)CC1	2243698977	XBYZIAMGHJHRGQ-QMMMGPOBSA-N	228.101	-0.515	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)NCCC#CB(O)O)C[C@@H]12	2244550745	VPFCBJNEIBUPSJ-YWVKMMECSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H](O)CN(C1CCC1)[C@H](C)CC(=O)NN	2244881016	BUHAVZDQKXIVOD-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2245118791	XTDYDIGBAYBTEB-KZVJFYERSA-N	227.069	-0.779	50	10	BBGE	
O=C(NCc1ccco1)c1coc(B(O)O)c1	2247722318	LHKUPWRQLOJJFV-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@H]2CC[C@H](C1)C2	2247741771	FPLBMHRDUOPHTJ-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247750074	DNQHMEWYFRRHLB-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@H]1CCCCN1)C(=O)C1(B(O)O)CC1	2247756065	LYWDPWFKKIPWHI-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cncc(B(O)O)c1	2247776504	ZPMHIEWWCCGQSL-UHFFFAOYSA-N	238.027	-0.683	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247787223	MGGGXSCKULMYFL-MQIGXGKASA-N	241.096	-0.221	50	10	BBGE	
CCOC(CNC(=O)[C@@H]1C[C@H]1B(O)O)OCC	2247798031	PODAGRCHQFGIJB-HTQZYQBOSA-N	245.084	-0.635	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247800496	PPRQACDOHYSSLF-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805014	AEXAIPKBFKDYCF-ZYUZMQFOSA-N	243.112	-0.237	50	10	BBGE	
O=C(NCCN1CCCCC1)[C@@H]1C[C@H]1B(O)O	2247808388	USYFFPIFPYWLJZ-NXEZZACHSA-N	240.112	-0.549	50	10	BBGE	
O=C(C#CB(O)O)NCCc1ccc(O)cc1	2247850379	NQOUFSWATDEETG-UHFFFAOYSA-N	233.032	-0.934	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccncc1B(O)O	2247872651	WREOTQIFQCZNMO-SFYZADRCSA-N	234.064	-0.758	50	10	BBGE	
O=C(N1CCOC[C@H]1C(F)F)C1(B(O)O)CC1	2247873846	MQCBDLRALMHXSL-LURJTMIESA-N	249.022	-0.514	50	10	BBGE	
CO[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887789	RQSUNXLAVZAUSM-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCCn1cccc1)[C@H]1C[C@H]1B(O)O	2247897853	XKROYVMUWCSWCP-VHSXEESVSA-N	236.080	-0.143	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(C1CC1)C1COC1	2247904601	QOFOIAASNXLAAD-OCAPTIKFSA-N	239.080	-0.371	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1ccccc1B(O)O	2247954171	VJTDEUWTEQGHCR-QMMMGPOBSA-N	232.048	-0.490	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2248573842	KGGGAKQBQWERKN-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
CCCCNC(=O)c1ncc(B(O)O)cc1C	2248968182	JFBRAIPTZOIWGQ-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1c[nH]nc1B(O)O	2250880334	YPRILHAELCAOFR-SSDOTTSWSA-N	237.068	-0.969	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2255465961	RHQMADBROVSOSS-JTQLQIEISA-N	246.075	-0.678	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2255714160	MTRSMHWQVBFQIL-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cc(F)ccc1B(O)O	2255725957	AFCVLGSSORJJJF-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ncccn1	2255727317	NXPFMJOLOPMUOI-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1coc(B(O)O)c1	2255732950	CYGDOICPLXWLOZ-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC2(CC2)C1	2255734954	KFFQZCOSDFIZER-UHFFFAOYSA-N	248.091	-0.576	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3occc3B(O)O)C[C@@H]12	2255737740	INVPGNMXOHTKHE-VGMNWLOBSA-N	249.075	-0.313	50	10	BBGE	
O=C(NCC1CCC1)c1ccc(B(O)O)cc1O	2255952660	WQNNQEGKOAKVAL-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1nccnc1B(O)O	2256055382	IGYDFNIBECXFQK-SFYZADRCSA-N	249.079	-0.925	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258123491	PNHAZAOBFXTNPJ-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cocc1B(O)O	2258128095	NUUQAMXEEFGWDX-BMQIKNLXSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CCC[C@H]21	2258129867	ZCBYSEPORAJFIU-GZMMTYOYSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369062	HRZCRULUSFDFLF-JXUBOQSCSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)C1CC(B(O)O)C1	2298371306	HMFLZLDDPKXEJZ-HVUYTDGYSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1CO	2298376880	UXNLSFRXFJXLFC-JLIMGVALSA-N	241.096	-0.674	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCOCC1=O	2300384315	PZVKLPKJTHAXNV-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@@H]2COC[C@@H]21	2300400541	SYWQKNASQUXVNI-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](CCO)Nc1ccc(C=O)c(B(O)O)c1	2301420730	KREMABSZARCFLJ-MRVPVSSYSA-N	237.064	-0.638	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303107772	BYPFCLIOLOQXSD-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CCNC(=O)C2)C1	2303145114	UEHKBRUCXPSACB-GXSJLCMTSA-N	240.112	-0.549	50	10	BBGE	
CC[C@@](C)(CN1CC(C)(C(N)=O)C1)C(=O)NN	2303421026	GSKGNEABCGMNSQ-JTQLQIEISA-N	242.323	-0.800	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1c1ncccc1B(O)O	2314228683	RGDJMWRQYMYNOK-MNOVXSKESA-N	248.091	-0.723	50	10	BBGE	
CCN(c1ccc(B(O)O)cc1C#N)C1COC1	2317150245	CLJOQECKPGUBQD-UHFFFAOYSA-N	246.075	-0.537	50	10	BBGE	
N#CC(=CNCCCO)C(=O)NCCCl	2318462939	TVGMHLNMGWBTHY-UHFFFAOYSA-N	231.683	-0.279	50	10	BBGE	
Cc1cn([C@H](C)C(=O)NN)nc1[N+](=O)[O-]	70218730	OIZNGJVGOWCPKS-RXMQYKEDSA-N	213.197	-0.349	50	10	BBGE	
O=C1CC[C@@H](NC(=O)CCl)C(=O)N1	82256652	NYESXGKCMBKZEM-SCSAIBSYSA-N	204.613	-0.853	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C(=O)NN)C(C)C	82470129	FJWHYGNCQGINNU-VIFPVBQESA-N	230.312	-0.931	50	10	BBGE	
CNC(=O)CCNS(=O)(=O)CCl	82513179	NRQUNGVQASKCCZ-UHFFFAOYSA-N	214.674	-0.762	50	10	BBGE	
CC[C@H](N)CSC[C@@H]1CC[C@H](C(=O)NN)O1	85346982	UKLOBLRTOKQKPK-XHNCKOQMSA-N	247.364	-0.006	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C(=O)C1(C)C	94866981	AJFINQJTPWWGOD-QMMMGPOBSA-N	242.323	-0.693	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC2CC2)CC1	104108930	HTBIODNJDVELOI-LLVKDONJSA-N	240.351	-0.218	50	10	BBGE	
CN(C)C(=O)N1CCC(=NNC(N)=O)CC1	132931177	VDNXWFMQYRRCEZ-UHFFFAOYSA-N	227.268	-0.212	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C	134003827	URMYWHDLDAIONW-PHDIDXHHSA-N	200.238	-0.064	50	10	BBGE	
COCC(=O)NCCNC(=O)C(Cl)Cl	169919291	VMUWSVVPQOBJFC-UHFFFAOYSA-N	243.090	-0.331	50	10	BBGE	
Cc1ccc(/C=C/C(=O)NNC(=O)CO)o1	182741297	DSSGBAWPVMUVRF-SNAWJCMRSA-N	224.216	-0.259	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)c1cncnc1N	192334794	XFBASUFDVBKDGR-UHFFFAOYSA-N	237.263	-0.134	50	10	BBGE	
CCN(C)Cc1cc(OC)ccc1B(O)O	203571264	NXVZRTYTYJUXGU-UHFFFAOYSA-N	223.081	-0.173	50	10	BBGE	
OB(O)c1cccnc1-c1ccccn1	203575235	ZNAYQUPZDRKNOZ-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC(C)(C)OC(=O)n1ccnc1B(O)O	210405374	ZOHWQKBDNYMSIL-UHFFFAOYSA-N	212.014	-0.654	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](O)C1	216482186	AXEVCXCSBJUQNV-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CC(N)=O)NS(=O)(=O)CCl	220595008	SJNGJUHDIDQQFM-BYPYZUCNSA-N	214.674	-0.634	50	10	BBGE	
Cn1cc(OC[C@@H]2CC[C@H](C(=O)NN)O2)cn1	227957656	MLOXNNGXFJMZKX-IONNQARKSA-N	240.263	-0.664	50	10	BBGE	
COC[C@@H](CCO)NC(=O)CBr	228332832	RTQGXFSEZLOWSI-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
C[C@H](N)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228648132	AFINQZMQMVWKJE-FXQIFTODSA-N	233.337	-0.396	50	10	BBGE	
COC[C@H](OC1CCOCC1)C(=O)NN	232418320	GDGFQMBCIYXANZ-QMMMGPOBSA-N	218.253	-0.813	50	10	BBGE	
COC[C@H](Sc1ccncn1)C(=O)NN	232421621	KZBZOMCSMSMEFL-LURJTMIESA-N	228.277	-0.426	50	10	BBGE	
C[C@@H](Oc1ccc(CCO)cc1)C(=O)NN	235269137	RIYWAZPWQGGTNH-MRVPVSSYSA-N	224.260	-0.021	50	10	BBGE	
CN1CCC(CN(C)C(=O)NN)CC1	258846443	WXAXCEYFTRTNHB-UHFFFAOYSA-N	200.286	-0.157	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1C	300000201	ZMRQEJVVIDYUHK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COc1cc(CNC(=O)NN)sn1	307616018	RLWBAVIWNHEEHM-UHFFFAOYSA-N	202.239	-0.175	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(CC)CC1	307862102	JREUHRWKMSKLEH-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)[C@H]1CCOC1	381226285	HHBZMYXDLMVJIP-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CC(=O)N/C(=C\c1ccco1)C(=O)NN	389508282	GVHBCJISRCWLLP-YVMONPNESA-N	209.205	-0.254	50	10	BBGE	
Nc1csc2c(C(=O)O)cc(B(O)O)cc12	396246074	RVAYBSFLNXDFKV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1cc(B(O)O)cc2c(O)csc12	396346341	QSWHQZQRDRVDTD-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CCCC(=O)NN	399399996	GEODEPOWBDMFEF-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCCO)C1CC1	404250946	MVMZGADCKXHLDI-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CCCO1	404903586	ATHZGARRMRKKII-JTQLQIEISA-N	235.048	-0.516	50	10	BBGE	
CN(C)C(=O)NCc1cc(B(O)O)cs1	405153361	UOYZFQZCRAAGMO-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CN(C)C)C1)C(=O)NN	689159455	ONXFCFPJFVJUQP-UWVGGRQHSA-N	228.340	-0.504	50	10	BBGE	
C[C@H](Cn1ccc(B(O)O)n1)C1CCC1	694230557	WNXNVENZRRROSI-MRVPVSSYSA-N	208.070	-0.001	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOC[C@@H]1CO	695062459	QYBKYCAOPVAZBQ-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
CC(C)O[C@H]1CCN(CC(=O)NN)C1	701686622	WLNGONKYRIEMMF-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
O=C(NCB(O)O)C1Cc2ccccc2C1	701953002	YLOMMHVMVTZRCH-UHFFFAOYSA-N	219.049	-0.470	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCCN1S(C)(=O)=O	707533750	AYWPIRWBDNTWIK-ZETCQYMHSA-N	235.309	-0.867	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1C(C)(C)O)C(=O)NN	707557829	LDCRUZJUQQCYGA-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCN1CC[C@@H](NC(=O)CCl)C1=O	708641064	JFVAMGZCLBIPAN-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710474391	FGQXBYZFXQISEY-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)[C@H]1CCCO1	817214234	FCFMTLACWYEHDR-QIUOEGRZSA-N	228.248	-0.485	50	10	BBGE	
CNC[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	821980425	FOSVJUXSOMAYJY-SECBINFHSA-N	225.292	-0.281	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=Cc2ccnc(O)c2)N1	863150693	BAJBWIHAMRXXSF-QMMMGPOBSA-N	248.242	-0.484	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)c1cn(C)nn1	869226365	NVSSGYCLWOHKPT-XQRVVYSFSA-N	241.226	-0.161	50	10	BBGE	
CNC(=O)NNC(=O)CCc1ccncn1	1292011564	UTLVPZCLTRDGOO-UHFFFAOYSA-N	223.236	-0.631	50	10	BBGE	
CCn1cncc1C=NNC(=O)c1cn(C)nn1	1327687678	IYFBORARBBMXQB-UHFFFAOYSA-N	247.262	-0.205	50	10	BBGE	
CCCOCC(=O)NNC(=O)c1ncccn1	1436868328	URHMDVIXTBURCS-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)Cn1nccc1N	1540980942	PPODYZPOSKZTKO-UHFFFAOYSA-N	239.279	-0.341	50	10	BBGE	
C/C(Cl)=C\C(=O)NNC(=O)c1cnn[nH]1	1543026396	CCPLOTLFLQYAHL-DUXPYHPUSA-N	229.627	-0.292	50	10	BBGE	
NC(=O)c1c[nH]c(C(=O)NNc2ccncn2)c1	1556681450	HZRDPNFFUPDRNX-UHFFFAOYSA-N	246.230	-0.340	50	10	BBGE	
CC(=O)NNC(=O)c1nc[nH]c2nccc1-2	1587582331	VVEXHTFCCBNHOD-UHFFFAOYSA-N	219.204	-0.310	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)C(C)(C)O	1616526441	FMCFVICFALURSQ-UHFFFAOYSA-N	229.280	-0.978	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H]1CCN1CC	1626982508	KQTDDKCWWKLDQX-MRVPVSSYSA-N	228.296	-0.179	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1ccnnc1	1639371978	SQHPCPYIZRVXER-SNVBAGLBSA-N	238.247	-0.601	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1cc(C)nc(N)n1	1643159834	UIOHWFRDRJITKY-QMMMGPOBSA-N	249.274	-0.151	50	10	BBGE	
CN1C[C@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1883555518	XSYRLSGSQAZFEB-BGZDPUMWSA-N	204.701	-0.122	50	10	BBGE	
NC(=O)COCCNC[C@H]1C[C@@H]1Cl	1883567313	OIWDCSJZBPEGHV-RQJHMYQMSA-N	206.673	-0.295	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	1884452758	SBOPDZRXPSQYPR-KVQBGUIXSA-N	215.278	-0.724	50	10	BBGE	
CC1(C)[C@@H](O)[C@H](O)CN1C(=O)CCCl	1885617640	YXQZZLJVPJDYCT-SVRRBLITSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1CF	1885914459	DIOZXTXUWQLZCJ-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
OB(O)[C@H]1CCN(CCOCCF)C1	1891493040	RQYVTRZDUSFXKG-QMMMGPOBSA-N	205.038	-0.479	50	10	BBGE	
CC(F)(F)CC(=O)NCC=CB(O)O	1892918717	BUSZYUQYQFHCOT-UHFFFAOYSA-N	206.985	-0.284	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(C1CC1)C1COC1	1894458385	PGEOPFFHYODSCC-OIBJUYFYSA-N	225.292	-0.524	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)Cc1nnn(C)n1	1894762852	ZZCQDYRWUXILAO-YFKPBYRVSA-N	217.660	-0.204	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(CN)C[C@@H]1C	1901341306	SPRYAVNTWUFANZ-CBAPKCEASA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@H]1CCNC1(C)C)S(C)(=O)=O	1901375619	ONPQHIKGSFXKIO-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
Cc1ccc(=O)n(C[C@H](C)C(=O)NN)n1	1912237083	LQIGOCUHRINLRH-LURJTMIESA-N	210.237	-0.822	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CC[C@H](O)C2)CC1	1914062865	OQTBKNJCAHUWDB-VIFPVBQESA-N	239.275	-0.477	50	10	BBGE	
COC[C@@H](ON)C(=O)N1CC=C(C#N)CC1	1917086661	KKMQQUPHNXGIMT-SECBINFHSA-N	225.248	-0.426	50	10	BBGE	
NC(=O)NNC(=O)C(=O)NCc1ccccc1	1923203019	FIWJNSCGDCXBQP-UHFFFAOYSA-N	236.231	-0.998	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)C(F)(F)F	1923421053	QFYZDNBYHICPIM-UHFFFAOYSA-N	228.170	-0.143	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@H]1C[C@H]1C(=O)NN	1927917063	IEWHFPQDWDXCLJ-BGZDPUMWSA-N	214.265	-0.336	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1928000587	UMEUKQKZILYKKQ-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1928000588	UMEUKQKZILYKKQ-FNCVBFRFSA-N	213.281	-0.790	50	10	BBGE	
CN(C)[C@H]1CN(CCOCCCl)C[C@@H]1O	1928376012	CCQCEEPOPYTBIM-UWVGGRQHSA-N	236.743	-0.152	50	10	BBGE	
COc1cc(OC)n([C@H](C)C(=O)NN)n1	1930289756	OSHRPZASQGNUML-RXMQYKEDSA-N	214.225	-0.549	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NCB(O)O)S1	1931579933	DAAFIKCVAQUKAA-WDSKDSINSA-N	203.072	-0.601	50	10	BBGE	
CC1(C)[C@H](O)CCN1CC(F)(F)C(=O)NN	1935932903	UQGDFLPIHYFZEP-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1	1936028603	IUMMUVRADODZAW-RXMQYKEDSA-N	223.236	-0.786	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)CC1CC1	1936089511	DAHYXBYSEGFDIJ-VHSXEESVSA-N	227.308	-0.683	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@H]21	1941372208	HXOMDQOBHJGXMK-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
CN(C)[C@H]1CCCN(CCOCC(=O)NN)C1	1941784340	NNTBDKZGBRRMME-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(=O)NC(C)(C)C1	1945293088	JELBTCIVXAVSNR-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1COCC[C@H]1C	1947204026	QPPMNGPTOXOQGV-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
O=C(OCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955547977	FDFLHVWBPBNLAA-VWDOSNQTSA-N	221.640	-0.255	50	10	BBGE	
C[C@H](O[C@H]1COC(C)(C)C1)C(=O)NN	1956934261	CQDFNMCVWSOCNZ-NKWVEPMBSA-N	202.254	-0.051	50	10	BBGE	
COCCOC[C@@H]1CCN(C(=O)NN)C1	1958317910	PGHNCUDBAOTKOM-MRVPVSSYSA-N	217.269	-0.445	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(CCC(=O)NN)C1	1958494965	OWHQITNNSCRRMK-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)N[C@@H]1CCCN(C[C@H](O)CCl)C1	1960162919	HMSNCJKXUBRGKT-HTQZYQBOSA-N	235.715	-0.281	50	10	BBGE	
CCN(CC)[S@@](C)(=O)=NCCC(=O)NN	1960617841	LCDNIVSFLANBCK-HNNXBMFYSA-N	236.341	-0.279	50	10	BBGE	
Cc1nnc(CN(C)CCC(=O)NN)o1	1961476478	SUAFXFQJHFLPFQ-UHFFFAOYSA-N	213.241	-0.810	50	10	BBGE	
Cn1ccnc1[C@H]1CCN(C(=O)NN)C1	1961476924	ZQZBOXLZELVHQS-ZETCQYMHSA-N	209.253	-0.207	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]2CC[C@H]21	1961655593	WWHQHQSTVUUUCC-XLPZGREQSA-N	211.265	-0.329	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@@H]21	1961696911	TTYISWBMVVNGMK-XCBNKYQSSA-N	204.038	-0.640	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(F)(CO)C1	1961737280	LYCBKBOYNZXKRN-BQBZGAKWSA-N	219.260	-0.983	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC=C[C@@H]1CCl	1975267488	CEZBFSLLZFNGOK-ZCFIWIBFSA-N	248.695	-0.027	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CCC(O)CC1	1976630229	XCMQROFBTRVQFO-UDNWOFFPSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ncno1	1976743769	CENARWTWADSRHM-RQJHMYQMSA-N	227.268	-0.484	50	10	BBGE	
CCCc1ncc(CNC(=O)C(=O)NN)o1	1976804728	HLBRZBZZTIAENF-UHFFFAOYSA-N	226.236	-0.767	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)C1	1979176513	UAXAVFIDDCNYSP-DTORHVGOSA-N	226.276	-0.288	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@]2(C1)NC(=O)NC2=O	1980854542	SWQNOANGQUPARO-RCOVLWMOSA-N	242.666	-0.599	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(O)(C(F)F)C1	1981254582	NZJATELSEMUOPX-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1ncc(B(O)O)cn1	1981410162	WODBPPBZFIMWAX-ZETCQYMHSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]3C2)nc1	1981412703	XKIYSJHVAFOQKV-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H]2CO)C1	1985356398	DSYOBUIJCWQNEY-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1COC2CC1C2	1986053751	XHEAWPUVSOYBAF-QLEHZGMVSA-N	227.308	-0.136	50	10	BBGE	
COC[C@H](O[C@H]1C[C@@H](N(C)C)C1)C(=O)NN	1986221029	IERLAIBKAVCRCF-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
C=C(CCl)CN1CC([C@H]2NC(=O)NC2=O)C1	1986669380	KSNHLEKDCSYPPT-MRVPVSSYSA-N	243.694	-0.079	50	10	BBGE	
Cc1ccnc(C)c1CNC(=O)C(=O)NN	1987049790	IDEXWFYDHSGJFR-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC1CC1)C1COC1	1990127564	NLKHGRYBUFUUSA-SNVBAGLBSA-N	227.308	-0.134	50	10	BBGE	
C[C@]12CO[C@](Cn3ccc(B(O)O)n3)(C1)C2	1990304749	MLCVTJNCLANDBB-AOOOYVTPSA-N	222.053	-0.868	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CO[C@@H]2CNC[C@H]21	1991452321	UALWVATWAQYXPK-GENCIFFESA-N	244.722	-0.036	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@H]2CNC[C@@H]12	1991647515	FIWMWDIAUREKGU-RNJXMRFFSA-N	244.678	-0.589	50	10	BBGE	
OB(O)c1cnc(Sc2ccnnc2)nc1	1992766511	NNYNNNSCGNHGBH-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
CC(C)ONC(=O)c1ccccc1B(O)O	1992837531	ZLBIKYKIRGVYPB-UHFFFAOYSA-N	223.037	-0.564	50	10	BBGE	
CCN(CC)C[C@]12C[C@](C(=O)NN)(CO1)C2	1993891458	QYKGVBUJJDECAQ-XYPYZODXSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)CCC12CCC2	1994869281	UYDNGEJCFJPRTK-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)CC12CC2	2003743997	JOTODYIVDROAJC-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(n2cccn2)CC1	2004042679	XUCGCMLXEHFMPU-SECBINFHSA-N	237.307	-0.102	50	10	BBGE	
CO[C@H](COc1ncccc1B(O)O)C(C)C	2004954157	ZOMXCUXIABSKBM-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
CCN(CC)[C@@H](C)COCCOCC(=O)NN	2007009125	SVZBPOHFSUSQNL-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CO[C@@H]1[C@H]2CCN(C(=O)C(=O)NN)[C@H]2C1(C)C	2008773395	UCGFWFZNKXUHKQ-XLPZGREQSA-N	241.291	-0.752	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)C12CCC2	2016081419	VFHVDWPROJWEBT-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2016362506	SJIJGUSVYCLGOQ-KANREYFESA-N	239.319	-0.421	50	10	BBGE	
COC[C@@H](O[C@H]1CN2CCC1CC2)C(=O)NN	2021067969	LGFGGYJJEDUXKS-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
C[C@H]1CCCC[C@@H]1NC(=O)NCC#CB(O)O	2021105003	NOWXUEFEWCCDLZ-UWVGGRQHSA-N	238.096	-0.120	50	10	BBGE	
C=C(CN1CCO[C@@H]([C@H]2CCOC2)C1)B(O)O	2021159167	OLAXXSIJASSEFL-WDEREUQCSA-N	241.096	-0.708	50	10	BBGE	
C=C(CN1CCOC[C@H]1[C@H]1CCOC1)B(O)O	2021159601	VZIAMIRAPHYURX-QWRGUYRKSA-N	241.096	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@H]3CCC[C@H]2C3)n1	2021408961	KSIQNTXAQBIFLL-IUCAKERBSA-N	233.080	-0.404	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H](C2)O3)n1	2021436184	ZDTHYDKGANJWPJ-KNVOCYPGSA-N	238.247	-0.749	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1	2028425798	LCFZXCXNZDRCNY-HTQZYQBOSA-N	247.063	-0.755	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@H]2C[C@@H]21	2052474372	ZPORZQDNEKWKFB-ATZCPNFKSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)nc1	2052490598	CUGWFSXRJZOBON-RPJMYOHSSA-N	246.075	-0.420	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C3CCC3)C2)n1	2052617641	GVPQZQWMRLKXAO-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
O=Cc1cc(F)c(B(O)O)c([N+](=O)[O-])c1	2060056103	LNKHDTJEVFRJID-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COc1cc(B(O)O)cc(OC)c1OC(F)F	2060186652	SKRHKILSRQZSOZ-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
COC[C@@H](C)N(C)Cc1ccc(B(O)O)s1	2211078310	MFFDOQVOBWLUDV-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)[C@H]1C[C@@H](O)C1	2212783743	QXKOKRLQUKQIEL-KNVOCYPGSA-N	240.263	-0.767	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2OC[C@H]3CCC[C@H]32)c1	2213224120	YUGCBGOPAQXWPU-IEBDPFPHSA-N	236.080	-0.622	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	2214995127	SKLHEISVYCBOJP-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)CCCC1=O	2215771879	KLSQXOFMCJEQIJ-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H](O)C[C@@H](F)C1	2215775494	HHRBCOZPMQIUST-JXUBOQSCSA-N	245.298	-0.593	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215777324	RZHDJFCEFKYKHK-ZDCRXTMVSA-N	241.335	-0.295	50	10	BBGE	
COC[C@@]12CN(CCC(=O)NN)C[C@@H]1CCO2	2217035995	FQOGOJABPXWJEW-ONGXEEELSA-N	243.307	-0.896	50	10	BBGE	
COCCC1(Nc2ncc(B(O)O)cn2)CC1	2217171348	AXCZTIXXLSWHRG-UHFFFAOYSA-N	237.068	-0.863	50	10	BBGE	
Cc1cnc(N2CCO[C@@H](C)C2)cc1B(O)O	2217178809	BAHJOEXXOJJTGS-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1nccc(B(O)O)c1F	2217181188	YNQAZMIBCVPKLP-POYBYMJQSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(OC[C@@H](N)C2CC2)cc1B(O)O	2217184781	VZHMMEGXNXKJKC-SNVBAGLBSA-N	236.080	-0.814	50	10	BBGE	
CC(C)[C@@H](N)COc1nccc(B(O)O)c1F	2217186759	ORMIFSHGYXFEBN-QMMMGPOBSA-N	242.059	-0.737	50	10	BBGE	
OB(O)c1ccnc(OCCNCC2CC2)c1	2217187295	WARVBOWXZHRLNF-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
CN1CC[C@H](COc2cc(B(O)O)ccn2)C1	2217187608	BDQMGNHEVXRMLY-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
CNC1CC(COc2cc(B(O)O)ccn2)C1	2217193404	MOVGBNFVNHWTMS-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Nc1ncccc1B(O)O	2217200959	BQCZVKXUFYMMNC-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
CC[C@H](C)[C@H](O)CNc1ncccc1B(O)O	2217201189	CPUOKFFLBJELHV-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccc(=NCc2ccc(O)cc2)[nH]c1	2223639758	GPHVSSWKENCKDU-UHFFFAOYSA-N	244.059	-0.499	50	10	BBGE	
CCCN(c1ncccc1B(O)O)[C@H]1CCNC1	2223667864	VQILQJMFUFTJSJ-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC2(CCC2)[C@@H]1O	2223667880	VRBOJYSLYUBXSR-VHSXEESVSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H]2CCCCN2)c1	2223671335	KEZNFSAXCPMPJR-LLVKDONJSA-N	249.123	-0.295	50	10	BBGE	
N[C@H]1CC[C@H](CCN=c2cc(B(O)O)cc[nH]2)C1	2223675977	VAWBBVVHRFECBR-KOLCDFICSA-N	249.123	-0.887	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12CC[C@@H]1CNC2	2223676761	FTJWMYRAZDFAHV-BXKDBHETSA-N	247.107	-0.827	50	10	BBGE	
Cc1ccnc(C)c1Nc1ncc(B(O)O)cn1	2223679007	KQUAJJYEXWXGGX-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
N[C@H]1C[C@@]2(NC(=O)C=CC(=O)Cl)CO[C@H]1C2	2243278444	YNALASRPJYZMMN-BYULHYEWSA-N	244.678	-0.317	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)C#CB(O)O)C1CC1	2243348959	CPGCQURRQQCAEZ-JTQLQIEISA-N	223.081	-0.057	50	10	BBGE	
CC(C)(C)[C@@H](O)CNC(=O)C1(B(O)O)CC1	2243358911	LWSYFUNGFVBEAV-ZETCQYMHSA-N	229.085	-0.483	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2243364417	WXIMNWZBNWTLJI-JGVFFNPUSA-N	226.085	-0.798	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)F)c(B(O)O)s1	2243378077	MCZDWGXOLLJBFD-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H]2C1=O	2243392797	XGCUFAVFGIQIAV-PQFASMLDSA-N	223.037	-0.756	50	10	BBGE	
CN(C(=O)c1nscc1B(O)O)C1(C)CC1	2243397863	KLYVRQMPXNSYMB-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccncc1Cl	2243399894	SCADONYJFLFAQM-UHFFFAOYSA-N	238.439	-0.633	50	10	BBGE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CC1	2243407968	DFNIIQNSDYZCBI-RNJXMRFFSA-N	225.053	-0.713	50	10	BBGE	
O=C(NCc1ccncc1)[C@H]1C[C@@H]1B(O)O	2243415462	VJUQKSPLDQGXCS-IUCAKERBSA-N	220.037	-0.439	50	10	BBGE	
C#CCC(=O)Nc1cc(C)ccc1B(O)O	2243664902	OOBKXTUVLATXPM-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
CC(C)N(CC(N)=O)C(=O)C1(B(O)O)CCC1	2247734614	UJFFUKXLOFHEHS-UHFFFAOYSA-N	242.084	-0.894	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1ccoc1B(O)O	2247739970	DODGDYUHDXAXBF-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
C[C@H]1CCC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2247741523	BECCAPRLHYSUHH-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1CC(CO)C1	2247758248	UQICQMWHMAMDCQ-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccc(F)cc1B(O)O	2247759768	WIPWYQUAFINWLQ-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247786518	BVHLBQOMHNPLRL-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@H]2C)c1B(O)O	2247789393	VNKOCFFRWRQVCZ-MRVPVSSYSA-N	234.064	-0.696	50	10	BBGE	
Cc1cccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247803390	AUVLUCYUGZPEBZ-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(CC2CC2)C1	2247847407	WRTYEUBRIYTJGH-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)C1	2247852611	WXFXSRPYWSNJSP-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cc1F	2247868587	WBGDIECWMWXLFI-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@H]1C(NC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2247875002	VOHBRBGDHWHFQM-RNFRBKRXSA-N	234.064	-0.854	50	10	BBGE	
C[C@@]1(CCO)CCN1C(=O)C1(B(O)O)CCC1	2247877407	AJOQCBJDZFESDS-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CCC2)CCNC1	2247879061	PUUDRMVPXIUNMI-SNVBAGLBSA-N	240.112	-0.501	50	10	BBGE	
O=C(NCc1ccccn1)[C@H]1C[C@H](B(O)O)C1	2247886957	IGRBXTKVMDQFPB-KYZUINATSA-N	234.064	-0.049	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCC2(CNC2)C1	2247898123	AOCHQINONOWLJD-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903174	IWUPZCPVKMZAEB-UTINFBMNSA-N	240.112	-0.375	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2cc(B(O)O)co2)C1	2249415812	JHDJWFGTUGQHTJ-GVJMRKKJSA-N	241.027	-0.420	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2251073330	HKTSVSPYTGXENR-KYZUINATSA-N	242.128	-0.304	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1ccc(B(O)O)o1	2255461931	OMGUSNCCZWASRA-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]1n1ccnc1	2255469764	UIRVOKROQAFCFY-ZJUUUORDSA-N	247.063	-0.892	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ncc(B(O)O)cn2)C1	2255470614	HHJNKEHSNDITSP-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC3(CC3)C2)n1	2255486349	ZFJNFDMYQVQVGG-UHFFFAOYSA-N	246.075	-0.694	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ncccc1B(O)O	2255519913	CZQPUGQDOJNHLO-UHFFFAOYSA-N	244.059	-0.977	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@@H]2CCC[C@@H]21	2255553034	SMQJNAWNBDWCEY-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@H](C)C#N	2255683146	RIBGNSFWYURBBQ-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(F)ccc1B(O)O	2255726871	IBSDUFMGLMVCGT-SECBINFHSA-N	249.050	-0.046	50	10	BBGE	
O=C(NC1CC(c2ncc[nH]2)C1)[C@H]1C[C@@H]1B(O)O	2255770113	OICLXVTYAXEHHK-PEBLOWIWSA-N	249.079	-0.365	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ncc(B(O)O)cn2)C1	2255774935	MWSOGMZEYDALAN-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@@H]21	2258128261	OYYWWRCZKWZIQY-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
CC1(C)CN[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376441	WJMMDFGZALYXQC-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2298376491	YTKGZDPAIZYZDA-HMELBQQSSA-N	241.096	-0.223	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN(CCCC(=O)NN)C2	2299131111	FIBUZYIPNZZSCG-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC#CC(=O)N1CCc2scc(B(O)O)c2C1	2299780159	FIDNFKFLUZPFTH-UHFFFAOYSA-N	249.100	-0.664	50	10	BBGE	
C[C@H](CO[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	2301615337	XLYVGOLKRDJRFA-HLTSFMKQSA-N	239.279	-0.376	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N2CC[C@@](C)(B(O)O)C2)C1	2303110879	DWMIPNLMECMQMS-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2nccn2CC1	2315468665	DORONKGBNQSJKK-BDAKNGLRSA-N	249.079	-0.869	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1c1ccc(B(O)O)cc1C#N	2317163237	WSGMFIHFMSAOMZ-GZMMTYOYSA-N	245.091	-0.836	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@H](O)C2)cc1B(O)O	2317309353	RUPDYAIZHJLKEL-ONGXEEELSA-N	249.075	-0.496	50	10	BBGE	
OB(O)c1cc(-n2cnc(C3CC3)n2)ncc1F	2320782499	YQMHXWWFNKVFQN-UHFFFAOYSA-N	248.026	-0.641	50	10	BBGE	
OB(O)c1cc(=NCc2ccncc2)[nH]cc1F	2320796999	SCAJCGNCECVDOM-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCNC(=O)C1	54711142	WOTKBLAQPDHYNL-LURJTMIESA-N	204.657	-0.180	50	10	BBGE	
NNC(=O)CCC(=O)NCCCn1ccnc1	58853213	MMMXUNHBVBDTAP-UHFFFAOYSA-N	239.279	-0.841	50	10	BBGE	
CN(CCO)Cc1cc(C(=O)NN)co1	82468862	KGCGQNJJGNNWPK-UHFFFAOYSA-N	213.237	-0.693	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C(C)C	82470809	YJKUEPGDSIHBMB-MRVPVSSYSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)[C@H](C)C1	82485307	RCGNSYMXPSTYGE-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccc(C(=O)N(C)C)n1	85196545	XUEWUMYUWFQRJX-SSDOTTSWSA-N	239.279	-0.474	50	10	BBGE	
NNC(=O)c1occc1CSC[C@@H](O)CO	86661916	XZVHCYHROWPQGQ-ZETCQYMHSA-N	246.288	-0.531	50	10	BBGE	
CNCCCN(C)CCCC(=O)NN	87472913	YNDQPBJBAYNOOF-UHFFFAOYSA-N	202.302	-0.702	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCO[C@@H](CCl)C1	88096210	GZRUYYSLGMCGIM-DTWKUNHWSA-N	249.694	-0.132	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2cnnc2C1	93072331	VEBBJPVLXXBUOB-SFYZADRCSA-N	238.295	-0.892	50	10	BBGE	
Cc1oc(C)c(C(=O)NN)c1C(=O)NN	141469543	KYHGRVDYZRTFQP-UHFFFAOYSA-N	212.209	-0.897	50	10	BBGE	
CN(C)NC(=O)NC1(C(=O)O)CCC1	149060917	YAYPEGRWQCFOME-UHFFFAOYSA-N	201.226	-0.231	50	10	BBGE	
CCSC[C@H](C)NC(=O)C(=O)NN	157043945	SYXVRZWKGHKLDP-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
COC(=O)c1cc(B(O)O)cnc1SC	204257560	YAGNTFIXTGKSJB-UHFFFAOYSA-N	227.050	-0.730	50	10	BBGE	
COC[C@H](O)CN(C)C[C@@H](O)CCl	225633257	IOBURJYVIXSVSY-JGVFFNPUSA-N	211.689	-0.475	50	10	BBGE	
Cn1nccc1CCOc1ccccc1B(O)O	230766853	HCXQLVZQBOKFRR-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
CCOC[C@H](C)OC[C@@H]1CC[C@H](C(=O)NN)O1	300041758	YAXKMRCBABXQNZ-LPEHRKFASA-N	246.307	-0.035	50	10	BBGE	
OCCc1ccc(B(O)O)cc1Br	306513655	SPCXSXUHXQLTKZ-UHFFFAOYSA-N	244.881	-0.336	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](NC(=O)CCl)C1	306666212	ZGGXWEBMKOTUSO-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
Nc1cc(N)c2cc(B(O)O)sc2c1	307038603	GHCTXGCLTXDGFM-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C1NC[C@H](Br)N2CNC[C@H]12	307063625	PTKUPPGQBIGOJH-RFZPGFLSSA-N	220.070	-0.932	50	10	BBGE	
O=[N+]([O-])c1ccc(F)c(F)c1B(O)O	307190646	YFCHECPLUAJXMG-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
OB(O)C1=CN=C2N=C(C(F)(F)F)C=N[C@H]12	381436657	YATSTGQRVFWHLF-RXMQYKEDSA-N	230.942	-0.249	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CCN(C)C1	381596818	FTDSPUSWFXHBMA-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)CN1CCC(N2CCCC2)CC1	384398316	OWWDMWSNCSYABK-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@@H](C)N)[C@@H](C)Cl	388963032	GKNNVNKQQPFWOG-HSUXUTPPSA-N	222.672	-0.381	50	10	BBGE	
O=C1CCC(=O)N1CCCCCB(O)O	389713714	NAYOHZAJXRTHTQ-UHFFFAOYSA-N	213.042	-0.222	50	10	BBGE	
CCCCNNC(=O)[C@H]1COCCN1	389937421	NLKNRTQJYCNPLZ-MRVPVSSYSA-N	201.270	-0.604	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(B(O)O)c(CO)c1	396042295	REGJBXZCHXCFJT-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1CCC=O	396137251	LGSPEFJWKFWGEM-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1csc2ccc(B(O)O)c(C(=O)O)c12	396248302	UODZLEVXSQVDCS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCn1cc(CN2CC[C@H](B(O)O)C2)cn1	585075516	FVLFAVJXKMWGIO-JTQLQIEISA-N	223.085	-0.048	50	10	BBGE	
CN(C)NC(=O)[C@H]1OCC[C@H]1C(=O)O	689987200	KHGRKNRNDFNYBC-RITPCOANSA-N	202.210	-0.931	50	10	BBGE	
CO[C@@]1(C(=O)O)CCCN(C(=O)NN(C)C)C1	697285914	NZJCSCNQSJCCLY-JTQLQIEISA-N	245.279	-0.262	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1[C@H](C)C(=O)NN	706195311	WAFGUAJYSMNBCQ-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CCC(O)(CC)CN(C)[C@H](COC)C(=O)NN	706425830	AYEYCYRNXNQYPX-SECBINFHSA-N	247.339	-0.526	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(n2cncn2)C1	707392561	ZEQBYHADYLSRAB-SECBINFHSA-N	238.295	-0.707	50	10	BBGE	
COC(=O)N1CCCc2cc(B(O)O)ccc21	712133397	QOLHOUFHTMVKMF-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
O=C(CBr)N1CC(CO)(CO)C1	721399757	WNSYJOBQMOGSED-UHFFFAOYSA-N	238.081	-0.806	50	10	BBGE	
C/C=C(\C)C(=O)NNC(=O)c1cnn[nH]1	751375724	PHWXQWXEHYLACL-HWKANZROSA-N	209.209	-0.468	50	10	BBGE	
O=C(NNC(=O)[C@@H]1COCCO1)C1=CCCC1	760582644	QMGGHHXMKVIUQQ-VIFPVBQESA-N	240.259	-0.341	50	10	BBGE	
O=C(CO)NNC(=O)c1ccoc1C1CC1	799102965	XQYYGNYJZJOURZ-UHFFFAOYSA-N	224.216	-0.090	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCCO2)O1	814343354	ZIDMGSNXLFHNKO-IWSPIJDZSA-N	242.275	-0.120	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CSCN2)CC1	821981584	WLLFQBXNPXNBDC-QMMMGPOBSA-N	241.316	-0.474	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CCF)n[nH]1	901252411	VRVFCYZKMUYQHZ-UHFFFAOYSA-N	214.200	-0.161	50	10	BBGE	
CNC(=S)N(C)NC(=O)COC1CC1	909993623	OUMZYDZXKOYPHJ-UHFFFAOYSA-N	217.294	-0.367	50	10	BBGE	
CN(CCCl)[C@@H]1CC[C@H]2NNC(=O)N2N1	953055363	MOLWDQOFWUNEGJ-NKWVEPMBSA-N	233.703	-0.363	50	10	BBGE	
O=C(NNC(=O)c1ncon1)N[C@@H]1C=CCC1	1252777252	GORQNURNSHGDSH-ZCFIWIBFSA-N	237.219	-0.268	50	10	BBGE	
CN1CC[C@H](CC(=O)NNc2cnnn2C)C1	1332854789	QCMSDZZZANESFA-MRVPVSSYSA-N	238.295	-0.400	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)N(C)C)cnn1	1542414914	GOFVFJPFVWBTDY-UHFFFAOYSA-N	223.236	-0.299	50	10	BBGE	
CNC(=O)NNC(=O)c1ccn(COC)n1	1583198014	OOTUGLOBHNFPSA-UHFFFAOYSA-N	227.224	-0.939	50	10	BBGE	
O=S(=O)(CCCl)NOCCO	1880350212	KKBPIPYTIKTKFJ-UHFFFAOYSA-N	203.647	-0.932	50	10	BBGE	
O=C(O)CNC(=O)[C@H]1C[C@@H]1Br	1880433373	FOEURMUKMMNKOP-IMJSIDKUSA-N	222.038	-0.029	50	10	BBGE	
O=C1CN(C2CC(Br)C2)C(=O)CN1	1882565408	NYFYYBHMQGLNCA-UHFFFAOYSA-N	247.092	-0.129	50	10	BBGE	
NOCCCS(=O)(=O)NC1CC(Cl)C1	1884412371	PDWMYZYCMTWEEJ-UHFFFAOYSA-N	242.728	-0.044	50	10	BBGE	
O=S1(=O)CC[C@H](CNCC#CCCl)N1	1884812656	LAHKLGIJWMPXMR-MRVPVSSYSA-N	236.724	-0.490	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCS(=O)(=O)CCO	1886689358	QOSGMNBRHBUUPW-ZCFIWIBFSA-N	243.712	-0.863	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@@H](O)C1	1893474432	IWKOIEPXUCLWQH-CWKFCGSDSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@H]1C1CC1)C(=O)NN	1896249311	PKLMFWINQCHURI-SZEHBUNVSA-N	227.308	-0.542	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2COC[C@@H]2F)[nH]1	1896824782	WGYMOZQSOSQNIX-CRCLSJGQSA-N	247.661	-0.406	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@H]2F)nc1	1897234229	UWFUQYMJSMGIRV-HTQZYQBOSA-N	226.016	-0.574	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCC[C@H]1N)S(C)(=O)=O	1901339407	NNLGGOBDPPPEEL-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CC=C(C)C(=O)Nc1cc(B(O)O)ccn1	1901526087	KEPGWLUXESJHQZ-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1ncc(B(O)O)cc1F	1908964590	IWWDRRFNFBIAFA-XPUUQOCRSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H](Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NN	1912216883	XSQWHTKAVKDNCE-LURJTMIESA-N	240.219	-0.618	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1C[C@@H](F)CN1	1923402553	MUGJRGJCUVCNCQ-QWWZWVQMSA-N	243.160	-0.604	50	10	BBGE	
CN1CCCN(CCC(=O)NN)CCC1	1932321393	OYVJJNPJEBWTPK-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]1(C)CO	1932968489	XLVNRILYTZKJAI-PSASIEDQSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSc1nccc(O)n1	1936095542	YDKOTUSTJYFVJH-RITPCOANSA-N	240.288	-0.100	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CC1(C(=O)NN)CC1	1938247038	ONUVKXYFCZTDKZ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@]12CCOC2	1941078201	LCXQHGFAZVWTAR-UMNHJUIQSA-N	239.319	-0.133	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCNC(=O)CC1	1941630437	CNEMZLMYTUDONJ-SNVBAGLBSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]3COC[C@H]32)CC1	1945911999	FTKIQEUCQNFLBA-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
OC[C@H](Br)Cn1cnnn1	1951617576	PCARJOGSXZTTOA-SCSAIBSYSA-N	207.031	-0.571	50	10	BBGE	
C#CCOC1CN(C[C@H](O)CCl)C1	1954821718	CUVRZRCUXLVHOD-MRVPVSSYSA-N	203.669	-0.080	50	10	BBGE	
CO[C@H]1CC(=NNC(N)=O)C[C@H]1OC	1954925605	BLFROILZBCQCSZ-KNVOCYPGSA-N	201.226	-0.166	50	10	BBGE	
NC(=O)NCCCNS(=O)(=O)CCCl	1956506022	AENPMKUJXUFJSQ-UHFFFAOYSA-N	243.716	-0.797	50	10	BBGE	
COC1(CN(C)[C@@H](C)C(=O)NN)CC1	1956525129	IRFYDVQMBQOHPW-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CN(CCC(=O)NN)Cc1cn(C)cn1	1958690278	KGIGGQGMXBCSFV-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC([S@](C)=O)C1	1961562538	CQYGHZJEYSLRQT-ZIDLFYJRSA-N	233.337	-0.792	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCCC[C@@H]1O	1981406990	KTSOBVCBCABILJ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
OB(O)c1ccc(N2CCC(F)(F)C2)nc1	1981413205	CQONZLXRFSDPOX-UHFFFAOYSA-N	228.007	-0.393	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1ncccc1B(O)O	1981423637	HGKJYBJHRABQKA-QMMMGPOBSA-N	220.081	-0.004	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568666	WKPRDLCEZNKWPW-ZYUZMQFOSA-N	227.308	-0.544	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@H]1F	1987226746	ZAVSLHRUJOKIAM-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(CCO)C1)C(=O)NN	1987907807	RAYXSTXWHSCMAL-GXSJLCMTSA-N	229.324	-0.293	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H](F)C1	1988001692	MKRHEQDXISFBHW-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
C[C@H](CN1CC(C)(C)OCC1=O)C(=O)NN	1990444284	MTNLZROIJIWEAF-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CCSC1	1991330980	NOWRHZRODPCPDK-CBAPKCEASA-N	241.121	-0.044	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CCNC(=O)C1	1991654924	PWFNKKDAVBHXJL-ZETCQYMHSA-N	244.678	-0.050	50	10	BBGE	
COc1ccc(C#N)cc1OCC(=O)NN	1994630690	OSYLXFATRLZUOD-UHFFFAOYSA-N	221.216	-0.064	50	10	BBGE	
Cc1ncnc(O[C@H]2CCCOC2)c1B(O)O	2004925576	RWBBWMCRKKCRQT-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
CC1(C)C[C@@H](Oc2ncc(B(O)O)cn2)CO1	2004930911	YEWCRLSPTNCATE-MRVPVSSYSA-N	238.052	-0.897	50	10	BBGE	
Cc1ncnc(N(C)CCC2CC2)c1B(O)O	2004973479	VOOIHWAQCJMWPB-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CCc1nccn1-c1cc(C)c(B(O)O)cn1	2005008213	UDOMRDKDVSSWNU-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOCC[C@H]1C(=O)O	2008003798	SUEBZNHVDLKCQP-SFYZADRCSA-N	245.279	-0.358	50	10	BBGE	
CN(C)CCCCN(C)CCOCC(=O)NN	2008546285	JESXCHHRFMZTDI-UHFFFAOYSA-N	246.355	-0.734	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](O)C2(CC2)C1	2008871462	UUCJXALGXWOXRF-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901377	YJJLXIATLWGDKF-QGKZMRNZSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC(F)F	2014703412	POFPETSUWLVKOM-PRJMDXOYSA-N	248.277	-0.612	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C[C@]12C[C@H](CO1)C2	2018479926	SPHSLSIGISFEKH-BFLSOPEQSA-N	239.319	-0.277	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC(C)(C)C1	2019212100	RTKAKXQFFNGQHK-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1cc(C(=O)NN)co1	2023141112	HLEJZBRKVZQFIA-VIFPVBQESA-N	239.275	-0.162	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1c1ccncc1B(O)O	2052498323	BZQJBYQEPOTIDN-ONGXEEELSA-N	249.123	-0.710	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(OC)c1B(O)O	2060056610	WODFRYSEZSXVDI-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCc1ccc(OC)c([N+](=O)[O-])c1B(O)O	2060073370	PPTNGWIHXGUXLN-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(Cl)c(C=O)c(B(O)O)c1	2060132361	BUIZAYMWLLLFAP-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1ccc(C2CC2)n1	2068334998	MJOIUJGFHDNJOK-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)cc(B(O)O)c1	2068626475	GNXCWCJWRKOCAE-ITGUQSILSA-N	248.087	-0.054	50	10	BBGE	
Cn1ccnc1COCc1ccccc1B(O)O	2080333001	PYENEBKFKBOUSK-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](CCCO)C1	2210537553	YKCVHXLRPJPPCK-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
Cc1cn(Cc2cc(B(O)O)cs2)c(O)n1	2211072725	PQDSFXAGJBTROB-UHFFFAOYSA-N	238.077	-0.313	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)C[C@H](O)[C@@H]1C	2211251859	XFXHLYXBKPYSIU-KATARQTJSA-N	229.324	-0.154	50	10	BBGE	
CN(CCCCO)C[C@H]1CC[C@@H]1C(=O)NN	2211827310	DQUMSNOPEGRUPR-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H](C)CO	2212610094	CDFXMCGWKPKJDO-YUMQZZPRSA-N	224.069	-0.810	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1CCC1	2212611115	VHUUPBIIVYIVGU-ZETCQYMHSA-N	221.069	-0.243	50	10	BBGE	
C=C[C@H]1CCCN1c1cc(B(O)O)ccn1	2212612735	OBBIWJIUFVQTBP-JTQLQIEISA-N	218.065	-0.084	50	10	BBGE	
C=C1CON(CC2(C(=O)NN)CCOCC2)C1	2216871108	MNEPBRNRELUNBL-UHFFFAOYSA-N	241.291	-0.424	50	10	BBGE	
C=C(CN1C[C@H]2COC[C@@H](C1)C2(F)F)B(O)O	2217042668	HUUURWDWURYTQX-DTORHVGOSA-N	247.050	-0.232	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217172519	KVHWKFMCFFFVME-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
CN(C)C(C)(C)COc1ccc(B(O)O)cn1	2217173588	PEPBKTRTKWETDD-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Oc1ncccc1B(O)O	2217181866	WFQRBOKLCOOJIH-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185255	ZSEZJKPYIMFYNA-RQJHMYQMSA-N	242.059	-0.264	50	10	BBGE	
N[C@@H](COc1nccc(B(O)O)c1F)C1CC1	2217187323	WJLFTLONYUOSAJ-QMMMGPOBSA-N	240.043	-0.983	50	10	BBGE	
C[C@H](CN)CCCOc1cc(B(O)O)ccn1	2217194895	YGLFDJIARNZDPD-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
CC(C)C[C@@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223669837	PBLGJHMRSKSMJW-ZJUUUORDSA-N	249.123	-0.328	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CC[C@H]2NC3)c1	2223672034	RLLXZVFETWLDPS-IEBDPFPHSA-N	247.107	-0.686	50	10	BBGE	
CCN(OC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2241474460	DIBQWHFAIFGIAR-KNVOCYPGSA-N	201.031	-0.351	50	10	BBGE	
CCON(C)C(=O)C1CC(B(O)O)C1	2241481494	VXRFZTLGRYKTBV-UHFFFAOYSA-N	201.031	-0.351	50	10	BBGE	
O=C(N=c1cco[nH]1)c1sccc1B(O)O	2243356985	POYSWDFYJZDDET-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccsc1B(O)O	2243358976	MLOJJAVMSNQRRO-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
CC(=O)NC(=O)c1ccc(B(O)O)c(Cl)c1	2243367640	WDUKECITPSKKPG-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
Cc1cc(C(=O)NOC(C)C)oc1B(O)O	2243377506	AESVWJXJLPEJLR-UHFFFAOYSA-N	227.025	-0.662	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)[C@@H]1C[C@@H]1B(O)O	2243391580	MEAWFKLLMOFSFJ-RITPCOANSA-N	224.000	-0.556	50	10	BBGE	
C=CCCOCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2243396081	HDZNWUSHINAXOD-BDAKNGLRSA-N	227.069	-0.442	50	10	BBGE	
CCC=CCNC(=O)c1csnc1B(O)O	2243398751	TXLDAARIVSXIQH-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1csc(B(O)O)c1	2243406591	BEGWLORBVMHDOD-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
CC[C@@](C)(COC)NC(=O)C1(B(O)O)CC1	2243408836	WEKZJVDLDIIOJI-VIFPVBQESA-N	229.085	-0.075	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1CO)C1CC(B(O)O)C1	2243416110	HBZDRDJCEDYNQB-KHONBHQKSA-N	227.069	-0.874	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccncn1	2243419823	HKCULJJPOMNPHH-BQBZGAKWSA-N	221.025	-0.698	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243752242	GXCDUFFURXAIRM-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
O=C(NCC=C(F)F)c1csc(B(O)O)c1	2243770947	GBUMYVGZIYAZCZ-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@@H]2C1(C)C	2243801371	KXKOIKFWVPEYMD-HRDYMLBCSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)N1CCC1	2247750977	QVYIZVPISAURIG-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC(C)(C)C[C@@H](O)CNC(=O)C1(B(O)O)CC1	2247755839	KDKIDENFZWGCBV-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
C=CCN(C)C(=O)c1cccc(F)c1B(O)O	2247755945	FBDZVVCHDCPACM-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2247772481	VOHBRBGDHWHFQM-LYIWLLOFSA-N	234.064	-0.854	50	10	BBGE	
CCC[C@H](C)CNC(=O)c1cc(B(O)O)n[nH]1	2247783241	BJSRWFJKALGBDT-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790999	KMPCCLXRTIFHRK-DOLQZWNJSA-N	240.112	-0.422	50	10	BBGE	
Cc1ccnc(C(=O)NCC(C)C)c1B(O)O	2247792672	WQAHCISUILCWOK-UHFFFAOYSA-N	236.080	-0.544	50	10	BBGE	
CC(C)CN(CCN)C(=O)C1CC(B(O)O)C1	2247798541	VJDBFAXKCUAMIK-UHFFFAOYSA-N	242.128	-0.317	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247846686	KRTDZFBOOZNAKS-SRSLHRDFSA-N	236.080	-0.674	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)C2(B(O)O)CC2)CO1	2247853453	MOBRQHXVASCVOY-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1ccnn1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247854528	DTINXZTZDDNTOA-BDAKNGLRSA-N	237.068	-0.759	50	10	BBGE	
C[C@@H]1CC[C@](O)(CNC(=O)C2(B(O)O)CC2)C1	2247873787	LYVIDJYCPBMQJQ-PSASIEDQSA-N	241.096	-0.339	50	10	BBGE	
COC(=O)[C@H](NC(=O)C1(B(O)O)CC1)C(C)C	2247875257	VAJITMXCOSEDIA-SSDOTTSWSA-N	243.068	-0.693	50	10	BBGE	
CCN[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247877860	FNZBMLFMERGBHO-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC[C@H]1C2	2247879928	ZFEOGKZHAOXQQW-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)co1	2247886944	IDUJKLMAGVAARN-DTWKUNHWSA-N	238.052	-0.196	50	10	BBGE	
COc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)ccn1	2247896929	MBCMBQGWOJKEDC-JGVFFNPUSA-N	236.036	-0.108	50	10	BBGE	
CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247899427	NHSADCVZWDNYKL-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
N#Cc1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247900762	ZKHNTOXSZWBHGI-YUMQZZPRSA-N	231.020	-0.245	50	10	BBGE	
CC1([C@@H](CO)NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247909298	HSGOTSATKUBWPI-HRDYMLBCSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2CCN[C@H]2C1	2247909686	KNXBNZQZSKCHBW-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](O)CC(=O)Nc1cccc(B(O)O)c1F	2248441615	MNUFEVSJHJOBBO-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)[C@H](F)C(=O)O	2248579139	UPOBSKACCJMCSR-WDSKDSINSA-N	247.031	-0.832	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248584790	BLLFLDZMNIBAIA-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
COC[C@]1(C)C[C@H]1Nc1cc(B(O)O)ccn1	2248708614	ROUQHRBZIKEIFP-KOLCDFICSA-N	236.080	-0.402	50	10	BBGE	
COCC1(C)CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2251479857	UWNGXDYVNINTPC-UVCIYIGYSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@@H]21	2255472337	FIRJJBSAVVSUNV-NQMVMOMDSA-N	248.091	-0.578	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC2(C)CC2)n1	2255486471	AVXUXTVOPVHNEN-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC12CCC2	2255495431	CISLOKMTHXWTBB-SNVBAGLBSA-N	248.091	-0.623	50	10	BBGE	
O=C(NCc1cccc(CO)c1)[C@H]1C[C@H]1B(O)O	2255567909	GXVGDBBAADTHAT-WDEREUQCSA-N	249.075	-0.342	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@H]3C[C@@H]3C2)c1B(O)O	2255576657	JLIFGBIJUOHBQN-RKDXNWHRSA-N	246.075	-0.838	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H](C)CC#N)c1B(O)O	2255580612	FTFFIXYFGSODOC-QMMMGPOBSA-N	247.063	-0.898	50	10	BBGE	
Cc1ccnc(NC(=O)c2cc(B(O)O)c[nH]2)c1	2255670763	IGAIUPCTIKCTML-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=c1c(F)cccn1Cc1ccccc1B(O)O	2257400501	KSHIJXAPEPLJGJ-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)C1(B(O)O)CC1	2298367989	GVYJEOPKZQEOTD-JBDRJPRFSA-N	239.080	-0.874	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@@H](N)C1	2298371833	XCHXOSAEGUUXKF-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
O=C(NCC[C@H]1CCCOC1)[C@@H]1C[C@H]1B(O)O	2298377062	CKJUZDKDZDSWPW-OPRDCNLKSA-N	241.096	-0.218	50	10	BBGE	
O=C(O)C1=CC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2298464004	MNSGPNICHMQDOA-GJMOJQLCSA-N	239.036	-0.861	50	10	BBGE	
COC[C@@]1(C)[C@@H]2C[C@@H]2CN1C[C@@H](C)C(=O)NN	2298470297	BZBJDGSIFFMXHW-BFLSOPEQSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2300062397	SGCLYSMEVPQXSN-YIZRAAEISA-N	242.128	-0.271	50	10	BBGE	
CC[C@](C)(Cn1cncc(F)c1=O)C(=O)NN	2303432856	WTPMKNGTEZIVRY-SNVBAGLBSA-N	242.254	-0.211	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](Nc3cc(B(O)O)ccn3)C[C@H]12	2312612157	DKCWLNVCAUEERJ-VFRUTBLMSA-N	247.107	-0.701	50	10	BBGE	
O=Cc1ccc(OC[C@H]2CCNC2)cc1B(O)O	2317312233	DCXZTXHAERXYJB-VIFPVBQESA-N	249.075	-0.833	50	10	BBGE	
CC1(C)[C@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317351510	JTHNWUBTUHWDAO-LLVKDONJSA-N	249.075	-0.862	50	10	BBGE	
COc1ncnc(NNC(N)=O)c1[N+](=O)[O-]	6229569	QOVHNBVVERCVQN-UHFFFAOYSA-N	228.168	-0.611	50	10	BBGE	
O=c1cnn([C@@H]2OCC[C@@H]2Cl)c(=O)[nH]1	39283927	QAIMIFUBPLNYTI-UJURSFKZSA-N	217.612	-0.542	50	10	BBGE	
NC(=O)NNC(=O)[C@@H](N)Cc1ccccc1	59978332	PMWPVSHTZHBVBG-QMMMGPOBSA-N	222.248	-0.744	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCCCO1	82469524	LMACLQXWEUYVJI-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
COC[C@H](C)N(C)[C@H](C(=O)NN)C(C)C	82469593	TWDOHAZBXJWMSN-IUCAKERBSA-N	217.313	-0.032	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@](C)(O)CO	85254662	RZVUEXCIFRMFCM-HTRCEHHLSA-N	209.673	-0.279	50	10	BBGE	
CN(CCc1cccs1)C(=O)C(=O)NN	86442413	OYVHOPFKJGLPKH-UHFFFAOYSA-N	227.289	-0.261	50	10	BBGE	
CC(C)(CN1CCC[C@@H](C(N)=O)C1)C(=O)NN	93727851	CWALWXUHKRBNKF-MRVPVSSYSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1C[C@@H]2CC[C@@H]1C2	106518814	MQXXPLNZHTZYSF-FNCVBFRFSA-N	225.292	-0.083	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@@H](C)CCC(=O)NN	110588604	POCXKLGHXMTCAK-VIFPVBQESA-N	244.339	-0.412	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](CCO)C1	159981646	DEQAODNRPYOROP-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
O=CNCc1ccc2sc(B(O)O)cc2c1	170095939	HGLTXGPYNBUTBC-UHFFFAOYSA-N	235.073	-0.173	50	10	BBGE	
CCN(C)Cc1cc(B(O)O)ccc1OC	203190254	CLBWARVOKHXNIQ-UHFFFAOYSA-N	223.081	-0.173	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(=O)CC1	211857685	FNSIZNDBGXKYCT-VIFPVBQESA-N	213.281	-0.190	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCOC)CCOC	211988771	YKACBFJHTUCHTK-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1CO	212038907	VSWQMWPJMZRGBF-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CCN)SC[C@H]1CC[C@@H](C(=O)NN)O1	228693456	RFMIQRFGKDDBLJ-HLTSFMKQSA-N	247.364	-0.006	50	10	BBGE	
CCOC(=O)[C@@H](CO)NC(=O)CCl	238248094	DIBYQRAIVBBQLQ-RXMQYKEDSA-N	209.629	-0.735	50	10	BBGE	
C[C@H](NC(N)=O)C(=O)NCC(Cl)Cl	288101823	AVBODIHXQDUHAY-VKHMYHEASA-N	228.079	-0.037	50	10	BBGE	
Cc1ccn(-c2ccc(B(O)O)c(C#N)c2)n1	382637460	HDBZKVREHZQWKE-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)[C@H](C)CCC(=O)NN	399975256	KSBRROBUZXNKNF-YNEJBJPTSA-N	249.380	-0.156	50	10	BBGE	
O=C(CN1C[C@H]2C[C@H]1CN2)NNc1ccccn1	402617031	XAFHNEKJUIFRLG-ZJUUUORDSA-N	247.302	-0.429	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1[C@H]2COC[C@H]21	404989742	ZGJVWFDLDBWEFI-VROVMSAKSA-N	247.059	-0.803	50	10	BBGE	
CCCOCC(=O)Nc1ccccc1B(O)O	405007832	QUWJCXYZQCHZAR-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
C[C@H](CN(C)C[C@]1(C)CCOC1)C(=O)NN	687519551	LSSLOXJAUWXVNY-KOLCDFICSA-N	229.324	-0.029	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccc1C	690066188	LVWCRVNNEKVOMU-KOLCDFICSA-N	249.075	-0.352	50	10	BBGE	
COC[C@H](CN(C)[C@H](C(=O)NN)C(C)C)OC	691286324	LKSREUSGKYQWIL-UWVGGRQHSA-N	247.339	-0.406	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)N1CCC(O)(C#N)CC1	692084564	JCNYGBIRAVLIMQ-RKDXNWHRSA-N	224.260	-0.102	50	10	BBGE	
OC[C@H]1C[C@H](O)CN1c1nnc(CCCl)o1	698137437	QHCMSMMHUHWFAH-RQJHMYQMSA-N	247.682	-0.217	50	10	BBGE	
Cc1nc(C(=O)NCB(O)O)ccc1C#N	702018498	WBQYMUTUBBPKEN-UHFFFAOYSA-N	219.009	-0.997	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2CCOC[C@@H]2Cl)n1	706687498	WBINEYIEOXZKGH-NKWVEPMBSA-N	244.682	-0.059	50	10	BBGE	
CCn1nnnc1S[C@H](C)[C@@H](C)C(=O)NN	707107370	PHKHCGCJBWDYFK-PHDIDXHHSA-N	244.324	-0.200	50	10	BBGE	
COCC1(N(C)[C@@H](C)C(=O)NN)CC1	707147836	PQWDUIQFYUFKEN-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H](F)CN2)CC1	707617315	AMAKGGJKWANMMT-BDAKNGLRSA-N	241.266	-0.437	50	10	BBGE	
O=C1CN(CC23CCN(CC2)C3)CC(=O)O1	715756385	RHRWAWQILLMQAI-UHFFFAOYSA-N	224.260	-0.532	50	10	BBGE	
CO[C@@H]1N=C([n+]2cc[nH]c2)C(CCl)=[S+]1	725577112	SYCKQQCHHNYXMD-QMMMGPOBSA-O	231.708	-0.014	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1CO	725628184	LGPPKANRAXTVGM-VQVTYTSYSA-N	207.657	-0.432	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(C)=O	794744349	NXLCCFJKGNKEDB-SFYZADRCSA-N	200.238	-0.031	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H]1CCN1	831944803	HSIFXTSAEZHAGX-ZCFIWIBFSA-N	200.242	-0.959	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843970143	BPBABVTTZXLGSP-HRDYMLBCSA-N	244.291	-0.280	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNC(C)=O)C1	854155107	FQTZBCOLGODUDU-HTQZYQBOSA-N	200.238	-0.031	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C12CC(C1)C2	861206492	ZGJJCDBWVJXHGH-UHFFFAOYSA-N	212.249	-0.295	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cn[nH]c1	862469766	STKVAPWIRKVSJP-LURJTMIESA-N	221.220	-0.280	50	10	BBGE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NNC(=O)C(C)(C)O	907627675	SRHSQHCYMWSUDR-BWZBUEFSSA-N	244.291	-0.424	50	10	BBGE	
Cn1ncc(C(=O)NNc2ccncn2)n1	1158664937	DFGDMVQVHLRHBA-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
Cc1ccn2cnc(C(=O)NNC(=O)CO)c2c1	1161080434	KSGJZILTFPMMSV-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
CNC(=O)NNC(=O)c1c(F)ccnc1F	1292011586	VGIHBLGJIUWYKU-UHFFFAOYSA-N	230.174	-0.066	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CC1COC1	1468765503	WBWJLYTYDQBANV-SSDOTTSWSA-N	202.254	-0.633	50	10	BBGE	
CNC(=O)NCC(=O)NNc1ccc(F)cn1	1594700024	YIAVXIQKBCEMSS-UHFFFAOYSA-N	241.226	-0.407	50	10	BBGE	
CN(C)Cc1cc(C(=O)NN(C)C(N)=O)no1	1623316077	KHQVJCFKLDJYGA-UHFFFAOYSA-N	241.251	-0.609	50	10	BBGE	
Cc1cccc(NNC(=O)c2nnn(C)n2)n1	1646183186	XESVVCBFKGAMPZ-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC[C@@H]1C[C@H]1Cl	1877393579	IAPORFVSXXTIBI-FKSUSPILSA-N	218.684	-0.154	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@@H](O)CCl	1882774948	FKTWMCIBKUKZBQ-YIZRAAEISA-N	204.701	-0.026	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=O)CCCOC1	1888178058	WUOULDCAWGKQEZ-QMMMGPOBSA-N	201.226	-0.497	50	10	BBGE	
O=C(NCCC1(O)CNC1)[C@H]1C[C@@H]1Cl	1893460924	KKDZCAWENDPTRE-BQBZGAKWSA-N	218.684	-0.546	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(OCCO)C1	1893470168	QCSJDNHNPVMGSV-SFYZADRCSA-N	219.668	-0.167	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](CCO)C1	1894738138	XYFVWQIEWVPGEG-LPEHRKFASA-N	227.308	-0.683	50	10	BBGE	
CC1CN(C(=O)N2CC[C@@](C)(B(O)O)C2)C1	1902541240	MXJWXGZZHOFXJQ-SNVBAGLBSA-N	226.085	-0.003	50	10	BBGE	
C[C@@]1(CN2CC[C@@H](B(O)O)C2)CCNC1=O	1902547032	UFYSNDAOCVFDAW-SCZZXKLOSA-N	226.085	-0.939	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC(=O)[C@@H]1C1CNC1	1904682771	GRRLOTWOOTZCLG-IUCAKERBSA-N	242.710	-0.863	50	10	BBGE	
NNC(=O)CCOC[C@H]1CCc2nccn21	1904708633	AQPQVJJTRPVVEK-MRVPVSSYSA-N	224.264	-0.233	50	10	BBGE	
COC[C@@H](C)CNC(=O)N1CC[C@H](B(O)O)C1	1905582742	CLCSLEZISKYWHU-IUCAKERBSA-N	244.100	-0.473	50	10	BBGE	
CS(=O)(=O)c1ccsc1[C@@H](N)B(O)O	1912408210	QQTDRXMSQGVOHU-ZCFIWIBFSA-N	235.095	-0.837	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CCC(O)(C#N)CC2)N1	1912838163	YUAZRWLBHMQJIJ-BDAKNGLRSA-N	223.276	-0.386	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]12CCOC2	1915573042	NINKSXIVVASNGJ-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H]1C	1928179292	OJDIZGFOUHKURM-DTORHVGOSA-N	215.297	-0.419	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)Cn1cncn1	1928693150	YEPURPOHLAUAPP-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
CN(C)CCN(CCO)C[C@H](O)CCl	1934408373	HNAVJYBZHNGMSW-SECBINFHSA-N	224.732	-0.558	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)C[C@H]1C	1934980027	CUUARJFILCBAOI-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
O=C1CN(CCO[C@@H]2CCOC2)CC(=O)O1	1935613762	IDNQMPPOJUGRGS-MRVPVSSYSA-N	229.232	-0.823	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccc([N+](=O)[O-])n1	1936081660	AIXHXAJCRZPACU-WDSKDSINSA-N	225.208	-0.583	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COCC[C@H]1Cl	1937144815	FKURAYNDEALVBI-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](N(C)CC)C1	1939076505	QOXUEOYJFKJLKR-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)C2(CC2)C1	1944722569	DAPFWHYDUGEEEH-BDAKNGLRSA-N	243.307	-0.898	50	10	BBGE	
C#C[C@@]1(O)CCN(C[C@H](O)CCl)C1	1954824280	WAVQVCLHVSIBSR-RKDXNWHRSA-N	203.669	-0.344	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1955570470	XYDSQIMJSMSIOG-BWZBUEFSSA-N	220.700	-0.205	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1C[C@@H](O)CCl	1956251891	KQKGDQGOTFVGTG-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
CN(C)NC(=O)[C@H]1COCC(C)(C)N1	1956620096	CNOKEGRXHNUDDG-SSDOTTSWSA-N	201.270	-0.654	50	10	BBGE	
CCN(C)c1ncc(Cl)cc1B(O)O	1956965541	LIRULIOBBKADEU-UHFFFAOYSA-N	214.461	-0.129	50	10	BBGE	
CC(C)CN(C)c1nc(B(O)O)cs1	1956966404	UTPAKRQGVZACSB-UHFFFAOYSA-N	214.099	-0.085	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)CCOCC(=O)NN	1959194146	DOJUKIDALDIIAW-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)N1CC[C@]2(CCCNC2=O)C1	1959577958	UNMCJKWUUALTKF-SECBINFHSA-N	212.253	-0.828	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H]2C[C@@H]21	1961509818	VZPASGRSMVVTCO-HXFLIBJXSA-N	211.265	-0.915	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1cccc(B(O)O)c1	1965497758	PVRLCXLBAZUHKX-QWRGUYRKSA-N	245.087	-0.248	50	10	BBGE	
CCOc1cc(B(O)O)cc(F)c1C=O	1974577784	SDDYTVWOHKAZSA-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C[C@@H](CN(C)[C@]1(C)CCOC1)C(=O)NN	1974594817	HPSFTPKNSQIFTL-WCBMZHEXSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)CCO[C@H]1CCOC1	1975105055	WKBUSMLMNLUKIR-LURJTMIESA-N	224.207	-0.193	50	10	BBGE	
CC[C@@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1976979701	OSFRWNPOJXATAU-RITPCOANSA-N	232.045	-0.990	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@@H](C)CCl	1978821439	GASHYLNXEQEVNL-QMMMGPOBSA-N	249.742	-0.345	50	10	BBGE	
C[C@H](CN1C[C@H](O)C2(CCC2)C1)C(=O)NN	1978832713	VLAXDOWCRJWNEK-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H](C)CC(=O)N=c1nc(B(O)O)[nH]s1	1979357155	TYLOQFJURZZIQC-RXMQYKEDSA-N	243.097	-0.986	50	10	BBGE	
CC1(C)CSCCN1CCOCC(=O)NN	1980965016	RSJGACXOLABFQF-UHFFFAOYSA-N	247.364	-0.180	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H](CF)C1	1981250998	ZYCLMRMSMYWANC-ZCFIWIBFSA-N	241.213	-0.718	50	10	BBGE	
C[C@H]1CC[C@H](C)N1c1ncc(B(O)O)cn1	1981414019	MXQYGLBMIZTOMV-YUMQZZPRSA-N	221.069	-0.466	50	10	BBGE	
OB(O)c1csc(-n2ccc(C3CC3)n2)n1	1981465132	KINGDIUAXQVJTE-UHFFFAOYSA-N	235.077	-0.114	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC[C@@]1(C)CO	1982379836	UAWDWGIXSWRVQF-KKZNHRDASA-N	229.324	-0.152	50	10	BBGE	
N[C@@]1(CO)CCCN(C(=O)C=CC(=O)Cl)C1	1991647941	JRTXUJKKSOWVOO-JTQLQIEISA-N	246.694	-0.380	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCCC[C@@H]1C2	1992152402	DXKDCXZKLGDVSK-KOLCDFICSA-N	221.065	-0.302	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@H]2C[C@@H]2CO1)B(O)O	1992153046	LCEGCMBYKJPVEM-MXWKQRLJSA-N	225.097	-0.089	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3COC[C@@H]32)n1	1992340442	ZHSBRWWPPQIGAQ-BQBZGAKWSA-N	240.093	-0.952	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1997671477	OKZMVNOJBPYENV-MRVPVSSYSA-N	240.307	-0.939	50	10	BBGE	
CC1(CCC(=O)N[C@H](CB(O)O)C(=O)O)CC1	1998134768	HHTGJOMCGRLWOA-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
CCCN([C@@H](C)C(=O)NN)[C@H]1CCCNC1=O	2004314755	SQBMRJUOCILPCS-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cncnc1OCCCC(F)(F)F	2004930559	USDABDSJIIRWJI-UHFFFAOYSA-N	249.985	-0.122	50	10	BBGE	
Cc1nc(O[C@H](C)C(F)(F)F)ncc1B(O)O	2004930707	WBOHOXWBQOUAPK-RXMQYKEDSA-N	249.985	-0.206	50	10	BBGE	
Cc1nc(N2CCCCCO2)ncc1B(O)O	2004974288	IGBOHQSZQFBXAG-UHFFFAOYSA-N	237.068	-0.613	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2C[C@H]2C1	2005014758	QDNAHVHHYMKWJU-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
COCC1CN(c2ccc(B(O)O)c(C)n2)C1	2005015201	XIVAYVFZCBEDDU-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
C[C@@H](CN1CCO[C@@H](C(C)(C)O)C1)C(=O)NN	2005914165	XHQLJXVSUVUBKZ-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CN1CC2(C1)CN(CCC(F)(F)C(=O)NN)C2	2008868356	SHZGSDMIFLJPCW-UHFFFAOYSA-N	248.277	-0.751	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2C[C@H]2F)n1	2014735073	LMUGRDBRSTVZSC-VXNVDRBHSA-N	239.059	-0.741	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022799	XQLVOQRAZCIXNC-CDPPZIPSSA-N	239.319	-0.136	50	10	BBGE	
CO[C@H](C)COCC12CC(C(=O)NN)(CO1)C2	2023836657	FTBXNPCPELSNEB-MFAVDMRSSA-N	244.291	-0.423	50	10	BBGE	
NNC(=O)CN1CCCC[C@H](N2CCCC2)C1	2024852252	HHKNURDRVPQTFN-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
COC[C@@H](C)COc1nc(C)ccc1B(O)O	2026074776	OYQZHAHGWMJWJM-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
CCN=c1ncnc(N2CCC(O)(C#N)CC2)[nH]1	2033843590	YKIHBQJUIPAZIR-UHFFFAOYSA-N	248.290	-0.420	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2COCC[C@H]21	2052467802	VLVBLWJSESZWKZ-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](N3CCC3)C2)nc1	2052469579	SIOPPGZEPUJXSR-LLVKDONJSA-N	247.107	-0.954	50	10	BBGE	
CC[C@H]1CN(c2ccc(B(O)O)cn2)CCN1C	2052471204	CZXZAXBQQAJPMS-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(N(C2CCC2)C2COC2)nc1	2052471632	GLRFOLLHIZHRRA-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
CN(Cc1cncn1C)c1ccc(B(O)O)cn1	2052472684	NHPYLTSUIXKHHI-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cnccc1N1CC(n2ccnc2)C1	2052490710	DMZUDEMBCAKEBK-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@@H](C3)C2)ncc1B(O)O	2052551199	BZCXCCQCJCIETE-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
Cc1ncnc(N(C)C[C@@]2(C)C[C@H]2C)c1B(O)O	2052557856	VJWISNUTAPJHRL-PRHODGIISA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cnc(C(C)C)n1	2052596290	GTOCMFGMTUQTLF-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@@H]1C[C@H]1C1CC1	2058154719	GSGWVYQFBXOZDG-MNOVXSKESA-N	247.103	-0.036	50	10	BBGE	
COc1cc(B(O)O)cc(C=O)c1Cl	2060132057	VJVJLRBPVSTFBF-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(B(O)O)c1C	2060381038	YDGMSHKZQYMHRG-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@H]1[C@H]2COC[C@H]21	2068627679	HUSDHGIUFUTDGC-ZSBIGDGJSA-N	248.087	-0.054	50	10	BBGE	
C[C@@H]1OC2(Cn3cccc(B(O)O)c3=O)CC1C2	2068638294	QRZSLNNFIUVLLI-QTZUAFFRSA-N	249.075	-0.904	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1c[nH]ccc1=O	2076077685	AWAUEHNLODQCFL-SECBINFHSA-N	248.047	-0.795	50	10	BBGE	
CC(C)(O)CN1CCC(B(O)O)CC1	2209912636	RMUDGFAQXSSSAR-UHFFFAOYSA-N	201.075	-0.304	50	10	BBGE	
C[C@@H]1CN(Cc2nscc2B(O)O)C[C@@H]1C	2211140692	OWSJHMAELFCQFZ-OCAPTIKFSA-N	240.137	-0.089	50	10	BBGE	
CCN(C[C@H]1CC[C@H]1C(=O)NN)S(C)(=O)=O	2211838202	DPYKSRDPQXDPHP-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
C/C=C/CCCN=c1ccc(B(O)O)c[nH]1	2212604128	MOPITPAZEAIBJN-NSCUHMNNSA-N	220.081	-0.049	50	10	BBGE	
CC#CC(C)(C)Nc1cc(B(O)O)ccn1	2212611383	ZXGWPTMNHUYFRJ-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
CN1CC[C@H](COC[C@@H]2CC[C@H]2C(=O)NN)C1	2215773569	BRDOBVWJSCOQGM-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
CCN(CCN(C)C)C[C@H]1CC[C@@H]1C(=O)NN	2215775785	IYBDTENDIXQFFU-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
C[C@]1(N)CCCN(c2cc(B(O)O)ccn2)C1	2217177383	IJJWVMUGPHKMJQ-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC23CC(O)C3)nc1	2217200066	HQOJQBVETRIGMC-YUCVTWSNSA-N	234.064	-0.913	50	10	BBGE	
N[C@H]1CCCCN(c2ccc(B(O)O)cn2)C1	2217204567	LTDDBGSYTJNZEE-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCO1	2217204885	QEHVHCCGGJJAGJ-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CN(CCCCCN)c1ncccc1B(O)O	2217204972	RJPGCWZPIIKFBX-UHFFFAOYSA-N	237.112	-0.673	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2220589539	UCJQCERQUKUAPG-GHMZBOCLSA-N	249.075	-0.270	50	10	BBGE	
OB(O)c1ccnc(-n2ccnc2C2CC2)c1F	2223610504	OMHRHSLXBSSUST-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
C[C@@H]1C[C@H](CNc2cc(B(O)O)ccn2)CCN1	2223627799	OBAAIFQWDZETJB-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1CNCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223629700	WNGNOHQZQMVYHP-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@@H](N)C2)cc1B(O)O	2223647174	UKUMPTGRUDHDKO-VHSXEESVSA-N	249.123	-0.391	50	10	BBGE	
C=C[C@@H]1CN(c2cc(B(O)O)c(C)cn2)CCO1	2223650131	IOAVHOCMACHEEB-SNVBAGLBSA-N	248.091	-0.539	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)nc1	2223668700	ZXRGDBWOYFORAJ-ORWYPTJLSA-N	243.075	-0.921	50	10	BBGE	
CC[C@]1(Nc2ccc(B(O)O)cn2)CCCNC1	2223669228	HNZNNEVYJXOZSR-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@H]3CC[C@H]2C3)[nH]c1	2223678531	CYAGXPMYBWFWEO-LPEHRKFASA-N	247.107	-0.574	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2CCCC[C@H]21	2243362976	ZFHLWQVADBVDCB-IVZWLZJFSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)C1(B(O)O)CC1	2243365919	UYMAOCNXSZMVND-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
O=C(NCc1ncco1)[C@H]1C[C@@H](B(O)O)C1	2243372253	FGULEEIGFAHKIP-KNVOCYPGSA-N	224.025	-0.456	50	10	BBGE	
Cc1cc(C(=O)NC2(C)CC2)oc1B(O)O	2243378334	RGRTZVVWTINUHW-UHFFFAOYSA-N	223.037	-0.450	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC(O)C1	2243392980	YXVDMLHGXAEWQC-BGSMBAJZSA-N	227.069	-0.779	50	10	BBGE	
O=C(Nc1ccns1)c1occc1B(O)O	2243397909	LHYFUVBFHFEDOE-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CON(C)C(=O)c1c(Cl)cccc1B(O)O	2243399099	WPKIAUBLEMSMNC-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC(C)C	2243404628	RGQZCGUMNMHHEV-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
C=C1CCN(C(=O)c2ccoc2B(O)O)C1	2243407508	UDMXEVSTQWZWCI-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2CCC[C@H]21)B(O)O	2243412648	QRMNFVLQZUFHRO-RKDXNWHRSA-N	245.109	-0.631	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243415482	VVSQLTMARXTWEA-CIUDSAMLSA-N	226.085	-0.988	50	10	BBGE	
CC(C)=CC(=O)Nc1ccc(B(O)O)cn1	2243679013	RGGKYTZWBBTGLL-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C#CCC(=O)N(C)Cc1csc(B(O)O)c1	2243685510	WCBNMLHNGONFLK-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
Cc1nnccc1CN(C)[C@H](C)C(=O)NN	2245402855	GVKSJIXKSSDFAP-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCOC1CC1	2246814504	KSVOQKDDNNLEDK-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CC1(C)CN(C(=O)C(=O)NN)CC2(CCC2)O1	2247359959	NAHVGCUWLKHAKH-UHFFFAOYSA-N	241.291	-0.464	50	10	BBGE	
CN(CC1CC(=C2CC2)C1)C(=O)C#CB(O)O	2247741118	UVPQVGXKYPILEE-UHFFFAOYSA-N	233.076	-0.039	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2ccoc2B(O)O)C1	2247741641	CMZXTRGXSOXURA-HDKIZWTHSA-N	241.027	-0.420	50	10	BBGE	
C[C@H](c1cccnc1)N(C)C(=O)C#CB(O)O	2247747470	NZCGMORXTRBPRK-SECBINFHSA-N	232.048	-0.384	50	10	BBGE	
CN1CCC[C@@]1(C)CNC(=O)C1(B(O)O)CC1	2247754064	DJDPFGUASMHIKJ-JTQLQIEISA-N	240.112	-0.406	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1F	2247787865	VWANVMTVRKQLSV-KZVJFYERSA-N	245.059	-0.565	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)[C@H]1C[C@@H](B(O)O)C1	2247789944	CZGDHOPPXFZBDI-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCC[C@H]1O	2247793389	XMTVOSXCOIOZCE-RSWAIMACSA-N	241.096	-0.341	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C12CC(CO1)C2	2247798877	XZKTUKVCXWNKSR-JKJOQYEPSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2c[nH]nc2C1	2247806221	DNJXFEFIIQNVNG-HTQZYQBOSA-N	235.052	-0.843	50	10	BBGE	
C=C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808259	KIYZSKAOJBAOLM-YWVKMMECSA-N	239.080	-0.611	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CC#N)oc1B(O)O	2247860261	UKZKFSCZNHAKCT-SSDOTTSWSA-N	236.036	-0.700	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1ccoc1B(O)O	2247866830	TVDYOCUDZDCJHE-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)cn1CC	2247874658	OGLMGPAPNNPSHV-UHFFFAOYSA-N	236.080	-0.554	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2CC(C2)C1	2247879398	UNRLMJOQVXVXMK-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CN(Cc1ncon1)C(=O)C1CC(B(O)O)C1	2247909500	KCHIQBVYQXSANL-UHFFFAOYSA-N	239.040	-0.719	50	10	BBGE	
C=CCC(=O)Nc1ccc(B(O)O)cc1OC	2248420567	WQRNRAAETTWIOB-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
O=C(NO)c1cc(B(O)O)cc(C(F)(F)F)c1	2248587522	QMCCKBCJUWKKMI-UHFFFAOYSA-N	248.953	-0.496	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2cocc2B(O)O)C1	2249428479	ANXLUEFVPFDMEQ-HDKIZWTHSA-N	241.027	-0.420	50	10	BBGE	
C#CC1(NC(=O)c2coc(B(O)O)c2)CCC1	2250674370	MDNORVFDJCSYLC-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ncc(B(O)O)cn1	2254255744	BCVBSGTXORELAI-YWVKMMECSA-N	247.107	-0.076	50	10	BBGE	
CC1CCN(C(=O)c2ncc(B(O)O)cn2)CC1	2255470394	CJNRZRHHEGWXNB-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cncc(B(O)O)c2)C1	2255521784	AVVJGVOCAIYPMB-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1ccccc1B(O)O	2255525706	IFXXLXQNMDLGOL-MRVPVSSYSA-N	247.059	-0.483	50	10	BBGE	
CC1=CCCC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2255547978	QJCKPZLYQHQAOY-VIFPVBQESA-N	249.079	-0.682	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)c(B(O)O)c(C)c1	2255557689	HJWKKKRKXFXACK-SNVBAGLBSA-N	245.087	-0.265	50	10	BBGE	
O=C(N[C@H]1CCC2(CC2)C1)c1cc(B(O)O)n[nH]1	2255686287	OWCPPXYETHPKHB-ZETCQYMHSA-N	249.079	-0.848	50	10	BBGE	
CC(C)=CCNC(=O)c1ccc(B(O)O)cc1O	2255953957	QVXQXOWCGMFUEI-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cocc1B(O)O	2258131145	QNCYKLLESSRVHV-XVKPBYJWSA-N	248.047	-0.619	50	10	BBGE	
Cc1ccnc(N2C[C@H]3COC[C@H]2C3)c1B(O)O	2258842436	BWBJVQJQWPHGJD-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@@H]3C[C@@H]3C2)nc1	2298225735	RZDSCGVENGSKLV-MRTMQBJTSA-N	233.080	-0.243	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]1CO2)C(=O)C(=O)NN	2298282118	WRKHJJDTSUMHTB-YIZRAAEISA-N	241.291	-0.750	50	10	BBGE	
COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)on1	2303102838	ARWOPPDTGPGEKW-ZCFIWIBFSA-N	240.024	-0.628	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1	2303105731	QKBPGRMIDQKSBD-XSSZXYGBSA-N	241.052	-0.828	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CC[C@@](C)(B(O)O)C1	2303123633	JOUPFVVWCSUDDL-GXSJLCMTSA-N	240.112	-0.454	50	10	BBGE	
C[C@H](CN1CC[C@H](B(O)O)C1)N1CCOCC1	2303154398	KDZPKMAFUINSJZ-MNOVXSKESA-N	242.128	-0.744	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1cc(B(O)O)c(F)cn1	2303855542	NGIQPABCYGEGBT-BQBZGAKWSA-N	242.059	-0.737	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CC[C@H]1C2	2313081311	ILJJNCMTGWYAGQ-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
CN[C@H]1CN(c2cc(B(O)O)ccn2)CC1(C)C	2314820935	JNJGGZNMENHWTP-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1(CO)CC1	2317161303	LUFRTLOAUAFKPC-UHFFFAOYSA-N	246.075	-0.801	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349847	JXDQJROLJLJGTE-UFBFGSQYSA-N	249.075	-0.232	50	10	BBGE	
N[C@@H](CO)CSSC[C@H](N)CO	5131801	GMYWIQKRNIZTOF-OLQVQODUSA-N	212.340	-0.993	50	10	BBGE	
CC(=O)NNC(=O)Cn1c(C)cccc1=O	71505551	MWFNEZFWPQJJOW-UHFFFAOYSA-N	223.232	-0.676	50	10	BBGE	
N#C[C@@H]1CN(C(=O)NC(=O)CCl)CCO1	86656950	LVHPUPLKCRRIMX-ZCFIWIBFSA-N	231.639	-0.314	50	10	BBGE	
Cc1cc(CN2CCNCC2)oc1C(=O)NN	110919740	BHQVFLODDSSRID-UHFFFAOYSA-N	238.291	-0.403	50	10	BBGE	
NC(=O)[C@@H]1CCCN(C[C@H](O)CCl)C1	157935584	BXOCQZQKEIUNFL-HTQZYQBOSA-N	220.700	-0.217	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CCO)C1	159981479	NFKGSRQRHIUDGA-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](SC[C@@H]1CCCO1)C(=O)NN	234707254	HWOJCJQBNOLQOZ-JGVFFNPUSA-N	234.321	-0.097	50	10	BBGE	
O[C@H]1CN(c2nnc(CCl)o2)C[C@H]1O	236620127	FTPNCYNLMWXKEA-SYDPRGILSA-N	219.628	-0.650	50	10	BBGE	
C=CC(=O)NCNS(=O)(=O)CCl	238493217	NZKMAWSEBSXTKY-UHFFFAOYSA-N	212.658	-0.638	50	10	BBGE	
O=C1OC[C@@H]2[C@H](O)[C@@H](Br)[C@H]12	306459720	BKABFSAMXLGLMU-QTBDOELSSA-N	207.023	-0.086	50	10	BBGE	
NNc1ccc(CCl)c(B(O)O)c1	306936023	HNGSRWNARAVWKL-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
CCOC[C@@H](O)CNS(=O)(=O)CCl	308198365	OFABPKRPWFJBOY-LURJTMIESA-N	231.701	-0.501	50	10	BBGE	
CN(C)NC(=O)N(C)[C@]1(C(=O)O)CCOC1	380677797	FBQPQRGWUONXLF-SECBINFHSA-N	231.252	-0.652	50	10	BBGE	
NC(=O)[C@H]1CC(=O)C(/C=C\C=O)=C(N)C1	383980390	WQOQIPABAOYUEZ-KERABAKMSA-N	208.217	-0.581	50	10	BBGE	
NC(=O)[C@]1(O)CCN(CCCCl)C1	388803386	PIBFFLRMPSAUKN-QMMMGPOBSA-N	206.673	-0.463	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOC[C@@H]1CO	395601640	CJEOEJIXHRMWKE-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CCc1cc(=O)n(CCCCC(=O)NN)cn1	395619144	LXKNXZACYMFERJ-UHFFFAOYSA-N	238.291	-0.034	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](CO)C1	398851310	VGOHLHLGPSLFHI-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@H](O)C[C@H]2C1	398878372	WPIJSGJOPKJIEE-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
CC1(C(=O)NCc2ccc(B(O)O)cc2)CC1	405012053	UVIGJLOJDIZOQK-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
CN(C)NC(=O)NCc1ncc(C(=O)O)cn1	687016368	YVQOKPDDWYXGBX-UHFFFAOYSA-N	239.235	-0.549	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@]12COC[C@H]1C2	689285485	GUAMNVVIQBZOKR-FOGDFJRCSA-N	241.335	-0.031	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)NCc1ccccc1B(O)O	690066299	MUWXWWBUGCLMJC-GXSJLCMTSA-N	249.075	-0.983	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H]3C[C@H]3C2)n1	694230131	SQTXKKNCYJCIHX-KXUCPTDWSA-N	220.081	-0.001	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCOC3(CCC3)C2)n1	694309925	RQAMFECIRMVYCF-SECBINFHSA-N	236.080	-0.163	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](CN)C1	695088910	WJYKKZDLRVSABG-VHSXEESVSA-N	228.340	-0.328	50	10	BBGE	
Cn1nnnc1Cn1nncc1CCl	697807175	CMNWDMUMLKWXRO-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
NC(=S)NNC(=O)C(F)(F)C(F)F	700845196	RVLZNHQUZMFZQG-UHFFFAOYSA-N	219.163	-0.249	50	10	BBGE	
CCn1cccc1C(=O)NNC(N)=S	700855075	XADXGMDYRUEFHM-UHFFFAOYSA-N	212.278	-0.014	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	701932949	SVSRKOSNCVTFFL-FPFOFBBKSA-N	218.996	-0.594	50	10	BBGE	
COc1cccc(NC(=O)NCB(O)O)c1	701939645	OCQJAOIIQGIIFG-UHFFFAOYSA-N	224.025	-0.171	50	10	BBGE	
Cc1c(C[C@H](Br)C(N)=O)nnn1C	706079200	KYXRTCUVMRGDJB-YFKPBYRVSA-N	247.096	-0.085	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H]1CO	708125456	YZTWGQKYPBUEDK-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
O=C(NCB(O)O)c1c(F)cccc1[N+](=O)[O-]	714070299	PELMSWUGSHOVAG-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
C[C@H]1[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1C	719595997	CSVBJACMOLCXLR-JXUBOQSCSA-N	238.287	-0.005	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C2CCC1(CO)CC2	723024352	WDCFYSRXKUEUTG-GHHKWEBWSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)Cc1cccc(B(O)O)c1	724135161	ACOXPROCKPUMSL-STQMWFEESA-N	249.119	-0.024	50	10	BBGE	
C[C@H]1CSCCCN1C(=O)C(=O)NN	725667210	FSNDKWQLVWLYBS-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
COC(=O)CCCCC(=O)NNc1nc[nH]n1	816632070	RPDQKYHZYWYUOC-UHFFFAOYSA-N	241.251	-0.019	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(F)CC1	830758386	BVNWLHLKKIBPGL-ZCFIWIBFSA-N	246.238	-0.022	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)[C@@H]1COCCO1	843559833	VUJVQOWJHOZIPJ-LURJTMIESA-N	232.211	-0.949	50	10	BBGE	
NC(=O)C1(C(=O)NN=c2cc[nH]cc2F)CC1	857319043	KIQYZGDWIZXOAA-UHFFFAOYSA-N	238.222	-0.649	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCN(C)C1=O	862501971	YPFXBQWWCZGWDA-SECBINFHSA-N	248.286	-0.267	50	10	BBGE	
O=C(CN1CCCC1=O)NN=Cc1cncnc1	1326235358	XQOGKVMEQIESBA-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
CN(NC(=O)[C@H]1CCCOCC1)C(N)=O	1339395695	ODRQTGPZDJLGQN-ZETCQYMHSA-N	215.253	-0.155	50	10	BBGE	
COC(=O)C(=O)NN=C(C)[C@H]1COCCO1	1340357084	REGFQOXENAVKTC-SSDOTTSWSA-N	230.220	-0.933	50	10	BBGE	
CC(=O)NNC(=O)CCN1CC[C@H](F)C1	1440721477	IIFYXABZXUACMW-QMMMGPOBSA-N	217.244	-0.412	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(O)nn1	1442297636	ZAMAENZRTTZFAC-UHFFFAOYSA-N	225.208	-0.854	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn2c1NCCC2	1464430958	OIWOBYGSZKQKER-UHFFFAOYSA-N	238.251	-0.728	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNC(=O)NCC1CC1	1464488530	ZJWZVDWBFMNIOV-ZCFIWIBFSA-N	242.279	-0.762	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1cccnc1	1558899159	SZAOBTXQEJOILL-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
C[C@H](O)[C@H](N)CNC(=O)[C@H]1C[C@H]1Cl	1883644971	KSBOHIQDNFMROO-VWDOSNQTSA-N	206.673	-0.562	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]21	1887084456	QWKQOYICXIUSLH-FXQIFTODSA-N	239.724	-0.685	50	10	BBGE	
CC(C)(CO)CN1CC[C@H](B(O)O)C1	1891537669	JUERHWFNJJJZET-QMMMGPOBSA-N	201.075	-0.446	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(CF)C1	1892435975	IEKBPEQMMOGDGX-UHFFFAOYSA-N	203.217	-0.945	50	10	BBGE	
N[C@H]1COC[C@@H]1NC(=O)C=CC(=O)Cl	1893410741	NHEOKCSWJONHAU-WDSKDSINSA-N	218.640	-0.850	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1Cl	1893461579	QKEPPSXUPQDPKW-LXGUWJNJSA-N	218.684	-0.466	50	10	BBGE	
CS(=O)(=O)CCNC(=O)/C=C/C(=O)Cl	1893498460	UKNAWEAZSMDREB-NSCUHMNNSA-N	239.680	-0.531	50	10	BBGE	
C[C@H](CC1CNC1)C(=O)NN(C)S(C)(=O)=O	1901375550	NJHUXEVWBIRZRU-SSDOTTSWSA-N	249.336	-0.845	50	10	BBGE	
Cc1nnc(CN2CC[C@](C)(B(O)O)C2)o1	1902518639	VXMDCYZNTLRTMI-VIFPVBQESA-N	225.057	-0.183	50	10	BBGE	
Cc1ccn([C@H](C)CC(=O)NN)c(=O)c1C#N	1905771985	LMBPFGDFIXHDPQ-MRVPVSSYSA-N	234.259	-0.031	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)C[C@@H]1F	1907079557	IHVSGTRPRTUHML-MUWHJKNJSA-N	242.034	-0.305	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H]1C[C@H]2CO	1907252920	VNENWVOBRKPOJU-RNJXMRFFSA-N	249.261	-0.543	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC2(CC2)C1	1914547830	JSKXUXGIESLRAV-UHFFFAOYSA-N	247.103	-0.029	50	10	BBGE	
CN(CC1(O)CCC1)CC1(C(=O)NN)CC1	1914572945	COBRPWHIYMYKMS-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](Cl)C1CN(C(=O)Cn2cnnn2)C1	1928699034	VSZKBFRFRNHHOR-LURJTMIESA-N	229.671	-0.241	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cncs1	1936535448	SFCDRHCUAUSTFZ-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)Cn2ccnc2)C1	1937195162	XUWKACAZMOFYTI-IUCAKERBSA-N	242.710	-0.079	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)[C@H](C2CC2)C1	1937463197	XJVPXDRXFITILI-VHSXEESVSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H]1CCCN(CCC(=O)NN)C1=O	1938009630	GRSZEOWBMQUFGH-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CCCCC(=O)NN	1939641104	LLMBUXGSOJINCI-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CC1(CO)CN(CCC(C)(C)C(=O)NN)C1	1940019181	WGOBDGLEKMAWSY-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N2CCCCC2=O)C1	1940289000	BWDIJOBFMCYTQU-MRVPVSSYSA-N	240.307	-0.939	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@H]1C[C@@H]1C(=O)NN)C2=O	1946991448	QGQDOIQEFGTGDA-JGBSBEFUSA-N	237.259	-0.993	50	10	BBGE	
C#CCN(CCO)C[C@@H](O)CBr	1953617551	IYGWRWJSBBJDSK-QMMMGPOBSA-N	236.109	-0.330	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@H]1C[C@@H](C(N)=O)C1	1956256101	IYJCUZWINJVRRS-RNJXMRFFSA-N	220.700	-0.218	50	10	BBGE	
CC(C)[C@@H](O)CN(C)[C@@H](C)C(=O)NN	1956485934	ZZISHMYRTPZNLQ-YUMQZZPRSA-N	203.286	-0.687	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1C(=O)NN	1956752928	JNESCFXNQZJREC-LURJTMIESA-N	200.242	-0.974	50	10	BBGE	
ClC[C@H]1C[C@@H]1N=c1ccc2nnnn2[nH]1	1957827158	ZTGDWMFEVHPMKW-RITPCOANSA-N	224.655	-0.020	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)NNCCO)C1	1960134459	LWUGPVSSPGDYBX-QMMMGPOBSA-N	212.253	-0.572	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@](=O)[C@H](C)C1	1961553856	QHKUYGVVCKUWPS-PISXGGPESA-N	233.337	-0.792	50	10	BBGE	
C[C@@H](CCl)N1CCN(c2nnnn2C)CC1	1980586257	JBKSHTAGPQPAJH-QMMMGPOBSA-N	244.730	-0.041	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1981998205	ZNGMPLFPZBQRDV-HSNKUXOKSA-N	231.246	-0.048	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ncccc1Cl	1983311631	BLXKHLUJPIFXJQ-YFKPBYRVSA-N	242.666	-0.098	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(CO)C2)C1	1985356916	JXAINAZAPDEIAV-PSASIEDQSA-N	227.308	-0.683	50	10	BBGE	
CCN1CCN(CC(C)(C)C(=O)NN)CC1=O	1996755545	FMUYRERGOITCRF-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
COC[C@H]1CCOCCN1C[C@@H](C)C(=O)NN	1998228775	YUMYTJGEVNTJHO-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CC[C@H](O)CN(C)Cc1cc(C(=O)NN)no1	1999420783	JWWYHTWMYDMDRJ-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN(CCCC(=O)NN)C1	2001047374	VWXXHFZNUTVXON-AOOOYVTPSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1ccc(N2CCC(F)(F)CC2)nc1	2004916046	HDHWTZYWPUSHRV-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
OB(O)c1ccc(N2CCOCC23CC3)nc1	2004916229	JEOOEGPAQTVWBV-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CC(C)[C@H](C)CN(C)c1ncncc1B(O)O	2004921454	WGMSFXKQEUZMKD-SECBINFHSA-N	237.112	-0.115	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)CC(F)(F)C(=O)NN	2006199320	QXBVIXGSAQIQMV-YUMQZZPRSA-N	249.261	-0.564	50	10	BBGE	
CO[C@H]1[C@@H](N2CC(=O)OC(=O)C2)COC1(C)C	2022069287	HUKLNTDCBXUZKV-XVKPBYJWSA-N	243.259	-0.436	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCCC[C@H]32)nc1	2052469441	QTHRVYKXBSECJK-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CC1)c1ncc(B(O)O)cn1	2052472630	SGBXHVGRZYHFBG-MWLCHTKSSA-N	247.107	-0.361	50	10	BBGE	
N#Cc1ccc(Cl)c(B(O)O)c1[N+](=O)[O-]	2060105823	LINDHAPXUWFSPG-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cc(B(O)O)ccc1F	2079009413	RNDLREOZGAKBHS-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CN(Cc1nscc1B(O)O)[C@@H]1CCOC1	2211137142	BJEITKREVGUSDA-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
NNC(=O)CCCCN1CC(CCCO)C1	2212383823	LKMSDOQNAYBHAC-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
COC(=O)CCSc1cc(B(O)O)ccn1	2212600643	XHJDFJRAOXLESD-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1ccc(B(O)O)cn1	2212606170	PPRPZAUXAKOJFS-DTWKUNHWSA-N	222.053	-0.980	50	10	BBGE	
CSC1CC(Nc2ncc(B(O)O)cn2)C1	2212611106	VCUHTJCUDHQMRI-UHFFFAOYSA-N	239.109	-0.538	50	10	BBGE	
C[C@H]1[C@@H](Nc2ncc(B(O)O)cn2)C1(F)F	2212611228	XHYWJLBXUAHYAP-UJURSFKZSA-N	228.995	-0.778	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H](CO)CC1CC1	2213912496	SXQCODMFUWFIBZ-JTQLQIEISA-N	241.335	-0.151	50	10	BBGE	
OC[C@H]1C=CCN1Cc1cccc(B(O)O)c1	2214596428	QESSVIHEMCUFAK-GFCCVEGCSA-N	233.076	-0.901	50	10	BBGE	
Cc1cnc(=O)n(C[C@H]2CC[C@@H]2C(=O)NN)c1	2215773344	SKIKZIQNMVIBSR-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC=CC2)c1	2217176642	YWRPAAFTPXPNCB-UHFFFAOYSA-N	233.080	-0.955	50	10	BBGE	
COC[C@H](C)CCNc1ncccc1B(O)O	2217177966	PPWCVJZQPLVEBI-SECBINFHSA-N	238.096	-0.154	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCN2)c1F	2217186965	RBFGSIPZIYKODG-ZETCQYMHSA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCCC[C@@H]2C3)nc1	2217196616	TVHCIPRZELGFJT-LDYMZIIASA-N	233.080	-0.099	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CC[C@H]1N	2220061784	DJUWTDZRCYLPGJ-GXFFZTMASA-N	248.135	-0.465	50	10	BBGE	
CO[C@H]1CC[C@H]1C(=O)Nc1ccccc1B(O)O	2220582415	GMCDZSZMNGUNFM-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H]1OC2(C)CC1(Nc1ccc(B(O)O)cn1)C2	2223639698	SNDNYCKMAPZGPH-RKWZHAFESA-N	248.091	-0.117	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cnn(C)c1	2223645579	XOWXAQBKJQCCEQ-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CO[C@H](C2CC2)C1	2223671813	PZTWGCQEYIXABX-ONGXEEELSA-N	248.091	-0.259	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1occc1B(O)O	2243363381	FYDIVPUJBHWBMH-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
O=C(N1C[C@H]2[C@H](C1)C2(F)F)C1(B(O)O)CC1	2243365329	LBRGMRFVYQHZBI-WDSKDSINSA-N	231.007	-0.283	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cc(B(O)O)cs1	2243386322	YFWDCJTWOBEXKO-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC(N)C1	2243395679	ARABLZMOIAYNFH-BGSMBAJZSA-N	226.085	-0.813	50	10	BBGE	
O=C(N[C@@H]1C(F)(F)C12CC2)[C@@H]1C[C@@H]1B(O)O	2243397297	YMZVJKGVFZFEAM-ZDLURKLDSA-N	231.007	-0.237	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCC12CCC2	2243398246	CFFAFTDEDCBMKX-VIFPVBQESA-N	221.065	-0.207	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C1CC=CC1)B(O)O	2243412380	LVPFQFMRPCPLOJ-UHFFFAOYSA-N	245.109	-0.465	50	10	BBGE	
CONC(=O)c1cc(C)c(B(O)O)c(C)c1	2243414166	VACWUMYSFFTKOP-UHFFFAOYSA-N	223.037	-0.726	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCN1	2244508667	ZUMWLOWYXAYKNL-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
C=CC[C@@]1(CO)CCCN1CCC(=O)NN	2244828066	MTNAWBWWNRXTIW-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)C1(B(O)O)CCC1	2247734386	SUUJZDLMYQHPTA-VIFPVBQESA-N	239.080	-0.462	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)[C@H]1CCCCO1	2247742004	JCEVXZWWEJCQMJ-SECBINFHSA-N	239.080	-0.534	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)nc1C	2247742237	MJNYCCBUECEADN-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccoc1B(O)O	2247748195	ZGLHCWBEIMUEME-BQBZGAKWSA-N	235.048	-0.655	50	10	BBGE	
CCC1(CNC(=O)C2(B(O)O)CCC2)COC1	2247756060	LXGFMPVSMFHPTM-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)c(OC)c1	2247783879	MIUPSMADSUQSRD-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785621	NXCPCUXKFSDFCN-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787431	OZRWUGWLXMTKLL-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CCN1	2247797877	NWSALMZFNYQOAX-WOOKNIGNSA-N	240.112	-0.504	50	10	BBGE	
Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247803392	AUVLUCYUGZPEBZ-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)C1(CO)CC1	2247805920	LFEHFIZOTSDWRU-AFPNSQJFSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1ccoc1B(O)O	2247866070	FZQKGGTUCYUMIN-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2247866663	PWJXEJJXYSWXPH-LYIWLLOFSA-N	234.064	-0.854	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)NC1CC1	2247872753	YAYSTJIBJLBROX-UHFFFAOYSA-N	236.080	-0.359	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@H]1CO)C1(B(O)O)CCC1	2247874881	QPFDEOXWQXRYIW-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)oc1B(O)O	2247892226	WMRBJVIRHZJAMD-HTRCEHHLSA-N	237.064	-0.204	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1CC(B(O)O)C1	2247892579	DBOXFJXPGKWXHG-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
CCN(CC1CN(C)C1)C(=O)[C@@H]1C[C@H]1B(O)O	2247895535	ARMLFHZENOJOHX-NXEZZACHSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897267	PYHQCDPEVZYQNU-KGDYZURWSA-N	241.096	-0.126	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)on1	2247898939	IUUYJMSSXNGBGN-BDAKNGLRSA-N	238.052	-0.196	50	10	BBGE	
CN(C)CCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899702	PLKMYTWCBQEQLV-VHSXEESVSA-N	240.112	-0.741	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H](CCF)C1	2247899783	QBQTTZQHJMKQDL-DJLDLDEBSA-N	245.059	-0.564	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247899821	QKUGMTHIAXFGQC-LJGSYFOKSA-N	243.068	-0.693	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1O	2247963848	REZAQHCAXYBGCJ-SSDOTTSWSA-N	235.048	-0.624	50	10	BBGE	
CC(C)N(O)C(=O)Nc1ccccc1B(O)O	2247971069	BNHAUMSBQAULGT-UHFFFAOYSA-N	238.052	-0.002	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2248587597	RSCMDGJOUCXZOX-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
COC[C@@]1(C)C[C@H]1Nc1cc(B(O)O)ccn1	2248708615	ROUQHRBZIKEIFP-MWLCHTKSSA-N	236.080	-0.402	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H](F)C1	2249418286	RKGQEHCJKJAPGA-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1cocc1B(O)O	2249424057	NVZGZQZSDXELBH-BQBZGAKWSA-N	241.027	-0.468	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2250993357	KIXSWNXBWBLOBF-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2251726379	JJYXNGUGXGZASE-IVZWLZJFSA-N	240.112	-0.693	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@@H](CCC(=O)O)C1	2252699063	HTNNPBPRPKNWDL-QMMMGPOBSA-N	245.279	-0.262	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(OC)cc1B(O)O	2255527478	MFOZNQXCPBKQPU-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cncc(B(O)O)c1	2255528328	AGVQWQQAZMNMHT-VIFPVBQESA-N	246.075	-0.849	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]12	2258151097	KHWHHROIRRZDHB-HRDYMLBCSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2298367709	RQBKGWSRWMSLJS-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376794	OPDMJKGLCMPJTG-IVZWLZJFSA-N	240.112	-0.693	50	10	BBGE	
C[C@@H]1C[C@]2(CCN(C(=O)C#CB(O)O)C2)CO1	2299101014	CPMNPOMGHHPBAX-KOLCDFICSA-N	237.064	-0.971	50	10	BBGE	
CNC(=O)C[C@H]1CCCN([C@H](C)C(=O)NN)C1	2299680785	WLHJTSQNQMSVNL-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC[C@@H](O)C1	2300374961	XGWPUGXABCUMLK-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301421423	ULQSHFYVOBRJDO-QMMMGPOBSA-N	237.064	-0.374	50	10	BBGE	
CC[C@@](C)(CN1[C@H]2C[C@@H]1CN(C)C2)C(=O)NN	2303412888	GDABEZFWXAHTQU-UMNHJUIQSA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCOc1ncc(B(O)O)cn1	2303535485	WFHMJFRKMPVKDE-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
C=C[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303834861	MXPLUZBJMWXGDB-MRVPVSSYSA-N	236.055	-0.087	50	10	BBGE	
CNCCCCOc1cc(B(O)O)c(F)cn1	2303856894	ZGVRUTPWDFZGJY-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2N3)nc1	2312612138	BVPQAMSSTSUWSH-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2[C@@H](C)C[C@H]2C)n1	2316993745	HAHFQVLBCUEGKT-VROVMSAKSA-N	249.123	-0.054	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@](C)(B(O)O)C2)ncn1	2319680437	PXOOPCLFYFJNGH-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1O[C@H]2CC[C@H]1C2	2327634251	NSJMMOHVQZMJOP-QXEWZRGKSA-N	249.075	-0.292	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOCC1	82466065	KDRYETAUYKUCGR-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN1CCCC1	82469062	UHDQBKDSSDTWJS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CCn1c(SC[C@@H](C)C(=O)NN)n[nH]c1=O	82472681	QRQGZENEDBDJHX-RXMQYKEDSA-N	245.308	-0.691	50	10	BBGE	
C[C@@H](CN(C)CC1CCOCC1)C(=O)NN	82545690	PPTXBXLAQPEHEB-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
O=C1[C@H](Br)CCN1C(CO)CO	83696041	IKXSXTIPRRTICZ-ZCFIWIBFSA-N	238.081	-0.665	50	10	BBGE	
Cc1ccoc1C(=O)NNC(=O)c1c[nH]nn1	104645447	BYEXMVLUYJPCLN-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CNC(=O)CN(C)Cc1cc(C(=O)NN)co1	110574854	LXSUPIQYUMTHHV-UHFFFAOYSA-N	240.263	-0.939	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1[C@H](C)CC(=O)NN	110590242	FOOVRWSSYKULAU-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](CO)N(C)CC(=O)NNC(=O)C1CCC1	131891100	OPHFWSRYBYHCSQ-MRVPVSSYSA-N	243.307	-0.754	50	10	BBGE	
O=c1cccnn1C[C@H](O)CBr	156256636	HTYBMZRRUCGTLK-ZCFIWIBFSA-N	233.065	-0.001	50	10	BBGE	
O=C=NCNC(=O)N[C@@H]1CCc2cn[nH]c2C1	170294193	ZZGHEDGZJMUVAF-MRVPVSSYSA-N	235.247	-0.141	50	10	BBGE	
CCCOCCO[C@@H](COC)C(=O)NN	232418399	XCCOJQQMJJRCKO-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
CCOCOc1cnc(Cl)cc1B(O)O	238284053	BTIJRYOLIYLSEV-UHFFFAOYSA-N	231.444	-0.212	50	10	BBGE	
OB(O)c1cccc(-c2cncnc2)c1	238650230	NSIHBPSRJMKJKA-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](C)(O)C1	300028831	GJIWBIDHLQXXEI-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1	306176643	WRDFSYNRLAXIKU-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
Nc1cnc(C(F)(F)F)cc1B(O)O	306488788	SBFQVANCTCIOBZ-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OB(O)c1cc(O)c2c(O)csc2c1	307121259	UGXVODVTRLOWPK-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Cn1ncc([C@@H](Cl)C(=O)N2CCOCC2)n1	309849852	XBCSWQLZHQUBHV-MRVPVSSYSA-N	244.682	-0.046	50	10	BBGE	
CCN1CCCN(CC(=O)NN)[C@H](C)C1	320662823	IGOPWSPGTALVGR-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1B(O)O	383864476	OLRHHDWLAYQDLH-WYCDGMCDSA-N	240.112	-0.781	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCC(=O)NN)[C@@H](C)O1	385003856	WCOMTVPHLVFZSQ-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
COc1cccc(CC(=O)CCl)c1B(O)O	396022317	MFLCQDQCXPUIGD-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
N#Cc1c(CCC(=O)O)cccc1B(O)O	396096842	IBTIAVKYCLNPHM-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)c2[nH]cnc2c1	396115025	VPWYMSMFDOJISO-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
Nc1c(CO)sc2ccc(B(O)O)cc12	396246599	OWGTZJKKTPMTRZ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnns1	400015278	HPLDSGXKKCUTNN-ZCFIWIBFSA-N	229.309	-0.262	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)CO1	403782876	ACJAHIRVWGUXNK-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)C(=O)N1CCCC(F)(F)C1	404941843	MFESZPYTPGWQDF-UHFFFAOYSA-N	207.180	-0.766	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)NC1CCC1	405134769	IXUXBWYJKCDAHU-UHFFFAOYSA-N	235.052	-0.565	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584968333	KIQOJUHFLJATAW-GZMMTYOYSA-N	249.075	-0.726	50	10	BBGE	
NS(=O)(=O)N1CCCO[C@H](Cl)C1	616651382	RUJIRSBQEKUOTM-YFKPBYRVSA-N	214.674	-0.523	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)CC[C@@H]1C	688752324	CYXMUUZBIONZOK-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@]12CCC[C@H]1C2	693137564	MEBMWBDKBYLWFH-UFBFGSQYSA-N	246.075	-0.110	50	10	BBGE	
Cc1nn(CCn2ccnc2C)c(C)c1B(O)O	694228247	KPCXKZBIDNTURM-UHFFFAOYSA-N	248.095	-0.615	50	10	BBGE	
OB(O)c1ccn(CC2C[C@H]3C[C@@H]3C2)n1	698019449	WHQYTIKPRHAJSN-IUCAKERBSA-N	206.054	-0.391	50	10	BBGE	
CN1CCN(CCOCCCl)[C@H](CO)C1	699492705	YXODRTAQHJAUOD-JTQLQIEISA-N	236.743	-0.150	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703809752	WEGAMZAVAQWWLG-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1ncc(B(O)O)s1	704170786	XETSQBFBETVGEK-YFKPBYRVSA-N	243.097	-0.257	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)C[C@H]1C	706194978	SYIPLBUZLDDLKK-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
CC(C)(CN1C[C@H](F)[C@@H](F)C1)C(=O)NN	714557900	JGEHWOSHBLHHTR-BQBZGAKWSA-N	221.251	-0.006	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)CCO1	720456179	ULHCCFUVBUYNCS-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
Cn1ccc(C=NNC(=O)[C@H]2COCCO2)c1	749861349	PGKDOZPHDDHEDT-SNVBAGLBSA-N	237.259	-0.109	50	10	BBGE	
CNC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	1136379108	UOHZEKSUBQSNCM-UHFFFAOYSA-N	232.240	-0.218	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C/[C@H]1CCOC1	1138284542	RZFWDLGZQWKMEU-RTMURIBGSA-N	242.275	-0.503	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1597672461	VWGGGJVOWCKTMU-RQJHMYQMSA-N	242.279	-0.762	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)NOCC1CC1	1681457663	DPJINDDTQSWKFS-UHFFFAOYSA-N	239.235	-0.305	50	10	BBGE	
CC(N)=C(C#N)C(=O)CN1CCOCC1	1875408657	WXBLUGOSYMYPBB-UHFFFAOYSA-N	209.249	-0.356	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@@H]1C[C@H]1Br	1877335155	YCGJJGXZBYKLQG-QWWZWVQMSA-N	246.068	-0.401	50	10	BBGE	
COC[C@@H](CC(=O)NN)NC(=O)OC(C)(C)C	1880025081	YLSYOAYHZAJXSO-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
O=C(CCBr)NOCCO	1880074327	ZNSUHECDPLTWCX-UHFFFAOYSA-N	212.043	-0.189	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NC[C@@H]1C[C@@H]1Cl	1883550910	HJJSCWQMXSSOAS-AXMZGBSTSA-N	206.673	-0.562	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(N)=O)CCO1	1886029387	JGCKBAFLDOWFAZ-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@H]1CCOC1	1886077261	SYRIVRZBDANTAD-BIIVOSGPSA-N	200.238	-0.582	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCNC[C@@H](O)C1	1893453442	NCBCRKXHMPUJHO-PRJMDXOYSA-N	218.684	-0.594	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@](C)(O)[C@@H](O)C1	1894992942	ULTIUWZRSQJMGD-ZKWXMUAHSA-N	221.684	-0.042	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cnsc1B(O)O	1900452303	QMSMUDRWTADJTD-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@@H]1C[C@H]1C(=O)NN	1900530469	XUWVYZXEISGKRP-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CC[C@]1(C)N)S(C)(=O)=O	1901339485	OQDGRCCLFGEDQX-BDAKNGLRSA-N	249.336	-0.574	50	10	BBGE	
C[C@H]1CC2CC(CN(C)CC(=O)NN)(C2)O1	1902489861	PNZDBZAPGMAFJF-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
C[C@@]12C[C@H]1CN(Cc1nc(B(O)O)cs1)C2	1902643393	YLNKXSBWQVODNQ-XVKPBYJWSA-N	238.121	-0.335	50	10	BBGE	
C[C@H](O)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903010702	SHWLOHZUMPTFAX-RITPCOANSA-N	228.032	-0.918	50	10	BBGE	
C=CC[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1903159252	XCNFKFGJHDHYAZ-RQJHMYQMSA-N	229.041	-0.759	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cscc1B(O)O	1905064017	AZDQDBDJYJIFFV-OLQVQODUSA-N	243.068	-0.342	50	10	BBGE	
O=C(N1CCC[C@H](O)C1)N1CC[C@H](B(O)O)C1	1905583034	FKPWGEPHVBETIX-IUCAKERBSA-N	242.084	-0.888	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1907660044	QKPHGYOGWINHHT-IVZWLZJFSA-N	247.314	-0.347	50	10	BBGE	
CN(CCC#N)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909808145	KHXLLEKKGPQRRL-UWVGGRQHSA-N	240.307	-0.241	50	10	BBGE	
CO[C@@H]1CCN(C[C@H](C)C(=O)NN)[C@H]1C	1914334885	LPHLTUKHWRDDRL-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
CC1(C)CCCO[C@H]1CNC(=O)C(=O)NN	1923776530	WNHGYRQHPUDZIB-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1O	1936090016	XXCFIKBOIYIMOS-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
Cn1nc(C(=O)NNC(N)=S)cc1C(F)F	1936172586	DIHFOGFFBJEUNF-UHFFFAOYSA-N	249.246	-0.164	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@H](O)CC[C@H]21)C(=O)NN	1940523135	FPMJZXWQJXQXHG-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
CCCCN(CC(N)=O)C[C@@H]1C[C@H]1C(=O)NN	1941092468	AHDSMDQSFLJXDX-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
Cc1ncc(OC[C@H]2CCOC2)cc1B(O)O	1944011086	LYANHOKHLYHOGV-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
O=C(NNCCO)C1(Br)CCC1	1953403429	UWCKRFVUXYSDHT-UHFFFAOYSA-N	237.097	-0.083	50	10	BBGE	
CNC(=O)C1(NC(=O)CBr)CC1	1953481895	BUCIWTIZCJVKHW-UHFFFAOYSA-N	235.081	-0.224	50	10	BBGE	
O=C(CC(F)(F)C(F)F)NNCCO	1954999635	LNFBSQBLATZTSH-UHFFFAOYSA-N	218.150	-0.110	50	10	BBGE	
OCC[C@@H]1CN(C[C@H](O)CCl)CCO1	1956982308	KAHNMWBIECTLLE-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
O=C(N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)OCCl	1957280413	KAGBAHBROLLNGD-FPFOFBBKSA-N	239.680	-0.048	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957357947	ARIDPCOQUBEXTH-RNFRBKRXSA-N	236.362	-0.082	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1NC(=O)C(=O)NN	1959143629	KMOXPTZOGNRKIB-BBIVZNJYSA-N	225.170	-0.567	50	10	BBGE	
Cn1cc(CCN[C@H]2COC[C@@H]2Cl)nn1	1960021369	GRXYSYPUZNPYTK-IUCAKERBSA-N	230.699	-0.047	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1961573303	XTWYZVUZVGEFMS-BZNPZCIMSA-N	213.281	-0.790	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@@H]1C	1961674309	BQJLPDWTUFKURN-JGVFFNPUSA-N	206.054	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]1CN(C)C	1976934506	SPYWGHXQAFUTBC-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ncc(B(O)O)s1	1977196119	APUIMVOMVJHXST-KCQQBQQISA-N	240.093	-0.337	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(CCOCC(=O)NN)C2	1979832789	AAZPGVLEFPVVAC-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)c1cnn(C)c1	1980915978	FSVJMGMFAUCXPB-UHFFFAOYSA-N	223.280	-0.374	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217895	YRYLIMLPBNXUEG-RGOKHQFPSA-N	227.308	-0.544	50	10	BBGE	
CCC1(C)CN(c2ncncc2B(O)O)C1	1981414024	MYKOACMVLDPXOP-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1ncc(B(O)O)cn1	1981414027	MZUPCNVIRLWDHT-IONNQARKSA-N	221.069	-0.609	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCC[C@H]1CO	1981554948	VUCUAZHFVCNBRQ-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CN(C)CCOCc1occc1C(=O)NN	1982819607	TZUKSQSEOUSLPX-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
NNC(=O)C1(CN2CC=CC[C@@H]2CO)CC1	1983181785	RLPZXDYQDYCYQF-SECBINFHSA-N	225.292	-0.621	50	10	BBGE	
CC1(C)CN([C@@H]2CCN(CC(=O)NN)C2)C1	1983411907	RKMKYVAUGRUMLO-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
Cc1ncncc1CN(C)[C@H](C)C(=O)NN	1984240875	GVMFFJNDUHJGFQ-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
C[C@H](CN1C[C@H](CO)CC1(C)C)C(=O)NN	1986377510	CPYZRKSZFPZTKC-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	1986733158	ZOVQEQHICKDZIC-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2COCC[C@@H]21	1989935888	MCJGPIJZNSVIQB-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
NC(=O)C1(NC(=O)[C@@H]2C[C@H]2Cl)CCNCC1	1991680609	RTIHVANJTSFVBN-RNFRBKRXSA-N	245.710	-0.663	50	10	BBGE	
C[C@H](O[C@@H]1C2CCN(CC2)[C@@H]1C)C(=O)NN	1992113537	LKEWAJZFXZTVMD-WEDXCCLWSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@H]1COC2)C(=O)NN	1992316890	UBSRZKOUNUBOBL-GUBZILKMSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2COC[C@@H]21	1992340421	ZDGZCXZQNUQEJE-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(CCF)C2)O1	1996954469	ZFXQIOMXQLLYSR-UWVGGRQHSA-N	245.298	-0.185	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CC(F)(F)C(=O)NN)C2	1997867806	IIDLSAWVLCNWHP-SFYZADRCSA-N	248.277	-0.753	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC12CC(CO)C2	1997986325	HUYJXMGQDCYMMM-RKVXJDFWSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@H]1C(=O)NC2	2004791036	FKCAUETZSTZUQI-VGMNWLOBSA-N	240.307	-0.892	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1ncc(B(O)O)cn1	2004917385	BXNOAGBCDFAQLQ-ZCFIWIBFSA-N	243.022	-0.610	50	10	BBGE	
CC(C)(COCCN1CCOCC1)C(=O)NN	2007037027	TVLZXCQJJMFHMU-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
COc1ccncc1CN(C)C(=O)C(=O)NN	2008256519	FQIQUXQFIFNHQK-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=CC[C@H]1CO	2008869760	FQRAVRTVGXTSQM-QMMMGPOBSA-N	249.261	-0.376	50	10	BBGE	
CN(C[C@@H]1OCC[C@H]1F)C[C@@H]1C[C@@H]1C(=O)NN	2009201486	GKLPFFMHGFYCRX-QEYWKRMJSA-N	245.298	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCOCC2=O)C1	2010833124	OUMQQPCBXMHFIH-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011132555	UAJPDYKPOYIGAE-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(CCOCCn1cncn1)C(=O)NN	2012465781	RNXXAXORWMXKFD-UHFFFAOYSA-N	241.295	-0.299	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H]2C1	2012905292	YXBCBFUKJFJGNS-FXPVBKGRSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCN(C)C(=O)C1)C(=O)NN	2014834603	RMTBGOAOGOBEIF-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
Cc1nn(C[C@H]2[C@@H]3COC[C@@H]32)c(C)c1B(O)O	2015133559	QVJJCYAJTOSKOW-OWUUHHOZSA-N	236.080	-0.928	50	10	BBGE	
C=C(COCCOCCOCCOC)B(O)O	2021158981	LMJXHNLZJLMSQV-UHFFFAOYSA-N	248.084	-0.749	50	10	BBGE	
CO[C@@H]1CCN(CCCC(=O)NN)C[C@H]1OC	2022123786	JNMMYXQWATUCEM-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2022196913	UQILQDXCSYHYJD-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
C=C[C@@]1(CO)COCCN1[C@@H](CC)C(=O)NN	2022251967	YUBIWVUNKSDPIT-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccccn1	2040767502	SIWIJCAQHPVUPY-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2052470462	DWGBGDNOLGBFKB-OPRDCNLKSA-N	247.107	-0.219	50	10	BBGE	
CCc1cc(B(O)O)c(F)c([N+](=O)[O-])c1	2060090706	IPAYIELRBKMRFY-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
C#CC1CC(NC(=O)c2ccccc2B(O)O)C1	2079008466	JYWQACGFMXKEHG-UHFFFAOYSA-N	243.071	-0.492	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@@H]1C1CCC1	2079930133	CSLISFBLMTXFAP-VHSXEESVSA-N	248.091	-0.029	50	10	BBGE	
Cc1nc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1B(O)O	2086990725	OCYXLBMRDPIXCB-CDDJKKQXSA-N	246.075	-0.502	50	10	BBGE	
C=CCCOC(=O)N[C@H](CB(O)O)C(=O)O	2212130534	WVYPEOFGMKXRFL-ZCFIWIBFSA-N	231.013	-0.785	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(CCCO)C1	2212383716	JXAHEBATPDDNMB-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C#CC1(Oc2ncccc2B(O)O)CCC1	2212603088	CBQNPOCIFVUTCZ-UHFFFAOYSA-N	217.033	-0.304	50	10	BBGE	
CC[C@H](COC)Nc1cc(B(O)O)ccn1	2212615913	WRUZTWUQUYESDE-SECBINFHSA-N	224.069	-0.402	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2214605576	MVSHWKKMKXEHAC-CABZTGNLSA-N	235.092	-0.679	50	10	BBGE	
COC12CC(C1)N(C[C@H]1CC[C@H]1C(=O)NN)C2	2215771243	GZRUWTIOXAQZBW-DKZWSVDFSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1cc([N+](=O)[O-])cn1	2215773470	SQYAZACHAGAPNS-POYBYMJQSA-N	239.235	-0.193	50	10	BBGE	
COCC1(CNc2cc(B(O)O)ccn2)CC1	2217172685	LRLHBPWSBILBKP-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@](CO)(Nc1cc(B(O)O)ccn1)C(F)F	2217175587	KVASYYCFKDPQOJ-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
Cc1c[nH]c(=NCCOC2CC2)cc1B(O)O	2217182809	HCAHWQLWOFTRKT-UHFFFAOYSA-N	236.080	-0.917	50	10	BBGE	
N[C@H]1CC[C@@H](COc2ncccc2B(O)O)C1	2217184116	MWCIVZVILJRHLR-BDAKNGLRSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(O[C@H]2CC[C@@H](N)C2)cc1B(O)O	2217185654	ZXCCGLFSYXUZDW-BDAKNGLRSA-N	236.080	-0.672	50	10	BBGE	
CO[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217204365	IPIIUGQPQKWODV-RKDXNWHRSA-N	236.080	-0.259	50	10	BBGE	
CN(Cc1ncccn1)C[C@H]1CC[C@H]1C(=O)NN	2221561065	JWCAQDUFUULFDO-NXEZZACHSA-N	249.318	-0.076	50	10	BBGE	
NNC(=O)C1(CN2CC(n3ccnc3)C2)CCC1	2222577313	JNNBGLAUOPDWHO-UHFFFAOYSA-N	249.318	-0.100	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@]12CCCOC2	2223628136	PBABDBHPRJTSDP-PWSUYJOCSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cnc(NCc2ccc(F)cn2)nc1	2223642570	KZUIATBDNUCHGK-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CCOC[C@H]2C3)nc1	2223653332	PWSVOHSZXQFFPP-SKDRFNHKSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1N1CCNCC12CCC2	2223673083	DRSJWIPBRBOLBP-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)C(F)F	2241468196	IWWBCIDSZZBXFN-RXMQYKEDSA-N	204.969	-0.838	50	10	BBGE	
O=C(NCC=CB(O)O)c1cscn1	2241555627	NXZYFKXBCTZZGF-UHFFFAOYSA-N	212.039	-0.559	50	10	BBGE	
CSC[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243349767	QDLMGELENSFKIC-VIFPVBQESA-N	241.121	-0.397	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccccc1F	2243356333	GEJXAWZNIONHFX-UHFFFAOYSA-N	220.996	-0.196	50	10	BBGE	
CCONC(=O)c1c(C)cccc1B(O)O	2243374224	BWATYDFWUPUBRU-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)c(C)s1	2243381159	CVOYMJZAVZBWEF-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2243392806	XGIUNDLLZOCZSX-JBDRJPRFSA-N	226.085	-0.894	50	10	BBGE	
C[C@H](O)C[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396174	ISUKHMAJCVBWJC-DKATWDMPSA-N	229.085	-0.485	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)C1CC(B(O)O)C1	2243397316	YUUOXPPWUPJEAC-PEBLOWIWSA-N	227.069	-0.731	50	10	BBGE	
C[C@@H]([C@H]1CC1(C)C)N(C)C(=O)C#CB(O)O	2243398206	BTKSSDDYASXKSM-DTWKUNHWSA-N	223.081	-0.105	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)o1	2243399785	QKOIHXTVCRVWDY-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
O=C(N1CC2(CCOC2)C1)C1(B(O)O)CC1	2243411238	QJWMLMNEWJLRMJ-UHFFFAOYSA-N	225.053	-0.758	50	10	BBGE	
C[C@H](C[S@](C)=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427497	WKLVCUYXVSLGQY-SVTLFGBLSA-N	247.125	-0.877	50	10	BBGE	
CC(C)COCCNC(=O)[C@H]1C[C@H]1B(O)O	2243427723	ZVBGWQSTOLPCHX-DTWKUNHWSA-N	229.085	-0.362	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)co2)CC1	2244213001	YFSMDGWDCRGELH-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)co2)C1	2244220575	DYEGEXWLLFMEFN-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C=CCN(OC)C(=O)c1sncc1B(O)O	2244272261	OQVYVFJWPQPPLP-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
C[C@H]1CCC[C@@H]1C(=O)NCCC#CB(O)O	2244545655	AKPQQJMMBIBNAQ-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(CF)CCC1	2244547284	XXDMGEYQLAFONU-UHFFFAOYSA-N	227.044	-0.352	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](O)[C@@H]1CC	2245129064	FMJVKQYLHMORCC-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](C(F)(F)F)C1	2247743813	JRKWEGCAJZCMRR-SSDOTTSWSA-N	248.997	-0.197	50	10	BBGE	
O=C(NC1C[C@@H]2COC[C@H]2C1)C1(B(O)O)CC1	2247750381	IQIFNTMJAXPJAH-HTQZYQBOSA-N	239.080	-0.465	50	10	BBGE	
O=C(NCC[C@@H]1CCCNC1)C1(B(O)O)CC1	2247750715	NCVLVMQURDJMKA-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
O=C(Nc1ccns1)c1cncc(B(O)O)c1	2247775167	IDWDISVJBZYNRN-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247787225	MGGGXSCKULMYFL-WLRJLXCNSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC(CO)CC1	2247787383	OKMFVFDKUZEZCX-AOOOYVTPSA-N	241.096	-0.530	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247804704	HYIHPVPQJQTFBU-JXUBOQSCSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](N)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247810645	ZADFPINRJDJGFK-FXBDTBDDSA-N	240.112	-0.565	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1ccoc1B(O)O	2247851393	FBAJUACBDQZURY-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2247851464	YTUVNALCHOSDBP-SVRRBLITSA-N	248.997	-0.294	50	10	BBGE	
COC1(OC)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247860015	QSBPVDZUXAYCNT-CSMHCCOUSA-N	243.068	-0.883	50	10	BBGE	
COC(=O)C1(C)CN(C(=O)C2(B(O)O)CC2)C1	2247872209	ORYZQPSGRYMMNA-UHFFFAOYSA-N	241.052	-0.985	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CC1	2247872225	OWZWKWDOVMFVBG-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2247877979	GTRQBYPXUKUROK-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896011	WROXQYBDFFCJTA-AEJSXWLSSA-N	243.112	-0.237	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2247897946	YQGMUQVPATUDOY-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
CO[C@H]1C=C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908921	BUXYXSJXWWNDIM-RGOKHQFPSA-N	239.080	-0.301	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)C1CC(B(O)O)C1	2247911693	XGACAWCLWHEBOE-JNORSNDXSA-N	239.080	-0.610	50	10	BBGE	
O=C(O)CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2248574728	UXLWIQNCMVVQRT-LJGSYFOKSA-N	241.052	-0.685	50	10	BBGE	
C/C=C/C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248575751	HXFGWKPTLFHWJT-RWTWQBKTSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1CCC1	2249424527	UNDACHKGHVTSHU-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250702575	IADKSYNJAWTGDV-FOLWWEGKSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2(CCCC2)C1	2255469256	MUSHELXYNLLMKB-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
CCOc1cccc(CNC(=O)C#CB(O)O)n1	2255472620	GWMCYKHHLTYHHH-UHFFFAOYSA-N	248.047	-0.888	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N(C1CCC1)C1CC1	2255555061	VQJUQIFAJXGYBK-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2[C@@H](C)[C@H]2C)c1B(O)O	2255581920	RXDTUJVKYZAWNC-DIYOJNKTSA-N	248.091	-0.546	50	10	BBGE	
C#CCCCCNC(=O)c1ncccc1B(O)O	2255690560	COVHEFIZMGPCJB-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CC=CC[C@@H]21	2255733666	ORYYXFIDNNUGMR-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NCCC#N	2255747380	JSQXYQOWSDSKTN-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccc(CN)cc1	2255772066	ZXORWCNSTMWAFE-QWRGUYRKSA-N	248.091	-0.029	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2298357590	XZMGIIPMVQVMKR-KBDSZGMXSA-N	237.303	-0.083	50	10	BBGE	
O=C(c1cscc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298374902	DSACGTKPIMKPCV-JGVFFNPUSA-N	249.100	-0.172	50	10	BBGE	
CN(C)CCOc1cc(B(O)O)cc(F)c1F	2300477745	KKWNXVYFNDFLDO-UHFFFAOYSA-N	245.034	-0.415	50	10	BBGE	
CN(CCOC1CCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2300892914	KJCUMCCAMIYARF-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1O	2301344981	ANIYLQIAZMORLX-GHMZBOCLSA-N	232.048	-0.827	50	10	BBGE	
C[C@@H](CO[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	2301615340	XLYVGOLKRDJRFA-XHNCKOQMSA-N	239.279	-0.376	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)CC(B(O)O)=C(C)C	2301850495	KSGBIBOMLNOMCY-WDEREUQCSA-N	243.112	-0.320	50	10	BBGE	
CCC#CC(=O)Nc1ccc(F)cc1B(O)O	2302831158	RNSOAVUZNHGUBN-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
OB(O)c1cc(NCc2ncc[nH]2)ncc1F	2303836031	HCGSTQNLAHLTMD-UHFFFAOYSA-N	236.015	-0.764	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3cc(B(O)O)ccn3)C[C@H]12	2308839446	SZXNYDKLEVQZIS-VMAXQDLPSA-N	246.075	-0.254	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](c2ncc[nH]2)C1	2312850609	NKZGPHSYPRLGIQ-XHNCKOQMSA-N	249.079	-0.412	50	10	BBGE	
CC(=CCNC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2315255147	XEMIXLJTVUNHQH-UHFFFAOYSA-N	248.091	-0.219	50	10	BBGE	
CO[C@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317151819	VMCRPKXTOBWKDJ-NSHDSACASA-N	246.075	-0.537	50	10	BBGE	
CNC=C(C#N)C(=O)NC[C@H]1CCCO1	2324797555	GCHWOTDIFYHLGS-SECBINFHSA-N	209.249	-0.092	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)NCC	65189338	SFLZBIIJUSVBTL-UHFFFAOYSA-N	230.268	-0.747	50	10	BBGE	
CN(C)C[C@@H]1CCCN1CCCC(=O)NN	82468630	KNYXHOBLUBOQGZ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
NC(=S)NNC(=O)Cc1cccc(O)c1	83590970	STCGQEMFIYOBIC-UHFFFAOYSA-N	225.273	-0.201	50	10	BBGE	
C[C@H](CN(C)CC(C)(C)O)C(=O)NN	86275146	RHKRHRRBYCOLJN-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](CN1CCN2CCC[C@@H]2C1)C(=O)NN	86933501	ZLKVQYUEBOGHJB-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1CCN(C)C1	93071883	UTDRDQXICBNDME-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125792406	ILBUVSXXOQVEAH-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CN(CCCCC(=O)NN)C(C)(C)CO	134189788	MRACIVJALLPEJR-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCOC1	134791205	DQILNYFMLNLHBI-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
N#Cc1ccc(C(=O)NN=C(N)N)cc1	143922971	AKHFZFRUQJDIGP-UHFFFAOYSA-N	203.205	-0.524	50	10	BBGE	
NC(=O)c1ccc(S(=O)(=O)N=C=O)cc1	157727241	FSPJACSHLQMPNG-UHFFFAOYSA-N	226.213	-0.190	50	10	BBGE	
Cn1c(SC[C@H](O)CCl)n[nH]c1=O	157928260	XCMSSCZTQPQFBP-SCSAIBSYSA-N	223.685	-0.200	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	158716403	DHKOWDBWZVWJDX-WDSKDSINSA-N	202.210	-0.059	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)CCC(=O)NN	161681295	MAJJCAXTXVFYRK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](O)CNC(=O)CCBr	168465398	POWLBDAFNGVELY-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
CC[C@@H](CC(=O)OC)NC(=O)NCN=C=O	170294196	OYJBGQGLKWVCLE-ZETCQYMHSA-N	229.236	-0.079	50	10	BBGE	
Cn1cc(Br)cc(C(=O)NN)c1=O	200689835	DRCZLPCYDRNVED-UHFFFAOYSA-N	246.064	-0.249	50	10	BBGE	
C[C@H](CC[S@](C)=O)N1CC(=O)OC(=O)C1	230112677	HKOJBMNKMAJGMN-MLXNANBUSA-N	233.289	-0.471	50	10	BBGE	
C[C@H](NC(=O)[C@@H](C)Br)C(N)=O	235063065	ZGANFLBQALQWRV-DMTCNVIQSA-N	223.070	-0.240	50	10	BBGE	
C[C@H](O)C1CCN([C@H](C)C(=O)NN)CC1	235528510	DVHMFWGICXWZDY-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@](C)(N)C1CC1	236905837	SREFTGONLHXWSD-VIFPVBQESA-N	215.253	-0.109	50	10	BBGE	
C[C@@H](Nc1nc(N)nc(N)n1)C(=O)Cl	238406466	OVUINZYBOYRZKY-UWTATZPHSA-N	216.632	-0.398	50	10	BBGE	
O=C(CCl)NCC1C(=O)CCC1=O	238532049	DIKNPRXELGXAFK-UHFFFAOYSA-N	203.625	-0.110	50	10	BBGE	
Cc1nc(N)[nH]c(=O)c1NC(=O)CCl	238545779	JJUCWCNBNIGSDH-UHFFFAOYSA-N	216.628	-0.162	50	10	BBGE	
CNC(=O)NNC(=O)C(F)(F)Cl	306415948	VTWJDANXMFUMTH-UHFFFAOYSA-N	201.560	-0.222	50	10	BBGE	
Nc1cc(N)c2scc(B(O)O)c2c1	306955436	AOUXVSGPYBPFHI-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COC[C@@H](C)CN(C)[C@@H](C)CC(=O)NN	309077914	MVAXWVNCYXGINW-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
COc1cc(N)c([N+](=O)[O-])c(C(=O)NN)c1	309370673	DQRAMVYTHZILOZ-UHFFFAOYSA-N	226.192	-0.211	50	10	BBGE	
C[C@@]1(CN)CCN(CCCCC(=O)NN)C1	309466190	VVQPZOLORMGPKG-NSHDSACASA-N	228.340	-0.183	50	10	BBGE	
CCN(CCOCCO)[C@@H](C(=O)NN)C(C)C	383029033	CEKBDEITRYYPNR-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NCC(=O)N1C	384185706	JSNXBVZTKQXYBP-SOFGYWHQSA-N	209.205	-0.654	50	10	BBGE	
C[C@H]1CN(Cc2nc(C(=O)NN)co2)CCO1	387035805	UDUOIEZEBMFVPJ-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
COC(=O)CCc1ccc(C#N)c(B(O)O)c1	396114068	UOMAFOHZLWKBJN-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
Nc1ccc2sc(C(=O)O)c(B(O)O)c2c1	396251515	YLFPFOAVNHVYRK-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401718399	XKCZDNPQASKEJS-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](NCc1ccccc1B(O)O)[C@@H](C)CO	585025494	VUZVXAWKKKVGGT-UWVGGRQHSA-N	237.108	-0.527	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	688489684	WTSGGAOBGLHSPP-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CN(C[C@H](O)CCl)CC(C)(CO)CO	689330336	HCXAYHQHBYSMCS-MRVPVSSYSA-N	225.716	-0.491	50	10	BBGE	
CN(CCC(=O)NN)[C@@H](CO)C(C)(C)C	689782819	CVYVXKPNLCOUJG-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@H](C(=O)NN)C(C)C	689810308	KKJXRJCDEBKJBZ-GXSJLCMTSA-N	247.339	-0.670	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCOC2)CC1	692108980	YRYHYPCHRZAYJU-VIFPVBQESA-N	224.260	-0.100	50	10	BBGE	
OB(O)c1ccn(Cc2ccc(O)cc2)n1	694229376	PFFCNGLKSHOOIQ-UHFFFAOYSA-N	218.021	-0.683	50	10	BBGE	
OB(O)c1ccn(CCC[C@H]2CCOC2)n1	694273671	ZAIKBSHNKXLSHJ-VIFPVBQESA-N	224.069	-0.620	50	10	BBGE	
COC[C@@H](Cl)CN(C)Cc1nnnn1C	697723588	AFGHQYYRLULCDR-ZETCQYMHSA-N	233.703	-0.104	50	10	BBGE	
O=C(NCB(O)O)c1ccc(O)cc1F	702008898	YQUIBTFHHXIQBR-UHFFFAOYSA-N	212.973	-0.727	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@]2(C)C1	702397024	HDYCPBOBHFQWNP-YWVKMMECSA-N	226.324	-0.752	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507665	CUPTZPLRFYNVCC-BGZDPUMWSA-N	242.323	-0.803	50	10	BBGE	
CNNC(=O)[C@H]1CC(=O)N(CC(C)C)C1	704630957	MPAWKZBMBWVKCK-QMMMGPOBSA-N	213.281	-0.259	50	10	BBGE	
NC(=S)NNC(=O)CCn1ccnc1	706065661	BZFJKPGTBIVNGX-UHFFFAOYSA-N	213.266	-0.862	50	10	BBGE	
COC[C@H](O)CN1CCC(O)(C#N)CC1	709381618	YDEPIXFJGRUJOP-SECBINFHSA-N	214.265	-0.656	50	10	BBGE	
CN(C)C1(C)CCN(CCC(=O)NN)CC1	709868589	ICMGUTCMWCLTQP-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC(C)[C@]1(O)CCCN([C@H](C)C(=O)NN)C1	710193606	XCQCVHDEKQYLNH-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710326068	RNEAIAUOKONJBU-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1COCC[C@H]1O	710926288	YCCJDTJQUDYJKN-FNCVBFRFSA-N	241.243	-0.947	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@@H](C1=O)C2(F)F	715571123	WXZMKVXRLPSHHG-SVRRBLITSA-N	247.245	-0.130	50	10	BBGE	
CN(C)C[C@H](CCl)N=c1nn[nH]n1C	716691344	QJVZKOASTKCIFC-LURJTMIESA-N	218.692	-0.787	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1)C(=O)NN	718166985	NHPZFIAVBASONZ-SAVGLBRCSA-N	239.319	-0.278	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)c1ncc[nH]1	790167917	XZUMDPCYQICHKG-QMMMGPOBSA-N	238.247	-0.335	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)O)O1	862889899	AOQSLAAGDZJNQR-XVMARJQXSA-N	216.237	-0.918	50	10	BBGE	
Cn1cnc(CNC(=O)NC(=O)CCl)c1	888080076	QELUZOIBAYOICA-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
COC[C@]1(C(=O)NN(C)C[C@@H](C)O)CCOC1	910148648	DVJVCZCIVZYQMX-MWLCHTKSSA-N	246.307	-0.617	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@](F)(CO)C1	1253456037	HBKZDGVFXNEPAF-SSDOTTSWSA-N	245.703	-0.039	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(Cl)n(C)n1	1292257808	JNBWLVQDMOOMGS-UHFFFAOYSA-N	245.670	-0.011	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cn(C)c(O)n1	1330790964	SGVCJPIQNLKASZ-UHFFFAOYSA-N	227.224	-0.958	50	10	BBGE	
COCC(=O)NNC(=O)c1cccc(F)n1	1461842839	KDPFGNBEDLPJBX-UHFFFAOYSA-N	227.195	-0.372	50	10	BBGE	
CC(=O)NNC(=O)C(=O)c1cccn1C	1587582200	RUWPABTXNKIGFX-UHFFFAOYSA-N	209.205	-0.625	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1ncc(F)cn1	1623197662	YFIBPAHFJUBEPU-LURJTMIESA-N	212.184	-0.394	50	10	BBGE	
CCNC(=O)NNC(=O)c1nc[nH]c2nccc1-2	1631194034	RZXHIALQEMIUGP-UHFFFAOYSA-N	248.246	-0.127	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](C)C#N)nc1O	1649396899	YEBWDZGLMIBMPX-SCSAIBSYSA-N	222.208	-0.512	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NN	1879958803	XRPVSGNJCBZJNO-WDSKDSINSA-N	233.268	-0.750	50	10	BBGE	
NC(=O)CNC[C@H]1C[C@H]1Br	1880107414	LSHVYDNGXZPXMJ-RFZPGFLSSA-N	207.071	-0.155	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883639927	PTHIZCVTXADXGG-GBNDHIKLSA-N	207.657	-0.528	50	10	BBGE	
CC(C)[C@H](OCCN(C)C)C(=O)NN	1884724502	GHWWTOCFHHBVTN-QMMMGPOBSA-N	203.286	-0.421	50	10	BBGE	
C[C@H](Cn1cnnc1)NS(=O)(=O)CCl	1886907943	LPGPYTBIBBMOAT-ZCFIWIBFSA-N	238.700	-0.218	50	10	BBGE	
CO[C@@H](CN(C)CC(=O)NN)C(C)C	1887657867	QVLBTIYARCMNSA-QMMMGPOBSA-N	203.286	-0.421	50	10	BBGE	
COCONS(=O)(=O)N1CC(Cl)C1	1888114567	IPQFSOLIZCBWRH-UHFFFAOYSA-N	230.673	-0.721	50	10	BBGE	
CNC(=O)CCNC(=O)C=CC(=O)Cl	1893409796	APWDNBAXELNXAX-UHFFFAOYSA-N	218.640	-0.440	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1893460646	HUSRJKUPUJOUAY-PBXRRBTRSA-N	221.640	-0.736	50	10	BBGE	
O=C(O)C(NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475501	UYVJVUYBSYKEIY-PWNYCUMCSA-N	221.596	-0.732	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@]2(CO)C1	1894664245	ASOZXGRIHVHMFG-GXSJLCMTSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896272514	VPSDNARXMXUACG-KATARQTJSA-N	226.324	-0.611	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2COC[C@H]21	1897315706	KBAYFDCVBQHKNF-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)N1[C@H]2CC[C@@H]1CN(CC(=O)NN)C2	1899569122	QSRQCVJVCPOSGQ-AOOOYVTPSA-N	226.324	-0.467	50	10	BBGE	
C#CC#CC1CN(C(=O)C2(B(O)O)CC2)C1	1900323923	RDKYPVQLSBKTMF-UHFFFAOYSA-N	217.033	-0.912	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2CC[C@@H]2C1=O	1907913618	RTCYDSVZXNRBJM-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2CCC[C@@H]21	1909026939	NBGZLOWGUQWKOI-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914253055	CDHWHEHSQXLTLQ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](CN1CC2(C1)CC2(F)F)C(=O)NN	1914522376	UORCWPZHHZLXQO-ZCFIWIBFSA-N	219.235	-0.047	50	10	BBGE	
CC[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923434621	ZGNHSMUDBBXHIZ-VKHMYHEASA-N	214.143	-0.533	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CN(C)C[C@H]1O	1928757551	FXLBYCJQNSBCGC-GJMOJQLCSA-N	220.700	-0.348	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](O)[C@H]2C1	1931418615	GANMVLLCTFHDHK-KZVJFYERSA-N	205.685	-0.101	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]2C[C@@H]2CO1	1931607694	RPKHZZFZDNACRI-RNJXMRFFSA-N	200.238	-0.976	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N1CC(=O)OC(=O)C1	1932302678	BXDACTJNDALULB-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1COCC[C@H]1C	1932314275	UIRYKGQEGBSAQR-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CCn1cc(OC[C@@H]2C[C@H]2C(=O)NN)cn1	1936092496	UMVQNFFNNRSIBY-IONNQARKSA-N	224.264	-0.092	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@@H]1CO	1936095138	UHJPTUKOWGFZGQ-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
CON(C)C1CN([C@H](C)[C@H](C)C(=O)NN)C1	1936110831	SKADYTPRRIUWAF-JGVFFNPUSA-N	230.312	-0.822	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941085709	FJMCWIWGIRVXIX-LMLFDSFASA-N	240.351	-0.363	50	10	BBGE	
CCN1CC(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1941085728	FKUGBFVEFBDTDU-QWRGUYRKSA-N	240.351	-0.504	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)N1C	1941086906	KWSCEKHFSXDXBF-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](N)CC(C)(C)C1	1942540806	GWGKCNSHCAYYRO-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
CC1(C)CC(NC(=O)C(=O)NN)CC(C)(C)O1	1944860778	VZGCDHQMAHVIPX-UHFFFAOYSA-N	243.307	-0.171	50	10	BBGE	
CCC[C@H](OC[C@H]1COCCCO1)C(=O)NN	1948416328	IYOICLHMSMSIDD-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
CO[C@H]1CCO[C@H](CN2CC(=O)OC(=O)C2)C1	1948576722	HDIAWERRRSPOQA-IUCAKERBSA-N	243.259	-0.434	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccccc1S(N)(=O)=O	1952822523	ZWQSJAQFSDGNCA-APPZFPTMSA-N	241.272	-0.782	50	10	BBGE	
O=C(CCl)N1C[C@@H](O)[C@H]2COC[C@H]21	1954368105	ZKLGLHAXEBKACL-RRKCRQDMSA-N	205.641	-0.557	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(C[C@@H](O)CCl)C1	1956260274	HXZXKJHPYQPYKW-IONNQARKSA-N	220.700	-0.217	50	10	BBGE	
N#CCS(=O)(=O)N1CCO[C@H](CCl)C1	1956904142	CLERUBLWRADBCC-SSDOTTSWSA-N	238.696	-0.221	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)cn1	1958186607	AJFJCRDECVEOQG-UHFFFAOYSA-N	226.066	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]1c1ncon1	1958700459	CUXTVPNEKLBWGB-RITPCOANSA-N	211.225	-0.805	50	10	BBGE	
O=C1NC[C@H]2CN(C[C@H](O)CCl)CCN12	1960164204	SKEXWYVFNAQGMT-JGVFFNPUSA-N	233.699	-0.705	50	10	BBGE	
COCCSc1ncc(B(O)O)cc1F	1961710526	QWVPPHYTOKLNEP-UHFFFAOYSA-N	231.057	-0.361	50	10	BBGE	
Cn1nnnc1CCn1cnnc1CCl	1974681726	RCXQUUXWZCDXEX-UHFFFAOYSA-N	227.659	-0.217	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C[C@@H](C)C1	1976441198	MRNZGMJJQWIAQE-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1976931824	JXKTYVNIKYCZEN-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCOC(C)(C)C1	1977314468	PDSOSQVZSCFMTO-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@H]1CF	1981143723	OEOABIUCCSBNQV-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCSC1	1981423409	DEBBGXGARSALQO-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H](F)C1	1984107404	PSHQZSCBUXWHRP-ZKCHVHJHSA-N	225.028	-0.724	50	10	BBGE	
CCOCCSc1nc(C)ncc1B(O)O	1986413823	LZPQZMBDPZXEJL-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994020553	QTOUNKDTSLFMQZ-DOLQZWNJSA-N	227.308	-0.687	50	10	BBGE	
Cc1nccn1CCN(C)[C@@H](C)CC(=O)NN	1997479548	PTEOVMDIEMYMQI-VIFPVBQESA-N	239.323	-0.108	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997869191	YBLHUUCPGZOWMD-DCAQKATOSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC([C@H](F)CO)CC1	1999598299	BTCSFTUFDLUBQB-PSASIEDQSA-N	247.314	-0.203	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2001039744	CIMXMMAZPQVEHK-MWGHHZFTSA-N	239.319	-0.419	50	10	BBGE	
C[C@H]1[C@H](C)CN1Cc1nn(C)cc1C(=O)NN	2003506619	XGTHWVDCIRTOEW-SFYZADRCSA-N	237.307	-0.136	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCCCNC1=O	2004249416	KJNZHOBKQSLDPU-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CCN1CCN2CCCC[C@@H]2C1=O	2004305460	ACZTYRTXCGETQB-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
CN1CCC[C@H]1[C@H]1CCCN1CCC(=O)NN	2004364780	MGNSOQDNDFAEEO-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H]1CC[C@H](C)N1c1ncc(B(O)O)cn1	2004911123	CTSFVTBYKSJXJO-WPRPVWTQSA-N	235.096	-0.076	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(c1ccncc1B(O)O)C2	2004940294	VTVNMTFRBGWRSP-KWQFWETISA-N	234.064	-0.871	50	10	BBGE	
O=C(CC(F)F)NCc1cccc(B(O)O)c1	2022121842	MKXKTHPDWYTYDA-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@]12C[C@H](CO1)C2	2025064809	JEAYHLYWTQNLQS-OVYXKVPISA-N	237.064	-0.618	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(OCCCO)C1	2026045423	RZMMVWHTBASQGG-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
CN1CCN(Cc2ccccc2B(O)O)[C@H]2C[C@H]21	2049379044	HFAMBKGRRGDEPN-OLZOCXBDSA-N	246.119	-0.745	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2C[C@H]2C1=O	2050247113	PHSAJWJTCKQYRJ-NKWVEPMBSA-N	249.274	-0.998	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]2C[C@H]2C1	2052470461	DWGBGDNOLGBFKB-LPEHRKFASA-N	247.107	-0.219	50	10	BBGE	
CN(C)C[C@H]1CCCN1c1ncccc1B(O)O	2052491055	IIVIWXHZPCAWOR-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)c1ncccc1B(O)O	2052499649	WWVBQIOFXSEFAT-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccn2nncc12	2066088725	JAXDIJNKHOZFRE-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@@H]32)cn1	2066309797	OIGRBVKFLZLOID-KOLCDFICSA-N	248.286	-0.484	50	10	BBGE	
C[C@@H](COCc1cc(B(O)O)cs1)N(C)C	2211076943	BSCRDJIIGNHANU-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
CN1CC[C@@H](COCC2(C(=O)NN)CC2)C1	2211769456	WVUGRAFMDLQUBS-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
CCN(CCCO)C[C@H]1CC[C@@H]1C(=O)NN	2211827889	PIOXQUFWKAVFTF-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CC(C)(CO)CNc1ccc(B(O)O)cn1	2212611710	CCMFZLXOLFLPQI-UHFFFAOYSA-N	224.069	-0.808	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCOCCC1=O	2215770249	AQGXEABOHXBUIU-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2215772190	MIRGZDUKMJCLCP-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@H]1CC[C@@H]1C(=O)NN	2215776311	LYELXMVYIIMXBE-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
C=C[C@]1(C)COCCN1CC(=O)NNC(C)=O	2216652024	SLBYRGOXXPGCIF-LLVKDONJSA-N	241.291	-0.569	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CO)C2)CCCC1	2216871019	LUWCPULEDVZBCR-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
OB(O)c1cccnc1OCC1=CCNCC1	2217168883	YVVWFVOJFZMDLB-UHFFFAOYSA-N	234.064	-0.940	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1c1ncccc1B(O)O	2217171356	AZKPSMXVPMAZLI-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@H]1[C@@H](CNc2ncc(B(O)O)cn2)C1(F)F	2217174980	BIHGNCOJIAVFEG-CAHLUQPWSA-N	243.022	-0.531	50	10	BBGE	
CC(C)C[C@H](CO)Nc1ccc(B(O)O)cn1	2217177336	HXDLCXAJMOCSHY-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](CCN)CCOc1ccc(B(O)O)cn1	2217190576	FFESYNYNXHTBKE-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1c1ncccc1B(O)O	2217196217	QQUGLTHLOXVURY-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
CC1(Nc2ncccc2B(O)O)CCOCC1	2217205366	XUXXJSKNCUSEMW-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CCN1Cc1cccc(B(O)O)c1	2221487273	DANBMAQMXSNOHR-JQWIXIFHSA-N	245.087	-0.265	50	10	BBGE	
N#Cc1ncn(C[C@H]2CC[C@H]2C(=O)NN)c1C#N	2221567162	NGZGVIKOJCPEJL-HTQZYQBOSA-N	244.258	-0.357	50	10	BBGE	
OB(O)c1ccc(=NCc2ccccc2F)[nH]c1	2223636783	AOOIHABDWYZDGQ-UHFFFAOYSA-N	246.050	-0.066	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C)[C@@H](N)C2)cc1B(O)O	2223651246	BGLKBTGMXPMGNX-KCJUWKMLSA-N	249.123	-0.757	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CN[C@@H]2CCC[C@@H]12	2223674802	NMJPTNIJDRHGAU-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
CCN(CCN1CCCC1)[C@H](C)C(=O)NN	2242844865	IOICAJVEEDYOEJ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cscc1B(O)O	2243346785	CRXBZGIOEHGSRT-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
O=C(N=c1cc[nH]cc1Cl)[C@@H]1C[C@@H]1B(O)O	2243381353	FLRPVVZVIRSYHG-RITPCOANSA-N	240.455	-0.042	50	10	BBGE	
CC(C)(CCNC(=O)C#CB(O)O)C1CC1	2243399655	OMODDTPKRLFKNY-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2243400945	JZXQUFGOMRFRBD-UHFFFAOYSA-N	222.053	-0.611	50	10	BBGE	
N=c1ccc(NC(=O)C2(B(O)O)CC2)c[nH]1	2243410040	UIQZLJQKJZLOIS-UHFFFAOYSA-N	221.025	-0.560	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243415165	PLSKDAOWKPBKBH-GJMOJQLCSA-N	229.085	-0.485	50	10	BBGE	
C#CCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243425701	BAMMEBBUVUZTGW-IUCAKERBSA-N	221.065	-0.089	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=C(F)CC1)B(O)O	2243433597	NTYQSKAHKMYTTB-UHFFFAOYSA-N	249.072	-0.557	50	10	BBGE	
CCCC1(O[C@H](COC)C(=O)NN)COC1	2245003716	MCJNXWYNGKNPRD-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1CO	2247732540	HECKPPFAHLZVRH-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ccoc2B(O)O)[C@@H]1C	2247744263	QDQBUFSLTORFHU-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ncccn1	2247751191	UOBLWTGDCIVINS-ZETCQYMHSA-N	235.052	-0.339	50	10	BBGE	
CCO[C@H](CNC(=O)C1(B(O)O)CC1)C1CC1	2247753556	ARNMKHQVUFSQRW-SECBINFHSA-N	241.096	-0.075	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)C1(B(O)O)CCC1	2247755106	GRTPJLMGGZBMLY-UHFFFAOYSA-N	242.128	-0.173	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1CCC1	2247761716	WOPCKFYQEMLBJF-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247791447	NBHVMRKYFVRLFB-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCNC1	2247808449	VCRVHCZTEPQDNZ-UTINFBMNSA-N	240.112	-0.646	50	10	BBGE	
N[C@H]1CC12CC(NC(=O)C1CC(B(O)O)C1)C2	2247854683	HBLDPVUMLKPRFQ-LKRCYJTCSA-N	238.096	-0.765	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C(C)(C)C	2247868674	WQPKAHNEBOUVPC-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCO1	2247874920	UQGXPJWZIKIMJQ-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H](C)CF)cc1B(O)O	2247875477	ZEEFJEBGRTZLDM-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1CN	2247887917	TYSNYCQZUXZYLD-JBDRJPRFSA-N	240.112	-0.661	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895372	RKYRSSFWXUSCHI-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
Cc1n[nH]c(C)c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247898034	ZTJZSAHRIUJWAN-CBAPKCEASA-N	237.068	-0.494	50	10	BBGE	
CO[C@H](C1CC1)[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247898069	ACTDSKPXRAJGLY-MCNGFCJOSA-N	241.096	-0.221	50	10	BBGE	
CC(C)COC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899286	MCVMQOHXNYZOSS-NXEZZACHSA-N	241.096	-0.267	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C2(CC2)C1	2247899592	OMQYLXORHGRZLF-HRDYMLBCSA-N	238.096	-0.668	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)co1	2249419236	FAGXEDHRTMCRAL-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2cocc2B(O)O)[C@@H]1C	2249431595	QJEXCBFHSLKNSY-XSSZXYGBSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C[C@H]2C1	2249441489	YVXJAUUARBRNHY-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CN(C)CCCCCNC(=O)C1(B(O)O)CC1	2250852497	YUNQKAIZQBLPMN-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@H]1C[C@@H]1B(O)O	2251597521	KSQOLPDBXKCYHX-IUCAKERBSA-N	235.052	-0.702	50	10	BBGE	
O=C(N[C@H]1C[C@H](c2ncc[nH]2)C1)[C@H]1C[C@H]1B(O)O	2255571351	OICLXVTYAXEHHK-XSPKLOCKSA-N	249.079	-0.365	50	10	BBGE	
O=C(N[C@H]1CCn2ccnc2C1)C1(B(O)O)CC1	2255737564	GLKSNFXJVYYEBU-QMMMGPOBSA-N	249.079	-0.679	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CNCC1(C)C	2261233781	FWOYKEQVKKCOCN-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@H]12	2298368943	CTQXPHCIINTQHT-NSTDSTDXSA-N	238.096	-0.909	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@H](B(O)O)C1	2298371824	WYPBXNHLQKZXQK-BQHMLIOBSA-N	239.080	-0.325	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371861	YAWOUQWUMGWVKK-JDDHQFAOSA-N	240.112	-0.567	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CCC2	2298377572	WFJVBCCXOVNEQZ-HLTSFMKQSA-N	238.096	-0.811	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1CC(F)(F)C(=O)NN	2299330416	BZRMKVCESBOHCR-YUMQZZPRSA-N	249.261	-0.377	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnc(C)o1	2303291289	SSFMTNQXSDUJTD-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1C	2304206042	SKMVGQNORIPVLR-MFDAYCCISA-N	241.335	-0.296	50	10	BBGE	
CO[C@@H]1COCCN([C@H](C(=O)NN)C(C)C)C1	2306798483	FTWWJMAWRAQANB-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)ccc1B(O)O	2309543695	ALJJNCKUCGXUPF-XNDJQWLSSA-N	244.103	-0.086	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C=C[C@@H]1C2	2312857287	IAZPUVCRJVTLCL-DTWKUNHWSA-N	247.059	-0.332	50	10	BBGE	
O=Cc1ccc(N2N[C@H]3CC[C@H]2C3)cc1B(O)O	2317307760	DLMDLABCHWLTNN-UWVGGRQHSA-N	246.075	-0.575	50	10	BBGE	
N#CC(=CN1CCNCC1)C(=O)NCCCl	2325265307	NJMONUVQQFWOPM-UHFFFAOYSA-N	242.710	-0.346	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	5428814	LPKQGMKRWXVLFG-UHFFFAOYSA-N	224.176	-0.477	50	10	BBGE	
C[C@@H]1CCC[C@H](NC(=O)C(=O)NN)[C@@H]1C	36948204	QBAVTQQDTHFJNS-PRJMDXOYSA-N	213.281	-0.083	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@H](C)Cl	37226250	JNQQGLQBYKUTLR-WHFBIAKZSA-N	209.629	-0.736	50	10	BBGE	
NNC(=O)CCOc1cccc(C(N)=O)c1	82464276	XDYAJVFOUSRMKH-UHFFFAOYSA-N	223.232	-0.456	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/C=C(NN)N=CN1	105623645	CZPZSOMWUBJWGY-SREVYHEPSA-N	221.220	-0.737	50	10	BBGE	
COCCN(CCO)CCCCC(=O)NN	124257480	RHKOVUVXRNQFQF-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)[C@@H](C)CC(=O)NN	134790127	DUPQMPKJZGPWOP-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)CC1CC1	149140709	RDDNWLDLCPSLGR-UHFFFAOYSA-N	215.253	-0.031	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@@H](C)N1C	164716701	ZTBOSVCPWXBTIE-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CCCO1	216315719	BEQKJWBYGPEYGJ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[S@](=O)CCNS(=O)(=O)CCl	229270623	AIURTPRUVHRQFW-JTQLQIEISA-N	219.715	-0.519	50	10	BBGE	
CCOCCOc1cc(B(O)O)ccc1F	229337470	UAYGARLGBOJXCZ-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H](CO)O1	230058106	RPJYCJNYPWSQBH-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSC(C)(C)C1	232420801	MPHQDKJAAMEIMA-MRVPVSSYSA-N	247.364	-0.181	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OC)C1	233893376	ADPATOJDGUAJRZ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CSC1(CNC(=O)C(=O)NN)CCCC1	235052220	QKXFEIDACKWCSX-UHFFFAOYSA-N	231.321	-0.232	50	10	BBGE	
CNNC(=O)[C@@H](N)C[C@@H]1CCCN(C)C1	258972946	DFPSZLUDYUAHMP-IUCAKERBSA-N	214.313	-0.704	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CN2CCN1CC2	306643698	XMUTYUKDVAVHQF-IUCAKERBSA-N	231.727	-0.270	50	10	BBGE	
Cn1ncc(CN[C@@H]2COC[C@H]2Cl)n1	307055491	ZDEQEKUVUSXSOY-HTQZYQBOSA-N	216.672	-0.089	50	10	BBGE	
CC(C)[C@H]1OC[C@H](O)/C1=N\NC(N)=O	307720495	UHZIUUZNHUYJNN-RNNHWTCZSA-N	201.226	-0.574	50	10	BBGE	
Cc1cnn(-c2ncc(B(O)O)cc2Cl)c1	309199040	WFCUFGMMYOSFFF-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CCCC1(O)CN(CCC(=O)NN)C1	384166267	SORNTEYOEIQCJI-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
COCOCc1ccc(F)cc1B(O)O	389752749	ZNKWLOQJTRKPRO-UHFFFAOYSA-N	214.001	-0.374	50	10	BBGE	
COC(=O)NN=C/C(C#N)=C(/O)NC=O	394735917	VZJDGNBBULCAFU-YQGRZSOGSA-N	212.165	-0.633	50	10	BBGE	
Nc1c(B(O)O)sc2c(C(=O)O)cccc12	396235427	BEJPNQLHFAWGQU-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1sc2cccc(CO)c2c1B(O)O	396241442	JAXSUNHUUBDKDE-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H](C)Cl)S(N)(=O)=O	398246654	SROYJTDHLHYGIR-CRCLSJGQSA-N	228.701	-0.593	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](CO)(OC)C1	402627982	XZUQMGQEYZDIKP-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CC#CC(=O)Nc1cccc(B(O)O)c1	405001735	NKLPNOOXTPVTAY-UHFFFAOYSA-N	203.006	-0.672	50	10	BBGE	
C[C@H](O)CN(CCCC(=O)NN)C1CC1	692095139	HRABMSDDQIUPOM-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)CCCN)CC1	692114175	OSIQBKDNYOKMIH-UHFFFAOYSA-N	247.320	-0.985	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](C#N)C1	693986077	KZTCTOVXOKBCQZ-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
CCC(O)(CC)CN(C)[C@@H](COC)C(=O)NN	706425832	AYEYCYRNXNQYPX-VIFPVBQESA-N	247.339	-0.526	50	10	BBGE	
CNC(=O)N1CCCc2cc(B(O)O)ccc21	712147257	SZLIKZQUHZLJNT-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@@H](C1)C2(F)F	715401873	KAKGXFMSMCQCJB-FSDSQADBSA-N	219.235	-0.048	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C2CCC1(CO)CC2	723021640	HYOSURAHXRVWCJ-SILCLGDVSA-N	227.308	-0.256	50	10	BBGE	
C[N+]1=C(C(=O)N=C=S)C=C[C@H]1[N+](=O)[O-]	725538968	VACDIGFQACKECT-ZCFIWIBFSA-N	212.210	-0.128	50	10	BBGE	
C[C]1CC(C(=O)NCB(O)O)=CS1	725598444	BWNPJEPQWPNFHM-UHFFFAOYSA-N	200.048	-0.313	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)[C@@H]2COCCO2)CN1C	761814227	ZSDJLWGWJOPAOV-SCZZXKLOSA-N	241.291	-0.402	50	10	BBGE	
COc1nccnc1NNC(=O)Cn1ccnc1	812547216	JDDPSEAAPZEBKC-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
CC[C@](C)(CO)C(=O)NN(C)C(N)=O	847637270	YXTHSRKHRMTOQA-MRVPVSSYSA-N	203.242	-0.563	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)C(C)(C)O)C1	907628049	VAQJXPQMPSJELY-RQJHMYQMSA-N	230.264	-0.670	50	10	BBGE	
O=C(NCc1ncc[nH]1)c1ccc(B(O)O)cc1	1293492260	RWOCXOJZLWTGKK-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C	1540384209	VZLZOSURIBQQCP-NTSWFWBYSA-N	229.236	-0.713	50	10	BBGE	
O=C(NNc1cccnn1)c1cnncc1O	1597260307	FQKNPCSJIXGDFO-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
NC(=O)NC(=O)[C@H]1C[C@@H]1Br	1880106933	DXZCIEJLXXZHGT-HRFVKAFMSA-N	207.027	-0.035	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1Br)C(N)=O	1881366204	PMYJSFBMNNWGAV-MROZADKFSA-N	235.081	-0.240	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@H]1[C@H](O)CO	1885362679	CHCIPVPBUXCINV-GJMOJQLCSA-N	221.684	-0.042	50	10	BBGE	
O=C(O)[C@@H](CCO)NC(=O)[C@H]1C[C@H]1Cl	1893475064	PKLMFHJMGVZVPH-KVQBGUIXSA-N	221.640	-0.435	50	10	BBGE	
CN1C(=O)CO[C@H]2CCN(C(=O)CCl)C[C@H]21	1896215097	BKOWBQXRZLJQBY-SFYZADRCSA-N	246.694	-0.317	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@@H]2CNC[C@H]12	1897219178	FIWMWDIAUREKGU-BWZBUEFSSA-N	244.678	-0.589	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]1C[C@H]2O)C(=O)NN	1900378678	LTSRXTWTYYBXNJ-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCNC1=O	1900535793	WQWHFCAEUIXMCU-HTQZYQBOSA-N	226.280	-0.582	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CC(=O)NN(C)S(C)(=O)=O	1901338635	AGUXULOEGSILFY-SFYZADRCSA-N	249.336	-0.845	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H](N)C1CC1	1901375429	LRJLCHAUCNMDED-MRVPVSSYSA-N	249.336	-0.575	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H]1N	1901377759	SHXNJXYFMMODKC-HTQZYQBOSA-N	249.336	-0.575	50	10	BBGE	
C#CCCCOc1cc(B(O)O)c(F)cn1	1903025831	NBGHYGWBZGZLJE-UHFFFAOYSA-N	223.012	-0.307	50	10	BBGE	
N[C@@H]1COCC[C@]1(NC[C@H]1C[C@H]1Cl)C(=O)O	1904222317	KWKDQIXMJOLXDY-FDDDBJFASA-N	248.710	-0.226	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC(F)C1	1917263030	WYLOOLDMFZAVSH-UHFFFAOYSA-N	239.055	-0.471	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)C(F)(F)F	1923411483	FEVQHWVJLNUCHA-RXMQYKEDSA-N	239.197	-0.210	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)CCO1	1927816030	GQMORXPTMFUYQT-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2nncn2C)C1	1928753427	QFNWNACCJQZNHT-JGVFFNPUSA-N	229.715	-0.174	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@@H]1CCl	1929730758	DVIQUVJMYSHMDX-ZCFIWIBFSA-N	215.644	-0.487	50	10	BBGE	
NNC(=O)C1(Cn2ccccc2=O)CC1	1931266556	HTRZJFXZZACNGT-UHFFFAOYSA-N	207.233	-0.382	50	10	BBGE	
CCN(C)[C@H]1CCN([C@H](C)C(=O)NN)C1	1933286131	HFASYHXJSVFINZ-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CC1(C)C	1934002745	FFVMJDQRKLUPDC-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1C1CCC1	1936525724	ICEYVXJOZIBPMU-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN(C)C1CC1	1936675148	CLQLTESCTQVMFY-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CCOC[C@H]1Cl	1937159619	KEPVJXQNLLMDBA-RNFRBKRXSA-N	245.670	-0.814	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1937982743	YNNYVKUFBLSONS-MWLCHTKSSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CC[C@H]2O	1941290808	LBFRQXNYASAMMV-ISUQUUIWSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@@H]2COC[C@@H]2C1	1942893307	MFPYCWOWXGBTNT-RCWTZXSCSA-N	239.319	-0.419	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1944298738	OLNANSBTCOMWRQ-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
O=C1CN(C[C@H]2CN3CCC2CC3)CC(=O)O1	1945573935	ARSAHRZKFSWYJJ-SNVBAGLBSA-N	238.287	-0.286	50	10	BBGE	
NC(=O)C1(O)CN(CCCCCl)C1	1954822181	LBGSCNZKTVMOLA-UHFFFAOYSA-N	206.673	-0.463	50	10	BBGE	
COCCO[C@H]1CCN(C(=O)NN)C1	1955283901	IKVKSYYWDZCIHS-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](C)CC(=O)NN	1955926344	JNHGNPQLDOSVCR-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
COC1CC(CC(=O)NNC(N)=S)C1	1956493376	IQNFTKNCEMYTHO-UHFFFAOYSA-N	217.294	-0.334	50	10	BBGE	
C=CCSc1ncnc(C)c1B(O)O	1956966701	ZCHXITHHCGQCRR-UHFFFAOYSA-N	210.067	-0.257	50	10	BBGE	
CCN(C)C1CN([C@@H](C)CC(=O)NN)C1	1961179777	AOKPWWKZKCOFQM-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1nc(B(O)O)cs1	1961696982	UOLCWSYYKYZSPO-NTSWFWBYSA-N	229.066	-0.763	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1	1969584107	BHTHENIXXJQXSJ-LDYMZIIASA-N	233.076	-0.153	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975304347	QOMTWQDLPCRINO-BZNPZCIMSA-N	215.297	-0.544	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@H](O)CC12CCC2	1980729546	UCWVHYWIJHXFSH-BBBLOLIVSA-N	249.738	-0.064	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(n2ccnn2)C1	1980779668	IGVZENXRRXDITG-UHFFFAOYSA-N	243.654	-0.390	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1(CO)CCCC1	1980803716	OYAJFAUPCYXVIH-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C(=O)N(CCO)Cc1cccs1	1981031061	WKYCGTAJPGNXMU-UHFFFAOYSA-N	243.288	-0.941	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2C[C@@H]2C)c(B(O)O)c1	1981529030	AFZTVWULRHIOLY-WCBMZHEXSA-N	220.081	-0.086	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1N=c1[nH]nc(CCl)o1	1982021622	TVVWRRHPMLKYEG-NJGYIYPDSA-N	246.654	-0.715	50	10	BBGE	
CCS(=O)(=O)N1CC[C@H](OC)[C@@H](N=C=O)C1	1986272246	KVKIFJMIGZTZEA-IUCAKERBSA-N	248.304	-0.239	50	10	BBGE	
CC(=O)NNC(=O)Cn1ccnc1C1CC1	1990774505	JTGHLGSGSAMDSH-UHFFFAOYSA-N	222.248	-0.072	50	10	BBGE	
CCOc1cnn(CC(=O)NNC(C)=O)c1	1990774685	MIRCXNBOSDMQKK-UHFFFAOYSA-N	226.236	-0.551	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N(C[C@@H]2C[C@@H]2Cl)C1=O	1991442035	KEYVWZIIRXJTDQ-HCWXCVPCSA-N	246.650	-0.293	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)/C=C/C(=O)Cl	1991706318	OIPAHLXIORMTRT-NSCUHMNNSA-N	244.638	-0.542	50	10	BBGE	
C=C(CN(C)CC1(S(C)(=O)=O)CC1)B(O)O	1992145950	IJKPTPURFPTEKL-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccc(B(O)O)cc1	1992837520	ZHBFFYKRTKLKST-RKDXNWHRSA-N	223.012	-0.793	50	10	BBGE	
NNC(=O)C12COC(CN3CCCO3)(C1)C2	1993891187	NVKZGPCVQBWRIX-UHFFFAOYSA-N	227.264	-0.837	50	10	BBGE	
CC(C)CN1CCN([C@@H](C)C(=O)NN)CC1=O	1996755332	BWVZEBGSMCRYDT-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)nc1	2004918058	HAAPJLMYBNAPJZ-SNXWAXQRSA-N	230.076	-0.394	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@@H]2C[C@H]2C1	2004935303	MWSNKILMPQHYJZ-HRDYMLBCSA-N	234.064	-0.276	50	10	BBGE	
Cc1cc(B(O)O)cnc1Sc1nccn1C	2004990751	KMEWJOUUMLUKMO-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C2(C)CC2)n1	2005013796	ASVOOLYTUMBVPN-UHFFFAOYSA-N	235.096	-0.238	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC=CCC1	2008840179	IPRGRFSAQIBHED-SNVBAGLBSA-N	233.076	-0.116	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)ccc2=O)CCCO1	2008840534	NXSSLRXQUNLZCI-LLVKDONJSA-N	237.064	-0.903	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCOCC12CCC2	2015689377	ZYWNDUMUFPFMLU-QMMMGPOBSA-N	241.291	-0.701	50	10	BBGE	
CC(C)n1nnnc1CN(C)CCC(=O)NN	2019560413	DCNNROIDLMZELQ-UHFFFAOYSA-N	241.299	-0.934	50	10	BBGE	
OB(O)c1cccc(CN2[C@H]3COC[C@H]2C3)c1	2021407381	JKTZGNSZGDXXTH-VXGBXAGGSA-N	233.076	-0.661	50	10	BBGE	
Cc1ccnn(CCC(C)(C)C(=O)NN)c1=O	2025230438	SALCVMJAQQHDLK-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1cc(B(O)O)ccn1	2025659991	MTRNZMNPGJQTMD-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
COC1(C(=O)Nc2ccc(B(O)O)cc2)CCC1	2048868065	CMIZORNEPLPZDP-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	2052490418	CLHJMDJHOLXIGO-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@H]1N(C)C	2052498789	JSWITHTVYSFIPI-JOYOIKCWSA-N	249.123	-0.852	50	10	BBGE	
COC(=O)[C@H]1CC[C@H]1C(=O)NN(C)C	2209421383	XPFKYFPWLKJPJM-RQJHMYQMSA-N	200.238	-0.222	50	10	BBGE	
NC(=O)C1(NS(=O)(=O)CCCl)CCC1	2210069692	PQLJXJUKEAPXQD-UHFFFAOYSA-N	240.712	-0.447	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2212613384	VDXSOMZMNXMTGZ-LDYMZIIASA-N	218.065	-0.392	50	10	BBGE	
CCCN(CCO)Cc1cccc(B(O)O)c1	2214594073	BGAGLAUVJAUODU-UHFFFAOYSA-N	237.108	-0.429	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNc1ncccc1B(O)O	2217201182	CPUOKFFLBJELHV-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1c1cc(B(O)O)ccn1	2223635489	XSDJSOGZSLRPPN-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
Cc1cc(Nc2ncc(B(O)O)cn2)cnc1C	2223674308	OWLBEJFYVYLDCR-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@H]2C2CCC2)[nH]c1	2223677946	VKDSWQFULOORIE-KOLCDFICSA-N	247.107	-0.574	50	10	BBGE	
NC[C@H](O)CC(=O)N[C@H]1C[C@H](Cl)C1	2241654370	VSUWWJILTYLLBU-FSDSQADBSA-N	206.673	-0.418	50	10	BBGE	
OCCC1(O)CN(CCOCCCl)C1	2241810246	BBEGMXJCQAZPMU-UHFFFAOYSA-N	223.700	-0.329	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@@H]1C[C@@H]1Cl	2242280697	MODCTYHLVYGCCA-RQJHMYQMSA-N	217.652	-0.914	50	10	BBGE	
CCC=CCNC(=O)c1nscc1B(O)O	2243346754	CAHHAAPTZURFNT-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(NCC1CSC1)c1ccc(B(O)O)o1	2243356426	HONNRPBTFIGMOB-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
CC[C@@H](O)[C@H](C)NC(=O)C1CC(B(O)O)C1	2243397135	WISJMWQKPQTIML-DFAZKQQPSA-N	229.085	-0.485	50	10	BBGE	
CN(CC1(F)CCCC1)C(=O)C#CB(O)O	2243398596	FOGYHJWQUNSLOS-UHFFFAOYSA-N	227.044	-0.258	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2243403743	CAZWCLMZFOTCEN-DFAZKQQPSA-N	227.069	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CCO[C@H]2C1	2243404082	IZSPETJEWICDRK-HXFLIBJXSA-N	225.053	-0.903	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ncco1	2243408966	YIRIEZUZZMINAA-ZCFIWIBFSA-N	224.025	-0.141	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1coc(B(O)O)c1	2243409540	KBBZEMBRDLJVCB-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@@H](C)CC(=O)NN	2244884669	XATOMTDXTHNCQO-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
COC[C@H](OCC12CC(CO1)C2)C(=O)NN	2245194570	UYCGWACBIJWODU-ZCUBBSJVSA-N	230.264	-0.813	50	10	BBGE	
CCN(Cc1c(F)cccc1B(O)O)OC	2245270179	MBKQHRSUUHDPRG-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C#CB(O)O)nc1	2247742586	QSZLTBOZCGZWIM-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1ccoc1B(O)O	2247744719	XFNUMVLCMCYWEE-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1cc(B(O)O)c[nH]1	2247744894	ZEZZAPSOBNHZRE-SVRRBLITSA-N	240.043	-0.733	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCOC2)C1(B(O)O)CCC1	2247751637	ZTEBLFWKTWHXHK-WCBMZHEXSA-N	239.080	-0.321	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247754494	DYXBLAOZTNUNDT-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1cccc(B(O)O)c1F	2247759339	OVSZPGSVYVWNFI-SFYZADRCSA-N	241.002	-0.654	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCn2ccnc2C1	2247803440	BBOSGODBXXLVLG-YUMQZZPRSA-N	235.052	-0.912	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1N	2247807383	HUQDHWUMPGPZST-HACHORDNSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1CO[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247808742	MJKDLIUBKIYOKU-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccc(B(O)O)o1	2247846749	LSRNQUFRRZMXSY-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CCC[C@H]21	2247870295	HQTMOZBRIBWWPI-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CCN(CC(F)F)C(=O)c1occc1B(O)O	2247875225	URZISXHERLLRKD-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)[C@H]1C[C@H]1B(O)O	2247887124	KNWUYUISHVVZPF-GENCIFFESA-N	239.080	-0.752	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(C)c(B(O)O)o1	2247892190	VVRAYYBOXDHTNU-UHFFFAOYSA-N	235.048	-0.591	50	10	BBGE	
O=C(NC[C@@H]1CCNC12CC2)[C@H]1C[C@@H]1B(O)O	2247899234	LQXUUSUGUTYXOL-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
CCOC12CC(C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247900180	USEBWJNVBMQLSG-VCZAYRLQSA-N	239.080	-0.371	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cocc1B(O)O	2249415213	BBILOQNWBFQBHP-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2249559877	WTYNPDNMPGLLJT-JXUBOQSCSA-N	241.335	-0.296	50	10	BBGE	
CCn1ccc(C(=O)NCCC#CB(O)O)n1	2250000733	MNSHDRJYPNPUQP-UHFFFAOYSA-N	235.052	-0.962	50	10	BBGE	
CCc1conc1C(=O)NCCC#CB(O)O	2250007326	XRTLMOLDUUOIIP-UHFFFAOYSA-N	236.036	-0.628	50	10	BBGE	
C#CC12CC(CCN1C(=O)[C@@H]1C[C@H]1B(O)O)C2	2250893213	YWGKKEPRKAUISD-WDHPUFTPSA-N	233.076	-0.136	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H](C)C2CC2)c(B(O)O)c1	2255562013	PEHQQLYEBFJRSF-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
Cc1ccnnc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2255567259	BQGUWKJKKFYJHI-IUCAKERBSA-N	249.079	-0.394	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@]12CCC[C@@H]1C2	2255727809	VVHXELPVDQFXHP-PELKAZGASA-N	249.075	-0.060	50	10	BBGE	
C=C=CCCNC(=O)c1nc(C)ccc1B(O)O	2255728244	BYOYIBNYYAGGMY-UHFFFAOYSA-N	246.075	-0.469	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255952286	QRWWSNJOFPVFEC-XCBNKYQSSA-N	249.075	-0.400	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cocc3B(O)O)[C@@H]1C2	2258142960	UJUGFXYGXZYSCB-PTOFAABTSA-N	249.075	-0.122	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@H]2C3)c(B(O)O)c1	2258827781	KWDYSTCPTNJGFM-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368892	BEBAIHSJKPTKRW-JLIMGVALSA-N	239.080	-0.610	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298371342	ISZYQPWNPBUHMW-LOLPMWEVSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CNC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375531	NPDDEKGJGMBEGC-JLIMGVALSA-N	240.112	-0.789	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2NCC[C@H]21	2298377653	YOGFKKXFVOXEJP-ZYUZMQFOSA-N	238.096	-0.798	50	10	BBGE	
CCC(CC)NC(=O)c1c(B(O)O)ncn1C	2300223638	BCUZDPYSSNKQNZ-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CC12CC(C1)[C@@H](Cn1cc(B(O)O)cn1)CO2	2300543328	HIBFIEFBBPNARM-YUCVTWSNSA-N	236.080	-0.622	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2301837863	UACGUJMWTQBRTJ-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
OC[C@@H]1CC[C@@H](CN2CC[C@@H](B(O)O)C2)OC1	2303163180	ZAFWQJGUGJLOSE-AXFHLTTASA-N	243.112	-0.677	50	10	BBGE	
CC[C@@](C)(CN(C)CC1CN(C)C1)C(=O)NN	2303424331	QOOPLLSZUQCDEN-LBPRGKRZSA-N	242.367	-0.114	50	10	BBGE	
CC(C)N(CCN)c1cc(B(O)O)c(F)cn1	2303835667	ADPZNSAMPHURBL-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2309543814	GCGKRHQZQGSAIU-IXLVHKGHSA-N	244.103	-0.086	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	2312858679	SSKSOOPBRMNEAJ-VBEOFISCSA-N	247.103	-0.182	50	10	BBGE	
CC[C@@H](CCO)Nc1ccc(B(O)O)cc1C#N	2317151680	UBIWZMADLDPRFK-NSHDSACASA-N	248.091	-0.189	50	10	BBGE	
Cc1cnc(OCC2=CCCOC2)cc1B(O)O	2327488977	JSOIEFSLKIHZBB-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
CC[C@H](OC[C@H]1CCOC1)C(=O)NN	82465621	DRSWLXHUGNMRRU-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
CN(C)[C@H]1CCN(CCC(=O)NN)C1	82469323	PKCIJEXKWBFXNR-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CCOC	82470196	DFEGZUJYFNJKLG-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H](O)C1	86313608	PYAGYWKIXMNYDV-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NNC(N)=S)O1	88143344	NZEKGJUXSCPCBO-UHNVWZDZSA-N	203.267	-0.582	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(OCCO)CC1	129815239	YLXKGJUMTQRSHS-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)[C@@H]1CO	227214445	MIEFJNJFQCVOFZ-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CO[C@]1(C)CCCN(CC(=O)NN)C1	230294262	XOMKXVNHAAMZAY-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
CCN(CCC#N)[C@@H](COC)C(=O)NN	232419819	DUDWVLPRHKHROX-QMMMGPOBSA-N	214.269	-0.773	50	10	BBGE	
C[C@@H]1CN(C)CCN1Cc1ccccc1B(O)O	235490785	DHJGMYGWKUMANI-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
Cc1cnn(CC(C)(C)C(=O)NN)c(=O)c1	235800357	IVOSYAYQFGMONS-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@H]2Cl)cn1	236113165	OHWQHXKWPOUSJD-RITPCOANSA-N	213.624	-0.233	50	10	BBGE	
CC(C)n1ccc(NC(=O)C(=O)NN)n1	300909288	RLTPZKDCRSVQLR-UHFFFAOYSA-N	211.225	-0.608	50	10	BBGE	
O=C1C[C@]2(CC(=O)N3CCC[C@H]32)C(=O)O1	300947459	FCRGMYQWEDLTKY-WKEGUHRASA-N	209.201	-0.159	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1C[C@@H]1CO	307761315	YWBDBWJZZBYDLA-UHNVWZDZSA-N	244.110	-0.361	50	10	BBGE	
Cl[C@H]1COC[C@H]1NCCN1CCOCC1	323434267	BHXZOVBVVTXXPZ-VHSXEESVSA-N	234.727	-0.086	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@]12CCOC2	380111698	RZMHJGQFQDEJFN-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
OB(O)c1cccc([C@H](O)C(F)(F)F)c1	382769639	GXTDCAKUMIUGRZ-ZETCQYMHSA-N	219.955	-0.038	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H]1C	385613043	FOPZRBZUJVWUAC-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)CC(=O)c1ccc(F)c(B(O)O)c1	390387158	FCWRIKSKPHSGEA-UHFFFAOYSA-N	223.996	-0.333	50	10	BBGE	
NCC/C(CCC(=O)O)=N\NC(N)=O	393552973	JBGNWZMFVBKVLJ-YHYXMXQVSA-N	202.214	-0.776	50	10	BBGE	
CCc1ccc(B(O)O)c(CCC(=O)O)c1	396063711	ZBZDOCWNSOKJBU-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
CC(C)NC(=O)NCc1ccc(B(O)O)cc1	405132618	HGXOYAXQYYWKLM-UHFFFAOYSA-N	236.080	-0.426	50	10	BBGE	
O=C1C[C@@H]([C@@H]2CCS(=O)(=O)C2)C(=O)O1	685961789	WJNLDMFLCWSTQO-RITPCOANSA-N	218.230	-0.489	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CO)CC[C@@H]1C	688740844	JWZYFEARCITSSE-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	690067977	UAZMGNLPTIXJPK-NXEZZACHSA-N	235.048	-0.660	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccnn1	700691236	DRQVJRLDBKBMOE-SSDOTTSWSA-N	209.253	-0.713	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC(C)C)C1	701686468	SZRHMLOIESUQFB-NXEZZACHSA-N	245.323	-0.509	50	10	BBGE	
O=C(CCl)[C@H](O)[C@H](O)[C@H](O)CCl	701693055	MLQSSVPAOPJIFW-PUFIMZNGSA-N	217.048	-0.884	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCCSCC1	701931181	GVDFNLKITMJAHF-SSDOTTSWSA-N	217.099	-0.352	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COCC[C@@H]1O	710949144	BHZAROOUJMCJNB-BQBZGAKWSA-N	243.712	-0.706	50	10	BBGE	
NNC(=O)CSc1n[nH]c(C2CC2)n1	714108873	QIPKCXKZGWYQCU-UHFFFAOYSA-N	213.266	-0.236	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](CO)CN(C)C	716786297	OYOROKVKHDOWGI-BQBZGAKWSA-N	208.689	-0.348	50	10	BBGE	
CCCNC(=O)NCc1cnc(B(O)O)s1	718814817	QAKLVBFFDOTXGF-UHFFFAOYSA-N	243.097	-0.968	50	10	BBGE	
Cn1nccc1CC(=O)NNC(=O)C1CCC1	767915880	IPPRXSLWRDPGRU-UHFFFAOYSA-N	236.275	-0.090	50	10	BBGE	
O=C(NNC(=O)c1ccc[nH]1)c1nc[nH]n1	773259278	GHFYAZVQSXRWED-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
CNC(=O)NN=C1CC(=O)N2CCC[C@@H]12	799477709	GIMKEFSQMAXHGQ-ZETCQYMHSA-N	210.237	-0.334	50	10	BBGE	
CCC/C=C/[C@@H](O)C(=O)NN(C)C(N)=O	901279475	RMAFQVBCWFNQBM-WEWAHIQMSA-N	215.253	-0.255	50	10	BBGE	
CC(C)C(=O)NNC(=O)CC1(O)CCOCC1	1334873861	OFRAFSNLBBLDHK-UHFFFAOYSA-N	244.291	-0.279	50	10	BBGE	
Nc1nnn(CC(=O)NNc2ccccc2)n1	1446527338	QEQZYQZMWHTXNX-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)n[nH]1	1472179608	YWRRMNXEEMWRED-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)OC	1558900152	ARIBZIHXZURTDW-RQJHMYQMSA-N	214.221	-0.035	50	10	BBGE	
CNC(=O)NNC(=O)c1nnc(C)s1	1583198070	QWSVEBCQBCUSES-UHFFFAOYSA-N	215.238	-0.580	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(F)cc1N	1626582734	MSNFJFGBPXUVDE-UHFFFAOYSA-N	226.211	-0.018	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1cccnn1	1643661486	UCGDWYMHTXHGDN-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
OCC1(CO)C[C@@H](O)[C@H](Br)C1	1878103932	GRZXRFUWXIQZQR-PHDIDXHHSA-N	225.082	-0.124	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](CO)[C@@H](F)C1	1884618185	HENDVILVRJOAOM-BQBZGAKWSA-N	245.703	-0.183	50	10	BBGE	
C[C@@H](F)[C@@H]1CCCN1C(=O)C(=O)NN	1885618295	GXVTUGSEEVHGIC-RITPCOANSA-N	203.217	-0.675	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)CC(=O)NN)C1	1887045455	TXPOSYUKWNMPGA-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc(Cl)c(O)nc1=O	1894124551	DEMJBGWIOIAHJP-SCSAIBSYSA-N	246.654	-0.457	50	10	BBGE	
C=C(CN(C)C[C@H](CC)OC)B(O)O	1895213247	YIMJLYCVJXXTQN-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](F)C1	1897040318	ADKDFLNAOQUGOA-APPZFPTMSA-N	231.271	-0.166	50	10	BBGE	
C[C@@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	1901237331	IKCBZLGYUUYUHO-RDDDGLTNSA-N	219.049	-0.001	50	10	BBGE	
C[C@H]1CN[C@@H]1C(=O)NN(C)S(=O)(=O)C1CC1	1901343032	UMDJCBYEMPZENA-XPUUQOCRSA-N	247.320	-0.951	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)ccc2=O)O1	1910024809	IZUMLUIIBIMCFY-PSASIEDQSA-N	237.064	-0.904	50	10	BBGE	
N#CC1(O)CCN(CC[C@@H](N)C(=O)O)CC1	1921695066	XVYVQEODABELFJ-MRVPVSSYSA-N	227.264	-0.861	50	10	BBGE	
O=C1NCC[C@@H]1NNC(=O)C(F)(F)F	1923408075	SLBVOGMXKHZMQU-VKHMYHEASA-N	211.143	-0.942	50	10	BBGE	
C[C@H](O)CCN(C)CC(F)(F)C(=O)NN	1927816774	ROKDFVHAKSMIGG-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1928309079	YAYIXBUTZNWVFC-NRPADANISA-N	213.281	-0.788	50	10	BBGE	
Cn1nnc(C(=O)N[C@H](CCl)C2CC2)n1	1930728430	IHGFKZFSVRULKE-ZCFIWIBFSA-N	229.671	-0.043	50	10	BBGE	
COC[C@@]1(OC)CCN(C(=O)NN)C1	1931666237	ABPODRHICALFNA-MRVPVSSYSA-N	203.242	-0.693	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	1937460682	JMJQUERGZSHYRC-IWSPIJDZSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1C(F)(F)F	1937817185	VPSSJPKHIRLBDO-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](O)[C@H](F)C1	1941011906	MAHLNLITDNGPPY-ZJUUUORDSA-N	247.314	-0.059	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)[C@H](C)CO1	1941774222	GYXBULWAZWLGFE-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)COCCN1CC[C@]2(CCCO2)C1	1941780923	VTJXPKUJILNHHX-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
NNC(=O)C(=O)NCC1(C2CCOCC2)CC1	1942576473	ANLJRJHTUJYCCM-UHFFFAOYSA-N	241.291	-0.701	50	10	BBGE	
C[C@]1(CO)CCN1Cc1cc(C(=O)NN)co1	1947986231	RKPAOVGOLCHVGD-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
NC(=O)[C@H]1CCN1CCOCCCl	1954820774	NEOFHWRPYQKAKF-SSDOTTSWSA-N	206.673	-0.199	50	10	BBGE	
C[C@H](CCNC(=O)C(=O)NN)C(F)(F)F	1957648103	BACGPNAJCZOKKI-SCSAIBSYSA-N	227.186	-0.319	50	10	BBGE	
Cc1ccn(-c2ncccc2B(O)O)n1	1961722499	HOHAMYOKELIEHA-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C(Cn1cccn1)N1CCC(B(O)O)CC1	1964499934	DKKOJSZPQIBHMD-UHFFFAOYSA-N	237.068	-0.652	50	10	BBGE	
CCCOC1CCN(C(=O)C(=O)NN)CC1	1976174282	WPQDPLAGLNHJGG-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CCC1	1977118546	BFCQJOUZRYIHLP-UHFFFAOYSA-N	220.037	-0.396	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(O)C1	1980978152	IHUNORXYGRDGBF-NGZCFLSTSA-N	227.308	-0.542	50	10	BBGE	
CCON(c1ncc(B(O)O)cn1)C(C)C	1981410430	ZTTQXOFUAZYSKY-UHFFFAOYSA-N	225.057	-0.677	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ncc(B(O)O)cn1	1981413345	FQUNJHNHCPOZTP-XPUUQOCRSA-N	225.032	-0.907	50	10	BBGE	
C=CCCOc1nc(C)nc(C)c1B(O)O	1981427881	XCOTWAIIPRVEIG-UHFFFAOYSA-N	222.053	-0.272	50	10	BBGE	
COC(=O)C1(C)CN(C(=O)NC(=O)CCl)C1	1982153108	HOGUCPGLZNOPFO-UHFFFAOYSA-N	248.666	-0.044	50	10	BBGE	
CN(C)CCOC[C@H]1CC[C@@H](C(=O)NN)O1	1982817832	APJCANYWGPGXBS-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1(F)CCC1	1984102848	XWAAFEGVJORMGO-UHFFFAOYSA-N	225.028	-0.580	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC=C[C@@H]1CO	1985647828	CLLJQHLMLQEMAE-NXEZZACHSA-N	227.308	-0.376	50	10	BBGE	
C[C@H](O[C@H]1C[C@H](n2cccn2)C1)C(=O)NN	1986220741	CGNWLKUQRIDNCE-CIUDSAMLSA-N	224.264	-0.018	50	10	BBGE	
CO[C@H](C)CC(=O)N[C@@H]1CCC=C1B(O)O	1991333220	BZWYLDYISZHCEL-VXNVDRBHSA-N	227.069	-0.372	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2CCC=C2B(O)O)C[C@H]1F	1991334483	WJKKYMZPBPVXLV-MRTMQBJTSA-N	227.044	-0.049	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	1991337475	NISHTVIBBRFYCV-IWSPIJDZSA-N	225.053	-0.762	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1NC(=O)C=CC(=O)Cl	1991655480	WSGXSPUZPQXNQC-XNCJUZBTSA-N	246.650	-0.933	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1C[C@H](CO)CO1	1991662276	JSCXQYYVOAAETM-SFYZADRCSA-N	247.678	-0.178	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOC[C@@H](CO)C1	1991714014	AFEHPFWMGQEINF-FHKCNRDCSA-N	247.678	-0.225	50	10	BBGE	
O=C(CC1C[C@@H]2C[C@H]2C1)NCC#CB(O)O	1992125162	OHYUDNIUOQMQNU-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@]12CC2(F)F	1992139386	UDBAKQDTCBWYFM-XPUUQOCRSA-N	228.991	-0.837	50	10	BBGE	
O=C(CC1CC(F)C1)N[C@H](CB(O)O)C(=O)O	1998138787	ZWCTWFQWTIMTDL-KPGICGJXSA-N	247.031	-0.833	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H]3C[C@@H]32)n1	2003505837	JGGHDAQZBPDYKR-XCBNKYQSSA-N	235.291	-0.382	50	10	BBGE	
CCCOC[C@@H]1CCCN(C(=O)C(=O)NN)C1	2003794334	ZFIWPEQSKWOOTH-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
C[C@@H]1CCC[C@@H](C)N1c1ncc(B(O)O)cn1	2004911779	KTAOSQXLRUDXJJ-RKDXNWHRSA-N	235.096	-0.076	50	10	BBGE	
OB(O)c1cncnc1N1CCC(F)(F)CC1	2004917567	CTCKLZZNVIMMOW-UHFFFAOYSA-N	243.022	-0.608	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)CC(C)(C)C(=O)NN	2006196410	BEGIGZRPOVTQKP-NXEZZACHSA-N	241.335	-0.173	50	10	BBGE	
CN(C)C1C[C@@H]2CC[C@H](C1)N2CCC(=O)NN	2006382314	QMPVKZFULWODKV-ZACCUICWSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](N(C)C)C2	2006383123	YDZXCMYPNVKGBW-UKKRHICBSA-N	240.351	-0.078	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H](F)C[C@@H](F)C1	2011406171	PRMDDGRMQJWMED-KNVOCYPGSA-N	243.022	-0.957	50	10	BBGE	
CC[C@](C)(CN(C)CCOCC(=O)NN)OC	2013417467	JILDLXVFSMHBOP-LLVKDONJSA-N	247.339	-0.260	50	10	BBGE	
CC(C)(CN1CC[C@H](CO)C12CC2)C(=O)NN	2016079227	FWBQDCZXGWNESQ-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	2016209531	WYTYSMPHVAULBP-FTYOSLGDSA-N	245.298	-0.308	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(CC(=O)NNC(C)=O)C1	2019207330	BGMXPYRURGWYCQ-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@@H]2CC[C@H](C1)O2	2021114657	NGDMWDPETYYQJL-PBINXNQUSA-N	237.064	-0.924	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@]2(CO)C1	2021657256	VGWVQRZTYPAUAT-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H](C)COCC12CC(C(=O)NN)(CO1)C2	2023836658	FTBXNPCPELSNEB-PUSIOWJLSA-N	244.291	-0.423	50	10	BBGE	
COC[C@H](C)COc1ncc(C)cc1B(O)O	2026074319	LWQPPWYFNBYYMY-VIFPVBQESA-N	239.080	-0.269	50	10	BBGE	
CC12COC(COc3cncc(B(O)O)c3)(C1)C2	2032917159	WJFXSTLPDVILBK-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
CC(C)N1CCN(c2ncccc2B(O)O)CC1	2052491099	ISSQYTLQUNRQKM-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C)c1ncc(B(O)O)c(C)n1	2052552390	RVYCMBCEUXKTKU-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
COc1cc(OC(F)F)cc(C=O)c1B(O)O	2060325550	LVOYAYUZKMPJQD-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	2069652269	ZHSRZDDNHNVHOD-KWQFWETISA-N	249.075	-0.413	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@]12CC[C@@H](CO1)C2	2073085772	ZUASVPKZXSDENF-SKDRFNHKSA-N	249.075	-0.903	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccccc1B(O)O	2079008355	ILFWXTWUOIPPHK-IUCAKERBSA-N	245.087	-0.248	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]32)CCC1	2212263263	TWBLKUXWEZEESS-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1ncccc1B(O)O	2212601018	HLBITPQVUGEECK-YUMQZZPRSA-N	224.069	-0.877	50	10	BBGE	
OB(O)c1ccc(NCc2csnn2)nc1	2212602609	HDZGQPDFUCYNPO-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1ncccc1B(O)O	2212610273	GATXQJRLLDWJDO-IUCAKERBSA-N	222.053	-0.649	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2215772192	MIRGZDUKMJCLCP-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1CC[C@H](CNc2ccc(B(O)O)cn2)O1	2217174481	ZROAXUCVOWGNDZ-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC23CCCC3)nc1	2217175720	MRPLMDYKBCXCJL-SECBINFHSA-N	233.080	-0.099	50	10	BBGE	
Cc1cnc(N2CC[C@@](C)(O)C2)cc1B(O)O	2217182542	DZGJJNDUBSIRKN-LLVKDONJSA-N	236.080	-0.969	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)[C@@H]1CCNC1	2217183611	MBJWUCAPYVTLCI-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
NC[C@@H]1CC[C@H](Oc2cc(B(O)O)ccn2)C1	2217191145	IIROFYSCNXIPQM-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]1(F)CCOC1	2217197838	RRPVGFFJGPWYJJ-JTQLQIEISA-N	240.043	-0.698	50	10	BBGE	
C#CCCN(c1ncc(B(O)O)cn1)C1CC1	2217198794	GJRMGHXPXMMHDE-UHFFFAOYSA-N	231.064	-0.852	50	10	BBGE	
CC(C)C[C@@H](O)CNc1ncccc1B(O)O	2217203312	SLIGRDWMVAVRIB-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1Cc1cccc(B(O)O)c1	2220061223	CUIOFCDTMVKOFT-GWCFXTLKSA-N	249.119	-0.288	50	10	BBGE	
Cn1cncc1CCNc1ncccc1B(O)O	2223629611	VRTPIRCBKFDNRP-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@H]3CC[C@H]32)c1	2223635561	YPBUDWOILDCEOV-AXFHLTTASA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@@H]2CC[C@@H]21	2223642205	GPSQJZBGSMNKQY-JMJZKYOTSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(N[C@@H]2CCNC2(C)C)cc1B(O)O	2223651214	VWGGVIIWDNEQBO-SNVBAGLBSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@@H]2C2CC2)nc1	2223652181	CLLPQONHRFFDGN-ZYHUDNBSSA-N	248.091	-0.719	50	10	BBGE	
Cc1cnc(N[C@@H]2CNCC23CC3)cc1B(O)O	2223653935	VZNBIPSLXXEMTF-SNVBAGLBSA-N	247.107	-0.766	50	10	BBGE	
OB(O)c1ccc(=NCc2cccc(F)c2)[nH]c1	2223664996	AUHQQTSRWJWJGP-UHFFFAOYSA-N	246.050	-0.066	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(c2ccc(B(O)O)cn2)C1	2223671409	LOLVUOLFJUKMJS-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
O=C(C#CB(O)O)NCc1ncccc1Cl	2243349453	LPWWYTWRLCFUKB-UHFFFAOYSA-N	238.439	-0.633	50	10	BBGE	
C=CC1(NC(=O)c2nscc2B(O)O)CC1	2243349929	SOYWNKNOHYYCQY-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1occc1B(O)O	2243363368	FTOGRJRNUWISPI-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)C1(B(O)O)CC1	2243364338	VLJZGKQDSZKIKS-ZETCQYMHSA-N	229.085	-0.483	50	10	BBGE	
O=C(N1C[C@@H]2COCC[C@H]21)C1(B(O)O)CC1	2243365731	REASQWSAZYQACS-HTQZYQBOSA-N	225.053	-0.759	50	10	BBGE	
O=C(NC1CC1)c1cc(F)ccc1B(O)O	2243367564	VDZXXDZYLXXQAG-UHFFFAOYSA-N	223.012	-0.602	50	10	BBGE	
CP(C)(=O)C1(CNC(=O)C#CB(O)O)CC1	2243400184	WZFSZIKYCPHAOF-UHFFFAOYSA-N	243.008	-0.727	50	10	BBGE	
CC[C@](C)(O)CNC(=O)C1CC(B(O)O)C1	2243403927	GHGJUWZHUKKSAR-KTOWXAHTSA-N	229.085	-0.483	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)oc1C	2243408204	JBZSZTWWWOQDBO-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C#C[C@@H](NS(=O)(=O)CC(=C)B(O)O)C(C)C	2243412884	VSBUVGYRBQNSMU-SECBINFHSA-N	245.109	-0.868	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)c(C)s1	2243413904	POOBWGRQJGVAAV-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
O=C(O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414615	FBYJVLYZWYNNSI-KNVOCYPGSA-N	229.041	-0.780	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1C=CCCC1	2244126165	ZPPSPZXAEQGBAS-QMMMGPOBSA-N	220.037	-0.356	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@H](C)C(=O)NN	2244881024	BWDGBPBWDDVRPB-UWVGGRQHSA-N	231.340	-0.049	50	10	BBGE	
CO[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2247742733	SVCHFGPURCAQLI-ILWJIGKKSA-N	237.064	-0.830	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1occc1B(O)O	2247755377	PURKCUMQWYVGFE-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247758441	VHKNJKIQTUEAAJ-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ncccc1B(O)O	2247768854	ACCOGKGSDMOTCU-QMMMGPOBSA-N	232.048	-0.956	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)C2CC(B(O)O)C2)c1C	2247799872	JECNOXGKFDPLAM-UHFFFAOYSA-N	237.068	-0.360	50	10	BBGE	
COCC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247800590	QLJKCOWMRBHDJR-ZJUUUORDSA-N	241.096	-0.266	50	10	BBGE	
Nc1ccccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247805416	KDWFTJAFBCCBDU-BDAKNGLRSA-N	234.064	-0.252	50	10	BBGE	
CC(C)N(C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807451	IGPHOYYTRCZWSM-MGCOHNPYSA-N	242.128	-0.304	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247809371	YSXBTCOZOCPTRS-QGVKSAJWSA-N	240.112	-0.789	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ccc(B(O)O)o1	2247841458	ICTVMGWHRFDBPS-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
CC(C)(C)CN(CCC#N)C(=O)C#CB(O)O	2247849905	GUJSTLXOPFHXPN-UHFFFAOYSA-N	236.080	-0.210	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)C1(B(O)O)CC1	2247854181	YGPOVKDAGVIWDS-UHFFFAOYSA-N	237.068	-0.018	50	10	BBGE	
CC1(N)CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247854601	FNXQVSHMRNJQRS-UVCIYIGYSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ncccc1B(O)O	2247869149	MQBOLFWAWCZYAF-APPZFPTMSA-N	234.064	-0.710	50	10	BBGE	
CCN(CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247887600	PPRQACDOHYSSLF-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
CC1(C)C[C@H](N)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247898264	BTFBRRROGCIHMK-IWSPIJDZSA-N	240.112	-0.422	50	10	BBGE	
C[C@@H]1C[C@]1(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248576103	DESUZQIMLMPBIC-VBRPXKDXSA-N	241.052	-0.781	50	10	BBGE	
O=C(NC1(CCF)CC1)c1cc(B(O)O)co1	2249415196	AVUGWNXDZSINDE-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
CO[C@H]1CC[C@@H]1CC(=O)NCCC#CB(O)O	2250008738	PJMLRKNURPMRPT-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
C=CC[C@]1(CO)CCN(C[C@@H](C)C(=O)NN)C1	2250432028	YQFBXJXSJOQPSS-PWSUYJOCSA-N	241.335	-0.127	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cccc(B(O)O)c1F	2255503597	MSHPBLBHJZNFOP-MRVPVSSYSA-N	249.050	-0.046	50	10	BBGE	
CC#CCCNC(=O)c1ccc(C)c(B(O)O)c1	2255512252	XDPXICLIUXWTIV-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
Cc1ccnc(NC(=O)c2c[nH]nc2B(O)O)c1	2255687055	AWEOYBZXYFXNOU-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1cncc(B(O)O)c1	2255717539	ZXCWDAJEEMTVDO-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccncc1B(O)O	2255732402	UTAZLHCVOKWVOH-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258134225	LQMHXLDSIJXBAQ-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1cc(B(O)O)co1	2258134951	YLHIQEZNUHRXFO-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1cocc1B(O)O	2258135927	IETDVEAUQMSQJW-BRPSZJMVSA-N	249.075	-0.313	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)cc2C)CC1	2258947771	MLNQLPSKYTUQIU-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)nc(C)n1	2258958896	ZETIEIPREZZAPS-UHFFFAOYSA-N	247.063	-0.771	50	10	BBGE	
N[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C12CCC2	2298370157	QBTXAHJTWSZUHR-FNCVBFRFSA-N	238.096	-0.765	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C)CCCC(=O)NN	2302060118	NCVUUIGCRDXQJB-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
O=C(O)C1CC(C(=O)N2CC[C@@H](B(O)O)C2)C1	2303113394	BOOVMOUMPRZRBG-KAVNDROISA-N	241.052	-0.828	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@H]1C1CC1	2303184418	ZIADFVMDQJEFOG-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H](CCO)Nc1cc(B(O)O)c(F)cn1	2303834224	BSNCBBLXRVWTLA-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](Nc1cc(B(O)O)ccn1)C2	2312613159	DEMRLXQWMDRSKF-JLLWLGSASA-N	248.091	-0.259	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317307785	DZRSEXPZUPXQIV-SKDRFNHKSA-N	249.075	-0.374	50	10	BBGE	
C[C@H](CN1C(=O)c2ccncc2C1=O)C(=O)NN	2328518106	BUWYLJGYAJKJCO-ZCFIWIBFSA-N	248.242	-0.696	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCO1)[C@@H]1CCCO1	17083958	DAUSWOVXMOMPJL-YUMQZZPRSA-N	228.248	-0.508	50	10	BBGE	
CCOCC(=O)NNC(=O)c1cnccn1	73420966	JMWGVJSGWCWAIR-UHFFFAOYSA-N	224.220	-0.726	50	10	BBGE	
NNC(=O)[C@H](CN1CCNCC1)c1ccccc1	80955328	UHYSSFUQYRSUPL-GFCCVEGCSA-N	248.330	-0.335	50	10	BBGE	
CC(C)N1CCN(CCC(=O)NN)CC1	82467850	NPNMHDPLUUDOCI-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
COCCn1cccc(C(=O)NN)c1=O	82664336	DZTUEVVOWGARPR-UHFFFAOYSA-N	211.221	-0.902	50	10	BBGE	
NNC(=O)C(=O)NCC(C1CC1)C1CC1	83912106	AXJOOVOKEIIDTC-UHFFFAOYSA-N	211.265	-0.471	50	10	BBGE	
Cn1c(/C=C/C(=O)Cl)cc(=O)n(C)c1=O	84825017	CFOYUCFVXLKMGI-ONEGZZNKSA-N	228.635	-0.137	50	10	BBGE	
CCCC(=O)NCC(=O)NNc1cnccn1	114880823	KMAPCQGXDNZFDM-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	123112613	SJWPVFWYNJPBON-KWQFWETISA-N	241.291	-0.870	50	10	BBGE	
C[C@@]1(O)CCCN(CCC(=O)NN)C1	157538509	OXINBTLRANVGNG-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
CO[C@]1(CN2CC(=O)OC(=O)C2)CCOC1	159365021	LOIWRXDLBMYTPO-JTQLQIEISA-N	229.232	-0.823	50	10	BBGE	
O=C(CCCl)NCCC(=O)N1CCOCC1	163576203	WZEBQPUEUXGDHH-UHFFFAOYSA-N	248.710	-0.020	50	10	BBGE	
COC(=O)[C@@H]1C[C@H]1C(=O)NNc1ncccn1	171367805	UYEVIPKKNIMNJC-RNFRBKRXSA-N	236.231	-0.271	50	10	BBGE	
NC(=O)[C@@H]1CCCN(C[C@@H](O)CCl)C1	225626783	BXOCQZQKEIUNFL-SFYZADRCSA-N	220.700	-0.217	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C[C@@H](Cl)C#N	228520731	FMIPDXUXNQMEPC-JGVFFNPUSA-N	231.683	-0.436	50	10	BBGE	
COc1ccc(O[C@H]2CCOC2)c(B(O)O)c1	228666460	BQETWBPTGQBIGV-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
Cn1nnc(CNCCCOCCCl)n1	230769278	DXWSFIADURNXDJ-UHFFFAOYSA-N	233.703	-0.055	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCl)c1nn[nH]n1	232299231	LFQBRIICRHCXIT-SCSAIBSYSA-N	239.688	-0.581	50	10	BBGE	
CNC(=O)CNC(=O)[C@@H](C)Br	234338039	UXBFAOIYQSGDEB-SCSAIBSYSA-N	223.070	-0.368	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cncn1C	234552115	IXDBXZMNMUGTAP-LURJTMIESA-N	245.666	-0.070	50	10	BBGE	
CC[C@H]1CN([C@H](C)CC(=O)NN)CCN1C	251632940	FOLSMIXDYCJZIK-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CN1CCN(CCBr)S1(=O)=O	306294526	CMPKMEOWHGRWDX-UHFFFAOYSA-N	243.126	-0.127	50	10	BBGE	
C[C@@H](Br)C(=O)N(C)C(CO)CO	308098671	FKUOCVPUPMYSDU-RXMQYKEDSA-N	240.097	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O	376821001	CMCZXAGJXBXNMJ-VIFPVBQESA-N	249.270	-0.013	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(CC(=O)NN)C[C@@H]3C2	394365550	NUPCOKDOGONWRU-MVBDTIADSA-N	225.292	-0.669	50	10	BBGE	
CCOc1cccc2oc(B(O)O)nc12	396098621	BEKWKWRBDLZSSG-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
O=C(O)c1c(B(O)O)ccc2c(O)csc12	396373344	AADFBHPSSDALLU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
Cc1cc(N[S@](C)=O)ccc1B(O)O	405125511	YOILFQYJIAMQKZ-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
CNC(=O)Nc1ccc(B(O)O)c(C)c1	405156175	WPTNEZYRNANGIG-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)cc1C	405161199	GBXQDVWNPQJGPQ-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
NNC(=O)C(F)(F)CSC1COC1	685957851	IUJHREACEHYPFM-UHFFFAOYSA-N	212.221	-0.256	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1ccc(C(=O)NN)o1	688396322	XCIOORWZAJANKF-MRVPVSSYSA-N	241.291	-0.057	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]([C@@H](C)O)C1	688961854	VIFBTJPBGMVUNR-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@H](C)CC(=O)NN	692096205	OSXKEFPGIBVTSO-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N(CC)CC)C1	697806040	PDTYKBPGXIQKFW-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CCC[C@H](S(=O)(=O)NCB(O)O)C1	701949854	JXYFLXDQXBPEGK-SFYZADRCSA-N	235.114	-0.504	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1cn(C)nn1	702000129	ORABLKSLQPSILJ-VIFPVBQESA-N	240.311	-0.595	50	10	BBGE	
COC[C@H](O[C@@H]1COC[C@H]1C)C(=O)NN	703546462	VEVDRXPTOQKELW-PRJMDXOYSA-N	218.253	-0.957	50	10	BBGE	
CCCn1nc(C(=O)N(C)N)ccc1=O	704706808	PURBNRZXMLGMJC-UHFFFAOYSA-N	210.237	-0.401	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC(F)(F)C(=O)NN	705853091	DHDXSRQSUBLZFC-UHNVWZDZSA-N	210.180	-0.379	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@@H](O)C1CC1	708543606	IFQLALGQDCEKGR-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CN1S(=O)(=O)CCl	715584832	KZVHKUYAFSAZIF-RFZPGFLSSA-N	209.654	-0.009	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1	723860963	CAABAVXIQFDBML-BDAKNGLRSA-N	241.291	-0.702	50	10	BBGE	
O=C(NNS(=O)(=O)N1CCC1)C1CCC1	795319422	YWECUVMXHZPHLY-UHFFFAOYSA-N	233.293	-0.642	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)[C@H]1COCCO1	866255002	GFVVSLQIJDCIDN-HOOMWESVSA-N	246.238	-0.187	50	10	BBGE	
CCC/C=C/[C@H](O)C(=O)NNC(=O)C(C)(C)O	907626090	KVEGBRYFKHWADY-CZEYKFRCSA-N	244.291	-0.378	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc(F)c1N	1292009218	BCGUFSHMIPHFGJ-UHFFFAOYSA-N	226.211	-0.018	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)NC2CC2)nn1	1292119548	DRICMBSDRHDWJQ-UHFFFAOYSA-N	235.247	-0.109	50	10	BBGE	
Cc1cc(C)c(C(=O)NNC(=O)c2cnn[nH]2)[nH]1	1293055132	YPKSSBZNBBVHHT-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
CC[C@H]1C[C@@H](C=NNC(=O)C(N)=O)CCO1	1323581633	BTIMXLGXOZTJIF-YUMQZZPRSA-N	227.264	-0.221	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCNC(=O)CC1	1346490981	FUTLHYAYEHQBEP-VIFPVBQESA-N	243.307	-0.488	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(CO)nc1	1450944065	IZRBAOIGCMUNGZ-MRVPVSSYSA-N	239.275	-0.469	50	10	BBGE	
O=C(CO)NNC(=O)NCc1ccco1	1542337773	PJXNUTLBQSWPCU-UHFFFAOYSA-N	213.193	-0.898	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)C1CC1	1628293497	BHWJGDALCGTAMO-UHFFFAOYSA-N	222.248	-0.100	50	10	BBGE	
CC[C@H](Cl)C(=O)NCC[C@H](O)CO	1882383791	XTYHFHAYFSNDTJ-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
O[C@H]1C[C@H](O)CN(C[C@@H](O)CCl)C1	1882572744	SAXOPRGDTSESQO-FXQIFTODSA-N	209.673	-0.986	50	10	BBGE	
C[C@H](N)CS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883564061	PWBDFASKOOESQW-ACZMJKKPSA-N	226.729	-0.120	50	10	BBGE	
C[C@@H]1NC(=O)CN(C[C@H]2C[C@H]2Cl)C1=O	1893098433	INMIZOSJJMKRTD-RRKCRQDMSA-N	216.668	-0.039	50	10	BBGE	
CN=c1nc[nH]c(=NC[C@H]2C[C@@H]2Cl)[nH]1	1893098918	LRGOKHWILNUVMK-RITPCOANSA-N	213.672	-0.204	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NC[C@@H]1C[C@H]1Cl	1893106701	HLKAHGCMGBRKEK-KVQBGUIXSA-N	220.656	-0.468	50	10	BBGE	
CN(C)CCOC[C@@H]1CC[C@H](C(=O)NN)O1	1896174926	APJCANYWGPGXBS-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CCC(=O)Nc1cc(F)c(B(O)O)c(F)c1	1901985552	HALHDCUYJXEZEH-UHFFFAOYSA-N	228.991	-0.007	50	10	BBGE	
Cc1nn(C[C@@H]2CC[C@H](C(=O)NN)C2)c(=O)o1	1908357851	KMSPPJVOBKKEAM-SFYZADRCSA-N	240.263	-0.449	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@@H]1CO	1909057789	WHZNBJQCRMUVTP-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
CC[C@@H]1CCN([C@H](COC)C(=O)NN)CCO1	1913637349	WLOGWTBULVTWCY-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC[S@](C)(=O)=NC[C@@H]1CC[C@@H](C(=O)NN)O1	1913887786	HKCYWGKEOGOOLW-UFIJUMAVSA-N	249.336	-0.358	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC1(O)CCC1	1914572217	WGXJFTPQEUWUHL-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC1(C)C	1915703155	MFPUJFXFTZROHO-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
CO[C@H]1CNC[C@H]1C(=O)N1CC=C(C#N)CC1	1917080738	RLYFCLNXZDFYIY-MNOVXSKESA-N	235.287	-0.097	50	10	BBGE	
CCn1c(C)nn(CC2(C(=O)NN)CC2)c1=O	1923073505	ZNROHUXKRRFRIE-UHFFFAOYSA-N	239.279	-0.857	50	10	BBGE	
N#Cc1cnn(CC(F)(F)C(=O)NN)c1	1927816037	GRQJCIZTACKPRP-UHFFFAOYSA-N	215.163	-0.620	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(C(F)F)C1	1927909129	VDXBKXISLCPTME-FSPLSTOPSA-N	219.235	-0.191	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(F)(F)C1	1927913407	IVGKQALAVJYZEY-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
COC[C@@H](C)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927915650	JGZGHWOBADKOLM-HRDYMLBCSA-N	215.297	-0.421	50	10	BBGE	
Cc1cn(CCNC(=O)CCl)nn1	1930811641	ZAPCBWRSIUAULE-UHFFFAOYSA-N	202.645	-0.058	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC=CCO1	1931605561	YKYZEHGMMPXNHT-YFKPBYRVSA-N	201.251	-0.804	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1CCCOC1	1932290642	NIVOIQLTXMCMIG-HRDYMLBCSA-N	214.265	-0.192	50	10	BBGE	
CC(=O)N1CCc2ccc(B(O)O)cc2C1	1937506698	WLISHCYHNDSAGQ-UHFFFAOYSA-N	219.049	-0.729	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@]21C	1940009634	GZJVPWHHUWBLHA-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccn(C2CC2)c1=O	1941090416	ZPKQDJOQHABZKD-VXNVDRBHSA-N	236.275	-0.389	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@H]1CN	1945007871	RGYSSBRLNWVKGU-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)N1C	1945894370	UHDFWBUPEHRJKK-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
COc1cc([C@@H](N)[C@H](O)C#N)cc(O)n1	1953031501	OYQBQBRGCNUMQL-HZGVNTEJSA-N	209.205	-0.320	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCc1nc(=O)o[nH]1	1957318808	PVKXLQBGZFLVDI-SCSAIBSYSA-N	219.628	-0.004	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)[C@@H](C)CCl	1958192254	YTCHDEYLFMZIHW-CBAPKCEASA-N	239.699	-0.653	50	10	BBGE	
CN(CC(=O)NCC(F)(F)F)C(=O)NN	1961609295	PZUSSBVJHHLMMU-UHFFFAOYSA-N	228.174	-0.820	50	10	BBGE	
CCC(C)(C)Oc1ncc(B(O)O)cn1	1961714362	WZWNLIYFQKBHBP-UHFFFAOYSA-N	210.042	-0.276	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961927285	UBZKPKFSVCHIIT-CBHQDSPSSA-N	233.695	-0.044	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)C[C@@H](C)Cl)C1	1962372387	FICQHIASTFKLFL-ZCFIWIBFSA-N	235.667	-0.250	50	10	BBGE	
Cn1nccc1C=CC(=O)N1CC[C@H](B(O)O)C1	1964510924	SBNUINFUTRJBJL-VIFPVBQESA-N	249.079	-0.491	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cc1	1965497804	QBQNBLDWWGBCBF-QWRGUYRKSA-N	245.087	-0.248	50	10	BBGE	
CN(CC(=O)NN)[C@H](CCO)C(F)(F)F	1975121612	GCWIFMZAFRGDFS-RXMQYKEDSA-N	229.202	-0.779	50	10	BBGE	
Cc1nc(N(C)CC2CC2)ncc1B(O)O	1981447333	LYFXYIDPCAAVHE-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
OB(O)c1cncnc1Sc1ccccn1	1981465106	JUMHDSFBFNIJMM-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
COC(=O)C1CN(C(=O)NC(=O)[C@H](C)Cl)C1	1982152991	GIQJOVFLZVAFPL-YFKPBYRVSA-N	248.666	-0.045	50	10	BBGE	
CC(C)(CN1C[C@@H](F)[C@@H](CO)C1)C(=O)NN	1983561137	YKEIBPJHFWPNEG-HTQZYQBOSA-N	233.287	-0.735	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C1CC(O)C1	1984129596	GNBLYCRLTLESPJ-UHFFFAOYSA-N	237.250	-0.543	50	10	BBGE	
COC[C@@H](C)Oc1ncc(F)cc1B(O)O	1988003889	NZPJAYKLTCCBEM-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
NNC(=O)CCN1CC(O)(c2ccsc2)C1	1989950389	ZEJSYJMLECBBIP-UHFFFAOYSA-N	241.316	-0.369	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@](C)(F)C1	1990775053	QPSSAALDKOYIEF-SNVBAGLBSA-N	231.271	-0.022	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)S[C@H](C)C1	1990775499	WITRKALTHNEKFT-OCAPTIKFSA-N	245.348	-0.021	50	10	BBGE	
C[C@@H](CN(CC(F)F)C1COC1)C(=O)NN	1991227423	KMKFJMASQWMAPI-LURJTMIESA-N	237.250	-0.422	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNC[C@@H]1C(=O)O	1991647884	JGENPOZWVJEKNJ-ZCFIWIBFSA-N	246.650	-0.807	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(n2cnnc2)C1	1991650556	NUCQPSIUXXRLHI-UHFFFAOYSA-N	240.650	-0.017	50	10	BBGE	
NC[C@]1(CO)COCCN1C(=O)[C@H]1C[C@H]1Cl	1991674340	CUVCCKFDHATKFE-XKSSXDPKSA-N	248.710	-0.838	50	10	BBGE	
CO[C@H]1CN[C@H](CNC(=O)/C=C/C(=O)Cl)C1	1991715423	UOSKJGIJMKBJBR-RIAPOHOLSA-N	246.694	-0.199	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NCC#CB(O)O	1992138491	JCWGJALTPLMECN-MUWHJKNJSA-N	231.007	-0.591	50	10	BBGE	
CC[C@@]1(C(=O)NCC#CB(O)O)CCCO1	1992153349	NYMIHHMVEGXBOX-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)C[C@@H]1CO	1993217098	GHHLHOKWEIFNOD-SFYZADRCSA-N	247.678	-0.348	50	10	BBGE	
OB(O)c1ccc(F)cc1OCCC1COC1	1998050582	MNKQYXJXRFHKOX-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000813963	JZJMXCPZYSLPKN-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1C[C@H](C)C(=O)NN	2004015298	AOKGUUINUYAPKJ-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
Cc1cccc2c1CN(C(=O)C(=O)NN)CC2	2004322432	CGTITYLJFGSYFL-UHFFFAOYSA-N	233.271	-0.130	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C)(CF)C1	2008689650	FXDVTEIOVNSSJD-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(=O)NC[C@H]1C	2010567208	BYRCJTTTWJVPLA-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CC[C@H](OC1CC(n2cncn2)C1)C(=O)NN	2012098697	AXXRQLUIAXFPSV-HACHORDNSA-N	239.279	-0.233	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1(CO)CC1	2012612751	FOVIXBNVQJVDSL-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCOC[C@H]2C1)C(=O)NN	2013061928	FTEGFHVBPXIXJJ-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
C=C(CN1CC[C@H](COCCOC)C1)B(O)O	2021158795	INCFIZZNXNPAIG-NSHDSACASA-N	243.112	-0.461	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H]2CCC[C@H]1COC2	2021404411	OYYGVDQIHVBUTE-RCWTZXSCSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1CN(C)CCN(c2ccncc2B(O)O)C1	2052506970	KYZUVCBJWCZUGE-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2Cc1cccc(B(O)O)c1	2067400002	NIIWOFCMTYGTDG-QWHCGFSZSA-N	246.119	-0.745	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COCC[C@H]21	2073061221	NLOABXNWHKPSEM-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1ccnc(OCC(F)F)c1	2210063707	BYKQLGMHODQVHG-UHFFFAOYSA-N	202.953	-0.595	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cn1)C1CC1	2212615409	OOTPVSRCFDVMGE-UHFFFAOYSA-N	216.049	-0.637	50	10	BBGE	
CN(C[C@@H]1CCN1C)C[C@@H]1CC[C@@H]1C(=O)NN	2215774949	FPCLLNUVXNGLTC-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C[C@@H](F)C2)CCC1	2216493152	ZOIBEZIQYIEWJU-RKDXNWHRSA-N	245.298	-0.449	50	10	BBGE	
COC[C@@]12CN(CCC(=O)NN)C[C@H]1CCO2	2217035993	FQOGOJABPXWJEW-KOLCDFICSA-N	243.307	-0.896	50	10	BBGE	
CC(C)(CCO)Nc1nccc(B(O)O)c1F	2217179780	OHYCQEJLSSGPTP-UHFFFAOYSA-N	242.059	-0.527	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCNCC2)nc1	2217183764	KXYTXOCRXOXYEB-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
N[C@@H](COc1ncccc1B(O)O)CC(F)F	2217184301	OFSVGEYKEYVKID-ZCFIWIBFSA-N	246.022	-0.877	50	10	BBGE	
Cc1c[nH]c(=NCCC(F)(F)F)cc1B(O)O	2217185010	XORMSXBTMWIYGG-UHFFFAOYSA-N	248.013	-0.144	50	10	BBGE	
CO[C@@H](CNc1ncccc1B(O)O)C(C)C	2217185334	VPFXTXWZIQAILF-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNc1cc(B(O)O)ccn1	2217203980	CPRQGLIQTLSBNW-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCCCN1	2223626250	HDGCMZDACWRMOX-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ncccc2B(O)O)[C@@H]2C[C@H]12	2223639495	RMUWSASUSVYRQY-SJQPAMGKSA-N	248.091	-0.810	50	10	BBGE	
Nc1cccc(COc2ncc(B(O)O)cn2)c1	2223665109	CKWYCMYDVZSNAA-UHFFFAOYSA-N	245.047	-0.682	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1Nc1ccc(B(O)O)cn1	2223669786	OLNYXBYRZQGNLT-GHMZBOCLSA-N	249.123	-0.167	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](C1)[C@@H]2O	2241815928	SQKPMRRLECXRRN-XAVMHZPKSA-N	205.685	-0.101	50	10	BBGE	
CC=C1CN(C(=O)c2coc(B(O)O)c2)C1	2243348585	ZZUBNDWOJMNLMS-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
COC[C@H](C)NC(=O)c1cc(B(O)O)cs1	2243385262	GDGFRXBYFZXGLD-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243390759	AVCUSAQKEQXQSP-HRDYMLBCSA-N	226.085	-0.811	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC=C[C@@H]1CF	2243395800	BXPKGRUOOFQUCC-AMDVSUOASA-N	227.044	-0.024	50	10	BBGE	
N#C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243398175	NUCPBTKNCQEBQC-MRVPVSSYSA-N	222.053	-0.244	50	10	BBGE	
N#CCCN(CC1CC1)C(=O)C#CB(O)O	2243400230	XUYDUBRUOFJMCV-UHFFFAOYSA-N	220.037	-0.846	50	10	BBGE	
CN(C[C@H]1C=CCCC1)C(=O)C#CB(O)O	2243400301	YVEPRGVFMZAGHW-JTQLQIEISA-N	221.065	-0.184	50	10	BBGE	
C#C[C@H](NS(=O)(=O)CC(=C)B(O)O)C(C)C	2243434186	VSBUVGYRBQNSMU-VIFPVBQESA-N	245.109	-0.868	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@H]21	2247722179	KXEHYDGYCYAQHW-IONNQARKSA-N	235.048	-0.498	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)C1(B(O)O)CC1	2247756068	LZTOVQVWGBILEL-UHFFFAOYSA-N	231.020	-0.679	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ccc(B(O)O)cn1	2247768906	APCUAXASFDVFOE-QMMMGPOBSA-N	236.080	-0.368	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2247780387	BBNPSLAKVLGILO-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CO)CC1	2247785481	LFEHFIZOTSDWRU-HLTSFMKQSA-N	241.096	-0.483	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]1	2247787728	SXLKNAJMNWKNQO-OCAPTIKFSA-N	237.068	-0.413	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](O)C(F)(F)C1	2247798561	VLFUAGMATWBJNT-ACZMJKKPSA-N	249.022	-0.922	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247799980	KACWXAGYXVOCJU-ZKCHVHJHSA-N	237.068	-0.711	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)C1CC(B(O)O)C1	2247800712	RTZTWNUJBKLTMV-UHFFFAOYSA-N	237.068	-0.379	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCNC1	2247800931	VCRVHCZTEPQDNZ-AFWXGSBKSA-N	240.112	-0.646	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@@H]21	2247805971	LORGAKNQCJPRBN-ZTYHWHRISA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1CCCNCC1)C1CC(B(O)O)C1	2247806049	CZGDHOPPXFZBDI-RTBKNWGFSA-N	240.112	-0.502	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1ccc(B(O)O)o1	2247849282	YBXRRICEZPRBES-NKWVEPMBSA-N	241.027	-0.611	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1cc(B(O)O)c[nH]1	2247850395	ODQBPHLHLISQMB-HTRCEHHLSA-N	240.043	-0.876	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247855356	REGGYBBBXXZLBG-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
C=CCCNC(=O)c1ncc(C)cc1B(O)O	2247859540	NPRGCTMZPXUQEB-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
O=C(NC1([C@@H]2CCCO2)CC1)C1(B(O)O)CC1	2247879918	ZDGQIKWPYZFLQW-QMMMGPOBSA-N	239.080	-0.179	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccnn1C	2247896199	YAYVCMGMVAUJMW-GJMOJQLCSA-N	237.068	-0.540	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1O	2247897865	XLUNZANKZXHNMW-HRDYMLBCSA-N	241.096	-0.531	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCCCC1	2247898147	ASCIPAQGOISWEW-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
O=C(N[C@@H]1CCNC12CCC2)[C@H]1C[C@@H]1B(O)O	2247899399	NCFPHBVWTHGHSI-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CC(C)N(CCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248585336	JTZYQPMRZCOABB-JGVFFNPUSA-N	243.068	-0.439	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248586311	YYCMZLFOLPAMDB-RRQHEKLDSA-N	243.068	-0.439	50	10	BBGE	
O=C(N[C@H](CCF)C(=O)O)C1CC(B(O)O)C1	2248586385	AEFWSIOJDAMBKN-KPGICGJXSA-N	247.031	-0.832	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1cc(B(O)O)co1	2249417072	AGGLDBFWWMXGMW-QMMMGPOBSA-N	236.036	-0.619	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2cncc2C1	2249737835	CDDLZTXFTQFJJD-SNVBAGLBSA-N	237.307	-0.287	50	10	BBGE	
COc1ccc(CNC(=O)C#CB(O)O)c(C)n1	2255460116	PWZCZLDRMCFECA-UHFFFAOYSA-N	248.047	-0.970	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1[C@@H]2CC[C@@H]12	2255504817	NBYSTHTXJMCULV-RKDXNWHRSA-N	248.091	-0.909	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1ncccc1B(O)O	2255517479	WENXJKMOBGDCAI-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
O=C(NCCc1ccoc1)c1cc(B(O)O)co1	2258129619	XRHGXXOJSBGTRH-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
Cc1cc(O)cc(C(=O)NCCC#CB(O)O)c1	2258958757	XNWHACUJTGRQKY-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CCC[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369354	ROALFOVKASTVRV-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
COC[C@H]1C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377554	VSHNRDINHCOPNM-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2298463554	KNTUKLDNZIEGEW-NUMRIWBASA-N	241.052	-0.924	50	10	BBGE	
C[C@H](CC(=O)NN)OCCN1CCOC[C@H]1C	2300927963	ZZAGEEWEKSAJKM-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)CCO1	2303834151	AOBPZPJQDHSXSG-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3CCC[C@H]32)ncc1F	2303837333	YRQNPSDCFOHGBD-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	2304206041	SKMVGQNORIPVLR-HWUMTFDVSA-N	241.335	-0.296	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1cc(B(O)O)ccn1	2307288832	WQWSGOBEUFFUJH-WAAGHKOSSA-N	238.071	-0.054	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2316955777	MCMNULRGBNCZHZ-VROVMSAKSA-N	248.091	-0.464	50	10	BBGE	
CNCC[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317160600	GBNFHXYZFLUPJZ-SECBINFHSA-N	248.091	-0.385	50	10	BBGE	
C=C(CO)CCNc1ccc(B(O)O)cc1C#N	2317167759	LPUDWMRSVDXGLT-UHFFFAOYSA-N	246.075	-0.411	50	10	BBGE	
Nc1nc(N)nc(CBr)n1	1749894	CFDIKCANOYSMES-UHFFFAOYSA-N	204.031	-0.069	50	10	BBGE	
CCCC[C@H](CC)C(=O)NNC(=O)C(N)=O	5793144	KTYGWHJPEBNRPY-ZETCQYMHSA-N	229.280	-0.165	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)NN	42452325	BWGOHYDIGZNVBI-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CC[C@@H](C)N(CCOC)C(=O)C(=O)NN	42597264	WVRZZECAWZUYOO-SSDOTTSWSA-N	217.269	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)C1CCCC1	50107014	CFVIMMYQBPQGHD-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
C[C@@H](CN(C)CCN(C)C)C(=O)NN	58837511	OXRDBQAICRKQBS-QMMMGPOBSA-N	202.302	-0.894	50	10	BBGE	
COC[C@@H](C)N(C)CCCC(=O)NN	82469592	NCZUOTQNRIVEKQ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
NC(=O)C[C@H](N)c1nnc(CCCl)o1	83349589	KBRQITCZQPFVNM-BYPYZUCNSA-N	218.644	-0.274	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(=O)NC(=O)C1	85085489	YXVPFJKXYQXQSN-RXMQYKEDSA-N	218.640	-0.654	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSCCCO)O1	85164571	MIOKWIXZFYCFIL-JGVFFNPUSA-N	234.321	-0.361	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(C(N)=O)CC1	93071673	JOSQZXZMLHWMSY-YUMQZZPRSA-N	242.323	-0.802	50	10	BBGE	
CC(=O)N1CCN([C@H](C)[C@@H](C)C(=O)NN)CC1	93071678	OQNOBBKSTFZLNW-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC(=O)NC1CC1	93072120	YOIMQTKHUYGQCM-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCn1nc2n(c1=O)CCCCC2	112172871	DOBQDCJRKUAUID-UHFFFAOYSA-N	239.279	-0.849	50	10	BBGE	
CN[C@@H]1CCN(CC(=O)NNc2ccccn2)C1	129084102	FQMUQUGOHWHJKX-SNVBAGLBSA-N	249.318	-0.182	50	10	BBGE	
O=C=NCNC(=O)N1CC[C@]2(CNC(=O)C2)C1	170294185	AHWHXTZIDRICFL-JTQLQIEISA-N	238.247	-0.799	50	10	BBGE	
CCOC(=O)c1ccc(O)c(B(O)O)c1	206045466	UTQHKDGRKXDPFY-UHFFFAOYSA-N	209.994	-0.751	50	10	BBGE	
CCN(CC(C)C)[C@H](COC)C(=O)NN	232419081	QOLULVWRUPOAFM-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](CSS(=O)(=O)O)NC(=N)N	238390320	PICKCQYFWVPTCC-VKHMYHEASA-N	213.284	-0.606	50	10	BBGE	
CNC[C@@H]1CCCN([C@@H](C)[C@H](C)C(=O)NN)C1	252595094	HBRXGHSJZNWFPG-DCAQKATOSA-N	242.367	-0.068	50	10	BBGE	
COc1ccc(F)cc1[C@@H](N)C(=O)NN	258988528	KSLXKMZCLLNREN-MRVPVSSYSA-N	213.212	-0.176	50	10	BBGE	
CN(N)C(=O)[C@H](N)c1ccc2c(c1)OCO2	259085994	OSHVITFWSNGOJW-SECBINFHSA-N	223.232	-0.253	50	10	BBGE	
CC(=O)NC1CN(C(=O)CBr)C1	306642365	SQECDPZAPIZDOL-UHFFFAOYSA-N	235.081	-0.272	50	10	BBGE	
COC1CN(CC(C)(C)C(=O)NN)C1	308537608	MRVFPEANKJDEIF-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](C)COC	309075337	JOOCXUZUEMDZDP-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
O=C(CCCCl)N[C@H]1COC[C@@H]1O	323111410	HJHPMXURSAPTIF-BQBZGAKWSA-N	207.657	-0.119	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1[C@H](C)CC(=O)NN	384912721	QAOBXDGEBDTPCC-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](O)C1(C)C	390365763	UDKJHEYLGQHZKW-IUCAKERBSA-N	229.324	-0.154	50	10	BBGE	
COC(=O)CCc1c(CC#N)cccc1B(O)O	396135804	GLWDTQOCXJZSBL-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
N#Cc1sc2cccc(B(O)O)c2c1CO	396230577	YNZZESYLFINGAP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]2C1)C(=O)C(=O)NN	403410003	KHZPKRRELVXAJA-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
CC(C)C(=O)NCc1ccc(B(O)O)cc1	404993896	FPMYOKLGMBBSJP-UHFFFAOYSA-N	221.065	-0.361	50	10	BBGE	
Cc1cc(B(O)O)ccc1NS(C)(=O)=O	405108323	AVFOMNPSYHRWGD-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
CN(C)C(=O)Nc1ccc(F)cc1B(O)O	405144490	LALMCRGUMIZMFY-UHFFFAOYSA-N	226.016	-0.401	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)[C@@H](C)CC(=O)NN	688142899	FCSVCGNQRPFGIC-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
Cn1cnnc1COc1ccccc1B(O)O	690861218	QDRDNBKDTZGAPM-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CCCN(CC(N)=O)[C@H](CC(C)C)C(=O)NN	695062951	SONVIUKNHNGGIH-SECBINFHSA-N	244.339	-0.412	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CC2(COC2)C1	697130278	CJFCGBUVZPNIGN-UHFFFAOYSA-N	247.103	-0.493	50	10	BBGE	
NC(=O)NNC(=O)c1n[nH]c2c1CCCC2	713799108	CTAKNMZGQAZHEQ-UHFFFAOYSA-N	223.236	-0.398	50	10	BBGE	
O=S(=O)(CCCl)NC/C=C/CO	717530663	GRTKJXXOLWJWNR-OWOJBTEDSA-N	213.686	-0.307	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2COC[C@H]2C1	718159070	GPVYUEGHPYFVKU-DTORHVGOSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718257738	CNZBQWNKTYOOPB-UTINFBMNSA-N	225.292	-0.524	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2C[C@H]1CO2	718325759	VKADVUPUIZBHJX-WDSKDSINSA-N	218.640	-0.066	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)[C@@H]2COCCO2)CO1	842528093	PHBDYPFOYLIBKG-APPZFPTMSA-N	228.248	-0.317	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862890753	BFALVLDFRYLKOO-HIYAPSCVSA-N	242.275	-0.096	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NCC1CC1	900384416	IDTGSFHQDDFFHR-UFUPEUMYSA-N	227.264	-0.336	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cncnc1	1324473889	OTAQEJQSJLYEBB-UHFFFAOYSA-N	207.237	-0.512	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ncc[nH]2)cn1	1465304321	IGBHZTWJINGNGG-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(O)cn1	1542415371	YVBUHZPWQQIWDB-UHFFFAOYSA-N	224.220	-0.297	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2cnn[nH]2)CC1	1616392358	NGXUXASVYWTSSM-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
O=C(NNC(=O)C1CCC1)c1cc(CO)on1	1628929439	VFPSLZPRFVNRGO-UHFFFAOYSA-N	239.231	-0.272	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CCc1cnn[nH]1	1631557156	ABPNZLVOTWIBMV-UHFFFAOYSA-N	240.267	-0.524	50	10	BBGE	
O=C([C@@H]1C[C@H]1Br)N1C[C@H](O)CO1	1877336577	NLAYHWHWXJVWLD-KVQBGUIXSA-N	236.065	-0.096	50	10	BBGE	
CC[C@H](Cl)C(=O)NCC[C@@H](O)CO	1882383794	XTYHFHAYFSNDTJ-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2C[C@H](O)C[C@@H]21	1886576805	UTXMDUUJFRKJDX-GJMOJQLCSA-N	219.668	-0.024	50	10	BBGE	
CS[C@H](C)C(=O)NCCC#CB(O)O	1886640562	ABYZARPVLVXEET-SSDOTTSWSA-N	215.083	-0.740	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](NC[C@H]2CCO2)C1	1888527040	GDTUFGQUPOHAQM-BWZBUEFSSA-N	239.724	-0.231	50	10	BBGE	
C[C@@H](CO[C@@]1(C)CCOC1)C(=O)NN	1888721178	KVRWSFBCKOKACZ-CBAPKCEASA-N	202.254	-0.192	50	10	BBGE	
CN(CC(CO)CO)C(=O)[C@H]1C[C@H]1Cl	1893469829	MUUZZVZNYBXWKO-JGVFFNPUSA-N	221.684	-0.327	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCCS1(=O)=O	1893840616	HMLKXPMJTIGKSP-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)S1(=O)=O	1893852482	WJTLXLPAMSYBTC-NKWVEPMBSA-N	235.309	-0.821	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2[C@@H]1C[C@H]2O	1895662912	OZZMVCNVOMSOIL-BQHMLIOBSA-N	227.308	-0.544	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)[C@H]1C	1897041097	IECRWJCGCHEOSX-IONNQARKSA-N	229.280	-0.737	50	10	BBGE	
C=CCNCC(=O)NN(C)S(=O)(=O)CCC	1901339653	RAPOPYQJSRHDGU-UHFFFAOYSA-N	249.336	-0.535	50	10	BBGE	
CCSCCN=c1cc(B(O)O)c(F)c[nH]1	1903005633	JGCUHKLDIPSWGR-UHFFFAOYSA-N	244.100	-0.513	50	10	BBGE	
C[C@@H]1C[C@H]1COc1cc(B(O)O)c(F)cn1	1903022017	YEGYHUVVSDLMPP-RQJHMYQMSA-N	225.028	-0.065	50	10	BBGE	
CN(C)C[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1905755254	SRWOCNYPEYVVJO-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CCc1cn(C[C@@H](C)C(=O)NN)c(=O)nc1O	1912227317	CDCCDCMYQZFOAO-ZCFIWIBFSA-N	240.263	-0.863	50	10	BBGE	
CN(Cc1ccc(F)c(B(O)O)c1)C1COC1	1915673984	JUQZGJRRMADOBW-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
CCN(C[C@@H]1CC[C@H](C(=O)NN)O1)OC	1928675627	SIXUKCGJDXGLTP-JGVFFNPUSA-N	217.269	-0.593	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)C[C@H]1F	1928694797	TUJWOXUGGPWOPJ-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
CN1C[C@H](NCc2ncnn2C)[C@H](Cl)C1	1928754719	DTECMTOYKFTROW-SFYZADRCSA-N	229.715	-0.174	50	10	BBGE	
C[C@](O)(CN)CN1CCC(O)(C#N)CC1	1928976559	NINJVOKJVSCKNG-VIFPVBQESA-N	213.281	-0.953	50	10	BBGE	
O=S(=O)(N[C@H]1COC[C@@H]1Cl)N1CCC1	1929938217	DBZCAIKXHOJNSN-BQBZGAKWSA-N	240.712	-0.467	50	10	BBGE	
CCC(F)(F)C(C)(C)NC(=O)C(=O)NN	1930164514	NGGXHYIEGXDWPO-UHFFFAOYSA-N	223.223	-0.084	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CN2CCC1CC2	1930905708	UFPFEGYPPXMFGA-ZETCQYMHSA-N	212.253	-0.972	50	10	BBGE	
C[C@H](N)CSC[C@@H]1C[C@H]1C(=O)NN	1931386510	HINZCBDMXMHQJJ-LYFYHCNISA-N	203.311	-0.307	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC(F)(F)C1	1932127460	RWSPSNNRNTVHMM-YFKPBYRVSA-N	209.196	-0.710	50	10	BBGE	
NC(=S)NNC(=O)c1cn(C2CC2)nn1	1933226949	GCOZASCPFAOXBA-UHFFFAOYSA-N	226.265	-0.909	50	10	BBGE	
NNC(=O)C1(CN(CCCO)C2CC2)CC1	1938247576	VIJILUPLUUOBFO-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](CN1CC2(CC=CCO2)C1)C(=O)NN	1938348508	VHTWPDWJMODBTO-SECBINFHSA-N	225.292	-0.357	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@@]21C	1940009635	GZJVPWHHUWBLHA-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13	1940824580	IRJRXDXURLNQBB-PJFCORBGSA-N	239.275	-0.950	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941074628	SXEMZBAGZQWMOM-MIMYLULJSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944604290	POADQJKGWJYSST-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC2)C[C@H]1CO	1949698058	WTJCPYSXAQXLAX-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@H](O)C#N)cn1	1952996095	MFIXAVSWJDEJRY-BDAKNGLRSA-N	221.216	-0.248	50	10	BBGE	
Cc1ncc(B(O)O)c(SC(C)C)n1	1956966506	WHDCXPOYBFTMJI-UHFFFAOYSA-N	212.083	-0.035	50	10	BBGE	
Cc1nnc(O)n(C[C@H](O)CCl)c1=O	1957346184	MIHHMCUVTUJCGV-RXMQYKEDSA-N	219.628	-0.748	50	10	BBGE	
Cn1nnc(CNC[C@H]2C[C@H](CCl)CO2)n1	1975557808	QOXITDCIQOCDLW-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1CNC(=O)C(=O)NN	1977350124	OKCPTGSWSHTERI-CLZZGJSISA-N	239.197	-0.319	50	10	BBGE	
CCCCCC(=O)N=c1nc(B(O)O)[nH]s1	1979354301	RSFWMLGAJWCGNN-UHFFFAOYSA-N	243.097	-0.841	50	10	BBGE	
CC[C@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	1984101916	PHRYARVXNVMQKM-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(CC[C@@H]2O)C1	1986977526	VSLSWBXQGJCQOZ-WCABBAIRSA-N	227.308	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)O[C@@H](C)C1	1990776424	KLMXHWDRDXDCEH-YUMQZZPRSA-N	229.280	-0.737	50	10	BBGE	
OB(O)c1csc(O[C@H]2CCOC[C@@H]2F)n1	1991729455	WWPRYTSCGIADOZ-WDSKDSINSA-N	247.056	-0.671	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1CN2CCC1CC2	1992112764	DDQFBPHHDWKDSO-ZETCQYMHSA-N	235.234	-0.320	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](O)C12CCC2	1993529699	YKMHFUGUOIYCPW-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
Cn1nnc(C(=O)N[C@H](CCCl)C(=O)O)n1	1994361732	YQFJEEWKURUJRN-SCSAIBSYSA-N	247.642	-0.978	50	10	BBGE	
Cc1noc(CN(C)CC2(C(=O)NN)CC2)n1	1997732805	BKSKIDCEPDZADW-UHFFFAOYSA-N	239.279	-0.420	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCOC2CC2)n1	2004929521	LILBHPVREADORV-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
Cc1nn(-c2ncc(B(O)O)cn2)c(C)c1C	2004991849	WFFMXKDFWRZEIZ-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1cnc(Sc2ncncc2B(O)O)nc1	2005005606	SUWGQRBMTXYPDX-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)nc1	2005810200	ULVGBAHNRGQAMR-CPOMMVLXSA-N	230.076	-0.394	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@](C)(O)C1	2017233387	FLLLRMHOIGWUAN-IQJOONFLSA-N	245.323	-0.916	50	10	BBGE	
CCC[C@H](COC)N(C)CC(=O)NNC(C)=O	2019208831	JFCIAIVHRVVIBF-SNVBAGLBSA-N	245.323	-0.099	50	10	BBGE	
CCC[C@@H]1COCCN1CC(=O)NNC(C)=O	2019213562	WMMCIGGYCNZSOS-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CO[C@H]1CCC[C@@H](C(=O)NCC#CB(O)O)C1	2021114322	LZOSRTJDQOWJJP-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
CC[C@H]1CCCCN1C(=O)NCC#CB(O)O	2026189070	RUVJNBANXNRQJA-JTQLQIEISA-N	238.096	-0.024	50	10	BBGE	
C[C@H]1CCC[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2040767003	LTLFJSOQUGOFQV-IONNQARKSA-N	249.079	-0.469	50	10	BBGE	
C[C@H]1CN(C)CCCN1c1ncccc1B(O)O	2052490575	DIGUIGGEAARPPW-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2[C@H]3CC[C@H]32)c1B(O)O	2052554558	WHXMYZOOILOLAP-MYJAWHEDSA-N	247.107	-0.443	50	10	BBGE	
OB(O)c1cnc2c(-n3ccnc3)ccnc2c1	2052598872	XFAOOFKRZVRYFZ-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3CCC2CC3)n1	2052625564	MNQRQLRYIMUSPX-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@H]1C=CCCC1	2055729365	XLPVMNNELILPLH-QMMMGPOBSA-N	244.063	-0.213	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2079010160	XLJYAHOXQKFDBL-UWVGGRQHSA-N	245.087	-0.152	50	10	BBGE	
C=C(CO)CCNC(=O)c1ccc(B(O)O)cc1	2079010298	OMHAARZPUGOIQA-UHFFFAOYSA-N	249.075	-0.965	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@H]1C[C@@H]1Cl	2208662089	UHBKTPFPSJRBLU-ACZMJKKPSA-N	207.657	-0.263	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]2CC[C@@H]21	2211141892	YUDYVUMAAMJVTK-XCBNKYQSSA-N	238.121	-0.193	50	10	BBGE	
CC[C@H](Oc1ncccc1B(O)O)[C@H](C)N	2212603135	CMKOIJYPBSUEQK-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
CCOC(=O)Nc1nc(B(O)O)ccc1Cl	2212763024	DHUITVJJZOOFRP-UHFFFAOYSA-N	244.443	-0.017	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@H]1CC[C@H]1C(=O)NN	2215773937	VAQGDTNYAQFKGX-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CC12CC(CN1c1nccc(B(O)O)c1F)C2	2217181631	SIUKGOUOZAEDDH-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H](CCCO)Nc1nccc(B(O)O)c1F	2217183144	GIELABXNDKDRGS-ZETCQYMHSA-N	242.059	-0.527	50	10	BBGE	
Cc1cnc(NC[C@H]2CCOC2)cc1B(O)O	2217185104	YKLIMWXJJKKVFN-SECBINFHSA-N	236.080	-0.482	50	10	BBGE	
OB(O)c1cnc(N2[C@H]3C=CC[C@H]2CC3)nc1	2217185471	XWFWCYSZLPRWHR-UWVGGRQHSA-N	231.064	-0.546	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	2217193136	SDSJGRCWVNHSQQ-AXFHLTTASA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@@H]3C2)c1	2217198836	HASUDKYYAAHGME-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
NC1CC(F)(CNc2ncccc2B(O)O)C1	2217200464	KGIVAGCBBOHNDV-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
CN(C)NC(=O)N1CC[C@](CF)(C(=O)O)C1	2243268247	ZJOZBJAZIAZVGJ-SECBINFHSA-N	233.243	-0.081	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)C1(B(O)O)CC1	2243364115	RALCIEMVYLDLHP-UHFFFAOYSA-N	223.041	-0.625	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)cs1	2243385998	SCMJWLOFQFRDLK-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
C[C@H]1CCN(C(=O)c2sncc2B(O)O)C1	2243386255	XFHZKVMJKZRAEX-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243393056	ZTDFNLOEEYYJTH-YUMQZZPRSA-N	226.085	-0.906	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@H]2C1	2243400781	HVIHUZZIHMEYKN-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
O=C(N[C@H]1CCCOC1)C1CC(B(O)O)C1	2243403674	ATXBIFOAZKTZHT-HACHORDNSA-N	227.069	-0.465	50	10	BBGE	
Cc1ncoc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243403722	BPNMXYSDYXDVLQ-BQBZGAKWSA-N	224.025	-0.538	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C(=O)C1(B(O)O)CC1	2243408595	QBGFOMNYPBBHKY-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)C1(B(O)O)CC1	2243409949	RWRCJUBSZMSYLB-QMMMGPOBSA-N	225.053	-0.593	50	10	BBGE	
C[C@H](Oc1cccc(CCO)c1)C(=O)NN	2243583918	CNOFSPQGYDJPJF-QMMMGPOBSA-N	224.260	-0.021	50	10	BBGE	
C=CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2243675316	UXYOCKKPYGOQDM-QMMMGPOBSA-N	219.049	-0.270	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(CC2)C1	2244212206	MRJHPMSZGJWCIC-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC2(CN(C)C(=O)CO2)C1	2245326895	IPWBHCKMLFZQMM-SSDOTTSWSA-N	246.694	-0.317	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)C1(B(O)O)CC1	2246175991	ABNONLUEQXQNLY-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@H](C(=O)Nc1ccnc(B(O)O)c1)C(F)F	2247506441	WOJYTBKSRUFBAU-YFKPBYRVSA-N	244.006	-0.399	50	10	BBGE	
O=C(NCC1CC=CC1)c1cc(B(O)O)c[nH]1	2247739742	ASGBDJVJOJNTIG-UHFFFAOYSA-N	234.064	-0.610	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NN1CCC1	2247752099	IMALWRLZOMRLGP-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CCON(C)C(=O)c1ccc(F)c(B(O)O)c1	2247756962	IDKFTAFZLJIOHW-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1C(=O)C1CC(B(O)O)C1	2247799552	FIORRPJHHAVOAA-DKEVHCRPSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1OC2(CN(C)C(=O)C#CB(O)O)CC1C2	2247849773	FAVDPANMTUTYOV-SILCLGDVSA-N	237.064	-0.972	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858585	FWQWQICCNZADOD-AATLWQCWSA-N	240.112	-0.565	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247860542	XXWJJTUYHXGXLP-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1occc1B(O)O	2247879113	QNUUUSBTEBXDNG-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
C#CC1CC(NC(=O)c2cscc2B(O)O)C1	2247879299	SFEDVQMFUWSXKJ-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1CN	2247898222	BJIAPBASIRAKJI-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
Cc1ccc(NC(=O)C[C@@H](C)O)cc1B(O)O	2248443348	MYKGCNRSPXGMRD-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248573470	FHIWMXPRFZWJTE-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
CC[C@H](C)[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248593725	PWKJULJRKHNZIT-YUMQZZPRSA-N	241.052	-0.993	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2249416102	NDKYAYOZKOXFRT-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)co1	2249431368	URMBVXLWETYWQG-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
OB(O)c1cnccc1OCc1cccnc1	2253407157	XRAOJHNNHYPVDF-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1coc(B(O)O)c1	2255458822	WYWVDDGWNQZQLR-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC=CCC1	2255464403	WDBXIEPLXUESOY-SNVBAGLBSA-N	248.091	-0.125	50	10	BBGE	
C#C[C@@H](NC(=O)c1occc1B(O)O)C1CCC1	2255487373	OAMKZZPHCAIZNI-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
Cc1cccc(C(=O)N2CC=CCN2)c1B(O)O	2255511817	PKNGLLXESKGINY-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)cn1CC	2255513108	LJFCBQWQTDGLOX-SECBINFHSA-N	248.091	-0.719	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1cc(C)cc(B(O)O)c1	2255514914	PJBJOUOQPAFVQQ-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
C#C[C@H](NC(=O)c1ncccc1B(O)O)C(C)C	2255519656	ABCREBINZVKXEC-JTQLQIEISA-N	246.075	-0.851	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1cncc(B(O)O)c1	2255521358	VWAXEKBHRFEUGU-SECBINFHSA-N	246.075	-0.709	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC[C@H]2C[C@@H]21	2255533118	YDNZOTKRUZCYHN-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
O=C(NCCC1CC=CC1)c1cc(B(O)O)n[nH]1	2255551184	UKEMIOCHGNLDIJ-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
O=C(NCc1ccccn1)c1ccc(B(O)O)o1	2255676596	SXCCNTKDMKKDTR-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1ncccc1B(O)O	2255716686	TXCHHJWENWPARH-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ccncc1B(O)O	2255726416	VESBGDMWIFGBLQ-MRVPVSSYSA-N	246.075	-0.709	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCc1cc[nH]c1	2255728020	YQQCZUOVGBDXHX-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258126025	CWXLMDNNJHHKFC-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368568	MBCMVRCVSXBZLK-KZVJFYERSA-N	241.096	-0.628	50	10	BBGE	
C[C@@H](CN)CNc1ccc(C=O)c(B(O)O)c1	2301420532	HNSFNBNGBRQAEZ-QMMMGPOBSA-N	236.080	-0.814	50	10	BBGE	
O=Cc1ccc(N2CC3CC2C3)cc1B(O)O	2301453418	VPMHEIMSLIFVII-UHFFFAOYSA-N	231.060	-0.223	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303102845	AUDDAKQBNMBFIY-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
COC1(C)CN(c2cc(B(O)O)c(F)cn2)C1	2303848209	VZEWGPWOBAXWHL-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)CCO1	2317150253	COWBGFKFLLAXQB-SECBINFHSA-N	246.075	-0.537	50	10	BBGE	
NC1(CCOc2ccc(C=O)c(B(O)O)c2)CC1	2317309516	TWJNTXKPLXLQSI-UHFFFAOYSA-N	249.075	-0.561	50	10	BBGE	
C=CC[C@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2317316538	IAJDPCPKGLJZLI-LLVKDONJSA-N	249.075	-0.472	50	10	BBGE	
COC(=O)CN(C)C(=O)NC(=O)[C@H](C)Cl	36905696	WYGOQCSKBJYRDU-YFKPBYRVSA-N	236.655	-0.045	50	10	BBGE	
CN(C)C(=O)CCNC(=O)NC(=O)CCl	45014364	JFTVENDKBSZRNR-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
Cc1ccc(CNC(=O)C(=O)NN)s1	50227055	XGJGPXIAJZCPAU-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
NNC(=O)CCN(CC(N)=O)C1CCCC1	82469966	YVHNBVWVVVXVDZ-UHFFFAOYSA-N	228.296	-0.904	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C)CCC(=O)NN	82471157	SSEMKIGZJRSHRG-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)C1CNC1	90290075	XRDUMWLWKJBZAB-UHFFFAOYSA-N	235.291	-0.572	50	10	BBGE	
CC1(C)[C@@H]2CC[C@]1(C(N)=O)C(=O)OC2=O	101022848	LDOJEYJKQSTIMH-FWOIEVBISA-N	211.217	-0.022	50	10	BBGE	
CCN1CCN(C[C@@H](Cl)C#N)C(=O)C1=O	139575294	FHOBEMBYBYKQDR-ZETCQYMHSA-N	229.667	-0.192	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@@H](C(=O)O)O1	149098029	UBBKJWGUYQNTTI-BQBZGAKWSA-N	231.252	-0.606	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cnc(C#N)c1C#N	164686831	KNCIORNWLQABLC-LURJTMIESA-N	218.220	-0.433	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H](CC(=O)O)C(=O)O	170312646	UBBXBIQEWFUAPC-UHNVWZDZSA-N	237.639	-0.095	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2ccnc2)c1	203582032	PBYYGGFGGRGHBT-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CCN(C=O)COc1ccc(B(O)O)cc1	208612691	NSQFQYQGQYQZKE-UHFFFAOYSA-N	223.037	-0.819	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H](N)CCC)B(O)O	213698154	XXFWXPTVDDISDU-RKDXNWHRSA-N	230.117	-0.199	50	10	BBGE	
C[C@@H](CN1CC[C@@H](N(C)C)C1)C(=O)NN	223094132	ZHVUMVDEFFYVPX-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
COC[C@H](S[C@H](C)CCO)C(=O)NN	232421671	OKAYNGQTTBSWIA-RQJHMYQMSA-N	222.310	-0.505	50	10	BBGE	
CCOC(=O)NNC(=O)CNC1CC1	236905591	VEZBXKCXGSAZHG-UHFFFAOYSA-N	201.226	-0.484	50	10	BBGE	
CCOC(=O)NNc1nonc1NC=O	238277663	OMQRKEWQALZZPX-UHFFFAOYSA-N	215.169	-0.289	50	10	BBGE	
NNC(=O)c1ccc(CSCC(N)=O)o1	300792805	HRBSTWXRWSNONT-UHFFFAOYSA-N	229.261	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCOCC2)C1	304360305	HWDOLWYZBGSREB-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1C[C@@H](C)O	306108639	SMSMOUJOACRKQO-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CO[C@@]1(C)CCN([C@H](C)C(=O)NN)C1	306370288	GIQSBLJYCRVVEM-APPZFPTMSA-N	201.270	-0.524	50	10	BBGE	
COC1(C)CN(Cc2cc(B(O)O)ccc2C)C1	313760802	NPMNODOFCJEFSX-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
COC1(C)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	382610294	ZPSNBHNVZUWGJZ-DTWKUNHWSA-N	243.307	-0.755	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](SC)C1	382865146	BPDFOOAMHHTZFN-YUMQZZPRSA-N	233.337	-0.571	50	10	BBGE	
NNC(=O)CCCCCN1CC(O)C1	384164462	SEAWONYFCLNYEU-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
Nc1csc2c(B(O)O)ccc(C=O)c12	396260360	USYLLOVYMLZISD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[S@@](=O)N(C)Cc1csc(B(O)O)c1	404926743	PNKPOIYXGSGYAD-OAHLLOKOSA-N	247.150	-0.457	50	10	BBGE	
O=C(CCC1CC1)Nc1ccnc(B(O)O)c1	405011192	QCCGRRBOOCGFNO-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CSc1c(O)ccc(F)c1B(O)O	575705868	POMFETPDQOONRS-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@H]1N(C)C	693630053	MHYNDLFGPNDOEW-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](CCl)NC(=O)c1nnn(C)n1	697200787	KWJJDNPBCNQSQC-BYPYZUCNSA-N	203.633	-0.433	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C[C@H](O)CCl	698121146	YLUVFVWFTJWUKH-DJLDLDEBSA-N	223.700	-0.596	50	10	BBGE	
O=C(NCB(O)O)C1CCSCC1	702030001	LXVPSRYNBIPNNF-UHFFFAOYSA-N	203.072	-0.742	50	10	BBGE	
NNC(=O)c1occc1CN1C(=O)COC1=O	709009991	CKNPWWDBNPHADR-UHFFFAOYSA-N	239.187	-0.638	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724816381	NFFDZPDJRLXKPW-YIZRAAEISA-N	213.281	-0.524	50	10	BBGE	
C[N+]1=NC(=O)[C@@H](N[C@H]2NN=C(CCl)O2)C1	725547857	PNVMYQFVGCDLNA-FFWSUHOLSA-O	232.651	-0.965	50	10	BBGE	
C[N+]1=C(N[S@@+]([O])(=O)CCCl)N=CC1	725583749	SNJPBMGLPYTEQY-UHFFFAOYSA-O	224.693	-0.343	50	10	BBGE	
COCCN(C)NC(=O)C1(C(=O)N(C)C)CC1	816560804	AVDRGPWVMVNNEU-UHFFFAOYSA-N	243.307	-0.536	50	10	BBGE	
CCNC(=O)NNC(=O)C1(OC)CC1	843775243	RTQIUKSFXZGIQV-UHFFFAOYSA-N	201.226	-0.484	50	10	BBGE	
CNC(=O)NNC(=O)C(=O)c1cccn1C	1136379060	SVZCGOCUEFQTKO-UHFFFAOYSA-N	224.220	-0.832	50	10	BBGE	
CNC(=O)NNC(=O)/C(C#N)=C/c1cnn(C)c1	1292010355	JXMRCKMCXGEBCH-FPYGCLRLSA-N	248.246	-0.713	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C/c1cnccn1	1324684081	MNXNYRHXOKASPM-ONEGZZNKSA-N	235.247	-0.208	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1556054903	UIVIJKIGXBNDCW-ZETCQYMHSA-N	224.220	-0.974	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)c1ccnnc1	1557069243	GGZZTHOMOWXZQB-UHFFFAOYSA-N	230.174	-0.107	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H](CC(N)=O)C(=O)O	1859450405	XGJOQQMNKCIURD-DMTCNVIQSA-N	222.628	-0.942	50	10	BBGE	
CSSCCNC(=O)[C@H](O)CN	1880597616	JUPHPJZJAIGMRH-RXMQYKEDSA-N	210.324	-0.567	50	10	BBGE	
O=C(CBr)N1CCC1(CO)CO	1881269626	BSLIWVMBXPNJAO-UHFFFAOYSA-N	238.081	-0.663	50	10	BBGE	
C[C@H](Cl)CC(=O)NCC(CO)CO	1882210680	UTCGAFIUYRPZPM-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
CS(=O)(=O)CCOC[C@H](Cl)C(=O)O	1882959209	XILSWEJIHWFZIX-YFKPBYRVSA-N	230.669	-0.260	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@@H]1C[C@@H]1Cl	1883639277	LGYBFOWBIWMZTQ-DMTCNVIQSA-N	201.617	-0.557	50	10	BBGE	
CC[C@H](CN(C)[C@@H](C)C(=O)NN)OC	1887657059	JZCGJXQFDKSNPL-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
O=C1NCCN(C[C@H](O)CCl)C12CC2	1887670972	XGEOTEQUFDVGAS-SSDOTTSWSA-N	218.684	-0.450	50	10	BBGE	
C#CCNC(=O)CNC(=O)C[C@@H](C)Cl	1887693679	KBPAAYMNTJMTQG-SSDOTTSWSA-N	216.668	-0.131	50	10	BBGE	
CN(C)CC1(O)CN(S(=O)(=O)CCl)C1	1892488471	ICDAYHWZLFLCER-UHFFFAOYSA-N	242.728	-0.879	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)C1(CO)CNC1	1893129300	UJGSLWXFLZWXMN-RNFRBKRXSA-N	218.684	-0.688	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)/C=C/C(=O)Cl)C[C@H]1O	1897226943	MZSSRIBSTSIATI-RQLPFYMCSA-N	247.678	-0.038	50	10	BBGE	
OB(O)c1ccc(F)cc1OC[C@H]1CCO1	1901307510	RTDGKNGRSDNAEE-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2CCCO2)C1	1902521419	GYWVKYZQMGNGQK-WPRPVWTQSA-N	227.069	-0.369	50	10	BBGE	
CCOCCOCCN1CC[C@@H](B(O)O)C1	1902528916	KIKBFHGRQQSDCY-SNVBAGLBSA-N	231.101	-0.412	50	10	BBGE	
C#C[C@H](C)N(C)c1cc(B(O)O)c(F)cn1	1903005582	ITFQCNKQXXIMPZ-ZETCQYMHSA-N	222.028	-0.642	50	10	BBGE	
CC[C@@H](CN)Nc1cc(B(O)O)c(F)cn1	1903009322	FEHYGQRIBWFTJC-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
CN(C(C)(C)C(N)=O)S(=O)(=O)CCCl	1915507079	QBXRRMQVHFKIBF-UHFFFAOYSA-N	242.728	-0.249	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1C[C@H]1C(=O)NN	1927913537	KFLOUCPNPCDNFU-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927914774	XXPRWDKBFOPJMY-XKSSXDPKSA-N	213.281	-0.931	50	10	BBGE	
CN1CC(CCN2CC(=O)OC(=O)C2)C1	1928059928	UOAJPQWVHFZTAW-UHFFFAOYSA-N	212.249	-0.677	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(CO)C1	1929743850	VIBDPRVZYXANRQ-VIFPVBQESA-N	215.297	-0.685	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C(=O)NN)S1	1931563411	DPTOFCRBNBBBRY-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
CC(C)CN(CCO)CCC(=O)NN	1933486667	BCZGIIQVDYOSFA-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
O=C1CN([C@H]2C[C@@H]3CC[C@H]2O3)CC(=O)O1	1935284877	QEEMIVPPECUFAR-BIIVOSGPSA-N	211.217	-0.308	50	10	BBGE	
NNC(=O)CCN1CC[C@H]1C1CCOCC1	1936636512	FAPUSPOOXZVYDS-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CN(CC(F)(F)CO)CC1(C(=O)NN)CC1	1938249070	PEEATJSYYMCPBW-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	1939034653	XUXNOBUVKRFNPX-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)C[C@H]1C	1939637810	JTHZMWKFIGYMLH-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CC(C)(CN1CCCNC(=O)CC1)C(=O)NN	1941631347	PIPHCGGNTCVDRB-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1C(C)=O	1941988383	IIJDNTKMXPBIMY-JTQLQIEISA-N	241.291	-0.403	50	10	BBGE	
Cc1cc2n(n1)CCN(CCCC(=O)NN)C2	1942325826	MUHFMYXLRQIJBV-UHFFFAOYSA-N	237.307	-0.223	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCn1ccnc1	1944474476	ALQPRWCBEHYTJP-NXEZZACHSA-N	239.323	-0.171	50	10	BBGE	
C[C@H](CC(N)=O)N(C)CCCCCC(=O)NN	1946077280	ZTDFCSXLSYBMRJ-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H](O)C[C@H]1O	1954819844	XYIYFUUBRRYMTE-VWDOSNQTSA-N	207.657	-0.386	50	10	BBGE	
NNC(=O)C1(CN2CC(CF)C2)CC1	1955351399	LRZMHSWKUINULI-UHFFFAOYSA-N	201.245	-0.342	50	10	BBGE	
NNC(=O)N1CCC[C@H](OCCO)C1	1956761021	IHQNHKAAPJDNQV-ZETCQYMHSA-N	203.242	-0.957	50	10	BBGE	
Cc1ccnc(N(C)CCF)c1B(O)O	1961689698	BZYJECLFOIXABX-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
CCc1nccn1-c1nc(B(O)O)cs1	1961710008	HFAIOSBEWOIONU-UHFFFAOYSA-N	223.066	-0.429	50	10	BBGE	
CCO[C@H]1CC[C@H](C(=O)NCB(O)O)C1	1962367408	NBJQFLXZADXZBW-YUMQZZPRSA-N	215.058	-0.680	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCOC[C@H]1C(N)=O	1962376746	NHAWJMWOVVTNLO-BQBZGAKWSA-N	234.683	-0.284	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1975152968	RLGTZXVAQUUJLG-RYPBNFRJSA-N	213.281	-0.790	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1ncno1	1976746416	TWGQUIYWVXFVNT-UHFFFAOYSA-N	227.268	-0.338	50	10	BBGE	
C[S@@](=O)(=NC(=O)C(=O)NN)N1CCCCC1	1979780750	RESJZFXZJHFYOO-MRXNPFEDSA-N	248.308	-0.998	50	10	BBGE	
NNC(=O)CN1CCC[C@H]([C@H]2CCCO2)C1	1981082216	HZVZPNWPYJLFRI-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@H]3C2)nc1	1981415917	JVVHLYCONFOOGW-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
CC[C@@H]1CN(c2nc(B(O)O)cs2)CCO1	1981471900	MIXHWDPNKFUHRP-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
Cc1ccnc(N(C)[C@H]2C[C@H]2C)c1B(O)O	1981529407	CYHUQKCQLPKJHK-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
CO[C@@H](C)COCc1nc(C(=O)NN)co1	1986052284	SKJMWNDXJZJNPZ-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H]1COC2	1990774778	NFKKVDPTVPVNAA-IUCAKERBSA-N	227.264	-0.983	50	10	BBGE	
OC[C@H](O)CN1CCN(C[C@@H]2C[C@@H]2Cl)CC1	1991451368	KJNDUXXESKQMEM-AXFHLTTASA-N	248.754	-0.416	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCO[C@H]1CCNC1	1991650318	MOZYWGXMFMPPNX-QMMMGPOBSA-N	246.694	-0.197	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1991674972	KHSBAAWYTQAPNG-TYKPCOJTSA-N	245.706	-0.044	50	10	BBGE	
CCn1nnc(CN[C@H](CCl)CN(C)C)n1	1992009282	QKBUJNSYWCIWFS-MRVPVSSYSA-N	246.746	-0.048	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)C12CCC2	1993529624	XJFAGXAIOBVVJG-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H]2CC[C@H]2O)[nH]1	1994680264	UOJVBJQACUHGAZ-PHDIDXHHSA-N	243.698	-0.372	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CC(C)(C)C(=O)NN	1997866424	RAFHFEYWTNRJTR-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCN(C)C[C@H]1C)C(=O)NN	2003938483	LXCTZHWANHCWCX-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)CC1(F)F	2004912385	SFBMEJRMPQQLJE-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C[C@H]1F	2004919075	UFZNTRJMSULSLS-VXNVDRBHSA-N	239.059	-0.659	50	10	BBGE	
Cc1nc(N(C)C2CCCC2)ncc1B(O)O	2004974954	RQHNNRMCYDPTDF-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CCOC(=O)NCCc1cccc(B(O)O)c1	2008786770	ZSIMVTDDELBWDK-UHFFFAOYSA-N	237.064	-0.345	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C[C@@H]1C[C@@H]1C(=O)NN	2009201487	GKLPFFMHGFYCRX-XKNYDFJKSA-N	245.298	-0.329	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@H]2F)ccc1B(O)O	2014735667	QAFQJNUQDUIWHB-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCNC(=O)C12CC2	2014888328	JWRLJELGIKTCNZ-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	2017624098	VNZDJPXXJPZVGL-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2CCO[C@@H]2C1	2019176456	IHRDZYJZFSBNOW-VHSXEESVSA-N	241.291	-0.736	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2(F)CC2)n1	2025750984	FFXQHRWGXUQUBI-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(C2COC2)cc1	2026331659	OSFJKZZOFPCVQB-UHFFFAOYSA-N	235.243	-0.271	50	10	BBGE	
NNC(=O)C1(COc2ccc(C(N)=O)cc2)CC1	2033726245	HKZSKCHQEOPCQK-UHFFFAOYSA-N	249.270	-0.066	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@]12CC[C@@H]1C2	2039756969	YIUUHSZNYFDQAN-ZWNOBZJWSA-N	245.087	-0.217	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2CCO[C@H]2C1	2052032935	GGKALNBBGBBDRN-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
CN1CCCN(c2ncccc2B(O)O)CCC1	2052494538	NLQJWBBOKKNSKU-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CC(C2CC2)C1	2058156822	UHWHYQLXZUEQNW-UHFFFAOYSA-N	247.103	-0.036	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(B(O)O)c1C=O	2060034478	NNTSFIWSJNEJBF-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@@H]32)nc1	2066310409	RVUXNXSBPZRFKD-ONGXEEELSA-N	248.286	-0.484	50	10	BBGE	
Cc1cc(=NC(=O)c2ccccc2B(O)O)[nH]o1	2079008367	ISEKSPJXPXTMRN-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2087008982	NDCWLRGNHYVNRQ-MMCIIUSJSA-N	249.314	-0.404	50	10	BBGE	
CCOCCCSc1ncc(B(O)O)cn1	2211194856	OLEKYEIXMMKOCY-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
Cn1cnnc1SC[C@H]1CC[C@H]1C(=O)NN	2211839693	XZBGESSNFLSDKS-RNFRBKRXSA-N	241.320	-0.077	50	10	BBGE	
C[C@H]1CSC[C@@H]1Nc1ncccc1B(O)O	2212601381	NGLXBIDKARBLNF-CBAPKCEASA-N	238.121	-0.075	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@H](C)C(=O)NN	2212607319	JTHNPEUEWKOZER-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H](CF)C2)nc1	2212610666	MRYGPKAFRJLJOT-WRXNHJIOSA-N	225.032	-0.684	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(O)(C(F)F)C1	2215777573	TXVASDPXJPAQLB-RQJHMYQMSA-N	249.261	-0.686	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccco2)[nH]c1	2217178867	BTDILUNFIZNKMY-UHFFFAOYSA-N	232.048	-0.569	50	10	BBGE	
N[C@@H]1CCC[C@H]1COc1ncccc1B(O)O	2217186932	QNDJHHRWHHDYIL-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
CCOCCN(CC)c1cc(B(O)O)ccn1	2217194786	CNYJRJOWLRVEES-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
C=CCC[C@H](CO)Nc1ccc(B(O)O)cn1	2217202128	HZZGAYPVXOOTHY-SNVBAGLBSA-N	236.080	-0.500	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)C[C@@H]2NCC[C@H]21	2223618457	AFNFKCRNPDWCSH-QRTLGDNMSA-N	248.091	-0.719	50	10	BBGE	
C#CC[C@H](CN=c1ncc(B(O)O)c[nH]1)C1CC1	2223627969	ONIYHFKZVLAKFI-SNVBAGLBSA-N	245.091	-0.960	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC3(CC3)CO2)c1	2223669741	NWXKTPKTCXBTPB-JTQLQIEISA-N	248.091	-0.258	50	10	BBGE	
CC[C@H]1CNCC[C@H]1Nc1cc(B(O)O)ccn1	2223671670	PEXUHJUSFUIJJB-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)c1ncc(B(O)O)cn1	2223679287	NOXXGPWAZJDWCO-LLVKDONJSA-N	245.091	-0.606	50	10	BBGE	
C[C@@H](CO)CNS(=O)(=O)N1CC(Cl)C1	2241354246	UXUUTCANYUPCTM-ZCFIWIBFSA-N	242.728	-0.628	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2242811734	XYPISIMPWQKSAJ-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=CCC1	2243361628	DWGGOPDHOPYUIF-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C[C@@H]1OCCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243365842	SXQAYUFSVHGCOU-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
C[C@]1(CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243373488	QNHHUCHGQJAZSU-KHQFGBGNSA-N	227.069	-0.777	50	10	BBGE	
CN(Cc1cocn1)C(=O)[C@H]1C[C@H]1B(O)O	2243391364	JVYZFMNGCGXOKC-JGVFFNPUSA-N	224.025	-0.504	50	10	BBGE	
Cc1cc(=NC(=O)C2(B(O)O)CCC2)[nH][nH]1	2243409848	PXDNJVCEVWNFTQ-UHFFFAOYSA-N	223.041	-0.524	50	10	BBGE	
CC(C)N1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243414950	LFSAQYPQNMFEIM-DTWKUNHWSA-N	226.085	-0.942	50	10	BBGE	
O=C(NC[C@H](O)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2243426945	OBCIKMWOSYDWPZ-YIZRAAEISA-N	227.069	-0.874	50	10	BBGE	
O=C(NCCCC1(O)CC1)C1(B(O)O)CC1	2244112792	GZZNEWINADQYDX-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)CF)cc1B(O)O	2244125092	KBAHTHAAMXNXMR-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
CNC(=O)NCc1ccc(B(O)O)c(C)c1	2245271209	KOFMKQYKTBMMJR-UHFFFAOYSA-N	222.053	-0.896	50	10	BBGE	
NN=c1cc(C(=O)N[C@H]2C[C@H](Cl)C2)cn[nH]1	2245321438	QEFXQPRSLZIEFF-LJGSYFOKSA-N	241.682	-0.316	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccncc2B(O)O)[C@H]1C	2247721588	GKWONZBYGCKPFM-BQBZGAKWSA-N	234.064	-0.854	50	10	BBGE	
C[C@H](CNC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247738661	UBLPJCDNIUHQSD-RXMQYKEDSA-N	246.022	-0.675	50	10	BBGE	
CCCOCCNC(=O)c1ccoc1B(O)O	2247739864	CBKGVLJWKUSCAS-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
CO[C@@H](CNC(=O)C#CB(O)O)C1CCCC1	2247740389	JTERSTDHTNJHRU-JTQLQIEISA-N	239.080	-0.677	50	10	BBGE	
O=C(C#CB(O)O)NCC1(C(F)(F)F)CCC1	2247746776	DHWHRTQFYGJFEW-UHFFFAOYSA-N	248.997	-0.149	50	10	BBGE	
O=C(C#CB(O)O)NCC(F)(F)C1CCCC1	2247747061	ILVDVUHDVKKQJE-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247782635	WHANFTUUFHYVKZ-ZETCQYMHSA-N	237.068	-0.992	50	10	BBGE	
COC[C@@]1(C)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787516	QCCULZFKBNFYEN-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@]1(F)C[C@@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2247793729	ZNXBQBQFQZIQKR-ODXREFDESA-N	245.059	-0.924	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247800844	UJFNQICUCPNZSH-GUBZILKMSA-N	241.096	-0.460	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1CO	2247806866	GQYROEDDTIZUGC-FMLYDFSMSA-N	241.096	-0.674	50	10	BBGE	
CN(C)CCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809089	NQZNUUHQDHUTFL-MGCOHNPYSA-N	242.128	-0.351	50	10	BBGE	
CC1(N)CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247854600	FNXQVSHMRNJQRS-QMFGVRBNSA-N	240.112	-0.375	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247860673	ZROOWVQVZHRSJB-SEZDTBSWSA-N	243.112	-0.239	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]2C)n1	2247871893	JADUVVYMFGZJTG-MRVPVSSYSA-N	234.064	-0.696	50	10	BBGE	
C#C[C@@]1(C)COCCN1C(=O)C1(B(O)O)CC1	2247872593	VQCMHRFVDSFNIP-JTQLQIEISA-N	237.064	-0.756	50	10	BBGE	
CC#CCNC(=O)c1c(F)cccc1B(O)O	2247875647	ZWQXZIPBHKIILX-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
O=C(NCCN1CC=CCC1)[C@@H]1C[C@@H]1B(O)O	2247893955	AQKFBYLECSVRBX-ZJUUUORDSA-N	238.096	-0.773	50	10	BBGE	
COCC[C@H](COC)NC(=O)[C@H]1C[C@@H]1B(O)O	2247894736	KHCPBIHWXIEGQX-VGMNWLOBSA-N	245.084	-0.983	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248585060	FXABQQZTFGWYDL-RNJXMRFFSA-N	241.052	-0.828	50	10	BBGE	
O=C(NCC1CC(F)C1)c1cc(B(O)O)co1	2249434154	WDHJBKAPCKGSBC-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
CC(C)C1(Oc2cc(B(O)O)ccn2)COC1	2250820161	NHHSGOBOMJOCOE-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
Cc1cccc(C(=O)NCB(O)O)c1C(=O)O	2251301310	ZZOBSZPOMYGIAS-UHFFFAOYSA-N	237.020	-0.565	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(OC)ccc1B(O)O	2255505299	LRXVNCRWLFFBJJ-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
C#CCCCN(C)C(=O)c1cc(B(O)O)cn1C	2255507770	DGAWRPPRLFQBRU-UHFFFAOYSA-N	248.091	-0.810	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@@H]2C[C@@H]21	2255511658	NAVMZGSLEIPRNC-KOLCDFICSA-N	245.087	-0.091	50	10	BBGE	
CC1(CCNC(=O)c2ccc(B(O)O)cn2)CC1	2255517200	UDZZRDRVECWKOZ-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1ncccc1B(O)O	2255518390	KFGFWPOZNFPIOZ-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2ccnc2)C1)[C@@H]1C[C@H]1B(O)O	2255568441	MMMNGZPCZRODIK-UTINFBMNSA-N	249.079	-0.434	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1c[nH]nc1B(O)O	2255583781	RAOUYALKJUZGMW-IONNQARKSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2255673174	OHFXPBZTYKTWOW-SZEHBUNVSA-N	248.091	-0.387	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255710029	FKWLKNQNVFDPFN-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
CC1(C)CN(C(=O)c2cc(B(O)O)ccc2O)C1	2256017304	QWTLGIIXDDWQNI-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
CC[C@@H](NC(=O)c1nccnc1B(O)O)C1CC1	2256067463	PNPQTSQPXTZQET-MRVPVSSYSA-N	249.079	-0.925	50	10	BBGE	
O=C(Nc1cccnc1F)c1cocc1B(O)O	2258121176	LTDQMCZCJFXRSS-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1cc(B(O)O)co1	2258127073	YERLRSCBINEARF-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
O=C(Cc1ccccc1F)NCCC#CB(O)O	2258962265	DYDVZJNAZDIDOV-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2298004244	BNPUASWUJKHLHO-XNDJQWLSSA-N	241.335	-0.010	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370813	NJBGGXHVCFBDQL-DZEUPHNYSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)C2(CC2)C1	2298376235	NYMGIHRMGXFBMT-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@]2(CCOC2)C1	2298376907	WNBCHTJBIBXGIY-NGZCFLSTSA-N	239.080	-0.512	50	10	BBGE	
C#CC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2298377182	HHGWDXZAZSYEDQ-LPEHRKFASA-N	237.064	-0.900	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ccncn2)C1	2303110018	WVLMJMRFZOVVMW-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
Cc1nnc(CN2CC[C@@](C)(B(O)O)C2)n1C	2303124335	QJMCZHXEUSFXRC-SNVBAGLBSA-N	238.100	-0.438	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	2303420023	NHFIAQVXZIWMHU-JLLWLGSASA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1[C@H](Nc2cc(B(O)O)c(F)cn2)C1(F)F	2303835408	WTGNJHBDCQLDFI-NVNXEXLPSA-N	245.997	-0.034	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@@H]3CCCO[C@@H]32)nc1	2312612228	JYWIGRCLNGJTJZ-NHCYSSNCSA-N	248.091	-0.402	50	10	BBGE	
CC[C@H](Oc1ccc(B(O)O)cc1C#N)[C@H](C)N	2317209760	VKXXMYPPMXLRHO-KWQFWETISA-N	248.091	-0.257	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)c1cccc(B(O)O)c1	2318632764	WKGNRCSSUYXRKC-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@@H]2C2CC2)[nH]c1	2319644880	WFPANWPFLXHLHL-MWLCHTKSSA-N	247.107	-0.574	50	10	BBGE	
CN(Cc1ccccn1)C(=O)C(=O)NN	36778469	BDFFFBJAYMEFNN-UHFFFAOYSA-N	208.221	-0.970	50	10	BBGE	
CC(=O)NNC(=O)CSc1cccc[n+]1[O-]	44508034	NRLSYYDHRDEGIN-UHFFFAOYSA-N	241.272	-0.421	50	10	BBGE	
CCNC(=O)[C@H](C)NC(=O)NC(=O)[C@H](C)Cl	49230936	IWPJNJJIWOSNIR-WDSKDSINSA-N	249.698	-0.036	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H](C)NC(N)=O	66791097	ZURJMPUPJYTWKF-SSDOTTSWSA-N	244.295	-0.373	50	10	BBGE	
Cc1ccn(C[C@@H]2CC[C@@H](C(=O)NN)O2)n1	70687555	XFGNXPAFGWBQSP-IUCAKERBSA-N	224.264	-0.271	50	10	BBGE	
N=C(N)c1ccccc1-n1ccnc1C(=O)NN	75848656	GJYLCURSIGCOCP-UHFFFAOYSA-N	244.258	-0.240	50	10	BBGE	
CCCN(CC(=O)NC)C[C@@H](C)C(=O)NN	82470271	LBWOEPPEYBBHPF-MRVPVSSYSA-N	230.312	-0.930	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCNCC1	82470930	XVELAGGPDJHWSU-SSDOTTSWSA-N	200.286	-0.951	50	10	BBGE	
CC[C@H](Sc1n[nH]c(=O)n1CC)C(=O)NN	82472676	AOIBIPUMNXXLAT-YFKPBYRVSA-N	245.308	-0.548	50	10	BBGE	
Cc1nnc(SCC(=O)NN)n1C	82472781	AZKHKBTXWFZPSQ-UHFFFAOYSA-N	201.255	-0.794	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCC(=O)NC1	82516164	WGXWZHSCUBNDKA-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
O=S(=O)(NCCCl)c1cn[nH]c1	83210543	GXBXKBSLQYRXTL-UHFFFAOYSA-N	209.658	-0.073	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](C(N)=O)C1	93071687	JAHMBFNXMJGKRX-CIUDSAMLSA-N	242.323	-0.802	50	10	BBGE	
CCCN(CC)CCn1cc(C(=O)NN)nn1	110573297	KJJPHDMDNPFCGY-UHFFFAOYSA-N	240.311	-0.387	50	10	BBGE	
C[C@H]1CC(OCC(=O)NN)C[C@H](C)O1	122756817	ZYBCVBFFZASSGN-BQBZGAKWSA-N	202.254	-0.051	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)CCN	144911640	UASJDUQUIVBGKH-UHFFFAOYSA-N	203.242	-0.109	50	10	BBGE	
C[C@H](CN1CCC[C@@](C)(O)C1)C(=O)NN	157536918	LZOZXMJUKLQRRQ-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@@H](N)C[C@@H]2C1	238570997	JQFMQNISVXCKKX-WDSKDSINSA-N	207.189	-0.819	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccccc1O	242648936	RKZZWDNGSPPUSL-UHFFFAOYSA-N	221.216	-0.412	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc2ncoc2c1	259009560	NYOSGKXHIIMCIJ-SSDOTTSWSA-N	220.232	-0.313	50	10	BBGE	
CCCNC(=O)CS[C@@H](C)C(=O)NN	300921260	YSOZUNGJVQYCEP-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
Nc1ccc(C(F)(F)F)c(B(O)O)n1	306817137	DNIOMTSXQKJFJA-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
C[C@H](CN1CC[C@@H](N(C)C)[C@H]1C)C(=O)NN	309753693	BLKAVWXQODALFK-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(CCCCC(=O)NN)C1	310104251	CKBNYUDHIWXFFZ-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[S@@](=O)CC1	321904706	QURQMMFPHDBXMD-JDNHERCYSA-N	247.364	-0.401	50	10	BBGE	
CN1CC(CN=c2[nH]c(CCl)nc(=N)[nH]2)C1	379439420	NPIPHFXWWAMLAG-UHFFFAOYSA-N	242.714	-0.582	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCSC[C@H]1CO	388088029	CODHNUPPDBOILK-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C1(C)C	393788253	ZTNWEYACIDAWPA-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
CCOCCCN(C)[C@H](C)C(=O)NN	394961970	SZOGRNDHWUWZCO-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)CC1=O	395701581	IDJFRYIDYPLEGJ-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
O=C(CCCl)c1ccc(B(O)O)c(CO)c1	396037748	FWXSSZCGRORWFI-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
CSSCCNC[C@@H](N)C(N)=O	397808398	XXNHIFYIYWJYTD-RXMQYKEDSA-N	209.340	-0.600	50	10	BBGE	
CCCC(=O)Nc1cccc(B(O)O)n1	405033404	RVZAMIUIEIUNRL-UHFFFAOYSA-N	208.026	-0.500	50	10	BBGE	
COC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405130081	FNKAVPCBCUWDEU-ZETCQYMHSA-N	223.037	-0.217	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1	584991995	HRXOHBOWJZEZPD-LLVKDONJSA-N	233.076	-0.009	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2[C@H](C)C(=O)NN	686191485	UTOJFGCVBZEWTH-CHHOWFRJSA-N	227.308	-0.402	50	10	BBGE	
CN1CCN(Cc2nnnn2C)C[C@@H]1CCl	687604861	JHBBBOFOWIPWIY-QMMMGPOBSA-N	244.730	-0.435	50	10	BBGE	
CN(C)C[C@H](O)CN(C)CCCCC(=O)NN	690205409	VYYIGKQICAEOJD-JTQLQIEISA-N	246.355	-0.999	50	10	BBGE	
CN(N)C(=O)c1sccc1-n1cnnn1	704672062	AEUGVSGIBJSUHW-UHFFFAOYSA-N	224.249	-0.331	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@]1(C)CCCO1	755255709	RXIFGFVISWMRJE-VIFPVBQESA-N	215.253	-0.142	50	10	BBGE	
COC[C@H](C)CC(=O)NNC(=O)[C@H]1CCCO1	814342939	OHUSYTMTVJEDOB-RKDXNWHRSA-N	244.291	-0.015	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNS(=O)(=O)C2CC2)O1	863423890	ZNAQDCCHGGRYDM-HTRCEHHLSA-N	248.304	-0.333	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)N(C)C	1348523370	BFIDJVDIXKYSMK-MRVPVSSYSA-N	242.279	-0.700	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2ncccn2)c1	1557072827	QHAILLMMNPGZOC-UHFFFAOYSA-N	245.242	-0.110	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC(=O)NC1CC1	1587335705	YTINIQDUHVUSQP-FPLPWBNLSA-N	237.259	-0.175	50	10	BBGE	
CC(=O)NNC(=O)Cc1noc(C)c1C#N	1587581687	IOUCSLBYJDVLCC-UHFFFAOYSA-N	222.204	-0.436	50	10	BBGE	
O=C(NNc1ncccn1)c1cnn(CCO)c1	1624134777	NOCFQFQBDFUVSE-UHFFFAOYSA-N	248.246	-0.578	50	10	BBGE	
O=C(CC1(O)CCC1)NNC(=O)c1ncon1	1639764435	APWLEERWHALZPI-UHFFFAOYSA-N	240.219	-0.864	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1C[C@H]1Cl	1877393580	IAPORFVSXXTIBI-OOJXKGFFSA-N	218.684	-0.154	50	10	BBGE	
COC[C@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883549761	CGGTVXFJGUZZDE-VQVTYTSYSA-N	206.673	-0.296	50	10	BBGE	
O=C(N[C@H](CO)C(=O)O)[C@@H]1C[C@H]1Cl	1883634398	JTCWAXVWZOFQJO-UOWFLXDJSA-N	207.613	-0.825	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1C[C@@H]1C(=O)NN	1886080191	YBDCGXONIWCWDG-FXQIFTODSA-N	202.254	-0.336	50	10	BBGE	
O=C(O)[C@H](CCO)NC(=O)[C@@H]1C[C@H]1Cl	1893475066	PKLMFHJMGVZVPH-PBXRRBTRSA-N	221.640	-0.435	50	10	BBGE	
COc1ccc(B(O)O)c(C(N)=S)c1	1893646997	PPCCHQYBNCNSOD-UHFFFAOYSA-N	211.051	-0.991	50	10	BBGE	
C[C@@]12CN(CCCC(=O)NN)C[C@]1(CO)C2	1894667669	XHZKAJMVKHVBAP-MNOVXSKESA-N	227.308	-0.539	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2C[C@@H]2CO1	1895771373	ZGHLCZOWGIRHTR-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1C[C@H]1COc1nc(B(O)O)cs1	1898740094	OFTAUJABTXJORW-WDSKDSINSA-N	213.067	-0.142	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)CS1(=O)=O	1901036660	OZTPGQSPRYMEAL-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1ccc(COC[C@@H]2CCO2)cc1	1901306822	GQUIXGLTWMPZPG-NSHDSACASA-N	222.049	-0.328	50	10	BBGE	
OB(O)c1cc(=NCCC2CC2)[nH]cc1F	1903005928	MTLQLXVDLSKWQW-UHFFFAOYSA-N	224.044	-0.466	50	10	BBGE	
O=C(C[C@@H]1CCNC1)NNC(=O)C(F)(F)F	1923401838	HTCQHFKMPNGWPE-YFKPBYRVSA-N	239.197	-0.304	50	10	BBGE	
Cc1cn(CCOCC(=O)NN)c(C)n1	1928179511	QPIXXJTYRBJQFF-UHFFFAOYSA-N	212.253	-0.494	50	10	BBGE	
CC[C@H]1OCC[C@@H]1C(=O)NNCCO	1929834842	IZABPYDRPWHZAW-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
Cc1nc(=N[C@H]2COC[C@@H]2Cl)n(C)[nH]1	1930283939	VHVOAYZSPKUUFY-BQBZGAKWSA-N	216.672	-0.036	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1930373830	OKQOKKLNZPUYKG-SCZZXKLOSA-N	214.313	-0.609	50	10	BBGE	
C[C@H]1CCO[C@H]1CN1CC(=O)OC(=O)C1	1932191890	ZLSDRVWZMDCPGD-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
Cn1c(O)nc(N[C@H]2COC[C@@H]2Cl)cc1=O	1935980803	NQBSGQVJOPKNLJ-WDSKDSINSA-N	245.666	-0.096	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1	1936087102	YLGKIXUKWDYKDC-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](C2CC2)CC1	1936186551	UWKRZTVBSPPFBR-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CN1CC2(CC=CCO2)C1)C(=O)NN	1938348509	VHTWPDWJMODBTO-VIFPVBQESA-N	225.292	-0.357	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@@H]1COCCO1	1940286439	CQJSMIBAWVPCEO-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H]2CCC[C@H]21	1940887344	KPWAFGZCRGOCDL-SFYZADRCSA-N	249.261	-0.135	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)CC[C@H]1O	1945882787	MYZJXBDIIKPUBB-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1C2CCC1([C@@H](C)O)CC2)C(=O)NN	1947845402	NJKKXRRRKBGCGT-XTQFYOIMSA-N	241.335	-0.010	50	10	BBGE	
CC(C)(CN1C[C@@H](O)CC12CCC2)C(=O)NN	1949815877	ARDRMHYOHVWLPE-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
N#C[C@H](O)[C@@H](N)COc1ccccc1O	1952987779	RQBAHXUVQGGMJJ-CBAPKCEASA-N	208.217	-0.017	50	10	BBGE	
CO[C@H]1CC(F)(F)CC[C@]1(N)B(O)O	1955786016	SGRGEHQCCAMDMG-CAHLUQPWSA-N	209.001	-0.470	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@H]1CC(=O)NC1=O	1956859756	ZXMRJJPUBPSWPV-WDSKDSINSA-N	215.640	-0.536	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NN)C[C@H]1C	1957358519	IOYIXSYXIJMCET-SFYZADRCSA-N	201.270	-0.809	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C[C@@H](C)C(=O)NN	1958270160	QLEREBXVCVVVCV-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOCC2(CC2)C1	1961434755	SJRNGYLYEQQSIW-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(CCO)C(=O)C1	1961462877	LQKSADMMUAFUAH-MRVPVSSYSA-N	231.683	-0.746	50	10	BBGE	
CC1(C)C[C@@H](CO)CN(CC(=O)NN)C1	1961684621	QUKLUYUVUCERKI-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ncc(B(O)O)cn1	1961778940	RJOKTAOGDYJMLL-POYBYMJQSA-N	207.042	-0.999	50	10	BBGE	
O=C1CCC2(CN(C(=O)CCl)C2)N1	1973651272	VWDXCVJVODXXDU-UHFFFAOYSA-N	202.641	-0.284	50	10	BBGE	
C[C@@H](CN1CC(F)(F)C[C@@H]1CO)C(=O)NN	1976198838	XSGBWCRRCXXLTA-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
CCC[C@@H](C)N(C)c1ncc(B(O)O)cn1	1981408690	DHBNGBKVWWASSJ-MRVPVSSYSA-N	223.085	-0.219	50	10	BBGE	
C[C@]1(C(F)F)CC(=O)N(CCC(=O)NN)C1	1982227878	FSPDEDGFGRFJQE-VIFPVBQESA-N	235.234	-0.130	50	10	BBGE	
CO[C@H](C)CCN(C)C[C@H]1C[C@@H]1C(=O)NN	1984689533	YONAPTWQCRKQAJ-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCOC[C@H]1F	1987226764	ZCFJPRNVBMEATB-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)C1CSC1	1988002409	XEGCVZOBBXACKK-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]12CCOC2	1990774534	KENXYWSPSPDVMB-SNVBAGLBSA-N	227.264	-0.982	50	10	BBGE	
C=C(CN(C)C[C@H]1CCCN(C)C1)B(O)O	1992152655	HIQBWVRLLRNYIU-NSHDSACASA-N	226.129	-0.172	50	10	BBGE	
CC(C)(C(=O)NCC#CB(O)O)C(F)(F)F	1992153336	NUBGZSIQBSTIBV-UHFFFAOYSA-N	236.986	-0.294	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2COC[C@@H]2Cl)COCCO1	1992638590	MISQYBKKBWGMSU-OYNCUSHFSA-N	249.694	-0.086	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H]3C[C@H]2[C@H]3CCl)n1	1993989499	PSNQVECMUZQBRQ-VQVTYTSYSA-N	241.682	-0.091	50	10	BBGE	
CCCC[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998132757	JQICZBQNCBJPHM-YUMQZZPRSA-N	245.084	-0.145	50	10	BBGE	
NNC(=O)CN1CCO[C@H]([C@H]2CCCOC2)C1	2004402094	MKHCGLLTUZRITN-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1CC1(C(=O)NN)CC1	2004910774	ZAIPZVATGLXFLL-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](C)CN(C)c1ncncc1B(O)O	2004921455	WGMSFXKQEUZMKD-VIFPVBQESA-N	237.112	-0.115	50	10	BBGE	
OB(O)c1cnc2c(N3CCC3)ccnc2c1	2005014883	SARGWWYHQUCXIJ-UHFFFAOYSA-N	229.048	-0.480	50	10	BBGE	
CN(CCOCC(=O)NN)C1CC2(COC2)C1	2011119527	HNQXGRNHAZTHAF-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@@H]2CC[C@H]21	2015990492	OPQJVKUFSUDDPP-ILAIQSSSSA-N	239.319	-0.542	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1ccc(B(O)O)cn1	2016811744	GYWNXVCEWZUEJD-RKDXNWHRSA-N	238.071	-0.197	50	10	BBGE	
CCN(C)[C@H]1CCN(CC(=O)NNC(C)=O)C1	2019219738	PVMPWXQLPCVAOV-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
O=C(NCC1CCC1)c1ccccc1B(O)O	2022196772	RKZHQQKXPRRVLM-UHFFFAOYSA-N	233.076	-0.104	50	10	BBGE	
CC1(COCc2ccccc2B(O)O)COC1	2022711601	HMSLOJQKWAWSPR-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
C[C@H](CCC(=O)NN)N1Cc2cncnc2C1	2025620773	CQFYMPCUGMGZIF-MRVPVSSYSA-N	235.291	-0.049	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCc2nnccc2C1	2043020999	ZSGDAVZINLKGBI-SECBINFHSA-N	249.318	-0.007	50	10	BBGE	
CCOc1c(F)cc(B(O)O)cc1OC	2060117256	OQOIAEINOHRUCE-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1c(B(O)O)ccc([N+](=O)[O-])c1F	2060168899	XTVJBRUTJHQEAK-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
OB(O)c1ccc(COCCn2cccn2)cc1	2064610489	RXRHSOQXKAKEDT-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn2nncc2c1	2076082346	SRPIIQDRBRSWKV-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
COc1ccc(C)cc1C(=O)NCC#CB(O)O	2077492574	OPLQXRAYGZDEHA-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
COc1cc(C(C)=O)cc(B(O)O)c1F	2080824609	SOGCKFDQOQRBIU-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
COCCSCc1nscc1B(O)O	2209701257	AIDRZQXNJLGKPG-UHFFFAOYSA-N	233.123	-0.298	50	10	BBGE	
CC(C)[C@@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2211767126	NCBWXWJYQUCFAR-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@@H]32)CCC1	2212263264	TWBLKUXWEZEESS-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
CC(C)[C@H](CO)Sc1ccc(B(O)O)cn1	2212600053	RRYKKNRANDMPAI-VIFPVBQESA-N	241.121	-0.130	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1CSC1	2212616073	ZGKYLCLLQRIOLL-LURJTMIESA-N	239.109	-0.680	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	2215775619	HZUQDXUSWRNNIT-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(N2CCC2)C1	2215777405	SKWPNLVZGIIPEY-ONGXEEELSA-N	238.335	-0.608	50	10	BBGE	
CCC[C@@H](OC[C@@]1(C)COCCO1)C(=O)NN	2216076415	ZUEHQVWCDMIVIV-MWLCHTKSSA-N	246.307	-0.033	50	10	BBGE	
CN(Cc1ncno1)CC1(C(=O)NN)CCC1	2216534824	RWLUXJMQJUXGPE-UHFFFAOYSA-N	239.279	-0.338	50	10	BBGE	
C[C@H](CN)C[C@H](C)Oc1ncccc1B(O)O	2217174863	ZRYFNMSXLOJGPY-IUCAKERBSA-N	238.096	-0.486	50	10	BBGE	
OC[C@@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217177479	JMIAMHIBOZMTGW-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(B(O)O)cn2)CCN1	2217179921	OWGYEVOXTNPFMB-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
N[C@@H]1CC[C@@H](COc2ncccc2B(O)O)C1	2217184119	MWCIVZVILJRHLR-RKDXNWHRSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@@](C)(CO)Nc1ccc(B(O)O)cn1	2217203340	SWKFJHHXWFPGNU-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1NC[C@H](O)C(F)(F)F	2217204703	NOTAXGNZFJBHPS-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
N[C@H]1[C@H]2CC[C@H]1N(Cc1cccc(B(O)O)c1)C2	2220068454	CIBLSIDEFALPIO-UHTWSYAYSA-N	246.119	-0.712	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCCN(CC2)C3)nc1	2223627335	MNSGTCGFFDYQSG-LBPRGKRZSA-N	247.107	-0.588	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ncccc1B(O)O	2223646048	FSEWSYXRBKUNFJ-GISOBZBCSA-N	248.091	-0.734	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2CCCN2)cc1B(O)O	2223651031	UMZJUPZQIBCBGF-SNVBAGLBSA-N	249.123	-0.954	50	10	BBGE	
CN(Cc1nncs1)C[C@@H]1C[C@@H]1C(=O)NN	2243295698	SBICUGOSZVSZPO-BQBZGAKWSA-N	241.320	-0.404	50	10	BBGE	
C[C@@H]1C(NC(=O)c2sccc2B(O)O)[C@H]1C	2243376270	HJENPGRZGGMGIS-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
O=C(NCc1cnc[nH]1)[C@H]1C[C@@H](B(O)O)C1	2243382717	QZBSDFZFVZLJDA-KNVOCYPGSA-N	223.041	-0.721	50	10	BBGE	
C[C@H](CO)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2243396977	TVVIPNFHZMMNNE-XHNCKOQMSA-N	229.085	-0.626	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243397083	VHUIFPCBEVCSFH-GHCJXIJMSA-N	227.069	-0.467	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1=O	2243404314	MINCWSLJPDGYSC-BQBZGAKWSA-N	225.053	-0.366	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1sccc1B(O)O	2243406675	CNURHEONQMPAPN-HTRCEHHLSA-N	239.105	-0.044	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC(F)(F)C1	2243425886	CDQKYZRXEMTUOH-RITPCOANSA-N	234.995	-0.699	50	10	BBGE	
C[C@@H](O)C(=O)Nc1ccc(Cl)c(B(O)O)c1	2243685512	WCQFEKHXEWKVTF-RXMQYKEDSA-N	243.455	-0.661	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2244149141	DGEDQMNICMUWHD-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
CC(C)(C)OCC(=O)NCCC#CB(O)O	2244546229	IUTPUTLYIZDODS-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NCCC#CB(O)O)O1	2244547014	UPHWYIMESQLSBI-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H](C)N(C)C	2246745795	YLCWHBREJSSVKJ-QMMMGPOBSA-N	238.096	-0.601	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CCC1)C(=O)C#CB(O)O	2247747859	UHNHJFCINDJCHZ-MNOVXSKESA-N	235.092	-0.104	50	10	BBGE	
O=C(NC12CCC(CC1)OC2)C1(B(O)O)CC1	2247756543	MVZDBYUGXFYAFV-UHFFFAOYSA-N	239.080	-0.179	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1B(O)O	2247759818	XDHPRNPMPXRNFL-QUBYGPBYSA-N	237.039	-0.356	50	10	BBGE	
COC[C@@](C)(CNC(=O)C1(B(O)O)CC1)OC	2247761237	BQBHBWRVTCAHGU-SECBINFHSA-N	245.084	-0.839	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1C(=O)C1CC(B(O)O)C1	2247800026	KMPCCLXRTIFHRK-SEZDTBSWSA-N	240.112	-0.422	50	10	BBGE	
COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247800429	OZHPESYKAUHAIJ-BWZBUEFSSA-N	243.068	-0.883	50	10	BBGE	
O=C(NCc1cccnc1O)[C@@H]1C[C@H]1B(O)O	2247808354	KWYRYTZIJSVCBJ-HTQZYQBOSA-N	236.036	-0.734	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2247809424	ZGHXEGALQPPYDR-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247809831	ROALFOVKASTVRV-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC(F)C1	2247858236	CARWJSCDSYDGSP-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
C=CCN(CC)C(=O)c1cncc(B(O)O)c1	2247869132	MHTZGYAXDGBRDP-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
O=C(NC1(CCCO)CCC1)C1(B(O)O)CC1	2247872818	YZHMQCZMQLCVNH-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@@H](N)C1	2247888207	XCHXOSAEGUUXKF-RGOKHQFPSA-N	240.112	-0.422	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(C)c(B(O)O)o1	2247891047	FCBLAAKWFKGHIW-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247897040	NIBSGWZGZUBGSY-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCCn1cccc1)[C@@H]1C[C@@H]1B(O)O	2247897854	XKROYVMUWCSWCP-ZJUUUORDSA-N	236.080	-0.143	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247900080	SQOXTGFIDVHZGS-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
CCNC(=O)NCc1ccc(B(O)O)cc1F	2248968498	NHPLTCJNLFQQMC-UHFFFAOYSA-N	240.043	-0.675	50	10	BBGE	
CO[C@H]1CC[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249344096	WGALWZHJFCINEK-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cnccn1	2255450091	TXLNMRAABLFYBM-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)c2cccc(B(O)O)c2)C1	2255522732	NSXCGZYOIYSDEA-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553423	YUGVNFXCHCTNJP-HQJQHLMTSA-N	249.079	-0.991	50	10	BBGE	
O=C(N[C@]12CCCC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255553504	ZQHJFVRPCCXEMM-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2255559961	ZQBPERDWAWCVJX-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
C#CCN(CC)C(=O)c1nccc(C)c1B(O)O	2255580847	IPDWGGYLQYJIAW-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2cccn2)C1)[C@H]1C[C@H]1B(O)O	2255582684	IEEVWEXXRFUGMO-QCLAVDOMSA-N	249.079	-0.434	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2255683250	TZIIASWNQGTDOE-BWVDBABLSA-N	249.079	-0.314	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC[C@H]2C[C@@H]21	2255690429	AMXIELUBGRHAQI-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(F)c(B(O)O)c1	2255718730	DVLHHYLAPBGENF-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1nc(C)ccc1B(O)O	2255728712	KIPXTHDCNJWEOD-MRVPVSSYSA-N	246.075	-0.931	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1c[nH]nc1B(O)O	2255788189	LDZBBZPRZNXSJP-HQJQHLMTSA-N	249.079	-0.991	50	10	BBGE	
NC[C@@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369056	HQEYYCLZZLBRHC-QCBRBAQYSA-N	238.096	-0.953	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1CCN	2298369686	BIYCHONMOBOENV-IMSYWVGJSA-N	240.112	-0.707	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371320	HSERVLJOYFCQQO-JDDHQFAOSA-N	241.096	-0.533	50	10	BBGE	
O=C(NC[C@@H](F)[C@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2298375180	WSPBGUMALKYYHK-JQCXWYLXSA-N	245.059	-0.660	50	10	BBGE	
CC(C)(N)CCOc1cc(B(O)O)c(F)cn1	2303856447	WMLNVBTWLYBGLG-UHFFFAOYSA-N	242.059	-0.593	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1B(O)O	2317457602	MBTBMGAUEWPROS-CBAPKCEASA-N	249.075	-0.031	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1F	2320792378	DLUJDDSMGTXKMH-XCPWMJQPSA-N	248.066	-0.033	50	10	BBGE	
O=S1(=O)C[C@H](NC(=S)NO)[C@@H](Cl)C1	40168098	UYPAGWVMFMYJAF-IMJSIDKUSA-N	244.725	-0.756	50	10	BBGE	
CCC(CC)N(CCOC)C(=O)C(=O)NN	42690478	MDJXVFVQUZSLAE-UHFFFAOYSA-N	231.296	-0.360	50	10	BBGE	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)N	49828520	AIPSXWDVUHJDOX-SSDOTTSWSA-N	237.259	-0.197	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1n[nH]c(N)n1	82472950	WUHLUHXHWBSCQC-VKHMYHEASA-N	216.270	-0.753	50	10	BBGE	
NNC(=O)c1ccc(Cn2cnccc2=O)nc1	94764193	BMRFHLCSYNOWSY-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2	110890426	CGKKIEULNHFYIG-BWZBUEFSSA-N	211.265	-0.471	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(OCCO)CC1	129815458	YLXKGJUMTQRSHS-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2B(O)O)N1	201811059	MEDYZQSURUMMJJ-CIUDSAMLSA-N	226.085	-0.870	50	10	BBGE	
COCCCN(C)Cc1ccccc1B(O)O	203295523	IMCMKJHCTJEARG-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)c([N+](=O)[O-])c1	217424974	VROHOYQDMXPHOU-UHFFFAOYSA-N	211.926	-0.817	50	10	BBGE	
Cn1cnc(COc2ccc(B(O)O)cc2)c1	225524866	QYGLTHNCQHZPGR-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CN(C)CCCOc1cc(F)ccc1B(O)O	228684702	MJYUDLGTZPTSSC-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@@H]1O	230357068	CMANOGZBFMSHKB-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
OB(O)c1ccc(-c2cscn2)nc1	238646548	UXTGJMPVULPNHV-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@@H](CN1CCN2CCCC[C@H]2C1)C(=O)NN	251113461	PKAXIMGJUQIZAM-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[C@H]1O	253206205	WWKTVMLCCKHIRK-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
N#CC1=C([C@@H]2CCS(=O)(=O)C2)NC(=O)C1	259890595	LNLCMQGVPIUEQZ-ZCFIWIBFSA-N	226.257	-0.281	50	10	BBGE	
OB(O)c1cc(O)cc(Br)c1F	307668987	LXKLOLZCMJDHGC-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CCOC(=O)N/C=C/C=NNC(N)=O	308337731	LMNSUDVFFJDVED-DHUIFLATSA-N	200.198	-0.100	50	10	BBGE	
CN1CC[C@@H]2CN(CCC(=O)NN)C[C@@H]2C1	309338115	KKPKSRUPLDIFMP-ZJUUUORDSA-N	226.324	-0.750	50	10	BBGE	
COC(=O)CCc1c(OC)cccc1B(O)O	396033650	QNZMSCSMDOLAAK-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
Nc1c(CO)cc(B(O)O)c2sccc12	396239544	GJGCAIMPJRBEOO-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1ccc2cc(CO)sc2c1B(O)O	396343308	VWWKUYYMENWOPE-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
COC1(CO)CCN(CCCC(=O)NN)CC1	402743313	XOIXECKANOQDBH-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CCNC(=O)Nc1ccc(C)cc1B(O)O	405168815	QCZPOJDDLYFYTJ-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
O=C(O)[C@@H]1OC[C@@H](CCl)[C@H]1[N+](=O)[O-]	687750788	GOZHBJWNIQHRJX-UOWFLXDJSA-N	209.585	-0.030	50	10	BBGE	
C[S@@](=O)CCN1CCC(O)(C#N)CC1	687822687	PFYAPUKLUVSYPF-CQSZACIVSA-N	216.306	-0.285	50	10	BBGE	
OB(O)c1cnn(C[C@H]2Cc3ccccc32)c1	694545306	XPBXBCFWYVREHA-SNVBAGLBSA-N	228.060	-0.097	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C[C@@H](O)CCl	698121148	YLUVFVWFTJWUKH-HRDYMLBCSA-N	223.700	-0.596	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(CC(N)=O)CC1	700819901	IAMCQBMDTGVVHK-MRVPVSSYSA-N	230.699	-0.780	50	10	BBGE	
CC(=O)c1cc(C(=O)NNC(N)=S)n(C)c1	700887859	QDZLLXUHEXZAAF-UHFFFAOYSA-N	240.288	-0.294	50	10	BBGE	
C[C@@H](Cn1ccc(B(O)O)n1)c1ccccn1	703706711	CSHZCRPIQPUBNW-VIFPVBQESA-N	231.064	-0.238	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OCC(F)F)C1	707395547	AMMUOOBFXPQBCF-ZETCQYMHSA-N	237.250	-0.279	50	10	BBGE	
CN(CCCCC(=O)NN)CCn1cccn1	707432464	YGTDHPCHDSETFL-UHFFFAOYSA-N	239.323	-0.025	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1CCC(=O)NN	708462911	LGYVGAXLTLGVGG-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@](C)(CO)COC	708525860	HWJBCDYOJWTNBK-ONGXEEELSA-N	247.339	-0.526	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C[C@H](C)O	709384232	GTXZYRDTRCHUMX-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)[C@H]2COCCO2)CN1C	761814225	ZSDJLWGWJOPAOV-PSASIEDQSA-N	241.291	-0.402	50	10	BBGE	
CC(=O)CCN(C)C(=O)c1ccc(B(O)O)cc1	863877693	HSTKJKXCLSKLPB-UHFFFAOYSA-N	249.075	-0.583	50	10	BBGE	
C[C@@H](NCc1ccccc1B(O)O)C(C)(C)O	863888665	JCYKTECWJPFBDF-SECBINFHSA-N	237.108	-0.385	50	10	BBGE	
COC1(C)CN(Cc2cscc2B(O)O)C1	1231945057	BVAYCOQQGGTTGD-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
OB(O)c1cscc1CN1C[C@@H]2C[C@H](C1)O2	1231949413	CQQVNULZKCJVFN-DTORHVGOSA-N	239.105	-0.599	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNc1ncccn1	1290672860	CQVDYLRBWYBCOJ-HNQUOIGGSA-N	245.246	-0.232	50	10	BBGE	
C#CC(=O)NNC(=O)c1ccccc1O	1306190006	AOBFBQUTTZPJQE-UHFFFAOYSA-N	204.185	-0.214	50	10	BBGE	
NCC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	1337106149	WTQSRMAZNZBRDI-KCQQBQQISA-N	219.082	-0.203	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)[C@@H]1COCCO1	1524184066	YLGJXLLZLGOEEI-YUMQZZPRSA-N	241.247	-0.901	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)Cc1cccnc1	1628629388	FINFCNHMTYAIHU-VIFPVBQESA-N	235.243	-0.682	50	10	BBGE	
CN1[C@@H](CNC(=O)F)CCS1(=O)=O	1882783304	CNPZHDAPLUDXCJ-RXMQYKEDSA-N	210.230	-0.301	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](N=c2[nH]nco2)C1	1885008399	ASKKFNDTPRWUQP-RFZPGFLSSA-N	237.668	-0.692	50	10	BBGE	
NC(=O)N1CC(CNC(=O)CCCl)C1	1885616536	MTABUSUIHGMFDY-UHFFFAOYSA-N	219.672	-0.258	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CCO)CC1	1888150980	VQFFMRWCFDKOIZ-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CCCC(=O)NN)SCC(N)=O	1889185856	SZXPSEWMGITMNQ-LURJTMIESA-N	219.310	-0.246	50	10	BBGE	
CO[C@H](C)CN1CC[C@@](C)(B(O)O)C1	1891493408	UZCIICHDWDGHFK-RKDXNWHRSA-N	201.075	-0.040	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)CC(=O)NN)O1	1892624065	YTRUENZPAQJHKK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893445669	FGZFLMWRKPJGDA-ZLUOBGJFSA-N	221.640	-0.171	50	10	BBGE	
O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@H]1Cl	1893454317	VUJWCFBCIDXGNU-RNJXMRFFSA-N	218.684	-0.282	50	10	BBGE	
COC1(CO)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1893475277	RMFYUQNSXQOFSK-RNFRBKRXSA-N	219.668	-0.167	50	10	BBGE	
CC1CC(=O)N([C@@H](C)CC(=O)NN)C(=O)C1	1894124707	FIKSMRBUSMWSNK-ZETCQYMHSA-N	227.264	-0.460	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2COC[C@@H]21	1896233981	YYEHFBRKXMIZJP-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)S(=O)(=O)C1	1901037955	HUDMQLFCLGFRNB-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
OB(O)c1cc(S[C@H]2CC[C@@H]2O)ncc1F	1903005222	DMOUSJYFTNEBCS-YUMQZZPRSA-N	243.068	-0.484	50	10	BBGE	
C[C@@H](O)[C@@H](C)Sc1cc(B(O)O)c(F)cn1	1903005663	JSFHYZBRQOJGSV-PHDIDXHHSA-N	245.084	-0.238	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@]2(CO)C1	1905773892	FDMRFOAKISLFAZ-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1CC[C@H](C)S1(=O)=O)C(=O)NN	1912292373	HPDRJCOKQUSHIA-BQBZGAKWSA-N	235.309	-0.964	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	1914253054	CDHWHEHSQXLTLQ-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1ccoc1C(=O)NN	1914262057	KYHFDJZKXZGAFW-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C(=O)NC(=O)[C@H](C)Cl	1916837442	FTPDVVLPDSHQIY-NTSWFWBYSA-N	249.698	-0.084	50	10	BBGE	
N#CC1=CCN(C(=O)NC[C@H](O)C(=O)O)CC1	1917056766	MPTPGRGROLCOFU-QMMMGPOBSA-N	239.231	-0.703	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]2(CCC[C@@H]2O)C1	1918421138	IFNCMPZGVBPEFS-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
N#Cc1cc(C(=O)NNCCO)ccn1	1923095747	OUOSGPJWACXFQT-UHFFFAOYSA-N	206.205	-0.820	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CN=CN1	1923417213	OFADRXSQVVDKFS-LURJTMIESA-N	228.252	-0.458	50	10	BBGE	
O=C(OCCl)N1C[C@]2(CO)C[C@]2(CO)C1	1928556279	GFVRLNUZVXBJAG-DTORHVGOSA-N	235.667	-0.004	50	10	BBGE	
N#C[C@@H](Cl)CN1CCS(=O)(=O)CCO1	1928710889	WSIHDLGVFJGHFV-SSDOTTSWSA-N	238.696	-0.221	50	10	BBGE	
O=C(NNCCO)[C@@]12CCC[C@@H]1OCC2	1929832890	ABEULLVWLPGUNF-WCBMZHEXSA-N	214.265	-0.441	50	10	BBGE	
O=S1(=O)CC[C@H]1Cn1nnnc1CCl	1930860780	XHEBBTUNNZEPGC-YFKPBYRVSA-N	236.684	-0.401	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2COC[C@H]2O)C1=O	1931728996	AIHGZGXKWOGIFT-ZXFLCMHBSA-N	219.668	-0.167	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]1(C)CO	1932966431	CKTSEAHASZJZJH-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1[C@@H](CN(C)CC(=O)NN)C1(F)F	1933036423	SULUEPXFXWBYTO-NTSWFWBYSA-N	207.224	-0.191	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSc1nccnc1N	1936095341	WGBMYDGGUNUDHE-RITPCOANSA-N	239.304	-0.223	50	10	BBGE	
O=C(Cn1ccnn1)N[C@]1(CCl)CCOC1	1937142787	LIKUJCAJSIPYLA-VIFPVBQESA-N	244.682	-0.208	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@H](F)C2)CC1	1938231932	GCCXFZJBHIQURL-HTQZYQBOSA-N	231.271	-0.839	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H](O)C[C@H]1C2	1940866920	IYUPJMUMYFWQEP-BWZBUEFSSA-N	249.261	-0.543	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c1	1941088829	SEIJBLSBCSOPRO-DTWKUNHWSA-N	232.243	-0.654	50	10	BBGE	
C[C@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941093804	SXEMZBAGZQWMOM-INTQDDNPSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CCO)C1	1941095093	SEJIVPCGXAKASP-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CO[C@@H]1CCC[C@H](OCCOCC(=O)NN)C1	1941772186	FPFOYGGCFPRJCL-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
O=C(NCCBr)c1c[nH]c(=O)cn1	1953831718	PSCLHOLHYTZJQT-UHFFFAOYSA-N	246.064	-0.105	50	10	BBGE	
O=C(CCl)NC1CN(C2COC2)C1	1954037082	ONRLPWDIKFNDJQ-UHFFFAOYSA-N	204.657	-0.576	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955549876	SQPRQEMKIGCUIE-UXXCCHNYSA-N	219.668	-0.432	50	10	BBGE	
O=C(NCCCl)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1957253898	QEYFHGPTFQLCAK-ZMONIFLSSA-N	237.708	-0.368	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CO[C@H](C)C1	1958050405	GDAGJLDXGPAORT-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1958632558	CLJOGKBLEHUARQ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1959719694	DTBXYQKRWMAITQ-VGMNWLOBSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2CC(C2)C1	1959798812	XIZRHNUYENHZFE-UHFFFAOYSA-N	219.235	-0.047	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(F)c(O)c1	1961236260	JNFZKVHLGVFVJH-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)[C@@H]1C	1961674306	BQJLPDWTUFKURN-HTQZYQBOSA-N	206.054	-0.394	50	10	BBGE	
OB(O)c1csc(N2CC3(CSC3)C2)n1	1961717507	BETPVGXOQRQNLW-UHFFFAOYSA-N	242.134	-0.624	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962120574	BKFZRYNVZXYENK-QYNIQEEDSA-N	234.683	-0.380	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C[C@H](Cl)C#N	1962289951	LXUDVMCHGCNCIO-SFYZADRCSA-N	230.699	-0.863	50	10	BBGE	
Cn1nnc(C(F)(F)F)c1C=CB(O)O	1975148647	VQDRNRBUMQAUFX-UHFFFAOYSA-N	220.947	-0.141	50	10	BBGE	
COCCN(CCC(=O)NN)[C@H]1CCSC1	1980767170	CEUXIFGZLMAIFG-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CN(CCC(F)F)c1ncncc1B(O)O	1981415015	ZGYZKNWLAVXVNG-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
CCN(c1ncc(B(O)O)c(C)n1)C(C)C	1981447203	KDHGYGSVAJSNSL-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
OB(O)c1cnc(N2CCSCC2)c(F)c1	1981468516	CZZWDUGVFCELLS-UHFFFAOYSA-N	242.084	-0.546	50	10	BBGE	
CCCCN(C)c1nc(C)ncc1B(O)O	1981469491	TVIBXJKGDMZBEE-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)C(C)(C)C1	1982416220	SNFXTOLOQGCZFE-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CN(C)C1CCC(N(C)CC(=O)NN)CC1	1983935296	LDOVPAAQNTUPCH-UHFFFAOYSA-N	228.340	-0.219	50	10	BBGE	
CN(CC(=O)NN)CC(F)(F)[C@@H]1CCOC1	1986786273	CUNVUJWFQACPLK-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
C[S@](=O)CC1(C)CN(CCCC(=O)NN)C1	1987036480	DZOIZGJKLFGCQA-INIZCTEOSA-N	247.364	-0.543	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)C[C@@]1(C)O	1989511690	GHNCJWSADKRQDI-WCABBAIRSA-N	229.324	-0.295	50	10	BBGE	
CCc1noc(CN(C)CCCC(=O)NN)n1	1997740092	IKUYINCWWPQDTO-UHFFFAOYSA-N	241.295	-0.166	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1CC2(CC2)C1	1998138554	XMLIPPWXXQZFHO-ZETCQYMHSA-N	241.052	-0.781	50	10	BBGE	
CN(CC1CC(F)C1)c1ccncc1B(O)O	2004911118	CRSVWUHONMBVQK-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncccc3B(O)O)C[C@H]21	2004935875	RCRBCPRXJYDQLK-DTORHVGOSA-N	232.092	-0.146	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(F)CC2C3)n1	2004971847	XDDIPDVQSJZWLW-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2F)cc1B(O)O	2006987794	IWKMBCGLDOCZJL-WPRPVWTQSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H](COc1cc(B(O)O)ccc1F)N(C)C	2008381264	UMLHJYMBDYZOGO-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1COCCOC1	2014500184	KBSRAKHEQAGRBU-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1nc(C)ncc1B(O)O	2022577868	ACFGZNRETVAIPQ-DTWKUNHWSA-N	236.080	-0.110	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CO[C@@H]3CNC[C@@H]32)CC1	2042710042	TUGBBTNTXKUULK-IJLUTSLNSA-N	247.298	-0.097	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1ccccc1=O	2050242876	QFMIQKUTSADBKT-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ncc(B(O)O)cn1	2052469931	XDPCPWXUMQJSJH-YWVKMMECSA-N	247.107	-0.361	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1B(O)O	2052620613	VYKOQEYVIOBNCQ-BFLSOPEQSA-N	244.103	-0.086	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)ncc1B(O)O	2052620615	VYKOQEYVIOBNCQ-SVDPJWKOSA-N	244.103	-0.086	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@]12CCOC2	2052627561	NIXFVTDAGJHDEJ-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(OC)c1B(O)O	2060073006	HCBNFIGMJQDIFB-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1ccc(Cl)c(B(O)O)c1C=O	2060133886	MJUSOGGCJZRCJT-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCn1cccn1	2064609881	KHJNNJIMUCQERM-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@]12C[C@H](CCO1)C2	2073407419	KNEDCGZRXNEDJN-WVSHTKLVSA-N	249.075	-0.903	50	10	BBGE	
OB(O)c1cncc(OC[C@@]23CCOC[C@@H]2C3)c1	2074096430	YQGYOGZADPLNHN-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)nn1C	2076082254	RSWJGONYHHPJAP-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
CN(CCOCc1cccc(B(O)O)c1)C1CC1	2080318144	ASSWOGWQKKCEOG-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CN(Cc1nscc1B(O)O)C[C@H]1C[C@H]1F	2211137047	ABMPOMJSJJYEAW-HTRCEHHLSA-N	244.100	-0.387	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](OC(F)(F)F)C1	2212369622	AAKKYKOQXHLNEN-NTSWFWBYSA-N	241.213	-0.025	50	10	BBGE	
OCCCCCOc1ncccc1B(O)O	2212601624	QNQIUGVERJZMGF-UHFFFAOYSA-N	225.053	-0.697	50	10	BBGE	
CC1(C)C=CCN1c1ncccc1B(O)O	2212615535	QLSPTFGWQSYSEC-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
C[C@@H]1COCCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215773449	SPXWSIVSQZXLBQ-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1c1ccc(B(O)O)cn1	2217173262	PRFOIKXDCIJMLW-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2OCC[C@H]2F)c1	2217176463	WPYIAQSPGGSDSL-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
CO[C@@H]1C=CCN(c2ccc(B(O)O)cn2)C1	2217184186	QQKBEQPOYKQLGS-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CC(C)(CCN)COc1ccc(B(O)O)cn1	2217187792	DWDNAXJNQOLMPV-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCO1	2217195429	KAQBFXSFACXURG-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
NC1CCC(Nc2cc(B(O)O)ccn2)CC1	2217198553	CLNKNUDWEYTZNK-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cn1)C(C)(C)C	2217202922	NEGYPNVOJKIZQB-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
CC(=O)[C@@]1(C)CCN1Cc1cccc(B(O)O)c1	2220069610	ZBWYVGAEXQBRJV-CYBMUJFWSA-N	247.103	-0.080	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncccc2B(O)O)CCN1	2223637116	OFDMPNOCLQNDGL-VIFPVBQESA-N	249.123	-0.296	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1Nc1ccc(B(O)O)cn1	2223640867	ZITRXKUEEWTILB-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
N[C@@H]1CCCCCN(c2ccc(B(O)O)cn2)C1	2223645824	ZFCGGCNREKBRMI-LLVKDONJSA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1cnc(=NCC2CCCCCC2)[nH]c1	2223669927	QGZZSOYSQFRPQI-UHFFFAOYSA-N	249.123	-0.039	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H]1CCN	2223672833	UXKKTLYXPVEJTF-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
CC(CO)(CO)C(=O)NC[C@H]1C[C@H]1Cl	2241247920	XCIMGIPSBMREPN-RNFRBKRXSA-N	221.684	-0.279	50	10	BBGE	
O=C(NCCC(F)F)[C@@H]1C[C@@H]1B(O)O	2241481446	UXKLAGORGGELAX-UHNVWZDZSA-N	206.985	-0.379	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)[C@H](O)CC1	2241586956	GOGDQSPQAVQLAM-DJLDLDEBSA-N	218.684	-0.065	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@H](C)CCl	2242436334	NDZSOMQACLVORE-RQJHMYQMSA-N	209.673	-0.015	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1sccc1B(O)O	2243356028	AHCUBOYWEMANQD-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
O=C(C#CB(O)O)NCC1[C@H]2CCCC[C@H]12	2243356727	MEAUNGRKZIEQHS-IUCAKERBSA-N	221.065	-0.446	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccsc1B(O)O	2243360002	ZNVGYURZCDFUJA-IYSWYEEDSA-N	243.068	-0.484	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1CNC(=O)C#CB(O)O	2243361654	FEQSLAZXKSQDIB-HZGVNTEJSA-N	231.007	-0.591	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)C1(B(O)O)CC1	2243363891	NXNLALWDPPFGGK-UHFFFAOYSA-N	220.037	-0.243	50	10	BBGE	
O=C(NCCOCC(F)F)C1(B(O)O)CC1	2243365048	HEIBOQOZZAJGHK-UHFFFAOYSA-N	237.011	-0.609	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243383486	YUVASPZKSNWWEL-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)cs2)C1	2243386060	UDAKQUZYGVSWME-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396898	SHWNRMOJDCIPPC-PZYMCFGQSA-N	229.085	-0.221	50	10	BBGE	
CC(C)[C@H]1C[C@H]1CN(C)C(=O)C#CB(O)O	2243399877	RVFJLWRSHCOTGL-VHSXEESVSA-N	223.081	-0.248	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243411146	OSEUGOSGUPPTMB-MRVPVSSYSA-N	226.085	-0.809	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1CC[C@@H]1C)B(O)O	2243411895	CEGWIXGHUZXJFT-CBAPKCEASA-N	247.125	-0.480	50	10	BBGE	
CC1(C#N)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243418018	ZBTSHGLYWJCTPR-OCAPTIKFSA-N	222.053	-0.389	50	10	BBGE	
CC(C)[C@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418029	ZFSXIOWEKRNPGJ-YIZRAAEISA-N	228.101	-0.661	50	10	BBGE	
C=C(CS(=O)(=O)NCC[C@@H]1C[C@@H]1C)B(O)O	2243433970	SGFHOLPBHUMUTJ-IONNQARKSA-N	247.125	-0.480	50	10	BBGE	
CC=CC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1	2243686678	PMILFFWMXGVDIU-UHFFFAOYSA-N	240.455	-0.649	50	10	BBGE	
O=C(O)CCCCNC(=O)C1(B(O)O)CC1	2243753407	USUOUOICHIPAMA-UHFFFAOYSA-N	229.041	-0.636	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCSCC1	2244214897	YWGJNVCXNGFKNR-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2CCC[C@H]21	2244546201	IGJQBHVDXLLRDD-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NCCC#CB(O)O)S1	2244550925	XOWWLPGCTVWOPR-BDAKNGLRSA-N	241.121	-0.208	50	10	BBGE	
CCC1(Oc2cc(B(O)O)ccn2)COC1	2245018273	NQCWCPVLHJUCGA-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
C[C@@H](COC(F)F)Oc1cc(B(O)O)ccn1	2246673638	SVOGHTDIGKGAIS-LURJTMIESA-N	247.006	-0.232	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)C#CB(O)O	2247738324	QFCZAHDRQPLPRH-SECBINFHSA-N	232.048	-0.856	50	10	BBGE	
O=C(C#CB(O)O)N1CCCO[C@H]2CCC[C@@H]21	2247744391	SBRGOBVDAXNGRG-UWVGGRQHSA-N	237.064	-0.828	50	10	BBGE	
N[C@H]1CCCC12CN(C(=O)C1(B(O)O)CC1)C2	2247754568	MZFTVMDWHYFJBW-QMMMGPOBSA-N	238.096	-0.667	50	10	BBGE	
CN(C(=O)c1ccc(F)c(B(O)O)c1)C1CC1	2247760053	AXDDEXKLSPLRBS-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
CC(C)[C@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247798124	QIJYZPIGNRTTRK-IVZWLZJFSA-N	241.096	-0.267	50	10	BBGE	
Cc1cc(C)cc(CNC(=O)C#CB(O)O)c1	2247849094	VHWCOZBMEGZDGD-UHFFFAOYSA-N	231.060	-0.065	50	10	BBGE	
CN(C[C@]12C[C@](C)(CO1)C2)C(=O)C#CB(O)O	2247850448	OLZNJKJGSXLTEJ-PHIMTYICSA-N	237.064	-0.971	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccoc2B(O)O)[C@@H]1C	2247865809	ATILCSVLVOLTAI-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCCC1CC1	2247868273	RRYZNXLIXUMIAR-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(F)cc1B(O)O	2247876805	VZGZDUSSERUCRP-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CCCN(C(=O)c1c[nH]nc1B(O)O)C(C)C	2247893747	XNNORMCYSFDJNU-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
CCC(N)(CC)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247895196	PUJODHWRENKRBZ-KYZUINATSA-N	242.128	-0.127	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1N	2247895358	RJIWXNFQAOCEEV-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247896319	YHXHRXWQADZILS-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2NCC[C@@H]2C1	2247896815	KNXBNZQZSKCHBW-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
O=C(NCC[C@@H]1CCCNC1)[C@@H]1C[C@H]1B(O)O	2247898367	CVYCFISZIFNGLU-IVZWLZJFSA-N	240.112	-0.645	50	10	BBGE	
Cc1nc(NC(=O)C2CC(B(O)O)C2)nn1C	2247905345	UFUOLTGWJACBSE-UHFFFAOYSA-N	238.056	-0.685	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247909037	DMZZSJVEQJKDKE-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@H]1CCCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2249159130	DGMRJKCASYMALG-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
NNC(=O)c1cn(CCO[C@H]2C=CCC2)nn1	2249278575	NANMBEOWRWGVAF-QMMMGPOBSA-N	237.263	-0.383	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1cocc1B(O)O	2249429187	UHPQKWOYGJTFPF-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1coc(B(O)O)c1	2255445594	WRPGKIKCDRKSSM-WEDXCCLWSA-N	249.075	-0.265	50	10	BBGE	
Nc1cccc2c1CCCN2C(=O)C#CB(O)O	2255460566	VSVJMTWANFJDJW-UHFFFAOYSA-N	244.059	-0.437	50	10	BBGE	
C[C@]1(NC(=O)c2ncccc2B(O)O)C=CCC1	2255518278	IWIUWMCGFIWYPH-LBPRGKRZSA-N	246.075	-0.400	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)c1ccoc1	2255554691	PRQMLKDMFXJHOE-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(NCC1(n2cccn2)CC1)[C@@H]1C[C@@H]1B(O)O	2255562313	UAIHSVAGVJDKIV-BDAKNGLRSA-N	249.079	-0.649	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255675070	VDMHYHGQWKYMEO-PELKAZGASA-N	248.091	-0.386	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cccc(C)c1B(O)O	2255735996	FJYKDTCZJQNFGO-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)ccc1O	2256013793	ILAJRBNPUBEUDZ-UHFFFAOYSA-N	247.059	-0.467	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)ccc1O	2256015730	WYRSOHIVHSWILK-JVXZTZIISA-N	249.075	-0.400	50	10	BBGE	
C=C=CCC(=O)NCCc1ccccc1B(O)O	2256641028	SIEMVKOGGSOROX-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2298004340	DGPQGHBQQZOTTI-KLBPJQLPSA-N	241.335	-0.010	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298370032	MELQRFIUESIDHZ-DFLMOOGLSA-N	241.096	-0.077	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)[C@@H]1C[C@H]1B(O)O	2298371444	LHRHTOXNNWWPFB-UVMAFCGOSA-N	237.064	-0.223	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOC[C@H]1C1CC1	2298377398	PMHPDUOSXPAFAQ-AEJSXWLSSA-N	239.080	-0.513	50	10	BBGE	
CC[C@H](O)CN(C[C@@H](O)CC)[C@@H](C)C(=O)NN	2299140082	NUVQEMRKLRYINR-GUBZILKMSA-N	247.339	-0.791	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C[C@@H]2CC[C@H]1C2	2312113759	ZZRAKMCYJGLGJU-YWVKMMECSA-N	247.107	-0.219	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](Nc1ccc(B(O)O)cn1)C2	2312614206	AJUKPDDFGLWFNL-JLLWLGSASA-N	248.091	-0.259	50	10	BBGE	
C[C@H]1CNC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317167573	JBUGTAIYYXCIHT-UFBFGSQYSA-N	245.091	-0.742	50	10	BBGE	
O=C(Cl)CCC(=O)NCCS(=O)(=O)O	33434925	OTYDOGLYCZUSRU-UHFFFAOYSA-N	243.668	-0.464	50	10	BBGE	
CC(C)N(CC(N)=O)C(=O)NC(=O)CCl	42440577	XMFNEJVLKHGFMF-UHFFFAOYSA-N	235.671	-0.343	50	10	BBGE	
COC[C@@H]1CCN(CCCC(=O)NN)C1	81121039	RMEYGWCVHIWHJF-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H]1CO	82470382	JAAQHUDNSOWOSV-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@@H](Sc1n[nH]c(=O)n1C)C(=O)NN	82472656	MWAKXQALMCGUIY-RXMQYKEDSA-N	245.308	-0.785	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC(=O)[C@H]1C	85086992	RJRPFPKQOJUHMN-CRCLSJGQSA-N	218.640	-0.513	50	10	BBGE	
CC(C)(CN1CCC(N)CC1)C(=O)NN	86597982	FSJRGTRHPWRWIN-UHFFFAOYSA-N	214.313	-0.574	50	10	BBGE	
CC(C)(CN1C(=O)CCCC1=O)C(=O)NN	86598143	QVONLLCICBRSDH-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C(N)=O)CC[C@@H]1C	110586404	CGLQKTYERGYJKS-DJLDLDEBSA-N	242.323	-0.659	50	10	BBGE	
COCCN(CCOC)[C@@H](C)CCC(=O)NN	110594692	MEKNBDJAMLFAFB-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)o2)C1=O	110601478	AUWFFHLKWXRZKU-UHFFFAOYSA-N	238.247	-0.250	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCCC[C@@H]1CO	124389420	RKFJUWDVPKKMMU-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CCN1CC(=O)N(C[C@@H](Cl)C#N)CC1=O	139600123	UNFONMBJGQYYIK-ZETCQYMHSA-N	229.667	-0.192	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@@H]1CO	159202514	MFNMPWMHJGFFNG-LURJTMIESA-N	229.685	-0.794	50	10	BBGE	
NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	160530842	QDTGBFXJBFNXBV-BQBZGAKWSA-N	212.253	-0.830	50	10	BBGE	
N[C@@H]1[C@H](O)C[C@@H](C(=O)O)[C@H]1Br	200458863	NAMUYDLTJMUKFY-TXICZTDVSA-N	224.054	-0.457	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2nccnc12	228302161	YTEWJHACJJWEJU-UHFFFAOYSA-N	231.215	-0.057	50	10	BBGE	
O=C(CI)NO	238710439	OEDQPOUIQAASQP-UHFFFAOYSA-N	200.963	-0.073	50	10	BBGE	
O=C/C=C/[C@@H](O)[C@@H](O)CBr	238723046	JPSNWESNMHSJOW-GONBATFASA-N	209.039	-0.142	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H]1CO	251208466	JAAQHUDNSOWOSV-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1C[C@@H]2C(=O)N(CCC(=O)NN)C(=O)[C@@H]2C1	253245852	GJRZQAAKWVASCM-WHUPJOBBSA-N	239.275	-0.603	50	10	BBGE	
CNC(=O)[C@H]1CCCN(C[C@H](C)C(=O)NN)C1	300026642	FLMGFKONEQZSHV-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
C[C@H](CSCC(=O)N(C)C)C(=O)NN	300805640	GIBOLEYVOIKZOQ-ZCFIWIBFSA-N	219.310	-0.566	50	10	BBGE	
Nc1cc2scc(B(O)O)c2cc1O	306594696	XMDUITBMAHGTBZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=[N+]([O-])c1cncc(B(O)O)c1Br	306906674	ZQBNXOASLVCYCA-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O[C@H]1O[C@H]([C@H](O)CCl)OC[C@@H]1Cl	307550987	RTIRCQLWLDMWOI-BGPJRJDNSA-N	217.048	-0.115	50	10	BBGE	
COCC(C)(C)N(C)CCC(=O)NN	308588434	UCVLIYJARVQIGG-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
CCNC(=O)[C@@H]1CCC/C1=N/NC(N)=O	308690120	KEPUJQLFRTZQIG-CVUAEOEKSA-N	212.253	-0.053	50	10	BBGE	
OB(O)c1cc([C@H]2CCCNC2)ccc1F	309221523	PQILLQKNSIILOY-VIFPVBQESA-N	223.056	-0.028	50	10	BBGE	
CO[C@H]1COCC[C@@H]1N1CC(=O)OC(=O)C1	310192913	XYZARMQOPDPSOV-YUMQZZPRSA-N	229.232	-0.824	50	10	BBGE	
C[C@H](O)CN(CCO)C[C@H](Cl)C#N	379360738	BSJYNEOBMXHVCM-JGVFFNPUSA-N	206.673	-0.208	50	10	BBGE	
N#CC1=C(N)C2=C(N)CC(=O)NC2=NC1=S	381285723	ZLXFUEWFOYIFKA-UHFFFAOYSA-N	233.256	-0.805	50	10	BBGE	
NNC(=O)c1cn([C@H]2CCCNC2)cn1	381616928	VWGIVKVWPNFXBA-ZETCQYMHSA-N	209.253	-0.589	50	10	BBGE	
CC1(O)CN(c2nc(CCCl)nc(=N)[nH]2)C1	384085840	UKFBIEZFIUUVDL-UHFFFAOYSA-N	243.698	-0.364	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)cc([N+](=O)[O-])c1	396060695	RZTULKFOQICWHD-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
O=C1C[C@@H](CNC(=O)NC(=O)CCCl)CN1	398296191	JLBLBDCUCNXYSS-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(F)cc1B(O)O	404994454	WZIBCBGWOLTVJF-LURJTMIESA-N	241.027	-0.521	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)C1CCC1	405016823	XXUQZIUSQYZNTH-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
CCN(C)C(=O)Nc1ncc(B(O)O)s1	405049499	CBPGAIKQIUKTBN-UHFFFAOYSA-N	229.070	-0.694	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1cccc(B(O)O)c1	405053697	JVCXZKRZXQLUJH-KWQFWETISA-N	233.076	-0.361	50	10	BBGE	
Cc1cc(C(=O)Nc2ccccc2B(O)O)on1	405057272	MNCJHBAMCKSOAL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1	585037953	ONDWFWBCIXLFEF-MFKMUULPSA-N	249.119	-0.119	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	685957829	HVVSTZMNGHADDO-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)CC[C@@H]1C	688752326	CYXMUUZBIONZOK-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)C[C@H](C)O1	689158238	BMABGJLYRMHZFL-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1	690075739	NGRGLLIIYAXXMU-GHMZBOCLSA-N	249.075	-0.983	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CO[C@H](C2CC2)C1	691374341	XSLFEORJZWDWJC-YUMQZZPRSA-N	227.264	-0.998	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F	693393959	DBTMBZXVPAXTRA-RFZPGFLSSA-N	219.191	-0.864	50	10	BBGE	
COc1ccc(C(C)(C)CO)cc1B(O)O	694855860	MTMHJXGEZDYJCZ-UHFFFAOYSA-N	224.065	-0.355	50	10	BBGE	
CN1CCN(c2nnc(CCl)o2)[C@H](CO)C1	699436898	RFKVDVYJGZHFRC-ZETCQYMHSA-N	246.698	-0.079	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC12CC2	705172943	FLMUXMWXBDJJIC-QMMMGPOBSA-N	232.048	-0.500	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCC[C@@H]1O)C(=O)NN	708052185	VMGDSBQUZNWQNT-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCCC2=O)CC1	709391030	ORSVYBOUKOWALI-JTQLQIEISA-N	238.287	-0.058	50	10	BBGE	
C[C@@H](CCl)C(=O)N(C)CCS(N)(=O)=O	719722357	KHNCRZUTSGOYTE-LURJTMIESA-N	242.728	-0.392	50	10	BBGE	
C[C@H](NC(=S)NNC(=O)CC(N)=O)C1CC1	855101570	XBNYMRXKUKNEJK-YFKPBYRVSA-N	244.320	-0.844	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1ccnc(CO)c1	1135736132	XEHGVTKRSHIORI-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
Cc1cccc(NNC(=O)CCc2nn[nH]n2)n1	1148429347	AIDCPNIDMBVBPV-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
C#CCN(C)C(=O)c1cccc(B(O)O)c1	1154143929	OFSYRXMSBDFVSY-UHFFFAOYSA-N	217.033	-0.928	50	10	BBGE	
CCNC(=O)NNC(=O)c1cncc2nc[nH]c12	1292129967	RBPLOBHVOPKHPX-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
CN(NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1	1299685447	RNSAFTIZWXBBQQ-ZETCQYMHSA-N	240.263	-0.900	50	10	BBGE	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cc[nH]n1	1300694653	UPYZCCCUHJKSQY-XPUUQOCRSA-N	240.263	-0.422	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCc2nc[nH]c2C1	1333886357	SZAFETOHJVSCKV-LURJTMIESA-N	237.263	-0.525	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C	1540384210	VZLZOSURIBQQCP-PHDIDXHHSA-N	229.236	-0.713	50	10	BBGE	
Cn1nnc(C(=O)NNC(=O)C(C)(C)C)n1	1544259790	AUPYCJGWKJFAJS-UHFFFAOYSA-N	226.240	-0.983	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ncn(C)n1	1583870967	UYUNQEOBCQLCPY-UHFFFAOYSA-N	226.240	-0.833	50	10	BBGE	
O=C(NNC(=O)c1cnco1)c1ncccn1	1626776317	QAUZZZGOFWUQJA-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
CNNC(=O)C1(NC(=O)OC(C)(C)C)COC1	1880023524	LZEAYLQACHGIML-UHFFFAOYSA-N	245.279	-0.469	50	10	BBGE	
C[C@H]1COC[C@H]1O[C@H](C)CC(=O)NN	1888042896	LRNXLSXALQEPQS-XLPZGREQSA-N	202.254	-0.194	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1CCCO1	1888053879	BCPRMXQFDJLVMW-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CCSCC(=O)NN(C)S(C)(=O)=O	1888865041	JHAPARIHKXKCRU-UHFFFAOYSA-N	226.323	-0.338	50	10	BBGE	
CCC[S@@](=O)N1CC[C@](C)(B(O)O)C1	1891515996	CNGHOSXYJSHKJT-RMLUDKJBSA-N	219.115	-0.001	50	10	BBGE	
CCC[S@](=O)N[C@@H]1CCC=C1B(O)O	1892925400	UXULBORLXVAAKO-CLAHSXSESA-N	217.099	-0.250	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893462017	VHNJHKXOYCNJGR-XUTVFYLZSA-N	218.684	-0.547	50	10	BBGE	
O=C1CCN(C(=O)[C@@H]2C[C@H]2Cl)CCN1	1893469249	HBNQCJFRQIJMSV-RNFRBKRXSA-N	216.668	-0.038	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CC[C@H]1CO	1897226234	HUVHSEGVHJZHLL-PPYPBTKYSA-N	246.694	-0.524	50	10	BBGE	
OB(O)c1ccc(F)c(OC[C@H]2CCO2)c1	1901307481	RIIDXMGAVKFZEG-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CN(NC(=O)C12CC(C)(CN1)C2)S(C)(=O)=O	1901340766	JTLGWVDSPGWZAU-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCO[C@@H]3C[C@H]32)C1	1908359209	TYIZYMPBBNNPAJ-LNFKQOIKSA-N	239.319	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)[C@H]1C(C)C	1908490922	RDOWHPXZWAYAGK-MWLCHTKSSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN=S1(=O)CCCC1	1913854858	PJSVSIFLVJOHBS-HTQZYQBOSA-N	231.321	-0.126	50	10	BBGE	
CCN(C1COC1)[C@H](C)[C@@H](C)C(=O)NN	1915658063	NEGPNXGTMIJFAT-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)CN1CC[C@@]2(CCC[C@H]2O)C1	1918418101	AHWXUDVCEVYYHX-SCZZXKLOSA-N	213.281	-0.787	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)C(F)(F)F)CCCN1	1923383477	UMRDNCXFYZIUHO-SSDOTTSWSA-N	239.197	-0.162	50	10	BBGE	
CC(C)CCN(CCO)CC(=O)NN	1924502528	QQTPDAYBRKOHCI-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@@H]2C1	1927914849	YYERXVQGSYIHDT-SGIHWFKDSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)COCCN1CC(C(F)F)C1	1928180873	GYCOWKNRXWVMFW-UHFFFAOYSA-N	223.223	-0.810	50	10	BBGE	
Cn1nnc(CN(N)C(=O)OC(C)(C)C)n1	1930116226	OYZQIKUKAJYOJB-UHFFFAOYSA-N	228.256	-0.179	50	10	BBGE	
CC(C)(C)OC(=O)N(N)CC(=O)NCC#N	1930118055	KHTCCVRQAAWMBR-UHFFFAOYSA-N	228.252	-0.263	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1930235985	UDYWEPSWTHJZQN-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](c2nnn(C)n2)C1	1935168803	DDPFLFQDRUNZAD-WDSKDSINSA-N	201.661	-0.154	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCO)C1CCC1	1936095223	VDQSLXPERKWISO-SCZZXKLOSA-N	227.308	-0.541	50	10	BBGE	
O=C(Cn1ccnn1)N1CCO[C@@H](CCl)C1	1937148176	AIDWKFNHFMLPNX-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](N=c2[nH]ccn(C)c2=O)C1	1937190649	PHEOCSJPRQVVCG-HTQZYQBOSA-N	242.710	-0.465	50	10	BBGE	
CN(CC(F)(F)CO)CC(C)(C)C(=O)NN	1938122408	OVAHCCMKMAFNFM-UHFFFAOYSA-N	239.266	-0.438	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCCC[C@H]1C2	1939264726	VHRXRWUDRJSNPO-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
O=C(NNCCO)c1cc([N+](=O)[O-])ccc1F	1944215989	PLYHPPCRTFNTBL-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
N[C@]1(C(=O)CCl)CCS(=O)(=O)C1	1953709940	PMMCPZJYXUZIAV-ZCFIWIBFSA-N	211.670	-0.690	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)N(C)N)C[C@H]1OC	1957302328	UKQXMNUKPQKWAZ-WHUPJOBBSA-N	202.254	-0.242	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)C[C@@H](C)Cl	1957308766	XUDLCFMKRGHEAE-RITPCOANSA-N	223.656	-0.346	50	10	BBGE	
COc1ccnc(C(=O)NNC(N)=O)c1	1960555172	JVHBPPZTDUZHOO-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(OC)CC1	1960729912	OFZJTWBWZRNCOL-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]1C(F)F	1961505435	VGRSAFSYIKGMRE-SCSAIBSYSA-N	229.177	-0.049	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1979480514	ROIQJOCUGZRPRJ-JDNHERCYSA-N	247.364	-0.689	50	10	BBGE	
OB(O)c1cncnc1Sc1ccncc1	1981453977	BKYJEWUORBDJAW-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C=C[C@H](C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1981695454	CVEOENXNPKRLAT-BQBZGAKWSA-N	229.041	-0.759	50	10	BBGE	
CCOC(=O)C1CN(C(=O)NC(=O)CCl)C1	1982153673	NXGWCAKLZUPHFO-UHFFFAOYSA-N	248.666	-0.044	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)CCCl)C[C@@H]2N1	1986838853	ALAZHICSOTWLMP-YUMQZZPRSA-N	246.694	-0.269	50	10	BBGE	
NNC(=O)NC[C@@H]1CCOC12CCOCC2	1988798845	GCWDIEAFDNBIDI-QMMMGPOBSA-N	229.280	-0.255	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@@H]1C1CCOCC1	1992988107	KYMFZKMSBBMRSK-BDAKNGLRSA-N	227.069	-0.823	50	10	BBGE	
CC[C@@]12CC[C@@](C(=O)NNCCO)(CO1)C2	1993691494	GHPDIEGLSMQJFO-QWRGUYRKSA-N	228.292	-0.051	50	10	BBGE	
CN(CCOC(F)F)CC(F)(F)C(=O)NN	1993959769	PUDWPLCUAZNBPP-UHFFFAOYSA-N	247.192	-0.217	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@@H]3C[C@H]32)nc1	1995201682	YJLNJDREQBSHSP-SZEHBUNVSA-N	219.049	-0.061	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)[C@H]2C1	1996607153	AOVUNHMECSPESG-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
CCCC[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1998132754	JQICZBQNCBJPHM-HTQZYQBOSA-N	245.084	-0.145	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN([C@H](C)CC(=O)NN)C1	2001045556	IOHGUPLEQUMLTN-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](CCOC)COC	2001430116	XDIDBJZYVKLVRB-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@]1(C)CO	2003267142	HYXCPDGZRLTYIT-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
Cc1cnn(C2CN([C@H](C)CC(=O)NN)C2)c1	2003904436	HGMREPQGKOMHGQ-SECBINFHSA-N	237.307	-0.183	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@@H]2C)c1B(O)O	2004974981	SBVZZIPHFIUKFV-IONNQARKSA-N	235.096	-0.300	50	10	BBGE	
CC[C@@H](C)Cn1cnc2c(B(O)O)ncnc21	2007065026	QHKMVIDSGAAOHP-SSDOTTSWSA-N	234.068	-0.448	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Cn1cccc(B(O)O)c1=O	2008844137	KLWNMTFYPPNJPT-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CCO[C@H]2C1	2012760100	BFPRRRXBUIQOQM-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C2(O)CC2)C1	2013928620	LZYKWWAYNWZEFB-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CCCO1	2019213816	ODNMBOBLEJQHDQ-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1COCC1(F)F	2020349059	QZIPAESIXPISBR-SSDOTTSWSA-N	244.990	-0.826	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@H]1[C@H]2CO	2024085780	HUHBYZKOWDRKHH-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H](C)COc1ncc(B(O)O)cc1C	2026074906	QFAHDIGAGPQETG-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@@H]1C[C@@H]1C(=O)NN	2028050446	IBCCCVLVKYPIHT-UWVGGRQHSA-N	246.270	-0.346	50	10	BBGE	
Cc1cc(OCc2cn(C)cn2)ccc1B(O)O	2034036787	HFNJMMJVACDLTQ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC3(CC3)C2)n1	2052620885	ZHKPIMCQNUACAE-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1cncnc1	2058408713	QXBRSKHQKVUSSD-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
N#Cc1cc(F)c(B(O)O)c([N+](=O)[O-])c1	2060184904	CVPFAGHIIYPAHI-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cn1ccc(CC(=O)N[C@H]2CCC=C2B(O)O)n1	2076082538	UYXOEKWKLZJRHH-JTQLQIEISA-N	249.079	-0.820	50	10	BBGE	
C[C@H](C(=O)NN)N(C)c1cccn(C)c1=O	2210282313	VNBVVOCFGQOZHR-SSDOTTSWSA-N	224.264	-0.800	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@H]2C)cc1B(O)O	2212604991	VXELQBVQSIWDQH-XCBNKYQSSA-N	220.081	-0.086	50	10	BBGE	
C#C[C@@H](CC)Nc1cc(B(O)O)c(C)cn1	2212605196	ZGLMXZOXEADGQI-VIFPVBQESA-N	218.065	-0.106	50	10	BBGE	
COC[C@@H](COCC1(C(=O)NN)CCC1)OC	2216535329	ZBJXDNGNSSFXLD-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
OB(O)c1ccnc(NC23CCN(CC2)C3)c1	2217182347	CLGUNTIEMZKGPP-UHFFFAOYSA-N	233.080	-0.979	50	10	BBGE	
CO[C@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2217184696	RAJBVARDVXVXNX-BDAKNGLRSA-N	237.068	-0.864	50	10	BBGE	
COC[C@@H](C)CCOc1cc(B(O)O)ccn1	2217186643	MTCTXKDVOLGEMK-VIFPVBQESA-N	239.080	-0.187	50	10	BBGE	
Cc1ccn(Nc2nccc(B(O)O)c2F)c1	2217187500	ZNWOWGOHZCSLMH-UHFFFAOYSA-N	235.027	-0.114	50	10	BBGE	
CC[C@@H](CCO)CNc1cc(B(O)O)ccn1	2217194868	DNVDZCOCWUDOLZ-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
CC(C)COCCNc1ncccc1B(O)O	2217202748	LMRMVJBQKOVPFG-UHFFFAOYSA-N	238.096	-0.154	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C(F)(F)C23CC3)c1	2217205152	UMYPSRLLNKZYBQ-QMMMGPOBSA-N	240.018	-0.029	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CN[C@H]3CCC[C@H]32)c1	2223628186	POVULVOIIZLZEG-OUAUKWLOSA-N	247.107	-0.686	50	10	BBGE	
CN1CC[C@@H](Nc2cc(B(O)O)ccn2)C1(C)C	2223628224	QCDDNOKNVICOKC-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C1CCNCC1	2223633319	VFQNEYOJQIBXFP-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223635294	VIYRGBJLFDNVII-DEKFOEGESA-N	247.107	-0.718	50	10	BBGE	
Cc1c[nH]c(=NCCc2cocn2)cc1B(O)O	2223650631	OTFACEALYCZDFI-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
CCN(OC)C(=O)[C@H]1C[C@H](B(O)O)C1	2241474461	DIBQWHFAIFGIAR-LJGSYFOKSA-N	201.031	-0.351	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C(F)(F)F	2241558560	HHSNTMHDUBKAQF-UHFFFAOYSA-N	246.981	-0.455	50	10	BBGE	
COCCN(C[C@H](C)O)S(=O)(=O)CCl	2242095458	VEPDHLLAOPMNOH-ZETCQYMHSA-N	245.728	-0.158	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2243350236	XXKOUDUSFGNSQC-ZCFIWIBFSA-N	223.037	-0.428	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ncsc1B(O)O	2243358847	LIXPELCELJXSCG-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
CC[C@H](CN(C)C(=O)C1(B(O)O)CC1)OC	2243363397	GEKPQNMPVXQELF-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
CCC1CN(C(=O)c2sccc2B(O)O)C1	2243377356	YBIONCMHGHJSIC-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
COC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243383109	UKWQUJLQWNLZIM-QPIHLSAKSA-N	227.069	-0.467	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243390938	DIKFNHYWZVEBAB-CIUDSAMLSA-N	226.085	-0.988	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392212	RZWLMRYICYLPQJ-JBDRJPRFSA-N	227.069	-0.467	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)C1COC1	2243396080	HDPJDZSPRMBVDG-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
Cc1ocnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243396395	LQRVFGWTYRQNAK-NKWVEPMBSA-N	224.025	-0.538	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CSC[C@H]2C1	2243414613	FAGHBFBJZNRBKF-BGZDPUMWSA-N	241.121	-0.329	50	10	BBGE	
CNC[C@H](C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243415007	MHSHTTYHBANYSD-CIUDSAMLSA-N	228.101	-0.694	50	10	BBGE	
C=C=CCC(=O)NCc1cc(B(O)O)cs1	2243678712	MVIHRCITKSLWAG-UHFFFAOYSA-N	237.089	-0.225	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)C[C@@H](C)O	2247731979	BOCIVOCQIRYUFZ-DTWKUNHWSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@H]1COC2CC1C2)C1(B(O)O)CC1	2247755413	IBZPWNCHLXGFEF-MGURRDGZSA-N	239.080	-0.465	50	10	BBGE	
O=C(NCCOCCC1CC1)C1(B(O)O)CC1	2247756032	KTQKZWGQDVFPSU-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
O=C(NCC1=CCNCC1)C1(B(O)O)CCC1	2247758954	XUEVJWMLSYSIDM-UHFFFAOYSA-N	238.096	-0.581	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1CNC(=O)C1(B(O)O)CC1	2247763174	MANXIGBTJWUCAM-SFYZADRCSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786690	FDGDHRULOLANTF-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
N[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C12CCC2	2247798092	QBTXAHJTWSZUHR-XAVMHZPKSA-N	238.096	-0.765	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247803690	CPXPRJCGBDWXJP-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
CCN1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806006	COQVYOLWPQISAU-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)C2CC(B(O)O)C2)C1	2247854828	IXBMBTGVDHRVQW-RZEHBIPHSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ccoc1B(O)O	2247866591	OQNQPTXSIYCNBW-ZETCQYMHSA-N	235.048	-0.511	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)cn1C	2247874870	QHTDDPAZUWUEJT-RDDDGLTNSA-N	236.080	-0.767	50	10	BBGE	
C[C@@H]1OC2(CNC(=O)[C@@H]3C[C@@H]3B(O)O)CC1C2	2247887488	OQXDGPSDYCXXAB-JKJOQYEPSA-N	239.080	-0.467	50	10	BBGE	
C[C@]1(CNC(=O)C2CC(B(O)O)C2)CCOC1	2247891952	QXSGXYCWSZUXKY-NWGYLPEXSA-N	241.096	-0.218	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247900131	UFAFTTDMFHIODS-SVSWQMSJSA-N	238.096	-0.813	50	10	BBGE	
CC(C)[C@@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2248577562	OGYKTAXMWDWPAP-SECBINFHSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H](C(=O)NC1CC1)N1CCC(B(O)O)CC1	2249378724	QMDFCDITWUWQSP-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(F)CC1C2	2249416312	PPWCUVCGTZHGLI-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
C#CC1(NC(=O)c2sccc2B(O)O)CCC1	2250673486	CJFBNNYVSZIGLX-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ccncc1B(O)O	2255443795	DZSJTMVNDCOYMS-UHFFFAOYSA-N	247.063	-0.959	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C1CCC1	2255452450	JCUREYWFIPZAOW-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255462907	BKCZRQIUKCACRK-AYMMMOKOSA-N	248.091	-0.530	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1C[C@H]2C[C@H]2C1	2255511743	OFIYCCQHVBZFAA-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ncc(C)cc1B(O)O	2255556912	WYSJOVSJEYGAJW-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
CN(C)c1ccncc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2255775077	UPAAGAVIBDRPIT-SFYZADRCSA-N	249.079	-0.051	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ncc(B(O)O)cn2)[C@@H]1C	2255781347	MESZTPYPOOIGAE-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)cc2O)C1	2255939703	CIERRSIMPRINBR-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cc1O	2255956910	ISMMFDXNQZCBDW-YUMQZZPRSA-N	247.059	-0.790	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1nccnc1B(O)O	2256055384	IGYDFNIBECXFQK-YUMQZZPRSA-N	249.079	-0.925	50	10	BBGE	
C=C1CCN(C(=O)c2ncc(B(O)O)cc2C)C1	2257493229	AWVZTTHNMUMORA-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]2C1=O	2298165363	WARSIBIWWCEJMT-YWIQKCBGSA-N	237.259	-0.993	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369647	AMWKBKXJJQQOCL-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]2CC[C@@H]21	2298369938	JNVVIMQZJXVYOS-DOLQZWNJSA-N	238.096	-0.846	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@H](C1)C2(F)F	2298371787	VZEAKQXKILQCFJ-OOJXKGFFSA-N	245.034	-0.037	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@@H]1C1CC1	2298374800	NHLFYUUSZKMZPA-JLIMGVALSA-N	239.080	-0.779	50	10	BBGE	
NC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377178	HGZAGXFAMMQQSO-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	2303097240	AHDWVJJKARWHOQ-ZJUUUORDSA-N	242.128	-0.304	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12COC[C@H](C1)C2	2303115202	QZNSPSHHUNRXIU-QXEWZRGKSA-N	239.080	-0.512	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CNC[C@@H]1F	2303695772	GIRUZSXZWUOYNC-YUMQZZPRSA-N	244.075	-0.848	50	10	BBGE	
C[C@@H]1NCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303854744	GLEDRLKDUYWXNJ-IMTBSYHQSA-N	240.043	-0.970	50	10	BBGE	
CN(C[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2307467860	BJYGYVRXMDXYDA-GUBZILKMSA-N	237.064	-0.972	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]2(N)CC[C@@H]3C[C@@H]32)CC1	2309085787	WRARMEQSDBDWJV-GBIKHYSHSA-N	249.314	-0.009	50	10	BBGE	
CN(C[C@H]1CCO1)c1ccc(B(O)O)cc1C#N	2318665819	RLSIXIVLVHNIMH-LLVKDONJSA-N	246.075	-0.537	50	10	BBGE	
CC(C)(C)OC(=O)C[C@H](N)/C=N/NC(N)=O	34455924	SYDQNOWIHWGBBF-XDZJJNIASA-N	230.268	-0.300	50	10	BBGE	
COCCN(C(=O)C(=O)NN)[C@H](C)C1CC1	42690482	FKDMWZOZPKORGX-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
CC(C)OCCCNC(=O)CCC(=O)NN	58840601	KZDPQXNWERXINV-UHFFFAOYSA-N	231.296	-0.312	50	10	BBGE	
NNC(=O)[C@H]1CCCN1C1CCNCC1	69635728	UNYOSUCCLYUWSW-SECBINFHSA-N	212.297	-0.807	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)CCCCl	70910074	BLDNBVUYNUBXSN-LURJTMIESA-N	223.656	-0.345	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)OC[C@@H]1C	82467601	ZHOCFRSOKZXKFO-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
CC1(C)CC(=O)N(CCC(=O)NN)C(=O)C1	82471676	GUIXNXGDIHOAQW-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
NC(=O)CCCNS(=O)(=O)CCl	82512414	MJNZPQSXHLFAFL-UHFFFAOYSA-N	214.674	-0.632	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(O)CC1	86313268	ZXVFWEGRBDDORI-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CN(CCS(C)(=O)=O)S(=O)(=O)CCl	86855558	MOYCUOHXVNIROD-UHFFFAOYSA-N	249.741	-0.511	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)C(=O)NN	113345891	AUGDGKLCCMBSFJ-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
CC1(C)[C@@H]2C(=O)N(CCCC(=O)NN)C(=O)[C@H]21	113667803	AYRNBDHNABHBOO-YUMQZZPRSA-N	239.275	-0.603	50	10	BBGE	
Cc1cn(NC(=O)Cl)c(=O)[nH]c1=O	147534814	PXSUPCALCDJGKV-UHFFFAOYSA-N	203.585	-0.253	50	10	BBGE	
CCN(CCC(=O)O)C(=O)NN(C)C	149047740	NLRKLHDSSRRGGF-UHFFFAOYSA-N	203.242	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(=O)NCC(C)C	158904112	WCMKUJKIVNNAJT-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
CS(=O)(=O)CCNC(=O)N(CCF)N=O	196716915	VFBJRDIWOFKCBI-UHFFFAOYSA-N	241.244	-0.307	50	10	BBGE	
COC[C@@H](C)OCc1ccccc1B(O)O	203551710	YVLANRXUOIVAFY-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
NC[C@@H]1CCN([C@@H](C(=O)NN)c2ccccc2)C1	216306477	VOHTYEXHVIUELI-CMPLNLGQSA-N	248.330	-0.002	50	10	BBGE	
OB(O)c1cccc([C@H](O)C(F)F)c1	223414572	CZRFQLGQCWZIFC-ZETCQYMHSA-N	201.965	-0.335	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H](O)C1CC1	232299591	UAZOQWGGTNDKNB-SSDOTTSWSA-N	227.713	-0.085	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC([C@@H](C)O)CC1	234706099	PSMNAPNXPOSHNG-SCZZXKLOSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](Sc1ncco1)C(=O)NN	234715867	ZMBIXPDYMWGFBR-YFKPBYRVSA-N	217.250	-0.228	50	10	BBGE	
O=C(CCl)N[C@@H](CC#CCO)C(=O)O	238674268	BHJXEPNLFHTHQI-LURJTMIESA-N	219.624	-0.820	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCCN2C[C@@H]1C	251199283	GDZYUBXKQCJUAD-HBNTYKKESA-N	240.351	-0.077	50	10	BBGE	
CNNC(=O)c1ccc2oc(=O)n(C)c2c1	259029634	RDOVMUGXYMAWJI-UHFFFAOYSA-N	221.216	-0.004	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)O	306638684	GUXLMRAQUOWWDV-VQVTYTSYSA-N	213.237	-0.423	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@](O)(CO)C1	306738814	BXTNJFQENCSHQN-POYBYMJQSA-N	207.657	-0.431	50	10	BBGE	
C[S@](=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	307613736	MGKATTWEKCXWTE-NWWTUURKSA-N	231.726	-0.726	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1C[C@H]1CO	307761316	YWBDBWJZZBYDLA-WHFBIAKZSA-N	244.110	-0.361	50	10	BBGE	
NC(=O)N/N=C1/C(=O)Nc2ccc(N)cc21	309055943	MTFHQXBLNFWNOA-UHFFFAOYSA-N	219.204	-0.407	50	10	BBGE	
Cc1nccn(Cc2ccoc2C(=O)NN)c1=O	381274803	SNYVRVDLVJXJEM-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC[C@@H](O)C(=O)NNc1cc(Cl)[nH]c(=N)n1	381634429	NSFFEYWPTDOAIX-SCSAIBSYSA-N	245.670	-0.243	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC(C(N)=O)C1	382060527	DWARIKWYTYEQSA-JTQLQIEISA-N	248.286	-0.865	50	10	BBGE	
Cn1ncc(COc2ccc(B(O)O)cc2)n1	383654571	FFZJEPXCAFROEP-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CC(=O)NNC(C)=O	385900526	OUOVJLNTFZBJAH-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388232245	YHWJUPYBNBIOGG-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
Nc1c(C(=O)O)ccc2scc(B(O)O)c12	396248329	USHOXLQSQFIQKN-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CN(C)c1ncc2cc(B(O)O)ccc2n1	398838018	JGDKYQHZBVNZPA-UHFFFAOYSA-N	217.037	-0.624	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)C[C@@H](C)C1	401691937	GTZAGCVEWPEJAO-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
CCN(C)C(=O)NCc1cccc(B(O)O)c1	405047253	AODSRQDUFKEQMA-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
COC(=O)NNC(=O)CCc1ccnn1C	495540661	NRBXQZGKNZPTNW-UHFFFAOYSA-N	226.236	-0.260	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@](C)(CO)COC	689813566	YWWQXKISZYGMEA-WPRPVWTQSA-N	233.312	-0.916	50	10	BBGE	
CC(C)(C(=O)O)C(=O)N1CCC(O)(C#N)CC1	692168809	YSEWGVQWTUSATF-UHFFFAOYSA-N	240.259	-0.026	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2CC1(CO)C2	694583937	WKSHGFYYTMCEKA-PCWJGIJCSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CCCN(CC(=O)NN)[C@@H]1CCO	697197842	CLPWKRFKSCSSCI-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CN1CCOC[C@H]1CNC(=O)NC(=O)CCl	700171363	XEMRCGCPMIMQOM-SSDOTTSWSA-N	249.698	-0.618	50	10	BBGE	
CO[C@@H](CN(C)C[C@H](C)C(=O)NN)C1CC1	701421868	OYNYHGBCKWQWCJ-WPRPVWTQSA-N	229.324	-0.031	50	10	BBGE	
CCn1nnnc1S[C@H](C(=O)NN)C(C)C	706553793	RTCZOCKHIVLLKK-LURJTMIESA-N	244.324	-0.200	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)CCCl	718216857	GYSLIUVALHQVKS-ZCFIWIBFSA-N	211.670	-0.861	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723022332	OGBCNMGGWLTQLY-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@@H](F)C(=O)NNC(=O)[C@H]1COCCO1	784125970	QGRFVCXWNOOHNZ-HTQZYQBOSA-N	248.254	-0.457	50	10	BBGE	
O=C(NN=C1CCOC1)[C@@H]1CCc2nncn2C1	793143661	NWXCZZIPZADHGF-MRVPVSSYSA-N	249.274	-0.267	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@H](C)NC(N)=O	848055762	HQRYRNRUFMXTKB-YFKPBYRVSA-N	232.240	-0.837	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	855017056	FQEADPXNDLSDCM-LURQLKTLSA-N	240.259	-0.752	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)COCCOC	869903710	GFXZGVUTLGBARG-RKDXNWHRSA-N	244.291	-0.157	50	10	BBGE	
COC1CCC(C=NNC(=O)C(N)=O)CC1	1118889780	UAKCZUCDHQCOSJ-UHFFFAOYSA-N	227.264	-0.221	50	10	BBGE	
CCNC(=O)NNC(=O)CCN1CC[C@H](F)C1	1626812898	OBYNLECGUHQVTH-QMMMGPOBSA-N	246.286	-0.229	50	10	BBGE	
Cn1nnc(C(=O)NNC(=O)C2CCCC2)n1	1629028405	YQUNKSFJHITSEH-UHFFFAOYSA-N	238.251	-0.839	50	10	BBGE	
CCC(=O)N[C@H](C)C(=O)NNc1ccn(C)n1	1638665772	NZPFBVXUVRABDD-SSDOTTSWSA-N	239.279	-0.222	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@@](C)(O)C1	1877857099	FUYQNNOTJAIVRF-OOZYFLPDSA-N	221.684	-0.042	50	10	BBGE	
OCC1(CO)C[C@H](Br)[C@H](O)C1	1880519317	GRZXRFUWXIQZQR-NTSWFWBYSA-N	225.082	-0.124	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H](CO)[C@@H](C)O	1880627829	HDXRQGSRLSWNDV-JKUQZMGJSA-N	240.097	-0.372	50	10	BBGE	
CCN(CC)CCO[C@@H](C)C(=O)NN	1884749203	GYBNOTKUQUKOJR-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
OB(O)c1cnc(SCC2CC2)nc1	1885052969	SHUJNMJDUHNFNH-UHFFFAOYSA-N	210.067	-0.342	50	10	BBGE	
CCN(CCF)C[C@@H]1C[C@@H]1C(=O)NN	1886422307	AYNMVLFXPMQVQI-YUMQZZPRSA-N	203.261	-0.096	50	10	BBGE	
CS(=O)(=O)NCCS(=O)(=O)CCCl	1886694998	QBZWCXGAARZVDX-UHFFFAOYSA-N	249.741	-0.811	50	10	BBGE	
C[C@@H](CO[C@H]1CO[C@H](C)C1)C(=O)NN	1888720937	HPPBNXOJKHXLIU-XLPZGREQSA-N	202.254	-0.194	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@H]2Cl)[nH]c1=N	1892905898	WNEWVDCRLOEHMT-CRCLSJGQSA-N	201.661	-0.311	50	10	BBGE	
CN(CCC(N)=O)C(=O)C=CC(=O)Cl	1893418144	WSNIIXWBIFNYNE-UHFFFAOYSA-N	218.640	-0.358	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@@H]2CCCO[C@@H]21	1897140815	YIBUBZTULMUSIZ-YIZRAAEISA-N	225.053	-0.904	50	10	BBGE	
C[C@@H](COCCO[C@H]1CCOC1)C(=O)NN	1901437027	VBOCKCZKEVIBIC-IUCAKERBSA-N	232.280	-0.566	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@@H](C)CCCC(=O)NN	1901766635	YNEOYZQKHXSQOE-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@@H](C)C(N)=O	1901766641	VKDHHHBVCVYUMR-YUMQZZPRSA-N	230.312	-0.659	50	10	BBGE	
C=C(CN(C)CCOC(F)F)B(O)O	1902283385	XJBIEQGMFOKIIZ-UHFFFAOYSA-N	209.001	-0.274	50	10	BBGE	
CCC#CC(=O)Nc1ccc(B(O)O)cn1	1902334085	JDHWAOIOHBXSSL-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
CS[C@@H]1CC[C@@H]1Oc1ncc(B(O)O)cn1	1904989257	SZOGQXZNTITITL-JGVFFNPUSA-N	240.093	-0.571	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@]2(CO)C1)C(=O)NN	1910387332	MSKBFRAUGQBKTR-JOYOIKCWSA-N	241.335	-0.293	50	10	BBGE	
CCC[C@@H]1NC(=O)N(C[C@H](C)C(=O)NN)C1=O	1912214798	XKGKSBFUBQEPOX-BQBZGAKWSA-N	242.279	-0.667	50	10	BBGE	
CC[C@@H]1CCN([C@H](C)C(=O)NN)CCO1	1913634561	LRLLDVWZTOOXAU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CN(C)NC(=O)c1cncc(C(=O)O)c1	1922314988	APHLIBIPQXUNFA-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
C#CCNC(=O)[C@H](C)NNC(=O)C(F)(F)F	1923438993	PRWVAONIXDFDNG-YFKPBYRVSA-N	237.181	-0.693	50	10	BBGE	
C[C@@H](NS(=O)(=O)C(Cl)Cl)C(N)=O	1923727023	UKSREWBJCWVPAD-UWTATZPHSA-N	235.092	-0.459	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](OCC(N)=O)C1	1928133302	SPNFXKDMIVAPNM-HTQZYQBOSA-N	231.683	-0.306	50	10	BBGE	
C[C@H]1C[C@H](C)N(CCOCC(=O)NN)C1	1928179185	NIGYFKNPOHQLOM-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
Cc1cc(C)n(CCOCC(=O)NN)n1	1928181786	RHINFCMWUYZTCE-UHFFFAOYSA-N	212.253	-0.494	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCO1	1928674949	GYXZUZBQXILWHC-SSDOTTSWSA-N	203.242	-0.981	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(CO)C1	1929743849	VIBDPRVZYXANRQ-SECBINFHSA-N	215.297	-0.685	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)C[C@@H]1O	1935929574	DLCYXVLEYAWUJM-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccnc1[N+](=O)[O-]	1936094903	RFUQHSYKVMTQHI-WDSKDSINSA-N	225.208	-0.583	50	10	BBGE	
CCN(C)[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	1939075324	NULGWHDDCMCDLP-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCn1nncc1CNC(=O)NC(=O)CCl	1939608519	UFWWDVDZHHOPAF-UHFFFAOYSA-N	245.670	-0.137	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1941085720	FJUXGMLLULRLKA-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941087147	AQFMVXHLWPGOBM-RCWTZXSCSA-N	241.335	-0.437	50	10	BBGE	
CC1(C)COCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1942416953	WYSDHNVCSCILRH-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)CCOCC(=O)NN	1944297435	FQAFURGDOFCAMA-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCC2)CC[C@@H]1CO	1946679204	UMPOKHJJUGCKIN-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCN(C)CC2)C1	1947143141	WFVFARMWXHYSPP-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC(C)(C)c1cc(CNC(=O)C(=O)NN)on1	1947294022	WXGWGQQFTLTAGM-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@@H]1COCCCO1	1948415362	DQAHMIUCIRZPDL-KXUCPTDWSA-N	244.291	-0.566	50	10	BBGE	
CC[C@@H](C#N)S(=O)(=O)NNC(C)=O	1954221043	ZJJHZPKAYHMJJB-LURJTMIESA-N	205.239	-0.741	50	10	BBGE	
CC(C)[C@@H](O)CN(C)CCC(=O)NN	1956483944	CCBVIKCCYCAIJB-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H]1CC[C@H](CCN(C)CC(=O)NN)O1	1958880414	FPGOASPKYPGKGV-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@H]1CC[C@@H]1NC(=O)C(=O)NN	1959176200	JARFBCAWXHOHMQ-SFYZADRCSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1960963072	FPFODDGVBIIJIB-HLTSFMKQSA-N	212.297	-0.857	50	10	BBGE	
CCN(C)C[C@@H]1CCN(CC(=O)NN)C1	1961278780	XWBVMJNKKSEZFX-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
CCc1ncc(S(=O)(=O)NNC(C)=O)[nH]1	1962323760	FPMKDQRXFGECLF-UHFFFAOYSA-N	232.265	-0.699	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CN2CC[C@H]1C2	1976088532	YVJIVEIBBFOUQM-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@H]2C[C@@H]21	1980228022	KLRMXXSMUVYIHA-IUCAKERBSA-N	224.308	-0.855	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)[C@H]1CCCO1	1981394486	YPEXGMGARKMWPV-RNFRBKRXSA-N	231.252	-0.606	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3C[C@H]32)nc1	1981413084	BBNKHGZQDJCBSE-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@@H]2C[C@H]2C)n1	1981531618	YJXRNDSSESXPBK-GMSGAONNSA-N	220.081	-0.086	50	10	BBGE	
O=C1NC[C@@]2(CCN(CCOCCCl)C2)N1	1983848794	WHNCZLMJTHGYNB-SNVBAGLBSA-N	247.726	-0.001	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCNC2=O)C1	1985357157	MLQMTZRQQMPFCT-HTQZYQBOSA-N	226.280	-0.582	50	10	BBGE	
CO[C@H]1C[C@H]1COc1ccc(B(O)O)cc1	1987767834	AIJJYAXGKFSXHU-KWQFWETISA-N	222.049	-0.220	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(C)cc(N)c1	1989371170	KGYISHFYBFASDW-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
C=C[C@@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1990540440	RYJQMYVRWCOYQJ-GXSJLCMTSA-N	227.308	-0.376	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@H]1COC[C@H]1O	1991705285	CHBACPZLKYZNBY-PPYPBTKYSA-N	247.678	-0.178	50	10	BBGE	
O=C(CC1CCSCC1)NCC#CB(O)O	1992147157	ZRAYAWXMHSDMNV-UHFFFAOYSA-N	241.121	-0.349	50	10	BBGE	
Cc1cccc(CNC(=O)C(=O)NN)c1C	1994015397	UCUOTTOCBMVRKQ-UHFFFAOYSA-N	221.260	-0.090	50	10	BBGE	
CC(C)COC[C@H]1CCN(C(=O)C(=O)NN)C1	1996907144	VBCRDXZFPLHMIX-VIFPVBQESA-N	243.307	-0.503	50	10	BBGE	
CCO[C@H]1C[C@@H](OC)CN(CCC(=O)NN)C1	2001046987	SSIMPEIMBPPZMU-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnn2c1CCC2	2002485326	HBYVBFUYTWIPMI-UHFFFAOYSA-N	237.307	-0.359	50	10	BBGE	
CCC(F)(F)CN(C)c1ncncc1B(O)O	2004916953	RWTWWEFSDKLSPZ-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCOC2)nc1	2004954130	ZIPXKINUXUQWRH-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
Cc1ccnc(Sc2ncncc2B(O)O)n1	2005004747	JBLQNBHFSQEWQQ-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(CCO2)C1	2005014653	OISRXCXYAYEOMZ-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CC(C)(F)C1CN(c2ncc(B(O)O)cn2)C1	2009075265	IOFZGVVTUSECAO-UHFFFAOYSA-N	239.059	-0.659	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3COC[C@H]32)n1	2013468656	OQDGDOWOENEGGK-HTRCEHHLSA-N	238.247	-0.891	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2(F)CC1C2	2014930849	YYAPIHLJFQUFJN-UHFFFAOYSA-N	240.018	-0.409	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2028437931	WLXOIJWHQBUVSZ-DTORHVGOSA-N	246.075	-0.150	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@@H](C3)C2)c1B(O)O	2052557278	SANCXRFTBWNYBE-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
O=Cc1c([N+](=O)[O-])ccc(B(O)O)c1Cl	2060131800	PDQJYLSILWBQKN-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
O=C(CN1CCC12COC2)NNc1ccccn1	2075109738	YHVXVAYMVYVOTI-UHFFFAOYSA-N	248.286	-0.001	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@@]1(C)CO	2211780119	APPGXNRGACJPJV-QXEWZRGKSA-N	227.308	-0.376	50	10	BBGE	
OB(O)c1ccnc(N2CCCCO2)c1F	2212603878	KHDJDBFFDUVDKI-UHFFFAOYSA-N	226.016	-0.568	50	10	BBGE	
C[C@@H]1SCC[C@H]1Nc1ncc(B(O)O)cn1	2212613149	SLSULQJLEHDLTG-POYBYMJQSA-N	239.109	-0.538	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2213355495	LNSZVDXFMRRYQS-BFLSOPEQSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1csc(Cn2cnc(C3CC3)n2)c1	2214513185	IWXBNYPNRPCNJA-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
C[C@@]1(N)CCN(Cc2cccc(B(O)O)c2)C1	2214600968	WWHKUBNVASCQPN-GFCCVEGCSA-N	234.108	-0.711	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CCC1	2216491435	VTJQBKVKNPCIPB-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2216547375	MKZAHOZKXRIGRP-ILWJIGKKSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1ccnc(NCc2ccnnc2)c1	2217180101	FIEPXGXGLFUTJU-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CC(C)C1(Oc2cc(B(O)O)ccn2)CNC1	2217189857	JOSCKJFSLADIAR-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@](C)(N)CCOc1ccc(B(O)O)cn1	2217190806	GRTKLXBZSQCKKJ-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
CC[C@H](CN(C)C)Nc1ncccc1B(O)O	2217200603	UKAIOBVCSKVGQE-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
C#CCN(c1ncc(B(O)O)cn1)C1CCC1	2217201042	NWDRROQCRHHWLF-UHFFFAOYSA-N	231.064	-0.852	50	10	BBGE	
CN1CC[C@@](C)(Nc2ncccc2B(O)O)C1	2217203784	ADSIEJKJNNUEQU-LLVKDONJSA-N	235.096	-0.733	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@H]1C[C@H]1C(=O)NN	2217259357	SWYOJOKJEUVIOD-RNFRBKRXSA-N	240.238	-0.683	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@H]3COCC[C@@H]32)c1	2223627702	NCLCNCDDHHWDNY-MXWKQRLJSA-N	248.091	-0.544	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCNC23CCC3)nc1	2223645691	BLTHEZIPKYACPM-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
C#C[C@@H]1CCCCN1c1nccc(B(O)O)c1F	2223648649	ODOVNKZSADETSQ-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)CC12CC2	2223674254	JZLIAXWSHBJFCM-VIFPVBQESA-N	248.091	-0.745	50	10	BBGE	
N=c1[nH]nc(C(=O)N[C@H]2C[C@H](Cl)C2)[nH]1	2241654458	XIVLATKBCGOHQL-JPYJGEKTSA-N	215.644	-0.283	50	10	BBGE	
C[C@H](OCC12CC(CO1)C2)C(=O)NN	2242182487	SMOHYGXMJJFOBC-PTNSZRNDSA-N	200.238	-0.440	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)C1(B(O)O)CCC1	2243348277	WKVPFZVSVIERIP-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2243350282	YOIOCNNEADBLEQ-ZCFIWIBFSA-N	222.053	-0.777	50	10	BBGE	
CC[C@](C)(NC(=O)C#CB(O)O)C(F)(F)F	2243356759	MMGHLBUOQXDZHZ-ZETCQYMHSA-N	236.986	-0.151	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@H]1CF	2243358632	ISNQTKGPMFBWCT-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
CC1(CO)CC(NC(=O)C2(B(O)O)CC2)C1	2243359970	ZASOMIHHAVRDBF-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
CS[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243391397	KGSOSMYZNSBNRY-FKSUSPILSA-N	245.109	-0.904	50	10	BBGE	
N[C@@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2243396821	RDOXOQHWEVUWOI-AMDVSUOASA-N	226.085	-0.811	50	10	BBGE	
O=C(NCCOC1CC1)[C@H]1C[C@H](B(O)O)C1	2243397325	YYKMKMUIRSCRSL-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)O1	2243410220	XHZPXAFNWVHHOS-OCAPTIKFSA-N	227.069	-0.371	50	10	BBGE	
O=C(NCCn1cccc1)C1(B(O)O)CC1	2243410780	HPIRDOWVABQREF-UHFFFAOYSA-N	222.053	-0.389	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1nscc1B(O)O	2243411020	MDSGJHJDPLNYGL-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
CC1(S(=O)(=O)N2CCC(B(O)O)CC2)CC1	2244169170	QHWUNCYWZZCNCR-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2244547830	GJBPJBKDRSTCFF-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)NCCC#CB(O)O)C[C@H]12	2244550744	VPFCBJNEIBUPSJ-FXPVBKGRSA-N	221.065	-0.446	50	10	BBGE	
Cc1nsc(CN(C)C[C@H](C)C(=O)NN)n1	2245050451	ZYYLNMBLYXVYSF-LURJTMIESA-N	243.336	-0.096	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247724548	ZOQSKNPFWSDBLM-KWQFWETISA-N	237.064	-0.122	50	10	BBGE	
CC1(C)COCN1C(=O)c1occc1B(O)O	2247749934	BVGWRLXLPRSGSB-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@@H]1C	2247752112	IOLSRZVLZVUVFG-QMMMGPOBSA-N	233.076	-0.091	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)ccc1C	2247752749	VEJPIRHAYAISSD-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CCN(CCF)C(=O)c1cncc(B(O)O)c1	2247770028	CMHKSSIKQKFQTI-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
NC[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790649	IMYGUGWHBOXQME-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCO[C@H](CF)C1	2247793720	ZNKANBXTUDTECN-IWSPIJDZSA-N	245.059	-0.564	50	10	BBGE	
CCc1ncncc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247797221	HHBGHULIHGPASB-RQJHMYQMSA-N	235.052	-0.160	50	10	BBGE	
CNCCC[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247803811	CTJGCEFQRCODFI-GUBZILKMSA-N	242.128	-0.256	50	10	BBGE	
NCc1ccccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247807762	RXBRKGLKKYACDM-IUCAKERBSA-N	234.064	-0.053	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2247809091	NTRGZXHIINTMIP-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@H]1CCCOC1	2247849071	UVPRTUDMANRZQB-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](CO)C1)[C@H]1C[C@@H](B(O)O)C1	2247858090	ARBMBNJQEHLQBR-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
CCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247860632	ZELGYINIYPXQIV-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C(C)(C)CN1	2247871667	FXDMIHRMRVQGFJ-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2247900015	SEQOBLOWWVPDPS-KGDYZURWSA-N	239.080	-0.921	50	10	BBGE	
CC[C@H](C)C[C@H](NC(=O)C#CB(O)O)C(=O)O	2248586761	GMMFLJFITNHDJO-YUMQZZPRSA-N	241.052	-0.993	50	10	BBGE	
CON(C(=O)c1cocc1B(O)O)C1CCC1	2249410158	MCCJNPZIYXFWMF-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCCCO1	2249416457	RWQFMSJRVMKJGJ-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
Cc1ccc(=NC(=O)C2(B(O)O)CCC2)[nH]n1	2252823901	GWEXYKQUSLAEBR-UHFFFAOYSA-N	235.052	-0.457	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1C[C@H]2C[C@H]2C1	2255513103	LECGRTAWRAKSFD-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
Cn1ccc2c1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)CC2	2255581436	BHBJQHOAOBZCOB-ZJUUUORDSA-N	248.091	-0.227	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1ccc(B(O)O)o1	2255714502	RDJIGKWXXZWELD-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1cccnc1)c1ncccc1B(O)O	2255715925	LXSRSEAQMGYDIA-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C#CCC(=O)N1CCc2c(cccc2B(O)O)C1	2256639236	CAEIJVOAKXBFIH-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1cocc1B(O)O	2258127182	IILGWCLSJGNTQC-VGMNWLOBSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H](C2CC2)C1	2258135649	TULDWNAMKABGNV-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	2298357589	XZMGIIPMVQVMKR-JDDHQFAOSA-N	237.303	-0.083	50	10	BBGE	
C[C@H]1CNCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368464	GIKWPXIWEUMOCR-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
COc1cncnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2299344415	JTPBRALTWAOYMZ-PHDIDXHHSA-N	237.024	-0.713	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@]2(CO)CC[C@H]1C2	2299770277	RGWBSAMNPGJJJK-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](O)CNc1ccc(C=O)c(B(O)O)c1	2301418946	GQEKAMONEVZLKA-JTQLQIEISA-N	237.064	-0.638	50	10	BBGE	
C[C@@H](O)CCNc1ccc(C=O)c(B(O)O)c1	2301421167	QNWHYWMNRXHPLQ-MRVPVSSYSA-N	237.064	-0.638	50	10	BBGE	
CCN(CC)C(=O)CCN1CC[C@@H](B(O)O)C1	2303093684	BTJZAVRQGSYDSL-SNVBAGLBSA-N	242.128	-0.206	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3CC[C@@H]32)ncc1F	2303846938	ABSHSWSAHMOHFH-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
C[C@H]1NCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303857604	GLEDRLKDUYWXNJ-HZGVNTEJSA-N	240.043	-0.970	50	10	BBGE	
CC[C@H](CCO)Nc1ccc(B(O)O)cc1C#N	2317151679	UBIWZMADLDPRFK-LLVKDONJSA-N	248.091	-0.189	50	10	BBGE	
CCN(CCOC)c1ccc(B(O)O)cc1C#N	2317161362	CLTJXVMJICWZFF-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ccno1	2317161810	GJNVZAROEXCYNW-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C=CCN2)cc1B(O)O	2317310706	DRDORUNLAYDGOO-LLVKDONJSA-N	246.075	-0.881	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)ncc1F	2320782002	QPJZHSQNFTXBIE-SDCKUUTBSA-N	248.066	-0.255	50	10	BBGE	
COc1ccc(O)c(C(=O)NNC(N)=O)c1	70044647	ZNXWAHLTRYOEPY-UHFFFAOYSA-N	225.204	-0.286	50	10	BBGE	
CN1CCN(C(=O)CCCl)CC1=O	82774622	PHYCNYGRZUYOCO-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
NNC(=O)CCN1CC(=O)Nc2ccccc21	110919283	YOMCIUKAMQPCGY-UHFFFAOYSA-N	234.259	-0.175	50	10	BBGE	
CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	125226393	WSOMJCSNDPCTPC-CRCLSJGQSA-N	226.685	-0.680	50	10	BBGE	
CN(C)CCN1CCN(C[C@H](O)CCl)CC1	163180060	KGOLWWHVNZDQQZ-LLVKDONJSA-N	249.786	-0.235	50	10	BBGE	
CCCc1[nH]c(=S)[nH]c(=O)c1B(O)O	196501492	MPYQHKUZOVAQEQ-UHFFFAOYSA-N	214.055	-0.935	50	10	BBGE	
N[C@@H](C(=O)N1CCC[C@@H]1B(O)O)C1CCCC1	197127560	QUXVIAHXXPEAMY-NXEZZACHSA-N	240.112	-0.493	50	10	BBGE	
N[C@@H]1[C@H](Br)C[C@@H](C(=O)O)[C@H]1O	199716041	IWDOFPCKEVVRHC-TXICZTDVSA-N	224.054	-0.457	50	10	BBGE	
CCCN(N)C(=O)C(=O)N(N)C(C)C	201305164	OYYFMWOAYJDIKL-UHFFFAOYSA-N	202.258	-0.791	50	10	BBGE	
Cc1ccc(O[C@@H]2CCOC2)c(B(O)O)c1	203528498	DOTVHUJNJCHMBC-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
Cn1cc(Br)c(B(O)O)c1	206161197	ATTBYVSEDNKKBT-UHFFFAOYSA-N	203.832	-0.533	50	10	BBGE	
OB(O)c1cccc(OC[C@@H](O)CCl)c1	215753559	HKTNRUCYYLEEIK-QMMMGPOBSA-N	230.456	-0.655	50	10	BBGE	
CNC(=O)NC(=O)NC(=O)N(C)N=O	238344455	WJPVXPNGEKFPQG-UHFFFAOYSA-N	203.158	-0.642	50	10	BBGE	
C[C@@H](CN1CCN2CCC[C@H]2C1)C(=O)NN	251159111	ZLKVQYUEBOGHJB-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CN(C)C1CCN(c2ccc(B(O)O)cn2)CC1	253183413	KVYWBXBELFOFPB-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
O=C(O)[C@H]1[C@@H]2C(=O)O[C@H]3O[C@H]1[C@@H](Cl)[C@H]23	306295348	HVZSFHUHGUBNBY-IJPQRUJDSA-N	218.592	-0.178	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1cccs1	307005376	DRDFBDUSUBTMHI-UHFFFAOYSA-N	220.275	-0.058	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCCl)C[C@H]1O	307082439	PYFVARAXCKECBA-RNFRBKRXSA-N	227.713	-0.132	50	10	BBGE	
COC[C@@H](C)CN(C)[C@@H](COC)C(=O)NN	309584842	VACXBYPRURWHQO-IUCAKERBSA-N	233.312	-0.794	50	10	BBGE	
O=C(CCCl)N1CCC[C@@](O)(CO)C1	313688961	QBENUQBJMSLHEY-VIFPVBQESA-N	221.684	-0.039	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CC[C@H]1C2	381749578	DKQIIMSYMSMNRO-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(O)(CCC)C1	384156667	QLGARCAIKVZAIG-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSC[C@H]1CO	388146824	FMCMNLZOWOFVCH-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
N=c1nc(CCNC(=O)CCl)o[nH]1	393548487	RGNNPGSZPOFCNG-UHFFFAOYSA-N	204.617	-0.620	50	10	BBGE	
COC(=O)c1cccc(CCC#N)c1B(O)O	396137254	LHTJAIRITUVVHG-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
N#Cc1c(CO)cc(B(O)O)c2sccc12	396212299	BNPWQALRHXYOCS-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCc1cnn(C[C@H]2CC[C@@H](C(=O)NN)O2)c1	402038627	HTXQQWUYWMFBNK-ZJUUUORDSA-N	238.291	-0.017	50	10	BBGE	
CC(C)[S@@](=O)Nc1cccc(B(O)O)n1	404936629	ZSMBIQHQHUKORZ-OAHLLOKOSA-N	228.082	-0.755	50	10	BBGE	
CCOC(=O)Cc1ccc(B(O)O)s1	575447670	FCEKFSJCUXBPSV-UHFFFAOYSA-N	214.051	-0.467	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689157079	CJMNOOJJKKJICU-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1cc(C)cc(B(O)O)c1	690070372	ARTLMWXMSYXBOP-WDEREUQCSA-N	249.075	-0.352	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(C)C[C@@H]1CO	699492072	VSALTHWBPBOORV-DTWKUNHWSA-N	234.727	-0.004	50	10	BBGE	
NNC(=O)CCN1C[C@H](C2CC2)CC1=O	700678132	JDHRCEQHTJFJRC-MRVPVSSYSA-N	211.265	-0.375	50	10	BBGE	
O=C(NCB(O)O)[C@H]1Cc2ccccc2CO1	701933401	YERFEQUKYZPVIB-SNVBAGLBSA-N	235.048	-0.744	50	10	BBGE	
O=C(NCB(O)O)OCC(F)(F)F	701937836	FQCBRVSDBXCQKR-UHFFFAOYSA-N	200.909	-0.713	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCN1CCCC1	703435814	IDTHVUQAPQZXIS-NXEZZACHSA-N	238.287	-0.001	50	10	BBGE	
CCC(F)(F)CN(C)[C@H](COC)C(=O)NN	703501997	MVPICZAYYPRLOH-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
NC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O	705999263	XSCKHVDEKWLWMF-UHFFFAOYSA-N	246.226	-0.159	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)CCCl	717367422	SIRQLIKTNCXNSY-SSDOTTSWSA-N	208.689	-0.346	50	10	BBGE	
C[n+]1cc(C2=NC(CCl)=[S+]C2)[nH]n1	725605405	JAUGMYDTMDPRKQ-UHFFFAOYSA-O	216.697	-0.512	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1=[S+][C@@H]([N+](=O)[O-])C=N1	725700548	CALOTRPHPUMOEL-QWWZWVQMSA-O	236.660	-0.413	50	10	BBGE	
Cn1ccnc1C=NNC(=O)C(=O)N1CCCC1	727257245	IMBRVEHJYZBQAT-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cnn(C)c1	853386738	TTZKXKQJCTZYHI-UHFFFAOYSA-N	247.262	-0.297	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2=CCCC2)nn1	855188630	PKGHVHLMEJOJTJ-UHFFFAOYSA-N	235.247	-0.314	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)C(C)(C)O	1447802022	KCWRKZXYUYFZPJ-UHFFFAOYSA-N	240.263	-0.890	50	10	BBGE	
C=CC(=O)N(C)CC(=O)NNc1ncccn1	1625197578	RFHAXZWHDIAIQT-UHFFFAOYSA-N	235.247	-0.436	50	10	BBGE	
Cc1cc(C(=O)NNc2nc[nH]n2)c(C)nn1	1638766924	JOBSTZFHJKPAEX-UHFFFAOYSA-N	233.235	-0.032	50	10	BBGE	
NCCN(CCN)C[C@@H]1C[C@H]1Br	1877445386	VMWSSFYOZBDSRB-JGVFFNPUSA-N	236.157	-0.011	50	10	BBGE	
NC1CN(C(=O)[C@H]2C[C@@H]2Br)C1	1880434886	VWAVKHUXHLRYTD-WDSKDSINSA-N	219.082	-0.061	50	10	BBGE	
CO[C@@H]1CCNC[C@@H]1C(=O)NN(C)C	1886166702	BKRZPLYJJGIMQL-JGVFFNPUSA-N	201.270	-0.796	50	10	BBGE	
NNC(=O)COCCS[C@@H]1CC[C@@H]1N	1887486442	RNBCELCJDDTMSB-NKWVEPMBSA-N	219.310	-0.784	50	10	BBGE	
O=C(O)[C@H](CO)CNC(=O)[C@@H]1C[C@@H]1Cl	1893446680	PXTFQDPYAXYPJJ-JKUQZMGJSA-N	221.640	-0.577	50	10	BBGE	
C[C@@H](O[C@H]1CCCN(C)C1)C(=O)NN	1895025821	OKWPASIONLTCOK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@H](F)C1	1900454669	NDXXUFKGZDHARO-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cnsc1B(O)O	1900455589	VGZLJHKMSOCQBC-KCQQBQQISA-N	240.093	-0.793	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)[C@@H](C)O	1903010700	SHWLOHZUMPTFAX-NTSWFWBYSA-N	228.032	-0.918	50	10	BBGE	
O=C(C=Cc1ccc(O)cc1)NCB(O)O	1911738780	BNPBAYIAIJWXRZ-UHFFFAOYSA-N	221.021	-0.466	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CC(=O)N1C	1926012612	SKDAKXCLIITXMU-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N(CCC(=O)NN)C1	1928102499	MYYVXNHPYVRLBH-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
CN(CC(CO)CO)S(=O)(=O)CCCl	1930660981	YNFVXIWADCLKJN-UHFFFAOYSA-N	245.728	-0.912	50	10	BBGE	
CO[C@H]1CN(S(C)(=O)=O)CC[C@@H]1N=C=O	1932343595	OXZBBPJTLFQACX-YUMQZZPRSA-N	234.277	-0.629	50	10	BBGE	
CSC1CN(C[C@@H](C)C(=O)NN)C1	1933239631	OFQVHFCQYIFYLT-ZCFIWIBFSA-N	203.311	-0.340	50	10	BBGE	
Cn1[nH]cnc1=NC[C@@H]1COC[C@H]1Cl	1933393997	BWQMABSPBIVMQQ-RNFRBKRXSA-N	216.672	-0.097	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@H](C1)O2	1936086395	VAYUTDUWQZXLOU-DOLQZWNJSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@H]1COCCO1	1940286440	CQJSMIBAWVPCEO-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](CO)C(C)(C)C	1941082713	HSXIBWQFLYJULD-AEJSXWLSSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@@H](C1=O)C2(F)F	1941087640	CMYOYDFTKKZQPK-GBNDHIKLSA-N	245.229	-0.664	50	10	BBGE	
C[C@H](CN1C[C@]23CC[C@@]2(COC3)C1)C(=O)NN	1942762756	VUQZWZIVSRQEQT-USWWRNFRSA-N	239.319	-0.275	50	10	BBGE	
Cc1ncc(OCCOC(C)C)cc1B(O)O	1944010614	GDRQCDNLNCOFLT-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(=O)C[C@H]1C	1944361374	VOVKDTCSQJZOIE-JGVFFNPUSA-N	241.291	-0.547	50	10	BBGE	
COc1ncc(C(=O)NCB(O)O)cc1Cl	1951321691	CKNSHCKKEWUCIB-UHFFFAOYSA-N	244.443	-0.515	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1	1951321842	JESQOZKIDXNZAF-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cc(O)c(O)c(O)c1	1952836222	JSTFLRBBFLNOBP-HTQZYQBOSA-N	210.189	-0.312	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)NN(C)C	1956060030	UHVLUGSCFMUFOB-YUMQZZPRSA-N	200.286	-0.145	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@H]2C[C@H]2C1	1967964107	QPSBRFYYDOYZID-YIZRAAEISA-N	224.069	-0.393	50	10	BBGE	
OC1CN([C@H]2CCN(CCOCCCl)C2)C1	1976097589	QOODHDGHRGEIBU-JTQLQIEISA-N	248.754	-0.007	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@@]3(O)C2)CC1	1980982400	OBBROKWQNITAKT-GZMMTYOYSA-N	225.292	-0.787	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@@H]3C2)nc1	1981412705	XKIYSJHVAFOQKV-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
Cc1ncnc(N(C)CCCF)c1B(O)O	1981445332	HBOSDCOKRAJTAL-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
C=CCCCC(=O)N[C@H](CB(O)O)C(=O)O	1981621007	NNZFVUCQILLLAL-SSDOTTSWSA-N	229.041	-0.615	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@@H](O)[C@H]1C2	1983568530	VGFCCMLFYQORKL-VVULQXIFSA-N	225.292	-0.933	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987555465	BHCWODGWJXMPLL-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COCC[C@@H]21	1989935109	GLCKQCFXTMQLAQ-LPEHRKFASA-N	227.308	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@H](C1)C2(F)F	1990774731	MSFGBWWVKYYOJM-BQBZGAKWSA-N	233.218	-0.649	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@H]2CC[C@H]2C1	1991329313	ISWMOCIIKGJSPW-DTORHVGOSA-N	224.069	-0.394	50	10	BBGE	
C=C(CN1C[C@H]2CN(C)C[C@]2(C)C1)B(O)O	1992153102	LVFBAOLUHWDRGJ-GHMZBOCLSA-N	224.113	-0.562	50	10	BBGE	
O=C1CN([C@H]2C[C@]23CCCOC3)CC(=O)O1	1992214661	OFZVTJNUQYHNHO-KWQFWETISA-N	225.244	-0.059	50	10	BBGE	
CON(C[C@H]1CC[C@H](C(=O)NN)O1)C1CCC1	2000669213	CEUWAOWTFLWBCZ-NXEZZACHSA-N	243.307	-0.060	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)N[C@H]2CC[C@H]21	2002915626	SKYSQLFFGSIZBY-HRDYMLBCSA-N	240.307	-0.892	50	10	BBGE	
CN(c1ccccc1)c1ncncc1B(O)O	2004918985	SOEDXMGZEFNJPD-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
C[C@@H]1COCCN1c1ncc(B(O)O)cc1F	2005014371	KJKNUHFAONNOPI-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
Cn1cnc(C(=O)N[C@@H]2CCC=C2B(O)O)c1	2020062720	UUAUYINCJGIHKD-MRVPVSSYSA-N	235.052	-0.749	50	10	BBGE	
CNCc1cnn(C)c1N1CCC(O)(C#N)CC1	2032631139	SNMJLBNPSMUIBD-UHFFFAOYSA-N	249.318	-0.006	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3CCC[C@@H]32)nc1	2052469411	QLZBBIBNISITFI-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
COC[C@@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	2052473450	SNOQNVUFNACLEJ-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1	2052623511	KGJMRZNCCNTPOZ-YIZRAAEISA-N	249.123	-0.054	50	10	BBGE	
COc1c(Cl)ccc(B(O)O)c1C=O	2060130054	ALRHLASGXVEJAA-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)c([N+](=O)[O-])c1	2060136797	HVACFEJFPPXKQE-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)cc(C)c1O	2077432885	HIUZRWPMTZASNQ-UHFFFAOYSA-N	247.059	-0.246	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)c(F)c1F	2086908942	UWDSRMRVCWBPSB-UHFFFAOYSA-N	229.975	-0.179	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@@H]1O	2211719328	BGXYEZYCRFBPPT-KUXMMMIOSA-N	245.706	-0.329	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(CCC(=O)N2)C1	2212047857	YSNYZARDKIBGOY-UHFFFAOYSA-N	242.662	-0.201	50	10	BBGE	
C=C[C@@H]1CCCN1c1ncccc1B(O)O	2212615271	MKRKFZZEARJTOQ-SECBINFHSA-N	218.065	-0.084	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213882860	GCXSWIKOEOOEJV-OPRDCNLKSA-N	247.314	-0.204	50	10	BBGE	
CN1CC[C@H](COC[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773568	BRDOBVWJSCOQGM-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
Cc1cnc(OC[C@H]2C[C@@H](N)C2)cc1B(O)O	2217168215	SYRQFYGVJDFAKQ-DTORHVGOSA-N	236.080	-0.814	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@@H]1CC1(F)F	2217173727	TYWCTDQXSPVLSX-FSPLSTOPSA-N	243.022	-0.388	50	10	BBGE	
CCN(CCN(C)C)c1cc(B(O)O)ccn1	2217175097	DFRSEFDAASDREM-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](C3CC3)C2)c1	2217179206	HXFOXKVCSSUKDU-SNVBAGLBSA-N	232.092	-0.002	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)CCNC1	2217188891	VHJISDOLZSEXBC-NSHDSACASA-N	236.080	-0.860	50	10	BBGE	
NC[C@@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217191144	IIROFYSCNXIPQM-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
Cc1ncoc1CNc1ccc(B(O)O)cn1	2217195860	AOOSGBZSAXYHKT-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CC1(C)C[C@H](O)CN1c1ccc(B(O)O)cn1	2217196291	DVXGCGVOKZPVCV-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
CC1(C)NCC[C@@H]1Nc1ncccc1B(O)O	2217199305	LKRSEHUXNPFIBQ-VIFPVBQESA-N	235.096	-0.686	50	10	BBGE	
C[C@@](CN)(Nc1ccc(B(O)O)cn1)C1CC1	2217201074	WUEWJWREUWVKPH-NSHDSACASA-N	235.096	-0.699	50	10	BBGE	
C[C@H]1CCN[C@H]1CNc1ccc(B(O)O)cn1	2217201653	FDARSVAJVHIWJM-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
CN(C)C1(CNc2ccc(B(O)O)cn2)CC1	2217201961	GVYBJEGTZHNPLD-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cn(C)cn1	2223629261	TXYYFCLIXDHEDW-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
Cc1cnc(N(C)CCC2CNC2)cc1B(O)O	2223647937	FPLNCHPXSDQTNE-UHFFFAOYSA-N	249.123	-0.884	50	10	BBGE	
NCC1(CNc2ncccc2B(O)O)CCCC1	2223673830	HWYUUOFVFWBPFN-UHFFFAOYSA-N	249.123	-0.308	50	10	BBGE	
CO[C@@H](CCl)CNC(=O)CS(C)(=O)=O	2242441321	RXJPFAHDNGJACG-LURJTMIESA-N	243.712	-0.599	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2coc(B(O)O)c2)[C@@H]1C	2243347128	HSABZCUDYGSPSP-GJVVYLMISA-N	223.037	-0.656	50	10	BBGE	
O=C(NC[C@H]1CCCO1)C1(B(O)O)CCC1	2243347258	KBTFXBBIBGSMGV-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccoc1B(O)O	2243349987	UBTXXVPNAIRVCU-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
CC=CCCNC(=O)c1ccoc1B(O)O	2243350324	ZGRUAXYGNIYHJI-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCC1(F)F	2243357146	RXQOZELDGONVKK-ZETCQYMHSA-N	231.007	-0.352	50	10	BBGE	
C[C@H]1N(C(=O)C#CB(O)O)C(=O)CC1(C)C	2243357592	YTWLYENUMJRFAS-SSDOTTSWSA-N	223.037	-0.825	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)NC(=O)C1(B(O)O)CC1	2243363232	CULSKYXUCSVICN-HTQZYQBOSA-N	229.085	-0.341	50	10	BBGE	
O=C(NCc1ccon1)[C@H]1C[C@@H](B(O)O)C1	2243381179	DBBZUBLIWNLJBS-KNVOCYPGSA-N	224.025	-0.456	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382409	NZFVRKOVOYDLES-BBBLOLIVSA-N	221.065	-0.279	50	10	BBGE	
CN1CCN(C(=O)C2CC(B(O)O)C2)CC1	2243393081	ZXPZJDCZMFGPEQ-UHFFFAOYSA-N	226.085	-0.987	50	10	BBGE	
CCC[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396738	QCNFJMNWEXHTFV-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
CN(C)CCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243396946	SSXUIMMMOAGWBN-DTWKUNHWSA-N	228.101	-0.693	50	10	BBGE	
CC[C@@H](C)[C@@H](CNC(=O)C#CB(O)O)OC	2243401511	SFGDSZALUWRMFK-RKDXNWHRSA-N	227.069	-0.821	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2CC[C@H]1C2	2243404539	PWFICYNYFZECQV-GUBZILKMSA-N	221.065	-0.351	50	10	BBGE	
CC=CCNC(=O)c1ncccc1B(O)O	2243408562	PMMUPLSFPFAOMY-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
Cc1cc(=NC(=O)C2CC(B(O)O)C2)[nH]o1	2243414037	RZJNVKDANZDHIT-UHFFFAOYSA-N	224.025	-0.404	50	10	BBGE	
C[C@H]1CC=CC[C@H]1C(=O)NCC#CB(O)O	2243678122	FFYXMPYTDSDKSY-VHSXEESVSA-N	221.065	-0.280	50	10	BBGE	
O=C(C#CB(O)O)NCc1cnc(C2CC2)o1	2247740244	ICRPKMXBKYZRGH-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C(C)(F)F	2247742374	NVTMOQSHUHWCPX-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
O=C(C#CB(O)O)NCCCc1cccnc1	2247742534	PZWDZLQUDJFXPE-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)cc1CN	2247747570	PHFMGZRYGVIHFS-UHFFFAOYSA-N	232.048	-0.592	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cc(B(O)O)c[nH]2)CC1	2247748166	YZRRMWYGVWWICN-SECBINFHSA-N	234.064	-0.467	50	10	BBGE	
CCOC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247787822	VLKQOWYDCYTBPB-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
Cc1cc(C(=O)NN2CCCC2)oc1B(O)O	2247790178	BJJMJRVCZDNBDP-UHFFFAOYSA-N	238.052	-0.992	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(CN)CCCC1	2247791418	MYGYEWJBSGFBEN-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1CO	2247792797	UXNLSFRXFJXLFC-UTINFBMNSA-N	241.096	-0.674	50	10	BBGE	
O=C(NC[C@H](CO)C1CCC1)[C@@H]1C[C@@H]1B(O)O	2247800701	RSASQGHJHABFND-BBBLOLIVSA-N	241.096	-0.626	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)C2CC(B(O)O)C2)C1	2247854635	GJGQUBXSFIEYBL-NWGYLPEXSA-N	241.096	-0.387	50	10	BBGE	
O=C(N1CCC=C[C@H]1CO)C1(B(O)O)CCC1	2247856426	JPDAXRQSKSOCJT-VIFPVBQESA-N	239.080	-0.467	50	10	BBGE	
Cc1noc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247859209	KWNVOPJILLADSP-RQJHMYQMSA-N	239.040	-0.801	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccoc1B(O)O	2247867894	AEVLPLXRVWOQAI-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(C(=O)C2(B(O)O)CC2)C1	2247870435	JQUGDQFVMDGQTD-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CCCN(C)C(=O)c1nc(C)ccc1B(O)O	2247870576	MBZUWVJRGJMGOD-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
C#CCCCN(C)C(=O)c1coc(B(O)O)c1	2247871539	CVEJYPSJYGZKIP-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1C1CC1)C1(B(O)O)CC1	2247878325	NOSHKKAJIRDYFE-RKDXNWHRSA-N	239.080	-0.465	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCOCC1	2247898091	AJTAKAXVAPGTDR-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900430	WRMZVCGJPPCBFW-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1F	2248433541	MNUFEVSJHJOBBO-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
C[C@](NC(=O)[C@@H]1C[C@H]1B(O)O)(C(=O)O)C1CC1	2248585515	MYFDSQVSYBTBLH-BRDIYROLSA-N	241.052	-0.781	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]1CF	2249417977	NIGCPALYJQDBME-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1cc(B(O)O)co1	2249420318	SCHNTEJNPYXNSK-IUCAKERBSA-N	235.048	-0.512	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1cocc1B(O)O	2249422508	DIRSFAJELWRFRG-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(NCCC#CB(O)O)C12CCC(CC1)O2	2250008556	NLQGQKALFOXWJM-UHFFFAOYSA-N	237.064	-0.780	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2251005537	VXJLDZRSGHIEGT-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2251026457	SRUMPORRMBCTNT-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2255482528	WEBHEBHGSUCCCK-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2255716720	UGYYHAFUSLZBEU-NEPJDUFXSA-N	247.059	-0.560	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1nccnc1B(O)O	2256055377	IGYDFNIBECXFQK-HTQZYQBOSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)co1	2258127134	YLHIQEZNUHRXFO-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CC2)c1cc(B(O)O)c[nH]1	2260560127	YRYDJABROHIBQY-PRHODGIISA-N	248.091	-0.243	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncco2)c(B(O)O)c1	2263396353	VJKWYKNSUPSYRK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](C2CC2)[C@@H](O)C1	2298368544	KVEVQGPMWJARFW-JLIMGVALSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)CCO1	2298376201	MXLSTJOYIDBHBB-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)O)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298462797	CXPOAKGUCVMKFW-LXGUWJNJSA-N	241.052	-0.687	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC=CCN1	2301340876	JJMCRWOWONJQLY-UHFFFAOYSA-N	229.048	-0.881	50	10	BBGE	
CCO[C@]1(CN2CC[C@@H](B(O)O)C2)CCOC1	2303096404	FGGMRQBHTPXKIF-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
CC(C)n1nnnc1CN1CC[C@@H](B(O)O)C1	2303104174	HUQZEXUDSAHERS-MRVPVSSYSA-N	239.088	-0.697	50	10	BBGE	
CN(C(=O)CN1CC[C@](C)(B(O)O)C1)C1CC1	2303124209	PKAUZNSVTJWSHZ-NSHDSACASA-N	240.112	-0.454	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@H]1C(=O)C2	2306276124	VYWKGFDXJNXOCH-IUCAKERBSA-N	239.275	-0.793	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@@H]2CCOC[C@@H]21	2312612321	QKWRWHVKWXONOC-GUBZILKMSA-N	248.091	-0.544	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)N1CCNCC1	2324210187	SKVAXCLEEVNYDN-UHFFFAOYSA-N	222.292	-0.176	50	10	BBGE	
CCOCC(=O)NNC(=O)c1cscn1	66655247	RQPHDUYFVUNNQH-UHFFFAOYSA-N	229.261	-0.059	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCOC1	82545670	PSNOVVHSIXPWTQ-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1CC(O)C1	84453499	MUHLKHZPXCIPNO-AMDVSUOASA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(=O)CC1	86313500	WVPGZASSOWMSAI-JGVFFNPUSA-N	213.281	-0.334	50	10	BBGE	
Cn1nnnc1N1CCO[C@H](CCl)C1	88095885	SARBNSMFEBJCCQ-ZCFIWIBFSA-N	217.660	-0.346	50	10	BBGE	
NNC(=O)c1cc(Br)c[n+]([O-])c1	116379691	QYSSVBZTFOGTMJ-UHFFFAOYSA-N	232.037	-0.314	50	10	BBGE	
OCCn1cc([C@@H]2OC[C@@H](CCl)O2)nn1	134974497	WMKMSZONMGYQKH-HTRCEHHLSA-N	233.655	-0.077	50	10	BBGE	
CC(C)(Cn1cnc(C#N)c1C#N)C(=O)NN	156313844	ZOMRJGFLTGETNP-UHFFFAOYSA-N	232.247	-0.357	50	10	BBGE	
N#C[C@@H]1CN(C[C@H](O)CCl)CCO1	158030556	QALZDMSEUMJYIA-HTQZYQBOSA-N	204.657	-0.190	50	10	BBGE	
CC(C)[C@@H](N)C(=O)N[C@H](CCl)C(=O)O	196543388	QELMAJBJHZGQCH-PHDIDXHHSA-N	222.672	-0.222	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CCCO2)c1	203524733	HWGQGRHBWCQTRZ-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H]1CCCN1)B(O)O	213693047	OFTDJSJGSZPHQD-IUCAKERBSA-N	228.101	-0.575	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@@H]1O	230357116	RGWUFWBNTGHULF-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](Cl)C(=O)NCCS(=O)(=O)N(C)C	230991529	GCUXZILXSCNKDM-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
CO[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	234805425	VWKZNRWNFHHWPG-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
O=C1CN(Cc2cccnn2)CC(=O)O1	236403980	WOAZYSJJDKEOFO-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
CN(C)/C(C#N)=C(\N)C(C#N)(C#N)N(C)C	238294701	WYFWBEQDBYEOQK-HJWRWDBZSA-N	218.264	-0.411	50	10	BBGE	
Cc1nn(C)cc1C=NNC(=O)Cn1cncn1	254754350	HOTLAGCFDIVUSM-UHFFFAOYSA-N	247.262	-0.530	50	10	BBGE	
C[C@@H](N)c1ccc2c(c1B(O)O)OCO2	258153180	XDLDYEXAMOXROY-RXMQYKEDSA-N	209.010	-0.885	50	10	BBGE	
O=[N+]([O-])c1cncc(Br)c1B(O)O	306988512	GJPLDPKYSVBRPK-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Cc1ncsc1C(=O)NNC(=O)[C@@H](C)N	309633840	RTPKJWCPSJZUGO-SCSAIBSYSA-N	228.277	-0.440	50	10	BBGE	
CCOC(=O)c1c(F)ccc(B(O)O)c1F	381308910	MKJKLLNETBLNEM-UHFFFAOYSA-N	229.975	-0.179	50	10	BBGE	
CC1=NC(=NO)C(=O)N1C[C@@H](O)CCl	383691892	ZLWGDKRDSGCEAX-YFKPBYRVSA-N	219.628	-0.366	50	10	BBGE	
CN(CC(=O)NN)Cc1nccs1	387588444	FFDBGYBZRADLSV-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
CC[S@@](=O)N[C@@H](C)c1cccc(B(O)O)c1	405043880	QNCIZEYQOJGLIE-ZKANADHPSA-N	241.121	-0.299	50	10	BBGE	
C=CCNC(=O)N[C@H](C)c1cccc(B(O)O)c1	405173427	XLUPJSFIZSFSOF-SECBINFHSA-N	248.091	-0.087	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C(F)(F)F)CC1	686841343	LNSDKRQZJYVZOD-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](N)CC(F)F)CC1	692131716	ICSOVLYNHHRISB-SSDOTTSWSA-N	247.245	-0.154	50	10	BBGE	
Cc1cnn(CCn2nc(C)c(B(O)O)c2C)c1	694311044	VZKIEIVCOPXTBL-UHFFFAOYSA-N	248.095	-0.615	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](C(F)F)C1	707178991	KFZXTLDZXHHKLD-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
NS(=O)(=O)[C@@H]1CCN(C(=O)CCl)C1	707498577	FWOWMFHULCEKFP-RXMQYKEDSA-N	226.685	-0.885	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](F)[C@H](F)C1	714557833	GITIRJRBPDODOR-DSYKOEDSSA-N	207.224	-0.253	50	10	BBGE	
NNC(=O)CCCCN1CCS[C@H](CO)C1	720070822	BSDVNQKJUGIVMP-VIFPVBQESA-N	247.364	-0.444	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@]1(C)CO	723000313	OEUIIOLXJMHUAB-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)[C]1CC=CS1	725540053	FYTJIZXFXPIYCZ-RXMQYKEDSA-N	214.270	-0.336	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCOCC1	787568246	ARKOZHJAEGFSEH-MRVPVSSYSA-N	244.291	-0.279	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C1(C(=O)O)CC1	844242226	RGHSDIJMYVSFKH-UHFFFAOYSA-N	229.236	-0.456	50	10	BBGE	
OB(O)c1ccccc1CN[C@H]1CCC[C@@H]1O	877700188	HKFBKZMEWPIBRU-RYUDHWBXSA-N	235.092	-0.631	50	10	BBGE	
COC(C)(C)C(=O)NN(C)C[C@@H](C)O	910168566	UXCLTAQGVZBTSZ-SSDOTTSWSA-N	204.270	-0.245	50	10	BBGE	
CC[C@@H](O)[C@@H](C)C(=O)NNc1nnc(C)n1C	912676655	DMSAVFWKIQVHAH-HTRCEHHLSA-N	241.295	-0.026	50	10	BBGE	
O=C1C[C@@H](Cl)NC(=O)N1N1CCOCC1	953054988	JSDCLONIJYLBHK-LURJTMIESA-N	233.655	-0.260	50	10	BBGE	
O=C(C[C@@H]1CCOC1)NNC(=O)[C@H]1CCCO1	1117788673	SAIRKLJWMVZNPJ-DTWKUNHWSA-N	242.275	-0.261	50	10	BBGE	
O=C(C[C@H]1CCCC(=O)N1)NNc1ccncn1	1141131442	YDBSDRMBHYZSNN-MRVPVSSYSA-N	249.274	-0.022	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCN1C(C)=O	1261846948	DNZUBJKUAVHRCT-QMMMGPOBSA-N	213.237	-0.835	50	10	BBGE	
CC(=O)NNC(=O)Cc1ccc(F)cn1	1262152996	OEMYMIIHPRKQHE-UHFFFAOYSA-N	211.196	-0.070	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)C23CC(C2)C3)N1	1330108275	NVESWTIUGFNHEM-UXEXPGAESA-N	237.259	-0.788	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@H](C)CC(N)=O	1442300213	STFOZPWQEDHDLI-SSDOTTSWSA-N	244.295	-0.372	50	10	BBGE	
Cc1cnc(NC(=O)c2cccc(B(O)O)c2)[nH]1	1566305672	GBWNNONNTUANSO-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
COCCN(C)NC(=O)C1(CO)CCOCC1	1627337611	XTPLSRDDAKYXRH-UHFFFAOYSA-N	246.307	-0.615	50	10	BBGE	
CN(C)NC(=O)c1c(S)cnn1C	1882558426	HEGVMSSPMZHPTI-UHFFFAOYSA-N	200.267	-0.085	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)C[C@H](O)C1	1882572742	SAXOPRGDTSESQO-BIIVOSGPSA-N	209.673	-0.986	50	10	BBGE	
NC[C@H](O)C(=O)NCC1CC(Cl)C1	1883648867	IAYXTIXNWNGTNI-AHXFUIDQSA-N	206.673	-0.560	50	10	BBGE	
CN(CCCC(=O)NN)C1(CO)CC1	1886374786	PQYAMRSUDNQAML-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](CN1CC[C@@H](B(O)O)C1)N(C)C	1891492426	OGRKYNFERPWLEI-RKDXNWHRSA-N	200.091	-0.515	50	10	BBGE	
O=C(O)[C@@H]1CNCCN1C[C@H]1C[C@@H]1Cl	1893097286	AYJCIPKNURYFEI-CSMHCCOUSA-N	218.684	-0.028	50	10	BBGE	
COC1(C(N)=O)CN(C[C@@H]2C[C@@H]2Cl)C1	1893098549	JFUKFXYKTULEMN-BQBZGAKWSA-N	218.684	-0.200	50	10	BBGE	
CN1CCC2(CC1)CCN(CC(=O)NN)C2	1899655150	FYKINDRSYQUKMP-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CC1(C)CCN1C(=O)c1cnsc1B(O)O	1900455080	QXPZMMCPRSFSPV-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C=C[C@@H](N)C1	1901343615	FKQJWZDBFQFJGE-JGVFFNPUSA-N	247.320	-0.798	50	10	BBGE	
OB(O)[C@@H]1CCN(CCc2cccnn2)C1	1902514381	XHGGFWOMFGFSES-SECBINFHSA-N	221.069	-0.432	50	10	BBGE	
OB(O)c1csc(COC[C@@H]2CCOC2)n1	1902652540	HLTJJRLTQPBSSJ-SSDOTTSWSA-N	243.093	-0.624	50	10	BBGE	
O=C1OCC[C@H]1NNC(=O)C(F)(F)F	1923408149	VWHHUAATPSHPJV-GSVOUGTGSA-N	212.127	-0.515	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CNC(=O)N1	1923417281	QRFQZRXFTZPRKL-RXMQYKEDSA-N	244.251	-0.776	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2OCC[C@@H]21	1923930820	UMYGNTRKSQTZPD-WDSKDSINSA-N	211.670	-0.014	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C[C@H](O)C[C@@H]2C1	1927859104	AHSCPHSTFDZGKE-IWSPIJDZSA-N	232.711	-0.109	50	10	BBGE	
CON(C)C[C@H]1CC[C@H](C(=O)NN)O1	1928676695	MNWPQGQRLWCGLD-RNFRBKRXSA-N	203.242	-0.983	50	10	BBGE	
C[C@H](CCl)C(=O)NCCn1cnnn1	1928857778	RDWQAVWKSMSILI-ZCFIWIBFSA-N	217.660	-0.336	50	10	BBGE	
O[C@@H](CCl)CN1C[C@@H](O)C(F)(F)C1	1931832970	YSIDQUKQVCGUQU-NTSWFWBYSA-N	215.627	-0.102	50	10	BBGE	
CC[C@@]1(C)CN(C(=O)C(=O)NN)CCO1	1932355453	SHPWTEBSIOGBGA-VIFPVBQESA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1932374863	ZWQKMBSOTOMGKC-XAVMHZPKSA-N	215.272	-0.098	50	10	BBGE	
CS(=O)(=O)CCNC[C@H]1COC[C@H]1Cl	1933391844	IXNMCCILJMGYJQ-JGVFFNPUSA-N	241.740	-0.126	50	10	BBGE	
Cn1nnnc1N1CCOC[C@H](CCl)C1	1933581439	OAKPBDFFROWLHU-SSDOTTSWSA-N	231.687	-0.098	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC(F)(F)CO	1938127334	LDOVLBQLTXAICJ-RQJHMYQMSA-N	237.250	-0.828	50	10	BBGE	
CO[C@]1(C)CCN(CC2(C(=O)NN)CC2)C1	1938246111	DTPWZDGHYYRNNT-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CCCCC(=O)NN	1939641103	LLMBUXGSOJINCI-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@]12CC[C@@H]1C2	1940161834	SJMPRVYGSLWYEO-MLUIRONXSA-N	238.077	-0.439	50	10	BBGE	
CN(C)C(=O)[C@H]1CCN(CCCC(=O)NN)C1	1940301703	BSZHWKIVCAHUFK-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H](O)[C@H](F)C1	1944307921	KWFRXFOMRUBOJY-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
Cc1cnn(C)c1CN(C)CCCC(=O)NN	1945336441	CACPQMOLWHUPRP-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
Cn1cnc(Cl)c1[C@H](N)[C@@H](O)C#N	1953042837	VVSRDLWXSVEXFS-CRCLSJGQSA-N	200.629	-0.042	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCS(N)(=O)=O	1954240741	XBCDPNNVCMQQNF-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
CCNC(=O)CN(C)C[C@@H](O)CCl	1954820483	IRRAOWSIVWUPCK-ZETCQYMHSA-N	208.689	-0.346	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1CCCl	1954822677	SMHVPKDMPNPDDW-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CCCNC(=O)C1CN(C(=O)NN)C1	1956555306	DQJPGYUEUYJKTP-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1957560341	SEFQZHKZMKTLTE-RXMKQEINSA-N	233.695	-0.138	50	10	BBGE	
CC(C)[C@H](C)Oc1ncc(B(O)O)cn1	1961714113	VVKVPGWFGOMXPV-ZETCQYMHSA-N	210.042	-0.420	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CCO[C@H]1C(N)=O	1962120573	BKFZRYNVZXYENK-FSDSQADBSA-N	234.683	-0.380	50	10	BBGE	
OB(O)C=Cc1cc(-n2cccn2)ncn1	1975854902	IRLDBNGOSKZWFC-UHFFFAOYSA-N	216.009	-0.313	50	10	BBGE	
CCN(C)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	1980601171	GZJFZRCSVQWILL-RKDXNWHRSA-N	228.340	-0.363	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H]2C)ncc1B(O)O	1981446346	XGYDAYCYYNQSDZ-XPUUQOCRSA-N	221.069	-0.691	50	10	BBGE	
CCON(CC)c1ncc(B(O)O)cc1C	1981469789	YIUMCSRKLSVGKD-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)n1	1981993268	OCZAABQIPWKLPW-XAMCCFCMSA-N	236.105	-0.333	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCC[C@@H]1F	1982677578	BEHKHFGZWDYYAG-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC=C[C@@H]1CO	1985649194	TYGHYTKQVHNPSV-IVZWLZJFSA-N	227.308	-0.376	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]2OCC(=O)N[C@H]2C1	1986842838	YSNGTBBLWNAOCJ-CIUDSAMLSA-N	243.694	-0.293	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCOC[C@H]1F)C(=O)NN	1987226246	WSKMTXYXKFKJAP-IWSPIJDZSA-N	233.287	-0.329	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@H]2C1	1988002661	ABAWMPPAKVCUEQ-BQBZGAKWSA-N	222.028	-0.643	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1990772460	JZGRBJZTBSPIQR-QEYWKRMJSA-N	223.276	-0.506	50	10	BBGE	
NC(=O)C1(NC(=O)[C@H]2C[C@@H]2Cl)CCNCC1	1991680607	RTIHVANJTSFVBN-BQBZGAKWSA-N	245.710	-0.663	50	10	BBGE	
N=C(NO)c1c[nH][nH]c1=NC(=O)[C@H]1C[C@H]1Cl	1991684146	AFZGBQRTJOGVCM-WVZVXSGGSA-N	243.654	-0.298	50	10	BBGE	
N[C@@H]1C[C@H](CNC(=O)/C=C/C(=O)Cl)C[C@@H]1O	1991716544	LHILKLBISQUPFW-CROXQLKHSA-N	246.694	-0.478	50	10	BBGE	
C=C(CN1CCC[C@@H](N(C)CC)C1)B(O)O	1992152314	CUYNRSCMCWHZBS-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
OB(O)c1cnccc1N1O[C@H]2C=C[C@H]1C2	1992619108	IVWZZEMCKUAYSM-YUMQZZPRSA-N	218.021	-0.790	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]1C1CCOCC1	1992962886	VMYLOOZROQMZDM-ZJUUUORDSA-N	228.292	-0.338	50	10	BBGE	
C=C(CN(C)Cc1cc(C)ncn1)B(O)O	1995109807	NJDORHWRSJAZOB-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1[C@H]2CC[C@H]21	1997527914	FZPDRFDYTLRSEK-QMSLJYSESA-N	232.048	-0.644	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1[C@@H](CC)C(=O)NN	2003620089	YQSIGMLSACTMPU-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CCCN(CCCC(=O)NN)[C@H]1CCNC1=O	2004312946	FKQOTESTRABWEF-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
COC[C@H](Oc1ncc(B(O)O)cn1)C(C)C	2004924439	BOSVQLZKIXIKCN-VIFPVBQESA-N	240.068	-0.794	50	10	BBGE	
CN(Cc1cnsc1)c1ncccc1B(O)O	2004935895	RFZXQHWKEZEFAI-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
COCCNC(=O)Nc1ccccc1B(O)O	2005210754	UHBCNHOQADBTNO-UHFFFAOYSA-N	238.052	-0.866	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](C(C)(C)O)C1	2005913300	PZPGQHNHHLGGHF-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
C[C@]1(CCN2CC(=O)OC(=O)C2)COCCO1	2005978540	VRMXEBPXWMAGNR-NSHDSACASA-N	243.259	-0.433	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@H]2CNC[C@H]2O)CC1	2006008628	CJLNEQCNRDDMBD-WDEREUQCSA-N	235.287	-0.361	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2[C@@H](O)C[C@H]2C1	2008869689	DSVMZMVBOVATOT-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011132556	UAJPDYKPOYIGAE-NHCYSSNCSA-N	241.335	-0.008	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2[C@@H](C)[C@@H]2C)n1	2011595586	DWLPSZIRVJCXBT-BQBZGAKWSA-N	236.080	-0.254	50	10	BBGE	
COCC1(N2[C@H]3CC[C@H]2C(=O)OC3=O)COC1	2015359350	WBDCXQQLNKOODH-YUMQZZPRSA-N	241.243	-0.682	50	10	BBGE	
CN(CCOc1cncc(B(O)O)c1)C1CC1	2018210641	QCWOJNOGRAFPAD-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)COCCO[C@@H]1CN2CCC1CC2	2021075115	XJAYQDHYJCYROR-SNVBAGLBSA-N	243.307	-0.896	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC2(C)C)c1B(O)O	2021269301	DIMJBBMECPUWRE-QMMMGPOBSA-N	236.080	-0.110	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@@H]32)n1	2026067814	IXXQRKGLLTWGPV-KHQFGBGNSA-N	234.064	-0.358	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CC2(CCO2)C1	2051854765	AHNLUEHLSIPZKP-UHFFFAOYSA-N	247.103	-0.350	50	10	BBGE	
CCN1CCN(c2ncccc2B(O)O)C[C@H]1C	2052491676	MMMVKVPCZJCCCZ-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1cncnc1	2058407482	DVTSNICCYUJWGD-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
N#Cc1ccc(C=O)c(B(O)O)c1C(F)F	2060234979	CXUKRMLPTWQVHA-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CCc1cc(OC)cc(B(O)O)c1C#N	2060260884	GVSMGOZSEJPESQ-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CN=c1cc(CN2CCC(O)(C#N)CC2)nc[nH]1	2073505798	VNOIWECOUWGMOU-UHFFFAOYSA-N	247.302	-0.209	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](F)C[C@@H](O)C1	2210693257	HDXGBARWCXUFKB-DTWKUNHWSA-N	233.287	-0.449	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@H]3C[C@@H]32)s1	2211072867	SJLOFSQLWBDHGO-IUCAKERBSA-N	239.105	-0.599	50	10	BBGE	
CN1CC[C@@H](COC[C@@H]2C[C@@H]2C(=O)NN)C1	2211768198	JVUPDXLOJPYVBF-UTLUCORTSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H]1CSC[C@H]1Nc1ncccc1B(O)O	2212601383	NGLXBIDKARBLNF-VXNVDRBHSA-N	238.121	-0.075	50	10	BBGE	
CC1(C)C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2212601462	OHBNEQFNVVIQOF-QMMMGPOBSA-N	220.081	-0.359	50	10	BBGE	
OB(O)c1ccc(=NCC2CC=CC2)[nH]c1	2212602114	YUMFGODZZZGISL-UHFFFAOYSA-N	218.065	-0.439	50	10	BBGE	
COCCOCCOC[C@@H]1CC[C@H]1C(=O)NN	2215775974	JXOAQQZQFPETQG-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1COCCn1cncn1	2215777424	SMOLLTZLGKCSDB-IUCAKERBSA-N	239.279	-0.689	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCCC[C@@]2(CO)C1	2216722563	KDKAVALGEREOAX-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(O[C@@H]2CCN[C@@H]2C)cc1B(O)O	2217168805	YBKWOHNIWUSFOY-PSASIEDQSA-N	236.080	-0.801	50	10	BBGE	
CC1([C@H](N)COc2ccc(B(O)O)cn2)CC1	2217172630	LEIHFQFAPIEVNZ-SECBINFHSA-N	236.080	-0.732	50	10	BBGE	
CC[C@]1(Nc2ccc(B(O)O)cn2)CCOC1	2217175494	JSBULAKNAXVWIZ-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H]2CCCO2)c1	2217175755	MZYLWKOIQNKIGJ-JTQLQIEISA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@]23CC3(F)F)nc1	2217178749	ZGZYQWFTSGGDJU-VXNVDRBHSA-N	240.018	-0.029	50	10	BBGE	
C#C[C@@H](Nc1ncccc1B(O)O)C1CCC1	2217183702	KKKICANIRZESQJ-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)c1ccc(B(O)O)cn1	2217183762	KVQLEKCQHWCWLT-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1c1cc(B(O)O)ccn1	2217197558	NULXFUGRNFJWHG-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@@]1(Nc2ncccc2B(O)O)CCCNC1	2217201329	XPDHKAFZGRJENH-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
C=C[C@]1(Oc2ncccc2B(O)O)CCCNC1	2223650279	KWBCCENMCHEXHM-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
CC[C@@H](C)N1CC(Nc2ccc(B(O)O)cn2)C1	2223651026	UMMBVCYTXSAFPD-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
N[C@H]1CCCCCN(c2ncccc2B(O)O)C1	2223666509	JPQCBPNQDBWFKW-JTQLQIEISA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@H]2CC[C@H]21	2223669518	LBOVDKIGNQSFKF-GDPRMGEGSA-N	248.091	-0.889	50	10	BBGE	
OC[C@@H]1CC2(CC2)CN1c1ncccc1B(O)O	2223671814	QADFZFKQCXSRND-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
NCC[C@@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2223673643	GWXWYOCZDXUQLM-UWVGGRQHSA-N	249.123	-0.309	50	10	BBGE	
C=C[C@@H](C)OCc1nscc1B(O)O	2241690076	MYOOHZUZTVBGQB-ZCFIWIBFSA-N	213.067	-0.086	50	10	BBGE	
CO[C@@H](CO)CNC(=O)CCBr	2242444496	DHCYUFLNKHQATQ-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
O=C(NC1CC=CC1)c1ccsc1B(O)O	2243358668	JASRUCPBYBBDRK-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1CCC1	2243364484	XWIRISPNWZSIDI-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CC=CCNC(=O)c1cc(C)c(B(O)O)o1	2243378466	UAVJNJRHVSLYEH-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)[C@H]1C[C@@H]1B(O)O	2243391157	HEFCVQRBYFIASM-LRPJSKTQSA-N	223.081	-0.036	50	10	BBGE	
Cc1nccnc1NC(=O)[C@H]1C[C@H]1B(O)O	2243396636	OTKZLPDGXMWAJM-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@]1(C)CC1(F)F	2243398486	FJOZGMAAKPQGFL-SVRRBLITSA-N	231.007	-0.448	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C(=O)C1(B(O)O)CC1	2243410258	YCAGGTKBLCLYCF-QMMMGPOBSA-N	229.085	-0.531	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[C@@H]1B(O)O	2243426654	JUAHGIDFFLQRNU-ZTKNNBQKSA-N	225.053	-1.000	50	10	BBGE	
C#CCC(=O)Nc1nc(B(O)O)ccc1Cl	2243685314	RNEOKNFSETWUCB-UHFFFAOYSA-N	238.439	-0.623	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244205770	NEFXRVKTZXDXNY-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
CC(C)[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2247733723	PGYGMFULWMKDTM-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
O=C(N1CC[C@H](CCO)C1)C1(B(O)O)CCC1	2247735191	LIOLIMIRODKRQY-SECBINFHSA-N	241.096	-0.386	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCOC1	2247735999	RESIAZUTXCGSKZ-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](CNC(=O)c1ccc(B(O)O)o1)C(F)F	2247741208	WJQDMLRLFWATLN-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
CC1(C)COCC[C@]1(C)NC(=O)C#CB(O)O	2247743572	GABUTZHTBQKMMF-NSHDSACASA-N	239.080	-0.677	50	10	BBGE	
CCn1cc(CNC(=O)C2(B(O)O)CC2)cn1	2247750782	OAMMWSOTOHARGY-UHFFFAOYSA-N	237.068	-0.474	50	10	BBGE	
CCOCCN(C)C(=O)c1occc1B(O)O	2247757520	VYKAOVOFPRIBAF-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247758881	YHPQRMWCCSSMAB-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CCCN(O)C(=O)c1ccc(C)c(B(O)O)c1	2247762058	ZJRHLLRAGGCAFO-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787199	MALJOPLIJQBCBX-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CCOC2)C1	2247788001	XSQOSPMMIXABCL-DTORHVGOSA-N	239.080	-0.512	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)N(C)C(C)C)n1	2247791503	MRQOZIKGFMGNDJ-UHFFFAOYSA-N	239.084	-0.937	50	10	BBGE	
Cc1ocnc1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247792003	PSZLKKAVXCEPJH-SFYZADRCSA-N	238.052	-0.495	50	10	BBGE	
O=C(NCCCc1cn[nH]c1)[C@H]1C[C@@H]1B(O)O	2247810157	VGJIILZWCPYAFM-IUCAKERBSA-N	237.068	-0.679	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCC[C@H]1CCO	2247848295	JXPOSMHZPWVGCO-UWVGGRQHSA-N	239.080	-0.941	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CNC2)[C@H]1C[C@@H]1B(O)O	2247855057	MTUMFEZGRFLSTJ-HJGDQZAQSA-N	238.096	-0.892	50	10	BBGE	
Cc1cc(C(=O)NOCCF)ccc1B(O)O	2247873060	CZTPJFVZILAPIV-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
CN(CC1(O)CCCC1)C(=O)C1(B(O)O)CC1	2247877551	IDOGQXVOWZXUTJ-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2occc2B(O)O)C1	2247879117	QTSGCGUHGPPRPH-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]2C[C@@H]21	2247879411	UUIKWLGFZWKDJK-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
CN1CC[C@H](CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247896493	HPYMXNAZLWPMTP-GUBZILKMSA-N	240.112	-0.741	50	10	BBGE	
C[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@@H]1B(O)O	2247897931	YNLLJQDKLAPWMP-VGMNWLOBSA-N	237.068	-0.749	50	10	BBGE	
O=C(NC1CN(CC2CC2)C1)[C@@H]1C[C@H]1B(O)O	2247898830	IATVEXQCELDHQD-NXEZZACHSA-N	238.096	-0.940	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899519	NTSBQHFVPBJLNM-RKDXNWHRSA-N	241.096	-0.125	50	10	BBGE	
CC1CC(CO)(N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899804	QFTFBEKSZMZENQ-QMFGVRBNSA-N	241.096	-0.531	50	10	BBGE	
CNC[C@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247906413	YMUPYEICXSYZQE-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)C1CC(B(O)O)C1	2247910823	RPEUZLXDIKXSON-UDNWOFFPSA-N	240.112	-0.502	50	10	BBGE	
CC(C)ONC(=O)Nc1ccccc1B(O)O	2247972118	GGIXYTNBSAVPPK-UHFFFAOYSA-N	238.052	-0.172	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)ccc1O	2248028393	JHSWHFHRFWSIRJ-UHFFFAOYSA-N	239.036	-0.905	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C[C@@H](C)O	2248442109	IZJRXDYQCGGVHO-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
C[C@H](CCC(=O)O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2248573756	JJOYSAAMKYAWCF-CSMHCCOUSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248577486	NGVLIGOVIUDCMR-PRJMDXOYSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2248585390	KNHRVHALYVBDCB-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
O=C(NCC=C(F)F)c1cccc(B(O)O)c1	2248626739	JFPLTQGLCYJGHI-UHFFFAOYSA-N	241.002	-0.123	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cocc1B(O)O	2249415375	DBYQLOGHXNEJDU-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@]1(C)CC1(C)C	2250949437	JZNGPHVRFXPCNE-LLVKDONJSA-N	235.096	-0.219	50	10	BBGE	
C#CCOC[C@H](C)Oc1cc(B(O)O)ccn1	2253015755	BVQHRUDBINUIIH-VIFPVBQESA-N	235.048	-0.822	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2255453030	DIKOREPIEZQBFO-MIBSWOBISA-N	247.059	-0.560	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](c2cc[nH]n2)C1	2255468225	XNUCITGPBQGISQ-VIFPVBQESA-N	247.063	-0.869	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@H]2C1	2255490718	MKWCRNQGEPEDNY-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
CC=C1CN(C(=O)c2c(F)cccc2B(O)O)C1	2255513150	MDILXLZUIRNNLZ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)cn1CC	2255513596	UMCTUCNJCIJLIH-SECBINFHSA-N	248.091	-0.813	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ncncc1B(O)O	2255520550	LRDWJENIPYRVDO-MRVPVSSYSA-N	249.079	-0.925	50	10	BBGE	
C#CC1CN(C(=O)c2cc(C)ccc2B(O)O)C1	2255736876	VFLBKTXZBMNRGV-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2255951738	JZNBWRWOXVVEDT-GMSGAONNSA-N	249.075	-0.400	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CC[C@H]2C1	2258124048	XCFPLSSZHXVIEK-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
COC(=O)C=Cc1ccccc1B(O)O	2293780583	WUEIYHVPDHJGLC-UHFFFAOYSA-N	206.006	-0.447	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@]12CO)C1(B(O)O)CC1	2298375120	QMIMKJOWAUCQER-KHQFGBGNSA-N	239.080	-0.729	50	10	BBGE	
Cc1cn2c(n1)CCN(CCC(=O)NN)CC2	2300653862	KHACTSYLVBJVAQ-UHFFFAOYSA-N	237.307	-0.570	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2303771628	ZCSCXGRKPMYRTP-SFYZADRCSA-N	241.096	-0.077	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCCOC2)ncc1F	2303851240	ANTQFRTWDBWKTG-ZETCQYMHSA-N	241.027	-0.542	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1CCN1	2317216703	QAQSYFSYUSQOED-KWQFWETISA-N	246.075	-0.633	50	10	BBGE	
CCC#CC(=O)N1Cc2cccc(B(O)O)c2C1	2319239338	CCNXEJHSYFSZHC-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
COc1ccc(NC(=O)C(=O)NN)cc1F	37290995	RXCXJOVEOLBNAW-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1C=O	54237335	CZKDVSJTVMIVHM-VIFPVBQESA-N	227.264	-0.793	50	10	BBGE	
CS(=O)(=O)CCCn1nnnc1CCl	54744094	XOGWYTDKKCPGAI-UHFFFAOYSA-N	238.700	-0.153	50	10	BBGE	
COC(=O)N/N=C(\C)CN1C(=O)CCC1=O	59382601	ZOCVAWYYGVNMLX-UXBLZVDNSA-N	227.220	-0.133	50	10	BBGE	
CC[C@@H](OC1CCOCC1)C(=O)NN	82465553	ZNVALZRRXNSHPO-MRVPVSSYSA-N	202.254	-0.050	50	10	BBGE	
CC(C)OC(=O)NS(=O)(=O)N=C=O	157703023	MKIBAXRGABCOKT-UHFFFAOYSA-N	208.195	-0.298	50	10	BBGE	
CCCC[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	197127595	KYIRAKNWGLQGKF-BDAKNGLRSA-N	228.101	-0.493	50	10	BBGE	
CC[C@H](C)[C@H](NC)C(=O)N1CCC[C@@H]1B(O)O	213643104	BUAAKYSJGLRXTN-AEJSXWLSSA-N	242.128	-0.377	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)NC(=O)CCCl	220586264	UKRUSPLRPFLRGK-YFKPBYRVSA-N	235.671	-0.295	50	10	BBGE	
C[C@H](CO)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228232125	HWQBEZFNXKRNRG-HLTSFMKQSA-N	248.348	-0.115	50	10	BBGE	
Cn1nccc1CCOc1cccc(B(O)O)c1	230766866	BSCLTGCJOAHWLP-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
OB(O)c1c(F)ccnc1C(F)(F)F	238613522	HNPUCCVJHLZJJY-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CNC[C@@H]1CCCN([C@H](C)C(=O)NN)C1	251575029	WBLZRXQAOCYZOQ-BDAKNGLRSA-N	214.313	-0.704	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1C2	252431612	MQXXPLNZHTZYSF-XGEHTFHBSA-N	225.292	-0.083	50	10	BBGE	
CC1(O)CN(C[C@@H](O)CBr)C1	306682575	RSKUQWYGNIVBAE-LURJTMIESA-N	224.098	-0.191	50	10	BBGE	
C[C@H]1C[C@@H](N=C=O)CN(S(C)(=O)=O)C1	306773460	IUDZTCHPFLKISI-JGVFFNPUSA-N	218.278	-0.008	50	10	BBGE	
CNC(=O)[C@H]1CCN(S(=O)(=O)CCl)C1	306904718	KHCHYEHCLHNBBD-LURJTMIESA-N	240.712	-0.420	50	10	BBGE	
C=CCSCC(=O)NNC(=O)CO	308194284	QTROHDYWKGOFOI-UHFFFAOYSA-N	204.251	-0.955	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)[C@H](C)N	308824634	HPEWSVVGEFQBMT-YFKPBYRVSA-N	211.221	-0.304	50	10	BBGE	
CCOC1CN(Cc2cc(B(O)O)ccc2C)C1	313757300	FRUVQPVMXMHBBS-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)S(=O)(=O)C1	378964793	SVVIQMCMOJYUEB-SSDOTTSWSA-N	249.336	-0.716	50	10	BBGE	
O=C1CN(CC2=CCCOC2)CC(=O)O1	379767982	MCIKNLIAGWEWTI-UHFFFAOYSA-N	211.217	-0.282	50	10	BBGE	
Nc1cnnc(NNC(=O)C2COC2)c1Cl	381350000	BIYGXQXEUAHDKH-UHFFFAOYSA-N	243.654	-0.198	50	10	BBGE	
CN(CCC(N)=O)S(=O)(=O)CCl	381972559	SDPKBMOOKYPIRA-UHFFFAOYSA-N	214.674	-0.680	50	10	BBGE	
CCC1(O)CN([C@H](C)[C@H](C)C(=O)NN)C1	384134283	LWBJDKNMHZVZDP-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CO[C@H](C)CN(C)[C@H](C)[C@@H](C)C(=O)NN	389370102	KLLKXDDKGPHUPM-IWSPIJDZSA-N	217.313	-0.032	50	10	BBGE	
N#Cc1cccc(CC(=O)CCl)c1B(O)O	396076982	LANPUBPHQBAWOE-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1C#N	396097481	IPPSQQXRDZBAGF-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
CC(=O)Cc1ccc(C(=O)O)cc1B(O)O	396128245	MFZDECNJDPTODG-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1ccc2cc(C(=O)O)sc2c1B(O)O	396237560	GAJKNXREVHOLMW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1csc2c(CO)c(B(O)O)ccc12	396242347	KAAKNUOGLFIFJR-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[S@](=O)Nc1cccc(B(O)O)c1F	575453437	AMNOBVLTMHIUSU-AWEZNQCLSA-N	217.030	-0.789	50	10	BBGE	
C[C@H]1CCN(C(=O)N2CC[C@H](B(O)O)C2)C1	585056555	QPWXGRFTGIDCMM-IUCAKERBSA-N	226.085	-0.003	50	10	BBGE	
C[C@@H](CO)CN(C)CC(C)(C)C(=O)NN	688394392	HIYQXDZIUXRUKT-MRVPVSSYSA-N	217.313	-0.437	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]2COC[C@@H]21	700617954	AMNYWEAJDGCTQS-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
CCC(F)(F)Cn1ccc(B(O)O)n1	704716902	YZLYKWGILFKOSR-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
CN(C)C[C@@H](CCl)NS(=O)(=O)N(C)C	716777772	HPNZRVNSAAOLHZ-SSDOTTSWSA-N	243.760	-0.449	50	10	BBGE	
COC[C@@H](C)OCc1nsc(C(=O)NN)n1	724346521	YWGONEYTXBOBJK-RXMQYKEDSA-N	246.292	-0.307	50	10	BBGE	
CC(=O)NNC(=O)c1cncc(NC(C)=O)c1	773074346	XUVANDVOWQEZHG-UHFFFAOYSA-N	236.231	-0.179	50	10	BBGE	
COCCONC(=O)NNC(=O)c1ccoc1	789353066	RKHMALNMNGBVKC-UHFFFAOYSA-N	243.219	-0.198	50	10	BBGE	
C#CCNC(=S)NNC(=O)[C@H]1CCCO1	814207537	LDFZKXCLMLJKFT-SSDOTTSWSA-N	227.289	-0.706	50	10	BBGE	
O=C(COC(F)F)NNC(=O)[C@H]1CCCO1	814343433	VMFIYJUGHZXZRE-RXMQYKEDSA-N	238.190	-0.448	50	10	BBGE	
CCOCC(=O)NN=Cc1cncnc1OC	842528198	QQWIIZGILOKRRZ-UHFFFAOYSA-N	238.247	-0.028	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862892299	BKTQJSWSOSOXOA-BWZBUEFSSA-N	228.248	-0.752	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H]1C[C@H]2O	907717037	XMTJGHLDZSVOEK-DSYKOEDSSA-N	225.697	-0.032	50	10	BBGE	
OB(O)c1cccc(F)c1CN1CCOCC1	1232754922	OCKHZCYEXPJERU-UHFFFAOYSA-N	239.055	-0.662	50	10	BBGE	
C#CCO[C@H](C)C(=O)NN(C)C(=O)OC	1297676745	QBAIETUBBBRQBJ-SSDOTTSWSA-N	214.221	-0.246	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCN(C)[C@@H](C)C1	1322791229	KNGRZAMDDNRACM-YUMQZZPRSA-N	228.296	-0.323	50	10	BBGE	
Cc1nn(C)cc1C=NNC(=O)c1cn(C)nn1	1333708809	WIWMOZHKPKYTKZ-UHFFFAOYSA-N	247.262	-0.379	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1455575144	LDJKEINXGQPQDF-NSCUHMNNSA-N	246.230	-0.358	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cocn1	1584133063	QGKPZMDDIOUDFL-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@@]1(O)CCOC1	1626786816	UHVDWPHZUJPNHJ-SNVBAGLBSA-N	245.279	-0.732	50	10	BBGE	
Cc1ccnc2nc(C(=O)NN(C)C(N)=O)nn12	1630878102	NFVFWMKOJHBYKP-UHFFFAOYSA-N	249.234	-0.912	50	10	BBGE	
N#Cc1ccc(NNC(=O)C2(O)COC2)nc1	1634220982	SEZCYMIJLDDDAC-UHFFFAOYSA-N	234.215	-0.842	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)c1cc[nH]n1	1645306334	NAXFSMIIAZWITF-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccn(C)c(=O)c2)n1	1654550690	YDQRBNYMFCTBLT-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880023120	JDQSBHYBLFLOTN-SSDOTTSWSA-N	247.295	-0.142	50	10	BBGE	
NC(=O)[C@@H](N)CNC1CC(Br)C1	1880964424	JOOPNALGEVQSQO-WRVKLSGPSA-N	236.113	-0.686	50	10	BBGE	
CN(CCC(=O)NN)[C@]1(C)CCOC1	1884657350	FJMJZQSCLWGFJB-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
Cn1cnc(=NCCSSCCN)[nH]1	1885644648	FXIMWFQZYSPTAI-UHFFFAOYSA-N	233.366	-0.011	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)NN)CC1=O	1887642173	OVDDRPVTPWQKRH-LURJTMIESA-N	200.242	-0.878	50	10	BBGE	
NC(=S)NNC(=O)C12CCC(CC1)O2	1889063411	SXIYKOUPPLSRQY-UHFFFAOYSA-N	215.278	-0.438	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@H]1F	1895382219	SBRYOEAYHLMIOM-PHDIDXHHSA-N	224.000	-0.942	50	10	BBGE	
CO[C@@H](C)CCSc1ncc(B(O)O)cn1	1900316310	CRDYFQWVANRKSX-ZETCQYMHSA-N	242.109	-0.327	50	10	BBGE	
CNCCCC(=O)NN(C)S(=O)(=O)C1CC1	1901341712	YVYIDXCULXDKLR-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CN(NC(=O)CNC1CCCC1)S(C)(=O)=O	1901372906	DBFMKGCYQODZLB-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
OB(O)c1nnc([C@@H]2CCCOC2)s1	1904504361	QLZIHCRAWLCYMN-RXMQYKEDSA-N	214.055	-0.888	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)C[C@@H]1F	1907073053	UUHORIOLJGGCMG-SCZZXKLOSA-N	238.071	-0.054	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1907855884	PMKDNZFZTLQOJD-UKKRHICBSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1(CO)CCC1	1915005102	SLOGACLHGGMTBF-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CN1CC[C@H](CC(F)F)C1	1916671936	JOQXOLVHYASNRD-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CC(C)S(=O)(=NC(=O)C(=O)NN)C(C)C	1918071585	GQADPMQVJMJDNJ-UHFFFAOYSA-N	235.309	-0.212	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2C[C@@H]2C1	1928181623	OXPPTBVPFAMEGQ-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H]1CCS[C@H]1CNC(=O)C(=O)NN	1930911097	OEEMAQIZBUHVPN-RITPCOANSA-N	217.294	-0.766	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@H](C1)C2(F)F	1931857438	HDMNGGPEVPDFHL-VQVTYTSYSA-N	219.235	-0.048	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)NNC(N)=S	1934055416	UXWQWRVJHXEUPV-QMMMGPOBSA-N	216.310	-0.665	50	10	BBGE	
ClC[C@@]12CO[C@@H](CN1CCn1cnnn1)C2	1938145297	DCHFUFLRUSPKTL-BDAKNGLRSA-N	243.698	-0.245	50	10	BBGE	
CN(C)C(=O)[C@H]1CCCCN1CCC(=O)NN	1940303089	KNTUCAAVXCJWFJ-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H]2CCC[C@@H]21	1940891269	KPWAFGZCRGOCDL-JGVFFNPUSA-N	249.261	-0.135	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(CCOC2)C1	1940892423	FDZYUSYXTDXQID-VIFPVBQESA-N	249.261	-0.276	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@H]1C[C@@H]1C(=O)NN	1941085137	BUXZJFKCNXBBPY-BDAKNGLRSA-N	242.323	-0.944	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2COC[C@H]2C1	1941092797	MFPYCWOWXGBTNT-LMLFDSFASA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@H](C1=O)C2(F)F	1941092866	CMYOYDFTKKZQPK-BNHYGAARSA-N	245.229	-0.664	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCC[C@@H]1C(F)F	1951321753	FMCLDHXNKJDXDF-NTSWFWBYSA-N	221.012	-0.204	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(CF)C1	1955351145	GLGAOCZBJHLCDR-MRVPVSSYSA-N	203.261	-0.098	50	10	BBGE	
C[C@@](O)(CCO)CNS(=O)(=O)CCCl	1956049044	HTERWIPWPSIIHZ-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
CCC1CN(c2ccc(B(O)O)cn2)C1	1961679831	OSDBQWIXJBHEIV-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
CCON(C)c1nccc(C)c1B(O)O	1961692586	UZDCIDCLTOVMCI-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1962488068	SCSJFOHGQAKDHM-IONNQARKSA-N	209.249	-0.623	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC2(F)CC1C2	1974272893	NHGPGKIRNSMNIL-UHFFFAOYSA-N	249.050	-0.307	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)nc(C)n1	1974813198	MHNQJGWOAFIDRX-UHFFFAOYSA-N	225.277	-0.429	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(F)(F)C[C@H]1CO	1976196588	CVPUZBDBQUVMEG-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)[C@@H](C)C1	1977147701	SKICDRKXABRTEY-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CON(C1CCOCC1)[C@@H](C)CC(=O)NN	1978745368	CRYWWRNTOQXCDR-QMMMGPOBSA-N	231.296	-0.203	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNCCO)[C@H]1C(=O)O	1980927822	AHLVWVWIOFTRIG-BQBZGAKWSA-N	230.264	-0.654	50	10	BBGE	
CO[C@@H](C)CN(C)c1ccc(B(O)O)cn1	1981414611	UIXLOMCJPGROGX-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
C[C@@H](CN1CCOC[C@H]1C(F)F)C(=O)NN	1982687004	LQKUVLIVGIKVBC-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2OCC[C@H]12	1983237791	DESBDQPHCPIYDQ-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	1983561475	ZPVHLIFLOWZMER-IWSPIJDZSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)c1ccc(CSC2CNC2)nc1	1984168615	NOMQUTWQUQTOTJ-UHFFFAOYSA-N	238.316	-0.110	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)ccn1	1992146101	QHDGOVHGKNEXTM-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C=C(CN1CCOC[C@@]1(C)COC)B(O)O	1992147897	PGQKZGSIPFTSIU-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
O=C(C[C@@H]1C[C@@H]1C1CC1)NCC#CB(O)O	1992153988	UOFCJSLEKGOFEG-VHSXEESVSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN1CC(C)(C)[C@@H]2COC[C@@H]21)B(O)O	1992167433	KGZULSMBEUUFFG-ZJUUUORDSA-N	225.097	-0.089	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	2003751783	AUAONBXNLAVADW-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2CC2)C(=O)C1	2004023230	HRBBCTUEURBIGR-VIFPVBQESA-N	240.307	-0.939	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1c1ccccn1	2004373929	WIJUEDYLIPFAJH-VIFPVBQESA-N	234.259	-0.265	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N2CCCC2=O)C1	2004407030	ISPQDDIKBODKCX-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1ccccc1CN1CCC12COC2	2004489402	URNSJPMCNKSHIU-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
CN(CCC(C)(F)F)c1ncc(B(O)O)cn1	2004917157	VGZDNJDASOLUOK-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
NNC(=O)CCN1C[C@]2(F)CCC[C@@]2(CO)C1	2007743658	KQXFUDJWRBYVLM-WDEREUQCSA-N	245.298	-0.447	50	10	BBGE	
CO[C@H](C)CCN(C)c1ccc(B(O)O)cn1	2009690174	QMANQWUKYGXWTA-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
C[C@H](O)C1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010835101	KRKGXPAQAOWSHF-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H]1CN(CC(=O)NNC(C)=O)CCO1	2019208765	HVPDTFYTDBNJNA-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	2022761963	YFNCNEZRCHKFJS-NHCYSSNCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CCN(CC23CC(C(=O)NN)(CO2)C3)C1	2023853149	KGEKWAGRXYFFBQ-OIKLOGQESA-N	239.319	-0.133	50	10	BBGE	
CC[C@]12CO[C@](Cn3ccc(B(O)O)n3)(C1)C2	2025121673	ZJLFUGSUJUPSKW-PHIMTYICSA-N	236.080	-0.478	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	2026297965	SNZARJNGAFHWRC-VHSXEESVSA-N	243.307	-0.490	50	10	BBGE	
Cn1cc(CCOc2cccc(B(O)O)c2)nn1	2045899609	YKKJVXDMMTXSLC-UHFFFAOYSA-N	247.063	-0.884	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H]1N(C)C	2052492958	WWOAKNZLQLNREU-KOLCDFICSA-N	249.123	-0.852	50	10	BBGE	
CCc1c(B(O)O)cc(C=O)cc1[N+](=O)[O-]	2060036345	FFBUOFFZDNYXKK-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
N#Cc1cc(B(O)O)c(C(F)F)cc1C=O	2060235960	PCBWGXNIHYZAPE-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
N#CCN(CC#N)CC(=O)NNc1ccccn1	2075112288	KSNJHUQVYZRAGL-UHFFFAOYSA-N	244.258	-0.126	50	10	BBGE	
C[C@@H]1CC[C@@H]1Cn1cccc(B(O)O)c1=O	2211480108	HSPOTZHYLCIPFC-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@H]2C1=O	2211799528	ZIPYMCLVLPSFML-NTSWFWBYSA-N	233.218	-0.520	50	10	BBGE	
CC(C)(CN1CC(CCCO)C1)C(=O)NN	2212348442	FRVFYSPNYLQEBV-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
Cc1ccn(Nc2ccc(B(O)O)cn2)c1	2212605284	BDPQRBJNNNAFEM-UHFFFAOYSA-N	217.037	-0.253	50	10	BBGE	
CC[C@](C)(O)CNc1ncccc1B(O)O	2212606745	ZFZZEPOJSQITRL-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
Cc1cn(Cc2cc(B(O)O)cs2)ccc1=O	2214513258	JXAUUYFWOZXSCC-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215774791	FGYKZAUBQMFSBP-VHSXEESVSA-N	241.335	-0.295	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215777506	SXPSNITVWAARIG-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCOC[C@H]32)c1	2217174471	ZQWCUXGWXMAJBX-FXPVBKGRSA-N	234.064	-0.792	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@H]3C2)cc1B(O)O	2217185081	YGBSDXIMWAAONU-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CN1CC[C@@H](COc2cc(B(O)O)ccn2)C1	2217187607	BDQMGNHEVXRMLY-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
CC[C@@H](N)C[C@H](C)Oc1ncc(B(O)O)cn1	2217191470	KAQMSCGHPBTIHV-IONNQARKSA-N	239.084	-0.949	50	10	BBGE	
COC(C)(C)COc1nccc(B(O)O)c1F	2217193182	LHAVSWLJJPDZFK-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
COCC1=CCN(c2cc(B(O)O)ccn2)CC1	2223632373	IWSWNRFKWMSBQP-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
Cn1nccc1CCNc1cc(B(O)O)ccn1	2223646742	OSVPZSOXHYBXKZ-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(c2ncccc2B(O)O)C1	2223648762	PMIFSWFZYIEDJI-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2c1cc(B(O)O)ccn1	2223676844	GQZWZSBAHUJBEV-NHCYSSNCSA-N	248.091	-0.889	50	10	BBGE	
C#CC1CN(S(=O)(=O)N2CC(Cl)C2)C1	2241353010	AGSOQFWEVLMLAC-UHFFFAOYSA-N	234.708	-0.281	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)cs1	2241481493	SWIQMHNGQBZMHB-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
O=C(NCC(F)(F)F)[C@H]1C[C@@H]1B(O)O	2241496033	OQTGKNJQRQPPQX-IMJSIDKUSA-N	210.948	-0.472	50	10	BBGE	
Cn1cc(NC(=O)C2(B(O)O)CCC2)cn1	2243346987	GGYFIAWFASDCPP-UHFFFAOYSA-N	223.041	-0.244	50	10	BBGE	
CC1(CNC(=O)c2ccoc2B(O)O)CC1	2243349547	NAWSYUUPYPNLQQ-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)C1(B(O)O)CC1	2243365462	MUMPCFQFSKVFKY-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CCONC(=O)c1ncc(B(O)O)cc1Cl	2243378327	RAAYFZARXLNOJH-UHFFFAOYSA-N	244.443	-0.904	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)OC	2243390780	BEIFRWYAVRYRGF-OYNCUSHFSA-N	229.085	-0.219	50	10	BBGE	
CN(Cc1cncs1)C(=O)[C@H]1C[C@H]1B(O)O	2243396618	ONPFSTWECIFSKW-JGVFFNPUSA-N	240.093	-0.036	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCCCO1	2243398873	IKFZJTPUNURPLB-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
CN(C[C@H]1[C@H]2CCC[C@H]21)C(=O)C#CB(O)O	2243399284	LLLFVQGCKZLLFU-ILWJIGKKSA-N	221.065	-0.494	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2243404944	XBGLISGMUCIUOH-UYXSQOIJSA-N	227.069	-0.515	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)C1(C)CC1)B(O)O	2243413118	ZVMVFDAHBKNRDL-MRVPVSSYSA-N	247.125	-0.337	50	10	BBGE	
C[C@H]1COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243414240	WOMRJQRFZXYBNE-KRTGUUSXSA-N	227.069	-0.610	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CNC1	2243417291	RZYIVQNEPGTSSU-OCAPTIKFSA-N	226.085	-0.940	50	10	BBGE	
O=C(NN1CCCCC1)[C@H]1C[C@@H](B(O)O)C1	2243427546	XDYJRMZZJSMJMD-DTORHVGOSA-N	226.085	-0.244	50	10	BBGE	
C=CC(=O)Nc1cc(B(O)O)ccc1OC	2243684814	HMCGUGOTYGNNER-UHFFFAOYSA-N	221.021	-0.501	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)C(=O)NN)C1CCC1	2244881656	IUZAITUFPUIJBO-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@H]1CC2	2245199623	HDKQFLNGUKFNAQ-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1coc(B(O)O)c1	2247736666	YGBLCPYSRWEWCL-QMMMGPOBSA-N	241.052	-0.886	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2247740175	GYIUZFLSTTZKPS-GVJMRKKJSA-N	240.043	-0.685	50	10	BBGE	
O=C(C#CB(O)O)NCC12CCC(F)(CC1)C2	2247740475	LDUQVLPROQBMBH-UHFFFAOYSA-N	239.055	-0.210	50	10	BBGE	
COC1CC2(C1)C[C@H]2NC(=O)C1(B(O)O)CC1	2247751276	VUSBGANPDMDCAF-CCNFQMFXSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1C[C@H](N)CN(C(=O)C2(B(O)O)CCC2)C1	2247753610	BFSCMTCNUVIUID-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC=CC1	2247755259	CCRJBWXCABCENN-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
Cc1cccc(C(=O)NOCCF)c1B(O)O	2247760453	IHZBCNASTDNDCL-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786243	YCDCAKSPPKWBHK-JDDHQFAOSA-N	239.080	-0.467	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786503	BSZKZKUEKMFCMZ-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CC[C@@H]2O)C1	2247793273	WTCSPNNYNRCETC-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2247800077	KZRLXEHZDPOAIU-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)CN1	2247807970	SKSUOZZGGUFXGN-SEZDTBSWSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1C(=O)C1CC(B(O)O)C1	2247808795	MNHVEOFMXZTPAR-NFTFJBJSSA-N	240.112	-0.422	50	10	BBGE	
CC1(O)CCN(C(=O)C2(B(O)O)CCC2)CC1	2247877985	KXRUIGQIQKPEHZ-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)no1	2247899201	LHYZKNQBHXHVEW-NKWVEPMBSA-N	239.040	-0.801	50	10	BBGE	
CCCN(C)C(=O)c1ccc(B(O)O)cc1O	2247961484	GBJWDFZIHAOSJD-UHFFFAOYSA-N	237.064	-0.446	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2248577587	KGGGAKQBQWERKN-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
O=C(c1cocc1B(O)O)N1[C@H]2CCC[C@@H]1C2	2249412150	VPHPQDUZFCECAL-OCAPTIKFSA-N	235.048	-0.274	50	10	BBGE	
Cc1ccc(CNC(=O)C(C)C)cc1B(O)O	2253234363	BAGAOZSFPQGRRG-UHFFFAOYSA-N	235.092	-0.053	50	10	BBGE	
CN(CC1CC1)C(=O)Nc1ncccc1B(O)O	2254652951	ILFANYCXAYLNFL-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccncc1B(O)O	2255453080	OMIDFJSTRZTTIW-ONGXEEELSA-N	246.075	-0.710	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1C	2255513841	YVTMPSXRNYAKFT-NSHDSACASA-N	245.087	-0.184	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2255692754	WLZUCXFLUYDCPV-BDAKNGLRSA-N	246.075	-0.757	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)ccc2O)CCC1	2256018464	ZEMJQNILNVKEEU-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1nccnc1B(O)O	2256044437	JGRQTOWOGDSMDJ-QMMMGPOBSA-N	249.079	-0.759	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CN	2298369965	KHGKZTIMHMKHML-AXTSPUMRSA-N	240.112	-0.707	50	10	BBGE	
COC[C@@]1(C)[C@@H]2C[C@@H]2CN1C[C@H](C)C(=O)NN	2298470298	BZBJDGSIFFMXHW-XNDJQWLSSA-N	241.335	-0.031	50	10	BBGE	
N#CCCC1CN(c2ncccc2B(O)O)C1	2300566002	SINVCKJEZYFGMZ-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	2302404453	YTNVOBIBONPIQL-VPOLOUISSA-N	240.351	-0.221	50	10	BBGE	
CCn1ncc(CN2CC[C@@](C)(B(O)O)C2)n1	2303122563	FCVVPXQRTDEFIC-SNVBAGLBSA-N	238.100	-0.263	50	10	BBGE	
CC[C@](C)(CN1CC(=O)N[C@H](C)C1)C(=O)NN	2303427413	XZVSBOXBBDXFLU-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2CC[C@H]1C2	2312113758	ZZRAKMCYJGLGJU-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317163561	YFMLVKIZMVSNBM-BXKDBHETSA-N	246.075	-0.315	50	10	BBGE	
N#CC1(F)CN(Cc2ccc(C(=O)NN)nc2)C1	2317316658	KOYKRYDPXZYXAC-UHFFFAOYSA-N	249.249	-0.267	50	10	BBGE	
NNC(=O)CCC(=O)NCc1ccncc1	58863220	OWWPJXWAEABUJV-UHFFFAOYSA-N	222.248	-0.532	50	10	BBGE	
CC[C@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	82471422	QBYYIGCDSXWZKW-SCSAIBSYSA-N	214.185	-0.873	50	10	BBGE	
C[C@@H](C(N)=O)N1CC[C@@H](Br)C1=O	82606990	CUINXBLSOYFRIH-CRCLSJGQSA-N	235.081	-0.144	50	10	BBGE	
NC(=O)N/N=C(/CO)c1ccc([N+](=O)[O-])o1	95762550	WQKNUJXZXQMAKZ-WTKPLQERSA-N	228.164	-0.448	50	10	BBGE	
O=C1CN([C@H]2CCN3CCCC[C@@H]23)CC(=O)O1	111466026	WGDOESUKAOZOQI-UWVGGRQHSA-N	238.287	-0.001	50	10	BBGE	
CC(=O)N[C@H]1COC[C@H]1C(=O)CCl	156807443	IPZFRMNCQGELPG-RQJHMYQMSA-N	205.641	-0.055	50	10	BBGE	
N#CCC(=O)NCCNC(=O)CCl	169908992	RRHCPYFSDPILCI-UHFFFAOYSA-N	203.629	-0.629	50	10	BBGE	
N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	195848251	IEFBZGWJGRMSDE-YIZRAAEISA-N	226.085	-0.883	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)C[C@@H]1O	230356949	QTZBNMYRIMJGES-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
Cc1cnc([C@H](C)NC(=O)C(=O)NN)o1	231755565	KGAAFBVWLWGKLU-YFKPBYRVSA-N	212.209	-0.850	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)C(=O)NN)C1(C)C	233788118	GMCZELDMTUHLTA-BQBZGAKWSA-N	229.280	-0.704	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C)[C@@H](C)C(=O)NN	234362862	ROBNCUOBIMKXLX-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
Cc1nc2cc([C@@H](N)C(=O)NN)ccc2[nH]1	259037037	SHECKYBOQKOGMD-SECBINFHSA-N	219.248	-0.139	50	10	BBGE	
COCC[C@@H](CCl)NCc1nnn(C)n1	300816494	GOPMEHHAILIVIP-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CC1(Cl)Cl	306496487	DQKCEZFWYYSRTJ-GSVOUGTGSA-N	227.047	-0.680	50	10	BBGE	
NS(=O)(=O)CCN1CCSSCC1	307726970	DUCLQDBCRFWTJL-UHFFFAOYSA-N	242.391	-0.028	50	10	BBGE	
CC/C(NN)=C(/C#N)C(N)=C(C#N)C#N	308688958	SNMSUAMFPAXMKG-BQYQJAHWSA-N	202.221	-0.103	50	10	BBGE	
C[C@@H](CN1CCC[C@H](O)CC1)C(=O)NN	378810209	ZULNSUBHFMOTHJ-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C(=O)NN)C(C)C	381565366	SEZMITWUYXSASL-SECBINFHSA-N	230.312	-0.802	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	388627424	OMBOECWFXHWTTK-IWSPIJDZSA-N	215.297	-0.687	50	10	BBGE	
COc1ccc(CCC=O)c(B(O)O)c1	396032670	NWLNUSSNAHGJSG-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
Nc1c(C=O)ccc2c(B(O)O)csc12	396246023	PLDOUOKKCQBXJD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnccn1	404975300	AVZZCNWSZREDQY-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1CCOC1	404995355	HCXRIXPADOINHA-JTQLQIEISA-N	249.075	-0.981	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1ccnc(B(O)O)c1	405025242	ZZMAUYJKPLDTHY-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1cc(C#N)c(N2CCOCC2)c(B(O)O)c1	536952929	FKTWKCAEHBKLCF-UHFFFAOYSA-N	246.075	-0.617	50	10	BBGE	
C=CC[C@@H](CO)NC(=O)c1cccc(B(O)O)c1	584984898	DIOFCICJIHFMDG-NSHDSACASA-N	249.075	-0.967	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)CCC(C)C	586364476	LDZFYQGHQLDAPS-HNNXBMFYSA-N	234.321	-0.052	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H](C)CO	688396391	XUXOIAYEVVGCOM-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
COC[C@](C)(CO)N(C)S(=O)(=O)CCl	689208453	XQMJUJLFKNNAOV-ZETCQYMHSA-N	245.728	-0.158	50	10	BBGE	
C[C@H](C(=O)NN)N1CCSC[C@H]1CCO	689852611	WAMHSQSKUZYWBN-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
COC[C@@H]1CCCN1CCC(=O)NN	696549724	RGOSRQLKDCFYSY-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
Cn1ncnc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703423765	CLCCVQBXAQTFNR-BQBZGAKWSA-N	236.231	-0.769	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703798149	ZKALAACNJXEZIR-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
Cn1nnnc1CN[C@@H]1CCOC[C@H]1Cl	706757173	ZHCRVKBNGOGOLO-RNFRBKRXSA-N	231.687	-0.304	50	10	BBGE	
CCC(=O)N1CCc2cc(B(O)O)ccc21	712220798	XFPNBYYPRGFDGH-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
NCCC1(O)CCN(C(=O)CCl)CC1	722389221	JQBUWVOLTWDTKV-UHFFFAOYSA-N	220.700	-0.073	50	10	BBGE	
CN(CC1=[N+](C)CC=N1)[S@@+]([O])(=O)CCl	725701703	GDGNUDJSSDVWGM-UHFFFAOYSA-N	238.720	0.000	50	10	BBGE	
O=C(NN=Cc1ccncc1)[C@@H]1COCCO1	745208476	XLBYIMYWWOADFK-JTQLQIEISA-N	235.243	-0.053	50	10	BBGE	
C[C@H]1COC(=O)C1=NNC(=O)[C@@H]1COCCO1	794916104	XREDFNFDZQESIU-BQBZGAKWSA-N	242.231	-0.933	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)C1CC1	847285102	XOCSPDXSDDAKGL-JTQLQIEISA-N	214.265	-0.048	50	10	BBGE	
C[C@@]1(NS(=O)(=O)CCl)CCNC1=O	907810447	DPPPXTIZIBHOCB-ZCFIWIBFSA-N	226.685	-0.619	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1ccccn1	1135619510	XUURXDYTLFZAPG-MAHOQKISSA-N	235.243	-0.220	50	10	BBGE	
N#Cc1ccc(NNC(=O)c2nc[nH]n2)nc1	1177407430	JPRXHIOGLMFDGF-UHFFFAOYSA-N	229.203	-0.172	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc(NC)cn1	1348123678	RFOGXYVGBRSYBI-UHFFFAOYSA-N	238.251	-0.518	50	10	BBGE	
COCCN(C)NC(=O)Cn1nccc1N	1449367988	JAHDCEYYXHMSGE-UHFFFAOYSA-N	227.268	-0.925	50	10	BBGE	
Cn1ncc(C(=O)NNc2ccc(C#N)cn2)n1	1558271991	FLWZZXWGNLOIRQ-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
NC(=O)C1(O)CN(C[C@@H]2C[C@H]2Br)C1	1877481664	NDJDCQYVZHSJGB-NTSWFWBYSA-N	249.108	-0.698	50	10	BBGE	
Cn1nnnc1C[C@H](N)CBr	1880418646	TYQUBOFCGBGNHE-BYPYZUCNSA-N	220.074	-0.525	50	10	BBGE	
NCCONC(=O)[C@H]1C[C@H]1Br	1880434922	WNYUMTSFGXFFRA-CRCLSJGQSA-N	223.070	-0.224	50	10	BBGE	
CC1(O)CN(C(=O)C=CC(=O)Cl)C1	1883626405	GDOBVZIRPWVAHY-UHFFFAOYSA-N	203.625	-0.099	50	10	BBGE	
O=S(=O)(NC1CC(Cl)C1)c1nc[nH]n1	1885226613	LYRBFHNWGRDVRU-UHFFFAOYSA-N	236.684	-0.147	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	1889167106	GMOBKCBPPJLULW-CNYLLVADSA-N	205.208	-0.581	50	10	BBGE	
CC(C)[C@H](O)CN1CC[C@H](B(O)O)C1	1891490608	FIOSTMUQMCJPLX-DTWKUNHWSA-N	201.075	-0.448	50	10	BBGE	
COC[C@H](CO)NC(=O)C=CC(=O)Cl	1893410850	OUIMVRJCEBICRB-LURJTMIESA-N	221.640	-0.569	50	10	BBGE	
COC[C@@H](O)CNC(=O)C=CC(=O)Cl	1893410867	OZFMYHHZHJLKHY-LURJTMIESA-N	221.640	-0.569	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCONC1	1893417517	PFDIAULUXNJWAL-ZCFIWIBFSA-N	218.640	-0.282	50	10	BBGE	
C=C(COC[C@@H]1OCC[C@@H]1C)B(O)O	1895212007	LTPWPZQNIFXLFG-CBAPKCEASA-N	200.043	-0.004	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)C=CC(=O)Cl)C[C@@H]1O	1897273530	YOSZVULSNMDMNF-OIBJUYFYSA-N	247.678	-0.348	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1CCCC(=O)NN	1899736465	USBNCKWKFZBRFS-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
CS[C@@H](C)C(=O)Nc1ncccc1B(O)O	1899745906	WIQLAKKIVNXPKC-LURJTMIESA-N	240.093	-0.549	50	10	BBGE	
NNC(=O)CCN1CCc2nccn2CC1	1900382386	HKQQCHKMTPAWHX-UHFFFAOYSA-N	223.280	-0.879	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CCCCCCC(=O)NN	1900665115	OCMBGGCLLMJIFT-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@H](O)C1	1900666377	NKUIQZCWJOXBFV-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)CCCC(=O)NN)C1	1901753713	YVRGBBBTYOWJLL-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
Cn1ccnc1CCN1CC[C@H](B(O)O)C1	1902505785	LTDNRNVCZJDKPN-VIFPVBQESA-N	223.085	-0.489	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)COC2CC2)C1	1902521219	FSYQWZHHLOAHEA-SNVBAGLBSA-N	227.069	-0.369	50	10	BBGE	
Cc1scc(C(=O)N[C@@H](C)CF)c1B(O)O	1902865620	VMGVHXSMBBXLGZ-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907249406	CEKFKIZZEFEASK-ZRUFSTJUSA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCCC[C@H]1F	1910209874	MXVRCEYFTBHYLU-RKDXNWHRSA-N	240.043	-0.184	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914397428	YTQLTXOOSIBZEK-JGVFFNPUSA-N	213.281	-0.646	50	10	BBGE	
CON1CCN(S(=O)(=O)CCCl)CC1	1915570789	GBJUPTPJNPTJTB-UHFFFAOYSA-N	242.728	-0.266	50	10	BBGE	
COC[C@H]1CC[C@@H](N(C)CC(=O)NN)C1	1918713642	IKMGNFYMDALELK-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1CCC(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1927915257	DRCMODKLNQCBMG-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
Cc1c(Cl)cnn1CCOCC(=O)NN	1928180742	FDDMXZWRBLAFIG-UHFFFAOYSA-N	232.671	-0.149	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](OC)C1	1928691840	HOPYUGFMOWHHNC-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNCCO	1929835753	XMLDBKUQRWCRMQ-HTQZYQBOSA-N	202.254	-0.728	50	10	BBGE	
CO[C@H](CNC(=O)NN)[C@H]1CCOC1	1930526709	YWMSFSTWEZUMCL-NKWVEPMBSA-N	203.242	-0.789	50	10	BBGE	
Cn1nnc([C@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934445406	HXAZAESSNLNBSN-CRCLSJGQSA-N	236.684	-0.671	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H](C)C#N	1936528066	XVVYGTAOOLDLNO-SECBINFHSA-N	228.296	-0.526	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](O)CC2)CC1	1938248869	MHXBHSDWFRMJBQ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H](C)CN(C)C	1941089536	KODVJGQRAMRSRR-DCAQKATOSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCOCC(=O)NN)CCO1	1941772175	FNFXNECSBWTXDZ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCN(C)CCOc1ccc(F)cc1B(O)O	1943945504	MMEJGXHFWSIYDG-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
O[C@@H](CBr)Cc1nn[nH]n1	1951620981	GGLLRUFAFFGSNC-GSVOUGTGSA-N	207.031	-0.502	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@H]2COC[C@@H]21	1955232548	FPFXOBYQLSQFKO-FXQIFTODSA-N	219.668	-0.167	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CN(C)NC1=O	1955559438	QHRAGDLVXQIBDM-PHDIDXHHSA-N	219.672	-0.535	50	10	BBGE	
NNC(=O)NC[C@]12COC[C@@H]1C2(F)F	1955744904	FCYJKPHJXDRFRQ-NJGYIYPDSA-N	207.180	-0.559	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNC(N)=S)C1	1957318956	QYCIYKOTSMRNLO-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]21)C(=O)C(=O)NN	1957993877	DLDITMMINBKSJW-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
C[C@@]1(NC(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1958198550	GUWGHHKLGUPIDD-BBIVZNJYSA-N	225.170	-0.567	50	10	BBGE	
COC1CC2(C1)CN([C@@H](C)C(=O)NN)C2	1959269425	HATBKVSVUOVCDC-ZETCQYMHSA-N	213.281	-0.524	50	10	BBGE	
CN(CCc1ccsc1)C(=O)C(=O)NN	1961280164	MDWQDBIFWNBHKZ-UHFFFAOYSA-N	227.289	-0.261	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961927293	UBZKPKFSVCHIIT-QKAWAISNSA-N	233.695	-0.044	50	10	BBGE	
CC[C@]1(C)CCN1CCOCC(=O)NN	1974733972	LZPXUFDJSGWXCR-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CCCCN1c1ncncc1B(O)O	1981414789	WCRPCMWIGHKSRZ-MRVPVSSYSA-N	221.069	-0.465	50	10	BBGE	
CCOC[C@@H](C)Oc1ncccc1B(O)O	1981429297	BZZAQSJKHWBLRI-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
OB(O)c1cnc(Sc2ccncc2)nc1	1981454973	RVAXODMOEBIOAK-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CCNC(=O)[C@H]1CNCCN1C[C@@H](Cl)C#N	1982214135	QHDZEQFLPSJRNG-DTWKUNHWSA-N	244.726	-0.473	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)CC1(C)C	1982500023	PIRMRJVKSCPGGX-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@@H]1CF	1985768392	YDPQCGDOCLAXGG-CIUDSAMLSA-N	233.287	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	1986053753	XHEAWPUVSOYBAF-UTINFBMNSA-N	227.308	-0.136	50	10	BBGE	
CC(C)[C@@H](OCCn1ccnc1)C(=O)NN	1986444924	HSWHXVWSZLEFJF-SECBINFHSA-N	226.280	-0.086	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	1987531299	QQPJHXQIRDLGFA-UTINFBMNSA-N	224.308	-0.999	50	10	BBGE	
C[C@@H]1C[C@H]1OCC12CC(C(=O)NN)(CO1)C2	1993882450	WBKBOOUBFCAOCU-YJTAMFCSSA-N	226.276	-0.050	50	10	BBGE	
COCCOC[C@@H]1CCN(CCC(=O)NN)C1	1996914893	XLSWLPOXCXLEAB-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2CC2)C(=O)C1	2004024237	SCBNLNDRKZCMRX-MRVPVSSYSA-N	240.307	-0.939	50	10	BBGE	
CC[C@H]1CCCCN1c1ncc(B(O)O)cn1	2004911805	LKERNUMEWMQXQN-JTQLQIEISA-N	235.096	-0.075	50	10	BBGE	
CN(Cc1ccsc1)c1ncc(B(O)O)cn1	2004916922	RNCRMZYJXLOYJH-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1ccc(B(O)O)cn1	2004951718	NXRUEYYALBEUIS-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
Cc1cc(N2CC[C@H]2C(F)F)ncc1B(O)O	2005013763	AHSLMJUHTWVTJO-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
CN(C)CCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	2007032000	VJOXSADDGBZYTB-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CC(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	2008280473	HPAIJEOXFYLLQO-HTRCEHHLSA-N	243.068	-0.535	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN(CCO)C2CC2)C1	2010834496	DFCZQKXQLQPDJI-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2CC[C@H]2N)CC1	2011703424	PTQGNJXDTIIXEY-VHSXEESVSA-N	237.303	-0.009	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCOC[C@H]2C1)C(=O)NN	2013061926	FTEGFHVBPXIXJJ-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cc(F)ccc1B(O)O	2014605643	RXAYUDDIQQCTMQ-XVKPBYJWSA-N	240.039	-0.081	50	10	BBGE	
O=C(C[C@@H]1CCCOCC1)NCC=CB(O)O	2020067508	IHMBRPGTSMZKGC-SNVBAGLBSA-N	241.096	-0.122	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCCC[C@H]2F)nc1	2020493187	IXXPVDUCTGSKGZ-BDAKNGLRSA-N	240.043	-0.184	50	10	BBGE	
CN1CC(N(C)Cc2cncc(C(=O)NN)c2)C1	2028805471	ZRYNLJNKCAGQRQ-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
Cc1ncnc(N2CC3CCC2CC3)c1B(O)O	2052553255	FJLGBCAYZZOTST-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C)[C@H](C)C2)c1B(O)O	2052554340	SRGIGSYITSZLSV-DTWKUNHWSA-N	249.123	-0.053	50	10	BBGE	
CCc1ccc(B(O)O)c(F)c1[N+](=O)[O-]	2060084378	RLWNNGJVTGUIIP-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1c(F)cc(C=O)cc1B(O)O	2060112360	LTENSCYQHHYIAS-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
N#Cc1ccc(B(O)O)c(C(F)F)c1C=O	2060230602	PFSNJSKYLGHIPY-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1cc(B(O)O)ccn1	2212602529	FVBMWKOKEPOYTJ-IONNQARKSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccnc(Nn2cccc2)c1F	2212605545	GSZLOIXSUUOHEP-UHFFFAOYSA-N	221.000	-0.423	50	10	BBGE	
C=CC[C@@H](C=C)Oc1ncc(B(O)O)cn1	2212612597	JIVCEIZHFZZVSK-SECBINFHSA-N	220.037	-0.334	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H](S(=O)(=O)NCB(O)O)C1	2212629371	YTMPWZVWMJUPEM-OCAPTIKFSA-N	249.141	-0.258	50	10	BBGE	
OB(O)c1ccc(=NCC2CCOCC2)[nH]c1	2217177578	KPTUCPQNOMOAPS-UHFFFAOYSA-N	236.080	-0.978	50	10	BBGE	
Cc1nc(CNc2ccc(B(O)O)cn2)no1	2217178855	BPAIHZWLKTYOMY-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
CNCCCCN(C)c1cc(B(O)O)ccn1	2217179274	ITXDMGQYZJBXLX-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2217180830	LCYCPDWSWJNPFW-ZOZBQHSOSA-N	231.064	-0.777	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1nccc(B(O)O)c1F	2217182320	CAGKYPOGHNYASM-XPUUQOCRSA-N	240.043	-0.653	50	10	BBGE	
OCC[C@H]1CCCN1c1ccc(B(O)O)cn1	2217196139	PQLLHBPSUKJCDM-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
Cc1ncoc1CN(C)c1cc(B(O)O)ccn1	2223632487	KJOQOSQJIZGXNT-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@@H](N)C1	2223648245	JAEPEFBCETWJEF-ZJUUUORDSA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCC[C@H]2NCC3)nc1	2223670389	XETXVGKPJDDSEC-ZYHUDNBSSA-N	247.107	-0.542	50	10	BBGE	
O=C(NCC(F)(F)F)C1(B(O)O)CC1	2241473973	UIJYQSIHDFULTD-UHFFFAOYSA-N	210.948	-0.328	50	10	BBGE	
CC1(C)CN(C(=O)C#CB(O)O)CC1(F)F	2243350149	WLGVUJUEOYUUDY-UHFFFAOYSA-N	231.007	-0.495	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)o1	2243361475	BVLCCAGDXRGDFP-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
N#C[C@@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2243362397	QIAHDJMRQRSEIS-IUCAKERBSA-N	220.037	-0.800	50	10	BBGE	
O=C(N1[C@@H]2COC[C@H]1C2)C1(B(O)O)CCC1	2243363778	MGHYHABGPDZKPY-OCAPTIKFSA-N	225.053	-0.617	50	10	BBGE	
CCN(C)C(=O)c1cc(C)cc(B(O)O)c1	2243367099	NTOGXLWRJRSURK-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1sncc1B(O)O	2243377757	GQFYHTXRTXTTQF-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243396324	KTGWVIIZEYIHNK-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)C1(B(O)O)CC1	2243397389	AAZWEAXVTOXQKP-PRJMDXOYSA-N	225.053	-0.856	50	10	BBGE	
CCCCN(C)C(=O)c1nscc1B(O)O	2243397703	HTKZFAKFGCPNGG-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2C[C@H]1C(F)(F)C2	2243399579	NVKVIOXSFRZFLI-BQBZGAKWSA-N	228.991	-0.742	50	10	BBGE	
O=C(C#CB(O)O)NCCCCC(F)(F)F	2243401718	VYLIVHDTNRUQKY-UHFFFAOYSA-N	236.986	-0.149	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2243420437	SPAUDAWGUAGCBL-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2243427030	PEZOFVFHMLWKJP-NESWFBESSA-N	221.065	-0.284	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(C1)CC2(F)F	2243427648	YLLBNFSSLFWVSU-RITPCOANSA-N	231.007	-0.283	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)C1(B(O)O)CC1	2243751790	AZNHEQGNDWIZDB-UHFFFAOYSA-N	229.041	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(c2nncs2)C1	2244050844	BAHVQHQEPHBANO-LURJTMIESA-N	241.320	-0.294	50	10	BBGE	
C=CCN(OC)c1ncc(B(O)O)cc1C	2244271635	GNBSIXSLBNSMMK-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
Cc1nc(OC2(C)COC2)ccc1B(O)O	2245007557	COYRFOMVBUYKSG-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
C#CC12CC(CCN1C(=O)C#CB(O)O)C2	2245057395	DACRQUVMDRLIKB-UHFFFAOYSA-N	217.033	-0.984	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@]2(C1)CC2(F)F	2247737207	DVWAIVAYGFNCGJ-VXNVDRBHSA-N	243.018	-0.304	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247738489	QZEVMBPRXAEBBP-BHNWBGBOSA-N	236.080	-0.531	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2)ccc1B(O)O	2247752959	YXKUAZROEGUNBY-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
O=C(N1CC[C@@H]2CNC[C@H]2C1)C1(B(O)O)CC1	2247753788	CPMCWEMTFJROPZ-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cccc(F)c1B(O)O	2247758521	LQMPUYWAFHMLLI-MUWHJKNJSA-N	237.039	-0.356	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@H]1CCO	2247786923	IPCSONLEMRCHMU-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCN2CC[C@H]1C2	2247797015	FNSVGRCBWCPIKS-GUBZILKMSA-N	238.096	-0.844	50	10	BBGE	
Cc1cnn(C)c1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247797248	HPNCCTFVCKOSKW-HTQZYQBOSA-N	237.068	-0.792	50	10	BBGE	
Cc1ncc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1C	2247798016	PLNHDMOICLMVGY-RKDXNWHRSA-N	237.068	-0.792	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247807034	GZNQSOSXLZWECG-JXUBOQSCSA-N	241.096	-0.221	50	10	BBGE	
NC[C@@H]1CCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247851696	IMYGUGWHBOXQME-AUXWQGHOSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC1CCCC1)c1ncccc1B(O)O	2247868822	IHESMPOJVBCUCE-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@H]2C)c1	2247873784	GSLZEIJXVHFBMG-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
C#CCC[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2247878858	OGFJJKRMDJVJSI-SECBINFHSA-N	239.080	-0.726	50	10	BBGE	
CN(CC12CC(CO1)C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2247887433	ODTVOSWIXWROGM-GWMJWBFUSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1[C@H](NC(=O)C2CC(B(O)O)C2)CCN1C	2247891701	MSMSFQFIFMDHLN-AUXWQGHOSA-N	240.112	-0.552	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897013	MYHIMPAOKRKCFL-IVZWLZJFSA-N	240.112	-0.552	50	10	BBGE	
O=C(NOCCF)Nc1ccc(B(O)O)cc1	2247971424	NLYNZYMJEOWASJ-UHFFFAOYSA-N	242.015	-0.611	50	10	BBGE	
O=C(NCC1CC1)c1cc(B(O)O)ccc1O	2248029039	SSBAXPGGEHQHIN-UHFFFAOYSA-N	235.048	-0.788	50	10	BBGE	
CC1=CCCN(C(=O)c2cocc2B(O)O)C1	2249416456	RWBYCRNIHUGPLD-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C(=O)C1(B(O)O)CC1	2255492306	JIBJEAYSPZAWPI-SSDOTTSWSA-N	249.079	-0.170	50	10	BBGE	
O=C(N[C@@]12CCCC[C@@H]1C2)c1n[nH]cc1B(O)O	2255547763	PDKLAFRVLOQDJL-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1n[nH]cc1B(O)O	2255763955	UFLLLOIKVJQXQE-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC[C@@H]2C[C@H]21	2261405920	LEXLHJIYDNFJGF-MWLCHTKSSA-N	247.107	-0.733	50	10	BBGE	
CCC(CC)CCn1cc(B(O)O)cnc1=O	2300701510	SCYILZNXKWEKLV-UHFFFAOYSA-N	238.096	-0.251	50	10	BBGE	
C[C@@H](COc1cccc(C(N)=O)c1)C(=O)NN	2301607819	ICVOXZMZICMFEZ-ZETCQYMHSA-N	237.259	-0.210	50	10	BBGE	
COCCOCCCN1CC[C@@](C)(B(O)O)C1	2303096824	IVEMDTTWUYWVFK-LLVKDONJSA-N	245.128	-0.022	50	10	BBGE	
CCN1CCC[C@H](N2CC[C@H](B(O)O)C2)C1=O	2303157538	AAEJZYKULUEXHK-UWVGGRQHSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H](O)CN(C(=O)C#CB(O)O)C1CCCC1	2303321013	JCLNKQGHZBYKKX-SECBINFHSA-N	239.080	-0.846	50	10	BBGE	
CC[C@](C)(CN(C)CC(=O)N(C)C)C(=O)NN	2303425141	ZURYOCKSTAAGOP-LLVKDONJSA-N	244.339	-0.587	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@H]1C[C@H]1N	2303851924	HMHABHXILMSIAB-CCGCGBOQSA-N	240.043	-0.985	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@H](F)C1	2307398644	UTCINPAXBUKUTQ-LJGSYFOKSA-N	238.027	-0.552	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c1B(O)O	2309539140	MDANDUHRDATGOO-XKNYDFJKSA-N	245.091	-0.691	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2309543815	GCGKRHQZQGSAIU-VGDYDELISA-N	244.103	-0.086	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@@H]1C2	2312848013	FRSGUMZUUCTKNW-AUTRQRHGSA-N	248.091	-0.387	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCCOC1	2317166230	SNPOKXYIKBGMCQ-LLVKDONJSA-N	246.075	-0.171	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C=CCN2)cc1B(O)O	2317310707	DRDORUNLAYDGOO-NSHDSACASA-N	246.075	-0.881	50	10	BBGE	
CN[C@@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2317813081	XUQSTKKGFYACOX-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1CCc2c(B(O)O)cccc21	2319324771	ZOKHKAMAYHKESH-JTQLQIEISA-N	243.071	-0.168	50	10	BBGE	
NNC(=O)Cn1ccc2ccccc2c1=O	71514213	ZTIHXKJTGMKXJL-UHFFFAOYSA-N	217.228	-0.009	50	10	BBGE	
NC(=O)c1[nH]cnc1NC(=O)CCl	83343870	AOFVLEZYFBXBTC-UHFFFAOYSA-N	202.601	-0.314	50	10	BBGE	
CC(=O)NNC(=O)CSCC1CNC1	85444597	HFGFFXXGTFBADC-UHFFFAOYSA-N	217.294	-0.894	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@](O)(CCl)[C@H]1O	117819698	DPQRLGLZWCGBGE-ARQDHWQXSA-N	217.048	-0.727	50	10	BBGE	in-vitro
C[C@@H](C(=O)NN)N1CC[C@@H](N2CCCC2)C1	223087320	ACTGHUSIFIOJKP-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223681428	ONYJBYXZFVLNOU-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CN(C)NC(=O)c1ncccc1C#CCO	231790252	NMXSVEGQKIAYJF-UHFFFAOYSA-N	219.244	-0.368	50	10	BBGE	
C[C@@H](CCO)NS(=O)(=O)CCCl	232301028	NXQUBOFHYIYMPM-LURJTMIESA-N	215.702	-0.085	50	10	BBGE	
COC[C@H](OC[C@@H]1CCOC1)C(=O)NN	232418344	YGOFUBILNBBAMT-SFYZADRCSA-N	218.253	-0.956	50	10	BBGE	
C[C@@H](O)C1CCN(CCCC(=O)NN)CC1	235241524	ROFPFQIDHSEWKH-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCSC1	251536478	HQOVNOGLBHSROV-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCC[C@H]1O	252933262	VSAARDLIUGAJLT-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)Cn1c(O)nc(=O)c2sccc21	304500248	DVEPMGWVZCFQAU-UHFFFAOYSA-N	240.244	-0.847	50	10	BBGE	
CC1(CNC(=O)NNC(N)=S)CC1	306197131	WXZIQHGCRCMTBG-UHFFFAOYSA-N	202.283	-0.166	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1[C@H](C)CC(=O)NN	307265254	FXKQFHACIDCBFK-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
C[S@@](=O)C1(CNC(=O)NN)CCC1	307478833	NRTNIUDQYJPPAN-CYBMUJFWSA-N	205.283	-0.540	50	10	BBGE	
CSCC(=O)NNC(=O)c1nccnc1N	309316177	YVRJPXYXCLVBIM-UHFFFAOYSA-N	241.276	-0.817	50	10	BBGE	
C/N=C(/NC)SCC(=O)NNC(C)=O	386491265	UKWPKOXQEDIFER-UHFFFAOYSA-N	218.282	-0.908	50	10	BBGE	
C[C@@H](CN)SCc1nc(C(=O)NN)co1	387063826	XDJLCEVKFNVVAL-YFKPBYRVSA-N	230.293	-0.142	50	10	BBGE	
COC(=O)c1ccc(CC(C)=O)cc1B(O)O	396136609	JGBSFVPCIZTHJP-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
O=Cc1cc(B(O)O)c2c(CO)csc2c1	396343333	VYQLGVQBCFTIOY-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(CC[S@](C)=O)C[C@@H](Cl)C(=O)O	398964417	QSUMOBHJFRMZKM-UANNBLPKSA-N	227.713	-0.011	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1CSC	399994685	IXIHPYQAMGTHPY-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(CCCF)CC1	402773761	KKCYORVAYDFEQF-JTQLQIEISA-N	246.330	-0.268	50	10	BBGE	
CN(N)C(=O)[C-]1N=S=C=C1Br	642865052	RAURYPALHPDEMM-UHFFFAOYSA-N	235.086	-0.190	50	10	BBGE	
Cc1nn(C[C@@H]2CCCO2)c(C)c1B(O)O	694271154	PDHOMBMBWBIFRW-VIFPVBQESA-N	224.069	-0.641	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708084068	YVATYGZTNNQALZ-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CN(C(=O)c1nnn(C)n1)[C@@H]1COC[C@H]1Cl	709265637	FNKZBSQURHDZLA-PHDIDXHHSA-N	245.670	-0.712	50	10	BBGE	
CC[C@@]1(O)CCCN([C@H](COC)C(=O)NN)C1	710210535	RCDHNUBSQSGMAG-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
O=C(C1=NCN=C1)N1CCOC[C@@H](Cl)C1	725690805	WMHGOBQPHXLJCV-ZETCQYMHSA-N	229.667	-0.065	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1C[C@H](C(N)=O)C1	862817836	ARHJBVZHFCWRHB-WMSHOBRNSA-N	237.259	-0.190	50	10	BBGE	
CCC/C=C/[C@H](O)C(=O)NNC(=O)NC	900353479	VWHOGFKNODWHAX-XPPMVYLVSA-N	215.253	-0.336	50	10	BBGE	
Cc1[nH]nc(C(=O)N2CC[C@H](B(O)O)C2)c1C	1118976461	XEIFNBFQSJJMGT-QMMMGPOBSA-N	237.068	-0.285	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNC(=O)NC1CC1	1292120036	ZFXWCRFXOJQKKA-WAYWQWQTSA-N	240.263	-0.876	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cccnn1	1329272771	DVJFYWMXOYBWRT-UHFFFAOYSA-N	210.193	-0.180	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNc1nnc(C)c(O)n1	1638093442	AQJHHJYYISLSIL-UHFFFAOYSA-N	249.234	-0.326	50	10	BBGE	
O=C(CO)NNC(=O)CC1CC(F)(F)C1	1641424657	WZNSUZRXVAPTCX-UHFFFAOYSA-N	222.191	-0.439	50	10	BBGE	
O=C(CO)NNC(=O)Cc1ccc(O)c(F)c1	1654450834	GQFHVTCXPDKAGR-UHFFFAOYSA-N	242.206	-0.787	50	10	BBGE	
CO[C@H]1CN(C(=O)NN)CC[C@H]1OC	1877607734	ABVXKWYXVRITLH-RQJHMYQMSA-N	203.242	-0.695	50	10	BBGE	
NC(=O)C1CN(C(=O)[C@H]2C[C@H]2Br)C1	1883530689	GAROZZCDZMCSGT-NTSWFWBYSA-N	247.092	-0.287	50	10	BBGE	
N[C@H]1C[C@H]2CN(C(=O)F)CCN2C1=O	1887186915	UIBDSVUSKMWYLV-WDSKDSINSA-N	201.201	-0.680	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1[C@@H]2C[C@@H]1CN2	1893411212	UDVLRYNYBBFFBB-QIOHGKGESA-N	214.652	-0.216	50	10	BBGE	
NCCN(CCN)C(=O)/C=C/C(=O)Cl	1893504150	CUOOGLLIWVCDIV-OWOJBTEDSA-N	219.672	-0.946	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cnsc1B(O)O	1900453332	WPLAJMBPDKOLRM-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
OB(O)c1csc(COC[C@H]2CCOC2)n1	1902652542	HLTJJRLTQPBSSJ-ZETCQYMHSA-N	243.093	-0.624	50	10	BBGE	
CC(C)(C)[C@H]1CC[C@@H]1NC(=O)C#CB(O)O	1902698763	ZNFYPKMDVVJLAC-IUCAKERBSA-N	223.081	-0.057	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@H](CC)C(=O)NN	1908899905	RSOXDCWQUDMZAU-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1cc(B(O)O)ccc1F	1910489436	QPSPVYKQQXOUGZ-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
CC[C@@H]1C[C@H]1COc1ncc(B(O)O)c(C)n1	1910813178	BOMBOCIKWYUZAG-BDAKNGLRSA-N	236.080	-0.110	50	10	BBGE	
CC[S@](C)(=O)=N[C@@H](COC)C(=O)NN	1913889107	UOGBPZKMKQYIQK-MDAAJZPYSA-N	223.298	-0.891	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CC[C@@H](O)C2)CC1	1914062864	OQTBKNJCAHUWDB-SECBINFHSA-N	239.275	-0.477	50	10	BBGE	
C[C@@H](CN1CC[C@@]12CCOC2)C(=O)NN	1915573634	RWSXBLMKBBLCID-WPRPVWTQSA-N	213.281	-0.523	50	10	BBGE	
CC1(NC(=O)CCl)CS(=O)(=O)C1	1918429117	SAYVRSVYTBLZCX-UHFFFAOYSA-N	211.670	-0.472	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929912498	ICFKIQQBHOADTN-ULAWRXDQSA-N	219.260	-0.985	50	10	BBGE	
C[C@@]1(CCl)CN(C[C@@H](O)CO)C1=O	1931733185	GPIWIWMSSADRFA-HTRCEHHLSA-N	207.657	-0.573	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1COC[C@@H]1O	1933390814	ZHNGIQOBTZOYSJ-QYNIQEEDSA-N	207.657	-0.263	50	10	BBGE	
CN(C)C[C@H](Cl)Cc1nnn(C)n1	1934422464	WFYBUXVKVABPLC-ZCFIWIBFSA-N	203.677	-0.078	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C(=O)N1C	1936021850	MBBQPIWAKPAYDQ-YFKPBYRVSA-N	236.222	-0.633	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCc2nc[nH]c2C1	1936029290	OLWFJXNXYKQMCJ-YFKPBYRVSA-N	239.304	-0.621	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCO)CC(F)F	1936095038	SSGFOKMIVDZDMJ-RNFRBKRXSA-N	237.250	-0.828	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC(C)(C)CO	1938122339	NQPHMEGLLCKFGB-DTWKUNHWSA-N	231.340	-0.049	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@H]1O	1938246688	KPZXDQLUMAUEMF-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)C1=O	1938248570	ICJOZNBVXJEPJN-UHFFFAOYSA-N	226.280	-0.486	50	10	BBGE	
CC1(CO)CN([C@@H](C(=O)NN)C(C)(C)C)C1	1940019172	WDDCRLXZZUBHNR-QMMMGPOBSA-N	229.324	-0.295	50	10	BBGE	
CN1CC[C@H](CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082791	IUPYOHBZJYSYIT-GARJFASQSA-N	240.351	-0.504	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941086853	KHDABLOXFUZPPB-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
CCc1nn([C@H]2CCCO2)c(CC)c1B(O)O	1944688770	JNMIBOZNFIENID-SNVBAGLBSA-N	238.096	-0.003	50	10	BBGE	
CCN(C)[C@H]1CCN([C@H](COC)C(=O)NN)C1	1948374916	OWQHGGQTVYDTNV-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CO[C@@]1(CN2CC[C@@H](B(O)O)C2)CCOC1	1951322245	ZFHHRLIIULIOAN-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(NC(N)=O)C1	1955959815	HCHCOZIVPTVZRG-LURJTMIESA-N	219.672	-0.117	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1957559025	GRPYNJUUXKSTJR-IXTJBZSOSA-N	233.695	-0.140	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H](O)C1	1961137550	SLNNJZRNUUEUAQ-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1N(C)CC(=O)NN	1961284656	HZBFPIPIUYWGSK-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC([S@@](C)=O)C1	1961562537	CQYGHZJEYSLRQT-NZFNHWASSA-N	233.337	-0.792	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N(C)C2CC2)C1	1961821283	ZTTIDOWYXFKNPA-SSDOTTSWSA-N	212.297	-0.857	50	10	BBGE	
CC[C@@H](COC)N(C)[C@H](COC)C(=O)NN	1979240527	DIESDROMSNVBRI-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CN(C[C@@H]1CCCC1(F)F)C(=O)C(=O)NN	1979482282	LAHSZVPDGKSFGN-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1CCC(=O)NN	1980303676	ZMSQPAACGCBNSC-SSDOTTSWSA-N	223.280	-0.323	50	10	BBGE	
C[C@H](CN1CCOCC2(CC2)C1)C(=O)NN	1981013938	CVGHPCURPCYHKE-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	1981410328	YGYSKUCOKDSBBA-KWQFWETISA-N	218.065	-0.392	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]2C1	1981425063	BUZZGTWJOJRBSC-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2C[C@H](C)C[C@H]2C1	1985229040	POTITBMPAATAKE-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC(CF)CF)O1	1985997642	QBQYRKFXYRGYST-POYBYMJQSA-N	238.234	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)COCCn1ccnc1	1986446001	QVGIWMCIJIJETL-UHFFFAOYSA-N	234.206	-0.475	50	10	BBGE	
O=C(C[C@H]1CCCCO1)NCC=CB(O)O	1991338831	SSMYUVPEYDSXOG-SECBINFHSA-N	227.069	-0.370	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NCC#CB(O)O)O1	1992134180	JIVWRPPDBGEJMD-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C[C@H]1OC	1992783529	XQKGSAMQDLMWBA-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CCC12COC(CNC(=O)C(=O)NN)(C1)C2	1994650750	XEVIHEWRQUEHCH-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
Cc1ncnc(CN(C)CC(=O)NN)c1C	1995109785	NEJWUWWTSZRGFN-UHFFFAOYSA-N	223.280	-0.485	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccc(B(O)O)cn2)C[C@H]1F	1996646007	QTBMRVTZCGCBKX-GMSGAONNSA-N	238.027	-0.552	50	10	BBGE	
CN(Cc1cn(C)cn1)C[C@H]1C[C@@H]1C(=O)NN	1997728699	RFZKOXMCTAUVOP-SCZZXKLOSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]2(CO)CCC[C@H]12	2000937615	NAOQTUCRFLEAEQ-GZMMTYOYSA-N	241.291	-0.870	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CN(C)CC[C@H]21	2004170823	PRKZHCRCTSRAJS-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H](F)C2)ncc1B(O)O	2004972508	GXJLRKNFTSYIOO-RCOVLWMOSA-N	239.059	-0.741	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@]2(C)C1	2005017800	KJRYKKSUBREMQR-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
Cc1ccnc(N(C)C2(C)COC2)c1B(O)O	2026723591	ADRQJTDJKHOLGB-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc2c(N)ncnc21	2028051917	NUHYXRUICSAPGJ-PHDIDXHHSA-N	247.262	-0.966	50	10	BBGE	
CN(CC1[C@@H]2CCC[C@@H]12)c1ncncc1B(O)O	2052467463	QWPYKCZHQKALSG-RKDXNWHRSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnccc1N1CCN(C2CC2)CC1	2052487316	LWBOWNMJBVVSJG-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cnc(C(C)C)n2)n1	2052597091	NMJVNPVKURAVLT-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cn1ncc(B(O)O)c1OCc1ccccc1	2059928671	QADBVQKVGFLLJF-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
COc1cc(OC(F)F)cc(C#N)c1B(O)O	2060292617	JHCLQIFPWVBTQN-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1ncc[nH]1	2077808245	ZSEJLJUQTZBGFT-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
OB(O)c1csnc1CO[C@H]1CCCOC1	2211141746	XRRUSUWPWJYRSO-ZETCQYMHSA-N	243.093	-0.482	50	10	BBGE	
CC[C@@H](CN)COc1ncccc1B(O)O	2212605307	BMCYLYFWDFYJEX-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)N(C)C	2212605529	GMRSXFOPYIWDRS-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
CC1(CN)CN(Cc2cccc(B(O)O)c2)C1	2214606214	UHVRYXIPONHNSX-UHFFFAOYSA-N	234.108	-0.853	50	10	BBGE	
OB(O)c1ccnc(NCc2ccncc2)c1	2217172792	MMVZFIMLUJYKNY-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
C[C@@]1(CNc2ncc(B(O)O)cn2)C=CCC1	2217178507	WUHXPZFTEQWIRX-LLVKDONJSA-N	233.080	-0.075	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CCC2(F)F)[nH]c1	2217180201	FWSDTQVWUMSCEN-SSDOTTSWSA-N	242.034	-0.360	50	10	BBGE	
CCC[C@@H](COC)Nc1ccc(B(O)O)cn1	2217185029	SYQXMYACAHEHFI-JTQLQIEISA-N	238.096	-0.012	50	10	BBGE	
CCC[C@@](C)(CN)Oc1ccc(B(O)O)cn1	2217193715	WPYOTGJOFDDKOE-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
CN1CCC[C@H](Nc2ncccc2B(O)O)C1	2217198437	AWSVSZAAWSCBOI-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
CC[C@H](O)[C@@H](CC)Nc1cc(B(O)O)ccn1	2217198990	IYKXLUAIVZAKJG-ZJUUUORDSA-N	238.096	-0.277	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1Nc1ccc(B(O)O)cn1	2217200030	QINRYSQEIJYXSV-ZJUUUORDSA-N	235.096	-0.734	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1CO	2220071558	IIIIFCPFQJGEPJ-CMPLNLGQSA-N	249.119	-0.573	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC3(CCC3)[C@H]2O)nc1	2223643940	CEKAILSUUVLVQO-ONGXEEELSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccc(NC23CCC(CC2)OC3)nc1	2223652010	FQAVQZVTIOIING-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1B(O)O)C2	2223668713	ABVCTWJFQVNLEZ-AEJSXWLSSA-N	247.107	-0.923	50	10	BBGE	
N[C@@H](CNc1ccc(B(O)O)cn1)c1ccco1	2223678675	GCYVEAVAZXORMK-VIFPVBQESA-N	247.063	-0.534	50	10	BBGE	
CC1(F)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2241481909	WSQQEIBPRMLXTA-NTSWFWBYSA-N	201.006	-0.580	50	10	BBGE	
N[C@]1(C(=O)N[C@H]2C[C@H](Cl)C2)CCOC1	2241657969	OIMHGDIARKVHBS-ZXFLCMHBSA-N	218.684	-0.010	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1ccoc1B(O)O	2243349525	MSSWTWMPYHKDRH-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)o1	2243361476	BVLCCAGDXRGDFP-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCOCC1	2243390906	CWMVVOWZIHTWQT-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
C#C[C@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243395930	FAJTYJVDSLSWLR-RTBKNWGFSA-N	221.065	-0.233	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]1CF	2243400154	WPJYDBAETBUZNY-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
O=C(N[C@@]12COC[C@H]1C2)C1CC(B(O)O)C1	2243403880	FIEMRYXLIDKUQS-PYCDLLGUSA-N	225.053	-0.856	50	10	BBGE	
C=C(CS(=O)(=O)N(OC)C1CCC1)B(O)O	2243412708	RPDRCVRFHAIBCS-UHFFFAOYSA-N	249.097	-0.700	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@@H]2C[C@H]21	2243414815	IPXBFMVNJUTVIX-IYSWYEEDSA-N	238.077	-0.943	50	10	BBGE	
C[C@H]1NCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415861	DIRQYKVZSCCBQM-LURQLKTLSA-N	226.085	-0.894	50	10	BBGE	
CC1([C@H](CO)NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243420254	PKRMYBZJQBDPNU-FXQIFTODSA-N	227.069	-0.874	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243427124	QTBLCPXLTWRZOQ-OORONAJNSA-N	227.069	-0.874	50	10	BBGE	
Cc1nnccc1CN1CC(=O)OC(=O)C1	2245393694	MNNXFYNHWDVSFC-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)C[C@H]2CCCC[C@@H]21	2246603752	TUPWHVJBFKARIN-HLTSFMKQSA-N	241.291	-0.872	50	10	BBGE	
COC[C@@H](OC[C@]12C[C@](C)(CO1)C2)C(=O)NN	2247362070	HELXZRQBTCSSLI-IEBDPFPHSA-N	244.291	-0.423	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1coc(B(O)O)c1	2247724549	ZOQSKNPFWSDBLM-LDYMZIIASA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)C1(B(O)O)CCC1	2247732287	FAVJPXGVVFWGJF-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1CO	2247732541	HECKPPFAHLZVRH-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)c1cnn[nH]1	2247735254	XYKXWDDLMPTIHK-ZCFIWIBFSA-N	238.056	-0.621	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1ccc(B(O)O)o1	2247738751	VFBNBTJUTFIQKA-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2C[C@H]2C1	2247742625	RMJLWADCWHFSMF-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)C1(B(O)O)CC1	2247755325	PIJDOXADURCBAV-KZVJFYERSA-N	239.080	-0.731	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1occc1B(O)O	2247757662	RJZRIHBEORATBE-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)cn1C(C)C	2247758528	LRIHPWZGMAJDGO-UHFFFAOYSA-N	236.080	-0.335	50	10	BBGE	
O=C(N[C@@H]1CC12CCNCC2)[C@@H]1C[C@@H]1B(O)O	2247798678	WFJHEGFOXGWNIQ-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1CNCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247804077	FDGDHRULOLANTF-SEZDTBSWSA-N	240.112	-0.646	50	10	BBGE	
N[C@@]12CC[C@@H](CN(C(=O)[C@H]3C[C@H]3B(O)O)C1)C2	2247807633	IQMNFTPDXDHUGX-PKIKSRDPSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H](CC1CNC1)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810109	UVZGVQZUXYPWBT-HGNGGELXSA-N	240.112	-0.646	50	10	BBGE	
CC(C)[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247841047	DNKPOVRVQABGLI-NXEZZACHSA-N	239.080	-0.726	50	10	BBGE	
CCc1c(NC(=O)[C@@H]2C[C@H]2B(O)O)cnn1C	2247858280	CHTOQLFNWVBPFN-RNFRBKRXSA-N	237.068	-0.216	50	10	BBGE	
O=C(NCC[C@H]1CCCCN1)C1(B(O)O)CC1	2247873958	ICEANQKKUAFFOP-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CN(C)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2247877613	CDRVSEZNZDLYBT-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
C=CCC[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247878258	IRSNJBXLMMBAHK-VIFPVBQESA-N	241.096	-0.173	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247891844	OUBCZINMOXGPKD-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1CO	2247896420	GQYROEDDTIZUGC-IMSYWVGJSA-N	241.096	-0.674	50	10	BBGE	
Cc1nc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c(C)o1	2247899080	KFMBRPDKEBERLS-SFYZADRCSA-N	238.052	-0.229	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCNCC1	2247900705	ZAKHPALFYQOHDB-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)C1CC(B(O)O)C1	2247906033	WTPWSFXTMNAMRE-PABXRSPXSA-N	239.080	-0.752	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2247908997	CYAGMYBYEUJIHY-ZOZBQHSOSA-N	239.080	-0.610	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC(C)(C)[C@H]1CO	2247967833	MRSDIZYLOOFMNJ-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
CC#CC(=O)Nc1cc(B(O)O)ccc1OC	2248434407	XQEOAKWBMGAWBS-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C[C@H](CO)C(=O)Nc1cccc(B(O)O)c1F	2248440593	ILUSUYLJELWNSE-ZCFIWIBFSA-N	241.027	-0.928	50	10	BBGE	
C[C@H](CCCC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248574878	VQJMTTXAKQSUCC-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
NCCCC1(Oc2cc(B(O)O)ccn2)CC1	2249261254	YWQLIHQAYKNIRW-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
COC[C@@](C)(CN1CCC(B(O)O)CC1)OC	2249356207	LBXOMWPFYPJRBP-LLVKDONJSA-N	245.128	-0.023	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CCC(B(O)O)CC1	2249379461	WNORVSAZWMPPMQ-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CCCN(C(=O)c1cocc1B(O)O)C1CC1	2249416288	PIEHWFBUVYGWRI-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)co1	2249419237	FAGXEDHRTMCRAL-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
COc1ccc(B(O)O)c(N2[C@H]3CCC[C@H]2C3)n1	2254708259	FGEFXFORMGHAHO-IUCAKERBSA-N	248.091	-0.099	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ncc(B(O)O)cn2)C1	2255470617	HHJNKEHSNDITSP-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)cn1CC	2255499014	YFINCPWWNHZRCA-SNVBAGLBSA-N	248.091	-0.671	50	10	BBGE	
C#CCCCNC(=O)c1cccc(F)c1B(O)O	2255499520	BJAQYTMTUGPWCU-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]21	2255680154	KVCLBFBOQINHRR-RKDXNWHRSA-N	248.091	-0.578	50	10	BBGE	
CN(C)c1ncccc1NC(=O)[C@H]1C[C@H]1B(O)O	2255767233	BZLXKGJQVBOMLP-JGVFFNPUSA-N	249.079	-0.051	50	10	BBGE	
CCN(C(=O)c1nccc(C)c1B(O)O)C1CC1	2255786228	QGMWCCPWDRSARD-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC[C@H]2C[C@@H]21	2255890800	BIYGPNSFAPRQCO-KWQFWETISA-N	246.075	-0.008	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1nccnc1B(O)O	2256068544	BZEPNQAUURTPDE-SFYZADRCSA-N	249.079	-0.925	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1coc(B(O)O)c1	2257045736	FKRMDBDEXUSZLH-APPZFPTMSA-N	249.075	-0.170	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2[C@@H](C1=O)C2(F)F	2298376800	PEEDJWNELPTAEQ-KCDKBNATSA-N	244.990	-0.901	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1	2303106588	TXWRNNCUVSJSMK-MRVPVSSYSA-N	237.068	-0.004	50	10	BBGE	
CN1CCC[C@H](CN2CC[C@@H](B(O)O)C2)C1=O	2303107098	WKWDCMKCJIFURJ-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)n1	2309543765	DLWYEMVYPCAYDD-KBIXCLLPSA-N	245.091	-0.691	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2c1ncccc1B(O)O	2310063618	XFZOAWZAZYYXFF-IEBDPFPHSA-N	248.091	-0.625	50	10	BBGE	
CN(C)CCN(C)c1ccc(B(O)O)cc1C#N	2317163801	RXEHQHNCYOYNLT-UHFFFAOYSA-N	247.107	-0.764	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CC[C@H]2NC3)c1	2325308695	QKDGGQUNGAFQQS-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
O=[N+]([O-])c1cnn(C[C@@H](O)CCl)n1	34301641	QRNKYLUYQJXLBY-BYPYZUCNSA-N	206.589	-0.214	50	10	BBGE	
CN(CCC#N)C[C@H]1CC[C@H](C(=O)NN)O1	82466439	NGDHTRBVFBTFOE-RKDXNWHRSA-N	226.280	-0.631	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN1CCCC1	82469064	UHDQBKDSSDTWJS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)C(=O)C1(C)C	94866982	AJFINQJTPWWGOD-MRVPVSSYSA-N	242.323	-0.693	50	10	BBGE	
CC(=O)NNC(=O)CSc1ncc[nH]1	96551045	FZHSVLHUCJOBBO-UHFFFAOYSA-N	214.250	-0.331	50	10	BBGE	
C[C@H](O)CCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	135782354	ZTXHYNKGJNGPQU-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
CCOC(=O)CCS(=O)(=O)N=C=O	157711855	VFLPPDZGAQAKHK-UHFFFAOYSA-N	207.207	-0.395	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@H]1CO	159086637	SQLZTUVRBKQWIY-HTQZYQBOSA-N	204.657	-0.190	50	10	BBGE	
C[C@H](NC(=O)NN)C(=O)N1CCCC1	162840981	RWUSLLFGABJFQE-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
CCOCCOCc1cccc(B(O)O)c1	203178250	POEXUYILKUGCBP-UHFFFAOYSA-N	224.065	-0.081	50	10	BBGE	
C[C@@H](CN1CCO[C@@H]2CCC[C@@H]21)C(=O)NN	223102530	NIVGKAREABITNN-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cccc(O[C@@H]2CCCOC2)c1	224914378	UCDRMFYQMSPTAA-LLVKDONJSA-N	222.049	-0.076	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(C)C	232419115	UWEJHZJZVYLJHU-MRVPVSSYSA-N	203.286	-0.421	50	10	BBGE	
COC(=O)[C@@H](Cl)CNS(=O)(=O)C1CC1	234565873	BVNHYENQSLCRRC-LURJTMIESA-N	241.696	-0.151	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc(F)c(F)c1	259034136	RUAZGIMDXGFSLA-ZETCQYMHSA-N	201.176	-0.046	50	10	BBGE	
CC(=O)c1ccc(N)c(OCC(=O)NN)c1	261080675	ZRSXCTSXIOVYQU-UHFFFAOYSA-N	223.232	-0.160	50	10	BBGE	
C[C@H](SCC(N)=O)[C@H](C)C(=O)NN	300803634	JMRHIRXSPXOWRP-WHFBIAKZSA-N	205.283	-0.781	50	10	BBGE	
O=S1(=O)CCN1C[C@H](O)CBr	306650660	FLPGKOBKIWJRFL-RXMQYKEDSA-N	244.110	-0.612	50	10	BBGE	
O=C1O[C@@H]2[C@H](Cl)[C@H]3O[C@@H]2[C@@H]1[C@H]3C(=O)O	306772429	SIIMPOCAYCQRBK-XJQRDMAOSA-N	218.592	-0.383	50	10	BBGE	
C[C@@]1(CN)CCN(CCC(=O)NN)C1	308480418	MGZNIXXJRQIYDT-VIFPVBQESA-N	200.286	-0.963	50	10	BBGE	
C[C@H](CN1CCC[C@@H](O)CC1)C(=O)NN	378810210	ZULNSUBHFMOTHJ-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H](CO)N(C)C[C@@H](C)C(=O)NN	379003797	CHIUJGAAMBMEOL-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
CO[C@]1(C)CCN(Cc2cccc(B(O)O)c2)C1	381307798	CESKJQRGEXGYBP-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1CN(Cc2ccc(C(=O)NN)o2)C[C@H]1O	388911493	UKOSJVWBCVRUPZ-IONNQARKSA-N	239.275	-0.304	50	10	BBGE	
COCCN(CCO)[C@H](C(=O)NN)C(C)(C)C	395608082	HBSPKVVAEFCWBN-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
CCC(=O)c1cc([N+](=O)[O-])ccc1B(O)O	396050722	LLXGWRAYPQKLJE-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
CCC[S@](=O)Nc1cc(B(O)O)ccn1	404821598	NZWWNZRBEOPYJN-HNNXBMFYSA-N	228.082	-0.753	50	10	BBGE	
OB(O)c1ccccc1O[C@@H]1CCCO1	686729707	YROOTPWGHYYBRJ-SNVBAGLBSA-N	208.022	-0.118	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)CC[C@H]1C	688752807	FPCNEXLIGKYKTR-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnc(C)n1C	689550566	AQTFHJYBKXKZSX-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
OB(O)c1ccc2c(c1)CC1(C2)OCCO1	689957398	COFSZGBBNKHRIJ-UHFFFAOYSA-N	220.033	-0.792	50	10	BBGE	
CN1C[C@H](NC(=O)OCCl)C(=O)N1	692881545	APJQEKSQUJQHMC-BYPYZUCNSA-N	207.617	-0.746	50	10	BBGE	
C[C@@H](CN1CCO[C@H](CCF)C1)C(=O)NN	700559103	CARDEXMEFIWVPW-DTWKUNHWSA-N	233.287	-0.327	50	10	BBGE	
C[C@@H]([C@@H]1CCCCO1)N(C)CC(=O)NN	706011194	SYDNTDNZERBGKC-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@H](C)C(C)C	706504714	SZLDPORNTPARJR-SSDOTTSWSA-N	201.270	-0.131	50	10	BBGE	
O=C(C1CC1)N1Cc2cccc(B(O)O)c2C1	713231508	GNIGDBPVRJVDHH-UHFFFAOYSA-N	231.060	-0.381	50	10	BBGE	
COC[C@](C)(CCl)NCc1nnnn1C	716931972	YRFMUDQWRFEFCR-QMMMGPOBSA-N	233.703	-0.056	50	10	BBGE	
CC(=O)NNC(=O)CN1C2CCC1(CO)CC2	723001547	YMOBIFVWDQNINN-UHFFFAOYSA-N	241.291	-0.857	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccoc1	747184685	MLSYGLKDZWMDDD-LURJTMIESA-N	239.231	-0.435	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)C(C)(C)O)n1	792478328	ITSBDFCSJBLIOH-UHFFFAOYSA-N	238.247	-0.683	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2nonc2N)CC1	821981040	QLWHGSZHCNGJCS-UHFFFAOYSA-N	237.219	-0.858	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1C[C@@H](C)CO1	895512222	JIKKXKKTMRYZOL-RITPCOANSA-N	202.210	-0.201	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1n[nH]cc1F	1136448478	GIQMQCWPYDSXSB-UHFFFAOYSA-N	215.188	-0.535	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1cccnn1	1137759801	KTDFQMWHELUOCQ-VIFPVBQESA-N	208.221	-0.143	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cn(CC)nn1	1142507216	QETVHNAQPAHIQB-UHFFFAOYSA-N	240.267	-0.348	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCc2nc[nH]c2C1	1327745190	IESRDOLGISRIQR-ZETCQYMHSA-N	222.248	-0.318	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCOC[C@@H]1C	1343782966	LMFXXSHZQFUYKB-POYBYMJQSA-N	200.238	-0.174	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1ncon1	1538716275	CCLFAGCNRSSFJO-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cccnn2)n1	1598371246	BKRKXTOKZWCTQK-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
COc1nsc(OC)c1C(=O)NNC(C)=O	1624651608	HVVRJWGVCWPWLX-UHFFFAOYSA-N	245.260	-0.059	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2cccnn2)CO1	1632515973	ZGSGKYTUNYLYDQ-RXMQYKEDSA-N	223.192	-0.972	50	10	BBGE	
COC(=O)N(C)NC(=O)CCc1cnn(C)n1	1635127726	JJYHBVJZHBKOOK-UHFFFAOYSA-N	241.251	-0.523	50	10	BBGE	
COCC(=O)NNC(=O)COc1ccccc1	1865761622	YCZXHPNCCVXIEC-UHFFFAOYSA-N	238.243	-0.141	50	10	BBGE	
CC[S@](=O)N[C@H]1CCC=C1B(O)O	1883501548	JXMWAZSIWCDZFK-CPFSXVBKSA-N	203.072	-0.640	50	10	BBGE	
O=C1CO[C@H]2CCN(CCCl)C[C@@H]2N1	1886617527	ZNLNWULIMATTMP-YUMQZZPRSA-N	218.684	-0.186	50	10	BBGE	
O=C(F)N1CC(=O)N2CCOC[C@@H]2C1	1887187078	WSVKGTUMYNXUIM-LURJTMIESA-N	202.185	-0.381	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(CC(=O)NN)C1	1888274902	OZLAUEXMYLKFSI-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@H]2Cl)nc1CO	1893099409	OUESWJBQWVMFCQ-NTSWFWBYSA-N	216.672	-0.232	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](CO)[C@@H](O)C1	1893453687	PQVZOOFRTZCBTR-YWIQKCBGSA-N	219.668	-0.575	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H](F)C1	1893694780	YGUKHNJTDLQDQT-LJGSYFOKSA-N	201.006	-0.581	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2[C@@H](C)C(=O)NN	1896280072	PIUZDZMGRAPNKC-GUBZILKMSA-N	226.324	-0.468	50	10	BBGE	
NNC(=O)CN1CC[C@@H](O)C[C@H]1C(F)(F)F	1899998024	JOVBJJFNYFKXMY-RITPCOANSA-N	241.213	-0.636	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1NC[C@H]1C	1901377104	KFYNAYVWHQYJCA-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
C[C@H]1CNCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901377504	PCTFQOIBANGJJC-YUMQZZPRSA-N	249.336	-0.845	50	10	BBGE	
C[C@@H](N)CCOc1cc(B(O)O)c(F)cn1	1903025369	UZPVSKYCRPCLCE-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
C[C@@H](CCN)Oc1cc(B(O)O)c(F)cn1	1903026587	YWKBUTJDGQKDSH-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCNC1	1904618320	VRZASZVIMIIODX-KTOWXAHTSA-N	226.085	-0.892	50	10	BBGE	
CO[C@@H]1COCCN([C@@H](C)CC(=O)NN)C1	1904642801	NZPCTPFHRJPTPF-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(F)(CO)CC1	1905605708	SNFFCVFDQFHOKU-DTWKUNHWSA-N	245.298	-0.591	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1(CO)CC1	1915530966	HDODZHPCOIAIAW-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
OCCN(C[C@@H](O)CCl)C1COC1	1915687990	FRFQCDUOCCHACS-QMMMGPOBSA-N	209.673	-0.721	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)CC(=O)O)CC1	1917045031	OXSUHIZKJSHCDD-QMMMGPOBSA-N	223.232	-0.529	50	10	BBGE	
Cn1ncnc1C=NNC(=O)C(F)(F)F	1923406494	JLUMWCLSSQAQKY-UHFFFAOYSA-N	221.142	-0.173	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CC[C@H]21	1924385553	MJNLEMSGIWRHCL-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1935286565	OCYDZBJRAFMGCU-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(CO)C1	1935358683	MWPHYAYIWFBBQA-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
Cc1ccn(CC(F)(F)C(=O)NN)c(=O)n1	1935940421	CSAGFDBRJAKLRB-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@]1(C)C1CC1	1936114309	WUWPBASMFHSCTD-LDYMZIIASA-N	227.308	-0.134	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)Cn2cnnc2)C1	1937194487	RHOXTQFVMSHURQ-HTQZYQBOSA-N	243.698	-0.684	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CC1	1938230790	MWSBFZHINRDKGQ-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](OC[C@H]1COCCCO1)C(=O)NN	1939103334	XKKVDZTUHLMGRC-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CN(Cc1ccncn1)C[C@@H]1C[C@H]1C(=O)NN	1941081851	CYARCSDPQOZAPN-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
C[C@]1(CO)CCCCN1CCOCC(=O)NN	1941782829	XZWJFMMPPOVLQL-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
O=C(CCC(F)F)Nc1cc(B(O)O)ccn1	1942300981	WGAZASCOPZYGLK-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCCCO1)C(=O)NN	1947249425	QYDDZNKZHDHQKW-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
O=C(N[C@H]1C[C@H]1CCl)C1CS(=O)(=O)C1	1955099220	CMSIXZWWQDERNG-FSPLSTOPSA-N	237.708	-0.226	50	10	BBGE	
CN(C)NC(=O)[C@@]1(C)CC(F)(F)CN1	1955147739	OWSNMVPYUXHHAW-SSDOTTSWSA-N	207.224	-0.034	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCn1cnnn1	1955567585	DEUKPJVUEQIMOQ-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NNCCO)O1	1955617257	LXTWLORSOLGZJA-HTQZYQBOSA-N	202.254	-0.443	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1957069605	KVEBFNQWUAURIZ-JXOAFFINSA-N	219.668	-0.432	50	10	BBGE	
NNC(=O)CN1CC[C@@](F)(C(F)(F)F)C1	1958316669	RFUTYHXOZXEEBF-LURJTMIESA-N	229.177	-0.047	50	10	BBGE	
C[C@H]1CCC2(CC2)N(C(=O)C(=O)NN)C1	1961067813	KWRPJNIAWTZQDV-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1975355233	JBBMJNYDRRIZDZ-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H]1CCCN1CCn1cc(B(O)O)cn1	1977062702	QHZMYNIZJAIYCV-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1978185466	TWXFRNBOQFQVJW-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CON(C1CCOCC1)[C@H](C)CC(=O)NN	1978745367	CRYWWRNTOQXCDR-MRVPVSSYSA-N	231.296	-0.203	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(OC)[C@@H]1CCOC1	1978748722	AXDKBIYYSFHOMA-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
CNC(=O)N[C@@H]1CCCN(C[C@H](O)CCl)C1	1978819395	BGDOWYLKTDPIIG-RKDXNWHRSA-N	249.742	-0.021	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1[C@H](C)O	1990041898	XWQMCHLZQYOCJA-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
C=CC1(O)CN(CCCCCC(=O)NN)C1	1990555683	OBIVOBRJZNMNHN-UHFFFAOYSA-N	227.308	-0.231	50	10	BBGE	
CN(CCC(=O)NN)Cc1nc(C2CC2)no1	1997739269	VYQPRAJMSWWKCS-UHFFFAOYSA-N	239.279	-0.241	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](OCCO)C1	2001032687	ZKKHLTCVEVDHRE-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](COC)N(C)[C@@H](COC)C(=O)NN	2001424119	APIJGKNGCAJZQL-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1ncc(B(O)O)cn1	2004912087	OIYBGRFRYIIZGP-QMMMGPOBSA-N	233.080	-0.607	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CCCCC1	2004912334	RKENRJHVSNTXNC-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
CC[C@H](COC)Oc1cc(C)c(B(O)O)cn1	2004936236	WTOXYUIWSIADQD-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Oc1ccc(B(O)O)cn1	2004950266	CXXWGBNTDUATCP-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CC(=O)N(C)C1	2014824264	LRUIZMIVAQODLM-YIZRAAEISA-N	242.323	-0.837	50	10	BBGE	
O=C(NCC#CB(O)O)c1ncoc1C1CC1	2021107470	SLTSGZGETKQFGH-UHFFFAOYSA-N	234.020	-0.703	50	10	BBGE	
CCN(CC)C1CN(c2ccncc2B(O)O)C1	2052493940	GIGPQEXEZKJFQR-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CN(Cc1ccncc1)c1ccncc1B(O)O	2052498504	FELVTRBEMCYBNQ-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCO[C@@H]3C2)ccc1B(O)O	2052620218	QEDHUNIOXGGXRJ-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1nc(N2CCN(C)[C@H](C)C2)ccc1B(O)O	2052624733	HXLGUQCDMWCYGH-SECBINFHSA-N	249.123	-0.790	50	10	BBGE	
O=C(NC1CCOCC1)c1ccccc1B(O)O	2079010876	VKZPALVRRNCGEU-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
OB(O)c1ccccc1COCc1ccncn1	2080330384	RZFBLWDQNCSLRQ-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@@H]1CCNC1	2210076760	RXSZGZYEKSRUKJ-BWZBUEFSSA-N	215.322	-0.293	50	10	BBGE	
C[C@]1(CO)C=CCN1CCCCC(=O)NN	2211782017	LEKMCKVGJIJXEM-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
C=CCOC(=O)NCc1ccc(B(O)O)s1	2212134215	SFJARZVRYLTAEE-UHFFFAOYSA-N	241.077	-0.160	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN=c1ccc(B(O)O)c[nH]1	2212605395	CVQAEKCDHDAYDQ-BDAKNGLRSA-N	220.081	-0.359	50	10	BBGE	
Cc1cnc(N[C@@H]2CCSC2)cc1B(O)O	2212606695	YIVQPIFLLDGEBW-MRVPVSSYSA-N	238.121	-0.013	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213879512	GCXSWIKOEOOEJV-UTLUCORTSA-N	247.314	-0.204	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@H]1CC[C@@H]1C(=O)NN	2215773754	BYBNXZGMFCWZFJ-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CCCNCCCOc1ncccc1B(O)O	2217172312	JIGCTSCPDVZUQF-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
COC[C@H]1C=CCN1c1cc(B(O)O)ccn1	2217172817	MWKKXYMFVLLROJ-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CCN1CC[C@@H]1CNc1cc(B(O)O)ccn1	2217173052	OLCODBDYUSJRAS-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
C[C@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)CN1	2217179160	HFLBKRPHDIXZRA-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1NCC[C@@H]1COc1ccc(B(O)O)cn1	2217188516	PDXDOYQSJIKRFI-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(N2CCC(CF)CC2)c1	2217196628	TZKRNYIBWJUAKL-UHFFFAOYSA-N	238.071	-0.053	50	10	BBGE	
N[C@H]1CCCCN(c2cc(B(O)O)ccn2)C1	2217200142	QYPDWWAKHDRKLA-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1C[C@H]2CC[C@H]1O2	2220795850	OIFHSKKHFDKECH-OUAUKWLOSA-N	248.091	-0.483	50	10	BBGE	
Cn1cncc1CCNc1cc(B(O)O)ccn1	2223643212	SRIOGDKVUCTWLT-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
Cc1cnc(NCc2[nH]cnc2C)cc1B(O)O	2223649568	AYFSQMFZPHHDFD-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN3CCC[C@@H]23)c1	2223669282	ICCIKTHLWYFOLA-QWRGUYRKSA-N	247.107	-0.590	50	10	BBGE	
NCC[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2223673648	GWXWYOCZDXUQLM-ZJUUUORDSA-N	249.123	-0.309	50	10	BBGE	
CN(C)C(=O)c1cc(B(O)O)c(Cl)s1	2241481694	XNPOVBUMFPMQNK-UHFFFAOYSA-N	233.485	-0.217	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2242756970	HHSMHYQHTSQIJP-KZVJFYERSA-N	249.694	-0.399	50	10	BBGE	
CC(C)(C)OCCCNC(=O)C#CB(O)O	2243350192	XIARGCUVZFOXON-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C#CB(O)O	2243356386	GYPAOMLEFWHOMC-UTLUCORTSA-N	223.081	-0.057	50	10	BBGE	
Cc1c(NC(=O)C2(B(O)O)CC2)cnn1C	2243358021	ATUVSFXKKIAUCG-UHFFFAOYSA-N	223.041	-0.326	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1csnn1	2243363484	HOLVOYGDWLYGFC-YFKPBYRVSA-N	241.081	-0.278	50	10	BBGE	
Cc1cn(C)c(NC(=O)C2(B(O)O)CC2)n1	2243365084	HUJNJXJIHPHQAR-UHFFFAOYSA-N	223.041	-0.326	50	10	BBGE	
CC[C@@H](O)CCCNC(=O)C1(B(O)O)CC1	2243365998	VYSXCSCZLGIBFY-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390896	CTQRVANPSQFHAB-LJGSYFOKSA-N	223.041	-0.668	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(F)F	2243391266	IJIJZNGJSLMYMP-VQVTYTSYSA-N	233.023	-0.037	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243396201	IZOWCUMYWGBBKJ-BGZDPUMWSA-N	226.085	-0.813	50	10	BBGE	
CC(C)(NC(=O)C1(B(O)O)CCC1)C(=O)O	2243751808	BKKRPFGICLALRE-UHFFFAOYSA-N	229.041	-0.637	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)on1	2244547479	AVUCHNUXYXWVOY-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
CCCCOCC(=O)NCCC#CB(O)O	2244555149	JXUQKOBMQMFIRD-UHFFFAOYSA-N	227.069	-0.675	50	10	BBGE	
COC[C@@H](OCC12CC(CO1)C2)C(=O)NN	2245194569	UYCGWACBIJWODU-CCNFQMFXSA-N	230.264	-0.813	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C1(F)CC1	2247732502	GPIQQYBUZODYIT-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
CC[C@H]1CCOC[C@H]1N(C)C(=O)C#CB(O)O	2247747536	OYIGDQRIUNAYJW-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
CON(C(=O)C1(B(O)O)CCC1)[C@@H]1CCOC1	2247753816	ACEXWTFOBVZTMI-MRVPVSSYSA-N	243.068	-0.438	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@H]1CO	2247758294	UTYISMXOEJMUJA-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1n[nH]cc1B(O)O	2247785639	OISVNHQCSPYDTE-UHFFFAOYSA-N	237.068	-0.826	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785871	ROXYAXPFEUUOFP-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247797519	KKIZUBNACROJSD-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2247798515	UYOFAGLATLOSGR-HACHORDNSA-N	241.096	-0.077	50	10	BBGE	
C#CCO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247799011	ZAEMUPGVWMFYET-IVZWLZJFSA-N	237.064	-0.900	50	10	BBGE	
CC[C@H](C)N1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247803329	AOBVCACPHLZJMS-HGNGGELXSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2CCC[C@H]2C1=O	2247806185	MRKALPWWGDESSX-HXFLIBJXSA-N	237.064	-0.366	50	10	BBGE	
C#CCC1CN(C(=O)c2ccsc2B(O)O)C1	2247867518	HENRDMJDWQZOSB-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
CC(C)c1cc(=NC(=O)C2(B(O)O)CC2)[nH][nH]1	2247878380	JLGZRFPBHTVDRJ-UHFFFAOYSA-N	237.068	-0.100	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895373	RKYRSSFWXUSCHI-XKNYDFJKSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(F)C(=O)Nc1ncc(B(O)O)cc1F	2248400858	BQQZMAPCVMUAQF-UHFFFAOYSA-N	244.006	-0.413	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C(=O)O	2248584702	ALYMVWUPNTUFDF-FSDSQADBSA-N	241.052	-0.829	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248587742	UFDXGAHGHJYGTC-BQBZGAKWSA-N	241.052	-0.828	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1ncncc1B(O)O	2248687452	DBSLAJSPIBFDFN-YUMQZZPRSA-N	233.080	-0.609	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1cc(B(O)O)co1	2249419863	MLTRRBLXKZACSK-APPZFPTMSA-N	237.064	-0.170	50	10	BBGE	
CN(CCNC(=O)C#CB(O)O)c1ccccc1	2255469453	PJARVGXGQUTKGF-UHFFFAOYSA-N	246.075	-0.746	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@@H](C)C#N	2255513666	VQBUTPAEOHLINT-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)cn1	2255517529	CVIRUFUSNSQTBA-DIYOJNKTSA-N	246.075	-0.710	50	10	BBGE	
Cc1cnc(C(=O)NC[C@@H]2C[C@@H]2C)c(B(O)O)c1	2255557092	ZKTPYWFFJBUYNM-IUCAKERBSA-N	248.091	-0.544	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255716898	VJDVFCHYVMXICE-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
N=c1ccc(NC(=O)c2ccoc2B(O)O)c[nH]1	2255718459	ZSANQGBBRFXILG-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1n[nH]cc1B(O)O	2255765315	OEHZCGMKPYBRCJ-WRWORJQWSA-N	249.079	-0.991	50	10	BBGE	
O=C(NC[C@H]1C=CCCC1)c1c[nH]nc1B(O)O	2255789905	OTDYUYSXQFRGDQ-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
Cc1ncncc1CNC(=O)C1CC(B(O)O)C1	2255802108	UPTBVDKUYBXNIF-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1cc(B(O)O)co1	2258129438	WSSXQTDFUXBZDN-SNVBAGLBSA-N	249.075	-0.263	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)O	2298371917	ZJOXOZJFRSKKOE-YSSBGUOXSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376527	ADOOKQVCVRSIQJ-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CO1)[C@@H]1C[C@H]1B(O)O	2298377234	JIUMRFUOPDTEOX-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC[C@@H](F)C1	2300042705	SLPWPWIWGIOZRI-KXUCPTDWSA-N	245.298	-0.327	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	2303097233	AHDWVJJKARWHOQ-NXEZZACHSA-N	242.128	-0.304	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)N2CC[C@H](B(O)O)C2)C1	2303108817	KXXBQKFMJOQCKD-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
N#CC1(O)CCN([C@](CN)(CF)C(=O)O)CC1	2305444670	ZLVDYRHOSWHXLQ-JTQLQIEISA-N	245.254	-0.912	50	10	BBGE	
CC1(C)[C@@H](N)CCN1C(=O)C1CC(B(O)O)C1	2307311226	DVNILTOLIGLQRO-HACHORDNSA-N	240.112	-0.422	50	10	BBGE	
CN(Cc1cn2ccccc2n1)C(=O)C(=O)NN	2315730363	OBIDADUSGUOVED-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
C#CCN(CC#C)c1ccc(C=O)c(B(O)O)c1	2317312758	MGWNBCJWNUIXQS-UHFFFAOYSA-N	241.055	-0.748	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC(=O)NC1CC1	36782746	CHOPPHIIZNHROK-YFKPBYRVSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H]2CCCC[C@@H]21	43428924	KNWHDHAQOJVWBZ-YUMQZZPRSA-N	227.264	-0.854	50	10	BBGE	
CN(C)C(=O)[C@H](Br)C(=O)O	44224391	HYBJQWCIZYIIGW-VKHMYHEASA-N	210.027	-0.077	50	10	BBGE	
CCOC(=O)CN1CCN[C@@H](Cl)C1=O	54967617	ZBLLBWVWBSIPIG-SSDOTTSWSA-N	220.656	-0.454	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1COc2ccccc2C1	70488713	XMTZJCJVYXSGCN-MRVPVSSYSA-N	235.243	-0.063	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CCO1	82466177	OSTFMUIVVSLMGH-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCOCC1	82469346	IYLYKZWWRDXOHS-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CC(=O)NN)n1cnc([N+](=O)[O-])c1	82471302	AQTHKQNFNQUATO-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
COC(=O)CS[C@@H](C(=O)NN)C(C)C	82472447	BHNHVQVKLNGKEQ-SSDOTTSWSA-N	220.294	-0.093	50	10	BBGE	
NCCCCNS(=O)(=O)CCl	82513053	RAYDEQDJOGVOIL-UHFFFAOYSA-N	200.691	-0.159	50	10	BBGE	
COC[C@H](Cl)CNS(=O)(=O)N(C)C	83212672	PCYKZGOBUMYVPW-ZCFIWIBFSA-N	230.717	-0.364	50	10	BBGE	
CCCN(CC(=O)NC)CC(C)(C)C(=O)NN	93728045	ZKIKXNBUYVETFB-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
COC(=O)N1CC[C@@H]2C(=O)OC(=O)[C@H]2C1	107248055	LRMPCGWUPKXAAG-WDSKDSINSA-N	213.189	-0.226	50	10	BBGE	
O=C1CC[C@@H](n2cnnc2CCl)C(=O)N1	149972707	DYOVVKIIFQUVDD-RXMQYKEDSA-N	228.639	-0.005	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	158904122	QUUGFZZBXLQCNE-QYNIQEEDSA-N	214.221	-0.059	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2sccc2[nH]1	192378537	DFZKQWOUOASBTL-UHFFFAOYSA-N	239.256	-0.017	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@H]1CCOC1	211144938	LUFXKQUTPITSHE-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
[C-]#[N+]CC(=O)N1CCN(S(C)(=O)=O)CC1	216718535	MGKLUNVMPZQLGY-UHFFFAOYSA-N	231.277	-0.991	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@](C)(O)C1	232744967	CBCNRHIRJQHAMC-WCBMZHEXSA-N	215.297	-0.542	50	10	BBGE	
CC(C)(/C=C/C#N)[C@H](O)C[C@@H](O)C(N)=O	238088383	STLIVLFQHMYSKM-ATXJSMISSA-N	212.249	-0.310	50	10	BBGE	
COC(=O)[C@@H](N)[C@@H](O)CSSC	238370183	ZQIACFZFORMSMF-WHFBIAKZSA-N	211.308	-0.141	50	10	BBGE	
O=Cc1nc(Br)ccc1B(O)O	238620107	NRKNVVHPRXRBSE-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251556439	PHHATSFRLVCSQH-CSMHCCOUSA-N	213.281	-0.648	50	10	BBGE	
CN1CCC(COCC(=O)N(C)N)CC1	259000022	MSJWCLZMXWVWJZ-UHFFFAOYSA-N	215.297	-0.323	50	10	BBGE	
NNC(=O)c1occc1Cn1ccncc1=O	306078764	BLQFKJXLDVANOS-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H](C)C#N	307740467	HOSDKILCOTZOBK-YFKPBYRVSA-N	200.267	-0.339	50	10	BBGE	
CNC(=S)NNC(=O)COC(C)C	308366645	OGWCQQKCZSRBCN-UHFFFAOYSA-N	205.283	-0.464	50	10	BBGE	
CO[C@]1(C)CCN(Cc2ccc(B(O)O)cc2)C1	381312637	DHTXEUYLJRERIT-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cnc(C2CCNCC2)cc1F	385809308	KTHXFPMFYVLNIK-UHFFFAOYSA-N	224.044	-0.633	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1cnn(C)n1	386890300	XRMDMIGHFSICAG-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CC(=O)NNC(=O)CNC(C1CC1)C1CC1	390153470	VKZHDEFWTFPDNF-UHFFFAOYSA-N	225.292	-0.068	50	10	BBGE	
Cc1nc(CCNS(=O)(=O)CCl)n[nH]1	392301948	ARGZWFOAOLJDGD-UHFFFAOYSA-N	238.700	-0.229	50	10	BBGE	
CC[C@@H](C)N(CCO)CCC(=O)NN	393684372	SBVGIPHTRKOANK-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](O)[C@@H]1C	395109883	SFCVNBWBTTTYEK-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
CSSCCNCC(=O)NC(N)=O	397949506	YSYBRBPCTMHPLR-UHFFFAOYSA-N	223.323	-0.218	50	10	BBGE	
CCOC1(C)CN(CCC(=O)NN)C1	399924150	MERMIXNRMJNNGW-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)[C@@H](C)CO1	404016722	DLSTVLUPNLYRTA-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cccnc1	404988357	RBIFCZQLLAOTJF-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(C#Cc1ccccc1)NCB(O)O	575471884	SWQBPMIHSKGDIJ-UHFFFAOYSA-N	203.006	-0.834	50	10	BBGE	
Cc1c(CN2CC[C@H](B(O)O)C2)cnn1C	585075939	KLGWQRIDPWSFGI-JTQLQIEISA-N	223.085	-0.223	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2COC[C@@H]21	690713859	FYNWPDOPYCZLLS-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1	694230124	SQTXKKNCYJCIHX-BBBLOLIVSA-N	220.081	-0.001	50	10	BBGE	
OB(O)c1ccn(Cc2cc(F)cc(F)c2)n1	694272485	ULVQRKDPONWMOL-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
N#Cc1ccc(Cn2ccc(B(O)O)n2)cc1F	694275447	IEOQECUWPNJADS-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](CO)C1	700399228	QYLPYOMQNZNSQR-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
O=C(NCB(O)O)c1cc([N+](=O)[O-])cs1	702017772	PDTFGTCFSMQYNS-UHFFFAOYSA-N	230.010	-0.602	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](N2CCC2)C1	702241012	VMKSPUBRUXVTBT-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CCNC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703470354	SQAFQKBGFHSILV-BQBZGAKWSA-N	226.232	-0.961	50	10	BBGE	
CN(N)C(=O)Cn1c(=O)oc2ccccc21	704675659	APUYDBITMXTCNN-UHFFFAOYSA-N	221.216	-0.073	50	10	BBGE	
CNCCN(C)Cc1cnc(C(=O)NN)s1	711157568	KNCAJZDAGQHPRX-UHFFFAOYSA-N	243.336	-0.602	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1(S(N)(=O)=O)CC1	714032889	DKSRLYCHBYHBCU-RXMQYKEDSA-N	240.712	-0.449	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1	716572862	IQPYTWZVKHQAFJ-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@]1(C)CO	723001388	XJXKRUQEXORTDH-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2)C1	897345342	HUKYIIMEHWQYHO-BDAKNGLRSA-N	248.286	-0.152	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1153166766	FSSBQWPNXWUSQW-MPJRPATESA-N	238.247	-0.584	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)Nn2cnnc2)cn1	1446850124	SNCOTNOZKULHQT-MBXJOHMKSA-N	243.230	-0.311	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	1627565348	HUANTATYXZYOKW-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N2CC(CO)C2)cn1	1637212052	FOEDUZGSPYZHBF-BIIKFXOESA-N	246.270	-0.222	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1cccnn1	1686916689	RDCJZZUAEMHJTB-ZETCQYMHSA-N	233.231	-0.558	50	10	BBGE	
CCCCC(=O)NNC(=O)Cc1nnn(C)n1	1860396593	VIXYGONHAVBVHQ-UHFFFAOYSA-N	240.267	-0.910	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)NC(=O)CCl	1882821845	CGKXNPMVNUYEOK-CRCLSJGQSA-N	206.629	-0.162	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@H]1C[C@@H]1Br	1883537920	NNEJPYWMDIKZRL-WDSKDSINSA-N	249.108	-0.780	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNCCO)CCO1	1886003998	YNVHHPJTXIKZOE-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)NNCCO	1886985603	BHYHAJMSWGPITG-SSDOTTSWSA-N	202.254	-0.728	50	10	BBGE	
C#CCc1cc(CS)cc(B(O)O)c1	1887520505	XLLMTFVFFCHVNQ-UHFFFAOYSA-N	206.075	-0.028	50	10	BBGE	
CCN(CC)C(=O)NN(C)S(C)(=O)=O	1888571722	LUHGDYSUHXISPP-UHFFFAOYSA-N	223.298	-0.156	50	10	BBGE	
C[C@H](CCCC(=O)NN)OC1COC1	1889170564	QQDMOWLUNNBMQV-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](OC[C@@H]1CSCCO1)C(=O)NN	1891537189	HSDXCCYBJOCQJT-NKWVEPMBSA-N	220.294	-0.487	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CNCCO1	1893107870	OXFCHJDUHANNQA-FXQIFTODSA-N	218.684	-0.282	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCCC[C@H]1O	1895121076	DRENLEFHODYGMB-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2COC[C@H]21	1897312628	ZDGZCXZQNUQEJE-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1C[C@@H]1COc1ncc(F)cc1B(O)O	1897617354	XDCOCNHMMSPLBO-RNFRBKRXSA-N	225.028	-0.065	50	10	BBGE	
CS[C@H](C)C(=O)Nc1cccc(B(O)O)n1	1899679102	DHZVIERPQKPYEA-ZCFIWIBFSA-N	240.093	-0.549	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)C1(B(O)O)CCC1	1902005536	ICRJKMSHMJSJOO-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
OB(O)c1csc(COC[C@H]2CCOC2)n1	1902658035	HLTJJRLTQPBSSJ-ZETCQYMHSA-N	243.093	-0.624	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@H](C)[C@H](C)C(=O)NN)C1	1906685969	YVWQBOYOSYHNJO-QCLAVDOMSA-N	245.323	-0.918	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1[C@H]2CCC[C@H]12	1913677551	UTVOFMMYZFINLG-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2[C@@H]3NCCO[C@@H]32)CC1	1917111911	HSGKGNWCBYWWHV-OUAUKWLOSA-N	233.271	-0.345	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCC[C@@H]1O	1923209217	PIHGWWGLLJUULS-UHNVWZDZSA-N	240.181	-0.143	50	10	BBGE	
CN(NC(=O)OC(C)(C)C)C(=O)COCCO	1923388528	HCSJRQYCADAVCZ-UHFFFAOYSA-N	248.279	-0.107	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cc[nH]n1	1923408158	WAXJEABOEFBTDM-UHFFFAOYSA-N	222.126	-0.267	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)C(F)(F)F	1923435103	HGEMCMBWKKRBTQ-SCSAIBSYSA-N	228.170	-0.285	50	10	BBGE	
Cn1cc(Cl)cc1C(=O)NNCCO	1929835224	OUEBKZPLJBSVFU-UHFFFAOYSA-N	217.656	-0.095	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cncn1C	1930246500	DEYIWECNQOWQBE-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
CCN(CCN(C)C)C[C@@H]1C[C@@H]1C(=O)NN	1936082979	HDIQNZUXNFPLPC-UWVGGRQHSA-N	228.340	-0.504	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	1936094216	LJWSEWFZUDGWHG-CIUDSAMLSA-N	227.308	-0.685	50	10	BBGE	
CCS[C@H]1CCN(CCOCC(=O)NN)C1	1936529736	NQANTGPWSXOGHS-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
NNC(=O)COCCN1C(=O)CCSC1=O	1936530856	RDPBXNUOCQHMLU-UHFFFAOYSA-N	247.276	-0.922	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1938245966	CHLJJWOPDCVURI-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
Cc1ncc(O[C@@H]2CCCCO2)cc1B(O)O	1944011225	NNNGJQIMTBVWPZ-LLVKDONJSA-N	237.064	-0.025	50	10	BBGE	
CC(C)n1nccc1CN(C)C(=O)C(=O)NN	1945489931	UGUHANLZIJVKLS-UHFFFAOYSA-N	239.279	-0.588	50	10	BBGE	
CN(C[C@H]1CCC[C@H]1O)CC1(C(=O)NN)CC1	1945882664	LLGWWJSWOUIMFV-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@]1(O)CCCN([C@H](C)CC(=O)NN)C1	1946459421	FUSULFWVLBNERY-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
COC[C@@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	1946461170	WBJUDQUBNNXAOQ-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
CN(N)C(=O)C1(S(C)(=O)=O)CCC1	1953820442	DHRNFQOKYDXOCP-UHFFFAOYSA-N	206.267	-0.714	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CCC(=O)NN	1955062098	FAWPZXBPZDNHOQ-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
O=C(CCCl)NC1CN(C2COC2)C1	1956848864	MRKUGWPFXVLTEX-UHFFFAOYSA-N	218.684	-0.186	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(B(O)O)cn1	1958187929	VKCBJUCUJKZYAR-HNNXBMFYSA-N	228.082	-0.755	50	10	BBGE	
CC1CC(CO)(N(C)[C@@H](C)C(=O)NN)C1	1960063239	OUHCZWNGOXIJSK-ZCUBBSJVSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@](F)(C(F)(F)F)C1	1976182708	FIHRTJDVNDWKOQ-ZCFIWIBFSA-N	243.160	-0.521	50	10	BBGE	
CC(C)(ON)C(=O)N1CCC(O)(C#N)CC1	1976456367	QKGMHYOHKQOAOJ-UHFFFAOYSA-N	227.264	-0.468	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1ncon1	1976756231	ROICIHWBLLHTFQ-ZETCQYMHSA-N	227.268	-0.340	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)N[C@H](CB(O)O)C(=O)O	1976978595	ASVKSWFJVHDPAP-HCVRKRLWSA-N	229.041	-0.925	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1COCCC1(F)F	1980167176	OCDQNDPOVWOICH-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
CN(Cc1nn(C)cc1C(=O)NN)C1CC1	1980591848	CYLGIDRKZJQUFR-UHFFFAOYSA-N	223.280	-0.382	50	10	BBGE	
CC(C)[C@@H]1CCN1c1ccc(B(O)O)cn1	1981413299	FASGUZCYAHDFJD-JTQLQIEISA-N	220.081	-0.004	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2OC(=O)N[C@@H]2C1	1983454237	ZLGCPWZHPJPBRL-UHNVWZDZSA-N	247.638	-0.746	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	1987531297	QQPJHXQIRDLGFA-QEYWKRMJSA-N	224.308	-0.999	50	10	BBGE	
CCON(CC)c1ncc(F)cc1B(O)O	1987999991	MLAGVYNERXMMPB-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
CCS[C@H]1CCN(CC(=O)NNC(C)=O)C1	1990774912	OXMHKIPEUKBTKX-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CC(F)F)C1COC1	1991227206	FSZSGQGVRHYJLQ-LURJTMIESA-N	237.250	-0.279	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(=O)N[C@H]2CC[C@H]21	1991713130	PCWRGLJJHFUGAN-HKFDCFJWSA-N	242.662	-0.203	50	10	BBGE	
COCC(COC)CN(C)[C@H](C)C(=O)NN	1992712887	IRBLGDGUJGIEFP-MRVPVSSYSA-N	233.312	-0.794	50	10	BBGE	
Cc1ncc(B(O)O)c(OCP(C)(C)=O)n1	1994804979	RLSSUDCUDYHUPL-UHFFFAOYSA-N	243.996	-0.576	50	10	BBGE	
Cc1nnc2ccc(C(=O)NNCCO)cn12	1997418472	RPTKWWATUJVLPG-UHFFFAOYSA-N	235.247	-0.736	50	10	BBGE	
NNC(=O)CN1CC[C@H](CN2CCCCC2)C1	2003907934	YUZABPPIDCZWIQ-LLVKDONJSA-N	240.351	-0.216	50	10	BBGE	
C[C@@H]1OCCN(c2ccc(B(O)O)cn2)[C@H]1C	2004911632	JGLMFSGVVUJVSG-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
CC(C)[C@H]1CCN(c2ncc(B(O)O)cn2)C1	2004912488	UJPNEOKNMHDEPK-VIFPVBQESA-N	235.096	-0.361	50	10	BBGE	
C[C@H]1CC[C@H](N(C)c2ncc(B(O)O)cn2)C1	2004919501	ZRFSGFRPAPVRQL-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)CC(F)(F)C(=O)NN	2007573945	NXVWHKIDGFNFPF-XLPZGREQSA-N	249.261	-0.422	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)ccc2=O)O1	2008840216	IZUMLUIIBIMCFY-WPRPVWTQSA-N	237.064	-0.904	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]23C[C@@H](CO)C3)CC1	2011132394	QPJVHYYOOASDIU-OTCDBFHCSA-N	239.319	-0.397	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	2015195963	ZIUMTGCRKJXBSI-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020067299	GAHYXGWYBJMDFW-QXFUBDJGSA-N	239.080	-0.372	50	10	BBGE	
CCn1ncc(COc2cccc(B(O)O)c2)n1	2052322592	ICYYWEAQICHMJR-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@]3(CCCO3)C2)nc1	2052473254	VFUJKENCUMLTHU-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
COc1nc(N2CC3CC(C3)C2)ncc1B(O)O	2052621206	CYPJWDIWKDAISW-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2052621343	GCGKRHQZQGSAIU-HKWIRBFKSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3C[C@H]3C2)n1	2052623789	MVCAVOHQIGINLW-UWVGGRQHSA-N	247.107	-0.381	50	10	BBGE	
COc1c(B(O)O)ccc(C#N)c1C=O	2060188191	CSXPIYHBCXILGJ-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@@H](O)C2)CCC1	2212249580	UMSRGEBONKVZEG-SECBINFHSA-N	225.292	-0.621	50	10	BBGE	
CC(C)[C@H](CN)Nc1ccc(B(O)O)cn1	2212600351	CCMVDMHDCDPTPA-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
C#CC[C@H](CC)Nc1ncc(B(O)O)cn1	2212602614	HEPLRGYDWAKQDF-VIFPVBQESA-N	219.053	-0.630	50	10	BBGE	
C#C[C@H](CCC)Nc1cc(B(O)O)ccn1	2212602901	AHVXUBMTXXHVHE-SNVBAGLBSA-N	218.065	-0.025	50	10	BBGE	
NNC(=O)CCCCn1cncc(F)c1=O	2212634343	KGIKZNFAZPPBGH-UHFFFAOYSA-N	228.227	-0.457	50	10	BBGE	
C[C@@H](CN1C[C@@H](N(C)C)C2(CC2)C1)C(=O)NN	2215133319	MAYLJEMISMYRGX-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](O)C[C@H](F)C1	2215775502	HHRBCOZPMQIUST-XFWSIPNHSA-N	245.298	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(N2CCC2)C1	2215777404	SKWPNLVZGIIPEY-MWLCHTKSSA-N	238.335	-0.608	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Nc1cc(B(O)O)ccn1	2217172227	IKVTWHXHZZBMCS-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
C[C@H]1[C@H](CNc2ncc(B(O)O)cn2)C1(F)F	2217174981	BIHGNCOJIAVFEG-FSPLSTOPSA-N	243.022	-0.531	50	10	BBGE	
C[C@]1(O)CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217183028	INHDUKRFDYQLEP-ONGXEEELSA-N	236.080	-0.523	50	10	BBGE	
CC(C)(Oc1ncccc1B(O)O)[C@H]1CCN1	2217183078	FGEPRPLVIWIHAG-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
CC(C)(C)N(CCO)c1ncccc1B(O)O	2217198931	IFDXZFZUJOOAHO-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2COC[C@@H]21	2217202045	UKDXUUSIYNQQPB-KHQFGBGNSA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)[C@@H](CN)C1	2223679498	QJLUPCJADYUTOL-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CC(C)CONC(=O)C1(B(O)O)CC1	2241472996	BEKJAQXJBWPOKG-UHFFFAOYSA-N	201.031	-0.303	50	10	BBGE	
Cn1c(=O)c(F)c(O)n(C[C@H](Cl)C#N)c1=O	2243057959	DQQNCYGSJSZKCY-SCSAIBSYSA-N	247.613	-0.477	50	10	BBGE	
C[S@](=O)CCCNC(=O)C1(B(O)O)CCC1	2243348138	UMLANVPSMKRKNZ-INIZCTEOSA-N	247.125	-0.732	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2243349522	MREBRJAOQIYGCN-ZCFIWIBFSA-N	221.021	-0.981	50	10	BBGE	
O=C(NC1CC(CCO)C1)C1(B(O)O)CC1	2243363114	BFTNTCQKWWUVHC-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C#CB(O)O)C1	2243398242	CEULCUGTAOGEDU-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
CCSC1CCN(C(=O)C#CB(O)O)CC1	2243399705	PEFPSYSFSZJPPR-UHFFFAOYSA-N	241.121	-0.254	50	10	BBGE	
CS[C@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2243400139	WMXLKRVCORTIQH-IUCAKERBSA-N	241.121	-0.208	50	10	BBGE	
NCC1CC(NC(=O)C2(B(O)O)CCC2)C1	2243411352	RUYIBHKEJCDFJC-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1C(=O)C1(B(O)O)CCC1	2243411622	XNCPPOGRHNSQSW-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
COC(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414621	FEQLRRZYHUODJQ-OCAPTIKFSA-N	229.085	-0.219	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2243416154	HWJQYTOCVOKUEL-RTBKNWGFSA-N	221.065	-0.136	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOCC[C@H]1N=C=O	2243976859	LUEHEGFHLYEYQH-QMMMGPOBSA-N	249.292	-0.823	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2244533506	WNCCMVVGEIFNTI-UTLUCORTSA-N	221.065	-0.136	50	10	BBGE	
COc1ccc(F)c(NC(=O)C#CB(O)O)c1	2247743827	KBCCPEPUSQPTGA-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
CCC[C@]1(NC(=O)C#CB(O)O)CCCNC1	2247747809	SLZZYZCHIIFYJZ-NSHDSACASA-N	238.096	-0.960	50	10	BBGE	
CC1(C)CCO[C@H]1CNC(=O)C1(B(O)O)CC1	2247759291	ZSNVKAQRMIKGAL-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2247776162	VBPXPJYFHAOORE-SFYZADRCSA-N	234.064	-0.853	50	10	BBGE	
CC[C@H](C)CN(C)C(=O)c1c[nH]nc1B(O)O	2247781552	MCWZBMANPQCOQE-ZETCQYMHSA-N	239.084	-0.792	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785026	FAEVPPISCLDWCX-AOOOYVTPSA-N	233.076	-0.229	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791057	KYFVULYPMVLLGJ-YNFQOJQRSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCN2CCC1CC2	2247803471	BJFAPDOXRTTWSA-UWVGGRQHSA-N	238.096	-0.844	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C	2247808014	JQYRJMCKWFJHJC-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cc1F	2247868564	VUUTXEOYKNCEHS-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
O=C(Nc1cccnc1)c1ncsc1B(O)O	2247870900	RUSZPTWXNNZCHB-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)c(C)c1	2247874639	NYCUDGHJCGBSDH-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)C2(B(O)O)CCC2)C1	2247878051	HDSHHIWRYIHNLB-JTQLQIEISA-N	240.112	-0.277	50	10	BBGE	
CC1(CN)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247886891	HNRHQTVIZWJHTR-IUCAKERBSA-N	240.112	-0.563	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncc[nH]1	2247887352	NCCHKMGNYQANTB-FXQIFTODSA-N	237.068	-0.160	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1O)C1CC(B(O)O)C1	2247893082	MALJOPLIJQBCBX-AUXWQGHOSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CN(C)[C@@H]1COC2(COC2)C1)C(=O)NN	2249637628	VIQYEKQSGRCYPK-BDAKNGLRSA-N	243.307	-0.898	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1coc(B(O)O)c1	2255732277	SFGOCHVOJDJJLD-SCZZXKLOSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nn1cccc1)c1cc(B(O)O)ccc1O	2256018365	YVXGUFANEJRUKD-UHFFFAOYSA-N	246.031	-0.743	50	10	BBGE	
Cc1cccc(O)c1C(=O)NCCC#CB(O)O	2258956510	FSCOBDHUWPXILX-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CO[C@H]1C[C@H](OC[C@H](C)C(=O)NN)C[C@H]1OC	2301615111	VTCOUUAXZWAGAA-AATLWQCWSA-N	246.307	-0.179	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C23CC(CO2)C3)C1	2303111807	NBTTUVJBQFDDNL-JZQLECPJSA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1[C@H](O)CCN1c1ccc(B(O)O)cc1C#N	2317151580	SFYMDMYXPWMRJI-QPUJVOFHSA-N	246.075	-0.802	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@@H]1N	2317167514	IHKGXNPUGWLNHC-KWQFWETISA-N	245.091	-0.979	50	10	BBGE	
CCN(CC)CCNC(=O)CCC(=O)NN	58862856	UVNKNDKVFQLZSA-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
O=C(O)/C=C/C(=O)OC(=O)/C=C/C(=O)O	60105410	PQTMBYUVHBQQJH-ZPUQHVIOSA-N	214.129	-0.662	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]2CCCC[C@H]21	82470617	UIUQWDVYDWVASF-RKDXNWHRSA-N	213.281	-0.380	50	10	BBGE	
CC(C)n1c(N)nnc1S[C@@H](C)C(=O)NN	82472624	ABZXOSLHMHGPBV-YFKPBYRVSA-N	244.324	-0.088	50	10	BBGE	
CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NN	86190437	QBDXTYHLBOPKAE-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
O=C(c1cn[nH]n1)N1CCO[C@H](CCl)C1	88096185	UXQQGTLPDYROBH-ZCFIWIBFSA-N	230.655	-0.116	50	10	BBGE	
CCCC(=O)NN/C(N)=C\C(=O)OCC	138625207	JTWBRAJVZTXDIB-SREVYHEPSA-N	215.253	-0.230	50	10	BBGE	
CC(C)(N)C(=O)NNC(=O)c1cccnc1	149010344	FRMFSTDGPDXEEM-UHFFFAOYSA-N	222.248	-0.420	50	10	BBGE	
O=C(O)C[C@H](CO)CNC(=O)C(Cl)Cl	170310543	AYQKBQRGUNEXLH-BYPYZUCNSA-N	244.074	-0.011	50	10	BBGE	
CCOCC(=O)NC[C@@H](Cl)C(=O)OC	233980911	FADNCGRKFDXVFM-ZCFIWIBFSA-N	223.656	-0.081	50	10	BBGE	
CCOC(=O)c1cc(Cl)ncc1B(O)O	238257049	YALXLVZRVDWLEG-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCCN1CC(=O)NN	304475927	BDGCLSMFSJEVAC-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N=C=O	307058189	LWSYIJOZZUBNBD-SFYZADRCSA-N	218.278	-0.008	50	10	BBGE	
CN(O)S(=O)(=O)CBr	307383556	DWMOFERLQKRAFV-UHFFFAOYSA-N	204.045	-0.010	50	10	BBGE	
NNC(=O)c1csc(CSCCO)n1	393249009	WRQAIYLCBQGUQS-UHFFFAOYSA-N	233.318	-0.028	50	10	BBGE	
O=[N+]([O-])c1nc2ccc(B(O)O)cc2o1	396095143	KPQWWAHMBCCBLP-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
CCCS(=O)(=O)Nc1ccc(B(O)O)cc1	404918694	RSHAWTDLAGOEOM-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H]2C[C@@H]2C1	404970296	OKFZIXVLHKOBHA-AYMMMOKOSA-N	246.075	-0.254	50	10	BBGE	
CCOC(=O)N(C)Cc1ccccc1B(O)O	405080660	LNQUFSOZUZNKJI-UHFFFAOYSA-N	237.064	-0.045	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]2C1	688274803	VRPOGZUHGMNOPQ-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
OB(O)c1cnn(CCC[C@H]2CCCO2)c1	694538011	ZDLREYAIBSPMMN-JTQLQIEISA-N	224.069	-0.478	50	10	BBGE	
Cn1nnc(C(=O)N2CCOC[C@H](Cl)C2)n1	697207349	IFEUFOLVMLOOKM-ZCFIWIBFSA-N	245.670	-0.710	50	10	BBGE	
COCC[C@H](CCl)NCc1nnnn1C	697710466	FJCXWMWWMIHMCS-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
CC(C)[C@H]1C[C@@H](N(C)CC(=O)NN)CO1	700922364	PGOUHTSIVNEUDH-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CCOC[C@@H]1O	706727872	WJIYBRYHSKOSOH-RQJHMYQMSA-N	243.712	-0.706	50	10	BBGE	
CC[S@](=O)N1Cc2ccc(B(O)O)cc2C1	707891576	GTPHGYAZDBFSPY-INIZCTEOSA-N	239.105	-0.634	50	10	BBGE	
NNC(=O)N1CCS[C@H](CCO)C1	720066966	GFBRBYDVGXZIBW-ZCFIWIBFSA-N	205.283	-0.631	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1C1CCCC1	846636184	DCWLKAVQMMOAPQ-DTWKUNHWSA-N	226.276	-0.048	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC(=O)NC	1136154776	NPAWDJOSGMDQCT-VOTSOKGWSA-N	211.221	-0.707	50	10	BBGE	
COC(=O)N(C)NC(=O)Cn1ccnc1C	1140406335	QEVPKBZIMBCGSQ-UHFFFAOYSA-N	226.236	-0.079	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)C2CC2)nn1	1623970684	VBEXMJIKEWQJGA-UHFFFAOYSA-N	220.232	-0.044	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)c1cc[nH]n1	1629180189	LNPKBRFYDQJVDL-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
Cn1nncc1NNC(=O)CCCCC(N)=O	1638740337	FWXOMKZLKFKTLE-UHFFFAOYSA-N	240.267	-0.696	50	10	BBGE	
CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880023967	ORCGMPYIFRCDBT-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
CN(C[C@@H]1C[C@H]1Cl)[C@@H]1CC(=O)NC1=O	1893119543	OZUZVDDPOUYBGE-RRKCRQDMSA-N	216.668	-0.039	50	10	BBGE	
NC(=O)CCCNC(=O)C=CC(=O)Cl	1893410480	KCWSPFYJAHNBEE-UHFFFAOYSA-N	218.640	-0.310	50	10	BBGE	
O=C(O)COCCNC(=O)[C@@H]1C[C@H]1Cl	1893475387	SSUXHKMQYBYECX-PHDIDXHHSA-N	221.640	-0.169	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)C[C@H]1CO	1897984697	CIDASGUMFIXZNS-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CS(=O)(=O)CCCCN1CC[C@H](B(O)O)C1	1902529408	YGBVZOHBSMYNSN-VIFPVBQESA-N	249.141	-0.640	50	10	BBGE	
N#CC1CN(C(=O)N2CC[C@@H](B(O)O)C2)C1	1902548553	NWYHLNAGYSKGJM-MRVPVSSYSA-N	223.041	-0.890	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)CN(C)C	1904707750	MMMDAVRAVFUUJE-UTLUCORTSA-N	230.356	-0.117	50	10	BBGE	
CCCOCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1906422003	IHAJJZTVHMNTGH-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
COCC1CC(O[C@@H](C)C(=O)NN)C1	1906955409	GFVHYKTZSGQBFO-KKMMWDRVSA-N	202.254	-0.194	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCCC[C@H]2F)nc1	1910209600	IXXPVDUCTGSKGZ-RKDXNWHRSA-N	240.043	-0.184	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1ncccc1B(O)O	1913642208	SNGDKSJBTQSSTJ-UHFFFAOYSA-N	246.075	-0.251	50	10	BBGE	
CCCN(CCC(=O)NN)S(=O)(=O)C1CC1	1913802091	QBIAPQWXTDYCSC-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
CC[S@](C)(=O)=NCc1ccc(B(O)O)cc1	1913884650	SLBLMVDRSTUFIK-INIZCTEOSA-N	241.121	-0.016	50	10	BBGE	
Cn1cc(OC[C@H]2C[C@@H]2C(=O)NN)cn1	1927918156	POKACCQJBSDCAZ-SVRRBLITSA-N	210.237	-0.575	50	10	BBGE	
CC1(C)C(C)(C)C1(C)NC(=O)C(=O)NN	1927959738	DVSUNHUDWLYYRB-UHFFFAOYSA-N	213.281	-0.083	50	10	BBGE	
NC(=O)NNC(=O)C[C@H]1CCCOCC1	1928157763	VNJJUOVOPXCDBL-ZETCQYMHSA-N	215.253	-0.107	50	10	BBGE	
C#CCOC1CN(C(=O)NC(=O)CCl)C1	1929067621	RBBHGTZSVIPDLD-UHFFFAOYSA-N	230.651	-0.205	50	10	BBGE	
O=S1(=O)CC[C@@H](CN2CC[C@H]2CCl)N1	1929727926	UXXIMKRHCCJSRA-YUMQZZPRSA-N	238.740	-0.009	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)[C@@H](C)C(=O)NN	1929907290	DEDVVZLQGMQXBH-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(CC(F)F)C1	1932115880	MZRDTXHFPQKUQF-YFKPBYRVSA-N	207.224	-0.048	50	10	BBGE	
Cn1[nH]cnc1=NC[C@H]1COC[C@H]1Cl	1933393996	BWQMABSPBIVMQQ-NKWVEPMBSA-N	216.672	-0.097	50	10	BBGE	
C[C@H]1CN(C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089907	XDPOTCWQCNTJQN-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSCC(=O)NC1CC1	1936090107	HIDAIZKJDCNPMX-POYBYMJQSA-N	243.332	-0.376	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](OC)C1	1937153330	JJOGXKUOCCHHIJ-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CSC1CN(Cc2nc(C(=O)NN)co2)C1	1939042736	QSLSCSVPCPHGAP-UHFFFAOYSA-N	242.304	-0.175	50	10	BBGE	
CC(C)[C@@H](OC[C@@H]1COCCO1)C(=O)NN	1939102819	VFHHOSAXXAKXPD-DTWKUNHWSA-N	232.280	-0.567	50	10	BBGE	
NNC(=O)CCCCOCCO[C@H]1CCOC1	1940246293	PVRRKIIHZMSIEH-JTQLQIEISA-N	246.307	-0.031	50	10	BBGE	
CCCn1cc(OCCOCC(=O)NN)cn1	1941772282	HEPINFNDLMBBLG-UHFFFAOYSA-N	242.279	-0.322	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@@H]1CCl	1954198661	ZRVJUXPCMKNTSA-RITPCOANSA-N	201.661	-0.081	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@H](O)[C@H](C)O	1954240577	VQCCCSLKRHKVFK-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
C[C@@H](CC(=O)NN)N=[S@](C)(=O)N(C)C	1956457130	AUMANOSOIKADQQ-MDAAJZPYSA-N	222.314	-0.671	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H](O)C1	1961139745	ZUQTYYBSXJAMHC-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@H]32)nc1	1961678075	KVQXGWPXTRMSNH-IONNQARKSA-N	204.038	-0.640	50	10	BBGE	
CC(=CCl)Cn1cccc(B(O)O)c1=O	1975101947	ZFDMYJHUXYHYEG-UHFFFAOYSA-N	227.456	-0.329	50	10	BBGE	
O=C1NC(=O)[C@@H]2CCN(C(=O)OCCl)C[C@@H]12	1976104168	MSJYKQFRHNXTQC-PHDIDXHHSA-N	246.650	-0.086	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2SC(=O)C=C2C1	1981027798	HWVXVIHSDDQWTO-MRVPVSSYSA-N	241.316	-0.360	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCOC1	1981429100	AMSGTHCSLIFWCC-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
C[C@@H](CN1CC(CCN(C)C)C1)C(=O)NN	1983327427	MIQZMYOROIZKMX-VIFPVBQESA-N	228.340	-0.504	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CO[C@H]2C[C@@H]1C2)C(=O)NN	1986053042	ITBGLQWFXJDHQO-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CCOC1CC(n2cccn2)C1	1986221350	NFRXSBWLAZTTLG-UHFFFAOYSA-N	224.264	-0.017	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC[C@H]2O)CC1	1987463557	CPDRTOQQAXHZTP-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2[C@H]3CNC[C@H]32)CC1	1988076628	MXNPDWJGJXRVMW-JGPRNRPPSA-N	221.304	-0.198	50	10	BBGE	
CCCSC1CN(CC(=O)NNC(C)=O)C1	1990776153	GPGMFERBHHNKGJ-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
Cn1cc(Cl)cc1C(=O)NCC=CB(O)O	1991335306	YMCWSMICVKREGS-UHFFFAOYSA-N	242.471	-0.024	50	10	BBGE	
CN1C[C@H](N(C)C(=O)/C=C/C(=O)Cl)CC1=O	1991715363	TUVYKAYUYXLNIJ-KGGZQZJCSA-N	244.678	-0.003	50	10	BBGE	
CC1CC(CC(=O)N[C@H](CB(O)O)C(=O)O)C1	1998137561	MSCVFUOCQBXQJP-KAVNDROISA-N	243.068	-0.535	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@H](COC)C(=O)NN	2000010443	GBLHENAWXJTQBG-VHSXEESVSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@H]1CCOCC[C@@H]1NC(=O)C(=O)NN	2001009610	VPQAZEYZSNKNPI-IUCAKERBSA-N	243.307	-0.312	50	10	BBGE	
CNCCN(C)C(=O)N1CCC(O)(C#N)CC1	2001333384	ROGDZLNWYDPJDM-UHFFFAOYSA-N	240.307	-0.392	50	10	BBGE	
CN(C(=O)C(=O)NN)C1[C@H]2CCC[C@H]1COC2	2003300562	MFYOYGQZZVPQRV-YUMQZZPRSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](CN(C)C)C1	2003920824	AYEBFGLREODVCY-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
Cc1nc(N2C[C@H]3CCC[C@H]32)ncc1B(O)O	2004973120	QALIJUKIKFBPKP-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(CCF)C1	2005015072	VQBZNWAYBCHGNO-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
Cc1cc(N2C[C@@H](F)[C@H](C)C2)ncc1B(O)O	2005018478	UPHCNUHRVHPOCY-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	2008030926	KTGPBPXIBIVFEO-HLTSFMKQSA-N	247.314	-0.347	50	10	BBGE	
C[C@H](CC(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	2008280475	HPAIJEOXFYLLQO-SVRRBLITSA-N	243.068	-0.535	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2010994864	KCOJTJSAIVPEIP-JXUBOQSCSA-N	241.335	-0.439	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2016366379	XCIBVNIEFRBJMS-MUGGCFGDSA-N	239.319	-0.423	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOCC1CC1	2019219985	SWCPGNZQFDQRFN-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
O=C1CN(CC23COC(CF)(C2)C3)CC(=O)O1	2023899975	SRJUXNVCOSVNMW-UHFFFAOYSA-N	243.234	-0.110	50	10	BBGE	
Cc1ccc(=O)n(Cc2cc(C(=O)NN)no2)c1	2051647591	SSYVOFGPQKKUHS-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3COC[C@H]3C2)nc1	2052466102	GACAITMLJTXECC-VHSXEESVSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCCC[C@@H]32)nc1	2052469440	QTHRVYKXBSECJK-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
Cc1cc(N2CC[C@H]2CN(C)C)ncc1B(O)O	2052621388	GNXYBYNRWVNTDY-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1cccc(F)c1	2058157405	YADZKVARIBSVBL-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H]2CC[C@H]1O2	2058161075	QPBWZZKONZEFNG-FXPVBKGRSA-N	249.075	-0.904	50	10	BBGE	
CCOc1cc(B(O)O)c(C)cc1C#N	2060203092	UTKIIYXTRASAOW-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
N#Cc1ccc(B(O)O)c(F)c1OC(F)F	2060263177	JFBXWZFOMFDNOG-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071241077	NTXVKKVGXFVPGO-JEUROIALSA-N	245.087	-0.570	50	10	BBGE	
Cc1cn(C)nc1C(=O)N[C@@H]1CCC=C1B(O)O	2076079569	RCIBFFRRTSRSCN-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]12COC[C@H](C1)C2	2211557692	NJPMJHROMPVUQV-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
N#C[C@H](Cl)CN1CC(CN2CCNCC2)C1	2211710397	QYOPSVJJYAIZAK-NSHDSACASA-N	242.754	-0.046	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@H]1CC[C@@H]1C(=O)NN	2211827087	AAKLVBVSDUFUSD-WLOPVIGXSA-N	248.352	-0.423	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1cc(B(O)O)ccn1	2212612244	IUYJJCDVTOBBGX-IONNQARKSA-N	224.044	-0.302	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C=C[C@H]2C3)c1	2212616002	YDMAHMMZAGQZHZ-WPRPVWTQSA-N	216.049	-0.474	50	10	BBGE	
CO[C@]12CC[C@H]1CN(CC(F)(F)C(=O)NN)C2	2216676341	FSLCRTPZGMQJNN-CBAPKCEASA-N	249.261	-0.278	50	10	BBGE	
C[C@](CO)(Nc1cc(B(O)O)ccn1)C1CC1	2217177453	JFUDISIHUIMETF-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
NCC1(F)CC(Nc2ncccc2B(O)O)C1	2217178224	SPIDALAGZZRRGZ-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
CCN(C[C@H](C)N)c1nccc(B(O)O)c1F	2217179730	NSIJIIVSEDDVGT-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
C[C@@H](N(C)c1ncccc1B(O)O)C(C)(C)O	2217198792	GIJKGABMHLAWLU-MRVPVSSYSA-N	238.096	-0.643	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1c1ncccc1B(O)O	2217202731	ZHMWVCHLYZGLJD-RKDXNWHRSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@H]2CC[C@H]1N2	2223625803	KIERDUMYBWSHDO-IQJOONFLSA-N	248.091	-0.719	50	10	BBGE	
C[C@H](SC[C@H]1CCCN1)C(=O)NN	2241292637	MHBAPBLBEKCUBG-NKWVEPMBSA-N	203.311	-0.150	50	10	BBGE	
CC(C)[S@@](=O)N1CCC(B(O)O)CC1	2241741449	NFZZUFKQCRDUQK-CQSZACIVSA-N	219.115	-0.003	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)s1	2243349758	QBFSTXPAMJJSMY-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)C1(B(O)O)CC1	2243358655	IYMVPLULPPVINC-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CCC(CC)NC(=O)c1ccc(B(O)O)o1	2243361456	BMBFEKZWJBGVJZ-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
C[C@H](O)C[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381711	ISUKHMAJCVBWJC-XSPKLOCKSA-N	229.085	-0.485	50	10	BBGE	
Cc1sc(C(=O)NCCF)c(C)c1B(O)O	2243383610	ZWAKYLQFKBTCGM-UHFFFAOYSA-N	245.084	-0.256	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243408964	YIAWITOGDPTTHB-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
C=C(CS(=O)(=O)NC(C)(C)C(C)C)B(O)O	2243420440	SQWRTCHAPKHIDZ-UHFFFAOYSA-N	249.141	-0.091	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2244212195	MNKYOTCOOQEHCZ-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
COc1ccc(B(O)O)c(OCC2(F)CC2)n1	2247233515	QCWZUUXVGMGYRO-UHFFFAOYSA-N	241.027	-0.349	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC1(C)C	2247742463	PBUKRSVNIOEHEW-SECBINFHSA-N	236.080	-0.435	50	10	BBGE	
CN(Cc1ccn(C)n1)C(=O)C1(B(O)O)CC1	2247753595	BBXJKBLAYMMVFP-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
O=C(NCC1CC1)c1cc(F)ccc1B(O)O	2247759494	RKZLUEAPXKPMRZ-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)cn2C)C1	2247763121	JINCQZDLAHVPIN-UHFFFAOYSA-N	236.080	-0.813	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ncccc1B(O)O	2247770914	RZWBXDXRULTSAJ-MRVPVSSYSA-N	234.064	-0.592	50	10	BBGE	
CCCN(O)C(=O)c1ncc(C)cc1B(O)O	2247786318	YXHWJSSIAPXORY-UHFFFAOYSA-N	238.052	-0.689	50	10	BBGE	
CC[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791223	LVVLUWNILUYVGS-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247797319	ILNIEBUJSTXMMX-KYXWUPHJSA-N	241.096	-0.341	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@]12CCNC2	2247799116	ZVGTUQNONJDPJT-YWVKMMECSA-N	238.096	-0.796	50	10	BBGE	
CC(C)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CNC1	2247805125	JNXZKOLTHCJENO-UWVGGRQHSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247805470	KIAOJOCEIQILMF-REIXXSIJSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1ccoc1B(O)O	2247866006	FBAJUACBDQZURY-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC(C)(C)F	2247871292	YYSAHMYDKPPKLG-UHFFFAOYSA-N	243.043	-0.254	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2C[C@H]2C)c1B(O)O	2247874600	NGTBOJSGBIDYPV-PSASIEDQSA-N	233.076	-0.187	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1nccnn1	2247880030	XNSMDOUDLRSLDE-UHFFFAOYSA-N	236.040	-0.769	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCO1	2247893957	AQMCNHCJXAJGTQ-NGZCFLSTSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902751	GZNLZFIBVKDMGD-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
N=c1ccc(NC(=O)C2CC(B(O)O)C2)c[nH]1	2247910807	RKXPFHXRPJLHHL-UHFFFAOYSA-N	235.052	-0.314	50	10	BBGE	
CCCNC(=O)c1cc(F)c(B(O)O)cc1F	2247942710	YYCWVVWESIYWNG-UHFFFAOYSA-N	243.018	-0.216	50	10	BBGE	
O=C(NC1(C(=O)O)CCCC1)[C@@H]1C[C@H]1B(O)O	2248584745	AVQJIUSCECHLOV-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
C=CCC(=O)NCc1ccc(B(O)O)cc1F	2248965116	DQWXBHOZVHRDFS-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
Cc1cnccc1C(=O)NCCC#CB(O)O	2250003359	WYOFHETWDPAUQM-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
CCC(CC)ONC(=O)c1occc1B(O)O	2250124002	LEOULATWAVYANB-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1cc(B(O)O)co1	2250892019	QAKPDWVJHGQFEB-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2255454372	OTPFEHGIFKATCG-KOLCDFICSA-N	248.091	-0.464	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(C)cc1B(O)O	2255513336	OTRJMTZYFARJIM-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccc(B(O)O)cn1	2255519171	UEGLKGXUDBQKSJ-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255550649	YPPLQCPQQZOTOD-ZETCQYMHSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC(CC2CC2)C1	2255676692	VDBJASHUQLIOKR-UHFFFAOYSA-N	248.091	-0.433	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(C)cc1B(O)O	2255692618	BZMBKYYRFDXBIZ-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
Cc1ccnc(C(=O)Nc2cnoc2)c1B(O)O	2255785943	OXVILLLTEDHVNB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1c[nH]nc1B(O)O	2255788188	LDZBBZPRZNXSJP-CPCISQLKSA-N	249.079	-0.991	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)NC1[C@@H]2CC[C@@H]12	2255921170	VLTUBDUCIUGSRW-HTQZYQBOSA-N	246.075	-0.104	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]1CC1CC1	2258127417	IYPJQBWWNFRFGM-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
COc1ccc(C(=O)NCCC#CB(O)O)cn1	2258955781	UFJUBZZYBRPEFT-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
NC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCCC1	2298368492	IGCWJVNMRUCBNK-KXUCPTDWSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CCCO[C@@H]21)C1CC(B(O)O)C1	2298370399	YCDCAKSPPKWBHK-ZTYHWHRISA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)C2(CCC2)C1	2298374917	FZOFAQXZSAWWEA-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1cccnc1C(N)=O	2300924346	RZJZJGDLEQGENC-ZCFIWIBFSA-N	238.247	-0.672	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1cc(B(O)O)ccn1	2312612207	IINZHRPZKMSKQH-UUTMEEIUSA-N	247.107	-0.701	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCCc1ccc(B(O)O)cc1	2319252867	PRYXBCMELBRVMK-LBPRGKRZSA-N	245.087	-0.399	50	10	BBGE	
Cc1nc2c(N)cccc2n1CC(=O)NN	36282054	ALRZOMQUALVGEY-UHFFFAOYSA-N	219.248	-0.083	50	10	BBGE	
NNC(=O)c1c(N)c2ccccc2[nH]c1=O	38276574	VWFQRAKHSJAAIL-UHFFFAOYSA-N	218.216	-0.286	50	10	BBGE	
O=C(CO)NNc1ccc(C(=O)O)cc1	39084133	BQHDLWNJHOZDOH-UHFFFAOYSA-N	210.189	-0.180	50	10	BBGE	
COCCN(C(=O)NN)[C@H](C)COC	42612923	WQGKXYKSJJNQBZ-SSDOTTSWSA-N	205.258	-0.447	50	10	BBGE	
CCCNC(=S)NNC(=O)[C@@H]1CCOC1	66959462	IDYXSWOHVVJMDO-SSDOTTSWSA-N	231.321	-0.072	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CCO1	82466160	AUAXPGSJMHBWGU-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CCC[C@H]1NC(=O)N(CCC(=O)NN)C1=O	82470885	GQRXOJZKHSWULO-ZCFIWIBFSA-N	228.252	-0.913	50	10	BBGE	
CC(C)(CCl)C(=O)NC[C@H](O)CO	85248808	WJYMZKTZMAYDBL-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
C[C@H]1CN2CCC[C@@H]2CN1CCC(=O)NN	86933484	AFVIIWBEISOPIQ-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
CCN(CCC#N)C[C@@H]1CC[C@H](C(=O)NN)O1	110590925	LARMEMQKYCUKOI-VHSXEESVSA-N	240.307	-0.241	50	10	BBGE	
CCN(CC)C(=O)[C@@H](C)NC(=O)NN	162840543	AWWMHFIKCKBQCG-ZCFIWIBFSA-N	202.258	-0.584	50	10	BBGE	
CC[C@@H]1COCCN1Cc1ccc(B(O)O)cc1	199009770	FADJSPXJZGZQLR-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
N[C@]1(C(=O)O)CCCC[C@H](B(O)O)C1	204989379	HWUAOJOFZVUISD-POYBYMJQSA-N	201.031	-0.424	50	10	BBGE	
COC(=O)CN/C=C(/C#N)C(=O)NCC(C)C	216536112	BPIUYJYVAZNUPX-TWGQIWQCSA-N	239.275	-0.071	50	10	BBGE	
NNC(=O)c1nc2ccc(F)cn2c1N	238569699	JBRZCROYXGNGQQ-UHFFFAOYSA-N	209.184	-0.341	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H](C)CO	252804184	CTOYWZSAAGGPON-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@H](C)[C@H]1C	300000144	YRNYLCGGDCLCNR-IWSPIJDZSA-N	247.364	-0.183	50	10	BBGE	
Nc1cc2c(O)ccc(B(O)O)c2s1	307092086	RRXAOTJHFSYGRC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H]1C[C@@H]1CNNC(=O)[C@H]1COCCN1	309489847	ICCGYBQCHYQSGU-IWSPIJDZSA-N	213.281	-0.748	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCCC[C@@H]2O1	379026538	CXAQMTJTQUKUJO-VGMNWLOBSA-N	241.291	-0.560	50	10	BBGE	
CCN(C[C@@H](C)OC)[C@@H](C)C(=O)NN	383037059	IHKPIMDJCZMHIA-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
N[C@](CCCCB(O)O)(C(=O)O)[C@H]1C[C@@H](N)C1	383747916	JJWPNUYEQUHMCS-XKSSXDPKSA-N	244.100	-0.851	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(C2CC2)C1	384009186	VAGMHKZWWABBBP-MRVPVSSYSA-N	213.281	-0.788	50	10	BBGE	
Nc1ccc(B(O)O)c2scc(C=O)c12	396261564	XJOAKOJYBGASDP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Nc1cc(B(O)O)c2sccc2c1C=O	396277074	SBRLWRQNGWTWFG-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1C[C@@H](N(C)Cc2cccc(B(O)O)c2)CO1	401476880	SBPIGHNGFYUTRJ-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1B(O)O	404999477	IYPPMHCYHYJEAR-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
Cc1cn(C[C@@H]2CCO[C@@H]2C(=O)NN)cn1	521401350	XLLVGKNRHMGSNC-IUCAKERBSA-N	224.264	-0.413	50	10	BBGE	
CN(CCC(=O)NN)C[C@H](O)C1CC1	690154166	BILLOZHKIIDTSR-QMMMGPOBSA-N	201.270	-0.931	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CC(C)C1	691957897	WAGNSJAVHFJDSP-UDNWOFFPSA-N	229.324	-0.031	50	10	BBGE	
NS(=O)(=O)CCCCNC(=O)OCCl	692809980	UQISUDNJJWEUMF-UHFFFAOYSA-N	244.700	-0.022	50	10	BBGE	
CC1(C)[C@@H]2[C@@H](CCCN2CC(=O)NN)[C@H]1O	693092166	QQFUWWZJGBXWIQ-FKTZTGRPSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@H](C)O1	694926919	VFTVHSHEYPVTJV-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CC(N)=O)C(C)C	695062818	RPUXUDITYUKSFL-SECBINFHSA-N	244.339	-0.413	50	10	BBGE	
Cc1cn(C[C@H]2CC[C@H](C(=O)NN)O2)c(O)n1	699584955	HRWYSLGHDDMAKJ-HTQZYQBOSA-N	240.263	-0.565	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=O)cn1	700868702	HNWJKRQAVLPJJZ-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
C[C@H]1COC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	703424997	LSFIJYGDEXHYRX-JBDRJPRFSA-N	225.244	-0.062	50	10	BBGE	
CC[C@H](C)[C@H](NC(N)=O)C(=O)N(C)N	704704899	BCCSJWSGWSAFIQ-WDSKDSINSA-N	202.258	-0.599	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)CC(=O)NN)CCO1	705869794	PFBBXWJFAJQULS-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
Cc1nc(COc2cccc(B(O)O)c2)n(C)n1	708592684	WJNIXJOJVXVFLI-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2C[C@H]2C2CC2)n1	714935136	TUMIVZADQNZYEL-ZJUUUORDSA-N	220.081	-0.001	50	10	BBGE	
CCCOCCN1CC(=O)OC(=O)C1	715048047	BDIZDPYUDODVKQ-UHFFFAOYSA-N	201.222	-0.202	50	10	BBGE	
CC#CC[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717770385	PJTYMEIBNCXISS-GUBZILKMSA-N	237.255	-0.323	50	10	BBGE	
NC(=O)NNC(=O)c1cc(Cl)ncn1	723215983	MJFSKXVESAJNSQ-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)[C@H]1COCCO1)C1CC1	747878100	ANWMLZSETZENRM-VXNVDRBHSA-N	242.275	-0.405	50	10	BBGE	
CNC(=O)CC(=O)NNc1ccccn1	773622182	DBBMFGCDBGFLOM-UHFFFAOYSA-N	208.221	-0.339	50	10	BBGE	
CCOCC(=O)NN=Cc1nccnc1OC	792999118	KNPWJBLDNCLQSA-UHFFFAOYSA-N	238.247	-0.028	50	10	BBGE	
CC(=O)NNC(=O)c1cccn(C2CC2)c1=O	864427084	IBFILEXQPUVELA-UHFFFAOYSA-N	235.243	-0.036	50	10	BBGE	
O=C(COC1CC1)NNC(=O)NC1CC1	900383110	AEDXLLOYMAVQJO-UHFFFAOYSA-N	213.237	-0.342	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN(C)C(=O)NCC	907253285	SGFDKYFWUSBDGF-FXXDRWHHSA-N	215.253	-0.384	50	10	BBGE	
C[S@@](=O)CCN1C(=O)C[C@H](Cl)NC1=O	953054886	AYPMBWRCXDMLRB-FPHPLZIGSA-N	238.696	-0.128	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(C)=O	1135818047	JHQWOILFSRFJPV-XPUUQOCRSA-N	245.279	-0.076	50	10	BBGE	
CNC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	1142142620	RIYLOLQOYQAGNI-BWZBUEFSSA-N	227.264	-0.096	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1nsnc1O	1295485977	OPENIBIBORFLII-UHFFFAOYSA-N	245.264	-0.450	50	10	BBGE	
O=C(NC/C=C/Cl)c1cccc(B(O)O)c1	1304682500	IZNNMJSIALXFOT-GORDUTHDSA-N	239.467	-0.151	50	10	BBGE	
C#CC(=O)NNC(=O)Cc1ccncc1	1352028156	CHHKNAQNDVPJDZ-UHFFFAOYSA-N	203.201	-0.595	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)c2nccn2c1	1472537004	QTZMWJHJSHEYGE-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1nc[nH]n1	1558992286	UURVGLLIMJMMEL-LURJTMIESA-N	209.209	-0.714	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc2c[nH]nc2c1	1597342253	UNRUUJZWLFHAIB-UHFFFAOYSA-N	234.219	-0.468	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@@H]1CCC(=O)NC1	1623763438	KMWKUUCEHMWNAC-ZETCQYMHSA-N	243.263	-0.368	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC=CC1	1625906582	FWWJQOTXYGDIRG-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
Cn1cc(C(=O)NNc2nccn(C)c2=O)cn1	1641353400	XLXRKLULUHCSNH-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
CCN(CCO)NC(=O)c1[nH]c(O)nc1C	1643678089	SEEAHKKXHLZEIY-UHFFFAOYSA-N	228.252	-0.617	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N2)nc1	1651593448	NRWIZFLFGMVPLH-ZETCQYMHSA-N	231.215	-0.715	50	10	BBGE	
NC(=O)[C@H](N)C[C@H]1C[C@H]1Br	1880113042	RKOSKHLGUNOZPG-UOWFLXDJSA-N	207.071	-0.028	50	10	BBGE	
CS(=O)(=O)CNC(=O)NCCCl	1881556213	HWDWJPSBFMNBSK-UHFFFAOYSA-N	214.674	-0.474	50	10	BBGE	
C[C@H](CCl)C(=O)NCC(CO)CO	1882210631	UFZNNILCGKATDC-ZCFIWIBFSA-N	209.673	-0.422	50	10	BBGE	
O=C(Cn1ccnn1)NCC#CCCl	1884825584	QEOLBRCAKKCSBG-UHFFFAOYSA-N	212.640	-0.364	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC([C@@H](O)CO)C1	1887182602	UPGXFWZYNUCGGB-PRJMDXOYSA-N	219.668	-0.575	50	10	BBGE	
C[C@H](CS[C@H]1CC[C@H]1N)C(=O)NN	1887479444	SLEFSUSPYVMHCM-QYNIQEEDSA-N	203.311	-0.165	50	10	BBGE	
CNC(=O)NN(C)S(=O)(=O)C1CCC1	1888554664	OHASQDGPUJHELX-UHFFFAOYSA-N	221.282	-0.356	50	10	BBGE	
NCCN(CCO)C(=O)/C=C/C(=O)Cl	1893497932	MVOIDHYUVAPPBN-OWOJBTEDSA-N	220.656	-0.912	50	10	BBGE	
COC1CC(CO)(NS(=O)(=O)CCl)C1	1895847609	IFJWQAKIICWRRM-UHFFFAOYSA-N	243.712	-0.358	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN)C[C@@H]1OC	1897229158	ABVXKWYXVRITLH-BQBZGAKWSA-N	203.242	-0.695	50	10	BBGE	
CCC[C@@H]1CN(CCC(=O)NN)C[C@H]1CO	1897989481	UTHQQQJPOFWNKC-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
N#CCCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1900607663	PCBADTNNVBQIEU-VHSXEESVSA-N	222.292	-0.152	50	10	BBGE	
COCCOCCCO[C@@H](C)CC(=O)NN	1900900533	LXJFNDYWJJBCTD-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCN[C@H]1C	1901343299	BPCAYASTKIUBFU-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](COC[C@@H]1COCCCO1)C(=O)NN	1901434721	AFZPBKCFXXZGAY-IUCAKERBSA-N	232.280	-0.566	50	10	BBGE	
Cc1ncc(C(=O)N2CC[C@H](B(O)O)C2)o1	1902510499	CHNKSDSZAFZEJA-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
CC[C@](C)(CN(C)CCN(C)C)C(=O)NN	1902715450	HISPPFDEDLGLEC-LLVKDONJSA-N	230.356	-0.114	50	10	BBGE	
OB(O)c1cc(N2CC(CF)C2)ncc1F	1903011255	ZALNGSAGOFNCEB-UHFFFAOYSA-N	228.007	-0.694	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H](F)[C@H](F)C1	1907079015	DQUPBTCDSTWTOL-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
O=S1(=NCc2ccc(B(O)O)cc2)CCC1	1913859286	QXAMODDUNXHNPB-UHFFFAOYSA-N	239.105	-0.262	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H](C)CCO	1917043264	OJYPNSIECUPELO-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC12CCC2	1921600952	CHSHWDOKYQHMEW-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(=O)N(C)[C@@H](C)C1	1926003076	CWEMJAWTGSANLM-WPRPVWTQSA-N	242.323	-0.837	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H]1[C@H](O)CO	1928570536	WSPMWCNNAWOCDD-DJLDLDEBSA-N	234.683	-0.829	50	10	BBGE	
NNC(=O)CN1C[C@@]23CC[C@]2(COC3)C1	1928822986	MVROOKNHNGGGCW-NXEZZACHSA-N	211.265	-0.911	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)CC12CC2	1930231882	PJAGOVCXOXAEDI-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC[C@H](F)C1	1932163837	HKJCXDLQRWIKFW-BQBZGAKWSA-N	217.244	-0.379	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)CC(=O)NN	1932222926	YZESTPKWKWRSLT-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(N1CC(O)C1)N1CC[C@H](Cl)C1	1934092301	NLNGJHOWNUBEEY-LURJTMIESA-N	240.712	-0.779	50	10	BBGE	
COC1(CCl)CN(c2nnnn2C)C1	1935349558	GEEYZICURAOFPD-UHFFFAOYSA-N	217.660	-0.346	50	10	BBGE	
CO[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1F	1937152905	HJWSDWOLNJZHPA-JGVFFNPUSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)CCN1CCc2ccncc2C1	1937993102	FLEVICDARALKLE-UHFFFAOYSA-N	220.276	-0.180	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941092108	GIQOMCUYNBLRTE-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C(NNCCO)c1c(F)cccc1[N+](=O)[O-]	1944213283	HTUOJPWIMSNQLE-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
COCC1(N)CC(N2CCC(O)(C#N)CC2)C1	1947390114	REACNFUNVXAUQH-UHFFFAOYSA-N	239.319	-0.157	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@@H](CO)C1	1948811293	GXZFCTXATKSGQO-SNVBAGLBSA-N	245.323	-0.913	50	10	BBGE	
OC[C@@H](Br)CCn1cnnn1	1952139943	KKCPPZZOSAMUQA-YFKPBYRVSA-N	221.058	-0.181	50	10	BBGE	
O=C(CCl)N1C[C@H]2OCC[C@H]2C1=O	1954075873	XADXXVIYUQGNOP-PHDIDXHHSA-N	203.625	-0.001	50	10	BBGE	
OC1CN([C@@H]2CCN(CCCl)C2)C1	1954405662	PQEJHKABQVKMMS-MRVPVSSYSA-N	204.701	-0.024	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1N1CC(=O)OC(=O)C1	1957890645	AVYMZRMONJSNLP-JGVFFNPUSA-N	212.249	-0.536	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@H]2O)[nH]1	1958989176	GVNHPWVDSVXSFS-CRCLSJGQSA-N	229.671	-0.620	50	10	BBGE	
NNC(=O)N1CCC[C@@H]1C(=O)NC1CC1	1961196446	XURHRTHRDXCAFW-SSDOTTSWSA-N	212.253	-0.687	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CC2)C1	1961693772	DKODRNQIIPIMNG-UHFFFAOYSA-N	204.038	-0.638	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CC[C@H]3C2)n1	1961717488	BBTSXFAITPTWIE-KNVOCYPGSA-N	224.094	-0.331	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CN2CC[C@H]1C2)C(=O)NN	1976086667	GLFFAZRBGKIXMK-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
CCN(C)C1CN([C@H](C)CCC(=O)NN)C1	1980601605	MVZFCDNHUZSWPU-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cncnc1Oc1ccccc1	1981422835	URYJBVZNSFORTO-UHFFFAOYSA-N	216.005	-0.051	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCOC2)nc1	1981429796	IBRHXRDXVPYQEA-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]3C2)ccc1B(O)O	1981470384	AUQJQRDNCQIOOX-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NNC(N)=O)C[C@H]1OC	1982332256	BHUPRTTWVMSVSU-KVSKUHBBSA-N	231.252	-0.874	50	10	BBGE	
COC[C@]1(F)CCN([C@@H](C)CC(=O)NN)C1	1984647551	XRUYXOKGMHFTOE-WPRPVWTQSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1[C@H](O)CN1c1nc(CCCl)nc(=N)[nH]1	1985742768	MWVCLNXEJSXBBN-PHDIDXHHSA-N	243.698	-0.365	50	10	BBGE	
COC12CC(C1)N([C@@H](C)[C@@H](C)C(=O)NN)C2	1986831767	UKVOXAHPYUSKDW-KZNVNZARSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](N)CSC[C@H]1CCC[C@@H](C(=O)NN)O1	1990164383	MQWHWGBMHWTAOF-YIZRAAEISA-N	247.364	-0.006	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1991331506	PHQHFSXZEBGUKK-ZOZBQHSOSA-N	221.065	-0.427	50	10	BBGE	
N[C@@H]1C[C@H](CNC(=O)C=CC(=O)Cl)C[C@@H]1O	1991651984	LHILKLBISQUPFW-RNJXMRFFSA-N	246.694	-0.478	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(=O)NC2	2003958020	LWNDVTNFKQIAGX-CIUDSAMLSA-N	240.307	-0.892	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@H]2CC[C@H](C(=O)NN)O2)CO1	2004766338	VGGRXNVMZGJVOO-DOLQZWNJSA-N	244.291	-0.282	50	10	BBGE	
CC[C@@H]1[C@@H](C)CCN1c1ncc(B(O)O)cn1	2004919714	CDXBQWGEXQDIFB-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCCN(c2ncncc2B(O)O)[C@H]1C	2004921569	XNPZQQBTSHDXHS-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H](F)C[C@@H](F)C1	2011405000	DNZLGWGXHFFMNY-OCAPTIKFSA-N	242.034	-0.352	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	2011806963	HLVYEGQWXZGBCR-QCLAVDOMSA-N	243.307	-0.900	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012897248	ALRKAIFYTLPELJ-VPOLOUISSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@@H]1CF	2014927267	YNJORLSTNIWPSE-MRVPVSSYSA-N	242.034	-0.161	50	10	BBGE	
CCC[C@H](C(=O)NN)N1Cc2cncnc2C1	2025620686	BZHGLAUGCWILHT-SNVBAGLBSA-N	235.291	-0.049	50	10	BBGE	
C[C@H](Oc1ccccc1C#N)C(=O)NNCCO	2031839765	NTVYFCSYIBEFDX-VIFPVBQESA-N	249.270	-0.061	50	10	BBGE	
CN(C)[C@]1(C)CCN(c2ncccc2B(O)O)C1	2052499653	WXYNNYQTGVDVHU-GFCCVEGCSA-N	249.123	-0.708	50	10	BBGE	
COc1cc(C#N)c(Cl)c(B(O)O)c1	2060100994	VEOVDEFGQWWRMS-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1cc(OC)c(B(O)O)cc1OC(F)F	2060186528	PLSVUZQLVUCXKS-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
N#Cc1nccn1C[C@H]1CCC[C@H](C(=O)NN)O1	2073541859	NOHOERFVIFRBQK-RKDXNWHRSA-N	249.274	-0.318	50	10	BBGE	
CN(C)C1CN(CC(=O)NNc2ccccn2)C1	2075115283	WSDVLYATVGKXKD-UHFFFAOYSA-N	249.318	-0.230	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)C[C@@H](O)C1	2210694629	IKPZDTYEOAEYAM-NTSWFWBYSA-N	241.213	-0.984	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@H]1CCO	2212239936	OWJXKHIZSHDXOM-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@H]1CC[C@H]1C(=O)NN	2215773036	ADVXSELOECHWJH-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@H]2C(=O)NN)[C@@H]1CO	2215774948	YVGZXFYZQJJNDJ-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217167217	MHUJYJNAIXUANH-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cccnc1OCC[C@H]1CCCN1	2217183788	OCJYOBKPVGVMRK-SECBINFHSA-N	236.080	-0.718	50	10	BBGE	
CN1CCC[C@H](Oc2cc(B(O)O)ccn2)C1	2217188006	IOWMYHJJFACBNJ-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
CC[C@@](C)(N)CCOc1cc(B(O)O)ccn1	2217194321	UUEZQWIIQIYUFA-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
N[C@@H](CNc1cc(B(O)O)ccn1)C1CCC1	2217198759	FYZWYVVAGGTFSJ-JTQLQIEISA-N	235.096	-0.699	50	10	BBGE	
CCC(N)(CC)CNc1ncc(B(O)O)cn1	2217202058	UMICXHOGFSVWMW-UHFFFAOYSA-N	238.100	-0.914	50	10	BBGE	
CC1(C)CCN[C@H]1CNc1cc(B(O)O)ccn1	2223627068	LLAOTQWENNUYCV-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCNC12CC2	2223628539	DKRBHGHDMZTEAN-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1cc(B(O)O)ccn1	2223633406	WHVRDFDKARHXNI-UMNHJUIQSA-N	248.091	-0.768	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CC[C@H](C2)N3)c1	2223634027	DTFIXQIXLUMMKR-JGPRNRPPSA-N	247.107	-0.544	50	10	BBGE	
C#CCCN(CCOC)c1cc(B(O)O)ccn1	2223648117	HILCQTMTRCSKLC-UHFFFAOYSA-N	248.091	-0.763	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)c1ccc(B(O)O)cn1	2223648422	KVZOIYYJYBGVTD-LBPRGKRZSA-N	244.103	-0.001	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C=CCCCC2)[nH]c1	2223676539	CHJOMFGAUCTSRU-JTQLQIEISA-N	247.107	-0.263	50	10	BBGE	
O=C(NCC1CC(O)C1)C1(B(O)O)CCC1	2243347880	RHKYQBQZEWBFLV-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)C1(B(O)O)CC1	2243363171	BWDPSULGLUEHRV-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
C[C@@]1(CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243373490	QNHHUCHGQJAZSU-XKSSXDPKSA-N	227.069	-0.777	50	10	BBGE	
N#CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2243381058	BTNBFKDFZQEHNR-OCAPTIKFSA-N	222.053	-0.198	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243392159	RUOCXJOUEYKTIK-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
CCC1(NC(=O)c2ccc(B(O)O)o2)CC1	2243406520	AFFGFMWNRBPKAR-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)sn1	2243415178	PSVDZVLYPQJCNT-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
Cc1scnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243420148	NIEVSHSMIXJIRG-NKWVEPMBSA-N	240.093	-0.069	50	10	BBGE	
O=C(NCCF)Nc1ccccc1B(O)O	2243432796	DONJUHCALVOHEB-UHFFFAOYSA-N	226.016	-0.543	50	10	BBGE	
C=CC1(NS(=O)(=O)CC(=C)B(O)O)CCC1	2243433599	NUYWAVNXXHEDNY-UHFFFAOYSA-N	245.109	-0.417	50	10	BBGE	
CC(C)=CC(=O)NCc1cnc(B(O)O)s1	2243669232	UIEHKNCQGCZYHW-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCC1COC1	2246738351	GYGCGYWAMCHYDU-UHFFFAOYSA-N	237.064	-0.515	50	10	BBGE	
COC1(COc2ncncc2B(O)O)CCC1	2247369991	RIZSTJJNEFCCBO-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
O=C(Nc1cnsc1)c1ccncc1B(O)O	2247733354	BAVHGUNFQHWQAQ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccc(B(O)O)s2)C1	2247739975	DOEIIKFUXJUNTK-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
CC(C)C[C@H](CN(C)C)NC(=O)C#CB(O)O	2247743462	DRPJUQHOOVLVEM-SNVBAGLBSA-N	240.112	-0.906	50	10	BBGE	
CCC[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247748005	WHYGTJQHUYHCML-MRVPVSSYSA-N	238.096	-0.140	50	10	BBGE	
CC1(C)CCC[C@@H](CNC(=O)C#CB(O)O)O1	2247748132	YGLXKEYBXFGRJC-VIFPVBQESA-N	239.080	-0.534	50	10	BBGE	
COCCNC(=O)c1cccc(C)c1B(O)O	2247751756	BRDLKVDDPJKNMO-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
COCC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247800589	QLJKCOWMRBHDJR-VHSXEESVSA-N	241.096	-0.266	50	10	BBGE	
O=C(NCC12CC(CN1)C2)[C@H]1C[C@H](B(O)O)C1	2247803351	APQYFGYNVMWMNS-RDDJWAPESA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2247809422	ZGHXEGALQPPYDR-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2247849380	ZGDXCNBJLZBVBU-BDAKNGLRSA-N	234.064	-0.777	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H](F)C1	2247852800	ZTYBKCHURMAWDS-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@@H]1F	2247854659	GRVZMRCIDVVCOR-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)C1CCC1	2247860023	QUCOCRVENFITEL-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
CN(C[C@]1(C)CCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2247860040	QYOSFEHGGBUUOK-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N(C)CCF	2247874946	QUMASTXACWTAJE-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
CN1CCCN(C(=O)C2(B(O)O)CC2)CCC1	2247878194	IFUNYZBNDMPMTJ-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CCN	2247886418	BIYCHONMOBOENV-ZYUZMQFOSA-N	240.112	-0.707	50	10	BBGE	
C[C@H](NC(=O)C(F)F)c1ccc(B(O)O)cc1	2248398682	VZQMDFFRKROUAG-LURJTMIESA-N	243.018	-0.191	50	10	BBGE	
C[C@@H](CN(C)C(=O)C1CC(B(O)O)C1)C(=O)O	2248586039	UTSZILHWAULOMK-KKMMWDRVSA-N	243.068	-0.582	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1cc(B(O)O)co1	2249432985	GFHJZEJAKLQGQY-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccc(B(O)O)cc1	2252740042	MNVQNSJWOHPZAE-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2ccc(B(O)O)o2)C1	2255460228	REVHMNIEVCNQQT-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
O=C(c1occc1B(O)O)N1C(=O)[C@H]2CCC[C@@H]21	2255490946	PKGTYGYRJWFJCD-XPUUQOCRSA-N	249.031	-0.890	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(F)cc1B(O)O	2255686809	XEBURHPONQQTPP-SNVBAGLBSA-N	249.050	-0.212	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCC2(CC2)C1	2255692912	XECWNWRTGUSXCI-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1ncccc1B(O)O	2255714142	MPXVQSSUOKLEOM-QPUJVOFHSA-N	248.091	-0.463	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1ncccc1B(O)O	2255716685	TXCHHJWENWPARH-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1ccc(C)cc1B(O)O	2255729867	CAKNEIFXMCLQQG-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(C)cc1B(O)O	2255736655	RIFJCFRYOFKRCS-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1O	2255934383	KAQJZCHXRMCNRQ-QMMMGPOBSA-N	249.075	-0.304	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CC[C@@H]2C1	2258124049	XCFPLSSZHXVIEK-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN[C@@H]2COC[C@@H]21	2297207975	NVUVCRPKNSEDMT-HLTSFMKQSA-N	215.684	-0.210	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C=C[C@@H]1C2	2298367408	DMWXTQNMQBBDTF-IONNQARKSA-N	232.048	-0.905	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccoc1B(O)O	2298367634	OCLJVMNSRLRFDP-YEPSODPASA-N	235.048	-0.512	50	10	BBGE	
COC[C@]12CCO[C@H]1CN([C@@H](C)C(=O)NN)C2	2299722265	UXLGLKYCNIOMGK-ATZCPNFKSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@@H](F)C1=O	2301877652	ROPKWRATHNDPLU-DJLDLDEBSA-N	243.282	-0.037	50	10	BBGE	
OB(O)c1cc(N2CCC[C@@H]3C[C@H]32)ncc1F	2303847607	LIHGTSYXBHUFFD-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]3CC[C@H]2O3)c1	2312612166	FAMXMOSGDDTWAV-DVVUODLYSA-N	248.091	-0.259	50	10	BBGE	
CCCC(=O)NNC(=O)C=CC(=O)O	2313793452	SAJYVLHFOAXEAC-UHFFFAOYSA-N	200.194	-0.425	50	10	BBGE	
CCc1cnn(-c2ccc(B(O)O)cc2C#N)c1	2317126772	KIPXESBLUCXWCL-UHFFFAOYSA-N	241.059	-0.014	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNCCOCCO	2324515638	GMJLDITYNVRXNZ-UHFFFAOYSA-N	241.291	-0.483	50	10	BBGE	
NNC(=O)CCOc1ccc(CO)cc1	82465526	IVBNRYDYOPUDCC-UHFFFAOYSA-N	210.233	-0.062	50	10	BBGE	
CCCN(CCN(C)C)C[C@@H](C)C(=O)NN	82470137	KIXODYLAWQDRAQ-SNVBAGLBSA-N	230.356	-0.114	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCO)C1CC1	82470835	OCQWSBXMEWZSRD-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)c1coc(CN2CCOC2=O)c1	82471323	PHIUOHIZVWIAJY-UHFFFAOYSA-N	225.204	-0.165	50	10	BBGE	
Cn1ccn(CCOCCCl)c(=O)c1=O	82513499	IGTYVDOXYBVCDA-UHFFFAOYSA-N	232.667	-0.198	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1CCNCC1	86313663	YGTDQYQAFSRHQP-BDAKNGLRSA-N	228.340	-0.315	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C(=O)[C@H](C)Cl	130220822	VRZJGBFBXVWNBR-JGVFFNPUSA-N	248.710	-0.023	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@H](Cl)C#N	132549962	BIVDHGQSPWCRRD-PHDIDXHHSA-N	215.640	-0.536	50	10	BBGE	
CN1C(=O)C(=O)N(C[C@H](Cl)C#N)C1=O	132573468	BCRSAMMEDVSZGY-SCSAIBSYSA-N	215.596	-0.462	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C(C)(C)CO	134187692	HRNCAHGNAXFTPN-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CCOC(=O)NN/C(N)=C\C(=O)OC	138625643	UUDHSUYUOLPFQF-PLNGDYQASA-N	203.198	-0.790	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(=O)N2CCC[C@H]2C1=O	139599311	GMGQEIKMCXCUDK-SFYZADRCSA-N	241.678	-0.049	50	10	BBGE	
CC(C)N1CC(=O)Nc2ccc(B(O)O)cc21	197660918	DNFNGEVRDWWNKD-UHFFFAOYSA-N	234.064	-0.467	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NC[C@@H](C)O	216550519	KYTCFAJUYUEDBT-XZZQCUQZSA-N	227.264	-0.873	50	10	BBGE	
OB(O)c1cncc(O)c1C(F)(F)F	238636885	QEUDRYANIQVRTB-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CN1CCC(C[C@@H](N)C(=O)NN(C)C)CC1	258962811	CGFRVFXKSSVYCC-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1CCO	304534085	JFWHZTDCVCZFNY-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
CNC(=O)CC1CN([C@H](C)CCC(=O)NN)C1	382294412	VVCREGAYQXCUNR-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(F)F)C1CC1	386956729	OKAIKKFQEAJOQG-SSDOTTSWSA-N	237.250	-0.279	50	10	BBGE	
CC(C)(CCSc1nncn1N)C(=O)NN	395612085	JSVDBRRAEAEFRL-UHFFFAOYSA-N	244.324	-0.510	50	10	BBGE	
N#Cc1cc2cc(B(O)O)cc(CO)c2s1	396212903	CKOHMHXQGHGYQB-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ccc[nH]1	405007740	QSNSORYJIODICR-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
CCOC(=O)N(C)Cc1cccc(B(O)O)c1	405158388	ZCVDRMABQZLGPF-UHFFFAOYSA-N	237.064	-0.045	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C[C@H](Cl)C#N	690292852	HETURLRZZZJBKQ-BDAKNGLRSA-N	219.716	-0.028	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2ccc(B(O)O)n2)O1	694226562	DQDHUSQYRJDDKZ-HTQZYQBOSA-N	210.042	-0.870	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCCC2(F)F)c1	694562847	QGUQJZUPQYEYPM-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
CCOC(=O)/C(C#N)=C/c1nnn(C)n1	696773970	GELQSRWBIVWJAH-GQCTYLIASA-N	207.193	-0.320	50	10	BBGE	
Cn1cc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)cn1	703474831	NVTTXQGRXJKCAP-IUCAKERBSA-N	235.243	-0.164	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1CC12CC2	705172879	DYYPKWCOTWYXFW-LLVKDONJSA-N	245.087	-0.217	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](C)[C@@H]1CO	708470871	XNGSFVWGJYKIEJ-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](C(N)=O)N(C)S(=O)(=O)CCCCl	711063427	ZSCZWUDEFXNHLG-LURJTMIESA-N	242.728	-0.249	50	10	BBGE	
CCN(C)C(=O)N1CCc2cc(B(O)O)ccc21	712160427	GWEMSWNWVAXRKX-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
OB(O)c1cccc(OCC[C@@H]2CO2)c1	718545558	XYSQZWVFYPCQMR-SNVBAGLBSA-N	208.022	-0.466	50	10	BBGE	
CC(=O)NNC(=O)Nc1c(C)cnn1C	824399273	TUHBIALZBMROTA-UHFFFAOYSA-N	211.225	-0.099	50	10	BBGE	
CCCOCC(=O)NNC(=O)c1cnsn1	894287348	DPFGROBJVNLIHL-UHFFFAOYSA-N	244.276	-0.274	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)C[C@@H](C)O)c1C	910168102	OSHAZJZXHMFHMU-ZCFIWIBFSA-N	226.280	-0.016	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccccn2)n1	1137979123	WGXDJVCMUJYFII-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)[C@@H](C)C#N)n[nH]1	1143273096	OHCOYBQPQCSSRA-LURJTMIESA-N	235.247	-0.432	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccccn1	1153264412	OSMJOTULEVLIEQ-UHFFFAOYSA-N	219.208	-0.789	50	10	BBGE	
CCC[C@@H](NC(N)=O)C(=O)NN(C)[C@H](C)CO	1299923456	MSNRBSSAPNBZKJ-HTQZYQBOSA-N	246.311	-0.833	50	10	BBGE	
CS(=O)(=O)/C(C#N)=C\Nc1nc[nH]n1	1565518448	BWPJLSVATIHIGB-HYXAFXHYSA-N	213.222	-0.374	50	10	BBGE	
N#CCC(=O)NNC(=O)c1ccnnc1	1570430077	GHEZRHVVENZQPF-UHFFFAOYSA-N	205.177	-0.849	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1598278071	HHBNXZDUSMJUAR-QMMMGPOBSA-N	240.263	-0.360	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1nnc(N)s1	1623768255	WXSQFARQMNZFGH-UHFFFAOYSA-N	245.264	-0.608	50	10	BBGE	
COC(=O)C[C@H](N)C(=O)NCCCl	1865964042	JNYMLTHNGNXYEZ-YFKPBYRVSA-N	208.645	-0.768	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880029411	BLWQVQSQRZKGTC-NKWVEPMBSA-N	247.295	-0.407	50	10	BBGE	
O=C1C[C@@H](NC(=O)CBr)CCN1	1881022620	RAEQGHHUCMOTMN-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
N[C@@H](CC(=O)O)C(=O)NC1CC(Cl)C1	1884411189	ADAJXJOLPBRERZ-WRVKLSGPSA-N	220.656	-0.326	50	10	BBGE	
NNC(=O)COCCO[C@@H]1CC1(F)F	1885983295	FEFQWSVMVHCHBH-RXMQYKEDSA-N	210.180	-0.583	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)Cl	1888563827	SDDZLYSENLOYNJ-RXMQYKEDSA-N	228.701	-0.074	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893468989	DQDTYRYIQJPUPE-ZVQZEWSASA-N	221.640	-0.435	50	10	BBGE	
CC1(CF)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1894036977	RSWQVJMHZIXGFG-JGVFFNPUSA-N	215.272	-0.096	50	10	BBGE	
NNC(=O)COC[C@@H]1COC2(CCC2)CO1	1901197285	POTLLJPCKMMERG-MRVPVSSYSA-N	230.264	-0.669	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	1904703628	FUIMYMLHUFUZQZ-YIZRAAEISA-N	228.101	-0.742	50	10	BBGE	
CC(N)=C(C#N)C(=O)CSc1nc(=N)[nH][nH]1	1911631724	POSVLZJQCMZSJH-UHFFFAOYSA-N	238.276	-0.365	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCCC2)C[C@@H]1CO	1912752735	DAZYMBZWPRLCEL-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1ccc(C(=O)NN)o1	1914254249	IWBXWQWIUUEKQB-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(O)CCC1	1914572035	RUTFLGHTNRDVBV-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C1COC1	1915659272	XMXNZRBIMADISB-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@@](F)(CCl)C1	1917117065	PZTTUNBZPJDAHM-MRVPVSSYSA-N	247.661	-0.148	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CO)OCCl	1928734559	AYUGRDVKJPKFNT-NTSWFWBYSA-N	209.629	-0.084	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H](F)C1	1930649520	LJOFRPIKKWVZDI-PHDIDXHHSA-N	203.217	-0.769	50	10	BBGE	
CCCN(CCO)CC1(C(=O)NN)CC1	1931265126	KJHHTOVDNUQGGQ-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
C[C@H]1COC[C@@H]1OCC1(C(=O)NN)CC1	1931266386	FAXAKFBKWNUSIY-YUMQZZPRSA-N	214.265	-0.192	50	10	BBGE	
CN1CC2(C1)CN(C[C@H](O)CBr)C2	1932060921	MZQKFPIELZVIGR-MRVPVSSYSA-N	249.152	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(OCCO)C1	1932099647	QQTHZLDQUXQKEH-LURJTMIESA-N	207.657	-0.167	50	10	BBGE	
Cn1nc(C(=O)NNC(N)=S)cc1Cl	1933197948	VVYZMBVFFUSDBU-UHFFFAOYSA-N	233.684	-0.449	50	10	BBGE	
COC[C@H](COC[C@@H]1C[C@@H]1C(=O)NN)OC	1936094596	OOXMRGLAQDLPJM-YIZRAAEISA-N	232.280	-0.710	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COC[C@@H]2CCl)nn1	1937184245	XMHFRZLBZHHLSQ-POYBYMJQSA-N	244.682	-0.201	50	10	BBGE	
CCN(C)[C@H]1CCN([C@H](C)CC(=O)NN)C1	1939072727	GIWRUCWBGNQNDE-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C(=O)N(C)C)C1	1940303259	LIOHKMMHKWVCNB-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]2(CCOC2)C1	1941085442	LYPAXOOENRWAKV-UMNHJUIQSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](N2CCC2)C1	1941086898	KVSDJIGMSOQYOT-GARJFASQSA-N	238.335	-0.608	50	10	BBGE	
O=C(Cc1ccccc1C(=O)O)NNCCO	1944216000	POWZUBIKLNUCDR-UHFFFAOYSA-N	238.243	-0.460	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)[C@H]2COC[C@H]21	1955240619	OWHMNYPLXBFHRP-BZNPZCIMSA-N	216.668	-0.191	50	10	BBGE	
OB(O)c1cnn([C@@H]2CC[C@@H]3C[C@@H]3C2)c1	1957525328	QKFLMNNZZVUYSN-NQMVMOMDSA-N	206.054	-0.076	50	10	BBGE	
ClC[C@@H]1C[C@H]1N=c1ccc2nnnn2[nH]1	1957827156	ZTGDWMFEVHPMKW-NTSWFWBYSA-N	224.655	-0.020	50	10	BBGE	
CCc1nc(C(=O)NCB(O)O)c(C)o1	1960519787	NJRUQQAXWMAPHJ-UHFFFAOYSA-N	212.014	-0.713	50	10	BBGE	
CN(c1ccncc1B(O)O)C1CSC1	1961679667	OAIKQNRFZMTPQL-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1[C@H](C)C(=O)NN	1961683412	IBCANJMIOSWFLB-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
O=C(c1cnccn1)N1CCC(B(O)O)CC1	1964500805	OGJCUOYRRBAIIF-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CCC2(CC2)C1	1971525742	UWXYQFZIGSKOMM-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
CC(C)(C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1976986270	BXUJVMGNLHFDRR-YFKPBYRVSA-N	232.045	-0.990	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@H](O)C1	1980522507	ZZOFFPLNIJNOED-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@@H](O)C1	1980522509	ZZOFFPLNIJNOED-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@H](C)CCCl)C1	1985797058	QSFGWKVEPGMCPZ-SSDOTTSWSA-N	248.710	-0.036	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987562769	PMZIZHQAWLAONP-KXUCPTDWSA-N	226.324	-0.611	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@@H]1CCNC1=O	1991285919	MHFXDIMYCHHTIT-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccns1	1991345342	NHURWQZDOOCXBM-SSDOTTSWSA-N	238.077	-0.026	50	10	BBGE	
N[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@H]3Cl)CCN2C1=O	1991456260	QUOAKPCAZKKOTE-SGIHWFKDSA-N	243.738	-0.143	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](O)C1(C)C	1991462259	UMUJMXZGXLDIDL-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCC(=O)NC1=O	1991654059	GXFMWUYSDIYZRJ-RXMQYKEDSA-N	244.634	-0.771	50	10	BBGE	
CC(C)(CN1CC[C@@H]2COC[C@@H]21)C(=O)NN	1992336641	DOWBGYZYMHGIIK-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
N#CC1(O)CCN(C[C@]23CNC[C@H]2C3)CC1	1993205022	VXUDZZPXAJEMHL-MNOVXSKESA-N	221.304	-0.054	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C12CCC2	1993529700	YKMHFUGUOIYCPW-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](C(=O)NN)N(Cc1cnn(C)c1)C1CC1	2003796208	FPLDUMPWQNXELE-MRVPVSSYSA-N	237.307	-0.237	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2C[C@@H]2C1	2005014759	QDNAHVHHYMKWJU-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
CN(C1CC1)C1CN(CC(C)(C)C(=O)NN)C1	2005180067	PJJMAKXPEVSBTC-UHFFFAOYSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)C2(CCCCC2)C1	2006030899	SVHITTNAWJNXDE-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C(=O)N(C)C)C1	2008308860	UQAHZJBFVMJHJY-SECBINFHSA-N	242.323	-0.979	50	10	BBGE	
OB(O)c1cnn(Cc2ccn(C3CC3)n2)c1	2013741526	FUQXPBWGQIXIBF-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
COC(=O)NC[C@H]1CCN1C[C@H](C)C(=O)NN	2014047267	ZWQVKDHEIAJPQA-JGVFFNPUSA-N	244.295	-0.957	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	2014233105	WSZPFSOXOMXISK-VHSXEESVSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2016495673	AQKJUKDXYQOZBE-USNOUSKRSA-N	240.303	-0.089	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CC[C@H]1CC(F)C2	2017214215	LLWHBEDKYXGORS-UWVGGRQHSA-N	245.298	-0.042	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2019179148	NMYXAHMRVDWGDG-SXLYUPOASA-N	237.303	-0.260	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)CC(=O)NNC(C)=O	2019208115	FJHLMNWZHCRMPA-UWVGGRQHSA-N	243.307	-0.347	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H]1CCOC1	2019604703	GGWNDGXPLNGEAD-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCCC12COC2	2020927077	CSTUTHKMXAKHQI-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ncc[nH]1	2021383810	CYAZFPFXZFJYKP-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
N#CC1CN(C(=O)Nc2ccccc2B(O)O)C1	2046352177	KBOCOBFTZQILCC-UHFFFAOYSA-N	245.047	-0.646	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3COCC[C@@H]32)nc1	2052470619	GMFLSRRRLJOTBJ-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCCC12CC2	2052473635	WVVVMDDDOODILS-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(CN(C)c2ncncc2B(O)O)co1	2052474243	ZCSYQVIPSXXGLF-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
COc1cc(B(O)O)cc([N+](=O)[O-])c1F	2060093321	TXNVABORHHUNKD-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2nccn12	2077481911	BTUIIFFOXUEPLW-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]1c1ccccc1	2077492823	RMRGHXUWEOKEAN-NEPJUHHUSA-N	243.071	-0.078	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccccc1B(O)O	2079008356	ILFWXTWUOIPPHK-JZYVYDRUSA-N	245.087	-0.248	50	10	BBGE	
CCON(C)Cc1cscc1B(O)O	2209703454	RKNJNBDSCBXSGL-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
O=C1CN(C[C@]23COC[C@H](C2)C3)CC(=O)O1	2211546039	GAHAGKNFPJEBPW-DKTWLAJQSA-N	225.244	-0.202	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1cccc(B(O)O)c1	2214600981	WWTQEGUERMKFSZ-JOYOIKCWSA-N	235.092	-0.679	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H]1CC[C@H]1C(=O)NN	2215776398	MNPCVFJGFISZKI-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
Cc1cnc(N2CCO[C@H](C)C2)cc1B(O)O	2217178808	BAHJOEXXOJJTGS-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2217179208	HYYGYIHFRMHGOW-HAFWLYHUSA-N	240.043	-0.918	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@H]3C2)c1F	2217185182	YVBHOXXVUWKWRH-SFYZADRCSA-N	236.055	-0.253	50	10	BBGE	
N[C@@H]1CC12CC(Oc1ncccc1B(O)O)C2	2217185431	XFTCRALNWFGMRI-PUDKOPFASA-N	234.064	-0.980	50	10	BBGE	
Cc1cnc(OC(C)(C)[C@H](C)N)cc1B(O)O	2217193891	PGKLDQBBKOENPJ-QMMMGPOBSA-N	238.096	-0.426	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@H]2CCNC2)cc1B(O)O	2223642374	IERUDMGDOJBTDW-UWVGGRQHSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2N[C@H]3CC[C@H]2C3)nc1	2223644661	MFRAITDLIXAODD-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c1F	2223651503	XLVHBOAWQDKSIB-ODXREFDESA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1cnc(=NCCC2CCCCC2)[nH]c1	2223665465	GHQBTSWWWRYFDB-UHFFFAOYSA-N	249.123	-0.039	50	10	BBGE	
CN(C[C@H]1CCCCN1)c1ncccc1B(O)O	2223666534	MIQQMHTULYPODB-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
CC1CN(C(=O)N[C@@H]2CCC=C2B(O)O)C1	2242835748	FDRNJQBQSBWBJS-SECBINFHSA-N	224.069	-0.252	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)C1CNC1	2243397832	JYBVMZWCLRPZRA-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
NCCCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243404292	LZYDCBBWLKABOY-IUCAKERBSA-N	226.085	-0.953	50	10	BBGE	
CCON(C)C(=O)c1scc(B(O)O)c1C	2243427239	SDQVSNWQPUKRTL-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(C)=C(C)C1)B(O)O	2243433336	KXOXFZOAQDLLEY-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCCCC1)B(O)O	2243434520	ZPNMVPDUPNMEEU-UHFFFAOYSA-N	247.125	-0.240	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1CC12CCC2	2243600251	VAJKLNWCSVXTSO-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
C=CCCCOc1ncnc(C)c1B(O)O	2243956200	ISOJOTIKPBIJEH-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
CC(C)COCC(=O)NCCC#CB(O)O	2244550758	VTAYAIKLCVODKZ-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)NCC=CB(O)O)C1	2246931945	RBURHAOICQDTLJ-DTORHVGOSA-N	242.084	-0.579	50	10	BBGE	
CC=CCCNC(=O)c1ccc(B(O)O)cn1	2247771948	ZMXAOJQBPXSGJJ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247787691	SKSUOZZGGUFXGN-IMSYWVGJSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC1C[C@H]2C=C[C@@H](C1)O2)[C@H]1C[C@@H]1B(O)O	2247792404	SFICYTMZLKNPBS-NSRVDLHZSA-N	237.064	-0.549	50	10	BBGE	
CNC[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247805947	LIZKJVOLIFVHTO-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247849883	GMXLGYGRTPQYDI-UHFFFAOYSA-N	236.080	-0.269	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@](F)(CO)C1	2247851137	DFNAGSPAPIWSIP-NQMVMOMDSA-N	245.059	-0.828	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)c(C)c1	2247853298	JOCSTNBELUUJBY-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cc2F)CC1	2247867464	FYAXBBPEBKSBRQ-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H]2[C@H]1CO)C1(B(O)O)CCC1	2247874880	QPFDEOXWQXRYIW-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
Cc1nn(C)cc1CNC(=O)C1(B(O)O)CC1	2247878569	LTNMHARMNLPKKI-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
O=C(N[C@@]1(CF)CCNC1)[C@H]1C[C@H](B(O)O)C1	2247893966	ATGBRWVQRAWKIY-NQMVMOMDSA-N	244.075	-0.943	50	10	BBGE	
CCCN1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247898203	BFGKUGQHEVDVTD-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
CC(C)COC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899288	MCVMQOHXNYZOSS-VHSXEESVSA-N	241.096	-0.267	50	10	BBGE	
CN(CCCCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248584885	CRGKTWHGWRVQJQ-JGVFFNPUSA-N	243.068	-0.437	50	10	BBGE	
CC1CC(N(C)C(=O)c2cocc2B(O)O)C1	2249416267	OZOCJGXAHQRDHQ-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255466054	SLPGULPFCMHHSW-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)ccc2OC)C1	2255500487	KHPHKQDXXHETFS-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@@H]2CCC[C@H]21	2255579452	ROSYFFCNDRQPAH-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
N#Cc1cccc2c1N(C(=O)C#CB(O)O)CC2	2255670704	ZQPQLHHVNDGXDY-UHFFFAOYSA-N	240.027	-0.537	50	10	BBGE	
C#CCCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2255673632	RLIRMPNZPWJRNJ-UHFFFAOYSA-N	248.091	-0.432	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CCC[C@H]21	2255692114	SJSZTXIZAUEIKJ-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)c(F)c1	2255724161	LUBQTZKGXCRMAE-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C2CCC1CC2	2255730076	GEOHRWGFPGTZRO-UHFFFAOYSA-N	248.091	-0.528	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC2(CC2)C1	2255736966	XDWAWZJIARAHMC-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1n[nH]cc1B(O)O	2255762980	DQMIPHQSBGDTTE-RDDDGLTNSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC[C@@H]2C[C@H]21	2255954085	SLLGWSBSJFXQGP-GMSGAONNSA-N	247.059	-0.694	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256016727	MXTCTEWFYOLPTM-MRVPVSSYSA-N	247.059	-0.786	50	10	BBGE	
CC1CCN(C(=O)c2nccnc2B(O)O)CC1	2256052821	AXIBIOFMBORBTM-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(NCc1ccncc1)c1cc(B(O)O)co1	2258126133	CNXBLJBACZGTFE-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370166	QDHUVXIOEKVXEF-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1C	2298376798	OXCPGTSYUUZHDR-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2302020941	UTTSYDKIKKEPQJ-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1CC[C@H]1C(=O)NN	2302494778	KUYPOEFABJCCOS-MXWKQRLJSA-N	243.351	-0.049	50	10	BBGE	
CC1(C)NC(=O)O[C@H]1CN1CC[C@@H](B(O)O)C1	2303096074	ATWUMKDEAUZGTC-SFYZADRCSA-N	242.084	-0.578	50	10	BBGE	
CC[C@@](C)(Cn1cncc(F)c1=O)C(=O)NN	2303432855	WTPMKNGTEZIVRY-JTQLQIEISA-N	242.254	-0.211	50	10	BBGE	
C[C@@H](CCCN)Oc1cc(B(O)O)c(F)cn1	2303856481	WRLZCGIUFCEKCV-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCOC1	2317161933	GWFOFCDYSNEJQP-VIFPVBQESA-N	246.075	-0.314	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)C[C@H]2CN[C@H]1C2	2317203884	NTKKEOICLKOGSF-PEXQALLHSA-N	248.091	-0.719	50	10	BBGE	
CN(CC(=O)NN)S(=O)(=O)c1cccs1	37388182	PVLMPZVAOQZZHS-UHFFFAOYSA-N	249.317	-0.642	50	10	BBGE	
COCCNC(=O)CNC(=O)CCCl	41694119	JVILHNLPXMDIEU-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
CCN(C1CCNCC1)[C@H](C)CC(=O)NN	82470783	MQMBVPUOYBVJEG-SECBINFHSA-N	228.340	-0.171	50	10	BBGE	
N#C[C@@H]1CN(S(=O)(=O)CCl)CCO1	86656990	VGNWHHXSODNOSZ-ZCFIWIBFSA-N	224.669	-0.263	50	10	BBGE	
CC(=O)N1CCN([C@@H](C)CCC(=O)NN)CC1	104111544	ULBSWVZABNATDQ-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](C(=O)NN)C(C)C	110588366	FGOCOSPUJUMBMJ-SNVBAGLBSA-N	244.339	-0.412	50	10	BBGE	
CNC1(C)CCN(CC(=O)NNC(C)=O)CC1	129898438	ZTHUICJNVJTPBH-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
C[C@H](NC(=O)N1CCCCC1)C(=O)NN	139701650	XZWIQEBQZPOWJB-ZETCQYMHSA-N	214.269	-0.440	50	10	BBGE	
N#Cc1ncn(CCCCC(=O)NN)c1C#N	156313977	VXAJBBSUSIDXBT-UHFFFAOYSA-N	232.247	-0.213	50	10	BBGE	
COC[C@@H](C)N(C)Cc1ccccc1B(O)O	199002843	OIGFMAJNKKPBQS-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)CCN1C	203465097	MYIVAVWLRLXGEE-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC(N)=O)CC(C)C	212064525	CTZWDDLPSFSKCO-VIFPVBQESA-N	244.339	-0.412	50	10	BBGE	
OB(O)c1cnc(OC(F)(F)F)cn1	238635579	UPCDVTNBSPYJBK-UHFFFAOYSA-N	207.904	-0.945	50	10	BBGE	
C[C@@H](CN1CCCN2CCC[C@H]2C1)C(=O)NN	251100013	MQVXLAZIWWLBMV-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
Nc1c(B(O)O)cc2sccc2c1O	306823258	SMTQKOAIUVTNGO-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COCCN1CC[C@]2(CC(=O)OC2=O)C1	382185704	BPVAQLUKMHGNIN-JTQLQIEISA-N	213.233	-0.202	50	10	BBGE	
COC(=O)[C@@H]1N[C@@H]2C[C@H](Cl)CC[C@H]2NC1=O	385858206	VXCXDHPZFMYVAE-WCTZXXKLSA-N	246.694	-0.224	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](SC)C1	394742717	NUCBKHCHLVLOLY-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
N=c1ccn([C@H]2C[C@@H](Cl)[C@@H](CO)O2)c(O)n1	395276752	PRVPTKWTZHAFNZ-ATRFCDNQSA-N	245.666	-0.045	50	10	BBGE	
N#CCc1ccc2nc(B(O)O)oc2c1	396111793	KASKYGHTFDEHMP-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
O=Cc1cc2sccc2c(B(O)O)c1CO	396332587	GNQHCJMNNHWFAU-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398892265	ZVAGEDVAUUOAHX-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@H](O)CN([C@H](C)CC(=O)NN)C1	401718391	XKCZDNPQASKEJS-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)NNS(=O)(=O)N1CCC[C@@H]1C	495463290	IDIGQFDGEPPLEC-LURJTMIESA-N	237.281	-0.424	50	10	BBGE	
Cn1cnnc1COc1cccc(B(O)O)c1	690862226	SNMZYHXALCQWOD-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)CCl)C(=O)NC	700567431	LYZGZZVFGUYWDD-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
O=C(Cc1noc2ccccc12)NCB(O)O	706488306	JGKGSELTTBGZBZ-UHFFFAOYSA-N	234.020	-0.502	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1COC[C@H]1C	710920749	UZPWRLQKPLQHAB-KXUCPTDWSA-N	229.324	-0.032	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CF)C1	711447274	JIPZXPZWBCENGS-JGVFFNPUSA-N	219.260	-0.717	50	10	BBGE	
C#CC[C@H](COC)N1CC(=O)OC(=O)C1	716348126	HHRQCCUTBHJVNM-MRVPVSSYSA-N	211.217	-0.590	50	10	BBGE	
CN(C)NC(=O)NCc1c(C(=O)O)cnn1C	721552849	TVBWVKIZLVRQKC-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
C[C@@H](CN1C2CCC1(CO)CC2)C(=O)NN	723022264	NDJLAZPPZHIQGB-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H](C=NNC(=O)[C@@H]1COCCO1)C1CC1	853313039	CCOXCGGUJXPKNI-ZJUUUORDSA-N	242.275	-0.071	50	10	BBGE	
COCCC(C)=NNC(=O)c1cn(C)nn1	853383226	SOTWGLDFBXPQBE-UHFFFAOYSA-N	225.252	-0.043	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C12CC(C1)C2	863865009	FFIMKGBIGPMRDM-UHFFFAOYSA-N	211.265	-0.505	50	10	BBGE	
CCN(CCO)NC(=O)c1cc([N+](=O)[O-])c[nH]1	1163281024	JKCZYHBBFJJMMI-UHFFFAOYSA-N	242.235	-0.118	50	10	BBGE	
CN(C)CCN(C)Cc1cscc1B(O)O	1231944847	AQXLNLBCRBJVOE-UHFFFAOYSA-N	242.153	-0.579	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccncc1	1289419329	HRENJDIGUAEZGY-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C1=C[S@@](=O)CCC1	1468765491	VRQCUPICAUCADY-BCTVWOGZSA-N	246.332	-0.243	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ccnc(F)c2)CO1	1567462603	DWSRHDFNGZCQRK-ZCFIWIBFSA-N	240.194	-0.228	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)c1cnsn1	1634277880	LCMZEIRHIKSCQC-UHFFFAOYSA-N	244.276	-0.540	50	10	BBGE	
CNS(=O)(=O)NC[C@@H]1C[C@@H]1Br	1877380424	OBXFYMBYGYDHRO-WHFBIAKZSA-N	243.126	-0.176	50	10	BBGE	
NC[C@@H](O)C(=O)NCC(Cl)Cl	1880168482	VEKRKQVGHGIFAN-GSVOUGTGSA-N	201.053	-0.774	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1C[C@H](O)C1	1883648380	ZHRRZVGCCZNLRP-DFZBWKJHSA-N	203.625	-0.053	50	10	BBGE	
NNC(=O)CSc1ncc2n1CCC2	1884552322	AGSYQEYZFUZGQB-UHFFFAOYSA-N	212.278	-0.089	50	10	BBGE	
CCC[S@@](=O)N1CC[C@@](C)(B(O)O)C1	1891515998	CNGHOSXYJSHKJT-XLKFXECMSA-N	219.115	-0.001	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCSC1	1891994424	OGOSBEDETOCVOV-PHDIDXHHSA-N	201.056	-0.618	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@H]2Br)[nH]c1=N	1892898908	WLQFVBQDDCOPII-RFZPGFLSSA-N	246.112	-0.155	50	10	BBGE	
CN(CCN)S(=O)(=O)NC[C@H]1C[C@H]1Cl	1893128343	OARXTAQRWFTOCR-RNFRBKRXSA-N	241.744	-0.661	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893445666	FGZFLMWRKPJGDA-JKUQZMGJSA-N	221.640	-0.171	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@@H]2CC1=O	1893851883	IHBZPGYZXRZAPR-PRJMDXOYSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCC2=O)O1	1896929999	RENDSEITLPWKAN-SFYZADRCSA-N	227.264	-0.854	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@H]2CCCO[C@H]21	1897140814	YIBUBZTULMUSIZ-IWSPIJDZSA-N	225.053	-0.904	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)C[C@H]1CO	1897664818	GHHLHOKWEIFNOD-JGVFFNPUSA-N	247.678	-0.348	50	10	BBGE	
C[C@H](O)CCCN(C)C[C@H]1C[C@H]1C(=O)NN	1899927601	RPMXTPHCJJVXLV-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@@H](F)C1	1900258249	JKYAZLROBUAKRZ-YIZRAAEISA-N	233.287	-0.329	50	10	BBGE	
CCOCCOCCOC[C@H](C)C(=O)NN	1901435421	HHFZHNFCMPBFCC-VIFPVBQESA-N	234.296	-0.318	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H]1C[C@@H](O)CN1	1901997557	NDBZZWUEHRNQIV-NXEZZACHSA-N	229.324	-0.138	50	10	BBGE	
OB(O)c1csc(CN2CCC(F)(F)C2)n1	1902637622	ODNRJEFLKUTYNB-UHFFFAOYSA-N	248.063	-0.336	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC[C@@H](F)C2)O1	1909806409	WQDJIWBLZMZACC-UTLUCORTSA-N	245.298	-0.042	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)CCOCC(=O)NN)O1	1910035084	PHFPOXWBMVFJGH-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)S(=O)(=O)C1CC1	1913796557	SCNQRVLPDJVTCF-UHFFFAOYSA-N	247.320	-0.820	50	10	BBGE	
CON1CCN([C@@H](C)CCC(=O)NN)CC1	1915710789	NEOFOSNXZJSLBW-VIFPVBQESA-N	230.312	-0.676	50	10	BBGE	
C[C@@H](CN1C[C@@]2(C)C[C@H]1CO2)C(=O)NN	1927930125	IHUBBHJUEANKQF-OYNCUSHFSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](Cl)C1CN(C(=O)Cn2cnnn2)C1	1928699035	VSZKBFRFRNHHOR-ZCFIWIBFSA-N	229.671	-0.241	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1[C@H](C)C(=O)NN	1929659125	JDQUIBBMLCTZLH-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCN(C)CC(=O)NN	1935344044	QWPWGYSOFFNNEU-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1OCCO[C@H]1CN1CC(=O)OC(=O)C1	1935555936	GQDSKKLSHDUDTK-SFYZADRCSA-N	229.232	-0.824	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H](F)C1	1936025889	HIZKTMZRJSWJCA-HRDYMLBCSA-N	233.287	-0.594	50	10	BBGE	
CC[C@H](CS(C)(=O)=O)N1CC(=O)OC(=O)C1	1937023892	YBISUXSUSVUTAG-SSDOTTSWSA-N	249.288	-0.805	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C(F)(F)F	1938547965	PBVGRBUCCOGPHB-NTSWFWBYSA-N	243.229	-0.126	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@H](Cl)C(=O)O)C[C@H]21	1939088045	MHSBNUUZJUUUMJ-DJLDLDEBSA-N	248.710	-0.307	50	10	BBGE	
CN(Cc1cnn(C)c1)CC(F)(F)C(=O)NN	1940868270	SSKDXOTXIALZQA-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2CC[C@@H](O2)C1=O	1941091044	UHURDFCRYCRDCH-XSPKLOCKSA-N	239.275	-0.998	50	10	BBGE	
CC(C)OCCCN(C)CCOCC(=O)NN	1941773524	ZSGFKHSSWQCEPB-UHFFFAOYSA-N	247.339	-0.260	50	10	BBGE	
CCN(C)CCOc1cc(F)ccc1B(O)O	1943943727	BDDBAIKOVXFUIV-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CCCC2)CC1	1945882833	OFNZKVHBNYNOTD-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CO[C@H](CCS(C)(=O)=O)CN=C=O	1951404677	GPXXLOUPKMVFDC-SSDOTTSWSA-N	207.251	-0.228	50	10	BBGE	
Cc1ocnc1C(=O)NNC(N)=S	1954485615	NBTMJDGCNXFKJF-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](C)[C@@H](O)CO	1954512713	KBFMBGQKGQFNIG-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)cn2)C1	1957983070	XUROOKKWMYAVPN-DTWKUNHWSA-N	208.070	-0.001	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC2(CC2)C1	1960944129	MDWCTIYLNFWSQU-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CO[C@@H](CCCl)CNCc1nnnn1C	1960986253	QCZLTVLIIPJOJA-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
NCCOCCSC[C@@H]1C[C@H]1C(=O)NN	1961087048	MDNGPTITGDWICA-JGVFFNPUSA-N	233.337	-0.679	50	10	BBGE	
CCCN(OC)c1ccncc1B(O)O	1961675176	FQMMEBHYKXRUHG-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
COC[C@@H](OC)C(=O)N1CCC(B(O)O)CC1	1964499767	CHWLUQPUZWIJJD-SECBINFHSA-N	245.084	-0.887	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C[C@@H](C)C(=O)NN)CO1	1975825585	BPOFPLNNZHLGBM-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
O=C(c1cnn[nH]1)N1C[C@H](Cl)[C@H]2COC[C@@H]21	1975954268	XWQFREMNOAZDRY-CHKWXVPMSA-N	242.666	-0.117	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)CC12CC2)C(=O)NN	1980718097	DIEOMIFLURAWKY-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CCN(C)C[C@@H]1CCN([C@@H](C)C(=O)NN)C1	1980792038	ZMQXCECZOKKZRN-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CN(CC1CCC1)c1ncncc1B(O)O	1981413694	JQOZIMZPTRYRMM-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
CC(C)N1[C@@H](C)CN(CC(=O)NN)C[C@H]1C	1987293287	GBQJYBHLQKTIGI-AOOOYVTPSA-N	228.340	-0.221	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1[C@@H](C)CCC(=O)NN	1990041548	STTVTGIUDULLED-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C(F)(F)F)C1	1990775757	ZWBMGMATMOIJSV-UHFFFAOYSA-N	239.197	-0.352	50	10	BBGE	
COCCOC(=O)N[C@H]1CCC=C1B(O)O	1991326054	CHHSYOIECALGDY-QMMMGPOBSA-N	229.041	-0.540	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@]2(CO)C1	1997171117	RQWLLAXCUJNBAE-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1[C@@H]2CC[C@@H]12	1997532462	GYHFEJDUUFRNJT-HTQZYQBOSA-N	232.048	-0.644	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H](C[C@H]2O)C1	1999846628	JEOJXFGZBDUZON-GJMOJQLCSA-N	249.261	-0.686	50	10	BBGE	
Cc1cc(CN(C)CCOCC(=O)NN)no1	2004445696	GHLSUBHMGWLFRW-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1C(F)(F)F	2004918745	PGDHUSJRHCPZLY-ZCFIWIBFSA-N	246.985	-0.703	50	10	BBGE	
CCN(CC(C)C)c1ncnc(C)c1B(O)O	2004972248	CEDTVYBSFSANMJ-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@H](C)N(C)C	2006998714	BEBUSKMABFHIHO-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@@H]1CC1(F)F	2008839919	DUCDUOANUCQKIA-SSDOTTSWSA-N	243.018	-0.427	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1OCC[C@@H]1F	2009181247	IXGOGCCDYGLDQF-ONGXEEELSA-N	240.039	-0.128	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CCO[C@@H]2C1	2012776642	WQGZTECYJANAOK-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1ccc(B(O)O)cn1	2016811743	GYWNXVCEWZUEJD-DTWKUNHWSA-N	238.071	-0.197	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C(C(F)F)[C@@H]2C1	2017291047	BZVWQMPVACJOII-FSDSQADBSA-N	249.261	-0.566	50	10	BBGE	
C=C(CN(C)C[C@@H]1CO[C@H]2COC[C@@H]12)B(O)O	2021158010	VLMZAGRLWKERQJ-VWYCJHECSA-N	241.096	-0.852	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]23CNC[C@@H]2COC3)CC1	2042770700	PXXZDFHEZFOSLH-DGCLKSJQSA-N	247.298	-0.095	50	10	BBGE	
CCc1cc(CC)n(-c2ncc(B(O)O)cn2)n1	2052596989	GBOFXEKGTKMECV-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
CCOc1cnn(-c2ccc(B(O)O)c(C)n2)c1	2052597254	OTDOSPCPQFBDHO-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(B(O)O)c1	2053736882	UUZODIDJGCLNKU-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1[C@H]2CCCC[C@H]21	2058156254	RWHDQTJFUGEPIK-URLYPYJESA-N	247.103	-0.036	50	10	BBGE	
CCc1c(OC)ccc(OC)c1B(O)O	2060055178	NUUCJPBINKZITM-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
COC12CC(C1)N(Cc1ccc(B(O)O)cc1)C2	2065706128	UPWVRUKOABZKSD-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]1C2	2069295904	PPSCUUCYYUFKJF-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2070844455	SDRYSTMBQKXCMY-QDLNKLSUSA-N	245.091	-0.753	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccccc1B(O)O	2079010051	MGEIVIZIPLRFBE-VIFPVBQESA-N	246.075	-0.212	50	10	BBGE	
C[C@H]1C[C@H](F)CN1Cc1nscc1B(O)O	2211136009	NVZRYRXCAICFAZ-BQBZGAKWSA-N	244.100	-0.245	50	10	BBGE	
OB(O)c1csnc1COC1CCOCC1	2211138085	PEPXMPIYSYWEPG-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1	2211150167	CNADQEJMAJSCBE-SVSWQMSJSA-N	244.722	-0.348	50	10	BBGE	
C[C@@H](CN(C)C)Nc1ccc(B(O)O)cn1	2212604831	ZOVMIHVPFIYWBM-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3C[C@@H]3C2)c1	2212606372	SNANEFOZVPOPNV-MBTKJCJQSA-N	219.049	-0.061	50	10	BBGE	
C=C[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2212611726	CKGTYQNOADPLAT-SECBINFHSA-N	218.065	-0.226	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H](CCO)C1	2215778278	YHOOEJJLTNYIAG-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@@H]3C2)CCC1	2216527742	GZLAIJBEYHVDQQ-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Oc1ccc(B(O)O)cn1	2217172667	LPAFOEXVWXTSEH-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
Cc1nc(CNc2ccc(B(O)O)cn2)co1	2217177422	IVAJEERNNGQBLG-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2217179207	HYYGYIHFRMHGOW-BBVRLYRLSA-N	240.043	-0.918	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cn[nH]c1	2217179469	LAKMNIYBNGNUDN-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
Cc1cnc(O[C@H](C)CN(C)C)cc1B(O)O	2217182793	GYBJMVCZZUDSTC-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
CC(C)[C@@H](Oc1ccc(B(O)O)cn1)[C@H](C)N	2217183105	FPYHGFYQCXKZCC-GZMMTYOYSA-N	238.096	-0.488	50	10	BBGE	
CCN(CCCCO)c1ncccc1B(O)O	2217195347	IWZGPYGFELAAPW-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
COC[C@H](Oc1cc(B(O)O)ccn1)C(C)C	2217196770	UPELPJJEXLVSMG-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
CC(C)[C@@H](O)CN(C)c1cc(B(O)O)ccn1	2217203375	UCVOKEKGAVHFMS-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCC1CC(F)C1	2217411608	VVGWRUNDYQSZAE-UHFFFAOYSA-N	240.043	-0.939	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1ncon1	2220059961	UJXUOEQDLOELNH-UHFFFAOYSA-N	247.063	-0.619	50	10	BBGE	
CCN1CCN(Cc2cccc(B(O)O)c2)C1=O	2220063232	QMXLIQPXIHZDNY-UHFFFAOYSA-N	248.091	-0.376	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCn2ccnc2C1	2221565243	BSKCOUPMJVCRRT-ZJUUUORDSA-N	249.318	-0.285	50	10	BBGE	
C[C@]12CO[C@](CNc3ncc(B(O)O)cn3)(C1)C2	2223633909	CSULHOLQNIDAIY-PHIMTYICSA-N	249.079	-0.863	50	10	BBGE	
CN(C[C@H]1CCCCN1)c1cc(B(O)O)ccn1	2223634122	GMIXTWSRCVQGHQ-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N2CC(C)(N(C)C)C2)cc1B(O)O	2223642821	NTZHGQIWIQKCNV-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1c1ncccc1B(O)O	2223667709	USAFIZYWGAWGMP-MWLCHTKSSA-N	249.123	-0.533	50	10	BBGE	
N[C@@H]1CN(c2cc(B(O)O)ccn2)C2(CCC2)C1	2223670372	WXUJTZLQUWBTJM-JTQLQIEISA-N	247.107	-0.779	50	10	BBGE	
C[C@H](O)CN(CCN)C(=O)[C@@H]1C[C@H]1Cl	2241675817	JLQDNPPQAYPOTL-XLPZGREQSA-N	220.700	-0.218	50	10	BBGE	
CON(CC1CCC1)C(=O)C(=O)NN	2242156487	FNGNYIPCLOSJRV-UHFFFAOYSA-N	201.226	-0.834	50	10	BBGE	
C[C@H](O)C[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243348352	XBPDQCJUULTZSG-SFYZADRCSA-N	229.085	-0.341	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@@H]2CC[C@H]2C1	2243350361	ZUYQRTJFPBULDH-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)O1	2243356289	FGAGUBCZENWRCZ-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2243357524	XZBWRCIKDZORRQ-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
O=C(NCCC(F)F)c1occc1B(O)O	2243364547	YUSPOBBJEGSAFJ-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CCC1	2243366506	DDJKYRXZJZKGKC-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CCOC1	2243381141	CMCUBFIAYZUFEG-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](F)[C@H](F)C1	2243391630	MPYXSPYXCXNNSL-HYNHDVCUSA-N	233.023	-0.242	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243392070	QZPUQIVWDWKCSX-RNJXMRFFSA-N	227.069	-0.779	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2243407937	CPXWXPUZDZPZOL-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1nscc1B(O)O	2243410084	VFYFYKFFIXRAQU-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)[S@@](C)=O	2243413418	FYHFPRNZWNYJJV-DHTCHXOGSA-N	247.125	-0.877	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)sn1	2244146953	NFLOZGJHURAALO-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cocc1B(O)O	2244205095	FSGMAEGZZVFXCD-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
N[C@H]1CC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2244732568	HZGBDBMDWVPVEO-KHONBHQKSA-N	226.085	-0.907	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCOC(F)F	2246671510	LRQLRVCYSCIYIE-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2247737556	IBOUNOXXONJDFS-RDDDGLTNSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)CCCO[C@@H]1CNC(=O)C#CB(O)O	2247739746	AUCNBXCEEZAFNS-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2247743670	HJENZNVMSBKLLL-WRWORJQWSA-N	234.064	-0.824	50	10	BBGE	
O=C(N1CC2(CC2)C[C@H]1CO)C1(B(O)O)CC1	2247750460	JUNGJUIWBQLIBF-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
NC[C@H]1CCCCN(C(=O)C2(B(O)O)CC2)C1	2247753196	CRNQZOFJGWXCHQ-SECBINFHSA-N	240.112	-0.419	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ncccc1B(O)O	2247772508	VVFNRKBUWRZCQX-APPZFPTMSA-N	234.064	-0.758	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN2CCC[C@@H]2C1	2247806419	NAGWLRAWFBYVCS-BBBLOLIVSA-N	238.096	-0.844	50	10	BBGE	
O=C(NCCc1cn[nH]c1)[C@H]1C[C@H](B(O)O)C1	2247806907	OWJSISPWBATDTO-KYZUINATSA-N	237.068	-0.679	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2247810613	YTKGZDPAIZYZDA-PIAOCPBHSA-N	241.096	-0.223	50	10	BBGE	
COC[C@@H]1CN(C(=O)C#CB(O)O)CC1(C)C	2247851514	ZODYQOGNCIEPIP-VIFPVBQESA-N	239.080	-0.867	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2247852024	NSFSIVNXEZEGEG-UHFFFAOYSA-N	234.064	-0.544	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1occc1B(O)O	2247874087	IXVAMZPVKJKQRE-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ccnn1C	2247879003	OYAZKIXKUMSLGC-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
CNCCN(C(=O)C1CC(B(O)O)C1)C(C)C	2247893220	OEUYVFIZFHHRID-UHFFFAOYSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CC[C@@H]2O)C1	2247897771	WTCSPNNYNRCETC-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
C=C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247910067	MTTXYPINCKWZMY-RTBKNWGFSA-N	239.080	-0.347	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2248573691	IIEFUEUKNQXRCK-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)CC(=O)O	2248575153	YCPBZQAJICNLIR-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)CCCONC(=O)C1(B(O)O)CCC1	2248578482	RKOCGBFSCYOPBH-UHFFFAOYSA-N	245.040	-0.704	50	10	BBGE	
CC1([C@H](NC(=O)C2(B(O)O)CC2)C(=O)O)CC1	2248592925	HVMBHCAZKSUOGW-ZCFIWIBFSA-N	241.052	-0.637	50	10	BBGE	
C#CCNC(=O)c1cc(B(O)O)c(F)cc1C	2249385686	NSOJDCOXTDDXPR-UHFFFAOYSA-N	235.023	-0.823	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CC[C@H]21	2249427462	GSMYYYYFGKYNBY-OIBJUYFYSA-N	235.048	-0.416	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C[C@H]1C[C@@H]1C(=O)NN	2250964835	YFFYNHKHANRYTA-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
O=C(NCc1ccccn1)c1coc(B(O)O)c1	2255457066	XRCSNZLRIARVRO-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@@H](N)c1ccc(CNC(=O)C#CB(O)O)cc1	2255468533	CABSDTXPSQTXEE-SECBINFHSA-N	246.075	-0.662	50	10	BBGE	
CCn1cc(C(=O)N[C@@H]2C=CCC2)nc1B(O)O	2255473502	LAPYCZNPXQIGNQ-MRVPVSSYSA-N	249.079	-0.969	50	10	BBGE	
CC(C)=CCCNC(=O)c1ncc(B(O)O)cn1	2255477255	XIFOMCDIEKJRNQ-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nn1cccc1	2255512763	FMEKCDXMEBUUMC-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C=C(CCN)CNC(=O)c1cccc(B(O)O)c1	2255521561	XUSXMCFHUFDKIG-UHFFFAOYSA-N	248.091	-0.999	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)c[nH]1	2255673019	NLWROMKWILAWJG-UJNFCWOMSA-N	248.091	-0.387	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)cn2)CC1	2255717530	ZVJNFYVGDCEEIZ-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
N#CC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2255727967	YCUBCHKYGRWRGC-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccncc2B(O)O)C[C@H]1C	2255733241	IBPGAXHIBXEMPB-FYBVGQRMSA-N	248.091	-0.464	50	10	BBGE	
Cc1ccc(CNC(=O)c2occc2B(O)O)o1	2255737900	KZMLYWKLHFOIEU-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1O	2256015478	VMRADGGABZEFPC-QMMMGPOBSA-N	247.059	-0.929	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cc(B(O)O)co1	2258121475	PGOYAIVBKFGTPK-JEEPJHCNSA-N	247.059	-0.656	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1ccnnc1	2258137521	XKTYXABROXZBQQ-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369205	MNCYMOBXHPGLTQ-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369723	CHMMVPGBZOIIII-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C	2298377246	JQYRJMCKWFJHJC-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1CC(=O)NNC(C)=O	2299235863	ZENUWPKYYIHGFS-UWVGGRQHSA-N	241.291	-0.835	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cncnc2)C1	2303112343	RFPOQSIHJSFGKS-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
Cc1ccn(Nc2cc(B(O)O)c(F)cn2)c1	2303835437	XAVZWCWOVGOKBR-UHFFFAOYSA-N	235.027	-0.114	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c1B(O)O	2309538333	PNFORDZYPVXFQN-MMWGEVLESA-N	244.103	-0.086	50	10	BBGE	
O=C(c1occc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2	2312849216	LADDPISTHQRONL-BDAKNGLRSA-N	247.059	-0.108	50	10	BBGE	
C[C@@H](O)CCN(C)c1ccc(B(O)O)cc1C#N	2317152000	XCLCGNRERZDSNO-SECBINFHSA-N	248.091	-0.555	50	10	BBGE	
CCC1(Oc2ccc(C=O)c(B(O)O)c2)CNC1	2317350079	NBZRXNBEKXDMFH-UHFFFAOYSA-N	249.075	-0.690	50	10	BBGE	
NNC(=O)CCC(=O)NC[C@@H]1CCCO1	58840685	LAOKUQAJINPKFB-ZETCQYMHSA-N	215.253	-0.948	50	10	BBGE	
CCNC(=O)COc1ccc(C(=O)NN)cc1	66056671	HZWUEDPZUIEVEA-UHFFFAOYSA-N	237.259	-0.195	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC(C)(C)O	86275175	VADRKBAXAHLFJE-MRVPVSSYSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCS(=O)CC1	86313556	YGSKAJAEAGLQKS-JGVFFNPUSA-N	233.337	-0.935	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CCN1C	86597992	AFHIGYCIBBLZQP-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
O=C(NC1CC1)[C@H]1COCCN1C(=O)CCl	130242982	HDSNZBPAPVXTCL-MRVPVSSYSA-N	246.694	-0.269	50	10	BBGE	
C[C@H](CCl)C(=O)NCCNC(N)=O	132277151	HJZXBLGXKGABSF-RXMQYKEDSA-N	207.661	-0.354	50	10	BBGE	
CC[C@H]1COCCN1Cc1ccccc1B(O)O	199008993	DFZLCJSAKPODPC-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@@H](O)C1	216311212	KDETZPWKOQHKFQ-MNOVXSKESA-N	235.287	-0.216	50	10	BBGE	
CC(C)(NS(=O)(=O)CCCl)C(N)=O	232298794	RQXJKQRGPVUCGL-UHFFFAOYSA-N	228.701	-0.592	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOC(C)C	232420578	IDZIWJBYANARMJ-VIFPVBQESA-N	233.312	-0.652	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC[C@H](C(N)=O)C1	235467741	IIIREOHXGGJQQB-WDSKDSINSA-N	247.682	-0.343	50	10	BBGE	
CCOC(=O)N/N=C(\N)C(=O)OCC	238265658	IPDVPMDMNQQKTO-UHFFFAOYSA-N	203.198	-0.432	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NNC(=O)OC(C)(C)C	238458870	DYPBFFCYHXXAFR-NTSWFWBYSA-N	233.268	-0.750	50	10	BBGE	
OB(O)c1cnc(-c2nccs2)nc1	238654331	RTZBXELTXVGXRQ-UHFFFAOYSA-N	207.023	-0.720	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1CCCO)C(=O)NN	251051865	APOVNCSPNQGEPD-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)[C@H](C)COC	251217536	LWYUHAKGMGXVTH-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
CN1CC[C@H](CNC(=O)CNC(=O)CCl)C1	258813225	VAVNBAVLVHPSIC-MRVPVSSYSA-N	247.726	-0.591	50	10	BBGE	
CN1CCC[C@H](C[C@H](N)C(=O)NN)C1	258998768	MMSNNZLMJZTVIT-SFYZADRCSA-N	200.286	-0.965	50	10	BBGE	
COC[C@H]1CCCN([C@H](COC)C(=O)NN)C1	300144190	XLGSIVQTFFZHRA-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CNC(=O)CS(=O)(=O)CCOCCCl	300826430	NTTTZPCGQPWCMO-UHFFFAOYSA-N	243.712	-0.597	50	10	BBGE	
Nc1csc2cc(O)c(B(O)O)cc12	307280054	YGCIVJBSCCILMD-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](O)CC1	307377259	WOTAHNQVYLHKAH-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
COc1cc(B(O)O)cc2ncsc12	307431170	LCCSPTCCOFQXHR-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
CC(=O)NNC(=O)CNC1(C2CC2)CC1	309084314	VEMCKAPJIWEERZ-UHFFFAOYSA-N	211.265	-0.314	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1C[C@H](C)O	310118690	AQUNJJJEZNIGIY-WCBMZHEXSA-N	243.307	-0.611	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@@H](C)CC1	380324166	IDWUSDZVYKSIHW-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
COC1CN(Cc2csc(C(=O)NN)n2)C1	380729991	QCARBWLAGKHIMP-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@H]1O	388709911	YKMIUCRFXOCPFV-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
Nc1c(CO)ccc2sc(B(O)O)cc12	396247721	PVTDGQTYBCRPKW-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)[C@H](C)CC(=O)NN	400003005	ZNSGNBUHLKDCBJ-KUTMEBCESA-N	235.353	-0.546	50	10	BBGE	
C[C@H](CO)CN(C)Cc1cc(C(=O)NN)no1	688395388	OKJXZXDVNZWMKM-ZETCQYMHSA-N	242.279	-0.662	50	10	BBGE	
COC[C@H](COCC(C)(C)C(=O)NN)OC	695710666	PZGPKJJQHKSQLY-MRVPVSSYSA-N	234.296	-0.320	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(N2CCCC2)C1	697800349	KJRBTFNORDJOBL-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2ccn(C)n2)c1	699671091	QBKCYTGTCLQKBO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CCO[C@@H]1CCN([C@H](COC)C(=O)NN)C1	706445997	GPTPNFGRYILTSR-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)C(=O)NN)C1	706528840	ZPMGFVDDLGUPBK-SSDOTTSWSA-N	215.253	-0.998	50	10	BBGE	
CCC1(O)CCN(CC(=O)NN)CC1	707233289	ZYEQGIFPLLPAOF-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CCCS(=O)(=O)N[C@H](C)C(=O)N(C)N	707522763	LFNRYJFMWPDPTQ-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
CC(C)C(=O)N1CCc2c(B(O)O)cccc21	712220088	OIVWFAYJDNSEBF-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3C[C@@H]3C2=O)on1	715703121	PBCGMDWYOJUQRD-FSPLSTOPSA-N	236.231	-0.744	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21)C1CC1	780321059	UXCVLZULTYBJKP-DJLDLDEBSA-N	224.260	-0.031	50	10	BBGE	
Cn1cc(C(=O)NN=C[C@H]2CCCOC2)nn1	853382871	MQADTKHZPZFYIZ-MRVPVSSYSA-N	237.263	-0.043	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)c1cn(C)nn1	855184137	RMMVRMWWAQSUBY-ALCCZGGFSA-N	237.263	-0.068	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H](O)[C@@H]1CCCO1	859287604	NNXXETHLGRROFA-RQJHMYQMSA-N	243.712	-0.358	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CC[C@H]1C(N)=O	862500505	QBRQUKXQOBFTEY-BDAKNGLRSA-N	248.286	-0.233	50	10	BBGE	
CS/C=C\C(=O)NNC(=O)c1cn(C)nn1	1261748307	JIXRFWPZHRPBLN-ARJAWSKDSA-N	241.276	-0.547	50	10	BBGE	
C[C@H]1OCC(=NNC(=O)CCO)[C@H]1C	1326446996	RWGWJFQPYKMCLJ-NKWVEPMBSA-N	200.238	-0.104	50	10	BBGE	
CC(=O)NNC(=O)[C@@]1(C)CCCS1(=O)=O	1334873565	LNWBMVDRNPAKJS-MRVPVSSYSA-N	234.277	-0.879	50	10	BBGE	
CO[C@@H](C)CCC(=O)NNC(=O)c1ncon1	1536937323	GYLBOGBBZNEEBD-LURJTMIESA-N	242.235	-0.354	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1	1542100165	UMLFDGBADSLERV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(NNc1ccncn1)c1nsnc1O	1569313831	NOZPPOBGFOBLHT-UHFFFAOYSA-N	238.232	-0.209	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCNC(=O)CC1	1570738700	LJWPGAFTMYNOEI-DTWKUNHWSA-N	243.307	-0.754	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cn[nH]c1	1587135744	VBWOIHGNHYMJCN-BWVDBABLSA-N	248.242	-0.604	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cn1nccc1N	1623762854	VOUQOBQUBBIUQZ-UHFFFAOYSA-N	240.267	-0.842	50	10	BBGE	
CN1C[C@H](N(C)C(=O)CCl)CC1=O	1882873146	HIVKRQBQIVKZMB-ZCFIWIBFSA-N	204.657	-0.086	50	10	BBGE	
O=C(NNCCO)c1cc(Br)n[nH]1	1883052988	USADSTDEGXKFFA-UHFFFAOYSA-N	249.068	-0.601	50	10	BBGE	
OCC1(CO)C[C@@H](O)[C@H](NC2CC(Cl)C2)C1	1898077343	YJADRSBMRNTXMJ-YDYPAMBWSA-N	249.738	-0.160	50	10	BBGE	
CN(NC(=O)[C@@]12CC[C@H]1CCN2)S(C)(=O)=O	1901377207	LGHWQPFHFHTLQU-IONNQARKSA-N	247.320	-0.949	50	10	BBGE	
CN(NC(=O)[C@H]1CCCC[C@@H]1N)S(C)(=O)=O	1901377382	NNLGGOBDPPPEEL-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1CCNC1	1901377851	UAILSFSURXDZCT-MRVPVSSYSA-N	249.336	-0.703	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC2[C@@H]3COC[C@@H]23)C1	1902516215	RBTPXQPFTLAOTB-DCAQKATOSA-N	225.097	-0.182	50	10	BBGE	
CC[C@](C)(CN(CCO)C1CC1)C(=O)NN	1902709126	KWGMDALOTUUDDE-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCCC(=O)NN	1914252830	ALAMIRKDIFOKLF-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]12CCOC2	1915574149	WXYACXULFKGCJC-GXSJLCMTSA-N	227.308	-0.134	50	10	BBGE	
CCNC(=S)NNC(=O)CC1OCCO1	1923555877	WFZRLMCJZROZNK-UHFFFAOYSA-N	233.293	-0.735	50	10	BBGE	
C[C@@H](C(N)=O)N1C[C@@](C)(CCl)C1=O	1931734020	UFNYPMYNFOXNMD-YLWLKBPMSA-N	204.657	-0.053	50	10	BBGE	
C[C@@]1(C#N)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092463	XQGMVNRMMCWLAY-NGZCFLSTSA-N	222.292	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(OC(F)F)C1	1936094416	MVEIGSGUUKTGDH-IYSWYEEDSA-N	235.234	-0.464	50	10	BBGE	
COc1ccc(B(O)O)c(CN(C)OC)c1	1937140725	JIGMTKWZUXPKGL-UHFFFAOYSA-N	225.053	-0.632	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1C(=O)N(C)C	1940292281	VCCIHFBJKKTGSN-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2COC[C@@H]21	1941772973	PZPHRKVUIZIXFE-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)c1coc(CO[C@@H]2CCCOC2)n1	1947169188	NCLQNDRUNYBRAR-SSDOTTSWSA-N	241.247	-0.026	50	10	BBGE	
CON(C(=O)C(=O)NN)C1CCCC1	1956240728	ZTLCBLKGNJOJJG-UHFFFAOYSA-N	201.226	-0.691	50	10	BBGE	
OB(O)c1cnn([C@H]2CCC(F)(F)C2)c1	1959860775	KWHRDRGQMLHVHS-ZETCQYMHSA-N	215.996	-0.077	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cccc(B(O)O)c1	1969586435	UIOKFIXMOCZEOK-KWQFWETISA-N	233.076	-0.153	50	10	BBGE	
C[C@@H]1CC[C@H](CCn2ccc(B(O)O)n2)O1	1977037369	AMSYFBPNNKKPBK-RKDXNWHRSA-N	224.069	-0.480	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(=O)NN)C[C@@H](C)N1C	1979536665	BZIAEBLRDADUHF-ILWJIGKKSA-N	228.340	-0.221	50	10	BBGE	
CSCCN1CCN(CCC(=O)NN)CC1	1981083013	OTMWXCYFSBULQB-UHFFFAOYSA-N	246.380	-0.653	50	10	BBGE	
CCON(c1ccc(B(O)O)cn1)C(C)C	1981413316	FJZQXRMLRXDGJI-UHFFFAOYSA-N	224.069	-0.072	50	10	BBGE	
C[C@H]1CCCN(c2ccncc2B(O)O)C1	1981426280	NDDSSSOEQPQDSY-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
CCC1CN(c2nc(C)ncc2B(O)O)C1	1981469018	LEJMNECKLPIEDU-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCCCC(=O)NN	1982047002	OWMGABMGZOXKCJ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)[C@H]1C	1990774383	IECRWJCGCHEOSX-CBAPKCEASA-N	229.280	-0.737	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCC=CB(O)O)CCO1	1991328412	FIINWCGEMBDTBX-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
NCc1cn(CC(=O)NC[C@H]2C[C@H]2Cl)nn1	1991444294	ZGLXHUYMNFRJPB-HTRCEHHLSA-N	243.698	-0.520	50	10	BBGE	
CN1CCO[C@@H](CNC(=O)C=CC(=O)Cl)C1	1991662600	MJMJQUFBXBPXHO-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(N2CCNCC2)C1	1991680471	QRCSAOOKMBHUMX-VHSXEESVSA-N	243.738	-0.270	50	10	BBGE	
O=C(NCC1(C(=O)O)CC(O)C1)[C@@H]1C[C@H]1Cl	1991683018	PFGCSSPPQGBKSF-ZBFMHRLGSA-N	247.678	-0.044	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](C(F)(F)CO)C1	1991991097	BLLDVEDABPCQDF-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1	1992375365	VAIWGPKNGZSOKB-YNFQOJQRSA-N	225.292	-0.239	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@@H]2[C@H]1CCl	1992526081	CMVHXCJJRDPXKG-BIIVOSGPSA-N	241.682	-0.241	50	10	BBGE	
CN1CC[C@H]2CCN(CCCC(=O)NN)C[C@H]21	1996608364	NCHSAWJJPPRDMI-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CN(C)C1CC2(C1)CN(CCCC(=O)NN)C2	2000466986	UEOCLFYQMSQINI-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(CN1[C@H](CO)[C@H]2CC[C@@H]1C2)C(=O)NN	2008978725	BFOAGMVOPCNCJG-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CN(C)NC(=O)C12C3C4C1C1C2C3C41C(=O)O	2009402729	SPULDFHXXGSYLY-UHFFFAOYSA-N	234.255	-0.598	50	10	BBGE	
COC12CC(C1)N(c1ccncc1B(O)O)C2	2013072755	YVHSGDPCYOQVGO-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C)NC(=O)C1(C)C	2013376007	NNQUCSLRULTYCY-YUMQZZPRSA-N	242.323	-0.646	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	2016208299	UEGSSFQPNNSVRL-KJFVXYAMSA-N	245.298	-0.309	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@H]1CCCO1	2019209957	LTDDFCJAHBIDSL-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
C[C@@H]1CC(C(=O)NCC=CB(O)O)C[C@@H](C)O1	2020061403	HAEQMFXPKICGJI-RKDXNWHRSA-N	241.096	-0.126	50	10	BBGE	
OB(O)c1cc(F)ccc1COC[C@H]1CCO1	2025712789	KGEHGWOGGVZZBH-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1CC1(C(=O)NN)CC1	2033728212	RPWNAFGMTBQBIQ-UHFFFAOYSA-N	246.270	-0.202	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC[C@@H]2C[C@@H]21	2040236291	OJZFLGVNYHMVLQ-QNSHHTMESA-N	246.075	-0.254	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@@H]1N(C)C	2052498790	JSWITHTVYSFIPI-SKDRFNHKSA-N	249.123	-0.852	50	10	BBGE	
N#Cc1cc(B(O)O)c(C=O)cc1Cl	2060091516	CAECKVCEIPAHAA-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(OC)c(B(O)O)cc1C#N	2060290822	FYGQMSNJTMNPFQ-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
COc1c(C)cc([N+](=O)[O-])cc1B(O)O	2060379593	GCLVMZLPALPYLJ-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
COC(=O)c1c(F)cc(B(O)O)cc1Cl	2060432377	ZHADTDMXMCODJF-UHFFFAOYSA-N	232.403	-0.055	50	10	BBGE	
C[C@H]1OC2(COc3cncc(B(O)O)c3)CC1C2	2068636214	AMFDBJHWXAVZNK-YDNLMGDJSA-N	249.075	-0.292	50	10	BBGE	
CN(CCOCc1ccccc1B(O)O)C1CC1	2080346482	LHJUUMRGNRSHRC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](C(F)F)N(C)c1cc(B(O)O)ccn1	2212601453	OCWKQGVWCGRJNA-ZCFIWIBFSA-N	230.023	-0.149	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1ncccc1B(O)O	2212606499	VFBVOXZRAFRCTE-YUMQZZPRSA-N	224.069	-0.403	50	10	BBGE	
CN1CCC(COC[C@H]2C[C@@H]2C(=O)NN)CC1	2214843317	NPXJOCMPEBCHLA-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H](F)C1CCC1	2215254090	DBQIWIGOHNWFLY-NKWVEPMBSA-N	247.031	-0.833	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccc([N+](=O)[O-])n1	2215770165	AIBHCFHETYMEPB-BQBZGAKWSA-N	239.235	-0.193	50	10	BBGE	
CN1CCCN(C[C@@H]2CC[C@H]2C(=O)NN)CC1	2215776267	LTRIZQNYVTVBLP-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@H](F)C2)CCC1	2216530664	RJEGBTYXOCZEMB-RKDXNWHRSA-N	245.298	-0.449	50	10	BBGE	
NCC1(CNc2ccc(B(O)O)cn2)CCC1	2217173447	QZEZKRMECYDDCA-UHFFFAOYSA-N	235.096	-0.698	50	10	BBGE	
N[C@H](COc1ncccc1B(O)O)CC(F)F	2217184299	OFSVGEYKEYVKID-LURJTMIESA-N	246.022	-0.877	50	10	BBGE	
CCCOCCCOc1cc(B(O)O)ccn1	2217190148	BIVAMISKEZLMGI-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
CO[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217196344	QXDJXDUMQUUDBN-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)C[C@H]1O	2220060668	YOTUWGLRWOJZSI-GXFFZTMASA-N	249.119	-0.431	50	10	BBGE	
CC[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1O	2220060972	BJEQNLXPBQUASD-DGCLKSJQSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CCN[C@H]3C2)c1	2220063332	LGOVNUGQGYLQID-AAEUAGOBSA-N	246.119	-0.840	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(n2ccnc2)C1	2221570499	BEDBYVCSROKQCW-KOLCDFICSA-N	249.318	-0.244	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CC2(CC2)CN1	2223618390	QPZVCKLPWDDPQA-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CC[C@@H](CNC2)C3)c1	2223633609	YQCLLUNCWNDOQZ-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncn(C)n1	2223637701	RPTHIBHXJAGEQD-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
CN1CCCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223669398	JGFMOXMZOCQXGA-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
CC1(O)CN(S(=O)(=O)N2CC(Cl)C2)C1	2241338280	JLWXZSVXNFVTDY-UHFFFAOYSA-N	240.712	-0.779	50	10	BBGE	
C#CCONS(=O)(=O)N1CC(Cl)C1	2241354346	WSPRHSDIGPBZSF-UHFFFAOYSA-N	224.669	-0.691	50	10	BBGE	
CN(O)C(=O)c1cc(B(O)O)c(Cl)s1	2241481451	UZWUUMOKJRFGFR-UHFFFAOYSA-N	235.457	-0.458	50	10	BBGE	
O=C(O)CSC[C@@H](NC(=O)F)C(=O)O	2242112980	OFFIGQTZVYXLSW-GSVOUGTGSA-N	225.197	-0.064	50	10	BBGE	
CCN(O)C(=O)c1cc(Cl)cc(B(O)O)c1	2243366532	DMCRSVBBHRVXQK-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CCN(O)C(=O)c1cccc(F)c1B(O)O	2243408326	LDESMINPPVQYJJ-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
C[C@H]1CCN(C(=O)c2nscc2B(O)O)C1	2243409637	MAMBQALIBSNSJO-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
O=C(NC[C@H]1CCOC1)C1(B(O)O)CCC1	2243411561	WJGDOENTAJBKMA-MRVPVSSYSA-N	227.069	-0.464	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243427022	PAVKTGOMEQCBKH-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
O=C(Nc1cnccn1)c1occc1B(O)O	2247753753	CADRFVMNRKRJFQ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1cccc(C(=O)NOC(C)C)c1B(O)O	2247762000	YVFTZHOUQCEIAU-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785179	GZPXQKPJGVHOAO-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
O=C1[C@H]2CC[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787188	LZIILFPTCUURJP-HXFLIBJXSA-N	237.064	-0.366	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791001	KMPCCLXRTIFHRK-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
CO[C@H]1CCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247796660	BSZKZKUEKMFCMZ-QLEHZGMVSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247798848	XRXUAOMYCIYKMF-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)CNC[C@H]1NC(=O)C1CC(B(O)O)C1	2247798936	YMDRUCZBHZHCPP-AMDVSUOASA-N	240.112	-0.646	50	10	BBGE	
CCC[C@@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247809077	NMMZCSYTCFZDOM-FXPVBKGRSA-N	243.112	-0.093	50	10	BBGE	
CCC(CC)(CN)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247810068	ULTRSTRPCCQVEA-RKDXNWHRSA-N	242.128	-0.175	50	10	BBGE	
O=C(N[C@@H]1CC[C@]12CCCO2)[C@@H]1C[C@@H]1B(O)O	2247810084	UPSDQAITGDVIIC-PKIKSRDPSA-N	239.080	-0.323	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1occc1B(O)O	2247878513	KXOGBJPFHKJABP-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247887007	JBSXKQLYXBZMLU-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CC(F)F)C1COC1	2247887469	OMPLJNANUVBNCG-NKWVEPMBSA-N	249.022	-0.658	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)[C@H]1C[C@H](B(O)O)C1	2247894846	LMQPACWUBJQENO-GUBZILKMSA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1CN2)[C@H]1C[C@H](B(O)O)C1	2247895071	NUJRCFHLYCJZGS-WLRJLXCNSA-N	238.096	-0.894	50	10	BBGE	
CCN(CC)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898493	FATIDXXGOGTEIE-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
Cc1nn(C)c(C(=O)OC(C)(C)C)c1B(O)O	2247973633	DKIUUQNVSISERY-UHFFFAOYSA-N	240.068	-0.636	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)C1(B(O)O)CC1	2248579947	UGJWRFFETPHKIV-RITPCOANSA-N	245.015	-0.983	50	10	BBGE	
CCCC1(Oc2ncc(B(O)O)cn2)COC1	2250815516	OSKDDENHUMYYAH-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CCC1	2251031829	YJXGBTJEVDIFEV-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C=C1CC(N)(COc2cc(B(O)O)c(C)cn2)C1	2254176635	JHQOJLBNCHSYHW-UHFFFAOYSA-N	248.091	-0.504	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cccc(F)c1B(O)O	2255501746	DGMKVECZINZBOR-MRVPVSSYSA-N	249.050	-0.046	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(F)cc1B(O)O	2255503493	LHUVGFIUFIARCT-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
CC[C@@H](NC(=O)c1ncccc1B(O)O)C1CC1	2255515518	ZAORIEALVMLYGF-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1CN(C(=O)c2ncccc2B(O)O)C[C@@H]1C	2255516360	KXLZIJUMQZWTDQ-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1n[nH]cc1B(O)O	2255548544	BIFCXMUNIDIAPQ-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
C[C@@]1(NC(=O)c2c[nH]nc2B(O)O)C=CCCC1	2255550282	KVTXERHXTKXDMR-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
O=C(N[C@H]1CCC12CCC2)c1c[nH]nc1B(O)O	2255555001	UXRRLJDAQCFPKH-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
Cc1cc(C(=O)N2O[C@H]3C=C[C@H]2C3)oc1B(O)O	2255574470	BLPXVQHBCWGDRC-YUMQZZPRSA-N	249.031	-0.648	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1ccc(B(O)O)o1	2255676487	RALOKGFEHVLFOU-IUCAKERBSA-N	249.075	-0.122	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cc(B(O)O)cn1C	2255717652	LZBZQCQCZUPLMN-JTQLQIEISA-N	248.091	-0.763	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2255738443	SSCYFUROKWQKKU-AZQAYCESSA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@@H]1CCn2ccnc2C1)[C@H]1C[C@H]1B(O)O	2255773392	MCSUWWIGBQLCBI-HRDYMLBCSA-N	249.079	-0.823	50	10	BBGE	
CC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncc[nH]1	2298376112	IOBHDFWBWWIZJP-GJMOJQLCSA-N	237.068	-0.160	50	10	BBGE	
CC(C)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376203	MYHIMPAOKRKCFL-OPRDCNLKSA-N	240.112	-0.552	50	10	BBGE	
CN(C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376937	YNFDRQRRSWAXGW-OPRDCNLKSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCCNC(=O)C1	2302060763	PYGAKWJHRLQFJG-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCC(=O)NC2CC2)C1	2303099999	URVSOKIFPIOVSK-NSHDSACASA-N	240.112	-0.406	50	10	BBGE	
COCC[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303848085	TWXSFPNGWJJABQ-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H](C(F)(F)F)C1	2307528108	GQBNFAXBBAWDBU-KNVOCYPGSA-N	248.997	-0.294	50	10	BBGE	
CC(=O)N(C)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	2307926332	YYELYBKCWCAAQQ-HTQZYQBOSA-N	242.323	-0.837	50	10	BBGE	
CN[C@@H]1CN(c2ncccc2B(O)O)CC1(C)C	2314822385	QJNCWGSKIILOKZ-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1CC(O)C1	2317154752	OSXNTVPOHKJVCL-UHFFFAOYSA-N	246.075	-0.802	50	10	BBGE	
CCN(C)CCOc1ccc(B(O)O)cc1C#N	2317206531	OWLMOPSNQSFOCX-UHFFFAOYSA-N	248.091	-0.431	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@H]1C[C@@H]1N	2317211268	JTBUGLYNVTWXCQ-XROYCOCOSA-N	246.075	-0.647	50	10	BBGE	
COCCNC(=O)C(C#N)=CNCCN(C)C	2324627161	AXEHGLKWIWJFLH-UHFFFAOYSA-N	240.307	-0.692	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCS(N)(=O)=O	36745595	JZUQNCUXFACZJV-SCSAIBSYSA-N	214.674	-0.982	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@H](N)C1	70596891	OYHLCDWQVDDNIG-JTQLQIEISA-N	228.340	-0.040	50	10	BBGE	
Cc1cc(=O)[nH]c(SC[C@H](C)C(=O)NN)n1	82471978	WCAQWVIMERACME-YFKPBYRVSA-N	242.304	-0.204	50	10	BBGE	
COC[C@H](Cl)CNCCS(C)(=O)=O	83196315	MHPVIMZAHSVAAR-SSDOTTSWSA-N	229.729	-0.126	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnn(C)c1	93072171	YISSKUJQVOPJQL-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)cn2)C1=O	94764157	OTTVTYMVZOBLMR-UHFFFAOYSA-N	249.274	-0.448	50	10	BBGE	
C[C@@H]1CC(=O)N(Cc2cc(C(=O)NN)no2)C1	110603378	YZECXKGXANJCAQ-ZCFIWIBFSA-N	238.247	-0.354	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C[C@H](O)CCl	197498761	CPYOOCOYXCSORC-BDAKNGLRSA-N	224.732	-0.560	50	10	BBGE	
OB(O)c1cc(F)cc(Cn2cncn2)c1	211632232	PTXMDSWLHLKBGY-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
Cc1[nH]c(=O)c(C#N)c(C)c1CC(=O)NN	212558485	CIHMWGKJMGHESL-UHFFFAOYSA-N	220.232	-0.604	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](N)C1)C(=O)NN	216481535	YHXMAMICSUVDGG-JGVFFNPUSA-N	200.286	-0.965	50	10	BBGE	
CC(C)CNC(=O)/C(C#N)=C\NCCO	216528418	YOPCOCBHSDYPMY-CLFYSBASSA-N	211.265	-0.252	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](N)C1	219252855	IYWAXOJIUMDRCW-HTQZYQBOSA-N	200.286	-0.822	50	10	BBGE	
C=CCN(CC=C)[C@H](COC)C(=O)NN	232419176	LTVBRMCMJHAZRH-SECBINFHSA-N	213.281	-0.335	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)S[C@H](C)C1	232420295	ZPBNFDNOYOLBBH-HRDYMLBCSA-N	247.364	-0.183	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1C2	252431610	MQXXPLNZHTZYSF-JBDRJPRFSA-N	225.292	-0.083	50	10	BBGE	
C[C@H]1C[C@@H]2C(=O)N(CC(=O)NN)C(=O)[C@@H]2C1	253198094	ADGUIHZHDKVZNC-POBXSPIYSA-N	225.248	-0.993	50	10	BBGE	
CNNC(=O)[C@H](N)c1ccc2c(c1)OCO2	259008292	HLJKXOIQURHDAH-SECBINFHSA-N	223.232	-0.334	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cnoc1	306519665	JFAQUZOLIAZLMU-UHFFFAOYSA-N	205.195	-0.996	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOC[C@@H](Cl)C1	306745575	BHJCHWUJRLONOL-ZETCQYMHSA-N	242.728	-0.268	50	10	BBGE	
C[Si](OCCN)(OCCN)c1ccccc1	309187211	KPUVBZFABNFIMQ-UHFFFAOYSA-N	240.379	-0.084	50	10	BBGE	
CC(=O)NNC(=O)CNCc1cccnc1	309525491	AYJHYFWNXPXTNF-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
Cc1cn(CCCC(=O)NN)ccc1=O	379974381	QDKQTEGERORIFG-UHFFFAOYSA-N	209.249	-0.073	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](C(=O)NN)C(C)C	382050480	AGYBNCKTOPIYDT-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(CN(C)C)C1	382340312	JZSJLRKKKXQXEY-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CO2	387743689	QPANBZOWEBJXKW-LURQLKTLSA-N	213.281	-0.526	50	10	BBGE	
CC(=O)Cc1c(CC#N)cccc1B(O)O	396136838	JSNBQANAVDRGHM-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Cn1cncc1COc1cncc(B(O)O)c1	401803678	WUBWHCDZYMSCAE-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cc[nH]n1	405063686	SBRUEQZYDXUOFY-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CN(C)C(=O)N(C)Cc1cc(B(O)O)cs1	405071937	CDYQWVCZTCVRIQ-UHFFFAOYSA-N	242.109	-0.459	50	10	BBGE	
CCNC(=O)NCc1ccc(B(O)O)cc1	405074635	CUCSYQLYFOVXDB-UHFFFAOYSA-N	222.053	-0.815	50	10	BBGE	
CN(CCO)C(=O)C1=C=S=C(Cl)N1	642843614	OFONJTDSDNYMMU-UHFFFAOYSA-N	220.681	-0.615	50	10	BBGE	
CN(C)NC(=O)[C-]1C(Br)=C=NN1C	642858367	YPNZXNFVFULPQP-UHFFFAOYSA-N	246.088	-0.080	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(C(=O)C(=O)NN)C1	687218776	LVSJSFMJCGAPBR-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CCC[C@@H]1COC[C@H]1N(C)CC(=O)NN	688158540	GLPACEPGXGMBKU-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CO[C@@H](C2CC2)C1	691374333	XSLFEORJZWDWJC-HTQZYQBOSA-N	227.264	-0.998	50	10	BBGE	
CCS(=O)(=O)NCCNC(=O)OCCl	692884091	OJHLCOMREOORCS-UHFFFAOYSA-N	244.700	-0.152	50	10	BBGE	
CC(C)C[C@@H](OC1COC1)C(=O)NN	695050214	SSLDSJLPGZWGNR-MRVPVSSYSA-N	202.254	-0.194	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CCOCCO	695062428	QPOUJGYUICUPHN-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
COC[C@@H]1CCCN1[C@@H](C)CC(=O)NN	696548817	MBJGGYYWHMPEJP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
Cc1cc(C)n(CC(=O)NNC(N)=S)n1	700886112	AIESCXORPWHUFP-UHFFFAOYSA-N	227.293	-0.636	50	10	BBGE	
O=C(NCB(O)O)c1ccc(F)c([N+](=O)[O-])c1	701937912	HXEISKXVVHJBOH-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
COc1cncc(CN(C)[C@H](C)C(=O)NN)c1	704217753	HAUSBMWOIDIZFV-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3C[C@H]32)c1	707085049	GTGCKGVTDOQVDZ-ZYHUDNBSSA-N	217.077	-0.039	50	10	BBGE	
COCC1(N(C)CCCC(=O)NN)CC1	707147349	LRSRWGZAWOCCLG-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(n2cccn2)C1	707306565	PQANHEMEZHUEQP-JTQLQIEISA-N	237.307	-0.102	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](C)(CO)C1	708287748	VEXUHKFNZGINKI-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
CCCC(=O)NCc1ncc(B(O)O)s1	714700268	APOLGEHKNFXVHF-UHFFFAOYSA-N	228.082	-0.761	50	10	BBGE	
CO[C@]1(CNC(=O)NN)CCSC1	719312710	CWCGQKDVTACNSX-ZETCQYMHSA-N	205.283	-0.319	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([C@@H](C)O)C1	719809245	ZNWWRPFHGZWPDI-APPZFPTMSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCl)c1ccc2c(c1)=N[C@H](O)N=2	725593191	XODYGYGLQSLFDE-SECBINFHSA-N	210.620	-0.363	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)c1cccnc1	753444812	QLAIJMKWOQFKOT-MRVPVSSYSA-N	237.259	-0.285	50	10	BBGE	
CN1C[C@H](C(=O)NNC(=O)C(C)(C)C)NC1=O	822252828	PEDZWVLKDBVUSZ-ZCFIWIBFSA-N	242.279	-0.797	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)NC(C)C	824403786	BCGSGNWDORFCRO-SECBINFHSA-N	215.253	-0.338	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1	827016117	OWPITONIWVASFF-RNFRBKRXSA-N	224.220	-0.794	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)CO)O1	862890535	DWXTYLFRVDPDLS-HTQZYQBOSA-N	244.291	-0.280	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@@H](O)C(C)(C)O	907697093	GFBAAYOVKBNPEE-MRVPVSSYSA-N	239.275	-0.035	50	10	BBGE	
CN(NC(=O)CCC(N)=O)c1ccccn1	913000572	OAXUXDHEXJCIGW-UHFFFAOYSA-N	222.248	-0.186	50	10	BBGE	
Cc1nnc(NNC(=O)CCc2cn[nH]c2)n1C	1351716499	KKRNLPZWICNRBG-UHFFFAOYSA-N	249.278	-0.077	50	10	BBGE	
C[C@H](C(=O)NNc1nc[nH]n1)c1cnn(C)c1	1457838171	SLNHATNFTCQVQL-LURJTMIESA-N	235.251	-0.215	50	10	BBGE	
Cc1cccc(NNC(=O)c2n[nH]c(O)n2)n1	1611603855	AHHATZNCMGNLSM-UHFFFAOYSA-N	234.219	-0.029	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1cccnn1	1637052258	JDLGCBDFRCMODQ-UHFFFAOYSA-N	219.208	-0.720	50	10	BBGE	
CN1C[C@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1883555524	XSYRLSGSQAZFEB-XAVMHZPKSA-N	204.701	-0.122	50	10	BBGE	
CN(C)CCN[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1885010045	OQNJLCQEOKPXDA-JGVFFNPUSA-N	240.756	-0.458	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)CP(C)(C)=O	1886395718	LHLOQMBZFVYMTA-LURJTMIESA-N	207.214	-0.471	50	10	BBGE	
C=C[C@@H](C)OCc1nc(B(O)O)cs1	1891824189	UGFRIUVKAPHBDH-ZCFIWIBFSA-N	213.067	-0.086	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1C=CCNC1	1893410736	NEZUYSFTAUNMIX-SSDOTTSWSA-N	214.652	-0.048	50	10	BBGE	
C=C(CN(C)[C@@H](C)C[S@@](C)=O)B(O)O	1895237528	AZBIGBKSLVSVEC-RMLUDKJBSA-N	219.115	-0.747	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H]2[C@H]1CO	1896435062	LAFZHZZTBWTIGV-XLPZGREQSA-N	239.724	-0.132	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1O[C@H]2C=C[C@H]1CC2	1897312155	REOSIGTZXJAELJ-AATLWQCWSA-N	223.276	-0.053	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1F	1898819451	DNCKDYNKBITZLE-NGJRWZKOSA-N	231.032	-0.955	50	10	BBGE	
O=C(NC[C@H]1CCNC1=O)[C@@H]1C[C@@H]1Cl	1899577485	KMINAGDOJYPXKT-QYNIQEEDSA-N	216.668	-0.134	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2COC[C@@H]21	1901765527	VVYGVPNMNUYUTB-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
COc1cccc(NC(=O)C(=O)NN)c1C	1901895798	FCRGNDBRZDRXBY-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
CCC[C@H]1NC(=O)N([C@@H](C)CC(=O)NN)C1=O	1905535115	SJAHUXHTEFXLEA-NKWVEPMBSA-N	242.279	-0.525	50	10	BBGE	
O=C1C[C@H](NC(=O)CCCCl)C(=O)N1	1905559163	UBIDRMDSKZFBHO-YFKPBYRVSA-N	218.640	-0.463	50	10	BBGE	
CC[C@H](O)CN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	1908718072	CYGMYGHKDSISME-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1910146278	ANURZUFWMHIUJA-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@@H]1CO	1914010993	NMCLEBSGOXBCSJ-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)CCO	1917042753	HPIYPJGPQUZZFU-CIUDSAMLSA-N	217.313	-0.296	50	10	BBGE	
Cn1cc[nH]c(=NNC(=O)C(F)(F)F)c1=O	1923390599	QTYVUOOJZDJMLH-UHFFFAOYSA-N	236.153	-0.792	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCO1	1923407947	MHJDUZIOXUMFIH-VKHMYHEASA-N	212.127	-0.515	50	10	BBGE	
N#C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927913424	JBCWPDCZXYNGNE-YIZRAAEISA-N	208.265	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CO[C@@H](C2)C1	1932136417	UBZDQPRQAAZCPO-CIUDSAMLSA-N	213.281	-0.524	50	10	BBGE	
CC[C@@H](COC)CC(=O)NCB(O)O	1932160228	UQRAAYSLFBJEJC-SSDOTTSWSA-N	203.047	-0.823	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COC[C@H]1CCl	1937180096	LTJJSDGWNMXMOT-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
C[C@H]1COC[C@H](C)N1CC1(C(=O)NN)CC1	1938232387	JNMYKQOKNSNQDH-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCOC1(C)C	1938962149	ULKAROGQCDSUAX-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCN(C2CC2)C1=O	1941087717	CTIRFNZYBYVJEG-APPZFPTMSA-N	238.291	-0.488	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)CCOCC(=O)NN	1941772885	OWKRFQFUAZPCDL-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@H](B(O)O)C2)CCOC1	1951322034	QLOGYFABWKMSJP-WPRPVWTQSA-N	227.069	-0.512	50	10	BBGE	
COC(=O)C(C)(C)c1ccc(B(O)O)cc1	1951336339	LMKOTUUORJDUIP-UHFFFAOYSA-N	222.049	-0.183	50	10	BBGE	
CC[C@H](C#N)S(=O)(=O)NNC(C)=O	1954221044	ZJJHZPKAYHMJJB-ZCFIWIBFSA-N	205.239	-0.741	50	10	BBGE	
O=C(CCl)N[C@@H]1CCN(C2COC2)C1	1956735241	IEQKVFXTVZHQTN-SSDOTTSWSA-N	218.684	-0.186	50	10	BBGE	
CCc1ocnc1CN(C)CC(=O)NN	1958689235	DFNNTLXWQXXEDO-UHFFFAOYSA-N	212.253	-0.341	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CC[C@@H]1C2	1958759320	QPTDYWRCELMWIT-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](CS(=O)(=O)C(C)(C)C)NC(=O)NN	1961298787	YWSDHIWPXHSUMC-LURJTMIESA-N	237.325	-0.239	50	10	BBGE	
CC[C@H](Cl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1961463549	YEVDKURKHWJPJO-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)C1	1961691407	NZKPNGGELOINBN-QMMMGPOBSA-N	206.054	-0.392	50	10	BBGE	
CCN(CC)c1ncc(C)cc1B(O)O	1961719100	YKBNEEZIWDGXMP-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)C2COC2)CC1	1977020923	DJLIIWQPYGODCZ-JTQLQIEISA-N	221.260	-0.358	50	10	BBGE	
NNC(=O)N[C@H]1CCCN([C@H]2CCOC2)C1	1981607025	GBAJSIALTXQFIZ-IUCAKERBSA-N	228.296	-0.587	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@@H]1CCC(=O)NC1	1986182153	GPWFHHAXGPLQQA-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CCNC2=O)CC1	1986761738	PCBSUZLXCRFTSP-VIFPVBQESA-N	223.276	-0.527	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CC12CC2	1990776234	HVIXUMLLQWOTIU-VIFPVBQESA-N	225.292	-0.114	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@@H]2CO1	1991328881	HEFPWPDFIKRXCM-HLTSFMKQSA-N	225.053	-0.904	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CCCO1	1991337081	LRWKUVVIXKCEBS-DTWKUNHWSA-N	225.053	-0.618	50	10	BBGE	
CC(C)(CC(F)F)C(=O)NCC#CB(O)O	1992141191	RNBQTTBVJQPQMW-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
NNC(=O)C12COC(CSCCCO)(C1)C2	1993888958	KSMZRYOFCWKTMS-UHFFFAOYSA-N	246.332	-0.359	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]2COC[C@H](C2)C1	1995164830	RAOVSUABOPLAEJ-AYMMMOKOSA-N	227.069	-0.823	50	10	BBGE	
CC(C)(CN1CCC[C@](F)(CO)C1)C(=O)NN	1995926484	MTDMBQGLWCNDQY-LLVKDONJSA-N	247.314	-0.201	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]1C(F)(F)F	2004928982	HUCPHSNREUIWBP-ZETCQYMHSA-N	245.997	-0.098	50	10	BBGE	
CO[C@@H]1CCCN(c2ccncc2B(O)O)C1	2004935192	LJJLPDHIYXGSTF-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC1(C)C[C@H](Oc2ccc(B(O)O)cn2)CO1	2004950296	DIVWYLHVMJDCSF-VIFPVBQESA-N	237.064	-0.292	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@@H]3C2)c(F)c1	2005018728	XPBXDDISGVPLHL-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccccc1C(=O)NN	2011373879	RBMRKTXELIDAAX-KCJUWKMLSA-N	235.287	-0.145	50	10	BBGE	
CN(C[C@@]12CC[C@@](C)(C1)OC2)C(=O)C(=O)NN	2015956139	ZXOUOBGXFPIFTL-WDEREUQCSA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CO[C@@H]2CCOC2)O1	2018243043	OXJXXLDCVZEOHG-OPRDCNLKSA-N	244.291	-0.281	50	10	BBGE	
COc1cccc(NC(=O)C(=O)NN)c1OC	2020832329	QSDIJHCLMFQZAW-UHFFFAOYSA-N	239.231	-0.368	50	10	BBGE	
CC1(C)OC[C@@H](N)[C@@H]1N1CCC(O)(C#N)CC1	2023407987	ORSZNWZXJWJWMA-ZJUUUORDSA-N	239.319	-0.158	50	10	BBGE	
Cc1ncnc(C(=O)NCC=CB(O)O)c1C	2025800376	JTEKXWYLGDRIAX-UHFFFAOYSA-N	235.052	-0.609	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H](C#N)C2)n1	2050241010	DPXOBMPVZSUTDW-MRVPVSSYSA-N	248.290	-0.631	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@H]32)nc1	2051854127	PPUMAEFTCCOHNE-MNOVXSKESA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cccnc1-n1cnc(C2CCC2)n1	2052597771	LEFYPLNKVFLFMF-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
CC(C)Oc1cnn(-c2ncc(B(O)O)cn2)c1	2052602684	LUKWOQITCIHLEQ-UHFFFAOYSA-N	248.051	-0.871	50	10	BBGE	
N#CCN(CC#N)Cc1ccc(C(=O)NN)nc1	2056635496	QQQOJGVDMVHOHP-UHFFFAOYSA-N	244.258	-0.466	50	10	BBGE	
COc1cc(C(=O)N2CCCC2)ccc1B(O)O	2060343597	PMWPQXTYBSEKLR-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
O=C(NNCCO)c1cccc2[nH]ncc12	2211304636	SJHTWFPFUPHTHH-UHFFFAOYSA-N	220.232	-0.210	50	10	BBGE	
C[C@@H](O)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211827656	KTDPBMIXAUYWHJ-MRTMQBJTSA-N	227.308	-0.685	50	10	BBGE	
Cc1cnc(NC[C@H]2CCO2)cc1B(O)O	2212603824	JISSSXNMMFQQKA-MRVPVSSYSA-N	222.053	-0.729	50	10	BBGE	
CC[C@@H](O)CCNc1cc(B(O)O)ccn1	2212610603	LRCSSRIRYADJAP-SECBINFHSA-N	224.069	-0.666	50	10	BBGE	
N[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2214601652	ZFRGXZNOASYJPH-LBPRGKRZSA-N	234.108	-0.711	50	10	BBGE	
C[C@H](O)CN(C)CC1(C(=O)NN)CCOCC1	2216882205	WAGOGFZCQAMTTO-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CC[C@@H](O)CN(C)c1nccc(B(O)O)c1F	2217181460	QCZPTSSYVNMNFG-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C1(C)COC1	2217183188	JIWULFARMJZCBX-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1cc(B(O)O)ccn1	2217199276	BLJXSCRLFIOLNX-IUCAKERBSA-N	238.071	-0.197	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3CCC[C@@H]32)nc1	2217201469	PRIVPARXQMRJBO-UJNFCWOMSA-N	233.080	-0.243	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3OCC[C@H]32)c1	2217203872	BGFRWAFIDOGBIW-AEJSXWLSSA-N	234.064	-0.649	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1ccno1	2222244233	RPIBMGLBTNBXBQ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1Nc1ncccc1B(O)O	2223627743	NVGGNXMJKOCZFD-MNOVXSKESA-N	249.123	-0.440	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@@H](C2)N1c1cc(B(O)O)ccn1	2223674147	NWDWQSAYJZWDIU-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)CC23CC3)c1	2223674870	NTTUSHVWRCZJHS-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
O=C(CCCl)N1CC[C@@H]1[C@@H](O)CO	2241827001	YXPJTUOEPPVDOM-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1coc(B(O)O)c1	2243346827	DHKQLBXMSKPDGG-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1sccc1B(O)O	2243361369	AFCYFCKDZFHRBH-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1CNC(=O)C#CB(O)O	2243361656	FEQSLAZXKSQDIB-MUWHJKNJSA-N	231.007	-0.591	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cc(B(O)O)sn1	2243377666	DTGYIFSRHWXKAA-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243403973	HAWAYSAEVYCKLO-BQBZGAKWSA-N	239.105	-0.044	50	10	BBGE	
Cc1cc(C(=O)N2CC=CC2)c(B(O)O)s1	2243414847	JAKIMRSFLYCIIP-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
OB(O)c1csnc1CO[C@@H]1C=CCOC1	2244086173	DVYISIKCSXREJX-SSDOTTSWSA-N	241.077	-0.706	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244206661	ZPFZBLHMIYASIC-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)NCCC#CB(O)O	2244547048	VARACOSHKSPFJL-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
C#CCC(C)(C)C(=O)NCCC#CB(O)O	2244548446	PNGWEQCOSSJDJI-UHFFFAOYSA-N	221.065	-0.442	50	10	BBGE	
CC1CC(CCC(=O)NCC#CB(O)O)C1	2245510012	MJTRTAGOQULQQS-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
NCCSC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2245520187	GHNWNWDHXHFONM-UWVGGRQHSA-N	245.348	-0.393	50	10	BBGE	
Cc1ccc(=NC(=O)C2(B(O)O)CC2)[nH]n1	2245994619	KWRUSTSBOCUWQL-UHFFFAOYSA-N	221.025	-0.848	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C1CCC1	2247731983	BOIIUVIIVZNULW-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2247746579	AZBJQZLCNXMLAL-JIGDXULJSA-N	235.048	-0.512	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(C(=O)C2(B(O)O)CC2)C1	2247753981	KQLXCRMNGPRLMB-YUMQZZPRSA-N	245.059	-0.421	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1n[nH]cc1B(O)O	2247781520	LSXQYVJPEYIJBW-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
COCC(COC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785052	FJVLWKDKHUEXCV-OCAPTIKFSA-N	245.084	-0.983	50	10	BBGE	
C[C@@]1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247785527	LZSRBSGSBMDOLM-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792693	UMMRFWYTWDAZOG-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
CC[C@H](C)NC(=O)c1c(B(O)O)cnn1CC	2247795924	QDWNUCNGPRYMRZ-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247798853	XRXUAOMYCIYKMF-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799073	ZMBUEBPERNEDCR-KBIXCLLPSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@]2(C1)C[C@@H](O)C2	2247803451	BFLDTNATIQDHFK-FTYOSLGDSA-N	239.080	-0.777	50	10	BBGE	
CN(C[C@](C)(F)C(C)(C)F)C(=O)C#CB(O)O	2247848091	HAADOMRXJJQWCI-JTQLQIEISA-N	247.050	-0.064	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)[C@H]1C[C@H](B(O)O)C1	2247852702	YLZNPZRSVLCLFJ-KYZUINATSA-N	242.128	-0.317	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247852962	DCBZVUQMXCBHOE-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
O=C(N1CC[C@H]2NCC[C@@H]2C1)C1(B(O)O)CC1	2247856395	JAGGLPRMQUXVLP-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccncc2B(O)O)[C@@H]1C	2247872650	WREOTQIFQCZNMO-JGVFFNPUSA-N	234.064	-0.758	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1occc1B(O)O	2247877864	FONQSAKEXPQGNI-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
Cc1cc(C(=O)N2CCC2)cc(C)c1B(O)O	2247892997	KVUMUDSOUOBVMM-UHFFFAOYSA-N	233.076	-0.171	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247896213	YCDCAKSPPKWBHK-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898337	CMQIJUFJBSLJHM-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCN[C@H]2CC[C@@H]21	2247902317	FAZIIRFDOHUQGZ-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
CON(C)CCCNC(=O)C1CC(B(O)O)C1	2247910269	OANNZLCPWZUYNA-UHFFFAOYSA-N	244.100	-0.761	50	10	BBGE	
Cc1ccn(NC(=O)c2cc(B(O)O)co2)c1	2249416448	RRHJCRNUNSBWPS-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]1CF	2249417978	NIGCPALYJQDBME-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
CC=C=CCCNC(=O)c1cocc1B(O)O	2249421209	DRWBSWOLUNIXIB-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
CCNc1ccc(CNC(=O)C#CB(O)O)cc1	2255467081	IKBKVYYVAPTQOW-UHFFFAOYSA-N	246.075	-0.250	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1occc1B(O)O	2255479248	QFNKITDUXISCOX-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H](C)CC#N)c1	2255512166	VWHBIQQRQAWEEK-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
Cc1ccc(C(=O)Nc2cnoc2)c(B(O)O)c1	2255513039	KCEUXONQBQYQNO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1ncccc1B(O)O	2255518388	KEYFQHKAQUKVTJ-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1cncc(B(O)O)c1	2255519636	ZXCWDAJEEMTVDO-VROVMSAKSA-N	246.075	-0.710	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ncccc2B(O)O)C1	2255520803	OSAHESZQZZXKGM-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
Cc1cnc(C(=O)N2CCCCC2)c(B(O)O)c1	2255555869	HSPOIQNULDGJLQ-UHFFFAOYSA-N	248.091	-0.304	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255669032	IKDRPNGWDAQPJA-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1occc1B(O)O	2255739949	RSCZLHZJCRHHFC-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1n[nH]cc1B(O)O	2255763028	FKZBXTFCLVXGFB-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
Cn1ccc(C2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C2)n1	2255765246	NGPBWQNPGMWHRC-RKDXNWHRSA-N	249.079	-0.791	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ncc(B(O)O)cn1	2255774496	KQWIWRNBVCUGCL-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1cocc1B(O)O	2258124970	KKXOCRRUYSRXJU-LAEOZQHASA-N	247.059	-0.346	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1cocc1B(O)O	2258130026	AKNAHMWEROMNGL-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1cocc1B(O)O	2258132913	KIYAKQNOXBDEKE-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)co2)CC(C)C1	2259907783	KPXXBJBUIFRJJJ-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2298166006	MIRGZDUKMJCLCP-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
O=C(N1C[C@H]2C[C@H](CO)[C@H]2C1)C1(B(O)O)CC1	2298368167	QXPZWMYLICOQAA-HLTSFMKQSA-N	239.080	-0.920	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2CO1)[C@H]1C[C@H]1B(O)O	2298369235	NLTYMXWYXJUOFE-LOLPMWEVSA-N	239.080	-0.610	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCN[C@@H]2C1	2298371130	AHJKKCDFNWZAKL-SGIHWFKDSA-N	238.096	-0.940	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299769631	GYMZUGSSVBJJIH-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
O=Cc1ccc(N2CCCCN2)cc1B(O)O	2301453206	RPLNCZIPCJNEBO-UHFFFAOYSA-N	234.064	-0.716	50	10	BBGE	
CNCC[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303855460	MMEIADGWMIBBRY-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
C[C@@H](COc1ccc(B(O)O)cc1C#N)N(C)C	2317150821	JVDKAVZXSVMXLH-VIFPVBQESA-N	248.091	-0.433	50	10	BBGE	
C[C@H](CCN)N(C)c1ccc(B(O)O)cc1C#N	2317156899	XDJNTPDSUOTYKM-SECBINFHSA-N	247.107	-0.588	50	10	BBGE	
Cn1c(SCC(=O)NN)nnc1C1CC1	2521347	MJZMHTRQNAEBIP-UHFFFAOYSA-N	227.293	-0.226	50	10	BBGE	
C[C@H](CN(C)C1CCOCC1)C(=O)NN	82467974	YACQQMBQAZSNPR-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
O=C(O)[C@H]1C[C@H](O)CN1C(=O)CCl	115890186	VXLPYFZWBMGNSX-CRCLSJGQSA-N	207.613	-0.728	50	10	BBGE	
C/C(=N\NC(=O)c1cn[nH]c1N)N(C)C	148401870	BRYVUWJFCANYGP-VZUCSPMQSA-N	210.241	-0.383	50	10	BBGE	
CN1CCN(NC(=O)NC(=O)CCCl)CC1	149611713	YWFNPLMJNSFVLK-UHFFFAOYSA-N	248.714	-0.397	50	10	BBGE	
CC(C)(F)C(=O)NNC(=O)c1c[nH]nn1	156106034	UOHUPKLFNRHHJS-UHFFFAOYSA-N	215.188	-0.686	50	10	BBGE	
O=COCCc1cc(B(O)O)ccc1F	208606821	VQNFWDAORNTUNK-UHFFFAOYSA-N	211.985	-0.779	50	10	BBGE	
C[C@@H](CN1CC(=O)OC(=O)C1)[S@](C)=O	228663817	YLKLIZHFSBYLQV-MDAAJZPYSA-N	219.262	-0.861	50	10	BBGE	
C[C@H](Cl)c1nnc(N2C[C@H](O)[C@H](O)C2)o1	235495949	CEVCYDDVFIFUSS-HCWXCVPCSA-N	233.655	-0.089	50	10	BBGE	
CCOC(=O)CC(=O)NNC(=O)[C@H]1CCCO1	270259874	RMPOWKDLVUUVLM-SSDOTTSWSA-N	244.247	-0.734	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCN1[C@@H](C)C(=O)NN	304625188	YFBWHNANIHYWFS-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CNC[C@H]1C	309657136	WHIQAQHUSABQHY-RNFRBKRXSA-N	215.253	-0.381	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](C)CC(=O)NN	379035504	ZETDGPMBHHWDJB-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CN1CCC[C@H]1CCO)C(=O)NN	379867462	OUJFYYBJQAWNPM-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)[C@H]1C)C(=O)NN	385765132	YCRMDCRZSWTZIW-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
Nc1ccc2scc(C=O)c2c1B(O)O	396281104	ZMZYNPDNWYLHMW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=Cc1csc2cc(B(O)O)c(CO)cc12	396346878	ZWGZRSWQKWWXQX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN1NC(Br)=C=C1/C=N/NC(N)=O	642822123	OUTCOGIEZOBGIB-YCRREMRBSA-N	246.068	-0.190	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCSC[C@H]1CCO	689852613	WAMHSQSKUZYWBN-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NCc1ccccc1B(O)O	690066716	MUWXWWBUGCLMJC-MWLCHTKSSA-N	249.075	-0.983	50	10	BBGE	
Cc1nn(CCCCN(C)C)c(C)c1B(O)O	690610790	VHKVMBWTPSKFEX-UHFFFAOYSA-N	239.128	-0.478	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@H]1CCO	694926754	YGUFSFYCKQZGJF-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
C[C@]1(C(F)F)CN(CC(=O)NN)CCO1	698933392	VDFFVWGEXRBLHH-MRVPVSSYSA-N	223.223	-0.668	50	10	BBGE	
O=C(NCB(O)O)N[C@@H]1C[C@H]2CC[C@H]1C2	701941893	APYCRMMUBXMSLL-BIIVOSGPSA-N	212.058	-0.514	50	10	BBGE	
CC(C)(O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703421798	HRQLJZFHBZEPMZ-BQBZGAKWSA-N	213.233	-0.326	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N(C)N	704704897	BCCSJWSGWSAFIQ-PHDIDXHHSA-N	202.258	-0.599	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(n2ccnc2)C1	707384642	JKUWPJLUQTXBRI-QMMMGPOBSA-N	223.280	-0.492	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1CO	708082634	TVFFJEXWKDRODH-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCCS1	715895446	PZQNOPBPRZGFSZ-ZCFIWIBFSA-N	217.294	-0.622	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2COC[C@H]2C1	718160781	OMODHXWUJDKHHD-RGOKHQFPSA-N	227.308	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCC1CC2	722805775	CFXYMHHSZDMRKS-MRVPVSSYSA-N	212.297	-0.855	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696318	BVVJJEICNGGNNY-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnsn1	730592484	QYJZTSLWVSHCGE-WHFBIAKZSA-N	226.261	-0.045	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)C1=COCCC1	730777239	OAZWZUXCIHXCCY-UHFFFAOYSA-N	237.219	-0.740	50	10	BBGE	
O=C(NN=Cc1cc[nH]n1)[C@H]1COCCO1	755754091	LQIKFBALWVDNAR-MRVPVSSYSA-N	224.220	-0.725	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CC1	770710197	HAWLEUGEZXEOFQ-HTRCEHHLSA-N	227.264	-0.096	50	10	BBGE	
CSCCN(CC(=O)O)C(=O)NN(C)C	829262650	MJYUDPYLVCFAEO-UHFFFAOYSA-N	235.309	-0.078	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1(C(F)F)CC1	844132633	KBDQTYQEPVSXKI-UHFFFAOYSA-N	235.234	-0.259	50	10	BBGE	
CS(=O)(=O)CC(=O)NNC(=O)/C=C\C1CC1	863462270	AKCUGTJAPNYPNN-PLNGDYQASA-N	246.288	-0.855	50	10	BBGE	
O=C(C[C@H]1CCOC1)NNC(=O)[C@H]1CCCO1	1117766651	SAIRKLJWMVZNPJ-RKDXNWHRSA-N	242.275	-0.261	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cc(CO)on1	1136443323	ZLSDHFBFHFXBPP-UHFFFAOYSA-N	242.235	-0.479	50	10	BBGE	
NC(=O)C1(NS(=O)(=O)CCl)CC1	1260935570	OMFDGOJAPBZKTN-UHFFFAOYSA-N	212.658	-0.880	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2ccnnc2)co1	1299501498	IZGQGZATFCFLLV-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1ccon1	1320229436	HAYLCFIMXIQMKW-UHFFFAOYSA-N	249.230	-0.670	50	10	BBGE	
COCC#CC(=O)NNC(=O)Cc1ccccn1	1328210715	YBKCTMOOWAWZRL-UHFFFAOYSA-N	247.254	-0.579	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)c2ccc[nH]2)nn1	1463739241	UORDCRTZMAJCGF-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN(C)C[C@@H](C)O	1468762137	NVYXQFCNSQONHG-RXMQYKEDSA-N	228.252	-0.619	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)Cc1cc[nH]n1	1627569256	WTZANYHWBNNOHA-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
O=C(CCCCO)NNC(=O)c1cnsn1	1634273342	HGQYPTNYMJEUPY-UHFFFAOYSA-N	244.276	-0.538	50	10	BBGE	
N#C/C=C/CN1C(=O)NC2(CC(O)C2)C1=O	1641358094	JTPBRBPWTFGTOQ-OWOJBTEDSA-N	221.216	-0.489	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NN	1880022461	DFJXQUNYYBULQI-BQBZGAKWSA-N	245.279	-0.484	50	10	BBGE	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1880023866	ORCGMPYIFRCDBT-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
O=C(NNCCO)c1nnc(Cl)s1	1882496333	SZEVYGLZXMINOV-UHFFFAOYSA-N	222.657	-0.582	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2Cl)CC(=O)N1	1883554997	WXWYSWXKDFBTHB-RITPCOANSA-N	202.641	-0.428	50	10	BBGE	
C=C(CN=[S@](C)(=O)N(C)C)B(O)O	1883744631	OTUZNVARUJXLPV-ZDUSSCGKSA-N	206.076	-0.871	50	10	BBGE	
CON(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	1885658444	FZTITURSBGKLPJ-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@H](O)C[C@@H]1CO	1886265554	NEUHYTSVKJVIGR-WCTZXXKLSA-N	219.668	-0.432	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN)C[C@]1(C)O	1889151138	RNGCZOBHLUXINL-CBAPKCEASA-N	201.270	-0.931	50	10	BBGE	
NS(=O)(=O)CC1CN(C(=O)CCCl)C1	1891627019	ODJKYJOOYVKMPI-UHFFFAOYSA-N	240.712	-0.638	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@H]1CNCCO1	1893107868	OXFCHJDUHANNQA-BWZBUEFSSA-N	218.684	-0.282	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@H]2C[C@H]2Cl)C(=O)N1	1893469849	NBUDVUZSMMROOP-LMVFSUKVSA-N	216.624	-0.855	50	10	BBGE	
O=C(NNCCO)[C@H]1O[C@H]2CC[C@H]1C2	1893704473	SHGHGLVLDVIBDX-FXQIFTODSA-N	200.238	-0.833	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C1CC1	1896249368	QFQJKYBCFGZKPY-OPRDCNLKSA-N	227.308	-0.400	50	10	BBGE	
C=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901377944	UYWPCKILIZSXIQ-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
C[C@H](COCCO[C@H]1CCOC1)C(=O)NN	1901437025	VBOCKCZKEVIBIC-BDAKNGLRSA-N	232.280	-0.566	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCc2cn[nH]c2)C1	1902541587	QBNWOAQCVULKDP-JTQLQIEISA-N	223.085	-0.109	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](CO)C1)C(=O)NN	1902712315	CQYDWBQJOFVQAF-MWLCHTKSSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)CCCCN1CC=C[C@@H]1CO	1909055785	LAJSGTPBFPZCPW-SECBINFHSA-N	213.281	-0.621	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)CC1COC1	1909750343	QJIIKQIZIORYOV-SSDOTTSWSA-N	235.667	-0.081	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@]2(CO)C1	1910379154	LMYCPHNRHOXPFL-CMPLNLGQSA-N	241.335	-0.149	50	10	BBGE	
C[C@@H](CN1C(=O)CSC1=O)C(=O)NN	1912215119	FDSPAYRVAUWVSK-BYPYZUCNSA-N	217.250	-0.692	50	10	BBGE	
C[C@@H](CN=S1(=O)CCC1)C(=O)NN	1913861761	JRJNOFYORKZRCU-LURJTMIESA-N	205.283	-0.516	50	10	BBGE	
CC1(C(N)=O)CN(C(=O)CCCl)C1	1914231965	JZEUTJXVHJOCOI-UHFFFAOYSA-N	204.657	-0.051	50	10	BBGE	
NC(=O)N1CC(NC(=O)CBr)C1	1917784840	HXJGANLDGBBAEC-UHFFFAOYSA-N	236.069	-0.740	50	10	BBGE	
CN(C)C(=O)CC(=O)NNC(=O)C(F)(F)F	1923402826	VJFAXPRDMHEOTH-UHFFFAOYSA-N	241.169	-0.826	50	10	BBGE	
O=C(NCB(O)O)C1CC[C@@H]2C[C@H]2CC1	1928211004	OBMMCGBQJPKSLQ-RKDXNWHRSA-N	211.070	-0.059	50	10	BBGE	
O=C(NNCCO)c1ccc(Cl)nc1	1929837203	WFAMOAWDOFGCJX-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
O=S1(=O)CC[C@@H](CNC[C@@H](Cl)CF)N1	1930565549	HVVQPIWPLVFWLH-BQBZGAKWSA-N	244.719	-0.155	50	10	BBGE	
C[C@H](O[C@@H]1COCC[C@@H]1C)C(=O)NN	1932290825	OUEYMUUPKVSUSA-BIIVOSGPSA-N	202.254	-0.194	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1COC[C@H]1O	1933389151	LHUWOFVUDLEVMB-NKWVEPMBSA-N	243.712	-0.848	50	10	BBGE	
C[C@@H](c1nccs1)N(C)C(=O)C(=O)NN	1934613607	WEOPKQVWZNTZLO-YFKPBYRVSA-N	228.277	-0.348	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@]12CCOC2	1935064924	MRSHGJYYFKDMMI-XNCJUZBTSA-N	215.278	-0.723	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)C[C@H]1C	1939637521	HEKNRFRJEANDKY-XFWSIPNHSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@H]1C[C@H]1C(=O)NN	1939641259	MNMKSISFCOCGLF-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083927	UZWKBXMZHAFICJ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CCCN(CCN(C)C)C[C@@H]1C[C@@H]1C(=O)NN	1941089527	KLYJLFOZDCWKSQ-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)[C@H](C2CC2)C1	1943084042	VKHLTXCOVXKMGR-YUMQZZPRSA-N	249.261	-0.686	50	10	BBGE	
C[C@@]1(O)CON(Cc2cc(C(=O)NN)co2)C1	1944780223	UIIOHAXZSWEGHA-JTQLQIEISA-N	241.247	-0.619	50	10	BBGE	
Cn1nnc(C(=O)N2CC(Cl)C2)n1	1954055623	BAYVXMYXTHRMKX-UHFFFAOYSA-N	201.617	-0.727	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@@H]32)nc1	1961678073	KVQXGWPXTRMSNH-APPZFPTMSA-N	204.038	-0.640	50	10	BBGE	
CO[C@H](C)CC(=O)N1CCC(B(O)O)CC1	1964500961	QDYCVFFSBFXDDL-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1F	1973853732	JLSMJTPVENAHCP-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[C@H]1CO	1978944610	MCCNPGUUFOFPGM-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]2C(F)F)nc1	1981410734	CSRPPOQLYCCVTE-ZETCQYMHSA-N	228.007	-0.395	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccncc2B(O)O)CO1	1981430535	PEUCDDYGCMHBLD-JGVFFNPUSA-N	223.037	-0.682	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@H](CO)C2	1986567061	PKVPOJMVSHKKAY-ILWJIGKKSA-N	227.308	-0.398	50	10	BBGE	
C[C@@]1(c2cccc(B(O)O)c2)COC(=O)N1	1986905401	RGLUUWQEXCFWJY-JTQLQIEISA-N	221.021	-0.679	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(F)cc1N	1989371553	UFXHHTCLLBEDHA-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@@H](C1)C2(C)C	1990772348	IUXPONBCKQOKNF-RKDXNWHRSA-N	225.292	-0.259	50	10	BBGE	
CC(=O)NNC(=O)CN(C)c1cccnc1	1990772686	MUBGGHJVNAABLN-UHFFFAOYSA-N	222.248	-0.315	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCc1nc(=O)o[nH]1	1991647797	IJWAFBUBOJIYJV-UHFFFAOYSA-N	245.622	-0.657	50	10	BBGE	
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)NN	2004364718	LRHLXMQDPNJABF-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CN=[N+]=[N-]	2009444349	FZEPMEJOACXHBN-QMMMGPOBSA-N	240.267	-0.072	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3COC[C@@H]32)on1	2013468779	PNFZOTLNMXACEF-RCOVLWMOSA-N	238.247	-0.891	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cc(B(O)O)ccc1F	2014604794	LIISTESJTDYFHW-XVKPBYJWSA-N	240.039	-0.081	50	10	BBGE	
CN(CCC(=O)N(C)C)CC(C)(C)C(=O)NN	2014822989	FTBFQPICPGHUQJ-UHFFFAOYSA-N	244.339	-0.587	50	10	BBGE	
CCNC(=O)N1CCCc2ccc(B(O)O)cc21	2028508037	AHKRABDVUGFCEE-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1[C@H]2CCC[C@H]21	2048412499	UJVRGMHOMGMOBR-AYMMMOKOSA-N	247.063	-0.859	50	10	BBGE	
CCOc1ccc(B(O)O)c([N+](=O)[O-])c1F	2060129300	JHRDLOMEXKCTFG-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)c1ccc(B(O)O)cn1	2073877460	ONFQNJVBEVXQBF-WVSHTKLVSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H](C(=O)N[C@H]1CCC=C1B(O)O)n1cccn1	2076076456	NYAGBVORHNFAGS-WPRPVWTQSA-N	249.079	-0.339	50	10	BBGE	
C[C@@H]1COCCN1Cc1ccc(B(O)O)s1	2211079631	VNLNYLWMZXBIRW-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(CCCC(=O)NN)C1	2211250911	SAEYNDQDZFPUGQ-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
COc1ccnc(CNC(=O)NN)c1OC	2212434279	OATSIIPZBOPQTC-UHFFFAOYSA-N	226.236	-0.228	50	10	BBGE	
Cc1cnc(OC(CF)CF)cc1B(O)O	2212600190	SPIURQPRAPIADJ-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
C[C@@H]1C(CNc2ncc(B(O)O)cn2)[C@H]1C	2212603664	IHYHJRMQVJETCC-BQBZGAKWSA-N	221.069	-0.530	50	10	BBGE	
CC[C@H](CO)Nc1cc(B(O)O)c(C)cn1	2212604068	LRCPXNODPJEAGO-MRVPVSSYSA-N	224.069	-0.747	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C(C)(C)N	2212610368	HPTRAJZKJFJZGU-SSDOTTSWSA-N	223.085	-0.701	50	10	BBGE	
C[C@]1(F)C[C@H](Nc2ncc(B(O)O)cn2)C1	2212611113	VHLWJNCYRMRYEO-XWEPSHTISA-N	225.032	-0.541	50	10	BBGE	
OB(O)c1cccnc1NCc1nccs1	2212615180	KXEGJVJOBHZUQY-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213882181	ISTOQJFZWNRYFP-VGMNWLOBSA-N	247.314	-0.204	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H](O)C[C@@H](F)C1	2215775493	HHRBCOZPMQIUST-JLIMGVALSA-N	245.298	-0.593	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCC[C@@H]2O)c1	2217179348	JPOYMBXCKWBLHO-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cnc(NC2CCC(F)CC2)nc1	2217179456	KVGOVQQXFVFJPI-UHFFFAOYSA-N	239.059	-0.151	50	10	BBGE	
Cc1cnc(NCc2cc[nH]n2)cc1B(O)O	2217182140	ZQLGYXLYKDFRGW-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
COCC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217183024	IMWUNWAOUMLVCF-VIFPVBQESA-N	238.096	-0.093	50	10	BBGE	
C=C(CCN)COc1nccc(B(O)O)c1F	2217190670	PAAQMIICSDHSFW-UHFFFAOYSA-N	240.043	-0.816	50	10	BBGE	
OCC[C@@H]1CCCN1c1ccc(B(O)O)cn1	2217196138	PQLLHBPSUKJCDM-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
N[C@H]1C[C@](F)(CNc2ccc(B(O)O)cn2)C1	2217199484	MRBRXQYLBURVBS-WAAGHKOSSA-N	239.059	-0.997	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)Nc1ccc(B(O)O)cn1	2217200297	JIBKLUGLGDPSFR-SCZZXKLOSA-N	238.096	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1Cc2cncnc2C1	2221571225	DVHGENNLBGTVPR-WCBMZHEXSA-N	247.302	-0.192	50	10	BBGE	
CN(Cc1cccnn1)C[C@H]1CC[C@H]1C(=O)NN	2221573139	PPXGBOCIHNMWHH-MWLCHTKSSA-N	249.318	-0.076	50	10	BBGE	
Cc1cnc(O[C@H]2CNC23CCC3)cc1B(O)O	2223629119	FTIUNOWVHXUUPI-JTQLQIEISA-N	248.091	-0.657	50	10	BBGE	
Cc1c(CNc2ncccc2B(O)O)cnn1C	2223631740	AJSQCCBAGIKFMZ-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C=CC1(O)CCN(c2ncccc2B(O)O)CC1	2223634627	MZQILHKUHKWMPO-UHFFFAOYSA-N	248.091	-0.721	50	10	BBGE	
C=CCO[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2223634889	PXYYJXMRXFEIAV-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
COc1cc(Nc2ccc(B(O)O)cn2)nn1C	2223638533	LMZZZXQGUFEQMA-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
C#C[C@H]1CCCCN1c1nccc(B(O)O)c1F	2223640957	ODOVNKZSADETSQ-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
NC[C@@H]1CCCCN(c2ccc(B(O)O)cn2)C1	2223671156	IHECMNQAQJPFCO-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
C=CCN1CCN(c2cc(B(O)O)ccn2)CC1	2223677016	IWWVOLNQQFQXSW-UHFFFAOYSA-N	247.107	-0.931	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC[C@@H]3C[C@@H]23)[nH]c1	2223678219	YSOCFXHHNPRARO-NGZCFLSTSA-N	247.107	-0.574	50	10	BBGE	
O=C(O)COCC(=O)N[C@H]1C[C@H](Cl)C1	2241671235	UQYXXYICZVBTAW-IZLXSQMJSA-N	221.640	-0.026	50	10	BBGE	
N[C@@H]1C[C@@]2(NC(=O)/C=C/C(=O)Cl)CO[C@H]1C2	2243278446	YNALASRPJYZMMN-HLBSCXAUSA-N	244.678	-0.317	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC2(CSC2)C1	2243348908	BVQUBLDBLPYYCW-UHFFFAOYSA-N	239.105	-0.739	50	10	BBGE	
CCCOC1(CNC(=O)C#CB(O)O)CC1	2243362038	LBXFUXRDTUSJNO-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C[C@@H]1CNC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363636	JXULJQDQPOFIGW-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
CCOCCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243381881	JXSQDQONOGTEAT-DTWKUNHWSA-N	229.085	-0.218	50	10	BBGE	
NC1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243383568	ZEVLWXPGUUCHAV-OCAPTIKFSA-N	226.085	-0.811	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1O)C1CC(B(O)O)C1	2243396543	NRAKHPHHGCSUBL-PEBLOWIWSA-N	227.069	-0.731	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)C1CC(B(O)O)C1	2243396544	NRAKHPHHGCSUBL-YNTFGVKOSA-N	227.069	-0.731	50	10	BBGE	
C[C@]1(NC(=O)C#CB(O)O)CCC(F)(F)C1	2243400694	GLBWMGOJYFXPEM-QMMMGPOBSA-N	231.007	-0.304	50	10	BBGE	
CC1(CNC(=O)C#CB(O)O)CCSCC1	2243401933	ZHPFHEAELWHGPN-UHFFFAOYSA-N	241.121	-0.349	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C#CB(O)O)C[C@@H](C)O1	2243404256	LJUIRFXOTVZNKO-BRPSZJMVSA-N	225.053	-0.926	50	10	BBGE	
CCCN(CCOC)C(=O)[C@H]1C[C@H]1B(O)O	2243404317	MJLQJCQOLSWJIM-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
CN(Cc1ccon1)C(=O)[C@H]1C[C@@H]1B(O)O	2243404873	VVDCTTXFIOMKEL-YUMQZZPRSA-N	224.025	-0.504	50	10	BBGE	
C#CCC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2243425700	BAMMEBBUVUZTGW-BDAKNGLRSA-N	221.065	-0.089	50	10	BBGE	
O=C1NCCC[C@@H]1N1CCC(B(O)O)CC1	2244180674	PSDGDYGQXGQQMP-VIFPVBQESA-N	226.085	-0.796	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cocc1B(O)O	2244205458	JQWZWQCRXXDOJF-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
CC(F)(F)CNC(=O)c1cocc1B(O)O	2244216478	LBXZHYSUUCDVFI-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
O=C(NCB(O)O)[C@@]12CC[C@@](CF)(C1)OC2	2245519898	FCRCLIVXBJRIJH-IUCAKERBSA-N	231.032	-0.977	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1coc(B(O)O)c1	2247734107	RPIZRCNHZLCBOO-SECBINFHSA-N	235.048	-0.250	50	10	BBGE	
CC1(C)CCCO[C@H]1CNC(=O)C#CB(O)O	2247739747	AUCNBXCEEZAFNS-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CCN(CC(F)F)C(=O)c1ccoc1B(O)O	2247742035	JQFREYGPTVHBRJ-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCc2occc21	2247742418	OKIAKSWJMWOKBX-VIFPVBQESA-N	233.032	-0.211	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=C(F)CC1	2247743387	CPNGEOFTUNJTDC-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]1C(F)F	2247744660	WDEWEKWGVMVXIU-ZCFIWIBFSA-N	244.990	-0.561	50	10	BBGE	
CCN1CC(CN(C)C(=O)C2(B(O)O)CC2)C1	2247750346	ICBIDFBCIYVRCB-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CNC[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247750614	MBFJUGJRDOGALA-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCC1CC1	2247760397	HLXSKYKWRMCSNS-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
CN(C[C@@H]1CCNC1)C(=O)C1CC(B(O)O)C1	2247792206	RBCNZSWQUTUSGT-XNWIYYODSA-N	240.112	-0.693	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CO1	2247800364	OEPOKVNUYNDAKR-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCOC1	2247801108	XEMTZDXUUBJWCK-NGZCFLSTSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)C2(CC2)C1	2247809114	NYMGIHRMGXFBMT-VGMNWLOBSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2247810611	YTKGZDPAIZYZDA-AZDAQJLHSA-N	241.096	-0.223	50	10	BBGE	
CN(C[C@H]1CCC[C@@H](F)C1)C(=O)C#CB(O)O	2247841053	DOLHXYAMJFBUHQ-VHSXEESVSA-N	241.071	-0.012	50	10	BBGE	
C[C@H]1C(CNC(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247850159	KRTDZFBOOZNAKS-RNFRBKRXSA-N	236.080	-0.674	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2247870259	HBAQYPDBCAZGFK-KCJUWKMLSA-N	235.048	-0.559	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1B(O)O	2247874602	NGTBOJSGBIDYPV-WCBMZHEXSA-N	233.076	-0.187	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cncc(B(O)O)c2)[C@H]1C	2247875000	VOHBRBGDHWHFQM-BQBZGAKWSA-N	234.064	-0.854	50	10	BBGE	
CC1(C)CCN(C(=O)c2occc2B(O)O)C1	2247878778	NCXSGUKDIRUPBA-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CO[C@H]1C=C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247880383	ZXCRKUYGEPUUGG-BDAKNGLRSA-N	239.080	-0.157	50	10	BBGE	
C=C1CON(C(=O)c2cc(C)c(B(O)O)o2)C1	2247890756	RJVTZGYKPHPDGP-UHFFFAOYSA-N	237.020	-0.789	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@@]2(CO)C1	2247896441	GXZACXOFGZDNPS-CDLYGTGVSA-N	239.080	-0.920	50	10	BBGE	
O=C(NC1CC2(COC2)C1)[C@H]1C[C@H](B(O)O)C1	2247897086	NTTUJXXRKGSRDO-ZKCHVHJHSA-N	239.080	-0.465	50	10	BBGE	
CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247898038	ZTKJXTZMMZXJQV-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2248480008	WVOWUJSYQDMVAH-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
CC[C@H](CNC(=O)c1cocc1B(O)O)OC	2249417932	MQLPJVOGKIFTLU-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1cc(B(O)O)co1	2249432986	GFHJZEJAKLQGQY-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CC(C)(C)CCN(CCO)C(=O)C#CB(O)O	2251502467	OADNOKGAFIOUSY-UHFFFAOYSA-N	241.096	-0.741	50	10	BBGE	
Cc1ccc(=NC(=O)C2CC(B(O)O)C2)[nH]n1	2252825221	YZIPENBJMSQFKC-UHFFFAOYSA-N	235.052	-0.602	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ccncc1B(O)O	2255452562	KQULSXIKOUFLOO-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]1C1CC1	2255481457	HUQGJMZIMNTPDG-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(N1CCc2ccncc2C1)C1(B(O)O)CC1	2255486875	HGSZLWJZROLAHP-UHFFFAOYSA-N	246.075	-0.027	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCCO2)c1	2255512068	UGMKXALZTNNMDN-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC2(CC2)C1	2255515491	YNUBRPIKNMVWIJ-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
C=C(C)CN(C)C(=O)c1nccc(C)c1B(O)O	2255581880	RMHXPLAHXMZHQK-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
C[C@@]1(NC(=O)c2cncc(B(O)O)c2)C=CCC1	2255722283	MWBIOQXUVOOGCL-GFCCVEGCSA-N	246.075	-0.400	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255729385	UTMIXYRNGIJMAK-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
Cc1cnn(C2CN(C(=O)C3(B(O)O)CC3)C2)c1	2255739920	RJCOSXKDEFCOHR-UHFFFAOYSA-N	249.079	-0.418	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CCCCC1	2255951642	ITCJKARMGNGVAX-UHFFFAOYSA-N	249.075	-0.302	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)c(F)cc1C	2258085357	VWCRQPBUIBRTMX-MRVPVSSYSA-N	249.050	-0.435	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2298368711	TUFHMBSYVILKPT-CKEKPRIKSA-N	239.080	-0.608	50	10	BBGE	
O=C(NC[C@@H](F)[C@@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2298375179	WSPBGUMALKYYHK-FNCVBFRFSA-N	245.059	-0.660	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377148	GJJBVGJBNMASCX-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
CN1CCC2(CCN(CCC(=O)NN)CC2)C1	2299207869	BJTFNUMVDASKEE-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CC1	2299283924	UOECQIJYBQKOKL-RQJHMYQMSA-N	241.052	-0.780	50	10	BBGE	
N[C@@H]1CC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2301423407	RYXHOUYGBGYIBA-GHMZBOCLSA-N	235.048	-0.953	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(B(O)O)c(C)c1	2301604949	IDJGUYUXIBPNGX-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
C[C@@H](COCc1nnn2c1CCC2)C(=O)NN	2301606859	YXVKAKCWYANDRP-ZETCQYMHSA-N	239.279	-0.633	50	10	BBGE	
CNCC[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317164690	CMQRXTYGJITBAR-VIFPVBQESA-N	247.107	-0.352	50	10	BBGE	
O=C(CBr)N1CCNC1=O	39055464	AWKWYTREJZNWOI-UHFFFAOYSA-N	207.027	-0.067	50	10	BBGE	
COC(=O)[C@@H]1CCC(=O)N1C(=O)CCl	39652218	ZJXLUERHPDXFGJ-YFKPBYRVSA-N	219.624	-0.084	50	10	BBGE	
CCNC(=O)[C@@H](C)NC(=O)NC(=O)[C@H](C)Cl	49230933	IWPJNJJIWOSNIR-NTSWFWBYSA-N	249.698	-0.036	50	10	BBGE	
C[C@H](CSc1n[nH]c(N)n1)C(=O)NN	82472953	LRTOYEWCXUAAGI-GSVOUGTGSA-N	216.270	-0.895	50	10	BBGE	
CCOCCN(CC)C[C@H](C)C(=O)NN	82538310	RQXIOJDTOAHOFP-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
COc1ncccc1C(=O)NNC(N)=S	83590930	BLHLSIYDPUGTAX-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
CSCC(=O)NNC(=O)[C@@H]1CCOC1	89995997	QFIOWFUJJGHIAQ-ZCFIWIBFSA-N	218.278	-0.467	50	10	BBGE	
CC1(C)NC(=O)N(C[C@@H](O)CCl)C1=O	143783355	KFIFIGCBLVDYRO-YFKPBYRVSA-N	220.656	-0.084	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)CSC	186119766	RMUKKKWISSHKKL-LURJTMIESA-N	215.278	-0.299	50	10	BBGE	
N[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H]1B(O)O	196374090	SMODZDWDAYGSIG-BBBLOLIVSA-N	238.096	-0.717	50	10	BBGE	
O=C(O)CSS(=O)(=O)CC(=O)O	212773035	KGOLYMPLJYBGHL-UHFFFAOYSA-N	214.220	-0.781	50	10	BBGE	
O=S(=O)(CCO)CCOCCCl	220753178	KDMQAOMAVAQXQK-UHFFFAOYSA-N	216.686	-0.351	50	10	BBGE	
COCCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223089560	UIUKULFYEJYMFA-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CCN1CCN2CCCC[C@@H]2C1	227398073	OFFDFZSVIIDZAR-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
O=C(CCl)NC1(CO)CCOCC1	230729932	LQGMHOXGRMENSU-UHFFFAOYSA-N	207.657	-0.117	50	10	BBGE	
CNC(=O)[C@]1(C)CCN([C@@H](C)CC(=O)NN)C1	230921155	IDMBVYHUJTZNEJ-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCl)c1nn[nH]n1	232299233	LFQBRIICRHCXIT-BYPYZUCNSA-N	239.688	-0.581	50	10	BBGE	
COC[C@@H](OCCC(F)(F)F)C(=O)NN	232418635	IQNPRPISNHPDQE-RXMQYKEDSA-N	230.186	-0.040	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)c1nccs1	232530046	IWWDRHHJKXAGDT-UHFFFAOYSA-N	228.277	-0.516	50	10	BBGE	
CC1(C)O[C@H]2[C@H](O)CN/C(=C/C#N)[C@H]2O1	238202040	WIMLSGGTZJODEX-IZDQUALLSA-N	210.233	-0.122	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NNC(=O)OC(C)(C)C	238411412	DYPBFFCYHXXAFR-PHDIDXHHSA-N	233.268	-0.750	50	10	BBGE	
Cc1[nH]c(=O)[nH]c(=O)c1CNCCCl	238484729	UNQSKOWQJLJUSL-UHFFFAOYSA-N	217.656	-0.300	50	10	BBGE	
O=Cc1ncc(C(F)(F)F)cc1B(O)O	238616306	OMHABXUJGHXKBG-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
COCC[C@@H](CO)NC(=O)CBr	300767343	OZGOYQUULBJWGV-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
C[C@H](CCC(=O)NN)SCC(=O)N(C)C	300859232	OVOSCKUYJZLEGM-SSDOTTSWSA-N	233.337	-0.034	50	10	BBGE	
C[C@H](Cl)c1nnnn1C1CS(=O)(=O)C1	307052494	ORPBJJKJWNIOIM-BYPYZUCNSA-N	236.684	-0.058	50	10	BBGE	
CN1C[C@@H](n2cnnc2CCl)C(=O)N1	307345520	KTCPSBNULXELQI-RXMQYKEDSA-N	215.644	-0.465	50	10	BBGE	
Nc1ncccc1C=NNC(=O)CCO	308917368	BKWIERMMKZJGRD-UHFFFAOYSA-N	208.221	-0.504	50	10	BBGE	
COC(=O)N1CCN(CCCC(=O)NN)CC1	387192345	MOBYRALVSRDYCK-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F	396468630	YPGSJNJFMFWNLO-JGVFFNPUSA-N	248.997	-0.711	50	10	BBGE	
CCC[S@@](=O)NCc1sccc1B(O)O	404854630	QTIPHNJZGSZGLF-OAHLLOKOSA-N	247.150	-0.409	50	10	BBGE	
CSCCC(=O)N1CC[C@@H](B(O)O)C1	585075654	TZCQJBJXBFGFMK-SSDOTTSWSA-N	217.099	-0.185	50	10	BBGE	
C[C@@H](C1CNC1)N1CCC(O)(C#N)CC1	686261991	CFHUWOQVNGTVFU-VIFPVBQESA-N	209.293	-0.055	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1[C@H](C)O	688023432	GZGBGNSEMOEHLZ-WCBMZHEXSA-N	243.307	-0.611	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2ccnc2)CC1	692115008	QDJYMCZQCRWVEV-UHFFFAOYSA-N	234.259	-0.240	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)C1CCC1	700866432	SYZWBQHIXTUTMN-LURJTMIESA-N	217.294	-0.334	50	10	BBGE	
CCOC(=O)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703438867	LCTCTVOIBILENP-FXQIFTODSA-N	241.243	-0.146	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@H](C)OC)C(C)C	708298795	UTAJQODUHZSUMZ-VHSXEESVSA-N	247.339	-0.263	50	10	BBGE	
CCN(C)C(=O)N1CCc2cccc(B(O)O)c21	712164298	SMLLVHSIMNSLLO-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
CN(CCC#N)Cc1nsc(C(=O)NN)n1	724348736	BEWKQOYPGQWVLQ-UHFFFAOYSA-N	240.292	-0.513	50	10	BBGE	
CC(=O)NNC(=O)C1CN(C2CCOCC2)C1	895477062	QKYDTVBTZPYSTQ-UHFFFAOYSA-N	241.291	-0.736	50	10	BBGE	
Cn1cnc(C(=O)NNc2ccccn2)cc1=O	1137978707	OGJXGWWFSHTQQZ-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
COC(=O)C(=O)NN=C1CC(=O)N2CCC[C@@H]12	1344574022	GAKPFLWVOSCWBE-ZETCQYMHSA-N	239.231	-0.974	50	10	BBGE	
C[C@H](CCN(C)C)C(=O)NNC(=O)N(C)C	1544265034	FIIVDOZPFJBXJX-MRVPVSSYSA-N	230.312	-0.123	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1NC(=O)O[C@H]1C	1556548406	RMKIHDJNZJWJFX-WHFBIAKZSA-N	231.208	-0.787	50	10	BBGE	
N#CC1=CCN(C(=O)CCc2nn[nH]n2)CC1	1636504872	HGTXLBSVAUOITP-UHFFFAOYSA-N	232.247	-0.185	50	10	BBGE	
NC(=O)c1c[nH][nH]c1=NC(=O)C(Cl)Cl	1865989415	GAGBQSOUILFJQV-UHFFFAOYSA-N	237.046	-0.327	50	10	BBGE	
NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCl	1876426798	DRRXZDJDFSDRBP-WDSKDSINSA-N	217.656	-0.411	50	10	BBGE	
O=C(NCCO)[C@@H]1C[C@@H]1Br	1877356017	KHDBXJNANGXLOR-UHNVWZDZSA-N	208.055	-0.122	50	10	BBGE	
NC(=O)N1CC(CNC(=O)OCCl)C1	1885619351	REUBZLUTNYLANB-UHFFFAOYSA-N	221.644	-0.081	50	10	BBGE	
C[C@@H](COC[C@H](C)N(C)C)C(=O)NN	1888721593	PYZCLNUCKGONNI-YUMQZZPRSA-N	203.286	-0.421	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@@H]2C[C@H]2Cl)C1	1893119810	QWUFMWZRHLLNGF-POYBYMJQSA-N	238.740	-0.153	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@@H]1Cl)c1nc[nH]n1	1893120247	USDNBKSDEGNEAU-WHFBIAKZSA-N	236.684	-0.290	50	10	BBGE	
NC(=O)C1(OCC2CC(Cl)C2)CNC1	1893491226	SGCXTUHHDSSLEC-UHFFFAOYSA-N	218.684	-0.152	50	10	BBGE	
CC(CO)(CO)NC(=O)/C=C/C(=O)Cl	1893498436	UADNBUASTLILGC-NSCUHMNNSA-N	221.640	-0.833	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1893950581	KZAFPSQZWWBYMU-GJMOJQLCSA-N	219.260	-0.983	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](CO)[C@H](CO)C1	1897219607	RLWPJRARSZBESC-YUMQZZPRSA-N	247.678	-0.633	50	10	BBGE	
CC[C@]1(C(=O)NN(C)S(C)(=O)=O)CCNC1	1901339089	IDKBRAKURAAGGF-VIFPVBQESA-N	249.336	-0.701	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C[C@@H]1CCN1	1901340639	IAZKZGQJRMCRFD-QMMMGPOBSA-N	249.336	-0.560	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCC1[C@H]2COC[C@H]12	1902331138	OSASIYUIZCYUCO-KHUVANEUSA-N	226.276	-0.479	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)c(F)cn1	1903011149	XLZXCQJIPYTTKV-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1C[C@@H](F)C1	1904939677	VUABILQSBFARSK-OOZYFLPDSA-N	227.044	-0.049	50	10	BBGE	
CN(C[C@H]1O[C@H]2CC[C@H]1C2)C(=O)C(=O)NN	1905126323	KTONKIYJVUTFIU-BIIVOSGPSA-N	227.264	-0.998	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	1910103427	GAHYXGWYBJMDFW-NRPADANISA-N	239.080	-0.372	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@H](C)C(=O)NN	1912229466	RHIXNWSNSDIAHZ-ZETCQYMHSA-N	234.259	-0.346	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CC(F)(F)C(=O)NN	1914257451	SUMVDDQIELYGBN-RITPCOANSA-N	223.223	-0.933	50	10	BBGE	
COc1ncc[nH]c1=NNC(=O)C(F)(F)F	1923403024	NJJLFXXECGBXAG-UHFFFAOYSA-N	236.153	-0.088	50	10	BBGE	
OB(O)CN=c1cc[nH]cc1Br	1923809984	AAKFDMMRLNFHHE-UHFFFAOYSA-N	230.858	-0.310	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@@H]1CN(C)C[C@@H]1Cl	1928957108	IIJWZFAXDUUYGV-QCLAVDOMSA-N	234.727	-0.089	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CO[C@@H](C2)C1	1932133246	BSEZLERYXFDOLA-CIUDSAMLSA-N	213.281	-0.524	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@H](O)CCO1	1933453140	GCHWWJHLNQQTSU-RNFRBKRXSA-N	243.712	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COC[C@H]2C1	1936083769	JYXOJVCWAGULRK-DOLQZWNJSA-N	225.292	-0.809	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936091176	LJWSEWFZUDGWHG-YIZRAAEISA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2CCC[C@H]21	1937413923	CYJVBJXQNZBPQY-FNCVBFRFSA-N	223.276	-0.377	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O	1939903767	QDBOXDVWTAXFSY-BIIVOSGPSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H]1C(=O)N(CCOCC(=O)NN)[C@H](C)[C@H]1C	1941772710	NBPQALZZHGVUIU-XHNCKOQMSA-N	243.307	-0.504	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]3(CCOC3)C2)CC1	1945883475	ZPBZOMUTIFDMDX-LLVKDONJSA-N	239.319	-0.131	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C[C@H]1F	1947340852	OOTGZJSAVSKDJQ-RGOKHQFPSA-N	245.298	-0.186	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)CC12CCC2	1949817151	KAIQLPHEFSNRKG-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1COC[C@H]1O	1954504987	AEHXZHAFLQEAQC-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
O=C(CCl)NC[C@@H]1CCNC(=O)C1	1954564061	IZPHNPKHTRQVGY-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
O=S(=O)(CCl)N1CCOCCOCC1	1955371176	MHUFZXXDXNZGTJ-UHFFFAOYSA-N	243.712	-0.139	50	10	BBGE	
CNC(=O)C1CN(CCOCCCl)C1	1956256906	WGKDIXHAYLBJMX-UHFFFAOYSA-N	220.700	-0.080	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1956858424	MQLNAERDEXHBRC-CRCLSJGQSA-N	218.640	-0.513	50	10	BBGE	
C[C@H](CSc1ncncc1N)C(=O)NN	1957980769	PLVAXZDLSILQKV-RXMQYKEDSA-N	227.293	-0.223	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)[C@@H]2COC[C@H]12	1958122896	QNPNPPQZEKHJOB-UTINFBMNSA-N	235.711	-0.068	50	10	BBGE	
C[C@H](Oc1ccncc1B(O)O)C1CC1	1961712778	OJWJSNYOGXLZGG-ZETCQYMHSA-N	207.038	-0.061	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)c1cccc(B(O)O)c1	1962790052	LRHPHWCJTIPERP-NSHDSACASA-N	247.059	-0.949	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cccc(B(O)O)c1	1969586436	UIOKFIXMOCZEOK-LDYMZIIASA-N	233.076	-0.153	50	10	BBGE	
O=C(c1ccnnc1)N1CCC(B(O)O)CC1	1971373098	RNNHVYGZMVHBLX-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CO[C@]2(CCOC2)C1	1975213663	ULZZLFRJODBVFH-IONNQARKSA-N	215.253	-0.551	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)CC[C@H]1CO	1979551555	PZRRWKCFHGWZHL-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)COCCN1CC2(CC(F)C2)C1	1981214964	VBKNWCMHEFZTIF-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)CC1(C)C	1982496041	AWOSJDWNBYQLMT-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
CC1(C)CO[C@H](COCCC(=O)NN)CO1	1984654770	FYOMKNWQOOICIN-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ncc(F)cc1B(O)O	1988001962	QAMOGNNHGVDYAE-RQJHMYQMSA-N	224.044	-0.255	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCOCC(=O)NN)CS1	1988352186	UPJLWCSQWROFEM-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
Cc1nc(C)c(C(=O)NCC#CB(O)O)o1	1992144797	DTGQAOFSTKUXSC-UHFFFAOYSA-N	222.009	-0.963	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN(C2CCC2)CC1	2003612239	DQCJMWRHQHOOQP-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2CN(C)CC[C@H]21	2004306102	DWVQQYLDDXQUQD-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
Cn1ccnc1[C@H]1CCN(CCC(=O)NN)C1	2004405989	DLZZJFMSJRRUES-VIFPVBQESA-N	237.307	-0.411	50	10	BBGE	
CC[C@@H]1CC[C@H](C)N1c1ncncc1B(O)O	2004919597	AZUNSUFVSBLDMM-DTWKUNHWSA-N	235.096	-0.076	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)C(C)(C)C1	2004920899	PBGMRYAFQAZECW-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
Cc1ccnc(O[C@]2(C)CCOC2)c1B(O)O	2004925668	SZFVXMQTBGODED-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
Cc1nc(O[C@@H]2CO[C@H](C)C2)ncc1B(O)O	2004935053	UWJIBEZUJQMBCA-SVRRBLITSA-N	238.052	-0.979	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCN2CC[C@H]1C2	2008869400	ZPNCMENUPXANAO-QMMMGPOBSA-N	248.277	-0.608	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)O[C@@H](CCO)C1	2009334132	FCUMKNRBDIEZKW-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@@H]2CO)C1	2010832343	HKIDHDLRPLNGPI-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
CCC(=O)N1CCN([C@H](C)CC(=O)NN)CC1	2011466415	YUDDCTUYAAFPJR-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
COC[C@H](C)CCOc1ncccc1B(O)O	2014223175	BIIYQTHDNDIXFV-SECBINFHSA-N	239.080	-0.187	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC23CC(F)(F)C3)c1	2015509843	QYUAXQCTLVFZSY-ZETCQYMHSA-N	242.034	-0.002	50	10	BBGE	
COCCN(C1COC1)[C@@H](C(=O)NN)C(C)C	2018183613	YXISYWJCIWNNTA-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
CN(C[C@]12CCC[C@H]1C2)c1ncncc1B(O)O	2052467970	XKSFZVQGAJVLOV-JOYOIKCWSA-N	247.107	-0.217	50	10	BBGE	
CCOc1ccc(B(O)O)c(C)c1C#N	2060204124	SOGDEQCSXBCUJU-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
Cn1ccc(C2CN(C[C@@H]3C[C@@H]3C(=O)NN)C2)n1	2074816441	UQBCZGDSFOEHOB-WPRPVWTQSA-N	249.318	-0.555	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]1C1CCC1	2079374247	IMGHTXXOILNLFV-WDEREUQCSA-N	247.103	-0.036	50	10	BBGE	
O=S(=O)(NCCO)N1CCC(Cl)CC1	2210070865	CIGVFOVKPNWSDB-UHFFFAOYSA-N	242.728	-0.484	50	10	BBGE	
Cc1cnc(N[C@H]2CC2(F)F)cc1B(O)O	2212603490	GVEZFPBFBQDHPM-ZETCQYMHSA-N	228.007	-0.111	50	10	BBGE	
OB(O)c1ccnc(N2CCCSCC2)c1	2212611008	SRRGEZYWFJYSMS-UHFFFAOYSA-N	238.121	-0.295	50	10	BBGE	
NNC(=O)CN1C[C@H](O)CC12CCCCC2	2212757801	CNDXPNZHPOCFFA-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CN(Cc1occc1C(=O)NN)[C@H]1C[C@@H](O)C1	2212784341	WAVLYPBTYMPRIV-OCAPTIKFSA-N	239.275	-0.162	50	10	BBGE	
NC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214605896	PWIPIPDOCMZFEN-LBPRGKRZSA-N	234.108	-0.711	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@@H]1CC[C@H]1C(=O)NN	2215771533	IOTFXLTWAFQKFE-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1F	2215773645	UAMZIQFTAMQKEF-AATLWQCWSA-N	245.298	-0.329	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Oc1ncccc1B(O)O	2217168106	RXIYBPKJTOHFMX-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(O[C@H](C)CCCN)cc1B(O)O	2217168936	ZQBDTJAKDPFZEM-SECBINFHSA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@H](O)C2)c1	2217177473	JMERBPZZKLUWSU-UWVGGRQHSA-N	236.080	-0.523	50	10	BBGE	
C#CCCCCN=c1[nH]ccc(B(O)O)c1F	2217179223	ICWKOBWVFXMXHS-UHFFFAOYSA-N	236.055	-0.462	50	10	BBGE	
CO[C@@H]1C=C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217184545	PYXBXBORDMLUNE-NXEZZACHSA-N	234.064	-0.483	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c1	2217201509	QKHVCORKHBFQKD-CPOMMVLXSA-N	230.076	-0.394	50	10	BBGE	
OC[C@H]1CCCCN1Cc1cccc(B(O)O)c1	2220056117	BNJRPJWOTKDCGE-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2COC[C@@H]2C2CC2)nc1	2223677245	LRQVEHDUTCOZLR-GHMZBOCLSA-N	248.091	-0.402	50	10	BBGE	
O=C(N1CC[C@@H]1CF)C1(B(O)O)CC1	2241473544	MHFOERJELIBUGB-ZCFIWIBFSA-N	201.006	-0.436	50	10	BBGE	
C[C@]1(NC(=O)CBr)CCNC1=O	2242168108	JVFAVDICIILNFT-ZETCQYMHSA-N	235.081	-0.224	50	10	BBGE	
CC(C)(CN1CC[C@]2(O)C[C@H]2C1)C(=O)NN	2242809497	OUDSMKODBOGCKK-KWQFWETISA-N	227.308	-0.541	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2243362235	OCSVMTDFXVMPQK-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363614	JORTVMGUUIXALY-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CC(C)N(C)C(=O)c1cc(B(O)O)cn1C	2243367298	QOLBKVLCKYJPCW-UHFFFAOYSA-N	224.069	-0.815	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)sn2)CC1	2243377621	DCBLWFITNDSVNX-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NOCCF	2243386404	ZPQBTRASPNXHFA-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
CCn1cnc(NC(=O)[C@H]2C[C@H]2B(O)O)c1	2243391930	PDABDBLLUGADHH-NKWVEPMBSA-N	223.041	-0.296	50	10	BBGE	
C[C@H]1CCC[C@H]1CN(C)C(=O)C#CB(O)O	2243401227	OGONVWBEGLNCHR-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1C(=O)C1(B(O)O)CC1	2243408253	JVYMCXLZHWDVMO-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2243409982	SKAVRCVDRQWXEW-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
Cc1ccnc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2243420139	NERASGVDMKAOIE-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
CC(C)(F)C(=O)NCc1cc(B(O)O)cs1	2243684834	HUVLJLDRVMQHNO-UHFFFAOYSA-N	245.084	-0.208	50	10	BBGE	
CC#CCC(=O)Nc1cccc(B(O)O)n1	2243715824	DYFMKLRKYQVSLH-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
CO[C@H]1C(=O)NC(=O)N([C@H]2C[C@H](Cl)C2)C1=O	2244014331	CTNCVVUATJBPSC-ZLUOBGJFSA-N	246.650	-0.150	50	10	BBGE	
C[C@H](N)CCOc1cc(B(O)O)c(Cl)cn1	2245913865	ZJEUNYWXTQLLMI-LURJTMIESA-N	244.487	-0.469	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H](F)[C@H](F)C1	2247737232	FDNCHNBQMFSZMM-OLQVQODUSA-N	244.990	-0.909	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1ccc(B(O)O)o1	2247738478	QSKUSUBXRUKYSP-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CC1CCN(C(=O)c2ccoc2B(O)O)CC1	2247740491	LJEOJBUOGDBCJW-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccc(B(O)O)s1	2247743148	ZKVYVDSQXJCPCW-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
CC(C)(C)[C@@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2247744299	QSVAKAPGHRAYLV-MRVPVSSYSA-N	237.064	-0.577	50	10	BBGE	
O=C(N1CCC[C@H]1CCCO)C1(B(O)O)CC1	2247755588	KLKCPNGRQTWUOK-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247796812	CYAGMYBYEUJIHY-WLRJLXCNSA-N	239.080	-0.610	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2247799812	IMSQTJMPDXVAMG-QEYWKRMJSA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@]12CCOC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247800360	OELWELBOXXPYDN-CDLYGTGVSA-N	239.080	-0.465	50	10	BBGE	
CC(C)[C@@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805461	BRXNNQKERGUWLF-FXPVBKGRSA-N	243.112	-0.237	50	10	BBGE	
CC(C)OCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810450	XNGMOQXZDJNOCB-UWVGGRQHSA-N	241.096	-0.267	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)C#CB(O)O)CC12CCC2	2247847853	CJLSEFLJTMZOJF-PSASIEDQSA-N	237.064	-0.924	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247855000	MASFHYQDMKVLFS-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247871679	FZJBHASWWABSMC-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2occc2B(O)O)C1(F)F	2247877748	JTLVHMICRJNORO-MHTLYPKNSA-N	244.990	-0.657	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)C(=O)C1(B(O)O)CC1	2247878157	LVPNFVZDTXYWKH-WCBMZHEXSA-N	239.080	-0.512	50	10	BBGE	
Cc1oncc1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247895785	VIOMOKMYAGTNQN-RKDXNWHRSA-N	238.052	-0.495	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247895853	BTKRSDUAVAGHSF-BCMRRPTOSA-N	241.096	-0.483	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2247899694	PLFLQTPSYAJDBD-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CN[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900383	WJMMDFGZALYXQC-CIUDSAMLSA-N	240.112	-0.646	50	10	BBGE	
C[C@]12C[C@](CNC(=O)[C@H]3C[C@@H]3B(O)O)(CO1)C2	2247900729	ZDKZANCYYFTVQG-MPKXCIJOSA-N	239.080	-0.465	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248586696	FXABQQZTFGWYDL-PRJMDXOYSA-N	241.052	-0.828	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1C[C@@H](C(=O)O)C1	2248590339	CJFQXZDFMMKSCF-ULAWRXDQSA-N	241.052	-0.829	50	10	BBGE	
Cc1nc(C(=O)N2CCC(B(O)O)CC2)n[nH]1	2249345113	GNTFTDLAAOGNSN-UHFFFAOYSA-N	238.056	-0.808	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1cocc1B(O)O	2249408139	DWZSJJZAIJICNM-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
O=C(NC12COCC(C1)C2)[C@H]1C[C@H](B(O)O)C1	2250900656	YKQSJUXPPVBNHC-RDDJWAPESA-N	239.080	-0.465	50	10	BBGE	
N#CC1(O)CCN(C(=O)C(N)(CF)CF)CC1	2252800472	KCXJRAKJKOHELG-UHFFFAOYSA-N	247.245	-0.500	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1ccncc1B(O)O	2255449499	NWBIWFGHRXOBDE-PRHODGIISA-N	248.091	-0.463	50	10	BBGE	
Cc1nnccc1NC(=O)c1coc(B(O)O)c1	2255457407	CNBMVMKIFMLBJI-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	2255469017	JQWMBNOMIHHAFH-PZWNZHSQSA-N	247.103	-0.057	50	10	BBGE	
C#CCN(C(=O)c1occc1B(O)O)C(C)(C)C	2255484092	HZDSBNOHYJOXFD-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
O=C(Nc1ncccc1F)c1occc1B(O)O	2255490299	GSRPPTRQOVOMEC-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(C)cc(B(O)O)c1	2255510010	RFIBBCOPUNJFJZ-GFCCVEGCSA-N	243.071	-0.477	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255549799	TZOCREDFCQBBOU-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
Cc1cccc(NC(=O)c2n[nH]cc2B(O)O)c1	2255552779	PMHUICFKETVPAI-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#C[C@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255576485	GSSLGXPPXXVLLD-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
NC(=O)Nc1ccc(NC(=O)C#CB(O)O)cc1	2255672223	CQXDDRRRZDZNBN-UHFFFAOYSA-N	247.019	-0.869	50	10	BBGE	
Cc1ccncc1NC(=O)c1occc1B(O)O	2255685420	ABFISLPSJONELV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)c1	2255769695	PVKLXBDIWSUWHO-DTWKUNHWSA-N	248.047	-0.413	50	10	BBGE	
O=C(N[C@H](CO)c1ccccc1)[C@H]1C[C@@H]1B(O)O	2255775898	YLAMOEUECHILBR-GARJFASQSA-N	249.075	-0.301	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369531	XRFXOEOTUUUKBB-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
CC[C@H](O)CN(CCC(=O)NN)C[C@@H](O)CC	2299155012	HUCHETSIEAPTCP-UWVGGRQHSA-N	247.339	-0.790	50	10	BBGE	
CN1CC(COCCC[C@@H]2C[C@H]2C(=O)NN)C1	2300355275	ATZMLWPMQGVKAH-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](C1)NC2)[C@@H]1C[C@H]1B(O)O	2300828788	QNWOKBWLSKMZOA-SJQPAMGKSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](COC[C@H]1COC(C)(C)CO1)C(=O)NN	2301605578	NXFZSSZDKPIQLR-IUCAKERBSA-N	246.307	-0.177	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303113353	ZWUJTSBLMZYXGR-PRJMDXOYSA-N	241.052	-0.828	50	10	BBGE	
CCN1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	2307777021	AXPINNPQPVZDAM-IUCAKERBSA-N	240.307	-0.240	50	10	BBGE	
CCCNC=C(C#N)C(=O)N[C@H](C)C(=O)O	2324967063	UBDRATXQLXGWLM-SSDOTTSWSA-N	225.248	-0.017	50	10	BBGE	
NC(=S)NNC(=O)[C@H](N)Cc1ccccc1	56687942	WZZMYJOFEWJVSZ-MRVPVSSYSA-N	238.316	-0.579	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H](CO)C1	82465820	DLPRPZJCUAHZMI-UWVGGRQHSA-N	229.324	-0.295	50	10	BBGE	
CCN1CCN([C@H](C)CCC(=O)NN)CC1	82466007	QCBQOGHRVVXEBJ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@H]1COCCN1C[C@@H](C)C(=O)NN	82468032	FYCWUVMWZQCOGJ-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnn(C)c1	82470440	NGKHQMKFXZPJRS-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCNCC1	82470532	DKQSUBIORLDMHE-SECBINFHSA-N	214.313	-0.704	50	10	BBGE	
CCCO[C@H]1CCCN(CC(=O)NN)C1	82470819	AQFMEECRDKCIRJ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)CCCl	85087004	APYUIKXKCCYYDA-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
C[C@H](NC(N)=O)C(=O)NNC(=O)CC(C)(C)C	103198866	CBPNODHHFNDDQR-LURJTMIESA-N	244.295	-0.373	50	10	BBGE	
CN1C(=O)N=C(N)[C@@H](Br)[C@@H]1O	197856543	CZAIPGUEWQIKRG-FONMRSAGSA-N	222.042	-0.509	50	10	BBGE	
N#Cc1ccc(-n2nccc2B(O)O)cc1	203651467	KOVPRFKSSDHHJV-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
CC(C)N/C=C(/C#N)C(=O)N1CCNCC1	216963582	SKVAXCLEEVNYDN-NTMALXAHSA-N	222.292	-0.176	50	10	BBGE	
OB(O)c1ccc(OCc2ncn[nH]2)cc1	221617996	KRARWWSJJWTCOO-UHFFFAOYSA-N	219.009	-0.937	50	10	BBGE	
COC[C@@H](C)O[C@H](COC)C(=O)NN	232418419	UOTGZKWSXCNENR-RNFRBKRXSA-N	206.242	-0.957	50	10	BBGE	
OB(O)c1ccc(Br)c(O)c1F	238619948	CRNKWHZXFHIIJQ-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
OB(O)c1cnc(N2CCCCC2)s1	306369889	BYMFJNVSZJSEGY-UHFFFAOYSA-N	212.083	-0.187	50	10	BBGE	
OB(O)c1cc(O)cc(F)c1Br	307225122	CHXNNGXBVDTWHT-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(CN1C[C@@H](O)CO1)NNc1ccccn1	310193793	YZHPVFPVTIZFNG-MRVPVSSYSA-N	238.247	-0.867	50	10	BBGE	
Cn1cc([C@H]2CCCN2C(=O)C(=O)NN)cn1	383699732	SBTPHJWTAVGDAD-MRVPVSSYSA-N	237.263	-0.927	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F	383718047	YPGSJNJFMFWNLO-YUMQZZPRSA-N	248.997	-0.711	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1N(C)CCC(=O)NN	688168848	GGKGKHBBYPFQKC-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)CC(=O)NN)CO1	688489946	YDXBWVRSVCIBSI-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)C[C@@H](O)CN(C)C	690197938	FGXQIWXRYVDMMD-SFYZADRCSA-N	222.716	-0.005	50	10	BBGE	
Cc1cc(OCc2nncn2C)ccc1B(O)O	690856433	FESCNWPQIJJRGE-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C1CN(CCCN2CCC2)CC(=O)O1	697845786	QLJIWIYVTXKMRA-UHFFFAOYSA-N	212.249	-0.532	50	10	BBGE	
C#CCN(C)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703425467	PGPRJYJIPREECQ-UWVGGRQHSA-N	236.271	-0.532	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCn1cnnc1	707426563	VRSHFAKPMFBBEF-SECBINFHSA-N	240.311	-0.776	50	10	BBGE	
CC(C)C1(O)CCN([C@@H](C)C(=O)NN)CC1	710247952	YDHWAJQFBKAOQP-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1cn(CCOC2CC2)nn1	713290820	KVCCUFFHHPSAME-UHFFFAOYSA-N	211.225	-0.939	50	10	BBGE	
CCn1nnnc1CNC[C@@H](Cl)CN(C)C	717368214	QWZDMCSVRXIXKO-MRVPVSSYSA-N	246.746	-0.048	50	10	BBGE	
CN1CC[C@@H]2CC[C@H](C1)N2CCC(=O)NN	718901268	GEOZTBXWSKCVKX-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
CC(CCO)=NNC(=O)[C@@H]1COCCO1	749861213	JEMOPVGPMCMOIB-QMMMGPOBSA-N	216.237	-0.724	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)NC(C)C	865041557	AJUJOEHFNUPGEC-PLNGDYQASA-N	215.253	-0.072	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)c1cnn[nH]1	865181918	LRMBSIZSLGGOLH-HYXAFXHYSA-N	227.199	-0.171	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NN(C)C(N)=O	907189505	ZBDXJQLOXZFESN-LYFYHCNISA-N	215.253	-0.301	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C#N)CCCOC1	910181179	CSGXAOIXQDIASU-MWLCHTKSSA-N	241.291	-0.349	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H]2C[C@H]21	1260932651	GFUJHELYKYSSCV-PHDIDXHHSA-N	211.670	-0.014	50	10	BBGE	
Cn1cc(CNC(=O)NNc2ncccn2)nn1	1261508257	BPSIKMVGSXINRG-UHFFFAOYSA-N	248.250	-0.569	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NCCCCF	1324013400	VOKRQXMZKDEVMH-UHFFFAOYSA-N	235.215	-0.761	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnn(C)c1OC	1442294532	GNYWOAUSQYFTMI-UHFFFAOYSA-N	241.251	-0.607	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)Cc2ncc[nH]2)n[nH]1	1466571834	ZQGAJJOTHHRSAR-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccnnc1	1626756678	WPLKJOTXQKOTRH-JTQLQIEISA-N	236.231	-0.825	50	10	BBGE	
O=C(F)NCCNS(=O)(=O)C1CC1	1882783593	HLTJMYFMULESBZ-UHFFFAOYSA-N	210.230	-0.253	50	10	BBGE	
NS(=O)(=O)C1CCN(C(=O)F)CC1	1882787495	MUZTWYZPMSMENU-UHFFFAOYSA-N	210.230	-0.171	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)NC1CC(Cl)C1	1887284063	WISVCVORMJURCW-AHXFUIDQSA-N	220.700	-0.029	50	10	BBGE	
CC1(C)C[C@@H](O)[C@@H](O)CN1C(=O)CCl	1887702907	CQMUBUHCUCHVEJ-RQJHMYQMSA-N	221.684	-0.042	50	10	BBGE	
CC1(C)C(=O)NCCCN1C(=O)NN	1890834270	WJOXHNBZQDSSON-UHFFFAOYSA-N	200.242	-0.830	50	10	BBGE	
C[C@H](O[C@@H]1COCC1(F)F)C(=O)NN	1893364354	NDQQVQDZTOGXOJ-CRCLSJGQSA-N	210.180	-0.585	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CCC[C@@H]21	1893851918	JHYDLUMCKATDAX-CSMHCCOUSA-N	211.265	-0.234	50	10	BBGE	
C[C@H]1COCC(=O)N1[C@@H](C)CC(=O)NN	1893864190	MORBTTSCFLHHRL-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@H]1C1CC1	1896248518	CKBNPLSJUDHSKX-BCMRRPTOSA-N	227.308	-0.400	50	10	BBGE	
CN(C)CCOCCC[C@@H]1C[C@@H]1C(=O)NN	1900496327	SVGXSGICGBLOIX-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](N)[C@@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901349304	XQPIFEKADHGFIB-RNFRBKRXSA-N	249.336	-0.575	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCOC(F)F	1902281515	FEWPVXWKAXDDLS-RXMQYKEDSA-N	211.212	-0.464	50	10	BBGE	
CN1CCC[C@@H](N2CC[C@H](B(O)O)C2)C1=O	1902515248	DLXYYTSZRRVPMF-DTWKUNHWSA-N	226.085	-0.844	50	10	BBGE	
CC[C@](C)(Cn1ccncc1=O)C(=O)NN	1902718918	AJGPYTPICSOBTB-SNVBAGLBSA-N	224.264	-0.351	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H](F)C2)ncc1F	1903005415	GUKACYSTLNACTQ-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1905755253	SRWOCNYPEYVVJO-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CC[S@](C)(=O)=NCc1cc(C(=O)NN)no1	1913887720	GNUHGFMICGHWMU-INIZCTEOSA-N	246.292	-0.104	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914397429	YTQLTXOOSIBZEK-SFYZADRCSA-N	213.281	-0.646	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C(C)(C)C(N)=O	1915525597	YQRCVAQZDZQCRE-RNFRBKRXSA-N	230.312	-0.803	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCCC[C@H]2C1=O	1928024660	PWDKSPTWPGZZTN-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
Cc1cc(O)ccc1C(=O)NNCCO	1929836248	GNYUVQYNNNNMBK-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
OCC[C@@H]1CN(C[C@H](O)CCl)C[C@@H]1CO	1930350706	AFTAJIADGBAWSB-OPRDCNLKSA-N	237.727	-0.491	50	10	BBGE	
CC(C)n1nccc1C(=O)NNC(N)=O	1930806330	IIIANCHJPQRMGN-UHFFFAOYSA-N	211.225	-0.223	50	10	BBGE	
CN(C[C@@H](O)CCl)C1CS(=O)(=O)C1	1932007250	MRSQNISETHQCEI-ZETCQYMHSA-N	227.713	-0.685	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)CC(=O)NN	1932222924	YZESTPKWKWRSLT-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N1CC(=O)OC(=O)C1	1932302676	BXDACTJNDALULB-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[S@@](=O)CC1	1936090461	HZRIMARKASLYKU-AGRCIMAESA-N	245.348	-0.933	50	10	BBGE	
C[C@]1(C#N)CCN(CCOCC(=O)NN)C1	1936530066	PGIJTVTUCVUDKV-SNVBAGLBSA-N	226.280	-0.772	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H]1COC[C@@H]1Cl	1939166043	GMWLMVCCLUHNAB-RQJHMYQMSA-N	245.670	-0.957	50	10	BBGE	
CCN(C)CCOc1cc(F)cc(B(O)O)c1	1943946701	XNQLSPKQNBJZDZ-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
CC(C)(C)[C@]1(C)CN(C(=O)C(=O)NN)CCO1	1947285633	OAWSPPSQYYYLCX-NSHDSACASA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC2(CCO2)CC1	1950986519	UTTRRYJMABPAIL-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@H](O)C#N)cn1	1952996097	MFIXAVSWJDEJRY-RKDXNWHRSA-N	221.216	-0.248	50	10	BBGE	
CS(=O)(=O)N1C[C@H](Cl)[C@H]2COC[C@@H]21	1954368872	RGIQIKZYHOUMDN-VQVTYTSYSA-N	225.697	-0.116	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@@H](CO)CO1	1955106218	JMHWILBMCUNNRD-NKWVEPMBSA-N	243.712	-0.501	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)NN(C)C	1956060027	UHVLUGSCFMUFOB-HTQZYQBOSA-N	200.286	-0.145	50	10	BBGE	
N[C@H]1CCN(CC(=O)NCC(Cl)Cl)C1	1956719709	BORSAOWAPRQSMT-LURJTMIESA-N	240.134	-0.061	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1CCOCC(=O)NN	1958677608	NQHXMKNNOHJKGL-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
C[C@]1(C(=O)NCB(O)O)CCCC1(F)F	1960754307	NWZXAWZDWFTKQP-SSDOTTSWSA-N	221.012	-0.060	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C[C@H](C)C1	1976441199	MRNZGMJJQWIAQE-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
COC1(CN(C)C(=O)C(=O)NN)CCCC1	1979281596	VRPUZJDSXKWRCR-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1csc(C(=O)NN)c1	1985745794	XBGZZVSNEWCODM-POYBYMJQSA-N	241.316	-0.083	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(O)c(N)c1	1989371746	ZFNNOUYOBMCTRQ-UHFFFAOYSA-N	245.260	-0.696	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC(F)(F)C(=O)NN	1990039776	VCMMFOWYONSUEM-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
O=C(Cc1ccccn1)NCC=CB(O)O	1991332406	ARHGMVBMBYFKEK-UHFFFAOYSA-N	220.037	-0.692	50	10	BBGE	
C=C(CN1CCOCC[C@@H]1COC)B(O)O	1992160573	YHHJTBTVTQUNHR-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
O=C(CC(F)F)Nc1cccc(B(O)O)n1	1992783147	TYEXYUUMSFDTKK-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCC2(CC2)CO1	1994631503	WECWFCUQBCLKKA-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NC(=O)NNC(=O)C1C[C@H]2COC[C@H](C1)C2	1995151756	FTRFLSAVAQGJSO-BQBZGAKWSA-N	227.264	-0.251	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1997188719	LNHBEAORDNTCGK-KZVJFYERSA-N	237.303	-0.131	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1	1998066443	RHWMMEBXZJQHBF-XVKPBYJWSA-N	243.263	-0.794	50	10	BBGE	
CCC[C@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1998131232	SSNOEKROPZXQOI-BQBZGAKWSA-N	246.072	-0.600	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(n2ccnn2)CC1	2004032670	WKRDECJJAGZTGF-MRVPVSSYSA-N	238.295	-0.707	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]([C@H]2CCOC2)C1	2004396111	JFNDMJNRIVUTKC-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CCCO2)C1	2004934165	CLLNZZISTLKTGP-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@@]2(C)C1	2005017801	KJRYKKSUBREMQR-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	2006198809	MVHGBCUYRPJHKN-MIMYLULJSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CN1CCO[C@@H]2COC[C@H]21)C(=O)NN	2017524664	GXJXBIXYPBYVNM-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
OB(O)c1ccccc1OC[C@]12C[C@H](CO1)C2	2018462918	ZJAAXNFBFXBHKI-WVSHTKLVSA-N	234.060	-0.076	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CCCOC1	2020060688	CKDFEUDTCCERCP-WPRPVWTQSA-N	239.080	-0.370	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NCC=CB(O)O)(CO1)C2	2020063922	ZXXPGMNNYYBOJY-QWRGUYRKSA-N	239.080	-0.370	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	2026300270	YSMOFUPKWDYHAC-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC1)CC(=O)N2	2026529954	VRPUJPIDONNXHP-UHFFFAOYSA-N	240.307	-0.889	50	10	BBGE	
CN(Cc1ccccn1)c1ncccc1B(O)O	2052492914	WQIVDYQGRKFMEH-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
Cc1nc(N2C[C@H]3CCC[C@H]2C3)ncc1B(O)O	2052555994	GSGZMPTXLYIHCW-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@]32C)n1	2052624804	UOZOEBMFAXOTBK-BXKDBHETSA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1ccc(OCc2cncnc2)cc1F	2058407940	JJXNXQHGEDZFRJ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCOc1cc(B(O)O)cc(OC)c1OC	2060044992	VYTNZEICXRJWJG-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
N#Cc1c(C=O)ccc(Cl)c1B(O)O	2060093058	MHXRXHQUOBDZFK-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1cc(B(O)O)cc(C#N)c1[N+](=O)[O-]	2060304271	JRGSQWGRNGSALT-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
C[C@]12CO[C@](Cn3cccc(B(O)O)c3=O)(C1)C2	2073846117	KEWMDFHYHQEMJZ-TXEJJXNPSA-N	249.075	-0.903	50	10	BBGE	
NNC(=O)NC[C@H](F)C1CCOCC1	2209979203	FDBBJBLPQJNTGE-ZETCQYMHSA-N	205.233	-0.076	50	10	BBGE	
COc1ncc(CN(C)CCC(=O)NN)s1	2212569973	ZOCASAWQXMGXQO-UHFFFAOYSA-N	244.320	-0.037	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1ccc(B(O)O)cn1	2212603739	QULANZFDCYSQFJ-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
CC[C@@H](CN)Oc1nccc(B(O)O)c1F	2212612517	LHOWKHLOGWUEEK-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
Cc1cccn(Cc2cscc2B(O)O)c1=O	2214603710	UNGMPXKDHMMREH-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CO1	2217178537	XIYIOFSBVGLQTQ-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CCOC[C@@H](C)Nc1nccc(B(O)O)c1F	2217182879	DGGILOHFMSYZKU-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](O)C2)cc1B(O)O	2217184811	WPHLMTGTEZXQMQ-SECBINFHSA-N	236.080	-0.969	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cn2)CCOCC1	2217194538	ASTFQCZUZCWPEY-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cn2)C[C@H](N)C1	2217195309	IOEFMNXBPUPJMQ-HOMQSWHASA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1CC[C@H](CNc2cc(B(O)O)ccn2)O1	2217198520	CBDNCXXXEXRJIZ-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1c1ncccc1B(O)O	2217198574	CVROYNSRYPPTJU-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncc(B(O)O)cn2)[C@@H](C)O1	2217200455	TXPBYRYETFZWSW-ZXFLCMHBSA-N	237.068	-0.866	50	10	BBGE	
CC[C@@]1(O)CCN(c2ccc(B(O)O)cn2)C1	2217204481	KJAQXZFGHUZLOJ-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CN(Cc1cccnn1)C[C@H]1CC[C@@H]1C(=O)NN	2221573138	PPXGBOCIHNMWHH-KOLCDFICSA-N	249.318	-0.076	50	10	BBGE	
OB(O)c1cnc(=NCC2CCC=CCC2)[nH]c1	2223635357	WGXRITYEMDTWRU-UHFFFAOYSA-N	247.107	-0.263	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3CNC[C@H]32)c1	2223654888	UBGDALLQAGKXJR-JMJZKYOTSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)c1	2223662167	SMWSQOZNVRREOD-ZYLJGPGZSA-N	243.071	-0.350	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1Nc1ncccc1B(O)O	2223671879	BPQNNWQSKAYQDD-RKDXNWHRSA-N	249.123	-0.583	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2OCCC[C@@H]12	2223675287	QPTMLUYJECGMKJ-JMJZKYOTSA-N	248.091	-0.259	50	10	BBGE	
C[C@H](F)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2241495656	LHRLRRJUYNZUMK-ACZMJKKPSA-N	203.022	-0.286	50	10	BBGE	
O=C(CCCCl)N1CC[C@@H]1[C@H](O)CO	2241811009	KWQHJLBWEOTEJD-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]1[C@H](O)CO	2241829178	YVLYAPMCAPLIAX-XLPZGREQSA-N	204.657	-0.455	50	10	BBGE	
C#C[C@@H](NC(=O)C#CB(O)O)C1CCCC1	2243349254	INSFFWYSBTYLJC-SNVBAGLBSA-N	219.049	-0.690	50	10	BBGE	
O=C(NC1CC(F)C1)c1csc(B(O)O)c1	2243356884	OEUXZMDLHFPPRC-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CCCCN1	2243359320	QUOULZZDVDZUSD-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2243365432	MNFCEMZXABOSFG-YUMQZZPRSA-N	226.085	-0.621	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CCC1	2243374770	JXMZKTZULZBPBK-UHFFFAOYSA-N	222.053	-0.966	50	10	BBGE	
CN(C)CC1(NC(=O)C2(B(O)O)CC2)CC1	2243397643	GMZZYFOKKJMZDX-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CC[C@@H](O)CCNC(=O)C1(B(O)O)CCC1	2243399090	WKTIYSHRDWMHCC-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
CCC(CC)N(CCO)C(=O)C#CB(O)O	2243400548	CXNNVPURWRDUHT-UHFFFAOYSA-N	227.069	-0.989	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@H]2C[C@@H]1C2	2243400875	JBHCSDDPZDDKCM-AEJSXWLSSA-N	221.065	-0.351	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@@H]1C[C@H]1C)B(O)O	2243412356	LJGDKFFAWZWFDJ-FTLITQJKSA-N	247.125	-0.482	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2243420436	SPAUDAWGUAGCBL-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CN(OCC(F)(F)F)C(=O)[C@H]1C[C@H]1B(O)O	2243427172	RHKMLKNOJKQCRY-CRCLSJGQSA-N	240.974	-0.198	50	10	BBGE	
C=C(CN1CCO[C@H](P(C)(C)=O)C1)B(O)O	2245221139	DVCIWHHRHMIYTM-SECBINFHSA-N	247.040	-0.164	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCN2)ncc1Cl	2245912662	DYHCAAQAWHVKJE-ZCFIWIBFSA-N	242.471	-0.845	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)[C@H]1C[C@H](B(O)O)C1	2246225029	QGSXBFYBFWRRIT-IWSPIJDZSA-N	227.069	-0.465	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccncc1B(O)O	2247732547	HFFGXZZYINXIIB-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
O=C(C#CB(O)O)N1CC=C(C(F)(F)F)CC1	2247743409	DAFZVPKNGICDHZ-UHFFFAOYSA-N	246.981	-0.277	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)C1(B(O)O)CCC1	2247753968	KQKHUHFWAHWVGB-SECBINFHSA-N	242.128	-0.127	50	10	BBGE	
CC=C1CN(C(=O)c2cncc(B(O)O)c2)C1	2247774589	AFJJJQXZODDVHR-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
O=C1CCCN1C(=O)c1ccccc1B(O)O	2247775077	GSGYKZZMPJAUAE-UHFFFAOYSA-N	233.032	-0.871	50	10	BBGE	
CC[C@@H](CCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787043	KFOLSMLMMZNPQT-AEJSXWLSSA-N	243.112	-0.093	50	10	BBGE	
COC[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799477	DMZZSJVEQJKDKE-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CCN1	2247807705	IWVWNKQFQFYLSI-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2247849523	AZBJQZLCNXMLAL-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CC1)c1ncc[nH]1	2247878466	KHXZROLJUKYHSO-ZETCQYMHSA-N	237.068	-0.016	50	10	BBGE	
Cn1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2247897958	YUQQHZQVHVRXAZ-DTORHVGOSA-N	237.068	-0.711	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899517	NTSBQHFVPBJLNM-DTWKUNHWSA-N	241.096	-0.125	50	10	BBGE	
N[C@H]1CCCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247903172	IWUPZCPVKMZAEB-QLEHZGMVSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H](CF)NC(=O)Nc1ccc(B(O)O)cc1	2247972509	HDTKNYQFAWRDPU-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
COC(C)(C)CNC(=O)c1cocc1B(O)O	2249415780	IUBLOSDNYPMEQH-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1cocc1B(O)O	2249418281	RDQFLHLVGZQRON-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1cc(B(O)O)co1	2249441061	SGLVNNPDYNTURV-CPCISQLKSA-N	235.048	-0.368	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cccnc1O	2250765886	VDSZJTDTRYTYMR-QMMMGPOBSA-N	238.291	-0.013	50	10	BBGE	
CO[C@@H](CNC(=O)C#CB(O)O)c1ccccc1	2255464289	UMIQYOGWUYANJQ-NSHDSACASA-N	247.059	-0.494	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC=CCC1	2255500520	KTHNOQAPPAAYEG-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1cccc(C(=O)NC[C@H](C)C#N)c1B(O)O	2255509663	NSMFIKPVMJAJNL-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1ccc(B(O)O)cn1	2255517515	CSPLCQJLWFBNDH-JTQLQIEISA-N	246.075	-0.400	50	10	BBGE	
C#CCCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2255673745	HLFRNQPTRMZJOA-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1cnoc1	2255682674	KMFMHTJSEVTERL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@@H]2C[C@H]2C1	2255722461	OSSGIWNBFUEQQT-SCZZXKLOSA-N	246.075	-0.757	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1nccnc1B(O)O	2256050593	CFWAIMYQJSVELI-YUMQZZPRSA-N	249.079	-0.831	50	10	BBGE	
O=C(NCCn1cccc1)c1cocc1B(O)O	2258130624	JOUWFSSDBQKVJE-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
COc1ccc(C(=O)NCCC#CB(O)O)cc1	2258953200	APDQNILZLYBNGH-UHFFFAOYSA-N	247.059	-0.170	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H](CO)c1ccccc1	2264304550	TVZZIKBRVMXYLW-LLVKDONJSA-N	247.059	-0.806	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CC[C@H]1OC	2298106812	KAVFRBWMUYREEC-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COCC[C@H]21)C1(B(O)O)CCC1	2298375182	WTGNCPMSOFXSPD-VGMNWLOBSA-N	239.080	-0.465	50	10	BBGE	
CC(=O)NC1CN([C@H](C)CCCC(=O)NN)C1	2302023354	OIZZPXBUBDPIRZ-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@@H]1N	2317167513	IHKGXNPUGWLNHC-KCJUWKMLSA-N	245.091	-0.979	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1ccc(B(O)O)cc1C#N	2317206294	MYROINYOSKTWQE-QMMMGPOBSA-N	248.091	-0.257	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnccn2)nc1O	22383385	HJNUJQVDGXYQPU-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
NNC(=O)CCS(=O)(=O)N1CCCCCC1	26468162	DTGGDWUBAPJOIO-UHFFFAOYSA-N	249.336	-0.428	50	10	BBGE	
CCCNC(=O)CN(C)C[C@@H](C)C(=O)NN	82469964	LIMVHAUSOUXQFW-MRVPVSSYSA-N	230.312	-0.930	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC(=O)NC(=O)C1	85085460	AAIAORVUVOQZJT-UHFFFAOYSA-N	232.667	-0.264	50	10	BBGE	
N#Cc1nccn1C[C@@H]1CC[C@@H](C(=O)NN)O1	94940826	MUQGEECCUPZEPL-YUMQZZPRSA-N	235.247	-0.708	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnn(C)c1	110593851	DRBHOYOUXQHPBE-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](CO)C1	159484213	PFVPFQHWWDYZGL-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)O1	159712853	HZYJAZLHQUMICD-JGVFFNPUSA-N	229.280	-0.737	50	10	BBGE	
NNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	220370137	YOFDQSMQMXEUBM-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
Cn1nnc(CN2CCO[C@@H](CCl)C2)n1	236093438	ICSICXSBHCAYJM-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
O[C@H]1CN(c2nnc(CCCl)o2)C[C@@H]1O	236620049	WLBDMTQHLHHCNI-WDSKDSINSA-N	233.655	-0.607	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCN1)c1ccc[nH]1	238102041	OMOSQUKJGAMCGO-MRVPVSSYSA-N	222.248	-0.472	50	10	BBGE	
NC(=O)NNC1(C(N)=O)CCCCC1	238590307	ZOKFEOYEFSOVRA-UHFFFAOYSA-N	200.242	-0.653	50	10	BBGE	
OB(O)c1ccc(C2CCNCC2)cc1	238644264	IEAWIBVPRZRIIF-UHFFFAOYSA-N	205.066	-0.167	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H](C(=O)NN)O2)CCO1	251577120	CFVGTCLRENNQKG-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H](C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1	258971529	IHJGPQPXWMZWFZ-RXMQYKEDSA-N	220.232	-0.050	50	10	BBGE	
Nc1cc2sc(B(O)O)cc2cc1O	306831207	KBEJALXCWAJWKB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CS(=O)(=O)N1CCOC[C@H](Cl)C1	307340956	JHPPALBDTBJMRD-ZCFIWIBFSA-N	213.686	-0.114	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)Cl	308466187	GKNNVNKQQPFWOG-SRQIZXRXSA-N	222.672	-0.381	50	10	BBGE	
CC(=O)NNC(=O)CCNCC(F)(F)F	309084701	VUOQFHCKOBLDTK-UHFFFAOYSA-N	227.186	-0.304	50	10	BBGE	
COc1ccc(B(O)O)c(C2OCCCO2)c1	310264393	BDSMQGCSQAWGKO-UHFFFAOYSA-N	238.048	-0.190	50	10	BBGE	
CN(CB(O)O)C(=O)[C@H](N)Cc1ccccc1	310404679	KDVOARBWNWWCAF-SNVBAGLBSA-N	236.080	-0.973	50	10	BBGE	
COc1ccc(B(O)O)c(CC(=O)CCl)c1	396018460	DAVVBBJLVZNXJT-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
NNc1ccc(B(O)O)cc1C(F)(F)F	396041500	PGWQNZUJQRQSSY-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
Nc1cc2cc(CO)cc(B(O)O)c2s1	396236469	BBPNLBAVKXMXPR-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1csc2ccc(B(O)O)c(O)c12	396340826	LUQUIVSZERJNKC-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N#C[C@@H]1CNN2C(=O)C[C@H](CCl)N[C@@H]12	575626724	JGQRVQHXWWULMC-ATRFCDNQSA-N	214.656	-0.600	50	10	BBGE	
CN1C2=CC(=O)C(=NNC(N)=O)C=C2C[C@@H]1O	575732353	PAMAFHWPAJOJTP-VIFPVBQESA-N	236.231	-0.942	50	10	BBGE	
CCOC[C@H](C)NCc1ccccc1B(O)O	585036158	AWJHYBCDTYVHKG-JTQLQIEISA-N	237.108	-0.119	50	10	BBGE	
C/C(=C\CN)C(=O)N1CCC(O)(C#N)CC1	692482335	YYZBOTLRUCWBIM-XNWCZRBMSA-N	223.276	-0.232	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](C#N)C1	693988265	XFWLGDSMFBXUCM-XHNCKOQMSA-N	210.281	-0.154	50	10	BBGE	
Cn1ccc(CC(=O)N2CCC(O)(C#N)CC2)n1	695412115	XMEFENRUIOMGOV-UHFFFAOYSA-N	248.286	-0.160	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@](C)(C(F)F)C1	698933655	WPFJWECLBOSMKI-IMTBSYHQSA-N	237.250	-0.279	50	10	BBGE	
CN(N)C(=O)C1CCN(C(=O)C2CC2)CC1	704680684	CXJAIPPFFAGEEN-UHFFFAOYSA-N	225.292	-0.033	50	10	BBGE	
C[C@H](CC(=O)NCB(O)O)C(F)(F)F	705538146	UKNFHANOSAFCTP-SCSAIBSYSA-N	212.964	-0.297	50	10	BBGE	
C[C@H](CN(C)C)Oc1cc(B(O)O)ccc1F	713939077	DHWQWWPMSYXULU-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
COC[C@@](C)(CO)NS(=O)(=O)CCCl	716813290	FPQFDRCSOGODCG-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
CN1CC[C@@H]2CC[C@H](C1)N2CC(=O)NN	718902566	OHYVDSJXRYDXCO-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)CCCN1CCS[C@H](CCO)C1	720090602	ONLPMNGUIOLROD-SECBINFHSA-N	247.364	-0.444	50	10	BBGE	
CN1CC(=O)OB(/C=C/CCl)OC(=O)C1	722001142	IEUJKWDPGKPCNW-NSCUHMNNSA-N	231.444	-0.159	50	10	BBGE	
O=CC1=C[C@H](N2CC(O)C2)C(=[N+]([O-])O)S1	725688901	TVRVBKFXVAPORY-ZETCQYMHSA-N	230.245	-0.841	50	10	BBGE	
O=C(CCCF)NNC(=O)[C@H]1COCCO1	829395544	VJDYPANXSDLQFC-SSDOTTSWSA-N	234.227	-0.701	50	10	BBGE	
CN1C[C@H](C(=O)N2CC=C(C#N)CC2)NC1=O	831488471	RQQQLFSHTPCRCI-SECBINFHSA-N	234.259	-0.308	50	10	BBGE	
CC[C@@H]1[C@@H](C(=O)NNc2nc[nH]n2)CCN1C	897777253	IWLKYJOTWFIRCR-JGVFFNPUSA-N	238.295	-0.022	50	10	BBGE	
C[C@@H](Oc1ccccn1)C(=O)NN(C)C(N)=O	1137623736	MXWSLJYWCKGBTN-SSDOTTSWSA-N	238.247	-0.109	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COC[C@@H]1F	1253594528	SYDSLUMNWPRWLS-NTSWFWBYSA-N	231.676	-0.119	50	10	BBGE	
Cc1nonc1CC(=O)NNC(=O)c1ccc[nH]1	1290261878	OMQPDMJYHPINAT-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCn2cncc2C1	1290392310	UTYMVJDUTOFYJW-QMMMGPOBSA-N	222.248	-0.387	50	10	BBGE	
C[C@H]1OC(=O)N[C@H]1C(=O)NN=c1cc[nH]cc1	1296236545	GVSMBGRQXZJTTF-HTRCEHHLSA-N	236.231	-0.557	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1334042149	ZWUJTSBLMZYXGR-BWZBUEFSSA-N	241.052	-0.828	50	10	BBGE	
COc1nccnc1NNC(=O)Cn1cncn1	1451566454	AYQKWRCGPOWNSG-UHFFFAOYSA-N	249.234	-0.780	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)ccc1F	1466524557	WRICFHLZRLWMPJ-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccc(C#N)nc1	1542262344	IGLKYDYWNWSRPC-UHFFFAOYSA-N	233.231	-0.544	50	10	BBGE	
CCNC(=O)NNC(=O)c1c(C)cnn1C	1543986162	UWAHZGYZPKIBDU-UHFFFAOYSA-N	225.252	-0.308	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C[C@H]1CCC(=O)NC1	1639064618	TXCAFEUJMNGHQS-RKDXNWHRSA-N	243.307	-0.754	50	10	BBGE	
CNNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC	1880023659	MULBQTQECJUFPQ-ZETCQYMHSA-N	247.295	-0.223	50	10	BBGE	
O=C(CCl)NC[C@]1(CO)CCCO1	1883300724	ZGGCSIHURGGQQH-QMMMGPOBSA-N	207.657	-0.117	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H]1Br	1883537893	NHCAKXQYCFWFCV-ZLUOBGJFSA-N	247.092	-0.144	50	10	BBGE	
NS(=O)(=O)N1CCCN(C(=O)F)CC1	1887173387	LSJPMLAFPWFRHB-UHFFFAOYSA-N	225.245	-0.713	50	10	BBGE	
COC[C@H](S[C@@H]1CC[C@H]1N)C(=O)NN	1887478078	GJYDOAQECYHZON-QYNIQEEDSA-N	219.310	-0.786	50	10	BBGE	
C#Cc1cc(CN)c(C)c(B(O)O)c1C	1887508010	YTPDLFMTRPLHGJ-UHFFFAOYSA-N	203.050	-0.577	50	10	BBGE	
CN(NC(=O)CC(C)(C)N)S(C)(=O)=O	1888605220	GIMUPELQZHUPLD-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
CO[C@@H](C)CCN1CC[C@@H](B(O)O)C1	1891586920	YQCRAWCTLFSXNR-DTWKUNHWSA-N	201.075	-0.040	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCCS1	1892920521	SGWYLIHYAJBJRY-ZETCQYMHSA-N	215.083	-0.434	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1893452090	BHYNMNPQXBSCGA-PRJMDXOYSA-N	220.700	-0.348	50	10	BBGE	
CC(C)(CN1C[C@@H](F)[C@H](CO)C1)C(=O)NN	1895511299	YKEIBPJHFWPNEG-JGVFFNPUSA-N	233.287	-0.735	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@H]2COC[C@@H]12	1897219800	XIMDZHNGYFYKBK-RNJXMRFFSA-N	245.662	-0.162	50	10	BBGE	
O=C(NCCC1CC1)c1cnsc1B(O)O	1900466017	ACWQZLFQAUBWNP-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1n1cc(B(O)O)cnc1=O	1901181871	UQDFDOJFMNKOQS-RNFRBKRXSA-N	222.053	-0.860	50	10	BBGE	
CN(NC(=O)[C@H]1CNC(C)(C)C1)S(C)(=O)=O	1901376135	WNLPKFDCMKVOPS-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2(COC2)C1	1901765890	WSFRUCQYBUDRAX-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CN(CCC(F)(F)C(=O)NN)C[C@@H]1O	1902154898	ZQJCBZDDNBPZOU-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
COC[C@H](CN1CC[C@@](C)(B(O)O)C1)OC	1902542186	WJLRBWSHGXCYDS-VHSXEESVSA-N	231.101	-0.413	50	10	BBGE	
N[C@H]1CCN(CC(=O)NC2CC(Cl)C2)C1	1909252320	VHLSUOBVVCANNA-MGURRDGZSA-N	231.727	-0.095	50	10	BBGE	
C[C@H]1CN(C[C@H](C)C(=O)NN)C(=O)C[C@@H](C)O1	1912248869	YKEPIPXHKTXAHX-YIZRAAEISA-N	243.307	-0.362	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H]1CCNC1=O	1916211559	GRIDKARLESNTFT-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
CN(CCN)CC(=O)N1CC=C(C#N)CC1	1917055095	SIZUNJYPLSIFSV-UHFFFAOYSA-N	222.292	-0.441	50	10	BBGE	
COc1nc(NN)nc(N2CC=C(C#N)CC2)n1	1917090538	OMAVGPWQRYEQDR-UHFFFAOYSA-N	247.262	-0.174	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)C2CNC2)CC1	1917091704	IOPOZGIMGLPHGY-UHFFFAOYSA-N	227.289	-0.556	50	10	BBGE	
C[C@H]1CNC[C@H]1N1CCC(O)(C#N)CC1	1926452522	VBEWRJVFZXFBBX-VHSXEESVSA-N	209.293	-0.055	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COC[C@@H]1Cl	1928685425	PURBIGCTLBVANN-BQBZGAKWSA-N	230.655	-0.600	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@H](F)C1	1929872333	NSHPPBBVVBDADL-UHNVWZDZSA-N	217.649	-0.473	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CNC(=O)C2)C1=O	1931734570	DRBNGIHJHHAFRH-MUWHJKNJSA-N	216.668	-0.038	50	10	BBGE	
COCCC1CN(CCCC(=O)NN)C1	1932058402	ZYQCKEDUHWMKBW-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	1932248711	MFUPYQRWTKPNDY-SDNRWEOFSA-N	209.293	-0.046	50	10	BBGE	
Cn1nnnc1[C@H]1CS(=O)(=O)C[C@@H]1Cl	1934445129	BTHUSORMKRLTOX-WHFBIAKZSA-N	236.684	-0.671	50	10	BBGE	
O=C1CN(CCO[C@H]2CCOC2)CC(=O)O1	1935613763	IDNQMPPOJUGRGS-QMMMGPOBSA-N	229.232	-0.823	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1936025888	HIZKTMZRJSWJCA-DJLDLDEBSA-N	233.287	-0.594	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C[C@H]1F	1937156668	ATHQLOIAJJBQMT-FNCVBFRFSA-N	231.271	-0.719	50	10	BBGE	
NNC(=O)C(=O)N1CCOCCC12CCC2	1939207676	PWHCUJQKXIUIMT-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@H]1C[C@@H]1C(=O)NN	1939641258	MNMKSISFCOCGLF-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@H]1CCCN1C	1941090006	YDOAEVKCISPKQN-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1CO	1941091231	WHZDTAGNGWVFFG-YTWAJWBKSA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@@H](O2)C1=O	1941095193	UHURDFCRYCRDCH-JQCXWYLXSA-N	239.275	-0.998	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC2(CCC2)C1)C(=O)NN	1946084365	SENWBCIYLAVHBJ-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC[C@H]1COCCN(CCOCC(=O)NN)C1	1948693675	KFHZUJJPLWJMBD-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
Cn1cccc(OCC(C)(C)C(=O)NN)c1=O	1950722341	OCDUGJUHTOWAFZ-UHFFFAOYSA-N	239.275	-0.220	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cc(O)c(O)c(O)c1	1952836225	JSTFLRBBFLNOBP-YUMQZZPRSA-N	210.189	-0.312	50	10	BBGE	
O=C(CCl)Cc1nc(O)nc(O)n1	1953067487	FTRQLYCKZUQIRB-UHFFFAOYSA-N	203.585	-0.367	50	10	BBGE	
CC(C)(F)[C@@](C)(F)C(=O)NCB(O)O	1956697130	WGVBBZDIUCLHON-ZETCQYMHSA-N	209.001	-0.409	50	10	BBGE	
NC(=O)NN=C1C[C@H]2CS(=O)(=O)C[C@@H]2C1	1958905433	HJOUIXJWSMFMIK-WDSKDSINSA-N	231.277	-0.535	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1	1961287916	CKFYPTALFLPQGH-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
CCc1noc(CN(C)CCC(=O)NN)n1	1976746561	VXHKXEKYLQOKRL-UHFFFAOYSA-N	227.268	-0.556	50	10	BBGE	
CN(C)C1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1976833377	PBYZPFRJAJUYDQ-IUCAKERBSA-N	226.324	-0.752	50	10	BBGE	
CO[C@H](C)[C@H](CC(=O)O)NC(=O)NN(C)C	1979148928	FABCTKBGZVFZCM-RQJHMYQMSA-N	233.268	-0.360	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1ncc[nH]c1=O	1979657674	IILUSGCPELXRTO-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
COC[C@H](C)Oc1nccc(C)c1B(O)O	1981425485	HETSDGZYRYFUMX-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
CC(=O)NNS(=O)(=O)N1CCC[C@@H](C#N)C1	1982309932	NERXQBVAMVBZEN-QMMMGPOBSA-N	246.292	-0.893	50	10	BBGE	
C#C[C@H](CCl)Nc1cc(=O)n(C)c(=O)n1C	1983008839	WPRQYJNKYGKFGY-SSDOTTSWSA-N	241.678	-0.264	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC12CC2	1984100751	ANAMZQLNQYXDLN-QMMMGPOBSA-N	219.049	-0.672	50	10	BBGE	
CC[C@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1984101917	PHRYARVXNVMQKM-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
C=C(Cl)COCCn1cc(C(=O)NN)nn1	1984161195	ZNBRJSSAIIQWBI-UHFFFAOYSA-N	245.670	-0.349	50	10	BBGE	
N#CC1(O)CCN(c2cnnc(=N)[nH]2)CC1	1986434072	RHALXAIAWUYKRG-UHFFFAOYSA-N	220.236	-0.861	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1C1(O)CC1)C(=O)NN	1987342900	ZWWPRPPXLZYGKW-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN(C)C(=O)CCN(C)C(=O)NC(=O)CCl	1987939750	CPHWYJHQHWATLL-UHFFFAOYSA-N	249.698	-0.129	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cscn1	1990774385	IGNKRQFSORJDFB-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
CC1(C)CC(S(=O)(=O)NCC=CB(O)O)C1	1991329066	VLLCIETWYBLARR-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
O=C(O)C(=O)N1CCN(C[C@H]2C[C@@H]2Cl)CC1	1991439468	SJFVOEXFSJROPJ-SFYZADRCSA-N	246.694	-0.158	50	10	BBGE	
C[C@@H]1OCC[C@@]1(O)CNC(=O)C=CC(=O)Cl	1991652928	SWJBKHPYUOLZIK-OIBJUYFYSA-N	247.678	-0.036	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)C1COCCOC1	1994116796	VLIAIYTWFLDRFM-DTWKUNHWSA-N	249.694	-0.228	50	10	BBGE	
CO[C@@H]1[C@H](N(C)CC(=O)NN)CC12CCC2	1995097791	NZRJQHQSJWUHBP-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
CC1(C)CO[C@H]1COc1cncc(B(O)O)c1	1998271074	RNERLMBDSCDQBL-JTQLQIEISA-N	237.064	-0.435	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3C[C@H]3C2)n1	2003510321	TVUBMDIXGXDRDO-YUMQZZPRSA-N	235.291	-0.525	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C)c1ncc(B(O)O)cn1	2004916143	IKWLOYSYBLHHJC-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1cncnc1N1CC2CC(F)(C2)C1	2004916952	RWLDCMZNSDUABJ-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
CO[C@@]1(C)CCN(c2ccc(B(O)O)cn2)C1	2004918702	OSDAYZORRYFKFF-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
Cc1ccnc(O[C@H]2COC[C@H]2C)c1B(O)O	2004925587	SCBFAVRXDOPJDE-BDAKNGLRSA-N	237.064	-0.516	50	10	BBGE	
Cc1nc(OC[C@H]2CCCO2)ccc1B(O)O	2004934477	FOKOJLYBOUIFOT-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
CCCc1cnn(-c2ccc(B(O)O)cn2)c1	2004990898	LNSDAJHOOZVLSV-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ncc(B(O)O)cc1F	2005013841	BOTBIOUESVCEMJ-POYBYMJQSA-N	242.034	-0.163	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@H]32)c(F)c1	2005015837	GKRDPUXVWQMWHX-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@@]3(C)C2)ncc1B(O)O	2005017152	AJVRAZUIAMMWLG-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
CC(C)(CCN1C[C@@H](F)[C@@H](CO)C1)C(=O)NN	2008032399	XQQCYGHZUULJQE-RKDXNWHRSA-N	247.314	-0.345	50	10	BBGE	
NNC(=O)CCN1C[C@H]2COCC[C@H]2CC1=O	2013041719	KZSVBVWHUQUERS-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
C[C@H]1CN(C[C@H](C)C(=O)NN)C(C)(C)C(=O)N1	2013377330	WTYRUWFMKCISQZ-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@H]21	2015989242	DNLBGOLFIHOCJT-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)[C@H](C)CO1	2019210730	OQHJALPADFJNEU-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
C#CCCN1CC[C@@H](N2CC(=O)OC(=O)C2)C1	2024487834	CRZFMELMDULMDY-SNVBAGLBSA-N	236.271	-0.531	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@@H]1CO	2025434007	WMWKJWFDAPFASI-LNFKQOIKSA-N	243.351	-0.049	50	10	BBGE	
Cc1ncc2c(n1)CN([C@H](C)CC(=O)NN)C2	2025608373	OOTHTASCYFVAQH-SSDOTTSWSA-N	235.291	-0.131	50	10	BBGE	
CCN(C)[C@H]1CCN(c2ccncc2B(O)O)C1	2052470575	GBGXBYAKCTUSMM-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
N#Cc1c(B(O)O)ccc(F)c1[N+](=O)[O-]	2060169339	IWPZALVYFIKNOL-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1c(B(O)O)ccc([N+](=O)[O-])c1C#N	2060307821	OCXSUQXAILJSAA-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CNCCCOc1cc(B(O)O)c(C)cn1	2212600056	RUOVXOOPGFAZMR-UHFFFAOYSA-N	224.069	-0.942	50	10	BBGE	
CC[C@H](CNc1ncccc1B(O)O)OC	2212605568	HEOBYAMDXIQBCS-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
C#C[C@@H](CCC)Nc1ccc(B(O)O)cn1	2212606023	NCAHPERSHDTANY-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1cc(B(O)O)ccn1	2212607250	IIMPLUVHLPKPJD-YUMQZZPRSA-N	224.069	-0.734	50	10	BBGE	
C#C[C@](C)(CC)Nc1cc(B(O)O)ccn1	2212615805	VDWSNQIWXXHMKE-LLVKDONJSA-N	218.065	-0.025	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@H]1CC[C@H]1C(=O)NN	2215773364	BADQWWKYYDDQOS-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216528078	LAHXIUKIBBDTBP-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(O[C@@H]2CNC2(C)C)cc1B(O)O	2217167855	VHGWBIGYWVRFAY-SECBINFHSA-N	236.080	-0.801	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ncc(B(O)O)cn2)CO1	2217176063	QWMXTGQNMFKJLG-APPZFPTMSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@@H]2CN)cc1B(O)O	2217181963	XNGJWIMDQBHORX-RKDXNWHRSA-N	235.096	-0.923	50	10	BBGE	
Cc1cnc(N2C[C@H](F)[C@@H](F)C2)cc1B(O)O	2217184753	VXXIOECFNYBBAG-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
Cc1c(Nc2cc(B(O)O)ccn2)cnn1C	2217185617	ZMSSGTFXXNDWDO-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
COC(C)(C)CCNc1cc(B(O)O)ccn1	2217196864	ISRCHHIZEBGSNP-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C=CCO[C@@H](C)CNc1ncccc1B(O)O	2217203798	AIMIWSKWCCZAIM-VIFPVBQESA-N	236.080	-0.236	50	10	BBGE	
C=C[C@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2217205223	VVEMOPBFNRHTNH-SNVBAGLBSA-N	233.080	-0.443	50	10	BBGE	
C#C[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217205305	XBOMAXDMZGLBQH-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
OC[C@H]1[C@H]2CN(Cc3cccc(B(O)O)c3)C[C@@H]12	2220071586	KXMPTRNSYMBZOY-CLLJXQQHSA-N	247.103	-0.964	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C12CC(CO1)C2	2223628052	ORRYVJOLMJYVQK-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@@H]1CN	2223637573	GCABTELWTWSBLZ-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H](C#N)CN(c1ccc(B(O)O)cn1)C1CC1	2223637611	GIMXHLMQIUUOLS-VIFPVBQESA-N	245.091	-0.110	50	10	BBGE	
Cc1cnc(N[C@H]2CCNC23CC3)cc1B(O)O	2223643624	YAHVLRXUGNVJOU-JTQLQIEISA-N	247.107	-0.624	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1B(O)O	2223651369	WPKVWGQDTSGXHT-IEBDPFPHSA-N	248.091	-0.341	50	10	BBGE	
O=C(CC1(O)CNC1)N[C@H]1C[C@H](Cl)C1	2241655818	RUMLCHNBCMEMFV-LJGSYFOKSA-N	218.684	-0.403	50	10	BBGE	
CCc1nc(CNC(=O)C#CB(O)O)cs1	2243350327	ZIIHGZMYRDCPTI-UHFFFAOYSA-N	238.077	-0.663	50	10	BBGE	
CO[C@H](C)CNC(=O)c1ccsc1B(O)O	2243359729	WUZXOQIUAGHWTC-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
O=C(NCC[C@H](O)C(F)F)C1(B(O)O)CC1	2243363985	PKZURSNXAOVNPH-YFKPBYRVSA-N	237.011	-0.874	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@H]1CO2	2243381839	JKHMWXGPSRTXGG-MAUMQABQSA-N	225.053	-0.761	50	10	BBGE	
O=C(NC[C@H]1CCCN1)C1CC(B(O)O)C1	2243391014	FIJPFPLYMKXWHL-AMDVSUOASA-N	226.085	-0.892	50	10	BBGE	
CN[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243396084	HFGOTCVDOUMZCZ-AMDVSUOASA-N	226.085	-0.940	50	10	BBGE	
O=C(NCc1cnsn1)[C@H]1C[C@H](B(O)O)C1	2243396482	MSSUTHHEECDEHP-IZLXSQMJSA-N	241.081	-0.593	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243397013	UHAUIOOXEXDQEC-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243399841	RFJLLTVXGAAQCD-MRVPVSSYSA-N	222.053	-0.777	50	10	BBGE	
CS[C@@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2243401187	NMZXHJCFVJGZJC-DTWKUNHWSA-N	241.121	-0.256	50	10	BBGE	
C#CCNC(=O)c1c(Cl)cccc1B(O)O	2243407904	BVVQRDKOAKPONE-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CCONC(=O)c1cc(C)cc(B(O)O)c1	2243409976	SIAOUTVAUCDJNK-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
C=CC[C@H]1CCN1S(=O)(=O)CC(=C)B(O)O	2243412868	VKPPGYNDZGQBSL-VIFPVBQESA-N	245.109	-0.465	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CCCCC1	2243415485	VYIZYZBOLVLJCS-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
CNCCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243420487	UFKWVYNJIKRCEM-KYZUINATSA-N	228.101	-0.693	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243426784	LWIDRUIWDYXTRO-XHNCKOQMSA-N	224.069	0.000	50	10	BBGE	
CC(C)c1nsc(CNC(=O)C(=O)NN)n1	2245553479	DWNPKPRYFLGVFK-UHFFFAOYSA-N	243.292	-0.732	50	10	BBGE	
O=C(NCC[C@H]1CCO1)[C@H]1C[C@@H](B(O)O)C1	2246206614	QGSXBFYBFWRRIT-YIZRAAEISA-N	227.069	-0.465	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cscc1B(O)O	2247735597	MQGUDFTWBBTWBS-MRVPVSSYSA-N	249.100	-0.334	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2247737871	LFXCGEZTEBBRFO-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)c1ncon1	2247751251	VIDMQWHDUJVWFW-LURJTMIESA-N	239.040	-0.704	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(B(O)O)c(F)c1	2247751673	AGROTPHREWNAMD-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H](C)F)c(B(O)O)c1	2247752548	REUFWRRBQNTYLC-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C#CCCNC(=O)c1ccc(F)c(B(O)O)c1	2247760173	CYXLLIGGJBCBAB-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CCOC(=O)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787263	MRNICYWROVNFGV-OCAPTIKFSA-N	243.068	-0.739	50	10	BBGE	
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247797244	HOZLHXHCVIABDL-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
C#CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247799010	ZAEMUPGVWMFYET-GUBZILKMSA-N	237.064	-0.900	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC(CCO)CC1	2247806398	FLDBJWPFGWZKOS-VHSXEESVSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCCN1C(=O)C#CB(O)O	2247850004	IQMLIRAKRROZNF-NXEZZACHSA-N	239.080	-0.846	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CN1C	2247855546	UKTMPUDNBQZNDS-RKDXNWHRSA-N	240.112	-0.456	50	10	BBGE	
CON(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCOCC1	2247859852	QFPOCGDECKESGC-RKDXNWHRSA-N	243.068	-0.582	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)c(F)c1	2247867420	DWPBBEBPQFHCNY-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
O=C(N1C[C@@H]2CC(O)C[C@H]2C1)C1(B(O)O)CC1	2247874957	VELQFKHYAOVFHP-YUMQZZPRSA-N	239.080	-0.777	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1occc1B(O)O	2247875591	YUGUMAWAHPGUBA-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
Cc1nnc(CN(C)C(=O)C2(B(O)O)CC2)o1	2247878254	MVRVXIMFBIYPLR-UHFFFAOYSA-N	239.040	-0.657	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)nn1C	2247886427	BNWOZBPNVXIBRZ-DTWKUNHWSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)[C@@H]1C[C@H]1B(O)O	2247887114	KHXHZZKEPQSZGQ-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
O=C1[C@H]2CC[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894903	LZIILFPTCUURJP-BGZDPUMWSA-N	237.064	-0.366	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1[C@H]2CO	2247909977	LPZXVJWBQNIWEY-RKWLFCDHSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)C1CC(B(O)O)C1	2247910284	OFRBKBIIQPJZCZ-SIVIVCJJSA-N	239.080	-0.467	50	10	BBGE	
CC(C)CN(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910469	POGSORNEXKHDOW-AOOOYVTPSA-N	243.112	-0.284	50	10	BBGE	
CCN(C(=O)c1nccnc1B(O)O)C(C)C	2248048090	JTQITBYZQMYMNG-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
COCCCCCOc1ncc(B(O)O)cn1	2249963171	QNGMBPAJOVPVBZ-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C(=O)[C@@H]2CCC[C@@H]21	2255452682	ATKWOOVWQGPAAI-SFYZADRCSA-N	249.031	-0.890	50	10	BBGE	
O=C(NCc1ccoc1)c1ncccc1B(O)O	2255520353	JSYMWNYAISSIFV-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CC1(NC(=O)c2cncc(B(O)O)c2)CCCC1	2255524295	WGZCNWVXFZKPFH-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1c[nH]nc1B(O)O	2255551564	ZIAIDMJPQCTMAU-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)[C@@H]1C[C@@H]1B(O)O	2255571350	OICLXVTYAXEHHK-XAVMHZPKSA-N	249.079	-0.365	50	10	BBGE	
O=C(NC12CCC(CC1)C2)c1c[nH]nc1B(O)O	2255580204	ZFNMZBCTHUYIJN-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nc1cn[nH]c1	2255719018	GSKDZVYOQODMDT-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1C[C@@H]2C[C@H]2C1	2255724975	SJUQVXKWGOMDPY-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
COC[C@@]1(C)C=CCN1c1cc(B(O)O)ccn1	2257126828	LGDPUOMYIVFYKF-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2258125058	LMUMAKJTWUWRKH-BRPSZJMVSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@@H]2C1	2258137603	YTAOZKWKMHNZEB-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
C=CC1CN(C(=O)c2c(C)cccc2B(O)O)C1	2261386244	MLZFIXVLYHQFED-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@]12CO)[C@@H]1C[C@H]1B(O)O	2298370375	XLJJBYQHUFJJNT-LPZLMQDUSA-N	239.080	-0.874	50	10	BBGE	
C[C@H]1CC[C@](CO)(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371513	NFLLFDQRRRYNEX-SJQPAMGKSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371678	RQSUNXLAVZAUSM-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CCNC12CCC2)[C@@H]1C[C@H]1B(O)O	2298377325	NCFPHBVWTHGHSI-HLTSFMKQSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1cocc1B(O)O	2298530527	QWJCCAJESOLEAH-FWWHASMVSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2CCCN(C)[C@@H]2C1	2299137430	QNGKWBGLDJJLDH-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2302049777	KMIRSIGBPVBLPY-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2302053805	XKNBNSBYRUFXLU-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC2COCCOC2)C1	2303150162	IITAZAQZYNAFQI-LLVKDONJSA-N	243.112	-0.412	50	10	BBGE	
NNC(=O)C1(CN2CCc3nccn3CC2)CC1	2315496481	RBLVGNDKNWOZIX-UHFFFAOYSA-N	249.318	-0.489	50	10	BBGE	
CCN(c1ccc(B(O)O)cc1C#N)C1CNC1	2317152826	GISFVZOGYOOQME-UHFFFAOYSA-N	245.091	-0.964	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(B(O)O)cc2C#N)CO1	2317206785	QFSHYPXRJQGPQE-GZMMTYOYSA-N	247.059	-0.206	50	10	BBGE	
CNC(=S)/C(C#N)=C(/N)N1CCOCC1	1388383	GLINEWRVFBKPBP-FPLPWBNLSA-N	226.305	-0.441	50	10	BBGE	
C[C@H](NCC(=O)NNc1ccccn1)C(=O)O	35387686	NLAQRTINWPXUKS-ZETCQYMHSA-N	238.247	-0.413	50	10	BBGE	
CCOCCCN[C@H](C)CC(=O)NN	58844584	FXRUBTYNRJCCRO-MRVPVSSYSA-N	203.286	-0.229	50	10	BBGE	
NC(=O)NNC(=O)[C@H](N)Cc1ccccc1	59978333	PMWPVSHTZHBVBG-MRVPVSSYSA-N	222.248	-0.744	50	10	BBGE	
N[C@H](C[C@H](Cl)S(=O)(=O)O)C(=O)O	118554312	SVVQYUQAAYWBGV-PWNYCUMCSA-N	217.630	-0.759	50	10	BBGE	
C[C@@H](CN(C)C(C)(C)CO)C(=O)NN	134189107	JDJFOJMQFTZTEU-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
CNC(=O)[C@H]1CCCN(C(=O)NN)C1	232296322	CBIBNKGXOQJUHE-LURJTMIESA-N	200.242	-0.972	50	10	BBGE	
C[C@H](CNS(=O)(=O)CCCl)[S@@](C)=O	232301386	YNOIUUOZHSMXRM-SREIQFSDSA-N	247.769	-0.088	50	10	BBGE	
CN/C(=N/S(=O)(=O)CCl)N(C)C	238314060	DUZKLTFYLVKWFK-UHFFFAOYSA-N	213.690	-0.351	50	10	BBGE	
NNC(=O)c1cccnc1CO[C@H]1CCOC1	302251683	AGBVUDQAUVUEOH-QMMMGPOBSA-N	237.259	-0.009	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)C(C)(C)C1	304580126	QNIRCPAIVNCFRA-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cc2c(O)csc2cc1O	306814861	BFAVPPCKHDWISR-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1nccc(C(F)(F)F)c1F	307013106	QSZXQAGAOIMVAM-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CC(=O)NN=CCCN1NC(=O)CCC1=O	309152733	ZUVIBTXEKITSGI-UHFFFAOYSA-N	226.236	-0.848	50	10	BBGE	
CC[C@H](C)OCOc1cncc(B(O)O)c1	309179887	CBQFKULETPMSGB-QMMMGPOBSA-N	225.053	-0.087	50	10	BBGE	
CO[C@@H]1COCC[C@H]1N1CC(=O)OC(=O)C1	310192910	XYZARMQOPDPSOV-HTQZYQBOSA-N	229.232	-0.824	50	10	BBGE	
CCN(CC)S(=O)(=O)NNC(C)=O	379417187	UBYOLQKYAAGONM-UHFFFAOYSA-N	209.271	-0.786	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCN(C)C1	381667535	VVVQCJQTYGNJOM-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC(=O)c1nc2c(B(O)O)cccc2o1	396119633	PVZIHGOYMXJLLK-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
N#CCCc1ccc(CC#N)c(B(O)O)c1	396140516	WNRZGUADDPTQDQ-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](CO)(OC)C1	402853656	OUJRCWDWBREGQW-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)[C@H](CC)CO1	403817763	MIFZHEPZTXKPHM-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnc(O)[nH]1	405066831	WGEYRZPSYUQPGV-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
O[C@@H]1C[C@@H]2CN(CCCl)CCN2C1	405219911	MDRDQAGCLOUCPT-RKDXNWHRSA-N	204.701	-0.024	50	10	BBGE	
CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)C#N	585005786	MEFPIQPENOFVKZ-VIFPVBQESA-N	246.075	-0.259	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@@H]21	685956739	IFBJDDWMGDVGNL-WDSKDSINSA-N	205.208	-0.294	50	10	BBGE	
OB(O)c1cnc2n[nH]c(C3CCC3)c2c1	687742723	XBTKLAYZTOAROQ-UHFFFAOYSA-N	217.037	-0.095	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cn(C)nn1	690442966	WJWBOZONJDRZGF-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
Cn1ccnc1COc1ccc(B(O)O)cc1	690875136	AMPAZLYJBJINHQ-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
COCC1(O)CN([C@H](CC(C)C)C(=O)NN)C1	695079319	FNRZHOBHELBVMG-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2CCCO2)c1	703718340	UHQWJKYMJVTOFR-VIFPVBQESA-N	210.042	-0.868	50	10	BBGE	
CN1CC(=O)N(CCCCl)C(=O)C1	708327091	XSYIHDXYQGJECK-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
N#CC1(O)CCN(c2ccnc(N)n2)CC1	709352380	DHNTZKNTVJIAHJ-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
C[C@@H](C(N)=O)N(C)Cc1cc(C(=O)NN)co1	711157552	KDKDDUXVMIGIFC-LURJTMIESA-N	240.263	-0.811	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3C[C@H]2CO3)n1	718288004	DGCRXIBSDLUFBV-UWVGGRQHSA-N	248.286	-0.342	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](O)[C@H]1C)C(=O)NN	718893010	MWWNWZFUQMDWPS-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C2(C)COC2)O1	862890634	JGWQAVVVORIVHW-HTQZYQBOSA-N	242.275	-0.262	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H]1COCCC1=O	862934686	SDVFKYJTDTYSQD-JGAIRUGNSA-N	238.243	-0.095	50	10	BBGE	
Cc1cn(C(C)(C)C(=O)NN(C)C(N)=O)cn1	897278834	ZVWTVOYATGOJFQ-UHFFFAOYSA-N	239.279	-0.032	50	10	BBGE	
CN(CCCl)[C@H]1CC[C@H]2NNC(=O)N2N1	953055362	MOLWDQOFWUNEGJ-BQBZGAKWSA-N	233.703	-0.363	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cc(N)ccn1	1632530716	QIIWPMAZKACUHQ-UHFFFAOYSA-N	237.263	-0.030	50	10	BBGE	
Cc1cc(C2(C(=O)NNC(=O)CO)CC2)on1	1641424777	YBBWRVBTJJOYKZ-UHFFFAOYSA-N	239.231	-0.846	50	10	BBGE	
Cc1nocc1C(=O)NNc1nc[nH]n1	1654622033	PUNWNPCZGHHBMA-UHFFFAOYSA-N	208.181	-0.142	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2Br)C(=O)CN1	1877379642	GTDXWTOUYLBKNH-PHDIDXHHSA-N	247.092	-0.272	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2NC(=O)O[C@H]2C1	1884553531	JOAUMFOTQJQRFD-ACZMJKKPSA-N	215.640	-0.090	50	10	BBGE	
CC[C@@H](OC[C@@H](C)N(C)C)C(=O)NN	1884726819	TVDGMBYXHDMGCA-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H]1C[C@]1(NC(=O)NN(C)C)C(=O)O	1885136040	VZFHKVHPYAIGJQ-SVGQVSJJSA-N	201.226	-0.375	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C1(Cl)CC1	1891517983	VPGOGKRSJJJMDC-ZCFIWIBFSA-N	217.461	-0.167	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCSC1	1892080799	KVEZRLLVSISUJZ-BQBZGAKWSA-N	201.295	-0.381	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1894910264	NNJLVVAXLZMDRO-IVZWLZJFSA-N	229.324	-0.439	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	1898238921	UPFXSMVWUXOFCS-YIZRAAEISA-N	227.308	-0.685	50	10	BBGE	
COCCNc1ccc(C=O)c(B(O)O)c1	1901238266	WBOQIAGSIXVQSY-UHFFFAOYSA-N	223.037	-0.763	50	10	BBGE	
COC(=O)Nc1ccc(OC)c(B(O)O)c1	1901348100	CBMVWAXDDLNWMH-UHFFFAOYSA-N	225.009	-0.447	50	10	BBGE	
CN(NC(=O)[C@H]1CCCCCN1)S(C)(=O)=O	1901374485	USCWDBGNSWEPEU-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
C[C@H]1CN(Cc2nc(B(O)O)cs2)CCO1	1902639674	UGLNDZYEQSPDEU-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCSC2)O1	1902760391	ZOOAXQLPESKTHN-RKDXNWHRSA-N	245.348	-0.080	50	10	BBGE	
CO[C@@H]1C[C@H]1COCc1ccccc1B(O)O	1910884705	GBQBZTNJECCAET-CMPLNLGQSA-N	236.076	-0.082	50	10	BBGE	
NNC(=O)C(=O)NCC(F)(F)C1CC1	1912691051	MQKVMKQSHAXRBQ-UHFFFAOYSA-N	207.180	-0.862	50	10	BBGE	
CC(C)CCN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1924521186	SKGNXSMAKRCWKB-WDEREUQCSA-N	243.351	-0.047	50	10	BBGE	
CC(C)n1nccc1C(=O)NCB(O)O	1927958019	SCXKZOABTOIXMV-UHFFFAOYSA-N	211.030	-0.794	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)c2cnn[nH]2)C1	1928753415	PXCADSCIWJXMDV-FSPLSTOPSA-N	229.671	-0.544	50	10	BBGE	
C[C@@H]1CCCN(C(=O)NNCCO)C1	1929841516	HRVHNGXXIIEJBK-MRVPVSSYSA-N	201.270	-0.075	50	10	BBGE	
C[C@]1(O)CON(C(=O)CBr)C1	1930278503	UEKQAYDOHRRLNC-ZCFIWIBFSA-N	224.054	-0.094	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H](O)CCC[C@H]2C1	1930983461	VXJXYDHCTXPCRH-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNCCO)S1	1931585458	QGZBWMCPVGBTJZ-RNFRBKRXSA-N	204.295	-0.116	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@@H](CO)C1	1933629881	HULYEMQKAQWMTQ-SSDOTTSWSA-N	243.712	-0.547	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC12CCC2	1934428635	AOJDQSDHUVWRKV-JGVFFNPUSA-N	213.281	-0.646	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COC[C@H]2C1	1935927885	GFQOLYRYTDUSKW-KNVOCYPGSA-N	235.234	-0.810	50	10	BBGE	
CCN(C[C@H](C)OC)CC(F)(F)C(=O)NN	1935941861	LMKKWLCIDZGNAY-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cnc(C2CC2)n1	1935942313	OQPVUTODPSSIKE-UHFFFAOYSA-N	231.206	-0.219	50	10	BBGE	
N#CC1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1936093174	BKEJZFUXBPHLRB-NXEZZACHSA-N	222.292	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C1CN(C)C1	1936505553	JAHOWIBCQPHBDP-SNVBAGLBSA-N	228.340	-0.363	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CO)C[C@H]1C	1939638545	OXDMNHPURNPFOK-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(B(O)O)sc1CNC(=O)N(C)C	1939864069	IUGFAJORPDNNSK-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(OCC(F)F)C1	1941084957	AVNOOUSJTZPXBW-SVRRBLITSA-N	249.261	-0.422	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCN1C	1941089596	WLGGSQHADJWPRC-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)CC[C@H]1O	1941784374	OIYLJBSLBIRCAY-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cncn1C	1944728877	XPOKHCAVQGMUJT-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
CC(C)CCS(=O)(=O)N1CC[C@H](B(O)O)C1	1951320140	DRLVAVKRVMXRTB-VIFPVBQESA-N	249.141	-0.089	50	10	BBGE	
COCC(C)(COC)[C@@H](N)[C@H](O)C#N	1952794399	PGLXAQMLJREACX-SFYZADRCSA-N	202.254	-0.503	50	10	BBGE	
OC[C@]1(O)CCN(C[C@H](O)CCl)C1	1954821814	FKULEILEJURAKA-SFYZADRCSA-N	209.673	-0.985	50	10	BBGE	
COC1(C(N)=O)CN(CCCCl)C1	1954822499	PUHDYTMGQGMVKS-UHFFFAOYSA-N	206.673	-0.199	50	10	BBGE	
COCCC1(C(=O)NNCCO)CC1	1955195300	QSDOSXWZUFULBT-UHFFFAOYSA-N	202.254	-0.584	50	10	BBGE	
CC(C)(C)[C@H]1OCCC[C@@]1(N)B(O)O	1955483807	RTOAFAFETNZPQH-APPZFPTMSA-N	201.075	-0.079	50	10	BBGE	
CN(C)C[C@H]1CCN1CCC(=O)NN	1955567562	CYKNKNGMIPBVGR-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
NC(=O)NC1CN(C(=O)CCCCl)C1	1955959906	HWIRFLGTDXKRAV-UHFFFAOYSA-N	219.672	-0.116	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@](O)(CO)COC	1958820523	YDJBEFPXDVQIAZ-IONNQARKSA-N	239.699	-0.510	50	10	BBGE	
CCS(=O)(=O)N1C[C@H](C)OC[C@H]1N=C=O	1960421145	QBYXWWLSLPRODY-YUMQZZPRSA-N	234.277	-0.281	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCC#N)CC1CC1	1961233807	NXZYANKSJIDJHW-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)C1(CN2CCC23COC3)CC1	1961512689	JATOYSFEGWAAEB-UHFFFAOYSA-N	211.265	-0.769	50	10	BBGE	
OB(O)c1cccnc1N1CC(F)(F)C1	1961694998	XHUOULMNKTXUQR-UHFFFAOYSA-N	213.980	-0.783	50	10	BBGE	
CC(C)OC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1976058002	IOCAVQKSJCSLPX-PSASIEDQSA-N	227.308	-0.278	50	10	BBGE	
CCCN(c1ncc(B(O)O)cn1)C(C)C	1981408932	HBGHEIUQGHWPEM-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
CN(CC(C)(F)F)c1ncncc1B(O)O	1981409736	QQZYTXVTFDSHHL-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
CN(CC1(C)CC1)c1ncccc1B(O)O	1981423224	AQFGLJRDMDRFGX-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@H]21	1983237858	DSWGEWINPBELLV-PKIKSRDPSA-N	227.308	-0.278	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3C[C@H]3CO2)CC(=O)O1	1984431518	HYNAZTBVCSSGOZ-CIUDSAMLSA-N	225.244	-0.203	50	10	BBGE	
CC(C)CC1(O)CN(C[C@@H](C)C(=O)NN)C1	1987881535	SUTVRUJQARFIOC-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
O=C(NNCCO)c1cccc2nc[nH]c12	1989797796	XJJHKGJEAQEQJM-UHFFFAOYSA-N	220.232	-0.210	50	10	BBGE	
C=C[C@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1990540965	WUQAWBGNXYWXHF-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
CCN(Cc1cnnn1C)[C@@H](C)C(=O)NN	1991246086	VKMADJFSHAKZBW-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
COC[C@@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	1991326633	IXJWWEXNZCRADO-VXNVDRBHSA-N	227.069	-0.514	50	10	BBGE	
C[C@@H]1CCC[C@H]1S(=O)(=O)NCC#CB(O)O	1992138188	DZPCDNRMPLALEY-RKDXNWHRSA-N	245.109	-0.890	50	10	BBGE	
C=C(CN1CCS(=O)(=O)[C@H](C)[C@@H]1C)B(O)O	1992145922	OUOOHGHKXSGMAL-DTWKUNHWSA-N	247.125	-0.938	50	10	BBGE	
C=C(CN1CCC[C@@H]1CCN(C)C)B(O)O	1992152423	FBILUGDBIOYRCI-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1cnn(C)n1	2004803989	HEDVFYLQSJYZKK-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
OB(O)c1cncnc1N1CCC2(CCC2)C1	2004916789	QBAVXQXDACFEJU-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
CC(F)(F)C1CN(c2ncc(B(O)O)cn2)C1	2004919142	VCPHHDJWIOSMBM-UHFFFAOYSA-N	243.022	-0.752	50	10	BBGE	
OB(O)c1cnccc1N1CCOCC12CC2	2004919343	XRRBJNRMGBEXRP-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CO[C@H]1CCCN(c2ccncc2B(O)O)C1	2004935193	LJJLPDHIYXGSTF-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H](C)C(C)C)n1	2005014300	JMQJRGBDUSWCEK-QMMMGPOBSA-N	237.112	-0.054	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@H]1CC[C@H](C(=O)NN)C1	2010834432	CMMJHLICTGBLJR-VGMNWLOBSA-N	242.323	-0.802	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C2(CC2)C(=O)N1	2014890585	YSXLFHPPPSBALD-JGVFFNPUSA-N	240.307	-0.892	50	10	BBGE	
C=C(CN1CCn2c(nc(C)c2C)C1)B(O)O	2021157407	LQYUAPGEQGGLBG-UHFFFAOYSA-N	235.096	-0.116	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H](C2)O3)c(B(O)O)c1	2021435191	CGTBZFNVZTYDFP-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
Cc1ncc2c(n1)CN([C@@H](C)CC(=O)NN)C2	2025608374	OOTHTASCYFVAQH-ZETCQYMHSA-N	235.291	-0.131	50	10	BBGE	
CC(C)C(=O)N1CCc2cc(B(O)O)ccc2C1	2032570327	SQFOHVOSRRKBFQ-UHFFFAOYSA-N	247.103	-0.093	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@]12CC[C@H]1C2	2039754924	IJCCNOKRVBXJFM-GWCFXTLKSA-N	245.087	-0.217	50	10	BBGE	
CN(C)[C@H]1CCCN(c2ncccc2B(O)O)C1	2052492532	SVMKEYFFHPPEIL-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
COc1cc(C=O)c(B(O)O)cc1Cl	2060132805	MXNSKVSANLCKLW-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)cc1[N+](=O)[O-]	2060137208	RFPYRRVVMTUOQH-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CN2CCC1CC2	2077338770	QYFSUOBYMRRMGK-NSHDSACASA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]2COC[C@H]21	2077841935	GDNVSMRQRJDEDX-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
O=C(NCB(O)O)C1CC(C(F)F)C1	2210099057	CXPKKWFKSMCGBF-UHFFFAOYSA-N	206.985	-0.594	50	10	BBGE	
C[C@H]1CCC[C@H](Cn2cc(B(O)O)cn2)O1	2210953992	OSRWTNHODBLYOO-WCBMZHEXSA-N	224.069	-0.480	50	10	BBGE	
Cn1ccnc1Sc1cc(B(O)O)ccn1	2212599304	GTJOTWUJMYHYGB-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
Cc1cnc(S[C@H]2CCOC2)cc1B(O)O	2212599880	PAEKESUEOPUMKC-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2212613474	VXGDEQYPURFBGL-VXNVDRBHSA-N	221.069	-0.243	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2212898245	CNIOUBVVCWMWHO-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCC[C@H]1O	2212900823	RLBYKVVSTUNJSL-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN(CCCO)C1CC1	2215770923	FDTMZJGSPXCSHC-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@@H](C)CN1C	2216199000	LFKYVGGWJZGQCA-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@@]1(COc2ncccc2B(O)O)CCNC1	2217167932	QWTAVINELOOIJH-LLVKDONJSA-N	236.080	-0.860	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1Nc1ncccc1B(O)O	2217173896	UWGFUFUSLAWCHV-NXEZZACHSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23COC[C@@H]2C3)c1	2217173957	VOBIDBCRCUBBQH-GZMMTYOYSA-N	234.064	-0.790	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2217185280	UWYNQTSWIRXPTO-MMXMTNOXSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H]1COCC[C@H]1Nc1ccc(B(O)O)cn1	2217196202	QODUQJPDBVWKMG-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@H]2OCC[C@H]12	2217198739	FRNZQJAFQBDUJW-MRTMQBJTSA-N	234.064	-0.792	50	10	BBGE	
C#CC[C@@H](C)CN(C)c1ncccc1B(O)O	2217201227	OVNMWYRRHOMXOJ-SNVBAGLBSA-N	232.092	-0.143	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3COC[C@H]32)nc1	2217201945	GQXSAJNFWGEMHL-FXBDTBDDSA-N	234.064	-0.792	50	10	BBGE	
N[C@@]12CC[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220072957	RCNSRKIRRFPBTE-DGCLKSJQSA-N	246.119	-0.711	50	10	BBGE	
CCCn1ccc(=Nc2cc(B(O)O)ccn2)[nH]1	2223634406	KIVLRPIXZDBFRR-UHFFFAOYSA-N	246.079	-0.467	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CC[C@H](C2)N3)nc1	2223669107	GAIOZEXAUAUPDO-JGPRNRPPSA-N	247.107	-0.544	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2ccccc2)c1	2223672076	SAYYOVUXKNWRGL-UHFFFAOYSA-N	242.087	-0.162	50	10	BBGE	
CN1C[C@H](Nc2cc(B(O)O)ccn2)C(C)(C)C1	2223677890	URACAFSNHHCAOS-JTQLQIEISA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cc(OC2CC2)ncc1Cl	2242391425	DZILRNISWKCWKV-UHFFFAOYSA-N	213.429	-0.044	50	10	BBGE	
C=CCOCOc1cc(B(O)O)cnc1C	2242830968	FNWMCKZLICXJRM-UHFFFAOYSA-N	223.037	-0.391	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccsc1B(O)O	2243358754	KMBODWFIKAVGOL-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
CC1(N)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243383155	UVGCXIYEHIDWBQ-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
C=CC1(NC(=O)c2cscc2B(O)O)CC1	2243397520	CSVKZUFJFCCWTQ-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
C[C@@H]1CC(F)(F)CCN1C(=O)C#CB(O)O	2243400669	FYQWAABQNNGRCQ-SSDOTTSWSA-N	231.007	-0.352	50	10	BBGE	
C[C@H](CO)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243403666	ASRKOAHLLIEKNE-PZYMCFGQSA-N	229.085	-0.628	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2243403888	FLPDRHDWULRTJU-AZQAYCESSA-N	225.053	-0.998	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC2(CC2)C1	2243409246	DMICIBHPEUDHIU-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
C=CC=CCCNS(=O)(=O)CC(=C)B(O)O	2243433710	PDEWOHVNGYHVBZ-UHFFFAOYSA-N	245.109	-0.394	50	10	BBGE	
CO[C@@H](C)CSc1ncc(B(O)O)c(C)n1	2243649936	IEWWWYPFZXJXHF-LURJTMIESA-N	242.109	-0.408	50	10	BBGE	
CC(C)(F)C(=O)Nc1ccnc(B(O)O)c1	2243684659	DUFGSNOKJXVGGJ-UHFFFAOYSA-N	226.016	-0.552	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C=CCCC2)nc1	2244132670	RHVOCQRPSNZAMO-SECBINFHSA-N	220.037	-0.356	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]1C1CC1	2244548910	WGBMGIWYPHVNQW-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1coc(B(O)O)c1	2247731986	BPFIEHKHVVQVEL-JGVFFNPUSA-N	241.027	-0.420	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC1(F)F	2247732153	CHLUWJWKJBXJAO-ZCFIWIBFSA-N	244.990	-0.595	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2247741013	SQLOUUYMPDHJFH-YUMQZZPRSA-N	233.032	-0.640	50	10	BBGE	
O=C(NC1CN(CC2CC2)C1)C1(B(O)O)CC1	2247751410	XLBGQRZUJNIJEM-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@H]2C)n1	2247754104	DZNXXMRPOMKIIM-MUWHJKNJSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H](CNC(=O)c1occc1B(O)O)C(F)F	2247755160	HGIHHHVQRCBSGC-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
CO[C@@H](CNC(=O)C1(B(O)O)CC1)C1CCC1	2247758340	VBQYKCPNOAARPC-VIFPVBQESA-N	241.096	-0.075	50	10	BBGE	
CCCCN(O)C(=O)c1ncccc1B(O)O	2247769870	LQXDYZVYVDZWMN-UHFFFAOYSA-N	238.052	-0.607	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2sccc2B(O)O)C1	2247770994	JAPHBXFVUGCPEX-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2CNC[C@H]1C2	2247787475	PQEQAOAVHKDXAD-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
COCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247798724	WRHGNNTXTDCAAO-ZJUUUORDSA-N	243.112	-0.020	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)C1CC(B(O)O)C1	2247798778	XCXVWWRMDVSERL-SEZDTBSWSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)[C@H]1C[C@H]1B(O)O	2247808911	NEBTUVZEVZDCNF-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ccc(B(O)O)o1	2247848872	RMGPXYLIJLJBOC-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2247851044	VTJQQIZFMJDRHM-ZNSHCXBVSA-N	235.092	-0.248	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247852010	NMERESSPOCMWTI-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CC[C@H]21	2247868410	FZRUFORXHFDYFG-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C(=O)C1(B(O)O)CC1	2247871800	HVMWUGIFYVXXHI-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
Cc1cccc(C(=O)N[C@H](C)CF)c1B(O)O	2247873603	KICYGJKXXHNBSQ-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C[C@@]12CN(C(=O)C3(B(O)O)CC3)C[C@@]1(CO)C2	2247878530	LEZIDMWDERUODA-NXEZZACHSA-N	239.080	-0.776	50	10	BBGE	
CO[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2247900260	VJDCMDNDCCCSMA-KXUCPTDWSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248585326	JNMLHRABLLVMLL-KNVOCYPGSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)C1(B(O)O)CC1)C1CC1	2248587258	NPWSZGWZLJTERM-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1COC2(CCC2)C1	2248804561	ZBWAWZXIZGLVBV-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
COCCCCCOc1ccc(B(O)O)cn1	2250003297	WGHLLAYRFPFGFC-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2251311898	ZDKDTCUAALXSCY-SFYZADRCSA-N	241.052	-0.828	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1ccncc1B(O)O	2255452085	CZLJHVFIMNVGDU-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1occc1B(O)O	2255488839	KPMWECNHZXNNMA-APPZFPTMSA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1cnoc1	2255513589	UKBNGEXZGQFSQX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)n[nH]2)cc1	2255550267	KNDWXYVTECOEGM-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1cc(C(=O)N2CC(C3CC3)C2)oc1B(O)O	2255567084	WMZJIPOPCHOGSR-UHFFFAOYSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1=O	2255673828	ILWUMEDCHDMGNL-MRVPVSSYSA-N	247.059	-0.625	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1C	2255684206	IUELKCLTKRUSEU-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
Cc1cnc(C(=O)N(C)[C@H]2C[C@H]2C)c(B(O)O)c1	2255804656	GTOFSVCZKLOUJG-SCZZXKLOSA-N	248.091	-0.450	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H](O)Cc1ccccc1	2256674359	JYBQFBDAFVNRSC-NSHDSACASA-N	249.075	-0.726	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2cc(B(O)O)co2)C1	2258126326	UYHHKKKOSANXRA-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2258129697	YOFBOXOKQNOZEF-MYJAWHEDSA-N	249.075	-0.265	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298164975	VAQGDTNYAQFKGX-NAKRPEOUSA-N	241.335	-0.031	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2298209109	JQCAORLDKPURHF-KLBPJQLPSA-N	239.319	-0.277	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](NC(=O)C1(B(O)O)CC1)C2	2298368082	LGOJAOROKNYJHN-MRTMQBJTSA-N	239.080	-0.323	50	10	BBGE	
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368619	OZHPESYKAUHAIJ-RNJXMRFFSA-N	243.068	-0.883	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375640	TYSNYCQZUXZYLD-HXFLIBJXSA-N	240.112	-0.661	50	10	BBGE	
OC[C@@H]1CC[C@H](CN2CC[C@H](B(O)O)C2)OC1	2303163182	ZAFWQJGUGJLOSE-GARJFASQSA-N	243.112	-0.677	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]c1	2312614091	VUERXXOIKXLOBO-IVZWLZJFSA-N	245.091	-0.798	50	10	BBGE	
O=Cc1ccc(OC[C@H]2CCCN2)cc1B(O)O	2317350457	SPWATGIVJGWNBX-SNVBAGLBSA-N	249.075	-0.690	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)ccc2=O)CC=CCO1	2317525176	IRAJMJVNWCGPBV-LBPRGKRZSA-N	249.075	-0.737	50	10	BBGE	
COCCNC(=O)C(C#N)=CNCCCO	2324627017	BHMDXTXFTAUCHF-UHFFFAOYSA-N	227.264	-0.872	50	10	BBGE	
C[C@@H](NCC(=O)NNc1ccccn1)C(=O)O	35387688	NLAQRTINWPXUKS-SSDOTTSWSA-N	238.247	-0.413	50	10	BBGE	
COC(=O)CN1CCN(C(=O)CCCl)CC1	37834477	JXZWYJDEUHGOKI-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
OCCN(CCO)CCOCCCl	82513860	KHXNEFONQAMLMJ-UHFFFAOYSA-N	211.689	-0.472	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOCC1	86313285	JWGXLNVVZCKQPO-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
Cc1cn(C[C@H](O)CCl)c(=O)[nH]c1=O	197317909	NIJCBHRWPGNMEP-ZCFIWIBFSA-N	218.640	-0.555	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2CC[C@H](C1)O2	203530645	NRAPZBLSEFVCMF-TXEJJXNPSA-N	247.103	-0.270	50	10	BBGE	
Nc1ccc(C(F)(F)F)c(B(O)O)c1	206031644	ZPCVZOIGRAAFFA-UHFFFAOYSA-N	204.944	-0.033	50	10	BBGE	
[C-]#[N+]CC(=O)NCCN1C(=O)CSC1=O	216715555	XEJQNZYOXZEYNG-UHFFFAOYSA-N	227.245	-0.283	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N1CC(=O)OC(=O)C1	229064661	FICWJODMAKUTPJ-DXRPGJJCSA-N	219.262	-0.861	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)[C@H](C)CCl	230991135	CHGVMBKVBNPENT-ZCFIWIBFSA-N	242.728	-0.473	50	10	BBGE	
COC[C@@H](S[C@@H](C)CN)C(=O)NN	232421677	PODNNPSRWNNELJ-NTSWFWBYSA-N	207.299	-0.928	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C)C[C@@H]1C	233886369	CTWHHLBHIYPGDR-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
Cc1nccn1-c1ccc(B(O)O)cc1	238499642	WNYYTVZZTRGAGR-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)[C@H](C)CO1	250667123	SEUSOZXMENAPAA-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN2CCCC[C@H]2C1	251569463	UIKRMKBSOYSPBE-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)CCCO1	300918315	PKJTYMDYVLYBKU-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H]2C[C@H]1CS2(=O)=O	306540589	OZXBMYCVCXQJPD-GJMOJQLCSA-N	234.708	-0.011	50	10	BBGE	
COC(C)(C)COC[C@H]1CC[C@@H](C(=O)NN)O1	379279279	BXUGMBCMEGVABN-BDAKNGLRSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](N2CCCC2)C1	382576728	OBURUJNOHPVAGA-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
CC(C)[C@@H]1OC[C@@H](O)C1=NNC(N)=O	383978096	UHZIUUZNHUYJNN-VDTYLAMSSA-N	201.226	-0.574	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CCCCC(=O)NN	385634406	IZJJTVYCNSCVHF-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CSCC(=O)NNC(=O)[C@@H]1CCO1	388332376	FTXJCEAPFCAXLU-YFKPBYRVSA-N	204.251	-0.714	50	10	BBGE	
C[C@@H](CN=c1[nH]c(CCl)nc(=N)[nH]1)N(C)C	393767796	DXRHVGAQNSXIIC-LURJTMIESA-N	244.730	-0.193	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC(N)CC1	395819506	QNNPGVZBYXCWGT-VIFPVBQESA-N	228.340	-0.186	50	10	BBGE	
NNC(=O)CCCN1CCN(CCF)CC1	402799111	WDSTXLHMZCZSTM-UHFFFAOYSA-N	232.303	-0.656	50	10	BBGE	
NC(=O)[C@@H](N)CC1=C=S=C(Cl)N1	642866885	LOYGBSHUQKGDCY-BYPYZUCNSA-N	205.670	-0.863	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@](C)(CO)C1	688028035	WNTASIMXGDVFBY-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]2COC[C@H]21	690722510	YCMAUSDQKQLAFQ-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
O=C1CN(Cc2cnccn2)CC(=O)O1	698134325	MOCDGGKZLSLVPD-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
C[C@H](CN(C)Cc1cnccn1)C(=O)NN	700074892	NGHOBJVVDAWQDZ-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)CCl)C(=O)NC	700567430	LYZGZZVFGUYWDD-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
CNNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1	704629731	ADNYXAAYBWEKSC-MRVPVSSYSA-N	211.265	-0.505	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCCS1(=O)=O	704673146	QJTLAHAYWOFZCT-LURJTMIESA-N	206.267	-0.714	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(OC(C)(C)C)C1	707221749	XTQQUGCMDOWKKR-VIFPVBQESA-N	245.323	-0.509	50	10	BBGE	
CN(Cc1nnnn1C)C[C@@H](Cl)C#N	707513288	QANZFMBDCANNTL-LURJTMIESA-N	214.660	-0.227	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1CCCN2C	720448800	YQOSVIRCPCQABF-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CN(C)C	862504474	DJGYJUHWHFVXFQ-UHFFFAOYSA-N	208.265	-0.183	50	10	BBGE	
O=C(CCc1cnn[nH]1)NNc1cccnn1	1137759711	HBEQBSZSDYDJCG-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
O=S(=O)(CCCl)NCC1COC1	1253428731	AVVUCDMKIMHXAP-UHFFFAOYSA-N	213.686	-0.209	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)c2ccnnc2)c1	1299503259	UFWGQKFJCOIZKN-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)C1=CCOCC1	1299503607	WRAGYCGRCCPQCF-UHFFFAOYSA-N	248.242	-0.416	50	10	BBGE	
CCNC(=O)NNC(=O)[C@]1(C)CCC(=O)NC1	1325128961	NRBSXORLMDDIOF-SNVBAGLBSA-N	242.279	-0.747	50	10	BBGE	
O=C(CCC(F)F)NNC(=O)[C@@H]1CCC(=O)N1	1331802652	GCUYXMSHTBFNME-YFKPBYRVSA-N	249.217	-0.542	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cnnc(O)c1	1450945801	NFTLEZDTVUUDHM-ZCFIWIBFSA-N	226.236	-0.860	50	10	BBGE	
NCC(CN)NC[C@@H]1C[C@H]1Br	1877409521	DYQSPFIXKGXSFA-CAHLUQPWSA-N	222.130	-0.355	50	10	BBGE	
NCCSSCCNC1=NCCN1	1882321814	BUDVMSCDSZNEIT-UHFFFAOYSA-N	220.367	-0.125	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCC1(F)F	1886327639	IDNVPFRDKABINS-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
C[C@@H]1C[C@@H](O[C@H](C)CC(=O)NN)CO1	1888048960	CBLYYCNRZWAEAR-BWZBUEFSSA-N	202.254	-0.051	50	10	BBGE	
O=C(O)C1(N[C@H]2C[C@H](Br)C2)CNC1	1893006395	YCZDNXPSHNRCGX-IZLXSQMJSA-N	249.108	-0.072	50	10	BBGE	
NNc1ncnc(=NC[C@@H]2C[C@H]2Cl)[nH]1	1893109054	WUCKOWICWXECSS-CRCLSJGQSA-N	214.660	-0.382	50	10	BBGE	
CS(=O)(=O)C1(C(=O)O)CN(C(=O)F)C1	1893418479	ACBRGIXXYBBVEG-UHFFFAOYSA-N	225.197	-0.741	50	10	BBGE	
C=C(CN(C)OCC(F)(F)F)B(O)O	1895192078	XPFXIPXXJCAPLI-UHFFFAOYSA-N	212.964	-0.020	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C[C@H](O)CCl)C[C@H]21	1900558578	NAJWXYNNSCNMCB-OOJXKGFFSA-N	218.684	-0.751	50	10	BBGE	
C[C@H](N)CCC(=O)NN(C)S(=O)(=O)C1CC1	1901349352	YIFAJIHEAAOVQN-ZETCQYMHSA-N	249.336	-0.431	50	10	BBGE	
OB(O)c1csc(COC[C@@H]2CCOC2)n1	1902658034	HLTJJRLTQPBSSJ-SSDOTTSWSA-N	243.093	-0.624	50	10	BBGE	
Cn1nnc(C(=O)N2CC=C[C@H]2CCl)n1	1909228471	WJEWXFKSNAAVLW-LURJTMIESA-N	227.655	-0.171	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@@H]1CN2CCC1CC2	1910294672	LSDQRGKEEUCVIF-HBNTYKKESA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1917455272	BLTZPBLWXZGBPV-OFPUPOEVSA-N	223.276	-0.615	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ccnc(B(O)O)c1	1924098545	NNWPPWBLTKQASJ-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
N#Cc1cccn1C[C@@H]1C[C@H]1C(=O)NN	1927906956	FIJAJUBDJLVGLG-IONNQARKSA-N	204.233	-0.014	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1CCOC1	1927917594	LUYCQWZKUWONGA-HRDYMLBCSA-N	214.265	-0.335	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COC[C@@H]1CO	1928737610	GSDGKMKDNPMBBB-BQBZGAKWSA-N	243.712	-0.848	50	10	BBGE	
C[C@@H](CN1CC(C)(C)[C@@H]1CO)C(=O)NN	1929740072	DVXDBAFVODJMDO-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](C1)C2(F)F	1931857436	HDMNGGPEVPDFHL-FSDSQADBSA-N	219.235	-0.048	50	10	BBGE	
COc1sccc1C(=O)NNCCO	1931861959	BMFYCZLTIIXNIE-UHFFFAOYSA-N	216.262	-0.017	50	10	BBGE	
COC(=O)N(C)Cc1ccc(B(O)O)s1	1935213556	DROSMBZBVIPCHL-UHFFFAOYSA-N	229.066	-0.374	50	10	BBGE	
CC[C@]1(O)CCN(CCCCC(=O)NN)C1	1937983986	KSBGAMBCTKFAAK-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@]1(C)CO	1938797991	AEUISZTXEDRHTF-LDYMZIIASA-N	229.324	-0.152	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CC(F)(F)C(=O)NN)C2	1940894743	ZVEUCEWGGFAGHW-OCAPTIKFSA-N	248.277	-0.610	50	10	BBGE	
Cc1nc(C#N)n(C[C@@H]2C[C@H]2C(=O)NN)c1C	1941094906	PQESMHFDUOHJIS-DTWKUNHWSA-N	233.275	-0.002	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCC[C@H]1O	1941772510	KFXDYKCVBYUUQE-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CCOCC(=O)NN	1941774288	HNMMWKWFNAEXQI-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CN1CCC2(CC1)C[C@@H]2CO)C(=O)NN	1944029621	NQWKKDQJUPJQHS-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
COC1(CO)CN([C@H](C(=O)NN)C(C)(C)C)C1	1951073731	QEGIAONSISZTQR-MRVPVSSYSA-N	245.323	-0.916	50	10	BBGE	
O=C1C[C@@H](C2CC(=O)OC(=O)C2)CCN1	1951756777	HFIAVMBOYIZKAK-LURJTMIESA-N	211.217	-0.008	50	10	BBGE	
O[C@@H](CCl)CN1CC2(C1)OCCC[C@H]2O	1958500065	PGVHTJIFOZIAOI-DTWKUNHWSA-N	235.711	-0.188	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(CSC)C1	1958880033	JGCXPUIVGDDPKT-QMMMGPOBSA-N	233.337	-0.714	50	10	BBGE	
CC1CC(CO)(N(C)[C@H](C)C(=O)NN)C1	1960063238	OUHCZWNGOXIJSK-CCNFQMFXSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)CC12CC2	1961234354	AKSBMTYESYTCON-SFYZADRCSA-N	213.281	-0.646	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)CC1=O	1961282951	JIAIFLADCAFYJM-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
Cc1nc(OCC2CC2)ncc1B(O)O	1961686367	CQOIYRXDNKOUIN-UHFFFAOYSA-N	208.026	-0.746	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CC[C@H]3C2)n1	1961717487	BBTSXFAITPTWIE-BQBZGAKWSA-N	224.094	-0.331	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ncccc1B(O)O	1961777512	IZIJPNYPRPFNTK-APPZFPTMSA-N	206.054	-0.394	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@@H]1C[C@@H]1C(=O)O	1962403585	QEGDVSHCVLVHQQ-ACZMJKKPSA-N	215.253	-0.129	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1976401995	KYTUGUBDAIYUTQ-CWKFCGSDSA-N	231.246	-0.048	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H](CF)C1	1981248410	LKDRYNQAYUYXEL-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CO[C@H](C)COc1ccc(F)c(B(O)O)c1	1981499619	DCAVOEWKWWHCLL-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CC(C)[C@]12CC[C@@H](NC(=O)C(=O)NN)[C@@H]1C2	1984311974	MACDBFRZFVAFFI-VAOFZXAKSA-N	225.292	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC=C[C@H]1CO	1985649193	TYGHYTKQVHNPSV-GUBZILKMSA-N	227.308	-0.376	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC2(F)F)c1B(O)O	1985885835	YBWGHGQYJNDSKR-RXMQYKEDSA-N	229.979	-0.749	50	10	BBGE	
Cc1nc(N2CC[C@@H]2CF)ccc1B(O)O	1986085222	TYBPGVGJUZDWHF-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC(C)(C)[C@@H]1CO	1986922108	BSMSOEBBUSQYTP-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2C[C@H]21	1988002612	ZOSPDXUACLGNKA-HZGVNTEJSA-N	222.028	-0.501	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CC1	1990041197	OQKUCAHKOKCOII-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)Cn1ncc2c(c1=O)CCCC2	1991235741	HJSBQWNONRYWBQ-UHFFFAOYSA-N	222.248	-0.888	50	10	BBGE	
NC(=O)[C@H]1COCCN1C(=O)/C=C/C(=O)Cl	1991712652	JLRYEWGMPQBAOO-UGQQDIOTSA-N	246.650	-0.979	50	10	BBGE	
CN1CC[C@@H](OCCC(F)(F)C(=O)NN)C1	1992112725	CRHHAWLCYACLQL-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NCC#CB(O)O)O1	1992134177	JIVWRPPDBGEJMD-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
C#CCN(C)C(=O)c1ccccc1B(O)O	1992837383	XZICVFDJCDLQLG-UHFFFAOYSA-N	217.033	-0.928	50	10	BBGE	
CC1(C)CC[C@H](CO)N1CCCC(=O)NN	1994868268	LZRLVYWRZVQOAO-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cccnc1OCCN1CCCC1	1995747400	AWXOSFIAOFHSJA-UHFFFAOYSA-N	236.080	-0.764	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CN2CC[C@H]1C2	1996690878	RERWBLRMVBIDNZ-SGIHWFKDSA-N	236.271	-0.393	50	10	BBGE	
C[C@@H](CN(C)CCN1CCCC1=O)C(=O)NN	2004257092	RCGXEVZYSDZGTD-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1ncc(B(O)O)cn1	2004917434	WJPFJSQBVZCLPG-MYJAWHEDSA-N	233.080	-0.751	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@H]3C2)c1B(O)O	2004972831	LOFJODGLAFHHRL-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
CN(C[C@H]1OCC[C@H]1F)CC1(C(=O)NN)CC1	2009201017	DSHJVAMUQYXNGJ-RKDXNWHRSA-N	245.298	-0.185	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@H]1C1CC1	2014006479	KURLIDQUOZFQIY-CMPLNLGQSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)C[C@@H]1F	2014929254	KFGLVYKLIUNZPP-RCOVLWMOSA-N	242.034	-0.305	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CN(C)C)C1	2019213531	WCYTYCYYLBMGOV-JTQLQIEISA-N	242.323	-0.963	50	10	BBGE	
CC[C@@H](C)N(CCOC)CC(=O)NNC(C)=O	2019218709	HJEPPRLWJXBISJ-SECBINFHSA-N	245.323	-0.099	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)c(C)n1	2020058678	HSFZCGPAJZRTOU-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
C[C@]1(F)C[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1	2021325210	BDHJIXXXBFMZHO-WATHFIQWSA-N	247.031	-0.833	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CCC[C@@H]1COC2	2021404182	LNFAWAUFLYJJCS-OCAPTIKFSA-N	249.261	-0.135	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H](CO)CCC1(C)C	2025476052	MJYMMVQEYLDTCC-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
N#CC1(O)CCN(CCCOC2CNC2)CC1	2026044718	GUJCANBUOHQAKV-UHFFFAOYSA-N	239.319	-0.285	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C(=O)N1CCC1	2043146818	XALBGKBYWJJNHT-UHFFFAOYSA-N	248.091	-0.376	50	10	BBGE	
CCN1CC[C@H](N(C)c2ncccc2B(O)O)C1	2052498923	LFTQJFWQBQGBDC-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@@H]2C)c(B(O)O)c1	2052626185	TWFKAOUULOAXLX-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCOc1cc(OC)c([N+](=O)[O-])cc1B(O)O	2060018418	SQZSGECLYINCQU-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
Cc1ccc(N(C)c2ncc(B(O)O)cn2)cn1	2075983007	LARQSBLOIMCJNC-UHFFFAOYSA-N	244.063	-0.372	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2CCC[C@H]21	2079011995	MTXLMRDXYIGKBX-BXKDBHETSA-N	245.087	-0.009	50	10	BBGE	
OCC(CO)NC1CC(Br)C1	2208975781	NTIISFDQRNHWBW-UHFFFAOYSA-N	224.098	-0.145	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ncccc1=O	2211839489	VIBRMOGOSJESOH-SFYZADRCSA-N	222.248	-0.741	50	10	BBGE	
CSC1CN(c2cc(B(O)O)c(C)cn2)C1	2212605030	WOYKJXKELQYDIJ-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@H]1CC[C@@H]1C(=O)NN	2215776110	KXAOUOMRNHHTPH-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
CN(CC1(C(=O)NN)CCOCC1)C1COC1	2216871253	HAYYXMOCYPIUJE-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
Cn1cc(CNc2cc(B(O)O)ccn2)cn1	2217174420	YZFDNVANZVCQJC-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
Cc1cnc(N(C)C(C)(C)CN)cc1B(O)O	2217182203	AHFLLXGCJFEZLA-UHFFFAOYSA-N	237.112	-0.757	50	10	BBGE	
CC[C@H](N)[C@H](CC)Oc1ccc(B(O)O)cn1	2217191270	IWOMNFVHINININ-UWVGGRQHSA-N	238.096	-0.344	50	10	BBGE	
CC(C)NC[C@@H](C)Oc1ccc(B(O)O)cn1	2217192165	WNHRIJSPRVOJPO-SECBINFHSA-N	238.096	-0.473	50	10	BBGE	
CC[C@H](CCN)Oc1nccc(B(O)O)c1F	2217192249	NAEGHDLHNYAZJU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3CCCC[C@H]32)nc1	2217199597	NPJDQDYLWKUNRD-MYJAWHEDSA-N	233.080	-0.243	50	10	BBGE	
Cc1nscc1CN=c1ccc(B(O)O)c[nH]1	2217202477	XHJSGXCQUARAFI-UHFFFAOYSA-N	249.104	-0.440	50	10	BBGE	
C[C@@](CN)(Nc1ncccc1B(O)O)C1CC1	2217202860	MHJJBLAAZFZTJK-NSHDSACASA-N	235.096	-0.699	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)Cc1cccc(B(O)O)c1	2220064087	NGJLTMGUQBQNLL-MFKMUULPSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1ccnc(NCCc2ncccn2)c1	2223644006	CVDFCSPMFIDTMP-UHFFFAOYSA-N	244.063	-0.794	50	10	BBGE	
C[C@@](N)(CNc1ccc(B(O)O)cn1)C1CCC1	2223644420	IVGQMEFSQDQXEC-GFCCVEGCSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c1F	2223646121	GLKMXCLGNGFURF-UMSVSBSPSA-N	248.066	-0.033	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC12CCC2	2243127595	OPRAGJDEUFUINE-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
O=C(NCCC1CC1)c1sccc1B(O)O	2243361366	ACYFCTBFRVPNGC-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1ccoc1B(O)O	2243361842	HWPDWKVYXFGSGI-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
N#C[C@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2243362398	QIAHDJMRQRSEIS-RKDXNWHRSA-N	220.037	-0.800	50	10	BBGE	
C#CCOCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383230	WBAWUQKFJIXQNP-DTORHVGOSA-N	225.053	-0.995	50	10	BBGE	
CCC(N)(CC)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397267	YCCQWIGNEXJCPD-JGVFFNPUSA-N	228.101	-0.517	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243397869	KNZYDMKKOYCWPS-QMMMGPOBSA-N	222.053	-0.244	50	10	BBGE	
C[C@H]1C[C@@H](C)CCN(C(=O)C#CB(O)O)C1	2243400880	JEOVFNIIENGYIS-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
Cc1ccnc(C)c1NC(=O)C#CB(O)O	2243404471	OSRQVQGKVMXXBN-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
CCCNC(=O)c1cc(F)ccc1B(O)O	2243408432	NBRLNPJDDOYLDJ-UHFFFAOYSA-N	225.028	-0.355	50	10	BBGE	
C=C(CS(=O)(=O)NCC[C@H](C)CC)B(O)O	2243434038	UBHPKGKHBBKPOK-MRVPVSSYSA-N	249.141	-0.090	50	10	BBGE	
C#CCNC(=O)Nc1ccc(B(O)O)cc1	2243453641	QRMQGTLRGIHUBC-UHFFFAOYSA-N	218.021	-0.879	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)cc1F	2243685526	WIXUKZQZSFZWAT-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
CC1CN(C(=O)Nc2ccc(B(O)O)cc2)C1	2246778648	GUOXAUHFMWFRRJ-UHFFFAOYSA-N	234.064	-0.150	50	10	BBGE	
OB(O)c1ccc(=NCCc2cnsc2)[nH]c1	2246913047	LYMLVGWZULGRAP-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1ccc(B(O)O)o1	2247738477	QSKUSUBXRUKYSP-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
CCc1ccccc1CNC(=O)C#CB(O)O	2247740793	PSJITARTMLJBPI-UHFFFAOYSA-N	231.060	-0.119	50	10	BBGE	
O=C(C#CB(O)O)NCc1cc(F)cc(F)c1	2247746516	AEBRMYNHPBLKQC-UHFFFAOYSA-N	238.986	-0.404	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C(=O)C1(B(O)O)CCC1	2247749855	ANHUVBSWILHNQF-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1occc1B(O)O	2247751271	VRWLAAPSIQVRMK-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
C[C@@]1(CCNC(=O)C2(B(O)O)CCC2)CCN1	2247754438	DDEBRXPFOFAZGM-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
CC(C)C[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2247782190	RHOHKECKJUMIEO-SSDOTTSWSA-N	239.084	-0.746	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787747	TZXFTOMJHPUVJM-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CCCN(CCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787980	XJDWTXJJKSRDOE-AOOOYVTPSA-N	243.112	-0.140	50	10	BBGE	
CN(c1nccn1C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792455	SNWIWKJZMYVTPN-OCAPTIKFSA-N	237.068	-0.364	50	10	BBGE	
CON(C(=O)C1CC(B(O)O)C1)[C@H]1CCOC1	2247809973	SRIDAMKCJHGQPM-HACHORDNSA-N	243.068	-0.582	50	10	BBGE	
C[C@@H](O)c1ccccc1NC(=O)C#CB(O)O	2247850739	SGAHSLBHZPWLPK-MRVPVSSYSA-N	233.032	-0.306	50	10	BBGE	
CON(C)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247859577	OANNZLCPWZUYNA-KYZUINATSA-N	244.100	-0.761	50	10	BBGE	
CC1CC(CNC(=O)c2occc2B(O)O)C1	2247877526	HTQOYLWICWAITC-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
CCCCN(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247894633	JAWFQURVUFBTTR-AOOOYVTPSA-N	243.112	-0.140	50	10	BBGE	
C[C@@](CO)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247895852	BTKRSDUAVAGHSF-ARENWVFISA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2247899280	MALJOPLIJQBCBX-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
CC[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247900184	USINMKNRPQDLSZ-YSSBGUOXSA-N	241.096	-0.077	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)c(F)cc1C	2249383074	PHAPJOWVIKERKZ-UHFFFAOYSA-N	241.027	-0.553	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249427784	LEEUXGYSOSIEDB-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
CC(C)(F)[C@](C)(F)C(=O)NCCC#CB(O)O	2249999601	XQHFBFDUOZJMNA-SNVBAGLBSA-N	247.050	-0.016	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2250336435	OHSPKHITZTVVNV-RWHSBRQSSA-N	239.319	-0.685	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2250680818	IADKSYNJAWTGDV-CDLYGTGVSA-N	238.096	-0.953	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)cn2)C1	2251666379	PMTWOUOBGHPWIB-UHFFFAOYSA-N	232.048	-0.981	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC=CCC1	2255514550	KINMAPKRTARVSA-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255516234	JKERRJOSAUBUPF-HTQZYQBOSA-N	248.091	-0.607	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)n[nH]1	2255554005	GOEVJGNKZMZLPN-MTBHXBHISA-N	249.079	-0.992	50	10	BBGE	
Cc1nccnc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2255572222	WSJYSVKDXQDUQX-DTWKUNHWSA-N	249.079	-0.394	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCC[C@H]2C1	2255677697	BVZHMEASPIBBLE-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC3CC2C3)c1	2255735081	MQCDZJAWPGPWQK-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2CC23CC3)c(B(O)O)c1	2255735984	FEQUQNRMDVEMTA-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
CC#CC(=O)N1CCCc2cc(B(O)O)ccc21	2256637849	WCWBVANYPOCWBP-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCCC[C@@H]21	2258136746	NGNZPXFRDWQMSO-KCJUWKMLSA-N	249.075	-0.026	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2298368550	KXMPATGIAPXMSH-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298558495	QNVQMRZVBFTNHW-UEWQFTGXSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCC[C@@H]1C[C@H]1C(=O)NN	2300393168	KCCFDJNONIOPGS-DJLDLDEBSA-N	242.323	-0.802	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2[C@H](C)C[C@H]2C)n1	2301181015	XABYVBRJSDTIOG-RNFRBKRXSA-N	236.080	-0.112	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCSCC1	2301338006	DIWVZCDONXFORZ-UHFFFAOYSA-N	248.116	-0.209	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cc1C#N)C(=O)O	2301347299	ZNYVHIBFWRPNJS-ZCFIWIBFSA-N	234.020	-0.877	50	10	BBGE	
COC[C@H](CN(C)CC(B(O)O)=C(C)C)OC	2301953115	NJVSQRBXAQADQX-JTQLQIEISA-N	245.128	-0.072	50	10	BBGE	
C=C(CN1C[C@H](OC)[C@H](OC)[C@H]1CF)B(O)O	2302225515	WMTQLVLABJJWDK-KXUCPTDWSA-N	247.075	-0.762	50	10	BBGE	
O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@H](B(O)O)C1	2303107282	BIYVFCWMCIUBQA-AXTSPUMRSA-N	239.080	-0.371	50	10	BBGE	
CO[C@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303835859	DDOBFOVXOSRLAR-LJGSYFOKSA-N	240.043	-0.510	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C=CCC2)[nH]cc1F	2303848200	VVFOZJSTHZBGNI-MRVPVSSYSA-N	236.055	-0.300	50	10	BBGE	
OC[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312613487	IMWXDDVHEZVWQA-AYHFEMFVSA-N	248.091	-0.810	50	10	BBGE	
CCCNC=C(C#N)C(=O)NCC(=O)O	2324946127	LFOOARLZXAQZNU-UHFFFAOYSA-N	211.221	-0.406	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(F)cc1F	36948235	DNTVBVVCMQJVCF-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
CCN(CCC(=O)OC)CC(=O)NNC(C)=O	50054919	DZTXGLPLYZBYTJ-UHFFFAOYSA-N	245.279	-0.961	50	10	BBGE	
NC(=O)CN1C[C@H](CBr)OC1=O	82330760	YYRSOAGKSGLDMN-BYPYZUCNSA-N	237.053	-0.313	50	10	BBGE	
NNC(=O)c1cc(CN2CCSCC2)on1	82466596	PRKUOYWDULRXGB-UHFFFAOYSA-N	242.304	-0.173	50	10	BBGE	
CN1CCC[C@@H](N(C)CCC(=O)NN)C1	82468592	COGPWLGXAKZKCA-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2CCC[C@H]21	83702208	QIXGVDZZZKKXSQ-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CN)C1	86313462	CHMPIPOBUWVKNW-DJLDLDEBSA-N	214.313	-0.719	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnc(C)cn1	89994065	CVXYMPXECNWQMW-UHFFFAOYSA-N	240.288	-0.091	50	10	BBGE	
C#CCOCCC(=O)NNC(=O)[C@H]1CCCO1	119596532	LQTQKNCLQCQSQL-SECBINFHSA-N	240.259	-0.647	50	10	BBGE	
CCSCC[C@H](C)NC(=O)C(=O)NN	134151778	BBPFBGZXOYWUMJ-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	149123532	UDWYKGPSLHPWPR-NKWVEPMBSA-N	215.253	-0.175	50	10	BBGE	
O=S(=O)(CCl)Nc1nccnn1	165215549	LUDRDHRABYAYOC-UHFFFAOYSA-N	208.630	-0.190	50	10	BBGE	
CN(N)C(=O)c1n[nH]c(=O)c2ccccc12	167024331	BEEVBKBFPIJHKW-UHFFFAOYSA-N	218.216	-0.131	50	10	BBGE	
CC(=O)O[C@@H]1NC(=O)[C@H]1Br	196524852	YHBHGWQTEGXDTR-WUJLRWPWSA-N	208.011	-0.231	50	10	BBGE	
NNC(=O)CCCC[C@@H]1CNC(=O)N1	205236284	YHWRUEJUDAGJEG-ZCFIWIBFSA-N	200.242	-0.782	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)CCN1C	216591113	IAXDPJOYQMKKPF-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
COC[C@H](CCl)NS(C)(=O)=O	229023194	ZKKIUYDJNZMELA-YFKPBYRVSA-N	201.675	-0.211	50	10	BBGE	
COC[C@H](SCCC(=O)OC)C(=O)NN	232421372	XKLJTSNFGLIURF-LURJTMIESA-N	236.293	-0.712	50	10	BBGE	
CCS(=O)(=O)CCn1nnnc1CCl	233817398	OSIBCXJYNVNFQX-UHFFFAOYSA-N	238.700	-0.153	50	10	BBGE	
CO[C@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1OC	234822071	QUMOXHVHMDTAIT-KYXWUPHJSA-N	245.323	-0.654	50	10	BBGE	
CSC1(CNC(=O)C(=O)NN)CCC1	235052202	RKIYCIPDMDOSQT-UHFFFAOYSA-N	217.294	-0.622	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](O)(C(F)(F)F)C1	304423785	AEGGGLZGINUMLD-CAHLUQPWSA-N	241.213	-0.636	50	10	BBGE	
O=S1(=O)N=C2CCCN2[C@H](CCl)N1	306147730	ATPUNMWSMSRWQF-ZCFIWIBFSA-N	223.685	-0.106	50	10	BBGE	
OB(O)c1cccc2c(O)c(O)sc12	307088266	MNBUFAPHDDUSEK-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COCC(C)(C)N(C)[C@H](C)C(=O)NN	308562660	GDWZMDVNOZNULV-SSDOTTSWSA-N	203.286	-0.278	50	10	BBGE	
COC[C@H](C)CN(C)[C@H](COC)C(=O)NN	309584843	VACXBYPRURWHQO-RKDXNWHRSA-N	233.312	-0.794	50	10	BBGE	
COC[C@@H](OCCSC)C(=O)NN	378656780	BNIJLKCXVACLOG-ZCFIWIBFSA-N	208.283	-0.629	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)c1ccon1	381310350	LJLLWHLMTXSVQG-ZCFIWIBFSA-N	226.236	-0.508	50	10	BBGE	
CC[C@@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	382050488	AGYBNCKTOPIYDT-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1CCO	382357409	JZSPBUNATMKUFQ-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
O=C1CN([C@H]2CC23CCOCC3)CC(=O)O1	387128169	LQVQCAPZIOQEIW-QMMMGPOBSA-N	225.244	-0.059	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CO2	387666841	YXGBUQZCEYETEL-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
Nc1cc2scc(C(=O)O)c2cc1B(O)O	396238442	IASLXYLYVZCNNS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398786202	DWQOCTSYKDBDGW-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)[C@H](C)C(=O)NN)CO1	401555749	CUOANDRYRVOEEL-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1ccon1	404999330	KSBSHMGIZZBFNR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCOC(=O)Nc1ccnc(B(O)O)c1	405132716	HKCMWFKNGBXDPT-UHFFFAOYSA-N	209.998	-0.670	50	10	BBGE	
OB(O)[C@@H]1CCN(CC[C@@H]2CCOC2)C1	585074428	ADEUSUZOJNMCME-NXEZZACHSA-N	213.086	-0.038	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(N)=S)[C@@H](C)O1	686472207	KLIBIPYHEKDYRC-PBXRRBTRSA-N	217.294	-0.336	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(C)CC1(F)F	689638663	QJIOXQONLNZAQA-ZETCQYMHSA-N	207.224	-0.047	50	10	BBGE	
OB(O)c1cccc(OCc2cnccn2)c1	693540736	HZRGZSYGHJOBEM-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CO[C@H](C)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703423705	BOUAUPDJMSTOEI-CSMHCCOUSA-N	213.233	-0.062	50	10	BBGE	
COCCOC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	707345937	HSILTHHSVBJECJ-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
COC(=O)N1Cc2ccc(B(O)O)cc2C1	707988962	YMASIBBPXJAMBS-UHFFFAOYSA-N	221.021	-0.552	50	10	BBGE	
CN(C)Cc1ccc(NC(=O)C(=O)NN)cc1	709761336	XLUPDMLJXLMCET-UHFFFAOYSA-N	236.275	-0.323	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)C(=O)NN)CC1	718281017	UDVAHVIMGDNQFV-SFYZADRCSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2OCC[C@@H]2C1	724821631	IKZXGFOYIYPYBU-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
NC(=O)C1=C[N+](C2=[S+]C(C=O)=CC2)=NC1	725569556	KQDKQFWIYKFKJH-UHFFFAOYSA-O	223.257	-0.467	50	10	BBGE	
Cn1cccc1C=NNC(=O)[C@@H]1COCCO1	745215023	WYUNQLFCXLPUQT-JTQLQIEISA-N	237.259	-0.109	50	10	BBGE	
C[C@@H]1CN(C)CC1=NNC(=O)c1cn(C)nn1	853386114	UPRWWNNFSSSVLK-SSDOTTSWSA-N	236.279	-0.518	50	10	BBGE	
Cc1nnc(NNC(=O)[C@](C)(O)C2CC2)n1C	856045816	LLYTXIFLBMKTRR-SNVBAGLBSA-N	239.279	-0.272	50	10	BBGE	
COC(=O)NNC(=O)c1cn(C)ccc1=O	1306209282	HVOVZCLLUMPWQA-UHFFFAOYSA-N	225.204	-0.614	50	10	BBGE	
Cn1c(C(=O)NNc2cccnn2)cnc1O	1623749079	VXFXYVCOTRITEV-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
Cc1c(CC(=O)NNc2nc[nH]n2)cnn1C	1638767096	OAZWKZIPGSOVDH-UHFFFAOYSA-N	235.251	-0.468	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2cnnn2C)c1	1648819190	IEVORMVJOAZGLR-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
C[C@@H](CCCl)C(=O)NC[C@@H](O)CO	1882474705	IRCVWNXGALIPTK-NKWVEPMBSA-N	209.673	-0.279	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NNCCO	1884872139	UEKYHVYBXSTSFO-YLWLKBPMSA-N	208.208	-0.109	50	10	BBGE	
CC1(F)CC(CNC(=O)C(=O)NN)C1	1886644441	LHCINECTMSAXHS-UHFFFAOYSA-N	203.217	-0.769	50	10	BBGE	
CC(C)COC(=O)NCC=CB(O)O	1892926131	YUXOCKIDBSHIQZ-UHFFFAOYSA-N	201.031	-0.063	50	10	BBGE	
N[C@@H]1COCCN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1893453564	OGHNPWCRLICYSU-RNJXMRFFSA-N	218.684	-0.200	50	10	BBGE	
C=C(CN1CC(OC(F)F)C1)B(O)O	1895240364	YJYBIFNFHVHYDK-UHFFFAOYSA-N	206.985	-0.522	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=S)CCCCO1	1896735630	RMNRFTNFYBIDCU-QMMMGPOBSA-N	217.294	-0.190	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C=C[C@@H](C)N	1901376301	YOZJNVQWCZEKHK-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
CC(C)=C(Cn1ccnc(C)c1=O)B(O)O	1901627294	RZTOYGVAHZQNJY-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@@H]1CC[C@H](C(=O)NN)C1	1908434183	CMAVPEYDCDUYNI-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@H]1C	1908482090	QCCIWOASNHESKV-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2[C@H](C)[C@H]2C)n1	1908565492	DWLPSZIRVJCXBT-RNFRBKRXSA-N	236.080	-0.254	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2C[C@H]2C)n1	1909569388	NDTPPVCBVDXBOT-VXNVDRBHSA-N	235.096	-0.443	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)c1ncncc1B(O)O	1910621761	SLQIDZVNQIFXNR-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1CO	1914018442	FWVSYJVBKKBSBE-AEJSXWLSSA-N	241.335	-0.437	50	10	BBGE	
C[C@H](CCO)N(C)Cc1cc(C(=O)NN)no1	1916501334	YFXAHNWAROZMAX-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@H]1C[C@H]1C(=O)NN	1927913842	NSWIRGRXRJBJKQ-IWSPIJDZSA-N	210.281	-0.154	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)[C@H]1CO	1929742327	WRYOKWSSTANHIT-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](C)OCC1(C(=O)NN)CC1	1931266919	MBEWPBASQUATLW-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)[C@H](C)CCl	1932514377	YCTNGUCNTOZSSA-RITPCOANSA-N	242.728	-0.346	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)Cn1cncn1	1937147602	VHOMKBCVZRZEPK-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)c2cnn(C)n2)C1	1937191366	SYPWYTZCZGRQLP-XPUUQOCRSA-N	243.698	-0.534	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940641963	AAVWBKUTHLNWNG-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cnco1	1944174237	FQSIAHOWJAIXEH-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H](C)C[C@@H]1O	1944568393	FKJOARNSNGMPCW-UVOCVTCTSA-N	241.335	-0.296	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@H]2CCOC[C@H]21	1945076399	YTCIEXNTJFYWTH-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](C(=O)Nc1ccc(B(O)O)cc1)N(C)C	1946128533	BQRZUDGPSQLDPO-QMMMGPOBSA-N	236.080	-0.745	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@]12CC[C@H]1C2	1951286192	ZEXCKNUBXORFIR-WRWORJQWSA-N	232.048	-0.500	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@@H](O)C[C@H]1O	1954819494	RINBZPFPKRAJAP-FSDSQADBSA-N	207.657	-0.384	50	10	BBGE	
NC(=O)[C@@H]1CCN(C[C@H](O)CCl)C1	1954822094	JUKBQDZEWIIOGV-RNFRBKRXSA-N	206.673	-0.607	50	10	BBGE	
NC(=O)C1(O)CN(CC=CCCl)C1	1954822681	SNWRCBKKFAJRFI-UHFFFAOYSA-N	204.657	-0.687	50	10	BBGE	
NNC(=O)N1CCOCCC12COC2	1954925417	ZBGRFLAUNIINAX-UHFFFAOYSA-N	201.226	-0.939	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(N(C)C)C1	1955538911	OEMMOJHKRDESQA-SSDOTTSWSA-N	200.286	-0.999	50	10	BBGE	
CN(Cc1cnn(C)n1)C[C@H](O)CCl	1956952906	MZRBFFXTCQOXGZ-MRVPVSSYSA-N	218.688	-0.153	50	10	BBGE	
C[C@H](CN(C)Cc1ccon1)C(=O)NN	1958699001	GFPQBFOPFNCMKN-SSDOTTSWSA-N	212.253	-0.268	50	10	BBGE	
CN(C)CCCOC[C@@H]1C[C@@H]1C(=O)NN	1974679173	RLJJUUOCZFMMGY-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
Cc1nccn1CCN(C)[C@H](C)C(=O)NN	1976566645	CCPQLPXDAORVJW-MRVPVSSYSA-N	225.296	-0.498	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C)(N(C)C)C1	1976832343	GZBRUXLOIMSWMF-IUCAKERBSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@H]1CF	1981143773	OVSIRNWXGVBLOL-VIFPVBQESA-N	233.287	-0.183	50	10	BBGE	
C[C@@]1(F)CCN(c2ncc(B(O)O)cn2)C1	1981412781	XXRNBOQYSNLKLE-SECBINFHSA-N	225.032	-0.905	50	10	BBGE	
CC1(C)C[C@@H]1Cn1cccc(B(O)O)c1=O	1984102754	WPWCJPBSKZEMRA-MRVPVSSYSA-N	221.065	-0.426	50	10	BBGE	
Cn1cc(C(=O)NNC(N)=S)c(C(F)F)n1	1984201058	IAXKTWPZXFMZNP-UHFFFAOYSA-N	249.246	-0.164	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@H]2C(F)(F)F)c1	1986781503	CHANUJSUDLQFSM-VDTYLAMSSA-N	233.986	-0.239	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@@H]1C1CC1	1987390599	DWYZWUPUKRXGSV-ONGXEEELSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1COCCOC1	1987698565	RQEFMMJVXWXVKZ-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@H]1C[C@@H]1Cl	1991687539	KRSOPKBRKDDESY-LYFYHCNISA-N	244.678	-0.123	50	10	BBGE	
O=C(C[C@H]1C[C@H]1C1CC1)NCC#CB(O)O	1992153989	UOFCJSLEKGOFEG-ZJUUUORDSA-N	221.065	-0.446	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1cccc(B(O)O)c1	1992837199	VRDDOXWUJUTZOF-BDAKNGLRSA-N	223.012	-0.793	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)C12CCC2	1993528584	LUOSDRPKODRUCP-HLTSFMKQSA-N	225.292	-0.788	50	10	BBGE	
COC(=O)[C@@H](CCCl)NC(=O)c1cnn[nH]1	1994361391	PBLDGSIRWLNYCL-RXMQYKEDSA-N	246.654	-0.295	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cccc(C(=O)NN)n1	1996576822	QYARFLAJNQKPFE-ZETCQYMHSA-N	234.259	-0.194	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1996927075	XKBKRILGYFAGTO-SNVBAGLBSA-N	244.314	-0.661	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3CC(C3)C2)O1	1999982642	CRDZVXLFBLFTHH-TVUZUIDESA-N	239.319	-0.134	50	10	BBGE	
C[C@]12CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@@]1(CO)C2	2001045214	GGDKBPOPDTYVDN-FSZOTQKASA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](N2CCCC2=O)C1	2004408041	RRJVCPKJWXALRU-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
Cc1cc(N(C)[C@@H]2CCOC2)ncc1B(O)O	2004918259	JLCXKMJQIPBEFT-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
COC(C)(C)COc1ncc(B(O)O)c(C)n1	2004933214	DMZMOVQCXONJBD-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)c1ccnn1C	2008870140	KLPPRBCUGJDWRB-UHFFFAOYSA-N	247.249	-0.128	50	10	BBGE	
N#CC1CN(C(=O)N[C@H]2CCC=C2B(O)O)C1	2020062463	RECULTRAMKNITB-VIFPVBQESA-N	235.052	-0.748	50	10	BBGE	
C=C(CN(C)[C@@H]1CO[C@]2(CCOC2)C1)B(O)O	2021158015	VOWYMWFPEZSKOZ-WDEREUQCSA-N	241.096	-0.566	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]1CF	2022196961	VKZMSYRBSJJWIO-MRVPVSSYSA-N	237.039	-0.450	50	10	BBGE	
CN1CC(N(C)Cc2ncccc2C(=O)NN)C1	2028804755	KDDHJDFEFRTCKM-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@]23CCOC3)nc1	2052470966	BNJCUOBSXAEIQO-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2COCC[C@H]21	2052498613	GWBZVNGCLIWFNT-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1N1CCOC[C@H]1C1CC1	2052498648	HNIGSLDLGFHNRD-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
N#Cc1c(OC(F)F)ccc(B(O)O)c1C=O	2060276479	UKMQUWWKYBINOM-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
OB(O)c1csnc1COCCF	2209231725	BTOFFBUYONZXFS-UHFFFAOYSA-N	205.019	-0.691	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212287536	ZNDUWXGEWUTIPS-JIGDXULJSA-N	220.037	-0.666	50	10	BBGE	
CC(C)=CCCN=c1cc(B(O)O)cc[nH]1	2212604049	LKRQIGCKAQCHEI-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CC(C)[C@@H](N)CNc1ccc(B(O)O)cn1	2212604336	OFFDXIIPFMZWCW-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
CCC/C=C/CN=c1ccc(B(O)O)c[nH]1	2212610455	IZARDMFYUUISMT-SNAWJCMRSA-N	220.081	-0.049	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C=C[C@H]1C2	2212615937	WXEHUZYBWCQNML-IUCAKERBSA-N	216.049	-0.474	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2CC1(C(=O)NN)CC1	2213356601	RGFPYWIDZPJODZ-YWVKMMECSA-N	239.319	-0.398	50	10	BBGE	
N#Cc1ncccc1OCCOCC(=O)NN	2214885355	CSFZMSUGLQTOLH-UHFFFAOYSA-N	236.231	-0.661	50	10	BBGE	
CN1C(=O)CN(CC2(C(=O)NN)CCC2)C1=O	2216496468	BNUFTDUCAMPNKF-UHFFFAOYSA-N	240.263	-0.959	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2CO)CCCCC1	2216882175	VOTHGXNDRZAQNK-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)CN(C)C	2217175350	HPXDSIDBDIZQGR-VIFPVBQESA-N	237.112	-0.629	50	10	BBGE	
CC1(C)[C@@H](Nc2cc(B(O)O)ccn2)C[C@H]1O	2217178154	SBOSMSPXQOMAOC-DTWKUNHWSA-N	236.080	-0.667	50	10	BBGE	
C[C@@]1(N)CCCN(c2ncccc2B(O)O)C1	2217178486	WOZMIDVMPZVTAU-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1ccc(NCc2ccncn2)nc1	2217181246	YWXHPBXKOPGHJR-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H](CN)C2)cc1B(O)O	2217184848	RMPJQEPELAZVRD-DTORHVGOSA-N	235.096	-0.781	50	10	BBGE	
CCNCCCCOc1cc(B(O)O)ccn1	2217191619	UNBQSKPDQOJBGB-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncon1	2217199516	MZBBUKSJUJESGG-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC=CC[C@H]21	2217199697	OIVWODPWHGJAQM-MWLCHTKSSA-N	230.076	-0.084	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1Nc1cc(B(O)O)ccn1	2223626606	IMVQSGQKZBSMLQ-PWSUYJOCSA-N	249.123	-0.440	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2223632134	GBYZPYWQBYQEKB-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
Cc1cnc(N(C)[C@H](CN)C2CC2)cc1B(O)O	2223647913	FGSMRGHYYDXRLY-LLVKDONJSA-N	249.123	-0.757	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@H]1Oc1cc(B(O)O)ccn1	2223662302	STLJILNXXRZFEE-KOLCDFICSA-N	248.091	-0.590	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@H](CN)OC1	2241263677	JASZSUVVGYHGRB-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
O=C(F)Nc1ncc(B(O)O)cc1F	2241511347	UFMAJEFASPCWLZ-UHFFFAOYSA-N	201.925	-0.598	50	10	BBGE	
NNC(=O)COCCSCC1COC1	2241888859	OHRXHGLZZZOWHO-UHFFFAOYSA-N	220.294	-0.628	50	10	BBGE	
CN(C)NC(=O)CNC1CCOCC1	2242098230	LKRPRKLMOKHQHK-UHFFFAOYSA-N	201.270	-0.652	50	10	BBGE	
O=C(N=c1cccn[nH]1)C1(B(O)O)CCC1	2243346582	AXPQTUJPXBAPTN-UHFFFAOYSA-N	221.025	-0.766	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccsc1B(O)O	2243359103	OTXOPHHHYACFPY-RXMQYKEDSA-N	247.031	-0.435	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2sccc2C1	2243361550	CSPOZKAXFQRDKO-UHFFFAOYSA-N	235.073	-0.352	50	10	BBGE	
COC[C@H](C)[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243396852	RRLPUFXYBDCXKR-JBDRJPRFSA-N	229.085	-0.364	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)o1	2243398687	GUTHPLZMTCIZQE-PHDIDXHHSA-N	221.021	-0.902	50	10	BBGE	
O=C(NCC1CCOCC1)C1(B(O)O)CC1	2243409704	NFVYTJOZEJHYOE-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CC1	2243410450	BPSWBKDDCATSFF-ZKCHVHJHSA-N	226.085	-0.621	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)C2(B(O)O)CC2)C1	2243410813	IGSXZGGOYNQRJU-SECBINFHSA-N	222.053	-0.244	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243413600	JRCLQZGSXHTJQX-ZETCQYMHSA-N	221.021	-0.981	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2[C@H](C1)C2(F)F	2243415668	ZPBGYOYYXCJXFX-JWXFUTCRSA-N	231.007	-0.427	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)[C@H]1C[C@@H]1B(O)O	2245060043	IABVACDUYSDGBF-GHCJXIJMSA-N	225.053	-0.856	50	10	BBGE	
C=C=CCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245913372	QJMICWQCKUQZRX-UHFFFAOYSA-N	238.483	-0.020	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccncc1B(O)O	2247721441	DEWATAYBRPHYJO-SSDOTTSWSA-N	240.043	-0.761	50	10	BBGE	
CC[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2247750279	GZPURDGPOBEFNR-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
O=C(NCCO[C@@H]1CC1(F)F)C1(B(O)O)CC1	2247750465	JWXASAKOIALGOR-ZCFIWIBFSA-N	249.022	-0.466	50	10	BBGE	
CC12COC(CNC(=O)C3(B(O)O)CC3)(C1)C2	2247750870	PCPTYWQGDDTCDC-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
O=C(N1CC[C@@H](N2CCC2)C1)C1(B(O)O)CC1	2247753480	HNXLSNMGFSVREE-SECBINFHSA-N	238.096	-0.700	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CCC2)[C@H]1O	2247757641	RBYBDCHHUHRXCV-HTQZYQBOSA-N	241.096	-0.341	50	10	BBGE	
O=C(N1CCC[C@]12CCOC2)C1(B(O)O)CC1	2247758795	WTFWMVFBSFZQEF-SNVBAGLBSA-N	239.080	-0.225	50	10	BBGE	
CCc1nocc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247797501	KGQOYLSJUJAVMT-YUMQZZPRSA-N	238.052	-0.284	50	10	BBGE	
C=CCN(C(=O)c1occc1B(O)O)C1CC1	2247853562	OBDZYDGUYFYJJA-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
Cc1nc(CCNC(=O)C2(B(O)O)CC2)co1	2247854904	KIXDDMWJRCZXNG-UHFFFAOYSA-N	238.052	-0.351	50	10	BBGE	
CO[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247872064	MDXGEAAFRFVIOP-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)C1(B(O)O)CCC1	2247878607	ORQLYXKXCURQPZ-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@@H]1CO[C@H](C2CC2)C1)C1(B(O)O)CC1	2247879312	SJTHNLBEPRAAEQ-IUCAKERBSA-N	239.080	-0.323	50	10	BBGE	
CN1CCCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247879632	WKHGDDWRZKPQJD-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1COCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247892799	IADHMHKUACCBLK-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CCCN(C(=O)C2CC(B(O)O)C2)CC1	2247893781	YGIZALCYMWGDQB-RTBKNWGFSA-N	240.112	-0.421	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898022	ZPFMXISUKFJCDY-HRDYMLBCSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CO2)[C@H]1C[C@H]1B(O)O	2247900631	YJLDWBCHSKIPMW-RXKWGBCNSA-N	239.080	-0.467	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)C1CC(B(O)O)C1	2247902880	HZOMGNQAIHHWTP-UHFFFAOYSA-N	237.064	-0.079	50	10	BBGE	
C[C@H]1CNCCN(C(=O)C2CC(B(O)O)C2)C1	2247904632	QUFSCXYIBZTHKY-IDKOKCKLSA-N	240.112	-0.693	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@]23C[C@@H]3N)CC1	2248161359	RAMDUNKFZCFVRL-HOTUBEGUSA-N	235.287	-0.399	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2248576104	JKDSXJSUDDHAJL-KKMMWDRVSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1CC(B(O)O)C1	2248586394	AHWHQLUGAXESTP-JECWYVHBSA-N	243.068	-0.391	50	10	BBGE	
CCn1cnnc1CN1CCC(B(O)O)CC1	2249378267	MDRPWQYVZZCEAW-UHFFFAOYSA-N	238.100	-0.263	50	10	BBGE	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NCCC#CB(O)O	2249999489	WKBIVNBUDYIKMH-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
Cc1cc(O)ccc1CNC(=O)C#CB(O)O	2253329879	RXGNYHDDEFXQHU-UHFFFAOYSA-N	233.032	-0.668	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2255453317	PZYYYRMJQLJCDN-ILWJIGKKSA-N	249.075	-0.265	50	10	BBGE	
O=C(NC1CC(n2ccnc2)C1)C1(B(O)O)CC1	2255487667	SKJASFWULZGUFW-UHFFFAOYSA-N	249.079	-0.290	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)ccc1OC	2255500897	NYLJJFGTYWXEOP-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@@H]21	2255511676	NISQEXOFZXSXPQ-SCZZXKLOSA-N	248.091	-0.578	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)cn1CC	2255513109	LJFCBQWQTDGLOX-VIFPVBQESA-N	248.091	-0.719	50	10	BBGE	
O=C(C#CB(O)O)N1CCCNc2ccccc21	2255672547	IXKCCZVNPNUJKT-UHFFFAOYSA-N	244.059	-0.149	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CCCO2	2255680734	NEDVIAQKEFDVHR-UHFFFAOYSA-N	245.043	-0.035	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC[C@H]2C[C@@H]21	2255735132	NUGOPYFZGROMAS-XVKPBYJWSA-N	249.050	-0.260	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298164789	IOTFXLTWAFQKFE-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H](O)[C@@H](F)C1	2298165167	FTCRQBFPOPLSJP-QCLAVDOMSA-N	245.298	-0.593	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H]2CC[C@@H]2C(=O)NN)C1=O	2298165367	WQLLIHOOJAJHEZ-FXQIFTODSA-N	239.275	-0.603	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298368570	MELQRFIUESIDHZ-CHIWXEEVSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCO1	2298376924	XKAPFOUVYFGTFJ-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299769630	GYMZUGSSVBJJIH-HOSYDEDBSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2(CC(O)C2)C1	2302058805	GUDCPTYZBODBTO-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CC2CC(C(=O)NCC=CB(O)O)(C2)O1	2303047096	ARHTUFATLQCZHZ-FKTRJACZSA-N	239.080	-0.372	50	10	BBGE	
CC[C@@H](COc1cc(B(O)O)c(F)cn1)NC	2303855765	PIVFXRQWQVILBN-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)[C@@H]3C=C[C@H]2C3)n1	2308762261	GVQKAGCYZACXFM-RQJHMYQMSA-N	248.242	-0.435	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H](O)[C@H]2C3)cc1B(O)O	2312612285	NKXZIXPXEDVGGO-JMJZKYOTSA-N	248.091	-0.971	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@H]1CO	2317162817	UJEYKEKYSKZYGB-UWVGGRQHSA-N	246.075	-0.722	50	10	BBGE	
CN(C)c1ncc(C=NNC(=O)CC#N)cn1	2321717853	VKVIOJIGEJHONA-UHFFFAOYSA-N	232.247	-0.094	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2	36948114	DSBSEQQLYODLCP-UHFFFAOYSA-N	237.215	-0.614	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)NC1CC1	49144770	WIVPTHLIBYKOAP-UHFFFAOYSA-N	242.279	-0.605	50	10	BBGE	
C[C@H](Cc1ccsc1)NC(=O)C(=O)NN	49188633	OGMUCCAWIIJZRR-ZCFIWIBFSA-N	227.289	-0.215	50	10	BBGE	
CN(C)CCSC[C@@H]1CC[C@H](C(=O)NN)O1	87417301	DKFCBRSZPLDWHU-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
COCCN(CCCC(=O)NN)[C@H](C)COC	104111994	NPEBCLBGSIIBPM-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CN1CCCC[C@@H]1CN1CC(=O)OC(=O)C1	111218125	SOOHXDLWVADMMX-SECBINFHSA-N	226.276	-0.144	50	10	BBGE	
Cn1ccn(C[C@@H](Cl)C#N)c(=O)c1=O	132586974	IHWUITOPUQSLRS-LURJTMIESA-N	213.624	-0.322	50	10	BBGE	
CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	167563297	DEFVYNIQASSFCI-PHDIDXHHSA-N	240.712	-0.290	50	10	BBGE	
Cc1nc(-c2ccc(F)cc2B(O)O)no1	170013701	QQEPBXNHLFQBQI-UHFFFAOYSA-N	221.984	-0.136	50	10	BBGE	
COC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)C	171379706	HCXFEMAERCWPCK-RNFRBKRXSA-N	242.275	-0.011	50	10	BBGE	
Nc1ncncc1C(=O)NNC(=O)c1ccc[nH]1	192328678	KBALWRJLYFAEAH-UHFFFAOYSA-N	246.230	-0.538	50	10	BBGE	
COCOCc1c(B(O)O)ccc2c1OCO2	197244227	AWBXEIWOEVSOFJ-UHFFFAOYSA-N	240.020	-0.784	50	10	BBGE	
CCC[C@H](Sc1nnnn1C)C(=O)NN	211726983	QFBJONWWZMYPAP-YFKPBYRVSA-N	230.297	-0.539	50	10	BBGE	
C[C@H]1CSCCN1[C@H](C)C(=O)NN	226402146	KPBFPEKOMURHBV-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
CCN(CCCO)C[C@H]1CC[C@@H](C(=O)NN)O1	231868070	MQGCSZPBDMNZGT-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@H]1C	251876085	UKMAEJDSXXGQGB-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)C[C@H]1O	299908571	JSKXGHYNXDNPDE-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CCNC(=O)CS[C@H](C)C(=O)NN	300788688	COILDOWDKDJPLB-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](C)(CO)C1	307142965	FYDMNVVEVWRIKF-IONNQARKSA-N	201.270	-0.931	50	10	BBGE	
CNc1ncc(C(=O)NNC(C)=O)s1	307630916	ZDTHRRLZVDWGJZ-UHFFFAOYSA-N	214.250	-0.034	50	10	BBGE	
CC(=O)NC1CN(C(=O)NC(=O)CCCl)C1	388823979	LUAUVWZZGGCJNG-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
Cc1nn(C)c2c1C[C@@H](NC(=O)NN)CN2	390335582	LHQKMYVYOCOSMZ-ZCFIWIBFSA-N	224.268	-0.762	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(O)(C2CC2)C1	395806699	IXRUIVZSGPWJRN-SECBINFHSA-N	241.335	-0.152	50	10	BBGE	
COC(=O)CCc1c(S)cccc1B(O)O	396053217	CYRGPUIRLJIYKG-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
Nc1c(B(O)O)ccc2sc(C=O)cc12	396254260	KEPHVXGPHALFFS-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@@]1(CO)CCN(C[C@H](O)CCl)C1	401968979	JCOBHHQMWNUANU-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CCCOCC(=O)Nc1cccc(B(O)O)n1	405012570	VAUQRPSPQQTDQU-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
C=CCNC(=O)Nc1ccc(F)cc1B(O)O	405173829	YDXHYTUNGKMMGI-UHFFFAOYSA-N	238.027	-0.187	50	10	BBGE	
CC(C)n1nc(C(F)(F)F)c(N)c1B(O)O	584881704	ZSRFXPVLSJEXHN-UHFFFAOYSA-N	236.990	-0.255	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(CCC(=O)NN)C1	688959067	LPIKXSDNZXDLMI-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CO[C@H]1CCCN(CCC(=O)NN)CC1	692061186	GXJVICXQPINPJZ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
OB(O)c1cnn(COC2CCCC2)c1	694532989	YJQNVJLHHJTALL-UHFFFAOYSA-N	210.042	-0.520	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCOC3(CCC3)C2)c1	694549611	VJEDBAWQGOIJQU-SNVBAGLBSA-N	236.080	-0.163	50	10	BBGE	
CSSCCNC(=O)C[C@H](O)CN	705634497	VQUGMCWOELAYMF-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
C[C@@H](c1cn(C)cn1)N(C)CCC(=O)NN	710166069	GLZVZQXRJBBUPH-QMMMGPOBSA-N	225.296	-0.207	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1nccc(OC)n1	900159415	FZXXHLNIFPQRQQ-SDLBARTOSA-N	238.247	-0.135	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cn1	1116280632	WWMJHNJIEQIAIR-UHFFFAOYSA-N	239.191	-0.436	50	10	BBGE	
CC(=O)NNC(=O)CCCC(=O)N(C)C	1135818181	KZKYUWUWHQHIEV-UHFFFAOYSA-N	215.253	-0.588	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2nn[nH]c2n1	1136045937	KJKQVNVDEGZTAI-UHFFFAOYSA-N	220.192	-0.866	50	10	BBGE	
Cn1nncc1NNC(=O)Cc1cncc(O)c1	1457830276	PZWXPXOSOUGHLF-UHFFFAOYSA-N	248.246	-0.399	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnncc1O	1583489107	QZBLOKARIXWQGA-UHFFFAOYSA-N	225.208	-0.854	50	10	BBGE	
CN(NC(=O)c1cnn2c1CCC2)C(N)=O	1623316839	YUHVFKPUWZXICZ-UHFFFAOYSA-N	223.236	-0.515	50	10	BBGE	
CNC(=O)CCCCC(=O)NNC(=O)NC	1625507422	SQWDADVFWFRYJH-UHFFFAOYSA-N	230.268	-0.747	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1nsnc1O	1625912742	QZIWBHAEZYVEBB-UHFFFAOYSA-N	231.237	-0.840	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCN(C[C@@H](O)CCl)C1	1885396088	DZEGQMSTINLUPO-JGVFFNPUSA-N	241.740	-0.295	50	10	BBGE	
OB(O)c1cnc(OCCF)c(Cl)c1	1886033431	MSWCTURDKIISGI-UHFFFAOYSA-N	219.408	-0.237	50	10	BBGE	
C[C@H]1CN(C(=O)F)C[C@H]1CS(N)(=O)=O	1887172887	FMKFBXPKPYQBFK-WDSKDSINSA-N	224.257	-0.068	50	10	BBGE	
CNC(=O)CN1CCN(C(=O)F)CC1	1887173183	ITOJFOFOZPEJEP-UHFFFAOYSA-N	203.217	-0.561	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC([C@@H](O)CO)C1	1887274090	TUYJVWJZWSYUBT-VDTYLAMSSA-N	207.657	-0.575	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@H](O)[C@@H](O)C1	1887702678	BBGXAVYNFYTCHS-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=O)CCCOC1	1888178057	WUOULDCAWGKQEZ-MRVPVSSYSA-N	201.226	-0.497	50	10	BBGE	
C[C@@H](COC[C@@H]1CCCO1)C(=O)NN	1888707829	MHZOEYGHACHJIU-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
CC(C)[C@H](O)CN1CC[C@@H](B(O)O)C1	1891490612	FIOSTMUQMCJPLX-RKDXNWHRSA-N	201.075	-0.448	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC(F)C1	1892926069	YGUKHNJTDLQDQT-UHFFFAOYSA-N	201.006	-0.581	50	10	BBGE	
C=CC1(NC(=O)C=CC(=O)Cl)CNC1	1893417495	PAXWJFUKMPDZAI-UHFFFAOYSA-N	214.652	-0.048	50	10	BBGE	
COC1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	1900506077	JOICYWFXQZJHPS-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CN(Cc1nscc1B(O)O)C[C@@H]1CCO1	1902003283	JUJCMUOJOPLSOE-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@](C)(O)C1)C(=O)NN	1902716576	UONZGIYMSOQQFE-WDEREUQCSA-N	229.324	-0.151	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCSC1	1902756718	CHFLOCDHMBFNCN-UHFFFAOYSA-N	241.320	-0.470	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ncncc1B(O)O)C2	1907072900	RGWGIPNOGDRWND-GZMMTYOYSA-N	233.080	-0.607	50	10	BBGE	
CO[C@@H]1[C@@H]2CCN(C(=O)C(=O)NN)[C@@H]2C1(C)C	1907894360	UCGFWFZNKXUHKQ-GJMOJQLCSA-N	241.291	-0.752	50	10	BBGE	
C[C@H]1C(CN(C)c2ncc(B(O)O)cn2)[C@@H]1C	1907996188	MFKOUAFDHUIIIK-HTQZYQBOSA-N	235.096	-0.505	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C[C@H]1O	1908358091	LROGIXGLGNXNHR-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C(=O)C[C@@H](C)O1	1912248867	YKEPIPXHKTXAHX-HLTSFMKQSA-N	243.307	-0.362	50	10	BBGE	
NNC(=O)COCCO[C@@H]1C[C@H]2C=C[C@H]1C2	1913352243	RFRPBNLWZFRSCH-LPEHRKFASA-N	226.276	-0.026	50	10	BBGE	
CCCN(CCC(=O)NN)S(C)(=O)=O	1913817354	NEGYXDDSFFNWHE-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914396149	KWLDWHVCXYLLRO-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CC(O)C1	1914601829	XQLVBHKCDATXFO-KKMMWDRVSA-N	201.270	-0.790	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CNCCOC2)CC1	1917085589	YEVKVQHDUIEQKF-NSHDSACASA-N	235.287	-0.095	50	10	BBGE	
CNC(=O)CCSCC(F)(F)C(=O)NN	1927816098	HSRRIMHHQYBZGK-UHFFFAOYSA-N	241.263	-0.519	50	10	BBGE	
O=C(NNCCO)c1cnc(Cl)cn1	1929835924	ZSTAVGNLLMASQE-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
CN(C[C@H]1CC1(F)F)C(=O)C(=O)NN	1933032038	JCBVYTVJDVKGRI-SCSAIBSYSA-N	207.180	-0.910	50	10	BBGE	
O=c1[nH]cc[nH]c1=NC[C@@H]1COC[C@H]1Cl	1933392435	OAYLVCKXTCJKJL-RNFRBKRXSA-N	229.667	-0.143	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@]12CCOC2	1935064925	MRSHGJYYFKDMMI-XRGYYRRGSA-N	215.278	-0.723	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccnc1[N+](=O)[O-]	1936094900	RFUQHSYKVMTQHI-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
COC(C)(C)CCOCCOCC(=O)NN	1936531979	GWCIYZJWVZKHGP-UHFFFAOYSA-N	234.296	-0.175	50	10	BBGE	
CCOC[C@@H](Cl)CNC(=O)Cn1cnnn1	1937160306	SXXZDPAQBVBEBA-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
CN(Cc1ccnn1C)CC1(C(=O)NN)CC1	1945912948	PPLQQXOWXXBASF-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
C[C@@H](CN1CC2(CCC2)C[C@@H]1CO)C(=O)NN	1946221524	GHQOGKXATKJIHV-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951019248	RKRBCVFXMIVRIL-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCNC(=O)C1	1954505686	IMNGQQPLPKPWEH-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CC1(C)[C@H](CO)OCCN1C(=O)NN	1955413958	GRWZSOYDLMOADP-LURJTMIESA-N	203.242	-0.959	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H]1CC(=O)O	1956355152	KZZBGEUGXQOPFO-LURJTMIESA-N	201.226	-0.278	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@H](O)CCl)C1	1956439981	KZWHDLSLZYTBBK-YIZRAAEISA-N	223.700	-0.332	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H](O)C1	1956714773	YDFJCNIHOCNKFV-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](OC[C@H]1CCCOC1)C(=O)NN	1956965900	ZXQVFJDEMBTAHD-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)C(=O)NN)no1	1958699861	RWGFYNGAYIOBJG-YFKPBYRVSA-N	213.241	-0.812	50	10	BBGE	
CC[C@@H](O)CN(C)[C@@H](C(=O)NN)C(C)C	1959516348	FWDFMIKUPWVHRD-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C[C@H](C)C(=O)NN	1960663085	NGJUFIKZNZPYMO-IUCAKERBSA-N	217.313	-0.439	50	10	BBGE	
CCOC(=O)C(C#N)=C[C@@H]1COCCN1	1961740884	UCVQYQKTDSUGGU-SECBINFHSA-N	210.233	-0.012	50	10	BBGE	
Cc1n[nH]cc1C(=O)N1CCC(B(O)O)CC1	1964499620	BNNMFWNHLSZXJX-UHFFFAOYSA-N	237.068	-0.203	50	10	BBGE	
O=C([C@@H]1C[C@]12CCOC2)N1CC[C@H](B(O)O)C1	1972412819	KRRUMPHYCRDHFT-QXEWZRGKSA-N	239.080	-0.512	50	10	BBGE	
C[C@H](CN(C)[C@H]1CN2CC[C@H]1C2)C(=O)NN	1976086670	GLFFAZRBGKIXMK-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cn(C)cn1	1976739850	RAFNVJMUEKACHJ-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
NNC(=O)C(=O)NCC1[C@H]2CCCCC[C@H]12	1979729953	GDJYCAUEDJAOOF-YUMQZZPRSA-N	225.292	-0.081	50	10	BBGE	
CN(CC1CSC1)c1ccc(B(O)O)cn1	1981409667	PWBXSQAPFZABKW-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
COC[C@H](C)Oc1ccc(F)c(B(O)O)c1	1981500414	MFBBHCJZXUUILB-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
C[C@H](CCOC[C@H]1C[C@@H]1C(=O)NN)N(C)C	1983693743	KJSLURPLZMTOMP-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCOC2=O)C1	1985356282	CVASMSQHXVMADF-SFYZADRCSA-N	227.264	-0.155	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@@H]1CF	1985770448	VDXRMZVFGQCGMQ-LURJTMIESA-N	241.213	-0.718	50	10	BBGE	
O=C(CCl)NC(=O)N1CCNC(=O)C12CC2	1987974855	ZDGFWTCXYOVHFR-UHFFFAOYSA-N	245.666	-0.574	50	10	BBGE	
CN1C[C@H](C(=O)O)N(C[C@@H]2C[C@H]2Cl)CC1=O	1991439690	UMBOIZWHHGSYLZ-XLPZGREQSA-N	246.694	-0.159	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)C=CC(=O)Cl)C[C@H]1O	1991650448	NDXBMBMRCMDPKC-JGVFFNPUSA-N	246.694	-0.559	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)C12CCC2	1993528942	PGCWQEQCXJMAKD-IUCAKERBSA-N	227.308	-0.400	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COC2(CCC2)[C@H]1Cl	1995075720	YDTOAWNCQYMILQ-BQBZGAKWSA-N	243.698	-0.027	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@@H](C)C1	1997243117	DKFLUFVROHQNCW-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C(C)C	1998136108	XHUWCZUZZRBESJ-SFYZADRCSA-N	245.084	-0.289	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@@H]2C1=O	2004109287	OXJLLCCBENIRKS-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
CC[C@@H]1CCN(c2ncnc(C)c2B(O)O)C1	2004973583	XDRUELULICSJLP-SECBINFHSA-N	235.096	-0.299	50	10	BBGE	
CCN(c1ccc(B(O)O)c(C)n1)C1COC1	2005014241	IUZJGSZCENTRDP-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1[C@@H]2COC[C@@H]21	2006164901	BWZVNCZPVHSKGZ-JDDHQFAOSA-N	237.255	-0.205	50	10	BBGE	
C=CC[C@H](C)n1cnc2c(B(O)O)ncnc21	2007067760	BSXMNISWDVJCPY-ZETCQYMHSA-N	232.052	-0.357	50	10	BBGE	
CC1(O)CC2(CN(C[C@H]3C[C@H]3C(=O)NN)C2)C1	2011899466	DDHHSXXUIDRXKP-RKDXNWHRSA-N	239.319	-0.541	50	10	BBGE	
CN(C)[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)C1	2012112627	IFIUKZAWSCTRPM-AOOOYVTPSA-N	236.080	-0.767	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cccnn1	2020066967	BNYRVTDQXUJGEM-MRVPVSSYSA-N	233.036	-0.693	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@H]21	2040764916	JMVAKOINTCZJGU-FXBDTBDDSA-N	246.075	-0.254	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@H](C3)C2)c1B(O)O	2052560042	SANCXRFTBWNYBE-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@]2(C)C[C@@H]2C)n1	2052620689	WWYVTOAYAPZRJB-QPUJVOFHSA-N	249.123	-0.053	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(C#N)c1B(O)O	2060211964	KIVZVYREEYITAC-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
N#Cc1cc(C=O)c(B(O)O)cc1C(F)F	2060231902	PMMWAIRMBOHMHX-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CO[C@@H](C(=O)NCC#CB(O)O)c1ccccc1	2077482725	JEESPPZSQLGEAL-LLVKDONJSA-N	247.059	-0.494	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1O[C@H]2C=C[C@H]1C2	2079011282	BTBFECMWWUHCOA-QWRGUYRKSA-N	245.043	-0.549	50	10	BBGE	
COCC1(C(=O)NN(C)C)CC(N)C1	2209442326	OBKIPIQJOACUQG-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
Cn1nnc(CNCC#CCCCl)n1	2209514729	PJSDJHKOGKFXQW-UHFFFAOYSA-N	213.672	-0.068	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@@H]1CCC[C@@H]1O	2210165593	NXWVNEBMMAVKFF-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CN1C[C@@H]2CCC[C@H](C1)N2CCC(=O)NN	2210732182	XUFKWKDDEWZBDH-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
C#CCCCN=c1cc(B(O)O)c(C)c[nH]1	2212603450	GHUQNCSHXJFDNQ-UHFFFAOYSA-N	218.065	-0.683	50	10	BBGE	
Cc1cnc(OC[C@@H](C)CN)cc1B(O)O	2212604361	OSAGXZZOBLLUIG-ZETCQYMHSA-N	224.069	-0.957	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2OC[C@H]3CCC[C@@H]32)n1	2213221151	JDMVOKGYLFXMLB-UTLUCORTSA-N	236.080	-0.622	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)CC(C)(C)CO	2215776410	MPSJJCAWBSTMMU-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
C[C@H](O)CN(c1ccc(B(O)O)cn1)C1CC1	2217172273	IUANZAZWLJBGIM-QMMMGPOBSA-N	236.080	-0.889	50	10	BBGE	
OC[C@@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217177599	KUMQKMPQCJORFX-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNc1ncccc1B(O)O	2217184024	PVHMMGOPNUBMDQ-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNC23CCC3)nc1	2217187671	CCFFBOXHFQPXQC-VIFPVBQESA-N	234.064	-0.965	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)C[C@H]1N	2220070820	FUNKZMFKAADLHQ-GFCCVEGCSA-N	248.135	-0.465	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)ccn2)c(C)o1	2223631910	CIXROQWCYHHDRH-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@]12CCCO2	2223632552	LKWPDGOJFKDORQ-ZYHUDNBSSA-N	248.091	-0.115	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1c1ccc(B(O)O)cn1	2223633956	DFIJPJKJHIPWEN-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)N1CCCC1	2223641823	DMEHOWKTLIUZNC-JTQLQIEISA-N	249.123	-0.921	50	10	BBGE	
Cc1cnc(N2CC[C@@H](CCN)C2)cc1B(O)O	2223651268	WAFISUGMSIPTMV-SNVBAGLBSA-N	249.123	-0.755	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(c2cc(B(O)O)ccn2)C1	2223670433	XVXJSOUTOTXBDZ-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
N#Cc1ccc(Nc2cc(B(O)O)ccn2)cn1	2223679133	LVPPNMRGUHCYLP-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
Cn1c(O)cn(C(=O)CBr)c1=O	2241373853	YKBYRWPCOMENMD-UHFFFAOYSA-N	235.037	-0.073	50	10	BBGE	
O=C(CCCl)NC1CC(O)(CO)C1	2241591877	BRSDURAFFWYZCV-UHFFFAOYSA-N	207.657	-0.383	50	10	BBGE	
C[C@@H](C[S@](C)=O)NC(=O)C1(B(O)O)CCC1	2243347535	NHDSNGRCXVQZMS-GYKQLYQFSA-N	247.125	-0.733	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC=CCC1	2243347738	OVGVDRKQWZISQO-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CCC[C@@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2243357226	TUWATWPIUHTGMC-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
O=C(NCC1(F)CC1)c1cc(B(O)O)sn1	2243378394	RZZXNQJFOHCTNX-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@@H]2C[C@H]21	2243386049	UAVVLYUNXYYPKE-HTRCEHHLSA-N	237.089	-0.338	50	10	BBGE	
CN(CC[C@H]1CCCO1)C(=O)C#CB(O)O	2243400298	YUWXDKFTMSHJBO-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(C)COC1	2243410426	BKBKSZAYKIUWPV-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NC[C@@H](C)F	2243420115	MXZLPBVCCZBTKP-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C(N1CC[C@@H](CCO)C1)C1(B(O)O)CCC1	2247737887	LIOLIMIRODKRQY-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]([C@H]2CCCO2)C1	2247739242	ZHPKLERSBWALAQ-VHSXEESVSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)NCc1conc1C1CC1	2247739280	ZYNSSNSUZKRYEQ-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1CN2)[C@H]1C[C@@H](B(O)O)C1	2247785616	NUJRCFHLYCJZGS-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
CN1CC=C(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247791643	ODESSKHHPGFJKS-NXEZZACHSA-N	238.096	-0.773	50	10	BBGE	
COC12CC(C1)N(C(=O)C1CC(B(O)O)C1)C2	2247799089	ZPVRSQLHKAATPC-UHFFFAOYSA-N	239.080	-0.371	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247799646	GHTNPODTDLUTGJ-ZOZBQHSOSA-N	239.080	-0.921	50	10	BBGE	
CCCN(CCN(C)C)C(=O)[C@@H]1C[C@H]1B(O)O	2247800473	PLNKKDYYECMHIY-NXEZZACHSA-N	242.128	-0.351	50	10	BBGE	
CN(Cc1cocn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247800814	SZEULHBRACZVOZ-ZKCHVHJHSA-N	238.052	-0.114	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCNC1	2247807427	RCFMXTIPUJIEDQ-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CN1CC2(CCN(C(=O)[C@H]3C[C@@H]3B(O)O)C2)C1	2247809598	ZWQOXFCJLWUIIV-IUCAKERBSA-N	238.096	-0.987	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2247810148	VEXMPOHZHJDEPO-RAFDWRRTSA-N	235.092	-0.038	50	10	BBGE	
C[C@H](N(C)C(=O)C#CB(O)O)[C@@]1(C)CC1(F)F	2247850299	MPNHBBHQCMPQJF-IONNQARKSA-N	245.034	-0.106	50	10	BBGE	
COC(=O)[C@H](C)CN(C)C(=O)C1(B(O)O)CC1	2247855538	UKGPQXFAMGBGFH-SSDOTTSWSA-N	243.068	-0.739	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247859786	PGEDAKPTCKEJHC-SEZDTBSWSA-N	241.096	-0.389	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)oc1C	2247867246	BIFLRJAGJKIULH-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cn1)C1CC1	2247868113	CNINNEGXCVEQTE-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CCCN(O)C(=O)c1cc(C)ccc1B(O)O	2247873830	MOFNWKOOYLSBPZ-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247878922	QGCIPDOJMCFQDO-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@@H]1O	2247895833	VPTUSJCGIWTTEL-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
O=C(O)C1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2248573418	DRQVHSVDZXAIJY-LJGSYFOKSA-N	241.052	-0.780	50	10	BBGE	
CCCN(C)C(=O)c1ncc(B(O)O)cc1C	2248968352	LEECIWLBKKXUOU-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2248970585	WRSSXVXKWCTIOM-MRVPVSSYSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2249407751	BTMAMMQPPGETNC-JTQLQIEISA-N	237.064	-0.122	50	10	BBGE	
CO[C@H]1CC[C@H]1CC(=O)NCCC#CB(O)O	2250008736	PJMLRKNURPMRPT-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=CC12CCC2	2255461913	OGYIFGVNHMXLCJ-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1F	2255500709	MCWCZUYYUSDPRA-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)c(C)c1	2255509321	JNYVZUGZPVCCKT-LLVKDONJSA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255679482	MIVSXOMXBBERIU-QXFUBDJGSA-N	248.091	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1occc1B(O)O	2255741183	KIIKASLDZLOVNB-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1ccc(B(O)O)cn1	2256635933	LXPIDAPGPQUVNR-UHFFFAOYSA-N	246.075	-0.251	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1cocc1B(O)O	2258136400	LHKALVPGOXTDPC-KWQFWETISA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)c1ccccc1B(O)O	2263967434	BWVASBPTEABNMR-SECBINFHSA-N	249.075	-0.725	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377180	HGZAGXFAMMQQSO-QCLAVDOMSA-N	240.112	-0.517	50	10	BBGE	
COC[C@H](OC[C@@H]1N(C)CC1(C)C)C(=O)NN	2299035306	MFTBZXYTEXMSRM-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
CCc1ccnc(CN(C)C(=O)C(=O)NN)c1	2300256555	PHGPBJUMOPFSQF-UHFFFAOYSA-N	236.275	-0.408	50	10	BBGE	
CC1(C)COC[C@@H]1COCCOCC(=O)NN	2301161322	RSHSMTSJQAOWHB-VIFPVBQESA-N	246.307	-0.318	50	10	BBGE	
CC[C@](C)(CN1CC[C@@]2(O)C[C@H]2C1)C(=O)NN	2303427340	XLWUTTIGULOKOI-MVWJERBFSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](N)CCCOc1cc(B(O)O)c(F)cn1	2303848765	DANYBPIUAKKFFM-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1C(=O)C1(B(O)O)CC1	2304251817	KFZUIXWMXZNRMV-DTWKUNHWSA-N	241.096	-0.389	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1CC[C@@H]1N	2317162667	LAENAJGOELMGEV-JQWIXIFHSA-N	245.091	-0.836	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnc3cccnn23)C1	2319655289	FIFWJUSUUXLPAG-SECBINFHSA-N	246.079	-0.222	50	10	BBGE	
COCCCNC(=O)CNC(=O)CCCl	41738701	GRWVYJQYJJSFHK-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
NNC(=O)C1CCN(C2CCOCC2)CC1	58825718	SOTNKABTVDMSAY-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCOC	82469222	IZVOYFDESSPQID-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2ccnc2C1	82469253	OWWDBQOAGNVTRC-QMMMGPOBSA-N	223.280	-0.533	50	10	BBGE	
COCCN(C1CC1)[C@@H](C)CC(=O)NN	82470017	BBWMRYSIMCCZLG-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CCc1cc(C(=O)NNC(N)=S)n(CC)n1	85166712	JALANWBWMBFXCO-UHFFFAOYSA-N	241.320	-0.057	50	10	BBGE	
Cn1cnnc1SCC(C)(C)C(=O)NN	86598274	PGPHNORORRRXPA-UHFFFAOYSA-N	229.309	-0.077	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN(C2CC2)CC1	93072232	BXKJWEWVPPNOOR-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CC(C)(CN1CCNC(=O)C1(C)C)C(=O)NN	93728101	JQZPNJNIHIJCFV-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)CCN1CCCCC[C@@H]1CO	124390405	BLMJTNLPIUQEKS-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)c1coc(COC2COC2)c1	165769155	FKCGGPQDWNGFIP-UHFFFAOYSA-N	212.205	-0.202	50	10	BBGE	
CC(=O)C[C@@H](NC(=O)CCl)C(=O)O	170313768	ULACSRQGXJFPTI-RXMQYKEDSA-N	207.613	-0.226	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1cncn1	199004529	MJACRFSDWHVNBO-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CCOCCOCc1ccccc1B(O)O	203178887	PZGQZNIKWQPKIT-UHFFFAOYSA-N	224.065	-0.081	50	10	BBGE	
COC[C@@H](C)OCc1ccc(B(O)O)cc1	203551327	BAUWDTYNFGBCQU-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@H](N)CC(C)C)B(O)O	213604877	JIYMMGWJMWSCOO-NXEZZACHSA-N	244.144	-0.097	50	10	BBGE	
CO[C@H](C)COc1ccc(F)cc1B(O)O	228582900	SKDDCQRXKVTTCA-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CS(=O)(=O)CC[C@@H]1NC(=O)OC1=O	238358560	GVYYKKDFRIJMIT-BYPYZUCNSA-N	207.207	-0.944	50	10	BBGE	
O=C(CCl)NC(=O)C1CCNCC1	242825594	FNKFYMOCNPWRGQ-UHFFFAOYSA-N	204.657	-0.132	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1CCN(C)C1	252610483	UTDRDQXICBNDME-AXFHLTTASA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)NCc1ccc2[nH]c(=O)oc2c1	258716590	INMREHYNCQQFLE-UHFFFAOYSA-N	222.204	-0.206	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCS1(=O)=O	306625581	GZCGDVFZLRLGHX-SCSAIBSYSA-N	213.642	-0.676	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCOC[C@H]1C	306628697	BXQIHDZFLGBTQK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1NC[C@H](I)C(=O)N1	307759637	SLQAJRFYESMPCU-IMJSIDKUSA-N	240.044	-0.145	50	10	BBGE	
CC(C)[C@H]1C(=O)C/C(=N\NC(N)=O)C1=O	308678830	UNPXUFHFZFGCIH-AUEGDVLESA-N	211.221	-0.175	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c(C(F)(F)F)n1	309330769	VVKPXMDSZJUZRH-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
Cc1nccn(Cc2ccc(B(O)O)cc2)c1=O	310843705	MZLPOCKNTGMKPF-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC[C@@H](C)[C@H](CNC(=O)C(=O)NN)OC	381200698	MKZUYTXQZNNMRX-RQJHMYQMSA-N	217.269	-0.846	50	10	BBGE	
C[C@@H](On1nnc2ccccc21)C(=O)NN	390522179	GWQQLPBIJQGWBW-ZCFIWIBFSA-N	221.220	-0.762	50	10	BBGE	
C[C@H](CN=c1[nH]c(CCl)nc(=N)[nH]1)N(C)C	393767798	DXRHVGAQNSXIIC-ZCFIWIBFSA-N	244.730	-0.193	50	10	BBGE	
CC(C)(CCN1CCC(O)CC1)C(=O)NN	396006355	CBPSSKRQNZBDBJ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(OC)c1	396036220	ZCHHHAHYZSSBMU-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCCC1(F)F	397998704	MAXUMIHHYJJTOS-RXMQYKEDSA-N	221.207	-0.330	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)NN)N(C(=O)C2CC2)C1	399865299	WBWUAINSWAXZFP-HTQZYQBOSA-N	227.264	-0.998	50	10	BBGE	
O=C1NCNN2CC[C@H](Br)[C@@H]12	575627322	YPZPEPBPWQLZLW-WHFBIAKZSA-N	220.070	-0.584	50	10	BBGE	
NNC(=O)CCCCCN1CCCOCC1=O	688114776	IMQHZBVUMDCLMJ-UHFFFAOYSA-N	243.307	-0.214	50	10	BBGE	
N#CC1(O)CCN(c2ncc[nH]c2=O)CC1	692132666	AGJIHBCPMAWQJD-UHFFFAOYSA-N	220.232	-0.375	50	10	BBGE	
N#CC1(O)CCN(c2cc(N)ncn2)CC1	692135109	MBSZTTINOAOTDY-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
COC1CN([C@H](CC(C)C)C(=O)NN)C1	695078575	NREBVFWNNCBBIY-SECBINFHSA-N	215.297	-0.278	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@@H]2C1	706311596	OVAQQLVEWSBNGM-GMTAPVOTSA-N	240.351	-0.506	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@H]1CO	708084079	YZTWGQKYPBUEDK-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1	710338415	UGPWVFJSGNXBNE-NTSWFWBYSA-N	241.213	-0.921	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](CF)C1	711435378	PDIYPZCUNPOVTO-RKDXNWHRSA-N	233.287	-0.327	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CNC[C@@H](O)C1	722410937	XUOKYRMWUKARTQ-FXQIFTODSA-N	220.700	-0.300	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(O)(C#N)CC1	821981150	RYBZGMDVDRXFOK-MRVPVSSYSA-N	226.280	-0.895	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCNC1=O	862500659	UXGVJLZLPDHCOT-QMMMGPOBSA-N	234.259	-0.609	50	10	BBGE	
C#CC[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1	886362926	SJSKSHSTJYSSOD-SNVBAGLBSA-N	249.314	-0.111	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H](O)/C=C\C	899939547	SRVSJHADDSUGDO-YSCPKTQFSA-N	229.305	-0.395	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1C[C@H]1OC	935908281	IYWKLUGQGPRVKJ-PHDIDXHHSA-N	202.210	-0.249	50	10	BBGE	
O=C(CO)NNC(=O)CC1(C(F)(F)F)CC1	1117403013	KVDKAQZZADNYOF-UHFFFAOYSA-N	240.181	-0.141	50	10	BBGE	
NNC(=O)c1cc(C2CCNCC2)no1	1261642414	IGVDTPHZWVYOMP-UHFFFAOYSA-N	210.237	-0.255	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNC(=O)C(C)(C)C	1441529648	APUHNEYDBPKJFI-SREVYHEPSA-N	241.291	-0.176	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1542404865	YQWFTMLUFUPGOL-RNFRBKRXSA-N	210.237	-0.114	50	10	BBGE	
O=C(O)[C@@H](O)CNC[C@@H]1C[C@@H]1Br	1877423134	NTKZJYUIGMEIKV-ZLUOBGJFSA-N	238.081	-0.195	50	10	BBGE	
Cn1[nH]cnc1=NCCSSCCN	1885647503	XKLRFZMNDCRIIM-UHFFFAOYSA-N	233.366	-0.011	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)C(=O)F	1887188179	MNZLDQHSYQITIY-PHDIDXHHSA-N	225.241	-0.180	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCCO	1888599041	QERSISPCZPVOPO-UHFFFAOYSA-N	224.282	-0.928	50	10	BBGE	
NNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](F)C2	1889127369	TVAOWWNKOATFPO-WHUPJOBBSA-N	201.245	-0.059	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSCCC1=O	1896903155	WFKSEYWAPHSNOS-JGVFFNPUSA-N	243.332	-0.422	50	10	BBGE	
CN(NC(=O)c1ncncc1F)S(C)(=O)=O	1901345450	DXRWAYNIBHPAJL-UHFFFAOYSA-N	248.239	-0.848	50	10	BBGE	
CCOCCN(C)Cc1nc(B(O)O)cs1	1902636959	FQTHXUXVJYSJPL-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CC[C@](C)(CN1CCSCC1=O)C(=O)NN	1902733514	URIGUOGNIXEUNH-SNVBAGLBSA-N	245.348	-0.032	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]1(Cl)CC12CCC2	1904712272	TVSPQBGQDQQDFO-SNVBAGLBSA-N	241.483	-0.330	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1906866132	BMCZEDOUGUUNIO-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911276739	LXMXWHPXANQDOQ-RNJXMRFFSA-N	249.261	-0.828	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1C[C@H]2C[C@@H]2C1	1913664799	XCTIDKYRLHYWQC-HTQZYQBOSA-N	247.063	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)[C@H]1C	1914261603	HJRUGZBXOZARFB-JQCXWYLXSA-N	215.297	-0.544	50	10	BBGE	
COCC1CN(Cc2cc(B(O)O)ccc2C)C1	1916277031	WZLWCMAKKOISLT-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CC(=O)O)CC1	1917074097	MRJFFAIDJJMWNJ-UHFFFAOYSA-N	230.245	-0.444	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(F)C2)O1	1917252123	SATAGCXQMPLGLF-YUMQZZPRSA-N	217.244	-0.822	50	10	BBGE	
CC1(C)C[C@H]1CCn1cc(B(O)O)cn1	1921431478	DGXMEVOOIWGBKE-MRVPVSSYSA-N	208.070	-0.001	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]1(C2CC2)CCCO1	1922743224	IPKDHVISMLQMDB-SNVBAGLBSA-N	227.264	-0.948	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cc[n+]([O-])cc1	1923789173	MWIAMBTUIBDIQJ-UHFFFAOYSA-N	249.148	-0.357	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)[C@H](N(C)C)C1	1928376635	HWISEICOCBCDGZ-HLTSFMKQSA-N	234.727	-0.005	50	10	BBGE	
Cc1cc(C)n(CC(=O)NNCCO)n1	1929836279	GZQACNFMWUNPCX-UHFFFAOYSA-N	212.253	-0.887	50	10	BBGE	
C[C@H]1COCCN1CC1(C(=O)NN)CC1	1931260466	NNWYYAJLAQPYRG-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1934788139	STMVRIMZIKAZIL-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
COCC1(N(C)C[C@H]2C[C@@H]2C(=O)NN)CC1	1936095206	VAXBCOOLENATCX-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCN1C	1941089599	WLGGSQHADJWPRC-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@@H](O2)C1=O	1941095194	UHURDFCRYCRDCH-RBXMUDONSA-N	239.275	-0.998	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2COCC[C@H]21	1941781097	XHMRSBQWRPIRFK-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1CCOCC(=O)NN	1941784319	NHKJRFQAJILZHP-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@]1(OC[C@H]2CC[C@H](C(=O)NN)O2)CCOC1	1942466223	TUAYNRBKBAPAEA-KKZNHRDASA-N	244.291	-0.281	50	10	BBGE	
COc1cc(C(=O)NCB(O)O)cc(C)n1	1951321861	KFDTVVBTTJSJKG-UHFFFAOYSA-N	224.025	-0.860	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@@H](N)[C@H](O)C#N	1952822450	ZCPVASJDVQSJMT-XLPZGREQSA-N	217.294	-0.934	50	10	BBGE	
CNC(=O)CC1CN(C[C@@H](O)CCl)C1	1956252508	QJJVERONDBKMFB-QMMMGPOBSA-N	220.700	-0.346	50	10	BBGE	
CCC1(N(C)[C@@H](COC)C(=O)NN)CC1	1961124417	FLUASUGFGRPZCO-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961922297	SLHDSYSKXRAEMB-KGDYZURWSA-N	230.695	-0.067	50	10	BBGE	
NNC(=O)C(=O)NC1CC2(C1)CC(F)(F)C2	1976163041	QYIXKBPKGLKOOM-UHFFFAOYSA-N	233.218	-0.330	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1979917905	BCRRQDAANNRYTL-GFMAATOTSA-N	227.308	-0.542	50	10	BBGE	
CCN(C[C@H]1CCOC1)C[C@@H](C)C(=O)NN	1980748346	RKHXMACRWIEOQT-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](O)[C@H]1CCCCN1CCC(=O)NN	1980853996	GPQCRXSGMKXGCW-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568274	SAPODRBSNICGOC-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](F)(COC)C1	1984643817	DANUBRHXNBVOMO-SCZZXKLOSA-N	233.287	-0.185	50	10	BBGE	
CN(CCCO)C[C@H]1CC[C@H](C(=O)NN)C1	1985357918	UMZUAQCAAPAYKX-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)C(F)(F)C(F)(F)F	1985704009	ZLMGQVPNUZSNRD-REOHCLBHSA-N	249.139	-0.321	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1C1(O)CC1	1987339724	CCGQHQILHQSEBP-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
COC1CC(CC(=O)NCC=CB(O)O)C1	1991327074	MYHQKBUITMWNPZ-UHFFFAOYSA-N	227.069	-0.514	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991329836	JTNPBYLKYLJTRL-VDAHYXPESA-N	245.109	-0.585	50	10	BBGE	
NC[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCCO1	1991703231	DWXMMKRYKBVDFB-SGJFDWMWSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2NC(=O)O[C@@H]2C1	1991717382	XAEMHEKGUXDTKE-IYTQHBPKSA-N	244.634	-0.373	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1CCOC[C@@H]1F	1991732197	QLCXXCZKDIDAQQ-WDSKDSINSA-N	242.197	-0.245	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992153235	MHIVPMAFGAKNPQ-KATARQTJSA-N	221.065	-0.590	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)[C@@H]2COC[C@@H]12	1996485438	SBPXUGPHZQNRSX-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
CCCc1noc(CN(C)CCC(=O)NN)n1	1997741128	XKQRVTCXLXPDHC-UHFFFAOYSA-N	241.295	-0.166	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@@H](C(=O)NN)C(C)C)C1	2002123044	SEWCTPJYKGCCJF-LPEHRKFASA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@H]32)o1	2004486432	LECUNERPFHBTIH-SCZZXKLOSA-N	237.259	-0.144	50	10	BBGE	
C[C@@]12CC[C@@H](CN1c1ncncc1B(O)O)C2	2004916951	RWICWWOEHAEFBS-KCJUWKMLSA-N	233.080	-0.465	50	10	BBGE	
C[C@H](C1CCC1)N(C)c1ncncc1B(O)O	2004917682	XUDPCNLZXZUXEM-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
COCCN(c1ncccc1B(O)O)C(C)C	2004934283	DCJKYNWGEZYWDT-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
COc1ccnc(Cn2ccc(B(O)O)n2)c1	2005292678	IAPBRFRFGQGGLI-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
Cc1ccnc(OC[C@H](C)N(C)C)c1B(O)O	2007000887	LKNOKCRIKCRFMU-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N2CCCC2=O)C1	2011136712	IWDZFJFSXUGKLJ-SECBINFHSA-N	240.307	-0.939	50	10	BBGE	
Cc1nccn1CCOCC1(C(=O)NN)CC1	2012464907	CRNPSMYGERMBSL-UHFFFAOYSA-N	238.291	-0.022	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H]2C1	2012897246	ALRKAIFYTLPELJ-FXPVBKGRSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@]2(CCCOC2)C1	2012897364	AYFLDKCRYSXLEU-GZMMTYOYSA-N	241.291	-0.558	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cc(F)ccc1B(O)O	2014605641	RXAYUDDIQQCTMQ-GMSGAONNSA-N	240.039	-0.081	50	10	BBGE	
CN1CCC[C@H](Oc2ncccc2B(O)O)C1	2021067049	CAWHXIQVTBXPHA-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CC[C@H](O)C[C@H]2C1	2024502454	IEWYBWWMFPXISB-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CC1)c1ncc(B(O)O)cn1	2052472626	SGBXHVGRZYHFBG-GXSJLCMTSA-N	247.107	-0.361	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@@H](C)N1C	2052498964	MDAUUAHWQJRYES-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
Cc1nc(N2CC[C@H]3CCC[C@@H]32)ncc1B(O)O	2052553492	IHBGUFVESGTSKL-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
Cc1cc(N2CC3(CCOC3)C2)ncc1B(O)O	2052626795	GDMGSZNGTNQHJM-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
CCOc1cc(C#N)cc(C)c1B(O)O	2060198691	JQOYOGFSNHSJCW-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1C=O	2060272062	UCRMVABLQFEOKP-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(B(O)O)c1C	2060379246	UWVYVECPQJHKLU-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C[C@@H](C(=O)NN)c1ccccc1	2062248785	YRJITVVTOXZIRU-JLLWLGSASA-N	249.314	-0.175	50	10	BBGE	
Cc1[nH]nc(C(=O)N[C@H]2CCC=C2B(O)O)c1C	2076077753	BMBZRVAKSBOSLX-VIFPVBQESA-N	249.079	-0.143	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210691401	FQJOIMNHYKJMRH-BZNPZCIMSA-N	233.287	-0.594	50	10	BBGE	
C=C[C@@H](C)N(C)c1nccc(B(O)O)c1F	2212604552	QEBKXBPVHIOKCO-SSDOTTSWSA-N	224.044	-0.089	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@H](C)O)cc1B(O)O	2212604748	SCUXGFWQKOCOCM-SFYZADRCSA-N	224.069	-0.749	50	10	BBGE	
Cc1cnc(N(C)CC2CC2)cc1B(O)O	2212605035	WQOFTHQAYJSXSA-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@@H](C)C(=O)NN	2212607321	JTHNPEUEWKOZER-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cncc(F)c1=O	2212634694	NFGCRAZBQYJCSO-WDSKDSINSA-N	226.211	-0.992	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)CC1(O)CCC1	2215777143	QVCBTKLWEDMLDB-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)CN1C	2216198999	LFKYVGGWJZGQCA-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1c1ncccc1B(O)O	2217171359	AZKPSMXVPMAZLI-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217173075	OQVOELHXVDZJSN-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
C=C1CC(CN(C)c2ncc(B(O)O)cn2)C1	2217175370	HWDZJVNOMSJGOM-UHFFFAOYSA-N	233.080	-0.441	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)CN1	2217175793	NGLBPKXSGWVENK-RKDXNWHRSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@]3(C)C2)cc1B(O)O	2217180604	IMKQZFUDOMUUMQ-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
CNCC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217183752	KTUYFHYDGZJFDP-SECBINFHSA-N	237.112	-0.520	50	10	BBGE	
CC(C)(C)NCCOc1ccc(B(O)O)cn1	2217191353	CFTZKVUCTXKRKE-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
CC(C)[C@@H]1COCCN1CCOCC(=O)NN	2217193129	SAPUVIDAJONECJ-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
N[C@@H]1CCCN(c2ncccc2B(O)O)CC1	2217198855	HGIYOPMPEXUFSN-SECBINFHSA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@]12CC2(F)F	2217200448	TXMDSZWABFIBAN-APPZFPTMSA-N	240.018	-0.029	50	10	BBGE	
OC[C@@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220063829	ALLXOVIQXZXCAJ-AAEUAGOBSA-N	247.103	-0.819	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3CN[C@H]2C3)cc1B(O)O	2223620239	LSTPUFZMANXELB-INTQDDNPSA-N	248.091	-0.801	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCNC23CCC3)nc1	2223629911	IOKNSMXDFQDJAC-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC[C@H]2C2CC2)c1	2223630007	XOASEEQBHKMNSX-WDEREUQCSA-N	248.091	-0.402	50	10	BBGE	
CN1CCC[C@@H](CNc2ncccc2B(O)O)C1	2223633039	RCCDMPKXKFXHJG-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN3CCC[C@@H]23)c1	2223669281	ICCIKTHLWYFOLA-MNOVXSKESA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CN3CCC2CC3)c1	2223669620	LXUAMWQRMXTJRM-NSHDSACASA-N	247.107	-0.733	50	10	BBGE	
N[C@@H]1C[C@@H](Nc2ncccc2B(O)O)C12CCC2	2223671856	QPXJAWNFFLMFDH-NXEZZACHSA-N	247.107	-0.557	50	10	BBGE	
CCON(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2241475329	VXRFZTLGRYKTBV-KNVOCYPGSA-N	201.031	-0.351	50	10	BBGE	
NC/C=C\CNC(=O)C=CC(=O)Cl	2241538638	ZVXRHTGFDOBJKC-VTHKMWABSA-N	202.641	-0.061	50	10	BBGE	
CCCN(C)C(=O)c1cncc(B(O)O)c1	2243376393	JMHPJGMRFYHTQD-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
Cc1csc(C(=O)N(C)C2CC2)c1B(O)O	2243377820	HMFOACPDLUKIJB-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
C#CCOCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243391279	IQKGDUQZMCHCPD-IUCAKERBSA-N	225.053	-0.995	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243395681	ASBAXUYFNVSCGI-QXFUBDJGSA-N	229.085	-0.483	50	10	BBGE	
CC1(C)C(C)(C)C1(C)NC(=O)C#CB(O)O	2243400974	KKDSZELZDDUTEY-UHFFFAOYSA-N	223.081	-0.057	50	10	BBGE	
CC(C)CONC(=O)c1cc(B(O)O)sn1	2243414578	DFINKOGLQGVICA-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
CN(Cc1cnns1)C(=O)[C@H]1C[C@H]1B(O)O	2243425650	ANVCCHIICRJTMI-NKWVEPMBSA-N	241.081	-0.641	50	10	BBGE	
CCNCCN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243426988	OLWNIYMXLNTKAX-IUCAKERBSA-N	228.101	-0.693	50	10	BBGE	
NCCN(CC1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243427623	YDUIKBGNSMTDQN-IUCAKERBSA-N	226.085	-0.953	50	10	BBGE	
CN(CCC(=O)O)C(=O)C1CC(B(O)O)C1	2243753329	SQXKVVZXPOOYKJ-UHFFFAOYSA-N	229.041	-0.828	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243759065	QIWKGRGJUFCYLM-LURJTMIESA-N	227.025	-0.931	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@H]2C1(C)C	2243839116	ADIJHBAIDZWVMX-DTWKUNHWSA-N	225.292	-0.116	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H](Cl)C2)C1=O	2244014330	CTNCVVUATJBPSC-HSUXUTPPSA-N	246.650	-0.150	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)sn1	2244148302	NFLOZGJHURAALO-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
O=S1(=O)CC[C@@H](N2CCC(B(O)O)CC2)C1	2244179685	DUNYXDQIVFVHAV-SECBINFHSA-N	247.125	-0.888	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1(C)COC1	2246738154	FIUHJZYBDBBELD-UHFFFAOYSA-N	237.064	-0.515	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1ccc(B(O)O)o1	2247739189	YRUKDNHBOWCCND-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1(F)F	2247744318	RAFSEGGNLXMQBK-CLZZGJSISA-N	244.006	-0.922	50	10	BBGE	
O=C(NCCCCCF)c1cc(B(O)O)c[nH]1	2247747125	JETRDTSNHYSBNZ-UHFFFAOYSA-N	242.059	-0.436	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccoc1B(O)O	2247748103	XTMGRIVAWPVHFH-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@H](C)[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2247781740	NPNURVOJSUKWEC-BQBZGAKWSA-N	239.084	-0.746	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787374	OHYQUNJHTGNFSG-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC1(CO)CCCC1)[C@H]1C[C@@H]1B(O)O	2247799454	DFQIHVQFQHBHSX-IUCAKERBSA-N	241.096	-0.482	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247801161	XRFXOEOTUUUKBB-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
COCC1=CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247808224	TZYKRKVLGFVMLM-UWVGGRQHSA-N	239.080	-0.346	50	10	BBGE	
CN(C[C@H]1CCN1C)C(=O)C1CC(B(O)O)C1	2247810019	TVGHFFNQFFCUBC-UDNWOFFPSA-N	240.112	-0.598	50	10	BBGE	
CC(C)(NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247846230	CDOZNPPNLXHRJA-UHFFFAOYSA-N	236.080	-0.387	50	10	BBGE	
Cc1ccccc1CCNC(=O)C#CB(O)O	2247849458	ACUHPYLFRGRLFD-UHFFFAOYSA-N	231.060	-0.331	50	10	BBGE	
CC(C)C1(NC(=O)c2n[nH]cc2B(O)O)CC1	2247852960	DBXOSWAPSCPXPF-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
O=C(NCCc1ccon1)C1(B(O)O)CCC1	2247855127	NTBQNCZVASXGKV-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2sccc2B(O)O)C1	2247868669	WPEINHJADHHPKI-OCAPTIKFSA-N	249.100	-0.431	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247871617	FEEPHKSKUQOUFW-IUCAKERBSA-N	241.096	-0.266	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@H]1C	2247874574	RXRVUIUVSPNMKN-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247892744	GZWFFGOFOSPZBS-WOOKNIGNSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247894422	GSMBHLSDNLNARJ-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
COc1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247898169	AWNYYDGXYGJQEO-RQJHMYQMSA-N	236.036	-0.108	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCNCC2(CC2)C1	2247898844	ICLZRDHGNBQIFP-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1O	2247899644	OZPHMHHTDRAGOU-XSPKLOCKSA-N	241.096	-0.485	50	10	BBGE	
N[C@]12CC[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2247904883	RGFBDRFWNLRXLD-LURLDICESA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1cc(B(O)O)co1	2249427875	ATSISIJWDHKLTJ-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(B(O)O)cc1	2249505594	RSXNNPONDNPSTR-UHFFFAOYSA-N	233.032	-0.997	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccncc1F	2249998131	DORPIOZTRFDIOG-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cncnc1	2254117878	WUUCPLVZCAIZOK-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1ccccn1	2255467927	TVWHAVABCQKRAW-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(F)c(B(O)O)c1	2255506090	PBZCISMNTZTPLC-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
Cc1ncc(NC(=O)c2cc(B(O)O)c[nH]2)cn1	2255679665	IKLIGLCLVAAEIZ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)ccc1O	2256010698	WGGKVTVSCMAXCW-VIFPVBQESA-N	247.059	-0.480	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2258958770	XPGWWBAJOSWJNY-UKKRHICBSA-N	247.103	-0.200	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962534	DICTTYYUIYLCIG-UNQZSWDGSA-N	241.335	-0.296	50	10	BBGE	
CC(C)CN(C[C@@H](C)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298651518	JYLZLKSGPLQKIU-BBBLOLIVSA-N	243.112	-0.285	50	10	BBGE	
CC[C@H](CN)Oc1ccc(B(O)O)cc1C#N	2301344329	VSVBKYAFUOHSSN-SNVBAGLBSA-N	234.064	-0.646	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](F)[C@@H](CO)C1	2302017694	IHTASXLMXOZUTQ-BBBLOLIVSA-N	247.314	-0.203	50	10	BBGE	
CN1CCC[C@H](N2CC[C@](C)(B(O)O)C2)C1=O	2303149808	GBSJYHZKIZMFRR-ONGXEEELSA-N	240.112	-0.454	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2303426092	KREOMHRGLQBMCJ-KKZNHRDASA-N	247.314	-0.203	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(c1ccc(B(O)O)cn1)C2	2312612132	BGKFAJWNTIXXCW-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CCC[C@@H]3C[C@H]23)[nH]c1	2312614467	PNHBACSVGQCMFC-KKZNHRDASA-N	247.107	-0.574	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1c1ccc(B(O)O)cc1C#N	2317160312	BWXIWCAUDGIQOO-KCJUWKMLSA-N	246.075	-0.802	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@@H]1CC[C@H]1N	2317162670	LAENAJGOELMGEV-ZYHUDNBSSA-N	245.091	-0.836	50	10	BBGE	
C#C[C@H]1CCCCN1c1cc(B(O)O)c(F)cn1	2320798563	BGSOKCWKYDANQX-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
NNC(=O)CN1Cc2cc(O)c(O)cc2C1	39098612	KWPOTVQOZZOHGJ-UHFFFAOYSA-N	223.232	-0.597	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1cccnc1	49814178	KCLHFXPPQHUHPY-ZCFIWIBFSA-N	208.221	-0.810	50	10	BBGE	
CN(CCN)CC(=O)NNc1ccccn1	54419026	TZETXSHINMGFOQ-UHFFFAOYSA-N	223.280	-0.585	50	10	BBGE	
CC(C)N(CCCCC(=O)NN)CC(N)=O	82469989	FCCNTNKKTHJYRM-UHFFFAOYSA-N	230.312	-0.658	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1CCNCC1	82470942	BKINGEXPNOCSHY-SNVBAGLBSA-N	228.340	-0.315	50	10	BBGE	
CNC(=O)c1ccn(CCCCC(=O)NN)n1	85196468	SSJXJXGQMFGFJZ-UHFFFAOYSA-N	239.279	-0.597	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(C)(O)CC1	88023290	GASKQWFBWJFWJK-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
COCCONS(=O)(=O)CBr	127577983	MXNIVMGRZKSBCC-UHFFFAOYSA-N	248.098	-0.164	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@@H]1C	222175233	WFIOMLUMKMLJMQ-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	226495033	HFGQQKLOWUOOKS-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
CN1CC[C@H](NC(=O)NC(=O)CCl)C1=O	230276583	HFZRSNYYJDSGDC-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
COC[C@@H](SCCCN)C(=O)NN	232421691	AZWDAMCXCFPTBX-ZCFIWIBFSA-N	207.299	-0.927	50	10	BBGE	
COCCC(C)(C)CNC(=O)C(=O)NN	234649081	UCVNEHCLYLBWHR-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
Cn1[nH]c(=O)c(=O)nc1SC[C@H](Cl)C#N	236092922	OAFLXSSGCXMELJ-SCSAIBSYSA-N	246.679	-0.308	50	10	BBGE	
CCOc1cc(N)c(N)c(C(=O)NN)c1	238268183	HLDSJCHZTRQXOI-UHFFFAOYSA-N	210.237	-0.147	50	10	BBGE	
CNNC(=O)Cc1ccc2c(c1)N(C)C(=O)CO2	259028232	QXYYMPISRKTXFC-UHFFFAOYSA-N	249.270	-0.165	50	10	BBGE	
CC1(C)COC[C@@H]1N1CC(=O)OC(=O)C1	313034853	WGTFITYXEJNBLG-ZETCQYMHSA-N	213.233	-0.203	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CC(=O)NNC(C)=O	385900528	OUOVJLNTFZBJAH-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
CCC(=O)NCCNC(=O)NC(=O)[C@H](C)Cl	393049690	FLAZMFQQSPTATR-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
C[C@H]1COCCN(Cc2cccc(B(O)O)c2)C1	399550896	BTGFCLTWQPDWEA-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
CO[C@]1(CO)CCCN(C(=O)NN)C1	402741814	WUWBXNNEJZSEBB-MRVPVSSYSA-N	203.242	-0.957	50	10	BBGE	
Cc1cnoc1C(=O)Nc1cccc(B(O)O)c1	404966154	IRWQSTXYPXDVIZ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC[S@@](=O)NCc1cccc(B(O)O)c1	405021691	HFWNCEGCHLQSNT-OAHLLOKOSA-N	227.094	-0.860	50	10	BBGE	
C=CC[C@@H](CO)NCc1ccc(B(O)O)cc1	585038684	DAQYALQOQCTWKC-LBPRGKRZSA-N	235.092	-0.607	50	10	BBGE	
CC[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](C)O	585044234	BUGMDSCCDIZOEA-BXKDBHETSA-N	237.108	-0.385	50	10	BBGE	
CC(C)OC(=O)[C@@H](C)[S@](=O)CC(=O)NN	586370501	NUIVXCPGAVEWBU-NPMWZIQKSA-N	236.293	-0.935	50	10	BBGE	
N=C1N[C@H](O)[C@@H]2N[C@H](Cl)CC[C@H]2N1	605657963	ORCXFNAHNQAHRT-JGWLITMVSA-N	204.661	-0.882	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@H](C)CCC(=O)NN	689810872	NFYYDMHFUDUWQX-KOLCDFICSA-N	247.339	-0.526	50	10	BBGE	
CN1CCN(C(=O)c2cnn[nH]2)[C@@H](CCl)C1	699465646	GBEBUUXMLAMYSA-ZETCQYMHSA-N	243.698	-0.200	50	10	BBGE	
CNNC(=O)CS[C@H]1CCS(=O)(=O)C1	704609619	VTELRIAOZIFVSP-LURJTMIESA-N	238.334	-0.843	50	10	BBGE	
CC(F)(F)COc1cncc(B(O)O)c1	704737058	IPROAFMICUCRFA-UHFFFAOYSA-N	216.980	-0.205	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)C[C@H]1CO	705326532	YUOYWTBOXLTLKA-CIUDSAMLSA-N	223.700	-0.881	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCn1cnnc1	707425034	GWHSGOVQDUZNJB-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1	707617319	AMAKGGJKWANMMT-DTWKUNHWSA-N	241.266	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COC[C@@H]2C1	718252406	OMODHXWUJDKHHD-XKNYDFJKSA-N	227.308	-0.421	50	10	BBGE	
COCC(=O)NN=Cc1cnn2cccnc12	755772082	BDSURMCJXMHZMQ-UHFFFAOYSA-N	233.231	-0.174	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1C	862505186	BVZBCEIQVVVOHR-MRVPVSSYSA-N	236.275	-0.220	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)Cc1cccnc1	900572693	HMRKOKOVPOSKMJ-YWNRKNDBSA-N	249.270	-0.292	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)c2cn[nH]c2)cn1	1131523060	MGAVJRKQNXLQTA-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
O=C(CBr)NC[C@H](O)CF	1144200029	JUAFYEDNRHLBOZ-SCSAIBSYSA-N	214.034	-0.172	50	10	BBGE	
Cc1nccnc1C(=O)NNC(=O)c1ncon1	1618116482	NBTYHYJMULVORJ-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
COCCN(C)NC(=O)Cc1[nH]cnc1C	1640520259	WURJQKDMXARWPO-UHFFFAOYSA-N	226.280	-0.130	50	10	BBGE	
NCCNC(=O)[C@@H]1C[C@H]1Br	1877413143	ATFZUINKXOEFFP-RFZPGFLSSA-N	207.071	-0.155	50	10	BBGE	
O=C(CBr)NCC[C@H](O)CO	1880258707	JMELREAZUMXCAB-YFKPBYRVSA-N	226.070	-0.759	50	10	BBGE	
O=[N+]([O-])C1CN(C[C@H](O)CBr)C1	1881204584	KVECUHGHEGZADL-ZCFIWIBFSA-N	239.069	-0.297	50	10	BBGE	
C[C@H](CCl)NC(=O)Cn1cnnn1	1881856260	PJFZBHMYPXEIED-RXMQYKEDSA-N	203.633	-0.583	50	10	BBGE	
C#CCNC(=O)CNC[C@@H]1C[C@H]1Cl	1883552132	LQDAPRPBCORADR-JGVFFNPUSA-N	200.669	-0.047	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@H]1C[C@H]1Cl	1883643293	AADDNWUWZKXAQC-NTSWFWBYSA-N	204.657	-0.936	50	10	BBGE	
CN(NC(=O)C1(CS)CC1)S(C)(=O)=O	1888572601	XFSKSZMEJMGSTK-UHFFFAOYSA-N	238.334	-0.381	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1888621432	HYPNAAOATVTKLY-BIVRFLNRSA-N	211.290	-0.247	50	10	BBGE	
O=C(N[C@H](CO)CCCO)[C@@H]1C[C@@H]1Cl	1893462472	YSLQUVAXLCTJLE-RNJXMRFFSA-N	221.684	-0.137	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN(CCC(=O)NN)C1	1894664808	GMAWKTNLKAPVSK-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
Cc1ncc(F)c(=O)n1[C@H](C)CC(=O)NN	1898696949	NJUUHCCWXNQMSN-RXMQYKEDSA-N	228.227	-0.368	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@H]1C[C@@H]1B(O)O	1900275195	WARWPUIUMIKWAR-BIIVOSGPSA-N	228.101	-0.661	50	10	BBGE	
C[C@@H](CN)CC(=O)NN(C)S(=O)(=O)C1CC1	1901341955	DAVBQMFPNYYPCX-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H](N)C1)S(=O)(=O)C1CC1	1901359035	HLTGGXRVEFBQTP-LJGSYFOKSA-N	247.320	-0.821	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902510989	FQPMNQHNQDENHA-HTQZYQBOSA-N	246.097	-0.833	50	10	BBGE	
CC(C)=CCN=c1cc(B(O)O)c(F)c[nH]1	1903006788	YBBUKYYTICBTJZ-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C[C@@H](C)C(=O)NN	1903307742	PXFDIGROMAAXMV-UTLUCORTSA-N	229.324	-0.296	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1C[C@@H](F)C1	1904999726	OIEDOOZKRZWTNM-OCAPTIKFSA-N	225.028	-0.112	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC12CC2	1909009132	GXVSTGAMEIIJME-VHSXEESVSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914397427	YTQLTXOOSIBZEK-HTQZYQBOSA-N	213.281	-0.646	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC2(COC2)C1	1915569708	VUZCFIBPRIGUBN-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1nc[nH]n1	1923410471	NFHZGXYNBCILOA-UHFFFAOYSA-N	223.114	-0.872	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927914772	XXPRWDKBFOPJMY-NRPADANISA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CO2	1927916099	CDNLUZMDIJHIKK-BZNPZCIMSA-N	211.265	-0.915	50	10	BBGE	
COc1ccc(C(=O)NNCCO)cn1	1929832458	SUOYIDCQSQXESO-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
Cc1nscc1C(=O)NNC(N)=O	1930565644	IXLMATGIHFIJIH-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@@H](F)C2)n1	1930620368	CPCWDUUTLLDPFR-HTQZYQBOSA-N	212.033	-0.299	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCC2COC2)[nH]1	1933417549	NPDDUAFZGDIAEH-UHFFFAOYSA-N	229.671	-0.497	50	10	BBGE	
CN(C)C[C@@H](Cl)Cc1nnn(C)n1	1934422463	WFYBUXVKVABPLC-LURJTMIESA-N	203.677	-0.078	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1934788142	STMVRIMZIKAZIL-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1COC[C@@H]1CCl	1937178496	ANXDJLKYFYKPOS-BQBZGAKWSA-N	245.670	-0.957	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CC1(C(=O)NN)CC1	1938231621	ADMKDABGIMIJPU-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1Cl)[C@H]1COCCO1	1939170755	HALMCTHDZPNKLK-HRDYMLBCSA-N	249.694	-0.228	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CCC1(C)C	1939463863	FUSBJHUXXPIGNM-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C(=O)N(C)C)CC1	1940302134	FMFJYVKGOREZGJ-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
CC(=O)C[C@H]1CCCN1CC(=O)NNC(C)=O	1941988822	LFWUNLZXMQGXGL-SNVBAGLBSA-N	241.291	-0.403	50	10	BBGE	
NNC(=O)c1cccc(CN2CC(CO)C2)n1	1944079338	BYSMAEAZRVUNAP-UHFFFAOYSA-N	236.275	-0.891	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1951322027	QGWAVRBONDFWGU-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
COc1cc([C@H](N)[C@@H](O)C#N)cc(O)c1O	1952937551	XWQHDYPBCDFLOX-CBAPKCEASA-N	224.216	-0.009	50	10	BBGE	
O=S(=O)(C1COC1)N1CC(Cl)C1	1953705743	LTLODPSLECOZSM-UHFFFAOYSA-N	211.670	-0.362	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CCCCl)C[C@@H]12	1956251533	HCVSMVZALAZHKM-RNFRBKRXSA-N	216.668	-0.180	50	10	BBGE	
CN(c1ccncc1B(O)O)C(C)(C)C	1961686362	CPLIQVMTHMHZBN-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2C[C@@H]2C)n1	1961687477	LZNAYSARNCXBLU-IMTBSYHQSA-N	207.038	-0.143	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]2C2CC2)n1	1961717763	FWRFULNYYLJWMV-ZETCQYMHSA-N	224.094	-0.188	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1962372531	GGOPBPJTKJKUGF-GWUDXMQCSA-N	233.695	-0.044	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H]1CC(=O)N(C)C1=O	1962389191	CEMJBNWFHRGYOI-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
CN1CC[C@@H](CNS(=O)(=O)CCl)C1=O	1965784400	ZVIMCAJMESAYRI-LURJTMIESA-N	240.712	-0.420	50	10	BBGE	
CN1CC[C@H]2CCN(CCC(=O)NN)C[C@H]21	1976006741	SPQDDQPBQIRFDO-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ncon1	1976756875	ZGEAVXBKUOVOJH-RQJHMYQMSA-N	227.268	-0.484	50	10	BBGE	
CC[C@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	1976979702	OSFRWNPOJXATAU-WDSKDSINSA-N	232.045	-0.990	50	10	BBGE	
C[C@]12CN(CCCC(=O)NN)C[C@]1(CO)C2	1978981376	XHZKAJMVKHVBAP-QWRGUYRKSA-N	227.308	-0.539	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]2C[C@H]21	1979020810	XTVMIQAYQWTBKQ-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)COCCN1C[C@@H](F)C[C@@H](F)C1	1985766569	FEKFOBPVIVUHAS-OCAPTIKFSA-N	237.250	-0.625	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1	1986840845	NASWMPLSPLMEKX-BIIVOSGPSA-N	246.694	-0.270	50	10	BBGE	
CN1C(=O)CO[C@@H]2CCN(C(=O)CCl)C[C@H]21	1986843699	BKOWBQXRZLJQBY-HTQZYQBOSA-N	246.694	-0.317	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NNC(N)=O)C12CCC2	1988761489	NOPZWSLFYHAYMF-BQBZGAKWSA-N	227.264	-0.109	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC[C@H]1C	1990771785	BUZTXUQWZNCXJI-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
NCC12CC(NC(=O)C=CC(=O)Cl)(CO1)C2	1991661449	AVNGLLLIKHCRGA-UHFFFAOYSA-N	244.678	-0.316	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1CCCCO1	2004950558	HHVWOTUUGQQUHA-VIFPVBQESA-N	237.064	-0.291	50	10	BBGE	
CCc1cnn(-c2ncnc(C)c2B(O)O)c1	2005008928	GDQQBEOXEUXBOG-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H](C)C2CC2)n1	2005014242	IVEAQNRKMGGKAG-SSDOTTSWSA-N	235.096	-0.300	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cncnc1C	2009048725	CSVNQIXHTQSUCV-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2C[C@H](C)C[C@@H]2C1	2010601567	WNQLBJSHWWRNAY-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
CN(CCC(=O)NN)CC1(F)COCCOC1	2014015542	ASBQGJSDEHLFQU-UHFFFAOYSA-N	249.286	-0.947	50	10	BBGE	
CCOC[C@H](C)Oc1ncc(F)cc1B(O)O	2014930216	UKEGUFIHYDXYSW-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2020067935	MKPULBYDQPCCMX-KAMPLNKDSA-N	235.092	-0.037	50	10	BBGE	
CO[C@H](C)CN(C)Cc1cscc1B(O)O	2211140904	QKGHCTJAPDUBJE-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@]1(O)CCNC1	2212239129	JYFWHAUKCKXHRB-JTQLQIEISA-N	246.694	-0.461	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1ccc(B(O)O)cn1	2212603769	RFMOMSWKVCJKPX-HTQZYQBOSA-N	224.069	-0.403	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC2CC1C2	2216288353	BAQRXCSCKZDUCD-HACHORDNSA-N	234.064	-0.419	50	10	BBGE	
CN(Cc1cnsc1)c1cc(B(O)O)ccn1	2217173458	REOOXRNBQYSJRR-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
C[C@@H](CCN(C)C)Nc1cc(B(O)O)ccn1	2217176106	RIWXQQAETKBAQF-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
C[C@H](CCO)CCNc1ncccc1B(O)O	2217177753	MUXVAPHWGBBJDZ-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
CC[C@@H](O)CN(CC)c1ncccc1B(O)O	2217178442	WDHDGFVOAUPZEN-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
CC(C)C1(Oc2ccc(B(O)O)cn2)CNC1	2217188546	PUNWJVOWEFYITL-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CC(C)[C@@H](N)CCNc1cc(B(O)O)ccn1	2217197974	UINOMIRRFHNFOP-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1c1cc(B(O)O)ccn1	2217199009	JCVJFWUXMQXUPP-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217199558	NFZZXHJUZAMTME-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
C[C@H]1CNC[C@H]1CNc1ncccc1B(O)O	2217201535	YNMQLEWLHUEQSH-IUCAKERBSA-N	235.096	-0.971	50	10	BBGE	
OB(O)c1ccc(=NCC2C[C@@H]3C[C@H]3C2)[nH]c1	2217202544	KUWNDBBAMMBPOS-NXEZZACHSA-N	232.092	-0.359	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN3CCC[C@@H]23)nc1	2223637781	HBKAGLWWAAGUPB-MNOVXSKESA-N	247.107	-0.590	50	10	BBGE	
Cc1cnc(N[C@H]2CCN[C@H](C)C2)cc1B(O)O	2223643572	XJXSQEJIORGUCZ-ZJUUUORDSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccnc(NCC23CC(CCO2)C3)c1	2223644045	DEEQTQFONVPNEX-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@]21COc1ncccc1B(O)O	2223651063	UQTMOHGEYDYBNU-XRNSZHNASA-N	248.091	-0.732	50	10	BBGE	
Cc1nc([C@H](C)Nc2cc(B(O)O)ccn2)n[nH]1	2223669905	PZWCLTCOEOCPNM-LURJTMIESA-N	247.067	-0.639	50	10	BBGE	
CO[C@@H](C)CN1CCC(B(O)O)CC1	2241736135	AXLKHYMSHIBGKN-QMMMGPOBSA-N	201.075	-0.040	50	10	BBGE	
CCNCCSC[C@H]1C[C@H]1C(=O)NN	2242282890	PKJWNVYIGWLSPR-HTQZYQBOSA-N	217.338	-0.045	50	10	BBGE	
CC[C@@H]1CC(=O)N(C(=O)C#CB(O)O)[C@@H]1C	2243357571	YOLQONOSQNTANP-HTQZYQBOSA-N	223.037	-0.825	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CC2)CN1	2243364436	XCUDURNRLURGOE-ZETCQYMHSA-N	226.085	-0.750	50	10	BBGE	
CCCC[C@@H](CN)NC(=O)C1(B(O)O)CC1	2243364923	FHXIKWCYFLXJBN-QMMMGPOBSA-N	228.101	-0.373	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N(C)CCF	2243385538	KKQQXLZTVVFIPW-UHFFFAOYSA-N	246.072	-0.827	50	10	BBGE	
O=C(NC1(CO)CCC1)C1CC(B(O)O)C1	2243391245	IEDMGCQIWVDNGQ-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)[C@H]1C[C@@H]1B(O)O	2243395738	BIMWOZJVNBKXKP-VGMNWLOBSA-N	228.101	-0.661	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1CO2	2243397082	VHROLARMNZCFHP-ABIFROTESA-N	225.053	-0.761	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCSCC1	2243399041	JKWKILQKEHGLLB-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
CC(C)[C@H](CO)NC(=O)C1CC(B(O)O)C1	2243404462	OQHDDBDRRSPKAG-HACHORDNSA-N	229.085	-0.628	50	10	BBGE	
C#CCNC(=O)c1cccc(C)c1B(O)O	2243409124	BKICLPIDLMILMJ-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC=CCC1	2243415446	VEWXZFOONALBMM-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C=CC[C@H](CC)NS(=O)(=O)CC(=C)B(O)O	2243419782	GMCMBCOHJDWNBL-VIFPVBQESA-N	247.125	-0.171	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)cc1F	2243664665	NMRHHUFPZSSGGW-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
CC(C)(F)C(=O)NCc1sccc1B(O)O	2243685456	VDRJXQAAULTJKN-UHFFFAOYSA-N	245.084	-0.208	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cccc(F)c1=O	2243940226	XVCUQDJBDPVUAF-BQBZGAKWSA-N	225.223	-0.387	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H](C)CF)n1	2244149482	KCCZDQKOGXKXOU-ZCFIWIBFSA-N	227.048	-0.741	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)co1	2244210510	FUHXIGXNQGZWTA-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
C#CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2244948487	GWQJMSMQOPJYAV-KYZUINATSA-N	221.065	-0.089	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ccnnc1	2245393991	PITPSSGJDPJSTA-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cc(B(O)O)co1	2245952160	ILLCCMCTEVSWRZ-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
CO[C@H](C)CCOc1cc(B(O)O)cnc1C	2246743835	PCIGIJAZMHDVDP-MRVPVSSYSA-N	239.080	-0.126	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1coc(B(O)O)c1	2247734110	RPIZRCNHZLCBOO-VIFPVBQESA-N	235.048	-0.250	50	10	BBGE	
CC1(C)C[C@H](O)C[C@H](NC(=O)C#CB(O)O)C1	2247741337	YBZIOMLMHIUXTP-DTWKUNHWSA-N	239.080	-0.942	50	10	BBGE	
CCCCCCNC(=O)c1n[nH]cc1B(O)O	2247781225	IKVOVQAZSSHGTP-UHFFFAOYSA-N	239.084	-0.600	50	10	BBGE	
CCC[C@@H](C)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247784241	RMSVUCXNRAOKKS-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790328	GTVBGIHPLANSJC-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
CC(C)[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2247796523	AMOWHTPGEYFOQF-KAVNDROISA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804127	FIORRPJHHAVOAA-XKNYDFJKSA-N	240.112	-0.565	50	10	BBGE	
CCC1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247809887	SCYKJZHGEFCQOB-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
NCC[C@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2247847733	AZDJZBVATYNGLR-NXEZZACHSA-N	238.096	-0.974	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H](CC#N)C(F)(F)F	2247850244	LXKJCBZPLCLTTE-ZCFIWIBFSA-N	247.969	-0.695	50	10	BBGE	
Cc1ncn(C)c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247860256	UIUBVCGTCPKOAH-YUMQZZPRSA-N	237.068	-0.792	50	10	BBGE	
CCC(O)(CC)CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247896037	DFTCJTBZXACKJB-BDAKNGLRSA-N	243.112	-0.141	50	10	BBGE	
C#CCCN(CCOC)C(=O)[C@H]1C[C@@H]1B(O)O	2247900634	YMUQPQZSZSGDSC-UWVGGRQHSA-N	239.080	-0.652	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)C1CC(B(O)O)C1	2247906359	YCDCAKSPPKWBHK-HZUXAKDWSA-N	239.080	-0.467	50	10	BBGE	
C=C=CCC(=O)Nc1ncc(B(O)O)c(C)n1	2248415701	FJVUTCSDVWOIRW-UHFFFAOYSA-N	233.036	-0.865	50	10	BBGE	
CC(F)(F)C(=O)NCc1cccc(B(O)O)c1	2248415727	FXEGEJHBQDSVHN-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
C[C@@H](CCCNC(=O)C1(B(O)O)CC1)C(=O)O	2248584700	ALKYJSDCLNGXET-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2249423583	KJMWSOCNEJBUDN-XCBNKYQSSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCC[C@@H]1O	2249861620	LRZRGKMOYGMHGP-WPRPVWTQSA-N	241.096	-0.339	50	10	BBGE	
O=C(C#CB(O)O)NC1(C(F)(F)F)CC=CC1	2250474736	IMFVCUQQBVAJIH-UHFFFAOYSA-N	246.981	-0.231	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1coc(B(O)O)c1	2255443673	CKGHVXSBQXSUCJ-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255461108	CJBTXYZYGRJICP-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255519978	DRIKKGYMPWGLRW-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
Cc1ncnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1C	2255569187	UJWBRFMGJPKUND-BDAKNGLRSA-N	249.079	-0.427	50	10	BBGE	
O=C(C#CB(O)O)NCc1nc2ccccc2[nH]1	2255670104	VSWWJHCULDOPED-UHFFFAOYSA-N	243.031	-0.806	50	10	BBGE	
CC(C)C1(C#N)CCN(C(=O)C#CB(O)O)CC1	2255672226	CRRDHVXMWWTZSA-UHFFFAOYSA-N	248.091	-0.210	50	10	BBGE	
O=C(NCc1ccncc1)c1ccoc1B(O)O	2255722604	QXDXQTYWLKJMDY-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2255728237	BVAVXMWYIXRKBV-DOWZNPNQSA-N	249.075	-0.266	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1nc(C)ccc1B(O)O	2255728373	FMXQOOSGMDGVPL-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2C[C@]2(C)C1	2255730846	VJRJTHUJXXWVTM-PRHODGIISA-N	248.091	-0.813	50	10	BBGE	
CCN(C(=O)c1ncncc1B(O)O)C1CCC1	2255736369	LVWCFSUAZACAMF-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)Nc1ccccc1B(O)O	2255913131	ZZLPFIAZKJWSFK-VIFPVBQESA-N	246.075	-0.148	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1ccc(B(O)O)cc1O	2255937791	YYKKEDJFAJOBHY-SSDOTTSWSA-N	248.047	-0.896	50	10	BBGE	
C[C@H](O)CC(=O)N1CCc2ccc(B(O)O)cc21	2256676168	MWLZLOSZXXZFRB-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
N#CC1CCN(C(=O)NCCC#CB(O)O)CC1	2258944580	VDSDNPZTADXVCU-UHFFFAOYSA-N	249.079	-0.663	50	10	BBGE	
O=C(N1[C@H]2CC[C@H](C2)[C@H]1CO)C1(B(O)O)CC1	2298368129	ONTUZOJNPWGDCE-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2298370834	NPFSNRPJQRIVMB-IGORNWKESA-N	239.080	-0.610	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2298544413	OWFVQWHUHHMVMJ-RZIIZKHVSA-N	239.080	-0.921	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@@H](COC)C(=O)NN	2299332790	VBTHPYNDSHCOFJ-UTLUCORTSA-N	243.307	-0.997	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@]2(CO)CC[C@H]1C2	2299770278	RGWBSAMNPGJJJK-MWGHHZFTSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2301346183	OBAFFSARSGGBDJ-MNOVXSKESA-N	232.048	-0.563	50	10	BBGE	
CC(C)=C(CN(C)Cc1cnnn1C)B(O)O	2301953796	TWSGESVJABRPJH-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2302517068	TYMGXMGBRHTUNS-AEJSXWLSSA-N	243.112	-0.285	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2312614725	GQZWZSBAHUJBEV-CKYFFXLPSA-N	248.091	-0.889	50	10	BBGE	
NNC(=O)c1ccc(Cn2cncn2)o1	39281168	QCCRVCMWUPIAOD-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
CC(C)N(CCO)CCCC(=O)NN	82470810	LSRSVWSYEHWSTH-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
NNC(=O)c1nc(CN2CCOC2=O)cs1	82471326	RXLYKTTZJPXLCB-UHFFFAOYSA-N	242.260	-0.301	50	10	BBGE	
C[C@@H]1CC(NC(=O)C(=O)NN)C[C@H](C)C1	82835556	YBZJHNUYVXRNTJ-DHBOJHSNSA-N	213.281	-0.083	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@@H]1CN	89112442	GGPSKQOMOBKWBO-NXEZZACHSA-N	242.323	-0.787	50	10	BBGE	
NCC(=O)OC(=O)[C@H](N)Cc1ccccc1	116464447	DNXKBJVLPRMYJI-SECBINFHSA-N	222.244	-0.415	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1CC[C@@H](C)O1	158716248	DHKOWDBWZVWJDX-RITPCOANSA-N	202.210	-0.059	50	10	BBGE	
CCN1CCN(C[C@@H](O)CCl)C(=O)C1=O	163060515	ZMSRTXMFRGJOSU-ZETCQYMHSA-N	234.683	-0.723	50	10	BBGE	
COC[C@@H](C)N(C)Cc1cccc(B(O)O)c1	199015487	AJRUZZYEEYCHNN-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
Cc1ccc(C(=O)NC2CC2)cc1B(O)O	200317890	XVQPEKNAGZAAEV-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
COCCn1cc(Cl)c(B(O)O)c1	204258834	NAYRXFCSWWEXMY-UHFFFAOYSA-N	203.434	-0.532	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	222184387	MUZCTQWQQGUZBU-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
O=C1C[C@H](NC(=O)NC(=O)CCCl)CN1	229239823	QRDSOYBOEQARBD-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)OC(C)(C)C1	232419808	OKBFJESDVCESRM-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
OC1[C@H](O)CC(Br)C[C@H]1O	238650378	GHHOPJCDDUGPCW-WATOWXBHSA-N	211.055	-0.374	50	10	BBGE	
CN1CC[C@@H](COCC(=O)N(C)N)C1	258955896	FWPMKADJQUTIFO-MRVPVSSYSA-N	201.270	-0.713	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)NCc1ccccc1	276175068	GKKIOMGJJKKTAR-MRVPVSSYSA-N	237.259	-0.102	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(O)C1	300027912	DHQDBSJHQZVQKH-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
Cn1cc(CN[C@@H]2COC[C@H]2Cl)nn1	306503568	WLPVUCGJVSCYCK-HTQZYQBOSA-N	216.672	-0.089	50	10	BBGE	
CC(=O)NNC(=O)C#CBr	307400764	BLQQEKLIGYQOOE-UHFFFAOYSA-N	205.011	-0.491	50	10	BBGE	
C=CCO[C@@H](C)CN1CC(=O)OC(=O)C1	308839049	XVSPNMGSMOPWFB-QMMMGPOBSA-N	213.233	-0.037	50	10	BBGE	
COc1ccc(B(O)O)c(CN2C[C@H]3C[C@@H]3C2)c1	380343122	DTITVELFBAOSSB-NXEZZACHSA-N	247.103	-0.173	50	10	BBGE	
O=C(CCCl)NC(=O)NCCn1cncn1	381929538	QVBAULDQUQLMFS-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
COC(=O)N1CCN([C@H](C)CC(=O)NN)CC1	387220257	SIARSAQVRLDKAE-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
COC1CN(Cc2ncccc2C(=O)NN)C1	393852370	ZMFRORFICOIBPA-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
Nc1cccc2sc(B(O)O)c(CO)c12	396246633	OXPJCSYFBHKYRI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1ccc2scc(CO)c2c1B(O)O	396332330	FUSFTYLZSWCQOB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=Cc1sc2cccc(B(O)O)c2c1CO	396345305	XXNKTDVDKNYXIB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1cc(O)c2c(B(O)O)csc2c1	396375358	CLYTYMDOFLIPFS-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C=Nc1nc2n(n1)CCCS2(=O)=O	527024691	VPFCIUGYFDSGPZ-UHFFFAOYSA-N	214.206	-0.577	50	10	BBGE	
N#Cc1cccc(NC(=O)NCB(O)O)c1	575600309	SLWKKAXGTSHTBB-UHFFFAOYSA-N	219.009	-0.308	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)Cc1cccc(B(O)O)c1	688226418	XGIHYOSAMYHJIU-ZWNOBZJWSA-N	249.119	-0.167	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)NNC(N)=S	689976730	PAKFOQDGAXLCPZ-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
Cc1c(COc2cccc(B(O)O)c2)cnn1C	690806481	PTWGZSHOOGQLGV-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)OCCl	692833144	LTBMWVMPUMIEDB-BYPYZUCNSA-N	220.612	-0.334	50	10	BBGE	
NC(=O)NNC(=O)c1cn2c(n1)CCCC2	697198196	MIBQYWRCZGQZIH-UHFFFAOYSA-N	223.236	-0.468	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](N2CCC2)C1	702239927	ONDXMIBVGRSRNS-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
C[C@H]1CCN1Cc1nc(C(=O)NN)co1	706740133	VQYJEQNGOJBRSJ-LURJTMIESA-N	210.237	-0.128	50	10	BBGE	
COC[C@H](CO[C@H](C(=O)NN)C(C)C)OC	709959567	KJCCOCPOECCUEF-BDAKNGLRSA-N	234.296	-0.321	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](C(N)=O)C1	710092654	GDQSKIJKJZLCLC-RKDXNWHRSA-N	242.323	-0.802	50	10	BBGE	
C[C@H](C(=O)NCB(O)O)[C@H]1CCCCO1	711862620	WRRSALACKNRVEE-JGVFFNPUSA-N	215.058	-0.680	50	10	BBGE	
C[C@H]1C[C@@H](Cn2cc(B(O)O)cn2)C[C@@H](C)O1	725126880	VQJDRQVZUARSKS-MYJAWHEDSA-N	238.096	-0.234	50	10	BBGE	
CC(=O)NNC(=O)c1ncc(C)cc1O	778281742	BJZKVVJDNHQBRJ-UHFFFAOYSA-N	209.205	-0.123	50	10	BBGE	
Cc1nnc(NNC(=O)C(F)F)n1C	856052434	VSFJPDVPOCEQFO-UHFFFAOYSA-N	205.168	-0.168	50	10	BBGE	
Cn1nncc1NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	857272871	JDJOJSHIOWMAHB-ZQARSLAVSA-N	237.263	-0.317	50	10	BBGE	
C#C[C@H](C)NC(=O)NNc1nnc(C)n1C	875718246	AMJVHKWRQQMWTD-LURJTMIESA-N	222.252	-0.229	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](O)C2)cn1	1294476601	ZFTAMZLSUBFENV-INJWIWPUSA-N	246.270	-0.080	50	10	BBGE	
CN(NC(=O)/C=C/c1cn(C)cn1)C(N)=O	1295200496	HOSGIDWLNUVWGL-ONEGZZNKSA-N	223.236	-0.525	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2ccn(C)n2)c1	1306836349	XVRCJWUPFHFAMR-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
CCOC(=O)NNC(=O)c1nnn(C)c1C	1318811053	AMPHYEBAXVNFCW-UHFFFAOYSA-N	227.224	-0.486	50	10	BBGE	
NOCCS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883567087	MOESGRIFLNVFIW-WDSKDSINSA-N	228.701	-0.577	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1CC(O)C1	1883648382	ZHRRZVGCCZNLRP-OWOJBTEDSA-N	203.625	-0.053	50	10	BBGE	
NNC(=O)C(F)(F)CCSC1CNC1	1885135454	RKKLZKJSMBMZEX-UHFFFAOYSA-N	225.264	-0.293	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)C[C@H](O)C1	1886139140	SJMOLUSRAZPWDY-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
C[C@H](O[C@H]1C[C@@H](N(C)C)C1)C(=O)NN	1886161041	ZIZBJPSNULEBQA-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
NNC(=O)C1(CS[C@H]2CC[C@H]2N)CC1	1887471096	DYPBEHVUKJHKQH-RQJHMYQMSA-N	215.322	-0.021	50	10	BBGE	
C[C@@]1(C(=O)NNCCO)CCCOC1	1888251761	UYMHHMABBUJENO-SECBINFHSA-N	202.254	-0.584	50	10	BBGE	
CCCNC(=O)NN(C)S(C)(=O)=O	1888571972	OMJVTJGZGOFABN-UHFFFAOYSA-N	209.271	-0.498	50	10	BBGE	
O=C(Cl)C=CC(=O)NN1CCNCC1	1893411525	YOEVDEGGIOUCAQ-UHFFFAOYSA-N	217.656	-0.756	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H](O)[C@H](O)C1	1893475737	XLFPVGKNIOPWBW-HYNHDVCUSA-N	219.668	-0.432	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC12CNC2	1893497727	KHCSAWZQYULZLZ-OWOJBTEDSA-N	214.652	-0.118	50	10	BBGE	
C=C(CN1CCOC(F)(F)C1)B(O)O	1895097290	NTCGFNQWXCXMTJ-UHFFFAOYSA-N	206.985	-0.520	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)NN)COC1(C)C	1897074057	ZIPKJKXFMMLNFY-RITPCOANSA-N	203.242	-0.648	50	10	BBGE	
C[C@@H](CCCC(=O)NN)Sc1nc(=N)[nH][nH]1	1901752972	PWPBTUWBWRLUTO-YFKPBYRVSA-N	244.324	-0.142	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@](C)(O)CO1	1901772428	XLBMVCLFCBZJTL-WCBMZHEXSA-N	231.296	-0.467	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@@H]1C1CC1	1902507756	GEDJDKDCTJTASC-DTWKUNHWSA-N	225.292	-0.081	50	10	BBGE	
CC[C@@](C)(Cn1cccnc1=O)C(=O)NN	1902727361	CGQUCUNWXADAHG-JTQLQIEISA-N	224.264	-0.351	50	10	BBGE	
CP(C)(=O)COCCOCC(=O)NN	1905190327	WYTWCSHROOKXEV-UHFFFAOYSA-N	224.197	-0.410	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCCO)CCCO	1922186414	RLYFHHPJIBTUHV-ZJUUUORDSA-N	247.339	-0.932	50	10	BBGE	
CC(C)(C)OC(=O)NCCC=NNC(=O)CO	1923418187	LJUZDCHWUVRMFX-UHFFFAOYSA-N	245.279	-0.005	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC=CCO	1927762611	RWQSQQUHOHQBTK-HTQZYQBOSA-N	211.217	-0.549	50	10	BBGE	
C[C@H]1COC[C@@H]1OCC(F)(F)C(=O)NN	1927816895	UBFANKMRJSXJBT-WDSKDSINSA-N	224.207	-0.337	50	10	BBGE	
CON(C)C[C@H]1CC[C@@H](C(=O)NN)O1	1928676696	MNWPQGQRLWCGLD-RQJHMYQMSA-N	203.242	-0.983	50	10	BBGE	
CCON(C)Cc1nc(C(=O)NN)co1	1928678055	MDHYIRHWNZZGCY-UHFFFAOYSA-N	214.225	-0.339	50	10	BBGE	
CS(=O)(=O)C[C@H]1CCCN1C(=O)NN	1931356713	CKUPCOYDIABQAJ-ZCFIWIBFSA-N	221.282	-0.921	50	10	BBGE	
NNC(=O)CN1CC2(CCC2)C[C@H]1CO	1931520330	JWOPKHBSZNMZHQ-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
Cc1nnn(C)c1CNS(=O)(=O)CCl	1932170425	CZRMQHKPSZUAJN-UHFFFAOYSA-N	238.700	-0.261	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](C(N)=O)C1CC1	1932387476	WHJARFFNDYZBLX-XINAWCOVSA-N	204.657	-0.006	50	10	BBGE	
COC(=O)CS(=O)(=O)N1CC[C@@H](Cl)C1	1934091799	LDUUEKQOFLKNKW-ZCFIWIBFSA-N	241.696	-0.198	50	10	BBGE	
CO[C@@]1(C)CCN(CC(F)(F)C(=O)NN)C1	1935930775	JESKXVJXDAKUDU-QMMMGPOBSA-N	237.250	-0.278	50	10	BBGE	
NC(=S)NNC(=O)c1ccc2ncnn2c1	1939436181	YBWWEYJUSGUPNU-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
CC(C)[C@H](OCCO[C@@H]1CCOC1)C(=O)NN	1940247226	YHPCUKFRNJBCQZ-ZJUUUORDSA-N	246.307	-0.177	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2C[C@H]2CCl)n1	1955089349	CGGMBPPSXJTQCK-CRCLSJGQSA-N	215.644	-0.433	50	10	BBGE	
C[C@H](Cl)C(=O)C[C@H]1CNCCS1(=O)=O	1955170556	KJNCSKAIJOQHND-BQBZGAKWSA-N	239.724	-0.041	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@H]2COC[C@@H]21	1955233435	QTHKBSDCBXCOLI-XGEHTFHBSA-N	221.684	-0.722	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1C[C@@H](O)CCl	1956255794	DJZGDXNQVHTUET-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
O=C(c1ncc[nH]c1=O)N1CC(Cl)C1	1956900413	KELXRJZYSGICAL-UHFFFAOYSA-N	213.624	-0.167	50	10	BBGE	
C[C@@H]1C[C@H](OC(F)(F)C(=O)NN)CO1	1956932573	VPRJFFFTDJJHFS-UHNVWZDZSA-N	210.180	-0.237	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)C(=O)NN	1957993875	DLDITMMINBKSJW-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC[C@@H]1O	1958982326	MGVIKJRLVINBIH-OSMVPFSASA-N	211.217	-0.574	50	10	BBGE	
O=C(NCB(O)O)C1[C@H]2CCCCC[C@H]12	1960569595	TVKDASLKXGABBA-YUMQZZPRSA-N	211.070	-0.059	50	10	BBGE	
CN(CCCN1CCOC1=O)C(=O)NN	1961483800	XNCYSZPMDNFKQX-UHFFFAOYSA-N	216.241	-0.656	50	10	BBGE	
C[C@H]1C[C@@H](OCCOCC(=O)NN)CO1	1961629696	SGLAZBYQHHQCOR-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1C	1962492180	ALWMXUHLYBBENR-VGMNWLOBSA-N	215.297	-0.421	50	10	BBGE	
COCCCC(=O)N1CCC(B(O)O)CC1	1964500215	IADJYKXKBZKNEI-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccnn1	1966772897	SVMDVIYOWMUZPK-UHFFFAOYSA-N	205.168	-0.707	50	10	BBGE	
O=C(Cn1cnnn1)NCCOCCCCl	1976707228	RBPUBHSDMWVQLB-UHFFFAOYSA-N	247.686	-0.565	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)[C@@H](C)C1	1977147472	OPDAETIIEXOCIQ-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)[C@H](C)C1	1977147969	XPKPCQZOTQGPHS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	1979249006	FHZORCVNFZUOPZ-HSUXUTPPSA-N	233.218	-0.474	50	10	BBGE	
CC[C@]12C[C@@H]1CN([C@@H](COC)C(=O)NN)C2	1979831130	LXRFGNBLUFLJBD-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2c(ncn2C)C1	1980820991	LRQGKUVWKKHZDX-SSDOTTSWSA-N	223.280	-0.843	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(O)(C(F)F)C1	1981254928	RNPOGHZGGIJYJB-PHDIDXHHSA-N	237.250	-0.687	50	10	BBGE	
COC[C@@H](C)Oc1cc(C)c(B(O)O)cn1	1981422481	PEMOYHDZWYKDSH-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]3C2)c(Cl)c1	1981468707	HCRYHOOYMXSTKG-BQBZGAKWSA-N	238.483	-0.129	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982259887	DZBCSYMAGPWJLK-DOLQZWNJSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ncccc1=O	1984128760	UIBKUUCWWIVREU-UHFFFAOYSA-N	232.190	-0.741	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COCC[C@H]21	1989937457	YIZPHHVKDJDYNX-NKWVEPMBSA-N	235.234	-0.668	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C(=O)C=CC(=O)Cl	1991662255	JLRYEWGMPQBAOO-LURJTMIESA-N	246.650	-0.979	50	10	BBGE	
O=C(O)[C@]1(O)CCN(C[C@@H]2C[C@H]2Cl)C[C@@H]1O	1991847159	UQGIBHIRITYJOK-ODHVRURNSA-N	249.694	-0.504	50	10	BBGE	
O=C1CN([C@@H]2C[C@@]23CCCOC3)CC(=O)O1	1992214662	OFZVTJNUQYHNHO-LDYMZIIASA-N	225.244	-0.059	50	10	BBGE	
Cc1ccnn(CC(C)(C)C(=O)NN)c1=O	1994705173	PNRMJZZAELQECW-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
COC1(CN(C)CCOCC(=O)NN)CCC1	2002546896	LTRZEKUDUWODPU-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@]2(CCOC2)C1	2002822329	KDLOOISLXUPQES-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)N[C@H]2CC[C@@H]21	2002915628	SKYSQLFFGSIZBY-VGMNWLOBSA-N	240.307	-0.892	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1[C@@H](C)CC(=O)NN	2003620067	XZWDOJHGDWIHQP-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CC(C)N(Cc1cnn(C)c1)C(=O)C(=O)NN	2003796746	IWXZENWHNPXCLT-UHFFFAOYSA-N	239.279	-0.853	50	10	BBGE	
CCCN(C[C@@H](C)C(=O)NN)[C@@H]1CCNC1=O	2004315183	XBCAPXTUYMTVHM-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
Cc1nn(-c2ccc(B(O)O)cn2)c(C)c1C	2004989916	CGIKWPNEMRJALN-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
OB(O)c1csc(-n2nnc3ccccc32)n1	2005009584	PFBIVBXLDSIJFZ-UHFFFAOYSA-N	246.060	-0.443	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@@H](C)CC[C@@H]2C)n1	2005014609	NUUOENLPGPPTBZ-YUMQZZPRSA-N	235.096	-0.158	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2005804871	CBTAOLRXIBCYQO-KBIXCLLPSA-N	230.076	-0.394	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2COCC[C@@H]21	2019209781	KRLPYFGEDWRSJQ-ZJUUUORDSA-N	241.291	-0.736	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CN2CCC1CC2	2020068397	QUVGAAMPDNXSOY-SNVBAGLBSA-N	238.096	-0.987	50	10	BBGE	
Cc1ncnc(O[C@H]2CCC[C@@H]2F)c1B(O)O	2020493619	LISFLFOYCLZFMZ-YUMQZZPRSA-N	240.043	-0.266	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1NC(=O)NCC#CB(O)O	2021105005	NOWXUEFEWCCDLZ-ZJUUUORDSA-N	238.096	-0.120	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnc2cccnn12	2052147908	RXRBCMUAKIGSSC-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3CC[C@H](C2)O3)c1B(O)O	2052473591	WOQCQSVMPPAQGN-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
CC(C)Oc1cnn(-c2ccc(B(O)O)cn2)c1	2052604388	WDOBKZUFDWKNES-UHFFFAOYSA-N	247.063	-0.266	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1[C@@H]2CCO[C@H]21	2056374514	HHUBRVYBYZKVMA-WHGOUJPWSA-N	247.059	-0.660	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2070843455	OMCXZFHBFXZWGQ-NIQXHBPISA-N	244.103	-0.148	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cncc(O)c1	2076080616	CRNFGKJTGNLEGO-SNVBAGLBSA-N	248.047	-0.382	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@@H]3COC[C@H]2C3)cn1	2077827392	KFQPVEKJIKWIAD-AOOOYVTPSA-N	248.286	-0.342	50	10	BBGE	
O=C(NOCC1CCC1)c1ccccc1B(O)O	2079010718	SQJOYTUFHCHBBG-UHFFFAOYSA-N	249.075	-0.172	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC=C[C@H]1CF	2082874826	YXLNPUUOWVIJRL-NSHDSACASA-N	249.050	-0.284	50	10	BBGE	
Cc1cnc(OCC2(F)CC2)c(B(O)O)c1	2211057675	GYRXJQPFAPJMIH-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(OC(F)(F)F)C1	2211915077	KJRBOGIXBCQVQK-YFKPBYRVSA-N	241.213	-0.025	50	10	BBGE	
CC[C@@H](CN)Oc1cc(B(O)O)c(C)cn1	2212603613	HMEYDLNBKDBZQT-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
CC[C@@](C)(O)CNc1ccc(B(O)O)cn1	2212612782	OJRHMQOZOMZFAQ-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCN1	2217172853	NENODUWNZMEPJL-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(NC[C@H]2CCOC2)cc1B(O)O	2217181113	YKLIMWXJJKKVFN-SECBINFHSA-N	236.080	-0.482	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)on1	2217184482	UCVHASJXNRTHEO-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)C=CCN1	2217188145	KJTSWZOAUMVDEX-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCOC[C@H]2C3)c1	2217201825	RVVDGTDUVYWYJV-KCJUWKMLSA-N	234.064	-0.648	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNc1cc(B(O)O)ccn1	2217203864	BDRGFOSEYRZTQP-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
Cc1ccnc(CNc2cc(B(O)O)ccn2)n1	2223632781	NZHQATQLSMATEA-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
C#C[C@H]1CCCCN1c1nccc(B(O)O)c1F	2223648650	ODOVNKZSADETSQ-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
Cc1cnc(N[C@H]2CNCC[C@@H]2C)cc1B(O)O	2223652719	KXAUZMPNHHJEIF-KWQFWETISA-N	249.123	-0.520	50	10	BBGE	
Cc1ccncc1COc1ncc(B(O)O)cn1	2223662058	MZSPHUXTCYEVLH-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
O=C(N=c1ccs[nH]1)C1(B(O)O)CC1	2241481105	OQEDXQGIROYPQW-UHFFFAOYSA-N	212.039	-0.490	50	10	BBGE	
CON(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2241496286	QZCKVPCBQASNTK-BQBZGAKWSA-N	201.031	-0.352	50	10	BBGE	
CN(CCCF)C(=O)c1csc(B(O)O)c1	2243349555	NCSKJFXABJDFSL-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(O)cc1	2243356414	HHDMGEJILDAHMS-UHFFFAOYSA-N	219.005	-0.976	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)C1(B(O)O)CC1	2243364703	BBXJWMUJYBOVNM-SECBINFHSA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1sccc1B(O)O	2243376269	HJENPGRZGGMGIS-BDINMYNLSA-N	239.105	-0.188	50	10	BBGE	
C/C=C/CNC(=O)c1cc(C)c(B(O)O)o1	2243378465	UAVJNJRHVSLYEH-ONEGZZNKSA-N	223.037	-0.426	50	10	BBGE	
CCN(C[C@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243382349	NQUBHKCOJFGNNL-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
COC1CC(NC(=O)C2(B(O)O)CCC2)C1	2243410422	BGOCRMSLWWEBIJ-UHFFFAOYSA-N	227.069	-0.323	50	10	BBGE	
CC(C)(CNC(=O)C1(B(O)O)CC1)C(=O)O	2243752159	GFDCITLBHALUNM-UHFFFAOYSA-N	229.041	-0.780	50	10	BBGE	
OB(O)c1csc(OC[C@]23C[C@H](CO2)C3)n1	2245221703	MCBNHWQRZPCDAG-KZCWHLCOSA-N	241.077	-0.619	50	10	BBGE	
NN=c1cc(C(=O)NC[C@H]2C[C@H]2Cl)cn[nH]1	2245275518	FROFPUOHVRTDRQ-IYSWYEEDSA-N	241.682	-0.459	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cc(B(O)O)cnc1C	2246825450	PDJQIFOWDWCLFN-KWQFWETISA-N	237.064	-0.516	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2	2247746527	AIBOOIDQZXWNIA-USNOUSKRSA-N	233.076	-0.495	50	10	BBGE	
Cc1ccc([C@H](C)NC(=O)C#CB(O)O)cn1	2247747128	JHKFLFMIJDLZRU-VIFPVBQESA-N	232.048	-0.417	50	10	BBGE	
Cc1ncn(C)c1CNC(=O)C1(B(O)O)CC1	2247750937	QEBCRAFPUDMGRV-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CCO1	2247751509	YMBONHOKRKGAHS-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1C[C@@H](CCNC(=O)C2(B(O)O)CC2)CO1	2247754345	FUFDMUBHAMGRON-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](O)C(F)(F)C1	2247786086	VLFUAGMATWBJNT-DSYKOEDSSA-N	249.022	-0.922	50	10	BBGE	
CC1(C)CCNC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247791661	OGPGLTDZRZNOEL-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCCc1ccon1)C1CC(B(O)O)C1	2247805731	KUVVBYNPYJXVAB-UHFFFAOYSA-N	238.052	-0.414	50	10	BBGE	
CO[C@@H](CN(C)C(=O)C#CB(O)O)C1CCC1	2247847301	VJMCUNARKRVOCG-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
O=C(c1ccoc1B(O)O)N(C1CC1)C1CC1	2247866287	JPLITLPTGAYCFW-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2247872304	PYUSSDLGDNVPPS-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)N1C	2247896917	LZDLHGJKHKFZOV-ZYUZMQFOSA-N	240.112	-0.600	50	10	BBGE	
C=CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248579939	UGFINTXYHFAJRY-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2248586463	BAQORLKFNHGXBM-YWIQKCBGSA-N	241.052	-0.781	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CNC(=O)C1(B(O)O)CC1	2248715214	JPBWWXPPDHONSB-SCZZXKLOSA-N	241.096	-0.218	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cocc2B(O)O)CC1	2249407746	BRRUHNQOBDALKT-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
O=C(NOCC1CCC1)c1cc(B(O)O)co1	2249417323	DYNWWQMLOQVAAZ-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249431366	URMBVXLWETYWQG-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
CCON(C(=O)c1cc(B(O)O)co1)C(C)C	2249432808	CYLKMMATRURKHQ-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2coc(B(O)O)c2)C1	2255455963	HWVJMHOSKDBRFD-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CCOc1cccc(CNC(=O)C#CB(O)O)c1	2255469618	RQCJXZKVEDOSNH-UHFFFAOYSA-N	247.059	-0.283	50	10	BBGE	
CN(C)Cc1cccc(NC(=O)C#CB(O)O)c1	2255470119	YLWGEFOQUYXONZ-UHFFFAOYSA-N	246.075	-0.298	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1occc1B(O)O	2255472863	FTHYSENLABYSKV-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C	2255500922	OHMYQNLZHBIZIV-GMSGAONNSA-N	249.075	-0.487	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)cn1C1CC1	2255501219	BJGATKLEHUTMHG-NSCUHMNNSA-N	248.091	-0.191	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1cc(B(O)O)c[nH]1	2255668557	BERZAZRFFICNMN-UHFFFAOYSA-N	248.091	-0.386	50	10	BBGE	
N#CCC1(CNC(=O)c2ccoc2B(O)O)CC1	2255677496	ADARYCCFRTWXDQ-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccccc1C(=O)O	2256920890	ULGQODZGDISOJX-UHFFFAOYSA-N	247.015	-0.637	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1cc(B(O)O)co1	2258150963	ILPPCEPNMHRPSC-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165959	INJZRQQDZCGROP-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370693	HGZAGXFAMMQQSO-SGIHWFKDSA-N	240.112	-0.517	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H]1O	2298371711	SMJKCHCUORXHLD-SGIHWFKDSA-N	241.096	-0.389	50	10	BBGE	
CC(C)N1[C@H]2CC[C@@H]1CN([C@H](C)C(=O)NN)C2	2299131636	MQISKGXOIXZLCH-MXWKQRLJSA-N	240.351	-0.078	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H]1O	2301344983	ANIYLQIAZMORLX-QWRGUYRKSA-N	232.048	-0.827	50	10	BBGE	
C[C@@H](CCN)Oc1ccc(C=O)c(B(O)O)c1	2301419162	KJRNCEWQLSDDII-QMMMGPOBSA-N	237.064	-0.705	50	10	BBGE	
Cn1cncc1C(=O)N1CC[C@](C)(B(O)O)C1	2303104944	MUTVGXWOBIOITJ-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H]1[C@H]2CO)C(=O)NN	2303424360	QVFRAPAPGHXRNN-GMOBBJLQSA-N	241.335	-0.295	50	10	BBGE	
CC[C@](C)(Cn1nc(C)n(C)c1=O)C(=O)NN	2303437954	FSWXODCTJIHENO-SNVBAGLBSA-N	241.295	-0.704	50	10	BBGE	
CC[C@H]1C[C@H]1CCOc1ncc(B(O)O)cn1	2303535486	WFHMJFRKMPVKDE-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
OB(O)c1cc(=NCC2CC(F)C2)[nH]cc1F	2303834165	AVXZEOPZAPWJBC-UHFFFAOYSA-N	242.034	-0.518	50	10	BBGE	
CC[C@H](COC)Nc1cc(B(O)O)c(F)cn1	2303835740	BDUUGKFYKCGSSU-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC[C@@H](O)C2)ncc1F	2303836354	LIRYMWUEKZBGBF-NKWVEPMBSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1cc(NC2CCNCC2)ncc1F	2303846941	AFWZNFNYKOUHJN-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]c1	2312881689	CYAGXPMYBWFWEO-UTLUCORTSA-N	247.107	-0.574	50	10	BBGE	
CCC[C@@H](CN)Nc1ccc(B(O)O)cc1C#N	2317167464	HTPNJLQRGOBCIL-NSHDSACASA-N	247.107	-0.223	50	10	BBGE	
NC(=O)c1ccccc1CN1CC[C@@H](B(O)O)C1	2319714609	NBHJOEQGYOWJRL-SNVBAGLBSA-N	248.091	-0.166	50	10	BBGE	
NNC(=O)Cn1nnc(-c2ccsc2)n1	37389238	LZWRNYCLKXCTAN-UHFFFAOYSA-N	224.249	-0.609	50	10	BBGE	
CNC(=O)NNC(=O)c1nc2nccc(C)n2n1	48949948	PDECHBBIBBRCDK-UHFFFAOYSA-N	249.234	-0.993	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)C(C)(C)C1	82485347	ZQVHAFIPKWXZSR-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
NC(=S)NNC(=O)c1cccc(O)c1	83590956	PHDVCROKZJURKH-UHFFFAOYSA-N	211.246	-0.130	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C)[C@@H](C)C(=O)NN	86313545	BVEZLIMJVIVPSM-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CSC	89995206	NKFQEJQGPXQJKT-RNFRBKRXSA-N	232.305	-0.078	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@H](C(=O)NN)C(C)C	110689143	KTCKAHIFVSJHRY-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NN	140532015	MSDMRVZQWDCLCT-ZCFIWIBFSA-N	233.268	-0.748	50	10	BBGE	
CCN[C@H]1COC[C@H]1C(=O)NN(C)C	147313910	FMMMBMHIYSZQBC-SFYZADRCSA-N	201.270	-0.796	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)NN(C)C	149113434	RVLKPXMQCBIYGZ-UHFFFAOYSA-N	201.226	-0.255	50	10	BBGE	
CN(CCS(C)(=O)=O)C[C@@H](O)CCl	158031402	NDVVJIIPZQVGSD-ZETCQYMHSA-N	229.729	-0.438	50	10	BBGE	
C[C@H](Cl)C(=O)NCCNC(=O)CC#N	169908981	AOWWHESBQNBGRV-LURJTMIESA-N	217.656	-0.240	50	10	BBGE	
NNC(=O)c1cccc(-n2ccnn2)c1	181298771	VAKADWVAMPVNQL-UHFFFAOYSA-N	203.205	-0.129	50	10	BBGE	
CCCC[C@@]1(N)CCN([C@@H](C)B(O)O)C1=O	195852007	OGCQNEGJCPFOIS-WCBMZHEXSA-N	228.101	-0.493	50	10	BBGE	
CCN(C)Cc1ccc(B(O)O)cc1F	203190281	DILFWMFIUVQPRA-UHFFFAOYSA-N	211.045	-0.043	50	10	BBGE	
O=C1NC(=O)N2NC[C@@H](Br)[C@@H]2N1	215247660	POLZQRMBLYNOFA-PWNYCUMCSA-N	235.041	-0.671	50	10	BBGE	
C[C@@H](CN1CC[C@@H](N2CCCC2)C1)C(=O)NN	223088236	NLPMCHUDAQNFJA-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CN(C)CCCOc1ccc(F)cc1B(O)O	228684465	WYFLPDGCQHBFLY-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
COC[C@@H](CCl)NCCS(C)(=O)=O	228864253	DKUYXHWVIJMHMD-SSDOTTSWSA-N	229.729	-0.126	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)CCS1	232420795	YGLOEXYBLIXYOR-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
COC[C@@H](S[C@H](C)CCN)C(=O)NN	232421712	KMIORMQTOHYMNG-RNFRBKRXSA-N	221.326	-0.538	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](C(N)=O)C1	236220605	GGOMMEZRHJGRKN-VIFPVBQESA-N	242.323	-0.656	50	10	BBGE	
Cc1cn(-c2cccc(B(O)O)c2)cn1	238551497	ZMEWFFGROOYYGK-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
OB(O)c1cnc(O)cc1C(F)(F)F	238635362	QUIPYAFIJMYCGI-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
N#CC1=C(CN2CCNCC2)S(=O)(=O)N=C1	260330067	YQPYVTVMMLPVGP-UHFFFAOYSA-N	240.288	-0.917	50	10	BBGE	
CN(CCCO)CC(=O)NNc1ccccn1	305972825	JYZYZYSKZBUXMG-UHFFFAOYSA-N	238.291	-0.161	50	10	BBGE	
C[C@H]1[C@@]2(CCS1(=O)=O)CC(=O)OC2=O	306834007	QMGSQQDXMDDHGL-YLWLKBPMSA-N	218.230	-0.347	50	10	BBGE	
Nc1ccc2c(O)c(B(O)O)sc2c1	307120406	IMTLUGLNHXRAMN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NNC(=O)CN1C(=O)C[C@H]2CCCC[C@@H]21	308874815	CRRNZNDSYKNGBX-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
Cc1cc(B(O)O)c(O)c([Si](C)(C)C)c1	308968644	NZMNAQGRHPWRHN-UHFFFAOYSA-N	224.141	-0.074	50	10	BBGE	
CC(=O)NNC(=O)Cn1nncc1[C@@H](C)Cl	309317946	OIGAHPHZJQMPHW-RXMQYKEDSA-N	245.670	-0.255	50	10	BBGE	
Cl[C@H]1COC[C@H]1Nc1ccc2nnnn2n1	323157192	HLXMFJOJSXFXGL-NTSWFWBYSA-N	240.654	-0.063	50	10	BBGE	
CNC(=O)C1CN(CCCCCC(=O)NN)C1	381990517	RAOVKYZZVRGQAP-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
O=C1CC[C@H](c2cccc(B(O)O)c2)CN1	394580007	UVWBFTKDZKSSIL-VIFPVBQESA-N	219.049	-0.640	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1COC(C)(C)C1	396546801	NFGQYGUGGOADGX-LURJTMIESA-N	215.253	-0.998	50	10	BBGE	
CC(C)OC(=O)Nc1ncc(B(O)O)s1	405165397	LGSGZPPWQOJMEY-UHFFFAOYSA-N	230.054	-0.220	50	10	BBGE	
CCO[C@H]1CNC[C@@H]1C(=O)NN(C)C	690070145	XRDIMFIEUWQHJZ-YUMQZZPRSA-N	201.270	-0.796	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](NC(N)=O)C1	690797059	VYNMXISJGHBNGA-BQBZGAKWSA-N	216.672	-0.140	50	10	BBGE	
Cn1nnnc1Cn1ncnc1CCl	697775609	WPWZHPUQBQTGHL-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC(F)(F)CO	703411607	KJUJASBONZDQNY-PHDIDXHHSA-N	235.186	-0.470	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2CCOC[C@@H]2Cl)nn1	706687068	MMYKGBFLLWZSTN-NKWVEPMBSA-N	244.682	-0.059	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCNC(=O)CC1(C)C	708101737	RGVZWRLHWNKLJG-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
Cl[C@@H]1CCN(CCn2cnnn2)C1	712552985	SNMZPPHEOSHMQA-SSDOTTSWSA-N	201.661	-0.014	50	10	BBGE	
CC(C)NC(=O)N1Cc2cccc(B(O)O)c2C1	713271663	STMSIOSPGWLKET-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
CC(C)(CCS(=O)(=O)NCB(O)O)C1CC1	717961639	JXVDYPKKIIPABG-UHFFFAOYSA-N	249.141	-0.256	50	10	BBGE	
C#C[C@H](CO)Nc1nc(N)nc(CCCl)n1	718216698	FJHLHOYFOOGIEQ-ZCFIWIBFSA-N	241.682	-0.359	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCS[C@H](CCO)C1	720083683	ASLYZZKPNBFPBP-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
O=C(NN=Cc1ccc(O)cn1)C(=O)NC1CC1	755611622	NUPOCUSHNXZAQP-UHFFFAOYSA-N	248.242	-0.484	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)C1=CCCC1	760582641	QMGGHHXMKVIUQQ-SECBINFHSA-N	240.259	-0.341	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@H]2COCCO2)[C@H]1C	844584690	VOOUQJQHFYQEAX-OYNCUSHFSA-N	242.275	-0.071	50	10	BBGE	
CCO[C@H]1[C@@H](C(=O)NNC(=O)N(C)C)[C@H]1C	906450169	HQCFEAYIOSKQPJ-GJMOJQLCSA-N	229.280	-0.040	50	10	BBGE	
Cc1nocc1C=NNC(=O)[C@@H]1CCC(=O)N1	1118889559	MFINNSYZTSTBMT-QMMMGPOBSA-N	236.231	-0.288	50	10	BBGE	
Cc1cc[nH]c1C(=O)NNC(=O)c1ncon1	1134617064	NJYWXZGQTWJYRJ-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
O=C(CO)NNC(=O)c1cc(C(F)F)ncn1	1648686767	VBAYCBRCKFJXOW-UHFFFAOYSA-N	246.173	-0.833	50	10	BBGE	
N#CC1=C(NC(=O)Cn2cnnn2)CCC1	1850322393	SDVKJVPAFBUTRC-UHFFFAOYSA-N	218.220	-0.249	50	10	BBGE	
CNS(=O)(=O)[C@@H]1CCN(C(=O)F)C1	1882787036	HINYHRYUSVVINJ-RXMQYKEDSA-N	210.230	-0.301	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@@H](O)C1	1882906045	DAFRFVZQZJDNOJ-VQVTYTSYSA-N	207.657	-0.432	50	10	BBGE	
O=C(O)C1(NC[C@@H]2C[C@H]2Br)CNC1	1892914408	JBFMSSOXSMCPHC-NTSWFWBYSA-N	249.108	-0.214	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@@H]2C[C@@H]2Cl)C1	1893119812	QWUFMWZRHLLNGF-XPUUQOCRSA-N	238.740	-0.153	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@H]2C[C@@H]21	1893497042	AWSVUJPAAFAGOZ-DZZRMOGLSA-N	214.652	-0.119	50	10	BBGE	
C=C(Cl)CONC(=O)c1cocc1B(O)O	1899439452	HZWLVQLFCWNKCQ-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CCN1C[C@@H](O)CCl	1899604885	FXALTIROPBUMKK-CIUDSAMLSA-N	223.700	-0.596	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C[C@H](C)C(=O)NN	1900249683	AYQYECKNJBKZMK-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](COC[C@@H]1CCCN(C)C1)C(=O)NN	1901444510	ZWWBUVPHTQYTFK-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(N(C)C)C1	1901762291	LBGFGQXKZDPMQY-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)C(F)F	1903005096	CDRDTKPQCOHADL-BYPYZUCNSA-N	233.986	-0.034	50	10	BBGE	
C#CCCN(C)c1cc(B(O)O)c(F)cn1	1903006563	VJYYKTMLPFKKLZ-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
Cc1nnc(CN(C)C[C@@H]2C[C@H]2C(=O)NN)o1	1907002146	JGYYQHXUTCORRZ-JGVFFNPUSA-N	239.279	-0.564	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N(c2ncc(B(O)O)cn2)C1	1907072328	IUFLWHWKAPDGAG-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2CC[C@@H]21	1907072759	PDZHWZRHIFJHEZ-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1C1(O)CC1	1908844806	LKBYFSFYRJXQMU-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
C[C@@H](C[C@@H](C)C(=O)O)C(=O)NNCCO	1910363831	KIQCUBWDUZGUOC-NKWVEPMBSA-N	218.253	-0.654	50	10	BBGE	
C[C@H](Cn1c2c(ccc1=O)CCC2)C(=O)NN	1912264364	NVXJOCIPCPVAQV-MRVPVSSYSA-N	235.287	-0.037	50	10	BBGE	
CC[C@H](N=[S@](C)(=O)CC)C(=O)NN	1913888682	QYZURCTVYDKNNA-DAZKTRTLSA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(CO)CC1	1915530782	GAUYEMOCTJRCER-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923394104	ZGNHSMUDBBXHIZ-GSVOUGTGSA-N	214.143	-0.533	50	10	BBGE	
O=C(NNCCO)c1noc2c1CCC2	1924565039	GNWVGYKZKLVQCS-UHFFFAOYSA-N	211.221	-0.610	50	10	BBGE	
NC(=O)[C@H]1CC[C@H](NS(=O)(=O)CCl)C1	1928418404	FCLCDJYNBDACND-WDSKDSINSA-N	240.712	-0.244	50	10	BBGE	
FC[C@@H](Cl)CNCCn1cnnn1	1930554835	COWHPMWBOSTEAE-ZCFIWIBFSA-N	207.640	-0.160	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC[C@H](F)C1	1930622907	SJBKGEZNRLTGIY-UHNVWZDZSA-N	205.258	-0.011	50	10	BBGE	
O=C1CC2(CC3(C2)CS(=O)(=O)C3)C(=O)O1	1931804802	ZOZHFRIDWMWGNC-UHFFFAOYSA-N	230.241	-0.345	50	10	BBGE	
C[C@]12C[C@H]1CN(CCOCC(=O)NN)C2	1932250370	WQEHSRAQORHURK-WCBMZHEXSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)NC1CCC(NC(N)=O)CC1	1932443985	DWYFTTHRWWKDLO-UHFFFAOYSA-N	215.257	-0.861	50	10	BBGE	
NNC(=O)c1cncc(Cn2cccn2)c1	1935729465	FCLWATLMQYMIKF-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@@H]1CCN(C(=O)NC(=O)CCl)[C@H]1C(N)=O	1937134634	CRPGEVVAZXLKGZ-IYSWYEEDSA-N	247.682	-0.343	50	10	BBGE	
CN(C(=O)Cn1cnnn1)[C@H]1COC[C@@H]1Cl	1937159797	MMXWJILJKJHFNN-BQBZGAKWSA-N	245.670	-0.862	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COC[C@@H]2CCl)n1	1937181520	KFKFOEYDLNMTJB-XPUUQOCRSA-N	244.682	-0.201	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CCC1(C)C	1939463860	FUSBJHUXXPIGNM-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1CCOCC(=O)NN	1941773324	WLLMNTCRWPLXBE-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@H]1CO	1944079923	JUUUMAVSHUOKBI-JTQLQIEISA-N	235.287	-0.143	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@]12COC[C@@H]1C2	1945882991	RHIHFSGMSRAASS-JOYOIKCWSA-N	239.319	-0.275	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H](CO)C1	1948807612	SCBPDEKDCVDHNI-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
COc1cc([C@@H](N)[C@H](O)C#N)cc(O)c1O	1952937552	XWQHDYPBCDFLOX-VXNVDRBHSA-N	224.216	-0.009	50	10	BBGE	
COc1ncnc(N(C)C)c1[C@H](N)[C@H](O)C#N	1953072518	JOANEQPXUMGVRQ-HTRCEHHLSA-N	237.263	-0.565	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@H](O)[C@H](C)O	1954511743	UTKOYADIVKQHKM-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
O[C@@H](CCl)CN1CCn2ncnc2C1	1956772380	MKQLMODXQRQTQE-ZETCQYMHSA-N	216.672	-0.307	50	10	BBGE	
OCCCN1CCN(C[C@@H](O)CCl)CC1	1961251643	SUBUZSXKAIRWEE-JTQLQIEISA-N	236.743	-0.414	50	10	BBGE	
Cn1ccnc1Sc1nc(B(O)O)cs1	1961722299	GOSZXDIIWDNIPQ-UHFFFAOYSA-N	241.106	-0.292	50	10	BBGE	
C[C@H]1CCN1Cc1nn(C)cc1C(=O)NN	1980592132	GAXFWIKXGICIPG-ZETCQYMHSA-N	223.280	-0.382	50	10	BBGE	
C[C@@H]([C@H](C)S(C)(=O)=O)N1CC(=O)OC(=O)C1	1980849743	FHWQLXWQHYZWGN-BQBZGAKWSA-N	249.288	-0.807	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)NC(=O)[C@@H]2C1	1981051742	JYLUIQLAVBEESB-BQBZGAKWSA-N	242.666	-0.647	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CC(C)C2)n1	1981421515	AVLPFPBDMWNMEF-UHFFFAOYSA-N	222.053	-0.358	50	10	BBGE	
CC[C@H](CO[C@H](COC)C(=O)NN)N(C)C	1983913844	NMSBZWWTKYJUKF-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCS2(=O)=O)C1	1985356690	HRCHCZAYEMVCTA-SFYZADRCSA-N	247.320	-0.962	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CC[C@@](O)(C(N)=O)C1	1985791302	XJMYEGJFMXWTJV-XCBNKYQSSA-N	248.710	-0.300	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC(CO)C2)C1	1987153696	KDRANUKOTPANSL-VIFPVBQESA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2CCSCCC2=O)CC1	1989923000	SJWLWDQHPCSAEC-UHFFFAOYSA-N	243.332	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COCC[C@H]21	1989934094	AUHJNIULCVWBAB-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC(CO)C1	1990046532	HWYYDYOXUDTTLN-LRHRNSLUSA-N	227.308	-0.685	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1[C@@H]2CC[C@@H]12	1991334410	WCDIXLAOABAZEN-ZXFLCMHBSA-N	221.065	-0.141	50	10	BBGE	
Cc1noc(C)c1C(=O)NCC#CB(O)O	1992168251	XNOZBUBQNDYIET-UHFFFAOYSA-N	222.009	-0.963	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(CO)CCCC1	2003923657	WWZOMFCPNGDFEZ-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CN(CC1CCCC1)c1ncncc1B(O)O	2004920524	KTVJYWMAWZKECC-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
COc1nc(N2CCCCC2)ncc1B(O)O	2005014231	IOYPMZPSLBFSQZ-UHFFFAOYSA-N	237.068	-0.845	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C3CCC2CC3)n1	2005014785	QPEATBBGBDPEGM-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
C[C@]12CCCN(C(=O)C(=O)NN)[C@H]1CCOC2	2009419623	KCOJPAPTCOKBDR-GZMMTYOYSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(CCCC(=O)NN)CCN2C1	2010601289	UAUJNZAFMVALSA-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010835749	RUTDRNDJFBWWQO-HBNTYKKESA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H](O)C[C@H]2C1	2012898041	RFPWAEJCXLDLSX-JIGDXULJSA-N	249.261	-0.686	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cc(F)cc(B(O)O)c1	2014606621	ZCFMWZNJOTUCEU-CPCISQLKSA-N	240.039	-0.081	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)CC(=O)NNC(C)=O	2019178529	GLKROZFMBSNCEZ-ZJUUUORDSA-N	243.307	-0.632	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@H]2CCC[C@@H]2C1	2021120119	VZKKRUQWSXZOSX-NXEZZACHSA-N	236.080	-0.557	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C[C@@H]1C[C@@H]1C(=O)NN	2025475131	CIQJEGCWJDAWCP-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cc(C)ncn1	2025896057	SHCUEBDDULGHHH-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](N2CCC2)C1	2052505416	DLVRNCSOZOPTNZ-JTQLQIEISA-N	247.107	-0.954	50	10	BBGE	
CCOc1c(C#N)ccc(B(O)O)c1C	2060198690	JPYYKKMSDGHJAD-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)ccc1F	2079012642	XKAHASHBBYFWRA-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@H]1C[C@H]1Cl	2208662094	UHBKTPFPSJRBLU-LYFYHCNISA-N	207.657	-0.263	50	10	BBGE	
CON(C)Cc1cscc1B(O)O	2209233030	WVNQNTHRHWTEOZ-UHFFFAOYSA-N	201.056	-0.579	50	10	BBGE	
N=c1nnc(=NCC2CC(Cl)C2)[nH][nH]1	2209561513	WKAFHLOUKOSKHB-UHFFFAOYSA-N	214.660	-0.470	50	10	BBGE	
CN(C[C@H](F)[C@@H]1CCOC1)C(=O)NN	2209976058	JUXPUMYTGSZSRR-RQJHMYQMSA-N	205.233	-0.124	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]2CC[C@H]21	2211141888	YUDYVUMAAMJVTK-GMSGAONNSA-N	238.121	-0.193	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)N(C)C[C@H]1C	2212072149	WKAKHWKGRRGNIW-IVZWLZJFSA-N	228.340	-0.221	50	10	BBGE	
CC[C@H](CN)Nc1nccc(B(O)O)c1F	2212604155	MTXQBZZHCQVHGL-ZCFIWIBFSA-N	227.048	-0.950	50	10	BBGE	
CS[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2212614227	BQPKLDVZNYAAKI-VIFPVBQESA-N	238.121	-0.297	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC=C1CCC1	2212716241	ZCLYVNSTYHTZFX-UHFFFAOYSA-N	220.037	-0.967	50	10	BBGE	
COc1cnn(-c2nccc(B(O)O)c2F)c1	2217163475	OIWYRIJCORSJHE-UHFFFAOYSA-N	236.999	-0.905	50	10	BBGE	
NC1CC(CCOc2ncccc2B(O)O)C1	2217165829	BMYQJJXDUHMZRJ-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
NC[C@H]1CCC[C@H]1Oc1ncccc1B(O)O	2217166724	OETUGXVCPUHXGF-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1C[C@@H]2C[C@@H]2C1	2217176948	CIHYKTKYTFWLHH-DOFRTFSJSA-N	232.092	-0.004	50	10	BBGE	
CCC(CC)(CO)Nc1ncccc1B(O)O	2217179113	GNSOASDRYHBNND-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
C#C[C@@H](Nc1ccc(B(O)O)cn1)C1CCC1	2217181324	OKHOOCHXHPNUEQ-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)C[C@@H]1C	2217184315	OJOTYQSEYJKWHV-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
C=CCOCCN=c1cc(B(O)O)c(C)c[nH]1	2217184993	XLLLEHLUXJZOOG-UHFFFAOYSA-N	236.080	-0.894	50	10	BBGE	
CCC[C@H](C)CCN=c1ncc(B(O)O)c[nH]1	2217201452	PPORBORXVPXZBY-VIFPVBQESA-N	237.112	-0.184	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C(C)(C)CCO	2217202508	KHJMFQUCRZLZJI-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)C3(CC3)C2)c1	2223629286	UIRXWMKMEWVGRR-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
C[C@]1(C#N)CCCN(c2ncccc2B(O)O)C1	2223633187	TYZVDKBJRALOKF-GFCCVEGCSA-N	245.091	-0.109	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC12CCNCC2	2223635162	TVIATGKWJDWFOK-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(N2O[C@H]3C=C[C@H]2CC3)cc1B(O)O	2223649205	VOMNPYBBWAHBLS-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
Cc1cnc(NCC2(N)CCCC2)cc1B(O)O	2223653097	OAUJCFSEPBGPJU-UHFFFAOYSA-N	249.123	-0.247	50	10	BBGE	
Cc1nn(C)c(C)c1Oc1ncc(B(O)O)cn1	2223656311	LBEHVPWIBZMMBV-UHFFFAOYSA-N	248.051	-0.701	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@]23CCNC3)c1	2223667823	SFXWMLBVVHRUEK-LBPRGKRZSA-N	247.107	-0.906	50	10	BBGE	
CC[C@@H]1CN(c2cc(B(O)O)ccn2)CC[C@@H]1N	2223679770	UKNZRFTXUZZXGR-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
O=C(N1CC(F)(F)C1)C1(B(O)O)CC1	2241473380	JFLWTXBWZFLLTB-UHFFFAOYSA-N	204.969	-0.529	50	10	BBGE	
CC[C@H](O[C@@H]1C=CCOC1)C(=O)NN	2241729663	VKMVCQRYUBSBBU-SFYZADRCSA-N	200.238	-0.274	50	10	BBGE	
CN(C)c1cc(B(O)O)c(Cl)cn1	2242392589	YQWWMUZQEKWSIV-UHFFFAOYSA-N	200.434	-0.519	50	10	BBGE	
OB(O)c1csnc1CN1O[C@H]2CC[C@H]1C2	2242994395	YIKWFSYDFANZOX-BQBZGAKWSA-N	240.093	-0.509	50	10	BBGE	
CC1(C)CCC[C@@H]1CNC(=O)C#CB(O)O	2243348937	CLXZFKQTXHKRDP-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ncsc1B(O)O	2243358970	MKJUVZCZBGIZLB-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243363886	NWFWLTPCGUQSAE-JGVFFNPUSA-N	229.085	-0.077	50	10	BBGE	
O=C(NC1[C@@H]2COC[C@@H]12)C1(B(O)O)CCC1	2243365008	GKNKXCLMSGHDDR-RNFRBKRXSA-N	225.053	-0.856	50	10	BBGE	
O=C(N1C[C@H]2COCC[C@H]21)C1(B(O)O)CC1	2243365732	REASQWSAZYQACS-JGVFFNPUSA-N	225.053	-0.759	50	10	BBGE	
CN(CCCF)C(=O)c1sncc1B(O)O	2243385055	BRZSIYSSJYOWMZ-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1ccoc1B(O)O	2243407514	UGUNRVQINKPDCV-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(B(O)O)co1	2244212235	NBRAKPIIHPMDNZ-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)C=CCC1	2244551047	ZLWNJHABFFBFLX-NSHDSACASA-N	221.065	-0.136	50	10	BBGE	
CC1CN(C(=O)Nc2cccc(B(O)O)n2)C1	2246747261	CDSONGCNLMNADN-UHFFFAOYSA-N	235.052	-0.755	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ccoc1B(O)O	2247743211	AOJRTYVLYUBBEC-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
CN(C)C1(CNC(=O)C2(B(O)O)CC2)CCC1	2247753077	BCWCNXIAJLYCCW-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
O=C(N1C[C@@H](F)C[C@@H](O)C1)C1(B(O)O)CCC1	2247758224	UNSJMTAAHFIXSN-JGVFFNPUSA-N	245.059	-0.685	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1B(O)O	2247759659	UWUBLSCPQNUQKY-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
CCN(OC)C(=O)c1c(C)cccc1B(O)O	2247761016	PQURBHPZBXLYIN-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1CN	2247786283	YOAAANHXWDGJIZ-KYXWUPHJSA-N	240.112	-0.707	50	10	BBGE	
CN1CC=C(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247791644	ODESSKHHPGFJKS-UWVGGRQHSA-N	238.096	-0.773	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCN(C)C1	2247797122	GIGFHMYTNLRGFZ-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247797233	HKWHURWCCKARBR-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CN1CCCC12CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247806156	MIMSQSOMWLCGCA-BDAKNGLRSA-N	238.096	-0.844	50	10	BBGE	
N#C[C@@]1(C2CC2)CCN(C(=O)C#CB(O)O)C1	2247846557	IQTVEOJBHQWZPF-NSHDSACASA-N	232.048	-0.846	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1ccc(B(O)O)o1	2247851731	JEEWMFYSAYVPBZ-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1ccoc1B(O)O	2247866924	VLGYCGZIEUCUBX-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C=CCN(CCC)C(=O)c1ccoc1B(O)O	2247869670	WNQTWPQHIKJQNT-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCN(CC1CC1)C(=O)c1coc(B(O)O)c1	2247871725	GWUIBLAMKPKBQF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](CCCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894611	IXMDZGYADFLIKJ-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895655	UUONQBQPPCTIRL-SFYZADRCSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@]2(CO)C1	2247896442	GXZACXOFGZDNPS-FTYOSLGDSA-N	239.080	-0.920	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2247897336	QXSGXYCWSZUXKY-NGZCFLSTSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248574113	OSTFZBNIYPUDNW-NGJRWZKOSA-N	241.052	-0.829	50	10	BBGE	
C[C@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)CC(=O)O	2248585098	GMQYQKSBMSZVES-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248585251	IPIARVCQKIKEHR-ZCFIWIBFSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248589745	UIURFAUSPDJIQG-XLPZGREQSA-N	241.052	-0.685	50	10	BBGE	
NNC(=O)c1cn(CCO[C@@H]2C=CCC2)nn1	2249278574	NANMBEOWRWGVAF-MRVPVSSYSA-N	237.263	-0.383	50	10	BBGE	
CCC[C@H](COC)C(=O)NCCC#CB(O)O	2250008727	PIISJFDFOLGSSP-SNVBAGLBSA-N	241.096	-0.429	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)[C@H]1C[C@@H]1B(O)O	2251689629	HXWQJNHILGDWTH-KATARQTJSA-N	238.096	-0.940	50	10	BBGE	
COC1(CNC(=O)C2(B(O)O)CC2)CC(C)C1	2251792775	PFELHRZOCJUJDU-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CNCC(F)(F)C(=O)N1CCC(O)(C#N)CC1	2252845862	FDRRDLKDJOJZAQ-UHFFFAOYSA-N	247.245	-0.282	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1ccc(B(O)O)o1	2255463528	KCHQNPZLUIMTFD-RKDXNWHRSA-N	249.075	-0.122	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(C)c1	2255513226	NGAYDELIIJYSOW-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
CCCN(Cc1cnn(C)c1)C(=O)C#CB(O)O	2255671717	VVURBETWLZJUTC-UHFFFAOYSA-N	249.079	-0.826	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](n2cccn2)C1	2255677502	AESSVLRMHXMEIN-SNVBAGLBSA-N	247.063	-0.938	50	10	BBGE	
O=C(c1cc(B(O)O)cn1C1CC1)N1CC=CC1	2255690918	JHLBXEKAJJLPRD-UHFFFAOYSA-N	246.075	-0.485	50	10	BBGE	
CC1CC(N(C)C(=O)c2ccc(B(O)O)cn2)C1	2255721558	BEEUOBCISLXIDN-UHFFFAOYSA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1n[nH]cc1B(O)O	2255762829	BDHKAVYCBFSRJE-VXNVDRBHSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2257491724	PISHTHSUJDARMG-JZYVYDRUSA-N	246.075	-0.792	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1cccnn1	2258134344	AELYUBKXHVABLO-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2C[C@@]2(O)C1	2298165419	AAULTEQDCJKYHU-BTQIBKBOSA-N	239.319	-0.541	50	10	BBGE	
O=C(N[C@@H](CO)C1CCCC1)[C@@H]1C[C@@H]1B(O)O	2298369422	ULLGJEFHOAYKSR-UTLUCORTSA-N	241.096	-0.483	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2(C)C)C(=O)C(=O)NN	2298688605	SJQJGHDUIGFJDI-HQJQHLMTSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1C[C@@H](n2cncn2)C1	2300926203	JSZZCIBSKAMAMP-XHNCKOQMSA-N	239.279	-0.233	50	10	BBGE	
CN[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2301841191	UACGUJMWTQBRTJ-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](F)C2=O)o1	2301877507	QZECNRMODNKPJG-ZETCQYMHSA-N	241.222	-0.047	50	10	BBGE	
O=C1N[C@@]2(CN3CC[C@@H](B(O)O)C3)CC[C@H]1C2	2303097581	PQWWBOLAXDNGRS-NGZCFLSTSA-N	238.096	-0.796	50	10	BBGE	
OB(O)c1cc(OCCOC2CC2)ncc1F	2303851446	CGGLTZLHXVLAFK-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2312612428	XETZWSPJQUNJHW-CKYFFXLPSA-N	248.091	-0.889	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC[C@@H]2C[C@@H]2C1	2312635778	KQKCLDNAUHFNBP-AEJSXWLSSA-N	248.091	-0.641	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@]12COC[C@H]1C2	2317152086	XZSRHWRHNZKMAK-SKDRFNHKSA-N	244.059	-0.561	50	10	BBGE	
CC=C(C)C(=O)NCCc1cccc(B(O)O)c1	2317683774	KAQAUBGGECIQHG-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
CN(N=O)C(=O)NCCC[C@@H](N)C(=O)O	38417318	QEQYAQFYVFRGQD-RXMQYKEDSA-N	218.213	-0.499	50	10	BBGE	
CCN(CC)S(=O)(=O)C[C@H](C)C(=O)NN	41278857	UJELRXBNNPPXJS-ZETCQYMHSA-N	237.325	-0.716	50	10	BBGE	
Cc1ccc([C@@H](C)NC(=O)C(=O)NN)o1	49231329	NDELNWROGZZLNB-ZCFIWIBFSA-N	211.221	-0.245	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSC2COC2)O1	86196137	GGDDNSXMQYXBPJ-SVRRBLITSA-N	232.305	-0.344	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NC(CO)CO	86550948	VCSYRUYMQSLXAP-ZCFIWIBFSA-N	245.728	-0.866	50	10	BBGE	
CS(=O)(=O)CCN1CCOC[C@H]1CCl	159380862	KDPWPEMSXLJJBT-MRVPVSSYSA-N	241.740	-0.029	50	10	BBGE	
Cc1nn(CCCN(C)C)c(C)c1B(O)O	195942459	PXLSBDSAYCLLPR-UHFFFAOYSA-N	225.101	-0.869	50	10	BBGE	
NNC(=O)N[C@H]1CCCC[C@H]1C(N)=O	196651482	MCMOEFKKRRGIKR-RITPCOANSA-N	200.242	-0.797	50	10	BBGE	
COCCN(Cc1cccc(B(O)O)c1)C1CC1	199006417	OVZGZTLLQKFWDU-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CC[C@H](N)c1nnc(-c2ccc(B(O)O)cc2)o1	211477907	VWCQYXSWDBXSCF-VIFPVBQESA-N	247.063	-0.174	50	10	BBGE	
COc1ccccc1[C@H](NC(C)=O)B(O)O	219703696	NBDWXGOXKNVAMA-JTQLQIEISA-N	223.037	-0.116	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCCO)C1CCC1	228568366	JZGPCIUHUUYEEX-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
Nc1nc(N)nc(NCCC(=O)Cl)n1	238662998	OGZKATDMDYUSMP-UHFFFAOYSA-N	216.632	-0.397	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251351138	QPXXGJOCVLUVMX-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CNC[C@@H]1CCCN([C@H](C)CC(=O)NN)C1	251439122	ANLOWTIHMCONHQ-ZJUUUORDSA-N	228.340	-0.314	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CCN(C)C1	251527541	JXKLJIKMSYSIMU-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CN1CCC[C@@H](NC(=O)CNC(=O)CCl)C1	258681926	IZNQOXGBMYOHJU-MRVPVSSYSA-N	247.726	-0.448	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1cccc(OC)c1	259037144	KFWCTRLBYXJVGL-SNVBAGLBSA-N	223.276	-0.184	50	10	BBGE	
C#CC[C@H](C)NC(=O)NNC(N)=S	307405169	JSLLTFUURVVXDI-YFKPBYRVSA-N	200.267	-0.554	50	10	BBGE	
C[C@@H]1OCCN(CCC(=O)NN)[C@@H]1C	307613175	LJHHLNVBYMFBLG-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1cn(C)nn1	308875764	ULXYXTMMSSIGNJ-LURJTMIESA-N	232.671	-0.201	50	10	BBGE	
COC(=O)[C@@H]1CCC[C@H]1c1cc(B(O)O)on1	310381905	CLPYWXCRUAELSB-RNFRBKRXSA-N	239.036	-0.589	50	10	BBGE	
CCN([C@@H]1CCOC1)[C@H](C)C(=O)NN	379506514	QQTMINSNIHCNJV-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC(=NNC(N)=O)[C@](C)(N)CCC(=O)O	383979279	VLRQNKLHVAJIKG-MRVPVSSYSA-N	216.241	-0.387	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1CO2	387609848	KOWVHHSRUYLOFK-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
N#CCCc1cccc(C(=O)O)c1B(O)O	396135760	XVJRSSKCLYASTI-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
Nc1cc2c(B(O)O)c(CO)ccc2s1	396249700	RAAFENWAOIOKTC-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1cc2scc(B(O)O)c2cc1O	396339254	JTKQPEUWWUIBNC-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)C[C@@H](C)C1)C(=O)NN	398793432	GKRKRBPPUAPVMA-UTLUCORTSA-N	229.324	-0.437	50	10	BBGE	
C#CCOC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405148100	OTYJXJNFSQRZNH-VIFPVBQESA-N	247.059	-0.213	50	10	BBGE	
O=C1COCCCN1C[C@H](O)CCl	688040703	LMWFAFYMNKFRBA-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@]12COC[C@@H]1C2	689290622	WYYVHFQOURUHFW-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
CN(CCCC(=O)NN)C[C@]12COC[C@H]1C2	689291534	ZTLMGYWZYOJELD-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
COC(=O)N(C)CCN(C)[C@@H](C)CC(=O)NN	690817278	RDRWGTFKUORPCG-QMMMGPOBSA-N	246.311	-0.615	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@@H](CO)C1	700400505	YLSGYPYLABXFIL-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
C[C@H]([C@@H]1CCCCO1)N(C)CC(=O)NN	706011190	SYDNTDNZERBGKC-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2COCC[C@H]2Cl)n1	710951207	IWMOORIYQMHCKQ-RITPCOANSA-N	245.670	-0.664	50	10	BBGE	
CO[C@H](C)C(=O)N1Cc2cccc(B(O)O)c2C1	713176762	AHUGCXJNEDKFFS-MRVPVSSYSA-N	249.075	-0.757	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@H](C1)C2(F)F	715406927	ZAXISCWHQWMVHS-KNVOCYPGSA-N	219.235	-0.047	50	10	BBGE	
O=C(NNc1ncccn1)N[C@@H]1[C@H]2COC[C@H]21	793456038	KDBJYDJUXXJUOD-JIGDXULJSA-N	235.247	-0.253	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)C(C)C)n1	814734191	FSINGGUPYMUWFS-UHFFFAOYSA-N	225.252	-0.285	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@H](C2CC2)C1	1347224782	NHNSIEXWLKGABR-QMMMGPOBSA-N	226.232	-0.170	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC12CC2	1348111206	VJAWNLPKGDFDMF-ZETCQYMHSA-N	235.247	-0.094	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)c2ccncc2)O1	1348503113	WPVJASXAGYOBPE-MRVPVSSYSA-N	249.226	-0.452	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NN(C)CCOC	1449370570	MNSGFLCTXXNOOC-JTQLQIEISA-N	216.281	-0.077	50	10	BBGE	
NC(=O)CCC(=O)NNc1cccnn1	1566757657	WWKNESWVPDQVFO-UHFFFAOYSA-N	209.209	-0.815	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1583869849	GFQRMHXTCAFIMM-RNFRBKRXSA-N	210.237	-0.115	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C	1598215751	ALKLJZRGODYOCV-PHDIDXHHSA-N	244.251	-0.778	50	10	BBGE	
O=C([C@H]1C[C@@H]1Br)N1C[C@@H](O)CO1	1881353794	NLAYHWHWXJVWLD-SRQIZXRXSA-N	236.065	-0.096	50	10	BBGE	
C#C[C@H](CO)NC(=O)/C=C/C(=O)Cl	1883648056	VDWJLYIRVZYRLT-FCJGRKLLSA-N	201.609	-0.582	50	10	BBGE	
NNC(=O)CCCS[C@@H]1CC[C@@H]1N	1887477675	BMYODHCXPUAHPL-NKWVEPMBSA-N	203.311	-0.021	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1888652475	PYFFISRXMXECIR-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
O=C(C1CSC1)N1CC[C@H](B(O)O)C1	1891516932	KGVDGICEAKFYQB-ZETCQYMHSA-N	215.083	-0.575	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNC(=O)C1	1893410811	OGERGIRDTHAHGD-UHFFFAOYSA-N	216.624	-0.734	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccccc1S(N)(=O)=O	1894494151	ZWQSJAQFSDGNCA-IONNQARKSA-N	241.272	-0.782	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@H](C)CC(=O)NN	1899742841	AOAXSLVGKPYOEZ-BBBLOLIVSA-N	227.308	-0.234	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(CN)CCC1	1901343886	HRDXQBOLIKBSAK-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CCC[C@@H]2C1=O	1905542498	XJLGURLUDVQKMX-CSMHCCOUSA-N	239.275	-0.460	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]2(CO)CCC[C@@H]12	1906325106	PIRJCSJWOXBESJ-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2COC[C@@H]2C1	1909984292	UJBQFDYSOXMOOT-ZJUUUORDSA-N	241.291	-0.878	50	10	BBGE	
N#CC(C(N)=O)=C1N=CNc2[nH]cnc21	1911937513	DKVUQZWCOIZJIT-UHFFFAOYSA-N	202.177	-0.417	50	10	BBGE	
C#CCCCCC(=O)Nc1ncccc1B(O)O	1913615333	JBBDGVMFCJOCSX-UHFFFAOYSA-N	246.075	-0.107	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@](F)(CO)C1	1917086133	DTIMUUKNRMCIHU-QXFUBDJGSA-N	233.287	-0.593	50	10	BBGE	
CC1(C)C[C@@H](O)CN(CC2(C(=O)NN)CC2)C1	1923163541	HWELNQNQVMFYHQ-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CCOC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927916821	RTFHTLPNIHAAFZ-NKWVEPMBSA-N	232.305	-0.091	50	10	BBGE	
C[C@H](OC1(C)CCOCC1)C(=O)NN	1928537140	OHTIXZPPWAVGLB-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
C[C@H]1CCN(S(=O)(=O)CCl)[C@@H]1C(N)=O	1928673045	XIDQGGGWALHOEQ-WDSKDSINSA-N	240.712	-0.292	50	10	BBGE	
CC1(OCC(=O)NNCCO)CCCC1	1929839126	YINWGCCVSRKBDQ-UHFFFAOYSA-N	216.281	-0.051	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)CCC(=O)NN	1929908038	LHELXFYEBZGXDR-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1CCS1(=O)=O	1930853723	RBJLAGJJEHWZMY-RXMQYKEDSA-N	247.725	-0.711	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CC[C@H]21	1931927398	PPJJILRQSFAOKH-PHDIDXHHSA-N	215.278	-0.917	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC12CC2	1933373441	WWNXWBKTCOHLGZ-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
COCCN(CCF)C[C@@H]1C[C@H]1C(=O)NN	1936084648	NPMAMIFXDSDBMV-DTWKUNHWSA-N	233.287	-0.470	50	10	BBGE	
C[C@H](CN1CC[C@H]2COCC[C@@H]21)C(=O)NN	1936281262	BKDDOIGTUSNDDI-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CN1C[C@@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1939746326	LJXSQZBXBLLEAX-NXEZZACHSA-N	225.292	-0.988	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@@H]2COC[C@@H]21	1940444400	YPQIXKRUNBDKBY-JDDHQFAOSA-N	237.255	-0.062	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCn2ccnc2C1	1940868269	SRGFYKUHTHVIJT-UHFFFAOYSA-N	245.233	-0.676	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1CCOCC(=O)NN	1941784317	NHKJRFQAJILZHP-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3OCC[C@H]3C2)CC1	1945892129	KOPXKZQRAUKBQD-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
Cc1nn(C[C@H]2OCC[C@H]2C)c(C)c1B(O)O	1947085447	AKMWYFIVBMZEOC-GMSGAONNSA-N	238.096	-0.395	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1C[C@H]1CO	1954196464	NAKSNCIABLQUAI-BQBZGAKWSA-N	227.713	-0.227	50	10	BBGE	
COC(=O)[C@@H](C)S(=O)(=O)N1CC(Cl)C1	1956896056	IQETVOUOELLPCQ-RXMQYKEDSA-N	241.696	-0.199	50	10	BBGE	
NNC(=O)CCN1CC2(CC(F)C2)C1	1956906768	UVMWHYQQHSLDLA-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
O=C1[C@@H]2CCO[C@@H]2CN1C[C@H](O)CCl	1956922730	ISMTZVXECXSWQG-BWZBUEFSSA-N	219.668	-0.167	50	10	BBGE	
OB(O)c1csc(-n2cc(Cl)cn2)n1	1956963825	DGDOOJRALUMQLH-UHFFFAOYSA-N	229.457	-0.338	50	10	BBGE	
C[C@@]1(CO)CNCCN1C[C@H](Cl)C#N	1957254129	SOFSBQLKJKPZCA-BDAKNGLRSA-N	217.700	-0.226	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1958700457	CUXTVPNEKLBWGB-NTSWFWBYSA-N	211.225	-0.805	50	10	BBGE	
C#CC1(CNC(=O)c2ccc(B(O)O)cc2)CC1	1965312649	NZEPPCZFTCNHAK-UHFFFAOYSA-N	243.071	-0.490	50	10	BBGE	
NNC(=O)C(F)(F)CCSC[C@H](O)CO	1975105041	WGCKOWZFXHQUEY-RXMQYKEDSA-N	244.263	-0.912	50	10	BBGE	
CCC=C(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976980152	UYUUGZVKFYRFHN-ZETCQYMHSA-N	229.041	-0.615	50	10	BBGE	
C[C@H](CN(C)CCOCC(=O)NN)C1CC1	1978613007	HKHFMSGOXDORPD-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CCCN(c1ncncc1B(O)O)C1CC1	1981414317	QEZZLUHTLWKLCH-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@@]1(C)CCOC1	1982703172	VOJAPJZOVUPWMU-VIFPVBQESA-N	242.109	-0.562	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)cn2)CCCOC1	1989799115	SBTAOSDPBHILTQ-JTQLQIEISA-N	224.069	-0.620	50	10	BBGE	
CSC[C@@H]1CCN(CC(=O)NNC(C)=O)C1	1990774151	FLJODDNCTXSMDX-SECBINFHSA-N	245.348	-0.161	50	10	BBGE	
CO[C@H]1CN[C@@H](CNC(=O)C=CC(=O)Cl)C1	1991653016	UOSKJGIJMKBJBR-HTQZYQBOSA-N	246.694	-0.199	50	10	BBGE	
NNC(=O)C(F)(F)OCC1COCCOC1	1994134362	CDZQMPVLWFATAX-UHFFFAOYSA-N	240.206	-0.751	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2CC2CC2)nc1	2004912216	QDZCRVNDFYTNHK-JTQLQIEISA-N	233.080	-0.465	50	10	BBGE	
CCCOCCOc1cc(C)c(B(O)O)cn1	2004930548	UPMJQLYPECWYDG-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@]1(C)CCOC1	2004933842	AAAQIDPHJUUCNH-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]2C3)c(F)c1	2005017106	ZUHATZMFZCRUKN-CBAPKCEASA-N	236.055	-0.111	50	10	BBGE	
CCC(CC)n1cnc2c(B(O)O)ncnc21	2007070643	TYZWPTDEPSVVHJ-UHFFFAOYSA-N	234.068	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1COC(C)(C)CO1	2007706313	CHCGLJJTNGNSDY-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
COC[C@H](C)CCOc1cncc(B(O)O)c1	2014202907	CQTOVFNCKHRKHJ-SECBINFHSA-N	239.080	-0.187	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCOC[C@@H]1F	2019175247	AKMXSWPIEHEKLU-IUCAKERBSA-N	247.270	-0.788	50	10	BBGE	
CCCOCC1CN(CC(=O)NNC(C)=O)C1	2019208421	HYSYEMYBXWELEG-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
COC1CC(CCC(=O)NCC=CB(O)O)C1	2020055852	FQHXUGNBNXUBSX-UHFFFAOYSA-N	241.096	-0.124	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccccc1B(O)O	2022195939	DHHYNTNDKSOJDJ-VIFPVBQESA-N	233.076	-0.009	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncncc3B(O)O)C[C@@H]12	2025801321	QPUSNSIJDFZWGD-VGMNWLOBSA-N	233.080	-0.751	50	10	BBGE	
N#Cc1c(B(O)O)cc(F)cc1[N+](=O)[O-]	2060170259	DLHDZNPNUJFEOY-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CC(C)OCc1nscc1B(O)O	2209232540	OKMAIFYOUPJOSI-UHFFFAOYSA-N	201.056	-0.252	50	10	BBGE	
O=S(=O)(CCCl)NCCN1CCCO1	2209504135	CPPOKNNRHQHONR-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2210730440	GJMVPRTVIZJCOW-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)[C@@H](C)CN1C	2212070605	MRQICMWLVBYZAC-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H]3C[C@H]32)CCC1	2212261214	HDZLCHKHBRIHHP-BDAKNGLRSA-N	225.292	-0.380	50	10	BBGE	
CC[C@]1(C)C[C@H]1Nc1ncc(B(O)O)cn1	2212604420	WEPGYTIYGMNQBG-PSASIEDQSA-N	221.069	-0.243	50	10	BBGE	
OB(O)c1ccc(NCC2(O)CCC2)nc1	2212613886	ZYTVPOACPJUHKV-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
CCNC(=O)Nc1nc(B(O)O)ccc1Cl	2212764791	PYNVHLICMGUSFO-UHFFFAOYSA-N	243.459	-0.444	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1(CO)CCC1	2216531397	BLWVTLNWWOHKMQ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](O)C1(Nc2nccc(B(O)O)c2F)CC1	2217181822	VRYHHVZZEXCICU-LURJTMIESA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC3)CO2)c1F	2217183532	IZQTVSRRUDALLQ-UHFFFAOYSA-N	238.027	-0.568	50	10	BBGE	
CC[C@H](O)[C@@H](CC)Nc1ccc(B(O)O)cn1	2217202419	WNQBWRFMBVZYBY-ZJUUUORDSA-N	238.096	-0.277	50	10	BBGE	
OB(O)c1cccnc1NCCc1cscn1	2217203811	ANQAQNVJZNCDQG-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@@H]3CC[C@@H]32)c1	2223624582	AITORXIPKOOZGF-HBNTYKKESA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(N(C)CC2CN(C)C2)cc1B(O)O	2223649560	AWPNKTKLLRFEBK-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3COC[C@@H]32)cc1B(O)O	2223651638	DIEADNXEEYTAEY-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](N3CCC3)C2)c1	2223668737	AICVTFQHXVRJFC-NSHDSACASA-N	247.107	-0.954	50	10	BBGE	
C[C@@H](Cn1cccn1)Nc1cc(B(O)O)ccn1	2223670042	RVIVJTFGNGQHBG-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2243350045	UTOREKXEUXYWLH-MYJAWHEDSA-N	221.065	-0.351	50	10	BBGE	
COC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363404	GIMJVUBKCKJCCB-QMMMGPOBSA-N	227.069	-0.512	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)C1(B(O)O)CC1	2243364229	SYWSTFHYBYCGOT-BQBZGAKWSA-N	231.032	-0.763	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2243364719	BGDHBYRUXHJKAT-ZETCQYMHSA-N	227.069	-0.635	50	10	BBGE	
COC[C@@H](C)NC(=O)c1sccc1B(O)O	2243373935	BIBKRBLMNAVHOZ-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
C[C@H]1CCN(C(=O)C#CB(O)O)C[C@H](C)C1	2243400881	JEOVFNIIENGYIS-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CC1	2243407966	DFNIIQNSDYZCBI-GJMOJQLCSA-N	225.053	-0.713	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCCN1	2243408060	GDYCWQLGTSOROO-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CCC[C@H]1C)B(O)O	2243411835	BAMKIKZGEMJADI-VXNVDRBHSA-N	247.125	-0.337	50	10	BBGE	
C[C@@H](CCN)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243418034	ZIDVOSDHNPLMEC-XHNCKOQMSA-N	228.101	-0.565	50	10	BBGE	
CN(CCC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243753327	SQXKVVZXPOOYKJ-KNVOCYPGSA-N	229.041	-0.828	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cocc1B(O)O	2244205462	JRRYQVPSOJDGBZ-MUWHJKNJSA-N	223.037	-0.512	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cocc1B(O)O	2244215382	CTFASDPIMCDKFH-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
C[C@]1(CO)C=CCCN1CC(F)(F)C(=O)NN	2246349959	OSWIFKKKQCIJHB-SECBINFHSA-N	249.261	-0.376	50	10	BBGE	
C[C@@H](C(=O)Nc1cc(B(O)O)ccn1)C(F)F	2247494158	NHEAQLQVMNBQML-RXMQYKEDSA-N	244.006	-0.399	50	10	BBGE	
CC1(C)OC2(CNC(=O)C#CB(O)O)CC1C2	2247741344	YDKDLEQQNVXNOX-UHFFFAOYSA-N	237.064	-0.924	50	10	BBGE	
CC(C)(C)[C@H](CO)CNC(=O)C1(B(O)O)CC1	2247755020	IARFZLJFRDZSQE-QMMMGPOBSA-N	243.112	-0.236	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CN1C	2247756199	MRKGYOUTQOVFQE-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1C(=O)C1(B(O)O)CC1	2247756514	NKRWPAXXINPDHC-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
CCCOCC1CN(C(=O)C2(B(O)O)CC2)C1	2247759303	ZZQPJMFKIJBDKI-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(C)c(B(O)O)o1	2247789561	XZCJQRHFNBPOHB-JGVFFNPUSA-N	237.064	-0.204	50	10	BBGE	
CC[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1CC1	2247789914	CSPSIGQORGLHTJ-MRVPVSSYSA-N	237.068	-0.992	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](CN)C1CC1	2247793363	XILWAGFICNNZLS-KXUCPTDWSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@H](C2CC2)C1	2247798302	SDYMMVVHZDNSCR-BBBLOLIVSA-N	239.080	-0.513	50	10	BBGE	
CC(C)(C)C[C@H](O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247798756	WXNRUKFLIBVMOY-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
CCc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247805739	KWJZAJXHOWLOOJ-JGVFFNPUSA-N	237.068	-0.549	50	10	BBGE	
COC(C)(CCNC(=O)[C@H]1C[C@@H]1B(O)O)OC	2247809942	SMQQCQICORQTSZ-YUMQZZPRSA-N	245.084	-0.635	50	10	BBGE	
CC(=O)c1ccc(NC(=O)C#CB(O)O)cc1	2247848265	JLWHHLXJYMUXQD-UHFFFAOYSA-N	231.016	-0.157	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)oc2C)C1	2247854097	XHJAAFFOSFEHQJ-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1coc(B(O)O)c1	2247873375	JCBPLXXLIGBFGW-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1cn(C)cn1	2247877365	GYBBXWSAKDDVJF-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
N[C@H]1CCCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247879068	PXNZDJRALCWKQL-DTWKUNHWSA-N	240.112	-0.230	50	10	BBGE	
C[C@]12CNC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247879451	VLDCWYIDTYQKEY-WCBMZHEXSA-N	238.096	-0.939	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1N	2247886765	GCRPUAZTHSUROA-FNCVBFRFSA-N	240.112	-0.661	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)co1	2247886946	IDUJKLMAGVAARN-RKDXNWHRSA-N	238.052	-0.196	50	10	BBGE	
Cn1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1=O	2247888129	WIZVHARVXPVIFT-BQBZGAKWSA-N	236.036	-0.813	50	10	BBGE	
O=C(NCCCOCC1CC1)[C@@H]1C[C@H]1B(O)O	2247895624	UQLMBJLOYZEACK-NXEZZACHSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247899193	LFTOANNCHKNZBN-TVNFTVLESA-N	245.034	-0.181	50	10	BBGE	
Nc1cccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247899509	NRPVXHRWHKOPGR-ZJUUUORDSA-N	234.064	-0.252	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2248574694	UNSVBLCSWRTXLY-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NCCC#CB(O)O)CO1	2250001271	UOIFCQXQFHEBTP-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC[C@@H](O)C2)CC1	2250537882	QVONVEDNRCMACP-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]21	2255455596	BVHKBUDWDTXTSX-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)cn1CC	2255735214	PFLYDXISULSMOH-JTQLQIEISA-N	246.075	-0.965	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1C[C@H]2C[C@@H]2C1	2256017027	CMIDXBQSUAVSBS-HTQZYQBOSA-N	247.059	-0.836	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ncoc1C1CC1	2258958960	ZQUDTULDMKJOOX-UHFFFAOYSA-N	248.047	-0.313	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cncn1C	2298370296	VBWAGBUGMBUCTJ-BWZBUEFSSA-N	237.068	-0.540	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2298371828	WZKNSJXQZBXHRU-TURQNECASA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298376952	YWOXCLBWZJBMSI-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2298377282	KXMPATGIAPXMSH-DJLDLDEBSA-N	240.112	-0.646	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Cn1ccc(B(O)O)n1)CO2	2300541884	ADTSYSYJYIXMPY-ATZCPNFKSA-N	236.080	-0.622	50	10	BBGE	
CC1(C)COC[C@H]1COCCOCC(=O)NN	2301161321	RSHSMTSJQAOWHB-SECBINFHSA-N	246.307	-0.318	50	10	BBGE	
C[C@H](COCCN1CCOC[C@H]1C)C(=O)NN	2301603842	XMBNRRXZCKBETM-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
Cn1ccnc1C(=O)N1CC[C@@](C)(B(O)O)C1	2303107145	XGQJPUVDNXZEOT-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
COC[C@@H](OCc1cc(C)ccn1)C(=O)NN	2303618203	XSLFPXFREAOTFI-SNVBAGLBSA-N	239.275	-0.088	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2313082817	AZHBMGAGIQMISL-SDCKUUTBSA-N	247.059	-0.560	50	10	BBGE	
CC(C)[C@H](O)CNc1ccc(B(O)O)cc1C#N	2317164824	DTHNJUJOVBRSJR-GFCCVEGCSA-N	248.091	-0.333	50	10	BBGE	
Cc1cccc(COc2ncc(B(O)O)cn2)n1	2319285137	UEYQDSONFVCXFW-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
C[C@@H](O)CNC=C(C#N)C(=O)NCCCl	2325271933	HYEFRZQQZXNVHU-SSDOTTSWSA-N	231.683	-0.281	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nccn1C	82469269	LFBCXWWJGNXUCO-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCNCC1	82469782	KUZMRJBAFIYEML-QMMMGPOBSA-N	200.286	-0.950	50	10	BBGE	
COCCS(=O)(=O)NC[C@H](Cl)COC	83212694	IXSOMHXWDVQJHL-ZETCQYMHSA-N	245.728	-0.194	50	10	BBGE	
C=CCOC[C@H]1CC[C@@H](C(=O)NN)O1	84689157	XDEMIMGYXVQSLO-SFYZADRCSA-N	200.238	-0.274	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NCCC(N)=O	86550180	ZCTZDDQMMWJUTC-LURJTMIESA-N	242.728	-0.344	50	10	BBGE	
C[C@@H](O)CN(C)CC(C)(C)C(=O)NN	86597798	IXWLMZNQDYXCLV-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
NNC(=O)c1occc1CN(CCO)C1CC1	110597020	NZLNWUCKSUIPDX-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)CCl	130229016	BCTMGEYVJGGNPJ-YUMQZZPRSA-N	248.710	-0.165	50	10	BBGE	
O=C(CBr)N1CCOC[C@H]1CO	135326416	BUCLKTISBXLOHJ-ZCFIWIBFSA-N	238.081	-0.399	50	10	BBGE	
C[C@H]1CCCN(c2cncc(B(O)O)c2)C1	203614171	HMNACMXBAGDNKC-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
O=C1NC(=O)N(COCCO)C[C@H]1Cl	211394902	AJHVHXGYPPBOKR-RXMQYKEDSA-N	222.628	-0.888	50	10	BBGE	
CC(C)CNC(=O)CN(C)C[C@@H](C)C(=O)NN	228299845	DYFIRTATJIIAQK-SECBINFHSA-N	244.339	-0.684	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383851	LUPKNHBUZROUKR-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
O=C(CCl)N[C@H](CC#CCO)C(=O)O	238674092	BHJXEPNLFHTHQI-ZCFIWIBFSA-N	219.624	-0.820	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCCC[C@H]1CO	253189462	ZOXRATRKPMFUFR-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)cnc1Br	306655274	KJXSHVTYQQSOMJ-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](O)CC1	378796324	QREWBWDCSUWAQS-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	379698129	JJWKYZOFMDXOSV-OAHBRNHXSA-N	236.340	-0.335	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1CCCN(CCCl)C1	384438983	XIPTUUMBIRCAMA-QMMMGPOBSA-N	244.730	-0.253	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CC(C)(C)C(=O)NN	395055412	BOEPZRCWNURZFS-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
COc1cccc(B(O)O)c1CCC#N	396029798	GPSUZCVKSWFSIL-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
O=Cc1cccc(B(O)O)c1CC(=O)CCl	396070022	NRWRMVUMBHCERB-UHFFFAOYSA-N	240.451	-0.471	50	10	BBGE	
N#CCc1cc(B(O)O)c2[nH]cnc2c1	396091298	ZRNJECCAHGBTLH-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
OCc1c(O)ccc2sc(B(O)O)cc12	396334472	CFUJUSRFYVAKNI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C[C@@H](C)C(=O)NN	399407850	JCURYYHQKAUTPL-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@]1(O)C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1	585000704	NSLADIUPTHEWPW-KLPPZKSPSA-N	249.075	-0.990	50	10	BBGE	
OB(O)c1cncc(O[C@H]2CCCO2)c1	686729266	PHGXBHFELDQBLP-VIFPVBQESA-N	209.010	-0.723	50	10	BBGE	
Cn1nnc(C(=O)NCCCCl)n1	697201550	RLIKUEABMHFODN-UHFFFAOYSA-N	203.633	-0.431	50	10	BBGE	
O=C(NCB(O)O)c1ccc(-n2ccnc2)nc1	701933524	ZVKWRYRLVLWYBR-UHFFFAOYSA-N	246.035	-0.991	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1n1ccc(B(O)O)n1	703688883	YTXQFERJQYPNHX-RKDXNWHRSA-N	224.069	-0.307	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCNC(=O)C[C@@H]1C	707347195	PQSQYBMWPOJPEN-WPRPVWTQSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	708298088	USEARHVBUMACFV-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
COC[C@@H](Cl)CNCCn1cnnn1	712590693	FEXGYBZWZVTPED-ZETCQYMHSA-N	219.676	-0.484	50	10	BBGE	
CC[C@H](Sc1nc(O)cc(O)n1)C(=O)NN	716516747	JSXNOCHDCGQXSU-BYPYZUCNSA-N	244.276	-0.252	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1C[C@H]2CCCN(C2)C1	718917428	BLLWIZYQBFCRFC-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CCN(Cc2ccc(B(O)O)cc2)CCO1	720458025	ZROZSERXGPSTBQ-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
CN(N)C(=O)C1=CSC(=[N+]([O-])O)C1	725598762	JVLFYXKYJBSSJT-UHFFFAOYSA-N	203.223	-0.363	50	10	BBGE	
CN1CN(C(=O)NNC(=O)C(C)(C)C)CC1=O	765266836	RMFFXCDJNWRTHN-UHFFFAOYSA-N	242.279	-0.495	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nn2)o1	808403524	NMAJNGORCGYEDQ-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1CCc2nc[nH]c2C1	856756526	CFRIVUQGJVDMQE-LURJTMIESA-N	238.247	-0.098	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccc(OC)cc1	1084237148	WJCQWZQZCTXLPN-UHFFFAOYSA-N	235.243	-0.109	50	10	BBGE	
CC(=O)NNC(=O)c1cnc2n1CCOC2	1328071494	MMHHEBJKBOTHOU-UHFFFAOYSA-N	224.220	-0.806	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ncccc1N	1447802823	OCBARHVWSVHACF-UHFFFAOYSA-N	238.247	-0.804	50	10	BBGE	
COc1cnc(C(=O)NNc2nc[nH]n2)nc1	1472574424	UOHLEEDXNUJRAV-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
CS(=O)(=O)CCNOCCCl	1880351322	XKCKTOFKZCALEG-UHFFFAOYSA-N	201.675	-0.209	50	10	BBGE	
O=C(O)[C@@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883634399	JTCWAXVWZOFQJO-VAYJURFESA-N	207.613	-0.825	50	10	BBGE	
NC(=O)[C@H](N)CNCC1CC(Cl)C1	1883648971	JJOIGNUOYNZXIA-KPGICGJXSA-N	205.689	-0.594	50	10	BBGE	
CC[C@H](CCl)NC(=O)Cn1cnnn1	1884659456	JPNROUAWTLSYSL-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C[C@H](O)CCl	1885616006	HLUHTZWGVSIEMK-GJMOJQLCSA-N	223.700	-0.598	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(C[C@H](O)CCl)C[C@@H]21	1887084457	QWKQOYICXIUSLH-RNJXMRFFSA-N	239.724	-0.685	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C(F)F	1888561742	IPUWGSOUERWXQY-UHFFFAOYSA-N	230.236	-0.046	50	10	BBGE	
Cn1[nH]c(=NC2CC(Cl)C2)[nH]c1=N	1892906036	YRVODGOXEXAANA-UHFFFAOYSA-N	201.661	-0.169	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@@H]2Cl)CC(O)C1	1893109125	XHVHNKLYPJSCHH-MACCYVAKSA-N	218.684	-0.418	50	10	BBGE	
CC(=CCN)C(=O)NN(C)S(=O)(=O)C(C)C	1901340619	HWMVBADWKKDPQL-UHFFFAOYSA-N	249.336	-0.407	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CC(F)(F)CC1=O	1906336183	FIKVUQDHLXEIJI-RXMQYKEDSA-N	249.217	-0.461	50	10	BBGE	
CO[C@@H]1CC(N(C)CCC(=O)NN)C[C@H]1OC	1906527581	JCXJZORQRHZHGC-NXEZZACHSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]2C[C@]2(O)C1	1906991691	ZCMXLZPKGAJZDY-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](COC)OC[C@@H]1CC[C@H](C(=O)NN)O1	1908720258	ZQUYVOBMNKETGS-KXUCPTDWSA-N	246.307	-0.035	50	10	BBGE	
C[C@@H](CN1C(=O)C[C@@H](C)C1=O)C(=O)NN	1912214926	AKSSCRNSLHHIKR-RITPCOANSA-N	213.237	-0.993	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC(F)(F)C(=O)NN	1914257450	SUMVDDQIELYGBN-PHDIDXHHSA-N	223.223	-0.933	50	10	BBGE	
CN(Cc1cccc(C(=O)NN)n1)C1COC1	1915649621	CDAOSULCRIOKGC-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
C[C@H](CCO)N(C)CC(C)(C)C(=O)NN	1917042655	GFKYBHDLNSUFJF-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@H]1C[C@@H]1C(=O)NN	1918075379	ULYJBFWBTPPYBG-BJLCURGVSA-N	249.336	-0.643	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)C(F)(F)F	1923406715	NQNQVQQLJPKTOT-QWWZWVQMSA-N	221.138	-0.144	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CSC[C@@H](C2)C1	1927960363	QKJQIEQDZHNBOH-BQBZGAKWSA-N	229.305	-0.812	50	10	BBGE	
CS[C@@H]1CCN(CCOCC(=O)NN)C1	1928178108	CDRDQSNZKIJGHW-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)CC12CC2	1930231147	HQQRSVAQPIDYID-HTQZYQBOSA-N	213.281	-0.524	50	10	BBGE	
C[C@@]1(CCl)CN(CCNC(N)=O)C1=O	1931734721	GXFRHBCWNUPBNW-MRVPVSSYSA-N	219.672	-0.258	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H]1C(F)(F)F	1935090957	YHLKZLWLLWQMAT-STHAYSLISA-N	211.143	-0.116	50	10	BBGE	
NNC(=O)C(=O)NC1([C@H]2CCCCO2)CC1	1935694741	DSVDEHZPEZSEJF-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CC(F)(F)C(=O)NN	1935942720	VJQKKZYAAVSLFM-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
Cc1nnc(SCCOCC(=O)NN)n1C	1936526902	QWSBUQQPYMFDOF-UHFFFAOYSA-N	245.308	-0.778	50	10	BBGE	
CN(C(=O)Cn1ccnn1)[C@@H]1COC[C@@H]1Cl	1937146595	OSPDWMWUKHWMOQ-JGVFFNPUSA-N	244.682	-0.257	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1[C@@H]2CCC[C@@H]12	1938329106	DVLZTPWKLXOLSQ-IWSPIJDZSA-N	227.308	-0.278	50	10	BBGE	
COC[C@]1(OC)CCN([C@H](C)C(=O)NN)C1	1938620118	FAQBYFLMNPCBPT-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)nc1[N+](=O)[O-]	1941092048	FRDSJAUUWHKZBW-NKWVEPMBSA-N	239.235	-0.274	50	10	BBGE	
CC(C)(CN1CC[C@@H](B(O)O)C1)S(C)(=O)=O	1951321140	ZMNYRLNDOATSGJ-MRVPVSSYSA-N	249.141	-0.642	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(CC(=O)NN)C1	1955411793	SQKKCTGRQKTVQH-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CCN1CCN(CC(=O)NN)[C@@H](C)C1	1955654013	OHYXAQGUNKTZBX-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
COC1(Cn2cc(B(O)O)cn2)CCC1	1960726594	NKCYSEZGRPEMCU-UHFFFAOYSA-N	210.042	-0.868	50	10	BBGE	
C[C@@H](CCl)CN1CCN(CCO)C(=O)C1	1961457410	WSHCXTOMMGXKDQ-VIFPVBQESA-N	234.727	-0.002	50	10	BBGE	
CN(C)CC1CC2(CCN2CC(=O)NN)C1	1976935486	ZDCCVDWEEXZQOS-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
CCCN(C)Cc1nn(C)cc1C(=O)NN	1980594735	UUHCYZIECBCSKA-UHFFFAOYSA-N	225.296	-0.135	50	10	BBGE	
CCCN(CCC#N)[C@H](COC)C(=O)NN	1980730349	BXEMVHRFZVSMSL-SECBINFHSA-N	228.296	-0.383	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1CCCC(=O)NN	1981411580	LZFIHMBZNSVOIC-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21)C(=O)NN	1982000516	RTZOJWIBKNRXGD-ZEBDFXRSSA-N	223.276	-0.521	50	10	BBGE	
NC(=O)NNC(=O)c1cccn2cnnc12	1983537596	MKICWHUVFYKKFG-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CC(C)(CN1CCC=C[C@@H]1CO)C(=O)NN	1985649672	ZWAANZJMQVQSKZ-SECBINFHSA-N	227.308	-0.375	50	10	BBGE	
CCCCOCOc1cncc(B(O)O)c1	1987446930	QUCMAMFAEIGGQZ-UHFFFAOYSA-N	225.053	-0.086	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CC(C)(C)C(=O)NN	1987561898	FBYGFDJNJCBTBK-DTORHVGOSA-N	226.324	-0.609	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1[C@H]2CC[C@H]12	1991334406	WCDIXLAOABAZEN-ACLDMZEESA-N	221.065	-0.141	50	10	BBGE	
CN=c1nc(OC)[nH]c(=NC[C@@H]2C[C@H]2Cl)[nH]1	1991455537	LUYHLJRJHBZWBI-NTSWFWBYSA-N	243.698	-0.195	50	10	BBGE	
O=C(O)[C@@H]1CN(CC2CC(Cl)C2)C(=O)CN1	1991699288	BUYOWUKJLFXSGM-RRQHEKLDSA-N	246.694	-0.111	50	10	BBGE	
C[C@H](O)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991717198	UVTIJNFUKNUUFH-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
C=C(CN(C)Cc1c(C)cnn1C)B(O)O	1992167073	DIMNTKUIENHHSX-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
C=C(CN(C)CC(COC)COC)B(O)O	1992689490	AKOJULSVGBNEBC-UHFFFAOYSA-N	231.101	-0.605	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1993219874	UPCRDIJGRMTTJW-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
CC=CC(=O)NCc1ccc(B(O)O)cc1	1994687393	IMLGRYMRYYKBHA-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
CO[C@H]1CN[C@@H](CN2CCC(O)(C#N)CC2)C1	2002120940	FVQQJGFPHFOBRB-GHMZBOCLSA-N	239.319	-0.286	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](OCCO)C1	2003872462	NNMRIOWIOVERQD-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
C[C@]1(C#N)CCCN(CCOCC(=O)NN)C1	2004358758	MOXSYDIMOFBHJA-LLVKDONJSA-N	240.307	-0.381	50	10	BBGE	
C[C@H]1CC[C@@H](C)CN1c1ncc(B(O)O)cn1	2004911583	IUFLWHWKAPDGAG-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CCC[C@H]2C1	2004933588	JOFVLEAYBGILGP-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@H]3C2)ncc1B(O)O	2004971335	PSMUAEPMIAMUET-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
CCCc1cnn(-c2ncc(B(O)O)cn2)c1	2004990206	FRFUAQKWEFSEGW-UHFFFAOYSA-N	232.052	-0.705	50	10	BBGE	
CC[C@@H]1CCN1c1ncc(B(O)O)c(OC)n1	2005013822	BGBWISKLSDKENU-SSDOTTSWSA-N	237.068	-0.846	50	10	BBGE	
CO[C@H]1CCN(c2ncc(B(O)O)cc2F)C1	2005015025	VBXSMXXXXBFZDJ-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1[C@H]2COC[C@H]12	2006199439	SKDGOFUNAVYOEV-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
COC[C@@H]1CN([C@H](COC)C(=O)NN)C[C@H]1C	2006563030	QSLQWRIGPCWYFD-KXUCPTDWSA-N	245.323	-0.794	50	10	BBGE	
Cc1nc(C(N)=O)ccc1O[C@H](C)C(=O)NN	2007700709	LINWBKBXZJWLIV-ZCFIWIBFSA-N	238.247	-0.754	50	10	BBGE	
CCC(F)(F)CCn1cc(B(O)O)ccc1=O	2008839702	ASMXDMSWYSWFJP-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975876	VAONCZHLVTUAMO-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@H](O[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	2012113026	MDOZPYTXBDSKCM-IWSPIJDZSA-N	239.279	-0.233	50	10	BBGE	
COC[C@@H](C)CCOc1ccncc1B(O)O	2014223116	BBZADBDVTGBOLJ-VIFPVBQESA-N	239.080	-0.187	50	10	BBGE	
CN1CC(COc2cc(B(O)O)ccc2F)C1	2022090617	IOYSXGOCJICDEP-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
OB(O)c1cnccc1N1Cc2ncsc2C1	2023209249	LYPHPTGQKXMIQS-UHFFFAOYSA-N	247.088	-0.262	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccn2nccc2c1=O	2028055016	ZRHFMNVDMBHTOI-SFYZADRCSA-N	247.258	-0.878	50	10	BBGE	
COc1cc(B(O)O)cc(C)c1[N+](=O)[O-]	2060379905	PGWCFCCSAZJZOF-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
O=C(CCc1ccc(O)cc1)NCC#CB(O)O	2077483769	RILHZSLHNLISSO-UHFFFAOYSA-N	247.059	-0.544	50	10	BBGE	
OB(O)c1ccc(COCc2cncnc2)cc1	2080338041	ZUMQGOTVYPZLRK-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@]1(F)CCOC1	2212152136	JINFDWUDLUSUMR-SCZZXKLOSA-N	233.287	-0.185	50	10	BBGE	
OB(O)c1ccc(NC2C[C@@H]3C[C@H]3C2)nc1	2212600594	DONFPKKDFMCKAW-YUMQZZPRSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H]2CF)[nH]c1	2212603076	BZLDLAWSYHNVCP-HTQZYQBOSA-N	224.044	-0.799	50	10	BBGE	
OB(O)c1ccnc(OC2C[C@H]3C[C@@H]3C2)c1	2212606371	SNANEFOZVPOPNV-HTQZYQBOSA-N	219.049	-0.061	50	10	BBGE	
C=C(CCN)CNc1ncccc1B(O)O	2212610566	KTIRUFHRUJBUDM-UHFFFAOYSA-N	221.069	-0.922	50	10	BBGE	
C=C1CCCN(c2ncc(B(O)O)cn2)C1	2212612943	QHILWAFRGLDIQQ-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
CCCN(CCC#N)c1cc(B(O)O)ccn1	2217176158	SDWDPTRTLPOADZ-UHFFFAOYSA-N	233.080	-0.109	50	10	BBGE	
CC(C)N(CCO)c1nccc(B(O)O)c1F	2217182012	XYUVXVUWQMFVMP-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
C[C@H]1CNCC[C@H]1Nc1cc(B(O)O)ccn1	2217183472	LMZWDGXYHUXYSH-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](C#N)CN(C)c1nccc(B(O)O)c1F	2217183977	PFLSCJADFVKJBX-SSDOTTSWSA-N	237.043	-0.504	50	10	BBGE	
Cc1cnc(NCC(F)(F)CO)cc1B(O)O	2217184174	QOHHWIRBLGKNLW-UHFFFAOYSA-N	246.022	-0.891	50	10	BBGE	
OC[C@H]1C[C@@]2(CCN2c2ncccc2B(O)O)C1	2223632641	MMEIXKVKEQLMTD-OTCDBFHCSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(CNc2ccc(B(O)O)cn2)cn1	2223638019	IPSBCXXQAVKGOF-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cnc(N[C@@H](C)c2nc[nH]n2)cc1B(O)O	2223641887	XCUXGOSVYHIRPF-ZETCQYMHSA-N	247.067	-0.639	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C[C@@]23CCOC3)c1	2223662081	SEJPIQBXESJBNT-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@H](N)C1	2223670028	RPPVHTFTDDFWHO-QWRGUYRKSA-N	249.123	-0.533	50	10	BBGE	
CCc1c(Nc2ncccc2B(O)O)cnn1C	2223676340	ZUUWKBYAJDHEJO-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
CN(C)NS(=O)(=O)N1CC(Cl)C1	2241354102	RTZQOYRFKRITPX-UHFFFAOYSA-N	213.690	-0.780	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)C#CB(O)O)C1	2243356788	MVHPZYINUUPVJW-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
O=C(N[C@H]1CCCNC1)C1(B(O)O)CCC1	2243363554	ISQORNOTXGISKB-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
C[C@]12C[C@](NC(=O)[C@H]3C[C@H]3B(O)O)(CO1)C2	2243391168	HHQKAPDBJDTQIO-MBLNEYKQSA-N	225.053	-0.713	50	10	BBGE	
CCNCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396221	JGOPLKQWNXVSOF-KYZUINATSA-N	228.101	-0.645	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243396652	PAVKTGOMEQCBKH-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC(F)(F)C1	2243410332	ZSPALSMBHDBRLG-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
CN(CC(F)F)C(=O)c1occc1B(O)O	2243410663	FVDJRLOQGWYJHO-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2243420251	PJTDAFSPYWLDPI-RYPBNFRJSA-N	227.069	-0.752	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)[C@@H]1C[C@@H]1B(O)O	2243420713	XXHRPGQTNILJHA-JIOCBJNQSA-N	225.053	-0.856	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)[C@@H]1C[C@@H]1B(O)O	2243426969	OHXDSCRXQUCDNG-YIZRAAEISA-N	226.085	-0.892	50	10	BBGE	
C=C=CCC(=O)NCc1sccc1B(O)O	2243686509	NGRGFWZUWZNXDE-UHFFFAOYSA-N	237.089	-0.225	50	10	BBGE	
Cc1cnsc1C(=O)NCCC#CB(O)O	2244550111	NFGCUSHSCJTATR-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
CCc1nsc(CN2CC(=O)OC(=O)C2)n1	2245091178	MJUAWFRBDBAHEW-UHFFFAOYSA-N	241.272	-0.014	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)C[C@@H](C)O1	2247740348	JGGSLLHMIPAUCR-ILWJIGKKSA-N	239.080	-0.584	50	10	BBGE	
C[C@@H](Cc1ccccn1)NC(=O)C#CB(O)O	2247740857	QJYXMFMNDSGEGO-VIFPVBQESA-N	232.048	-0.856	50	10	BBGE	
CC1(C)CCC[C@]1(CO)NC(=O)C#CB(O)O	2247742815	URNDHGYFLJOCOC-LLVKDONJSA-N	239.080	-0.941	50	10	BBGE	
CN1CC[C@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247753651	IWCXTGOQPBUDGX-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247785385	KACWXAGYXVOCJU-OCAPTIKFSA-N	237.068	-0.711	50	10	BBGE	
Cc1cc(C(=O)N2CCCCN2)oc1B(O)O	2247789253	SJIVJZWZFBVTOQ-UHFFFAOYSA-N	238.052	-0.992	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247796488	AALQEZTZEUZREM-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
C=CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](C)COC	2247799123	ZVMVXAVNZVWETE-IVZWLZJFSA-N	241.096	-0.101	50	10	BBGE	
CC1(NC(=O)c2c[nH]nc2B(O)O)CCCC1	2247800768	SOHRUGUPZYRFQC-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850045	JBCSPULFPIUZKD-IONNQARKSA-N	236.080	-0.387	50	10	BBGE	
C[C@H]1NCCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247851572	GTDMNNYKNKYSGM-IMSYWVGJSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(B(O)O)c1	2247867374	DEMNHHQHXCJZHD-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cncc(B(O)O)c1	2247869345	PXNPMCSJIVFCPQ-GMSGAONNSA-N	234.064	-0.710	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)oc1C	2247870808	QGLGFNYGLRQYJH-ZETCQYMHSA-N	235.048	-0.638	50	10	BBGE	
O=C(NC[C@@H](CO)C1CCC1)C1(B(O)O)CC1	2247877483	BBOVGPNHUGLOBE-VIFPVBQESA-N	241.096	-0.482	50	10	BBGE	
O=C(N1CCCC[C@H]1CCO)C1(B(O)O)CC1	2247879562	UQWOBTYDXOYNID-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
Cc1cnc(C(=O)N2CCCC2)c(B(O)O)c1	2247891461	JIUUTJSKUOGCBZ-UHFFFAOYSA-N	234.064	-0.694	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247893914	AGFLVXZLBVVYSD-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CCO	2247895133	OYQJHQHTLVZUIH-KYZUINATSA-N	243.112	-0.141	50	10	BBGE	
O=C(NCc1ccccc1O)[C@H]1C[C@H]1B(O)O	2247895983	CYCKMENWUTVRDW-DTWKUNHWSA-N	235.048	-0.129	50	10	BBGE	
CN(Cc1nccn1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897765	WRMIBSIUBKMZFJ-SFYZADRCSA-N	237.068	-0.759	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247899355	MSMSFQFIFMDHLN-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CNC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904090	OSONMCHHWVHELB-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
CC(F)(F)C(=O)NCc1ccccc1B(O)O	2248416063	LJTXTUBCIBWFIU-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586338	ZIJIOLQASXMQNG-XLPZGREQSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)[C@H]1C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248587952	XACNHQRLESGAMG-BWZBUEFSSA-N	239.036	-0.909	50	10	BBGE	
CCn1cnc(C(=O)NCCC#CB(O)O)c1	2250000035	CXQYMOKYBJGEPK-UHFFFAOYSA-N	235.052	-0.962	50	10	BBGE	
O=C(Nc1ncco1)c1ccccc1B(O)O	2252746635	SIYBXYMRDYXEPS-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CCn1ccnc1NC(=O)c1ccc(B(O)O)o1	2255463054	DDJAYNBXLHMWRD-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1ccoc1B(O)O	2255466592	AWKNAIWVNKLPIX-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)cn2CCC)C1	2255497530	CKWWCMLDSFKPLX-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)n[nH]1	2255551049	RWKXLULAOHRSMS-CPCISQLKSA-N	249.079	-0.896	50	10	BBGE	
CC=CCCCNC(=O)c1ncc(B(O)O)cn1	2255692251	KNLOBQVWEYVCPB-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2ccoc2B(O)O)n1	2255716230	PEFKXZWQGIRYTK-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CC#CCCNC(=O)c1cc(C)ccc1B(O)O	2255736622	QSKLOXWLYGQLGT-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)ccc1O	2256016293	GJGLIELVJXSZPJ-UHFFFAOYSA-N	247.059	-0.786	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1cocc1B(O)O	2258127185	IILGWCLSJGNTQC-XHNCKOQMSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]2CC[C@@H]21	2258127829	LPOXMVJTKARPFI-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2258143599	SJIPIFXUAKWROB-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
C#CC1(NC(=O)c2ccc(C)c(B(O)O)c2)CC1	2258947164	DBKIYUKYRVUSBJ-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)C1CC(B(O)O)C1	2298369746	CYAGMYBYEUJIHY-ZTYHWHRISA-N	239.080	-0.610	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H]2C[C@H]21	2301341796	SVJOQZGURAWLOG-PRHODGIISA-N	228.060	-0.163	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H](F)C1	2301344991	AOCXRJPUEHFFBB-SNVBAGLBSA-N	234.039	-0.214	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2302189202	WCSWLLUKKJUBQQ-CIUDSAMLSA-N	239.080	-0.371	50	10	BBGE	
CC(C)N1CC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2302833962	RKVKKKRYPWMBKA-ZJUUUORDSA-N	240.112	-0.694	50	10	BBGE	
CN1CCO[C@H](CN2CC[C@@](C)(B(O)O)C2)C1	2303097146	MEVJIZFOGVRLRT-WDEREUQCSA-N	242.128	-0.744	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@@H]1F	2303834612	IXHZCNDOFOGWHW-RCOVLWMOSA-N	242.034	-0.305	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2312516109	LRTNMXFMGCSBSL-KEWAQLPFSA-N	249.314	-0.131	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H](O)C1CC1	2317162860	MGHWCGCIYRAWDO-GFCCVEGCSA-N	246.075	-0.579	50	10	BBGE	
NNC(=O)CCN(CCO)C1CCCC1	82470085	YNCYAWPYPNKGMO-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(N)CC1	82470847	YSXQIQXEPLUAFJ-VIFPVBQESA-N	214.313	-0.576	50	10	BBGE	
COC(=O)CS[C@@H](C)[C@@H](C)C(=O)NN	86313977	OUSAPWTZBGQJKV-RITPCOANSA-N	220.294	-0.093	50	10	BBGE	
C#CCNC(=O)NNC(=O)CSC	89594119	RSQFSXSYYUQWHP-UHFFFAOYSA-N	201.251	-0.687	50	10	BBGE	
CN(Cc1nccn1C)CC(C)(C)C(=O)NN	93727955	CANFDFSVDABXEH-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
NC(N)=NC1=N[C@@](O)(CCl)CS1	95934871	QIQDTVUNISKSQN-RXMQYKEDSA-N	208.674	-0.710	50	10	BBGE	
C[C@H](CCC(=O)NN)Oc1cnn(C)c1	161338241	INJHPHFMUNDSAK-SSDOTTSWSA-N	212.253	-0.043	50	10	BBGE	
CN(C)[C@H]1CCN(Cc2ccc(B(O)O)cc2)C1	203116921	QBIXKFPRNSGHRC-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
CC(C)(CC(N)=O)NS(=O)(=O)CCCl	227084659	MQZFSKAVLUSGDC-UHFFFAOYSA-N	242.728	-0.201	50	10	BBGE	
Cn1nnc(CN2CCN(CCCl)CC2)n1	236092757	NUHXCHWXDZXVJZ-UHFFFAOYSA-N	244.730	-0.434	50	10	BBGE	
O[C@H]1CN(c2nnc(CCl)o2)C[C@@H]1O	236620100	FTPNCYNLMWXKEA-WHFBIAKZSA-N	219.628	-0.650	50	10	BBGE	
COc1ccc(B(O)O)c2cnccc12	238430092	OPQFRSKZSORIMB-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
COC(=O)[C@H](Cl)CN1C(=O)CCC1=O	238799800	DDIZEMAXGJPOHN-RXMQYKEDSA-N	219.624	-0.084	50	10	BBGE	
C[C@H](N)c1ccc2c(c1B(O)O)OCO2	258153182	XDLDYEXAMOXROY-YFKPBYRVSA-N	209.010	-0.885	50	10	BBGE	
CCN1CCN([C@H](COC)C(=O)NN)C[C@H]1C	300021457	VBQIMSVUWGJZOY-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
O[C@@H]1[C@@H]([C@H](Cl)CCl)O[C@@H](O)[C@@H]1O	306421936	CGPKCWFLSGBABQ-AIECOIEWSA-N	217.048	-0.728	50	10	BBGE	
Nc1c(B(O)O)ccc2cc(O)sc12	307013472	NUQDXCZYUPFYCQ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN(CCCCCC(=O)NN)CCC(N)=O	382091376	ZGOJSKBJEBUULL-UHFFFAOYSA-N	230.312	-0.656	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(CN(C)C)C1	382340347	KBEOFPFFTLDLJP-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
N#Cc1cnn(Cc2ccc(C(=O)NN)cn2)c1	385666422	CZXLAAIYQYBKPM-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C1(C)C	393788255	ZTNWEYACIDAWPA-XHNCKOQMSA-N	229.324	-0.154	50	10	BBGE	
CCc1cccc(CCC(=O)O)c1B(O)O	396051828	FYWXXSAFBKCTAM-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)cc1F	396065593	ARRUVYIIRUTHPI-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
CCOc1ccc2nc(B(O)O)oc2c1	396100907	FKGJGMDMPVKMHQ-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
CCOC1(C)CN(Cc2ccc(B(O)O)cc2)C1	399969630	DUAJNMPPZBYRIN-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](C(F)F)CC1	686836714	IIDQONNWSCFDBG-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)Cc1cccc(B(O)O)c1	688226415	XGIHYOSAMYHJIU-GXFFZTMASA-N	249.119	-0.167	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H](CO)C1	688453102	SPVWAHNRECBDGD-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
CC(C)N(C[C@@H](C)O)[C@@H](C)CC(=O)NN	692171098	ANRYBAWZOPYNFQ-DTWKUNHWSA-N	217.313	-0.154	50	10	BBGE	
COC(C)(C)Cn1nc(C)c(B(O)O)c1C	694277262	RRBDWQKUOWPBTP-UHFFFAOYSA-N	226.085	-0.395	50	10	BBGE	
COC[C@@H]1CCCN1[C@@H](C)C(=O)NN	696548774	LUJLUGWDNCBRID-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](Cn1ccc(B(O)O)n1)c1ccccn1	703706709	CSHZCRPIQPUBNW-SECBINFHSA-N	231.064	-0.238	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1CCOCCCl	704651396	KTDMRLQVIGZQFF-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
CN(Cc1cnc2n1CCC2)C(=O)NN	719370234	JUDKAQNTCZHTTL-UHFFFAOYSA-N	209.253	-0.156	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H]1OC	724137486	ILHGRNZQCIJYRJ-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
[O][S@@+](=O)(Cl)c1cncc2[n+]1=NCN=2	725605893	OTVUPOPVJCLRIN-UHFFFAOYSA-N	219.633	-0.651	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)NC(C)C	746176215	FXIMCIOQZKIELL-UHFFFAOYSA-N	227.224	-0.270	50	10	BBGE	
CC(CCN(C)C)=NNC(=O)[C@@H]1COCCO1	767385343	MHENRPHJPKHIRD-JTQLQIEISA-N	243.307	-0.154	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	770711555	UASSHRGSNGNCPJ-SFYZADRCSA-N	245.279	-0.612	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)C1=CCC1	779969073	BTDZATSYKUFTNL-MRVPVSSYSA-N	226.232	-0.731	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1ccnnc1)N(C)C	823758043	AQFZIBMJGATQFB-SSDOTTSWSA-N	237.263	-0.812	50	10	BBGE	
O=C(C[C@H]1CCNC1=O)NN=c1cc[nH]cc1	879420897	RIXWFZODLJMCPL-MRVPVSSYSA-N	234.259	-0.527	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	908516348	AVVWPXIQEDDLLJ-DMJFMDCBSA-N	242.275	-0.360	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)(C)C	1464429674	MVSJFNNJBYJTGT-SSDOTTSWSA-N	244.295	-0.503	50	10	BBGE	
CC(=O)NC(C)(C)C(=O)NNc1ccncn1	1569313943	RWMMUIBXPMTPMN-UHFFFAOYSA-N	237.263	-0.166	50	10	BBGE	
NC1CN(C(=O)[C@H]2C[C@H]2Br)C1	1880434885	VWAVKHUXHLRYTD-NTSWFWBYSA-N	219.082	-0.061	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)C[C@@H](O)C1	1882572743	SAXOPRGDTSESQO-BWZBUEFSSA-N	209.673	-0.986	50	10	BBGE	
CN1C[C@@H](N(C)C[C@@H](O)CCl)CC1=O	1887643166	YRYWGTOMGJSNFE-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
O=C(NCC1(CO)COC1)[C@@H]1C[C@H]1Cl	1893461873	UDIZQHCIUYFVAR-RNFRBKRXSA-N	219.668	-0.261	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CC[C@H]2C)s1	1899938968	UMPNVMNJWXSMGT-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@@H](N)C1	1901368763	QYLPKEKZDAUFMW-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1[C@@H](C)CC(=O)NN	1905534700	CKFMVCLNDKXANX-QMMMGPOBSA-N	234.259	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C(C)C	1908897684	FPQLTHPRRNJWPX-DCAQKATOSA-N	240.351	-0.078	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cc(F)cc(B(O)O)c1	1908958907	ZCFMWZNJOTUCEU-WRWORJQWSA-N	240.039	-0.081	50	10	BBGE	
CCC[C@@H]1C[C@H]1COc1ncncc1B(O)O	1910813620	IYURVJQBSLPDBL-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
C[C@@H](CCC(=O)NN)N=S(C)(C)=O	1913514592	QFIINAJLPLRWNA-LURJTMIESA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914009869	BNLXLQWJKPMJTH-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(F)(F)C1	1917282404	VRBHXUNDVIVLKX-ZCFIWIBFSA-N	207.224	-0.048	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926422465	USOXDEFBMKLRBM-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1COC[C@H]1OCC1(C(=O)NN)CC1	1931266384	FAXAKFBKWNUSIY-JGVFFNPUSA-N	214.265	-0.192	50	10	BBGE	
C[C@@H](CN1CC[C@]2(CCO2)C1)C(=O)NN	1932812798	STXWFTAJONKYCT-WPRPVWTQSA-N	213.281	-0.523	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1936092506	UPTVJCNSEORBNH-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@@H]2C1	1936525514	GOVYEEUQVKPCJS-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
O[C@@H](CCl)CN1CC23COCC2(COC3)C1	1937761522	YHJUSERPJYTGPG-WHXUTIOJSA-N	247.722	-0.065	50	10	BBGE	
CN1CC(CN(C)CC2(C(=O)NN)CC2)C1	1938248514	HLBLHKPQULZEHU-UHFFFAOYSA-N	226.324	-0.750	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(CCF)CC1	1941091527	ZASCKQAXGORKKW-VHSXEESVSA-N	244.314	-0.801	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOC[C@H]1CC(=O)O	1941552366	LMDNMQZNBIENPG-SFYZADRCSA-N	245.279	-0.358	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@]12CCOC2	1941784611	OLLHMMZKIQACFN-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
CCO[C@@H]1CCCN(CCOCC(=O)NN)C1	1941784951	XYDVEFWRQBGBAN-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@]1(O)CCCN(CC2(C(=O)NN)CC2)CC1	1945882386	GZNJVPUBJRHVQN-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3OCC[C@@H]3C2)CC1	1945892130	KOPXKZQRAUKBQD-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C(F)(F)C2	1950058242	MHEBWBPXQOLYTP-RNJXMRFFSA-N	249.261	-0.279	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@@H](O)CCl)C1	1953952972	HRPJKXSKTHHABM-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
CNC1(C(=O)NCC(Cl)Cl)COC1	1954104722	VCRFBLHEWPRUMX-UHFFFAOYSA-N	227.091	-0.105	50	10	BBGE	
NC(=O)NNC(=O)CC1CCOCC1	1956764306	BAKPFMDEDFPNDW-UHFFFAOYSA-N	201.226	-0.497	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1957686906	QUVRYFSNVLJVBS-XDQCBXAXSA-N	209.293	-0.049	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1958102082	GQUNOTIKSQTWMM-UOWFLXDJSA-N	219.191	-0.864	50	10	BBGE	
NC(=O)NNC(=O)c1ccnn1C1CC1	1975051288	QRCCRORQTUVPTF-UHFFFAOYSA-N	209.209	-0.469	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CC(C)(C)C(=O)NN	1979616400	QHCAJMSQIHEXRI-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CCN(CCSC)c1ncc(B(O)O)cn1	1981409562	OLNCKBCYUPLCOM-UHFFFAOYSA-N	241.125	-0.654	50	10	BBGE	
CCSC1CN(c2ncccc2B(O)O)C1	1981421849	GHGMHNOVBIZSOM-UHFFFAOYSA-N	238.121	-0.297	50	10	BBGE	
CC[C@@H](C(F)F)N(C)[C@@H](COC)C(=O)NN	1984220724	VREZJADFQBZLPF-BQBZGAKWSA-N	239.266	-0.033	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCOC[C@@H]1F	1987226763	ZCFJPRNVBMEATB-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1C1(O)CC1	1987340779	NMJSZYQUZXAXAC-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1COCCOC1	1987698564	RQEFMMJVXWXVKZ-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
C[C@@]12CN(C(=O)C(=O)NN)CC[C@H]1C2(F)F	1987699026	UTJBUHNYYWUORL-SVGQVSJJSA-N	233.218	-0.520	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NCC=CB(O)O	1991339023	ULGNCZQMAGYNND-DTWKUNHWSA-N	227.069	-0.657	50	10	BBGE	
COC(=O)[C@]1(N)C[C@H](NC(=O)[C@H]2C[C@@H]2Cl)C1	1991681766	DAPLGCXLQNBLDJ-QFNGTQGLSA-N	246.694	-0.237	50	10	BBGE	
O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@@H]1O	1991691663	CSEUYCHIYJNPTJ-NGJRWZKOSA-N	247.678	-0.092	50	10	BBGE	
NC(=O)N1CC[C@H](NC(=O)/C=C/C(=O)Cl)C1	1991703753	KJTUQMZCTBXTNV-IPWVHJGXSA-N	245.666	-0.423	50	10	BBGE	
CCn1nnc(CNC[C@@H](Cl)C(=O)OC)n1	1992011455	FQCWWBFVPWGINU-ZCFIWIBFSA-N	247.686	-0.437	50	10	BBGE	
C=C(CN(C)Cc1cncn1CC)B(O)O	1992149209	VURGHWWZCGDBST-UHFFFAOYSA-N	223.085	-0.097	50	10	BBGE	
COCC(COC)COC(F)(F)C(=O)NN	1995203793	HUQQLRAWMZQAFZ-UHFFFAOYSA-N	242.222	-0.505	50	10	BBGE	
CC(C)(F)CC(=O)Nc1ncc(B(O)O)cn1	1996647419	MHEYVCVRDCTEGS-UHFFFAOYSA-N	241.031	-0.767	50	10	BBGE	
CON(C[C@@H]1CC[C@@H](C(=O)NN)O1)C1CCC1	2000669214	CEUWAOWTFLWBCZ-UWVGGRQHSA-N	243.307	-0.060	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]2(CO)CCC[C@H]12	2000937617	NAOQTUCRFLEAEQ-KWQFWETISA-N	241.291	-0.870	50	10	BBGE	
NNC(=O)CCN1CC2(CCOCC2)CC1=O	2003923948	AALRBSBZLAFTHL-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCCCN2C1=O	2004307769	WNEOVMZFOJJEBL-SSDOTTSWSA-N	240.263	-0.817	50	10	BBGE	
OB(O)c1ccc(CN2CCC23COC3)cc1	2004488947	OXCFPXKJNNSITH-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
CC1(C)[C@H]2CN(c3ccc(B(O)O)cn3)C[C@H]21	2004912088	OKFHJDPTSWLZIY-AOOOYVTPSA-N	232.092	-0.146	50	10	BBGE	
CC[C@H]1CCCCN1c1ncncc1B(O)O	2004919884	DYRHNUGFVUCMRI-VIFPVBQESA-N	235.096	-0.075	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOCC[C@@H]1C(=O)O	2008003799	SUEBZNHVDLKCQP-YUMQZZPRSA-N	245.279	-0.358	50	10	BBGE	
C[C@@H](N(C)c1ncc(B(O)O)cn1)C(C)(F)F	2009078216	LBBDXJQVCPZMIF-ZCFIWIBFSA-N	245.038	-0.364	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@H]3CC[C@H](C2)O3)n1	2010676941	GIVMOOPBFZOWRQ-OWUUHHOZSA-N	236.080	-0.480	50	10	BBGE	
C[C@@H](O)C1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010835105	KRKGXPAQAOWSHF-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
Cc1nc(OCC2[C@@H](C)[C@@H]2C)ncc1B(O)O	2011599737	WPMPIOWCCYAWTN-BQBZGAKWSA-N	236.080	-0.254	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1OCCOC1(C)C	2013866524	WNLASZGXSYERHN-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C2(O)CC2)C1	2013924402	BZTXXVXTFGDWHJ-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN(C)C)[C@@H](C(=O)O)C1	2014385549	QHRGQHXGQMEOIU-JGVFFNPUSA-N	245.279	-0.263	50	10	BBGE	
C[C@H](c1ccc(O)cc1)N(C)C(=O)C(=O)NN	2017507321	HCCICCZRFDYKKO-SSDOTTSWSA-N	237.259	-0.099	50	10	BBGE	
CC[C@H]1C[C@H](N(C)CC(=O)NNC(C)=O)CO1	2019213105	URADPHRVXIGNFI-UWVGGRQHSA-N	243.307	-0.347	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc([N+](=O)[O-])[nH]1	2020060008	SHBRQHNTSMLXKH-UHFFFAOYSA-N	238.996	-0.779	50	10	BBGE	
O=C(C[C@H]1C[C@@H]1C(F)(F)F)NCC#CB(O)O	2021116458	UZQFDPDGGIMICD-RQJHMYQMSA-N	248.997	-0.294	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ncc(B(O)O)c(C)n1)C2	2052560263	VKVPVKDVHWXWBA-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COCC[C@H]32)c(B(O)O)c1	2073043284	NFSAXFVIHIHAMG-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
COCOc1cc(B(O)O)c(F)cc1F	2080389762	IKDHGEHFLXFLNR-UHFFFAOYSA-N	217.964	-0.373	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(CN2CCNCC2)C1	2211710396	QYOPSVJJYAIZAK-LLVKDONJSA-N	242.754	-0.046	50	10	BBGE	
C[C@H](CC#N)N(C)c1ncccc1B(O)O	2212606660	XWSZBQPIDVFNNY-MRVPVSSYSA-N	219.053	-0.500	50	10	BBGE	
N[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2212610226	FIFNVQGZJFWTSQ-IUCAKERBSA-N	221.069	-0.947	50	10	BBGE	
C#CCN(c1ncc(B(O)O)cn1)C(C)C	2212611711	CCTUGNQVTJNSPL-UHFFFAOYSA-N	219.053	-0.996	50	10	BBGE	
CON(c1cc(B(O)O)ccn1)C1CCC1	2212612339	KBWHJHXUWSYUOG-UHFFFAOYSA-N	222.053	-0.318	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)c1cccn(C)c1=O	2213164758	GERZSZSXEWYAPE-MRVPVSSYSA-N	238.291	-0.410	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1cccc(B(O)O)c1	2214605463	LOAGKLIBXXPRDA-SKDRFNHKSA-N	235.092	-0.679	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1C=CCC1	2214655864	INDBXRLFXNNTSD-ZETCQYMHSA-N	233.036	-0.939	50	10	BBGE	
COCCC1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215776840	PCNUMMRBRGNCMV-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
N[C@@H]1CC[C@H](COc2ccc(B(O)O)cn2)C1	2217167312	MZZLFHVWJXZABZ-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H](O)CC2)nc1	2217176936	CEBHACNFHFQYFG-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CCC[C@H]32)c1F	2217182616	FPWMPLZBDMHNTO-IONNQARKSA-N	236.055	-0.111	50	10	BBGE	
CNC[C@@H](C)CNc1nccc(B(O)O)c1F	2217183264	GOWXIDLPVUBUCR-SSDOTTSWSA-N	241.075	-0.832	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23COC[C@@H]2C3)c1F	2217184511	PITJVGKIQBVZPX-WKEGUHRASA-N	238.027	-0.899	50	10	BBGE	
C[C@H]1C[C@@H]1CCn1cnc2c(B(O)O)ncnc21	2220957257	FRJAWFGFQGFYMM-YUMQZZPRSA-N	246.079	-0.448	50	10	BBGE	
N#Cc1nccn1CC1(C(=O)NN)CCOCC1	2223136773	JZTJNXCLUCFAKM-UHFFFAOYSA-N	249.274	-0.459	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC3(CCC3)[C@H]2O)c1	2223627985	OPPRETULXDAZBQ-KOLCDFICSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CC[C@H](C2)N3)c1	2223651757	DTFIXQIXLUMMKR-JGPRNRPPSA-N	247.107	-0.544	50	10	BBGE	
Cc1cnc(N2CCN[C@@H](C)[C@@H]2C)cc1B(O)O	2223652282	HRAPVTRINIUZPV-UWVGGRQHSA-N	249.123	-0.744	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCC[C@H]2CNC3)c1	2223667397	PPYIKIIOSRSXST-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
OC[C@H]1CCN(c2ncccc2B(O)O)C12CC2	2223670379	WZRJMRJICDVPCI-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]2c2ncon2)nc1	2223673242	FCUYGPSJZOFTKJ-MRVPVSSYSA-N	246.035	-0.904	50	10	BBGE	
CN1CC2(CN(C(=O)F)C2)OCC1=O	2242226247	VSCBSUYKLQIWTO-UHFFFAOYSA-N	202.185	-0.381	50	10	BBGE	
COC(=O)N[C@H](C)CNS(=O)(=O)CCl	2242291454	IKXDBLVHFRZHBD-RXMQYKEDSA-N	244.700	-0.153	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C1CC2(CC2)C1	2243356987	PPRFXMLPDHUOHF-QMMMGPOBSA-N	221.065	-0.303	50	10	BBGE	
CC[C@H](O)[C@@H](CC)NC(=O)C1(B(O)O)CC1	2243363234	CULSKYXUCSVICN-SFYZADRCSA-N	229.085	-0.341	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C2(B(O)O)CC2)CO1	2243363515	HWIRLSBJNBPFCZ-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CCN(CCCCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243391213	HUYFLXOYDSEJCI-IUCAKERBSA-N	229.085	-0.530	50	10	BBGE	
CC(C)(C)CNC(=O)c1ccc(B(O)O)o1	2243400764	HPRLIYFJFHCVRS-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CC(C)(N)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243413626	KKGQNJKDWWGGGR-OCAPTIKFSA-N	228.101	-0.517	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1C=CCC1)B(O)O	2243420595	VYLQRDOWCVKJLG-VIFPVBQESA-N	245.109	-0.560	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427052	PNYWDPMONCTWDT-CIUDSAMLSA-N	229.085	-0.770	50	10	BBGE	
NNC(=O)COCCOC1(C2CC2)COC1	2245001198	IXEZVABCUSHAAB-UHFFFAOYSA-N	230.264	-0.812	50	10	BBGE	
C[C@H](F)CCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912472	AFHLZEOZKFNJQE-LURJTMIESA-N	246.478	-0.003	50	10	BBGE	
COC[C@H](OC[C@]12C[C@](C)(CO1)C2)C(=O)NN	2247362071	HELXZRQBTCSSLI-INTQDDNPSA-N	244.291	-0.423	50	10	BBGE	
C=CCCCNC(=O)c1ccncc1B(O)O	2247723712	VWLAMQMVOARPBZ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1COC2(CCC2)C1	2247737028	BFYFTVABALHQKE-SECBINFHSA-N	237.064	-0.828	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCOC12CCC2	2247738151	NNLFVJZLJBPMGZ-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
C[C@@H](CNC(=O)c1ccc(B(O)O)o1)C(F)F	2247741209	WJQDMLRLFWATLN-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccsc2B(O)O)C1	2247745680	NDTJZUPLUPHFSV-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@H](C)F	2247752841	WTQSRGVCJCRNJZ-ZETCQYMHSA-N	239.055	-0.237	50	10	BBGE	
O=C(N[C@@]1(CF)CCNC1)C1(B(O)O)CCC1	2247755826	QYJDOFMVDNJWQM-SECBINFHSA-N	244.075	-0.799	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cncc(B(O)O)c1	2247772297	SSWIBWCWUBQJKC-MRVPVSSYSA-N	234.064	-0.592	50	10	BBGE	
CC(C)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247798123	QIJYZPIGNRTTRK-GUBZILKMSA-N	241.096	-0.267	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2247798347	SODNFFKJXPNXKR-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CC(F)(F)CCNC(=O)c1cc(B(O)O)c[nH]1	2247850893	ULSPALBGBRMAPS-UHFFFAOYSA-N	246.022	-0.530	50	10	BBGE	
C[C@H](CNC(=O)c1ccoc1B(O)O)C(F)F	2247868771	ICJCPBAIEXPLBK-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)oc1C	2247870713	OQKBGYFWEUCNKQ-QMMMGPOBSA-N	235.048	-0.426	50	10	BBGE	
Cc1ccc(C(=O)NC2(C)CC2)c(B(O)O)c1	2247874681	OWSHRMNTAWPZGU-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CC(C)C[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2247880256	YNJKJEIWOVKAIL-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)O2)[C@H]1C[C@H]1B(O)O	2247886476	BWFPEKAENOSSKN-CVPUBMOQSA-N	239.080	-0.325	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247887652	QJQUAUHNOFBPJR-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1CC(O)C2	2247894674	JNYCOZASJJRVPX-YIKMNZTOSA-N	239.080	-0.636	50	10	BBGE	
CC[C@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894881	LUOSHILDSISTOR-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247900128	UFAFTTDMFHIODS-CVPUBMOQSA-N	238.096	-0.813	50	10	BBGE	
O=C(NCCc1cocn1)[C@H]1C[C@H](B(O)O)C1	2247900324	VWZULKBALWQTRR-ZKCHVHJHSA-N	238.052	-0.414	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CC[C@@H]21	2249416375	QSVOMJVEPDGSAC-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(CC2)CO1	2249431839	WYJFVMSFFQGARA-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
CCCN(C[C@@H](C)O)c1ccc(B(O)O)cn1	2250548078	KUIRBFHOZOJLPS-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Oc1cc(B(O)O)ccn1	2251025304	UEPFVHAFUMJTDV-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@H]2C1	2255444781	PEGAELGYAYHKCH-IUCAKERBSA-N	249.075	-0.250	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cc(B(O)O)oc1C	2255457702	HTTHFWCPGMBXEX-UHFFFAOYSA-N	249.075	-0.200	50	10	BBGE	
CCCC1CN(C(=O)c2ncccc2B(O)O)C1	2255521063	RISVVIKOROEEAH-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(F)c(B(O)O)c1	2255723504	DTQHAOCOLMRSPI-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C=CCCN(C)C(=O)c1ncc(C)cc1B(O)O	2255789915	OYCYUTSCVJHYJO-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
O=C(N=c1cco[nH]1)Nc1cccc(B(O)O)c1	2255916675	HSGAATOBIZPZLT-UHFFFAOYSA-N	247.019	-0.580	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)ccc2O)C1	2256017903	VMUPVQPVSFNFDU-UHFFFAOYSA-N	249.075	-0.400	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257492173	SFRNKBGYUTUHMA-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
C=CC1CN(C(=O)c2cccc(F)c2B(O)O)C1	2261383902	AUXFGMVHWIRCID-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
C#CCOC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2263801246	MREGPQCFIVNLAA-SNVBAGLBSA-N	249.075	-0.513	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](O)[C@H]1C2	2297059104	PDGYZCUGCZBQQV-XVMARJQXSA-N	225.697	-0.032	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)C1(B(O)O)CC1	2298367980	GGWQQSMQPVLEEO-RBXMUDONSA-N	238.096	-0.765	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2298370029	MBCMVRCVSXBZLK-JBDRJPRFSA-N	241.096	-0.628	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@H](O)CC[C@H]2C1	2298375995	AMJMUBAPYZHTRA-VAPHQMJDSA-N	239.080	-0.921	50	10	BBGE	
O=C(O)[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298462818	DGLGGSIOJQUKEM-KUZPWIFLSA-N	241.052	-0.781	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2299935630	YFHZSMNWUMODJI-WYOJIJJFSA-N	241.096	-0.389	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303837254	XNQAVBUQEUDJIC-MUWHJKNJSA-N	240.043	-0.653	50	10	BBGE	
C/C(=N/NC(=O)C(N)=O)c1cc(F)ccc1O	6675360	ZCAWUMGYCGNRNJ-ACAGNQJTSA-N	239.206	-0.143	50	10	BBGE	
CCCN(CCN(C)C)CC(=O)NN	70073022	RRYVHAORKSZULO-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(=O)CC1	86313501	WVPGZASSOWMSAI-HTQZYQBOSA-N	213.281	-0.334	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=S)CCCO1	87231537	JIYZUWYXROTFCV-ZETCQYMHSA-N	203.267	-0.580	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)CCl	130229593	IAGDSXMWCQQUCP-ZCFIWIBFSA-N	220.656	-0.801	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cnc(C#N)c1C#N	156314114	JPKNOIWSUDWFGV-VIFPVBQESA-N	232.247	-0.187	50	10	BBGE	
CC[C@H](CO)N/C=C(/C#N)C(=O)NCCOC	216554112	BQOYIQBGOYBNRU-UJICNMFASA-N	241.291	-0.483	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251589	QUUJRYIKEALMPD-CHWFTXMASA-N	242.367	-0.117	50	10	BBGE	
NNC(=O)CCCN(CCO)CC(F)F	231592996	NAMPETDHTXFHHA-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCC#N)CC(C)C	232419594	AYZKTYCWWLEZCN-JTQLQIEISA-N	242.323	-0.137	50	10	BBGE	
COc1cnn(C[C@@H]2CC[C@H](C(=O)NN)O2)c1	306074953	YQMIBCUUFNWPHY-IONNQARKSA-N	240.263	-0.571	50	10	BBGE	
OB(O)c1cc(F)cc(O)c1Br	306329545	NKBDHCPJVJPJEY-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
NC(=O)NN=Cc1ncnc2nc[nH]c12	308690773	LDEPDGIKDRBFEV-UHFFFAOYSA-N	205.181	-0.645	50	10	BBGE	
COCCOCC(=O)N[C@@H]1COC[C@@H]1Cl	323416624	XGEFOOUCPLHHRY-JGVFFNPUSA-N	237.683	-0.228	50	10	BBGE	
CN(C)C1CN(CC(C)(C)C(=O)NN)C1	382344458	MIYPQWWBGFEOIH-UHFFFAOYSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@@H]2COC[C@H]21)C(=O)NN	384791974	XLICKVJCYSQNAR-OPRDCNLKSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C[C@@H](C)C(=O)NN	385765130	YCRMDCRZSWTZIW-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CCc1cccc(B(O)O)c1CCC(=O)O	396059317	PYLSATHHDNSBNH-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
Nc1cc2cc(B(O)O)sc2cc1C(=O)O	396251284	YANKKGIVUBAJHV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H]1CC[C@H](N=C=O)CN1S(=O)(=O)N(C)C	397118555	YTOYCCKVZTXIHI-IUCAKERBSA-N	247.320	-0.019	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCOC1	398905829	FXIUBYGWTFHZCT-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CCC(=O)Nc1ccc(B(O)O)cc1F	404963487	FSDDVGYZBFPTTK-UHFFFAOYSA-N	211.001	-0.146	50	10	BBGE	
CC[S@](=O)N[C@@H](C)c1cccc(B(O)O)c1	405043877	QNCIZEYQOJGLIE-PWJLMRLQSA-N	241.121	-0.299	50	10	BBGE	
CC(C)NC(=O)Nc1ccnc(B(O)O)c1	405129154	FCWPRNXWBFNEBJ-UHFFFAOYSA-N	223.041	-0.709	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCC1	585065315	CGLIPKBWVJPWOD-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
Cn1c(=O)ccn(C[C@H](Cl)C#N)c1=O	606283557	OJVZRLFMARPFAB-ZCFIWIBFSA-N	213.624	-0.322	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@]12CCC[C@@H]1C2	693137558	MEBMWBDKBYLWFH-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
CN(C[C@@]12CCC[C@@H]1C2)C(=O)C(=O)NN	693537969	WFVRTCKZQDUOLF-XCBNKYQSSA-N	211.265	-0.375	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H](CO)C1	696778741	QFMDIXVZERUYHQ-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696780571	SXUHAHOQTRQKHR-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
NC(=S)NNC(=O)c1ccnc(F)c1F	700859911	XAQKLYRINATRRO-UHFFFAOYSA-N	232.215	-0.162	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCC12CC2	706247914	HOHHXVAXYMROEP-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
O=C(NCB(O)O)c1ccc(F)cc1[N+](=O)[O-]	706437377	CDUHSZPXJWUTPQ-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
ClCCN1CCN(CCn2cnnn2)CC1	712538461	QPHQAJHKVVPUHP-UHFFFAOYSA-N	244.730	-0.471	50	10	BBGE	
Cl[C@H]1CCOC[C@H]1NCCn1cnnn1	712594635	RXMPEUKQHOXEBT-JGVFFNPUSA-N	231.687	-0.341	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CCCC(=O)NN	724144178	ZPPIWJNAZYPWDJ-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1C=C(/C=N/NC(=O)CO)S[N]1	725545881	IHQXPIIOHHFBSW-DKJYPSCKSA-N	200.243	-0.381	50	10	BBGE	
CN(CC1=NCC=N1)S(=O)(=O)CCl	725595215	VAXRWWOXNSVKKN-UHFFFAOYSA-N	223.685	-0.073	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCO2)CCCO1	755171269	ZWUZYICFKGSGQK-KCJUWKMLSA-N	242.275	-0.118	50	10	BBGE	
Cc1cc(O)nc(C(=O)NN(C)C(N)=O)c1	815900976	ZCVFYSDASUTBLL-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
COCCN(C)NC(=O)Cn1cncc1C	861657048	KNLTURAERDFSNA-UHFFFAOYSA-N	226.280	-0.199	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=C2CCCOC2)N1	863148438	BWXXBJKKHNNCPU-QMMMGPOBSA-N	225.248	-0.452	50	10	BBGE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(C)=O	905064109	KKFISCJQGSBMPJ-JGVFFNPUSA-N	228.248	-0.257	50	10	BBGE	
O=C(CC1CC1)NNC(=O)C[C@H]1COC(=O)C1	1159628476	ZNBYVYWVPQRQHO-MRVPVSSYSA-N	240.259	-0.113	50	10	BBGE	
BrC1CC(N=c2nn[nH][nH]2)C1	1880295899	AENDHBILTPAONC-UHFFFAOYSA-N	218.058	-0.041	50	10	BBGE	
NS(=O)(=O)NCC1CC(Br)C1	1880435089	YQXDQFKPLCEDAW-UHFFFAOYSA-N	243.126	-0.047	50	10	BBGE	
OC[C@]12C[C@@H]1CN(C[C@@H](O)CCl)C2	1883942745	KVUJUNARAUNDFZ-HRDYMLBCSA-N	205.685	-0.100	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)NN(C)C)C(=O)O	1888138335	PQURJYMCZFOHJN-CRCLSJGQSA-N	207.205	-0.427	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(F)F	1888599465	XZSYDTGXAWHGPD-UHFFFAOYSA-N	216.209	-0.436	50	10	BBGE	
COCCNCCNC(=O)[C@@H]1C[C@@H]1Cl	1893454500	XHRHJABOPHRTHO-SFYZADRCSA-N	220.700	-0.034	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)/C=C/C(=O)Cl	1893497849	LYIMDDJRYYTGCV-HRJJCQLASA-N	218.640	-0.312	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1895243620	SCGOEQQHJPVELU-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
O=C1[C@@H](F)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	1901656900	LQPGEHIUGAXMMC-XVMARJQXSA-N	229.016	-0.664	50	10	BBGE	
C[C@]12C[C@@H]1CN(Cc1nc(B(O)O)cs1)C2	1902643390	YLNKXSBWQVODNQ-GMSGAONNSA-N	238.121	-0.335	50	10	BBGE	
C[C@@H](O)CN(C(=O)C(=O)NN)C1CCCC1	1902651225	JPVCSXZAFSREHD-SSDOTTSWSA-N	229.280	-0.872	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]2C1=O)C(=O)NN	1902728895	IFJVMYSUDQHBKI-SOCHQFKDSA-N	225.292	-0.129	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@H](O)[C@@H]1CF	1905009688	ORBQTZDXROCWRK-VMHSAVOQSA-N	225.647	-0.483	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@@H]3C[C@@H]32)n1	1907076483	FURPZWVEEWTOHG-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911276163	FWIXOAQKCSBCDS-DAWVFNFOSA-N	239.319	-0.827	50	10	BBGE	
NNC(=O)CCN1CC[C@H](O)C12CCC2	1914396915	STYKIXMOBZJFQQ-QMMMGPOBSA-N	213.281	-0.644	50	10	BBGE	
CN(CCCCC(=O)NN)C1CC(O)C1	1914600991	HCVYGOJAABELOV-UHFFFAOYSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)c1nc(CN2CC(F)C2)cs1	1917251330	ATAGVROTHSHQOU-UHFFFAOYSA-N	230.268	-0.100	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CC[C@@H]21	1924385552	MJNLEMSGIWRHCL-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H]1CCCN(CCC(=O)NN)S1(=O)=O	1927996456	CZKKXQQVBCKMJM-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
O=C(NNCCO)c1cccc(Cl)n1	1929833686	OBWYLGCWEITUFB-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
O=S1(=O)CC[C@@H]1Cn1nnnc1CCl	1930860779	XHEBBTUNNZEPGC-RXMQYKEDSA-N	236.684	-0.401	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CC1(C(=O)NN)CC1	1931259606	VMKYPUWNIKPOIH-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1936027175	UULIRMRFBIGVOC-YIZRAAEISA-N	233.287	-0.450	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C1CSC1	1936306929	SQSSGHDQINDGNX-BDAKNGLRSA-N	245.348	-0.429	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@]21C	1940009633	GZJVPWHHUWBLHA-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](O)C1CCN(CCOCC(=O)NN)CC1	1941775488	PCHGWYGGTAUFNT-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)CC(=O)CCl	1952624859	CTXMSKZXPQDUDW-ZCFIWIBFSA-N	228.697	-0.020	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC(Cl)C1	1954057301	ORJTWLNAJWPXIC-UHFFFAOYSA-N	228.657	-0.490	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](CO)[C@H](C)O	1954185414	DVNAFQVFNFMAHA-DSYKOEDSSA-N	209.673	-0.281	50	10	BBGE	
CO[C@@]1(CN(C)C(=O)NN)CCCOC1	1957520041	XLYBEXMFCNDYKF-SECBINFHSA-N	217.269	-0.303	50	10	BBGE	
CC[C@@H](O)CN(C)[C@H](C)CCC(=O)NN	1959517494	SHWWPJQTAKUAPI-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
C[S@@](=O)(=NCCC(=O)NN)N1CCCC1	1960619163	VWWPXXHJQAFDLO-OAHLLOKOSA-N	234.325	-0.525	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1975527876	VOFADMVAXAJNNX-WPRPVWTQSA-N	233.287	-0.449	50	10	BBGE	
C[C@@H](CN1CC(F)(F)C[C@H]1CO)C(=O)NN	1976198837	XSGBWCRRCXXLTA-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C)(N(C)C)C1	1976832253	FIIXBTNMGXELPV-SECBINFHSA-N	228.340	-0.363	50	10	BBGE	
COCCSCc1c(C(=O)NN)cnn1C	1980591698	AYTWJVQKQYPJPC-UHFFFAOYSA-N	244.320	-0.097	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](O)CC12CCC2	1980723649	VGQGHMWYDGANFZ-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([S@@](C)=O)C1	1981209672	YFFSTOINJVPIQI-XXFAHNHDSA-N	247.364	-0.546	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1ncncc1B(O)O	1981414671	VAYHMWFEVGHNPN-SFYZADRCSA-N	221.069	-0.609	50	10	BBGE	
CC[C@H](C)Oc1ncc(B(O)O)c(OC)n1	1981420393	KLDMSOKZLGASBO-LURJTMIESA-N	226.041	-0.658	50	10	BBGE	
CN(CC(C)(F)F)c1ccncc1B(O)O	1981421568	BMVORPMJMQRCLJ-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
Cc1nc(OC2CC(C)C2)ncc1B(O)O	1981423478	DVNTVFMNRHXCRK-UHFFFAOYSA-N	222.053	-0.358	50	10	BBGE	
Cc1ncc(B(O)O)c(S[C@@H]2CCOC2)n1	1981450941	OUFIYINXBIEUKR-SSDOTTSWSA-N	240.093	-0.654	50	10	BBGE	
CC(C)(C)OCn1cc(B(O)O)ccc1=O	1984101012	GACRKSSNIAYCRY-UHFFFAOYSA-N	225.053	-0.699	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1csc(C(=O)NN)n1	1985740482	HNFZQCZUEBGMRB-VDTYLAMSSA-N	242.304	-0.688	50	10	BBGE	
CC(C)(COCCn1cncn1)C(=O)NN	1986445732	OCTISTRALVLCFA-UHFFFAOYSA-N	227.268	-0.689	50	10	BBGE	
NC(=S)NNC(=O)c1cccn2nncc12	1986954082	CGEYJPCQQKUBMY-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2cncn2c1	1987609055	FUVKKRYFLSFXAC-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1(CCO)CC1	1988601916	UKROFKJMOVENBR-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C3C[C@@H]4C2[C@@H]4C3)n1	1989170940	IWSHZYFWRULOOW-VYGPFJBRSA-N	218.065	-0.535	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC[C@H](C1)O2	1990775086	QYBKUPKGMFPUMS-DTORHVGOSA-N	227.264	-0.983	50	10	BBGE	
COC[C@@H](C)CNC(=O)NCC=CB(O)O	1991333913	UZMMQJJITWGKOA-QMMMGPOBSA-N	230.073	-0.864	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2CCC=C2B(O)O)C[C@@H]1F	1991334484	WJKKYMZPBPVXLV-NRPADANISA-N	227.044	-0.049	50	10	BBGE	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NCC#CB(O)O	1992154447	YNQYERIVFPPWTJ-KXUCPTDWSA-N	221.065	-0.446	50	10	BBGE	
CC1(C)C(C(=O)NCC#CB(O)O)C1(C)C	1992168232	XEBOLSPENWNFAQ-UHFFFAOYSA-N	223.081	-0.200	50	10	BBGE	
N#CC1(O)CCN(C[C@@]23CNC[C@H]2C3)CC1	1993203259	VXUDZZPXAJEMHL-GHMZBOCLSA-N	221.304	-0.054	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]1(C)CCO	1994707191	MUQAVOPCRIEWBW-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
C=C(CN(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41)B(O)O	1995623265	GTMGXJYIJVELSF-WWJWFVIOSA-N	219.093	-0.003	50	10	BBGE	
COC[C@@]1(C)COCCN1[C@H](C)CC(=O)NN	2002850398	KXJRRDJZGIEGBG-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCCNC1	2003353155	GMQLWPOICJATFH-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](CN(C)C)C1	2003922204	IIVXIRZEMNQFMC-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CCN(CCC(=O)NN)[C@H]1CCCCNC1=O	2004296835	AMTVFOQIOMTIPB-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CCN1CCCN2CCC[C@H]2C1=O	2004306983	OGVPBJPHLGABKL-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](C2CC2)C1	2004934518	GEJNIKZAFXFTIV-JTQLQIEISA-N	232.092	-0.002	50	10	BBGE	
CO[C@H](COc1ccncc1B(O)O)C(C)C	2004950023	ACFXXYQXLFJGQS-LLVKDONJSA-N	239.080	-0.189	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@]1(C)COCCO1	2005978259	RVBOADVPXSUDLW-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
Cc1cc(=O)n(CCC(F)(F)C(=O)NN)cn1	2008867742	PUJWSSUZZKNMQJ-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1[C@H]2COC[C@H]21	2015128715	SOEDOUOUQNDXTH-ILWJIGKKSA-N	234.060	-0.362	50	10	BBGE	
Cc1ccnnc1CN(C)[C@H](C)CC(=O)NN	2017628347	UZIDKJBDODSGBJ-SECBINFHSA-N	237.307	-0.015	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCOC(C)(C)C1	2019209972	GCORSWDNFZXILZ-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CC[C@@H](C)O1	2019521961	AMIIGLLOGNUPEB-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
CC(C)n1nccc1C(=O)NCC#CB(O)O	2021157513	NMVRCUFHDSKUHV-UHFFFAOYSA-N	235.052	-0.791	50	10	BBGE	
CN(Cc1ccncc1)c1ccc(B(O)O)cn1	2052473758	XDJWJJAXSYPCJV-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
Cc1nc(N2CCCC3(CC3)C2)ncc1B(O)O	2052552311	QQGMZFQGXMZIFZ-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@H]2C3)n1	2052624570	GXDZDDHPGQKHPI-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
CCOc1cc(C#N)c(F)c(B(O)O)c1	2060170590	LRUDHLQWTDIVBW-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1cn(C)nc1C(=O)N[C@H]1CCC=C1B(O)O	2076079570	RCIBFFRRTSRSCN-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCc2nc[nH]c2C1	2076082857	YGJQNOWVUSNVJH-MRVPVSSYSA-N	249.079	-0.801	50	10	BBGE	
CNCCSc1ncccc1B(O)O	2210064289	GTMWIXBBVCRTJC-UHFFFAOYSA-N	212.083	-0.927	50	10	BBGE	
CCN(Cc1ccc(B(O)O)s1)C1COC1	2211072666	PBPOWVMXAFDTNB-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H](F)[C@H](F)C1	2211136531	SSOGXUNYUKVDRO-KNVOCYPGSA-N	248.063	-0.685	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H](O)[C@H]1CC2	2212097215	JHKIRGMETCIMQR-BBBLOLIVSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](CCO)CNc1cc(B(O)O)ccn1	2212602417	DCKGJOXXHUSYTL-QMMMGPOBSA-N	224.069	-0.808	50	10	BBGE	
C[C@H](CN(C)C)Oc1ncccc1B(O)O	2212603873	KGSOKCGFGVSCSM-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
COCC(COC)OC[C@@H]1CC[C@@H]1C(=O)NN	2215776565	NNBQWXBJOVQYNS-WPRPVWTQSA-N	246.307	-0.320	50	10	BBGE	
CC(C)[C@H](OC[C@]1(C)COCCO1)C(=O)NN	2216072973	KNLAVVBSPUMTIV-ONGXEEELSA-N	246.307	-0.177	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C23CCC3)CCC1	2216534590	PJFLKQMYRBSSDD-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
N[C@H](CNc1ncccc1B(O)O)C1CCC1	2217171305	AGQBWAPVXNVCTA-SNVBAGLBSA-N	235.096	-0.699	50	10	BBGE	
CCC[C@](C)(O)CNc1ncccc1B(O)O	2217175709	MLBHANYLXZNGSS-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
CC[C@H](CNc1cc(B(O)O)c(C)cn1)OC	2217183712	NJFGTTJEDRMFOO-SECBINFHSA-N	238.096	-0.093	50	10	BBGE	
C[C@H]1CNC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217186734	OJRDUCMSRDVWEV-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNc1ccc(B(O)O)cn1	2217196476	GGDGZQHWPUVJCY-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2ncccc2B(O)O)CN1	2217200820	MFPSFUAHRMIRLQ-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
CCCC1(O)CN(Cc2cccc(B(O)O)c2)C1	2220063422	RRNRDYPPJXAZRF-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
C[C@@H]1NCCN(Cc2cccc(B(O)O)c2)[C@@H]1C	2220065447	ZLZSMXYYUVXKAL-WDEREUQCSA-N	248.135	-0.451	50	10	BBGE	
C[C@@H]1CNC[C@@H](CNc2cc(B(O)O)ccn2)C1	2223626927	KJMBLRSIZIIZJC-UWVGGRQHSA-N	249.123	-0.581	50	10	BBGE	
C#CCC[C@@H](CN)Oc1cc(B(O)O)c(C)cn1	2223651739	DQHZDYRIVBUQQL-JTQLQIEISA-N	248.091	-0.811	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1Nc1ccc(B(O)O)cn1	2223669788	OLNYXBYRZQGNLT-QWRGUYRKSA-N	249.123	-0.167	50	10	BBGE	
CC1(C)CNCCN(c2ccc(B(O)O)cn2)C1	2223671614	OPLLSYSPKQFRSJ-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
O=C(NCC#CB(O)O)C1(Cl)CCC1	2241570206	GESLVTFYOWPEAG-UHFFFAOYSA-N	215.445	-0.721	50	10	BBGE	
C=CC[C@@](C)(NC(=O)C#CB(O)O)C(F)F	2243356764	MOUHZNITHUCJCI-SECBINFHSA-N	231.007	-0.282	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CO)C1(B(O)O)CCC1	2243365407	MCZOSYUOXJPXSX-HTQZYQBOSA-N	227.069	-0.872	50	10	BBGE	
C[C@@](CN)(NC(=O)C1(B(O)O)CC1)C1CC1	2243365554	OGERAOPXVQTBJM-VIFPVBQESA-N	226.085	-0.763	50	10	BBGE	
CON(C)C(=O)c1ccc(B(O)O)c(C)c1	2243366657	GPLIPLVCHDQRGV-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
CCN(C[C@@H](C)O)C(=O)C1CC(B(O)O)C1	2243396540	NQUBHKCOJFGNNL-AFPNSQJFSA-N	229.085	-0.531	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2243397511	CMXSCWZJHZZMSL-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCCC1	2243401114	MJJHBSRMSXBGKB-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@H]1C[C@@H]1F	2243403713	BJVOBHSOSUUZDR-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C(F)F	2243678713	MVPMLPOXZOGXAC-UHFFFAOYSA-N	228.991	-0.752	50	10	BBGE	
C=CC(=O)N(C)Cc1sc(B(O)O)cc1C	2243685134	NSCKROHMFFWCMF-UHFFFAOYSA-N	239.105	-0.119	50	10	BBGE	
O=C(NOCC1CC1)c1cc(B(O)O)co1	2244211111	HQZVAGIGYSGWGT-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2244219313	JFKSYVFSOUZKLZ-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ccc(B(O)O)o1	2247740739	OTBITPANGLPQNK-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1C(=O)C1(B(O)O)CCC1	2247753375	GFLYQJIRYCYXLS-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247755354	JJINPFOOZKMMMA-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CCC(CC)[C@H](O)CNC(=O)[C@H]1C[C@H]1B(O)O	2247789992	DPXJMDRMZQKFLJ-IVZWLZJFSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@]2(C1)C[C@@H](O)C2	2247803449	BFLDTNATIQDHFK-CDLYGTGVSA-N	239.080	-0.777	50	10	BBGE	
CCc1cnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247805738	KWJZAJXHOWLOOJ-HTQZYQBOSA-N	237.068	-0.549	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@H]21)C1CC(B(O)O)C1	2247806634	OAMPFCQIFNFHJD-ANQZYXBKSA-N	238.096	-0.894	50	10	BBGE	
NCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247810384	XAGATAZGOQECRY-AEJSXWLSSA-N	240.112	-0.421	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CC[C@H](C1)C2(F)F	2247850561	PUSVEKDGUMXGLF-OCAPTIKFSA-N	243.018	-0.495	50	10	BBGE	
CC1(NC(=O)C#CB(O)O)CC(C(F)(F)F)C1	2247850633	QTWNBEDWXLUJMW-UHFFFAOYSA-N	248.997	-0.151	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NC2CC2)c1	2247859171	KRLCXJPUPGQRGJ-UHFFFAOYSA-N	237.039	-0.294	50	10	BBGE	
C/C=C/CNC(=O)c1cccc(F)c1B(O)O	2247868047	PPQYYVDJAWEZGU-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
CN1CCC(N(C)C(=O)C2(B(O)O)CC2)CC1	2247879376	UEICJVHYTSEYDD-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
CCOc1n[nH]c(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247886865	HHIUPDHGAYLYRW-RFZPGFLSSA-N	240.028	-0.995	50	10	BBGE	
COC1(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247894500	HFFBRKKURHOWNF-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1ccno1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247894859	LPHZDSJWAIXEPK-ZKCHVHJHSA-N	238.052	-0.114	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	2247899014	JNYCOZASJJRVPX-LOLPMWEVSA-N	239.080	-0.636	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247903168	IWUPZCPVKMZAEB-BMNUFHGDSA-N	240.112	-0.375	50	10	BBGE	
O=C(NCCCF)c1cc(B(O)O)ccc1O	2248027995	CUQWBTHDJZKEML-UHFFFAOYSA-N	241.027	-0.839	50	10	BBGE	
O=C(O)[C@@H]1CC=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248573653	HWOOEQMYBXTIMV-RNJXMRFFSA-N	239.036	-0.909	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248577481	NGVLIGOVIUDCMR-BWZBUEFSSA-N	241.052	-0.828	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1cocc1B(O)O	2249406743	HPXYDLGSWFXJDS-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCC[C@H]2C[C@H]21	2250000693	MCBKVPKPDRSIOG-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
COCCN(C[C@H](C)O)CC1(C(=O)NN)CC1	2250545676	MKYVYCSHEXOGDY-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ccnnc1	2251560363	ITGGTBSXRAUQSS-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
OB(O)c1ccc2nc(-n3cncn3)sc2c1	2253366852	GHQPRELBXJAZFQ-UHFFFAOYSA-N	246.060	-0.443	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1[C@H]2CC[C@H]21	2255445001	RCGYWRIWDLKTQF-MBTKJCJQSA-N	249.075	-0.346	50	10	BBGE	
CN(Cc1ccncn1)C(=O)C1(B(O)O)CCC1	2255452539	KIOQUZXKSVVZOH-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
C[C@H]1Cc2ccccc2CN1C(=O)C#CB(O)O	2255460382	SRFWBAZDELKPQK-JTQLQIEISA-N	243.071	-0.025	50	10	BBGE	
CCNCc1ccccc1NC(=O)C#CB(O)O	2255465048	FGFSSNKLXZLFIQ-UHFFFAOYSA-N	246.075	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2255481803	LWRJECNGWYGHCU-VEVYYDQMSA-N	249.075	-0.266	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1C[C@H]2C[C@H]2C1	2255511373	ISMIAPZYYRRYTO-DTORHVGOSA-N	248.091	-0.720	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@H]2C[C@H]21	2255719004	CKBACHFSBLNQBU-FXBDTBDDSA-N	249.075	-0.204	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1C[C@H]2C[C@H]2C1	2255746955	BQQAGUMZBZMFOH-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2258143197	VGOCRWREMYBPGN-VAOFZXAKSA-N	249.075	-0.170	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369415	UFAFTTDMFHIODS-IGORNWKESA-N	238.096	-0.813	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298377151	GLSJMQRVMAFHPA-IGORNWKESA-N	239.080	-0.515	50	10	BBGE	
O=C(c1ccnc(F)c1)N1CC[C@@H](B(O)O)C1	2303115576	VKQRXRCBCQMRJZ-MRVPVSSYSA-N	238.027	-0.090	50	10	BBGE	
Cc1ccnc(COCCOCC(=O)NN)c1	2303622615	NBRWVCBTEJMESY-UHFFFAOYSA-N	239.275	-0.087	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2306887719	CUTFXILYDLYNFA-LPEHRKFASA-N	242.128	-0.352	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCCOCCO	2324221046	PAJUAJMAWBBUAJ-UHFFFAOYSA-N	241.291	-0.481	50	10	BBGE	
CCC(CC)NC(=O)COCC(=O)NN	58837725	HQZPOPVCGJEROL-UHFFFAOYSA-N	217.269	-0.702	50	10	BBGE	
COCC1CCN(CC(=O)NN)CC1	70559190	JQURGIKQYFRCBH-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
NNC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1	71478145	BWVKEWHOZAFUED-RXMQYKEDSA-N	239.197	-0.223	50	10	BBGE	
CCN(CC)[C@H]1CCN(CCC(=O)NN)C1	82469292	BEPCEDAFPOYINC-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
COC(=O)CSCC(C)(C)C(=O)NN	86598315	MZSWBUURLCAMKM-UHFFFAOYSA-N	220.294	-0.091	50	10	BBGE	
Cc1nc(C)n(C[C@H]2CC[C@H](C(=O)NN)O2)n1	110602981	RUHGBHDZFLFFFC-RKDXNWHRSA-N	239.279	-0.568	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NN1CCOCC1	149612939	WJZKWTXUKHWMNX-ZCFIWIBFSA-N	235.671	-0.313	50	10	BBGE	
O=C(CCBr)NCc1nnn[nH]1	168433811	JRCHCYDZCYFSOK-UHFFFAOYSA-N	234.057	-0.399	50	10	BBGE	
O=C1OC(=O)[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]12	211354957	VWVGYIAZOGCAKH-ZXZARUISSA-N	237.133	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](O)C1	222181981	PYAGYWKIXMNYDV-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
O=C1NC(=O)[C@]2(CC[C@@H](CCB(O)O)C2)N1	256001996	SPQZGESMALLEIK-IMTBSYHQSA-N	226.041	-0.772	50	10	BBGE	
[C-]#[N+]CCc1nc2n(n1)CCS2(=O)=O	257629136	FTXIHUCHWSITHD-UHFFFAOYSA-N	212.234	-0.473	50	10	BBGE	
CN1CC[C@@H](C2(C(=O)NN)CCOCC2)C1	258979852	JJIODHKNNGUGPN-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	299914973	QTZBNMYRIMJGES-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](C(=O)NC)C1	300044917	SMZKXGNXYGQWTG-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](CNS(=O)(=O)CCl)OC	300381245	NHVHZAWDRLNNJG-LURJTMIESA-N	231.701	-0.237	50	10	BBGE	
CCN(CC)C(=O)CSCCC(=O)NN	300835525	LDORIJXQIIQEEC-UHFFFAOYSA-N	233.337	-0.032	50	10	BBGE	
O=C1NNC[C@@H](OCCCl)[C@H]1Cl	307024685	WLXBFGPBTZKPOA-RFZPGFLSSA-N	213.064	-0.148	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)CC(=O)NN	307706505	ZUVVXUGDYIIAAM-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)N[C@H]1CSC[C@@H]1C	309399860	HFNULUUMJRKORN-ZKWXMUAHSA-N	245.348	-0.117	50	10	BBGE	
CC[C@@]1(NCC(=O)NNC(C)=O)CCOC1	381563937	SJQREHVKGREFPP-SNVBAGLBSA-N	229.280	-0.688	50	10	BBGE	
CC(=NNC(N)=O)[C@@](C)(O)CC(=O)O	383969383	MOJQHGSAMNVBSY-ZETCQYMHSA-N	203.198	-0.744	50	10	BBGE	
Cn1cc(C(=O)N[C@@]2(CCl)CCOC2)nn1	393972471	RWCSOKHIAZVILA-SECBINFHSA-N	244.682	-0.057	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](O)[C@@H]1C	395106416	PWHGENLHFZGVNM-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)CC(C)(C)C1	395801476	ZVTKUGDFYADTPC-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(O)cc1B(O)O	396026865	XAMFFKOEWAHBNC-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
CCC(=O)c1c(CO)cccc1B(O)O	396042298	REWACJZUHMFNLW-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
Nc1sc2c(B(O)O)cccc2c1C=O	396245040	BNIFZTDXNOYRRT-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
NNC(=O)CCCCCN1CCOC[C@H](O)C1	399843174	CWTHNNDWCNUOIX-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
C[C@]1(C(=O)Nc2cc(B(O)O)ccn2)C[C@@H]1F	404979316	MLLLRRUOTIVFCH-XVKPBYJWSA-N	238.027	-0.552	50	10	BBGE	
CNC(=O)Nc1ccc(B(O)O)c(F)c1	405153329	UNAGVQNWGMRVBV-UHFFFAOYSA-N	211.989	-0.743	50	10	BBGE	
Cc1nn([C@@H]2CCCOC2)c(C)c1B(O)O	575597099	OBTYHDQKYDGZCD-SECBINFHSA-N	224.069	-0.469	50	10	BBGE	
C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584985899	RYXXKRONPBUOBJ-RKDXNWHRSA-N	233.076	-0.011	50	10	BBGE	
OB(O)c1cccc(CNC[C@@H]2CCC[C@H]2O)c1	585027748	ZGKKMFKMYRKQFK-WCQYABFASA-N	249.119	-0.383	50	10	BBGE	
CO[C@H](Cn1ccc(B(O)O)n1)C(C)C	694228499	MDMDXHCVPXQGKR-MRVPVSSYSA-N	212.058	-0.766	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@@](C)(CO)C1	694664331	ZVMPIVJMCNBQEO-CKYFFXLPSA-N	243.351	-0.049	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](CCF)C1	700560440	JKUTWIHYQTXUQP-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	702397020	HDYCPBOBHFQWNP-WCABBAIRSA-N	226.324	-0.752	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](C)CO	708460497	PWJGUFFBUZQDQO-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
OC[C@@H]1CCCN(C[C@@H](O)CCl)[C@H]1CO	709879267	GMPHBRNDJKQAQK-GUBZILKMSA-N	237.727	-0.349	50	10	BBGE	
NNC(=O)CCCN1C[C@H](F)[C@@H](F)C1	714557821	GAHYIICGZYVVCT-BQBZGAKWSA-N	207.224	-0.252	50	10	BBGE	
C[C@@H](Sc1nc(O)cc(O)n1)C(=O)NN	716516353	FKVCAARRRCZNIU-GSVOUGTGSA-N	230.249	-0.642	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnc2n1CCC2	719371622	YJONKAGSZGPTNU-MRVPVSSYSA-N	237.307	-0.361	50	10	BBGE	
C[C@@H](O)C1CN(Cc2occc2C(=O)NN)C1	719807539	ORNJVMHKIKWFGW-SSDOTTSWSA-N	239.275	-0.304	50	10	BBGE	
NS(=O)(=O)C1(CNC(=O)CCl)CCC1	721615412	DRDBTCMSDSVNKP-UHFFFAOYSA-N	240.712	-0.447	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCS1	854985388	QKLHELSRQDQENO-XCBNKYQSSA-N	244.316	-0.034	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1	862460138	GDFLBQDAPVMJDF-NFXKFNAJSA-N	239.275	-0.231	50	10	BBGE	
Cc1cccc(NNC(=O)[C@H](O)C(C)(C)O)n1	912980884	CGZUBZBWJPAHGK-VIFPVBQESA-N	239.275	-0.035	50	10	BBGE	
C[C@H](CCl)CNC(=O)Cn1cnnn1	1142139689	XYQBJUUFSVQPEE-ZCFIWIBFSA-N	217.660	-0.336	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1nsnc1O	1290033530	IQWFKTBAAIXZRF-UHFFFAOYSA-N	228.233	-0.585	50	10	BBGE	
CNC(=O)NN=C(C)[C@@H]1COCCO1	1322546854	OXPRSPJIKDVTPR-ZETCQYMHSA-N	201.226	-0.293	50	10	BBGE	
Cc1cccc(F)c1C(=O)NNC(=O)CO	1337721502	PAHSHTYFBDEIFZ-UHFFFAOYSA-N	226.207	-0.113	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccn(C)n2)n1C	1351619839	PAPVPZGFWHMZKY-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(C)CCC(=O)NC1	1449366375	HEQSYRLRBAXALT-NSHDSACASA-N	243.307	-0.488	50	10	BBGE	
CCCNC(=O)NNC(=O)c1n[nH]c(C)c1O	1597915602	PWYQFPHYEARDAP-UHFFFAOYSA-N	241.251	-0.222	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)cc1	1626618468	NGDXUPWZSRMSLV-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1ncc[nH]1	1631194030	RRPYZSBLZBOHCC-UHFFFAOYSA-N	225.252	-0.307	50	10	BBGE	
NC(=O)c1cc(C(=O)NNc2ccncn2)co1	1635933593	ARDWXTHSGDZUKJ-UHFFFAOYSA-N	247.214	-0.075	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@H]1Br	1880434590	RXYHWDFMYCMIAE-STHAYSLISA-N	238.110	-0.366	50	10	BBGE	
CC(CO)(CO)NC(=O)[C@@H]1C[C@H]1Cl	1883633713	BDNOJCAKJZOXFG-PHDIDXHHSA-N	207.657	-0.527	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)C[C@H](O)CCl	1884852150	HVBYNRWYCMIJKG-HRDYMLBCSA-N	223.700	-0.068	50	10	BBGE	
O=C(F)N1CC(=O)N2CCOC[C@H]2C1	1887187079	WSVKGTUMYNXUIM-ZCFIWIBFSA-N	202.185	-0.381	50	10	BBGE	
N[C@]1(C(=O)NC2CC(Cl)C2)C[C@H](O)C1	1890286179	AUXBFXRSFLXFNG-GKAZGUSISA-N	218.684	-0.275	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2Cl)CC(=O)N1	1893474560	KJGBAQKLJMABBK-DSYKOEDSSA-N	216.668	-0.039	50	10	BBGE	
CO[C@@H]1COC[C@@H]1NC(=O)NC(=O)CCl	1893976346	PWWLZZIUMDVWPF-NTSWFWBYSA-N	236.655	-0.535	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(N)CCCC1	1901345023	ZZKBVJXMQQTKFV-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
C[C@@H](COCC1COCCOC1)C(=O)NN	1901438409	FPBUVFYNDDWYJR-QMMMGPOBSA-N	232.280	-0.708	50	10	BBGE	
CCCN(CCC)NC(=O)c1n[nH]c(=N)[nH]1	1901993270	SIDUYRHYYSVYJK-UHFFFAOYSA-N	226.284	-0.016	50	10	BBGE	
CN1CC[C@H](CN2CC[C@](C)(B(O)O)C2)C1	1902551731	SQONWTJKNNRPKJ-QWRGUYRKSA-N	226.129	-0.123	50	10	BBGE	
CC[C@H](CN)Nc1cc(B(O)O)c(F)cn1	1903009323	FEHYGQRIBWFTJC-ZCFIWIBFSA-N	227.048	-0.950	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@H]1[C@H](O)C2	1904369202	CQAYCXSCVMKDEF-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N([C@H](C)CC(=O)NN)C1=O	1907613632	VXZSAEJRFLBKBA-GJMOJQLCSA-N	241.291	-0.214	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1909252103	OFDPHQBLXZEXJF-HHKYUTTNSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CSC2	1914570172	KOOOFEARCIYBEE-CSMHCCOUSA-N	215.322	-0.055	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C(C)(C)CO	1927816226	JPAYDLIBEHNVEN-UHFFFAOYSA-N	225.239	-0.686	50	10	BBGE	
O[C@H](CBr)CN1C[C@H](O)[C@H](F)C1	1929872135	LOUITICOTOXLTQ-QYNIQEEDSA-N	242.088	-0.243	50	10	BBGE	
CCCN(CCCO)C[C@H](C)C(=O)NN	1930056690	PHELXVGZZYUVCP-VIFPVBQESA-N	217.313	-0.293	50	10	BBGE	
NNC(=O)N1CCOC[C@H]1C(F)(F)F	1930691504	RVLBJVSGNOMHGN-BYPYZUCNSA-N	213.159	-0.167	50	10	BBGE	
CC[C@@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1930888977	AJQDITRRGWVZLO-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CN1C[C@@H]2C[C@H]1C(F)(F)C2	1934686167	OQOYJGFIFZITAE-RITPCOANSA-N	205.208	-0.294	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCO2)CC1	1935277183	XZGHVPUEHOKWNE-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CN(CCOCC(=O)NN)CCC(F)(F)F	1936534740	LKZSTMHVKRQFRL-UHFFFAOYSA-N	243.229	-0.123	50	10	BBGE	
CN(C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941070280	ASXXZGMNXJRHRF-DCAQKATOSA-N	240.351	-0.504	50	10	BBGE	
CN(Cc1cnn(C)c1)C[C@@H]1C[C@H]1C(=O)NN	1941084324	XFRIUVHREQUVTD-VHSXEESVSA-N	237.307	-0.522	50	10	BBGE	
CN(CCN(C)C1CC1)C[C@H]1C[C@H]1C(=O)NN	1941990808	CZBGMBOVYACUNK-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
COCC1(C(=O)N2CC[C@H](B(O)O)C2)CC1	1951321079	YAJDBDRBTUSOMB-QMMMGPOBSA-N	227.069	-0.512	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cnc(O)c([N+](=O)[O-])c1	1952955908	CIUYETQVBDRAHI-RNFRBKRXSA-N	224.176	-0.420	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCBr)C[C@@H]12	1954822445	PAZDXACBMAZMGL-OLQVQODUSA-N	247.092	-0.414	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]1C(F)(F)F	1955729482	ZOFRORCMNSPZFR-HRFVKAFMSA-N	211.143	-0.957	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1958212314	NBAODWBUCKRHSM-CIUDSAMLSA-N	212.297	-0.999	50	10	BBGE	
CC(C)CO[C@@H]1CCN(CC(=O)NN)C1	1958244739	RDAJIUHQSGAOGA-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1958447092	YIGUMNAETGEDPE-IGORNWKESA-N	209.293	-0.047	50	10	BBGE	
N#CC1CCN(C(=O)NNCCO)CC1	1960124095	XIAHVDIHCVRUKM-UHFFFAOYSA-N	212.253	-0.572	50	10	BBGE	
CCC1(N(C)[C@H](COC)C(=O)NN)CC1	1961124416	FLUASUGFGRPZCO-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
Cc1c[nH]nc1C(=O)N1CC[C@H](B(O)O)C1	1964511085	VGNMZVPSXSJRNB-ZETCQYMHSA-N	223.041	-0.593	50	10	BBGE	
CCc1cc(F)c([N+](=O)[O-])cc1B(O)O	1974576860	BPXYHRAJVXAGBA-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CC(C)[C@@]1(C(=O)O)C[C@@H]1C(=O)NNCCO	1978674508	VNVBWOSFCIJCJJ-XCBNKYQSSA-N	230.264	-0.654	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2C[C@H]21	1981413507	HQQHYSYGVAGWFN-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
OB(O)c1cncnc1N1CCCCCC1	1981414664	UXMMWKATXPMXRV-UHFFFAOYSA-N	221.069	-0.463	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CC[C@H]21	1981424019	MSWHOHBATCVIOU-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](F)C2)c1B(O)O	1981446785	DDRRDKBPASGLOR-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)C(C)(C)C1	1982416221	SNFXTOLOQGCZFE-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
COCCOCc1ccc(C(=O)NN)nc1	1983343253	BYMFTCPBWPMZAJ-UHFFFAOYSA-N	225.248	-0.152	50	10	BBGE	
C[C@H](CN1C[C@H]2COC[C@@H](C2)C1)C(=O)NN	1988180091	DRCPSGGRSDKVKV-UTLUCORTSA-N	227.308	-0.419	50	10	BBGE	
O=S(=O)(CC1CC1)N[C@H]1CCC=C1B(O)O	1991327242	ONPHCJOJBCDKIO-VIFPVBQESA-N	245.109	-0.583	50	10	BBGE	
CO[C@@H]1C[C@H](CN)N(C(=O)C=CC(=O)Cl)C1	1991650224	LRYBJOOYFCOLMR-HTQZYQBOSA-N	246.694	-0.117	50	10	BBGE	
NC(=O)CC[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1991682241	ICKXIZLWGCCEMF-PBXRRBTRSA-N	248.666	-0.551	50	10	BBGE	
C=C(CN1CC[C@H](CN(C)CC)C1)B(O)O	1992145201	JGSFNVCZUOJACR-LLVKDONJSA-N	226.129	-0.172	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@@H](CO)CCC1(C)C	1994867476	HYASFXANHLGEHT-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CCC(C)(C)C(=O)Nc1ncc(B(O)O)cn1	1996647258	KBFKNJCGVKYLOR-UHFFFAOYSA-N	237.068	-0.469	50	10	BBGE	
Cc1nc([C@H]2CCN2C[C@@H](C)C(=O)NN)no1	1997763732	AOCLACULBLHNCE-HTRCEHHLSA-N	239.279	-0.249	50	10	BBGE	
Cc1nc(OC[C@@H]2CCCO2)ncc1B(O)O	2004930412	UDZYLDSSIDYFOJ-QMMMGPOBSA-N	238.052	-0.977	50	10	BBGE	
Cc1nc(OC[C@@H](C)C2CC2)ncc1B(O)O	2004935419	XJBBRKVVOFEWDJ-SSDOTTSWSA-N	236.080	-0.110	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](C(F)F)C1	2004940226	VJISYYYFMXVKET-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
CC[C@@](C)(COc1ccc(B(O)O)cn1)OC	2004951441	MRDMRDYGBFPMLG-NSHDSACASA-N	239.080	-0.045	50	10	BBGE	
OB(O)c1cnc(N2CCCOCC2)c(F)c1	2005015239	XTJHUOLDCPNTOI-UHFFFAOYSA-N	240.043	-0.873	50	10	BBGE	
C[C@H](COc1cc(B(O)O)ccc1F)N(C)C	2008381262	UMLHJYMBDYZOGO-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@@H]1C(=O)NN	2008784348	BKKWCSSSCTXXIA-LADJIXMOSA-N	239.319	-0.278	50	10	BBGE	
Cc1ncncc1CN(C)C[C@@H](C)C(=O)NN	2009050700	QJQPUYWMTBFVQA-MRVPVSSYSA-N	237.307	-0.157	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3COC[C@H]32)on1	2013468777	PNFZOTLNMXACEF-HZGVNTEJSA-N	238.247	-0.891	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013676639	FIJICEXKWASMKP-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
Cc1ncnc(C)c1CN(C)[C@H](C)C(=O)NN	2014121929	ZCLFJXQFXHWHPN-SECBINFHSA-N	237.307	-0.096	50	10	BBGE	
OB(O)c1cc(F)cnc1OC[C@@H]1CCOC1	2014927421	AIVSDNWNLCZJDG-SSDOTTSWSA-N	241.027	-0.684	50	10	BBGE	
OB(O)c1cncc(OCC2[C@@H]3COC[C@@H]23)c1	2015139157	VQJXFVKLEFUFIG-NXEZZACHSA-N	235.048	-0.967	50	10	BBGE	
COCCN(C1COC1)[C@@H](C)CCC(=O)NN	2018180884	BXYDFMNXDBBDMM-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1cccc(B(O)O)c1	2020035402	XGDQXGFKDNNXLN-VIFPVBQESA-N	231.060	-0.036	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2021106517	HBFGOXULEMNYGG-BWZBUEFSSA-N	243.018	-0.591	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(F)c(O)c1	2021111727	VTBOUMZIROMOAI-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
C=C(CN(C)Cc1ncnn1C(C)C)B(O)O	2021162275	FAIJVEZSUFYTDM-UHFFFAOYSA-N	238.100	-0.141	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CO[C@H]3CC3(F)F)(C1)C2	2023843515	QHXLTFUNHGBBQA-XVYDVKMFSA-N	248.229	-0.050	50	10	BBGE	
CN(CCOC(F)F)c1ncccc1B(O)O	2023987800	XNSUMJWUVZMNHX-UHFFFAOYSA-N	246.022	-0.563	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(B(O)O)c1	2052625709	NWNOHTIRPNNKGK-KLBPJQLPSA-N	244.103	-0.086	50	10	BBGE	
CN(c1ccncc1B(O)O)C1CC2(COC2)C1	2061774669	HMJXWRWXNXYEMP-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
Cc1ncc(OC[C@@H]2[C@H]3COC[C@H]32)cc1B(O)O	2068627500	HDLXXAVCWLPSSZ-URLYPYJESA-N	249.075	-0.659	50	10	BBGE	
CN1CCC[C@H]1COCc1cccc(B(O)O)c1	2080316983	XUWSFROVMWUESP-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC#CCCO	2209514836	QHPIPVVGOCCKIW-UHFFFAOYSA-N	215.636	-0.190	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2212611131	VPQCHLDWPZOSOG-IUCAKERBSA-N	221.069	-0.947	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CC(O)C1	2214604790	DKFAFRJYJZTLOO-UHFFFAOYSA-N	235.092	-0.679	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215770141	AEHARMQCTWLUTD-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2CC[C@@H]2C(=O)NN)cn1	2215774635	XSKVXPDBQQRYCU-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)c1ccnn1C	2215777197	RBVMEIAYQYAJST-RKDXNWHRSA-N	237.307	-0.128	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2216539597	HMPMBJMZFNMZPT-ILWJIGKKSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)C(C)(C)CN	2217173632	PUBVHQQVWGLUFZ-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
COCC1(Nc2cc(B(O)O)ccn2)CCC1	2217176577	YDWKZOKVPAQIKN-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@H]2O)cc1B(O)O	2217182026	YDYXTCLAIJQLKY-PSASIEDQSA-N	236.080	-0.747	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217199299	LJUVKWVCUDQRMY-IUCAKERBSA-N	235.096	-0.699	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Nc1ncccc1B(O)O	2217199760	OXISLRXWMKKLHA-ZJUUUORDSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3CC[C@H](C2)O3)nc1	2223633967	DGZAIRDVWCFILG-OWUUHHOZSA-N	249.079	-0.722	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@H]3OCC[C@H]23)cc1B(O)O	2223649003	SFYGVFWIBMSJML-LNLATYFQSA-N	248.091	-0.483	50	10	BBGE	
CCONC(=O)c1cscc1B(O)O	2241472162	PTFCFHJBZAZYFM-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
Cn1c(O)cn(CCCCC(=O)NN)c1=O	2243059173	ONORWXTYOQHQII-UHFFFAOYSA-N	228.252	-0.947	50	10	BBGE	
O=C(Nc1cnoc1)c1ccoc1B(O)O	2243349387	KNPJVXXERWLBPR-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2243378479	UGULZOOODSLJOT-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
C[C@@H](COC(F)F)NC(=O)[C@H]1C[C@H]1B(O)O	2243395696	AUSKTWBOWUYCIZ-HCWXCVPCSA-N	237.011	-0.407	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1CCC1(C)C	2243401420	QWSJVBOJZSCROJ-BDAKNGLRSA-N	223.081	-0.057	50	10	BBGE	
O=C(N1CCO[C@@H]2C[C@H]21)C1(B(O)O)CCC1	2243409544	KDHMMGLSODEPMP-HTQZYQBOSA-N	225.053	-0.617	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H](C)C(C)C)B(O)O	2243412266	JJMGUVPDWBDBDF-QMMMGPOBSA-N	249.141	-0.234	50	10	BBGE	
CC1(C)CNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243427072	PUZWQVXHFRNJNV-JGVFFNPUSA-N	226.085	-0.940	50	10	BBGE	
C#CCNC(=O)Nc1cccc(B(O)O)c1	2243454735	UMIRQQGBVMQPIR-UHFFFAOYSA-N	218.021	-0.879	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2244221547	NNPRRNIVPHUCJW-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@H]1C	2247738556	RVEYHHJYNRRNDB-HZGVNTEJSA-N	237.064	-0.204	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247747543	OZYPOYYBAXHBHV-MRVPVSSYSA-N	238.096	-0.284	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1ccc(B(O)O)o1	2247748012	WJIOMLAAKLBCEF-NKWVEPMBSA-N	241.027	-0.468	50	10	BBGE	
CN1C[C@@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247754653	HBUMLUGBSCWOAT-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
O=C(N1C[C@@H]2COCC[C@@H]21)C1(B(O)O)CCC1	2247757755	RQOAABRGMNTUCE-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1c(C)cccc1B(O)O	2247760828	OIMYNLIYDHRZQF-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cncc(B(O)O)c1	2247771989	OTYYGKPJVBTEOW-SSDOTTSWSA-N	240.043	-0.761	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247787275	MVJHKOVBDNNGHQ-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787713	SQPYZXMQOBFUJX-AEJSXWLSSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247789991	DOTPXTUSNBTDNR-DTORHVGOSA-N	243.112	-0.141	50	10	BBGE	
N#CC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(F)(F)F	2247790296	GPVVWWWQFURYFD-SRQIZXRXSA-N	249.985	-0.190	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1C[C@H]2O	2247792040	QGOJPUHZZOSRMS-FHNUBNKASA-N	239.080	-0.779	50	10	BBGE	
CCCCCN(C)C(=O)c1c[nH]nc1B(O)O	2247799637	GGKWAUCCNGSOQA-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247806519	FRCUPUAXESWWKB-KATARQTJSA-N	241.096	-0.364	50	10	BBGE	
C[C@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247859054	JYZFJBJHOILKGC-SFGNSQDASA-N	241.096	-0.531	50	10	BBGE	
O=C(N1C[C@@H](O)CC12CCC2)C1(B(O)O)CC1	2247871795	HURLHCUEWMWTAV-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
Cc1nc(CN(C)C(=O)C2(B(O)O)CC2)co1	2247875025	RKAFQSCXQMFQHI-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
CCN(CC(C)(C)CN)C(=O)[C@@H]1C[C@H]1B(O)O	2247898428	DLPXZFOQZCBSNY-RKDXNWHRSA-N	242.128	-0.317	50	10	BBGE	
CN1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247898713	HDLUNGYLYUGMAQ-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H](O)[C@H](F)C1	2247904094	OUJDQQWAMKUCBA-GEPGNKONSA-N	245.059	-0.829	50	10	BBGE	
CCCONC(=O)c1ccc(B(O)O)cc1O	2247961798	IHEFANJSNCHZPE-UHFFFAOYSA-N	239.036	-0.857	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC(C)(C)[C@H]1CO	2247990498	UMQHGYFDAOEMAB-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1cc(B(O)O)co1	2249424362	RMDGXMJOIUOGCV-SECBINFHSA-N	237.064	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2C[C@H]2C1	2249441488	YVXJAUUARBRNHY-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCCN1	2249884923	DZTXINKFVPHIRH-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC[C@@H]1O	2249933040	PTGFXGKMWGXNRD-UYAYMFIHSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NCCC#CB(O)O	2249998490	JRNYYSQZSPLDPY-NXEZZACHSA-N	239.080	-0.819	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NCCC#CB(O)O	2250009226	VVOYNZXBTLWSAF-GMSGAONNSA-N	245.034	-0.201	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@H](C)O)C1CCC1	2250546392	SNPLOBXKSNJKHT-WPRPVWTQSA-N	245.323	-0.773	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1cc(B(O)O)c[nH]1	2255473770	NWNXQUJIUXPIPO-OIOJTZEHSA-N	246.075	-0.921	50	10	BBGE	
C=CCN(CCC)C(=O)c1ncccc1B(O)O	2255518038	YVFSYESVZNYZOZ-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1n[nH]cc1B(O)O	2255553104	UGWKCMSEPUIDHQ-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@@H]1CC1CC1	2255555169	XFMVOJLAWCPIOK-MRVPVSSYSA-N	249.079	-0.896	50	10	BBGE	
Nc1cccc(NC(=O)c2ccc(B(O)O)o2)c1	2255670610	ZGDGBMHVKOPBCI-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1C=CCC1	2255721284	WBTSICCQHXJDJX-VIFPVBQESA-N	249.075	-0.036	50	10	BBGE	
O=C(NCc1cnn2c1CCC2)C1(B(O)O)CC1	2255737352	CRXPEHWHMUNEGD-UHFFFAOYSA-N	249.079	-0.548	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@@H]1C	2255746979	CEBUPPHAOSHJOD-IONNQARKSA-N	249.075	-0.487	50	10	BBGE	
COc1ccc(C(=O)N2CC[C@H]2C)cc1B(O)O	2255747595	NUPSHXQVPIOSNR-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1[C@@H]2CCO[C@@H]21	2297039432	ZOGAWNZPWMKHID-QTSITTDLSA-N	218.640	-0.162	50	10	BBGE	
C[C@@]1(O)CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369457	VDUQOZGYSDSSDO-QCBRBAQYSA-N	241.096	-0.341	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370324	VTGCLVIKWJSRSM-VVULQXIFSA-N	238.096	-0.955	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H](O)C1)[C@H]1C[C@H]1B(O)O	2298370440	YNRYQJMPZPINGM-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CCN	2298371167	BIYCHONMOBOENV-AXTSPUMRSA-N	240.112	-0.707	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2298371844	XPHMCBUHOVWTGA-XKNYDFJKSA-N	241.096	-0.410	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298376965	ZOTWLOGQNBTXLA-FHNUBNKASA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)CCCCCCN1CC([N+](=O)[O-])C1	2300626442	IWWDSTPGGQRVSV-UHFFFAOYSA-N	244.295	-0.112	50	10	BBGE	
COCCCOc1ccc(C=O)c(B(O)O)c1	2301453222	RYUMQZYRNBFPHL-UHFFFAOYSA-N	238.048	-0.406	50	10	BBGE	
CCc1cnccc1Cn1cc(B(O)O)cn1	2301798946	QGQDWTREJMJMJR-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
C[C@@H]1[C@H](n2cc(B(O)O)cnc2=O)CC1(C)C	2302158863	KAGXNWNTOMEVDC-VXNVDRBHSA-N	236.080	-0.470	50	10	BBGE	
C[C@H]1[C@@H](Nc2cc(B(O)O)c(F)cn2)C1(F)F	2303835409	WTGNJHBDCQLDFI-RNHFCUEFSA-N	245.997	-0.034	50	10	BBGE	
CC(C)[C@@H](N)COc1cc(B(O)O)c(F)cn1	2303850721	VZCQJBCILBFRKZ-VIFPVBQESA-N	242.059	-0.737	50	10	BBGE	
Cc1ccc(COC[C@H]2CCN2C)cc1B(O)O	2313836862	BJMSRMWNTNIJSL-GFCCVEGCSA-N	249.119	-0.104	50	10	BBGE	
C[C@@H]1CNC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317160859	JBUGTAIYYXCIHT-PELKAZGASA-N	245.091	-0.742	50	10	BBGE	
CC[C@](C)(O)CNc1ccc(B(O)O)cc1C#N	2317164401	ZDYUUCKALYHLLS-LBPRGKRZSA-N	248.091	-0.189	50	10	BBGE	
C[C@H](CO)OC(=O)[C@@H](O)Br	33637248	SMOOROHNJPGMPL-QWWZWVQMSA-N	213.027	-0.376	50	10	BBGE	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCl	34773849	WTLYZPHPKZKYBR-WDSKDSINSA-N	221.640	-0.640	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	37834221	WMZKFSYQBDIGKM-NGJCXOISSA-N	220.656	-0.939	50	10	BBGE	
CC[C@@H](C(=O)NN)n1ccc(C(=O)NC)n1	70327632	AYDDPCCUJHZKEX-ZETCQYMHSA-N	225.252	-0.816	50	10	BBGE	
COC[C@H]1CCN(CCCC(=O)NN)C1	81121041	RMEYGWCVHIWHJF-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
CC(C)(CCl)C(=O)NC[C@@H](O)CO	85248811	WJYMZKTZMAYDBL-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
C[C@H]1COCCN1CC(C)(C)C(=O)NN	86597744	DSXPGQHNMIWMCV-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1CCOC1	87788535	QCPZCEQSKJJKNO-YFKPBYRVSA-N	206.629	-0.160	50	10	BBGE	
Cn1nnc(NS(=O)(=O)CCl)n1	127655150	LLVPEVIODRUBKH-UHFFFAOYSA-N	211.634	-0.852	50	10	BBGE	
CC[C@@H](C)[C@H](NC)C(=O)N1CCC[C@H]1B(O)O	201810263	BUAAKYSJGLRXTN-UTLUCORTSA-N	242.128	-0.377	50	10	BBGE	
CCN(C=O)CCc1ccc(B(O)O)cc1F	208612024	MVMQRGFEYAPQID-UHFFFAOYSA-N	239.055	-0.474	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H]2CCC[C@H]21	216322343	HBCVSFMQQAYWKT-DJLDLDEBSA-N	213.281	-0.382	50	10	BBGE	
CC1(O)CN(S(=O)(=O)CCCl)C1	232834079	PDPRUTDLDDCSMG-UHFFFAOYSA-N	213.686	-0.378	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cn2)cn1	238550841	DUKRWPNVWPOXGX-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
COC[C@@H]1CCN([C@H](C)C(=O)NN)C1	251538361	IGQQFWCORDNWBR-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
Cn1ccc(=NNC(N)=O)n(C)c1=S	308331881	DHNPNBHHORRBGT-UHFFFAOYSA-N	213.266	-0.423	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CN2CCC1CC2	379750249	KBMNSCNIDWSMAK-KOLCDFICSA-N	240.351	-0.219	50	10	BBGE	
CN(CCC(N)=O)Cc1occc1C(=O)NN	382060299	DKHBIDCAIPWAFT-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
COCCOCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	383247426	FOBUPQSBLNIFIK-ZJUUUORDSA-N	247.339	-0.404	50	10	BBGE	
CN=c1[nH]nc(SCCCC(=O)NN)s1	385262738	XHLZBYJRACLJSF-UHFFFAOYSA-N	247.349	-0.136	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C(C)(C)C1	388143589	DYBVWOUMDDLRPC-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CCC(=O)c1cccc(C#N)c1B(O)O	396086894	AJSSFFXXXQIUCR-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
CC(C)(C)OC(=O)c1cnccc1B(O)O	396140919	KWZPRDRNEZDFMQ-UHFFFAOYSA-N	223.037	-0.283	50	10	BBGE	
Nc1cc(B(O)O)cc2scc(C=O)c12	396259553	SPOVLYKQTAEVOY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1OC(=O)N[C@H]1c1ccc(B(O)O)cc1F	396442239	GVOZKDSFBGRASV-MLUIRONXSA-N	239.011	-0.325	50	10	BBGE	
C[C@H](NC(=O)N(C)C)c1ccc(B(O)O)cc1	405030558	OUSLEECJZXUDNI-QMMMGPOBSA-N	236.080	-0.301	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@]12COC[C@H]1C2	689167375	XADXDVSQRNAYCX-XSSZXYGBSA-N	247.678	-0.081	50	10	BBGE	
CN(Cc1cn(C)nn1)C[C@@H](Cl)C(=O)O	689214219	BRPGSIMEQWCRFG-SSDOTTSWSA-N	232.671	-0.061	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1c1nnc(CCl)o1	698135413	LAROELVLZYXLOS-PHDIDXHHSA-N	233.655	-0.260	50	10	BBGE	
NNC(=O)CCCN1CC(N2CCCC2)C1	700521837	CBADYAUPDWMZOQ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CC(=O)N1CCC(C(=O)NNC(N)=S)CC1	700872690	XNCGSCHQEWTNLX-UHFFFAOYSA-N	244.320	-0.891	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(C(F)F)C2)O1	706488745	XASLMEPKGUWDET-HTQZYQBOSA-N	249.261	-0.279	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1cc(B(O)O)ccn1	707719095	IKJBRPYYAXYTPD-RDDDGLTNSA-N	234.064	-0.254	50	10	BBGE	
COC(=O)/C(C#N)=C1/N(C)N=C(SC)N1N	714530863	KKFSYNHLWIKEAO-WAYWQWQTSA-N	241.276	-0.350	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H](O)CN(C)C	717364625	JHDWFBALZRWZLW-BQBZGAKWSA-N	208.689	-0.348	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1[CH]SC=C1	725711621	LMVPTDMSRSXAJA-SSDOTTSWSA-N	249.080	-0.262	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@@H]1C(N)=O	757146048	MTGZKBXMJGSFFZ-NTSWFWBYSA-N	204.657	-0.053	50	10	BBGE	
O=C(NNc1ccncn1)c1cc[n+]([O-])cc1	1141130969	KSKJTYDUYCLXIU-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
O=C(Cn1cnnn1)NCCCCl	1142140706	VKGTUJFCQKPJHH-UHFFFAOYSA-N	203.633	-0.582	50	10	BBGE	
O=C1C[C@@H](CNS(=O)(=O)CCl)CCN1	1260927387	DFQAUZBVHACJAI-LURJTMIESA-N	240.712	-0.372	50	10	BBGE	
Cc1cc(F)ncc1C(=O)NNC(=O)CO	1306820961	QDOWQGCCOOQWHH-UHFFFAOYSA-N	227.195	-0.718	50	10	BBGE	
CC(C)NC(=S)NNC(=O)Cn1ccnc1	1330105462	VRFSSFZDYLUTLI-UHFFFAOYSA-N	241.320	-0.213	50	10	BBGE	
O=C(CC1COC1)NNC(=O)NC1CC1	1334746417	HJUFJQGXUHRADB-UHFFFAOYSA-N	213.237	-0.484	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@H]1CC(=O)OC1=O	1535821635	GMZBPUDYEJPPGX-SCSAIBSYSA-N	225.160	-0.115	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@H]1C[C@H]1C(N)=O	1618606427	JKSSRXLEBHOVDW-RITPCOANSA-N	244.320	-0.989	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1cccnn1	1633305624	DTPHWZLNHDALQW-JTQLQIEISA-N	236.231	-0.825	50	10	BBGE	
CS(=O)(=O)CCOC[C@H](O)CCl	1881140147	OHXDWUFNTGBPHO-ZCFIWIBFSA-N	216.686	-0.353	50	10	BBGE	
N[C@@H](C(=O)CCl)C1CS(=O)(=O)C1	1881413387	LBZZZTOTMUJODR-ZCFIWIBFSA-N	211.670	-0.834	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@H]1C[C@@H]1Br	1883531826	YCGJJGXZBYKLQG-IMJSIDKUSA-N	246.068	-0.401	50	10	BBGE	
C[C@@H](NC(=O)C1CC(Cl)C1)C(N)=O	1883636095	IJDZNNAGTMYBPT-IISSFJTQSA-N	204.657	-0.006	50	10	BBGE	
CC(C)[C@@H](NC(=O)C(=O)NN)C(F)F	1889100354	RNVCLXNXCHBOEH-SCSAIBSYSA-N	209.196	-0.618	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@@H]2C1=O	1893853120	MANYWPIVGDSSCQ-PRJMDXOYSA-N	211.265	-0.377	50	10	BBGE	
CO[C@@H]1COC[C@H]1NC(=O)NC(=O)CCl	1893976347	PWWLZZIUMDVWPF-PHDIDXHHSA-N	236.655	-0.535	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(F)(F)C1=O	1896023079	OZQJBOMHTJQGCX-NTSWFWBYSA-N	233.218	-0.520	50	10	BBGE	
C#CC[C@@H](C(=O)NN(C)S(C)(=O)=O)C1CC1	1901344187	MVFBEDWSXNTQTK-SECBINFHSA-N	244.316	-0.042	50	10	BBGE	
OB(O)c1csc(CN2CCCC23CC3)n1	1902638667	FSUMTUBKTYTEGQ-UHFFFAOYSA-N	238.121	-0.049	50	10	BBGE	
C[C@@H]1C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903005261	FDCKYAXTHGQDQH-RQJHMYQMSA-N	224.044	-0.610	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907270233	VQKRGXYTSYAMSH-OGBGREFGSA-N	239.319	-0.827	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	1913630601	SOYAJJCUYLHRRP-NKWVEPMBSA-N	220.037	-0.644	50	10	BBGE	
NNC(=O)c1cc(CN=S2(=O)CCC2)on1	1913861257	HMFDDXXGEBLIRR-UHFFFAOYSA-N	244.276	-0.350	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCC[C@H]1O	1923209215	PIHGWWGLLJUULS-CRCLSJGQSA-N	240.181	-0.143	50	10	BBGE	
Cn1nnnc1N1CCOC[C@@H](CCl)C1	1933581440	OAKPBDFFROWLHU-ZETCQYMHSA-N	231.687	-0.098	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2OCC[C@@H]2C1	1941093892	JIRWXUGPBGIDJD-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@H](O)CC[C@H]2C1	1941094954	QDLAJEGHFMUSHJ-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
CCN(C)[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1948374120	KWNPODNDKUGORE-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CC(=O)N1CC(F)(F)C(=O)NN	1955256702	FTPUTXMAKXAKHK-SCSAIBSYSA-N	207.180	-0.768	50	10	BBGE	
NNC(=O)N1CCS[C@@H]2COCC[C@H]21	1956782316	PZBMTXXVBINMFT-RNFRBKRXSA-N	217.294	-0.224	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1958212317	NBAODWBUCKRHSM-HRDYMLBCSA-N	212.297	-0.999	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCO[C@@H]2C[C@@H]21	1961509823	VZPASGRSMVVTCO-RYPBNFRJSA-N	211.265	-0.915	50	10	BBGE	
Cc1nc(N(C)C(C)C)ccc1B(O)O	1961718594	QRIPDCBKQYOHDN-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
Cc1ncc(B(O)O)c(SCC2CC2)n1	1975032344	FMIULYPAMQSESP-UHFFFAOYSA-N	224.094	-0.033	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCc2nccn2C1	1976546753	MMEZDAXJQQKMSM-MRVPVSSYSA-N	224.264	-0.941	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CC[C@@H]1CO	1978944286	JGFKVPYKEAADOU-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	1980225645	ACQSLBGKLAYCBA-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2CCC2)n1	1981422216	LOOYYZWISYOWQV-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)[C@H]1C[C@@H]1F	1982809878	WPIMLJJIXMXGQX-YUMQZZPRSA-N	243.068	-0.598	50	10	BBGE	
COCCN(C)C[C@H]1CC[C@H](C(=O)NN)C1	1985357282	NMRWHIXPKYUOQL-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(CCCC(=O)NN)C1	1988723165	NNRSOPJWPHSYGX-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
Cc1cccc(C(=O)NCC=CB(O)O)n1	1991329216	HYLZXRAXDIHXNC-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CCN(C)[C@@H]2C1	1996607702	HCAASJUGQICBQX-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(CC)C(=O)C1	1996756318	QYBALYWXNZEWRT-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)N1CCC1	1998340650	RKCORBLBNNXSPT-UHFFFAOYSA-N	234.064	-0.718	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@@H]2CF)nc1	2004915655	BGUCPXPLNCGVHT-SECBINFHSA-N	239.059	-0.515	50	10	BBGE	
Cc1ccnc(N2CC3(CCO3)C2)c1B(O)O	2004917949	YLRPQGMQZBJICD-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H](CF)C1	2004938463	DKCQJRZIBBUPGC-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
NNC(=O)c1occc1CN1CC=C[C@@H]1CO	2007496818	YCUPACKTMRABPY-SECBINFHSA-N	237.259	-0.384	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@]2(CC[C@H]2O)C1	2013328933	MUAURGHQGRFBPW-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1OCC[C@H]1F	2019213165	VGRLUFWXWRHGKF-RKDXNWHRSA-N	247.270	-0.788	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2CCC=C2B(O)O)CCOC1	2020067664	JXXPKYGMGDYTCQ-ONGXEEELSA-N	239.080	-0.370	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCCC1(F)F	2020348433	JIQOVCYLGVSDLF-SSDOTTSWSA-N	244.006	-0.277	50	10	BBGE	
C=C(CN1CC[C@H]2[C@@H](CCCN2C)C1)B(O)O	2021159180	OQYNYFBGDSXLBB-RYUDHWBXSA-N	238.140	-0.029	50	10	BBGE	
CN(C(=O)Nc1cc(B(O)O)ccn1)C1CCC1	2029224301	XLNIDZGXZNVXMA-UHFFFAOYSA-N	249.079	-0.222	50	10	BBGE	
OB(O)c1cncnc1N1CCC(C2CC2)CC1	2052470731	HYGWIZBEXGORBD-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(c1ccncc1B(O)O)C2	2052494870	SDJOZNZBLNBKKM-AOOOYVTPSA-N	247.107	-0.956	50	10	BBGE	
COC(=O)C12C3C4C1C1C2C3C41C(=O)NN(C)C	2058984094	ALYNXCANUFNKET-UHFFFAOYSA-N	248.282	-0.510	50	10	BBGE	
CCOc1c(F)cc(B(O)O)cc1[N+](=O)[O-]	2060129326	JTLACDNDEQCCAA-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
OCc1ccc(Br)c(B(O)O)c1F	2060423201	IABWXAMXZHJQNP-UHFFFAOYSA-N	248.844	-0.240	50	10	BBGE	
C[C@H]1C[C@H]1CCC(=O)Nc1ncc(B(O)O)cn1	2072095560	OCMXQWAMZHZJBR-JGVFFNPUSA-N	249.079	-0.469	50	10	BBGE	
CO[C@@]1(C)C[C@H]1NC(=O)c1ccccc1B(O)O	2079009471	IAEYULSKICRNQG-PWSUYJOCSA-N	249.075	-0.726	50	10	BBGE	
NNC(=O)CN1CC(OC(F)(F)F)C1	2209917909	QCIRVATUOOTHEP-UHFFFAOYSA-N	213.159	-0.803	50	10	BBGE	
CC(C)C1(Nc2ncc(B(O)O)cn2)CC1	2212604474	WYDLBBPOHRZDDW-UHFFFAOYSA-N	221.069	-0.243	50	10	BBGE	
CC(C)[C@H]1COCCN1C[C@@H](C)C(=O)NN	2212607318	JTHNPEUEWKOZER-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2CF)CCOCC1	2216875639	ZCYDCYMRTGLXPM-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)[C@H](F)C2)CCCC1	2216881598	MDWNRDHCOHUHOQ-RKDXNWHRSA-N	245.298	-0.449	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)c1cc(B(O)O)ccn1	2217179388	JYSRVORQKYRFQO-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)C[C@H]1C	2217183817	OJOTYQSEYJKWHV-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCCNCC1	2217197141	XUVTVHKUQFNQAW-SECBINFHSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)C[C@@H]1F	2217204455	JZSUPYXCGMYEHJ-SCZZXKLOSA-N	238.071	-0.054	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2C[C@@H]3C[C@H]3C2)n1	2222644452	ADUHOPVYBHJTMJ-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CNCC3(CC3)C2)c1	2223635593	YZJRQFNBEZTCSX-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
C[C@@]1(C#N)CCCN(c2ccc(B(O)O)cn2)C1	2223636968	BSTTXDKBFUCAQU-LBPRGKRZSA-N	245.091	-0.109	50	10	BBGE	
C[C@H]1CC[C@H](CNc2ccc(B(O)O)cn2)N1C	2223637433	FQQJDWJJGJCLMN-GXSJLCMTSA-N	249.123	-0.344	50	10	BBGE	
Cc1cnc(NC[C@]23C[C@H](CO2)C3)cc1B(O)O	2223639337	CKQPRIJCOFAJRT-WVSHTKLVSA-N	248.091	-0.339	50	10	BBGE	
N#CC[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2223647891	DTXVHTJEGNRUMB-MRVPVSSYSA-N	249.054	-0.360	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCO[C@@H]2C2CC2)c1	2223674905	NVQXTCQCCSXOMV-CMPLNLGQSA-N	248.091	-0.259	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CCC1	2241468648	RPSJCFRNNGSEID-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
O=C(Nc1ccns1)[C@H]1C[C@@H]1B(O)O	2241481088	RDZZLEXQONWXNI-WHFBIAKZSA-N	212.039	-0.056	50	10	BBGE	
C#CC1CC(NC(=O)NN(C)C)(C(=O)O)C1	2243257622	GUEHQGLGMUPHIU-UHFFFAOYSA-N	225.248	-0.371	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)C#CB(O)O)O1	2243349148	GYDVKEJHSFQXOU-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ccncc1B(O)O	2243349402	KUGLZRXOLKYZDN-SSDOTTSWSA-N	222.053	-0.710	50	10	BBGE	
CC(C)[C@@H]1CCN(C(=O)C#CB(O)O)C1=O	2243357680	ZZZVHUQFKLADGR-QMMMGPOBSA-N	223.037	-0.967	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccsc1B(O)O	2243359406	SIHYWULNPLEWGM-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
CCCCN(O)C(=O)c1cc(B(O)O)sn1	2243377553	BLQYMSCDNUJNFV-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
Cc1sc(C(=O)NC[C@@H](C)F)cc1B(O)O	2243381075	BWAWPTMGBZEVMY-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C(NC[C@@H](O)C1CC1)[C@H]1C[C@H](B(O)O)C1	2243391770	OBCIKMWOSYDWPZ-IWSPIJDZSA-N	227.069	-0.874	50	10	BBGE	
C[C@H](O)[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2243397836	JZRSSYFOGJTJFN-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@H](C)C1	2243401246	OJULXPCXVVSJSC-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)C1(C)CC1)B(O)O	2243413119	ZVMVFDAHBKNRDL-QMMMGPOBSA-N	247.125	-0.337	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC2CC1C2	2243420080	MGCJYSAEEMLDFO-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2243769545	VHOHFFLWLFFODM-ACZMJKKPSA-N	229.041	-0.924	50	10	BBGE	
COc1cc(OC)cc([C@](C)(N)B(O)O)c1	2243984102	HMORZFXDDKUTMF-JTQLQIEISA-N	225.053	-0.110	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cocc1B(O)O	2244205312	IEAORTGESFQHEQ-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1COC2(COC2)C1	2244361443	WUDAWQSAYIRTFL-HIXXPVPXSA-N	245.662	-0.018	50	10	BBGE	
CCC[C@@H](C)NC(=O)NCCC#CB(O)O	2244534652	MEJPWXSGZJBRLC-SECBINFHSA-N	226.085	-0.120	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccccn1	2244546445	LNZMPISBSQYUEO-UHFFFAOYSA-N	218.021	-0.783	50	10	BBGE	
O=C(N1CC2CC1(CO)C2)C1(B(O)O)CCC1	2247735545	ZZNOIIYPSCYRAH-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC2(CC2)C1	2247744331	RCQBOBTXLDCFAH-UHFFFAOYSA-N	234.064	-0.679	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1(F)CC1	2247748139	YLTXVVAJMPIZIM-ZCFIWIBFSA-N	240.043	-0.685	50	10	BBGE	
CC(C)CNC(=O)c1c(F)cccc1B(O)O	2247752449	PNRZMGJAXSPIDR-UHFFFAOYSA-N	239.055	-0.109	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2247753318	FJVYPKXIVXZKDY-DJLDLDEBSA-N	239.080	-0.180	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247754222	CUJYZMILPSOMPF-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CCn1ccnc1CNC(=O)C1(B(O)O)CC1	2247758836	XTTDTCOZTBOOCA-UHFFFAOYSA-N	237.068	-0.474	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247791857	PGEDAKPTCKEJHC-NFTFJBJSSA-N	241.096	-0.389	50	10	BBGE	
CN(Cc1ncon1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797486	KCHIQBVYQXSANL-LJGSYFOKSA-N	239.040	-0.719	50	10	BBGE	
C[C@]1(CO)C=CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247798940	YMGKGGYIZDMVCW-IQJOONFLSA-N	239.080	-0.611	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C2(CCC2)C1	2247809259	OKPKDRNTWOKEJR-DJLDLDEBSA-N	238.096	-0.668	50	10	BBGE	
O=C(NC[C@H]1CC(F)(F)CN1)C1(B(O)O)CC1	2247853498	MYOAMQZLVPOFAS-ZCFIWIBFSA-N	248.038	-0.893	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)C1CC(B(O)O)C1	2247855583	VAJMYJDFSCEOHA-RTBKNWGFSA-N	240.112	-0.421	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1(C)CC1	2247867673	KOUXBJJOFTXACS-UHFFFAOYSA-N	236.080	-0.530	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2247891764	NMZCJLHTIHWVBO-NFTFJBJSSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247895022	NFQQXOOUCLVSLG-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
COC[C@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895380	ROSRACZWYJLKSE-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1cn[nH]c1	2247897474	STNKOEPDWKVWBY-BHNWBGBOSA-N	237.068	-0.160	50	10	BBGE	
C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2247897930	YNLLJQDKLAPWMP-IWSPIJDZSA-N	237.068	-0.749	50	10	BBGE	
COCCC1CN(C(=O)C2CC(B(O)O)C2)C1	2247908861	BBWRSRBQHOVETH-UHFFFAOYSA-N	241.096	-0.266	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2C[C@H]1CO2	2247910064	MPNIJEGQYNZASL-QLEHZGMVSA-N	239.080	-0.371	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248587744	UFDXGAHGHJYGTC-RNFRBKRXSA-N	241.052	-0.828	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)sc2C)CC1	2249988759	JPYLWUVULGAAHS-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NCCC#CB(O)O)O1	2249999069	QVIVYKPEBYYSSF-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2250336431	OHSPKHITZTVVNV-DSPMHBFJSA-N	239.319	-0.685	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1ncccc1B(O)O	2255515697	BGHBVGMYBAESIV-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
C=C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255516008	FVACLQPSYKCSDD-SNVBAGLBSA-N	246.075	-0.544	50	10	BBGE	
Cc1cc(C(=O)Nc2cnn(C)c2)oc1B(O)O	2255573411	MEGKLUOHWGRLKA-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]32)oc1B(O)O	2255577248	RKUMLQNUGZKQDJ-DJLDLDEBSA-N	249.075	-0.204	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1O	2255934382	KAQJZCHXRMCNRQ-MRVPVSSYSA-N	249.075	-0.304	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)co1)C(C)(C)C	2258153559	UXQYKYJJHRHAEH-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2ncco2)c1	2263395658	PQMWAMUIALMPCS-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCO[C@H]1C[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@@H]21	2298029407	WEVVPUYOAQJXOY-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2298376561	CIKYGOZKXCVQJU-SPFKKGSWSA-N	238.096	-0.955	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377229	IXBMBTGVDHRVQW-DFLMOOGLSA-N	240.112	-0.517	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@H]1CCCCO1	2300231932	AKPDJYLKDMMUCM-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCC[C@H]1C[C@H]1C(=O)NN	2300393169	KCCFDJNONIOPGS-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
NC(=O)NNC(=O)c1cccc(=O)c(O)c1	39098591	GKIVYIVWDNDRJD-UHFFFAOYSA-N	223.188	-0.935	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](CC(C)C)C(=O)O	43442668	BJABTJRYGUDKFA-QMMMGPOBSA-N	245.279	-0.757	50	10	BBGE	
CC(=O)NC[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@H]12	44005254	FGPZPYNCWJUZRO-HGIWHZBTSA-N	239.227	-0.630	50	10	BBGE	
CN(C(=O)COCC(=O)NN)c1ccccc1	58837490	ZZKLTPQRSDBKJF-UHFFFAOYSA-N	237.259	-0.344	50	10	BBGE	
NNC(=O)c1ccc(Cn2cncn2)s1	82468477	POBAGHJGMWUGKP-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](CC)C(=O)NN	82469857	NESZUIGWNDDMSQ-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC(C)(C)O	86313747	IUXWXBPWCNTLHI-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
O=C(CCl)NCCN1C[C@H](C(=O)O)CC1=O	170313772	TVUMMTYNVMMFLR-ZCFIWIBFSA-N	248.666	-0.726	50	10	BBGE	
CCN(CCO)C(=O)C(=O)NCCCl	170359708	NLGPBQQELGAOBK-UHFFFAOYSA-N	222.672	-0.818	50	10	BBGE	
COC(=O)[C@H]1C[C@@H]1C(=O)NNC(=O)C(C)(C)C	171379703	HCXFEMAERCWPCK-BQBZGAKWSA-N	242.275	-0.011	50	10	BBGE	
COCOC(C)(C)c1cccc(B(O)O)n1	204263553	JPIVHNWDYDHPCL-UHFFFAOYSA-N	225.053	-0.383	50	10	BBGE	
O=c1ccccn1Cc1cc(F)cc(B(O)O)c1	211629834	HTWDQUBVUSODIH-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1[C@H](C)C(=O)NN	216300109	WOJSJIVOOUGDIY-XLPZGREQSA-N	201.270	-0.526	50	10	BBGE	
CCc1cnc(N(N)C(=O)CC(N)=O)s1	231482532	UVNNCPAJGMQPCR-UHFFFAOYSA-N	228.277	-0.212	50	10	BBGE	
COCCCO[C@H](COC)C(=O)NN	232417431	NBZLCAUOROAYCK-SSDOTTSWSA-N	206.242	-0.956	50	10	BBGE	
COC[C@H](O[C@H](C)C(F)(F)F)C(=O)NN	232418513	HEJMIVNDOUSSSJ-UHNVWZDZSA-N	230.186	-0.041	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(F)(F)F	232419290	QFEUSXKCADSHOM-YFKPBYRVSA-N	229.202	-0.515	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCC#N)CC(C)C	232419596	AYZKTYCWWLEZCN-SNVBAGLBSA-N	242.323	-0.137	50	10	BBGE	
CCNC(=O)C(=O)NN=Cc1ccccc1O	252620690	MJWCQKJGIHVBTR-UHFFFAOYSA-N	235.243	-0.022	50	10	BBGE	
CN1CCN(C(=O)CNC(=O)CCl)CC1	259034582	UFSDEVIZABYPAX-UHFFFAOYSA-N	233.699	-0.885	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCC(=O)N(C)C	300857357	OQAHAOIOCCLUSC-RNFRBKRXSA-N	233.337	-0.178	50	10	BBGE	
N#CC1=CCN(C(=O)C(=O)C(=O)O)CC1	308854703	PLQLXKXXLZXCNN-UHFFFAOYSA-N	208.173	-0.678	50	10	BBGE	
CCCc1nnc2n1C[C@H](C(=O)NN)CC2	380327781	ISDUCMPXQDHITG-SSDOTTSWSA-N	223.280	-0.217	50	10	BBGE	
COC[C@@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	381374635	NPYLAZYTICPTHS-KOLCDFICSA-N	229.324	-0.029	50	10	BBGE	
CNCCSCC(C)(C)C(=O)NN	382650096	SQZQQNUBPSTIGF-UHFFFAOYSA-N	205.327	-0.045	50	10	BBGE	
OB(O)c1cc(Cl)nc([C@H]2CCCNC2)c1	393777795	HAOLZODHIRPELE-ZETCQYMHSA-N	240.499	-0.118	50	10	BBGE	
COC(=O)Cc1cc(B(O)O)ccc1CCC#N	396042121	QTYWCKNPQGCHSO-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c(C(=O)O)c1	396131618	FBPOTBGAMJMNDX-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
Nc1cc2cc(C=O)c(B(O)O)cc2s1	396256980	NTXUOBXBTCVJNN-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc(B(O)O)c(O)c2ccsc12	396335887	DWWVUWHFNMBHLL-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1sc2c(B(O)O)cccc2c1O	396374048	AYIWTICSVRNTMO-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C2COCC1COC2	399915160	HZLVGAWSZNAOAP-XHHQTKHESA-N	243.307	-0.900	50	10	BBGE	
Cc1nn([C@H]2CCCO2)c(C)c1B(O)O	686739385	KPXZJQPQIIXHGR-MRVPVSSYSA-N	210.042	-0.511	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)CF)CC1	692126021	ZEQGKZVVDVMUQV-MRVPVSSYSA-N	202.229	-0.333	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	694432875	PUFQTQAKBXLVGV-BIIVOSGPSA-N	211.265	-0.471	50	10	BBGE	
C[C@@H]1CC(NC(=O)C(=O)NN)C[C@@H](C)O1	694790603	UMYLMOWGLNVILK-PHDIDXHHSA-N	215.253	-0.952	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	695105210	XEACRXOTQZHZDU-RKDXNWHRSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCC[C@@H]1O	708514840	WLIMRRWXCTZFQL-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cn[nH]c2)CC1	709386330	PUQHMLIDSWDVJM-UHFFFAOYSA-N	220.232	-0.100	50	10	BBGE	
CCCNC(=O)N1CCc2c(B(O)O)cccc21	712132062	JZYDNFZBSQIKHM-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
CN(C)C[C@@H](CCl)NCc1nnnn1C	716669815	GFNCAVZCTBIUJK-SSDOTTSWSA-N	232.719	-0.531	50	10	BBGE	
Cc1cccnc1NNC(=O)CC(N)=O	791213706	AINNSZWUNCIJTI-UHFFFAOYSA-N	208.221	-0.291	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1C(F)F	801612569	BFZZQVZFVIVUJF-WDSKDSINSA-N	235.234	-0.403	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)[C@H]1CCCS1	854984470	CMMMZABBRRIOHH-RNFRBKRXSA-N	230.289	-0.424	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1coc(OC)n1	860668252	OPDHQYNKTBIXJK-UHFFFAOYSA-N	242.235	-0.011	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=CCC[C@@H]2CCO2)N1	863151355	LDWGSWJPXSGGEY-BDAKNGLRSA-N	239.275	-0.064	50	10	BBGE	
CC#CCNC(=O)NNC(=O)c1cnsn1	884243259	ABRNGKLUEVRNRC-UHFFFAOYSA-N	239.260	-0.495	50	10	BBGE	
CC[C@@H](F)C(=O)NNC(=O)[C@@H]1COCCO1	1126607924	ATDYSKUJDOIMDW-RQJHMYQMSA-N	234.227	-0.703	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn(C)c1OC	1136379916	RYJUEIBQOALRSC-UHFFFAOYSA-N	227.224	-0.998	50	10	BBGE	
COc1cnc(C(=O)NNc2cnnn2C)nc1	1558988656	AHAQTJDYFGLOJO-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1cccnn1	1596612931	LXTMDAKAYHZLJC-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NN	1615892104	ZVDPDKRBBAYCOQ-RNFRBKRXSA-N	245.279	-0.342	50	10	BBGE	
Cc1cc(C)n(CC(=O)NNc2cnnn2C)n1	1641601537	SYFWQOHTCPJXBR-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@@H]1Br	1880435119	YZDKMYAQGZMWLL-HRFVKAFMSA-N	222.042	-0.531	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1CC[C@@H]1O	1881586074	IDAHDHGXCHXWNU-RITPCOANSA-N	213.686	-0.127	50	10	BBGE	
COC[C@H](N)C(=O)NC1CC(Cl)C1	1881718264	DFIVKEUEPAKGFV-AHXFUIDQSA-N	206.673	-0.154	50	10	BBGE	
NC(=O)C1(NC(=O)[C@H]2C[C@H]2Br)CC1	1883537802	MBVIRDGFRHEJJH-CRCLSJGQSA-N	247.092	-0.096	50	10	BBGE	
CCC[C@@H](NC(=O)C(=O)NN)C(F)F	1888132775	UKDFYIOGPJHYCZ-SCSAIBSYSA-N	209.196	-0.474	50	10	BBGE	
O=S(=O)(CCCl)NC1([C@H](O)CO)CC1	1888178082	XLRMWJWSMAYREG-ZCFIWIBFSA-N	243.712	-0.970	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@H]1CN2	1893416355	BSGYBTAFCPXQSL-RQJHMYQMSA-N	214.652	-0.119	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@H](F)C1	1893504750	LYWNVIIXOGRBKJ-GONBATFASA-N	221.615	-0.151	50	10	BBGE	
C[C@H]1CC(=O)N([C@H](C)CC(=O)NN)C1=O	1893837493	BPBCZTKNEJWOPO-NTSWFWBYSA-N	213.237	-0.850	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCOCC1=O	1893845679	ASZPSVNXIDQKPG-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)[C@@H]1CCCCO1	1900390378	ILFIRJOPZMOSNK-SFYZADRCSA-N	229.280	-0.560	50	10	BBGE	
CC(C)=C(Cn1ccc(O)nc1=O)B(O)O	1901621536	AIGQTWHZYBYOKO-UHFFFAOYSA-N	224.025	-0.703	50	10	BBGE	
CC(C)NC(=O)CCN1CC[C@@H](B(O)O)C1	1902506874	YICGXBUWWYZPAX-SECBINFHSA-N	228.101	-0.550	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCSC2)O1	1902760389	ZOOAXQLPESKTHN-IUCAKERBSA-N	245.348	-0.080	50	10	BBGE	
C#C[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903009050	CQOYTBPSZYVWEV-ZETCQYMHSA-N	222.028	-0.996	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1[C@H](C)CC(=O)NN	1903341052	BADDNVXDCFKCPQ-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
COC[C@@H](OC1(C)CCC1)C(=O)NN	1907670617	FRHMMFIWSSWHEF-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@H]1CO	1909054486	DTIFOQJAYGUOMA-CIUDSAMLSA-N	213.281	-0.766	50	10	BBGE	
Cn1ncc(C=CC(=O)O)c1C(=O)NN	1912126036	NBSJXUIYQPGHTA-UHFFFAOYSA-N	210.193	-0.879	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)N1CC[C@H](O)C1	1914178256	ZFWNSKXMRRDPQZ-BQBZGAKWSA-N	242.728	-0.485	50	10	BBGE	
NNC(=O)C(=O)NC1([C@H]2CCCO2)CCC1	1937805688	ISKDPZHEUQKTGB-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
Cn1ncc(Cl)c1CN1CC(=O)OC(=O)C1	1937978031	XJQRKPJHOMCCIO-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
CCn1nnnc1SCC1(C(=O)NN)CC1	1938249714	YHPPLOCLBNZVJQ-UHFFFAOYSA-N	242.308	-0.445	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1938474494	PRVCDLRLHLFZHB-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CCCn1ccn(CC2(C(=O)NN)CC2)c1=O	1945884145	MBAXCFYYQKYYMK-UHFFFAOYSA-N	238.291	-0.170	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(O)(COC)CC1	1946495956	QIEXCRBYNZMHQO-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CO[C@@H](C)[C@@H](C)N1CC(=O)OC(=O)C1	1955629407	LQHGBBVGPGSQFS-RQJHMYQMSA-N	201.222	-0.205	50	10	BBGE	
CCN(CC)[S@@](C)(=O)=NCC(=O)NN	1956457460	DNLYZTANDOVLNL-AWEZNQCLSA-N	222.314	-0.669	50	10	BBGE	
C[C@H](CSCCOCCN)C(=O)NN	1956691636	XHZKFDVHKYYDRG-SSDOTTSWSA-N	221.326	-0.679	50	10	BBGE	
O=C1[C@H]2CCO[C@@H]2CN1S(=O)(=O)CCl	1956915770	VGVCTMHQPIGFEV-NTSWFWBYSA-N	239.680	-0.240	50	10	BBGE	
C[C@H](Cl)CC(=O)NCc1nnn(C)n1	1957318636	OHFHGKWTARXBSW-YFKPBYRVSA-N	217.660	-0.156	50	10	BBGE	
CN(CCC(=O)NN)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1957685465	JZKWMFTUSANIHQ-FNCVBFRFSA-N	209.293	-0.047	50	10	BBGE	
CC[C@H](O)CN(C)CC(F)(F)C(=O)NN	1959510550	DVXDBCCPKTYZHN-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C=C(CCl)CN1C[C@H]2C(=O)NC(=O)[C@@H]2C1	1960156155	PKWLGIBWMIUYAL-HTQZYQBOSA-N	228.679	-0.014	50	10	BBGE	
CN(C)[S@@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1960618513	ORGPQRSSQFDUMB-SOBLTARESA-N	234.325	-0.813	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CCO2)C1	1961519723	KWWCCMKKMPXVJF-HTQZYQBOSA-N	211.265	-0.913	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ncc(B(O)O)cn1	1961778939	RJOKTAOGDYJMLL-HTRCEHHLSA-N	207.042	-0.999	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cccc(B(O)O)c1	1962944506	SZNUPEIBBLQQRZ-SSDOTTSWSA-N	225.028	-0.546	50	10	BBGE	
CN1CC[C@H](CNS(=O)(=O)CCl)C1=O	1965784401	ZVIMCAJMESAYRI-ZCFIWIBFSA-N	240.712	-0.420	50	10	BBGE	
C[C@H](CN1CCC12CC(CO)C2)C(=O)NN	1976885585	JQSSCRLDEPMSGL-FKTRJACZSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](COC)N(C)C[C@H]1C[C@H]1C(=O)NN	1979240643	FKKBXLREMKULSH-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[S@@](=O)(=NCCC(=O)NN)N1CCCCC1	1979786022	ZWRMYSKRMDFXLW-MRXNPFEDSA-N	248.352	-0.135	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ccc(B(O)O)cn2)C1	1981413821	KXIZZRKNGKVQDO-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@H]2C)n1	1981468820	IRJRTOWLFQDDDY-NKWVEPMBSA-N	221.069	-0.691	50	10	BBGE	
OC[C@H](O)CN1CCN(CC=CCCl)CC1	1983983676	DTROLAYKLFJXIC-LLVKDONJSA-N	248.754	-0.248	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2CF)c(Cl)c1	1986085711	ZTDZOQZEFVFRNH-ZETCQYMHSA-N	244.462	-0.037	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1(CCO)CC1	1988602174	YKQBWQUBXHOGAY-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
C=CC1(O)CN([C@@H](CC(C)C)C(=O)NN)C1	1990554724	DKXPGVRFXPMKBZ-VIFPVBQESA-N	227.308	-0.376	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CCC[C@H]2C1	1990773973	CGTREXUNIDWWSA-AOOOYVTPSA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1[C@@H]2CCC[C@@H]12	1990775780	AFBDHTZDYALWPT-RKDXNWHRSA-N	225.292	-0.116	50	10	BBGE	
O=S(=O)(CCC1CCC1)NCC=CB(O)O	1991330928	NBNJCSJRQFOFON-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
COCCN1C[C@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1991436795	BGRSBSPXSGCAMU-YTWAJWBKSA-N	248.754	-0.105	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@@](O)(CO)C1	1991704269	QYTJRARDFRXLNL-PBKGFPTLSA-N	247.678	-0.346	50	10	BBGE	
N[C@@]1(C(=O)O)CCN(C(=O)/C=C/C(=O)Cl)C1	1991714354	FQPOKDOSLCFTST-VWCDRPFISA-N	246.650	-0.678	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]21	1992337630	JVUSTMBUDVIPEQ-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CN(CCOC(F)F)C[C@H]1C[C@H]1C(=O)NN	1993958915	FPRCSTPKVQTIHJ-RNFRBKRXSA-N	237.250	-0.217	50	10	BBGE	
CCC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1CO	1994827076	SMZVUDJHCYMBNS-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(CCOCC(=O)NN)C[C@H]21	1995063884	BPOOPRZGMATJJM-BBBLOLIVSA-N	227.308	-0.419	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@]2(C)C1	1995644297	CLQUZGMLHZEEGA-MWLCHTKSSA-N	225.292	-0.114	50	10	BBGE	
COCCOC[C@@H]1CCN([C@@H](C)C(=O)NN)C1	1996914461	NTSDEASJHJBZEH-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(CC2(C(=O)NN)CC2)C1	1997257367	RYPSDSXJPFXYHA-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CN(CC1([C@@H]2CCCO2)CC1)C(=O)C(=O)NN	2000456914	XQHIOACLJDCSDR-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2CC2)C(=O)C1	2004023229	HRBBCTUEURBIGR-SECBINFHSA-N	240.307	-0.939	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@H]1C[C@@H]2O	2004603072	PTXPVONOERKPRP-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1ccncc1B(O)O	2004911696	JZHXSMXDWMVAGH-IUCAKERBSA-N	232.092	-0.146	50	10	BBGE	
CC[C@H]1[C@H](C)CCN1c1ncncc1B(O)O	2004916494	MCFQJAZZHHLLLM-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1OCCOC1(C)C	2013867177	ZZPBSINEAVURKR-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
COC1CN(C[C@H]2CCC[C@H](C(=O)NN)O2)C1	2018242192	DIGJKPSLVCMVDQ-PSASIEDQSA-N	243.307	-0.755	50	10	BBGE	
CCON(CC)C(=O)c1ccccc1B(O)O	2022196217	JBQZBVMASIAVIU-UHFFFAOYSA-N	237.064	-0.220	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(B(O)O)cc1	2022200206	PTXXHHOUDRTZIY-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1ncc(B(O)O)cn1)C2	2026849316	QVYRKDBIHPMTCH-KWQFWETISA-N	233.080	-0.607	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCCC[C@H]21	2052467217	OBMFQIKGXRXNRO-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3CCC[C@@H]32)nc1	2052469413	QLZBBIBNISITFI-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cccc(COCc2cnccn2)c1	2080316419	QZABZMZFBAFUNV-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2211492952	IXYBDVOASGGEIZ-DTWKUNHWSA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2COC[C@H]2C1	2215776681	OJOKQVGJRVXACI-UKKRHICBSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H](CCO)C1	2215778276	YHOOEJJLTNYIAG-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@H]1CCNC1	2217172649	LJXNKRUXIZVQND-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@]3(C)C2)cc1B(O)O	2217180596	IMKQZFUDOMUUMQ-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
Cc1cnc(OC[C@@H](N)C(C)C)cc1B(O)O	2217182358	CNGPEZRJIRXQFO-SNVBAGLBSA-N	238.096	-0.568	50	10	BBGE	
Cc1cnc(NC[C@H](O)C(F)F)cc1B(O)O	2217183316	HGCKCAKGWQUZBX-ZETCQYMHSA-N	246.022	-0.892	50	10	BBGE	
CCC(N)(CC)COc1cc(B(O)O)ccn1	2217187353	XBKBWBHFPQGGHG-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
CCC[C@@H](CN)COc1cc(B(O)O)ccn1	2217195446	KFGNFQZTTPZDQV-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@@H]1[C@@H](Nc2ccc(B(O)O)cn2)CCN1C	2217203363	TZIQTOAJUYWXBC-SCZZXKLOSA-N	235.096	-0.734	50	10	BBGE	
CN(N)C(=O)[C@H]1C[C@H](S(C)(=O)=O)C1	2241660009	OHJNJMGGUVKIAT-IZLXSQMJSA-N	206.267	-0.858	50	10	BBGE	
C[C@H](CF)N(C)C[C@H]1C[C@@H]1C(=O)NN	2241720233	OTYOXESQTOAIDU-PRJMDXOYSA-N	203.261	-0.098	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1nncs1	2243291146	UYDWDQUPDAPGPA-UHFFFAOYSA-N	243.292	-0.863	50	10	BBGE	
CN1CC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2243348540	ZGPNDQLEMAOCDU-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CCN(CCF)C(=O)c1ncsc1B(O)O	2243358273	DYQBWJYWKMCBRU-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
C[C@@H]1C(NC(=O)c2csc(B(O)O)c2)[C@H]1C	2243362250	OGQQEQLJUQDMIW-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)C1(B(O)O)CC1	2243364169	SFKNMRCSVFQSIH-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
Cc1sc(C(=O)N2CCC2)c(C)c1B(O)O	2243382574	QFKVMEVVAFAHSK-UHFFFAOYSA-N	239.105	-0.109	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2243400327	ZHBMJSXFBXQBBJ-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
C[C@H](CCCCCO)NC(=O)C#CB(O)O	2243400506	CENDGUXQUMXANP-SECBINFHSA-N	227.069	-0.941	50	10	BBGE	
O=C(NCCC(F)F)c1sccc1B(O)O	2243404782	ULVWDQFKUCNUBG-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
C[C@@H](CO)CCCNC(=O)C1(B(O)O)CC1	2243411522	VGJFGHUXELNJRV-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](P(C)(C)=O)C1	2245232757	XMTBGHNYIREXFI-JGVFFNPUSA-N	249.251	-0.354	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247741185	WDBLNGPONZQOMY-SECBINFHSA-N	239.080	-0.989	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(CCF)C1	2247744253	PWCRWSPYTLPGMY-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1ccoc1B(O)O	2247747739	RTLLXAONESWKBS-NKWVEPMBSA-N	241.027	-0.468	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CNC[C@@H]2C1)C1(B(O)O)CC1	2247751016	RNPBCJLJXBUTQV-AYMMMOKOSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247759261	ZMCXABRPVQTMTF-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
Cc1cc(C(=O)N2CCC2=O)ccc1B(O)O	2247761746	WYFUJQSQZFUMEQ-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1COC1	2247788062	YSLNWYKYQUKFPV-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CCNC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247791660	OGPGLTDZRZNOEL-CIUDSAMLSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2247801241	YQSVKWWNHCLFHF-JLIMGVALSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1C	2247879515	TYGDREJXLQPFCR-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C=CCC1(O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247886278	AEJWPCGDBSITAM-KYZUINATSA-N	239.080	-0.611	50	10	BBGE	
CC(C)CN(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895182	POGSORNEXKHDOW-MGCOHNPYSA-N	243.112	-0.284	50	10	BBGE	
O=C1CC2(CCCC2)N1C(=O)[C@@H]1C[C@H]1B(O)O	2247898690	GZJTVICVSFCZPT-HTQZYQBOSA-N	237.064	-0.079	50	10	BBGE	
CC(C)=CC(=O)NCc1cccc(B(O)O)c1	2248414456	KMOWBPXKLYEAGY-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
OB(O)c1ccccc1CO[C@H]1C=CCOC1	2249229821	TTWRROZWWVQISY-NSHDSACASA-N	234.060	-0.162	50	10	BBGE	
CO[C@@]1(CN2CCC(B(O)O)CC2)CCOC1	2249350715	BGRJBSSMTUCFCO-LLVKDONJSA-N	243.112	-0.269	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2249383198	MHWKRZYROAXUOM-WCBMZHEXSA-N	241.096	-0.266	50	10	BBGE	
CCCC1CN(C(=O)c2cocc2B(O)O)C1	2249412670	ZDZDKFGALGMBCO-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1cc(B(O)O)co1	2249418722	XUABERSYRMOGAV-SECBINFHSA-N	235.048	-0.368	50	10	BBGE	
COC1CN(C(=O)c2ccc(B(O)O)c(C)c2)C1	2255508568	BDJVUVRYGTUHJP-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2255668655	CLRKOKZRLGBPHZ-VIFPVBQESA-N	249.075	-0.004	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CNc2ccccc2C1	2255670980	KWIWHILFBYKCDA-JTQLQIEISA-N	244.059	-0.845	50	10	BBGE	
C=CCC1(NC(=O)c2ncccc2B(O)O)CC1	2255714982	YXCXAHIORYRSOV-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
C#CC1CCN(C(=O)c2cc(B(O)O)co2)CC1	2258154058	AUNLQDRRVVQBBD-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
CN(Cc1ccnnc1)C[C@H]1CC[C@H]1C(=O)NN	2261219333	FICAMGBCCWQSDN-GHMZBOCLSA-N	249.318	-0.076	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncon1	2298369064	HSMKCDGGNHETTJ-XVMARJQXSA-N	239.040	-0.848	50	10	BBGE	
NC[C@@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369858	HQEYYCLZZLBRHC-YSSBGUOXSA-N	238.096	-0.953	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H]1CN	2298370322	VRFVOZASWJOWBD-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H](O)C1)[C@H]1C[C@H]1B(O)O	2298370442	YNRYQJMPZPINGM-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)O	2298370470	ZJOXOZJFRSKKOE-QCBRBAQYSA-N	241.096	-0.531	50	10	BBGE	
CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2298371094	ZWCUXUWQWHWPQU-AXTSPUMRSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)[C@H]1C[C@H](B(O)O)C1	2298673822	YKQSJUXPPVBNHC-HFZCXGNTSA-N	239.080	-0.465	50	10	BBGE	
C#C[C@H]1N(c2cc(B(O)O)ccn2)CC1(C)C	2299564250	LVPQQKVYOMUJBF-SNVBAGLBSA-N	230.076	-0.391	50	10	BBGE	
COCCN(CCO)[C@H](C)CCCC(=O)NN	2302061173	QTDZBXDIHIVCQU-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)N2CC[C@H](B(O)O)C2)CO1	2303109873	VODRDNAZYNDLTI-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CN1C[C@H](CN2CC[C@@](C)(B(O)O)C2)OC1=O	2303131336	ATECKCCZNFQGAU-PSASIEDQSA-N	242.084	-0.624	50	10	BBGE	
CNCC[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303847140	DLUAHRGOPNVIRM-ZETCQYMHSA-N	241.075	-0.690	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3C[C@H]2C[C@H]3O)nc1	2312612178	FWMLXCBEOWXURX-MPKXCIJOSA-N	248.091	-0.667	50	10	BBGE	
OC[C@H]1C[C@@H](Nc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614504	RMUWSASUSVYRQY-TURQNECASA-N	248.091	-0.810	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@H](O3)[C@H]21	2312848002	DRJORRUNUNKYRA-TYCYOEEFSA-N	249.075	-0.974	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCc2nccn2CC1	2315508823	YDSVFWILFYOZPD-UWVGGRQHSA-N	249.318	-0.633	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317210761	FMRLTCSUNCWUGO-QPUJVOFHSA-N	247.059	-0.348	50	10	BBGE	
N#CC[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2320797180	UWRVNLHNUXANOW-QMMMGPOBSA-N	249.054	-0.360	50	10	BBGE	
CCN1CCN(C(=O)CCl)C(=O)C1=O	39055767	WVFSGNOCYSQSBQ-UHFFFAOYSA-N	218.640	-0.558	50	10	BBGE	
NNC(=O)CCN1C(=O)Cc2ccccc2C1=O	70153766	NRAZKOCLDPTYFD-UHFFFAOYSA-N	247.254	-0.409	50	10	BBGE	
COCCSC[C@@H]1CC[C@H](C(=O)NN)O1	82472389	GPKQMMXMKDBDIS-JGVFFNPUSA-N	234.321	-0.097	50	10	BBGE	
C[C@H](CSc1nc(N)cc(N)n1)C(=O)NN	82472910	NCWONFBLUGCHNT-SCSAIBSYSA-N	242.308	-0.641	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](N)C1	86313588	OOEFTGXVIFUSTF-CIUDSAMLSA-N	214.313	-0.576	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CCO1	86597634	ZOQJPFXTZUQKFO-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC(C)(Cn1cccnc1=O)C(=O)NN	86598096	JMUJUSMSCUIVHG-UHFFFAOYSA-N	210.237	-0.741	50	10	BBGE	
O=C(NNS(=O)(=O)C1CC1)C(F)(F)F	170776288	KRDLCCIJTRYVPW-UHFFFAOYSA-N	232.183	-0.338	50	10	BBGE	
Cc1csc2c(=O)n(CC(=O)NN)cnc12	222221033	POWRFBDRBYUHMO-UHFFFAOYSA-N	238.272	-0.244	50	10	BBGE	
CC[C@H]1C(=O)NCCN1[C@@H](C(=O)NN)C(C)C	223200189	KTCKAHIFVSJHRY-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](C)C1	232418848	ICBCNJYHHAFLRR-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](Oc1ccccc1CCO)C(=O)NN	235257044	AUCIXZZUGDWZMD-MRVPVSSYSA-N	224.260	-0.021	50	10	BBGE	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)C(F)F	236140111	AHLVEHIPXQKTIB-DMTCNVIQSA-N	247.650	-0.228	50	10	BBGE	
Cn1nnc(CNCCOCCCl)n1	236152244	DLRFMPAMNGILTF-UHFFFAOYSA-N	219.676	-0.445	50	10	BBGE	
CCCCCC(=O)N[C@@H](C#N)C(=O)NN	238249198	WZZZMBQRONPLLG-ZETCQYMHSA-N	212.253	-0.435	50	10	BBGE	
O=C1NN=C(O)C(=O)[C@H]1Br	238642412	PMXXEKRJARZYGN-PVQJCKRUSA-N	206.983	-0.680	50	10	BBGE	
N#Cc1cnn2cccc(C(=O)NN)c12	259839931	KRVPYHVQKCHAEV-UHFFFAOYSA-N	201.189	-0.191	50	10	BBGE	
O=C(CCl)NC(=O)NCC1[C@@H]2COC[C@@H]12	306931930	DTMYSWZTYKNTEN-BQBZGAKWSA-N	232.667	-0.057	50	10	BBGE	
Nc1nc(CCl)nc(N[C@@H]2COC[C@H]2O)n1	323704117	RKUZMCOHMUWOKJ-RFZPGFLSSA-N	245.670	-0.636	50	10	BBGE	
COC[C@H](OCC(C)(C)OC)C(=O)NN	379300523	PFXCLECDZPVEGQ-ZETCQYMHSA-N	220.269	-0.567	50	10	BBGE	
COc1cccc(C(=O)N2CCCC2)c1B(O)O	380774568	UQCVQYLASNELFU-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](O)C1(C)C	381561651	QMKHPFQLLVZRTK-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@@]1(O)C(=NNC(N)=O)CC[C@@H]1C(=O)O	384185694	JRIYTNCQDUWDTE-VHWMUFPASA-N	215.209	-0.744	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CCCC(=O)NN	384859176	IKZGDKURZMBXIH-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1cccc(F)c1	390210970	VDPJAPRUNBWZEV-UHFFFAOYSA-N	226.163	-0.078	50	10	BBGE	
CC(C)(CCN1CC[C@@H](O)C1)C(=O)NN	395625013	JFADHWBMEZSAAP-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
O=Cc1c(CC(=O)CCl)cccc1B(O)O	396070339	OWMZFXMOGVPDJE-UHFFFAOYSA-N	240.451	-0.471	50	10	BBGE	
COC(=O)c1ccc(B(O)O)c(CCC#N)c1	396141276	YZCITQZRVQKGEK-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
C[C@@]1(C(=O)Nc2cccc(B(O)O)n2)C[C@@H]1F	404964048	AWMQQCVDGMNSTD-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnc(O)[nH]1	404991926	DBJOWIJPSXMESI-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
N#C[C@@H]1CNN2C(=O)C[C@@H](CCl)N[C@H]12	575626731	JGQRVQHXWWULMC-CHKWXVPMSA-N	214.656	-0.600	50	10	BBGE	
CO[C@H]1CCCN([C@H](C)C(=O)NN)CC1	692063123	LONIDDNQBAAPPO-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCC1(O)CCN(CCC(=O)NN)CC1	707247385	ORYMNJGOQFSOEJ-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)C[C@@H](C)C1	707566449	DXQQFGSLBHLDQZ-OUAUKWLOSA-N	242.367	-0.116	50	10	BBGE	
O=C(CO)N/N=C/[C@@H]1[N]C(Cl)=CS1	725545327	KLPJARZFXIAUNY-NBNOTSGTSA-N	220.661	-0.204	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C	770573381	XWDXCPYXHLDPKI-RNFRBKRXSA-N	231.321	-0.073	50	10	BBGE	
CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)C#N	852644758	UUCSUQPHPPIGLQ-QMMMGPOBSA-N	238.291	-0.222	50	10	BBGE	
Cc1nc(F)ccc1C=NNC(=O)C(N)=O	1116815654	VUAXWGPZQKAFEH-UHFFFAOYSA-N	224.195	-0.535	50	10	BBGE	
C#Cc1cncc(C(=O)NNc2cnnn2C)c1	1161392017	UZEXLUZYNJWFCN-UHFFFAOYSA-N	242.242	-0.052	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc(C#N)nc1	1161392094	YQHAPDBIKGGMRH-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	1299011729	XBNKKIDEVLFLFN-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
N#CCCCCC(=O)NNC(=O)c1cnn[nH]1	1616393392	ZQIBLMQOHLBTAD-UHFFFAOYSA-N	236.235	-0.350	50	10	BBGE	
Cn1nncc1NNC(=O)C[C@H]1CCOC1	1638741022	ZWUSNAYYTARIQX-SSDOTTSWSA-N	225.252	-0.315	50	10	BBGE	
Cc1sccc1C(=O)NNC(=O)CO	1641423971	JTGKSWLYDRUADU-UHFFFAOYSA-N	214.246	-0.190	50	10	BBGE	
COC[C@H]1C[C@H]1C(=O)NNC(N)=S	1882997941	RTURWBSJCARUHD-RFZPGFLSSA-N	203.267	-0.867	50	10	BBGE	
NNC(=O)COCCOC(CF)CF	1886032443	AHVBZLKGRCQXFO-UHFFFAOYSA-N	212.196	-0.683	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CCO[C@@H]2C1	1895093691	QJCDYSNDPHNYBB-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@@H]1F	1895381595	INULINWGEKPAIA-SVRRBLITSA-N	223.012	-0.337	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCC[C@@H]1C[C@@H]1C(=O)NN	1900535805	WVROIYQISXNKFB-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
C#CCCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	1900770537	PEZOOTMTDRDCOD-UWVGGRQHSA-N	226.276	-0.046	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@]1(C)COCCO1	1900892886	NAXPRCLUFTYBDN-PSASIEDQSA-N	232.280	-0.423	50	10	BBGE	
NC(=O)C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1Cl	1902758302	NQRWSESOXHDGJI-PRJMDXOYSA-N	245.710	-0.711	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	1903005454	HESQZLVKCNIOFH-YUMQZZPRSA-N	226.016	-0.900	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CCCN2C1=O	1906993582	HYONMECCBJUSOM-RNFRBKRXSA-N	240.263	-0.819	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCCCO2)O1	1909808217	LMWJANCDRSKLLO-ZJUUUORDSA-N	243.307	-0.059	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncccc2B(O)O)CCO1	1911420359	OKCBYKBNBNKUAL-BDAKNGLRSA-N	237.064	-0.292	50	10	BBGE	
CC[S@@](C)(=O)=NCC1(C(=O)NN)CC1	1913893211	GQMUVHCGLYUWSW-CQSZACIVSA-N	219.310	-0.126	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923440522	RBDHUPPFSBYHLI-ZCFIWIBFSA-N	228.170	-0.143	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCC[C@@H](C1)OC2	1925088899	FYVDKMFZZXWQDY-RCOVLWMOSA-N	229.305	-0.190	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CO)C1	1929741080	APQXPMXJVQERQM-MRVPVSSYSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCO2)C1)C(=O)NN	1932812796	STXWFTAJONKYCT-SCZZXKLOSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN1CCn2nccc2C1)C(=O)NN	1936149433	NOXXYDZQJPVIBW-MRVPVSSYSA-N	223.280	-0.675	50	10	BBGE	
N#CC1(O)CCN(CC2[C@H]3CNC[C@H]23)CC1	1937398955	MXNPDWJGJXRVMW-UWVGGRQHSA-N	221.304	-0.198	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)C[C@H]1C	1939637812	JTHZMWKFIGYMLH-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H]1CC(O)C2	1941079767	QRNLXBSAORKTEJ-UYAYMFIHSA-N	239.319	-0.400	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941289301	WOGRFRDFDPDJLV-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)[C@H](C)C1	1941784903	WLTAPGBDEQHESJ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1C(N)=O	1942614805	ARPMUAGISWVVKB-HLTSFMKQSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)NC(C)(C)C1	1945293680	NRSDNKNMKGHQAS-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@H](C)C#N	1954219932	QKYZTXUBDJLPFU-RXMQYKEDSA-N	205.239	-0.883	50	10	BBGE	
O=C(CCl)N1CC(N2CCOCC2)C1	1956733690	RFMLGJYVTJTEHP-UHFFFAOYSA-N	218.684	-0.232	50	10	BBGE	
O=C(CC1CCOCC1)NNCCO	1956765254	MJOHEAYGSMTVIQ-UHFFFAOYSA-N	202.254	-0.584	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC12CCC2	1957699596	PAOBVNMATDCPHN-SSDOTTSWSA-N	211.265	-0.327	50	10	BBGE	
C[C@@H](O)CN1CCN(C[C@@H](O)CCl)CC1	1961276671	VEZVQKXWBVQCMX-ZJUUUORDSA-N	236.743	-0.416	50	10	BBGE	
CC(C)(CN1CCO[C@H]2C[C@@H]21)C(=O)NN	1961507569	BSVNQCJIWJVSGG-YUMQZZPRSA-N	213.281	-0.524	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1CCCC(=O)NN	1961554186	SMAMSTOQHBNXKA-VXJOIVPMSA-N	233.337	-0.791	50	10	BBGE	
OB(O)c1ccc(OC2CC=CC2)nc1	1961712755	OGWPMCHEUSEACK-UHFFFAOYSA-N	205.022	-0.141	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1964511075	VEKFKUIQCNWAJT-DTWKUNHWSA-N	226.085	-0.844	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]1CO	1975111757	WHQFZSJGXNGIAS-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
Cc1nc(CN(C)CCCC(=O)NN)no1	1976749677	PMIIHLASVVXOTO-UHFFFAOYSA-N	227.268	-0.420	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CC[S@@]1=O	1981188923	SGGOPYYFDUUQJL-FVMDXXJSSA-N	247.364	-0.401	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3C[C@H]32)nc1	1981412213	SEBOZBORERZQCS-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cn2)c(C)n1	1981466015	SXEFTVMPSCEPOT-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CN(CCOCC(=O)NN)[C@]1(C)CCOC1	1982705276	QLAQCDIZMQIXCC-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@]1(C)COC	1982944324	LGNKHUMSPSMBME-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1	1986840847	NASWMPLSPLMEKX-CSMHCCOUSA-N	246.694	-0.270	50	10	BBGE	
OB(O)c1cc(F)cnc1S[C@@H]1CCOC1	1988011852	CFNRYGFMFSRUPR-SSDOTTSWSA-N	243.068	-0.219	50	10	BBGE	
COC[C@@H]1CCN(CCCC(=O)NN)C1=O	1990100491	RORQYTOBPMACRJ-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(CNC(=O)C2)C1	1991709662	MWWYBZYPKKFGCA-OWOJBTEDSA-N	242.662	-0.344	50	10	BBGE	
C=C(CN(C)Cc1cnn(CC)n1)B(O)O	1992145090	HXBLELDXVMVRMQ-UHFFFAOYSA-N	224.073	-0.702	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@H]1[C@@H]2CCl	1993991954	KRDDUCJAFKYJPR-PRJMDXOYSA-N	241.682	-0.241	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999849046	WZHRDGMFFYTTES-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(=O)NCC1(C)C	2006926073	SIJPMDQZBKVJEB-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COC[C@@H]2C1	2008872697	DCFQYVYVPOVILD-YUMQZZPRSA-N	249.261	-0.420	50	10	BBGE	
CC1(CO)CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010832361	HNHPPQCNCBMCFD-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
COCCN(C1COC1)[C@H](C)[C@H](C)C(=O)NN	2018182713	SQNOHVQPQQKOOM-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C(=O)CO1	2018698929	VNLRZGWDFAPLOC-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCCOC1	2019210306	MTKWJYMSECXOHT-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
Cc1nc(N2[C@@H]3COC[C@H]2C3)ccc1B(O)O	2021409167	ONMPIXLOTOIXCD-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1ccccc1B(O)O	2022196260	JSMVDIVUAQMYNY-MRVPVSSYSA-N	232.048	-0.602	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](OCCCO)C1	2026093316	FYNHJEBPZOFDQD-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2026820917	QIHLPMCECIQEHM-SYFWFRMHSA-N	232.048	-0.810	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2ccncn2)c1	2029098852	XJRNGXDBDCMGHC-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(N1CCC1)N1Cc2ccc(B(O)O)cc2C1	2043145980	MXMMLHPSYSBBJK-UHFFFAOYSA-N	246.075	-0.492	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@H]3C[C@H]3CO2)c1	2058907725	VUIDIKPPJCDZIP-AUTRQRHGSA-N	249.075	-0.435	50	10	BBGE	
CCc1c(B(O)O)cc(F)cc1[N+](=O)[O-]	2060090351	ZWISGRJYAKINPO-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@H](C(=O)NN)c1ccccc1	2062248784	YRJITVVTOXZIRU-ADEWGFFLSA-N	249.314	-0.175	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCC[C@H](O)[C@H]1O	2210148116	ZQUQHLGCXFJVRB-FWWHASMVSA-N	247.678	-0.302	50	10	BBGE	
O=c1ccn(Cc2nscc2B(O)O)cc1	2211135816	MCPDMWRPVWRRIT-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
OB(O)c1csnc1CN1[C@H]2CCC[C@@H]1C2	2211137032	ZVDBLZWDOPNDLV-OCAPTIKFSA-N	238.121	-0.050	50	10	BBGE	
C=C(CN1CC(OC(F)(F)CF)C1)B(O)O	2211915780	WQOBMUBAXPJCEP-UHFFFAOYSA-N	239.002	-0.182	50	10	BBGE	
Cc1cnc(N2CC[C@H](C)C2)cc1B(O)O	2212602960	BBUGWAQMKNYOHG-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@H]32)cc1B(O)O	2212606269	RGPBALQMOBNRRT-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H](O)C1	2212610841	PUYIBLILKAGNTA-YUMQZZPRSA-N	222.053	-0.913	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)ccn1)[C@H](C)O	2212614904	IDMUTSASLYRHRG-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
CCCC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1	2212760042	ZZPSSKGFMISLBL-UHFFFAOYSA-N	242.471	-0.425	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCC[C@@H]1O	2212900827	RLBYKVVSTUNJSL-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C1(CN2CCC(O)CC2)CCCC1	2216871326	MZSFETQKCLNKAD-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCCO1	2217177176	GKIVFTWXMGNYFY-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cccnc1NCc1ccncc1	2217177639	LGTPTRWPBCDNJD-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
OB(O)c1cnc(NC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2217180823	LCYCPDWSWJNPFW-FNCVBFRFSA-N	231.064	-0.777	50	10	BBGE	
Cc1cnc(N[C@@]23COC[C@H]2C3)cc1B(O)O	2217181332	ONKZQZHFHJKDBV-KCJUWKMLSA-N	234.064	-0.729	50	10	BBGE	
C[C@H](N)CC(C)(C)Oc1ncccc1B(O)O	2217184716	REIJNYRLHUGVOE-QMMMGPOBSA-N	238.096	-0.344	50	10	BBGE	
CCC[C@H](CCN)Oc1cc(B(O)O)ccn1	2217190852	AEDJEOFHGRFLHF-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCC1CCCC1	2217411566	VJYKSYCALDKHMI-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CC(C)(C)CCCn1cc(B(O)O)cnc1=O	2217411974	ARELEONWYALLRA-UHFFFAOYSA-N	238.096	-0.251	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@H]2CC[C@H]1N2	2223625796	KIERDUMYBWSHDO-FXPVBKGRSA-N	248.091	-0.719	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@@H]1CN	2223633837	BTHFZRJSRGYGQV-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
NCC[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2223673641	GWXWYOCZDXUQLM-NXEZZACHSA-N	249.123	-0.309	50	10	BBGE	
CCN(CCOC)C(=O)C1(B(O)O)CCC1	2243347804	QFEYCEGDRVQPFU-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)o2)C1	2243357098	RDISPZXTQVMRJN-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
COC[C@H](C)NC(=O)c1ccsc1B(O)O	2243359288	QGAJJGCNJUUJOW-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
O=C(NC[C@@H]1C=CCN1)C1(B(O)O)CCC1	2243363976	PJIWAVVQGFPUIR-QMMMGPOBSA-N	224.069	-0.972	50	10	BBGE	
C[C@H](CCCO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243381342	FIUHZSOUNJMGAV-HRDYMLBCSA-N	229.085	-0.626	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2243382733	RCNYUCHSOZBMJO-JFFSLAIJSA-N	221.065	-0.284	50	10	BBGE	
O=C(N1C[C@H](F)C[C@@H](F)C1)C1(B(O)O)CC1	2243408804	VOOPLYIOQMKZGO-RNFRBKRXSA-N	233.023	-0.098	50	10	BBGE	
C[C@H](COC(F)F)NC(=O)[C@H]1C[C@@H]1B(O)O	2243425677	AUSKTWBOWUYCIZ-SRQIZXRXSA-N	237.011	-0.407	50	10	BBGE	
CNC(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243427096	QICNIJYLWKLBKZ-ZKCHVHJHSA-N	228.101	-0.646	50	10	BBGE	
O=C(C[C@H]1CC=CCC1)NCC#CB(O)O	2243665020	PAPBGVCVWGYFHO-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NCCC#CB(O)O)O1	2244547012	UPHWYIMESQLSBI-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1coc(B(O)O)c1	2247734391	SXBBGSYUCPXABB-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccc(B(O)O)o1	2247740740	OTBITPANGLPQNK-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CCCN(C(=O)c1ccoc1B(O)O)C1CC1	2247740992	SJMFGXHTAQULIJ-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(Nc1cccnc1)c1cc(B(O)O)c[nH]1	2247743684	HPFICFCBMHSQQU-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247756213	RYGNVKBENLHJFQ-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccc(B(O)O)cn1	2247769734	LJHGICKZRVHVHG-UHFFFAOYSA-N	238.027	-0.683	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788130	ZROOWVQVZHRSJB-QEYWKRMJSA-N	243.112	-0.239	50	10	BBGE	
CCN(CC(=O)OC)C(=O)C1CC(B(O)O)C1	2247797118	GHSWJFUNDKVJHP-UHFFFAOYSA-N	243.068	-0.739	50	10	BBGE	
Cc1cccc(CNC(=O)C#CB(O)O)c1O	2247850150	KOYWPYUZENUPOO-UHFFFAOYSA-N	233.032	-0.668	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)C1(B(O)O)CC1	2247879978	XCIRSBREFGRQCT-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(n2ccnc2)C1	2247900138	UGNMVZJYWPMGIB-IUCAKERBSA-N	235.052	-0.871	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2248588041	YHHLQDDIOAMBIB-BQBZGAKWSA-N	241.052	-0.543	50	10	BBGE	
CC1(C)CCCN1C(=O)c1cocc1B(O)O	2249424212	PMIKNKBSXMXSMW-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CCOCCN(C)C(=O)c1cocc1B(O)O	2249433107	HSKHTJRPSGEIGB-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCC#CB(O)O	2250002968	RCKNOPYQDIMOPW-VPOLOUISSA-N	235.092	-0.200	50	10	BBGE	
COCc1ccc(NC(=O)C#CB(O)O)nc1	2250524653	VXYTVGYUIKFPTG-UHFFFAOYSA-N	234.020	-0.818	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@H](C(=O)NN)C1	2251035050	SRUMPORRMBCTNT-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1CO)[C@@H]1C[C@@H]1B(O)O	2251442696	KNONLKBGVBFAKH-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)CC=CCN1C(=O)c1cc(B(O)O)c[nH]1	2255461901	NYCPDJFXPRXLPS-UHFFFAOYSA-N	248.091	-0.125	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NC1(C)CC1	2255567576	ZXFVKXQBDASANF-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1C[C@H]2C[C@@H]2C1	2255723824	JMKYLIDCFUWRTB-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@@H]32)cc1B(O)O	2255731093	ZZHHRGZBXFGMEZ-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
N#CCCN(C(=O)c1cc(B(O)O)co1)C1CC1	2258138728	NMAGOKVQAQWZSP-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
O=C(N[C@H]1CC[C@@]12CCCO2)[C@H]1C[C@H]1B(O)O	2298369434	UPSDQAITGDVIIC-DKIAZLNASA-N	239.080	-0.323	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370877	PQMQKKJKAWTMQU-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@H]1CC(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376324	RULIRTKRMBDHGT-DJLDLDEBSA-N	239.080	-0.120	50	10	BBGE	
CC[C@H]1CCOCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298377061	CHVATCSPXIAWBY-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC([N+](=O)[O-])C1	2300400392	RVKMDCUXSDOPQT-VXNVDRBHSA-N	242.279	-0.647	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H]2C[C@@H]21	2301341798	SVJOQZGURAWLOG-UFBFGSQYSA-N	228.060	-0.163	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303110662	BYPFCLIOLOQXSD-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CN1CC(CN(C)C)C1)C(=O)NN	2303427027	UPNAJTXGXSZGOU-GFCCVEGCSA-N	242.367	-0.114	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2ccoc2B(O)O)CC1(C)C	2314514612	VQJBAMBSKGVWFW-VIFPVBQESA-N	247.059	-0.557	50	10	BBGE	
COC(=O)CCNC(=O)NC(=O)CCl	41041465	OUWYRAKNPAMFLL-UHFFFAOYSA-N	222.628	-0.386	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](CC(C)C)C(=O)O	43442669	BJABTJRYGUDKFA-MRVPVSSYSA-N	245.279	-0.757	50	10	BBGE	
NNC(=O)CCCC(=O)N1CCOCC1	58839552	JHIYHGLPGFCLAU-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
O=S(=O)(CCl)N1CCn2cnnc2C1	81528956	JBXQPBYSWWZNLD-UHFFFAOYSA-N	236.684	-0.380	50	10	BBGE	
C[C@@H](CN1CCCN(C)CC1)C(=O)NN	82466534	KMUNSLXWAJSJOP-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
CN(C)C[C@@H]1CCCN1CC(=O)NN	82468624	DAMZFLFXKNEAGF-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CCCO1	82469310	PIWHZTPAZZWDKL-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)N(CCO)CC(C)(C)C(=O)NN	86597977	SWFULMHQRYGARD-UHFFFAOYSA-N	217.313	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	86933493	NJWXCFXCEBNLEM-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CNCCCN(C)[C@@H](C(=O)NN)C(C)C	87472916	PUBRCVQSMGCMRN-SECBINFHSA-N	216.329	-0.458	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)NN(C)C)C1	149131774	CSLHUZGAEVEUKQ-RQJHMYQMSA-N	231.252	-0.654	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	156623193	CDQGAWZXTUDQCS-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
O=c1nc[nH]c2c1ncn2CCCCB(O)O	195760394	DDEFNJCMSJYKPN-UHFFFAOYSA-N	236.040	-0.627	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](O)C1	216482286	GRPUHIGHVKRLDF-RKDXNWHRSA-N	215.297	-0.542	50	10	BBGE	
CS(=O)(=O)N1CCCCC[C@@H]1CC(=O)NN	217988157	MKBNSEFREPECKV-MRVPVSSYSA-N	249.336	-0.429	50	10	BBGE	
CS(=O)(=O)c1ccc([C@@H](N)C(=O)NN)cc1	258986053	KJSCIMSDEDYJKA-MRVPVSSYSA-N	243.288	-0.920	50	10	BBGE	
O=c1cnccn1C[C@H](O)CBr	306384948	BVXNQMGAGWLRFG-ZCFIWIBFSA-N	233.065	-0.001	50	10	BBGE	
Nc1csc2ccc(O)c(B(O)O)c12	306812963	BILNAIVFWHRFMS-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1ccc(F)c(C(F)(F)F)n1	307205672	HOYJPXARCQKBTO-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CN1CC(CNC(=O)NC(=O)CCl)C1	307562359	KRFBDXPBZUEMJO-UHFFFAOYSA-N	219.672	-0.387	50	10	BBGE	
O=S(=O)(CBr)N[C@@H]1C[C@@H]1CO	307761314	YWBDBWJZZBYDLA-RFZPGFLSSA-N	244.110	-0.361	50	10	BBGE	
CC(=NNC(=O)c1cnn(C)c1N)N(C)C	309211817	HERWOTWEWPQAAH-UHFFFAOYSA-N	224.268	-0.373	50	10	BBGE	
CN1CC[C@H]2CN(CCC(=O)NN)C[C@H]2C1	309338112	KKPKSRUPLDIFMP-VHSXEESVSA-N	226.324	-0.750	50	10	BBGE	
O=C(CNCCO)NNC(=O)c1cccs1	309563792	KFUBJCFYKSAMJN-UHFFFAOYSA-N	243.288	-0.909	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)[C@H](C)Cl)C(N)=O	379250790	FFPZFLQDGMHTFL-CRCLSJGQSA-N	235.671	-0.297	50	10	BBGE	
CCCC1(O)CN(CC(C)(C)C(=O)NN)C1	384192156	ZSQHCXBTEDUSBI-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(CCCCl)C1	389294140	FGTNKGIRURLWBM-VIFPVBQESA-N	220.700	-0.073	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)cc1	584991592	CYDUETJWOARJIO-BDAKNGLRSA-N	233.076	-0.153	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@H](C)[C@@H](C)C(=O)NN	689809074	FDHLFJIBFWDLBC-KKZNHRDASA-N	247.339	-0.670	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCC[C@@H]1O	689815149	JGCIOYUMBJDPGF-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CN(C)C[C@@H](Cl)CN(C)Cc1nnn(C)n1	690171611	OIWUFGHAIJEOMR-MRVPVSSYSA-N	246.746	-0.189	50	10	BBGE	
OB(O)c1ccn(CC#Cc2ccccc2)n1	694310409	SHCSJUSKJMLRIR-UHFFFAOYSA-N	226.044	-0.385	50	10	BBGE	
Cc1nccnc1CN(C)CCCC(=O)NN	700079363	UOLCOECXZGFGRA-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)Oc1ccccc1	700278967	QHDHYOKZPJONTQ-QMMMGPOBSA-N	237.259	-0.440	50	10	BBGE	
NC(=O)N[C@H]1CCN(C(=O)CCCl)C1	700655531	YCQNVPYXLAYIPV-LURJTMIESA-N	219.672	-0.116	50	10	BBGE	
O=C(/C=C\c1cccnc1)NCB(O)O	701932516	PYFMEXBZCDKMTH-ARJAWSKDSA-N	206.010	-0.777	50	10	BBGE	
C[C@H](C(=O)N(C)C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423728	BVKYWAAAAZMVDS-CSMHCCOUSA-N	240.259	-0.621	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CCOC[C@@H]1O	706727863	WJIYBRYHSKOSOH-BQBZGAKWSA-N	243.712	-0.706	50	10	BBGE	
CN(CCn1cnnc1)C[C@@H](Cl)C(=O)O	707596503	SVQUBZCQGWXVOF-SSDOTTSWSA-N	232.671	-0.098	50	10	BBGE	
N#Cc1cnn(Cc2cnc(C(=O)NN)s2)c1	711348816	SYHVRNXGXCFPOW-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
CNC(=O)N1CCc2cccc(B(O)O)c21	712162340	NHVACTKXIBGPHK-UHFFFAOYSA-N	220.037	-0.932	50	10	BBGE	
O=S(=O)(CCCl)NCC1(CO)COC1	717614557	XONCVPRFAWGKII-UHFFFAOYSA-N	243.712	-0.847	50	10	BBGE	
CN1CC[C@@H]2CC[C@H](C1)N2CCCC(=O)NN	718900379	BSEUNJZLBGHSGO-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cn1ccnc1	768410088	PBOWBZHTTPGMCP-UHFFFAOYSA-N	225.252	-0.424	50	10	BBGE	
C[C@H](NNC(=O)[C@@H]1COC(=O)N1)C(F)(F)F	862321155	YZWVCSCBWNYKMW-IMJSIDKUSA-N	241.169	-0.334	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1nnc(C2CC2)o1	910139965	VTRCHQVOTDGIAY-ZCFIWIBFSA-N	240.263	-0.096	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)[C@H]1COCCO1	1465562960	CRQONGBDARSLPB-ZBJFTSOASA-N	240.259	-0.319	50	10	BBGE	
CN(NC(=O)c1cnc2c[nH]nc2c1)C(N)=O	1566497279	PCGHJWPOPQUZML-UHFFFAOYSA-N	234.219	-0.387	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cc[nH]n2)no1	1584321861	FUGZTJSNTPWETJ-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC(C)(C)C(N)=O	1625424367	SUZORCXOTDZRPQ-VOTSOKGWSA-N	225.248	-0.190	50	10	BBGE	
CC(C)(N)[C@@H](O)C(=O)NC1CC(Cl)C1	1884550566	HIZQUUQFVWFEJT-AHXFUIDQSA-N	220.700	-0.029	50	10	BBGE	
O=C(F)N1CC(O)(C(F)(F)C(=O)O)C1	1887187091	WWCKOEVTBOWUHW-UHFFFAOYSA-N	213.111	-0.158	50	10	BBGE	
OCCCCCN1CC[C@@H](B(O)O)C1	1891560364	RRCRQXYNJFMWQD-SECBINFHSA-N	201.075	-0.302	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)C1CC(Cl)C1	1893481574	ILSXUJGIKNFEFI-CRYROECRSA-N	218.684	-0.547	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N(CCO)CCO	1893498627	WKKSESVLLASBKU-OWOJBTEDSA-N	221.640	-0.879	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2C[C@]1(CO)C2	1900067546	CJOMGFLPGBSXDE-JGZJWPJOSA-N	227.308	-0.397	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C[C@@H]1CCN1	1901377052	JNGAHQZOEBYMBM-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
O=C1[C@H](F)CCN1C(=O)C1(B(O)O)CCC1	1901659211	RWPNSKFWSDVUFQ-ZCFIWIBFSA-N	229.016	-0.520	50	10	BBGE	
CN(NC(=O)c1ccc(CO)o1)S(C)(=O)=O	1901877805	RMLFSXXNLZCXJL-UHFFFAOYSA-N	248.260	-0.692	50	10	BBGE	
CN1CC[C@H](CN2CC[C@@](C)(B(O)O)C2)C1	1902551732	SQONWTJKNNRPKJ-WDEREUQCSA-N	226.129	-0.123	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]2C(F)F)n1	1902638646	FENHFRIVZYDFKR-RXMQYKEDSA-N	248.063	-0.338	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)C1(B(O)O)CC1	1904695158	NUASXNPRCBUTHO-MRVPVSSYSA-N	228.101	-0.598	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)C[C@@H]1C#N	1914894771	KKERHUKKCZIXDR-ZETCQYMHSA-N	237.712	-0.348	50	10	BBGE	
OCC1(CO)CN(CCOCCCl)C1	1914991271	JLTXDAXZYUZFBL-UHFFFAOYSA-N	223.700	-0.472	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@@H]1CO	1927918290	QVMGKMXQYBKHTI-HLTSFMKQSA-N	213.281	-0.931	50	10	BBGE	
C[C@@H]1CCCN(CCOCC(=O)NN)C1	1928180291	ZFIWSKIRGLTTPQ-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H](N)CSC[C@H]1C[C@@H]1C(=O)NN	1931384719	HINZCBDMXMHQJJ-QYNIQEEDSA-N	203.311	-0.307	50	10	BBGE	
O=S(=O)(CCCl)N1CC(CCO)C1	1932111817	OLAHPLXJWJKQAW-UHFFFAOYSA-N	227.713	-0.131	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1COC[C@@H]1Cl	1933393181	VAPQQNIZPUHZTP-WDSKDSINSA-N	217.660	-0.702	50	10	BBGE	
Cc1nnc(SCC2(C(=O)NN)CC2)n1C	1938260878	WIDUEKHAGHWRJE-UHFFFAOYSA-N	241.320	-0.014	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1C(=O)N(C)C	1940305794	ZFXYCNYVPLHMNS-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
CN(C)C1[C@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@H]12	1941095623	ZFWDPBMLSXLSBT-JXUBOQSCSA-N	238.335	-0.896	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1	1945891626	HPGBMWQKAJDQSJ-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC2(CCC2)C1	1946408766	NLCNBCYQEUGMPZ-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
COC(=O)C1CN(C[C@H](O)CCl)C1	1954204420	VIBKESTUOBRPES-SSDOTTSWSA-N	207.657	-0.309	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@@H](C)C#N	1954219933	QKYZTXUBDJLPFU-YFKPBYRVSA-N	205.239	-0.883	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)[C@H]1COCCO1	1955461065	CVLNYHSDWGIOOT-RNFRBKRXSA-N	243.712	-0.094	50	10	BBGE	
Cn1nnnc1N1C[C@H](Cl)[C@@H]2COC[C@@H]21	1958114064	ZOFCTKMNELZJKL-ACZMJKKPSA-N	229.671	-0.348	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2C[C@@H](O)C[C@@H]2O)C1=O	1960150240	RIARLVLLJDRQQO-ODXREFDESA-N	233.695	-0.042	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	1960271104	AKPQMIMKUXJBJQ-JEZHCXPESA-N	213.281	-0.931	50	10	BBGE	
CCC1CN(c2ncccc2B(O)O)C1	1961697889	ZIGXYCIYLDELKK-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1962372530	GGOPBPJTKJKUGF-FFFMOYHASA-N	233.695	-0.044	50	10	BBGE	
CC[S@@](=O)N[C@H](C)c1cc(B(O)O)cs1	1974922973	NLECBEYPCLRUJO-NPMWZIQKSA-N	247.150	-0.238	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@H]1C[C@@H]1C(=O)NN	1979615128	DCFWGGLVVYGXOK-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@H]2C1	1981421636	CGGXPXRPUWGJMS-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@H]2C)ncc1B(O)O	1981446343	XGYDAYCYYNQSDZ-HTRCEHHLSA-N	221.069	-0.691	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2COC[C@@H](C2)C1	1988181550	TZXRIHLIBZJOAO-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CC(C)=C(C)Cn1cc(B(O)O)ccc1=O	1989650963	ACJGSMQDZSCVGA-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
Cc1coc(S(=O)(=O)NCC=CB(O)O)c1	1991328295	SWOFAVDIKLLSEN-UHFFFAOYSA-N	245.065	-0.565	50	10	BBGE	
C[C@@]1(C(=O)NCC=CB(O)O)CCCOC1	1991335750	ZLKNPNKFSRDDRF-SNVBAGLBSA-N	227.069	-0.513	50	10	BBGE	
OC[C@H](O)CN1CCN(C[C@@H]2C[C@H]2Cl)CC1	1991451370	KJNDUXXESKQMEM-HBNTYKKESA-N	248.754	-0.416	50	10	BBGE	
NC(=O)C1(N)CCN(C(=O)[C@H]2C[C@H]2Cl)CC1	1991680627	RYCUTCMCCJGRRH-NKWVEPMBSA-N	245.710	-0.581	50	10	BBGE	
N[C@]1(C(=O)O)CCN(C(=O)/C=C/C(=O)Cl)C1	1991714353	FQPOKDOSLCFTST-GPYPMJJRSA-N	246.650	-0.678	50	10	BBGE	
CCN1CCN(CCCCC(=O)NN)CC1=O	1996755557	FRCHCKPXSLNYJI-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
Cc1ccnn1Cc1nn(C)cc1C(=O)NN	2003505372	AKPPHBHJIGTZSY-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
Cc1cc(C)n(C2CN([C@@H](C)C(=O)NN)C2)n1	2004368147	AMINOXCHANYKGI-VIFPVBQESA-N	237.307	-0.265	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCOC(C)C)n1	2004930711	FIINUHKODGKNJG-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H]2CO)o1	2007494715	AOCKOOZKXHVQEB-QMMMGPOBSA-N	237.259	-0.384	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@@H]1CCCO1	2008841218	XNKKIFUPMZKKIP-JTQLQIEISA-N	237.064	-0.903	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CO[C@@]2(CCOC2)C1	2009144837	SRRFJHVXJSBDBW-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@H](C(=O)NN)C1	2010835708	RIDKVMFLECQUMU-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CO[C@]1(CN(C)C[C@H](C)C(=O)NN)CCOC1	2013416346	WCJROTFVPXZSHH-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
COC[C@H](C)CCn1cccc(B(O)O)c1=O	2014201836	DUAAGUCNJSSRPL-SECBINFHSA-N	239.080	-0.799	50	10	BBGE	
CN(C)C(=O)NCCc1ccccc1B(O)O	2014350294	UJTAGDGZOIKJMS-UHFFFAOYSA-N	236.080	-0.820	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H](CF)C1	2014925925	HEBKIJPLCKZXNM-ZETCQYMHSA-N	242.034	-0.304	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](CO)C12CC2	2016080015	KOLSPHFMGCVFCB-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCC12COC2	2020928535	JFQZPPDVNMSZSC-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
Cc1cc(CN(C)CCCC(=O)NN)ncn1	2025896247	VLXYKFYUSYLOPK-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2[C@H]3COCC[C@H]32)c1	2032790669	UFVXEWUIWQPEIL-GRYCIOLGSA-N	249.075	-0.577	50	10	BBGE	
Cc1cc(NC(=O)CC2COC2)cc(B(O)O)c1	2056493736	MQGQXEWUZDRKHF-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(C)cc1B(O)O	2060032784	ZCVGLLLQBNCPNL-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1c(B(O)O)ccc(C)c1C=O	2060136744	GYVPJAATJCVYFO-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)cc1C=O	2060184946	DQQPIOXGHGFLND-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
Cc1cnc(NC2CC(O)C2)cc1B(O)O	2212605907	LSVKIOTWSFBATE-UHFFFAOYSA-N	222.053	-0.995	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC(C)(C)O	2214597588	XKGVMTAGOJDFAC-UHFFFAOYSA-N	237.108	-0.431	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Oc1ncccc1B(O)O	2217167121	QRTMGYPYOUFSFO-ZJUUUORDSA-N	236.080	-0.590	50	10	BBGE	
C[C@]1(N)CCC[C@H]1Oc1ncccc1B(O)O	2217171896	GSNYWCFMXNJNPF-KOLCDFICSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)CO1	2217176066	QWMXTGQNMFKJLG-VXNVDRBHSA-N	237.068	-0.864	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2217179122	GRCXMQUQMZOFRV-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
OCC[C@H](Nc1ncccc1B(O)O)C1CC1	2217179547	MHYSCRRTKNHEIT-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CC1(C)CC(CN=c2ncc(B(O)O)c[nH]2)C1	2217185131	UGIXMWHCAFVZEE-UHFFFAOYSA-N	235.096	-0.574	50	10	BBGE	
CC[C@H](N)CCOc1nccc(B(O)O)c1F	2217193638	NXCNHTVWMOCHHU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
CCC[C@@H](COC)Nc1ncc(B(O)O)cn1	2217199100	AOLOBDAOXMHESN-VIFPVBQESA-N	239.084	-0.617	50	10	BBGE	
Cc1cc(O)cc(C(=O)NCC=CB(O)O)c1	2217399937	XHMODQOMFCHQIN-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
C[C@H]1COCC(=O)N1Cc1cccc(B(O)O)c1	2220065546	ZTZQLAOWLKLBFT-VIFPVBQESA-N	249.075	-0.886	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H](C)N1	2220067294	UZXWLEMOHJDOKU-QWRGUYRKSA-N	248.135	-0.451	50	10	BBGE	
Cc1nc(OC[C@@H]2CC3CC2C3)ncc1B(O)O	2222317873	XIYWBGIRWWOYOJ-RTBKNWGFSA-N	248.091	-0.110	50	10	BBGE	
CC(C)Oc1cnn(-c2cc(B(O)O)ccn2)c1	2223616400	SSQZQXIPCSOHCP-UHFFFAOYSA-N	247.063	-0.266	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@H]2CN)cc1B(O)O	2223643443	VVEBDRDZCQSOSI-GXSJLCMTSA-N	249.123	-0.391	50	10	BBGE	
Cc1cnc(N[C@@H]2CCNC23CC3)cc1B(O)O	2223643625	YAHVLRXUGNVJOU-SNVBAGLBSA-N	247.107	-0.624	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N)C[C@H]2C)cc1B(O)O	2223648254	JDYNQBXRSDVVPC-NXEZZACHSA-N	249.123	-0.614	50	10	BBGE	
O=C1COC2(CN1)CN(CCCCl)C2	2242225526	PQGVWKVVIPEYHT-UHFFFAOYSA-N	218.684	-0.184	50	10	BBGE	
CC(C)CCNC(=O)c1nscc1B(O)O	2243346839	DLJUDDXJDOVIRE-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
C=C(F)CNC(=O)c1sc(C)cc1B(O)O	2243377368	YDSJTXAGRLDOIG-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
CN(CC(C)(C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396142	IGHFBPGZAAHFOL-ZKCHVHJHSA-N	229.085	-0.531	50	10	BBGE	
CC[C@@H](C[C@H](C)O)NC(=O)C1(B(O)O)CC1	2243409092	AVAIWGMBCPPGMJ-YUMQZZPRSA-N	229.085	-0.341	50	10	BBGE	
C=C(CS(=O)(=O)NCCCC=CC)B(O)O	2243411974	DJIFZPSMMZQHHJ-UHFFFAOYSA-N	247.125	-0.170	50	10	BBGE	
CN1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2243413360	FEDOZSVZGNSGTG-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
C=CCONC(=O)c1cc(C)c(B(O)O)o1	2243415597	YKVVAINUKDMWMW-UHFFFAOYSA-N	225.009	-0.885	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(B(O)O)sn1	2244268851	OUEVFPCLOXCFON-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)[C@@H]2O)C(=O)NN	2244300993	IVGWSRUWUCARLV-BRPSZJMVSA-N	227.308	-0.685	50	10	BBGE	
CCOCCOc1nc(OC)ccc1B(O)O	2247231450	SNTBMTHTCAMMNE-UHFFFAOYSA-N	241.052	-0.815	50	10	BBGE	
CCCCN(O)C(=O)c1cc(B(O)O)oc1C	2247721507	FHBNFUMDHIXYOG-UHFFFAOYSA-N	241.052	-0.101	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1coc(B(O)O)c1	2247723038	PNCKKGYHLMNNHK-FKQCQYRASA-N	241.027	-0.563	50	10	BBGE	
O=C(Nc1cnsc1)c1ncccc1B(O)O	2247771879	YSHFAFSQEYICIB-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C(C)(C)C	2247784396	UENGSUIXACEGBG-LURJTMIESA-N	239.084	-0.746	50	10	BBGE	
CCC=CCNC(=O)c1cc(C)c(B(O)O)o1	2247789274	SSYTVIKCNXYSSU-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
CCCC(C)(C)NC(=O)c1c[nH]nc1B(O)O	2247798339	SLCBSYSSNCGJTF-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
O=C1C[C@H](C2CC2)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247810193	VMXRRYGFKXCSLX-YIZRAAEISA-N	237.064	-0.366	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2247870258	HBAQYPDBCAZGFK-GZMMTYOYSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1occc1B(O)O	2247878387	OCHLFKNKBQYSRF-JIGDXULJSA-N	237.064	-0.409	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C(C(F)F)[C@H]2C1	2247887186	LFTOANNCHKNZBN-BWBBJGPYSA-N	245.034	-0.181	50	10	BBGE	
O=C(NCCc1cccnc1)[C@H]1C[C@H]1B(O)O	2247896276	GBPCXNRWIADUCF-VHSXEESVSA-N	234.064	-0.397	50	10	BBGE	
NC[C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247898774	HQEYYCLZZLBRHC-CDLYGTGVSA-N	238.096	-0.953	50	10	BBGE	
C[C@H](CN1CCOC(C)(C)[C@@H]1CO)C(=O)NN	2247990389	SREGDIZOPDJYPU-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ccc(B(O)O)cn1	2248416612	WIEWJXNPLLIMFS-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
CC(C)(C)C[C@@H](NC(=O)C#CB(O)O)C(=O)O	2248587984	XOCNIJWNVIXHCC-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
N[C@H]1CC[C@@H]1CNc1nccc(B(O)O)c1F	2250300735	DCARUQDOLPDGNF-SVRRBLITSA-N	239.059	-0.950	50	10	BBGE	
C=CC[C@@]1(CO)CCN(C[C@H](C)C(=O)NN)C1	2250432026	YQFBXJXSJOQPSS-CMPLNLGQSA-N	241.335	-0.127	50	10	BBGE	
Cc1cccc(C(=O)N2CCCCO2)c1B(O)O	2255508563	BBTUOEZIMYJJRB-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1n[nH]cc1B(O)O	2255550606	YJZJNGUHHXTMGG-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
Cc1cccc(NC(=O)c2cc(B(O)O)n[nH]2)n1	2255550941	QEYDCROMWINGFZ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC#CCN(C)C(=O)c1ncc(C)cc1B(O)O	2255559157	KKJGRMOLBPJJGR-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1occc1B(O)O	2255742319	ABLGCCJQQPIVTQ-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
Cn1ccc2c1CN(C(=O)C1(B(O)O)CC1)CC2	2255745269	WWYIYXILEOIGBM-UHFFFAOYSA-N	248.091	-0.083	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1n[nH]cc1B(O)O	2255762979	DQMIPHQSBGDTTE-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
O=C(NCc1cnn(C2CC2)c1)[C@@H]1C[C@@H]1B(O)O	2255766928	AVUQFVKDMWGSEO-ZJUUUORDSA-N	249.079	-0.303	50	10	BBGE	
COc1ccc(C(=O)N[C@@H]2C[C@H]2C)c(B(O)O)c1	2255790139	SOUQITAHHKOURX-RDDDGLTNSA-N	249.075	-0.487	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NCC#CB(O)O)n1	2256641436	VKTQBUFKURXZSF-UHFFFAOYSA-N	249.079	-0.978	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CCC[C@@H]21	2258124286	AEGPVXXQRLOFCD-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
O=c1ccncn1Cc1c(F)cccc1B(O)O	2261002522	PMHCSNDDTWQDNS-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCN2C)cc1B(O)O	2299045720	CFAAPNJUBFIKPJ-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300370826	NHKOXMPWOVYUJL-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H]1CN(CC(B(O)O)=C(C)C)CCO1	2301952598	JSFLKXANYMRSRY-SNVBAGLBSA-N	243.112	-0.318	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](CO)[C@@H](C)C1)C(=O)NN	2303413287	IBNYFTHKKOXQBU-JBLDHEPKSA-N	243.351	-0.047	50	10	BBGE	
OB(O)c1cc(N2CC[C@H](CF)C2)ncc1F	2303834425	FZHUXJABUGYKSP-SSDOTTSWSA-N	242.034	-0.304	50	10	BBGE	
COC[C@@H](C)COc1cc(B(O)O)c(F)cn1	2303860501	GVGNNDHIVHTXBY-SSDOTTSWSA-N	243.043	-0.438	50	10	BBGE	
O=C(CCBr)NCCOCCO	41676165	DEOQFUJPJOGFQP-UHFFFAOYSA-N	240.097	-0.104	50	10	BBGE	
O=C1CC[C@H](CNS(=O)(=O)CCl)N1	70681491	WODUTKBRMGAEPB-RXMQYKEDSA-N	226.685	-0.619	50	10	BBGE	
COCCN(CCC#N)[C@H](C)CC(=O)NN	82468797	IWBULJRKYJPRJI-SECBINFHSA-N	228.296	-0.383	50	10	BBGE	
CC[C@H](SCC(=O)OC)C(=O)NN	82472442	WEVIAAOBGRPSHV-YFKPBYRVSA-N	206.267	-0.339	50	10	BBGE	
CC(C)n1c(S[C@@H](C)C(=O)NN)n[nH]c1=O	82472665	MSJMEJFPKZBJGJ-YFKPBYRVSA-N	245.308	-0.377	50	10	BBGE	
NNC(=O)c1sccc1CN1CC[C@H](O)C1	82501579	UDHHCDWVSSXQHB-QMMMGPOBSA-N	241.316	-0.082	50	10	BBGE	
O=c1ccc(=O)n(CCOCCCl)[nH]1	82513447	LZTDJZAQLGQKOD-UHFFFAOYSA-N	218.640	-0.208	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](N2CCCC2)C1	110581777	XONADKZMWTZEFK-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
CS(=O)(=O)NCCOCCBr	136797781	YPCBEWFVJHFBGG-UHFFFAOYSA-N	246.126	-0.053	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	149123368	UDWYKGPSLHPWPR-RNFRBKRXSA-N	215.253	-0.175	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)CCBr	168484816	NFFYKCZAFRXOMN-ZETCQYMHSA-N	240.097	-0.369	50	10	BBGE	
OB(O)c1cc(-c2ncon2)ccc1F	170013734	PQTWXIBQWMSIFA-UHFFFAOYSA-N	207.957	-0.445	50	10	BBGE	
NNC(=O)C[C@H]1CCCS(=O)(=O)CC1	215804621	QSLYJRUFBSFJBA-ZETCQYMHSA-N	220.294	-0.419	50	10	BBGE	
CC(C)=NNC(=O)CC[C@H](N)C(=O)O	238176342	SBXWQHRFBOCORI-LURJTMIESA-N	201.226	-0.310	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]([C@H](C)O)C1	252766071	ITGXQOOXWZHKKL-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@](C)(O)C1	300027334	BVTVZHPKXWKWND-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
OC1[C@@H]2O[C@@H]2C(Br)[C@H]2O[C@@H]12	306315512	PVJIBJBAXAOCNY-OQVBNWBKSA-N	207.023	-0.341	50	10	BBGE	
OB(O)c1ccc(O)c2cc(O)sc12	306793371	BHGYTILBNHEMBR-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COCC(=O)NN=Cc1csnn1	308435599	WEXLSSMLDREQIY-UHFFFAOYSA-N	200.223	-0.365	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	309284016	OAVQCMGWHSXOTI-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)[C@H](CO)C1	317429928	LKRGFBRJANKWAZ-JGVFFNPUSA-N	221.684	-0.183	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NCCCN)[nH]1	379947390	JNMHXAHNFOFJEK-UHFFFAOYSA-N	230.703	-0.752	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2C3CCC(CC3)[C@H]2C1	383941942	OUECPUSIVWCLDV-OXYCZDQYSA-N	237.303	-0.129	50	10	BBGE	
NNC(=O)[C@@H](N)c1cccc([N+](=O)[O-])c1	383979387	VTRAZDTUEBZGKF-ZETCQYMHSA-N	210.193	-0.416	50	10	BBGE	
Cn1nnnc1CNC(=O)CCCl	389298996	CCJAKQWTNRBNPU-UHFFFAOYSA-N	203.633	-0.545	50	10	BBGE	
Cn1cc(C(=O)N2CCO[C@H](CCl)C2)nn1	390431696	DRQRKLPSQYEYDV-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
Cc1ccc(B(O)O)cc1CCC(=O)O	396132991	KJENGSDFAFWXCD-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
CSSCCNS(=O)(=O)CCN	397909430	ZCWQKOPDVUHCAA-UHFFFAOYSA-N	230.380	-0.124	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](C)C[S@](C)=O	399994253	VUAMPMTWOVNBGH-PISXGGPESA-N	235.353	-0.546	50	10	BBGE	
NNC(=O)C(=O)NCCC(C1CC1)C1CC1	400776057	POHUWOBLZWRSOX-UHFFFAOYSA-N	225.292	-0.081	50	10	BBGE	
CC[C@@H]1COC(C)(C)CN1C(=O)C(=O)NN	403764622	GYOSGMDBDQGNKB-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
CC[S@@](=O)NCc1cc(B(O)O)cs1	404927967	KVHRQJGHWOEGPS-CQSZACIVSA-N	233.123	-0.799	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)C#N	585006058	QLRGVLQKTZXEGI-SECBINFHSA-N	246.075	-0.259	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCO)CC1CC1	690925040	AGJRSHNSTUPZAX-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](C#N)C1	693907916	QQXUBFZQZXPZTC-RKDXNWHRSA-N	226.280	-0.773	50	10	BBGE	
OB(O)c1ccn(COC2CCCC2)n1	694226724	FTNRRLOCSJZQSZ-UHFFFAOYSA-N	210.042	-0.520	50	10	BBGE	
COc1ccncc1Cn1ccc(B(O)O)n1	694266926	BBFNVVZWJBHQED-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)n1ccc(C(N)=O)n1	695062529	RFDUQZOBDSFENL-QMMMGPOBSA-N	239.279	-0.441	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1OCCc2ccccc21	700878811	HRZGPAHNGGNIJU-VIFPVBQESA-N	235.243	0.000	50	10	BBGE	
CN1C[C@H]2CN(CCCCC(=O)NN)C[C@H]2C1	706305937	CTQGSIOZDRVMHE-PHIMTYICSA-N	240.351	-0.360	50	10	BBGE	
CCO[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	706445424	FLJPODWUGBEUKH-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(n2ccnc2)C1	707389929	YDFABVXCVHBHGA-RKDXNWHRSA-N	237.307	-0.246	50	10	BBGE	
CN(C(=O)c1cnn(C)n1)[C@H]1COC[C@H]1Cl	709091760	ZXJXUCJXPLFILQ-SVRRBLITSA-N	244.682	-0.107	50	10	BBGE	
CN(Cc1nnn(C)n1)[C@H]1COC[C@@H]1Cl	709158252	HHJRCFWOYBARPT-BQBZGAKWSA-N	231.687	-0.352	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H](F)[C@H](F)C2)c1	714516862	DOBCSFQIGPTMFY-PHIMTYICSA-N	241.046	-0.142	50	10	BBGE	
C[n+]1cc([C@H]2N=C(C(=O)CCl)C=[S+]2)[nH]n1	725575087	AWVOPRNELPUWHN-QMMMGPOBSA-O	244.707	-0.620	50	10	BBGE	
CCN[C]1SC(C#N)=C(N)[C@@H]1C(N)=O	725586216	FEXFTEBPVJDWAM-RXMQYKEDSA-N	211.270	-0.372	50	10	BBGE	
CN(C)NC(=O)C[C@H]1COCC[C@@H]1N	725614202	PPPWRGCRJDTGRH-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1cccnn1	1137759800	KTDFQMWHELUOCQ-SECBINFHSA-N	208.221	-0.143	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NN=c1cc[nH]cc1	1138148085	HWZDKNWDKJIDRO-UPHRSURJSA-N	244.258	-0.206	50	10	BBGE	
O=C(NN=c1cc[nH]cc1Cl)C1(O)COC1	1296202804	NNALXWHDSOEJEJ-UHFFFAOYSA-N	243.650	-0.639	50	10	BBGE	
CCNC(=O)CC(=O)NNc1nnc(C)n1C	1329068318	SPILVWUQKJYWAE-UHFFFAOYSA-N	240.267	-0.907	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1COCCO1	1354837180	SJSYJKAOLVFNRL-HLTSFMKQSA-N	242.275	-0.405	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1ncc(F)cn1	1466131363	GKPOCWFBRLRQSO-AIYRYJHASA-N	226.211	-0.004	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)COc1ccsn1	1631070979	WHZJNKQFZWMHIW-ZETCQYMHSA-N	245.304	-0.134	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NN	1879945544	QOPNLQQXVBDDSJ-RITPCOANSA-N	215.253	-0.111	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1[C@H]2CCO[C@H]21	1881721957	RSSOZHDYIUOWLS-FSDSQADBSA-N	225.697	-0.068	50	10	BBGE	
N[C@H]1C[C@H](NC(=O)C=CC(=O)Cl)C1	1883627199	RJAMTTJHGSSIKS-IZLXSQMJSA-N	202.641	-0.086	50	10	BBGE	
O=C(NCC[C@H](O)CO)[C@@H]1C[C@H]1Cl	1883637863	BKKSSTPYAFXWAH-RRKCRQDMSA-N	207.657	-0.527	50	10	BBGE	
CO[C@@H](C)COCCOCC(=O)NN	1886080104	XDYNMWSHRWJOQV-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
N#Cc1c[nH]cnc1=NS(=O)(=O)CCl	1886855210	DMCOUJFRCIFIHA-UHFFFAOYSA-N	232.652	-0.292	50	10	BBGE	
Cc1c(CS)cc(CN)cc1B(O)O	1887520821	NPWVPLDEHWWZRB-UHFFFAOYSA-N	211.095	-0.437	50	10	BBGE	
C[C@H](NC(=O)C1CC(Cl)C1)[C@H](O)CO	1893474251	GTOBZMXCYQPYQP-FACXLHOTSA-N	221.684	-0.138	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1NCC[C@H]1C	1901343142	AOLNPEVYKOBONT-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
COCCCOCCN1CC[C@@H](B(O)O)C1	1902515858	MRFCEEAWIKNMJO-SNVBAGLBSA-N	231.101	-0.412	50	10	BBGE	
CNC(=O)C[C@H]1CNCCN1C[C@@H](Cl)C#N	1902722058	HAJUXNPGDIVUMR-IUCAKERBSA-N	244.726	-0.473	50	10	BBGE	
C[C@H](O)[C@H](C)Sc1cc(B(O)O)c(F)cn1	1903005665	JSFHYZBRQOJGSV-WDSKDSINSA-N	245.084	-0.238	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CCC1	1914998999	ZPISCIBUUJWLDE-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](CN1CCOCC12CC2)C(=O)NN	1915588400	WZYJRDDZAPIZQX-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CC[C@@]1(F)CCN([C@H](COC)C(=O)NN)C1	1925549933	ALXWFOUAHBABQS-PSASIEDQSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926004709	KAFDERMCKMYQPV-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CN(C)C[C@@H]1O	1928757092	AAXMKQLGPBKORR-XVMARJQXSA-N	206.673	-0.595	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H]1CCS1(=O)=O	1930859335	MYEIFEITNMFDDY-NTSWFWBYSA-N	225.697	-0.083	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2COC[C@@H]2O)C1=O	1931728995	AIHGZGXKWOGIFT-ZKWXMUAHSA-N	219.668	-0.167	50	10	BBGE	
COCCN(CC(F)(F)C(=O)NN)C(C)C	1935929818	DYOSFEIXDWHVAI-UHFFFAOYSA-N	239.266	-0.032	50	10	BBGE	
CC1(O)CCN(CC(F)(F)C(=O)NN)CC1	1935943624	FUYMDLBPIMJJKO-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
COC(C)(C)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093492	FFVGIPSUVNUZOX-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCCC[C@H]21	1936500197	MJHBTCUCBUNQCJ-HRDYMLBCSA-N	225.292	-0.081	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)CC1(C)C	1937790689	IPABALGORHFUKB-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CO[C@H]1COC[C@H]1CN1CC(=O)OC(=O)C1	1939187584	FBFCWCYFLBXXQX-SFYZADRCSA-N	229.232	-0.967	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1941095286	VOGIUHGFNAVMFG-DTWKUNHWSA-N	242.323	-0.931	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1CCOCC(=O)NN	1941773325	WLLMNTCRWPLXBE-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CC(C)(CN1C[C@H]2OCCO[C@@H]2C1)C(=O)NN	1944745581	YODGUZSHNLSAAH-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@H](CO)C1	1948811292	GXZFCTXATKSGQO-JTQLQIEISA-N	245.323	-0.913	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@@H](C)O	1954258823	IOZGQELRGDEAPM-PHDIDXHHSA-N	224.351	-0.178	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@H]1CCl)C1COC1	1954307390	CANPKBZFGZGCLA-CAHLUQPWSA-N	225.697	-0.068	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@@H]1CCNC1=O	1954822958	XVMJSGBBXBIOQY-NKWVEPMBSA-N	206.673	-0.594	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@H]1C	1957005280	KUHJCKMEIJFHNA-BWZBUEFSSA-N	201.270	-0.669	50	10	BBGE	
COc1cncc(C(=O)NNC(N)=O)c1	1960564556	FHUDIGNITJLQIT-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
CCON(C)c1ncc(C)cc1B(O)O	1961718054	JNIWKFSLPQYNNQ-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
O=C(C1CC(Cl)C1)N1CCNNCC1	1967104970	LEQVHDVFCJMRNT-UHFFFAOYSA-N	217.700	-0.060	50	10	BBGE	
CC1(O)CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	1985356868	JOHYTJPSGNDELM-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C(C)(C)C	1986722438	HOYGVIHHXCTVBR-IWSPIJDZSA-N	229.324	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC(CO)C2)C1	1987153695	KDRANUKOTPANSL-SECBINFHSA-N	227.308	-0.541	50	10	BBGE	
COCC(=O)N[C@@H](C)c1cscc1B(O)O	1987175160	NBGZHLBVIDOESS-LURJTMIESA-N	243.093	-0.749	50	10	BBGE	
COCc1nc(CN(C)CC(=O)NN)cs1	1988054818	DZTNEIDTLVUCSP-UHFFFAOYSA-N	244.320	-0.289	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@H]2COC[C@H]21	1989708962	FFJIZSQPQYIUTN-RQJHMYQMSA-N	248.666	-0.439	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@H]2CCCC[C@H]12	1992146516	UUQMRMGWNJXSFB-IUCAKERBSA-N	221.065	-0.446	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@]1(O)CCCNC1	1993452615	NAEGSKGXZAKJLG-VMZHVLLKSA-N	246.694	-0.461	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000814840	PMZYRBBXWAJWKN-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@H](C)CCC(=O)NN)C1	2002123095	WKNGUEVPZVRTCG-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@H]1CCOC1	2004917611	DJBDVNPDEVNUPT-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(OCCOC(C)C)ncc1B(O)O	2004928038	AIMYMQCLFLCKDB-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
CO[C@@H](COc1ncccc1B(O)O)C(C)C	2004954156	ZOMXCUXIABSKBM-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COC[C@H]2C1	2008872696	DCFQYVYVPOVILD-OCAPTIKFSA-N	249.261	-0.420	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008979290	HXJHYODHODIQNZ-ZRUFSTJUSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)[C@@H](C)C1	2019215336	VEYYFPABLWLYFQ-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)C12COC(CO[C@@H]3CCOC3)(C1)C2	2023838568	OPQDMLGJOUMHOS-MFAVDMRSSA-N	242.275	-0.669	50	10	BBGE	
CN(C)C[C@H]1CCN1Cc1cccc(B(O)O)c1	2042726813	VLSMDPDYKZWNLI-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
CC1(C)CC2(CN(c3ncc(B(O)O)cn3)C2)C1	2052465482	BEGUZRYOQGQYIV-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C1CC1)c1ncncc1B(O)O	2052467251	OMDAKSFONJJDSO-UWVGGRQHSA-N	247.107	-0.361	50	10	BBGE	
CN(CCn1cccn1)c1ncccc1B(O)O	2052490214	BAALUOVMEDMUJX-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
Cc1nc(N(C)C[C@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2052559958	QYMDNDDARPROON-DIYOJNKTSA-N	249.123	-0.197	50	10	BBGE	
Cc1cc(N(C)Cc2cocn2)ncc1B(O)O	2052621095	BUILKQDZGLMIJU-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]2CO3)c(B(O)O)c1	2052621588	JBEKXXMQKKPPEO-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1B(O)O	2054282839	QJLFRAZBHDSURO-OWUUHHOZSA-N	248.091	-0.910	50	10	BBGE	
Cc1cccnc1Cn1cc(B(O)O)ccc1=O	2058156939	XBYZGJYVNLDZJF-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C2C[C@@H]3C1[C@@H]3C2	2071236667	NTXVKKVGXFVPGO-OMRSUMCISA-N	245.087	-0.570	50	10	BBGE	
O=C(NCc1ncc[nH]1)c1ccccc1B(O)O	2079008742	MCKKVXQPSGUMKY-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
NNC(=O)COCCS[C@@H]1CCNC1	2210076520	QLAYRXFHRGVYTO-SSDOTTSWSA-N	219.310	-0.912	50	10	BBGE	
CN([C@H]1C[C@@H](O)C1)[C@@H](C(=O)NN)C(C)(C)C	2210106523	UNRJIRITKNDORK-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
CN1CC[C@H](COCC(C)(C)C(=O)NN)C1	2211765731	VIYZSZDRTKUZCN-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@@H]2C(=O)NN)c(=O)o1	2211839446	URXCOCYKACZVMZ-RQJHMYQMSA-N	226.236	-0.839	50	10	BBGE	
COC[C@]12CCC[C@@H]1CN(CC(=O)NN)C2	2212539163	BDLLAXSFOHLONY-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
CO[C@H](C)CCN=c1ccc(B(O)O)c[nH]1	2212602421	DFAFFUIDYJTMQZ-MRVPVSSYSA-N	224.069	-0.980	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNc1ncc(B(O)O)cn1	2212602627	HHIKHOQATVSLIM-XVKPBYJWSA-N	221.069	-0.386	50	10	BBGE	
NCCCCCNc1ncccc1B(O)O	2212604836	ZQJMOYQYFAYMTF-UHFFFAOYSA-N	223.085	-0.698	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cnc([N+](=O)[O-])c1	2215773165	RSFBSEYFJWFWBH-BQBZGAKWSA-N	239.235	-0.193	50	10	BBGE	
CO[C@H]1CC(=O)N(CC2(C(=O)NN)CCC2)C1	2216530297	NQGWPEBVGFIVNB-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
C[C@@](N)(COc1ncccc1B(O)O)C1CC1	2217168541	ZRUIYUCXEOOUEL-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1Nc1cc(B(O)O)ccn1	2217178156	SBOSMSPXQOMAOC-RKDXNWHRSA-N	236.080	-0.667	50	10	BBGE	
N[C@@H](COc1cc(B(O)O)ccn1)C1CCC1	2217186659	NARLMHDNWJQPDU-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
C[C@@](CN)(Oc1ncccc1B(O)O)C1CC1	2217188690	RXTLDOYKZBVBBT-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
COC1CC(CNc2cc(B(O)O)ccn2)C1	2217198389	AGWHAYBKVNSHMR-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCC[C@@H]2F)nc1	2217198463	BNPJBHKJPDMBOD-DTWKUNHWSA-N	239.059	-0.151	50	10	BBGE	
C[C@H]1C[C@H](CNc2ncccc2B(O)O)CO1	2217199770	OXNIULDSDNPQJP-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@]23CC3(F)F)nc1	2217200896	VWWYLGMSWGZMET-POYBYMJQSA-N	241.006	-0.634	50	10	BBGE	
C[C@H](CC(C)(C)O)Nc1cc(B(O)O)ccn1	2217204643	MKIPTPWKCKFJIV-MRVPVSSYSA-N	238.096	-0.277	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C1CCNCC1	2223634208	HRLUDAKXMYSEMT-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)c(C)cn2)n[nH]1	2223639350	CNBMCYWHWBBJKA-UHFFFAOYSA-N	247.067	-0.892	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CNCC[C@H]32)c1	2223656953	UJKMOZKWMKVOLE-JMJZKYOTSA-N	248.091	-0.862	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H](C)C1N	2223670513	ZCYDIBFFTCWZAC-IUCAKERBSA-N	249.123	-0.819	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCCNC[C@@H]2C3)c1	2223671310	JWOAJWTXRMFBNW-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
O=C1C[C@@H](N[C@H]2C[C@H](Br)C2)C(=O)N1	2242384624	NGIYGFAYZMGKIQ-HSUXUTPPSA-N	247.092	-0.083	50	10	BBGE	
Nc1ccc(Cl)c(NC(=O)C#CB(O)O)c1	2243356984	POUWXJYADGHHQX-UHFFFAOYSA-N	238.439	-0.124	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)C1(B(O)O)CC1	2243364348	VQIZFPPSXXPCSA-YUMQZZPRSA-N	227.069	-0.587	50	10	BBGE	
CN[C@@H](C)CCNC(=O)C1CC(B(O)O)C1	2243397279	YFKYAZFKLGYNAS-UEJVZZJDSA-N	228.101	-0.646	50	10	BBGE	
O=C(C#CB(O)O)NC1(C(F)(F)F)CCC1	2243398421	DMOVKJFQCHGXEG-UHFFFAOYSA-N	234.970	-0.397	50	10	BBGE	
CSC[C@H](C)NC(=O)c1cocc1B(O)O	2244211328	ISKWZCALTTXILG-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C=CCCC1	2244547872	GYCKIXIBCBITNB-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)oc1C	2247724000	XGZGUZMIHOXHNS-UHFFFAOYSA-N	241.052	-0.319	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1CCCC1	2247747870	UORYZKKVBCZRJZ-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCC1=O	2247760029	ANBNYVRGWYJGMM-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cn1	2247768905	APCUAXASFDVFOE-MRVPVSSYSA-N	236.080	-0.368	50	10	BBGE	
CON(C(=O)c1cncc(B(O)O)c1)C(C)C	2247771562	MKLTTWWTTVOGBQ-UHFFFAOYSA-N	238.052	-0.827	50	10	BBGE	
O=C(NCCCn1cccn1)[C@H]1C[C@H]1B(O)O	2247806064	DBERVODIKABVRV-DTWKUNHWSA-N	237.068	-0.748	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2247806835	GMKBFNNIKKLDMS-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
Cc1oncc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806989	PNSVXMIPCQZLNS-XWEPSHTISA-N	238.052	-0.148	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1F)C1CC(B(O)O)C1	2247810292	WBTSXMPBRZTIBU-ABIFROTESA-N	244.075	-0.944	50	10	BBGE	
O=C(N[C@@H]1CCO[C@@H]1C1CC1)C1(B(O)O)CC1	2247855578	UYHBNIOFJBBYTJ-RKDXNWHRSA-N	239.080	-0.323	50	10	BBGE	
CCCCCCNC(=O)c1cc(B(O)O)n[nH]1	2247884842	AGBNRXLXMSUFAM-UHFFFAOYSA-N	239.084	-0.600	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCC[C@@H]1O	2247888459	ZWMGPZDBCYSDJZ-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CO	2247896669	IXQRYWHGLONYFO-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CC(=CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248590380	CRWYYCXHHHRAQO-OCAPTIKFSA-N	241.052	-0.614	50	10	BBGE	
CC[C@H](COC)NC(=O)c1cc(B(O)O)co1	2249411787	TXCLKHVYDZLLOA-MRVPVSSYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1(F)CC1	2249415166	AKIGQQGNFMRRFP-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
COCC(C)(C)NC(=O)c1cocc1B(O)O	2249433799	QSDYZCQCAYPVDT-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)C)C[C@@H](C)O	2250542640	KBPKOSSEBKZPPH-NXEZZACHSA-N	247.339	-0.670	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(CC#N)C1	2255450320	VVILRCWOWUJZPB-UHFFFAOYSA-N	248.047	-0.747	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1ccoc1B(O)O	2255461984	PCYBBLRPZMDVTM-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)c1ncc[nH]1	2255467743	RDCMCGJKJRENJF-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=CCC1(NC(=O)c2cc(B(O)O)n[nH]2)CCC1	2255553124	UPYRSWWWRXMZAJ-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
C=C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2255685835	HXOQXEXSQZOKIJ-SECBINFHSA-N	249.079	-0.826	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cccc(F)c1B(O)O	2255688845	AWTFURWCIKROOC-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1ccoc1B(O)O	2255717099	WJGXIYDFIXBGPV-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@H]2CCC[C@H]12	2255718940	GDIMKWJGXNOFCP-YUMQZZPRSA-N	249.075	-0.204	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1cccc(C)c1B(O)O	2255735096	MXBFIRUSELGYSX-UWVGGRQHSA-N	249.075	-0.808	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2255735581	WHMBRFYFQMTWNZ-NSHDSACASA-N	246.075	-0.448	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC[C@H]1CC12CC2	2255736257	JTNRYHWRXGHQST-MRVPVSSYSA-N	248.091	-0.765	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)ccc2O)C1	2256008767	JUGMTKZZHVBTRR-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)c1ccco1	2256368736	KAQRIIBFPGXRGM-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC=CC[C@H]21	2258135367	RERAWHUGYCKCBG-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
COC[C@@]12C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298371233	DNXMYLYJRUTUDE-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375404	IPCVZCDOUDHZFK-JXUBOQSCSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376392	UXLDOEFURFXPBI-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CN(CCOC1CCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2300888511	KJCUMCCAMIYARF-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC/C=C\CN	2301347109	XUSRFMPEKOQNRZ-UPHRSURJSA-N	231.064	-0.835	50	10	BBGE	
C[C@@H](COCCCN1CCOCC1)C(=O)NN	2301604532	DHZYDFHHLDEOCE-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1	2303102660	YRZKUYFSBKAQRH-LSJOCFKGSA-N	239.080	-0.512	50	10	BBGE	
COC[C@](C)(CN1CC[C@@](C)(B(O)O)C1)OC	2303136410	SVMQYJPUSDNOKS-MNOVXSKESA-N	245.128	-0.023	50	10	BBGE	
CC[C@](C)(CN1CCNC(=O)[C@@H]1C)C(=O)NN	2303423514	GEHIAGMZXSTMBO-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cc(B(O)O)c(F)cn1	2303853027	QTOBYKKZUIWMCZ-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306282506	CYNRNXLUGDPEMA-HPENLJRUSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]12	2312848011	FIRJJBSAVVSUNV-QXFUBDJGSA-N	248.091	-0.578	50	10	BBGE	
OB(O)c1cc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1F	2320810715	FUNYFZDUJUDGGV-WCTZXXKLSA-N	249.050	-0.066	50	10	BBGE	
NNC(=O)CCS(=O)(=O)c1ccccc1	37387892	PKJZCFNCYDDXAH-UHFFFAOYSA-N	228.273	-0.160	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@@H](O)C1	82468670	GMAVVEPAIUXLMF-MRVPVSSYSA-N	225.248	-0.550	50	10	BBGE	
NNC(=O)c1occc1CN1CCNCC1	82469767	MWJRAUNKKARGNK-UHFFFAOYSA-N	224.264	-0.712	50	10	BBGE	
C[C@@H](CN(C)CC(C)(C)O)C(=O)NN	86275145	RHKRHRRBYCOLJN-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NC[C@H](O)CO	86551001	WRFDZQIJHXJUJT-BQBZGAKWSA-N	245.728	-0.866	50	10	BBGE	
CN1CCN(Cc2cc(C(=O)NN)co2)CC1	110569230	BKNPZCWYYMMDRJ-UHFFFAOYSA-N	238.291	-0.370	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H](O)CC[C@H]2C1	156623992	OXDIWAKRQFSQNJ-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
COCCOc1ccc(C)cc1B(O)O	197958138	ORTCRKFZISWXSI-UHFFFAOYSA-N	210.038	-0.300	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(F)c(B(O)O)c2)n1	199006556	JKLRMSRWBVBLAT-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](N(C)C)C1	222179510	XEXSGAVUJJZTAP-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
CCc1nn(C)cc1N1CC(=O)OC(=O)C1	231093191	UYQKZJANCBHOSF-UHFFFAOYSA-N	223.232	-0.128	50	10	BBGE	
CC(C)(CN1CC[C@](C)(C(N)=O)C1)C(=O)NN	232517146	PCBJRESUMSHKGA-NSHDSACASA-N	242.323	-0.800	50	10	BBGE	
CS[C@@H]1CC[C@H](NC(=O)C(=O)NN)C1	235128677	WRGGXIVZRKNELK-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
C=NNC(=O)C[C@H](N=[N+]=[N-])C(=O)NN=C	238140250	TZDSBXULQBNCBI-BYPYZUCNSA-N	211.185	-0.481	50	10	BBGE	
CCOC(=O)[C@](C)(CC)NNC(N)=O	238278258	FHEHXGHUOSIMHQ-QMMMGPOBSA-N	203.242	-0.109	50	10	BBGE	
CCNC(=O)CSCC(C)(C)C(=O)NN	300789405	CPJMKHMUHIEGSO-UHFFFAOYSA-N	233.337	-0.128	50	10	BBGE	
COc1cc(F)c(B(O)O)c(F)c1F	306589122	UEMXKFXQXXDGQJ-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
CSC[C@@H](C)NC(=O)NNC(N)=S	379375378	PGXKENGBUZUBKS-SCSAIBSYSA-N	222.339	-0.215	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](C)(CO)C1	381358038	JMNRYGZFSXJQKV-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
COC[C@]1(C)CCN(CC(=O)NN)C1	381396929	UFYJPOSSMSUGAI-SECBINFHSA-N	201.270	-0.665	50	10	BBGE	
CN1C(=O)C(C)(C)Oc2cc(B(O)O)ccc21	382739933	HFVGLCYTVJJITJ-UHFFFAOYSA-N	235.048	-0.500	50	10	BBGE	
COc1ccc2ncc(B(O)O)c(OC)c2c1	383831436	PYTXMNXZWHHDRI-UHFFFAOYSA-N	233.032	-0.068	50	10	BBGE	
NNC(=O)c1coc(CN2CCC(O)CC2)n1	386946697	ICAXIMNJEGNPPN-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)C(C)(C)C1	388212156	UXFFRGBOKJLLPV-DJLDLDEBSA-N	229.324	-0.296	50	10	BBGE	
O=S(=O)(CCCl)NCc1nc(O)n[nH]1	392339123	GIRCKPBXIAWDCB-UHFFFAOYSA-N	240.672	-0.832	50	10	BBGE	
CC[C@H](C)N(CCO)CCC(=O)NN	393684373	SBVGIPHTRKOANK-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
N#Cc1cc(CC(=O)CCl)ccc1B(O)O	396080857	YFKAIQZWVQNKSO-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
C[C@]1(C(=O)Nc2ccc(B(O)O)cc2)CCOC1	687413678	JESUZSKVDRVCHJ-LBPRGKRZSA-N	249.075	-0.269	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](F)C2)O1	689824434	CTHZZTDMBZRIKM-YIZRAAEISA-N	231.271	-0.432	50	10	BBGE	
Cn1cc([C@@H](CN)N2CCC(O)(C#N)CC2)cn1	692085327	LXHBYDTZJNKGTB-LLVKDONJSA-N	249.318	-0.230	50	10	BBGE	
N#Cc1cc(F)cc(Cn2cc(B(O)O)cn2)c1	694544991	VAHDXCKIPCSZTC-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CCO)C1CC1	695087302	MQCUXCIYIQMZJI-SNVBAGLBSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCn1cccn1	707430941	NXCRJJXYMLFMBG-VHSXEESVSA-N	239.323	-0.171	50	10	BBGE	
CC(C)C(=O)N1Cc2ccc(B(O)O)cc2C1	707941864	JPBYETMPUVVQCW-UHFFFAOYSA-N	233.076	-0.135	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)CCO1	720476414	SHEHYWLWTRNVGO-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)(CNC(=O)NN)CS(C)(=O)=O	723860782	MCJQPOPVVSYLSR-UHFFFAOYSA-N	223.298	-0.770	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)C1=NNC(=O)C1	732272096	GZMZKSVOZUGTHC-UHFFFAOYSA-N	226.236	-0.944	50	10	BBGE	
CCOCCC=NNC(=O)[C@H]1COCCO1	788433189	JHWODSNPACSKJG-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@H](O)COC	802222114	VFKUVWREHXHGJV-XZLDQRQTSA-N	228.248	-0.446	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCS1)c1nc[nH]n1	819660868	YUWMSBRZMBHVDI-YFKPBYRVSA-N	241.276	-0.539	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NC1CC1	900383472	UBIZJWGDMOBLFY-SKRYNEFJSA-N	213.237	-0.584	50	10	BBGE	
COC(C)(C)C(=O)NN(C)C[C@H](C)O	910168570	UXCLTAQGVZBTSZ-ZETCQYMHSA-N	204.270	-0.245	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C\c1cnccn1	910171393	VRHCFXGYMMEDLF-TYRPZCRBSA-N	236.275	-0.166	50	10	BBGE	
CC(=O)NNC(=O)[C@@]1(O)CCSC1	1290392233	SSHXDYIIDNAARR-SSDOTTSWSA-N	204.251	-0.978	50	10	BBGE	
O=C(CSC1CC1)NNC(=O)c1cnn[nH]1	1293054368	FGCRKLAUVCDVNC-UHFFFAOYSA-N	241.276	-0.539	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CSC1CC1	1306509188	GMZWQWXXBLRAOL-UHFFFAOYSA-N	231.321	-0.409	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1cccnn1	1566757454	TUSACPJTNNUSBR-ZZZKRKDRSA-N	208.221	-0.143	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@@H](O)CN1CC=CCCl	1877831725	AEVIVZIYPYMZIQ-HRDYMLBCSA-N	221.684	-0.820	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880022362	BLWQVQSQRZKGTC-RQJHMYQMSA-N	247.295	-0.407	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)C1	1883649241	NGVZPNZNUPFYQQ-UGQQDIOTSA-N	203.625	-0.099	50	10	BBGE	
CCNC(=O)NN(C)S(=O)(=O)C1CC1	1888554152	HYRYOZNPBNGESB-UHFFFAOYSA-N	221.282	-0.356	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2[C@@H](O)C[C@H]2C1	1898237119	HXOMDIABLHXPSA-WLRJLXCNSA-N	227.308	-0.687	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H](F)C1	1900250317	IYYWTLGUJUSKTM-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)CCSCCOC1CNC1	1900435026	NDAPZVJUYRMBRE-UHFFFAOYSA-N	219.310	-0.912	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H]1N	1901377161	LBDWWVJZFALYFQ-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1ccc(N(CCF)CCF)nc1	1901462890	ZZUUOQUBWWBEPX-UHFFFAOYSA-N	230.023	-0.493	50	10	BBGE	
NNC(=O)COCCOCc1ccncc1	1901613146	JIDSPQCSZKELCN-UHFFFAOYSA-N	225.248	-0.395	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CC[S@](C)=O	1901757417	QUVZSTJANFHTNV-ABKXIKBNSA-N	249.380	-0.155	50	10	BBGE	
NNC(=O)C1(COCC2[C@@H]3COC[C@@H]23)CC1	1902330143	KXEWKTKJVGNUBU-HTQZYQBOSA-N	226.276	-0.335	50	10	BBGE	
CCC#CC(=O)Nc1cccc(B(O)O)c1	1902384083	RKHZWAQRTQHFQQ-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CC[C@@](C)(CN(C)C1(CO)CC1)C(=O)NN	1902715930	MFTQCQUCROMNGJ-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CNNC(=O)C12COC(COC)(C1)C2	1905552969	NNGREDOIOIJYRQ-UHFFFAOYSA-N	200.238	-0.567	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911289169	SWPFADCRJOZYGU-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CCO1	1911420064	KACNTLLQBNZYPB-SCZZXKLOSA-N	237.064	-0.292	50	10	BBGE	
NNC(=O)C(=O)N1[C@H]2CC[C@H]1CSC2	1914571039	YGUOEAQLEFUXLS-WDSKDSINSA-N	215.278	-0.917	50	10	BBGE	
O=C(NNC(=O)[C@]1(F)CCOC1)C(F)(F)F	1923408241	ZEOHWBDMTQEGPF-LURJTMIESA-N	244.144	-0.175	50	10	BBGE	
O[C@H](CCl)CN1CC(N2CCC2)C1	1932055691	GSXGUVWIVCGNME-SECBINFHSA-N	204.701	-0.024	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)C(=O)NN)C1(F)F	1933035195	JWJVKMUYQJIDPD-SCSAIBSYSA-N	221.207	-0.616	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@H]2C(=O)NN)c(=O)n1	1936086315	YEOZCALIRCWVAW-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936087096	YGVYXNQMBMDJCW-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COCC[C@@H]1Cl	1937144375	BSTBIWXXRDSGCJ-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CC1(C)COCCN1CC1(C(=O)NN)CC1	1938247430	SUTMECQJYUGASI-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C1(COC[C@H]2COCCO2)CC1	1939100619	KEEUHAULNOZWTG-MRVPVSSYSA-N	230.264	-0.812	50	10	BBGE	
Cc1ccncc1Cn1cc(B(O)O)cn1	1939945428	CZZYQSRQHFABBO-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2OCC[C@@H]2C1	1940889390	CHZAORLGRQFEPS-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1941087144	AQFMVXHLWPGOBM-LMLFDSFASA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)CCCCN1CCn2nccc2C1	1941185047	ZOBPYKXSCGDOOZ-UHFFFAOYSA-N	237.307	-0.141	50	10	BBGE	
O=C1C[C@H](c2cc(O)nc(O)n2)C(=O)O1	1951890118	PCCCIIHQQJIEGN-GSVOUGTGSA-N	210.145	-0.555	50	10	BBGE	
CS(=O)(=O)C1(C=NNC(N)=O)CCC1	1955001638	KSEFTBDEWHQXJD-UHFFFAOYSA-N	219.266	-0.392	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@H]2COC[C@H]21	1955236677	FPFXOBYQLSQFKO-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
CNC(=O)NCCCNS(=O)(=O)CCl	1955358540	KJBVHHIGJDPJJX-UHFFFAOYSA-N	243.716	-0.579	50	10	BBGE	
NNC(=O)N1CCC([C@H](F)CO)CC1	1955962641	BFESMQGTMHSXLU-SSDOTTSWSA-N	205.233	-0.388	50	10	BBGE	
O=C1CN(CCOCCCl)CC(=O)N1	1956256878	VWEJNCFSPCRDAK-UHFFFAOYSA-N	220.656	-0.800	50	10	BBGE	
NNC(=O)COCCSc1cc[nH]n1	1957143565	FLEPQICKRUNUAF-UHFFFAOYSA-N	216.266	-0.492	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(N(C)C)C1	1958750246	WLYGCKWHURUVEP-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2CSC[C@H]2C1	1958856672	SOLCLDWIFVBBOM-PHDIDXHHSA-N	229.305	-0.766	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCn2ncnc2C1	1961288203	GAXWSSFQEBWVCH-LURJTMIESA-N	230.655	-0.214	50	10	BBGE	
NNC(=O)CN1C[C@@H](O)CCC12CCC2	1962266268	JOGQCSSTEGWLMC-QMMMGPOBSA-N	213.281	-0.644	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)C[C@@H](C)Cl	1962393742	QWUHCHSIZYKBNN-APPZFPTMSA-N	239.699	-0.510	50	10	BBGE	
C#C[C@H](CCl)N=c1ccc2nnnn2[nH]1	1974775554	ZPWAXLVXFGBKIJ-ZCFIWIBFSA-N	222.639	-0.406	50	10	BBGE	
CO[C@H]1COC[C@@H]1NC(=O)NC(=O)CCl	1974825346	PWWLZZIUMDVWPF-WDSKDSINSA-N	236.655	-0.535	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSc1ncncc1N	1975753036	QFPRFBAAMBZKOA-RITPCOANSA-N	239.304	-0.223	50	10	BBGE	
CCN(C)C1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1980602132	VGLPJZSHDLVYKV-WPRPVWTQSA-N	226.324	-0.752	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@H]2C1	1981241226	AUFJLYPNNAQHFF-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@@H](CO)C[C@H]2C1)C(=O)NN	1982121548	MHIYIAPSTQMYAF-RGOKHQFPSA-N	227.308	-0.827	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC2COC2)CC1	1983267478	XVIUGTJGLUWQLL-UHFFFAOYSA-N	224.260	-0.100	50	10	BBGE	
CN(C[C@@](C)(F)C(F)(F)F)C(=O)C(=O)NN	1989422297	JDAWSAYJOBIYJL-ZCFIWIBFSA-N	245.176	-0.275	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CSC[C@@H]2C1	1990775502	WJCJNDRPVIAETB-IUCAKERBSA-N	243.332	-0.552	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NCC=CB(O)O	1991332689	BADDHEOXTLJJRV-BQBZGAKWSA-N	233.023	-0.038	50	10	BBGE	
O=C1NC(=O)N2CCN(C[C@@H]3C[C@H]3Cl)C[C@H]12	1991437710	HQCRHYHSPKKTHH-XLPZGREQSA-N	243.694	-0.150	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCN(C2CNC2)CC1	1991677798	BPBHVASHRXNYQN-VHSXEESVSA-N	243.738	-0.270	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1991685753	NBMVAVCMPXFYJB-HSUXUTPPSA-N	249.650	-0.254	50	10	BBGE	
C=C(CN1CC[C@@H]2CCN(C)[C@H]2C1)B(O)O	1992153971	ULIMPNCESJXROG-QWRGUYRKSA-N	224.113	-0.419	50	10	BBGE	
CCN1CCN([C@@H](COC)C(=O)NN)[C@@H](C)C1	1998400570	GYBVFCQMRACIGK-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(CO)CCC[C@H]12	2000944580	PRQUMFLSIRKSTQ-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H](F)C2)n1	2003505370	AKJOKBXHEIFKKZ-SSDOTTSWSA-N	241.270	-0.433	50	10	BBGE	
COCCCCN(C)c1ncc(B(O)O)cn1	2004912772	YBKGWXUCLQSBPH-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
OB(O)c1cncnc1N(C1CCC1)C1CC1	2004916267	JRSVZJBBHCBHKE-UHFFFAOYSA-N	233.080	-0.322	50	10	BBGE	
COC(C)(C)COc1ncnc(C)c1B(O)O	2004932263	SNTJLKHUSDUFBH-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3C[C@H]3C2)n1	2005017859	LDGXHOOPEZPING-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)c1ccnn1C	2005140092	BDZTVJVBHPWBTH-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](C(C)(C)O)C1	2005912129	HMIHWLKBWOBCDC-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
C[C@H]1OCC[C@H]1COc1cncc(B(O)O)c1	2008407957	MCJGHISQWOLEAJ-BDAKNGLRSA-N	237.064	-0.435	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012899431	FZBZEOHDPBQRJX-LADJIXMOSA-N	241.335	-0.296	50	10	BBGE	
CC[C@@H](OC[C@@H](C)N1CCOCC1)C(=O)NN	2013805214	YOLJNLBPHYGGFL-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CN1CCC2(CC[C@@H]2O)CC1)C(=O)NN	2014134231	PHDMJCRDMIOTIS-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCN2CC[C@H]1C2)C(=O)NN	2017621335	AEHZQRLLANCHBV-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN1CCn2cccc2C1	2019217868	BMQSMGCMZCGVEB-UHFFFAOYSA-N	236.275	-0.529	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C1CCOCC1	2020058380	YMUYJEMQSQZLDB-JTQLQIEISA-N	239.080	-0.370	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1nnc(-c2ccco2)n1	2028050545	IFANGHKJKAVRRZ-BQBZGAKWSA-N	248.246	-0.441	50	10	BBGE	
CC[C@H]1CN(c2ncccc2B(O)O)CCN1C	2052490972	HRUABXKWXYQAQJ-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCOc1c(C=O)ccc(B(O)O)c1OC	2060132254	ZDZQZTDUKKMJSU-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1cc(C=O)c(Cl)c(B(O)O)c1	2060137110	OTZFNMQROREBQE-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]3COC[C@@H]32)cc1	2077844051	LVXPSFGYLYXNHJ-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@@H]2CCC[C@H]21	2079011997	MTXLMRDXYIGKBX-JOYOIKCWSA-N	245.087	-0.009	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H](O)[C@H]1CC2)C(=O)NN	2212096755	DSRIVTHPMHCTOC-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CON(c1cc(B(O)O)c(C)cn1)C(C)C	2212605354	CIJDAEVNQFPJBF-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
Cc1cnc(O[C@@H](C)[C@@H](C)N)cc1B(O)O	2212606227	QMUYGBVBESTWQM-SFYZADRCSA-N	224.069	-0.816	50	10	BBGE	
C=C[C@H]1CCCN1c1ncccc1B(O)O	2212615272	MKRKFZZEARJTOQ-VIFPVBQESA-N	218.065	-0.084	50	10	BBGE	
C[C@@H](CN(C)C)Nc1cc(B(O)O)ccn1	2212615386	OEWWFOVNBHYGTK-QMMMGPOBSA-N	223.085	-0.877	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@@H]2CCCC[C@H]21	2212677067	GDIJXWRFENKEDD-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](CO)N(C)Cc1cccc(B(O)O)c1	2214600366	TYUDBOVQOUQLJN-GFCCVEGCSA-N	237.108	-0.431	50	10	BBGE	
CN1CCC[C@H](COC[C@H]2C[C@@H]2C(=O)NN)C1	2214887541	XVRGOYWUVAKZIA-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@H]1CC[C@@H]1C(=O)NN	2215773366	BADQWWKYYDDQOS-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
CC1(C)[C@H]2C[C@H]1CN(CCOCC(=O)NN)C2	2215876206	PVCUUIKEMORSAX-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](CO)C2)CCC1	2216492011	GRQMTPXCNBAPSN-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@@H]1O	2217172721	LYCREZBRRQOUNX-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
C[C@H]1CNC[C@H](Nc2ncccc2B(O)O)C1	2217199965	HDGSREPAGGEZSV-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1Cc1cccc(B(O)O)c1	2220067295	VAOBATUNSMIRJZ-GWCFXTLKSA-N	248.135	-0.322	50	10	BBGE	
OC[C@@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220067840	ALLXOVIQXZXCAJ-YPMHNXCESA-N	247.103	-0.819	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1c1ncccc1B(O)O	2223640827	YSEOYYGCYGFQHI-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CNC[C@H]2C3)nc1	2223662813	VLXRIUSOWHQDMQ-IQJOONFLSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1cnc(NCC23CCC(CC2)O3)nc1	2223669552	LIGAGXWPOIRHPD-UHFFFAOYSA-N	249.079	-0.720	50	10	BBGE	
COC[C@@H](SCC1COC1)C(=O)NN	2241888535	JXTKRKGEZRCNKR-SSDOTTSWSA-N	220.294	-0.629	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243382234	MBQYVFYUAAPPAI-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCO[C@H]2C[C@@H]21	2243382256	MLAPUVRIWDTWLI-JBDRJPRFSA-N	225.053	-0.761	50	10	BBGE	
Cc1nnsc1[C@@H](C)NC(=O)C#CB(O)O	2243399019	JBVCDDZDHXEOSZ-RXMQYKEDSA-N	239.065	-0.961	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)C[C@H](C)O1	2243401014	LAYQQDBLEWFXIQ-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)NN(C)C)c1C	2243404094	JDGNQKNJRJXILZ-UHFFFAOYSA-N	242.109	-0.749	50	10	BBGE	
O=C(NN1CCCC1)c1sccc1B(O)O	2243407382	QQOKITASYWTSJG-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
Cc1csc(C(=O)NCC2CC2)c1B(O)O	2243414894	KCOBRUYJJHFZCA-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@@H](C)CF)s1	2243415528	WYXSUUIMIPCKBC-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
OB(O)C1CCN(Cc2ccnnc2)CC1	2244178429	SEAFXASPIRZURK-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
OB(O)c1cc(NC2CC(O)C2)ncc1Cl	2245913526	SXWQWBXKPMZXPJ-UHFFFAOYSA-N	242.471	-0.650	50	10	BBGE	
CO[C@@H](CCl)CNC(=O)c1ncc[nH]c1=O	2245977435	OWAFDFFIIRCKAX-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
CCN(C(=O)c1ccncc1B(O)O)C(C)C	2247723020	PHAUMBJRAZQSOL-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)C1(B(O)O)CCC1	2247737507	HLHLKODSCNZPOD-UHFFFAOYSA-N	237.068	-0.235	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@@H]1C1CC1	2247743058	YHFVJLLEFMISMP-GXSJLCMTSA-N	237.064	-0.972	50	10	BBGE	
N[C@H]1[C@H]2CC[C@H]1N(C(=O)C1(B(O)O)CCC1)C2	2247754701	HILCFYPAJYQPKX-YIZRAAEISA-N	238.096	-0.668	50	10	BBGE	
CN[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC12CC2	2247756428	MANWNASONMSNHR-MRVPVSSYSA-N	238.096	-0.796	50	10	BBGE	
COC[C@H]1C=CCN1C(=O)C1(B(O)O)CCC1	2247757916	YJJAHYSDBJWKIA-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cn1C)C1CC1	2247759621	UKTPOYQRXMISKH-ZETCQYMHSA-N	236.080	-0.767	50	10	BBGE	
Cc1ccnc(C(=O)N2CC=CC2)c1B(O)O	2247792130	RVFMSXWIUTWPPJ-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)[C@H]1C[C@H](B(O)O)C1	2247797507	KHYTWXOGPHUKTR-OPRDCNLKSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@@H]1COC2	2247799899	JJFSKDNGRZFOLF-JXUBOQSCSA-N	239.080	-0.371	50	10	BBGE	
Nc1ccccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247805419	KDWFTJAFBCCBDU-IUCAKERBSA-N	234.064	-0.252	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808878	MXLSTJOYIDBHBB-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
CCC1CC(NC(=O)c2ccoc2B(O)O)C1	2247846703	KZDILDCTXPYKHH-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@H]1C(F)(F)F	2247847225	UEWUMXDAWKORSD-RQJHMYQMSA-N	248.997	-0.151	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1cc(B(O)O)c[nH]1	2247851533	ZWTODYLDWKLKIL-RXMQYKEDSA-N	246.022	-0.532	50	10	BBGE	
CN(Cc1ccnn1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247854530	DTINXZTZDDNTOA-IUCAKERBSA-N	237.068	-0.759	50	10	BBGE	
Cc1cc(C(=O)NCCC(F)F)oc1B(O)O	2247891292	HXOWUZUVUFDQJB-UHFFFAOYSA-N	247.006	-0.347	50	10	BBGE	
C[C@](CN)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247895408	RZNIYSIAOFCHQN-BCMRRPTOSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897521	UHSNUSPMFRKQMD-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247898726	HIYOZPZUHUIKSZ-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248577928	QBZQNGPALSKLDY-MHYGZLNHSA-N	243.068	-0.534	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1c1ncccc1B(O)O	2251025758	GGALHOXADMNRNC-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]1C1CC1	2255481458	HUQGJMZIMNTPDG-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
C#CCN(CC)C(=O)c1c(F)cccc1B(O)O	2255509912	PXMSCYVRSKHVPW-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
Cc1cc(C(=O)N2CC3CC2C3)ccc1B(O)O	2255514276	GLGOHAJUNYEQJI-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1cc(B(O)O)c[nH]1	2255674132	WJPUTECAFZJGKR-YUMQZZPRSA-N	248.091	-0.387	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ccncc1B(O)O	2255694502	OMNWENMEZCPYMK-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1occc1B(O)O	2255740947	IIKPDEVCOHOTTN-BGJNVIQHSA-N	247.059	-0.656	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298370619	DXXBYJQIATWQKS-JDDHQFAOSA-N	241.096	-0.533	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370620	DXXBYJQIATWQKS-VVULQXIFSA-N	241.096	-0.533	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298371687	RTVNCXGCNUMPGM-IHICSVBISA-N	238.096	-0.909	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376056	GCRPUAZTHSUROA-JQCXWYLXSA-N	240.112	-0.661	50	10	BBGE	
C[C@@H](O)CCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2299514277	GHQJBJGHURHSIL-OPRDCNLKSA-N	243.112	-0.141	50	10	BBGE	
CC[C@@](C)(Cn1cnc(C)cc1=O)C(=O)NN	2303440609	ZJSXMCJMSKCMQF-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
OB(O)c1cc(N2CCCOCC2)ncc1F	2303835192	SDNCMSFUVBIUCB-UHFFFAOYSA-N	240.043	-0.873	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCCNC2)ncc1F	2303847397	IMHKYFXLWRJZTC-ZETCQYMHSA-N	239.059	-0.936	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3occc3B(O)O)C[C@H]12	2312849158	INVPGNMXOHTKHE-DJLDLDEBSA-N	249.075	-0.313	50	10	BBGE	
C=C1COC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349902	KRSHGFFVYRMRMZ-GFCCVEGCSA-N	247.059	-0.454	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2321008086	GKHMTIVIELGTTK-MWLCHTKSSA-N	248.091	-0.236	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2O[C@H]3CC[C@H]2C3)nc1	2327594005	JSHZSXFDHYWJNA-INTQDDNPSA-N	248.091	-0.259	50	10	BBGE	
CN(CCO)[C@@H](C(=O)NN)c1ccccc1	82468848	GKTVSMJRQIAROS-SNVBAGLBSA-N	223.276	-0.358	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CCCO1	82469321	BDBWFBIROAKIDG-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@]1(C)NC(=O)N(CCC(=O)NN)C1=O	82470934	PTHYPPBWMGHXPZ-SECBINFHSA-N	228.252	-0.913	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)no1	126191277	HKPPGUQPKVWEIV-MRVPVSSYSA-N	239.231	-0.077	50	10	BBGE	
CC(=O)NS(=O)(=O)CBr	127217495	RSZPRMNODJAVAU-UHFFFAOYSA-N	216.056	-0.195	50	10	BBGE	
C[C@H]1[C@@H](C)SCCN1C(=O)C(=O)NN	132613596	KUUUMGWFTFOCMF-NTSWFWBYSA-N	217.294	-0.671	50	10	BBGE	
NC(=O)OCCNS(=O)(=O)CCCCl	135273016	NWFYJQMEHQVJKX-UHFFFAOYSA-N	244.700	-0.370	50	10	BBGE	
O=C(NCCCCl)C(=O)Nc1nc[nH]n1	170359317	YVYFXSOAHXVIEA-UHFFFAOYSA-N	231.643	-0.512	50	10	BBGE	
COCOCc1cc(F)ccc1B(O)O	197413020	YZAXIMTYSNWKRC-UHFFFAOYSA-N	214.001	-0.374	50	10	BBGE	
Cc1ccc(=O)n(Cc2cccc(B(O)O)c2)n1	203335246	JDTDZLWEXOGJTJ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC(C)Cn1c(N)nc2ccc(B(O)O)cc21	203540759	ZSUSRYHFABTMOT-UHFFFAOYSA-N	233.080	-0.046	50	10	BBGE	
N[C@@](CCCCB(O)O)(C(=O)O)[C@@H]1CCNC1	203707106	VSMNBLJMRLYUTE-PSASIEDQSA-N	244.100	-0.979	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@@H](CO)O1	230057890	GQBYVFMDWWISRQ-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H]1COCCN1[C@@H](COC)C(=O)NN	232419258	HCQSHNIYQGPEJS-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CCN(C1CCNCC1)[C@@H](COC)C(=O)NN	232420104	IBTTZZPVOKPJFG-JTQLQIEISA-N	244.339	-0.935	50	10	BBGE	
[N-]=[N+]=N[C@@H](CCCC(=O)NN)C(=O)O	238656449	HNFXJXCBQWWWSL-BYPYZUCNSA-N	201.186	-0.090	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCCO1	251239217	SOCYEGZFFBATJX-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1	306176638	WRDFSYNRLAXIKU-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
COC(=O)C(F)(F)c1ccc(B(O)O)cn1	309376378	VODPHKTZUWIQAE-UHFFFAOYSA-N	230.963	-0.974	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1CCCCO1	379236467	SQVFDNFGDZEIAO-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
CCOC(=O)CCc1ccccc1B(O)O	396091621	DAKBHKBSLQFDBO-UHFFFAOYSA-N	222.049	-0.138	50	10	BBGE	
COc1cc2c(B(O)O)cn(C)c2cn1	686188084	WFHBAXQBNWMROU-UHFFFAOYSA-N	206.010	-0.738	50	10	BBGE	
NNC(=O)C(=O)N(CC(F)F)CC1CC1	688850713	HNUNDYRBRVUFOM-UHFFFAOYSA-N	221.207	-0.520	50	10	BBGE	
COC[C@H]1CCCN1[C@H](C)CC(=O)NN	696548819	MBJGGYYWHMPEJP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](CCF)C1	700560794	LWCUJHWNUXNADS-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
C[C@H]1CCC[C@@H](S(=O)(=O)NCB(O)O)C1	701949853	JXYFLXDQXBPEGK-JGVFFNPUSA-N	235.114	-0.504	50	10	BBGE	
COc1cccc(O)c1C(=O)NCB(O)O	701955075	JGRZFUZLHYECAN-UHFFFAOYSA-N	225.009	-0.857	50	10	BBGE	
C[C@@H]1COC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	703425004	LSFIJYGDEXHYRX-XGEHTFHBSA-N	225.244	-0.062	50	10	BBGE	
CN(CCc1nn[nH]n1)S(=O)(=O)CCl	707597808	JOOYFHQIESWLBS-UHFFFAOYSA-N	239.688	-0.800	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710477223	NUIWHELJYYQYRT-DBIOUOCHSA-N	241.335	-0.154	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](O)c1ccc(C#N)cc1	780907064	JINVRNRGIBAZQN-VIFPVBQESA-N	248.242	-0.448	50	10	BBGE	
CC[C@@H]1COCC1=NNC(=O)[C@@H]1COCCO1	853315448	RTOGOQYYARZQIX-SCZZXKLOSA-N	242.275	-0.070	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12C[C@H]1COC2(C)C	854155938	ZJQSJWNREOIKGT-OIBJUYFYSA-N	212.249	-0.031	50	10	BBGE	
CCC1(C(=O)NNc2nnc(C)n2C)COC1	856049395	HWJHRAHLEIHYPK-UHFFFAOYSA-N	239.279	-0.007	50	10	BBGE	
Cc1nnc(NNC(=O)COCC(F)F)n1C	862219424	RNLYOQGQMQUGKM-UHFFFAOYSA-N	249.221	-0.152	50	10	BBGE	
CN(NC(=O)Cc1c(O)ncnc1O)C1CC1	911297221	UIQNUVQAVPTUIN-UHFFFAOYSA-N	238.247	-0.444	50	10	BBGE	
O=C(NNC(=O)[C@]1(F)CCOC1)[C@H]1CCCO1	1324359228	JCSOAWMNYXEINR-XCBNKYQSSA-N	246.238	-0.559	50	10	BBGE	
CN(NC(=O)CCCCCO)C(N)=O	1466168131	UDOXFYKFWUSDBJ-UHFFFAOYSA-N	203.242	-0.419	50	10	BBGE	
Cc1nnccc1C(=O)NNC(=O)N(C)C	1597966132	MQHYJMNVQWEKCM-UHFFFAOYSA-N	223.236	-0.299	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)c1cccnn1	1636851688	QHZRJALKMMSYKZ-MRVPVSSYSA-N	238.247	-0.746	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)c1cc[nH]n1	1641298905	VALRZWZLQIYDLJ-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
NC(=O)N1CC(CNS(=O)(=O)CCl)C1	1875454350	UEHNODUBYIQVOY-UHFFFAOYSA-N	241.700	-0.887	50	10	BBGE	
CO[C@@H]1[C@H](OC)CN[C@H]1C(=O)CCl	1878008142	HIVYCODLZICZRA-GJMOJQLCSA-N	207.657	-0.204	50	10	BBGE	
O=C1N[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]2O1	1884552138	YPPOHLCIBZNJPV-XVMARJQXSA-N	220.656	-0.621	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)S(=O)(=O)CCl	1884852817	LBTSKUVFTSEXDM-RQJHMYQMSA-N	243.712	-0.142	50	10	BBGE	
C[C@@H](CO)N(C)CC1(C(=O)NN)CC1	1888439419	PJQMRZYKSLEPEP-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@H](COC)C(=O)NCB(O)O	1890269666	LKJNEFWEOHFHIK-SSDOTTSWSA-N	203.047	-0.823	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCO[C@@H](CO)C1	1893470937	YDHTVKQPQRHFIT-BWZBUEFSSA-N	219.668	-0.167	50	10	BBGE	
CO[C@@H]1CCN(c2nc(B(O)O)cs2)[C@@H]1C	1896024233	YVNHMUHDPKVWOA-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271874	JNMOCSCOILACSL-GUBZILKMSA-N	226.324	-0.611	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@H]2CF)c1	1896775749	ODOFYOQMFSDDIN-YUMQZZPRSA-N	225.028	-0.254	50	10	BBGE	
Cn1cnc(B(O)O)c1C(=O)OC(C)(C)C	1900430164	UMRPTBSODZAWBR-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
CC(C)=C(CN1CC[C@@H]1CN(C)C)B(O)O	1901623447	YTVUQNSKGRBTKZ-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
CC[C@@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	1902516032	PEBFOFFGNASAKS-BDAKNGLRSA-N	228.101	-0.550	50	10	BBGE	
OB(O)c1csc(CO[C@H]2C=CCOC2)n1	1902652348	GHFXRWUVKIWJQC-ZETCQYMHSA-N	241.077	-0.706	50	10	BBGE	
CC[C@@](C)(CN(C)CC[S@@](C)=O)C(=O)NN	1902715297	GBCMJRPIVXNYGY-MGPLVRAMSA-N	249.380	-0.297	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC1(O)CCC1	1914572663	AXBBHXPOKWCMHW-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](CF)C1	1927908095	MXQQDYHLWIDGRL-DJLDLDEBSA-N	215.272	-0.096	50	10	BBGE	
N#Cc1cnn(C[C@H]2C[C@H]2C(=O)NN)c1	1927910045	CCRICBTYOJYUOP-HTQZYQBOSA-N	205.221	-0.619	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2C[C@@H]2C1	1927914851	YYERXVQGSYIHDT-ZYUZMQFOSA-N	209.293	-0.046	50	10	BBGE	
Cc1nc(CC(=O)NNCCO)cs1	1929840677	WJCSXZICRPMKSO-UHFFFAOYSA-N	215.278	-0.393	50	10	BBGE	
CCCN(CCCO)[C@@H](C)CC(=O)NN	1930056240	LYQAPRHIVSKBBF-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C(F)(F)C12CC2	1931751497	PJPKRUNDRRYEBP-GSVOUGTGSA-N	221.232	-0.104	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]1(C)CO	1932967355	MFCVOQRWVDQDEU-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@@H]2C(=O)NN)ccc1=O	1936079940	HIZZWGSQTKSOFR-IUCAKERBSA-N	221.260	-0.217	50	10	BBGE	
CCO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088039	JCYOGNRNRKRYKA-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@@H]1COC[C@@H]1Cl	1939166827	LVJXBRNOMOZMKM-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
CC(C)[C@@H](OCCO[C@@H]1CCOC1)C(=O)NN	1940247223	YHPCUKFRNJBCQZ-NXEZZACHSA-N	246.307	-0.177	50	10	BBGE	
NNC(=O)CCN1CC(N2CCCCC2=O)C1	1940288989	BNQNKRABLQWLFJ-UHFFFAOYSA-N	240.307	-0.937	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083918	UYMVRWOJQWITEO-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CC(C)(C)CN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1941086303	IIGZUIJDNJNPIJ-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CN(CCn1ccnc1)C[C@@H]1C[C@@H]1C(=O)NN	1944475434	LQQYUFHBUWYAHY-UWVGGRQHSA-N	237.307	-0.559	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](O)(COC)C1	1946479991	YZPLPTITBLVUMW-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C(F)(F)C2	1950058240	MHEBWBPXQOLYTP-FXQIFTODSA-N	249.261	-0.279	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NCC(Cl)Cl	1953764324	DSECDQVZGFFKHA-NQXXGFSBSA-N	215.080	-0.386	50	10	BBGE	
CCCOC1CN([C@H](CC)C(=O)NN)C1	1958195112	FTOFTTPMWFBBOM-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
CCCOCC1CN(CCC(=O)NN)C1	1960433824	DCRVGTOMADFDTK-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)CC1(C)C	1961394896	XJARFPDTJDEXBV-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1C[C@@H](C)C(=O)NN	1961550215	AJPYGPSSDBTZLJ-VGZKNDNBSA-N	233.337	-0.935	50	10	BBGE	
CN(CCCF)c1ccc(B(O)O)cn1	1961689737	CNCGSYNVQJOGSI-UHFFFAOYSA-N	212.033	-0.443	50	10	BBGE	
CCCCN(C)c1ccc(B(O)O)cn1	1961689771	DESRVZNBUQQNNG-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
CCO[C@H]1CCCC[C@H]1NC(=O)C(=O)NN	1977514763	MIOYZEGVUHEVOH-SFYZADRCSA-N	229.280	-0.560	50	10	BBGE	
CC[C@H](COC)N(C)C[C@H]1C[C@@H]1C(=O)NN	1979240642	FKKBXLREMKULSH-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC3(CC3)CO2)c1	1979361863	NPFJCPSVGGYRPQ-SECBINFHSA-N	222.053	-0.868	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	1980719457	WVHDMNIDXPGWMZ-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](CF)C1	1981423329	BZXOMOFTBCUKAF-QMMMGPOBSA-N	224.044	-0.443	50	10	BBGE	
CC1(Oc2ncncc2B(O)O)CCCC1	1981424793	YNSMSMVFZNVWFB-UHFFFAOYSA-N	222.053	-0.132	50	10	BBGE	
Cc1ncnc(N(C)CC(F)F)c1B(O)O	1981444941	AOGJHAIULLLAPF-UHFFFAOYSA-N	231.011	-0.834	50	10	BBGE	
NNC(=O)CCCN1C[C@H](C(F)F)CC1=O	1982223455	BNYGESSMEDHUBZ-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H](CCl)[C@@H](F)C2)n1	1983550913	JSRRPGPGUGJMTD-WDSKDSINSA-N	247.661	-0.141	50	10	BBGE	
O=C(O)CN1CC[C@H](NC[C@@H]2C[C@@H]2Cl)C1=O	1991439612	UCFQTKDQJGSGKK-FXQIFTODSA-N	246.694	-0.111	50	10	BBGE	
N=C(NO)c1c[nH][nH]c1=NC(=O)[C@@H]1C[C@H]1Cl	1991684143	AFZGBQRTJOGVCM-NQXXGFSBSA-N	243.654	-0.298	50	10	BBGE	
C=C(CN1CCN(CC(C)C)CC1)B(O)O	1992160452	WMRKPGORBHMEJS-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([C@@H](F)CO)C1	2001908669	DMLDVSXISOEMLF-VHSXEESVSA-N	247.314	-0.347	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@@H](C(=O)NN)C(C)C)C1	2002123043	SEWCTPJYKGCCJF-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
OB(O)c1cnccc1-n1cnc(C2CC2)n1	2005008279	VHNNYJMMLWRWJO-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
COCC1CN(c2ncc(C)cc2B(O)O)C1	2005013779	ANINKTZJWIHXQW-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(C)(F)F)n1	2005017108	ZUWAIHYCIBIRFU-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
COCCCN(C)c1ccc(B(O)O)c(C)n1	2005018036	NQEGYGRQJSVFOY-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
CCN(CC)[C@@H](C)CO[C@H](COC)C(=O)NN	2007004858	GIPQHVIZXGZUEA-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1C[C@@H](C)O	2013007387	XSEDUQJJIBATQS-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1cc(F)cnc1OC[C@@H]1CCCO1	2014927668	DLCLTACMQQUJJN-QMMMGPOBSA-N	241.027	-0.542	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CC[C@H]2C1	2014928554	GITYLJDJZWDBBU-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CN(Cc1ccnn1C1CC1)C(=O)C(=O)NN	2018402294	UOHIJUDUKWLAAH-UHFFFAOYSA-N	237.263	-0.834	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@@H](C)CO1	2019219729	PUWCQILCUVEULJ-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
Cc1ccc(O)c(C(=O)NCC=CB(O)O)c1	2020062053	NGAWNFCVZHXEAY-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
C=C(CN1CCO[C@@H]([C@@H]2CCCO2)C1)B(O)O	2021158912	KHEQJDOAYGRYHE-WDEREUQCSA-N	241.096	-0.566	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CC[C@H](O)C[C@@H]2C1	2024502456	IEWYBWWMFPXISB-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)c1cncc(Cn2cnccc2=O)c1	2027475138	PWDVHCKXWLXLQC-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CC1)c1ncncc1B(O)O	2052467250	OMDAKSFONJJDSO-NXEZZACHSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)nc1	2052490599	CUGWFSXRJZOBON-VQFQEQAESA-N	246.075	-0.420	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)ncc1B(O)O	2052555188	DNPZGJOILIBNTQ-REIXXSIJSA-N	245.091	-0.691	50	10	BBGE	
OB(O)c1ccc(-n2cnc(C3CCC3)n2)nc1	2052597044	GIUVBRQDYGBKFM-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
NCc1cccc(B(O)O)c1C(F)(F)F	2059116308	AXYDABHCTSDCGD-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
O=Cc1ccc(B(O)O)c(F)c1Cl	2060110321	OVMPORYOCUJPFE-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
Cc1ccnc(N2O[C@H]3C=C[C@H]2CC3)c1B(O)O	2077855759	OMXQNRHOCYPHBC-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CSC1CNC1	2209907183	RZSWUURTVZDIMZ-XPUUQOCRSA-N	215.322	-0.293	50	10	BBGE	
OB(O)c1ccnc(N2CC(F)(F)C2)c1F	2212603150	CQNAVZKBLMOZIM-UHFFFAOYSA-N	231.970	-0.644	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1C	2212603387	OTBWQGGIIMDWMQ-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H](CO)CC1CC1	2213913224	XPEGRVFIQOVDST-JTQLQIEISA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC([C@H](F)CO)C1	2215776204	LLMSYPBGLGBOFT-FXBDTBDDSA-N	245.298	-0.735	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2CCO[C@H]2C1	2215778064	XCHNNCUMROOGQN-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CNC2=O)CCCC1	2216867093	OQPCSRGSLXUEMQ-UHFFFAOYSA-N	240.263	-0.912	50	10	BBGE	
CC[C@@H]1CN(c2cc(B(O)O)ccn2)CCO1	2217171494	BGVMVWYWYKVPBV-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(N(C)C[C@H](C)CO)cc1B(O)O	2217179635	AFPONJGEPLVPCD-QMMMGPOBSA-N	238.096	-0.866	50	10	BBGE	
COC[C@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2217180809	LBQLXZIHMFBDFJ-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3C[C@@H]32)c1F	2217181467	QFNNCHBKELYHSX-APPZFPTMSA-N	236.055	-0.111	50	10	BBGE	
CCCN(CCN)c1nccc(B(O)O)c1F	2217187051	SLFRQPJVXXXBBL-UHFFFAOYSA-N	241.075	-0.924	50	10	BBGE	
Cc1ccc(Oc2ncc(B(O)O)cn2)cn1	2217192232	XNFFRPFIZFZTCQ-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
CCOC[C@@H](C)Oc1nccc(B(O)O)c1F	2217193908	YJHOSISDZHDYLD-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
C#CC#CC(C)(C)Nc1ncccc1B(O)O	2217197177	YHVIMIGYTUKKHE-UHFFFAOYSA-N	228.060	-0.412	50	10	BBGE	
CC(C)[C@](C)(CN)Nc1ccc(B(O)O)cn1	2217201211	XDWGRNPWUXKAIV-NSHDSACASA-N	237.112	-0.453	50	10	BBGE	
CCCC1(Nc2cc(B(O)O)ccn2)CNC1	2217202438	WQVHTACXJJRYIH-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@@H]1C[C@@H]1C(=O)NN	2217259355	SWYOJOKJEUVIOD-BQBZGAKWSA-N	240.238	-0.683	50	10	BBGE	
CN(Cc1cnccn1)C[C@@H]1CC[C@H]1C(=O)NN	2221571879	IEVKSZPOIVWCAQ-GXSJLCMTSA-N	249.318	-0.076	50	10	BBGE	
Cc1cnc(OC2(C3CC3)CNC2)cc1B(O)O	2223616996	ANTKMXUVOFVADH-UHFFFAOYSA-N	248.091	-0.799	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CC[C@H]2CNC3)c1	2223634666	NKSDUJJWVWBSEI-CABZTGNLSA-N	247.107	-0.827	50	10	BBGE	
CCNC1CCN(c2ccc(B(O)O)cn2)CC1	2223635153	SZRCDHHERZFQFL-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CNC[C@H]32)cc1B(O)O	2223642033	FJHNBXKPYOFJSC-IQJOONFLSA-N	247.107	-0.910	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCCN2)cc1B(O)O	2223652223	GVKGQRMNVHPIEQ-JTQLQIEISA-N	249.123	-0.376	50	10	BBGE	
O=C(C#CB(O)O)NCC=C(Cl)Cl	2241468437	OISNZVOMPNBSIM-UHFFFAOYSA-N	221.836	-0.563	50	10	BBGE	
CSSCCNC(=O)[C@H]1C[C@H]1B(O)O	2241479911	GOGCMAIWAYDXBF-NTSWFWBYSA-N	235.139	-0.023	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]1[C@H](O)CO	2241826670	VHUBOVLEYQOPGL-DSYKOEDSSA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2242756971	HHSMHYQHTSQIJP-LURQLKTLSA-N	249.694	-0.399	50	10	BBGE	
CCCN(CC)C(=O)c1ccoc1B(O)O	2243350278	YMIMTYHCUZGETH-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
CCCS[C@H]1CCN(C(=O)C#CB(O)O)C1	2243362988	ZKXHWGZUAUEEQN-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)N2CCC2)c1C	2243378629	WTWCAIDNFSCYLW-UHFFFAOYSA-N	239.105	-0.109	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(B(O)O)sn1	2243378812	ZSPWGJJBTKKVEY-LURJTMIESA-N	238.077	-0.895	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(B(O)O)sn1	2243378813	ZSPWGJJBTKKVEY-ZCFIWIBFSA-N	238.077	-0.895	50	10	BBGE	
C#CCN(CC(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2243392828	XKVRKKYSRFQCHZ-BQBZGAKWSA-N	231.007	-0.424	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397095	VMHAQAJLSRXDQQ-CIUDSAMLSA-N	229.085	-0.267	50	10	BBGE	
CC=CCCNC(=O)c1ccc(B(O)O)o1	2243404389	NGNQRYKZTAQRJW-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C#CC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243404442	ODPOBAZGTLOJFJ-IUCAKERBSA-N	221.065	-0.231	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)s1	2243407359	QEVSVKARQPOIBB-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C(F)F	2243410074	UZYLXKIYTHJFAS-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
CC(=O)NC(=O)c1cccc(B(O)O)c1Cl	2243410886	JPZRPDOMFHOVMF-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
C=C(C)COCCNC(=O)[C@H]1C[C@H]1B(O)O	2243414752	HQNQEJMUNMZAFZ-DTWKUNHWSA-N	227.069	-0.442	50	10	BBGE	
COCC(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427668	YWJBRAGCOHXJBX-YUMQZZPRSA-N	229.085	-0.362	50	10	BBGE	
CC1(NC(=O)NCCC#CB(O)O)CCC1	2244535358	VOXYISOTLAFWRV-UHFFFAOYSA-N	224.069	-0.366	50	10	BBGE	
C[C@@H](C(=O)NCCC#CB(O)O)C(F)(F)F	2244545946	DXRKVVLJRURWPW-LURJTMIESA-N	236.986	-0.294	50	10	BBGE	
C[C@@H](C(=O)NCCC#CB(O)O)C(C)(F)F	2244548018	JJPFSVPBNHUACD-ZETCQYMHSA-N	233.023	-0.201	50	10	BBGE	
CC[C@H](C(=O)NN)n1cc(S(C)(=O)=O)cn1	2245204464	RZENSRDDVQVBDO-SSDOTTSWSA-N	246.292	-0.772	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1coc(B(O)O)c1	2247734076	RICKJXCNZWETSN-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccccc1C#N	2247740586	MRFVUTRDFUQYKA-UHFFFAOYSA-N	228.016	-0.464	50	10	BBGE	
CC1(C)CCNC[C@H]1NC(=O)C1(B(O)O)CC1	2247750875	PFOLTOSLOBHIMB-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1CNCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247790264	GIKWPXIWEUMOCR-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247798350	SOLBRRZMBLAUDR-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809060	NKHPEBZEVCEKLN-ZKCHVHJHSA-N	237.068	-0.379	50	10	BBGE	
CCO[C@@H](CNC(=O)C#CB(O)O)C1CCC1	2247849834	FZACFGDYTQFBLO-JTQLQIEISA-N	239.080	-0.677	50	10	BBGE	
CCCCN(C)C(=O)c1ccc(B(O)O)cn1	2247869875	ZVUAOJMDMXOAFD-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1CN	2247870207	GKAKQIOVIBMLEH-BDAKNGLRSA-N	240.112	-0.563	50	10	BBGE	
NC[C@@H]1C[C@@H](F)CN1C(=O)C1(B(O)O)CCC1	2247875046	RUCGBCSTYYQCCK-SFYZADRCSA-N	244.075	-0.719	50	10	BBGE	
Cc1nocc1CNC(=O)C1(B(O)O)CCC1	2247879718	XGIQLPZECNDBRN-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCCNC1	2247894116	CMOJSGOILOILFL-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
COCCC1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898159	AUFKYUCLJLZTOT-YDYPAMBWSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1CCN1C1CC1)[C@H]1C[C@@H]1B(O)O	2247899971	RWQTVCACLFCLLI-GUBZILKMSA-N	238.096	-0.798	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248081603	SSJFJWHLHRNMIF-RULNZFCNSA-N	237.259	-0.993	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)C1(B(O)O)CCC1	2248577388	MLVIQKUUVMXKNN-UHFFFAOYSA-N	241.052	-0.517	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)C1CC(B(O)O)C1	2249067754	PEBDJKPFDHFTLO-UDNWOFFPSA-N	239.080	-0.347	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249420631	WXEBFTJCPWOVEL-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251005541	VXJLDZRSGHIEGT-QLEHZGMVSA-N	241.096	-0.389	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1[C@H]2COC[C@H]21	2254118295	YVKRBRRPOMAEPE-JGPRNRPPSA-N	249.075	-0.659	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cc(B(O)O)cn1C	2255510503	XCDFXPPCVCTNOV-VIFPVBQESA-N	248.091	-0.906	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)[C@H]1C[C@H]1C	2255518185	ZLEXNZMKZBGBSM-VGMNWLOBSA-N	248.091	-0.464	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2255561675	KTNYTQZAXIMZMC-KNVOCYPGSA-N	246.035	-0.460	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]c1	2255687592	JSEDEQCAXUNHRP-DTORHVGOSA-N	245.047	-0.433	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1ccoc1B(O)O	2255715121	AVQRHGWKNNIDJR-SCZZXKLOSA-N	249.075	-0.122	50	10	BBGE	
CC1CC(CNC(=O)c2cncc(B(O)O)c2)C1	2255717088	WIKFIDUDRQBELJ-UHFFFAOYSA-N	248.091	-0.463	50	10	BBGE	
Cc1cnc(NC(=O)c2occc2B(O)O)cn1	2255732809	BBXCOXCKODWCFQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NCCc1ccoc1)c1cocc1B(O)O	2258145864	FWYOSCHOVWQVDZ-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2298166118	UUYDZHIXMOIPBG-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1N(C(=O)[C@@H]2C[C@@H]2B(O)O)CCOC1(C)C	2298368467	GLKGCKBXNFDYMT-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370058	NFLLFDQRRRYNEX-QCBRBAQYSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)CCO[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376504	ZDNXWPVONGAGQF-HLTSFMKQSA-N	241.096	-0.219	50	10	BBGE	
N[C@@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377216	IKHNRRJEFKUBMK-JLIMGVALSA-N	240.112	-0.517	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298377296	LTSZJSICBIABKB-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
CC12CC(C1)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)CO2	2300512670	GPXLBEJCZOVWOS-FSAQAKCPSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](CO[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	2301612986	BGRSUQFKCBRZHG-IWSPIJDZSA-N	239.279	-0.376	50	10	BBGE	
CC[C@@](C)(CN1CC(=O)NC[C@@H]1C)C(=O)NN	2303427079	VFKUWIQPQBDXQA-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](Nc1ncccc1B(O)O)C2	2312612303	OOFYXYBVDRHQFZ-FOGDFJRCSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@H](N)C1	2317160367	CQQTYOYPXRRZBP-NSHDSACASA-N	245.091	-0.834	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H](N)C1	2317164919	FSJLDVBVPVXLRU-MNOVXSKESA-N	245.091	-0.470	50	10	BBGE	
O=Cc1ccc(N2CCO[C@H]3C[C@@H]32)cc1B(O)O	2317350044	MUJHRLSVYDUPBH-RYUDHWBXSA-N	247.059	-0.844	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)NCc1ccccc1	34584107	IQXHEXAQVVOKSY-MRVPVSSYSA-N	236.275	-0.136	50	10	BBGE	
CCCC(=O)NCC(=O)NNc1ncccn1	49141598	WCLGWJSQNQMHRS-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
CCCCn1nc(C)cc(C(=O)NN)c1=O	82450121	KMDCOBVCPIXNGP-UHFFFAOYSA-N	224.264	-0.045	50	10	BBGE	
C[C@H](CN)SC[C@H]1CC[C@H](C(=O)NN)O1	85303097	HUPPUCCAYIUIGL-BWZBUEFSSA-N	233.337	-0.396	50	10	BBGE	
CCN(CC(=O)NC(C)C)C[C@@H](C)C(=O)NN	110591340	UNDYZJYDYMUROT-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)CCOC	124258745	CNRPNKPRUBZXNI-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
Cn1nccc1S(=O)(=O)NCCCl	129827899	JEQTYWQXFXZJOA-UHFFFAOYSA-N	223.685	-0.063	50	10	BBGE	
NNC(=O)c1cc(N2CCNCC2)ccn1	165600726	MKIMEFCRZHIESY-UHFFFAOYSA-N	221.264	-0.905	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@@H](N)C1	203222840	ACMIYGHWVAPPFC-MRVPVSSYSA-N	224.264	-0.584	50	10	BBGE	
C[C@H](O)CN/C=C(/C#N)C(=O)NCCCl	217236331	HYEFRZQQZXNVHU-VQKCLUMFSA-N	231.683	-0.281	50	10	BBGE	
CC[C@@]1(O)CCC/C(=N\NC(N)=O)[C@@H]1O	238279061	XLBAMGWFSVVUOJ-BTNKMJATSA-N	215.253	-0.303	50	10	BBGE	
O=C(O)Cc1cc(B(O)O)cnc1Cl	238633753	SOOIJPXOCONFSY-UHFFFAOYSA-N	215.401	-0.958	50	10	BBGE	
CNC(=O)CS[C@@H](C)[C@@H](C)C(=O)NN	300859327	UXWNXIOAHTYOIL-RITPCOANSA-N	219.310	-0.520	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=S)nn1	306653830	JFCGWAQKJXSWRE-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)[C@H]1CCCO1	309476978	SDAWSYFPWNJJNQ-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCNC1)C1CC1	309663969	ZMBJMQNBSXXSSC-MRVPVSSYSA-N	211.265	-0.457	50	10	BBGE	
COC(=O)C(=NO)C(=O)OCCCl	383686903	ORHUOXWLRAODCA-UHFFFAOYSA-N	209.585	-0.228	50	10	BBGE	
OB(O)c1ccc([C@@H]2COCCN2)c(F)c1	383716055	TXGRHIAGGFSDNB-JTQLQIEISA-N	225.028	-0.834	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CCOC[C@H]1C	390404165	AZSSGXQYOBCZBX-APPZFPTMSA-N	229.280	-0.832	50	10	BBGE	
CCOc1c(CC(C)=O)cccc1B(O)O	396080749	XVNIKKLBGKEDQU-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
COCCCCN(C)[C@H](C)C(=O)NN	397130930	RFJRBFNMMYQJST-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)Nc1cccc(B(O)O)c1	405031436	PSOFPBTWRXUSLD-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
CC(C)COC(=O)Nc1cccc(B(O)O)n1	405182067	IZTYDYIHAIOEBJ-UHFFFAOYSA-N	238.052	-0.034	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C(=O)O1	688530159	KGGXSGUSKSNIHC-PRJMDXOYSA-N	243.263	-0.635	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccc1C	690066186	LVWCRVNNEKVOMU-GXSJLCMTSA-N	249.075	-0.352	50	10	BBGE	
CC[C@H](C)n1ccc(Cn2ccc(B(O)O)n2)n1	694271806	RWJJGEQYRSIFRA-VIFPVBQESA-N	248.095	-0.221	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cccnn1	700691238	DSXYXKBKHITZIU-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
CO[C@@H](CN(C)CCC(=O)NN)C1CC1	701420954	LTTGGBXHZVESLS-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1coc(CN2CC(C(F)F)C2)n1	706492328	MEGWCLMMRIVJIG-UHFFFAOYSA-N	246.217	-0.025	50	10	BBGE	
O=C(CBr)N[C@H]1COCC[C@@H]1O	710941660	ASDKWSZFEZZPGF-WDSKDSINSA-N	238.081	-0.353	50	10	BBGE	
BrCC1CN(CCn2cnnn2)C1	712528944	QNQQFTMSOCYHIG-UHFFFAOYSA-N	246.112	0.000	50	10	BBGE	
Cl[C@@H]1CCOC[C@H]1NCCn1cnnn1	712594632	RXMPEUKQHOXEBT-HTQZYQBOSA-N	231.687	-0.341	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)c1nc[nH]n1	752237334	TVKXKJJBRHHQEJ-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)c1cccc(C#N)c1	786898911	GRULKMJFXSWAMI-ZETCQYMHSA-N	233.227	-0.300	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCn2ccnc2C1	1136046253	QVJKCZXOCLXJRD-QMMMGPOBSA-N	222.248	-0.387	50	10	BBGE	
CC(=O)NNC(=O)c1cncc(C=O)c1	1136046279	SAFFYANSMGJLQC-UHFFFAOYSA-N	207.189	-0.325	50	10	BBGE	
O=C(CBr)NCC1OCCO1	1144199112	QGMXUVDKYIFGCA-UHFFFAOYSA-N	224.054	-0.130	50	10	BBGE	
O=C(NNc1ccc(F)cn1)C1(O)COC1	1154194185	GEFSTLDNENRDHY-UHFFFAOYSA-N	227.195	-0.575	50	10	BBGE	
COc1nc(C(=O)NNC(=O)C(C)(C)O)co1	1154456657	FMMQETDSACDOQK-UHFFFAOYSA-N	243.219	-0.785	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccncn2)n1	1161285552	ROFTWEMYDWVIIX-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1cnnn1C	1261772523	AEFDEXKWGKIAFE-MRVPVSSYSA-N	211.225	-0.805	50	10	BBGE	
Cn1ccnc1CN1CC[C@@H](B(O)O)C1	1351728054	CPQYQNNGPVELKS-MRVPVSSYSA-N	209.058	-0.531	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCNC(=O)CC1	1440723209	RPUOMXIGFAIMDM-SSDOTTSWSA-N	213.237	-0.930	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)c2cccnn2)C1	1558131031	MENDNBKRSRIQRW-ZETCQYMHSA-N	248.242	-0.393	50	10	BBGE	
C[C@H](O)C(=O)NCCSSCCN	1882342582	WGSMDEGALPYGTO-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
N[C@@H](C(=O)NC1CC(Cl)C1)C1COC1	1884419222	FPLKVYBVEPNFTG-KAVNDROISA-N	218.684	-0.154	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1S(=O)(=O)CCl	1885617314	VWLSXQMMLVNTRX-PHDIDXHHSA-N	243.712	-0.672	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@@H](C)C(=O)NN	1885791154	RGLGYRWQNXJOAB-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
O=C(O)Cn1cc(CNC(=O)F)nn1	1887186161	JFARXPJLARSJBV-UHFFFAOYSA-N	202.145	-0.458	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)C(=O)F	1887188181	MNZLDQHSYQITIY-WDSKDSINSA-N	225.241	-0.180	50	10	BBGE	
NC1CN(CC(=O)NC[C@@H]2C[C@H]2Cl)C1	1893126780	CUOIZZBYPPGGQN-POYBYMJQSA-N	217.700	-0.627	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C1(O)CNC1	1893460445	FSCQGKYYAPEQIA-XVMARJQXSA-N	218.684	-0.547	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@H](CC)C(=O)NN	1899745363	UCLBUUFDBNJZFO-BBBLOLIVSA-N	227.308	-0.234	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)[C@H]1C[C@@H]1B(O)O	1900275198	WARWPUIUMIKWAR-FXQIFTODSA-N	228.101	-0.661	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@](F)(C(F)F)C1	1900596354	JIGUOHLFNMGDOM-MRVPVSSYSA-N	234.970	-0.793	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@](C)(O)C1	1901104456	FUYQNNOTJAIVRF-BKPPORCPSA-N	221.684	-0.042	50	10	BBGE	
CN(C(=O)CN1CC[C@H](B(O)O)C1)C1CC1	1902515670	JUVKSEWZVWRHMW-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
C[C@H](O)CN(C1CCCC1)[C@H](C)C(=O)NN	1902650328	VSEFKBDOZXKPNJ-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@@H]1C)C(=O)NN	1902707137	QXNPKWMHNBHYKM-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](CO)Nc1cc(B(O)O)c(F)cn1	1903006021	OCBNXWVJGWSRNF-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
COC[C@@H]1C[C@H]1Cn1nc(C)c(B(O)O)c1C	1909212046	BPWOFRMUUPHIAC-UWVGGRQHSA-N	238.096	-0.538	50	10	BBGE	
CC(C)(C)NC(=O)Nc1ncccc1B(O)O	1913652299	NSCAZRYFODPEET-UHFFFAOYSA-N	237.068	-0.319	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC2(COC2)C1	1915566720	HLSDRFKMLSGBOX-BDAKNGLRSA-N	225.292	-0.665	50	10	BBGE	
N#CC1=CCN(C[C@]2(O)CCNC2)CC1	1917083254	ZVFKFAUXTHSFJS-NSHDSACASA-N	207.277	-0.134	50	10	BBGE	
N#CCCS(=O)(=O)N1CCC(O)(C#N)CC1	1925838147	OBPGCOSHPYPMSK-UHFFFAOYSA-N	243.288	-0.420	50	10	BBGE	
CC(=NNC(N)=O)[C@@H]1CCCS(=O)(=O)C1	1928387587	JMGRRIKVARZGSL-SSDOTTSWSA-N	233.293	-0.145	50	10	BBGE	
CCC[C@@H](C)CCNC(=O)C(=O)NN	1928855269	SFXBVCICDJBKHO-SSDOTTSWSA-N	201.270	-0.081	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	1928924872	GDVHSGQGFKHRNV-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(F)C1	1932099573	PJOUIGNJNCXWHK-APPZFPTMSA-N	219.260	-0.575	50	10	BBGE	
CCN1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1936094361	MMPIUSLYPLTFJI-ZJUUUORDSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](CN1C[C@H](O)CCC1(C)C)C(=O)NN	1939464443	IUPBZLSSSCQZRR-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1[C@@H](CO)C2)C(=O)NN	1939966984	IXILWBJLUUIPFQ-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941289304	WOGRFRDFDPDJLV-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
CCN(CC(=O)N(C)C)CC1(C(=O)NN)CC1	1945884653	UWCYDFIPINLGEX-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
NC(=O)[C@H]1CCCN1C[C@H](O)CCl	1953980739	CONMHHFLLIVOOE-RNFRBKRXSA-N	206.673	-0.464	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955549770	SQPRQEMKIGCUIE-BUVSBJAHSA-N	219.668	-0.432	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955549874	SQPRQEMKIGCUIE-ITFKJWCVSA-N	219.668	-0.432	50	10	BBGE	
C[C@@H]1C[C@H](OCCOCC(=O)NN)CO1	1961629697	SGLAZBYQHHQCOR-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
C[C@@H](COCC(=O)O)NC(=O)NN(C)C	1962129185	BJTUJYZHBZYKTG-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
CN1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1964511271	YQCAUTSNUQHGDY-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
NNC(=O)COCCCN1CCCCC1	1974675479	OTQFOXSWBIAERB-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
C[C@H](CN1CCC[C@@](F)(CO)C1)C(=O)NN	1975526807	JAEKGXXCQMQAOU-SCZZXKLOSA-N	233.287	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CN(C)CC[C@H]21	1980965168	TWJNZTLLOQURLB-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
Cc1ccnc(N(C)C2CSC2)c1B(O)O	1981414537	SQMOFFSMOLAQJG-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC=C[C@@H]1CO	1983180988	JWTQZZWXTCLDKI-RKDXNWHRSA-N	227.308	-0.376	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(C1)OC[C@H](O)[C@H]2O	1986231100	PBULZQNYTMSFHG-GJMOJQLCSA-N	249.694	-0.806	50	10	BBGE	
CC(=O)NNC(=O)c1cc(N)cc(N)c1C	1989353604	ARWOIKXISLJYCW-UHFFFAOYSA-N	222.248	-0.060	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1990042049	ZTHUGICCZFMSJJ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CN(C)C[C@]12C[C@H](CO1)C2)C(=O)NN	1990324578	NLOSWUAARCBCOS-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@H]1[C@@H](O)CO	1991712038	BQXPXHGQUNECAO-HENSLRDNSA-N	247.678	-0.348	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H]2C[C@H]21	2003506171	PBRITZOJFUXVFV-VXNVDRBHSA-N	235.291	-0.382	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CCO2)C1	2004489069	QLIKHCYYMCDMBE-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
COCCCCN(C)c1ncccc1B(O)O	2004934621	HUEPEIRLXWYZJY-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@H]2C)ncc1B(O)O	2004976034	HQGGFFARRAAWPO-GMSGAONNSA-N	235.096	-0.300	50	10	BBGE	
C[C@H](COC[C@H]1CC[C@H](C(=O)NN)O1)N(C)C	2007003516	LYVVALQZCPJODW-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](COc1ccc(F)cc1B(O)O)N(C)C	2008378496	LGTCHKIAUOMDQH-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
COC[C@H](OCCn1ccnc1C)C(=O)NN	2012465293	KAUBZDNMNMSZNX-VIFPVBQESA-N	242.279	-0.787	50	10	BBGE	
CCOCCCOc1ncc(F)cc1B(O)O	2014927822	FDACYARDCCJDKW-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
COC1(C)CCN(CC(=O)NNC(C)=O)CC1	2019211938	KIILPWNEQBXNGS-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
C=C(Cn1ncc(=O)c2ccccc21)B(O)O	2021158779	IJEKTDDMODVTKO-UHFFFAOYSA-N	230.032	-0.035	50	10	BBGE	
C=C(CN(C)Cc1nnc2n1CCC2)B(O)O	2021159591	VWRRSVQJOPBOAJ-UHFFFAOYSA-N	236.084	-0.776	50	10	BBGE	
Cc1cnc(N2[C@@H]3COC[C@H]2C3)c(B(O)O)c1	2021408613	FJJSZDDHDXMXOP-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncccc2B(O)O)CCO1	2025212368	OKCBYKBNBNKUAL-DTWKUNHWSA-N	237.064	-0.292	50	10	BBGE	
OB(O)c1ccn(Cc2cccn3ccnc23)n1	2031426619	KGQHADFEZSXUCH-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@H]3CC[C@H]2O3)c1	2049088577	ISNGCMAPRLEIFL-MKPLZMMCSA-N	249.075	-0.292	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2CC[C@H]2C1	2050242014	KXXZSNATXVQBHH-IUCAKERBSA-N	249.318	-0.135	50	10	BBGE	
CCN(c1nccc(C)c1B(O)O)C1CN(C)C1	2052473946	WZKXSZUNNIIGFP-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
Cc1cnc(N(C)Cc2cnco2)c(B(O)O)c1	2052627645	OUMAVVVSUQDDJG-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
NNC(=O)C(=O)N1Cc2ccccc2[C@@H](CO)C1	2056057367	NWSJVXNQIJEUQB-SECBINFHSA-N	249.270	-0.905	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1COC2CC1C2	2063124042	DPRYZUXOSWDZGB-BOBPJJCASA-N	248.091	-0.625	50	10	BBGE	
Cc1ccc(CC(=O)NCC#CB(O)O)cc1C	2077493041	VCKAZQJPEZOMDC-UHFFFAOYSA-N	245.087	-0.022	50	10	BBGE	
CO[C@@H]1CN(C(=O)F)[C@H](CO)[C@H]1OC	2209446876	WZPFOZWJAPMLDT-FSDSQADBSA-N	207.201	-0.218	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@H]([C@@H](O)[C@H]3O)[C@@H]2C1	2211719332	BGXYEZYCRFBPPT-RFEHBYKQSA-N	245.706	-0.329	50	10	BBGE	
NNC(=O)CCCN1CC(OC(F)(F)F)C1	2211915446	QBJCRCHMZMOMNL-UHFFFAOYSA-N	241.213	-0.023	50	10	BBGE	
NNC(=O)N1CC[C@@H](O)CCCC[C@H](O)C1	2211926091	YWOSSJJLRHEPOV-IUCAKERBSA-N	231.296	-0.442	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)CC1	2212249011	JILPVKNGVZTHRS-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CC1(C)C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2212601461	OHBNEQFNVVIQOF-MRVPVSSYSA-N	220.081	-0.359	50	10	BBGE	
OB(O)c1cnc(NC2C[C@H]3C[C@@H]3C2)nc1	2212603063	BWULKMACTNAVFC-RNFRBKRXSA-N	219.053	-0.633	50	10	BBGE	
COCC(C)(C)Nc1ccc(B(O)O)cn1	2212604146	TVMCRDGBYRSHKU-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@@H]21	2213697635	WEVVPUYOAQJXOY-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN1C[C@H](N(C)C)C(C)(C)C1)C(=O)NN	2215133556	OIBWJPSIZHUBHZ-ZJUUUORDSA-N	242.367	-0.116	50	10	BBGE	
CCNC(=O)CN(C)C[C@@H]1CC[C@H]1C(=O)NN	2215775338	ZZSMZLBVTYJXBJ-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1C[C@@H]2C[C@@H]2C1	2216539631	HPZIXJUBAKMROW-JZYVYDRUSA-N	232.092	-0.004	50	10	BBGE	
CC[C@@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2217172723	LYHZXLWYFRWOLJ-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1c1cc(B(O)O)ccn1	2217176525	XIYIOFSBVGLQTQ-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
NC[C@@H](Oc1cc(B(O)O)ccn1)C1CCC1	2217186441	KKROMVBVJPFNEU-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)OCC[C@@H]1Nc1ccc(B(O)O)cn1	2217195756	NGOABWBTYPAGKL-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
C[C@@]1(N)CCC[C@H]1Oc1ccc(B(O)O)cn1	2217196539	SFQWMKPZLBVRJU-MWLCHTKSSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c1	2217201508	QKHVCORKHBFQKD-BBHBSTQDSA-N	230.076	-0.394	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC=CCC1	2217205278	WWKUXNYMUOPXPJ-JTQLQIEISA-N	233.080	-0.299	50	10	BBGE	
OB(O)c1ccnc(N2CC(N3CCCC3)C2)c1	2223628643	RUTIDSAQNUUFHT-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH]c1	2223671945	CBBHQNJHJXHYBY-KXUCPTDWSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(=NCCC[C@H]2CCCN2)[nH]c1	2223677787	SPQKDDQIALXZCJ-LLVKDONJSA-N	249.123	-0.873	50	10	BBGE	
CC(C)ONC(=O)C1CC(B(O)O)C1	2241494606	AAMRBQZEAFGZRJ-UHFFFAOYSA-N	201.031	-0.304	50	10	BBGE	
CC[C@@H](C)NC(=O)c1nc(C)sc1B(O)O	2243359156	PPFXOJWJHQNZHL-RXMQYKEDSA-N	242.109	-0.340	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H](CN)C1CC1	2243364001	PPIXRIAZGFKUGA-MRVPVSSYSA-N	226.085	-0.811	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1occc1B(O)O	2243364631	ZZKZEATXJYUBTI-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
CCCN(O)C(=O)c1cc(C)c(B(O)O)o1	2243378219	OXKVGVMKIGGXHH-UHFFFAOYSA-N	227.025	-0.491	50	10	BBGE	
CC(C)[C@@H](CN)NC(=O)C1CC(B(O)O)C1	2243392995	ZFSXIOWEKRNPGJ-AMDVSUOASA-N	228.101	-0.661	50	10	BBGE	
CN(CC[C@H]1CC1(F)F)C(=O)C#CB(O)O	2243400046	UXAPTCJPLJVURQ-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
CNC[C@H](C)N(C)C(=O)C1(B(O)O)CCC1	2243411262	QRCBVOZLBTZRHJ-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2CCC[C@@H]21)B(O)O	2243412646	QRMNFVLQZUFHRO-BDAKNGLRSA-N	245.109	-0.631	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C=CCCC1)B(O)O	2243412688	RJHJYOPKQKTLEJ-VIFPVBQESA-N	245.109	-0.417	50	10	BBGE	
O=C(NC1[C@@H]2COC[C@@H]12)C1CC(B(O)O)C1	2243413159	AJHAQZDOQYOPIV-DWYQZRHDSA-N	225.053	-1.000	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243426829	MNTTUDVYWIFKIU-HRDYMLBCSA-N	228.101	-0.565	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)OC	2243427609	XZTPRWCNSXJOSF-VGMNWLOBSA-N	229.085	-0.219	50	10	BBGE	
CC(C)(F)C(=O)NCc1ccc(B(O)O)s1	2243687111	UFOVFKSDTFGOPI-UHFFFAOYSA-N	245.084	-0.208	50	10	BBGE	
C[C@@H](CN1CC(c2nncs2)C1)C(=O)NN	2244050755	ABOFUDHCTBENIK-LURJTMIESA-N	241.320	-0.437	50	10	BBGE	
Cc1nc2c(s1)CCN(CC(=O)NN)CC2	2244604807	GTDLFGXJTVLNAG-UHFFFAOYSA-N	240.332	-0.158	50	10	BBGE	
CC1(Oc2ncc(B(O)O)cc2Cl)COC1	2245012006	UTYXLVAYAQIBNZ-UHFFFAOYSA-N	243.455	-0.418	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H](F)[C@@H](F)C1	2247737234	FDNCHNBQMFSZMM-WDSKDSINSA-N	244.990	-0.909	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NC(C)C	2247751725	BGEFUQHLWPOBJV-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@@H]2C)c1B(O)O	2247760734	MQYOVBRWYZNYIF-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
C=C(CC)CNC(=O)c1ncccc1B(O)O	2247772113	QJOPJEKNBVJNKK-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788129	ZROOWVQVZHRSJB-IMSYWVGJSA-N	243.112	-0.239	50	10	BBGE	
CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247797234	HKWHURWCCKARBR-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247798426	TZXFTOMJHPUVJM-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCNCC1	2247807352	QROFCMHHNJBRBB-UWVGGRQHSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](NC(=O)c1ccc(B(O)O)o1)C(F)F	2247849843	GCCIAZPAWQMENJ-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](c2ccco2)C1	2247850907	UNEMFEVDBKTYSR-SECBINFHSA-N	233.032	-0.389	50	10	BBGE	
NC[C@H]1CCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247851698	IMYGUGWHBOXQME-SEZDTBSWSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC1CC(CCO)C1)C1(B(O)O)CCC1	2247878545	LJDIFYOIGNOMBJ-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
C#Cc1c(NC(=O)[C@H]2C[C@H]2B(O)O)cnn1C	2247888443	ZOIWCXKWBRZDDR-NKWVEPMBSA-N	233.036	-0.797	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C(=O)C1CC(B(O)O)C1	2247892418	AKXCXMGLKWTFJD-RTBKNWGFSA-N	243.112	-0.285	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247896062	DNXMYLYJRUTUDE-UYAYMFIHSA-N	239.080	-0.656	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247899145	KSTBEKYGHUHFLS-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1cc(B(O)O)co1	2249427828	AARFTTTZIIZFKX-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCC[C@@H]2CC3)nc1	2251126419	RIXMLBIKZPXDFS-LDYMZIIASA-N	233.080	-0.099	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@H]1B(O)O	2253336425	YNWIZQPLFLXNJB-LYFYHCNISA-N	248.038	-0.956	50	10	BBGE	
Cc1cc(C(=O)N(C)C2COC2)ccc1B(O)O	2255509017	GFWQMGKZZSYSBM-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1ccc(C(=O)NCCCC#N)c(B(O)O)c1	2255512708	DRCDABVOQKQDQA-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(B(O)O)cn1	2255518442	KTJYCUAPOFWDIG-DTORHVGOSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC2(CC2)C1	2255521845	BQPVCWHMWUXTFQ-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC[C@H]2C[C@H]21	2255533116	YDNZOTKRUZCYHN-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
Cc1cccc(C(=O)N=c2cc[nH][nH]2)c1B(O)O	2255685917	IYEADCSSIOCDSO-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(F)ccc1B(O)O	2255689363	JYNCTRKYSDGTPO-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
C=C1CC(NC(=O)c2cc(F)ccc2B(O)O)C1	2255723683	HJOXHLSUHIEBJQ-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(OC)cc1B(O)O	2255789099	AZDBJJKQFUJATB-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C#CCC1(NC(=O)c2cc(B(O)O)co2)CCC1	2258134587	WMZFWWYIUSHROX-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
CN(CC[C@H]1CCO1)Cc1ccccc1B(O)O	2263990974	QFTOFPIUIKDZOF-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298368502	IMSQTJMPDXVAMG-QCLAVDOMSA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)[C@H]1C[C@H]1B(O)O	2298370182	RCGDWKNFTGCDAL-WLRJLXCNSA-N	238.096	-0.894	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298370393	YAPLUJFLOOMCFC-RGOKHQFPSA-N	241.096	-0.533	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O)C1(B(O)O)CC1	2298375039	PIJDOXADURCBAV-JBDRJPRFSA-N	239.080	-0.731	50	10	BBGE	
CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2298375149	ZWCUXUWQWHWPQU-QEYWKRMJSA-N	240.112	-0.504	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376605	FMBDJNFYTYPVSP-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2C[C@H]2CN)CC1	2299278443	JMYAHTPXOSDSGA-UWVGGRQHSA-N	237.303	-0.152	50	10	BBGE	
CCCN(CCC)NC(=O)Cn1cnc(=N)[nH]1	2302456681	WPYQZBRUSDVPDL-UHFFFAOYSA-N	240.311	-0.156	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)N2CC[C@@H](B(O)O)C2)C1	2303108816	KXXBQKFMJOQCKD-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CO[C@]1(CN2CC[C@@](C)(B(O)O)C2)CCOC1	2303134266	PGMIETYYWRFIRU-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](Cn3ccc(B(O)O)n3)(C2)O1	2303263820	AWTRPUUEGNMYAK-KKZNHRDASA-N	236.080	-0.480	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@H]1N(Cc1cccc(B(O)O)c1)C2	2312409408	YULCPOIVFWTZBC-RAIGVLPGSA-N	247.103	-0.821	50	10	BBGE	
O=C1CN(C(=O)NC(=O)CCCl)CCN1	36906171	AMCUKHHXRLMGGP-UHFFFAOYSA-N	233.655	-0.717	50	10	BBGE	
CC[C@@H](CO)NC(=O)CCCC(=O)NN	58846300	YLLBCGNTWRKTTO-ZETCQYMHSA-N	217.269	-0.966	50	10	BBGE	
NNC(=O)CCN1CCn2ccnc2C1	82469247	PDMADENMPYYNHZ-UHFFFAOYSA-N	209.253	-0.921	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CN(C)CCN1C	82669067	JYVWSBRMJPVRDG-DTWKUNHWSA-N	233.743	-0.024	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214692	KMRSMIHRIJLNDU-IWSPIJDZSA-N	227.308	-0.257	50	10	BBGE	
CO[Si](O)(CCCNCCN)OC	195812632	JCUWCKTVKLLLJM-UHFFFAOYSA-N	208.334	-0.851	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1CCCO1	197957736	XMXXODBPHYPOFX-VIFPVBQESA-N	222.049	-0.076	50	10	BBGE	
OB(O)c1cnc(N2CCCCC2)cn1	198083038	NQTFZICYDXMNLU-UHFFFAOYSA-N	207.042	-0.853	50	10	BBGE	
Cc1cccn(Cc2ccc(B(O)O)cc2)c1=O	203178011	IVUAZMUQJBZPKA-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CN1CCC[C@@H]2CN(CCC(=O)NN)CC[C@H]21	227352288	WAKPUODVXBYBDZ-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
Cc1cc(B(O)O)cc2oc(=O)n(C)c12	238454128	NVCZDYWEOGIOJM-UHFFFAOYSA-N	206.994	-0.880	50	10	BBGE	
CNNC(=O)COCC1CCN(C)CC1	259072350	YGKFESQBVNWBIW-UHFFFAOYSA-N	215.297	-0.405	50	10	BBGE	
C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)CCl	299894872	BLXJUEBRCPGZRP-HTQZYQBOSA-N	241.740	-0.295	50	10	BBGE	
C[C@@H](Cl)c1cnnn1CC(=O)NC(N)=O	306159560	ATBNJAIYLZLKDQ-SCSAIBSYSA-N	231.643	-0.227	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)[C@@H]1COCCO1	306441373	ORGLMAWZNIQNLP-PRJMDXOYSA-N	235.667	-0.476	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C[C@H]1C	307265238	FXKQFHACIDCBFK-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
Cc1ccc(CN2CCO[C@@H](C)C2)cc1B(O)O	313744752	AFXZGXZMYSLNEP-NSHDSACASA-N	249.119	-0.104	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1CCC(=O)NN	378946331	LZSHLRSDBDPLTG-UHFFFAOYSA-N	220.232	-0.592	50	10	BBGE	
CCOC1CN(CCCC(=O)NN)C1	383053175	LMMHJKLTTJZFDB-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@@]1(O)CCCC(=NNC(N)=O)[C@H]1O	383921415	KOLJHRKQGBHBCP-HTRCEHHLSA-N	201.226	-0.694	50	10	BBGE	
NC(=O)c1cnn(C[C@H](O)CBr)c1	388156165	BRVXETNOERDOTC-ZCFIWIBFSA-N	248.080	-0.262	50	10	BBGE	
N#Cc1csc2ccc(CO)c(B(O)O)c12	396222379	NHOKCCZWWMAOMB-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C(=O)[C@@H]1C	399516533	MNXLUCOCRVFSFV-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CCSCC1	403607061	GTZLWELQMCJMPH-UHFFFAOYSA-N	217.294	-0.670	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnc(B(O)O)c2)co1	405003657	LOLMSTSLHGMGLX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C[C@@H](O)CCl	690230373	CPYOOCOYXCSORC-IUCAKERBSA-N	224.732	-0.560	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)[C@@H]1CCN(C)C1	693430225	BRVWLPOFBBLPLG-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1COC2	695049632	QONADHICVONRSE-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
NC(=O)NNC(=O)c1cnc2ccccn2c1=O	700847683	HVDOOEWBILKKCI-UHFFFAOYSA-N	247.214	-0.992	50	10	BBGE	
CN1CCC[C@H](NC(=O)NC(=O)CCl)C1=O	704344933	LXCUBTCKEXLUGF-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(O)(CC)CC1	707248360	XINVREUOFRIYGG-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CN(C[C@@H]1CCSC1)C(=O)C(=O)NN	718293568	FUFOQHPEAAKDDH-LURJTMIESA-N	217.294	-0.812	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)Cc1ccc(B(O)O)cc1	724143184	WNWMVKJCYDBMFL-OLZOCXBDSA-N	249.119	-0.024	50	10	BBGE	
NC(=O)NCC(=O)NNc1cccc(F)c1	749267957	XCUWUXQCCLQFPX-UHFFFAOYSA-N	226.211	-0.063	50	10	BBGE	
CCC1(C(=O)NNC(=O)[C@H]2CCCO2)COC1	817213746	BTDWCAXTGDBKSX-MRVPVSSYSA-N	242.275	-0.261	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNc1nnc(C)n1C	856048232	VRPFBMYWIAMOFL-SNVBAGLBSA-N	239.279	-0.106	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cncs1	886014125	KLSUAYBCYUJXBR-BYPYZUCNSA-N	214.250	-0.690	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1cnsn1	894288581	BAWHHVLPQXFRDU-UHFFFAOYSA-N	242.260	-0.498	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(C#N)n1C	1136043743	MKPIUNZRWGSBFU-UHFFFAOYSA-N	206.205	-0.322	50	10	BBGE	
CC(=NNC(=O)C(N)=O)c1cn2c(n1)CCCC2	1342844461	VBPQVWSVZJRUKA-UHFFFAOYSA-N	249.274	-0.455	50	10	BBGE	
Cn1cc(C(=O)NNc2ncccn2)nn1	1625196329	BYUCFYWMKPSBDT-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
C#CCNC(=O)NNC(=O)c1cccc(F)n1	1682632980	VVZYKCNRDPPWNX-UHFFFAOYSA-N	236.206	-0.202	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2COC[C@@H]21	1881023538	WMVQPZKQNXAJMG-WDSKDSINSA-N	211.670	-0.157	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O	1885892418	PAEZBWQCZPZSNB-HSLWUYEYSA-N	219.668	-0.575	50	10	BBGE	
CC(=O)N[C@H](C)c1cscc1B(O)O	1886862575	MGSFWVCONVRHPK-RXMQYKEDSA-N	213.067	-0.375	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@H](O)[C@H](O)C1	1887702677	BBGXAVYNFYTCHS-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
N[C@]1(CNC(=O)[C@@H]2C[C@H]2Cl)CCOC1	1893452983	JTGXTLHHEZDGJX-BHNWBGBOSA-N	218.684	-0.152	50	10	BBGE	
NCC1(O)CN(C(=O)C2CC(Cl)C2)C1	1893482001	ONYNDAFWVRZGBF-UHFFFAOYSA-N	218.684	-0.464	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)S(=O)(=O)C1	1893840562	YXSCSUNGMPKFCO-NKWVEPMBSA-N	235.309	-0.964	50	10	BBGE	
Cc1cn([C@H](C)CC(=O)NN)c(=O)nc1O	1894130707	LHSAZFWYANVZCD-ZCFIWIBFSA-N	226.236	-0.802	50	10	BBGE	
C=C(CSc1nnnn1CC)B(O)O	1895191139	KQRFXHUCSRKRAN-UHFFFAOYSA-N	214.059	-0.647	50	10	BBGE	
CCON(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1896930821	WSPYDOLBFNYBEO-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1cnsc1B(O)O	1900466094	AWMZYPVJVYJCGT-RITPCOANSA-N	240.093	-0.791	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	1902520940	DZSDXURERXAYTG-QXFUBDJGSA-N	227.069	-0.513	50	10	BBGE	
O=C1C[C@@H](NC(=O)CCCCl)C(=O)N1	1905559162	UBIDRMDSKZFBHO-RXMQYKEDSA-N	218.640	-0.463	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250357	VNENWVOBRKPOJU-PRJMDXOYSA-N	249.261	-0.543	50	10	BBGE	
C[C@@H](Cn1cc(C#N)ccc1=O)C(=O)NN	1912215466	NGZREMNEPHRGQG-ZETCQYMHSA-N	220.232	-0.654	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)S(C)(=O)=O	1913818506	UWPIOGGPTZXCKE-UHFFFAOYSA-N	235.309	-0.962	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1917429453	OAADZJLMVBSYRM-QQGCVABSSA-N	209.249	-0.863	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1F	1928693837	IBVOEVLDWCSFGJ-BWZBUEFSSA-N	219.260	-0.719	50	10	BBGE	
O=C(NCCN1CCNC1=O)OCCl	1928986616	NPXJJBWYYOSCON-UHFFFAOYSA-N	221.644	-0.066	50	10	BBGE	
O=C(NNCCO)[C@H](O)c1ccccc1	1929836203	FNCVPNKIDJFBAF-SECBINFHSA-N	210.233	-0.667	50	10	BBGE	
COC[C@@H]1CN(C(=O)NN)C[C@@H]1COC	1929909753	UQRJBUGZPPTPOV-OCAPTIKFSA-N	217.269	-0.590	50	10	BBGE	
NNC(=O)C(=O)NCC1CCC(F)CC1	1930097798	UJFQUZMYJJKMDR-UHFFFAOYSA-N	217.244	-0.379	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1931419504	MOTNFBNZNNFKIR-BIIVOSGPSA-N	239.724	-0.132	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@H]2CC[C@H]21	1931919718	QMYUIJFYSPLNFE-PRJMDXOYSA-N	215.322	-0.055	50	10	BBGE	
COC(=O)C(C#N)=C[C@@H]1CNCCOC1	1934034740	JZVLEHMEUYNXMF-MRVPVSSYSA-N	210.233	-0.155	50	10	BBGE	
NNC(=O)CCCN1CCn2nccc2C1	1936148628	FKWBVHGLKQQJRM-UHFFFAOYSA-N	223.280	-0.531	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COCC[C@@H]1Cl	1937144373	BSTBIWXXRDSGCJ-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)CC2(CCC2)C1	1938366127	ZMQDSAKFJSVQSC-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CN(CCOCC(=O)NN)CCOCC1CC1	1941785117	ZNEKUANXJODVRO-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951019706	VYUCPZLDYJNJBX-SSRBZLIGSA-N	241.335	-0.154	50	10	BBGE	
C[S@@](=O)C1CN(S(=O)(=O)CCl)C1	1953701753	YMJAJKQKUWPYSW-LLVKDONJSA-N	231.726	-0.425	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](CCF)C1	1956401639	LGCXSODEDLOGKV-ZCFIWIBFSA-N	203.217	-0.816	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@H]2C[C@@H]2C1	1957503723	HJNJHQFPUHKPRM-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1958117674	SPFDBHQPCRAPRH-HSUXUTPPSA-N	218.996	-0.594	50	10	BBGE	
COCCOC[C@H]1CCN(C(=O)NN)C1	1958317911	PGHNCUDBAOTKOM-QMMMGPOBSA-N	217.269	-0.445	50	10	BBGE	
C[C@@H](CC(=O)NN)N1Cc2conc2C1	1958699496	NHIHVFLYIRLGIE-LURJTMIESA-N	210.237	-0.241	50	10	BBGE	
NNC(=O)N1CCC[C@]2(CNC(=O)C2)C1	1959602802	JCMLTGZNSQNQBK-VIFPVBQESA-N	212.253	-0.828	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@H](C)C(=O)NN	1960663084	NGJUFIKZNZPYMO-DTWKUNHWSA-N	217.313	-0.439	50	10	BBGE	
OB(O)c1csc(OC2CC(F)(F)C2)n1	1961696728	SFKSNLBCBDOSTI-UHFFFAOYSA-N	235.020	-0.001	50	10	BBGE	
Cn1nc(Br)c(C(=O)NN)n1	1968305308	ZBQGGFKKFNRHRN-UHFFFAOYSA-N	220.030	-0.819	50	10	BBGE	
C#CCN1CCN(CCCC(=O)NN)C1=O	1980811826	OTDKWZBIYTVASD-UHFFFAOYSA-N	224.264	-0.873	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ccncc1B(O)O	1981408634	CMLWGMIVAIEDHM-YUMQZZPRSA-N	224.044	-0.302	50	10	BBGE	
OB(O)c1cnccc1N1CCCCCO1	1981408677	CXTJEBCKFOWAKT-UHFFFAOYSA-N	222.053	-0.317	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	1981422488	PFTMBKXRVBJHBN-KCJUWKMLSA-N	218.065	-0.392	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ccncc2B(O)O)C1	1981427479	VATLELSKTFWRGC-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)CCOC1	1981430874	SSVBBJIJHSUZSQ-SNVBAGLBSA-N	223.037	-0.681	50	10	BBGE	
Cc1ccn(-c2ccc(B(O)O)c(C)n2)n1	1981454820	PUINAYHBRHMIHW-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2C[C@@H]21	1981471807	LAJUEFLODNDVQD-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
Cc1nc(N(C)[C@@H]2C[C@@H]2C)ncc1B(O)O	1981530666	PDTGZTQNKMNABR-IMTBSYHQSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N(C)C2CC2)C1	1981585490	RBHRPONYLGKYML-MRVPVSSYSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](O)CN(C)Cc1cnsc1C(=O)NN	1981730622	SCMHSGXZAJTKEI-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
C[C@@H](COc1ccncc1B(O)O)N(C)C	1982815525	AVLLGIQWGSHSFP-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
Cc1ncccc1[C@@H](C)NC(=O)C(=O)NN	1983304149	MQVFUXPGUFIPQX-SSDOTTSWSA-N	222.248	-0.443	50	10	BBGE	
N#C[C@H](Cl)CN1CC([C@H]2NC(=O)NC2=O)C1	1986664691	UOVGJXOXMUCXNU-NKWVEPMBSA-N	242.666	-0.743	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1C[C@@H]1C(=O)NN	1987560240	KJNWJEXBBTVCMY-IMSYWVGJSA-N	224.308	-0.999	50	10	BBGE	
C[C@H]1CCC[C@@H]1S(=O)(=O)NCC=CB(O)O	1991331226	YWRTUWCBVUTXQZ-IUCAKERBSA-N	247.125	-0.337	50	10	BBGE	
CCn1nnc(CN[C@@H]2CN(C)C[C@@H]2Cl)n1	1992011498	GHVIPTPTTMWYQT-JGVFFNPUSA-N	244.730	-0.296	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1996067543	NIOGCIRVARFVIT-XKNYDFJKSA-N	238.287	-0.005	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CN2CC[C@H]1C2	1996734796	TVXJDTUXSPDNIE-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCC(O)CC1	1997588965	UIKBRUGIAMBGLS-RTBKNWGFSA-N	245.323	-0.773	50	10	BBGE	
Cc1ccc(C#CCO)c(C(=O)NN(C)C)n1	2003267403	OCCMBOKVDINVFH-UHFFFAOYSA-N	233.271	-0.060	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1COC[C@H]1C	2004933565	JHQBBXNJJMFBLP-SCZZXKLOSA-N	237.064	-0.516	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1c1ncccc1B(O)O	2004935231	LWZSVONWWMOSTA-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CCOC2)ccc1B(O)O	2005017523	GKCHKLRZBDJTRR-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(=O)NCC1(C)C	2006926074	SIJPMDQZBKVJEB-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
CN(CC1(F)CCC1)c1ncncc1B(O)O	2008510493	SGDNAWJEWZZHHN-UHFFFAOYSA-N	239.059	-0.515	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	2011901495	YHALDLUNTMXCEW-VIFPVBQESA-N	241.335	-0.152	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@H]1CF	2016763775	WTZHEQJQVOXBAX-BQBZGAKWSA-N	238.027	-0.695	50	10	BBGE	
CO[C@@H](CN(C)CC(=O)NNC(C)=O)C1CC1	2019210963	OVZKOIYLQUUCKR-JTQLQIEISA-N	243.307	-0.490	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(CC(=O)NNC(C)=O)C1	2025494433	ZICSEBRKMJRBPZ-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1nnc(-c2ccco2)n1	2028050549	IFANGHKJKAVRRZ-NKWVEPMBSA-N	248.246	-0.441	50	10	BBGE	
Cc1nc(N2C[C@@H]3[C@@H](C2)C3(C)C)ncc1B(O)O	2052554540	WDUQGBYCDJKJQW-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
CCOc1cc(B(O)O)cc([N+](=O)[O-])c1C=O	2060147316	DUJOOMOKLRTCLW-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCc1cc(B(O)O)c(OC)cc1C#N	2060263717	VBTWUIKLCUQKGO-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1cnn(C)c1C(=O)N[C@H]1CCC=C1B(O)O	2076076144	KSGWOOOJZQXMLN-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCn2ccnc2C1	2076076868	SHOBHZUDGBWLSV-SECBINFHSA-N	249.079	-0.870	50	10	BBGE	
Cc1cc(N2CC[C@@H]3COC[C@H]32)ncc1B(O)O	2077844006	LLXQHTBGTJRFNE-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1nscc1B(O)O	2211140029	KWKOYLSGDZACQA-HZGVNTEJSA-N	243.093	-0.626	50	10	BBGE	
CCN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)CC1	2215777040	QITWNANQIUUCPX-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
OB(O)c1ccnc(OCC[C@@H]2CCNC2)c1	2217186059	FOIRZCPOLANQOU-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Oc1cc(B(O)O)ccn1	2217193252	LNUNELUFVLOCMO-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
CC(C)(C)[C@H](CO)Nc1ccc(B(O)O)cn1	2217202769	ZQQKZWPYAFJQSM-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CO1	2217203030	OQUBVLWSPPHLHQ-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CNC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2220063305	KZXNJEQJLOTLSN-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
O=c1cc[nH]c(CNc2cc(B(O)O)ccn2)c1	2223635985	DPOVJZSXGYRBPL-UHFFFAOYSA-N	245.047	-0.938	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2NCC[C@@H]21	2223637776	HAZVLMJLFLCUDO-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N[C@H]2CN(C)C[C@@H]2C)cc1B(O)O	2223646490	LGOKPDVZGKIKMV-ONGXEEELSA-N	249.123	-0.568	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@]3(O)C2)cc1B(O)O	2223648084	GYIBKAWQAYZIBR-SKDRFNHKSA-N	248.091	-0.969	50	10	BBGE	
Cc1cnc(N2CC[C@H]3COC[C@H]32)cc1B(O)O	2223651637	DIEADNXEEYTAEY-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cnc(NCC23CC(CCO2)C3)nc1	2223674570	LXRYDVYJNDWALV-UHFFFAOYSA-N	249.079	-0.863	50	10	BBGE	
O=C(NC1CC(O)(CO)C1)[C@H]1C[C@H]1Cl	2241592277	JGZNHIZMUSJGQZ-ANOPUHLUSA-N	219.668	-0.384	50	10	BBGE	
O=C(NCCC#CB(O)O)C(F)(F)F	2241909849	HEDDQJKVEBHFSD-UHFFFAOYSA-N	208.932	-0.930	50	10	BBGE	
NC(=O)CN[C@H]1C[C@H](Br)C1	2242394981	WKEDMJMVKOLAAJ-URHBZAFASA-N	207.071	-0.013	50	10	BBGE	
C=CCCN(C)C(=O)c1nscc1B(O)O	2243347247	JWMMNSRUYIHXDZ-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1coc(B(O)O)c1	2243348466	YAKKIAYPQPKFII-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1nscc1B(O)O	2243348575	ZTJCRROTRVELRQ-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
CN(C[C@]12CCC[C@@H]1C2)C(=O)C#CB(O)O	2243349658	OQWVVEGXWVXZEH-MWLCHTKSSA-N	221.065	-0.350	50	10	BBGE	
Cc1cnc([C@H](C)NC(=O)C#CB(O)O)o1	2243356431	HSFJIBCGVNYHMQ-ZETCQYMHSA-N	222.009	-0.824	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)C2(B(O)O)CC2)C1	2243363257	CYEMPCSAKWFQQD-VIFPVBQESA-N	226.085	-0.667	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CCN1	2243366123	XODKOPBQFDEFNN-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2243383588	ZMXAHXRMBAOBCZ-UYXSQOIJSA-N	227.069	-0.515	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1O[C@H]2C=C[C@H]1C2	2243391037	FMYOWDIHORTNHK-PEBLOWIWSA-N	223.037	-0.290	50	10	BBGE	
C=C(C)COCCNC(=O)C1(B(O)O)CC1	2243397685	HJFOMGALZMOWEJ-UHFFFAOYSA-N	227.069	-0.298	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCO[C@H]21)[C@H]1C[C@H](B(O)O)C1	2243404492	PBTNNNLFAUHXFO-JGKVKWKGSA-N	225.053	-0.857	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CCCN1	2243408061	GDYCWQLGTSOROO-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1occc1B(O)O	2243411751	ZNKHKDYFRWCYEY-HTRCEHHLSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1C(=O)C1CC(B(O)O)C1	2243413552	IXAXFHDBGDKGLT-KHONBHQKSA-N	226.085	-0.813	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420300	QBOVMQZIFZZILP-OYNCUSHFSA-N	226.085	-0.953	50	10	BBGE	
CN(Cc1nccs1)C(=O)[C@H]1C[C@@H]1B(O)O	2243426880	NEQHYETZEWIDOV-BQBZGAKWSA-N	240.093	-0.036	50	10	BBGE	
O=C(C=Cc1ccco1)NCC=CB(O)O	2243678100	FBTVRZKZJZDKTF-UHFFFAOYSA-N	221.021	-0.023	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cc(B(O)O)co1	2244205756	NBMVJWCFMKEGCD-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
O=C(NCC=C(F)F)c1cc(B(O)O)co1	2244213472	FVBMIHIRZBTQCZ-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
N[C@H]1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2244732570	HZGBDBMDWVPVEO-MAUMQABQSA-N	226.085	-0.907	50	10	BBGE	
Cc1cc(OCCOC(F)F)ncc1B(O)O	2246668681	DUVFDHJTJGHFSI-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
CC1(C)CC[C@H]1Cn1cc(B(O)O)ccc1=O	2247390477	HGADFFASEWRGLE-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
CC1(CCNC(=O)c2ccoc2B(O)O)CC1	2247741941	IEGCSQJWOAVZJC-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N1CC[C@H](O)C2(CC2)C1)C1(B(O)O)CC1	2247753565	ASLANZDDDNAXEJ-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@H]1O	2247757723	RFVDNJKHMASOHE-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
CCN(CCCN(C)C)C(=O)C1(B(O)O)CC1	2247759125	YZCKIXXDQMTQII-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791852	PGEDAKPTCKEJHC-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809966	SQPYZXMQOBFUJX-OPRDCNLKSA-N	241.096	-0.531	50	10	BBGE	
C[C@@]1(C2CC2)COCCN1C(=O)C#CB(O)O	2247847228	UGYSHNMNGZUXKH-NSHDSACASA-N	237.064	-0.971	50	10	BBGE	
C=CC1(CNC(=O)C#CB(O)O)CCOCC1	2247850776	SQLODTDIYPVTOA-UHFFFAOYSA-N	237.064	-0.899	50	10	BBGE	
CCC(=O)NCCNC(=O)C1(B(O)O)CCC1	2247856139	DVIHRRWYDYTYRP-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
C[C@H](CF)NC(=O)c1ccc(F)c(B(O)O)c1	2247867808	NBAHLGZHTUCOCG-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(N1CCC2(CC(O)C2)C1)C1(B(O)O)CC1	2247872373	QZOVSYIWIQAYPL-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247873599	DXRXMBRKLFWBAL-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CC[C@H]1OCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247877617	CFBGQQTWRBTQDR-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1occc1B(O)O	2247878377	NYKCWIYCCNKECH-RNFRBKRXSA-N	241.027	-0.468	50	10	BBGE	
O=C(N1CCOC[C@H]1CF)C1(B(O)O)CCC1	2247879383	UFXSHYDLWOLGLK-MRVPVSSYSA-N	245.059	-0.420	50	10	BBGE	
O=C(NC1(C2CNC2)CC1)[C@H]1C[C@H](B(O)O)C1	2247894486	HDAHLSOMQFCZOA-XWEPSHTISA-N	238.096	-0.892	50	10	BBGE	
Cc1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2B(O)O)n[nH]1	2247895541	ARQQLVQHYLCSPK-QTSITTDLSA-N	238.056	-0.847	50	10	BBGE	
O=C(NC[C@H]1CC=CCO1)[C@H]1C[C@H](B(O)O)C1	2247896090	DVWSWMUXTKSDDQ-OPRDCNLKSA-N	239.080	-0.299	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N(C)C	2247900114	UBYBSVPIHGPHDK-KXUCPTDWSA-N	242.128	-0.304	50	10	BBGE	
C[C@H]1C[C@@]1(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248576088	DESUZQIMLMPBIC-NXHIJNRMSA-N	241.052	-0.781	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250687194	IADKSYNJAWTGDV-LURLDICESA-N	238.096	-0.953	50	10	BBGE	
CN(CC1CC1)C(=O)Nc1cccc(B(O)O)n1	2254698209	YAVFAVFCQLWTRP-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2255475137	WIYGIQRVRLZADR-NSHDSACASA-N	248.091	-0.269	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2255481708	KYCASKRDBDKXIG-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
C#CCN(CC)C(=O)c1nc(C)ccc1B(O)O	2255487577	RHPMLZBXHYKYLB-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cncc(B(O)O)c1	2255522155	FWLPGYSONGGISU-NSHDSACASA-N	246.075	-0.707	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1[C@H]2C=CC[C@H]1CC2	2255546485	GFTIGXGMVMRJDI-YUMQZZPRSA-N	247.063	-0.977	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1c[nH]nc1B(O)O	2255570713	INAVGXOZNVUITM-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCC1CC=CC1)c1cncc(B(O)O)c1	2255677133	CIDRCYOGUULULM-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@H]2C1	2255686442	RHYBJEXOOGPSMV-BDAKNGLRSA-N	248.091	-0.813	50	10	BBGE	
O=C(NCCc1ccccn1)C1CC(B(O)O)C1	2255687447	HLVVQMBTEOZUND-UHFFFAOYSA-N	248.091	-0.007	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1cc(B(O)O)cn1C	2255716329	BYYBNOSZEIBUNK-SECBINFHSA-N	249.079	-0.873	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ccncc2B(O)O)C1	2255728903	NHRRZJTYSHBTEU-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
C[C@@]1(CNC(=O)c2cc(B(O)O)n[nH]2)C=CCC1	2255762553	XOVJYUSWRZWJIR-LLVKDONJSA-N	249.079	-0.824	50	10	BBGE	
COc1ccnc(C(=O)NCCC#CB(O)O)c1	2258962646	JFYUEAIEFIDZBE-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
CCOC(=O)C=Cc1cccc(B(O)O)c1	2294788503	UIZGQEYEJKAASO-UHFFFAOYSA-N	220.033	-0.057	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377438	REGGYBBBXXZLBG-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
N#CC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2301453567	YIKQFTWHPQTXFF-UHFFFAOYSA-N	230.032	-0.861	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)N3CC[C@@H](B(O)O)C3)C[C@@H]12	2303110360	ZMFOVKVHGSXHGO-PKIKSRDPSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@](C)(CN(CCO)C[C@H](C)O)C(=O)NN	2303424936	XAYFSSIUNWTZRH-ONGXEEELSA-N	247.339	-0.932	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303835640	ZTHRZGLMNRAKCW-SNVBAGLBSA-N	234.039	-0.276	50	10	BBGE	
CO[C@@H]1COCCN(CC2(C(=O)NN)CC2)C1	2306798660	HDEBGQUXJPDYCY-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)n1	2309543763	DLWYEMVYPCAYDD-CKEKPRIKSA-N	245.091	-0.691	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)n1	2309543766	DLWYEMVYPCAYDD-SJQPAMGKSA-N	245.091	-0.691	50	10	BBGE	
C=CC1(Oc2ccc(B(O)O)cc2C#N)CNC1	2317164423	ZJUKCBLNZDAACJ-UHFFFAOYSA-N	244.059	-0.855	50	10	BBGE	
O=Cc1ccc(N2O[C@H]3CC[C@H]2C3)cc1B(O)O	2317351772	NUYUNXJZOONNSB-ONGXEEELSA-N	247.059	-0.148	50	10	BBGE	
O=C1N[C@@H](CCl)C(=O)N[C@H]1CCl	1561140	UJDFUUWGCSFGOJ-IMJSIDKUSA-N	211.048	-0.553	50	10	BBGE	
O=C(O)[C@H](O)[C@@H](Br)C(=O)O	1726898	NBLBTAVCTSCGBU-JCYAYHJZSA-N	212.983	-0.720	50	10	BBGE	
CNC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	12175270	JTBXLVXELHDHPH-RFZPGFLSSA-N	242.753	-0.515	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnccn1	49083231	DAXBQIGRMJAXKY-UHFFFAOYSA-N	226.261	-0.399	50	10	BBGE	
NNC(=O)CCCCN1CCNCC1	82469775	CTCJGIDBRGYAKL-UHFFFAOYSA-N	200.286	-0.948	50	10	BBGE	
CCCNC(=O)CN(C)S(=O)(=O)CCl	82512437	KGUYKIOQZHMWJA-UHFFFAOYSA-N	242.728	-0.030	50	10	BBGE	
CC[C@@H](Br)C(=O)NC[C@H](O)CO	85248842	SECLVKHOVLUQST-NTSWFWBYSA-N	240.097	-0.371	50	10	BBGE	
C[C@H](CCC(=O)NN)SC[C@@H](O)CO	86661904	RSHXMIUTLMSTBV-RQJHMYQMSA-N	222.310	-0.769	50	10	BBGE	
C[C@H](Sc1ncnn1C)[C@H](C)C(=O)NN	128063258	FGJPBVQQINDQMN-WDSKDSINSA-N	229.309	-0.078	50	10	BBGE	
Cn1nnnc1N1CCOC[C@H]1CCl	159426064	JUJTZRCYZFXCDB-ZCFIWIBFSA-N	217.660	-0.346	50	10	BBGE	
CCNN(C(=O)CC)[C@H]1CCS(=O)(=O)C1	227127736	KHYYDQVUAGNFKB-QMMMGPOBSA-N	234.321	-0.063	50	10	BBGE	
O=C(CCl)[C@@H]1CNCCN1C(=O)C(F)F	236130495	HQLYYFVCVZKXDX-YFKPBYRVSA-N	240.637	-0.140	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C)[C@H](C)C(=O)NN	252589433	BVEZLIMJVIVPSM-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
NNC(=O)C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	300369575	JZBNNKKCHWMXIM-AXMZGBSTSA-N	209.249	-0.863	50	10	BBGE	
C[C@]1(O)CCC/C(=N\NC(N)=O)[C@H]1O	306782587	KOLJHRKQGBHBCP-YTMPCORTSA-N	201.226	-0.694	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C	307010780	OHMRURFLSZZQLT-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
NCC[C@H](O)CSS(=O)(=O)O	307875780	NRPLJORXWFHVOZ-BYPYZUCNSA-N	201.269	-0.768	50	10	BBGE	
CC(C[C@H](S)C(=O)O)=NNC(N)=O	308068837	ZVXLFDXWEPMUIP-BYPYZUCNSA-N	205.239	-0.196	50	10	BBGE	
O=C(O)C(=O)C(=O)NN=c1cc[nH]cc1Cl	381232926	LFSGATSRDJFCLE-UHFFFAOYSA-N	243.606	-0.746	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1C2	382115887	LKWXEUSADKDFIW-FXQIFTODSA-N	211.265	-0.377	50	10	BBGE	
Cc1nccn1-c1cc(B(O)O)cnc1Cl	390377415	YGYCFDUCXARIOB-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CCO[C@H]1C[C@H](C(=O)NN)N(C(C)=O)C1	395014291	XLVSKWOBRPDHAE-JGVFFNPUSA-N	215.253	-0.998	50	10	BBGE	
C[C@H]1COCCCN1[C@@H](C)CC(=O)NN	398960347	YLPMLYTUTCUEHN-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@@H]1O	399925752	QXSMKGSYQPCKJF-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cncs1	400111686	RKIADDJNUYBQGV-QMMMGPOBSA-N	244.320	-0.420	50	10	BBGE	
COC[C@@H](OCCOCC1CCC1)C(=O)NN	400770891	XEYJLCCJDPSKMQ-SNVBAGLBSA-N	246.307	-0.175	50	10	BBGE	
COC(C)(C)CN(C)[C@@H](C)C(=O)NN	404240049	CCTJWZCTIVTTMT-ZETCQYMHSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCCO)C1CC1	404258862	UKMPKTKPRABALS-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
Cn1cncc1C(=O)Nc1ccc(B(O)O)cc1	405020209	DSBZIUAOUOXDGR-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2COCCO2)cc1	584909088	CNHQFUUUFSJOAC-NSHDSACASA-N	238.048	-0.839	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1	584943608	JVKHNOVCHQYRST-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
OB(O)c1ccn(CCOCC2CCC2)n1	689360110	IHULHMRSUDEYQL-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690153957	AOSBCYWCCGOYIO-VHSXEESVSA-N	229.324	-0.296	50	10	BBGE	
N#CC1(O)CCN(c2cncc(N)n2)CC1	692137976	ZMLKRDKTHXPYMI-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	694831463	ZHYUOBHGDWOLHH-CBAPKCEASA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)c1csc(CN2CCNC2=O)n1	696379860	VRNGYEQLRLUIMK-UHFFFAOYSA-N	241.276	-0.728	50	10	BBGE	
Cn1nnnc1CN1CCOC[C@H]1CCl	697853194	BPWBDSNLFCEOQD-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
CC(F)(F)COCCn1cc(C(=O)NN)nn1	703595315	KAVFOYNHQMKMGH-UHFFFAOYSA-N	249.221	-0.447	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CCN(C)C1=O	708561949	PWNXLXXSGKDASB-YIZRAAEISA-N	242.323	-0.837	50	10	BBGE	
C#CCCS(=O)(=O)N[C@H]1COC[C@H]1Cl	710886088	KKMLDJNHPSFBJM-SFYZADRCSA-N	237.708	-0.065	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2C[C@H]2C1=O	715552960	WUOLDAILIMMUJN-IONNQARKSA-N	246.270	-0.337	50	10	BBGE	
C[C@H](O)C1CN(Cc2ccoc2C(=O)NN)C1	719806627	IZWDPPMQRBBKMM-ZETCQYMHSA-N	239.275	-0.304	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)CC(=O)NN)C1	719807119	MGZKHSGRNNIFBU-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
C[N+]1=C(C(=O)N=C=S)C=C([N+](=O)[O-])C1	725538947	QOMROAIPOYHGQV-UHFFFAOYSA-N	212.210	-0.127	50	10	BBGE	
C[C@H]1C=C(/C=N/NC(=O)CO)S[N]1	725545880	IHQXPIIOHHFBSW-ABUKBVDBSA-N	200.243	-0.381	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC[C@@H]1C(N)=O	757140850	CQHMQUGZXUHJJZ-RFZPGFLSSA-N	235.081	-0.144	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	787947231	NERBHPAJTVNBMP-GJMOJQLCSA-N	242.275	-0.528	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC23CCC3)nn1	855188901	WGBDKKYWUPASTC-SSDOTTSWSA-N	249.274	-0.234	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccnc2[nH]cnc12	910154694	FCBQCYHOJJYOGK-SSDOTTSWSA-N	249.274	-0.085	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(CC)CCO	911443432	JHJCPCQUKLDLEL-WGAJWPLOSA-N	202.254	-0.731	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(C#N)ccn1	1142535253	PYOJATQWFYHIGC-UHFFFAOYSA-N	233.231	-0.131	50	10	BBGE	
O=C(CO)NNC(=O)c1sccc1F	1161080481	NDVFBSLKBNZZNR-UHFFFAOYSA-N	218.209	-0.360	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1C[C@H](O)[C@@H](CO)C1	1161336957	RCZJCFOAYORVRP-LKMPMBSTSA-N	240.259	-0.758	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cc[nH]n1)n1ccnc1	1453284424	MJTJPTDGLREEGA-SSDOTTSWSA-N	248.246	-0.372	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2ncon2)CCC1	1472178603	AXUQZWQCFDLPLV-UHFFFAOYSA-N	235.203	-0.476	50	10	BBGE	
Cc1[nH]c(C#N)cc1C(=O)NNC(=O)CN(C)C	1654292541	ZFROBAUDMWFOSZ-UHFFFAOYSA-N	249.274	-0.483	50	10	BBGE	
N[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1877519557	GOKHYTXCYKYBFR-HSNKUXOKSA-N	218.684	-0.154	50	10	BBGE	
COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NN	1880024932	XOYNJGVLFSLIDI-SNVBAGLBSA-N	247.295	-0.094	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883552814	OKUAWHASHHKOCX-JWXFUTCRSA-N	206.673	-0.562	50	10	BBGE	
NCCOCCNC(=O)[C@@H]1C[C@H]1Cl	1883638337	FARMGQSITPBZES-RNFRBKRXSA-N	206.673	-0.295	50	10	BBGE	
CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCCl	1884855018	ZQUZPVJLSIMQFO-NKWVEPMBSA-N	243.712	-0.442	50	10	BBGE	
C[C@H](CCCl)C(=O)NCCS(N)(=O)=O	1885938007	KUCPCZIFYBNAKH-ZCFIWIBFSA-N	242.728	-0.344	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475370	SPYPTWIYZWTHMQ-KAZBKCHUSA-N	221.640	-0.436	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475374	SPYPTWIYZWTHMQ-OMMKOOBNSA-N	221.640	-0.436	50	10	BBGE	
CC[C@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1893497275	FAQSHDGHCRDAHG-BHYDHMSTSA-N	218.640	-0.312	50	10	BBGE	
O=C(NC1CC=CC1)c1cnsc1B(O)O	1900466971	NWMNMBHBZJPHJS-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@]1(C)CCN1	1901376535	BUTHGTGXJVFWKD-VIFPVBQESA-N	249.336	-0.559	50	10	BBGE	
C[C@@H]1CC2CC(CNC(=O)C(=O)NN)(C2)O1	1902485150	RKDSOQKBFHIXFU-AFKSGGFBSA-N	227.264	-0.950	50	10	BBGE	
CSCCNC(=O)N1CC[C@](C)(B(O)O)C1	1902542422	YSCWHFMXRAWEFW-VIFPVBQESA-N	246.141	-0.002	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C[C@H]1C[C@H]1C(=O)NN	1907079074	JJSJGOQHFINLIQ-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
COC(=O)C(C#N)=C1NN=NN1NC(C)=O	1912044024	VYOHZLIXAAFRHC-UHFFFAOYSA-N	224.180	-0.867	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@@H](CC(C)C)C(=O)NN	1916202869	SNQAQJWKSBVESO-BDAKNGLRSA-N	244.339	-0.543	50	10	BBGE	
CCON(C)Cc1ccccc1B(O)O	1928681519	BQEWXYIRKVVZKZ-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CCn1cnnn1	1928688775	MDDWIYJDFXTBDO-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)CC(CO)CO	1930665751	SIZOLHGSAQGYFK-LURJTMIESA-N	209.673	-0.327	50	10	BBGE	
N[C@@H](CO)C(=O)NCC(Cl)Cl	1931764914	NWCCUDBUPRNBHQ-VKHMYHEASA-N	201.053	-0.774	50	10	BBGE	
COCCN(C(=O)NN)[C@H]1CCOC1	1931867869	HAOKYQTWIYPQMR-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC(F)(F)C1	1932126079	GVXRJGCSFMBABL-LURJTMIESA-N	223.223	-0.320	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@H](C1)C2(F)F	1935928269	IODAIQDRJFBPDI-WHFBIAKZSA-N	241.188	-0.192	50	10	BBGE	
Cc1cn(CC(F)(F)C(=O)NN)ccc1=O	1935942569	SDZDUCCXLYOMNB-UHFFFAOYSA-N	231.202	-0.218	50	10	BBGE	
CN(C)CC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936085335	QHJHEUDZLYRYKV-UWVGGRQHSA-N	226.324	-0.894	50	10	BBGE	
Cc1ccc(CN2CCCO2)cc1B(O)O	1937140766	JQOSZDXVSUJYNO-UHFFFAOYSA-N	221.065	-0.188	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)Cn1cncn1	1937145291	HYCFEIBTHUTAJH-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)[C@H]1CCCOC1	1937725999	GMAFKPSOXYVRPC-NKWVEPMBSA-N	247.320	-0.708	50	10	BBGE	
O=C(Cn1cncn1)NC[C@H]1COC[C@@H]1Cl	1939165596	CBXDTTGVDQAKCK-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
Cn1cc(C(=O)NC[C@H]2COC[C@H]2Cl)nn1	1939173785	UPJNFKHNCGVDDF-NKWVEPMBSA-N	244.682	-0.201	50	10	BBGE	
CC[C@H]1CCN1CCn1cc(C(=O)NN)nn1	1941277796	JSFGXIFJISPJLZ-QMMMGPOBSA-N	238.295	-0.634	50	10	BBGE	
CN(C)C(=O)O[C@@H]1CCN(CCC(=O)NN)C1	1942662739	QVIAPCQMLLOMEP-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)CC(=O)NN)n1C	1943112295	XLJDIZJVINQRKP-SSDOTTSWSA-N	240.311	-0.676	50	10	BBGE	
CCCn1nncc1CN(C)[C@H](C)C(=O)NN	1950437716	BVMZVVOKKXIRJA-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
O=C(c1ccncn1)N1CC[C@H](B(O)O)C1	1951321117	ZCGVXXRZFQAMGP-ZETCQYMHSA-N	221.025	-0.835	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@H]21)N1CC[C@H](B(O)O)C1	1951321846	JJMSXBKUJMGOCY-RBXMUDONSA-N	225.053	-0.903	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CN2CC[C@H]1C2	1954394636	XISSIEKXKVVUMC-BQBZGAKWSA-N	224.713	-0.194	50	10	BBGE	
C[C@@H]1CCN(C[C@@H](O)CCl)[C@@H]1C(N)=O	1956256446	OERDYNLXRZRNAU-CSMHCCOUSA-N	220.700	-0.218	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC(C)(C)CO1	1957545895	DQTJNJZLVQWJLA-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CON(C(=O)C(=O)NN)C1CCCCC1	1960110210	VHOIDJXCLGJOJK-UHFFFAOYSA-N	215.253	-0.301	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2CCCCC[C@H]21	1961294548	YDWGPIBWTKCTMT-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
CN(CC(=O)NN)C1(CO)CCSCC1	1961459060	YBWSHJVCXCZNMH-UHFFFAOYSA-N	233.337	-0.834	50	10	BBGE	
CC(C)[C@H](C)Oc1ncncc1B(O)O	1961688310	SLNKAJXVFNWGQT-ZETCQYMHSA-N	210.042	-0.420	50	10	BBGE	
Cc1cc(N(C)C2CC2)ncc1B(O)O	1961689746	CTHFYURFDDRGOQ-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
C=CCOc1nc(C)nc(C)c1B(O)O	1961695335	BURYFFAKOXWPOY-UHFFFAOYSA-N	208.026	-0.662	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)CC(=O)NN)no1	1976748817	CZJPJQLDHGFEKQ-LURJTMIESA-N	227.268	-0.422	50	10	BBGE	
NNC(=O)CCCCN1CC(O)(C(F)F)C1	1981253452	BPSRETZVLATPBQ-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@H]1F	1981414088	NTIWKAFYLSGBNB-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
OB(O)c1cncnc1OCC1CCCC1	1981422528	PUFLLLVDXPYUKB-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
OB(O)c1cncnc1Sc1cccnc1	1981451264	UCQWJWZGGAUVRO-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N(C)C2CC2)C1	1981585491	RBHRPONYLGKYML-QMMMGPOBSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CC[C@](O)(C(N)=O)C1	1985791301	XJMYEGJFMXWTJV-OIBJUYFYSA-N	248.710	-0.300	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@@H](n2cncn2)C1	1986233490	CWUGHLKIRRVUFB-OCAPTIKFSA-N	225.252	-0.622	50	10	BBGE	
OB(O)c1cnc(Oc2cccnc2)nc1	1988364252	ZPJFHTKWHMIQMB-UHFFFAOYSA-N	216.993	-0.656	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)CCC(=O)NN	1990041550	STTVTGIUDULLED-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C(=O)CO1	1990443508	JAJYUWMMNQPPRF-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
CC[C@H]1COCCN1CC(=O)NNC(C)=O	1990774226	GHCWMTSBVUFABT-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CC=CC2)C1	1990776380	JYLISLQHGUMPGA-UHFFFAOYSA-N	223.276	-0.194	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	1991328073	CZXCUYGDKOUOGP-NBEYISGCSA-N	225.053	-0.762	50	10	BBGE	
C=C(CN1C[C@H](N(C)C)CC1(C)C)B(O)O	1992159906	QDLVELFGKRFZOG-SNVBAGLBSA-N	226.129	-0.031	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]2COC[C@H](C2)C1	1995164781	RAOVSUABOPLAEJ-AYMMMOKOSA-N	227.069	-0.823	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1[C@@H]2CC[C@@H]12	1997531391	YESVIHABWWLVHW-NXEZZACHSA-N	231.060	-0.039	50	10	BBGE	
CCNC(=O)C1CN([C@H](C)[C@H](C)C(=O)NN)C1	2002651956	IXJWSECJBYHQCF-JGVFFNPUSA-N	242.323	-0.931	50	10	BBGE	
COC[C@@]1(C)COCCN1[C@@H](C)CC(=O)NN	2002850400	KXJRRDJZGIEGBG-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
C#CCN1CCN(CCCCC(=O)NN)C1=O	2003935208	JFCDGJCNOPUSEW-UHFFFAOYSA-N	238.291	-0.483	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](n2ccnc2)C1	2004327748	QWFDKVUAIYNPRE-ZJUUUORDSA-N	237.307	-0.102	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1c1nccn1C	2004406342	FWNXXVKUAWUZIR-IUCAKERBSA-N	237.307	-0.065	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@H]2C3)nc1	2004912687	WZJTUGYIBJOJAV-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@@H](C)CO1	2004936091	UUPHDFPTSKXAHI-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C)[C@@H]2C)n1	2005014465	LYGQANKNSUEPSX-SFYZADRCSA-N	235.096	-0.300	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)C[C@@H]1C[C@@H]1C(=O)NN	2007572435	GDZPVWJRRDSYCO-LADJIXMOSA-N	239.319	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(CCN(C)C)C1	2007715500	GRZAEELNFHHOSX-UWVGGRQHSA-N	242.367	-0.116	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1ncn(C)n1	2008807254	ZETXDJDWOYZHQM-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
CC1(C)C[C@H]1CCn1cc(B(O)O)ccc1=O	2008840778	RCXFGJSNWSWFHJ-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
CO[C@H]1CCN(C(=O)NN(C)C)C[C@@H]1C(=O)O	2012158579	VSCHYTLTIIASQJ-YUMQZZPRSA-N	245.279	-0.406	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C(=O)C1	2014832917	ILZWMUGZJLAKMN-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@@H]2CCO[C@H]21	2019209864	LZGWFWWTDBTNIH-IQJOONFLSA-N	241.291	-0.880	50	10	BBGE	
O=C(CC(C1CC1)C1CC1)NCC#CB(O)O	2021164495	IHYIKGVKQGMUOZ-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C1(C)COC1	2026710209	COABCCOOILIKOE-IUCAKERBSA-N	243.307	-0.755	50	10	BBGE	
CCCN1CCN(c2ccc(B(O)O)cn2)CC1	2052472345	KTQXMZAZJSCYSL-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2052473579	WNFRUPBDJPJBBF-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
Cc1ccnc(N2CCCN(C)CC2)c1B(O)O	2052474370	ZOLCWDVQCCUMNG-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@H]1C[C@H]1C1CC1	2058154721	GSGWVYQFBXOZDG-QWRGUYRKSA-N	247.103	-0.036	50	10	BBGE	
CCc1cc(OC)c(B(O)O)c([N+](=O)[O-])c1	2060061363	KRHSERVGCLUNLJ-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
N#Cc1ccc(B(O)O)c(C=O)c1OC(F)F	2060268219	JLYOVIWYLBMONT-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070852465	SDRYSTMBQKXCMY-WVTGURRWSA-N	245.091	-0.753	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)cc1C	2077484452	WYXOFJYFXLBOIW-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)N1CC[C@@H](B(O)O)C1	2208732604	WWHQCRVWRBLHIP-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CC1(N)CC(Oc2ncccc2B(O)O)C1	2212599197	DYTUCQXPVRCKHE-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncccc2B(O)O)CO1	2212601235	KZGDGBOLMCXTIC-JGVFFNPUSA-N	222.053	-0.649	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cn1)[C@H](C)O	2212610548	KPCUYBSQCJPWGN-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
C=CC[C@H](CC)Nc1ncc(B(O)O)cn1	2212611360	ZQRKKNYHCIGIGX-VIFPVBQESA-N	221.069	-0.077	50	10	BBGE	
Cc1ccn(C[C@@H]2CC[C@@H]2C(=O)NN)c(=O)n1	2215772625	PCRDAQHISHHBGS-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
C=CCCOC(=O)Nc1ncccc1B(O)O	2216291666	OAMFLBNVVBZAGJ-UHFFFAOYSA-N	236.036	-0.114	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC(O)C3)C2)CCC1	2216493430	FUPLLGYTQNZGAZ-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CC2(C(=O)NN)CCC2)C1	2216495807	UEKFVGOCMIQDDP-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C)COc1cc(B(O)O)c(C)cn1	2217182990	HZWDEQZPLHHJEX-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
C[C@]1(Oc2nccc(B(O)O)c2F)CCOC1	2217189561	FZRIEAPILGCOEA-JTQLQIEISA-N	241.027	-0.542	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@@H]3C[C@H]32)nc1	2217195656	MFUBTJDPKAMIOL-SZEHBUNVSA-N	233.080	-0.243	50	10	BBGE	
CNCC[C@@H](C)N(C)c1ncccc1B(O)O	2217196555	SLOBVCPEROQQLA-SECBINFHSA-N	237.112	-0.804	50	10	BBGE	
C[C@@]1(C2CC2)CCCN1c1ncc(B(O)O)cn1	2222773832	LDMASONFLIRJRV-LBPRGKRZSA-N	247.107	-0.075	50	10	BBGE	
CC1(C)CNCC[C@@H]1Nc1cc(B(O)O)ccn1	2223631885	CCKQRIVMPXGJLB-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(OC2([C@H]3CCCN3)CC2)c1	2223663353	XXLLKXRUWDUCMC-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC2(CCC2)[C@H]1O	2223667881	VRBOJYSLYUBXSR-ZJUUUORDSA-N	248.091	-0.523	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1cc(B(O)O)ccn1	2223669302	IINZHRPZKMSKQH-URPMGSGRSA-N	247.107	-0.701	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)ncn1	2223676928	HMJQNSRYHUAXEM-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
COC[C@@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2241480823	MLJAJHRXHNAOBV-DSYKOEDSSA-N	201.031	-1.000	50	10	BBGE	
CC1(OCC(C)(C)C(=O)NN)COC1	2242121537	CIJDRKHQPMQWIE-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccccn1	2243356105	BJSNVEADFFYKAR-QMMMGPOBSA-N	218.021	-0.726	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)o1	2243362353	PSMCUPYVCOYUAK-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
CNC[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2243363021	ACUMLKKGPXGIBO-MRVPVSSYSA-N	228.101	-0.645	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(O)C(C)C)s1	2243376757	OULHIUJKFDOXEN-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
O=C(N1C[C@@H]2CSC[C@H]2C1)C1(B(O)O)CC1	2243397406	AMDGHZBRCASRME-HTQZYQBOSA-N	241.121	-0.185	50	10	BBGE	
COCC[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243404251	LHBLATFXWMSDBB-IWSPIJDZSA-N	229.085	-0.219	50	10	BBGE	
O=C(NN1CCCC1)c1cscc1B(O)O	2243411142	OPXFRPYIVSTJRP-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
CC(C)[C@@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414638	FOECIIJRYYEMOP-CIUDSAMLSA-N	228.101	-0.661	50	10	BBGE	
CC(C)N(CCC#N)C(=O)[C@H]1C[C@H]1B(O)O	2243415683	ZVCKLLCCUQTQFE-DTWKUNHWSA-N	224.069	0.000	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC2(CC2)C1)B(O)O	2243432667	CDNRHHPNFBBEQP-UHFFFAOYSA-N	245.109	-0.630	50	10	BBGE	
O=C(NCC#CB(O)O)c1ncccc1Cl	2243684994	LIVUSRMTRDPIFR-UHFFFAOYSA-N	238.439	-0.520	50	10	BBGE	
CC#CCC(=O)NCc1sccc1B(O)O	2243702497	PBRHYWFDZGYCDO-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
CO[C@@H](C)CCC(=O)NCCC#CB(O)O	2244548636	SDCNVICNFDTVDR-VIFPVBQESA-N	227.069	-0.677	50	10	BBGE	
O=C(C[C@H]1CCCO1)NCCC#CB(O)O	2244548799	USQFGAKQLJEJEC-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
O=C(Nc1ncco1)c1ccsc1B(O)O	2245941444	VUWOSBGNVZDPQK-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@@H]21)N1CCC(B(O)O)CC1	2246338149	OHBUTLCKNAWYEU-AEJSXWLSSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247743003	XNIRABACLQGTCO-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CCO)C1(B(O)O)CC1	2247754616	GRNLSZLSVHWFQB-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247791062	LANGQYLIASFUKG-XKNYDFJKSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)C1CC(B(O)O)C1	2247793527	YICKIDSNNRDXOM-XNWIYYODSA-N	241.096	-0.123	50	10	BBGE	
C#CCN(CCOC)C(=O)C1CC(B(O)O)C1	2247855629	VJPFZQQQXNNSDF-UHFFFAOYSA-N	239.080	-0.652	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1ccoc1B(O)O	2247867044	XLDSZEAEZAWJKT-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2247874884	QPRZPFMOWHHXPA-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1N	2247886766	GCRPUAZTHSUROA-LURQLKTLSA-N	240.112	-0.661	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909231	GXYVBOHDEJFFQP-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
C=C[C@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2247910481	PUVQDGSMWRUCEV-AMUVOQDHSA-N	239.080	-0.611	50	10	BBGE	
CC(C)(/C=C/C(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248587010	KITLFBGQIUFHKN-KYNVUQBWSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)[C@@H]1C(=O)O	2248588299	BAHWCTBRPJSDMA-CQRKAFIDSA-N	241.052	-0.829	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(CC(F)(F)C(=O)NN)C2	2249578877	WRQFGDHDOACRQV-BQBZGAKWSA-N	249.261	-0.686	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1c1ncccc1B(O)O	2251029374	GGALHOXADMNRNC-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2coc(B(O)O)c2)C1	2255456820	TYMMEXKQKFWLGA-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@H]12	2255460865	ZIWWPQRPCPLIET-HRDYMLBCSA-N	249.075	-0.313	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(C)ccc1B(O)O	2255510913	BPKSSVKZVBAQNQ-SNVBAGLBSA-N	243.071	-0.477	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ccc(B(O)O)cn1	2255519838	CBHDLQIWAVZLTN-FXBDTBDDSA-N	246.075	-0.710	50	10	BBGE	
C=C1CC(CNC(=O)c2cc(B(O)O)cn2C)C1	2255734733	GOJCBCKYEJONQU-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1CC12CC2	2255736388	MLVBNVMUOGGPPH-JTQLQIEISA-N	248.091	-0.530	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)cn1C1CC1	2255747768	QRVSRDMSWFBVEN-UHFFFAOYSA-N	248.091	-0.191	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)ccc1O	2256018327	LWMNDFDAIVJPFW-XCBNKYQSSA-N	249.075	-0.448	50	10	BBGE	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368840	ACTDSKPXRAJGLY-SFKDOBOXSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2COC[C@@H]2C1	2298370148	PXOSBQPONXQVOB-XFWSIPNHSA-N	239.080	-0.656	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2298370405	YDSHWMGQXAZRBR-HXFLIBJXSA-N	241.096	-0.221	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298374672	HYIHPVPQJQTFBU-QCLAVDOMSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@H]1CCNCC12CC2)[C@@H]1C[C@H]1B(O)O	2298376982	AEZVJRSQWNTWNF-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
C=C[C@@H](N)COc1ccc(B(O)O)cc1C#N	2301370392	WWAFIQREKQHVTJ-SNVBAGLBSA-N	232.048	-0.870	50	10	BBGE	
C[C@@H](CF)N(C)c1ccc(C=O)c(B(O)O)c1	2301418761	DEWAWZXOCOEWEM-QMMMGPOBSA-N	239.055	-0.027	50	10	BBGE	
OB(O)c1cccnc1OCc1ccncc1	2301850891	QAYNSTTZADYIHY-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
NCC12CC(CCN1C(=O)[C@@H]1C[C@H]1B(O)O)C2	2302050276	PAAUQPCLQMCGTK-VCZAYRLQSA-N	238.096	-0.811	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)Cn2ccnc2)C1	2303103442	FDOSXGVMPVXRSI-SNVBAGLBSA-N	237.068	-0.652	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)c(F)cn2)CCNC1	2303835323	VHNUZAYORKGLPI-SNVBAGLBSA-N	239.059	-0.936	50	10	BBGE	
CO[C@H]1COCCN(CC(B(O)O)=C(C)C)C1	2306809224	HPWROQLRIHGTNI-SNVBAGLBSA-N	243.112	-0.318	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2CC[C@H]1N2	2312614949	RIXLFTPYWFXPNE-ATZCPNFKSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1ccncc1B(O)O	2317064711	OYKIEPHLYMAMLK-YUMQZZPRSA-N	248.091	-0.464	50	10	BBGE	
CC[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@@H](C)N	2317209761	VKXXMYPPMXLRHO-LDYMZIIASA-N	248.091	-0.257	50	10	BBGE	
NC1(CCNc2ccc(C=O)c(B(O)O)c2)CC1	2317308185	HWJNXIQIYYJXLL-UHFFFAOYSA-N	248.091	-0.528	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(C=O)c(B(O)O)c2)CN1	2317350710	XFSAENPIGATYLH-GZMMTYOYSA-N	249.075	-0.692	50	10	BBGE	
CCOC(=O)/C=C(/N)NNC(=O)OC	20246848	PTLDNBQINFRRDG-PLNGDYQASA-N	203.198	-0.790	50	10	BBGE	
O=C(NNc1ncccn1)c1cccc[n+]1[O-]	48564245	YDEHVTIUSSQBJE-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)O)C(=O)CCl	58851546	UAWBQYLCRXYRBT-RNFRBKRXSA-N	209.673	-0.185	50	10	BBGE	
Cc1csc(CCNC(=O)C(=O)NN)n1	63139205	ZHJYGNXDAMLKGK-UHFFFAOYSA-N	228.277	-0.900	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=O)c(O)c1	70044596	CNCLNPSMCDXNOZ-UHFFFAOYSA-N	225.204	-0.286	50	10	BBGE	
O=C(CBr)NCCc1ncn[nH]1	70819641	GYWMQOURDTZJDH-UHFFFAOYSA-N	233.069	-0.142	50	10	BBGE	
CCCn1nc2c(c(C(=O)NN)c1=O)CCC2	77067248	YGASMKMUTQAVSC-UHFFFAOYSA-N	236.275	-0.255	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](C)COC	82469590	CGHMUHNIFHVOQH-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
CCN1CCc2[nH]c(=O)c(C(=O)NN)cc2C1	82677151	GQSOPJGBURPEFA-UHFFFAOYSA-N	236.275	-0.644	50	10	BBGE	
COc1ccc(F)c(NC(=O)C(=O)NN)c1	87287200	FGAYYHZTBMWXEV-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CNCCCN(C)[C@H](C)[C@H](C)C(=O)NN	87472909	VWURINZXMXVAKJ-DTWKUNHWSA-N	216.329	-0.458	50	10	BBGE	
Cc1cc(C)c2c(c1)N(CC(=O)NN)C(=O)C2=O	110603861	VGJNTAREUWIMLZ-UHFFFAOYSA-N	247.254	-0.177	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)OC(C)(C)C1	164358694	MIRRLNZBFISASY-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1[C@@H](C)CC(=O)NN	216472766	UCHQTVIIVQEMOG-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NCCN(C)C	216556668	AXEHGLKWIWJFLH-KTKRTIGZSA-N	240.307	-0.692	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@@H]1CC(=O)NN	216920743	CCHZDMAIHIUEBZ-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
CSCC[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	217720319	BUEHSRAPGRHWJS-HTQZYQBOSA-N	246.141	-0.930	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124969	ILBUVSXXOQVEAH-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)CC(F)(F)F	231593382	YBTDZPABXMQBBB-LURJTMIESA-N	243.229	-0.389	50	10	BBGE	
CC[C@@H](C)CN(C)[C@@H](COC)C(=O)NN	232419130	FKKWRZHMAVWJFF-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSC[C@@H]1C	232420284	GXHGMIOPJRPBRH-JGVFFNPUSA-N	233.337	-0.571	50	10	BBGE	
CC(C)COCCOc1cncc(B(O)O)c1	232781527	AEUQEEIAFCLTKY-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
Cc1cnn(Cc2occc2C(=O)NN)c(=O)c1	235967260	TZVKNPMHMCVIJU-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)[C@H]1CO	299918361	ZOJHLBXCHZWNTM-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
COc1ccc(C)c(NC(=O)C(=O)NN)c1	300882281	MYEYCKPZXOYIFH-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCCCN1CC(=O)NN	304475924	BDGCLSMFSJEVAC-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
Cc1cc(Br)cc(B(O)O)n1	307034165	SHGJWKDJRVMTKA-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
NC(=O)N/N=C1/CCC/C1=N\NC(N)=O	308669794	FIJWLGNWOYURPA-WIZYTBDYSA-N	212.213	-0.781	50	10	BBGE	
CC(C)CCNNC(=O)[C@@H]1COCCN1	309532077	WDPUOCQHNJLAIE-VIFPVBQESA-N	215.297	-0.358	50	10	BBGE	
CCOCCOCc1nc(C(=O)NN)co1	386947128	IEFTVHRXQMQPHI-UHFFFAOYSA-N	229.236	-0.169	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C(C)(C)C1)C(=O)NN	388188132	ORWDFQSOSNFIEP-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C1	388649990	RPXIXQHXORZNKU-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CCN(CCO)[C@@H](C(=O)NN)C(C)(C)C	395605064	BKVFSOFDLFDMPB-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1CC(=O)O	396140840	XNIFIYULGFNOAC-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
Nc1cc(B(O)O)c(C(=O)O)c2sccc12	396242900	NJKGZCCYRSZASC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1ccc2c(B(O)O)c(C=O)sc2c1	396271407	ISDWXXOPYNJATD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2sccc2c1O	396376819	FGELFJVQVNBPHQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1COC(C)(C)C1	396561607	TWQIMIRFCPFWOU-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CNC(=O)CCCNS(=O)(=O)CCCl	398341171	DPEKOWDOQBXJNY-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@@H]1O	399925712	QVXQBCKUDNLZRC-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCOC[C@H](Cl)C1	399978960	WGWGBBMOZHPQRV-RKDXNWHRSA-N	249.694	-0.132	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C)(CO)CC1	402811046	UPDBFWGRJUWLKQ-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccncc1	404953825	URMKFGQPSYIXMJ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1nn(C)cc1CN1CC[C@@H](B(O)O)C1	585074993	DAKLVDJQIDTXIT-SNVBAGLBSA-N	223.085	-0.223	50	10	BBGE	
O=[S@@](Cl)CC1CS(=O)(=O)C1	675071431	LOVQFXJAAPSBEF-SECBINFHSA-N	202.684	-0.067	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H](C)C1O	688122437	QKACTRXLFUKHDQ-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](F)C2)O1	689824416	CTHZZTDMBZRIKM-HLTSFMKQSA-N	231.271	-0.432	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C(C)(C)C	689990670	YZDZJQDPBSBESP-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1cc(C)cc(B(O)O)c1	690070368	ARTLMWXMSYXBOP-QWRGUYRKSA-N	249.075	-0.352	50	10	BBGE	
C[C@H](CN)S(=O)(=O)N1CCC(O)(C#N)CC1	692096926	FQTCZIMRBSGVHO-MRVPVSSYSA-N	247.320	-0.986	50	10	BBGE	
CO[C@H](CN(C)[C@H](C)C(=O)NN)C1CC1	692217287	QAWOEUCDXPYAJC-VXNVDRBHSA-N	215.297	-0.278	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)C(=O)NN	696569742	JAIBELQXPVBQRS-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CCOC[C@H]1CCCN1[C@@H](COC)C(=O)NN	696570195	UTNGCJNAVCFDHZ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl	696833513	YXEPNWANBYVEFX-WDSKDSINSA-N	241.696	-0.847	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCCO2)C1	705811833	BGAMDGWZHVJBJV-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CN(CCCC(=O)NN)CC1CN(C)C1	709599836	TXSBXAVQEOUYLF-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
CC[S@](=O)N1CCc2ccc(B(O)O)cc21	712993777	HWOMTRMWBKJUMN-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2CN)CC1	715093127	AOTKYJKCKCCWAY-DTWKUNHWSA-N	223.276	-0.542	50	10	BBGE	
C[C@H](O)C1CN(Cc2occc2C(=O)NN)C1	719807541	ORNJVMHKIKWFGW-ZETCQYMHSA-N	239.275	-0.304	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721785069	QIHZZOJGXQUUPD-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@@]1(CO)CCCCN1CCC(=O)NN	723022056	LGFHSGWASAOHOP-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
C[C@H]1CC(=NNC(=O)[C@H]2COCCO2)CN1C	761814229	ZSDJLWGWJOPAOV-WCBMZHEXSA-N	241.291	-0.402	50	10	BBGE	
CCCONC(=O)NNC(=O)[C@H]1CCCO1	828334721	SXEDZCIXZVCTBV-SSDOTTSWSA-N	231.252	-0.163	50	10	BBGE	
CO[C@H](C=NNC(=O)c1cn(C)nn1)C1CC1	853383793	ZSTPRSGKDIOVQI-SECBINFHSA-N	237.263	-0.044	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1cccn1C	900002943	ZNZUNVNLBZSVTI-HYYFJVDXSA-N	237.259	-0.277	50	10	BBGE	
CCn1nnc(C)c1C(=O)NN(C)C[C@H](C)O	910145677	VOVJQYNTSQJJEZ-ZETCQYMHSA-N	241.295	-0.436	50	10	BBGE	
CN(NC(=O)[C@H](O)C(C)(C)O)C1CC1	911292855	PEABQNNLPOMVGD-ZETCQYMHSA-N	202.254	-0.756	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1nnc(N)o1	1296816691	YCSUOGSFGWLQDO-WAYWQWQTSA-N	237.219	-0.288	50	10	BBGE	
Cn1cccc(C(=O)NN=c2cc[nH]cc2)c1=O	1320065422	KPLQBGCICMTFNU-UHFFFAOYSA-N	244.254	-0.041	50	10	BBGE	
CNC(=O)NNC(=O)C(C)(C)c1cnc[nH]1	1321333119	SHSJQAQMSIJNRF-UHFFFAOYSA-N	225.252	-0.353	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2ncon2)cn1	1536938200	TZNHGINMTKQSEZ-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1	1631398594	KKORCUIHRMDBDH-UHFFFAOYSA-N	239.235	-0.970	50	10	BBGE	
CN(NC(=O)c1cc(Cl)n(C)n1)C(N)=O	1636583338	KJPQASSZVYJHPU-UHFFFAOYSA-N	231.643	-0.271	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@@H]1C[C@@H]1Br	1877414162	LVVZMZMXZJXNCY-RITPCOANSA-N	249.108	-0.780	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H](CO)CO[C@H]2C1	1885045176	XSEOUEANRZFFPM-PRJMDXOYSA-N	219.668	-0.309	50	10	BBGE	
O=C(NCCS(=O)(=O)CCO)OCCl	1886762235	VGYBIAJLZRQOEX-UHFFFAOYSA-N	245.684	-0.684	50	10	BBGE	
NC(=O)CN(C(=O)F)[C@H]1CCCNC1	1887173391	LUSVADWJIBWZDM-LURJTMIESA-N	203.217	-0.385	50	10	BBGE	
C[C@@H](CCl)N(C)C(=O)Cn1cnnn1	1888428317	UZAZZVFLBGTCNC-LURJTMIESA-N	217.660	-0.241	50	10	BBGE	
CCCCN(C)CC(=O)NNC(C)=O	1892436995	ZPQXMKRKGMNVLK-UHFFFAOYSA-N	201.270	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1C[C@H](C(=O)O)C1	1900386342	JUYVUWGNLNNVEQ-LJGSYFOKSA-N	246.288	-0.250	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	1901047133	DKEZXUMZVMCYPG-IWSPIJDZSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NN(C)S(C)(=O)=O)NC1	1901377923	UWHMRUFKJOZDLO-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)S(=O)(=O)CC	1913825023	BIBUYUGQPXEODJ-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CS(=O)(=O)N(CCCl)C1COC1	1915519677	PUANZHNEYSBXKZ-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
CN(Cc1csc(C(=O)NN)n1)C1COC1	1915651069	RBIDQTKKQMGNQX-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
CCCN(Cc1cccc(B(O)O)c1)C1COC1	1915677279	RPBRZXPIDRGECY-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](CF)C1	1927813904	VXPIBZDUTFBFLD-ZCFIWIBFSA-N	225.214	-0.097	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2CC1(CF)C2	1929075976	MVZNYEZRJVLBLG-PTNSZRNDSA-N	201.245	-0.201	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)[C@H]1CO	1929742811	ZAXQZEJJQLWWQB-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CN(C)C2)C1	1932060013	BOXBVFCRFAEDMH-MRVPVSSYSA-N	212.297	-0.998	50	10	BBGE	
NNC(=O)COCCO[C@H]1CCCOC1	1932291633	VMVSRVNYNGJIDN-QMMMGPOBSA-N	218.253	-0.812	50	10	BBGE	
C[C@H]1C[C@H](C)N(CC(F)(F)C(=O)NN)C1=O	1935924478	BSOFRHUUQGYQQC-WDSKDSINSA-N	235.234	-0.132	50	10	BBGE	
NNC(=O)COCCn1ccnc1C1CC1	1936529537	MMSOTCDVCGWLND-UHFFFAOYSA-N	224.264	-0.233	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1941083245	OPWJREWDELHUHJ-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(C)CCN(CC2(C(=O)NN)CC2)C1	1945884864	XSUOEHZQDAJDDA-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
CN(C)[C@]1(C)CCN(CC2(C(=O)NN)CC2)C1	1945889841	WHGZGLIFEUMYOJ-LLVKDONJSA-N	240.351	-0.218	50	10	BBGE	
CCOC(=O)C=Cc1cnn(C)c1C(=O)NN	1951312792	FMPAMUMFQLKLKV-UHFFFAOYSA-N	238.247	-0.400	50	10	BBGE	
CC(=O)N[C@@H](CCN=C=O)CS(C)(=O)=O	1951425578	OBYHZJBQCJGXCT-QMMMGPOBSA-N	234.277	-0.738	50	10	BBGE	
O=C(CC(F)(F)C(F)F)NCB(O)O	1954998610	ABDWQZFOABPFDW-UHFFFAOYSA-N	216.927	-0.595	50	10	BBGE	
OB(O)c1cnccc1S[C@H]1CCOC1	1961707636	IKAWTDAHJWPEMZ-ZETCQYMHSA-N	225.078	-0.358	50	10	BBGE	
Cc1nc(N2CCCC2)ccc1B(O)O	1961718846	USYWLLPHVQHVOE-UHFFFAOYSA-N	206.054	-0.330	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	1974556720	KZAFPSQZWWBYMU-CSMHCCOUSA-N	219.260	-0.983	50	10	BBGE	
CN(C)C[C@H]1CCN1CC(C)(C)C(=O)NN	1976930433	CNHUNMKUCPPCSU-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@@H](O)C1	1980521942	VSAJAMDTXBLSGM-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CCCCC1	1980795782	PJNIJFHJJLATQS-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]2C)c1B(O)O	1981445673	MOTQIEHAFVNPIP-ZETCQYMHSA-N	221.069	-0.546	50	10	BBGE	
C[C@@]12CCCN(CC(=O)NN)[C@H]1CCOC2	1984472375	WWDJPHNUDUTNPE-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
CC(C)OCCSc1ncncc1B(O)O	1986590119	FVUMYHURTKNPGB-UHFFFAOYSA-N	242.109	-0.327	50	10	BBGE	
CN1C[C@H](N(C)C(=O)C=CC(=O)Cl)CC1=O	1991652937	TUVYKAYUYXLNIJ-SSDOTTSWSA-N	244.678	-0.003	50	10	BBGE	
C=C(CN1CC[C@H]2OCCO[C@@H]2C1)B(O)O	1992168253	XOGRLHSTOSIERQ-NXEZZACHSA-N	227.069	-0.956	50	10	BBGE	
CC1(C)CC[C@H]1Oc1ncc(B(O)O)cn1	1994637336	KVPDNYXOUMEWHO-MRVPVSSYSA-N	222.053	-0.276	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1996645570	LIALNQXBCWLKSO-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
CC[C@H](C)CNC(=O)N[C@@H](CB(O)O)C(=O)O	1998131130	RUEIIUKHCVOXNA-BQBZGAKWSA-N	246.072	-0.742	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]2CC[C@H]21	2002915171	JOKYLKMZCDWRQS-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@@]1(F)C2	2004912350	RTDBAMCPUAJNLR-XVKPBYJWSA-N	237.043	-0.558	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2004918324	KGBBGOQWTHYIPE-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
CCCN(CC1CC1)c1ncncc1B(O)O	2004921697	YWFARXMNHKNJAE-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1ncccc1B(O)O	2004930909	YELKCRBJNIAJFL-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
COc1nc(OCC2CCC2)ncc1B(O)O	2004934014	OPZFQZYVOYTHKW-UHFFFAOYSA-N	238.052	-0.656	50	10	BBGE	
Cc1cnn(-c2nc(C)nc(C)c2B(O)O)c1	2005006018	ZBGZBHJXMRUIOO-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC(CO)C3)C2)CC1	2013609856	VHCMZWJDSLDAKJ-UHFFFAOYSA-N	239.319	-0.539	50	10	BBGE	
COCCCCOc1ncnc(C)c1B(O)O	2014225004	OAGBRUCZVBWVRV-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
CC1CCN(C2CN([C@H](C)C(=O)NN)C2)CC1	2014764435	DTYOTGGTMKLTFY-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(CC2(C(=O)NN)CC2)C1	2016013701	OJYCWDJCWDIELB-BDAKNGLRSA-N	245.298	-0.185	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1nc(C(=O)NN)co1	2023145548	WPDBTSPPJXMOHO-SSDOTTSWSA-N	240.263	-0.767	50	10	BBGE	
Cc1cnc(N(C)C2(C)COC2)c(B(O)O)c1	2026727306	RPXFBRSQGMQOMP-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CCCN[C@H]32)CC1	2033608880	TWXKXZPNQKJTJL-GMTAPVOTSA-N	249.314	-0.139	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CC[C@@H]2CNC3)CC1	2033993381	WZLAPOBNVQGUPG-MFKMUULPSA-N	249.314	-0.137	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)[C@H]2CC[C@H]21	2052492800	WGRMRZCVFUPZCC-MNOVXSKESA-N	247.107	-0.956	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)[C@H]2CC[C@@H]21	2052492801	WGRMRZCVFUPZCC-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CC2(C)C)ncc1B(O)O	2052558781	VLVLQRUUBXEPPU-VIFPVBQESA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cnc2c(-n3cccn3)ccnc2c1	2052601102	FXZKNNCLJNHWTK-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)cc1C	2060200334	XCSKXMARUPEIRA-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1COC2CC1C2	2063125409	SPOGXHYQUBPCAA-SHVIVCPWSA-N	248.091	-0.625	50	10	BBGE	
Cc1ncncc1C(=O)N[C@@H]1CCC=C1B(O)O	2076084060	IJULSADWMWODPF-SNVBAGLBSA-N	247.063	-0.384	50	10	BBGE	
Cc1cnc(N2CC[C@H]3COC[C@H]32)c(B(O)O)c1	2077844656	NTZXWCUHYOOQAT-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
CC1(C)CC(NC(=O)NN)(C(N)=O)C1	2210071767	JRNGEGVJURVUNQ-UHFFFAOYSA-N	200.242	-0.797	50	10	BBGE	
OB(O)c1csc(COC[C@@H]2CCOC2)c1	2211072464	MIUMSQMANJYZIB-MRVPVSSYSA-N	242.105	-0.019	50	10	BBGE	
NNC(=O)N1CC[C@H](O)CCCC[C@H](O)C1	2211926089	YWOSSJJLRHEPOV-BDAKNGLRSA-N	231.296	-0.442	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2213955343	YZJGFWSGPZGSFG-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
NC[C@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217173072	OQVOELHXVDZJSN-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
C[C@@H]1C[C@H](COc2ccc(B(O)O)cn2)CN1	2217173675	QKOWLLDJOOUBGQ-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
CO[C@H]1C=CCN(c2cc(B(O)O)ccn2)C1	2217175635	LLOXNQMIYJCQRE-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](CF)C2)c1F	2217181033	XCAJOEUBHJVSEH-ZETCQYMHSA-N	242.034	-0.304	50	10	BBGE	
N[C@H](CCOc1ncccc1B(O)O)C(F)F	2217186250	HTUDDTFGAGHDTN-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
C[C@]12C[C@](CNc3ncc(B(O)O)cn3)(CO1)C2	2223632811	OJGXCKPXTLRCBO-PHIMTYICSA-N	249.079	-0.863	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN3CCC[C@H]23)nc1	2223637783	HBKAGLWWAAGUPB-WDEREUQCSA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)nc1	2223643990	CRUJFMFASPDKQJ-ZYLJGPGZSA-N	242.087	-0.316	50	10	BBGE	
C[C@@]12CNC[C@]1(COc1cc(B(O)O)ccn1)C2	2223662760	VFXGXWFRYKSCAX-NEPJUHHUSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1COC2(CCC2)C1	2223671596	OICTZRWOXIVGLP-SECBINFHSA-N	248.091	-0.115	50	10	BBGE	
Cc1nccnc1CNc1ncccc1B(O)O	2223672876	VENHGGPXWDGFJF-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
NC[C@H](Nc1cc(B(O)O)ccn1)C1CCCC1	2223674053	IZLAOOOARFZKKG-NSHDSACASA-N	249.123	-0.309	50	10	BBGE	
Cc1csc(NC(=O)C#CB(O)O)n1	2241472116	PDMIPVJZUFEILC-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)CF	2241714849	GNPLBCTZIDBBGY-RNFRBKRXSA-N	207.249	-0.719	50	10	BBGE	
OC[C@@H]1CN(CCCCl)C[C@@H](O)[C@@H]1O	2242199181	NSUWSXVANFUFFK-DJLDLDEBSA-N	223.700	-0.739	50	10	BBGE	
O=C(Nn1cccc1)c1coc(B(O)O)c1	2243349428	LCRORLYXTCJCFI-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
CON(C(=O)c1ncsc1B(O)O)C(C)C	2243361806	HLPWKOPQDJMCFE-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
O=C(NC1(CCCO)CC1)[C@H]1C[C@H]1B(O)O	2243391788	OITQFDMTQNWHHU-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
CCCN(C(=O)C1(B(O)O)CC1)C1COC1	2243397980	MDXHECASRFEFPW-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C[C@H]([C@H]1CC1(C)C)N(C)C(=O)C#CB(O)O	2243398208	BTKSSDDYASXKSM-RKDXNWHRSA-N	223.081	-0.105	50	10	BBGE	
CCN(CC)C(=O)c1ncccc1B(O)O	2243406803	FURCHTRTZUTNJO-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
C#CCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2243939620	URAPBDSCVMGKHR-XYPYZODXSA-N	224.260	-0.435	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)o1	2244147021	NYCMGLXOWIHJRG-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
CC1=CCN(C(=O)c2cocc2B(O)O)C1	2244210872	HLAJJYOPLGWSOB-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cocc1B(O)O	2244219498	MNSXMKUMSKARMB-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
C#CC1CN(c2cc(B(O)O)c(Cl)cn2)C1	2245913049	LHYXKKMXTYSFOC-UHFFFAOYSA-N	236.467	-0.516	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCO1	2246225881	HZJCMLSMTCTRFQ-MRVPVSSYSA-N	222.053	-0.648	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1ccoc1B(O)O	2247741403	ZEGYHWJOVLNIGF-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
C=CCONC(=O)c1cc(C)cc(B(O)O)c1	2247752043	HNTQHIMKVWXXIW-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)C1CC(B(O)O)C1	2247790340	GUZLLUVOCWFWLP-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
Cc1nnc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)o1	2247799886	JGLVNSYKVKVJRY-RQJHMYQMSA-N	239.040	-0.801	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247801160	XRFXOEOTUUUKBB-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC(CCO)CC1	2247806394	FLDBJWPFGWZKOS-NXEZZACHSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2247848019	FXJYKNZJNDYPKR-WRWORJQWSA-N	234.064	-0.633	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)o2)C1	2247848953	SOFBTCHFBFIYRI-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2occc2B(O)O)C[C@H]1C	2247852844	AQNCCRZNORIQEU-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
COC(C)(C)CNC(=O)c1occc1B(O)O	2247854019	WCMOCUMKVCGUES-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C=C1CC(CNC(=O)c2coc(B(O)O)c2)C1	2247873197	GMWDSDXDVGKJMX-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247878168	LZJWVRCJJCLPGV-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)CCN1C	2247880020	ZYZMKBIEVKHCHI-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CCN(C)C1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247897608	VIEBCRMNIHAIBD-KYZUINATSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248242919	NBNIYTJHZKVANV-FSPLSTOPSA-N	238.027	-0.505	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](C)O	2248398642	VLDKCQZADWWALY-QMMMGPOBSA-N	237.064	-0.697	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc(C2CC2)on1	2248415662	DTARZTBSUKTYRO-UHFFFAOYSA-N	236.036	-0.150	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)co2)C1	2249420840	ZCMKLYWEVSPOBK-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	2252940159	XIVWWIZBPCNOKM-HTQZYQBOSA-N	237.259	-0.682	50	10	BBGE	
C[C@@H]1CCN1C(=O)NCc1ccccc1B(O)O	2254026050	VZGVWUYDVXJLDQ-SECBINFHSA-N	248.091	-0.330	50	10	BBGE	
C=C[C@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2255472128	COLRRQACVYWIBW-JTQLQIEISA-N	248.091	-0.125	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)cc1F	2255501936	UNPBQZNGTAKUFX-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1N[C@H]2CC[C@H]1C2	2255518671	NLVOLRSOPMPGKO-IUCAKERBSA-N	246.075	-0.752	50	10	BBGE	
O=C(NCCC1=CCCC1)c1n[nH]cc1B(O)O	2255552926	RESDVRFTSSZHMR-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
Cc1cnc(C(=O)NC2[C@H](C)[C@H]2C)c(B(O)O)c1	2255555666	FBPSVUMPOMGBDX-HTQZYQBOSA-N	248.091	-0.546	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255679368	HBAGBGLRDBMCEP-PELKAZGASA-N	248.091	-0.433	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)cn1	2255716016	NFTKPCLFFDKVQZ-QMMMGPOBSA-N	248.091	-0.368	50	10	BBGE	
Cc1cc(CNC(=O)C2CC(B(O)O)C2)ncn1	2255787821	FATVVJLLTSIDGV-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
C=CCN(C(=O)c1nccnc1B(O)O)C(C)C	2256058081	NEKWJBRJXWSRAH-UHFFFAOYSA-N	249.079	-0.807	50	10	BBGE	
CC#CCC(=O)N1Cc2ccc(B(O)O)cc2C1	2256737164	JLABIXBEYQTJEB-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
O=C(Nc1ncccc1O)c1ccoc1B(O)O	2256918982	TUJDDIPDUPMBLO-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1cc(B(O)O)co1	2258131117	QHVNWANUTPHBAS-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C(CO)[C@@H]2C1	2298165706	SQJXCSYOQXQTPV-SGIHWFKDSA-N	239.319	-0.827	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375358	GZENEMNNNUQUPY-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
CC1(C)[C@H](O)CN1CCC[C@H]1C[C@H]1C(=O)NN	2300365048	WZLWZMTVTPSJPC-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)CC(B(O)O)=C(C)C	2301850492	KSGBIBOMLNOMCY-GHMZBOCLSA-N	243.112	-0.320	50	10	BBGE	
CCC#CC(=O)Nc1ccc(F)c(B(O)O)c1	2302830098	IEQGPPKJBUXZRY-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
Cc1ncc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)o1	2303294915	RRCPYASPPJYHHO-RKDXNWHRSA-N	238.052	-0.196	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@H]3CC[C@@H]2O3)c1	2309294422	ISNGCMAPRLEIFL-XRNSZHNASA-N	249.075	-0.292	50	10	BBGE	
Nc1ncnc(NNC(=O)c2ccco2)c1N	40724010	YINZHDQGHIVXBX-UHFFFAOYSA-N	234.219	-0.009	50	10	BBGE	
Cc1ccccc1NC(=O)COCC(=O)NN	58846740	UHEADNYTANXIGN-UHFFFAOYSA-N	237.259	-0.060	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(C(N)=O)CC1	104109785	DBBTXITXJJHNBJ-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)O)N(C(=O)NN(C)C)C1	149131473	CSLHUZGAEVEUKQ-RNFRBKRXSA-N	231.252	-0.654	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CO)C1	166153445	GISAYPOXYAWYTN-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC(C)N1CCN(C[C@H](O)CCl)C(=O)C1=O	166587672	PAWZJVBQJXDCPY-MRVPVSSYSA-N	248.710	-0.335	50	10	BBGE	
CCC[C@@H](N)C(=O)NNC(=O)c1cnn(C)c1	182226764	KQNMOSCPWPQIDP-MRVPVSSYSA-N	239.279	-0.692	50	10	BBGE	
NC1CCN(Cc2ccc(B(O)O)cc2)CC1	218989486	NVNCURBQGVOHPP-UHFFFAOYSA-N	234.108	-0.711	50	10	BBGE	
Cn1c(B(O)O)cc2cc(C#N)ccc21	231413915	WRNNPZGNNXENSM-UHFFFAOYSA-N	200.006	-0.270	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCN(C)CC1	232419003	LEOMELFFXVWCJZ-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H](Br)C(=O)NCCOC(N)=O	235147298	WHRKTEPMODVQIH-SCSAIBSYSA-N	239.069	-0.019	50	10	BBGE	
NC(=O)[C@H]1CCN(C(=O)CCCl)C1	236198305	MPBXWYMZUMKHKS-LURJTMIESA-N	204.657	-0.051	50	10	BBGE	
CC(=O)N[C@@](N)(C(N)=O)C(Cl)Cl	238060661	GBTKREMCNDQMLX-RXMQYKEDSA-N	214.052	-0.934	50	10	BBGE	
CNNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1	259078039	ZBKGXGLGZWJNKK-UHFFFAOYSA-N	220.232	-0.351	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@H](OC)C1	300017791	CPGGRTHQPOKNLZ-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCCN1C	300017856	DNWMRLZQVGRFDZ-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
Cc1cc(Br)nc(B(O)O)c1	307029559	MJSGCJPLZZMTOI-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
C#Cc1ccc2nc(C)c(C(=O)NN)n2n1	382691158	IJCMMTSCWWKRHI-UHFFFAOYSA-N	215.216	-0.377	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384768272	OWEMOVSXWGLWSM-UXCLJVHYSA-N	240.351	-0.363	50	10	BBGE	
CN1CCC[C@@H]1COc1cncc(B(O)O)c1	386964898	ZUQRCTSCQKMIHA-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
CC(C)(C)CNNC(=O)[C@H]1COCCN1	390799849	XDKOYYYYGQUSAR-MRVPVSSYSA-N	215.297	-0.358	50	10	BBGE	
COC(=O)/C(=N/O)C(=O)OCCCl	393619185	ORHUOXWLRAODCA-YWEYNIOJSA-N	209.585	-0.228	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H](O)C[C@H]2C1	398883172	XSYLVMXYLXVRPL-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C)(CO)CC1	402811048	UPDBFWGRJUWLKQ-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
Cn1cc(C(=O)Nc2ccc(B(O)O)cc2)cn1	404934852	HBRRSYVOKZEPPZ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
COCCC(=O)Nc1ccc(F)c(B(O)O)c1	404941514	LMSTUEDFICRPMO-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1cc(C)ccc1B(O)O	405028421	NKYLWVIOVOKPFX-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
CCC(=O)N(C)Cc1ccccc1B(O)O	405031422	ODQSSFJWORGIHI-UHFFFAOYSA-N	221.065	-0.265	50	10	BBGE	
COc1ccc(O[C@H]2CCCO2)c(B(O)O)c1	686730273	PPAVHZDKTCWMGW-NSHDSACASA-N	238.048	-0.110	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N2CCCCC2)C1	697752552	YKRWVAASAUTHMQ-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CN(C)C(=O)C(C)(C)NC(=O)NC(=O)CCl	698053049	DDZMCRMREZKUCF-UHFFFAOYSA-N	249.698	-0.082	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1n1ccc(B(O)O)n1	703688879	YTXQFERJQYPNHX-DTWKUNHWSA-N	224.069	-0.307	50	10	BBGE	
CNNC(=O)CCNC(=O)C1CCCC1	704629862	BIDSJONRJSFNOU-UHFFFAOYSA-N	213.281	-0.067	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1CO	708125485	ZOYZNBRWCLTPIL-DTWKUNHWSA-N	229.324	-0.437	50	10	BBGE	
COC[C@H](CN)NNC(=O)OC(C)(C)C	708744036	ZTYWAGJKXLRIED-ZETCQYMHSA-N	219.285	-0.011	50	10	BBGE	
C=CCNC(=O)N1CCc2ccc(B(O)O)cc21	712957888	VITNDIFODRHQBO-UHFFFAOYSA-N	246.075	-0.376	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1CCc2ccc(B(O)O)cc21	713063106	XGBHLCHCUBQXDO-GZMMTYOYSA-N	245.087	-0.089	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1c1ccccc1	807195901	NIQKLFXVSIIMJA-VHSXEESVSA-N	234.255	-0.070	50	10	BBGE	
C#CC[C@H](COC)NC(=O)NN(C)C(=O)OC	875927417	KNJSNPUUKDKZHR-MRVPVSSYSA-N	243.263	-0.063	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1	898586017	CAHLCMGRJZMYDW-HTRCEHHLSA-N	238.247	-0.404	50	10	BBGE	
COC(=O)N(C)NC(=O)c1n[nH]cc1F	908112758	HTLIXGIGBWWENY-UHFFFAOYSA-N	216.172	-0.108	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F	1446048895	PTMGZOZVOIUOTJ-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C(CO)NNC(=O)c1nccc2cccnc12	1650912491	QHEWXKZYAYDGLP-UHFFFAOYSA-N	246.226	-0.617	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CBr)C[C@H]2O1	1881800131	FKWPDILXCYTEPL-CRCLSJGQSA-N	249.064	-0.300	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H]2[C@H](O)C[C@H]21	1882061393	IINVSLMANIKPEN-RRKCRQDMSA-N	225.697	-0.032	50	10	BBGE	
O=C1NC(=O)N([C@H]2C[C@@H](Br)C2)C1=O	1882565318	NSTRIUYTLZHARD-ZXZARUISSA-N	247.048	-0.009	50	10	BBGE	
NNC(=O)COCCCN1CCCC1	1884746449	QOGVNTFFEOSCAW-UHFFFAOYSA-N	201.270	-0.521	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1CCOC1	1888051360	WWJVPHHTDINNAC-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
C#CC[C@H](O)CNC(=O)/C=C/C(=O)Cl	1893504580	JRKKFNXDZCYLOA-KPJROHGDSA-N	215.636	-0.192	50	10	BBGE	
COC(=O)[C@H](Cl)CNCC1CN(C)C1	1897359644	PDBOAXTVZRISJX-MRVPVSSYSA-N	220.700	-0.082	50	10	BBGE	
CC(C)=C(CN(C)C[C@H]1CCN1C)B(O)O	1901701334	JMDSFTNUHSFTJK-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](CC1CC1)C1CC1	1902887110	XLZIVXNHEUUVFM-SNVBAGLBSA-N	221.065	-0.303	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C=CCC2)n1	1905354323	SANPMBLTGOZIJD-MRVPVSSYSA-N	220.037	-0.438	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@@H](C2)C1=O	1905551815	AFPCXGYVJNKMJT-FXQIFTODSA-N	239.275	-0.460	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(CCOCC(=O)NN)C1	1909260809	JMHGBGXEJWEJLJ-RKDXNWHRSA-N	249.286	-0.948	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]12CCOC2	1915570664	DKQIZCOVIUZJLU-MRVPVSSYSA-N	235.234	-0.524	50	10	BBGE	
COCC[S@@](C)(=O)=NC[C@@H](C)C(=O)NN	1918072419	PGTQYMWXHHIJJP-KWKYVRJSSA-N	237.325	-0.643	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CC2(CC2)C1	1926419337	FXAJHNUQUFFOFP-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
OC[C@@H](O)[C@H]1COCCN1CC=CCCl	1928573345	IMMXSMDENBTPPZ-NXEZZACHSA-N	235.711	-0.165	50	10	BBGE	
CN1C(C)(C)[C@@](O)(C#N)CS1(=O)=O	1931281343	WEEXASVVXPIJGN-SSDOTTSWSA-N	204.251	-0.705	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C=CCCC2)n1	1932605515	XADABCQQAQCGAH-SECBINFHSA-N	206.054	-0.081	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1COC[C@@H]1O	1933389930	RACSPXMNLCVIEL-WDSKDSINSA-N	229.685	-0.891	50	10	BBGE	
C[C@H]1C[C@@H](C)N(CC(F)(F)C(=O)NN)C1=O	1935924475	BSOFRHUUQGYQQC-NTSWFWBYSA-N	235.234	-0.132	50	10	BBGE	
COC[C@@H](COCC(F)(F)C(=O)NN)OC	1935935105	INRCMRMKEMHASY-LURJTMIESA-N	242.222	-0.710	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@@H]1C[C@@H]1C(=O)NN	1936085015	PBJJSSDKWLTBRZ-GUBZILKMSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(O)(C2CC2)C1	1936093954	IZQKESHMXXKUJZ-IONNQARKSA-N	225.292	-0.931	50	10	BBGE	
O=C(Cn1cnnc1)N1CCO[C@H](CCl)C1	1937148854	JTBVNEQRNQXLBA-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
Cc1ncn(CC(F)(F)C(=O)NN)c(=O)c1C	1940887175	NKNYVOTWIDFSSF-UHFFFAOYSA-N	246.217	-0.515	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941071632	GIQOMCUYNBLRTE-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](C)CN(C)C	1941089538	KODVJGQRAMRSRR-OUAUKWLOSA-N	242.367	-0.116	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CC1(F)F	1942458768	QYPLMSRWRAZUDZ-ZCFIWIBFSA-N	241.002	-0.040	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC1(F)F	1942459193	SYUVPZUNBQCAOF-LURJTMIESA-N	241.990	-0.645	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC2(CCC2)C1	1946407079	GLZFYIILXQXGBX-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1COCCCO1	1948400919	QCENRPVTGAIAAC-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)CBr	1953156138	LXXIHXWNRDWWIP-CRCLSJGQSA-N	208.055	-0.076	50	10	BBGE	
CCCOC1(C(=O)NNC(N)=O)CC1	1954985140	ZTXNIKSSZVOJMR-UHFFFAOYSA-N	201.226	-0.355	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CN(C)NC1=O	1957319270	TYWRCCNRNXSNTB-WDSKDSINSA-N	219.672	-0.535	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)N1CCSSCC1	1957348739	ARIDPCOQUBEXTH-RQJHMYQMSA-N	236.362	-0.082	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[S@@]1=O	1961553730	PLELBZJSYSJJCG-AYVTZFPOSA-N	233.337	-0.791	50	10	BBGE	
C=CC[C@@H](C)Oc1ncc(B(O)O)cn1	1961686648	FTOXQTKVVKNLQF-SSDOTTSWSA-N	208.026	-0.500	50	10	BBGE	
COC[C@H](C)N(C)c1nc(B(O)O)cs1	1961718956	WETIIEKUNOHXQY-LURJTMIESA-N	230.098	-0.706	50	10	BBGE	
CO[C@H]1COC[C@H]1NC(=O)NC(=O)CCl	1974825343	PWWLZZIUMDVWPF-RITPCOANSA-N	236.655	-0.535	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(F)C1	1980594853	VSSYHPHPLWQKCC-UHFFFAOYSA-N	227.243	-0.823	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nnc(C)o1	1981092839	FAYJRQHYBRPCNM-ZETCQYMHSA-N	227.268	-0.422	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568664	WKPRDLCEZNKWPW-IMSYWVGJSA-N	227.308	-0.544	50	10	BBGE	
C[C@H]1CCN(CCC(F)(F)C(=O)NN)C1=O	1984127892	GHNVSECCZOYFFQ-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
CC[C@H](CN(C)CCOCC(=O)NN)OC	1987965144	AOHXYEHRQWCJBA-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1CC(CO)C1	1990039583	SFKLEQIBGVDFQF-UDNWOFFPSA-N	229.324	-0.296	50	10	BBGE	
COCCN(C(=O)/C=C/C(=O)Cl)C1CNC1	1991706749	SWFPFPLAHNKXSN-NSCUHMNNSA-N	246.694	-0.245	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1[C@H]2CC[C@H]1C(=O)NC2	1991714105	BLCLHDBMOHMLGK-FWDZIHJBSA-N	242.662	-0.203	50	10	BBGE	
C=C(CN1CCC(N2CCC2)CC1)B(O)O	1992146500	UNJYQLHHXFYOFK-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
CN1CC(COc2ccccc2B(O)O)C1	1992756497	QLERDJQFDNSRGC-UHFFFAOYSA-N	221.065	-0.693	50	10	BBGE	
CS(C)(=O)=NCC12CC(C(=O)NN)(CO1)C2	1993888994	LCZFEUGGHGSVJQ-UHFFFAOYSA-N	247.320	-0.747	50	10	BBGE	
CC(C)(C)N(C[C@H]1CCOC1)C(=O)C(=O)NN	2003828909	SUTAGHAKWLPHAJ-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](CN(C)C)C1	2003920825	AYEBFGLREODVCY-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@H]1CCCCNC1=O	2004300151	XQVIQVKOHJPGSN-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnn(C)n1	2004800197	IMGONDQEWSHGLC-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)[C@@H](C)C1	2004921418	VVMZRNZQIXBHAA-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@@H]1CC1(F)F	2008844944	UZVQEXVRUMREQE-SSDOTTSWSA-N	243.018	-0.427	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	2014266058	QSXJQJYOHRNVNX-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@H]21	2016676361	VMKATIGWWZGOCP-WCABBAIRSA-N	233.076	-0.426	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC2(CCC2)CO1	2020056450	LAFOKDAPNCDMGD-VIFPVBQESA-N	239.080	-0.370	50	10	BBGE	
Cc1ccc(CC(=O)NCC#CB(O)O)cc1	2021164723	LKYPZTGMBICTOX-UHFFFAOYSA-N	231.060	-0.331	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2O[C@H]3C=C[C@H]2C3)O1	2021852171	QZZZVENMIJIFNL-AATLWQCWSA-N	239.275	-0.532	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC[C@@H]3C[C@@H]32)c1B(O)O	2026073247	ZPFZVHRBBHIHPI-HRDYMLBCSA-N	234.064	-0.358	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3CCC[C@H]32)nc1	2052469412	QLZBBIBNISITFI-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
CCc1ccc(OC)c(B(O)O)c1C=O	2060168185	HHQGAVIOKVEWKU-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CC1(NC(=O)Nc2ccnc(B(O)O)c2)CCC1	2069316865	NCLOPCOTVOIOJY-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1	2079009702	KIPLTOGIBRIJAP-WVSHTKLVSA-N	243.071	-0.492	50	10	BBGE	
C[C@@H]1CCN1Cc1nscc1B(O)O	2209704105	ZFIUKCBZLQAFMJ-ZCFIWIBFSA-N	212.083	-0.583	50	10	BBGE	
C[C@@H](OC[C@@H]1CCCN1C)C(=O)NN	2209910319	YLTJNEQXQXWZDF-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CCOCCN(C)C[C@H]1CC[C@H]1C(=O)NN	2211827118	ALAKFQDXOIZCDO-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NCCCCOc1nccc(B(O)O)c1F	2212612845	PJBKFQSILBOKIH-UHFFFAOYSA-N	228.032	-0.982	50	10	BBGE	
OB(O)c1cnc(NCc2cccs2)nc1	2212613705	YHBHCVJQACSWIU-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
CS[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2212614224	BQPKLDVZNYAAKI-SECBINFHSA-N	238.121	-0.297	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]2[C@@H]1CO	2215770676	CYIIWQDMZBZYBP-QGKZMRNZSA-N	239.319	-0.685	50	10	BBGE	
CON(C)C1CN(CC2(C(=O)NN)CCC2)C1	2216530302	NRMUZDTYPQUBIZ-UHFFFAOYSA-N	242.323	-0.676	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ncco1	2217175688	MCVIJRNRCHTIHS-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
CC(C)CCCCN=c1ncc(B(O)O)c[nH]1	2217178460	WGNBMHSLDAVYTD-UHFFFAOYSA-N	237.112	-0.184	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCO[C@H]32)cc1B(O)O	2217181802	VIXIOQVKDYGZJF-WHGOUJPWSA-N	234.064	-0.731	50	10	BBGE	
Cc1cnc(OC[C@H]2CCOC2)cc1B(O)O	2217183389	KUZSOLNEXABAPG-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2217201987	HKBXGEDEYFJTHM-SCZZXKLOSA-N	235.096	-0.877	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CC12CCCC2)C(=O)NN	2217482360	GFKALUSNRZOCTR-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(B(O)O)c1	2221624527	DQGCMPJGIWVYMG-CBAPKCEASA-N	249.075	-0.031	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(B(O)O)c1	2221624534	DQGCMPJGIWVYMG-VXNVDRBHSA-N	249.075	-0.031	50	10	BBGE	
CCc1conc1CNc1ccc(B(O)O)cn1	2223641247	RTKPPBPIPNSKOA-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Cc1cnc(N[C@]23CCNC[C@H]2C3)cc1B(O)O	2223649163	UWCPNLLKWVPGRE-SKDRFNHKSA-N	247.107	-0.766	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H](C)F	2243348238	VVFTWXNZAKYMDK-RXMQYKEDSA-N	229.016	-0.644	50	10	BBGE	
COC(C)(C)CNC(=O)C1(B(O)O)CCC1	2243348334	WZYJKFFOWZTLRF-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1coc(B(O)O)c1	2243350244	XYRGVMSBPFJDQX-SVRRBLITSA-N	223.037	-0.560	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1occc1B(O)O	2243363761	LRQMPAGRVOKVQT-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
CN(C(=O)c1csnc1B(O)O)C1CCC1	2243377907	JCULCIPEISADBL-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CC1(C)CN(C(=O)c2csnc2B(O)O)C1	2243377983	KQONLEXJXSGUEZ-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)sn1)C1CC1	2243378445	TUZPWBVSBCCRDS-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CC(C)(CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243397168	WVTVLSMKEXZZJW-ZKCHVHJHSA-N	229.085	-0.483	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H](CF)CC1	2243401725	VZLQFSHKAFGRDP-KYZUINATSA-N	227.044	-0.354	50	10	BBGE	
Cc1ccnc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2243420140	NERASGVDMKAOIE-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)B(O)O	2243433155	IRMPGWUBXJMUMZ-AYMMMOKOSA-N	245.109	-0.728	50	10	BBGE	
CN(C(=O)NCCC#CB(O)O)C1CCC1	2244539421	IEPVRPJZQDCBEC-UHFFFAOYSA-N	224.069	-0.414	50	10	BBGE	
O=C(CCOC1CC1)NCCC#CB(O)O	2244548709	SYIPPUXJMSWFHS-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1coc(B(O)O)c1	2247731988	BPFIEHKHVVQVEL-YUMQZZPRSA-N	241.027	-0.420	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1occc1B(O)O	2247751073	SFOWRVDPUXFHSA-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247751313	WDNDIBXGGUOULR-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NOC(C)C)c1	2247752239	LLMOEDAQEBSQFJ-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
O=C(NCC1CC1)c1cccc(B(O)O)c1F	2247752292	MNZNXPTUULWUIQ-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1occc1B(O)O	2247759279	ZPINKTXPSNLWKI-RNFRBKRXSA-N	235.048	-0.655	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1sccc1B(O)O	2247769660	KRAUEHQPQLJOHF-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
C=C1CCN(C(=O)c2ncccc2B(O)O)C1	2247770878	RNUDOUPIBXAUSZ-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(C)c(B(O)O)o1	2247789562	XZCJQRHFNBPOHB-SFYZADRCSA-N	237.064	-0.204	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCOC1	2247797987	PFTVMWUZZVZMRG-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)N1	2247798817	XKMSUDJRWKWVFB-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247800499	PPRQACDOHYSSLF-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)CO	2247805660	CBLZHUCLLOANNS-TURQNECASA-N	241.096	-0.674	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247808931	NFKFCXYKCIYIFM-JBDRJPRFSA-N	245.059	-0.517	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ccc(B(O)O)o1	2247841457	ICTVMGWHRFDBPS-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247855512	TZGJDAFOFNSASW-YIZRAAEISA-N	241.096	-0.125	50	10	BBGE	
CNCCC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247855550	ULDCBIHIVBPTIF-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(F)CC1C2	2247866978	VYVSSWQSQSLOER-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
CCC(C)(C)NC(=O)c1c(B(O)O)cnn1C	2247868922	ZPENYRVAXJPPFO-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
O=C(N1C[C@@H]2C(C(F)F)[C@H]2C1)C1(B(O)O)CC1	2247872169	NWYPPDIGYAVOHL-WDSKDSINSA-N	245.034	-0.037	50	10	BBGE	
Cc1cc(C(=O)NC2CCCC2)oc1B(O)O	2247890814	BTNFAWAAEMIQBP-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1COC(C)(C)C1	2247896516	ZFUZNDZCYHIVBC-YIZRAAEISA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CCC(=O)O)CNC(=O)[C@H]1C[C@H]1B(O)O	2248573757	JJOYSAAMKYAWCF-GJMOJQLCSA-N	243.068	-0.534	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC(C(=O)O)C1	2248592498	CJFQXZDFMMKSCF-CRYROECRSA-N	241.052	-0.829	50	10	BBGE	
CN1CCOC[C@@H]1CN1CCC(B(O)O)CC1	2249379565	XJVFWDJQEUBZIV-NSHDSACASA-N	242.128	-0.744	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H](F)[C@H](F)C1	2249434117	VOQQORANWRQPDI-KNVOCYPGSA-N	244.990	-0.909	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@@H](C1)C2	2249440947	RUTKINQAUJTHEH-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2250002969	RCKNOPYQDIMOPW-YTWAJWBKSA-N	235.092	-0.200	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@@H]2CF)nc1	2251074891	UBOIPDMYURFUAZ-VXNVDRBHSA-N	239.059	-0.294	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CCC[C@H]21	2255472142	CQWXZZIVPQNNOU-LDYMZIIASA-N	248.091	-0.291	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1occc1B(O)O	2255491862	COQYVUAZNLLTRU-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)c1ccoc1	2255548170	SANGJOQUDFMCQW-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC2(CC1)CC2	2255553357	XZWLQJHGPLFZQX-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255674130	WJPUTECAFZJGKR-HTQZYQBOSA-N	248.091	-0.387	50	10	BBGE	
C#CCCC(=O)NCc1cc(B(O)O)ccc1F	2256637382	VGYQDGYJWOOYOZ-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369781	FLPQNSFFMSFUBC-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298464076	PTPGDCOOGPEVCC-FKSUSPILSA-N	241.052	-0.781	50	10	BBGE	
CNC(=O)CN(C)CCC[C@@H]1C[C@H]1C(=O)NN	2300371918	NTGIFUSAMPNHHZ-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1[C@@H]2CO	2302023792	QTGHNSRKHVXUMT-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302189454	ZAVXMIMBEYNSHY-CIQUZCHMSA-N	239.080	-0.515	50	10	BBGE	
CC[C@](C)(CN1CC(=O)N(C)C1=O)C(=O)NN	2303441411	XQLJIZKELSEWLG-SNVBAGLBSA-N	242.279	-0.713	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848028	SEPDNLXCNKIKGY-WPRPVWTQSA-N	240.043	-0.510	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(CCN)C1	2317154496	OEAXIAOFWLTLCV-UHFFFAOYSA-N	245.091	-0.977	50	10	BBGE	
NCC12CC(CCN1c1ccc(B(O)O)cn1)C2	2318078497	RGPOTJSYGJBYMJ-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@](C)(B(O)O)C2)nn1	2319675270	SXHALUZYPKFKBR-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
CCc1nn(CCBr)c(=O)n1N	39647545	JULBXCSVDDUPHD-UHFFFAOYSA-N	235.085	-0.284	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1CCCO	82468739	UAUIOHNXQHHKPY-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCn2ccnc2C1	82469258	ZRYFDXYDKJNHRI-QMMMGPOBSA-N	223.280	-0.533	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H]1C(N)=O	82470031	HSAUJGBUPHRNEO-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
CCC(CC)N(CCO)CCC(=O)NN	82470337	QVBNERARGTZTFZ-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CC(=O)NNC(=O)c1cnc(Cl)cn1	114867273	PAQCEMAGOSHWKK-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CCOC(=O)CN(C)C(=O)NCN=C=O	170294043	WOLIHGSNKXMVRE-UHFFFAOYSA-N	215.209	-0.516	50	10	BBGE	
CCOC(CCn1cc(B(O)O)cn1)OCC	196002265	MXXZWDJGHPONBQ-UHFFFAOYSA-N	242.084	-0.648	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCOC1	211913513	DZKVHCBONCKFTO-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CNS(=O)(=O)CCCl)[S@@](C)=O	232301384	YNOIUUOZHSMXRM-PWCHPLFNSA-N	247.769	-0.088	50	10	BBGE	
NC(=O)[C@@H](Cl)CCCS(N)(=O)=O	238613137	ALFIDYFIZWPUGM-BYPYZUCNSA-N	214.674	-0.852	50	10	BBGE	
O=C(O)[C@@H]1Cc2ccc(B(O)O)cc2C1	238647883	YWMGDKOCBIXYHY-MRVPVSSYSA-N	206.006	-0.834	50	10	BBGE	
N#CCc1ccc2c(c1B(O)O)OCO2	257995097	BQSKMNGZRDFNIU-UHFFFAOYSA-N	204.978	-0.839	50	10	BBGE	
CN1CC[C@@H](CCN(C)C(=O)NN)C1	258660481	BTEGCNMLCVDRDH-QMMMGPOBSA-N	200.286	-0.157	50	10	BBGE	
COc1ccc(C)cc1C[C@H](N)C(=O)NN	259083835	ZWFHZTMOKDWGNW-VIFPVBQESA-N	223.276	-0.137	50	10	BBGE	
CCOC(=O)C1=NC2=NC(C)=C(C=O)CN2N1	259386913	AAYIQMQIRQZASA-UHFFFAOYSA-N	236.231	-0.389	50	10	BBGE	
CC(=O)NNC(=O)COC[C@H]1CCCNC1	260544492	ODWRLCQIUDIGQT-VIFPVBQESA-N	229.280	-0.830	50	10	BBGE	
CN(CCCO)S(=O)(=O)CCCl	300758219	LAKLUVGQPZKDEA-UHFFFAOYSA-N	215.702	-0.131	50	10	BBGE	
C[C@H](C#N)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	306757990	NYRMFIXEKJWCDF-VQVTYTSYSA-N	222.697	-0.108	50	10	BBGE	
OB(O)c1c(O)sc2cc(O)ccc12	306786167	UQGAJSLOHLSCDV-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCN(C(N)=O)C1	307236248	NMDBSUCKSZYLNT-NTSWFWBYSA-N	219.672	-0.117	50	10	BBGE	
COCC(C)(C)NCC(=O)NNC(C)=O	308955624	QLHSPPNHHGORCW-UHFFFAOYSA-N	217.269	-0.832	50	10	BBGE	
Cc1cnc(=O)n(Cc2nc(C(=O)NN)co2)c1	386763050	ILHSCJSFLDZBPH-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)CCCCl	387570094	MTGVBYWFVIVERG-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
NNc1cccc(B(O)O)c1OC(F)(F)F	396053657	PQUDZMZKRBZING-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
O=[N+]([O-])c1nc2c(B(O)O)cccc2o1	396096300	MSSHQWCFIXRTGP-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
Nc1ccc(B(O)O)c2cc(C=O)sc12	396269235	FWBIMRSGNGGAJU-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[S@](=O)Nc1cc(B(O)O)ccc1OC	404971926	OJUGMQMAGPRJMU-INIZCTEOSA-N	243.093	-0.530	50	10	BBGE	
Cc1ccc(NC(=O)c2cnn[nH]2)c(B(O)O)c1	404989233	SDDAGPXDCNULQR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H](NC(=O)N(C)C)c1ccc(B(O)O)cc1	405030555	OUSLEECJZXUDNI-MRVPVSSYSA-N	236.080	-0.301	50	10	BBGE	
CCNC(=O)NCc1sccc1B(O)O	405071007	BMEBQEXDLODFCY-UHFFFAOYSA-N	228.082	-0.753	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2CNC2)CC1	692112146	BXIMLNGSCKAOQE-UHFFFAOYSA-N	209.249	-0.917	50	10	BBGE	
CCN(C[C@@H](C)O)[C@H](C)CCC(=O)NN	692173791	TWYIIEOJBWIUNS-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CCN(CCC(=O)NN)CC1CN(C)C1	692719227	LHYJYTZUFPLGKG-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
CC1CN(Cc2cc(F)cc(B(O)O)c2)C1	698562683	GCTVMBQLCCLKDW-UHFFFAOYSA-N	223.056	-0.043	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CN(C)C(=O)C(=O)NN)[C@H]1C	701347470	HSDDZTJDDGJJPL-MAUMQABQSA-N	243.307	-0.506	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299928	HXCMLAHJSIFSFV-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)N	704704953	BRJFQPKMOIMCKV-LURJTMIESA-N	201.270	-0.131	50	10	BBGE	
CC(C)[C@H]1CN(C[C@@H](C)C(=O)NN)CCO1	708954140	UJMRYISZVNDVRG-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
CCN1CC[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	710094698	QDCIKLLCHONVAC-GUBZILKMSA-N	238.287	-0.003	50	10	BBGE	
C#CC[C@@H](CO)NS(=O)(=O)CCCl	717763021	VUIGLSQGNKZZPF-ZETCQYMHSA-N	225.697	-0.471	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)CCCCl	718218349	OOJXWPAKIYZHDY-SSDOTTSWSA-N	225.697	-0.471	50	10	BBGE	
CN(C[C@H]1CCSC1)C(=O)C(=O)NN	718293569	FUFOQHPEAAKDDH-ZCFIWIBFSA-N	217.294	-0.812	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	780907044	FJDCJSQLQQCANH-XLPZGREQSA-N	227.264	-0.238	50	10	BBGE	
CCN(CCO)NC(=O)c1cncc2nc[nH]c12	911443746	LOCMJTMXFMHYSA-UHFFFAOYSA-N	249.274	-0.083	50	10	BBGE	
COc1c(C(=O)NNc2cccnn2)cnn1C	1261776925	LKLPJAALVINQDY-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
O=C(CO)NNC(=O)c1cnc(C2CC2)o1	1306819476	FNPKIRVJXSPKND-UHFFFAOYSA-N	225.204	-0.695	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCc2nc[nH]c2C1	1327745189	IESRDOLGISRIQR-SSDOTTSWSA-N	222.248	-0.318	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	1328637917	VEBIOAJTSYPHFD-DSYKOEDSSA-N	248.229	-0.193	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CCCCCO	1452353493	WWHBEHILBSYLRH-VIFPVBQESA-N	218.297	-0.117	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)C[C@@H](C)O	1556926223	KSIJRSABQYSKMJ-BDAKNGLRSA-N	215.297	-0.576	50	10	BBGE	
COC(=O)NCC(=O)NNc1ccc(C#N)cn1	1634216740	UZWDRLFTXRRACE-UHFFFAOYSA-N	249.230	-0.248	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCC(=O)O	1883626387	FZYACWDXDROOJH-UHFFFAOYSA-N	205.597	-0.101	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@@H](O)[C@H]1CF	1884172973	QBVLHBSECGXLSW-ZDLURKLDSA-N	211.620	-0.873	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)F)C[C@@H]12	1887186028	HQRDVBIKNDXOLP-BYPYZUCNSA-N	201.157	-0.688	50	10	BBGE	
CC1(C)COC[C@H]1COCC(=O)NN	1888231461	QDUFKLVEHXPAOH-SSDOTTSWSA-N	202.254	-0.335	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	1888621433	HYPNAAOATVTKLY-BLYWCMIRSA-N	211.290	-0.247	50	10	BBGE	
NC(=O)[C@@H]1CNCCN1C[C@@H]1C[C@H]1Cl	1893100352	UYRQTNPEVSHECI-RNJXMRFFSA-N	217.700	-0.627	50	10	BBGE	
O=C(NC1(C(=O)O)CNC1)[C@@H]1C[C@@H]1Cl	1893452796	IMMJQCXPQMRHMP-UHNVWZDZSA-N	218.640	-0.844	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H](O)[C@H](O)C1	1893469586	KQHNTQRHRORIKK-ULAWRXDQSA-N	219.668	-0.432	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COCC[C@@H]1C(=O)O	1894274402	QIOXOOOWAPUXKL-NKWVEPMBSA-N	231.252	-0.748	50	10	BBGE	
C=C(CN1CCOC[C@H]1CF)B(O)O	1895169740	RBWHXEGAUHPUHY-MRVPVSSYSA-N	203.022	-0.775	50	10	BBGE	
CC[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)O1	1897728066	DZRUUSPDMRPRDX-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CN1CCC[C@H](N2CC[C@H](B(O)O)C2)C1=O	1902515249	DLXYYTSZRRVPMF-IUCAKERBSA-N	226.085	-0.844	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCn2ccnc2)C1	1902515905	NKJNBFUBZIGWCX-SNVBAGLBSA-N	223.085	-0.178	50	10	BBGE	
Cn1nccc1CCN1CC[C@@H](B(O)O)C1	1902542125	VSOOSVXLOVWYLG-SECBINFHSA-N	223.085	-0.489	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCSC1	1902746488	NQTRTXQWZCSWDC-UHFFFAOYSA-N	234.089	-0.251	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2COC[C@H]2O1)C(=O)NN	1904649304	RYTWKTYBLYEWFG-HRDYMLBCSA-N	229.280	-0.305	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CC[C@H](O)CC1	1905866122	OHJPKOXAOGEGMY-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]12CN(CC3(C(=O)NN)CC3)C[C@]1(CO)C2	1906340156	LLSQOUYRGKKNKX-PWSUYJOCSA-N	239.319	-0.539	50	10	BBGE	
CC1(CF)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1908718286	DYDKBOHVVVSPIJ-DTWKUNHWSA-N	245.298	-0.185	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1COc1ncc(B(O)O)cn1	1910813406	FVTISXSWGPCGEV-WPRPVWTQSA-N	236.080	-0.173	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1917583277	XLWUHXCXSBRWSE-IMFYSGRJSA-N	209.249	-0.022	50	10	BBGE	
CN(NC1=NC[C@H](CO)N1)C(=O)OC(C)(C)C	1923413684	ZZDLGJGGKBIUCI-SSDOTTSWSA-N	244.295	-0.322	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCN1Cc1ccccc1	1923836122	SEJDWDCTUHBPQI-SNVBAGLBSA-N	248.286	-0.040	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1927867085	QIRKJVWFFWPYIR-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
C[C@H]1CCC(F)(F)CN1C(=O)C(=O)NN	1928329433	ZXSUMTPKGXXADP-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CO[C@H]1CN([C@@H](C)C(=O)NN)CC12CC2	1930231150	HQQRSVAQPIDYID-YUMQZZPRSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2CC[C@H]21	1931927031	MJCVOBMYEIRHFD-RNFRBKRXSA-N	201.295	-0.444	50	10	BBGE	
CS(=O)(=O)C1CN(C[C@H](O)CCl)C1	1932097906	LXMHHVPJZLTQIR-ZCFIWIBFSA-N	227.713	-0.685	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@H](C)C(=O)NN)C1	1933286134	HFASYHXJSVFINZ-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1CC(=O)NN	1934786443	CNVOTKJBBNXQGB-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CCN(CC)CCCn1cc(B(O)O)cn1	1936470816	YXISTGJKWYZNHK-UHFFFAOYSA-N	225.101	-0.705	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](C)CN(C)C	1941089537	KODVJGQRAMRSRR-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCCOC1	1941772235	GHAULJCUVBHWPN-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)C1(CN2CCn3ccnc3C2)CC1	1945894197	UFQXNSWVMHWJOE-UHFFFAOYSA-N	235.291	-0.531	50	10	BBGE	
NNC(=O)C(=O)NCc1cncc2c1CCC2	1946612242	DGQCEBFFUDCNGM-UHFFFAOYSA-N	234.259	-0.824	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1cnnn1C	1950438978	LJPVVPNVWOQHCO-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
O=C1CNCCN1CCBr	1953169231	OKMVMUSBTKMAAW-UHFFFAOYSA-N	207.071	-0.187	50	10	BBGE	
O[C@@H]1CN(C[C@@H](O)CCl)[C@H]2COC[C@@H]12	1955241173	QTHKBSDCBXCOLI-UYXSQOIJSA-N	221.684	-0.722	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cn(C)cn1	1958690276	KFQTYQAPRCPBBY-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)C(=O)NN)O1	1958886020	XNWQFEITXLLAJB-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
COC1(CN(C)CCC(=O)NN)CCC1	1960729129	MESUVAYMWJJPJK-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CS(=O)(=O)c1ccc([C@@H](N)B(O)O)cc1	1961129058	KKCSKHVXYOIAFW-MRVPVSSYSA-N	229.066	-0.898	50	10	BBGE	
CN(CC(=O)NN)CC12CC(CCO1)C2	1975299443	ULIZPDCFGREUKX-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H](C)C2CC2)n1	1981421878	GVZGHMXDQSKNDP-LURJTMIESA-N	222.053	-0.358	50	10	BBGE	
Cn1cnnc1CCNC(=O)/C=C/C(=O)Cl	1991704671	VNJPJVQYRXXGAA-NSCUHMNNSA-N	242.666	-0.205	50	10	BBGE	
C=C(CN=[S@](C)(=O)c1cnn(C)c1)B(O)O	1992160307	VQFCPRNKBOLUBY-MRXNPFEDSA-N	243.097	-0.555	50	10	BBGE	
OB(O)c1ccn(CC2C[C@@H]3[C@@H](C2)C3(F)F)n1	2000413485	ZDPGCABGFJQKSK-HTQZYQBOSA-N	242.034	-0.146	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@H](C)[C@H](C)C(=O)NN)C1	2002123128	YVWQBOYOSYHNJO-JLIMGVALSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1c1ncon1	2004033814	WXFVVHGQBCTOQI-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
C[C@H]1CCCN(c2ncc(B(O)O)cn2)[C@H]1C	2004912516	URMXZVXOONSWFG-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
CCOC1CN(c2nc(C)ccc2B(O)O)C1	2005015936	HSLNNWWORWTYKH-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CN(C1CC1)C1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2005176495	FGRUCQKGUAKKGG-LDYMZIIASA-N	238.335	-0.609	50	10	BBGE	
COC[C@@H](Oc1cncc(C#N)c1)C(=O)NN	2007701654	YLMOUDASZMXRTN-SECBINFHSA-N	236.231	-0.663	50	10	BBGE	
C[C@@H]1CNC(=O)CN1[C@@H](C(=O)NN)C(C)(C)C	2010571611	UMNKFLZPLSRXFJ-APPZFPTMSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC(O)C[C@H]2C1	2012905063	YJJLXIATLWGDKF-WYOJIJJFSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CO)C12CC2	2016079256	GAOISDHHBBOSLW-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
Cc1nc(C(=O)Nc2ccnc(B(O)O)c2)co1	2031814656	GJSPATVSEYUXCA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(CCN1CCCC1)c1ccc(B(O)O)cn1	2052471143	CJKMYYYOIOIIDK-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1ncc(B(O)O)c(N2O[C@H]3C=C[C@H]2CC3)n1	2077856140	RHQQGMNJURNTMY-IUCAKERBSA-N	247.063	-0.696	50	10	BBGE	
CN1CCC[C@@H]1COCCOCC(=O)NN	2211863045	ZYDZXLVXTJSMNI-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)N(C)C[C@H]1C	2212072152	WKAKHWKGRRGNIW-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCO[C@H](CF)C1	2215777294	RQAOQMYJAARQNX-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCCN1	2217176528	XIYYISISRKHSJB-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
OCC[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C1	2217180790	KVFLKSNAIMMWOW-CZMCAQCFSA-N	236.080	-0.666	50	10	BBGE	
CC[C@@](C)(CO)Nc1nccc(B(O)O)c1F	2217184305	OGDZVIKJFXPQDD-JTQLQIEISA-N	242.059	-0.527	50	10	BBGE	
CCCN(CCC#N)c1ccc(B(O)O)cn1	2217184771	VYTLUXCYGICOKX-UHFFFAOYSA-N	233.080	-0.109	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(=O)n(CCC(=O)NN)c1	2217387513	ZBWHEDHTYXOHBG-UHFFFAOYSA-N	240.219	-0.555	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1Cn1cc(B(O)O)cnc1=O	2217411858	ZGFIQFJWQIVOES-PSASIEDQSA-N	236.080	-0.785	50	10	BBGE	
C[C@H](C1CNC1)N(C)Cc1cccc(B(O)O)c1	2220053233	BZDZOIOBCKSOQK-SNVBAGLBSA-N	248.135	-0.594	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)C[C@@H]2NCC[C@@H]21	2223618456	AFNFKCRNPDWCSH-PEXQALLHSA-N	248.091	-0.719	50	10	BBGE	
CCc1ncncc1Nc1ccc(B(O)O)cn1	2223647214	USSVKIQGBFRFEO-UHFFFAOYSA-N	244.063	-0.143	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)c1ccc(B(O)O)cn1	2223669548	LHHKEPROSOZJPT-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1cnc(NC2([C@H]3CCCO3)CC2)nc1	2223672720	BXFSIQMGSCHPDX-SECBINFHSA-N	249.079	-0.720	50	10	BBGE	
C=CCCN(C)C(=O)c1coc(B(O)O)c1	2243349936	SQUJNZBRVITNQC-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@@H]1CF	2243358633	ISNQTKGPMFBWCT-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
N[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243363536	IKLFMLOZYMFEBS-YUMQZZPRSA-N	226.085	-0.621	50	10	BBGE	
CCC1(O)CN(C(=O)C2CC(B(O)O)C2)C1	2243391914	OTGAHPAJRMUGPB-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2243758163	AXZFLWCYOUGSBP-WDSKDSINSA-N	227.025	-0.933	50	10	BBGE	
COC(C)(C)C(=O)N1CCC(B(O)O)CC1	2244194533	WFTIGELDBVMIBK-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
CCC(F)(F)CNC(=O)c1coc(B(O)O)c1	2247733463	NNJZVEDQFLUGMI-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2coc(B(O)O)c2)C1	2247733775	QDRJAFHNDFXFEJ-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](O)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2247750260	GUDGDSXJXFAGFG-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H](C)[C@H]1N	2247754675	FFIWNTNLZCQWLH-HLTSFMKQSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)cn1	2247771320	VFJODAHVXAJPHQ-SFYZADRCSA-N	234.064	-0.758	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ncccc1B(O)O	2247771431	MAZSBZJZUGIPHV-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
Cc1cc(C(=O)NCC(C)(F)F)oc1B(O)O	2247801164	XRJRYZPWAYYZKG-UHFFFAOYSA-N	247.006	-0.347	50	10	BBGE	
Cc1nc(CNC(=O)[C@@H]2C[C@H]2B(O)O)oc1C	2247808853	WKPMSTJGTNWRBR-HTQZYQBOSA-N	238.052	-0.229	50	10	BBGE	
CN(CC12CC(CCO1)C2)C(=O)C#CB(O)O	2247847685	AHUXIIUNIWPWFT-UHFFFAOYSA-N	237.064	-0.971	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247851493	ZEPRAEOYMNPXES-ZXFLCMHBSA-N	236.080	-0.531	50	10	BBGE	
CNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247860630	ZEEHYMWDHXHIRG-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C(F)F	2247874739	SWRRFOFEIUSWHK-RITPCOANSA-N	248.038	-0.956	50	10	BBGE	
C[C@H]1CCO[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893129	MRUFJNMHKNYEBU-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
CN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897956	YUEGXMRIQHUUQO-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
Cc1cncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247898327	CJCCMMCSPAZULP-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
O=C(NC[C@H]1CC=CCO1)[C@H]1C[C@@H](B(O)O)C1	2247902297	DVWSWMUXTKSDDQ-KXUCPTDWSA-N	239.080	-0.299	50	10	BBGE	
O=C(NC1CC2(CNC2)C1)[C@H]1C[C@@H](B(O)O)C1	2247906593	YPRMZWMQGTWXOZ-OCAPTIKFSA-N	238.096	-0.892	50	10	BBGE	
CN1CC2(C1)CN(C(=O)C1CC(B(O)O)C1)C2	2247910642	QNZSNJWOGUGFIS-UHFFFAOYSA-N	238.096	-0.987	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C[C@@H](C)O)c1	2248439472	AFWXFRYAQJIYSO-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)CCCCNC(=O)C1CC(B(O)O)C1	2248586170	WVFCZGPAVGKKGG-UHFFFAOYSA-N	243.068	-0.390	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=C[C@H]1CF	2249424347	RERDFEBWAFRGSN-ZETCQYMHSA-N	239.011	-0.691	50	10	BBGE	
O=C1CN([C@H]2CCCN(C3CC3)C2)CC(=O)O1	2250911609	XEIDRPIVHODODN-JTQLQIEISA-N	238.287	-0.001	50	10	BBGE	
N#CCCN(C(=O)C#CB(O)O)c1ccccc1	2255465037	FBGICBBJJXKUSZ-UHFFFAOYSA-N	242.043	-0.051	50	10	BBGE	
N#Cc1cccc(CCNC(=O)C#CB(O)O)c1	2255465537	LUMGFMZVNYROSC-UHFFFAOYSA-N	242.043	-0.768	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCc2ccccc2C1	2255466670	BWBRBUPAZRICHK-LBPRGKRZSA-N	243.071	-0.325	50	10	BBGE	
N#CCOc1cccc(NC(=O)C#CB(O)O)c1	2255468174	XBBRKFWPPYXGJJ-UHFFFAOYSA-N	244.015	-0.457	50	10	BBGE	
O=C(Nn1cccc1)c1c(F)cccc1B(O)O	2255510460	WVHAMHFXBOBJCC-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
C=C1CN(C(=O)c2ccc(OC)cc2B(O)O)C1	2255527919	TZLFOQQRZXGRRB-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@H]2CCC[C@H]21	2255553036	SMQJNAWNBDWCEY-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N=c1cco[nH]1	2255682508	ICJSIYJITAQMMN-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cn2)CCCC1	2255715803	KMDSHXGLRBRNHY-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)C1(C)CC1	2255716562	DLMAVZVDXZHMRH-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC[C@H]2C[C@@H]21	2255892229	ZHUUQYWAHJJISW-KWQFWETISA-N	246.075	-0.008	50	10	BBGE	
Cc1nc(C(=O)Nc2ccccc2B(O)O)n[nH]1	2256639246	HJCPTIONABEDNE-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1[nH]nc(NC(=O)c2cc(B(O)O)co2)c1C	2258129121	TXGYRZWUGPHUKS-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369915	IWVWNKQFQFYLSI-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)[C@@H]1C[C@@H]1B(O)O	2298370794	MTUMFEZGRFLSTJ-DKIAZLNASA-N	238.096	-0.892	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@H]21	2298376372	UIUBRULMSYXPKZ-OEZYJKACSA-N	239.080	-0.779	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cc2C#N)CNC1	2301340842	IVKMAOGGBAYCPV-UHFFFAOYSA-N	231.064	-0.988	50	10	BBGE	
C[C@@H](N)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301345713	JEUPGUINHSXBHE-HTQZYQBOSA-N	233.080	-0.614	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(C)c(B(O)O)c1	2301605878	QUARGEWYJXTROQ-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
CNC[C@@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445827	DBXGJQOOANTRJA-JTQLQIEISA-N	241.291	-0.600	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@@H]21	2312517069	PYVGVPQPAWVSNK-ZESFFYIMSA-N	249.314	-0.131	50	10	BBGE	
O=Cc1ccc(N[C@H]2CCCOC2)cc1B(O)O	2317308695	MKFOXGGAUYDGGU-NSHDSACASA-N	249.075	-0.230	50	10	BBGE	
N[C@@H]1CCCN(CC(=O)NNc2ccccn2)C1	41029530	CDJHGBYQJDIZJS-SNVBAGLBSA-N	249.318	-0.052	50	10	BBGE	
NNC(=O)c1ccc2c(=O)[nH]cnc2c1	80636269	RSIRSTUYVAVTLA-UHFFFAOYSA-N	204.189	-0.473	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469324	OPVJULADPCTFFS-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NN)n1	82471971	XOVJJVRFDVROTD-YFKPBYRVSA-N	228.277	-0.451	50	10	BBGE	
Cn1cc(C(=O)CCCl)c(=O)n(C)c1=O	130764877	OTGHDQZOTBYOEO-UHFFFAOYSA-N	230.651	-0.104	50	10	BBGE	
CNCc1ccc2cccc(B(O)O)c2n1	195851769	QXVYHUQKORDENB-UHFFFAOYSA-N	216.049	-0.366	50	10	BBGE	
CCOc1c(OC)cc(B(O)O)cc1OC	197572016	UAUWXLDUIPDAKI-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)Cc1cccc(B(O)O)c1	226586847	IVQPTXHCKMVVGK-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
CC(C)O[C@@H](O)c1cccc(B(O)O)c1	238200882	KFPGUWWFUVACOI-SNVBAGLBSA-N	210.038	-0.218	50	10	BBGE	
CCOC(=O)c1nccc(Cl)c1B(O)O	238283827	SEZMZAFNGSGYEA-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
OB(O)c1cnc2[nH]nc(C3CC3)c2c1	238658878	LVKZBVIGFQENIT-UHFFFAOYSA-N	203.010	-0.485	50	10	BBGE	
COC(=O)[C@H](O)[C@@H]1C[C@@H](Cl)C(=O)O1	238802138	SUFXXMJBALNFME-MROZADKFSA-N	208.597	-0.557	50	10	BBGE	
NC(=O)NNC(=O)NCC(F)(F)F	306575939	SRPGBFPFVTZBNX-UHFFFAOYSA-N	200.120	-0.569	50	10	BBGE	
Nc1cc2sccc2c(B(O)O)c1N	306847244	JPQZAUKNBUANGX-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COc1cnc(Cl)c(F)c1B(O)O	307056630	VWKWFWPFGCRDLC-UHFFFAOYSA-N	205.381	-0.438	50	10	BBGE	
C[Si](C)(C)OC(=O)CC[C@@H](N)C(N)=O	308407241	UCNLRTUZWUOIRN-ZCFIWIBFSA-N	218.329	-0.043	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@@H]1CCOC1	308792391	BKSZNUVHUXJZGJ-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(Cc1nncn1C)C(=O)NC(=O)CCl	309173639	BFCDYLQGRZHMRQ-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CNCC(C)(C)N(C)C	309895476	FSFXKJSRVFOLDJ-UHFFFAOYSA-N	230.312	-0.917	50	10	BBGE	
CSCCC(=O)NNC(=O)CCO	379383968	MDXQZJULIBYZKD-UHFFFAOYSA-N	206.267	-0.731	50	10	BBGE	
CCOC(=O)CO[C@@H]1CNNC(=O)[C@@H]1Cl	379845861	HVVPPNLGUXISRO-IYSWYEEDSA-N	236.655	-0.824	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(F)F)C(C)C	386865726	ZHENTLPDMAMUST-ZETCQYMHSA-N	239.266	-0.033	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@](C)(CN)C1	390223694	AULCOVSPGKKUSK-KOLCDFICSA-N	228.340	-0.184	50	10	BBGE	
CCC1(C(=O)Nc2ccnc(B(O)O)c2)CC1	404976964	ZABHHPZMIAVFHT-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
NC(=O)NCCC[C@@H]1NC(=O)OC1=O	575444935	RNWAJEVDCPDDKZ-BYPYZUCNSA-N	201.182	-0.930	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCSC[C@@H]1CCO	689852568	VSYRUTTYHRQOKZ-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
CN(C[C@]12CCC[C@H]1C2)C(=O)C(=O)NN	693537968	WFVRTCKZQDUOLF-OIBJUYFYSA-N	211.265	-0.375	50	10	BBGE	
COCCCn1nc(C)c(B(O)O)c1C	694226822	FVLIFCMELVYMMO-UHFFFAOYSA-N	212.058	-0.784	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](C(F)(F)F)C1	698948617	GSYFXTFVHYZHHY-PHDIDXHHSA-N	241.213	-0.372	50	10	BBGE	
Cc1cn(Cc2nc(C(=O)NN)co2)c(O)n1	699598154	BCEQEJALBJGLEN-UHFFFAOYSA-N	237.219	-0.463	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CN(C)C[C@@H]2C1	706313636	SBDZHOOYKUVKKH-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
C[C@@H](O)C1CN(Cc2nc(C(=O)NN)co2)C1	719811654	PVSVEKCCVPMQNG-ZCFIWIBFSA-N	240.263	-0.909	50	10	BBGE	
CNC(=O)N1CCCc2c(B(O)O)cccc21	725699161	KMNQYQXKLNZKHO-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
CCC(=O)NNC(=O)Nc1cc(OC)n(C)n1	775918768	FKARHFUXIFOXNK-UHFFFAOYSA-N	241.251	-0.009	50	10	BBGE	
Cc1ccn(CC(=O)NNc2nnc(C)n2C)n1	856045619	DNRTZADLJMUMQO-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
COCCOCC(=O)NN=c1cc[nH]cc1C	862502940	CIPIURDHFHYSPD-UHFFFAOYSA-N	239.275	-0.082	50	10	BBGE	
CCN(CCO)NC(=O)COC1CC1	911439783	PCYBGAFTNLMYMV-UHFFFAOYSA-N	202.254	-0.489	50	10	BBGE	
CC(=O)NNC(=O)C1(n2cccn2)CC1	929182641	JOPGEHMQDPHXKD-UHFFFAOYSA-N	208.221	-0.461	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H]1C	1318943209	UQICVVZMTXKXDQ-RITPCOANSA-N	229.236	-0.854	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@]1(C)CCC(=O)NC1	1325128960	NRBSXORLMDDIOF-JTQLQIEISA-N	242.279	-0.747	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@H](F)C1	1325911094	XSDQGJJYHFPVEO-RQJHMYQMSA-N	218.228	-0.346	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1	1328064398	YLSNORROJMZYOI-KVSKUHBBSA-N	241.247	-0.712	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C/[C@@H]1CCOC1	1597672212	QHLGAWPQSVXYLD-MPJRPATESA-N	227.264	-0.071	50	10	BBGE	
COC(=O)CCCC(=O)NNC(=O)C(C)(C)O	1634250029	RAQTUSMYMFWAHL-UHFFFAOYSA-N	246.263	-0.752	50	10	BBGE	
O=C(CO)NNC(=O)c1cccnc1C1CC1	1641424030	MNTVUAVDXKNOFL-UHFFFAOYSA-N	235.243	-0.288	50	10	BBGE	
CNNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1880023333	KOYBDZAMRDHIBZ-RNFRBKRXSA-N	247.295	-0.489	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)C1COC1	1881741563	FSLQBUNJENWKON-NKWVEPMBSA-N	205.641	-0.245	50	10	BBGE	
CC(C)[C@H](SC1CNC1)C(=O)NN	1882119940	DXFZSOZUPTZIIP-ZETCQYMHSA-N	203.311	-0.294	50	10	BBGE	
C[S@@](=O)CC1(C)CN(C(=O)NN)C1	1882699869	IOSYVJIJMYSCDU-CYBMUJFWSA-N	205.283	-0.730	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NS(=O)(=O)CCF)C1	1884893692	DSMRZHJDWMHNQI-NKWVEPMBSA-N	244.719	-0.203	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1C(=O)NN	1885614175	KYWJQKNJFTXRPX-ZCFIWIBFSA-N	200.242	-0.974	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1885892420	PAEZBWQCZPZSNB-YUWMTVOPSA-N	219.668	-0.575	50	10	BBGE	
C[C@H](CN(C)C(=O)C(=O)NN)C(F)F	1886194121	JURLUQGZAMLIMK-SCSAIBSYSA-N	209.196	-0.664	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)C=CC(=O)Cl	1893404256	DAJHAVIYSNWVSG-RXMQYKEDSA-N	216.624	-0.606	50	10	BBGE	
O=C(N[C@]1(CO)CCOC1)[C@@H]1C[C@H]1Cl	1893446641	POAJSXPODMBBJI-BHNWBGBOSA-N	219.668	-0.119	50	10	BBGE	
C[C@H]1COCC(=O)N1[C@H](C)CC(=O)NN	1893864193	MORBTTSCFLHHRL-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@@H]21	1895660154	CTRABBICDJSJBA-XAVMHZPKSA-N	227.308	-0.544	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COC[C@H]21	1897315600	ITAVVBBKQSEPOC-RNFRBKRXSA-N	235.234	-0.668	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCCl	1900166008	MWLSXHCEGXPPOG-IWSPIJDZSA-N	223.700	-0.596	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@H](F)C1	1900260615	SLEZELABBQMCII-IWSPIJDZSA-N	231.271	-0.717	50	10	BBGE	
CN(CC1(O)CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	1901667817	PCRYQUNNJFQVEF-ZKCHVHJHSA-N	227.069	-0.777	50	10	BBGE	
OB(O)[C@H]1CCN(CCCn2cncn2)C1	1902511224	FNJXDBIOZQPGGM-VIFPVBQESA-N	224.073	-0.783	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)CC(=O)NN)[C@@H]1C	1914335093	NOMVSXVXCMEWJH-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914395349	BUQDUPMARCFSKN-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CN1CC[C@](F)(CO)C1)C(=O)NN	1917088594	VRWVCGZZWBHZSG-VXNVDRBHSA-N	219.260	-0.981	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926423662	ZKVXMRKTIYWSIH-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)c1csc(CN2CCCO2)n1	1928676223	DNGXMFWXDORAMI-UHFFFAOYSA-N	228.277	-0.116	50	10	BBGE	
CCS(=O)(=O)N[C@H]1CN(C)C[C@@H]1Cl	1928750608	HXHFJHCFUWNYQK-BQBZGAKWSA-N	226.729	-0.153	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC(C)(C)CC1	1929634284	VZIJGQXMRONOTR-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929911410	WGOOALJAYCQERR-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
O=C(CCl)NCCC[C@H]1NC(=O)NC1=O	1930629285	GFFDMLRYGZSRAK-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CCCOC2)CC1	1932291034	QHKXXCFTOSOZGZ-QMMMGPOBSA-N	214.265	-0.048	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1CNCCn1cnnn1	1933387564	VJAJQTMXENFLCW-JGVFFNPUSA-N	231.687	-0.484	50	10	BBGE	
Cn1nnnc1[C@H]1CS(=O)(=O)C[C@H]1Cl	1934445126	BTHUSORMKRLTOX-CRCLSJGQSA-N	236.684	-0.671	50	10	BBGE	
C[C@]1(C#N)CCN(CC(F)(F)C(=O)NN)C1	1935937131	ZAEQURJHFYQDJN-MRVPVSSYSA-N	232.234	-0.153	50	10	BBGE	
CCOC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936089369	BLNJBBSCXRLPBI-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
COCCN(C[C@H]1C[C@@H]1C(=O)NN)C(C)C	1936094354	MLSWNQCGMGGYGQ-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC2(C(=O)NN)CC2)CO1	1938247353	RTTOYDGQCCLIJN-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@@H]2C(=O)NN)nc1[N+](=O)[O-]	1941085744	FRDSJAUUWHKZBW-BQBZGAKWSA-N	239.235	-0.274	50	10	BBGE	
CN(C)C1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941086682	JRRUMFWJKAFTGP-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2COC[C@@H]2C1	1941092800	MFPYCWOWXGBTNT-XWLWVQCSSA-N	239.319	-0.419	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941288802	RLTVBJUCVXCMET-DAWVFNFOSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)[C@@H]1C(=O)N(C)C	1942611833	AMZGNNONWMMSEA-WPRPVWTQSA-N	242.323	-0.835	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@@H](N)[C@@H](O)C#N	1952950821	PACVQAZJIOBJNB-WDSKDSINSA-N	211.181	-0.787	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)[C@H]2COC[C@H]21	1955240589	OKEUMRQMLRUWQN-RRKCRQDMSA-N	241.696	-0.796	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955549771	SQPRQEMKIGCUIE-CRYJXSNHSA-N	219.668	-0.432	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N(C(=O)NN(C)C)C1	1958425205	KAYLRIAYNUEJMD-RQJHMYQMSA-N	215.253	-0.032	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]1C	1959198634	VMNFCZNTMWURIE-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)[C@@H]2C[C@@H]21	1960954383	YUEZFTGVQYHKTQ-NKWVEPMBSA-N	231.683	-0.150	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CC(n2cnnc2)C1	1961265885	VAKNXMGQXZIUFE-ZETCQYMHSA-N	230.655	-0.173	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@]1(C)CC1(F)F	1961739668	CUEILRKDFLQCMG-MHTLYPKNSA-N	221.207	-0.474	50	10	BBGE	
CN(CCN1CCNCC1)C[C@@H](Cl)C#N	1962290245	OLKUKFOWKVUPEO-JTQLQIEISA-N	230.743	-0.046	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)CC1(C)C)C(=O)NN	1980722855	NSMZRKQKFLAURF-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CCN(C)C[C@@H]1CCN([C@H](C)C(=O)NN)C1	1980792040	ZMQXCECZOKKZRN-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cncnc1OCc1ccco1	1981422910	VUQSBPHSQBPUPU-UHFFFAOYSA-N	219.993	-0.672	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC(F)(F)C1	1988004020	CUYIPNJRMYZSKI-UHFFFAOYSA-N	231.970	-0.644	50	10	BBGE	
CC[C@]1(C)CC(=O)N1CCOCC(=O)NN	1989115285	KHEMVQHVBVCBHI-SNVBAGLBSA-N	229.280	-0.606	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1989116666	GIQNPHCEPDFFAM-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CN(CCn1cc(B(O)O)cn1)C1CCC1	1990145407	UHUWNUBASVTQLW-UHFFFAOYSA-N	223.085	-0.953	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOC[C@H](CO)C1	1991647166	AFEHPFWMGQEINF-QMMMGPOBSA-N	247.678	-0.225	50	10	BBGE	
C=C(CN1CCC[C@H]2[C@H]1CCN2C)B(O)O	1992158668	BUVYOOXIAYDKRO-WDEREUQCSA-N	224.113	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CCN(C)[C@H]2C1	1996607704	HCAASJUGQICBQX-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CC(C)COC[C@H]1CCCN1C(=O)C(=O)NN	1996849628	GFGDDNCYVPUTPJ-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2ncnc2C1	2003925437	LEURLHABKALJLX-VIFPVBQESA-N	238.295	-0.892	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CCC[C@H]3C2)nc1	2004919006	SWAMGNGJWXRHDD-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CCOC[C@@H](C)Oc1ccc(B(O)O)c(C)n1	2004935878	RCSXSEVJOVRWRK-MRVPVSSYSA-N	239.080	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](F)C[C@H]2C)n1	2005018288	RBTVSQLMNBVXKG-SVRRBLITSA-N	239.059	-0.598	50	10	BBGE	
CCC[C@H](C)n1cnc2c(B(O)O)ncnc21	2007065724	VXWJUBNFXNCLBU-ZETCQYMHSA-N	234.068	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1[C@H]2OCC[C@H]12	2007575294	XMZGKLCUPYIZFG-DAWVFNFOSA-N	241.335	-0.032	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975441	PHMSIGVYZSLYNC-OGBGREFGSA-N	239.319	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC2(COC2)C1	2011119451	HDTMKPFYYDHAEN-SECBINFHSA-N	243.307	-0.898	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1	2022196249	JOKMDDRAPQROLZ-VIFPVBQESA-N	231.060	-0.635	50	10	BBGE	
NNC(=O)C12COC(CN3CC4CC3C4)(C1)C2	2023851533	AKJXLCADOBGEST-UHFFFAOYSA-N	237.303	-0.380	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1ccc(B(O)O)cn1	2025752877	NJCPAILUANAIEU-KWQFWETISA-N	238.071	-0.054	50	10	BBGE	
Cc1ncc(OCc2cncn2C)cc1B(O)O	2031602808	CIPVEDOLIPUIKL-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H](N)[C@H]3C[C@@H]32)CC1	2047466039	NCGIUSFKQIMHMD-MMWGEVLESA-N	249.314	-0.153	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C)[C@@H](C)C2)n1	2052624136	DFUDQTJWRBSPPS-BDAKNGLRSA-N	249.123	-0.053	50	10	BBGE	
CCc1c(B(O)O)ccc([N+](=O)[O-])c1C=O	2060035613	NESUSISKSILSLH-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCC(C)(C)c1cn(CC(=O)NN)nn1	2060363654	PHOHPYQEMICDHF-UHFFFAOYSA-N	211.269	-0.044	50	10	BBGE	
OB(O)c1csc(CN2[C@H]3COC[C@H]2C3)c1	2211080166	YHVSZZWMIXRLKC-RKDXNWHRSA-N	239.105	-0.599	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)[C@@H](C)CN1C	2212071056	PEZYOEKFMKSUPJ-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CC(F)F)Nc1ncc(B(O)O)cn1	2212602286	BJSJJRFGNZHNNJ-YFKPBYRVSA-N	231.011	-0.388	50	10	BBGE	
C[C@]1(F)CCN(c2cc(B(O)O)ccn2)C1	2212613169	SSECUKNKIXALCD-JTQLQIEISA-N	224.044	-0.300	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1cc(B(O)O)ccn1)C2	2212613383	VDXSOMZMNXMTGZ-KWQFWETISA-N	218.065	-0.392	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@@H](C)C(=O)NN	2212633546	SFSRYDLEAZPHEL-RXMQYKEDSA-N	228.227	-0.683	50	10	BBGE	
NNC(=O)CCOc1ccc(CC(N)=O)cc1	2213214525	BICBCELNMVSDKK-UHFFFAOYSA-N	237.259	-0.527	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1ncccc1B(O)O	2214986944	BSDYSMPLHBWTIC-JGVFFNPUSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(O)(C(F)F)C1	2215777572	TXVASDPXJPAQLB-RNFRBKRXSA-N	249.261	-0.686	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217176339	VICIIYIOLQIEPY-NXEZZACHSA-N	235.096	-0.557	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1cc(B(O)O)c(C)cn1	2217180253	GFUMCSZAYPDTDK-MWLCHTKSSA-N	236.080	-0.341	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2COCC[C@H]21	2217183455	IKXOGKLMCPYCSX-KHQFGBGNSA-N	234.064	-0.792	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CC[C@H]2C[C@H]21	2217197449	MPGSANLWTUCTHI-JMJZKYOTSA-N	232.092	-0.004	50	10	BBGE	
CC1(N)CCN(c2ncccc2B(O)O)CC1	2217198206	YAIYMDXRKNQDQC-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
CCCN(CCC#N)c1ncccc1B(O)O	2217202052	UKVXLFKUIFIOBV-UHFFFAOYSA-N	233.080	-0.109	50	10	BBGE	
CC[C@H](CCCO)Nc1ncc(B(O)O)cn1	2217202085	USPANBQHIGYBDR-SECBINFHSA-N	239.084	-0.881	50	10	BBGE	
OB(O)c1cccnc1NCCOCC(F)F	2217204829	PJXKQHSGLXUJPW-UHFFFAOYSA-N	246.022	-0.545	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223635296	VIYRGBJLFDNVII-IFFSRLJSSA-N	247.107	-0.718	50	10	BBGE	
OB(O)c1ccc(NC[C@]23CCOC[C@@H]2C3)nc1	2223653331	PWSVOHSZXQFFPP-JOYOIKCWSA-N	248.091	-0.400	50	10	BBGE	
CN(CCN)CC(=O)N[C@H]1C[C@H](Cl)C1	2241655092	ICTUIUHZSORFLX-ZKCHVHJHSA-N	219.716	-0.237	50	10	BBGE	
CCc1nsc(CNC(=O)NN)n1	2242134583	PNQXYXJIURBYKF-UHFFFAOYSA-N	201.255	-0.227	50	10	BBGE	
C[C@@H](NC(=O)c1cscc1B(O)O)C(F)F	2243346772	CMJYVMKBMHPOMJ-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243348259	WCTKXBWLONSRIL-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC=CC[C@H]2C1	2243357280	ULPVYQZCWWGSPI-AOOOYVTPSA-N	219.049	-0.574	50	10	BBGE	
CC1([C@H](CO)NC(=O)C2(B(O)O)CC2)CC1	2243363391	GBFVETXLUCSJJD-ZETCQYMHSA-N	227.069	-0.729	50	10	BBGE	
O=C(Nc1cncc(F)n1)[C@H]1C[C@@H]1B(O)O	2243392944	YIZDWSJRMXPMDA-WHFBIAKZSA-N	224.988	-0.583	50	10	BBGE	
CN(C)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243397367	ZSIVZTDYSDGTCK-KYZUINATSA-N	228.101	-0.693	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2243409248	DNTXXPLJEADGAH-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2243417828	XGIUNDLLZOCZSX-LURQLKTLSA-N	226.085	-0.894	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C)CC(C)C1)B(O)O	2243433348	LCKREGYDJCUZHF-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
CCCS(=O)(=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243752948	OTAVPFBBHJWBLG-KNVOCYPGSA-N	249.097	-0.905	50	10	BBGE	
COC[C@@H](CN1CCC(B(O)O)CC1)OC	2244171254	QZOVKHGNOYMIJD-SNVBAGLBSA-N	231.101	-0.413	50	10	BBGE	
CSCCCNC(=O)c1cocc1B(O)O	2244212939	XJNJHJJQDFTGFE-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C=CCN(Cc1cccc(B(O)O)c1)OC	2244257615	IXFYEWPODKTOHM-UHFFFAOYSA-N	221.065	-0.084	50	10	BBGE	
NC1CC(Nc2cc(B(O)O)c(Cl)cn2)C1	2245912857	IKWAZMNQYTWOQK-UHFFFAOYSA-N	241.487	-0.684	50	10	BBGE	
C[C@@]1(CO)C=CCCN1CC(F)(F)C(=O)NN	2246349960	OSWIFKKKQCIJHB-VIFPVBQESA-N	249.261	-0.376	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)cc1F	2247752404	OSGCMKNQHAHKIG-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
O=C(NCc1ccncc1F)C1(B(O)O)CC1	2247754330	FPSZLPNUUSVYQK-UHFFFAOYSA-N	238.027	-0.156	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)C1(B(O)O)CC1	2247756654	TWDJWOUHNXNZRQ-CSUKJFKESA-N	233.076	-0.380	50	10	BBGE	
Cc1ccc(C(=O)NCC2CC2)c(B(O)O)c1	2247760795	NRZWCLFRXNJLAK-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
C[C@H]1COCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791242	MBWPWTPEYZPBQU-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
Cc1nc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)co1	2247793848	ZWDOOKDSYRQMQT-BDAKNGLRSA-N	238.052	-0.495	50	10	BBGE	
C[C@@H](CCCCO)NC(=O)C1CC(B(O)O)C1	2247796676	BVJRPOPRXXUPII-IDKOKCKLSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCC1(CO)CCC1)[C@H]1C[C@H](B(O)O)C1	2247797261	HVLRICOOEMHGEB-KYZUINATSA-N	241.096	-0.482	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@H]1C[C@@H]1B(O)O	2247799611	GAMURDBJRKJEMF-CIQUZCHMSA-N	239.080	-0.657	50	10	BBGE	
CN(C)C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247800689	RNOXSFZAKVCXKF-AATLWQCWSA-N	240.112	-0.694	50	10	BBGE	
CC(C)(CCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247809879	SAMKNKDBYJDBDL-KYZUINATSA-N	243.112	-0.236	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247847594	ZHONECTYEJCWCJ-SECBINFHSA-N	234.064	-0.918	50	10	BBGE	
CN(Cc1ccccc1N)C(=O)C#CB(O)O	2247847958	FBPCHWQKPWRYFK-UHFFFAOYSA-N	232.048	-0.757	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2247898358	CTQXPHCIINTQHT-IWSVPVBZSA-N	238.096	-0.909	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898559	FOBMMFULBZJJAP-CIUDSAMLSA-N	241.096	-0.077	50	10	BBGE	
CC(C)N(CCN(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2247900496	XJUKWPUPGPZNRJ-UWVGGRQHSA-N	242.128	-0.352	50	10	BBGE	
O=C(NCCc1ccno1)[C@H]1C[C@@H](B(O)O)C1	2247910044	MKMRDTKKTDYMND-OCAPTIKFSA-N	238.052	-0.414	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(B(O)O)cc1F	2248441978	UYCDGOYPGPQGHJ-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248574587	SYUWLHMFJDBHOS-FXQIFTODSA-N	243.068	-0.535	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCC1CC1	2248968557	OIZFVJFNCLLERE-UHFFFAOYSA-N	234.064	-0.790	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C2CCC1CC2	2249415873	KAQPELVDZSYOPF-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1cc(B(O)O)co1	2249428690	FJKYBRDVSUBJHZ-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1cc(B(O)O)co1	2249438846	FHIRHRMHADMURO-ZETCQYMHSA-N	235.048	-0.511	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC[C@H]2C[C@H]21	2255493687	BUHVXMLWFCEWKJ-FXBDTBDDSA-N	248.091	-0.767	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H]2CCO2)c(B(O)O)c1	2255510626	YLXWYVKLVGQXKE-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1cc(C)cc(B(O)O)c1	2255514913	PJBJOUOQPAFVQQ-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
C=C1CC(NC(=O)c2ncc(C)cc2B(O)O)C1	2255557032	YTEHTNDLVRJNPM-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
CC#CCN(C)C(=O)c1nccc(C)c1B(O)O	2255565106	GAMQRFUEMTWGKY-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ncccc1B(O)O	2255717841	PMNYKPJDSZLXOY-SKDRFNHKSA-N	248.091	-0.320	50	10	BBGE	
O=C(NCCCc1cccnc1)[C@@H]1C[C@@H]1B(O)O	2255772048	ZUMPHOQSXTZTSX-MNOVXSKESA-N	248.091	-0.007	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3COCC[C@H]32)nc1	2298224476	IHTVEYFLOFTZJX-YWVKMMECSA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370636	FHZRNSVBCCPSLF-RBXMUDONSA-N	240.112	-0.791	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463617	OSTFZBNIYPUDNW-ULAWRXDQSA-N	241.052	-0.829	50	10	BBGE	
CCC[C@@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298463720	XJNHPXKRKOJAMP-CSMHCCOUSA-N	243.068	-0.439	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2302020072	KVVSRGFXOLOHQD-SVDPJWKOSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)C1(N)CC1	2317349958	LLNSGTUIJOYLRH-MRVPVSSYSA-N	249.075	-0.563	50	10	BBGE	
C[C@H](NC(=O)Nc1ccnc(B(O)O)c1)C1CC1	2317588205	BXWLEDUFRMYRFV-ZETCQYMHSA-N	249.079	-0.319	50	10	BBGE	
CC(=O)N(C=C(C#N)C(=O)NC(C)C)CCN	2324518373	ZQJHXRAXSKKMIW-UHFFFAOYSA-N	238.291	-0.274	50	10	BBGE	
NC(=O)N/N=C1/CCCS(=O)(=O)C1	69630410	RBQZUSODBAGKHX-YVMONPNESA-N	205.239	-0.781	50	10	BBGE	
COC[C@H](C)OCc1cc(C(=O)NN)no1	69758199	PJCFMYZBLAITPK-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
CN(C)C(=O)CNC(=O)CBr	82506327	CZHJHUYRHXPIST-UHFFFAOYSA-N	223.070	-0.414	50	10	BBGE	
Cc1ncsc1CN(C)CC(=O)NN	82634524	QPTQSDCXKLTWCW-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
C[C@@H](Sc1ncnn1C)[C@H](C)C(=O)NN	128062848	FGJPBVQQINDQMN-NTSWFWBYSA-N	229.309	-0.078	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1[nH]c(=O)ccc1=O	132853296	QPZSJZSPHWPASG-SCSAIBSYSA-N	218.596	-0.771	50	10	BBGE	
C[S@](=O)CCNC(=O)CBr	135299161	UYEASUKCKJLWKC-SNVBAGLBSA-N	228.111	-0.124	50	10	BBGE	
CC(=O)COc1ccc(Cl)cc1B(O)O	199401560	VVNXHBUASMRBLI-UHFFFAOYSA-N	228.440	-0.012	50	10	BBGE	
O=S(=O)(CCCl)NCCc1ncno1	231843263	LNZASRHBYQZHFW-UHFFFAOYSA-N	239.684	-0.230	50	10	BBGE	
CCC(CO)(CO)NS(=O)(=O)CCCl	233048691	PXAJSEMAGRTRKO-UHFFFAOYSA-N	245.728	-0.722	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@@H](OC)C1	233895406	HPIMPTLGSMYMFE-VGMNWLOBSA-N	231.296	-0.900	50	10	BBGE	
O[C@@H]1CO[C@@H]2[C@H](Br)CO[C@@H]21	255968260	CYDSHUXBYGPGJA-KVTDHHQDSA-N	209.039	-0.092	50	10	BBGE	
CCS(=O)(=O)CC1=NS(=O)(=O)C(C#N)=C1	260226753	RICJNQPYULSCMY-UHFFFAOYSA-N	248.285	-0.387	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC(=O)OCC	274368963	CXHKOGKWOJKNES-UHFFFAOYSA-N	231.252	-0.368	50	10	BBGE	
COC(=O)[C@@H]1ON[C@H](C)[C@H](O)[C@H]1Cl	306172646	AGDBPIAWOSUAEW-ARQDHWQXSA-N	209.629	-0.580	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)CCl)C1=O	306203336	MIZUUSIVXRLYES-ZCFIWIBFSA-N	204.657	-0.086	50	10	BBGE	
O=C1NCCN2[C@@H](Br)CN[C@H]12	307226653	VVWCCHGFURZHRO-UHNVWZDZSA-N	220.070	-0.932	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](CO)CC1	378814279	AXXJYURTZJLMAG-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CN(C)NC(=O)NCC(F)(F)C(=O)O	379667568	YRCUNEUFIGQBLA-UHFFFAOYSA-N	211.168	-0.518	50	10	BBGE	
CC(=O)NNC(=O)CNCc1ccccn1	381523987	VUUCRENIJYXPNL-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
CN(C)C1CN(Cc2ncccc2C(=O)NN)C1	394454451	NIRXWOMRFDIFKP-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
COC(=O)CCc1cc(F)ccc1B(O)O	396039935	KNHWMEAGFXGDLI-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
C[C@@H]1COCCN([C@H](C)[C@H](C)C(=O)NN)C1	399638674	GDCOTFJGGHTFBH-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C[C@@H](C)C1)C(=O)NN	401696987	KMCXRKQTSQSJAB-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
COCC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405010652	PREHKGFUIRRNAV-QMMMGPOBSA-N	237.064	-0.810	50	10	BBGE	
CN1CC(=O)N(C[C@@H](Cl)C#N)C(=O)C1	606283923	AROFKUQQYVQICX-LURJTMIESA-N	215.640	-0.582	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687259053	CXBHBJRULWHXMF-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H](C)C(=O)NN	692162266	YVWFBAZMMUKKON-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H](CO)C1	696779413	RDYHZBVGHSADOH-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
Cn1nnnc1CN1CCC(O)(C#N)CC1	697629635	AIOOGUFNJLPSOO-UHFFFAOYSA-N	222.252	-0.939	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702300288	JWMDYQUOXHRAJZ-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1cnccn1	703426475	YDKFNZJUPQAOPR-RKDXNWHRSA-N	233.227	-0.107	50	10	BBGE	
C#C[C@]1(O)CCN(S(=O)(=O)CCCl)C1	708105202	WLWGRNNPEYPROP-QMMMGPOBSA-N	237.708	-0.375	50	10	BBGE	
CN(CCO)C1=C(C#N)[C@H](O)[N]S1	725576260	MPDROJYPIAIHOP-LURJTMIESA-N	200.243	-0.770	50	10	BBGE	
CCOCCOCC(=O)NNc1cccnn1	736694861	IFGXNUJIWXNALU-UHFFFAOYSA-N	240.263	-0.027	50	10	BBGE	
C[C@H](Br)C(=O)N1CC[C@@H]1C(N)=O	757140833	CQHMQUGZXUHJJZ-CRCLSJGQSA-N	235.081	-0.144	50	10	BBGE	
CC(=O)NNC(=O)Nc1cn(C)c(=O)cc1C	765198224	ATWFFDVFGPKJKM-UHFFFAOYSA-N	238.247	-0.134	50	10	BBGE	
Cc1cc(C=NNC(=O)CN(C)C)on1	857208048	QASOPSDHIXJIOG-UHFFFAOYSA-N	210.237	-0.005	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2cn[nH]c2)CC1	862470025	XNNKYGZPFPJLEI-UHFFFAOYSA-N	233.231	-0.135	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1C[C@H](C(N)=O)C1	862817835	ARHJBVZHFCWRHB-PZRAHVOLSA-N	237.259	-0.190	50	10	BBGE	
COC(=O)N(C)NC(=O)/C=C\Cn1cncn1	908114794	LXUMNAQEDCZKNR-ARJAWSKDSA-N	239.235	-0.436	50	10	BBGE	
O=C(CN1CC[C@H]1C(F)F)NNC(=O)C1CC1	931424156	AFJZVVLBJDSJPP-ZETCQYMHSA-N	247.245	-0.117	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCC1(O)CCC1	1138284428	OLAAQOVRVJXLGQ-UHFFFAOYSA-N	244.291	-0.400	50	10	BBGE	
COc1ccc(C(=O)NNC(=O)CO)cc1C	1161080138	ALNZMEPSUHRTNG-UHFFFAOYSA-N	238.243	-0.243	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC[C@H]1C[C@H]1C	1318943208	UQICVVZMTXKXDQ-PHDIDXHHSA-N	229.236	-0.854	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)C#CC1CC1	1616379474	WRUGMCNDIBDGHU-UHFFFAOYSA-N	232.243	-0.107	50	10	BBGE	
C#CCC[C@@H](O)CNCc1ccc(B(O)O)cc1	1621504052	RKURVCIFXARCRP-CYBMUJFWSA-N	247.103	-0.770	50	10	BBGE	
C[C@H](O)[C@H]1CCN1S(=O)(=O)CCl	1880868136	FLNFSSLSBOVAGP-NTSWFWBYSA-N	213.686	-0.032	50	10	BBGE	
COC(=O)[C@H](O)CNC1CC(Cl)C1	1881718439	GLXDTQZRSLZGOD-KPGICGJXSA-N	207.657	-0.120	50	10	BBGE	
CSSCCNC(=O)[C@@H](O)CCN	1882593550	AFDLNPBEAAVDCP-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@H]1C[C@@H]1Cl	1883645139	MBZKICOEGHAMLO-WDSKDSINSA-N	204.657	-0.182	50	10	BBGE	
CCN(CC)[C@@H](C)COCC(=O)NN	1884726185	OVOBMSLXJFQGHY-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCCC(=O)NN)C1	1886160111	UOCJLKIOQVGTCX-ZKCHVHJHSA-N	201.270	-0.524	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H]1Cl	1893470214	QKEPPSXUPQDPKW-XAMCCFCMSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccccc1B(O)O	1899969398	ZXMFDCWPIHXUNO-MRVPVSSYSA-N	219.049	-0.399	50	10	BBGE	
COC(=O)Nc1cc(F)c(B(O)O)c(F)c1	1902002211	WKFKDWXVCXOBTK-UHFFFAOYSA-N	230.963	-0.177	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@@H](F)C2)n1	1902640543	FMSFVCGZJMWNDI-SSDOTTSWSA-N	244.100	-0.243	50	10	BBGE	
C=C(F)CN(C)c1cc(B(O)O)c(F)cn1	1903010075	LPZGDIBEZFKJCX-UHFFFAOYSA-N	228.007	-0.180	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1905583298	HXXQCRSRSMEARE-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCN2CCCC(=O)NN)C1	1906983356	SUKLKVIHHKGCEW-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCCCN1CC=C[C@H]1CO	1909055786	LAJSGTPBFPZCPW-VIFPVBQESA-N	213.281	-0.621	50	10	BBGE	
COC1CC(N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1914825189	QTLBELKYVPERJM-WOOKNIGNSA-N	227.308	-0.278	50	10	BBGE	
C[C@]1(CCl)CN(C2CN(C(N)=O)C2)C1=O	1917759233	NKLQYKRZDHAYBY-VIFPVBQESA-N	231.683	-0.163	50	10	BBGE	
CO[C@@H](C)CNC(=O)NNC(=O)C(F)(F)F	1923410915	GEJQKWYORVJIPG-BYPYZUCNSA-N	243.185	-0.086	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H]1[C@@H](O)CO	1928570535	WSPMWCNNAWOCDD-CIUDSAMLSA-N	234.683	-0.829	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(N)=O)S1	1931580810	JIRABTREPSQCTR-RFZPGFLSSA-N	203.267	-0.030	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC=CCO1	1931605560	YKYZEHGMMPXNHT-RXMQYKEDSA-N	201.251	-0.804	50	10	BBGE	
CN(C)C[C@H](CO)N1C[C@@](C)(CCl)C1=O	1931734984	LRHUFZPWQMQDQW-PSASIEDQSA-N	234.727	-0.004	50	10	BBGE	
CC(C)CN(CCO)CCCC(=O)NN	1933486833	BPTHJZJWZNJWAG-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)cn1	1936084902	UVWITMWBRUPABS-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](O)CC1	1936090798	JNYDWSYVYWJTQR-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H](C)CO1	1936095417	XANDFXGSQRHNSO-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@]3(CO)C2)CC1	1938233960	UBIPQEVWBBNJEU-LDYMZIIASA-N	225.292	-0.929	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H]1COC[C@H]1Cl	1939166042	GMWLMVCCLUHNAB-RNFRBKRXSA-N	245.670	-0.957	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCC[C@@H]1O	1941772513	KFXDYKCVBYUUQE-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(OC(=O)NC)C1	1943064450	ZJNCQVQXCVBKBA-MRVPVSSYSA-N	244.295	-0.815	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCC2)CC[C@H]1CO	1946679205	UMPOKHJJUGCKIN-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277597	QRNLXBSAORKTEJ-SAVGLBRCSA-N	239.319	-0.400	50	10	BBGE	
C[C@H](O)[C@@H]1CN(C[C@@H](O)CCl)CCO1	1957189178	VLGZYSLVIUBIHH-CIUDSAMLSA-N	223.700	-0.332	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)CCC(=O)NN)C1	1957583896	LVRGBALCEHLKAN-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1CNC(=O)C(=O)NN	1960024288	PCFWYYPBOKUMPY-WHFBIAKZSA-N	221.207	-0.616	50	10	BBGE	
O=C(NCC#CCCl)[C@H]1CCS(=O)(=O)C1	1974769910	CBVVNYWWNVDXKJ-QMMMGPOBSA-N	249.719	-0.221	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)[C@@H](C)C(=O)NN	1974928141	ZRUSADHWDDOUGB-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1C[C@@H]2O	1981216064	FPRWZDLGZBPUBN-CIQUZCHMSA-N	227.308	-0.544	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1CCOCC(=O)NN	1981240122	QJCFETBIVFITQJ-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C=C1CON(c2ncc(B(O)O)cc2F)C1	1981469674	WQTPJJWZWUZXNX-UHFFFAOYSA-N	224.000	-0.792	50	10	BBGE	
C[C@H]1CC[C@H](Cn2ccc(B(O)O)n2)OC1	1981581909	JMWXZYYJQQJTLH-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1	1982230186	JUPIGDBBISLXGU-ZOZBQHSOSA-N	244.722	-0.084	50	10	BBGE	
CCN(CCO)C[C@@H]1CC[C@@H](C(=O)NN)C1	1985358081	WGPUMBCSSAYHCG-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@H]2COC[C@H]21	1991655643	YGUXPDQVLPWJHV-JGVFFNPUSA-N	244.678	-0.493	50	10	BBGE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)NCC#CB(O)O	1992138185	DZPCDNRMPLALEY-BDAKNGLRSA-N	245.109	-0.890	50	10	BBGE	
C[C@@H]1CCCN(C(=O)NCC#CB(O)O)C1	1992142540	IHKKSYUQRRFCJF-SECBINFHSA-N	224.069	-0.557	50	10	BBGE	
CC1(C)C[C@@H](CCn2ccc(B(O)O)n2)CO1	1997128516	VBNSDICIHTULDV-SECBINFHSA-N	238.096	-0.232	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@@H](C(=O)NN)C(C)C)C1	2000967011	KQKJJKQHMPZYDB-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
CC[C@@H]1CN2CCC[C@@H]2CN1[C@H](C)C(=O)NN	2004368547	DVUPFBQEBVNFQT-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](c2ccnn2C)C1	2004399409	PKULGOYMHLTRBJ-BDAKNGLRSA-N	237.307	-0.412	50	10	BBGE	
CN(Cc1cnn(C)n1)CC1(C(=O)NN)CC1	2004804929	UKFZRXKXPKLQBF-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
CON(c1nccc(C)c1B(O)O)C1CCC1	2004921583	XQBZAMZXVADAEG-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
CC1(C)[C@@H]2CN(c3ncccc3B(O)O)C[C@H]21	2004935877	RCRBCPRXJYDQLK-RKDXNWHRSA-N	232.092	-0.146	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006196636	BELWGYRHFOEIKN-VLEAKVRGSA-N	241.335	-0.175	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1CC2(COC2)C1	2011119024	ADAHESGJGSLKSH-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
C[C@H]1C[C@H]1CCCOc1ncncc1B(O)O	2011656987	NHVRXVPKPXKXQP-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1OCCOC1(C)C	2013867179	ZZPBSINEAVURKR-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2021105286	QGNKOHJYUZHZEQ-ZKKRXERASA-N	233.076	-0.590	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]1C1CCCC1	2022429172	RFWUKPDJPIBIMY-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCc2nnc(O)cc21	2025568245	OANNTSGUBZRWSK-LURJTMIESA-N	237.263	-0.687	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1C[C@H]2C[C@@H]2C1	2040767080	MTXKAHRMIRVQHA-HTQZYQBOSA-N	247.063	-0.755	50	10	BBGE	
C[C@H]1CCN1c1ccnc2cc(B(O)O)cnc12	2052623554	KXYNDFRUBSWQOY-QMMMGPOBSA-N	243.075	-0.092	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(F)c1B(O)O	2060091775	IYIYKTFLIZERCT-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCc1c(C#N)ccc(B(O)O)c1C=O	2060238973	VPRAMPPDGKFQAX-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
C#CCN(CCF)C(=O)c1ccccc1B(O)O	2079008589	LFXCYBAXLFFGOG-UHFFFAOYSA-N	249.050	-0.589	50	10	BBGE	
O=C(CCl)NCCS(=O)(=O)C(F)F	2209099297	NZABOQJTJPEGIA-UHFFFAOYSA-N	235.639	-0.021	50	10	BBGE	
CCN(Cc1nscc1B(O)O)OC	2209704059	ZAVJEQQFEDVOPV-UHFFFAOYSA-N	216.071	-0.794	50	10	BBGE	
C[C@H]1CCC[C@H](Cn2ccc(B(O)O)n2)O1	2210952246	FABRDZMFNUYYMC-DTWKUNHWSA-N	224.069	-0.480	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)C(=O)O1	2212250407	LVIIDUUDZDCHBV-SSDOTTSWSA-N	227.264	-0.013	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cn2)CC(N)C1	2212606770	ZVWPJVPEFUGUKW-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2215002234	XWXOFBIVHKTHDF-XPUUQOCRSA-N	235.052	-0.859	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCNC1	2217172995	NUZJZVTWYYTEPK-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(OCC(C)(C)CN)cc1B(O)O	2217185497	YFHPTWAUNSOKND-UHFFFAOYSA-N	238.096	-0.566	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217197103	KJELASQUFLLRPK-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
CC1(C)CN[C@H]1CNc1ncccc1B(O)O	2217199229	KWDBUTIMVLNULE-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@@H]2CC23CC3)c1	2217200798	LZGUTRYQTGGQRU-SECBINFHSA-N	232.092	-0.215	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1c1ccc(B(O)O)cn1	2217202499	KEXYHOXGUCTEAE-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(NCC2(O)CCCC2)c1	2217204874	QCNKRRWRVATRKJ-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)C[C@H]1CN	2223636829	BFXOKIVFDFSYPU-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
CC(C)n1ccc(=Nc2ncc(B(O)O)cn2)[nH]1	2223653697	UHCRJWWTOORBSB-UHFFFAOYSA-N	247.067	-0.901	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCCCCN2)nc1	2223670494	YVVZFYJJECYUAP-NSHDSACASA-N	249.123	-0.295	50	10	BBGE	
CN1CC2CC1(CNc1ccc(B(O)O)cn1)C2	2223672864	COETWQXLMGEYRZ-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1coc(B(O)O)c1	2243349154	GYDWKJXBVGZEMX-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)s2)C1	2243350340	ZPEWJZUGYBNELN-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)C1(B(O)O)CC1	2243358340	FSDKJCWLDCNUFY-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ccoc1B(O)O	2243363007	ZSGHXCFQILJKRZ-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCOC1	2243363456	GXWPRXOVTCPLFR-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)sn2)CC1	2243377825	HPCYJTUKAOXIKZ-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243391424	KKYJTXCQFCEXMM-XSPKLOCKSA-N	226.085	-0.765	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)C1(B(O)O)CC1	2243399107	WRALDAXBOFMCRB-YQXWHEHVSA-N	221.065	-0.236	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2243401441	RDUMDLUGPCUEDW-GJVVYLMISA-N	222.053	-0.921	50	10	BBGE	
CC(C)[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243411362	RXLYLAZPAICHGL-LURJTMIESA-N	229.041	-0.781	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@]1(C)CC)B(O)O	2243413114	ZTLVRFKSPQMIOP-RKDXNWHRSA-N	247.125	-0.337	50	10	BBGE	
NC[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418072	ZWTFAYPBRZEDIO-LURQLKTLSA-N	226.085	-0.907	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2243419594	CAZWCLMZFOTCEN-JBDRJPRFSA-N	227.069	-0.467	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)co1	2244213635	HYANKQQORFARQJ-QMSLJYSESA-N	221.021	-0.902	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2244213664	IDPNVKVWOQGGCN-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)OC1	2247751525	YQDXAUTUVRGTSO-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCN[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786826	GZXKISPCURBJQE-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCCO[C@@H]1CC1(F)F)[C@H]1C[C@H]1B(O)O	2247798577	VOSOWFMXDWPOBE-RRKCRQDMSA-N	249.022	-0.610	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CCO1	2247808875	MXLSTJOYIDBHBB-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247852425	UKYSDPDWRSMXEN-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
O=C(N1CCc2c[nH]nc2C1)C1(B(O)O)CC1	2247853701	QEIOASVVATZJFB-UHFFFAOYSA-N	235.052	-0.699	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccoc2B(O)O)C1	2247866620	PDTUKFLEXWMCQC-OCAPTIKFSA-N	233.032	-0.899	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2247874331	LGGSXAAMWIGODI-RDDDGLTNSA-N	235.048	-0.559	50	10	BBGE	
CN(Cc1cnccn1)C(=O)C1(B(O)O)CC1	2247879295	SEHCVZJIKUGWBI-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COCC[C@@H]21	2247898077	AEEXXYKWBBKPQI-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
CCC[C@@H](CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900715	ZBNVLPYJYUBNBN-GUBZILKMSA-N	243.112	-0.093	50	10	BBGE	
C[C@]1(CO)C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247903747	MHIMHJNHTKEVJR-WCABBAIRSA-N	239.080	-0.611	50	10	BBGE	
COC[C@@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2247909033	DMZZSJVEQJKDKE-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248586036	UTSZILHWAULOMK-BWZBUEFSSA-N	243.068	-0.582	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2coc(B(O)O)c2)C1	2255450084	TVIADQQEOULEFZ-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1ccncn1	2255456846	UIDNDATYMLVLHL-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1Cc2ccccc2C1	2255476547	MNFHRXSJXCXFOM-UHFFFAOYSA-N	243.071	-0.372	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)cn1C1CC1	2255506032	OBTLPEGUUFQJQL-GMSGAONNSA-N	248.091	-0.359	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@@H]3C[C@@H]32)c1B(O)O	2255512792	FZSBIODGTIXQIF-KOLCDFICSA-N	245.087	-0.091	50	10	BBGE	
C[C@@]1(NC(=O)c2c[nH]nc2B(O)O)CC=CCC1	2255551200	UPHANNHCTLJVIH-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@H]3C[C@H]32)c1B(O)O	2255573940	UHTGOVRQBZFTQS-DTWKUNHWSA-N	246.075	-0.696	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255670905	JYJJUKGUBSTGKR-WPRPVWTQSA-N	248.091	-0.530	50	10	BBGE	
C=C1CON(C(=O)c2ccc(B(O)O)cc2C)C1	2255681992	ABJCLWATMFBAQO-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2255718741	AFEMDBMCYULZTB-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(Nc1cccc(F)c1)c1cc(B(O)O)n[nH]1	2255763764	QHWHXAOLNCHWPE-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1nccc(C)c1B(O)O	2255786240	QMJDWSLLENTJOQ-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1O	2255936447	KAQJZCHXRMCNRQ-QMMMGPOBSA-N	249.075	-0.304	50	10	BBGE	
C[C@H](O)CC(=O)N1CCc2c(B(O)O)cccc21	2256676968	SWSBHQNHVHEAEU-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2NCC[C@@H]2C1	2298369216	MTCXIMDYIDFDFL-RGOKHQFPSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCO[C@@H]2C1	2298375212	ADAXXWYANJSKSC-XFWSIPNHSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H]1C[C@@H]1B(O)O	2298377455	RTHWQQORZAKWPR-MBXMOIHESA-N	238.096	-0.894	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2299282865	ISYUDZKORIIVDV-KVPKETBZSA-N	241.052	-0.924	50	10	BBGE	
COC[C@@H](OC)C(=O)N1CC[C@](C)(B(O)O)C1	2303108827	LDXAYNHHLXADAO-SCZZXKLOSA-N	245.084	-0.887	50	10	BBGE	
OC[C@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303837359	ZGFGUMGSTGQSKM-VIFPVBQESA-N	240.043	-0.917	50	10	BBGE	
C[C@]1(Nc2ccc(C=O)c(B(O)O)c2)CCOC1	2317352154	URPASTCADASCIS-LBPRGKRZSA-N	249.075	-0.230	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN(C)CCO	2324515593	BCJVACBAIYPZLH-UHFFFAOYSA-N	211.265	-0.157	50	10	BBGE	
OB(O)c1cnn(Cc2ncc3ccccn23)c1	2327648669	WUWISNZOHQNGMU-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
COc1ccccc1CNC(=O)C(=O)NN	36948022	JKKHBUSIXKRYFQ-UHFFFAOYSA-N	223.232	-0.699	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC(=O)N(C)C	82467368	JKNYZBSNPQWUDO-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
NNC(=O)CCCCN1CCC(=O)CC1	82469037	YAOCXLQTFSEDAR-UHFFFAOYSA-N	213.281	-0.189	50	10	BBGE	
Cc1cccnc1C(=O)NNC(N)=S	83590975	GTOYPUITLBFBFO-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
CC(C)(Cn1ccc(=O)cc1)C(=O)NN	86598166	BOCQDLYMXQXKQO-UHFFFAOYSA-N	209.249	-0.136	50	10	BBGE	
COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NN	110920141	MLQREASODZTVDZ-UHFFFAOYSA-N	249.226	-0.786	50	10	BBGE	
C[Si](C)(C)CCOCn1ccc(B(O)O)n1	204327103	GTYIWJFKRSTSPG-UHFFFAOYSA-N	242.160	-0.125	50	10	BBGE	
CCCC[C@]1(N)CCN([C@H](C)B(O)O)C1=O	210982423	OGCQNEGJCPFOIS-SCZZXKLOSA-N	228.101	-0.493	50	10	BBGE	
NNC(=O)C[C@H]1CCCCS(=O)(=O)C1	215804912	BDHGSSRKKZLDOA-SSDOTTSWSA-N	220.294	-0.419	50	10	BBGE	
CO[C@H](C)COc1cc(B(O)O)ccc1F	229336127	VLTQIRYGQSJTNS-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
Cc1cnc(CN2CC(=O)OC(=O)C2)o1	231676882	YNVAKTYDKPTOIL-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
CCN(CC)c1cc(B(O)O)c(F)cn1	238262089	DUEZSOIRPPSOAM-UHFFFAOYSA-N	212.033	-0.253	50	10	BBGE	
C[C@H](N)CSS(=O)(=O)C[C@H](C)N	238424005	PJSOLYYNDXWCQT-WDSKDSINSA-N	212.340	-0.256	50	10	BBGE	
N#CCCCc1ccc2c(c1B(O)O)OCO2	260313117	NKPJBKNJGBGWGD-UHFFFAOYSA-N	233.032	-0.059	50	10	BBGE	
CC(C)NC(=O)CSC[C@H](C)C(=O)NN	300870448	QOOIBLSFHDCSLS-ZETCQYMHSA-N	233.337	-0.130	50	10	BBGE	
O=C(NCCCl)N[C@H]1CCOC1=O	306288653	NAMYIHIPVXNXTE-YFKPBYRVSA-N	206.629	-0.160	50	10	BBGE	
C[C@H](CCl)C(=O)NC1CS(=O)(=O)C1	306667799	VURNUJOJSZESHT-RXMQYKEDSA-N	225.697	-0.226	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)cc(O)n1	307642819	NCLKJAOVBSHOFN-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCOCCOC	309186787	AEUFORPUWRQUGL-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CC(=O)N(C)C1	309488551	XQVYRGGQZGHSAM-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)C[C@H]1O	316122245	LRJIQTTUOSEPFV-RKDXNWHRSA-N	223.700	-0.473	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)[nH]c(=N)n2C	380476376	MVGQACJISKPYQN-UHFFFAOYSA-N	219.248	-0.150	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC[C@](O)(C(N)=O)C1	380591673	SHAHVWAGOAVZLU-SNVBAGLBSA-N	248.710	-0.300	50	10	BBGE	
NNC(=O)[C@@H](CN1CC(O)C1)c1ccccc1	384183514	WXDDLFDZAGBFAP-NSHDSACASA-N	235.287	-0.563	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N(CCO)CCCO	385756061	QRHXWLQELNKNRE-VIFPVBQESA-N	247.339	-0.932	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C(=O)OC)CC1	387195085	NEXKDYJUCSSHEQ-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1F	396041423	OVLFTOCSONXGLP-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(CO)ccc1B(O)O	396063395	WHHIEMFWVGSXHA-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@H](C)CCC(=O)NN	399432672	SDKQOKSHJBHNQS-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1COCCN(CCCC(=O)NN)C1	399671838	NXBXQNOBEQHTPX-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)CCC(=O)NN)CO1	401590081	WBSTYGZRJUOGHP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)OC	495326293	IWNMGLGYRZALQM-UHFFFAOYSA-N	217.225	-0.710	50	10	BBGE	
CCN(CCN(C)C)[C@H](C)[C@@H](C)C(=O)NN	688910679	JFSNMFZWRPHLEC-NXEZZACHSA-N	230.356	-0.116	50	10	BBGE	
Cc1nn(CCCCCC(=O)NN)c(=O)n1C	691693769	NMGXIXOGOGVOMR-UHFFFAOYSA-N	241.295	-0.559	50	10	BBGE	
CCN(CC1CN(C)C1)[C@H](C(=O)NN)C(C)C	692729578	ZSCDKRYGQHUDKD-NSHDSACASA-N	242.367	-0.116	50	10	BBGE	
CN(CC(=O)NN)Cc1ccsn1	705769954	XSRBMDLFYDAEFQ-UHFFFAOYSA-N	200.267	-0.435	50	10	BBGE	
C=CCOCOc1cc(B(O)O)ccc1OC	707433135	FHFLZYAQLWQLHS-UHFFFAOYSA-N	238.048	-0.086	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CN(C)CCO1	709402266	DKMHWTUJVXAIOB-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)CCCl	718216856	GYSLIUVALHQVKS-LURJTMIESA-N	211.670	-0.861	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)C[C@@H](C)CCl	718218358	OPHUTMGMOFQGRX-JGVFFNPUSA-N	239.724	-0.225	50	10	BBGE	
C[C@H](Cl)CN[S@+]([O])(=O)c1c[n+](C)n[nH]1	725702988	VDZKVIVRNWREEZ-UWORMDEDSA-O	239.708	-0.430	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21)NC1CC1	780907118	GFUPKUDXUZPZEM-DJLDLDEBSA-N	239.275	-0.096	50	10	BBGE	
CC[C@H](C(=O)NNC(=O)N(C)C)C(=O)OC	790533489	BHHCSXMBJYGIIB-ZCFIWIBFSA-N	231.252	-0.512	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)NC(C)C	824403939	HIVNKRRVWCRCFO-ZCFIWIBFSA-N	201.226	-0.728	50	10	BBGE	
CC(C)OC[C@H](N)C(=O)NNc1ncccn1	852788128	YODGYQVKOBKLLS-QMMMGPOBSA-N	239.279	-0.328	50	10	BBGE	
O=S(=O)(CCl)NC[C@H](O)[C@H]1CCCO1	859287601	NNXXETHLGRROFA-NKWVEPMBSA-N	243.712	-0.358	50	10	BBGE	
N[C@H]1CON(CCCBr)C1=O	958715734	PARXHWIGJRHGKE-YFKPBYRVSA-N	223.070	-0.128	50	10	BBGE	
C=C[C@H](C)ONC(=O)NNC(=O)c1cn[nH]c1	1230572690	XBNCUZXRULVSOR-LURJTMIESA-N	239.235	-0.140	50	10	BBGE	
O=C(CNS(=O)(=O)CCl)NC1CCC1	1260937975	QOCBWMLPHIIDCO-UHFFFAOYSA-N	240.712	-0.229	50	10	BBGE	
Cc1cc(=NNC(=O)C2(O)COC2)cc[nH]1	1453854456	FSWLLVUEFJCUCR-UHFFFAOYSA-N	223.232	-0.984	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)C(N)=O)n[nH]1	1466167855	NTTOXEJZVRIZGZ-UHFFFAOYSA-N	225.252	-0.308	50	10	BBGE	
O=C1CC(CCn2cnnn2)CC(=O)O1	1535666622	UQVIMWKNQHABQZ-UHFFFAOYSA-N	210.193	-0.457	50	10	BBGE	
Cc1nnc(NNC(=O)c2ncccc2N)n1C	1585326775	XESHXWNVEYOSNV-UHFFFAOYSA-N	247.262	-0.142	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1882366912	SSZFYHQZQVTSDT-KVSKUHBBSA-N	225.697	-0.317	50	10	BBGE	
CN1[C@H](CNC(=O)F)CCS1(=O)=O	1882783305	CNPZHDAPLUDXCJ-YFKPBYRVSA-N	210.230	-0.301	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1883633784	CGXYTUAZBVYIME-DSYKOEDSSA-N	207.657	-0.263	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@H](O)[C@H]1CF	1884172970	QBVLHBSECGXLSW-JCGDXUMPSA-N	211.620	-0.873	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)C[C@H](CCO)O1	1885271825	PHSTWCDREJOGCI-RQJHMYQMSA-N	203.242	-0.959	50	10	BBGE	
CCS(=O)(=O)N1CC[C@](C)(B(O)O)C1	1891516048	DBKVLMBWSAMOPR-ZETCQYMHSA-N	221.087	-0.725	50	10	BBGE	
Cn1c([C@@H]2C[C@@H]2Cl)nnc1S(N)(=O)=O	1893471205	ZUIZOAHSJXYDDW-DMTCNVIQSA-N	236.684	-0.443	50	10	BBGE	
N[C@@H](CCO)C(=O)NCC1CC(Cl)C1	1893509831	QWTKFDYPLIOWIF-RRQHEKLDSA-N	220.700	-0.170	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CO)CCC[C@@H]12	1894665442	OYSZUYLXRHUILF-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CCO[C@@H]2C(N)=O)C1=O	1895210570	FATAEGPKVNMUSQ-FWWHASMVSA-N	246.694	-0.284	50	10	BBGE	
CC1(O)CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1895940956	JOHYTJPSGNDELM-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1CCN1c1ccc(C=O)c(B(O)O)c1	1901249104	PSIDYXLJGIIHCF-QMMMGPOBSA-N	219.049	-0.223	50	10	BBGE	
O=C(NCC1(CO)CNC1)[C@@H]1C[C@@H]1Cl	1901392871	CKCQVKFTWUUBGL-RQJHMYQMSA-N	218.684	-0.688	50	10	BBGE	
O=C1NCCCC[C@H]1N1CC[C@H](B(O)O)C1	1902506953	YYMVCQIUQLTMDR-DTWKUNHWSA-N	226.085	-0.796	50	10	BBGE	
CC(C)OCC(=O)N1CC[C@@](C)(B(O)O)C1	1902514894	YZCAOFALMIBDKX-SNVBAGLBSA-N	229.085	-0.123	50	10	BBGE	
OB(O)c1csc(CN2C[C@H](F)[C@H](F)C2)n1	1902639487	QUNUTELFONNWNO-OLQVQODUSA-N	248.063	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](C(F)F)CC1=O	1907367876	IUYARQZYLPKQGK-LYFYHCNISA-N	247.245	-0.274	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCCCO2)O1	1908718044	CERUNANPBUJCPA-ZJUUUORDSA-N	243.307	-0.059	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CC[C@@H](C)O1	1910029163	AMIIGLLOGNUPEB-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)C=Cc1ccc(C(N)=O)cc1	1911745928	BOMYWCJCXXZQIK-UHFFFAOYSA-N	205.217	-0.211	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@H]1CCNC1=O	1916202999	UIWRKQVOKWKQRI-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
O=C(CCl)N(CCCO)CCCO	1922172364	PNNDFOATUMBJTP-UHFFFAOYSA-N	209.673	-0.181	50	10	BBGE	
CC1(C)C[C@H](O)CN(CC(=O)NN)C1	1923156814	ZWYCKNZQIVJOPP-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
COC[C@@H](O[C@]1(C)CCOC1)C(=O)NN	1928533651	HFLUEARGERYNFY-VXNVDRBHSA-N	218.253	-0.813	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)[C@H](C)CCO1	1929668124	MELIEFJMYRFDMT-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
C[C@@H]1COCCN1CC1(C(=O)NN)CC1	1931260465	NNWYYAJLAQPYRG-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2COC[C@@H]2O)C1=O	1931728993	AIHGZGXKWOGIFT-FJXKBIBVSA-N	219.668	-0.167	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@@H](C)CCl	1932514375	YCTNGUCNTOZSSA-NTSWFWBYSA-N	242.728	-0.346	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)CC(C)C	1933489179	ZUBOSUKJJUKQHF-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC[C@@H]2C[C@H]12	1934311925	OJACLTUEKHSZTD-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2CC[C@H](C1)O2	1936086396	VAYUTDUWQZXLOU-IMSYWVGJSA-N	225.292	-0.524	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1936093866	IGKHFMLRKFMSGB-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSc1nccc(O)n1	1936095541	YDKOTUSTJYFVJH-PHDIDXHHSA-N	240.288	-0.100	50	10	BBGE	
CC[C@@H]1COCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936095685	ZWHWYPGWJLSJGH-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@@H]2C1=O)C(=O)NN	1940090678	AIUVQSTUMYFFSG-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CN(C(=O)C(=O)NN)C1Cc2ccccc2C1	1940662944	WOKBVRVENIJVHJ-UHFFFAOYSA-N	233.271	-0.398	50	10	BBGE	
COCC(COC)N(C)C[C@@H]1C[C@H]1C(=O)NN	1941085247	LJHFSZBKXWOHFU-WCBMZHEXSA-N	245.323	-0.794	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2nc(C)cc2C1	1942326741	XEQKAAFHVHGMDP-JTQLQIEISA-N	237.307	-0.224	50	10	BBGE	
CO[C@@H](CN1CC(=O)OC(=O)C1)[C@H]1CCOC1	1945090504	AVYHKYDNLRYWBC-IUCAKERBSA-N	243.259	-0.577	50	10	BBGE	
NC(=O)[C@@H](C1CC1)N1[C@H]2CC[C@H]1C(=O)OC2=O	1947318501	KACXBZXZCNRTPX-BIIVOSGPSA-N	238.243	-0.833	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@@H]1CN(C)C	1947728660	UYZYPXSOZHTEDX-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CCn1cncc1CN1CC[C@@H](B(O)O)C1	1951320650	OVGCGKRHQZTGQQ-SECBINFHSA-N	223.085	-0.048	50	10	BBGE	
CS(=O)(=O)c1ncc(C=CC=O)c(O)n1	1951553027	ORVFNYOJCOKYAP-UHFFFAOYSA-N	228.229	-0.202	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@@H]2COC[C@H]21	1955232549	FPFXOBYQLSQFKO-PRJMDXOYSA-N	219.668	-0.167	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]12CCSC2	1958163707	AQOJIDVSPOPGPD-SECBINFHSA-N	229.305	-0.526	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@H]1C[C@H]1C(=O)NN	1960618511	ORGPQRSSQFDUMB-PDDYSYKVSA-N	234.325	-0.813	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CCO[C@H]2C1	1961584322	MLAQURGIZWUSNS-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]2C(F)F)n1	1961717696	FAJPULOMWUJXJL-BYPYZUCNSA-N	234.036	-0.333	50	10	BBGE	
CC12COC(C(=O)N3CC[C@H](B(O)O)C3)(C1)C2	1967586385	JSZBTEJOSSSIJY-PUSIOWJLSA-N	239.080	-0.369	50	10	BBGE	
CC1(C)CO[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1972412186	HOSJWKOLZADOEY-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C2CCC2)C1	1981241378	CHEGXUOATQPFDG-SNVBAGLBSA-N	227.308	-0.277	50	10	BBGE	
Cc1ccnc(N2CCSCC2)c1B(O)O	1981414496	SHLYLLIKFBZMBT-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1[C@H]2OCCC[C@H]12	1983238849	MXJFTRFDXAYQOT-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC(F)(F)C(=O)NN	1984129393	CNKPUTRKBOBCBK-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
COC[C@@H](C)N(C)CCC(F)(F)C(=O)NN	1984130559	UYNHTYTYNYIHLW-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)c1cccnc1CSC1CNC1	1984167701	AAXSIGRQACOHIH-UHFFFAOYSA-N	238.316	-0.110	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@H]1CF	1985768549	ZNNOQTGNABCDFI-IUCAKERBSA-N	233.287	-0.329	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(CSC)C1	1985893968	CVNLFPOOGGXMAE-QMMMGPOBSA-N	247.364	-0.324	50	10	BBGE	
CCC[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	1986908186	FYIKNRGASVYQDS-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1	1992395712	VAIWGPKNGZSOKB-AXTSPUMRSA-N	225.292	-0.239	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]1C1CCOCC1	1992988108	KYMFZKMSBBMRSK-IUCAKERBSA-N	227.069	-0.823	50	10	BBGE	
CC(C)COC1CCN(C(=O)C(=O)NN)CC1	1996867152	VKFPEGOGQWXQON-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
C[C@@H]1N(c2ncc(B(O)O)cn2)CCC1(C)C	2004916602	NIEKYPSQSCOYAP-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)CC2CC2)n1	2005016615	SANHNWKDEAASIQ-UHFFFAOYSA-N	235.096	-0.381	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@]12C[C@@H](CO)C2	2011132118	MBUJTVZJIJTWIQ-GMOBBJLQSA-N	239.319	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1C[C@H](C)O	2013007384	XSEDUQJJIBATQS-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nnccc1C	2017628245	SYDHVYOBGBKTCC-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ocnc1C	2019210696	OGYWIVLZTMTVMO-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
CCO[C@H]1CC[C@H](C(=O)NCC#CB(O)O)C1	2021111117	VBHKXBRQJIESSL-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
CC1(COCc2cccc(B(O)O)c2)COC1	2022697559	GBUQWXQPSUWESS-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1(CCO)CCC1	2025523502	YATUJYVVTPWVQX-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1ccc(NC(=O)c2cnco2)c(B(O)O)c1	2031811422	ORXKZNBTFPULPU-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1occc1C(=O)Nc1ccc(B(O)O)cn1	2040763763	UJRFGMBYOTXFBK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(B(O)O)c1OC	2060015564	DGRHHYUZXMECAW-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071024584	ADDPLKDUIBKPNL-KHWQERMQSA-N	246.075	-0.563	50	10	BBGE	
COc1ccc(C)c(C(=O)NCC#CB(O)O)c1	2077433388	RFLFWIIDQZCNON-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2[nH]ccc2c1	2077491649	CCYOPPNREQSSDN-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
CC[C@H](COC)C(=O)N1CC[C@@H](B(O)O)C1	2208731297	CZABUFZAOQWFLQ-RKDXNWHRSA-N	229.085	-0.266	50	10	BBGE	
OB(O)c1ccc(NCC(F)F)nc1	2210059506	AELVHVXPONFIGK-UHFFFAOYSA-N	201.969	-0.562	50	10	BBGE	
C[C@@]1(C(=O)O)CC[C@@]1(C)C(=O)NNCCO	2210587967	SFYNDPXXDGANRI-UWVGGRQHSA-N	230.264	-0.510	50	10	BBGE	
OB(O)c1cscc1CN1C[C@H]2COC[C@@H]21	2211137059	ADZRDQSWPXJNBI-XVKPBYJWSA-N	239.105	-0.742	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC23CC3)c1	2212600658	DYNSOSRTRKEMJC-MRVPVSSYSA-N	218.065	-0.027	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCOC2)c1F	2212606246	QTUITMBWRWXFHP-LURJTMIESA-N	226.016	-0.899	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cn1)[C@@H](C)O	2212610550	KPCUYBSQCJPWGN-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
COC12CC(C1)N(C[C@@H]1CC[C@H]1C(=O)NN)C2	2215771244	GZRUWTIOXAQZBW-GWFPEYJASA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2cc(B(O)O)ccn2)[C@H]1C	2217176706	ZNYCCMPCAZHCEG-OYNCUSHFSA-N	236.080	-0.403	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1c1ncccc1B(O)O	2217178319	ULDQOHCNOGMZAO-DTWKUNHWSA-N	236.080	-0.889	50	10	BBGE	
COCC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217183023	IMWUNWAOUMLVCF-SECBINFHSA-N	238.096	-0.093	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCNC1	2217198620	DHUBMDLOXLXKGL-NSHDSACASA-N	235.096	-0.827	50	10	BBGE	
C[C@H]1CNC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217199155	KKITVPXDPBBVLH-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3COC[C@@H]32)nc1	2217201944	GQXSAJNFWGEMHL-FKTZTGRPSA-N	234.064	-0.792	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@H]2CC[C@H]2C(=O)NN)c1	2221565196	BMCQWEAEYUWZBD-NXEZZACHSA-N	246.270	-0.264	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)ncn1	2223626160	GVPYEZAYCBUGLT-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CCC[C@@]1(Nc2cc(B(O)O)ccn2)CCNC1	2223634105	FVGYWCASKLHFRD-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(N2C[C@H](N)CC[C@@H]2C)cc1B(O)O	2223646440	KQGSRWXXRIVZKM-VHSXEESVSA-N	249.123	-0.614	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)C[C@@H]2NCC[C@H]21	2223658094	JZTPPSAJVWUGEX-SCVCMEIPSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1CCCC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223666990	PMCKCUSRUWUKGH-UWVGGRQHSA-N	249.123	-0.184	50	10	BBGE	
Cc1nc(CCN=c2ccc(B(O)O)c[nH]2)co1	2223671168	ILEWSDHLWIWORB-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
O=C(NC1CC1)c1sccc1B(O)O	2241478668	JZEIKUVRDQJVPI-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)C1(B(O)O)CC1	2241482045	ZUQFFPHYBISLKG-WDSKDSINSA-N	217.461	-0.263	50	10	BBGE	
CCOC[C@H](C)NC(=O)C1(B(O)O)CCC1	2243347218	JLVIFIDXEPKDOI-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)o1	2243356994	PSMCUPYVCOYUAK-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccoc1B(O)O	2243362325	PJCWCABVTZLZHO-BDINMYNLSA-N	223.037	-0.656	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)C1(B(O)O)CC1	2243364538	YRDOKSQZDGZDKP-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
CO[C@H](C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381563	GZWAQWUJAKNDLK-HLTSFMKQSA-N	229.085	-0.219	50	10	BBGE	
CC[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243392967	YSIJXUKRYCWDKG-GJMOJQLCSA-N	225.053	-0.366	50	10	BBGE	
CCC1CN(C(=O)c2occc2B(O)O)C1	2243409132	BMWFDZDGFOINQT-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
O=C(NCCOC1CCC1)C1(B(O)O)CC1	2243411438	TXFYBEJRZCNCES-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
C#CCN(CC1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243415464	VKZVTGFNPSMNQP-UWVGGRQHSA-N	221.065	-0.279	50	10	BBGE	
C#CCN(CCF)C(=O)[C@H]1C[C@H](B(O)O)C1	2243427242	SEZPDOXQCLHXGL-KYZUINATSA-N	227.044	-0.329	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cocc1B(O)O	2244218204	XCQXDFNMRKXDSB-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)CC[C@H]1O	2247754519	MKIXPEIWMKQNOB-JGVFFNPUSA-N	241.096	-0.341	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2247761702	WLUSMTRBAVZPIE-QMMMGPOBSA-N	232.048	-0.933	50	10	BBGE	
CC(F)(F)CNC(=O)c1cncc(B(O)O)c1	2247771764	NMQKVQAMXJGDHH-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
O=C(NCCC1CCC1)c1n[nH]cc1B(O)O	2247782417	UPJGPIUTSJNEPG-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC(C)OC(=O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787913	WJZKSILXCNWLCL-OCAPTIKFSA-N	243.068	-0.693	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247796596	BCZRYQHTFDLYON-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)[C@H]1C[C@@H]1B(O)O	2247808913	NEBTUVZEVZDCNF-SOYHJAILSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810368	WUUMUDBZUHNSEA-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
CC[C@@H](NC(=O)c1coc(B(O)O)c1)C(F)F	2247871561	DESQNWMAHJBCHY-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1nccn1C	2247872504	SYWTXSPKJXIRBB-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NCC#N)c1	2247891066	FGVYWDOKDAAPSP-UHFFFAOYSA-N	236.011	-0.933	50	10	BBGE	
C[C@]12CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@]1(CO)C2	2247895665	BFXNKDFIUZKQQK-IFFSRLJSSA-N	239.080	-0.920	50	10	BBGE	
CC(C)(CO)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247897204	PLGJTPQUMOSPPR-IUCAKERBSA-N	243.112	-0.236	50	10	BBGE	
COCC(C)(COC)NC(=O)[C@H]1C[C@@H]1B(O)O	2247900441	WTZQDKAQOWPGFD-YUMQZZPRSA-N	245.084	-0.983	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905590	USYKEVMFDBMHMX-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
C#CCNC(=O)c1cc(F)c(B(O)O)cc1F	2247942061	NTDMFCDVOSRZAN-UHFFFAOYSA-N	238.986	-0.992	50	10	BBGE	
C[C@H]1C[C@@]1(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576091	DESUZQIMLMPBIC-QFNGTQGLSA-N	241.052	-0.781	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(CCCCC(=O)NN)C2	2249573516	BJNXXRBDAPCYSW-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CCC1(Oc2ncc(B(O)O)c(C)n2)COC1	2250815114	NHHAZLANEFRYMC-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ncncc1B(O)O	2254284623	IJDUSBCWKAHNGB-YWVKMMECSA-N	247.107	-0.076	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1ccc(B(O)O)o1)C2	2255464684	ZTTQUEIPQDCDNV-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
COc1ccccc1CN(C)C(=O)C#CB(O)O	2255470234	ZZJUWXWWAJCVTP-UHFFFAOYSA-N	247.059	-0.331	50	10	BBGE	
Cn1cc(C2CN(C(=O)C3(B(O)O)CC3)C2)cn1	2255488896	LIBDSCWUZCFFDW-UHFFFAOYSA-N	249.079	-0.647	50	10	BBGE	
CCCC1(NC(=O)c2ccc(B(O)O)cn2)CC1	2255517103	ADJUYBNWJNQPGC-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1ccc(B(O)O)o1	2255669123	JTWYZFCNIKLGIO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC[C@@H]2C[C@H]21	2255671126	MZBHDOVILFDYPW-BCMRRPTOSA-N	248.091	-0.435	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2255672635	JXUPQWAPFULWEE-FGGBMERFSA-N	246.075	-0.825	50	10	BBGE	
Cc1cccc(C(=O)Nc2ncco2)c1B(O)O	2263395468	PLWYWEZGSFOVLC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ccccc2C[C@@H]1CO	2264320822	YCHSHGSTUMZDDT-BXKDBHETSA-N	249.314	-0.216	50	10	BBGE	
CC[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368798	YOYFZLZWBWRPMR-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)NCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369524	XOMZMZNVYTYPHZ-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
CN(CC[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2298370127	PLFLQTPSYAJDBD-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1C	2298371871	YHZPXAAFAJSWAQ-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1NCC2)[C@H]1C[C@H]1B(O)O	2298374624	FRBFTFPUEYPUQQ-QCBRBAQYSA-N	238.096	-0.750	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298468125	SQUOAARIZDIAJF-SDNRWEOFSA-N	241.096	-0.362	50	10	BBGE	
COC[C@@H](O)CN(C)[C@H](C)CCCC(=O)NN	2302061927	XBSNMDRSFYDRRW-ZJUUUORDSA-N	247.339	-0.526	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2[C@H]3COC[C@H]32)nc1	2302544465	GLTRJRXWNQTRFT-MYJAWHEDSA-N	235.048	-0.967	50	10	BBGE	
CCc1cnn(CCN(C)CCC(=O)NN)c1	2306282299	AYNGSOKPDGJRNV-UHFFFAOYSA-N	239.323	-0.243	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]1[C@@H](O)C2	2306284189	TWHXQVPTBDAXEO-HHKYUTTNSA-N	239.319	-0.542	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC[C@@H]2C[C@H]12	2309538367	RLOQYLNWDHDCAR-MIMYLULJSA-N	247.107	-0.219	50	10	BBGE	
O=Cc1ccc(NCCN2CCC2)cc1B(O)O	2317347714	BTJYHIGHXALMJJ-UHFFFAOYSA-N	248.091	-0.704	50	10	BBGE	
CCC#CC(=O)N[C@H](C)c1cccc(B(O)O)c1	2319240790	PGGCIUUBSVEXHV-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@H]1N=C=O	20257993	CLNZNAGCEJUAJV-ZETCQYMHSA-N	219.266	-0.450	50	10	BBGE	
C[C@H](CNCCN1CCCCC1)C(=O)NN	58846202	OQYKWGMWPNIUBP-SNVBAGLBSA-N	228.340	-0.312	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C(C)C)CC1	82467858	JDTWCVQUILNFSX-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
CN(C)[C@H]1CCN(CC(C)(C)C(=O)NN)C1	86597847	WQYXCWVTEQXSFU-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CC(=O)N1CCCN([C@@H](C)CC(=O)NN)CC1	104115325	CEIWDYYFANRUHK-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nn1	104643803	UJLCBFVSGSAQDP-RFZPGFLSSA-N	209.209	-0.778	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1cnccc1=O	111402995	RWUZUWHNTOHMGU-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@H]1CCCO1	199005449	NJOZYSCSARCVGD-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CC[C@H](C2)O3)c1	203529994	PHFWRLSSNJQMAA-BETUJISGSA-N	247.103	-0.270	50	10	BBGE	
CSCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	217720413	BUEHSRAPGRHWJS-JGVFFNPUSA-N	246.141	-0.930	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)C[C@@H]1O	230357231	JSKXGHYNXDNPDE-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](S[C@@H](C)CCN)C(=O)NN	232421711	KMIORMQTOHYMNG-BQBZGAKWSA-N	221.326	-0.538	50	10	BBGE	
O=C1CN([C@H]2CCO[C@@H]2C2CC2)CC(=O)O1	236407820	AJHQQRBEBDBALA-GZMMTYOYSA-N	225.244	-0.061	50	10	BBGE	
O[C@H]1CN(CCOCCCl)C[C@H]1O	236574354	SJWBCBFLQZUUKT-OCAPTIKFSA-N	209.673	-0.721	50	10	BBGE	
C[C@H](NC(=O)c1cccnc1)C(=O)NN	238428226	SFJGTYGZHCQPEB-LURJTMIESA-N	208.221	-0.810	50	10	BBGE	
O=[P@](O)(NCCO)NCCCl	238707214	ZULGCWYTEFJHBP-UHFFFAOYSA-N	202.578	-0.503	50	10	BBGE	
COC[C@H](C)N(C)[C@H](C)[C@H](C)C(=O)NN	252612180	WFKMVBVTUPQZLZ-XHNCKOQMSA-N	217.313	-0.032	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC[C@H](C)O	253012188	DBLNVUYYIGIUKW-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
N#CC[C@H]1C(=O)N2CCCNC2=C1C=O	259839106	YEVGBSDUPYKLIW-SSDOTTSWSA-N	205.217	-0.238	50	10	BBGE	
CSc1c(B(O)O)ccc2nc[nH]c12	306604269	YQXPCYSQFVNZNU-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
C[C@@H]1C[C@H](N=C=O)CN(S(C)(=O)=O)C1	306773461	IUDZTCHPFLKISI-SFYZADRCSA-N	218.278	-0.008	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC2)n1	308818949	PYAAHSBLVTWOAH-UHFFFAOYSA-N	206.249	-0.109	50	10	BBGE	
Nc1ccc(C(=O)NNC(=O)C2CC2)cn1	309619310	OSFXHYLABPXOCD-UHFFFAOYSA-N	220.232	-0.165	50	10	BBGE	
CN1CC[C@H](N(C)Cc2ccccc2B(O)O)C1	381042282	WCXNJEMPURJPSP-LBPRGKRZSA-N	248.135	-0.498	50	10	BBGE	
NC(=O)CCn1ccc2ccc(B(O)O)cc21	382639909	LXXBZGRMGLDLDF-UHFFFAOYSA-N	232.048	-0.804	50	10	BBGE	
OB(O)c1cc(OC(F)F)cc2nc[nH]c12	396037541	FKCCXIMFJNDPGJ-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
CCOC(=O)CCc1cccc(B(O)O)c1O	396051162	GKOQZOLQOQTHNX-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(/C=C/C(=O)O)c1	396142784	SCVOEYFDAUGGOY-GQCTYLIASA-N	245.043	-0.080	50	10	BBGE	
Cc1ccoc1C(=O)Nc1cc(B(O)O)ccn1	405030579	NHMCGISDARMDBB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cn1nnc([C@@H]2OC[C@H](CCl)O2)n1	575519387	IWOZTKVASCWYIE-UJURSFKZSA-N	204.617	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CN(C)C)C1	689161069	WISJCDIDWDNWJQ-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)c1ccccn1	692777616	OOOGPTZBNGXEDX-ZETCQYMHSA-N	222.248	-0.709	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	693393964	DBTMBZXVPAXTRA-ZXFHETKHSA-N	219.191	-0.864	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC[C@@H]1N(C)C	693629991	LGOYJAAMEKOYSG-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
N#Cc1ccccc1Cn1ccc(B(O)O)n1	694307354	HCBGJORUVSSFIA-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@@H](CO)C1	700397843	BPGXKGHSDSXIST-LMLFDSFASA-N	243.351	-0.049	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C[C@H]1C	706206928	LNHIYTPNOCKRPA-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H]3C[C@@H]32)n1	706984534	PIAMRHKLRJIPRU-SVRRBLITSA-N	222.248	-0.128	50	10	BBGE	
O=S(=O)(CBr)Nc1nn[nH]n1	709813476	CKYDSVVDBIHEQS-UHFFFAOYSA-N	242.058	-0.706	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)Cc1ccccc1B(O)O	724140397	OKCWXLJDURHKPA-QWHCGFSZSA-N	249.119	-0.024	50	10	BBGE	
CN(C)CC(=O)NN=C1CC(=O)N2CCC[C@@H]12	799478331	BMDXYWXMFQMPIU-VIFPVBQESA-N	238.291	-0.585	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)cs1	807196564	WUCXTRIFVMHKND-UHFFFAOYSA-N	214.246	-0.190	50	10	BBGE	
Cc1cc(=NNC(=O)[C@@H]2CN(C)C(=O)N2)cc[nH]1	862515575	WNLAAODFASOBOR-VIFPVBQESA-N	249.274	-0.721	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NN(C)C(N)=O	867127852	UZAYRIJNBQVVRX-VQVTYTSYSA-N	215.253	-0.158	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccsc1=O	886005316	KNDZTFCYKYLAPJ-PHDIDXHHSA-N	213.262	-0.464	50	10	BBGE	
COCN(C)C(=O)c1ccc(F)c(B(O)O)c1	1088207821	ZSFJLRXXCDKJQD-UHFFFAOYSA-N	241.027	-0.819	50	10	BBGE	
Cc1nnc(CCC(=O)NNC(=O)N(C)C)o1	1292257359	GCSZOOQELNBYKO-UHFFFAOYSA-N	241.251	-0.387	50	10	BBGE	
Cn1cc(C(=O)NN=c2cc[nH]cc2)n(C)c1=O	1633801003	RJHCQOAKZSPNRS-UHFFFAOYSA-N	247.258	-0.702	50	10	BBGE	
O=C(Cn1ncnn1)NNc1cccc(F)c1	1636755183	LHXFYDZOJPODNM-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
O=C(O)[C@@H](O)CNC[C@H]1C[C@@H]1Br	1881564877	NTKZJYUIGMEIKV-SRQIZXRXSA-N	238.081	-0.195	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)[C@@H]1C[C@@H]1Cl	1883646123	VXVIMHBILMPNQM-QYNIQEEDSA-N	206.673	-0.608	50	10	BBGE	
CN(NC(=O)CCl)S(C)(=O)=O	1888562603	XRALIWNOQGNHAN-UHFFFAOYSA-N	200.647	-0.852	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCO1)C(=O)NN	1889799066	IEZPAYXWQCQHPA-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCC1(CO)CO	1891562476	FMVZBMRNZRZMBP-ZETCQYMHSA-N	221.684	-0.041	50	10	BBGE	
COC1(OC)CN(S(=O)(=O)CCCl)C1	1892098256	ZLNAQKNNZRCBOP-UHFFFAOYSA-N	243.712	-0.140	50	10	BBGE	
NC1[C@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]12	1893406355	WEMYRADSUXKSMK-WDSKDSINSA-N	214.652	-0.277	50	10	BBGE	
COC[C@@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893460389	FGZFLMWRKPJGDA-HCWXCVPCSA-N	221.640	-0.171	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC[C@H]2O)C1	1895797084	VVWSQXZNDFFKOL-DJLDLDEBSA-N	225.292	-0.931	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1CC[C@H]1O	1897960654	JFMXAFRFGHNLPW-JQCXWYLXSA-N	225.244	-0.326	50	10	BBGE	
CCOCCOCCOC[C@@H](C)C(=O)NN	1901435420	HHFZHNFCMPBFCC-SECBINFHSA-N	234.296	-0.318	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@]3(C)C2)c1B(O)O	1907072171	GYJQGJMZNRQOHF-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]1CF	1909489515	PKLSVFVAJSLXDU-OIBJUYFYSA-N	237.039	-0.090	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1[C@@H]2CCO[C@@H]21	1910117579	ZQDFXAUZMPUCAL-ZQNVIIHSSA-N	237.064	-0.762	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CCC[C@H]1COC2	1910346107	OYYGVDQIHVBUTE-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@]2(CO)C1	1910379071	KGFLZUUXQDUXTA-DTHBNOIPSA-N	239.319	-0.683	50	10	BBGE	
Cn1nc(O)cc1C(=O)N[C@@H]1COC[C@@H]1Cl	1913097847	AKWKJFGEJGPXSA-NTSWFWBYSA-N	245.666	-0.138	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C(F)(F)F	1923233813	VRVOTNIXDNDBNT-SCSAIBSYSA-N	210.948	-0.376	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1928000590	UMEUKQKZILYKKQ-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
C[C@@H]1CCN(C(=O)CCl)[C@@H]1C(N)=O	1928672820	VKFNLGDZNROOMR-VDTYLAMSSA-N	204.657	-0.053	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NN)C1	1930899150	HHGBRERQWBHNIZ-SSDOTTSWSA-N	213.281	-0.081	50	10	BBGE	
CN(Cc1ncon1)C(=O)NC(=O)CCl	1931738646	VFVXSSQGHRNGFE-UHFFFAOYSA-N	232.627	-0.024	50	10	BBGE	
C[C@@H](OC[C@H]1COCCCO1)C(=O)NN	1933318528	XUPIZTSHTKSRHM-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
Cc1cnn(CC(F)(F)C(=O)NN)c(=O)c1	1935942812	WTCGBPIMHBEPQS-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@H](F)C2)CC1	1938231934	GCCXFZJBHIQURL-SFYZADRCSA-N	231.271	-0.839	50	10	BBGE	
C[C@H](N(C)CC1(C(=O)NN)CC1)C(C)(C)O	1938248964	NOFQXBIGGIPFBY-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@]1(CO)CCCCN1CC1(C(=O)NN)CC1	1945889090	LRNGEIDKAAHSGU-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CN(C)C[C@H]1C[C@]12CCOC2)C(=O)NN	1950637867	DAANJDKMENCIEZ-FOGDFJRCSA-N	241.335	-0.029	50	10	BBGE	
CC(C)(C)n1nnc([C@@H](N)[C@H](O)C#N)n1	1953032211	XRSAALLJEHHULR-RITPCOANSA-N	210.241	-0.688	50	10	BBGE	
O=C1NC[C@H]2CC[C@H]1N2C(=O)CCl	1954081866	VPCAVJAJGGOMKW-PHDIDXHHSA-N	202.641	-0.285	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550524	XCWDVOHOUIVHMQ-DMHSOCPYSA-N	219.668	-0.434	50	10	BBGE	
CCN(C[C@@H](O)CCl)[C@H]1CCNC1=O	1956859245	UUROKYVFTWNACS-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
CNC(=O)C1(NC(=O)NC(=O)CCl)CC1	1958551234	BZNJJFYXCHNALF-UHFFFAOYSA-N	233.655	-0.670	50	10	BBGE	
CN(C)C[C@H]1CCN1CCCC(=O)NN	1958805856	WTXXKPHLGZOBTK-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CCN(CCC(=O)NN)C[C@H]1CCOC1	1961262923	ZWPGXVGUXLUHII-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CC[S@@]1=O	1961395028	ZAASVDXTSTXCKB-HNNXBMFYSA-N	233.337	-0.791	50	10	BBGE	
Cn1nccc1C=CC(=O)N1CC[C@@H](B(O)O)C1	1964510923	SBNUINFUTRJBJL-SECBINFHSA-N	249.079	-0.491	50	10	BBGE	
CCNC(=O)C1(NC(=O)NC(=O)CCl)CC1	1976521660	YNBCFBQGZZMCMB-UHFFFAOYSA-N	247.682	-0.280	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCn2c(CO)nnc2C1	1981092666	CBFASQDXXQQFQA-ZCFIWIBFSA-N	244.682	-0.260	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@H]1CF	1981143725	OEOABIUCCSBNQV-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@](=O)[C@@H](C)C1	1981188078	NMYLMFVQXURVNR-DRTKUVKGSA-N	247.364	-0.402	50	10	BBGE	
CCC1(F)CN(c2ncncc2B(O)O)C1	1981409593	PAFNOOMVRCSZOD-UHFFFAOYSA-N	225.032	-0.905	50	10	BBGE	
CC[C@@H](COCCOCC(=O)NN)N(C)C	1983906639	HLFNJQFELOAOLN-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@]12CC[C@@H](NC(=O)C(=O)NN)[C@H]1C2	1984311973	MACDBFRZFVAFFI-SOCHQFKDSA-N	225.292	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CCO[C@H]2C1	1986660444	NBBPBJZQSBOYNV-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
O=C1CN([C@H]2CCN3CC[C@H]2C3)CC(=O)O1	1989763484	HTECCNYUDMNQGG-IUCAKERBSA-N	224.260	-0.534	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@]2(C)C[C@H]1CO2	1990774426	ITHXLHTXNSJTRQ-WCBMZHEXSA-N	227.264	-0.983	50	10	BBGE	
O=C(CCc1cn[nH]c1)NCC=CB(O)O	1991329823	JNQSUESAPOXJHW-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)N1CC(O)(C(=O)O)C1	1991454036	UFJVJZCXJXCVTN-RITPCOANSA-N	248.666	-0.545	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)[C@H]1C[C@@H]1Cl)C2	1991692527	HOBHQKFASFGJRI-BQBZGAKWSA-N	243.694	-0.150	50	10	BBGE	
CC1(C)CC[C@@H](C(=O)NCC#CB(O)O)C1	1992154505	ZIXKZNLVDWLIQR-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	1995620231	MYSPPQXHLWVXQZ-DULFRNCASA-N	221.304	-0.192	50	10	BBGE	
C[C@@H](CN1CCC([C@@H](F)CO)CC1)C(=O)NN	1999599580	UKHNNJVFDPUOJD-WPRPVWTQSA-N	247.314	-0.345	50	10	BBGE	
CCN1CCC(=O)N(C[C@H](C)C(=O)NN)C1=O	2004303475	PGEKRVIIILAYMV-ZETCQYMHSA-N	242.279	-0.713	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1ccc(B(O)O)cn1	2004911014	BNYVODGTKJKIPI-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1ccnc(Sc2nccn2C)c1B(O)O	2004991926	XGVMMGLMYPZMKY-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
NNC(=O)C(=O)NC1CCN(C2CCC2)CC1	2005215732	GIQSVJAZNZSIRE-UHFFFAOYSA-N	240.307	-0.891	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2005806545	KSGOYFLGJHRYPM-JQRWTQJCSA-N	235.287	-0.521	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980383	VAONCZHLVTUAMO-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
N#Cc1cccc(C(=O)NCC=CB(O)O)c1	2020060305	ANJCYNAMGNHJOA-UHFFFAOYSA-N	230.032	-0.144	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@H](C2)C3)c(B(O)O)c1	2021439610	RJVKNQTXNIILRW-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@@H]1CO	2031686946	RCAZCVSYTQZWSN-GFCCVEGCSA-N	249.314	-0.214	50	10	BBGE	
CCN1CC[C@@H](N(C)c2ncccc2B(O)O)C1	2052498924	LFTQJFWQBQGBDC-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ccccc2[C@@H](CO)C1	2056056333	GGGWDYFQNKRGQN-GXSJLCMTSA-N	249.314	-0.044	50	10	BBGE	
CCOc1ccc(C#N)c(C)c1B(O)O	2060204667	GNIYPFYUIRLLCY-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1C[C@@H]2CC[C@H]2C1	2070102374	QYHXEVZJZNRYIF-IUCAKERBSA-N	247.107	-0.219	50	10	BBGE	
CNNC(=O)c1nn(C)nc1Br	2209023182	MDOAPMSFAXHENX-UHFFFAOYSA-N	234.057	-0.558	50	10	BBGE	
N=c1nnc(=NC[C@@H]2C[C@H]2Cl)[nH][nH]1	2209172598	HHCZRPWYNXNEDQ-IUYQGCFVSA-N	200.633	-0.860	50	10	BBGE	
NNC(=O)C1(COC2COC2)CCC1	2209999477	VLWXTLSGPGZLRG-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H]1CCC[C@H]1O	2210165728	OGRZULHWWNBGKU-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CCC[C@H]1Nc1ncc(B(O)O)cn1	2212602487	FHSMORJGWPLEHB-IONNQARKSA-N	221.069	-0.243	50	10	BBGE	
CC1(Oc2cc(B(O)O)ccn2)CC(N)C1	2212606249	QWKZMWOAFKTCKT-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
CC[C@@](C)(CN)Oc1ccc(B(O)O)cn1	2212606277	RJEYRADVDBFDPZ-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
CCC[C@@](C)(O)CNc1ncccc1B(O)O	2217175708	MLBHANYLXZNGSS-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2217175908	PBQIYJLPNJAGPQ-UWVGGRQHSA-N	235.096	-0.557	50	10	BBGE	
CC1(C)C[C@@H](Nc2ccc(B(O)O)cn2)CO1	2217176225	TWNOTJGMZLNEHS-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
COC1(CNc2ccc(B(O)O)cn2)CCC1	2217177849	OBQXUWAKDHOWJU-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OC[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)C1	2217182704	GKMPWMLSGRMLHY-KNVOCYPGSA-N	240.043	-0.917	50	10	BBGE	
N[C@@H]1CC[C@H]1COc1nccc(B(O)O)c1F	2217193147	LCYACSOCYVSCPX-POYBYMJQSA-N	240.043	-0.983	50	10	BBGE	
Cc1nocc1CNc1ncccc1B(O)O	2217204402	JITMEDZLUGPJPK-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C[C@]12CNC[C@]1(COc1ncccc1B(O)O)C2	2223627486	QYOSLMKGIUEIJH-RYUDHWBXSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC=CCO3)C2)c1	2223632174	GMESJBPJCWKCRH-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](C3(O)CC3)C2)nc1	2223644054	DHVVICRDPPSLLN-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
O=C(CNCCO)N[C@H]1C[C@H](Cl)C1	2241654876	DQGXTPWBLNEPFS-LJGSYFOKSA-N	206.673	-0.546	50	10	BBGE	
CC1(C)CN(C(=O)c2ccoc2B(O)O)C1	2243349356	JYQNCPUVYVOJPM-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C[C@H](F)CCNC(=O)c1nscc1B(O)O	2243349878	RVWHJFHNRDQWEQ-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(C1)CC21CC1	2243356516	IWTKIOHFVNJDII-UHFFFAOYSA-N	219.049	-0.549	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243358036	AZZRCXSAWCKRRE-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
C#CCCCNC(=O)c1occc1B(O)O	2243358347	FTXHPLQLGXEMFG-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ncsc1B(O)O	2243358703	JLXPNCUMMMZURC-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
O=C(NCC1CCC1)c1ncsc1B(O)O	2243359371	RUOMJHQPULTYRZ-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccoc1B(O)O	2243362188	NGBBPKCMQBCTOP-VDTYLAMSSA-N	227.000	-0.953	50	10	BBGE	
CC(=O)NC(=O)c1cc(Cl)cc(B(O)O)c1	2243367796	YQXFUVCODUNHMZ-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
CCOC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243382006	KFCSNYYNGVOGLL-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243396609	OJXPMRVBURTDQV-JBDRJPRFSA-N	227.069	-0.515	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@@H]1B(O)O)N(C)C	2243398715	SONCEWBIMBMASU-VGMNWLOBSA-N	228.101	-0.694	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(CC2)C1	2243404754	TWYKDVADUYLFDZ-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1csc(B(O)O)c1	2243408152	IEMFPYUMYZTPDG-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
O=C(Nc1ccns1)c1coc(B(O)O)c1	2243409558	KLZBFXAERPWNQD-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(NCCN1CCC1)[C@H]1C[C@@H](B(O)O)C1	2243415335	SGNHEWROWNSCKG-DTORHVGOSA-N	226.085	-0.939	50	10	BBGE	
CC1(C)COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243415421	UQRLAZRFTXKPLN-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CN(C)C	2243427158	RDXHYCUQRXHEQW-HRDYMLBCSA-N	228.101	-0.837	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(B(O)O)co1	2244212236	NBRAKPIIHPMDNZ-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC1(C2CC2)COC1	2245001780	OVSYCEBLCAWVSZ-VXNVDRBHSA-N	226.276	-0.192	50	10	BBGE	
C=CC1CN(C(=O)c2sccc2B(O)O)C1	2245433208	NNZFQNDTMWQQBU-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
C[C@H]1Cc2ccccc2N1C(=O)C#CB(O)O	2247740443	KPMZVXLSXVWQKP-VIFPVBQESA-N	229.044	-0.020	50	10	BBGE	
C#CC[C@](C)(CO)CNC(=O)C1(B(O)O)CC1	2247757515	VVMQKSQITKYHLT-JTQLQIEISA-N	239.080	-0.869	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@@H]1C	2247760551	JXQQKXOXBDPCQI-WCBMZHEXSA-N	233.076	-0.187	50	10	BBGE	
Cc1cccc(C(=O)NC[C@H](C)F)c1B(O)O	2247761088	QRBWSGZRUODAKN-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)C(F)F	2247770335	ONRDAFCKRGOPNA-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H](C)CN1	2247792485	SUKGTXFQRJDZKR-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)C2CC(B(O)O)C2)O1	2247797684	MBMXMXGXHQLVEH-NFTFJBJSSA-N	241.096	-0.077	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCO[C@H](CF)C1	2247799075	ZNKANBXTUDTECN-AMDVSUOASA-N	245.059	-0.564	50	10	BBGE	
C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@@H]1B(O)O	2247803362	ARTVWPZCRPFVKC-VGMNWLOBSA-N	237.068	-0.749	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	2247848148	HTCQYDZBELJQTH-GBVMLCMLSA-N	233.076	-0.447	50	10	BBGE	
CCCC1(O)CCN(C(=O)C#CB(O)O)CC1	2247848548	NFYYMDFPXFFBKA-UHFFFAOYSA-N	239.080	-0.845	50	10	BBGE	
CCON(C(=O)c1ccoc1B(O)O)C(C)C	2247869294	PDNXKWVBGOOQHJ-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247897975	ZBEVXGLLOXCRQY-AATLWQCWSA-N	238.096	-0.846	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1O)C1CC(B(O)O)C1	2247904571	QEZWADFDFSVDMD-YDYPAMBWSA-N	241.096	-0.341	50	10	BBGE	
CC(C)(F)[C@@](C)(F)C(=O)NCCC#CB(O)O	2249999600	XQHFBFDUOZJMNA-JTQLQIEISA-N	247.050	-0.016	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2255514518	JYBJSPKQSWMQIP-IAZYJMLFSA-N	245.087	-0.187	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC[C@@H]2C[C@H]21	2255533119	YDNZOTKRUZCYHN-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC2(CC2)C1	2255683119	QZLZLMOHOWAXLS-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
O=C(NCc1ccc(CO)cc1)[C@H]1C[C@H]1B(O)O	2255774292	QDKKJEVSXLGPCE-WDEREUQCSA-N	249.075	-0.342	50	10	BBGE	
CC#CCC(=O)N1CCc2cc(B(O)O)ccc21	2256740654	ZDRAYBJLBGPGNR-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
C#CC12CC(CCN1c1ncccc1B(O)O)C2	2260398004	BRXIQSWAGLMPMU-UHFFFAOYSA-N	242.087	-0.247	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1C[C@H]2C=C[C@@H]1C2	2298370867	PDWNCIPZSKUWSE-IONNQARKSA-N	249.100	-0.172	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2298371078	YTKGZDPAIZYZDA-JAJCVEGXSA-N	241.096	-0.223	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)C1	2298376577	DURDDVUTZNRROW-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cc2C#N)COC1	2301366460	FKGDUWSLRVBOJE-UHFFFAOYSA-N	233.032	-0.594	50	10	BBGE	
COc1ccc(NC(=O)C2CC2)cc1B(O)O	2301525243	NJPLCFJFRWIWKL-UHFFFAOYSA-N	235.048	-0.277	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303848119	UGHHVQNDJRDULC-IMTBSYHQSA-N	240.043	-0.510	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c1B(O)O	2309538334	PNFORDZYPVXFQN-NAKRPEOUSA-N	244.103	-0.086	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2318348853	VCIOERRDXGMUSI-INTQDDNPSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cc(=NCc2cccnc2)[nH]cc1F	2320796442	JRQRJSQZMMBNRS-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
Cc1ccnc(OCC2=CCCOC2)c1B(O)O	2327493076	RZZBGVMSVZPDPG-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
CC[C@H](C)NNC(=O)C(=O)NN[C@H](C)CC	2000116	PKBZOMMXDJTFRI-OCAPTIKFSA-N	230.312	-0.175	50	10	BBGE	
NNC(=O)Cn1c(=O)ccc2ccccc21	69850287	ZODMJOAERNQZSK-UHFFFAOYSA-N	217.228	-0.009	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCN(C)CC1	82466523	URDREGXDCCYJHI-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)CCCn1ccn2nccc2c1=O	130762453	WGGXIGBYESTATK-UHFFFAOYSA-N	235.247	-0.734	50	10	BBGE	
COC[C@H](Br)CNS(C)(=O)=O	136825507	ADNJPQNOACROSJ-RXMQYKEDSA-N	246.126	-0.055	50	10	BBGE	
CC[C@@H](C(=O)NN)n1cnc(C#N)c1C#N	164686457	MLCHXHLHLGOLQF-ZETCQYMHSA-N	218.220	-0.433	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](N)C2)c1	203224829	PZROKAXZWBJSDN-MRVPVSSYSA-N	224.264	-0.584	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](C)O	211936307	RURVSIQJZUHWGO-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC[C@@H](C)O	220007793	HBLREWOBXKEJAO-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
C#CC[C@H](NC(=O)CCl)C(=O)OC	238799070	DPWAWHQSXBVTJS-LURJTMIESA-N	203.625	-0.094	50	10	BBGE	
CNNC(=O)[C@@H](N)c1cccc(OC)c1	258993938	GHJALVHIUKLFBA-VIFPVBQESA-N	209.249	-0.054	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCCO	300863667	VTXNNDCSDRHGPS-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
CN1CC(NC(=O)NC(=O)CCCl)C1	306392574	GROFKHWRMAOCCI-UHFFFAOYSA-N	219.672	-0.245	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@H](CO)C1	306873674	YCGPSXFTKLQSRH-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
C[C@]1(O)CC[C@H](O)CC1=NNC(N)=O	308364112	FWJCJMHZRVAVKZ-XNCJUZBTSA-N	201.226	-0.694	50	10	BBGE	
C[C@@H](O)CN(CCO)CCOCCCl	379564649	BBKNBSDXYZYBEC-SECBINFHSA-N	225.716	-0.083	50	10	BBGE	
CN1CC[C@@H](N(C)Cc2ccccc2B(O)O)C1	381042262	WCXNJEMPURJPSP-GFCCVEGCSA-N	248.135	-0.498	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O	381544522	JOJVBJBGFNZXIY-XUTVFYLZSA-N	226.232	-0.767	50	10	BBGE	
CCOC1CN(Cc2ccccc2B(O)O)C1	383063378	MPENJBMBYXYQCS-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
CN(C)NC(=O)N1CCC(O)(C(=O)O)CC1	386772214	KAASHLMBIRNFMM-UHFFFAOYSA-N	231.252	-0.916	50	10	BBGE	
O=C(O)c1cc(C(F)(F)F)ncc1B(O)O	390203143	RIEYCUXAUIPJTK-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
OCc1cc(B(O)O)c2c(O)csc2c1	396338978	JCRDCCONTFMHGM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@@H](C)O1	694926912	VFTVHSHEYPVTJV-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](N)C1	695072465	YPBQMDPNSZEZOX-IUCAKERBSA-N	214.313	-0.576	50	10	BBGE	
Cc1cn(C[C@@H]2CC[C@@H](C(=O)NN)O2)c(O)n1	699584960	HRWYSLGHDDMAKJ-YUMQZZPRSA-N	240.263	-0.565	50	10	BBGE	
CNC(=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703457155	IIMXTFZTPSJPQC-BQBZGAKWSA-N	226.232	-0.961	50	10	BBGE	
CN(N)C(=O)CCNC(=O)c1ccco1	704705162	FUGTVZKIDKYKED-UHFFFAOYSA-N	211.221	-0.268	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](CO)C1	708124355	LUKPVORUVJMFAG-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CCOC[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	708275401	ZLNAIJQDPSKTGI-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC[C@H]2CO2)c1	718550778	VZUFSWNHYYQPJA-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721785074	QIHZZOJGXQUUPD-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CCO[C@H](CC)C(=O)NNC(=O)c1cnn[nH]1	729457250	GVIGDIUTMFJOAV-SSDOTTSWSA-N	241.251	-0.619	50	10	BBGE	
CCNC(=O)NNC(=O)[C@]1(C)CCCO1	755237328	KOMFHLWHAANYCK-VIFPVBQESA-N	215.253	-0.094	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1ncccn1	843606573	FHJCWOXJCYXJEE-UHFFFAOYSA-N	224.195	-0.260	50	10	BBGE	
CCOCC(C)=NNC(=O)c1cn(C)nn1	853386956	YBRWCWVJKWBSHF-UHFFFAOYSA-N	225.252	-0.043	50	10	BBGE	
C[C@@H](C(=O)NN(C)C(N)=O)[C@@H]1CCCO1	907187175	NWXICYDXVFONFP-RQJHMYQMSA-N	215.253	-0.157	50	10	BBGE	
Cn1cc(C(=O)NNc2nc[nH]n2)ccc1=O	1161421427	JEFQDOAYKZIPLE-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCOC[C@H]1C	1322018897	VKCYHNFKMFCDLM-RNFRBKRXSA-N	215.253	-0.381	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(CO)nc1	1450944068	IZRBAOIGCMUNGZ-QMMMGPOBSA-N	239.275	-0.469	50	10	BBGE	
CON=CC(=O)NNC(=O)Cc1cc(C)[nH]n1	1469428930	UVHOTJLXRLCRMN-UHFFFAOYSA-N	239.235	-0.960	50	10	BBGE	
COC1(C(=O)NNC(=O)c2ncon2)CCC1	1618115573	BRKHSWYIOOMEGP-UHFFFAOYSA-N	240.219	-0.600	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc(C(F)F)nc1	1650909933	WYYBQPWYAWFNMT-UHFFFAOYSA-N	245.185	-0.228	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H](N)CC(=O)O	1865996491	UHFOLBLTHPRKHX-WHFBIAKZSA-N	208.645	-0.468	50	10	BBGE	
O=C(Cl)C=CC(=O)Nc1nn[nH]n1	1883626917	NHEUPPSBPQJATL-UHFFFAOYSA-N	201.573	-0.540	50	10	BBGE	
Cc1c(C=O)cc(C(=O)O)cc1B(O)O	1887519761	JQTNNGFGRIPJNO-UHFFFAOYSA-N	207.978	-0.814	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@H]1CCCOC1	1888042416	GLEVZAXEMQZUFP-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
N[C@H](C(=O)NC[C@H]1C[C@H]1Cl)C1COC1	1893128116	MRHQQGIUVFUTAD-NJUXHZRNSA-N	218.684	-0.296	50	10	BBGE	
C[C@H](CN1CC[C@H]2C[C@]1(CO)C2)C(=O)NN	1900160669	ARYKUCKUHDPCHK-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
Cc1cn2c(n1)CCN(CC(=O)NN)CC2	1900678673	QEXJCDNEJGRLKZ-UHFFFAOYSA-N	223.280	-0.960	50	10	BBGE	
CN(NC(=O)c1ccccc1N)S(C)(=O)=O	1901372809	CCILRFQYHJDPBU-UHFFFAOYSA-N	243.288	-0.195	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@]1(C)CO	1901764533	SVBAKBKTQBKANH-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@@H](C)[C@H](C)C(=O)NN	1902088557	VACFTDIJFIXYKP-GUBZILKMSA-N	231.340	-0.050	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnsn2)C1	1902514531	WQKHKPSKEYWRSJ-QMMMGPOBSA-N	241.081	-0.383	50	10	BBGE	
CC[C@@](C)(COCC1CN(C)C1)C(=O)NN	1902706042	JZOZJKHIGLCYAL-NSHDSACASA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1[C@H](O)CCN([C@@H](C)CC(=O)NN)[C@@H]1C	1903265789	PPHXJKOIXHSDLS-AXTSPUMRSA-N	229.324	-0.154	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1906340208	LWIBNTCEBFFMAB-YGOYTEALSA-N	241.335	-0.295	50	10	BBGE	
COCCN(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909808385	NBEHYLWLZFZFOQ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)N1CC=C(C#N)CC1	1917111148	YNZJPCDGHJTGGW-QMMMGPOBSA-N	224.216	-0.232	50	10	BBGE	
OC[C@]12CN(C[C@H](O)CCl)C[C@@]1(CO)C2	1928557461	VHXFEKKNICSUQG-BBBLOLIVSA-N	235.711	-0.737	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNCCO	1929835756	XMLDBKUQRWCRMQ-YUMQZZPRSA-N	202.254	-0.728	50	10	BBGE	
Cn1cc(Cl)c(C(=O)NNCCO)n1	1930867666	ZQRORIAIKWMPJL-UHFFFAOYSA-N	218.644	-0.700	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NNCCO	1935228439	ICQAWFYJMVBSNO-UHFFFAOYSA-N	212.253	-0.240	50	10	BBGE	
CCO[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1935942931	YGJWCZYNRWBYTI-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CSC[C@H]2C1	1936531996	HBQARHRIRAZOSO-DTORHVGOSA-N	245.348	-0.712	50	10	BBGE	
NNC(=O)COCCOCC(F)(F)C(F)F	1936533026	KDIUKEXUALQFOP-UHFFFAOYSA-N	248.176	-0.090	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CCC[C@H]21	1937413927	CYJVBJXQNZBPQY-RBXMUDONSA-N	223.276	-0.377	50	10	BBGE	
O=C(NNCCO)c1ccc2c[nH]nc2c1	1937490287	UHIBQVJGBSDSTJ-UHFFFAOYSA-N	220.232	-0.210	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@]12CCOC2	1939729639	YNVUAIOSFZYBQP-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H]2COCC[C@H]21	1940343113	HTLITYSQYLWYSB-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H](O)C1CCN(CC2(C(=O)NN)CC2)CC1	1945884570	SSIUWDUNKPRZBJ-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CC(=O)N(S(=O)(=O)CCl)C1	1953952443	BFDNIWOTJRPXCK-RXMQYKEDSA-N	227.669	-0.240	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)[C@H](O)C1	1954508949	KYNVEEZDOWVKJQ-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(C(=O)CCl)C1	1954844275	ZUBMQJOOXIBDEE-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)[C@@H]2CC[C@H]2N1	1956629969	STYUSLBHLSNPJC-BWZBUEFSSA-N	218.684	-0.451	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CN(C)C[C@@H]1O	1957319032	RJEYWWPJXCOFMO-RNJXMRFFSA-N	220.700	-0.205	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)C(C)(C)CCl)C1	1973958103	UTJIXLZPQIUISF-UHFFFAOYSA-N	248.710	-0.036	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975303129	IXUSEWPBZORGSQ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CCC(=O)NCCCNC(=O)NC(=O)CCl	1976070613	CAJAPDHMJIBCTH-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C)(N(C)C)C1	1976834441	XLWUODNEZYSNLP-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCC[C@](O)(C(N)=O)C1	1976901564	CMOXPUCOHYFISQ-GMSGAONNSA-N	248.710	-0.157	50	10	BBGE	
C[C@]1(F)CCN(c2ncncc2B(O)O)C1	1981414115	NXMXGSJNEFSNFV-VIFPVBQESA-N	225.032	-0.905	50	10	BBGE	
OB(O)c1ccc(OC2CC(CF)C2)nc1	1982814896	RTNWXUVPQPKWIF-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(C2CCC2)C1	1983367862	CIRAXDNNHKZKOU-UHFFFAOYSA-N	225.292	-0.081	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CC2(COC2)C1	1985555206	GGBLFTDJZMJYFG-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
C[C@@]1(Cn2ccc(B(O)O)n2)CCCOC1	1989797414	GMWOJTYYOLTVJJ-JTQLQIEISA-N	224.069	-0.620	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@@H]1F	1990776041	FHLHOMQSFKGZBS-DTWKUNHWSA-N	231.271	-0.024	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)[C@@H]2COC[C@@H]12	1991651673	VEMTZXZVUNLYBO-XLPZGREQSA-N	244.678	-0.508	50	10	BBGE	
O=C(O)CN1CCN(C(=O)[C@@H]2C[C@H]2Cl)CC1	1991681576	BNWCZPSYNCJUEQ-HTQZYQBOSA-N	246.694	-0.158	50	10	BBGE	
C=C(CN1CCC12CCN(C)CC2)B(O)O	1992145087	HWJOPHZZBXECBW-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](C[C@H]2O)C1	1999844963	CBLUDXUKGVIBQR-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1CCN(c2ccc(B(O)O)cn2)[C@@H]1C	2004916796	QCCIWOASNHESKV-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C(F)F)C1	2005018673	WXEZMMYYAKAZHM-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
OB(O)c1cccnc1OCCn1ccnc1	2012465101	GSUPWIVSLMPGNP-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2COC[C@H]21	2013467561	FEUXQBCCCXFXAI-RKDXNWHRSA-N	237.259	-0.286	50	10	BBGE	
OB(O)c1cncc(OCC2[C@H]3COC[C@H]23)c1	2015139167	VQJXFVKLEFUFIG-UWVGGRQHSA-N	235.048	-0.967	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](c2ccncc2)C1	2018126822	RMJPTABGPIGWKF-VIFPVBQESA-N	234.259	-0.613	50	10	BBGE	
COCCN(C1COC1)[C@H](C)CCC(=O)NN	2018180883	BXYDFMNXDBBDMM-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)CCCC1(F)F	2021109606	IMLHFULJCSTNLQ-SECBINFHSA-N	245.034	-0.057	50	10	BBGE	
CCc1occ(C)c1C(=O)NCC#CB(O)O	2021157353	LAZAYGRWYNLPPE-UHFFFAOYSA-N	235.048	-0.104	50	10	BBGE	
CN(C[C@@H]1C[C@]12CCCOC2)C(=O)C(=O)NN	2021195139	PTXHDNQVRTYNCC-KWQFWETISA-N	241.291	-0.749	50	10	BBGE	
OB(O)c1cccc(CN2O[C@H]3C=C[C@H]2C3)c1	2021869446	ZTNYUCJTQCTNHG-RYUDHWBXSA-N	231.060	-0.189	50	10	BBGE	
Cc1ncc(OCC2CN(C)C2)cc1B(O)O	2022091430	QGSVSBLSWQDVSG-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccc(B(O)O)cc2)[C@H]1C	2022195960	DRCWGIOIEYREGH-YUMQZZPRSA-N	233.076	-0.249	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CC[C@H]1COC	2026290118	NUFPXRIBEORHLQ-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C1[C@H]2CC[C@H]12	2041998611	WYTQNEYZRFTAFI-QWRGUYRKSA-N	245.087	-0.361	50	10	BBGE	
CCN1CCN(c2ccncc2B(O)O)[C@@H](C)C1	2052465829	DDCLLPBBGVKRHC-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ncnc(C)c1B(O)O)C2	2052558573	UVCKXRFCAKCYAO-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
Cc1ccc(OC[C@@H]2[C@H]3COC[C@H]32)c(B(O)O)c1	2068627013	DVWDTVWJSJNFKQ-URLYPYJESA-N	248.087	-0.054	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2CSC[C@H](C2)C1	2211692023	UAKIGRVNVABKQW-JIGDXULJSA-N	243.332	-0.376	50	10	BBGE	
C[C@H](CCN)Oc1nccc(B(O)O)c1F	2212608952	NAMMVRHXZWEADP-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@H]1CC[C@H]1C(=O)NN	2215772898	QUTYPSKNYRBZTJ-DJLDLDEBSA-N	242.323	-0.931	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	2215775623	HZUQDXUSWRNNIT-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
COc1ccc(NC(=O)C(C)C)c(B(O)O)c1	2215806418	FGMXCWYNBHJTJS-UHFFFAOYSA-N	237.064	-0.031	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C=CCCC2)[nH]c1	2217175467	JFNOZBTXUKPUNF-SECBINFHSA-N	233.080	-0.654	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1c1ccc(B(O)O)cn1	2217177670	LZBFUXPVURZYMU-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
CN(Cc1ccno1)c1ccc(B(O)O)cn1	2217181511	QVEIMLMWIVVACW-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
N[C@@H](CNc1nccc(B(O)O)c1F)C1CC1	2217182091	YXZPNUUFIXPVEB-QMMMGPOBSA-N	239.059	-0.950	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1nccc(B(O)O)c1F	2217183614	JUWRCEGQIGTRNI-XPUUQOCRSA-N	240.043	-0.653	50	10	BBGE	
CN(CCOc1cc(B(O)O)ccn1)C1CC1	2217189051	XLUZNEWJFLHAFE-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
CC1(C)C[C@@H](Nc2cc(B(O)O)ccn2)[C@H]1O	2217195152	GGVMZNGULCNIKP-PSASIEDQSA-N	236.080	-0.667	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCOC[C@@H]1F	2217199471	MNVWGFHDKHQSEA-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
CCC[C@@H]1C[C@H]1Cn1cc(B(O)O)cnc1=O	2217411674	WUWGLBUWTCQGQK-BDAKNGLRSA-N	236.080	-0.641	50	10	BBGE	
C=CC[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	2223634851	PNDVDVKXXWFVBN-SNVBAGLBSA-N	247.107	-0.051	50	10	BBGE	
NC[C@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223640270	VUDTZBVGZFQPIV-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
N[C@]12CCC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2223643412	VRUNMKDEKWLWRR-CABZTGNLSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H]3C[C@@H]3C2)[nH]c1	2223671947	CBBHQNJHJXHYBY-UTLUCORTSA-N	247.107	-0.574	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1c1cc(B(O)O)ccn1	2223675783	UCBUAXIIGYQHIS-MWLCHTKSSA-N	249.123	-0.710	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2CNC[C@H]21	2223675876	UGTPOIVOGDZODK-IQJOONFLSA-N	247.107	-0.829	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@H](C(=O)O)S1	2241804261	DISAPLHVOCOXSK-PHDIDXHHSA-N	218.278	-0.072	50	10	BBGE	
CCCC1(O[C@@H](C)C(=O)NN)COC1	2242118168	JYVBYOOLSGIGDN-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
C=CCN=c1cc(B(O)O)c(Cl)c[nH]1	2242392613	ZCUBTDIYNOVXKN-UHFFFAOYSA-N	212.445	-0.565	50	10	BBGE	
CCC1(C)CC(CNC(=O)C#CB(O)O)C1	2243356630	KZCZSGVCIDXMSL-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1F	2243363174	BXLYDTHFELEYDM-NKWVEPMBSA-N	231.032	-0.811	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(C1CC1)C1COC1	2243392917	XUJVMSQZUIMKGU-IUCAKERBSA-N	225.053	-0.761	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC(F)(F)C1=O	2243404762	UCKMPBJVCNCHHL-UHNVWZDZSA-N	232.979	-0.757	50	10	BBGE	
C[C@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2243758444	FQVVVMJJPAKCMD-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@@H](F)C1	2244548723	TVASQDWHSGWEAP-RKDXNWHRSA-N	227.044	-0.354	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C(C)C	2247737403	FXEGIQNSXBWLBD-QMMMGPOBSA-N	235.048	-0.653	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CC[C@H]2C1	2247744074	NBXYADYVWDWEKR-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)CN[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797467	JVSKIUNTTKSXEH-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247808713	MBMXMXGXHQLVEH-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2C(=O)[C@@H]1C[C@H]1B(O)O	2247854958	LHRHTOXNNWWPFB-NKIIXMILSA-N	237.064	-0.223	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cncc(B(O)O)c1	2247869438	RKZHWXGMCXNVMW-WRWORJQWSA-N	234.064	-0.710	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)C(=O)C1(B(O)O)CC1	2247870354	IRKNHNRYJWMOCO-DJLDLDEBSA-N	239.080	-0.513	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC(F)C1	2247874057	OGEAGKRYTRSSFV-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCCOC2)[C@@H]1C[C@@H]1B(O)O	2247887132	KQPVRURCOQVETE-LOKLDPHHSA-N	239.080	-0.465	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)C1CC(B(O)O)C1	2247893571	UXZMMSKBUMDXBZ-XNWIYYODSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@H]1CN2CC[C@H]1C2)C1CC(B(O)O)C1	2247904577	QGXXFOAPALSLTN-NFTFJBJSSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H](C)O1	2247910876	RYJSHSPEMMFYOL-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)CCO	2248443297	YRUUVYQEEDMUBE-UHFFFAOYSA-N	237.064	-0.750	50	10	BBGE	
CN(CC(C)(C)C(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248586592	CYPKEPLUZVAPGB-RQJHMYQMSA-N	243.068	-0.582	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C2	2249621928	QNVQMRZVBFTNHW-UBVHSMIISA-N	239.080	-0.467	50	10	BBGE	
CCC1(Oc2nccc(C)c2B(O)O)COC1	2250816218	QUZZGYZRHSRAKK-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
C=CCN(C(=O)c1ncc(B(O)O)cn1)C(C)C	2255471879	ZLFWLNJOKVLDOS-UHFFFAOYSA-N	249.079	-0.807	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)c1occc1B(O)O	2255488840	KPMWECNHZXNNMA-CBAPKCEASA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(C(=O)N2CC3CC2C3)cc1B(O)O	2255509675	NUPWCQUTJOZWHV-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
C=C1CCC(NC(=O)c2c[nH]nc2B(O)O)CC1	2255554694	PTHRSACDSGGQKP-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ncc(B(O)O)cn1	2255590721	IYCZCJBEOHVIQC-SECBINFHSA-N	249.079	-0.829	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1ccc(B(O)O)o1	2255672331	FHVYIEFARFPDSK-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2255683489	XOEOYXYUNLFIJC-GDNZZTSVSA-N	245.087	-0.187	50	10	BBGE	
N=c1ccc(NC(=O)c2occc2B(O)O)c[nH]1	2255746148	RWFWNKUQGNZDQI-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258121855	UUZZYQQNYYYEAP-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)c(C)n1	2258958336	GBCFQVYUDAPRIR-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C12CCC2	2298368648	QBTXAHJTWSZUHR-RYPBNFRJSA-N	238.096	-0.765	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375403	IPCVZCDOUDHZFK-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375670	UZUFNMGJHUYVDR-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
CN1CC[C@H]1COC[C@@H]1CC[C@H](C(=O)NN)O1	2299030015	HASYVPNKSJJZEA-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
C/C(=C/C(=O)N1CCC(B(O)O)CC1)C(=O)O	2299150592	NSVNNHGEAXQFEG-SREVYHEPSA-N	241.052	-0.517	50	10	BBGE	
C[C@]1(O)CON(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300368175	GNRMDQBQFOPWAG-IQJOONFLSA-N	243.307	-0.609	50	10	BBGE	
CC1(F)CN(c2ccc(B(O)O)cc2C#N)C1	2301341246	MZBCLMIIOHLFJO-UHFFFAOYSA-N	234.039	-0.214	50	10	BBGE	
C[C@H](N)CCOc1ccc(B(O)O)cc1C#N	2301366421	DWDKDGVTQWGZCS-QMMMGPOBSA-N	234.064	-0.646	50	10	BBGE	
CC(C)[C@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	2303097237	AHDWVJJKARWHOQ-UWVGGRQHSA-N	242.128	-0.304	50	10	BBGE	
O=C1CCCN1CCCN1CC[C@H](B(O)O)C1	2303101020	FECQVGLEPKFHPW-JTQLQIEISA-N	240.112	-0.452	50	10	BBGE	
CC[C@H](CCO)Nc1cc(B(O)O)c(F)cn1	2303835789	BSNCBBLXRVWTLA-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
CC[C@@H](CO)N(C)c1cc(B(O)O)c(F)cn1	2303847433	JCGIREKUPKYEJP-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303849087	GLEDRLKDUYWXNJ-RCOVLWMOSA-N	240.043	-0.970	50	10	BBGE	
O=C(NC[C@H]1O[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2307489389	UBFBAXGPUACAHK-SRQGCSHVSA-N	239.080	-0.467	50	10	BBGE	
OB(O)c1cncc(OCC2=CCCOC2)c1	2307918055	PXQKCCHNVCHELE-UHFFFAOYSA-N	235.048	-0.513	50	10	BBGE	
CSC[C@H](NC(C)=O)C(=O)N(C)N	39383517	YFKCGSANEAKIHI-LURJTMIESA-N	205.283	-0.814	50	10	BBGE	
NNC(=O)CN1CC[C@@H](N2CCCC2)C1	82469110	CSINQZIHYXBXGV-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	127929993	ZXOHEJBWPYITTQ-KXUCPTDWSA-N	228.340	-0.221	50	10	BBGE	
Cc1ccnc(NNC(=O)Cn2cn[nH]c2=O)c1	189535365	WYILLMQBKJWNCE-UHFFFAOYSA-N	248.246	-0.582	50	10	BBGE	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)CN1	194761151	POSUJDDCGVVCAG-VIFPVBQESA-N	247.254	-0.416	50	10	BBGE	
COC[C@@H](OCC(F)(F)F)C(=O)NN	232417449	YOUMDTZQBYNPII-SCSAIBSYSA-N	216.159	-0.430	50	10	BBGE	
O=C(O)C[C@H](Cl)[C@H]1NC(=O)NC1=O	238644190	YZIARTBNSQTGFS-ZAFYKAAXSA-N	206.585	-0.724	50	10	BBGE	
O[C@@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1Cl	257501724	OFZRLVSQPBQNQB-OJEIPOMOSA-N	220.652	-0.292	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H]1CCO	304475260	BCGSLAJAYPAKQT-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cc(Br)c(F)cc1O	306377203	NRCGCGXIDILZGY-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
OC[C@]1(O)CCN(c2nnc(CCl)o2)C1	306380418	JPOXECBENNJRGD-QMMMGPOBSA-N	233.655	-0.258	50	10	BBGE	
C[C@]1(O)CCC/C(=N/NC(N)=O)[C@H]1O	307668584	KOLJHRKQGBHBCP-ORRWNSOMSA-N	201.226	-0.694	50	10	BBGE	
CC(=O)NNC(=O)c1cc(Br)[nH]n1	307708677	JTSRAJJMFYIMHC-UHFFFAOYSA-N	247.052	-0.047	50	10	BBGE	
CN(C)S(=O)(=O)N(C)C[C@H](O)CCl	308222011	OPVFZUMFDJONOZ-ZCFIWIBFSA-N	230.717	-0.676	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@H](N)C1	310060512	NHLAOUCHGCVBGN-QMMMGPOBSA-N	235.291	-0.782	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C[C@H]1C	384991325	CKLYZFPTGUNEEP-RYPBNFRJSA-N	215.297	-0.544	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCN(C)C1)C(=O)NN	389609536	APQSGQNNBXHFCU-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
COc1cc(C(F)(F)F)cnc1B(O)O	396099530	CNXPOJUEUXTEQM-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
COC(=O)CCc1cccc(C#N)c1B(O)O	396113750	TVLMGJBJZYHDNH-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
COC(=O)c1cccc(CCC=O)c1B(O)O	396136084	HEWQNVIRTGPCBM-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1ccc(C(=O)O)c2scc(B(O)O)c12	396237562	GAQCIQSUFMOLOR-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCCC[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396457405	KOYPAQSZRSJMQL-VXGBXAGGSA-N	237.108	-0.083	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@H](N1CC(=O)OC(=O)C1)C2	401980667	OWPWUKQZZXLBBE-LPEHRKFASA-N	238.287	-0.146	50	10	BBGE	
COC(C)(C)C(=O)Nc1cccc(B(O)O)n1	404958237	IAYYCJOJSWCACA-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@H](NC(=O)NC1CC1)c1cccc(B(O)O)c1	405152076	SNPOHXGUIMYZSE-QMMMGPOBSA-N	248.091	-0.111	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1ncc(B(O)O)s1	575597591	ICNGZVBYVLHGMP-ANLVUFKYSA-N	240.093	-0.193	50	10	BBGE	
Cn1cc(Cl)cc1C(=O)NNC(N)=O	606284981	WOOLKPQIAXWSIR-UHFFFAOYSA-N	216.628	-0.008	50	10	BBGE	
C[C@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@@H](C)[C@@H]1O	688121128	CDLJUNUMEREPBV-OGBGREFGSA-N	243.351	-0.050	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(n2cccn2)C1	707398670	GYLURRUXVRVROF-VIFPVBQESA-N	223.280	-0.492	50	10	BBGE	
CN(Cc1ncnn1C)C[C@@H](Cl)C(=O)O	707611391	VBFKWXIPLLBTDU-ZCFIWIBFSA-N	232.671	-0.061	50	10	BBGE	
C#C[C@@]1(O)CCN(C(=O)NC(=O)[C@H](C)Cl)C1	708105399	ZGCHXMKUPUTIGR-OIBJUYFYSA-N	244.678	-0.080	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNCCC1(F)F	717279226	MXBOIMQLOKXJTI-LURJTMIESA-N	207.224	-0.176	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNS(=O)(=O)CCCCl	717373657	ADFUGIDZHCSBGC-RQJHMYQMSA-N	245.728	-0.724	50	10	BBGE	
C=C[C@@H](CO)NS(=O)(=O)CCCl	717535048	SJNCLFFEEISYIF-LURJTMIESA-N	213.686	-0.309	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCS[C@H](CCO)C1	720090555	NTPANSBAOODCFB-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@H](C)C(=O)NN	724142923	WBASAGUREOXABI-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)c1nc(CO[C@@H]2CCOC2)ns1	724345059	GARLBFFTNFBGOK-RXMQYKEDSA-N	244.276	-0.553	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(CN(C)C)nc1	773702836	VGKACZNWNJRWPM-UHFFFAOYSA-N	236.275	-0.076	50	10	BBGE	
COC(=O)CNC(=O)NN=C1CO[C@H](C)[C@@H]1C	844590676	UADCYIYUKFNYAU-NKWVEPMBSA-N	243.263	-0.131	50	10	BBGE	
Cc1cc(C=NNC(=O)[C@@H]2COCCO2)on1	857208847	JYSWSLLLMIVUIL-VIFPVBQESA-N	239.231	-0.151	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1	862460924	LHQMTQRQGCYRBK-BWZBUEFSSA-N	239.275	-0.542	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	902551355	DKDKMQMUTYDLQE-YIZRAAEISA-N	227.069	-0.513	50	10	BBGE	
CNC(=S)N(C)NC(=O)C12CCN(CC1)C2	909992272	TYNOLGBRCHTEKW-UHFFFAOYSA-N	242.348	-0.451	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cnnc(O)c1	1163323807	VYZAMVUEWMUYNN-ZCFIWIBFSA-N	226.236	-0.860	50	10	BBGE	
Cc1cc(C(=O)NNc2nnc(C)n2C)n[nH]1	1261830112	KRXDLPPGDZCNMT-UHFFFAOYSA-N	235.251	-0.088	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1	1528833023	QGRUGCCQAZRLMB-NXEZZACHSA-N	244.254	-0.069	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F	1567920017	UAPPYWLHCQCOAI-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
CC(C)(C)[C@H](O)C(=O)NNC(=O)c1ncon1	1636447940	NXZQPSFCWIGDFA-RXMQYKEDSA-N	242.235	-0.762	50	10	BBGE	
N[C@@H](CBr)[C@@H]1CNCCOC1	1880234823	UUTSRKIWRLKKFN-RQJHMYQMSA-N	223.114	-0.055	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@H]1C[C@@H]1Cl	1883639278	LGYBFOWBIWMZTQ-IMJSIDKUSA-N	201.617	-0.557	50	10	BBGE	
CSSCCNC(=O)C1(O)CC(N)C1	1886210314	NJQMAZQDHPFKQM-UHFFFAOYSA-N	236.362	-0.034	50	10	BBGE	
C#Cc1cc(C(=O)O)cc(B(O)O)c1C	1887519256	VWFZVAGLZFXPPT-UHFFFAOYSA-N	203.990	-0.646	50	10	BBGE	
Cc1c(CN)cc(B(O)O)cc1CN=[N+]=[N-]	1887521119	ROFIKHBDMMPFBG-UHFFFAOYSA-N	220.041	-0.056	50	10	BBGE	
CON(C)CCC[C@H]1C[C@H]1C(=O)NN	1887613702	QQYVKUKRHIMKRQ-JGVFFNPUSA-N	201.270	-0.114	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCCN	1888598924	OLCNKRUVEFHCQG-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
CNC(=O)CN(C)C(=O)/C=C/C(=O)Cl	1893497219	DCYDZGJVHMYHMG-ONEGZZNKSA-N	218.640	-0.488	50	10	BBGE	
C[C@@H](O[C@@H]1CCCN(C)C1)C(=O)NN	1895025819	OKWPASIONLTCOK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)[C@H]1C1CC1	1896248616	DWYZWUPUKRXGSV-MWLCHTKSSA-N	227.308	-0.398	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCCOC1CNC1	1900368041	FZHCMSOPEJJLBJ-UHFFFAOYSA-N	246.694	-0.197	50	10	BBGE	
CC(C)(C)ONC(=O)c1cnsc1B(O)O	1900454211	IVSXELRNMHJTRT-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)S(C)(=O)=O	1900502369	TZTKWTORATYCCG-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CCN(CCO)CCC[C@H]1C[C@@H]1C(=O)NN	1900529623	XVWYYQOCGXPMLO-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCO2)ccc1F	1901307399	PSDPERXRWMJGTI-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCN[C@@H]1C	1901343298	BPCAYASTKIUBFU-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCC[C@H]1N	1901344899	XZVQGXMBTXITQG-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2C[C@]23CCOC3)C1	1902506086	OXALDFKKKXPUGX-MXWKQRLJSA-N	225.097	-0.038	50	10	BBGE	
CC1(Oc2cc(B(O)O)c(F)cn2)COC1	1903024120	PDHHRCHBDKMJJX-UHFFFAOYSA-N	227.000	-0.932	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CC(OC)C1	1914814437	OTMAKMRTOADOMW-AMDVSUOASA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](Cl)C(=O)N(CCO)C1COC1	1915688223	GYHGTBQZRPIYSF-ZCFIWIBFSA-N	207.657	-0.167	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NN	1927824577	IMZLKCOVEDWJIK-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
N=c1[nH]nc(SC[C@H]2C[C@H]2C(=O)NN)s1	1927918000	OKEWJMPWKMBSLG-QWWZWVQMSA-N	245.333	-0.331	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1COC[C@H]1CO	1928736310	UERWNLPGKSFXLA-XVMARJQXSA-N	207.657	-0.263	50	10	BBGE	
O=C(NNCCO)c1cc(C2CC2)on1	1929832265	PNLTWGUENRPDQB-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
N#C[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1931266141	AYBXKJOEENZMNT-QMMMGPOBSA-N	208.265	-0.398	50	10	BBGE	
O=C(CCl)NC(=O)NCC1COC1	1933420689	BBPWFMZFRJOTLE-UHFFFAOYSA-N	206.629	-0.303	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCl)C(=O)N(C)C	1934962700	ZGYYNYRGUCVQFZ-LURJTMIESA-N	242.728	-0.031	50	10	BBGE	
CN(C[C@H](O)C1CC1)CC(F)(F)C(=O)NN	1935940549	DCGOSBIAUMBUFA-ZETCQYMHSA-N	237.250	-0.686	50	10	BBGE	
CCOCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936095260	VJXKYWRASRRRMZ-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1cnn(CCCOC2CCC2)c1	1936332681	IHRWQRCFLNOHJC-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
CN(C)[C@H]1CN(Cc2nnnn2C)C[C@@H]1Cl	1936883116	RSXNFUPSMDKYEZ-YUMQZZPRSA-N	244.730	-0.437	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](CO)C[C@H]1C	1939637939	KREZTTOJRISUAH-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
OB(O)C1CCN(Cc2csnn2)CC1	1951321629	AJLQLAWPYHCGCR-UHFFFAOYSA-N	227.098	-0.023	50	10	BBGE	
CS(=O)(=O)C[C@@H](Br)CO	1951555049	JNGGYSXKUQTYFF-BYPYZUCNSA-N	217.084	-0.213	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1C[C@@H]1CCl	1955090461	JEQJJDBKLKWZPO-PHDIDXHHSA-N	215.644	-0.583	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)C[C@H](CO)O1	1956256080	IPOFUFBOVXTPOK-HRDYMLBCSA-N	223.700	-0.332	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@H](N)C[C@H]2O)CC1	1960359952	YWIIHIOUOYKQPX-HBNTYKKESA-N	207.277	-0.007	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCCCCC(=O)NN	1960618388	NVNWNTNHXNINEX-HNNXBMFYSA-N	236.341	-0.279	50	10	BBGE	
CO[C@H](CCCl)CNCc1nnnn1C	1960986252	QCZLTVLIIPJOJA-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H]2C[C@H]21	1961509816	VZPASGRSMVVTCO-BGZDPUMWSA-N	211.265	-0.915	50	10	BBGE	
CCCOC1CN(CC(F)(F)C(=O)NN)C1	1976058498	NWNXDLLSRNZUSD-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(C1CC1)C1COC1	1977188428	PGEOPFFHYODSCC-XVKPBYJWSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C2(CCC2)C1	1978832040	MJPUHADPPFOTPA-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC(C)(F)F	1981155568	SFXWBJLVFCGONV-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
Cc1ncnc(N(C)C2(C)CC2)c1B(O)O	1981445278	FZLFTPZALITKGT-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
Cn1cc(Sc2ncccc2B(O)O)cn1	1981455356	ZRSNOXABPCSPBL-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1N=c1[nH]nc(CCl)o1	1982021621	TVVWRRHPMLKYEG-INEUFUBQSA-N	246.654	-0.715	50	10	BBGE	
CC[C@@H](C)n1cnc2c(B(O)O)ncnc21	1982867299	ZZCVHEOKKNVTCK-ZCFIWIBFSA-N	220.041	-0.523	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC[C@@H]3O)C2)CC1	1984541644	CRGLRWZJZDNPLH-QMMMGPOBSA-N	225.292	-0.787	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCn1cccn1	1986445580	NAPUZMDKDWJHNP-RKDXNWHRSA-N	224.264	-0.474	50	10	BBGE	
CCN(CCF)c1ncnc(C)c1B(O)O	1986592070	LXQQOLRZQLXSLG-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C(=O)OCCl)C2)N1	1986670021	RVSWCPZMIMXJJC-YFKPBYRVSA-N	247.638	-0.541	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1	1989170174	FTGGZJSXEIXEJB-PUMMZQCMSA-N	218.065	-0.535	50	10	BBGE	
COC[C@]1(C)CCCN(C(=O)C(=O)NN)C1	1989522903	MKGFNBZJSAZYSK-SNVBAGLBSA-N	229.280	-0.749	50	10	BBGE	
Cc1cccc(C(=O)NCC#CB(O)O)c1	1992168358	ZDEIFRWRRDOICL-UHFFFAOYSA-N	217.033	-0.260	50	10	BBGE	
C[C@H]1CCN1C[C@]12C[C@](C(=O)NN)(CO1)C2	1993891145	NCJMROWTUYWSLC-LSJOCFKGSA-N	225.292	-0.380	50	10	BBGE	
NNC(=O)C1(CN2C(=O)C[C@]23CCOC3)CC1	1996643232	GFLBEQUHLLIDKS-NSHDSACASA-N	239.275	-0.852	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2CC(F)(F)C[C@H]2C1	1997627031	BNHRLCSPNFCPEU-ZMONIFLSSA-N	247.245	-0.084	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CN(C)C2	1997866894	XIJDACMJKJGQRV-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
CCN1CCN([C@H](COC)C(=O)NN)[C@H](C)C1	1998400569	GYBVFCQMRACIGK-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C[C@@H]3O)C2)CC1	1999848962	VXDZGKLGQMUKJB-UTLUCORTSA-N	239.319	-0.541	50	10	BBGE	
CO[C@H]1CC(=O)N(CCC(C)(C)C(=O)NN)C1	2003020009	SFLPPMNIWDDRDU-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
Cc1nnc2n1CCN([C@@H](C)CC(=O)NN)C2	2003921395	DJFZBSCTNSVPLQ-ZETCQYMHSA-N	238.295	-0.829	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](F)[C@@H](F)C2)n1	2005013888	CFBSFKGXTTUMNN-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
Cc1ncnc(N(CC2CC2)C2CC2)c1B(O)O	2052553775	LQNXFSRVZMMZBF-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
CCN1CCN(c2nc(C)ccc2B(O)O)CC1	2052624192	PTGIVKPOYLMIKH-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
CCOc1c(B(O)O)cnn1CC(C)C	2059954844	MYMUERVAXQXWOO-UHFFFAOYSA-N	212.058	-0.382	50	10	BBGE	
O=Cc1cc(B(O)O)c([N+](=O)[O-])cc1Cl	2060133437	BCYDHAYKFHHXQJ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccc(B(O)O)cc1	2079008138	FEXYKCJGUSPTJK-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1cc(B(O)O)ccn1	2212602528	FVBMWKOKEPOYTJ-APPZFPTMSA-N	222.053	-0.649	50	10	BBGE	
CCC[C@@H](CN)Oc1ccc(B(O)O)cn1	2212609029	XWELBYRNNUQTIT-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
OB(O)c1cccnc1NCCOC(F)F	2212615948	XEYOSJSUEMUTKZ-UHFFFAOYSA-N	231.995	-0.588	50	10	BBGE	
CC1(C)C[C@H](O)CN1CC1(C(=O)NN)CCC1	2216535374	ZMTHRTWPADVDSZ-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CC1(C)[C@@H](Nc2ccc(B(O)O)cn2)C[C@H]1O	2217177257	HGCXSEIWXFPASO-DTWKUNHWSA-N	236.080	-0.667	50	10	BBGE	
OC[C@@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217177478	JMIAMHIBOZMTGW-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H](CN)CCCOc1ccc(B(O)O)cn1	2217178828	BGWDKDFOROMBHV-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217180260	GGHJNWAGHVHFRC-DTWKUNHWSA-N	238.096	-0.095	50	10	BBGE	
N[C@H]1C[C@H](CCOc2ncccc2B(O)O)C1	2217194626	BMYQJJXDUHMZRJ-KYZUINATSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@@H](O)[C@H]3C2)c1	2220065840	GIXMBHLHYMLQIU-WCFLWFBJSA-N	247.103	-0.821	50	10	BBGE	
CN1CC[C@H](Nc2cc(B(O)O)ccn2)C1(C)C	2223628223	QCDDNOKNVICOKC-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
NC[C@@H]1CCCCN(c2cc(B(O)O)ccn2)C1	2223635193	UBUJFUOJDPKPHS-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1c1ncccc1B(O)O	2223640826	YSEOYYGCYGFQHI-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
C#CCN(c1ncc(B(O)O)cn1)C1CCCC1	2223654168	XVQCAPAESIWVNG-UHFFFAOYSA-N	245.091	-0.461	50	10	BBGE	
OB(O)c1ccnc(OC[C@@]23CC[C@@H](CN2)C3)c1	2223656736	QPQBFQDQYJGQCV-SKDRFNHKSA-N	248.091	-0.718	50	10	BBGE	
COCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2241475185	SHHXJHPUKKALCJ-LJGSYFOKSA-N	201.031	-0.998	50	10	BBGE	
Cc1sc(C)c(S(=O)(=O)O)c1B(O)O	2241493026	IQXQXRSTYMEPIZ-UHFFFAOYSA-N	236.079	-0.709	50	10	BBGE	
C=CCCOc1nc(OC)ccc1B(O)O	2243086464	PIPMKEGREPTZHK-UHFFFAOYSA-N	223.037	-0.275	50	10	BBGE	
C[C@@H]1CCC[C@@H](C)N1NC(=O)C#CB(O)O	2243356085	BEQWPDCMKFYTOV-RKDXNWHRSA-N	224.069	-0.704	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1occc1B(O)O	2243365727	QZWNFXUWDPVFPN-VDTYLAMSSA-N	227.000	-0.953	50	10	BBGE	
CC(C)N(CCN)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396491	MYUMDFFVCIIMHL-KYZUINATSA-N	228.101	-0.565	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1csnc1B(O)O	2243397770	IVKDPGPBFHPCHF-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
CC1(C)[C@H]2C[C@H](NC(=O)C#CB(O)O)C[C@H]21	2243399193	JWWVIXVGISOGJB-PSVAKVPMSA-N	221.065	-0.447	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2ncsc2C1	2243404815	UXDQIYDJLXEMCH-RITPCOANSA-N	238.077	-0.152	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)[C@@H]1C[C@@H]1B(O)O	2243414590	DLNBXTRMKKOCFE-HLTSFMKQSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415862	DIRQYKVZSCCBQM-MAUMQABQSA-N	226.085	-0.894	50	10	BBGE	
CC(C)N(CCCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243427627	YGGUJSKNLWLHFT-IUCAKERBSA-N	229.085	-0.531	50	10	BBGE	
C=C(CS(=O)(=O)NOCC1(C)CC1)B(O)O	2243434030	TYXCGLCQSLKGIY-UHFFFAOYSA-N	249.097	-0.794	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CN(C)C(=O)C(=O)NN	2243810882	NTXFCUOZBISVOQ-XCBNKYQSSA-N	229.280	-0.893	50	10	BBGE	
O=C(c1ccno1)N1CCC(B(O)O)CC1	2244179805	GGQJEAQGAVYMCZ-UHFFFAOYSA-N	224.025	-0.246	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ncsc2CC1	2244601098	CRKUADLVDKGMOQ-SSDOTTSWSA-N	240.332	-0.078	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@H](C)CC(=O)NN	2244884671	XATOMTDXTHNCQO-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
CN1CC2(CN(C(=O)OCCl)C2)OCC1=O	2245326523	CMJBVDGGUJPCKW-UHFFFAOYSA-N	248.666	-0.138	50	10	BBGE	
CC#CCOCc1c(C(=O)NN)cnn1C	2245363804	WGRFMYQHXVXVRT-UHFFFAOYSA-N	222.248	-0.437	50	10	BBGE	
Cc1nc(CN(C)C(=O)C2(B(O)O)CC2)n[nH]1	2247757907	YGZHTHVDPUZNTF-UHFFFAOYSA-N	238.056	-0.921	50	10	BBGE	
CC=CCCCNC(=O)c1n[nH]cc1B(O)O	2247783974	NRJMABAYXKURNZ-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786649	DRIDIZKOIHUZRG-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H](CO)C1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247787788	UUKILEMTJOQXEP-AEJSXWLSSA-N	241.096	-0.483	50	10	BBGE	
CCN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2247808338	KTOBHEQRNAIPQH-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247810594	YQYUTUHMPWMENL-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H]1CNCCCN1C(=O)C1(B(O)O)CC1	2247853390	LMKUIJRQTYXVSG-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC1(C)CC(CO)(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247859744	ORPJROALXBULPL-SFYZADRCSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1ccoc1B(O)O	2247866071	FZQKGGTUCYUMIN-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
COCC(C)(C)NC(=O)c1coc(B(O)O)c1	2247870529	LDHBPBRNTDAWPL-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
NCC1CCC(NC(=O)C2(B(O)O)CC2)CC1	2247877547	ICLHJWXZDNHERO-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CC2)C2(CCC2)C1	2247879090	QEHXSLDAQCGXJN-QMMMGPOBSA-N	238.096	-0.524	50	10	BBGE	
CN(C)C1[C@H]2CN(C(=O)C3(B(O)O)CC3)C[C@H]12	2247879872	YNFBCSRWISLXBI-YUMQZZPRSA-N	238.096	-0.988	50	10	BBGE	
CC[C@H]1CNCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247893968	ATOQRKYBZFUIRK-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]2C[C@H]21	2247895368	RKJAZZNWQRVKHR-RGOKHQFPSA-N	238.096	-0.846	50	10	BBGE	
COC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895819	VNENJKLUTHENND-RQJHMYQMSA-N	243.068	-0.835	50	10	BBGE	
O=C(NC1(CCCO)CC1)[C@H]1C[C@H](B(O)O)C1	2247896688	JDHWHWLBJXSVMS-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
CN(C[C@@H]1CCCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2247898419	DGMRJKCASYMALG-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C2	2247899440	NJBGGXHVCFBDQL-CQKCGHAMSA-N	239.080	-0.467	50	10	BBGE	
CC1([C@H](CO)NC(=O)C2CC(B(O)O)C2)CC1	2247902836	HSGOTSATKUBWPI-HACHORDNSA-N	241.096	-0.483	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@]12CCOC2	2247903350	JSJQHLQPKIRQAA-NWGYLPEXSA-N	239.080	-0.369	50	10	BBGE	
C[C@@](CN)(NC(=O)C1CC(B(O)O)C1)C1CC1	2247910889	RZNIYSIAOFCHQN-FBUXNDKQSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)Nc1cccc(B(O)O)c1	2247974339	VYRMIHUGDDVNMS-OIBJUYFYSA-N	234.064	-0.104	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@H]2CC[C@H]1O2	2248368559	PZXVKHFRWMTJSI-DJLDLDEBSA-N	241.291	-0.465	50	10	BBGE	
O=C(O)CCCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2248577962	QNAUIAGIOLLOKM-SFYZADRCSA-N	243.068	-0.390	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@H](C)CF	2249306800	CVBSAGZYDPKKSR-ZCFIWIBFSA-N	243.043	-0.302	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1cc(B(O)O)co1	2249415942	KXZXBHIWFRQTBK-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2249416082	MTPCZRVKVJVKHI-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2249576516	OHSPKHITZTVVNV-WSOSLHDDSA-N	239.319	-0.685	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@H](C)CN(C)C	2250914505	GPVYKMQCQADIIV-NXEZZACHSA-N	240.112	-0.906	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3C[C@@]3(C)C2)n1	2254696931	OGPFQCPKJPWCND-UFBFGSQYSA-N	248.091	-0.384	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1	2255445241	SSEJEISPLICPTD-AYMMMOKOSA-N	249.075	-0.204	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1cnoc1	2255514402	IEXOPJHIJWYTKF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(F)c(B(O)O)c1	2255514781	NJWXBDFUADPMJB-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)n[nH]1	2255551637	AEBZJUZFTNKBQH-HTQZYQBOSA-N	249.079	-0.992	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)c1ccccc1	2255571614	QHBUGIJMNJVMOF-HBNTYKKESA-N	248.091	-0.335	50	10	BBGE	
O=C(NC1CCCCC1)c1cncc(B(O)O)c1	2255709849	BVZHRFUEZAJXOU-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
C[C@H]1CCN(C(=O)c2nccnc2B(O)O)[C@@H]1C	2256059156	VMUBXBOVAPPTGQ-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H](C)C1CC1	2257491467	NDJBQBJOHQXCRS-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CNCC1(C)C	2261238190	ZGSGKTIASWPELH-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1CC(F)(F)C(=O)NN	2299330414	BZRMKVCESBOHCR-JGVFFNPUSA-N	249.261	-0.377	50	10	BBGE	
CC(C)(CN1C[C@@]2(CO)CC[C@H]1C2)C(=O)NN	2299758616	PYVMNJXIYJMBFR-JOYOIKCWSA-N	241.335	-0.151	50	10	BBGE	
N#C[C@H]1CN(CCCC(=O)NN)[C@H]2CCN1C2	2303227733	ILDXGTKHRCJJOD-UWVGGRQHSA-N	237.307	-0.961	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1ccc(B(O)O)cn1	2312612384	UTVFMQHPCBXKSI-HLFFCZDVSA-N	247.107	-0.701	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cc1C#N)[C@@H](C)O	2317152065	XXUKTESXLVWOQW-KCJUWKMLSA-N	248.091	-0.191	50	10	BBGE	
CC[C@@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2317152265	ADGVNHJSRLFKDR-NSHDSACASA-N	248.091	-0.555	50	10	BBGE	
C[C@H](CCC(=O)NN)O[C@H]1CCOC1	82465501	WWOXYMSPQHNUSY-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCN(C)C1	82468772	IXSQBDWVACGCPP-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CC1CCN(c2cnc(B(O)O)cn2)CC1	198083486	RISDOTDLCHJZFI-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
[N-]=[N+]=NC[C@H]1Cc2cccc(B(O)O)c2O1	225671607	PZQQEYRDNOIDEB-SSDOTTSWSA-N	219.009	-0.020	50	10	BBGE	
COC[C@H]1CCCN(CC(=O)NN)C1	234727546	QQYZCJCLLIHEQP-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
O=C1NC2=C(C(=O)OC2)[C@@H](CCl)N1	238508367	PYCQBQHIESAHQE-GSVOUGTGSA-N	202.597	-0.283	50	10	BBGE	
Nc1ncnc2c1ncn2CCN=C=O	238704843	FWPQSHQVKRIIOG-UHFFFAOYSA-N	204.193	-0.256	50	10	BBGE	
CNC(=O)[C@]1(C)CCN([C@H](C)CC(=O)NN)C1	300712399	IDMBVYHUJTZNEJ-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
CO[C@]1(C)CCN([C@@H](C)C(=O)NN)C1	306370292	GIQSBLJYCRVVEM-IONNQARKSA-N	201.270	-0.524	50	10	BBGE	
NCC(=O)N1CCC(C(=O)Cl)CC1	306887447	UMBROXVODDVYRL-UHFFFAOYSA-N	204.657	-0.051	50	10	BBGE	
CCCCCNNC(=O)[C@H]1COCCN1	309817020	BOLXERLSWDYPHE-SECBINFHSA-N	215.297	-0.214	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@](C)(CN)C1	380809227	JHWRNFHDYBBNPQ-KKZNHRDASA-N	228.340	-0.328	50	10	BBGE	
O=S(=O)(CCl)NCCn1cncn1	381951444	WODXETJWCLIOIN-UHFFFAOYSA-N	224.673	-0.606	50	10	BBGE	
COC(OC)[C@H](O)C(C)=NNC(N)=O	383917878	GJZSWTLFJXOFEU-RXMQYKEDSA-N	205.214	-0.990	50	10	BBGE	
CCN(CC)C1[C@H]2CN(CCC(=O)NN)C[C@H]12	384323745	WONYEBQQMGMCSK-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388232247	YHWJUPYBNBIOGG-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@@H]1O	388616434	MZBDPCLIVMWANT-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
Nc1cc(B(O)O)cc2sc(C=O)cc12	396255680	MQFLDVZCPNLRRH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=Cc1sc2ccc(B(O)O)cc2c1CO	396337053	NHYSPSQAIUIKJB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=Cc1c(CO)ccc2c(B(O)O)csc12	396355340	HEPSNPARXFALQL-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CON(C)C(=O)CNC(=O)CBr	397538988	TZYVKRKQZBYIJB-UHFFFAOYSA-N	239.069	-0.483	50	10	BBGE	
CC[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1O	399952071	YKTRCNUOANMDEH-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1cccc(B(O)O)n1	404958991	JHOLYFMKXIXLLY-QMMMGPOBSA-N	236.080	-0.008	50	10	BBGE	
C=CCNC(=O)Nc1cc(C)ccc1B(O)O	405097078	YAHRSJFZTDYFBG-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
O=C(CCl)N1CCN2C[C@H](O)C[C@@H]2C1	405633458	ASMKJDGFSQQXEM-HTQZYQBOSA-N	218.684	-0.497	50	10	BBGE	
N=C1NCNN2CC[C@@H](Br)[C@@H]12	605644624	TWBRWZUYUVFXOT-UHNVWZDZSA-N	219.086	-0.133	50	10	BBGE	
C[C@H](CN1CCC[C@@](C)(CO)C1)C(=O)NN	688027503	VMJJYQYWWUWRGO-MWLCHTKSSA-N	229.324	-0.293	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@]12COC[C@H]1C2	689167372	XADXDVSQRNAYCX-BRDIYROLSA-N	247.678	-0.081	50	10	BBGE	
O=C(NC1CS(=O)(=O)C1)OCCl	692864318	SWBGDNDSINZNCM-UHFFFAOYSA-N	213.642	-0.294	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)C[C@](C)(C(F)F)O1	698921540	ZMGTYSLHAIJTRM-HZGVNTEJSA-N	237.250	-0.279	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC12CCC2	706420622	QZHYLNFEGQFMPS-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CCO[C@H]1CCN(C[C@H](C)C(=O)NN)C1	706445426	FLJPODWUGBEUKH-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@]1(O)CCCN(CC(=O)NNC(C)=O)C1	710636949	XFOXRIVZPVJHLO-NSHDSACASA-N	243.307	-0.609	50	10	BBGE	
CN1CCC[C@@H]2[C@H]1CCN2CC(=O)NN	720446245	OCSIFDVPXVDIQI-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CCOCC1CC1	751389564	SBMUFJOJIFPEKM-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1nccn1C	779823107	JVLSHZKJMCYUGB-UHFFFAOYSA-N	239.235	-0.774	50	10	BBGE	
CC(=O)NNC(=O)Cn1ccc(C(F)F)n1	858109077	MIEBPVNYIBRRFJ-UHFFFAOYSA-N	232.190	-0.012	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ncc(F)cn2)CO1	860462822	CRQRJAUFEDPCLQ-YFKPBYRVSA-N	241.182	-0.833	50	10	BBGE	
C#CCNC(=S)NNC(=O)[C@H]1CC[C@@H](C)O1	863221954	MNHBUNRSVDBURX-HTQZYQBOSA-N	241.316	-0.318	50	10	BBGE	
C=CC[C@H](NNC(=O)c1cn[nH]c1)C(=O)OC	905773516	IQCNIKYELWXMTJ-QMMMGPOBSA-N	238.247	-0.238	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1n[nH]cc1F	908380140	JECLZOJMMZBLGL-ZCFIWIBFSA-N	242.210	-0.511	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)C[C@H](C)O	910139477	AHIHLFYYTVTRGR-QLFXJFTPSA-N	202.254	-0.733	50	10	BBGE	
CCNC(=O)NNC(=O)[C@]1(C#N)CCCOC1	1292130196	BQFIULVMFORUEZ-JTQLQIEISA-N	240.263	-0.343	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC1(CO)COC1	1545996135	KDKLLDANXVFDAV-RUDMXATFSA-N	240.259	-0.445	50	10	BBGE	
O=C(CCc1ccncn1)NNc1nc[nH]n1	1654622389	WXUUAKDIZYNLAK-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@@H]1C	1885871590	GTNXHQZINKCUFJ-XLPZGREQSA-N	201.270	-0.934	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2C[C@H](O)C[C@H]21	1886576804	UTXMDUUJFRKJDX-BWZBUEFSSA-N	219.668	-0.024	50	10	BBGE	
CN(C)NC(=O)[C@@]1(O)C[C@H]1C(F)(F)F	1892574934	NPPYYADHVOVJFY-INEUFUBQSA-N	212.171	-0.108	50	10	BBGE	
O=C1CCN(C(=O)[C@H]2C[C@H]2Cl)CCN1	1893469248	HBNQCJFRQIJMSV-NKWVEPMBSA-N	216.668	-0.038	50	10	BBGE	
NNC(=O)N1C[C@]2(CO)CCC[C@]2(F)C1	1893945018	AXEKEZNWWIDSOD-IUCAKERBSA-N	217.244	-0.244	50	10	BBGE	
CN1CCC[C@H]2CCN(CC(=O)NN)C[C@H]21	1899573625	GGWLBNYBDZSGOT-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
C#C[C@@H]1N(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	1899889871	VUGCGPJJJDTUNI-VGMNWLOBSA-N	221.065	-0.281	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	1901250973	KOAKGLZBWOFXPC-JGVFFNPUSA-N	226.255	-0.450	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1CO2)C(=O)NN	1902716710	WFRRVTOMBILNRX-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1909988402	SQAHHAUPJYGUII-ZYUZMQFOSA-N	237.303	-0.260	50	10	BBGE	
Cn1nnc2c(C=CB(O)O)cccc21	1911729326	YTIPINCNIWFDID-UHFFFAOYSA-N	203.010	-0.007	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1ncccc1B(O)O	1913595500	KDPYKHMTJXTACK-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
COC(C)(C)C(=O)Nc1ncccc1B(O)O	1913662885	GCZZMPQPZQLEJZ-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1ncccc1B(O)O	1913669744	RVOAWVZAAHREOU-ZETCQYMHSA-N	237.068	-0.319	50	10	BBGE	
CC(C)[C@@H](SCCNCCN)C(=O)NN	1923484475	VAKVBHSUNZIBGS-MRVPVSSYSA-N	234.369	-0.718	50	10	BBGE	
CCN(CCOC)C[C@@H]1C[C@@H]1C(=O)NN	1927913597	KZGMZMPMBAKRDV-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](CN1CC[C@]1(C)CO)C(=O)NN	1932967361	MFZINYLXZIGDTR-IONNQARKSA-N	201.270	-0.931	50	10	BBGE	
Cn1cnnc1[C@H]1CS(=O)(=O)C[C@H]1Cl	1934445475	JCMDLBIYCBDZKV-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
CO[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936087710	FRKTVKSPUFJXSI-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CN(CCCCCO)C[C@@H]1C[C@H]1C(=O)NN	1936095683	ZWEVEOQSVWFZKF-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC(O)C2)C1	1937043561	UCIJKZHXTSNVEX-IONNQARKSA-N	225.292	-0.931	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H]1COC[C@H]1Cl	1939166041	GMWLMVCCLUHNAB-NKWVEPMBSA-N	245.670	-0.957	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@H]2CC(O)C3)CC1	1945893244	PPHJIGKCYUGXAT-IUCAKERBSA-N	239.319	-0.256	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](COC)(OC)C1	1946472652	CITYXWQWLYNKCV-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)[C@@H](CO)C1	1957316021	ASNZMEIELKCKRV-RNJXMRFFSA-N	221.684	-0.185	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNC(N)=O)C1	1957319401	VBOYLGVECCSTKL-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
COCCN1CCN(C(=O)CCl)CC1=O	1958239786	MASUHKWBNYEEOL-UHFFFAOYSA-N	234.683	-0.458	50	10	BBGE	
CCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1958868958	GCZDXXHSDGBWIM-LURJTMIESA-N	217.030	-0.781	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]3C[C@@H]3C2)c1	1960014166	YYPCXIMYBGTJRQ-PSVAKVPMSA-N	206.054	-0.391	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@@H](N)C[C@H]2O)CC1	1960359951	YWIIHIOUOYKQPX-GMTAPVOTSA-N	207.277	-0.007	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@]1(C)CC1(F)F	1961739664	CUEILRKDFLQCMG-CLZZGJSISA-N	221.207	-0.474	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@H]2CC[C@H]2O)[nH]1	1977160171	KZHVXAFUWJKFRA-HCWXCVPCSA-N	243.698	-0.059	50	10	BBGE	
NNC(=O)CCN1CCCN(C2CC2)CC1	1980758054	DVMTWRWOXLCGKF-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CN(CC(C)(F)F)c1ccc(B(O)O)cn1	1981408657	CRPSUNKRCRVMJS-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
OB(O)c1cnc(Sc2ccncn2)nc1	1981466040	UBWMVRMZSMIOAR-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
OB(O)c1cnc(N2CCCCC2)c(F)c1	1981469296	QCPKPCRCKOPVOA-UHFFFAOYSA-N	224.044	-0.109	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1c1nc(B(O)O)cs1	1981472413	QFMZZMCWUNUEDI-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Cn1cc(B(O)O)ccc1=O	1984100865	CJWZJXWGBHIORU-MBTKJCJQSA-N	221.065	-0.570	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCCN(C)CC1	1989761856	RWMBKIVRJAYOML-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC12CC(CO1)C2	1989835818	YIZCYBVESMQPOU-INWMGODYSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H](OC)C(=O)N[C@H]1CCC=C1B(O)O	1991331567	ZWUUCKHEKYWOKM-DTWKUNHWSA-N	227.069	-0.372	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCN2C[C@@H](O)C[C@@H]2C1	1991674083	ARMXEFHVAPKGGQ-RGOKHQFPSA-N	244.722	-0.109	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCO[C@H]1CCNC1	1991714886	MOZYWGXMFMPPNX-CMLYIYFCSA-N	246.694	-0.197	50	10	BBGE	
CCn1nnc(CNC[C@H](Cl)CN(C)C)n1	1992010281	XSWBWCQJSQORIU-QMMMGPOBSA-N	246.746	-0.048	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NCC#CB(O)O	1992135247	QODBXHACHCJCHT-VIFPVBQESA-N	227.069	-0.821	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)nc1	1992152468	FKRCQKFZBJYXRA-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
NNC(=O)C(F)(F)CCN1O[C@H]2C=C[C@H]1C2	1992615631	OQACSOVNSRJAII-BQBZGAKWSA-N	233.218	-0.054	50	10	BBGE	
C[C@H](C(=O)Nc1ccc(B(O)O)cn1)C1CC1	1996647792	RGABMXHVTPLHML-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CCO[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)NN	1998884519	NBNDETACDNVOHN-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	2002914149	FHNFIGKBARHVMW-GMTAPVOTSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](c2nccn2C)C1	2004406120	DVCDCJIMPMOKJW-RKDXNWHRSA-N	237.307	-0.412	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CCCCO1	2004928515	DVFUXNKJGPZTRK-QMMMGPOBSA-N	238.052	-0.896	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@H]1CCOC1	2004934616	HTXLRJSMZQXFGM-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@H](F)[C@@H]1CCCN1c1ncc(B(O)O)cn1	2010589754	FBCKJDUHZWPWLY-CBAPKCEASA-N	239.059	-0.517	50	10	BBGE	
CN1CC[C@@H]2[C@@H]1CCCN2CCCC(=O)NN	2012128930	ZYEXAMAMIZCSCF-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
OB(O)c1ccc(-n2ccnc2C(F)F)nc1	2013054253	OZQLJEDXIGKZGS-UHFFFAOYSA-N	238.990	-0.115	50	10	BBGE	
CN(CC(=O)NN)Cc1ccc2cncn2c1	2014384643	IMYLAIXYGYQKJN-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@H]2CC[C@@H]21	2015990989	SNTIXMRZOYNZEU-FXQIFTODSA-N	249.261	-0.543	50	10	BBGE	
CC(C)C(NC(=O)NCC#CB(O)O)C(C)C	2021105871	YCEGFFQAVDCGRN-UHFFFAOYSA-N	240.112	-0.018	50	10	BBGE	
CN1CCC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2034001926	POVMBFSESFQCDL-LLVKDONJSA-N	248.091	-0.601	50	10	BBGE	
Cc1nc(N2CCC[C@@H]2C2CC2)ncc1B(O)O	2052554777	ZLEXDDXHAIFMPL-LLVKDONJSA-N	247.107	-0.156	50	10	BBGE	
CCOc1cnn(-c2ncc(C)cc2B(O)O)c1	2052596302	HBJBXWRKBDOPSK-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
CCON(C)c1ccnc2cc(B(O)O)cnc12	2052627607	NZXXLMJNASKZOV-UHFFFAOYSA-N	247.063	-0.303	50	10	BBGE	
COc1cc(Cl)c(C=O)cc1B(O)O	2060132094	WEPYWYIDNYHUOY-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCOc1c(B(O)O)cc(C=O)cc1[N+](=O)[O-]	2060140849	GGPPDJBHBUTNLT-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1cc(OCCn2cccn2)ncc1B(O)O	2064609911	KRJUZSLNFYANIE-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1nc(NC(=O)[C@@H](C)C2CC2)ncc1B(O)O	2069484810	MJIILUJDVDTDAU-LURJTMIESA-N	249.079	-0.551	50	10	BBGE	
O=C(CCCl)N1CCN2C(=O)COC[C@@H]2C1	2211718771	UNCINKXFNIQDEB-QMMMGPOBSA-N	246.694	-0.315	50	10	BBGE	
CN(C)C(=O)CSC[C@H]1CC[C@H]1C(=O)NN	2211838098	CDIMGMKLJBAKNN-HTQZYQBOSA-N	245.348	-0.176	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2212096514	BLFYRLNZXRFXRG-ZYUZMQFOSA-N	227.308	-0.257	50	10	BBGE	
C[C@H](N)CCCOc1cc(B(O)O)ccn1	2212606101	OJNOSDDDSOOMFM-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
NC1(CNc2ccc(B(O)O)cn2)CCC1	2212611275	YETXBQPKZXAFRU-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]2C1)C(=O)NN	2213023725	FCMKGTSWUMBQTG-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Nc1ccc(B(O)O)cn1	2217175852	OFCJAYBBYGGUIK-ZJUUUORDSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)C1CCC1	2217178292	UDWSZMLZRFPKOG-QMMMGPOBSA-N	235.096	-0.574	50	10	BBGE	
Cc1cnc(N(C)C[C@@H](C)CO)cc1B(O)O	2217179634	AFPONJGEPLVPCD-MRVPVSSYSA-N	238.096	-0.866	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCOC[C@H]1C2	2217182602	BOCLVTCVGVKVLR-KCJUWKMLSA-N	234.064	-0.648	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217185282	ZYYISEQBOJOYTJ-SCZZXKLOSA-N	236.080	-0.483	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCO2)c1F	2217186661	NBNCLFYXYNPICF-SSDOTTSWSA-N	241.027	-0.542	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncccc2B(O)O)CCN1C	2223632285	HUKNBYKCIAWIQF-UWVGGRQHSA-N	249.123	-0.344	50	10	BBGE	
CCCN(C)C1CN(c2cc(B(O)O)ccn2)C1	2223634238	IBAGFCOBBOVYAS-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(OC[C@@H]2C=CCCN2)cc1B(O)O	2223647363	XCUBAMHGZXNHRL-JTQLQIEISA-N	248.091	-0.633	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)NN(C)C)C1	2241674205	OKYVOZXJFLDJQD-MRVPVSSYSA-N	200.286	-0.144	50	10	BBGE	
COC(=O)NC[C@H](C)NS(=O)(=O)CCl	2241783990	UZYXAFZIZJCLLV-YFKPBYRVSA-N	244.700	-0.153	50	10	BBGE	
COCCSc1nc(OC)ccc1B(O)O	2243078786	IRADEOISVMZFJZ-UHFFFAOYSA-N	243.093	-0.492	50	10	BBGE	
NNC(=O)COCC12CC(C(F)F)(CO1)C2	2243185448	WPENMTNXEHWOCK-UHFFFAOYSA-N	236.218	-0.193	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)C#CB(O)O	2243349065	FKOAKEVYIQLLSX-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)C1(B(O)O)CC1	2243363709	KXLUFQBKCYZBMR-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H](CN)C1CC1	2243364002	PPIXRIAZGFKUGA-QMMMGPOBSA-N	226.085	-0.811	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC(N)C1	2243382945	SOENUESVVMEDQR-DOPNHTQNSA-N	226.085	-0.907	50	10	BBGE	
COC1CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243397210	XGAABFNHAQBXTQ-ABIFROTESA-N	227.069	-0.610	50	10	BBGE	
CCN(C[C@H](C)O)C(=O)C1(B(O)O)CCC1	2243397426	BBCKIFWTEXUNBW-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
O=C(N[C@H]1C[C@H](CO)C1)C1CC(B(O)O)C1	2243417845	XLJZJBBQVLPIJI-SMIAOZBLSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H](O)C(=O)Nc1cc(Cl)ccc1B(O)O	2243666000	XPEVHOZWOBKZEW-RXMQYKEDSA-N	243.455	-0.661	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1COC2(CCC2)C1	2243872538	TWSVAFMPRJALTB-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
Cc1ccnc(SCC2COC2)c1B(O)O	2244486766	XKKQCEYGUGVGII-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
CC[C@@H](O)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245913357	QFSRZJSPNBUYCX-ZCFIWIBFSA-N	244.487	-0.981	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CC[C@H]21	2247740150	GRLSEWIFAHMBNJ-JGVFFNPUSA-N	235.048	-0.416	50	10	BBGE	
CN(C[C@H]1CCCOCC1)C(=O)C#CB(O)O	2247740211	HUFYTLJVGXNFTB-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1cc(B(O)O)c[nH]1	2247744128	OAGRSQPQPFNOKP-WRXNHJIOSA-N	240.043	-0.828	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1B(O)O	2247752804	WESVALGKQHYJQD-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
CN(Cc1cn(C)cn1)C(=O)C1(B(O)O)CC1	2247753297	FCMGPYBHWRKCIM-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1occc1B(O)O	2247757858	XSTYUEIZVXJICV-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CCCN(OC)C(=O)c1ccc(B(O)O)cn1	2247769530	JMCJKTFTTDEUSS-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
CC[C@H](C)CCNC(=O)c1n[nH]cc1B(O)O	2247780450	BWCMRVNWXSFTQD-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2247796712	CARWGDFBGHYLKT-JLIMGVALSA-N	239.080	-0.467	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CC2	2247798653	WCMHKZQDNXYNKB-RKDXNWHRSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)C1CC(B(O)O)C1	2247800901	UUKILEMTJOQXEP-UDNWOFFPSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCCC1CCOCC1)[C@@H]1C[C@@H]1B(O)O	2247803486	BKBSNAYYXWYVSX-ZJUUUORDSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247804561	HMFLZLDDPKXEJZ-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1N	2247807749	JALGCCALPBWEQK-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ccncc1B(O)O	2247871621	FFKRHJPTWCTBPW-MRVPVSSYSA-N	236.080	-0.368	50	10	BBGE	
CN(Cc1ncno1)C(=O)C1CC(B(O)O)C1	2247893474	SGEXEQAEYWYDRK-UHFFFAOYSA-N	239.040	-0.719	50	10	BBGE	
CC[C@@](C)(CN)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247896894	LTXPSJFVGBHHAC-QXEWZRGKSA-N	242.128	-0.175	50	10	BBGE	
Cc1cncc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247898326	CJCCMMCSPAZULP-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC2(CCC2)C1	2247898811	HXUQBPURVGCALW-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899464	NMERESSPOCMWTI-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588394	CGFRNVVMLGRXAE-NTSWFWBYSA-N	247.031	-0.689	50	10	BBGE	
N#CC1CN(C(=O)N2CCC(B(O)O)CC2)C1	2249379364	VUYSHIQTMWIBJK-UHFFFAOYSA-N	237.068	-0.499	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCCC#CB(O)O	2250002326	JSJVPANZVSLZCR-HTQZYQBOSA-N	245.034	-0.201	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1coc(B(O)O)c1	2255452605	LJBZRRHEVANGHJ-JZYVYDRUSA-N	249.075	-0.122	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@H](C1)C2	2255454901	UAIARABVNHQKIH-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21	2255459281	DRJORRUNUNKYRA-PORUNHMFSA-N	249.075	-0.974	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@@H]1n1ccnc1	2255469762	UIRVOKROQAFCFY-UWVGGRQHSA-N	247.063	-0.892	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1C	2255512045	TUHXCHVLFZBAJM-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)cn1	2255515035	RIIYYIWZOZHGMW-JZYVYDRUSA-N	246.075	-0.710	50	10	BBGE	
C#C[C@@H](NC(=O)c1cncc(B(O)O)c1)C(C)C	2255522360	IUWXXAWTEBNCCI-LLVKDONJSA-N	246.075	-0.851	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255713404	AKQDQQJFADNTJX-KOLCDFICSA-N	248.091	-0.464	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)ccc2O)CC1	2256018343	YNKRRPGDSPOZKN-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258125415	QBGVTYQZLKONQG-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(CC2CC2)C1	2258130883	NJBVRAUEEITLGD-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCOC[C@H]21)[C@H]1C[C@H]1B(O)O	2298368535	KNWUYUISHVVZPF-JDDHQFAOSA-N	239.080	-0.752	50	10	BBGE	
CN[C@H]1CN(C(=O)C2(B(O)O)CC2)CC1(C)C	2299719035	MNUKNUZNGUOWCH-QMMMGPOBSA-N	240.112	-0.550	50	10	BBGE	
CCn1c(C)nn(CC(B(O)O)=C(C)C)c1=O	2301838294	VHIIFPCOSZNMCU-UHFFFAOYSA-N	239.084	-0.278	50	10	BBGE	
CN(C[C@@H]1CCO1)c1nccc(B(O)O)c1F	2302384396	ZZVXDIVOBAFSQG-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN[C@@H]2CCC[C@@H]21	2302885260	OEHFROQZOXGDMW-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCOC[C@H]21)N1CC[C@@H](B(O)O)C1	2303108358	HBQADSLYOUTIAJ-ZYUZMQFOSA-N	239.080	-0.656	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](C1)C2O)C(=O)NN	2303420894	CIFDTBBEORVAIK-RXHRYUJKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)CN1	2303847731	NHMIVZPTWJWZEA-RNFRBKRXSA-N	239.059	-0.937	50	10	BBGE	
N[C@H](COc1cc(B(O)O)c(F)cn1)C1CC1	2303858254	LUQLAKPADAGVMX-SECBINFHSA-N	240.043	-0.983	50	10	BBGE	
COC(=O)NC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	2306925846	YYEBQIUCPAEYJD-RNFRBKRXSA-N	244.295	-0.959	50	10	BBGE	
C#C[C@@H]1N(c2nccc(B(O)O)c2F)CC1(C)C	2314530924	OBWHEPBXQUABIG-VIFPVBQESA-N	248.066	-0.252	50	10	BBGE	
C[C@@H]1CNC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317160134	AHDIZZZGKDFNEU-PRHODGIISA-N	246.075	-0.775	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cc2c(cc1=O)CCC2	2319840243	UMFQXXCEYCUGAM-GHMZBOCLSA-N	247.298	-0.037	50	10	BBGE	
CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1	43023795	KDGPFQLDOUCALF-SECBINFHSA-N	249.336	-0.223	50	10	BBGE	
NNC(=O)CCN1CCCN2CCC[C@H]2C1	82469359	UWMXHMNMWPIUHT-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
COCCSC[C@H]1CC[C@@H](C(=O)NN)O1	82472392	GPKQMMXMKDBDIS-SFYZADRCSA-N	234.321	-0.097	50	10	BBGE	
NNC(=O)C(=O)NCCOC1CCCC1	82627930	VHXOWVLBGKIIGN-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
CC(=O)NNC(=O)c1ccccc1CN	82697368	WQNREMTUXBEBKU-UHFFFAOYSA-N	207.233	-0.074	50	10	BBGE	
CCc1cc(C(=O)NNC(N)=O)n(C)n1	85166540	VVHYBQHQKMZVBT-UHFFFAOYSA-N	211.225	-0.704	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCCN1C	86190404	XRSQSLGGBFITDL-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(O)CC1	86313269	ZXVFWEGRBDDORI-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CNCCCN(C)C[C@@H](C)C(=O)NN	87472908	FTSSWIGYZHKGEV-MRVPVSSYSA-N	202.302	-0.846	50	10	BBGE	
C[C@@H](CN1CCN(C)C(=O)C1(C)C)C(=O)NN	94867014	HALUMEUEJJYPRC-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
C[C@H]1CC[C@H](C(N)=O)CN1CCCC(=O)NN	110586441	IGPJIJOKUZQRQY-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
CN(C)NC(=O)c1ccc(/C(N)=N/O)cn1	149699815	WXIOVTGJKXVNDA-UHFFFAOYSA-N	223.236	-0.618	50	10	BBGE	
CC(C)[C@H](NC(=O)NC(=O)CCl)C(N)=O	231058822	ONHDUTAVIGSIIM-LURJTMIESA-N	235.671	-0.439	50	10	BBGE	
C[C@H](O)C1CCN(CC(=O)NN)CC1	235525144	BRULCUSIXCTIGR-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1ccc(OC)cc1	259034072	KBKLYLARXCSIJA-JTQLQIEISA-N	223.276	-0.184	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc2c(c1)CCO2	259072588	YJJPJVIHYVVVAQ-SECBINFHSA-N	221.260	-0.519	50	10	BBGE	
CN(CCOCCO)C(=O)CBr	300941722	DPPRZMOEQYJMIG-UHFFFAOYSA-N	240.097	-0.151	50	10	BBGE	
Cn1ccc(=O)n(CCBr)c1=O	306258971	SPQRESIHHWTWRR-UHFFFAOYSA-N	233.065	-0.058	50	10	BBGE	
NC(=O)NNC(=O)Nc1nncs1	306314273	NSRXEQAEPPLEFF-UHFFFAOYSA-N	202.199	-0.757	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(CCOCCCl)C1	308822059	GVMJKBSRCMCMNO-SECBINFHSA-N	236.699	-0.836	50	10	BBGE	
COCCSCCOC(F)(F)C(=O)NN	378738044	MGJKELSADYJBDB-UHFFFAOYSA-N	244.263	-0.035	50	10	BBGE	
NNC(=O)CCCOn1nnc2ccccc21	383490010	VNJXHNSEDWIKJI-UHFFFAOYSA-N	235.247	-0.370	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC(O)C1	384135607	MCZWEOPQGDAAGS-UHFFFAOYSA-N	221.260	-0.533	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCSC[C@@H]1CO	388187051	OLEBNEQJLDYBDS-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
CC1(C)C[C@H](O)CCN(CCC(=O)NN)C1	395800791	ZMMVSOSPZWHYKQ-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CSSCCNS(=O)(=O)CCO	397728803	OWYIFCRLHPFIFN-UHFFFAOYSA-N	231.364	-0.091	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)C[S@](C)=O	399935581	ZFMXPPXUVGHDLL-LGZSNQIQSA-N	249.380	-0.156	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(CCF)CC1	402754542	BVSDBQXTWAMTFU-SECBINFHSA-N	232.303	-0.658	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ccnnc1	404972489	RKZRLMKPRXHFGD-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	404988211	XVBWLBKAYYCOGE-XVKPBYJWSA-N	219.049	-0.039	50	10	BBGE	
CCN1CC[C@H](N(C)CCCC(=O)NN)C1	689048736	QKUVRXXWWWHVJC-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCCCO2)c1	694488125	RDYNNLWSAYEHBE-SECBINFHSA-N	210.042	-0.868	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC2(CC2)C1	695156853	NXPXYTKSFDKQEE-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703421214	GCFLAHSEYFXYFW-FXQIFTODSA-N	213.233	-0.326	50	10	BBGE	
C[C@@H](C[S@](C)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423204	XZEVYAXLVDRQAZ-MKBRYRQJSA-N	245.300	-0.330	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706204617	UHAXYXRYTWULIA-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)CCN1CC[C@H](C(F)F)C1	707178988	KFZXTLDZXHHKLD-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1ncnn1C	707258150	SFVOAQYJJXIHDW-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	708298085	USEARHVBUMACFV-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CC(C)[C@H]1CN(C[C@H](C)C(=O)NN)CCO1	708954142	UJMRYISZVNDVRG-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[S@](=O)N1CCCc2cccc(B(O)O)c21	712225069	CVUNTVPSYGFQLB-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@]1(C)CO	723001611	ZCFMTAZDVRDYBZ-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
O=C(NN=Cc1cccnc1)[C@H]1COCCO1	745211230	MDIXHXXTZCXETE-SNVBAGLBSA-N	235.243	-0.053	50	10	BBGE	
Cn1cc(C(=O)NNC2=NCC(O)=C2)cn1	747632491	MNQURMGJHOHSRS-UHFFFAOYSA-N	221.220	-0.492	50	10	BBGE	
O=C(CO)NN=Cc1cnn2ccccc12	776779359	JDMFHNKACLUPRF-UHFFFAOYSA-N	218.216	-0.223	50	10	BBGE	
NNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F	852773416	YPXCMTZDSSHVEH-NTSWFWBYSA-N	242.197	-0.040	50	10	BBGE	
CC[C@H](C(=O)NNc1nnc(C)n1C)[C@@H](C)O	857330469	JRNYWRSUPNIJDE-SVRRBLITSA-N	241.295	-0.026	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2	930733801	GLSKXDDELXLENQ-BWZBUEFSSA-N	225.248	-0.320	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)CC(F)(F)F	1163247684	KOHMMKFSFQMUHR-UHFFFAOYSA-N	241.169	-0.648	50	10	BBGE	
Cn1ccc(NNC(=O)c2ncc[nH]2)n1	1306835293	IYNZBCNFRGLGFI-UHFFFAOYSA-N	206.209	-0.100	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnsn2)n1C	1331677111	VORRDVJSQGMIFR-UHFFFAOYSA-N	239.264	-0.268	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cccnn1	1537027121	RTURINGHFYNMNA-ZETCQYMHSA-N	233.231	-0.213	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cc[n+]([O-])cc1	1583871132	ZEMHCPOSASOAOM-UHFFFAOYSA-N	238.247	-0.328	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](C)N(C)C)nc1O	1649394733	INVWAKWQVXDKNM-LURJTMIESA-N	240.267	-0.721	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Br)N1CC(O)C1	1877356793	VXRFQTDDKFODTL-RITPCOANSA-N	220.066	-0.027	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)NCC=CB(O)O	1878084372	BUCNGSGWAXXMSL-SVRRBLITSA-N	201.006	-0.581	50	10	BBGE	
NNC(=O)c1cc(Br)n[nH]1	1880076168	ZWWADJRAYHYQAQ-UHFFFAOYSA-N	205.015	-0.224	50	10	BBGE	
COC(=O)[C@H](C)CS(=O)(=O)N=C=O	1882574773	WOLFWCOLWBXPQE-RXMQYKEDSA-N	207.207	-0.539	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC(=O)NN)CS1	1882945677	IPHBEKNWDCMYAU-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
C=C(CN(C)[C@H](C)C[S@](C)=O)B(O)O	1895237527	AZBIGBKSLVSVEC-CLAHSXSESA-N	219.115	-0.747	50	10	BBGE	
C[C@H](CCl)CN1C[C@H](O)[C@@H](O)[C@H]1CO	1900167446	XBZMYRPPAOSLMX-HXFLIBJXSA-N	223.700	-0.740	50	10	BBGE	
C[C@H]1CNC[C@H]1CC(=O)NN(C)S(C)(=O)=O	1901338634	AGUXULOEGSILFY-JGVFFNPUSA-N	249.336	-0.845	50	10	BBGE	
C=CC[C@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901342425	LHSATMIMUZNBFK-QMMMGPOBSA-N	247.320	-0.655	50	10	BBGE	
C=C[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901349004	RXZZMKBXIKRMNU-MRVPVSSYSA-N	247.320	-0.655	50	10	BBGE	
NNC(=O)[C@]12CCC[C@@H]1CS(=O)(=O)C2	1901538974	HNNXHGADRXCUBN-SVRRBLITSA-N	218.278	-0.809	50	10	BBGE	
Cn1cc(CCN2CC[C@@H](B(O)O)C2)cn1	1902515442	GXNMDNDUEJTGLM-SNVBAGLBSA-N	223.085	-0.489	50	10	BBGE	
CO[C@]1(C(F)F)C[C@H](C(=O)NNC(N)=O)C1	1902689591	TXLRXQODYIZXFX-SWUQSZJBSA-N	237.206	-0.254	50	10	BBGE	
COC(C)(C)C1(CNC(=O)C(=O)NN)CC1	1902956800	RKUCLALCYJJHKO-UHFFFAOYSA-N	229.280	-0.702	50	10	BBGE	
Cc1nc(CCCNC(=O)C(=O)NN)cs1	1903005174	CVOVRRCNLVFZMX-UHFFFAOYSA-N	242.304	-0.510	50	10	BBGE	
CC(=O)NNC(=O)C(C#N)=C1CCCN1	1911649041	WBKRKYZOFSOMDK-UHFFFAOYSA-N	208.221	-0.685	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)NN(C)C	1913211968	OKRXBPBFSHMRCO-WDSKDSINSA-N	201.226	-0.280	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CCC1	1913615686	OQQQIHFOKUKVSN-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CCCN(C[C@@H](C)C(=O)NN)C1COC1	1915660651	QAVLZMLHYROTMB-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H](C)CCO	1917042571	FCDVTBXPZRLGGS-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923222599	BBZRUFDCARJPFF-VKHMYHEASA-N	212.127	-0.757	50	10	BBGE	
C[C@H](O)C(=O)NN(CCO)C(=O)OC(C)(C)C	1923393152	KZONURNDVFQTST-ZETCQYMHSA-N	248.279	-0.372	50	10	BBGE	
O=S1(=O)NCCN1CC=CCCl	1927714814	JTWYFZIRSWEQKU-UHFFFAOYSA-N	210.686	-0.069	50	10	BBGE	
Cn1cc(OC[C@@H]2C[C@@H]2C(=O)NN)cn1	1927918157	POKACCQJBSDCAZ-XPUUQOCRSA-N	210.237	-0.575	50	10	BBGE	
C[C@@H]1COC[C@H]1OCCOCC(=O)NN	1928178225	DJYJZIMOJFDVCX-HTQZYQBOSA-N	218.253	-0.956	50	10	BBGE	
C[C@]1(C2CC2)COCCN1C(=O)C(=O)NN	1936114446	XEVYBYKZJOYZAS-SNVBAGLBSA-N	227.264	-0.996	50	10	BBGE	
CN(C)CCCN(C)CC1(C(=O)NN)CC1	1938247097	PAVDXSGCVDMYJE-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941079626	QDLAJEGHFMUSHJ-LXUNUROVSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCCC[C@@H]1CO	1941087700	NIIAQQHXGKGGMZ-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
CON(C)C1CN([C@H](CC(C)C)C(=O)NN)C1	1941107961	XTRIFJJMJBOGLB-SNVBAGLBSA-N	244.339	-0.432	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2nccc2C1	1941176839	BGQHJYQHESSAAI-JTQLQIEISA-N	237.307	-0.287	50	10	BBGE	
CNC(=O)c1ccn(CC2(C(=O)NN)CC2)n1	1945884029	KDEWWGCTMZSHCU-UHFFFAOYSA-N	237.263	-0.987	50	10	BBGE	
CCC1(CN2CC[C@@H](B(O)O)C2)COC1	1951320402	JZIYCQCBTDEYHD-SECBINFHSA-N	213.086	-0.038	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cccc(-c2nn[nH]n2)c1	1952956945	RDOYNOOHWDRSBS-IUCAKERBSA-N	230.231	-0.249	50	10	BBGE	
NC(=O)C1CCN(C[C@H](O)CCl)CC1	1956255822	DUTVTUJLNSFQEL-MRVPVSSYSA-N	220.700	-0.217	50	10	BBGE	
CN(CCOCC(=O)NN)CC(C)(C)F	1960453355	XHIWZLHNTURZRT-UHFFFAOYSA-N	221.276	-0.327	50	10	BBGE	
CCN(C[C@@H](Cl)C#N)[C@H]1CC(=O)NC1=O	1961457178	NXVDQXJJRWROQW-BQBZGAKWSA-N	229.667	-0.146	50	10	BBGE	
C[C@@H](CN(C)c1ccnn1C)C(=O)NN	1961788761	GGACPLGISBBONI-ZETCQYMHSA-N	211.269	-0.518	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)cn1	1976031434	HSCYXRNBKYRAJT-UHFFFAOYSA-N	221.025	-0.931	50	10	BBGE	
C[C@]12CCCN(CCC(=O)NN)[C@@H]1COC2	1976540494	SXJUHLFSYUSKRP-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN(C)[C@H]1CC[C@@H](O)CC1)C(=O)NN	1976628603	FBHCEOISWHHJNB-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](CF)C2)nc1	1981413683	JNICCNCOLGCHAR-QMMMGPOBSA-N	224.044	-0.443	50	10	BBGE	
C[C@H]1CSCCN1c1ncncc1B(O)O	1981416079	LLYKDCMSSJYXAG-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
CC(C)C1CN(c2ncccc2B(O)O)C1	1981422254	MCLWTTSCRQVYQA-UHFFFAOYSA-N	220.081	-0.146	50	10	BBGE	
COC[C@@H](C)N(C)c1ccncc1B(O)O	1981425639	INXWKOGYTCFOAF-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3C[C@H]32)n1	1981447851	UIWXNUFXOUSNPQ-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1C[C@@H]1CO	1982109716	PGNWNXVBSAILKY-JQCXWYLXSA-N	225.244	-0.469	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@]1(C)CCOC1	1982704494	IRJGTSQGZHWWRE-QMMMGPOBSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=CC[C@@H]1CO	1983179342	MULQLBNHWSUNTF-LPEHRKFASA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1C1(O)CC1	1987340843	OFLMMRDXFQMRAW-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC	1987530928	JMKXLWNQUACKSL-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CN(CC12CCC(CC1)O2)C(=O)C(=O)NN	1989435800	VTQOFEKPTFWXEB-UHFFFAOYSA-N	227.264	-0.854	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1[C@H](C)CCC(=O)NN	1990041547	STTVTGIUDULLED-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
NCCn1c(=O)ccn(C[C@H]2C[C@@H]2Cl)c1=O	1991438894	ORHANBXSUDHQFC-SFYZADRCSA-N	243.694	-0.404	50	10	BBGE	
CN(CC(=O)NN)CC12COC(CF)(C1)C2	1993939025	IEIOJWLHEIAUHN-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
CC1CC(C(=O)Nc2ncc(B(O)O)cn2)C1	1996646667	VWSHSXHHLXZYRE-UHFFFAOYSA-N	235.052	-0.859	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2ncnc2C1	2003927232	XNWXEARQCBZJEP-MRVPVSSYSA-N	238.295	-0.748	50	10	BBGE	
CC(C)C[C@@H]1CCN1c1ncc(B(O)O)cn1	2004915713	CCCHOZYCLYRWJY-JTQLQIEISA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CC(CC3CC3)C2)nc1	2004915921	FSFJOQVKJUMGJV-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
CC[C@@H](COC)N(C)c1ncncc1B(O)O	2004921755	ZRWGHOPBRXDJHF-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(CF)C2)n1	2005018284	RBFBGOOMZVHMKX-UHFFFAOYSA-N	239.059	-0.821	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)C2(CCCC2)C1	2006546929	IPHXUCFXIXLIQU-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)c1cc(CN2CC=C[C@H]2CO)on1	2007494894	BWJSXPTTZNMJRW-ZETCQYMHSA-N	238.247	-0.989	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1COC2CC1C2	2011812384	HLVYEGQWXZGBCR-QLEHZGMVSA-N	243.307	-0.900	50	10	BBGE	
OB(O)c1cncc(OC[C@]23C[C@H](CO2)C3)c1	2018459013	ARETUJXZLXIIHQ-DKTWLAJQSA-N	235.048	-0.681	50	10	BBGE	
COC[C@@H](C)COc1ncnc(C)c1B(O)O	2026080346	QTVOBEGJGYRPCY-SSDOTTSWSA-N	240.068	-0.874	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@@H]2CO)cc1	2031685502	BUXWNKOCSKRXJP-GFCCVEGCSA-N	249.314	-0.214	50	10	BBGE	
CN(CCn1cccc1)c1ncc(B(O)O)cn1	2052470301	BSUXLLXCIHPRAV-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2CCCC[C@H]21	2058157318	WWOLRTZBLLVQLM-GDNZZTSVSA-N	247.103	-0.036	50	10	BBGE	
COc1cc(Cl)c(B(O)O)cc1[N+](=O)[O-]	2060016418	YIGOQIVPYNASSH-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
C[C@]1(NC(=O)c2ccccc2B(O)O)CCOC1	2079010305	OMNRBSIZXUHKQI-LBPRGKRZSA-N	249.075	-0.725	50	10	BBGE	
COC1CC(COCCC(=O)NN)C1	2209993329	JHMGCBCONIUULK-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
CCCOCCOCc1nscc1B(O)O	2211138002	OAYFYIKQRIQTTR-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cccnc1=O	2211839325	SNOWLPJVPADYJV-YUMQZZPRSA-N	222.248	-0.741	50	10	BBGE	
CCCNCCOc1cc(B(O)O)ccn1	2212608344	SHQPWFPYSCLQDB-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1cc(B(O)O)ccn1	2212613051	RBAPATUJYNOOBB-OIBJUYFYSA-N	225.028	-0.112	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@@H]1CN(C)C2)C(=O)NN	2213954706	JRZMYIIBGWJHNF-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
OCCC1CN(Cc2cccc(B(O)O)c2)C1	2214605397	KTYDJVTUBQNQNA-UHFFFAOYSA-N	235.092	-0.819	50	10	BBGE	
C[C@]1(CN)CCCN1c1ncccc1B(O)O	2217175602	LAEQLUZMHTUNGR-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
CC(C)C[C@H](CO)Nc1ccc(B(O)O)cn1	2217180488	HXDLCXAJMOCSHY-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(N2C[C@H]3C=C[C@H]2C3)cc1B(O)O	2217182880	HMBDOSFOUYTJMV-UWVGGRQHSA-N	230.076	-0.165	50	10	BBGE	
C#CC[C@@H](Nc1ncccc1B(O)O)C1CC1	2217196525	HAONBPXZKIBULB-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Nc1ncccc1B(O)O	2217199756	OXISLRXWMKKLHA-UWVGGRQHSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3CCC[C@H]32)nc1	2217201468	PRIVPARXQMRJBO-SZEHBUNVSA-N	233.080	-0.243	50	10	BBGE	
OC[C@@H](Nc1ncccc1B(O)O)C(F)(F)F	2217203346	SXCTUVQZSJIYGL-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
OB(O)c1cccnc1NCCCN1CC=CC1	2223639207	PXJSIEGRNNLYKL-UHFFFAOYSA-N	247.107	-0.565	50	10	BBGE	
Cc1noc(C)c1CNc1ccc(B(O)O)cn1	2223671910	BTMIRBUAIBOEHM-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
O=C(F)OC[C@@H]1CO[C@H]2CNC[C@H]2O1	2241301808	YLIQDZPDMFKEIP-LYFYHCNISA-N	205.185	-0.152	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccsc1	2241475708	CWPOUHSFRFFCSQ-UHFFFAOYSA-N	209.035	-0.620	50	10	BBGE	
C[C@H]1SCC[C@H]1NC(=O)C#CB(O)O	2241476707	XZVRPJJIQUGJSF-RNFRBKRXSA-N	213.067	-0.988	50	10	BBGE	
CC[C@H](OC1(CC)COC1)C(=O)NN	2242118960	PZWGTQAASFJXMR-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
OB(O)c1ccc(OCCOC(F)F)nc1	2242772821	MSDWJNPRKSDRSV-UHFFFAOYSA-N	232.979	-0.621	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(O)C[C@@H]2C1	2242811760	YEKVCNMKKKDSTJ-SVRRBLITSA-N	235.234	-0.932	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1occc1B(O)O	2243358426	GZFBJZCZYPSRFT-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1sccc1B(O)O	2243362562	SSBMHBSYQBMAFL-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
N#CCC1CN(C(=O)C2(B(O)O)CCC2)C1	2243365714	QSXFHUMLOCXVFU-UHFFFAOYSA-N	222.053	-0.244	50	10	BBGE	
Cc1sc(C(=O)NN(C)C)c(C)c1B(O)O	2243382037	KSXVYXZYRVHRGH-UHFFFAOYSA-N	242.109	-0.749	50	10	BBGE	
CCCN(CCOC)C(=O)C1(B(O)O)CC1	2243397555	DNJPIPYPIFYXSA-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
O=C(NCC1(CO)CCC1)C1(B(O)O)CC1	2243398724	SSGPILRZUQQNFK-UHFFFAOYSA-N	227.069	-0.728	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1nscc1B(O)O	2243679379	XJDKJAMNWDSINN-LURJTMIESA-N	238.077	-0.977	50	10	BBGE	
C#CCCOC[C@H]1CCC[C@H](C(=O)NN)O1	2243938555	PXAVVNMKKTWQJT-NXEZZACHSA-N	226.276	-0.046	50	10	BBGE	
O=[S@](NCCC#CB(O)O)c1ccccc1	2244536618	CVDSEDGNBUZOMM-INIZCTEOSA-N	237.089	-0.296	50	10	BBGE	
NC(CO)(CO)c1cn(C[C@H]2C[C@H]2Cl)nn1	2245491204	XJQAPNAHJUIYQQ-RNFRBKRXSA-N	246.698	-0.956	50	10	BBGE	
NC[C@@H]1C[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913289	OYAANISXIVZSKJ-YLWLKBPMSA-N	241.487	-0.826	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H](CN)C1CC1	2247754179	CMUQDZPPMRVGHP-SECBINFHSA-N	240.112	-0.421	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H](CN)C1CC1	2247754180	CMUQDZPPMRVGHP-VIFPVBQESA-N	240.112	-0.421	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2CNC[C@H]21	2247787914	WKEWXUZEHPIKIY-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@@H](C)CO1	2247791652	OEPOKVNUYNDAKR-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CCNC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247798646	WBTSXMPBRZTIBU-BGZDPUMWSA-N	244.075	-0.944	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ncc[nH]1	2247807499	IOBHDFWBWWIZJP-FXQIFTODSA-N	237.068	-0.160	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247860234	UDAMAGJQZHGGLX-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(F)ccc1B(O)O	2247868140	PWKXJCWRNIGDOJ-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	2247874097	JAYYNCURMCZPSG-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2248585421	LFDFUUKSNULSJR-BQBZGAKWSA-N	241.052	-0.780	50	10	BBGE	
O=C(O)[C@@H](F)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586854	IHXQPGMQPRXWAW-XVMARJQXSA-N	247.031	-0.832	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)C[C@@H]1C	2249417664	IZXCMENGPKKHOG-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1cc(B(O)O)co1	2249431785	WDHJBKAPCKGSBC-FKQCQYRASA-N	241.027	-0.563	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1cc(B(O)O)co1	2249433294	KSYIQASCIGZSFI-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
OB(O)c1cnn(CCc2ccc(F)cc2)c1	2252646930	XOZKHWFZIQNJIJ-UHFFFAOYSA-N	234.039	-0.055	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(CC=CC2)C1	2255489248	QDVLKCVVWXTMMP-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(C)cc(B(O)O)c1	2255510011	RFIBBCOPUNJFJZ-LBPRGKRZSA-N	243.071	-0.477	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2255718095	UCGHMMJFIZMGAT-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2coc(B(O)O)c2)C1	2255726806	XLMCIWOQCGTQHX-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@H](C)[C@@H]2C)c(B(O)O)c1	2255787676	BMTFLAYEHKZXJS-IUCAKERBSA-N	248.091	-0.450	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)ccc1O)C1CC1	2256017335	RHGAUFKMEGZVKQ-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cc1C	2257491760	PUIQXORNQYUNTN-WPRPVWTQSA-N	248.091	-0.402	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C[C@@H]1CC[C@H]1C(=O)NN	2298166022	NIUWVFXNECPYLK-HBNTYKKESA-N	241.335	-0.295	50	10	BBGE	
CCC[C@@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463442	CNFRQPKILSNZJD-MATHAZKKSA-N	243.068	-0.391	50	10	BBGE	
O=C(N1CCC2CC1(CO)C2)C1(B(O)O)CC1	2299768187	JFAIUZCCEHJHOQ-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
CNC[C@H](C)Nc1ccc(B(O)O)cc1C#N	2301342329	XRNWTWTWBVVDJM-QMMMGPOBSA-N	233.080	-0.742	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CC(O)C1	2301344095	SLYWTIPFRJHJIQ-UHFFFAOYSA-N	232.048	-0.827	50	10	BBGE	
O=Cc1ccc(N[C@]23COC[C@H]2C3)cc1B(O)O	2317348645	QCZISVZGTYOFEM-BXKDBHETSA-N	247.059	-0.620	50	10	BBGE	
COC(=O)CCS(=O)(=O)NCCCl	42536296	GHCFXUHOKVRCEA-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CCC[C@@H]21	83702219	QIXGVDZZZKKXSQ-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCC(=O)NC1=O	84404778	HXZUSYHVWKPTOT-UHNVWZDZSA-N	218.640	-0.465	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1	97298035	CMUVKBBHKFRTDF-JGVFFNPUSA-N	230.264	-0.262	50	10	BBGE	
CC[C@@H](CSC)NC(=O)C(=O)NN	133941742	MNKKBOOFHVNWIX-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C=C[C@H](C(=O)O)C1	149126914	PCKNGQSZTCUCNC-BQBZGAKWSA-N	213.237	-0.209	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](CO)C1	166153595	RTNKDUJWVZGIOE-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@H]1CCOC1	211148938	VYIMVCFDISVQOT-NSHDSACASA-N	235.092	-0.413	50	10	BBGE	
Cn1cc(B(O)O)c(Cc2ccccc2)n1	219667616	CFCIMVFKOIBMFD-UHFFFAOYSA-N	216.049	-0.309	50	10	BBGE	
CN(CC(F)F)C[C@@H]1CC[C@@H](C(=O)NN)O1	220894188	SKBCURCCJXKNCJ-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H](C(=O)O)O1	222775816	CHJQPQJBLNMRQZ-WDSKDSINSA-N	202.210	-0.789	50	10	BBGE	
CO[C@@H](C)COc1cncc(B(O)O)c1	228583048	HLOLSLGPFVEWPX-ZETCQYMHSA-N	211.026	-0.825	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230357177	CQZOZXHNCCLATF-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)CC(F)(F)F	231593565	QTLDJXDIOLMVAQ-YFKPBYRVSA-N	229.202	-0.779	50	10	BBGE	
COCCCOCCOCC(=O)NN	232205957	MTVGZFAYWMJWHL-UHFFFAOYSA-N	206.242	-0.954	50	10	BBGE	
CS(=O)(=O)c1c(Cl)cccc1B(O)O	238382803	MABUIQXEGZJPCP-UHFFFAOYSA-N	234.469	-0.577	50	10	BBGE	
C#Cc1c(OC)ccc(B(O)O)c1OC	238429991	MKDODMOGKLGRLV-UHFFFAOYSA-N	206.006	-0.635	50	10	BBGE	
OB(O)c1ncccc1OCC(F)(F)F	238639361	UNXGNUVSXZFDLE-UHFFFAOYSA-N	220.943	-0.298	50	10	BBGE	
CN(Cc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NN	258806882	RXTVBKMTZJCYDJ-UHFFFAOYSA-N	235.247	-0.129	50	10	BBGE	
CCS(=O)(=O)CC1=NC(C#N)=CS1(=O)=O	259998354	JCQWFBADSLBSMZ-UHFFFAOYSA-N	248.285	-0.387	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](CCO)C1	300229137	ODBVXXQXOZLFIY-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1cc(CN2C[C@H]3C[C@H]3C2)ccc1F	306980942	PZIRLNDHYNLGNJ-AOOOYVTPSA-N	235.067	-0.043	50	10	BBGE	
CCOC(=O)[C@H](N=O)C(C)=NNC(N)=O	308675319	ILXJFACPLDYPMF-RXMQYKEDSA-N	216.197	-0.271	50	10	BBGE	
Cn1cc([C@H](Cl)C(=O)N2CCOCC2)nn1	309808562	YIXDAQOCFRGXSE-QMMMGPOBSA-N	244.682	-0.046	50	10	BBGE	
COCCOCCN(C)[C@H](C(=O)NN)C(C)C	310346195	NYJOOFJVKLKGNC-JTQLQIEISA-N	247.339	-0.404	50	10	BBGE	
CN1CC[C@H]2CN(CCCC(=O)NN)C[C@H]2C1	380093446	VLBDBPNEBJXCLE-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
COC(=O)/C(C#N)=C/[C-](C#N)C(=O)OC	380467005	ZWAODMMSSCGJIR-ZZXKWVIFSA-N	207.165	-0.120	50	10	BBGE	
CN(CCC(N)=O)S(=O)(=O)CCCl	381965987	KVXGPULUMHFHMK-UHFFFAOYSA-N	228.701	-0.638	50	10	BBGE	
N#C[C@H](Cl)CN(CCO)CCCO	385764418	IXNGESYTAQFLSQ-QMMMGPOBSA-N	206.673	-0.206	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCSC[C@@H]1CO	388212279	UYBIXMQNIQWCBK-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1O	388639471	QBNHJNUAJBVSAQ-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(CN(C)C)C1	394437486	DUDVKPRSEMVTAC-RKDXNWHRSA-N	228.340	-0.506	50	10	BBGE	
O=C(O)CCc1cccc(F)c1B(O)O	396027765	RRROSFNOXQKFGB-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
N#Cc1c(CO)sc2cccc(B(O)O)c12	396218722	JQRVCSGHLOIDEC-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H]([C@H]1CC1(C)C)N(C)C(=O)C(=O)NN	397649138	SYOIBESSLWQVGJ-RNFRBKRXSA-N	213.281	-0.131	50	10	BBGE	
COC(=O)[C@H](Cl)CNCC[S@](C)=O	400643166	QECXWWSEFLJTCG-UANNBLPKSA-N	227.713	-0.265	50	10	BBGE	
CCc1cnn(CCn2cc(C(=O)NN)nn2)c1	402051078	RANINTYOHSTBCA-UHFFFAOYSA-N	249.278	-0.659	50	10	BBGE	
CSc1c(B(O)O)ccc(O)c1F	575704956	DMQNLYKPGKVHAW-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
OC[C@@H](NCc1ccc(B(O)O)cc1)C1CCC1	585045859	NTVBHKWFRZXKDS-CYBMUJFWSA-N	249.119	-0.383	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690153955	AOSBCYWCCGOYIO-NXEZZACHSA-N	229.324	-0.296	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCC(=O)O)CC1	692137362	ZGHQZDBSGWPHDQ-UHFFFAOYSA-N	226.232	-0.272	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1CO	698213789	LGPPKANRAXTVGM-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
CC1CN(Cc2cc(C(=O)NN)no2)C1	698599685	KEBOFOQCNQYDTC-UHFFFAOYSA-N	210.237	-0.270	50	10	BBGE	
NC(=O)NNC(=O)CSc1ccncc1	700872474	DUABSQSZDPRSBY-UHFFFAOYSA-N	226.261	-0.127	50	10	BBGE	
CCC[C@@H](CC(=O)NCB(O)O)n1ccnc1	702032828	STCIDHSEFOEITI-VIFPVBQESA-N	239.084	-0.257	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H]2NCCN[C@@H]2C1	706210786	AWOPWJFSWURQGV-KXUCPTDWSA-N	226.324	-0.691	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706300126	KCSFSJXSGLYTCD-YTWAJWBKSA-N	240.351	-0.506	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1O	708125053	RWWGAFCWXKFEIV-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
Cc1[nH]nc(C(=O)N2CCC(O)(C#N)CC2)c1N	709390450	KSOFPDXWACCIDD-UHFFFAOYSA-N	249.274	-0.209	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COCC[C@H]2Cl)n1	710869955	KDYOQCJDKWSXDQ-SVRRBLITSA-N	244.682	-0.059	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COCC[C@@H]1O	710956503	VWSPARFBWDOEFS-WDSKDSINSA-N	229.685	-0.748	50	10	BBGE	
CC(C)C(=O)N1CCc2ccc(B(O)O)cc21	713033781	HUVBHSWNVLZTGQ-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)co1	780611345	VDQLZOSIRNLEBQ-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CCN1CC(CN(C)[C@@H](C)[C@H](C)C(=O)NN)C1	822037732	VTCJIYWRPVOEFE-UWVGGRQHSA-N	242.367	-0.116	50	10	BBGE	
CC1=NO[C@@H](C(=O)NNC(=O)NC(C)C)C1	824403799	BLUIPJGMNXJSBM-SSDOTTSWSA-N	228.252	-0.110	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@]2(O)C1	882736592	NNBRVKHCFDIDSC-WDSKDSINSA-N	211.670	-0.421	50	10	BBGE	
CN(NC(=O)/C=C/Cn1cncn1)C1CC1	911291036	DAKMIYPDNPLVOJ-NSCUHMNNSA-N	221.264	-0.040	50	10	BBGE	
C=C[C@@H](C(=O)O)N1C[C@H](Cl)C(=O)NC1=O	952960767	QJRYZLCNWYWWOM-WHFBIAKZSA-N	232.623	-0.215	50	10	BBGE	
O=C(CCCCCO)NNC(=O)c1ncon1	1558630511	JCWCZNTTZVRCOT-UHFFFAOYSA-N	242.235	-0.617	50	10	BBGE	
COc1coc(C(=O)NN(C)C(N)=O)cc1=O	1566497559	XYJVKHYMHAIMQU-UHFFFAOYSA-N	241.203	-0.696	50	10	BBGE	
NC(=O)CCC(=O)NNc1nc2ccccn2n1	1616175955	ZOTWRTLJLBDTAR-UHFFFAOYSA-N	248.246	-0.562	50	10	BBGE	
O=C(CCn1cccn1)NNC(=O)c1cc[nH]n1	1640340743	FGEMBILNEBMCRO-UHFFFAOYSA-N	248.246	-0.543	50	10	BBGE	
N=c1[nH]nc([C@H]2C[C@H]2Br)n1N	1880435826	GXCQLNMBBKZLTA-STHAYSLISA-N	218.058	-0.345	50	10	BBGE	
O=C1NCC2(CN(CCBr)C2)N1	1880688262	FOKRVAUWLSZDGE-UHFFFAOYSA-N	234.097	-0.252	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1[C@H]2OCC[C@@H]21	1881721958	RSSOZHDYIUOWLS-QYNIQEEDSA-N	225.697	-0.068	50	10	BBGE	
Cn1c(Br)nnc1CNC(=O)NN	1882041637	USFNXCJGYWOJNK-UHFFFAOYSA-N	249.072	-0.750	50	10	BBGE	
O=C(NC1(CO)COC1)[C@H]1C[C@@H]1Cl	1883640330	SGBAAMUERAGPON-WDSKDSINSA-N	205.641	-0.509	50	10	BBGE	
O=[S@@](NCC#CB(O)O)C1CCCC1	1895048672	CEZDTYGRUZOYLH-CQSZACIVSA-N	215.083	-0.802	50	10	BBGE	
COC[C@@H]1C[C@@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1895269770	QRVVTQHKUGNJFT-WDSKDSINSA-N	243.698	-0.108	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCN1CCOCC1	1900894106	ZFRFUDKTRXEEGL-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
C[C@@H](N)C=CC(=O)NN(C)S(=O)(=O)C1CC1	1901359524	YNMMEVOSYOTKDO-SSDOTTSWSA-N	247.320	-0.655	50	10	BBGE	
C[C@@](O)(CO)[C@@H]1CCN(C(=O)CCl)C1	1902215857	LBUWEELXVMOPIP-VXNVDRBHSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H]1CC2CC(CN(C)CC(=O)NN)(C2)O1	1902489860	PNZDBZAPGMAFJF-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C=CC(=O)O)C1	1902511500	HWFBIXVHCLRCQW-VIFPVBQESA-N	227.025	-0.907	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H](C)C(N)=O)C(=O)NN	1902715733	KDTWQVGTJBKVTF-XVKPBYJWSA-N	230.312	-0.802	50	10	BBGE	
CC[C@](C)(CN1[C@H]2COC[C@H]1C2)C(=O)NN	1902720911	VKGPNSTVMOHFRQ-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
C#CCONC(=O)c1csc(C)c1B(O)O	1902869761	ZFAQJXWZKKEKPQ-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@H]1C1CC1	1913605404	GCGZWTFUNAGZDI-DTWKUNHWSA-N	246.075	-0.254	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C(C)(C)C(N)=O	1915521551	BOZKUUZRTBSREJ-MRVPVSSYSA-N	244.339	-0.413	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)[C@@H]1CCNC1=O	1916840687	XNKDWVJBXMWCKU-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
O=C(NN=c1ccc2nncn2[nH]1)C(F)(F)F	1923841417	TWEFFCKQGZBEHL-UHFFFAOYSA-N	246.152	-0.448	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926418760	CXIBUYXEGSPMDP-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	1927914182	RHSPKLAWDTXKEZ-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
NC(=O)COC1CCN(C(=O)CCl)CC1	1928133218	RSNRPSOJOINJKJ-UHFFFAOYSA-N	234.683	-0.282	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@H]1CO	1929742812	ZAXQZEJJQLWWQB-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](OC[C@@H]1COCCCO1)C(=O)NN	1933318530	XUPIZTSHTKSRHM-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
Cc1cnn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1	1936082174	NQGCFHXHFXHYCP-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
CC1(OCC(=O)NCB(O)O)CCCCC1	1936814483	DSQMXFKLYXVQGD-UHFFFAOYSA-N	229.085	-0.146	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2OCC[C@@H]2C1	1937815984	IXDSRRBFWWWMHF-BWZBUEFSSA-N	227.264	-0.950	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H]2[C@H](C(=O)O)[C@@H]21	1938152908	HBLNPPBMAAYWHJ-GJMOJQLCSA-N	227.264	-0.032	50	10	BBGE	
NNC(=O)C(=O)N1CCCC12CCSCC2	1939201728	BTLCQZQHQQOLCC-UHFFFAOYSA-N	243.332	-0.136	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C[C@@H]1C[C@H]1C(=O)NN	1941090488	OFSUVLWQWCGKPF-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
C=C1CON(Cc2ccc(F)cc2B(O)O)C1	1944604819	XXRPFLCCNJYTEP-UHFFFAOYSA-N	237.039	-0.191	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1	1945891629	HPGBMWQKAJDQSJ-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
CC(=O)N1CCC([C@@H](N)[C@@H](O)C#N)CC1	1952876153	COFUCVPWXGVAOZ-VHSXEESVSA-N	211.265	-0.543	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cnc2ccnn2c1	1953037975	ISEHYTFUTJCLJA-VXNVDRBHSA-N	203.205	-0.386	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OCC[C@@H]2C1=O	1954075875	XADXXVIYUQGNOP-WDSKDSINSA-N	203.625	-0.001	50	10	BBGE	
CON(CCC(=O)NN)[C@H]1CCOC1	1956250345	GDNBGXMDIGFEFE-ZETCQYMHSA-N	203.242	-0.981	50	10	BBGE	
CN(C)NC(=O)N1CC=C[C@@H](C(=O)O)C1	1958548079	FGORUVDQVNRHRK-SSDOTTSWSA-N	213.237	-0.255	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)nc1	1962721055	CYMNGDGYHKUHDB-HTQZYQBOSA-N	240.018	-0.537	50	10	BBGE	
CC1(CF)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1975033809	RSWQVJMHZIXGFG-HTQZYQBOSA-N	215.272	-0.096	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cc(C(=O)NN)no1	1975982326	LQAFKSIBVVMFKI-YFKPBYRVSA-N	224.220	-0.601	50	10	BBGE	
NNC(=O)C(=O)NCc1cc2c(s1)CCC2	1976392000	FFOVUCYPVLJCFE-UHFFFAOYSA-N	239.300	-0.157	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	1976401996	KYTUGUBDAIYUTQ-KVPKETBZSA-N	231.246	-0.048	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CCCCC(=O)NN	1979616395	QGLHDHLFNGNWQE-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
NC(=O)NCCCN=c1[nH]nc(CCCl)o1	1979927241	LOCOUSJDDXZGOR-UHFFFAOYSA-N	247.686	-0.257	50	10	BBGE	
CCCn1ncnc1CN(C)CC(=O)NN	1980040765	ZHPDXVKCKYGCBC-UHFFFAOYSA-N	226.284	-0.890	50	10	BBGE	
CN(C[C@H]1C[C@]1(C)C(F)F)C(=O)C(=O)NN	1983684774	DHHNJNKNUWLXPB-ANLVUFKYSA-N	235.234	-0.274	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986732886	WJBXEHRISJSSKF-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
CCc1nc(C)cn1CC(=O)NNC(C)=O	1990773990	CJTZOCZMHURARH-UHFFFAOYSA-N	224.264	-0.079	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)C=CC(=O)Cl)C1=O	1991654012	GGYQWQRJQIFZBV-RXMQYKEDSA-N	244.634	-0.819	50	10	BBGE	
OB(O)c1ccc(CN2CC(CF)C2)c(F)c1	1996955637	ABFMHGIJBKJFBF-UHFFFAOYSA-N	241.046	-0.093	50	10	BBGE	
Cc1nc([C@H]2CCN2C[C@H](C)C(=O)NN)no1	1997763733	AOCLACULBLHNCE-POYBYMJQSA-N	239.279	-0.249	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1ncncc1B(O)O	2004912945	ZQPJJNNQZKMFQE-YUMQZZPRSA-N	233.080	-0.751	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)CC1	2005806029	IQTQSFFQHZAXIV-XAVMHZPKSA-N	235.287	-0.377	50	10	BBGE	
CN(CC(=O)NN)[C@H]1COC2(CCOCC2)C1	2009142113	FVHNEZJKZDBHLC-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)CCCO[C@H]1C[C@@H](n2cnnc2)C1	2012100059	RFOJZGSSNNHCBF-DTORHVGOSA-N	239.279	-0.232	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@H]2F)ncc1B(O)O	2014735119	LYFAUFIOJPJAQI-IONNQARKSA-N	239.059	-0.741	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)C12CC2	2014889657	RJYVKBWTUICBMG-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
COCCCOCC12CC(C(=O)NN)(CO1)C2	2023854191	RMPWEEWQXADWEO-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
CO[C@@H]1[C@H](N(C)C(=O)C(=O)NN)CC12CCC2	2025885591	BQEZQRWZUNDRQW-HTQZYQBOSA-N	241.291	-0.608	50	10	BBGE	
OB(O)c1cnc(N2CC3(CCCCC3)C2)nc1	2052467468	RASLATGRSGRBPU-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
CN(C)C[C@H]1CCCN1c1ccncc1B(O)O	2052499310	QXUQVNQDTMDDCF-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1COC2(CCC2)C1	2076749097	FRNUWRWUAMXFAU-VIFPVBQESA-N	249.075	-0.148	50	10	BBGE	
CCOC1CN(Cc2cc(B(O)O)cs2)C1	2211078292	LWUOFRYDMODYBG-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCC2=O)CCC1	2212267445	VXYJRVPNSCFCSI-UHFFFAOYSA-N	225.248	-0.704	50	10	BBGE	
CC(=O)NCCN(C)CC1(C(=O)NN)CCC1	2216531433	BTXVYGPVSJQLIS-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CCN(CC(N)=O)CC1(C(=O)NN)CCCC1	2216869209	AJRUVTFIWYASHC-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CO)CCCC1	2216882608	AYKGDLYABKPOCE-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
N[C@H]1CCCC[C@H]1Nc1ncccc1B(O)O	2217177709	MKCIWCUFFNIIOT-VHSXEESVSA-N	235.096	-0.557	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)c1cc(B(O)O)ccn1	2217179386	JYSRVORQKYRFQO-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
C[C@]1(Oc2nccc(B(O)O)c2F)CCNC1	2217187388	XTNXLWMXSUHRAT-JTQLQIEISA-N	240.043	-0.969	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1Nc1ncccc1B(O)O	2217200871	VQQLXHKZCOXJRD-WPRPVWTQSA-N	235.096	-0.877	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)n1	2222641901	ADUHOPVYBHJTMJ-ILWJIGKKSA-N	247.107	-0.300	50	10	BBGE	
CCc1c(Nc2cc(B(O)O)ccn2)cnn1C	2223666508	JOPAZGQBJXMDIT-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
Cc1nc(C)c(CNc2ccc(B(O)O)cn2)[nH]1	2223678386	BAPFRBJQAAFGGN-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
COc1cccc(Nc2ncc(B(O)O)cn2)c1	2223679676	SLBCHHLHXCAPDZ-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
CO[C@@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241496044	OUHZIVBDHFLEBX-ACZMJKKPSA-N	201.031	-1.000	50	10	BBGE	
CC1(C)C(=O)NC[C@@H]1NC(=O)NC(=O)CCl	2243248107	BNLKWQHOGLDJDZ-YFKPBYRVSA-N	247.682	-0.424	50	10	BBGE	
CC(C)(F)CNC(=O)c1nscc1B(O)O	2243347906	RTYRCQOJYLCECM-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C#CB(O)O)C1	2243357075	QSZDYFCUTGKTAJ-OPRDCNLKSA-N	223.081	-0.105	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@@H]2C1	2243358943	MCIUMEUTGTVGHV-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
O=C(NOCC1CC1)c1occc1B(O)O	2243364445	XFKAZQGLWSJMMC-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
N#CCNC(=O)c1ccc(Cl)c(B(O)O)c1	2243366864	JTDXVVHGABZJGX-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N(C)C	2243367569	VEFNFCIIZSXRCC-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
COC[C@H](C)NC(=O)c1sccc1B(O)O	2243373933	BIBKRBLMNAVHOZ-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
COCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243391442	KPTAHPRSYWGZKH-KYZUINATSA-N	227.069	-0.656	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCO1	2243397378	ZYUYPDFNZFCJPW-OYNCUSHFSA-N	227.069	-0.465	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=C(F)C1	2243399983	UDEJCYFSMIZYSK-UHFFFAOYSA-N	224.000	-0.996	50	10	BBGE	
O=C(NCc1cnco1)[C@H]1C[C@@H](B(O)O)C1	2243413399	FQUUAFRLAWLTLY-KNVOCYPGSA-N	224.025	-0.456	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)sn1	2243415053	NISORMVZKPGIQS-PHDIDXHHSA-N	240.093	-0.649	50	10	BBGE	
CCCNC(=O)c1ncc(B(O)O)cc1C	2243961502	FZUPUENLQHFEBM-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
CC[C@H](CN)Oc1cc(B(O)O)c(Cl)cn1	2245913170	NFFQCGMMWGDORZ-ZCFIWIBFSA-N	244.487	-0.469	50	10	BBGE	
OC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913565	UEULQDAZGSTSQC-XRGYYRRGSA-N	242.471	-0.793	50	10	BBGE	
O=C(N1CCOCC1)N1CCC(B(O)O)CC1	2246337466	DUNMXBMEKRRQTI-UHFFFAOYSA-N	242.084	-0.623	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]2C[C@@H]21)C(=O)C#CB(O)O	2247740601	MWMMOELQYSQTAU-DCAQKATOSA-N	235.092	-0.104	50	10	BBGE	
O=C(C#CB(O)O)N(CCO)c1ccccc1	2247741132	VEJQTWUMKOLIMJ-UHFFFAOYSA-N	233.032	-0.973	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCOC2)CC1	2247743847	KKZXFLUHJZBMKK-UHFFFAOYSA-N	237.064	-0.969	50	10	BBGE	
CC1(NC(=O)c2ccoc2B(O)O)CC=CC1	2247744137	OFPXPFJDLDNTHH-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
O=C(NCCN1CCCCC1)C1(B(O)O)CC1	2247754977	OOCYDCIJILJHGS-UHFFFAOYSA-N	240.112	-0.405	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C	2247761455	VJSQYEURXWZEGG-VXNVDRBHSA-N	236.080	-0.674	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2247771064	SPCBHMTWGNHQFX-MRVPVSSYSA-N	236.080	-0.464	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783158	ALLLKOLNNHESJF-ZETCQYMHSA-N	237.068	-0.992	50	10	BBGE	
CCc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)on1	2247796716	CAYJAXXAHYNRNE-BDAKNGLRSA-N	238.052	-0.284	50	10	BBGE	
CN(C[C@]1(F)CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800091	LDRCGGNCZJAVTO-KHQFGBGNSA-N	245.059	-0.564	50	10	BBGE	
O=C(NCc1cnccn1)[C@H]1C[C@H](B(O)O)C1	2247801270	YVEIWCZKQIZPOV-ZKCHVHJHSA-N	235.052	-0.654	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)C1CC(B(O)O)C1	2247804734	IEQRDLKKZUGFTB-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
O=C(N[C@@H]1CC[C@]12CCCO2)[C@H]1C[C@@H]1B(O)O	2247810086	UPSDQAITGDVIIC-WYOJIJJFSA-N	239.080	-0.323	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@@H]1CN	2247810216	VRFVOZASWJOWBD-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CC1	2247853347	KTMBNIAQINIDDF-SSDOTTSWSA-N	237.068	-0.992	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1	2247859364	MILBCKKMMXAWHK-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(F)cc1B(O)O	2247876018	HPYRIYNGWATZPF-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2occc2B(O)O)C1	2247879116	QTSGCGUHGPPRPH-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
COc1cc(C(=O)N2CCC2)ccc1B(O)O	2247886985	ISSGPWLEZPUDGZ-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@@H]1O	2247887876	SMJKCHCUORXHLD-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)CN1	2247893790	YLMDQHFFGNDWHT-AFWXGSBKSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247895016	NFKFCXYKCIYIFM-BZNPZCIMSA-N	245.059	-0.517	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1CO	2247895212	QBUCCNOHMVFMFR-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248586310	YYCMZLFOLPAMDB-KAVNDROISA-N	243.068	-0.439	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](F)C(=O)O	2248587339	OGMPUYDNEQPJAT-JWXFUTCRSA-N	247.031	-0.976	50	10	BBGE	
CCC[C@@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2248587394	OVVYZRKUNFWWTE-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
CN1CC[C@@H](CN2CCC(B(O)O)CC2)C1=O	2249353900	JYHBVWCEKRHSLZ-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
COc1nc(O[C@H](C)C(F)F)ncc1B(O)O	2249472994	FNLXIJXSBCLOMB-SCSAIBSYSA-N	247.994	-0.803	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccnc1F	2250004174	HPSYSIKVWMQAJB-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3occc3B(O)O)[C@H]1C2	2255487853	VXQNSGRWQNZRTG-VFWDIBGWSA-N	249.075	-0.122	50	10	BBGE	
CC1=CCN(C(=O)c2nccc(C)c2B(O)O)C1	2255575003	JYLBBCZNGBVPAU-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
O=C(NCCc1ccco1)c1coc(B(O)O)c1	2255688942	CDFMNXCRJRHKLL-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
CC(C)(NC(=O)c1cncc(B(O)O)c1)C1CC1	2255710710	ONQHIQRNCRGAED-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2coc(B(O)O)c2)C1	2255731902	MYUJCFCNEIEOAJ-PSASIEDQSA-N	247.059	-0.509	50	10	BBGE	
C#CC(C)(C)NC(=O)c1c(F)cccc1B(O)O	2255736372	LWUNVWAPSGEPRG-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1occc1B(O)O	2255738312	QZCDSPLHILKASP-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC[C@H](C2)C1	2255738510	UMYSTTAYJDKWTH-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
Cc1ncncc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2255768696	OMXLMLFVSBZQSH-ZJUUUORDSA-N	249.079	-0.394	50	10	BBGE	
COC[C@@]1(C)C=CCN1c1ccc(B(O)O)cn1	2257128478	QXNPHMVQKRZNIF-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
C#CCCN(C)C(=O)c1ncc(B(O)O)cc1C	2257494835	PLNSRKKNHNGNRW-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1occc1B(O)O	2258944794	YACAHMWGHVHGPL-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
CN(CC[C@H]1CCO1)Cc1cccc(B(O)O)c1	2263987742	ALHOADHDEYYLFH-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374690	IPCVZCDOUDHZFK-JLIMGVALSA-N	240.112	-0.646	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376038	FDYRURUIMKMDRU-XAVMHZPKSA-N	245.059	-0.565	50	10	BBGE	
Cc1cnc(OC[C@H]2CCN2C)c(B(O)O)c1	2298958540	VYLGZARXTUABCF-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
CC(C)N1[C@H]2CC[C@@H]1CN([C@@H](C)C(=O)NN)C2	2299131635	MQISKGXOIXZLCH-GARJFASQSA-N	240.351	-0.078	50	10	BBGE	
C=C(CN(C)Cc1nnn2c1CCC2)B(O)O	2301199087	SWJYLBIIDNNVQL-UHFFFAOYSA-N	236.084	-0.776	50	10	BBGE	
CN(C)CCNc1ccc(C=O)c(B(O)O)c1	2301421405	UGJFZMXTUPLSJY-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
N#CC1(F)CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2301430039	GCZAKSFFERCSAP-RKDXNWHRSA-N	240.282	-0.060	50	10	BBGE	
COCC1(C(=O)N2CC[C@@](C)(B(O)O)C2)CC1	2303105488	PGTIZSJWERWJMV-SNVBAGLBSA-N	241.096	-0.122	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@]23COC[C@H]2C3)C1	2303113176	YRZKUYFSBKAQRH-DVVUODLYSA-N	239.080	-0.512	50	10	BBGE	
CN[C@H](C)CCOc1ccc(B(O)O)cc1C#N	2317211348	KHGOJMWIVOPJMS-SECBINFHSA-N	248.091	-0.385	50	10	BBGE	
CC[C@@H](CO)NC=C(C#N)C(=O)NCCOC	2324627022	BQOYIQBGOYBNRU-JTQLQIEISA-N	241.291	-0.483	50	10	BBGE	
N#CC(=CNCCO)C(=O)NCCCl	2325272088	QHPHEAYTSJRURK-UHFFFAOYSA-N	217.656	-0.669	50	10	BBGE	
Cc1cn(C[C@H](C)C(=O)NN)nc1[N+](=O)[O-]	69760525	HEMAEWQNEXTDNA-LURJTMIESA-N	227.224	-0.274	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@H]1CCC(=O)N1	70681387	AUTLXHICLONFQQ-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@@H]2CCOC2)O1	82465492	WZVWHQAGOGFEOM-HLTSFMKQSA-N	230.264	-0.671	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CN)C1	82468105	OSBLSAFJKPPIBX-RKDXNWHRSA-N	214.313	-0.574	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(=O)NC(C)C	82470369	YPEQDZUNHUNCNM-QMMMGPOBSA-N	230.312	-0.789	50	10	BBGE	
CC(C)n1c(SCCC(=O)NN)n[nH]c1=O	82472664	PLOJEZLUNXUELY-UHFFFAOYSA-N	245.308	-0.376	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)CC1=O	84206970	LYMRLDXFSRRCJM-UHFFFAOYSA-N	233.655	-0.765	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	86190416	MUPASKMSESLBQJ-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H](C)CN(CC)C(=O)C(=O)NN	86440433	PJKUPSKSUCVYRT-SSDOTTSWSA-N	201.270	-0.129	50	10	BBGE	
CC(C)(CN1C(=O)CSC1=O)C(=O)NN	86598092	ALAGSEWETNSHKR-UHFFFAOYSA-N	231.277	-0.302	50	10	BBGE	
C[C@H]1CCN(CCn2cc(C(=O)NN)nn2)C1	110581366	OTHLUMAYOFDKQL-QMMMGPOBSA-N	238.295	-0.777	50	10	BBGE	
COCCOCc1ccc(B(O)O)cc1F	203184005	FEEUKRGISCDFAU-UHFFFAOYSA-N	228.028	-0.332	50	10	BBGE	
CCOCCN(C)Cc1ccc(B(O)O)cc1	211701264	QDLZONCVVCYFFT-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C1	216476460	QRDUFAYWFCMXQG-SFYZADRCSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](O)CCN(C)CCCC(=O)NN	220009059	XTZPYMMYTBGZJX-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)C[C@@H]1O	230357048	VHVIYFFRSBSRTR-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1cncc(CC(F)(F)F)c1	238636555	AHPOGZWUWDBHEH-UHFFFAOYSA-N	204.944	-0.134	50	10	BBGE	
CN(NC(=O)[C@]1(C)C[C@H]2CC[C@H]1O2)C(N)=O	249659168	VUWQRWBGUYBJBX-BRDIYROLSA-N	227.264	-0.014	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	251557746	PUXHONAHSXCLBC-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1CO	299911280	NIFFJAARVUMZJK-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)N1CC(NC(=O)[C@@H](C)Cl)C1	306567237	BPRHHOJYOVHMAW-RXMQYKEDSA-N	204.657	-0.039	50	10	BBGE	
O=C/C=C\[C@H](O)[C@H](O)CBr	307822111	JPSNWESNMHSJOW-COEFBKBTSA-N	209.039	-0.142	50	10	BBGE	
CN(C)NC(=O)N[C@@H](CC(F)F)C(=O)O	309065325	YYCPMHZZFWFPAR-BYPYZUCNSA-N	225.195	-0.129	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc(C2CC2)n1	309227803	CNJQETMYPVMSDX-ZETCQYMHSA-N	225.252	-0.667	50	10	BBGE	
COC(/C=C/B(O)O)(OC)C(=O)OC(C)C	309534896	FCUNGPKORMTLMC-AATRIKPKSA-N	232.041	-0.505	50	10	BBGE	
Cc1cc(Cn2ccncc2=O)oc1C(=O)NN	310612857	CQEUXMXXDFSQGI-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O	381544516	JOJVBJBGFNZXIY-NGJRWZKOSA-N	226.232	-0.767	50	10	BBGE	
CNC(=O)CC1CN([C@@H](C)CCC(=O)NN)C1	382294413	VVCREGAYQXCUNR-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H](C)C(C)(C)O	382990757	WXSNATJZTAEFGE-JGVFFNPUSA-N	217.313	-0.154	50	10	BBGE	
O=C(O)c1ccc(O)c2cc(B(O)O)sc12	396385479	QFLYHHLYWMKYGW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](N[S@](C)=O)c1ccc(B(O)O)cc1	404940900	RWVRJGAUHSUSHM-ZIDLFYJRSA-N	227.094	-0.690	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NN)CC1	692063984	NPGQGPUCWNCJOM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCC[C@@H]2N)CC1	692089739	DKCOEZVKCOOMEA-MNOVXSKESA-N	239.319	-0.299	50	10	BBGE	
C=C[C@@H](C)OCCn1cc(C(=O)NN)nn1	705979847	HZOLHTNGLUVFKF-SSDOTTSWSA-N	225.252	-0.527	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1CCOC[C@H]1Cl	706685141	LELQZCGUDRKJGW-RQJHMYQMSA-N	242.728	-0.221	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@@H]1COC[C@H]1O	708189063	JRAQHBUWFHKABA-BWZBUEFSSA-N	204.657	-0.191	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COCC[C@H]1Cl	711014141	GWHBDMWHWCBXBV-PHDIDXHHSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H](CN(C)C)Oc1c(F)cccc1B(O)O	713945263	NPADZXPXAKCPQY-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CC(=O)n1ncc2c(B(O)O)cc(F)cc21	716783520	GHGRURGBNJCVLT-UHFFFAOYSA-N	221.984	-0.485	50	10	BBGE	
Cc1cn(C)nc1CN(C)CCCC(=O)NN	723523796	MKVJOLOLSWQQIR-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
NC(=O)[C@@H]1CCN1S(=O)(=O)CCCl	757142622	GBBZDRIIWQERFL-YFKPBYRVSA-N	226.685	-0.885	50	10	BBGE	
C=C1CC(C)(C(=O)NNC(=O)c2cn(C)nn2)C1	869225818	GRLRXJWFUYNJTD-UHFFFAOYSA-N	249.274	-0.068	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(C)C[C@H](C)O	1556925930	APRHRFUTVZNWPV-VIFPVBQESA-N	244.291	-0.160	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O	1877848621	KGTVUHLCGHKOJF-JWXFUTCRSA-N	216.668	-0.197	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1(C(N)=O)CC1	1881967613	INOYTRKKNIOWQI-YFKPBYRVSA-N	204.657	-0.005	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H](O)CF	1883626165	CBVMZKKXWKOPCR-RXMQYKEDSA-N	209.604	-0.245	50	10	BBGE	
O=C(O)C1(NC[C@@H]2C[C@H]2Cl)CNC1	1893006006	QHFWVQGEWNLCBL-NTSWFWBYSA-N	204.657	-0.370	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1[C@H]2CNC[C@H]12	1893404743	JKSNZGLXWNNUFR-WDSKDSINSA-N	214.652	-0.358	50	10	BBGE	
Cc1nccn([C@H](C)CC(=O)NN)c1=O	1893840716	LCOWHKCPGSVVAI-ZCFIWIBFSA-N	210.237	-0.507	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1C[C@H](O)CCN1	1893983966	BBCASPLEWMUVBD-YNTFGVKOSA-N	232.711	-0.015	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	1896031887	HHSAHQIILJOYQN-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
COCCN1C[C@@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1897145101	BGRSBSPXSGCAMU-UKKRHICBSA-N	248.754	-0.105	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCC[C@H]1CSC2	1897756892	SLEARMHPQMPCQF-XVKPBYJWSA-N	243.332	-0.374	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC(CO)C1	1900505082	CGROYOOGKVQMGT-VHSXEESVSA-N	227.308	-0.683	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)c1cnn[nH]1	1901336388	DDXXYALRDIBTDS-UHFFFAOYSA-N	247.280	-0.879	50	10	BBGE	
CCOCCC(=O)N1CC[C@@](C)(B(O)O)C1	1902513347	QWFKAVZVJBMEOD-SNVBAGLBSA-N	229.085	-0.122	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@@H](O)C2)c1	1902669712	FCXWPJBWUPMKEM-DTWKUNHWSA-N	222.053	-0.913	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H](C(=O)NN)C2)CC1	1908363506	CWTDVBKWTSDKAW-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1ccncc1B(O)O	1909569104	INXFUNRGYIJAHF-BDAKNGLRSA-N	238.071	-0.197	50	10	BBGE	
CC1(F)CN(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1	1909808315	LTISIPBPRUNDBI-DTWKUNHWSA-N	245.298	-0.042	50	10	BBGE	
CN(C[C@@H]1COC(C)(C)CO1)C(=O)NN	1910136440	RYNGXOJXIMGNPC-SSDOTTSWSA-N	217.269	-0.305	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC12CCC2	1913633256	GBWWRUNKTVBTFP-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)S(=O)(=O)CC	1913827215	CCBNLKKQHRPEBQ-ZETCQYMHSA-N	237.325	-0.716	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)C12CCC2	1914402092	OOIPLYSCGLZQBM-SECBINFHSA-N	241.291	-0.857	50	10	BBGE	
O=C(Cn1cnnn1)N1CCC[C@@H]1CCl	1928696572	PBHVXTTXMFTXBS-SSDOTTSWSA-N	229.671	-0.097	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NNCCO	1929832394	RZSYHIBDOXHLHS-UHFFFAOYSA-N	204.270	-0.197	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2C[C@H]1C(F)(F)C2	1934688714	ZNYBTAYKZPAQQZ-WHFBIAKZSA-N	219.191	-0.768	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1938235014	FTHWMJHSKPHAPP-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CCN1C	1938247467	TZAUVJRVPODMOH-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](CO)C(C)(C)C	1941082714	HSXIBWQFLYJULD-IVZWLZJFSA-N	243.351	-0.049	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@H]1C[C@@H]1C(=O)NN	1941086760	KHDABLOXFUZPPB-MNOVXSKESA-N	242.367	-0.116	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1942496460	YFNCNEZRCHKFJS-CKYFFXLPSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCc1ncccn1	1943085305	SBAMAVSQTUKWLT-SECBINFHSA-N	237.307	-0.281	50	10	BBGE	
NNC(=O)CN1CC[C@H](N2CCCCCC2)C1	1948375194	QNGIKULPXIUEBW-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1COCCCO1	1948400918	QCENRPVTGAIAAC-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CCN(C(=O)CCl)[C@H]1CCNC1=O	1954036589	GOJHRVRUQFYECY-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
O=C=NC(=O)C1[C@@H]2CS(=O)(=O)C[C@@H]12	1954211040	CNJRRFSYVVTWLX-RFZPGFLSSA-N	201.203	-0.861	50	10	BBGE	
COC[C@H]1CN(CC(=O)NN)C[C@H]1C	1957358517	IOYIXSYXIJMCET-HTQZYQBOSA-N	201.270	-0.809	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@@H]1CCSC1	1961270527	HSZUEKYXUSQESZ-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
CON(c1ccncc1B(O)O)C(C)C	1961682373	YZTXSRHLEZMQRI-UHFFFAOYSA-N	210.042	-0.462	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cn(C)cn1	1974785967	RZTIOVIONZIFRG-ZETCQYMHSA-N	247.707	-0.061	50	10	BBGE	
NNC(=O)c1csc(CSC2CNC2)n1	1975143479	RIDSQFXOGCWOFV-UHFFFAOYSA-N	244.345	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@@H](C)C1	1978943459	COJRUHOYBVEBLD-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1C[C@H]2O	1981216196	GYLYZLNDXWASQK-DSYKOEDSSA-N	235.234	-0.933	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)Cc1nsc(C(=O)NN)n1	1981535543	JFXJJMOJPGRVFO-RITPCOANSA-N	241.320	-0.018	50	10	BBGE	
Cc1ccnc(OCCN(C)C)c1B(O)O	1982814629	NTPYNNHJWWBZEL-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
CC1(C)CC(n2cc(B(O)O)ccc2=O)C1	1984102745	WMAUXEOOPYATDW-UHFFFAOYSA-N	221.065	-0.111	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H](CCO)C(F)F	1984132232	OHHFBCRBKKHTKR-RNFRBKRXSA-N	239.266	-0.297	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1CCCC(=O)NN	1985714921	HUROKWDLPQQEPD-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1C1(O)CC1	1987341510	SWBGWCOGIVTQFW-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
CCn1nnc(CN(C)C[C@@H](Cl)C(=O)O)n1	1992054667	WASDOGXZEKQXKX-ZCFIWIBFSA-N	247.686	-0.183	50	10	BBGE	
CC[C@@H](OCC1COCCOC1)C(=O)NN	1994134469	CZZFDKOXUFBZFX-SECBINFHSA-N	232.280	-0.566	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NS(C)(=O)=O	1994194799	ZVLMOARPRLYQLR-UHFFFAOYSA-N	243.093	-0.645	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	1996646382	UADFDOVYBRUCDW-SVRRBLITSA-N	235.052	-0.859	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC12CC(CN(C)C)C2	1998042022	ZJLADHDXMCXUNZ-GRZMOONWSA-N	240.351	-0.219	50	10	BBGE	
COc1ccc(B(O)O)cc1OC[C@H]1CCO1	1998269617	DSMNRDPFWHGRTN-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C[C@H]3O)C2)CC1	1999848961	VXDZGKLGQMUKJB-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](O)CC12CC2	2003751784	AUAONBXNLAVADW-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
Cc1cnn(C2CN(CCCC(=O)NN)C2)c1	2003905752	YIOBOGFDRHMTRN-UHFFFAOYSA-N	237.307	-0.182	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1ccncc1B(O)O	2004918059	HABVWQLZLFYHSU-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCOC2CC2)n1	2004928997	IBPQUTSUSCWDDO-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCCN(C)C)n1	2007022598	HZNCQODWLIBLQV-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1nc(C(=O)NN)co1	2011155457	NGFCHEJEWDTKKS-SVRRBLITSA-N	240.263	-0.767	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC(CO)C2)C1	2013607980	GRCCYBQDLODTTE-JTQLQIEISA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](OC[C@H]1OCCOC1(C)C)C(=O)NN	2013876460	BHYZQTNAULVPAM-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CO)C12CCC2	2016081420	VFHVDWPROJWEBT-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COCCN(CCC(=O)NN)[C@@H]1CCCOC1	2020541938	SXONFLLHKITXOM-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H](F)C1	2022199893	LDPACEJLRKDDQO-QMMMGPOBSA-N	237.039	-0.450	50	10	BBGE	
NNC(=O)C12COC(CN3CC(CF)C3)(C1)C2	2023855138	XRXDDCKSRUEKHO-UHFFFAOYSA-N	243.282	-0.573	50	10	BBGE	
CC(C)(CN1Cc2cncnc2C1)C(=O)NN	2025620798	CUSARRDTHXLGLW-UHFFFAOYSA-N	235.291	-0.192	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1c(=O)oc2cccnc21	2028053455	VEJWVNPGYSUNSX-NKWVEPMBSA-N	248.242	-0.385	50	10	BBGE	
C[C@@H]1[C@H](C(=O)NCc2ccc(B(O)O)cc2)[C@@H]1C	2043288430	ZUAIVGNCABYTDA-BZBKMWRSSA-N	247.103	-0.115	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@H]3C2)c1B(O)O	2068130581	ZIKJNMVYRYTQAI-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncncc1B(O)O	2084423042	SECMJLWZMGOYJU-ILWJIGKKSA-N	247.107	-0.076	50	10	BBGE	
C[C@@H](CN(C)[C@@H](CO)CC1CC1)C(=O)NN	2210716713	MQTIZGVHLMAQHW-WCBMZHEXSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](N)CCCNc1ncccc1B(O)O	2212602849	KOTKWSJYTWFJOG-QMMMGPOBSA-N	223.085	-0.699	50	10	BBGE	
O=C1CCN(Cc2cccc(B(O)O)c2)CC1	2214593594	VLCOAPLGBMEYMT-UHFFFAOYSA-N	233.076	-0.469	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COC[C@@H]1COCCO1	2215771040	FUGDLWWECISXDA-KXUCPTDWSA-N	244.291	-0.566	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@H]1CC[C@@H]1C(=O)NN)C2	2215771214	GVVUEDTZJIPXHB-WDCWCFNPSA-N	239.319	-0.134	50	10	BBGE	
CC(C)CNCCOc1ncccc1B(O)O	2217165422	HJSAUDFDIKRUQM-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCCO2)c1	2217179377	JXQCHCQNHLUADF-JTQLQIEISA-N	236.080	-0.258	50	10	BBGE	
COC[C@H]1CC[C@H]1Nc1ccc(B(O)O)cn1	2217180807	LBQLXZIHMFBDFJ-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@@H](CN)C2)cc1B(O)O	2217181146	NLQNCDDJVBPMFO-DTORHVGOSA-N	236.080	-0.814	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217182364	COCHVOVUHLXOLT-WPRPVWTQSA-N	238.096	-0.359	50	10	BBGE	
Cc1cnc(N(C)C2CC(O)C2)cc1B(O)O	2217182988	HZPPIDNLBNJYRM-UHFFFAOYSA-N	236.080	-0.971	50	10	BBGE	
Cc1c[nH]c(=NC[C@H](C)C2CC2)cc1B(O)O	2217183996	PINKTJKILUGRJZ-QMMMGPOBSA-N	234.108	-0.050	50	10	BBGE	
NC1CC(CCOc2cc(B(O)O)ccn2)C1	2217186071	FRJQOKYHQFYAIW-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)NCC[C@@H]1Nc1cc(B(O)O)ccn1	2217197786	QZNXSDYRUAMMKZ-VIFPVBQESA-N	235.096	-0.686	50	10	BBGE	
OC[C@H]1CCCCN1c1ccc(B(O)O)cn1	2217198069	VYXFSIFPZDPXCY-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
CCC(O)(CC)CNc1ncc(B(O)O)cn1	2217199339	BUTQFKOOXPMULI-UHFFFAOYSA-N	239.084	-0.881	50	10	BBGE	
OB(O)c1ccc(=NCCC2(F)CCC2)[nH]c1	2217203385	UFTBWRGCCMDJDU-UHFFFAOYSA-N	238.071	-0.123	50	10	BBGE	
OB(O)c1cccnc1NCc1cccnc1	2217205209	VNVGQDJZPNKVGU-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
OB(O)c1cccnc1NCC12CCC(CC1)O2	2223634021	DRPQCIDASOZYQD-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
O=S(=O)(NCCCCO)N1CC(Cl)C1	2241353245	FCEKKMQXPDMYPR-UHFFFAOYSA-N	242.728	-0.484	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658710	HAURLOWPMTUKBD-GBNDHIKLSA-N	206.673	-0.420	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243356541	JDPRFTLMBVROAW-SSDOTTSWSA-N	222.053	-0.611	50	10	BBGE	
O=C(Nc1nccs1)c1cc(B(O)O)c[nH]1	2243362993	ZNXZGOMUURAAQE-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)C1(B(O)O)CC1	2243364635	ZZMXCKSSZRUKOQ-YUMQZZPRSA-N	229.085	-0.485	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NCC1CC1	2243380937	ASBIQHHEFNYSHZ-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
C[C@H]1CN(C(=O)c2ncsc2B(O)O)[C@@H]1C	2243399377	ZTFVTNPNIFKMJY-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)c[nH]1	2243399594	NYOHBIQUDNXNKE-ZCFIWIBFSA-N	228.032	-0.828	50	10	BBGE	
CC1(C)OCCC[C@H]1NC(=O)C#CB(O)O	2243399795	QLXJUUKUIPKNKA-MRVPVSSYSA-N	225.053	-0.924	50	10	BBGE	
CC[C@H](N)CN(C)C(=O)C1CC(B(O)O)C1	2243404831	VGIWVSUKAFWNGI-HACHORDNSA-N	228.101	-0.565	50	10	BBGE	
C=C1COC[C@H]1NC(=O)C1(B(O)O)CCC1	2243409969	SFCXNPKPHNHCNX-MRVPVSSYSA-N	225.053	-0.545	50	10	BBGE	
CN(C)C(=O)c1cc(B(O)O)cn1C1CC1	2243412331	KUSJHKNIQBSUHM-UHFFFAOYSA-N	222.053	-0.795	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CCCO1	2243414085	SXRQHARCUZUTTF-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2243427258	SJWOKTQXFIHRQT-XAVMHZPKSA-N	227.069	-0.921	50	10	BBGE	
C[C@@H](O)C(=O)Nc1cc(B(O)O)ccc1Cl	2243664670	NPTIUGLFUWZLMD-RXMQYKEDSA-N	243.455	-0.661	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CC1	2243758632	IRVUHJMARIMKPT-LURJTMIESA-N	229.041	-0.685	50	10	BBGE	
O=C(CCC(F)(F)F)NCCC#CB(O)O	2244546905	SEFBKRCUJZUSFY-UHFFFAOYSA-N	236.986	-0.149	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2244901836	LKHABDUVEKPPCF-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCOC(F)F	2246811895	BFVPVTRJIOLBCP-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H](C)C(F)F	2247721436	DDBRVHCIIXQRAL-BYPYZUCNSA-N	247.006	-0.349	50	10	BBGE	
COC[C@H](CNC(=O)C1(B(O)O)CCC1)OC	2247734176	FXYTWMJKXNIMRC-QMMMGPOBSA-N	245.084	-0.839	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)oc1C	2247738635	TVVTUYJBFIJJTI-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC(F)(F)C[C@H]2C1	2247744709	WWZJXQSJLGNUKS-OCAPTIKFSA-N	243.018	-0.495	50	10	BBGE	
Cc1cc(C(=O)N(C)C2CC2)ccc1B(O)O	2247752319	MWZGACQLDIPECO-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CC1	2247758987	YUDAZUGJAPHTLI-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)c(F)c1	2247760641	LGBWIGDGOWPUKQ-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCC1=O	2247760868	PCKJWZAQJYTONY-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)cn1C	2247762987	LDXWIEZDNMJOLV-VIFPVBQESA-N	236.080	-0.671	50	10	BBGE	
COCCCNC(=O)c1cc(C)c(B(O)O)o1	2247788250	BYGKQNHJDNVWIQ-UHFFFAOYSA-N	241.052	-0.966	50	10	BBGE	
Cn1cnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)c1	2247800610	QQLGAWQKOAICJN-ZKCHVHJHSA-N	237.068	-0.711	50	10	BBGE	
C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247801004	VZGHQDXGTNVETF-UTLUCORTSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1ccoc1B(O)O	2247846458	GXXSERZAOOFCPS-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
CC(C)C(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2247848422	LRGLEIRBNXDTOP-UHFFFAOYSA-N	238.096	-0.141	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1COc2ccccc21	2247849388	ZKIIRZDBZMOZIM-SECBINFHSA-N	231.016	-0.748	50	10	BBGE	
CC(C)[C@H](N)CCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247859718	OKYICBVIBLFQJT-IVZWLZJFSA-N	242.128	-0.319	50	10	BBGE	
O=C(N1CC[C@@H](OC(F)F)C1)C1(B(O)O)CC1	2247870782	PRZVEWAHWZAOJO-ZCFIWIBFSA-N	249.022	-0.167	50	10	BBGE	
O=C(N1CCC(F)(CO)CC1)C1(B(O)O)CC1	2247871590	DPMWWWHNPZAQFC-UHFFFAOYSA-N	245.059	-0.684	50	10	BBGE	
CC[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	2247892896	JJBLFDQVFVVYAE-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)CC(NC(=O)c2c[nH]nc2B(O)O)C1	2247893446	RXALEWMBDLOMNR-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
O=C(NCCN1CC=CC1)[C@H]1C[C@@H](B(O)O)C1	2247894092	CGXBIRFJASJFHS-AOOOYVTPSA-N	238.096	-0.773	50	10	BBGE	
N[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247895337	RGFBDRFWNLRXLD-KBIXCLLPSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247899335	MNCYMOBXHPGLTQ-XFWSIPNHSA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(C(=O)O)CCC1	2248588762	HVGVSKHQSVUPJS-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CC[C@@H](N)C2)CC1	2249155903	VCICZGXAWKTDSW-SECBINFHSA-N	238.291	-0.510	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1cocc1B(O)O	2249412645	YWHZQLKTXFUTLC-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)c(N)c1	2249909660	MJQGIYWWIWAZNB-UHFFFAOYSA-N	234.064	-0.125	50	10	BBGE	
NNC(=O)CCN1CCC2(CC[C@@H](O)C2)CC1	2250537312	OJUMOBSMOJLUIA-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]2C2CC2)n1	2254573696	KCXVJNXNRARKCN-JTQLQIEISA-N	248.091	-0.241	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1ccncc1B(O)O	2255452083	CZLJHVFIMNVGDU-BDAKNGLRSA-N	248.091	-0.511	50	10	BBGE	
CC1CN(C(=O)c2cc(B(O)O)cn2C2CC2)C1	2255501564	CDHOHMHMDBPUIZ-UHFFFAOYSA-N	248.091	-0.405	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCCN1	2255510308	VFVUOHKAFXUHGI-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC2CC1C2	2255513291	OCJWTWLEXPERHS-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
Cc1cc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)ccn1	2255571865	SJQXVCHWYFHPHY-QWRGUYRKSA-N	248.091	-0.088	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCCC[C@@H]21	2255726694	GLTRKOGXTFKVIQ-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC2COC2)c1	2255734754	GTMAVJWOONODBC-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC2(CC2)C1	2255955132	JBZUGCAQFJTBBD-UHFFFAOYSA-N	247.059	-0.692	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2O)[C@@H]1C	2256013220	DEHQPTWKSLIKCV-HTQZYQBOSA-N	249.075	-0.448	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258137202	TYDALFOQYUDLAU-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298375222	ALFSNMJAACSXTE-SDNRWEOFSA-N	239.080	-0.513	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC[C@@H]1CO	2300362695	FMUPJTKIBWZSGR-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CO[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	2301612988	BGRSUQFKCBRZHG-XHNCKOQMSA-N	239.279	-0.376	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@@H]1C(N)=O	2302061674	UTGXYDSLTGFDCM-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
CCCOCCN=c1cc(B(O)O)c(F)c[nH]1	2303834465	GOUYYFUVFHWPLZ-UHFFFAOYSA-N	242.059	-0.839	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1occc1B(O)O	2312849315	RACAQSUQPULLGM-XKSSXDPKSA-N	247.059	-0.346	50	10	BBGE	
C[C@H]1NCC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317160350	CKDPFTQLOGCZCZ-KCJUWKMLSA-N	245.091	-0.600	50	10	BBGE	
O=Cc1ccc(N2C[C@@H]3C[C@H]2CO3)cc1B(O)O	2317307994	GKPUVGZHLYAQEM-QWRGUYRKSA-N	247.059	-0.844	50	10	BBGE	
O=Cc1ccc(Nc2cncnc2)cc1B(O)O	2317311088	KPGJSOQWVREUGH-UHFFFAOYSA-N	243.031	-0.288	50	10	BBGE	
C[C@H](NC(=O)Nc1cccc(B(O)O)n1)C1CC1	2317591265	WOTPRHBPVDRKSO-ZETCQYMHSA-N	249.079	-0.319	50	10	BBGE	
NC(=O)N/N=C1/CCC/C(=N\NC(N)=O)C1	33697737	XQPBAUJQNURZNH-JTAXDKCCSA-N	226.240	-0.391	50	10	BBGE	
COc1cc(C)nn2c(C(=O)NN)nnc12	75848709	CQHLVNFVNDKVHQ-UHFFFAOYSA-N	222.208	-0.955	50	10	BBGE	
CNC(=O)C1=CNC2=C(C=O)CC[C@@H](C)N2C1=O	82312117	ZTALTMXSASSYNJ-SSDOTTSWSA-N	249.270	-0.359	50	10	BBGE	
CC[C@@H](C)N1CCN(CCC(=O)NN)CC1	82471107	LBIBQDCBQRRZRS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)CCN1C	82485339	FOLSMIXDYCJZIK-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC(C)C(=O)NCCNS(=O)(=O)CCl	82512995	NKKFHARHXCKYLX-UHFFFAOYSA-N	242.728	-0.126	50	10	BBGE	
C[C@H](CCN)SC[C@H]1CC[C@H](C(=O)NN)O1	85341746	RFMIQRFGKDDBLJ-IWSPIJDZSA-N	247.364	-0.006	50	10	BBGE	
CN(CC(=O)N(C)C)CC(C)(C)C(=O)NN	86597726	VDXFEDDXMKPCAI-UHFFFAOYSA-N	230.312	-0.978	50	10	BBGE	
CN1CCN(Cc2ccoc2C(=O)NN)C1=O	110601472	ZOUANJXQONBALC-UHFFFAOYSA-N	238.247	-0.250	50	10	BBGE	
NNC(=O)c1ccoc1Cn1ncccc1=O	110920082	OCGZAHQZYRADDI-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC[C@@H](C)O	135781447	DBLNVUYYIGIUKW-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
Cc1cn([C@@H](Cl)C(=O)O)c(=O)[nH]c1=O	146150545	VMHMQJOVZMPGMZ-SCSAIBSYSA-N	218.596	-0.333	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(=O)NCC(C)C	158904254	WCMKUJKIVNNAJT-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=O)CCCS1	164985989	JLMACRDVOWQJRI-ZETCQYMHSA-N	203.267	-0.028	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1cc(=O)[nH][nH]1	170277898	GUSBZUVDDJFGHS-BYPYZUCNSA-N	203.629	-0.054	50	10	BBGE	
Nc1ncccc1NCc1cccc(B(O)O)c1	196232471	ZWDPKOIXIDIRQT-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
CCN(C)C(=O)CNC(=O)NC(=O)[C@@H](C)Cl	221762396	XMHKWAKOYJYEPG-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
NNC(=O)CCCN(CCO)CC(F)(F)F	231593909	HKPUMSGUTAZMKS-UHFFFAOYSA-N	243.229	-0.387	50	10	BBGE	
CNC(=S)NNC(=O)c1[nH]cnc1C	238362863	MRGPRCKEDNVILO-UHFFFAOYSA-N	213.266	-0.543	50	10	BBGE	
CC1=C(C=O)CN2C=NC(O)=C(N)C2=N1	257582769	HNSZPZKWVSUPLP-UHFFFAOYSA-N	206.205	-0.099	50	10	BBGE	
CN1CCC([C@H](N)CC(=O)NN(C)C)CC1	259203332	ZAUWFBHRPXMHRI-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
NC(=O)CSC[C@H](O)CBr	300838720	QGZSKHGKCUOHDH-SCSAIBSYSA-N	228.111	-0.039	50	10	BBGE	
CO[C@@H]1O[C@@H]2[C@H](Cl)C(=O)O[C@H]2[C@@H]1O	307147047	HQNVETSECVIEJK-GHQVIJFQSA-N	208.597	-0.749	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(CC(N)=O)C1	382273942	QBSPUVPKXKYIDP-VIFPVBQESA-N	242.323	-0.802	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(N(C)C)C1	382341044	KMTLFFAFEUDDIV-SECBINFHSA-N	214.313	-0.753	50	10	BBGE	
C/C(N)=C(\C#N)C(=O)C(=O)/C(C#N)=C(\C)N	383921979	LLNASDIMUCQSCH-CGXWXWIYSA-N	218.216	-0.363	50	10	BBGE	
N#Cc1ccc(B(O)O)cc1CC(=O)CCl	396078718	QQXLKMPASLJOFZ-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
Nc1c(B(O)O)cc2sccc2c1CO	396240431	HIYFHBAAMMBBCT-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CN(C)C2)C1	398755740	SUHHXIGDUXUPLN-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cncnc1	405006830	SGWLTRTYKFZPCH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(CCl)N1CCN2C[C@@H](O)C[C@H]2C1	405633463	ASMKJDGFSQQXEM-YUMQZZPRSA-N	218.684	-0.497	50	10	BBGE	
COc1c(F)ccc([N+](=O)[O-])c1B(O)O	575708865	SKNBOCIEDANSOM-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(C#N)C1	693992988	UXTIXUIUHOAKBS-WPRPVWTQSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](Cl)CNC(=O)c1nnn(C)n1	697203451	FYFIIRBQXIIZLZ-BYPYZUCNSA-N	203.633	-0.433	50	10	BBGE	
Cn1nccc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703475640	YHMOOXRULCGFFG-IUCAKERBSA-N	235.243	-0.164	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)C[C@@H]1CO	705326535	YUOYWTBOXLTLKA-YIZRAAEISA-N	223.700	-0.881	50	10	BBGE	
CS[C@@H]1CCC[C@H]1N(C)C(=O)C(=O)NN	707270361	DDXKCGFNWIOPBB-RNFRBKRXSA-N	231.321	-0.281	50	10	BBGE	
NNC(=O)c1csc(Cn2cncn2)c1	711227658	FQBLAXRBZOKJLX-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C[C@@H](CN1CCN2CCC1CC2)C(=O)NN	722807467	ZPJXHLBDGWAWHD-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CON(C)C1CN(C(=O)NC(=O)CCl)C1	725700620	SZDZGMBJGIGQJK-UHFFFAOYSA-N	235.671	-0.361	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(C)C(N)=O	1446327754	ALGOACHMTQAHEL-UHFFFAOYSA-N	211.225	-0.373	50	10	BBGE	
O=C(NNC(=O)C1(O)CCCC1)c1ncon1	1558630741	POFAAMZHRFYLAX-UHFFFAOYSA-N	240.219	-0.864	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)c1cccnn1	1644567213	BNBDCSHSIAXBFV-ZETCQYMHSA-N	238.247	-0.744	50	10	BBGE	
C[C@@H](Br)C(=O)NCC(CO)CO	1880806622	WRNSKFTVKZVPLE-RXMQYKEDSA-N	240.097	-0.513	50	10	BBGE	
N#CNS(=O)(=O)CCOCCCl	1881214184	HJNAFOSOGXLGRC-UHFFFAOYSA-N	212.658	-0.358	50	10	BBGE	
O=C(NC1(CO)COC1)[C@H]1C[C@H]1Cl	1883640320	SGBAAMUERAGPON-NTSWFWBYSA-N	205.641	-0.509	50	10	BBGE	
CO[C@@H](CNC(=O)NN)C(F)(F)F	1883671828	ZMWVODVFSVKVBA-VKHMYHEASA-N	201.148	-0.263	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1nc[nH]n1	1885227194	OKAMTSYQNBRADI-UHFFFAOYSA-N	234.668	-0.675	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@H]1CO	1886211591	LJGHCYLQCLMHCR-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@H](O)C[C@H]1CO	1886211691	NEUHYTSVKJVIGR-FKSUSPILSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](CO)CN1CC[C@@](C)(B(O)O)C1	1891586330	RXLHVNPMRIEGEL-DTWKUNHWSA-N	201.075	-0.446	50	10	BBGE	
C=C(CN(C)S(=O)(=O)CCC)B(O)O	1895190272	CSEFZWGRTMKTHB-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@@H]2CCO[C@@H]21	1895441746	VOWOOGTWQDIMMA-CBHQDSPSSA-N	223.228	-0.310	50	10	BBGE	
CN(NC(=O)[C@H]1CCCN1)S(=O)(=O)C1CC1	1901348450	JJVASGSRJXMYTQ-MRVPVSSYSA-N	247.320	-0.806	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C)CCCC(=O)NN	1901767105	ZLHIWRPZODMHSQ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CCNC2=O)C1	1902515795	LYLGDAGMJAABMQ-SCZZXKLOSA-N	226.085	-0.939	50	10	BBGE	
CC[C@](C)(CN(C)[C@H](C)C(N)=O)C(=O)NN	1902715730	KDTWQVGTJBKVTF-GMSGAONNSA-N	230.312	-0.802	50	10	BBGE	
OB(O)c1nnc(C2CCOCC2)s1	1904503827	OWERRVUDRRMJSG-UHFFFAOYSA-N	214.055	-0.888	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@H]1C[C@H]1B(O)O	1905021920	WGJNIFPSAYXNCK-XLPZGREQSA-N	226.085	-0.813	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@]12COC[C@@H]1C2	1906058678	GVIGKNGJQDZSHO-GUDRVLHUSA-N	239.319	-0.419	50	10	BBGE	
CCN1CCC(=O)N([C@@H](C)CC(=O)NN)C1=O	1906995591	RFHNANWJAHEXQK-ZETCQYMHSA-N	242.279	-0.571	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N=[N+]=[N-])C1	1912201528	VTHATKFFYUZXQC-ZETCQYMHSA-N	226.240	-0.462	50	10	BBGE	
C[C@H](Cn1cccc(C#N)c1=O)C(=O)NN	1912220272	BKTHRJHUJRPSJM-SSDOTTSWSA-N	220.232	-0.654	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(COC2)C1	1915567457	JGGYPLSNSXBDAK-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917099753	BBFZDUHHALKJSD-KOLCDFICSA-N	247.314	-0.203	50	10	BBGE	
C=C[C@H](NNC(=O)C(F)(F)F)C(=O)OC	1923409264	NQSCQCTZJGFHRH-BYPYZUCNSA-N	226.154	-0.103	50	10	BBGE	
CCN(CCC#N)CC(F)(F)C(=O)NN	1927816276	KOCKYZKMULAIBO-UHFFFAOYSA-N	220.223	-0.153	50	10	BBGE	
CCCN(CCCO)[C@H](C)C(=O)NN	1930054975	DKKFYRLJRCFKER-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@H]1C1CC1	1930436518	ZSTYZYYRDZSZDR-SFYZADRCSA-N	211.265	-0.329	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)CCCl	1932514012	RTQWUSSRLWZKIS-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
CN1CCO[C@@H]2CN(C(=O)CCl)C[C@@H]21	1933289781	MLPBTNHRFQKSLV-JGVFFNPUSA-N	218.684	-0.233	50	10	BBGE	
CC1(CO)CN(CCCC(=O)NN)C1	1935357714	CAIGVVVMKAALOZ-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)[C@H](C)C(=O)NN	1935545991	HJYIFNRWYQOPOO-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOC12CCCC2	1935978316	ABMSBBWOMJDRDB-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]1CC[C@H]2O	1936239161	SSWBYMDXOKKNEW-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1937151562	ATHQLOIAJJBQMT-UYXSQOIJSA-N	231.271	-0.719	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC=CCO2)C1	1938348293	RGRFMGORFPLRHT-SECBINFHSA-N	225.292	-0.214	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2OCC[C@@H]2C1	1938635897	JGKMUNGGRPHNQB-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@]2(CCO2)C1	1938676939	UDDYSUNEGCRZFY-MWLCHTKSSA-N	227.308	-0.134	50	10	BBGE	
CN1C[C@H]2CN(CC(F)(F)C(=O)NN)C[C@@H]2C1	1940893554	ZAQIJRKQLJLPEJ-YUMQZZPRSA-N	248.277	-0.895	50	10	BBGE	
CC[C@H](C)N(CCOC)CCOCC(=O)NN	1941775964	QVYQUAINLMWVIJ-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1CC1(C(=O)NN)CC1	1945883459	ZFSBVLUMWPEKQM-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)O[C@H]1CCCN(C(=O)C(=O)NN)C1	1948358586	VZVBPOROOFETTD-QMMMGPOBSA-N	243.307	-0.218	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949271551	UCZNMMTYEPLWJI-ZDCRXTMVSA-N	241.335	-0.011	50	10	BBGE	
CS(=O)(=O)CCN(C(=O)NN)C1CC1	1956763188	OTNKCKXTMBEHOM-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2ccc(B(O)O)n2)C1	1957977140	CQWRWFHHCIRTLY-RKDXNWHRSA-N	208.070	-0.001	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1958805137	PYGVIVQWLFTYCN-NXRLNHOXSA-N	233.695	-0.044	50	10	BBGE	
O=C(c1ncccc1F)N1CC[C@@H](B(O)O)C1	1964511273	YQQKYRIYXGGICM-SSDOTTSWSA-N	238.027	-0.090	50	10	BBGE	
CNC(=O)N[C@H]1CCCN(C[C@@H](O)CCl)C1	1978819394	BGDOWYLKTDPIIG-IUCAKERBSA-N	249.742	-0.021	50	10	BBGE	
C[C@@H]1CC(N(C)CC(=O)NN)C[C@@H](C)N1C	1979536667	BZIAEBLRDADUHF-RKDXNWHRSA-N	228.340	-0.221	50	10	BBGE	
NNC(=O)CCN(CCO)Cc1cccs1	1981031295	ZBXUBVJZPXOMKG-UHFFFAOYSA-N	243.332	-0.078	50	10	BBGE	
C[C@@H]1CC[C@@H](Oc2ncncc2B(O)O)C1	1981423976	MDOLEHCSHJSVPL-HTQZYQBOSA-N	222.053	-0.276	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)C3O)CC1	1981542768	DUIOFXZHHUHQEA-JVHMLUBASA-N	225.292	-0.931	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@H](n2cccn2)C1	1986221349	NFRXSBWLAZTTLG-KYZUINATSA-N	224.264	-0.017	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCCn1ccnc1	1986445146	JXBYWZJWBKTLQE-IUCAKERBSA-N	224.264	-0.474	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NCC=CB(O)O	1991327173	NYDDHPYYNMHMGA-HZGVNTEJSA-N	233.023	-0.038	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1nnc(O)o1	1993412936	QZGLAIIDMCZKNP-GSVOUGTGSA-N	248.626	-0.272	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccno1	1993848415	STBMLFFZOWRZSN-QMMMGPOBSA-N	228.252	-0.889	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(=O)N2CCC[C@@H]2C1	1996428437	ZUUKEMDUKMNOBZ-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
CC(F)(F)CC(=O)Nc1ccc(B(O)O)cn1	1996645860	PAWRKVBAMFTNCP-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
N#CC1CN(Cc2ncccc2C(=O)NN)C1	2000608414	VFRXJPHJJMHTMF-UHFFFAOYSA-N	231.259	-0.360	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]2(CCCOC2)C1	2004305770	BZELUWQEAAQXSY-NSHDSACASA-N	241.291	-0.605	50	10	BBGE	
CO[C@@H]1CCN(c2cc(C)c(B(O)O)cn2)C1	2004918495	MMNZEPXCCYRKMJ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CCOC[C@@H](C)Oc1nccc(C)c1B(O)O	2004936317	XYIUQLIOJSYWII-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
COC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1C	2006564183	VKJWVRLJUXPZKN-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
CO[C@@H](Cn1cc(B(O)O)ccc1=O)C(C)C	2008840434	MHHVZTJBFGOSGH-JTQLQIEISA-N	239.080	-0.801	50	10	BBGE	
CN(CCOc1ccccc1B(O)O)C1CC1	2018210659	QEGPQWRFPWRQDI-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)CC(=O)NNC(C)=O)CO1	2019213102	URADPHRVXIGNFI-NXEZZACHSA-N	243.307	-0.347	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1ncccc1B(O)O)C2	2026850901	ZIPNHXLVCURBNU-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1C[C@@H]2C[C@H]2C1	2028425374	HDGMBNWBMZELCB-IUCAKERBSA-N	246.075	-0.150	50	10	BBGE	
Cc1ncc(C(=O)Nc2cccc(B(O)O)n2)o1	2031812795	WDKBJEBPRRTUCV-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1nc(N2CC[C@H](C(C)C)C2)ncc1B(O)O	2052558142	WYRBSDORJRMXGX-JTQLQIEISA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cnc(-n2cc(C3CCC3)cn2)nc1	2052597675	SFZSCJPVDZFWNU-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
CCOc1ccc(OC)c(B(O)O)c1OC	2060040711	UCAZJAQOVGHDBK-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CCOc1cc(C=O)c(C)c(B(O)O)c1	2060148046	WFQSFEULSDFTIM-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1c(C#N)ccc(OC)c1B(O)O	2060198160	DYGWOMWLROKGDC-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccccc1B(O)O	2079008390	IYUWJZMQOKWSHQ-JQWIXIFHSA-N	245.087	-0.105	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccccc2B(O)O)CCO1	2079009688	KEEIORQIBIFSOP-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
Cn1ccc(COCc2ccc(B(O)O)cc2)n1	2080349110	ZLOPIMJLKBEVAQ-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@]3(C)C2)ncc1B(O)O	2087040416	HJEAHHUTBCHXPJ-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3COC[C@H]32)c1	2211072453	MFTACJTTWGMUQK-OIBJUYFYSA-N	239.105	-0.742	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2C[C@@]2(F)C1	2212308345	LJILHDMVHDGVEE-PSASIEDQSA-N	231.271	-0.573	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)c(F)c1F	2212544439	OKYWTFTWLWEQJS-INIZCTEOSA-N	249.047	-0.260	50	10	BBGE	
CC[C@@](C)(CO)Nc1ncccc1B(O)O	2212600209	AWRBIGXIJFEBNU-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCOC2)c1	2212603682	IOYFBXCMSPEZQC-MRVPVSSYSA-N	222.053	-0.790	50	10	BBGE	
C#CCN(CC=C)c1cc(B(O)O)ccn1	2212606243	QSZZFTPIFKRBJO-UHFFFAOYSA-N	216.049	-0.613	50	10	BBGE	
C=C1COC[C@H]1Nc1ccc(B(O)O)cn1	2212613135	SHARGQSZRTUHHM-SECBINFHSA-N	220.037	-0.872	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2214987294	CVKZTWHSFOIIMM-SZEHBUNVSA-N	239.080	-0.372	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)N(C)C[C@@H]1C	2216199697	PGRWINJCIJYTBT-LPEHRKFASA-N	244.339	-0.984	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H](O)[C@H]1CC2	2216253433	RTUOPBOOUODPPB-VPJKUYQRSA-N	239.319	-0.400	50	10	BBGE	
CCC1(O)CN(CC2(C(=O)NN)CCCC2)C1	2216873309	WTIACCUKMXBQCS-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1OCC[C@]1(C)Nc1ncc(B(O)O)cn1	2217177989	PVNTWTBFJRGUDK-XCBNKYQSSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(N(C)[C@H]2CCOC2)cc1B(O)O	2217179353	JSLREJVFMBVWRD-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CNC[C@H](C)N(C)c1cc(B(O)O)c(C)cn1	2217182346	CLDSJRKXUQCITC-VIFPVBQESA-N	237.112	-0.886	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Oc1ccc(B(O)O)cn1	2217184994	XLNDEWAARWNPOZ-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](C)[C@@H](CN)Oc1ccc(B(O)O)cn1	2217187694	CKXTVLAWHJEZEG-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
CNC(C)(C)CCOc1cc(B(O)O)ccn1	2217189621	GVQOBXQJGNMXJD-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
Nc1ccc(Oc2ncc(B(O)O)cn2)cc1	2217193026	KXUXPNHURKGRDL-UHFFFAOYSA-N	231.020	-0.469	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Nc1ccc(B(O)O)cn1	2217196208	QQJDQCOZBMDUSQ-NXEZZACHSA-N	235.096	-0.557	50	10	BBGE	
COC[C@H](Nc1ccc(B(O)O)cn1)C(C)C	2217197207	KYVOYFIPILTLBB-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
C=C[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	2217200173	ILPKRMCQIHKWGJ-SECBINFHSA-N	233.080	-0.441	50	10	BBGE	
C#CCOCCN(C)Cc1cccc(B(O)O)c1	2220057083	GLLRZZQJZMKMHD-UHFFFAOYSA-N	247.103	-0.552	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)[C@@H](C)CN1	2220063499	LWFPTFIJHDHOFV-QWRGUYRKSA-N	248.135	-0.451	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(Cc2cccc(B(O)O)c2)C1	2220064043	VPQQYLJYVWGWJF-MFKMUULPSA-N	249.119	-0.431	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1Cc1cccc(B(O)O)c1	2220073640	QTAVQTJXGRAHOU-PHIMTYICSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)c1	2223632194	GSAVJFSVQHCPGU-NNRMUWNLSA-N	242.087	-0.316	50	10	BBGE	
NC[C@H]1CCC[C@@H](Nc2ncccc2B(O)O)C1	2223674613	MGNXGUROGKHNKQ-VHSXEESVSA-N	249.123	-0.309	50	10	BBGE	
CC1(C)CN(C(=O)c2cscc2B(O)O)C1	2243347603	ONIKNNAQRMVEHM-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CC(C)(C)ONC(=O)c1nscc1B(O)O	2243348060	SLTDANOQFRAECJ-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
CC(C)[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243350074	VDEXKRGSABIGNF-SNVBAGLBSA-N	223.081	-0.104	50	10	BBGE	
CCc1nc(C(=O)N(O)CC)c(B(O)O)s1	2243358718	JSUIMLJOGAJKHO-UHFFFAOYSA-N	244.081	-0.763	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243364195	SPCHVUSXXSFWOE-VIFPVBQESA-N	221.065	-0.135	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)C2(B(O)O)CC2)C1	2243364567	ZASOMIHHAVRDBF-XWEPSHTISA-N	227.069	-0.729	50	10	BBGE	
CC1(C)CN(C(=O)c2occc2B(O)O)C1	2243364629	ZZDLUFSHOLPLGA-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
O=C(NCC1CCNCC1)C1(B(O)O)CC1	2243364827	CTDMHRBNNJVFFX-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N(C)O	2243366458	CISSDHNIQDCAAD-UHFFFAOYSA-N	226.041	-0.961	50	10	BBGE	
CN(Cc1cnsn1)C(=O)C1(B(O)O)CC1	2243370624	ZNWCSUYMVPMVNK-UHFFFAOYSA-N	241.081	-0.497	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243396428	MATQHSPHBVGQDZ-HXFLIBJXSA-N	226.085	-0.894	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C#CB(O)O)CC[C@H]1C	2243399048	JMBFKLJGFZDUHB-UTLUCORTSA-N	223.081	-0.057	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)on1	2243405072	ZDUMYVRKJLSKEE-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ncsc1B(O)O	2244147945	GHNXQUXTCFBGNV-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
CON(CC1CC1)c1ccncc1B(O)O	2245121165	HQVHMAYJOMFUSV-UHFFFAOYSA-N	222.053	-0.461	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@]2(O)C[C@H]2C1	2246741826	IPIFNPSYMRRXGM-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
CN(C(=O)Nc1ccc(B(O)O)cc1)C1CC1	2247208292	LHONKQPKSNLYOH-UHFFFAOYSA-N	234.064	-0.008	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)o1)C(C)C	2247737402	FXEGIQNSXBWLBD-MRVPVSSYSA-N	235.048	-0.653	50	10	BBGE	
O=C(C#CB(O)O)NCC=Cc1ccccc1	2247740501	LRAMTBBDOMFGQC-UHFFFAOYSA-N	229.044	-0.169	50	10	BBGE	
NC[C@H](NC(=O)C#CB(O)O)C1CCCCC1	2247741566	BPJDIDOVUZUXHS-JTQLQIEISA-N	238.096	-0.974	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)C[C@H]2CCCC[C@@H]21	2247742907	VWJVNGMJONQBCN-BDAKNGLRSA-N	235.048	-0.681	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1(C)CC1	2247744577	VDHOGDAQTZFEQP-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C(C)(F)F	2247750125	FENCHJKLLCLSDQ-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2(C)CC2)c1	2247752253	LUHIARYISPLTIC-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CC#CCNC(=O)c1ccc(F)cc1B(O)O	2247752326	NCEVHAFZTXZDCK-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)O	2247756271	SDYMLGQCAWJNIO-PSASIEDQSA-N	241.096	-0.387	50	10	BBGE	
CON(C(=O)c1ccc(B(O)O)cn1)C(C)C	2247775770	PSGKGESLTQWULX-UHFFFAOYSA-N	238.052	-0.827	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CO)[C@H]1C[C@H](B(O)O)C1	2247798776	XCXVWWRMDVSERL-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCCC12COC2	2247799486	DPDJJMWRMXAQTQ-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CCOC(=O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805759	CKZBVIOBRXQDQU-ZKCHVHJHSA-N	243.068	-0.691	50	10	BBGE	
CCc1nc(CNC(=O)[C@@H]2C[C@H]2B(O)O)co1	2247806269	DTZVSCNEHRCBPE-HTQZYQBOSA-N	238.052	-0.284	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCNC1	2247808450	VCRVHCZTEPQDNZ-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
CC(C)OCC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810452	XNGMOQXZDJNOCB-ZJUUUORDSA-N	241.096	-0.267	50	10	BBGE	
CCCN(CC(C)(C)CN)C(=O)C#CB(O)O	2247850333	MXHSEGAUGPCSTN-UHFFFAOYSA-N	240.112	-0.775	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1coc(B(O)O)c1	2247857813	YSIVBXZAAHYRHC-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
CC(C)N(CCN(C)C)C(=O)C1(B(O)O)CC1	2247877148	CKMNCBQKLMTPNR-UHFFFAOYSA-N	242.128	-0.208	50	10	BBGE	
CC(C)n1ccc(=NC(=O)C2(B(O)O)CC2)[nH]1	2247879305	SHODWKNMEQPLGI-UHFFFAOYSA-N	237.068	-0.169	50	10	BBGE	
C[C@H](CO)C(=O)Nc1ccc(F)cc1B(O)O	2248442334	RSGMJIPBYIUWIL-ZCFIWIBFSA-N	241.027	-0.928	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2248577757	PDOSHUMCBPLYQR-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)co1	2249429519	WIJAEHGUVNIEFM-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C[C@H]1C[C@H]1C(=O)NN	2250964834	YFFYNHKHANRYTA-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)COCCN1CC(F)(F)C2(CC2)C1	2252642030	KNPJUYLFIORQSH-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1nc(C)ccc1B(O)O	2255486965	IICCKNOROXUDSU-WPRPVWTQSA-N	248.091	-0.402	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(F)cc1B(O)O	2255501766	DMUPFQOKVNCAFM-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
Cc1ccnnc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2255567261	BQGUWKJKKFYJHI-RKDXNWHRSA-N	249.079	-0.394	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@H](C)C#N	2255736386	MJDHHQCTDVONSL-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
Cc1ncnc(O[C@H]2CC[C@@H]3C[C@H]23)c1B(O)O	2297869785	ZPFZVHRBBHIHPI-VGMNWLOBSA-N	234.064	-0.358	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@H]2C[C@H]21	2298165850	CEUUGYVSYXXXGY-ZDCRXTMVSA-N	238.335	-0.609	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375492	MBCMVRCVSXBZLK-UYXSQOIJSA-N	241.096	-0.628	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2C[C@H](C1)O2	2300371049	LTAKVQLCRZZPGI-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
CCCN(CCC)NC(=O)NC[C@H](O)C(=O)O	2302414618	HMQSKOBOOPSUNE-QMMMGPOBSA-N	247.295	-0.232	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@@H]2CCCCNC2=O)C1	2303098805	HFDYPEJYABJOCT-MWLCHTKSSA-N	240.112	-0.406	50	10	BBGE	
C[C@@H](CC(=O)O)CC(=O)N1CC[C@H](B(O)O)C1	2303112422	RVROYLHLNZQLFV-SFYZADRCSA-N	243.068	-0.437	50	10	BBGE	
COC(C)(C)CNc1cc(B(O)O)c(F)cn1	2303834667	JUUPRZAQAAEQTD-UHFFFAOYSA-N	242.059	-0.263	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1cc(B(O)O)ccn1	2304080685	AOVMYXZBFXNZDG-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
Cn1c(C(=O)NN)nc2ccc(O)cc21	75848613	YHLUJSSNVNMARJ-UHFFFAOYSA-N	206.205	-0.118	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC(C)(C)C1	82467977	GTORRXRKOBMTQC-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598446	XIRGXFHXEAOPJK-URJDPWSZSA-N	227.308	-0.257	50	10	BBGE	
CC(C)(CN1CCS(=O)CC1)C(=O)NN	86597886	HGAIGOQKYCGMBE-UHFFFAOYSA-N	233.337	-0.933	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)CC(C)(C)CN	93891539	XVYQUPWMJKHAMG-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
C[C@H]1CC[C@H](C(N)=O)CN1C[C@@H](C)C(=O)NN	104124357	QAXZIXQSUVATQV-VGMNWLOBSA-N	242.323	-0.802	50	10	BBGE	
CC[C@H](OCCOCCOC)C(=O)NN	125982102	OSYZQXHUJWGTPC-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(CCO)CC1	132470666	YXJPQYDKKFPCAR-SECBINFHSA-N	217.700	-0.273	50	10	BBGE	
CCOC(=O)C(=O)N(CC)NC(N)=S	141998216	DHQIANVOWWIKNP-UHFFFAOYSA-N	219.266	-0.854	50	10	BBGE	
CC1(C)NC(=O)N(C[C@H](O)CCl)C1=O	143783149	KFIFIGCBLVDYRO-RXMQYKEDSA-N	220.656	-0.084	50	10	BBGE	
CCC1(CC)C[C@H](NC(=O)C(=O)NN)CCO1	215408031	FMKKZZKETXPRLL-MRVPVSSYSA-N	243.307	-0.170	50	10	BBGE	
COC1=CC(C=O)=C[C@@H](OC)[C@@]1(O)C(C)=O	215641231	JLESQKIMSKNNJM-KOLCDFICSA-N	226.228	-0.009	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	219254680	OVPRGPKXQJOSED-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1COCCO1	232298684	RYOGJTLXCOTJKL-ZETCQYMHSA-N	243.712	-0.440	50	10	BBGE	
O[C@@H]1CN(CCCBr)C[C@H]1O	236541430	UJXFURHQKOYZKU-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](C)[C@H](C)C(=O)NN	252615201	YTXXCSHJPJJNIM-DTWKUNHWSA-N	244.339	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252634136	DNNOMKTYSUNAHT-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1CNCCO1	306327732	KOPDVESIXKHTFS-RXMQYKEDSA-N	227.091	-0.105	50	10	BBGE	
O=C(c1c[nH]nn1)N1CCOC[C@@H](Cl)C1	307236078	UVYNSPNMNKXALA-LURJTMIESA-N	230.655	-0.116	50	10	BBGE	
CC[C@@](C)(NC(=O)NC(=O)CCl)C(N)=O	308871488	SKIPMVSVAVBSQX-MRVPVSSYSA-N	235.671	-0.295	50	10	BBGE	
O=C(O)C(=O)NNc1nc(Cl)ncc1F	308876058	SHFLFNDJVUZODH-UHFFFAOYSA-N	234.574	-0.203	50	10	BBGE	
CC1(C)CN(C(=O)C(=O)NN)CCCO1	308915218	BBLZXXQCCYOXEC-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)c1ccc[nH]1	309399923	HGICXBOVRALEBA-LURJTMIESA-N	210.237	-0.487	50	10	BBGE	
Cc1nccn1-c1ncc(B(O)O)cc1Cl	380970194	AIRHLILKGPJXRN-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
O=C(NNc1ncc(F)cn1)C1CNC1	381794086	AXPXMKWHUHRCIZ-UHFFFAOYSA-N	211.200	-0.722	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C(N(C)C)[C@@H]2C1	384768269	OWEMOVSXWGLWSM-OPRDCNLKSA-N	240.351	-0.363	50	10	BBGE	
CCC(=O)NCCNC(=O)NC(=O)CCl	393052038	GSZVDERAVYYFPG-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
N#Cc1ccc2sc(B(O)O)cc2c1CO	396217360	IDEQPDLNTOOMBQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(C=O)cc2scc(B(O)O)c12	396257596	PHMXLFJAQLPYLZ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccccc1B(O)O	404945284	CBSFLBHWGPVYBB-ZETCQYMHSA-N	223.037	-0.660	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cncs1	405029287	NZVSTPMVTDTDOK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCNC(=O)Nc1cc(B(O)O)ccc1OC	405077496	ISODSHIUYSSBED-UHFFFAOYSA-N	238.052	-0.484	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](CO)C(C)(C)C	689332838	GTGQQZTZFAGSTD-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)CC1CC1	690927377	QJIQVWKRIGJUNZ-SECBINFHSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1CN(C)C[C@H](CN2CC(=O)OC(=O)C2)O1	697272039	GMERTMFUGWYEJZ-DTWKUNHWSA-N	242.275	-0.909	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)CC[C@H]1CO	701576697	SVQZPFVNTKILAY-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN(CCn1cnnc1)S(=O)(=O)CCl	707501173	MHJSEUGSUWEAML-UHFFFAOYSA-N	238.700	-0.264	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	709678442	KRATUPAZTNQDQE-GMSGAONNSA-N	235.048	-0.660	50	10	BBGE	
O=C(N[C@@H]1COCC[C@H]1Cl)[C@H]1COCCO1	710868727	ADRGUCGVUANRMG-IWSPIJDZSA-N	249.694	-0.086	50	10	BBGE	
C#C[C@@H](CO)NC(=O)[C@H](C)Br	718209934	KSFYEUJYNFHBCD-WDSKDSINSA-N	220.066	-0.120	50	10	BBGE	
Cc1cn(C)nc1Cn1nc(C)c(B(O)O)c1C	723960707	LMZXYGLAEMGIPH-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
CSCCC(=O)NNC(=O)[C@H]1COCCO1	744647704	WQHHXXCVKULPKO-SSDOTTSWSA-N	248.304	-0.698	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)C1CCCC1	746121445	IJANRVPLQGLFDH-UHFFFAOYSA-N	213.237	-0.801	50	10	BBGE	
COCCO[C@@H](C)C(=O)NNC1=NCC(O)=C1	748258920	FCUSADPFMDWCCN-ZETCQYMHSA-N	243.263	-0.487	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	756765712	JXBQCXPUOQSLBP-BIIVOSGPSA-N	212.249	-0.031	50	10	BBGE	
CC(C)(O)CCC(=O)NNC(=O)c1cnn[nH]1	787332466	VKJMQUGSDWZEDO-UHFFFAOYSA-N	241.251	-0.883	50	10	BBGE	
CN(NC(=O)/C=C/[C@H]1CCCO1)C(N)=O	819449384	LWOGMWUNDYABCI-SMMXGFFBSA-N	213.237	-0.237	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	854163244	MYHYEAUDROSPRR-ZMONIFLSSA-N	214.221	-0.344	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	854637504	DVFCWADCVFJSDX-XCBNKYQSSA-N	228.248	-0.750	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)c1cn(C)nn1	888082183	JOHWOOWDHMUQLW-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
CN(NC(=O)C1CN([C@H]2CCOC2)C1)C1CC1	898012355	UIYUSPLSNPVYDF-NSHDSACASA-N	239.319	-0.168	50	10	BBGE	
NC(=O)CCCCC(=O)NNC(=O)CC1CC1	1117772305	CPKLBUGRVMVXON-UHFFFAOYSA-N	241.291	-0.020	50	10	BBGE	
O=C(CCn1cnnn1)NN=c1cc[nH]cc1	1138147942	CEMYHZKRQBKJLW-UHFFFAOYSA-N	233.235	-0.977	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(C=O)n1C	1142141601	BKPDRODSAHYTQI-UHFFFAOYSA-N	224.220	-0.589	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnc2nccn2c1	1142534977	GDALSKCMGGQNSZ-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)C1CC1	1318904372	DJUZQZFAPZCPKX-UHFFFAOYSA-N	209.205	-0.226	50	10	BBGE	
C=C=CCNC(=O)c1cccc(B(O)O)c1	1450172011	UYKIAPLYFVUSFY-UHFFFAOYSA-N	217.033	-0.563	50	10	BBGE	
Cn1nncc1NNC(=O)c1cc(C#N)ccn1	1472569678	FPVRJHDHCKLWJW-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)c2ncccn2)c1	1557072824	QGQNJYQSDPAXFR-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CC(=O)NNC(=O)/C(C#N)=C\c1cnn(C)c1	1587581708	JDMGIACCHYQSAV-OQFOIZHKSA-N	233.231	-0.506	50	10	BBGE	
Cc1nn(CC(=O)NN=c2cc[nH]cc2)c(=O)o1	1611414234	DYCVNJFRYXUTKB-UHFFFAOYSA-N	249.230	-0.895	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)N(C)C	1625912218	KKIKJNUYDRYMCI-SECBINFHSA-N	215.253	-0.384	50	10	BBGE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1879957608	FMCBBUPEYRLKJR-LURJTMIESA-N	233.268	-0.484	50	10	BBGE	
O[C@H]1CN(CCBr)CC[C@H]1O	1880342112	VYPLOFNMRHJBEU-RQJHMYQMSA-N	224.098	-0.191	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)C1(C)C	1885615398	AKGDVDYJBIQTBF-LYFYHCNISA-N	221.684	-0.044	50	10	BBGE	
CC[C@@H](C#N)C(=O)NN(C)S(C)(=O)=O	1888570949	AKXAPXDQDOOMME-LURJTMIESA-N	219.266	-0.541	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@H]1Cl)[C@H]1CCNC1	1893118550	ITPINUJRTQBCNS-BIIVOSGPSA-N	238.740	-0.105	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@@H]2C[C@H]21	1893497044	AWSVUJPAAFAGOZ-LJSRPMLZSA-N	214.652	-0.119	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@@H](C)[C@H](C)C(=O)NN	1907703215	BDYFXRGNTNYBRK-AATLWQCWSA-N	245.323	-0.654	50	10	BBGE	
Cc1nn(CC=CCl)c(C)c1B(O)O	1911730957	DLTXHUVTWVEVKD-UHFFFAOYSA-N	214.461	-0.068	50	10	BBGE	
CS(C)(=O)=NCc1cnc(C(=O)NN)s1	1913513358	VAXYAUYISAZUQY-UHFFFAOYSA-N	248.333	-0.026	50	10	BBGE	
NNC(=O)CCCN1CC2(CCOC2)C1	1915583051	MQJQTQYBWAHWIK-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CCN(Cc1ccccc1B(O)O)C1COC1	1915670560	AVVOWNCVCYTZMU-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
COC[C@@H](CCl)NS(=O)(=O)C1COC1	1923185372	RECVUGDPFKNBPK-ZCFIWIBFSA-N	243.712	-0.442	50	10	BBGE	
CC(C)[C@H](SCCNCCN)C(=O)NN	1923484476	VAKVBHSUNZIBGS-QMMMGPOBSA-N	234.369	-0.718	50	10	BBGE	
CC1(C)CCCN1CCOCC(=O)NN	1928178279	DUMRGPISYVFQEC-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CCl)CN1CCOC[C@@H]1[C@@H](O)CO	1928574114	RXTCNVTXUJTBLB-BBBLOLIVSA-N	237.727	-0.085	50	10	BBGE	
CCON(C(C)C)[C@H](COC)C(=O)NN	1928664132	ZTIAVXNBEAQTPS-MRVPVSSYSA-N	219.285	-0.347	50	10	BBGE	
CC1(C)CN(CC(F)(F)C(=O)NN)CCO1	1935944291	KZKLXHHDOXAXIQ-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)COCCSc1ncccc1N	1936528437	ZXMQKIJMMTVWKL-UHFFFAOYSA-N	242.304	-0.238	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1CCOCC(=O)NN	1936532167	VSAZIFQRFLOSFN-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CCOC1(C)CN(CC2(C(=O)NN)CC2)C1	1938246245	GDNDSGUEZGXCBN-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@H]2[C@H]1C(=O)O	1939891058	QDBOXDVWTAXFSY-RNJXMRFFSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)C[C@@H](C)C(=O)NN	1940292035	ROXYOMHASFORBK-UTLUCORTSA-N	245.323	-0.652	50	10	BBGE	
CC1(C)CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1=O	1941085159	BYZKXCOUEJGNEM-RNFRBKRXSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCCO1	1941348794	KVFZBQYADMDXSO-BDAKNGLRSA-N	241.291	-0.464	50	10	BBGE	
CCN(C)[C@@H]1CCN(CCOCC(=O)NN)C1	1948373598	ILKWZKMUZPCGRI-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
NNC(=O)C1(COC[C@H]2COCCCO2)CC1	1948417607	PFFVMZJVHDOPFC-SECBINFHSA-N	244.291	-0.421	50	10	BBGE	
C#C[C@@]1(O)CCN(C[C@@H](O)CCl)C1	1954824278	WAVQVCLHVSIBSR-DTWKUNHWSA-N	203.669	-0.344	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CO[C@H]2COC[C@@H]12	1955216422	ZVAQHNMPTCKQQX-XVMARJQXSA-N	241.696	-0.484	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2COCC[C@@H]21	1961288669	MLOOSEWDFLZQBL-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCO[C@H]2C1	1961587304	WNSXMOWQWBRQQF-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H]1C[C@@H](OCC2(C(=O)NN)CC2)CO1	1961627624	CCAVINIFAFHIQS-HTQZYQBOSA-N	214.265	-0.050	50	10	BBGE	
CN(C)NC(=O)c1cccn2cnnc12	1974518890	FFMUQHWCEISSBV-UHFFFAOYSA-N	205.221	-0.064	50	10	BBGE	
NNC(=O)CCCCN1CC([C@H](F)CO)C1	1979542536	HSMAMSYLYDIDLD-SECBINFHSA-N	233.287	-0.591	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	1980225644	ACQSLBGKLAYCBA-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
CCN(C)C1CN(CC(C)(C)C(=O)NN)C1	1980602278	XHJINTQSQZAUAC-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@](=O)C(C)(C)C1	1980949460	IMZIIYHZWKFOKY-BCTVWOGZSA-N	247.364	-0.402	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@@]2(O)C1	1980982203	NFHUYEGQWZLDLI-PKIKSRDPSA-N	225.292	-0.931	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CCO[C@H]2C1	1981243058	RIPMHRWPLLRPMA-RQJHMYQMSA-N	235.234	-0.668	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H](CF)C1	1981250672	XIWWHCMLMWMKDU-IWSPIJDZSA-N	231.271	-0.717	50	10	BBGE	
CSC1CN(c2nc(C)ccc2B(O)O)C1	1981446509	AFDLDJRPNGGXIC-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21)C(=O)NN	1982000514	RTZOJWIBKNRXGD-OKNNCHMLSA-N	223.276	-0.521	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC[C@]1(C)CO	1982383565	UAWDWGIXSWRVQF-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
O=C(CN1CCNCC1=O)NC1CC(Cl)C1	1983209907	SOULWGVAKPLRHS-UHFFFAOYSA-N	245.710	-0.696	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@@H]1C[C@@H]1Cl	1991440051	WXLZRYJPMPCSSK-GUBZILKMSA-N	245.754	-0.024	50	10	BBGE	
O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@H]1C[C@@H]1Cl	1991676575	BDDNXARRAWDHNZ-QFNGTQGLSA-N	247.678	-0.044	50	10	BBGE	
CN(CCN1CCNCC1)C(=O)[C@H]1C[C@@H]1Cl	1991681331	ZOELPQZUZHAQMP-UWVGGRQHSA-N	245.754	-0.023	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1991716441	JSMRZVUZADUWPZ-QPBMGCEESA-N	245.662	-0.474	50	10	BBGE	
Cc1nc(C)c(C(=O)NCC#CB(O)O)s1	1992145988	PHKHEXNEQNFNDL-UHFFFAOYSA-N	238.077	-0.495	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)C1COCCOC1	1994116798	VLIAIYTWFLDRFM-RKDXNWHRSA-N	249.694	-0.228	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCCOCC2)c1	1995179879	KNCCEZOGRSXEHU-SECBINFHSA-N	224.069	-0.620	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)n1	2000413487	ZDPGCABGFJQKSK-WHUPJOBBSA-N	242.034	-0.146	50	10	BBGE	
CC(C)N1CCN([C@H](C)CC(=O)NN)CC1=O	2004023218	HKDKKJYHZKDDJA-SECBINFHSA-N	242.323	-0.693	50	10	BBGE	
CC[C@]1(F)CCN(c2ncncc2B(O)O)C1	2004919761	COWSTFGZHXBGNO-JTQLQIEISA-N	239.059	-0.515	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2C2CC2)c1B(O)O	2004972587	HVKOPLPZZXZMQL-VIFPVBQESA-N	233.080	-0.546	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]2CF)c1B(O)O	2004974841	PXOFJYILPMMFTC-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C(=O)O	2007196972	IAQUKCLPLKKFKI-POYBYMJQSA-N	243.263	-0.909	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)cn1	2011371849	FENHDKQISPIIDD-GMSGAONNSA-N	236.275	-0.750	50	10	BBGE	
C[C@H](CN1CCC[C@H]2[C@H]1CCN2C)C(=O)NN	2012128915	ZUQMELHRRLVBDB-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC12CCC2	2019211813	QUEXOCCIBQZXDS-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@H]4C[C@H]43)(C1)C2	2023853246	KNKIRLYMSMTAFV-QCMRWSPLSA-N	237.303	-0.380	50	10	BBGE	
CC1(CCC(=O)Nc2ncc(B(O)O)cn2)CC1	2040763545	RAOHUMOQTWHLTN-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
C[C@H]1CN(C)CCN(c2ccc(B(O)O)cn2)C1	2052466997	MCDWRENRUNOYJF-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
CN1CC[C@@H](CN(C)c2ccncc2B(O)O)C1	2052499678	XDHYDAIHEGXFDH-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)c1ncccc1B(O)O	2054287727	QJLFRAZBHDSURO-ILWJIGKKSA-N	248.091	-0.910	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(-n2ccnc2)cc1	2055386494	KJVZKKCWNLQZQN-UHFFFAOYSA-N	245.242	-0.199	50	10	BBGE	
C[C@@H](Cn1cnc2c(B(O)O)ncnc21)C1CC1	2055737613	JYPGLGIEJRUHCH-ZETCQYMHSA-N	246.079	-0.448	50	10	BBGE	
CC1(C(=O)NCCc2ccccc2B(O)O)CC1	2067540336	NOGWJYWUAOAHOO-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3COCC[C@H]32)n1	2073043208	MNMJWUMPCAXXCU-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccccc1B(O)O	2079010321	OREZAIIWKXORKD-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
NCC1(Oc2ccc(B(O)O)cn2)CCC1	2212606484	VAAWPMJWZTXLGW-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
C#CC[C@@H](C)Nc1nccc(B(O)O)c1F	2212606529	VMEOQWUZOQSOME-SSDOTTSWSA-N	222.028	-0.276	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC(C)(C)CO	2215776411	MPSJJCAWBSTMMU-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
CN(C[C@H](O)C1CC1)C[C@@H]1CC[C@H]1C(=O)NN	2215776522	NIUWVFXNECPYLK-AXFHLTTASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2COC[C@H]2C1	2215776678	OJOKQVGJRVXACI-CHWFTXMASA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC2(COC2)C1	2215777860	VPLCOWNSNRHNSF-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
Cc1cnc(O[C@@H]2CC[C@H]2CN)cc1B(O)O	2217182839	HHFPGLHGOOIANB-WCBMZHEXSA-N	236.080	-0.814	50	10	BBGE	
Cc1cnc(O[C@@H](C)C(C)(C)N)cc1B(O)O	2217184829	WYCOETBYSLIHDM-QMMMGPOBSA-N	238.096	-0.426	50	10	BBGE	
N[C@H](COc1ncccc1B(O)O)C(F)(F)F	2217192771	JJPISDBHPZUTJN-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
OB(O)c1ccc(=NCC2CC3(CC3)C2)[nH]c1	2217197849	RWKORDVXYJHLLY-UHFFFAOYSA-N	232.092	-0.215	50	10	BBGE	
CCCCN(CCO)c1ncccc1B(O)O	2217200909	BNTDLQUSYMYYHD-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
OCC[C@H](Nc1cc(B(O)O)ccn1)C1CC1	2217205422	YSUPNYDDRZPWOA-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)c1cc(B(O)O)ccn1	2223625149	CSFNMGDULFOHPL-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1Nc1cc(B(O)O)ccn1	2223626607	IMVQSGQKZBSMLQ-ZYHUDNBSSA-N	249.123	-0.440	50	10	BBGE	
CN(C)C[C@H]1CCCN1c1cc(B(O)O)ccn1	2223636468	JZSBGWPVUGPYLB-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
COC[C@H]1C=CCN1c1cc(B(O)O)c(C)cn1	2223641873	WZYPHGDACHCVCM-SNVBAGLBSA-N	248.091	-0.539	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(c2ncccc2B(O)O)C1	2223668219	XPSBAUWPMZGUBY-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NC1CC2(CCOC2)C1	2223674101	NOUZFZYRKNMRRJ-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
CONC(=O)c1cc(B(O)O)c(C)s1	2241480657	MUKFUGLLALNFST-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CCC2)OCCO1	2241481525	SYUXVMBRSOMKRR-UHFFFAOYSA-N	243.068	-0.737	50	10	BBGE	
COC[C@H](SCC1COC1)C(=O)NN	2241888536	JXTKRKGEZRCNKR-ZETCQYMHSA-N	220.294	-0.629	50	10	BBGE	
CC(C)C1(O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243382735	RDUCXQKEMCWWSR-JGVFFNPUSA-N	227.069	-0.921	50	10	BBGE	
O=C(NCCOC(F)F)[C@H]1C[C@H](B(O)O)C1	2243392244	SINYWMUCMMHNLW-IZLXSQMJSA-N	237.011	-0.405	50	10	BBGE	
CC(C)NCCNC(=O)C1(B(O)O)CCC1	2243397800	JJZHJTJPORSWOH-UHFFFAOYSA-N	228.101	-0.502	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@H](C)C1	2243401243	OJULXPCXVVSJSC-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)s1	2243407503	UCPZBASWIDQCOS-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
C=C(CS(=O)(=O)NOC1CCCC1)B(O)O	2243411916	CIHGZDXRUCWUIY-UHFFFAOYSA-N	249.097	-0.652	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243419600	CBNOMBUQDOPHEH-XSPKLOCKSA-N	227.069	-0.779	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1O[C@H]2C=C[C@H]1CC2	2243420153	NJTRPHRIQRSLRB-JBDRJPRFSA-N	223.037	-0.290	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc(F)n1	2243674311	HRTQXYYGSKPCRL-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
NNC(=O)CN1CCC(CO)(C(F)F)CC1	2245366353	BUECLDRGBRBTNW-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@@H](C)OC)n1	2247233290	NUVXKJATJDOTIT-SSDOTTSWSA-N	241.052	-0.816	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1CCCC1	2247733703	OZPVYCGARBAJCM-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CCC1	2247734982	XEBUMOGXSZQNFI-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCCC1(F)F	2247747414	NCWZPEJYMSCWJG-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
CCN(CC)CCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247800767	SOAPIAQIZKWXHM-ZJUUUORDSA-N	242.128	-0.303	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)O1	2247809421	ZGHXEGALQPPYDR-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CC1(CO)CC(NC(=O)C2(B(O)O)CCC2)C1	2247853586	OLQAZWLOPMDOQC-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CCC2)C[C@H]1N	2247854202	YQDVIYBUGXLQCB-SFYZADRCSA-N	240.112	-0.375	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C1CCNCC1	2247872412	RKEQFKLESBJNKS-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@H]1COCCC1(F)F)C1(B(O)O)CC1	2247874269	PJCIPYUTRDLGIK-LURJTMIESA-N	249.022	-0.466	50	10	BBGE	
Cc1nc([C@@H](C)NC(=O)C2(B(O)O)CC2)n[nH]1	2247875076	SLTDZRONBQBUEH-RXMQYKEDSA-N	238.056	-0.703	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247887189	LFTOANNCHKNZBN-HEIBUPTGSA-N	245.034	-0.181	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)[C@H](F)C(=O)O	2248579136	UPOBSKACCJMCSR-RITPCOANSA-N	247.031	-0.832	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H](C)C(=O)O	2248589969	XFTIOHXHZLHUMA-NYOFMCRDSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCCN1	2249943835	KBSBWYJEQVAYEZ-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
C=CCC(=O)NCc1ccc(B(O)O)c(C)c1	2251312115	BGYPOWRNWLKRIN-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
Cc1cc(C(=O)Nc2ncco2)oc1B(O)O	2252747202	UMABMQOCIWXCQS-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
Nc1ncccc1NC(=O)c1ccoc1B(O)O	2255466718	CRENYZQBYIRAGW-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255520363	JTWCRBTWRDLFPB-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255521149	SMQCVWCJOCXGPB-JTQLQIEISA-N	248.091	-0.320	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]2CC[C@H]21	2255669849	STTGEQQBWUAACQ-DTWKUNHWSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC=CCC1	2255710238	HYRHESWTSJGBDR-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C#CC#CCNC(=O)c1ccc(C)cc1B(O)O	2255735431	UAFNXEDFNADRFG-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
O=C(NC1CC(n2cccn2)C1)[C@@H]1C[C@@H]1B(O)O	2255768547	IEEVWEXXRFUGMO-BMNUFHGDSA-N	249.079	-0.434	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1cocc1B(O)O	2258127838	LTIQZUPATINWAK-QMMMGPOBSA-N	249.075	-0.169	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368498	IIEHLAFLLZVLIL-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CCOCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369178	LVMMLVPGMXAOBN-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2298370644	FQZFMUQQSJHSQF-ZXEGLVKPSA-N	235.092	-0.038	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300371583	NHKOXMPWOVYUJL-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
C=CC1(O)CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300400926	XGXDCRZEDRUJFB-NXEZZACHSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H](COCCN1CCOC[C@@H]1C)C(=O)NN	2301603843	XMBNRRXZCKBETM-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
OC[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303834643	JJLHIMZUZPBKME-IMTBSYHQSA-N	240.043	-0.917	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC[C@@]2(C)C[C@@H]12	2310551767	BYIFODVTUINHKC-PEXQALLHSA-N	247.107	-0.219	50	10	BBGE	
CCc1ccn(-c2ccc(B(O)O)cc2C#N)n1	2317127462	RRLWFFNJQHIJGA-UHFFFAOYSA-N	241.059	-0.014	50	10	BBGE	
C[C@H](CCl)C(=O)NCCS(N)(=O)=O	54712697	GFKQYVPTWVMMCT-RXMQYKEDSA-N	228.701	-0.734	50	10	BBGE	
NNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCO2)C1	66055517	ZEUWVSVVLFHIQY-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)[C@H]1CCCN(C(=O)c2cccnc2)C1	66151795	CPSQJOXYYUPJJA-JTQLQIEISA-N	248.286	-0.076	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](C)C1	82466154	TUWNCGXKNWLAAB-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CCN(CCO)Cc1occc1C(=O)NN	82468820	JCBWZTRBGBRNHR-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
C[C@H](CN1CCC(N)CC1)C(=O)NN	82470855	YFDRESQNPLXSDG-SSDOTTSWSA-N	200.286	-0.965	50	10	BBGE	
O=S(=O)(NCCCl)c1c[nH]cn1	83210538	HPAHJNJRZXEAQI-UHFFFAOYSA-N	209.658	-0.073	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@H](C#N)C1	86656757	WSTUENXWZYMOQR-BDAKNGLRSA-N	226.280	-0.775	50	10	BBGE	
CCN(CCOC)Cc1cc(C(=O)NN)no1	110591808	ANTDCAIFSCKNHT-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[C@@H]1O	127606892	WWKTVMLCCKHIRK-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COCCOCCCCN1CC(=O)OC(=O)C1	160159625	RNUALFQSMCQOOH-UHFFFAOYSA-N	245.275	-0.185	50	10	BBGE	
COC[C@@H](O)CNC(=O)CCBr	168465481	POWLBDAFNGVELY-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)CO)CC1(Cl)Cl	180944180	DGNARGYQFMXUPJ-ZCFIWIBFSA-N	241.074	-0.290	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@H]1CCOC1	203991384	XDHMYNNXQZIYHO-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@@H](C(=O)O)[C@H]2O1	209173038	GQOKHYKFPZJCCC-DGPNFKTASA-N	212.157	-0.826	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CN)C1	216473779	VXFKEJIKMYSOBO-YUMQZZPRSA-N	200.286	-0.965	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H]1CCCN1	233464505	XGKKOVRANFCIJN-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
CC[C@@H](C)NNC(=O)CCCNC(N)=O	238295277	PYPJSUZBJOEMSH-SSDOTTSWSA-N	216.285	-0.146	50	10	BBGE	
CCOc1ccc([B-](O)(O)O)nc1Cl	238852840	HIEHDBLCQISOGL-UHFFFAOYSA-N	218.425	-0.744	50	10	BBGE	
C[C@H]1CN2CCC[C@@H]2CN1[C@H](C)CC(=O)NN	251705424	JCIBDPHAGRJVOY-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2c(c1)CCO2	259023860	QFGWNPGWHXWCTK-VIFPVBQESA-N	207.233	-0.389	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(N)=S	307008511	GXLDONRPXYWQOG-BYPYZUCNSA-N	201.255	-0.807	50	10	BBGE	
CN(CC(=O)NC(=O)CCl)C(=O)CCl	308297760	XNHWTGBAUGLVEP-UHFFFAOYSA-N	241.074	-0.435	50	10	BBGE	
NC[C@H](CC(N)=O)N1CCSSCC1	308680343	XJKWCGWIUYMQKI-ZETCQYMHSA-N	235.378	-0.114	50	10	BBGE	
CNCC(=O)NNC(=O)c1cc(Cl)c[nH]1	309651445	TUYKLMJAOMGGGB-UHFFFAOYSA-N	230.655	-0.352	50	10	BBGE	
COC(=O)C(=O)NN=C1CC(C(=O)O)C1	378724370	HXDOPHGJVOWWOF-UHFFFAOYSA-N	214.177	-0.874	50	10	BBGE	
COC(=O)C(=O)N[C@@H](C)C(=O)CCl	379348080	JEVAARNYQBBJHX-BYPYZUCNSA-N	207.613	-0.528	50	10	BBGE	
O=C1CCC(=O)N1c1cccc(B(O)O)c1	380656563	TXJHAFYMOYIDTL-UHFFFAOYSA-N	219.005	-0.980	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](SC)C1	394742712	NUCBKHCHLVLOLY-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H]1COCCN([C@@H](C)[C@H](C)C(=O)NN)C1	399638670	GDCOTFJGGHTFBH-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
Cn1cc(C(=O)Nc2ccccc2B(O)O)cn1	405047174	FHNAQCJBCBFVQT-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
COC(=O)NCc1cc(B(O)O)ccc1F	405186980	PCQFYUIRWFDMBH-UHFFFAOYSA-N	227.000	-0.639	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1C[C@@H](C)C(=O)NN	688754642	KRKLBHMWIFKVFD-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CNC[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692124649	NNCINBDFKIMGIJ-ZJUUUORDSA-N	237.303	-0.281	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CC#N)CC#N	695075300	CATQXBJVRXZOTR-VIFPVBQESA-N	223.280	-0.260	50	10	BBGE	
COC[C@@H](COCCCCC(=O)NN)OC	695708992	JGBMGDSLHHBPDU-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1ccc(B(O)O)cc1	703517487	MPXPVTIXMRDMOA-BXKDBHETSA-N	236.076	-0.082	50	10	BBGE	
CNNC(=O)c1sccc1-n1cnnn1	704640899	UJNRYWKFJRJVKU-UHFFFAOYSA-N	224.249	-0.412	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1C1CC1	706684299	WZAGVJYTPDYGCJ-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](C)c1cnn(C)c1	710155914	IFJDLHCWKSNZDH-YUMQZZPRSA-N	225.296	-0.209	50	10	BBGE	
C#CCCS(=O)(=O)N1CCC(O)(C#N)CC1	711118155	ISAPSUCNGBYUQH-UHFFFAOYSA-N	242.300	-0.310	50	10	BBGE	
OB(O)c1ccccc1OCC12CC(CO1)C2	716095127	ZJAAXNFBFXBHKI-UHFFFAOYSA-N	234.060	-0.076	50	10	BBGE	
C[n+]1[nH]ccc1CN[S@@+]([O])(=O)CCl	725595187	MYBAZJRBZLHSMZ-CYBMUJFWSA-O	224.693	-0.115	50	10	BBGE	
C[C@@H]1C=NC(CNS(=O)(=O)CCl)=N1	725597531	DLSRLRAWVOUFCQ-RXMQYKEDSA-N	223.685	-0.027	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)CC1CC1	908447876	IZNOHGJDUGGXGX-YAJNLLPGSA-N	212.249	-0.129	50	10	BBGE	
CCCNC(=O)NNC(=O)C=NOC	1136443064	OMLXFFVGYCTBEU-UHFFFAOYSA-N	202.214	-0.641	50	10	BBGE	
CC(C)(C(=O)NNc1nc[nH]n1)c1cnc[nH]1	1328569712	DXKQQTKAGWOWMF-UHFFFAOYSA-N	235.251	-0.051	50	10	BBGE	
CN(C)C(=O)NNC(=O)CC1COC1	1442479604	YKPKWGDAISNGGT-UHFFFAOYSA-N	201.226	-0.675	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)N(C)C	1597966420	PYTIEPSLLPAJOP-UHFFFAOYSA-N	225.252	-0.506	50	10	BBGE	
COC[C@@H](CN)[C@H](N)CBr	1880017774	IUWWVZXCSYSYLC-PHDIDXHHSA-N	211.103	-0.070	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H](CO)[C@@H](C)O	1881836807	DVNAFQVFNFMAHA-XVMARJQXSA-N	209.673	-0.281	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)C1COC1	1881942949	UQRHJYBIBOYKBH-ZCFIWIBFSA-N	223.681	-0.455	50	10	BBGE	
C#CCNC(=O)CNC[C@H]1C[C@H]1Cl	1883552131	LQDAPRPBCORADR-HTQZYQBOSA-N	200.669	-0.047	50	10	BBGE	
C[C@@H](CCCl)C(=O)N[C@@H]1CONC1=O	1885940003	ZEIKWFKYMVFOGK-NTSWFWBYSA-N	220.656	-0.202	50	10	BBGE	
CN1C[C@H](N(C)S(=O)(=O)CCl)CC1=O	1887641026	DANSMXAIPPAEHH-ZCFIWIBFSA-N	240.712	-0.325	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H](C)N	1888561546	FKFUPSHPLWLFSQ-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)CCC(=O)NN	1893991693	WWMGAWQYCACRRR-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)n1	1895128611	VIFACUJBBJYLPS-XUTVFYLZSA-N	236.105	-0.333	50	10	BBGE	
CO[C@@H](C)[C@H](NC(=O)C(=O)NN)C(F)(F)F	1900078334	MUTQHBFDNGDKOA-IMJSIDKUSA-N	243.185	-0.942	50	10	BBGE	
CC(C)=CCOc1ncnc(C)c1B(O)O	1900851060	JLGZIKKLEPUNOW-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
CCCN(CCC)NC(=O)C[C@@H](N)C(=O)O	1902047475	GXTGRWJMBGHTQS-MRVPVSSYSA-N	231.296	-0.058	50	10	BBGE	
CC[C@@](C)(CN1CC([N+](=O)[O-])C1)C(=O)NN	1902720629	ROTVFPXBQQIERR-VIFPVBQESA-N	230.268	-0.647	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)CCOCC(=O)NN	1907736397	FBICQQKZXXUSPU-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
O=C(C[C@]1(O)CCNC1)NC1CC(Cl)C1	1909294954	DTLXHFLHZZUGRH-SFVIPPHHSA-N	232.711	-0.013	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@@H](C)C(=O)NN	1912261163	CVHZBRQCJJKSOO-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
N#CC1=CCN(CC[C@H](N)C(=O)O)CC1	1921712703	QWWLSPMVWNFRHL-VIFPVBQESA-N	209.249	-0.056	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@@]2(CO)C1	1928556104	CXFUOGJDFODHFP-WPRPVWTQSA-N	213.281	-0.929	50	10	BBGE	
CC[C@H](O[C@@H]1CCCOC1)C(=O)NN	1932290269	KTQWGSYXDCLXKE-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CO[C@@H]1CCCN(CCC(=O)NN)[C@@H]1C	1934291750	NXBATFSXZLBFKR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC(=O)c1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c1	1936081958	BHWIKSZKCPUHEH-CBAPKCEASA-N	222.248	-0.288	50	10	BBGE	
CCON(C)Cc1cc(F)cc(B(O)O)c1	1937134447	BFBTVPFCOAYIEJ-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CC[C@@]1(C)CC[C@H](CNC(=O)C(=O)NN)O1	1939085878	SSNJHUOUPJJCDY-XCBNKYQSSA-N	229.280	-0.560	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](N1CC(=O)OC(=O)C1)C2	1939197658	MNFCLIFIFDJAQU-AVPPRXQKSA-N	225.244	-0.061	50	10	BBGE	
COCCOCCCOC[C@@H]1C[C@@H]1C(=O)NN	1941086058	PTOODJHIVOWGEB-UWVGGRQHSA-N	246.307	-0.318	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)[C@H]1C(N)=O	1942616099	NIPSVKDJQUENFL-WCBMZHEXSA-N	242.323	-0.658	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1943089259	KSRCHVGSHKCUKF-GMTAPVOTSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1945892974	OIXSBAPVKYRUDU-LBPRGKRZSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1cncc(B(O)O)c1	1947086127	NMTRNMZFOUJOCT-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
O=C1CN(C(=O)CCl)[C@H]2CC[C@@H]2N1	1953945117	AMLSYMSLHDFCHY-WDSKDSINSA-N	202.641	-0.285	50	10	BBGE	
Cn1nnc2c1CCN(C[C@H](O)CCl)C2	1961288266	GUBDSFUDGJIVHI-SSDOTTSWSA-N	230.699	-0.227	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1976762015	WOMKMHDAFSQQHV-RNFRBKRXSA-N	225.252	-0.415	50	10	BBGE	
CN(CCC(=O)NN)Cc1ncc(Cl)n1C	1979278899	NWJJFMIFTGDYEF-UHFFFAOYSA-N	245.714	-0.115	50	10	BBGE	
NNC(=O)CN1Cc2ccc(CO)cc2C1	1979820338	DJFRFLQTKUUUSP-UHFFFAOYSA-N	221.260	-0.516	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)CC12CCC2	1980722663	LPOPRPXQXORZKN-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
Cn1ccnc1[C@H]1CCN(CC(=O)NN)C1	1981090997	JSTPEDFHQTVWSB-QMMMGPOBSA-N	223.280	-0.801	50	10	BBGE	
CN(CC(C)(F)F)c1ncc(B(O)O)cn1	1981413206	CQPUPZULOCNLFZ-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
CN(CC(C)(C)F)c1ncc(B(O)O)cn1	1981417118	XFMBWIGJIATGML-UHFFFAOYSA-N	227.048	-0.659	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ncc(B(O)O)cc1F	1981472678	SPIOUXLGDZAVSN-RQJHMYQMSA-N	224.044	-0.255	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1nc(=O)o[nH]1	1981482649	MMZWQJQPTJIZAB-GSVOUGTGSA-N	248.626	-0.684	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)F	1985221103	OTLINSAUZSOIMZ-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC[C@@H]2C[C@@H]12	1985698271	AYXHNVSRJHHRAY-YIZRAAEISA-N	225.292	-0.081	50	10	BBGE	
OB(O)c1ccn(CCOCCC2CC2)n1	1986376437	NSLKYBKTPOLLCR-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)nn1C	1991330439	LZSIJGDZACUVJK-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NCC#CB(O)O)O1	1992134178	JIVWRPPDBGEJMD-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
C=C(CO[C@H]1C[C@@H](n2cncn2)C1)B(O)O	1992152390	DVBNJVRKHMCNAY-DTORHVGOSA-N	223.041	-0.434	50	10	BBGE	
C=C(CN1C[C@@]2(C)C[C@]2(COC)C1)B(O)O	1992167154	FLPQAGNKDQCHHJ-GHMZBOCLSA-N	225.097	-0.087	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C12CCC2	1993528943	PGCWQEQCXJMAKD-RKDXNWHRSA-N	227.308	-0.400	50	10	BBGE	
C[C@]1(O)CN(C(=O)/C=C/C(=O)Cl)CC[C@@H]1O	1993583109	OMDZQHYAUAWQRH-BDRIAGRASA-N	247.678	-0.348	50	10	BBGE	
NNC(=O)C1(CN2CCC(F)(CO)CC2)CC1	1995938030	RFIVSFZLPOZCLX-UHFFFAOYSA-N	245.298	-0.447	50	10	BBGE	
C[C@H](CN1C[C@H]2CCC[C@@]2(CO)C1)C(=O)NN	1997171052	REMGJVSTSAFECH-FOGDFJRCSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](C1CCC1)N(C)c1ncc(B(O)O)cn1	2004914769	RVCLFFPSHOKEJT-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2C=C[C@H]1C2	2004934330	DYIGGPVZYHYZKZ-OYNCUSHFSA-N	232.048	-0.500	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CO[C@H](C)C1	2004935555	OSKPQMFOFJEWQO-SCZZXKLOSA-N	237.064	-0.374	50	10	BBGE	
CC(C)(C)OCCOc1ccncc1B(O)O	2004950696	IQTOBAZXDDKYAB-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(N2CC(C(C)C)C2)ncc1B(O)O	2004971287	PERXQTXSBMAIHD-UHFFFAOYSA-N	235.096	-0.443	50	10	BBGE	
CCCc1cnn(-c2ncncc2B(O)O)c1	2004990402	GVZOMZCKRNPACU-UHFFFAOYSA-N	232.052	-0.705	50	10	BBGE	
O=C(CCOC1CC1)N[C@H]1CCC=C1B(O)O	2020060099	TWMLNBUIPSQAMM-JTQLQIEISA-N	239.080	-0.228	50	10	BBGE	
C[C@@]1(C(=O)N[C@H]2CCC=C2B(O)O)CCCO1	2020060408	BDJJAOWYDPKIKY-ONGXEEELSA-N	239.080	-0.228	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)C1(C)CC1	2022196821	SEYJLBFCINNKCU-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]1C1CCOCC1	2022474588	LWHMYNFWWKYVOS-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)CC1(F)CC1	2025748135	ACNDEWFFMNKFKP-BDAKNGLRSA-N	245.298	-0.042	50	10	BBGE	
CCc1cc(C=O)c(C#N)cc1B(O)O	2060239758	CMYNVNCTYGMRED-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccccc1B(O)O	2079008907	COOBBRBTUDNSGN-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
CN1CCC[C@H]1COCc1ccc(B(O)O)cc1	2080332088	JBRJVPWTLNESCH-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
NCCSSCCNC(=O)C1(O)CC1	2208608663	KFUHLIIGDBZJPJ-UHFFFAOYSA-N	236.362	-0.032	50	10	BBGE	
Cc1cnc(SCCN(C)C)cc1B(O)O	2212600021	RDBDFZAZEUYHKG-UHFFFAOYSA-N	240.137	-0.276	50	10	BBGE	
C[C@@H](N)CCCNc1ncccc1B(O)O	2212602848	KOTKWSJYTWFJOG-MRVPVSSYSA-N	223.085	-0.699	50	10	BBGE	
C#CCCN(CC)c1ncc(B(O)O)cn1	2212603705	QHNHCTGOTRACIQ-UHFFFAOYSA-N	219.053	-0.994	50	10	BBGE	
CC1(C)CCN1c1nccc(B(O)O)c1F	2212603808	IZDQXPSHZWEHCQ-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
Cc1cnc(NC(C)(C)CO)cc1B(O)O	2212604864	SVQAXLQRVPKWIA-UHFFFAOYSA-N	224.069	-0.747	50	10	BBGE	
CCOC[C@@H](C)Nc1cc(B(O)O)ccn1	2212610370	HUNLGIKXSZOJEZ-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)ccn1)C(C)C	2212610935	RLLDVZDLZSVKLV-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
OB(O)c1ccnc(N2CC=CCCC2)c1	2212615477	PQUNUKGJTSALGQ-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC[C@H]3C2)c1	2212615611	RMHNLSDDZXQNOD-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN(C[C@@H](C)C(=O)NN)C1	2216292169	SGWMFGODYKQAPP-UTLUCORTSA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1ccnc(Sc2nccc(O)n2)c1	2217167140	QYUFSQNOUTVMEL-UHFFFAOYSA-N	249.060	-0.592	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23COC[C@H]2C3)c1	2217173958	VOBIDBCRCUBBQH-KCJUWKMLSA-N	234.064	-0.790	50	10	BBGE	
OB(O)c1cccnc1NCCc1cc[nH]n1	2217176071	QZKIZZQQQGFEBL-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
NC[C@H]1CC[C@H]1Oc1nccc(B(O)O)c1F	2217189703	IBWCCDWEPYJEIO-HTRCEHHLSA-N	240.043	-0.983	50	10	BBGE	
C[C@@H]1C[C@H](CNc2ncccc2B(O)O)CO1	2217199772	OXNIULDSDNPQJP-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
CC(C)(C)N(CCO)c1ccc(B(O)O)cn1	2217201942	GQANSJBFDFBGMO-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)CCO1	2217202712	ZCRIGGRRDCFJHW-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
OCC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220063673	MRCWZWRJWBPKFU-LLVKDONJSA-N	249.119	-0.429	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]1c1ncon1	2223639557	RVJUAXNPLXFQIR-MRVPVSSYSA-N	246.035	-0.904	50	10	BBGE	
Cc1cnc(N[C@H]2CCCN(C)C2)cc1B(O)O	2223642288	ZRTVRYKNCFNQKD-JTQLQIEISA-N	249.123	-0.424	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1cc(B(O)O)ccn1	2223663844	ZSWVGJWOLRKQTC-OEIWMXHLSA-N	248.091	-0.734	50	10	BBGE	
CC(CO)(CO)C(=O)NC[C@@H]1C[C@@H]1Cl	2241247918	XCIMGIPSBMREPN-BQBZGAKWSA-N	221.684	-0.279	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)[C@H]1C)C(=O)NN	2242160357	LPLCSRWGJQAZLL-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](Cc1cccs1)NC(=O)C#CB(O)O	2243361620	DPPXILZSKKQZRI-QMMMGPOBSA-N	237.089	-0.189	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(F)(F)C1	2243364772	BYONSFPRHURBLE-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243390810	BMZBOZFYLPOAKE-YUMQZZPRSA-N	228.101	-0.694	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)ccc1N	2243399652	OLGBRTBIWOCNQR-UHFFFAOYSA-N	218.021	-0.469	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@H]2C[C@@H]21	2243406886	HFPLMXNVJKCTKN-XPUUQOCRSA-N	237.089	-0.338	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1ccsc1B(O)O	2243408727	UBPQLAJCNPLDNU-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
O=C(NCC1(O)CCC1)C1(B(O)O)CCC1	2243411109	OBLLCHMRXXHVGX-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
C=C1CCN(S(=O)(=O)CC(=C)B(O)O)CC1	2243420479	UBGHNELYNHMNNP-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)CC=CCC1	2243686315	KOZASDRVOJAMPW-LLVKDONJSA-N	221.065	-0.136	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)co1	2244218978	CZUGQBQDHHHBNU-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1[C@@H](C)[C@H]1C	2247732239	DMSWFXFHJOMBJQ-KJXVDCTPSA-N	237.064	-0.348	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ccc(B(O)O)o1	2247737876	LHGFXWXTFIIYEQ-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1ccoc1B(O)O	2247744292	QRKUTBJJMTYUNM-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
CC[C@H](C)NC(=O)c1cn(CC)c(B(O)O)n1	2247745570	LDWCVRZQPNPMAD-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
O=C(Nc1cnsc1)c1cncc(B(O)O)c1	2247772145	QPZKJXXJZUEIKL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1ncncc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788076	YZMQTAIBNCJYCP-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2247789770	BEBAIHSJKPTKRW-SGIHWFKDSA-N	239.080	-0.610	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NN(C)C)c1	2247796008	RKLDYNBUFOGTEB-UHFFFAOYSA-N	240.043	-0.980	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CO)CCCC1	2247800327	NUFWYYKUSFYPNT-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CN[C@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247800555	QEICDQRHNJYGNM-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]1CF	2247847839	CDXLZHLEJSEPLK-QMMMGPOBSA-N	240.043	-0.731	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1N(C)C(=O)C#CB(O)O	2247848301	JYYFSHIGTWMVKB-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
CONC(=O)c1cc(B(O)O)cc(C(C)C)c1	2247858193	BUPSJLMMUDBMPD-UHFFFAOYSA-N	237.064	-0.219	50	10	BBGE	
CC=C1CN(C(=O)c2ncccc2B(O)O)C1	2247865812	AUMNQQGTNRDYCT-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CCN(CC)C(=O)c1cc(B(O)O)cn1CC	2247868369	SMTCYLOSRSLMJX-UHFFFAOYSA-N	238.096	-0.330	50	10	BBGE	
CCCCCNC(=O)c1nn(C)cc1B(O)O	2247870512	KVNQIDGHKWPGKS-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
Cc1coc(NC(=O)c2coc(B(O)O)c2)n1	2247872315	QFVDSENDIVXBPA-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247877787	DHJZVWLTUQPQFM-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247886466	BTMFFGCUFBMJQI-XKNYDFJKSA-N	240.112	-0.648	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCNC1	2247899228	LONMVTOEDXQTOY-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@]12CC[C@@H]1CNC2)[C@H]1C[C@@H](B(O)O)C1	2247910634	QMCLWQTXRBAPKN-SDNRWEOFSA-N	238.096	-0.892	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC=CC1	2247979445	ULCATKTYIZUZPP-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
O=C(O)[C@@H]1CC=CCN1C(=O)C1(B(O)O)CC1	2248573252	BHNPZKTWIAMBBD-ZETCQYMHSA-N	239.036	-0.765	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248575602	BZHIAKNOUHCCLI-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]1B(O)O	2248575603	BZHIAKNOUHCCLI-KVPKETBZSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2248578350	NDMHPDUXQVEEHP-SSDOTTSWSA-N	241.052	-0.683	50	10	BBGE	
C[C@H](C(=O)O)C1CN(C(=O)C2(B(O)O)CC2)C1	2248584675	ADJZMCBBGSBZGW-LURJTMIESA-N	241.052	-0.828	50	10	BBGE	
CC(C)[C@@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2248587802	USTFYCHSQCTFBY-ZETCQYMHSA-N	243.068	-0.439	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]1C(F)F	2249419696	KJZRPXVSWLSXEL-ZCFIWIBFSA-N	244.990	-0.561	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249420632	WXEBFTJCPWOVEL-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2250814888	MJERYUYMTGIXDW-SECBINFHSA-N	232.048	-0.703	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)[C@@H]1C[C@H]1C	2255454807	SCWJYCUDGZJQHZ-KHQFGBGNSA-N	248.091	-0.464	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255487849	VXQHETFXGDOQPP-QMMMGPOBSA-N	246.075	-0.789	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1c(F)cccc1B(O)O	2255497733	GTTBQACGTRHQRT-QMMMGPOBSA-N	249.050	-0.046	50	10	BBGE	
O=C(NCc1ccco1)c1ccc(B(O)O)cn1	2255517704	DZSWJGYVWKPWMA-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NCC1CCCC1)c1cncc(B(O)O)c1	2255524880	YXWVDGKEBIKPFN-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
COc1cc(C(=O)NCCC#N)ccc1B(O)O	2255555027	VDACYTNZIPJXIQ-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(F)c(B(O)O)c1	2255719628	HRXFEKZHBMPVON-SNVBAGLBSA-N	249.050	-0.212	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cncc(B(O)O)c1	2255721937	HVWIANAIPHLFPK-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
Cc1ccc(C(=O)N=c2cco[nH]2)c(B(O)O)c1	2255735783	AKDPVVKIPZPTBC-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#C[C@@H](CC)NC(=O)Nc1cccc(B(O)O)c1	2255891122	SJDCYNALKTTYIK-JTQLQIEISA-N	246.075	-0.100	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1O	2256018391	MOVMRMZJGSSGGJ-MRVPVSSYSA-N	249.075	-0.282	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2nccnc2B(O)O)C1	2256046379	PJKDSHGHPQSEER-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
Cn1cccc1CNC(=O)c1cc(B(O)O)co1	2258128386	PEDAEFZKIFIKEY-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(B(O)O)co1	2258129683	YKQCWYXZDRYGBF-WPRPVWTQSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1cc(B(O)O)co1	2258131481	VCOHOMUSALLLHO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1ccnc(NC(=O)c2cocc2B(O)O)c1	2258132930	KNUGDFNHMTZYRJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165783	YGKXTGLHINSSMN-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@H]21)[C@H]1C[C@H]1B(O)O	2298369336	RGEWFOLMHAAREX-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369817	GNBPLYSTIQRFAR-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CC[C@@]1(N)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376245	OKHCKMNSRFFJIQ-FXPVBKGRSA-N	240.112	-0.421	50	10	BBGE	
CC(C)(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376662	HOZLHXHCVIABDL-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
N#CC1(F)CN(Cc2occc2C(=O)NN)C1	2301458837	ZQPOHWUXYZILSR-UHFFFAOYSA-N	238.222	-0.069	50	10	BBGE	
CC(C)CNC(=O)CN1CC[C@@](C)(B(O)O)C1	2303096356	DLKVAOKFTUMJNC-LLVKDONJSA-N	242.128	-0.303	50	10	BBGE	
CC[C@](C)(CN1C(=O)C[C@H](C)C1=O)C(=O)NN	2303431973	OWCGQKUKBDIVCH-WRWORJQWSA-N	241.291	-0.212	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)c(F)cn2)c(C)n1	2303836611	OTAAGCHNHAEPQP-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Nc1ncc(B(O)O)cn1)CO2	2315937081	XJFWGUJDYNQIOK-ZOFUNIGCSA-N	249.079	-0.864	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cnco1	2317165766	OAWXLHFHWAAAMA-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
N[C@H]1C[C@H](CNc2ccc(C=O)c(B(O)O)c2)C1	2317350180	OPTVCRBVPXRFKS-CZMCAQCFSA-N	248.091	-0.672	50	10	BBGE	
CC(C)(C)N(CCO)CCC(=O)NN	58846091	SMMYGFINKYKOQE-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CNCCN(C)Cc1ccccc1C(=O)NN	70303777	SLQAAZXYBDUURB-UHFFFAOYSA-N	236.319	-0.059	50	10	BBGE	
NC(=O)NNC(=O)COc1ccccc1	70531951	GHLAJHWTQCHKAP-UHFFFAOYSA-N	209.205	-0.235	50	10	BBGE	
NNC(=O)COc1cccc(F)c1C(N)=O	82465072	DINISLORNCSVHI-UHFFFAOYSA-N	227.195	-0.707	50	10	BBGE	
CS[C@@H](C)CC(=O)NNC(=O)c1c[nH]nn1	119033546	MVNCVUNOTRXXIH-YFKPBYRVSA-N	243.292	-0.293	50	10	BBGE	
N[C@@H]1CCCCN(P(N)(N)=O)C1=O	148873791	QNSBPRFFHNGVSJ-RXMQYKEDSA-N	206.186	-0.648	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NNC(=O)N(C)C)O1	151068842	UEWMMXBOIGPRPZ-RQJHMYQMSA-N	215.253	-0.144	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cnc(C#N)c1C#N	156312396	XIEHSVWBUNDWBN-RQJHMYQMSA-N	232.247	-0.187	50	10	BBGE	
N[C@]1(C(=O)O)CCS[C@H]1CCCB(O)O	203787426	HXRXQLHBLUTUOJ-POYBYMJQSA-N	233.098	-0.473	50	10	BBGE	
CCCCNC(=O)/C(C#N)=C\NCCO	216581924	XKTKSWIFNINEOQ-HJWRWDBZSA-N	211.265	-0.108	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223681379	ONYJBYXZFVLNOU-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CN(C)NC(=O)c1noc([C@H]2CCCN2)n1	226406982	YVRPMCSDTCZXBI-ZCFIWIBFSA-N	225.252	-0.300	50	10	BBGE	
O=C(CBr)NC[C@]1(O)CCOC1	227128094	OAXAODFQEWLRJW-SSDOTTSWSA-N	238.081	-0.351	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)CC(=O)NN)C1	230357505	OHOCCFMVAIRNMD-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](O)CCN(C)[C@H](C)CCC(=O)NN	253036280	XCYXKUPUWHUOOL-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
COc1ccccc1C[C@H](N)C(=O)N(C)N	259064941	MVRBPKUKKJPKAK-VIFPVBQESA-N	223.276	-0.103	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1[C@H](C)CC(=O)NN	304549015	LZSOGHMZUXDGBE-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
O=C1NCNN2C[C@H](Br)C[C@H]12	306340067	WABZRQVXKBLBAV-RFZPGFLSSA-N	220.070	-0.584	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1CS2(=O)=O	306540588	OZXBMYCVCXQJPD-BIIVOSGPSA-N	234.708	-0.011	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CONC1=O	307167859	SSVRQVVVFHAMLA-UHNVWZDZSA-N	206.629	-0.593	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](O)CC1	307377261	WOTAHNQVYLHKAH-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
CCN1CCCN([C@H](C)C(=O)NN)[C@H](C)C1	320680075	KZJCZGIHLPMSLD-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CN1CCN(C2CCC2)CC1)C(=O)NN	378693398	BOICTUGJIHVKGD-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
COc1cc(CCC(=O)O)ccc1B(O)O	396034477	UKVJUFJUSJDIDK-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
CCOc1cc(CCC(=O)O)cc(B(O)O)c1	396098336	JVNPBEOSUCURCR-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
Nc1c(C(=O)O)sc2cccc(B(O)O)c12	396250659	XFUYSFBFAZZGSM-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)C[S@](C)=O	399928506	XATAOYXUHZTISX-LADDVGSOSA-N	249.380	-0.300	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(C)(C)OC	404258443	UHFFPOXAXFKYMB-MRVPVSSYSA-N	233.312	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC=C(Cl)C1	404337322	CIPSRAQRVHENJC-MRVPVSSYSA-N	233.699	-0.180	50	10	BBGE	
COCC(=O)Nc1ccc(Cl)cc1B(O)O	404943991	APRPBCLPYYMBSX-UHFFFAOYSA-N	243.455	-0.395	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1ccccc1B(O)O	404982999	QYVZBCXTWGJLSU-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1occc1C(=O)Nc1cccc(B(O)O)n1	405069448	YRBHAQNKEGRLHO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NS(=O)(=O)N1CCCO[C@@H](Cl)C1	616660891	RUJIRSBQEKUOTM-RXMQYKEDSA-N	214.674	-0.523	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1C[C@@H](O)C1)C(=O)NN	703806925	TXNLATIOMNQSHY-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NN)CS1	709728325	FFVRWFPAWLPAIU-RNFRBKRXSA-N	231.321	-0.281	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](CF)C2)O1	711448317	RLSVFQZHOAQMNG-UTLUCORTSA-N	245.298	-0.185	50	10	BBGE	
CC1(C(=O)Nc2cccc(B(O)O)n2)CCC1	720674725	FZYSQDVBPUSFPW-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@H](C)C1	721479540	HFDSNTRCOAVOQR-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC(C)OC(=O)NNS(=O)(=O)N(C)C	842588422	YTUDBHRGCHSSNQ-UHFFFAOYSA-N	225.270	-0.568	50	10	BBGE	
CCNC(=O)NNC(=O)[C@](C)(CC)CO	847391161	SJXQWNOEULMPSJ-SECBINFHSA-N	217.269	-0.255	50	10	BBGE	
Cc1nnc(NNC(=O)COCC2CC2)n1C	856051190	UMNXBELDRKJUBH-UHFFFAOYSA-N	239.279	-0.007	50	10	BBGE	
CS(=O)(=O)c1n[nH]c(NC(=O)CCl)n1	1116439031	CRRVCJWWPWYZRR-UHFFFAOYSA-N	238.656	-0.615	50	10	BBGE	
COC(=O)C(=O)NN=C1CN2CCC[C@H]1C2	1261833366	VTFAAMYJBGTGMH-ZETCQYMHSA-N	225.248	-0.643	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNc1ccncn1	1298155171	LDVLGEBUHIVAQC-UPHRSURJSA-N	245.246	-0.232	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1ncccn1	1299520254	GXOGZRSILUEBKO-DUXPYHPUSA-N	206.205	-0.186	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1cccnn1	1303113643	URTXNBYUJBAUMX-VIFPVBQESA-N	249.274	-0.668	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cn(C)c(O)n1	1328745519	PSTOLYVTRBMXKR-UHFFFAOYSA-N	243.292	-0.793	50	10	BBGE	
Cc1ncc(C(=O)NNc2nnc(C)n2C)[nH]1	1348384226	URBATJSBWDUXQU-UHFFFAOYSA-N	235.251	-0.088	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc[nH]1	1556781262	AUECBRIQVYIIQI-QMMMGPOBSA-N	238.247	-0.260	50	10	BBGE	
NCC(CN)NC(=O)[C@H]1C[C@H]1Br	1881353343	FVUMBLJMENUJNI-NTSWFWBYSA-N	236.113	-0.828	50	10	BBGE	
C=C[C@@H](CCl)NC(=O)CS(C)(=O)=O	1884009198	HYKXUXHOKKQFIH-LURJTMIESA-N	225.697	-0.059	50	10	BBGE	
C[C@H](NC(N)=O)c1cscc1B(O)O	1886862834	QMBNIVDZAISATR-BYPYZUCNSA-N	214.055	-0.843	50	10	BBGE	
C#CCN(C)C1CN(C[C@@H](O)CCl)C1	1888664978	RDUOGZUGMIJYCD-JTQLQIEISA-N	216.712	-0.165	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)C(=O)C(=O)NN	1888816693	DFIGBSBGLQUPKD-PHDIDXHHSA-N	203.217	-0.960	50	10	BBGE	
C[C@H](CO)CN1CC[C@](C)(B(O)O)C1	1891586331	RXLHVNPMRIEGEL-IUCAKERBSA-N	201.075	-0.446	50	10	BBGE	
CN(C)CC1(O)CN(C(=O)OCCl)C1	1892488296	CXDYVILSAKRJHG-UHFFFAOYSA-N	222.672	-0.072	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@@H]21)N1CC[C@H](B(O)O)C1	1902517558	JJMSXBKUJMGOCY-MAUMQABQSA-N	225.053	-0.903	50	10	BBGE	
CCc1nccn1Cc1nc(B(O)O)cs1	1902655837	ARKZDKCZQOGDAY-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
CC(=O)N(C)C1CN(C(=O)/C=C/C(=O)Cl)C1	1905298914	CRHNZUDQZHCRTD-ONEGZZNKSA-N	244.678	-0.003	50	10	BBGE	
COc1ncc([C@@H](N)[C@@H](O)C#N)cc1[N+](=O)[O-]	1906069743	SHOXSHLGEAQQQR-JGVFFNPUSA-N	238.203	-0.117	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043265	OJYPNSIECUPELO-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
C[C@@H](C#N)CN(C)CCOCC(=O)NN	1928180040	WWWLHYVQTLQBAD-QMMMGPOBSA-N	214.269	-0.916	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNCCO)C[C@@H](C)O1	1929835643	VUYYANFHNGTNPG-AYMMMOKOSA-N	216.281	-0.197	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1929836586	LWSWLFTTZLBHFU-DMAGGPPCSA-N	212.249	-0.977	50	10	BBGE	
Cn1[nH]cnc1=N[C@@H]1COC[C@@H]1Cl	1930288937	FILIGTHXNPPWHK-NTSWFWBYSA-N	202.645	-0.345	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H](CCl)C1CC1	1930731252	OQWHBLBARPIUNJ-SSDOTTSWSA-N	229.671	-0.193	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H](C1)O2	1936086394	VAYUTDUWQZXLOU-AXTSPUMRSA-N	225.292	-0.524	50	10	BBGE	
CN(CC1CC(O)C1)C[C@@H]1C[C@@H]1C(=O)NN	1936093715	GYJQNCMXDKBWCT-LRHRNSLUSA-N	227.308	-0.685	50	10	BBGE	
CCOC1CC(CN(C)C(=O)C(=O)NN)C1	1936647213	CDODQSIAEAYTEY-UHFFFAOYSA-N	229.280	-0.750	50	10	BBGE	
CCC[C@H](OC[C@H]1COCCO1)C(=O)NN	1939102550	UPTRCHGZXMCSHS-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(C)(CO)C1	1940018450	LPRUJGNVOHSACI-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@H](CO)C1	1941089655	WYOVVHUZWANEQZ-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)COCCOc1cccc(CO)c1	1941773249	VEYFXMMRHKVZFE-UHFFFAOYSA-N	240.259	-0.436	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]([C@H]2CCCCO2)C1	1947537848	VNGZICJJYFKYGX-RKDXNWHRSA-N	241.291	-0.606	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C	1951322084	SMDVENZXPAIMPN-BDAKNGLRSA-N	229.085	-0.267	50	10	BBGE	
O=C1NC[C@H]2CC[C@H]1N2C[C@H](O)CCl	1956943786	RNAKUIYKWUIHIS-BWZBUEFSSA-N	218.684	-0.451	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(OCC(N)=O)C1	1958805950	XPQKPAROYAFOBY-SSDOTTSWSA-N	234.683	-0.284	50	10	BBGE	
CCCCC(=O)N[C@H](CB(O)O)C(=O)O	1958868959	GCZDXXHSDGBWIM-ZCFIWIBFSA-N	217.030	-0.781	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@@H](O)C1	1960249315	URTJBLANRYTVNV-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
CN(CC(=O)NN)C[C@@H](O)C1CCCC1	1960663507	RVYVLCPUZWVXJA-SECBINFHSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ncc(B(O)O)cn1	1961691864	QUEAYYBAOKADDJ-RQJHMYQMSA-N	207.042	-0.999	50	10	BBGE	
OB(O)c1csc(N2CC3CC(C3)C2)n1	1961719196	ZNAKOWVSDQFXPO-UHFFFAOYSA-N	224.094	-0.331	50	10	BBGE	
CC(C)[C@H](OC[C@H](C)N(C)C)C(=O)NN	1974648954	UOQPQZQITHAULA-IUCAKERBSA-N	217.313	-0.032	50	10	BBGE	
COC[C@]1(C)CCN1C[C@@H](C)C(=O)NN	1974731468	BRMWIYKBNDMVQS-SCZZXKLOSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1976762014	WOMKMHDAFSQQHV-NKWVEPMBSA-N	225.252	-0.415	50	10	BBGE	
NNC(=O)CCN1CCC([C@@H](F)CO)CC1	1977994243	OQMJUFQHSXKAOK-VIFPVBQESA-N	233.287	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC([C@@H](F)CO)C1	1979547842	KIMNWUWLOFFHOG-OOZYFLPDSA-N	233.287	-0.737	50	10	BBGE	
CC(C)[C@@H]1CCN1c1ncncc1B(O)O	1981417031	WJJKJISZEWNQRE-VIFPVBQESA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1csc(N2CC[C@@]3(CCO3)C2)n1	1981468629	FYHIXNCVVGHXNK-SECBINFHSA-N	240.093	-0.808	50	10	BBGE	
NNC(=O)COCCn1cccc(Cl)c1=O	1982136354	IJBSMRTWYBFFOH-UHFFFAOYSA-N	245.666	-0.492	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1[C@H]2OCC[C@@H]21	1983239753	VOWOOGTWQDIMMA-OKNNCHMLSA-N	223.228	-0.310	50	10	BBGE	
NNC(=O)CCCN1[C@H](CO)[C@H]2CC[C@@H]1C2	1984193458	TYXDNWBFBNICCN-IVZWLZJFSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)CC1(C)C	1986377532	CSZLOUDJVIUEQL-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C2(CC2)C1	1987899525	KCKJCIKLCRQSQG-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
ClC[C@H]1COCC[C@H]1NCCn1cnnn1	1989878141	VXVWKVWRVKBLHC-DTWKUNHWSA-N	245.714	-0.093	50	10	BBGE	
CN(CCO)CCN(C)C(=O)/C=C/C(=O)Cl	1991704287	RBYXWJOITMKBDA-ONEGZZNKSA-N	248.710	-0.310	50	10	BBGE	
C=C(CN1CC2(CC(COC)C2)C1)B(O)O	1992159947	QSKHAYPOJLOESN-UHFFFAOYSA-N	225.097	-0.087	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1CCCC(=O)NN	1994868269	LZRLVYWRZVQOAO-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1CCCO	1995117198	GBVJKSZYTKDYNQ-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
COCC1CC(O[C@H](COC)C(=O)NN)C1	1995355281	ZECZZPKZMKOXNC-AMDVSUOASA-N	232.280	-0.567	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccc(B(O)O)cn2)C[C@@H]1F	1996646008	QTBMRVTZCGCBKX-OIBJUYFYSA-N	238.027	-0.552	50	10	BBGE	
NNC(=O)C(=O)NCc1ncoc1C1CCC1	1997730666	SFVWXHDNPYMJMW-UHFFFAOYSA-N	238.247	-0.452	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1997763864	BUMWZKGQZQKOJJ-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
C[C@@H]1OCCN(c2ncccc2B(O)O)[C@H]1C	2004935232	LWZSVONWWMOSTA-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)CC(C)C)n1	2005016120	LCXVJBCHOIJPBW-UHFFFAOYSA-N	237.112	-0.135	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CO[C@H]2C[C@@H]1C2	2011813342	QPUVMFYZMXAHCB-HHKYUTTNSA-N	239.319	-0.278	50	10	BBGE	
NNC(=O)CCCO[C@H]1C[C@H](n2cncn2)C1	2012100500	WMTDSVPMDGGWRE-KYZUINATSA-N	239.279	-0.232	50	10	BBGE	
CC1(C)OC[C@@H](N2CCC(O)(C#N)CC2)[C@H]1O	2020353868	BSJWTMIHOTVLNG-NXEZZACHSA-N	240.303	-0.125	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)ccc1F	2021164260	FFKLWTMHSLCIQS-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
C[C@H](Cc1ccncc1)N(C)C(=O)C(=O)NN	2024205435	ITMIBSWLYZOWRH-MRVPVSSYSA-N	236.275	-0.539	50	10	BBGE	
OB(O)c1cc(F)ccc1COCC1COC1	2025712548	GQNJJIMOGZVFQN-UHFFFAOYSA-N	240.039	-0.332	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC[C@@H]2C[C@H]21	2040236293	OJZFLGVNYHMVLQ-SZEHBUNVSA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@@H](C3)C2)nc1	2052467689	UBHQIFAYOIBRJZ-ZJUUUORDSA-N	247.107	-0.217	50	10	BBGE	
N#Cc1cc(F)c(B(O)O)cc1[N+](=O)[O-]	2060184888	CKMPROJQVOOOLE-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(B(O)O)cc1C#N	2060211363	ANGSXOYBRNZFSO-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cn1nnc2cccc(N3CC(=O)OC(=O)C3)c21	2064249381	KUKHKQSCKFAOAC-UHFFFAOYSA-N	246.226	-0.142	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)NNC(N)=S	2209291137	ZYWZKMPBIHOPSW-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1ncc(B(O)O)s1	2211377901	OJWYYWAGOJPSGR-RITPCOANSA-N	240.093	-0.193	50	10	BBGE	
C[C@]1(CO)C=CCN1CC(F)(F)C(=O)NN	2211782387	OMPXXLADRNXPOA-MRVPVSSYSA-N	235.234	-0.766	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]3C2=O)CCC1	2216529266	BIXHGFVWYOPGOT-KNVOCYPGSA-N	237.259	-0.849	50	10	BBGE	
NNC(=O)C1(CN2CC(CCCO)C2)CCC1	2216703807	PHMUDRZKERFAKO-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
CNC1(COc2ccc(B(O)O)cn2)CCC1	2217172595	KSQODRCQYQKHMB-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
N[C@H]1CC[C@H](CNc2cc(B(O)O)ccn2)C1	2217175167	FLEIFLZCIFZGIP-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
Cc1cnc(N2O[C@H]3C=C[C@H]2C3)cc1B(O)O	2217183811	OIVUPYUDMFXMGR-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
Cc1cnc(N[C@H](C)CN(C)C)cc1B(O)O	2217183928	PBDOMTPGMDDGKW-SECBINFHSA-N	237.112	-0.568	50	10	BBGE	
N[C@@H](COc1ccc(B(O)O)cn1)CC(F)F	2217189097	XZIMREJQVZLMOV-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
N[C@H]1CC[C@H](COc2cc(B(O)O)ccn2)C1	2217193867	PBHJGSPKSCGFAN-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
CC[C@H](C)[C@H](CO)Nc1cc(B(O)O)ccn1	2217197753	QJIGYFOFEYOJAR-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCO[C@@H]1C1CC1	2223666714	KZAGKKJBKMOMNV-GHMZBOCLSA-N	248.091	-0.259	50	10	BBGE	
CNC[C@H]1CCCCN1c1ccc(B(O)O)cn1	2223672026	RJDUGWKSKSWMEJ-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3C[C@H]2C[C@H]3O)c1	2223673817	HVWYMHANYDLYDE-GISOBZBCSA-N	248.091	-0.667	50	10	BBGE	
O=S(=O)(NC/C=C/CO)N1CC(Cl)C1	2242026254	LHTUFQVNOKYCDD-OWOJBTEDSA-N	240.712	-0.708	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1COC(=O)C1	2242591835	PEMJAXALLTYURX-YFKPBYRVSA-N	217.608	-0.260	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cscc1B(O)O	2243347261	KCZORTHPJLECAL-PHDIDXHHSA-N	237.089	-0.434	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccsc1B(O)O	2243359904	XYRMQYBHTPBWRX-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
C#C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243382410	NZFVRKOVOYDLES-GUBZILKMSA-N	221.065	-0.279	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243391485	LERZJUXYOLYVCT-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@@H]1C[C@@H]1B(O)O	2243392495	UTZNOVSJOWIWSN-KVFNKXHESA-N	221.065	-0.380	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)C1CC(B(O)O)C1	2243392667	VXSKUHRQEJHHIY-UEJVZZJDSA-N	224.069	-0.143	50	10	BBGE	
C[C@H](CO)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243396976	TVVIPNFHZMMNNE-CIUDSAMLSA-N	229.085	-0.626	50	10	BBGE	
COC1(COc2ccncc2B(O)O)CCC1	2247371548	WEMKIGILZVMMKP-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
C[C@H]1C(NC(=O)c2ccncc2B(O)O)[C@@H]1C	2247721590	GKWONZBYGCKPFM-RNFRBKRXSA-N	234.064	-0.854	50	10	BBGE	
CC(C)(C)CCNC(=O)c1cc(B(O)O)c[nH]1	2247738300	PVAWFALUESCKNN-UHFFFAOYSA-N	238.096	-0.140	50	10	BBGE	
CC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CN1	2247750280	GZPURDGPOBEFNR-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
O=C(N1CC([C@H]2CCNC2)C1)C1(B(O)O)CC1	2247751303	WAHHRJMXOGFBGB-QMMMGPOBSA-N	238.096	-0.939	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccc(F)c(B(O)O)c1	2247752498	QNTSLDPUMGDXNV-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(C(=O)C2(B(O)O)CCC2)C1	2247753711	BFSCMTCNUVIUID-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
Cc1nc(CN(C)C(=O)C2(B(O)O)CC2)no1	2247754821	FWEUQGDYHTVYBC-UHFFFAOYSA-N	239.040	-0.657	50	10	BBGE	
COCCC1(CNC(=O)C2(B(O)O)CC2)CC1	2247757553	WHQCYBLFAHXNMX-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1CO)C1(B(O)O)CC1	2247758312	UVJJBUGJYOQLIC-IUCAKERBSA-N	241.096	-0.482	50	10	BBGE	
CO[C@H](CNC(=O)C1(B(O)O)CC1)C1CCC1	2247758337	VBQYKCPNOAARPC-SECBINFHSA-N	241.096	-0.075	50	10	BBGE	
COCCNC(=O)c1cc(C)ccc1B(O)O	2247760387	HKSPZFGOAUSTAE-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)cc1	2247775337	JZTOHCFKUSGZRU-UHFFFAOYSA-N	230.032	-0.448	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1Cc2c[nH]nc2C1	2247785804	QRALYWLZIXTJEV-WRXNHJIOSA-N	235.052	-0.495	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1c[nH]nc1B(O)O	2247785960	TUBAOXDFMBQIIC-SNVBAGLBSA-N	237.068	-0.896	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)C1CC(B(O)O)C1	2247796882	DPWSSHRPVCZNQJ-RTBKNWGFSA-N	241.096	-0.075	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247803291	AKXCXMGLKWTFJD-GUBZILKMSA-N	243.112	-0.285	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247809404	ZBEVXGLLOXCRQY-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
CC(C)(O)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247846614	JNCFLURPIGJQGN-VIFPVBQESA-N	239.080	-0.846	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC12CC(F)(F)C2	2247848001	FPPPOSOPKWQJII-ZETCQYMHSA-N	243.018	-0.447	50	10	BBGE	
NCC1CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247854819	ISENZDYQTOIBOX-YDYPAMBWSA-N	240.112	-0.517	50	10	BBGE	
CC1(C)CNCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247860397	WNTDUUWZRALNAO-BDAKNGLRSA-N	240.112	-0.693	50	10	BBGE	
N[C@H]1CCCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247879069	PXNZDJRALCWKQL-IUCAKERBSA-N	240.112	-0.230	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1occc1B(O)O	2247879214	RLXILMKIPRDORB-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247886772	GFKQRRVXGRBPCZ-YUMQZZPRSA-N	235.052	-0.736	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247899490	NPDDEKGJGMBEGC-UTINFBMNSA-N	240.112	-0.789	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCNC1	2247910685	RCFMXTIPUJIEDQ-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(O)CC1CN(C(=O)C2(B(O)O)CCC2)C1	2248587287	NVSIJHHLZCPIFC-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(C)C)C[C@H](C)O	2250516095	FUSSCOJUYKJZBB-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H](C2CC2)C1	2255460144	QDWNJFHAQYFSIO-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1occc1B(O)O	2255479247	QFNKITDUXISCOX-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1(n2cccn2)CC1)C1(B(O)O)CC1	2255491694	AGYJMRBKFNOUEL-UHFFFAOYSA-N	249.079	-0.505	50	10	BBGE	
Cc1coc(NC(=O)c2cc(B(O)O)cn2C)n1	2255509554	RVKKRUITLWATLM-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCCO1	2255515065	RXABKRLFWYZSCI-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1C[C@@H]2C[C@H]2C1	2255515399	XBYRCFWMWRILME-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
Cc1nccnc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2255572221	WSJYSVKDXQDUQX-BDAKNGLRSA-N	249.079	-0.394	50	10	BBGE	
Cc1ccnnc1CNC(=O)C1CC(B(O)O)C1	2255580094	YEGGMWVRAXITCW-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255669030	IKDRPNGWDAQPJA-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@H]1C[C@@H]2C[C@@H]2C1	2255670519	GFHUHRUXFVDDCQ-DIYOJNKTSA-N	248.091	-0.435	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1c[nH]nc1B(O)O	2255683428	WPBJPWHAAPEORN-VXNVDRBHSA-N	249.079	-0.992	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CCCC2)c1	2255740520	YSDPMMNDNVEDKL-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
O=C(Nc1cccn2cnnc12)[C@@H]1C[C@@H]1B(O)O	2255768289	HNPNSTQIGUFQLR-RQJHMYQMSA-N	246.035	-0.469	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@H]3C[C@@H]32)c(B(O)O)c1	2255788810	WFAMEPABOMCGSO-WPRPVWTQSA-N	246.075	-0.696	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1cocc1B(O)O	2258135926	IEDGZJCRBWCABY-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2298165267	OPBMCGUQPPLJCW-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298166099	RZHDJFCEFKYKHK-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375254	BTMFFGCUFBMJQI-UTINFBMNSA-N	240.112	-0.648	50	10	BBGE	
CO[C@@]1(CN2CC[C@](C)(B(O)O)C2)CCOC1	2303134268	PGMIETYYWRFIRU-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)[C@H](OC)C1)C(=O)NN	2303424675	UPYUHQONTFCSPV-FXPVBKGRSA-N	245.323	-0.916	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC[C@H]2COC[C@@H]2O1	2306828522	NYQUGCLYPFHIIE-GUBZILKMSA-N	243.307	-0.898	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCNC1	2317209016	NTSMMEGWUBLWLB-VIFPVBQESA-N	246.075	-0.774	50	10	BBGE	
NNC(=O)NCc1ccc(S(N)(=O)=O)cc1	36948062	LHNWXQOHRUBQQR-UHFFFAOYSA-N	244.276	-0.993	50	10	BBGE	
COC(=O)NNC(=O)Nc1nncs1	43130536	CFPOVFCDRAUWAM-UHFFFAOYSA-N	217.210	-0.069	50	10	BBGE	
NCCC(=O)NNC(=O)Cc1ccccc1	49818235	QQIIRRQHKPBJAI-UHFFFAOYSA-N	221.260	-0.275	50	10	BBGE	
O=C(NCCCl)[C@H]1CCS(=O)(=O)C1	82998993	OLDWZMFJXDTNMP-LURJTMIESA-N	225.697	-0.224	50	10	BBGE	
Cc1nnsc1C(=O)NNC(N)=S	83590941	VTUPGHWZROBEGP-UHFFFAOYSA-N	217.279	-0.675	50	10	BBGE	
C[C@H]1C(=O)N(CCCCC(=O)NN)C(=O)[C@@H]1C	118378282	HGQUUGAIYKRALL-HTQZYQBOSA-N	241.291	-0.212	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COCC(F)F)O1	131008051	FKVJAOXPFVHFRN-WDSKDSINSA-N	224.207	-0.194	50	10	BBGE	
N#C[C@@H](Cl)CN1CCCNC(=O)C1	132546625	MLSBQUOHMAISQK-SSDOTTSWSA-N	201.657	-0.061	50	10	BBGE	
C=C(C)COCCN1CC(=O)OC(=O)C1	168820005	KOFUJWXYTMXRQH-UHFFFAOYSA-N	213.233	-0.036	50	10	BBGE	
OB(O)c1cnc(-c2cccc(F)c2)nc1	198019578	SQZPOBBPBMTAMJ-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
COCCOCCOc1cccc(B(O)O)c1	199004702	NOIGOOOODZMMRZ-UHFFFAOYSA-N	240.064	-0.592	50	10	BBGE	
COC(=O)CN[C@@H](C)c1sccc1B(O)O	204361076	BUUZNTROHTYUAS-LURJTMIESA-N	243.093	-0.749	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CNC(=O)C1	229239781	HFRCNCMXZQLLAJ-UHNVWZDZSA-N	233.655	-0.672	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	232420462	DNWMRLZQVGRFDZ-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@@H](C)CCC(=O)NN	234368527	UYHKQZKLGNTBKV-IUCAKERBSA-N	244.339	-0.541	50	10	BBGE	
COC(=O)C[C@H](Cl)[C@@H](N)C(=O)OC	238357327	JBGAUKIXHHKKKV-UJURSFKZSA-N	209.629	-0.343	50	10	BBGE	
Cc1ccc([Si](C)(C)C)c(O)c1B(O)O	238494832	OGMVBGZDZVNIFY-UHFFFAOYSA-N	224.141	-0.074	50	10	BBGE	
CC[C@@H](C)[C@H](N)C(=O)NNCC(=O)OC	238797860	KMBCOMXXNIJREG-SVRRBLITSA-N	217.269	-0.846	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN2CCC[C@H]2C1	251205610	IDFACOYNLMOWQG-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CNNC(=O)c1ccc(S(C)(=O)=O)cc1	258968936	HVBYEGGICJSOIP-UHFFFAOYSA-N	228.273	-0.046	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(O)C1	300027911	DHQDBSJHQZVQKH-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@H](C)C1	300837876	GGQSXFSFORTFEU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=S1(=O)C[C@H]2C[C@H]1CN2C[C@@H](O)CCl	306335221	SPBMKNGJXHMREB-CSMHCCOUSA-N	239.724	-0.543	50	10	BBGE	
Nc1c(O)cc(B(O)O)c2sccc12	306831212	KCJWLVMIJXPCNT-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1C[C@H](O)CN1	307275714	SECUJAACFOAUJU-WHFBIAKZSA-N	227.091	-0.371	50	10	BBGE	
CC1(CNNC(=O)[C@H]2COCCN2)CC1	379462139	UGHCQEPGEFQNAY-MRVPVSSYSA-N	213.281	-0.604	50	10	BBGE	
CCO/C(C)=N\NC(=O)c1c[nH][nH]c1=N	379698577	PDGOQLAGYSXNFJ-WZUFQYTHSA-N	211.225	-0.078	50	10	BBGE	
N[C@H](CC(=O)NNc1ccccc1)C(=O)O	381415381	UQLATKHXQRSLAY-MRVPVSSYSA-N	223.232	-0.068	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	381887859	QUHWJEXHCLCGTO-XSPKLOCKSA-N	223.276	-0.519	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@@H]1O	388617713	NDYHCZFFJBVAKM-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(CCN1CCC[C@H]1CO)C(=O)NN	395597411	SQNWZIVUEWTXDM-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@H](O)C1	395820834	RRZMNWJOUSNIAY-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CNC(=O)NCCNC(=O)CCCl	397468549	URFLHRHNNJUGQZ-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)C(O)[C@H](C)C1	688122235	OHPJVIYLMCURTF-OPRDCNLKSA-N	243.351	-0.050	50	10	BBGE	
CCSC1(CNC(=O)C(=O)NN)CC1	691836641	MPWIBIVNEAHVRZ-UHFFFAOYSA-N	217.294	-0.622	50	10	BBGE	
O=C(OCCl)N1CC[C@@H](O)[C@H](CO)C1	692809943	UEYJVHXIVDPZMH-NKWVEPMBSA-N	223.656	-0.006	50	10	BBGE	
OCC[C@@H]1COCCN1C[C@@H](O)CCl	694963645	DHGUKARQVJEPNG-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
COC(=O)C(C)(C)CSCC(=O)NN	700566318	VCCSKNJAUOHPNT-UHFFFAOYSA-N	220.294	-0.091	50	10	BBGE	
CC(C)NC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703424184	JBQWKRGIYDTZNY-YUMQZZPRSA-N	240.259	-0.573	50	10	BBGE	
CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703437022	YZVDROCQQNXUFM-CSMHCCOUSA-N	240.259	-0.573	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)OCC(=O)N2	704664528	GVCSUYQORWXEJS-UHFFFAOYSA-N	221.216	-0.118	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2COC[C@H]2C1	718159061	GKQJAPZEGCFRDO-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
Cc1cc(C(=O)NNC2=NCC(O)=C2)n[nH]1	764795332	QQLYASFIDVWLGV-UHFFFAOYSA-N	221.220	-0.193	50	10	BBGE	
O=C(NN=CC[C@@H]1CCOC1)[C@H]1COCCO1	765581490	QRSDHVRVNAQISP-NXEZZACHSA-N	242.275	-0.070	50	10	BBGE	
CN(NC(=O)c1cnn2c1CCCC2)C(N)=O	778412317	SXXBLVDYYVSERG-UHFFFAOYSA-N	237.263	-0.125	50	10	BBGE	
CN1CCC(=NNC(=O)[C@H]2CCCO2)C1=O	814239567	OCSLQXFQAXGJHH-MRVPVSSYSA-N	225.248	-0.500	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2(C)CC2)nn1	855188028	YCIZHVCPPYRZOU-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@H]1CCCO1	907628013	UIFPVLWZZYKBOW-HTQZYQBOSA-N	244.291	-0.280	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@]12CCCN(CC1)C2	910145581	BXOPQHUILFUYQP-JQWIXIFHSA-N	241.335	-0.184	50	10	BBGE	
Cc1cccc(NNC(=O)[C@@H](O)C(C)(C)O)n1	912980883	CGZUBZBWJPAHGK-SECBINFHSA-N	239.275	-0.035	50	10	BBGE	
NC(=O)CCNNC(=O)c1ccncc1	1088721024	UJYRHHYGXBQSAT-UHFFFAOYSA-N	208.221	-0.809	50	10	BBGE	
Cc1cc(=NNC(=O)c2cnnn2C)cc[nH]1	1148419470	FNPBZXHPPYEVER-UHFFFAOYSA-N	232.247	-0.303	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC[C@@H]1C	1882316209	PQENGVPFNWEWBC-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
C#CCNC(=O)CNC(=O)CCCl	1882884379	JPYOOQUWFAAONT-UHFFFAOYSA-N	202.641	-0.519	50	10	BBGE	
CO[C@@H]1COC[C@H]1n1nnnc1CCl	1884865321	HBEOXENKODQTMD-PHDIDXHHSA-N	218.644	-0.002	50	10	BBGE	
C[C@@H](CC(=O)NCB(O)O)P(C)(C)=O	1892764111	MUHWBHHWXTUIFX-LURJTMIESA-N	221.002	-0.484	50	10	BBGE	
CC=C(C)C(=O)Nc1ncccc1B(O)O	1901545405	AZSJRSKRNHCTBK-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
Cc1scc(C(=O)N[C@@H]2C[C@@H]2F)c1B(O)O	1902860087	QGGIEGYKADPCSI-NKWVEPMBSA-N	243.068	-0.423	50	10	BBGE	
OB(O)c1cc(Nn2cccc2)ncc1F	1903006306	RFIRYFLIKYLKFR-UHFFFAOYSA-N	221.000	-0.423	50	10	BBGE	
N#CC1=CCN([C@@]2(C(=O)O)CCNC2)CC1	1903762166	KGJJKBFXPVNRQW-NSHDSACASA-N	221.260	-0.041	50	10	BBGE	
CS[C@@H]1CC[C@H]1N(C)CCOCC(=O)NN	1905229818	MFRWTQCXLGHIHV-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H]1CN2CC(F)F	1908990130	NTRLBLIBPYFYSX-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(F)C2)CC1	1917242416	GMKIOOAXGKRIEH-UHFFFAOYSA-N	205.208	-0.293	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCCOCC(=O)NN	1928178227	DJYJZIMOJFDVCX-SFYZADRCSA-N	218.253	-0.956	50	10	BBGE	
NNC(=O)C(=O)NC1CC[C@H]2C[C@@H]2CC1	1928213879	XGWZMNQAQXJPIU-BQBZGAKWSA-N	211.265	-0.329	50	10	BBGE	
CN(C)NC(=O)c1nc(NN)ncc1Cl	1928350366	OYRZJZIWKCUPPY-UHFFFAOYSA-N	230.659	-0.378	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)CBr)C1	1928756676	WVNQSMZETBBLBH-RITPCOANSA-N	237.097	-0.828	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@H](F)C1	1929909156	GJVJHFIMTGQFQL-PRJMDXOYSA-N	219.260	-0.840	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C(F)(F)C1	1931821301	DFSXWMHZQAYAKB-RITPCOANSA-N	223.223	-0.933	50	10	BBGE	
CC1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936088645	PMYXEIBLIFLULF-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@H](C1)C2(F)F	1936093310	CVPZXZZMXRYLCW-NGJRWZKOSA-N	231.246	-0.191	50	10	BBGE	
CCOc1cnn(CCOCC(=O)NN)c1	1936530068	PHAPRDCPLMTHDG-UHFFFAOYSA-N	228.252	-0.712	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)[C@H]1CO	1938245985	CKWBGKHWONVTKS-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1CCOCC(=O)NN	1941773038	RJPMASOTYLWGMB-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
COc1ccc(C(=O)NNCCO)c(OC)c1	1944215220	FSYYPRCNZNSERD-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
CC[C@H](Cl)C(=O)N(C)C(CO)CO	1954507990	TZLQAZXDNGLHGM-ZETCQYMHSA-N	209.673	-0.185	50	10	BBGE	
NC(=O)[C@@H]1CCN(C[C@@H](O)CCl)C1	1954822095	JUKBQDZEWIIOGV-RQJHMYQMSA-N	206.673	-0.607	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H]2C[C@H]21	1961508247	IALFJZJOHVCVKD-RBXMUDONSA-N	213.281	-0.526	50	10	BBGE	
C[C@H]1C[C@H](OCCOCC(=O)NN)CO1	1961629698	SGLAZBYQHHQCOR-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
CCC(C)(C)Oc1ncncc1B(O)O	1961686786	GMSJGZPZCWTRJE-UHFFFAOYSA-N	210.042	-0.276	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@@H]2C)ncc1B(O)O	1961694989	XFBXFOBRMWEDIW-YLWLKBPMSA-N	208.026	-0.748	50	10	BBGE	
C[C@@H](CO)N(C)CCC(F)(F)C(=O)NN	1975105079	WVAQYVOLMFKXIK-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
COC1CCC(N(C)C(=O)C(=O)NN)CC1	1976653280	FGZICJJBMJJJFS-UHFFFAOYSA-N	229.280	-0.608	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N(C)CC)C1	1980600687	AFXIZZZSBTUKJY-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]([C@@H](C)S(C)(=O)=O)N1CC(=O)OC(=O)C1	1980849745	FHWQLXWQHYZWGN-RNFRBKRXSA-N	249.288	-0.807	50	10	BBGE	
C[C@@H](Oc1ncc(B(O)O)cn1)C(F)(F)F	1981430279	MZDVHFXIBSLJMD-SCSAIBSYSA-N	235.958	-0.514	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCCN2C)C1	1987150382	ZTMKAHSLVXIYJY-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CO)C12CC2	1988761426	NFTSDTOAWQQKNZ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)C12CC2)C(=O)NN	1988761820	PSAGDGHKRCXRON-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NCC=CB(O)O	1991332693	BADDHEOXTLJJRV-NKWVEPMBSA-N	233.023	-0.038	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C(=O)C=CC(=O)Cl	1991650982	QGSGDVVANOGDOS-GMSGAONNSA-N	247.678	-0.348	50	10	BBGE	
NCC[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991652387	MTYKNHPPGPAFMA-QMMMGPOBSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@@H]1[C@@H](O)CO	1991712040	BQXPXHGQUNECAO-ZGNIKFQOSA-N	247.678	-0.348	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)/C=C/C(=O)Cl	1991712956	NAGYRXPWYSTXOI-WMFHHIPHSA-N	244.678	-0.461	50	10	BBGE	
C=C(CN1C[C@H]2CCN(C)C[C@H]2C1)B(O)O	1992152328	CWWUNJHZJZSGIZ-MNOVXSKESA-N	224.113	-0.562	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1CCCO	1995117196	GBVJKSZYTKDYNQ-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)n1	1995618928	OGRNBYZYMFYQOY-LVAAGULDSA-N	237.089	-0.144	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@](F)(CO)C1	1995937064	GESXSENPYNGISI-GXSJLCMTSA-N	247.314	-0.059	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1ncccc1C(=O)NN	1996577455	WOUZXUHZXWSBBD-ZETCQYMHSA-N	234.259	-0.194	50	10	BBGE	
CC(C)OCC1CN(CCOCC(=O)NN)C1	2001337483	ATJXPJVWKXNNQT-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@H](C)[C@H](C)C(=O)NN)C1	2002123129	YVWQBOYOSYHNJO-JXUBOQSCSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)CC23CC3)CC1	2003743488	FAONIHFTLUPVLL-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
Cc1nc(N(C)CC2(C)CC2)ncc1B(O)O	2004970788	HQQADXJATIALBG-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCOC[C@@H]1C	2005016239	MTRDOZLNJPQUFT-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2CC[C@H](C1)O2	2008872854	FZIIMCVPPTUYJN-OCAPTIKFSA-N	249.261	-0.135	50	10	BBGE	
C[C@]1(O)CON(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010832723	KUQUOAOLBDCVLQ-FXPVBKGRSA-N	243.307	-0.609	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C(C)C	2011348798	OYSZCLXDFYIDDM-BBBLOLIVSA-N	245.323	-0.918	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC2(F)F)n1	2011554784	HCFABTYTOQWXGN-ZCFIWIBFSA-N	244.006	-0.440	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]2[C@@H]1CCN2C	2012126708	DNUDXTGSHBLDCC-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3CCO[C@H]3C2)CC1	2012775694	SZVXPBUBGIJUIU-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1CNC(=O)OC	2014046449	UQVURJXNNAALEW-JGVFFNPUSA-N	244.295	-0.815	50	10	BBGE	
C[C@@H](F)CN1CCN(C[C@@H](C)C(=O)NN)CC1	2015813036	BWMQEOZDKRMQGU-NXEZZACHSA-N	246.330	-0.412	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2020056546	LYZMFDBDQVNJJK-WHUPJOBBSA-N	245.034	-0.038	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@@H](C)C(=O)NN)C2	2025607492	IFTZMCFORSVJAB-SSDOTTSWSA-N	235.291	-0.273	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ncncc1B(O)O	2052467494	RKABDRPBKIECNE-LPEHRKFASA-N	247.107	-0.361	50	10	BBGE	
CCOc1cc(B(O)O)c(F)cc1C=O	2060117477	RBGIMFZNOTZUHD-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
O=Cc1c(Cl)cc(B(O)O)cc1[N+](=O)[O-]	2060131633	LNAIOXVNUWYRIF-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCc1c(C#N)cc(B(O)O)cc1[N+](=O)[O-]	2060281039	DWTBPIQLKSIMJI-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1cc(C=O)c([N+](=O)[O-])c(B(O)O)c1	2060281494	OCJRWJJZHCQFBO-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
N#C[C@H]1CCN(C(=O)N[C@H]2CCC=C2B(O)O)C1	2076081316	HRFIELAJMUFVAR-SCZZXKLOSA-N	249.079	-0.358	50	10	BBGE	
OB(O)c1ccc(NN2CCCCC2)nc1	2212601827	UKDDXIOISDJBST-UHFFFAOYSA-N	221.069	-0.426	50	10	BBGE	
C#C[C@@](C)(CC)Oc1ccc(B(O)O)cn1	2212605379	CPSVKVKVTPAUFR-NSHDSACASA-N	219.049	-0.058	50	10	BBGE	
CC[C@@H](COC)Nc1cc(B(O)O)ccn1	2212606599	WRUZTWUQUYESDE-VIFPVBQESA-N	224.069	-0.402	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@H]1CC[C@@H]1C(=O)NN	2215777372	SHRATZAJGFXNOV-HLTSFMKQSA-N	241.291	-0.750	50	10	BBGE	
CC(C)[C@@H](CO)CNc1ncccc1B(O)O	2217174187	WZXCFCAYTWEBMQ-SECBINFHSA-N	238.096	-0.562	50	10	BBGE	
CCCN(CCO)c1nccc(B(O)O)c1F	2217180001	DJCIXOLPTPKRDP-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
CC[C@H](CN)COc1cc(B(O)O)c(C)cn1	2217185637	ZRSBUIJZHXXMMJ-SECBINFHSA-N	238.096	-0.566	50	10	BBGE	
C[C@H]1C[C@H](N(C)c2cc(B(O)O)ccn2)CO1	2217200154	RAVTVZCWVSXJOS-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
Cc1cnc(O[C@]23CNCC[C@@H]2C3)cc1B(O)O	2223620690	PDIVDYWTZGVFRQ-BXKDBHETSA-N	248.091	-0.799	50	10	BBGE	
CCc1c(Nc2ccc(B(O)O)cn2)cnn1C	2223665928	GFTWSVBWQOECMD-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2242798734	NUJFGRZJUHGUAV-AATLWQCWSA-N	246.694	-0.422	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)CS1	2243349764	QBTDIYFTPARYAY-RKDXNWHRSA-N	241.121	-0.256	50	10	BBGE	
CN1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243391942	PLVNTTSDRIIYMT-AMDVSUOASA-N	226.085	-0.940	50	10	BBGE	
COC1CC(NC(=O)C2CC(B(O)O)C2)C1	2243392467	UKWQUJLQWNLZIM-UHFFFAOYSA-N	227.069	-0.467	50	10	BBGE	
CCCN(CCN)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396667	PHBPIMLWHRXZPA-KYZUINATSA-N	228.101	-0.563	50	10	BBGE	
C#CCCN(C)C(=O)c1csc(B(O)O)c1	2243406879	HBIYIBUTPHUBSO-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
CC1(F)CN(C(=O)c2ccoc2B(O)O)C1	2243408237	JOUIIQIVYDNCMB-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1occc1B(O)O	2243411231	QGNYHGNXFBLGNT-LURJTMIESA-N	241.077	-0.805	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC=C(F)C1	2243420361	RDNNCANFRASXSH-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
C=C[C@H](C)Oc1nc(C)nc(C)c1B(O)O	2244127411	NXHIWFUYYCPPPF-LURJTMIESA-N	222.053	-0.273	50	10	BBGE	
O=S1(=O)CC[C@H](N2CCC(B(O)O)CC2)C1	2244179686	DUNYXDQIVFVHAV-VIFPVBQESA-N	247.125	-0.888	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)N(C)O	2244194702	XSMVPAWTHREHBJ-UHFFFAOYSA-N	227.000	-0.725	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cocc1B(O)O	2244205407	IZNRKLWJYCREJS-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
NCc1cn(CCNC(=O)[C@H]2C[C@@H]2Cl)nn1	2244563137	BBVCDBILDGBRDU-YUMQZZPRSA-N	243.698	-0.520	50	10	BBGE	
C[C@]1(CO)C=CCCN1C[C@@H]1C[C@@H]1C(=O)NN	2246358799	IJJGIXPXMYAHLO-JBLDHEPKSA-N	239.319	-0.375	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1cc(B(O)O)c[nH]1	2247744895	ZEZZAPSOBNHZRE-XPUUQOCRSA-N	240.043	-0.733	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]1CF	2247754444	DETWNSDJEQCMPY-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786998	JRQOVVVOIZOKDF-KZVJFYERSA-N	240.112	-0.519	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247787186	LZFREVDTFKLASU-AEJSXWLSSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCN[C@@H]2C1	2247803264	AHJKKCDFNWZAKL-QCLAVDOMSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cnn(C)c1	2247806541	FWHOAWFAPCCVOH-CNUIFLNQSA-N	237.068	-0.540	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC[C@H]2C[C@@H]2CC1	2247847444	XHFGPPKKFQTNRC-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H]1C(F)(F)F	2247849151	WDAFDPAJLGSZDS-BQBZGAKWSA-N	248.997	-0.294	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1occc1B(O)O	2247855175	OHHROJANBRZFQR-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
CC[C@]1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247858422	DXEPWUMQYALCMD-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCCCF)c1ncccc1B(O)O	2247866788	SDIOCTUGCJDURO-UHFFFAOYSA-N	240.043	-0.759	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cncc(B(O)O)c1	2247869113	MBCXYPUBEMECQX-MRVPVSSYSA-N	236.080	-0.463	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247873093	DXJVOPRKEKREJY-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccc(C(=O)N(O)C(C)C)cc1B(O)O	2247873936	HQHWKQDLNCNFTQ-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
O=C(N1CCC[C@@H]2CNC[C@H]21)C1(B(O)O)CC1	2247874757	TVJPWFQGOQIGHS-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
CC1(C)CNCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247887946	UCFCCDOUTJGZCZ-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@H](N)C1	2247888204	XCHXOSAEGUUXKF-JLIMGVALSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2COC[C@H]21	2247892729	GWMPMNZKEDVXAO-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CCO[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896995	MRUFJNMHKNYEBU-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCc1ccncc1)[C@@H]1C[C@H]1B(O)O	2247897151	OQWADSRJHAJKJX-NXEZZACHSA-N	234.064	-0.397	50	10	BBGE	
C[C@]1(CCO)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899934	RPKKBWOZFWWNAE-FXPVBKGRSA-N	241.096	-0.530	50	10	BBGE	
CCNC(=O)Nc1ccc(F)c(F)c1B(O)O	2248105334	FEHRKSNOKVYOLV-UHFFFAOYSA-N	244.006	-0.214	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)C1CC(B(O)O)C1	2248573292	BWDBRMHPYVQSCN-UHFFFAOYSA-N	241.052	-0.661	50	10	BBGE	
C[C@H](CCCC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248574879	VQJMTTXAKQSUCC-CSMHCCOUSA-N	243.068	-0.391	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H](C)CC(=O)O	2248575874	CSFNCBBPNWFASZ-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)co2)C1	2249407807	CSQJDADBDMPTLZ-OTSSQURYSA-N	233.032	-0.899	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)c1ncc[nH]1	2255488868	KWTIGBOGEGSIEW-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(N[C@@H]1CCCn2ccnc21)C1(B(O)O)CC1	2255489558	VJKXTANCZVFWNV-MRVPVSSYSA-N	249.079	-0.159	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2255513215	NDHLIBIQMPZDKR-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1CCOC1	2255515023	RBGYDZGOSHJVMW-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cn2)C1	2255520799	OQNQCNJIQACODA-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255531705	QZJVLFIIDXFYGR-XLDPMVHQSA-N	248.091	-0.464	50	10	BBGE	
NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1B(O)O	2255569979	BBJLQXRHAVJLHH-HTQZYQBOSA-N	248.047	-0.413	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CC[C@H]1C	2255577293	RXVGNYFRVKOELX-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
CN(C)Cc1ccccc1NC(=O)C#CB(O)O	2255672694	KQCLROOVYPWCAU-UHFFFAOYSA-N	246.075	-0.298	50	10	BBGE	
Cc1ccnc(NC(=O)c2ccc(B(O)O)o2)c1	2255672697	KRNHJQBVLLQOSE-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)=CCNC(=O)c1nc(C)ccc1B(O)O	2255726169	SOHYDUHKPAVNGS-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255729386	UTMIXYRNGIJMAK-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1c(F)cccc1B(O)O	2255730008	DXAJKWIKOIZMSV-QMMMGPOBSA-N	247.034	-0.647	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@H]32)cc1B(O)O	2255731092	ZZHHRGZBXFGMEZ-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1ccncc1B(O)O	2255733258	IHMWEZFPBDTURI-VIFPVBQESA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2cccn2)C1)[C@@H]1C[C@H]1B(O)O	2255768553	IEEVWEXXRFUGMO-ZYUZMQFOSA-N	249.079	-0.434	50	10	BBGE	
CCC1CC(NC(=O)c2ncc(B(O)O)cn2)C1	2255777204	YSZOALLBYBDQLV-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
Cc1nc(NC(=O)c2cc(B(O)O)co2)[nH]c1C	2258137224	UECZUQUGSHCBNB-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
CN(Cc1ccnnc1)c1ccc(B(O)O)cn1	2261257629	RFHUMKICNMMTLQ-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2[C@@H]1CO	2298165865	CYIIWQDMZBZYBP-HHKYUTTNSA-N	239.319	-0.685	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H]1[C@H]2CO)C1(B(O)O)CCC1	2298368225	UQTXOMXZKVEXGT-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@H]1O)[C@H]1C[C@H]1B(O)O	2298368376	AOSVZGKKIQHMKY-KZVJFYERSA-N	239.080	-0.731	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cn(C)cn1	2298371883	YPOUKIIPZKCAPK-BWZBUEFSSA-N	237.068	-0.540	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377459	RTVNCXGCNUMPGM-FOVGZEBNSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299808964	AADGRJHHIYXDSU-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	2302020808	SQSKGNCFLTVYEV-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CN1C[C@@H](CN2CC[C@](C)(B(O)O)C2)OC1=O	2303131339	ATECKCCZNFQGAU-WPRPVWTQSA-N	242.084	-0.624	50	10	BBGE	
COCC1(CN2CC[C@@](C)(B(O)O)C2)COC1	2303147692	PWMFPLYIZNDYIX-SNVBAGLBSA-N	243.112	-0.412	50	10	BBGE	
O=C(CCN1CC[C@H](B(O)O)C1)N1CCCC1	2303155729	BZOJVLSIXPEWAW-JTQLQIEISA-N	240.112	-0.452	50	10	BBGE	
CCc1cnn(-c2cc(B(O)O)c(F)cn2)c1	2303836584	OEBIZUCZUTUKQG-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
NNC(=O)CCS(=O)(=O)N1CCCCC1	26468149	SAZXQWXSILHJAE-UHFFFAOYSA-N	235.309	-0.818	50	10	BBGE	
C[C@H]1CCCC[C@@H]1NC(=O)COCC(=O)NN	58839015	YHYYECIVCJXGKH-IUCAKERBSA-N	243.307	-0.312	50	10	BBGE	
CC[C@@H](C(=O)NN)n1ccc([N+](=O)[O-])n1	82471654	QEOKFQOINIUWSI-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
Cc1nn(C)c(C)c1C(=O)NNC(N)=S	83590700	BZLNQDGWKHYYIX-UHFFFAOYSA-N	227.293	-0.485	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cc(C(=O)NN)no1	125438255	YRRQHWMQHMPZHQ-LURJTMIESA-N	228.252	-0.909	50	10	BBGE	
COCCN(CCO)C(=O)CBr	135291198	HTLHADFPJQEZLD-UHFFFAOYSA-N	240.097	-0.151	50	10	BBGE	
O[C@@H](CCl)CN1CCn2cnnc2C1	158021762	CZJXDXCCKZALFI-ZETCQYMHSA-N	216.672	-0.307	50	10	BBGE	
Cc1cc(NNC(=O)CN(C)C)ncn1	172280778	BWHZSDLPQLGCLB-UHFFFAOYSA-N	209.253	-0.210	50	10	BBGE	
CCNC(=O)Nc1cccc(B(O)O)c1	197011896	AYCPZKQVIWWSMF-UHFFFAOYSA-N	208.026	-0.492	50	10	BBGE	
COCOC(C)(C)c1ccc(B(O)O)cn1	202177595	LDKMOXZWBULVKT-UHFFFAOYSA-N	225.053	-0.383	50	10	BBGE	
CCOCCCOc1cncc(B(O)O)c1	203523584	HBMRBOHCYGAOMT-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CC(=O)Nc1cccc(NC(C)=O)c1B(O)O	204730090	NEIZFCSGNWAGQP-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)C(C)C	211884628	OBSAKQFUQJNWLF-SECBINFHSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](CN(CCCO)C1CCC1)C(=O)NN	228568439	NMWBGRLPGXXRJF-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CS(=O)(=O)CCN1C[C@@H](O)CCl	228824859	BLXJUEBRCPGZRP-YUMQZZPRSA-N	241.740	-0.295	50	10	BBGE	
Cc1cc(O)n2ncc(C(=O)NN)c2n1	229019096	FPUGITYPYHXLKU-UHFFFAOYSA-N	207.193	-0.653	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247329	WLYIHCVOKFCMEL-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)n1ccc2ccc(B(O)O)cc21	238081714	RPIYASHHSYOGEE-UHFFFAOYSA-N	203.006	-0.019	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	304479355	BPNSWODONWDFLQ-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O[C@H]1[C@@H]2O[C@@H]2[C@@H](Br)[C@@H]2O[C@@H]12	306315511	PVJIBJBAXAOCNY-FUHDGFEASA-N	207.023	-0.341	50	10	BBGE	
OB(O)c1cc(CCl)c2[nH]cnc2c1	306882479	NLCYDPKINCAQTK-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
Nc1ccc(N)c2c(B(O)O)csc12	307294342	GHHCNBDLBCHCBE-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COCCO[C@H]1CNNC(=O)[C@H]1Cl	308130596	ILNFADJRVJRCNY-WDSKDSINSA-N	208.645	-0.740	50	10	BBGE	
CSCC(=O)NNC(=O)CCC=O	308201732	YYRNEVGIVHZXSW-UHFFFAOYSA-N	204.251	-0.524	50	10	BBGE	
N[C@H](C/C(C=O)=C/C=C(\O)C(=O)O)C(=O)O	309449631	OAPFPZKGGMKELA-NRTIEERQSA-N	229.188	-0.560	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(CCCCC(=O)NN)C1	310104249	CKBNYUDHIWXFFZ-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(CO)C1	381372662	MZUJTRQZIZQRQB-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
CNC(=O)CC1CN(CC(C)(C)C(=O)NN)C1	382176100	AEVOMSQUKWALTD-UHFFFAOYSA-N	242.323	-0.930	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)[C@H]1C	385623483	HNWFAHYHZWVNGI-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
CN(CCC(=O)NN)C1C[C@@H]2CC[C@H](C1)N2C	394164985	WJLFWAMWRYPTGB-ZACCUICWSA-N	240.351	-0.077	50	10	BBGE	
CC(C)(CCn1ccncc1=O)C(=O)NN	395732276	XRIUMTBJNKOGOM-UHFFFAOYSA-N	224.264	-0.351	50	10	BBGE	
O=Cc1sc2cccc(CO)c2c1B(O)O	396341828	UGTSJHUHLHAFPB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CSSCCNC(=O)c1nn[nH]n1	397800647	LKTPIQMURQIQKG-UHFFFAOYSA-N	219.295	-0.059	50	10	BBGE	
C[C@H](c1ncon1)N1CC(=O)OC(=O)C1	397968604	ZAYWXZIEOMCIMT-RXMQYKEDSA-N	211.177	-0.484	50	10	BBGE	
Cn1nnc(CNC(=O)CCBr)n1	398098961	WBYHQGRXCMWNCA-UHFFFAOYSA-N	248.084	-0.389	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccns1	404478287	UMLOAYUGZXYWMR-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
C[C@]1(C(=O)Nc2ccnc(B(O)O)c2)C[C@H]1F	404973721	UQACIMLOCPIFMI-XCBNKYQSSA-N	238.027	-0.552	50	10	BBGE	
CCC[S@](=O)NCc1cccc(B(O)O)c1	405045288	RNJYNMBUMOSCAB-INIZCTEOSA-N	241.121	-0.470	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1	584991996	HRXOHBOWJZEZPD-NSHDSACASA-N	233.076	-0.009	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(B(O)O)c1	690070361	ARTLMWXMSYXBOP-GHMZBOCLSA-N	249.075	-0.352	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690156025	PVTVSMYLTALISY-HTRCEHHLSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]12CCCN(CC1)C2	691490477	IDIIMFKICXQHQK-CMPLNLGQSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2[C@H](C1)C2(F)F	693393961	DBTMBZXVPAXTRA-WHFBIAKZSA-N	219.191	-0.864	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	700655494	XOLMTRFVMYFRJZ-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCCC2(F)F)n1	703707563	LJHLZEUYUVBWHF-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@H]1CN(CC(=O)NN)C[C@@H]21	707994357	YCRCDNAHVPPESN-RCWTZXSCSA-N	238.335	-0.752	50	10	BBGE	
N#CC1(O)CCN(Cc2nnc(N)s2)CC1	709282789	OSBYGFJUNSOGKW-UHFFFAOYSA-N	239.304	-0.029	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1B(O)O	709680538	WRLFKOGHEZGROD-KWQFWETISA-N	249.075	-0.352	50	10	BBGE	
COCCN(CCCl)CCn1cnnn1	712593548	ZHWYBEQMCWABJP-UHFFFAOYSA-N	233.703	-0.140	50	10	BBGE	
C#CC[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717769337	FUCONWBGJQUKHB-VGMNWLOBSA-N	223.228	-0.713	50	10	BBGE	
CCOC(=O)/C(C#N)=C/NCc1cnn(C)n1	804602220	ZYDXAJDLMSPYOS-VMPITWQZSA-N	235.247	-0.125	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)C1=COCC1	817214639	CFVMRONDVHMKSW-MRVPVSSYSA-N	226.232	-0.383	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(C)C1=O	823918312	UVQGOJKPFUYGIL-BDAKNGLRSA-N	243.307	-0.801	50	10	BBGE	
CSCCC(=O)NNC(=O)c1cn(C)nn1	855183971	LHAZJTAAGWSMET-UHFFFAOYSA-N	243.292	-0.671	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNc1nnc(C)n1C	856055603	PTXVKQVDAJFAAJ-SNVBAGLBSA-N	241.295	-0.025	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C1(C(N)=O)CC1	862504520	FYWBSJZKKQCJOV-UHFFFAOYSA-N	234.259	-0.479	50	10	BBGE	
NOCCN1C[C@@H](Cl)C(=O)NC1=O	953078864	GTPMQASJHHESDJ-SCSAIBSYSA-N	207.617	-0.964	50	10	BBGE	
CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)CO	1194781848	IYXMCGDUCSLHIT-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
O=C1CC[C@@H](CC(=O)NNC(=O)C2CC2)CN1	1290033613	JZVCLMRKWOJMTQ-ZETCQYMHSA-N	239.275	-0.540	50	10	BBGE	
O=C(C[C@H]1CCNC1=O)NNc1cccnn1	1334124712	AHTLSMSPGYLQSM-SSDOTTSWSA-N	235.247	-0.554	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@]1(O)CCOC1	1538846675	ZDNMLDGJNUPQSX-VIFPVBQESA-N	247.320	-0.959	50	10	BBGE	
Cn1ccc(NNC(=O)c2cccn(C)c2=O)n1	1611267537	KWTIHAQDFHVQHU-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc(CO)nc1	1640026352	QRDXSBLBIQNKDF-MRVPVSSYSA-N	239.275	-0.469	50	10	BBGE	
CSSCCNC(=O)[C@@H](O)[C@H](C)N	1881807476	KJXFJEFASGHSGL-WDSKDSINSA-N	224.351	-0.178	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2Cl)C(=O)CN1	1883552660	NSNBEDHAOGXCLR-WDSKDSINSA-N	202.641	-0.428	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@@H](O)C1(C)C	1885615397	AKGDVDYJBIQTBF-FSDSQADBSA-N	221.684	-0.044	50	10	BBGE	
C[C@H](CCCl)C(=O)N[C@@H]1CONC1=O	1885940004	ZEIKWFKYMVFOGK-PHDIDXHHSA-N	220.656	-0.202	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@H]1CCC(=O)NC1	1886156209	RNWWNYVWDLLTEJ-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
COCCNCCS(=O)(=O)CCCl	1886689110	NCHZVKOKBSJDRD-UHFFFAOYSA-N	229.729	-0.124	50	10	BBGE	
C[C@]1(CCO)CCN(CC(=O)NN)C1	1887605105	SGFUWRILFHGMFB-SECBINFHSA-N	201.270	-0.929	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CCO1	1889749888	HTBQYDZTRCGQQK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]1C(F)(F)F	1897139478	QAQNJZSKFXUELI-RITPCOANSA-N	236.986	-0.131	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CCl)n1	1897341752	VUQAMOLYGVATCV-ACZMJKKPSA-N	241.682	-0.091	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@]1(N)C[C@H]1C	1901377738	SCQAYIGWVURZOY-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
CC[C@H](O)C(=O)Nc1cccc(B(O)O)c1	1901403126	HBVSPIMEWMQOID-VIFPVBQESA-N	223.037	-0.924	50	10	BBGE	
CCOC(C)(C)C(=O)N1CC[C@H](B(O)O)C1	1902523098	WYHZDXULNZWSAV-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
COC[C@H](OCC1=CCCOC1)C(=O)NN	1905025529	JINPECDCQBMIMA-VIFPVBQESA-N	230.264	-0.645	50	10	BBGE	
C=C(CN1CC[C@@H](OC)[C@@](C)(OC)C1)B(O)O	1911048093	CQAFGKDQUFZPRT-MNOVXSKESA-N	243.112	-0.320	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1911475223	AFTRUGRUTGZHTD-LMLFDSFASA-N	241.335	-0.437	50	10	BBGE	
N#CC1=CCN(C(=O)c2nonc2N)CC1	1917110446	SXZWOGCKBUFZKW-UHFFFAOYSA-N	219.204	-0.052	50	10	BBGE	
CN(CCOCC(=O)NN)CC1(C)CC1	1928181185	KWQCOSMAIATEOG-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@]1(OC(F)(F)C(=O)NN)CCOC1	1928535465	XQMLAFYEAOIXDS-LURJTMIESA-N	210.180	-0.235	50	10	BBGE	
O=C(CCl)N1[C@H](CO)C[C@H]2OCC[C@@H]21	1928936503	HEFLAKOKKDRBAR-BIIVOSGPSA-N	219.668	-0.024	50	10	BBGE	
O=C(NNCCO)c1ccc(Cl)cn1	1929835926	ZTHSZUQTVMPFNQ-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
CCc1noc(C)c1C(=O)NNCCO	1929842347	SSEBINJKTKMJHS-UHFFFAOYSA-N	213.237	-0.228	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1930235982	UDYWEPSWTHJZQN-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
O=C(CBr)N1CC(OCCO)C1	1932100171	ZRGBNIBTQHAUSY-UHFFFAOYSA-N	238.081	-0.399	50	10	BBGE	
O=C1NC[C@@H]2CN(C(=O)CCl)CC[C@H]12	1935276167	IQWAUZOEBPKJOW-RQJHMYQMSA-N	216.668	-0.180	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCC[C@@H]1CO	1935945760	WKLLPSBGGYTRNN-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)C[C@@H]1CO	1938236648	LUELJLOMEFGAKB-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCN(C)[C@H]1CCN(CCCC(=O)NN)C1	1939074210	KNXQUNGRBVHBIX-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)CCN1CC(COC(F)(F)F)C1	1939537428	SRIGHAXSWBIWLD-UHFFFAOYSA-N	241.213	-0.165	50	10	BBGE	
CC1(O)CN(Cc2cncc(C(=O)NN)c2)C1	1940573501	GLBVVDATICMJLL-UHFFFAOYSA-N	236.275	-0.748	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941088405	QDLAJEGHFMUSHJ-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1943089260	KSRCHVGSHKCUKF-MXWKQRLJSA-N	241.335	-0.152	50	10	BBGE	
Cc1ncc(OCCOC2CC2)cc1B(O)O	1944011470	QAFNLOANYHTIPJ-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CN(C)[C@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945882485	ITXJPWZVUNBKEB-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCC2)CC[C@@H]1CO	1946676087	GMIBASIQUHAKNV-MRVPVSSYSA-N	241.291	-0.870	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NNCCO)O1	1955617258	LXTWLORSOLGZJA-JGVFFNPUSA-N	202.254	-0.443	50	10	BBGE	
CCN(CC)CCN(C)CCC(=O)NN	1961251670	SSOYBYVRAAAMCB-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CC[C@H]21	1976586819	VCONLOFRTANQET-JLIMGVALSA-N	227.308	-0.421	50	10	BBGE	
CN(C)NC(=O)NC[C@]1(F)C[C@@H](C(=O)O)C1	1976946860	GHEHDJYJZYMGGE-KZCWHLCOSA-N	233.243	-0.035	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C[C@@H](O)CCl)CC[C@@H]21	1981052994	CVSAXEGIBBESQS-YIZRAAEISA-N	247.726	-0.316	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)cn2)OC1	1981584038	VBPJWSJIZKRWKM-WCBMZHEXSA-N	224.069	-0.622	50	10	BBGE	
COC[C@@H]1CN(C(=O)C(=O)NN)CC1(C)C	1982497080	LMFHYOMCDUCIQM-ZETCQYMHSA-N	229.280	-0.893	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](F)[C@H](F)C1	1984130554	UXZFSZYRAGVBNC-OLQVQODUSA-N	243.204	-0.007	50	10	BBGE	
CC1(CCOc2ncncc2B(O)O)CC1	1984550936	SDBUAHPYOHPFEQ-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
CCC[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	1986908185	FYIKNRGASVYQDS-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](CN(C)CCC(=O)N(C)C)C(=O)NN	1987933734	ZKXKRZAOTNXTHT-QMMMGPOBSA-N	230.312	-0.978	50	10	BBGE	
CO[C@@H]1CN[C@@H](CNC(=O)/C=C/C(=O)Cl)C1	1991715424	UOSKJGIJMKBJBR-TZIBCRCASA-N	246.694	-0.199	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@@H]2C[C@H]2CO1)B(O)O	1992153045	LCEGCMBYKJPVEM-DCAQKATOSA-N	225.097	-0.089	50	10	BBGE	
C[C@H]1CN(Cc2c(C(=O)NN)cnn2C)[C@@H]1C	2003506424	TZOUGBWXIWSRPB-JGVFFNPUSA-N	237.307	-0.136	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCCNC1=O	2004247987	QVCMQLSJRAHGOG-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H](CCF)C1	2004919172	VMRLSOWBIUYOCM-QMMMGPOBSA-N	239.059	-0.658	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H](C)C(F)(F)F)n1	2004931607	LWTDVXYDLSVYJL-SCSAIBSYSA-N	249.985	-0.206	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2005804597	CBRYRBRQELLWOC-UCROKIRRSA-N	245.229	-0.522	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CCCN2C)C1	2013603340	WVKJCOKATOFLCJ-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](COC)C(=O)N[C@H]1CCC=C1B(O)O	2020055676	DEOALGCFEDSBEB-WPRPVWTQSA-N	241.096	-0.124	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1	2022197005	WIFHDSWRXSEWFP-SECBINFHSA-N	233.076	-0.082	50	10	BBGE	
CN(C)C[C@H]1CCN(c2ccncc2B(O)O)C1	2052493912	ZHHOBZSLBMDDOK-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])c(B(O)O)cc1Cl	2060136718	GDVJRUWYZPQMEZ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COc1c(B(O)O)ccc(C#N)c1[N+](=O)[O-]	2060290336	SWUNCAGCFQCAIK-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CCO[C@@H]2C1	2065201593	FTZPZCHQTDNVRG-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cnccc1N1[C@H]2CCC[C@@H]1COC2	2077831726	ZSDVWYQAXQKORV-AOOOYVTPSA-N	248.091	-0.481	50	10	BBGE	
C[C@@H](CN1C[C@H](C)C[C@H](O)[C@H]1C)C(=O)NN	2211252338	YEJWQPVCCOIGKI-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
OB(O)c1ccc(NCc2cnc[nH]2)nc1	2212600323	BSZAUFAMAMKFDN-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212605425	DONFPKKDFMCKAW-DIYOJNKTSA-N	218.065	-0.028	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COC[C@H]3C2)CCC1	2216527741	GZLAIJBEYHVDQQ-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
NC[C@H](Oc1ncccc1B(O)O)C1CCC1	2217166359	MKPZHCQLWWZQQX-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(NCC2(O)CCC2)cc1B(O)O	2217179037	FLIBKWLVKLTNBX-UHFFFAOYSA-N	236.080	-0.603	50	10	BBGE	
Cc1cnc(N[C@H]2CN[C@@H](C)C2)cc1B(O)O	2217183853	LFWCAFMVBTUPIP-DTWKUNHWSA-N	235.096	-0.768	50	10	BBGE	
OB(O)c1ccnc(N2CC(CCF)C2)c1F	2217184296	OEEJIDIFZBFPLQ-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Nc1cc(B(O)O)ccn1	2217199584	NMTSMTQLVFXWOO-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H](O)C[C@H]1C2	2223625976	GHMNHVXJJIKGBS-BBBLOLIVSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc1	2223627880	BSOZVGWFEVGLEU-JGPRNRPPSA-N	248.091	-0.577	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1Nc1ccc(B(O)O)cn1	2223641306	SLQNBVWONXDGDE-JQWIXIFHSA-N	249.123	-0.440	50	10	BBGE	
CCN1CC[C@H](Nc2cc(B(O)O)c(C)cn2)C1	2223643811	ARFSHJMYDHRSSY-JTQLQIEISA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)nc1	2223668617	ZEZLHEOCEHLJHI-URLYPYJESA-N	248.091	-0.747	50	10	BBGE	
N#CCONS(=O)(=O)N1CC(Cl)C1	2241330806	DXNWRSKLRLRXMQ-UHFFFAOYSA-N	225.657	-0.801	50	10	BBGE	
O=C(C#CB(O)O)NCC1(Cl)CCC1	2241478547	HNLAHQXRYWKATC-UHFFFAOYSA-N	215.445	-0.721	50	10	BBGE	
OB(O)C1CCN(C[C@@H](O)CF)CC1	2241742147	WDEMVOZYTRYTEJ-QMMMGPOBSA-N	205.038	-0.744	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=N[C@H]1C[C@H](Br)C1	2242387759	MTJHVMJHPRINSF-URHBZAFASA-N	246.112	-0.013	50	10	BBGE	
OB(O)c1cnc(SC[C@H]2CCCN2)nc1	2242852215	LYYAPIDWAJWIOC-MRVPVSSYSA-N	239.109	-1.000	50	10	BBGE	
CN1CC2(CCN(CCC(=O)NN)CC2)C1	2242872202	YUWQXBDMDOIHCC-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2243349816	QXEFPEVZYBGBBW-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)o1	2243356282	FEDPKKGDPACHNG-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
CC(F)(F)[C@H]1CCCN1C(=O)C#CB(O)O	2243356725	MDGFSHRBRKMLRZ-SSDOTTSWSA-N	231.007	-0.352	50	10	BBGE	
C[C@@H](NC(=O)c1sccc1B(O)O)C1CC1	2243361709	FXQDZNZDEIIVGM-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
C=C(CO)CCNC(=O)C1(B(O)O)CCC1	2243364037	PYSWKBUCWNVHOS-UHFFFAOYSA-N	227.069	-0.562	50	10	BBGE	
CCCCNC(=O)c1cc(B(O)O)cn1C	2243367561	VDHZQGXZMZWYPG-UHFFFAOYSA-N	224.069	-0.765	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1sccc1B(O)O	2243375433	SUVNTOPIVPKHBT-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243391299	IXAXFHDBGDKGLT-XSPKLOCKSA-N	226.085	-0.813	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](CCO)C1	2243391765	OASPFUKLFHSOCF-HRDYMLBCSA-N	227.069	-0.920	50	10	BBGE	
CCOC(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397011	UGUWYADUSCPZOD-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@H]2C[C@@H]21	2243397810	JOHBQXRKRJBRQD-FSPLSTOPSA-N	238.077	-0.943	50	10	BBGE	
CC(C)n1nccc1NC(=O)C#CB(O)O	2243400431	AUIQOKDKJFFTMA-UHFFFAOYSA-N	221.025	-0.582	50	10	BBGE	
CCCN(CCO)C(=O)C1CC(B(O)O)C1	2243404092	JCJHTRJKPNMHRJ-UHFFFAOYSA-N	229.085	-0.530	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2243410399	AXZNXSLWTADHIV-RQJHMYQMSA-N	223.037	-0.612	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CO1	2243411247	QLTDJOQGSHQZSD-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2243416867	NWSMLVGWAHCPKC-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)[C@H](O)CC1	2243779840	PHGSPGOYLTVUAP-XLNBVVSQSA-N	247.678	-0.348	50	10	BBGE	
NNC(=O)COCCOCc1cccnc1	2246329716	WCIKOGIWTPWZSD-UHFFFAOYSA-N	225.248	-0.395	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ncccc1B(O)O	2246771441	IEBYCSNDFOGCKJ-ZETCQYMHSA-N	235.052	-0.613	50	10	BBGE	
CC(C)(C)CNC(=O)c1ccncc1B(O)O	2247722357	LTRSMRNEMWCZDA-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
O=C(NCC1[C@H]2COC[C@H]12)C1(B(O)O)CCC1	2247732996	KKZSHHFODRWUIP-RKDXNWHRSA-N	239.080	-0.608	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1	2247737906	LOIWNQVQFQERBK-LMLFDSFASA-N	233.076	-0.494	50	10	BBGE	
C#CCCCCNC(=O)c1cc(B(O)O)c[nH]1	2247743581	GDWPERMLOWASMF-UHFFFAOYSA-N	234.064	-0.772	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2247743648	HAEHJWDFDQTOBJ-MRVPVSSYSA-N	235.048	-0.651	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247748193	ZFUGBJNEVPBXPP-IONNQARKSA-N	236.080	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@H]12)C1(B(O)O)CC1	2247750269	GVYJEOPKZQEOTD-RYPBNFRJSA-N	239.080	-0.874	50	10	BBGE	
O=C(NOCCF)c1ccc(B(O)O)cc1F	2247759829	XGOKDNHZEHAXOM-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
O=C(Nc1ncccn1)c1sccc1B(O)O	2247771927	ZHKGYEAISZAIQF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@H](C)[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2247781741	NPNURVOJSUKWEC-NKWVEPMBSA-N	239.084	-0.746	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)n[nH]2)CCCC1	2247783995	NWLVENZTYLTUDY-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCO1	2247787505	PZSNTNINYMTWLN-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247791859	PGEDAKPTCKEJHC-WOOKNIGNSA-N	241.096	-0.389	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCNCC1	2247792572	UDWXVBXSYSBHNH-KYZUINATSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]2(C1)C[C@@H](O)C2	2247803453	BFLDTNATIQDHFK-REIXXSIJSA-N	239.080	-0.777	50	10	BBGE	
N#CC1(NC(=O)C#CB(O)O)CCCCCC1	2247849646	COBSMWIGYANPFB-UHFFFAOYSA-N	234.064	-0.265	50	10	BBGE	
CCOC(CNC(=O)C1(B(O)O)CC1)OCC	2247854231	YZMVTQPWFTZODF-UHFFFAOYSA-N	245.084	-0.491	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCCCO1	2247866857	UEUXQDDYSDYHQL-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ccoc1B(O)O	2247868056	PRVCJBPIBPFNCE-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
CCCN(C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894356	FWUUZKNLTUPQTH-AOOOYVTPSA-N	242.128	-0.303	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1C	2247896640	IJCOMFXKWFJJNS-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
C[C@H](N)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902307	DZHDBTPRNKARLK-AATLWQCWSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574824	CQZVBTKMSLCNLD-XAMCCFCMSA-N	241.052	-0.781	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1cocc1B(O)O	2249408794	HRNBZOVHMMTCGE-RCOVLWMOSA-N	241.027	-0.611	50	10	BBGE	
C#CCCCN(C)C(=O)c1cc(B(O)O)co1	2249440750	QKYWLJFZODXKIT-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCN1	2249946053	QCZYLTYRJVAAMG-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1OCC[C@@H]1CC(=O)NCCC#CB(O)O	2250005694	AZZNEJCGBXQRAT-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
C#CCCN(C(=O)c1coc(B(O)O)c1)C1CC1	2255445525	VQDNTSJMLQHYSC-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1occc1B(O)O	2255487613	RVVRZXIOPGIYTE-WPRPVWTQSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nn1cccc1)c1ncc(B(O)O)cc1F	2255488580	GWXPRRGCHXQYLM-UHFFFAOYSA-N	249.010	-0.914	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671175	NOPPZCFNENCSQP-NRPADANISA-N	248.091	-0.387	50	10	BBGE	
CCN(C(=O)c1cncc(B(O)O)c1)C1CCC1	2255715538	HIERZFYJOYNODV-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
CC1=CCN(C(=O)c2ccncc2B(O)O)CC1	2255728394	FTCJHWZQLFJHNX-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C#CCCN(C(=O)c1coc(B(O)O)c1)C(C)C	2255732968	DHFZSGSXSLPYAV-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1C	2255735278	QHWUUHSORRJNFA-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
C=C=CCCNC(=O)c1ncc(B(O)O)cc1C	2257495496	ZGGFKKFTHPGPFY-UHFFFAOYSA-N	246.075	-0.469	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cc(C2CC2)on1	2258959545	SSDOALJIPSCFNX-UHFFFAOYSA-N	248.047	-0.313	50	10	BBGE	
CS(=O)(=O)C(C#N)=CN=c1cncc[nH]1	2297564221	CJYHZWCJBJAKAD-UHFFFAOYSA-N	224.245	-0.280	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](NC(=O)C1(B(O)O)CC1)C2	2298368083	LGOJAOROKNYJHN-XKSSXDPKSA-N	239.080	-0.323	50	10	BBGE	
CC1(C)OCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375503	MJDQCPCVOVTUBK-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1CCOCC(=O)NN	2300042289	OLBHEMLDROTMDE-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CON(c1ccc(C=O)c(B(O)O)c1)C(C)C	2301450999	LZCQEVKSGOYDSK-UHFFFAOYSA-N	237.064	-0.045	50	10	BBGE	
CC1(C)CO[C@H](CN2CC[C@H](B(O)O)C2)CO1	2303156122	UBPGWUQSCVOPRQ-VHSXEESVSA-N	243.112	-0.271	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H]1COC[C@H]1O)C(=O)NN	2303413396	JKCUSIBXTRFVSO-FXPVBKGRSA-N	245.323	-0.916	50	10	BBGE	
OC[C@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303836212	JJLHIMZUZPBKME-MUWHJKNJSA-N	240.043	-0.917	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303861175	NENPLLGKLMHJOU-IMTBSYHQSA-N	241.027	-0.686	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ncccn2)C1	2307629635	ZVBZUDYDTRLLMA-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1cncc(B(O)O)c1	2317064504	NLDBGBSTSRNMPE-HTQZYQBOSA-N	248.091	-0.464	50	10	BBGE	
NNC(=O)CN1CCOc2ccc(N)cc21	19757480	PCAJRXCFMKJFNR-UHFFFAOYSA-N	222.248	-0.543	50	10	BBGE	
CO[C@H](C)[C@@H](NC(=O)CCl)C(=O)O	32211001	XCSSIGLYVOZJJK-INEUFUBQSA-N	209.629	-0.171	50	10	BBGE	
COCC(=O)N1CCN(C(=O)CCCl)CC1	37831950	XITPFFDQUYMHNI-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
CN1C(=O)[C@H]2C=C(C#N)C(=O)N[C@H]2N(C)C1=O	82300246	NTCMTPTURNFALL-BQBZGAKWSA-N	234.215	-0.968	50	10	BBGE	
CCO[C@@H]1CCCN(CC(=O)NN)C1	82470905	XFDJBEIGXXLKPU-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
NC(=S)NNC(=O)c1csnn1	83592492	MMXAYUWFEUOPKE-UHFFFAOYSA-N	203.252	-0.984	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NC(CO)CO	86550949	VCSYRUYMQSLXAP-LURJTMIESA-N	245.728	-0.866	50	10	BBGE	
CCOCc1cc(B(O)O)ccc1OC	203174179	SZABJPNSRCRLJA-UHFFFAOYSA-N	210.038	-0.089	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](CB(O)O)C1	212159743	AGSGJEDTJOWTFX-ZETCQYMHSA-N	221.087	-0.869	50	10	BBGE	
Nc1ccn([C@@H]2C[C@H](Cl)[C@H](CO)O2)c(=O)n1	219596173	PRVPTKWTZHAFNZ-HAFWLYHUSA-N	245.666	-0.287	50	10	BBGE	
C[C@@H](CN1C[C@H](C)N(C)[C@H](C)C1)C(=O)NN	228858486	RAMSHAPZAMSJDN-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(O)C1	235412779	DRDRRZPXVOPHCL-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CCN(CC)c1cc(F)c(B(O)O)cn1	238262322	VPGFWXVOXVVYKV-UHFFFAOYSA-N	212.033	-0.253	50	10	BBGE	
Cc1ccn(-c2ccc(B(O)O)cn2)n1	238537803	AZYZEBCYQSOTFN-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C(=O)NN)C[C@H]1C	251755005	JXLMRJYIEUESHJ-BWZBUEFSSA-N	213.281	-0.083	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2[nH]c(=O)oc2c1	259036293	SFJXDKQYWHXIHP-SSDOTTSWSA-N	222.204	-0.889	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@](C)(C(N)=O)C1	300534064	UGSMMJZQVUMJLD-KWQFWETISA-N	242.323	-0.802	50	10	BBGE	
CC[C@@H](O)CN=c1[nH]c(CCCl)nc(=N)[nH]1	381010490	SEDDRTDDVRXIOU-ZCFIWIBFSA-N	245.714	-0.330	50	10	BBGE	
N#Cc1cnn(Cc2ncccc2C(=O)NN)c1	385663115	CNODWNVNKDPPNP-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
COC(=O)NNC(=O)CC[S@](C)=O	388626978	JKSSFAAQZNAQIY-ZDUSSCGKSA-N	208.239	-0.858	50	10	BBGE	
NNC(=O)c1coc(CN2CCCOCC2)n1	395283931	BAMGLKHGQXNKJS-UHFFFAOYSA-N	240.263	-0.500	50	10	BBGE	
O=C(CCCl)c1cccc(O)c1B(O)O	396028048	ZNVOCJDVDRQRHR-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
CO[C@@]1(CO)CCCN(C[C@H](C)C(=O)NN)C1	402834274	IHAMFBMXYLURDB-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CNC(=O)Nc1cc(C)cc(B(O)O)c1	405144635	LJWKAZRFLCOEIF-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)CC[C@H]1C	688752327	CYXMUUZBIONZOK-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cncc(N)n2)CC1	692179511	XBXDOEZZJPRNGS-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)OCCl)C1=O	692833944	ROIVSEMRKJCSGC-SCSAIBSYSA-N	220.612	-0.334	50	10	BBGE	
CCN1CC[C@@H](N(CC)[C@H](C)C(=O)NN)C1	694928104	URPOOQYAUAYPJW-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)c1occc1Cn1ccnn1	699002112	JKYLHYNDPJQJNB-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CN(C)C(=O)C(=O)NN)[C@H]1C	701347474	HSDDZTJDDGJJPL-RBXMUDONSA-N	243.307	-0.506	50	10	BBGE	
CN(C)C1CC(N2CC(=O)OC(=O)C2)C1	701469922	HSQXITLCVLCTBX-UHFFFAOYSA-N	212.249	-0.536	50	10	BBGE	
CCn1nc(C(C)C)cc1C(=O)NCB(O)O	702017373	MNMBMQZHSAPBCN-UHFFFAOYSA-N	239.084	-0.232	50	10	BBGE	
O=C1CC[C@@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)N1	703435985	KDGHYQSSJCYVAR-FXQIFTODSA-N	238.243	-0.819	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703798148	ZKALAACNJXEZIR-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H]1CCN1Cc1ccccc1B(O)O	706811736	IWGPETBHAGJBBB-SECBINFHSA-N	205.066	-0.039	50	10	BBGE	
C[C@H]1[C@H](C)CN1C[C@@H]1CC[C@H](C(=O)NN)O1	706917343	WXYLEUCMDLFWOS-XFWSIPNHSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)c1csc(CN2CCNC2=O)c1	711331385	HMXAKUSKZZIHMW-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893712	YURGDEGJGVENBS-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(CO)(CO)C1	721401059	YSPDSHHHKVXZME-ZETCQYMHSA-N	221.684	-0.326	50	10	BBGE	
COC1CN(C2=C(C#N)[C@@H](N)[N]S2)C1	725578707	JBETZSQVKHGBMY-ZETCQYMHSA-N	211.270	-0.397	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1CCCS1	768256464	QDEALGVCTUQYRK-ZCFIWIBFSA-N	232.305	-0.200	50	10	BBGE	
C[C@H]1COC(=O)C1=NNC(=O)[C@H]1COCCO1	794916114	XREDFNFDZQESIU-NKWVEPMBSA-N	242.231	-0.933	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)[C@H]1CCCO1	817214954	UQYHBLCTWONPEW-JGVFFNPUSA-N	230.264	-0.262	50	10	BBGE	
CC(C)=CC(=O)NNC(=O)c1cn(C)nn1	855184095	PTSLDQYCJICGLF-UHFFFAOYSA-N	223.236	-0.458	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)c1cn(C)nn1	855184309	YGLIRGJGSDPLCA-UHFFFAOYSA-N	235.247	-0.765	50	10	BBGE	
Cn1nnc(C(=O)NN)c1C(F)(F)F	885953352	MMJLYMKTMUWRJU-UHFFFAOYSA-N	209.131	-0.563	50	10	BBGE	
CC(=NNC(=O)CN(C)C)c1ccnnc1	901183503	VPZUXPOPOQTVMN-UHFFFAOYSA-N	221.264	-0.122	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCCCCO	1142535287	RERYDIUTGJNUSQ-UHFFFAOYSA-N	217.269	-0.159	50	10	BBGE	
CC(=O)N(C)C1CN(S(=O)(=O)CCl)C1	1260931312	FRRBNTVOQYJXRD-UHFFFAOYSA-N	240.712	-0.325	50	10	BBGE	
CC1(C)C(=O)NC[C@H]1NS(=O)(=O)CCl	1260939496	ZLCBWAGKJWFVPO-RXMQYKEDSA-N	240.712	-0.373	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1ccc[nH]1	1290262510	ZFHCUOQASUWTDF-LTMVXPGCSA-N	223.232	-0.287	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCN1CC[C@H](F)C1	1292258007	KVAOFHVAUVBEFB-QMMMGPOBSA-N	246.286	-0.277	50	10	BBGE	
CS(=O)(=O)[C@H]1CCN(C(=O)CCl)C1	1882231607	MMSHPPWMOIUYAD-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1C[C@@H]1CO	1883627227	RRKDVKCBPXJQGZ-RITPCOANSA-N	203.625	-0.195	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)CCl)C2)N1	1884974814	DCEALOSHONNDRJ-QMMMGPOBSA-N	217.656	-0.491	50	10	BBGE	
CC(C)(O)CN1CC[C@@](C)(B(O)O)C1	1891586407	SMSFIYSURHQMPN-SECBINFHSA-N	201.075	-0.304	50	10	BBGE	
CC(C)S(=O)(=O)N1CC[C@H](B(O)O)C1	1891606832	JRZFUAAOKITREF-ZETCQYMHSA-N	221.087	-0.727	50	10	BBGE	
N[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1893454714	ZKWYVLJTYCWTAT-CWKFCGSDSA-N	218.684	-0.466	50	10	BBGE	
O=C(N[C@]1(CO)CCNC1)[C@@H]1C[C@@H]1Cl	1893471011	YQGGUGLZBHACOW-BKPPORCPSA-N	218.684	-0.546	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)N1CC(C#N)C1	1894570128	DHPXOGSVDGRPMB-ZCFIWIBFSA-N	237.712	-0.097	50	10	BBGE	
Cc1ncc(F)c(=O)n1[C@@H](C)CC(=O)NN	1898696950	NJUUHCCWXNQMSN-YFKPBYRVSA-N	228.227	-0.368	50	10	BBGE	
CC(C)(CCN1CC(F)(C#N)C1)C(=O)NN	1901251283	NFKVXSRGMOJRLK-UHFFFAOYSA-N	228.271	-0.060	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CC1CNC1	1901376713	DZSMOJLPQSRAAZ-UHFFFAOYSA-N	249.336	-0.703	50	10	BBGE	
Cn1nccc1CCN1CC[C@H](B(O)O)C1	1902542126	VSOOSVXLOVWYLG-VIFPVBQESA-N	223.085	-0.489	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)CC(=O)NN	1906908690	QCCJIQKBHFZLRW-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@H]1C[C@H]1C(=O)NN	1913438500	DRNMSDFBNXTMMK-HTQZYQBOSA-N	249.336	-0.718	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	1914253053	CDHWHEHSQXLTLQ-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OC)[C@H]1C	1914334415	HACSOGXYMKFCJF-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
NC(=O)CO[C@H]1CCCN(C(=O)CCl)C1	1928133004	PAVCQQCHYPESHX-ZETCQYMHSA-N	234.683	-0.282	50	10	BBGE	
Cc1ccc(O)cc1C(=O)NNCCO	1929836137	DHPGODOOZRRGQU-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
Cn1cc(C=CC(=O)NNCCO)cn1	1929841027	AKJQMMSHQAKTEF-UHFFFAOYSA-N	210.237	-0.954	50	10	BBGE	
CCSC1CN([C@@H](COC)C(=O)NN)C1	1933225254	DYCPAYHCJHNBMW-QMMMGPOBSA-N	233.337	-0.571	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1COCCO1	1935544861	AXSZKWLIEDJCPI-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CC1(C)CCO[C@@H]1Cn1cc(B(O)O)cn1	1939296079	OOVSWBBKPYBMFU-SECBINFHSA-N	224.069	-0.622	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942114759	CZPAWGKYOLEIKY-NHCYSSNCSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CCN3CCC[C@H]3C2)CC1	1945894918	WYFHZHXMEMHEPN-JTQLQIEISA-N	238.335	-0.464	50	10	BBGE	
COC1(CF)CN(CCC(=O)NN)C1	1956669674	VCLMHOZBKGYTMD-UHFFFAOYSA-N	205.233	-0.963	50	10	BBGE	
C=CCSc1nc(C)ncc1B(O)O	1956966040	ONMSGBNCKQRQFC-UHFFFAOYSA-N	210.067	-0.257	50	10	BBGE	
C[C@@]1(C(F)F)CCN(CC(=O)NN)C1	1957254150	SWIFUZHBTBHCQZ-MRVPVSSYSA-N	207.224	-0.047	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)CCCCl	1958191042	NLALYSDTWVJVLM-VIFPVBQESA-N	239.699	-0.509	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@@H]2C[C@@H]2C1	1958455775	YYERXVQGSYIHDT-KYXWUPHJSA-N	209.293	-0.046	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1(C(N)=O)CC1	1958551345	FALSBFPXRKSYAC-SCSAIBSYSA-N	233.655	-0.543	50	10	BBGE	
C[S@@](=O)(=NCC(=O)NN)N1CCCCC1	1960617893	LLNFZVRSQIEZFF-OAHLLOKOSA-N	234.325	-0.525	50	10	BBGE	
O=C(NC1CC1)C1CN(C[C@@H](O)CCl)C1	1960782940	BRAXESHAAICQRA-VIFPVBQESA-N	232.711	-0.204	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CC2)n1	1961717771	FZPAZMRSIYHVAJ-UHFFFAOYSA-N	207.042	-0.937	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1984543676	VWXYUUOVTLMLPG-RKDXNWHRSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccsc1C(=O)NN	1985743549	PFIDAOABENIUNG-XPUUQOCRSA-N	241.316	-0.083	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H]2CF)CC1	1985770057	QHSHRFTWRZPOGF-QMMMGPOBSA-N	231.271	-0.573	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@@H]1C[C@@H]1C(=O)NN	1989120421	YYNLNQOEPYDEQF-CIUDSAMLSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1990041899	XWQMCHLZQYOCJA-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1NC(=O)/C=C/C(=O)Cl	1991704776	WSGXSPUZPQXNQC-VEUOYOJTSA-N	246.650	-0.933	50	10	BBGE	
COC[C@H](O[C@H]1CCOC[C@@H]1F)C(=O)NN	1991732695	VTWVCDCJLACDBW-FXQIFTODSA-N	236.243	-0.865	50	10	BBGE	
C=C(CN1CCO[C@@H]2COCC[C@@H]21)B(O)O	1992160531	XSFZSQKZRBHARU-VHSXEESVSA-N	227.069	-0.956	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)cc1	1992835339	BDEWBWHHNUGDIE-UHFFFAOYSA-N	223.037	-0.610	50	10	BBGE	
CNC(=O)N1CCc2sc(B(O)O)cc2C1	1995022816	CWZSFHLINNJLFR-UHFFFAOYSA-N	240.093	-0.875	50	10	BBGE	
COCCOC[C@H]1CCCN1[C@H](C)C(=O)NN	1996848113	FILYEOJIHXXDAP-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COC1CC2(C1)CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1998925750	BCPYOPLELHOGCT-WPRPVWTQSA-N	239.319	-0.277	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](OCCO)C1	2001030665	DSGGZUIDHZTXOZ-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1CCOCC(=O)NN	2003753001	GXQSKTOHRWDYMQ-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)CC12CC2)C(=O)NN	2003754408	OAEYXTWZFYMHEI-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CN(C[C@@H]1CCCO1)c1ccc(B(O)O)cn1	2004917738	DUXKOFSCDPRPJG-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	2006028670	CEVOTVQYIYQUOW-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C)NC(=O)C12CC2	2014890559	YNFNJILFLZLZCV-SFYZADRCSA-N	240.307	-0.892	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCCC(F)(F)[C@H]2C1	2015844317	MOWIHHCQUSTOGA-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)C)C1COC1	2018189259	XOKSYLSGLBAJGF-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]12COC[C@H]1C2	2019208329	GFGZXDGDXZQWFZ-KOLCDFICSA-N	241.291	-0.878	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCOC[C@H]2F)nc1	2020497384	UUBVZZQUMAKMSA-RKDXNWHRSA-N	241.027	-0.733	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cccc(B(O)O)c1	2022196650	PFSUYYXNWQEBGW-VIFPVBQESA-N	233.076	-0.082	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncncc3B(O)O)C[C@@H]21	2025801320	QPUSNSIJDFZWGD-IWSPIJDZSA-N	233.080	-0.751	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(CC(C)C)C2)n1	2052620247	QJJPZFVXQRXKFR-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
N#Cc1ccc(Cl)c(C=O)c1B(O)O	2060094137	MQBPRUABRALPLI-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCOc1ccc(F)c(B(O)O)c1C#N	2060175222	ZVXWPQMXXHSUTG-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C1CN(Cc2cccc3ncnn23)CC(=O)O1	2064273094	YIVYPGQZAAWZKG-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
Cc1ccnn(Cc2nc(C(=O)NN)co2)c1=O	2084712419	KLLGNOOUFRAIAU-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
OB(O)c1cc(Br)cnc1S	2208978801	VVBMSXQKEMKWBJ-UHFFFAOYSA-N	233.883	-0.187	50	10	BBGE	
OB(O)c1csnc1Cn1ccnc1	2209703120	PDEJWQWIEGRCID-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@H]32)s1	2211078622	OBIAIFOZZBBRMX-IONNQARKSA-N	239.105	-0.742	50	10	BBGE	
CN(CC[S@@](C)=O)CC1(C(=O)NN)CCC1	2212266031	LDTSFDQJGWTZBE-MRXNPFEDSA-N	247.364	-0.543	50	10	BBGE	
Cc1cnc(SC[C@H](C)CO)cc1B(O)O	2212599892	PDVFRPVBEVIYJL-SSDOTTSWSA-N	241.121	-0.210	50	10	BBGE	
OB(O)c1ccnc(OC(CF)CF)c1F	2212605887	LKUWIAIXAWYDRR-UHFFFAOYSA-N	234.970	-0.413	50	10	BBGE	
C[C@H](COc1cc(B(O)O)ccn1)N(C)C	2212607093	FWVRGPGRRYRSFI-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
CN(CC(N)=O)CC1(C(=O)NN)CCCCC1	2216881610	MJKLJVSQEJKDRU-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
CC(C)[C@](C)(CN)Nc1cc(B(O)O)ccn1	2217175836	NXHGCKCLYZGLGS-NSHDSACASA-N	237.112	-0.453	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2217178943	CSQPLEGVGQFHIF-KMLSVPJDSA-N	230.076	-0.172	50	10	BBGE	
Cc1cnc(OC2(CCN)CC2)cc1B(O)O	2217180305	GSUJCMCBUBHXRK-UHFFFAOYSA-N	236.080	-0.670	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1nccc(B(O)O)c1F	2217181189	YNQAZMIBCVPKLP-SVRRBLITSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H]2CO)cc1B(O)O	2217184378	RZCFCJOUCUKXIY-PSASIEDQSA-N	236.080	-0.747	50	10	BBGE	
CC[C@@H](COC)Oc1nccc(B(O)O)c1F	2217195342	IUPZCDTUGIYDEM-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@H]2CCC[C@H]21	2217196126	CVNHJXTVCBDJAM-IAZYJMLFSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1	2217197616	OSARNAFTTKQWFO-KVZGKHCDSA-N	230.076	-0.172	50	10	BBGE	
CN(C)C1(CNc2ncccc2B(O)O)CC1	2217204451	JZCPZEMCMFQWAI-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
N#CCCN(CCC#N)c1ccc(B(O)O)cn1	2223638955	NYFAVJDOBOXYNS-UHFFFAOYSA-N	244.063	-0.605	50	10	BBGE	
CC12CC(CNc3ncc(B(O)O)cn3)(CO1)C2	2223679341	OJGXCKPXTLRCBO-UHFFFAOYSA-N	249.079	-0.863	50	10	BBGE	
CCOC(=O)c1c(C)nsc1B(O)O	2241493334	LYPIVJOPNGTCKW-UHFFFAOYSA-N	215.039	-0.692	50	10	BBGE	
CC[C@@](C)(CN(C)C(=O)C#CB(O)O)OC	2243361426	BAGZLMWKASXABU-JTQLQIEISA-N	227.069	-0.725	50	10	BBGE	
O=C(NC1[C@H]2COC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2243371873	AJHAQZDOQYOPIV-YWIQKCBGSA-N	225.053	-1.000	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CF)oc1B(O)O	2243378752	YQBHWBJRNBIWNU-ZCFIWIBFSA-N	229.016	-0.644	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2c[nH]nc2C1	2243392155	RTSACIMJBAFQOL-RQJHMYQMSA-N	221.025	-0.885	50	10	BBGE	
CN(Cc1cnco1)C(=O)[C@H]1C[C@H]1B(O)O	2243396937	SPZXSHQZLVUCBP-JGVFFNPUSA-N	224.025	-0.504	50	10	BBGE	
C[C@H]1CCNCCN1C(=O)C1(B(O)O)CC1	2243397816	JQRKRQCAOYGUNP-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CCS[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243399633	OIRHZJAYTXYZMG-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
C[C@@H]1CN(C(=O)c2sncc2B(O)O)[C@@H]1C	2243403753	CBPBCUQUQHPALO-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
CC[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2243408079	GPSWVNQYWSMWQN-LURJTMIESA-N	225.053	-0.204	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1occc1B(O)O	2243410948	KZMBCXIBUMJEIV-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)sn1	2243414556	CWHJYEJGZAYOCT-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H]1C(C)C)B(O)O	2243433222	JQFHDDKVWNDXGQ-SECBINFHSA-N	247.125	-0.385	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2243752402	IJZNJAVHMYYONO-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244332187	GOSRQJMTKPAGHG-SQXHDICFSA-N	227.308	-0.687	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2CC2(C)C)n1	2247233105	LYIPWMQEEUHFMX-QMMMGPOBSA-N	237.064	-0.053	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247733565	OHVDVTVKGIENMN-IUCAKERBSA-N	237.064	-0.266	50	10	BBGE	
C#CC[C@H](COC)NC(=O)C1(B(O)O)CCC1	2247734385	SUUJZDLMYQHPTA-SECBINFHSA-N	239.080	-0.462	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(F)F	2247737536	HUHGXOZHEKBQGQ-RXMQYKEDSA-N	246.022	-0.532	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1CNC(=O)C#CB(O)O	2247741462	ACSYSGABJASBGC-POYBYMJQSA-N	248.997	-0.294	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)C1(B(O)O)CCC1	2247753264	DTALACUEDHQYEO-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
NCC1CC2(CCN2C(=O)C2(B(O)O)CC2)C1	2247753407	GOMUMIGDPAZDTJ-UHFFFAOYSA-N	238.096	-0.667	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)C1(B(O)O)CC1	2247754461	DNEJVNDPLFFAGR-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
O=C(N1CC[C@]12CCOC2)C1(B(O)O)CCC1	2247755718	JQMZLTVLLSVAJK-SNVBAGLBSA-N	239.080	-0.225	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2247769262	GLLFWWIUCYRWJP-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccc(B(O)O)cn1	2247771907	ZBRDCWCMEUDPJK-MRVPVSSYSA-N	234.064	-0.687	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CCO1	2247797160	GSMBHLSDNLNARJ-AUXWQGHOSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H](CO)C1CCC1)[C@H]1C[C@H](B(O)O)C1	2247798499	UUKILEMTJOQXEP-GUBZILKMSA-N	241.096	-0.483	50	10	BBGE	
O=C(Nc1ccc(O)nc1)C1CC(B(O)O)C1	2247804357	GQXBSNRZFDQPQL-UHFFFAOYSA-N	236.036	-0.021	50	10	BBGE	
O=C(NCC1[C@H]2COC[C@H]12)C1CC(B(O)O)C1	2247808975	WTPWSFXTMNAMRE-DEWLHEKISA-N	239.080	-0.752	50	10	BBGE	
N[C@@H]1CCCC12CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247809116	NYQHKZVOUBDGNV-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
Cc1cnc(C(=O)NCC(C)C)c(B(O)O)c1	2247858819	HYSITFFHCSKLNA-UHFFFAOYSA-N	236.080	-0.544	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)[C@H]1N	2247860549	YAWOUQWUMGWVKK-VFCFLDTKSA-N	240.112	-0.567	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=C(F)CC1	2247869308	PGYLMZRXFRAAHP-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
CCON(CC)C(=O)c1ccncc1B(O)O	2247873642	KWGLUKBAGCOZMC-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
O=C(N1CCC[C@@H]2NCC[C@@H]21)C1(B(O)O)CC1	2247875132	WFQOMWOWWXWKGW-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CCOc1n[nH]c(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2247886864	HHIUPDHGAYLYRW-CRCLSJGQSA-N	240.028	-0.995	50	10	BBGE	
CC(C)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1COC1	2247887253	MENBTRYEHTYWAC-UWVGGRQHSA-N	241.096	-0.267	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2247887592	POHLBLZUBKWDCL-SGIHWFKDSA-N	238.096	-0.846	50	10	BBGE	
Cc1cc(C(=O)N2CCCOC2)oc1B(O)O	2247891305	IFGFNAANGFDHCL-UHFFFAOYSA-N	239.036	-0.912	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247895157	PIFDVPWDGFELGU-BGZDPUMWSA-N	245.059	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)[C@@H]1O	2247899766	PXRLXHHSWPEKSC-ZOZBQHSOSA-N	241.096	-0.675	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@@H]1N	2247910637	QMPMFMZYMQZGJH-NFTFJBJSSA-N	240.112	-0.565	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H](CN)C1CC1	2247911707	XILWAGFICNNZLS-UDNWOFFPSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)co2)C[C@H]1C	2249415774	ISWYYLFMCXLENE-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
CC1(OCc2ncccc2C(=O)NN)COC1	2250804245	JCZBELBBLPLFBM-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1O[C@H]2C=C[C@H]1CC2	2255467854	SGVIFEMOGJPUSO-YUMQZZPRSA-N	249.031	-0.566	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2ncccc2B(O)O)CC1	2255516836	QJPFKXAJMMGKNS-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ncccc2B(O)O)C[C@@H]1C	2255530305	KXLZIJUMQZWTDQ-DTORHVGOSA-N	248.091	-0.511	50	10	BBGE	
C=CC[C@@H]1CCCN1C(=O)c1n[nH]cc1B(O)O	2255546657	IJSSINAHBPBVIO-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1n[nH]cc1B(O)O	2255549848	YMMKCNUAUKYYLE-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
C[C@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2255584366	WGOCCEFBOIHASH-FBIMIBRVSA-N	248.091	-0.008	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@@H]2C[C@H]2C1	2255714785	WECPGJQOSPISLN-BDAKNGLRSA-N	246.075	-0.757	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1occc1B(O)O)C2	2255743389	NWEMIOKPWHRXGP-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
O=C(NCc1cnn2c1CCC2)[C@@H]1C[C@H]1B(O)O	2255774587	RDMPZXGHMBVZAY-RKDXNWHRSA-N	249.079	-0.692	50	10	BBGE	
Cc1ccnc(C(=O)NCCCC#N)c1B(O)O	2255786748	TZCUBYFFARKZHE-UHFFFAOYSA-N	247.063	-0.897	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)ccc1O)C1CC1	2256016629	LHQJTFFYWIXDFY-ZETCQYMHSA-N	249.075	-0.400	50	10	BBGE	
Cc1ccc(NC(=O)c2nc[nH]n2)cc1B(O)O	2256641125	YGCOABXUBSBBCG-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376081	HIYOZPZUHUIKSZ-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2298376912	WTPWSFXTMNAMRE-BIPATUIKSA-N	239.080	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@@H]2C[C@@H]2C1=O	2300385774	XOORMEWELQHDIO-RGOKHQFPSA-N	237.303	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCO[C@H]2C[C@@H]21	2300393268	KYVWIGCBIQNLDR-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1COC1	2301341133	LTSYDUBBMLVAAZ-UHFFFAOYSA-N	232.048	-0.704	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302404451	YTNVOBIBONPIQL-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
N[C@@H](COc1cc(B(O)O)c(F)cn1)C1CC1	2303858255	LUQLAKPADAGVMX-VIFPVBQESA-N	240.043	-0.983	50	10	BBGE	
Cc1cnc(N[C@H]2[C@@H]3CCCO[C@@H]32)cc1B(O)O	2312612182	GDQVFCQTVQFUCB-UWJYBYFXSA-N	248.091	-0.341	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317210762	FMRLTCSUNCWUGO-UFBFGSQYSA-N	247.059	-0.348	50	10	BBGE	
C[C@@H](CC#N)N(C)c1ccc(C=O)c(B(O)O)c1	2317310450	AQSLQMXOPMWTTR-VIFPVBQESA-N	246.075	-0.083	50	10	BBGE	
C=CCNC=C(C#N)C(=O)N1CCNCC1	2324219893	KVFPDJDFHGNXGO-UHFFFAOYSA-N	220.276	-0.399	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)on1	42960337	UOTUXHYPSASETH-ZETCQYMHSA-N	239.231	-0.077	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](N)CC(C)C	49812289	MBCKMBNRGCJEDT-ZETCQYMHSA-N	201.270	-0.083	50	10	BBGE	
Cn1c(C(=O)NN)nnc1-c1ccccn1	75848677	RCYONWQETRJPAS-UHFFFAOYSA-N	218.220	-0.519	50	10	BBGE	
N/C(=N\NC(=O)Cc1ccccc1)C(=O)O	82289188	BGZUSYGCPURPPJ-UHFFFAOYSA-N	221.216	-0.298	50	10	BBGE	
NNC(=O)CN1CC(=O)Nc2ccccc21	82466614	LJPSZZIEKFGDIG-UHFFFAOYSA-N	220.232	-0.565	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)CCO1	82467627	DMFBZDJNEFNPDN-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C(CCl)Nc1c[n+](N2CCOCC2)no1	83251675	PDFIZYITTBYBEW-UHFFFAOYSA-O	247.662	-0.892	50	10	BBGE	
OCc1ccc(Br)c(B(O)O)c1	201015557	CSGKVAIKVLBPTI-UHFFFAOYSA-N	230.854	-0.379	50	10	BBGE	
C#C[C@@H]1CC[C@H](C(N)=O)N1C(=O)CCl	205053472	PCXNOANKBYOEIH-RNFRBKRXSA-N	214.652	-0.297	50	10	BBGE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NN	228919696	QHXSZQNCMVZKRO-NYNCVSEMSA-N	213.281	-0.491	50	10	BBGE	
CN1CCN(Cc2cccc(C(=O)NN)n2)C1=O	234315917	KMGWFWAVNIYCSY-UHFFFAOYSA-N	249.274	-0.448	50	10	BBGE	
O=C1N[C@H]([C@@H]2CC(Cl)=NO2)C(=O)O1	238520170	HFWQQFYCIQTXMP-ZAFYKAAXSA-N	204.569	-0.037	50	10	BBGE	
N#CCOc1cccc(C=O)c1B(O)O	238614666	XPDJIXNMOMZXAP-UHFFFAOYSA-N	204.978	-0.919	50	10	BBGE	
OB(O)c1ccc([C@H]2CCCN2)c(F)c1	238645573	AQYNMKXDXGZJDR-SNVBAGLBSA-N	209.029	-0.070	50	10	BBGE	
COCCN([C@@H](C)COC)[C@H](C)C(=O)NN	250968962	DDJQIPMAATWVBR-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)NC(=O)CO2	258994101	LQYDQDJLTBMLTO-UHFFFAOYSA-N	221.216	-0.118	50	10	BBGE	
N#CC1=C(C(=O)N2CCCC2)S(=O)(=O)N=C1	260025918	FINUQDCBZJFQQQ-UHFFFAOYSA-N	239.256	-0.199	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)O[C@H](CO)C1	299954306	AXOUIBJDESYCII-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@@H](C)C(=O)NN)C1	307012581	MOBZTRJWBYSEIG-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)[C@@H]1CCOC1	308792393	BKSZNUVHUXJZGJ-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1ccc(N2CCNCC2)cc1Cl	309385178	AJXBKZQFKVTQDE-UHFFFAOYSA-N	240.499	-0.571	50	10	BBGE	
COC(/C=C\B(O)O)(OC)C(=O)OC(C)C	309534897	FCUNGPKORMTLMC-WAYWQWQTSA-N	232.041	-0.505	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(O)(C(C)C)C1	383981932	LWGCXDTYWIMJQS-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
N#Cc1cnn(Cc2nc(C(=O)NN)co2)c1	386733688	COZLINRSEWURMG-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
Cc1cnc(S[C@@H](C)C(=O)NN)nc1O	389590295	LMPAYKNMHGFFGK-YFKPBYRVSA-N	228.277	-0.039	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@]1(C)CN	390055935	NLLLCYQHAANDPZ-KOLCDFICSA-N	228.340	-0.327	50	10	BBGE	
CCOc1nc2cccc(B(O)O)c2o1	396124970	FRFIXWWJIOLGOR-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
N#Cc1cc(CO)c2cc(B(O)O)sc2c1	396218128	IXBDFNHXMOQQDA-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=Cc1ccc2c(CO)c(B(O)O)sc2c1	396330723	CERYWBPPFNCCGC-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1c(B(O)O)sc2cc(O)ccc12	396383470	NWQPNKDTIFBFGM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCOCCC(=O)Nc1ccccc1B(O)O	404956839	YMGSXCFWYDOBGQ-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H]2C[C@@H]2C1	404989404	ZBOPPZFIVOSPRP-AYMMMOKOSA-N	246.075	-0.254	50	10	BBGE	
COC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405178779	DSBFRMRNJNJRIB-SSDOTTSWSA-N	223.037	-0.217	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCC[C@H]1OCC2	687414969	ZLSSGZCPHDBMLD-HZGVNTEJSA-N	229.305	-0.190	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)CC[C@H]1C	688752805	FPCNEXLIGKYKTR-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](CCF)C1	689863589	OAMQEPBUOFNNLF-SSDOTTSWSA-N	217.244	-0.426	50	10	BBGE	
COc1cc(NC(=O)C(=O)NN)ccc1C	690165684	ZGYYSJYGQWGFDN-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)C[C@H](C)O	692170288	MNVWKIITDBLDCN-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)C(=O)NN	697974100	JBDGZBZAUZICOE-RNLVFQAGSA-N	211.265	-0.519	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCCN(CC1)C2	700866267	PCQSLRHPOGAOGA-VIFPVBQESA-N	228.321	-0.663	50	10	BBGE	
CN1C[C@@H]2CN(CCCC(=O)NN)C[C@]2(C)C1	702404927	IAJVLGJUHZRTDX-PWSUYJOCSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](N2CCC2)C1	705329533	AGAZCIWEGGNFBH-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CC(C)(CCN1C(=O)COC1=O)C(=O)NN	709021295	CTNSBJBKWKRUJM-UHFFFAOYSA-N	229.236	-0.629	50	10	BBGE	
O=C1CN(CCCOC2CC2)CC(=O)O1	717329468	VWJNIFMHSLSIKQ-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)Nc2ccccc2B(O)O)C1	718556025	BGDOKPJCTSIMIR-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)CCO1	720476426	SJJVUJJWKLWARD-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C(CCCl)NC[C@H]1CNC[C@H](O)C1	722410086	LHWWURPMHZAMIB-HTQZYQBOSA-N	220.700	-0.298	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)Cc1cccc(B(O)O)c1	724135159	ACOXPROCKPUMSL-OLZOCXBDSA-N	249.119	-0.024	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NN(C)C(N)=O)C1	831519578	OPRNPMKHMNXFCH-NKWVEPMBSA-N	215.253	-0.157	50	10	BBGE	
CN1CCC(=NNC(=O)[C@@]2(C)CCCO2)C1=O	834993936	LEOLOFHYHYLUOD-LLVKDONJSA-N	239.275	-0.110	50	10	BBGE	
C[C@H]1CCN1C(=O)NNC(=O)c1cn[nH]c1	883737368	ALPHQPRSKKUCBW-LURJTMIESA-N	223.236	-0.142	50	10	BBGE	
CC(=NNC(=O)N(C)C)c1c[nH]c(N)n1	901180270	ULZHQQSQJHXGNF-UHFFFAOYSA-N	210.241	-0.013	50	10	BBGE	
Cc1ccncc1C=NNC(=O)C(N)=O	1116871458	PQTCRYJBGLJJGN-UHFFFAOYSA-N	206.205	-0.675	50	10	BBGE	
CNC(=O)NNC(=O)c1cc2cccn2cn1	1142141801	DKBWURGWCVQFIK-UHFFFAOYSA-N	233.231	-0.092	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1	1182157736	BBUPQQHPUFDARJ-OLQVQODUSA-N	230.220	-0.427	50	10	BBGE	
CN(NC(=O)C1(O)COC1)C(=O)OC(C)(C)C	1468812154	MJXYFVUTWWTTNM-UHFFFAOYSA-N	246.263	-0.354	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(O)cn1	1625728691	BGXSYDBTDMMEID-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
CC(C)(C)OC(=O)NOCCC(=O)NN	1879944834	GKVYCGRQJLMHDO-UHFFFAOYSA-N	219.241	-0.177	50	10	BBGE	
C[C@@H]1[C@H](O)CN1S(=O)(=O)CBr	1880271792	KEOHYTZLUINYDX-RFZPGFLSSA-N	244.110	-0.266	50	10	BBGE	
O=C([C@H]1C[C@H]1Br)N1CC(O)C1	1880430960	VXRFQTDDKFODTL-NTSWFWBYSA-N	220.066	-0.027	50	10	BBGE	
OC[C@@H](O)CNC[C@H]1C[C@H]1Br	1880433893	LCKIXRDYOJGBJN-DSYKOEDSSA-N	224.098	-0.287	50	10	BBGE	
NS(=O)(=O)CCNC1CC(Cl)C1	1880575646	DKGQXPYNRPWCGO-UHFFFAOYSA-N	212.702	-0.366	50	10	BBGE	
CC(C)(CNC(=O)F)NS(C)(=O)=O	1882788228	VDLIMYAVAIGQLH-UHFFFAOYSA-N	212.246	-0.007	50	10	BBGE	
N#CCNS(=O)(=O)CCOCCCl	1883179650	MOSICLSYGCHTLQ-UHFFFAOYSA-N	226.685	-0.315	50	10	BBGE	
CCn1nnc([C@H](Cl)C(=O)NC)n1	1883717249	KOPVGOZXHOUIPM-BYPYZUCNSA-N	203.633	-0.281	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H]1COCCO1	1884831144	MTEOFXIWEDXSTH-YUMQZZPRSA-N	217.652	-0.241	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1888652474	PYFFISRXMXECIR-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
CC(C)[C@@H](O)CN1CC[C@H](B(O)O)C1	1891490610	FIOSTMUQMCJPLX-IUCAKERBSA-N	201.075	-0.448	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnsc1	1892923134	CJWVAVLPZSEQCA-UHFFFAOYSA-N	212.039	-0.559	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2CC1(CO)C2	1900042630	DVXRLGXPSIWMPB-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cnsc2B(O)O)C1	1900451032	LEZFBRFYUHCWHO-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
C#CCN(C)c1ccc(C=O)c(B(O)O)c1	1901242249	IQQGIZLJHNKJNT-UHFFFAOYSA-N	217.033	-0.752	50	10	BBGE	
Cn1ncnc1CN1CC[C@@](C)(B(O)O)C1	1902540439	GAEWCMDDJGCFSR-SECBINFHSA-N	224.073	-0.746	50	10	BBGE	
C[C@H]1CN(Cc2nc(B(O)O)cs2)C[C@@H]1C	1902636726	BKQHMRBSALZQNR-YUMQZZPRSA-N	240.137	-0.089	50	10	BBGE	
CC[C@H](OC1C[C@@H](OC)[C@H](OC)C1)C(=O)NN	1906585378	JIYANGHCOVHPTI-IVZWLZJFSA-N	246.307	-0.036	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@@H]1CCC[C@H](C(=O)NN)O1	1909803878	BEJUMYCNBYSCIY-HRDYMLBCSA-N	241.291	-0.465	50	10	BBGE	
N#Cc1ccc(C=CC(=O)NCB(O)O)cc1	1911738782	CFZCGFAVVSNORU-UHFFFAOYSA-N	230.032	-0.300	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C[C@@H]1CO	1914019826	IUXSDAJSFOMWHC-SECBINFHSA-N	241.335	-0.293	50	10	BBGE	
CCN(Cc1cc(C(=O)NN)no1)C1COC1	1915653043	FPBHGSJELZNVOY-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnco1	1923410265	JAPWVPIMTPODFM-UHFFFAOYSA-N	223.110	-0.002	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)CCO1	1929661089	JDQUIBBMLCTZLH-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
Cc1nscc1CNC(=O)C(=O)NN	1930565252	DSEAPOKTOBQSKX-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CN(C)C2)C1	1932061572	WNMFTUQKBVPOJB-QMMMGPOBSA-N	212.297	-0.998	50	10	BBGE	
CC[C@H]1CCOC[C@H]1OCC(=O)NN	1932289751	HLLKUAAVKMGOMM-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
CC(C)N(CCCO)CC(F)(F)C(=O)NN	1935929583	DNAUAKQJPCHYNS-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1936089356	BHIAOHDJCVOROS-XFWSIPNHSA-N	227.308	-0.827	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	1939075321	NULGWHDDCMCDLP-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1N(C)C	1945882634	KUYDAXVGXIYYHS-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
Cn1cncc1C(=O)N1CC[C@@H](B(O)O)C1	1951320724	QHFCRTATXMTCES-SSDOTTSWSA-N	223.041	-0.891	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	1958452247	KELTXGGELAIKJA-FKSUSPILSA-N	209.249	-0.767	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1C1CC1	1961489793	NMOPWTPASQUMGH-QMMMGPOBSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](CF)C1	1961591824	FMNIFXNGKQIGLI-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
CCN(c1ccncc1B(O)O)C1CC1	1961694121	JXQLBUYHVMEVIM-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
CC[C@@]1(C)CCN1[C@H](COC)C(=O)NN	1974731580	CUMJLMAWNMOBHM-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
N#CC1CN(Cc2cnc(C(=O)NN)s2)C1	1978700281	ZUGOGJNSPAZYJC-UHFFFAOYSA-N	237.288	-0.298	50	10	BBGE	
CN(CCC1CCOCC1)C(=O)C(=O)NN	1980790385	DGAOEUKNRGAFOL-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1980949463	IMZIIYHZWKFOKY-ZKANADHPSA-N	247.364	-0.402	50	10	BBGE	
CN(c1nc(B(O)O)cs1)C1CCOCC1	1981473164	XDXVLSXGTWJLPD-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)C1(O)CCC1	1987700124	YUJDLTZCGYLFIJ-ZCFIWIBFSA-N	231.252	-0.870	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NCC=CB(O)O)O1	1991339763	XOAWSQWADRCCFG-RKDXNWHRSA-N	227.069	-0.372	50	10	BBGE	
O=C(O)C1=C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2Cl)C1	1991683624	VILAZXMBKOSJKW-OSMVPFSASA-N	245.662	-0.126	50	10	BBGE	
C=C(CN1C[C@@H]2CN(C)C[C@@]2(C)C1)B(O)O	1992153103	LVFBAOLUHWDRGJ-QWRGUYRKSA-N	224.113	-0.562	50	10	BBGE	
C=C(CN1C[C@@H]2CN(C)C[C@]2(C)C1)B(O)O	1992153104	LVFBAOLUHWDRGJ-WDEREUQCSA-N	224.113	-0.562	50	10	BBGE	
COC[C@@H](C)COc1ccc(B(O)O)cn1	1995215637	XJQZPSWCOXBTFC-MRVPVSSYSA-N	225.053	-0.577	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(F)(CO)CC1	1995938080	RUKNOHUSMUELPO-SECBINFHSA-N	247.314	-0.059	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cn(C)cn1	1997724559	BSMNESWKDIVYKH-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
COC[C@H]1CCOCCN1[C@H](C)CC(=O)NN	1998227556	LKUXIISNLUCHGZ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC2(CC2)C1	2003506441	UGLJBGDQRQOOCT-UHFFFAOYSA-N	235.291	-0.381	50	10	BBGE	
COC[C@H]1CCCN1c1ccc(B(O)O)cn1	2004911401	GPQQZMMOROHBFY-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CO[C@H](C)C2)n1	2004928748	GBMIORHKFUFWLK-SVRRBLITSA-N	238.052	-0.979	50	10	BBGE	
COc1nc(OCC(C)(F)F)ncc1B(O)O	2004933493	IKGJKCQCPCXLBX-UHFFFAOYSA-N	247.994	-0.801	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	2011806962	HLVYEGQWXZGBCR-JXUBOQSCSA-N	243.307	-0.900	50	10	BBGE	
CC[C@H](CN(C)c1ncncc1B(O)O)OC	2014865836	NGPTUAZCAIRPRG-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccccc1B(O)O	2022195859	BVTLZEOSTLTSKI-UHFFFAOYSA-N	237.039	-0.078	50	10	BBGE	
O=C(CN1CCC12CNC2)NNc1ccccn1	2034684429	LPBIAOSEOWRVMM-UHFFFAOYSA-N	247.302	-0.428	50	10	BBGE	
Cc1occc1C(=O)Nc1ncc(B(O)O)cn1	2040762358	CCMKUADYMDDJLG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC=C[C@@H]1CO	2056277061	KVINIQBCASQNLU-VXGBXAGGSA-N	247.298	-0.050	50	10	BBGE	
NNC(=O)c1ccc(Cn2ncccc2=O)cn1	2056638592	YTKXZPMEGUIDOC-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
CCc1c(OC)ccc(B(O)O)c1[N+](=O)[O-]	2060055841	FMWUMUYVGBMBFT-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(OC(F)F)c(OC)c(B(O)O)c1	2060185003	FYVHGKCAFCSNTO-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
N#Cc1ccc(OC(F)F)c(C=O)c1B(O)O	2060276617	XZZVBCXBFIQXBJ-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3COC[C@@H](C3)C2)nc1	2068705761	WOTDPHBTQDLQHJ-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
O=C(NCC=CB(O)O)c1n[nH]c2c1CCCC2	2076080207	ANRSEOQPSSFSOA-UHFFFAOYSA-N	249.079	-0.414	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1B(O)O	2079010684	SDUWFYRTBAFWNX-GZMMTYOYSA-N	249.075	-0.726	50	10	BBGE	
CC1(C)CN(C(=O)NN)C[C@H]1CCO	2209994102	UBMHHSQKWMIRCL-SSDOTTSWSA-N	201.270	-0.090	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)Cc1nscc1B(O)O	2211137127	BBPZUSOFYYMCMS-YUMQZZPRSA-N	240.137	-0.089	50	10	BBGE	
OB(O)c1cnccc1OC1C[C@@H]2C[C@H]2C1	2212294833	XLEMJFOOXOCQGX-YUMQZZPRSA-N	219.049	-0.061	50	10	BBGE	
Cc1cnc(NCC(C)(C)N)cc1B(O)O	2212604932	UWLZPQSRFKZUHG-UHFFFAOYSA-N	223.085	-0.781	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1ccc([N+](=O)[O-])n1	2215770167	AIBHCFHETYMEPB-RNFRBKRXSA-N	239.235	-0.193	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(OC(F)F)C1	2215771721	JNXNHIIBGHRXOC-SVRRBLITSA-N	249.261	-0.074	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215774786	FFQQMFVPOBRDFR-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2CC[C@@H]2C(=O)NN)n1	2215775109	ZKZNDXANAJFPAR-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
CN1CC2(C1)CN(C[C@H]1CC[C@H]1C(=O)NN)C2	2215776292	LVQYVKOSNQKVLS-NXEZZACHSA-N	238.335	-0.750	50	10	BBGE	
CC(C)CN(CCO)C[C@@H]1CC[C@H]1C(=O)NN	2215778083	XEWVNLRGFXIOEJ-WDEREUQCSA-N	243.351	-0.047	50	10	BBGE	
N#CC[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2217174100	WDTJSOQBMGBLSA-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
OB(O)c1ccnc(NCC2CCNCC2)c1	2217197977	ULJDKGPBJDFIRU-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCCO[C@H]32)c1	2217198120	WVRYHLIMENFDGN-JMJZKYOTSA-N	234.064	-0.649	50	10	BBGE	
CCC[C@](C)(CO)Nc1ncccc1B(O)O	2217202153	ILVVRVWIRYTNJI-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1cccc(CN2CCN[C@@H]3CC[C@H]32)c1	2220061584	CIYQFNKIRJCNAY-CHWSQXEVSA-N	246.119	-0.697	50	10	BBGE	
CCNC1CCN(c2cc(B(O)O)ccn2)CC1	2223638252	JXGBVUKYHAPQSF-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCNC23CCC3)c1	2223659769	IRWAXPPOZRUKQZ-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
Cc1csc(CN(C)C=O)c1B(O)O	2241557536	ACZKHEGEFHQSLN-UHFFFAOYSA-N	213.067	-0.675	50	10	BBGE	
O=C1CCCN1C(=O)c1ccc(B(O)O)s1	2243350281	YNQQJGLOGXGTDK-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363418	GNVRNFPLLHTDHO-SFYZADRCSA-N	226.085	-0.811	50	10	BBGE	
CC(C)NC(=O)c1cccc(F)c1B(O)O	2243366349	AWGJQNOBAYPNDW-UHFFFAOYSA-N	225.028	-0.356	50	10	BBGE	
O=C(N1CC[C@H]2C[C@@]2(F)C1)C1(B(O)O)CC1	2243369318	RSTFYIZMXPBDJE-OIBJUYFYSA-N	227.044	-0.046	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2243381087	BZFVGFQAIMPMLH-AFPNSQJFSA-N	227.069	-0.513	50	10	BBGE	
CCOC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243395991	FUBSLPUELDGAKF-PEBLOWIWSA-N	227.069	-0.467	50	10	BBGE	
CC1(N)CC(NC(=O)C2CC(B(O)O)C2)C1	2243397041	UTVVYDJUZZMXPN-UHFFFAOYSA-N	226.085	-0.765	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243403975	HAWAYSAEVYCKLO-RQJHMYQMSA-N	239.105	-0.044	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)sn1)C1CCC1	2243414668	GDFFOMNIIKZILF-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
O=C(NC1CCCC1)c1sncc1B(O)O	2243414949	LFLRBPNRRCGQMJ-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
Cn1cnc(CN2CCC(B(O)O)CC2)c1	2244181044	VEHPKFBVKWOTBL-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2244213795	KILIBJLVPPMNGE-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
C#CC(C)(C)N1CCN(CC(=O)NN)C1=O	2244594519	HDPUGAYGKBTZHY-UHFFFAOYSA-N	224.264	-0.874	50	10	BBGE	
O=C(NC1(CCO)CCC1)C1(B(O)O)CCC1	2247722693	NGEHRTBWHINPTC-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
CC(C)(CF)CNC(=O)c1cc(B(O)O)c[nH]1	2247737947	MEBPOYIQJJGKIN-UHFFFAOYSA-N	242.059	-0.580	50	10	BBGE	
CC(C)(F)C1CCN(C(=O)C#CB(O)O)CC1	2247738071	MKGMFPOMVITSCE-UHFFFAOYSA-N	241.071	-0.012	50	10	BBGE	
Cc1cccc(CN(C)C(=O)C#CB(O)O)c1	2247739780	BJQVALBPKHQWMF-UHFFFAOYSA-N	231.060	-0.031	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1cncn1C	2247751019	ROGYWGUBIIKPMX-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
CCc1conc1CNC(=O)C1(B(O)O)CC1	2247751074	SGVZXKGFBSAKMO-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
O=C(N1CC[C@H]2[C@H](C1)[C@@H]2CO)C1(B(O)O)CC1	2247753520	AEGQFFPJAZOKOU-XHNCKOQMSA-N	239.080	-0.920	50	10	BBGE	
Cc1[nH]nc(CNC(=O)C2(B(O)O)CC2)c1C	2247754687	FFQFWZJKRCFWSN-UHFFFAOYSA-N	237.068	-0.350	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)C1(B(O)O)CC1	2247754704	HIOPQJSVODMBDY-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CON1CCN(C(=O)C2(B(O)O)CCC2)CC1	2247754831	FYEWCGICVSLRKR-UHFFFAOYSA-N	242.084	-0.911	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CC2)[C@H](C)C1	2247757953	YQOXPWFSQFKVKB-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccc(B(O)O)cc1F	2247759594	TXINMMMBZGDLBY-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCN[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786617	DEEZJBPDIMJGDX-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CNC2)[C@@H]1C[C@H]1B(O)O	2247855056	MTUMFEZGRFLSTJ-CDLYGTGVSA-N	238.096	-0.892	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1(C)CC1	2247858157	BHNAJXNTVUAPNI-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C=CCN(C)C(=O)c1cccc(B(O)O)c1C	2247873586	KCCUJUZEBJRPKJ-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247893200	NWSALMZFNYQOAX-IMSYWVGJSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)C1CC(B(O)O)C1	2247893814	YSCKHSFRQJPIII-IDKOKCKLSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247895018	NFKFCXYKCIYIFM-UYXSQOIJSA-N	245.059	-0.517	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COCC[C@@H]21	2247898078	AEEXXYKWBBKPQI-JXUBOQSCSA-N	239.080	-0.513	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@@H](C)CO)c1	2248477356	YAGFCORCQAJZKJ-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2248579972	YHKLUKWCFFHTCR-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
CC1CC(NC(=O)C2(B(O)O)CC2)(C(=O)O)C1	2248587996	XRGNAAYYLMDNRK-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CCC(=O)C2)CC1	2249140317	PFQKIJQSYWOEDB-UHFFFAOYSA-N	237.259	-0.268	50	10	BBGE	
CCC1CC(NC(=O)c2cc(B(O)O)co2)C1	2249418715	XSRIEYUMFQULDA-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2251726381	JJYXNGUGXGZASE-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC[C@H]1CCO1	2253126995	OAEFEATYOBPWOJ-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)C=CCCN1	2253541657	RVHXVWJQJQDKJN-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cc(B(O)O)oc1C	2255449878	QLBHXHUFHDULLB-VIFPVBQESA-N	249.075	-0.200	50	10	BBGE	
Cc1ccc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)nc1	2255564879	RTDNTCLZAXHGQV-GHMZBOCLSA-N	248.091	-0.088	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC=CC[C@@H]21	2255680313	QAQOBVWFBAZWDD-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ncccc1B(O)O	2255715575	HQFKNVLJNAVZBX-MRVPVSSYSA-N	246.075	-0.709	50	10	BBGE	
C#CCCCNC(=O)c1cc(F)ccc1B(O)O	2255721333	XKGLFJCONRNTPG-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
CC(C)C1CN(C(=O)c2ccc(B(O)O)cn2)C1	2255723089	XTXHKGWMXMVZGY-UHFFFAOYSA-N	248.091	-0.511	50	10	BBGE	
C/C=C/CCCNC(=O)c1nccnc1B(O)O	2256058513	FBMJYRIBMXHUGJ-NSCUHMNNSA-N	249.079	-0.758	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CCC[C@H]21	2258129874	ZCBYSEPORAJFIU-LDYMZIIASA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)O1	2298369540	XWBBHIABUKAEEM-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@H](CO)C2	2298369998	LFMUTUAWSZJEAN-BQHMLIOBSA-N	239.080	-0.779	50	10	BBGE	
NC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCCC1	2298370703	IGCWJVNMRUCBNK-OPRDCNLKSA-N	240.112	-0.517	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377539	VBEPEENYYAJXLV-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
Cn1ccn(CCC[C@@H]2C[C@H]2C(=O)NN)c1=O	2300383798	NGPNBSGNQDXBTH-RKDXNWHRSA-N	238.291	-0.407	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2302061178	QTGHNSRKHVXUMT-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303110815	DGQOUXIMKVQHIC-QXEWZRGKSA-N	241.096	-0.266	50	10	BBGE	
Cc1nn(-c2ncccc2B(O)O)c(C)c1F	2303298940	QRDFLLKFPPQKJC-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
NC[C@@H]1CC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303854604	FDRREGZGLFHFMY-IMTBSYHQSA-N	240.043	-0.983	50	10	BBGE	
COC[C@@]1(CO)C=CCN1[C@H](C)CC(=O)NN	2306857414	VTODNZMJHSBHRF-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1CO	2317150056	ADWQHHKWJKRMNJ-GZMMTYOYSA-N	246.075	-0.579	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2321169136	GYRGAJPASUEBBP-SSDOTTSWSA-N	249.079	-0.384	50	10	BBGE	
CCCNC(=O)C(C#N)=CN(C)CCO	2324221036	NCTIBKWKHCWRAL-UHFFFAOYSA-N	211.265	-0.156	50	10	BBGE	
NCCCNC[C@H](O)CBr	33953121	KAIYJLONZWCNDV-ZCFIWIBFSA-N	211.103	-0.319	50	10	BBGE	
C[C@@H](CCC(=O)NN)O[C@H]1CCOC1	82465499	WWOXYMSPQHNUSY-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCO)C(C)C	82470811	QVCCBQLKSOMJPO-VIFPVBQESA-N	217.313	-0.296	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@@H]1O	127605705	XLTDMPZHCZJXQA-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN(C)C)/C(N)=N/O	149699192	CWRXZLSQQXUNKI-ZCFIWIBFSA-N	202.258	-0.258	50	10	BBGE	
O=C(Cl)c1ccc(B(O)O)cc1F	199178898	VSDPBSYSONGLEL-UHFFFAOYSA-N	202.377	-0.116	50	10	BBGE	
COC(=O)c1nc2cc(B(O)O)ccc2o1	206067305	ZMPXSWDIGBWKLK-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CO)OC[C@@H]1C	211809317	GZYHYCKBSXWOMD-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](NC(=O)[C@@H](N)C1CCCCC1)B(O)O	215097210	VLMDGYWBACIKHU-APPZFPTMSA-N	228.101	-0.589	50	10	BBGE	
O=C1C[C@@H](NC(=O)CBr)CN1	229035409	LEZWRTZYJABSDQ-SCSAIBSYSA-N	221.054	-0.614	50	10	BBGE	
COC(=O)[C@@H](Br)CNCCO	234570545	LSCCVAKTJCJBPG-YFKPBYRVSA-N	226.070	-0.495	50	10	BBGE	
C[C@@]1(O)CCN(Cc2ccoc2C(=O)NN)C1	235464249	ZSFDSRSMQYLVQX-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H]1CN(C)CCN1CCCCC(=O)NN	235473532	BYBAFWHQGLXFEW-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCNC(=O)[C@@H](Br)C(N)=O	238246505	CEUBNRAHAHDKNJ-VKHMYHEASA-N	209.043	-0.629	50	10	BBGE	
Cc1ccn(CCCCC(=O)NN)c(=O)n1	300879627	LETHQRAKCNTTIE-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
COC[C@H](N)C(=O)NCC(Cl)Cl	308044596	OWGAUAWJGBVQOU-BYPYZUCNSA-N	215.080	-0.120	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ccccc1F	309688116	OSVJDAZTARJPHV-UHFFFAOYSA-N	226.163	-0.078	50	10	BBGE	
Cc1nnsc1CN1CC(=O)OC(=O)C1	384163056	SAFYVEQHEMGCAR-UHFFFAOYSA-N	227.245	-0.268	50	10	BBGE	
COC(=O)CN1CCCN(C(=O)CCl)CC1	389790570	PPZQEALKGZHJQZ-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
CCOc1cc(B(O)O)ccc1C(=O)OC	393807974	ZDRGXUTYOIJMLT-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
CC(C)(CCN1CCNC(=O)CC1)C(=O)NN	395717522	QQTRSUQHHCWQOR-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
Nc1cc2c(CO)c(B(O)O)ccc2s1	396253126	VBUUDICMXOBWHT-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@H]1CNC(=O)C1	398292546	HAIPIHQBIWBUGO-NTSWFWBYSA-N	247.682	-0.424	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCOC[C@H]1C	398904992	FQXASDNBORMYTR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cc1oncc1C(=O)Nc1cccc(B(O)O)c1	404963452	FQZZLBAXRQYOGD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(=O)NCc1cc(B(O)O)ccc1F	404979889	HJAXXVXYYZJOBN-UHFFFAOYSA-N	211.001	-0.858	50	10	BBGE	
OB(O)c1cncc(O[C@H]2CCCCO2)c1	686652145	JPTQAOBTILLCNH-JTQLQIEISA-N	223.037	-0.333	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCC[C@H]1OCC2	687485489	NLALCZKVGDHKJU-GMSGAONNSA-N	227.264	-0.948	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CC(N)=O)C1	690736832	KLGGCRKCBVSRGC-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@H]2Cl)nn1	701472295	BCKXKUDCGBGOJB-WHFBIAKZSA-N	214.612	-0.838	50	10	BBGE	
O=C(CCl)NCC1CS(=O)(=O)C1	701894932	ZWUUPTXOHKZULM-UHFFFAOYSA-N	211.670	-0.614	50	10	BBGE	
O=C(NCB(O)O)c1cccnc1C(F)(F)F	704254245	OCERAIVQWLXSOC-UHFFFAOYSA-N	247.969	-0.158	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCn1cccn1	707202717	BKBGKGCZIKYSIU-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]21	707904612	FOAALVPADZCZME-XLPZGREQSA-N	211.265	-0.329	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@H](C3CC3)O2)c1	715471892	KUYHIJUYQQIXKR-GHMZBOCLSA-N	236.080	-0.480	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)CCCCCl	718219148	UYOSUKKFSMZYFP-QMMMGPOBSA-N	239.724	-0.081	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCS1	718301313	XCWVGWNKGLQCIQ-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
Cn1ncc(CNC(=O)NNc2cccnn2)n1	805999750	ZLKFIBPJPNPTEP-UHFFFAOYSA-N	248.250	-0.569	50	10	BBGE	
CCCONC(=O)NNC(=O)[C@@H]1COCCO1	828282859	JHFZTVCSHJSQIG-ZETCQYMHSA-N	247.251	-0.926	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862892796	YMRNKQOECGXRMG-CIUDSAMLSA-N	244.291	-0.282	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)N(C)C)c1C	1116071450	FEXFJWMYYOSAQF-UHFFFAOYSA-N	225.252	-0.057	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCOCCO	1136171776	BJRSUVGAVPTZGY-HJWRWDBZSA-N	228.248	-0.445	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@@H]1COC(=O)C1	1141855447	PCKSKBXKBNTICB-SFYZADRCSA-N	230.264	-0.717	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1cn[nH]c1	1287253473	AESIDRMKMVTJSN-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1	1300694652	UPYZCCCUHJKSQY-SVRRBLITSA-N	240.263	-0.422	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc2[nH]cnc12	1623582532	VUQCOCCGOALVLL-UHFFFAOYSA-N	219.204	-0.261	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)c2ccnnc2)C1	1639367238	IVICUAHBHKGZGU-UHFFFAOYSA-N	234.215	-0.783	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1	1640025616	FJCUFECNMONOLQ-ZCFIWIBFSA-N	242.235	-0.120	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)C[C@@H](O)C1	1882572572	PSMAOUOWJOWBSU-PHDIDXHHSA-N	209.629	-0.253	50	10	BBGE	
CN1CC(NC(=O)/C=C/C(=O)Cl)C1	1883647765	QNGLGZJVSSIKKC-NSCUHMNNSA-N	202.641	-0.262	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](F)[C@H](CO)C1	1884618186	HENDVILVRJOAOM-NKWVEPMBSA-N	245.703	-0.183	50	10	BBGE	
CN(C)C(=O)[C@H]1CNCCN1C(=O)F	1887173692	PNBPHFTYKKFHPG-ZCFIWIBFSA-N	203.217	-0.562	50	10	BBGE	
CCC[C@H](COC)C(=O)NNC(N)=S	1890269590	KSVCTRDXQJEULR-ZCFIWIBFSA-N	219.310	-0.087	50	10	BBGE	
CN(C)CCN1CC[C@@](C)(B(O)O)C1	1891586011	OOEWETCOIOVNPQ-SECBINFHSA-N	200.091	-0.513	50	10	BBGE	
C[C@H](CBr)CN1CCNC(=O)C1=O	1891863290	VGBXMKWSIHQOJE-ZCFIWIBFSA-N	249.108	-0.024	50	10	BBGE	
CS(=O)(=O)N1CC(NC[C@@H]2C[C@@H]2Cl)C1	1893105976	CFGLYPAXZCVOBD-XPUUQOCRSA-N	238.740	-0.153	50	10	BBGE	
C=C(CN1CCO[C@@H](CF)C1)B(O)O	1895097451	QEELLOFXMXIRFO-QMMMGPOBSA-N	203.022	-0.775	50	10	BBGE	
NNC(=O)COC[C@H]1C[C@]12CCOC2	1895375267	OHVRXPBBEGNORW-APPZFPTMSA-N	200.238	-0.581	50	10	BBGE	
CNC(=O)Nc1ccc(C)c(B(O)O)c1F	1905181895	YMDYMJKTBOTJEP-UHFFFAOYSA-N	226.016	-0.435	50	10	BBGE	
CC(=O)N(C)C1CN(C(=O)C=CC(=O)Cl)C1	1905446646	CRHNZUDQZHCRTD-UHFFFAOYSA-N	244.678	-0.003	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2C[C@@H]2C1	1909026707	LXRUNKUVZHPZRY-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1909716883	WOVWUYKUAHFMHA-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CN(C)CCC1CN(CCC(=O)NN)C1	1910106581	IYUDTXDITANJPF-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
CCS(=O)(CC)=N[C@@H](C)C(=O)NN	1913893057	FPJLGONLGBKCSM-LURJTMIESA-N	207.299	-0.127	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CC(O)C1	1914601828	XQLVBHKCDATXFO-JECWYVHBSA-N	201.270	-0.790	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1CN(C)C1	1928159518	CNBSSCJFPQTVJM-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
OC[C@@H]1C[C@H](CO)N(CCOCCCl)C1	1928368453	ULHSCLSFIVLOGF-NXEZZACHSA-N	237.727	-0.083	50	10	BBGE	
CC1(C)COCCN(CCC(=O)NN)C1	1928482554	KJNNPVLHAYLQAP-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
COc1cc(OC)n(CCC(=O)NN)n1	1930290477	YSNLMSCTZOEEMX-UHFFFAOYSA-N	214.225	-0.720	50	10	BBGE	
CC[C@H](CCOC)C(=O)NNC(N)=O	1931775506	LXRRPTFECXOQRZ-ZCFIWIBFSA-N	203.242	-0.251	50	10	BBGE	
CCSC1CN([C@@H](C)C(=O)NN)C1	1933225512	JIFOVJVIIFFUOX-LURJTMIESA-N	203.311	-0.198	50	10	BBGE	
C[C@]1(CO)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936082169	CWALGVWOSNIOOC-KKZNHRDASA-N	227.308	-0.683	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](OC)[C@H](F)C1	1937153328	JJOGXKUOCCHHIJ-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
CNC(=O)OC1CN(CCCCC(=O)NN)C1	1943064165	YAJCDPYRHJBJIM-UHFFFAOYSA-N	244.295	-0.813	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCn1cnnn1	1955567586	DEUKPJVUEQIMOQ-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
CO[C@H](C)[C@H](C)N1CC(=O)OC(=O)C1	1955629405	LQHGBBVGPGSQFS-NKWVEPMBSA-N	201.222	-0.205	50	10	BBGE	
C[C@@]1(Oc2nc(B(O)O)cs2)CCOC1	1961697927	ZTUSBEYPMROPQT-MRVPVSSYSA-N	229.066	-0.619	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	1961815376	OAADZJLMVBSYRM-FMGWEMOISA-N	209.249	-0.863	50	10	BBGE	
COC[C@H]1CN(CCC(=O)NN)C[C@@H]1C	1962492272	BMIIISHGSRKOOA-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCn2nnnc2C1	1974681934	UFBPLVCVNXBVTK-RITPCOANSA-N	229.671	-0.269	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC1)COC2	1974883492	QEXQHYNTHIHOMQ-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1c1ccccc1	1981021749	LFRRNUQADMFHAX-SECBINFHSA-N	219.244	-0.050	50	10	BBGE	
CN1CCC[C@H]1[C@@H]1CCCN1CC(=O)NN	1981072297	FXKDZHOIKAHMCN-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1CCCO1	1981429231	BMGLKTVHKBTEQL-MRVPVSSYSA-N	223.037	-0.681	50	10	BBGE	
C=C1CON(c2ncc(C)cc2B(O)O)C1	1981472595	ROPJJTUNYVYZSW-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
CN(CCCC(=O)NN)CC1[C@H]2COC[C@H]12	1982261611	ZTTSMTRSRAWVRW-NXEZZACHSA-N	227.308	-0.419	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	1984031764	QMHWXHLRQKFCHI-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]2CF)n1	1986085120	SCIXQGMHFHUCRM-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2[C@@H]1CCN2C	1986250463	YITZTKZCOZLSNY-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CCOC1CC(C(=O)NCC=CB(O)O)C1	1991329876	KFXDKAMCXARBQX-UHFFFAOYSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1C[C@H](O)CCO1	1991662514	LQZBLHCUVBYBNX-HTQZYQBOSA-N	247.678	-0.036	50	10	BBGE	
C=C(CN1CC[C@H]([C@@H]2CCOC2)C1)B(O)O	1992144700	CMKJJJJASARTCX-WDEREUQCSA-N	225.097	-0.087	50	10	BBGE	
C=C(COC1CC(n2cncn2)C1)B(O)O	1992152392	DVBNJVRKHMCNAY-UHFFFAOYSA-N	223.041	-0.434	50	10	BBGE	
O=C(Cc1ccccc1)NCC#CB(O)O	1992167897	RKKJIHKSCMVZSL-UHFFFAOYSA-N	217.033	-0.639	50	10	BBGE	
NNC(=O)CN1CCC(C2(O)CCC2)CC1	1994612694	BDACSQSIFYCGGA-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](n2cccn2)C1	2004328582	XSNPIWBVEACWLI-VHSXEESVSA-N	237.307	-0.102	50	10	BBGE	
CN(Cc1cccs1)c1ncc(B(O)O)cn1	2004915789	DFAYYVIEZRNWKN-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C)C2	2006383120	YDZXCMYPNVKGBW-CHWFTXMASA-N	240.351	-0.078	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1COC(C)(C)CO1	2007709950	RKLFSYDXECKVOH-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2C2(O)CC2)CC1	2013925298	IHYRZFBIWGLXCD-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
COCCCCOC[C@H]1CC[C@H](C(=O)NN)O1	2014229784	XQVPNIOWFAGZDV-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncc(F)cc2B(O)O)CO1	2014930808	YJTDAIXRNVDHKV-HTRCEHHLSA-N	241.027	-0.543	50	10	BBGE	
CCO[C@@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	2020062687	UJPDNBOURHTXJX-NXEZZACHSA-N	241.096	-0.124	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@]3(CO)C2)CC1	2021656521	SCWKCXOITYNIOS-BXKDBHETSA-N	239.319	-0.539	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C[C@H]2C1	2022199346	DBNNPONZRPWZRF-DTORHVGOSA-N	231.060	-0.542	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	2022364669	MEWFMGHKCINUSD-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
Cc1ncc(OCc2ccncn2)cc1B(O)O	2031580936	WCILDIDXKKWHRV-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
Cc1ncnc(N(C)C[C@@]2(C)C[C@@H]2C)c1B(O)O	2052557857	VJWISNUTAPJHRL-QPUJVOFHSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c1B(O)O	2053737238	WJBMCIZGPGRCPN-AATLWQCWSA-N	245.091	-0.691	50	10	BBGE	
C[C@H]1CC[C@@H](n2cnc3c(B(O)O)ncnc32)C1	2055740005	JOYRVGMTERZRKM-JGVFFNPUSA-N	246.079	-0.133	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1OC	2060322832	DFGHPKXGOXRWGI-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
C#C[C@H]1COCCN1C[C@@H](O)CCl	2209322035	INKDFPUCZHKDHY-IUCAKERBSA-N	203.669	-0.080	50	10	BBGE	
NNC(=O)NC[C@@H](F)C1CCOCC1	2209979202	FDBBJBLPQJNTGE-SSDOTTSWSA-N	205.233	-0.076	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@H]2C1=O	2211799529	ZIPYMCLVLPSFML-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCOC1	2212614801	HIUZXLQECVXQEZ-QMMMGPOBSA-N	222.053	-0.648	50	10	BBGE	
CCC[C@H](C)Cn1cc(B(O)O)cnc1=O	2212716817	IXQLHIUXKPPCJZ-QMMMGPOBSA-N	224.069	-0.641	50	10	BBGE	
C[C@H](CN(C)c1cccn(C)c1=O)C(=O)NN	2213163682	AHSKWNWREDECFO-MRVPVSSYSA-N	238.291	-0.553	50	10	BBGE	
NC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214593285	QWVOUPFTGAUACM-LLVKDONJSA-N	234.108	-0.853	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@@H]1CF	2215770353	AYPSMPZOJUHQNJ-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC2(CC2)C1	2215773217	RYRMPMNDIBOPCA-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC1(O)CN(CC2(C(=O)NN)CCCCC2)C1	2216881075	DHCHWCHGTVLDQF-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
NC[C@@H](Oc1ncccc1B(O)O)C1CCC1	2217166360	MKPZHCQLWWZQQX-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@H]3C2)c1F	2217185183	YVBHOXXVUWKWRH-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1ccc(OCCNC2CCC2)nc1	2217185506	YLHFVGUYIXFNBQ-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
C#CC[C@H](COC)Nc1ncccc1B(O)O	2217201559	QYEIDJKANURQIE-SECBINFHSA-N	234.064	-0.788	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)[C@H](C)CN1	2220063500	LWFPTFIJHDHOFV-WDEREUQCSA-N	248.135	-0.451	50	10	BBGE	
C[C@@]12CNC[C@]1(COc1ncccc1B(O)O)C2	2223627480	QYOSLMKGIUEIJH-NEPJUHHUSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1cccnc1NCc1ncccc1F	2223639901	TYRMKWBOYPTHTR-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
Cc1cnc(NCc2nocc2C)cc1B(O)O	2223653995	WXEJZNXFQCJRDV-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1Nc1ncccc1B(O)O	2223671877	BPQNNWQSKAYQDD-JZYVYDRUSA-N	249.123	-0.583	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@@H](CN)C1	2223679500	QJLUPCJADYUTOL-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
Cc1nc(CN(C)c2cc(B(O)O)ccn2)no1	2223679623	RRPDYLXYCMKXMT-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@@H](CN)OC1	2241263680	JASZSUVVGYHGRB-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
O=C(C#CB(O)O)N1CCSSCC1	2241468387	NHRSUUJMIBRMAE-UHFFFAOYSA-N	231.107	-0.775	50	10	BBGE	
CSC[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2241495719	LVYFRJUXPNVZGU-ACZMJKKPSA-N	217.099	-0.283	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H]1[C@@H](O)CO	2241811894	VHUBOVLEYQOPGL-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1ccc(B(O)O)s1	2243350302	ZABQSLOXXNWEEM-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
C[C@@H](CCNC(=O)C#CB(O)O)C(F)(F)F	2243361713	GCIFNKDYSUULNP-LURJTMIESA-N	236.986	-0.294	50	10	BBGE	
O=C(N(C1CC1)C1COC1)C1(B(O)O)CC1	2243365821	SQESPBKEBFQVNQ-UHFFFAOYSA-N	225.053	-0.617	50	10	BBGE	
Cc1ccc(C(=O)N2CCC2)cc1B(O)O	2243367275	QHHAALPENCUTEY-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@H]2C[C@H]21	2243378108	MPFXXRKDDHLCBI-CAHLUQPWSA-N	238.077	-0.943	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1C[C@@H]1B(O)O	2243391958	PSJQVLWUZBZSIP-BQHMLIOBSA-N	221.065	-0.070	50	10	BBGE	
CN(C)[S@@](C)(=O)=NC(=O)C1CC(B(O)O)C1	2243396475	MPTFXPGGNXEJQK-FOWFROTKSA-N	248.113	-0.660	50	10	BBGE	
CCS[C@H]1CC[C@@H](NC(=O)C#CB(O)O)C1	2243400185	WZXDTWAMHLXUHP-BDAKNGLRSA-N	241.121	-0.208	50	10	BBGE	
CCC[S@@](=O)Nc1ncc(B(O)O)cc1F	2243589857	VLZFFPBEXPEOQD-MRXNPFEDSA-N	246.072	-0.614	50	10	BBGE	
C#CCC(=O)Nc1cccc(B(O)O)c1F	2243685325	RQPDBEXHNKZGQT-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2243714013	DTUDRLZXDSUWFX-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@@H]2C[C@@H]2C)n1	2247236423	XFWIIABGAQYHMZ-YUMQZZPRSA-N	237.064	-0.195	50	10	BBGE	
NC[C@H](CO)C(=O)NN(C1CCC1)C1CCC1	2247570904	DUPQJXCGMKECJQ-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247740512	LUZPBMRRNNBLOD-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
CN(CCc1ccccc1)C(=O)C#CB(O)O	2247741311	XQVMWVKHOIWBJR-UHFFFAOYSA-N	231.060	-0.297	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ncc(B(O)O)cn1	2247745207	FEKUWIWBKKVRGZ-ZETCQYMHSA-N	237.068	-0.925	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cn(CC)c(B(O)O)n1	2247745569	LDWCVRZQPNPMAD-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CCO1	2247751510	YMBONHOKRKGAHS-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C#CCCNC(=O)c1ccc(C)c(B(O)O)c1	2247752784	VYAQAPSXMGGYEK-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)C1(B(O)O)CC1	2247757647	RDLUICZTUIHOGZ-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N(C)CCF	2247760713	MJHIPGWQYHPAKO-UHFFFAOYSA-N	242.059	-0.771	50	10	BBGE	
COCCNC(=O)c1ccc(C)c(B(O)O)c1	2247761137	RMHKBNVUMDEMKT-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
Cc1conc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247793746	ZPVIMSSNOMCVTC-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOCC2(CC2)C1	2247803337	AOHUQKWNDBYBOC-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
CC(C)(C)CN(CCO)C(=O)[C@@H]1C[C@H]1B(O)O	2247804398	GYZKZNKVEAELSZ-RKDXNWHRSA-N	243.112	-0.284	50	10	BBGE	
CCc1ocnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247808242	KIBIMXXKPLDGES-NKWVEPMBSA-N	238.052	-0.284	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1[C@@H]2CO	2247808553	LPZXVJWBQNIWEY-IGORNWKESA-N	239.080	-0.921	50	10	BBGE	
COC(=O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810615	YUHQFVQZYMHAJI-ZKCHVHJHSA-N	243.068	-0.691	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cn1)C(C)C	2247846398	GDOSEWPCJHLYOY-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
O=C(NCc1ncccn1)C1(B(O)O)CCC1	2247853831	SFYOECPQSKCESX-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
CN(CCF)C(=O)c1ccc(B(O)O)c(F)c1	2247867274	BVNAWDKVNRLUOZ-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
O=C(NC1CC=CC1)c1ccncc1B(O)O	2247874559	ROOYZNSEHKRNOZ-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
C#CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCOC1	2247879500	SZBBTOWHZBFVNH-VIFPVBQESA-N	237.064	-0.756	50	10	BBGE	
CC(C)(C)CCNC(=O)c1n[nH]cc1B(O)O	2247885125	GAVSBHULLMDTRX-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CCOC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247886420	BJYRHQUVEFMSMU-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247898816	HZXWSONZVRTQNZ-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1CC(B(O)O)C1	2248575269	AHWHQLUGAXESTP-JECWYVHBSA-N	243.068	-0.391	50	10	BBGE	
CC1(CONC(=O)c2cc(B(O)O)co2)CC1	2249432921	FEPFNHIDTHMQQB-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
CCc1occc1C(=O)NCCC#CB(O)O	2250002379	KLRVVVUIDONJRG-UHFFFAOYSA-N	235.048	-0.023	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)C1CCC1	2255517038	SHXBMFMSQGRSDE-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCCC12CC2	2255518180	IGUZZRRWYGWZLU-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N=c2cc[nH][nH]2)c1	2255689268	IOGUYQHMJQLQPI-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NN1CCCC1	2255691885	ISFVBYIUZWEZII-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC2(CCC2)C1	2255718425	ZGWFVFSCFBIRQO-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)c(F)cc1C	2258093115	WYKQVDZLTRIEOS-UHFFFAOYSA-N	249.050	-0.433	50	10	BBGE	
O=C(CCc1cccnc1)NCCC#CB(O)O	2258958931	KFYANOJHWKHYMZ-UHFFFAOYSA-N	246.075	-0.464	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2260395598	UOSVSYMKGWNRJU-OLZOCXBDSA-N	249.119	-0.288	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2C)ccc1B(O)O	2260823394	CSGWAIMDYPGIAG-KCJUWKMLSA-N	247.103	-0.053	50	10	BBGE	
CC(C)(O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370478	ZPFMXISUKFJCDY-DJLDLDEBSA-N	241.096	-0.531	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377463	RTVNCXGCNUMPGM-NLCUZPRVSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](CCC(=O)O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298463540	JJOYSAAMKYAWCF-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300146682	KQRABAGIZLQFGB-KGDYZURWSA-N	239.080	-0.779	50	10	BBGE	
Cc1nn(CCC[C@@H]2C[C@@H]2C(=O)NN)c(=O)o1	2300369293	HQAAWUHOGWNOML-SFYZADRCSA-N	240.263	-0.449	50	10	BBGE	
C[C@H](OC[C@@H]1COC2(CCC2)CO1)C(=O)NN	2301335169	DOMMWSANIYQDSZ-DTWKUNHWSA-N	244.291	-0.281	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@H]1CCO1	2302383563	RDZAEKDYWVEONB-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC12CCOCC2	2302833370	MAPFFDGIBOHPJJ-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1	2303098398	XEEDNDRPLZRDAF-ZRUFSTJUSA-N	241.096	-0.661	50	10	BBGE	
CC[C@@](C)(CN1CCN(C)C(=O)C1)C(=O)NN	2303419454	AGRVGFSISCGUEP-NSHDSACASA-N	242.323	-0.833	50	10	BBGE	
O=Cc1ccc(N2O[C@H]3C=C[C@H]2C3)cc1B(O)O	2317313292	VCLBTKYGZNJHAK-ONGXEEELSA-N	245.043	-0.372	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)CO1	2317348295	LRIUZBKVHPZXEZ-LDYMZIIASA-N	249.075	-0.232	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CC=CCO1	2317899392	VRVHXUKEEGNLIR-LBPRGKRZSA-N	248.091	-0.092	50	10	BBGE	
CC#CCNC(=O)Nc1cccc(C)c1B(O)O	2327693595	ZTBXXBXYTWOQMY-UHFFFAOYSA-N	246.075	-0.180	50	10	BBGE	
Nc1ncnc(N)c1NC(=O)CCl	3082852	NHDRUAARGRZIHN-UHFFFAOYSA-N	201.617	-0.182	50	10	BBGE	
CCOC(=O)CN(CC)CC(=O)NNC(C)=O	49949596	GLKIEBLRDFMCGE-UHFFFAOYSA-N	245.279	-0.961	50	10	BBGE	
Cc1nnc(S[C@@H](C)C(=O)NN)o1	82471774	HFXFWXUPRBZEIE-VKHMYHEASA-N	202.239	-0.151	50	10	BBGE	
CO[C@H]1O[C@@H](CCl)[C@H](Cl)[C@@H](O)[C@@H]1O	97975385	VPDVIMQPZYMQKN-ZYNSJIGGSA-N	231.075	-0.074	50	10	BBGE	
NNC(=O)c1ccc(OCCn2cncn2)cc1	110579141	XPGSKAVJAGQOAN-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1(O)CCCC1	124221382	YAUBRMXCIDMXEA-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
CN1CCN(C[C@@H](O)CBr)CC1	156298153	YWQPGOGMDJYFOR-QMMMGPOBSA-N	237.141	-0.010	50	10	BBGE	
O=c1cccnn1Cc1ccc(F)c(B(O)O)c1	203470446	AJWNIELZQRCSDP-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCCO1	232419602	KYCVWGAXZOVCFK-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](Sc1nccnc1N)C(=O)NN	233901440	FDSWLLSGQRVISH-RXMQYKEDSA-N	227.293	-0.081	50	10	BBGE	
NC(=O)[C@H](Cl)CC[C@@H](Cl)C(N)=O	238553189	CVILAQBVUOASEM-QWWZWVQMSA-N	213.064	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1CN(C)C	251578993	XBVSTBUUHWNTGL-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]([C@H](C)O)C1	252780801	QYJFFDAOVICCCC-AATLWQCWSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1cc(F)ccc1F	258956905	FZLWNIJMPDWGEW-QMMMGPOBSA-N	215.203	-0.176	50	10	BBGE	
COc1cnn(C[C@H]2CC[C@@H](C(=O)NN)O2)c1	306074951	YQMIBCUUFNWPHY-APPZFPTMSA-N	240.263	-0.571	50	10	BBGE	
COC(=O)[C@@H]1ON[C@H](C)[C@H](O)[C@@H]1Cl	306172651	AGDBPIAWOSUAEW-DPYQTVNSSA-N	209.629	-0.580	50	10	BBGE	
Cn1[nH]cc(C(N)=O)/c1=N\C(=O)CCl	307425139	OLXFQASKIGDYFH-YRNVUSSQSA-N	216.628	-0.882	50	10	BBGE	
Nc1ccc(O)c2scc(B(O)O)c12	307429309	ISBMVVZSROXBGK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COC[C@H]2Cl)nn1	307622318	HBECOKJNEBHKIU-IYSWYEEDSA-N	230.655	-0.449	50	10	BBGE	
O[C@H]1[C@@H]2O[C@@H]2[C@H]2O[C@H]2[C@H]1Br	307709326	LVCQLWWLDHWMCB-PQRKRRIQSA-N	207.023	-0.341	50	10	BBGE	
O=c1[nH]c2ccc(/C=C/B(O)O)cc2[nH]1	307744025	NTTKGBVSKAFQJT-ONEGZZNKSA-N	203.994	-0.119	50	10	BBGE	
COC[C@H](C)CN(C)[C@@H](C)CC(=O)NN	309077912	MVAXWVNCYXGINW-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)[C@H]1CCCO1	309476977	SDAWSYFPWNJJNQ-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
Cc1nccn(CC(C)(C)C(=O)NN)c1=O	380852878	YBNNTNPBKZODCJ-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCN1	381596986	MBINVVVYEFHITE-GJMOJQLCSA-N	211.265	-0.458	50	10	BBGE	
C=CCON=Cc1ccc(B(O)O)cc1	389717095	OHWQLQQJFCRPDV-UHFFFAOYSA-N	205.022	-0.097	50	10	BBGE	
COC1(C(=O)NN)CCN(C(C)=O)CC1	389737537	UURPLEAWQKNAHC-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(O)C2)cc1	394928326	LFFMUSLNLYVEIX-UHFFFAOYSA-N	221.260	-0.533	50	10	BBGE	
CC[C@H](CO)N(C)Cc1nc(C(=O)NN)co1	395452604	UWKKGEPOELSRBI-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
CN1CCC[C@H]1COc1cccc(B(O)O)c1	395644553	GSTNQXAGVWLYTK-NSHDSACASA-N	235.092	-0.161	50	10	BBGE	
CC(C)(CCN1CCOC1=O)C(=O)NN	395715536	PTMRSWKHJLYKNF-UHFFFAOYSA-N	215.253	-0.155	50	10	BBGE	
N#Cc1cc(CO)cc2sc(B(O)O)cc12	396226043	RGWSSMWSFHUGAD-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(CO)c2ccsc2c1B(O)O	396237269	CSHWSKJJSZTHMT-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CO[C@@]1(CO)CCN([C@H](C(=O)NN)C(C)C)C1	402612379	PVDKHBPVOSSGPO-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@H]1CCOC1	404908610	GUTRLDKYSCUPDO-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
Cc1ccoc1C(=O)Nc1cccc(B(O)O)n1	405029161	NRQDHADKBXFLSM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](CO)SCC(F)(F)C(=O)NN	685957888	KIDGFOCXGHCAHK-BYPYZUCNSA-N	214.237	-0.274	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)C(=O)NN)[C@@H]1CO	688738650	PNLTZDIRAVDTKO-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
NC(=O)[C@H]1COCCN1C(=O)OCCl	692862572	BQCHEQPIEWKHBI-RXMQYKEDSA-N	222.628	-0.495	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1COC2	695049313	OCECBCXUGBOEEI-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CC[C@@H](C(=O)OC)N1[C@H]2CC[C@H]1C(=O)OC2=O	703439853	QUHNWRYGWUOWFM-FXQIFTODSA-N	241.243	-0.146	50	10	BBGE	
OB(O)c1ccn(Cc2ccc(F)cc2)n1	703652163	VXSAPEXGPKLLIH-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
NNC(=O)CCCN1CC(OCC(F)F)C1	707396372	JRGCTCGYYXBHDK-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
N#CC1(O)CCN(C(=O)NCCC(=O)O)CC1	709358322	UHQHIONOJZFEIP-UHFFFAOYSA-N	241.247	-0.479	50	10	BBGE	
COC[C@H](CCl)NCCn1cnnn1	712591531	JIPOEBWQXZGQTG-ZETCQYMHSA-N	219.676	-0.484	50	10	BBGE	
O=C(CN1CCCC1=O)NNC1=NCC(O)=C1	747630216	NQLZRLQUNIYNOU-UHFFFAOYSA-N	238.247	-0.916	50	10	BBGE	
COCCCNC(=O)NNC(=O)C1(F)CC1	843775102	PCTVXSDHCHRQPP-UHFFFAOYSA-N	233.243	-0.145	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNc2cnnn2C)C1	897844956	BPPMCIWKULCVKZ-BQBZGAKWSA-N	225.252	-0.317	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	911444627	GOZJJZCLOIDJDW-HRDYMLBCSA-N	243.307	-0.768	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCc1cnn(C)n1	1135555051	JDBHHPSNVQGRDL-UHFFFAOYSA-N	239.279	-0.449	50	10	BBGE	
COc1ccccc1NNC(=O)Cn1ncnn1	1138431715	IRZVHPRJDULMKU-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
CS(=O)(=O)CS(=O)(=O)N1CC(Cl)C1	1260588414	IIGZODSGIVNPAV-UHFFFAOYSA-N	247.725	-0.759	50	10	BBGE	
CN(NC(=O)Cc1cnn2ccccc12)C(N)=O	1566497343	QOTKMCRMZUZBJD-UHFFFAOYSA-N	247.258	-0.082	50	10	BBGE	
O=C(O)[C@@H](O)CN[C@H]1C[C@@H](Br)C1	1877974728	ADWFIJCCABHKGR-JKUQZMGJSA-N	238.081	-0.053	50	10	BBGE	
O=C(O)[C@@H](O)CNC1CC(Br)C1	1880963799	ADWFIJCCABHKGR-WRVKLSGPSA-N	238.081	-0.053	50	10	BBGE	
CNCCCSCC(F)(F)C(=O)NN	1891104865	KRJVFVAMQBEVOY-UHFFFAOYSA-N	227.280	-0.046	50	10	BBGE	
CCS(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1891516047	DBKVLMBWSAMOPR-SSDOTTSWSA-N	221.087	-0.725	50	10	BBGE	
O=C(NCC[C@@H](O)C(=O)O)[C@@H]1C[C@H]1Cl	1893475446	UJYHVIVOSUORKX-HSUXUTPPSA-N	221.640	-0.435	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)C1(B(O)O)CC1	1893584586	VSGLDGKUAAVGHT-IZLXSQMJSA-N	201.006	-0.390	50	10	BBGE	
C[C@]1(O)CN(C(=O)CCCl)CC[C@@H]1O	1901104764	JFEMDYCYWDEVNH-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@@H](C)C(=O)NN	1901234645	ZZZIBPLFCLMERL-MRVPVSSYSA-N	230.312	-0.978	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(CN)C[C@H]1C	1901341308	SPRYAVNTWUFANZ-VXNVDRBHSA-N	249.336	-0.716	50	10	BBGE	
CN(CCCl)S(=O)(=O)N1CC[C@H](O)C1	1914174629	AEBVISHGEZTTEU-ZETCQYMHSA-N	242.728	-0.532	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1C[C@@H](F)CN1	1923402550	MUGJRGJCUVCNCQ-DMTCNVIQSA-N	243.160	-0.604	50	10	BBGE	
Cn1ncc(C=NNC(=O)C(F)(F)F)n1	1923404180	MVHNKMOVYCBQIR-UHFFFAOYSA-N	221.142	-0.173	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2CC1	1928213880	XGWZMNQAQXJPIU-JIGDXULJSA-N	211.265	-0.329	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1CO)OCCl	1928734561	AYUGRDVKJPKFNT-RITPCOANSA-N	209.629	-0.084	50	10	BBGE	
O=S(=O)(CCCl)N[C@H](CO)CCCO	1928822320	GEDXIWMCINRWOE-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NNC(N)=O)S1	1931580811	JIRABTREPSQCTR-UHNVWZDZSA-N	203.267	-0.030	50	10	BBGE	
CC[C@H]1CCOC[C@H]1N(C)CC(=O)NN	1932312673	KIMYXSXLPUXCBU-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C1CSC1	1936305583	APTSGHPOSUIGFU-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSCCCON)O1	1936841436	NNAKYOGRQTWDCO-JGVFFNPUSA-N	249.336	-0.463	50	10	BBGE	
CCCn1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941093196	OQOQXZQAQNBANP-DTWKUNHWSA-N	238.291	-0.314	50	10	BBGE	
N#CC1(O)CCN(CC2(O)CCNCC2)CC1	1942974177	MOCFYHZHABOXMH-UHFFFAOYSA-N	239.319	-0.549	50	10	BBGE	
C[C@@](N)(C(=O)N1CCC(O)(C#N)CC1)C(F)F	1947354262	LJAPXJQJUPJURH-VIFPVBQESA-N	247.245	-0.154	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(C[C@@H](O)CCl)C2	1955550113	VDVWPJXSMPLXIJ-VCQFTWBDSA-N	221.684	-0.988	50	10	BBGE	
NC(=O)NN=C1C[C@@H]2CS(=O)(=O)C[C@H]2C1	1958905432	HJOUIXJWSMFMIK-PHDIDXHHSA-N	231.277	-0.535	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@H](C)CCl)C1	1958917064	FWORQARPDGLXAF-ZCFIWIBFSA-N	234.683	-0.426	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H](O)C1)C(=O)NN	1961136679	QVPIQJXXOKGLRM-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCN(OC)c1nc(C)ccc1B(O)O	1961705426	BMHKBHOMPMSHES-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
CCOC(=O)C(C#N)=C[C@H]1COCCN1	1961740885	UCVQYQKTDSUGGU-VIFPVBQESA-N	210.233	-0.012	50	10	BBGE	
COC[C@H](OC)C(=O)N1CCC(B(O)O)CC1	1964499771	CHWLUQPUZWIJJD-VIFPVBQESA-N	245.084	-0.887	50	10	BBGE	
COC1(CC(=O)N2CC[C@@H](B(O)O)C2)CC1	1967589183	XJOWLFBZBAOKIG-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CO[C@H]1C=C[C@H](N2CC(=O)OC(=O)C2)C1	1974715702	ZSZQRLJOCYCMDQ-YUMQZZPRSA-N	211.217	-0.285	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CCC(O)CC1	1976630228	XCMQROFBTRVQFO-RTBKNWGFSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(C)[C@@]1(CO)CCN(CC(=O)NN)C1	1976923130	ZIMGNWAXVCGFON-NSHDSACASA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CCCC[C@H]21	1980829199	UVSCJZHLACNDTQ-HTQZYQBOSA-N	243.332	-0.137	50	10	BBGE	
CN(CC(C)(F)F)c1ncccc1B(O)O	1981423609	GVLODTOVVDCGBU-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H](F)C1	1981424591	VVWBWMDGOVPBKF-QMMMGPOBSA-N	224.044	-0.300	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)C1CSC1	1981469462	STOMYDLCZIAFSA-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@H]1CF	1985768393	YDPQCGDOCLAXGG-DJLDLDEBSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC(O)C[C@H]2C1	1986732595	SIGLRRNYOBTVHO-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CC(C)N1[C@H](C)CN(CC(=O)NN)C[C@H]1C	1987293288	GBQJYBHLQKTIGI-NXEZZACHSA-N	228.340	-0.221	50	10	BBGE	
C[C@H]1OC2(CN(C)C(=O)C(=O)NN)CC1C2	1989835055	UZRKPNOCBUPCLT-AFKSGGFBSA-N	227.264	-0.998	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CC1(F)F	1991327886	SDTPVFZQLHASGY-FSPLSTOPSA-N	231.007	-0.141	50	10	BBGE	
COc1nc(=NC[C@H]2C[C@H]2Cl)nc(NN)[nH]1	1991438276	LEXMTVYQXFMDGD-RFZPGFLSSA-N	244.686	-0.373	50	10	BBGE	
CO[C@H]1CN(C)C[C@@H]1NC(=O)C=CC(=O)Cl	1991647390	CVFMGLZGBOBSEA-YUMQZZPRSA-N	246.694	-0.247	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCCc1nn[nH]n1	1991647586	FWVBAMNSIDWXID-UHFFFAOYSA-N	243.654	-0.430	50	10	BBGE	
N#CCCN(CCC#N)C[C@H]1C[C@H]1C(=O)NN	2003737018	WRCNVBNWTATNPH-NXEZZACHSA-N	235.291	-0.258	50	10	BBGE	
CCCN1CCN(CCCC(=O)NN)C(=O)C1	2004288792	FNLZYNMVMKJPCJ-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@H]1C(=O)NC2	2004790555	BGUJXOJLTCEEBQ-IUCAKERBSA-N	240.307	-0.891	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)CC(C)(C)C1)C(=O)NN	2004908462	CGANEUMMVNCRGS-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
Cc1nc(OC[C@H]2CCOC2)ccc1B(O)O	2004935712	PEURNMPQQRHMQA-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
CC[C@@H](C)CN(C)c1ncnc(C)c1B(O)O	2004973187	QLIMWUNHDQCYBI-MRVPVSSYSA-N	237.112	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H](C)C2)n1	2005014089	GGFWNHDTZYKLIW-QMMMGPOBSA-N	235.096	-0.299	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C(F)F)ccc1B(O)O	2005018273	QZCMWHSYYFODER-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
Cc1ccnc(OCCCN(C)C)c1B(O)O	2007024048	MQIUBUGNNZEPON-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
CN(CCC1(C)CC1)c1ncncc1B(O)O	2009610128	PBAZLSPDKKWIHN-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
C[C@H](F)[C@@H]1CCCN1c1ncncc1B(O)O	2010591393	MJWIZWZQIFAMSV-CBAPKCEASA-N	239.059	-0.517	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@H](C1)O2)C(=O)C(=O)NN	2010674561	MLOAXIDGOCJDGG-PSVAKVPMSA-N	241.291	-0.608	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H](COC)C(=O)NN)OC	2013417763	MRVBOFSFXFOLEK-ONGXEEELSA-N	247.339	-0.262	50	10	BBGE	
COc1cnccc1C(=O)NCC=CB(O)O	2020057933	DQGHFXZYPWIPET-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2021107405	RGJZZRVYSNMSBH-WHUPJOBBSA-N	243.018	-0.591	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CCO)CCC1	2025456951	BSOKTWSAOZBACH-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2026846645	BQOWABITCQYJIC-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@@H]1CCN(C)C1	2052459255	BPDFGEKLOFCQGB-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1cncnc1N1CC2(CCCCC2)C1	2052470737	HZGWMGBMBVARCB-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
Cc1nc(-n2cnc(C(C)C)n2)ccc1B(O)O	2052597029	MYKGCJFSFUJTBZ-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)c1ccc(B(O)O)cn1	2056383433	IOYWCYXIFRZEHP-HOSYDEDBSA-N	248.091	-0.768	50	10	BBGE	
O=c1c(B(O)O)cccn1CCc1ccccn1	2058157251	WFHOWBXNGJWFJS-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
CCc1cc(B(O)O)c([N+](=O)[O-])cc1F	2060091108	RPLVFOQABWPHNP-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])cc(B(O)O)c1Cl	2060110578	UWNKYEALKXJJDZ-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
O=C(NC[C@@H]1CCOC1)c1ccccc1B(O)O	2079008628	AIMWRNUAHMNPQL-VIFPVBQESA-N	249.075	-0.867	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](N=c2[nH]ncn2C)C1	2209804520	FOLPDYTYCMKIRI-BQBZGAKWSA-N	215.688	-0.430	50	10	BBGE	
OB(O)c1csnc1CN1CC(C(F)F)C1	2211139081	CTLBZVXVWKMCRU-UHFFFAOYSA-N	248.063	-0.480	50	10	BBGE	
CN1CCC[C@H]1COc1nc(B(O)O)cs1	2211860353	DKKKQPAPMCIAGF-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2C[C@H]2C)cc1B(O)O	2212604989	VXELQBVQSIWDQH-GMSGAONNSA-N	220.081	-0.086	50	10	BBGE	
C=CCC[C@@H](C)Nc1ncc(B(O)O)cn1	2212614625	FTGHBKZIXIUTKA-MRVPVSSYSA-N	221.069	-0.077	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	2212898243	CNIOUBVVCWMWHO-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCNC1	2214597839	ZYRYOAKBQANJJM-LBPRGKRZSA-N	234.108	-0.840	50	10	BBGE	
NNC(=O)C(F)(F)Oc1cccnc1C(N)=O	2214882598	IVCXMLXQEYHPAV-UHFFFAOYSA-N	246.173	-0.858	50	10	BBGE	
CN1CC[C@H](N(C)CC2(C(=O)NN)CCC2)C1	2216527980	JXXHQRAZSKDRGP-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC(F)(F)C1(Nc2ncc(B(O)O)cn2)CC1	2217174209	XJOOBORAQHMFKT-UHFFFAOYSA-N	243.022	-0.244	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)ccn2)CCCOC1	2217177522	JWNSYVZWBWNRTN-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
Cc1nnc(CNc2cc(B(O)O)ccn2)o1	2217178026	QITCCORJRXVIHG-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
COCC[C@H](C)CNc1ncccc1B(O)O	2217180630	VJNMRUFWYZQYGA-VIFPVBQESA-N	238.096	-0.154	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCO[C@@H]32)c1F	2217182636	FSMUAPJETXORIZ-NGESMGFYSA-N	238.027	-0.900	50	10	BBGE	
C[C@H]1C[C@@H](CNc2ncccc2B(O)O)CN1	2217200818	MFPSFUAHRMIRLQ-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
Cc1conc1CNc1ncc(B(O)O)cn1	2217204625	MGNVYJWNKKZZOO-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCC[C@@H](C1)OC2	2223628208	PVWZYJTYPDAOCK-CABZTGNLSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1cccnc1OC[C@]12CC[C@H]1CNC2	2223651585	XVOOFIAGTIUTRH-JOYOIKCWSA-N	248.091	-0.860	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)c1cc(B(O)O)ccn1	2223677893	USDPSVXMMLTOOT-WVSHTKLVSA-N	248.091	-0.623	50	10	BBGE	
O=C(Nc1cnns1)[C@H]1C[C@@H]1B(O)O	2241496508	TZIRSSPZEIBDMV-IMJSIDKUSA-N	213.027	-0.661	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)C1(B(O)O)CC1	2243363944	OUXBQYFELGVYII-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)C1(B(O)O)CC1	2243365747	RLHKXQOKKOLOIM-BWZBUEFSSA-N	225.053	-0.713	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](F)[C@@H](F)C1	2243382274	MPYXSPYXCXNNSL-YWIQKCBGSA-N	233.023	-0.242	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2243392804	XGIUNDLLZOCZSX-BGZDPUMWSA-N	226.085	-0.894	50	10	BBGE	
C=CCN(C(=O)C#CB(O)O)[C@H](C)COC	2243400100	VWCMOSKJVQOTQA-SECBINFHSA-N	225.053	-0.949	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(B(O)O)s1	2243407245	NZUJTVWALCKEMN-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1sccc1B(O)O	2243407524	ULDQRRWABGBUDN-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CC[C@@H](CO)CNC(=O)C1(B(O)O)CCC1	2243411339	RQQFFUFEMBNCDT-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
NC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2243416186	IGGSMQIXKBXMHL-HRDYMLBCSA-N	226.085	-0.907	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1occc1B(O)O	2244143307	JKYNWZXDAJXZLN-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCCCN(C)C(=O)c1cocc1B(O)O	2244205157	GNEADWFYAFJTGZ-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)co1	2244221303	LQAYASOPGSMUHH-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
O=C(C[C@@H]1C=CCC1)NCCC#CB(O)O	2244550222	OLNGRYMNVVNVTL-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
C[C@@]1(N=c2[nH]nc(CCCl)o2)CCNC1=O	2245152019	RGDBMBMTYOJHHA-SECBINFHSA-N	244.682	-0.037	50	10	BBGE	
COc1cc(CNC(C)=O)ccc1B(O)O	2245261948	HQWQNUDNVZEQPI-UHFFFAOYSA-N	223.037	-0.989	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1coc(B(O)O)c1	2247735431	YQWMMBDRYKPULM-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
O=C(Nc1ccsc1)c1ncc(B(O)O)cn1	2247746369	XWEXMMKKSNMPED-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccsc1B(O)O	2247748632	GYMLEEQGRGOJND-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C=C(F)CNC(=O)c1cc(C)ccc1B(O)O	2247751708	AYFNRPXEVVQEQV-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
C=CCC1(O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247784770	AEJWPCGDBSITAM-DTORHVGOSA-N	239.080	-0.611	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]1	2247789884	CKVBKOSMZAYSQY-OCAPTIKFSA-N	237.068	-0.413	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(CCO)CCC1	2247810326	WKPXPJGXJDNRBY-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CCC1(CNC(=O)c2ccoc2B(O)O)CC1	2247868313	FKZDHUZYHNFOCF-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)C1CC(B(O)O)C1	2247891601	KTOMTUYFWKOSSY-JIIGURBLSA-N	239.080	-0.608	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247896936	MBMXMXGXHQLVEH-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@]12CO[C@](CF)(C1)C2)[C@H]1C[C@H]1B(O)O	2247898182	AZMYPUCIXMCERM-MBLNEYKQSA-N	243.043	-0.763	50	10	BBGE	
O=C(NCC1(F)CCOCC1)[C@@H]1C[C@@H]1B(O)O	2247900024	SHDMXFZFGKHSRF-SFYZADRCSA-N	245.059	-0.516	50	10	BBGE	
C#CCN(C)C(=O)Nc1ccc(B(O)O)cc1	2247971791	OWIXVECNPDQLLO-UHFFFAOYSA-N	232.048	-0.537	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)[C@H]1C(=O)O	2248573441	DWEDXYIICCVCFY-LURJTMIESA-N	241.052	-0.685	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1cocc1B(O)O	2249415449	DYPFQAFDFMIFMX-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1coc(B(O)O)c1	2255452923	NCIQEAMICZUUHF-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1ccoc1B(O)O	2255466020	RZSWSHRFNZKNDA-PRHODGIISA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2255681770	WYWXSGCDQUXAST-LNRQSERFSA-N	246.075	-0.921	50	10	BBGE	
Cc1cc(NC(=O)c2nc[nH]n2)ccc1B(O)O	2256601223	OZUXKKOCKLCHNQ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@H]1CC[C@H]1C(=O)NN	2298167336	INJZRQQDZCGROP-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369362	RRSCOKMUWQMSJS-DKIAZLNASA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)CN1C	2298369848	HKUVDOMVABSFOF-AXTSPUMRSA-N	240.112	-0.600	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1C	2298371869	YHZPXAAFAJSWAQ-AXTSPUMRSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298374852	PYIQKFIEQLHQTM-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
C[C@@](NC(=O)[C@@H]1C[C@@H]1B(O)O)(C(=O)O)C1CC1	2298463586	MYFDSQVSYBTBLH-FWWHASMVSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1cc(B(O)O)c[nH]1	2301282155	XTSHJWDHLLGDGE-BQBZGAKWSA-N	236.080	-0.531	50	10	BBGE	
COCCCNc1ccc(C=O)c(B(O)O)c1	2301452283	FUTPRTNZPBRHOP-UHFFFAOYSA-N	237.064	-0.373	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303111201	HBRCQBJJWTZMEO-GXSJLCMTSA-N	240.112	-0.454	50	10	BBGE	
CCOCCCN=c1cc(B(O)O)c(F)c[nH]1	2303847221	FVPPBDYVHUGCOF-UHFFFAOYSA-N	242.059	-0.839	50	10	BBGE	
C=CC[C@H](Oc1cc(B(O)O)ccn1)[C@H]1CCN1	2314243597	OQBNTAIVAGKUAT-MNOVXSKESA-N	248.091	-0.553	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCCN1	2317164928	FWWOUXUCXJBYFQ-LLVKDONJSA-N	245.091	-0.598	50	10	BBGE	
CCN(C1CCNCC1)[C@H](C)C(=O)NN	82470777	PRJHDEKLOOAJLW-MRVPVSSYSA-N	214.313	-0.561	50	10	BBGE	
C[C@H](CN)SCc1cc(C(=O)NN)no1	85303051	BPTCVLVZMYYBCD-RXMQYKEDSA-N	230.293	-0.142	50	10	BBGE	
NNC(=O)CCCCSC[C@@H](O)CO	86661868	OACBHHHODJCBPZ-ZETCQYMHSA-N	222.310	-0.767	50	10	BBGE	
NNC(=O)CN1C(=O)C(=O)c2cccc(F)c21	94613694	HTBYTOCDEICOPB-UHFFFAOYSA-N	237.190	-0.655	50	10	BBGE	
C[C@H](C(=O)NN)n1c(=O)cnc2ccccc21	113188699	OUQHYDBJXOIBJB-SSDOTTSWSA-N	232.243	-0.053	50	10	BBGE	
CC1(C)C[C@H]1C(=O)NNC(=O)C(=O)NC1CC1	152161343	MOXPYDUQEKYMHH-ZETCQYMHSA-N	239.275	-0.542	50	10	BBGE	
CN(C)c1cnn(C[C@H](O)CCl)c(=O)c1	165500510	AARBFULRBRIWQK-MRVPVSSYSA-N	231.683	-0.091	50	10	BBGE	
C[C@@]1(C(=O)NCCCl)CNC(=O)C1	170247013	AFVIDXIKFLWZDX-QMMMGPOBSA-N	204.657	-0.132	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@H]1CCCO1	199005415	UDVQLNGFRIQVQQ-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
CCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	202352118	LVJQJXNVLIWBJD-JGVFFNPUSA-N	214.074	-0.883	50	10	BBGE	
COC(=O)C(C)(C)c1cncc(B(O)O)c1	205825213	HVFHFEPSSISTOV-UHFFFAOYSA-N	223.037	-0.788	50	10	BBGE	
C[C@H](NC(=S)[C@H]1CCCN1)B(O)O	210103453	PADUPDZPAMBNNR-NTSWFWBYSA-N	202.088	-0.944	50	10	BBGE	
CCN(C)C(=O)CNS(=O)(=O)CCCl	221801165	FGGYOEFRHXUPGM-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2[C@H](O)CC[C@H]2C1	228125074	CQZHPCBHGLEGFP-LADJIXMOSA-N	241.335	-0.296	50	10	BBGE	
CCS[C@H]1CC[C@H](NC(=O)C(=O)NN)C1	233872894	VKLNUNSOVVPVHG-BQBZGAKWSA-N	231.321	-0.233	50	10	BBGE	
OB(O)c1cnc(Br)cc1F	238631575	YISMWZPPSHFVNN-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
CCN(CCO)[C@@H](C)[C@H](C)C(=O)NN	252615061	YSAWRNXYCCWUEH-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)[C@H](C)C(=O)NN	252743391	MBIHZBTYRGNRPW-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
C[C@H](CSCC(=O)NC1CC1)C(=O)NN	300809378	GWZBVYSUJFXNRR-ZCFIWIBFSA-N	231.321	-0.376	50	10	BBGE	
CC(C)(CN1CCOCCC1=O)C(=O)NN	304639892	WPBIUTAXMPKLDH-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](CO)[C@@H](O)C1	306199142	RDARYQNEIXMNDR-FXQIFTODSA-N	204.657	-0.598	50	10	BBGE	
CCCc1ncc(B(O)O)c(Cl)n1	306209816	INORNGFEUGYUBS-UHFFFAOYSA-N	200.434	-0.238	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	381638093	OSGLEJHPHIWCBB-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1ncccc1O[C@H]1CCCCO1	390365849	UEJIHFKOULYGFL-VIFPVBQESA-N	223.037	-0.333	50	10	BBGE	
OCc1c(B(O)O)cc(O)c2sccc12	396335284	DGOCYMRELNEURU-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC(F)(F)C1	404779245	BLEBTCFXFLWHPF-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)Nc2ccc(B(O)O)cc2)O1	404980636	NVMMYOXFXALGHU-KCJUWKMLSA-N	249.075	-0.128	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1[C@H]2CCC[C@H]21	404996938	HGCYUFAXKDDNGN-JZYVYDRUSA-N	246.075	-0.254	50	10	BBGE	
COC(C)(C)C(=O)Nc1ccccc1B(O)O	405011316	UDULHMUYPWJMLT-UHFFFAOYSA-N	237.064	-0.270	50	10	BBGE	
C[S@@](=O)Nc1ccc(Cl)c(B(O)O)c1	405020754	GXWKTANBMINIPR-CQSZACIVSA-N	233.485	-0.275	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	405021572	FQSMFLPGZNSQIR-SVRRBLITSA-N	220.037	-0.644	50	10	BBGE	
C[C@H](CN1CCC[C@H](CN(C)C)C1)C(=O)NN	405143858	WSADJMFWYPIHDR-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@@H](C)[C@@H](O)C2)C(=O)NN	686194228	VUWNILPMPLIOLN-UVOCVTCTSA-N	241.335	-0.154	50	10	BBGE	
COC1CCC(n2ccc(B(O)O)n2)CC1	686370341	RNZMIPKLCAOVIU-UHFFFAOYSA-N	224.069	-0.307	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(N2CCCC2)C1	697800351	KKFQZGSYBBGRPE-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1Cl)c1cnn[nH]1	706689114	WONBERVSAYFHLO-WDSKDSINSA-N	230.655	-0.069	50	10	BBGE	
CCC[C@@H]1CN(CCC(=O)NN)CCO1	708948787	ZEZRZTMDQQMCFN-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCOC(=O)N1Cc2cccc(B(O)O)c2C1	713267779	CUUUEFWRDWAADX-UHFFFAOYSA-N	235.048	-0.162	50	10	BBGE	
CCOC1CC2(C1)C[C@@H]2NC(=O)C(=O)NN	721254467	GKKQIZYTSSANDM-DSQUFTABSA-N	227.264	-0.950	50	10	BBGE	
CCNC(=O)NNC(=O)C(C)(C)OC	730773879	YTSJOAIECIPTPE-UHFFFAOYSA-N	203.242	-0.238	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NN(C)C(N)=O	802961495	UQVGQGDSYHZIGV-RQJHMYQMSA-N	215.253	-0.157	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862892300	BKTQJSWSOSOXOA-GJMOJQLCSA-N	228.248	-0.752	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)c1ccnnc1	1116405401	SLGUZWFJPLQFQI-UHFFFAOYSA-N	235.247	-0.169	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N(C)CC(=O)NC	1135769550	AFXMOWCMYVCWMA-FPLPWBNLSA-N	225.248	-0.365	50	10	BBGE	
CC1CN(Cc2cscc2B(O)O)C1	1231945042	BRIXUFQSHDQYAY-UHFFFAOYSA-N	211.095	-0.120	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cnn2ccccc12	1318909165	KDBPTDOHWZVDRJ-UHFFFAOYSA-N	246.226	-0.043	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)CC#N	1328087424	YKCZQHNSBUTPEF-ZETCQYMHSA-N	240.263	-0.792	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@@H](C)NC(N)=O	1332879641	SYPVJKIBZLOHME-ZCFIWIBFSA-N	245.283	-0.828	50	10	BBGE	
Cn1nc(C(=O)NNc2cccnn2)ccc1=O	1566757431	SWNNPMQQVJVRIH-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3O)[C@@H]2C1=O	1615949527	MLOSMCLLMVPMSJ-CIAXFZGJSA-N	229.663	-0.165	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](F)C[C@@H](O)C1	1878295992	URRZMBAAWSBPEF-NTSWFWBYSA-N	231.676	-0.083	50	10	BBGE	
O=C(CCl)[C@H]1CNCCS1(=O)=O	1881420838	DBLPQIHPRVFVJU-ZCFIWIBFSA-N	211.670	-0.819	50	10	BBGE	
C[Si](C)(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N	1882033489	STHPQLYWEWXPMA-NKWVEPMBSA-N	223.370	-0.038	50	10	BBGE	
O=C(NNCCO)c1n[nH]cc1Br	1883044725	WZNYIPZZAXOZED-UHFFFAOYSA-N	249.068	-0.601	50	10	BBGE	
O=C(CCl)N[C@@H]1CCOC[C@@H]1CO	1883240937	ROGZMFHZAFGHEK-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
C[C@H](O)CNCCNC(=O)[C@@H]1C[C@@H]1Cl	1893453923	RRDWDQSHTPNGKD-RNJXMRFFSA-N	220.700	-0.300	50	10	BBGE	
O=S(=O)(CCCl)N[C@]1(CO)C[C@H](O)C1	1893760926	FEDYMSKVZPSIOZ-KNVOCYPGSA-N	243.712	-0.970	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2COCC[C@@H]21	1896892153	BCCAZVACWLYNGP-KYXWUPHJSA-N	225.292	-0.667	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCC[C@H]1N)S(C)(=O)=O	1901340578	HDYJCKVXFZAXMV-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@]23CCOC3)C1	1902506083	OXALDFKKKXPUGX-AXFHLTTASA-N	225.097	-0.038	50	10	BBGE	
C#CC[C@H](C)Nc1cc(B(O)O)c(F)cn1	1903010208	NBHUTTQCGJFYHN-ZETCQYMHSA-N	222.028	-0.276	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1CC[C@H](C(=O)NN)O1	1913513236	DEBZLTNBKUJLGV-NKWVEPMBSA-N	235.309	-0.749	50	10	BBGE	
CN(CCCl)S(=O)(=O)N1CC[C@@H](O)C1	1914174628	AEBVISHGEZTTEU-SSDOTTSWSA-N	242.728	-0.532	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CC[C@@H]21	1924374912	MJNLEMSGIWRHCL-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
CCCOCCCn1ccc(B(O)O)n1	1929776881	IABQRFXGNTXZFR-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
NNC(=O)N1CC[C@@H](O)C(F)(F)CC1	1930422786	PGBHFHVGTVYJPN-RXMQYKEDSA-N	209.196	-0.338	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C(C)(F)F)C1	1931485092	OVNUDJOIYJXVTF-RXMQYKEDSA-N	207.224	-0.048	50	10	BBGE	
COCCN(CCF)CC(F)(F)C(=O)NN	1935927813	FGDFUPQZLBHWGA-UHFFFAOYSA-N	243.229	-0.471	50	10	BBGE	
CC(=O)c1cnn(CC(F)(F)C(=O)NN)c1	1935940838	FETPPGPDGGIXDF-UHFFFAOYSA-N	232.190	-0.289	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1F	1937151812	CBDFMPBRHOXACR-LURQLKTLSA-N	233.287	-0.330	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC(F)(F)CO	1938128992	YEQFGEJONOIIRH-RNFRBKRXSA-N	239.266	-0.440	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)CCOCC(=O)NN	1941772884	OWKRFQFUAZPCDL-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CN1CCC(C)(C)[C@@H](CO)C1)C(=O)NN	1943839720	BWUVTWAXXPTMEZ-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944603613	GUXGXICGOCKECN-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(CO)CCN1Cc1ccc(C(=O)NN)o1	1947985321	HJHFNINBQHIHDL-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](CO)[C@@H](C)O	1954232465	PLSMRJNJAPQVJV-RRKCRQDMSA-N	209.673	-0.138	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C[C@H](O)CCl	1954822097	JUPTUTWTAHIUKR-NKWVEPMBSA-N	208.689	-0.218	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)CC1(F)F	1955224253	XMGQOJAVMCXNOU-SCSAIBSYSA-N	207.180	-0.910	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)C[C@@H]1CO	1956256413	NRRAMRAOFOGIBU-RKDXNWHRSA-N	222.716	-0.806	50	10	BBGE	
CCOC1(CO)CN(C[C@@H](O)CCl)C1	1957022591	YZIVFSDNWOSBOT-QMMMGPOBSA-N	223.700	-0.331	50	10	BBGE	
CC(C)OC[C@H]1CCN(C(=O)C(=O)NN)C1	1976188974	QFRODKLLSYAWIW-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1976819645	ABWAUFPLSHXOFA-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CC(F)(F)CC(=O)N[C@@H](CB(O)O)C(=O)O	1976992442	RROOMAGCQOCNFD-BYPYZUCNSA-N	238.983	-0.926	50	10	BBGE	
C[C@H](CN1CCn2cccc2C1)C(=O)NN	1980957085	LBKSRWMDGOODFS-SECBINFHSA-N	222.292	-0.070	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	1980981461	VUTAOHVZUGXYND-WCABBAIRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)CC(C)(C)C1	1981411967	PXROENWKOHEDGW-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]2CF)nc1	1981413627	IWRRHDZEYWCZRL-QMMMGPOBSA-N	225.032	-0.905	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCSCC2)n1	1981469544	USVREACBTDPOPV-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCCN2)CC1	1981488200	XLKQDPODLBSYMY-SNVBAGLBSA-N	225.292	-0.675	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@@H]1C(F)F	1982684966	LKZVEEQQPBQZTD-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]2CF)c1B(O)O	1986084973	QUGYNLLDMQXEKK-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)CC1(C)C	1986377531	CSZLOUDJVIUEQL-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H](C)C(F)F	1990776179	HBGZYXVFZMHNTA-LURJTMIESA-N	237.250	-0.013	50	10	BBGE	
CN(CCC[C@H]1CC1(F)F)C(=O)C(=O)NN	1990991407	MJNHSGOORURAEH-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
O=C(CC1CCOCC1)NCC=CB(O)O	1991325892	APWNJXBLBZTDCO-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CC1(F)F	1991328147	SDTPVFZQLHASGY-VDTYLAMSSA-N	231.007	-0.141	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@H]1CCNC1=O	1991715725	YNYDASSRPZELJX-QOHHWTFISA-N	244.678	-0.050	50	10	BBGE	
C=C(CN(CCOC)[C@H]1CCOC1)B(O)O	1992168149	WEFSPJBKYHNTHC-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
OB(O)c1ccc(N2O[C@H]3C=C[C@H]2C3)nc1	1992618199	AAIAVCAZFUONEH-IUCAKERBSA-N	218.021	-0.790	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)NC(=O)CCl)C[C@H]21	1993441537	YGGSBLCVVHVFBI-KCQQBQQISA-N	245.666	-0.876	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@@]2(CO)C1)C(=O)NN	1997171053	REMGJVSTSAFECH-SCVCMEIPSA-N	241.335	-0.293	50	10	BBGE	
O=C1CN(CCOC[C@H]2CCCO2)CC(=O)O1	1997753484	ADGYAPKBXVCZET-SECBINFHSA-N	243.259	-0.433	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCC[C@H]21	2004918038	ZSXRWRYMQBZFGB-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
O=C(CC1COC1)Nc1ccccc1B(O)O	2007653650	RQNBZNSZNUHVOF-UHFFFAOYSA-N	235.048	-0.659	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCOC2(CC2)C1	2008865819	DHJHXYPJFXGJCP-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
O=C(NCB(O)O)C1CC2(C1)C(F)(F)C21CC1	2012237282	DGWUDSUAWUPMNO-UHFFFAOYSA-N	245.034	-0.060	50	10	BBGE	
COCCCCOC[C@H]1CC[C@@H](C(=O)NN)O1	2014229786	XQVPNIOWFAGZDV-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](C(C)C)C1	2019213777	WMDFBLIEZJQZIS-JTQLQIEISA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC#CB(O)O)[C@H]1C	2021156983	GBDGHSZTUAXPBY-AXTSPUMRSA-N	239.080	-0.823	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H]2CCC[C@@H]1COC2	2021404409	OYYGVDQIHVBUTE-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1CN(CC23CC(C(=O)NN)(CO2)C3)[C@@H]1C	2023852288	FKUMFHRIEFGPCN-CAQTZKSYSA-N	239.319	-0.134	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC3CC(C3)C2)n1	2050242302	NAOCCEIOOOVPIZ-UHFFFAOYSA-N	249.318	-0.135	50	10	BBGE	
Cc1occc1CN(C)c1ncncc1B(O)O	2052467123	MUYAUHSOSGNWBQ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1ccnc(N(C)Cc2cnco2)c1B(O)O	2052473978	XESBDQZDOKZAJL-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN1CCC[C@H](N(C)c2ccncc2B(O)O)C1	2052498767	JPXUAKFPDDKCNB-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CCCC1CC1	2055732107	TXYWKVIWSPHYFH-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
COc1c(B(O)O)ccc(C)c1[N+](=O)[O-]	2060380227	ZGTVXDXYEWFZNX-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CN(Cc1cccn2nccc12)C(=O)C(=O)NN	2066089123	NXSKJNYGCBDPAZ-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
Cn1cc(CC(=O)N[C@H]2CCC=C2B(O)O)cn1	2076081475	JGTSVQUSSSWTHQ-JTQLQIEISA-N	249.079	-0.820	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@H]2C2CCC2)nc1	2079937501	YOCKRPVXZRZMKE-KOLCDFICSA-N	248.091	-0.029	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@H]1C[C@@H](O)C1	2210103949	DXDVFHPUURKYQI-AOOOYVTPSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C[C@H]1CCN(C)CCOCC(=O)NN	2211602260	QKBSVZMLFCDXLH-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1cccnc1NC1CC(F)(F)C1	2212606423	TYEWFCIFEIYLMF-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1cc(B(O)O)ccn1	2212607364	KHGCGNPYIVSLMY-CBAPKCEASA-N	223.037	-0.825	50	10	BBGE	
C#CC[C@H](C)Oc1nccc(B(O)O)c1F	2212613770	PYHYXCKUFCWYDY-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C1CSC1	2212615725	TZOGQXGNJBYEPG-ZETCQYMHSA-N	238.121	-0.075	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@H]1OC	2215004081	KAVFRBWMUYREEC-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCO[C@]2(C#N)C1	2216068768	RFAPSYHSWIBXTH-FXPVBKGRSA-N	238.291	-0.631	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H](O)C2)CCC1	2216495245	MCBWWYMRTSYRIH-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)C2)CCCCC1	2216872605	STIIJEVOOYMWBX-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
NC[C@@H]1CC[C@H](Oc2ncccc2B(O)O)C1	2217174641	WTGOIKQDTZWJJB-BDAKNGLRSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2C[C@H](F)C2)[nH]c1	2217176104	RHUSEQNXTKQBCJ-XWEPSHTISA-N	239.059	-0.872	50	10	BBGE	
OB(O)c1cccnc1OCC[C@H]1CCNC1	2217181326	OKVWFTPITPQAND-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
C[C@@H]1CCN[C@H]1COc1ncccc1B(O)O	2217182828	CXITZUNHDCHKRQ-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2ccoc2)c1	2217197855	RWMAIYBZYKIRPX-UHFFFAOYSA-N	232.048	-0.569	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2220061371	DLGNBHMYGUJLJI-LBPRGKRZSA-N	249.119	-0.431	50	10	BBGE	
CC1(C)CN[C@H](CNc2cc(B(O)O)ccn2)C1	2223627112	LNCPZQCBKNKZKY-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
CN(Cc1ccncc1)c1cc(B(O)O)ccn1	2223629586	VNKKXYBMXYOSEV-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)[C@H](CN)C1	2223665213	DQYJQJCRXWJTPC-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)c1cc(B(O)O)ccn1	2223667718	RLMBMLMUAKGWIZ-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
N[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C12CCC2	2223670082	SHRIMQBOONSCGE-VHSXEESVSA-N	247.107	-0.557	50	10	BBGE	
CC(F)(F)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241479766	FJRQNBSTNDSXOA-WHFBIAKZSA-N	206.985	-0.379	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cscc1B(O)O	2243347268	KIIMWHBXPORUJD-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCC(F)(F)C1	2243349448	LPEVWFILTGYFHP-ZETCQYMHSA-N	231.007	-0.352	50	10	BBGE	
O=C(C#CB(O)O)N1CC([C@H]2CC2(F)F)C1	2243362858	XMLCTQRKSFMZMM-SSDOTTSWSA-N	228.991	-0.885	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)s1	2243375934	BDNQOEBUTSWZKC-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)sn1	2243377945	JTWKJHPOEARBDM-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
C[C@H]1C[C@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243391298	IXAXFHDBGDKGLT-JBDRJPRFSA-N	226.085	-0.813	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@H]1B(O)O	2243391446	KTNCPKIEZUFWEQ-JGVFFNPUSA-N	220.037	-0.387	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H](C)O	2243396406	LSZKNBIXAKPGJI-MDVIFZSFSA-N	229.085	-0.485	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243407663	WYUSIAUZROUMFV-ZETCQYMHSA-N	239.105	-0.044	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243409116	BEJZEFOUGDLQKB-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@H]1CCN[C@H]1CNC(=O)C1(B(O)O)CC1	2243411319	RIBILVQFDXZBJS-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2243420365	REQIHQJBHTVFDP-XGEHTFHBSA-N	227.069	-0.731	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H](C)[C@H]1C)B(O)O	2243427228	SADGJHDTZBGJEQ-VXNVDRBHSA-N	247.125	-0.385	50	10	BBGE	
CSCCNC(=O)N1CCC(B(O)O)CC1	2244169656	WLOXQMBSYYADMD-UHFFFAOYSA-N	246.141	-0.002	50	10	BBGE	
C=CCN(OC)c1ncc(Cl)cc1B(O)O	2244266992	LQEHQJPDSSLZPM-UHFFFAOYSA-N	242.471	-0.031	50	10	BBGE	
C=C(CN(C)[C@@H]1COC2(COC2)C1)B(O)O	2244363069	UYJPUWGFKBYULD-VIFPVBQESA-N	227.069	-0.956	50	10	BBGE	
CC1(C)C[C@@H]1CC(=O)NCCC#CB(O)O	2244547904	HOSYXGUYTWWMPY-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245917412	PCNNPXQZDHDRDZ-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
C[C@H](CNC(=O)c1coc(B(O)O)c1)C(F)F	2247732467	GCGCTXMVYCSSPK-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1COC(F)F	2247744672	WIFXNDMZNCMQNY-ZETCQYMHSA-N	247.006	-0.768	50	10	BBGE	
O=C(N1C[C@@H](O)C2(CCC2)C1)C1(B(O)O)CC1	2247751380	WXTXQVOBQDQLAT-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2C)c1	2247760338	GSLZEIJXVHFBMG-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
CCCN(CCC)C(=O)c1c[nH]nc1B(O)O	2247782254	SOHQTPMLYQGJGT-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1cc(B(O)O)n[nH]1	2247783994	NVIGHUNWTYOPBC-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786188	XGACAWCLWHEBOE-SRQGCSHVSA-N	239.080	-0.610	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCOC2)[C@H]1C[C@@H](B(O)O)C1	2247787534	QIOLVPACKNQTBX-PKIKSRDPSA-N	239.080	-0.465	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247787605	RDECJAYHUAPQDR-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COC[C@H]2C1	2247807482	RFVRURLSOURWMY-MSLAYNRJSA-N	239.080	-0.656	50	10	BBGE	
CC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ncc[nH]1	2247807500	IOBHDFWBWWIZJP-PRJMDXOYSA-N	237.068	-0.160	50	10	BBGE	
NC[C@@H]1CCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247879019	PBTXTTUZPNQQBK-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1NCC2)[C@@H]1C[C@@H]1B(O)O	2247886720	FRBFTFPUEYPUQQ-HJGDQZAQSA-N	238.096	-0.750	50	10	BBGE	
O=C(NCC1=CCNCC1)[C@H]1C[C@H](B(O)O)C1	2247894639	JEBJUVOSWJXNOU-MGCOHNPYSA-N	238.096	-0.725	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897053	NMZCJLHTIHWVBO-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2247897596	VEGQMFNDVXWHOR-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2247898854	IDNYIBLAYXQGCL-WLRJLXCNSA-N	240.112	-0.553	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CN	2247900574	XYGWXNANEWJLGT-IWSPIJDZSA-N	240.112	-0.707	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248587743	UFDXGAHGHJYGTC-NKWVEPMBSA-N	241.052	-0.828	50	10	BBGE	
CCC(F)(F)CNC(=O)c1cc(B(O)O)co1	2249416896	YMGMCVJYYBENBZ-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=C[C@@H]1CF	2249420273	RNVQWOSQSYIPSZ-MRVPVSSYSA-N	239.011	-0.691	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2249853950	WONMCHPHTTZERW-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
O=C(O)CN(C(=O)C1(B(O)O)CC1)C1CCC1	2250670014	GSPLRGOUPDOBOY-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CC[C@@H]2C1	2255461725	LPIQCWGQTYWERD-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ncc(B(O)O)cn2)C1	2255471451	SVBTVJUODLQHRU-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1occc1B(O)O	2255482303	SOCGEWZMLAKICG-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
Cc1[nH]nc2c1CN(C(=O)C1(B(O)O)CC1)CC2	2255488814	KGFHGTUDCUKBOK-UHFFFAOYSA-N	249.079	-0.390	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCC1COC1	2255515074	SBTYEVIFLRIWSS-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2ccoc2B(O)O)C1	2255715503	GOPPLADUPWXQSU-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC[C@H]2C[C@@H]21	2255723678	HINFOQJUDDRFEC-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC=CC[C@H]21	2255733663	ORYYXFIDNNUGMR-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2255744205	ZYIMOOYYUAHWBB-QXFUBDJGSA-N	249.075	-0.170	50	10	BBGE	
CC#CCNC(=O)c1c(OC)cccc1B(O)O	2255747207	GXVNLKMDNILNCZ-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2cc(B(O)O)co2)n1	2258138300	IKQAAQVPSDBBJM-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2298168247	UUYDZHIXMOIPBG-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@H]21)[C@H]1C[C@H]1B(O)O	2298377347	NPFSNRPJQRIVMB-SRQGCSHVSA-N	239.080	-0.610	50	10	BBGE	
CN1CC(COCc2occc2C(=O)NN)C1	2299035869	SAEXDDIOVQIAIK-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
CNCCC[C@@H](C)Oc1ncccc1B(O)O	2299736331	LHPHUBXDUKWANO-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
CC(C)(CC(=O)N1CC[C@@H](B(O)O)C1)C(=O)O	2303115336	SGPQUMNTZBFNFU-SSDOTTSWSA-N	243.068	-0.437	50	10	BBGE	
C#CCOCCOCCN1CC[C@H](B(O)O)C1	2303153507	DOKOUJFTYXLOOV-NSHDSACASA-N	241.096	-0.799	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	2304250497	DVPCGFZPANSXRB-MMWGEVLESA-N	241.335	-0.296	50	10	BBGE	
N[C@@H](CCSS(=O)(=O)O)C(=O)O	5113841	IFQXRWHTFQTDOH-VKHMYHEASA-N	215.252	-0.676	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	70191546	MLIRTEXPEYTFFM-QMMMGPOBSA-N	221.216	-0.310	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCCO1	82469529	VYGSTLKLCGHZNA-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)[C@H](Sc1nnc(N)n1C)C(=O)NN	82473345	UOCSVGSEXGUUAB-YFKPBYRVSA-N	244.324	-0.496	50	10	BBGE	
CC(C)[C@@H](SC[C@@H](O)CO)C(=O)NN	86661912	ORPMQKCAIJUESE-NKWVEPMBSA-N	222.310	-0.913	50	10	BBGE	
CC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)NN	110560106	DWAWCMOGKZBFPL-VIFPVBQESA-N	237.259	-0.067	50	10	BBGE	
O=C(CCl)NNC(=O)c1ccn[nH]1	113517490	XLSXQHWDJSOHGT-UHFFFAOYSA-N	202.601	-0.591	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCCC[C@@H]1CO	125035042	PRYVRBGBNNHWKE-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C(C)(C)CO	134192076	GGUDNOHLCADIMY-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H]1C(=O)O	149090757	AEDYUCZEBABEGT-ZCFIWIBFSA-N	201.226	-0.278	50	10	BBGE	
CCC(/C=N/NC(N)=O)=N\NC(N)=O	167363145	AEWPYYRIOKHQTR-LQIBPGRFSA-N	200.202	-0.925	50	10	BBGE	
COCOc1ccc(OC)c(B(O)O)c1OC	197009334	HXDWTTJEOKYYIV-UHFFFAOYSA-N	242.036	-0.634	50	10	BBGE	
CN(C)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	203115843	YELYTGUUTXCESF-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1cccc(N2CC[C@@H](F)C2)c1	203569062	KEBDOVACXYYWLZ-SECBINFHSA-N	209.029	-0.085	50	10	BBGE	
CN1CCN(C)[C@@H](CNC(=O)CCCl)C1	225337246	KPTQJQMEZXEFAK-VIFPVBQESA-N	233.743	-0.023	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCCN(C)C1)C(=O)NN	251068916	DYSQRVVLZNYQQS-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCCN2C[C@H]1C	251705418	JCIBDPHAGRJVOY-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
Cn1c(=O)oc2cc(CNC(=O)NN)ccc21	258665959	CCEJMJURKSNURP-UHFFFAOYSA-N	236.231	-0.196	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	307581692	RUKQHUHDVFZDEJ-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)[C@@H]1CCCO1	309476976	SDAWSYFPWNJJNQ-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccc(C)c(B(O)O)c2)C1	313745272	BPUSKMVXWHMAOG-GFCCVEGCSA-N	249.119	-0.104	50	10	BBGE	
C[C@@H]1OCCN([C@@H](C)CC(=O)NN)[C@@H]1C	380338645	KATYCIZUUSRLGE-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
COc1ccc(B(O)O)c(CN2C[C@@H]3C[C@H]3C2)c1	380343123	DTITVELFBAOSSB-UWVGGRQHSA-N	247.103	-0.173	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC(C(N)=O)C1	382060537	DWARIKWYTYEQSA-SNVBAGLBSA-N	248.286	-0.865	50	10	BBGE	
NNC(=O)c1ccc2ncnc(O)c2c1	382742488	FHBSDVQHWHQARB-UHFFFAOYSA-N	204.189	-0.061	50	10	BBGE	
C[C@@H](N(C)CCCC(=O)NN)C(C)(C)O	382919422	CRMYGYKXUNYFAQ-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1O	388639474	QBNHJNUAJBVSAQ-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
CO[C@H](C)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	389370100	KLLKXDDKGPHUPM-HLTSFMKQSA-N	217.313	-0.032	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC2CCC1CC2	389915209	KXIMQXZINIPDEV-RRQHEKLDSA-N	211.265	-0.329	50	10	BBGE	
COC(=O)CCc1cccc(F)c1B(O)O	396036442	BSAXKZZEPWXOMU-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
OCc1cc2sccc2c(B(O)O)c1O	396347867	SXKUAPWRVOERLU-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398897347	BZKKMOXNBAXEHK-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CC[S@](=O)Nc1ccc(F)c(B(O)O)c1	404808126	BNNBWGHGDWWFNF-HNNXBMFYSA-N	231.057	-0.399	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)CO	491081367	FZKVUMZEVBJXBB-VHODGJRUSA-N	228.248	-0.710	50	10	BBGE	
CCC[C@H]1COC[C@@H]1N(C)CC(=O)NN	688158538	GLPACEPGXGMBKU-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@H](CO)C1	696775963	JIQKDBLZMBMNRA-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CC(C)SCC(=O)NNC(N)=S	700849242	SOHJJPKWAQXGOD-UHFFFAOYSA-N	207.324	-0.008	50	10	BBGE	
NC(=S)NNC(=O)Cc1ccc(O)cc1	700877984	XRVPHGPCHCAKBB-UHFFFAOYSA-N	225.273	-0.201	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1COC	702770381	XZLQOBIXYUCTMY-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CN(CCS(C)(=O)=O)[C@H]1COC[C@@H]1Cl	709125957	KATOSTRMVTUCLQ-YUMQZZPRSA-N	241.740	-0.031	50	10	BBGE	
CN(C)NC(=O)N1CC(F)(F)C[C@@H]1C(=O)O	713552384	KYHSARHOUXOQFJ-RXMQYKEDSA-N	237.206	-0.033	50	10	BBGE	
OB(O)c1cnc(Cl)n1[C@@H]1CCCCO1	716027752	GZXMWAMAHZOFII-ZETCQYMHSA-N	230.460	-0.085	50	10	BBGE	
CN(C)C[C@H](Cl)CNS(C)(=O)=O	717295862	ALGHIWWNGWPACX-ZCFIWIBFSA-N	214.718	-0.295	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1CSC1	718479660	MHYHCKAPUMZOEI-UHFFFAOYSA-N	237.089	-0.332	50	10	BBGE	
CNC(=O)NNC(=O)c1ncc(C)cc1O	766000754	MUBAXTXPVMHZQA-UHFFFAOYSA-N	224.220	-0.331	50	10	BBGE	
CCCNC(=O)NNC(=O)Cc1ccnn1C	767742511	XFFRUAHSUFTVBV-UHFFFAOYSA-N	239.279	-0.297	50	10	BBGE	
CC(=O)NNC(=O)Nc1ccnnc1C	776483206	YLCCASFMHXHCNU-UHFFFAOYSA-N	209.209	-0.042	50	10	BBGE	
O=C(CC1OCCO1)NNC(=O)[C@H]1CCCO1	817216069	JFSZCJROAXTLAB-SSDOTTSWSA-N	244.247	-0.924	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C1(C(N)=O)CCC1	862504770	OHLPEWQDTWMAHH-UHFFFAOYSA-N	248.286	-0.089	50	10	BBGE	
O=C(CCO)NN=C1CC(=O)N2CCC[C@H]12	1325158664	SISLEPFNFFKZOB-MRVPVSSYSA-N	225.248	-0.764	50	10	BBGE	
CNC(=O)NNC(=O)C1(C(=O)C2CC2)CC1	1442139270	MZLQTUFUIGCEIF-UHFFFAOYSA-N	225.248	-0.294	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(CO)nc1	1442152110	XJWWIFOMZSIGJM-UHFFFAOYSA-N	224.220	-0.852	50	10	BBGE	
CN(NC(=O)c1noc2c1COCC2)C(N)=O	1630878543	SHHBAZAXUXUUPG-UHFFFAOYSA-N	240.219	-0.597	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H](Br)C1	1881364136	DNCFDJPMTCEXBH-OLQVQODUSA-N	237.097	-0.227	50	10	BBGE	
NCC1(C(=O)NCC(Cl)Cl)COC1	1882797405	NGVINDJYJZKAKG-UHFFFAOYSA-N	227.091	-0.118	50	10	BBGE	
C[C@H](O)CCCN1CC[C@@H](B(O)O)C1	1891492757	PRJLVNIALPPKHX-DTWKUNHWSA-N	201.075	-0.304	50	10	BBGE	
CC(C)(NC(=O)/C=C/C(=O)Cl)C(N)=O	1893497812	LLXUNWOFIWBTJZ-ONEGZZNKSA-N	218.640	-0.312	50	10	BBGE	
C#CC[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1893503956	ALICNCOXEYDOTQ-KPJROHGDSA-N	215.636	-0.192	50	10	BBGE	
C[C@]12CN(C(=O)C(=O)NN)CC[C@H]1C2(F)F	1896290903	UTJBUHNYYWUORL-XRGYYRRGSA-N	233.218	-0.520	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H]1CCCN2)S(C)(=O)=O	1901339863	UXUDMXXOOIYJCA-APPZFPTMSA-N	247.320	-0.949	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1CCNCC1	1901375316	KCPIDCWUSBVGKC-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CC[C@](C)(CN(C)CC[S@@](C)=O)C(=O)NN	1902715299	GBCMJRPIVXNYGY-QLJPJBMISA-N	249.380	-0.297	50	10	BBGE	
NCCC(CCN)NC(=O)[C@H]1C[C@H]1Cl	1905124378	LQDFABRGHPUOOP-JGVFFNPUSA-N	219.716	-0.204	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCCC[C@@H]32)nc1	1907072841	QGDFJDIKLVFUGL-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@@H]3C2=O)C1	1908359160	SMGXUEUOPKWLJH-JLIMGVALSA-N	237.303	-0.129	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]1C1CCCC1	1910673533	RFWUKPDJPIBIMY-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](Cn1cc(F)ccc1=O)C(=O)NN	1912263618	CFAYWILDJVXADI-LURJTMIESA-N	213.212	-0.387	50	10	BBGE	
CN(Cc1ccccc1)C1CN(CC(=O)NN)C1	1914201299	IQSHMXBDWNPPCQ-UHFFFAOYSA-N	248.330	-0.208	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1914256004	NWYMSYDNOAUFNW-LURQLKTLSA-N	213.281	-0.933	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)C12CCC2	1914402093	OOIPLYSCGLZQBM-VIFPVBQESA-N	241.291	-0.857	50	10	BBGE	
C[C@H](CN1CC[C@@](F)(CO)C1)C(=O)NN	1917088591	VRWVCGZZWBHZSG-APPZFPTMSA-N	219.260	-0.981	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@@H](C1)OC2	1926961282	DIRUVOJMTMJETC-OIBJUYFYSA-N	227.264	-0.948	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccccc1=O	1927816488	NSAUPGFYUIQLIM-UHFFFAOYSA-N	217.175	-0.527	50	10	BBGE	
Cc1nc(C)n(CC(F)(F)C(=O)NN)n1	1927816921	UOQNQEDEFBTENB-UHFFFAOYSA-N	219.195	-0.480	50	10	BBGE	
CCC1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927915771	KTECBPIPAMXIOL-JGVFFNPUSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)N1CC[C@@H](CO)C(F)(F)C1	1928604213	ADATVXDKKNRIPO-YFKPBYRVSA-N	209.196	-0.481	50	10	BBGE	
CO[C@H](C(=O)NNCCO)C1CCC1	1929836122	DAPNLWFGKDZGOD-QMMMGPOBSA-N	202.254	-0.585	50	10	BBGE	
O=C(CCl)N1CCC([C@H](O)CO)CC1	1932258907	GPXRIJKTSVTXIV-MRVPVSSYSA-N	221.684	-0.183	50	10	BBGE	
NC(=O)[C@H](N=c1[nH]nc(CCl)o1)C1CC1	1932376138	QZXMDROTYXQCLV-ZCFIWIBFSA-N	230.655	-0.094	50	10	BBGE	
NNC(=O)CN1CC2(CC[C@H]1CO)CC2	1933429631	UUQBBHUMSSLBOO-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
C[C@H]1OCCO[C@@H]1CN1CC(=O)OC(=O)C1	1935555934	GQDSKKLSHDUDTK-HTQZYQBOSA-N	229.232	-0.824	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCSC1	1936532161	VQTHMBFBAWMFHC-SECBINFHSA-N	247.364	-0.322	50	10	BBGE	
CCON(CC)C[C@H]1CC[C@H](C(=O)NN)O1	1937109050	WMZZSSLMLWDIMD-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@@H]2C1=O)C(=O)NN	1940079612	AIUVQSTUMYFFSG-SFYZADRCSA-N	225.292	-0.129	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)CC(=O)O1	1940622514	ZIZJHYPQYOHDIS-QXDXILDGSA-N	237.255	-0.205	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2nccc2C1	1941177942	KIJYYLJRTNFNMQ-RKDXNWHRSA-N	237.307	-0.287	50	10	BBGE	
CN(C)C1[C@H]2CN(CC3(C(=O)NN)CC3)C[C@H]12	1945913652	XLCLZVKCQXVOMT-IUCAKERBSA-N	238.335	-0.752	50	10	BBGE	
COc1c([C@@H](N)[C@H](O)C#N)c(C)nn1C	1952879721	ZDWPCFXJFGQZAY-SVRRBLITSA-N	210.237	-0.379	50	10	BBGE	
CN(C)C[C@H](N)C(=O)CBr	1953156505	QYJYIQDLOANKOR-YFKPBYRVSA-N	209.087	-0.161	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](CO)[C@H](C)O	1954232464	PLSMRJNJAPQVJV-LYFYHCNISA-N	209.673	-0.138	50	10	BBGE	
O=C(CBr)c1cn(C2CNC2)nn1	1954336605	TULIIXMVNAIKNK-UHFFFAOYSA-N	245.080	0.000	50	10	BBGE	
O=C1[C@@H]2CCO[C@@H]2CN1C[C@@H](O)CCl	1956922741	ISMTZVXECXSWQG-XLPZGREQSA-N	219.668	-0.167	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H]1C	1957005282	KUHJCKMEIJFHNA-XLPZGREQSA-N	201.270	-0.669	50	10	BBGE	
CC1(C#N)CCN(CCC(=O)NN)CC1	1961471507	AYWSOXHZMUBXKF-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
OB(O)c1csc(Sc2cnccn2)n1	1961725338	XKWICQADFZXNLZ-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]1(C)COC	1974738373	WWOWQHUGAOMWBS-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1975527874	VOFADMVAXAJNNX-SCZZXKLOSA-N	233.287	-0.449	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)CC[C@@H]1CO	1979552202	VYRLMZWBUGCUML-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CN1CC(O)(C(F)(F)F)C1)C(=O)NN	1980808912	CNRRGCLAJUFICI-YFKPBYRVSA-N	241.213	-0.779	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC2(CC2)C1	1981015505	XZXIAJUWWQVZDC-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2C[C@@H]21	1981422617	RCPUCJKVRIDZAO-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
CN(C)C(=O)[C@H]1CNCCN1C[C@H](Cl)C#N	1982215746	INSYGFIZQOXYDH-RKDXNWHRSA-N	244.726	-0.521	50	10	BBGE	
C[C@H]1C[C@]1(N)C(=O)N1CCC(O)(C#N)CC1	1984165311	UWHXSSGVOKQFFO-GZMMTYOYSA-N	223.276	-0.399	50	10	BBGE	
N#CC1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	1985358359	YRLDXBKLFWTBRB-WPRPVWTQSA-N	222.292	-0.152	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(N)cc(F)c1	1989371456	QURSDHCNFJPLTB-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
CCS[C@@H]1CCN(CC(=O)NNC(C)=O)C1	1990774911	OXMHKIPEUKBTKX-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
C=C(CN(C)CCCn1cncn1)B(O)O	1992145127	IHZYCVVCGSODJM-UHFFFAOYSA-N	224.073	-0.832	50	10	BBGE	
C=C(CN1CCOC[C@H](C2CC2)C1)B(O)O	1992149187	VSUHHFRWRLENBJ-LLVKDONJSA-N	225.097	-0.087	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1992719302	IZRJSOQVNVCSER-KIOSUUARSA-N	245.706	-0.044	50	10	BBGE	
NNC(=O)CCCOCC1COCCOC1	1994134572	FDCDIRXHHPSRJU-UHFFFAOYSA-N	232.280	-0.564	50	10	BBGE	
COC[C@@H]1CCOCCN1C[C@H](C)C(=O)NN	1998228776	YUMYTJGEVNTJHO-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@H]21	2004912200	QCNDEQPYXYUCPI-FBIMIBRVSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C2(CCCC2)C1)C(=O)NN	2006026193	XNMWMRULLXCEND-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@H]1CC1(F)F	2008844945	UZVQEXVRUMREQE-ZETCQYMHSA-N	243.018	-0.427	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@H](CC(=O)O)C1	2014432240	DJTKYWWNRDZXFK-YUMQZZPRSA-N	245.279	-0.216	50	10	BBGE	
Cc1nn(C[C@]23C[C@H](CO2)C3)c(C)c1B(O)O	2018462725	XXVUPDLKGJFGBF-JGZJWPJOSA-N	236.080	-0.641	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccncn1	2020061721	KCUSRBNOJXAUGT-QMMMGPOBSA-N	233.036	-0.693	50	10	BBGE	
C=C(CN1CCC[C@@](COC)(OC)C1)B(O)O	2021165482	WPXZBFWXWRRFLW-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2024085899	IZSMIWYMWYWRJI-CHWFTXMASA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1ccnc(B(O)O)c1	2025664914	YWESECYKPHTDTP-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
N[C@@H]1[C@@H]2CN(CC(=O)NNc3ccccn3)C[C@@H]21	2045671491	NGNORWFBCGCLNO-BZBKMWRSSA-N	247.302	-0.586	50	10	BBGE	
Cc1ccc(CN2CCO[C@H]3C[C@H]32)cc1B(O)O	2051854321	RKNMLQZUSYJISE-OLZOCXBDSA-N	247.103	-0.352	50	10	BBGE	
Cc1nc(N2C[C@@H]3CC[C@H](C2)O3)ccc1B(O)O	2052626881	YEIVUBGYBBNIFP-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(C)c1B(O)O	2060019013	HKMPWTSEHGNRBJ-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOC12CC(C1)N(c1ccc(B(O)O)cn1)C2	2065710567	ZGKQBVUCSSLNTH-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@]23CCOC3)nc1	2077644701	DHVXPTQWCPILEH-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
C=COCCCNC(=O)c1ccccc1B(O)O	2079009661	JUWLVGFGHIYIQO-UHFFFAOYSA-N	249.075	-0.354	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)OC[C@H]1C	2210631256	KHWJVRHQQWPYRU-VGMNWLOBSA-N	231.296	-0.900	50	10	BBGE	
C[C@H](N)[C@H](C)Oc1nccc(B(O)O)c1F	2212608552	UFCLYMJJCMTJBW-WDSKDSINSA-N	228.032	-0.985	50	10	BBGE	
COC(C)(C)CNc1cc(B(O)O)ccn1	2212611331	ZHFZHJDJXJVCRN-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
CCCSCCN=c1ncc(B(O)O)c[nH]1	2212616107	ZURYEAZVQXJGLG-UHFFFAOYSA-N	241.125	-0.867	50	10	BBGE	
C[C@@H]1C[C@H]1CCN(C)c1ncc(B(O)O)cn1	2215321781	NENFPTUWQAFIBA-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
Cc1cnc(O[C@@H]2CC[C@@H]2CN)cc1B(O)O	2217182835	HHFPGLHGOOIANB-PSASIEDQSA-N	236.080	-0.814	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)[C@H]1CCCO1	2217183900	LMRPBGNBMNOUSA-VXNVDRBHSA-N	237.068	-0.864	50	10	BBGE	
CC(C)[C@H](N)CCOc1ccc(B(O)O)cn1	2217188676	RVTWXMYQZLBCQS-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
CC(C)[C@](C)(N)COc1cc(B(O)O)ccn1	2217190433	DPVCOQULQMZFGB-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
C[C@@]1(N)CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217196537	SFQWMKPZLBVRJU-GXSJLCMTSA-N	236.080	-0.590	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@@H]1O	2217200750	LOIQZBHBKGQYHF-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
OC[C@H]1CC=CCN1Cc1cccc(B(O)O)c1	2220059785	SKCWZDIRKXBRIC-CYBMUJFWSA-N	247.103	-0.511	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CC[C@H](C2)N3)c1	2220074486	ZGVGEKGHOHMSHH-BETUJISGSA-N	246.119	-0.697	50	10	BBGE	
CN1CC2(CCN2Cc2ccccc2B(O)O)C1	2222718775	REESLJPYEOMWKF-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
CC1(C)C[C@H](CNc2ncccc2B(O)O)CN1	2223669843	PECQLQLLRRWIGD-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(c2ncccc2B(O)O)C1	2223675801	YYIBAUUITUGTAK-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
CCCNC(=O)c1cscc1B(O)O	2241471377	IZUVBBLBVGKDOA-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
O=C(NCCF)c1cc(B(O)O)cs1	2241481978	YGECXLFODVLTRY-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
C=CC1(NC(=O)c2coc(B(O)O)c2)CC1	2243348280	WKWNSIZYIAESDP-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243391297	IXAXFHDBGDKGLT-FNCVBFRFSA-N	226.085	-0.813	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)C1CCC1	2243401705	VVGPPXBPOUSMFX-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2243401741	WBKBIQADFLXPJM-DBPGGULWSA-N	219.049	-0.885	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCNC1	2243410393	ATFXXVPDQPLYCE-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C(F)F)c1	2243678675	MLTHSBAIFSDAQM-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
CCN(C)C(=O)CN1CCC(B(O)O)CC1	2244178154	QPTGAQWRTDOPSJ-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
CC1(C)CC(C(=O)NCCC#CB(O)O)C1	2244549080	YAYJLMNXEKJBQU-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@H](C)[C@H](C)C(=O)NN	2245131953	IQNWDBVJYXPOQN-JXUBOQSCSA-N	229.324	-0.154	50	10	BBGE	
COC1(COc2ccc(B(O)O)cn2)CCC1	2247357842	VNFUSBYKSPFDKM-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)[C@@H]1C[C@H]1C	2247740815	QBIFSRLENGCUOY-GJMOJQLCSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H](CF)C1	2247748010	WIOMSAVGTZBZDG-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CN(C[C@@]1(F)CCOC1)C(=O)C1(B(O)O)CC1	2247750627	MEQFGOJKAGLWCK-VIFPVBQESA-N	245.059	-0.420	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1COC2CC1C2	2247756200	RXHLEMFDGSOVIX-AMDVSUOASA-N	239.080	-0.371	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@]1(C)O	2247756272	SDYMLGQCAWJNIO-SCZZXKLOSA-N	241.096	-0.387	50	10	BBGE	
Cc1nc[nH]c1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247797128	GJQYRVLYJRMJQS-JGVFFNPUSA-N	237.068	-0.760	50	10	BBGE	
CC1(C)CCOCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247803878	DMXIABQCROBRPD-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)C1(C)C	2247850130	KFSALUODUGPOEP-DTWKUNHWSA-N	239.080	-0.726	50	10	BBGE	
CC(=O)[C@H]1CC[C@H](NC(=O)C#CB(O)O)CC1	2247850998	VGZWPGUGFPZHFY-MGCOHNPYSA-N	237.064	-0.734	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](O)C1)C1(B(O)O)CCC1	2247852944	CTAOVLOQFIKMHW-DTWKUNHWSA-N	241.096	-0.197	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247856718	MNYZEWOYNCGTEZ-VIFPVBQESA-N	233.032	-0.899	50	10	BBGE	
CCON(C(=O)c1coc(B(O)O)c1)C(C)C	2247856735	MTHZNTLXAMVBRM-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
CC#CCCCNC(=O)c1ccoc1B(O)O	2247869736	XPFVLJJFZFWXHP-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2coc(B(O)O)c2)C1	2247872791	YKGFZUVSDPMYSB-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1C[C@H]2CCN[C@H]2C1)C1(B(O)O)CCC1	2247878099	HRJLVDCXYFKXRP-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)C1CC(B(O)O)C1	2247911694	XGACAWCLWHEBOE-KZCAZGHVSA-N	239.080	-0.610	50	10	BBGE	
CN(C)C(=O)Nc1ccc(F)c(F)c1B(O)O	2248109794	QSPHXPSGAUJBMT-UHFFFAOYSA-N	244.006	-0.262	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cscn1	2248419424	AGXSESATWFUUJM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C[C@@H](C)O	2248439116	IZJRXDYQCGGVHO-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248575589	BUQFPEXCQOOTBJ-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@]12CC2(F)F	2250005451	XZWOVPRFHYWCEJ-APPZFPTMSA-N	243.018	-0.447	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3C[C@H]2CO3)c1	2254485540	DJMGYPFCZQHFIF-INTQDDNPSA-N	248.091	-0.259	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1ccoc1B(O)O	2255469497	PYOPKMQFVSEOLM-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1ccoc1B(O)O	2255472187	DHMVFGUSFDIUSX-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(F)c(B(O)O)c1	2255500305	IPCWZCJSFUTNFL-SECBINFHSA-N	249.050	-0.046	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1cncc(B(O)O)c1	2255524123	VOGHPNVCHPXTRR-UHFFFAOYSA-N	248.091	-0.297	50	10	BBGE	
C[C@H](Cc1cccnc1)NC(=O)[C@H]1C[C@H]1B(O)O	2255584365	WGOCCEFBOIHASH-DVVUODLYSA-N	248.091	-0.008	50	10	BBGE	
CCc1c[nH]nc1NC(=O)c1cc(B(O)O)c[nH]1	2255670800	ISBWIHSSFVCROS-UHFFFAOYSA-N	248.051	-0.768	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(B(O)O)c[nH]1	2255679481	MIVSXOMXBBERIU-OYNCUSHFSA-N	248.091	-0.387	50	10	BBGE	
C=CCN(C(=O)c1ncccc1B(O)O)C(C)C	2255710680	OAHZDCOFLOKJGI-UHFFFAOYSA-N	248.091	-0.202	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCC1COC1	2255735290	QQXSXQWUSYZTNJ-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3occc3B(O)O)C[C@@H]21	2255737739	INVPGNMXOHTKHE-IWSPIJDZSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC[C@H]2C[C@H]21	2255747020	CYGUJJVLDDYJHL-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)nn1	2255772690	IDHXLRFRVFXRNT-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
C=CC1(NC(=O)c2nn(CC)cc2B(O)O)CC1	2255773442	CTSLBAYHKKNIIX-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
Cc1cc(C(=O)N2CC3CC2(C)C3)oc1B(O)O	2255779899	NKDPIOCHAPHZHW-UHFFFAOYSA-N	249.075	-0.108	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCC[C@H]1C	2257491706	PAPJEYHKRVQVRY-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1cocc1B(O)O	2258122855	HYXIHASLFRTYJK-AYVLWNQUSA-N	249.075	-0.122	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368963	DNXMYLYJRUTUDE-REIXXSIJSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2CNC[C@@H]21	2298369019	GCPZSLUMSYPLEY-RGOKHQFPSA-N	238.096	-0.940	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1	2298369520	XKMSUDJRWKWVFB-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CO	2298371132	AJUCCGCEVGXRMF-AXTSPUMRSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@H](C[C@H]2O)C1	2298375155	SEQOBLOWWVPDPS-SOYHJAILSA-N	239.080	-0.921	50	10	BBGE	
CN(CCOC1CCC1)C(=O)[C@H]1C[C@H]1B(O)O	2300892913	KJCUMCCAMIYARF-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCN1CCOC[C@@H]1C	2300927964	ZZAGEEWEKSAJKM-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCOC1	2301338501	JMHOCXCHFRUDIO-SNVBAGLBSA-N	232.048	-0.561	50	10	BBGE	
O=C(C#CB(O)O)N1CC=C(c2cccs2)C1	2302411604	YRZBGQDJENWTMA-UHFFFAOYSA-N	247.084	-0.011	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1	2302843995	WHRWILXAUMRTPR-LLVKDONJSA-N	231.060	-0.441	50	10	BBGE	
O=C1[C@@H](N2CC[C@@H](B(O)O)C2)CCN1C1CC1	2303105020	LWDYBKZUOMLTLU-SCZZXKLOSA-N	238.096	-0.702	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)C[C@H](F)C1)C(=O)NN	2303419880	KREOMHRGLQBMCJ-QXEWZRGKSA-N	247.314	-0.203	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ccc(B(O)O)cn1	2304083788	LNXJAOJWJIAZGF-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
O=C(NC[C@H]1O[C@H]2CC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2307471838	UBFBAXGPUACAHK-RXKWGBCNSA-N	239.080	-0.467	50	10	BBGE	
C#CCCCOC(=O)Nc1cc(B(O)O)ccn1	2316375612	KNXFMQZYBYOAEC-UHFFFAOYSA-N	248.047	-0.277	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1ccc(B(O)O)cc1C#N	2317162140	IGAORSMQKDSVCN-DTWKUNHWSA-N	248.091	-0.191	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1ncno1	2327786355	ISPRHZFIRVQMEJ-MRVPVSSYSA-N	249.035	-0.861	50	10	BBGE	
CCN(CC(=O)N(C)C)C(=O)NC(=O)CCl	42517092	UOTGMSBNABEQRR-UHFFFAOYSA-N	249.698	-0.129	50	10	BBGE	
C[C@@H](CN1CCSCC1)C(=O)NN	82466611	YAHRTIUCYQGUJL-ZETCQYMHSA-N	203.311	-0.339	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC(=O)N(C)C	82467361	QZWVRVAQNYVYQB-VIFPVBQESA-N	230.312	-0.979	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CCNCC1	82470933	YTKNNZXBOSZWDN-SECBINFHSA-N	214.313	-0.561	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)C(C)(C)C1	82485346	ZQVHAFIPKWXZSR-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1Cc2ccccc2O1	83590723	JWBYUISYPCIXEK-QMMMGPOBSA-N	237.284	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cnc([N+](=O)[O-])c1	86313774	SNKPPKZHCLSJOK-NTSWFWBYSA-N	227.224	-0.022	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)/C=C\C(=O)O)[nH]n1	105545029	SMXVQQSZCGBILQ-IHWYPQMZSA-N	238.203	-0.880	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@H](O)CC[C@H]2C1	125797911	JPCXHZUTDZXXBD-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
CN(CCCl)S(=O)(=O)CS(C)(=O)=O	167613832	FINSPWYARHTGNE-UHFFFAOYSA-N	249.741	-0.511	50	10	BBGE	
Cc1cc(NS(C)(=O)=O)ccc1B(O)O	203898549	UNESXPHUTZZFQU-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
CCOC(=O)/C=C(/N)NNC(=O)C(C)C	207119494	LRJYQMJBXXOZDO-ALCCZGGFSA-N	215.253	-0.374	50	10	BBGE	
COC(=O)N1CCC[C@H](C(=O)NN)C1	214296778	VBYHEZVYSMKYCU-LURJTMIESA-N	201.226	-0.545	50	10	BBGE	
COC[C@H](CCO)NC(=O)CBr	228332841	RTQGXFSEZLOWSI-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
CO[C@H]1CCN(Cc2ccc(B(O)O)cc2)C1	234891307	GMHULVDIVPFRAW-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
O=C1CN([C@@H]2CCO[C@@H]2C2CC2)CC(=O)O1	236407429	AJHQQRBEBDBALA-LDYMZIIASA-N	225.244	-0.061	50	10	BBGE	
Cc1nccn1-c1cccc(B(O)O)c1	238499994	WNRNKYVWQLPOMU-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
O=Cc1cc(C(F)(F)F)c(B(O)O)cn1	238633260	JLHZGKZLTIGEEO-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
O=CN1CCN(C(=S)NCCCl)CC1	243842215	RBLLCQDGOFBKIJ-UHFFFAOYSA-N	235.740	-0.126	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@](O)(CO)C1	313680131	HPLCCCNFDBDNEY-VXNVDRBHSA-N	221.684	-0.183	50	10	BBGE	
COCC(COC)NS(=O)(=O)CCCl	384423585	UILIHMOLEXOWMJ-UHFFFAOYSA-N	245.728	-0.194	50	10	BBGE	
N#CCc1cccc(B(O)O)c1CCC(=O)O	396138709	PSORDHOMUQGQEL-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1c(B(O)O)ccc2scc(CO)c12	396220961	MEUIZZJSIWTLQT-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1c(C=O)ccc2sc(B(O)O)cc12	396244151	ASTPFTYKQJLSMS-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccon1	404937143	FKZLUZNFCORXKV-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1cccc(B(O)O)n1	405000943	KISITUFOOKWYFS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@]1(N)CCN(CC(=O)NNc2ccccn2)C1	405863306	FBIQQTHYFLCSPK-LBPRGKRZSA-N	249.318	-0.052	50	10	BBGE	
O=C(CCCCCl)N[C@H]1C(=O)OC[C@@H]1O	675079796	IREPUGYJNOUJRI-POYBYMJQSA-N	235.667	-0.202	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)[C@](C)(C(=O)O)C1	702723019	IRIZOGHGCNCEAT-XVKPBYJWSA-N	245.279	-0.263	50	10	BBGE	
CN1C[C@@]2(C)CN(C(=O)NN)C[C@]2(C)C1	706282169	DYLXYIDLBDJTHJ-UWVGGRQHSA-N	212.297	-0.157	50	10	BBGE	
CN1CC[C@H](COc2cccc(B(O)O)c2)C1	709482490	KQUCDWYQCPQNEC-JTQLQIEISA-N	235.092	-0.303	50	10	BBGE	
COC(=O)C1(O)CN(c2nnc(CCl)o2)C1	714449127	FOYLJYKKEKNEQY-UHFFFAOYSA-N	247.638	-0.468	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@H](C1)C2(F)F	715401239	HYRKCONFKKCXGA-SRQIZXRXSA-N	205.208	-0.438	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)C2(CC2)C1	715574143	HMQGGDRFLRRTEU-ZETCQYMHSA-N	227.264	-0.031	50	10	BBGE	
C[C@H](C(=O)NNC(N)=O)[C@@H]1CCCO1	720572472	RYUQSUVSPMVRGX-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
CCN[C]1SC(C#N)=C(N)[C@H]1C(N)=O	725586217	FEXFTEBPVJDWAM-YFKPBYRVSA-N	211.270	-0.372	50	10	BBGE	
O[C@H]1CN(C[C@@H]2[N]C(CCl)=CS2)C[C@H]1O	725712122	VEENYVAPNNTUDA-HRDYMLBCSA-N	249.743	-0.219	50	10	BBGE	
COc1ccc(F)c(C=NNC(=O)C(N)=O)c1	814696669	LVOMRZKYLAZEAJ-UHFFFAOYSA-N	239.206	-0.230	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NCCCOC	900384822	MJLRDCHMNIMOHO-NHLYECAPSA-N	245.279	-0.710	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)co1	1131741171	VQGWAYRRVINBEN-UHFFFAOYSA-N	245.198	-0.051	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNC(=O)NC1CC1	1292120035	ZFXWCRFXOJQKKA-AATRIKPKSA-N	240.263	-0.876	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CCC=CO1	1292259425	XGMDSSDVFYYNHY-SSDOTTSWSA-N	213.237	-0.019	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC[S@](C)=O	1292880383	HSKCARFWVNBTRG-KIUWMYQTSA-N	230.289	-0.075	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cc(C)no1	1334723286	OSOWJWSNWIOJQR-UHFFFAOYSA-N	211.177	-0.394	50	10	BBGE	
CC(=NNC(=O)c1ncon1)[C@H]1COCCO1	1345054584	QMJKWUVTEKPZQK-SSDOTTSWSA-N	240.219	-0.409	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]1(C#N)CCCOC1	1597340512	GZRZJNHILSKJHG-SECBINFHSA-N	226.236	-0.733	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@H]1NC(=O)F	1878153469	OKDJZSGZUKCIIP-RFZPGFLSSA-N	211.214	-0.523	50	10	BBGE	
O=S(=O)(CCl)N1[C@@H]2COC[C@H]1C2	1881456393	UATIOZYCBOXFKH-OLQVQODUSA-N	211.670	-0.014	50	10	BBGE	
CN1CC[C@@H](C(=O)CCl)S1(=O)=O	1881558523	WNPALBAZRWSWAC-LURJTMIESA-N	211.670	-0.172	50	10	BBGE	
N[C@@H](CCO)C(=O)NC1CC(Cl)C1	1883262725	YIWYBWAXXYLVEY-AHXFUIDQSA-N	206.673	-0.418	50	10	BBGE	
O=C(NC1(CO)CC(O)C1)OCCl	1883300381	XHEMZGNNMVLLHF-UHFFFAOYSA-N	209.629	-0.205	50	10	BBGE	
CNCCN(C)C(=O)C=CC(=O)Cl	1883627532	WAGOISMIGRYPLB-UHFFFAOYSA-N	204.657	-0.014	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)[C@H]1C	1885871589	GTNXHQZINKCUFJ-GJMOJQLCSA-N	201.270	-0.934	50	10	BBGE	
C[C@H]1OCC[C@H]1CC(=O)NNC(N)=S	1892661339	DREVYVDQGKAOII-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC1(F)F	1892925039	SFEMTRMOCSLMTQ-YFKPBYRVSA-N	204.969	-0.674	50	10	BBGE	
C[C@@H]1NCC(=O)N(C[C@@H]2C[C@H]2Cl)C1=O	1893106251	DVXVPZGWADXRIC-LYFYHCNISA-N	216.668	-0.039	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@@H]1COCCN1	1893118439	HVJMUYNLLBGTNF-CSMHCCOUSA-N	218.684	-0.282	50	10	BBGE	
CN(Cc1cocn1)C[C@@H]1C[C@H]1C(=O)NN	1894354568	VBJJQBJPURQOGP-IONNQARKSA-N	224.264	-0.268	50	10	BBGE	
C=C(CN1C[C@H]2[C@H](C1)C2(F)F)B(O)O	1895169988	UZCDSVUCZQQHFW-BQBZGAKWSA-N	202.997	-0.249	50	10	BBGE	
O=C(CCl)NC(=O)N1CCOCCO1	1895815332	BWRHJYAZSCOBNP-UHFFFAOYSA-N	222.628	-0.275	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCn2cncn2)C1	1902511223	FNJXDBIOZQPGGM-SECBINFHSA-N	224.073	-0.783	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1sccc1B(O)O	1905063681	UASGXTMCSYNTDJ-OLQVQODUSA-N	243.068	-0.342	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1CC(=O)NN	1905540131	KDRWCRBBVHBXNE-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H](CO)CN(CC(=O)NN)C1	1906313698	VXJCCTYIDBGHNO-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
COC[C@]1(C)CC(=O)N([C@H](C)CC(=O)NN)C1	1906948447	PGUYKDAZARWHKR-LDYMZIIASA-N	243.307	-0.360	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1C[C@H]1F	1907455735	OJAOUPCZAGMVDM-NXEZZACHSA-N	237.039	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CC(F)F)C1COC1	1910089232	BKRNGFDCFDWPNQ-POYBYMJQSA-N	249.261	-0.422	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)[C@@H]1C	1912214986	BSRFBSOXCIKOBP-QYNIQEEDSA-N	227.264	-0.747	50	10	BBGE	
CC[C@H](N=S1(=O)CCOCC1)C(=O)NN	1913857378	UCUCXNNGAICJNQ-ZETCQYMHSA-N	235.309	-0.747	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)C(F)(F)F	1923449958	UVHPIBLBZIGLDJ-GSVOUGTGSA-N	209.127	-0.144	50	10	BBGE	
CC1(OCC(=O)NCB(O)O)CCCC1	1928348323	YBCLWKDHKPULMG-UHFFFAOYSA-N	215.058	-0.536	50	10	BBGE	
NNC(=O)C(=O)NC1CC(C(F)F)C1	1928502094	GAYBAAPYSXBEQN-UHFFFAOYSA-N	207.180	-0.864	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COC[C@@H]1Cl	1928687396	SHXFCYHCUHRLSB-NKWVEPMBSA-N	230.655	-0.600	50	10	BBGE	
O=C(C#Cc1ccccc1)NNCCO	1929834796	IBICHGILLJVQRG-UHFFFAOYSA-N	204.229	-0.349	50	10	BBGE	
C[C@H]1CCC[C@H]1CS(=O)(=O)NCB(O)O	1930380027	CMLYLXNZGMQVAR-YUMQZZPRSA-N	235.114	-0.646	50	10	BBGE	
COC[C@@H](NC(=O)OCCl)C(N)=O	1932163307	BKTRZTPCUXZGAS-SCSAIBSYSA-N	210.617	-0.591	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2C[C@H]1CO2	1932589188	LUIWYPBHGDMGCM-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
O=C(CCCl)NC[C@H]1COC[C@H]1O	1933390466	WPCMCUHLSOXOJJ-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@H](C)C(=O)NN)C[C@H]21	1935840563	VMJMZZGPKYTCRU-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2[C@H](C1)C2(F)F	1935928268	IODAIQDRJFBPDI-SYDPRGILSA-N	241.188	-0.192	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)n1	1936084008	SMDRTWUCCIMTEI-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1936085808	SAGCIILHCFCIMR-RYPBNFRJSA-N	225.292	-0.131	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1C1CCC1	1936217872	YNIYMFMWPOASMJ-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CCC[S@@](=O)CC2)CC1	1938231275	UEKOGQRQSZMKCR-MRXNPFEDSA-N	245.348	-0.789	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CCCO)CC1	1945882305	FRMIXZQTMMYJSE-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1947072618	LEYNOAZWGJMOPS-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
O=C(OCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955547973	FDFLHVWBPBNLAA-AXMZGBSTSA-N	221.640	-0.255	50	10	BBGE	
C[C@@H](CN1CC[C@H]1C(F)F)C(=O)NN	1956866461	STXJNXQLZKZQHB-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	1961234352	AKSBMTYESYTCON-JGVFFNPUSA-N	213.281	-0.646	50	10	BBGE	
OB(O)c1ccc(OCCC2CC2)nc1	1961712016	IVUAQKVBQDKUHI-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
C[C@@H](CN1CC2(CC[C@H]2O)C1)C(=O)NN	1975356461	XFCBIFMKPVLIAE-JGVFFNPUSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(F)(CO)CC1	1975529872	AKVHFKGOTSBWHX-MRVPVSSYSA-N	233.287	-0.449	50	10	BBGE	
COC[C@](C)(CC(=O)O)NC(=O)NN(C)C	1975810929	WLKYOLGMTYBMLF-VIFPVBQESA-N	233.268	-0.358	50	10	BBGE	
O=C(NNCCO)c1ccn2nccc2c1	1978928427	YFNBSDZQEDXHHI-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C(CO)CC1	1980961172	MNXBGMJHSJRPPG-IUCAKERBSA-N	227.308	-0.375	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@](=O)[C@H](C)C1	1981188879	RWYMITLCDRZALV-LGZSNQIQSA-N	247.364	-0.546	50	10	BBGE	
COC[C@@H](O[C@@H]1COC(C)(C)C1)C(=O)NN	1981310491	DNVOGNFUWCXYBB-JGVFFNPUSA-N	232.280	-0.425	50	10	BBGE	
CC(C)CCCOc1ncncc1B(O)O	1981422626	RIJAJKMOKAKGEA-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
CN1CCO[C@@H]2CCN(C[C@H](O)CCl)C[C@H]21	1986849697	UAPSIXNVYVAVKA-GMTAPVOTSA-N	248.754	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12CCOC[C@@H]1C2	1990384360	XPWPCGFAHUPETQ-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOCC12CNC2	1991706272	NWSTYSDKIXCBDQ-OWOJBTEDSA-N	244.678	-0.491	50	10	BBGE	
CC(C)CN1CCN([C@H](C)C(=O)NN)CC1=O	1996755331	BWVZEBGSMCRYDT-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
O=C(NC1CCCC1)N[C@H](CB(O)O)C(=O)O	1998129857	CBOLCPRTJSEVRE-SSDOTTSWSA-N	244.056	-0.846	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)N1CCC1	1998340704	SHGXPOHUSFXRDB-UHFFFAOYSA-N	238.027	-0.257	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2004602355	IHAWWJGNJMAOOF-LMLFDSFASA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004911272	FBBODNFVBIIHGM-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
OB(O)c1ccc(N2CC(CC3CC3)C2)nc1	2004912258	QRTQSCIWGABFQF-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
Cc1cnc(O[C@H]2COC[C@H]2C)c(B(O)O)c1	2004925835	WCYINKFESZUFFM-SCZZXKLOSA-N	237.064	-0.516	50	10	BBGE	
C[C@H]1COCC(=O)N1CCC(C)(C)C(=O)NN	2005879234	YQVQZNUHOJTDGB-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCC(O)CC2)C1	2010499905	FQKWLCVHDCPNDZ-JTQLQIEISA-N	241.335	-0.008	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(=O)NC[C@H]1C	2010567211	BYRCJTTTWJVPLA-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3COC[C@@H]32)c1	2013468920	RBLLRPBVDNKDHV-WPRPVWTQSA-N	237.259	-0.286	50	10	BBGE	
CC(=O)N1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	2017294931	JIAAVJKDUUBSJI-SFGNSQDASA-N	240.307	-0.940	50	10	BBGE	
CC1(C)[C@H](O)CCCN1CCOCC(=O)NN	2020205061	CMILKNOYMBTMHG-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023851696	BHCIBAAKQVDFHQ-QCMRWSPLSA-N	239.319	-0.134	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]2C1	2028436936	JIBWKXOBXQHJIK-IUCAKERBSA-N	246.075	-0.150	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3CCO[C@H]3C2)n1	2052554622	XFLMNZYXJFEABZ-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
Cc1nc(-n2cnc(C3CC3)n2)ccc1B(O)O	2052603977	TWXZNNASTVHPJB-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
Cc1nc(N2CC[C@@H](N(C)C)C2)ccc1B(O)O	2052624771	IBNNZAXYSHAUNM-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
COCOc1ccc(F)c(B(O)O)c1F	2056263077	RSESQJCMPOFWCS-UHFFFAOYSA-N	217.964	-0.373	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C12CC(CO1)C2	2072851853	RVWIFNNKXAVGJA-UHFFFAOYSA-N	247.059	-0.516	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccnc2[nH]cnc12	2076082396	TYTCLVUASRWAKY-UHFFFAOYSA-N	246.035	-0.744	50	10	BBGE	
OB(O)c1cnn(Cc2cc3ccccn3n2)c1	2078770684	CLCASRALEJTHAU-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC=C[C@H]1CF	2082873273	JEBBFKYRZVLJLQ-VIFPVBQESA-N	249.050	-0.284	50	10	BBGE	
CC1CN(Cc2ccc(B(O)O)s2)C1	2209685410	CPWCNRXDRMWATP-UHFFFAOYSA-N	211.095	-0.120	50	10	BBGE	
CCN(CC)Cc1nscc1B(O)O	2209703636	UPUDLXQTDQREBL-UHFFFAOYSA-N	214.099	-0.335	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)C1COC1	2212447609	CTUFWMZMBHVLID-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccnc(SC[C@@H]2CCNC2)c1	2212599733	MZVNQRABVGOUCA-MRVPVSSYSA-N	238.121	-0.537	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1ccc(B(O)O)cn1	2212604812	ZGJZWUWBWZHKST-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@]12CCOC2	2215777081	QMYAIZHEVFKYED-UMNHJUIQSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@H](CCN)Oc1cc(B(O)O)c(C)cn1	2217166486	HHJPLNMAWCUTGD-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
NC1(CNc2ncccc2B(O)O)CCCC1	2217175118	DRSOKBJJSOIAOH-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
CC(C)(C)[C@H](CN)Oc1ncccc1B(O)O	2217184881	RVSDWNHCDUZHOW-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
CCN1CC[C@@H]1CNc1ccc(B(O)O)cn1	2217201341	DDGBOJVKNBDVNW-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
N[C@@H]1CN(c2cc(B(O)O)ccn2)CC12CCC2	2223671010	GMEBSQJPRHPCFF-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1c1cc(B(O)O)ccn1	2223678022	WBEOBBHVOBJPQF-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
CN(CC1(Cl)CC1)C(=O)C#CB(O)O	2241479502	ZHWBOTLCQPLACM-UHFFFAOYSA-N	215.445	-0.768	50	10	BBGE	
C=C(CS(=O)(=O)NC/C=C/C)B(O)O	2241481615	UOMRERGAUHXXMH-ONEGZZNKSA-N	219.071	-0.950	50	10	BBGE	
C[C@H](F)CCNC(=O)[C@H]1C[C@H]1B(O)O	2241481940	XLEMRGIOSVOUMN-LYFYHCNISA-N	203.022	-0.286	50	10	BBGE	
C[C@H](OC1(C2CC2)COC1)C(=O)NN	2242111573	BKWPGSBZFDJKPF-LURJTMIESA-N	200.238	-0.440	50	10	BBGE	
CC(C)(CC(F)(F)F)NC(=O)C#CB(O)O	2243349868	RRFXAALLJIHCSC-UHFFFAOYSA-N	236.986	-0.151	50	10	BBGE	
C[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243350241	XYMMLUBHMUPESZ-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC=CCC1	2243358739	KBVUPZNCEQJOBJ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CC[C@H](C)NC(=O)c1nc(C)sc1B(O)O	2243359157	PPFXOJWJHQNZHL-YFKPBYRVSA-N	242.109	-0.340	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2243362937	YOWGCNXMAHZRSN-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
CC[C@H](N)CN(C)C(=O)C1(B(O)O)CCC1	2243364127	RJEIPWMJLPJAPC-QMMMGPOBSA-N	228.101	-0.421	50	10	BBGE	
CON(C)C(=O)c1ccc(Cl)c(B(O)O)c1	2243367260	QDKZQZBUWRSEAL-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
Cc1cc(C(=O)NCCCF)c(B(O)O)s1	2243378178	NZJBJZGNDVXJNW-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
CCCN(OC)C(=O)c1csnc1B(O)O	2243378374	RRXWJQDSHKCRIO-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cs1)C1CC1	2243378625	WRPBUKOXSWBPRR-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
CCCN(O)C(=O)c1sc(C)cc1B(O)O	2243382551	PQIOAZQZQYRDOF-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
Cn1cnnc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243395859	CXFCJLFULZLTHU-IZLXSQMJSA-N	224.029	-0.993	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)C#CB(O)O)[C@H]1C	2243401341	PPXJWOXRFWFNFV-AEJSXWLSSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)Nc1ncc(Cl)cc1F	2243401638	UZAZNBISHGQPQU-UHFFFAOYSA-N	242.402	-0.172	50	10	BBGE	
C[C@H]1CO[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243410244	XUKJAVZHPYGAKP-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@H](C1)C2(F)F	2243415666	ZPBGYOYYXCJXFX-BWBBJGPYSA-N	231.007	-0.427	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)[C@@H]1C[C@@H]1B(O)O	2243427384	URUAJKFDGWJOSD-KVPKETBZSA-N	231.032	-0.908	50	10	BBGE	
O=C(O)C[C@H](CC(=O)NCB(O)O)C1CC1	2245267799	PLKQGCBTMJLHCP-ZETCQYMHSA-N	229.041	-0.994	50	10	BBGE	
OB(O)c1ccc(OCC[C@@H]2CCO2)cc1	2246215478	BQNHVRHUVBYMHW-LLVKDONJSA-N	222.049	-0.076	50	10	BBGE	
C#CCN(CC#N)C(=O)c1cscc1B(O)O	2247736324	UYZLRELVRAOOOK-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
CC[C@@]1(C)CC[C@@H](CNC(=O)C#CB(O)O)O1	2247740989	SIZVGYNDTZXVMW-ONGXEEELSA-N	239.080	-0.534	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2C(=O)C2(B(O)O)CC2)C1	2247754402	GOMUMIGDPAZDTJ-CZMCAQCFSA-N	238.096	-0.667	50	10	BBGE	
CCc1cnc(CNC(=O)C2(B(O)O)CC2)[nH]1	2247754512	MHZMVRQZTGYPAA-UHFFFAOYSA-N	237.068	-0.405	50	10	BBGE	
O=C(N1CC[C@H](O)[C@@H]2CC[C@H]21)C1(B(O)O)CC1	2247758472	ZKQJVUXWKSRERH-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787524	QEZWADFDFSVDMD-UTINFBMNSA-N	241.096	-0.341	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ncc(C)cc1B(O)O	2247791886	PJQQSHNLUDGSCV-MRVPVSSYSA-N	234.064	-0.626	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCNC1	2247797108	GFQSBLQCURUZPE-QXEWZRGKSA-N	240.112	-0.645	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247797358	ISENZDYQTOIBOX-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCN1C	2247805943	LIZJEAFDDKZJEU-IMSYWVGJSA-N	240.112	-0.552	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)nn1	2247807778	JCWNNWIACGWZCL-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@H]1B(O)O	2247808538	LNVREVGVMIKKGP-JGVFFNPUSA-N	231.020	-0.823	50	10	BBGE	
CN(Cc1ncno1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809899	SGEXEQAEYWYDRK-LJGSYFOKSA-N	239.040	-0.719	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccc(B(O)O)o1	2247850465	OSECKVKYDGOVOJ-YUMQZZPRSA-N	235.048	-0.512	50	10	BBGE	
C[C@]12CO[C@](CNC(=O)[C@@H]3C[C@H]3B(O)O)(C1)C2	2247886315	ANISCJBFJNLLKA-OYBPUVFXSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247896754	JYZFJBJHOILKGC-QNSHHTMESA-N	241.096	-0.531	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911130	TVGHFFNQFFCUBC-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cc1O	2247968288	RKJBVJZGITUWQB-NSCUHMNNSA-N	235.048	-0.622	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248587005	KIRUWIUFHXBTGC-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
C=CCN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248587571	RILAHPSQWBXMFX-HTQZYQBOSA-N	241.052	-0.661	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCCN1	2249940483	KBSBWYJEQVAYEZ-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
CON(CC1CC1)c1nccc(B(O)O)c1F	2251020872	XBLPWHOLPBNBST-UHFFFAOYSA-N	240.043	-0.322	50	10	BBGE	
O=C(O)[C@H]1CCCCC[C@H]1C(=O)NCB(O)O	2251311945	ZSYDIIUABWBRKM-SFYZADRCSA-N	243.068	-0.604	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2(CC=CC2)C1	2255459207	CLIYBURGCRAZEQ-UHFFFAOYSA-N	246.075	-0.513	50	10	BBGE	
CC=CCNC(=O)c1ccc(OC)cc1B(O)O	2255524993	XEMKPCBPKFXYJP-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(NCC1=CCCCC1)c1n[nH]cc1B(O)O	2255547563	OGVNPZXTVVIPBR-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
N#CCC1(CNC(=O)c2cc(B(O)O)c[nH]2)CC1	2255669153	KIDUNCLDKNUKPE-UHFFFAOYSA-N	247.063	-0.882	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cc(B(O)O)cn1C	2255717653	LZBZQCQCZUPLMN-SNVBAGLBSA-N	248.091	-0.763	50	10	BBGE	
C=C(C)CCCNC(=O)c1ncncc1B(O)O	2255735119	NKWQBUPWCOLDTI-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)c(C)c1	2255735515	VMTKZABYFRJMIK-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1cccc(C(=O)NC[C@H]2CCO2)c1B(O)O	2255735730	YYCDSJBIPSEWPN-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2258139293	VFLACZVYVRJTPS-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C[C@@H]1CC[C@H]1C(=O)NN	2298165346	VAQGDTNYAQFKGX-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2NCC[C@@H]2C1	2298375509	MTCXIMDYIDFDFL-KATARQTJSA-N	238.096	-0.940	50	10	BBGE	
CC[C@@]1(N)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375552	OKHCKMNSRFFJIQ-WCABBAIRSA-N	240.112	-0.421	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2299580430	GKSNYCSKPVSWKV-CIUDSAMLSA-N	241.096	-0.362	50	10	BBGE	
NNC(=O)CCCCN1CCC2CC1(CO)C2	2299794477	DTPXOZQHKVYTIH-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1CC2CC(Cn3cc(B(O)O)cn3)(C2)O1	2303095923	YXLATNBEIYXKIL-SILCLGDVSA-N	236.080	-0.480	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303109724	UEXQYICVZUOFAW-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1CCOCC(=O)NN	2304253830	TWIRQSJPUZJCSL-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306283574	NRQWLGBURIAPTA-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CN(C)C)N(C)c1cc(B(O)O)ccn1	2306885763	BOVFWTMYSZULDH-VIFPVBQESA-N	237.112	-0.852	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC[C@@H]2C[C@H]12	2312857241	CKBACHFSBLNQBU-JEZHCXPESA-N	249.075	-0.204	50	10	BBGE	
O=C(N[C@H]1CCc2nccn2C1)[C@H]1C[C@H]1B(O)O	2312858310	XYHRQRLMPVPLFB-XHNCKOQMSA-N	249.079	-0.823	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317152095	YFMLVKIZMVSNBM-SKDRFNHKSA-N	246.075	-0.315	50	10	BBGE	
C#C[C@@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317349627	GJVBGOUVZSXUDW-SNVBAGLBSA-N	243.071	-0.362	50	10	BBGE	
Cc1cc(OCC2[C@H]3COC[C@H]23)ncc1B(O)O	2319213547	WWJIBJSWJOBCJZ-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cccs1	35737010	BLHUGQOFUPBPLJ-YFKPBYRVSA-N	213.262	-0.085	50	10	BBGE	
Cc1cccc(CN(C)C(=O)C(=O)NN)c1	42435943	POGDRVIDXKZHPU-UHFFFAOYSA-N	221.260	-0.057	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)CCC(=O)NN	58838628	YMLCHIAWYCFDFN-UHFFFAOYSA-N	231.296	-0.624	50	10	BBGE	
COC[C@H](Cl)CN(C)c1nnnn1C	71077066	HGLBWEJZBFSHSE-ZCFIWIBFSA-N	219.676	-0.100	50	10	BBGE	
CC(C)CN(CCC(=O)NN)CCN(C)C	82469452	FVQUCBPJNAPUCN-UHFFFAOYSA-N	230.356	-0.114	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CCCO1	82469929	GOKNHRRBIWQBET-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COCCn1c(C)ccc(C(=O)NN)c1=O	82670261	XKQRZOUGSNWKHY-UHFFFAOYSA-N	225.248	-0.593	50	10	BBGE	
COCCS(=O)(=O)NCCOCCCl	83212344	KCVGZBRMGVCRCL-UHFFFAOYSA-N	245.728	-0.192	50	10	BBGE	
C[C@H](CN)CSC[C@H]1CC[C@H](C(=O)NN)O1	85320090	VRMFJSNEDHQVLY-IWSPIJDZSA-N	247.364	-0.148	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)NNC(N)=S	86762404	WNSRCMXZVSKOMR-RFZPGFLSSA-N	203.267	-0.724	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@H](C)[C@@H](C)C(=O)NN	93072126	QNQHHVROZLRSTA-RKDXNWHRSA-N	244.339	-0.589	50	10	BBGE	
C[C@H](Cl)C(=O)NCCc1nnn[nH]1	95202948	NDJJXTWTBUAUQJ-BYPYZUCNSA-N	203.633	-0.514	50	10	BBGE	
NNC(=O)c1occc1CN1C(=O)CCC1=O	110579173	MCGHINXTCKHYQQ-UHFFFAOYSA-N	237.215	-0.468	50	10	BBGE	
Cc1cc(B(O)O)cc(C)c1CC(=O)O	196670515	HIQJKVFMDPLYRO-UHFFFAOYSA-N	208.022	-0.390	50	10	BBGE	
OCCCC#Cc1ccc(B(O)O)cc1	197021893	MDXKTOXENVKBJC-UHFFFAOYSA-N	204.034	-0.510	50	10	BBGE	
N#C/C(=C/NCCCO)C(=O)N1CCOCC1	217099470	XJWPTINQWOBQNE-KTKRTIGZSA-N	239.275	-0.775	50	10	BBGE	
C[C@H](CN1CC(=O)OC(=O)C1)[S@](C)=O	228663825	YLKLIZHFSBYLQV-RCNPXXIZSA-N	219.262	-0.861	50	10	BBGE	
COC[C@H](Sc1cnccn1)C(=O)NN	232421178	MSLQMVAGVWXHFH-LURJTMIESA-N	228.277	-0.426	50	10	BBGE	
COC(=O)CCC[C@H]1NC(=O)OC1=O	238334569	JRDYQZDDCZWMQO-RXMQYKEDSA-N	201.178	-0.035	50	10	BBGE	
O=C1CCC(=O)N(C(=O)CCCl)N1	238545614	UEOWWSPIPIRAED-UHFFFAOYSA-N	204.613	-0.205	50	10	BBGE	
O[B-](O)(O)c1ccc(C(F)(F)F)cc1	306292797	VZYSLRSNOGNPCF-UHFFFAOYSA-N	206.936	-0.172	50	10	BBGE	
O=C1O[C@H](CO)[C@H](O)[C@H]1Br	306482716	NDKOWOJLJMQPQS-JJYYJPOSSA-N	211.011	-0.972	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCN(C(N)=O)C1	307236249	NMDBSUCKSZYLNT-PHDIDXHHSA-N	219.672	-0.117	50	10	BBGE	
O[C@H]1O[C@H](CF)[C@@H](O)[C@H](Cl)[C@H]1O	307372769	RJDGZORNPYKEPA-RXRWUWDJSA-N	200.593	-0.998	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ccnc(F)c1	309706175	VKZGMEBRPAZLDS-UHFFFAOYSA-N	227.151	-0.683	50	10	BBGE	
NNC(=O)CCCN1CCN2CC[C@H]1C2	381818467	UAWWKPSCMUBBDH-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
CN(C)C1CN(c2nc(CCl)nc(=N)[nH]2)C1	382656585	SBJRXPUUPWOKPN-UHFFFAOYSA-N	242.714	-0.227	50	10	BBGE	
N[C@@H]1C[C@@H]1NC(=O)c1cnn(CCCl)c1	390117666	DBGLVJXOVWRHHI-SFYZADRCSA-N	228.683	-0.049	50	10	BBGE	
CC(=O)[C@H](Cl)c1cccc(B(O)O)c1CO	396047060	BDOAZMDJHICFDU-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)c(F)c1	396069238	LQUKGGOTEVKKPQ-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1OC	687462858	SRUMNIBTMGTFAR-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CN(C)c1ccc(B(O)O)cc1[N+](=O)[O-]	687762716	LXKVQZQZKIDCIM-UHFFFAOYSA-N	209.998	-0.659	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)CCC(=O)NN	688148431	FENIFRYIHAWBPJ-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@]12COC[C@H]1C2	689290621	WYYVHFQOURUHFW-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1SCCN(CCCC(=O)NN)C1=O	691049885	LMMVBTKUFCXVMT-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
CCn1cc(CN(C)C[C@H](C)C(=O)NN)cn1	693745286	KZSLSZWSSLDZEO-VIFPVBQESA-N	239.323	-0.039	50	10	BBGE	
Cc1cc(C)n(CCn2ccc(B(O)O)n2)n1	694278289	ZMZUEZSCPDPOHW-UHFFFAOYSA-N	234.068	-0.924	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCl	696833511	YXEPNWANBYVEFX-PHDIDXHHSA-N	241.696	-0.847	50	10	BBGE	
CN1CCN(C(=O)OCCl)[C@H](CO)C1	699491371	RASDVZXJUASPDT-ZETCQYMHSA-N	222.672	-0.072	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=O)ccc1C#N	700852481	GWWCWXBJSSEBKW-UHFFFAOYSA-N	219.204	-0.425	50	10	BBGE	
C[C@@H](NC(=O)c1ccco1)C(=O)NNC(N)=O	700887319	LFELTRJIPFHUSW-RXMQYKEDSA-N	240.219	-0.903	50	10	BBGE	
C[C@]1(C(=O)NCB(O)O)CCCS1	702021752	DAAONXCTUYQVHE-SSDOTTSWSA-N	203.072	-0.600	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](N2CCC2)C1	702241006	VMKSPUBRUXVTBT-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](Cc1ccccn1)NC(=O)C(=O)NN	703280060	WPGQRMLXKWVYFG-ZETCQYMHSA-N	222.248	-0.881	50	10	BBGE	
CNNC(=O)Cc1c(C)nc(O)nc1C	704622835	LOSYSDFTGCVRFQ-UHFFFAOYSA-N	210.237	-0.408	50	10	BBGE	
O=C(NCB(O)O)c1occc1Br	706478931	RPQMQTOWSVEXPW-UHFFFAOYSA-N	247.841	-0.216	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@@H](C1)C2(F)F	715406936	ZAXISCWHQWMVHS-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
CN(C)C(=O)NNC(=S)NC[C@H]1CCCO1	745736174	WHZDQYRAVFDRNO-SSDOTTSWSA-N	246.336	-0.184	50	10	BBGE	
CCC(COC)=NNC(=O)c1cn(C)nn1	853386955	XZVVRPCPGCPLQJ-UHFFFAOYSA-N	225.252	-0.043	50	10	BBGE	
C/C=C\CNC(=O)NNC(=O)[C@H]1CCC(=O)N1	858701277	KPEJSNSAWUNNKM-SKRYNEFJSA-N	240.263	-0.829	50	10	BBGE	
C=CC[C@@H](NNC(=O)COC)C(=O)OC	905765654	FIMXNLZUWJFVDJ-SSDOTTSWSA-N	216.237	-0.629	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ncccn1	1331313959	DXNGJYRHOFYMNF-RNFRBKRXSA-N	235.247	-0.171	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)Cc1ccsc1	1586097399	JIVXWQAYKSPSLN-MRVPVSSYSA-N	240.284	-0.015	50	10	BBGE	
CC(C)C(=O)NNC(=O)/C=C/C(=O)N(C)C	1587203149	DANUHNGTJSTNDW-AATRIKPKSA-N	227.264	-0.566	50	10	BBGE	
O=C(CCCCl)NC1(CO)COC1	1882926837	ATWGCTKWNMOGPN-UHFFFAOYSA-N	207.657	-0.117	50	10	BBGE	
O=C(Cn1ccnn1)NOCCCl	1883019172	UTDLYWIRJKSBOE-UHFFFAOYSA-N	204.617	-0.435	50	10	BBGE	
NS(=O)(=O)c1n[nH]c([C@H]2C[C@H]2Cl)n1	1883635274	VAUQDZBGRAMPHE-STHAYSLISA-N	222.657	-0.453	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)[C@@H](O)C1(C)C	1885615400	AKGDVDYJBIQTBF-RRKCRQDMSA-N	221.684	-0.044	50	10	BBGE	
NNC(=O)CN1CC[C@]12C[C@@H](CF)C2	1885780201	DBGQVLRQRQPPOT-XWEPSHTISA-N	201.245	-0.200	50	10	BBGE	
COC(=O)c1cc(S)c(C)c(B(O)O)c1	1887507829	NCDNNZNCDHKEPO-UHFFFAOYSA-N	226.062	-0.250	50	10	BBGE	
CO[C@H]1C[C@@](CO)(NS(=O)(=O)CCl)C1	1895832155	IFJWQAKIICWRRM-KNVOCYPGSA-N	243.712	-0.358	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@@H]32)c(F)c1	1899254138	UHMAOUSXGPWAJN-MUWHJKNJSA-N	222.028	-0.501	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1901869843	HQYLWTMGYPBWAO-AXTSPUMRSA-N	227.308	-0.136	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]1SC	1905231567	VJDOZKFPPUUQEG-IWSPIJDZSA-N	247.364	-0.183	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1ccccc1B(O)O	1910489291	OHPGLVGWJNSLKY-BDAKNGLRSA-N	233.076	-0.248	50	10	BBGE	
CO[C@H](C)COC[C@]12C[C@](C(=O)NN)(CO1)C2	1911212605	FTBXNPCPELSNEB-FBIMIBRVSA-N	244.291	-0.423	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@@H]2C1	1927918564	UZFIDIVEAZPQQV-ZYUZMQFOSA-N	209.293	-0.046	50	10	BBGE	
OCC[C@@H]1CN(C[C@@H](O)CCl)C[C@H]1CO	1930350707	AFTAJIADGBAWSB-UTLUCORTSA-N	237.727	-0.491	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CCCOC2)CC1	1932291033	QHKXXCFTOSOZGZ-MRVPVSSYSA-N	214.265	-0.048	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	1933231028	KMECKTVTWYJIBH-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	1937462056	ZJCRISKTTCVKAF-OYNCUSHFSA-N	227.308	-0.829	50	10	BBGE	
COC1(CCl)CN(C(=O)c2cn(C)nn2)C1	1940014200	BUMQFBFRMSLTGD-UHFFFAOYSA-N	244.682	-0.105	50	10	BBGE	
CO[C@H](CN(C)C[C@H]1C[C@@H]1C(=O)NN)C1CC1	1941085375	LNSPFMWPZIDGQZ-OUAUKWLOSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](CCF)C1	1941086022	PKGUNLRPOXLPOZ-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@]1(C)CO	1941088555	GJDRVMQLBMRKTM-DTHBNOIPSA-N	241.335	-0.437	50	10	BBGE	
CC(C)(F)CC(=O)Nc1cc(B(O)O)ccn1	1947081977	XZOCTUQPOAZHNR-UHFFFAOYSA-N	240.043	-0.162	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1ccc(C(=O)NN)o1	1947985322	HJHFNINBQHIHDL-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(C[C@H](O)CCl)C1	1956260275	HXZXKJHPYQPYKW-VXNVDRBHSA-N	220.700	-0.217	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2CCC[C@@H]21	1956782336	QIWUBDPZIVQZOY-JGVFFNPUSA-N	215.322	-0.054	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC[C@](O)(CO)C1	1957317405	IGGLSHKUAYYCLR-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCC(=O)NCCOC	1958796667	CRLUEFTZLXRXJE-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
CON(CCOCC(=O)NN)C1CCC1	1960127547	XKQSEHPLHGSALK-UHFFFAOYSA-N	217.269	-0.591	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H]2C[C@@H]21	1961509822	VZPASGRSMVVTCO-LURQLKTLSA-N	211.265	-0.915	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CC[C@@]12CCCO2	1976842549	VMHSTARLCLCCHW-XVKPBYJWSA-N	227.264	-0.854	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@H](CO)[C@@H]2C1	1985466150	WRMKVSUANHMJTG-ILWJIGKKSA-N	227.308	-0.683	50	10	BBGE	
CC(C)(CN1C[C@@H]2COCC[C@H]21)C(=O)NN	1989936772	SPGHRYYXKMRWPJ-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CC1(C(=O)NCC=CB(O)O)CCOCC1	1991327313	PJKKORMNIPLQGV-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1991705178	BGMQQGNLMCPSCZ-MGKBZNPOSA-N	247.678	-0.349	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(F)C[C@@H]2CO)CC1	1996892773	JKOXMRYUORNHCT-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cn(C)cn1	1997724561	BSMNESWKDIVYKH-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
N#CC1CN(C(=O)N2CCC(O)(C#N)CC2)C1	2000715867	HBLYTYDSGCUENC-UHFFFAOYSA-N	234.259	-0.088	50	10	BBGE	
OB(O)c1ccn(CCN2C[C@H]3CC[C@H]2C3)n1	2001354496	JVKTZYXBFYGJMS-UWVGGRQHSA-N	235.096	-0.953	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@@H](C)CO2)c(C)c1B(O)O	2001600427	NVELTRHAKYPJQU-XCBNKYQSSA-N	238.096	-0.395	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)C1(CF)CCC1	2001683929	XCYJVNQXLGGCQM-ZCFIWIBFSA-N	247.031	-0.832	50	10	BBGE	
CCNC(=O)C1CN([C@H](C)CCC(=O)NN)C1	2002652853	SNBKWFVSHPJGCH-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC3(CC3)C2)n1	2003506593	WYQNFIDONSKQDF-UHFFFAOYSA-N	235.291	-0.381	50	10	BBGE	
C[C@@H](C#N)CN(CCOCC(=O)NN)C1CC1	2003767758	SCHIFUVPQNDJIB-VIFPVBQESA-N	240.307	-0.383	50	10	BBGE	
NNC(=O)CN1CCO[C@H]([C@@H]2CCCCO2)C1	2004402183	NMHUORIZPAZFMW-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
CN(CC1CC(F)C1)c1ncncc1B(O)O	2004911653	JOBILOKZYJLYGS-UHFFFAOYSA-N	239.059	-0.659	50	10	BBGE	
C[C@H](COc1cc(F)cc(B(O)O)c1)N(C)C	2008382151	WPJPUEUFBKXVGS-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C=CCCC1	2008844486	OGCYNOVSUZVQQT-JTQLQIEISA-N	233.076	-0.116	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCCC23CC3)nc1	2011898087	GWDXYXHHBSPNCV-VIFPVBQESA-N	234.064	-0.132	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC(O)C[C@H]2C1	2012905291	YXBCBFUKJFJGNS-ATZCPNFKSA-N	241.335	-0.152	50	10	BBGE	
N#CCC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	2013465950	LKGAPXVBKFEJPW-NXEZZACHSA-N	238.291	-0.631	50	10	BBGE	
Cc1ccc(CN(C)c2ncc(B(O)O)cn2)o1	2052469691	UFBPRTMGQUWXCF-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1ncnc(N(C)c2cccnc2)c1B(O)O	2052552919	ZRBXJNGCYQXWDN-UHFFFAOYSA-N	244.063	-0.372	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2052621345	GCGKRHQZQGSAIU-QTKMDUPCSA-N	244.103	-0.086	50	10	BBGE	
Cc1cnc(N2CC(C)(N(C)C)C2)c(B(O)O)c1	2052626195	TZEJCRSIOKCHFX-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C[C@H](C(=O)NN)c1ccccc1	2062248786	YRJITVVTOXZIRU-USWWRNFRSA-N	249.314	-0.175	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ccccc1B(O)O	2079008680	AUKVUBHRQPWQJT-ZDUSSCGKSA-N	245.087	-0.102	50	10	BBGE	
COC(=O)c1scc(B(O)O)c1C	2209312184	LNAKUYQRSVCGGN-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
CN(CC(=O)NN)[C@H](CO)CC1CC1	2209568191	MTMLTQBNCWGXHH-QMMMGPOBSA-N	201.270	-0.931	50	10	BBGE	
O=c1ccccn1Cc1cc(B(O)O)cs1	2211072006	HUUSKEXQHLGABR-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
CN1CCC[C@@H]1COc1nc(B(O)O)cs1	2211856874	DKKKQPAPMCIAGF-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
C[C@@H](CN(C)C[C@]1(F)CCOC1)C(=O)NN	2212153855	SJKOFOJBZYJSDT-WCBMZHEXSA-N	233.287	-0.327	50	10	BBGE	
CC[C@](C)(CO)Sc1ncc(B(O)O)cn1	2212601894	VMYOFIZQGJJDEF-SECBINFHSA-N	242.109	-0.591	50	10	BBGE	
C[C@H]1C[C@H]1CNc1nccc(B(O)O)c1F	2212605414	DDWDIPOMTOMLSY-BQBZGAKWSA-N	224.044	-0.032	50	10	BBGE	
CO[C@H]1CC[C@H]1Cn1nc(C)c(B(O)O)c1C	2215113449	MFYPIMUYLKALLG-UWVGGRQHSA-N	238.096	-0.395	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCCC[C@H]1CO	2215775375	GOFIXKCMCSRZQJ-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC(F)(F)C1	2216400972	JVTGGKKCSWCWCK-ZCFIWIBFSA-N	244.006	-0.277	50	10	BBGE	
CN(C[C@@H]1CCN1C)CC1(C(=O)NN)CCC1	2216534460	OAIBFKZSXYCRMT-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CCC[C@H](CCN)Oc1ncccc1B(O)O	2217172137	IQOAJWMCBMEMKO-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC3(CC3)C2)nc1	2217173541	SABMGXSSODCRRU-VIFPVBQESA-N	233.080	-0.099	50	10	BBGE	
C[C@H]1COCCN1c1nccc(B(O)O)c1F	2217178658	ABDHBWMOHBKLRL-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1ccnc(NC2CCOCC2)c1F	2217179442	KSJDXCLFUCFHLQ-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
Cc1cnc(O[C@@H]2CO[C@H](C)C2)cc1B(O)O	2217179788	OKHORSILTUSZAW-BDAKNGLRSA-N	237.064	-0.374	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)c(C)cn1	2217184713	RDVMQLWJVDHMTC-SECBINFHSA-N	236.080	-0.581	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Nc1ccc(B(O)O)cn1	2217200048	QQHKJMLGKHYDPY-DTWKUNHWSA-N	235.096	-0.701	50	10	BBGE	
C[C@]1(N)CCCN(Cc2cccc(B(O)O)c2)C1	2220068336	NYQAYBCRLITRAY-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
CC1(C)CC[C@H](CNc2cc(B(O)O)ccn2)N1	2223627866	OEGNWPKHUKSFQP-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
Cc1cnc(N[C@@H](C)c2cnn[nH]2)cc1B(O)O	2223649386	XUOKNHNJZAZNBF-ZETCQYMHSA-N	247.067	-0.639	50	10	BBGE	
NC(=O)NC(=O)CN[C@H]1C[C@H](Cl)C1	2241670357	ORHRDXJDOMOIQZ-URHBZAFASA-N	205.645	-0.459	50	10	BBGE	
CSC[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243349766	QDLMGELENSFKIC-SECBINFHSA-N	241.121	-0.397	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1CNC(=O)C#CB(O)O	2243361655	FEQSLAZXKSQDIB-IMTBSYHQSA-N	231.007	-0.591	50	10	BBGE	
CCC[C@@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390708	ABBAQWHNWVQOED-CIUDSAMLSA-N	228.101	-0.517	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccc(B(O)O)s1	2243407272	OUHUCVDIDWJRAF-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
CC(C)CNC(=O)c1ccncc1B(O)O	2243409984	SLQDINKQAXACMW-UHFFFAOYSA-N	222.053	-0.853	50	10	BBGE	
C=CCN(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243427543	XCLXCAPPPFJYMR-DTORHVGOSA-N	227.069	-0.754	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243696772	DUHNASXVKAAPSS-XHNCKOQMSA-N	228.101	-0.660	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(F)(F)C1	2244217431	QPDGDLLZUSJYLK-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
COc1ccc(=NC(=O)NC(=O)CCl)[nH]n1	2245992859	KZOAQBYYGOWBCQ-UHFFFAOYSA-N	244.638	-0.206	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C[C@H]2C1	2247723664	VJVNBMCHFYJNDD-OCAPTIKFSA-N	235.048	-0.640	50	10	BBGE	
CC(C)C1(O)CCN(C(=O)C#CB(O)O)CC1	2247742032	JPIBGPZHBKULNP-UHFFFAOYSA-N	239.080	-0.989	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1F	2247752311	MTTINDSEJJTZNP-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786680	FCFVAZBHHAVOFK-WCABBAIRSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC1([C@@H]2CCCO2)CC1)[C@@H]1C[C@H]1B(O)O	2247793690	ZJQVHXMQBISVSO-HLTSFMKQSA-N	239.080	-0.323	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247807481	IKCZMGUQMZVXPJ-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
COc1ncc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247858151	BCBOBELWIMWATH-NKWVEPMBSA-N	237.024	-0.713	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)N1CCC1	2247871897	JBZBORWBSJJNLR-UHFFFAOYSA-N	236.080	-0.405	50	10	BBGE	
COCC[C@H](COC)NC(=O)C1(B(O)O)CC1	2247874190	KDTAKPKNSZABNW-MRVPVSSYSA-N	245.084	-0.839	50	10	BBGE	
C=C[C@H](NC(=O)c1occc1B(O)O)C1CC1	2247877899	GFDMPACKCYYQIF-VIFPVBQESA-N	235.048	-0.346	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1occc1B(O)O	2247879591	VZROCUVKIUFJLP-RXMQYKEDSA-N	244.990	-0.656	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895290	QWVDNOJPUXISFR-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898912	IOCZBAIPWVXJBA-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247899189	LFTOANNCHKNZBN-CBQIKETKSA-N	245.034	-0.181	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248577929	QBZQNGPALSKLDY-NYNCVSEMSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248578506	UIURFAUSPDJIQG-BWZBUEFSSA-N	241.052	-0.685	50	10	BBGE	
O=C(C1[C@H]2COC[C@H]12)N1CCC(B(O)O)CC1	2249357859	SNJAYLBWPCCNRD-IUCAKERBSA-N	239.080	-0.656	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250690746	IADKSYNJAWTGDV-FOLWWEGKSA-N	238.096	-0.953	50	10	BBGE	
C[C@H](N)c1ccc(CNC(=O)C#CB(O)O)cc1	2255468534	CABSDTXPSQTXEE-VIFPVBQESA-N	246.075	-0.662	50	10	BBGE	
C=CCC1(NC(=O)c2ccc(B(O)O)cn2)CC1	2255674742	OVPWKCQZWYPQRJ-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C=C[C@H]1C2	2255677755	CPDURNRECYOTBH-BDAKNGLRSA-N	247.059	-0.250	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1ccoc1B(O)O	2255715422	FMDQLOKBTQSGCC-PSASIEDQSA-N	249.075	-0.265	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1C	2255726532	DYTLKQYAYMAHCV-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)oc1C)C1CC1	2255728055	ZHEKLFJMEQRTNC-JTQLQIEISA-N	249.075	-0.038	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ccncc1B(O)O	2255729220	RKMSOPNDRDVTDV-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	2298106687	BCZNDFWYSJBSTP-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)C1(B(O)O)CC1)C2	2298375027	MYIRMEGRAQMYPJ-HRDYMLBCSA-N	238.096	-0.668	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H](O)C1)[C@@H]1C[C@H]1B(O)O	2298376939	YNRYQJMPZPINGM-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC2CC1(CO)C2	2299760202	MSYSAGSMVUBJHH-UHFFFAOYSA-N	241.291	-1.000	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2299936455	SSPJODXJSFUHEA-WPRPVWTQSA-N	241.096	-0.245	50	10	BBGE	
CO[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2301338585	KKVGVRZYFFDUOR-QMMMGPOBSA-N	234.064	-0.315	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@@H](C)CCCC(=O)NN	2302049450	HETDCTPBPGSERM-DTWKUNHWSA-N	244.339	-0.399	50	10	BBGE	
COC1(CN2CC[C@@H](B(O)O)C2)CCOCC1	2303097105	LYFQDFGSPOBYQD-SNVBAGLBSA-N	243.112	-0.269	50	10	BBGE	
O=C(N[C@H]1CCn2nccc2C1)[C@@H]1C[C@H]1B(O)O	2312852413	RGMHOAIADWPCHO-FXBDTBDDSA-N	249.079	-0.823	50	10	BBGE	
NC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccccc1	2312856671	JKFHGCVBNZPZKF-GMTAPVOTSA-N	248.091	-0.335	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@H]1C[C@@H]1N	2317307251	ZHRKOHNVBSFXSX-KOLSJAJHSA-N	249.075	-0.707	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NC(=O)C1(O)CC1	2317930990	BDSAEYGMCDZPBB-UHFFFAOYSA-N	249.075	-0.553	50	10	BBGE	
Cn1c([N+](=O)[O-])cnc1C/C=N\NC(N)=O	48546948	PBZUHYYGYBLPSJ-KMKOMSMNSA-N	226.196	-0.475	50	10	BBGE	
NNC(=O)c1nnc2ccc(C(F)(F)F)nn12	75848707	UZQDCRBISPLBDF-UHFFFAOYSA-N	246.152	-0.253	50	10	BBGE	
COC[C@@H]1CCN(CCC(=O)NN)C1	81120968	ZSUKKUHPERITAC-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CC(N)=O)C(C)C	82469988	FXLVJMRXRQZGLG-SECBINFHSA-N	230.312	-0.803	50	10	BBGE	
Cc1nsc(SCC(=O)NN)n1	87518306	OSZSNZUAUVLQJF-UHFFFAOYSA-N	204.280	-0.071	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC[C@@H]2CCCO2)O1	110554146	BRNXMQXVAOUSJO-LPEHRKFASA-N	244.291	-0.281	50	10	BBGE	
CNC(=O)C1CCN([C@H](C)CC(=O)NN)CC1	110592989	AIIOOPHFTUPQPO-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
Cc1cnc(=O)n(Cc2ccoc2C(=O)NN)c1	110603688	ZUFHZUPCBJCAIP-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@@H](CN1[C@@H]2CC[C@@H]1CC(O)C2)C(=O)NN	111214696	KFBORZVGJURRKC-DJLDLDEBSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NN(C)C	149077334	XCCIQUFGNJSZPV-RNFRBKRXSA-N	215.253	-0.032	50	10	BBGE	
O=C(C[C@@H]1CCCN1)N1CCC[C@H]1B(O)O	196000645	YYTNIOPYAZSXTQ-IUCAKERBSA-N	226.085	-0.869	50	10	BBGE	
C[C@@H](CC(N)=O)NS(=O)(=O)CCCl	232301504	HRISHZADOWGMOJ-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
CC[C@@H](C)[C@@H](N)C(=O)NNCC(=O)OC	238268103	KMBCOMXXNIJREG-HTRCEHHLSA-N	217.269	-0.846	50	10	BBGE	
CCOc1ccc(N)c(N)c1C(=O)NN	238286007	ULCAQOMOBPOLQS-UHFFFAOYSA-N	210.237	-0.147	50	10	BBGE	
OB(O)c1csc(N2CCCCC2)n1	238658184	WYJFWOBEKHCYTB-UHFFFAOYSA-N	212.083	-0.187	50	10	BBGE	
NNC(=O)N1C(=O)COc2ccc(N)cc21	258858818	YHBUAKSNHKXDSV-UHFFFAOYSA-N	222.204	-0.423	50	10	BBGE	
CC[C@H](SCC(=O)NC1CC1)C(=O)NN	300867259	QEKPXNQRPXYBMH-ZETCQYMHSA-N	231.321	-0.233	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3CC[C@H]2O3)CC(=O)O1	304336128	UZKNOBJGFPILDL-DJLDLDEBSA-N	225.244	-0.061	50	10	BBGE	
O=[N+]([O-])c1c(Br)cncc1B(O)O	306816582	IWTQZCWVPNYPBY-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
NNC(=O)c1cnn2ccc(Cl)nc12	307392641	ZGRZHDVDBSPNSR-UHFFFAOYSA-N	211.612	-0.014	50	10	BBGE	
Nc1cnc(B(O)O)cc1C(F)(F)F	307538878	WXFKMGRIJYSZGM-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CSCC(=O)NN=Cc1cnc(N)nc1	308850145	QXBIOJKZQKXAKN-UHFFFAOYSA-N	225.277	-0.128	50	10	BBGE	
CN(Cc1nncn1C)C[C@H](Cl)C(=O)O	309044828	MIOHLNWTFYYSOH-LURJTMIESA-N	232.671	-0.061	50	10	BBGE	
O=C(O)C(=O)NN=c1[nH]nc(C2CC2)s1	380233523	LYFIQQSDESJSQL-UHFFFAOYSA-N	228.233	-0.635	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CN)C1	380809228	JHWRNFHDYBBNPQ-NGZCFLSTSA-N	228.340	-0.328	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](CO)CC1)C(=O)NN	382154099	QQSIBRBYBYTWLZ-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
COCCOCCN(C)[C@H](C)[C@@H](C)C(=O)NN	383247399	FOBUPQSBLNIFIK-NXEZZACHSA-N	247.339	-0.404	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](CO)CC1	383282131	YEZJEQFSSHQECF-JTQLQIEISA-N	243.307	-0.752	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1CC(=O)NNc1ccccn1	385156845	FLRARQJTPZFXDI-UWVGGRQHSA-N	249.318	-0.054	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C(=O)NC(=O)[C@@H]2C1	388103287	VBOBEEYBBLLUJX-RRKCRQDMSA-N	227.651	-0.678	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](O)[C@H]1C	395109885	SFCVNBWBTTTYEK-AXTSPUMRSA-N	229.324	-0.154	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1OC	396033789	RLXSYSVADZNMND-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
COC(=O)CCc1cc(C#N)ccc1B(O)O	396092320	ATTFCVQAGYPGDY-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)c2nc[nH]c12	396097559	JCTMATKNQFROSJ-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
CCOC(=O)c1cc(CCC#N)cc(B(O)O)c1	396135717	FWGYCJPAMUJBAH-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
O=Cc1cccc2c(CO)c(B(O)O)sc12	396335264	KMXOLGDRDHIPPL-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1c(B(O)O)c(O)cc2sccc12	396384619	PFRTYARFPFAGAL-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)OCC(C)(C)NC(=O)C(=O)NN	396390336	YUESJKXCMNBTSB-UHFFFAOYSA-N	217.269	-0.704	50	10	BBGE	
CN(CC[S@@](C)=O)C[C@@H](Cl)C(=O)O	398964412	QSUMOBHJFRMZKM-CAAJLBCPSA-N	227.713	-0.011	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)[C@@H](C)[C@@H]1C	399640245	XHXXAGOXLFLXIZ-CSMHCCOUSA-N	213.281	-0.131	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@H](C)[C@@H](C)C(=O)NN	401902443	DZPGWAYYNSKNGH-JLIMGVALSA-N	229.324	-0.154	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)cc1	404962071	CWYVSXRJYFUMNN-UHFFFAOYSA-N	220.037	-0.326	50	10	BBGE	
C[C@H]1CCO[C@H]1C(=O)Nc1cccc(B(O)O)c1	405031428	PSOFPBTWRXUSLD-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
O=C(NCB(O)O)Nc1ccc(F)cc1	575598262	BOVYBSOTPWNZBJ-UHFFFAOYSA-N	211.989	-0.041	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689157469	DBZDFAKBVSQJNS-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
Cc1ccc(OCc2nncn2C)c(B(O)O)c1	690858216	IJIHRVIATZSZLF-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C[C@H](C)O	695080367	WPFPPXWJZZYNEM-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(O)C1	695082538	SBNRRGAHJBVKEO-QMMMGPOBSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702300290	JWMDYQUOXHRAJZ-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1B(O)O	709680539	WRLFKOGHEZGROD-LDYMZIIASA-N	249.075	-0.352	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCS[C@H](CO)C1	720069167	NPISYNMGYGOWTA-DTWKUNHWSA-N	247.364	-0.589	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSCC1	725663099	BKQVSLCNUGZCHW-HTQZYQBOSA-N	215.322	-0.339	50	10	BBGE	
CO[C@H]1CN(S(=O)(=O)CCCl)C[C@@H]1O	725706452	ZOZQEVLLNMXXDC-BQBZGAKWSA-N	243.712	-0.754	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	770850351	BBUNYQLMGQBWKF-SFYZADRCSA-N	230.264	-0.405	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@H]2CCCCO2)CC1	843601404	MEOOBBQILHUAJU-MRVPVSSYSA-N	242.275	-0.118	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)NC1CC1	843775296	UTSSFYSCOWNUAJ-UHFFFAOYSA-N	201.201	-0.019	50	10	BBGE	
C=C(CCN(C)C)C(=O)NNC(=O)NC1CC1	900382380	CGDKEZVGKSZKKW-UHFFFAOYSA-N	240.307	-0.013	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@]1(C)CCCO1	910165385	HNQSYCTXADOZKW-WPRPVWTQSA-N	216.281	-0.101	50	10	BBGE	
CCC[C@@H](O)CC(=O)NNC(=O)c1ncon1	1179588532	LYCDVQJQJFSBJA-ZCFIWIBFSA-N	242.235	-0.618	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCNC(=O)CC1	1440723228	RPUOMXIGFAIMDM-ZETCQYMHSA-N	213.237	-0.930	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1449365998	FYWRIFWLEHDQOX-BDAKNGLRSA-N	243.307	-0.503	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCn2ncnc21	1540576181	BIBJGOUKHPXTKI-SSDOTTSWSA-N	223.236	-0.677	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@]2(O)CCOC2)nc1	1637755339	WRVHNUZKIQDDQV-NSHDSACASA-N	248.242	-0.452	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)C[C@@H]1CO	1883943717	XEZXXILYQCDAQV-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
OC[C@H](O)C1CN(C[C@@H]2C[C@@H]2Cl)C1	1887171257	MRUCENJUSYTFDX-XVYDVKMFSA-N	205.685	-0.101	50	10	BBGE	
O=C(CCCCl)N1CC[C@@H](O)[C@@H](O)C1	1887705461	WXDYZOCGIRCCLQ-SFYZADRCSA-N	221.684	-0.041	50	10	BBGE	
CC(C)CNC(=O)NCC=CB(O)O	1892924079	MNDQNSBQBAKNCT-UHFFFAOYSA-N	200.047	-0.490	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@](O)(CO)C1	1893445524	CTCQIVVLJUMQKI-BKPPORCPSA-N	219.668	-0.431	50	10	BBGE	
O=C(F)N[C@@H](C(=O)O)C1CS(=O)(=O)C1	1893841374	HFAVJYPZNCXHAV-SCSAIBSYSA-N	225.197	-0.837	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@]1(C)CC	1900194310	VUJLSJWIVFHZPI-WCABBAIRSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@]1(C)COCCO1	1900892889	NAXPRCLUFTYBDN-WPRPVWTQSA-N	232.280	-0.423	50	10	BBGE	
CC[C@@H]1CN[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901339422	NTEWPVCAUNJFNL-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H](N)C1(C)C)S(C)(=O)=O	1901377719	RVLUVSWVAFFEQN-RQJHMYQMSA-N	249.336	-0.718	50	10	BBGE	
C[C@@]12C[C@@H]1CN(Cc1nc(B(O)O)cs1)C2	1902643392	YLNKXSBWQVODNQ-XCBNKYQSSA-N	238.121	-0.335	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1C[C@H]1F	1907455153	DTVSMCHGLZHLHN-PSASIEDQSA-N	237.039	-0.659	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1909253553	YPNKHKVABSONPU-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CN1C[C@H](C)N(C)C1=O)C(=O)NN	1912281429	ZZQYYASNKRKXDU-BQBZGAKWSA-N	214.269	-0.632	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)C(F)(F)F)C1	1923406749	OTXGAPCUBARVIV-UHFFFAOYSA-N	224.138	-0.325	50	10	BBGE	
C[C@]1(OCCOCC(=O)NN)CCOC1	1928536452	ILUHJJJNISHVOV-VIFPVBQESA-N	218.253	-0.812	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@]2(CO)C[C@]2(CO)C1	1928562835	TWBBSCMLQQNVOM-IVZWLZJFSA-N	230.695	-0.206	50	10	BBGE	
CCCN(CCOCC(=O)NN)OC	1928675870	XIIMVBIQKCXHNO-UHFFFAOYSA-N	205.258	-0.734	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1CO)OCCl	1928734560	AYUGRDVKJPKFNT-PHDIDXHHSA-N	209.629	-0.084	50	10	BBGE	
C[C@@H]1CCOCCN1[C@H](C)C(=O)NN	1929658489	ALERKDUNOZLAHJ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC(C)(O)[C@H]1CCCCN1CC(=O)NN	1930118177	LWKGJKICQLBGOH-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C(F)(F)C12CCC2	1930396837	WYNPLJGZBLPDLC-RXMQYKEDSA-N	218.996	-0.450	50	10	BBGE	
CS(=O)(=O)CCN1CC(OCCCl)C1	1932098735	ALWNPONWJNGCPQ-UHFFFAOYSA-N	241.740	-0.029	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NN)[C@@H]1C	1934286547	ILDLZICPORODKN-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1COCCO1	1935544798	ADYPUCVHFNDBBK-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CN(C)CCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936089109	UFXHPIHWXMOUSC-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
CC1(C)COCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936093592	FYCRYZDZRWJVRR-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)CC1(C)C	1936625252	FQIZVDLBLOZKIM-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC(O)C2)C1	1937044077	WWKQHUWDPRZVQU-VIFPVBQESA-N	227.308	-0.542	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@H](O)[C@H]2C1)C(=O)NN	1938376704	UPFXSMVWUXOFCS-XHNCKOQMSA-N	227.308	-0.685	50	10	BBGE	
CC(C)n1cc(OCCOCC(=O)NN)cn1	1941773364	XCKOCZOSHFKRHU-UHFFFAOYSA-N	242.279	-0.151	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CCC(O)(C#N)CC1	1946111718	ZBSWUZCAQZWWHG-SNVBAGLBSA-N	237.303	-0.042	50	10	BBGE	
C[C@H](C(=O)Nc1ccc(B(O)O)cc1)N(C)C	1946128532	BQRZUDGPSQLDPO-MRVPVSSYSA-N	236.080	-0.745	50	10	BBGE	
CCn1cncc1CN(C)C[C@@H](C)C(=O)NN	1947538390	QROOQJYTUFUQEM-SECBINFHSA-N	239.323	-0.039	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H]1C[C@H](O)C2)C(=O)NN	1949277607	QTLVWYCJMPMBKW-MYJAWHEDSA-N	241.335	-0.010	50	10	BBGE	
Cn1nc([C@H]2CC(=O)OC2=O)ccc1=O	1952355660	RUVQJVFLMQFOSQ-RXMQYKEDSA-N	208.173	-0.663	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@H](O)CCl	1954178024	OFWSZLAYVWQZCE-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
C[C@H]1CC(=O)NCCN1C[C@H](O)CCl	1956255969	HAXGLIUGDXZQNU-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
O=C(CCl)N[C@H]1CCn2ncnc2C1	1956300557	PEKWLFXBZCQIIY-LURJTMIESA-N	214.656	-0.052	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H]1C	1959198637	VMNFCZNTMWURIE-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(F)(CO)C1	1961737830	YROCAUSOVBWMOY-SSDOTTSWSA-N	219.260	-0.983	50	10	BBGE	
N[C@@H](B(O)O)c1cccc2c1OCCO2	1974940852	GLEVLBGAYBVIMO-SECBINFHSA-N	209.010	-0.530	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]1CN(C)C	1976934504	SPYWGHXQAFUTBC-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CCF)C1	1979205620	OKFNBHZEBWCQPI-DTWKUNHWSA-N	233.287	-0.327	50	10	BBGE	
NNC(=O)CCN1CCOc2ncccc21	1981043138	JEEROGIPPGWIFB-UHFFFAOYSA-N	222.248	-0.340	50	10	BBGE	
C[C@H](CN1CC[C@]12C[C@@H](CO)C2)C(=O)NN	1985561742	JQSSCRLDEPMSGL-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
Cc1nc(OC(CF)CF)ncc1B(O)O	1985997851	SRKBMNIWRBYWCN-UHFFFAOYSA-N	231.995	-0.849	50	10	BBGE	
NCCn1c(=O)ccn(C[C@@H]2C[C@@H]2Cl)c1=O	1991438895	ORHANBXSUDHQFC-YUMQZZPRSA-N	243.694	-0.404	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@H]1C[C@@H]1Cl	1991439731	UWAGQYSOWDYAGL-ZJUUUORDSA-N	245.754	-0.023	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CCC(=O)NC1	1991648650	RDIFSSLDHOBBSZ-SSDOTTSWSA-N	244.678	-0.050	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1O[C@H]2C=C[C@H]1CC2	1992326960	REOSIGTZXJAELJ-XFWSIPNHSA-N	223.276	-0.053	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@@]2(CO)C1	1992491144	UPHJPXLBEAYNCT-KOLCDFICSA-N	227.308	-0.539	50	10	BBGE	
CN(CCOC(F)F)C[C@@H]1C[C@@H]1C(=O)NN	1993958914	FPRCSTPKVQTIHJ-BQBZGAKWSA-N	237.250	-0.217	50	10	BBGE	
O=C(CCC1CC1)Nc1ncc(B(O)O)cn1	1996645256	HRXCWZDEBLEEKL-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
CC1CC(CC(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998137562	MSCVFUOCQBXQJP-RRQHEKLDSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(n2cnnc2)C1	2003860456	PARWULYIASXXIA-HTQZYQBOSA-N	238.295	-0.851	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1CCOCC(=O)NN	2004910656	YEKUQRJBQDPYBM-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)c1ccncc1B(O)O	2004930754	WHDPDUQWCSQSGX-LDYMZIIASA-N	236.080	-0.768	50	10	BBGE	
COC[C@H](C)Oc1nc(C)nc(C)c1B(O)O	2004934365	QOBPTPXNGKWLGC-LURJTMIESA-N	240.068	-0.813	50	10	BBGE	
CO[C@H](C)CN(C)c1ncc(C)cc1B(O)O	2005018853	ZJSOFXIEVUYLLN-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3(COC3)C2)C1	2010833201	PIZXIAFJBLDTSX-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2[C@@H](C(=O)NN)C(C)(C)C	2014231337	JEGTWSDRYYSDIG-AEJSXWLSSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1CCCN(C2CN([C@H](C)C(=O)NN)C2)C1	2014767376	XAGTUGAGDCGFEZ-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCC(=O)N(C)C1	2014820764	KJUCYXFPZVBZRT-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)[C@@H]1CCOC1	2014927346	ZNSBIAUYTNJUHT-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
Cc1nc(C(=O)N[C@@H]2CCC=C2B(O)O)co1	2020056498	LMQBOJCDTQLBJY-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
CO[C@H](C(=O)NCC=CB(O)O)C1CCCC1	2020068101	NYOQJDPHEUCSCU-JTQLQIEISA-N	241.096	-0.124	50	10	BBGE	
Cc1nn(CCc2cccnn2)c(C)c1B(O)O	2029680199	GNFKMLZQKVPKCQ-UHFFFAOYSA-N	246.079	-0.788	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ncnc(C)c1B(O)O)C2	2052558575	UVCKXRFCAKCYAO-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
Cc1nc(-n2cnc(C(C)C)n2)ncc1B(O)O	2052596174	FBMLNOOVXKIZFS-UHFFFAOYSA-N	247.067	-0.831	50	10	BBGE	
OB(O)c1cccc(COCc2ccnnc2)c1	2086133478	QXWPNSRQROQBDU-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
O=C(CCl)N[C@H]1CCn2cnnc2C1	2209860987	LLSGFHLEWUMMKJ-LURJTMIESA-N	214.656	-0.052	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2C[C@@]2(F)C1	2210010158	NZUZBUQMACSRJC-VXNVDRBHSA-N	201.245	-0.200	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC#CCCO	2210521884	MDNZHUZDQHMILS-RKDXNWHRSA-N	223.228	-0.711	50	10	BBGE	
OB(O)c1csc(CN2CCC23COC3)c1	2211079791	PCJUAPYOLBUSLZ-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
CS[C@H]1CC[C@@H]1Nc1ncc(B(O)O)cn1	2212602819	KGGFHKNFOCNEMX-YUMQZZPRSA-N	239.109	-0.538	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCOC2)c1F	2212605334	CAHXMNAAWNCKPI-ZCFIWIBFSA-N	227.000	-0.932	50	10	BBGE	
Cc1cc(Oc2cc(B(O)O)ccn2)n[nH]1	2212608052	GSRBQGDWJYUIOZ-UHFFFAOYSA-N	219.009	-0.415	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1ncccc1B(O)O	2212615989	YAUFTQNKMLTURT-JGVFFNPUSA-N	224.069	-0.810	50	10	BBGE	
Cc1nccn(C[C@H]2CC[C@@H]2C(=O)NN)c1=O	2215770583	COZOFTRAKIDQSC-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
CC[C@@]1(Nc2ccc(B(O)O)cn2)CCOC1	2217175493	JSBULAKNAXVWIZ-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
N[C@H]1C[C@@](F)(CNc2ncccc2B(O)O)C1	2217177555	KGIVAGCBBOHNDV-GVJMRKKJSA-N	239.059	-0.997	50	10	BBGE	
C[C@]1(N)CCCN(c2ncccc2B(O)O)C1	2217178487	WOZMIDVMPZVTAU-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
Cc1cnc(N[C@@H](C)CN(C)C)cc1B(O)O	2217184464	PBDOMTPGMDDGKW-VIFPVBQESA-N	237.112	-0.568	50	10	BBGE	
CNC1CCC(Nc2cc(B(O)O)ccn2)CC1	2223628214	PZCJLXXAMSOMIU-UHFFFAOYSA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1ccc(OCCc2ccccn2)nc1	2223639608	FJUUUQRRDYZBRN-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
CCn1ccnc1CNc1ccc(B(O)O)cn1	2223640863	ZHHYMNGEMRMTSK-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
CC1(C)CNCCCN1c1ccc(B(O)O)cn1	2223651222	AZOKBVYHTBCHHE-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1Nc1ncccc1B(O)O	2223667637	RCBBGYHARGSVAT-KOLCDFICSA-N	249.123	-0.487	50	10	BBGE	
C[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CN1C	2223669173	GYQFZHUDURQIFE-UWVGGRQHSA-N	249.123	-0.487	50	10	BBGE	
O=C(F)N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2241297579	LYOBQVXFAPNBMH-LYFYHCNISA-N	205.185	-0.464	50	10	BBGE	
C[C@@H]1CC(=O)N1S(=O)(=O)N1CC(Cl)C1	2241354317	WDZKFRPQRXNHNN-RXMQYKEDSA-N	238.696	-0.225	50	10	BBGE	
CSCC[C@@H](C)NC(=O)C#CB(O)O	2241468206	JAIWZOVHNCVUJC-SSDOTTSWSA-N	215.083	-0.740	50	10	BBGE	
O=C(N[C@@H]1CCSC1)[C@@H]1C[C@@H]1B(O)O	2241480690	NKXKIQVAIQPLBE-QYNIQEEDSA-N	215.083	-0.529	50	10	BBGE	
O=C(CCl)N1CC(O)(C(F)(F)CO)C1	2242115396	AQRJKRXZZLVXKR-UHFFFAOYSA-N	229.610	-0.574	50	10	BBGE	
CN(Cc1ccccn1)C(=O)C#CB(O)O	2243356361	GQRPBBOKFIKXDD-UHFFFAOYSA-N	218.021	-0.945	50	10	BBGE	
CC[C@H]1C[C@H]1CCN(C)C(=O)C#CB(O)O	2243361466	BTRKQEBSIWCODQ-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1csnn1	2243363483	HOLVOYGDWLYGFC-RXMQYKEDSA-N	241.081	-0.278	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(F)c1F	2243399572	NTYJGLANYKFARI-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)C1(B(O)O)CC1	2243409061	AJUWXPLIPAVIDE-QMMMGPOBSA-N	225.053	-0.545	50	10	BBGE	
C#C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2243419801	HALFXUXYSOVQQH-LPEHRKFASA-N	221.065	-0.233	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2C[C@@]2(F)C1	2243420799	ZNJOFMRLZJQZGX-BDNRQGISSA-N	227.044	-0.190	50	10	BBGE	
CC1(C(=O)NCCC#CB(O)O)CC(F)C1	2244550674	UOANGBZBQCZKGT-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H](C)[C@@H]2C)n1	2247140531	CELMPVLRRCFVKS-SFYZADRCSA-N	236.080	-0.385	50	10	BBGE	
COCc1ccccc1NC(=O)C#CB(O)O	2247742933	WKWZOSYQSGEOAY-UHFFFAOYSA-N	233.032	-0.213	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@@H]2C1)C(=O)C#CB(O)O	2247743504	DZWMNTBLDTYKKP-RTCCRHLQSA-N	235.092	-0.104	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(C)cc1B(O)O	2247752249	LRGRPIGRUGDFAL-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
CCN1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247753168	CFYMJZDKPVHCIB-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCC[C@H]1O	2247757189	PFFMJXPZRYHGDF-DJLDLDEBSA-N	241.096	-0.341	50	10	BBGE	
CCCC1(NC(=O)c2cc(B(O)O)n[nH]2)CC1	2247785084	FUDCVXXQINVTFD-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
Cc1ocnc1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247792004	PSZLKKAVXCEPJH-YUMQZZPRSA-N	238.052	-0.495	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247798470	UMMRFWYTWDAZOG-NFTFJBJSSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cncn1C	2247798524	VBWAGBUGMBUCTJ-RNJXMRFFSA-N	237.068	-0.540	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H](CO)CC1	2247800240	NDIVTTNRXDVXFQ-AEJSXWLSSA-N	241.096	-0.530	50	10	BBGE	
CN1CC[C@](C)(NC(=O)C2CC(B(O)O)C2)C1	2247806941	GWHDIEPFSXSLRW-AMUVOQDHSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)C2(CC2)C1	2247809113	NYMGIHRMGXFBMT-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
CCCOC[C@@H]1CCCN1C(=O)C#CB(O)O	2247849971	HVURORSCBZRDPW-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
N#Cc1ccc(NC(=O)C#CB(O)O)c(F)c1	2247851377	YLUQEUVZBQGWSJ-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
COCc1cccc(NC(=O)C#CB(O)O)c1	2247852698	YIBZCZRIXIWANM-UHFFFAOYSA-N	233.032	-0.213	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1ccoc1B(O)O	2247866829	TVDYOCUDZDCJHE-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(C)c(B(O)O)s1	2247874795	PHEABQSLWIESOW-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
O=C(NC1CC2(CCOC2)C1)C1(B(O)O)CC1	2247879999	ZTJNZSFJNDVZRZ-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247887794	RRSCOKMUWQMSJS-LOKLDPHHSA-N	238.096	-0.811	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2247888073	VPPLGMQXDRLQKH-FHNUBNKASA-N	239.080	-0.372	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C(=O)[C@H]1C[C@H]1B(O)O	2247899252	LTSZJSICBIABKB-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2248587979	XJNHPXKRKOJAMP-XLPZGREQSA-N	243.068	-0.439	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1cc(B(O)O)ccn1	2248741349	NNEQJRZFRJCQLS-WPRPVWTQSA-N	232.092	-0.004	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2250596950	RELGMXGGEPZREV-GUBZILKMSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ccncc2B(O)O)C1	2255454233	VVMBTCUADNBCDX-BDAKNGLRSA-N	248.091	-0.320	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(F)c(B(O)O)c1	2255500120	HLODKACFVNZRLW-SECBINFHSA-N	249.050	-0.189	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C1CC=CC1	2255518964	QVHBWSGSPYHXKZ-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C[C@H]1CCC=C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2255554969	URIJUKOUUIVKDN-IONNQARKSA-N	249.079	-0.826	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13	2255670506	YTPWISHFRYKJCG-SPFNVWMYSA-N	249.075	-0.924	50	10	BBGE	
COC1CN(C(=O)c2ccc(B(O)O)cc2C)C1	2255683418	WGRUVRBWNDTPMT-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cc(B(O)O)oc2C)C1	2255720709	VEUCPQVGNIWNOG-VIFPVBQESA-N	249.075	-0.084	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ncccc1B(O)O	2255722897	VJRXGQJWLQKCAH-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ccncc1B(O)O	2255729221	RKMSOPNDRDVTDV-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1nccnc1B(O)O	2256067481	PREVSZUQJAOVIR-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]2CC[C@@H]21	2258133457	OWHDNBOVHSTALH-KCJUWKMLSA-N	249.075	-0.026	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298369816	GMKBFNNIKKLDMS-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
CC1([C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C(=O)O)CC1	2298463126	QKSBFKAUSHLKDM-VQVTYTSYSA-N	241.052	-0.781	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2299935619	YFHZSMNWUMODJI-LOKLDPHHSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](CN)COc1ccc(B(O)O)cc1C#N	2301338242	GREFWBAYECIYAI-MRVPVSSYSA-N	234.064	-0.788	50	10	BBGE	
O=Cc1ccc(N2CC[C@H](F)C2)cc1B(O)O	2301421555	VZZSXWHJBIZWMC-VIFPVBQESA-N	237.039	-0.273	50	10	BBGE	
CN[C@@H](COc1cc(B(O)O)ccn1)C(C)C	2302495008	NVXCHGUEKXHPAB-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
C[C@H](C(=O)N1CCCC1)N1CC[C@H](B(O)O)C1	2303100196	XANWDKYZHACNIC-ZJUUUORDSA-N	240.112	-0.454	50	10	BBGE	
N[C@H]1C[C@H](COc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614462	PHYVUNBMGSASJA-HJGDQZAQSA-N	248.091	-0.877	50	10	BBGE	
CN(C=C(C#N)C(=O)NCCCl)CCO	2318462946	TXEULXLCMRPOAL-UHFFFAOYSA-N	231.683	-0.327	50	10	BBGE	
Cc1c(CO)ccc(NC(=O)C#CB(O)O)c1C	2319469791	LGCQHLVNOKFACO-UHFFFAOYSA-N	247.059	-0.250	50	10	BBGE	
CCNC=C(C#N)C(=O)NCCC(=O)O	2324140403	NJDPNESALSIEOQ-UHFFFAOYSA-N	211.221	-0.406	50	10	BBGE	
CCOC(OCC)C(=O)NNC(C)=O	57354324	CZSWMKPVHATYQJ-UHFFFAOYSA-N	204.226	-0.447	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1ccc(C(N)=O)n1	82877940	OJVDPGKTXLVVDS-ZETCQYMHSA-N	225.252	-0.831	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1ccc(C(N)=O)n1	86313854	GJIWHAOMYDNSTK-NTSWFWBYSA-N	225.252	-0.831	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@@H](O)C2)cc1	97812278	JVHXYFPUMVDTQR-GFCCVEGCSA-N	249.314	-0.214	50	10	BBGE	
O=C(O)/C=C\C(=O)NNC(=O)c1ccccn1	102427150	DHVJRLDHEAGMRT-PLNGDYQASA-N	235.199	-0.517	50	10	BBGE	
COC1CCN(Cc2ccccc2B(O)O)CC1	199004366	LVHWBSSTPMPPCO-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](NC(=S)[C@@H]1CCCN1)B(O)O	200437332	PADUPDZPAMBNNR-WDSKDSINSA-N	202.088	-0.944	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)[C@@H](C)CCl	227260606	NOJRNYJDVKPMFF-WDSKDSINSA-N	223.656	-0.489	50	10	BBGE	
C[C@H]1C(=O)NCCN1C[C@@H](Cl)C#N	228519290	RQROMTZUWKCFLN-BQBZGAKWSA-N	201.657	-0.062	50	10	BBGE	
CO[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	230335575	JMTJKTBGPKYARY-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H](C)C#N	232419658	SODGEMNKYSPNTH-JGVFFNPUSA-N	214.269	-0.917	50	10	BBGE	
COC[C@H](SC[C@H](C)CO)C(=O)NN	232421665	CIMKAHJFSKJFMS-RQJHMYQMSA-N	222.310	-0.647	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)C[C@@H]1CN	235276252	BKDCROWPNFNYRC-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)CCO1	251577111	CFVGTCLRENNQKG-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1c(CC2(O)CC2)ccc2c1OCO2	258219453	JLWKUIDNMFFBOR-UHFFFAOYSA-N	236.032	-0.838	50	10	BBGE	
CNNC(=O)C[C@@H](N)c1ccc2[nH]c(=O)[nH]c2c1	259196948	YKOBBNONXFGGLQ-SSDOTTSWSA-N	249.274	-0.503	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CN2CCN1CC2	306643697	XMUTYUKDVAVHQF-DTWKUNHWSA-N	231.727	-0.270	50	10	BBGE	
CC[C@@H](C)S(=O)(=O)NNC(=O)OC	308231800	OZTKMXGHTHMZMC-RXMQYKEDSA-N	210.255	-0.025	50	10	BBGE	
CCC1(O)CN(C[C@@H](C)C(=O)NN)C1	384190646	ZGQHWGZSPPZMET-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
COC1CN(Cc2cccc(B(O)O)c2)C1	390113867	YWENCIUZUIHXSV-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
CCOCC(=O)NN=C1CC(C(=O)O)C1	393497367	SKHQOIZKEASZCZ-UHFFFAOYSA-N	214.221	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(C(C)C)C1	394909404	MNZFIRXSGFFCJX-MRVPVSSYSA-N	215.297	-0.542	50	10	BBGE	
COCC[C@]1(C(=O)NN)CCN(C)C1	399513630	HPXRNRMTBKUFBU-SECBINFHSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2CC2)C[C@H]1C	402803472	YFCZTXPLFYLOAJ-NXEZZACHSA-N	240.351	-0.077	50	10	BBGE	
Cc1ccoc1C(=O)Nc1ccnc(B(O)O)c1	404905318	CIWFVDNJCCUYGI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C/C=C/C(=O)Nc1ccc(B(O)O)cc1	404940555	KODJGQIXDWYOCD-NSCUHMNNSA-N	205.022	-0.119	50	10	BBGE	
CCOCC(=O)Nc1ccc(C)c(B(O)O)c1	404989197	YWNZRBWSSAVPIQ-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
CCC1(C(=O)Nc2cc(B(O)O)ccn2)CC1	404990385	ZZCQSEIOHQJUPW-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@]1(C)CCC(=O)NC1	496808049	HFYHNVXLBOZMCB-JTQLQIEISA-N	243.263	-0.368	50	10	BBGE	
OB(O)c1ccc(CNCC2=CCOCC2)cc1	585043807	SGINWSRALFEXJW-UHFFFAOYSA-N	247.103	-0.197	50	10	BBGE	
CN(CCC(=O)NN)C[C@]1(C)CCOC1	687518992	CEHIRYDAJBGSKB-JTQLQIEISA-N	215.297	-0.275	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCOCCN)CC1	692132061	LJAOXODNMMKVLH-UHFFFAOYSA-N	241.291	-0.771	50	10	BBGE	
CO[C@H]1CCC[C@H]1n1nc(C)c(B(O)O)c1C	694306895	DUTRJUZSQHIUBY-ZJUUUORDSA-N	238.096	-0.080	50	10	BBGE	
CC1CN(Cc2ccc(B(O)O)cc2F)C1	698566457	XZQOOUWXFIWJDD-UHFFFAOYSA-N	223.056	-0.043	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(C)COC1	702970038	SNHZALYUEZFBFM-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@H]1CC[C@@H](C(=O)NN)O1	703551504	JTHOCNBISDFJSL-IMSYWVGJSA-N	244.291	-0.425	50	10	BBGE	
COc1ccc(CN2CC[C@H]3C[C@H]32)cc1B(O)O	706927280	GJEZLAUNXCUCQZ-CMPLNLGQSA-N	247.103	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1C(C)(C)O	707559589	VYBGXIMVHXLSOT-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@H](C)O)C1CC1	709378452	RQDNAXPIDARKBS-IONNQARKSA-N	215.297	-0.400	50	10	BBGE	
CC(=O)NNC(=O)CN1CCNCCC1(C)C	712557663	KUDFCKHKJHJYNI-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
CN(CCCC(=O)NN)CC12CCN(CC1)C2	715565524	RXQMCPWMDYXFLE-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CN(C)C[C@@H](CCl)NS(C)(=O)=O	716779003	OJFHZICGVWBQLG-ZCFIWIBFSA-N	214.718	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718261617	WRZMBBHRUSNCCS-KAMPLNKDSA-N	239.319	-0.136	50	10	BBGE	
O=C(CO)NNC(=O)Nc1ccc2nccn2c1	756676825	UTAKPBCOFVOKDC-UHFFFAOYSA-N	249.230	-0.521	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc(O)c1	781934004	SPVSCPOJLYRPKL-UHFFFAOYSA-N	209.205	-0.034	50	10	BBGE	
CC(C)C(=O)NN=Cc1cnc(N)nc1N	842520132	CGIFDNRKLPGJAA-UHFFFAOYSA-N	222.252	-0.253	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)NCc1ccco1	1442294192	SRZXXQCNKAICDH-UHFFFAOYSA-N	239.231	-0.342	50	10	BBGE	
O=C1C[C@H](c2c[nH]nc2[N+](=O)[O-])C(=O)O1	1535752265	JYRSSUWUKNFVTM-GSVOUGTGSA-N	211.133	-0.125	50	10	BBGE	
CCNC(=O)NNC(=O)CCCCNC(N)=O	1597671842	ILVRWUSUNZCGOO-UHFFFAOYSA-N	245.283	-0.825	50	10	BBGE	
C#CC(=O)NNC(=O)c1cccc(OC)c1O	1648482708	UOVJDBVFAWRXKF-UHFFFAOYSA-N	234.211	-0.205	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc(=O)n(C)c2)n1	1651001548	YYLMBQIETWRFGQ-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(=O)c1ncccn1	1681483991	UHPVAEADIHDCOD-ZETCQYMHSA-N	248.246	-0.420	50	10	BBGE	
N=c1[nH][nH]c(=NC[C@@H]2C[C@@H]2Br)[nH]1	1877394103	MVSXGDPZGYVAMK-IMJSIDKUSA-N	232.085	-0.166	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@@H]32)n1	1878765749	DFVPSQQCIQTMEQ-RITPCOANSA-N	210.067	-0.579	50	10	BBGE	
NOCC(=O)NC1CC(Br)C1	1880297929	VYAVYWHGPLWEPA-UHFFFAOYSA-N	223.070	-0.081	50	10	BBGE	
O=C(NC(CO)CO)[C@H]1C[C@@H]1Br	1881364050	CUSYAKGERAODDF-WDSKDSINSA-N	238.081	-0.761	50	10	BBGE	
COCCN(C1COC1)S(=O)(=O)CCl	1890503676	MXNIOMITHWTVLF-UHFFFAOYSA-N	243.712	-0.140	50	10	BBGE	
O=C(NC1(C(=O)O)CNC1)[C@H]1C[C@@H]1Cl	1893452797	IMMJQCXPQMRHMP-WHFBIAKZSA-N	218.640	-0.844	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@H](C)CC(=O)NN	1895543267	OBFNBEKVBUSLKG-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CC[C@](C)(CSCCNCCN)C(=O)NN	1902715319	GGHZHHLIPRTGAA-SNVBAGLBSA-N	248.396	-0.326	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccsc1B(O)O	1905062820	HBHHTCOLYIYJLV-OLQVQODUSA-N	243.068	-0.342	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccoc1B(O)O	1905063821	VYMRFBHHPJXBLN-OLQVQODUSA-N	227.000	-0.810	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC([N+](=O)[O-])C2)C1	1909604711	PRXPEHAPFUZRLU-JGVFFNPUSA-N	242.279	-0.647	50	10	BBGE	
C[C@H](N=S(C)(C)=O)[C@@H](C)C(=O)NN	1913513019	BWMANHDOODBQMC-RITPCOANSA-N	207.299	-0.272	50	10	BBGE	
CC[S@](C)(=O)=N[C@H](COC)C(=O)NN	1913889108	UOGBPZKMKQYIQK-RCNPXXIZSA-N	223.298	-0.891	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC1(O)CCC1	1914572666	AXBBHXPOKWCMHW-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](C(=O)O)S(=O)(=O)N1CC=C(C#N)CC1	1917075254	YOJPEROWCNLYSD-ZETCQYMHSA-N	244.272	-0.055	50	10	BBGE	
CCOC(=O)NNC(=O)CC1OCCO1	1923535461	DWULAAWTYVKDDX-UHFFFAOYSA-N	218.209	-0.473	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927913841	NSWIRGRXRJBJKQ-HRDYMLBCSA-N	210.281	-0.154	50	10	BBGE	
CN(CCCC(=O)NN)CC(C)(C)CO	1931081158	WOPFWRFUIZVSDC-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
NC(=O)[C@@H](N=c1[nH]nc(CCl)o1)C1CC1	1932376137	QZXMDROTYXQCLV-LURJTMIESA-N	230.655	-0.094	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCCO)C1CC1	1936093505	FHCSMGASWMPIIS-WPRPVWTQSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1C	1936095321	VYVCAKPXSHWALK-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)COCCn1ccc(C2CC2)n1	1936530376	QLSGKRGTRMODFV-UHFFFAOYSA-N	224.264	-0.233	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CCOC1=O	1937404716	WFYDIUZBQCRGDZ-UHFFFAOYSA-N	249.654	-0.497	50	10	BBGE	
CC[C@@]1(O)CCN(CCCCC(=O)NN)C1	1937983985	KSBGAMBCTKFAAK-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCC2)C[C@H]1CO	1938466012	XUBOKXBMBGGMOY-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CO)C1(C)C)C(=O)NN	1938475805	WWVJTZUHEJZYNE-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(C)O[C@H]1CCN(C(=O)C(=O)NN)C1	1939064488	GUTAHNBOFWFLDB-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
COCC(COC)N(C)C[C@H]1C[C@@H]1C(=O)NN	1941085246	LJHFSZBKXWOHFU-SCZZXKLOSA-N	245.323	-0.794	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCO)C1CCCC1	1941086152	HLWLAGMIINCDMV-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1941089400	VOGIUHGFNAVMFG-IUCAKERBSA-N	242.323	-0.931	50	10	BBGE	
CN1CC[C@H]2CCN(CCC(=O)NN)C[C@H]2C1	1944029549	NEPFUVFHTQXUDD-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@@H]1CN	1945007868	RGYSSBRLNWVKGU-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](N)[C@H]1C	1946655052	XBWWPMAJMBSLPZ-RNSXUZJQSA-N	242.323	-0.789	50	10	BBGE	
C[C@]1(CCS(C)(=O)=O)CC(=O)OC1=O	1955557877	HOQWQKWDUZHEMD-QMMMGPOBSA-N	220.246	-0.099	50	10	BBGE	
CCN1CCN(C[C@@H](O)CCl)C(=O)C1	1956857754	HGWIVDAMSYLFAL-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
CC1CC(CO)(N(C)CCC(=O)NN)C1	1960063328	QCEFWCYLELEMKH-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
O=C(NNCCO)c1ccc(F)c(O)c1	1961238682	ZWXBNWVHYWYNQI-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
CN(CC(=O)NN)C1(CO)CCCCC1	1961282131	ZCFDHLUWLUDECA-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC(=O)NN)CCN1C	1961290162	FXEJPIDDKBWVPY-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H]1CCN(c2ccncc2B(O)O)C1	1961695072	YLSIHWZXXCUHKO-MRVPVSSYSA-N	206.054	-0.392	50	10	BBGE	
OB(O)c1ccc(Sc2nncs2)nc1	1961724497	SLWINTGDAZASPB-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1962322154	LMXAQPKEVFDEHW-LURQLKTLSA-N	213.281	-0.811	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@H](O)C1	1975304966	XKTLQIDMMOXYBB-JBDRJPRFSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1csc(C(=O)NN)n1	1975981339	CWJZRMLKJDCSRE-RXMQYKEDSA-N	240.288	-0.133	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]1(C)COCCO1	1982115360	PJZUSICBXCHUNF-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CO)CCC1CC2	1984277260	XICKLWRZCAOXCC-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](Cl)CN1c1nnnn1C	1984282865	GEFDVAPFCMLNTK-HTQZYQBOSA-N	244.730	-0.042	50	10	BBGE	
OB(O)c1cnn(CC2C[C@@H]3CC[C@H]3C2)c1	1988175677	PGLDIKBRENVZIH-UWVGGRQHSA-N	220.081	-0.001	50	10	BBGE	
N[C@@]1(C(=O)O)CCN(C(=O)C=CC(=O)Cl)C1	1991647544	FQPOKDOSLCFTST-VIFPVBQESA-N	246.650	-0.678	50	10	BBGE	
O=C(O)CN1CC(NC(=O)C2CC(Cl)C2)C1	1991695978	CZHUSWMOLQQHDR-UHFFFAOYSA-N	246.694	-0.111	50	10	BBGE	
CC1(C)C[C@H]1CCC(=O)NCC#CB(O)O	1992152279	CIKZQBDFLALFKP-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN(C)[C@@H]1CN2CCC1CC2)B(O)O	1992152393	DVDULNLSVPSRLM-LLVKDONJSA-N	224.113	-0.419	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3COC[C@H]32)n1	1992340443	ZHSBRWWPPQIGAQ-NKWVEPMBSA-N	240.093	-0.952	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C2	2001049784	QISUFRYNJHWBIN-BTQIBKBOSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCCN1CCn2ncnc2C1	2003930758	MYQPSHVEZKWGGL-UHFFFAOYSA-N	238.295	-0.746	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncc(B(O)O)cn3)C[C@H]21	2004911652	JMWFNPPZKWZLOY-DTORHVGOSA-N	233.080	-0.751	50	10	BBGE	
Cc1nc(N2CCC23COC3)ccc1B(O)O	2005016523	QLTUAYRKUQYVRL-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1C[C@@H]1F	2006989570	UPAHNLDMTXIDMD-UWVGGRQHSA-N	237.039	-0.659	50	10	BBGE	
CN(C)CCOCc1nn(C)cc1C(=O)NN	2007006887	ZHAIQHCASJNMTH-UHFFFAOYSA-N	241.295	-0.898	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2CC[C@H]2N)CC1	2011703422	PTQGNJXDTIIXEY-NXEZZACHSA-N	237.303	-0.009	50	10	BBGE	
CC[C@@H](CN(C)c1ncccc1B(O)O)OC	2014867440	SSNKDMNLBUXWPT-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC#CB(O)O)[C@@H]1C	2021156985	GBDGHSZTUAXPBY-RGOKHQFPSA-N	239.080	-0.823	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2C[C@H]21	2022200555	VLCMEGBCVTXPNY-GZMMTYOYSA-N	231.060	-0.399	50	10	BBGE	
NNC(=O)c1cncc(CN2CC3(COC3)C2)c1	2027473856	CPZCGRQSFRPJGT-UHFFFAOYSA-N	248.286	-0.483	50	10	BBGE	
C[C@H]1CCOCCN1Cc1cccc(B(O)O)c1	2031609631	KKSASBZFHTVIMK-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]2(N)CC[C@H]3C[C@@H]32)CC1	2046942112	WRARMEQSDBDWJV-KWBADKCTSA-N	249.314	-0.009	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@H]2CCN(C)C2)n1	2052625577	ZVEBBDCLIKHKCE-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@H]1C[C@H]1C1CC1	2058156314	SQSGXZFTAFWEKM-JQWIXIFHSA-N	247.103	-0.036	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)cc1C	2060140998	HGDRXDOOFNFXIG-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2nncn2c1	2076078607	JEPQBWPPLGZZEM-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
C[C@H](OC[C@@H]1CCCN1C)C(=O)NN	2209910320	YLTJNEQXQXWZDF-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)s2)CCO1	2211077530	FGRAMYFDNNFJAW-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CN(C)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838939	NTISVYJSQZPWTD-SCZZXKLOSA-N	226.324	-0.752	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2CCCS2)nc1	2212604655	YGMAOBUULOKCQJ-MRVPVSSYSA-N	239.109	-0.536	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCO2)c1	2212608748	LJNTXQJFQLYWLK-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
C=C[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612306	JSOUBSWGDIHMIH-VIFPVBQESA-N	218.065	-0.226	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215770861	DZCJVOZOFYOGMM-SCVCMEIPSA-N	239.319	-0.375	50	10	BBGE	
CCN(CC(=O)NC)CC1(C(=O)NN)CCC1	2216527615	FQBSKHBMWZMDPA-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
Cc1cnc(O[C@@H]2COC[C@@H]2C)cc1B(O)O	2217171933	HASIUOFYIDXKAQ-WCBMZHEXSA-N	237.064	-0.516	50	10	BBGE	
C[C@H](CCN(C)C)Nc1cc(B(O)O)ccn1	2217176105	RIWXQQAETKBAQF-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
CCCCCCCn1cc(B(O)O)cnc1=O	2217410546	HYDAOLFFQUHJCJ-UHFFFAOYSA-N	238.096	-0.107	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@]12CCCOC2	2223628134	PBABDBHPRJTSDP-JQWIXIFHSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCNC12CC2	2223628540	DKRBHGHDMZTEAN-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)ccn2)CC[C@@H]1N	2223634192	HJKNOKJINZXGPF-JTQLQIEISA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23CCOC[C@H]2C3)c1	2223634807	OSPPWAZDELKBRO-BXKDBHETSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(OC[C@@H]2NC[C@H]3C[C@H]32)cc1B(O)O	2223649237	VXQMLCYSJDJCTF-KKZNHRDASA-N	248.091	-0.943	50	10	BBGE	
OB(O)c1ccc(OC[C@]23CC[C@H]2CNC3)nc1	2223655725	DOPHAUMKKSDHAZ-JOYOIKCWSA-N	248.091	-0.860	50	10	BBGE	
CC(C)CN(C)C(=O)c1nscc1B(O)O	2243348048	SLMGRKJBIWRVLZ-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
CCONC(=O)c1cccc(C)c1B(O)O	2243366704	HSCXEBKVXGWIKZ-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
CC1(N)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243383154	UVGCXIYEHIDWBQ-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](F)[C@@H](F)C1	2243391632	MPYXSPYXCXNNSL-XAMCCFCMSA-N	233.023	-0.242	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]2C[C@H]2C1	2243399414	LTTDWOOYFBJGRB-KXUCPTDWSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2sccc2B(O)O)C1	2243408323	LCJVSRXTPDFTMM-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCOC1	2243413715	MDNSYGKVWPTRMH-HACHORDNSA-N	227.069	-0.513	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)co1	2244210559	GDFXLANWHRWLHX-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)C(F)F	2244243044	YWGHIIWOAVCIFW-SCSAIBSYSA-N	234.970	-0.067	50	10	BBGE	
CC1(OCc2cc(C(=O)NN)no2)COC1	2245011027	JEPKPNYQVCHCFG-UHFFFAOYSA-N	227.220	-0.416	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]2CCCC[C@H]21	2246629613	IAHBKPGKAKVRSC-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)oc1C	2247738935	WPBIRTCVEAZOIH-UHFFFAOYSA-N	235.048	-0.591	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ccoc1B(O)O	2247741395	ZCDCNCPUUHRTJK-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CCc1c(NC(=O)C2(B(O)O)CC2)cnn1C	2247750036	DDTCHRBFEYYTOG-UHFFFAOYSA-N	237.068	-0.072	50	10	BBGE	
COC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C	2247751605	ZKECDOJLCFDMTH-RKDXNWHRSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CNC[C@@H]21)C1(B(O)O)CCC1	2247753247	DHANYGYHAHJLSG-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@@]1(CN)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786268	YIJRJAJZBAFSOA-NGZCFLSTSA-N	240.112	-0.563	50	10	BBGE	
CCCN1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247789853	BYDUPPCDLACDJT-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@H]1O	2247798587	VPTUSJCGIWTTEL-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2247803315	AMJMUBAPYZHTRA-MBXMOIHESA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC(CCO)CC1	2247806396	FLDBJWPFGWZKOS-UWVGGRQHSA-N	241.096	-0.530	50	10	BBGE	
CCc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2247810350	WPCFZDUIYDOBTB-YUMQZZPRSA-N	238.052	-0.284	50	10	BBGE	
CC1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2247859366	MILBCKKMMXAWHK-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cncc(B(O)O)c1	2247874368	LLEMYFQGPGHVKX-GMSGAONNSA-N	234.064	-0.758	50	10	BBGE	
CCC(CC)NC(=O)c1cn(C)c(B(O)O)n1	2247880398	ZZPWGOCTIDIYMW-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1nccn1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247895326	RFNHZPSWBWXEON-DTWKUNHWSA-N	237.068	-0.829	50	10	BBGE	
CO[C@H]1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909234	GXYVBOHDEJFFQP-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](CN(C)C)NC(=O)C1CC(B(O)O)C1	2247909306	HXSYSEFCIBDVDE-RTBKNWGFSA-N	242.128	-0.304	50	10	BBGE	
O=C(O)CN(CC1CC1)C(=O)[C@@H]1C[C@H]1B(O)O	2248573829	KBJWPKMIPLVUSD-HTQZYQBOSA-N	241.052	-0.828	50	10	BBGE	
CC=CC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248588354	BRKPCNCXDMEWKM-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
C[C@@H](CF)N(C)CCn1cc(C(=O)NN)nn1	2249274275	JJQIHRCQBKOCCW-ZETCQYMHSA-N	244.274	-0.829	50	10	BBGE	
Cn1nccc1CCN1CCC(B(O)O)CC1	2249354833	IBVZBSVWQCRFQV-UHFFFAOYSA-N	237.112	-0.099	50	10	BBGE	
CN(C)CCCCCNC(=O)[C@@H]1C[C@H]1B(O)O	2250846329	KVFIAISRAYGWMU-NXEZZACHSA-N	242.128	-0.303	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1C	2255511542	LATCSASQFFVXHL-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
Cc1ccc(C(=O)N2CCCCN2)c(B(O)O)c1	2255513516	SQCCMFKXOWRCJG-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CC1CCN(C(=O)c2cncc(B(O)O)c2)CC1	2255522203	GPDCZVNTTUSOBP-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1ccc(B(O)O)cn1	2255532565	VAGPDLYLZKCYPA-SNVBAGLBSA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(B(O)O)o1	2255672792	ABHZYJHCQCKLLX-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1C	2255679277	TWGUVABNHIJPHH-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)c(F)c1	2255724163	LUBQTZKGXCRMAE-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1n[nH]cc1B(O)O	2255765312	OEHZCGMKPYBRCJ-CPCISQLKSA-N	249.079	-0.991	50	10	BBGE	
Cc1cc(C(=O)NCc2ccoc2)oc1B(O)O	2255783424	CEIIHTGTBHUSMY-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
OB(O)c1cccnc1NC1CCCNCCC1	2256990966	DDSKGZJKSQRRIC-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
O=C(NCc1cccnc1)c1cocc1B(O)O	2258131942	AQZJHNDFCOHUKJ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2258141196	LWDVJNCOGXHHEB-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1cc(B(O)O)co1	2258150869	HJFIXYCEYFOBBP-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC1(C)C[C@@H](O)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377251	JTPMMVQCOKGDNL-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
NC[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377349	NRIIVWIYYQUVGW-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
O=C(O)CC[C@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2298464059	OSMSQUXXIHXKRQ-BIIVOSGPSA-N	241.052	-0.685	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCn1ccncc1=O	2300384415	QRXXIRPGJIXCTN-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)CC1	2301837921	UFMFUXMVYOURBE-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCO2)c(B(O)O)c1	2302413815	ZZMLQDAJIWDLQI-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303112376	RLYGYDPGIOMFGC-KKZNHRDASA-N	241.096	-0.266	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC2(O)CC(C#N)C2)C1	2303121651	YUTHEUNOYSJSLL-YVNMAJEFSA-N	238.096	-0.410	50	10	BBGE	
CC[C@@](C)(CO)Nc1cc(B(O)O)c(F)cn1	2303847089	CJFBSLWXEAYHHY-JTQLQIEISA-N	242.059	-0.527	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C1CCOCC1	2307936594	PTRURKNZOWTCCJ-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2312856599	CYGVCDZAEUKEFG-HLFIEIIFSA-N	246.075	-0.825	50	10	BBGE	
O=C(N[C@H]1CCn2ccnc2C1)[C@@H]1C[C@H]1B(O)O	2312860302	MCSUWWIGBQLCBI-DJLDLDEBSA-N	249.079	-0.823	50	10	BBGE	
O=C1CC[C@@H](NC(=O)CCCl)C(=O)N1	82257483	RFYBDEBBIPDGHB-RXMQYKEDSA-N	218.640	-0.463	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](CO)C1	82465815	ZBPJTGIGICBNAK-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C(C)C)CC1	82467859	JDTWCVQUILNFSX-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)CCCn1cc([N+](=O)[O-])cn1	82468312	ZDHGILDTMMUJRX-UHFFFAOYSA-N	213.197	-0.439	50	10	BBGE	
CNC[C@H]1CCCN(CCCC(=O)NN)C1	82471267	RBZHWYFKMKYTBD-SNVBAGLBSA-N	228.340	-0.312	50	10	BBGE	
Cc1nnc(S[C@@H](C)CC(=O)NN)n1C	82472790	KYKZRCAHPZHDIZ-YFKPBYRVSA-N	229.309	-0.016	50	10	BBGE	
CCN1CCC[C@H]1CN(C)CCC(=O)NN	86190430	CSMLNYLUJUPUNJ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CN(C)c1nnc(-c2ccccc2B(O)O)o1	202680145	BIBCFZBHZICNRU-UHFFFAOYSA-N	233.036	-0.518	50	10	BBGE	
Cn1cc([S@](=O)Cl)c(=O)n(C)c1=O	223373141	KDDDHBBALWAUGX-ZDUSSCGKSA-N	222.653	-0.655	50	10	BBGE	
CNC(=O)[C@@H]1CCCN(CCCC(=O)NN)C1	232300815	HVDMNMOUDJCXLU-SECBINFHSA-N	242.323	-0.786	50	10	BBGE	
C[C@H](Br)C(=O)NCCOC(N)=O	235433605	WHRKTEPMODVQIH-BYPYZUCNSA-N	239.069	-0.019	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)cc1O	238261425	KIGKDEZFCJUENA-UHFFFAOYSA-N	209.994	-0.751	50	10	BBGE	
Cn1c(Cl)c(N=C=O)c(=O)n(C)c1=O	238533842	VXLUMTGNDRZBGA-UHFFFAOYSA-N	215.596	-0.295	50	10	BBGE	
NCc1cccc2c(B(O)O)cccc12	238685602	BNEQNRZJYDJNKL-UHFFFAOYSA-N	201.034	-0.022	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H](C)C1	251587403	CPYPCEZUDYQKQS-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
CO[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	300046475	VWKZNRWNFHHWPG-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@](C)(OC)C1	300303117	IMCQENOTJJRYSQ-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
CNC(=O)CSC[C@H](C)C(=O)NN	300774345	DMKAEGIQHDKJMD-YFKPBYRVSA-N	205.283	-0.908	50	10	BBGE	
CCNC(=O)CS[C@H](C)CC(=O)NN	300904086	WKBDOAYJGISDES-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
OB(O)c1c(O)cc(F)cc1Br	306195742	JTKZVDPRKZBDCC-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CNC(=O)CNc1nc(N)nc(CCCl)n1	309227795	CNAQXJWVOTVAGZ-UHFFFAOYSA-N	244.686	-0.607	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C(=O)CCCCCl)C1	309249840	ZMCXGCQOLFCLRZ-JTQLQIEISA-N	248.710	-0.156	50	10	BBGE	
Cc1ccn(-c2cc(F)c(B(O)O)cn2)n1	309350841	DIDIGBMWSIFSQM-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
NNC(=O)[C@H](N)c1cccc([N+](=O)[O-])c1	382640432	VTRAZDTUEBZGKF-SSDOTTSWSA-N	210.193	-0.416	50	10	BBGE	
COc1cc(-n2ccc(C)n2)ccc1B(O)O	382642116	PNVVMIQUSLGXCM-UHFFFAOYSA-N	232.048	-0.131	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(O)(C2CC2)C1	384106223	GJICFLRSTHAYBG-VIFPVBQESA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)c1ccn([C@@H]2CCCNC2)n1	390764101	OWKIZHCIVBXETQ-SSDOTTSWSA-N	209.253	-0.589	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(C#N)c1	396116096	WYBIRJYUJSHIQQ-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CCCF)CC1	402754535	BVQOEACRPDOUFA-SNVBAGLBSA-N	246.330	-0.268	50	10	BBGE	
CCOC[C@H](C)NCc1ccc(B(O)O)cc1	585036139	AIXMCWSXOBESSS-JTQLQIEISA-N	237.108	-0.119	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)C1CCOCC1	586364142	HXDMLYKVZLLNOX-INIZCTEOSA-N	248.304	-0.919	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@]12COC[C@@H]1C2	689291582	ZXZWTJIGLFXQIE-JOYOIKCWSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@H](C)O)C(C)C	692172560	HFZQCIDKALNOBP-IUCAKERBSA-N	217.313	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](C2CC2)C1	694829109	MACZOQNEYZELMB-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(CN1CCOC[C@@H]1CCO)C(=O)NN	694917959	BKQRSARZBWNRPB-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccn(CCCN2CCCCC2)n1	695812075	MKMKVOWVVHNOHK-UHFFFAOYSA-N	237.112	-0.561	50	10	BBGE	
O=S(=O)(CCl)NCCN1CCC1	697400280	APFWLBPMUSMGPI-UHFFFAOYSA-N	212.702	-0.192	50	10	BBGE	
CN(C)C1(CN2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	703425905	SGSYIZUWFZVDQK-IUCAKERBSA-N	238.287	-0.003	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1CCCN2C	720443542	GDMBVRFTQDNJDS-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
NC(=O)CCCC(=O)NNC(=O)c1ccoc1	787269186	ANHFVJOOKSFZOU-UHFFFAOYSA-N	239.231	-0.304	50	10	BBGE	
CCN1CCN(CC(=O)NN(C)C2CC2)CC1	819648574	JJVNECDGJJMXFP-UHFFFAOYSA-N	240.351	-0.251	50	10	BBGE	
CCOC(=O)C[C@@H](O)C(=O)NN(C)C1CC1	819652325	LGEOVQDAKNIZGF-MRVPVSSYSA-N	230.264	-0.574	50	10	BBGE	
CC[C@@H](O)CC(=O)NN(C)C(=S)NC	854921230	KDFONMJDNBBPLL-ZCFIWIBFSA-N	219.310	-0.385	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CC(C)(C)O)O1	862891754	CVNICASSFPTNPV-HTQZYQBOSA-N	244.291	-0.138	50	10	BBGE	
CC(=O)NNC(=O)/C=C\c1ccncn1	1290391813	LWWYNEVNXUJINV-IHWYPQMZSA-N	206.205	-0.343	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNc1ncc(F)cn1	1596383847	YIIVGJKZKDDDHU-YFKPBYRVSA-N	241.226	-0.430	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1CCNC(=O)CC1	1597965858	LFEFASUWWMLPBJ-ZETCQYMHSA-N	242.279	-0.795	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@H]1C[C@H]1C(N)=O	1624792968	YQQNSMCHDJIOAH-RITPCOANSA-N	227.264	-0.699	50	10	BBGE	
O=C(NC1([C@@H](O)CO)CC1)OCCl	1882988295	HEANAXYPUHSEFM-YFKPBYRVSA-N	209.629	-0.205	50	10	BBGE	
O=C(CCl)NCc1nnc(CO)s1	1883215787	WLVCADKELDYQCH-UHFFFAOYSA-N	221.669	-0.115	50	10	BBGE	
NC(=O)C1(O)CN(C[C@H]2C[C@H]2Cl)C1	1883550943	HMYZBGIURXMWGU-PHDIDXHHSA-N	204.657	-0.854	50	10	BBGE	
O=C(CNCCO)NC[C@H]1C[C@@H]1Cl	1883562462	BWQJELAEDWZLFR-RQJHMYQMSA-N	206.673	-0.688	50	10	BBGE	
C[C@@H](CO)N(C)[C@H](C)[C@@H](C)C(=O)NN	1888439614	SEKZOANHLVRSMW-XLPZGREQSA-N	203.286	-0.687	50	10	BBGE	
CC(C)(F)COc1nc(B(O)O)cs1	1889025749	QJSNQUIHTLRJGD-UHFFFAOYSA-N	219.046	-0.050	50	10	BBGE	
N[C@@H](CS(=O)(=O)C[C@@H]1C[C@@H]1Cl)C(=O)O	1893120777	YKHXZPVOBYEBHX-ZLUOBGJFSA-N	241.696	-0.560	50	10	BBGE	
CNC(=O)CN(C)C(=O)C=CC(=O)Cl	1893409970	DCYDZGJVHMYHMG-UHFFFAOYSA-N	218.640	-0.488	50	10	BBGE	
C#CCN(CCO)C(=O)C=CC(=O)Cl	1893410063	FCUAUPBLUOJODG-UHFFFAOYSA-N	215.636	-0.238	50	10	BBGE	
C=C(COCC[C@@H](C)N(C)C)B(O)O	1895097620	SJZMPCDJINHWPE-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CC[C@@H]21	1895126792	YQKLTBVZUMEPFW-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@@H](N)C1)S(C)(=O)=O	1901339691	RODOKJKNYHVTPS-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC1(O)CC1	1901670806	WLKCQMLKZCLMTH-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H]1CNCCN1	1902045357	HYJCUHGCHQTNGE-JTQLQIEISA-N	228.340	-0.299	50	10	BBGE	
NNC(=O)C(F)(F)COCC1[C@H]2COC[C@H]12	1902164624	GVNGLVFULNRVQB-WDSKDSINSA-N	236.218	-0.479	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncncc2B(O)O)CCO1	1911419860	GXHXBDBQUTZQDK-SFYZADRCSA-N	238.052	-0.897	50	10	BBGE	
O=C(NNCCO)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	1929837081	UMRGVKIGHMAOAE-JBDRJPRFSA-N	210.277	-0.108	50	10	BBGE	
CCc1nn(COC)c(CC)c1B(O)O	1930223141	KARJIJXIPFEDTO-UHFFFAOYSA-N	212.058	-0.708	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@](C)(O)CO1	1930291899	ROSSYRCVAOXEAA-CBAPKCEASA-N	217.269	-0.857	50	10	BBGE	
C[C@@H](CN1CC[C@@]2(CCO2)C1)C(=O)NN	1932812797	STXWFTAJONKYCT-WCBMZHEXSA-N	213.281	-0.523	50	10	BBGE	
C[C@]1(CO)CCN1S(=O)(=O)CCl	1932960682	KCMVMCXCQUREML-ZCFIWIBFSA-N	213.686	-0.031	50	10	BBGE	
NNC(=O)CN1CCn2ncc(Cl)c2C1	1933344223	YXUSBCIXGOWVAE-UHFFFAOYSA-N	229.671	-0.658	50	10	BBGE	
Cl[C@H]1COC[C@@H]1CNCCn1cnnn1	1933387566	VJAJQTMXENFLCW-YUMQZZPRSA-N	231.687	-0.484	50	10	BBGE	
CC(C)C[C@@H]1CC(=O)N(CC(=O)NN)C1=O	1935900925	OEBNWWWMFATYHN-SSDOTTSWSA-N	227.264	-0.603	50	10	BBGE	
Cc1ccc(=O)n(CC(F)(F)C(=O)NN)n1	1935942582	SIRRFZHXMGBICN-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)C1CSC1	1936306931	SQSSGHDQINDGNX-RKDXNWHRSA-N	245.348	-0.429	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)S1(=O)=O	1937870389	QEIPMYLWPARFGP-CSMHCCOUSA-N	247.320	-0.964	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@]23CCOC3)CC(=O)O1	1939705702	OKTICHAMNVKLSU-LDYMZIIASA-N	225.244	-0.202	50	10	BBGE	
C[C@H](CO)N(C)Cc1cncc(C(=O)NN)c1	1940581311	JRNCWXNFDUXXIX-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
CCC[C@H](OC[C@@H]1COCCCO1)C(=O)NN	1948416324	IYOICLHMSMSIDD-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)CC(=O)N1	1954821161	SYFZHZAXLNBZHV-RQJHMYQMSA-N	206.673	-0.594	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NNC(N)=S)O1	1955612636	BDRZENGLNZZYKK-WDSKDSINSA-N	217.294	-0.192	50	10	BBGE	
O=C(CCl)NC[C@H]1Cc2nncn2C1	1956504089	OCOBEJYIZSSXRL-ZCFIWIBFSA-N	214.656	-0.195	50	10	BBGE	
C[C@H](O)[C@H]1CN(C[C@H](O)CCl)CCO1	1957189179	VLGZYSLVIUBIHH-DJLDLDEBSA-N	223.700	-0.332	50	10	BBGE	
C[S@](=O)CCCCN1CC(=O)OC(=O)C1	1957682204	JBFSZQFKKZVEMN-HNNXBMFYSA-N	233.289	-0.470	50	10	BBGE	
NNC(=O)CN1CC[C@](F)(C(F)(F)F)C1	1958316670	RFUTYHXOZXEEBF-ZCFIWIBFSA-N	229.177	-0.047	50	10	BBGE	
CC[C@H](O)CN(CC)[C@H](C)CC(=O)NN	1959510552	DYLUBLPUSPGJPC-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
Cc1cnn(C2CN(CC(=O)NN)C2)c1	1961278739	XGGRIHMIIWSPKW-UHFFFAOYSA-N	209.253	-0.962	50	10	BBGE	
O=C1NC(=O)[C@]2(CCCN(CCCl)C2)N1	1961311378	SEKDYUIOPLPFIS-SECBINFHSA-N	231.683	-0.101	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H]2C[C@H]21	1961508411	JZNUWFBMPBHIGG-BDAKNGLRSA-N	213.281	-0.380	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961922300	SLHDSYSKXRAEMB-WLRJLXCNSA-N	230.695	-0.067	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1cccc(B(O)O)c1	1969323212	MDYFDCYMFSUUIK-MRVPVSSYSA-N	241.002	-0.496	50	10	BBGE	
CCCC1CN(c2ncccc2B(O)O)C1	1981422011	ILFLTIIDHATPOP-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
COC[C@@H](C)Oc1nccc(C)c1B(O)O	1981425484	HETSDGZYRYFUMX-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CO[C@@H](C3)C2)n1	1981468975	KOINRCHZRFCSFF-BQBZGAKWSA-N	240.093	-0.952	50	10	BBGE	
CCC1CN(c2ccc(B(O)O)c(C)n2)C1	1981469078	MGQMSTMUSTXUJM-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]3C2)c(B(O)O)c1	1981471280	HQWNLMZMPDUJPZ-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
NC(=O)NNC(=O)c1ccn2nncc2c1	1986986210	CIMKLHNVHLKJKN-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)n1	1989163915	IWSHZYFWRULOOW-KHWQERMQSA-N	218.065	-0.535	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cccc(F)c1N	1989371232	LPRCRIOEPWHCEC-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
NNC(=O)N1CC[C@@]2(O)CCCC[C@]2(O)C1	1989820951	HXQXEDLJULFOAU-UWVGGRQHSA-N	229.280	-0.688	50	10	BBGE	
Cn1cc(C2CN(CCC(=O)NN)C2)cn1	1990726018	TWGIYTLOPRKOLH-UHFFFAOYSA-N	223.280	-0.801	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2NC(=O)O[C@H]2C1	1991653230	XAEMHEKGUXDTKE-WDSKDSINSA-N	244.634	-0.373	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCN1CCOCC1	1991663656	WTGSXNVFYSHTJX-UHFFFAOYSA-N	246.694	-0.244	50	10	BBGE	
CO[C@@H]1CN(C)C[C@@H]1NC(=O)/C=C/C(=O)Cl	1991712139	CVFMGLZGBOBSEA-XMYQNILUSA-N	246.694	-0.247	50	10	BBGE	
C=C(CN1CCC(N(C)CC)CC1)B(O)O	1992153606	QGHHPPUSAVDFOK-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C=C(CN1CCC[C@H]1CS(C)(=O)=O)B(O)O	1992168235	XHCNFWURWDNBTN-VIFPVBQESA-N	247.125	-0.936	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCCO1	2004393670	MUSXVSOCAGTHJC-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]([C@@H]2CCOC2)C1	2004397369	WGNVIDSXYFBHPM-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
Cn1ccnc1[C@H]1CCCN1CCC(=O)NN	2004408617	YNZQSJVDTSNBDW-SECBINFHSA-N	237.307	-0.063	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@@H]3C[C@H]32)c1	2004486378	KQKJSZYTVVFFEN-NXEZZACHSA-N	237.259	-0.144	50	10	BBGE	
COC(C)(C)CN(C)c1ncncc1B(O)O	2004921116	ROODWBIDHMGBBQ-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1nc(C)n(-c2ncc(B(O)O)cc2C)n1	2004990451	HOVDKJWLPZKQNZ-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC(C)CC2)n1	2005014790	QRTQNHPQZUTTOM-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC[C@@H](C(F)F)N(C)c1ncncc1B(O)O	2009012896	RIRCEZIFSLVNDY-ZETCQYMHSA-N	245.038	-0.364	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2[C@@H](C)[C@H]2C)n1	2011595588	DWLPSZIRVJCXBT-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
CCCn1cccc1C(=O)NCC#CB(O)O	2021157329	KTTFXZNSWRZITC-UHFFFAOYSA-N	234.064	-0.357	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccccc1B(O)O	2022196350	LAPTVBCXNVUOPW-XCBNKYQSSA-N	237.039	-0.546	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@]3(CCO3)C2)cc1	2035804335	DSFXUKAPWNZPFF-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]2(N)CC[C@@H]3C[C@H]32)CC1	2046942110	WRARMEQSDBDWJV-BREBYQMCSA-N	249.314	-0.009	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2C[C@]2(C)C1	2050241645	BAYGNEGUBWIIEP-QPUJVOFHSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3OCC[C@H]3C2)nc1	2052470167	AIZXHMAOAOWPAU-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@H]3CC[C@H]2C3)nc1	2052492267	OYUNUAWUDXFZCY-GUBZILKMSA-N	248.091	-0.029	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)c1ncccc1B(O)O	2052499651	WWVBQIOFXSEFAT-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
CCOc1c(OC)ccc(B(O)O)c1C#N	2060202991	SFNOCWTVMHTTBC-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)cc(B(O)O)c1	2068627372	GNXCWCJWRKOCAE-ITGUQSILSA-N	248.087	-0.054	50	10	BBGE	
C[C@H](CN(C)C[C@@]1(F)CCOC1)C(=O)NN	2212153851	SJKOFOJBZYJSDT-SCZZXKLOSA-N	233.287	-0.327	50	10	BBGE	
CN(CC(C)(C)O)CC1(C(=O)NN)CCC1	2212249116	KTRQPNKIEHTBDR-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@@H]32)nc1	2212603504	OYFUKKRIPRQOJJ-CNUIFLNQSA-N	219.053	-0.633	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1ccc(B(O)O)cn1	2212607290	JCYNOSBGPPYQNU-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
OCCCCCOc1cc(B(O)O)ccn1	2212609714	WEGPGQXZCTYUAL-UHFFFAOYSA-N	225.053	-0.697	50	10	BBGE	
C[C@@H](O)C1CN(Cc2cccc(B(O)O)c2)C1	2214604300	ZSAXYQZGGJJUCB-SECBINFHSA-N	235.092	-0.821	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215773004	RILQSPRQBSLFTH-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215774790	FGYKZAUBQMFSBP-UWVGGRQHSA-N	241.335	-0.295	50	10	BBGE	
NC1CCC(Oc2ccc(B(O)O)cn2)CC1	2217165680	AYHPQVRERFTTES-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
OCC1CC(CNc2ncccc2B(O)O)C1	2217178424	VXWHGXAYSNVHLT-UHFFFAOYSA-N	236.080	-0.808	50	10	BBGE	
Cc1cnc(OCCC(C)(C)N)cc1B(O)O	2217183626	JWCWZQUNKBAGAM-UHFFFAOYSA-N	238.096	-0.424	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1nccc(B(O)O)c1F	2217184915	SEHDUDBFWUUMRR-NKWVEPMBSA-N	242.059	-0.671	50	10	BBGE	
CCCN(CCC#N)c1ncc(B(O)O)cn1	2217198545	CJYRDOVDIAWRMR-UHFFFAOYSA-N	234.068	-0.714	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCOC[C@H]1F	2217199469	MNVWGFHDKHQSEA-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@H](C)[C@@H]1N	2223637425	FQNBOJOMVXEKTC-KBVBSXBZSA-N	249.123	-0.677	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCN[C@@H]2C2CC2)c1	2223663272	OJHOJAGQVIFMLK-CMPLNLGQSA-N	248.091	-0.719	50	10	BBGE	
CC(C)[C@@H]1CNCCN1c1ccc(B(O)O)cn1	2223672717	BWOLHWRNNYGJCJ-NSHDSACASA-N	249.123	-0.804	50	10	BBGE	
C[C@@]12CC[C@@](Nc3cc(B(O)O)ccn3)(CO1)C2	2223675671	SFYRBRSFJUVUOO-RYUDHWBXSA-N	248.091	-0.115	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)C1(CO)CNC1	2241658941	IORLLOOOHSHOBU-LJGSYFOKSA-N	218.684	-0.546	50	10	BBGE	
CC[C@@]1(CNC(=O)C#CB(O)O)CCCO1	2243356535	JCHKJVPHYGJIIQ-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccc(B(O)O)s1	2243356743	MIXPLNHNPUWSQU-YFKPBYRVSA-N	247.031	-0.435	50	10	BBGE	
CC(C)CN(C)C(=O)c1ccc(B(O)O)o1	2243361858	IIAJZCRAVOZEBH-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
CCCCCNC(=O)c1n[nH]cc1B(O)O	2243372248	FGGLAXOXHBFUOO-UHFFFAOYSA-N	225.057	-0.991	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)c(B(O)O)s1	2243375181	PRYXKVKAZFGKEM-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1COC1	2243391477	LBRHHUCNWFWMRD-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243400638	FLYVELYMDQZWSG-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
C#C[C@@H]1CCCCN(C(=O)C#CB(O)O)C1	2243404508	PKXQZQDGECAQCW-SNVBAGLBSA-N	219.049	-0.736	50	10	BBGE	
C=CCC1(NS(=O)(=O)CC(=C)B(O)O)CC1	2243412423	MOXSYBOYBYLTAV-UHFFFAOYSA-N	245.109	-0.417	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243426585	IYMQWDQTOQADME-CIUDSAMLSA-N	225.053	-0.689	50	10	BBGE	
CC1CC(NC(=O)c2cocc2B(O)O)C1	2244205233	HMDYPCJTGDDXHQ-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)co1	2244210818	GTBHLMSQFZWCII-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
CN(C)C(=O)N1CCC(NC(=O)NN)CC1	2245067649	SRUGCDDJLYAHGU-UHFFFAOYSA-N	229.284	-0.695	50	10	BBGE	
C[C@H](N)[C@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245913230	OFWVMPUSHKCUJQ-WDSKDSINSA-N	244.487	-0.471	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccoc1B(O)O	2247738939	WTBRIMHUIUDDGV-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CCN(C)C(=O)c1c(F)cc(B(O)O)cc1F	2247752628	SOKJVVBTLQIGQE-UHFFFAOYSA-N	243.018	-0.264	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)N1C	2247755071	GKOGFAIYFVDMTB-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1C(=O)C1(B(O)O)CC1	2247756510	NKRWPAXXINPDHC-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1occc1B(O)O	2247759277	ZPINKTXPSNLWKI-BQBZGAKWSA-N	235.048	-0.655	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2247775193	IKJYCSJLAHINTJ-XCBNKYQSSA-N	234.064	-0.758	50	10	BBGE	
CCC(C)(C)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247783648	ITUPRNOSYMEOED-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
C#CCC[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787717	SRWWBPPGRZYEQN-KXUCPTDWSA-N	239.080	-0.870	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(C)CCOCC1	2247790450	HNSSXDMDANFGGV-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCC[C@@H]1CCCN1)[C@@H]1C[C@H]1B(O)O	2247791844	PECAAJMEBKTFRB-IVZWLZJFSA-N	240.112	-0.502	50	10	BBGE	
C=CCNC(=O)c1cc(C)cc(B(O)O)c1F	2247795974	QWCPUKPEBGUEIL-UHFFFAOYSA-N	237.039	-0.270	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)C1CC(B(O)O)C1	2247798851	XRXUAOMYCIYKMF-WOOKNIGNSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247809378	YXNKVIXAIQDDRV-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
CC(C)[C@]12CC[C@H](NC(=O)C#CB(O)O)[C@H]1C2	2247846914	OKIHYOUKMFKPLR-JFGNBEQYSA-N	235.092	-0.057	50	10	BBGE	
C[C@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@@H]1F	2247869950	BGUXYPUYXMDHPM-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
CC(C)(N)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247871557	DBYVZPQEWKTPBT-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)cc1OC	2247872159	NTJCVOZCOMFABY-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
Cc1cc(C(=O)NC2(C)CC2)ccc1B(O)O	2247873453	BPDCFMRYZPKEPV-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@@]12CCC[C@H]1C(=O)N2C(=O)C1(B(O)O)CC1	2247874106	JBUIPHVXTBHMIS-OIBJUYFYSA-N	237.064	-0.079	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1occc1B(O)O	2247877324	GJVJNFSOWYCWBV-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C(=O)C1(B(O)O)CCC1	2247878414	OEWXMNYCKVOZTP-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893231	OHYQUNJHTGNFSG-XHHQTKHESA-N	241.096	-0.531	50	10	BBGE	
O=C(NCCCC1CNC1)[C@H]1C[C@@H](B(O)O)C1	2247902092	CKLAEEFIZOLAGM-AOOOYVTPSA-N	240.112	-0.645	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H](O)[C@H]1C2	2247906658	ZLDQMYNVKGRMBA-SPFKKGSWSA-N	239.080	-0.779	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247911347	VPIIOVLQUVSOQL-RTBKNWGFSA-N	240.112	-0.598	50	10	BBGE	
CC(C)ONC(=O)c1cc(B(O)O)ccc1O	2248032054	JWDNXAGEGCCJKE-UHFFFAOYSA-N	239.036	-0.858	50	10	BBGE	
COC[C@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2249383196	MHWKRZYROAXUOM-PSASIEDQSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2cocc2B(O)O)C1(F)F	2249430026	YAIZWYRDEPLNQI-MHTLYPKNSA-N	244.990	-0.657	50	10	BBGE	
NNC(=O)C1(CN2CCn3cncc3C2)CC1	2249740067	XVDJZYSKZUTPHK-UHFFFAOYSA-N	235.291	-0.531	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C(F)(F)C12CC2	2249998208	FRJSBMNWCJKZBL-ZETCQYMHSA-N	243.018	-0.447	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ncccc1B(O)O	2255516367	LAXNODNAXHSJNQ-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)[C@@H]1CC1(C)C	2255516382	LEUBOTNATHVXFV-SNVBAGLBSA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccncc1B(O)O	2255732866	BVSXVDSZBSGQCT-BCMRRPTOSA-N	246.075	-0.710	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2cccn2)C1)[C@H]1C[C@H]1B(O)O	2255768546	IEEVWEXXRFUGMO-AATLWQCWSA-N	249.079	-0.434	50	10	BBGE	
Cc1cc2n(n1)CCN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2255769578	LKSCPRQZZHDBNV-VHSXEESVSA-N	249.079	-0.603	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)ccc1O	2256014598	PBOQNTGSESFEMB-SECBINFHSA-N	247.059	-0.786	50	10	BBGE	
C=C(C)CCNC(=O)c1ncc(B(O)O)cc1C	2257487962	STTKHADEJFVWJD-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCC2(CC2)C1	2258121691	RYGDXORYZABMSQ-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)co3)[C@H]1C2	2258130139	BTFZEWYYTDCSGX-VDDIYKPWSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CC2)c1cc(B(O)O)n[nH]1	2260549705	DNWHKCIHXIAXOS-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
COc1ccc(CNC(=O)C2CC2)cc1B(O)O	2264096594	UHIPSYGTBQVHMD-UHFFFAOYSA-N	249.075	-0.599	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@]2(C(=O)O)CO[C@H]1C2	2298336540	XEUKFRRBRRRJCC-MATHAZKKSA-N	243.263	-0.606	50	10	BBGE	
CCN[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369420	UKAMVQCJIZMWHH-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CCO1	2298370799	MXLSTJOYIDBHBB-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCC[C@H]1CCCCO1)[C@@H]1C[C@H]1B(O)O	2298371792	WBSWTXPTTZERMU-OPRDCNLKSA-N	241.096	-0.075	50	10	BBGE	
CNCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375655	ULDCBIHIVBPTIF-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2NCC[C@@H]2C1	2298376193	MTCXIMDYIDFDFL-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@@H](COC)C(=O)NN	2299332789	VBTHPYNDSHCOFJ-GUBZILKMSA-N	243.307	-0.997	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1C(=O)C1(B(O)O)CC1	2304251820	KFZUIXWMXZNRMV-RKDXNWHRSA-N	241.096	-0.389	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]2CC[C@H]1C2	2312949814	UFLRYQHNTZVWES-OUAUKWLOSA-N	247.103	-0.036	50	10	BBGE	
C=C(C)CC(=O)NCCc1cccc(B(O)O)c1	2319331841	NHLIWLLPABRIAD-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
N#CC[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2320797179	UWRVNLHNUXANOW-MRVPVSSYSA-N	249.054	-0.360	50	10	BBGE	
N#C/C(=N\Nc1ccccc1C(=O)O)C(=O)NN	33305609	FXTXPVZJHGXILF-OVCLIPMQSA-N	247.214	-0.334	50	10	BBGE	
CNC(=O)COc1cccc(C(=O)NN)c1	66056677	RTPMGRIXIPNQKX-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
Cn1nc(C(F)(F)F)cc(C(=O)NN)c1=O	77066907	WLSZYVLYBOVWGP-UHFFFAOYSA-N	236.153	-0.597	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nnnn1C1CC1	82471959	SHYKVSYGAMSBBI-RXMQYKEDSA-N	242.308	-0.131	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSCCCO)O1	85164572	MIOKWIXZFYCFIL-YUMQZZPRSA-N	234.321	-0.361	50	10	BBGE	
CC(C)OCCC(=O)NNC(=O)c1c[nH]nn1	104646871	QLTWFIWDFMHCAV-UHFFFAOYSA-N	241.251	-0.619	50	10	BBGE	
N[C@H](CSSCC(=O)O)C(=O)O	111485154	UNYCMVYZPHQQBE-GSVOUGTGSA-N	211.264	-0.136	50	10	BBGE	
N#C[C@H](Cl)Cn1cc(F)c(=O)[nH]c1=O	132591531	MDKZVINZKPBOOU-BYPYZUCNSA-N	217.587	-0.193	50	10	BBGE	
NC(=O)[C@H]1CSCN1C(=O)CCl	146659380	MYIZVBUUNYRQLA-SCSAIBSYSA-N	208.670	-0.388	50	10	BBGE	
O=c1ccc(=O)n(C[C@@H](O)CBr)[nH]1	157819184	WTUFFDLSBNMMNB-YFKPBYRVSA-N	249.064	-0.708	50	10	BBGE	
Cc1ccn(Cc2cccc(B(O)O)c2)n1	203618077	IQBCPDZUVZZQTF-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2)C[C@@H](C)N1C	214947488	VKGIRAGLKCNAPZ-GHMZBOCLSA-N	248.135	-0.105	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](N)C1	222181510	OOEFTGXVIFUSTF-XHNCKOQMSA-N	214.313	-0.576	50	10	BBGE	
CN(CCCCCO)CCCC(=O)NN	227147616	KGUVDWULXVJVOD-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2[nH]c(=O)oc2c1	259061711	WSNRYDIONINWAW-LURJTMIESA-N	236.231	-0.499	50	10	BBGE	
CO[C@H]1CCCN([C@H](C)CC(=O)NN)C1	299912500	OHOCCFMVAIRNMD-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Nc1cc(O)c2sc(B(O)O)cc2c1	306943303	VLVNTKBJDDKLSP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
N=C(N)NNC(=O)C(F)(F)C(F)(F)F	307505972	XSULZULDIIIENB-UHFFFAOYSA-N	220.101	-0.302	50	10	BBGE	
O=C1NC[C@@H]2CCN[C@@H]2[C@@H]1Br	307757166	KCXRICAXNQJCTA-ZLUOBGJFSA-N	219.082	-0.142	50	10	BBGE	
CSCC(=O)NNC(=O)CNC(C)(C)C	380170164	DHMPVOKEMKKXDB-UHFFFAOYSA-N	233.337	-0.115	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CCCCNC1=O	391580193	WYZRNHRUALMFBF-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@](C)(O)C1	395812252	LRLUMOGRTCGRGC-GZMMTYOYSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)c1cc(CC(C)=O)cc(B(O)O)c1	396139270	ROCRDBPUVLHVAA-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CC(C)(C)[C@H](SCCC(N)=O)C(=O)NN	399213273	RYAWRWSPCDWFRT-SSDOTTSWSA-N	233.337	0.000	50	10	BBGE	
Cn1nccc1C(=O)Nc1ccccc1B(O)O	404946938	OUYSTTNPNQHTFA-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC(C)(C)NC(=O)Nc1ncc(B(O)O)s1	405090912	SXICCEQNJXDYIP-UHFFFAOYSA-N	243.097	-0.257	50	10	BBGE	
COC(=O)Nc1ccc(F)c(B(O)O)c1	405145286	MCOKWYTWHGYCCK-UHFFFAOYSA-N	212.973	-0.316	50	10	BBGE	
OC[C@H](NCc1ccccc1B(O)O)C1CCC1	585045927	OKUQTQRGFVWJGY-ZDUSSCGKSA-N	249.119	-0.383	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C(C)(C)C	689990666	YZDZJQDPBSBESP-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1cc(C)ccc1B(O)O	690071392	CJPZBMMRGNALIA-KCJUWKMLSA-N	249.075	-0.352	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1cnccn1	693559336	SFCJLPKDRKHOEB-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
OB(O)c1cnn(CCc2ccccc2)c1	694487938	OXITUHXCZWVBQS-UHFFFAOYSA-N	216.049	-0.194	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@]1(C)CO	694659487	AKAIXTHWOUWRJX-KOLCDFICSA-N	229.324	-0.293	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700560797	LWCUJHWNUXNADS-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CC(C)(CNS(C)(=O)=O)NC(=O)CCl	708233025	YHXLOYNQFGURDA-UHFFFAOYSA-N	242.728	-0.331	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3C[C@H]3C2=O)on1	715703124	PBCGMDWYOJUQRD-IYSWYEEDSA-N	236.231	-0.744	50	10	BBGE	
C[C@@H]1[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1C	719596002	CSVBJACMOLCXLR-KATARQTJSA-N	238.287	-0.005	50	10	BBGE	
O=C(NNC1=NCC(O)=C1)C(=O)N1CCCC1	747630429	OJPMDIJHJSFLKU-UHFFFAOYSA-N	238.247	-0.916	50	10	BBGE	
C[C@@H]1COC(=O)C1=NNC(=O)[C@H]1CCCO1	814241567	SLDBCYRWFYNVGV-RNFRBKRXSA-N	226.232	-0.170	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)Cc1nc[nH]n1	865136434	QYBFSAFCPBFTTG-UHFFFAOYSA-N	239.279	-0.069	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cnccn1	1118517725	HBFGXNAWFHXQEU-UHFFFAOYSA-N	245.246	-0.241	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](O)c1ccccn1	1120589362	CIFFZNQNHLRMJL-SECBINFHSA-N	237.259	-0.082	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1cccnn1	1133167998	KIOIYWSTASKVLA-UHFFFAOYSA-N	216.147	-0.497	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N[C@H](C#N)CO)cn1	1157964071	SOLXGVNWENGVKD-AEQWBEDWSA-N	245.242	-0.672	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1ccnnc1	1451679536	DBRDRPLFIMWODF-UHFFFAOYSA-N	238.247	-0.337	50	10	BBGE	
CN(NC(=O)c1cccn2nccc12)C(N)=O	1545888050	XMFHXRKBTILFDK-UHFFFAOYSA-N	233.231	-0.010	50	10	BBGE	
CC(C)OCCC(=O)NNC(=O)c1ncon1	1585613875	SCURVSFNUZSPKY-UHFFFAOYSA-N	242.235	-0.354	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](C)CC(N)=O	1618665478	FZSMHVBFNPAYNS-ZCFIWIBFSA-N	215.253	-0.699	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc2ncccn2n1	1625913069	WGTDHQBLHIEPML-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@@H]2C[C@@H]2Br)C1	1877333470	BCFPLOOXEXVVFQ-RQJHMYQMSA-N	244.088	-0.024	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)c1nc[nH]n1	1882166665	VMWKPGXVIXEGFV-BYPYZUCNSA-N	224.673	-0.290	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@H]1C[C@@H]1Br	1883531942	ZTEWJRMRDOGPAQ-WDSKDSINSA-N	246.060	-0.026	50	10	BBGE	
CON(C(=O)[C@H]1C[C@@H]1Cl)C1CNC1	1883645144	MCFUDECQLSYWHU-BQBZGAKWSA-N	204.657	-0.025	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1CNC1	1883646920	GDXPWSVYOOQLCG-OWOJBTEDSA-N	202.641	-0.356	50	10	BBGE	
C=C(CN1CC[C@@H](SC)C1)B(O)O	1883744796	RAIFXCZEBRJMCT-MRVPVSSYSA-N	201.100	-0.008	50	10	BBGE	
CO[C@@H]1CN[C@H](C(=O)CCl)[C@H]1OC	1884169805	HIVYCODLZICZRA-PRJMDXOYSA-N	207.657	-0.204	50	10	BBGE	
NC(=S)NNC(=O)[C@]12CCOC[C@H]1C2	1891625766	GANYITPOHVKWLM-XRGYYRRGSA-N	215.278	-0.723	50	10	BBGE	
O=C(CC1(O)CNC1)NC[C@@H]1C[C@@H]1Cl	1893127165	GGWXSKRURPTJJQ-BQBZGAKWSA-N	218.684	-0.546	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@H]2Cl)CC(=O)N1	1893469961	OASYSZFEYDVMCE-CRCLSJGQSA-N	216.624	-0.901	50	10	BBGE	
NNC(=O)CCO[C@@H]1CCOC[C@@H]1F	1893527893	PHZINUDYHFPSRI-NKWVEPMBSA-N	206.217	-0.490	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNCCO)[C@@H]1C(=O)O	1895055835	AHLVWVWIOFTRIG-NKWVEPMBSA-N	230.264	-0.654	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ncncc1B(O)O	1895126877	ZULVDGLGSLTNMH-SFYZADRCSA-N	221.069	-0.751	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1F	1898838305	DNCKDYNKBITZLE-LXGUWJNJSA-N	231.032	-0.955	50	10	BBGE	
O=C(NCC=C(F)F)c1cnsc1B(O)O	1900449910	GAXMBBBEEDTRDT-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@](C)(O)C1	1901104460	FUYQNNOTJAIVRF-ZXFLCMHBSA-N	221.684	-0.042	50	10	BBGE	
C#CCONc1ccc(C=O)c(B(O)O)c1	1901254578	AVLDNBFEEIOMDQ-UHFFFAOYSA-N	219.005	-0.844	50	10	BBGE	
CC(C)=C(CN1CC[S@@](=O)C[C@@H]1C)B(O)O	1901614465	ZLORXAARAGBOHM-XXFAHNHDSA-N	245.153	-0.212	50	10	BBGE	
CC(C)=C(CN1CCS(=O)(=O)CC1)B(O)O	1901615170	AQKGKXNLOUGZPW-UHFFFAOYSA-N	247.125	-0.935	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C[C@@H]1CCO1	1901983780	OCTDGKAMILRZFX-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
C=C(CN1C[C@H]2C[C@H]1C[C@@H]2N(C)C)B(O)O	1901993470	VCFDYIAHBSMZPU-VWYCJHECSA-N	224.113	-0.421	50	10	BBGE	
CO[C@@H](C)CC(=O)N1CC[C@](C)(B(O)O)C1	1902512731	OMOIKMONLZRZSX-WPRPVWTQSA-N	229.085	-0.123	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](C1)NC2)C1(B(O)O)CC1	1902918904	OMADPIQIDOJFML-CBAPKCEASA-N	224.069	-0.996	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CCC[C@H]2C1=O	1905542499	XJLGURLUDVQKMX-PRJMDXOYSA-N	239.275	-0.460	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1907736839	KAANINLJFWHCEY-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1cc(B(O)O)ccc1=O	1907910025	JSJLYGDFYBKRHL-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
C[C@H](CN1CC(C)(C)OC1=O)C(=O)NN	1912262462	XPERPOUFPYGQJE-ZCFIWIBFSA-N	215.253	-0.157	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@H]1C	1914334416	HACSOGXYMKFCJF-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](CN(C)C1(CO)CCC1)C(=O)NN	1915004587	IXFXMDPLLNRAGZ-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(F)(F)C1	1917281911	PZNKFBZZXSIYIH-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1CNC(=O)CCl	1924622335	LRXDXGNJAAPJRH-HTQZYQBOSA-N	220.700	-0.082	50	10	BBGE	
N#C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927919468	JBCWPDCZXYNGNE-HRDYMLBCSA-N	208.265	-0.542	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC(=O)OCCl)C1	1928758330	PLMSRRQECYYYBF-PHDIDXHHSA-N	208.645	-0.416	50	10	BBGE	
Cc1nc(C[C@H](Cl)C(N)=O)nn1C	1929102893	ZDNZACYLGWVBSK-YFKPBYRVSA-N	202.645	-0.241	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2OCC[C@H]2C1	1931682729	LWXVHBQRQBQUMO-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
O=S(=O)(CCl)NCC[C@H]1COCCO1	1931781975	STRDRCMMKJAXBP-ZETCQYMHSA-N	243.712	-0.092	50	10	BBGE	
C[C@@]1(CO)CCN(CC(F)(F)C(=O)NN)C1	1935940880	FYBLELKXUPEWPT-MRVPVSSYSA-N	237.250	-0.684	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)cn1	1936084900	UVWITMWBRUPABS-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
N#CC1(O)CCN(C(=O)O[C@@H]2CCNC2)CC1	1941511745	ZRNBXIOWPLRAAQ-SECBINFHSA-N	239.275	-0.165	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H](CO)C1CC1	1942317358	FVOTWSBWHUSQGJ-OPRDCNLKSA-N	239.271	-0.079	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@@H]1CN	1945007870	RGYSSBRLNWVKGU-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)CC[C@H]1C(=O)O	1947210965	OQXZVHARSRIZSY-HTQZYQBOSA-N	245.279	-0.406	50	10	BBGE	
O=C(N[C@H]1CCOC1)N1CC[C@H](B(O)O)C1	1951322114	UIXGRGFZZKIISE-YUMQZZPRSA-N	228.057	-0.966	50	10	BBGE	
CCCOC1(C(=O)NNCCO)CC1	1954976530	MXKNVZQLXKXDIJ-UHFFFAOYSA-N	202.254	-0.441	50	10	BBGE	
CN(C)NC(=O)CN1CCC[C@@H](N)C1	1956726502	OYFSWHPPRYRQSO-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
COc1ccnc(C(=O)NNCCO)c1	1960564677	HGPFAZMERANZEF-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
CN(CCn1cncn1)C[C@H](Cl)C(=O)O	1961253687	XOMLCOXSFFOLAZ-ZETCQYMHSA-N	232.671	-0.098	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@](=O)[C@H](C)C1	1961555082	ZCMJEXUICZFFSJ-PISXGGPESA-N	233.337	-0.792	50	10	BBGE	
Cc1ccnc(-n2cccn2)c1B(O)O	1961724552	TWRGYLAFOGTXJJ-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)C[C@@H](F)C1	1965801947	URRZMBAAWSBPEF-PHDIDXHHSA-N	231.676	-0.083	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1[C@@H](C)C(=O)NN	1980857236	ZFIDQIJJGVHWMK-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)[C@H]1C	1981413168	CDFLMGDVOYBGQC-YUMQZZPRSA-N	221.069	-0.609	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1C[C@@H]1CO	1982109715	PGNWNXVBSAILKY-FNCVBFRFSA-N	225.244	-0.469	50	10	BBGE	
CC(C)(C)CCn1cc(B(O)O)ccc1=O	1984102586	VRCBREYBIGISME-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)NC(=O)CCCl	1985208506	PHDLUMNUDLGWTD-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CC2(COC2)C1	1985555205	GGBLFTDJZMJYFG-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
COC[C@H](OCC[C@@H](C)COC)C(=O)NN	1987522290	LETVHXJMEKLZPR-BDAKNGLRSA-N	234.296	-0.320	50	10	BBGE	
C[C@@H]1OC2(CN3CC(=O)OC(=O)C3)CC1C2	1989831924	CNXQBEMCFFUXGH-JYPKXMCJSA-N	225.244	-0.061	50	10	BBGE	
C[C@H](CC(=O)NN)N(CC(F)F)C1COC1	1991227207	FSZSGQGVRHYJLQ-ZCFIWIBFSA-N	237.250	-0.279	50	10	BBGE	
O=C(CC[C@@H]1CCOC1)NCC=CB(O)O	1991336819	KVAJZRNYFCPREF-SECBINFHSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@](C)(CO)CC1(C)C	1992771836	WKWBPQXGOCVHMV-LDYMZIIASA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCN2CCC[C@@H]2C1=O	2004273215	IFBCLNAKQYBVPQ-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
CN(CC1CC(F)C1)c1ncc(B(O)O)cn1	2004916757	PLDIINZVFAJZTL-UHFFFAOYSA-N	239.059	-0.659	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H](CCO)C1	2005060725	MUXOQPUKMCIEBO-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CCC12CCC2)C(=O)NN	2006120933	YOHKKDHDZNNVGR-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)C[C@@H]1C[C@@H]1C(=O)NN	2006199998	ZBGPVWKTLNHWFE-UUTMEEIUSA-N	239.319	-0.563	50	10	BBGE	
CC(C)CCn1cnc2c(B(O)O)ncnc21	2007071073	YOCMCUDJUCCIJA-UHFFFAOYSA-N	234.068	-0.448	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]2C[C@@H]2C1	2008840430	MGHDRXWUSCOMLX-ILWJIGKKSA-N	233.076	-0.426	50	10	BBGE	
C[C@]1(O)CON(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010832722	KUQUOAOLBDCVLQ-ATZCPNFKSA-N	243.307	-0.609	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](C2(O)CC2)C1	2013930083	IADPQDNLGRKNNB-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CCc1cnn(-c2ncc(F)cc2B(O)O)c1	2014932242	LKCRTCGNUXHHTF-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@H]2CC[C@H]21	2015990593	PFOAEDQAIUVAAJ-AXFHLTTASA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	2016210431	YTSGYQWMWKQJLF-LRPJSKTQSA-N	245.298	-0.309	50	10	BBGE	
C=CC1(O)CCN(CC(=O)NNC(C)=O)CC1	2018884166	SNMULLLVMYFMTM-UHFFFAOYSA-N	241.291	-0.833	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(CCN(C)C)C1	2019207192	CRRFMUPCKSIQGA-UHFFFAOYSA-N	242.323	-0.963	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OC(C)(C)C1	2019214435	ZFTHDORJXJHLQK-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCC#CB(O)O	2021157213	JAVMBZKAQQNOIM-GWOFURMSSA-N	235.092	-0.200	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]1C1CCCC1	2022429170	RFWUKPDJPIBIMY-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CC[C@H]2CNC3)CC1	2033993380	WZLAPOBNVQGUPG-GXFFZTMASA-N	249.314	-0.137	50	10	BBGE	
CC(C)(C(=O)Nc1ncc(B(O)O)cn1)C1CC1	2040764010	XREJVBVWGFURSU-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3C[C@H](N)C[C@H]32)CC1	2050075021	QFMZYJNFJYIMGA-FDNPJPRYSA-N	249.314	-0.153	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3CCO[C@H]3C2)cc1	2052032164	CSOXHTKCLYIBCZ-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@H]2CC[C@H]1C2	2052474413	ZZRAKMCYJGLGJU-ATZCPNFKSA-N	247.107	-0.219	50	10	BBGE	
Cc1nc(N2CC(C3CCC3)C2)ncc1B(O)O	2052551950	LUMHZDGPYKMXKK-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@H]2CCC[C@@H]21	2068484527	RUPJVPRCRJFFQQ-DVVUODLYSA-N	247.107	-0.219	50	10	BBGE	
COc1c(C=O)cc(B(O)O)c(F)c1F	2080107574	POWIONSEEGICJT-UHFFFAOYSA-N	215.948	-0.534	50	10	BBGE	
O=C([C@@H](F)C(F)(F)F)N1CC[C@H](B(O)O)C1	2208731312	DLGLQPHOOGLQRA-CRCLSJGQSA-N	242.965	-0.038	50	10	BBGE	
O=C=NC1CN(S(=O)(=O)C(F)(F)F)C1	2209433360	JCPHMXRSVNTZLS-UHFFFAOYSA-N	230.167	-0.144	50	10	BBGE	
CO[C@H]1CCN(Cc2cc(B(O)O)cs2)C1	2211071292	APCVIGHGSFPSAR-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@]1(F)CCOC1	2212152137	JINFDWUDLUSUMR-WCBMZHEXSA-N	233.287	-0.185	50	10	BBGE	
CC(C)[C@@H](CO)Sc1ncc(B(O)O)cn1	2212600830	YTLIGKAUMQYDHM-MRVPVSSYSA-N	242.109	-0.735	50	10	BBGE	
OB(O)c1ccc(NCc2cncs2)nc1	2212602203	ACKWUAIOYSZJJT-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
CC(=O)NCCN(C)C[C@@H]1CC[C@H]1C(=O)NN	2215777702	URUXNOXHMWBMCS-VHSXEESVSA-N	242.323	-0.930	50	10	BBGE	
C=C[C@H]1CCCCN1c1ncc(B(O)O)cn1	2217180040	QANPMRVZHVXNAA-JTQLQIEISA-N	233.080	-0.299	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2ncccc2B(O)O)C1	2217184351	OQYSPCSHTXTUIN-IUCAKERBSA-N	235.096	-0.557	50	10	BBGE	
CCN(C[C@@H](C)N)c1cc(B(O)O)c(C)cn1	2217184905	XFJHLRPIVQLQJF-SECBINFHSA-N	237.112	-0.757	50	10	BBGE	
N[C@H]1C[C@@H](CCOc2ccc(B(O)O)cn2)C1	2217194066	ZVKQVEKNDCREQD-WAAGHKOSSA-N	236.080	-0.732	50	10	BBGE	
CC(C)N(C[C@@H](C)O)c1ncccc1B(O)O	2217197191	KTGAHEVHMBSYEN-SECBINFHSA-N	238.096	-0.643	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Nc1cc(B(O)O)ccn1	2217199582	NMTSMTQLVFXWOO-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3CNC[C@@H]32)cc1B(O)O	2223650152	IVEOSEFYIYWYAD-ATZCPNFKSA-N	248.091	-0.943	50	10	BBGE	
N#CCC1CCN(c2ccc(B(O)O)cn2)CC1	2223652605	KMUIHGJHTXMNCE-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCC[C@@H]2CNC3)nc1	2223669059	FPPVNNGZZPYAQC-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2243348903	BSAMCOYYPXHMCU-SSDOTTSWSA-N	222.053	-0.659	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1cccnc1	2243361750	GPHQWHNFKROKBI-QMMMGPOBSA-N	218.021	-0.726	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1ccncn1	2243365039	HAEUOIRYHLDDKZ-UHFFFAOYSA-N	221.025	-0.554	50	10	BBGE	
CN(CCCF)C(=O)c1cc(B(O)O)sn1	2243378639	WYLODIIMGHJQIK-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
C=C(F)CN(C)C(=O)c1csnc1B(O)O	2243378773	YYEHRTPPRPVOKI-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
O=C(NCc1ccno1)C1CC(B(O)O)C1	2243392439	TZFSYVBNLYXGIP-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243392461	UHAUIOOXEXDQEC-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
CCN(CCN(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2243396642	OXGHAWBWTFBXHE-IUCAKERBSA-N	228.101	-0.741	50	10	BBGE	
C[C@H](NC(=O)c1sccc1B(O)O)C(F)F	2243407785	ZWZGUZRYYHYEGU-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccc(B(O)O)s1	2243407854	AXXLRRDNCWSYKT-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
N[C@H]1CCC[C@H]1CNC(=O)C1(B(O)O)CC1	2243408629	QUFCMODNOPKIHR-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2243411412	SORDGLJLSSBXRX-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1O	2243414447	AWHGNMIELOBHIK-DKXJUACHSA-N	227.069	-0.875	50	10	BBGE	
O=C(NCCOCCF)[C@H]1C[C@@H](B(O)O)C1	2243417630	VHZXMFFEVBUPQE-OCAPTIKFSA-N	233.048	-0.658	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCC[C@@H]1CC2	2245181768	CTIXOQJVWWCCNO-KOLCDFICSA-N	221.065	-0.302	50	10	BBGE	
C[C@]1(C(=O)O)CC[C@]1(C)C(=O)NCB(O)O	2245253498	LSOGAADNNKJOFK-RKDXNWHRSA-N	229.041	-0.994	50	10	BBGE	
CC[C@H](COC)NC(=O)c1ccc(B(O)O)o1	2247741529	BFHAJTFNFOABQL-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1cc(B(O)O)c[nH]1	2247747166	JWVCWNJMPNLULF-QMMMGPOBSA-N	234.064	-0.610	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2CC[C@H]1C21CC1	2247747639	QJPQXYZDUPSANP-OPRDCNLKSA-N	233.076	-0.303	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1occc1B(O)O	2247753252	DJTDATATXWPWTM-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](NC(=O)C1(B(O)O)CC1)C2	2247755870	LGOJAOROKNYJHN-NQMVMOMDSA-N	239.080	-0.323	50	10	BBGE	
CC(C)C1CN(C(=O)c2occc2B(O)O)C1	2247757518	VXEWHLYYTMEEDS-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)CN1	2247758086	SPGOJMDNJRVNHB-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2247758364	ZCHMFOLTAWTYRK-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)F)ccc1B(O)O	2247760653	LJWDXCPVPSMCFQ-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247787945	WYKCKLVJECKJPJ-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCN(C)C1	2247797121	GIGFHMYTNLRGFZ-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
N#Cc1ccnc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247797483	JZWGKAUGIJPQNT-YUMQZZPRSA-N	231.020	-0.245	50	10	BBGE	
O=C(Nc1noc(C2CC2)n1)[C@H]1C[C@@H]1B(O)O	2247797766	MPMIGPOYLOIKEH-WDSKDSINSA-N	237.024	-0.252	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@]2(CO)C1	2247809007	WYUNAAXAUWIIPE-SDNRWEOFSA-N	239.080	-0.920	50	10	BBGE	
C#CCCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2247850653	REBPEQDTGIPSIU-UHFFFAOYSA-N	234.064	-0.820	50	10	BBGE	
C#CCNC(=O)c1cc(C)cc(B(O)O)c1F	2247860149	SINAJCHPBQPMMH-UHFFFAOYSA-N	235.023	-0.823	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)[C@@H]1N	2247860546	YAWOUQWUMGWVKK-GRDBIXFFSA-N	240.112	-0.567	50	10	BBGE	
O=C(N[C@H]1CO[C@H](C2CC2)C1)C1(B(O)O)CC1	2247879310	SJTHNLBEPRAAEQ-BDAKNGLRSA-N	239.080	-0.323	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1B(O)O	2247887590	POHLBLZUBKWDCL-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)C(C)(C)C(=O)O	2248577179	KVNLEEBLZAAFFY-UHFFFAOYSA-N	241.052	-0.993	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248579245	YYCMZLFOLPAMDB-GJMOJQLCSA-N	243.068	-0.439	50	10	BBGE	
Cc1nnc(CN2CCC(B(O)O)CC2)n1C	2249377733	HVWWIWMCPFFPME-UHFFFAOYSA-N	238.100	-0.438	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1cocc1B(O)O	2249433550	NQHAJNVGJQNHAI-JTQLQIEISA-N	237.064	-0.170	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1cocc1B(O)O	2249441365	XEQMCNIDPFCVBC-XVKPBYJWSA-N	237.064	-0.122	50	10	BBGE	
CCn1cnnc1NC(=O)C1(B(O)O)CCC1	2250328639	WVLVZHVOSUNVEJ-UHFFFAOYSA-N	238.056	-0.366	50	10	BBGE	
COCCN(C[C@H](C)O)[C@@H](C)CCC(=O)NN	2250551084	FQKBSLFRLKNZNP-UWVGGRQHSA-N	247.339	-0.526	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ccncc1B(O)O	2255449002	JMLACPZOGJUYOF-KWQFWETISA-N	248.091	-0.368	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@@H]3C[C@H]3C2)n1	2255483984	HUVUSKKWFWADRB-IUCAKERBSA-N	246.075	-0.838	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC(C#N)C1	2255509396	KUHQIHXOXRYGOF-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC=CC12CCC2	2255550094	ZWIYISYMSYGOKM-UHFFFAOYSA-N	247.063	-0.976	50	10	BBGE	
CN(Cc1ccncn1)C(=O)C1CC(B(O)O)C1	2255565540	VHSYAJPYVMOALW-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
O=C(NCCc1ccc(O)cc1)[C@H]1C[C@@H]1B(O)O	2255569763	YUCOCSNVKWFWSS-QWRGUYRKSA-N	249.075	-0.086	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC(n2cccn2)C1	2255671447	RBKKOTZFECGADE-UHFFFAOYSA-N	247.063	-0.940	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2258120439	BPTQMAILAFCRHK-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1cc(B(O)O)co1	2258130606	JKUDCFLGRYZNLP-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)co1	2258132927	KMTWQUTWYGJDNW-WEDXCCLWSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)co1	2258133689	IXMBPGIQIYLDDF-ZJUUUORDSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(CCCC2)C1	2258136147	JLLRJXUSKCPJHV-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
N#Cc1ccc(C(=O)NCCC#CB(O)O)cc1	2258963500	UJAHCDBPHQDTMS-UHFFFAOYSA-N	242.043	-0.306	50	10	BBGE	
OB(O)[C@H]1CCN(CC#CBr)C1	2297009408	VCRRAPGAGQISQN-ZETCQYMHSA-N	231.886	-0.109	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CC[C@H]1O2	2298225360	XDBBZKAZLBOKED-UJNFCWOMSA-N	234.064	-0.507	50	10	BBGE	
C=C[C@@]1(O)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2298368530	KIYZSKAOJBAOLM-IQJOONFLSA-N	239.080	-0.611	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370212	RRSCOKMUWQMSJS-SJQPAMGKSA-N	238.096	-0.811	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2298376030	CYAGMYBYEUJIHY-SVSWQMSJSA-N	239.080	-0.610	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN(C[C@H](C)C(=O)NN)C2	2299132128	QAAXQYGTLKGENX-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC=CCN	2301365953	YEZXMAPPJSFJAP-UHFFFAOYSA-N	232.048	-0.868	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2OC	2302212272	XIDOSACFIQKWIG-AXTSPUMRSA-N	243.307	-0.900	50	10	BBGE	
COCC1(C(=O)N2CC[C@](C)(B(O)O)C2)CC1	2303105486	PGTIZSJWERWJMV-JTQLQIEISA-N	241.096	-0.122	50	10	BBGE	
CN(C)CC(C)(C)C(=O)N1CC[C@H](B(O)O)C1	2303115290	RWFBKVHJIRVROM-VIFPVBQESA-N	242.128	-0.351	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]2C[C@@]2(O)C1)C(=O)NN	2303424102	NHFIAQVXZIWMHU-MVWJERBFSA-N	241.335	-0.151	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2304011244	LCZMBDAQSABCMP-IUCAKERBSA-N	239.080	-0.299	50	10	BBGE	
COc1ccc(CN(C)CCC(=O)NN)nc1	2307332752	TVQPUPNNQRUBCO-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
C[C@H]1CNC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317167572	JBUGTAIYYXCIHT-QPUJVOFHSA-N	245.091	-0.742	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1[C@@H]2COC[C@H]1C2	2317168416	UGIMQZPSINHGQM-PHIMTYICSA-N	244.059	-0.784	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317306724	SGPFVTDGTCTGCM-UFBFGSQYSA-N	249.075	-0.692	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1B(O)O	2317457604	MBTBMGAUEWPROS-IONNQARKSA-N	249.075	-0.031	50	10	BBGE	
COc1nc(N)c(C(=O)CCl)c(=O)[nH]1	34343259	HBPRWIGLMWYCMP-UHFFFAOYSA-N	217.612	-0.218	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cnccn1	42062883	GYUMIJAUOPVJRD-MRVPVSSYSA-N	236.231	-0.583	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1CCO	49801548	ZACSQYRKFNKMHD-SNVBAGLBSA-N	243.307	-0.609	50	10	BBGE	
NNC(=O)Cn1cc(C(F)(F)F)cn1	70203525	YUVDJKGTGGABHM-UHFFFAOYSA-N	208.143	-0.108	50	10	BBGE	
CN1C[C@@H](NC(=O)CCl)CCC1=O	82276891	RXHDGIVEXBITMH-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NN	82470497	JLXNKVDFCJFKPR-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CN1CCn2c(nnc2[C@](C)(O)C#N)C1	106366043	FZFLKGBRBALILW-SECBINFHSA-N	207.237	-0.545	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C(N)=O)CC[C@@H]1C	110586401	CGLQKTYERGYJKS-YIZRAAEISA-N	242.323	-0.659	50	10	BBGE	
CCC[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	121930765	NQVVIGSIEMMEKO-KCJUWKMLSA-N	244.291	-0.136	50	10	BBGE	
O=C1NCC[C@@H]1N1CC[C@@H](Br)C1=O	143025131	ONMHPWNVWSUAPS-RITPCOANSA-N	247.092	-0.129	50	10	BBGE	
C[C@H](CN1CC[C@H](CCO)C1)C(=O)NN	159979919	NZJHCKYYDKUDQR-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
CCc1nn(CC(=O)NN)c(CC)c1[N+](=O)[O-]	161005884	QFNWOBHPCVYSLW-UHFFFAOYSA-N	241.251	-0.094	50	10	BBGE	
CN(C)NC(=O)NCCSCC(=O)O	219946369	NOGPMNJJNKQCBO-UHFFFAOYSA-N	221.282	-0.420	50	10	BBGE	
N#CCN(CC#N)S(=O)(=O)CCCl	232295253	VRPLDHQMHRKFCI-UHFFFAOYSA-N	221.669	-0.096	50	10	BBGE	
NC(=O)NCCNc1nnc(CCCl)o1	236168340	BRADFSYLJIFCGE-UHFFFAOYSA-N	233.659	-0.069	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)c(F)n1	238261351	GHNLEZFETLHNRR-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)C(F)(F)F	238621565	BZQVAWPFTUWDNH-SSDOTTSWSA-N	218.971	-0.072	50	10	BBGE	
OB(O)c1cccnc1[C@@H]1CCCNC1	238629298	JHKJEGJSTJPGKK-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
CO[C@H]1CN(CC(=O)NN)CC[C@H]1C	299981824	IYDBXXCRFMBVAW-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](CO)Nc1nc(N)nc(CCl)n1	306613061	KAIVHJQXKNXCKG-BYPYZUCNSA-N	217.660	-0.015	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1n[nH]c(=O)[nH]1	307315118	LWLBRBURYWGFOQ-GSVOUGTGSA-N	204.617	-0.659	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	308928110	QNXPQDOMRWIUOZ-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)CCCO1	310028277	YBMXXTNWJMUFHF-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COC1CN(Cc2ccc(C)c(B(O)O)c2)C1	313772250	VCEHMUROZIADDV-UHFFFAOYSA-N	235.092	-0.495	50	10	BBGE	
COC[C@H](OCCSC)C(=O)NN	378656779	BNIJLKCXVACLOG-LURJTMIESA-N	208.283	-0.629	50	10	BBGE	
COCC(=O)NN=Cc1c(C)nn(C)c1N	378848333	BSGAUYNMOXZILW-UHFFFAOYSA-N	225.252	-0.593	50	10	BBGE	
N#Cc1cnn(Cc2ccc(C(=O)NN)o2)c1	383420414	YHRPRCPJKNKMFC-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CCOC(=O)[C@H](C#N)C(C)=NNC(N)=O	383923908	OGYDNTYUSOEHQM-ZCFIWIBFSA-N	212.209	-0.267	50	10	BBGE	
Cc1cnn(Cc2nc(C(=O)NN)co2)c1	386852449	VNUPYZDBMNYZKK-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
CCN(CCSS(=O)(=O)O)C(=N)N	388122526	WJICPSHCMXUNNW-UHFFFAOYSA-N	227.311	-0.262	50	10	BBGE	
N[C@]1(C(=O)O)CC[C@H](CCCB(O)O)C1	389738286	VCCFMKDTGKJZGE-IONNQARKSA-N	215.058	-0.178	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@H](CO)C1	395614750	NKRNPFRHTCMQDH-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C2CCC1CC2	398898865	PERHLZAURCQOLZ-HACHORDNSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2B(O)O)O1	404958524	IHLMGVYBZVVHQY-KCJUWKMLSA-N	249.075	-0.128	50	10	BBGE	
C#CCOC(=O)NCc1ccccc1B(O)O	405058056	AECGHKDNTFJEDI-UHFFFAOYSA-N	233.032	-0.774	50	10	BBGE	
CN(Cc1csc(B(O)O)c1)C(=O)C1CC1	405063780	SFABBNMAGFNZFH-UHFFFAOYSA-N	239.105	-0.204	50	10	BBGE	
C[C@@H](O)C[N+]1=C=C([C@@H](C)Br)NN1	642832528	MQGOWQNWKWMYRI-PHDIDXHHSA-N	235.105	-0.261	50	10	BBGE	
CO[C@@H](C)CN(C(=O)C(=O)NN)C(C)C	688007941	ALWDOMSQVHXPQE-ZETCQYMHSA-N	217.269	-0.752	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)no2)C(=O)O1	688531059	NJQNKGCMYUPXJE-RXMQYKEDSA-N	240.219	-0.381	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@]1(C)CO	694661391	LILFXFKJNOHKLN-NQMVMOMDSA-N	215.297	-0.685	50	10	BBGE	
CO[C@@](C)(CO)CNS(=O)(=O)CCl	702482080	SPJRJQLCSHZQGZ-ZCFIWIBFSA-N	231.701	-0.501	50	10	BBGE	
CC(C)(CN1CCSCC1=O)C(=O)NN	707912863	KWDQCRQUZGDEEH-UHFFFAOYSA-N	231.321	-0.422	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708080073	LUKPVORUVJMFAG-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
COC(=O)CCCSCC(=O)NN	720430492	MCGQTKBDCUBZIK-UHFFFAOYSA-N	206.267	-0.337	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNC[C@H]1C(F)(F)F	720780795	NUYAPBVJQRAOOU-NTSWFWBYSA-N	225.214	-0.023	50	10	BBGE	
C[C@@]12CSC[C@@H]1CN(CC(=O)NN)C2	725663090	AHRSXEHBGDJMRS-IONNQARKSA-N	215.322	-0.339	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCS1)c1cnn[nH]1	743753433	JCENRGMXMXGOPF-LURJTMIESA-N	241.276	-0.539	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCO2)CCCO1	755171274	ZWUZYICFKGSGQK-LDYMZIIASA-N	242.275	-0.118	50	10	BBGE	
CNC(=O)CC(=O)NNc1ccc(Cl)nn1	789907117	HUKMWBKYDKTNKJ-UHFFFAOYSA-N	243.654	-0.291	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1c1ccsc1	863903786	UDUSTBYZRYLIHK-JGVFFNPUSA-N	240.284	-0.009	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNc1ccncn1	868645996	KCHYNWKCIUQYBT-VIFPVBQESA-N	249.274	-0.069	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	897837769	LUPIYQWJGRLWLM-DJLDLDEBSA-N	242.275	-0.262	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)C1=CCCCO1	1142467924	HSMJCMOKWGZDNQ-UHFFFAOYSA-N	248.242	-0.068	50	10	BBGE	
Cc1ncoc1C(=O)NNc1nccn(C)c1=O	1182902898	OULXUMZXQZSWNE-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
Cn1nncc1NNC(=O)[C@@H]1[C@H]2COC[C@H]21	1331391724	DZJMPOJOBDVJQH-BDINMYNLSA-N	223.236	-0.849	50	10	BBGE	
O=C(NNc1cccnn1)c1ccc[n+]([O-])c1	1637052703	YKXBYHYXISZORW-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
CN(N)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C	1880072734	ZTBLDFDHANSTBI-SSDOTTSWSA-N	247.295	-0.406	50	10	BBGE	
N#CCNC(=O)CNC[C@H]1C[C@@H]1Br	1883528849	CLSYUKHZJRRAKW-RQJHMYQMSA-N	246.108	-0.001	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@]1(C)CCOC1	1888042862	LHVPMBRDZLREPR-IONNQARKSA-N	202.254	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1[C@@H]2C[C@@H]1CN2	1893411211	UDVLRYNYBBFFBB-JHEQGTHGSA-N	214.652	-0.216	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1895241723	RICFTUPHROTRBF-LPEHRKFASA-N	227.308	-0.683	50	10	BBGE	
COC[C@@H]1C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1895277971	YSLGUJUZVHEYEU-JBDRJPRFSA-N	225.244	-0.062	50	10	BBGE	
O=Cc1ccc(NCC(F)F)cc1B(O)O	1901242183	IANNKSRHIVJJDO-UHFFFAOYSA-N	228.991	-0.144	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC=CCN1	1901338784	CIYVXCNQAWWRHK-QMMMGPOBSA-N	247.320	-0.783	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3COC[C@@H]32)c1	1908819560	RBLLRPBVDNKDHV-SCZZXKLOSA-N	237.259	-0.286	50	10	BBGE	
C[C@]1(CCO)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1909029071	OJTTXYBNJOZBFI-HOSYDEDBSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC[C@@H]2CF)O1	1909805040	KLEWGDXAHUFHGQ-UTLUCORTSA-N	245.298	-0.042	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@H]1C	1914334662	JNIUUXHWYBAGRF-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
O=C(O)[C@H]1CCCCC[C@H]1C(=O)NNCCO	1916155840	IMWOSXOXOHUXBZ-BDAKNGLRSA-N	244.291	-0.119	50	10	BBGE	
N#Cc1cnn(C[C@H]2C[C@@H]2C(=O)NN)c1	1927910047	CCRICBTYOJYUOP-SFYZADRCSA-N	205.221	-0.619	50	10	BBGE	
COC[C@H](Cl)CNC(=O)Cn1cncn1	1928693149	YEPURPOHLAUAPP-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC[C@@H]1CCl	1929736871	XAHNTJWJMDSXTM-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NN	1931356962	GBZYHCVNXFVVOI-ZETCQYMHSA-N	235.309	-0.531	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CC(O)C2)C1	1937043559	UCIJKZHXTSNVEX-APPZFPTMSA-N	225.292	-0.931	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@@H](CO)C2)C(=O)NN	1939966983	IXILWBJLUUIPFQ-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H]2C1=O	1940089194	ZNYXCPMORTYNHC-RBXMUDONSA-N	223.276	-0.519	50	10	BBGE	
COCC(COC)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1941085248	LJHFSZBKXWOHFU-WPRPVWTQSA-N	245.323	-0.794	50	10	BBGE	
Cc1nn(Cc2ccncn2)c(C)c1B(O)O	1941976692	NLDJJVIHVVFFMF-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nnc(C)n1C	1943111397	LBQNMOSHXSAEPF-QMMMGPOBSA-N	240.311	-0.676	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CC1(C)C	1944736192	KUBOFWRHGLQOEQ-KXUCPTDWSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](CN1C2CCC1([C@H](C)O)CC2)C(=O)NN	1947845400	NJKKXRRRKBGCGT-RKVXJDFWSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](C)[C@H](O)CO	1954512716	KBFMBGQKGQFNIG-DSYKOEDSSA-N	209.673	-0.138	50	10	BBGE	
C[C@H](CN1CC(CCF)C1)C(=O)NN	1955351390	LOEBYIMKSHZXRR-SSDOTTSWSA-N	203.261	-0.096	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](O)CC	1955926271	ISBGNYAHQJTGTE-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](O)CC	1959516765	JZUBXQJMEYMCDO-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
C#CC1(CNC(=O)c2cccc(B(O)O)c2)CC1	1965313150	XDOYSVVAWBWBDY-UHFFFAOYSA-N	243.071	-0.490	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC=C[C@H](Cl)C1	1975224473	ZOFMCNBDMSDZED-LURJTMIESA-N	248.695	-0.027	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC([C@H](F)CO)CC1	1977993758	KSCSJTODLZFBPG-VXNVDRBHSA-N	233.287	-0.593	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2COCC[C@H]21	1980814062	ORALOAYFWLZUDN-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)c1ncc(CNC(=O)C(=O)NN)s1	1980913128	YGYFYWJSSWBLIB-UHFFFAOYSA-N	242.304	-0.127	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@H]2CCCOC2)C1	1981090119	ZSVZNXNVZUNAJD-IUCAKERBSA-N	229.280	-0.303	50	10	BBGE	
CON(CC(C)C)c1ccncc1B(O)O	1981410385	YZNIQMVXCZXNCO-UHFFFAOYSA-N	224.069	-0.215	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]3C2)c(Cl)c1	1981468708	HCRYHOOYMXSTKG-KNVOCYPGSA-N	238.483	-0.129	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)c1nc(B(O)O)cs1	1981470319	ACLHKVQMDCHVGU-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CCC12CCC2	1982212790	XJZFQDWUJJSHCH-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2COCC[C@H]21	1989937458	YIZPHHVKDJDYNX-RNFRBKRXSA-N	235.234	-0.668	50	10	BBGE	
C[C@H]1O[C@@]2(CN(C)CC(=O)NN)CC[C@H]1C2	1992390397	RGGQPOQFMUUAFY-YWVKMMECSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CN(C)CC[C@H]21	2004306100	DWVQQYLDDXQUQD-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCN1CCCC1=O	2004408027	RLXOCJDDBZWCSE-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CN(C)CCCN(C)c1ccncc1B(O)O	2004935290	MVZFOHGITKSEQG-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Oc1ncccc1B(O)O	2004951585	NPJRJCCKRCZIKT-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2CO3)c(B(O)O)c1	2005014506	MJRBDCYPRWUHAI-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](C(F)F)CC2=O)CC1	2006138328	HCZGKDXMCPFOBH-LURJTMIESA-N	247.245	-0.130	50	10	BBGE	
COC[C@H](CC(C)C)C(=O)NCC#CB(O)O	2021124965	ACNOWICWIXMEQX-JTQLQIEISA-N	241.096	-0.573	50	10	BBGE	
Cc1ncnc(-n2ccc(C3CC3)n2)c1B(O)O	2052599424	HHZCQLYADGPJQJ-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C3CC3)C2)n1	2052625364	YKCRESDALBJITJ-SNVBAGLBSA-N	247.107	-0.299	50	10	BBGE	
N#Cc1c(Cl)ccc(B(O)O)c1[N+](=O)[O-]	2060103790	ZXMLUCPKFFPUGP-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(B(O)O)cc1C#N	2060279054	OUQKLYFAYZQYLI-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
COCc1ccc(C(=O)NCC#CB(O)O)cc1	2077437626	AKUPTWJHXFKTBU-UHFFFAOYSA-N	247.059	-0.422	50	10	BBGE	
C#C[C@H](NC(=O)c1ccccc1B(O)O)C(C)C	2079008502	KIPIVXBDDOBDSK-LBPRGKRZSA-N	245.087	-0.246	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1CC[C@H]1C(=O)NN	2211838581	IVKSTMULBJLFAA-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(OC(F)(F)CF)C1	2211917798	KLTOLLMDIFFFTJ-YFKPBYRVSA-N	241.213	-0.372	50	10	BBGE	
Cc1cc(B(O)O)c(CNC(=O)N(C)C)s1	2211933658	VJCIGJZREJJHAS-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215773037	ADVXSELOECHWJH-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CN(CC1CC(O)C1)C[C@@H]1CC[C@H]1C(=O)NN	2215775622	HZUQDXUSWRNNIT-QONHTCSSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC([C@@H](F)CO)C1	2215776206	LLMSYPBGLGBOFT-SFGNSQDASA-N	245.298	-0.735	50	10	BBGE	
COC[C@H]1C=CCN1c1ncccc1B(O)O	2217172774	MJLJMCGMPCABCG-SECBINFHSA-N	234.064	-0.847	50	10	BBGE	
CC[C@H](CCO)Nc1nccc(B(O)O)c1F	2217181149	NMFFLEYQRPGJRW-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
Cc1cnc(N[C@@H]2COC[C@H]2C)cc1B(O)O	2217181897	WSWGHLQIUBFUFS-PSASIEDQSA-N	236.080	-0.483	50	10	BBGE	
CNC[C@H](Oc1ncccc1B(O)O)C(C)C	2217184704	VOPSLQBSOGZSRS-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
C[C@@H]1C[C@H](Oc2cc(B(O)O)ccn2)CCO1	2217194792	COPSDWJCTNCEFC-PSASIEDQSA-N	237.064	-0.292	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2217204231	GYXYLGMBXZHOLG-JTQLQIEISA-N	231.064	-0.996	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC3CC2C3)c1B(O)O	2222310835	HBTXMMNXICABML-RTBKNWGFSA-N	248.091	-0.110	50	10	BBGE	
CC[C@@]1(CNc2cc(B(O)O)ccn2)CCCN1	2223633864	CALWBAPBUGPHCW-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223635096	SIIIANZWMFITDS-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCCNC1	2223637858	SJUZPJSKLHNXTF-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3CNC[C@H]32)nc1	2223644510	KDVNIAZVYJNVEL-JMJZKYOTSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)C23CCC3)c1	2223673087	WDGRBBDGAKSGBM-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
CC1(C)CNCCCN1c1cc(B(O)O)ccn1	2223673880	MEVNNPZJLKQEDO-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
CNC(=O)c1cc(B(O)O)c(Cl)s1	2241479649	CUQCGZQOGNWZFK-UHFFFAOYSA-N	219.458	-0.559	50	10	BBGE	
COC[C@H](C)NC(=O)c1ccc(B(O)O)s1	2243349920	SMMXBSSVSMZIPA-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
CCN[C@H](C)CNC(=O)C1(B(O)O)CCC1	2243365055	HLBRDLFJTFOBJW-MRVPVSSYSA-N	228.101	-0.502	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)cs1	2243385527	KFGXGDVCFPRXHG-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1C[C@@H]1B(O)O	2243391935	PHLAFVDRGYAXRS-BGZDPUMWSA-N	227.069	-0.731	50	10	BBGE	
CN(Cc1nncs1)C(=O)[C@H]1C[C@H]1B(O)O	2243392724	WLJKGCKDVNVISI-NTSWFWBYSA-N	241.081	-0.641	50	10	BBGE	
CSC1(CNC(=O)C#CB(O)O)CCCC1	2243399985	UEIXQVMETVTGKZ-UHFFFAOYSA-N	241.121	-0.206	50	10	BBGE	
COc1cccc2c1CC[C@](N)(B(O)O)C2	2243577416	MGDKHHIHPDAASR-LLVKDONJSA-N	221.065	-0.107	50	10	BBGE	
CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)C#CB(O)O	2247740095	GBJJVRRYCABQKT-LIJGXYGRSA-N	233.076	-0.638	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H](C)F)c(B(O)O)c1	2247752549	REUFWRRBQNTYLC-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CCC2)n1	2247754024	CVMZEQKGQZPUCO-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@H]21)C1(B(O)O)CCC1	2247757712	RERCFDSTBMDGGD-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
O=C(NC1CCC1)c1ccc(F)c(B(O)O)c1	2247761171	RWWQHVBVCOYHEE-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CC[C@@H]1COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247797521	KKIZUBNACROJSD-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2COC[C@@H]21	2247799687	GWMPMNZKEDVXAO-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2n[nH]cc2C1	2247808059	JVPSLRALMOPHLO-JGVFFNPUSA-N	235.052	-0.843	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2[C@H](C1)C2(F)F	2247809982	SVTZTKVJEGAJHB-HYNHDVCUSA-N	245.034	-0.037	50	10	BBGE	
O=C1C[C@H](C2CC2)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247810190	VMXRRYGFKXCSLX-CIUDSAMLSA-N	237.064	-0.366	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@H]21	2247810745	ZVZMXMRXXAHQGY-FHNUBNKASA-N	238.096	-0.955	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCN(C)C(=O)C#CB(O)O	2247849704	DHNCFRDYCDTAOV-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC2(C1)CC21CC1	2247849781	FDSQANOACJVXBU-UHFFFAOYSA-N	233.076	-0.302	50	10	BBGE	
O=C(NCCCC(F)F)c1cc(B(O)O)c[nH]1	2247850341	NDGGYLOGDAPXGM-UHFFFAOYSA-N	246.022	-0.530	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@H]1O)C1(B(O)O)CC1	2247871031	VADZKLOTWICEOR-YUMQZZPRSA-N	239.080	-0.587	50	10	BBGE	
Cc1nccc(CNC(=O)C2(B(O)O)CC2)n1	2247878221	IIYHRJYAVUGXRA-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CNC2)C1(B(O)O)CC1	2247879938	WXPHWEFBKUQTKG-GZMMTYOYSA-N	238.096	-0.748	50	10	BBGE	
COC[C@H](CNC(=O)C1CC(B(O)O)C1)OC	2247892999	KWBKDWQDFUECQF-HACHORDNSA-N	245.084	-0.983	50	10	BBGE	
CCn1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247894978	MWHXFLVGRLODQH-BDAKNGLRSA-N	237.068	-0.618	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247897656	VRYSDBSWYPOUTK-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
CC[C@]1(N)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899578	OKHCKMNSRFFJIQ-NGZCFLSTSA-N	240.112	-0.421	50	10	BBGE	
O=C(N[C@]1(CF)CCNC1)[C@H]1C[C@@H](B(O)O)C1	2247908838	ATGBRWVQRAWKIY-XKSSXDPKSA-N	244.075	-0.943	50	10	BBGE	
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248575706	HKUUCBONKMIKRB-DAGMQNCNSA-N	241.052	-0.781	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)co1)C1CC1	2249410835	OVOQXSMLJXJZQG-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NCCC#CB(O)O	2249998493	JRNYYSQZSPLDPY-ZJUUUORDSA-N	239.080	-0.819	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CC[C@H]2C1	2255473780	NXIBLPCEOHSVLL-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
C[C@H](COc1ccccc1)NC(=O)C#CB(O)O	2255475759	BQPMMFGUUMRWRW-SNVBAGLBSA-N	247.059	-0.415	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCOC1	2255515403	XEYRZGNMADVWGO-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ccc(B(O)O)cn1	2255520233	IFFMLGXNIOPQIR-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)co3)[C@H]1C2	2258130138	BTFZEWYYTDCSGX-KBVBSXBZSA-N	249.075	-0.122	50	10	BBGE	
N[C@H]1C[C@@](F)(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298369693	BTBDCGOHMYGHEL-MTODJDAWSA-N	244.075	-0.815	50	10	BBGE	
O=C(NC[C@@]1(F)CCCNC1)[C@@H]1C[C@H]1B(O)O	2298375078	XZKOBRAUKDASQO-NQMVMOMDSA-N	244.075	-0.943	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC[C@@H]1O	2298632253	PTGFXGKMWGXNRD-HJGDQZAQSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	2302060125	NDNOESVCLBMHFQ-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@H]1CCO1	2302382161	COPSPSNQXBMUCZ-LLVKDONJSA-N	235.092	-0.413	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@](C)(B(O)O)C2)n[nH]1	2303105814	QUOPRAIURMIGBJ-JTQLQIEISA-N	237.068	-0.203	50	10	BBGE	
O=C([C@@H]1[C@H]2COCC[C@H]21)N1CC[C@@H](B(O)O)C1	2303111198	HBQADSLYOUTIAJ-IMSYWVGJSA-N	239.080	-0.656	50	10	BBGE	
N#CC1(O)CCN([C@]2(C(=O)O)CCOC2)CC1	2304780872	YJVVRUGTFMXOIP-LLVKDONJSA-N	240.259	-0.419	50	10	BBGE	
OC[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312612200	ICHAPAGNPHDZHL-QCNRFFRDSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@H]3CC[C@H]2O3)[nH]c1	2312612378	UOFZBMGYERJIQH-INTQDDNPSA-N	248.091	-0.837	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C=C[C@@H]1C2	2313083713	QLSFWYTUNDZXBT-PSASIEDQSA-N	247.059	-0.250	50	10	BBGE	
C=CCN(CCO)c1ccc(B(O)O)cc1C#N	2317164132	VVKKTBBMNNPIHH-UHFFFAOYSA-N	246.075	-0.777	50	10	BBGE	
N#CC1(F)CN(C(=O)c2ccc(B(O)O)cc2)C1	2317367972	HSKPNGNKAMHQGS-UHFFFAOYSA-N	248.022	-0.946	50	10	BBGE	
NNC(=O)Nc1nonc1-c1ncon1	57353858	VJEFNHDQRIXCBX-UHFFFAOYSA-N	211.141	-0.885	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)CC1	82465994	YFKUZDJLQQUPCC-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CCN(CCO)[C@H](C)CCC(=O)NN	82468836	PSMQNFXPZSIZAZ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCOCC1	86313526	OLOHPJUMLISUAD-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CSCC(=O)NNC(=O)[C@H]1CCCOC1	89994920	SMKKRHJADPQZRZ-ZETCQYMHSA-N	232.305	-0.077	50	10	BBGE	
COC(=O)N1CC[C@H]2C(=O)OC(=O)[C@@H]2C1	107248048	LRMPCGWUPKXAAG-PHDIDXHHSA-N	213.189	-0.226	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)CCCl	130227933	AAIOPDHADNBMGX-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
O=C(c1c[nH]nn1)N1CCOC[C@@H]1CCl	159442177	JAUUHNNJZQPXHC-LURJTMIESA-N	230.655	-0.116	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H](C(N)=O)C1	211829916	GCQKBKHWAHSHMK-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
COC[C@@H](CCl)NC(=O)[C@@H]1COCCO1	228931022	RCPIXHFDPWQUJJ-SFYZADRCSA-N	237.683	-0.228	50	10	BBGE	
CC[C@H]1CN([C@@H](COC)C(=O)NN)CCS1	232420797	YGLOEXYBLIXYOR-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
COC[C@@H](SC1CCOCC1)C(=O)NN	232421579	DEGQIPIUZQSMJG-MRVPVSSYSA-N	234.321	-0.097	50	10	BBGE	
O=C(O)c1cc(Br)c(B(O)O)cn1	238632994	JPJPEPQUFCAYLK-UHFFFAOYSA-N	245.825	-0.778	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)C[C@H]1C	300355481	OOEFHDGWUBYTJI-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
CC(C)NC(=O)CS[C@H](C)C(=O)NN	300914604	XUKHJJBOFXQTDG-ZCFIWIBFSA-N	219.310	-0.377	50	10	BBGE	
OC1CN(C[C@@H](O)CBr)C1	307203177	DUTUYVDRIYCDCF-YFKPBYRVSA-N	210.071	-0.581	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1CCOC1	307746859	WVDPHJSKNZVGKG-RXMQYKEDSA-N	203.267	-0.852	50	10	BBGE	
CNC(=N)NNC(=O)c1nc(Cl)cnc1N	381263290	SOBSQAMRCAGILJ-UHFFFAOYSA-N	243.658	-0.899	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OCC(F)F	382630622	AQAXMPPZIYURAF-UHFFFAOYSA-N	245.974	-0.292	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](SC)C1	382865142	BPDFOOAMHHTZFN-HTQZYQBOSA-N	233.337	-0.571	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1[C@H](C(=O)NN)C(C)(C)C	384777900	HSVSLBAIJUKNCG-IWSPIJDZSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](O)[C@@H](C)NS(=O)(=O)CCCl	387200526	XGEQSQVLIOQZRR-RITPCOANSA-N	215.702	-0.086	50	10	BBGE	
OB(O)c1cnc(-c2cnccn2)cc1F	390378316	YLPGVCFREQYFBJ-UHFFFAOYSA-N	218.984	-0.643	50	10	BBGE	
CCOc1cc(CCC=O)ccc1B(O)O	396095308	LHYMYPGKFWGJPO-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
OCc1csc2c(B(O)O)c(O)ccc12	396339353	KDQOSJNRGASABL-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1F)[C@@H](O)C1CC1	396437715	AVJQZAYMAXSODE-QWRGUYRKSA-N	239.055	-0.724	50	10	BBGE	
CNC(=O)CCS[C@@H](C)CC(=O)NN	399153240	AKQPCZCJTUITJN-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
CCCC(=O)Nc1cc(B(O)O)ccn1	404979545	GYZTWXDCYUJTHO-UHFFFAOYSA-N	208.026	-0.500	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@@H]1CCOC1	405040524	VWADOMPFCQAWOX-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
CSc1cc(O)c(F)c(B(O)O)c1	575705828	OKAIWVJNBXHOIB-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
OB(O)c1ccc(CNCC[C@H]2CCOC2)cc1	585034085	GDIGLNODVWLNAR-LBPRGKRZSA-N	249.119	-0.117	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1Cc1cccc(B(O)O)c1	688911962	LQSBRGUUYXFMLQ-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
CN(C)C[C@H]1CCN(CCC(=O)NN)C1	689161428	XDPFKXWWJBHARD-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
COCCOCCN1CCC(O)(C#N)CC1	692091094	OHVRBCANZPSLOX-UHFFFAOYSA-N	228.292	0.000	50	10	BBGE	
CCCNS(=O)(=O)N1CCC(O)(C#N)CC1	692121890	OLVRCCUNBXAQJA-UHFFFAOYSA-N	247.320	-0.419	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCCC[C@H]1C2	693536208	LTMOWDUGQZZAID-OIBJUYFYSA-N	211.265	-0.327	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CNC(=O)C(=O)NN)[C@@H]1C	701209399	WRJPQLXMBSQHQG-CWKFCGSDSA-N	229.280	-0.848	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2N1CCOCC1	703471403	ZDWNAFPOAHFDSZ-HTQZYQBOSA-N	226.232	-0.850	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2CCCO2)c1	703718338	UHQWJKYMJVTOFR-SECBINFHSA-N	210.042	-0.868	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706114827	LNHIYTPNOCKRPA-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
O=C(NCB(O)O)c1ccnc(F)c1F	706525628	BNCVQEQXVXXNNZ-UHFFFAOYSA-N	215.952	-0.898	50	10	BBGE	
CCOC[C@H]1CCN([C@@H](C)C(=O)NN)C1	708273201	NOLLVXQHRFIGKO-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(C(=O)[C@@H]1COCCO1)[C@H]1COC[C@H]1Cl	709088763	PKXFOIXQTTWIGZ-VGMNWLOBSA-N	249.694	-0.134	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@@H]1COC[C@H]1O	709111741	WGSWLYSCVVFXDP-FSDSQADBSA-N	207.657	-0.168	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCCCCC(=O)NN	711136119	XXDIBUHLXOFRSA-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
CN(C)C[C@H](O)CNS(=O)(=O)CCl	717378417	UHOJYWMZQBTOCH-ZCFIWIBFSA-N	230.717	-0.975	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1C[C@H]2CCCN(C1)C2	718917429	BLLWIZYQBFCRFC-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](OCCn1cc(C(=O)NN)nn1)C1CC1	719081904	KJWSREALYOZAKZ-SSDOTTSWSA-N	239.279	-0.303	50	10	BBGE	
CNC(=O)NN=Cc1nccnc1OC	792984651	DPHYDHXNNQYULI-UHFFFAOYSA-N	209.209	-0.252	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](O)C(C)(C)C)n1C	856047557	WKSAGTHIQKGKNU-ZETCQYMHSA-N	241.295	-0.026	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1cnsn1	918278152	QFFLPXLKGXTMAN-UHFFFAOYSA-N	212.234	-0.291	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnc2[nH]cnc12	1136447658	DCKBXSSJVCXOML-UHFFFAOYSA-N	248.246	-0.126	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)O	1138284089	BNKUWIRNYFRQEO-SFYZADRCSA-N	242.275	-0.504	50	10	BBGE	
CC(=O)NNC(=O)c1cccc(-n2cncn2)n1	1440720375	AVWZKDDOQRJPSM-UHFFFAOYSA-N	246.230	-0.557	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)[C@H](O)C1	1652931865	JAMAXMRRJCHLMI-DTWKUNHWSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)CCCl	1882409697	WFBVHEAZGXPBQJ-XVMARJQXSA-N	227.713	-0.086	50	10	BBGE	
N[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1883648766	FWFVKEKTNWOFSX-IPWVHJGXSA-N	202.641	-0.132	50	10	BBGE	
CCN(CC)CCCOCC(=O)NN	1884746579	RYXDRKYCONMDDK-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)C[C@@H](O)CCl	1884852152	HVBYNRWYCMIJKG-XHNCKOQMSA-N	223.700	-0.068	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1CF	1885917856	WFKDEWUBVFORBE-ZETCQYMHSA-N	205.233	-0.963	50	10	BBGE	
CCCn1nc(Br)nc1B(O)O	1893816430	JTWZTOLHBDFNJZ-UHFFFAOYSA-N	233.862	-0.870	50	10	BBGE	
N[C@@H]1C[C@@H](CNC(=O)C=CC(=O)Cl)C[C@H]1O	1897219395	LHILKLBISQUPFW-BWZBUEFSSA-N	246.694	-0.478	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC(=O)/C=C/C(=O)Cl	1897227777	WSGXSPUZPQXNQC-DVQVPQLOSA-N	246.650	-0.933	50	10	BBGE	
C[C@H]1C(NC(=O)c2cnsc2B(O)O)[C@@H]1C	1900453107	VGZLJHKMSOCQBC-RFZPGFLSSA-N	240.093	-0.793	50	10	BBGE	
CC(C)[C@H](OCC1[C@@H]2COC[C@@H]12)C(=O)NN	1902165979	QNCSUHUBYBQBIS-MRTMQBJTSA-N	228.292	-0.090	50	10	BBGE	
CC12CC(CN1Cc1nc(B(O)O)cs1)C2	1902638079	VIRCTDNMKILWFQ-UHFFFAOYSA-N	238.121	-0.193	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCNC1	1904036684	VRZASZVIMIIODX-SFVIPPHHSA-N	226.085	-0.892	50	10	BBGE	
Cc1cn(C[C@@H](C)C(=O)NN)ccc1=O	1912215053	CPWMMYNNBWSOCO-MRVPVSSYSA-N	209.249	-0.217	50	10	BBGE	
CC[C@H]1CCOCCN1[C@H](C)C(=O)NN	1913639711	ORMKPPRLGQTYHT-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1914345660	IUFZAGSFTKOEEM-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917086390	HJXLZWLXJQGSDV-PSASIEDQSA-N	233.287	-0.449	50	10	BBGE	
NC(=S)NNC(=O)c1noc2c1CCC2	1924542835	ONGBWFATUVEPKP-UHFFFAOYSA-N	226.261	-0.359	50	10	BBGE	
CC(C)(CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	1928848202	SAKDVPSAPXILJQ-BQBZGAKWSA-N	213.233	-0.326	50	10	BBGE	
NC(=S)NNC(=O)CN1CCCCC1	1929597589	WUBVEHFGEYAXPB-UHFFFAOYSA-N	216.310	-0.663	50	10	BBGE	
NNC(=O)CCSc1nc(O)ncc1F	1929951802	DWGGOMUDZCUUHF-UHFFFAOYSA-N	232.240	-0.207	50	10	BBGE	
OCC[C@]1(CO)CCN(C[C@H](O)CCl)C1	1932830735	SZZMCZUICSIXHV-NXEZZACHSA-N	237.727	-0.347	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2C[C@H]1C(F)(F)C2	1934688713	ZNYBTAYKZPAQQZ-UHNVWZDZSA-N	219.191	-0.768	50	10	BBGE	
CN(C)CCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1936095129	UFXHPIHWXMOUSC-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCSC2=O)CC1	1938260354	SLFOBEVWEZYZHM-UHFFFAOYSA-N	243.288	-0.158	50	10	BBGE	
CN(CC1CCOCC1)C[C@H]1C[C@H]1C(=O)NN	1941089801	XFOIGUDYMWOHQK-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CCCCN(CCOCC(=O)NN)C1=O	1941779453	CYWRZZDHALYZNS-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCC[C@H]1C2	1942019041	JFBGBZAFFRAUAP-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@@]1(CO)C2	1942115904	QJABIJNRZBXYGP-SVDPJWKOSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H](CN1CC(=O)OC(=O)C1)[C@@H]1CCOC1	1945090502	AVYHKYDNLRYWBC-BDAKNGLRSA-N	243.259	-0.577	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)[C@@H]1CCOC1	1946751671	GPUZTOMCRZVGQZ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)CC12CCC2	1949820901	VPIXZMZAXAQTJF-IVZWLZJFSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CCC[C@H](C(=O)NCB(O)O)C1	1951321816	IBBQJFTUCNWVNY-YUMQZZPRSA-N	215.058	-0.680	50	10	BBGE	
O=S(=O)(CCl)N1CC(O)(C(F)F)C1	1954059637	KNBOJFFGBHYIHS-UHFFFAOYSA-N	235.639	-0.176	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)[C@@H](C)O	1954249800	IOZGQELRGDEAPM-RITPCOANSA-N	224.351	-0.178	50	10	BBGE	
CCN1CCN(C(=O)CCl)CC1=O	1954394186	XJYGWVMHMLZIPK-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)C[C@@H](C)Cl	1957308359	VOFKDTLFEQAOKT-PHDIDXHHSA-N	223.656	-0.346	50	10	BBGE	
CO[C@H]1C[C@H](N(C)C(=O)NN)C[C@H]1OC	1957497144	PCBXIGFJCHKMFZ-WHUPJOBBSA-N	217.269	-0.306	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@H](O)CCl)CC[C@H]12	1960147068	BFZNNHQKKUKFSM-HLTSFMKQSA-N	232.711	-0.346	50	10	BBGE	
O=C1CN(C(=O)CCCl)CCN1CCO	1961452544	CGQIDQGJOHQJDH-UHFFFAOYSA-N	234.683	-0.722	50	10	BBGE	
Cc1ncn(-c2nc(B(O)O)cs2)c1C	1961721766	CNHXCMTWCZVDAO-UHFFFAOYSA-N	223.066	-0.375	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1978185337	RZBLAMANWKNBPB-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H](C)C1CC1	1978614702	PKFHGWNEZVKMIG-WCBMZHEXSA-N	229.324	-0.031	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)c1nc(B(O)O)cs1	1981470318	ACLHKVQMDCHVGU-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
Cc1cnc(N2CC(CF)C2)c(B(O)O)c1	1981470828	DZMRPYMUVJBJBN-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C2(O)CC2)C1	1987340950	OZPUEOCPSRRFRR-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1ccccc1B(O)O	1987768102	AUDONUVKSJSFKP-KCJUWKMLSA-N	222.049	-0.220	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@H]1CCNC1=O	1991285922	MHFXDIMYCHHTIT-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1991685751	NBMVAVCMPXFYJB-HCWXCVPCSA-N	249.650	-0.254	50	10	BBGE	
C=C(CN1CCN(CC)CC1(C)C)B(O)O	1992144780	DIUSXEPUWYHADI-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	1992836371	MMXXJOGXTDKHRX-OIBJUYFYSA-N	219.049	-0.495	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	1996645915	PUVITNNBPMBUCE-ZETCQYMHSA-N	235.052	-0.859	50	10	BBGE	
CC1(C(=O)N[C@H](CB(O)O)C(=O)O)CC(F)C1	1998137941	QQBZUKYUIRWOKN-PDFHVUPVSA-N	247.031	-0.833	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)N1CCC1	1998337513	CDOTUHIJKLNQLW-UHFFFAOYSA-N	234.064	-0.718	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)[C@@H](C)C1	2000981691	WXIGVHDKDJFRFE-WPRPVWTQSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C(=O)NC(C)(C)C)C1	2002647057	GWTZRJCCKKRDHS-ZETCQYMHSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CN(C)CC[C@H]21	2004170822	PRKZHCRCTSRAJS-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CC(C)OCCN(C)c1ccncc1B(O)O	2004936229	WRNHNPOOBSOBPI-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
C[C@H](F)[C@H]1CCCN1c1ncncc1B(O)O	2010591394	MJWIZWZQIFAMSV-IONNQARKSA-N	239.059	-0.517	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010835308	NHPDAXDQXINKJW-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccc(OC[C@]23C[C@H](CO2)C3)cc1	2018461561	PPWUPBCGTMDBBI-WVSHTKLVSA-N	234.060	-0.076	50	10	BBGE	
C=C[C@@]1(O)CCCN(CC(F)(F)C(=O)NN)C1	2018855362	FOMAZCOCBLIOHD-SECBINFHSA-N	249.261	-0.376	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@H](C)C1(F)F	2019212142	RVVOAZSGZSTNAJ-POYBYMJQSA-N	249.261	-0.013	50	10	BBGE	
CC1(C)C[C@@H](CC(=O)NCC#CB(O)O)CO1	2021106655	IMWJBIAJGVWDLA-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NCC#CB(O)O)(CO1)C2	2021110637	RMKKOGMFYBOCMC-QWRGUYRKSA-N	237.064	-0.923	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccccc1B(O)O	2022199471	FMABPBMUOLPZMR-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ccncc3B(O)O)C[C@@H]12	2025800896	NSVHZRDRJANOJQ-UTLUCORTSA-N	232.092	-0.146	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)C[C@@H]1CCN1	2027265752	VUJGJOXARHVYSX-JTQLQIEISA-N	249.318	-0.182	50	10	BBGE	
Cc1nn(C)c2ncc(C(=O)NNCCO)cc12	2031837963	YOGOCNJPMGPQCR-UHFFFAOYSA-N	249.274	-0.497	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1ccc(B(O)O)cn1	2040766428	DIJREPQHLKSVIW-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2CC2(C)C)c1B(O)O	2052550032	MZGFADFIWACWDK-VIFPVBQESA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)[C@@H](C)C2)ncc1B(O)O	2052555111	CSVSICMIIPUJNK-BDAKNGLRSA-N	249.123	-0.053	50	10	BBGE	
CCOc1cc(C)c(B(O)O)c([N+](=O)[O-])c1	2060032924	CGKWQSPQQQOLJS-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
N#Cc1cc(Cl)c(B(O)O)c([N+](=O)[O-])c1	2060102898	NEJSCYBKHTXGSK-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H]1CCC[C@@H]1O	2210165726	OGRZULHWWNBGKU-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CC1(C(=O)NN)CCC1	2212265588	ICGPVNZCRITKKJ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CCOCCCNc1ncccc1B(O)O	2212601611	QGCIMVAGBGCULW-UHFFFAOYSA-N	224.069	-0.400	50	10	BBGE	
CC#C[C@H](C)Oc1cc(B(O)O)c(C)cn1	2212603085	CAWBSQCJRKJPFN-VIFPVBQESA-N	219.049	-0.140	50	10	BBGE	
C#C[C@@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212606735	YZFKXZQBOQZPPD-MRVPVSSYSA-N	218.065	-0.827	50	10	BBGE	
C#CC(C)(C)Oc1nccc(B(O)O)c1F	2212608364	SNPRRPTXEJBUTJ-UHFFFAOYSA-N	223.012	-0.309	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2C2CC2)c1	2212614476	DTTWFEGNNGJLMW-JTQLQIEISA-N	218.065	-0.250	50	10	BBGE	
C[C@@H]1COCCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215773452	SPXWSIVSQZXLBQ-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@@H]2C(=O)NN)C1=O	2215774376	WQLLIHOOJAJHEZ-PRJMDXOYSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@@H](O)CC1	2215778417	ZBGSOLYUQQMRBT-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COCC[C@H]32)CCC1	2216528775	UFSVGRZMOBRYDQ-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC2CC=CC2)c1	2217175122	DUZLEGIWSLZKGM-UHFFFAOYSA-N	232.092	-0.049	50	10	BBGE	
COC[C@H](Nc1ncc(B(O)O)cn1)C(C)C	2217177924	PCUJOBFEUIQIQJ-VIFPVBQESA-N	239.084	-0.761	50	10	BBGE	
Cc1cnc(N2CC3(CCO3)C2)cc1B(O)O	2217184240	NTFLTLMPXNQECY-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
C[C@@H]1CNC[C@H](Oc2cc(B(O)O)ccn2)C1	2217186735	OJRDUCMSRDVWEV-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
C[C@H](CO)CCCN=c1cc(B(O)O)cc[nH]1	2217197240	YQZZEDQPCMGGMG-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
C#CC1CCN(c2ncc(B(O)O)cn2)CC1	2217197382	LVUNWUZLOYTQDP-UHFFFAOYSA-N	231.064	-0.994	50	10	BBGE	
CC[C@@H](CN(C)C)Nc1ccc(B(O)O)cn1	2217202366	JVGASRIWSZLSIH-JTQLQIEISA-N	237.112	-0.487	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC=CCC1	2217205279	WWKUXNYMUOPXPJ-SNVBAGLBSA-N	233.080	-0.299	50	10	BBGE	
Cc1cnc(OC2CC3(CNC3)C2)cc1B(O)O	2223624330	JGSVWUMLNXATPJ-UHFFFAOYSA-N	248.091	-0.799	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ccn(C)n1	2223635322	VTZMSUVVVSFHIW-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OC[C@@H]1CC2(CC2)CN1c1ccc(B(O)O)cn1	2223636191	HDGKOWPVLIERSN-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223638804	ZJAPWTGNMPNOJJ-SCZZXKLOSA-N	249.123	-0.328	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2223672100	DAGAFDRNDJSPPM-PKZYVASSSA-N	246.119	-0.113	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)N1C	2223678928	JQTKAUIXFIEXKW-KOLCDFICSA-N	249.123	-0.344	50	10	BBGE	
C[C@@H](F)CNC(=O)C1(B(O)O)CCC1	2241472559	UEEJGKJKAUSJIT-ZCFIWIBFSA-N	203.022	-0.142	50	10	BBGE	
NNC(=O)COCCS[C@H]1CC[C@H]1O	2242419298	PPNCOIQXWNYTCG-RQJHMYQMSA-N	220.294	-0.751	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@]2(O)C[C@@H]2C1	2242811759	YEKVCNMKKKDSTJ-HTRCEHHLSA-N	235.234	-0.932	50	10	BBGE	
C[C@@H]1N(C(=O)C#CB(O)O)C(=O)CC1(C)C	2243357593	YTWLYENUMJRFAS-ZETCQYMHSA-N	223.037	-0.825	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2243365539	NZZWBVVRRBBEIL-BQBZGAKWSA-N	225.053	-0.366	50	10	BBGE	
CCCN1CC(NC(=O)C2(B(O)O)CC2)C1	2243365677	PUAUWJOADRFSGY-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CC1(F)CN(C(=O)c2cc(B(O)O)cs2)C1	2243378455	TVULDDDPLKRVIG-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)sn1	2243378537	VEPKAXMVQFTBBV-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccoc1B(O)O	2243406515	ABVMNFFDDPOBNL-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
O=C(NC[C@H]1CC=CCO1)C1(B(O)O)CC1	2243409060	AJUWXPLIPAVIDE-MRVPVSSYSA-N	225.053	-0.545	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1coc(B(O)O)c1	2243409553	KIGACBZUDVUNSJ-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
N[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243409677	MROAUKRMQVRHAO-HTQZYQBOSA-N	226.085	-0.763	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]1O)C1CC(B(O)O)C1	2243416191	IJNQQVYBRSSAKG-KHONBHQKSA-N	227.069	-0.874	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2243753629	XDYKKKNTAVLDRB-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
C[C@]1(CO)C=CCCN1CCOCC(=O)NN	2246358806	ILCUZOWYYPYZBF-LLVKDONJSA-N	243.307	-0.994	50	10	BBGE	
C[C@@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@@H]1C	2247733346	AVDFWKYBYZXSGG-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1	2247742527	PWJOHSGTOZFSIT-URLYPYJESA-N	233.076	-0.137	50	10	BBGE	
C#CC1CC(NC(=O)c2ccc(B(O)O)o2)C1	2247746624	BIDBVSYGOSKOPB-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(B(O)O)c[nH]1	2247747903	UXHPWAWEPJADJN-BWVDBABLSA-N	234.064	-0.777	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@]1(C)CN	2247753137	BXKLUUXWQPATOS-WCBMZHEXSA-N	240.112	-0.563	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1N2)C1(B(O)O)CC1	2247755570	KIAHADXFDVEIHH-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
Cc1cc(O)nc(NC(=O)C2(B(O)O)CC2)n1	2247756532	MUKYVGAGGRNCKZ-UHFFFAOYSA-N	237.024	-0.564	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2247771166	KCVOHDLUAVUUCC-VIFPVBQESA-N	234.064	-0.614	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1cnn[nH]1	2247804598	HWBPNFZFNGGVOG-VTSJMVTISA-N	238.056	-0.765	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COC[C@@H]2C1	2247807604	RFVRURLSOURWMY-XKNYDFJKSA-N	239.080	-0.656	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCNC1	2247858394	DQFPFJZUEUZYRH-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CN(CCC(F)F)C(=O)c1ccoc1B(O)O	2247866241	IUTABZCIOQTKFW-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1ccoc1B(O)O	2247867643	JUUKFMAWUARLBJ-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CN1)C1(B(O)O)CC1	2247878591	ONCSSZKVZMIYCX-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2247878808	NOBIHDHIHLBUHA-QMMMGPOBSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@]12CCOC2	2247894329	FSBITOYIUZJFFB-KKZNHRDASA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247896208	YCDCAKSPPKWBHK-RXKWGBCNSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247896745	JXFHTKJTJWQZCP-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
C=CCCOCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247898438	DOZKCVDZNAUJPS-MGCOHNPYSA-N	241.096	-0.052	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCN[C@H]2CC[C@@H]21	2247902419	FAZIIRFDOHUQGZ-QLEHZGMVSA-N	238.096	-0.798	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247910022	MELQRFIUESIDHZ-CYBICODVSA-N	241.096	-0.077	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586333	ZIJIOLQASXMQNG-CSMHCCOUSA-N	241.052	-0.685	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586455	AZWVMDSDKNGVJG-PJKMHFRUSA-N	241.052	-0.685	50	10	BBGE	
CCN(CCC(=O)O)C(=O)C1(B(O)O)CCC1	2248587238	NLMWBEOLINLKPG-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1cocc1B(O)O	2249406570	FPVAPVBNJAKIRO-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2251596857	DEPPCXWFEZKRCW-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H]3C[C@H]2CO3)nc1	2254489493	URFCDAGXDYAGIS-LSJOCFKGSA-N	248.091	-0.259	50	10	BBGE	
C=CCCCN(C)C(=O)c1ccc(B(O)O)cn1	2255521629	YSABTSSMGCFEHW-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
CC(C)=CCCNC(=O)c1ccc(B(O)O)cn1	2255524054	UXAQXFYYSMINSC-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
Cc1nccnc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2255572223	WSJYSVKDXQDUQX-IUCAKERBSA-N	249.079	-0.394	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2C=CCC2)oc1B(O)O	2255578051	CJBRNXSBNMZFFR-VIFPVBQESA-N	249.075	-0.036	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255727346	OHECLFUVHSNHET-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
C=CCCNC(=O)c1c(OC)cccc1B(O)O	2255747803	RIROHILWRBOTCF-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1ccc(B(O)O)o1	2257072260	UKYIMONYHMFMDL-SFYZADRCSA-N	249.075	-0.170	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1[C@@H](C)[C@H]1C	2257488100	UBSQCMHNUUXLAV-VROVMSAKSA-N	248.091	-0.546	50	10	BBGE	
O=C(NCC[C@H]1CCO1)c1ccccc1B(O)O	2263967435	BWVASBPTEABNMR-VIFPVBQESA-N	249.075	-0.725	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2298371309	HMHHUDAIFNJZDR-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CCCC(=O)NN)C[C@H]1O	2302049552	IEWSELTVTXFIKK-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1ncc(B(O)O)cn1	2307286359	PLDIINZVFAJZTL-OTSSQURYSA-N	239.059	-0.659	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1F	2320786640	AWQPRALSZATCHI-NKIIXMILSA-N	248.066	-0.255	50	10	BBGE	
CCC[C@H](N)C(=O)N[C@@H](CCl)C(=O)O	26173502	HKHSYFRVFBSWOT-WDSKDSINSA-N	222.672	-0.078	50	10	BBGE	
NC(=O)CNS(=O)(=O)CCCCl	36881356	GCXPAUBTSUMEAH-UHFFFAOYSA-N	214.674	-0.980	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1	44678622	WUKVFBVNGCGHRS-DTWKUNHWSA-N	219.244	-0.351	50	10	BBGE	
CCN(CCOC)[C@H](C)CC(=O)NN	58837782	QQXPHBHZDGMLHG-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)CC1	58863448	QANBLFSNAVNNMD-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccccc2=O)nc1	94764103	ZFERUUVOYDLADL-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
NN1CCN(C(=O)C(Cl)Cl)CC1	100197326	XXSAVNSLEBVQSM-UHFFFAOYSA-N	212.080	-0.192	50	10	BBGE	
O=C(O)/C=C/C(=O)NNC(=O)C(F)(F)F	101463480	KBYRSJUTRIHUIE-OWOJBTEDSA-N	226.110	-0.663	50	10	BBGE	
CCOC(=O)CC[C@H]1NC(=O)OC1=O	114610921	FHBKACWGGGMHSG-RXMQYKEDSA-N	201.178	-0.035	50	10	BBGE	
C[C@H](CO)N(C)Cc1cc(C(=O)NN)no1	125438473	YRRQHWMQHMPZHQ-ZCFIWIBFSA-N	228.252	-0.909	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)CC1CCCC1	188140347	YLUPCROJQAQCQS-UHFFFAOYSA-N	241.291	-0.150	50	10	BBGE	
C[C@H](CN1C[C@@H](N(C)C)[C@H](C)C1)C(=O)NN	227251235	JDILUVSTBUELMU-OPRDCNLKSA-N	228.340	-0.506	50	10	BBGE	
C[C@@H](CN1CC(=O)OC(=O)C1)[S@@](C)=O	228663790	YLKLIZHFSBYLQV-DXRPGJJCSA-N	219.262	-0.861	50	10	BBGE	
COCCS(=O)(=O)N[C@H](CCl)COC	229023880	CBZJYRRHZQUDCT-SSDOTTSWSA-N	245.728	-0.194	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H]1CNC(=O)C1	229036000	XDFMKKVTPYGHBU-RFZPGFLSSA-N	235.081	-0.226	50	10	BBGE	
COCCCOCCOCCCC(=O)NN	232206026	YJGTYWCEMPFFCI-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
NC(=O)NNC(=O)COCC(F)(F)F	232351727	JZZJTCHTQYJYOS-UHFFFAOYSA-N	215.131	-0.735	50	10	BBGE	
COC(=O)[C@@H](Br)CNCCCN	234568901	ZHVMCCZISWSMFK-LURJTMIESA-N	239.113	-0.139	50	10	BBGE	
COc1cc(CO)ccc1O[C@H](C)C(=O)NN	234825184	HJSONUAPLFRSAI-SSDOTTSWSA-N	240.259	-0.055	50	10	BBGE	
CN1CCC[C@@H]([C@@H](N)C(=O)NN(C)C)C1	259064966	MWZPGWPVLSPUOH-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)N(C)[C@H](C)C1	300017148	AQDFDFUVEIHAKP-OPRDCNLKSA-N	244.339	-0.984	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(N)=O	300371284	DUBLMJKXNMYFFN-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	307558147	CRBDLRHDDJNTCF-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
COCCOCOc1cc(B(O)O)ccc1F	310148917	FFJOKOYLSSNPFE-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)B(O)O	310223512	NSYYAAGUDRGYOR-PSASIEDQSA-N	236.080	-0.927	50	10	BBGE	
CON=CC(=O)NNC(=O)CSC	379418668	WMAVTKXOMSCRPW-UHFFFAOYSA-N	205.239	-0.871	50	10	BBGE	
CCCS[C@@H]1CCN(C(=O)C(=O)NN)C1	382933454	KZCWEHRVSWZIJW-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@@]1(C)CN	389744065	WUHXUIMQVXHJGA-WCBMZHEXSA-N	214.313	-0.717	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCCNC(=O)C1	395619218	UCVNGNZDYVKZDO-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C(=O)NN)C(C)(C)C	396044082	URYRZTMJPYWSQY-VIFPVBQESA-N	244.339	-0.412	50	10	BBGE	
O=C(O)Cc1cccc2oc(B(O)O)nc12	396108122	BFZLPCCULXKIGD-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
N#Cc1c(B(O)O)ccc2c(CO)csc12	396217024	HVWRJHNWHWCOME-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N#Cc1ccc2sc(CO)c(B(O)O)c2c1	396227178	SOSCJVWYTDXFLH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ccc[nH]1	404985139	UJUQEJSIKGPHMR-UHFFFAOYSA-N	230.032	-0.053	50	10	BBGE	
O=C(/C=C\C1CC1)NNC(=O)c1cnn[nH]1	491946688	BWSZBTMWTMSJRW-ARJAWSKDSA-N	221.220	-0.468	50	10	BBGE	
CCOC(=O)[C@@H]1C[C@@H](Cl)NNC1=O	585662292	SCQUMHQVRQUAKX-UHNVWZDZSA-N	206.629	-0.245	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)CC(=O)NN	687459831	ANZIIQHKAHOWJH-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@](O)(CN1CCC(O)(C#N)CC1)C(=O)O	692167308	NBWWEWYLZAQLJD-SECBINFHSA-N	228.248	-0.828	50	10	BBGE	
COC1(CCn2ccc(B(O)O)n2)CCC1	694226395	COLFOWIXJYCVRW-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
OB(O)c1ccc(C2=N[C@@H](C3CC3)N=C2)cc1	725541090	KZDKOSUPDDPBEX-LBPRGKRZSA-N	228.060	-0.024	50	10	BBGE	
CN(C(=O)C1=NCN=C1)[C@H]1COC[C@H]1Cl	725690780	OMJKGJDIRPDVSX-SVRRBLITSA-N	229.667	-0.066	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1	814343852	YPHUGFUNSRFFNX-DJLDLDEBSA-N	242.275	-0.262	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)c1cc[nH]n1	814860882	LVOURWPSPRHXGR-VIFPVBQESA-N	238.247	-0.335	50	10	BBGE	
COCC(=O)NNC(=O)[C@H]1CCCS1	819653922	SNDGKGJNILRPNQ-ZCFIWIBFSA-N	218.278	-0.324	50	10	BBGE	
COC(=O)c1ccc(C)c(B(O)O)c1F	829427913	WNSGXBOUTBQPIW-UHFFFAOYSA-N	211.985	-0.399	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1n[nH]cc1F	909993947	RVKDUOUGACFLAC-UHFFFAOYSA-N	231.256	-0.370	50	10	BBGE	
Nc1ccnc(C(=O)NNC(=O)c2ncon2)c1	1179588121	CDAKOPJEAJBPDY-UHFFFAOYSA-N	248.202	-0.878	50	10	BBGE	
Cc1cc(=O)c(C(=O)NNC(=O)N(C)C)c[nH]1	1464550598	QGICQLZKNOIESB-UHFFFAOYSA-N	238.247	-0.401	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(O)CCOC2)CC1	1545861385	BFSHDCVCTUFHIZ-LLVKDONJSA-N	222.244	-0.180	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc(O)n1	1583197289	DKZAWCZPSLUGTP-UHFFFAOYSA-N	210.193	-0.639	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C	1598215752	ALKLJZRGODYOCV-RITPCOANSA-N	244.251	-0.778	50	10	BBGE	
O=C(NNc1ccncn1)c1n[nH]cc1[N+](=O)[O-]	1627966847	FDMMKYMBUVNMBD-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
COC[C@@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883565517	CGGTVXFJGUZZDE-FSDSQADBSA-N	206.673	-0.296	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@@H]1C[C@H]1Cl	1883645137	MBZKICOEGHAMLO-PHDIDXHHSA-N	204.657	-0.182	50	10	BBGE	
C[S@@](=O)CCNC(=O)/C=C/C(=O)Cl	1883649027	KDCJMXKXHSTWDK-YWVDXFKGSA-N	223.681	-0.197	50	10	BBGE	
C[C@H](SCC1CC(N)C1)C(=O)NN	1888108659	QATXIZCWGZZAQC-VTSJMVTISA-N	203.311	-0.165	50	10	BBGE	
NNC(=O)CCCN(CCF)CCF	1888751705	FOOPHWOKLHSPHS-UHFFFAOYSA-N	209.240	-0.003	50	10	BBGE	
O[C@H](CCl)CN1CCO[C@@H]2COC[C@H]21	1889523913	SEUCJIZKJQGFHD-IWSPIJDZSA-N	221.684	-0.314	50	10	BBGE	
O=C(NCC[C@H](O)CCO)[C@@H]1C[C@H]1Cl	1893419031	IEDPGGGCMXHIOE-XLPZGREQSA-N	221.684	-0.137	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCO[C@H](CO)C1	1893470939	YDHTVKQPQRHFIT-FXQIFTODSA-N	219.668	-0.167	50	10	BBGE	
COC[C@@H]1CC[C@H](CN(C)CC(=O)NN)C1	1895958567	MYWHONJJEXSYFI-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
Cn1nnc(CN[C@@H]2CCOC[C@@H]2CCl)n1	1896884646	HQYIRXJQOLEOAI-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	1900377745	ZXVSNEJFSZISAC-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
C=CCCN(C)C(=O)c1cnsc1B(O)O	1900466732	KFBMNRITRAXDMM-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cnsc1B(O)O	1900466759	KTXNTIPLLYJTLG-LURJTMIESA-N	240.093	-0.649	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@H]1CO	1900534631	QMXNJFXFDCQOMZ-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1(NC)CC1	1901339766	SUWNWFABDCGAHK-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CN(NC(=O)[C@H]1CCNC1)S(=O)(=O)C1CC1	1901340406	DKBZBRFUYQNDJX-ZETCQYMHSA-N	247.320	-0.949	50	10	BBGE	
CC[C@]1(C(=O)NN(C)S(C)(=O)=O)CCCN1	1901377344	NDZUEMCBKGTIJF-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@H]2CC(F)(F)CO2)C1	1902528273	FVVNEDBOVQOMMX-JGVFFNPUSA-N	235.039	-0.041	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)C1(C)C)C(=O)NN	1902705373	DDBXNCMFNCGNQP-KCJUWKMLSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](CO)C1)C(=O)NN	1902712316	CQYDWBQJOFVQAF-ONGXEEELSA-N	229.324	-0.293	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ncc(B(O)O)cn1)C2	1907072448	KLDJGAIDIDZOTF-GZMMTYOYSA-N	233.080	-0.607	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCCC[C@@H]21	1907073030	UHVKFQXXTHGUSO-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H](C)C(=O)NN)C[C@@H](C)O1	1912248868	YKEPIPXHKTXAHX-IWSPIJDZSA-N	243.307	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914010849	LXZSJVJLSDYGFQ-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NC(=O)NC(=O)CCl	1922127532	ATRPANATMABCCT-RNFRBKRXSA-N	249.698	-0.620	50	10	BBGE	
CC(C)(Cn1ccc(B(O)O)n1)C(F)F	1928109577	PDQUUWCFZSUIRI-UHFFFAOYSA-N	218.012	-0.146	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNCCO)[C@@H](C)O1	1929834168	WZIHNBYNQGRRBJ-PRJMDXOYSA-N	202.254	-0.587	50	10	BBGE	
C[C@H]1CCC[C@@H]1CS(=O)(=O)NCB(O)O	1930380025	CMLYLXNZGMQVAR-JGVFFNPUSA-N	235.114	-0.646	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CCO1	1931260389	LUVCLAVQFXFWHC-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
C[C@H]([C@@H](O)CO)N1C[C@@](C)(CCl)C1=O	1931725983	NRIRLYAPJGDJEX-BKPPORCPSA-N	221.684	-0.185	50	10	BBGE	
CCC[C@H](C)CN(C)C(=O)C(=O)NN	1932398786	HMSBKZFRGKIOIU-ZETCQYMHSA-N	201.270	-0.129	50	10	BBGE	
C[C@]1(CO)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936082172	CWALGVWOSNIOOC-NGZCFLSTSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936087740	FZBKQRQLHYDFJY-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094322	MDBYBFQXOQBXCD-SGIHWFKDSA-N	227.308	-0.685	50	10	BBGE	
CCOCCN(CC)C[C@@H]1C[C@H]1C(=O)NN	1936095364	WLISKCJRRNHVQP-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C)[C@@H](C)C(=O)NN	1937468481	WZOWVIPQOSFAHQ-BDAKNGLRSA-N	228.340	-0.363	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@@H]1C[C@@H]1C(=O)NN	1941085139	BUXZJFKCNXBBPY-IUCAKERBSA-N	242.323	-0.944	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N(CCOCC(=O)NN)C1	1941779813	IERRHWADPSKAJN-RKDXNWHRSA-N	243.307	-0.503	50	10	BBGE	
CC1(C)C[C@H](CO)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1945906041	RKYDOZJYHLZIFL-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CC=CCO2)C1	1946041393	HKXMVNWWRKZWJS-SECBINFHSA-N	241.291	-0.978	50	10	BBGE	
COCC[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1	1951321831	IQGBNSBGIAVMNE-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@H](N)CCS(C)(=O)=O	1954339868	FDNIVIWBUNTQES-RITPCOANSA-N	227.713	-0.055	50	10	BBGE	
C[C@H]1CN(C[C@@H](O)CCl)CC(=O)N1C	1956260030	DJAPBNGJWBQLFA-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
C[C@H](O[C@@H]1COC(C)(C)C1)C(=O)NN	1956934260	CQDFNMCVWSOCNZ-BQBZGAKWSA-N	202.254	-0.051	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@H]2C[C@@H]21	1960967093	PSAKHUXXOSDQGV-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
OB(O)c1csc(N(C2CC2)C2CC2)n1	1961718872	VGQWTERHRPCYRU-UHFFFAOYSA-N	224.094	-0.046	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CCC(=O)NC1=O	1962393731	QVKUAAONXDMLMP-PHDIDXHHSA-N	232.667	-0.075	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1979479691	JENCGBRARXGJTR-ABKXIKBNSA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CC[C@H]32)nc1	1981413266	DNYNIGIVWJWPAX-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
CCN(c1ncnc(C)c1B(O)O)C1CC1	1981445431	IMGHLMXEWOHUFF-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
C=C(CCl)CN1CCN(C[C@@H](O)CO)CC1	1983984800	SLVYBDQYFQKLDI-LLVKDONJSA-N	248.754	-0.248	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986732889	WJBXEHRISJSSKF-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCn1ccc(B(O)O)n1	1987334948	GTNFLRRFCUFLTG-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCn1ccc(B(O)O)n1	1987334949	GTNFLRRFCUFLTG-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
O=C(F)N1CCc2ccc(B(O)O)cc2C1	1987563717	AYDGMUPFMHLNOW-UHFFFAOYSA-N	223.012	-0.186	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1COCCOC1	1987695007	IBOWXKCEJSVRAQ-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
COCCC1CN(CC(=O)NNC(C)=O)C1	1990775479	WDUMEZAZKWFVST-UHFFFAOYSA-N	229.280	-0.878	50	10	BBGE	
C[C@H](CCC(=O)NN)SCCOC1CNC1	1993411001	NOKUFCUNLSNOOA-MRVPVSSYSA-N	247.364	-0.133	50	10	BBGE	
CCN1CCN([C@@H](C(=O)NN)C(C)C)CC1=O	1996755544	FMIVFCHYDPSFEB-SNVBAGLBSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC=C[C@@H](O)C1	2000933671	IAXFUAPULJYZAW-MRVPVSSYSA-N	237.259	-0.384	50	10	BBGE	
C[C@H]1CCN(Cc2nn(C)cc2C(=O)NN)C1	2003505692	GLIJINUNYKIQFY-QMMMGPOBSA-N	237.307	-0.135	50	10	BBGE	
CO[C@@H]1CCN(c2nc(C)ccc2B(O)O)C1	2005015360	ZJOITXOXZDOCIP-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C(C)C)C2)n1	2005015727	DXSPUVFLTLLLPL-UHFFFAOYSA-N	235.096	-0.443	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]3C2)c(B(O)O)c1	2005016380	OJWYLTMHVIBUGA-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@]1(C)CCOC1	2006839380	BWHZRWZVUHEEPU-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N(C)[C@@H](C)C(F)F)ncc1B(O)O	2009011885	HZXLPARYWASRMM-LURJTMIESA-N	245.038	-0.445	50	10	BBGE	
N#CC1(O)CCN(c2cnnc(NN)n2)CC1	2012437603	OWOXLGBXIQITGL-UHFFFAOYSA-N	235.251	-0.988	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@H]2CCO[C@@H]12	2019209858	LZGWFWWTDBTNIH-FXPVBKGRSA-N	241.291	-0.880	50	10	BBGE	
OB(O)c1csc(O[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)n1	2026818348	HVSIFGIMNRIWIG-KMWCYUCDSA-N	249.100	-0.288	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1ncncc1B(O)O)C2	2026850617	XVPIAROCHWFMTE-KCJUWKMLSA-N	233.080	-0.607	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2CCO[C@H]2C1	2052625344	LJDXWLYINQFDIO-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CN(C)CCC1CN(c2ccc(B(O)O)cn2)C1	2056602087	ZINDWOBPHFQNDF-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1	2079009709	KNLGVSYBGKMMCS-SNVBAGLBSA-N	245.087	-0.244	50	10	BBGE	
CN1CC2(CCN2S(=O)(=O)CCCl)C1	2210000814	IUHYYPRTGANYTG-UHFFFAOYSA-N	238.740	-0.055	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2c[nH]nc12	2212366105	DLNMHZURNOZQSY-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)C2)CCCC1	2212445029	UBALTBQAMMDIBQ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H](CN)CCOc1ncccc1B(O)O	2212605248	ANZRAMOAPOTEDM-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
C[C@H](N)CCOc1nccc(B(O)O)c1F	2212605514	GEBUIUOZUDGUOS-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC2(F)F)c1F	2212609200	OCJLMTIRZZIRGH-RXMQYKEDSA-N	232.954	-0.313	50	10	BBGE	
CCC1(F)CN(c2cc(B(O)O)ccn2)C1	2212612357	KGOZYRKEGHXCIN-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H](CF)C1	2212612791	OMVBYIVEHIUZTM-ZKCHVHJHSA-N	224.044	-0.079	50	10	BBGE	
C[C@@H](CN(C)c1cccn(C)c1=O)C(=O)NN	2213163683	AHSKWNWREDECFO-QMMMGPOBSA-N	238.291	-0.553	50	10	BBGE	
NC[C@@H](COc1ncccc1B(O)O)C1CC1	2217164794	DITVLGUCUDXHJO-VIFPVBQESA-N	236.080	-0.875	50	10	BBGE	
C=CCC1(Oc2ncccc2B(O)O)CNC1	2217171935	HBOKIXOHHNTRGE-UHFFFAOYSA-N	234.064	-0.942	50	10	BBGE	
CC(C)(Nc1ncc(B(O)O)cn1)C(F)(F)F	2217175856	OGHAVCIAZRVGLX-UHFFFAOYSA-N	249.001	-0.091	50	10	BBGE	
CC(C)[C@@H](CCO)Nc1ccc(B(O)O)cn1	2217179595	NBEJRIZKAUAJDQ-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cnc(=NCCCC2CCC2)[nH]c1	2217196970	JUPAVGUUIXSIGZ-UHFFFAOYSA-N	235.096	-0.430	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1C[C@H]2CC[C@H]1C2	2217357814	IAMHFLPAZRORJA-NRPADANISA-N	234.064	-0.276	50	10	BBGE	
OB(O)c1ccnc(-n2cc(C3CC3)cn2)c1F	2223610567	PDWGGUIGLZFMRA-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
NCC[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223633785	BAWXOEILRRRJCB-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N2C[C@H](C)NC[C@@H]2C)cc1B(O)O	2223649022	SMRJBCNPVHRJRP-UWVGGRQHSA-N	249.123	-0.744	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2223668183	VLLQTEKAAMHFND-QWRGUYRKSA-N	249.123	-0.344	50	10	BBGE	
NCC[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223678086	WWMWXJWZGLTCQO-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
Cc1cc(=NC(=O)C2(B(O)O)CCC2)[nH]o1	2243348462	XYLATXKHLXJIBO-UHFFFAOYSA-N	224.025	-0.259	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCC2CC1C2	2243361916	JBHCSDDPZDDKCM-RTBKNWGFSA-N	221.065	-0.351	50	10	BBGE	
Cc1cccc(C(=O)N2CCC2)c1B(O)O	2243366719	HXNQXOOOBILHCV-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
N#CCNC(=O)c1cc(Cl)ccc1B(O)O	2243366993	LVQWFJBHDNJJJR-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
Cc1cc(C(=O)NCC2CC2)oc1B(O)O	2243377972	KJQBNKOAIWYCOZ-UHFFFAOYSA-N	223.037	-0.592	50	10	BBGE	
O=C(NC1CCOCC1)[C@H]1C[C@@H](B(O)O)C1	2243382227	LZPGLRRFRVRKSB-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1sncc1B(O)O	2243385454	JCJCOVBFPQUVBX-LURJTMIESA-N	238.077	-0.895	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2243395882	DJXMTPWEVMSIMB-IUCAKERBSA-N	229.085	-0.267	50	10	BBGE	
CSC[C@](C)(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243396733	QAVVKOPDWRAUKF-LKEWCRSYSA-N	247.125	-0.921	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427016	OXXPNUSOLUZCBX-KZVJFYERSA-N	226.085	-0.955	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243427640	YJJIPXBHSFKJSS-XSPKLOCKSA-N	226.085	-0.907	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2243753403	UQURWNFPLHQHCO-KPGICGJXSA-N	229.041	-0.781	50	10	BBGE	
CSCCN(C)C(=O)c1cc(B(O)O)co1	2244211220	IKAVJJDGYMXAES-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSCC2COC2)O1	2244506220	VIZKZAXSLBXYNO-RKDXNWHRSA-N	246.332	-0.097	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)[C@@H]1C	2247736075	SEGKFFJSQXTBJL-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)C#CB(O)O)C12CCC2	2247742106	KSOXAWQIFZWSMD-DTWKUNHWSA-N	237.064	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	2247747501	OKEDUFIVVKJYLV-XWLWVQCSSA-N	231.060	-0.718	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC=CC2)n1	2247753524	AEXKFXSVAWWNQI-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
CN(C)[C@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247758804	WZNYINGQBDSVOD-SNVBAGLBSA-N	240.112	-0.454	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)C(F)F	2247762123	ZVXXTTSSBWMRBS-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC=C(F)C1	2247769733	LICNYQURWSMMBK-UHFFFAOYSA-N	236.011	-0.929	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1cc(B(O)O)n[nH]1	2247783948	NHOASJZLRSSMAO-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
CNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791191	LIZKJVOLIFVHTO-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)CO1	2247804906	IRXMHOXVYIZHBU-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccn(C)n1	2247810185	VLYROKZKMHGUGK-XLPZGREQSA-N	237.068	-0.540	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1cccc(O)c1	2247847951	DYGVTPVJLYMWKE-MRVPVSSYSA-N	233.032	-0.415	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CCO1	2247849465	AEAVIWSQJSWWHS-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2247878448	JWORQVRHXQQMOB-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(C)[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247887036	JJXYCYNGBZNGAA-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC2(COC2)C1	2247887907	TVPUABJUMGRMAS-BDAKNGLRSA-N	239.080	-0.513	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247888405	ZEDHASDSVSPPBJ-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)[C@H]1C[C@H](B(O)O)C1	2247895471	SXNCTIMNGTVLIP-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895860	BVJRPOPRXXUPII-BBBLOLIVSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCCC[C@H]21)[C@@H]1C[C@H]1B(O)O	2247899718	PRRKGYPCUUWCNN-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC=CC1	2248032067	KBYZAHZESBCBCF-UHFFFAOYSA-N	233.032	-0.916	50	10	BBGE	
Cc1ccc(NC(=O)[C@H](C)CO)cc1B(O)O	2248441303	LCBJDHNYDJUMLA-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@H]2C=CCOC2)O1	2249279264	QXWMXCHFAONEAR-AEJSXWLSSA-N	242.275	-0.505	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1CC[C@H]2C[C@@H]21	2255466900	GEFDDECHYBYPFB-XHNCKOQMSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccncc1NC(=O)c1ccc(B(O)O)o1	2255467999	UWOWZYKVSKDXBE-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccc(B(O)O)cn1	2255517869	XZYYPRKOIAXXLK-JTQLQIEISA-N	246.075	-0.707	50	10	BBGE	
CC(C)(NC(=O)c1ncncc1B(O)O)C1CC1	2255520361	JTNKUTVBPJGNNN-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
O=C(NC[C@@H]1C=CCCC1)c1cc(B(O)O)n[nH]1	2255547216	DDFANQAUIJFFAP-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)oc1B(O)O	2255580245	ZVFZPKQBQAHYFB-AYMMMOKOSA-N	249.075	-0.204	50	10	BBGE	
C=C(C)CONC(=O)c1cccc(B(O)O)c1C	2255719136	HXTLXMZQXRDYNA-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@H]3C[C@@H]32)c1	2255736109	GUBDWYJHXGSPAK-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2O)[C@@H]1C	2256013221	DEHQPTWKSLIKCV-JGVFFNPUSA-N	249.075	-0.448	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(C2CCC2)C1	2258124753	HTBQHSAJVUOIRW-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2258130535	IIKXFEHHBXUHLI-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
CNC(=O)c1nc(CNC(=O)[C@H](C)Cl)no1	2296572567	ORKRPUNMGWWHMI-BYPYZUCNSA-N	246.654	-0.327	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164793	IOTFXLTWAFQKFE-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@H]1CCO[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298371171	BNPVCIUCHBTBML-IMSYWVGJSA-N	239.080	-0.467	50	10	BBGE	
COC[C@@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)OC	2298376859	SZASXBSBZRUWAB-IWSPIJDZSA-N	245.084	-0.983	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCC[C@@H]1CO	2300362692	FMUPJTKIBWZSGR-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
C[C@H](N)CCNc1ccc(B(O)O)cc1C#N	2301341286	NLURHMOZEZUGCV-QMMMGPOBSA-N	233.080	-0.613	50	10	BBGE	
C[C@@H](COC[C@H](C)N1CCOCC1)C(=O)NN	2301604417	CLEDXXXRKVGJTJ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CC(C)=C(CN1C[C@H]2OCCO[C@@H]2C1)B(O)O	2301851370	XHPQONKBVNARTD-GHMZBOCLSA-N	241.096	-0.566	50	10	BBGE	
OB(O)[C@H]1CCN(CCOC[C@H]2CCCO2)C1	2303122572	FDLAVAUUPBHLRW-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
CCCNC(=O)CCN1CC[C@@](C)(B(O)O)C1	2303155635	BUCHAELYSAJMOC-LLVKDONJSA-N	242.128	-0.159	50	10	BBGE	
OB(O)c1cc(N[C@H]2COC[C@H]2F)ncc1F	2303835259	UAASTTBTBIVUDT-SFYZADRCSA-N	244.006	-0.951	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1cc(B(O)O)c(F)cn1	2303835836	CXHFYXZPUFRFOA-BQBZGAKWSA-N	242.034	-0.163	50	10	BBGE	
CC(C)[C@H](N)COc1ccc(B(O)O)cc1C#N	2317211021	HJPMUFHRUHSPEA-LLVKDONJSA-N	248.091	-0.400	50	10	BBGE	
C[C@H]1C[C@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317310424	ACDXTMACIYRXHO-KWQFWETISA-N	249.075	-0.862	50	10	BBGE	
CC#CCC(=O)Nc1ccc(OC)c(B(O)O)c1	2317465157	ZCPUYXNYMOJPFI-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2c1ncccc1B(O)O	2318350214	JRPCHLQJAVPZPL-NGZCFLSTSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)ncc1F	2320782000	QPJZHSQNFTXBIE-CIOUSYIGSA-N	248.066	-0.255	50	10	BBGE	
O=C(O)CCC(=O)NNC(=O)c1cccnc1	1692987	SAMUNLNIROMNHB-UHFFFAOYSA-N	237.215	-0.293	50	10	BBGE	
C[C@H](NC(=O)CBr)C(N)=O	82506445	ULKSMHRSQATFHF-VKHMYHEASA-N	209.043	-0.629	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CC(=O)N(C)C1=O	84083818	KCEJVAOEGPWBMO-RITPCOANSA-N	232.667	-0.265	50	10	BBGE	
CS(=O)(=O)CCN1CCO[C@H](CCl)C1	88095223	HOEHYJZDNYCLLI-MRVPVSSYSA-N	241.740	-0.029	50	10	BBGE	
C[C@H](CN1C[C@H]2CCCN2C[C@H]1C)C(=O)NN	94468132	VZFPGRLPOZSSRT-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CCNCC1	110587958	GSMTWXCWCXGPJF-LLVKDONJSA-N	234.303	-0.377	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@@H](C)N1C	127926011	GHCWEUOPZUPKIP-OCAPTIKFSA-N	200.286	-0.999	50	10	BBGE	
CN1CCC[C@H]2CN(CCC(=O)NN)CC[C@@H]21	166898126	WAKPUODVXBYBDZ-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
NC[C@H](Br)P(=O)(O)O	196113548	NLMVXUYWNBDBAP-UWTATZPHSA-N	203.960	-0.156	50	10	BBGE	
COC(=O)[C@@H]1CCN(c2cccc(B(O)O)c2)C1	202760321	LTRNLWJXONFVIP-SECBINFHSA-N	249.075	-0.634	50	10	BBGE	
CC[C@@H](O)[C@@](N)(CCCCB(O)O)C(=O)O	218631455	FGSQEVXVYSPNEA-APPZFPTMSA-N	233.073	-0.818	50	10	BBGE	
NNC(=O)C(=O)NCCSC(F)(F)F	231964875	SIYMUUAABDOKTA-UHFFFAOYSA-N	231.199	-0.655	50	10	BBGE	
CC[C@H]1CN(C)CCCN1[C@@H](C)C(=O)NN	234114036	CHDWZPRIKJRKSC-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@](C)(O)C1	253084186	YNVSZUAOPVKODL-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CO[C@H]1CCCN([C@H](C)C(=O)NN)C1	299972629	MMDHJCCDCNCBAX-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CSCC(=O)N(C)C)C(=O)NN	300805634	GIBOLEYVOIKZOQ-LURJTMIESA-N	219.310	-0.566	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C[C@@H](C)C(=O)NN	304620800	XMMVRFAMYZLTQQ-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCCNS1(=O)=O	306191882	GWQOKBCZAQKAIY-RXMQYKEDSA-N	242.684	-0.782	50	10	BBGE	
NC(=S)NNC(=O)Nc1cn[nH]c1	306591020	PUIDTCOPXTWEDH-UHFFFAOYSA-N	200.227	-0.721	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@@](O)(CF)[C@@H]1O	307224871	CAAAXHGJVWQXJB-KCDKBNATSA-N	200.593	-0.996	50	10	BBGE	
CCOCCCNCC(=O)NNC(C)=O	309049890	QKBAWXLDQPIGCF-UHFFFAOYSA-N	217.269	-0.830	50	10	BBGE	
C[C@H](CN(C)[C@H]1CN2CCC1CC2)C(=O)NN	310111830	RMYNPDHEKKUDDI-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](Cl)C(=O)NCC(C)(CO)CO	393896236	MTZMUXHWMGXQIM-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
CC(C)(CCn1cnccc1=O)C(=O)NN	395628058	DIMSCKGQHDYUNY-UHFFFAOYSA-N	224.264	-0.351	50	10	BBGE	
O=C(CCCl)c1cccc(B(O)O)c1O	396022913	NUCCXQVWWXYIRZ-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
O=C(O)CCc1ccc(S)c(B(O)O)c1	396028373	TXLKZAMDYYZEPP-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
N#Cc1ccc(CCC=O)cc1B(O)O	396094881	KMGDUJUTJPNPPV-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#Cc1cccc(B(O)O)c1CCC(=O)O	396110268	PCGDKBWACQFPBM-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	404935843	DHFGTLCVZMDHTJ-MRVPVSSYSA-N	234.064	-0.254	50	10	BBGE	
Cn1ncc(CN2CCC(O)(C#N)CC2)n1	686021440	WTYZBGWANQXVTL-UHFFFAOYSA-N	221.264	-0.334	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@@H](C)C(=O)NN	688638281	HKEOOABHMIOPSV-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CCN(CCN(C)C)[C@H](C(=O)NN)C(C)C	688913210	XKAKHXSMAUGOSH-JTQLQIEISA-N	230.356	-0.116	50	10	BBGE	
OB(O)c1cnn(Cc2cncs2)c1	689663011	OUOUOCIDJUGARL-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
COC(=O)N(C)CCN(C)C[C@@H](C)C(=O)NN	690813972	BFBKBDMPJHWNBK-MRVPVSSYSA-N	246.311	-0.758	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C(=O)OCCl	692862573	BQCHEQPIEWKHBI-YFKPBYRVSA-N	222.628	-0.495	50	10	BBGE	
CC1CCC(S(=O)(=O)NCB(O)O)CC1	701951624	RDWPKQFRNWVJOI-UHFFFAOYSA-N	235.114	-0.504	50	10	BBGE	
CNC(=O)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703468767	FOHOZHGSXMUJEC-ACZMJKKPSA-N	226.232	-0.963	50	10	BBGE	
COCCCOCC(=O)NNC(=O)NC(C)C	775680494	DOYNEOHKKSUDMT-UHFFFAOYSA-N	247.295	-0.222	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC(F)(F)CN	846677716	RQBQITDHFGYABQ-UHFFFAOYSA-N	238.238	-0.337	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)Cc1ccccc1O	855759814	IRLWRHUWHSFAIG-SSDOTTSWSA-N	238.243	-0.537	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CO[C@@H](C)C2)n1C	856047026	VXUZBNLXWQOLMW-POYBYMJQSA-N	239.279	-0.008	50	10	BBGE	
C=C(C)C[C@H](CO)NCc1ccccc1B(O)O	895713483	PFOLGJBOSVMWEY-GFCCVEGCSA-N	249.119	-0.217	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ccccn1	901337813	CDPONUKVRGWEKP-MRVPVSSYSA-N	225.248	-0.344	50	10	BBGE	
Cc1nonc1C(=O)NNc1nnc(C)n1C	1118883625	CDKSNIHPIPCSOL-UHFFFAOYSA-N	237.223	-0.428	50	10	BBGE	
CO[C@H]1COCC[C@H]1CC(=O)NNC(C)=O	1136043442	CZNHWSKUNCOYKD-IUCAKERBSA-N	230.264	-0.405	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1nnc(C2CC2)o1	1136448349	CAXOXOVAZFVUSM-UHFFFAOYSA-N	239.235	-0.137	50	10	BBGE	
Cn1c(C(=O)NN=c2cc[nH]cc2)cnc1O	1138147455	OGKUXJFXEPPEOG-UHFFFAOYSA-N	233.231	-0.301	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C1=C[S@](=O)CCC1	1163323860	WELDZGCKZQPYFN-VPTHRUTESA-N	246.332	-0.243	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCN1CC[C@@H](F)C1	1292257998	KVAOFHVAUVBEFB-MRVPVSSYSA-N	246.286	-0.277	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)NC(C)C	1464572192	FRNZRQCHRHOVEP-MRVPVSSYSA-N	228.296	-0.181	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)NCC1CC1	1543991106	GLQRSJAYMQEFTQ-HTQZYQBOSA-N	222.248	-0.114	50	10	BBGE	
C=CC(=O)NCCNC(=O)/C(C#N)=C/OCC	1565593198	DVVVULBBUGLPMW-CMDGGOBGSA-N	237.259	-0.151	50	10	BBGE	
OC[C@@H]1[C@@H](O)[C@@H](O)CN1CCCCCl	1877832778	MWLSXHCEGXPPOG-HRDYMLBCSA-N	223.700	-0.596	50	10	BBGE	
CN(N)C(=O)[C@H](O)CNC(=O)OC(C)(C)C	1879957474	BYQLRTPYJUILTA-ZCFIWIBFSA-N	233.268	-0.796	50	10	BBGE	
C#C[C@H](CCl)NC(=O)CS(C)(=O)=O	1881931238	AQEKAILJZMPFNH-ZCFIWIBFSA-N	223.681	-0.612	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2Cl)C(=O)CN1	1883552658	NSNBEDHAOGXCLR-PHDIDXHHSA-N	202.641	-0.428	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1883645323	NPQHBQNCPCVZDR-YUPRTTJUSA-N	206.629	-0.858	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@@H](O)[C@@H]1CF	1884172972	QBVLHBSECGXLSW-VPLCAKHXSA-N	211.620	-0.873	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2CS(=O)(=O)[C@H]2C1	1887071818	KCMZTAYBOLSEOC-XVMARJQXSA-N	237.708	-0.131	50	10	BBGE	
COC(=O)[C@@H](N)C[S@](=O)C[C@H]1C[C@H]1Cl	1893117499	AZBJDFGTSQATQS-DFTMWJBYSA-N	239.724	-0.137	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)[C@@H]1C[C@@H]1Cl	1893474812	NIFAMYTVLJWGGC-FJXKBIBVSA-N	221.684	-0.137	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@@H]2CC[C@@H]21	1895003608	MNLMJUAEAHRYME-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)CO1	1898344140	XANDFXGSQRHNSO-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CC(O)C[C@@H](C2)C1	1901047088	CSNSKDSOYPRLGD-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CN(NC(=O)c1ccncc1F)S(C)(=O)=O	1901345337	CUVSIPPKFWGBDH-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
CCCNC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	1902505915	MVVFNJZTUGPTOG-RKDXNWHRSA-N	228.101	-0.550	50	10	BBGE	
OB(O)c1cc(N2CCCCO2)ncc1F	1903005300	FNUDLKUMEYPSSH-UHFFFAOYSA-N	226.016	-0.568	50	10	BBGE	
CC(C)CCN=c1cc(B(O)O)c(F)c[nH]1	1903005508	HUOSLWHCBCLVOC-UHFFFAOYSA-N	226.060	-0.220	50	10	BBGE	
CCN(CC)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	1906944310	ZDNZHVDADPWQRR-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1907855882	PMKDNZFZTLQOJD-MMWGEVLESA-N	241.335	-0.154	50	10	BBGE	
CN1CCNC[C@H]1C(=O)NC1CC(Cl)C1	1909250079	HNAHLNPUYNZWFV-HACHORDNSA-N	231.727	-0.224	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2C[C@H]3C[C@H]3C2)O1	1909808943	QZMCBQAFPZKUDP-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)O1	1927915881	AJDXBTXLJKHTKZ-DSYKOEDSSA-N	213.237	-0.547	50	10	BBGE	
C[C@]1(C2CC2)COCCN1CC(=O)NN	1927935100	VNKRXQSPSLEEJO-SNVBAGLBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCCC[C@@H]2C1=O	1928024662	PWDKSPTWPGZZTN-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
CC[C@H](C)CN(C)CCOCC(=O)NN	1928182642	DFCYAHMRNPAUCH-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C)[C@H]1CO	1929739855	BLMJFSWAAFLHJQ-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
COCc1cc(CNC(=O)NN)on1	1932349736	FMRYUCBNWQNEKR-UHFFFAOYSA-N	200.198	-0.506	50	10	BBGE	
Cn1ncnc1[C@H]1CS(=O)(=O)C[C@@H]1Cl	1934428703	UYDUQKSBRKFUBC-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CC(=O)NN)C1(C)C	1934924648	YXHWGDCJQNPNPO-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[S@](=O)CC1	1936093840	HZRIMARKASLYKU-LGZSNQIQSA-N	245.348	-0.933	50	10	BBGE	
N#C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094221	LKGOLPOSOYXZPS-GUBZILKMSA-N	222.292	-0.152	50	10	BBGE	
Cn1nc(C(=O)NNC(N)=O)cc1C(F)F	1936172120	BGHXOFQYQSYRKP-UHFFFAOYSA-N	233.178	-0.329	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CCCCC(=O)NN	1939641102	LLMBUXGSOJINCI-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941073611	MJWJAXHLQTWUAN-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CN(C)C(=O)O[C@@H]1CCCN(CC(=O)NN)C1	1942662839	OGLBPAZXGAWIIN-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)C2(CC2)C1	1944603386	CTYSBBBQDJRIIL-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CCC1CC(=O)N(CCCC(=O)NN)C(=O)C1	1946647242	CUVCLKQFEQJTIF-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@H](O)[C@H]1CC2)C(=O)NN	1948487468	WJWLLXRNLGUMCV-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
CCCN(C)c1nc(B(O)O)cs1	1954093669	OEFLHWHCEGUGPF-UHFFFAOYSA-N	200.072	-0.331	50	10	BBGE	
NNC(=O)CCSc1ncncc1N	1955177606	OQAVIUMBDZCAEC-UHFFFAOYSA-N	213.266	-0.469	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(CF)C1	1955351679	QQRAXCUXMCXRSE-SFYZADRCSA-N	201.245	-0.486	50	10	BBGE	
CN1CC[C@@H](N(C)C[C@H](O)CCl)C1=O	1956256379	NGSYMHTYOUKPSK-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
CN(C(=O)CCCl)[C@@H]1CC(=O)NC1=O	1956858759	QADTWOLNTDVUBP-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](O)CCl)[C@@H]2COC[C@H]12	1958122891	QNPNPPQZEKHJOB-AXTSPUMRSA-N	235.711	-0.068	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@@H](C)CCl)C1	1958917063	FWORQARPDGLXAF-LURJTMIESA-N	234.683	-0.426	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC[C@@H]1O	1958982328	MGVIKJRLVINBIH-XUTVFYLZSA-N	211.217	-0.574	50	10	BBGE	
CON(CCCC(=O)NN)[C@@H]1CCOC1	1960123299	BWKZNGKJDBJEQL-MRVPVSSYSA-N	217.269	-0.591	50	10	BBGE	
Cc1ncnc(O[C@H]2C[C@H]2C)c1B(O)O	1961687027	IMNAYXADTBAYIT-VDTYLAMSSA-N	208.026	-0.748	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)C(C)C	1961692544	UJXRURXVFBZSAW-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(C)COC[C@H]12	1976539854	LEGMJRUZLAXXCD-YWVKMMECSA-N	227.308	-0.134	50	10	BBGE	
CN(CCC(=O)NN)C1CCC(CO)CC1	1981031032	VWSPFOTXOFZDSD-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@H](CF)C1	1981247748	IGJVSTARQGZOLD-BDAKNGLRSA-N	233.287	-0.329	50	10	BBGE	
OB(O)c1cncnc1Sc1cnccn1	1981454364	ICGRXBPIXBQKSK-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
Cc1cnc(N2CC[C@H](C)C2)c(B(O)O)c1	1981468609	FKNARSBYUREFLU-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCOC2)ccc1F	1981500717	PLVOPSWWAOQMRS-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
CN(CCC(=O)NN)[C@@H](CCO)C(F)(F)F	1984132198	OAALFQKEPNFPLG-LURJTMIESA-N	243.229	-0.389	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3C[C@H]3CO2)CC(=O)O1	1984431520	HYNAZTBVCSSGOZ-VGMNWLOBSA-N	225.244	-0.203	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCOCC(=O)NN)CS1	1988352187	UPJLWCSQWROFEM-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CCc1cc(CN(C)CC(=O)NN)n(C)n1	1989607257	OGBLDDMWYHLPBV-UHFFFAOYSA-N	225.296	-0.596	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@]1(CO)CCCNC1	1991663578	VYTACHNWWKIPTA-JTQLQIEISA-N	246.694	-0.461	50	10	BBGE	
O=C(NCC#CB(O)O)Nc1ccccc1	1992144190	ZDQDPTBEMKXIIQ-UHFFFAOYSA-N	218.021	-0.177	50	10	BBGE	
C=C(CN1CCOCC[C@H]1COC)B(O)O	1992160572	YHHJTBTVTQUNHR-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
CC1(C)[C@@H](O)CN1CCCCCC(=O)NN	1993463825	IOHHSLCUIWWPFF-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CN(Cc1ccncc1F)C(=O)C(=O)NN	1993965834	WXBBBXQEOXZTGD-UHFFFAOYSA-N	226.211	-0.831	50	10	BBGE	
O=C(C[C@H]1C=CCC1)N[C@@H](CB(O)O)C(=O)O	1998126494	SYIXUQLWSHLJRZ-YUMQZZPRSA-N	241.052	-0.615	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2CC[C@H](O)C[C@@H]21	2001965948	DTBSFBCNZFHCJT-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@]1(C)CO	2003268014	LWZWAYKDZGQJAR-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CCCNC1=O	2004248524	XTKLUZYCXANNDJ-YIZRAAEISA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]1C1CC1	2004916181	ITWPHPIMSYKPFP-JTQLQIEISA-N	233.080	-0.465	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2c1ncncc1B(O)O	2004921641	YFLJMIBUMGLVCW-KCJUWKMLSA-N	233.080	-0.465	50	10	BBGE	
Cc1ncnc(N(C)C2CC(C)C2)c1B(O)O	2004975191	VLHMRNFWKFUROB-UHFFFAOYSA-N	235.096	-0.300	50	10	BBGE	
Cc1ccnc(Sc2cnn(C)c2)c1B(O)O	2004991890	WSXHJDCPIBCOOK-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
Cc1cn(-c2nccc(C)c2B(O)O)c(C)n1	2005008424	XNRDAIPPMDYEIW-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)CCn1cc(C(=O)NN)nn1	2005109469	BWJLDVASDOCLLP-CBAPKCEASA-N	238.295	-0.778	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C[C@@H](C)F)CC1	2015816965	PEFHSCJQUJZRIP-ZJUUUORDSA-N	246.330	-0.270	50	10	BBGE	
CO[C@H]1CN(CC(=O)NNC(C)=O)CC12CC2	2019214452	YQHJEZBIEIRYTQ-VIFPVBQESA-N	241.291	-0.736	50	10	BBGE	
C[C@@H](NC(=O)c1ccccc1B(O)O)C1CC1	2022196041	FVNADPCLZBAQKO-MRVPVSSYSA-N	233.076	-0.105	50	10	BBGE	
NNC(=O)c1cncc(Cn2ccccc2=O)c1	2027474556	JVTWJZGLIGRNRI-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc(C2CC2)cc1=O	2028052292	PIBDQCBPRJVECH-BDAKNGLRSA-N	248.286	-0.253	50	10	BBGE	
O=C1OC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]12)[C@@H]1C(=O)OC(=O)[C@@H]31	2042456289	XLOGCGOPKPCECW-ZDJZFTHGSA-N	248.190	-0.566	50	10	BBGE	
O=C(CN1CC=C[C@H](O)C1)NNc1ccccn1	2046507640	WVFSFQBIPZFMHD-JTQLQIEISA-N	248.286	-0.243	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)c1ccc(B(O)O)cn1	2052468044	YMPWQUPPSDCDOO-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
CN(CC1CC2(CC2)C1)c1ncncc1B(O)O	2052473297	VSSVGZXOPYIRML-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
C[C@@H]1OCC[C@@H]1NC(=O)c1ccccc1B(O)O	2079010686	SDUWFYRTBAFWNX-KWQFWETISA-N	249.075	-0.726	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@H]2C2CC2)c1B(O)O	2079937635	YUQHYTDQUDTXPP-ZJUUUORDSA-N	248.091	-0.110	50	10	BBGE	
CS(=O)(=O)CC(=O)NCC#CCCCl	2209508143	ZRCRIEUPXCKGRF-UHFFFAOYSA-N	237.708	-0.221	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O	2210148115	ZQUQHLGCXFJVRB-BRDIYROLSA-N	247.678	-0.302	50	10	BBGE	
CN1CC(N(C)Cc2cc(B(O)O)cs2)C1	2211077222	BFOLORNEJSKQQD-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
COC1(C)CN(Cc2cc(B(O)O)cs2)C1	2211079366	UNHBFZOBSKDHBF-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cccc(B(O)O)c1	2211131732	BUYYXJQGZUQYNK-SECBINFHSA-N	223.081	-0.821	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cccc(B(O)O)c1	2211139144	BUYYXJQGZUQYNK-SECBINFHSA-N	223.081	-0.821	50	10	BBGE	
CC[C@](C)(CO)Nc1cc(B(O)O)ccn1	2212603958	SOKDNEZTJSEOMM-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CC=CC1	2212612052	HQKHDXNWTOOOPM-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
CC=CC=CC(=O)Nc1ncc(B(O)O)cn1	2214654127	PYMWRXAHKQBTLY-UHFFFAOYSA-N	233.036	-0.773	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)c1cnn(C)c1	2215770196	ALARVHTWQGDRNR-SCZZXKLOSA-N	237.307	-0.128	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2COCC[C@@H]21	2215775735	IRSFCFWPKGDDPH-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
CC(C)[C@@H](OC[C@@]1(C)COCCO1)C(=O)NN	2216072972	KNLAVVBSPUMTIV-MWLCHTKSSA-N	246.307	-0.177	50	10	BBGE	
CC[C@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2217172725	LYHZXLWYFRWOLJ-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@H]1CC1(F)F	2217173726	TYWCTDQXSPVLSX-CAHLUQPWSA-N	243.022	-0.388	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccco1	2217176762	ABMOXUJHPRHOJG-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
Cc1nc[nH]c1CNc1ncccc1B(O)O	2217176939	CEQWTWFODJJCRH-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
CCC1(N)CC(Oc2ncccc2B(O)O)C1	2217180103	FJCKSNFJKQHYRA-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H]2C2CC2)[nH]c1	2217201685	FFPBGRUWWGBEPY-MWLCHTKSSA-N	232.092	-0.359	50	10	BBGE	
C[C@@H]1OC2(CNc3cc(B(O)O)ccn3)CC1C2	2223634205	HQTMRQSOLKDNFQ-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
CC[C@H](C)N1CC(Nc2ccc(B(O)O)cn2)C1	2223651027	UMMBVCYTXSAFPD-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3CNC[C@@H]3C2)nc1	2223661580	KQGXVRUAUNYUME-JZYVYDRUSA-N	248.091	-0.862	50	10	BBGE	
CS(C)(=O)=NC(=O)C1(B(O)O)CCC1	2241471044	FYVQOCVXGOWOJW-UHFFFAOYSA-N	219.071	-0.362	50	10	BBGE	
C[C@@H](F)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2241480495	LHRLRRJUYNZUMK-QYNIQEEDSA-N	203.022	-0.286	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cscc1B(O)O	2243348458	XWOBIMUDEWTADE-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
CC(F)(F)C1(CNC(=O)C#CB(O)O)CC1	2243357169	SNFLFRUJQFWDBF-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1occc1B(O)O	2243364217	SWXATQNXAJTHLN-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)sn1	2243377871	IKRZZIYICDTSAX-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
C[C@H](O)C1CN(C(=O)C2CC(B(O)O)C2)C1	2243395824	CGEHMHSPVFEDAI-PTNSZRNDSA-N	227.069	-0.921	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)C#CB(O)O)C1(F)F	2243398011	AMVRRWTXAGXRLU-ZCFIWIBFSA-N	231.007	-0.591	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1occc1B(O)O	2243411647	XXFAROPUMDQGAS-WDSKDSINSA-N	221.021	-0.902	50	10	BBGE	
C=C(CS(=O)(=O)NCC(CC)CC)B(O)O	2243412836	UOERJHURUVPFOP-UHFFFAOYSA-N	249.141	-0.090	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)[C@H]1C[C@@H]1B(O)O	2243414591	DLNBXTRMKKOCFE-VGMNWLOBSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2243417830	XGIUNDLLZOCZSX-RBXMUDONSA-N	226.085	-0.894	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2243419595	CAZWCLMZFOTCEN-XSPKLOCKSA-N	227.069	-0.467	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)co1	2244221534	NLTSAQNSNISGOU-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C=CC[C@]1(CO)CCCN1CCC(=O)NN	2244828065	MTNAWBWWNRXTIW-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2247732396	FCWNVVMUQPFOBI-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
C=COCCCNC(=O)c1ccoc1B(O)O	2247740930	RTZNOBASJIKPOW-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ccoc1B(O)O	2247742111	KULYQJSTQVNAQZ-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccsc1B(O)O	2247749789	ZORYWYKWHJFCEN-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1B(O)O	2247752771	VLGHBYTZRLSDJD-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1(B(O)O)CCC1	2247758755	XDFGYFVSBWUPLS-VIFPVBQESA-N	242.128	-0.031	50	10	BBGE	
CN(C)C1CC(CNC(=O)C2(B(O)O)CC2)C1	2247758938	YOOBFHSEDXFEKC-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CC(C)[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247790041	FFFQXHRWUJSLST-GUBZILKMSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2COC[C@H]2C1	2247792224	RFVRURLSOURWMY-KYXWUPHJSA-N	239.080	-0.656	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247796901	DUUMEIACZYWWTC-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
COC1CC(CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247799942	JTGBAXKTTYKOEP-QLEHZGMVSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1COC2CC1C2)[C@@H]1C[C@@H]1B(O)O	2247804160	FLVMFYYMUHRCHP-WVHJSVDISA-N	239.080	-0.610	50	10	BBGE	
Cc1ncoc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247804549	HLEKPRIOHNXTJG-JGVFFNPUSA-N	238.052	-0.196	50	10	BBGE	
O=C(NCCCN1CCCC1)[C@@H]1C[C@H]1B(O)O	2247804937	IUMKFYVSLANMDB-NXEZZACHSA-N	240.112	-0.549	50	10	BBGE	
O=C1C[C@H](C(F)F)CN1C(=O)C1(B(O)O)CC1	2247853756	QVGYMOJHVRVRTF-YFKPBYRVSA-N	247.006	-0.366	50	10	BBGE	
CC(C)C1CN(C(=O)c2ccoc2B(O)O)C1	2247865841	BHSXQVSSEHKNJS-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1coc(B(O)O)c1	2247870376	IXABMPBUSDCVDG-FTLITQJKSA-N	235.048	-0.512	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCOC[C@H]1F	2247871426	BBMLLESJKMBZFM-HTQZYQBOSA-N	245.059	-0.421	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1occc1B(O)O	2247877301	FZIPRJOTVFTQKF-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
O=C(N1C[C@H](O)C2(CC2)C1)C1(B(O)O)CCC1	2247877767	JWVLOEUHZXSBOC-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
COCC1(NC(=O)C2CC(B(O)O)C2)CCC1	2247892282	XITFDHNNWZPWKE-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CN1CCC(NC(=O)C2CC(B(O)O)C2)CC1	2247892646	FDQAALKONZJHEZ-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CN(CC1(C)COC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897334	QWKUKEPILXVFTD-KYZUINATSA-N	241.096	-0.266	50	10	BBGE	
C=CCONC(=O)Nc1cccc(B(O)O)c1	2247946346	IFTKIMIKXMFZLM-UHFFFAOYSA-N	236.036	-0.395	50	10	BBGE	
CN(CCCCCC(=O)O)C(=O)C#CB(O)O	2248587667	SIUFUTAUNAJZFQ-UHFFFAOYSA-N	241.052	-0.895	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249427785	LEEUXGYSOSIEDB-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
C[C@@H]1[C@H](CCN=c2ccc(B(O)O)c[nH]2)[C@@H]1C	2251060503	KCBSIOGEPLVZDJ-DOFRTFSJSA-N	234.108	-0.113	50	10	BBGE	
CN(CC[C@@H]1CCO1)c1ncccc1B(O)O	2253139702	AOBIBAZDPMLRQX-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1coc(B(O)O)c1	2255452633	AEXMXLQSRHAZJW-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1ncon1	2255469161	LKOYHZLIHKOZDP-QMMMGPOBSA-N	249.035	-0.861	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1ccoc1B(O)O	2255474774	UOWZNKGWKMLHNW-BRPSZJMVSA-N	249.075	-0.122	50	10	BBGE	
C#CCN(C)C(=O)c1cc(OC)ccc1B(O)O	2255504050	PPDCDHQAPAVXNG-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1ccc(B(O)O)o1	2255676488	RALOKGFEHVLFOU-RKDXNWHRSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ccncc1B(O)O	2255690802	HTDBURIZLKTNKP-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
C=C1CC(CNC(=O)c2cncc(B(O)O)c2)C1	2255722417	OFPPLNRXSVVIRG-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3coc(B(O)O)c3)[C@@H]1C2	2255729737	ZZLQHMUQARWTEW-HOTUBEGUSA-N	249.075	-0.122	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)ccc1O	2256018252	XMQNFEIGCYOBTJ-UHFFFAOYSA-N	247.059	-0.785	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]2CC[C@@H]21	2258127827	LPOXMVJTKARPFI-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2CCC1CC2	2258130428	GSMUGUWLVSMNJM-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
Cc1ncc(B(O)O)c(OCc2cccnc2)n1	2264354365	GMBPXKGCKVZRPN-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2298166649	ZSJJLCRRYFKTBV-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCCO[C@@H]21)C1(B(O)O)CC1	2298368314	XVMPPUQBFVVXCI-CIUDSAMLSA-N	239.080	-0.465	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC[C@@H](CO)C1	2300373443	SSKGHXROECIDBR-VWYCJHECSA-N	241.335	-0.293	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@@H]2C[C@H]2C1	2301340644	GTNGTGRHTWXNKU-UWVGGRQHSA-N	228.060	-0.306	50	10	BBGE	
C[C@@H](O)CCNc1ccc(B(O)O)cc1C#N	2301342256	WUFWRNDLODPZCU-MRVPVSSYSA-N	234.064	-0.579	50	10	BBGE	
C[C@H]1CC2CC(Cn3ccc(B(O)O)n3)(C2)O1	2303056251	AWTRPUUEGNMYAK-SILCLGDVSA-N	236.080	-0.480	50	10	BBGE	
Cn1cc(CCN2CC[C@@](C)(B(O)O)C2)nn1	2303135462	GEWZKKQSCBCQJO-SNVBAGLBSA-N	238.100	-0.704	50	10	BBGE	
CCN(CC(F)F)c1cc(B(O)O)c(F)cn1	2303848010	RUZPLJWSRUNIRI-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)[C@@H]3CC[C@@H]32)c1	2312612453	YPBUDWOILDCEOV-OUAUKWLOSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1C[C@H]1CN	2317161433	LYLSVWORALQPGD-WPRPVWTQSA-N	246.075	-0.788	50	10	BBGE	
CN(C)CCCN1C[C@H](N=C=O)CC1=O	19732348	RWBCICHIBQZGEK-SECBINFHSA-N	211.265	-0.125	50	10	BBGE	
CCN(CC)CCNCCC(=O)NN	58847127	SYNNAPXBXMTTNH-UHFFFAOYSA-N	202.302	-0.702	50	10	BBGE	
CCN(CCO)[C@H](C(=O)NN)C(C)C	82468817	KZVPRHIWSIJWDG-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
Cn1c2c(cc(C(=O)NN)c1=O)CCCC2	82675144	OIVACALQSUIQTO-UHFFFAOYSA-N	221.260	-0.132	50	10	BBGE	
COC[C@@H](Cl)CNCCS(C)(=O)=O	83196317	MHPVIMZAHSVAAR-ZETCQYMHSA-N	229.729	-0.126	50	10	BBGE	
CCOCC(=O)NNC(=O)CCOC	108906200	CRZCTRJWVNCQCB-UHFFFAOYSA-N	204.226	-0.793	50	10	BBGE	
NNC(=O)c1coc(CN2CCC(O)CC2)c1	110568589	HGOVFJCXDFQYJI-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H]([C@@H]1CCCO1)N1CC(=O)OC(=O)C1	111217691	VKWBUYKMOFOPKC-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
CC(=O)[C@@H](O)[C@]1(C)NC(C)=C(C#N)C1=O	136673729	FZIDXOKSBPDUTE-SCZZXKLOSA-N	208.217	-0.335	50	10	BBGE	
N#Cc1cccn1CCn1cc(C(=O)NN)nn1	160509020	DDGIDWOYWSLHRJ-UHFFFAOYSA-N	245.246	-0.745	50	10	BBGE	
O=CNNS(=O)(=O)Cc1ccccc1	164711801	TYJFVCFWZHMCPZ-UHFFFAOYSA-N	214.246	-0.233	50	10	BBGE	
COc1ccnc(NNC(=O)[C@H](C)[C@H](C)N)n1	192003458	KDPPSKBMXBPGNH-RQJHMYQMSA-N	239.279	-0.088	50	10	BBGE	
OB(O)c1ccc(OCc2ncccn2)cc1	199302681	KRAISZNYLIYLKS-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CO[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1	230357468	GYLMQRDRHBNCKN-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NC(=O)OCCNS(=O)(=O)CCCl	232301034	SJDGSSJREIALTA-UHFFFAOYSA-N	230.673	-0.760	50	10	BBGE	
CO[C@H]1CN(CCCC(=O)NN)C[C@@H]1OC	234870245	ZRPDTYRCJIUGIR-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1c[nH]c(=O)[nH]c1=O	238419684	ZWCBSUJWSQPZEG-VKHMYHEASA-N	217.612	-0.371	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)OC[C@H]1C	299996278	KHWJVRHQQWPYRU-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
Cl[C@H]1COC[C@@H]1NCCN1CCOCC1	323434265	BHXZOVBVVTXXPZ-UWVGGRQHSA-N	234.727	-0.086	50	10	BBGE	
C[C@]1(O)CCCC(=NNC(N)=O)[C@H]1O	383921441	KOLJHRKQGBHBCP-SVRRBLITSA-N	201.226	-0.694	50	10	BBGE	
C[C@H](O)CN(CCO)[C@@H](C(=O)NN)C(C)(C)C	395689998	WXJDAFKGKDKBDQ-IUCAKERBSA-N	247.339	-0.934	50	10	BBGE	
O=C(CCCl)c1cc(B(O)O)ccc1O	396021427	KVZGMYYANPYUKU-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
CC(=O)Cc1cc(/C=C/C(=O)O)cc(B(O)O)c1	396136181	HYRHCPQYAHNEDD-NSCUHMNNSA-N	248.043	-0.404	50	10	BBGE	
CCc1nn(CCC(=O)NN)c(=O)n1CC	401385423	MFQRQNXAOYKCRI-UHFFFAOYSA-N	227.268	-0.993	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1cccc(B(O)O)c1	405053696	JVCXZKRZXQLUJH-KCJUWKMLSA-N	233.076	-0.361	50	10	BBGE	
N#Cc1ccc(N2CC[C@@H](B(O)O)C2)nc1N	585078476	DYJDHDOYLBJKBS-MRVPVSSYSA-N	232.052	-0.411	50	10	BBGE	
C#CC1(O)CCN(S(=O)(=O)CCl)CC1	606290122	BENJHFMXLZQMPY-UHFFFAOYSA-N	237.708	-0.027	50	10	BBGE	
C[C@H]1COC[C@H](C)N1Cc1ccc(B(O)O)cc1	688928058	SXRPIQOYGGIAAB-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCN(CC)C1	689046462	DYAJAKLIOKWFIW-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(N)=O)N1CCC(O)(C#N)CC1	692124968	YOYOXDVLDQQXSV-MRVPVSSYSA-N	211.265	-0.399	50	10	BBGE	
CNNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	704605220	ANRRGAGRJNYUIJ-YFKPBYRVSA-N	239.197	-0.352	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](CSC)C1	706629971	BTAWMDWEJGADLQ-IUCAKERBSA-N	247.364	-0.324	50	10	BBGE	
CCC1(O)CCN(C[C@@H](C)C(=O)NN)CC1	707246739	HNJLXEDVFWSREY-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)C(=O)NN)CS1	709728324	FFVRWFPAWLPAIU-NKWVEPMBSA-N	231.321	-0.281	50	10	BBGE	
C[C@@H](CN1CCO[C@@H](C2CC2)C1)C(=O)NN	709908348	GGGBWGMSHUNLBZ-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
COCC(C)(C)Cn1ccc(B(O)O)n1	712624428	CPVBRDUVEMPARK-UHFFFAOYSA-N	212.058	-0.765	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718166712	LJSSFOXLHWHLDZ-FHNUBNKASA-N	225.292	-0.526	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCNC1=O	725699460	NYZGTMVUBHCOKT-UHNVWZDZSA-N	233.655	-0.672	50	10	BBGE	
CN(NC(=O)[C@H]1CCCc2n[nH]cc21)C(N)=O	770531907	GUPSZGBTWCQDOF-LURJTMIESA-N	237.263	-0.129	50	10	BBGE	
N#CC1=CCN([C@H]2CCC(=O)NC2=O)CC1	799147346	HUDCNPIUIQZEHE-VIFPVBQESA-N	219.244	-0.053	50	10	BBGE	
COCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862884777	DQUYGPYTNXEWGD-BQBZGAKWSA-N	216.237	-0.652	50	10	BBGE	
C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)[C@H]1CCCO1	902551037	HCDGZSJFVOGCML-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
O=C(NNc1cccnn1)c1cnn(CCO)c1	1152086136	YVGXHGBZDUQILS-UHFFFAOYSA-N	248.246	-0.578	50	10	BBGE	
C=CCn1cc(C(=O)NNc2nc[nH]n2)nn1	1161432227	ZKAGDSWKMBKLBI-UHFFFAOYSA-N	234.223	-0.661	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2cnn(C)c2)n1C	1335314333	QFRUSCLJXDHXKH-UHFFFAOYSA-N	249.278	-0.457	50	10	BBGE	
COc1ccnc(NNC(=O)Cc2nc[nH]n2)n1	1441245657	HYBGBTQTPRWNEF-UHFFFAOYSA-N	249.234	-0.711	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1nncn1C	1540771288	BUEAGZBSQWWMGH-SOFGYWHQSA-N	235.247	-0.125	50	10	BBGE	
O=C(NNC(=O)c1ccc(O)nn1)NC1CC1	1543956745	VWIYZTYEJFOFIO-UHFFFAOYSA-N	237.219	-0.711	50	10	BBGE	
CCNC(=O)NNC(=O)CCCCCO	1597672527	YNYSCINKXYAQEH-UHFFFAOYSA-N	217.269	-0.111	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@@H](N)CC(=O)O	1865996490	UHFOLBLTHPRKHX-UHNVWZDZSA-N	208.645	-0.468	50	10	BBGE	
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NN	1879962614	CTRLGNHGSKDAEA-LURJTMIESA-N	233.268	-0.748	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1S(=O)(=O)CBr	1880271794	KEOHYTZLUINYDX-UHNVWZDZSA-N	244.110	-0.266	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@H]2Br)C1=O	1891863431	YXKLWZAAHKLALX-NTSWFWBYSA-N	247.092	-0.272	50	10	BBGE	
CNC(=O)C[C@@H]1CNCCN1C(=O)F	1892021967	YZCPUNSAPKKIPS-ZCFIWIBFSA-N	203.217	-0.514	50	10	BBGE	
COC1(CF)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1895032103	UVFHNMPALVMMCH-JGVFFNPUSA-N	231.271	-0.717	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)OCC1=O	1897014650	UQZGKFGIBARMJR-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@]2(CO)C1)C(=O)NN	1897332237	QICANLPMPREZDW-WCABBAIRSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NN(C)S(C)(=O)=O)CN1	1901374844	WVNHNYZECNSRQE-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
Cc1nnccc1CN1CC[C@H](B(O)O)C1	1902511646	HRFNGZPOSJWBLH-JTQLQIEISA-N	221.069	-0.166	50	10	BBGE	
C[C@H]1C(S(=O)(=O)N2CC[C@@H](B(O)O)C2)[C@@H]1C	1902514863	YRMHHBRNFNXSLB-BWZBUEFSSA-N	247.125	-0.481	50	10	BBGE	
CCCCNC(=O)CN1CC[C@@H](B(O)O)C1	1902541927	UDPPSFDYRWCZHJ-SECBINFHSA-N	228.101	-0.549	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C(C)C	1903343530	RSZIKROGLXYRCD-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(CCO)C2)C1	1908365672	YXUQUADKOQTDLP-GXSJLCMTSA-N	241.335	-0.293	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2COC[C@@H]2N)CC1	1917111383	BGHYXWYFNXXWJP-ZJUUUORDSA-N	221.260	-0.358	50	10	BBGE	
O=C(Cn1cnnn1)NCCBr	1928696642	QDUDXMIXYORSIN-UHFFFAOYSA-N	234.057	-0.816	50	10	BBGE	
Cc1scnc1C(=O)NNCCO	1929838142	JTVHJIAHGPPBMY-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
COC[C@@H](CCl)NS(=O)(=O)N1CCC1	1929936389	GIXOJGOLIIIZKZ-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
NNC(=O)C(=O)NCCCc1cccnc1	1938002125	RDFBSUFOTDGBAY-UHFFFAOYSA-N	222.248	-0.880	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081273	AQFMVXHLWPGOBM-XWLWVQCSSA-N	241.335	-0.437	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCN(C)C1	1941094074	KFNKCIMPRUGFDK-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@]12CC[C@@H]1C2	1951286190	ZEXCKNUBXORFIR-HQJQHLMTSA-N	232.048	-0.500	50	10	BBGE	
Cn1nnc(CN)c1C(=O)CBr	1953447063	XCTSJWHAHOMCKG-UHFFFAOYSA-N	233.069	-0.149	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(NC(N)=O)C1	1954691452	CAMDEMYVXKHXJI-RXMQYKEDSA-N	202.645	-0.530	50	10	BBGE	
O=C1[C@H]2CCCN2CCN1C[C@H](O)CCl	1961456524	SAXIVIIHAWCKGL-RKDXNWHRSA-N	232.711	-0.107	50	10	BBGE	
CO[C@H]1CC[C@H](CN(C)CC(=O)NN)C1	1962364692	GCSYWYYLQWUEJF-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C=C(CC)Cn1cccc(B(O)O)c1=O	1975101382	RDVYCSLESUQMLJ-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
CCCCC(=O)Nc1ncc(B(O)O)cn1	1976031757	LTWIWUUQCWKEOJ-UHFFFAOYSA-N	223.041	-0.715	50	10	BBGE	
CO[C@H]1CC(OCCC(=O)NN)C[C@@H]1OC	1979354406	SJOQGMACZGZHHJ-IUCAKERBSA-N	232.280	-0.425	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2cnn(C)c2C1	1980301264	DNKRWOUUYZEYOM-QMMMGPOBSA-N	223.280	-0.496	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2CC(=O)NN)o1	1981093273	JYUKSXBCXFIPMZ-ZETCQYMHSA-N	225.252	-0.495	50	10	BBGE	
CO[C@H](COc1nc(B(O)O)cs1)C(C)C	1981423044	YBSFWXJYQXYVCG-SSDOTTSWSA-N	245.109	-0.127	50	10	BBGE	
Cc1ncn(-c2ncccc2B(O)O)c1C	1981455005	SOQHJNRQIVKRTF-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CCON(CC)c1cc(C)c(B(O)O)cn1	1981468888	JNGNXSASRAACFL-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
CC(C)OC1CN(c2nc(B(O)O)cs2)C1	1981469501	TZGQHWZJSIILJA-UHFFFAOYSA-N	242.109	-0.564	50	10	BBGE	
COC[C@H](OCC[C@@H](C)N(C)C)C(=O)NN	1983693124	DNJSVYOQDWGQJB-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
Cc1nn(CCC(F)(F)C(=O)NN)c(=O)o1	1984121627	HFLXNRYTSAKMDL-UHFFFAOYSA-N	236.178	-0.840	50	10	BBGE	
CNC(=O)CSC[C@H]1CC[C@H](C(=O)NN)C1	1985357430	PEPPNYLYZQCGRY-YUMQZZPRSA-N	245.348	-0.128	50	10	BBGE	
NNC(=O)CCCN1CC2(CC(CO)C2)C1	1987153863	MKNAKYUSNQHIFG-UHFFFAOYSA-N	227.308	-0.539	50	10	BBGE	
CN(CCCC(=O)NN)CCC(=O)N(C)C	1987931748	GUMKBKBROBGOCI-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(c2cnn(C)c2)C1	1990726236	XARPUSOZRAQAAH-ZETCQYMHSA-N	223.280	-0.802	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NCC=CB(O)O)O1	1991339762	XOAWSQWADRCCFG-IUCAKERBSA-N	227.069	-0.372	50	10	BBGE	
CNC(=O)NCCCNC(=O)C=CC(=O)Cl	1991649057	WRNNRQXQUXSXKA-UHFFFAOYSA-N	247.682	-0.257	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@]1(O)CCCOC1	1991713159	PJAQBWKQQQLPLW-PBKGFPTLSA-N	247.678	-0.034	50	10	BBGE	
CC[C@H]1CC[C@@H](Cn2cc(B(O)O)cn2)O1	1993523448	KVBGGBORQHBISA-UWVGGRQHSA-N	224.069	-0.480	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994020554	QTOUNKDTSLFMQZ-IMSYWVGJSA-N	227.308	-0.687	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994021117	WHRPYOJSGUQIPB-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(C)OC[C@H]1C(=O)O	2001308194	CQEBNURAWBTXMP-ZETCQYMHSA-N	245.279	-0.263	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@@H]3C[C@H]32)cc1	2004486255	JHNCZVOBGHIQAD-VXGBXAGGSA-N	233.076	-0.661	50	10	BBGE	
CCOCCCN(C)c1ncc(B(O)O)cn1	2004918715	OWYVXGXVDCAFFM-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)C1COC1	2007616571	UQNVDIOWSFXKQC-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
C[C@@H](CN(C)c1ncncc1B(O)O)C(F)F	2012199117	FBJSSZNLAGBSHD-LURJTMIESA-N	245.038	-0.506	50	10	BBGE	
CCO[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	2019209942	LOZWGIPJJGJIGA-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](N(C)C)C1	2019215254	UICABZXHXRPYSW-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CCN(C)C2)n1	2021067966	LFJYQBHPFVUUFZ-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
N#CCN(CC#N)Cc1cncc(C(=O)NN)c1	2027476416	AZXIBBPUQKELDN-UHFFFAOYSA-N	244.258	-0.466	50	10	BBGE	
Cc1nn(Cc2ccc(C(=O)NN)nc2)c(=O)o1	2056637251	NXMZKLGHNNGGFN-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CCOc1cc(B(O)O)cc(OC)c1[N+](=O)[O-]	2060016955	KYDIBCZSFUWUSK-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1cc(B(O)O)cc(C)c1C=O	2060147993	UVNBPRPSTWEFTN-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1cc(B(O)O)c([N+](=O)[O-])cc1C#N	2060209156	AKCAWIRZPHEXPO-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCC[C@H]2C1	2065200179	VZTJNGFPZXEIJG-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
Cc1cc(CN(C)CC2(C(=O)NN)CC2)ncn1	2085655413	WXGQHTAHLLNEJI-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3C[C@H](C2)O3)s1	2211072110	JHWICVUNQDZPSC-OCAPTIKFSA-N	239.105	-0.599	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H]3COC[C@H]32)c1	2211072452	MFTACJTTWGMUQK-GMSGAONNSA-N	239.105	-0.742	50	10	BBGE	
CNCCN(C)Cc1cccc(B(O)O)c1	2211132848	RNSJHIXGMNBLQM-UHFFFAOYSA-N	222.097	-0.982	50	10	BBGE	
OB(O)c1csnc1CN1C2CCC1CC2	2211136415	RMWKWVPTTLWZLW-UHFFFAOYSA-N	238.121	-0.050	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2C[C@H]21	2212602977	BHYRFVQGKMPNAS-QXFUBDJGSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1cnc(NCC2(F)CCC2)nc1	2212610976	SFECCMCMCAFFSR-UHFFFAOYSA-N	225.032	-0.540	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1OCC[C@@H]1C(F)(F)F	2212645825	YRQPERUOSSXVHL-IUYQGCFVSA-N	241.169	-0.347	50	10	BBGE	
C[C@H](COc1cccc(B(O)O)c1)CN(C)C	2212989668	ZILFAJVXEMPVQY-JTQLQIEISA-N	237.108	-0.057	50	10	BBGE	
CC[C@@H](Oc1cccnc1C(N)=O)C(=O)NN	2214882862	MSCRPRKVWPRUSL-ZCFIWIBFSA-N	238.247	-0.672	50	10	BBGE	
OB(O)c1cnc(S[C@@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2216433244	KIGUIGXRTGWTOM-CWBSFMPJSA-N	248.116	-0.097	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2216540607	QCXYXSYXSVYSNS-BRPSZJMVSA-N	233.080	-0.609	50	10	BBGE	
OB(O)c1ccnc(N(C2CC2)C2COC2)c1	2217174468	ZQJPSXOAQOVTPK-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
CC1(Oc2nccc(B(O)O)c2F)CC(N)C1	2217194349	UZQIYSWWDVVFQI-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCOC[C@H]1F	2217199472	MNVWGFHDKHQSEA-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
CCC1(CNc2cc(B(O)O)ccn2)COC1	2217200210	RNGWLFOLRZUKRZ-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cn[nH]c1	2217204403	JJINTPOXPVZRAG-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1Cc1cccc(B(O)O)c1	2220063983	VINCMCJBRRVIDJ-GWCFXTLKSA-N	248.135	-0.322	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2223645215	UETYXHYFUJPZHS-ONGXEEELSA-N	249.123	-0.533	50	10	BBGE	
Cn1cccc(Nc2cc(B(O)O)ccn2)c1=O	2223647061	SMHPPQDJXVJUAV-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@H]2CC[C@H]21	2223650648	PAPUSPHEXSZEET-DVVUODLYSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)c1cc(B(O)O)ccn1	2223667716	RLMBMLMUAKGWIZ-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
CC1(C)C[C@@H](Nc2ccc(B(O)O)cn2)CCN1	2223670153	UBGIENSZCFMICS-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
C[C@H](OCCOCC(=O)NN)C(F)F	2241800875	XPIBHQVUQSEOGA-YFKPBYRVSA-N	212.196	-0.337	50	10	BBGE	
OCCC1(O)CN(C[C@H](O)CCl)C1	2241810385	COIHVALPEDAQPJ-SSDOTTSWSA-N	209.673	-0.985	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCC1	2243349095	FYFYMZVDZYKDFZ-UHFFFAOYSA-N	223.037	-0.496	50	10	BBGE	
O=C(NCCC1CC1)c1ccoc1B(O)O	2243349887	RZYPSKMWUPAHJS-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1sccc1B(O)O	2243376770	PCFNWBWCIIGHRO-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)sn2)[C@@H]1C	2243378116	MUEVWLHJBFQWJT-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
CN(Cc1ccns1)C(=O)[C@H]1C[C@@H]1B(O)O	2243391492	LJKXZKFVRRXJGM-YUMQZZPRSA-N	240.093	-0.036	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243396659	PGLKXQCAGWDVRS-GUBZILKMSA-N	223.081	-0.033	50	10	BBGE	
CCO[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396957	SXWGVEAABOEXRU-CIUDSAMLSA-N	229.085	-0.219	50	10	BBGE	
C#CCN(CC(F)(F)F)C(=O)C#CB(O)O	2243399248	KTDLJZJOSQAYBC-UHFFFAOYSA-N	232.954	-0.974	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243403903	FUBSLPUELDGAKF-KZVJFYERSA-N	227.069	-0.467	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)cc1C	2243404850	VMJGYSPEOYFXAF-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
O=C(NN1CCCC1)c1csc(B(O)O)c1	2243406792	FQDOTUQJEQEMCM-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)C1(B(O)O)CC1	2243409385	GZDQRKHYIDZYIR-XLPZGREQSA-N	225.053	-0.856	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243411346	RTSCCWHZXRZFFM-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2243425836	BMDHJWHKMROUNV-XKSSXDPKSA-N	227.069	-0.465	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCC1	2243425928	CVSMHCYUOAOSGS-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@H](C)CF)n1	2244150027	VSXSYCXVABROSX-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
C[C@@H](CCO)Nc1cc(B(O)O)c(Cl)cn1	2245913037	LCHNMOPIGKUFSN-LURJTMIESA-N	244.487	-0.402	50	10	BBGE	
CC[C@@H](N)COc1cc(B(O)O)c(Cl)cn1	2245913060	LNEPFIHDZXXDIK-ZCFIWIBFSA-N	244.487	-0.469	50	10	BBGE	
C[C@H](N)[C@@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245913227	OFWVMPUSHKCUJQ-NTSWFWBYSA-N	244.487	-0.471	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)oc2C)C1	2247734292	RPSZHDVWJDSHMM-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C1CCC1	2247740117	GILBKYXQVARKPT-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
CC(C)N(C)CCCCNC(=O)C#CB(O)O	2247743514	FCIDJODKCUOTBZ-UHFFFAOYSA-N	240.112	-0.762	50	10	BBGE	
CC(C)N(C[C@H]1CCOC1)C(=O)C#CB(O)O	2247743749	IRVMUSLGLABMOK-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
CC[C@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786526	BVXLHEYQDXAZPX-DOLQZWNJSA-N	243.112	-0.095	50	10	BBGE	
CCOC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247789786	BJYRHQUVEFMSMU-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
COC[C@H](CCNC(=O)[C@H]1C[C@H]1B(O)O)OC	2247798394	SZASXBSBZRUWAB-XHNCKOQMSA-N	245.084	-0.983	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2COC[C@H]21	2247799688	GWMPMNZKEDVXAO-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2247799999	KEGDBFBGTWJRIY-RNJXMRFFSA-N	243.068	-0.535	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](O)CCC12CC2	2247805221	JVKJLERTJVLKDF-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808344	KVPROZOVCHGJRM-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247855518	UCKOKPSEIAPVFA-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cncc(B(O)O)c1	2247869436	RKZHWXGMCXNVMW-HQJQHLMTSA-N	234.064	-0.710	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1occc1B(O)O	2247879755	XKJSOVMJGLRKKR-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC2(COC2)C1	2247887910	TVPUABJUMGRMAS-RKDXNWHRSA-N	239.080	-0.513	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247893699	WRMZVCGJPPCBFW-BMNUFHGDSA-N	241.096	-0.077	50	10	BBGE	
CCOC(=O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894113	CKZBVIOBRXQDQU-OCAPTIKFSA-N	243.068	-0.691	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895374	RKYRSSFWXUSCHI-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC[C@H]1O	2247896143	XMTVOSXCOIOZCE-TURQNECASA-N	241.096	-0.341	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902083	CIKYGOZKXCVQJU-FHNUBNKASA-N	238.096	-0.955	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902309	DZHDBTPRNKARLK-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
C=CC(=O)N1CCCc2c(B(O)O)cccc21	2248407965	NVSCOCYPIDUYIU-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1cccc(B(O)O)n1	2248442807	XLVMXJLTMDSFOD-MRVPVSSYSA-N	232.048	-0.641	50	10	BBGE	
C=CC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248585608	OKEYORWSKSTHIG-RRQHEKLDSA-N	241.052	-0.615	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586452	AZWVMDSDKNGVJG-MATHAZKKSA-N	241.052	-0.685	50	10	BBGE	
O=C(Nc1cncnc1)c1cocc1B(O)O	2249416054	MIJPHWJHHHKDBU-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H](CN(C)[C@H]1COC2(COC2)C1)C(=O)NN	2249637631	VIQYEKQSGRCYPK-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@H](C(=O)NN)C(C)C	2250544558	CIELCFDHRQCRHJ-ZJUUUORDSA-N	247.339	-0.670	50	10	BBGE	
CC1(OCC2(C(=O)NN)CCOCC2)COC1	2250808734	VYXGYWFKSUUCGN-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@]1(C)CC1(C)C	2250948759	CHIVIJZQULMTDO-LLVKDONJSA-N	235.096	-0.219	50	10	BBGE	
CON(CC1CC1)C[C@@H]1CC[C@H](C(=O)NN)O1	2251005599	CAFWDBQHGUVXTR-VHSXEESVSA-N	243.307	-0.203	50	10	BBGE	
COc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1B(O)O	2255503496	FFZFVPFNHYCHBP-XVKPBYJWSA-N	249.075	-0.487	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1c[nH]nc1B(O)O	2255551601	ZQSYXXGZVFBVBO-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1cc(B(O)O)c[nH]1)C2	2255672386	GLQQFFOOAFBJII-PELKAZGASA-N	248.091	-0.291	50	10	BBGE	
Cc1ncc2c(n1)CN(C(=O)C1(B(O)O)CC1)C2	2255693726	JCNSMTKAPBFOJU-UHFFFAOYSA-N	247.063	-0.366	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@@H]2CCO2)c1	2255731034	YUDPWWVAEYEFNU-NSHDSACASA-N	249.075	-0.806	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1[C@H]2C=CC[C@H]1CC2	2255762491	WQNJZCUBGJJKMU-YUMQZZPRSA-N	247.063	-0.977	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccc(CN)cc1	2255772067	ZXORWCNSTMWAFE-WDEREUQCSA-N	248.091	-0.029	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255937877	ZYJZFOKYZKNCCJ-QMMMGPOBSA-N	247.059	-0.786	50	10	BBGE	
C=C(C)CCCNC(=O)c1nccnc1B(O)O	2256060832	SEFTVVPYPDZISO-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368672	REGGYBBBXXZLBG-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2298369875	IDNYIBLAYXQGCL-SOYHJAILSA-N	240.112	-0.553	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2298369894	IJCOMFXKWFJJNS-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)[C@@H]1C[C@H]1B(O)O	2298377604	XOBNQWXVVZDGEY-IGQSMMPPSA-N	233.076	-0.524	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2CCOCC(=O)NN	2302207617	KCHSJSAHNTZZTF-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
COC1(C(=O)N2CC[C@@H](B(O)O)C2)CC(C)C1	2303109405	QQMFQZSZUGSXPI-INWMGODYSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2304186443	JWGXGEHIIOQFRP-LOLPMWEVSA-N	241.096	-0.533	50	10	BBGE	
O=Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]32)cc1B(O)O	2317318038	NJMDVYFTKMNVKA-MVWJERBFSA-N	247.059	-0.622	50	10	BBGE	
O=Cc1ccc(NC2[C@@H]3COC[C@@H]23)cc1B(O)O	2317348866	TXTGOAVVGFGXTQ-NXEZZACHSA-N	247.059	-0.764	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1C(=O)O	35298752	POYROVUSNGEQGL-QMMMGPOBSA-N	243.263	-0.907	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](N(C)C)C1	82469336	WRUFRFLKGFWSNC-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CCN1C	82485312	NZISKVLHSSQIGV-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCC[C@@H]1N=C=O	83919657	NTSBLJODQUMQKE-HTQZYQBOSA-N	229.261	-0.014	50	10	BBGE	
O=C(CCNS(=O)(=O)CCl)NC1CC1	86276246	CNVRWQIMJHRLDC-UHFFFAOYSA-N	240.712	-0.229	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1	110919486	KHRYKDLCTFMOGR-LLVKDONJSA-N	235.287	-0.143	50	10	BBGE	
C[C@H](C(=O)NN)n1c2c(ccc1=O)C(=O)CCC2	160939258	SVFOASQWRLVPRS-SSDOTTSWSA-N	249.270	-0.082	50	10	BBGE	
C[C@@H](Sc1ncnn1C)C(=O)NN	164754116	CKMIABYHHGUFGS-SCSAIBSYSA-N	201.255	-0.714	50	10	BBGE	
CC(C)(CC(N)=O)NS(=O)(=O)CCl	227084681	ONFZZNBEDOYJNI-UHFFFAOYSA-N	228.701	-0.244	50	10	BBGE	
COC[C@H](Sc1nnc(C)s1)C(=O)NN	232421394	SSOBDSBQVPBZHK-YFKPBYRVSA-N	248.333	-0.056	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)C[C@@H]1C	232698764	OOEFHDGWUBYTJI-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
CC[C@@]1(O)CCC/C(=N\NC(N)=O)[C@H]1O	238279074	XLBAMGWFSVVUOJ-NYRSXHEDSA-N	215.253	-0.303	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC[C@H](C)O	253028963	PSLKAXGLMBVRHY-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
CN(N)C(=O)Cc1ccc2[nH]c(=O)[nH]c2c1	258933760	BDXQCLOXIHVELV-UHFFFAOYSA-N	220.232	-0.269	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1ccccc1OC	259058840	MHJQCJYNPQLTCD-VIFPVBQESA-N	223.276	-0.184	50	10	BBGE	
N#CC[C@@H](N)c1ccc2c(c1B(O)O)OCO2	260392289	ROCSBGCGITWIMH-SSDOTTSWSA-N	234.020	-0.991	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)[C@H](O)C1	300058340	BDCHKDGEUIWMTJ-FSDSQADBSA-N	207.657	-0.575	50	10	BBGE	
CS(=O)(=O)N1CCC2(CC1)CC(=O)OC2=O	301029106	QOJVUNGLETXJIJ-UHFFFAOYSA-N	247.272	-0.498	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H]1CCO1	306220677	IBLZTSZHYMWACO-RXMQYKEDSA-N	203.267	-0.710	50	10	BBGE	
CN1CC(NC(=O)CBr)C1	306461848	GPLZYHIXERGGSI-UHFFFAOYSA-N	207.071	-0.189	50	10	BBGE	
NC(=O)NN=CC(=O)/C=C\N1CCOCC1	309329029	UEUYLRMJDKSVSD-KBLKLFLXSA-N	226.236	-0.945	50	10	BBGE	
N#Cc1cc(B(O)O)cc([C@@H]2CCCNC2)c1	382637217	GPKFBYCOXIOJEH-SNVBAGLBSA-N	230.076	-0.295	50	10	BBGE	
O=C1CN(CCN2CC=CCC2)CC(=O)O1	392812570	CSUINTMUOUNCLC-UHFFFAOYSA-N	224.260	-0.366	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CO[C@H](C)C1	401550673	YSSYJFIYLJWKBK-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CCC[S@](=O)NCc1ccc(B(O)O)s1	404829011	DEYYAMLTGISHDX-HNNXBMFYSA-N	247.150	-0.409	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](C(F)(F)F)C1	698949412	IZJPTXCMWQSRFF-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
NC(=O)NNC(=O)C(F)(F)C(F)(F)F	700886899	QOMZFMXTLANBAR-UHFFFAOYSA-N	221.085	-0.117	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCN(C(=O)Cl)C1	703155963	DJGOICSWPDEVKK-RXMQYKEDSA-N	226.685	-0.031	50	10	BBGE	
NC(=S)NNC(=O)C#Cc1ccccc1	705965664	DHUVSDWKARCKQK-UHFFFAOYSA-N	219.269	-0.098	50	10	BBGE	
C=CCS(=O)(=O)N1CCOC[C@@H]1N=C=O	710935676	YAAVNQZHBNVMHU-MRVPVSSYSA-N	232.261	-0.504	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COCC[C@H]1Cl	711015507	OYTQMTADKICRAQ-RQJHMYQMSA-N	242.728	-0.221	50	10	BBGE	
CCOC(=O)N1CCc2cccc(B(O)O)c21	712145491	GWVIWZDNZJQTIQ-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CC1(C)CC[C@@H](Cn2cc(B(O)O)cn2)OC1	714115331	DCEAOVKLZQNSGG-JTQLQIEISA-N	238.096	-0.232	50	10	BBGE	
CO[C@H]1C[C@@H](COc2cncc(B(O)O)c2)C1	721106340	UGXLTUMNHYQOMT-WAAGHKOSSA-N	237.064	-0.435	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@@H](CCN)C1	723921348	BCWRLSSGPLASAI-SCZZXKLOSA-N	242.323	-0.930	50	10	BBGE	
Cc1cccc(NNC(=O)[C@H]2CN(C)C(=O)N2)n1	862518046	LILLYMBCRDKEDI-MRVPVSSYSA-N	249.274	-0.143	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNC(=O)C1CCC1	900658430	HGAANZUGFYUWKU-GORDUTHDSA-N	249.274	-0.218	50	10	BBGE	
Nc1cnnc(NNC(=O)[C@H]2CCN2)c1Cl	1118267820	PNCZXAFREUOYRY-RXMQYKEDSA-N	242.670	-0.483	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc(OC)n1	1136378769	NMXZWEODZWTVHK-UHFFFAOYSA-N	225.208	-0.941	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC[S@@](C)=O	1292880390	HSKCARFWVNBTRG-ZPIQOJFGSA-N	230.289	-0.075	50	10	BBGE	
Cc1cc(=NNC(=O)c2nnn(C)n2)cc[nH]1	1301222012	TZSZDLPNPFQDAR-UHFFFAOYSA-N	233.235	-0.908	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H](C)CC(N)=O	1540444982	LVEROPQDDBBUQK-LURJTMIESA-N	244.320	-0.821	50	10	BBGE	
CNC(=O)NNC(=O)C[C@@H]1CCOC[C@H]1OC	1597341952	SDGXZIYBHWKXGA-JGVFFNPUSA-N	245.279	-0.612	50	10	BBGE	
CCC[C@H](O)CC(=O)NNC(=O)C(C)(C)O	1616527704	WTQPXKQWWQMVNG-ZETCQYMHSA-N	232.280	-0.544	50	10	BBGE	
Cn1ncc(S(N)(=O)=O)c1CCl	1857786783	ZPVBIIIIBNWHQA-UHFFFAOYSA-N	209.658	-0.194	50	10	BBGE	
N[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1Br	1877413971	JXPPOFGUMKQCBE-KAZBKCHUSA-N	219.082	-0.014	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC1CC(Br)C1	1882560907	MTJHVMJHPRINSF-UHFFFAOYSA-N	246.112	-0.013	50	10	BBGE	
Cc1nn[nH]c1CNS(=O)(=O)CCl	1882692362	OBYBFJOGUOMCKN-UHFFFAOYSA-N	224.673	-0.271	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC1(CO)COC1	1882928159	NDGPRGPWYRMGFY-ZCFIWIBFSA-N	207.657	-0.119	50	10	BBGE	
O=C(NNCCO)c1c[nH]nc1Br	1883044435	MMTHHANQLRNDGK-UHFFFAOYSA-N	249.068	-0.601	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCNNCC1	1883645561	PWNBYIHUEGUFMW-RQJHMYQMSA-N	203.673	-0.450	50	10	BBGE	
O=C(CC1(O)CNC1)NC1CC(Cl)C1	1884410441	RUMLCHNBCMEMFV-UHFFFAOYSA-N	218.684	-0.403	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)C#N	1888571193	DOTAPPCWNPVLTF-LURJTMIESA-N	219.266	-0.541	50	10	BBGE	
CN(NC(=O)C1(C#N)CC1)S(C)(=O)=O	1888571678	KWVVXHSQMUDSBN-UHFFFAOYSA-N	217.250	-0.787	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCO1	1889749610	DQMFJBIRBQYVRM-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1OCC[C@H]1CC(=O)NNC(N)=O	1892662673	URWPPEAQGAUUGB-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
O=S(=O)(CC1CNC1)NC[C@@H]1C[C@@H]1Cl	1893127737	JWVGNFFQPWZRHE-YUMQZZPRSA-N	238.740	-0.248	50	10	BBGE	
O=[N+]([O-])c1cc(F)cc(B(O)O)c1O	1893646492	ILPZJIRQAZBJHQ-UHFFFAOYSA-N	200.918	-0.881	50	10	BBGE	
C[C@H](CCl)CN1C[C@H](O)[C@@H](O)[C@@H]1CO	1900167449	XBZMYRPPAOSLMX-XGEHTFHBSA-N	223.700	-0.740	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1COCCCO1	1900889371	JXNCDHFSNBWHCE-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]1C(N)=O	1901763795	MWSQSJUELAMRGG-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
C#C[C@@H]1CCN1c1cc(B(O)O)c(F)cn1	1903005936	MWFOINMXQBWYIZ-SSDOTTSWSA-N	220.012	-0.888	50	10	BBGE	
CC[C@@]1(C)NC(=O)N([C@H](C)CC(=O)NN)C1=O	1905535036	QBTFZIPZIMLTTQ-LHLIQPBNSA-N	242.279	-0.525	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1906309529	OBPKAWUYTWRYAI-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CO[C@H]3CCOC3)(C1)C2	1911213659	OPQDMLGJOUMHOS-LSJOCFKGSA-N	242.275	-0.669	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCCC(=O)NN	1914252832	ALAMIRKDIFOKLF-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)C[C@H]1C#N	1914857149	KJXKGJMFJOIHII-RKDXNWHRSA-N	217.700	-0.274	50	10	BBGE	
N#CC1=CCN(CC[C@@H](N)C(=O)O)CC1	1921712702	QWWLSPMVWNFRHL-SECBINFHSA-N	209.249	-0.056	50	10	BBGE	
CCC[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923432415	SVGYHDVNULDKJQ-SCSAIBSYSA-N	228.170	-0.143	50	10	BBGE	
N#Cc1cccn1C[C@@H]1C[C@@H]1C(=O)NN	1927906955	FIJAJUBDJLVGLG-CBAPKCEASA-N	204.233	-0.014	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1C[C@@H]1C(=O)NN	1927914181	RHSPKLAWDTXKEZ-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
Cn1ncnc1SC[C@@H]1C[C@H]1C(=O)NN	1927916358	DOWGUQJZTYMZKQ-NTSWFWBYSA-N	227.293	-0.467	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSCC1=O	1927916710	GHXZTOIJZRLPSR-NKWVEPMBSA-N	229.305	-0.812	50	10	BBGE	
NNC(=O)C(=O)NCC1[C@@H]2CCCC[C@@H]12	1930429943	ODWGSXNPDQLIES-RNFRBKRXSA-N	211.265	-0.471	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@@H](F)C2)c1	1930621591	LGLXZKLQXLTBTR-VXNVDRBHSA-N	212.033	-0.299	50	10	BBGE	
CC(C)[C@@]1(O)CCN(CCC(=O)NN)C1	1930889228	CXJMERIXBRRIHO-SNVBAGLBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1931526538	KMNOVPITUXXOGJ-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@@]1(CCl)CN(CCn2cnnn2)C1=O	1931726302	SGUHLMVYOHODKS-MRVPVSSYSA-N	229.671	-0.240	50	10	BBGE	
Cn1nncc1[C@@H]1CS(=O)(=O)C[C@H]1Cl	1934427818	LUYAJSSRRFTBIJ-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
CN(C[C@@H]1CCCO1)C[C@@H]1C[C@@H]1C(=O)NN	1936094384	MPXZPFYLVSNQBD-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CCC[C@H]21	1936529918	ORAWJUSWFKQGIY-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cnsc1	1937713155	FAMGBRAGGJJPRK-MRVPVSSYSA-N	244.320	-0.420	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1	1938248235	CKUUPGBGSXNNHM-SFYZADRCSA-N	223.276	-0.233	50	10	BBGE	
NNC(=O)CN1CCC2(CCC2)[C@@H](CO)C1	1938511596	ANGSKISJRNBNRH-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
CN1CC2(CCN(CC(F)(F)C(=O)NN)C2)C1	1940886147	HTDVWTCFODXAIH-UHFFFAOYSA-N	248.277	-0.751	50	10	BBGE	
CN(C)C1[C@@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@H]12	1941091554	ZFWDPBMLSXLSBT-SGIHWFKDSA-N	238.335	-0.896	50	10	BBGE	
COc1cc([C@H](N)[C@@H](O)C#N)c(OC)cn1	1952975679	MFCLVWFQXYRJHC-XVKPBYJWSA-N	223.232	-0.017	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@@H]1C[C@@H]1CCl	1955096994	SFQWKQVTTOBUNI-RFZPGFLSSA-N	242.684	-0.196	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN[C@@H](CCO)C1	1957243503	GBMSMLZCUGMNID-BDAKNGLRSA-N	217.700	-0.226	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@]1(C)CCC(=O)NC1=O	1961732132	GJGZFEAKLGJCDS-MLUIRONXSA-N	232.667	-0.075	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1975152970	RLGTZXVAQUUJLG-XSPKLOCKSA-N	213.281	-0.790	50	10	BBGE	
C[C@H](CN1CC(F)(F)C[C@H]1CO)C(=O)NN	1976198840	XSGBWCRRCXXLTA-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CC[C@@H](O)CN(CC)CCOCC(=O)NN	1977878981	SKDBXODMDZDZIE-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@H]2CC[C@H]1O2	1980046035	JDONEINWWROPDC-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CCO[C@H]2C1	1981241227	AUFJLYPNNAQHFF-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
COCCCN(C)c1ccc(B(O)O)cn1	1981414984	YSMNIGKNLJRJPB-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](CCO)C(F)(F)F	1984132840	VKRBDQRTXHKVIR-PHDIDXHHSA-N	243.229	-0.390	50	10	BBGE	
NNC(=O)C1(CN2CCC=C[C@@H]2CO)CC1	1985651922	LNUAWHACUVTDEA-SECBINFHSA-N	225.292	-0.621	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529781	ICAPZLWFHLMLMO-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@H]1CF	1988722708	GJRJKTQSCIMOJF-XHNCKOQMSA-N	233.287	-0.186	50	10	BBGE	
COC1CCN(CC(=O)NNC(C)=O)CC1	1990773825	AJCCMQQQCXZOAE-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)[C@@H]2C[C@@H]2Cl)CC1	1991677339	KEDIVHXXZHPKOS-RQJHMYQMSA-N	246.694	-0.548	50	10	BBGE	
C=C(COCCC(COC)COC)B(O)O	1992160548	XYECPVALMRVWKG-UHFFFAOYSA-N	232.085	-0.130	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1ccccc1B(O)O	1992835552	DASAYZQCAILRHD-BDAKNGLRSA-N	223.012	-0.793	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(C[C@@H](C)C(=O)NN)C1	1994892017	ICVJXDBCGRPAKL-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
O=C1CN(C2CC(n3cccn3)C2)CC(=O)O1	1997417742	HFFNRZJYOCACQP-UHFFFAOYSA-N	235.243	-0.028	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)[C@H]2C[C@@H]21	2002907874	FHKLTOFTIHHWRJ-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN1CCCC1=O	2004253261	DDYLEORXXBAMRB-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCCN([C@@H](C)C(=O)NN)[C@@H]1CCCNC1=O	2004314754	SQBMRJUOCILPCS-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H]1CC[C@H]1N(C)c1ncc(B(O)O)cn1	2004916084	HPUCPJVLFVPPMD-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
CCN(CC(F)(F)F)c1ncc(B(O)O)cn1	2004916976	SEKUWNVHDHZSAX-UHFFFAOYSA-N	249.001	-0.455	50	10	BBGE	
CO[C@H](C)CN(C)c1cc(C)c(B(O)O)cn1	2004918469	MGRNOTNSMOKQTE-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
OB(O)c1cncc(OCc2cncnc2)c1	2009006250	CQTNNATVPCGWPA-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1[C@H](C(=O)NN)c1ccccc1	2011372853	LLXFOYOBPUJURE-MIMYLULJSA-N	235.287	-0.217	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)C[C@H]1F	2014929250	KFGLVYKLIUNZPP-IMTBSYHQSA-N	242.034	-0.305	50	10	BBGE	
C[C@@]1(Oc2ncc(F)cc2B(O)O)CCOC1	2014930614	XDAKCWZSLZCIIU-SNVBAGLBSA-N	241.027	-0.542	50	10	BBGE	
CCN(CCCN(C)C)CC(=O)NNC(C)=O	2019218504	GLDQSAISOZTRGZ-UHFFFAOYSA-N	244.339	-0.573	50	10	BBGE	
O=C(NCC#CB(O)O)Nc1ccccc1F	2021126679	XFPUBVNTIBBISA-UHFFFAOYSA-N	236.011	-0.037	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccccc1B(O)O	2022199478	FNQVUVQSLRSBLH-JTQLQIEISA-N	231.060	-0.351	50	10	BBGE	
OB(O)c1ccc(F)cc1COCC1COC1	2025715425	XRSBRGUREVKVKN-UHFFFAOYSA-N	240.039	-0.332	50	10	BBGE	
Cc1ncoc1CN(C)c1ncncc1B(O)O	2052468641	GMGFWVMSYWNDNG-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
C/C=C/CCCn1cnc2c(B(O)O)ncnc21	2059204468	WOHFWZZJMRNTSD-NSCUHMNNSA-N	246.079	-0.138	50	10	BBGE	
CCOc1ccc(B(O)O)c(C#N)c1F	2060175048	WBSHZYUDJIFHAZ-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)cc1OC	2060203520	FICRTVWJJHUXOC-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CCOc1cc(C)cc(B(O)O)c1C#N	2060204809	JZXQUUNLEIIYRA-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2CC23CC3)ncc1B(O)O	2069484199	BQRJELZGGNTGNU-SSDOTTSWSA-N	247.063	-0.797	50	10	BBGE	
NNC(=O)C12COC(Cn3ccc(=O)cc3)(C1)C2	2082593534	FAPVIIZWTJFUHT-UHFFFAOYSA-N	249.270	-0.613	50	10	BBGE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncncc1B(O)O	2084418306	SECMJLWZMGOYJU-ILWJIGKKSA-N	247.107	-0.076	50	10	BBGE	
O=C([C@H](F)C(F)(F)F)N1CC[C@@H](B(O)O)C1	2208731314	DLGLQPHOOGLQRA-UHNVWZDZSA-N	242.965	-0.038	50	10	BBGE	
OB(O)c1ccc(Cn2cccn2)s1	2209685896	JHBBAZBPEJUOOK-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(CCCO)C1	2210006048	MYYUHTZSBLOXPC-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
C[C@H]1COCCN1Cc1ccc(B(O)O)s1	2211079632	VNLNYLWMZXBIRW-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
C[C@@H]1CCN1CC1(C(=O)NN)CCOCC1	2212444936	RVRAZIZLXXDRRS-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@](C)(N)COc1ncccc1B(O)O	2212612466	IZPGWFGQKZUDKI-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CC[C@@H](COc1cc(B(O)O)ccn1)NC	2212614992	YSFQYFBNQIWIIM-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC(F)(F)C2)nc1	2216400363	HDONHZIETCDQIG-SSDOTTSWSA-N	244.006	-0.277	50	10	BBGE	
C[C@@]1(CO)CCCN1CC1(C(=O)NN)CCC1	2216528555	QAQVBIYFVPHMIU-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
CCc1cnn(-c2cc(B(O)O)c(C)cn2)c1	2217162310	HSNIJSPGWXZDMY-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2217171620	CROBLQHIQIKSEE-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCNC2)c1	2217178260	TVGXVYQJPCZZRA-VIFPVBQESA-N	235.096	-0.827	50	10	BBGE	
OCC1(CNc2nccc(B(O)O)c2F)CC1	2217179275	IUWUERVDJXNIJH-UHFFFAOYSA-N	240.043	-0.915	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@H]2N)cc1B(O)O	2217179723	NNCISVRSZFBJBE-ZJUUUORDSA-N	235.096	-0.638	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCOC2)cc1B(O)O	2217181114	YKLIMWXJJKKVFN-VIFPVBQESA-N	236.080	-0.482	50	10	BBGE	
CN1CC[C@@](C)(Nc2ccc(B(O)O)cn2)C1	2217203471	VNCWIULQSWSWIJ-LLVKDONJSA-N	235.096	-0.733	50	10	BBGE	
OC[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220063512	LYTNUUWIRATCID-LBPRGKRZSA-N	249.119	-0.429	50	10	BBGE	
C#CCC[C@@H](O)CNc1cc(B(O)O)c(C)cn1	2223647178	UNAIIWHEVHADEB-SNVBAGLBSA-N	248.091	-0.744	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@H]1C1CC1	2223651259	WAAJNSROZPRXKF-MNOVXSKESA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N)[C@@H](C)C2)cc1B(O)O	2223653372	QORMLCJCNORVPJ-GXSJLCMTSA-N	249.123	-0.757	50	10	BBGE	
Cc1nc(C)c(CNc2ncccc2B(O)O)o1	2223667676	UOURMRRKOKWTPZ-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
NC[C@H]1CCCC[C@H]1Nc1ncccc1B(O)O	2223675291	VBJBICHLYBQJPG-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1nccs1	2241478840	MAOJZFZLQYVHKV-UHFFFAOYSA-N	210.023	-0.879	50	10	BBGE	
CSC1CC(C(=O)NNC(N)=O)C1	2241570838	NBLHZPNDDWREKA-UHFFFAOYSA-N	203.267	-0.173	50	10	BBGE	
C[C@@H](O)C[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243348348	XBPDQCJUULTZSG-HTQZYQBOSA-N	229.085	-0.341	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@H]1C[C@H]1C	2243383048	UECVJEJWHLULCO-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243386289	XTIWFCWBHVFRCX-KPCSLPGQSA-N	239.105	-0.188	50	10	BBGE	
C[C@H](CCO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243390804	BMQWLRHKOUDPPT-IWSPIJDZSA-N	229.085	-0.531	50	10	BBGE	
C=CCN(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2243392781	XCLXCAPPPFJYMR-KYZUINATSA-N	227.069	-0.754	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)[C@H]1C[C@@H]1B(O)O	2243403762	CDQXWFMWEMUOMM-CIUDSAMLSA-N	225.053	-0.689	50	10	BBGE	
CCCN(OC)C(=O)c1ccsc1B(O)O	2243408395	MLGSXEGFCGCDJY-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
COC1CC(N(C)C(=O)C2(B(O)O)CC2)C1	2243410828	IMCWIKMTDWPWQQ-UHFFFAOYSA-N	227.069	-0.371	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2243710136	DTUDRLZXDSUWFX-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243758511	GXCDUFFURXAIRM-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
C=CCC1(CO)CCN(CC(=O)NN)CC1	2244837713	OCMUMZVPYFODCL-UHFFFAOYSA-N	227.308	-0.373	50	10	BBGE	
CN(C(=O)Nc1ccnc(B(O)O)c1)C1CC1	2247222598	GRWIYBNMAOMDPP-UHFFFAOYSA-N	235.052	-0.613	50	10	BBGE	
COc1ccc(B(O)O)c(OCCC2CC2)n1	2247230139	DRCVSJANWVBNFO-UHFFFAOYSA-N	237.064	-0.051	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ccoc1B(O)O	2247740268	IFZDMQCYJYFKOL-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
CN(C[C@H]1CCCCCO1)C(=O)C#CB(O)O	2247747055	ILKLTNHOYGRFMG-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
CN(C)CCC(C)(C)NC(=O)C1(B(O)O)CC1	2247750841	OSORNABJQATVGE-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247754498	FAHFLFNCNSNJTD-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C=CCN(CC=C)C(=O)c1occc1B(O)O	2247755732	KREAUYQNPCGHAH-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
N[C@@H]1CC[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247755892	LNKQDJSVIXJABZ-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
C#CC[C@@](C)(CO)CNC(=O)C1(B(O)O)CC1	2247757517	VVMQKSQITKYHLT-SNVBAGLBSA-N	239.080	-0.869	50	10	BBGE	
CN(C)[C@@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247758803	WZNYINGQBDSVOD-JTQLQIEISA-N	240.112	-0.454	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247758990	XZYYQXVHRLPHTD-IUCAKERBSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1B(O)O	2247759658	UWUBLSCPQNUQKY-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@H]21)C1(B(O)O)CC1	2247764945	XVMPPUQBFVVXCI-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1ncncc1B(O)O	2247771043	JVNXSFYZMNJLNX-SSDOTTSWSA-N	237.068	-0.973	50	10	BBGE	
CC[C@@H](C)[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2247781742	NPNURVOJSUKWEC-RNFRBKRXSA-N	239.084	-0.746	50	10	BBGE	
O=C(NCc1ncccc1O)[C@H]1C[C@@H]1B(O)O	2247796851	DLONUORDWHPHKL-BQBZGAKWSA-N	236.036	-0.734	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1c[nH]nc1B(O)O	2247797260	HTQTUHMVMVWILQ-UHFFFAOYSA-N	241.031	-0.917	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247801225	YMUPYEICXSYZQE-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247810422	XHJHGMACSOHZJF-CIUDSAMLSA-N	241.096	-0.077	50	10	BBGE	
CCN(C(=O)c1ncncc1B(O)O)C(C)C	2247855711	XAHOQMFQRDWSMV-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	2247859019	JNYCOZASJJRVPX-ZOZBQHSOSA-N	239.080	-0.636	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccoc1B(O)O	2247867895	AEVLPLXRVWOQAI-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCCOC2)C1(B(O)O)CC1	2247872102	MZSRXMCYTUNPBU-PSASIEDQSA-N	239.080	-0.321	50	10	BBGE	
C[C@H](C1CNC1)N(C)C(=O)C1(B(O)O)CCC1	2247875261	VATIOWGTGNDNRK-MRVPVSSYSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H](C)N(C)CCNC(=O)C1(B(O)O)CC1	2247877504	HPSNVGSKJIPZLJ-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1C	2247879517	TYGDREJXLQPFCR-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC=C[C@H]1CO	2247894884	LVNZVCYFUMDTOR-GUBZILKMSA-N	239.080	-0.611	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CCO[C@@H]2C1	2247895758	BNCJSYMORBNSGV-AATLWQCWSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2247899264	LXQUNPTXSODSLM-SPFKKGSWSA-N	239.080	-0.467	50	10	BBGE	
CCC(CC)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248574848	VIPIJVFSJDISRY-RQJHMYQMSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248589218	NGVLIGOVIUDCMR-BWZBUEFSSA-N	241.052	-0.828	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250695026	GJVXWOFNLWTYPT-SCZZXKLOSA-N	238.096	-0.809	50	10	BBGE	
C[C@@]1(COc2ncccc2B(O)O)C=CCCN1	2253426591	DNSQYXVJBWVGJW-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)o2)C1	2255463351	HTCWXXDLSISLAK-DTWKUNHWSA-N	247.059	-0.509	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1ccoc1B(O)O	2255468500	BPBKWJNFJGQOPS-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ccc(B(O)O)cn1	2255515868	DAVTXGIXDXQJLK-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC=CCN1	2255687951	ODDITOAWEGFKAP-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255742398	BIKKFDGQNXIPHM-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
C=C(C)CCNC(=O)c1ncc(C)cc1B(O)O	2255790656	BBDBPHMPNAIUKH-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N[C@H]1C=CCC1	2258668590	RNSWOIRCIFTZTO-QMMMGPOBSA-N	247.063	-0.399	50	10	BBGE	
N#Cc1cc2c(n(CC(=O)NN)c1=O)CCCC2	2263236426	UHLZCDLNVMZOHP-UHFFFAOYSA-N	246.270	-0.411	50	10	BBGE	
NC[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370083	NRIIVWIYYQUVGW-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
COC[C@@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298371570	PEZLWJTWGVTNPY-FXPVBKGRSA-N	241.096	-0.219	50	10	BBGE	
CC[C@H](CN)Nc1ccc(C=O)c(B(O)O)c1	2301453142	QQMMBOAKFLRWOT-SECBINFHSA-N	236.080	-0.672	50	10	BBGE	
CC[C@@](C)(CN(CCO)C1COC1)C(=O)NN	2303426516	OUMCUMFSOQHEAF-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
OCCCCCOc1cc(B(O)O)c(F)cn1	2303849173	HFVIZPMMKBQZIO-UHFFFAOYSA-N	243.043	-0.558	50	10	BBGE	
C=CC[C@H](N)COc1cc(B(O)O)c(F)cn1	2303853550	VSUQFEGQCYPTKP-ZETCQYMHSA-N	240.043	-0.817	50	10	BBGE	
COC(=O)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317163874	SFBCITGZJONDBJ-ZETCQYMHSA-N	248.047	-0.789	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H](CO)C1	2317167879	NEDXIEJDZPVVGQ-SECBINFHSA-N	246.075	-0.943	50	10	BBGE	
N#CC(=CNCCC(=O)O)C(=O)NCCCl	2325264282	OKAPAKMBUPKYGQ-UHFFFAOYSA-N	245.666	-0.187	50	10	BBGE	
C[C@@H](CS(=O)(=O)N1CCCC1)C(=O)NN	41265774	WNUBWUPHCACZNH-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@@](O)(CCl)[C@H]1O	78170108	DPQRLGLZWCGBGE-ZXXMMSQZSA-N	217.048	-0.727	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NC[C@@H](O)CO	86551003	WRFDZQIJHXJUJT-NKWVEPMBSA-N	245.728	-0.866	50	10	BBGE	
CNC(=O)c1ccn([C@H](C)[C@@H](C)C(=O)NN)n1	93072487	DXKFSJUEECESKC-RNFRBKRXSA-N	239.279	-0.570	50	10	BBGE	
O=C1CN(C[C@H]2CCCCO2)CC(=O)O1	111218048	RSQTYJPMOPYVLM-MRVPVSSYSA-N	213.233	-0.059	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@H](O)[C@H]2C1	125797198	JPCXHZUTDZXXBD-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
O=C=NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	157711529	LLCVCNMMUIAPKN-UHFFFAOYSA-N	239.212	-0.119	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N=C=O)C[C@H](C)O1	157732471	JNEITNMWTUELAL-BQBZGAKWSA-N	220.250	-0.324	50	10	BBGE	
NNC(=O)C(=O)NCc1cccc2cccnc12	159499026	IEZXWSXGYNHULU-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)CS(C)(=O)=O	167617072	JYVFTZCQPCNOPU-YFKPBYRVSA-N	249.741	-0.465	50	10	BBGE	
COC[C@H](C)Oc1ccc(OC)cc1B(O)O	228667289	SCVDORHVUAPNMB-QMMMGPOBSA-N	240.064	-0.211	50	10	BBGE	
CN1CC[C@@H](NC(=O)CBr)C1=O	230227525	AMTDJNKQFMRGNB-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
NC[C@H](O)[C@H](CC(=O)NN)c1ccccc1	231495192	FYSGLODIWKGJFM-ZJUUUORDSA-N	223.276	-0.530	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCCO1)C(=O)NN	232417504	GQCBOOSMERLADX-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
COc1ccnc(NNC(=O)CCCN)n1	237112240	USNVLNRWIXOEMM-UHFFFAOYSA-N	225.252	-0.333	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)c(C#N)c1	238078434	SMWLJCBYLSDXPS-UHFFFAOYSA-N	203.994	-0.804	50	10	BBGE	
Nc1nccc(-c2ccc(B(O)O)cc2)n1	238623845	GCTNISANAXYHSY-UHFFFAOYSA-N	215.021	-0.594	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)[C@H](C)CO1	251760564	UCHQTVIIVQEMOG-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
O=C(CC1=NNC(=O)C1)NN=Cc1cccnc1	254704288	MLPMRVPUCZSKSD-UHFFFAOYSA-N	245.242	-0.202	50	10	BBGE	
CCc1ccc(C(=O)NNC(=O)CC(N)=O)cc1	265840723	RWIKHUSLIMSFCX-UHFFFAOYSA-N	249.270	-0.115	50	10	BBGE	
CO[C@]1(C)CCN([C@H](C)CC(=O)NN)C1	308801020	DQRJCSRKSZJZOF-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cc2N(C)C)cn1	310965893	UXKIVIFMZPAREU-UHFFFAOYSA-N	245.091	-0.073	50	10	BBGE	
Cc1nccn1Cc1nc(C(=O)NN)co1	386783392	LSMMBMQTLJHEIO-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCn1ncnn1	390757520	JDDZGMFDNVZAIL-RXMQYKEDSA-N	246.658	-0.874	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)C1=O	399634903	WBXJZTJFBQCHHC-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1C[C@@H]2C[C@H]2C1	405010626	PPIZRDXYSJWBBI-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
CN(C)CC(=O)Nc1ccc(B(O)O)c(F)c1	405039926	YXCZQYMGCXNBDG-UHFFFAOYSA-N	240.043	-0.994	50	10	BBGE	
OC[C@H](NCc1ccc(B(O)O)cc1)C1CCC1	585045860	NTVBHKWFRZXKDS-ZDUSSCGKSA-N	249.119	-0.383	50	10	BBGE	
CN1CCC(N)(CC(=O)NN(C)C)CC1	686817952	GCOGSVLAGXTBBT-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccccc2B(O)O)CCOC1	687416056	MTKWXTGLRGIKQO-GFCCVEGCSA-N	249.075	-0.269	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1	692108979	YRYHYPCHRZAYJU-SECBINFHSA-N	224.260	-0.100	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)C[C@@H](C)O	692170289	MNVWKIITDBLDCN-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CC(C)[C@H]1CCCN(C(=O)C(=O)NN)C1	694436124	UVFPNZFNRMPVAO-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
OCC[C@@H]1COCCN1C[C@H](O)CCl	694963648	DHGUKARQVJEPNG-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cnccn1	694995658	SIJFRFQCDKYVAB-ZCFIWIBFSA-N	243.650	-0.013	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NNC(N)=S	700850153	ZQWXNLAALCADEI-RITPCOANSA-N	244.320	-0.987	50	10	BBGE	
C[C@H](CN1C[C@@H]2CN(C)C[C@@]2(C)C1)C(=O)NN	702405247	LFEDFVXVLADMIX-SCVCMEIPSA-N	240.351	-0.504	50	10	BBGE	
Cc1cocc1C(=O)Nc1ccnc(B(O)O)c1	705217994	LEKYHNVCAZRIFD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](N)c1nnc(N2CCC(O)(C#N)CC2)o1	709279273	CJSCPSFIFJJSBE-SSDOTTSWSA-N	237.263	-0.056	50	10	BBGE	
COC1CN(Cc2cnc(C(=O)NN)s2)C1	711157939	OIMXCFQIQYAJAV-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2CCCC[C@@H]21	712568589	RSDCCDQJBMBVMB-FXQIFTODSA-N	211.265	-0.329	50	10	BBGE	
COC[C@@H](O[C@@H](C)C1CC1)C(=O)NN	719081704	XSWLJPMLLGQHLQ-POYBYMJQSA-N	202.254	-0.194	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccn(C)n1	723524387	OLGLVNZOCSPVMN-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
C=CCOCC(=O)NNC(=O)NC(C)C	729346778	GHXBOVVNYUFAHV-UHFFFAOYSA-N	215.253	-0.072	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)c1cnn[nH]1)C(C)C	771322432	CTDQQECZKXJFIV-SSDOTTSWSA-N	241.251	-0.763	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC(C2CC2)C1	863883031	UUPOUMLWSHINFQ-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@]12CCCN(CC1)C2	911443871	AUZYUTZWBNEELY-PWSUYJOCSA-N	241.335	-0.184	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	1290392412	WVYPRHIKYURBTN-SSDOTTSWSA-N	224.264	-0.234	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnc(O)c1	1442474457	NTYMCUMTRZRAGN-UHFFFAOYSA-N	224.220	-0.297	50	10	BBGE	
C#Cc1cncc(C(=O)NNc2nc[nH]n2)c1	1472573900	FHDIYJARNMGQNY-UHFFFAOYSA-N	228.215	-0.062	50	10	BBGE	
C/C=C/C=C/C(=O)NNC(=O)c1ncon1	1627099401	BEMILAIEFFYUAZ-MQQKCMAXSA-N	222.204	-0.037	50	10	BBGE	
Cc1nn(C)cc1CC(=O)NNC(=O)C1CC1	1628294184	SDRXGQRHARVLOU-UHFFFAOYSA-N	236.275	-0.172	50	10	BBGE	
CON(C(=O)c1ccc(B(O)O)cc1)C1CCC1	1875520618	AYFFYCSCTPUJOH-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1877380058	KUFZAXCYWOYPAI-LXGUWJNJSA-N	239.724	-0.639	50	10	BBGE	
C#CCN(CC(=O)NN)C(=O)OC(C)(C)C	1879961059	AWMJIPXFUDOOFU-UHFFFAOYSA-N	227.264	-0.153	50	10	BBGE	
CSSCCNC(=O)[C@H](O)CN	1880590495	JUPHPJZJAIGMRH-RXMQYKEDSA-N	210.324	-0.567	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCC[C@@H](O)CO	1882383248	LJWPJEAMUXBGMR-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
N[C@H](C[S@](=O)C[C@H]1C[C@@H]1Cl)C(=O)O	1883567777	RCKJMPMWJXIFTD-URFSICCKSA-N	225.697	-0.226	50	10	BBGE	
C[C@@]1(CNC(=O)CCl)CCNC1=O	1883942982	RLZDRROXIYAEEI-QMMMGPOBSA-N	204.657	-0.132	50	10	BBGE	
O=C1NCCN(CC=CCCl)C1=O	1891862919	JSYCJXRQXYZLCL-UHFFFAOYSA-N	202.641	-0.260	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]1CF	1892923331	FDQZZTDVHSVEAL-BQBZGAKWSA-N	201.006	-0.724	50	10	BBGE	
CC[C@@](C)(CN(C)CC1COC1)C(=O)NN	1902712788	ICRPJKLQIVKKLJ-NSHDSACASA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H]1CC(=O)NC1=O	1905558337	FFHQWNBPDANPMM-UHNVWZDZSA-N	218.640	-0.465	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CC(=O)NC1=O	1905558735	LIPFGZQEPSBXCI-CRCLSJGQSA-N	218.640	-0.465	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NCC=CCO)[nH]1	1911769855	GLISVXMGCVOMQG-LURJTMIESA-N	243.698	-0.034	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(C1)CC2(F)F	1914534227	CAIMVLZROZKVQP-UHFFFAOYSA-N	241.188	-0.047	50	10	BBGE	
N#CC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1915019743	WNIVINSDTTVUQJ-KXUCPTDWSA-N	222.292	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1COC1	1915649570	BNVIFSOJRWKPML-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
CC1(F)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1930280268	ZDPUIWCWOCHUGB-RQJHMYQMSA-N	201.245	-0.344	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@@]1(CO)CO2	1931122871	QYUIKRFJAHFLBA-DJLDLDEBSA-N	216.668	-0.047	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C(F)(F)C12CC2	1931747015	QGDNMCHKPTUJPA-SCSAIBSYSA-N	204.969	-0.840	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C[C@@H]1C	1934982240	YPZOYVDMQBJCAX-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](O)CN(CC(F)(F)C(=O)NN)C1CC1	1935927627	DABPBEWFIJFRHF-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1CCCN(CC(F)(F)C(=O)NN)C1=O	1935942811	WSPZACLIHYTCHA-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1937477365	KZEXMYASGGLZJO-BBBLOLIVSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@]2(C1)CC2(F)F	1939536746	PNUCNITXPSCNCN-XNCJUZBTSA-N	233.218	-0.330	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)C2(CC2)C1	1940645436	QKAMDUDTPMCTKW-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@@H]1C[C@H]1C(=O)NN	1941092693	BUXZJFKCNXBBPY-DTWKUNHWSA-N	242.323	-0.944	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@@H]1C[C@@H]1C(=O)NN	1941497982	FBFSJSPUHBCBEJ-BQBZGAKWSA-N	239.235	-0.274	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(=O)C[C@@H]1C	1944361375	VOVKDTCSQJZOIE-SFYZADRCSA-N	241.291	-0.547	50	10	BBGE	
CCCN1CCN(CC2(C(=O)NN)CC2)CC1	1945883029	SAFRBUZQLGTAEZ-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCC2)C[C@H]1CO	1946222466	LCGWQRXRGNJDFZ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN1CC[C@H]2OCCO[C@H]2C1)C(=O)NN	1946395817	FCKISWNYSXJTMR-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@H]1CO	1953433788	GKFPSFOVOAEXIM-WDSKDSINSA-N	213.686	-0.475	50	10	BBGE	
O=C(CCl)c1cn(C2CNC2)nn1	1954341605	PZMDNIXZGFOKTA-UHFFFAOYSA-N	200.629	-0.156	50	10	BBGE	
O=C1C[C@]2(CCOC2)N1C[C@H](O)CCl	1955268522	DYZOAOKCIPIFNB-APPZFPTMSA-N	219.668	-0.023	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@@H](O)C[C@H]1O	1956249795	ZWFLLPIMWFJLIT-FSDSQADBSA-N	243.712	-0.971	50	10	BBGE	
Cc1nc(SC(C)C)ncc1B(O)O	1956966500	WBLQUWTUKFLHAH-UHFFFAOYSA-N	212.083	-0.035	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccsc1=O	1975104691	UAVWBHMZJNLYES-UHFFFAOYSA-N	237.231	-0.075	50	10	BBGE	
CCN(C)C1CN([C@@H](C)[C@H](C)C(=O)NN)C1	1980601170	GZJFZRCSVQWILL-IUCAKERBSA-N	228.340	-0.363	50	10	BBGE	
CCOCCN(C)c1ccc(B(O)O)cn1	1981413356	FTXVNPSGBKBQRM-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]1(C)COCCO1	1982115559	SIWUQXIMAVOACA-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1csc(C(=O)NN)c1	1985745796	XBGZZVSNEWCODM-XPUUQOCRSA-N	241.316	-0.083	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCCOCC(=O)NN)C1	1986221355	NOELIPAEOBRRKZ-KYZUINATSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]2(CC[C@H]2O)C1	1986978204	YEDCFJAWQUWUMW-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNCCO)C12CCC2	1988758965	UPCXTTCXOMVVAN-BDAKNGLRSA-N	228.292	-0.195	50	10	BBGE	
CC(=O)NNC(=O)CN(C)c1ccnn1C	1990773310	UJRLNTDISKXCGD-UHFFFAOYSA-N	225.252	-0.976	50	10	BBGE	
CC[C@H](OC)C(=O)N[C@@H]1CCC=C1B(O)O	1991331566	ZWUUCKHEKYWOKM-BDAKNGLRSA-N	227.069	-0.372	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@H]2CNC[C@H]12	1991709125	FIWMWDIAUREKGU-GMCWOFSTSA-N	244.678	-0.589	50	10	BBGE	
C=C(CN1CC(C)(C)[C@H]2COC[C@@H]21)B(O)O	1992167431	KGZULSMBEUUFFG-UWVGGRQHSA-N	225.097	-0.089	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@H]1OC	1992782871	QFWHQMJDHCOAQY-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1CCCO	1995117683	MOJZKTRNWMWKMR-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
CC(C)(C)[C@@H]1OCCC[C@@H]1NC(=O)C(=O)NN	1997658881	GJMNTOAAPCEVEH-JGVFFNPUSA-N	243.307	-0.314	50	10	BBGE	
CCCN(CCC(=O)NN)[C@@H]1CCCNC1=O	2004315203	XGMCDYJMAJTGSZ-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
OB(O)c1cncnc1N1CCC2(CC1)CC2	2004917120	UVRVUDUFSHUYME-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)C1COC1	2007616239	QRHPDMQKOPZBIA-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1ccc(C(=O)NN)o1	2011156317	RFUOEVSRXFHICS-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CO[C@@]1(CN(C)[C@@H](C)CC(=O)NN)CCOC1	2013414654	NKGBMHRBDYYIPJ-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC2(CCCO2)C1	2020068611	TUSYFZRRJFAPSO-UHFFFAOYSA-N	239.080	-0.370	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cc(C)ncn1	2025896056	SHCUEBDDULGHHH-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3C[C@@H]3C2=O)c1	2027483370	RBFNYOOOIQEDDZ-UWVGGRQHSA-N	246.270	-0.337	50	10	BBGE	
Cc1oncc1C(=O)Nc1ccc(B(O)O)cn1	2040763922	WKPQCOXEJXQBCE-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1[C@H](C(=O)NCc2cccc(B(O)O)c2)[C@@H]1C	2043287501	RXLKJTCIJAIEIK-BZBKMWRSSA-N	247.103	-0.115	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@@H]1C1CC1	2052468286	BEXXZCDLOIQQFC-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
CN(Cc1cccnn1)c1ncccc1B(O)O	2052491472	LMQOYAMFGFYKQO-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1nc(N2CC(CC(C)C)C2)ncc1B(O)O	2052552633	VPFBQTBREIFOSV-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
COCc1nccn1-c1ncc(C)cc1B(O)O	2061996024	JGYYYLXMAHTWTR-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
COC12CC(C1)N(Cc1ccccc1B(O)O)C2	2065704904	DCOLZBZGSDXQDZ-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H]2[C@H]3COC[C@H]32)c1	2068626086	FGWLEBWOZQSQMS-JGPRNRPPSA-N	248.087	-0.054	50	10	BBGE	
N#Cc1nccn1C[C@H]1CCC[C@@H](C(=O)NN)O1	2073541856	NOHOERFVIFRBQK-BDAKNGLRSA-N	249.274	-0.318	50	10	BBGE	
Cc1c(C(=O)N[C@@H]2CCC=C2B(O)O)cnn1C	2076076009	JJMYRXUHNIQUAA-SNVBAGLBSA-N	249.079	-0.441	50	10	BBGE	
CCc1cc(C(=O)NCC#CB(O)O)n(CC)n1	2077491655	CGFNZVHEVPWYDJ-UHFFFAOYSA-N	249.079	-0.789	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)cc1	2079012066	OARRFJJHHPWHPL-IAZYJMLFSA-N	245.087	-0.105	50	10	BBGE	
COC1CC(CO[C@@H](C)C(=O)NN)C1	2209994221	VDIPEHORILFNLE-KKMMWDRVSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H]1CN(Cc2cc(B(O)O)cs2)CCO1	2211072733	PWJJYNVCTPZBQW-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
N#Cc1ncccc1OC(F)(F)C(=O)NN	2211308657	KPQBNKFVFTVGDS-UHFFFAOYSA-N	228.158	-0.085	50	10	BBGE	
O=C(NNCCO)c1cccc2c[nH]nc12	2212364852	OWRBRROSEWAXMN-UHFFFAOYSA-N	220.232	-0.210	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2212603259	DXNYAUNZAOCNAF-RKDXNWHRSA-N	220.081	-0.359	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1cc(B(O)O)ccn1	2212610242	FMHFBCDRNYBTON-WCBMZHEXSA-N	220.081	-0.004	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@@H]1CCO	2215772106	LYJLOMIYHWWGEJ-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1F	2216528310	NNQRTAZUQUTCKQ-RKDXNWHRSA-N	245.298	-0.185	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H](O)[C@H]2C3)CCC1	2216535123	WPOYWWXXZIURLO-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCNC1	2217172650	LJXNKRUXIZVQND-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC23CC3)[nH]c1	2217175650	LPLURAADDBNETP-MRVPVSSYSA-N	233.080	-0.820	50	10	BBGE	
OC[C@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217176798	ANAHSNLCZCSVFY-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H](O)C2)cc1B(O)O	2217181622	SDJOWZQEXLECMK-RKDXNWHRSA-N	236.080	-0.605	50	10	BBGE	
Cc1cnc(NC[C@H]2CCN2C)cc1B(O)O	2217185306	VHHOBJYWAUHVEI-SECBINFHSA-N	235.096	-0.814	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C(C)(C)CO	2217185394	WLTRVRDPIXBBAT-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
CC(C)[C@H](CCN)Oc1cc(B(O)O)ccn1	2217190098	LFWWKWXGRFPTAR-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
OC[C@H](Nc1ncccc1B(O)O)C1CCC1	2217202815	LTHKXXFXUUKKTC-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(n2cccn2)C1	2221574511	XKYATMLWYXBLHU-MWLCHTKSSA-N	249.318	-0.244	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1c1cc(B(O)O)ccn1	2223632467	KDXDAMVOMUYLBW-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NCC1CC2(CCN2)C1	2223636044	FHFYKCFPQTZUPG-UHFFFAOYSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCCCN1	2223669347	IRJYAWVUIQBFCB-JTQLQIEISA-N	249.123	-0.295	50	10	BBGE	
O=C(C#CB(O)O)NC1(CC2CCC2)CC1	2243349919	SMFPKRBITLKEEI-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)C#CB(O)O)C1	2243356786	MVHPZYINUUPVJW-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ncsc1B(O)O	2243359616	VAYNDABDYIEJMX-FMCRUOTFSA-N	240.093	-0.793	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243361410	AWSUGXVWQSSNDU-ZCFIWIBFSA-N	242.109	-0.824	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1sncc1B(O)O	2243385559	KUSNOAPGJVAXLJ-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
CNC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243391281	IRTMURPNRCDZBM-ZKCHVHJHSA-N	226.085	-0.892	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@H]1B(O)O	2243392474	UMHSNOMKKGAOPQ-NKWVEPMBSA-N	223.041	-0.172	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)O	2243396402	LSZKNBIXAKPGJI-FNCVBFRFSA-N	229.085	-0.485	50	10	BBGE	
CCN(CCN(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2243396641	OXGHAWBWTFBXHE-DTWKUNHWSA-N	228.101	-0.741	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2CSC[C@@H]2C1	2243401554	SRPTVAPUCOAEGG-BRPSZJMVSA-N	239.105	-0.740	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cscc1B(O)O	2243410618	FHDWSJOECWXPOZ-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)CO	2243420083	MGYYLFMEHQNMPW-BIIVOSGPSA-N	229.085	-0.628	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)cs1	2243420664	XATNZJULZHGSPA-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
CCC(=O)Nc1ccc(F)c(F)c1B(O)O	2243524043	GWWNRJYKSGMWLJ-UHFFFAOYSA-N	228.991	-0.007	50	10	BBGE	
C=C(C)C(=O)N[C@@H](C)c1nscc1B(O)O	2243668432	OWFNFOHALATMAH-LURJTMIESA-N	240.093	-0.424	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)[C@H](O)CC1	2243780289	PHGSPGOYLTVUAP-HTQZYQBOSA-N	247.678	-0.348	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)CC1(F)F	2244549838	JFTPEOLJDDUFKK-MRVPVSSYSA-N	231.007	-0.447	50	10	BBGE	
C[C@H](C(=O)Nc1cc(B(O)O)ccn1)C(F)F	2247494159	NHEAQLQVMNBQML-YFKPBYRVSA-N	244.006	-0.399	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247735090	KDGJOEVMKGXQPM-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
Cc1ncoc1CNC(=O)C1(B(O)O)CCC1	2247735718	OGEWOVDUTHIBHT-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)C1(B(O)O)CCC1	2247759178	YTTIITFVPVYOQQ-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2247780388	BBNPSLAKVLGILO-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1CN	2247786282	YOAAANHXWDGJIZ-IMSYWVGJSA-N	240.112	-0.707	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1C1CC1)[C@H]1C[C@@H]1B(O)O	2247789769	BEBAIHSJKPTKRW-QCLAVDOMSA-N	239.080	-0.610	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCCC1	2247809008	WZCUWGUBGLDARQ-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
CCN(Cc1ccncc1)C(=O)C#CB(O)O	2247850362	NIBSLRWEHYLROY-UHFFFAOYSA-N	232.048	-0.555	50	10	BBGE	
Cn1ccc(CNC(=O)C2(B(O)O)CCC2)n1	2247853244	IKWCESIWAKBMBM-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
CC1(C)C[C@H](O)CN(C(=O)C2(B(O)O)CC2)C1	2247878201	MHYYGOOJJFRLSB-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)OC1	2247887638	QHBIXKPNOPLCDV-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CCCN(CC(=O)OC)C(=O)[C@H]1C[C@H]1B(O)O	2247895184	PPBCUKFIDKLXOU-JGVFFNPUSA-N	243.068	-0.739	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897575	UYOFAGLATLOSGR-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
N#Cc1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247900761	ZKHNTOXSZWBHGI-SFYZADRCSA-N	231.020	-0.245	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)ccc2O)CC1	2248027915	BSGLIORXUMGUCL-UHFFFAOYSA-N	235.048	-0.646	50	10	BBGE	
C#CC[C@@H]1CCCN1c1ccc(B(O)O)cn1	2249996651	JWLIRURRGOJTLZ-LLVKDONJSA-N	230.076	-0.247	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2255518137	HUCBDPLQDLTKML-SECBINFHSA-N	246.075	-0.591	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC2(CCC2)C1	2255546337	DCHDXVIEXNADAV-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C=C1CCC(NC(=O)c2cc(B(O)O)n[nH]2)CC1	2255550448	MMUCQOVMNNQBGC-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
COc1cc(CNC(=O)C#CB(O)O)cc(C)n1	2255680473	YHOCZAFESIWINQ-UHFFFAOYSA-N	248.047	-0.970	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CCC[C@H]21	2255692112	SJSZTXIZAUEIKJ-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C#CCCN(CCC)C(=O)c1ccoc1B(O)O	2255721678	DELQRKHDRQRTCO-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
CC1CC(C)(NC(=O)c2nccnc2B(O)O)C1	2256063190	XTKJFWABAYLZRT-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C=C(C)C(=O)N1CCc2c(cccc2B(O)O)C1	2256636599	PKFIHGFFXSWGGB-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](Nc1ncc(B(O)O)cn1)C2	2258394882	VNJDIOZOZFEXCP-YWVKMMECSA-N	249.079	-0.864	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2260808134	NIKKVMAIDJICTK-BDAKNGLRSA-N	249.031	-0.974	50	10	BBGE	
Cc1cncc(COc2ncc(B(O)O)cn2)c1	2264303257	GGYUNDZRTPOWAU-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)S(C)(=O)=O	2297013926	PXPXAIOGHOXDQQ-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375337	GCRPUAZTHSUROA-UYXSQOIJSA-N	240.112	-0.661	50	10	BBGE	
CN(C)[C@@H]1C[C@H]2C[C@@H]1CN2CCCC(=O)NN	2302402780	BKHIKWPJQNAWBD-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
O=C(N1CCN[C@H]2CCC[C@H]21)C1(B(O)O)CC1	2302884473	FTQSMMDPLHSVNP-DTWKUNHWSA-N	238.096	-0.654	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@](C)(B(O)O)C1)C1CC1	2303107904	CEBAWDDQCVQIOW-KOLCDFICSA-N	241.096	-0.123	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1ncccc1B(O)O	2312612265	LSWLZDQMWVTSTB-HLFFCZDVSA-N	247.107	-0.701	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(B(O)O)o1	2313184492	GYUGHAKIGVGTOW-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCCNC1	2317152071	XYSBTMLBBPVANR-NSHDSACASA-N	246.075	-0.631	50	10	BBGE	
CC1(C)NC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317308902	NTWFNRIJUWHQPY-NSHDSACASA-N	249.075	-0.692	50	10	BBGE	
NC(=O)C1CCN(C(=O)NC(=O)CCl)CC1	34963341	UUKMBFHSUZIQOP-UHFFFAOYSA-N	247.682	-0.341	50	10	BBGE	
C[C@H](CNC[C@@H]1CCCO1)C(=O)NN	58854782	YNQJLBIMYUTSOU-SFYZADRCSA-N	201.270	-0.619	50	10	BBGE	
NC(=S)NNC(=O)CCCC(=O)O	73222455	CRVULFWCAOUHAI-UHFFFAOYSA-N	205.239	-0.894	50	10	BBGE	
CC(C)CN(CCN(C)C)CC(=O)NN	82469455	KVAOBUVXZGJLQD-UHFFFAOYSA-N	216.329	-0.504	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@H](C)CC(=O)NN	82470373	PDZJWYDWZCIGIX-MRVPVSSYSA-N	230.312	-0.789	50	10	BBGE	
C[C@H](CCC(=O)NN)Sc1nnnn1C	82471828	ZTLDFWGZASDQBA-RXMQYKEDSA-N	230.297	-0.539	50	10	BBGE	
CC[C@H]1C(=O)NCCN1C(=O)NC(=O)CCl	82477214	ZKJQBDIXSOIEGW-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
C[C@H](N)CSCc1cc(C(=O)NN)no1	85311420	ORGHMHUXAHLNKG-YFKPBYRVSA-N	230.293	-0.142	50	10	BBGE	
C[C@H]1CCO[C@@H]1C(=O)NNC(N)=S	125183458	YPNLXPXZJXLHBK-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
CSCC(=O)NNC(=O)C1COC1	135153879	NGTVIRATCPEICH-UHFFFAOYSA-N	204.251	-0.857	50	10	BBGE	
NNC(=O)c1ccc(COC2COC2)o1	165766336	YXPKIBMMGNRQIF-UHFFFAOYSA-N	212.205	-0.202	50	10	BBGE	
O=C1NCc2cc(C(F)(F)F)c(B(O)O)cc21	199808444	GVBOMZMTCYERIJ-UHFFFAOYSA-N	244.965	-0.371	50	10	BBGE	
O=C(O)[C@@]1(CCCCB(O)O)CCCN1	203699385	PUGJOOXDLAIKFA-SECBINFHSA-N	215.058	-0.164	50	10	BBGE	
C[C@H](CO)SC[C@@H]1CC[C@@H](C(=O)NN)O1	227896701	AZRGFJBCOILTAA-CSMHCCOUSA-N	234.321	-0.362	50	10	BBGE	
CCCCCCCNNC(=O)[C@@H](N)CO	238223539	KOECYOLRMWJJNW-VIFPVBQESA-N	217.313	-0.103	50	10	BBGE	
COc1cc2c(B(O)O)ccnc2cn1	238401101	OJUMBQDWGBEDPB-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
CNNC(=O)C[C@H](N)[C@@H]1CCCN(C)C1	258957457	BRIRNKOCWNJVOI-BDAKNGLRSA-N	214.313	-0.704	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H]1CO	299911365	NTCCMPSCZGIJAY-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@H]1C	299993184	BDIROYYVDWNSSV-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
O[C@@H]1O[C@@H](CCl)[C@H](O)O[C@@H]1CCl	306786258	OWWRQJHWBSJURG-JGWLITMVSA-N	217.048	-0.115	50	10	BBGE	
CC1(C)N=C(N)N=C(N)N1O[C@H](Cl)C(=O)O	309189056	LXMOGVCEJUGJDW-VKHMYHEASA-N	249.658	-0.751	50	10	BBGE	
Nc1nc(Cl)cc(NNC(=O)NCCO)n1	309522225	BYCNLSLKUSFBEG-UHFFFAOYSA-N	246.658	-0.669	50	10	BBGE	
C[C@H](O)CN(CCO)CCCCCC(=O)NN	310096084	LMUIHQLFLWOTGW-JTQLQIEISA-N	247.339	-0.788	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)C2(C)C	380347909	KSEOMONIDJRHAB-IWSPIJDZSA-N	227.308	-0.421	50	10	BBGE	
N#C/C(N)=C(/C#N)N/C=N/CCCCCO	381284201	YYPFGRCKPWBLEK-MDZDMXLPSA-N	221.264	-0.016	50	10	BBGE	
COCC(COC)Oc1cccc(B(O)O)c1	384914814	FERILCJRPGSSEO-UHFFFAOYSA-N	240.064	-0.593	50	10	BBGE	
CC1(C(=O)NCc2cc(B(O)O)cs2)CC1	405039678	YTAHQQSJVYFRJY-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
COC(=O)N[C@H](C)c1cccc(B(O)O)c1	405130077	FNKAVPCBCUWDEU-SSDOTTSWSA-N	223.037	-0.217	50	10	BBGE	
O=C(CCCl)N1CCN2C[C@@H](O)C[C@H]2C1	405722906	UURUSDHVNYKBGB-IUCAKERBSA-N	232.711	-0.107	50	10	BBGE	
CN(C)C(=O)Nc1cccc(B(O)O)c1F	575453896	FSNNNTYDNLJARC-UHFFFAOYSA-N	226.016	-0.401	50	10	BBGE	
NS(=O)(=O)CNNC(=O)c1ccccc1	585667259	DXEXWTRSFDGFKV-UHFFFAOYSA-N	229.261	-0.833	50	10	BBGE	
O=C(OCCl)N1CC[C@@](O)(CO)C1	642866477	JMEUMTHUTHMTHU-ZETCQYMHSA-N	209.629	-0.252	50	10	BBGE	
C[C@H](CO)CN(C)[C@H](C)[C@@H](C)C(=O)NN	688395198	NKLGLCMRRVCCEU-DJLDLDEBSA-N	217.313	-0.439	50	10	BBGE	
COC(=O)[C@H](Cl)CNC[C@H]1COCCO1	690735541	FFVZXYPWBHMMCI-JGVFFNPUSA-N	237.683	-0.228	50	10	BBGE	
Cc1nc(NN)nc(N2CCC(O)(C#N)CC2)n1	694057699	DHOBQGAWAVGOOX-UHFFFAOYSA-N	249.278	-0.680	50	10	BBGE	
NNC(=O)c1nc(CN2CCNC2=O)cs1	696380438	XMUATUJAWKMPGR-UHFFFAOYSA-N	241.276	-0.728	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)[C@@H](C)Cl)C(=O)NC	697903273	BFTGYHGDSUNKAV-RITPCOANSA-N	249.698	-0.036	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1	698019448	WHQYTIKPRHAJSN-AYMMMOKOSA-N	206.054	-0.391	50	10	BBGE	
CCOC[C@@H]1CN(C[C@@H](C)C(=O)NN)CCO1	705879507	ROIDIKLSUJKWMH-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CNNC(=O)CNC(=O)c1cccc(C)c1	707581611	XUOCPBBKYRRZLS-UHFFFAOYSA-N	221.260	-0.025	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)NC(=O)CCl	711209171	BHAGYYFTIQQMPJ-BYPYZUCNSA-N	221.644	-0.733	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1Cc2cccc(B(O)O)c2C1	713250663	YZWMOHYGMBOFKR-PSASIEDQSA-N	245.087	-0.135	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CC1	714026968	ULOQVXLQACXWPO-UHFFFAOYSA-N	206.010	-0.890	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H](C3CC3)O2)c1	715471897	KUYHIJUYQQIXKR-WDEREUQCSA-N	236.080	-0.480	50	10	BBGE	
NNC(=O)C(=O)NCCCOC1CCC1	717264454	YQFCUDDRRWYWIG-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
C[C@@H](O)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	719810754	JXGFOESAZXUWIT-VXNVDRBHSA-N	229.324	-0.296	50	10	BBGE	
NC(=O)NCC(=O)NNc1cc(Cl)ccn1	778519186	VDPZHUOBBSPBHT-UHFFFAOYSA-N	243.654	-0.154	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C#N)[nH]c1C	1136043380	BKXKHGZXIMVFPM-UHFFFAOYSA-N	206.205	-0.024	50	10	BBGE	
NC(=O)CCCCC(=O)NNc1nc[nH]n1	1183624835	RTLJQJBJZZVBFM-UHFFFAOYSA-N	226.240	-0.707	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNc1nccn(C)c1=O	1457690451	XFXLLTOGPBXCJF-UHFFFAOYSA-N	248.246	-0.431	50	10	BBGE	
Cc1cccc(NNC(=O)Cn2cnc(N)n2)n1	1470373815	XXSXVGKDUNVIDH-UHFFFAOYSA-N	247.262	-0.293	50	10	BBGE	
C/C=C/C=C\C(=O)NNC(=O)c1cn(C)nn1	1532340058	BSXILDRVRFQZEP-ICWBMWKASA-N	235.247	-0.292	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cnsn1	1537533498	CPTKPOHLOQKJIP-YFKPBYRVSA-N	239.260	-0.151	50	10	BBGE	
C#C[C@@H](CCl)NCCS(C)(=O)=O	1880673719	HCOPLBOHAQHIST-ZETCQYMHSA-N	209.698	-0.139	50	10	BBGE	
NC(=O)[C@H](N)CN[C@H]1C[C@@H](Br)C1	1880958445	JOOPNALGEVQSQO-NGJCXOISSA-N	236.113	-0.686	50	10	BBGE	
NCc1n[nH]c(=NC[C@H]2C[C@H]2Cl)o1	1883555604	YBHLLOJRPIGIFY-RFZPGFLSSA-N	202.645	-0.011	50	10	BBGE	
O=C(O)Cn1nnnc1[C@@H]1C[C@@H]1Cl	1883645328	NTDRMCPCYQFBCH-DMTCNVIQSA-N	202.601	-0.148	50	10	BBGE	
CN(Cc1sccc1B(O)O)C(=O)F	1887173596	OMFOKJLSLGYIMW-UHFFFAOYSA-N	217.030	-0.051	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H](C)CCl	1887694473	QGXOKASODLPSDP-ZETCQYMHSA-N	216.668	-0.273	50	10	BBGE	
COC(=O)[C@@H](N)C[S@](=O)C[C@@H]1C[C@@H]1Cl	1893117502	AZBJDFGTSQATQS-OHOFSILMSA-N	239.724	-0.137	50	10	BBGE	
CCC(C)=CCn1cccc(B(O)O)c1=O	1900861685	HWVRGJXVZINIHN-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
CN(NC(=O)C[C@@](C)(N)C1CC1)S(C)(=O)=O	1901338980	GIWILJFBAPESJL-SECBINFHSA-N	249.336	-0.574	50	10	BBGE	
CC=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1901374370	DDMYNRIHYYPSGT-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
N[C@@H]1COCC[C@]1(NC[C@H]1C[C@@H]1Cl)C(=O)O	1904222318	KWKDQIXMJOLXDY-IBCQBUCCSA-N	248.710	-0.226	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCO[C@@H]12	1909495944	JEAKCSOBKPZJOE-FNCVBFRFSA-N	213.281	-0.669	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](O)C12CCC2	1914400059	YVGOWYPTICALTD-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
CC(C)N(CCO)CC(F)(F)C(=O)NN	1927817023	WEVHPZAFTVTPEJ-UHFFFAOYSA-N	225.239	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCOCC1	1927914647	WPJSUWFECUDGHG-DTWKUNHWSA-N	213.281	-0.665	50	10	BBGE	
CC(C)N(CCO)C[C@H]1C[C@H]1C(=O)NN	1927914785	YDCLRSVPXXPOGQ-RKDXNWHRSA-N	215.297	-0.685	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@]2(CO)C[C@@]2(CO)C1	1928562834	TWBBSCMLQQNVOM-GUBZILKMSA-N	230.695	-0.206	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)Cn1cnnc1	1928689894	CHSNRLHSRGSLSV-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
NNC(=O)C(=O)NCC1[C@H]2CCCC[C@H]12	1930429941	ODWGSXNPDQLIES-BQBZGAKWSA-N	211.265	-0.471	50	10	BBGE	
C[C@@H](O)CN(C)CC1(C(=O)NN)CC1	1931265948	YDOJAGVIHMRSRS-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@]1(C)CO	1932967280	LPKAKJCBCLQXNY-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CC1(C)CC[C@H](O)CN1CCC(=O)NN	1934787223	KKNHCOIZQFLHJE-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@H]1C	1936094258	LPIGAACAMGKFPF-RYPBNFRJSA-N	225.292	-0.273	50	10	BBGE	
CC(C)NC(=O)CSC[C@H]1C[C@H]1C(=O)NN	1936095665	ZPGOKYONFYNPKH-HTQZYQBOSA-N	245.348	-0.130	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1938474496	PRVCDLRLHLFZHB-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)N1[C@H](C(=O)O)C[C@H]2OCC[C@@H]21	1940204271	XZCWGDQGSNNXNA-BIIVOSGPSA-N	243.263	-0.511	50	10	BBGE	
COc1cc(OC)n(CC(C)(C)C(=O)NN)n1	1944778085	DGNYMXONFRWZDO-UHFFFAOYSA-N	242.279	-0.084	50	10	BBGE	
CC12CC(NC(=O)C(=O)NN)(C1)C1(CCC1)O2	1951269202	AAJXBFBHVSFYJN-UHFFFAOYSA-N	239.275	-0.663	50	10	BBGE	
CC1(C)[C@H]([C@@H](N)[C@@H](O)C#N)CCS1(=O)=O	1953053480	WAHLKUHNTSCRPS-BIIVOSGPSA-N	232.305	-0.589	50	10	BBGE	
O=C(CCl)N[C@@H]1CO[C@H]2COC[C@H]12	1954355892	BTDLIQUMNWIIDO-QYNIQEEDSA-N	205.641	-0.245	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCB(O)O)CCS1	1955420638	KUWUMVCPOLJWDY-RQJHMYQMSA-N	217.099	-0.354	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CCCCO	1958352129	BODLJVFTNJXRPC-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CC(F)(F)[C@H]1CCN(C(=O)C(=O)NN)C1	1958618521	HZYHTYLTPNKYCY-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
C[C@H](CN1CC[C@@H]1CN(C)C)C(=O)NN	1958803306	DAUYBJAVNSGYPR-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CC[C@@H](O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1959511001	KQDAMOVTYNDJOS-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
CC(C)(C)OCC1CN(CC(=O)NN)C1	1960431797	ZHNUFYVQRIKHEP-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CCO2)C1	1961521161	SOURFURBKCPPPP-SFYZADRCSA-N	213.281	-0.524	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2CC2)n1	1961697345	WQMCAACHTGTFMR-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@]1(C)CC1(F)F	1961739666	CUEILRKDFLQCMG-FFWSUHOLSA-N	221.207	-0.474	50	10	BBGE	
CCCOC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1976057294	CGMBOHFXNAPXQD-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCN(C2COC2)CC1	1980644749	CVSXWZCMGUNCLB-SECBINFHSA-N	248.710	-0.305	50	10	BBGE	
Cc1cn(-c2nc(C)ccc2B(O)O)cn1	1981464774	HBCTZHZSOJGSFE-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(=O)N2CCOC[C@@H]2C1	1986928865	AZNPEVPRXBATSG-BDAKNGLRSA-N	243.694	-0.340	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NCC=CB(O)O	1991327175	NYDDHPYYNMHMGA-MUWHJKNJSA-N	233.023	-0.038	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)C=CC(=O)Cl)C[C@H]1O	1992071925	YOSZVULSNMDMNF-GMSGAONNSA-N	247.678	-0.348	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2COC[C@@H]21	1992337758	KBAYFDCVBQHKNF-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
Cc1noc(CN(C)[C@H](C(=O)NN)C(C)C)n1	1997733115	HABVYUQTSRHZGE-VIFPVBQESA-N	241.295	-0.176	50	10	BBGE	
CN(CCCCC(=O)NN)CCn1cncn1	2003823756	BBCZTWBEFNCJQW-UHFFFAOYSA-N	240.311	-0.630	50	10	BBGE	
Cc1nc(O[C@H]2CO[C@H](C)C2)ccc1B(O)O	2004925447	QJAJPOCOUNHHJX-VXNVDRBHSA-N	237.064	-0.374	50	10	BBGE	
CCCN(CCOC)c1ncccc1B(O)O	2004930611	VLQOUYUOGNRDQX-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1nc(N2CC3(C)CC2C3)ncc1B(O)O	2004973440	VAAZXACLZJHGEF-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]3C2)c(F)c1	2005018729	XPBXDDISGVPLHL-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)CC1(C(=O)NN)CC1	2007574287	PGDYMNWOLFVPFE-OPRDCNLKSA-N	239.319	-0.277	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC[C@H](F)C1	2008845146	XIIPJHMSYSQISB-IUCAKERBSA-N	239.055	-0.334	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1CCCC(=O)NN	2010572772	YTFHRGMFQHZOOV-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CC(=O)NNc1ccccn1	2011383347	YUSXBXRAKCIJCF-IUCAKERBSA-N	236.275	-0.410	50	10	BBGE	
CCC[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	2011676718	MVIFEBRDPOOOIK-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
COCC1(C(=O)N[C@H]2CCC=C2B(O)O)CC1	2020062909	VHHKPWWAGDBOFZ-VIFPVBQESA-N	239.080	-0.370	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(CO)C1	2021653312	AJXURCVVVRGVLB-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
COC1(C(=O)NCc2cccc(B(O)O)c2)CC1	2047747534	YPZIBIDWXJOXSS-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
Cc1cc(N(C)[C@@H]2CCN(C)C2)ncc1B(O)O	2052472134	JRNBAUOVZMEQNF-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)c1ccc(B(O)O)cn1	2056383431	IOYWCYXIFRZEHP-CKYFFXLPSA-N	248.091	-0.768	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1C	2060380249	ZUOFGBXAJGNPMP-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2cc[nH]c12	2077482253	FCEXLRZDVFAQNC-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2210106747	YCAVSBJDWIZADK-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)COC[C@H]2C1	2211716970	GRPIVLXALFOBHP-JGVFFNPUSA-N	246.694	-0.317	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)[C@H]1C	2212614297	CDDQBVVDNARRRH-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](CC(N)=O)N(C)CC1(C(=O)NN)CCC1	2216534765	REHPCJCGCLYXOI-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
C[C@H]1CC[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2217172068	HNQCCDQMDIVDGY-IUCAKERBSA-N	235.096	-0.574	50	10	BBGE	
CCN(CCC#N)c1nccc(B(O)O)c1F	2217180000	PWGFFAWYHKESGC-UHFFFAOYSA-N	237.043	-0.360	50	10	BBGE	
OC[C@H](Nc1cc(B(O)O)ccn1)C(F)(F)F	2217182560	FCOHIHOGKFKVBN-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
CCOC(=O)CCNc1ncccc1B(O)O	2217184057	QCKRTMXWYKXSSC-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)OC(F)F	2217184971	XFOJRFPRTURDLN-ZCFIWIBFSA-N	246.022	-0.777	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2217185868	CFGZFGUNLIWOSA-SVRRBLITSA-N	240.043	-0.653	50	10	BBGE	
C[C@H](CCCN)COc1cc(B(O)O)ccn1	2217189874	JUVXMQLGYGGKRX-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CC1(C)C[C@@H](Oc2cc(B(O)O)ccn2)CO1	2217191651	DCHOZSVOSPXLSE-SECBINFHSA-N	237.064	-0.292	50	10	BBGE	
C[C@]12CC[C@H](Nc3ncc(B(O)O)cn3)[C@H]1C2	2217205201	VKCNXTDKBQTHND-WCABBAIRSA-N	233.080	-0.243	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CN[C@@H]3CCC[C@@H]23)c1	2223628184	POVULVOIIZLZEG-GMTAPVOTSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CNCC3(CC3)C2)c1	2223635592	YZJRQFNBEZTCSX-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(NCC2=CCCOC2)cc1B(O)O	2223643954	CHPMVNVEWGDEMP-UHFFFAOYSA-N	248.091	-0.172	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1N(C)C	2223673588	GMWKTQPDOUOQNL-MWLCHTKSSA-N	249.123	-0.852	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCO[C@H]2C2CC2)nc1	2223674518	QFJOLFPSWOHLNV-PWSUYJOCSA-N	248.091	-0.259	50	10	BBGE	
C[C@@]1(NC(=O)CBr)CCNC1=O	2242168106	JVFAVDICIILNFT-SSDOTTSWSA-N	235.081	-0.224	50	10	BBGE	
NC[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243365764	RUYIBHKEJCDFJC-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
O=C(N[C@H]1C[C@]12CC2(F)F)C1(B(O)O)CC1	2243366192	YMOWXCKPDDRWLM-FSPLSTOPSA-N	231.007	-0.093	50	10	BBGE	
COCCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382790	RZGAMVPCSSCKIF-DTORHVGOSA-N	229.085	-0.218	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)cs1	2243386248	XCAPCBIKIDITAO-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243390730	AIBJMBKNOJCZRO-XHNCKOQMSA-N	228.101	-0.694	50	10	BBGE	
C[C@@H](O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396559	NUTRIJGSFHFDPW-IWSPIJDZSA-N	229.085	-0.483	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1CSC1	2243408559	PLTKJEOUEYBWEJ-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
O=C(Nc1cncnc1)C1(B(O)O)CCC1	2243409349	GKDAYORCSCUWNU-UHFFFAOYSA-N	221.025	-0.188	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC=C(F)C1)B(O)O	2243411887	CBTKLVDRILJPQH-UHFFFAOYSA-N	249.072	-0.557	50	10	BBGE	
CCCN(C)C(=O)c1c(C)nsc1B(O)O	2243415030	MVIUROSDXKQNCF-UHFFFAOYSA-N	242.109	-0.387	50	10	BBGE	
O=C(NC[C@H]1CCOC1)C1CC(B(O)O)C1	2243415928	FMEUALQXVZLEIS-AFPNSQJFSA-N	227.069	-0.608	50	10	BBGE	
CCN(C)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243420098	MOSSSRITYCIFSX-DTWKUNHWSA-N	226.085	-0.988	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1cc(B(O)O)cs1	2243678591	LKHSJRORJWNXEQ-ZETCQYMHSA-N	237.089	-0.372	50	10	BBGE	
C=C(C)C(=O)Nc1ncc(B(O)O)cc1F	2243679129	SRVNJUBVHRQPMU-UHFFFAOYSA-N	224.000	-0.585	50	10	BBGE	
CC[C@@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2243752281	HKTFHDACIUTDDP-MRVPVSSYSA-N	229.041	-0.637	50	10	BBGE	
Cc1cnoc1C(=O)NCCC#CB(O)O	2244546006	FSQHTVUQXQQASY-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
OB(O)c1ccc(COC[C@H]2CCO2)c(F)c1	2247635492	WEVWQFXXZYSROY-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1coc(B(O)O)c1	2247737188	DNBYNXNTKWOQFI-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
O=C(NCCC(F)(F)F)c1cc(B(O)O)c[nH]1	2247737463	GUKOKYVCMBBWSV-UHFFFAOYSA-N	249.985	-0.623	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)C#CB(O)O	2247740604	MWMMOELQYSQTAU-VWYCJHECSA-N	235.092	-0.104	50	10	BBGE	
CO[C@](C)(CNC(=O)C1(B(O)O)CC1)C1CC1	2247756649	TUAJNAGRVPCLES-SNVBAGLBSA-N	241.096	-0.075	50	10	BBGE	
CC(C)C[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2247783159	ALWKOTCOPVCVQT-SSDOTTSWSA-N	239.084	-0.746	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)c(OC)c1	2247784861	BQOLESWGKGHYPD-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247796903	DUUMEIACZYWWTC-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2247807378	HSSOIAHJWABBDT-YSSBGUOXSA-N	239.080	-0.656	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850356	NHKHCDSEYYSMQB-YUMQZZPRSA-N	236.080	-0.530	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H](C)C1	2247853123	GRHCMOIQNRNFMM-SSDOTTSWSA-N	237.064	-0.250	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H](C)CF)n1	2247853611	OTQGLZBZRNIQRN-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
CN(C)CC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858343	CYOCZFQBDQPQQD-MGCOHNPYSA-N	240.112	-0.741	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1coc(B(O)O)c1	2247868923	ZPSDFWQCYVSBAV-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2coc(B(O)O)c2)C1(F)F	2247871518	CKNGBKJLARPOPW-MHTLYPKNSA-N	244.990	-0.657	50	10	BBGE	
CC[C@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247872224	OWZWKWDOVMFVBG-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1CN2)C1(B(O)O)CCC1	2247877930	GMPAWIMDMRRIDC-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@@H]2C[C@H]2C)oc1B(O)O	2247891122	VJRZLSMGLWFFSZ-HTRCEHHLSA-N	237.064	-0.252	50	10	BBGE	
O=C(NCC[C@H]1CCCO1)[C@H]1C[C@@H](B(O)O)C1	2247894231	DPWSSHRPVCZNQJ-KXUCPTDWSA-N	241.096	-0.075	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2247911747	YBYMLPLBSQGTCY-NFTFJBJSSA-N	243.112	-0.237	50	10	BBGE	
O=C(Nc1ncccn1)c1cc(B(O)O)co1	2249415347	CNILCRQKYDCIPX-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
N[C@@H]1C[C@H]1c1ccc(NC(=O)C#CB(O)O)cc1	2255462518	WJCRATHDYOZFQE-WDEREUQCSA-N	244.059	-0.545	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(C)c1	2255513227	NGAYDELIIJYSOW-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
Cc1cncc(NC(=O)c2n[nH]cc2B(O)O)c1	2255548322	MDRGAFZGIFCHJG-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(C)ccc1B(O)O	2255689682	ONZGWMGUIOQLIN-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1coc(B(O)O)c1	2255732278	SFGOCHVOJDJJLD-WCBMZHEXSA-N	249.075	-0.265	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CC[C@H]3C2)oc1B(O)O	2255789520	IJJWLWDPPZNXIX-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2cccc(B(O)O)c21	2256596257	WBFGBBAVXQKRPD-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
CC1(Oc2cc(B(O)O)ccn2)[C@H]2CNC[C@H]1C2	2258375113	AEIOPTAYBCTUPC-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
N#Cc1ccc(C(=O)NCC=CB(O)O)cc1F	2258565087	CHRHCPMFXWILTJ-UHFFFAOYSA-N	248.022	-0.005	50	10	BBGE	
Cc1nnccc1CNC(=O)C1(B(O)O)CCC1	2261220667	WCKSQHRAIZLCRP-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2COC[C@H]2C1	2298371608	PXOSBQPONXQVOB-ZYUZMQFOSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)C12CCC2	2298375783	ZJDNOFFCNDKDCU-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H]1O	2298376260	OYXGRZVBWMLLMS-SRQGCSHVSA-N	241.096	-0.485	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@@H]2CC[C@H]2C1=O	2298435997	SSJFJWHLHRNMIF-LXGUWJNJSA-N	237.259	-0.993	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CCC1(F)F	2298965254	XPHUWSQVKCZHQA-SSDOTTSWSA-N	243.018	-0.427	50	10	BBGE	
CN1CCC[C@@]1(C)COCCOCC(=O)NN	2300064699	BAJHIICYHPUAEN-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC=C[C@@H]1CO	2300365591	ACWABJZBVGXBIF-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H]1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	2300373462	RNPHNJNLVCLHIH-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
CCC1(O)CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300375239	VUCCULKJDYVYTP-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C#CC1(Nc2ccc(C=O)c(B(O)O)c2)CC1	2301418858	FREFQAXLKUPVPT-UHFFFAOYSA-N	229.044	-0.243	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC2(F)F)cc1B(O)O	2301421138	QJNQESMXNODUDJ-SECBINFHSA-N	241.002	-0.002	50	10	BBGE	
NCC12CC(CCN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2302053073	PAAUQPCLQMCGTK-GWMJWBFUSA-N	238.096	-0.811	50	10	BBGE	
C[C@H](COc1cc(B(O)O)c(F)cn1)[C@@H](C)N	2303855544	NGIQPABCYGEGBT-RNFRBKRXSA-N	242.059	-0.737	50	10	BBGE	
O=C([C@H]1O[C@H]2CC[C@H]1C2)N1CC[C@@H](B(O)O)C1	2307451453	ZQODVDPVTCPEHU-JXUBOQSCSA-N	239.080	-0.371	50	10	BBGE	
O=C(NCCBr)[C@H]1COCCO1	55302452	IVCVZOINIUBUFW-ZCFIWIBFSA-N	238.081	-0.087	50	10	BBGE	
CC(C)CC(=O)N/N=C(\N)c1nnc(N)o1	82293124	VMBAPTSGRQGKAC-UHFFFAOYSA-N	226.240	-0.566	50	10	BBGE	
NNC(=O)CCCCO[C@H]1CCOC1	82465474	VMPMUMNFVHTDFK-QMMMGPOBSA-N	202.254	-0.048	50	10	BBGE	
CCCN(CCCC(=O)NN)CC(=O)NC	82470268	BIWSRDGMHKKXRS-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C2CC2)CC1	110597197	OEGGHWJVVAHXED-LLVKDONJSA-N	240.351	-0.219	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1ncccc1=O	132861201	TWPKDCBDRLFORS-YFKPBYRVSA-N	202.597	-0.065	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@H](N)C(C)C	133555947	SEISQRDQRVZOIX-JTQLQIEISA-N	244.339	-0.541	50	10	BBGE	
O=C1[C@H]2C[C@H]2C(=O)N1C[C@H](O)CBr	157841813	JJOVHDOAMQPGFY-PBXRRBTRSA-N	248.076	-0.253	50	10	BBGE	
C[C@H](NC(=O)NN)C(=O)N1CCCCC1	162841225	ZZAWWJAYEFGZFK-ZETCQYMHSA-N	214.269	-0.440	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](C)(O)C1	163760675	UQNRTPIFJDNDMQ-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CNCC(=O)NNC(=O)CC(C)(C)C	193129371	JRPVCRNRFYZCAT-UHFFFAOYSA-N	201.270	-0.211	50	10	BBGE	
COc1cc(C=O)cc(B(O)O)c1OC	195940715	SWVLGNQTPJEFJE-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C1	222177140	ZRXYJBPOVVHOHM-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@@H](C)Br	234717428	LNFZAXVCCNFCHK-PHDIDXHHSA-N	240.097	-0.107	50	10	BBGE	
CC[C@@](C)(OC(=O)NNC(=N)N)C(C)=O	238299540	ZGLQINHTAQEVCV-MRVPVSSYSA-N	216.241	-0.132	50	10	BBGE	
CO[C@H](C)[C@](C)(O)/C(C)=N/NC(N)=O	238396667	QTOMDNBWUJLWKQ-VACIDYQJSA-N	203.242	-0.184	50	10	BBGE	
OB(O)c1cc(O)c2ccsc2c1O	307458227	CYVGIBRTXXYAOT-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3C[C@H]3C2)c(F)c1	307592774	FXNZPAODIPUPBN-UWVGGRQHSA-N	235.067	-0.043	50	10	BBGE	
COC[C@H]1CCCCN1[C@@H](C)C(=O)NN	307775587	WSWSSKDAZUYLMU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCN(C)C1	308900956	KEPNVHGSCUJYSU-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
COc1cnn(Cc2cccc(B(O)O)c2)c1	310306951	RRYUABWATJMQNS-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
O=C(NNC(=O)C1CNC1)c1ccoc1	381836935	PBPFIAMNMFVILF-UHFFFAOYSA-N	209.205	-0.740	50	10	BBGE	
CCN(C[C@H](C)OC)[C@H](COC)C(=O)NN	383059347	HTJHZQLUZFAXRG-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CNCCCN(C)CCC(C)(C)C(=O)NN	395604184	DYVQYMOYAUOZLQ-UHFFFAOYSA-N	230.356	-0.066	50	10	BBGE	
CCC(=O)c1cc(CO)cc(B(O)O)c1	396040205	LLAGZFSKHWUADZ-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
Nc1c(C=O)ccc2cc(B(O)O)sc12	396235137	FKOBGSNNVGETQQ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@H](C)C(=O)NCc1sccc1B(O)O	405014553	BMVUJISODPBLDI-ZCFIWIBFSA-N	243.093	-0.921	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(C)CCOC1	687519931	RXWMFDFANXALOZ-SECBINFHSA-N	201.270	-0.665	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)CF)CC1	692126022	ZEQGKZVVDVMUQV-QMMMGPOBSA-N	202.229	-0.333	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(C#N)C1	693996982	CXEACQGZMPBJDN-SCZZXKLOSA-N	210.281	-0.010	50	10	BBGE	
C[C@@H](CN1CC2CC1(CO)C2)C(=O)NN	694583150	MIWLZPGMKADUDL-JEUQWKINSA-N	213.281	-0.931	50	10	BBGE	
COC[C@@H]1CCCCN(C(=O)C(=O)NN)C1	696603407	WZVDHTDOWXFCEK-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
CCO[C@@H]1CCN([C@@H](CC)C(=O)NN)C1	701692199	DFIDMLASYSCOMS-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cn1ccc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)n1	703474925	QAZQWYHUWZCVQE-IUCAKERBSA-N	235.243	-0.164	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COCC[C@@H]1Cl	710994873	LNAZNNZWKOGORT-NTSWFWBYSA-N	217.660	-0.560	50	10	BBGE	
Cc1nn(COCC(C)C)c(C)c1B(O)O	714518569	ROUOGCYHRMGLBZ-UHFFFAOYSA-N	226.085	-0.190	50	10	BBGE	
COC[C@](C)(CO)NC(=O)CBr	716803708	NJSBTUWSFUYZSG-ZETCQYMHSA-N	240.097	-0.105	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C(C)(C)O)C1	721835438	GTOZYSIRLRGQBZ-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
CC[C@@H]1COCC1=NNC(=O)c1cn(C)nn1	853382466	BVXLVXYZKLJDAU-SSDOTTSWSA-N	237.263	-0.043	50	10	BBGE	
C=CCNC(=O)C(=O)NN=Cc1cccnc1	1084488447	DPNVWWRDHYZVPP-UHFFFAOYSA-N	232.243	-0.166	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)CCF	1333992710	DNUROGDZZLLZPL-UHFFFAOYSA-N	219.216	-0.982	50	10	BBGE	
C[C@@H](C(=O)NNc1nc[nH]n1)c1cnn(C)c1	1457838174	SLNHATNFTCQVQL-ZCFIWIBFSA-N	235.251	-0.215	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNc1ncccn1	1540750911	GTFQRAHCLYUEQJ-SNAWJCMRSA-N	235.247	-0.436	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C[C@@H](C)O	1615562981	PLGTYSFDUVWMJR-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1ncccn1	1638289992	FFDMLBHLNOQCLB-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)C1	1641976181	GBJQPJZLBCWPBO-SECBINFHSA-N	243.307	-0.490	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cc(=O)cc[nH]1	1648832072	USJRMXUGQWKDJA-UHFFFAOYSA-N	220.192	-0.750	50	10	BBGE	
O=C1NC(=NC[C@H]2C[C@H]2Br)NC1=O	1877375015	FZATXFVHWUTDAW-QWWZWVQMSA-N	246.064	-0.628	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1C[C@H](O)CN1	1877393433	GTDXZGKDQKHULZ-XAMCCFCMSA-N	218.684	-0.547	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)[C@@H]1C[C@H]1Br	1877414390	NJYQQHDYFAFITE-RFZPGFLSSA-N	245.080	-0.041	50	10	BBGE	
N[C@@H]1COC[C@H]1NC(=O)C1CC(Cl)C1	1878152608	AGYGCELUWAZOPI-DWYQZRHDSA-N	218.684	-0.154	50	10	BBGE	
O[C@@H]1COC2(CN(CCCl)C2)[C@@H]1O	1882573704	GBDMPIYJYCTHDD-RNFRBKRXSA-N	207.657	-0.968	50	10	BBGE	
C[C@H](Cl)CC(=O)NC1(CO)COC1	1882927083	CVOLNGYQWHUPBU-LURJTMIESA-N	207.657	-0.119	50	10	BBGE	
COC1(OC)CN(C[C@@H](O)CCl)C1	1883371624	BGLOIXWZDZVHHH-ZETCQYMHSA-N	209.673	-0.109	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC=CCO	1883627070	PHUMFQLLWKUCPI-UHFFFAOYSA-N	203.625	-0.027	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@H]1C[C@@H]1Cl	1883635485	XWQLSUASZFXKOV-WDSKDSINSA-N	201.609	-0.182	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H]1[C@@H]2CO	1884047605	FDMGJXDPVJJNEP-QYNIQEEDSA-N	225.697	-0.175	50	10	BBGE	
C#CCNCCS(=O)(=O)CCCl	1886762386	XIXOKEQTKJZWQC-UHFFFAOYSA-N	209.698	-0.137	50	10	BBGE	
COC(=O)[C@H]1C[C@@H](C(=O)NN(C)C)C1	1887685585	JRKHIARNDBSZKC-KNVOCYPGSA-N	200.238	-0.222	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)S	1888554849	QUUVIUMTLAVVOZ-YFKPBYRVSA-N	226.323	-0.383	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	1888621435	HYPNAAOATVTKLY-MLKOFDEISA-N	211.290	-0.247	50	10	BBGE	
C[C@@H](CO)NS(=O)(=O)CCOCCCl	1889159300	NRBAPFYWVCMCFK-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2C[C@@H]21	1895125650	HQQHYSYGVAGWFN-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
CC1(C)C[C@@H]1OCCOCC(=O)NN	1900688332	YORSFDGNFGCEPO-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2cncnc2)C1	1902515896	NGJGNFHAGROFOQ-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
CCCS(=O)(=O)CCN1CC[C@@H](B(O)O)C1	1902529179	MNIXABQEXYUWMY-SECBINFHSA-N	249.141	-0.640	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1ncccn1	1905374867	RPZZDQRHZQLNIL-LURJTMIESA-N	243.650	-0.013	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21)C(=O)C(=O)NN	1906976139	DKVDEMUGLKETQW-XVMARJQXSA-N	247.245	-0.274	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ccncc1B(O)O)C2	1907072416	JYYULVSTWRBLCD-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
CCn1c(C)nn(CCCC(=O)NN)c1=O	1923072387	OSAPDMSCCMYNLT-UHFFFAOYSA-N	227.268	-0.857	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1927917683	XRIPYZGVYJFZPM-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	1928035296	RTFMFPVLPLFOEX-RQJHMYQMSA-N	233.293	-0.921	50	10	BBGE	
NNC(=O)CN1CCOC[C@@H]1C(F)(F)F	1930691158	NNGXAQJYXQDMAN-RXMQYKEDSA-N	227.186	-0.761	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)CC(=O)NN	1932313919	RMZGEGIQVCPWDI-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
COC1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1934069898	SCEPCYSZSTVKIE-JVHMLUBASA-N	213.281	-0.382	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C(=O)NN)[C@@H]1C	1934291715	NQCYTFIATMCDEY-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1CNC[C@H](O)C1	1934304184	AYKSAFWOWCXFMO-NTSWFWBYSA-N	241.118	-0.123	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)Cn1ccnc1	1937141474	SXTVUJOPSQFSNI-ZETCQYMHSA-N	245.666	-0.220	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2CC[C@@H]21	1938600024	NMTYWUOCVRTCOQ-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@]2(CCO2)C1	1938677971	YQPCEMUJKLTFEL-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOCC12CCC2	1941086407	RHEDXQCWDSSOIY-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CC1CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C(=O)C1	1941087981	ODIGSUIKUJJESE-HTQZYQBOSA-N	239.275	-0.603	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1941094217	WHZDTAGNGWVFFG-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941094450	MJWJAXHLQTWUAN-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CN(CCOCC(=O)NN)CCN1CCCC1	1941784386	OROPDQPZBWMKPV-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)C[C@H]2CO	1944030627	XBKCTHBOXLNCNR-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944604752	WVMPIOUBCWBWCE-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)C(C)(C)C1	1945912747	NRBIIWJMWIIGCM-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1948374123	KWNPODNDKUGORE-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CON(C)C(=O)c1ccc(B(O)O)c(F)c1	1951332139	KZCLHRNCLQCOAB-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
CN(C)NC(=O)N1CC=CC[C@@H]1C(=O)O	1961363595	XQMAIUOEVYRQOE-SSDOTTSWSA-N	213.237	-0.112	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961396842	OXQCZWLAUYHQHD-XVMARJQXSA-N	220.219	-0.109	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CCO2)C1	1961521374	VATQTHHCKCCHBO-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@H](CF)C1	1961591467	BMHQIHYOSOTDBL-QMMMGPOBSA-N	219.260	-0.573	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@H]21	1961695425	DALQBFZWSIJMFX-VXNVDRBHSA-N	204.038	-0.640	50	10	BBGE	
C=C1CON(c2ncc(B(O)O)cc2Cl)C1	1981468637	GCGMENMGMYBPGJ-UHFFFAOYSA-N	240.455	-0.277	50	10	BBGE	
CO[C@]1(C)CCN(c2nc(B(O)O)cs2)C1	1981470835	FDAVABQAAZOJQK-SECBINFHSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)CN1C[C@H](CO)C2(CCCC2)C1	1982491639	GDKXSIICMNGXMP-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
CCN(CCF)c1ccc(B(O)O)c(C)n1	1986590350	DKMYVMVAKISFQM-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
CCN(CCF)c1ncc(B(O)O)cc1C	1986592947	XHOLYBVCPPVJLH-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
O=C(Cl)C=CC(=O)N1[C@H]2CC[C@H]1C(=O)NC2	1991650324	BLCLHDBMOHMLGK-BQBZGAKWSA-N	242.662	-0.203	50	10	BBGE	
CO[C@H]1CN[C@H](CNC(=O)C=CC(=O)Cl)C1	1991653017	UOSKJGIJMKBJBR-JGVFFNPUSA-N	246.694	-0.199	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H](O)c1cnc[nH]1	1991702657	WYNYYKLHDWXXGO-QOHHWTFISA-N	243.650	-0.119	50	10	BBGE	
NC(=O)N1CC[C@@H](NC(=O)/C=C/C(=O)Cl)C1	1991703754	KJTUQMZCTBXTNV-UGQQDIOTSA-N	245.666	-0.423	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCCOC1CNC1	1993411385	SFYQWFPSWMNDOK-HTQZYQBOSA-N	247.364	-0.278	50	10	BBGE	
C[C@]12C[C@](Cn3ccc(B(O)O)n3)(CO1)C2	1993903834	ZHZQOMALDFJOBJ-AOOOYVTPSA-N	222.053	-0.868	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@]1(C)CCO	1994707649	RLXVTOVSPLSUBO-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CCC1(OC)CCC(NC(=O)C(=O)NN)CC1	1998416761	YDCNXKWYVIOVGA-UHFFFAOYSA-N	243.307	-0.170	50	10	BBGE	
NNC(=O)C(=O)N1CCc2c(F)cccc2C1	2004324679	AHWFFHMEHGFVBL-UHFFFAOYSA-N	237.234	-0.300	50	10	BBGE	
CCCc1nccn1-c1ncncc1B(O)O	2005008246	UQMVBQPAHIDVCY-UHFFFAOYSA-N	232.052	-0.705	50	10	BBGE	
CCc1cnn(-c2nc(C)ccc2B(O)O)c1	2005009871	UABNBINYOKCNJP-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](C)[C@H](F)C1	2005018243	QKSBRMVYFGYWMK-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC(O)C[C@H]2C1)C(=O)NN	2012899016	DWUHSIVZKLTOAS-IUCAKERBSA-N	241.335	-0.295	50	10	BBGE	
COCCCN(C)c1ncc(F)cc1B(O)O	2014925579	CBOKFMQJNQNYPC-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC12CCC2	2015510826	YYBDUPJAODWDEK-VIFPVBQESA-N	233.076	-0.282	50	10	BBGE	
Cc1nccc(Cn2nc(C)c(B(O)O)c2C)n1	2029102219	NVBIEFSCUICLTB-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC2(CC2)CO1	2058161003	PTWQYDNWMNEYOQ-VIFPVBQESA-N	249.075	-0.903	50	10	BBGE	
COc1cc(Cl)c(C#N)c(B(O)O)c1	2060105871	MJEFFZHKZMUBQE-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCC[C@@H]2C1	2065200178	VZTJNGFPZXEIJG-NXEZZACHSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1csc(COC[C@H]2CCOC2)c1	2211072465	MIUMSQMANJYZIB-QMMMGPOBSA-N	242.105	-0.019	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN([C@H](C)C(=O)NN)C1	2212125338	VLIDKIWLHFRWOP-VGMNWLOBSA-N	231.296	-0.900	50	10	BBGE	
C[C@@H](CO)CN(C)CC1(C(=O)NN)CCC1	2212266885	RQJJCFZFMKFFJJ-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
Cc1cnc(OC[C@@H](C)CN)cc1B(O)O	2212599868	OSAGXZZOBLLUIG-ZETCQYMHSA-N	224.069	-0.957	50	10	BBGE	
CN[C@H](C)CCOc1cc(B(O)O)ccn1	2212613010	QSGVABNYWDPOSG-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@@H]2CCCC[C@H]21	2212685324	GDIJXWRFENKEDD-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213888888	GCXSWIKOEOOEJV-LPEHRKFASA-N	247.314	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COCCn1ccnc1	2215776666	OFNUOAUIAWAAEF-NXEZZACHSA-N	238.291	-0.084	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C=CCCC2)[nH]c1	2217175468	JFNOZBTXUKPUNF-VIFPVBQESA-N	233.080	-0.654	50	10	BBGE	
OB(O)c1ccnc(NCCOC(F)F)c1F	2217187205	VERSGBFNYBHPHL-UHFFFAOYSA-N	249.985	-0.448	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCOC1	2217194493	ADBNQPSZMQCJNI-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](C[C@H](C)O)Nc1ccc(B(O)O)cn1	2217200298	JIBKLUGLGDPSFR-WCBMZHEXSA-N	238.096	-0.277	50	10	BBGE	
Cc1ncnc(OC[C@H]2CC3CC2C3)c1B(O)O	2222310836	HBTXMMNXICABML-UDNWOFFPSA-N	248.091	-0.110	50	10	BBGE	
N[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C12CCC2	2223638205	VHJSJPBGRXTRKF-VHSXEESVSA-N	247.107	-0.557	50	10	BBGE	
C#CC[C@@H](CN=c1ccc(B(O)O)c[nH]1)C1CC1	2223647555	YOSJWIWZLBENSC-NSHDSACASA-N	244.103	-0.355	50	10	BBGE	
Cc1cnc(N[C@](C)(CN)C2CC2)cc1B(O)O	2223649965	GLAAHEOYACASQQ-GFCCVEGCSA-N	249.123	-0.391	50	10	BBGE	
Cc1cnc(N2C[C@H](C)N[C@H](C)C2)cc1B(O)O	2223650587	OJAOWZPZMQJICU-AOOOYVTPSA-N	249.123	-0.744	50	10	BBGE	
Cc1cnc(N[C@]2(C)CCN(C)C2)cc1B(O)O	2223654273	ZDHVNXOEWYIXTR-GFCCVEGCSA-N	249.123	-0.424	50	10	BBGE	
Cn1cnc(CCNc2ncccc2B(O)O)c1	2223676402	APYFESMGJODMDZ-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
C=C(C)CNS(=O)(=O)CC(=C)B(O)O	2241481370	RRVDOGNLGYRWGL-UHFFFAOYSA-N	219.071	-0.950	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C	2243349915	SJYXBHMHAUZUTE-XRGYYRRGSA-N	223.037	-0.594	50	10	BBGE	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)C#CB(O)O	2243356384	GYPAOMLEFWHOMC-KXUCPTDWSA-N	223.081	-0.057	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)C1(B(O)O)CC1	2243366015	WDQAOALOGFAIJM-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)sc1B(O)O	2243378039	LPDGGQVNHFDAAX-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
CC=C1CN(C(=O)c2csnc2B(O)O)C1	2243378386	RXSHBUYBQDRGST-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
O=C(N[C@]12COC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2243381339	FIEMRYXLIDKUQS-QHOPCYEYSA-N	225.053	-0.856	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397091	VLHFKCKIJAKNJD-CIUDSAMLSA-N	229.085	-0.628	50	10	BBGE	
CON(C)C(=O)c1cccc(F)c1B(O)O	2243408389	MGERRYAHQHRDPG-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
COCC(C)(C)NC(=O)C1(B(O)O)CCC1	2243410459	BTBRINGNGWXWDG-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
CCONC(=O)c1c(B(O)O)sc(C)c1C	2243413279	CTSRLHNHQZRPMQ-UHFFFAOYSA-N	243.093	-0.274	50	10	BBGE	
CCOCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414441	AUYGBRRFGAZPCU-DTORHVGOSA-N	229.085	-0.218	50	10	BBGE	
C=C(CS(=O)(=O)NCc1ccoc1)B(O)O	2243420141	NEXWFMCBYPWUAN-UHFFFAOYSA-N	245.065	-0.733	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)CCC#N)B(O)O	2243433227	JTEGPFHOHGCBDT-QMMMGPOBSA-N	246.097	-0.834	50	10	BBGE	
Cc1ncc(CNC(=O)C2(B(O)O)CCC2)[nH]1	2247734680	VRSCNXLSSBNVBZ-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(CCOCC2)C1	2247740914	RKQMKJHEJCTCDJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
O=C(C#CB(O)O)NCCOCC1CCCC1	2247741718	DWSSCTKVDAPRAM-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2OCC[C@@H]2C1	2247742060	KCYBAWKNTXRWET-OPRDCNLKSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1cc(B(O)O)n[nH]1	2247783993	NVIGHUNWTYOPBC-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
C=C[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808257	KIYZSKAOJBAOLM-QXEWZRGKSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247810056	UHSNUSPMFRKQMD-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)C1CC(B(O)O)C1	2247810059	UJFNQICUCPNZSH-IDKOKCKLSA-N	241.096	-0.460	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2247810614	YTKGZDPAIZYZDA-XJHPQEAJSA-N	241.096	-0.223	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1F	2247853029	FKARVCYCSZEQLZ-SFYZADRCSA-N	245.059	-0.421	50	10	BBGE	
CCNC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247859729	OOFJLADPQTWDBZ-VHSXEESVSA-N	240.112	-0.550	50	10	BBGE	
CCC=CCNC(=O)c1ncccc1B(O)O	2247867719	LFHQZTVGLKTODN-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@H](N)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878291	MYUNSFMBZFSFKN-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247894772	KTOMTUYFWKOSSY-FTYOSLGDSA-N	239.080	-0.608	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C2CCC1(CO)CC2	2247897615	VJIGPPUSECRQGV-QMFGVRBNSA-N	239.080	-0.635	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCOCC1	2247898090	AJTAKAXVAPGTDR-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CO1)[C@@H]1C[C@H]1B(O)O	2247898611	GDFUKFTVNZYXBS-RRKCRQDMSA-N	249.022	-0.610	50	10	BBGE	
C[C@]1(C(=O)O)C=CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586708	GATFIFTZJCJTKX-MHYGZLNHSA-N	239.036	-0.909	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1cc(B(O)O)co1	2249410498	YUPKXTYIHQDUAT-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249428181	OAHVFTQBCFHHLT-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1cocc1B(O)O	2249434234	XMRJHGDOHTYMFB-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCCc1ccoc1)c1cc(B(O)O)c[nH]1	2255464377	VUYQDTAPIOVGJC-UHFFFAOYSA-N	248.047	-0.740	50	10	BBGE	
NC1(c2ccc(NC(=O)C#CB(O)O)cc2)CC1	2255465982	RMHSPZFPEXYSIB-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC=CCC1	2255497741	GWNWIEODRGLSRR-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@]12CCC[C@H]1C2	2255501248	FVRYGGYWSANVIS-UFBFGSQYSA-N	248.091	-0.623	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1	2255504069	GPOIJXPCYGTQFY-DIYOJNKTSA-N	248.091	-0.767	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ncncc1B(O)O	2255509520	RIFRLTAZLCLWFW-VIFPVBQESA-N	249.079	-0.973	50	10	BBGE	
CC#CCCNC(=O)c1c(F)cccc1B(O)O	2255510496	XEVPMYXOYRVMOC-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)ccc1C	2255512864	HMBJTOPJHVPKIK-NSHDSACASA-N	243.071	-0.477	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ncc(C)cc1B(O)O	2255559891	OUBHWWOGKYQHJZ-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2255565273	TXJCUGQXADHRMI-KYZUINATSA-N	249.079	-0.312	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)cc1F	2255693992	VTAJPNQDIHVSNP-JTQLQIEISA-N	249.050	-0.212	50	10	BBGE	
Cc1cc(C(=O)N2CCC2=O)cc(C)c1B(O)O	2255791546	RDOHRCPNDBPTPL-UHFFFAOYSA-N	247.059	-0.644	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@@H]1[C@@H](O)[C@H](O)C2	2297233214	FKPRSSMHZXVWCN-YYWONIAYSA-N	219.668	-0.290	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298371341	ISZYQPWNPBUHMW-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@]1(CO)C2	2299946747	YMGNQCBFQHGJSA-FTYOSLGDSA-N	239.080	-0.777	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@H](F)C1	2300052171	SLPWPWIWGIOZRI-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
C[C@H](CCN)Nc1ccc(B(O)O)cc1C#N	2301347018	WZPNKDDLFORKHH-MRVPVSSYSA-N	233.080	-0.613	50	10	BBGE	
CCc1nc(C(=O)N2CC[C@@H](B(O)O)C2)n[nH]1	2303111304	HYYPTCVAVRDCGJ-ZCFIWIBFSA-N	238.056	-0.944	50	10	BBGE	
CC[C@@](C)(COCCn1cncn1)C(=O)NN	2303421262	NAEHBLPNLPTMCM-JTQLQIEISA-N	241.295	-0.299	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)ccc1B(O)O	2309543694	ALJJNCKUCGXUPF-WYFGTUCQSA-N	244.103	-0.086	50	10	BBGE	
N[C@H]1C[C@H](COc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312614600	ZGUHBBFXIJXUEJ-PXIYARARSA-N	248.091	-0.877	50	10	BBGE	
C[C@]1(Nc2ccc(C=O)c(B(O)O)c2)CCNC1	2317349333	ASXMYAVNWLTEHH-LBPRGKRZSA-N	248.091	-0.657	50	10	BBGE	
CN(N=O)C(=O)NCCC[C@H](N)C(=O)O	5957084	QEQYAQFYVFRGQD-YFKPBYRVSA-N	218.213	-0.499	50	10	BBGE	
NNC(=O)Cn1ncc(=O)c2ccccc21	70159243	SDVXMCDKZZKWSA-UHFFFAOYSA-N	218.216	-0.614	50	10	BBGE	
COC[C@H](O)CN(C)S(=O)(=O)CCl	82513120	UYZPMWJLPDNQEC-ZCFIWIBFSA-N	231.701	-0.548	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)on1	83590821	KEISZBUXVASZAO-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
CC(=O)NNC(=O)CSC(C)(C)C(=O)O	88108318	DISWVFDTZQFGKR-UHFFFAOYSA-N	234.277	-0.250	50	10	BBGE	
C[C@@H]1CCN(CCn2cc(C(=O)NN)nn2)C1	110581363	OTHLUMAYOFDKQL-MRVPVSSYSA-N	238.295	-0.777	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C(N)=O)CC[C@H]1C	110586589	RTYLOTNNWORLLS-HRDYMLBCSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](O)CCN(C)Cc1cc(C(=O)NN)no1	135782707	IKBUECCARHRHDY-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
C=CCCNC(=O)NNC(=O)C(=O)OC	139586936	MZFIGZIYIWEXSN-UHFFFAOYSA-N	215.209	-0.934	50	10	BBGE	
CN(C)NC(=O)c1ccc(/C(N)=N/O)cc1	149700675	DAKUAQZZXVPRON-UHFFFAOYSA-N	222.248	-0.013	50	10	BBGE	
COCCNC(=O)[C@H](C)NC(=O)CCl	161793356	VVBFAVPSNOLMOP-LURJTMIESA-N	222.672	-0.508	50	10	BBGE	
O=S(=O)(CCCl)c1ccc(B(O)O)cc1	170001584	ACPSNAWXDCOWBR-UHFFFAOYSA-N	248.496	-0.621	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)cc1N	196779320	XAPSRVHRVRZIGP-UHFFFAOYSA-N	209.010	-0.875	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCCCO	227147290	PZLLSAOQUMLTCU-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)CC(F)F	231592563	VTGYNJCAFSUTRN-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
CCCOCCO[C@H](COC)C(=O)NN	232418401	XCCOJQQMJJRCKO-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
COC[C@@H](Sc1ncccc1N)C(=O)NN	232421567	FCQVXDNSJDWIPI-SSDOTTSWSA-N	242.304	-0.239	50	10	BBGE	
C[C@H]1CN(C)CCCN1[C@@H](C)C(=O)NN	235666304	SNHDVRKSBOSFRM-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	251240221	SRIIKHAHTIATKE-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C)NC(=O)C[C@@H](N)C1CCOCC1	259035490	KBTFMPKJSRDPCF-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CC(C)=CC(=O)NNC(=O)[C@@H]1COCCO1	266720927	UVBHDJXAVPJZNT-QMMMGPOBSA-N	228.248	-0.485	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1CCO	304587403	RNAZZMGMJPAZRY-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](CO)C1	306185878	APZGYKAQJDMZLJ-XVMARJQXSA-N	207.657	-0.575	50	10	BBGE	
NC(=O)[C@@H](N)CN1CCSSCC1	307274114	LPGINQPSUOUTOV-LURJTMIESA-N	221.351	-0.504	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@H](C)N)[C@H](C)Cl	308466188	GKNNVNKQQPFWOG-ZLUOBGJFSA-N	222.672	-0.381	50	10	BBGE	
CC[C@@H](O)C(=O)NNc1nncc(N)c1Cl	309294315	RCSOLTZAJXPUFX-RXMQYKEDSA-N	245.670	-0.074	50	10	BBGE	
CCN(CC)CCNCC(=O)NNC(C)=O	309969099	OPXKFEHNLXONBA-UHFFFAOYSA-N	230.312	-0.915	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1NCCN1CCOCC1	323434268	BHXZOVBVVTXXPZ-ZJUUUORDSA-N	234.727	-0.086	50	10	BBGE	
CN(C(=O)NC(=O)CCCl)c1nnnn1C	382189049	WJOHASVJRCJGSU-UHFFFAOYSA-N	246.658	-0.489	50	10	BBGE	
COCCOCCN(C)[C@@H](C)CCC(=O)NN	384112708	YGKGTBGBUFSBLB-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
N#Cc1cccc(CCC=O)c1B(O)O	396104463	VRZUWDFADQAOAK-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(CC(=O)O)c1	396135275	WWGXEMJHTTWTLE-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)CC(C)(C)C(=O)NN	399973244	JSWBCVDTKXAFTN-PWJLMRLQSA-N	249.380	-0.299	50	10	BBGE	
COC(C)(C)CN(C)C[C@@H](C)C(=O)NN	404264203	YRGCEYJVEPCXGQ-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
CC(C)[S@](=O)NCc1cc(B(O)O)cs1	404952228	WGDMEFYFIZZWNT-HNNXBMFYSA-N	247.150	-0.410	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@H]1C	584991594	CYDUETJWOARJIO-IUCAKERBSA-N	233.076	-0.153	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CO)C(C)(C)C	689788696	RITVIAPXCAZGBK-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	690067992	UAZMGNLPTIXJPK-UWVGGRQHSA-N	235.048	-0.660	50	10	BBGE	
C[C@H](CN1CC[C@H]2COC[C@@H]2C1)C(=O)NN	690723924	QCNOOCQEIJUDLJ-UTLUCORTSA-N	227.308	-0.419	50	10	BBGE	
CC[C@@H](NC)C(=O)N1CCC(O)(C#N)CC1	692009359	LOCSAXHVMKVZAX-SECBINFHSA-N	225.292	-0.139	50	10	BBGE	
CO[C@@H](CN(C)[C@@H](C)C(=O)NN)C1CC1	692217285	QAWOEUCDXPYAJC-CBAPKCEASA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC2(F)F)n1	694231095	ZFMYXQPMLKYBST-YFKPBYRVSA-N	201.969	-0.782	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nnnn1C	697710841	WYIVIRUICHJLGN-YFKPBYRVSA-N	233.659	-0.920	50	10	BBGE	
COC(=O)C[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703439859	RAZYAMAQYZZBJU-FXQIFTODSA-N	241.243	-0.146	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COCC[C@@H]2O)CC1	704254515	QPDHWUVALROWLX-ZJUUUORDSA-N	226.276	-0.513	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCC12CC2	706247912	HOHHXVAXYMROEP-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H]1CCN1C[C@@H]1CC[C@@H](C(=O)NN)O1	706913910	HOKBYYLORYGSSG-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CN(C)C1(C)CCN(CC(=O)NN)CC1	709867153	AUPWXDLXHFVYBY-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](CF)C1	711447276	JIPZXPZWBCENGS-YUMQZZPRSA-N	219.260	-0.717	50	10	BBGE	
C[C@H](CN1CC[C@@H](CF)C1)C(=O)NN	711448837	VVWBXWCOBMQOEI-SFYZADRCSA-N	203.261	-0.096	50	10	BBGE	
CCOC(=O)N1CCc2cc(B(O)O)ccc21	712134710	VWXSOVFENANHAP-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H]2C1=O)C(=O)NN	715705865	YEOSLEVHBLSCDQ-NKWVEPMBSA-N	211.265	-0.519	50	10	BBGE	
C[C@H](Br)C(=O)N1CC[C@H]1C(N)=O	757140865	CQHMQUGZXUHJJZ-WHFBIAKZSA-N	235.081	-0.144	50	10	BBGE	
O=C(CO)NNC(=O)c1nc(Cl)cs1	790919217	LKZZXIXDJJOFGR-UHFFFAOYSA-N	235.652	-0.450	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)[C@H]1CCCO1	846218605	STRNSHPVEGSFTB-JGVFFNPUSA-N	225.248	-0.137	50	10	BBGE	
CNC(=O)NNC(=O)CN1CC(C)(C)C1	847383189	CWZQQXLWYQOENV-UHFFFAOYSA-N	214.269	-0.712	50	10	BBGE	
Cn1cnc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)c1	886012095	YSEYXOBSKZIYIV-NTSWFWBYSA-N	213.624	-0.233	50	10	BBGE	
COC[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)C1	895622948	KHGJTDQFNUSBLL-BJHJDKERSA-N	249.119	-0.119	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	911503709	VQNLGWPZRFXDSR-CJDRWTNCSA-N	242.275	-0.504	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc(F)s1	1183078549	PLXBTGCGRBJJRV-UHFFFAOYSA-N	218.209	-0.360	50	10	BBGE	
NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53	1332450205	CXOOSEINYUKPPF-WVBJTGPPSA-N	204.229	-0.697	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCC=CO1)c1ccnnc1	1469120761	SWCWUFHZIQFAOX-VIFPVBQESA-N	248.242	-0.070	50	10	BBGE	
COC(=O)NNC(=O)[C@]1(C#N)CCCOC1	1558900455	QOECVPVUHFYPPY-VIFPVBQESA-N	227.220	-0.306	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H](C)CC(N)=O	1624277070	MHIHWBJSBAVGHO-QHRPWQPMSA-N	225.248	-0.190	50	10	BBGE	
O=C(CCCCCO)NNC(=O)c1cnn[nH]1	1627298403	MQGXUFFFXYYQPX-UHFFFAOYSA-N	241.251	-0.882	50	10	BBGE	
O=C(NNc1ccncn1)c1ccc[n+]([O-])c1	1627966715	CYIXYAGVVZNCEY-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
C/C(Cl)=C\C(=O)NNC(=O)c1ncon1	1639768845	IDUGTQAASUUNOH-DUXPYHPUSA-N	230.611	-0.027	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1cc[nH]n1	1640340806	HSWDLOPTSRKWOK-UHFFFAOYSA-N	235.203	-0.599	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)c1cccnn1	1644567518	KLGMGQXWGRWVNM-UHFFFAOYSA-N	236.231	-0.393	50	10	BBGE	
N#CCNC(=O)CNC[C@@H]1C[C@H]1Br	1877373343	CLSYUKHZJRRAKW-NKWVEPMBSA-N	246.108	-0.001	50	10	BBGE	
CNNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C	1880071934	ITKDRVKBSMVYBA-SSDOTTSWSA-N	247.295	-0.487	50	10	BBGE	
C[C@H]1CNC(=O)CN1C(=O)CBr	1880841206	XIADZGVKJZILBC-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
COC[C@@H](ON)C(=O)NC1CC(Cl)C1	1884413584	YFTVTVWMFORNLK-KPGICGJXSA-N	222.672	-0.222	50	10	BBGE	
C[C@H](O[C@H]1C[C@H](N(C)C)C1)C(=O)NN	1886161043	ZIZBJPSNULEBQA-FXQIFTODSA-N	201.270	-0.526	50	10	BBGE	
CCN(CCF)CC(F)(F)C(=O)NN	1886422214	AAXQESOKVFIXAP-UHFFFAOYSA-N	213.203	-0.097	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOC[C@H]1F	1886918193	RIAURVJRGIETCW-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
CO[C@H](C)CN1CC[C@](C)(B(O)O)C1	1891493405	UZCIICHDWDGHFK-BDAKNGLRSA-N	201.075	-0.040	50	10	BBGE	
C[C@H](CN(C)C)N(C)CCC(=O)NN	1893428639	FHKGYERIQPNUMT-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475376	SPYPTWIYZWTHMQ-UNTFVMJOSA-N	221.640	-0.436	50	10	BBGE	
O=C(F)N[C@H](C(=O)O)C1CS(=O)(=O)C1	1893841373	HFAVJYPZNCXHAV-BYPYZUCNSA-N	225.197	-0.837	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccn(C2CC2)c1=O	1894126530	YOWXPPKXUYTKBZ-SSDOTTSWSA-N	224.264	-0.074	50	10	BBGE	
Cn1nnc(CN2C[C@H](Cl)[C@@H]3COC[C@@H]32)n1	1894241575	DHKCEROSWBCKAO-FXQIFTODSA-N	243.698	-0.352	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@@H]2COC[C@H]12	1897227817	XIMDZHNGYFYKBK-MSGXPLJYSA-N	245.662	-0.162	50	10	BBGE	
O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@H]1O	1897228209	CSEUYCHIYJNPTJ-OOJXKGFFSA-N	247.678	-0.092	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1897969194	PBIUSBORORABKG-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)S(C)(=O)=O	1900502368	TZTKWTORATYCCG-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
C=C1CN(c2ccc(C=O)c(B(O)O)c2)C1	1901237415	JSHBEVJVTZAHLY-UHFFFAOYSA-N	217.033	-0.445	50	10	BBGE	
C[C@@H](C#N)CS(=O)(=O)N1CC[C@@H](B(O)O)C1	1902548471	MOWFLVXJHKYBSC-JGVFFNPUSA-N	246.097	-0.975	50	10	BBGE	
C[C@H]1[C@H](C)N([C@H](C)CC(=O)NN)CC[C@H]1O	1903265791	PPHXJKOIXHSDLS-XFWSIPNHSA-N	229.324	-0.154	50	10	BBGE	
OB(O)c1cc(N[C@H]2C[C@@H](F)C2)ncc1F	1905023779	DAFYMEGVDFUMLK-OLQVQODUSA-N	228.007	-0.187	50	10	BBGE	
CC[C@@H]1CCOCCN1[C@@H](COC)C(=O)NN	1913638886	FOOLOCSEGZEEDE-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1CO	1914018443	FWVSYJVBKKBSBE-GUBZILKMSA-N	241.335	-0.437	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914260605	CDHWHEHSQXLTLQ-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H](C#N)C1	1914870845	SKJITXWBTKYZAK-LPEHRKFASA-N	239.323	-0.860	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1C(F)(F)F	1916174372	PAMRJPXHAUPGNV-RITPCOANSA-N	241.213	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)CCO	1917042755	HPIYPJGPQUZZFU-VGMNWLOBSA-N	217.313	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CN[C@@H](C)C1	1921520211	HNJZQWNWDPNTMH-IUCAKERBSA-N	242.323	-0.917	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]21	1928151844	PRFNGDUPZMPORS-FXQIFTODSA-N	211.265	-0.471	50	10	BBGE	
ClCCc1nnc(Cn2cnnn2)o1	1928695376	AWXIKHKWIRXERG-UHFFFAOYSA-N	214.616	-0.114	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NCB(O)O	1931775324	JNSUAENVSAWKHL-ZETCQYMHSA-N	203.047	-0.823	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)CC(=O)NN	1932313920	RMZGEGIQVCPWDI-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CCn1cncc1CN(C)CC(=O)NN	1932589342	OEQDHKXBXZIJAT-UHFFFAOYSA-N	211.269	-0.675	50	10	BBGE	
Cl[C@H]1COC[C@H]1CNCCn1cnnn1	1933387565	VJAJQTMXENFLCW-SFYZADRCSA-N	231.687	-0.484	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CC(F)(F)C(=O)NN	1935933279	WWVGGUYCVBVLGV-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)[C@@H](F)C1	1936025287	AJNMPPASNWCYNW-NTSWFWBYSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2CCC[C@@H]21	1937413921	CYJVBJXQNZBPQY-BGZDPUMWSA-N	223.276	-0.377	50	10	BBGE	
CC(C)[C@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1937982736	YNECFBNKCZYIFY-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1CCCO1)CC1(C(=O)NN)CC1	1938246295	GRRSOUNBWHMTHK-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]1O)C[C@@H]1C[C@H]1C(=O)NN	1941083436	QRGATOAXNKDDRY-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
COCCN([C@@H](C)CC(=O)NN)[C@H]1CCOC1	1946755072	SGNBWVKIBUTIJJ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cnn(CCN2CCCCCC2)c1	1949387316	XTRQUYPRUSRVOR-UHFFFAOYSA-N	237.112	-0.561	50	10	BBGE	
Cn1nc([C@@H](N)[C@H](O)C#N)c2ccccc2c1=O	1953041786	QEJRSNASSLFREU-ZJUUUORDSA-N	244.254	-0.182	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1CF	1961513420	UKJVKJKMSDEHRD-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1(C)CC1	1961674572	DMHCKUOGVVKHDN-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
CCCCCOc1ncncc1B(O)O	1961688607	WGYAQHDYRMNSCT-UHFFFAOYSA-N	210.042	-0.275	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1962372533	GGOPBPJTKJKUGF-OXGAQCCNSA-N	233.695	-0.044	50	10	BBGE	
CC[C@@H](O)CN(CC)CC(F)(F)C(=O)NN	1977879242	WOVYGASOVDHVPB-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
C[C@H](CN1C[C@]2(CO)C[C@@]2(C)C1)C(=O)NN	1978978945	DWWHWQZSGPWIPW-MIMYLULJSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC=C(CO)CC1	1980967154	PYVUNEXMRYLHLJ-NXEZZACHSA-N	225.292	-0.763	50	10	BBGE	
Cc1ncc(B(O)O)c(S[C@H]2CCOC2)n1	1981450942	OUFIYINXBIEUKR-ZETCQYMHSA-N	240.093	-0.654	50	10	BBGE	
C[C@H]1OCC[C@@H]1Sc1ncc(B(O)O)cn1	1981454083	CTWZXKNZVOYXOP-SVRRBLITSA-N	240.093	-0.574	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CC[C@](O)(C(N)=O)C1	1985791300	XJMYEGJFMXWTJV-GMSGAONNSA-N	248.710	-0.300	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)C1COCCOC1	1994116797	VLIAIYTWFLDRFM-IUCAKERBSA-N	249.694	-0.228	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2CC[C@H](O)C[C@H]2C1	1994259373	VXDZBPBCTHKQGC-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)OC1CCC1	1996648473	ZZHBDVLOWIFYSL-UHFFFAOYSA-N	236.036	-0.138	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)CCOCC(=O)NN)C1	2001533731	BHIDAGCCBIMGCM-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCc2ncn(C)c2C1	2004041790	SOPOKZKXGZJKIF-MRVPVSSYSA-N	237.307	-0.453	50	10	BBGE	
Cn1nccc1[C@@H]1CCN(CCC(=O)NN)C1	2004399055	MFDJGCKITZKTQU-SECBINFHSA-N	237.307	-0.411	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@@H](C)COC	2004917286	AOGFBFVIZJJFLE-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@@H](C2)C1	2004930135	RGQZGERRDBGYAD-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1CCCOC1	2004954161	ZQTJLVCTVOCDNC-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
OB(O)c1cnc(N2CC3CC(C3)C2)c(F)c1	2005014408	KYXDUGSAXQEDKJ-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1cnc(N2CCCCCO2)c(F)c1	2005015118	WGDYFMFFMNTKTA-UHFFFAOYSA-N	240.043	-0.178	50	10	BBGE	
CON(c1nc(C)nc(C)c1B(O)O)C(C)C	2005015918	HNCKZWUOBMQPSM-UHFFFAOYSA-N	239.084	-0.451	50	10	BBGE	
Cc1cc(=O)n(CC(=O)NN)c(C)c1[N+](=O)[O-]	2005971856	KRKCWWQQEBELAI-UHFFFAOYSA-N	240.219	-0.637	50	10	BBGE	
Cc1nc(OC2CC(CF)C2)ncc1B(O)O	2006994479	OIGLNEMJWIADQR-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)CCCN1CCC(C2(O)CC2)CC1	2013928842	QYAQSORVCYRJAM-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@@H](CC)C(=O)NN	2014222283	RSOXDCWQUDMZAU-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)C[C@@H]1C	2019208277	FWFOHEIEPDGTOU-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
CCCCN(CC(=O)NNC(C)=O)C1COC1	2020599980	SVNOFKOFWZCEIF-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021436927	KHVVFGMYBBKNDH-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccc(B(O)O)cc1	2022197121	XUAWFDFKAMSFAZ-PSASIEDQSA-N	237.039	-0.546	50	10	BBGE	
Cc1nc(N(C)C2[C@H]3CCC[C@H]23)ncc1B(O)O	2052558115	CEHYZVIYXXIMAS-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
N#Cc1c(C=O)cc(Cl)cc1B(O)O	2060091771	IXGDDWFMAQPOAN-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
O=C(CN1CC2(CCO2)C1)NNc1ccccn1	2075108759	IHYPXGAZDWZZBE-UHFFFAOYSA-N	248.286	-0.001	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1ncc[nH]1	2077802124	LFQDTLFQMPUOGX-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1nc(NC(=O)c2ccccc2B(O)O)n[nH]1	2079008407	JBOXSUGSSFVCSB-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C1(C)COC1	2211072695	PJWZGZXWYJEMHH-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNc1cc(B(O)O)ccn1	2212601409	NOXNNFVTZUXLRF-OIBJUYFYSA-N	224.044	-0.079	50	10	BBGE	
CC(C)=CCCN=c1ccc(B(O)O)c[nH]1	2212602616	HFTXRQQFZBXZJB-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
OB(O)c1cccnc1NCc1ccon1	2212603032	MEVBHYPADHIRFP-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CC1(C)CCC[C@H](C(=O)NCC#CB(O)O)O1	2214346310	NVUCFUBXCUHWJI-SECBINFHSA-N	239.080	-0.534	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215772897	QUTYPSKNYRBZTJ-CIUDSAMLSA-N	242.323	-0.931	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1c1ccc(B(O)O)cn1	2217177672	LZBFUXPVURZYMU-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
C[C@H](CN)CCCOc1ncccc1B(O)O	2217182857	DAPUXDLJACKLEY-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
N[C@H](CCOc1ncccc1B(O)O)C1CC1	2217183528	IYCMDCGMWYPXTM-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNc1cc(B(O)O)ccn1	2217197768	QOVPMVNUEMWJEZ-BDAKNGLRSA-N	235.096	-0.971	50	10	BBGE	
CC(C)(O)CCCNc1ncccc1B(O)O	2217203921	BXLLZPBGDXGAMW-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
CN1CCC[C@H]1CCNc1cc(B(O)O)ccn1	2223631839	BJDXAJRCSXXRIN-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]2C2(O)CC2)nc1	2223643972	CMRRLWKKJJOKMA-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNCC23CCC3)nc1	2223661115	DHTFBVNBBLMIKK-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
C[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCN1C	2223673565	GKGNVAGXQUIJNI-GXSJLCMTSA-N	249.123	-0.344	50	10	BBGE	
O=C(O)CCNS(=O)(=O)N1CC(Cl)C1	2241338584	OOZFCXIAVLRWJF-UHFFFAOYSA-N	242.684	-0.782	50	10	BBGE	
C[C@]1(CO)C=CCCN1CCCC(=O)NN	2242607807	BRFHTZIDIJDASN-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
CC1(C2CCC2)CN(C(=O)C#CB(O)O)C1	2243356125	BNYFBPQOKUYTHE-UHFFFAOYSA-N	221.065	-0.350	50	10	BBGE	
O=C(Nn1cccc1)c1occc1B(O)O	2243359632	VLGMOUNMXWVHCU-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
O=C(N[C@@H](CCO)C1CC1)C1(B(O)O)CC1	2243363207	CMDHHSCKPQQESR-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)C1(B(O)O)CC1	2243364542	YTBBWPQCIFUKQE-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cs1)C(F)F	2243378636	WWAPSBCNMBGHHS-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
Cc1ccncc1CNC(=O)C#CB(O)O	2243400573	DFDACQBILCKNGW-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]1CF	2243408874	WWIYXVBSYXWCCQ-SSDOTTSWSA-N	227.000	-0.857	50	10	BBGE	
Cc1cc(C(=O)N2CC=CC2)sc1B(O)O	2243409840	PUFZREDFIRWBAK-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
CC(C)(F)CNC(=O)c1cc(B(O)O)cs1	2243420558	VKKUYXYOMIKWKG-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOCC12CC2	2243420629	WMRUTZHWRKDFSG-SFYZADRCSA-N	225.053	-0.759	50	10	BBGE	
CC(C)OC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243426126	FGYULMFKZRSDIA-DTWKUNHWSA-N	227.069	-0.515	50	10	BBGE	
C#CCCC(=O)Nc1ccnc(B(O)O)c1	2243666018	XWQNDMZCKAVNLZ-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C=CCCC(=O)NCc1cnc(B(O)O)s1	2243669194	SYWUHOZXQFBAAU-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
O=C1CN(CCN2CC[C@H]3C[C@H]32)CC(=O)O1	2245440177	HLXWZUOXUNAFJW-DTWKUNHWSA-N	224.260	-0.534	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1ccoc1B(O)O	2247741402	ZEGYHWJOVLNIGF-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
O=C(NCC=CC1CC1)c1cc(B(O)O)c[nH]1	2247746517	AECWLJDZLVUQNC-UHFFFAOYSA-N	234.064	-0.610	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1	2247756549	MXDHUUVHZCWNML-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247758957	XUIDLHDPIGRCLU-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1F	2247787866	VWANVMTVRKQLSV-UYXSQOIJSA-N	245.059	-0.565	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790997	KMEGDOKNSKDUGU-OCAPTIKFSA-N	237.068	-0.415	50	10	BBGE	
CCC(CC)N(CCO)C(=O)[C@@H]1C[C@@H]1B(O)O	2247797329	INOIALRCRTWMLW-ZJUUUORDSA-N	243.112	-0.141	50	10	BBGE	
CC1(C)CNC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247797445	JRWRFKIBMYYVEG-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@@H]1COC2	2247799900	JJFSKDNGRZFOLF-QCLAVDOMSA-N	239.080	-0.371	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](O)C[C@@H](F)C1	2247800416	OUUMUOXESFRWCB-YNTFGVKOSA-N	245.059	-0.829	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)C1CC(B(O)O)C1	2247801098	WYPBXNHLQKZXQK-HZUXAKDWSA-N	239.080	-0.325	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]1CCCO	2247806280	DVPJKNVUEBGVJG-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808610	VNRPHVNXYIYDMG-ZJUUUORDSA-N	236.080	-0.154	50	10	BBGE	
Cc1cnc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247809517	PWBPYPHTPMWPSL-YUMQZZPRSA-N	237.068	-0.461	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2247868409	FZRUFORXHFDYFG-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccsc1B(O)O	2247872513	TVCKVKSYRSYHIZ-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@H](C)F	2247873531	CZGCVACEBOCSMK-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1CNC2)C1(B(O)O)CCC1	2247879243	RZBIPDANNVTHRF-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CCC(CC)(CO)NC(=O)C1CC(B(O)O)C1	2247892486	BNLOPZKNTSAWSM-UHFFFAOYSA-N	243.112	-0.093	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247895847	BTHZIRMCDTXKBE-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897520	UHSNUSPMFRKQMD-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)ccc1O	2248031513	BYEUTLWTWKZNDH-ZETCQYMHSA-N	235.048	-0.624	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248579264	YZXQBVUJTMEVFK-ACZMJKKPSA-N	243.068	-0.535	50	10	BBGE	
O=C(NCC=C(F)F)c1ncccc1B(O)O	2248597870	DLONIBBGOSQAIW-UHFFFAOYSA-N	241.990	-0.728	50	10	BBGE	
COC[C@]1(C)C[C@H]1Nc1ccc(B(O)O)cn1	2248708658	RWLYKRXVQMIPII-KOLCDFICSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccccc1B(O)O	2249304949	BSNBKTLCTKGBRU-MRVPVSSYSA-N	239.055	-0.204	50	10	BBGE	
CN1C[C@@H](CN2CCC(B(O)O)CC2)CC1=O	2249347919	TVNOROSGVPZDFV-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
CCC1(F)CN(C(=O)c2cc(B(O)O)co2)C1	2249433001	GMSGPQCURWBYEY-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
Cc1nnccc1CNC(=O)C1(B(O)O)CC1	2251561005	QWFOYBOGYPWPPX-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
C#C[C@H](NC(=O)c1ccoc1B(O)O)C1CCC1	2255469530	QGKICMNHPWDKBF-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ncccc1B(O)O	2255516847	QLNNWSXSOFQDRK-GFCCVEGCSA-N	246.075	-0.707	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cncc(B(O)O)c2)CC1	2255528649	BLPHZHSOKFXFIY-LLVKDONJSA-N	246.075	-0.400	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255576484	GSSLGXPPXXVLLD-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
Cc1cccc(C(=O)N2CCCOC2)c1B(O)O	2255735028	LKZQTEQCCPVZMY-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2298004729	JSLALOXLBUXWDO-PORUNHMFSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CNC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368836	AAPUAPHBCFBIKG-QEYWKRMJSA-N	240.112	-0.789	50	10	BBGE	
CCC[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369356	ROALFOVKASTVRV-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ncon1	2298371323	HSMKCDGGNHETTJ-RRKCRQDMSA-N	239.040	-0.848	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@@H](C1)C2(F)F	2298371788	VZEAKQXKILQCFJ-ULAWRXDQSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299770276	RGWBSAMNPGJJJK-FYLLDIAZSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCCCCCC(=O)NN	2300627913	IUXBPXTYEQDIHS-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
N[C@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2301419508	PYORNPXOUGOWFG-WDEREUQCSA-N	234.064	-0.920	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1ccc(B(O)O)cn1	2312614488	QWLNMCVZYHOMKB-OINDSLJFSA-N	248.091	-0.734	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469332	BDUFBYMFKHFDTA-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469333	BDUFBYMFKHFDTA-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@H]2CO)on1	110591852	GQSCRCCLXDZSRL-ZETCQYMHSA-N	240.263	-0.765	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)[C@@H](C)COC	110594868	LWYUHAKGMGXVTH-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
C[C@H](CNC(=O)NC(=O)CCl)[S@@](C)=O	135302468	OGWJKSCYWUEQFS-YYNRFHATSA-N	240.712	-0.182	50	10	BBGE	
CN(C)NC(=O)C1(/C(N)=N/O)CCC1	149698789	IAXCSDKSSLXTAC-UHFFFAOYSA-N	200.242	-0.504	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	166155685	VZGJHPWXQJCJQT-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](N)C2)c1	203224819	PZROKAXZWBJSDN-QMMMGPOBSA-N	224.264	-0.584	50	10	BBGE	
C[C@@H]1CS(=O)(=O)CCN1C(=O)CCl	218358844	OGNZDSOCHVALGQ-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@H](C)Br	229037284	UPFFGDXIORKNFJ-WDSKDSINSA-N	240.097	-0.107	50	10	BBGE	
CO[C@H]1CCN(Cc2ccccc2B(O)O)C1	234901958	IHUBKXWBKCAYKP-NSHDSACASA-N	235.092	-0.413	50	10	BBGE	
NC1(c2ccc3c(c2B(O)O)OCO3)CCCC1	258444799	UQKYYSLBMUZFPJ-UHFFFAOYSA-N	249.075	-0.177	50	10	BBGE	
COC1(C(=O)O)CCN(C(=O)NN(C)C)CC1	304348264	CCWMAVHRLAGCBV-UHFFFAOYSA-N	245.279	-0.262	50	10	BBGE	
Cn1[nH]c(CNC(=O)CCl)cc1=O	306988963	GSPBRJOXHRGWPN-UHFFFAOYSA-N	203.629	-0.432	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@H](CO)C1	307087791	LPKHSIQPQZBILE-CIUDSAMLSA-N	218.684	-0.208	50	10	BBGE	
NNC(=O)c1csc(CN2CCC2)n1	307148310	IPIKMBXNHPBECY-UHFFFAOYSA-N	212.278	-0.048	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NCCBr	307738471	IBNDNMJIRKZHPI-WHFBIAKZSA-N	225.086	-0.794	50	10	BBGE	
COC1CN(Cc2ccc(C(=O)NN)o2)C1	380524352	BACDAYKGXJQYFE-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
NNC(=O)/C(=C/c1ccccc1)NC(N)=S	381027015	YHKWUCQLKMPMHA-VURMDHGXSA-N	236.300	-0.149	50	10	BBGE	
CCCN=c1ncc(C(=O)NN(C)C)c[nH]1	390678432	WMNRKTPIHDWKCA-UHFFFAOYSA-N	223.280	-0.073	50	10	BBGE	
CC1(O)CN(Cc2ccc(CC(=O)NN)cc2)C1	394970031	MWJUOSHHSDIMGP-UHFFFAOYSA-N	249.314	-0.214	50	10	BBGE	
CN(CCOCCO)[C@H](C(=O)NN)C(C)(C)C	395664741	FRRKUWLGNUPVMA-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
COc1cc(B(O)O)ccc1CCC=O	396036365	ZMBDPGGWJGIVAY-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
OCc1csc2c(O)ccc(B(O)O)c12	396345800	PXCPQCHKPAJOPL-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1c(O)ccc2sc(B(O)O)cc12	396379910	IWAASOAHUDDTIY-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C)(CO)CC1	402743302	JKAUOBDBKDMIKK-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(CN1CCN(CCF)CC1)C(=O)NN	402804231	YLCFXKWCGKILTA-UHFFFAOYSA-N	246.330	-0.410	50	10	BBGE	
N#CC1(O)CCN(Cc2nc[nH]n2)CC1	694674815	UBHLBKCMZADJEM-UHFFFAOYSA-N	207.237	-0.345	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C[C@H](C)O	695080368	WPFPPXWJZZYNEM-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
C[C@@H](CN1CC(N2CCCC2)C1)C(=O)NN	697801727	VKQFYPJBBHGGOL-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CCOCCOc1cc(B(O)O)ccc1OC	700786235	UDZUXOCOYFSFMF-UHFFFAOYSA-N	240.064	-0.210	50	10	BBGE	
CNNC(=O)CNC(=O)c1cccc(F)c1	704666442	AOJRUDLRCUDWGE-UHFFFAOYSA-N	225.223	-0.194	50	10	BBGE	
CCN1CC[C@H](NC(=O)CCl)C1=O	708641062	JFVAMGZCLBIPAN-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CSC[C@@H]2C1	711525787	NEQIRIZZUKRNTR-YUMQZZPRSA-N	215.322	-0.339	50	10	BBGE	
COCC(C)(C)Cn1cc(B(O)O)cn1	712623925	AEIJBZGSGSBXBJ-UHFFFAOYSA-N	212.058	-0.765	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CCCOC1	727725927	AEOXZEIJJVOKET-DTWKUNHWSA-N	242.275	-0.261	50	10	BBGE	
O=C(NNC(=O)C1CCOCC1)c1cc[nH]n1	855362741	UJRYLQRRMPFYQH-UHFFFAOYSA-N	238.247	-0.403	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCC(=O)N1	855933356	HTIVLFPXJFBHQW-FUOZMLNRSA-N	237.259	-0.175	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H](C)NC(N)=O	862501193	CDHPPFBRZHUQMX-ZETCQYMHSA-N	237.263	-0.688	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)Cc1cccnc1	900572686	HMRKOKOVPOSKMJ-GQPNGRKGSA-N	249.270	-0.292	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1ccncn1	1449875342	OFSJFTGVJUTBHW-AIYRYJHASA-N	208.221	-0.143	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	1526855464	BCOPQRSQRYSSIO-JGVFFNPUSA-N	230.264	-0.262	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cn[nH]c1	1533774376	TXNHTAKWAVFHDK-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CCCNC(=O)NNC(=O)CCc1cnn[nH]1	1625886983	YKIGWTCRMOYOSY-UHFFFAOYSA-N	240.267	-0.522	50	10	BBGE	
O=C(CCCc1nn[nH]n1)NNc1ccncn1	1635933609	BDBCWKHZLVIAKG-UHFFFAOYSA-N	248.250	-0.544	50	10	BBGE	
C[C@H](Cl)CNC(=O)c1ccc(B(O)O)cc1	1866098880	CARADUDAICJNDP-ZETCQYMHSA-N	241.483	-0.277	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1Br	1877355895	IQJQCPBKTBZWIG-JKUQZMGJSA-N	247.092	-0.226	50	10	BBGE	
O[C@H]1CN(C[C@@H]2C[C@H]2Br)C[C@H]1O	1877485739	PEEDTWZMIQMLNC-FKSUSPILSA-N	236.109	-0.193	50	10	BBGE	
O=C(Nc1nn[nH]n1)[C@@H]1C[C@@H]1Br	1881354255	WRQUFKIAUHIQAX-GBXIJSLDSA-N	232.041	-0.078	50	10	BBGE	
CN(C[C@]1(O)CCOC1)C(=O)CCl	1882690650	OVOOQWBDEFVRNE-MRVPVSSYSA-N	207.657	-0.165	50	10	BBGE	
O=C(NNCCO)C1CC2(COC2)C1	1884434076	LZGJRKXGBMOLJU-UHFFFAOYSA-N	200.238	-0.974	50	10	BBGE	
CC(=O)N[C@@H](C)c1cscc1B(O)O	1886862576	MGSFWVCONVRHPK-YFKPBYRVSA-N	213.067	-0.375	50	10	BBGE	
O=C1C[C@H](C(=O)NC[C@H]2C[C@H]2Cl)CN1	1893088393	LSEXMYKEZMKIKN-DSYKOEDSSA-N	216.668	-0.134	50	10	BBGE	
CN1CC[C@@H]1COC[C@H]1CC[C@@H]1C(=O)NN	1899507564	ANYKLTBWJPGSNH-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1n1cccc(B(O)O)c1=O	1901178087	JMSBGTRDDWIZMB-HTQZYQBOSA-N	221.065	-0.255	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2CC(F)(F)CO2)C1	1902528275	FVVNEDBOVQOMMX-SFYZADRCSA-N	235.039	-0.041	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC(=O)N2CCC2)C1	1902551873	UNHSECNBIUJUMI-JTQLQIEISA-N	226.085	-0.843	50	10	BBGE	
CC(C)N1C(=O)CN([C@H](C)CC(=O)NN)C1=O	1906941780	DGJXSTHSCYNGHE-SSDOTTSWSA-N	242.279	-0.573	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC2)C[C@H]1CO	1907168420	FQAJMCXPERNGCA-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
O=C(NC[C@H](O)C(=O)O)NC1CC(Cl)C1	1909273094	SUTDDUIMYCBHKF-WRVKLSGPSA-N	236.655	-0.499	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CC(O)C1	1914601479	QPZOAHGUSBCMBH-UHFFFAOYSA-N	213.281	-0.788	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H](C#N)C1	1914870413	PTXMPASXGMWRBF-NXEZZACHSA-N	239.323	-0.860	50	10	BBGE	
COC(=O)[C@H](CN)N1CC=C(C#N)CC1	1917108207	GRRPFGAFPBFFAM-VIFPVBQESA-N	209.249	-0.358	50	10	BBGE	
CC[C@]1(F)CCN([C@H](COC)C(=O)NN)C1	1925549934	ALXWFOUAHBABQS-SCZZXKLOSA-N	233.287	-0.185	50	10	BBGE	
CCN(CCOCC(=O)NN)CC(F)F	1928180559	CEFDMNTXPUWNPZ-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@@H](CC1=O)C2(F)F	1931861816	ZHSZKUUKJVYFSS-UHNVWZDZSA-N	219.191	-0.910	50	10	BBGE	
CC(C)(CN1CC(CCO)C1)C(=O)NN	1932108032	KABBVECAIXSYML-UHFFFAOYSA-N	215.297	-0.683	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CCO)C1	1932108226	MJCJRTOVKQIWSS-QMMMGPOBSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1CCCOC1	1932290005	JIOIGOWHCRTTIU-LURJTMIESA-N	224.207	-0.193	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](C)C1	1932370910	GOIIQKMWJSETEO-BWZBUEFSSA-N	219.260	-0.719	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCO2)C1)C(=O)NN	1932812795	STXWFTAJONKYCT-PSASIEDQSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC1(C)C)C(=O)NN	1934006118	YEISFEFHIQRKBA-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1938377003	XDXGTWXZQRZGLB-AATLWQCWSA-N	227.308	-0.687	50	10	BBGE	
Cc1cn(C[C@H]2C[C@H]2C(=O)NN)nc1[N+](=O)[O-]	1941085746	FRDSJAUUWHKZBW-RNFRBKRXSA-N	239.235	-0.274	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941087229	WCFOVCGAWYBITG-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1941094948	QBSHKVVPZYOYPC-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1CC[C@H]2O	1941289955	CFPHREQBCSTHMW-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1N(CCOCC(=O)NN)C(=O)CC1(C)C	1942887757	VSMKSMLJHDHIQL-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
CCC[C@H]1COCCN1CCC(=O)NN	1961276965	LWQPNTWUMJLVKY-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
COCCOc1nccc(C)c1B(O)O	1961697682	YDGVTKPVUFQCPE-UHFFFAOYSA-N	211.026	-0.905	50	10	BBGE	
CN1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1964511272	YQCAUTSNUQHGDY-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
CCN(CCO)CCC(F)(F)C(=O)NN	1975104870	VHAJSGPDAKZABK-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
C[C@]12CN(CCCC(=O)NN)C[C@@]1(CO)C2	1978981377	XHZKAJMVKHVBAP-WDEREUQCSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1C	1981163178	MCMFENLGKXYWGR-HXFLIBJXSA-N	225.292	-0.131	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@@H](C(=O)NN)C(C)(C)C	1985570886	DHPWFENOMJKHKR-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
CN1CC[C@@H](CNC(=O)C=CC(=O)Cl)C1=O	1991655265	UDILKXSIJFBYGS-ZETCQYMHSA-N	244.678	-0.098	50	10	BBGE	
CC[C@@H](O[C@H]1CN2CCC1CC2)C(=O)NN	1992113583	LVGRTWOYBIBEPT-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
C=C(CO[C@H]1C[C@H](n2cnnc2)C1)B(O)O	1992153640	QOEGFTSEOZNZQQ-KYZUINATSA-N	223.041	-0.434	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2CC[C@H](O)C[C@@H]2C1	1994259372	VXDZBPBCTHKQGC-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C3(CCC3)C2)CC1	2000816013	ZCBVCCRBQUQNRR-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@](C)(C#N)C1	2004358378	IXQHRIGKEAENLF-KOLCDFICSA-N	240.307	-0.383	50	10	BBGE	
CCC(CC)Oc1ncc(B(O)O)c(OC)n1	2004935113	VVXZCWITXINPFA-UHFFFAOYSA-N	240.068	-0.268	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1c1ncccc1B(O)O	2004936194	WFHVZWMXCRAGLQ-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
NNC(=O)c1occc1CN1CC(F)(CO)C1	2005080146	NKEBYQTZKLYMGX-UHFFFAOYSA-N	243.238	-0.601	50	10	BBGE	
CCOCc1nccn1[C@H](COC)C(=O)NN	2011271677	MBKFANQZHKEIDS-MRVPVSSYSA-N	242.279	-0.403	50	10	BBGE	
CC[C@@H](OC1CC(n2cnnc2)C1)C(=O)NN	2012099585	MDOZPYTXBDSKCM-AMDVSUOASA-N	239.279	-0.233	50	10	BBGE	
COC[C@H]1C[C@H]1Cn1nc(C)c(B(O)O)c1C	2015874752	BPWOFRMUUPHIAC-VHSXEESVSA-N	238.096	-0.538	50	10	BBGE	
C=C(CN1C[C@@H]2C(N(CC)CC)[C@H]2C1)B(O)O	2021159713	XUMSMFACOIEYEN-QWRGUYRKSA-N	238.140	-0.173	50	10	BBGE	
Cc1cc(OCC2CN(C)C2)cc(B(O)O)c1	2022091048	MWVXNUKCIIWRCG-UHFFFAOYSA-N	235.092	-0.385	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCc2ccco2)n1	2052495145	WVLHUKHLPGMUEK-UHFFFAOYSA-N	248.047	-0.055	50	10	BBGE	
COc1ccc(B(O)O)c(C=O)c1Cl	2060132585	HLDZQOIDKRXPBR-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
O=C(CCc1cn[nH]c1)N[C@H]1CCC=C1B(O)O	2076076038	JPOWXXCCFWOGKG-JTQLQIEISA-N	249.079	-0.441	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H]3COC[C@H]32)cc1	2077844052	LVXPSFGYLYXNHJ-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@@H]2C2CC2)c1B(O)O	2079937632	YUQHYTDQUDTXPP-NXEZZACHSA-N	248.091	-0.110	50	10	BBGE	
CN(CCC(=O)NN)c1cccn(C)c1=O	2210281800	RJDXDDVIPZKPKS-UHFFFAOYSA-N	224.264	-0.799	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@@H]2C1	2211719330	BGXYEZYCRFBPPT-OFIRDVTFSA-N	245.706	-0.329	50	10	BBGE	
C[C@H](CN1CC(OC(F)(F)F)C1)C(=O)NN	2211915498	QYPIGZOPHDLKFN-RXMQYKEDSA-N	241.213	-0.167	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1C[C@@H]2C[C@@H]2C1	2212279598	GGXUACFLXFQDNK-ILWJIGKKSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(B(O)O)ccn1	2212601200	KICBGIXHJNIEFC-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
CC[C@@](C)(CO)Sc1ncc(B(O)O)cn1	2212601895	VMYOFIZQGJJDEF-VIFPVBQESA-N	242.109	-0.591	50	10	BBGE	
OB(O)c1cnc(NC2CC3(CC3)C2)nc1	2212603987	SYFRTYPUVFCGFT-UHFFFAOYSA-N	219.053	-0.489	50	10	BBGE	
CNC(C)(C)CNc1ncccc1B(O)O	2212610587	LJFSJDCFWBKBHJ-UHFFFAOYSA-N	223.085	-0.829	50	10	BBGE	
OB(O)c1ccc(N2CC=CCCC2)nc1	2212610609	LSRMNZVNSWXLHT-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC(C)C1(O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215774792	FGYKZAUBQMFSBP-ZJUUUORDSA-N	241.335	-0.295	50	10	BBGE	
CC(C)C12COC(CNC(=O)C(=O)NN)(C1)C2	2216371534	HVRZJMCJVIAAMS-UHFFFAOYSA-N	241.291	-0.702	50	10	BBGE	
C[C@]1(CO)CCCN1c1ncccc1B(O)O	2217172776	MJOMPPYLBHBUAI-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CC(C)[C@](C)(CN)Oc1ccc(B(O)O)cn1	2217189034	XFVSUJBNMYGFHA-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CCO[C@H]3C2)c1	2223628959	SFIHBRLNEYKQHF-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCOC[C@@H]21	2223639273	QKWRWHVKWXONOC-AEJSXWLSSA-N	248.091	-0.544	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@@]3(O)C2)cc1B(O)O	2223648083	GYIBKAWQAYZIBR-JOYOIKCWSA-N	248.091	-0.969	50	10	BBGE	
CCO[C@@H]1C=CCN(c2ncccc2B(O)O)C1	2223670517	ZDHJAXUHQHQBOE-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3NCC[C@@H]23)c1	2223674550	LQFABEIKOZKXFR-INTQDDNPSA-N	247.107	-0.829	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncccn1	2223680211	ZRHULAWLTHGHJZ-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
C[C@H](CO)CNS(=O)(=O)N1CC(Cl)C1	2241338964	UXUUTCANYUPCTM-LURJTMIESA-N	242.728	-0.628	50	10	BBGE	
C=C1CON(S(=O)(=O)N2CC(Cl)C2)C1	2241353129	CMAHVJJPDKYGHO-UHFFFAOYSA-N	238.696	-0.042	50	10	BBGE	
O=C(C#CB(O)O)NCCCCCF	2241468208	JBAWQHJZEBIEND-UHFFFAOYSA-N	201.006	-0.742	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1COC(=O)C1	2242586927	JBDRYCGWKOHSQK-BYPYZUCNSA-N	220.612	-0.634	50	10	BBGE	
CC[C@H]1CC(=O)N(C(=O)C#CB(O)O)[C@@H]1C	2243357573	YOLQONOSQNTANP-SFYZADRCSA-N	223.037	-0.825	50	10	BBGE	
CCC[C@H]1C[C@@H](NC(=O)C#CB(O)O)CO1	2243362230	NYQBJFOZCNCCTG-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
COC1CC(CNC(=O)C2(B(O)O)CC2)C1	2243364940	FMTFMFOVNHTPDG-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243378814	ZSUIRKRFIRYUOS-SSDOTTSWSA-N	225.053	-0.204	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243383292	WPCIUXBOYWLIHA-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@@H](F)C1	2243397965	LXDHDJKBZWBURB-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
Cc1cc(N)ccc1NC(=O)C#CB(O)O	2243399040	JKQSEBPXXJDCML-UHFFFAOYSA-N	218.021	-0.469	50	10	BBGE	
C=C1CC(CO)(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243403656	AQJHTXFWIXATKH-JGVFFNPUSA-N	225.053	-0.953	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H]1CC[C@@H]1C)B(O)O	2243412980	WYNCRQXIGAAYCS-IONNQARKSA-N	247.125	-0.385	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)sn2)C1	2243414771	HYBBAJGXZZGCOX-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C(NCc1cocn1)[C@H]1C[C@@H](B(O)O)C1	2243415469	VMMXHENUCGVZCD-KNVOCYPGSA-N	224.025	-0.456	50	10	BBGE	
Cc1oncc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243426049	DFVAEJVBJXSXSC-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
C[C@H](CCN)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243701537	DUHNASXVKAAPSS-HRDYMLBCSA-N	228.101	-0.660	50	10	BBGE	
Cc1nc(N(C)[C@@H](C)CF)ccc1B(O)O	2244148045	ICOVOWIDUKGTHH-ZETCQYMHSA-N	226.060	-0.136	50	10	BBGE	
C[C@H]1C[C@@H]1S(=O)(=O)N1CCC(B(O)O)CC1	2244170811	LONQSVDWBRAACK-CBAPKCEASA-N	247.125	-0.337	50	10	BBGE	
COC1CC2(C1)CC(N(C)CC(=O)NN)C2	2244387609	QTQOGAKMNYDGGC-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOC2(CNC2)C1	2245018228	MWVJQJZDNVSKDV-UHFFFAOYSA-N	244.678	-0.491	50	10	BBGE	
CN(C)CC1(NC(=O)C2(B(O)O)CCC2)CC1	2247733649	CITAUJMHMVSNRS-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2247739275	ZUSIHRHQLLBLDB-UHFFFAOYSA-N	234.064	-0.467	50	10	BBGE	
C#CCN(C(=O)c1ccoc1B(O)O)C1CC1	2247740194	HMBUOSBRQXZJAD-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)c(F)c1	2247748083	XNSCMSOIGOMXBM-UHFFFAOYSA-N	235.023	-0.234	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C	2247760072	BEBZAIVJEMADQW-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)cn1C	2247762279	CWAIPBYJRVPUTO-QMMMGPOBSA-N	236.080	-0.671	50	10	BBGE	
C[C@H]1CN(C(=O)c2cncc(B(O)O)c2)[C@H]1C	2247770902	RSWRWFFHXMJTIW-YUMQZZPRSA-N	234.064	-0.758	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cncc(B(O)O)c1	2247771554	MITVQFMBAIYQJW-JTQLQIEISA-N	234.064	-0.614	50	10	BBGE	
CC(C)CN(C)C(=O)c1ccc(B(O)O)cn1	2247771885	YXEDLRBHSRWRMW-UHFFFAOYSA-N	236.080	-0.511	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1n[nH]cc1B(O)O	2247783832	LPXZEYRGUQKRCV-JTQLQIEISA-N	237.068	-0.992	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1F	2247787867	VWANVMTVRKQLSV-XAVMHZPKSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCC12CNC2	2247792279	RZQJEMDXMCONQQ-DTORHVGOSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@]1(F)CCCNC1)[C@@H]1C[C@H]1B(O)O	2247793474	XZKOBRAUKDASQO-MRTMQBJTSA-N	244.075	-0.943	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1CCNCC1	2247798717	WNMUUSVKSNOISE-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)C[C@H](N)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247803368	ASWNWWPTLJDJOY-XHNCKOQMSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H](NC(=O)c1c[nH]nc1B(O)O)C1CC1	2247803700	CSPSIGQORGLHTJ-QMMMGPOBSA-N	237.068	-0.992	50	10	BBGE	
C[C@](N)(CNC(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2247809778	RGZFJUWWHBBSNT-NGZCFLSTSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850761	SKYCBDBJGUDBBA-OIBJUYFYSA-N	236.080	-0.435	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](CNC1)C2)[C@@H]1C[C@H]1B(O)O	2247859703	OFNDJOBUOKJIQY-TURQNECASA-N	238.096	-0.892	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2247872303	PYUSSDLGDNVPPS-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
C[C@H]1CN(C(=O)c2occc2B(O)O)C[C@H]1F	2247875052	RYQKNVJOWMIZDC-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)C1(B(O)O)CCC1	2247877251	DZFCLFVUIKERHK-VIFPVBQESA-N	241.096	-0.316	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOC2(CCC2)C1	2247898810	HXUQBPURVGCALW-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1CO	2247899791	QBUCCNOHMVFMFR-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](NC(=O)C(F)F)c1cccc(B(O)O)c1	2248414013	DDODBDLVTFPGSR-ZCFIWIBFSA-N	243.018	-0.191	50	10	BBGE	
Cc1ccc(NC(=O)C[C@H](C)O)cc1B(O)O	2248433579	MYKGCNRSPXGMRD-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CC(C)CC[C@H](NC(=O)C#CB(O)O)C(=O)O	2248573413	DPWFMASRSSXOHS-QMMMGPOBSA-N	241.052	-0.993	50	10	BBGE	
CC[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248575707	HKUUCBONKMIKRB-JTGULSINSA-N	241.052	-0.781	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccnnc1	2251577187	RTAJLDLYVSYOTP-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
CCC1(C)CN(C(=O)c2ccncc2B(O)O)C1	2255444293	JLJSUMKHTWHCMK-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255461109	CJBTXYZYGRJICP-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255475341	XOEZFNRTJZHARO-KHQFGBGNSA-N	248.091	-0.387	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)oc1B(O)O	2255580479	DCEWQAPVIMLOCA-MBTKJCJQSA-N	249.075	-0.204	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ccc(B(O)O)cn1	2255674181	KQZFFWMRHFIZPY-VIFPVBQESA-N	247.063	-0.817	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@@H]3C[C@H]3C2)c1	2255730788	UDIUQBCJTYRMDB-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
Cc1cnn(C2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C2)c1	2255764883	IUNKBZYRRNDDFI-ZJUUUORDSA-N	249.079	-0.562	50	10	BBGE	
O=C(N[C@@H]1CCn2ccnc2C1)[C@H]1C[C@@H]1B(O)O	2255773397	MCSUWWIGBQLCBI-VGMNWLOBSA-N	249.079	-0.823	50	10	BBGE	
C#Cc1c(NC(=O)C2CC(B(O)O)C2)cnn1C	2255805282	NWIDQORXDUMVMQ-UHFFFAOYSA-N	247.063	-0.407	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2cocc2B(O)O)C1	2258146868	GFTUFUDMCSRJOT-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@@H]1CO	2298165894	DZPRMSJRQBUYHS-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369363	RRSCOKMUWQMSJS-QCBRBAQYSA-N	238.096	-0.811	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369641	ALFSNMJAACSXTE-SJQPAMGKSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)[C@@H]1C[C@H]1B(O)O	2298371500	MTUMFEZGRFLSTJ-SJQPAMGKSA-N	238.096	-0.892	50	10	BBGE	
COc1ccn(CC2(C(=O)NN)CC2)c(=O)c1	2298954742	KGPLJDPVAKFIQL-UHFFFAOYSA-N	237.259	-0.373	50	10	BBGE	
CC[C@@H]1C[C@@H]1CC(=O)N[C@H](CB(O)O)C(=O)O	2303581974	DADCKMYPYJCCGF-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303837381	ZTHRZGLMNRAKCW-JTQLQIEISA-N	234.039	-0.276	50	10	BBGE	
OB(O)c1ccc(OCC2=CCCOC2)nc1	2307270453	ALJDMADUWJUTES-UHFFFAOYSA-N	235.048	-0.513	50	10	BBGE	
C=CCC(CC=C)NC(=O)c1cc(B(O)O)n[nH]1	2313522548	NDJUFRBRAYATJT-UHFFFAOYSA-N	249.079	-0.660	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H]1CO	2317150057	ADWQHHKWJKRMNJ-KCJUWKMLSA-N	246.075	-0.579	50	10	BBGE	
C[C@@H](CCO)CNc1ccc(B(O)O)cc1C#N	2317152069	XXWBTKZXUFIAAO-VIFPVBQESA-N	248.091	-0.332	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCCO2)cc1B(O)O	2317311278	NLDMLFHXYJPGJT-NSHDSACASA-N	249.075	-0.230	50	10	BBGE	
CCCNC=C(C#N)C(=O)N1CCNCC1	2324210018	GYWLELJJZQMVJU-UHFFFAOYSA-N	222.292	-0.175	50	10	BBGE	
CCCC(=O)NNC(=S)NC(C)=O	8569017	LYXUIFYEGBTGOD-UHFFFAOYSA-N	203.267	-0.172	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CCS(=O)(=O)C1	40166943	MCBPLPIHIOXWFD-SSDOTTSWSA-N	235.309	-0.803	50	10	BBGE	
C[C@H](CNCc1ccncc1)C(=O)NN	58851068	FBVQGYKDXKBEBY-MRVPVSSYSA-N	208.265	-0.203	50	10	BBGE	
CS(=O)(=O)Cc1ncc(C(=O)NN)s1	82416582	WKJLYJOJWRMUFU-UHFFFAOYSA-N	235.290	-0.709	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCc1ccncc1	82468117	QQVAJWZZPNULCP-SECBINFHSA-N	222.292	-0.066	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)C1CC1	82470832	UOFSGLFKDWEOEB-SECBINFHSA-N	215.297	-0.542	50	10	BBGE	
CS(=O)(=O)N1CCO[C@H](CCl)C1	88097200	NAEBJCWHUJYXPL-ZCFIWIBFSA-N	213.686	-0.114	50	10	BBGE	
O=c1ncc([N+](=O)[O-])cn1C[C@H](O)CCl	128682746	IQEMLCXUHZSTPR-ZCFIWIBFSA-N	233.611	-0.249	50	10	BBGE	
CCCN(C)c1cnn(CC(=O)NN)c(=O)c1	160035474	DICHRWKIKSLDSJ-UHFFFAOYSA-N	239.279	-0.921	50	10	BBGE	
CC(C)(C)[C@H]1CC(=O)N(CC(=O)NN)C1	167304367	MHVSLVAMHRYLAX-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
[O-][n+]1c(Cl)cc(B(O)O)cc1Cl	207658341	ZWTUARZZBDVBJS-UHFFFAOYSA-N	207.809	-0.693	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1CNC(=O)C1	229035990	XDFMKKVTPYGHBU-WHFBIAKZSA-N	235.081	-0.226	50	10	BBGE	
O=C1CN(CCN2CCSCC2)CC(=O)O1	230946784	JVTPRRCPCCSSLE-UHFFFAOYSA-N	244.316	-0.579	50	10	BBGE	
CCOC(=O)c1cncc(B(O)O)c1Cl	238275050	RLOYAIQTTQGHGN-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H]1CO	251185274	IAOYUZVUTQJNMF-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@H](C)[C@H](C)C(=O)NN	252608967	SRPRGPSUFQASSP-DJLDLDEBSA-N	242.323	-0.789	50	10	BBGE	
COC(=O)N1C[C@@H]2C(=O)OC(=O)[C@H]2[C@H]1C	253486362	WNDOKIJVJFYFNY-SRQIZXRXSA-N	213.189	-0.227	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)[C@H](C)C1	300909646	OPEJOZIOVBYEKE-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CONC(=O)NNC(=O)C(F)(F)F	306927279	SVFJDFOPYMBSFQ-UHFFFAOYSA-N	201.104	-0.560	50	10	BBGE	
O=C(CCBr)N[C@H]1COC[C@@H]1O	307632982	QPJOUCXTNCAKDS-WDSKDSINSA-N	238.081	-0.353	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1CCCC(=O)NN	309778889	KCMKNRGVKXLTRF-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CNC(=O)C(C)(C)NS(=O)(=O)CCl	312830627	YSBFHCKUMOQNLR-UHFFFAOYSA-N	228.701	-0.373	50	10	BBGE	
C[C@H](CN1CCC[C@@H](CO)CC1)C(=O)NN	382154097	QQSIBRBYBYTWLZ-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1[C@@H](N=C=O)CCCN1S(=O)(=O)N(C)C	384253579	NJOXYEUUMWZETO-IUCAKERBSA-N	247.320	-0.019	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@H]2COC[C@H]21)C(=O)NN	384791973	XLICKVJCYSQNAR-KXUCPTDWSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)C(=O)C(=O)NN	384960427	SDSNXRJGQAETSM-VQVTYTSYSA-N	215.253	-0.999	50	10	BBGE	
CC(C)(CCNC(=O)C(=O)NN)C1CC1	392920719	JMPVWONTZTVMJB-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
CN1CCNC[C@H]1C(=O)NCC(Cl)Cl	686918118	ITLPIXQZJMCDPK-LURJTMIESA-N	240.134	-0.190	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)CCC(=O)NN	687462372	PIGCBDJJQJNFKW-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@](C)(CO)COC	689813565	YWWQXKISZYGMEA-WCBMZHEXSA-N	233.312	-0.916	50	10	BBGE	
N#CC1(O)CCN(C/C=C/C(=O)O)CC1	692168104	RQDBAQNLCGHJPB-OWOJBTEDSA-N	210.233	-0.022	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CO)C1	694661394	LILFXFKJNOHKLN-XKSSXDPKSA-N	215.297	-0.685	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](CO)C1	695085319	CEZMAWKSBQVNPP-NXEZZACHSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1ccccc1B(O)O	703517500	MUVMRSISRZNVDW-CABZTGNLSA-N	236.076	-0.082	50	10	BBGE	
CN(C[C@@H]1CCCS1(=O)=O)C(=O)NN	710664523	RHEUDDDZDLMOMI-LURJTMIESA-N	221.282	-0.921	50	10	BBGE	
CCNC(=O)N1Cc2cccc(B(O)O)c2C1	713272223	ZQBJWQFNNGEZIJ-UHFFFAOYSA-N	234.064	-0.589	50	10	BBGE	
O=C1CCCCN1c1ccc(B(O)O)cc1	716784753	TVGRMKJKQINBGM-UHFFFAOYSA-N	219.049	-0.117	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)CBr	717369656	ZCKMXLJINLXBJQ-LURJTMIESA-N	239.113	-0.580	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718288609	GUSKPFQBBCPOFA-XHNCKOQMSA-N	227.308	-0.136	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCC(=O)NN)CCO1	721487065	ZEFZCHOSKCATNZ-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](OC)[C@@H]1CCOC1	854408873	BNAMPJAEQLEWHN-SFYZADRCSA-N	246.263	-0.233	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2OCCC23CCC3)n1	888081792	UEQPCEADLOCUFM-VIFPVBQESA-N	236.080	-0.478	50	10	BBGE	
C[C@]1(C(=O)NNc2nc[nH]n2)CCNC(=O)C1	1183623366	AYTGGKKGNBUXNT-VIFPVBQESA-N	238.251	-0.836	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cocn2)n[nH]1	1469428301	MNIDKVAYVMSHNT-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
C[C@@H](C#N)NC(=O)c1ccc(B(O)O)cc1	1616285840	QZZJMJFVSZBNHQ-ZETCQYMHSA-N	218.021	-0.992	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)Cc1cc(C)[nH]n1	1639991098	UYUIJPGBIAFRNG-QMMMGPOBSA-N	249.274	-0.042	50	10	BBGE	
O=C(NC[C@@H](O)CO)[C@@H]1C[C@@H]1Br	1877347951	SLUIBFJRBJYPPR-PBXRRBTRSA-N	238.081	-0.761	50	10	BBGE	
C#CCNC(=O)CNC[C@@H]1C[C@@H]1Cl	1883552134	LQDAPRPBCORADR-YUMQZZPRSA-N	200.669	-0.047	50	10	BBGE	
NC(=S)NNC(=O)C1CC2(COC2)C1	1884441509	YRCCHDGZODZCQE-UHFFFAOYSA-N	215.278	-0.723	50	10	BBGE	
C[C@@H](CCl)NC(=O)CCn1cnnn1	1884661974	BKIQGOSPROKPSJ-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
C[C@H](CO)NS(=O)(=O)CCOCCCl	1889159299	NRBAPFYWVCMCFK-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCCC1=O	1893838342	WPUUBGYNOGQCAF-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
N#CC1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	1895941870	YRLDXBKLFWTBRB-WCBMZHEXSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1[C@@H](C(=O)NN)C(C)(C)C	1896032039	HWVPUVXZKWAFJT-VGMNWLOBSA-N	229.324	-0.154	50	10	BBGE	
ClC[C@@H]1COCC[C@@H]1NCCn1cnnn1	1896885284	VXVWKVWRVKBLHC-BDAKNGLRSA-N	245.714	-0.093	50	10	BBGE	
CCc1nnsc1CN(C)[C@@H](C)C(=O)NN	1899832882	HVOJDTWVKSTKCW-LURJTMIESA-N	243.336	-0.089	50	10	BBGE	
C#C[C@@H]1N(CC(=O)NNC(C)=O)CC1(C)C	1899904935	WXCOXEYYEIMUPV-VIFPVBQESA-N	223.276	-0.503	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	1900376745	NRIXSKWUCFVQKH-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
CN(NC(=O)C1CNC1)S(=O)(=O)C1CCC1	1901348870	QCTDRVVKGHSFKW-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC1CC(N)C1	1901374507	VCUBELHJZFJLJY-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)[C@]12CC[C@@H]1CCN2)S(C)(=O)=O	1901377205	LGHWQPFHFHTLQU-APPZFPTMSA-N	247.320	-0.949	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902521027	FBUQSSRQZOCYJS-IWSPIJDZSA-N	227.069	-0.656	50	10	BBGE	
CNC(=O)CCCN1CC[C@](C)(B(O)O)C1	1902541545	PSTZXZDQCCAUBO-JTQLQIEISA-N	228.101	-0.549	50	10	BBGE	
N#CC1(O)CCN(C2(C(=O)O)COC2)CC1	1903617425	OBKDAFKEVLECNQ-UHFFFAOYSA-N	226.232	-0.810	50	10	BBGE	
CO[C@@H]1CN[C@@H](CN2CCC(O)(C#N)CC2)C1	1906685029	FVQQJGFPHFOBRB-MNOVXSKESA-N	239.319	-0.286	50	10	BBGE	
C[C@H](O)C1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908357898	KRKGXPAQAOWSHF-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C)S1(=O)=O)C(=O)NN	1912292374	HPDRJCOKQUSHIA-NKWVEPMBSA-N	235.309	-0.964	50	10	BBGE	
Cn1nc(O)cc1C(=O)N[C@H]1COC[C@@H]1Cl	1913097854	AKWKJFGEJGPXSA-WDSKDSINSA-N	245.666	-0.138	50	10	BBGE	
C[C@@]1(C(=O)Nc2ncccc2B(O)O)C[C@H]1F	1913596976	ZHMUUZLAGMRENX-GMSGAONNSA-N	238.027	-0.552	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CC(C)(C)C(=O)NN	1914259039	ZGHXXEPALPZTBI-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ccnc(B(O)O)c1	1924098546	NNWPPWBLTKQASJ-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)CC2(CC2)C1	1926025148	XABLKAARCFYIPS-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
CN1CC(N(C)CC(C)(C)C(=O)NN)C1	1928161598	XTWORPUPTCAGAX-UHFFFAOYSA-N	214.313	-0.752	50	10	BBGE	
O=C(CCl)N1CCS(=O)(=O)CCO1	1928681826	JFCJORYKZIEHTJ-UHFFFAOYSA-N	227.669	-0.586	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1ccc(B(O)O)n1	1930302308	YMTGBKWINBJBGW-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CCS1(=O)=O	1930853866	SEMAHJIVVGCLHJ-LURJTMIESA-N	225.697	-0.081	50	10	BBGE	
C[C@@H]1CCS[C@H]1C(=O)NCB(O)O	1930909833	ZQBDMBDDKYTOQF-PHDIDXHHSA-N	203.072	-0.744	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)C1CCC1	1936089395	VDQSLXPERKWISO-WCBMZHEXSA-N	227.308	-0.541	50	10	BBGE	
CN(C)CC(C)(C)CN(C)CCC(=O)NN	1936155965	PAZWHVXXBLZUJI-UHFFFAOYSA-N	230.356	-0.114	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2OCC[C@@H]2C1	1938636363	MKCHXMBZCKZGEN-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C[C@H]1C[C@@H]1C(=O)NN	1941085271	CDRCKSVGJYOZLJ-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CCCN1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941088016	OIVLSSQZOQILGJ-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@@H]3C[C@@H]3C2=O)O1	1941672609	ULSJQWOXKFRLFB-UYXSQOIJSA-N	239.275	-0.998	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(CC2(C(=O)NN)CC2)C1	1945891340	KIYZMPTYKHXJHX-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
O=C(NCB(O)O)c1snnc1C1CC1	1951322178	XGKSKQKCKRWTCM-UHFFFAOYSA-N	227.054	-0.843	50	10	BBGE	
CCn1nnnc1CNC(=O)CCCl	1956729809	QHJRSENHJJABEK-UHFFFAOYSA-N	217.660	-0.062	50	10	BBGE	
CO[C@@H]1CC(OCC(=O)NN)C[C@H]1OC	1957610456	BVQYMTDSKGOUPB-HTQZYQBOSA-N	218.253	-0.815	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C[C@@H](C)C1	1958494860	NZGYIHFOCWOZAV-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1959194145	DOJUKIDALDIIAW-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1959881861	SVSRKOSNCVTFFL-STNDOWJSSA-N	218.996	-0.594	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@H]1CO	1960270197	UVAWTVDXNIKQTI-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CCC1	1961691002	LSHJDQIRXHRLLZ-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
Cn1nncc1S(=O)(=O)NCC#CCCl	1974780342	QNTVMFVESQWJKE-UHFFFAOYSA-N	248.695	-0.664	50	10	BBGE	
C[C@@H](CN1CC[C@@H]1c1ncon1)C(=O)NN	1976762110	XMZCNZNOGCJFLF-NKWVEPMBSA-N	225.252	-0.558	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@H](O)C1	1980521940	VSAJAMDTXBLSGM-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H](C)N1CC(N2CC(=O)OC(=O)C2)C1	1980549231	SHSYRRFFCISYKR-MRVPVSSYSA-N	226.276	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOc2ncccc21	1981044165	WNZJMEBUTMZNDM-SSDOTTSWSA-N	222.248	-0.341	50	10	BBGE	
CC(C)(CCN1CCO[C@H]2C[C@H]21)C(=O)NN	1981143519	MBPCWIWQJXWITC-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
Cc1nccn1-c1ncc(B(O)O)cc1F	1981465554	NXNYGRHMZJWOMU-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
Cc1nc(N(C)C2CSC2)ccc1B(O)O	1981472953	VRZPCNOHIAPWLR-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C[C@H](COCCC(F)(F)C(=O)NN)N(C)C	1984129000	XPAXPYHKHQOHLO-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@H]1C(F)(F)F	1986757298	MNAPLVUVIOAHJK-CRCLSJGQSA-N	239.197	-0.319	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O	1991679678	LYOSXMKJOLEUKZ-VYMHUAPZSA-N	245.706	-0.186	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@@]2(CO)C1	1992491379	VGGMUZSEWYYOER-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](OCCO)C1	2001033456	IKALYYANECCVBA-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
C[C@]12CN(CC3(C(=O)NN)CC3)C[C@@]1(CO)C2	2001045972	LLSQOUYRGKKNKX-CMPLNLGQSA-N	239.319	-0.539	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)CC12CC2	2003759485	QTFCYKPRXWKDQZ-VIFPVBQESA-N	241.291	-0.857	50	10	BBGE	
CCN(CC)CCN(C)C[C@H]1C[C@H]1C(=O)NN	2003814911	ZDNZHVDADPWQRR-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
Cc1nc(Sc2nccn2C)ccc1B(O)O	2004991404	QQYGMFOAWYIFKC-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@@H](C)C1	2005015613	COXWSJGDAVLNHU-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
COc1nc(N2C[C@@H](C)[C@@H]2C)ncc1B(O)O	2005017715	JIJUEWOIDKZOFK-RQJHMYQMSA-N	237.068	-0.990	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@@H](CCO)C1	2005060630	LYTFYDCNUPAZIU-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CN(C)C(=O)C1CN(CC(C)(C)C(=O)NN)C1	2008307276	DVUFEAQWRYBKGF-UHFFFAOYSA-N	242.323	-0.978	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)CC(C)(C)O1	2008482792	VFRNKVGYIYAJMU-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CO[C@]1(CNC(=O)NN(C)C)C[C@H](C(=O)O)C1	2009338113	XJXAGZRDOIHJTH-WKFQBHICSA-N	245.279	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC=C[C@H]2CO)C1	2010835800	SHLRIELJBKOYJN-MXWKQRLJSA-N	239.319	-0.375	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC2(CC(O)C2)C1	2013328610	LAFNHPMMIALBNM-SQLBVSGCSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2COC[C@H]2C1	2019213022	UJBQFDYSOXMOOT-NXEZZACHSA-N	241.291	-0.878	50	10	BBGE	
COc1nc(OC[C@H]2C[C@H]2C)ncc1B(O)O	2022578063	CWLCDAORVVWTLO-RNFRBKRXSA-N	238.052	-0.800	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC12CCC2	2052466173	GUWXERGTTJSMIQ-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ncc(B(O)O)cn1	2052469929	XDPCPWXUMQJSJH-QXEWZRGKSA-N	247.107	-0.361	50	10	BBGE	
CCOc1cc(F)cc(B(O)O)c1OC	2060112063	FIAMAWQQIBWPNT-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccn2cnnc2c1	2067872968	NQSIFKHXDNQXOU-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
Cc1nc(NC(=O)C2(C)CCC2)ncc1B(O)O	2069484871	NPQKZBWICXNLQM-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2[C@H](O)C[C@H]2C1	2210213114	IQXFHVWBVBWWJN-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C=C(CCN)COc1ncccc1B(O)O	2212603477	GSBKRVYMSDVEBY-UHFFFAOYSA-N	222.053	-0.955	50	10	BBGE	
C[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2212605856	LBRBMRXYOTVVBB-SSDOTTSWSA-N	224.044	-0.253	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H](O)[C@H]1CC2	2216254258	YMBJCVMYKNZPCY-LXUNUROVSA-N	241.335	-0.011	50	10	BBGE	
C[C@@H](O)C1CN(CC2(C(=O)NN)CCCC2)C1	2216873015	VGGMRIHCJYJFTD-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@](CO)(Nc1cc(B(O)O)ccn1)C1CC1	2217177454	JFUDISIHUIMETF-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H](O)C2CC2)c1F	2217179502	LLFHILXYZXMWDU-MRVPVSSYSA-N	240.043	-0.917	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cn2)CCC[C@H]1O	2217180895	LPLXBJRJNDGACX-MWLCHTKSSA-N	236.080	-0.523	50	10	BBGE	
C[C@]12C[C@](Nc3ccc(B(O)O)cn3)(CO1)C2	2217181561	RSEGUQILNPJRRR-XYPYZODXSA-N	234.064	-0.505	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC=CCC2)[nH]c1	2217198887	HPSCVKCLIAJAOQ-SECBINFHSA-N	233.080	-0.654	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]2C(F)(F)F)nc1	2217201154	OJAXKACWBWNAQU-PHDIDXHHSA-N	246.985	-0.481	50	10	BBGE	
CC1(C)C[C@@H](O)CN1Cc1cccc(B(O)O)c1	2220070455	HKRJRZUAFHPYTC-GFCCVEGCSA-N	249.119	-0.288	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2222844853	XAKIAXIQLFKUJA-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
CN(C[C@H]1CCCNC1)c1ncccc1B(O)O	2223640804	YOCZSWXUVOGYJD-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H]2CC[C@H]1O2	2223653708	UNSWPBFBWXFMHK-INTQDDNPSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCNC3(CC3)C2)c1	2223654970	UWBLLHRKCBWEIN-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CC1	2223668803	BLAATZYSAMMGFO-HOMQSWHASA-N	249.123	-0.309	50	10	BBGE	
CN(C[C@H]1CCCCN1)c1ccc(B(O)O)cn1	2223671493	MTIBBVOCXYBJOJ-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@@H]2C1	2224024962	KQKCLDNAUHFNBP-BBBLOLIVSA-N	248.091	-0.641	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C(F)F	2241559069	KPSDOCCSDNAWQE-UHFFFAOYSA-N	221.981	-0.974	50	10	BBGE	
C[C@H](CCl)C(=O)NC1CC(O)(CO)C1	2241592767	RAZYUVYPRCPHPD-SXJRXYEXSA-N	221.684	-0.137	50	10	BBGE	
COCCN(C[C@@H](C)O)S(=O)(=O)CCl	2242095457	VEPDHLLAOPMNOH-SSDOTTSWSA-N	245.728	-0.158	50	10	BBGE	
CCC[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2243347855	RCCZDQAJERQWLH-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
Cc1nc(=NC(=O)C2(B(O)O)CCC2)s[nH]1	2243348553	ZKKRWPQYIVHEGX-UHFFFAOYSA-N	241.081	-0.396	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](C(F)(F)F)C1	2243362446	RAEZPZGRBRFSHY-LURJTMIESA-N	234.970	-0.587	50	10	BBGE	
O=C(NCc1cc[nH]n1)[C@H]1C[C@@H](B(O)O)C1	2243382983	TXZJHOGMWUUUQN-KNVOCYPGSA-N	223.041	-0.721	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383224	VXSKUHRQEJHHIY-HLTSFMKQSA-N	224.069	-0.143	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392946	YJJIPXBHSFKJSS-KZVJFYERSA-N	226.085	-0.907	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC[C@H](C)C1)B(O)O	2243412931	WIUBIYXVLOLELA-CBAPKCEASA-N	247.125	-0.337	50	10	BBGE	
O=C(NCc1cnsn1)C1CC(B(O)O)C1	2243413753	MSSUTHHEECDEHP-UHFFFAOYSA-N	241.081	-0.593	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)[C@@H]1C[C@@H]1B(O)O	2243419776	GIEMPWOXGJSDHU-XAVMHZPKSA-N	227.069	-0.874	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427130	QWJXSFHKNQNBNW-GHCJXIJMSA-N	227.069	-0.467	50	10	BBGE	
CSC1CC(CN(C)C(=O)C#CB(O)O)C1	2243695867	YUOJZATWJSRBLA-UHFFFAOYSA-N	241.121	-0.398	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCC12CC(CO1)C2	2245195093	YWWMJIGTLWQAIU-GWMJWBFUSA-N	226.276	-0.192	50	10	BBGE	
CC(C)(F)CCNC(=O)c1coc(B(O)O)c1	2247732539	HDYMZIMUDFJHPE-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CC=CC1	2247737429	GMBKXPGHUOXDLF-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccncc1B(O)O	2247737793	JZMLCGGYGLGTKP-MRVPVSSYSA-N	232.048	-0.933	50	10	BBGE	
CC[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247743004	XNIRABACLQGTCO-QMMMGPOBSA-N	237.064	-0.122	50	10	BBGE	
CCC1(CNC(=O)C#CB(O)O)CCOCC1	2247744460	SUURSAQWAZOMQU-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
CCC/C=C/CNC(=O)c1cc(B(O)O)n[nH]1	2247784320	SNHSSCNTMNNMJZ-SNAWJCMRSA-N	237.068	-0.824	50	10	BBGE	
O=C(N[C@@H]1CC12CC(O)C2)[C@H]1C[C@@H](B(O)O)C1	2247786953	IYDZIVUTYHCIKM-FUEUGIDQSA-N	239.080	-0.731	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790848	JUKWWCVDAIUGHT-AEJSXWLSSA-N	242.128	-0.175	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247796750	CHVATCSPXIAWBY-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CCC[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247797903	OFNPOQMPLVJWIC-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
Cn1cc(NC(=O)[C@@H]2C[C@H]2B(O)O)ccc1=O	2247806442	NEDSJKAFKSQITA-HTQZYQBOSA-N	236.036	-0.813	50	10	BBGE	
O=C(N[C@H]1CNCC12CC2)[C@H]1C[C@H](B(O)O)C1	2247807627	IPWMUAMHUUUVDZ-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1C	2247809315	OXCPGTSYUUZHDR-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=C[C@@H]1CF	2247847959	FBQMIBJBLZLSDD-SSDOTTSWSA-N	239.011	-0.691	50	10	BBGE	
O=C(Nc1cnsc1)c1ccc(B(O)O)cn1	2247866107	GQJBVEVBEATWDI-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COCC[C@@H](COC)NC(=O)C1(B(O)O)CC1	2247874191	KDTAKPKNSZABNW-QMMMGPOBSA-N	245.084	-0.839	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)cn1C	2247874297	PVSUWHUAUAHTLD-UHFFFAOYSA-N	242.059	-0.864	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)NC	2247879228	RRCZPMRCMCJMFN-SSDOTTSWSA-N	242.084	-0.976	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1B(O)O	2247886484	BYYUEDISVXQRSU-AQWCXSTCSA-N	239.080	-0.779	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)co1	2247886943	IDUJKLMAGVAARN-BDAKNGLRSA-N	238.052	-0.196	50	10	BBGE	
C[C@@H]1OC2(C)CC1(NC(=O)[C@H]1C[C@H]1B(O)O)C2	2247900809	ZVGSHTCSSNYESS-XBBXFZJSSA-N	239.080	-0.325	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2248575033	XWXCTYYYBVDDFB-WCTZXXKLSA-N	241.052	-0.924	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1CNC(=O)C1(B(O)O)CC1	2248588698	GWMNGACNOOVPOG-NKWVEPMBSA-N	241.052	-0.780	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(CCC2)C1	2249411469	RRFNLEHDUOAOAI-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
Cc1ccc(B(O)O)cc1COC1(C)COC1	2250792723	VYUNDQCOIDCUMK-UHFFFAOYSA-N	236.076	-0.020	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2253136817	DRUMIJPJQRQSHE-DKXJUACHSA-N	243.068	-0.535	50	10	BBGE	
CCCn1nccc1CN(C)C(=O)C#CB(O)O	2255465607	MTGDJJXQYCWILL-UHFFFAOYSA-N	249.079	-0.733	50	10	BBGE	
O=C(N[C@@H]1CCc2nccn2C1)C1(B(O)O)CC1	2255491645	ZOOVRBNQVHTMGM-MRVPVSSYSA-N	249.079	-0.679	50	10	BBGE	
Cc1cccc(C(=O)N2C[C@H]3C[C@H]3C2)c1B(O)O	2255513547	TWKSVZUREKNTSC-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255529167	FQUCRAYZHQPRHY-ZYHUDNBSSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1CCC12CCC2)c1c[nH]nc1B(O)O	2255555000	UXRRLJDAQCFPKH-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32)[C@H]1C[C@@H](B(O)O)C1	2255562222	RUMIZDFBWFZZEE-KBLFYERNSA-N	247.103	-0.134	50	10	BBGE	
O=C(NCCCc1ccccn1)[C@H]1C[C@@H]1B(O)O	2255565964	WTETWYBLVSOIFO-QWRGUYRKSA-N	248.091	-0.007	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1cncc(B(O)O)c1	2255714927	YAKNSVKXVYEMNK-LLVKDONJSA-N	246.075	-0.400	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ccncc1B(O)O	2255728282	CUGZUIMVVQATAG-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@H]21	2255729754	ACGMBKFNWPXEHI-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC[C@H]2C[C@@H]21	2255892947	MPJWTBIOEGETRZ-KWQFWETISA-N	246.075	-0.008	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1C=CCC1	2257487400	MHJCEVBICXKBLX-SNVBAGLBSA-N	246.075	-0.482	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258121852	UUZZYQQNYYYEAP-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2cc(B(O)O)co2)C1	2258129080	UZWLIKDRLUPJOZ-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
C[C@@]12CC[C@@H](Nc3ncc(B(O)O)cn3)[C@@H]1C2	2298224649	VKCNXTDKBQTHND-NGZCFLSTSA-N	233.080	-0.243	50	10	BBGE	
O=C(NCCC[C@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2298368567	LYVGTNLQDYUVFC-LPEHRKFASA-N	241.096	-0.218	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370106	OYOSERVIAWFKOG-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2298371096	ZWCUXUWQWHWPQU-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@@H]2C[C@H](C1)O2	2300371045	LTAKVQLCRZZPGI-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
Cc1ncc(B(O)O)c(N(CCF)CCF)n1	2301661896	XWPLVMHJNYLOJV-UHFFFAOYSA-N	245.038	-0.790	50	10	BBGE	
OB(O)[C@H]1CCN(CCCO[C@H]2CCOC2)C1	2303105306	NEHBUJXKGJOWFU-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
CCn1cc(CN2CC[C@](C)(B(O)O)C2)nn1	2303124101	LOAXAHCXXBVILG-JTQLQIEISA-N	238.100	-0.263	50	10	BBGE	
N#C[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303847021	BILZZWWRPSATKU-SSDOTTSWSA-N	235.027	-0.750	50	10	BBGE	
CN(C[C@H]1O[C@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2307467861	BJYGYVRXMDXYDA-LPEHRKFASA-N	237.064	-0.972	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@H]2O1	2312848001	DRJORRUNUNKYRA-PPRSSJNSSA-N	249.075	-0.974	50	10	BBGE	
C[C@@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2312851841	WGOCCEFBOIHASH-GDPRMGEGSA-N	248.091	-0.008	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H]3NCC[C@@H]32)CC1	2313132785	DVPOIHCULSUTID-VWYCJHECSA-N	249.314	-0.139	50	10	BBGE	
CN[C@H]1C[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317351334	GRMSUKWBYNJUNX-JGZJWPJOSA-N	249.075	-0.692	50	10	BBGE	
OB(O)c1cc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1F	2320801096	FUNYFZDUJUDGGV-XCPWMJQPSA-N	249.050	-0.066	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2[C@@H](O)C3)c1	2325334908	PZVIVPHDMWDDGL-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccsc1	61371225	KZDFFJXBMWNJCY-YFKPBYRVSA-N	213.262	-0.085	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)[C@H](C)CO1	82467602	NKZVINZIQKLVAX-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	82468594	VDHVTMQWGMUMKS-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CC#N)CC#N	86313323	QNOOHLRADSCPOV-HTQZYQBOSA-N	209.253	-0.650	50	10	BBGE	
Cn1cnn(C[C@@H](O)CBr)c1=O	156264007	CLGKFPLULUNJES-YFKPBYRVSA-N	236.069	-0.662	50	10	BBGE	
CN(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	167565809	RJIGZCFPCYGNMP-NTSWFWBYSA-N	240.712	-0.338	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H]1CCCN1)B(O)O	213693121	OFTDJSJGSZPHQD-RKDXNWHRSA-N	228.101	-0.575	50	10	BBGE	
CC[C@@H](N)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228744027	UKLOBLRTOKQKPK-VGMNWLOBSA-N	247.364	-0.006	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1c1nnc(CCl)o1	235672016	RKZDFGMHKBYLDK-SCSAIBSYSA-N	244.638	-0.340	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)C(F)(F)F	238630703	BZQVAWPFTUWDNH-ZETCQYMHSA-N	218.971	-0.072	50	10	BBGE	
C[C@H]1C[C@H](OCC(=O)NN)C[C@@H](C)O1	252795129	ZYBCVBFFZASSGN-RNLVFQAGSA-N	202.254	-0.051	50	10	BBGE	
NNC(=O)c1cnc2ccc(Cl)nn12	306903867	SSTVUGRHGQFQJC-UHFFFAOYSA-N	211.612	-0.014	50	10	BBGE	
NNC(=O)N1CC[C@@](O)(C(F)(F)F)C1	307532978	NBYOCIBKESETGR-YFKPBYRVSA-N	213.159	-0.431	50	10	BBGE	
CC(=O)NCCN(C)CCCCCC(=O)NN	308308587	PSJGXJRWMXERGT-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(CCN(C)C2)C1	310553476	XFLPRNBSPATARY-PWSUYJOCSA-N	240.351	-0.218	50	10	BBGE	
O=C(CO)NN=Cc1cc(C(=O)O)cs1	380262750	SFWKLCYAZABUQW-UHFFFAOYSA-N	228.229	-0.111	50	10	BBGE	
O=C(CCl)NC(=O)NCCCn1cnnc1	381932003	RJPJUWAOPNGAAT-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
C[C@H]1[C@H](N=C=O)CCCN1S(=O)(=O)N(C)C	384253578	NJOXYEUUMWZETO-DTWKUNHWSA-N	247.320	-0.019	50	10	BBGE	
N[C@H](CC(=O)O)SS[C@@H](N)CC(=O)O	388785837	IOBWQSXKJLGKMX-ZXZARUISSA-N	240.306	-0.113	50	10	BBGE	
C[C@H](O)CN(C)Cc1nc(C(=O)NN)cs1	393286397	URKAYGIGEUYMGQ-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnns1	400047277	XAHSPRKYTWPPFD-UHFFFAOYSA-N	229.309	-0.260	50	10	BBGE	
COC[C@H](O[C@H](COC)C(C)C)C(=O)NN	404139484	YJRTZNWCUMWPNP-BDAKNGLRSA-N	234.296	-0.321	50	10	BBGE	
COc1cc(B(O)O)c(F)cc1[N+](=O)[O-]	575708151	KKWLWWBEXKJDHZ-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@]1(O)C[C@@H](NCc2ccccc2B(O)O)C1	585045740	GOCOMWLWFDSFEW-KLPPZKSPSA-N	235.092	-0.631	50	10	BBGE	
C[C@@H](N)CSCC(F)(F)C(=O)NN	685958160	REQFXBPUPMOSJI-SCSAIBSYSA-N	213.253	-0.308	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@H](C2CC2)C1	694830663	WCFKSIDMVYJOEX-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
Cc1ccc(CN2CC3(COC3)C2)cc1B(O)O	697131195	MFWQLXQEXBJZKF-UHFFFAOYSA-N	247.103	-0.493	50	10	BBGE	
OB(O)c1cnn(CC2C[C@@H]3C[C@H]3C2)c1	698020090	YYPCXIMYBGTJRQ-RKDXNWHRSA-N	206.054	-0.391	50	10	BBGE	
CCO[C@@H]1CCN([C@@H](C)C(=O)NN)C1	701693085	NFTGCQJGVSENKA-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703508663	YNOOPPLDXFLJJO-XHNCKOQMSA-N	242.323	-0.659	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2CCOC[C@H]2Cl)n1	706687499	WBINEYIEOXZKGH-RNFRBKRXSA-N	244.682	-0.059	50	10	BBGE	
NNC(=O)c1ccoc1CN1C(=O)COC1=O	709009516	BBUYGTYOBGXZKA-UHFFFAOYSA-N	239.187	-0.638	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2C[C@@H]2C1=O	715552955	WUOLDAILIMMUJN-CBAPKCEASA-N	246.270	-0.337	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@@H](C1=O)C2(F)F	715571127	WXZMKVXRLPSHHG-XPUUQOCRSA-N	247.245	-0.130	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1	720837457	FAMMVQLITSWUGQ-LSJOCFKGSA-N	236.080	-0.480	50	10	BBGE	
C=C(C#N)[C@@](O)(C(=O)OCC)c1ncnn1C	725374926	VOZFZZRGGSQAET-JTQLQIEISA-N	236.231	-0.354	50	10	BBGE	
C[C@H](Cl)C(=O)NC1=[S+][C@H]([N+](=O)[O-])C=N1	725538450	CALOTRPHPUMOEL-IMJSIDKUSA-O	236.660	-0.413	50	10	BBGE	
NC(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1	748006460	RQLOJCLLVCDANY-UHFFFAOYSA-N	238.203	-0.087	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C#N)ccn1	773700105	GDWAKXVBPCYEIG-UHFFFAOYSA-N	204.189	-0.266	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@@H]2COCCO2)[C@@H]1C	844584691	VOOUQJQHFYQEAX-WEDXCCLWSA-N	242.275	-0.071	50	10	BBGE	
O=C1NCCC[C@H]1CNS(=O)(=O)CCl	888082448	SNUCVZANUFBEDU-LURJTMIESA-N	240.712	-0.372	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)C2CC2)C1	895462318	MINCQBJTDPHKTD-XPUUQOCRSA-N	212.249	-0.031	50	10	BBGE	
CN(CCN=C=O)Cc1ccc(B(O)O)cc1	1088207811	SJRJGPMGKCMQSI-UHFFFAOYSA-N	234.064	-0.866	50	10	BBGE	
CCC(=O)C1(C(=O)NN(C)C(N)=O)CC1	1446338025	OLKNJOFGQLLLJD-UHFFFAOYSA-N	213.237	-0.213	50	10	BBGE	
Cc1nn(C)cc1CC(=O)NNc1cnnn1C	1457830852	SLRRFUBGOSMMQQ-UHFFFAOYSA-N	249.278	-0.457	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1cnsn1	1537534426	YHOHZHGIUANKSB-RFZPGFLSSA-N	237.244	-0.541	50	10	BBGE	
NC(=O)CNC[C@@H]1C[C@H]1Br	1877375457	LSHVYDNGXZPXMJ-CRCLSJGQSA-N	207.071	-0.155	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)C[C@H](O)C1	1882571438	ACADZWSLISIWSE-CSMHCCOUSA-N	204.657	-0.455	50	10	BBGE	
C[S@](=O)CCNC(=O)/C=C/C(=O)Cl	1883649026	KDCJMXKXHSTWDK-IBUXWKBASA-N	223.681	-0.197	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C(=O)CCl)C[C@H]21	1884552013	XOYJVLIEDHICHK-PHDIDXHHSA-N	218.640	-0.113	50	10	BBGE	
CCOC[C@H]1CCC[C@@H](C(=O)NN)O1	1890884200	CIYQLDLFDHQLMH-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
O=C(NC1([C@H](O)CO)CC1)[C@@H]1C[C@H]1Cl	1893469244	HBHGXHATZRNPPR-FSDSQADBSA-N	219.668	-0.384	50	10	BBGE	
Cc1nc(CN2CC[C@@H](B(O)O)C2)n(C)n1	1902528766	JRUUDNWMOXJQCN-MRVPVSSYSA-N	224.073	-0.828	50	10	BBGE	
N#CC1(O)CCN(C(=O)C=CCN)CC1	1911757740	WXXLOYJSBRCDIE-UHFFFAOYSA-N	209.249	-0.622	50	10	BBGE	
O=C1CCC(=NNC(=O)C(F)(F)F)CN1	1923406688	MTQNQANAGBKCLS-UHFFFAOYSA-N	223.154	-0.069	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2C[C@H]1CO2	1927906681	CDNLUZMDIJHIKK-XSPKLOCKSA-N	211.265	-0.915	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1C[C@@H]1C(=O)NN	1927914239	SACQTIVNSGWZNI-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC[C@@H]2COCCO2)C1	1928752573	FYAALWWZPLKXFP-KXUCPTDWSA-N	234.727	-0.087	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](C)CS(N)(=O)=O	1932514376	YCTNGUCNTOZSSA-PHDIDXHHSA-N	242.728	-0.346	50	10	BBGE	
CO[C@@H]1CCCN(CC(F)(F)C(=O)NN)C1	1935946045	YHBVUQZGOXJBRA-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
Cc1cccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1936084634	UOSXKSOESJPSPU-IUCAKERBSA-N	221.260	-0.217	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CC1(C(=O)NN)CC1	1938230787	MWSBFZHINRDKGQ-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](O)[C@H]2C1	1938376169	PJYWFHDGGXLJJL-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)[C@H](C)CC(=O)NN	1940292456	XCLUQBPIZQORLE-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941083242	OPWJREWDELHUHJ-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
N#C[C@@H]1CCCN(CCOCC(=O)NN)CC1	1942983745	XVWZBZQOGFCLHX-SNVBAGLBSA-N	240.307	-0.381	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CN)C[C@H]1C	1943685072	RPKAQZMXMYOLQY-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)C[C@@H](O)C#N	1951420369	HOUQHOZWNOXHKO-NKWVEPMBSA-N	207.251	-0.943	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@H](N)[C@H](O)C#N	1952822449	ZCPVASJDVQSJMT-RNJXMRFFSA-N	217.294	-0.934	50	10	BBGE	
C[C@@H](CCl)CN1CC(O)(C(N)=O)C1	1954822666	SHIAXUIEFIXWLQ-LURJTMIESA-N	206.673	-0.607	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2	1957069606	KVEBFNQWUAURIZ-LKHWLPBLSA-N	219.668	-0.432	50	10	BBGE	
COC1CC(CCC(=O)NNCCO)C1	1958801239	ZQSWWVDEBAJEBK-UHFFFAOYSA-N	216.281	-0.195	50	10	BBGE	
CN(Cc1cnn2c1CCC2)C(=O)NN	1960707914	KABHVINYPGYSQI-UHFFFAOYSA-N	209.253	-0.156	50	10	BBGE	
CCCN(CC(=O)NN)C[C@@H]1CCOC1	1961263123	VQDAYTTWQGRBFX-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C(C)C	1961718437	OXFJFECCTNVQKE-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)N2CCC(B(O)O)CC2)C1	1967573308	PCCSVKIIDWPZKM-PSASIEDQSA-N	241.096	-0.123	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cn(C)nn1	1974772519	MDYMYVXPKGCXPM-LURJTMIESA-N	248.695	-0.666	50	10	BBGE	
CC(=O)N(C)CCN1CCC(O)(C#N)CC1	1976820817	OWTYMWWLSPIJCM-UHFFFAOYSA-N	225.292	-0.185	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@H](CC)C(=O)NN	1978306385	WRHVHLJHXHNAJX-VHSXEESVSA-N	229.324	-0.010	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1978833137	ZYAJFMZQSWCETK-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)CN1CC[C@](CO)(C(F)(F)F)C1	1979889768	HCJJHDCQYPZDKH-ZETCQYMHSA-N	241.213	-0.777	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncccc2B(O)O)CO1	1981429699	HDWWJGJONYZQBS-JGVFFNPUSA-N	223.037	-0.682	50	10	BBGE	
OB(O)c1cnccc1OC1CCOCC1	1981429921	JHIWOBDFFYLCOZ-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCCOC1	1981430899	SXNPQKVPHFVIJW-QMMMGPOBSA-N	223.037	-0.681	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](C)[C@H]2C)n1	1981446757	CNGOSOPLOAPRKN-IONNQARKSA-N	220.081	-0.086	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(CC2)C1	1981472809	SZPXYJMQTCLBDJ-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
C[C@H](COc1ncccc1B(O)O)N(C)C	1982817281	UNNASKYKWXSQIW-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](CCO)C(F)(F)F	1984132839	VKRBDQRTXHKVIR-NTSWFWBYSA-N	243.229	-0.390	50	10	BBGE	
C[C@H](CN(C)C1CC2(COC2)C1)C(=O)NN	1985555979	IWGGKDUMMRRFHJ-MRVPVSSYSA-N	227.308	-0.277	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1ccc(B(O)O)cn1	1987863283	VJPMLBUXWGVDGD-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C[C@@H]3C[C@H]3Cl)C2)N1	1991438478	MILRRSPNUVQRFR-ARDNSNSESA-N	243.694	-0.247	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC(CO)(CO)C1	1991650089	LHTOPXAUHLICHL-UHFFFAOYSA-N	247.678	-0.489	50	10	BBGE	
NC[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCCO1	1991703232	DWXMMKRYKBVDFB-UFUPEUMYSA-N	246.694	-0.116	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1[C@H]2COC[C@H]1C2	1992314733	CKPCENRZNDRDRX-OPRDCNLKSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)COc1ccc(Cl)cc1C(N)=O	1994056089	BYVKXBUPLCJDJI-UHFFFAOYSA-N	243.650	-0.192	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)N1CCC1	1997055841	YNIPFUASOGWFRW-GUBZILKMSA-N	238.287	-0.003	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@@H]1CCCNC1=O	2004308759	DSQUBFRGPDDKHY-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@]1(F)CCN(c2ncncc2B(O)O)C1	2004919762	COWSTFGZHXBGNO-SNVBAGLBSA-N	239.059	-0.515	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2004934604	HPWVABPUYYAJRM-LOKLDPHHSA-N	230.076	-0.394	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3C[C@@H]3C2)c1B(O)O	2004974533	LOQKMJPGKVUIIR-DTWKUNHWSA-N	233.080	-0.689	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C(F)F)c(F)c1	2005014755	QDGLQDCWQYIJKE-SSDOTTSWSA-N	245.997	-0.256	50	10	BBGE	
CN(CCC(N)=O)C[C@H]1CC[C@@H](C(=O)NN)C1	2010835465	OVZQZMKGBNTMEW-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
CN=c1ccnc(N2CCC(O)(C#N)CC2)[nH]1	2010912689	SGYFTXBEMHNDAF-UHFFFAOYSA-N	233.275	-0.205	50	10	BBGE	
Cc1nn(C[C@@H]2CC(C)(C)O2)c(C)c1B(O)O	2015574110	RMUUZIQFFDOUTN-VIFPVBQESA-N	238.096	-0.253	50	10	BBGE	
CCO[C@@H]1CC[C@H](C(=O)NCC#CB(O)O)C1	2021111118	VBHKXBRQJIESSL-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
OB(O)c1ccccc1CN1[C@@H]2COC[C@H]1C2	2021409014	LLRSXHVLZAIYPM-PHIMTYICSA-N	233.076	-0.661	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccc(B(O)O)cc1	2022197123	XUAWFDFKAMSFAZ-WCBMZHEXSA-N	237.039	-0.546	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1[C@H]2CCC[C@H]21	2040765165	MTYCMHHTJKNVLE-JZYVYDRUSA-N	246.075	-0.254	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1C[C@@H]2C[C@H]2C1	2040767082	MTXKAHRMIRVQHA-YUMQZZPRSA-N	247.063	-0.755	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H]2C[C@@H]2C1	2050243115	QWKWYLZMMAHWMD-RKDXNWHRSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@@H](C2)C1	2052471718	HIDWROFOYHXMBH-ZJUUUORDSA-N	247.107	-0.217	50	10	BBGE	
CN(Cc1nccn1C)c1ncccc1B(O)O	2052491175	JHIILJREIGOPHI-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
Cc1cc(N(C2CC2)C2COC2)ncc1B(O)O	2052622291	SBTHRICYUCQEPG-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)n1	2053735995	ONLBBVOIUGPWQA-FTYOSLGDSA-N	245.091	-0.691	50	10	BBGE	
CCc1ccc(OC)c(B(O)O)c1OC	2060053944	LSEOIWXKJYBSGV-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
CCOc1cc(F)cc(OC)c1B(O)O	2060117522	RVTWHBDOPNPAHA-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCOCc1nccn1-c1ncccc1B(O)O	2061999354	PADKXVWPFAXDCD-UHFFFAOYSA-N	247.063	-0.516	50	10	BBGE	
CCCN(C)C1CN(c2ccc(B(O)O)cn2)C1	2072407264	FXSIKBNUILDVBV-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCN(C[C@H](C)O)CC1(C(=O)NN)CCC1	2212267852	YFXKMICJZKAZFN-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC(C)[C@H](CO)Nc1cc(B(O)O)ccn1	2212604650	YEKDFEVTANDNEK-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CC[C@H]32)c1F	2212605522	GLDMSJYLJXBLNF-KPCSLPGQSA-N	222.028	-0.279	50	10	BBGE	
COC[C@H](C)Nc1nccc(B(O)O)c1F	2212605656	IDPFCILEWSKZRD-LURJTMIESA-N	228.032	-0.653	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2CC1(C(=O)NN)CC1	2213356600	RGFPYWIDZPJODZ-QXEWZRGKSA-N	239.319	-0.398	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@H]1CC[C@H]1C(=O)NN	2215773747	BYBNXZGMFCWZFJ-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN1C[C@H](CCO)C(C)(C)C1)C(=O)NN	2216475030	RNKQBRZUCHMYBG-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1CO	2216528086	LCWZAUXRAQQMOU-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H](O)CN(c1ccc(B(O)O)cn1)C1CC1	2217172272	IUANZAZWLJBGIM-MRVPVSSYSA-N	236.080	-0.889	50	10	BBGE	
CCC(CC)(CO)Nc1cc(B(O)O)ccn1	2217175757	MZZHFWPKKRDBBC-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
CC(C)NCCNc1nccc(B(O)O)c1F	2217179886	CQHNJHJHNBHYLT-UHFFFAOYSA-N	241.075	-0.690	50	10	BBGE	
Cc1cnc(NCc2ncno2)cc1B(O)O	2217183210	JSMJNOBGRNBVMR-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC[C@@H]1C(C)C	2217188795	TZVZXWADTBVAEA-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
CO[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@H]1C	2217198598	DEQLLJWOCJWYLL-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H](CCCCO)Nc1ncccc1B(O)O	2217200665	APCGJRAZPRKZEK-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCCNC1	2220061126	ASXFYWNCERPPLR-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
COc1cccc2c1CC[C@H]2NC(=O)C(=O)NN	2223524556	SLUGMDNHEPNOJD-SECBINFHSA-N	249.270	-0.211	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@@H](N)C1	2223641549	UTIOSMXGOFYGMU-MNOVXSKESA-N	249.123	-0.533	50	10	BBGE	
Cc1cnc(N[C@H]2CNCC2(C)C)cc1B(O)O	2223642729	MVUJFEYVJRWJGG-JTQLQIEISA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccc(N2CC=CCC23COC3)nc1	2223647865	DHEKCVSSNMRCLM-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCC[C@H]2N)cc1B(O)O	2223653047	NPPNENUJTNIXII-GXSJLCMTSA-N	249.123	-0.391	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2223668933	DDANRGYITCREIO-WDEREUQCSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](O)CC23CCC3)nc1	2223672204	SIDFWHAHFDYHKY-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
Nc1ccccc1CN=c1ccc(B(O)O)c[nH]1	2223677906	UYHRBVPCTRJBCE-UHFFFAOYSA-N	243.075	-0.622	50	10	BBGE	
C=C[C@@]1(O)CCCN(c2cc(B(O)O)ccn2)C1	2223678304	ZXDUZBWUACQTBK-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(F)(F)C1	2241495309	IJXNOQGSLVYBNI-WHFBIAKZSA-N	204.969	-0.673	50	10	BBGE	
CCC[S@@](=O)NCCC#CB(O)O	2241902195	LVZFZTDSLKNMLO-CYBMUJFWSA-N	203.072	-0.945	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC=C[C@@]1(C)CO	2242607917	CYBROZKWKLKULW-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCCC2)n1	2243036914	LWJBFMAQHSABDP-UHFFFAOYSA-N	222.053	-0.630	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)C1(B(O)O)CCC1	2243364872	DODUJQFYWYCZSG-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
O=C(Nc1ccsc1)c1n[nH]cc1B(O)O	2243372022	BKRGDVRYYTWSJX-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
O=C(Nn1cccc1)c1csnc1B(O)O	2243378503	USVMQIFUERLCBU-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
CC[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383153	UVBLIKLWQCDSHT-YIZRAAEISA-N	229.085	-0.531	50	10	BBGE	
CN(C[C@@H]1CCN1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243404618	QZMFXDWBOSJGJH-YIZRAAEISA-N	226.085	-0.940	50	10	BBGE	
N[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243404862	VSMCRSYSTAMLNL-JBDRJPRFSA-N	226.085	-0.765	50	10	BBGE	
C[C@@H](CC(C)(C)O)NC(=O)C1(B(O)O)CC1	2243410455	BRGLHAAOOODMHA-ZETCQYMHSA-N	229.085	-0.341	50	10	BBGE	
Cc1cc(C(=O)N(C)C(C)C)oc1B(O)O	2243413248	CDKMAATVZBWTBZ-UHFFFAOYSA-N	225.053	-0.252	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1O)C1CC(B(O)O)C1	2243416295	IJNQQVYBRSSAKG-MDVIFZSFSA-N	227.069	-0.874	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)OC	2243419963	JUOPYKUOSSYDHQ-CIUDSAMLSA-N	229.085	-0.219	50	10	BBGE	
NCCn1cc(C(=O)N[C@H]2C[C@H](Cl)C2)nn1	2243968594	PKUCAWHCPIRLIO-LJGSYFOKSA-N	243.698	-0.264	50	10	BBGE	
CC(C)C(F)(F)C(=O)NCCC#CB(O)O	2244545964	FASFASXTRVOSIX-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
C[C@@H]1CCS[C@H]1C(=O)NCCC#CB(O)O	2244549183	ZETFMRRQNYCVLG-RKDXNWHRSA-N	241.121	-0.350	50	10	BBGE	
OC[C@@H]1CN(CC2CC(Cl)C2)C[C@@H](O)[C@@H]1O	2245270633	APMMJWOGWYWIJT-ZIJYYKPNSA-N	249.738	-0.350	50	10	BBGE	
C[C@H](COC(F)F)Oc1ncc(B(O)O)cn1	2246676711	RGKCXVFMEKPVHF-RXMQYKEDSA-N	247.994	-0.837	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1F)C1(B(O)O)CCC1	2247753210	CVMPDFKBYHVJRG-HTQZYQBOSA-N	244.075	-0.800	50	10	BBGE	
N#CCCNC(=O)c1cc(F)ccc1B(O)O	2247758138	LASPDPHOBVNBFX-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cc(F)ccc1B(O)O	2247759817	XDHPRNPMPXRNFL-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
CC(C)C(C)(C)NC(=O)c1c[nH]nc1B(O)O	2247785681	OXQGKMDLQIAJTK-UHFFFAOYSA-N	239.084	-0.746	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)c1	2247786213	XRYRCYAEFFZPQA-AOOOYVTPSA-N	236.080	-0.106	50	10	BBGE	
CCOC(=O)CCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247791993	PPKDXHUUXIIPLM-SFYZADRCSA-N	243.068	-0.739	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247792731	USYKEVMFDBMHMX-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
Cc1cnc(C(=O)NC2CCC2)c(B(O)O)c1	2247793744	ZOVZPLSCLKDPOE-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
N#Cc1ccnc(NC(=O)[C@H]2C[C@H]2B(O)O)c1	2247797481	JZWGKAUGIJPQNT-JGVFFNPUSA-N	231.020	-0.245	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1B(O)O	2247803420	BAFCTAKKWWAOTR-CVPUBMOQSA-N	238.096	-0.670	50	10	BBGE	
CN(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247810584	YNFDRQRRSWAXGW-LPEHRKFASA-N	240.112	-0.741	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2OCCC[C@H]2C1	2247847770	BJFWECLCZUACFT-VHSXEESVSA-N	237.064	-0.971	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]1C(F)F	2247849242	XOYJDRDGKUZPEW-YFKPBYRVSA-N	244.990	-0.561	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ccc(B(O)O)o1	2247850230	LRQJKWBIASZWTB-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
CC[C@@H](C)CCNC(=O)c1c[nH]nc1B(O)O	2247855527	UFDBZVDVOCMEDF-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
C#CCCNC(=O)c1cccc(B(O)O)c1C	2247874483	QVGYFJLKOCZEOX-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898819	HZXWSONZVRTQNZ-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
OC[C@H]1CO[C@@H](CN2CCC(B(O)O)CC2)C1	2249343595	RGXBRMJLXGXWLH-GXSJLCMTSA-N	243.112	-0.677	50	10	BBGE	
CCN1CC[C@H](N2CCC(B(O)O)CC2)C1=O	2249347120	QOQBUBTXVOZXQH-JTQLQIEISA-N	240.112	-0.454	50	10	BBGE	
CCC=C1CN(C(=O)c2cocc2B(O)O)C1	2249416187	OBWZKHSXEKPGJZ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C(C)(F)F	2249418318	RTGGVSMHYVSXDP-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
CC(C)CN(C[C@@H](C)O)C(=O)C1(B(O)O)CC1	2250595168	HHRAPGPLXCGQBJ-SECBINFHSA-N	243.112	-0.141	50	10	BBGE	
Nc1ccccc1NC(=O)c1coc(B(O)O)c1	2255453798	SMKGCDSDPRHVFZ-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
O=C(N1CC[C@H](c2ncc[nH]2)C1)C1(B(O)O)CC1	2255491394	WKRMDLRUTPMNAW-QMMMGPOBSA-N	249.079	-0.267	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ncccc1B(O)O	2255516980	RVOPLSOQDKWCTH-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C=C(CC)CNC(=O)c1ncc(C)cc1B(O)O	2255555421	AOYOBCZHFSDNQI-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2255675598	DAWFGGDJCRBOKZ-LLVKDONJSA-N	246.075	-0.822	50	10	BBGE	
N#CC1CN(C(=O)c2cccc(F)c2B(O)O)C1	2255692145	SSMBCBPFDCIKMM-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
CC=C=CCCNC(=O)c1ncccc1B(O)O	2255715081	AHIKFUANWOICNY-UHFFFAOYSA-N	246.075	-0.388	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCc2n[nH]cc2C1	2255771035	XIVGTSNVSHUVNY-OTSSQURYSA-N	249.079	-0.453	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](F)C(=O)O	2298463605	OGMPUYDNEQPJAT-BDVNFPICSA-N	247.031	-0.976	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CCC1(F)F	2298965255	XPHUWSQVKCZHQA-ZETCQYMHSA-N	243.018	-0.427	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H]2C[C@@H]21	2301341795	SVJOQZGURAWLOG-PELKAZGASA-N	228.060	-0.163	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2302024132	TXQYRZWJMKFJDO-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN[C@H]2CCC[C@H]21	2302885261	OEHFROQZOXGDMW-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
Cn1cncc1CCCN1CC[C@H](B(O)O)C1	2303098587	ZBDDGPMGSUNRKN-JTQLQIEISA-N	237.112	-0.099	50	10	BBGE	
CC[C@@H](CN=c1cc(B(O)O)c(F)c[nH]1)OC	2303847887	PUHHXJIMHWCUET-ZETCQYMHSA-N	242.059	-0.841	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1c1ccc(B(O)O)cc1C#N	2317151597	SIKHCAVMDPTHAA-KCJUWKMLSA-N	246.075	-0.802	50	10	BBGE	
CCC#CC(=O)NCc1cc(B(O)O)ccc1F	2319239545	DRXLDJKUVPRHHD-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
O=C(Cl)CN1CCN(CCO)CC1	32021207	PKWNUTZXVJCGCS-UHFFFAOYSA-N	206.673	-0.638	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc(F)c1F	40231451	ZJFJQOYFMHLMGU-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
NNC(=O)COCC(=O)NC1CCCC1	58855845	NWDZPZAIYOULAY-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
C[C@H](CO)N(C)CCCCCC(=O)NN	128576180	BTTSPCOCSAABOQ-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C[C@H](Cl)C#N	139547184	QAHJEHSBRSUCHE-RNFRBKRXSA-N	229.667	-0.146	50	10	BBGE	
NNC(=S)NNC(=O)c1ccccc1O	142790509	QKHURVGJXRQUBK-UHFFFAOYSA-N	226.261	-0.625	50	10	BBGE	
COC[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1	151166338	DAEJENDJYXUTKD-LURJTMIESA-N	240.263	-0.238	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CCCC(=O)NN)C1	166155329	WIYNZIMRAIIZNF-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
COC(=O)NS(=O)(=O)NC[C@@H](C)Cl	168627807	AOQLSLAIJACAJJ-SCSAIBSYSA-N	230.673	-0.196	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)C(F)(F)F	182107022	YBVVHHKVBIHNGT-BYPYZUCNSA-N	227.186	-0.177	50	10	BBGE	
COCOc1c(B(O)O)ccc(OC)c1OC	195980757	IXSRKIBQQFKGDO-UHFFFAOYSA-N	242.036	-0.634	50	10	BBGE	
Cc1ccc(OCCn2cccn2)c(B(O)O)c1	198937227	PKGIMWBNYUCUPJ-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
O=C(NN1CCCC1)c1cccc(B(O)O)c1	204634673	RKAPJPWERYBOPR-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1	222775877	CHJQPQJBLNMRQZ-RITPCOANSA-N	202.210	-0.789	50	10	BBGE	
CN(N)C(=O)Cc1ccc2c(c1)NC(=O)CO2	259003608	NDBXIHSTBRYBJF-UHFFFAOYSA-N	235.243	-0.108	50	10	BBGE	
CC[C@H]1CN(C)CCCN1[C@H](C)C(=O)NN	300354198	CHDWZPRIKJRKSC-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
O=C(NNC(=S)NC1CC1)C(F)F	306445079	SGEWOLTVYUILDJ-UHFFFAOYSA-N	209.221	-0.091	50	10	BBGE	
Nc1ccc(B(O)O)nc1C(F)(F)F	307281089	BWBYFEMGJKQGAI-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CC[C@H](C)[C@@H](CNC(=O)C(=O)NN)OC	381200692	MKZUYTXQZNNMRX-NKWVEPMBSA-N	217.269	-0.846	50	10	BBGE	
CN(C)C=NNC(=O)c1cnn(C)c1N	383917243	FPSJMBLSWJONFW-UHFFFAOYSA-N	210.241	-0.763	50	10	BBGE	
CCCN(CC(F)F)C(=O)C(=O)NN	387019927	YZLVCGYYYZQJMM-UHFFFAOYSA-N	209.196	-0.520	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@H](N)C(C)(C)C	389713746	NCEHYDURFUVVPE-ZETCQYMHSA-N	216.090	-0.780	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(CO)ccc1B(O)O	396063397	WHHIEMFWVGSXHA-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
O=[N+]([O-])c1nc2cc(B(O)O)ccc2o1	396103987	ZCJPQZYVAIFRGR-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
Nc1csc2cc(CO)cc(B(O)O)c12	396254466	WNKMWAHHBNYVSK-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1csc2ccc(CO)c(B(O)O)c12	396341830	UGVJMFYGFYJMSY-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)Cc2ccc(B(O)O)cc2)CO1	401459269	ITZXJXLUIUEQHG-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
CCC[S@@](=O)NCc1cc(B(O)O)cs1	404945773	SHBJMBAEUVJNOS-OAHLLOKOSA-N	247.150	-0.409	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C)[C@@H](CO)C1	687596475	BSNYMDNZWYULJJ-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
OB(O)c1cnn(CCOCC2CCC2)c1	689359972	HYYUDSLYMRVENN-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C(C)(C)CCO	691095139	MOCFGZBQJUNDNN-MRVPVSSYSA-N	233.312	-0.916	50	10	BBGE	
CC(C)N(CCCC(=O)NN)C[C@@H](C)O	692175640	PARVHKDUEJQNBZ-SECBINFHSA-N	217.313	-0.152	50	10	BBGE	
CN(C)CC[C@H]1CCCN1CCC(=O)NN	701450839	YKHZTIBSXHANGS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCCO2)C1	702940196	YEGMIEFUDCSQCB-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCCC[C@H]21	706760041	PGTRIJYGFABNIX-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H]3C[C@@H]32)on1	706977059	YMMCDFJYEXYLQM-MUWHJKNJSA-N	222.248	-0.128	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3C[C@H]32)c1	707085040	GTGCKGVTDOQVDZ-CMPLNLGQSA-N	217.077	-0.039	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710324324	KMWLHXQAYSKBGC-VPJKUYQRSA-N	241.335	-0.154	50	10	BBGE	
O=C1CC(=O)NC(SC[C@@H](O)CCl)=N1	716573933	FYWXWCNBDDDFBL-BYPYZUCNSA-N	236.680	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1C[C@H]2CCCN(C2)C1	718919017	VWULHPHLKGFAMN-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
ClCc1[nH]nn[n+]1CC1=[S+]CC=C1	725542724	YVXPMTZPBBFMKP-UHFFFAOYSA-O	216.697	-0.344	50	10	BBGE	
CC(=O)N1CCCc2ccc(B(O)O)cc21	725670483	BPHZEAZMPPHMKJ-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
NC(=O)N1CCCc2c(B(O)O)cccc21	725672122	MKXVXGSMUPYSJE-UHFFFAOYSA-N	220.037	-0.802	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)c1cn(C)nn1	855186475	WRAMXEHEWHAPDK-ZETCQYMHSA-N	241.251	-0.999	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1C[C@@H](C)CO1	911439226	LUVQEBUPXJIOOJ-RKDXNWHRSA-N	216.281	-0.243	50	10	BBGE	
ClCCS[C@@H]1NN[C@H]2NCNN21	953055347	CVSCHVKYCVOHOM-RFZPGFLSSA-N	209.706	-0.999	50	10	BBGE	
CCCc1nc(C)c(C(=O)NNC(=O)CO)o1	1161080644	PYSLBBUESPNFRP-UHFFFAOYSA-N	241.247	-0.311	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)c1ncccn1	1276343534	UWNXZXDDDXBKRT-SSDOTTSWSA-N	238.247	-0.337	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1306209138	DOMGFZDGTBLEEQ-PHDIDXHHSA-N	224.220	-0.100	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)/C=C/Cn1cncn1	1350801807	VZSDRCGCBKBSRQ-CDAZIORVSA-N	239.279	-0.822	50	10	BBGE	
CC(=O)NNC(=O)C1CCN(C(C)=O)CC1	1587582470	YSMZAYCHNQOCLX-UHFFFAOYSA-N	227.264	-0.588	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC=CC1	1629336141	HGHQMPNFTBWQNQ-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
CN(C)CCOCC(F)(F)C(=O)NN	1884724672	GZJILZZLORPRKH-UHFFFAOYSA-N	211.212	-0.810	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@@H](C)CC(=O)NN	1885790862	OYIFHLPRMMEKBT-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](CC(=O)NN)OC1CCOCC1	1888055574	WONSIBNJGNFFMV-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
CN1CCN(C(=O)NCCCl)CC1=O	1892506683	SZGLOWWJHITYNY-UHFFFAOYSA-N	219.672	-0.291	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N(CCO)C1COC1	1893470923	XXPAWEKJEPIPSC-JGVFFNPUSA-N	219.668	-0.167	50	10	BBGE	
CC1(C)[C@@H]2[C@@H](CCN2CCC(=O)NN)[C@H]1O	1895665424	XWNWHVWIJWROGZ-FKTZTGRPSA-N	227.308	-0.542	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1nc(B(O)O)cs1	1896792701	WMDHCQMMPUKREM-RQJHMYQMSA-N	244.100	-0.135	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	1900031995	BZIXAJRINSIPGD-IQJOONFLSA-N	227.308	-0.398	50	10	BBGE	
CN(NC(=O)C[C@H](N)C1CCC1)S(C)(=O)=O	1901339063	HRNGTRJZJDDKTD-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)c1cn[nH]c1)S(=O)(=O)C1CC1	1901360269	RUPZJIIOYGXVCH-UHFFFAOYSA-N	244.276	-0.522	50	10	BBGE	
O=C(CCl)N1CC[C@]2(C[C@@H](O)CO2)C1	1901464093	ZDGRBQGNJKFKKD-APPZFPTMSA-N	219.668	-0.023	50	10	BBGE	
CC[C@](C)(CN1CCC[C@@H](O)C1)C(=O)NN	1902716537	UBJGHNQKTSQVSH-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1913521497	IBANHUYOIZJHDN-NTSWFWBYSA-N	205.283	-0.660	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)C12CCC2	1914396906	SORLURIDNJTIHR-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
CN(NC(=O)OC(C)(C)C)C(=O)CO	1923388862	RGHQICWHBVNKSB-UHFFFAOYSA-N	204.226	-0.123	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C)[C@H]1CO	1929739854	BLMJFSWAAFLHJQ-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
Cn1nnnc1SCC1(C(=O)NN)CC1	1931267924	AUGGVJRTHXGZFJ-UHFFFAOYSA-N	228.281	-0.928	50	10	BBGE	
CC(C)C1(O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094810	QENHFMJXCDLSGK-BDAKNGLRSA-N	227.308	-0.685	50	10	BBGE	
COc1cc([C@@H](C)NC(=O)C(=O)NN)sn1	1936560991	AQUAWVMWOGMEIJ-SCSAIBSYSA-N	244.276	-0.681	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CCC1(C)C	1939463862	FUSBJHUXXPIGNM-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941089253	UZWKBXMZHAFICJ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1N(C)C	1945882631	KUYDAXVGXIYYHS-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)CCN1C	1945883296	WZFBVOZPRATMSH-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
O=C(CCl)NCC[C@@H]1COC[C@H]1O	1953871859	REYJDQNFBORNDE-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
NC(=O)[C@H]1CCCN1C[C@@H](O)CCl	1953980738	CONMHHFLLIVOOE-NKWVEPMBSA-N	206.673	-0.464	50	10	BBGE	
O=C(CCl)NC1[C@@H]2CS(=O)(=O)C[C@@H]12	1954213324	GTDRHOVPEOENJL-RFZPGFLSSA-N	223.681	-0.616	50	10	BBGE	
NC(=O)[C@H]1COCCN1CCCCl	1954823157	BRCCNCKIQPDGRV-SSDOTTSWSA-N	206.673	-0.199	50	10	BBGE	
CO[C@H]1CC(C)(C)CC[C@]1(N)B(O)O	1955784596	JYWMRUXXQVDORH-IONNQARKSA-N	201.075	-0.079	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC2(CCC2)CO1	1957628335	KDKDMCNDYNLRJP-QMMMGPOBSA-N	214.265	-0.441	50	10	BBGE	
O=C(NNCCO)[C@H]1COCCC1(F)F	1957692766	DCPMTJTZXRLZPJ-ZCFIWIBFSA-N	224.207	-0.729	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)[C@H]1C[C@@H]1C	1958270569	SDINLSNMYGXWNE-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)N2CCC(B(O)O)CC2)C1	1967573309	PCCSVKIIDWPZKM-SCZZXKLOSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCC(=O)NN)CCN1C	1980815525	BVGACVWNYGJHPL-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2OCCC[C@@H]2C1	1980817370	ULDSANRYLWWPMU-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CCO[C@H]1CCN(c2nc(B(O)O)cs2)C1	1981468874	JILIMRRDTQPGEG-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H](C)COC	1990775428	VQVORVKFHSUEIU-QMMMGPOBSA-N	231.296	-0.490	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@@H]2COC[C@H]21	1991715715	YGUXPDQVLPWJHV-XLNBVVSQSA-N	244.678	-0.493	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997869192	YBLHUUCPGZOWMD-GARJFASQSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](n2cncn2)C1	2004327586	PJOQSVZXLZDZQN-BDAKNGLRSA-N	238.295	-0.707	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)c1ccncc1B(O)O	2004934436	RNQPEGAPFITSMG-WDEREUQCSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(O[C@@H]2CCCOC2)ncc1B(O)O	2004936439	ZJPCWWKUFVOEKD-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@]3(C)C2)ncc1B(O)O	2004973285	RYMBZOZZNQJKHJ-KWQFWETISA-N	233.080	-0.689	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C(F)F)C2)n1	2005014157	HMSCDZRLPMQYAQ-UHFFFAOYSA-N	243.022	-0.834	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)C[C@@H]2C)n1	2005014423	LKFYDQVXIHOKET-YUMQZZPRSA-N	235.096	-0.300	50	10	BBGE	
C[C@H](CC(F)F)Cn1cc(B(O)O)ccc1=O	2008840409	LYMWELPULODALF-SSDOTTSWSA-N	245.034	-0.181	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011297176	JOKLPLDSHLMKGG-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896042	ALRKAIFYTLPELJ-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCOC[C@H]1F	2013731736	SWLJSNDNOODNII-BDAKNGLRSA-N	249.286	-0.948	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](O)C1(C)C	2020206370	PCOCXBGYIQRRDU-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H](C2)O3)ccc1B(O)O	2021435045	YYXSQURNJWSCAR-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@@H](C2)C3)c1B(O)O	2021439081	HPUDBWSYNYBYAE-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CN1CCC[C@H](N(C)c2ncccc2B(O)O)C1	2052492916	WQKFTOJDUSDADN-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(N2CC[C@@H]2CN(C)C)ccc1B(O)O	2052626716	FKJDBVZAOIDMHB-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1[C@H]2CCO[C@H]21	2056377564	ZCDVGKORDXHCKL-GMTAPVOTSA-N	247.059	-0.660	50	10	BBGE	
CCOc1ccc(OC)c(B(O)O)c1F	2060112073	FMUKANLCVGBLDQ-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
COC[C@H](C)N(C)Cc1cc(B(O)O)cs1	2211072742	QDOQTAVZVHECOZ-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
Cc1nn(-c2cc(B(O)O)ccn2)cc1Cl	2212597015	YHFIWXNTPWPRRK-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CCSCCCN=c1ccc(B(O)O)c[nH]1	2212602658	HNZUNTJWHBJIMN-UHFFFAOYSA-N	240.137	-0.262	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC2(F)F)c1	2212602772	JOYLIRUTZROIAF-ZCFIWIBFSA-N	228.007	-0.172	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2212605724	JEFCNUKLVWFZQO-RQJHMYQMSA-N	226.016	-0.900	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CC1(C(=O)NN)CCCC1	2216881583	LXVARXSPWNCHLE-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1cc(B(O)O)ccn1	2217172028	GWVCHESLDOJRQQ-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
Cc1cnc(N[C@H](CN)C2CC2)cc1B(O)O	2217183661	JYSYWVLKFXXCSK-SNVBAGLBSA-N	235.096	-0.781	50	10	BBGE	
C[C@H](CCOc1cc(B(O)O)ccn1)N(C)C	2217193902	PHTXYJIFQCKWFK-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
NC[C@@H](Nc1cc(B(O)O)ccn1)C(F)(F)F	2217196078	CAUKHJGLYJWDMV-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
COCC1CC(Nc2ncccc2B(O)O)C1	2217200063	HQCGENRHJRXPGE-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
OC[C@H]1C[C@H]2CC[C@H]1N2c1ncccc1B(O)O	2223635120	SPRGTPTWAOTEEN-FXPVBKGRSA-N	248.091	-0.889	50	10	BBGE	
CC[C@@]1(Nc2cc(B(O)O)c(C)cn2)CCNC1	2223640547	MAXJBVZKCXKBTF-GFCCVEGCSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC3(CCC3)[C@@H]2O)nc1	2223643937	CEKAILSUUVLVQO-GXSJLCMTSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccc(NC2([C@H]3CCNC3)CC2)nc1	2223646838	QBPKLHCXCNVUQY-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCCO[C@@H]21	2223669189	HBHCPJDZTZWHES-NGZCFLSTSA-N	248.091	-0.402	50	10	BBGE	
CC1(C#N)CCN(c2ccc(B(O)O)cn2)CC1	2223678426	BMMGXBYABZWZLU-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1C[C@H]2CC[C@@H]2C1	2224030847	NQKUDWJAYDLCKA-NXEZZACHSA-N	248.091	-0.641	50	10	BBGE	
COC(=O)c1scc(B(O)O)c1Cl	2241494009	SODZJDPFVPQRDO-UHFFFAOYSA-N	220.442	-0.132	50	10	BBGE	
C=C[C@H](C)OCc1nscc1B(O)O	2241690075	MYOOHZUZTVBGQB-LURJTMIESA-N	213.067	-0.086	50	10	BBGE	
COC(=O)CS(=O)(=O)NC1CC(Cl)C1	2242235809	WADWZSDXEDLNKY-UHFFFAOYSA-N	241.696	-0.151	50	10	BBGE	
CCNCCSC[C@H](C)C(=O)NN	2242283019	QTUQNKYFQKAPIA-ZETCQYMHSA-N	205.327	-0.045	50	10	BBGE	
O=C(NCCCCF)c1ccoc1B(O)O	2243349926	SOFQGEZHTIFLOI-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1ccoc1B(O)O	2243350170	WVCOQIQHEAOVAH-ZCFIWIBFSA-N	241.077	-0.805	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]1C1CC1	2243356941	OXKCIJIKFKCNSK-VHSXEESVSA-N	221.065	-0.351	50	10	BBGE	
CC(C)[C@H]1CCC[C@H]1NC(=O)C#CB(O)O	2243362772	WHCDJTKASPWUKM-NXEZZACHSA-N	223.081	-0.057	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NCC	2243367620	VYOFEJDSEUBXJF-UHFFFAOYSA-N	224.069	-0.672	50	10	BBGE	
CC(C)N(O)C(=O)c1cncc(B(O)O)c1	2243375455	TZNJDAOGNWDVHJ-UHFFFAOYSA-N	224.025	-0.999	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(C(F)F)C1	2243383258	WLMFWICDTJWUCM-UHFFFAOYSA-N	233.023	-0.037	50	10	BBGE	
CC1(NC(=O)c2ccoc2B(O)O)CCC1	2243400277	YQXGJSQMILCRQL-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
C=CC[C@@H](CC)NS(=O)(=O)CC(=C)B(O)O	2243419781	GMCMBCOHJDWNBL-SECBINFHSA-N	247.125	-0.171	50	10	BBGE	
O=C(Nn1cccc1)c1cocc1B(O)O	2244217066	OEGJDMSOSJJZHD-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
O=C(N1CCC[C@H]1CCO)C1(B(O)O)CCC1	2247736577	XBSSZWHMBZRSNA-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
COC[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2247739996	DUDGHBAWWZUHGV-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
C#C[C@H](NC(=O)c1ccsc1B(O)O)C1CC1	2247749322	RPCNFVIONHWFSO-VIFPVBQESA-N	249.100	-0.431	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1B(O)O	2247758519	LQMPUYWAFHMLLI-HZGVNTEJSA-N	237.039	-0.356	50	10	BBGE	
O=C(NCC(F)F)c1cc(F)ccc1B(O)O	2247759977	ZQOJUINNKKCSOG-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCN1	2247791273	MMFBXHWHSWBPPA-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
NCc1ccccc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247807765	RXBRKGLKKYACDM-RKDXNWHRSA-N	234.064	-0.053	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]2C[C@@H]21	2247850279	MHTGHPRWYZUUDC-XCBNKYQSSA-N	234.064	-0.681	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)cn2)CC1	2247867919	ANHRCPDATWYOAP-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
C[C@H]1CC[C@@](O)(CNC(=O)C2(B(O)O)CC2)C1	2247873790	LYVIDJYCPBMQJQ-WPRPVWTQSA-N	241.096	-0.339	50	10	BBGE	
CCNCCN(CC)C(=O)C1(B(O)O)CCC1	2247878743	MQGQDFPMKBRMJJ-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
C=C1CC(N(C)C(=O)c2occc2B(O)O)C1	2247878765	MYARISHFFRGEDE-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
CC1(C)CN[C@H]1CNC(=O)C1CC(B(O)O)C1	2247903371	JVSKIUNTTKSXEH-HACHORDNSA-N	240.112	-0.646	50	10	BBGE	
CC#CC(=O)N1CCc2cccc(B(O)O)c21	2248408311	RHKAHFUKABQQEW-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
C[C@@H](CCNC(=O)C#CB(O)O)CCC(=O)O	2248577890	PNQYUESMTHRADR-MRVPVSSYSA-N	241.052	-0.991	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)c(F)cc1C	2249387552	ZUFXEZVOCHEORQ-UHFFFAOYSA-N	239.055	-0.046	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2249416602	UOPCOKQCQWJJKS-DIYOJNKTSA-N	235.048	-0.512	50	10	BBGE	
COCCOCc1c(F)cc(B(O)O)cc1F	2250033853	DQOWBAGZQIURKM-UHFFFAOYSA-N	246.018	-0.192	50	10	BBGE	
COCC1(C)CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2251479856	UWNGXDYVNINTPC-QMFGVRBNSA-N	241.096	-0.219	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1C=CCCC1	2255495868	GIIJVJRDWNJYBH-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
CC#CCCNC(=O)c1cccc(B(O)O)c1F	2255497937	JULHDXBGWFOUJI-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(F)cc1B(O)O	2255498374	QQPSITJYQKOBII-VIFPVBQESA-N	249.050	-0.046	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H]2CCO2)c(B(O)O)c1	2255510627	YLXWYVKLVGQXKE-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1ccc(C)c(B(O)O)c1	2255514467	JAAXXRHIHWRDAX-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1cncc(B(O)O)c1	2255524566	XOXKQURNSPCESR-MRVPVSSYSA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@]12CCCC[C@H]1C2)c1n[nH]cc1B(O)O	2255547761	PDKLAFRVLOQDJL-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@@H]2CCC[C@@H]21	2255554728	QDFITHQHACFJGY-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC=CC1(C)C	2255734802	HVWRSSOISHBVDI-UHFFFAOYSA-N	248.091	-0.505	50	10	BBGE	
Cc1cc(C(=O)Nc2cn[nH]c2)ccc1B(O)O	2255736857	UXLNWNYCKPCBQG-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255936239	XMQWTUYFMFWONB-QMMMGPOBSA-N	247.059	-0.622	50	10	BBGE	
C#CCCN(C(=O)c1cc(B(O)O)co1)C(C)C	2258123795	UDRGFFWTEVAHNZ-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
C[C@H]1CNCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368463	GIKWPXIWEUMOCR-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368859	AMWKBKXJJQQOCL-IMSYWVGJSA-N	240.112	-0.422	50	10	BBGE	
N[C@H]1[C@@H]2CC[C@H]1N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2298377262	KDKNOIGZLVRQID-IGORNWKESA-N	238.096	-0.813	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300250846	KQRABAGIZLQFGB-KBDSZGMXSA-N	239.080	-0.779	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(=O)NC[C@H]1C	2302050821	UQJHAYMJMOGUJW-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCn2cncn2)C1	2303121546	XZHPKGWHGMAQPO-JTQLQIEISA-N	238.100	-0.393	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317164422	ZJSZABMMIRCWGG-VXGBXAGGSA-N	246.075	-0.173	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3C=C[C@H]2C3)cc1B(O)O	2317310021	YDSWRBRZHUGQLT-ONGXEEELSA-N	243.071	-0.056	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1c1ccc(C=O)c(B(O)O)c1	2317335765	LKRSRRIIKSEFML-PELKAZGASA-N	248.091	-0.895	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1[C@H]2COC[C@H]12	2319209203	BNVQAUYBBCDMOT-UWVGGRQHSA-N	249.075	-0.659	50	10	BBGE	
CCCNC=C(C#N)C(=O)NCCC(=O)O	2324140119	WIVAZLNRVWGYRX-UHFFFAOYSA-N	225.248	-0.016	50	10	BBGE	
COCCNC=C(C#N)C(=O)NCCC(=O)O	2324140615	UXUVAQKCECESKM-UHFFFAOYSA-N	241.247	-0.779	50	10	BBGE	
COCCNC=C(C#N)C(=O)NCCOC	2324623720	FGGPJYZDCXWVBG-UHFFFAOYSA-N	227.264	-0.608	50	10	BBGE	
CCN(C=C(C#N)C(=O)NCC(=O)O)CC	2324946500	NRNZKYRCURNIEB-UHFFFAOYSA-N	225.248	-0.064	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2O[C@H]3CC[C@H]2C3)nc1	2327594884	PQBRTHXZXYCESR-HGNGGELXSA-N	249.079	-0.864	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCN1)c1ccco1	49819119	SVAFMLUCLBRQOG-SSDOTTSWSA-N	223.232	-0.207	50	10	BBGE	
CC(C)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	82466236	DTPKVFXCLDMXPY-DTWKUNHWSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)CCCO1	82469305	BEQKJWBYGPEYGJ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C)C(=O)C1	82774621	KVRMYZBTQCYRPK-ZCFIWIBFSA-N	204.657	-0.086	50	10	BBGE	
CN(CCc1nnn[nH]1)C(=O)CBr	95294199	IHDBPJDEJFHZND-UHFFFAOYSA-N	248.084	-0.405	50	10	BBGE	
O=C1CN([C@H]2CCN3CCC[C@@H]23)CC(=O)O1	111218167	AUJSBKCWZKGZME-IUCAKERBSA-N	224.260	-0.392	50	10	BBGE	
CC(C)[C@@H](C)OCCn1cc(C(=O)NN)nn1	124438482	OTCBYPXYHKPBQT-MRVPVSSYSA-N	241.295	-0.057	50	10	BBGE	
Cn1ccc(CNC(=O)NC(=O)CCl)n1	124838748	XHHWTTNMWAGYBD-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
CSCCCC(=O)NNC(=O)c1c[nH]nn1	134855585	UMZABJQKVWHHCV-UHFFFAOYSA-N	243.292	-0.291	50	10	BBGE	
O=Cc1cc(B(O)O)cc(C(F)(F)F)n1	206086438	KASYLBZNMAIYIQ-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
O=CN1CCN(C[C@H](O)CCl)CC1	221880379	PXXNVKKRTIRULZ-MRVPVSSYSA-N	206.673	-0.640	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)CSC	232420704	ZAVVPPBKKZMRAP-JGVFFNPUSA-N	235.353	-0.325	50	10	BBGE	
CC(C)[C@@H](Cl)[C@](O)(C(N)=O)C(=O)O	238157192	GTAWNWRQCMSVIH-FBCQKBJTSA-N	209.629	-0.449	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c(Br)n1	238621576	FRXJOUQJMWGZQA-UHFFFAOYSA-N	245.825	-0.778	50	10	BBGE	
OCc1ccnc(C(F)(F)F)c1B(O)O	238728088	FJDCGBUMPRWPCI-UHFFFAOYSA-N	220.943	-0.728	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)C(=O)NN	252874810	QCDZXNCYFIEHJT-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
O=C(CCl)NCC(=O)NC1CCOCC1	258626762	DJKIPZKCKHLSEI-UHFFFAOYSA-N	234.683	-0.363	50	10	BBGE	
Cc1cc(C)n(CC(=O)NNc2nnc[nH]2)n1	293859729	IHAPBGHZXQHGQR-UHFFFAOYSA-N	235.251	-0.239	50	10	BBGE	
CCSCCCNC(=O)C(=O)NN	300941444	NVUHLSIFTQADHK-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](C)COC	309584840	VACXBYPRURWHQO-BDAKNGLRSA-N	233.312	-0.794	50	10	BBGE	
O=C(O)/C=C/C(=O)NNC(=O)CCl	379257970	ZEIVQNITFBBDPS-OWOJBTEDSA-N	206.585	-0.987	50	10	BBGE	
CCCN(CCC(=O)NN)[C@@H]1CCOC1	382442542	WNFHKJNMHVMMFM-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCN1CC[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NN	394361216	DVHPJDHUZKIMBV-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CN(C)CC1CN(CCC(C)(C)C(=O)NN)C1	395575209	AUCXMXWIQSKQMK-UHFFFAOYSA-N	242.367	-0.114	50	10	BBGE	
COC(=O)c1ccc(CCC#N)c(B(O)O)c1	396137654	MQUNGRBIGTWAPW-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
OCc1cc(O)c2cc(B(O)O)sc2c1	396350554	WEUJVVZHMSMEQI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1cc(O)c2sccc2c1B(O)O	396375328	CJVSHBDEJJQLRS-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)(C)[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396471307	BTEYYUVFVACTNJ-WDEREUQCSA-N	237.108	-0.227	50	10	BBGE	
COC(=O)Nc1cc(C)cc(B(O)O)c1	405188242	QHJYZQMPRGOCJR-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
CN1CN[C@@H]2C(=O)NC[C@@H](Br)[C@H]21	605706026	SAJPIGCHMDLUOO-NGJCXOISSA-N	234.097	-0.891	50	10	BBGE	
CO[C@H]1CN(C(=O)CBr)C[C@@H]1O	686248261	KRHYSRZLZPOHBU-WDSKDSINSA-N	238.081	-0.401	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1[C@@H](C)O	688023427	GZGBGNSEMOEHLZ-PSASIEDQSA-N	243.307	-0.611	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@H]2C1	688274804	VRPOGZUHGMNOPQ-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
N#CC1(O)CCN(c2cnc(N)cn2)CC1	692135550	OGGLCNATXBDNSW-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@H]1CCO	694920686	MDWIPPZDVJLRLM-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703808970	LBKKDCVFEVFLGP-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707346404	IWPKBRUBTISJEC-KOLCDFICSA-N	243.307	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)(C)O)C(C)C	708526324	JMLHTYDJTHFEGX-SECBINFHSA-N	247.339	-0.527	50	10	BBGE	
C[C@@H]1C(=O)N=C2NN(C)C(C#N)=C2N1C	710027912	NIPXNTBONKDMBE-RXMQYKEDSA-N	205.221	-0.569	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1COCC[C@H]1O	710947593	USZIOSOHGCSMGF-LYFYHCNISA-N	207.657	-0.120	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@]12COC[C@@H]1C2	717998493	RZIGGBKIQOXYNF-RFOGZPIASA-N	223.228	-0.308	50	10	BBGE	
CN(C[C@@H]1CCCCS1)C(=O)C(=O)NN	718295275	QHLJZSHGKKEQDP-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
OB(O)c1cccc(F)c1OCC[C@H]1CO1	718545302	FXWMVMSNZSKIPO-ZETCQYMHSA-N	226.012	-0.327	50	10	BBGE	
CNC(=O)CC(=O)NNc1nccnc1Cl	789907202	MFBNZBUWXPTCNF-UHFFFAOYSA-N	243.654	-0.291	50	10	BBGE	
COC(=O)NNC(=O)c1nnn(C(C)(C)C)n1	856757834	UKPYJCLMMIXCSZ-UHFFFAOYSA-N	242.239	-0.571	50	10	BBGE	
C=C(CCN(C)C)C(=O)NNC(=O)NCC	900386460	WIJSZVXVRILQEB-UHFFFAOYSA-N	228.296	-0.155	50	10	BBGE	
CC[C@@H](NNC(=O)c1cnsn1)C(=O)OC	905820763	GYYIKLGEANDMOU-RXMQYKEDSA-N	244.276	-0.276	50	10	BBGE	
OC[C@@H](O)CN1C[C@H]2[C@H](Br)[C@H]2C1	931753554	RKBMHOCQFJIFRX-RULNZFCNSA-N	236.109	-0.335	50	10	BBGE	
C[C@H](CCl)N[C@@H]1C[C@H]2NNC(=O)N2CN1	953000231	MFYFWYNBMQZHBR-QYNIQEEDSA-N	233.703	-0.664	50	10	BBGE	
N[C@H]1CON(CCBr)C1=O	958715748	PEFVLRLKNZQICY-BYPYZUCNSA-N	209.043	-0.518	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N2CC(C)(O)C2)cn1	1156612029	KXYKXWJYKAXZHQ-KMKOMSMNSA-N	246.270	-0.080	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC23CC3)N1	1329079216	VNUNFORNSDXSIU-RNFRBKRXSA-N	237.259	-0.788	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1cccc(C#N)c1	1543032748	UXJUBAHSTASGNH-UHFFFAOYSA-N	245.238	-0.132	50	10	BBGE	
CC[C@H](OC[C@@H](C)N(C)C)C(=O)NN	1884726821	TVDGMBYXHDMGCA-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
CS[C@@H](C(=O)NNC(N)=O)C1CC1	1886720006	LUGZUCMFDPQPCZ-RXMQYKEDSA-N	203.267	-0.173	50	10	BBGE	
CNNC(=O)[C@@H]1COC2(CCC2)CO1	1888219597	NDALKRQCKAYXHK-ZETCQYMHSA-N	200.238	-0.425	50	10	BBGE	
C[C@H](CN(C)C)N1CC[C@H](B(O)O)C1	1891491772	KTWSPEJTKLLNNV-BDAKNGLRSA-N	200.091	-0.515	50	10	BBGE	
C=C[C@H](C)OCc1nc(B(O)O)cs1	1891824188	UGFRIUVKAPHBDH-LURJTMIESA-N	213.067	-0.086	50	10	BBGE	
CO[C@@H]1CCN(CC2(C(=O)NN)CC2)[C@H]1C	1896021486	AADPBATXZTXXJY-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CN(C)CCOCCC[C@@H]1C[C@H]1C(=O)NN	1900496320	SVGXSGICGBLOIX-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](N)[C@@H](C)Oc1cc(B(O)O)c(F)cn1	1903023087	INISFGMFYQEMLJ-NTSWFWBYSA-N	228.032	-0.985	50	10	BBGE	
N[C@@H]1COC[C@@]1(NCC1CC(Cl)C1)C(=O)O	1904229544	KCUSBOYTTVHASR-VUMZSGCYSA-N	248.710	-0.226	50	10	BBGE	
N#Cc1cncc(OCCC(=O)NN)c1	1910087215	NSWKWHAWYPPGOJ-UHFFFAOYSA-N	206.205	-0.288	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]1C1CCOCC1	1910714207	LWHMYNFWWKYVOS-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
CC[S@](C)(=O)=NC[C@@H]1C[C@@H]1C(=O)NN	1913890819	WXEYYFZPACBNDS-LEJLMFORSA-N	219.310	-0.270	50	10	BBGE	
C[C@@H](CN(C)C1CC(O)C1)C(=O)NN	1914574680	NZSCFLIOKAGJML-KKMMWDRVSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CC#N)C1	1915022269	GQZQKNGKQMJCEC-RKDXNWHRSA-N	226.280	-0.773	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H](CCO)C(F)F	1918551251	QVOLYLJVICMRBJ-FSDSQADBSA-N	249.213	-0.081	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2CC1(C)C2	1929073720	BJODKIDYMHRCAK-CCNFQMFXSA-N	213.281	-0.524	50	10	BBGE	
CC1(C)OCCC[C@H]1NC(=O)C(=O)NN	1933160777	PDEHKQNNIOFJKR-ZCFIWIBFSA-N	215.253	-0.950	50	10	BBGE	
NNC(=O)C(F)(F)CN(CCCO)C1CC1	1935924692	DWLXWJXXFOFSLJ-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1C[C@H]1C[C@@H]1C(=O)NN	1936093448	DWDJITWGHDVHMQ-PRJMDXOYSA-N	247.320	-0.964	50	10	BBGE	
Cc1nnc(SC[C@H]2C[C@H]2C(=O)NN)n1C	1936093619	GCWPASMRSKBHMC-RNFRBKRXSA-N	241.320	-0.158	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1936093978	JFOLLMNHIUHHPL-HRDYMLBCSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)C1CCC1	1936095224	VDQSLXPERKWISO-WCBMZHEXSA-N	227.308	-0.541	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1939553208	QTLBELKYVPERJM-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCNC(=O)CC1	1941630297	BKIMKPGUESHXGG-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)COCCN1CCC2(CCC2)C1=O	1941779699	HDJDODJQDQIEHG-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
CC(C)n1ccn(CCOCC(=O)NN)c1=O	1941780967	WFEKMDAYCYHDKZ-UHFFFAOYSA-N	242.279	-0.763	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1945659025	PZUHSDMZJZOAPW-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCN1C[C@]23CCC[C@@]2(COC3)C1	1947540518	MZBFMBKMRYKACR-RYUDHWBXSA-N	239.319	-0.131	50	10	BBGE	
CC(C)(CN1CC2(CC2)C[C@@H]1CO)C(=O)NN	1949696624	GGDIBCGXYIUWKJ-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
OCCN1CCN(CCBr)CC1	1953623130	NOMAMJVRUCBYQU-UHFFFAOYSA-N	237.141	-0.009	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1C[C@H](O)CCl	1956255968	HAXGLIUGDXZQNU-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
COC[C@H](CF)N1CC(=O)OC(=O)C1	1957057430	GKGBDUCAPJMPCJ-LURJTMIESA-N	205.185	-0.644	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1961587308	WNSXMOWQWBRQQF-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@@H]2C1	1961687756	OBIJNOAFNZNDNS-HTQZYQBOSA-N	204.038	-0.783	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC12CC(CO)C2	1976886578	XMOLTXLGMYHXHT-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CCCCOc1nc(C)nc(C)c1B(O)O	1981422747	STFXJKDGASGETQ-UHFFFAOYSA-N	224.069	-0.048	50	10	BBGE	
COC(C)(C)COc1ccc(B(O)O)cn1	1981429317	CELWLFOYRFYZAW-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)CCCO1	1981471549	JPSSBTJKRSFEBV-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCO[C@@H]2C[C@H]21	1984128730	TUUWRURJHYXUNC-RNFRBKRXSA-N	235.234	-0.525	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1984193528	UWROUZYIIUNSHO-QEYWKRMJSA-N	227.308	-0.400	50	10	BBGE	
CC1(C)CCN1c1ncc(F)cc1B(O)O	1988002597	ZJJFZHHDJBYDLL-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	1990772005	FESTZJOPSMZIHD-IUCAKERBSA-N	229.280	-0.737	50	10	BBGE	
C[C@H]1CN(C(=O)C=CC(=O)Cl)C[C@@H](CO)O1	1991647432	DIGCHULBVJUBEG-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
CO[C@@H]1CNCC[C@@H]1NC(=O)/C=C/C(=O)Cl	1991705995	LBZVTUDJMQMZQX-RIAPOHOLSA-N	246.694	-0.199	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2cc(F)cn2)O1	1992089953	LRDSYLDEOLTRJQ-JGVFFNPUSA-N	228.227	-0.440	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccccc1O	1992147097	YZFCCQLKYHJSDQ-UHFFFAOYSA-N	219.005	-0.863	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	1997867725	HNDFXLIKNQEFMV-CHWFTXMASA-N	238.335	-0.752	50	10	BBGE	
Cc1cnn(Cc2nn(C)cc2C(=O)NN)c1	2003506007	MIJLWTHNKPLUAC-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
C[C@H](CN1CCN(CCC#N)CC1)C(=O)NN	2003828170	JKABLDWELVKOJU-SNVBAGLBSA-N	239.323	-0.856	50	10	BBGE	
Cc1nc2n(c1C)CCN([C@H](C)C(=O)NN)C2	2004308120	ZVTFMNVOYDDHBD-SECBINFHSA-N	237.307	-0.306	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@H]3C[C@@H]32)n1	2004487656	ZNGBPKYIAALEPO-YUMQZZPRSA-N	238.247	-0.749	50	10	BBGE	
C[C@H]1CCC[C@H]1N(C)c1ncncc1B(O)O	2004911465	HLYSJGONFOFRTE-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
CC1(C)[C@@H]2CN(c3ncncc3B(O)O)C[C@H]21	2004917984	YWLWNEUDCPLTCU-HTQZYQBOSA-N	233.080	-0.751	50	10	BBGE	
C[C@H](COc1ncncc1B(O)O)C1CCC1	2004935923	RTWXTIGDYJJDBX-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
Cc1nc(N2CCO[C@H]3C[C@H]32)ccc1B(O)O	2005016980	XTEYSDCTMQCUNK-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H](C)[C@@H]2C)n1	2005017408	DUMDQXQKGPDAQX-XPUUQOCRSA-N	235.096	-0.382	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2C(F)F)n1	2005017661	IMTCLRKUWCZKIA-ZETCQYMHSA-N	243.022	-0.691	50	10	BBGE	
CO[C@]1(CN(C)C[C@@H](C)C(=O)NN)CCOC1	2013416344	WCJROTFVPXZSHH-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CCCN2C)C1	2013599429	CEPVRARUEABGRZ-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
CC1(C)OCCO[C@@H]1COCCCC(=O)NN	2013877151	HPXDDAWUFBHEBE-SECBINFHSA-N	246.307	-0.033	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@H]1CCOC1	2019600819	NDKILPSKCXPJJV-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccccc1B(O)O	2022195906	CNPQUFZTXBCVJU-SECBINFHSA-N	233.076	-0.009	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2025523112	VJIAAMGXZNPFEM-ZDCRXTMVSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3CCC[C@H]32)nc1	2052469410	QLZBBIBNISITFI-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
CCOc1c(OC)cc(OC)cc1B(O)O	2060044908	TWMYXXBFXCCSDD-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3[C@@H](C)C[C@H]3C2)n1	2085520210	SOSALSOBNAGOAY-HGNGGELXSA-N	247.107	-0.443	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2209401210	XQLVBHKCDATXFO-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
CN(CCF)Cc1nscc1B(O)O	2209702893	MXJUOOQIOOMWSC-UHFFFAOYSA-N	218.062	-0.776	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@@]1(C)CO	2211782458	PDCMHOKSEHAWLQ-ONGXEEELSA-N	227.308	-0.376	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1CC[C@H]1C(=O)NN	2211828380	YCWZNNSLAABHLJ-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H](F)[C@H]1CCOC1	2212186734	KMXCJXDGWUEAKC-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncc(B(O)O)cn2)[C@@H]1C	2212603430	GACBFPHQFGWFOG-BHNWBGBOSA-N	221.069	-0.387	50	10	BBGE	
CC[C@@H](Oc1ccc(B(O)O)cn1)[C@@H](C)N	2212606549	VSTQODDMLOGUKB-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
CC1=C(C)CN(c2cc(B(O)O)ccn2)C1	2212611111	VGVSYQCRTKDBMA-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCN(C)C1)C(=O)NN	2214885697	FUBDICMWHULSCW-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CC1(C)C[C@H](O)CN1C[C@H]1CC[C@@H]1C(=O)NN	2215772454	OFIXRPQBUZCUET-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2215773894	UUYDZHIXMOIPBG-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@@H]1CCN=c1[nH]ccc(B(O)O)c1F	2217184719	VQCXHEALVVAJNS-YUMQZZPRSA-N	238.071	-0.220	50	10	BBGE	
CC1CC(CO)(Nc2cc(B(O)O)ccn2)C1	2217195092	FJNIGEWFVKBMGW-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cccnc1NC1(C(F)F)COC1	2217200363	SKDZWWOXJYENMB-UHFFFAOYSA-N	244.006	-0.793	50	10	BBGE	
Cn1ccnc1CNc1cc(B(O)O)ccn1	2217202803	ZYOZSUIVQUFGNU-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@]12CCOC2	2223666584	MZPVWUSWURYWCH-JOYOIKCWSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(NC(=O)C#CB(O)O)s1	2241475769	FCIMUEJXKPGQOB-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
CCNC(=O)c1scc(B(O)O)c1Cl	2241480864	OYCJLRSYKPOAAB-UHFFFAOYSA-N	233.485	-0.169	50	10	BBGE	
CCN[C@H]1CCN(C(=O)NN(C)C)C1	2241683928	MYZCTTYHJUTVSN-QMMMGPOBSA-N	200.286	-0.144	50	10	BBGE	
CCNCCS[C@@H](COC)C(=O)NN	2242284427	FRBGRDRAZOACQZ-ZETCQYMHSA-N	221.326	-0.666	50	10	BBGE	
CCN(CCN1CCCC1)[C@@H](C)C(=O)NN	2242844864	IOICAJVEEDYOEJ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ncsc2B(O)O)[C@H]1C	2243359617	VAYNDABDYIEJMX-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
C[C@@H]1CNCCN1C(=O)C1(B(O)O)CCC1	2243365969	VOWBOOMBQXJCOW-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CCCCNC(=O)c1ncccc1B(O)O	2243375322	ROQFVLROJAHTER-UHFFFAOYSA-N	222.053	-0.709	50	10	BBGE	
CC[C@H](CN(C)C(=O)[C@H]1C[C@@H]1B(O)O)OC	2243380997	BTGKSQVHQVNMFV-VGMNWLOBSA-N	229.085	-0.267	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392794	XGAABFNHAQBXTQ-KZVJFYERSA-N	227.069	-0.610	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397060	UYLKLYZTNDMZAW-HRDYMLBCSA-N	226.085	-0.988	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1csnc1B(O)O	2243399326	YXSBTRNCIOGCAO-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C(F)F)C1CCC1	2243403742	CAMVAYSXMKLLER-MRVPVSSYSA-N	231.007	-0.448	50	10	BBGE	
C=CCNC(=O)c1ccc(F)cc1B(O)O	2243411098	NUIBWRDONXCUPN-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
C=C(CS(=O)(=O)NOCC1CCC1)B(O)O	2243412650	QTARQWOVOYKIBE-UHFFFAOYSA-N	249.097	-0.794	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCS[C@@H]2CC[C@@H]21	2243427656	YQMSJUKIEWUKLB-RYPBNFRJSA-N	241.121	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)NC1(CCC)CC1)B(O)O	2243432943	GCKOGFRBWHXTIK-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
Cc1cc(NC(=O)C(F)F)ccc1B(O)O	2243679064	RYWYKIYXBOXWJL-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
CC(C)(NC(=O)C1CC(B(O)O)C1)C(=O)O	2243751751	AMHYPLWKHNUBPT-UHFFFAOYSA-N	229.041	-0.781	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1CC(N)=O	2244147701	AEELCORAJAXUOM-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
COCCCCCO[C@@H](COC)C(=O)NN	2244520356	KECDYPLARASPNH-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC1CCOCC1	2246741303	IPOSAFCBHGPJGX-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccc(B(O)O)o1	2247740887	RAWSMLFRJVSHRV-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CCC1(CNC(=O)c2cc(B(O)O)c[nH]2)CC1	2247746688	CCBSYAHSYPHWAV-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1ccoc1B(O)O	2247747958	VNNAPJLIBXDJKY-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H](C)CF	2247751814	CMTQQQYSZSVQCG-SSDOTTSWSA-N	242.059	-0.724	50	10	BBGE	
CN(CCN1CCCC1)C(=O)C1(B(O)O)CC1	2247753312	FIHXGHBWUOJVNW-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)cc1F	2247754860	BBRXFFDFFPPTAC-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1c[nH]nc1B(O)O	2247780398	BFUGDFFMNPRNDU-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)[C@H]1C[C@H](B(O)O)C1	2247796811	CYAGMYBYEUJIHY-VVULQXIFSA-N	239.080	-0.610	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCCO1	2247798885	XZXXWPXOOUXESG-IQJOONFLSA-N	241.096	-0.075	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(F)F	2247803654	CCVAYMKJKCJORR-LYFYHCNISA-N	248.038	-0.956	50	10	BBGE	
C[C@H]1CNCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247804076	FDGDHRULOLANTF-NFTFJBJSSA-N	240.112	-0.646	50	10	BBGE	
C[C@@]1(C(F)(F)F)CCN(C(=O)C#CB(O)O)C1	2247848654	OQSFHFWALFUDRA-MRVPVSSYSA-N	248.997	-0.197	50	10	BBGE	
Cc1cccnc1CN(C)C(=O)C#CB(O)O	2247851831	KSTZMEXUCFFHCR-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)ccc1OC	2247853213	IBKHCGGRRBHFSE-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
O=C(N1CCN(CCF)CC1)C1(B(O)O)CC1	2247855005	MBNMQUHCADAEGI-UHFFFAOYSA-N	244.075	-0.893	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H](O)[C@H](F)C1	2247859755	OUJDQQWAMKUCBA-BZNPZCIMSA-N	245.059	-0.829	50	10	BBGE	
COCCCN(C)C(=O)c1coc(B(O)O)c1	2247870551	LMGHSHCUKGFLQG-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
O=C(NC1(CO)CCCC1)C1(B(O)O)CCC1	2247878344	NTVLAVZOWSTOBT-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2247887125	KNWUYUISHVVZPF-LOLPMWEVSA-N	239.080	-0.752	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCCCCC1	2247893262	OVWMJGOYQCZBET-UHFFFAOYSA-N	237.068	-0.894	50	10	BBGE	
CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@H]1B(O)O	2247895652	UUONQBQPPCTIRL-HTQZYQBOSA-N	243.068	-0.739	50	10	BBGE	
CN(Cc1cccnc1)C(=O)[C@H]1C[C@H]1B(O)O	2247897620	VJINPDOUCJDRAT-VHSXEESVSA-N	234.064	-0.097	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898814	HZBNMCLEFKYDEI-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
Cc1ocnc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247898864	IERLIOPMVQJWGU-JGVFFNPUSA-N	238.052	-0.196	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@]2(CCNC2)C1	2247899697	PLHWWGJRSHEIPK-KKZNHRDASA-N	238.096	-0.939	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)C1CC(B(O)O)C1	2247909307	HXSYSEFCIBDVDE-UDNWOFFPSA-N	242.128	-0.304	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248587501	QFHJGHFVJJWJQO-KTSQROGYSA-N	247.031	-0.833	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1cocc1B(O)O	2249411036	PRFMMJBWZARCOH-BDAKNGLRSA-N	241.027	-0.420	50	10	BBGE	
O=C1CN([C@@H]2CCCN(C3CC3)C2)CC(=O)O1	2250911610	XEIDRPIVHODODN-SNVBAGLBSA-N	238.287	-0.001	50	10	BBGE	
NC(=O)CCCCCN1CCC(B(O)O)CC1	2253038091	JZDYORJEZXTMTR-UHFFFAOYSA-N	242.128	-0.029	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]2CC[C@H]21	2255472731	HJVWTVPHTKBASS-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCOC2)ccc1B(O)O	2255510283	UUGMQFZSVNQCNN-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2255520032	FLTCRXACFXRIFL-SNVBAGLBSA-N	248.091	-0.224	50	10	BBGE	
N#CC1CCN(C(=O)c2ccc(B(O)O)o2)CC1	2255672951	MNYGCTJPBPLWRZ-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CC[C@H]2C1	2255694005	VWWVLYMAXUCTAD-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1cncc(B(O)O)c1	2255717540	ZXCWDAJEEMTVDO-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cccc(F)c1B(O)O	2255719503	KNHPOHQYDUBXMU-VIFPVBQESA-N	249.050	-0.212	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC[C@H]2C[C@@H]21	2255747017	CYGUJJVLDDYJHL-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
CCC1CN(C(=O)c2nccc(C)c2B(O)O)C1	2255783698	FXGOYFUQYUJEJV-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)cc1O	2255951167	AICCEGVBRWEJNR-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1cocc1B(O)O	2258138122	GAMOVZJDJVGTFV-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
C#CCC(=O)NCc1ccc(OC)c(B(O)O)c1	2264098470	VIWYLCQPXCBLBU-UHFFFAOYSA-N	247.059	-0.986	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCCN[C@H]21)[C@H]1C[C@H]1B(O)O	2298368638	PRRKGYPCUUWCNN-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368806	ZAWKLOAUIVYLTM-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CC12CCOCC2)[C@H]1C[C@H]1B(O)O	2298369247	NUFGZRULOAANIO-YIZRAAEISA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298369726	CMGZEIGZONTBEO-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](C(=O)O)N(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298463727	YPFXKSVSIQIDRB-UIISKDMLSA-N	241.052	-0.687	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CCC1(F)F	2298960989	BZHVLSQGAKBMLJ-ZETCQYMHSA-N	243.018	-0.427	50	10	BBGE	
C[C@]1(N)CN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(F)F	2299950115	HYZDQLQBBQIYMD-BBVRLYRLSA-N	248.038	-0.956	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC=C[C@H](O)C1	2300362785	GGAJDOKZFCMMJZ-GARJFASQSA-N	239.319	-0.375	50	10	BBGE	
CN(C[C@H]1COCC1(C)C)C(=O)C#CB(O)O	2301150033	JBFWGGNYQZPMBC-VIFPVBQESA-N	239.080	-0.867	50	10	BBGE	
CC(=O)N(C)CCN(C)CCCCC(=O)NN	2301395677	RGZCSZUZFFQCPJ-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
OB(O)[C@H]1CCN(CCCO[C@@H]2CCOC2)C1	2303105307	NEHBUJXKGJOWFU-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]c1	2312612282	NKVYTWGAUPJPJX-HBNTYKKESA-N	244.103	-0.193	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317162336	RLNSYXXSBNGWFD-INNHCVQGSA-N	246.075	-0.581	50	10	BBGE	
C[C@H](C#N)CN(C)c1ccc(C=O)c(B(O)O)c1	2317311256	NFKXPLROVFSAKZ-SECBINFHSA-N	246.075	-0.225	50	10	BBGE	
C[C@@H]1CNC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317350012	MIGFIGMQOBJRRA-PELKAZGASA-N	249.075	-0.834	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@@H]1CO	82470390	CLNOTBXHDLGHRS-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC(C)(CSc1ncn[nH]1)C(=O)NN	86598264	JHBJLZRKMOILNO-UHFFFAOYSA-N	215.282	-0.087	50	10	BBGE	
COC(=O)[C@H]1C[C@H](OC(=O)CCl)CN1	98089198	FMGCHSNFZUXZHN-NTSWFWBYSA-N	221.640	-0.328	50	10	BBGE	
CC(=O)NNS(=O)(=O)CBr	127114797	WDKOWIUCJHWKNS-UHFFFAOYSA-N	231.071	-0.691	50	10	BBGE	
CC(C)(CN1CC[C@@H](CO)C1)C(=O)NN	166152450	ZFZLCDCUANQRJR-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](O)CCNS(=O)(=O)CCCl	232300143	QAUFLKCJBJCCEO-LURJTMIESA-N	215.702	-0.085	50	10	BBGE	
COC(=O)c1ccc(O)c(C(=O)NN)c1	238394764	SSBVYTSIUHJONV-UHFFFAOYSA-N	210.189	-0.218	50	10	BBGE	
NCCCC[C@H](N)C(=O)NCCCl	238563071	MJAXXSRJOMHSPF-ZETCQYMHSA-N	207.705	-0.202	50	10	BBGE	
O=C(CN1CCOCC1=O)NNc1ccccc1	279580770	PLAKZGXLVPPZTQ-UHFFFAOYSA-N	249.270	-0.012	50	10	BBGE	
Cc1oc(CSCC(N)=O)cc1C(=O)NN	300791107	HJWGCCATHGVVOA-UHFFFAOYSA-N	243.288	-0.090	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1cncn1	306311417	CPFOPPSCQQNIRC-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1nnnn1C	307462235	GGQXNHHJEMLFHE-SCSAIBSYSA-N	203.633	-0.546	50	10	BBGE	
CCC[C@H](Cl)[C@H](O)[C@H](O)[C@H](O)CO	308050473	GSIMLUVFAXEHQL-FKSUSPILSA-N	212.673	-0.531	50	10	BBGE	
CCn1ccc(=O)n(C[C@@H](O)CCl)c1=O	379895970	BXENDHPWTAINDG-ZETCQYMHSA-N	232.667	-0.370	50	10	BBGE	
CN(CCC(N)=O)C(=O)NC(=O)CCl	381914349	DAGGKTUEIMOGMB-UHFFFAOYSA-N	221.644	-0.731	50	10	BBGE	
C[C@H](O)CN(CCO)CCC(C)(C)C(=O)NN	395623169	YINJDPONZMZONB-VIFPVBQESA-N	247.339	-0.932	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(CO)cc1B(O)O	396049387	DSQCMXCQFKBPQG-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
Nc1cc2c(B(O)O)c(C(=O)O)ccc2s1	396253297	ZRDKZYCJCSEBGN-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CSSCCNC(=O)[C@@H]1CNC(=O)CN1	397762826	ITUFIJKCUMEQIA-LURJTMIESA-N	249.361	-0.798	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)NC1CC1	405153342	UNOBVVOYKPYRIM-UHFFFAOYSA-N	240.093	-0.611	50	10	BBGE	
CCNC(=O)NCc1ccc(B(O)O)s1	405158391	ZDJVKDPKZZFSEH-UHFFFAOYSA-N	228.082	-0.753	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1	584939746	MOWIHIAXXOPPLI-OIBJUYFYSA-N	219.049	-0.495	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1CC[C@@H](C(=O)NN)O1	692175722	XPGLUGACCZTXEX-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2Cc3ccccc32)n1	694274817	DRCIUGNHSUMKKC-JTQLQIEISA-N	228.060	-0.097	50	10	BBGE	
COC[C@@H](SCCCCCN)C(=O)NN	698060738	XOCGEQDZJPYSLF-MRVPVSSYSA-N	235.353	-0.147	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	700622486	WJOTVWJUSFALGR-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
NC(=O)NNC(=O)C[C@H]1CCCCO1	700865198	SYVMCWXVHYLORF-ZCFIWIBFSA-N	201.226	-0.355	50	10	BBGE	
CCC(F)(F)Cn1cc(B(O)O)cn1	704714871	SDDQRZQDCRWGCE-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC([C@@H](C)O)C1	719827712	NDWWBFXQJOQWNS-XLPZGREQSA-N	215.297	-0.687	50	10	BBGE	
C/C=C(/CC)C(=O)NNC(=O)c1cnn[nH]1	789759553	VSIOAGGHUVRXNV-UTCJRWHESA-N	223.236	-0.078	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cnco1	817214203	BOSFBBZWQSBNNV-ZCFIWIBFSA-N	225.204	-0.385	50	10	BBGE	
CC(C)[C@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	817215208	KRHCBDAJJFLJFE-KCJUWKMLSA-N	244.291	-0.280	50	10	BBGE	
COC[C@]1(C(=O)NN(C)C[C@H](C)O)CCOC1	910148646	DVJVCZCIVZYQMX-GXSJLCMTSA-N	246.307	-0.617	50	10	BBGE	
O=C(CCF)NNC(=O)c1cn[nH]c1	912977864	MWZPRPCIMUOCFE-UHFFFAOYSA-N	200.173	-0.470	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)c1ccnnc1	1162154338	KAHMEMHOBAKMEA-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
COC[C@H](OC)C(=O)NNc1nnc(C)n1C	1329529910	JGIIMPVOBOKAED-ZETCQYMHSA-N	243.267	-0.772	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNc1cnnn1C	1351215561	JIOXJRFYDFUTII-JGVFFNPUSA-N	239.279	-0.069	50	10	BBGE	
Cc1cc(=NNC(=O)CC(N)=O)cc[nH]1	1453854325	DLAIMZURZGBKDA-UHFFFAOYSA-N	208.221	-0.870	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@H](O)[C@H](C)O	1454262622	FEXOUVYQTJBUBU-BAHSTFSOSA-N	228.248	-0.712	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)C1CC1	1586887368	RDLDZKULYAQEGD-UHFFFAOYSA-N	222.248	-0.100	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@]1(O)CCOC1	1641517460	IRXNHHSQLIIRFK-JTQLQIEISA-N	228.248	-0.915	50	10	BBGE	
N#CCCNC(=O)NNC(=O)c1cccnn1	1672243925	LBXKWYTUUNGJLT-UHFFFAOYSA-N	234.219	-0.666	50	10	BBGE	
O[C@H]1[C@@H](CF)N(CCCCl)C[C@H]1O	1878012197	RCCFWFIKKAPJNN-PRJMDXOYSA-N	211.664	-0.009	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1CN(C(N)=O)C1	1885619231	QFOZLPKXWARQIO-RXMQYKEDSA-N	219.672	-0.260	50	10	BBGE	
CO[C@H](C)COC[C@H]1C[C@@H]1C(=O)NN	1886077696	YBDCGXONIWCWDG-PRJMDXOYSA-N	202.254	-0.336	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC(C)=O	1888555441	YQDYRFCLUNRLFH-UHFFFAOYSA-N	222.266	-0.722	50	10	BBGE	
C[C@@H](COC[C@H]1CCCO1)C(=O)NN	1888707827	MHZOEYGHACHJIU-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@@H]2Cl)CNC1	1893470493	UCQQEGSFZAIVQE-RQJHMYQMSA-N	218.684	-0.282	50	10	BBGE	
COC1(CO)CN(C(=O)[C@@H]2C[C@@H]2Cl)C1	1893475278	RMFYUQNSXQOFSK-RQJHMYQMSA-N	219.668	-0.167	50	10	BBGE	
O=C(N[C@@H](CO)C(=O)O)C1CC(Cl)C1	1893475307	RWXNUXGLQMSVKI-WRVKLSGPSA-N	221.640	-0.435	50	10	BBGE	
Cc1ncc(OC[C@@H]2C[C@@H]2F)cc1B(O)O	1896372690	JIJLCFCTIKOLCO-XVKPBYJWSA-N	225.028	-0.193	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCC1CN(C)C1	1897359645	PDBOAXTVZRISJX-QMMMGPOBSA-N	220.700	-0.082	50	10	BBGE	
C[C@H](CC(=O)NN)OCCO[C@H]1CCOC1	1900890407	PGFZPIKCDJAFHW-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](CN)C1CC1	1901347985	ACSIPKQXCIYZFH-MRVPVSSYSA-N	249.336	-0.716	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@]12C[C@@H]2N	1901377237	LOQHNSRMARFEAJ-ZKWXMUAHSA-N	247.320	-0.964	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2COC[C@H]21	1901765521	VVYGVPNMNUYUTB-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1csc(CN2CCC(F)CC2)n1	1902640666	HEMXLDDIMXBJHT-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2COC[C@@H]2O1)C(=O)NN	1904649303	RYTWKTYBLYEWFG-CIUDSAMLSA-N	229.280	-0.305	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@@]1(C)O	1909658580	FXMLGGOCAFYHFE-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccccc1CN1CC(F)(F)C1	1917266117	FQHBMOIIMQJKPY-UHFFFAOYSA-N	227.019	-0.183	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@@H](F)C1)C(=O)NN	1927865641	AILGJEIAIIIYII-GJMOJQLCSA-N	219.260	-0.983	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1C[C@H]1C(=O)NN	1927913100	FNGHTHCCAMMSBC-IWSPIJDZSA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@H]1C2	1928179837	VAAZJSDCGZUSHQ-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
COC[C@H](OC1CC(F)(F)C1)C(=O)NN	1929653050	GBTJDLDHGABVBC-LURJTMIESA-N	224.207	-0.194	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@@H](O)CO	1930115250	DKIBQFPXJXPNKW-ZCFIWIBFSA-N	206.242	-0.550	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)[C@H](C)C[C@H]1O	1930115492	HBUVQKVKHLBQGC-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
O=S(=O)(CCl)N1CC(OCCO)C1	1932100957	NFAQASYDFDHCEN-UHFFFAOYSA-N	229.685	-0.794	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C2CC2)C1	1933051425	LCUIZJPNDZTYIR-VIFPVBQESA-N	213.281	-0.667	50	10	BBGE	
C[C@H]1OCCO[C@H]1CN(C)CCC(=O)NN	1935550902	ZNDAZXXFQIBIDR-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1936093447	DWDJITWGHDVHMQ-GJMOJQLCSA-N	247.320	-0.964	50	10	BBGE	
CCCN(CCOC)C[C@@H]1C[C@H]1C(=O)NN	1939256045	MNZULHCJRAPEDU-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
COC1CC(CN(C)C[C@H]2C[C@H]2C(=O)NN)C1	1941090399	ZNKXKLTYQLFESK-VGRIYTJTSA-N	241.335	-0.031	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c(C)n1	1941093243	PEPBNGAICLXOCE-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@H](CO)C1	1941772160	FJBRYSYHVZPAFB-JTQLQIEISA-N	245.323	-0.913	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H]1CCCO1	1941784942	XRLWQHJPWHITSD-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
Cc1ccc(CN(C)C[C@H](C)C(=O)NN)nn1	1941971218	IMRXYFSQNHGMBS-QMMMGPOBSA-N	237.307	-0.157	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944603614	GUXGXICGOCKECN-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CS(=O)(=O)CC1(C[C@@H](N)[C@@H](O)C#N)CC1	1952835981	HAFAIGJKZVFEHM-SFYZADRCSA-N	232.305	-0.587	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccc(-n2cncn2)nc1	1953071681	SBYIRDWSNWKSIT-PSASIEDQSA-N	230.231	-0.453	50	10	BBGE	
CC(C)OC1CN(CCC(=O)NN)C1	1955280035	LWNUOWXHUACBLG-UHFFFAOYSA-N	201.270	-0.524	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)[C@H]2COC[C@H]21	1957255537	GSTCMUXNGLOLQA-UYXSQOIJSA-N	215.684	-0.225	50	10	BBGE	
CN(C)C[C@@H]1C[C@H](O)CN1C[C@@H](O)CCl	1960160446	XSBUNNNPQNWTBY-GUBZILKMSA-N	236.743	-0.417	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C(F)(F)C12CC2	1960440158	FQNLAEGUKBTTQJ-SCSAIBSYSA-N	219.191	-0.862	50	10	BBGE	
CCN(C(=O)CCCl)[C@H]1CC(=O)NC1=O	1961459716	DJUJFNIDNQAKIH-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
Cc1nnc(O)n(CCOCCCl)c1=O	1962479672	YBBVKNMSSDMGPE-UHFFFAOYSA-N	233.655	-0.092	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1	1962743598	MAUBXERXEDSYKJ-GFCCVEGCSA-N	243.071	-0.396	50	10	BBGE	
CON(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCOC1	1978750651	OOYPDLRGIVPRQL-CIUDSAMLSA-N	229.280	-0.735	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCOCCCl)C[C@H]12	1978816556	MFPBRWOXZNPIAV-YUMQZZPRSA-N	246.694	-0.554	50	10	BBGE	
CC(C)[C@H](O)CN(C)CC1(C(=O)NN)CC1	1979849468	OURZNCNDDBMCBC-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](N)CSCc1nn(C)cc1C(=O)NN	1980594274	SGKZAPKUHVLDQQ-LURJTMIESA-N	243.336	-0.396	50	10	BBGE	
CCN(C(=O)NC(=O)CCl)[C@@H]1CCNC1=O	1981050308	SSEULZPHLXCUFR-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2C[C@H]3O)CC1	1981217057	PRRAXQMTRZFTMY-HRDYMLBCSA-N	225.292	-0.788	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1982705818	WVRNJFOBOSWNNH-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C(F)(F)COCCN1CCCC1	1982848418	JHZOWWNJNOXCMJ-UHFFFAOYSA-N	237.250	-0.276	50	10	BBGE	
COc1nc(SC2CCC2)ncc1B(O)O	1984015239	UEKZRMUKDRHVGX-UHFFFAOYSA-N	240.093	-0.190	50	10	BBGE	
C[C@H](O)CN(C)C[C@H]1CC[C@@H](C(=O)NN)C1	1985356418	DYYWNHHZAPSBDL-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@@H]1CF	1989218840	JRYBJQFSLXVYGB-UHNVWZDZSA-N	244.056	-0.633	50	10	BBGE	
N[C@@H]1C[C@@H]2CN(C[C@H]3C[C@@H]3Cl)CCN2C1=O	1991456258	QUOAKPCAZKKOTE-DOLQZWNJSA-N	243.738	-0.143	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NCC#CB(O)O	1992136568	ZGCLAKDXKSICQD-RQJHMYQMSA-N	231.007	-0.591	50	10	BBGE	
O=C(CC(F)F)Nc1ncccc1B(O)O	1992776159	PMYWHZIQSSSAHD-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
CS(=O)(=O)CNC(=O)N1CC=C(C#N)CC1	1994018375	TXIZBJWACGKUHJ-UHFFFAOYSA-N	243.288	-0.146	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCN(C2CC2)C1)C(=O)NN	1997513698	VOFHVLGMAVHISD-KOLCDFICSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1CCC(O)CC1	1997581559	OHJPKOXAOGEGMY-SFXRXQKFSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1CCOC(C)(C)C1)C(=O)C(=O)NN	1998568789	XCZQXBVWXAXJEZ-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN([C@@H](C)CC(=O)NN)C1	2001045557	IOHGUPLEQUMLTN-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCN(C)C[C@H]1C)C(=O)NN	2003938481	LXCTZHWANHCWCX-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCCC[C@H]32)nc1	2004918806	QGDFJDIKLVFUGL-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3C=C[C@H]2C3)nc1	2004930843	XFNBYXDYQKFBHK-OYNCUSHFSA-N	232.048	-0.500	50	10	BBGE	
CCN(CCOC)c1ncc(B(O)O)cc1F	2005014307	JRKARXOVYZPALE-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@H]2CCOC2)n1	2005014483	METFVJWGNYSFCS-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCCN(C)C	2007022957	JBFVNPVKPFSSNM-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)ccc1=O)C1CCC1	2008840110	HLUFRMDXWFPDJZ-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)[C@H]1C[C@H](O)C1	2009404779	QXKOKRLQUKQIEL-LJGSYFOKSA-N	240.263	-0.767	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN(CCO)C2CC2)C1	2010834494	DFCZQKXQLQPDJI-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C(F)(F)CCOCCn1cccn1	2012465963	UZJQSWHRDJBAHX-UHFFFAOYSA-N	248.233	-0.085	50	10	BBGE	
C[C@H](CN1CCC[C@@]2(CC[C@@H]2O)C1)C(=O)NN	2013329970	RGBTYCSSZWKMFQ-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@H]1CF	2016762188	FVEKHUFUVYDZAI-XPUUQOCRSA-N	238.027	-0.695	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2018855480	GTMAIPCZQOKGPC-NHCYSSNCSA-N	239.319	-0.375	50	10	BBGE	
CCc1nc(C)c(C(=O)NCC#CB(O)O)o1	2021107432	RSOQWFXCLZNLJN-UHFFFAOYSA-N	236.036	-0.709	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCOCCO2)C1	2021404522	QSQNWOOFSJNWKK-NXEZZACHSA-N	243.307	-0.344	50	10	BBGE	
CC=C1CN(C(=O)c2cccc(B(O)O)c2)C1	2022196067	GGMSRQAVTOVHIZ-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
CN(C)NC(=O)NCC12COC(C(=O)O)(C1)C2	2026198129	RCPNAJUGUFMZOC-UHFFFAOYSA-N	243.263	-0.604	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(Cc1ccccc1B(O)O)C2	2028064308	JJDAFIXRCCBBFR-AAEUAGOBSA-N	247.103	-0.270	50	10	BBGE	
OB(O)c1cnccc1N1[C@H]2CCC[C@H]1COC2	2077831727	ZSDVWYQAXQKORV-UWVGGRQHSA-N	248.091	-0.481	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccccc1B(O)O	2079008720	BOMAITOQGRKFHG-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
COC[C@H](OC[C@H]1C[C@@H](OC)C1)C(=O)NN	2212227771	GJPAGGIZQBDJKX-YIZRAAEISA-N	232.280	-0.567	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncccc2B(O)O)CO1	2212601234	KZGDGBOLMCXTIC-HTQZYQBOSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC1(F)F	2212610893	QSBVRKHGBAGTDA-LURJTMIESA-N	228.007	-0.172	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCCC[C@@]2(CO)C1	2216732296	XEYGPGJRCDPQCT-JQWIXIFHSA-N	241.335	-0.149	50	10	BBGE	
CCC(CC)(CN)Nc1ncc(B(O)O)cn1	2217180307	GSZBXLJDJROCSO-UHFFFAOYSA-N	238.100	-0.914	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H](O)C(F)F)c1	2217196689	HUTXFQIKIULFSP-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2O3)nc1	2217197956	UCMPKLJVIBYPQW-KXUCPTDWSA-N	234.064	-0.507	50	10	BBGE	
OC[C@H](CNc1ncccc1B(O)O)C1CC1	2217198977	IVZCGXCDFAGGGC-VIFPVBQESA-N	236.080	-0.808	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CNC[C@H]3C2)c1	2220067935	WOSCJFDAEOZRNJ-RYUDHWBXSA-N	246.119	-0.982	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCNC2)cc1B(O)O	2223650478	MZKMSSBOFOINPT-JTQLQIEISA-N	249.123	-0.519	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2N[C@@H]3CC[C@H]2C3)c1	2223653283	INYRKHACYLJTOM-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
N[C@H]1CCCC12CN(c1cc(B(O)O)ccn1)C2	2223669073	FSZNMJSAMBTAGL-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@H]1CCCNC1	2223670864	DPGCGIBNWUWDCE-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
NNC(=O)CCn1nc(Cl)nc1Cl	2241278096	UZOMXNOVYRHXIR-UHFFFAOYSA-N	224.051	-0.035	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cscc1B(O)O	2243347260	KCZORTHPJLECAL-KPCSLPGQSA-N	237.089	-0.434	50	10	BBGE	
CC1(C)CN(C(=O)c2ccc(B(O)O)s2)C1	2243349318	JMAHCCGPJJABDX-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2243356876	OCSVMTDFXVMPQK-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
CCCN(CC)C(=O)c1csnc1B(O)O	2243378811	ZRMAWLFAIRBYAS-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CCO)CC1	2243391919	OZBVWRKNJKEORL-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
COCCCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243397202	XDPPMCOYQQPHPD-IUCAKERBSA-N	229.085	-0.218	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C(=O)C1(B(O)O)CC1	2243408596	QBGFOMNYPBBHKY-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CON(C)C(=O)c1cccc(C)c1B(O)O	2243410016	TYKHDTDYKREOEE-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1csnc1B(O)O	2243410925	KJLPQAGKPRREOO-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
O=C(NCCCCF)c1cscc1B(O)O	2243411385	SGLNWSZNHCEZPO-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
CC(C)(CCN)NC(=O)C1CC(B(O)O)C1	2243413407	FSSDADNLRKFWRS-UHFFFAOYSA-N	228.101	-0.517	50	10	BBGE	
CC(C)(C)OC(=O)c1ncncc1B(O)O	2243452865	OBPIPGJAGKBXOE-UHFFFAOYSA-N	224.025	-0.888	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC1COC1	2243989861	YRMPECMRJNIKCA-JTQLQIEISA-N	229.324	-0.031	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)N1CC(O)(C(=O)O)C1	2244015986	VNRSPOGBCRJKMY-IZLXSQMJSA-N	248.666	-0.403	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1CC(N)=O	2244147703	AEELCORAJAXUOM-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
CC(C)c1cc(CNC(=O)C#CB(O)O)on1	2247737882	LHPIWPVACITCCG-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
CCO[C@@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2247742496	PLTSONNLDFFHQF-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccc(B(O)O)o2)[C@H]1C	2247747576	PIDNWSOWWAUFQK-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
CN(CCn1ccnc1)C(=O)C1(B(O)O)CC1	2247754348	FVDNQKQNDXOEEM-UHFFFAOYSA-N	237.068	-0.652	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](NC(=O)C1(B(O)O)CC1)C2	2247755869	LGOJAOROKNYJHN-KHQFGBGNSA-N	239.080	-0.323	50	10	BBGE	
C#CC1CN(C(=O)c2scc(B(O)O)c2C)C1	2247786946	IWGCZVGOWRSUJU-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)C1CC(B(O)O)C1	2247801221	YLZNPZRSVLCLFJ-UHFFFAOYSA-N	242.128	-0.317	50	10	BBGE	
Cc1cc(C)nc(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247809604	ZXSHCCGKZMYLKQ-HTQZYQBOSA-N	235.052	-0.105	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1(C)C	2247809857	RSRRCLFAGPYNAF-XHNCKOQMSA-N	241.096	-0.125	50	10	BBGE	
CC(C)(C)n1cc(NC(=O)C#CB(O)O)cn1	2247847263	UTRAXWJAJSQUNM-UHFFFAOYSA-N	235.052	-0.408	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2247869632	VYNQCYBTPJRDST-QMMMGPOBSA-N	249.100	-0.431	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H](F)C1	2247872239	PDLKSEUIWXKNOE-MRVPVSSYSA-N	241.027	-0.467	50	10	BBGE	
C=C1CN(C(=O)c2nc(C)ccc2B(O)O)C1	2247872535	UDXGYJGFXQRTFZ-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
CCC[C@]1(NC(=O)C2(B(O)O)CC2)CCNC1	2247875188	WOJXJLGCHYQLQM-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
C[C@@H](C1CNC1)N(C)C(=O)C1(B(O)O)CCC1	2247875262	VATIOWGTGNDNRK-QMMMGPOBSA-N	240.112	-0.550	50	10	BBGE	
O=C(N1C[C@@H]2C(CO)[C@H]2C1)C1(B(O)O)CCC1	2247877108	BZYBMDKIEKUOGQ-YUMQZZPRSA-N	239.080	-0.920	50	10	BBGE	
CCn1ccc(=NC(=O)C2(B(O)O)CCC2)[nH]1	2247877904	KDDQKCOISLSENE-UHFFFAOYSA-N	237.068	-0.340	50	10	BBGE	
C#CCC[C@H](O)CNC(=O)C1(B(O)O)CCC1	2247878859	OGFJJKRMDJVJSI-VIFPVBQESA-N	239.080	-0.726	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)C1CC(B(O)O)C1	2247905270	SXNCTIMNGTVLIP-UDNWOFFPSA-N	240.112	-0.502	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC=CC[C@H]1CO	2247912001	ZZPSACSSDQKNFO-RTBKNWGFSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248576491	KNTUKLDNZIEGEW-JTGULSINSA-N	241.052	-0.924	50	10	BBGE	
Cc1cc(C)c(O)c(NC(=O)C#CB(O)O)c1	2248587029	KQPJGUXDQNXPSG-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248589221	NGVLIGOVIUDCMR-PRJMDXOYSA-N	241.052	-0.828	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248592610	DKOCOHXJLNJBHY-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(NCC1(F)CCC1)c1cc(B(O)O)co1	2249417150	BHKTWAXIFSIPEU-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
O=C(N1C[C@H]2COC[C@H]1C2)C1(B(O)O)CCC1	2249901610	NBPOIUSRAGJVLI-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
C#CC[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2255460367	SMHIAZLMIHPMJG-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
CC(C)N(CCC#N)C(=O)c1cc(B(O)O)c[nH]1	2255464516	XNBWVHHUWMCLJB-UHFFFAOYSA-N	249.079	-0.541	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N(C)C1CC1	2255499560	BUGKQYXWAKFSBR-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1cc(B(O)O)c[nH]1	2255670895	JTQJDYUOWJETIF-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ncncc1B(O)O	2255730025	FCORQEAKGVKNLL-IONNQARKSA-N	249.079	-0.973	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)c(C)c1	2255736725	SAZCEPLNWANPCL-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1O	2255929992	XORSVAUCRXLINB-JMCQJSRRSA-N	249.075	-0.400	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1occc1B(O)O	2257072594	VYXXHLVRCHUYNT-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
C=CC1(NC(=O)c2ncc(B(O)O)cc2C)CC1	2257493406	CJNYGXSVXPWHST-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
Cc1cc(CNC(=O)c2cocc2B(O)O)co1	2258122502	COUPOLCOXMJVIM-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)ccc2C)C1	2261387291	XXANSYHLLQNFOS-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H]1[C@@H]2CO)C1(B(O)O)CCC1	2298368227	UQTXOMXZKVEXGT-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
O=C(N1CC[C@@H](O)[C@@H]2CC[C@@H]21)C1(B(O)O)CC1	2298368347	ZKQJVUXWKSRERH-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)CO1	2298376680	IRXMHOXVYIZHBU-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	2302019014	XKNBNSBYRUFXLU-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@@H]1CC[C@@H](C(=O)NN)O1	2302405227	HHJGKRSAHWOHRC-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
C=CCNC(=O)[C@H](C)N1CC[C@@](C)(B(O)O)C1	2303100209	XGIJZLKGYPUZMU-GXSJLCMTSA-N	240.112	-0.384	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303110812	DGQOUXIMKVQHIC-ATZCPNFKSA-N	241.096	-0.266	50	10	BBGE	
C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](B(O)O)C1	2303124553	RYDMNSYRBAKYEL-BDAKNGLRSA-N	242.128	-0.162	50	10	BBGE	
CC[C@](C)(CN(CCO)C1COC1)C(=O)NN	2303426515	OUMCUMFSOQHEAF-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
CC[C@@H](CNC)Oc1cc(B(O)O)c(F)cn1	2303861078	MEPLKHKWWPXGNF-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2306880407	CUTFXILYDLYNFA-BBBLOLIVSA-N	242.128	-0.352	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@@H]2CN[C@H]1C2	2317150187	BQWMNMRRUPVOQG-KPXOXKRLSA-N	243.075	-0.990	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ncc[nH]1	2317164599	BIWOMCYYFTWQDC-UHFFFAOYSA-N	242.047	-0.427	50	10	BBGE	
C[C@@H](NC(=O)C(C#N)=CNC1CC1)C(=O)O	2324979439	QCBFQPHFULAOEO-ZCFIWIBFSA-N	223.232	-0.265	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN(C)CC1	82466509	PLYUUZUERLEDFG-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H](O)CN(C)Cc1ccc(C(=O)NN)o1	82468163	FGNPYMZBYCQDHH-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
C[C@@H](CN1CCn2ccnc2C1)C(=O)NN	82469260	WKTHQQZZSFGPJK-QMMMGPOBSA-N	223.280	-0.675	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(N)CC1	82470848	YSXQIQXEPLUAFJ-SECBINFHSA-N	214.313	-0.576	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2CC2)CC1	82470863	SOGOCPZGCZTBKT-JTQLQIEISA-N	226.324	-0.465	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccc([N+](=O)[O-])n1	82471663	KXAATWQLNQAJSL-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](N)C1	203225858	PSVGIMYEVVKYJN-QMMMGPOBSA-N	200.286	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC([C@@H](C)O)CC1	225779527	ULRLKOZQJZHAGG-MRVPVSSYSA-N	243.307	-0.754	50	10	BBGE	
CC1(N2CC(=O)OC(=O)C2)CCOCC1	229921929	BSMBLKVVMKECMT-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
COC[C@@H](O)CNC(=O)[C@@H](C)Br	234709794	LNFZAXVCCNFCHK-RITPCOANSA-N	240.097	-0.107	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@](O)(CF)[C@H]1O	238721188	CAAAXHGJVWQXJB-ARQDHWQXSA-N	200.593	-0.996	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN2CCC[C@H]2C1	251573809	VTUYFYUCACFSNB-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)[C@H](C)CC(=O)NN	252738849	DUPQMPKJZGPWOP-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCCC[C@@H]1O)C(=O)NN	252919813	DYNIGNMCPAIPPT-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cn1cnc(C2CC2)n1)C(=O)NN	379883870	XEWVWZYOSIMDNS-LURJTMIESA-N	209.253	-0.219	50	10	BBGE	
CNC(=O)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	382061604	FUUOERNUWQLZII-QMMMGPOBSA-N	242.323	-0.931	50	10	BBGE	
CC(C)S[C@@H]1CCN(C(=O)C(=O)NN)C1	382960421	QYJWOSHBZBKACM-SSDOTTSWSA-N	231.321	-0.281	50	10	BBGE	
CC(C)C1(O)CN(CCC(=O)NN)C1	384015334	WZFOTFNOYZXNAS-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H]1C	384875780	ZJDQRJJIRJRMNM-XHNCKOQMSA-N	215.297	-0.544	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@H]1O	388086996	CJWDVZUWBLFVMW-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC(C)S(=O)(=O)CC(=O)NN(C)C	388580026	AZCVXBRJBUSCEH-UHFFFAOYSA-N	208.283	-0.598	50	10	BBGE	
COCCn1ccc2ccc(B(O)O)cc21	393786981	PDHQBGFPAIFECA-UHFFFAOYSA-N	219.049	-0.033	50	10	BBGE	
C[C@H]1CN([C@@H](C(=O)NN)C(C)(C)C)CC(=O)N1	395803787	HHMNHEYSRDUMKC-CBAPKCEASA-N	242.323	-0.789	50	10	BBGE	
COC(=O)CCc1cc(F)cc(B(O)O)c1	396043922	WQCIPSZQISXKLS-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)cc1C(=O)O	396132974	NIPOBZRNBJPGBE-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(CC(C)(C)C(=O)NN)C1	398801013	IIHFIGNEOREDMU-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398867359	XUJYAIPTUHSEEP-MRVPVSSYSA-N	212.297	-0.998	50	10	BBGE	
CCOCC(=O)NCc1sccc1B(O)O	404930477	CYUUYYDUHYXWEP-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
Cc1nc(C(=O)Nc2cccc(B(O)O)c2)no1	405037215	WHKQGZIVBKAZEK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC[S@@](=O)NCc1ccccc1B(O)O	405050602	VEKQVSIXFINZLD-OAHLLOKOSA-N	227.094	-0.860	50	10	BBGE	
OCc1ccc(S)c(F)c1B(O)O	575704902	CQTOPJYQTNUZNP-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
OB(O)c1ccccc1CN[C@H]1CCCOC1	585037735	INTWWLKIDOSIIW-NSHDSACASA-N	235.092	-0.365	50	10	BBGE	
COCC1(CNCc2ccccc2B(O)O)CC1	585046511	WCSQEYXFEJOJCE-UHFFFAOYSA-N	249.119	-0.117	50	10	BBGE	
N=C1NCNN2CC[C@H](Br)[C@@H]12	605644625	TWBRWZUYUVFXOT-WHFBIAKZSA-N	219.086	-0.133	50	10	BBGE	
CN1CN[C@@H]2C(=O)NC[C@@H](Br)[C@@H]21	605706027	SAJPIGCHMDLUOO-SRQIZXRXSA-N	234.097	-0.891	50	10	BBGE	
CS(=O)(=O)CCCN1CCC(O)(C#N)CC1	686012288	XKKALDOBRQYRCP-UHFFFAOYSA-N	246.332	-0.228	50	10	BBGE	
CC[C@]1(C)COCCN1[C@@H](COC)C(=O)NN	687850105	XSLYEMQVBCVZHK-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
OC[C@H]1O[C@@H](Br)[C@H](F)[C@@H]1O	688172880	RTWYWCZOGUBRHY-TXICZTDVSA-N	215.018	-0.203	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1cc(C)ccc1B(O)O	690071395	CJPZBMMRGNALIA-KWQFWETISA-N	249.075	-0.352	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]2COC[C@H]21	690721711	VTJVXPSRUDBYHL-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CCN(CCCC(=O)NN)CC1CN(C)C1	692718196	CWBBZTLJCDCIHX-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CC1(C)[C@@H]2[C@H](CCCN2CC(=O)NN)[C@H]1O	693092178	QQFUWWZJGBXWIQ-UJNFCWOMSA-N	227.308	-0.542	50	10	BBGE	
Cn1c(=O)ccn(CCOCCCl)c1=O	697858012	DOKSEHSNPPYDNW-UHFFFAOYSA-N	232.667	-0.198	50	10	BBGE	
Cn1nccc1/C=C/C(=O)NNC(N)=O	700849869	WJTYTTIJTOZTDE-NSCUHMNNSA-N	209.209	-0.867	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](N2CCC2)C1	702305850	OQOZBVKPPMRCDO-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
NNC(=O)N1CCSC[C@H]1CCO	708566801	QCTOFPSBLSEGIP-ZCFIWIBFSA-N	205.283	-0.631	50	10	BBGE	
CS(=O)(=O)C1CC(NC(=O)CCl)C1	716095934	IMGBEIPGLPOPGZ-UHFFFAOYSA-N	225.697	-0.083	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@H](O)[C@@H](F)C1	725709569	RVHTZUSZWFRLJS-NKWVEPMBSA-N	245.703	-0.040	50	10	BBGE	
CC(C)C(=O)NNC(=O)Cc1ccnn1C	767428966	RAGHGGJQGQNKJB-UHFFFAOYSA-N	224.264	-0.234	50	10	BBGE	
CON=CC(=O)NNC(=O)c1scnc1C	809666649	GZTOTBAOFRKVPJ-UHFFFAOYSA-N	242.260	-0.155	50	10	BBGE	
COc1ncncc1C=NNC(=O)CN(C)C	842526162	MRMAOGXROXOPIN-UHFFFAOYSA-N	237.263	-0.503	50	10	BBGE	
CC(=O)NNC(=O)N[C@H](CN)C(F)(F)F	848597547	PJOJSDKMOFZWOY-SCSAIBSYSA-N	228.174	-0.774	50	10	BBGE	
C[C@@H](NCc1cccc(B(O)O)c1)C(C)(C)O	863888660	JCYJICMUWCYROS-SECBINFHSA-N	237.108	-0.385	50	10	BBGE	
CO[C@H]1C[C@@H](CNCc2ccccc2B(O)O)C1	863891644	ABANBZYIKKIIQL-KLPPZKSPSA-N	249.119	-0.119	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)c1cnsn1	923903251	VFDWSZRTWYPLAY-UHFFFAOYSA-N	236.256	-0.288	50	10	BBGE	
CC[C@@H](F)C(=O)NNC(=O)c1cnn[nH]1	1293054154	ZDVISUDGEOLKQK-SCSAIBSYSA-N	215.188	-0.686	50	10	BBGE	
COc1ccc(NNC(=O)Cc2nc[nH]n2)nc1	1466959838	ZFRICXZQWOCTTB-UHFFFAOYSA-N	248.246	-0.106	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C#N)cn1	1532165930	FIEQMMQOHILDGN-HTRCEHHLSA-N	233.231	-0.659	50	10	BBGE	
O=C(NCc1ccc[nH]1)c1cccc(B(O)O)c1	1544772662	PATXIPXVEGWDDP-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
COc1cccc(NNC(=O)Cn2ncnn2)n1	1566733956	CTZAFFZJLJCWSY-UHFFFAOYSA-N	249.234	-0.780	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccnc(CO)c1	1637415994	ISCUIBAMFBNNHT-MRVPVSSYSA-N	239.275	-0.469	50	10	BBGE	
C[C@H](Cl)C(=O)NCCC(CO)CO	1882602774	KRIVQAQIRPSVQC-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1CCO1	1882954982	JTNQZJMPCYPCFG-RXMQYKEDSA-N	206.629	-0.160	50	10	BBGE	
NC(=O)C1(N)CN(C[C@@H]2C[C@H]2Cl)C1	1883563375	KIVWJAZECAWXKA-NTSWFWBYSA-N	203.673	-0.888	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)C1	1883626914	NGVZPNZNUPFYQQ-ZCFIWIBFSA-N	203.625	-0.099	50	10	BBGE	
C[C@H]1[C@H](O)CN1C(=O)C=CC(=O)Cl	1883627335	TXYOBTWEKHYDHN-NTSWFWBYSA-N	203.625	-0.100	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnns2)C1	1891560396	RXJRPSGWHALJOH-ZCFIWIBFSA-N	213.071	-0.413	50	10	BBGE	
CCc1cc(=O)n([C@@H](C)CC(=O)NN)cn1	1894131094	MAIIVYGHCMEIIM-ZETCQYMHSA-N	224.264	-0.253	50	10	BBGE	
CNCCN1CCC(C(=O)NN(C)C)CC1	1901254670	CDWZKXPRPPJTSY-UHFFFAOYSA-N	228.340	-0.489	50	10	BBGE	
C[C@@H](N)CCC(=O)NN(C)S(=O)(=O)C1CC1	1901341673	YIFAJIHEAAOVQN-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
Cc1nccn1CCN1CC[C@H](B(O)O)C1	1902516817	UUYGXGOZAYBNSZ-JTQLQIEISA-N	223.085	-0.260	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(COC(=O)N2)C1	1904744777	CMXXBPUDAXUCQL-OWOJBTEDSA-N	244.634	-0.371	50	10	BBGE	
COc1nc(C)cc(=O)n1[C@H](C)CC(=O)NN	1905551446	PHAQCMGDCCBHTL-SSDOTTSWSA-N	240.263	-0.499	50	10	BBGE	
Cc1cc(N2C[C@@H](F)[C@H](F)C2)ncc1B(O)O	1907079299	GEROPDZFGSZKPW-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C[C@@H]1O	1908358106	LROGIXGLGNXNHR-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)[C@H]1C	1912214987	BSRFBSOXCIKOBP-VQVTYTSYSA-N	227.264	-0.747	50	10	BBGE	
CC(C)S(=O)(=O)N(C)CCCC(=O)NN	1913436579	ZBRCXCHQTPOIDF-UHFFFAOYSA-N	237.325	-0.574	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCCCCC(=O)NN	1914255494	NLUJRRFEKCOJEA-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC(O)C1	1914601816	XKTLQIDMMOXYBB-DFAZKQQPSA-N	213.281	-0.933	50	10	BBGE	
COCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1916281669	QAUULYHHWFOXLT-BDAKNGLRSA-N	213.281	-0.809	50	10	BBGE	
CC(C)N(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1927914784	YDCLRSVPXXPOGQ-IUCAKERBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CCn2nccc2C1	1927957553	IGXZILIFFFMTBR-SSDOTTSWSA-N	209.253	-0.923	50	10	BBGE	
CSC[C@H](C)N(C)CCOCC(=O)NN	1928183700	ZPLJRWJSGAOIJH-QMMMGPOBSA-N	235.353	-0.324	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@H]2C[C@H]1CO2	1929838361	MJDPQYUJRHMUOB-XHNCKOQMSA-N	214.265	-0.585	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](C(F)F)C1	1930268887	XSXRKTTVPNFZLV-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
COC[C@H](C(N)=O)n1cnnc1CCl	1932160948	DBFGPMPVNCNDRQ-RXMQYKEDSA-N	218.644	-0.310	50	10	BBGE	
COC(=O)[C@H](C)c1cccc(B(O)O)c1	1935012713	YNOWASGCTBVZAX-SSDOTTSWSA-N	208.022	-0.357	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@]2(C)C[C@H]1CO2	1936102426	DPLDSJVKXXERMT-SDNRWEOFSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC1=O	1937410485	SMJCRHSUVJCEQW-UHFFFAOYSA-N	220.232	-0.583	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@H]1CCCN1C	1941084499	YDOAEVKCISPKQN-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)COCCOCCOC1CCCC1	1941773296	VYFMWNFNNRUVPY-UHFFFAOYSA-N	246.307	-0.031	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)CCC1	1947185916	KMCMUXOWLOQQBV-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
OB(O)c1csc(OCC(F)(F)F)n1	1956953438	AMCMGFMVXAOWRW-UHFFFAOYSA-N	226.972	-0.236	50	10	BBGE	
C#CCC[C@H](NC(=O)NN(C)C)C(=O)O	1958373907	FPEUXCRCVFNKOO-ZETCQYMHSA-N	213.237	-0.371	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1960706783	QGBGTDLHXGRLRS-JSXQXQAOSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)CN1CC[C@H]2OCCC[C@H]2C1	1961287917	CKFYPTALFLPQGH-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)c1cnn(C)c1	1961352407	NKLBSPQJQSYZON-ZETCQYMHSA-N	211.269	-0.375	50	10	BBGE	
C[C@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1975100840	JUOBAJIENRKPIJ-YUMQZZPRSA-N	207.038	-0.816	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@@H]1CCO	1981406642	GVRWUWWZRFKELX-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]2C)c1B(O)O	1981445672	MOTQIEHAFVNPIP-SSDOTTSWSA-N	221.069	-0.546	50	10	BBGE	
Cc1cc(N(C)[C@H]2C[C@H]2C)ncc1B(O)O	1981530563	OBGAMTWQJFWHDZ-SCZZXKLOSA-N	220.081	-0.086	50	10	BBGE	
N#C[C@H](Cl)CN1CC(=O)N2CCOC[C@H]2C1	1986928866	AZNPEVPRXBATSG-DTWKUNHWSA-N	243.694	-0.340	50	10	BBGE	
CO[C@@]1(CN(C)CCC(=O)NN)CCOC1	1987013991	DDNWJURPNJHSTA-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NCC=CB(O)O)CO1	1991332313	AOMTUFMJJSVKDZ-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
O=C(O)CN1CCN(C[C@H]2C[C@H]2Cl)CC1=O	1991436657	AOVIZWAQLOLTSL-HTQZYQBOSA-N	246.694	-0.158	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC2(CCOCC2)C1	1997364242	RYGDLXMALXEMEN-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
Cc1noc(CN(C)CCCCC(=O)NN)n1	1997734070	XOMDATBFVZPFBW-UHFFFAOYSA-N	241.295	-0.030	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CC[C@@H]1CO	2000985649	YTMWDGLZYDBMNY-GWOFURMSSA-N	243.351	-0.049	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]([C@H]2CCCO2)C1	2004395846	GPSDWROOCJNVRA-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C(=O)NN)C(C)C)o1	2004409055	FCIHRQSDIPYARA-VIFPVBQESA-N	241.295	-0.176	50	10	BBGE	
OB(O)c1ccc(N2CC(C(F)(F)F)C2)nc1	2004916348	KSSOEMFWNJYQHK-UHFFFAOYSA-N	245.997	-0.240	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@@H](C)CO1	2004919512	ZUYJOSRRGGEPFS-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncnc(N2CC[C@H](CF)C2)c1B(O)O	2004973743	ZLLWUYBPBMUEDI-MRVPVSSYSA-N	239.059	-0.739	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3(C)CC2C3)n1	2005014412	LASBHAOUUVMCNL-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1COC[C@H]1OC	2008155038	FRZKHMDBPTYEPM-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cccc(C(=O)NN)n1	2011376194	XKWFBDCJIBDZRH-GMSGAONNSA-N	236.275	-0.750	50	10	BBGE	
CC[C@@H](CN(C)c1ncc(B(O)O)cn1)OC	2014864121	DIDGPSWGLFQIFC-VIFPVBQESA-N	239.084	-0.982	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCC[C@@](CO)(C2)C1	2022184813	PVKRKDVESVLAHM-CMPLNLGQSA-N	241.335	-0.149	50	10	BBGE	
CC(C)C(=O)N1CCc2c(cccc2B(O)O)C1	2032569881	QWWQWTLBQKSMEC-UHFFFAOYSA-N	247.103	-0.093	50	10	BBGE	
Cc1nccn1C[C@@H](C)Cn1ccc(B(O)O)n1	2050449490	YOMLZUBXIOXNBP-SECBINFHSA-N	248.095	-0.596	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1B(O)O	2052472028	PNFORDZYPVXFQN-DBIOUOCHSA-N	244.103	-0.086	50	10	BBGE	
CCOc1cc(OC)cc([N+](=O)[O-])c1B(O)O	2060018150	MUQDSEPSAFWUJT-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1cc(F)c(B(O)O)c(C=O)c1	2060113095	CYCFVLBJUHYEBJ-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCc1cnn(C)c1	2210501680	XBSSXOMAZZMYDD-QMMMGPOBSA-N	225.296	-0.727	50	10	BBGE	
C[C@H]1CCC[C@@H](Cn2ccc(B(O)O)n2)O1	2210952247	FABRDZMFNUYYMC-IUCAKERBSA-N	224.069	-0.480	50	10	BBGE	
CSC1(CNc2ncc(B(O)O)cn2)CC1	2212602669	HTGOFUHKCPZUKW-UHFFFAOYSA-N	239.109	-0.536	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncc(B(O)O)cn2)CS1	2212602943	AWCLYIXCUSVUPW-SVRRBLITSA-N	239.109	-0.538	50	10	BBGE	
CO[C@H](C)COc1cc(B(O)O)c(C)cn1	2212604528	PXTVOAQXUIQPRG-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215770139	AEHARMQCTWLUTD-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CN(Cc1ncon1)C[C@@H]1CC[C@H]1C(=O)NN	2215774268	CZAQZJDJQPOWSL-JGVFFNPUSA-N	239.279	-0.483	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CC[C@H](C1)O2	2215775730	IROMNBHWXQCXBZ-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1CO	2216528088	LCWZAUXRAQQMOU-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1CCNC[C@H]1Nc1cc(B(O)O)ccn1	2217176177	SIEMEXIXUJVLJT-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217176341	VICIIYIOLQIEPY-VHSXEESVSA-N	235.096	-0.557	50	10	BBGE	
OC[C@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217177597	KUMQKMPQCJORFX-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
CO[C@@]1(C)C[C@H]1Nc1nccc(B(O)O)c1F	2217183882	LLXXDCDNYGJKKL-XCBNKYQSSA-N	240.043	-0.510	50	10	BBGE	
CCN(CC(F)F)c1nccc(B(O)O)c1F	2217184081	QIKQCJYLXGKCSL-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
CCC[C@H](N)CNc1nccc(B(O)O)c1F	2217185003	XMQQUKKJRWJLMZ-ZETCQYMHSA-N	241.075	-0.560	50	10	BBGE	
C[C@]12C[C@H]1CN(c1nccc(B(O)O)c1F)C2	2217185044	SZRKCFSRUZYGLW-WRWORJQWSA-N	236.055	-0.253	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CC[C@H]3C2)cc1B(O)O	2217185500	YGBSDXIMWAAONU-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3OCC[C@@H]23)c1	2217203874	BGFRWAFIDOGBIW-IVZWLZJFSA-N	234.064	-0.649	50	10	BBGE	
CNC1CCC(Nc2ccc(B(O)O)cn2)CC1	2223670016	RKWOOFBLTYMADY-UHFFFAOYSA-N	249.123	-0.296	50	10	BBGE	
N[C@@]12CC[C@@H](CN(c3ncccc3B(O)O)C1)C2	2223679886	VSYMYWULAZRFBI-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
CN(CCC(=O)NN)Cc1nncs1	2241471396	UKTMJLHKIJVNGH-UHFFFAOYSA-N	215.282	-0.650	50	10	BBGE	
Cc1cc(B(O)O)sc1CN(C)C=O	2241555818	QYKLUBDWGPLMBB-UHFFFAOYSA-N	213.067	-0.675	50	10	BBGE	
O=C(NCC=C(F)F)C1(B(O)O)CC1	2241588179	XYTNGIUTDHCOLP-UHFFFAOYSA-N	204.969	-0.110	50	10	BBGE	
O[C@@H]1CN=C(N[C@H]2C[C@H](Cl)C2)NC1	2241655014	GWABXBZCDPHTRF-IZLXSQMJSA-N	203.673	-0.334	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@H](C)Cl	2242273054	NAXGLGQGIXEXMS-LURJTMIESA-N	205.641	-0.914	50	10	BBGE	
C[C@H](C[S@](C)=O)NC(=O)C1(B(O)O)CCC1	2243347537	NHDSNGRCXVQZMS-QZTNRIJFSA-N	247.125	-0.733	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC2(CC2)C1	2243356700	LUHMLVQVCNWROJ-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
C[C@H](COC(F)(F)F)NC(=O)C#CB(O)O	2243357427	WSKFWGDVYBDJCT-RXMQYKEDSA-N	238.958	-0.957	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1sccc1B(O)O	2243361370	AFCYFCKDZFHRBH-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
C=C(CC)CNC(=O)c1ccoc1B(O)O	2243361689	FSRXYWWIPLKOPN-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C#CCN(CC(C)(C)C)C(=O)C#CB(O)O	2243362456	RFCKXGPTOLTQNY-UHFFFAOYSA-N	221.065	-0.490	50	10	BBGE	
C[C@H](CCO)N(C)C(=O)C1(B(O)O)CCC1	2243366044	WOUMWDORFKKIHJ-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
CCONC(=O)c1ccc(F)cc1B(O)O	2243367297	QNYCJADACGSVIA-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
CCCCNC(=O)c1cc(C)c(B(O)O)o1	2243377624	DDLQIQKPSWYJDN-UHFFFAOYSA-N	225.053	-0.202	50	10	BBGE	
CN(C)C(=O)c1cc(F)c(B(O)O)cc1F	2243393316	QAPMNJLCFKEQSI-UHFFFAOYSA-N	228.991	-0.654	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396900	SIMUEMCUVOTCNQ-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC12CCC2	2243401101	MCNJOCCPRUHXBZ-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
Cc1ncoc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243403723	BPNMXYSDYXDVLQ-NKWVEPMBSA-N	224.025	-0.538	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2243407591	VROCCUDUVGPTRD-ZETCQYMHSA-N	220.037	-0.934	50	10	BBGE	
CC(C)[C@@H](CO)CNC(=O)C1(B(O)O)CC1	2243410823	IJOLKJZAMSGRMJ-MRVPVSSYSA-N	229.085	-0.626	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CCC1CC1)B(O)O	2243412807	UAMCJKOSOCVKPP-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
CCN(CCC(=O)O)C(=O)C1(B(O)O)CC1	2243752564	KMQLNSNKDIKUKI-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
N#Cc1ccc(C(=O)NCB(O)O)cc1F	2244382647	RVWQPQZETOLUOL-UHFFFAOYSA-N	221.984	-0.561	50	10	BBGE	
COC[C@H](S[C@H]1CNC(C)(C)C1)C(=O)NN	2245396227	ROAKSIXCMJLXQY-SFYZADRCSA-N	247.364	-0.135	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CCC1	2247736053	RVYWVOADHNESRD-IWSPIJDZSA-N	239.080	-0.180	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ccoc1B(O)O	2247738335	QFYZEKKDGDCSOC-GZMMTYOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247740519	LWRYOQDFHJRXGV-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ncccc1B(O)O	2247769418	IHRTZMCSEMELRC-QMSLJYSESA-N	234.064	-0.854	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790849	JUKWWCVDAIUGHT-KXUCPTDWSA-N	242.128	-0.175	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)C1CC(B(O)O)C1	2247796694	BXZTWNMVCIBBHO-XNWIYYODSA-N	241.096	-0.123	50	10	BBGE	
COC1(CNC(=O)C2CC(B(O)O)C2)CCC1	2247797479	JZUNFVNNMHDYEV-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CN(CCCCCO)C(=O)C1CC(B(O)O)C1	2247797668	LWNMPVYDIZOSMH-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)OC	2247798074	PYZCLEONFRHQFR-KAVNDROISA-N	243.068	-0.693	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C	2247808010	JQYRJMCKWFJHJC-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]2C[C@@H]21	2247847701	ANXPAANYFIEJBD-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1COc2ccccc21	2247849389	ZKIIRZDBZMOZIM-VIFPVBQESA-N	231.016	-0.748	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ncccc1B(O)O	2247869420	RDJNFJCIOMXXFB-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
O=C(NCCCF)c1cccc(F)c1B(O)O	2247870041	CZLXZDIZTZOJOO-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2coc(B(O)O)c2)C1	2247870226	GQJMVEOOYIEGBI-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
O=C(N1CCC[C@H]2NCC[C@@H]21)C1(B(O)O)CC1	2247875128	WFQOMWOWWXWKGW-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247886379	BDVPHOIKEWRBSO-BIIVOSGPSA-N	241.052	-0.987	50	10	BBGE	
Cc1c(CNC(=O)[C@H]2C[C@@H]2B(O)O)cnn1C	2247896504	ZBTATBWXEGYHPR-IUCAKERBSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)[C@H]1C[C@H]1B(O)O	2247899548	OAUZITNHRINLLJ-LOLPMWEVSA-N	239.080	-0.610	50	10	BBGE	
O=C(CCc1cccnc1)NCC#CB(O)O	2248416011	KHMVLHOUOJMLBB-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2248589419	PVKAOUPFISJKPK-WCTZXXKLSA-N	241.052	-0.924	50	10	BBGE	
OB(O)c1cccc(CO[C@@H]2C=CCOC2)c1	2249219640	KVOHRQDGUGSJPZ-GFCCVEGCSA-N	234.060	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H](C1)[C@@H]2O	2249568327	TZSSNHXSMVSNLN-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NCCC#CB(O)O)C1	2250008649	OSTRHMWHIZVGEJ-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H](C)[C@H]2C)n1	2255492658	OIXQSWMZRKJKIX-IONNQARKSA-N	248.091	-0.450	50	10	BBGE	
O=C(Nc1cnoc1)c1c(F)cccc1B(O)O	2255510392	WNYBMIVWEFUYLA-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H](C)CC#N	2255510590	YCVDGUZRUHTJGG-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
O=C(NCC1CCCC1)c1ccc(B(O)O)cn1	2255520827	PDHMYVZEZSNFQY-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(NC[C@H]1CC=CCC1)c1c[nH]nc1B(O)O	2255548053	KEZMRRQZTAXYKY-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1O	2255947990	QQDYVENIOTURDZ-QMMMGPOBSA-N	249.075	-0.282	50	10	BBGE	
CCCC1CN(C(=O)c2nccnc2B(O)O)C1	2256050050	CJAIWCIYEHUFNQ-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cocc1B(O)O	2258141348	ITRMZADUQNVWMB-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2260808137	NIKKVMAIDJICTK-RKDXNWHRSA-N	249.031	-0.974	50	10	BBGE	
CO[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2298369417	UFXYQCROCGMYDJ-UTLUCORTSA-N	243.112	-0.021	50	10	BBGE	
C[C@H](COc1cccnc1C(N)=O)C(=O)NN	2301614172	MUOMMDNIURTOLG-ZCFIWIBFSA-N	238.247	-0.815	50	10	BBGE	
OB(O)c1cc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)ncc1F	2320801093	FUNYFZDUJUDGGV-DWHQLOFCSA-N	249.050	-0.066	50	10	BBGE	
C[C@H](Cl)C(=O)NCC(=O)NCCN(C)C	41706350	KRXKKPMKXNOOFM-ZETCQYMHSA-N	235.715	-0.592	50	10	BBGE	
COC[C@@H](O)CNC(=O)CBr	70590151	ILOBQZNALMZQPZ-YFKPBYRVSA-N	226.070	-0.495	50	10	BBGE	
CCN(CCO)Cc1cc(C(=O)NN)co1	82468824	RGFOWXOKBAGUOY-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
CN(CCO)Cc1ccccc1C(=O)NN	82468871	VVQXJDZHRFXHPN-UHFFFAOYSA-N	223.276	-0.286	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cc([N+](=O)[O-])cn1	86313751	INYHLWHAFXMHHU-PHDIDXHHSA-N	227.224	-0.022	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN(C)CC(N)=O	104111637	CYOOLLBDFNOFEJ-UHFFFAOYSA-N	240.263	-0.891	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC(=O)N1CCCC1	110587087	MXLZGCICXXNKJG-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCCC[C@@H]23)CC(=O)O1	111466028	WGDOESUKAOZOQI-VHSXEESVSA-N	238.287	-0.001	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@@H](CC)C(=O)NN	113188404	SIXZPUGXXHVPFI-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
O=C=NCCOCCOCCN=C=O	117897382	LOQSVHJATLRFGN-UHFFFAOYSA-N	200.194	-0.309	50	10	BBGE	
CN(CCCC(=O)NN)CC1(O)CCCC1	167221839	VODJYYYCNRPOEP-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)cc1F	201517006	BAJWSHLJGFIUMV-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
COCCCN(C)Cc1ccc(B(O)O)cc1	203295535	KBBKZDGXOTXKAS-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CCN(CC(N)=O)C(=O)NC(=O)CCl	231826145	YWFOGOFBUBERFH-UHFFFAOYSA-N	221.644	-0.731	50	10	BBGE	
CCOCCN(C)[C@H](C)[C@H](C)C(=O)NN	250574825	XBBMZNZFWDFJNO-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@](O)(C(N)=O)C1	306780634	DGABVQCKEGJJRO-XNCJUZBTSA-N	220.656	-0.938	50	10	BBGE	
NNC(=O)/C(=C/c1ccccc1O)NN	308716721	WEWLXENYCPBQMD-ALCCZGGFSA-N	208.221	-0.814	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CN2CCC1CC2)C(=O)NN	310111834	RMYNPDHEKKUDDI-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)Nc1ccc(NC(=O)NN)cc1	380996086	MQPZIGGVAQPZQR-UHFFFAOYSA-N	224.224	-0.323	50	10	BBGE	
CCN(C[C@@H](C)OC)[C@@H](COC)C(=O)NN	383059340	HTJHZQLUZFAXRG-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
N[C@H](CC(=C\C=O)/C=C(/O)C(=O)O)C(=O)O	390234861	FNEGJFDTWWXQES-XETOKWLNSA-N	229.188	-0.560	50	10	BBGE	
CN(CCCO)CCC(C)(C)C(=O)NN	395605793	DNGPJVLDFKGNLL-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C(=O)NN)C(C)(C)C	395618061	SEUKNXUGGVUMFE-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)CC(C)(C)C1	395801475	ZVTKUGDFYADTPC-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
N#Cc1cc2c(CO)csc2cc1B(O)O	396229846	XDTYVHRKOZFARQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc(B(O)O)c2cc(CO)sc12	396258589	ZTBNSAWZJPADHD-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)CC[C@H]1O	396866825	YPSKZXNJERLRBQ-NKWVEPMBSA-N	247.682	-0.012	50	10	BBGE	
CC(C)(C)OC(=O)N1CCO[C@@H](B(O)O)C1	687827741	ZHJWBDJGQOPXSX-SSDOTTSWSA-N	231.057	-0.366	50	10	BBGE	
CN1C(=O)CN(S(=O)(=O)CCCl)C1=O	688924577	AZRURQMHIIQRMS-UHFFFAOYSA-N	240.668	-0.551	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@]12COC[C@@H]1C2	689153167	GQULLQSRDTUPKT-QPUJVOFHSA-N	247.059	-0.659	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)C[C@@H]1CO	700397064	FPYNWRDXPBSLGR-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
COCC(COC)N(C)CC(C)(C)C(=O)NN	702036356	OVIDIHJVSLPYML-UHFFFAOYSA-N	247.339	-0.404	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccnc1[N+](=O)[O-]	702734049	XDHUJAYQZAOSQT-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
CN1C[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1=O	703436568	UJDWGSYSPPYWCF-FXQIFTODSA-N	238.243	-0.867	50	10	BBGE	
CNNC(=O)CNC(=O)c1ccc(C)cc1	704666790	ZEBXEQDCHZRQMA-UHFFFAOYSA-N	221.260	-0.025	50	10	BBGE	
CCOC[C@@H]1CN([C@H](CC)C(=O)NN)CCO1	705875402	HHOOZNRAICTKAB-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(COC)CC1	706928869	GOFMZNMABXTRDQ-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCC[C@H]1O	708049674	ACNWKOFOBOIONM-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)COC2=O)o1	709010616	GIGJJXKNZDHYBQ-UHFFFAOYSA-N	239.187	-0.638	50	10	BBGE	
NNC(=O)CCCCN1C(=O)COC1=O	709014596	VSONBQBHJREHJT-UHFFFAOYSA-N	215.209	-0.875	50	10	BBGE	
Cc1conc1C(=O)Nc1ccc(B(O)O)cc1	720525304	MKYCDDTWVIEHEP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CCCC(=O)NN	724144177	ZPPIWJNAZYPWDJ-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(=O)NNC(=O)Nc1nn(C)cc1C	826049717	XJDHCXRFSHLWMU-UHFFFAOYSA-N	211.225	-0.099	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)NC(C)C	858865168	AEOVWZQIJQLIKO-UHFFFAOYSA-N	239.279	-0.070	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1ccn2nccc2n1	899936852	ILMQERCNWVOMDE-UHFFFAOYSA-N	245.242	-0.100	50	10	BBGE	
C=C(C)CONC(=O)c1cccc(B(O)O)c1	1144640347	SDUQLLIMKFYZRJ-UHFFFAOYSA-N	235.048	-0.396	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnn2ncccc12	1161431183	ABIRXLGZXSZSQO-UHFFFAOYSA-N	244.218	-0.396	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)C1CCCC1	1290416469	UIKYVQVWFFFQLT-UHFFFAOYSA-N	227.264	-0.411	50	10	BBGE	
NC(=O)[C@H]1C[C@H](NS(=O)(=O)CCl)C1	1331368904	GFADBGAZEABTIZ-URHBZAFASA-N	226.685	-0.634	50	10	BBGE	
O=C(C[C@@H]1CCNC1=O)NNc1cccnn1	1334124736	AHTLSMSPGYLQSM-ZETCQYMHSA-N	235.247	-0.554	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)C2CCC2)o1	1465062808	VQYKUNDJFBLKAN-UHFFFAOYSA-N	238.247	-0.132	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC[C@@H]1C[C@@H]1Cl	1877393578	IAPORFVSXXTIBI-DKXJUACHSA-N	218.684	-0.154	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@H]1NC(=O)CCl	1878153315	LYMWTZDOZWIACE-PHDIDXHHSA-N	241.696	-0.847	50	10	BBGE	
N[C@H](CN[C@H]1C[C@@H](Br)C1)C(=O)O	1880957922	CLVUUIPOTNSSND-NGJCXOISSA-N	237.097	-0.086	50	10	BBGE	
Cn1ncc(C(=O)NOCCBr)n1	1883019030	RWNRSMGYKYRWNE-UHFFFAOYSA-N	249.068	-0.129	50	10	BBGE	
COC(=O)[C@H](O)CNC[C@@H]1C[C@@H]1Cl	1883549629	BKFCFCQFDSBHRQ-LYFYHCNISA-N	207.657	-0.263	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2Cl)CC(=O)N1	1883554998	WXWYSWXKDFBTHB-WDSKDSINSA-N	202.641	-0.428	50	10	BBGE	
C[C@H](CCCl)C(=O)NC[C@@H](O)C(N)=O	1885937514	HPYYZSBPTYNNEG-PHDIDXHHSA-N	222.672	-0.786	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)CC(=O)NN	1888107173	WHGYBGJQPPYJTJ-YUMQZZPRSA-N	201.270	-0.809	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)OC	1888599560	ZXRDXKJDFRKQKP-UHFFFAOYSA-N	210.255	-0.071	50	10	BBGE	
O=C(NC1([C@H](O)CO)CC1)[C@H]1C[C@H]1Cl	1893469246	HBHGXHATZRNPPR-RRKCRQDMSA-N	219.668	-0.384	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	1897135768	CZXCUYGDKOUOGP-BWVDBABLSA-N	225.053	-0.762	50	10	BBGE	
Cc1cc(OC[C@@H]2CCO2)ccc1B(O)O	1901307743	VXAQWGSYPJJLHK-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@](C)(O)C1	1901757103	NXMHYTCBGLPHSS-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CC[S@@](=O)Nc1cc(F)c(B(O)O)c(F)c1	1901987641	XIAWEUAMHHYHBI-MRXNPFEDSA-N	249.047	-0.260	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	1902406357	WFTALJYCLFTPAI-QMMMGPOBSA-N	218.021	-0.724	50	10	BBGE	
CCOCCC(=O)N1CC[C@](C)(B(O)O)C1	1902513345	QWFKAVZVJBMEOD-JTQLQIEISA-N	229.085	-0.122	50	10	BBGE	
CN(C)CCCC(=O)N1CC[C@H](B(O)O)C1	1902514799	YAMZMLRLQCJRMK-VIFPVBQESA-N	228.101	-0.597	50	10	BBGE	
OB(O)c1csc(CN2CCCOCC2)n1	1902637485	MIPJKWDAFLXATN-UHFFFAOYSA-N	242.109	-0.955	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H](F)[C@H](F)C2)n1	1907076224	CFBSFKGXTTUMNN-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1ncc(B(O)O)cn1	1909554707	IHSDDBJSCLZORJ-YUMQZZPRSA-N	239.059	-0.802	50	10	BBGE	
C[C@H]1CCN(C[C@H](C)C(=O)NN)C(=O)C1	1912224421	YTWHBGILLBFEJP-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
CS(C)(=O)=NCc1cc(C(=O)NN)no1	1913514488	OWHMJORGABKJFJ-UHFFFAOYSA-N	232.265	-0.494	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H]3C[C@H]2CO3)n1	1940763206	RBSIEJFTGRTPBD-GUBZILKMSA-N	236.080	-0.622	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@@]1(CO)C2)C(=O)NN	1942116199	SWIJFQQUVWAIMM-CABZTGNLSA-N	241.335	-0.151	50	10	BBGE	
CNC(=O)OC1CN([C@H](C)CCC(=O)NN)C1	1943063349	SAJKVZZHOMUQRZ-SSDOTTSWSA-N	244.295	-0.815	50	10	BBGE	
C[C@H](CC(N)=O)N(C)[C@H](C(=O)NN)C(C)(C)C	1946076378	RVJFZFHQTCPMFC-VXNVDRBHSA-N	244.339	-0.413	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949276232	BOMZOFMJYBIBAV-RNLVFQAGSA-N	249.261	-0.401	50	10	BBGE	
Cn1nccc1CN1CCC(B(O)O)CC1	1951322143	VPSPSBHBCWEZGO-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
N[C@H]1CS(=O)(=O)C[C@H]1Br	1951328755	ZCCPVHYRAIZXCB-DMTCNVIQSA-N	214.084	-0.494	50	10	BBGE	
CNC(=O)NCCCNC(=O)CCl	1954424510	JULSFYAVQWKEDB-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CCCl)C[C@@H]12	1954821267	VONHDLDKSJZIHH-PHDIDXHHSA-N	202.641	-0.570	50	10	BBGE	
O=C1CN(S(=O)(=O)CCl)[C@H]2CC[C@H]2N1	1956631266	ZJRYXMRIAKKCDX-RITPCOANSA-N	238.696	-0.525	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)CCOCC(=O)NN	1957005675	NMOTVIVOGCKGNI-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CCC[C@@H]1CCOCCN1CC(=O)NN	1960643881	HWAUNLSBXOUUCN-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)N(CC(=O)NN)C[C@@H]1CCOC1	1961263690	FYGWOHYYGIXRBN-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
CCC[C@@H]1COCCN1[C@@H](C)C(=O)NN	1961275592	BCLJUFUHNCMMIM-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC=C(CO)CC1	1961391307	PLIDXBAZBBRQQT-SECBINFHSA-N	213.281	-0.621	50	10	BBGE	
CCO[C@@H]1CC[C@@H](C(=O)NNCCO)C1	1962378878	OBTNAMWSRQXKOU-RKDXNWHRSA-N	216.281	-0.195	50	10	BBGE	
C[C@@H](NC(=O)NN(C)C)[C@@H]1C[C@H]1C(=O)O	1962387615	QEGDVSHCVLVHQQ-DSYKOEDSSA-N	215.253	-0.129	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccc(B(O)O)cc1	1962741922	YZLBXMLIUIACGU-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1	1963489618	WVQQLJJGTOIEQC-PHIMTYICSA-N	249.075	-0.726	50	10	BBGE	
CNS(=O)(=O)c1ccc(NC(=O)NN)cc1	1975381972	YUOAOTYUMKPAPD-UHFFFAOYSA-N	244.276	-0.410	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CCC(O)CC1	1976629655	PWRXAORJYIBDBH-IDKOKCKLSA-N	229.324	-0.010	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@H]1C[C@H]1C(=O)NN	1976934986	WPSNWKMABQOGPY-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NNCCO)C[C@H]1OC	1982354757	BEOLEBFUFVRBQT-AYMMMOKOSA-N	232.280	-0.961	50	10	BBGE	
CCC(=O)NCCc1cccc(B(O)O)c1	1984068241	DFMFTGQQXCOKMN-UHFFFAOYSA-N	221.065	-0.565	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC(F)(F)C(=O)NN	1985571742	MFRXBAALONQTQJ-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
Cc1nccn1CCOCCCC(=O)NN	1986447091	YWEMDTAVBNXXIW-UHFFFAOYSA-N	226.280	-0.022	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ncc[nH]1	1992313869	VFGXEIKPSSPRDK-ZETCQYMHSA-N	221.025	-0.760	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1CC[C@H]2C[C@H]21	1998124768	BGGHLLOXMPZCCB-OSMVPFSASA-N	241.052	-0.925	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(F)(F)C2)n1	2003509792	NEUPGBLVSYLKFC-UHFFFAOYSA-N	245.233	-0.526	50	10	BBGE	
COC(C)(C)COc1cc(C)c(B(O)O)cn1	2004933952	NPNKHBOBSJRXRK-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
CC1(C)C[C@H](Oc2ncccc2B(O)O)CO1	2004950790	IWRADMDKQANALC-QMMMGPOBSA-N	237.064	-0.292	50	10	BBGE	
CCON(c1ncnc(C)c1B(O)O)C(C)C	2004973404	UNGYHKVOGGQIKL-UHFFFAOYSA-N	239.084	-0.369	50	10	BBGE	
CCOCCN(C)c1ncc(B(O)O)cc1C	2005014726	PQCYVBNXBIZBCE-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@@H]1C1CC1	2014003434	ZAFYCGOCPQVHPC-QRTLGDNMSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CN3CCC2CC3)CC1	2021070335	BFUSJNKMDFEESU-JTQLQIEISA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)c1occc1CN1[C@@H]2COC[C@H]1C2	2021412016	GLWFZFMNROKHPS-DTORHVGOSA-N	237.259	-0.144	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)[C@H]2CC[C@H]21	2052493281	VHGVVGYTVCLBLT-NEPJUHHUSA-N	247.107	-0.956	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccc(=O)cc2)cn1	2056634423	BNVALAFEZNGWST-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CCOc1cc(B(O)O)cc(OC)c1C#N	2060203564	GFEPKYAOPPBGQR-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@H]1C1CC1	2071769780	QGBNDGHKYSJPLP-MWLCHTKSSA-N	247.107	-0.219	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2ncn(C)n2)c1	2077062499	XTLMTKAIVTVBGV-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
COC(=O)C[C@H](NC(=O)F)C(=O)OC	2209522269	SVHVETSWQTUNKV-BYPYZUCNSA-N	207.157	-0.230	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2C[C@@H](C1)C2	2211135504	JDWDLJGFQUZEGH-OCAPTIKFSA-N	238.121	-0.335	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@@H]1C(F)F	2211136924	YACKHEMMOAICLX-SSDOTTSWSA-N	248.063	-0.338	50	10	BBGE	
O=C1CN(C[C@@H](F)[C@H]2CCOC2)CC(=O)O1	2212187622	SJCALKJEZLWFAV-JGVFFNPUSA-N	231.223	-0.254	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1ccc(B(O)O)cn1	2212603772	RFMOMSWKVCJKPX-YUMQZZPRSA-N	224.069	-0.403	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2[C@H]3CC[C@H]32)nc1	2212612083	HXNLKUPIPWEJLB-BRPSZJMVSA-N	219.053	-0.776	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCN(C)C1)C(=O)NN	2214885700	FUBDICMWHULSCW-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2CC[C@H]2C(=O)NN)C1=O	2215774375	WQLLIHOOJAJHEZ-GJMOJQLCSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H]2CO[C@@H](C2)C1	2215776404	MOWKUPOGWXHDOK-NAKRPEOUSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H](O)[C@H]2CC3)CC1	2216252850	NHBURHBKKPDDJN-OPRDCNLKSA-N	239.319	-0.256	50	10	BBGE	
CC[C@](C)(N)COc1nccc(B(O)O)c1F	2217196400	RRMUGUFSCGDVGV-JTQLQIEISA-N	242.059	-0.593	50	10	BBGE	
CC(C)[C@](C)(CO)Nc1cc(B(O)O)ccn1	2217198874	HMUIIWCNAIYZCG-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1Nc1ncccc1B(O)O	2217200869	VQQLXHKZCOXJRD-WCBMZHEXSA-N	235.096	-0.877	50	10	BBGE	
OB(O)c1cccnc1NCCCOC1CC1	2217205074	SOUMDQCKKJUXBQ-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
C[C@H]1C[C@H](N)CN(Cc2cccc(B(O)O)c2)C1	2220061156	AXZMCROZERRIBQ-GWCFXTLKSA-N	248.135	-0.465	50	10	BBGE	
NC[C@@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223625045	CGVYNCURBWHCFM-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccnc(NCc2cnccn2)c1F	2223647944	FRSCKPOZCOLZBC-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H](C)C1N	2223673939	IHOSEKIDDTXUOA-IUCAKERBSA-N	249.123	-0.819	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H](C)C1N	2223680135	ZBAUOSZJGZKLLJ-IUCAKERBSA-N	249.123	-0.819	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)C#CB(O)O)C1	2243356785	MVHPZYINUUPVJW-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
NC1(CCNC(=O)C2(B(O)O)CC2)CCC1	2243359658	VVDLDZSBDHOGGN-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ncco1	2243396531	NMRYUKGNFKUTAC-LYFYHCNISA-N	224.025	-0.285	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243399793	QLVBRJCYLQLJGO-SVRRBLITSA-N	222.053	-0.777	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243409717	NMGIEXDNGYZIHL-ZETCQYMHSA-N	227.069	-0.323	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1O	2243410486	CCVPRFQGNUFORT-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
CN[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243411054	NBGDEFNIQDOSQE-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](CC)C1CC1)B(O)O	2243420399	RRDVOANYLWJGOO-VIFPVBQESA-N	247.125	-0.337	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(P(C)(C)=O)C1	2244284293	RHTHRCUBXMQSFH-UHFFFAOYSA-N	247.235	-0.539	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)C#CB(O)O)C(F)F	2244587570	LLIGRYGEZGYAJF-POYBYMJQSA-N	233.023	-0.202	50	10	BBGE	
COC(=O)NCc1ccc(C)c(B(O)O)c1	2246250545	QUBUTEXEPDWRRX-UHFFFAOYSA-N	223.037	-0.469	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NOC(C)(C)C	2247721131	AEDAUIYFESZIMI-UHFFFAOYSA-N	241.052	-0.272	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1coc(B(O)O)c1	2247723713	VXDFQMKZXPEFSE-SECBINFHSA-N	235.048	-0.509	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@H]1O	2247736253	TUSLPGGUSCZZCI-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@H](CNC(=O)c1ccoc1B(O)O)C1CC1	2247739727	AIKNUCQFZFLHAL-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H](CF)C1	2247750030	DBIOBBJJCJVMNK-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
CN(c1ccnn1C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798368	SSGNDTYAGBCYES-ZKCHVHJHSA-N	237.068	-0.364	50	10	BBGE	
O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2247803529	BNPVCIUCHBTBML-ZYUZMQFOSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247804320	GHTNPODTDLUTGJ-ZOZBQHSOSA-N	239.080	-0.921	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCCC[C@H]1O	2247842612	XPQGOBMMDNRTFV-NXEZZACHSA-N	239.080	-0.846	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@H]1C(C)C	2247846836	MWEHGPNODHOFKJ-ONGXEEELSA-N	239.080	-0.726	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1occc1B(O)O	2247852843	AQNCCRZNORIQEU-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1O)C1(B(O)O)CCC1	2247853070	FYLCESBAZQRJBJ-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
Cc1ncc(CNC(=O)C2CC(B(O)O)C2)[nH]1	2247858296	CKVBKOSMZAYSQY-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
CCCN(OC)C(=O)c1cncc(B(O)O)c1	2247866190	IDOKRRVYQCVMKH-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1coc(B(O)O)c1	2247871179	XCKZEEZDKHAYLB-CBAPKCEASA-N	237.064	-0.170	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1NC(=O)C1(B(O)O)CC1	2247871637	FJSLPGWEHODCMR-RKDXNWHRSA-N	240.112	-0.504	50	10	BBGE	
O=C(N1CCC[C@H](O)CC1)C1(B(O)O)CCC1	2247877139	CHPUXFIVKZRBBK-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@H]1CC1(C)C	2247878110	HUGSFJDTDBCBGW-QMMMGPOBSA-N	237.064	-0.170	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCCNC1	2247880353	ZNHMUHXEWGQFCV-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247899901	RDYODQFBTQCBOY-KYZUINATSA-N	242.128	-0.304	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CCC1	2247909440	JSLTZDYTDCKYSW-AEJSXWLSSA-N	240.112	-0.517	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)[C@@H](C)O	2248399186	ZVUWAUUQAUMRLJ-SSDOTTSWSA-N	237.064	-0.752	50	10	BBGE	
O=C(O)CCCCCNC(=O)[C@@H]1C[C@H]1B(O)O	2248577960	QNAUIAGIOLLOKM-HTQZYQBOSA-N	243.068	-0.390	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305870	SEYIBSGRLJWAHQ-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2cc(B(O)O)co2)C1	2249427600	ISPAELDCONPSBT-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CCC1(OC[C@@H]2CC[C@@H](C(=O)NN)O2)COC1	2250791850	PDRGJCGRGURHKR-IUCAKERBSA-N	244.291	-0.281	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)c(F)c2)C1	2255511442	JVFGBFAEDPOLJT-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)c(C)c1	2255514349	HKSBNTOJZQRVGZ-LLVKDONJSA-N	243.071	-0.477	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ncccc1B(O)O	2255515578	ZXWILXJIBKELTI-AYMMMOKOSA-N	246.075	-0.710	50	10	BBGE	
C#CCN(CC)C(=O)c1c(C)cccc1B(O)O	2255736611	QOAWDZBAJDOGII-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2CC[C@H]2C)c1B(O)O	2255787436	ZDMCEGSNZOOMHH-VXNVDRBHSA-N	248.091	-0.402	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	2258143198	VGOCRWREMYBPGN-VHSKPIJISA-N	249.075	-0.170	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2258153866	YOFBOXOKQNOZEF-ILWJIGKKSA-N	249.075	-0.265	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H](F)[C@@H](CO)C1	2298166036	OPWIOOLAFNKSBG-JLIMGVALSA-N	245.298	-0.735	50	10	BBGE	
O=C(O)C[C@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298462697	BAQORLKFNHGXBM-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
COC[C@@]1(C)C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298471804	VJEPTSPXZOJTSB-FXPVBKGRSA-N	239.080	-0.347	50	10	BBGE	
CC1(C)COC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2299582719	GKSNYCSKPVSWKV-HLTSFMKQSA-N	241.096	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCn1ccncc1=O	2300384414	QRXXIRPGJIXCTN-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCCN1CCOCC1	2300923323	HYHSYARDXHOWOW-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CN)COc1ccc(B(O)O)cc1C#N	2301340639	GREFWBAYECIYAI-QMMMGPOBSA-N	234.064	-0.788	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N(CCF)CCF	2301717685	PNIISOIKQJPBPX-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
CC(C)n1ncnc1CN1CC[C@H](B(O)O)C1	2303122229	CCXRAMLIGCRIFP-VIFPVBQESA-N	238.100	-0.092	50	10	BBGE	
CC[C@](C)(CN1CC(N(C)OC)C1)C(=O)NN	2303409283	AWIQZEDSNMPALQ-LLVKDONJSA-N	244.339	-0.430	50	10	BBGE	
C[C@@H]1COCCN1c1cc(B(O)O)c(F)cn1	2303836866	SFERPEQMNRYVHH-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
COC[C@](CN)(C(=O)O)N1CC=C(C#N)CC1	2305760183	RCBYBTVSCQSANJ-LLVKDONJSA-N	239.275	-0.429	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1coc(B(O)O)c1	2312857416	WRPGKIKCDRKSSM-MRTMQBJTSA-N	249.075	-0.265	50	10	BBGE	
N[C@@H]1CC[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317313379	VYQJAAFJSXLFPO-PRHODGIISA-N	248.091	-0.672	50	10	BBGE	
COCCNC(=O)C(C#N)=CNC1CC1	2324627913	BMVKHYGMXHOGKN-UHFFFAOYSA-N	209.249	-0.092	50	10	BBGE	
NNC(=O)CCCC(=O)NC[C@@H]1CCCO1	58862745	AFRMCIPWRKKJNY-QMMMGPOBSA-N	229.280	-0.558	50	10	BBGE	
NNC(=O)c1coc(CN2CCCNCC2)c1	110594525	OMQZTWGOTBAGOY-UHFFFAOYSA-N	238.291	-0.322	50	10	BBGE	
COC(=O)[C@@H]1C[C@H]1C(=O)NNc1cnccn1	114882422	FXPRBAXDIAZDMN-RNFRBKRXSA-N	236.231	-0.271	50	10	BBGE	
O=S1CCN(C[C@H](O)CCl)CC1	156320122	XPUMJLPESHNACA-SSDOTTSWSA-N	211.714	-0.350	50	10	BBGE	
C[C@H](Sc1ncnn1C)C(=O)NN	164753992	CKMIABYHHGUFGS-BYPYZUCNSA-N	201.255	-0.714	50	10	BBGE	
COC(=O)NS(=O)(=O)NCCCCl	168535300	OCMYNUPSUJRPEN-UHFFFAOYSA-N	230.673	-0.194	50	10	BBGE	
CCOCCOc1cncc(B(O)O)c1	203524730	XOXUEBRINCHGOK-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
CCCC(=O)NN/C(N)=C/C(=O)OCC	210528200	JTWBRAJVZTXDIB-VOTSOKGWSA-N	215.253	-0.230	50	10	BBGE	
NCc1ccnc(C(F)(F)F)c1B(O)O	238689526	AKPOYPVYASKXGI-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
Nc1nnnn1CC(=O)NN=Cc1ccccc1	254316719	KVDZCCHCVRYQKF-UHFFFAOYSA-N	245.246	-0.594	50	10	BBGE	
OB(O)c1cnc(C(F)(F)F)nc1Cl	306272403	XIIUOEGDEZBHKY-UHFFFAOYSA-N	226.350	-0.171	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1COC[C@@H]1Cl	307041949	LJFMXDALMLEFHF-NTSWFWBYSA-N	241.696	-0.847	50	10	BBGE	
O=C(N[C@@]1(CCl)CCOC1)c1c[nH]nn1	307324511	HSOQWRUHJSZVJC-MRVPVSSYSA-N	230.655	-0.068	50	10	BBGE	
CC(C)[C@H](N)[C@@H](C)N1CCC[C@H]1B(O)O	308979957	RVRINQYEDJMMIP-UTLUCORTSA-N	214.118	-0.165	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[S@](=O)CC1	321896802	PMJUAARQUYULGI-ABKXIKBNSA-N	247.364	-0.401	50	10	BBGE	
CCOC(=O)CO[C@H]1CNNC(=O)[C@H]1Cl	379845857	HVVPPNLGUXISRO-FSPLSTOPSA-N	236.655	-0.824	50	10	BBGE	
CC(CO)(CO)Nc1nc(CCl)nc(=N)[nH]1	381105719	YUOCKBUNSVZPSY-UHFFFAOYSA-N	247.686	-0.822	50	10	BBGE	
NNC(=O)NN=Cc1ccc(O)cc1O	383717953	YDUKGQVCUBMRBC-UHFFFAOYSA-N	210.193	-0.395	50	10	BBGE	
N#Cc1cnn(C[C@H]2CC[C@@H](C(=O)NN)O2)c1	383835019	TZQHAAPIBZKOGR-BDAKNGLRSA-N	235.247	-0.708	50	10	BBGE	
CCCC1(O)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	384148787	OTFPUBNQDMQDDE-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC(C)c1cc(=O)n(CC(=O)NN)cn1	395615196	IFGSEJGASLONQO-UHFFFAOYSA-N	210.237	-0.643	50	10	BBGE	
COC(=O)c1ccc(CC(C)=O)c(B(O)O)c1	396141318	ZGVSLCSPYMQSNV-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCOC[C@H]1C	398928137	NYGSNVQDJUPUAI-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)CO1	401526682	OKCXCVCHJSQRAJ-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@@H]1CCCO1	404991241	CLCSQAMGNMOHIF-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
OB(O)c1ccn([C@@H]2C[C@H]3CC[C@H]2C3)n1	575470687	JQHVGRCFGXOTLQ-XHNCKOQMSA-N	206.054	-0.076	50	10	BBGE	
C[C@H](CO)CN(C)Cc1ccoc1C(=O)NN	688395282	NWEGCYUTUBFAAT-QMMMGPOBSA-N	241.291	-0.057	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]3CC[C@H]2C3)c1	694542534	CINPGNISLVCZSY-GUBZILKMSA-N	220.081	-0.001	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC1(F)F	701966405	SYLPSPVJHDRVNJ-SCSAIBSYSA-N	207.180	-0.862	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCCC1(F)F	702027959	BAAYSJPDSBROJU-ZCFIWIBFSA-N	221.012	-0.060	50	10	BBGE	
COC[C@@H]1CN([C@H](C)CCC(=O)NN)CCO1	705869824	PXBMJNQQFJNUBU-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CS(C)(=O)=Nc1ccc(B(O)O)cc1	708073176	LZFRKVMQPWZDBX-UHFFFAOYSA-N	213.067	-0.275	50	10	BBGE	
NNC(=O)c1ncc(Cn2ccnn2)s1	711260651	JIIYVJKSFCNASA-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H](F)[C@H](F)C2)O1	714558882	RSKAROLLYHGDPU-BGZDPUMWSA-N	249.261	-0.484	50	10	BBGE	
O=C(COC1CC1)Nc1ccc(B(O)O)cc1	716961253	FNGPCTODOIFOAV-UHFFFAOYSA-N	235.048	-0.516	50	10	BBGE	
CN(NC(=O)[C@@H]1CC(=O)N1)c1ccccn1	862747655	YQALVFIXZVXDHR-ZETCQYMHSA-N	220.232	-0.563	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)COCC(F)F	910139805	MGQMIPAOPYIJLL-LURJTMIESA-N	226.223	-0.388	50	10	BBGE	
C[C@@H](C(=O)NNc1nc[nH]n1)n1ccnc1	1183625082	WDBFYIJSLXKAFG-LURJTMIESA-N	221.224	-0.295	50	10	BBGE	
Cc1nnc(NNC(=O)CCn2ccnc2)n1C	1351618735	GTCPEJUFHBRZQX-UHFFFAOYSA-N	249.278	-0.147	50	10	BBGE	
Cn1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	1558977752	UXWZOUYUXCFEPB-PHDIDXHHSA-N	225.208	-0.472	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1	1568034042	XGQXTPTUIWBNEK-QMMMGPOBSA-N	236.231	-0.797	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)C(Cl)Cl	1865988430	JYLWMEXEAXNUEF-VKHMYHEASA-N	230.047	-0.560	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1Br	1877346643	AEKZXLOSUJSIFO-WNJXEPBRSA-N	249.108	-0.388	50	10	BBGE	
O=C(CBr)NC1(CO)COC1	1880338432	CRLKPZCVWBXHPM-UHFFFAOYSA-N	224.054	-0.741	50	10	BBGE	
C[C@H](O)[C@H](N)CNC(=O)[C@@H]1C[C@@H]1Cl	1883644970	KSBOHIQDNFMROO-BNHYGAARSA-N	206.673	-0.562	50	10	BBGE	
CC(C)[C@@H](S)C(=O)NN(C)S(C)(=O)=O	1888553896	DPQDTCCGJXJYNS-ZCFIWIBFSA-N	240.350	-0.137	50	10	BBGE	
O=C(NCc1sccc1B(O)O)[C@@H]1C[C@H]1F	1895381252	CHFPYYPVIWGXGA-IYSWYEEDSA-N	243.068	-0.598	50	10	BBGE	
NNC(=O)C1CCN(C2CCNCC2)CC1	1901255862	VYDDFCNCLCGEJY-UHFFFAOYSA-N	226.324	-0.560	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](O)C1(C)C)C(=O)NN	1902705374	DDBXNCMFNCGNQP-KWQFWETISA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CN2CC[C@H]1C2	1905727102	WRRLODXMEJICCL-UKKRHICBSA-N	238.335	-0.752	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@@H]32)o1	1907004743	LECUNERPFHBTIH-WCBMZHEXSA-N	237.259	-0.144	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]2(C1)C[C@@H](O)C2	1908478625	QPICLGHANAZEBI-UXCLJVHYSA-N	239.319	-0.541	50	10	BBGE	
CCN(C[C@@H](Cl)C(=O)O)S(C)(=O)=O	1913842986	FSPHUWPXFQMZLZ-RXMQYKEDSA-N	229.685	-0.040	50	10	BBGE	
CCn1cnc(N2CC(=O)OC(=O)C2)c1	1928118679	PQJFLOVVMDUPMF-UHFFFAOYSA-N	209.205	-0.207	50	10	BBGE	
Cc1ncn(CCOCC(=O)NN)c1C	1928180641	CVYUEBKGHVIVPT-UHFFFAOYSA-N	212.253	-0.494	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])[nH]1	1929837006	SQKXCQHPYZTIOC-UHFFFAOYSA-N	214.181	-0.850	50	10	BBGE	
Cc1nccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1936082421	FHWIUYJUEBAVSI-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C(=O)[C@H]1C	1936529596	MRIBNTPAHCCTDI-SFYZADRCSA-N	229.280	-0.893	50	10	BBGE	
CCCCN(CCO)CC1(C(=O)NN)CC1	1938249082	PHFONBUPJCNUGZ-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CO[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)C1(C)C	1939566281	INTSQLFFCYUVGT-RNFRBKRXSA-N	229.280	-0.752	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@H]3C[C@H]2CO3)c1	1940761204	FXRLJSAWJCNCIJ-YWVKMMECSA-N	236.080	-0.622	50	10	BBGE	
CC1(C)CC(=O)N(CC(F)(F)C(=O)NN)C1=O	1940895658	KJVRSLOQRGPJIO-UHFFFAOYSA-N	249.217	-0.603	50	10	BBGE	
CN(Cc1cnccn1)C[C@@H]1C[C@@H]1C(=O)NN	1941088878	HGZLOGDTFLXFOO-WPRPVWTQSA-N	235.291	-0.466	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@@H]3C[C@@H]32)CC1	1947653476	XORPOVHILPIKSS-LPEHRKFASA-N	235.287	-0.529	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951019705	VYUCPZLDYJNJBX-QHZLYTNSSA-N	241.335	-0.154	50	10	BBGE	
ClC[C@H]1C[C@@H]1NCCn1cnnn1	1954307350	BTRXKOVOTPBNGZ-RQJHMYQMSA-N	201.661	-0.110	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CC[C@H](O)CC1	1955472149	CNLLSGMOQVAQQJ-ZKCHVHJHSA-N	201.270	-0.788	50	10	BBGE	
C[C@]12CCCN(CC(=O)NN)[C@H]1COC2	1958559960	VDSHGRAFIQOTEW-WCBMZHEXSA-N	213.281	-0.523	50	10	BBGE	
CC(F)(F)[C@@H]1CCCN1C(=O)C(=O)NN	1958620045	ZCKPHQBPMRJENL-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CCN(C(=O)[C@H](C)Cl)[C@@H]1CC(=O)NC1=O	1961459593	DEHQOJAFCHDVDY-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
CC(C)N1CCN(c2ccc(B(O)O)cn2)CC1	1962722532	MDWXPIUVXJBGAL-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@]2(CNC(=O)N2)C1	1974906922	AGYOFBDPLGHKHU-IMTBSYHQSA-N	231.683	-0.102	50	10	BBGE	
CCCOC[C@H]1CCN(C(=O)C(=O)NN)C1	1976189152	VQDOGHAZEGNOPK-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CC(C)c1nc(CNC(=O)C(=O)NN)co1	1976805978	XVNPBNHGQZTNQG-UHFFFAOYSA-N	226.236	-0.596	50	10	BBGE	
O=C(NNCCO)[C@H]1CCn2nccc2C1	1978919190	JRQFXCQOXCVJAT-QMMMGPOBSA-N	224.264	-0.941	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1N(C)C(=O)C(=O)NN	1978957778	DHIAUUPVMQDQRS-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CN(C[C@@H]1C[C@@]12CC2(F)F)C(=O)C(=O)NN	1981256772	NSXPDVSOVACJFH-YLWLKBPMSA-N	233.218	-0.520	50	10	BBGE	
CCC[C@H]1CCN1c1ncncc1B(O)O	1981415672	HLCGPZGQSJTTRW-QMMMGPOBSA-N	221.069	-0.465	50	10	BBGE	
Cc1ncnc(N2CC3CC2C3)c1B(O)O	1981447188	JVHPEXPOKHPEEM-UHFFFAOYSA-N	219.053	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C2(CCCC2)C1	1982145560	NDTSQZQKRHXJRO-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](OC)C[C@H]21	1984069391	MEMSLBOIRPJRKL-SGIHWFKDSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1C(Cn2cccc(B(O)O)c2=O)[C@H]1C	1984106965	KIAOEEKGJBAPBD-YUMQZZPRSA-N	221.065	-0.570	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]12C[C@@H](CO)C2	1985562613	XMOLTXLGMYHXHT-QXEWZRGKSA-N	227.308	-0.398	50	10	BBGE	
CC(C)CN(C)C1CN([C@H](C)C(=O)NN)C1	1989654864	GXGDHLVIGRXYIL-SECBINFHSA-N	228.340	-0.363	50	10	BBGE	
NC(=O)NNC(=O)c1ccnc2[nH]cnc12	1989795305	FZUNTACEGLEZKS-UHFFFAOYSA-N	220.192	-0.729	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)[C@H](C)C(=O)NN	1990040621	GQRDQDNKWMRBEL-JXUBOQSCSA-N	229.324	-0.154	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)[C@@H]1CC(=O)NC1=O	1991651210	HHBOGGBPKLRIMX-RXMQYKEDSA-N	244.634	-0.819	50	10	BBGE	
O[C@H]1COC2(CN(CC3CC(Cl)C3)C2)[C@@H]1O	1991701086	BSDLSXDICGTHOK-HORUIINNSA-N	247.722	-0.190	50	10	BBGE	
COCCN(CC(=O)NN)[C@@H]1CCCOC1	1991760442	CYDDFGRXKIGVMJ-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C=C(CN1C[C@H](C)S(=O)(=O)[C@H](C)C1)B(O)O	1992167481	LGJIKTQAPCWGHT-DTORHVGOSA-N	247.125	-0.938	50	10	BBGE	
COCCO[C@H]1CCCN([C@@H](C)C(=O)NN)C1	1996761698	OVICAHLNTGXHEE-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1997586687	UIKBRUGIAMBGLS-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](OCCO)C1	2003872199	LFCVVYMZUZGCLC-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)CC1(F)F	2004910895	AAPRUHBXLKCDGE-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@@H](F)C1	2004916970	SDIPLXZCOHFMEK-MRVPVSSYSA-N	239.059	-0.515	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004917233	WACBCVBGDAILBO-UWVGGRQHSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnc(OCCOC2CCC2)nc1	2004924522	CWWXDGYQRNGBEI-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
CCCCN(C)c1ncc(B(O)O)c(OC)n1	2005013985	DXAXRAGPBBCGGH-UHFFFAOYSA-N	239.084	-0.599	50	10	BBGE	
C[C@@H](COc1cc(F)cc(B(O)O)c1)N(C)C	2008382152	WPJPUEUFBKXVGS-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2[C@@H](CO)[C@@H]2C1	2008868302	UZXYCNMGQBGEJJ-JIGDXULJSA-N	249.261	-0.828	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	2009520136	IRJJFQBVECDPSR-BDAKNGLRSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CO[C@@H](COCCCC(=O)NN)CO1	2009657349	YWCLGYRHPKZHLV-VIFPVBQESA-N	246.307	-0.033	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](N)CCC1(C)C	2018015754	LMABSNVTZZQFES-SECBINFHSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CC(CF)C2)O1	2018242581	LCSJSTHCRCUWKL-VHSXEESVSA-N	245.298	-0.185	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCC3(CC3)CO2)n1	2025106962	SECPKNJTZAJWCE-SECBINFHSA-N	236.080	-0.478	50	10	BBGE	
CN(C)C1CCN(c2ccncc2B(O)O)CC1	2052499526	VDWGKLNBEVIYIT-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCc1c(C=O)cc(C#N)cc1B(O)O	2060240493	OABXECNIJKUTQE-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CCc1ccc(C=O)c(C#N)c1B(O)O	2060241160	WXELQDIYBSRWIM-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CCc1cc(C#N)c(OC)cc1B(O)O	2060261589	XCCABNXNSCABBG-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
COc1cc(C=O)c([N+](=O)[O-])cc1B(O)O	2060278227	BZPCAGCEZBDYLU-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccccc1B(O)O	2079010123	NNPLVFKHWZOJRU-JTQLQIEISA-N	243.071	-0.396	50	10	BBGE	
NNC(=O)N[C@@H](C(F)F)[C@@H]1CCOC1	2210039032	GNBSATPKFIECMY-RFZPGFLSSA-N	209.196	-0.171	50	10	BBGE	
CCNC(=O)CSC[C@H]1CC[C@@H]1C(=O)NN	2211838041	BLMVXBOEGWOQEP-SFYZADRCSA-N	245.348	-0.128	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H](F)[C@@H]1CCOC1	2212186735	KMXCJXDGWUEAKC-IWSPIJDZSA-N	233.287	-0.329	50	10	BBGE	
CC[C@@H](Nc1ncccc1B(O)O)[C@@H](C)O	2212603422	FXUMMWRPOBKMFT-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H](O)C2)cc1B(O)O	2212605906	LSVKIOTWSFBATE-OCAPTIKFSA-N	222.053	-0.995	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2C3)c1	2212610918	RDCJJJLXAZMXIX-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H](O)[C@@H](F)C1	2215771031	FTCRQBFPOPLSJP-DOLQZWNJSA-N	245.298	-0.593	50	10	BBGE	
Cc1cnc(O[C@H]2CCC[C@H]2N)cc1B(O)O	2217168764	XRODUZIYQUXMDY-ZJUUUORDSA-N	236.080	-0.672	50	10	BBGE	
Cn1cc(COc2ncccc2B(O)O)cn1	2217174528	VJFYHBOYLKPDLN-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CC1(C)C[C@@H](CNc2ncccc2B(O)O)O1	2217180594	ILRRHFVRBSARGK-QMMMGPOBSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1NCC[C@H]1Nc1nccc(B(O)O)c1F	2217183921	LNUXCGZXPVYYOL-POYBYMJQSA-N	239.059	-0.937	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C=CCCN1	2217184094	MOKXUWCOQGWDGA-SECBINFHSA-N	234.064	-0.942	50	10	BBGE	
C[C@@]1(N)CCC[C@H]1Oc1cc(B(O)O)ccn1	2217186336	IXFGEMPVNSHJDM-MWLCHTKSSA-N	236.080	-0.590	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)CCCNC1	2217188859	UXJDIAJJWPMNKW-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
C#CCCN(c1ncccc1B(O)O)C1CC1	2217198363	AAGHFIKIDJKUAC-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
CC(C)[C@@](C)(CN)Nc1ccc(B(O)O)cn1	2217201209	XDWGRNPWUXKAIV-LLVKDONJSA-N	237.112	-0.453	50	10	BBGE	
COc1cc(Nc2cc(B(O)O)ccn2)nn1C	2223633399	WHAFXIHNMHPQBP-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
CC[C@@H](C)N1CC(Nc2ncccc2B(O)O)C1	2223638760	ZCVXJNQJRWDAEG-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1Nc1ccc(B(O)O)cn1	2223641305	SLQNBVWONXDGDE-CMPLNLGQSA-N	249.123	-0.440	50	10	BBGE	
C[C@](N)(CNc1ccc(B(O)O)cn1)C1CCC1	2223644421	IVGQMEFSQDQXEC-LBPRGKRZSA-N	249.123	-0.309	50	10	BBGE	
CC1(C)C[C@H](Nc2ccc(B(O)O)cn2)CCN1	2223670154	UBGIENSZCFMICS-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
C[C@@H](C#N)CN(c1ncccc1B(O)O)C1CC1	2223674333	KEFHLFXMEALYJY-VIFPVBQESA-N	245.091	-0.110	50	10	BBGE	
C[C@H](n1cc(B(O)O)cn1)C(F)(F)F	2242493745	MTVIIKDMXQCYKB-BYPYZUCNSA-N	207.948	-0.314	50	10	BBGE	
CCn1c(=O)cc(O)n(C[C@@H](Cl)C#N)c1=O	2243057863	CLJOTCLTCWJPCP-LURJTMIESA-N	243.650	-0.134	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ncsc1B(O)O	2243358431	HBDUGSJNHWKRRF-NTSWFWBYSA-N	240.093	-0.649	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@@H]1B(O)O	2243391304	IZORXDBZBCRJAX-BQBZGAKWSA-N	223.041	-0.769	50	10	BBGE	
C[C@@](F)(C(=O)NCC#CB(O)O)C(F)(F)F	2243702743	SFRZAPCVGJBKPD-ZCFIWIBFSA-N	240.949	-0.592	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CN(C)[C@@H](C)C(=O)NN	2243837860	MIGCMEQMLPPIKS-NGZCFLSTSA-N	229.324	-0.031	50	10	BBGE	
COCCCN(C)C(=O)c1ccoc1B(O)O	2247744094	NMEJJTRKAOPGIG-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
NC[C@@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750621	MCIISOCWRGQAAV-PSASIEDQSA-N	238.096	-0.809	50	10	BBGE	
CC(C)[C@@H]1CNCCN1C(=O)C1(B(O)O)CC1	2247751392	XCFMGQPHHWGHLT-VIFPVBQESA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCC(F)F)c1cncc(B(O)O)c1	2247774748	CEAGYWZSUNLJDR-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
CO[C@H]1C=CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786653	DTGWCUIQQSFTNN-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@]12CC[C@@H](CO1)C2	2247846560	IRLXAPKKXVGICX-NGZCFLSTSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CNC(=O)C#CB(O)O)[C@H]1C	2247847922	DNIRTVGFMYLPHO-AXTSPUMRSA-N	239.080	-0.823	50	10	BBGE	
COC[C@H]1CC[C@@H](NC(=O)C#CB(O)O)CC1	2247848680	PDNFDQDGYYGDLI-AOOOYVTPSA-N	239.080	-0.677	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247852359	SOCKXUFPFUYHTM-VIFPVBQESA-N	236.080	-0.387	50	10	BBGE	
C=CCONC(=O)c1cccc(F)c1B(O)O	2247854268	ZWAUXDYLYSBKCU-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCOC1	2247855070	MWTKXECAIYLQIT-XHHQTKHESA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247858244	CCDDGWJVWDDZER-DJAYFPKFSA-N	241.096	-0.079	50	10	BBGE	
CN(C)CC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247860074	RNOXSFZAKVCXKF-HORUIINNSA-N	240.112	-0.694	50	10	BBGE	
CCN(CC1CN(C)C1)C(=O)C1(B(O)O)CC1	2247879049	PMHQUJWYOUERPF-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CCC(O)(CC)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247896038	DFTCJTBZXACKJB-DTWKUNHWSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cnn(C)c1	2247896267	FWHOAWFAPCCVOH-YEPSODPASA-N	237.068	-0.540	50	10	BBGE	
CON(C)C(=O)c1cc(F)c(B(O)O)cc1F	2247941460	HCUUWWHKMDMMAA-UHFFFAOYSA-N	244.990	-0.722	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1ccc(B(O)O)cc1	2247981730	XPOYHHMDCYNLJQ-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
O=C(NCC#CB(O)O)C(F)(F)C1CCCC1	2248443265	YDSZURCPJREBKA-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
O=C(N[C@H](C(=O)O)C1CC1)C1CC(B(O)O)C1	2248586024	UNSVBLCSWRTXLY-RRQHEKLDSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)C1CC1	2248968355	LFOBEJAXABZFKZ-UHFFFAOYSA-N	234.064	-0.696	50	10	BBGE	
C[C@]12CO[C@](COc3ncccc3B(O)O)(C1)C2	2254931113	CCWLRBFEWIHPAI-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(OC)c(B(O)O)c1	2255500881	NPBLVABWOSXCAH-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1ncccc1B(O)O	2255518389	KFGFWPOZNFPIOZ-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
C#CCCCCNC(=O)c1cncc(B(O)O)c1	2255522638	MJZSFPAVGZMBQE-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC2CC(C2)C1	2255722279	MTRSMHWQVBFQIL-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1occc1B(O)O	2255740742	FIOGLAKYYLJCPL-SCZZXKLOSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)NN1CCCC1	2255908914	KEXDANQAQRBBML-UHFFFAOYSA-N	249.079	-0.501	50	10	BBGE	
O=C(NCC[C@H]1CCCCN1)[C@H]1C[C@H]1B(O)O	2298369105	JAPRKJVQLJFZJE-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](C2CC2)[C@@H](O)C1	2298370755	KVEVQGPMWJARFW-KYXWUPHJSA-N	239.080	-0.921	50	10	BBGE	
Cc1nc(OC[C@H]2CCN2C)ccc1B(O)O	2298956581	CHRKERKSVPJDEN-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCN(C)CC2)C1	2299231962	XIUIEXQTVKJXBO-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299945702	MGLVCSSRESWVSK-JBLDHEPKSA-N	241.335	-0.152	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	2300040860	BAZJIERLXWMZKT-DNRKLUKYSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1B(O)O	2302189455	ZAVXMIMBEYNSHY-CVPUBMOQSA-N	239.080	-0.515	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN[C@H]2CCC[C@@H]21	2302885259	OEHFROQZOXGDMW-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)N1CC[C@@](C)(B(O)O)C1	2303098491	YFTFCRBRPLJNSV-MWLCHTKSSA-N	242.128	-0.162	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CO3)cn1	2309902108	LMGGLKFJGULRPK-UWVGGRQHSA-N	248.286	-0.342	50	10	BBGE	
O=C1OC(=O)c2c(O)cc(=O)c(O)cc21	8217533	IECSWTFJOUGQFO-UHFFFAOYSA-N	208.125	-0.231	50	10	BBGE	biogenic,in-vitro
O=C(CCl)NC(=O)NCCn1ccnc1	42543246	QGIBDLCGTKDYGW-UHFFFAOYSA-N	230.655	-0.052	50	10	BBGE	
CCCNC(=O)CCNC(=O)NC(=O)CCl	45091334	QTPCEOVOULOOKC-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
CC(=O)NNC(=O)Cn1c(N)nc2ccccc21	75414623	LNFUGEDXXCAKHB-UHFFFAOYSA-N	247.258	-0.214	50	10	BBGE	
NCc1cc(-c2ccncc2)n(CC(=O)NN)n1	76834357	WMFYBUAZOSBVIL-UHFFFAOYSA-N	246.274	-0.606	50	10	BBGE	
NC1CN(CC(=O)NNC(=O)c2ccccc2)C1	87590196	XPETUFZBGMHLFD-UHFFFAOYSA-N	248.286	-0.910	50	10	BBGE	
CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NN)C1	132547921	BKSYYFVMBDQCRT-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
CCCN[C@@H]1COC[C@H]1C(=O)NN(C)C	147247728	YTTWEUHERWDXKN-RKDXNWHRSA-N	215.297	-0.406	50	10	BBGE	
CC[C@@H](CO)NC(=O)C(=O)NCCCCl	170359219	XKESIIFJCGWTIA-ZETCQYMHSA-N	236.699	-0.381	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NN(C)C(N)=O)O1	179696539	HCMLIAZSUFHPDV-NTSWFWBYSA-N	201.226	-0.404	50	10	BBGE	
OB(O)c1cnn(-c2cc(F)cc(F)c2)c1	203615237	TWTRIEVZIIBSCJ-UHFFFAOYSA-N	223.975	-0.170	50	10	BBGE	
O=C1CCCN1c1ccc(B(O)O)cc1	204259716	AXPKQCFRONJAQZ-UHFFFAOYSA-N	205.022	-0.507	50	10	BBGE	
NCCc1csc(-c2ccc(B(O)O)cc2)n1	211490589	SEBIXWCBKJLTGZ-UHFFFAOYSA-N	248.116	-0.009	50	10	BBGE	
COC[C@@H](SC[C@@H](C)CO)C(=O)NN	232421659	CIMKAHJFSKJFMS-NKWVEPMBSA-N	222.310	-0.647	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)S(=O)(=O)C1	306524223	XTPUHHPOLHUKRJ-RNFRBKRXSA-N	227.713	-0.132	50	10	BBGE	
C[C@@H](Br)C(=O)NCc1n[nH]c(=O)[nH]1	307206806	IXHPIPAFJSPKRE-GSVOUGTGSA-N	249.068	-0.502	50	10	BBGE	
COC[C@@H]1CCCCN1CCC(=O)NN	307783303	YURNYSIOHMBEQT-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](C)(CN)C1	309482762	ZYNSNYSBTKTEOV-ONGXEEELSA-N	228.340	-0.184	50	10	BBGE	
CC[C@H](CO)N(C)[C@@H](C)[C@@H](C)C(=O)NN	379011568	MXMPAXDGRCDRKJ-HRDYMLBCSA-N	217.313	-0.296	50	10	BBGE	
N=c1[nH]c(SCC(=O)NN)nc2c1CCC2	381014814	UGKSPFLTBOTDCH-UHFFFAOYSA-N	239.304	-0.540	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@@H]2C1	387044549	VDRQKZDOXGUILI-FSDSQADBSA-N	244.678	-0.408	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NN)[C@H]1[C@H]3C2	394367441	UIFBFXOUOSNARI-QKAWAISNSA-N	211.265	-0.075	50	10	BBGE	
O=C(CCCl)c1ccc(B(O)O)cc1O	396024843	SDJIFGILDXMSAU-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
N#Cc1cc(CC(=O)CCl)cc(B(O)O)c1	396079555	TWLHBRRDDAGXHB-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
Cc1ccc(B(O)O)c(CCC(=O)O)c1	396161521	ZTMNBACBVOMLDK-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
O=C(O)c1c(B(O)O)c(O)cc2ccsc12	396389421	VWFQMGOXXZPNEY-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)NCCNC(=O)[C@@H](C)Cl	397469693	XAIOVJKETDDJSP-RXMQYKEDSA-N	207.661	-0.341	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@H](C)[C@H](C)C(=O)NN)C1	398467498	CPBXSMBBDKNDFO-DJLDLDEBSA-N	242.323	-0.931	50	10	BBGE	
C[C@@H]1COCCN(Cc2ccc(B(O)O)cc2)C1	399587802	KOOLGUMGWGCAFD-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
NNC(=O)CCOCCOC1CCC1	400765987	UPYDHNQRUJRNKX-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2CCCO2)ccc1B(O)O	404967292	KESGBJJHVDXBQC-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
CN1NC(Br)=C=C1B(O)O	642857857	FAYCUHRUPOAZEW-UHFFFAOYSA-N	204.820	-0.833	50	10	BBGE	
CN1CCN(C(=O)CCCl)C[C@H]1CO	687597970	UYYWFXCBXDDJDU-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
COC(=O)CCN/C=C(/C=O)[N+](=O)[O-]	687807080	ZULFEONOSZJQFK-XQRVVYSFSA-N	202.166	-0.544	50	10	BBGE	
NNC(=O)c1cccc(CN2CCNC2=O)n1	696375075	HVPJEJGCNJKQIZ-UHFFFAOYSA-N	235.247	-0.790	50	10	BBGE	
CCN(CC)C1CN([C@H](C)CC(=O)NN)C1	697804424	KKXTVYRIJMLNMX-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2ccnn2)c1	699051352	SSCDNDHEBYNLHQ-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@H](CCF)C1	700560016	PPETXXLQTQAAGY-BDAKNGLRSA-N	249.286	-0.948	50	10	BBGE	
CN(C1CC(C(N)=O)C1)S(=O)(=O)CCl	703531875	YNVZVRVOLFRLAN-UHFFFAOYSA-N	240.712	-0.292	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706199303	DGPPMZFPIYAJDU-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2COC[C@@H]2C1	718252425	OPYUVHIZZOBWDM-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCS[C@@H](CO)C1	720069059	MDTZBVGTGOYRFB-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]3CCC[C@H]3O2)n1	720837578	GTRWUTZJLRLLTK-KXUCPTDWSA-N	236.080	-0.480	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1ncnc2c1=NCN=2	725683132	LUWHCXNDFNINOM-SCSAIBSYSA-N	225.639	-0.747	50	10	BBGE	
COC1(C(=O)NNC(=O)N(C)C)CC1	843778237	CZGHWFUCMUITMG-UHFFFAOYSA-N	201.226	-0.532	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)[C@@H]1COCCO1	845681371	VIPSFXJOTRGLQU-SFYZADRCSA-N	241.247	-0.901	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)c1cc[nH]n1	855355715	FMXALGIRJYJXMS-LURJTMIESA-N	226.236	-0.668	50	10	BBGE	
OB(O)c1cscc1CN1CC2(COC2)C1	1231944843	APLNZPDYDJVIHP-UHFFFAOYSA-N	239.105	-0.740	50	10	BBGE	
O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](B(O)O)C1	1261844094	BIYVFCWMCIUBQA-ZYUZMQFOSA-N	239.080	-0.371	50	10	BBGE	
CC(=NNC(=O)c1cn[nH]c1)[C@H]1COCCO1	1348410743	AJPUHJJRAKEUTQ-SECBINFHSA-N	238.247	-0.069	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)[C@@H]1CCCCO1	1468452178	WSSQPKOWKPDWMJ-QMMMGPOBSA-N	242.275	-0.382	50	10	BBGE	
O=C(NNC(=O)[C@@H]1COCCO1)c1cc[nH]c1	1545111656	ZEIJDRGXGAGQAL-QMMMGPOBSA-N	239.231	-0.809	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc(C#N)cn1	1558988807	HNXPGMOIGJYYDA-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
O=C(NNC(=O)c1cnc[nH]1)c1cc[nH]n1	1584322231	MEMARYMVCJXDPN-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
Cn1cc(C(=O)NNc2cnnn2C)cn1	1611378987	AZYUEYACFLZONC-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
COc1nccc(C(=O)NN(C)C(N)=O)n1	1632039470	OCMVPAIJIKYYDS-UHFFFAOYSA-N	225.208	-0.860	50	10	BBGE	
O=C(CBr)NCc1nnc(O)o1	1881526437	OVVNZZTUUVWPRL-UHFFFAOYSA-N	236.025	-0.214	50	10	BBGE	
COC(=O)[C@@H](CN)NC1CC(Cl)C1	1881718530	HHSAODLGWPTPCG-KPGICGJXSA-N	206.673	-0.154	50	10	BBGE	
NC(=O)N1CC(CNC(=O)CCl)C1	1882319447	OWMPLPSMKQKPIG-UHFFFAOYSA-N	205.645	-0.648	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC1(CO)CO	1883348958	GCVPMIMTADUMSG-ZCFIWIBFSA-N	207.657	-0.431	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NCB(O)O	1884890834	YQLJSEZRTNFKEJ-FBCQKBJTSA-N	206.985	-0.594	50	10	BBGE	
O=S1(=O)C[C@H](N=c2[nH]nco2)[C@@H](Cl)C1	1885008401	ASKKFNDTPRWUQP-WHFBIAKZSA-N	237.668	-0.692	50	10	BBGE	
CC(=O)NCCNC(=O)C=CC(=O)Cl	1893409987	DHPWFMFAUMYOHK-UHFFFAOYSA-N	218.640	-0.440	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCC2=O)O1	1896930003	RENDSEITLPWKAN-YUMQZZPRSA-N	227.264	-0.854	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@H]2CCCO[C@@H]12)B(O)O	1897283851	NORBDIPKAFVKJS-GMTAPVOTSA-N	225.097	-0.089	50	10	BBGE	
C#CCCOC(=O)N[C@H]1CCC=C1B(O)O	1900784476	HLLWUTQWSUSHIY-VIFPVBQESA-N	223.037	-0.163	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@]1(N)C[C@@H]1C	1901377203	LFTZHSHCTUUHHC-IONNQARKSA-N	249.336	-0.575	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@@H](C(=O)NN)C(C)C	1902088419	UDLRBEALFPFERK-NXEZZACHSA-N	231.340	-0.050	50	10	BBGE	
CN(C)CCOC[C@@H]1CCC[C@H](C(=O)NN)O1	1909804606	GVXHOJLLVLKXGO-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CN)C(C)(C)C1	1913127040	MKBNGESBLLPAMP-VIFPVBQESA-N	242.323	-0.930	50	10	BBGE	
CC(C)=CC(=O)Nc1ncccc1B(O)O	1913635288	OCZBEVGFPWBABE-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C)[C@@H](C)C(=O)NN	1916200171	JWVCCDCBATUBCM-CSMHCCOUSA-N	230.312	-0.933	50	10	BBGE	
CNC(=O)CCSC[C@@H]1C[C@H]1C(=O)NN	1927919441	INPBVTOCTBXONV-NKWVEPMBSA-N	231.321	-0.518	50	10	BBGE	
CC(C)(Cn1cc(B(O)O)cn1)C(F)F	1928109791	RTBQYOCNRUKMOZ-UHFFFAOYSA-N	218.012	-0.146	50	10	BBGE	
O=C(Cn1cnnn1)N1CCC(Cl)CC1	1928697270	XKVZPAZRFQBTAG-UHFFFAOYSA-N	229.671	-0.097	50	10	BBGE	
O=S1(=O)CC[C@H](CN2CC[C@H]2CCl)N1	1929727925	UXXIMKRHCCJSRA-SFYZADRCSA-N	238.740	-0.009	50	10	BBGE	
NNC(=O)CN1CC[C@H](O)C(F)(F)CC1	1930423625	VVZPYUHSYTYSBU-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)CCl	1931191736	YKPHSWIMLISFKB-UHFFFAOYSA-N	228.701	-0.767	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCOC1	1936095516	XWBQQSJQNFTKGF-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)CO1	1936533423	HQRHMLVBYQDHOH-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1=O	1938260822	VUXUHCWKXHJQNT-LURJTMIESA-N	225.248	-0.849	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@H](O)[C@H]2C1	1940886851	GMEAHKVVIKINAW-FXQIFTODSA-N	249.261	-0.686	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C[C@@H]1C[C@H]1C(=O)NN	1941083206	OFSUVLWQWCGKPF-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]2COC[C@@H]21	1941090302	NTISREZUAVWGJQ-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
COCCN1CCN(CCCC(=O)NN)CC1	1949135777	WHRCYFNVNYYCRJ-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)N1CC[C@@H](B(O)O)C1	1951322164	WQKIOCPFPYSKAR-RKDXNWHRSA-N	224.069	-0.037	50	10	BBGE	
O=S(=O)(CBr)N[C@@H]1CC[C@@H]1O	1951339429	JSDYMEGZSOQTLR-UHNVWZDZSA-N	244.110	-0.219	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccc(O)c(O)c1O	1952876309	FRRZNKAYKQNVLP-RNFRBKRXSA-N	210.189	-0.312	50	10	BBGE	
CCOC(=O)c1nc(C(=O)NN)cs1	1955326779	RDFHWHSNROQISR-UHFFFAOYSA-N	215.234	-0.077	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1C[C@H](O)CCl	1956251887	KQKGDQGOTFVGTG-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@H](O)C2)[nH]1	1958249585	JPIOAEFSYYQXTP-URHBZAFASA-N	229.671	-0.620	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2OCC[C@@H]2O1)C(=O)NN	1959595538	KGRJBDKVXHFPNQ-FXQIFTODSA-N	215.253	-0.552	50	10	BBGE	
CCOCC1CN(C[C@H](C)C(=O)NN)C1	1960431803	ZJOJFQUCPFDETC-QMMMGPOBSA-N	215.297	-0.419	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCN2CC(=O)NN)C1	1961388263	PQXPMUIVKDSRQA-RKDXNWHRSA-N	212.297	-0.998	50	10	BBGE	
OB(O)c1cnc(OCC2CCC2)nc1	1961688725	XBNZRFMYPKFNGL-UHFFFAOYSA-N	208.026	-0.665	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)N2CC(N)C2)CC1	1976183061	KNJWCBSMERAZAN-UHFFFAOYSA-N	242.304	-0.970	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(CF)C2)O1	1976239278	HDIHLYTXZDEEJW-IUCAKERBSA-N	231.271	-0.575	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@@H]1C	1981411924	PKZXGVAHCIREOE-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cccnc1N1CC(CCF)C1	1981424280	QXFRNEJXWMVNQU-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3CC2C3)n1	1981445372	HOQOWGYYLFBOKC-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)cc2F)cn1	1981465616	OYAWMWOSKORUGE-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC1(F)F	1984103041	ZSGIJQSLKCYQBC-LURJTMIESA-N	228.991	-0.817	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]21	1987061884	PQYWRVBNNHAGPS-AEJSXWLSSA-N	227.308	-0.278	50	10	BBGE	
CCNC(=O)N[C@H](C)c1cscc1B(O)O	1987174802	JGLRDWAQYWURHR-ZCFIWIBFSA-N	242.109	-0.192	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccon1	1990774018	CPZJEWLLXFFZHA-UHFFFAOYSA-N	226.236	-0.726	50	10	BBGE	
COCC(C)(C)N(C)CC(=O)NNC(C)=O	1990774158	FNSOTWHXDSZMMV-UHFFFAOYSA-N	231.296	-0.490	50	10	BBGE	
COC[C@H](O[C@H]1COCC1(F)F)C(=O)NN	1991603240	MMONPZCKKUIGMO-WDSKDSINSA-N	240.206	-0.958	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]2C2CCC2)c1	1992935173	VHAQBVVEFZTWEL-GXSJLCMTSA-N	220.081	-0.001	50	10	BBGE	
CC1(C)CC[C@@H]1Oc1ncncc1B(O)O	1994638733	XZFFUQPECOSQEG-QMMMGPOBSA-N	222.053	-0.276	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COC2(CCC2)[C@@H]1Cl	1995075721	YDTOAWNCQYMILQ-NKWVEPMBSA-N	243.698	-0.027	50	10	BBGE	
CN(CC1([C@H]2CCCO2)CC1)C(=O)C(=O)NN	2000456913	XQHIOACLJDCSDR-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CCCNC1=O	2004249969	SCJGEWOBIZCYMR-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CCN([C@H]1CCCCNC1=O)[C@H](C)C(=O)NN	2004300149	XQVIQVKOHJPGSN-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3OCC[C@@H]3C2=O)CC1	2004652083	PPBGGWHLEYWPBZ-JGVFFNPUSA-N	239.275	-0.996	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC2(CC2)C1	2004912729	XKNOYRGMFWJQBG-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(CCF)C2)n1	2005018751	XVWZHFLYWFZTAJ-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
CN(C)CCCOCc1ccc(B(O)O)cc1	2007020391	OAWLODVUTIZNIB-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2008047901	TWMPDYKJPRCOCA-KYXWUPHJSA-N	241.335	-0.154	50	10	BBGE	
CC(C)(F)C1CN(c2ncccc2B(O)O)C1	2009076941	YYIHKOAQWQQVCB-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1oc(CN2C[C@@H](O)[C@H]2C)cc1C(=O)NN	2011374580	TXINGKJXKMDQMV-LHLIQPBNSA-N	239.275	-0.243	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@H]3C2)nc1	2014769226	CRJNIDBFNQPSMJ-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
Cc1nc(N(C)C2(C)CCC2)ncc1B(O)O	2018410817	RIJPTUQQTSOBAK-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CO[C@@H](C(=O)N[C@H]1CCC=C1B(O)O)C(C)C	2020058002	WNQQGMLSWFWBSM-VHSXEESVSA-N	241.096	-0.126	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccccc1B(O)O	2022199762	JDWYPMFVWDPGEV-VIFPVBQESA-N	231.060	-0.540	50	10	BBGE	
Cc1ncc(OCc2cccnn2)cc1B(O)O	2031580902	VVDKJDWIRLXYMY-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCN(Cc1ccco1)c1ncncc1B(O)O	2052466579	JJWUMXBLAKDNEE-UHFFFAOYSA-N	247.063	-0.224	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC3(CCC3)C2)n1	2052622230	RBVOPLJOAZDDGX-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
OB(O)c1cccc(COCCN2CCCC2)c1	2055688163	PMLXAUZYNMTYQG-UHFFFAOYSA-N	249.119	-0.021	50	10	BBGE	
CC=C[C@@H](O)C(=O)NN(C)C[C@H](C)O	2059304547	AHIHLFYYTVTRGR-JGVFFNPUSA-N	202.254	-0.733	50	10	BBGE	
CCOc1cc(C)c(B(O)O)cc1[N+](=O)[O-]	2060033520	QMGRYTJOHVVDPL-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1cc(F)cc(B(O)O)c1C=O	2060112658	SOGBWCUAKKFYJA-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
Cc1nn(C)cc1C(=O)N[C@@H]1CCC=C1B(O)O	2076082644	WAEINMDTAZKTGA-SNVBAGLBSA-N	249.079	-0.441	50	10	BBGE	
COC[C@H](Cl)CN=c1[nH]ncn1C	2209272451	ZFWSUDXKPUPRLY-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
CON(C)CCNC(=O)/C=C/C(=O)Cl	2209505395	OHMRYXMTCVILCA-ONEGZZNKSA-N	220.656	-0.083	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cccc(B(O)O)c1	2211139329	DDFQXVNCPSHONW-VIFPVBQESA-N	223.081	-0.821	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H]1C[C@H]1C	2211603230	VRTSWYOEKOQIAR-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CCOC(=O)NCc1sc(C)cc1B(O)O	2211932037	IEMVVAZFTQVHFY-UHFFFAOYSA-N	243.093	-0.018	50	10	BBGE	
CC[C@@H](CN)Nc1nccc(B(O)O)c1F	2212604151	MTXQBZZHCQVHGL-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1OC[C@@H]2CCC[C@@H]21	2213157032	RZJZFPZDRURTIE-LPEHRKFASA-N	239.080	-0.514	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2216676635	HUSPJGKRKRVHSV-SKDRFNHKSA-N	239.319	-0.133	50	10	BBGE	
NCCOc1ccc(B(O)O)c(C(F)(F)F)n1	2217183409	LAIDNMNYXUWINW-UHFFFAOYSA-N	249.985	-0.882	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@H]3C2)cc1B(O)O	2217185498	YGBSDXIMWAAONU-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
C=CCC[C@@H](N)COc1ccc(B(O)O)cn1	2217190288	MKSUAMGMVROYMI-SNVBAGLBSA-N	236.080	-0.566	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCCN1	2217199186	KLKCWRIOHYYGET-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cn1)C(=O)OC	2217202791	ZXHLINDVXXJPJS-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2ncccc2B(O)O)O1	2217202932	NHRHGLFPLWAELG-BDAKNGLRSA-N	236.080	-0.259	50	10	BBGE	
C[C@@]1(O)CCCN(c2ncccc2B(O)O)C1	2217205169	UUFSSCNKWBFXNS-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CCC[C@H]1CNCCN1CC(=O)NNC(C)=O	2217309971	HFPHPHMLBDEKHK-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3OCCC[C@H]23)c1	2223632589	LSPZOTZBKQWOTE-GMTAPVOTSA-N	248.091	-0.259	50	10	BBGE	
Cc1cnc(NC[C@@H](N)C2CCC2)cc1B(O)O	2223648665	OIASHQUMMAHZRG-LLVKDONJSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN[C@H]1C1CC1	2223651261	WAAJNSROZPRXKF-QWRGUYRKSA-N	247.107	-0.686	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(B(O)O)cn1	2223661748	QWLNMCVZYHOMKB-OEIWMXHLSA-N	248.091	-0.734	50	10	BBGE	
Cc1ncc(CNc2ncccc2B(O)O)n1C	2223673116	WOFBUKJRWXHJEM-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C=C(Cl)CNS(=O)(=O)CC(=C)B(O)O	2241481924	XDZRSPJJYPGUEI-UHFFFAOYSA-N	239.489	-0.774	50	10	BBGE	
CCOCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241495747	LYVYBSOPUWXJPC-BQBZGAKWSA-N	201.031	-0.998	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ccoc1B(O)O	2243349019	DGOHZWIHKMAZII-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccoc1B(O)O	2243349457	LTHJARUVSOEOHR-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccsc1B(O)O	2243357990	AHYMAUXKHVIFBM-BDINMYNLSA-N	239.105	-0.188	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CC1)N(C)C	2243363781	MHIASQPKZRWFJY-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCNC1	2243364250	TXYDYAIWXVPPNB-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CCOC1CC(NC(=O)C2(B(O)O)CC2)C1	2243364252	TZDFYGFKTHIBQW-UHFFFAOYSA-N	227.069	-0.323	50	10	BBGE	
CC(C)(CO)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243382009	KFVBZORSZHIBHP-JGVFFNPUSA-N	229.085	-0.626	50	10	BBGE	
C#CCN(CC#CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243397291	YKGLKSYSZDQILS-UWVGGRQHSA-N	219.049	-0.666	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ncsc1B(O)O	2243398534	RBEVHQNWAWPTBN-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
Cc1sc(C(=O)N[C@@H]2C[C@H]2F)cc1B(O)O	2243413776	NFIDTQIWEWLHKW-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
C=C(CS(=O)(=O)NC1C[C@@H]2C[C@H]2C1)B(O)O	2243419898	IRMPGWUBXJMUMZ-YUMQZZPRSA-N	245.109	-0.728	50	10	BBGE	
CON(C)C(=O)c1sc(C)c(C)c1B(O)O	2243426705	KOZURUOMNLNXNL-UHFFFAOYSA-N	243.093	-0.322	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427268	SLYULNQKCAZVPH-UTLUCORTSA-N	221.065	-0.279	50	10	BBGE	
C=C(CS(=O)(=O)NCC[C@H]1C[C@@H]1C)B(O)O	2243433969	SGFHOLPBHUMUTJ-CBAPKCEASA-N	247.125	-0.480	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1csnc1B(O)O	2244144227	PPXHVGAEJSKSIJ-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccnc1	2244546042	GCFZVRTZXHGHRQ-UHFFFAOYSA-N	218.021	-0.783	50	10	BBGE	
OB(O)c1csc(OCc2cccnc2)n1	2246336296	KNNLVEBNUBNLIQ-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC(F)C1	2247752950	YQSANQGZTPHKNV-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(C)CCOCC1	2247790453	HNSSXDMDANFGGV-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1CC(CO)C1)[C@H]1C[C@@H](B(O)O)C1	2247791995	PQOCXAMVZTWOKC-OXYCZDQYSA-N	241.096	-0.626	50	10	BBGE	
O=C(NCCCN1CC=CC1)[C@@H]1C[C@@H]1B(O)O	2247796862	DLTIRCQEHYGXBV-ZJUUUORDSA-N	238.096	-0.773	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)O1	2247798346	SODNFFKJXPNXKR-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
CC(C)N(C)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247799416	CXECHFUHGUJVLJ-BBBLOLIVSA-N	242.128	-0.306	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)C1CC(B(O)O)C1	2247806628	NYSZYYFYYYNAGK-IDKOKCKLSA-N	243.112	-0.143	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCNC1	2247855617	VISRQVDVLMDYNN-JLIMGVALSA-N	240.112	-0.646	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)cc1C	2247858111	AVDUKFABVYHSTO-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)cn2)C1	2247867804	MXQVFGIPBDSXQG-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
COC[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247877137	CHNQEIHRDPWJDK-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCC1CC1)c1ncc(B(O)O)cc1F	2247877790	DHMGBGVVMUZXDV-UHFFFAOYSA-N	238.027	-0.960	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](O)C2(CC2)C1	2247895801	VLAMLNNDIGUCQW-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncccn1	2247899064	KEFKYKWBMGLKFW-RNJXMRFFSA-N	235.052	-0.483	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247899483	NOPPGYYADXRSKM-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
NCC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900584	YCETUPUBXAIJCN-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1CCNC12CC2)[C@H]1C[C@@H](B(O)O)C1	2247902288	DSQSYINFNCLNAB-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC=CC[C@@H]1CO	2247912002	ZZPSACSSDQKNFO-UDNWOFFPSA-N	239.080	-0.611	50	10	BBGE	
CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248573335	CNFRQPKILSNZJD-BYULHYEWSA-N	243.068	-0.391	50	10	BBGE	
Cc1coc(NC(=O)c2cocc2B(O)O)n1	2249416822	XQQOZLPUFMEHJX-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cocc2B(O)O)[C@@H]1C	2249418616	WMMQYERTXGXOTF-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCC[C@@H]2C[C@H]21	2250000692	MCBKVPKPDRSIOG-GMTAPVOTSA-N	235.092	-0.056	50	10	BBGE	
O=C(NC1CCCCC1)c1ccncc1B(O)O	2255452366	HYVNRABOMGUMIP-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2coc(B(O)O)c2)C1	2255453625	ITLZCYLQRBSGJD-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255466336	XFYWBSWFNYHXHS-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccc(O)cc2C1	2255466983	HCYAIADQFPATRX-UHFFFAOYSA-N	245.043	-0.708	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ncccc1B(O)O	2255518584	MORBHNMZCILJPS-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC2(CCC2)C1	2255523545	SRLIQZBXGWUZAF-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
CCN(Cc1cnn(CC)c1)C(=O)C#CB(O)O	2255670942	KIROJEZOEYQXQA-UHFFFAOYSA-N	249.079	-0.733	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)cn2)on1	2255718292	XFRZYQHAHSWEKV-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1cocc1B(O)O	2258134868	PNALBFAURBWRKU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2298209110	JQCAORLDKPURHF-WDCWCFNPSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1CN	2298368902	BJIAPBASIRAKJI-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@@H]21	2298371749	UIUBRULMSYXPKZ-MBXMOIHESA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@@H]12)C1(B(O)O)CC1	2298374938	GVYJEOPKZQEOTD-MAUMQABQSA-N	239.080	-0.874	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)[C@@H]1C[C@@H]1B(O)O	2298375716	XLJJBYQHUFJJNT-DZEUPHNYSA-N	239.080	-0.874	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377236	JJPLDXGLOGZLGF-KATARQTJSA-N	240.112	-0.552	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300193931	ZEUMBTBFHZUJIU-YTWAJWBKSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C[C@H]1O	2300381075	RNPHNJNLVCLHIH-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCCOCc1nnn2c1CCC2	2301186453	RQDKYHHTZZZNHM-UHFFFAOYSA-N	239.279	-0.489	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)CC1(O)CC1	2301867207	OTRAMPHSKRLXBU-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CON(C)C1CN([C@H](C)CCCC(=O)NN)C1	2302058339	DJHKDWLOIOJMGA-SECBINFHSA-N	244.339	-0.288	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1CC12CCC2	2302561252	GVDVPTMHZKRZAX-MRVPVSSYSA-N	234.064	-0.275	50	10	BBGE	
Cn1cc(CCCN2CC[C@H](B(O)O)C2)cn1	2303146256	FHPZTKIQZYXIJH-NSHDSACASA-N	237.112	-0.099	50	10	BBGE	
C#C[C@H]1N(c2cc(B(O)O)c(C)cn2)CC1(C)C	2314552630	HEGLMJHJNXUSKC-LLVKDONJSA-N	244.103	-0.082	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H](C#N)C1	2317162183	QNLCWCJHXGHGCR-VIFPVBQESA-N	241.059	-0.412	50	10	BBGE	
CN(CC(=O)NN)C(=O)c1ccccc1	36963049	BLVHWBBQZCPABC-UHFFFAOYSA-N	207.233	-0.252	50	10	BBGE	
C[C@H](CNCCCN(C)C)C(=O)NN	58846030	JDSOGTWEPKBXOH-MRVPVSSYSA-N	202.302	-0.846	50	10	BBGE	
NNC(=O)COCC(=O)NC1CCCCC1	58848175	GOPOVSDXTIHSQM-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
NNC(=O)c1cc(CN2CCCNCC2)on1	70543109	KBJUQUHIXFHERI-UHFFFAOYSA-N	239.279	-0.927	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CN2CCN1CC2	90698454	UQYAEEGWKPTXFV-SECBINFHSA-N	231.727	-0.269	50	10	BBGE	
CNC(=O)CN(C)Cc1ccoc1C(=O)NN	104116735	HXHQHGPTINWGKQ-UHFFFAOYSA-N	240.263	-0.939	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125788665	ZEPOLFDJZHVODB-ZRUFSTJUSA-N	241.335	-0.296	50	10	BBGE	
CSCC[C@H](NC(=O)NN(C)C)C(=O)O	149062572	LUPGQOCEAHMYMC-LURJTMIESA-N	235.309	-0.032	50	10	BBGE	
O=S1(=O)CCCN1C[C@H](O)CCl	156252830	RZCFVFFKPAMPCC-ZCFIWIBFSA-N	213.686	-0.378	50	10	BBGE	
COc1ccccc1-c1ncc(B(O)O)cn1	198019643	ITOGCHUFFNKAIA-UHFFFAOYSA-N	230.032	-0.168	50	10	BBGE	
COC[C@H](C)OCc1ccccc1B(O)O	203551704	YVLANRXUOIVAFY-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CC(=O)N(C)C	211988355	LEHMTRMOQXQQEB-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
CC[C@H](N)C(=O)N1CCCC[C@@H]1B(O)O	222268808	JSNFEIRIDQHISK-JGVFFNPUSA-N	214.074	-0.883	50	10	BBGE	
C=C(C)CCO[C@H](COC)C(=O)NN	232418738	UWXBULPWFISRDG-MRVPVSSYSA-N	202.254	-0.026	50	10	BBGE	
OB(O)c1ccnc(C2CCNCC2)c1	238651071	PBENDMCXVKFFLC-UHFFFAOYSA-N	206.054	-0.772	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1[C@H](C)C(=O)NN	251687289	IGFZARUNBVSLSG-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CS(=O)(=O)[C@H]1CCCC1=NNC(N)=O	252661233	VFSHKRSQTKQRKK-LURJTMIESA-N	219.266	-0.392	50	10	BBGE	
NNC(=O)[C@H]1NC(=O)C[C@H]1C(F)(F)F	306603754	DODNSNRKPULMQY-FONMRSAGSA-N	211.143	-0.957	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1COC(C)(C)C1	306622393	WJVKOYMKNUXJGQ-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccc(F)cc1	309441343	IOHZPXZRIWSPFO-UHFFFAOYSA-N	225.223	-0.194	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](C)[C@H](C)C(=O)NN	379011567	MXMPAXDGRCDRKJ-DJLDLDEBSA-N	217.313	-0.296	50	10	BBGE	
CCN(CC)C1[C@@H]2CN(CCC(=O)NN)C[C@@H]12	384323744	WONYEBQQMGMCSK-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
O=C1CN([C@@H]2CC23CCOCC3)CC(=O)O1	387128167	LQVQCAPZIOQEIW-MRVPVSSYSA-N	225.244	-0.059	50	10	BBGE	
O=C(O)CCc1cc(O)cc(B(O)O)c1	396064582	YOWAPXBDONLPKD-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
O=C(O)CCc1cccc(C(=O)O)c1B(O)O	396133145	OYNPHFFQPLVKCX-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
Nc1c(CO)sc2cc(B(O)O)ccc12	396237071	CDWSWTRTYOCRHD-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
NNC(=O)C(=O)N1CCC(F)(F)CC1	404947474	OFYRBICHVLEXEA-UHFFFAOYSA-N	207.180	-0.766	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)[C@H]1C[C@@H]1C	404996206	GTTDXNGGYXHHFP-CBAPKCEASA-N	249.075	-0.031	50	10	BBGE	
Cc1cnoc1C(=O)Nc1cc(B(O)O)ccn1	405017183	XZPVCFQAEDWSTA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@H]1C[C@@H]1OC	689961792	QXNXPMCALXQPKC-XVMARJQXSA-N	235.667	-0.082	50	10	BBGE	
Cn1ccnc1COc1ccccc1B(O)O	690876090	CQCLMLCGUUBUHT-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
O=C1CN([C@H]2CO[C@H](C3CC3)C2)CC(=O)O1	691930793	ZZNROJBFSKKKME-BDAKNGLRSA-N	225.244	-0.061	50	10	BBGE	
C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Cl	697200952	LKXITNPCNNCQRW-WDSKDSINSA-N	229.671	-0.091	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=O)c(O)n1	700890428	SUZIVPVUZOLVRH-UHFFFAOYSA-N	210.193	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)CC[C@@H]1CO	701576700	SVQZPFVNTKILAY-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
Cc1noc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)n1	703426471	YBYOXMBNCKBCEN-BQBZGAKWSA-N	237.215	-0.206	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H](C)[C@@H](O)CO	705159989	LMIPGLAIRIYHLK-VQVTYTSYSA-N	209.673	-0.281	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC	707521669	CJDSIIAYVBAENC-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cnc(C(=O)NN)s1	711157666	MCTRVROAFJQRKH-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)C1CC1	712303467	XSYQCCARSIUHBJ-UHFFFAOYSA-N	235.048	-0.277	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H]2C1=O)C(=O)NN	715549138	NZYLVCWDCVYSAX-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733776891	UVAAHCXYNQEXSY-BWZBUEFSSA-N	227.264	-0.096	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1noc(CC)n1	775412040	UQVPETYVXXUXJG-UHFFFAOYSA-N	241.251	-0.062	50	10	BBGE	
OB(O)c1cscc1CN1C[C@@H]2C[C@H]1CO2	1231947967	CSEVIZBRSXYJFT-IUCAKERBSA-N	239.105	-0.599	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1ccnnc1	1299508363	QGZGFJBCNADBHI-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
Cc1nnccc1NC(=O)NNC(=O)CCO	1320445223	AHTNZAXKNCTTEZ-UHFFFAOYSA-N	239.235	-0.680	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@H]1CNC(=O)C1	1451481310	XIMGVYZSSORWBX-KGOFQHAKSA-N	237.259	-0.317	50	10	BBGE	
COc1ccc(C(=O)NNc2nc[nH]n2)nn1	1472573716	BCYHJFYMGULLOH-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
Cn1cc(C(=O)C(=O)NNc2ccncn2)cn1	1556681621	PWOGMSYJKWQLFL-UHFFFAOYSA-N	246.230	-0.464	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1cn[nH]c1	1588289644	BPQKHIZSEXNPHX-UHFFFAOYSA-N	235.203	-0.599	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(Cn2ccnn2)o1	1624651659	KCVUIOUTPJDXBS-UHFFFAOYSA-N	249.230	-0.300	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnc2[nH]cnc2c1	1625912437	MWYSBDZQFFLCJV-UHFFFAOYSA-N	248.246	-0.126	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CCNC(=O)CC1	1637412751	XMSCCMPCQSYOQB-DTWKUNHWSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSC1CNC1	1882111282	WDVXFROSWHLORF-CAHLUQPWSA-N	201.295	-0.683	50	10	BBGE	
CC[C@H](C#N)C(=O)NN(C)S(C)(=O)=O	1888570950	AKXAPXDQDOOMME-ZCFIWIBFSA-N	219.266	-0.541	50	10	BBGE	
COCc1ccc([C@H](N)B(O)O)s1	1893624408	OVRXNGYRMPDLDX-ZETCQYMHSA-N	201.056	-0.094	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	1896272581	WWVCXDKOFFUZEX-IUCAKERBSA-N	224.308	-0.855	50	10	BBGE	
CN1CC[C@@H]1COCc1cc(B(O)O)cs1	1899516389	VFMAYEYPSVBVHL-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cnsc1B(O)O	1900474656	JEAYHKFIFRCMOS-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
CC(=O)CCC(=O)NN(C)S(=O)(=O)C1CC1	1901342677	PANZSTGTXXTEIH-UHFFFAOYSA-N	248.304	-0.189	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)C[C@]12CCOC2	1905724504	HAADLDRGSNRYHN-RNSXUZJQSA-N	239.275	-0.996	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1ncccc1B(O)O	1913617567	LOUGPVVOAIQORU-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CSCC(=O)NNC(=O)CC1OCCO1	1923922581	RZJSSBMUTUASRU-UHFFFAOYSA-N	234.277	-0.740	50	10	BBGE	
N#Cc1cccn1C[C@H]1C[C@@H]1C(=O)NN	1927906954	FIJAJUBDJLVGLG-APPZFPTMSA-N	204.233	-0.014	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@H]1C[C@H]1C(=O)NN	1927910217	DRCMODKLNQCBMG-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
O=C(NNCCO)c1cc(F)ccc1O	1929836444	JOWKTPZZQSEJDC-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)[C@@H](F)C1	1929909615	ICFKIQQBHOADTN-XAMCCFCMSA-N	219.260	-0.985	50	10	BBGE	
CNNC(=O)[C@H](OC)C1CCOCC1	1930601834	ZAGSISVHSINWCN-MRVPVSSYSA-N	202.254	-0.321	50	10	BBGE	
O=C1CN(CCc2nncs2)CC(=O)O1	1930995573	QZXKVAHWPDYFNO-UHFFFAOYSA-N	227.245	-0.534	50	10	BBGE	
CO[C@H]1COC[C@@H]1CNS(=O)(=O)CCl	1933412702	IBXNMGGSDKXMBQ-BQBZGAKWSA-N	243.712	-0.237	50	10	BBGE	
Cn1cc[nH]c(=NC[C@@H]2COC[C@@H]2Cl)c1=O	1939173405	RQHOHYSEBIBGHY-SFYZADRCSA-N	243.694	-0.132	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CC1(C(=O)NN)CC1	1939642036	RTLJCCVCWGURQP-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944742300	TUBGXMDOODZRSU-AEJSXWLSSA-N	243.307	-0.900	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCNC(=O)C(C)(C)C1	1945228878	ATHXOUKKOJVCKF-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(=O)NC(C)(C)C1	1945294276	TVCJAKYVVVEFOT-VIFPVBQESA-N	242.323	-0.789	50	10	BBGE	
CC[C@H](COC)OC[C@H]1CC[C@@H](C(=O)NN)O1	1945652865	ZQUYVOBMNKETGS-BBBLOLIVSA-N	246.307	-0.035	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1951321671	BMIYHVRKFOMZJD-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NNC(N)=O)O1	1955612462	AQBWOUDDZVQUET-WDSKDSINSA-N	201.226	-0.357	50	10	BBGE	
N#CC1CN(S(=O)(=O)NCCCCl)C1	1956213763	UOELKZONQRGSGR-UHFFFAOYSA-N	237.712	-0.095	50	10	BBGE	
CC(C)OCC1CN([C@H](C)C(=O)NN)C1	1960431650	YNFKRPUVYPFFED-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
CCN(C[C@@H](O)CCl)[C@H]1CC(=O)NC1=O	1961459202	ZXHVRMOVGRCHRP-BQBZGAKWSA-N	234.683	-0.677	50	10	BBGE	
CC1(C#N)CN(CC(C)(C)C(=O)NN)C1	1961494706	AJVIRKBIYUSGEC-UHFFFAOYSA-N	210.281	-0.152	50	10	BBGE	
CCCN(CC)c1ccncc1B(O)O	1961695639	GYSBODVRRQUOEH-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
NC(=O)C1(NS(=O)(=O)CCl)CCC1	1963531477	HBOWXVIHRNXMHA-UHFFFAOYSA-N	226.685	-0.490	50	10	BBGE	
CC[C@@H](O)CN(C[C@H](C)C(=O)NN)C1CC1	1978303245	AYRLGUPGNWOAPQ-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC2(CC2)C1	1980206280	XNFMNLOWHSZILW-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@@H](O)C1	1980522504	ZZOFFPLNIJNOED-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(F)(F)[C@@H]1C	1981248636	MXUGHSFVZJMZHR-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H](CN1CCC2(CC(O)C2)C1)C(=O)NN	1981994460	YFKOOFLLIYVPQU-SILCLGDVSA-N	227.308	-0.541	50	10	BBGE	
CC[S@@](=O)NCCc1ccc(B(O)O)cc1	1984065565	UGKOMMNQUUUQLB-MRXNPFEDSA-N	241.121	-0.818	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(CCO)C1	1987907321	OSKYOMIXBVDBHO-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
O=C(NCc1nc(CCl)no1)c1cnn[nH]1	1989650294	UEXMDVKOFUGPFR-UHFFFAOYSA-N	242.626	-0.144	50	10	BBGE	
COCCOC(=O)N[C@@H]1CCC=C1B(O)O	1991326053	CHHSYOIECALGDY-MRVPVSSYSA-N	229.041	-0.540	50	10	BBGE	
NN=c1ccc(C(=O)NC[C@H]2C[C@@H]2Cl)n[nH]1	1991431458	DWDIAVIHPAEQMP-RITPCOANSA-N	241.682	-0.459	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2[C@H]3CN[C@H]2C3)CC1	1994011652	RYPPSCRHMDRSQW-VWYCJHECSA-N	221.304	-0.055	50	10	BBGE	
CCCN1CCN([C@@H](C)CC(=O)NN)CC1=O	1996756404	RWLJVYYAPFNGFW-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2c2ncon2)CC1	1997764278	HGIMTHGTYOFMGI-SSDOTTSWSA-N	237.263	-0.414	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2000966718	IHRWKRBJUMUUAZ-XFWSIPNHSA-N	245.323	-0.918	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@]12CCOC2	2004929880	OUGUCMAYKLBTMG-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
CCCOCCCOc1ccncc1B(O)O	2004951300	LQXBZTQDOHPEND-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)cc2F)c(C)n1	2005008253	URZLMZWHXFJUAU-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCCCC2)C1	2006030901	SVHITTNAWJNXDE-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)CNC(=O)CN1CCCCC(=O)NN	2006926526	XHHZYNKUKAAFQQ-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
C[C@H](CCn1cccc(B(O)O)c1=O)C(F)F	2008844846	TVWYQIKTXVDQIG-SSDOTTSWSA-N	245.034	-0.181	50	10	BBGE	
CO[C@@H]1CCN(C(=O)NN(C)C)C[C@@H]1C(=O)O	2012158577	VSCHYTLTIIASQJ-JGVFFNPUSA-N	245.279	-0.406	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896877	FZBZEOHDPBQRJX-HWUMTFDVSA-N	241.335	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	2014265669	KFAPKOBJBXKOSF-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)CCOCC(=O)NN)O1	2019516615	PHFPOXWBMVFJGH-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CCOC1CC(CC(=O)NCC=CB(O)O)C1	2020057088	RHGWTTVWNLENDG-UHFFFAOYSA-N	241.096	-0.124	50	10	BBGE	
CN1CC[C@@H](OCc2cc(C(=O)NN)no2)C1	2021072035	NKMVHOSZJXVWKZ-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
C=C(CN1C[C@H](COC)[C@@H](COC)C1)B(O)O	2021164953	OIRFCDUITDVBRF-GHMZBOCLSA-N	243.112	-0.605	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccccc1B(O)O	2022196070	GHHFYXDTNRVMAL-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](O)C12CCC2	2023235611	CTNSYROGGHJWBC-IUCAKERBSA-N	241.335	-0.010	50	10	BBGE	
CCn1cnnc1COc1ccccc1B(O)O	2036124003	YPWSABVWFWSODI-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@@]2(C)C3)ncc1B(O)O	2052553729	KUKJJGMLAZJHKH-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
Cc1nc(N(CC2CC2)C2CC2)ncc1B(O)O	2052554827	ADZGMYNAMOOIEM-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)n1	2053735994	ONLBBVOIUGPWQA-CKEKPRIKSA-N	245.091	-0.691	50	10	BBGE	
CCOc1cc(B(O)O)cc(C#N)c1C=O	2060187040	BRUVWAORJNDKNX-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1C#N	2060286537	APCGJWLDSIKMTF-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1c(C#N)cc(B(O)O)cc1OC(F)F	2060302986	FQMAUBFICNHZPQ-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
CN(CC(=O)NN)Cc1nn(C)c2ccccc12	2064247235	DUVZYOMNMJINAZ-UHFFFAOYSA-N	247.302	-0.005	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@H]1COC2	2077831615	XXKFSVQCIBLMTR-UWVGGRQHSA-N	248.091	-0.481	50	10	BBGE	
CC[C@H](COC)C(=O)N1CC[C@H](B(O)O)C1	2208731294	CZABUFZAOQWFLQ-BDAKNGLRSA-N	229.085	-0.266	50	10	BBGE	
COc1cc(F)ccc1C(=O)NCB(O)O	2210477324	DXSARITXTJLKKR-UHFFFAOYSA-N	227.000	-0.424	50	10	BBGE	
CCOCCN(C)Cc1ccc(B(O)O)s1	2211077693	GJQKIZFLEOTMGR-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CC[C@H](CO)CNc1ncccc1B(O)O	2212601464	OHNIXXJYDWBSHZ-QMMMGPOBSA-N	224.069	-0.808	50	10	BBGE	
C=C(CCN)COc1cc(B(O)O)ccn1	2212607425	ANWMIXWABOHOEF-UHFFFAOYSA-N	222.053	-0.955	50	10	BBGE	
CCNC[C@H](C)Oc1cc(B(O)O)ccn1	2212608112	QBXGIXBRZASUPZ-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)ccn1	2212612533	LOYKLHCBFMNAKZ-SECBINFHSA-N	222.053	-0.890	50	10	BBGE	
O=C(Nc1nc(B(O)O)ccc1Cl)C1CC1	2212759886	YORLMRXDQQRODW-UHFFFAOYSA-N	240.455	-0.237	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2C[C@]2(O)C1	2215770119	AAULTEQDCJKYHU-BFLSOPEQSA-N	239.319	-0.541	50	10	BBGE	
CCN(C)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215772882	QPQTYFQFIZPRDL-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215776107	KXAOUOMRNHHTPH-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C(=O)N1C	2215776211	LLSMJPYRWQAYDS-VGMNWLOBSA-N	240.307	-0.242	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCCC[C@]2(CO)C1	2216722562	KDKAVALGEREOAX-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCCN1	2217172262	IRLGNJWGUBSVEF-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
CCC[C@@](C)(CN)Oc1ncccc1B(O)O	2217174697	XKJCDDJFXVLYDK-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
COC1CC(Nc2nccc(B(O)O)c2F)C1	2217179779	OHSVYMHISSZQTQ-UHFFFAOYSA-N	240.043	-0.510	50	10	BBGE	
CO[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2217181213	YQVHUASOSKRACO-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
Cc1cnc(N2CCO[C@@H]3C[C@@H]32)cc1B(O)O	2217184862	RPQAYCAJCHJRNL-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1NCC[C@H]1COc1ccc(B(O)O)cn1	2217188513	PDXDOYQSJIKRFI-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Nc1ccc(B(O)O)cn1	2217196209	QQJDQCOZBMDUSQ-UWVGGRQHSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3OCC[C@H]23)c1	2217203875	BGFRWAFIDOGBIW-OPRDCNLKSA-N	234.064	-0.649	50	10	BBGE	
CC(=O)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220065893	GSPDOQLQLJUGOX-LBPRGKRZSA-N	247.103	-0.223	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)c1ncccc1B(O)O	2223637803	HFDMDAHGXHWVPP-LBPRGKRZSA-N	244.103	-0.001	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCCCN1	2223651601	XZDDJNUENLSRLE-SNVBAGLBSA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CN3CCC2CC3)c1	2223663176	XJUKYCVICBOLCI-LLVKDONJSA-N	248.091	-0.766	50	10	BBGE	
C#CC[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	2223672862	CNUBHYAZVLCBTA-SNVBAGLBSA-N	245.091	-0.604	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23C[C@H](CCO2)C3)c1	2223676616	DEEQTQFONVPNEX-WVSHTKLVSA-N	248.091	-0.258	50	10	BBGE	
CCCN1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223678905	JJTWDUKNHDRVJL-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
O=C(N1CC(F)C1)C1(B(O)O)CCC1	2241473127	DEVLYZZCGIEQSJ-UHFFFAOYSA-N	201.006	-0.436	50	10	BBGE	
CCCN(OC)C(=O)c1csc(B(O)O)c1	2243349917	SKPMXTNNJDGNJI-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCO[C@H]21)C1(B(O)O)CCC1	2243365474	NBTRDKAHZSMLPA-XLPZGREQSA-N	225.053	-0.713	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CO1	2243366094	XJWYRPRQQSZNLW-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
C/C=C/CNC(=O)c1cncc(B(O)O)c1	2243374227	BXJBAINCWGGSLB-NSCUHMNNSA-N	220.037	-0.933	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COC[C@H]21	2243381475	GJSKHPHNUUVRAR-RBXMUDONSA-N	225.053	-0.903	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243383571	ZGFCLASCSDAMQO-CIUDSAMLSA-N	229.085	-0.628	50	10	BBGE	
O=C(Nc1cnccn1)C1CC(B(O)O)C1	2243392586	VECMDMHRVMIOGS-UHFFFAOYSA-N	221.025	-0.332	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2243396934	SPAUDAWGUAGCBL-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2243403748	CAZWCLMZFOTCEN-MAUMQABQSA-N	227.069	-0.467	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H]1CCC)B(O)O	2243412230	ISVUBQPBZWOUKS-DTWKUNHWSA-N	247.125	-0.337	50	10	BBGE	
Cn1nccc1NC(=O)C1CC(B(O)O)C1	2243414175	VEQHMBJMZLAZAE-UHFFFAOYSA-N	223.041	-0.388	50	10	BBGE	
CC[C@@H](C)NC(=O)c1c(C)nsc1B(O)O	2243415176	PRTTYPGSBVLQKM-RXMQYKEDSA-N	242.109	-0.340	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)co2)CCC1	2244206335	VBJCZTZLNUVMPO-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)co1	2244222768	WIAHPFFRXCJFTE-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
Cc1ncnc(O[C@H](C)C(F)F)c1B(O)O	2244241675	MFFQBXJQWCHNON-RXMQYKEDSA-N	231.995	-0.503	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@H]1CC2	2245199521	HDKQFLNGUKFNAQ-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCOCC(F)F	2246736379	ORBVZFYZGOVJSB-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(F)cc1B(O)O	2247751779	BXPJZAOHWLLOBK-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
O=C(NN1CCCCC1)c1occc1B(O)O	2247753730	BMTCMGKOAOTDRM-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
CC#CCNC(=O)c1cccc(F)c1B(O)O	2247755233	BUZRQTIORXWCFU-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC(C)(F)F	2247762691	GKFNPBFKRQQMLA-UHFFFAOYSA-N	246.022	-0.910	50	10	BBGE	
O=C(N[C@@H]1CC12CCNCC2)[C@H]1C[C@H]1B(O)O	2247798677	WFJHEGFOXGWNIQ-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799074	ZMBUEBPERNEDCR-TURQNECASA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)[C@H]1C[C@H](B(O)O)C1	2247799639	GHKREPHUJXMHCS-NQMVMOMDSA-N	245.059	-0.516	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1cn[nH]c1	2247800784	STNKOEPDWKVWBY-SXJRXYEXSA-N	237.068	-0.160	50	10	BBGE	
C[C@@H]1CC[C@](CO)(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247808941	NFLLFDQRRRYNEX-LOKLDPHHSA-N	241.096	-0.483	50	10	BBGE	
C=CCN(C)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810091	UQVAPLNOBCEUFW-ZJUUUORDSA-N	238.096	-0.822	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)C#CB(O)O)CCO1	2247848138	HQIXHMYISWUXJF-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@@H]1F	2247854658	GRVZMRCIDVVCOR-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1ccoc1B(O)O	2247866927	VLGYCGZIEUCUBX-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247872271	PRHVRCNCQIUJJG-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2occc2B(O)O)C1	2247874801	PJSKGWUILDEVFA-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
O=C(NCc1ncccc1F)[C@H]1C[C@H]1B(O)O	2247887236	LZCCESCPWBOCAK-NKWVEPMBSA-N	238.027	-0.300	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898388	CZKKXJYYNBIUOR-LPEHRKFASA-N	241.096	-0.125	50	10	BBGE	
CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C	2247900113	UBYBSVPIHGPHDK-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1ccccc1B(O)O	2247947394	VJTDEUWTEQGHCR-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC[C@H]2CC[C@H]1O2	2248368560	PZXVKHFRWMTJSI-XHNCKOQMSA-N	241.291	-0.465	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2248586462	BAQORLKFNHGXBM-XAMCCFCMSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(C#CCO)cnc1C(=O)NN(C)C	2248982055	VHGFWQBWACJIOY-UHFFFAOYSA-N	233.271	-0.060	50	10	BBGE	
C[C@H](CF)N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2249281560	NXOZBQXKJMYLIG-FBIMIBRVSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cocc2B(O)O)C[C@H]1C	2249431590	QJEXCBFHSLKNSY-FWWHASMVSA-N	237.064	-0.266	50	10	BBGE	
C#CC[C@@H]1CCCN1c1ncccc1B(O)O	2250002184	HYQRJRONBSPFEP-SNVBAGLBSA-N	230.076	-0.247	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2255524115	VMAQTQYSGLEDFG-VIFPVBQESA-N	248.091	-0.463	50	10	BBGE	
Cc1cc([C@H]2CCCN2C(=O)C#CB(O)O)no1	2255676691	VCUQBAWTNHRMJW-SNVBAGLBSA-N	248.047	-0.338	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cc(B(O)O)cn1C	2255692839	NVDMYKFCJJUMNA-QMMMGPOBSA-N	249.079	-0.873	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(C)c(B(O)O)c1	2255736916	VZMDZCJFHQSMCB-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
CN(CCC#N)C(=O)c1ccc(B(O)O)cc1O	2255952514	UZBCJVOCWGLQCO-UHFFFAOYSA-N	248.047	-0.942	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2O)[C@H]1C	2255953566	KOSNTBJAVDZYSF-YUMQZZPRSA-N	249.075	-0.448	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2258139301	VGMLMONPBJYSBC-NSHDSACASA-N	249.075	-0.004	50	10	BBGE	
CN(CC[C@@H]1CCO1)Cc1ccccc1B(O)O	2263990973	QFTOFPIUIKDZOF-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSC1=O	2297013272	YEUJEJFNANSUKL-RXMQYKEDSA-N	203.267	-0.076	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2C[C@H]1CN2)C1(B(O)O)CCC1	2298368026	IXFJMJYTWIODPQ-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2298375383	HSSOIAHJWABBDT-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCOCC1=O	2300384312	PZVKLPKJTHAXNV-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
OC[C@@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303837358	ZGFGUMGSTGQSKM-SECBINFHSA-N	240.043	-0.917	50	10	BBGE	
C[C@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)CN1	2303857488	FKTVXTWJDSEZFI-NKWVEPMBSA-N	240.043	-0.970	50	10	BBGE	
O=C(CCl)Nc1cc(=O)[nH]c(O)n1	1921593	IIVJMAXBJWQTDQ-UHFFFAOYSA-N	203.585	-0.347	50	10	BBGE	
CCN(CCOC)C(=O)CCC(=O)NN	58862163	UIIAJQGZWBLWQH-UHFFFAOYSA-N	217.269	-0.749	50	10	BBGE	
CCOC1CCN([C@H](C)C(=O)NN)CC1	82468932	LMKUDNQJFUAWJB-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCN(C2CC2)CC1	82471198	OSAUZVWCRVWFMB-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CC(C)[C@H](Sc1nncn1N)C(=O)NN	82472929	XHRDSKMVNXOGKE-YFKPBYRVSA-N	230.297	-0.902	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCN1C	86190400	AVKSCQQLWLDWKD-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CCN(CCCC(=O)NN)CC(C)(C)O	86275194	LECGPZKOKCPCGE-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(C)(O)CC1	88023275	JNZARNKAIJUBIY-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)N1CCN([C@@H](C)[C@@H](C)C(=O)NN)CC1	93071680	OQNOBBKSTFZLNW-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](CCC(=O)NN)Oc1cnn(C)c1	161338119	INJHPHFMUNDSAK-ZETCQYMHSA-N	212.253	-0.043	50	10	BBGE	
CCCNC[C@@](N)(CCCCB(O)O)C(=O)O	199738351	LXVUIUCLKJLDMR-JTQLQIEISA-N	246.116	-0.589	50	10	BBGE	
CCN(CC(N)=O)S(=O)(=O)CCCl	232301843	SYYUIJSBEUMGPW-UHFFFAOYSA-N	228.701	-0.638	50	10	BBGE	
CCN([C@@H](C)CN(C)C)[C@@H](COC)C(=O)NN	232420922	DBPMJCOKSAHOSA-UWVGGRQHSA-N	246.355	-0.737	50	10	BBGE	
COc1ccc(B(O)O)c(Br)n1	238429626	JLLVTPLRCVQONC-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
OB(O)c1cnccc1-c1nccs1	238637878	DQLHOOBOCFMUHB-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
CC(/C=C\C=NNC(N)=O)=NNC(N)=O	256072375	IIVSTKIIWBJSLD-HOKXVTTGSA-N	212.213	-0.759	50	10	BBGE	
COC[C@H](SCC(=O)NC(C)C)C(=O)NN	300892568	UUGASGOYOGHYHM-ZETCQYMHSA-N	249.336	-0.751	50	10	BBGE	
OC[C@]1(O)CCN(c2nnc(CCCl)o2)C1	313650264	ARFVNZDTZZGSEB-VIFPVBQESA-N	247.682	-0.216	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H](C)C(=O)NN	379003796	CHIUJGAAMBMEOL-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CO)[C@H]1C	385687213	OPAYAMOWUDYWIJ-QEYWKRMJSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCSC[C@@H]1CO	388088031	CODHNUPPDBOILK-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
COC(=O)c1ccc(CCC=O)c(B(O)O)c1	396140017	UZCPUELSOYBQEP-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
N#CCCc1ccc(CC#N)cc1B(O)O	396140356	VTHBVWDTEJQSBA-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H](C)CCl)S(N)(=O)=O	398236259	LZKVJOHMQJUIAC-WDSKDSINSA-N	242.728	-0.346	50	10	BBGE	
C#C[C@@H](O)c1ccc(OC)c(B(O)O)c1	606302475	MYNDUSMFHBFTTC-SECBINFHSA-N	206.006	-0.958	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@@H]2CCCC[C@H]2N1	685990252	HANQCZLOMRHKEK-BBBLOLIVSA-N	226.324	-0.548	50	10	BBGE	
NNC(=O)c1cc(O)cc([N+](=O)[O-])c1O	687810298	ZYXSBCMGPSXSPJ-UHFFFAOYSA-N	213.149	-0.391	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)C(=O)C(=O)NN	688144416	KCCMPIVKYVQBNA-JGVFFNPUSA-N	229.280	-0.894	50	10	BBGE	
Cn1nnc(C(=O)NCCCBr)n1	697199821	CTWNZCZQWNXMOM-UHFFFAOYSA-N	248.084	-0.275	50	10	BBGE	
CN1CCN(C(=O)CCCl)[C@H](CO)C1	699486791	NABFWOJIYHYHBW-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
CN1CCC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703439961	SOVMWNKTIAOVNO-UTLUCORTSA-N	238.287	-0.003	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H](O)C[C@H]1C2	710474958	GBSCFROLHOLFDW-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1C[C@H](C(=O)O)CO1	714058653	FRAVDZCIZIPEEK-NKWVEPMBSA-N	231.252	-0.748	50	10	BBGE	
C#CCC[C@@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	717914467	YMXCDXNNHBEBJK-UTLUCORTSA-N	237.255	-0.323	50	10	BBGE	
C[C@H](O)C1CN(Cc2cc(C(=O)NN)no2)C1	719806592	IPHBRTOZFKTWNI-LURJTMIESA-N	240.263	-0.909	50	10	BBGE	
CC[C@H](C(=O)NN)N1C2CCC1(CO)CC2	723023636	XNMMNEGVRHWDPG-INWMGODYSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@@H]1COC[C@@H]1O	725628251	WGSWLYSCVVFXDP-QYNIQEEDSA-N	207.657	-0.168	50	10	BBGE	
CNC(=S)NNC(=O)Cc1ccccn1	729161103	HFBRPTUTEWIGSU-UHFFFAOYSA-N	224.289	-0.251	50	10	BBGE	
C[C@@H](CO)[C@H]1CCCCN1CCC(=O)NN	829255032	WNAKYNXZNVYTBN-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@H](C)NC(N)=O	847395818	ZYWVWPPQEIPFCV-LURJTMIESA-N	245.283	-0.826	50	10	BBGE	
CNC(=O)CC(=O)NN=c1cc[nH]cc1C	862501988	YXYXQCLPNMFDFO-UHFFFAOYSA-N	222.248	-0.609	50	10	BBGE	
NC(=O)C1(C(=O)NNc2ccncn2)CC1	1298155658	UVSBUVZYDPIXIL-UHFFFAOYSA-N	221.220	-0.815	50	10	BBGE	
CNC(=O)NC[C@@H]1CN(C(=O)CCl)CCO1	1329682616	SANSMDBHGOTADB-SSDOTTSWSA-N	249.698	-0.618	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1ncccn1	1585302192	OJAQDWYVGMBFLW-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(NNC(=O)N1CCOCC1)[C@H]1CC1(F)F	1625943377	KLAPISLZQUPBNC-ZCFIWIBFSA-N	249.217	-0.285	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cccnn2)c1=O	1650857187	XKDBHCZXIBFOBX-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
CCC[C@](C)(O)C(=O)NNC(=O)c1ncon1	1653024557	JJDJGUJQIKZUOU-VIFPVBQESA-N	242.235	-0.618	50	10	BBGE	
O=S(=O)(CCl)NO[C@H]1CCOC1	1881250523	WHPDAHAWKYGQBG-YFKPBYRVSA-N	215.658	-0.177	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)C[C@H]1CN	1882311860	OBUCDNSFZMDYQP-BIIVOSGPSA-N	203.673	-0.489	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1C[C@H](O)C1	1883627792	ZHRRZVGCCZNLRP-IZLXSQMJSA-N	203.625	-0.053	50	10	BBGE	
CO[C@@H](C)COCCOCC(=O)NN	1886077613	XDYNMWSHRWJOQV-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
CN(NC(=O)CCCS)S(C)(=O)=O	1888571122	CPTZJXUJVMFZHU-UHFFFAOYSA-N	226.323	-0.381	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NNCCO	1889149618	ARNJYAQRIIHPTB-ZETCQYMHSA-N	204.270	-0.197	50	10	BBGE	
O=C1C[C@H](CNC(=O)[C@@H]2C[C@@H]2Cl)CN1	1893470139	PTZBWYYAGBVYQA-XVMARJQXSA-N	216.668	-0.134	50	10	BBGE	
CC1(C)CNC[C@@H](C(=O)CCl)S1(=O)=O	1894394516	QJZHTMYPRRILPV-ZETCQYMHSA-N	239.724	-0.041	50	10	BBGE	
C=C(CN1C[C@@H]2[C@H](C1)C2(F)F)B(O)O	1895169989	UZCDSVUCZQQHFW-KNVOCYPGSA-N	202.997	-0.249	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H](F)[C@H](CCl)C1	1895503211	BMSRSPMMYDRHTI-RNFRBKRXSA-N	247.661	-0.292	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN([C@H](C)C(=O)NN)C2	1899569010	KKLRMITXSCDNEF-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	1901250975	KOAKGLZBWOFXPC-YUMQZZPRSA-N	226.255	-0.450	50	10	BBGE	
CN1CCN(C(=O)CCl)[C@@H](CCO)C1	1902197296	IVHPMPWQOAOHQH-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](OC)C[C@@H]1CO	1906686137	HMIFMUOMEDPODF-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
CC(C)(CN1CC=C[C@@H]1CO)C(=O)NN	1909054490	DTQXXHJPFKIPMH-MRVPVSSYSA-N	213.281	-0.765	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC2)cn1	1910221050	HBWSRSGOXFYUAA-UHFFFAOYSA-N	206.249	-0.109	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2COCC[C@H]21	1928027363	UKUJQHIIBMWBMA-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
CC(C)[C@@H]1CCN1CCOCC(=O)NN	1928182152	WIFCWLMBOXRKGI-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
O=C(NNCCO)c1ncccc1Cl	1929836001	BHTYQWDOMZFIFI-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)C[C@@H]1O	1930115749	JXFMLESSYBPRGC-BGZDPUMWSA-N	215.297	-0.544	50	10	BBGE	
CN(CCCl)C(=O)[C@H]1CCS1(=O)=O	1930861861	LMDGMPJVEJDZLF-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
CCSC1CN([C@H](C)C(=O)NN)C1	1933225513	JIFOVJVIIFFUOX-ZCFIWIBFSA-N	203.311	-0.198	50	10	BBGE	
CC(C)CN(CCO)[C@H](C)C(=O)NN	1933488835	UOLZZETZEJJMIX-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCO1	1936094142	KTUWBGMSHCJLKZ-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
CCON(C)Cc1cc(OC)ccc1B(O)O	1942616736	SIBITBMSSYOGMX-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@](N)(C(=O)O)C1	1957255272	DZANRXQSWUTXLL-POYBYMJQSA-N	217.656	-0.395	50	10	BBGE	
CC[C@@H](O)CN(CCC(=O)NN)C1CC1	1959802806	AJKZGNKTLHSNCK-SECBINFHSA-N	215.297	-0.398	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C(C)(C)C1	1961546393	CNNMIHCQOZCCGR-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
COCCSc1ncnc(C)c1B(O)O	1961710574	RTOQVZYTHGZDOB-UHFFFAOYSA-N	228.082	-0.797	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)[C@H]1CCCO1	1974878288	BKRCLCJWEQFNMF-RITPCOANSA-N	233.293	-0.955	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975302549	FWZDFMOTEITSCR-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CN(C)CCOCC(=O)NN	1977235261	OVSCCIUKKBQUCE-MYJAWHEDSA-N	229.324	-0.173	50	10	BBGE	
C=C(CCl)CN(CC(=O)NC)CC(=O)NC	1978822186	PNMSGUTVFZLQMG-UHFFFAOYSA-N	247.726	-0.425	50	10	BBGE	
CSCCN1CCN([C@H](C)C(=O)NN)CC1	1981082818	NGWMJFSEBCBQDX-SECBINFHSA-N	246.380	-0.655	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](F)C2)c(Cl)c1	1981472981	VTMROKSAORGUOM-SSDOTTSWSA-N	244.462	-0.037	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](F)C[C@@H](F)C1	1985768469	YOTSPBOTJNLFQO-BWZBUEFSSA-N	237.250	-0.627	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@H](n2cncn2)C1	1986220774	CWUGHLKIRRVUFB-ZKCHVHJHSA-N	225.252	-0.622	50	10	BBGE	
CCN(CCC(=O)NN)Cc1cnnn1C	1991244640	GAECWQVHYOKNHG-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@@H]2COC[C@H]21	1991655642	YGUXPDQVLPWJHV-HTQZYQBOSA-N	244.678	-0.493	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]1c1ncon1	1997769466	ZWLXLPSOZBRGBH-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1c(C(=O)NN)cnn1C	2003505728	HBZMCTFQMMKXHZ-LURJTMIESA-N	237.263	-0.856	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2c1ncc(B(O)O)cn1	2004911139	CYFGYTYHMHHTKQ-LDYMZIIASA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCCOC2)c(F)c1	2004934187	CNPZCIANRGYPLM-QMMMGPOBSA-N	241.027	-0.542	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1C[C@H]2C[C@@H]2C1	2008840433	MGHDRXWUSCOMLX-UWVGGRQHSA-N	233.076	-0.426	50	10	BBGE	
Cn1nnc2cccc(C(=O)NNC(N)=O)c21	2012302581	PPNGKIXZASNVEQ-UHFFFAOYSA-N	234.219	-0.719	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@H]2C2CC2)CC1	2014006138	JKSRZUDMWFSGJE-VHSXEESVSA-N	239.319	-0.398	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	2022195852	BTRWRSBXBRJDGH-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]1C1CCOCC1	2022474586	LWHMYNFWWKYVOS-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CC(=O)N1CC12CC(C(=O)NN)(CO1)C2	2023846724	NDNROHOVKOMRQZ-CAZGOSDBSA-N	239.275	-0.854	50	10	BBGE	
C=C(CN(C)C[C@@H]1CCc2nccn2C1)B(O)O	2077482758	JOAOQHOGCSAIDL-NSHDSACASA-N	249.123	-0.055	50	10	BBGE	
C=C[C@@H](CC)O[C@@H](COC)C(=O)NN	2210034412	XQBHSBBNXRGYTK-YUMQZZPRSA-N	202.254	-0.028	50	10	BBGE	
C[C@H](CN(C)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)NN	2211533127	UZUFUGOTHYPDCN-ZYUZMQFOSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1C(Nc2nccc(B(O)O)c2F)[C@H]1C	2212604786	SPTBZZABEYTVJF-WDSKDSINSA-N	224.044	-0.033	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(B(O)O)cn1	2212608414	JBOUSEXQBVSUDC-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
CCCCCCN=c1ncc(B(O)O)c[nH]1	2212613181	SXKDKHNHMONVIZ-UHFFFAOYSA-N	223.085	-0.430	50	10	BBGE	
Cc1ccn(Cc2cscc2B(O)O)c(=O)c1	2214603707	UMWNSZXAPGMKAW-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CC(C)(O)C1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215775795	IYTHDCUUBJCPJC-WPRPVWTQSA-N	241.335	-0.295	50	10	BBGE	
CCc1ccn(-c2cc(B(O)O)c(C)cn2)n1	2217162919	LUDCIEXZUVMBDJ-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
OB(O)c1ccnc(NCc2ncc[nH]2)c1F	2217180092	FFWTYWOBGRFXNK-UHFFFAOYSA-N	236.015	-0.764	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217183428	LGPAODGLOMOKNF-VHSXEESVSA-N	236.080	-0.341	50	10	BBGE	
CC(C)(C)[C@@H](CO)Nc1ncccc1B(O)O	2217184886	RWMPDAPGMPIALH-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(OCCCC2CNC2)c1	2217186714	OBOMDRODRPOBKI-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
CC1(C)C[C@@H](N)[C@@H]1Oc1ncccc1B(O)O	2217187397	YBBFKVQEDFVHAT-BDAKNGLRSA-N	236.080	-0.734	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C1CCC1	2217196907	VNHHPKKTDCZWRW-JTQLQIEISA-N	231.064	-0.630	50	10	BBGE	
CC[C@H](C[C@@H](C)O)Nc1ccc(B(O)O)cn1	2217200296	JIBKLUGLGDPSFR-PSASIEDQSA-N	238.096	-0.277	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(c1cc(B(O)O)ccn1)C2	2217200941	BOMBGJRKWSPNPC-ONGXEEELSA-N	234.064	-0.871	50	10	BBGE	
CC(C)[C@@](C)(O)CNc1ncccc1B(O)O	2217203273	RXXYHKVLXMTZER-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@]1(C)CN	2223633497	XKYZZSKCBKIIPM-CABZTGNLSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@H]3CNC[C@@H]32)c1	2223637119	OFTAOAXWBGQWSF-DVVUODLYSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CCNC[C@H]21	2223638751	MTEXEMFLHRUOOH-IVZWLZJFSA-N	247.107	-0.971	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](C2(O)CC2)C1	2223647410	ABAMDDMVRVCOMQ-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccc(OCC2CC3(CNC3)C2)nc1	2223650695	PTVCHXXMTMYXKQ-UHFFFAOYSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](O)C2(CCC2)C1	2223674282	KBJWODKJLSYCAT-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
NNC(=O)CCOCCOC(F)(F)F	2241284115	KPLMVLFBSFOPAI-UHFFFAOYSA-N	216.159	-0.081	50	10	BBGE	
CO[C@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2241496045	OUHZIVBDHFLEBX-DSYKOEDSSA-N	201.031	-1.000	50	10	BBGE	
C[C@H](O)CN(CCN)C(=O)[C@H]1C[C@@H]1Cl	2241675815	JLQDNPPQAYPOTL-FXQIFTODSA-N	220.700	-0.218	50	10	BBGE	
NC(=S)NNC(=O)[C@]12COC[C@H](C1)C2	2242142669	VNUOVPSFBWZUGI-AIDJGGAASA-N	215.278	-0.723	50	10	BBGE	
O=C(N1C[C@@H]2[C@H](C1)C2(F)F)C1(B(O)O)CC1	2243365327	LBRGMRFVYQHZBI-OLQVQODUSA-N	231.007	-0.283	50	10	BBGE	
CC1(C)CC(=O)N(C(=O)C2(B(O)O)CC2)C1	2243365741	RINRLABRWHVTQI-UHFFFAOYSA-N	225.053	-0.222	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1COC(C)(C)C1	2243403727	BSVWCSAOLLIDPR-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1NCC[C@H]1NC(=O)C1(B(O)O)CCC1	2243410638	FNUUOFFQKFUUHA-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
CC(F)(F)C(=O)NCc1ccc(B(O)O)s1	2243684524	BANAUACVUGYWLE-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243753122	RAYCEMFXUYBVJZ-VQVTYTSYSA-N	229.041	-0.972	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1nscc1B(O)O	2244149445	JIHLJHIGYFWNPJ-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
O=C(NCCC1CCC1)c1ccoc1B(O)O	2247741004	SOFBDCGRKRIFNB-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC1(C)C[C@H](O)C[C@@H](NC(=O)C#CB(O)O)C1	2247741339	YBZIOMLMHIUXTP-RKDXNWHRSA-N	239.080	-0.942	50	10	BBGE	
O=C(N1CC[C@@]2(CCN2)C1)C1(B(O)O)CCC1	2247750877	PGHHYJJEPHWJEZ-JTQLQIEISA-N	238.096	-0.652	50	10	BBGE	
CN(CC(C)(C)C)C(=O)c1cc(B(O)O)n[nH]1	2247783541	GZLAGTHVRAPLND-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247786397	AALQEZTZEUZREM-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)CN(C)C	2247787563	QOQKCPVOCBDJKG-LPEHRKFASA-N	242.128	-0.447	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787879	VZSKEEAJTWTHEW-AEJSXWLSSA-N	243.112	-0.237	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)oc1B(O)O	2247788295	CQXCEBBJAJXTKJ-OCAPTIKFSA-N	235.048	-0.640	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247798193	QWVDNOJPUXISFR-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247807612	RGUURIYXTIFBOG-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCc1cccnn1)[C@H]1C[C@H](B(O)O)C1	2247808264	UFZBRDANZHYEAD-ZKCHVHJHSA-N	235.052	-0.654	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccn(C)n1	2247810183	VLYROKZKMHGUGK-PRJMDXOYSA-N	237.068	-0.540	50	10	BBGE	
CC(C)[C@H](N)CCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247859719	OKYICBVIBLFQJT-KXUCPTDWSA-N	242.128	-0.319	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)nn1C	2247873150	FUHGWGOSUNUGNT-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)ccc1B(O)O	2247875135	TURBNRYGSHNUHJ-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
CC1CC(N(C)C(=O)c2occc2B(O)O)C1	2247879913	WQJVEUFIZVJTRB-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
COCC(COC)NC(=O)C1CC(B(O)O)C1	2247892653	FJVLWKDKHUEXCV-UHFFFAOYSA-N	245.084	-0.983	50	10	BBGE	
CCN(CC)CCNC(=O)C1CC(B(O)O)C1	2247893703	WRXRKJLREHKBSR-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
COC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894039	BPKVRZYULWTKHN-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897048	NMERESSPOCMWTI-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1cnco1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247904972	SAOJDCMMADTWLB-OCAPTIKFSA-N	238.052	-0.114	50	10	BBGE	
O=C(NC1CC(CF)C1)c1cocc1B(O)O	2249423115	HPXYDLGSWFXJDS-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1cc(B(O)O)co1	2249433900	RXYHLCOMXNCCEE-FKQCQYRASA-N	241.027	-0.563	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2255572874	DCMIJOSCMCKPOU-SECBINFHSA-N	249.075	-0.084	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)ccc1CN	2255673743	SNFWOXQZNLMKCE-UHFFFAOYSA-N	248.047	-0.892	50	10	BBGE	
NC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccccc1	2255687571	JKFHGCVBNZPZKF-MXWKQRLJSA-N	248.091	-0.335	50	10	BBGE	
O=C(NCCc1cccnc1)[C@H]1C[C@@H](B(O)O)C1	2255772149	ASCQQTGYCOTICN-PHIMTYICSA-N	248.091	-0.007	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1O	2256016626	LEDLHHDXBPRSMR-MRVPVSSYSA-N	249.075	-0.304	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1nccnc1B(O)O	2256068542	BZEPNQAUURTPDE-HTQZYQBOSA-N	249.079	-0.925	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1occc1B(O)O	2257072591	VYXXHLVRCHUYNT-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@H]1CN2CCC1CC2)[C@H]1C[C@H]1B(O)O	2298376020	BUPIQGHLEMILTI-AEJSXWLSSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCCN(C)[C@@H]2C1	2299137431	QNGKWBGLDJJLDH-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2CC1(CO)C2	2299769154	YMGNQCBFQHGJSA-UVCIYIGYSA-N	239.080	-0.777	50	10	BBGE	
CN(C)CC1(F)CCN(CCC(=O)NN)CC1	2300071386	AJAMJHIYIHAZPN-UHFFFAOYSA-N	246.330	-0.268	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@@H]1CCCCO1	2300231933	AKPDJYLKDMMUCM-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
C=C(CN1C[C@H](OC)[C@H](OC)[C@@H]1CF)B(O)O	2302225516	WMTQLVLABJJWDK-LPEHRKFASA-N	247.075	-0.762	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@]23C[C@H](CO2)C3)C1	2303111806	NBTTUVJBQFDDNL-INTQDDNPSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](CO)C[C@@H](C2)C1	2303455434	WARPHTKVUZBETA-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2304297584	HTPJKEFILXMFNA-XKNYDFJKSA-N	241.096	-0.533	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	2312518784	PYVGVPQPAWVSNK-CQZONYGUSA-N	249.314	-0.131	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1cncc(B(O)O)c1	2312856816	SRNNAOHKLUOPDB-GGVZMXCHSA-N	246.075	-0.710	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317152013	XGFWUDMNMWGEOZ-BDAKNGLRSA-N	248.091	-0.333	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)CN1	2317307751	DGOBBKBLHJEGGM-KCJUWKMLSA-N	248.091	-0.659	50	10	BBGE	
NC1(COc2ccc(C=O)c(B(O)O)c2)CCC1	2317351916	QCKCKIWAQQCNTB-UHFFFAOYSA-N	249.075	-0.561	50	10	BBGE	
CCNC(=O)CN(CC)C(=O)NC(=O)CCl	42371118	ZEKCBNSFTSJARE-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CCCCCCNC(=O)COCC(=O)NN	58848219	CQTJFHCYKXYXKJ-UHFFFAOYSA-N	231.296	-0.311	50	10	BBGE	
C=CCN(CC=C)C(=O)COCC(=O)NN	58850075	VJVQTTRXVXRLIZ-UHFFFAOYSA-N	227.264	-0.807	50	10	BBGE	
Cc1cn(CCCC(=O)NN)nc1[N+](=O)[O-]	69760523	JBNSJJZMYUJKMJ-UHFFFAOYSA-N	227.224	-0.130	50	10	BBGE	
Cc1ccc(=O)n(C(C)(C)C(=O)NN)n1	71773373	SRMOVYMGDWWWOA-UHFFFAOYSA-N	210.237	-0.723	50	10	BBGE	
CN(CCC#N)C[C@@H]1CC[C@H](C(=O)NN)O1	82466437	NGDHTRBVFBTFOE-DTWKUNHWSA-N	226.280	-0.631	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)CCO1	82467638	JIFSGYVXVARJNZ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
Cc1cc(=O)n(CCCC(=O)NN)cn1	82468569	YBBMLTDHIBMUJG-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
COC[C@H](O)CN(C)CCCCC(=O)NN	82470799	SVQFFLJYIMTEPM-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
Cc1n[nH]c(SCCCC(=O)NN)n1	82473181	ROTVXCNAKZAGRP-UHFFFAOYSA-N	215.282	-0.025	50	10	BBGE	
NC(=O)CCN1CC[C@H](Br)C1=O	82606979	XUYSQKSSXNJNPU-YFKPBYRVSA-N	235.081	-0.142	50	10	BBGE	
CCCc1nnsc1C(=O)NNC(N)=O	83582693	CLWPATKVTOMXIF-UHFFFAOYSA-N	229.265	-0.196	50	10	BBGE	
CC(C)(CCl)C(=O)NC(CO)CO	83692241	NMDQEIIRDKAYNS-UHFFFAOYSA-N	209.673	-0.279	50	10	BBGE	
CN(C)[C@@H]1CCCN(CCCC(=O)NN)C1	84421002	CORHUMKEDAWXCW-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(=O)N1CCCN(C[C@H](C)C(=O)NN)CC1	110589465	PTCDOKKAYOWYAQ-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@@H]1CO	111762213	FUCNGYIDBPRVKZ-MRVPVSSYSA-N	239.275	-0.160	50	10	BBGE	
COC(=O)N[C@@H](C(=O)NN)C(C)(C)C	116895441	UEUCJJITPXHGSU-YFKPBYRVSA-N	203.242	-0.253	50	10	BBGE	
CCCN/C=C(/C#N)C(=O)N(CCO)CCO	217114789	VXALRZFIRZTVKN-KTKRTIGZSA-N	241.291	-0.793	50	10	BBGE	
COCCN/C=C(/C#N)C(=O)NCCCl	217236056	KJLBBJLERXNMDV-FPLPWBNLSA-N	231.683	-0.015	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCCCO	227113676	CWUAQGDBLLHRCM-UHFFFAOYSA-N	231.296	-0.752	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCN(C)C1=O	230276599	ONXSVWSBIRBBQE-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC(C)(C)C1	232419251	VQARKWDHYDEDGY-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CN(C)CCCN1CCC(=O)NN	235616206	OABMITYCSMCSGH-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@H]1CO	251163545	CLNOTBXHDLGHRS-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCCN(C)C1	251534034	KLICYQYGGUKDKE-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)N(C)C	264603884	YECLAUXPONKNOL-UHFFFAOYSA-N	203.242	-0.286	50	10	BBGE	
CO[C@@H]1COCC[C@]12CC(=O)OC2=O	306323656	MLUHEPWWSMKJSB-MUWHJKNJSA-N	200.190	-0.118	50	10	BBGE	
CCOC[C@H]1CCCCN1CC(=O)NN	313462904	KYCLSJSAEPSIML-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)[C@H]1CCOC1	313762559	UEARSIHTRVWFEE-ZDUSSCGKSA-N	249.119	-0.104	50	10	BBGE	
CN(CCC(N)=O)C(=O)NC(=O)CCCl	381922691	MNGKCBZHROWYEH-UHFFFAOYSA-N	235.671	-0.341	50	10	BBGE	
OB(O)c1cncc(OCCn2ccnc2)c1	386185689	AQWKEQJDYXJFFE-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CCOC(=O)c1ccc2nc(B(O)O)oc2c1	396113899	OLCIQNWQFQGQIE-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
Nc1cc2ccc(CO)c(B(O)O)c2s1	396253695	VMOVMYVMYIFHIV-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)CC(C)(C)C(=O)NN	399973248	JSWBCVDTKXAFTN-ZKANADHPSA-N	249.380	-0.299	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC2(CC2)C1	400359944	XNJJMJXHMBMWLT-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccns1	404476663	RTXFFQAHUIYTQD-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1CC1	405007307	CWAKZTLRRDXANF-UHFFFAOYSA-N	219.049	-0.607	50	10	BBGE	
O=C(CCCl)NCCN1C(=O)CCC1=O	405395153	SMKSEOZQFMXPCV-UHFFFAOYSA-N	232.667	-0.120	50	10	BBGE	
O=C(NCB(O)O)Nc1ccccc1F	575451111	FNRJCYWBXSFQGY-UHFFFAOYSA-N	211.989	-0.041	50	10	BBGE	
COC[C@@H](CN(C)[C@H](C)CCC(=O)NN)OC	691289699	ZYPHVNLHMHUCRZ-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CO[C@H]1CCC[C@@H]1n1ccc(B(O)O)n1	694277870	USLSWUKCARVKCY-YUMQZZPRSA-N	210.042	-0.697	50	10	BBGE	
OB(O)c1cnn(CC2CC(F)(F)C2)c1	694562525	FVCJKMLLPZXUIQ-UHFFFAOYSA-N	215.996	-0.392	50	10	BBGE	
COC[C@@H](Cl)CCNCc1nnnn1C	697724339	SUFHKKRVCHAAFJ-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@]1(C)CO	698216506	SOCQVRYQWKXVFM-OOZYFLPDSA-N	221.684	-0.042	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)nn1	701472292	BCKXKUDCGBGOJB-CRCLSJGQSA-N	214.612	-0.838	50	10	BBGE	
C[C@H](CO)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703476339	HZCLAZLYGFSRKJ-XGEHTFHBSA-N	227.260	-0.080	50	10	BBGE	
C[C@H]1CCN1Cc1ccc(B(O)O)cc1	706810871	DMLKJPYIJUOEDR-VIFPVBQESA-N	205.066	-0.039	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H]2C[C@H]21	706928060	KIEKJSSTZACTDK-BXKDBHETSA-N	217.077	-0.039	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(n2ccnc2)C1	707388102	FYBALRATQKYOGM-SNVBAGLBSA-N	237.307	-0.246	50	10	BBGE	
C[C@@H]1CN(C)CCN([C@H](C)CC(=O)NN)C1	707565062	QNEYHUKRGZCXLE-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CC(=O)N(C)CC(=O)NN=c1cc[nH]cc1C	862503866	IUAZLSRHADRSEU-UHFFFAOYSA-N	236.275	-0.267	50	10	BBGE	
CC[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CO1	863151068	GXMFGVQFIBAATQ-BDAKNGLRSA-N	239.275	-0.064	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1cccc(F)n1	908171605	RHLDDIVMGNWSOW-MRVPVSSYSA-N	243.238	-0.204	50	10	BBGE	
CCn1ncc(C(=O)NN(C)C[C@H](C)O)n1	910145571	VMNXDOUEZGMXBL-ZETCQYMHSA-N	227.268	-0.745	50	10	BBGE	
O=C1CCC(=O)N(C[C@@H](Cl)C(=O)O)N1	953101531	IJPLINSBMOTRJT-SCSAIBSYSA-N	220.612	-0.668	50	10	BBGE	
O=C(CCCc1nn[nH]n1)NNC(=O)C1CC1	1540361645	GGWMKFNEUXOTSV-UHFFFAOYSA-N	238.251	-0.920	50	10	BBGE	
CCO/C=C(\C#N)S(=O)(=O)c1nncn1C	1542990730	HEUZHJJVKIDACX-FNORWQNLSA-N	242.260	-0.010	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H](Br)C1	1881354011	RCCCHWLYMRQEKO-JPYJGEKTSA-N	236.069	-0.141	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883639928	PTHIZCVTXADXGG-JWXFUTCRSA-N	207.657	-0.528	50	10	BBGE	
CCOCCN1CC[C@](C)(B(O)O)C1	1891492707	PKRNKDKBJAVJLN-VIFPVBQESA-N	201.075	-0.038	50	10	BBGE	
O=C(NC1(CCO)CNC1)[C@@H]1C[C@H]1Cl	1893454216	UQONMGZCSPRLCK-RNFRBKRXSA-N	218.684	-0.546	50	10	BBGE	
Cn1c([C@H]2C[C@H]2Cl)nnc1S(N)(=O)=O	1893471207	ZUIZOAHSJXYDDW-IUYQGCFVSA-N	236.684	-0.443	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(F)(F)F)C(=O)C(=O)NN	1894329247	XLBKPFZLMAIVIM-WHFBIAKZSA-N	239.197	-0.367	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@H](F)C1	1900260401	QICFRTFSKRLUJI-DTWKUNHWSA-N	233.287	-0.329	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@H](F)C1	1900260402	QICFRTFSKRLUJI-IUCAKERBSA-N	233.287	-0.329	50	10	BBGE	
C=C(C)CC(=O)Nc1ncc(B(O)O)cn1	1902407586	VCEOVTMOGZEAPL-UHFFFAOYSA-N	221.025	-0.939	50	10	BBGE	
CC(F)(F)COc1cc(B(O)O)c(F)cn1	1903024590	RNZWGMCGXKHBOV-UHFFFAOYSA-N	234.970	-0.066	50	10	BBGE	
CS[C@H]1CC[C@H]1N(C)CCOCC(=O)NN	1905229815	MFRWTQCXLGHIHV-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
O=C(NCB(O)O)C1CC(C2CCC2)C1	1910347246	DCJJOJNGOLBSFZ-UHFFFAOYSA-N	211.070	-0.059	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1ncccc1B(O)O	1913605400	GBOROJQKVRURHM-HQJQHLMTSA-N	234.064	-0.254	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ncccc1B(O)O	1913627887	HTKVLZVBLRHBSY-UHFFFAOYSA-N	232.048	-0.641	50	10	BBGE	
C[C@H](CN(C)CC1(O)CCC1)C(=O)NN	1914572071	SRMTXLMXQQOKAV-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCC(=O)O)CC1	1917075199	XYWGYJDIURJUAF-UHFFFAOYSA-N	244.272	-0.053	50	10	BBGE	
C[C@@H](N)CS(=O)(=O)N1CC=C(C#N)CC1	1917091397	CICNQBIZCVJTCC-MRVPVSSYSA-N	229.305	-0.181	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@]2(CO)C1	1928556103	CXFUOGJDFODHFP-WCBMZHEXSA-N	213.281	-0.929	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1F	1928693134	XUNOGQZXGCGKIJ-RRKCRQDMSA-N	205.233	-0.967	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](O)C[C@H]2C1	1931413250	PPAVXVHMYGLTOR-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
CN1CCCC[C@H]1C(=O)NNC(N)=S	1931431621	AADNRMJRJQXVJD-LURJTMIESA-N	216.310	-0.665	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@H]1CC(=O)NC1=O	1932172781	WGAZJDLPBISPQL-YFKPBYRVSA-N	232.667	-0.217	50	10	BBGE	
CC(C)(C)O[C@H]1CCN(CC(=O)NN)C1	1933280224	HHXDEVWYZCXQKI-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1COC[C@H]1CNS(=O)(=O)CCl	1933412705	IBXNMGGSDKXMBQ-RQJHMYQMSA-N	243.712	-0.237	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@@H](F)C1	1936025950	HYKXQVADNZXLOK-JBDRJPRFSA-N	233.287	-0.594	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@H]1COCCO1	1939100108	DCUBEGBPGDOIGX-ZCFIWIBFSA-N	240.206	-0.956	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@H]2C1=O	1940086221	BJBCFANZEVVYOA-NTSWFWBYSA-N	233.218	-0.520	50	10	BBGE	
CN1CC(N(C)Cc2cc(C(=O)NN)co2)C1	1941727095	ZJBNSXVQAIOJSH-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
OB(O)c1cncc(OCc2cccnn2)c1	1941974925	LPJJYWICNJEXSY-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@H](CO)[C@H]2C1	1944547564	JJLWCFVZKVSYNH-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cnc(O)c([N+](=O)[O-])c1	1952955907	CIUYETQVBDRAHI-BQBZGAKWSA-N	224.176	-0.420	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC(O)(CO)C1	1953700182	KFKAPUXTXCTYBJ-RXMQYKEDSA-N	238.081	-0.665	50	10	BBGE	
CC[C@@H](Cl)C(=O)N(CCO)CCO	1954508412	WNDHHSVDGDOQQN-SSDOTTSWSA-N	209.673	-0.183	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](F)[C@H](F)C1	1956624867	GITIRJRBPDODOR-QYNIQEEDSA-N	207.224	-0.253	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CN(C2COC2)C1	1956849535	ZYLWZSDMXHOCJH-LURJTMIESA-N	218.684	-0.187	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958774652	JHQVRXVBTNHUCQ-SYHAXYEDSA-N	233.695	-0.186	50	10	BBGE	
C[C@@](O)(CO)CN1CCC(O)(C#N)CC1	1960837407	XHLDPPKRFXKJSH-VIFPVBQESA-N	214.265	-0.920	50	10	BBGE	
Cn1nnc(CN2C[C@H](Cl)[C@H]3COC[C@@H]32)n1	1975949669	DHKCEROSWBCKAO-CSMHCCOUSA-N	243.698	-0.352	50	10	BBGE	
CN(C)C(=O)C1(NC(=O)NC(=O)CCl)CC1	1976536356	OBMSYPLQRGPSSA-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
COCC1CC2(CCN2[C@@H](C)C(=O)NN)C1	1976891637	HTQAQCRCKVKDDN-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)NC(=O)N[C@H](CB(O)O)C(=O)O	1976986269	BXUJVMGNLHFDRR-RXMQYKEDSA-N	232.045	-0.990	50	10	BBGE	
Cn1nnnc1N1CCN(CCCl)C(=O)C1	1981024066	HLYLAPPEWHULNN-UHFFFAOYSA-N	244.686	-0.903	50	10	BBGE	
CCCN(C[C@H](O)CCl)[C@H]1CC(=O)NC1=O	1981041241	NGXOTFCTRINEDL-SFYZADRCSA-N	248.710	-0.287	50	10	BBGE	
NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1	1981090801	HTMMAUKCWJVTBN-MRVPVSSYSA-N	226.280	-0.344	50	10	BBGE	
Cc1nc(O[C@@H](C)C2CC2)ncc1B(O)O	1981422996	XCSSEYOJMBHKII-ZETCQYMHSA-N	222.053	-0.358	50	10	BBGE	
NNC(=O)NCCOC(=O)N1CCCCC1	1984397515	WCLHPGJRJDHGAT-UHFFFAOYSA-N	230.268	-0.218	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC(F)(F)C1=O	1985703299	UCTZRMMYTHKSDS-UHFFFAOYSA-N	243.160	-0.521	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)C[C@H](F)C1	1985766940	JDMMVDXVWGJFBR-WDSKDSINSA-N	243.204	-0.007	50	10	BBGE	
C[C@]1(CCO)CCN(CCCC(=O)NN)C1	1987907579	PXUSXUBCXSZPMJ-LLVKDONJSA-N	229.324	-0.149	50	10	BBGE	
CCCCS(=O)(=O)N[C@H]1CCC=C1B(O)O	1991326467	HBPLOFGPFVANAF-VIFPVBQESA-N	247.125	-0.193	50	10	BBGE	
COc1csc(C(=O)NCC#CB(O)O)c1	1992168386	ZOWDXARTKOVNHX-UHFFFAOYSA-N	239.061	-0.498	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](C1)O2)C(=O)NN	1992327301	XRWZGRMFLRTNNR-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCN1Cc2ncsc2C1	1993510346	IYAADNCRIXZEGY-UHFFFAOYSA-N	242.304	-0.535	50	10	BBGE	
C[C@@]12CN(CCCCC(=O)NN)C[C@@]1(CO)C2	2001045827	KFIJJGXUVAMKJB-VXGBXAGGSA-N	241.335	-0.149	50	10	BBGE	
N#CC1=CCN(C(=O)C2CC(O)(CN)C2)CC1	2001706467	MFCCXVBNSYUOKX-UHFFFAOYSA-N	235.287	-0.232	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@H]3C[C@H]32)n1	2004487655	ZNGBPKYIAALEPO-SFYZADRCSA-N	238.247	-0.749	50	10	BBGE	
OB(O)c1cncnc1-n1ccnc1C1CC1	2005008239	UOXQNIQMWXHIHN-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
NNC(=O)CCCCOCCN1CCOCC1	2007036156	KOXDOOIXWRFLHC-UHFFFAOYSA-N	245.323	-0.505	50	10	BBGE	
CN(C)C1CC(Oc2ncccc2B(O)O)C1	2012099761	NNSSCYKTRVPSSQ-UHFFFAOYSA-N	236.080	-0.767	50	10	BBGE	
COC12CC(C1)N(c1ncccc1B(O)O)C2	2013072752	YTIJHJGZCYZRBK-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
CC(C)CN(C)C1CN(C[C@H](C)C(=O)NN)C1	2017469150	QGLUNJFTLIHIJX-JTQLQIEISA-N	242.367	-0.116	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCN1C	2019210910	OYAREHQGYLXXHT-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
Cc1nn(C)c(C)c1C(=O)NCC=CB(O)O	2020069040	XHFMPXQHKZJFOU-UHFFFAOYSA-N	237.068	-0.665	50	10	BBGE	
CO[C@@H]1C[C@@H]1COCc1cccc(B(O)O)c1	2022703261	YGZHPPAKQRPNSV-ZYHUDNBSSA-N	236.076	-0.082	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1ncccc1B(O)O	2025663405	VDHZGWZZVATJNZ-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)C1(F)CC1	2025669923	ONDRUCQVOJVYBC-UHFFFAOYSA-N	241.002	-0.054	50	10	BBGE	
Cc1cc(CN(C)C[C@@H](C)C(=O)NN)ncn1	2025894894	FHAYOGQDBMPCPS-MRVPVSSYSA-N	237.307	-0.157	50	10	BBGE	
CN(CC(=O)NN)CC1C[C@H]2COC[C@H](C1)C2	2026031623	TVZZMKBUZCEMNJ-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNCCO	2031845031	AEPWUWXCJWJORN-VIFPVBQESA-N	249.270	-0.061	50	10	BBGE	
CN(C)C[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2052466390	IERQLMSXZFCXHZ-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
CN(CCn1cccc1)c1ncncc1B(O)O	2052468727	HUVZKHUVWSXMKL-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
COc1nc(N2C[C@@H]3CCC[C@H]32)ncc1B(O)O	2052626321	CGJGLZMKIKCPLF-IONNQARKSA-N	249.079	-0.846	50	10	BBGE	
Cc1nc(N(C2CC2)C2COC2)ccc1B(O)O	2052627748	PZGBIOKHHFFWIU-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CCOc1cc(OC)c([N+](=O)[O-])c(B(O)O)c1	2060015438	AVCZFWLBHKITMP-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC[C@H]3C[C@@H]32)c1B(O)O	2071007684	BTGVVZPNQPSRQO-GUBZILKMSA-N	248.091	-0.110	50	10	BBGE	
CO[C@@H]1C[C@H]1CNC(=O)c1cccc(B(O)O)c1	2079007907	BJTAKJVASUZMEU-GXSJLCMTSA-N	249.075	-0.869	50	10	BBGE	
C[C@@H]1COC[C@H]1NC(=O)c1ccccc1B(O)O	2079008835	BVGUPKKGUFSAER-LDYMZIIASA-N	249.075	-0.869	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210692267	WOCXGNHLQKUCNJ-IWSPIJDZSA-N	233.287	-0.450	50	10	BBGE	
COC(C)(C)COCc1nscc1B(O)O	2211139056	CILAISGTKRGYIT-UHFFFAOYSA-N	245.109	-0.236	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C2	2212351852	WGZMPMYCFJXRHV-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
CC[C@](C)(CO)Nc1ncccc1B(O)O	2212600210	AWRBIGXIJFEBNU-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccnc(N2CCC=C(F)C2)c1	2212611712	CFYYOYJUTBAFCW-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
OB(O)c1ccnc(NC2(C(F)F)CC2)c1	2212614203	BIPMWTUHNXMHDR-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
Cc1ccn(C[C@H]2CC[C@H]2C(=O)NN)c(=O)n1	2215772626	PCRDAQHISHHBGS-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
CCN(C[C@@H]1CC[C@@H]1C(=O)NN)C1CN(C)C1	2215774340	WJTWXZFYEBZZPQ-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
N[C@H](CNc1cc(B(O)O)ccn1)C(F)(F)F	2217176978	CQTPIBYTEVHWQN-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC=C[C@H]2C3)nc1	2217182011	XYNIHCIEXKVDFC-ONGXEEELSA-N	230.076	-0.084	50	10	BBGE	
C[C@H]1CNC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217183707	KMDNWWZUMOAQDU-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CCN1CC[C@@H](Nc2ncccc2B(O)O)C1	2217200506	KZFIZOJRNGTTFU-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccc(OCCOCCF)cc1F	2217460461	ZCPWDFFUJRTDKH-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@@H]1Oc1ccc(B(O)O)cn1	2223664517	WJMOJTDXYWOJSV-GXSJLCMTSA-N	248.091	-0.590	50	10	BBGE	
CN(C[C@@H]1CCCNC1)c1ccc(B(O)O)cn1	2223670880	DSFFLVDAKYSCRR-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1ccc(=NCC[C@@H]2CCCCN2)[nH]c1	2223678134	XLMWCSSIFOPSFE-NSHDSACASA-N	249.123	-0.873	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]2CCC[C@H]2C1	2243362625	UITTVSAEKHCXQY-UWVGGRQHSA-N	221.065	-0.350	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243364843	DGCCQUIWJNHIFC-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383247	WIUJXBREPQNWLF-KNVOCYPGSA-N	225.053	-0.223	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(B(O)O)cs1	2243385626	LZDSFCWWTPUILR-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CC[C@H]1N	2243392581	VDZFXBLXZAHILO-GEPGNKONSA-N	226.085	-0.813	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243400990	KQJSDMNOSSCTJN-BDAKNGLRSA-N	223.081	-0.200	50	10	BBGE	
C[C@]1(F)CC[C@@H](NC(=O)C#CB(O)O)CC1	2243401870	YGNAYHBPTGLMFE-WAAGHKOSSA-N	227.044	-0.211	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC2CC1C2	2243409715	NLYYSCPIIOVXAG-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)sn1	2243415070	NTAHGDGRKVXDKK-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
CC(C)(O)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243420228	OVLNKMXBSCHXMY-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCCO1)[C@H]1C[C@@H](B(O)O)C1	2243427255	SJIRJXYWNOOACF-HRDYMLBCSA-N	227.069	-0.465	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2244001104	FRHMHBAKCOYKSD-HLTSFMKQSA-N	225.053	-0.737	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)co1	2244206251	UBUJHSBYHFOVQW-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1cccc(B(O)O)c1	2246773068	WOPJPQPPWJPPBX-MRVPVSSYSA-N	234.064	-0.008	50	10	BBGE	
O=C(C#CB(O)O)NC1CCC(C(F)F)CC1	2247740457	KXOAZFDHRXZZEG-UHFFFAOYSA-N	245.034	-0.058	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2247751293	VXSFDTSFSSLAAM-IUCAKERBSA-N	238.096	-0.702	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C2(B(O)O)CC2)CN1	2247754913	NQVSJVTZTIRQBA-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2247759191	YVDPAPJYUVMOKK-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2CC(B(O)O)C2)CN1	2247799320	BVHLBQOMHNPLRL-HACHORDNSA-N	240.112	-0.504	50	10	BBGE	
CC[C@H]1NCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247805990	LUOSHILDSISTOR-BMNUFHGDSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806506	FLPQNSFFMSFUBC-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1nc[nH]n1	2247809222	YHZZRFBOEAHWJH-VTSJMVTISA-N	238.056	-0.765	50	10	BBGE	
Cc1nc[nH]c1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247810554	YHSVQRBKNXDLPD-JGVFFNPUSA-N	237.068	-0.461	50	10	BBGE	
C=CCC1(NC(=O)C2(B(O)O)CCC2)CNC1	2247879156	RIYZCXGOOFTOQI-UHFFFAOYSA-N	238.096	-0.582	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C(=O)C2CC(B(O)O)C2)C1	2247891452	JBEFLCMEGDDKFT-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](F)[C@@H](CO)C1	2247895945	CNCXUQHYGDZECR-BGZDPUMWSA-N	245.059	-0.972	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H](B(O)O)C1	2247897789	WYPBXNHLQKZXQK-JDDHQFAOSA-N	239.080	-0.325	50	10	BBGE	
O=C(N[C@@]12CC[C@H]1CNC2)[C@H]1C[C@@H](B(O)O)C1	2247910635	QMCLWQTXRBAPKN-WYOJIJJFSA-N	238.096	-0.892	50	10	BBGE	
COCCCN(C)C(=O)c1cc(B(O)O)co1	2249416223	OLPYMGUYCQFPBB-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@H](C)O)C1CCC1	2250571431	XPPJEAFHXAQPKQ-QMMMGPOBSA-N	243.307	-0.611	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@H](C(=O)NN)C1	2251026454	SRUMPORRMBCTNT-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccc(CNC(=O)N(C)C)cc1B(O)O	2253232743	CIAATBSNNSCYPQ-UHFFFAOYSA-N	236.080	-0.554	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1ccncc1B(O)O	2255458420	QWWKDAKMEFAPIX-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(B(O)O)o1	2255467599	PNFTVCDOWCSAOW-VROVMSAKSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C(C)C	2255500668	LSASDLNUWFYCJG-SECBINFHSA-N	248.091	-0.500	50	10	BBGE	
C=C[C@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2255547742	OZGZOXZPSCLITI-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C(N[C@H]1CC12CCCC2)c1cc(B(O)O)n[nH]1	2255551305	VYXMSDIXDWMOAZ-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
C[C@@H](Cc1ccncc1)N(C)C(=O)C#CB(O)O	2255672217	CNSWWTKTCPUUTM-JTQLQIEISA-N	246.075	-0.514	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)c1ccccc1	2255770471	QHBUGIJMNJVMOF-DCAQKATOSA-N	248.091	-0.335	50	10	BBGE	
CN(CC1CCC1)C(=O)c1nccnc1B(O)O	2256069635	OSVGRTVECBMGPN-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@@H]12	2258121820	ULVQVYIKJUDIRA-WEDXCCLWSA-N	249.075	-0.313	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1cocc1B(O)O	2258130649	KEFZWUGZGNNJPL-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)cc(B(O)O)c2)CC1	2258947713	LSLCTJADKVAZQD-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3ccc(B(O)O)cn3)C[C@H]12	2297850418	REEQCYCSSFVHBK-IQJOONFLSA-N	232.092	-0.146	50	10	BBGE	
CC[C@H]1CNCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371784	VUWFHUNDFXSJIV-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1NCC2)[C@H]1C[C@H]1B(O)O	2298374625	FRBFTFPUEYPUQQ-YSSBGUOXSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2C[C@H]12)[C@H]1C[C@H](B(O)O)C1	2298376237	OAMPFCQIFNFHJD-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H]1CF	2301340535	FVHBZRMEIUSRBF-SNVBAGLBSA-N	234.039	-0.214	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C#N)N2CC[C@H]1C2	2303292644	RPLLUHVRZBQSAA-GUBZILKMSA-N	237.307	-0.963	50	10	BBGE	
CC[C@](C)(CN1CCOC[C@H]1CO)C(=O)NN	2303420094	OOGSCWAQKMXNCX-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)c2ccncc2C1=O	2328518668	IWLZGULFXIDKMV-ZCFIWIBFSA-N	248.242	-0.554	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H](C)CCC[C@@H]1CN	70156474	VSQMKAWIQWJTPK-PSASIEDQSA-N	242.323	-0.645	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](CC)C(=O)NN	82469856	NESZUIGWNDDMSQ-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
CC(C)n1c(N)nnc1SCC(=O)NN	82472626	QGDMTLSRWGJHMT-UHFFFAOYSA-N	230.297	-0.477	50	10	BBGE	
Cc1cc(=O)n(CCC(=O)NN)c(C)n1	82599445	JCNHYPPQJPUWGC-UHFFFAOYSA-N	210.237	-0.760	50	10	BBGE	
O=C1[C@@H](Br)CCN1C[C@@H](O)CO	85248954	UNPSIGZHVIWQRN-RITPCOANSA-N	238.081	-0.665	50	10	BBGE	
COCCN(CCC#N)[C@H](C(=O)NN)C(C)C	110580872	ZRQMKEVWSXQYSY-JTQLQIEISA-N	242.323	-0.137	50	10	BBGE	
C[C@H]1COCCN1[C@H](C)CCC(=O)NN	216471986	UKMAEJDSXXGQGB-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
N#C[C@@H]1CN(C[C@@H](O)CBr)CCO1	225641732	NYEALPHRDAUPQU-JGVFFNPUSA-N	249.108	-0.033	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CCC[C@H]2C1=O	229922636	WCMLFUJIWOYFHM-OCAPTIKFSA-N	239.275	-0.458	50	10	BBGE	
CNC(=O)CCN(C)CC(C)(C)C(=O)NN	234348627	BSAKONFFEILASH-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1ncnn1C	234577748	APTSKEMATFRNDX-ZCFIWIBFSA-N	232.671	-0.315	50	10	BBGE	
O[C@@H]1CN(c2nnc(CCl)o2)C[C@H]1O	236537010	FTPNCYNLMWXKEA-RFZPGFLSSA-N	219.628	-0.650	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](CC(=O)NN)C(=O)O	238190191	DUHFRFGVPJMBPN-YFKPBYRVSA-N	247.251	-0.656	50	10	BBGE	
O=C(O)c1ncc(B(O)O)cc1Br	238632721	FXRWMCUCPZRAJT-UHFFFAOYSA-N	245.825	-0.778	50	10	BBGE	
CN(C)NC(=O)C[C@H](N)C1CCOCC1	259035492	KBTFMPKJSRDPCF-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NNC(=O)C1CC1)C(=O)OC	276663188	HQQWPYJJYWBUOM-ZETCQYMHSA-N	228.248	-0.257	50	10	BBGE	
O=C(O)[C@H]1[C@@H]2C(=O)O[C@H]3O[C@H]1[C@H](Cl)[C@H]23	306295344	HVZSFHUHGUBNBY-DOCAPNOYSA-N	218.592	-0.178	50	10	BBGE	
C[S@](=O)N1CC[C@H]2C(=O)OC(=O)[C@H]2C1	306813954	ANOWSSJOKQBACM-YHEPKVMYSA-N	217.246	-0.699	50	10	BBGE	
COC(=O)/C(C#N)=C1/CCS(=O)(=O)C1	307647379	NNMHBXOUWFLMHR-SREVYHEPSA-N	215.230	-0.202	50	10	BBGE	
C[C@H](N)CC(=O)NNc1ncc(F)cn1	309365522	BBTIUQXFQYPCAM-YFKPBYRVSA-N	213.216	-0.204	50	10	BBGE	
Cc1nc(CNS(=O)(=O)CCCl)n[nH]1	392312999	HGYVPPNUMOLHPB-UHFFFAOYSA-N	238.700	-0.229	50	10	BBGE	
CC[C@H](C)[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396536976	XQDVXZZYBMEICM-KPXOXKRLSA-N	237.108	-0.227	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCOC1	401608359	IOUIKXSTJQEKHQ-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1[C@@H]2CCC[C@@H]12	405024504	ZEEPBFCGFKJUSI-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
C=CCNC(=O)Nc1cc(B(O)O)ccn1	405161233	GFINJCOAVOMBOV-UHFFFAOYSA-N	221.025	-0.931	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N([C@H](C)C(=O)NN)C1	687213968	XFTUAXDRKZFNFR-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]1(C)CCOC1	687519718	OVLHXURBQZUWFC-SCZZXKLOSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C(C)(C)CCO	691095142	MOCFGZBQJUNDNN-QMMMGPOBSA-N	233.312	-0.916	50	10	BBGE	
C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)Cl	697201735	UKGVVZWDAHLWDL-UHNVWZDZSA-N	217.660	-0.044	50	10	BBGE	
NNC(=O)CN1CC(OCC(F)(F)F)C1	707385472	SLGHZJPDFXJURG-UHFFFAOYSA-N	227.186	-0.761	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)Nc2ccc(B(O)O)cc2)C1	718527606	PVJJMZGNFKTJOK-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C2CCC1(CO)CC2	723023637	XNMMNEGVRHWDPG-YUCVTWSNSA-N	227.308	-0.256	50	10	BBGE	
COC1=C([C@H](O)C#N)[C@@H](OC)[N]S1	725611631	VMGAZTGVUKNLFR-INEUFUBQSA-N	201.227	-0.032	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)NC1CC1	730773743	WGGBEDOCXZIZIJ-UHFFFAOYSA-N	215.253	-0.096	50	10	BBGE	
C#CC(=O)NNC(=O)c1cccc(C)n1	794084526	FTOZIPUHKGSOFT-UHFFFAOYSA-N	203.201	-0.216	50	10	BBGE	
CC(CCCO)=NNC(=O)[C@H]1COCCO1	814860241	DUTPDIQXWKUHIK-SECBINFHSA-N	230.264	-0.334	50	10	BBGE	
CNC(=O)NNC(=O)CN1CC[C@@H](C)C1	847383217	DFTUWERGTIHALT-SSDOTTSWSA-N	214.269	-0.712	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CN(C)C(=O)N1	862500441	REXRTVKNJRKWTO-SECBINFHSA-N	249.274	-0.721	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCC(=O)N1	862503237	NSIGGRTXOSWQDV-SECBINFHSA-N	234.259	-0.466	50	10	BBGE	
CNC(=O)CC(=O)NN(C)c1ccccn1	862749453	XXNVGMJURKPSFU-UHFFFAOYSA-N	222.248	-0.315	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@H]1CCCO1	908381003	SLGCFBJSXSSEKG-IOEWOSKSSA-N	228.248	-0.750	50	10	BBGE	
Cc1ncc(CC(=O)NN(C)C[C@H](C)O)o1	910182074	HNIZCRRPIBVQQP-ZETCQYMHSA-N	227.264	-0.131	50	10	BBGE	
O=C(CCn1ccnc1)NNC(=O)c1cc[nH]n1	1166395759	NCUHIDXXODRUGL-UHFFFAOYSA-N	248.246	-0.543	50	10	BBGE	
CC(=O)NNC(=O)CCc1cnccn1	1290391573	GQXMKCNNNSRLHN-UHFFFAOYSA-N	208.221	-0.424	50	10	BBGE	
CN(NC(=O)c1ccns1)C(N)=O	1545887287	AIBUVSJBVOLLKL-UHFFFAOYSA-N	200.223	-0.202	50	10	BBGE	
CC(=O)N[C@H](C(=O)NN(C)C(N)=O)C(C)(C)C	1545887949	UKYQKLBOJZWDHX-SSDOTTSWSA-N	244.295	-0.421	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)cc(C)c1C#N	1558957958	DIBUDSNIXRSEFH-UHFFFAOYSA-N	247.254	-0.072	50	10	BBGE	
Cc1sc(C(=O)NN(C)C(N)=O)nc1O	1623316244	NBRCMCSDNWHFFU-UHFFFAOYSA-N	230.249	-0.188	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/c1cn(C)cn1	1630972214	JMBAXXQOYCCLKV-ONEGZZNKSA-N	223.236	-0.607	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)c1ncccn1	1638291293	YAPRQRRZWLFSDS-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
CC(C)(O)C(=O)NCCSS(C)(=O)=O	1643370479	YOCRPUCHLCJKBE-UHFFFAOYSA-N	241.334	-0.434	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@H]1N	1877519641	GVFARTNCKHSSSD-ULAWRXDQSA-N	218.684	-0.202	50	10	BBGE	
N[C@H](CBr)[C@H]1CNCCOC1	1880234818	UUTSRKIWRLKKFN-NKWVEPMBSA-N	223.114	-0.055	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC(CO)CO	1882210630	UFZNNILCGKATDC-LURJTMIESA-N	209.673	-0.422	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)C[C@@H]1CN	1882311861	OBUCDNSFZMDYQP-BWZBUEFSSA-N	203.673	-0.489	50	10	BBGE	
OC[C@@H]1CNCCN1C[C@@H]1C[C@@H]1Cl	1883566184	HQDPHOQSTAHZAK-CIUDSAMLSA-N	204.701	-0.120	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NCB(O)O	1884890836	YQLJSEZRTNFKEJ-MHTLYPKNSA-N	206.985	-0.594	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H](O)[C@@H](O)C1	1887704822	RDNSRVNKHWBQNL-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
C#CC[C@@H](C(=O)NNC(N)=S)C1CC1	1892895804	QCPOUVDFMIRTJR-SSDOTTSWSA-N	211.290	-0.100	50	10	BBGE	
NNc1ncnc(=NC[C@H]2C[C@H]2Cl)[nH]1	1893109055	WUCKOWICWXECSS-RFZPGFLSSA-N	214.660	-0.382	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1893468892	CQPPUGIKRJPQPC-PHDIDXHHSA-N	238.696	-0.887	50	10	BBGE	
O=C(N[C@H]1CNC[C@H]1O)C1CC(Cl)C1	1893481577	ILSXUJGIKNFEFI-RLXKETGRSA-N	218.684	-0.547	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)OC(C)(C)C1=O	1898711841	UPFUQTAUERNRRL-YFKPBYRVSA-N	229.236	-0.488	50	10	BBGE	
O=C1NCC[C@@H]1CNC(=O)[C@H]1C[C@H]1Cl	1899577483	KMINAGDOJYPXKT-DSYKOEDSSA-N	216.668	-0.134	50	10	BBGE	
CC1CN(c2ccc(C=O)c(B(O)O)c2)C1	1901249747	YVHXHVCULQNHSJ-UHFFFAOYSA-N	219.049	-0.365	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1cc(N)c[nH]1	1901344333	PBUYGZIWWPCMRN-UHFFFAOYSA-N	246.292	-0.477	50	10	BBGE	
CN(NC(=O)c1cc(N)ccn1)S(C)(=O)=O	1901349134	UUSPUNZVHMFUAV-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@H](O)C1	1901761610	FFSLFONMOZNRDI-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)n1c(=O)oc2cccnc21	1905542231	DRTGBGQLGAYHGG-ZCFIWIBFSA-N	236.231	-0.070	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12COC[C@H]1C2(F)F	1906060144	ZZZGBEDHZFOICN-APPZFPTMSA-N	249.261	-0.420	50	10	BBGE	
CC[C@H]1CCN(CCC(=O)NN)CCO1	1913634082	IYYRUZIRVNZJRW-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CON1CCN([C@H](C(=O)NN)C(C)(C)C)CC1	1915712760	GXIVAJGKXXPVDK-SECBINFHSA-N	244.339	-0.430	50	10	BBGE	
NNC(=O)c1nc(CN2CC(F)C2)ns1	1917255765	WPUOTQPALYKCAE-UHFFFAOYSA-N	231.256	-0.705	50	10	BBGE	
CC(C)(CN1CC(F)(F)C1)C(=O)NN	1917282774	YZOWUUNEECGCHK-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)C1[C@H]2CNC[C@H]12	1923401951	NFVHHZKWHXLTRX-IMJSIDKUSA-N	237.181	-0.839	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H]1[C@@H](O)CO	1928570538	WSPMWCNNAWOCDD-YIZRAAEISA-N	234.683	-0.829	50	10	BBGE	
O=C(OCCl)N1CCOC[C@@H]1[C@H](O)CO	1928573531	KNSMVFFVLBDVJK-RNFRBKRXSA-N	239.655	-0.627	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12	1929838308	LWSWLFTTZLBHFU-ABXGFROZSA-N	212.249	-0.977	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC2)CO1	1930147636	IXIOLQHMLAGMHT-JGVFFNPUSA-N	211.265	-0.360	50	10	BBGE	
CC(C)C[C@H]1CC(=O)N(CC(=O)NN)C1=O	1935900926	OEBNWWWMFATYHN-ZETCQYMHSA-N	227.264	-0.603	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1CO	1935929275	NWSTUMMDLGHIDD-RNFRBKRXSA-N	237.250	-0.828	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](CCO)C1	1935931655	MJSGGIDGABNRBB-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@@]1(CO)C2	1936765877	LWHARGANSSCTHW-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](N(C)CCOCC(=O)NN)C(F)(F)F	1938537554	PYEPGANNQXLGBS-LURJTMIESA-N	243.229	-0.125	50	10	BBGE	
CCCN(CCOC)C[C@H]1C[C@H]1C(=O)NN	1939256043	MNZULHCJRAPEDU-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CC(C)CN(CCO)[C@H](C(=O)NN)C(C)C	1939257298	HMYITPYVUOJMGO-JTQLQIEISA-N	231.340	-0.049	50	10	BBGE	
CC[C@@H]1COCCN(C[C@@H](C)C(=O)NN)C1	1939306571	GSNREPALCXMDJN-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1939968335	YZVPFYIQYDIAEJ-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@H](CO)[C@H]2C1	1944546999	FWIXOAQKCSBCDS-HHKYUTTNSA-N	239.319	-0.827	50	10	BBGE	
O[C@H]1C=CCN(C[C@@H](O)CBr)C1	1953618144	OJYJFHMBHPSMRE-YUMQZZPRSA-N	236.109	-0.025	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@@H]2COC[C@@H]21	1955240622	OWHMNYPLXBFHRP-KZVJFYERSA-N	216.668	-0.191	50	10	BBGE	
CC(C)COC1CN(CC(=O)NN)C1	1955280502	VSPYELAFNOSKHL-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
C=C(CCl)CN(CC(N)=O)CC(N)=O	1956256744	SVZQYIXLJDKPPN-UHFFFAOYSA-N	219.672	-0.946	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C[C@H](O)CC	1959510522	DLRWMRHBNWCYJV-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
Cc1cc(-n2ccnc2)ncc1B(O)O	1961722294	GMXGUPFSYFPSSA-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
NNC(=O)CN1C[C@@H](C(F)(F)F)CC1=O	1962282968	CPPILHKYAYQIEB-BYPYZUCNSA-N	225.170	-0.613	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962372529	GGOPBPJTKJKUGF-DGQUNOOESA-N	233.695	-0.044	50	10	BBGE	
C#C[C@H](CCl)NC(=O)C1(S(C)(=O)=O)CC1	1974778271	SNURUPGQKLMKPY-SSDOTTSWSA-N	249.719	-0.080	50	10	BBGE	
CSC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1975703238	SLBVMKJJRYUODY-QMMMGPOBSA-N	243.332	-0.446	50	10	BBGE	
CCN(CCCCO)[C@@H](COC)C(=O)NN	1976236944	IXAGTQCHAULHBR-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1976630227	XCMQROFBTRVQFO-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@]2(COC)C1	1978982670	RGZBJJDBDBVRMI-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1979917906	BCRRQDAANNRYTL-WSSOQDAQSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2SC(=O)C=C2C1	1981029457	YXZPNRPRYRXQBL-HTRCEHHLSA-N	241.316	-0.361	50	10	BBGE	
CSC[C@H](C)N(C)c1ccc(B(O)O)cn1	1981414336	QKVUBKPUYLXRDF-QMMMGPOBSA-N	240.137	-0.051	50	10	BBGE	
Cc1ncnc(OCC2CCC2)c1B(O)O	1981420624	NQLIUBMFSJDKHG-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
Cc1cnn(-c2ncc(B(O)O)cc2F)c1	1981455225	XGGVFGWFEAHKRV-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@H]1F	1982809717	VONOOZGXTMECOP-NKWVEPMBSA-N	224.000	-0.942	50	10	BBGE	
COC1CC2(CCN(CC(=O)NN)CC2)C1	1986261133	AXJILHOBVPOLGZ-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CN1C[C@@H](N(C)C(=O)NC(=O)CCl)CC1=O	1987941220	PRZQVEGHTGMDRV-LURJTMIESA-N	247.682	-0.376	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12CCOC[C@H]1C2	1990376910	CTEHSIDDXZAWGJ-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
O=C(O)CNC(=O)CNC(=O)C1CC(Cl)C1	1991693419	KHCQYTKKAYQHQM-UHFFFAOYSA-N	248.666	-0.679	50	10	BBGE	
O=C(O)CN1CC(CNC(=O)[C@@H]2C[C@@H]2Cl)C1	1991695125	XMEVBDCZAMWMSG-SFYZADRCSA-N	246.694	-0.254	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)[C@H]2COC[C@H]12	1991706886	VEMTZXZVUNLYBO-GMCWOFSTSA-N	244.678	-0.508	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1ncc(B(O)O)s1	1994977951	GDFBVALXNPPBEL-NVNXEXLPSA-N	244.056	-0.491	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)NCC1(C)C	1996603356	RVTUIMGMTYZHHD-MRVPVSSYSA-N	242.323	-0.774	50	10	BBGE	
CCCCNC(=O)Nc1ccc(B(O)O)cn1	1996647111	HYEJSDAQGSBPNH-UHFFFAOYSA-N	237.068	-0.317	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1997867726	HNDFXLIKNQEFMV-RCWTZXSCSA-N	238.335	-0.752	50	10	BBGE	
COc1ccc(OC[C@@H]2CCO2)c(B(O)O)c1	1998271740	YMRGULRIVSIQBP-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
CN(CCCC(=O)NN)CCCn1cccn1	2003823822	BQMPLLCKHYNGCI-UHFFFAOYSA-N	239.323	-0.025	50	10	BBGE	
CCCN(C[C@H](C)C(=O)NN)[C@H]1CCNC1=O	2004315182	XBCAPXTUYMTVHM-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CC1CC1)N(C)c1ncc(B(O)O)cn1	2004911185	DKVPKUODFWPPDE-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN(C)C1COC1	2005234772	KLDROIHVAXXCKI-SECBINFHSA-N	244.339	-0.983	50	10	BBGE	
COc1cc(F)c(F)cc1NC(=O)C(=O)NN	2007617562	FVPRMFQILQZZMD-UHFFFAOYSA-N	245.185	-0.098	50	10	BBGE	
COC[C@H]1CN([C@@H](C)C(=O)NN)CC(C)(C)O1	2008482803	VJFDPKNQGBPJKS-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
CN(CCO)C[C@]1(F)CC[C@H](C(=O)NN)CC1	2008945855	NMKCQNNQCUMUEC-HOMQSWHASA-N	247.314	-0.201	50	10	BBGE	
Cc1ncncc1CN(C)C[C@H](C)C(=O)NN	2009050704	QJQPUYWMTBFVQA-QMMMGPOBSA-N	237.307	-0.157	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]3CC[C@H](C2)O3)n1	2010676940	GIVMOOPBFZOWRQ-ILWJIGKKSA-N	236.080	-0.480	50	10	BBGE	
Cc1cc(CN(C)CCCC(=O)NN)nn1C	2011840334	NALFRJJSWNJEDE-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
CN(C)[C@H]1C[C@@H](Oc2ccncc2B(O)O)C1	2012112509	GZUSHNVBFMCYGN-DTORHVGOSA-N	236.080	-0.767	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1OCC[C@@H]1C	2019208262	FTGQMVJIYDKALP-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCCN(CC1)C2	2020056260	JFKGPDOQNSBHRD-NSHDSACASA-N	238.096	-0.843	50	10	BBGE	
CO[C@@H]1[C@H](N2CC(=O)OC(=O)C2)COC1(C)C	2022069278	HUKLNTDCBXUZKV-GMSGAONNSA-N	243.259	-0.436	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]1C1CC1	2022352015	OCEDMAAXQFLKCR-GXSJLCMTSA-N	233.076	-0.426	50	10	BBGE	
CN(C)NC(=O)N1CC2(CC[C@H](C(=O)O)O2)C1	2025156643	PXTQBKNPPBKNHO-SSDOTTSWSA-N	243.263	-0.509	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1ccc(B(O)O)cn1	2025657583	BDQKFKCCOHNLIL-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC3CC2C3)c1	2034313705	PVXUDVNSSBFIQO-UHFFFAOYSA-N	247.103	-0.031	50	10	BBGE	
Cc1ncnc(N(C)C[C@]2(C)C[C@@H]2C)c1B(O)O	2052557859	VJWISNUTAPJHRL-UFBFGSQYSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CCC[C@@H]32)c1B(O)O	2052559335	ISAMPNLVHHOQTQ-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
CCOc1cnn(-c2ncnc(C)c2B(O)O)c1	2052597113	NTRKMOAPXIKWKS-UHFFFAOYSA-N	248.051	-0.951	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2068330386	CSYLLZICZXASDI-FGGBMERFSA-N	248.066	-0.255	50	10	BBGE	
Cc1nc(N2C[C@@H]3CC[C@@]3(C)C2)ncc1B(O)O	2087040417	HJEAHHUTBCHXPJ-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
CON(C)CCNS(=O)(=O)CCCl	2209147925	UQTRDGXTGQGVHY-UHFFFAOYSA-N	230.717	-0.362	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1cscc1B(O)O	2211140896	QIBUBWVUSZXAHX-OIBJUYFYSA-N	242.105	-0.021	50	10	BBGE	
CCOC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211827398	GRHFIYJQTAYOEK-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
O=C1CN(C[C@@H](F)[C@@H]2CCOC2)CC(=O)O1	2212187621	SJCALKJEZLWFAV-HTQZYQBOSA-N	231.223	-0.254	50	10	BBGE	
CON(CC(C)C)c1cc(B(O)O)ccn1	2212615718	TWIUXLJYJOKILN-UHFFFAOYSA-N	224.069	-0.215	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)c1ccc(=O)n(C)c1	2213169680	XSBCDWQFHWABIH-QMMMGPOBSA-N	238.291	-0.410	50	10	BBGE	
C[C@@H](CCN)N(C)Cc1cccc(B(O)O)c1	2214593791	XSVWAVARAAUIEF-JTQLQIEISA-N	236.124	-0.465	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)N(C)C[C@H]1C	2216199695	PGRWINJCIJYTBT-IVZWLZJFSA-N	244.339	-0.984	50	10	BBGE	
CN(c1ncncc1B(O)O)C1C[C@H]2C[C@@H]2C1	2216637876	QCXYXSYXSVYSNS-HTQZYQBOSA-N	233.080	-0.609	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)[C@@H](F)C2)CCCC1	2216881597	MDWNRDHCOHUHOQ-IUCAKERBSA-N	245.298	-0.449	50	10	BBGE	
Cc1cnc(OC[C@H](C)[C@@H](C)N)cc1B(O)O	2217183897	OZCCAVONVYMOAA-DTWKUNHWSA-N	238.096	-0.568	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3OCCC[C@@H]32)nc1	2217185311	VIMUCCJYJRNXLC-IEBDPFPHSA-N	234.064	-0.649	50	10	BBGE	
CN[C@@H](C)CCOc1nccc(B(O)O)c1F	2217188857	UXDASPSEDBQBRE-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNc1ccc(B(O)O)cn1	2217201648	FDARSVAJVHIWJM-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H](CC1CNC1)Nc1ccc(B(O)O)cn1	2217203145	QHPYSOALPONJIL-QMMMGPOBSA-N	235.096	-0.829	50	10	BBGE	
N#CC1CCN(c2nccc(B(O)O)c2F)CC1	2223644446	JEGWNYRDGDGAOL-UHFFFAOYSA-N	249.054	-0.360	50	10	BBGE	
Cc1cnc(N[C@@H]2CN(C)C[C@@H]2C)cc1B(O)O	2223646487	LGOKPDVZGKIKMV-GXSJLCMTSA-N	249.123	-0.568	50	10	BBGE	
Cc1cnc(N[C@]23CC[C@H]2CNC3)cc1B(O)O	2223649653	BLNCKVYFBPFLAK-CABZTGNLSA-N	247.107	-0.766	50	10	BBGE	
Cc1cnc(Oc2cn(C)nc2C)cc1B(O)O	2223651899	ZPEWGIZVQDNYMW-UHFFFAOYSA-N	247.063	-0.096	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3COC[C@@H](C3)C2)c1	2223669269	HYGMAXSCBOTSPD-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
O=c1ncc(B(O)O)cn1Cc1ccccc1F	2224029139	AYMCVFBTCBZLMI-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1nn[nH]n1	2241668927	GCYFSZWILWOZBK-JPYJGEKTSA-N	201.617	-0.301	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@@H]1CCCO1	2242834906	XATYDSKORBTLLA-SNVBAGLBSA-N	223.037	-0.415	50	10	BBGE	
C[C@]1(C#N)CCCN(C(=O)C#CB(O)O)C1	2243356898	OJQSOWPAQJJWDA-SNVBAGLBSA-N	220.037	-0.846	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2CC1C2	2243361975	KAJBVWCKLRHVNF-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
C#CC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381628	HIVLLZOHHSUOCR-XWJSGITJSA-N	221.065	-0.233	50	10	BBGE	
O=C(NCc1cnoc1)C1CC(B(O)O)C1	2243395687	ATIQDGAHPSKYSF-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)[S@](C)=O	2243403907	FYHFPRNZWNYJJV-ITOYFRGTSA-N	247.125	-0.877	50	10	BBGE	
C[C@@]1(CO)C=CCN1C(=O)C1(B(O)O)CC1	2243409743	NVSWJPMOLMDOBM-VIFPVBQESA-N	225.053	-0.857	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@H](C1)O2)C1(B(O)O)CC1	2243411213	QCVDZJLSCAEWLS-OCAPTIKFSA-N	225.053	-0.617	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC=CCC1	2243413068	YUJVDWUZHFUBTR-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
O=C(NCc1cc[nH]c1)[C@H]1C[C@@H](B(O)O)C1	2243426633	JJGSLAHGECZXNB-DTORHVGOSA-N	222.053	-0.116	50	10	BBGE	
Cc1ccc(O)c(NC(=O)C#CB(O)O)c1	2243753344	SWSNWHBWTXIJPT-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
O=C(O)CCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243753375	UEIVWHRLSJLNIG-BQBZGAKWSA-N	229.041	-0.780	50	10	BBGE	
O=C(O)[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2243759119	RLNPTHINVZKLNP-ZCFIWIBFSA-N	227.025	-0.931	50	10	BBGE	
O=C(C#CB(O)O)NCc1cc(C(F)F)no1	2247743001	XLSGAYNWDHUANC-UHFFFAOYSA-N	243.962	-0.756	50	10	BBGE	
O=C1[C@H]2[C@H](CN1C(=O)C1(B(O)O)CC1)C2(F)F	2247756445	MDHRNMBQFFLPJP-CRCLSJGQSA-N	244.990	-0.757	50	10	BBGE	
O=C(NC1CC(CF)C1)c1occc1B(O)O	2247757687	RWWLGLQXWMNFJY-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)n[nH]1)C(C)C	2247784467	VNWDKVUWZHSOBH-UHFFFAOYSA-N	237.068	-0.874	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1c[nH]nc1B(O)O	2247786121	WEEZTUIVVCVEHF-SNVBAGLBSA-N	237.068	-0.992	50	10	BBGE	
CCc1conc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247792956	VSSULVWAEROMGL-SFYZADRCSA-N	238.052	-0.284	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)co1	2247798784	XFJFFXGSYWNQCG-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247798965	YQYUTUHMPWMENL-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](CNC(=O)C1CC(B(O)O)C1)N(C)C	2247808435	VBINPZMAUSNSDP-UDNWOFFPSA-N	242.128	-0.304	50	10	BBGE	
CC(C)(C)[C@H]1[C@H](O)CCN1C(=O)C#CB(O)O	2247849639	CNTXFDPMXLXARP-PSASIEDQSA-N	239.080	-0.990	50	10	BBGE	
CN(c1cnn(C)c1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247852691	YGDDGLQGHSSVPT-OCAPTIKFSA-N	237.068	-0.364	50	10	BBGE	
O=C(Nc1ccccc1)c1cc(B(O)O)n[nH]1	2247853757	QVGZHUXTILUOHU-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CON(C(=O)C1(B(O)O)CCC1)[C@H]1CCNC1	2247854084	XCDKPARCSLTBIU-QMMMGPOBSA-N	242.084	-0.865	50	10	BBGE	
O=C(NCc1cncnc1)C1(B(O)O)CCC1	2247856503	KXKDWFLEIKVFFG-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247896458	HFNHBVAJMJEDEO-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CCN[C@H]2C1	2247896814	KNXBNZQZSKCHBW-XKNYDFJKSA-N	238.096	-0.940	50	10	BBGE	
O=C(NCCc1ccccn1)[C@H]1C[C@@H]1B(O)O	2247896821	KUVAGYLQLLEMAN-UWVGGRQHSA-N	234.064	-0.397	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1CN	2247898221	BJIAPBASIRAKJI-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247900285	VOTBGDHDGBYKKN-IUCAKERBSA-N	235.052	-0.702	50	10	BBGE	
CC(C)(CCC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248574700	UPMJJDIEQOYPFG-BQBZGAKWSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248590123	ZIJIOLQASXMQNG-CSMHCCOUSA-N	241.052	-0.685	50	10	BBGE	
Cc1nc(O[C@@H]2C=CCCC2)ncc1B(O)O	2249273733	DRUAWKQLZADOIA-SECBINFHSA-N	234.064	-0.048	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2C=CCC2)n1	2249278704	PIGHIAPSJDXSMI-VIFPVBQESA-N	234.064	-0.129	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CCC(B(O)O)CC1	2249344095	WGALWZHJFCINEK-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249576166	OCTUNLHMRKIBMZ-UXCLJVHYSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Oc1ccc(B(O)O)cn1	2251041497	CVHHDJOETFHTKE-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
COC(=O)NCc1ccc(OC)c(B(O)O)c1	2253234464	COPRWXOXGCHGDO-UHFFFAOYSA-N	239.036	-0.769	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1ccc(B(O)O)o1	2255460531	VGGDXWPBRLJUAQ-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
CC#CCN(C)C(=O)c1cccc(B(O)O)c1C	2255509913	PXYBVJFNHIXCGT-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CC1(C)CCN(C(=O)c2ncncc2B(O)O)C1	2255521065	RKDWXXDGNZLVSZ-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
Cc1ncnc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1C	2255569188	UJWBRFMGJPKUND-DTWKUNHWSA-N	249.079	-0.427	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13	2255670504	YTPWISHFRYKJCG-QSFUFRPTSA-N	249.075	-0.924	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCC[C@H]1C2	2255716970	GTRLXJQUECUAOT-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	2255744100	ZYIMOOYYUAHWBB-KHQFGBGNSA-N	249.075	-0.170	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cc(C)c(B(O)O)o1	2255747045	DLMXECJDHFRFCE-VIFPVBQESA-N	247.059	-0.494	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1cocc1B(O)O	2258125846	AXDXNVSXHRJNGP-CBAPKCEASA-N	249.075	-0.170	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@H]2C1	2258136833	OMLWHEBZSAUGTD-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CNCC1(C)C	2261238189	ZGSGKTIASWPELH-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@@H]2CCCO[C@@H]21	2297044700	UFRCRGFVBUBVHL-FXQIFTODSA-N	200.238	-0.976	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1	2298370374	XKMSUDJRWKWVFB-DJLDLDEBSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1CO)[C@@H]1C[C@H]1B(O)O	2298375046	WCSCOIWGWRFSEF-ZYUZMQFOSA-N	241.096	-0.626	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCCOC2)[C@@H]1C[C@H]1B(O)O	2298376154	KQPVRURCOQVETE-TURQNECASA-N	239.080	-0.465	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)C2(CC2)C1	2298376236	NYMGIHRMGXFBMT-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1CCOCC(=O)NN	2299330263	AWMYXLGZCQMZBR-VHSXEESVSA-N	243.307	-0.996	50	10	BBGE	
CN1CC(N(C)CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300380858	PRBPTFZYZVPMMU-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1cncnc1OCc1ccncc1	2301815571	OXGVUPPZYSDEBD-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
CO[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303835544	YLOQPZNSGLRAMT-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303861174	NENPLLGKLMHJOU-HZGVNTEJSA-N	241.027	-0.686	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C(C)C	2304249410	MMKUFRUJZHBQMO-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@H](F)C1	2307404232	SOZJXCSUIRDAMI-FKQCQYRASA-N	238.027	-0.552	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@@H]1N	2317168783	YRAFTSFJBDVRER-CMPLNLGQSA-N	245.091	-0.470	50	10	BBGE	
O=C1O[C@H](CBr)[C@@H](O)[C@@H]1O	38235796	MYRODPRKOYUJTI-JJYYJPOSSA-N	211.011	-0.972	50	10	BBGE	
Cc1nccc2[nH]c(=O)c(C(=O)NN)cc12	39428339	UQUSMSLLLGRRFW-UHFFFAOYSA-N	218.216	-0.165	50	10	BBGE	
CCOc1cccn(CC(=O)NN)c1=O	71501810	BPJWURQXCRIONJ-UHFFFAOYSA-N	211.221	-0.763	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC(=O)N(C)C	82467363	QZWVRVAQNYVYQB-SECBINFHSA-N	230.312	-0.979	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCC2=O)O1	82468370	ZDLBXYRKVXDPDM-HTQZYQBOSA-N	227.264	-0.854	50	10	BBGE	
Cc1cc(Cn2cccnc2=O)oc1C(=O)NN	110578905	PROYBGCHPBJXOA-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CC(C)(C)C(=O)NN)C1	166155915	VZGJHPWXQJCJQT-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
N[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1B(O)O	199576125	MDMCBELABOQWEC-OPRDCNLKSA-N	240.112	-0.493	50	10	BBGE	
Nc1ccc(B(O)O)cc1C(F)(F)F	204762990	TUWQKNUKCZSXSJ-UHFFFAOYSA-N	204.944	-0.033	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)[C@@H]1CO	227214923	AZMGTTXEIZJFJM-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
Cn1cc(CCOc2ccccc2B(O)O)cn1	230766856	ZMAHWTGBABWWLV-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCO[C@@H](C)C1	232419527	XQSNDYMLJGNPKN-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1c[nH]c(=O)[nH]c1=O	238423324	ZWCBSUJWSQPZEG-GSVOUGTGSA-N	217.612	-0.371	50	10	BBGE	
O=C(NCCCCl)NCCOCCO	243264845	KVEMJCSXQSBZOR-UHFFFAOYSA-N	224.688	-0.077	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)[C@H]2CCO[C@H]2C1(C)C	253246504	RXNGQEVZBUKOGK-VAOFZXAKSA-N	227.308	-0.278	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1cccnc1	259212131	ZWEZQUUGTGFGEX-VIFPVBQESA-N	208.265	-0.456	50	10	BBGE	
CN(C)NC(=O)c1cc([N+](=O)[O-])ncc1NN	300793569	VBSMJHPATCYRDG-UHFFFAOYSA-N	240.223	-0.518	50	10	BBGE	
N/C=N/S(=O)(=O)CI	306502386	OMOGGARGTIXUCA-UHFFFAOYSA-N	248.045	-0.304	50	10	BBGE	
CC(C)[S@](=O)c1ccc(B(O)O)cc1	307019310	YBWHHQBCMSXADN-AWEZNQCLSA-N	212.079	-0.118	50	10	BBGE	
OB(O)c1csc2cc(O)c(O)cc12	307426339	FVRRDAKJZPXSLI-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COC[C@@H]1CCCCN1[C@H](COC)C(=O)NN	307763173	HSGFOFBGDIFKIB-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](N(C)C)[C@H]1C	381962750	HQPMGAAFONPWJD-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCc1nc(=O)o[nH]1	392191330	YLKVIEJAYBSLHN-SCSAIBSYSA-N	219.628	-0.351	50	10	BBGE	
C=CC[C@H](CO)NCc1ccccc1B(O)O	585038919	KOLVZWRMVNATNK-LLVKDONJSA-N	235.092	-0.607	50	10	BBGE	
Cc1cccnc1CCn1ccc(B(O)O)n1	694231052	XJZBWAJPQRXEJH-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@@H](O)C1	695086631	IZASJMMRACLREP-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(n2cccn2)C1	707400806	WSLLQLRUGLQBPH-BDAKNGLRSA-N	237.307	-0.246	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCCN1S(C)(=O)=O	707533748	AYWPIRWBDNTWIK-SSDOTTSWSA-N	235.309	-0.867	50	10	BBGE	
C[C@H]1CN(C)CCN(C[C@H](C)C(=O)NN)C1	708291315	QNXOOVXRQMVCRW-UWVGGRQHSA-N	228.340	-0.504	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1CCc2c(B(O)O)cccc21	712263790	WSEBKDKYMANLDS-WPRPVWTQSA-N	245.087	-0.089	50	10	BBGE	
NNC(=O)NC1CCC(C(N)=O)CC1	716684526	OJTJNDRRVMNPNF-UHFFFAOYSA-N	200.242	-0.797	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@@H](C)Br	718209930	KSFYEUJYNFHBCD-PHDIDXHHSA-N	220.066	-0.120	50	10	BBGE	
C[C@H]1[N]SC(SCC(=O)NN)=N1	725548255	JUMNBCMDOROTJB-GSVOUGTGSA-N	205.288	-0.322	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CNS(=O)(=O)CCl	725706269	TXGBURJMLSFNJI-NKWVEPMBSA-N	243.712	-0.094	50	10	BBGE	
C[C@H]1CC(=NNC(=O)[C@@H]2COCCO2)CO1	842528104	PHBDYPFOYLIBKG-CBAPKCEASA-N	228.248	-0.317	50	10	BBGE	
C#C[C@@H](CO)NC(=O)/C(C#N)=C/OCC	854772056	OPSMZWNPPNJJNR-FLOXNTQESA-N	208.217	-0.459	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C2CC(=O)C2)O1	862890194	NLUDHMRYOPAKFP-HZGVNTEJSA-N	240.259	-0.320	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)c1cnsn1	899370368	ATGYSPBHYPSUKS-UHFFFAOYSA-N	236.203	-0.046	50	10	BBGE	
CCONC(=O)NNC(=O)[C@@H]1CCCCO1	1234543465	OOPIFADTSYHICX-ZETCQYMHSA-N	231.252	-0.163	50	10	BBGE	
CC(=O)NNC(=O)Cc1cn(C)nc1C	1290391420	DJTKZTNWAATWNY-UHFFFAOYSA-N	210.237	-0.562	50	10	BBGE	
CN(NC(=O)CC1(C#N)CCOCC1)C(N)=O	1331317746	JRENQFRBHUZQCD-UHFFFAOYSA-N	240.263	-0.261	50	10	BBGE	
Cn1cc(C(=O)C(=O)NNc2cccnn2)cn1	1597260244	CTQSCDQMAYAVLT-UHFFFAOYSA-N	246.230	-0.464	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1cccnn1	1651057847	PYMPSGMNUBZSBY-HWKANZROSA-N	236.231	-0.560	50	10	BBGE	
CNNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C	1880022655	GJOYJAUIVBYXEG-RNFRBKRXSA-N	247.295	-0.489	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1nc[nH]n1	1885227050	NTFCRZXTAOGVFV-YFKPBYRVSA-N	234.668	-0.676	50	10	BBGE	
C[C@@H](CCCl)C(=O)NCC(CO)CO	1885930719	QIPTUJPUDDXLSK-ZETCQYMHSA-N	223.700	-0.032	50	10	BBGE	
CO[C@]1(CN(C)C(=O)NN)CCOC1	1886727754	HEIFEQVQMOWUIM-QMMMGPOBSA-N	203.242	-0.693	50	10	BBGE	
CC(C)[S@@](=O)N1CC[C@](C)(B(O)O)C1	1891518103	XDPPEZVKMVGMPW-RMLUDKJBSA-N	219.115	-0.003	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@@H]2CCCO[C@@H]21	1893924306	IXRIHYARTIBZSY-XKSSXDPKSA-N	213.281	-0.667	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	1894145407	GYJQNCMXDKBWCT-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)[C@H](CO)C2)CC1	1895510030	FFZQHGBFCCJGCD-JGVFFNPUSA-N	231.271	-0.981	50	10	BBGE	
CN(C[C@@H]1CCN1C)C[C@@H]1C[C@H]1C(=O)NN	1896236643	GVGLOFAGSIHLIP-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
Cc1cnc2n1CCN(CC(=O)NN)CC2	1900276151	JRIXUSGDFALFGF-UHFFFAOYSA-N	223.280	-0.960	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cnsc1B(O)O	1900467429	RXPYKMVSNQFXAL-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
N#CC1(F)CN(C(=O)C2CC(B(O)O)C2)C1	1901275308	GJZAQKVUJPROJQ-UHFFFAOYSA-N	226.016	-0.687	50	10	BBGE	
CN(NC(=O)CCCC1CNC1)S(C)(=O)=O	1901377008	IXGUZSSZZDCMEI-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CCCNC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	1902505912	MVVFNJZTUGPTOG-BDAKNGLRSA-N	228.101	-0.550	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CC[C@@H]1C1CC1	1902507758	GEDJDKDCTJTASC-RKDXNWHRSA-N	225.292	-0.081	50	10	BBGE	
COC[C@@H](OC1CC2(CSC2)C1)C(=O)NN	1905323226	NXBVVYWWGUTDPC-MRVPVSSYSA-N	246.332	-0.097	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1909983405	LZGWFWWTDBTNIH-NGZCFLSTSA-N	241.291	-0.880	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)C23CCC3)CC1	1914398616	MJQMISSXMSSSBE-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC1(CO)CC1	1915532519	GASHYNRFDLGYLX-IUCAKERBSA-N	227.308	-0.683	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(CC(=O)NN)C[C@@H]21	1927768554	MCZRZKRMOADARQ-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1928309080	YAYIXBUTZNWVFC-WEDXCCLWSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CSC2)C1	1928606299	RLHPZSUFPHTXDF-ZETCQYMHSA-N	215.322	-0.196	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1COC[C@H]1CCl	1928745384	ZZTOJJZFOSNJHG-PHDIDXHHSA-N	217.660	-0.702	50	10	BBGE	
Cc1nc([C@H]2C(=O)NC(=O)[C@H]2Cl)nn1C	1929102176	OVNJVJJSQGTEJP-WHFBIAKZSA-N	228.639	-0.529	50	10	BBGE	
O=C(CCl)NCCC[C@@H]1NC(=O)NC1=O	1930629286	GFFDMLRYGZSRAK-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
CN(CC(CO)CO)C[C@@H](Cl)C#N	1930693779	VPJPOTGNYUTBRP-QMMMGPOBSA-N	206.673	-0.350	50	10	BBGE	
COC[C@@]1(O)CCCN(C(=O)NN)C1	1931664451	FSNKNOVOBVJGOG-MRVPVSSYSA-N	203.242	-0.957	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2[C@H](C1)C2(F)F	1931857352	GCDCZNDSWPYXKA-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCS[C@H](CO)C1	1936079287	FAHCDBKRNWYFBK-XHNCKOQMSA-N	245.348	-0.978	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094888	RBNXUXCWZOODSQ-IVZWLZJFSA-N	226.324	-0.752	50	10	BBGE	
COCC[C@H]1CN([C@H](C)CC(=O)NN)CCO1	1943667236	BUAIGHWLCVTUJL-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@H](O)[C@@H](C)O	1954240580	VQCCCSLKRHKVFK-XVMARJQXSA-N	209.673	-0.138	50	10	BBGE	
COC1(CNC(=O)NN)CCOCC1	1954924973	SXECOGSLMLDMSU-UHFFFAOYSA-N	203.242	-0.645	50	10	BBGE	
CCN(CC)CCN(C)[C@@H](C)C(=O)NN	1961249443	BUQUFCTZRUDJCB-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
NNC(=O)CCCCN1CC(F)(CO)C1	1961737581	SJVYHGGPEVASKY-UHFFFAOYSA-N	219.260	-0.837	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)C[C@@H]1C	1962492273	BMIIISHGSRKOOA-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
C#CCN(CCF)C(=O)c1cccc(B(O)O)c1	1965461882	JKKTVJXGBJEOSD-UHFFFAOYSA-N	249.050	-0.589	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12CCN(CC1)C2	1967588443	SYEZMQFPSLJCNX-SECBINFHSA-N	238.096	-0.843	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1	1970062130	CQHPBZKMSVFAHB-VIFPVBQESA-N	231.060	-0.492	50	10	BBGE	
CCc1ncncc1C(=O)NNC(N)=O	1975167901	VZBXLMMUEWJQBX-UHFFFAOYSA-N	209.209	-0.648	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCC[C@H]21	1978773123	AIZSMZYVFYNCPW-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
CCC[C@@H](C)COc1ncncc1B(O)O	1981422056	IWDYFDCPPNJDFR-MRVPVSSYSA-N	224.069	-0.029	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1985622518	KNBNNPHKHAQRCH-KVQBGUIXSA-N	243.698	-0.374	50	10	BBGE	
Cc1nc(O[C@@H]2CC2(F)F)ccc1B(O)O	1985882340	AGWYYCIWTNDIRW-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2[C@H](C)C(=O)NN	1987530078	PIUZDZMGRAPNKC-KXUCPTDWSA-N	226.324	-0.468	50	10	BBGE	
CCCOC1CN(CC(=O)NNC(C)=O)C1	1990775232	SWCVXNPSSADFQM-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NCC=CB(O)O	1991327538	QXGHPBUVJWQINP-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@@H]2C)c1B(O)O	1993081424	QISCBEFUBRDPAL-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]21	1993438660	UVKBKTJKKZWTKA-UFMYQOJPSA-N	242.662	-0.502	50	10	BBGE	
CC[C@H](OCC(COC)COC)C(=O)NN	1995202794	CBNXAESFOBVZFY-VIFPVBQESA-N	234.296	-0.320	50	10	BBGE	
COCC(COC)COCCCC(=O)NN	1995208303	ZQIUXRXBFYJQJW-UHFFFAOYSA-N	234.296	-0.318	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]([C@@H]2CCCO2)C1	2004395845	GPSDWROOCJNVRA-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CC[C@H]1CC[C@@H]1N(C)c1ncncc1B(O)O	2004916423	LNNBCAKLODMLRB-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
CCN(CC1CC1)c1ncnc(C)c1B(O)O	2004973590	XHCGPQNBJKOJAA-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@H]3C2)c(B(O)O)c1	2005018641	WSMCWTJMTUPZTN-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21)C(=O)NN	2005810310	XOAWHBBPBJOPJC-FNCVBFRFSA-N	237.303	-0.131	50	10	BBGE	
C[C@H](CN1CCN(C2(C)CC2)CC1)C(=O)NN	2009280845	WQNHXSGZKNXVFH-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CC(F)(F)C2)O1	2018242649	MASJNNUFFRBRSS-JGVFFNPUSA-N	249.261	-0.135	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@@H]1CCOC1	2019600820	NDKILPSKCXPJJV-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
C=C(CN1CCO[C@H]([C@@H]2CCOC2)C1)B(O)O	2021159165	OLAXXSIJASSEFL-MNOVXSKESA-N	241.096	-0.708	50	10	BBGE	
CN(C[C@H]1CC12CCOCC2)C(=O)C(=O)NN	2021194378	LEGJFMBKNJJLOD-MRVPVSSYSA-N	241.291	-0.749	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C[C@@]1(C)OC	2023279176	POOGNXNCSDRFLN-FXPVBKGRSA-N	245.323	-0.509	50	10	BBGE	
O=C1CN(C[C@]23CO[C@](CF)(C2)C3)CC(=O)O1	2023899973	SRJUXNVCOSVNMW-PHIMTYICSA-N	243.234	-0.110	50	10	BBGE	
CC(F)(F)C(=O)NCc1ccc(B(O)O)cc1	2025204915	RXQIKYYLXZFHQN-UHFFFAOYSA-N	243.018	-0.362	50	10	BBGE	
Cc1ccnc(N2C[C@H]3COC[C@H]3C2)c1B(O)O	2052469086	MHSMIELNOGYHBW-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cn1	2056636971	XBUCJUCIULDFIT-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1B(O)O	2067550617	JOVZRBAMWBNYBW-MWLCHTKSSA-N	247.103	-0.319	50	10	BBGE	
Cc1ncn(C)c1COc1cccc(B(O)O)c1	2068321120	BCKAJZCOADWNLN-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=C(CCl)N[C@@H]1CCC[C@H](O)[C@@H]1O	2209100658	JZBFTLYYDMILSU-GKROBHDKSA-N	207.657	-0.384	50	10	BBGE	
C=C[C@H](CC)O[C@@H](COC)C(=O)NN	2210034411	XQBHSBBNXRGYTK-SFYZADRCSA-N	202.254	-0.028	50	10	BBGE	
CS[C@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	2210489804	JUJPSAFMOYETHF-SSDOTTSWSA-N	243.332	-0.137	50	10	BBGE	
COC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2212606405	SWYRGQWQQVGDAD-MRVPVSSYSA-N	224.069	-0.483	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215777323	RZHDJFCEFKYKHK-VLEAKVRGSA-N	241.335	-0.295	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2ncccc2B(O)O)CC1	2217176390	VXLUTVYIDBLKPW-DTORHVGOSA-N	235.096	-0.557	50	10	BBGE	
C=CCOCCNc1nccc(B(O)O)c1F	2217179607	NHFURPJWXZXZEP-UHFFFAOYSA-N	240.043	-0.485	50	10	BBGE	
Cc1cnc(NC[C@@H]2C=CCN2)cc1B(O)O	2217180634	IPJQIUVKGGUKPT-VIFPVBQESA-N	233.080	-0.990	50	10	BBGE	
CC1(C)C[C@@H](N)[C@H]1Oc1cc(B(O)O)ccn1	2217186813	PJVSHCUDMJPUJT-PSASIEDQSA-N	236.080	-0.734	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217197018	WRWDRVVSJVAEBW-RKDXNWHRSA-N	236.080	-0.980	50	10	BBGE	
N[C@H]1CC[C@@H](CNc2ncccc2B(O)O)CC1	2223636021	FAYJQADMCPBYFV-AOOOYVTPSA-N	249.123	-0.309	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)CC1	2223649553	ATLLEOQBKKQHBE-QWRGUYRKSA-N	249.123	-0.167	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@@H]1Oc1cc(B(O)O)ccn1	2223662303	STLJILNXXRZFEE-MWLCHTKSSA-N	248.091	-0.590	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCNC1	2223669413	JMTLTKWNEAQKRN-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cccnc1N1CCC2(CC(O)C2)C1	2223678652	FWFYEVJMDKQJFO-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
COC[C@@H](SC[C@H](C)OC)C(=O)NN	2241561143	ZGYXEBCRLFGLIV-NKWVEPMBSA-N	222.310	-0.241	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]1Cl	2241574986	FBRIYZSAUUQBGM-NTSWFWBYSA-N	203.434	-0.702	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1coc(B(O)O)c1	2243350243	XYRGVMSBPFJDQX-POYBYMJQSA-N	223.037	-0.560	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)s2)C1	2243361915	IYUWHCDSSGOPAV-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
CNCCC[C@H](C)NC(=O)C1(B(O)O)CC1	2243363962	PFTZWUUMMVMUSP-QMMMGPOBSA-N	228.101	-0.502	50	10	BBGE	
CCC[C@H](CN)NC(=O)C1(B(O)O)CCC1	2243364244	TVWWWWQZKIHSEB-MRVPVSSYSA-N	228.101	-0.373	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C(=O)C1(B(O)O)CC1	2243364718	BGDHBYRUXHJKAT-SSDOTTSWSA-N	227.069	-0.635	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C(=O)C1(B(O)O)CC1	2243365841	SXQAYUFSVHGCOU-JGVFFNPUSA-N	227.069	-0.371	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)C1(B(O)O)CC1	2243365938	VENSDIXWSQJRJX-UHFFFAOYSA-N	223.041	-0.661	50	10	BBGE	
CC(C)(C)ONC(=O)c1cc(B(O)O)sn1	2243396346	LBDBQQUMPFCIFP-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243396698	PQTJLNCSHNIGLX-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
CCC[C@H](COC)NC(=O)[C@H]1C[C@H]1B(O)O	2243397175	WYFZXCQEDFACIC-HRDYMLBCSA-N	229.085	-0.219	50	10	BBGE	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C#CB(O)O	2243398188	BOOHIXLTDXNJET-KXUCPTDWSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]2CC[C@H]21	2243399063	JRNPZDPCMPVJOX-IVZWLZJFSA-N	221.065	-0.303	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)s1	2243407573	VJHJUTIAWIUBDB-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1N	2243408014	FHVJFDFEXQYWHV-HTQZYQBOSA-N	226.085	-0.811	50	10	BBGE	
CC[C@H](C)CNC(=O)c1coc(B(O)O)c1	2243409191	CQWWPMGPDJLLRL-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NC[C@H](C)F)s1	2243414531	CPGMZKNKWZWLFW-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
COC[C@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415144	PBGXRQWZUIVBAY-HLTSFMKQSA-N	229.085	-0.362	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H](CC)C1)B(O)O	2243432909	FUUDZRFRGPYTIW-SECBINFHSA-N	247.125	-0.384	50	10	BBGE	
C=C(CS(=O)(=O)NCC1CC=CC1)B(O)O	2243433598	NUWLXDLFTWCYSG-UHFFFAOYSA-N	245.109	-0.560	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1cc(B(O)O)co1	2244212701	UIDCQRVQGQDXSD-ZCFIWIBFSA-N	230.963	-0.903	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cocc1B(O)O	2244216007	HPIPHJWBDBCEFR-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H]1NCC[C@@H]1C	2245103455	KMKSWAYDGQINGJ-CBAPKCEASA-N	245.348	-0.115	50	10	BBGE	
COC1CN(c2cc(B(O)O)c(Cl)cn2)C1	2245913492	SEIIZPVVWJACTF-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c[nH]nc12	2247739726	AGXLMQNXVGELEF-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
NCC1CCN(C(=O)C2(B(O)O)CCC2)CC1	2247751130	SXUIWDJSFXHBDB-UHFFFAOYSA-N	240.112	-0.419	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247756013	KOMQCPCISPQPNL-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
CN(C[C@]1(C)CCOC1)C(=O)C1(B(O)O)CC1	2247759223	YXUNGMZVQIDGQR-JTQLQIEISA-N	241.096	-0.122	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)NC(C)(C)C)n1	2247790560	FJMIMWMDTWXEMM-UHFFFAOYSA-N	239.084	-0.889	50	10	BBGE	
CC12COC(CNC(=O)[C@H]3C[C@H]3B(O)O)(C1)C2	2247796530	ANISCJBFJNLLKA-IIPFWGKHSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247808020	JREOXXDRZUXZBI-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCC(O)CC1	2247809287	OQMSUTIAPNULMX-HORUIINNSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC(F)(F)C12CCC2	2247846998	PXIWGVCWIBAUFN-SSDOTTSWSA-N	243.018	-0.304	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H](C)N1	2247879784	VTWJCYIIXYQXCQ-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCOCC1	2247898092	AJTAKAXVAPGTDR-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247898729	HIYOZPZUHUIKSZ-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
CN(C)CC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247900530	XPHWVYGQJPEDFC-RKDXNWHRSA-N	240.112	-0.693	50	10	BBGE	
Cc1ncncc1NC(=O)C1CC(B(O)O)C1	2247906623	YZMQTAIBNCJYCP-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
CCCC[C@@H](CN)NC(=O)C1CC(B(O)O)C1	2247909704	KUTFQEIDNBROPZ-RTBKNWGFSA-N	242.128	-0.127	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2249416083	MTPCZRVKVJVKHI-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
C[C@]1(NC(=O)c2cocc2B(O)O)C=CCC1	2249422386	DAJSXDWWKQACGG-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@]12CC[C@@H](CO1)C2	2249999268	UDEOQYXJSXIMKO-KOLCDFICSA-N	237.064	-0.923	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC2(CC2)CO1	2250003979	DYZXZBBLFHXNMO-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C)CCN(C)C	2250859679	DAGSTEJZNJPKIT-VIFPVBQESA-N	244.339	-0.574	50	10	BBGE	
OB(O)c1ccnc(OCC23CC(CO2)C3)c1	2251180624	IJUZVTWVFBRIRC-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
O=C(N[C@@H]1CCC12CCC2)c1cc(B(O)O)c[nH]1	2255459040	AHBFJHMWGSSTAK-SNVBAGLBSA-N	248.091	-0.243	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1cc(B(O)O)c[nH]1	2255464594	YNOUGRQKXLTUPW-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
Cn1ccc(C2CN(C(=O)C3(B(O)O)CC3)C2)n1	2255489767	YLSPFQMCQUKCMN-UHFFFAOYSA-N	249.079	-0.647	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ncccc1B(O)O	2255514548	KHQOYEHRWWMSDG-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
N#CCCCCNC(=O)c1cncc(B(O)O)c1	2255523802	UFTIYBAWNRNSHK-UHFFFAOYSA-N	247.063	-0.815	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ncc(C)cc1B(O)O	2255556091	KNWMUFQVQWMSPM-WCBMZHEXSA-N	248.091	-0.402	50	10	BBGE	
CC(C)n1cncc1CN(C)C(=O)C#CB(O)O	2255664501	RGMBHYLEOUBKJS-UHFFFAOYSA-N	249.079	-0.562	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1OCc2ccccc21	2255669463	ORZZVMYBKFQOCW-LLVKDONJSA-N	245.043	-0.611	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N=c1cco[nH]1	2255688796	AGALZOMKVKTRPW-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#CC#CCNC(=O)c1cc(C)ccc1B(O)O	2255693254	YWLYLFBUVCBGTH-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1cncc(B(O)O)c1	2255713555	CPXSJSQJJUJLMC-SNVBAGLBSA-N	246.075	-0.566	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@@H]1C1CC1	2255717155	XBOVDYSXYZGKNC-LLVKDONJSA-N	246.075	-0.614	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1O	2255954009	RMGDHGXJDNWXTK-QMMMGPOBSA-N	249.075	-0.376	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1nccnc1B(O)O	2256061451	UKZHMSFOSNONDX-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H]3C2(C)C)n1	2257072608	WAOSFBVIIWGREE-DTWKUNHWSA-N	247.107	-0.300	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)co2)C1	2258131947	ATOGJUQLYHYGMZ-WPRPVWTQSA-N	247.059	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2[C@H](O)C[C@H]21	2298165690	SESYBWLCVNDDDK-OGBGREFGSA-N	239.319	-0.542	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCC[C@H]1O	2298371114	AEVXTPMCYNKZRR-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371148	BBAJJYOCYYBAAL-AXTSPUMRSA-N	240.112	-0.694	50	10	BBGE	
Cc1cnc(N2CC(F)(C#N)C2)cc1B(O)O	2301428910	UWKRLAVILQCRLY-UHFFFAOYSA-N	235.027	-0.878	50	10	BBGE	
Cc1noc(CCCN2CC[C@@H](B(O)O)C2)n1	2303107487	YESCLPANLWGCCX-SECBINFHSA-N	239.084	-0.141	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	2303424306	QFTDEKDOCHKWEG-UXCLJVHYSA-N	241.335	-0.152	50	10	BBGE	
CC(C)=C(F)CN=c1cc(B(O)O)c(F)c[nH]1	2303835648	ZXULFWRXFBUGJZ-UHFFFAOYSA-N	242.034	-0.002	50	10	BBGE	
N#CC1(O)CCN([C@]2(C(=O)O)CC[C@H]2N)CC1	2305449261	XZWMAPNMZIIMPH-LDYMZIIASA-N	239.275	-0.719	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c1B(O)O	2309539137	MDANDUHRDATGOO-JLIMGVALSA-N	245.091	-0.691	50	10	BBGE	
O=C1[C@@H]2C=C[C@@H](C2)N1Cc1cccc(B(O)O)c1	2312409007	KUNNXVIXIXSOTI-PWSUYJOCSA-N	243.071	-0.347	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2312612122	AICUYJNXMFGFIP-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
C[C@H]1NCC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317352082	SGPFVTDGTCTGCM-PRHODGIISA-N	249.075	-0.692	50	10	BBGE	
CO[C@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317352215	VQOYWUWHTCHYAU-NSHDSACASA-N	249.075	-0.596	50	10	BBGE	
C[C@@H]1Cc2ccccc2N1C(=O)C(=O)NN	36948088	NYDAOZXYURYVFY-SSDOTTSWSA-N	219.244	-0.046	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1C(=O)NC(=O)CCl	42397687	BMQBDJQCZSIKNO-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
O=C1CCN(C(=O)NC(=O)CCl)CCN1	62101151	ZGLRWQFMVKUIOO-UHFFFAOYSA-N	233.655	-0.717	50	10	BBGE	
COCCCN(C)[C@H](C(=O)NN)C(C)C	82469228	ISGBRRFKWNIIKD-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1[C@@H](C)C(=O)NN	82470493	IGFZARUNBVSLSG-CIUDSAMLSA-N	215.297	-0.136	50	10	BBGE	
COCCN(C)CCCCC(=O)NN	82470604	CHRSWAUZYUSZDX-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)C1=O	86598164	NHRYIXVESJKKQS-UHFFFAOYSA-N	214.269	-0.630	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](O)C2)nc1	94763757	BFGOEELLJVJGOQ-JTQLQIEISA-N	236.275	-0.748	50	10	BBGE	
Cc1c(C)c(=O)n(C[C@@H](Cl)C(=O)O)[nH]c1=O	132867173	XPRDOVOVWKMCLA-ZCFIWIBFSA-N	246.650	-0.155	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@H](O)CCl)cnc21	163068961	FCFFEIUOZXAIRU-ZCFIWIBFSA-N	242.666	-0.270	50	10	BBGE	
O=C1C[C@@H](I)NC(=O)N1	198074124	QROIAUODFCRVFZ-REOHCLBHSA-N	240.000	-0.023	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2B(O)O)N1	201811089	MEDYZQSURUMMJJ-VGMNWLOBSA-N	226.085	-0.870	50	10	BBGE	
OB(O)c1cccc(CN2CCCOCC2)c1	203133377	XHBXDKPPWGVVFL-UHFFFAOYSA-N	235.092	-0.411	50	10	BBGE	
O[C@@H](CCl)CN1CC[C@@H](N2CCOCC2)C1	225637223	RQHBBHKGFGFSTJ-MNOVXSKESA-N	248.754	-0.007	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H](C)CN(C)C	232268037	CERBYLRUWOFYQV-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
OB(O)c1ccc(-n2ccnc2)cc1F	238647319	KZTABFYLMQIFNS-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@H](C)CCC(=O)NN	251797423	XWRMSGLRMMWSFY-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CN(CC(=O)NC1CCOCC1)C(=O)CCl	258637164	FISLVCRMAHFQFE-UHFFFAOYSA-N	248.710	-0.021	50	10	BBGE	
Cc1nsc2ncn(CC(=O)NN)c(=O)c12	300897916	VQZOEMCLMMAXDP-UHFFFAOYSA-N	239.260	-0.849	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNC(N)=O	300929232	CVIHYKYNMKWQMA-RITPCOANSA-N	201.226	-0.642	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1O	306833009	PEZJSMHVFDYXSC-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1CN(C)C1	307282241	KPHPUVPQTXNVPW-YFKPBYRVSA-N	219.672	-0.247	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1cccnc1N	309242574	BBLZUVRZKQCNED-UHFFFAOYSA-N	222.248	-0.115	50	10	BBGE	
CC[C@H](N=c1[nH]nc(CCCl)o1)C(N)=O	379213530	GGEZISWUEOXKJB-YFKPBYRVSA-N	232.671	-0.051	50	10	BBGE	
CSCCONC(=O)NNC(N)=S	379354685	JENCQYOTWQXNLG-UHFFFAOYSA-N	224.311	-0.672	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@@H](C)C(=O)NN	385731508	AOMZKGYWLVAUQQ-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
COc1c(F)cc(B(O)O)cc1[N+](=O)[O-]	575709534	ZEWSHHJGTCWLIN-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCn1nc(C(F)(F)F)c(N)c1B(O)O	584881671	YYKGIRQYTNXHGB-UHFFFAOYSA-N	222.963	-0.816	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](C)C(O)[C@H](C)C1	688121127	CDLJUNUMEREPBV-DOLQZWNJSA-N	243.351	-0.050	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)CCC(=O)NN	688148301	UGFPGZBXRARVAO-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@@]12COC[C@H]1C2	689291585	ZXZWTJIGLFXQIE-SKDRFNHKSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2CC1(CO)C2	694583935	WKSHGFYYTMCEKA-KZNVNZARSA-N	227.308	-0.542	50	10	BBGE	
CNC(=O)CN(C)[C@@H](CC(C)C)C(=O)NN	695103239	VEWLFBRALTYQIV-QMMMGPOBSA-N	230.312	-0.931	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COC[C@H]1Cl	697786423	VOVWTURRLCBYNH-PHDIDXHHSA-N	217.660	-0.694	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1(C)COC1	702967835	BODWNKXWRKZFPT-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
Cn1cnc(CCN2[C@H]3CC[C@H]2C(=O)OC3=O)c1	703474734	NELKEAXSINIGOI-UWVGGRQHSA-N	249.270	-0.121	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1cc(B(O)O)ccn1	704174846	NMOLDGGULFIDIN-ZETCQYMHSA-N	237.068	-0.319	50	10	BBGE	
CNNC(=O)[C@H](C)NC(=O)c1ccco1	704631631	PTYPMTHDKORCMR-LURJTMIESA-N	211.221	-0.352	50	10	BBGE	
C[S@@](=O)N1CCc2cccc(B(O)O)c21	712242640	AKSJTKLJGZMZDF-OAHLLOKOSA-N	225.078	-0.978	50	10	BBGE	
C#CC[C@@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	717912889	MYPQONOKEPTLAF-VGMNWLOBSA-N	223.228	-0.713	50	10	BBGE	
C[C@@]1(C(=O)NNc2cnccn2)CCC(=O)NC1	798991628	DHYZGRZKYNWWJX-LLVKDONJSA-N	249.274	-0.164	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)N(C)C)C1	900427518	MOYXRFSXZAOVAO-RQJHMYQMSA-N	215.253	-0.286	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ccsn1	1154449132	BVPFWOXHYUREPI-UHFFFAOYSA-N	229.261	-0.325	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC12CC2)[C@@H]1COCCO1	1265592236	VFNQLBLJNWLNJI-YUMQZZPRSA-N	240.259	-0.651	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NN(C)C[C@H](C)O	1468762860	WMMSJRQJAJZEMG-YUMQZZPRSA-N	246.311	-0.977	50	10	BBGE	
C/C(C#N)=C/CN1C(=O)NC2(CC(O)C2)C1=O	1473076381	KTLMBKVVXJSWSO-UQCOIBPSSA-N	235.243	-0.098	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2cn[nH]c2)n1	1587135924	ZJUAWYSJEWIYHB-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
N#Cc1ncn(CC(=O)NNc2ccncn2)n1	1641048368	MLQJECHFBLXWBR-UHFFFAOYSA-N	244.218	-0.917	50	10	BBGE	
O=C(NNC(=O)c1cccc(O)n1)c1cc[nH]n1	1645304609	YGAQEUDNWZKWFK-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CC[C@H](N)C(=O)O	1866018178	VPZCRJPPHONPNW-RITPCOANSA-N	222.672	-0.078	50	10	BBGE	
NC1CC(O)(C(=O)NCC(Cl)Cl)C1	1882594027	IEVHTZOCTNLFSC-UHFFFAOYSA-N	227.091	-0.242	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H]2Cl)COC1	1883644031	FCYCDZMXMKXTKH-NTSWFWBYSA-N	204.657	-0.542	50	10	BBGE	
NC(=O)NCC1CN(C(=O)CCCl)C1	1887054406	WENGEBMAOFKCJU-UHFFFAOYSA-N	219.672	-0.258	50	10	BBGE	
COC[C@H](OCC(C)(C)F)C(=O)NN	1888993725	UGXYMXWTLHTGBU-LURJTMIESA-N	208.233	-0.244	50	10	BBGE	
N=c1[nH]nc(C(=O)NC[C@@H]2C[C@H]2Cl)[nH]1	1893106368	FLAJXKSULDKMCD-IUYQGCFVSA-N	215.644	-0.426	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1[C@@H](C)CC(=O)NN	1893845822	OQWOSRLGXGQNCR-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
COC[C@](C)(CN(C)C(=O)NN)OC	1895050463	ZJUVKVORDZATAB-QMMMGPOBSA-N	205.258	-0.447	50	10	BBGE	
CC1(C)OC[C@@H](NS(=O)(=O)CCl)[C@H]1O	1897073677	UMBSYSICRDOLCK-PHDIDXHHSA-N	243.712	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@@H](F)C1	1900260616	SLEZELABBQMCII-XHNCKOQMSA-N	231.271	-0.717	50	10	BBGE	
COC[C@H](OCP(C)(C)=O)C(=O)NN	1905141377	CHLRJCVFFZHNSP-LURJTMIESA-N	224.197	-0.412	50	10	BBGE	
Cc1ccc(CN2CC(F)C2)cc1B(O)O	1917269798	VLEVNHUDVHYZIX-UHFFFAOYSA-N	223.056	-0.171	50	10	BBGE	
COC(=O)CCSC[C@@H]1C[C@H]1C(=O)NN	1927917419	WCYSTJOIAZXFHS-NKWVEPMBSA-N	232.305	-0.091	50	10	BBGE	
Cc1nc(SC[C@H]2C[C@@H]2C(=O)NN)n[nH]1	1927918786	XHQGGZLRSWTHJC-RITPCOANSA-N	227.293	-0.169	50	10	BBGE	
O=C(CCCl)N[C@@H]1COC[C@@H]1CO	1928734593	BJENELMMXRSYFF-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1929066870	ZFSRAAAIDKNSEQ-BWVDBABLSA-N	213.281	-0.933	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)C(=O)NN)[C@@H]1C	1934287879	XGPLQRLUIWXWTA-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC[S@](=O)NCc1scc(C)c1B(O)O	1935196447	DYSSMMYSQVZIPN-HNNXBMFYSA-N	247.150	-0.490	50	10	BBGE	
C[C@@H](CN1CCOC[C@@H]1C1CC1)C(=O)NN	1936109757	BNQHATHOTPEYIZ-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1CC[C@H]2O)C(=O)NN	1936237115	MTNKXBMHJFZUHJ-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
CN1CC[C@H](N(C)CC2(C(=O)NN)CC2)C1	1938247491	UJRLUSVIVGOXBK-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940643733	KZXKDFIXQAAXAL-ZJUUUORDSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCn2nccc2C1	1941182687	BCMGKDPDAVTHAF-UHFFFAOYSA-N	245.233	-0.676	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1COCCCO1	1948399492	BTLWPHQTHVWAGR-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(CCBr)C2	1953513427	SOOGLXOHBBLZEB-DKXJUACHSA-N	236.109	-0.193	50	10	BBGE	
NC(=O)[C@@H]1CCCN1C[C@@H](O)CCl	1953980737	CONMHHFLLIVOOE-BQBZGAKWSA-N	206.673	-0.464	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)[C@@H](O)C1	1954240060	ROBNDFDKWSEVAI-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H](O)C1	1961134272	HEJDPWZSJOVEPF-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
OB(O)c1cccnc1OCC1CCC1	1961713389	SUZXCEBQCBNKHW-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
CN(CCF)c1ncc(B(O)O)cc1F	1961718202	LJTISJOLUDPFAK-UHFFFAOYSA-N	215.996	-0.694	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ncc(B(O)O)cn1	1961778941	RJOKTAOGDYJMLL-SVRRBLITSA-N	207.042	-0.999	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(N)(C(N)=O)CC1	1962304692	JNPRUEVRLQDSPZ-ZETCQYMHSA-N	230.699	-0.604	50	10	BBGE	
Cc1c[nH]nc1C(=O)N1CCC(B(O)O)CC1	1964501155	RWMZBORXVQFTOS-UHFFFAOYSA-N	237.068	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]12CC[S@@](=O)C2	1975992025	FYZKABHVVGKIQR-DOZZXWOPSA-N	245.348	-0.648	50	10	BBGE	
CP(C)(=O)[C@H]1CCCN(C(=O)C(=O)NN)C1	1976328903	GOKRVHHESHHHRH-ZETCQYMHSA-N	247.235	-0.410	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CC[C@H]21	1976586822	VCONLOFRTANQET-XFWSIPNHSA-N	227.308	-0.421	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@H](C)C(=O)NN)C1	1979300813	WFUUERHFVVZEHG-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
CC(C)(CN1CC([C@@H](F)CO)C1)C(=O)NN	1979546906	BXNXNXDNGAUITG-QMMMGPOBSA-N	233.287	-0.735	50	10	BBGE	
CC(C)(CCN1CC=C[C@H]1CO)C(=O)NN	1983181265	MWSIWUJVLYDZLD-VIFPVBQESA-N	227.308	-0.375	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983567097	INGXCQYEHYTIDR-UTINFBMNSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1OCC[C@H]1F	1984338513	VIDXRNUCOZIQRZ-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1984542247	IUNWNXCZDIDYEX-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccoc1C(=O)NN	1985738618	AVRRUKRKFYNMSA-XPUUQOCRSA-N	225.248	-0.552	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)CC1(C)C	1986377883	HJKFOSDLRWKWAU-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](OC[C@@H]1OCCOC1(C)C)C(=O)NN	1987315826	QTRUUNJWDWWCSI-YUMQZZPRSA-N	232.280	-0.425	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CCC[C@@H](C(=O)NN)O1	1990165061	UNBFFHWRFKAJMU-SFYZADRCSA-N	249.336	-0.358	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@H](CCO)C1	1991715203	RAJIRJUZWGBIAI-FHKCNRDCSA-N	247.678	-0.082	50	10	BBGE	
C=C(CN1CC[C@@H](N(CC)CC)C1)B(O)O	1992160114	RWTSKBXYHLQERZ-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2[C@H]3CN[C@H]2C3)CC1	1994011651	RYPPSCRHMDRSQW-MXWKQRLJSA-N	221.304	-0.055	50	10	BBGE	
CC(=O)NNC(=O)CN1CCNC[C@@H]1C(C)C	1995745731	BIQRYYVAFTXHCU-SNVBAGLBSA-N	242.323	-0.917	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1c1ncon1	1997752665	POQJUUBHUBSODA-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
Cc1cc(NC(=O)N2CCC2)ccc1B(O)O	1998340947	WCSMCBWHWUHMMO-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)CC1(C)C	2003759056	MRFZLTYPAMQWAZ-VIFPVBQESA-N	243.307	-0.611	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C2CCC2)nc1	2004911092	CHYMPNBYDRARMX-JTQLQIEISA-N	233.080	-0.465	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CC2)C[C@H]1CO	2005388430	FQAJMCXPERNGCA-UTLUCORTSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)C[C@H]2C1	2005992338	RJMBUGAZFFLMMU-XWLWVQCSSA-N	241.335	-0.439	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)CC(C)(C)C(=O)NN	2007574080	OIWBLPANWVULSA-BBBLOLIVSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CCCN2C)C1	2013603028	WACWAEZRRFNSOM-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
COCCCCOc1ncc(F)cc1B(O)O	2014933031	UXKOBASKGFVYLP-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
C[C@H](C(=O)NN)N1CCNC(=O)[C@@H]1C(C)(C)C	2019799470	XTGSIAHTNDAFHQ-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CC[C@H]3C[C@@H]2C3)nc1	2021285644	VZAAQHIDVIPBHD-XKSSXDPKSA-N	234.064	-0.276	50	10	BBGE	
C=C1CON(C(=O)c2ccccc2B(O)O)C1	2022199798	JPBFVXKIQSBNHP-UHFFFAOYSA-N	233.032	-0.690	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H](C2)C1	2026029159	IRKQKONFGSQLMX-AYMMMOKOSA-N	241.291	-0.845	50	10	BBGE	
CN(CCc1ncccn1)C[C@@H]1C[C@H]1C(=O)NN	2030284168	CQQJEIZQMVXPEA-VHSXEESVSA-N	249.318	-0.423	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3C[C@]3(C)C2)n1	2050246061	YIZKRYRRMSMJMG-QPUJVOFHSA-N	249.318	-0.135	50	10	BBGE	
Cn1cnc2c1CCN(C[C@H]1C[C@H]1C(=O)NN)C2	2050967303	NWYMLBUIGLWHLP-RKDXNWHRSA-N	249.318	-0.596	50	10	BBGE	
CN(Cc1ccncn1)c1ccncc1B(O)O	2052508235	WSGKDBBZSSYKRL-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@]32C)c1B(O)O	2052551044	AJCOVSJUMGUMJA-JOYOIKCWSA-N	247.107	-0.156	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1[C@H]2CCCC[C@H]21	2058161192	RWHDQTJFUGEPIK-URLYPYJESA-N	247.103	-0.036	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])c(B(O)O)cc1Cl	2060106263	VOAAFHJGGHJDTG-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855616	SDRYSTMBQKXCMY-BEKOTUFOSA-N	245.091	-0.753	50	10	BBGE	
C[C@@H]1CN(Cc2nscc2B(O)O)C[C@@H]1C	2211138066	OWSJHMAELFCQFZ-OCAPTIKFSA-N	240.137	-0.089	50	10	BBGE	
COC1(C)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211827843	OFKNYLYULKXJSB-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CCCOCCSc1ncncc1B(O)O	2212094994	IPOYIPOQXLRXFR-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCC[C@H]21	2212604565	QMPPEDIOEJHLCU-MBTKJCJQSA-N	218.065	-0.028	50	10	BBGE	
CC(C)(CN)Oc1nccc(B(O)O)c1F	2212605381	CQOHQKNGJWTZSL-UHFFFAOYSA-N	228.032	-0.983	50	10	BBGE	
Cc1cnc(OC[C@@H]2CC[C@H]2N)cc1B(O)O	2217168836	YQCNEWUDCZURHJ-WCBMZHEXSA-N	236.080	-0.814	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)CCO1	2217180995	MUSBMJQFFUAOCB-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CC[C@@H](COc1cc(B(O)O)c(C)cn1)NC	2217181323	OGMQALUWYJIXPW-VIFPVBQESA-N	238.096	-0.553	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CO[C@H]3C[C@@H]2C3)nc1	2217181984	XTQRPFIJTRUPAH-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
OB(O)c1cnc(NC[C@@]23CCC[C@H]2C3)nc1	2217194531	AQSGRCQKPAXJEL-KWQFWETISA-N	233.080	-0.242	50	10	BBGE	
C#C[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	2217196696	HVYWNWKEYKBKRR-VIFPVBQESA-N	231.064	-0.994	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C=C[C@H]2C3)c1	2217196839	IKAJEYNGXNCDMV-KOLCDFICSA-N	230.076	-0.084	50	10	BBGE	
COCCN(c1cc(B(O)O)ccn1)C1CC1	2217205171	UUGOUPHZPCWZPL-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCC[C@@H]1C2	2217409413	RTDBOTCZYAQJLC-LDYMZIIASA-N	234.064	-0.887	50	10	BBGE	
C=C[C@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2220062753	ILOASUYGVBMZGJ-ZDUSSCGKSA-N	247.103	-0.511	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccnnc1O	2222493026	GGUAWJRUWWEMPW-QMMMGPOBSA-N	249.035	-0.987	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@H]1CN	2223637571	GCABTELWTWSBLZ-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(NC[C@]23CCOC[C@H]2C3)nc1	2223653329	PWSVOHSZXQFFPP-BXKDBHETSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3CNCC[C@H]32)nc1	2223666554	MNZQKDFXZLSPLD-FBIMIBRVSA-N	248.091	-0.862	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@@H]1CCCNC1	2223670863	DPGCGIBNWUWDCE-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
NCC[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223678087	WWMWXJWZGLTCQO-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
C[C@@H](Cc1ccco1)Nc1ncc(B(O)O)cn1	2223679852	VJOVLJQQGHRUMP-QMMMGPOBSA-N	247.063	-0.208	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]21)C(=O)C#CB(O)O	2243349081	FRIJZACDOQSOGO-KXUCPTDWSA-N	221.065	-0.494	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccsc1B(O)O	2243358755	KMBODWFIKAVGOL-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
CN(CC1CC1)C(=O)c1ncsc1B(O)O	2243359672	WCKSBHQBOGIXFM-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CCc1ccc(CNC(=O)C#CB(O)O)o1	2243361997	KNDFIRYQOZYCBQ-UHFFFAOYSA-N	221.021	-0.526	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243377674	DYSGRSLNUVMAFV-RITPCOANSA-N	240.093	-0.649	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)cs2)C1	2243378147	NJMYQHCDVSULJE-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CCN(OC)C(=O)c1scc(B(O)O)c1C	2243381841	JLUMITTXFIQZIE-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
O=C(NO[C@H]1CCOC1)C1(B(O)O)CCC1	2243410525	CQAPQJUJRXWHPF-ZETCQYMHSA-N	229.041	-0.780	50	10	BBGE	
O=C(NC[C@@H](O)C(F)(F)F)C1(B(O)O)CC1	2243410630	FJZMIQHEEVAAKJ-SCSAIBSYSA-N	240.974	-0.967	50	10	BBGE	
CC[C@@H](CCO)NC(=O)C1(B(O)O)CCC1	2243411617	XMDXEOVWEKUFGV-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
CN(CC(C)(C)N)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416502	KJLPRDMDFXWGJP-OCAPTIKFSA-N	228.101	-0.565	50	10	BBGE	
CN(CCCCCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243427395	UWPXRLCUNHMHHU-IUCAKERBSA-N	229.085	-0.530	50	10	BBGE	
Cc1nc(O[C@H](C)C(F)F)ncc1B(O)O	2244239728	GCIUIEYPVUQKEH-RXMQYKEDSA-N	231.995	-0.503	50	10	BBGE	
NNC(=O)CN1CCC2(CC[C@H](O)C2)CC1	2244893102	USHCXJDOMZLJDN-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247735925	QDFVKJFXWYPQSV-SECBINFHSA-N	233.032	-0.803	50	10	BBGE	
Cc1ccc(CCNC(=O)C#CB(O)O)nc1	2247738291	PRXWRNYPCGPYCU-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@H]1C	2247739757	BBNSUEIDRFAYNH-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H](F)C1	2247740895	RERMKEXGJQACCM-MRVPVSSYSA-N	240.043	-0.731	50	10	BBGE	
CC(C)N(C[C@@H]1CCOC1)C(=O)C#CB(O)O	2247743748	IRVMUSLGLABMOK-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@H](CO)C1CCCC1)C1(B(O)O)CC1	2247750966	QQHXHOLIXJKCOC-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
CCCN(C)C(=O)c1cccc(F)c1B(O)O	2247759686	VJPAKIGUOCALFQ-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(F)c(B(O)O)c1	2247761113	REXDSDFJZPCFHG-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
O=C(NCCOCCC1CC1)[C@@H]1C[C@@H]1B(O)O	2247800233	MYRFWOJXGPXNIR-ZJUUUORDSA-N	241.096	-0.218	50	10	BBGE	
N#Cc1cccnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247800539	PYGUUHUMIOSYBM-SFYZADRCSA-N	231.020	-0.245	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247807975	SKSUOZZGGUFXGN-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
COCC1CCC(NC(=O)C#CB(O)O)CC1	2247850506	PDNFDQDGYYGDLI-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCC12CC2	2247852789	ZODKIWUPFDNALU-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
CC(C)C[C@@](C)(CN)NC(=O)C1(B(O)O)CC1	2247853326	KKHRFLJWRHPVEA-JTQLQIEISA-N	242.128	-0.127	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC2(F)F)oc1B(O)O	2247855493	TVMIHDYYLRILLN-ZCFIWIBFSA-N	244.990	-0.595	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247878924	QGCIPDOJMCFQDO-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCOC1	2247887178	LCUOCBQUOGPTNY-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CC(F)F)C1COC1	2247887471	OMPLJNANUVBNCG-RQJHMYQMSA-N	249.022	-0.658	50	10	BBGE	
CC(C)[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2247898113	AMOWHTPGEYFOQF-FXQIFTODSA-N	243.068	-0.535	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586334	ZIJIOLQASXMQNG-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C(=O)O	2248588303	BAHWCTBRPJSDMA-NGJRWZKOSA-N	241.052	-0.829	50	10	BBGE	
COCCCCCOc1ncncc1B(O)O	2250000602	KSYRUTCRZSSLEB-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2251031832	YJXGBTJEVDIFEV-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccncc1B(O)O	2255449520	OGCXKQDLUJYBMQ-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
O=C(NCC1CCCC1)c1ncncc1B(O)O	2255520940	QHJIERCTRFMYEN-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	2255679815	JCXYBYABMLIACD-HKLXJQGRSA-N	247.103	-0.105	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ccncc1B(O)O	2255694501	OMNWENMEZCPYMK-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1cncc(B(O)O)c1	2255732973	DLDFZEXFFDIIGH-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(C)ccc1B(O)O	2255734801	HUKDZQJFVUCCQX-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
Cc1c2ccc(NC(=O)C(=O)NN)cc2nn1C	2259100009	QQHWPPWLXQGWFG-UHFFFAOYSA-N	247.258	-0.190	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CC2)c1cc(B(O)O)n[nH]1	2260549707	DNWHKCIHXIAXOS-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377503	TYSNYCQZUXZYLD-BGZDPUMWSA-N	240.112	-0.661	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463477	DRUMIJPJQRQSHE-NGJRWZKOSA-N	243.068	-0.535	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C[C@H]1CCO1	2302383275	OPRFQJJYSKJNGW-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CC(C)[C@H](N)CNc1ccc(B(O)O)cc1C#N	2317168405	UESGOGGSFZNUCU-LLVKDONJSA-N	247.107	-0.367	50	10	BBGE	
CC(C)CN(C(=O)C(=O)NN)C(C)C	42597277	SIDTZQPZNVTJTB-UHFFFAOYSA-N	201.270	-0.131	50	10	BBGE	
CC[C@H](Br)C(=O)NCc1nnn[nH]1	61493840	YJNSZXCFQBHJRC-BYPYZUCNSA-N	248.084	-0.011	50	10	BBGE	
NNC(=O)c1cn(CCOCC2CC2)nn1	82464651	PONSORHXZRSTJY-UHFFFAOYSA-N	225.252	-0.692	50	10	BBGE	
COCCN(C)[C@H](C(=O)NN)C(C)C	82470598	KAKUNWIHJZLDQR-QMMMGPOBSA-N	203.286	-0.421	50	10	BBGE	
C[C@H](Sc1nccn1C)C(=O)NN	82471804	KVLUHERCHNZWNJ-YFKPBYRVSA-N	200.267	-0.109	50	10	BBGE	
Cc1ncccc1C(=O)NNC(N)=S	87123791	UZDAXHGRYUKUCP-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@H]1C2	110890431	CGKKIEULNHFYIG-BIIVOSGPSA-N	211.265	-0.471	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1ccnc1	199005469	GBPFDZIKKLMLPS-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
COCCOCc1ccc(B(O)O)c(C)n1	203777456	RTMAGPHGDDUUAZ-UHFFFAOYSA-N	225.053	-0.767	50	10	BBGE	
Nc1cnn(Cc2ccccc2)c1B(O)O	204483189	RFDJYJZRBSTKLF-UHFFFAOYSA-N	217.037	-0.807	50	10	BBGE	
CN(CCCCCO)CCC(=O)NN	227147599	ANTHIQTXXDSRTH-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
CC(C)[C@@H](NS(=O)(=O)CCCl)C(N)=O	231059742	STHADNSLAARWEI-ZCFIWIBFSA-N	242.728	-0.346	50	10	BBGE	
O=S(=O)(CCCl)NCC1CC(O)C1	232300326	NTWZPYOWSLCRCT-UHFFFAOYSA-N	227.713	-0.085	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(OC)CC1	232419166	BLSLZCMOCSEXHE-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCCN(C)C1)C(=O)NN	251068918	DYSQRVVLZNYQQS-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCCO1)C(N)=O	272211232	RLBDWUYVGRAYMD-QMMMGPOBSA-N	201.226	-0.403	50	10	BBGE	
O=C(CS(=O)(=O)CCl)NC1CC1	300794550	ZIUXRALLCRYTME-UHFFFAOYSA-N	211.670	-0.124	50	10	BBGE	
OB(O)c1ccc(C2OCCO2)s1	306641471	MKIVDIXRVUKTKU-UHFFFAOYSA-N	200.024	-0.527	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](CO)CC1	382111256	KMSVJDQTUVYFPO-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC1(O)CN(Cc2cc(C(=O)NN)co2)C1	384048629	MBKFHSINOVGZRN-UHFFFAOYSA-N	225.248	-0.550	50	10	BBGE	
CC1(O)CN(CCCCCC(=O)NN)C1	384078340	XKERLTJCTGYWAW-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@@H]1CCC(=O)N1Cc1nc(C(=O)NN)co1	386736005	DALVMJDVVQVXLR-ZCFIWIBFSA-N	238.247	-0.211	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CCCNC1	389976943	GGDGTYRHUQDUIG-ZETCQYMHSA-N	215.253	-0.237	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCn1ncnn1	390757521	JDDZGMFDNVZAIL-YFKPBYRVSA-N	246.658	-0.874	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@@H](CO)C1	395614748	NKRNPFRHTCMQDH-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(B(O)O)c(O)c1	396026853	WXTXISUWWINSHD-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
CC(=O)Cc1ccc(C(=O)O)c(B(O)O)c1	396131286	ZYBIDTBRLVXMFN-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1sc2cccc(C(=O)O)c2c1B(O)O	396235033	AFTKVCQVFLNLLQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1ccc(O)c2sc(B(O)O)cc12	396374198	BKZRVVSEXWDLSQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCS(=O)(=O)Nc1cc(B(O)O)ccc1C	404937013	OUVNLQHLAWPJDP-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
CC(C)C(=O)NCc1cc(B(O)O)cs1	404944288	NDVCQGOCBHUWLP-UHFFFAOYSA-N	227.094	-0.300	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)c(C)c1	405167147	NTHKLFLCLICEBY-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
CN1CC(=O)N(CCBr)C(=O)C1	575595375	FYOCBXQAYJTKBR-UHFFFAOYSA-N	235.081	-0.318	50	10	BBGE	
Cc1c(Cl)cncc1NC(=O)C(=O)NN	691053569	UJOWHADRNBFSID-UHFFFAOYSA-N	228.639	-0.028	50	10	BBGE	
OB(O)c1cccc(CN2CC3(COC3)C2)c1	697120281	JYGVCNORGMELCI-UHFFFAOYSA-N	233.076	-0.801	50	10	BBGE	
CCO[C@@H]1CCN([C@H](C)CC(=O)NN)C1	701693883	XEZFXNYLWMATDW-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CN([C@@H]1COC[C@@H]1O)[C@@H](C(=O)NN)C(C)(C)C	708124847	RIMFGVSXYSQMDB-VGMNWLOBSA-N	245.323	-0.918	50	10	BBGE	
CC(C)[C@@H]1CN([C@H](C)C(=O)NN)CCO1	708953610	RBCWIKXEEVTEDB-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(C)(O)C1	710036406	MLYWLQISWLBQFQ-QMMMGPOBSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)[C@@H]1O[C@@H](C(=O)NNC(C)=O)C[C@H]1C	864427070	HQLYIUFJPZZYBG-LPBLVHEISA-N	244.247	-0.880	50	10	BBGE	
C[C@H](C(=O)NN(C)C[C@@H](C)O)c1cncnc1	910152696	MZLBPPRISRASMZ-BDAKNGLRSA-N	238.291	-0.076	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)C1CCOCC1	923058059	UHQLJLLKDNUBJC-XADBCAIWSA-N	242.275	-0.503	50	10	BBGE	
CN(NC(=O)c1cccc(=O)n1C)C(N)=O	1151321125	WMBUSBSSTYFFPB-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCl	1260932244	KFDVKTVZQFIDGY-BQBZGAKWSA-N	224.713	-0.099	50	10	BBGE	
CCCOc1cncc(NC(=O)C(=O)NN)c1	1328951223	AEUFFLGZEYVSSW-UHFFFAOYSA-N	238.247	-0.201	50	10	BBGE	
O=C(NNC(=O)C1CCC1)N[C@H]1CCNC1=O	1347145810	OYUGYJFHJHGOFH-ZETCQYMHSA-N	240.263	-0.995	50	10	BBGE	
O=C(CCN1CC[C@@H](F)C1)NNC(=O)C1CC1	1623974999	OIFGWSNARASRGQ-SECBINFHSA-N	243.282	-0.022	50	10	BBGE	
CNC(=O)NNC(=O)[C@]1(C)CC1(F)F	1630972611	PCHCHOPCOHNVIV-LURJTMIESA-N	207.180	-0.008	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCNC1	1883626681	JZTJOXZKSZURGO-ZCFIWIBFSA-N	202.641	-0.214	50	10	BBGE	
COC[C@@]1(C)CCN1[C@@H](C)C(=O)NN	1884802756	CIKATORFZONVFS-IONNQARKSA-N	201.270	-0.524	50	10	BBGE	
COC(=O)CSSC[C@H](N)C(=O)O	1887595869	ZSRKYRMNZMFYIK-BYPYZUCNSA-N	225.291	-0.047	50	10	BBGE	
CC1(C)[C@H](O)C[C@@]1(CO)NC(=O)CCl	1890900811	SVOAWGRTIDEDFY-MUWHJKNJSA-N	221.684	-0.137	50	10	BBGE	
O=C(CCNCCO)NC[C@@H]1C[C@@H]1Cl	1891641686	BGAOIFXAURCZAB-YUMQZZPRSA-N	220.700	-0.298	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C[C@@H](O)CCl)C1	1891943867	ZJXBLRADGUEWLU-XHNCKOQMSA-N	223.700	-0.332	50	10	BBGE	
Cc1cnn([C@H](C)CC(=O)NN)c(=O)c1	1893840496	GQBGPNRMIXGGCM-SSDOTTSWSA-N	210.237	-0.507	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)NC(C)(C)C1=O	1894130657	DKNJKXFZSMMNJU-RXMQYKEDSA-N	228.252	-0.915	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C(F)F)CC1=O	1895300593	OVYGCPJFABSUEG-WDSKDSINSA-N	235.234	-0.132	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1[C@H](C)CC(=O)NN	1900188575	BMKWWBVITUAPKB-WCABBAIRSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	1901230492	IBMOICYURMQSND-XLPZGREQSA-N	223.276	-0.329	50	10	BBGE	
CN1CC[C@]2(CCCN(C(=O)NN)C2)C1=O	1901243584	XVJXPAQJACSDMV-JTQLQIEISA-N	226.280	-0.486	50	10	BBGE	
C[C@H]1CCN[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901374856	WWCWAUKXDZEGSJ-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
C[C@H]1CN(Cc2nc(B(O)O)cs2)C[C@@H]1F	1902641204	LKVFGSXNBPCTFJ-BQBZGAKWSA-N	244.100	-0.387	50	10	BBGE	
NC(=O)C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1Cl	1902758299	NQRWSESOXHDGJI-BWZBUEFSSA-N	245.710	-0.711	50	10	BBGE	
COC(=O)CSc1cc(B(O)O)c(F)cn1	1903006101	OYONGEMPZGFFSQ-UHFFFAOYSA-N	245.040	-0.834	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cc(B(O)O)co1	1905064035	BHHPNSNHISRXFQ-KNVOCYPGSA-N	227.000	-0.810	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2C[C@@H]21	1916276616	TUJDQLGPRJOJIX-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](CN(C)[C@H](C)CCO)C(=O)NN	1917043420	QPYVROBMGVRWBL-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1917583278	XLWUHXCXSBRWSE-JAJWTYFOSA-N	209.249	-0.022	50	10	BBGE	
CC[C@@]1(F)CCN(CCOCC(=O)NN)C1	1925558943	PVYFGBSUVNOUNI-SNVBAGLBSA-N	233.287	-0.183	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCOCC1	1928156472	FXSLQBBYGHPZEA-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@H]1[C@@H](O)CO	1928572892	BXGRCHKWZJSEMF-CSMHCCOUSA-N	237.683	-0.806	50	10	BBGE	
C[C@]1(O)CON(C[C@@H](O)CBr)C1	1930277475	OKEDADCOKXRGDC-NKWVEPMBSA-N	240.097	-0.260	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C1CC1	1930436516	ZSTYZYYRDZSZDR-HTQZYQBOSA-N	211.265	-0.329	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCc2c[nH]nc2C1	1936028711	JXVHIWLQGIPGID-YFKPBYRVSA-N	239.304	-0.621	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]1C1CC1	1936529179	KFKPARAZQKDZOL-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(F)(F)CO	1938123311	YIWWPCMIDDTURO-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
COCCN(CCC#N)C[C@@H]1C[C@H]1C(=O)NN	1941087077	LMZPWCXVWBVICM-VHSXEESVSA-N	240.307	-0.526	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCN(CCF)CC1	1941091526	ZASCKQAXGORKKW-UWVGGRQHSA-N	244.314	-0.801	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(=O)C2	1941990548	ZXCZDTZADFJKLH-IUCAKERBSA-N	239.275	-0.650	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@H]1CN(C)C	1947728661	UYZYPXSOZHTEDX-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@H](N)C1	1954216735	ZUYWLNUDBWGXEO-HTQZYQBOSA-N	203.673	-0.223	50	10	BBGE	
C[C@H](Cl)CC(=O)NCc1nn[nH]n1	1954238153	DTHVWEMCRCZKQQ-BYPYZUCNSA-N	203.633	-0.167	50	10	BBGE	
C[C@@H](Cl)CC(=O)N=c1nnn(C)[nH]1	1954240201	STZWZDCQYMOTFU-SCSAIBSYSA-N	203.633	-0.412	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)CC(=O)NN)C1	1954964313	OFGACSMFPBFJFA-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
O[C@H](CCl)CN1CC(N2CC(F)C2)C1	1955340692	GEWRONMHMMODAC-SECBINFHSA-N	222.691	-0.076	50	10	BBGE	
C[C@@H]1CN(S(C)(=O)=O)[C@H](N=C=O)CO1	1956389425	PRBRCLQORIUAOK-RQJHMYQMSA-N	220.250	-0.671	50	10	BBGE	
NNC(=O)N1CCO[C@]2(CCCOC2)C1	1960909356	XLMJBLSWVFYWIY-SECBINFHSA-N	215.253	-0.549	50	10	BBGE	
OCCCN1CCN(C[C@H](O)CCl)CC1	1961251644	SUBUZSXKAIRWEE-SNVBAGLBSA-N	236.743	-0.414	50	10	BBGE	
CC1(C)CCN1c1ncncc1B(O)O	1961692651	VGWFYMXBJLLOBX-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1975937923	AYCOBUSHUNRTDQ-HCWXCVPCSA-N	233.218	-0.616	50	10	BBGE	
NNC(=O)CN1CCC([C@@H]2CCCO2)CC1	1981082903	ODAROCUOGOQAFG-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@@H]2C[C@H]21	1981143790	PAIPBTVXGVLKLC-HLTSFMKQSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1CC(=O)N(CCOCC(=O)NN)[C@@H]1C	1981163211	MMFQVMIVNFKAKB-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)CC(C)(C)C1	1981411966	PXROENWKOHEDGW-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1ccc(B(O)O)cn1	1981413820	KXIZZRKNGKVQDO-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H](F)[C@@H](F)C1	1981425122	CHQXQOCCFVDETL-YUMQZZPRSA-N	228.007	-0.742	50	10	BBGE	
Cc1cnc(-n2cnc(C)c2)c(B(O)O)c1	1981465283	LDLIXSBMLWTIBX-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
COCCN(C)Cc1cnsc1C(=O)NN	1981729660	CFQHZKQIWLWPFO-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
CO[C@H]1C(=O)NC(=O)N(C2CC(Cl)C2)C1=O	1983210761	CTNCVVUATJBPSC-WRVKLSGPSA-N	246.650	-0.150	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ncc(B(O)O)cn1	1984212621	UJGFVFSTCIIHIK-YFKPBYRVSA-N	231.011	-0.754	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@@H]1C(C)C	1985695415	YGJAIMGLGKBDJB-JGVFFNPUSA-N	229.280	-0.752	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1nc(C(=O)NN)cs1	1985746128	YZLLUKMOIDPUQJ-CAHLUQPWSA-N	242.304	-0.688	50	10	BBGE	
CSCC1(C)CN(CCOCC(=O)NN)C1	1985893821	BCHIITTVRKMXSN-UHFFFAOYSA-N	247.364	-0.322	50	10	BBGE	
C[C@H](Cn1cnnc1)NC(=O)NC(=O)CCl	1987210231	KUDHZIJFSNMQQL-ZCFIWIBFSA-N	245.670	-0.269	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](CO)C12CC2	1988759669	BCDBMMUMCBGQHK-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CC(C)(C)C(=O)NN	1990041472	RUVPELHBNYKUPU-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C=C(CN1C[C@@H]2CCN(C)C[C@@H]2C1)B(O)O	1992152330	CWWUNJHZJZSGIZ-WDEREUQCSA-N	224.113	-0.562	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CCC[C@]2(CO)C1	1997169067	AQIHYJMEPWKTCY-ZYHUDNBSSA-N	241.335	-0.149	50	10	BBGE	
OB(O)c1cc(F)ccc1OCCC1COC1	1998048865	BQUWYOGQLISMHS-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
CC[C@@]1(CO)COCCN1[C@H](C)CC(=O)NN	2003264336	JJYHHDVRFXBNQC-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CN(C)CCCn1cccn1)C(=O)NN	2003823666	AFMXHTPEIUIIFU-JTQLQIEISA-N	239.323	-0.169	50	10	BBGE	
Cc1ccc([C@@H]2COCCN2CC(=O)NN)o1	2004416596	HVPJSTANXCXDBF-VIFPVBQESA-N	239.275	-0.049	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2CCC[C@H]2C1	2004934452	FGLINDWCRKTYNI-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]3C[C@H]32)n1	2005014172	HSIXSPBSPQZJEZ-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)[C@H]1C[C@H]1F	2006988114	JTOHLMFSFAVSOK-IMTBSYHQSA-N	241.002	-0.198	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2O	2008730384	KOEWRMTVMQRYDX-YKDSUIRESA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975881	VAONCZHLVTUAMO-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H](COC)C(=O)NN)OC	2013417761	MRVBOFSFXFOLEK-KOLCDFICSA-N	247.339	-0.262	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@@H](CC(=O)O)C1	2014432234	DJTKYWWNRDZXFK-HTQZYQBOSA-N	245.279	-0.216	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@@H]1C[C@@H]1C(=O)NN	2014823765	JLSPQENOPBEGEM-IUCAKERBSA-N	242.323	-0.978	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC12CC(CO1)C2	2017767469	RHQDZMOGJNJHJF-YUCVTWSNSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cncnc1	2019206945	AXZIIQIYHHBQRJ-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
COC[C@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	2020062873	VDDKHXZTTFQKTQ-VHSXEESVSA-N	241.096	-0.267	50	10	BBGE	
NNC(=O)c1coc(CN2CCOCCO2)c1	2021413432	VUHDDVIKXJVJIV-UHFFFAOYSA-N	241.247	-0.353	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@H]3C2=O)n1	2050246296	BQVPIBCAFBAVTD-RNFRBKRXSA-N	249.274	-0.998	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCCC[C@@H]32)c1B(O)O	2052560410	XIVHMUASRAUYRK-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)cc1	2079011826	JXOUQALIQHPALM-VXGBXAGGSA-N	245.087	-0.105	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1cccc(B(O)O)c1)C2	2079012424	UAYMWAJLBNSJEY-GXFFZTMASA-N	245.087	-0.152	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)COC[C@@H]2C1	2211716972	GRPIVLXALFOBHP-YUMQZZPRSA-N	246.694	-0.317	50	10	BBGE	
OB(O)c1ccnc(NN2CCCC2)c1F	2212605201	ZKMZEBOIDJTNMB-UHFFFAOYSA-N	225.032	-0.677	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2C[C@@H]2C1=O	2215709817	MUJOGTLACKDDFI-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(O)(C2CC2)C1	2215773289	ASQDPWZRXHHXTG-SCZZXKLOSA-N	239.319	-0.541	50	10	BBGE	
CN1CC[C@H](N(C)C[C@H]2CC[C@@H]2C(=O)NN)C1	2215773554	BPBBIPMPEGDDJD-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CC1(C(=O)NN)CCC1	2216528898	VTJQBKVKNPCIPB-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1(CO)CCC1	2217173389	QCSLKKPLLGFLMZ-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3CC[C@H]32)nc1	2217176433	WGWXFRVEJJALQB-FXBDTBDDSA-N	233.080	-0.243	50	10	BBGE	
OCCCC1(Nc2cc(B(O)O)ccn2)CC1	2217176985	CYKSKHTUTWEGBV-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
N[C@H]1CCC[C@H](Oc2ccc(B(O)O)cn2)C1	2217178675	AFIZSSIFUFEICR-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@H]3C[C@@H]32)[nH]c1	2217179193	HTWCJQGAAQWDNC-QXEWZRGKSA-N	232.092	-0.359	50	10	BBGE	
Cc1cnc(N2CC=C[C@@H]2CF)cc1B(O)O	2217180970	MQDYUKSRIZNLHG-SECBINFHSA-N	236.055	-0.216	50	10	BBGE	
CCN(C)CCNc1nccc(B(O)O)c1F	2217182444	ATOYCEPQOHEQQV-UHFFFAOYSA-N	241.075	-0.736	50	10	BBGE	
C[C@H](N)[C@H](C)COc1nccc(B(O)O)c1F	2217192775	JKKIBSUWQJAYQR-RQJHMYQMSA-N	242.059	-0.737	50	10	BBGE	
COCCC1CN(c2cc(B(O)O)ccn2)C1	2217196151	PUYWOVHSSJRIQN-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC=CC3)C2)c1	2217198680	FAQJUKODFHIOQQ-UHFFFAOYSA-N	230.076	-0.082	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2217202089	HKBXGEDEYFJTHM-WPRPVWTQSA-N	235.096	-0.877	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cn1)C(=O)OC	2217202790	ZXHLINDVXXJPJS-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
C=CCCOCCNc1cc(B(O)O)ccn1	2217204105	FEJZUGNUOPQINC-UHFFFAOYSA-N	236.080	-0.234	50	10	BBGE	
C[C@H](N)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220062312	GVWHCMFGRHNYCQ-JQWIXIFHSA-N	248.135	-0.465	50	10	BBGE	
CN1CC[C@H](CN(C)c2cc(B(O)O)ccn2)C1	2223637917	SUMWWSUGJPBLOD-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2223651641	DIJYJOHLELTJBS-AOOOYVTPSA-N	249.123	-0.487	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223671550	NTQLAVXLCSWZKY-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ncccc1B(O)O	2223674562	LSWLZDQMWVTSTB-URPMGSGRSA-N	247.107	-0.701	50	10	BBGE	
O=S(=O)(N[C@H]1CC[C@@H]1O)N1CC(Cl)C1	2241348556	SUUIHDVJFOJHML-BQBZGAKWSA-N	240.712	-0.733	50	10	BBGE	
CCOC(=O)c1scc(C)c1B(O)O	2241492488	CDCYYINZUAQBJH-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
CO[C@H](C)CSc1nc(B(O)O)cs1	2241558724	KOFZIOOUBRPVTK-RXMQYKEDSA-N	233.123	-0.050	50	10	BBGE	
COC[C@@H](O[C@@H](C)C(F)F)C(=O)NN	2241797793	LIGNVPMNXRCUGJ-CRCLSJGQSA-N	212.196	-0.339	50	10	BBGE	
C[C@@H]1C(NC(=O)c2nscc2B(O)O)[C@H]1C	2243347308	LEPQFGYDXMOFFU-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1ccnnc1	2243358138	CVCPYGTZCPBQIG-UHFFFAOYSA-N	221.025	-0.554	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2243365007	GKNKXCLMSGHDDR-JIGDXULJSA-N	225.053	-0.856	50	10	BBGE	
CON(C)C(=O)c1ccc(B(O)O)cc1C	2243403688	BADYAASWOHTRAK-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
COCC[C@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243404680	SCPOPBAEFRMCIS-XHNCKOQMSA-N	229.085	-0.362	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccoc1B(O)O	2243407421	RLYGMQQKMHTBMF-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1C[C@@H]2C[C@H]2C1	2243409476	IQTCBXPGRYZTBV-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1csnc1B(O)O	2243411820	APZSSQRTUKEOFY-FSPLSTOPSA-N	240.093	-0.697	50	10	BBGE	
O=C(NCC1(CO)CCC1)[C@H]1C[C@@H]1B(O)O	2243427347	UCAZVYYLFMOXHD-YUMQZZPRSA-N	227.069	-0.872	50	10	BBGE	
CN1CC[C@H](N2CCC(B(O)O)CC2)C1=O	2244181200	XAVFSNHNHBBAJV-VIFPVBQESA-N	226.085	-0.844	50	10	BBGE	
CC(C)CN(C)C(=O)c1cc(B(O)O)co1	2244206396	WFDJSQRUDIRWAL-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
NN=c1cc(C(=O)NC2CC(Cl)C2)cn[nH]1	2245322236	QEFXQPRSLZIEFF-UHFFFAOYSA-N	241.682	-0.316	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCN2)ncc1Cl	2245912661	DYHCAAQAWHVKJE-LURJTMIESA-N	242.471	-0.845	50	10	BBGE	
CC1CC(C)(Cn2cc(B(O)O)cnc2=O)C1	2246522246	IFDBIKXHMVEHRF-UHFFFAOYSA-N	236.080	-0.641	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC(F)(F)C12CCC2	2247344395	GGFOHRTUPCBCGZ-ZCFIWIBFSA-N	247.245	-0.082	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247733087	MCUUGLNPAGOQRO-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]2C[C@@H]21	2247735483	ZESZZUKPVPFAEW-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)CC1	2247742469	PCUMIGNAIWRNIV-AOOOYVTPSA-N	239.080	-0.582	50	10	BBGE	
CC(C)(C)[C@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2247744300	QSVAKAPGHRAYLV-QMMMGPOBSA-N	237.064	-0.577	50	10	BBGE	
CNC1CCN(C(=O)C2(B(O)O)CCC2)CC1	2247753961	BIWOMNBAZBFPBK-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2C[C@H]2C)oc1B(O)O	2247788772	KWXLYRVRWVSHEN-HTRCEHHLSA-N	237.064	-0.346	50	10	BBGE	
N[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792689	UMMRFWYTWDAZOG-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
N#Cc1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247798981	YVAOYAAOJVIBRT-DTWKUNHWSA-N	231.020	-0.245	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247807737	RULIRTKRMBDHGT-IWSPIJDZSA-N	239.080	-0.120	50	10	BBGE	
N[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC12CC2	2247808653	VYOCABIJYWKDAL-CIUDSAMLSA-N	238.096	-0.811	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247846406	GFYBUAHMIVKLFM-SNVBAGLBSA-N	240.043	-0.731	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(CCO)CC1	2247853259	IXXHAFBJWZMIFF-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC(C)C2)n1	2247854057	WLMNRZXVAYOLJS-UHFFFAOYSA-N	234.064	-0.838	50	10	BBGE	
CC12CC(CN1C(=O)c1coc(B(O)O)c1)C2	2247867369	DDZPCKTZRWIEMT-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
COC(=O)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247879941	ZIDZAHBPSQNIGJ-SSDOTTSWSA-N	241.052	-0.985	50	10	BBGE	
C[C@@H]1OC2(CNC(=O)[C@@H]3C[C@H]3B(O)O)CC1C2	2247887489	OQXDGPSDYCXXAB-PXUIKADCSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)NC(=O)C1CC(B(O)O)C1	2247893852	ZMBUEBPERNEDCR-NHSUTOTLSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1B(O)O	2247895980	CYCKMENWUTVRDW-BDAKNGLRSA-N	235.048	-0.129	50	10	BBGE	
O=C(NC1CCC(CO)CC1)[C@H]1C[C@H]1B(O)O	2247897235	PSKDRNVWPJHZOF-HORUIINNSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1B(O)O	2247973407	UKVIRWKKFDOWMY-XVKPBYJWSA-N	234.064	-0.104	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3CC[C@@H]3C2=O)CC1	2248080701	JJCVQHCTDGEUDI-BQBZGAKWSA-N	237.259	-0.849	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C1)[C@@H]2O)C1(B(O)O)CCC1	2249571139	HAFWPENPSHWPJF-BRPSZJMVSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1COC2(COC2)C1	2249637544	UXZJSNFUPPZBMP-IUCAKERBSA-N	243.307	-0.755	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)cn1	2250007426	ZMZJMRBHZRJVPP-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
COc1cccc(CN(C)C(=O)C#CB(O)O)c1	2255468430	AMFFFDJOFDHVMO-UHFFFAOYSA-N	247.059	-0.331	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1ccc(B(O)O)o1	2255468701	FKGHHJIFEUICCT-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255469930	WLTQZHGVJQVVIL-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C1CCC1	2255492628	OAMKZZPHCAIZNI-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1cncc(B(O)O)c1	2255523210	RBUCOJUHLRHYKL-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N(C1CCC1)C1CC1	2255569586	XLTMPVICJHKHIJ-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
COc1cccc(NC(=O)C#CB(O)O)c1OC	2255669790	AVFXECJMPRJOKX-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
N#CCCN(Cc1ccco1)C(=O)C#CB(O)O	2255674652	ZNGNHZNOYWSPMX-UHFFFAOYSA-N	246.031	-0.463	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2cccc(F)c2C1	2255681887	YUDUALKOTMJHLW-UHFFFAOYSA-N	247.034	-0.274	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@H]2C[C@@H]21	2257490413	BPEJRBXMIAHHCZ-WPRPVWTQSA-N	246.075	-0.696	50	10	BBGE	
C=C(CC)CNC(=O)c1ncc(B(O)O)cc1C	2257490835	HWQXJYLWLRXIOI-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
N#CC1CCN(C(=O)c2cc(B(O)O)co2)CC1	2258128626	RDZBMBLAFLDLGS-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
N=c1cc(NC(=O)c2cocc2B(O)O)cc[nH]1	2258130219	CRAHNDYHUCMNHA-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
C=CC1CN(C(=O)c2nc(C)ccc2B(O)O)C1	2261386694	RAIRSMJYPNWIRK-UHFFFAOYSA-N	246.075	-0.672	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2CC[C@H]12)[C@@H]1C[C@H]1B(O)O	2298370189	RGEWFOLMHAAREX-CHHOWFRJSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CNCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371284	GIKWPXIWEUMOCR-UTINFBMNSA-N	240.112	-0.646	50	10	BBGE	
NNC(=O)COCCN1Cc2cccnc2C1	2300093214	DYYWWHAESFCSLQ-UHFFFAOYSA-N	236.275	-0.596	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCC(O)CC1	2300395869	GDTJXLGEEMUBAM-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
COc1nc(OCC=C(C)C)ncc1B(O)O	2300884066	NOVMDAMTILVFQZ-UHFFFAOYSA-N	238.052	-0.490	50	10	BBGE	
CC#CCN(C)c1ccc(B(O)O)cc1C#N	2301343729	OITPJLQEGZIPNO-UHFFFAOYSA-N	228.060	-0.302	50	10	BBGE	
CCC[C@@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	2303099652	QGRWVANENVUTDU-NXEZZACHSA-N	242.128	-0.160	50	10	BBGE	
CC[C@@](C)(Cn1nc(O)ccc1=O)C(=O)NN	2303438313	NXHQQSFDQROCER-JTQLQIEISA-N	240.263	-0.645	50	10	BBGE	
CCC(=O)N(C)C1CN([C@@H](C)CC(=O)NN)C1	2307296038	CXNKVPXHWFSCHB-QMMMGPOBSA-N	242.323	-0.693	50	10	BBGE	
N[C@H]1C[C@H](COc2ccc(C=O)c(B(O)O)c2)C1	2317312064	AJMWIKWDWWZBPA-CZMCAQCFSA-N	249.075	-0.705	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)C1(O)CC1	2317841779	KHJWUBPYXXPHIH-UHFFFAOYSA-N	249.075	-0.608	50	10	BBGE	
O=C1C=C(NNC(=O)c2cccnc2)CO1	51342	OWXXQLGDPYHOQT-UHFFFAOYSA-N	219.200	-0.243	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC(C)(C)O1	82470068	FWVYXOMKCSXMNV-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCCCO1	83590825	ZCYDHYQMCVGORR-RXMQYKEDSA-N	203.267	-0.580	50	10	BBGE	
CCN(CCO)[C@H](C)[C@@H](C)C(=O)NN	86313485	YSAWRNXYCCWUEH-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](CC(=O)O)C1	149147037	MRWQIUHNWGATAE-SSDOTTSWSA-N	215.253	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCN(C)C	211833605	VSEIIRJHYJPCTO-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
CCC[C@H](C(=O)NN)n1ccc(C(=O)NC)n1	211914205	LXCLUDOOKWVJIG-MRVPVSSYSA-N	239.279	-0.426	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\N(CCO)CCO	216972900	WCCZPUNVDJJKFB-KTKRTIGZSA-N	241.291	-0.793	50	10	BBGE	
CCOC(=O)c1cc(F)ncc1B(O)O	238257769	LJUHJBNBMVUNAZ-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)c1nnnn1C	307423260	PEICKSBMVSHGRI-BYPYZUCNSA-N	203.633	-0.200	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](C)OC	308478085	FNJMFHQRLCPMQO-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
CCOC(=O)NNC(=O)c1cnn(C)c1N	309284796	OHDQDKNTERXIBZ-UHFFFAOYSA-N	227.224	-0.607	50	10	BBGE	
O=C(CC1CNC1)NNc1ncccn1	309529856	CXBQAKSIWZGBON-UHFFFAOYSA-N	207.237	-0.471	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1nncn1C	310240508	BLZNFCXGLQMPSC-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@](C)(CN)C1	310297327	PEKNRCXNGUDEGS-GZMMTYOYSA-N	242.323	-0.930	50	10	BBGE	
CN(C)C=N/C(C#N)=C(\C#N)N=CNN	384198085	ZOCWWSPYBHQSIF-ZUMOUEMOSA-N	205.225	-0.673	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1cnn(C)n1	389821884	KXMHUDJNHJDCCG-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)c1ccco1	393761961	MIGDLLDMFNEOGO-ZCFIWIBFSA-N	211.221	-0.222	50	10	BBGE	
O=C(CCl)Cc1cc(B(O)O)ccc1CO	396064617	YSXYWSRRNKEYJG-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
N#CCCc1ccc(C(=O)O)cc1B(O)O	396133964	SWECHZMOZRLFSF-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
O=Cc1c(B(O)O)sc2cc(CO)ccc12	396331273	DILVANWHGNGHNE-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H]1C[C@@H](N=C=O)CN(S(=O)(=O)N(C)C)C1	398799424	AQVXGUUNOKBEDR-RKDXNWHRSA-N	247.320	-0.161	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCC[S@@](C)=O	400643163	QECXWWSEFLJTCG-DAZKTRTLSA-N	227.713	-0.265	50	10	BBGE	
C[C@H]1C[C@H](C(=O)Nc2ccccc2B(O)O)CO1	404992915	DEJAMOCXENPULJ-IUCAKERBSA-N	249.075	-0.270	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C(=O)NC1CC1	405153236	UHPRTFBCFSHAJE-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
CCCOCc1c(C(=O)NN)cnn1C	408715311	ARZSWDRJMAOCAX-UHFFFAOYSA-N	212.253	-0.050	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)CCC(=O)NN	688148299	UGFPGZBXRARVAO-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	690721323	FGEUZJFBHSGTPI-OUAUKWLOSA-N	241.335	-0.031	50	10	BBGE	
NC(=O)NNC(=O)c1n[nH]c2ccccc12	694036534	JITQIQLVUWXFFK-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
C[C@@H](Nc1nc(N)nc(CCl)n1)[C@H](O)CO	698945342	VUTOLEQSYAFTRM-RFZPGFLSSA-N	247.686	-0.654	50	10	BBGE	
CC(C)(Cn1ccnc1[N+](=O)[O-])C(=O)NN	702728186	FLHUUGGYJCBZEH-UHFFFAOYSA-N	227.224	-0.193	50	10	BBGE	
COC[C@H](S[C@H]1CCOC1)C(=O)NN	703103907	DKYZLAFWTQDUAV-BQBZGAKWSA-N	220.294	-0.487	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1CO	708125108	TVFFJEXWKDRODH-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2COC[C@@H]2C1	718251913	MXNMSYONFYPNIZ-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CN(C(=O)C(=O)NN)C1(C(F)(F)F)CC1	720377774	CQKZJQSKZVEKPQ-UHFFFAOYSA-N	225.170	-0.470	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]1OC	724139092	LAODEXYVDHPPRI-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NN	825645352	XVLHRRSMYBRBMZ-BQBZGAKWSA-N	231.321	-0.076	50	10	BBGE	
COCCS(=O)(=O)NNC(=O)OC(C)C	842587433	ACZKMEAYTYBEAR-UHFFFAOYSA-N	240.281	-0.398	50	10	BBGE	
CCC(F)(F)C(=O)NNC(=O)c1cn(C)nn1	855184019	MUHALDYBNDZHQA-UHFFFAOYSA-N	247.205	-0.379	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cn(C)cn1	872388553	JLACKZCYIPHVGK-UHFFFAOYSA-N	247.262	-0.297	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NC1CC1	900383456	UBIZJWGDMOBLFY-AIYRYJHASA-N	213.237	-0.584	50	10	BBGE	
CC(=NNC(=O)CN(C)C)c1c[nH]c(N)n1	901183223	ISEBKDKUTOAESM-UHFFFAOYSA-N	224.268	-0.606	50	10	BBGE	
CN(NC(=O)c1ccnc2[nH]cnc12)C(N)=O	1137624282	WEYMMISLSGKBNJ-UHFFFAOYSA-N	234.219	-0.387	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)Cc1nnc(N)s1	1299923888	VMILZTOTZGVGIA-RXMQYKEDSA-N	245.308	-0.993	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)c1ncccn1	1570439947	DYCKNDBLXLRWTL-ZCFIWIBFSA-N	219.204	-0.603	50	10	BBGE	
CNC(=O)NNC(=O)c1ccsn1	1625507995	WCZSWTOZOMCPOS-UHFFFAOYSA-N	200.223	-0.283	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)CCCl)C(=O)O	1866011570	RQOABGCSFFZLOT-INEUFUBQSA-N	209.629	-0.435	50	10	BBGE	
O=C(NOCCO)[C@@H]1C[C@H]1Br	1877356198	MLTRGISXBMYMIE-RFZPGFLSSA-N	224.054	-0.190	50	10	BBGE	
NC[C@H](O)CC(=O)NC[C@@H]1C[C@H]1Cl	1883563878	OLRGNJQDCHVJEJ-RRKCRQDMSA-N	206.673	-0.560	50	10	BBGE	
CC1(C)OCCO[C@H]1CNC(=O)NN	1886976071	QTYDROQLEQYJCK-LURJTMIESA-N	203.242	-0.647	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)CC(=O)NN)C1	1887045453	TXPOSYUKWNMPGA-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@](F)(C(=O)NCB(O)O)C(F)(F)F	1888949811	VVDBJBCVAXUBTH-SCSAIBSYSA-N	216.927	-0.595	50	10	BBGE	
CC(=O)NNC(=O)CN=S1(=O)CCC1	1892436910	XYCNZMRNZKBCIP-UHFFFAOYSA-N	219.266	-0.975	50	10	BBGE	
COC[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893445667	FGZFLMWRKPJGDA-PBXRRBTRSA-N	221.640	-0.171	50	10	BBGE	
CC[C@H](NC)C(=O)NN(C)S(=O)(=O)C1CC1	1901343374	XBRSWEPAUNEMRK-QMMMGPOBSA-N	249.336	-0.560	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]3C2)ncc1F	1903010834	UCBKMKYVWVBGBW-BQBZGAKWSA-N	222.028	-0.643	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]2[C@H]1CCN2C	1908658490	MAFQFDVFWRYGJG-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](Cn1c(=O)oc2cccnc21)C(=O)NN	1912214035	CVRCFMIUDULBHX-LURJTMIESA-N	236.231	-0.385	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC2(COC2)C1	1915568297	NQFQJEVTTHORMF-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
COCC1CN([C@@H](C)CCC(=O)NN)C1	1916281788	RLXNSXCAKWCMIS-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](CO)N(C)CC(F)(F)C(=O)NN	1927816838	SQMLHUZXQDEKEW-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1927914717	XIFXLRNNSDQBPW-HLTSFMKQSA-N	210.281	-0.296	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COC[C@H]1Cl	1928687397	SHXFCYHCUHRLSB-RNFRBKRXSA-N	230.655	-0.600	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CCC[C@@H]1Cl	1928695535	CVPOEBSJLNAYHJ-NKWVEPMBSA-N	229.671	-0.051	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC(F)(F)C1	1932126759	MOCAOJPGFHJYDW-ZCFIWIBFSA-N	223.223	-0.320	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C(=O)NN)[C@H]1C	1934291713	NQCYTFIATMCDEY-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@]12CCOC2	1935064923	MRSHGJYYFKDMMI-SVGQVSJJSA-N	215.278	-0.723	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@H]1C[C@@H]1C(=O)NN)C2	1936086389	UYLKWWDYEBUTHC-HJGDQZAQSA-N	225.292	-0.524	50	10	BBGE	
COCCOCCOC[C@H]1C[C@@H]1C(=O)NN	1936093334	DADAGHMIYPYDAK-BDAKNGLRSA-N	232.280	-0.708	50	10	BBGE	
COCC[C@@H](CCl)NC(=O)Cn1cnnn1	1937160558	WWNWZKBVDCLZLI-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
C[C@]1(CO)CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941085522	DJMHYEHNXRZHIT-NHCYSSNCSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941093803	SXEMZBAGZQWMOM-DVVUODLYSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2(CCO2)CC1	1950986995	XIZMKRBQLGGDLN-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
O=C(N[C@H]1CCOC1)N1CC[C@@H](B(O)O)C1	1951322113	UIXGRGFZZKIISE-SFYZADRCSA-N	228.057	-0.966	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CONC1=O	1954507994	UAHMCKRYLLWJIB-CRCLSJGQSA-N	206.629	-0.450	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955547281	NEUSUARMBVJHRE-NXRLNHOXSA-N	216.668	-0.457	50	10	BBGE	
CCS(=O)(=O)NC1CN(C(=O)CCl)C1	1956337000	KNANIDJXFWHUGW-UHFFFAOYSA-N	240.712	-0.625	50	10	BBGE	
OB(O)c1cnccc1N1CC(CF)C1	1961679273	MTRZZZIIHMWMQI-UHFFFAOYSA-N	210.017	-0.833	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)N1CCC(B(O)O)CC1	1971371970	AYVYWYICKIUZEF-PSASIEDQSA-N	241.096	-0.123	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2nccn2c1	1976508701	GCSDGJJLYNKTAS-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C1)CN2C)C(=O)NN	1976820295	IDMTXRQOIZHPJC-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCO)[C@H]1C[C@H]1C	1979614826	AETMEWYRWKDQOS-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2C[C@@H]3O)CC1	1981217058	PRRAXQMTRZFTMY-VGMNWLOBSA-N	225.292	-0.788	50	10	BBGE	
C[C@]1(CO)CCN1CCC(F)(F)C(=O)NN	1984127906	GNKULJPHOOROLZ-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@H]1C1CC1	1987390464	CKBNPLSJUDHSKX-POZPLHJXSA-N	227.308	-0.400	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H](F)C1	1988001693	MKRHEQDXISFBHW-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CCO1	1990773883	BAKMLJQQVPYFKJ-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
C=C(CN(C)Cc1ncnn1CC)B(O)O	1992145639	HLRDYEUOZRTOJK-UHFFFAOYSA-N	224.073	-0.702	50	10	BBGE	
C#CCN1CC[C@@H](N2CC(=O)OC(=O)C2)C1	1994243164	MZSOFAZQDDFDCP-SECBINFHSA-N	222.244	-0.921	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cncc(C(=O)NN)c1	1996573499	AWWHYRPRGBDNBW-SSDOTTSWSA-N	234.259	-0.194	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868419	OWOYYRNZALESFR-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@H](C(=O)NN)C(C)C)C1	2002123042	SEWCTPJYKGCCJF-GUBZILKMSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CN1CCO[C@@]2(CCOC2)C1)C(=O)NN	2002821797	DRWKRGLTAAOXIT-KOLCDFICSA-N	243.307	-0.896	50	10	BBGE	
CCCN(C[C@H](C)C(=O)NN)[C@@H]1CCNC1=O	2004315181	XBCAPXTUYMTVHM-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
Cc1ccn(-c2nc(C)nc(C)c2B(O)O)n1	2005006040	ZIYRCWYGGVRCAM-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1cc(N2CC(C3CC3)C2)ncc1B(O)O	2005017485	FXYPFXSKZBBAAA-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H](F)C2)n1	2005018354	SEGAYCRHRINNIM-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
CN(C1CC1)C1CN(CCCCC(=O)NN)C1	2005176325	CJMKXIGKGBWKNU-UHFFFAOYSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@H]2CO)n1	2007495531	JQIDHVWIESSGQW-ZETCQYMHSA-N	238.247	-0.989	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@]1(O)CCOC1	2013284964	TZXVFRPQHNVJDZ-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@]2(CC[C@@H]2O)C1	2013328935	MUAURGHQGRFBPW-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
COC(=O)NCC1CN([C@H](C)CC(=O)NN)C1	2014046713	RFFSOYRPSSJBGY-SSDOTTSWSA-N	244.295	-0.957	50	10	BBGE	
CCCOC(=O)Nc1ncc(B(O)O)c(C)n1	2015730030	GJKZJMIBUYWOKI-UHFFFAOYSA-N	239.040	-0.577	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@]2(CO)C1	2021658371	ZXLBQASYOQUFJO-VXNVDRBHSA-N	249.261	-0.684	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC(CF)C3)(C1)C2	2023855334	XRXDDCKSRUEKHO-XYPYZODXSA-N	243.282	-0.573	50	10	BBGE	
OB(O)c1cccnc1N1CC(N2CCCC2)C1	2052492132	QFTQXFHBUHGVOL-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@]32C)ncc1B(O)O	2052556968	PZKYHELDVRORAT-JOYOIKCWSA-N	247.107	-0.156	50	10	BBGE	
CCc1c(C=O)cc(B(O)O)cc1[N+](=O)[O-]	2060036909	RNQWYCAQMPIIAR-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ccccc1B(O)O	2079009023	OIUMISHSYOHWIE-VIFPVBQESA-N	246.075	-0.212	50	10	BBGE	
COc1cc(B(O)O)c(F)c(C=O)c1OC	2080829256	KIFTUZDFUSHSNA-UHFFFAOYSA-N	227.984	-0.665	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H](F)C[C@@H](O)C1	2210693707	NUTBTEFKJVMWSC-MAUMQABQSA-N	231.271	-0.983	50	10	BBGE	
COCCCN(C)C[C@H]1CC[C@H]1C(=O)NN	2211828388	YLVCHMKYCAJUJE-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC[C@H]1CO	2211839494	VKHKSMHQLFUCMP-UTLUCORTSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@@H]32)c1	2212611334	ZINWYGTZWCMIMP-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1ccc(NCc2ccno2)nc1	2212612579	MFHOMLHUPDNCCM-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CP(C)(=O)COc1nccc(B(O)O)c1F	2212613541	OIFKAPMUMREKDC-UHFFFAOYSA-N	246.971	-0.141	50	10	BBGE	
CCNCCCNc1ncccc1B(O)O	2212615226	LTUMAHMSCNDLHN-UHFFFAOYSA-N	223.085	-0.827	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(CCCO)C1	2216752012	PMWUSPFFZUQEIN-QWRGUYRKSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H](N)CCCOc1ncccc1B(O)O	2217184069	QEKRZOPZSNRWTF-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCNC12CC2	2217200474	KMOLIFMXROFVMA-SECBINFHSA-N	233.080	-0.932	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCC[C@@H]1O	2217205395	YJJPOTJHWGEIJK-ZJUUUORDSA-N	236.080	-0.523	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1C[C@H]2CC[C@H]1O2	2220795849	OIFHSKKHFDKECH-GMTAPVOTSA-N	248.091	-0.483	50	10	BBGE	
N#Cc1ncn(C[C@@H]2CC[C@@H]2C(=O)NN)c1C#N	2221567165	NGZGVIKOJCPEJL-YUMQZZPRSA-N	244.258	-0.357	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNCC3(CC3)C2)nc1	2223630565	MMUSXBHDKCAEMU-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
CCn1cc(CNc2cc(B(O)O)ccn2)cn1	2223639387	DAWLCEFZXOKHEW-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
N#CC[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2223647892	DTXVHTJEGNRUMB-QMMMGPOBSA-N	249.054	-0.360	50	10	BBGE	
O=C1CCCN1S(=O)(=O)N1CC(Cl)C1	2241353657	KKPLTTFMEOQJJR-UHFFFAOYSA-N	238.696	-0.223	50	10	BBGE	
O=C(NCc1ccccc1)c1n[nH]cc1B(O)O	2241474426	CRSNKMHXSZQSFK-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CN(Cc1nncs1)CC1(C(=O)NN)CC1	2243285983	URHSLLDEPVDXHW-UHFFFAOYSA-N	241.320	-0.260	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1csnc1B(O)O	2243377988	KUDULEVEMREONK-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1cc(B(O)O)cs1	2243385606	LNGJOLOFXKFJJI-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1coc(B(O)O)c1	2243399150	XQCAIIZZHOLXNK-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
CCC[C@]1(NC(=O)C#CB(O)O)CCOC1	2243400112	WASNAHYHJWSEDK-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
O=C(NOCC1CC1)c1ccc(B(O)O)s1	2243408763	URHIVTADJASMDB-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C[C@@H]1C[C@@H]1C)B(O)O	2243412002	DTUSXAXEIDKEHS-CBAPKCEASA-N	247.125	-0.528	50	10	BBGE	
N[C@@H](B(O)O)c1ccc(-n2ccnc2)cc1	2243553888	DSTVKFPSMGLXOR-SNVBAGLBSA-N	217.037	-0.116	50	10	BBGE	
COCCOCc1cccc(B(O)O)c1C	2243576229	SGHHDAVDNFOPSD-UHFFFAOYSA-N	224.065	-0.162	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)c(F)cc1C	2244192500	KUMRFHUCIUOBJQ-UHFFFAOYSA-N	225.028	-0.436	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@]2(O)C[C@@H]2C1	2246743040	MJHYASQBTCFVKD-DNRKLUKYSA-N	239.319	-0.541	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H](F)[C@@H](F)C1	2247721615	GZDXFESFCKISET-BQBZGAKWSA-N	244.990	-0.909	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]1CF	2247741480	APWBGVDVDLDJCG-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNC(=O)C1(B(O)O)CCC1	2247753020	AEVYEOWLFQYFQI-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
O=C(N1CC(F)(F)C[C@H]1CO)C1(B(O)O)CC1	2247756487	NHICJLKQQJAOLL-LURJTMIESA-N	249.022	-0.778	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247758989	XZYYQXVHRLPHTD-DTWKUNHWSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC1(C2CNC2)CC1)[C@H]1C[C@@H](B(O)O)C1	2247786835	HDAHLSOMQFCZOA-OTSSQURYSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)OCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247797016	FOBMMFULBZJJAP-AMDVSUOASA-N	241.096	-0.077	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](CN2)C1	2247798109	QDTIREUHUXRBLN-WOOKNIGNSA-N	238.096	-0.940	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCNCC1	2247806808	GIGCEOGWZNNMCO-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)O1	2247806832	GMKBFNNIKKLDMS-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCNC1	2247806978	PKVGBGLQGUYRQB-FXPVBKGRSA-N	240.112	-0.645	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1CC1(C)C	2247846769	MADXLFODXKPCKA-MRVPVSSYSA-N	237.064	-0.170	50	10	BBGE	
CON(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCOC1	2247855476	SRIDAMKCJHGQPM-YIZRAAEISA-N	243.068	-0.582	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C(=O)C2(B(O)O)CCC2)C1	2247877882	FWYBPBBVXOALEV-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@@]12CNC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247879450	VLDCWYIDTYQKEY-SCZZXKLOSA-N	238.096	-0.939	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)O2)[C@H]1C[C@@H]1B(O)O	2247886478	BWFPEKAENOSSKN-SVSWQMSJSA-N	239.080	-0.325	50	10	BBGE	
CC(C)(N)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896250	FMYGGDFSZICLJE-KYZUINATSA-N	242.128	-0.127	50	10	BBGE	
NCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899173	LCEZXDIEKGMSIH-AEJSXWLSSA-N	240.112	-0.563	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)C1CC(B(O)O)C1	2247904301	PMPOAFAMHRINAE-UEJVZZJDSA-N	243.112	-0.237	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C=CCC1	2248396789	DTWWDRRXGXFCBT-QMMMGPOBSA-N	232.048	-0.334	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2cc(B(O)O)co2)C1	2249427597	ISPAELDCONPSBT-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCCN1	2249940484	KBSBWYJEQVAYEZ-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1cocc1B(O)O	2250890193	CVYHZRUMYABBDR-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CC[C@H]2C3)n1	2254702596	YFHFJPCFKMRZMD-IUCAKERBSA-N	248.091	-0.241	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C[C@]2(C)C1	2255444156	IPLPEVZUTKGOCU-PRHODGIISA-N	249.075	-0.250	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H](C)CC#N)c1	2255512731	FBHPUIWXVSWRSW-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1c[nH]nc1B(O)O	2255548532	MOGVXRZITQELGP-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1c[nH]nc1B(O)O	2255554128	IMVDGJBCBPKIEE-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H](CO)c1ccccc1)[C@H]1C[C@H]1B(O)O	2255569700	YLAMOEUECHILBR-AXFHLTTASA-N	249.075	-0.301	50	10	BBGE	
O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)[C@H]1C[C@H]1B(O)O	2255571349	OICLXVTYAXEHHK-UYXSQOIJSA-N	249.079	-0.365	50	10	BBGE	
NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2255571610	QGJHLPCTRYSTKY-IUCAKERBSA-N	248.047	-0.413	50	10	BBGE	
CC1=CC[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)CC1	2255669182	KTCAYWXGNIPBJY-SNVBAGLBSA-N	248.091	-0.077	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@H]1CCO1	2255682036	ATZNUWGWOUZCQX-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NOCC2CC2)c1	2255694025	WDLLXLRDPCIQDV-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1c[nH]nc1B(O)O	2255789609	JTOJGDXEZAOGMB-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255952619	WEVPIBYXDOIEAG-SFYZADRCSA-N	249.075	-0.542	50	10	BBGE	
C[C@H](N)[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301422516	IHZWTUIMVSFINX-JGVFFNPUSA-N	236.080	-0.674	50	10	BBGE	
CCO[C@@]1(CN2CC[C@H](B(O)O)C2)CCOC1	2303096406	FGGMRQBHTPXKIF-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
CC(C)[C@@H](CN)Nc1cc(B(O)O)c(F)cn1	2303834668	JVEXLJWMNKMNMA-SECBINFHSA-N	241.075	-0.704	50	10	BBGE	
Cc1cc(Oc2cc(B(O)O)c(F)cn2)n[nH]1	2303851852	GVLOHLFGHYAWGI-UHFFFAOYSA-N	236.999	-0.276	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C[C@@H]1C[C@@H]1C(=O)NN	2304250500	DVPCGFZPANSXRB-NAKRPEOUSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]3NCC[C@H]23)c1	2312614397	LQFABEIKOZKXFR-IEBDPFPHSA-N	247.107	-0.829	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2312848504	IAZQZOXPFYOFJP-DTWKUNHWSA-N	244.059	-0.838	50	10	BBGE	
OB(O)c1cnccc1N1Cc2cccnc2C1	2315387083	ONJJSFQLEBEMOB-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCN[C@H]3C[C@@H]32)CC1	2320722279	VVAFBLVGDMGXKZ-MXWKQRLJSA-N	249.314	-0.139	50	10	BBGE	
C#C[C@@H]1CCCN(c2cc(B(O)O)c(F)cn2)C1	2320795631	WSLRBWSIESNSSI-SECBINFHSA-N	248.066	-0.250	50	10	BBGE	
COc1ccc(CN(C)C(=O)C#CB(O)O)nc1	2327408848	GKOQXIYHRRTGPS-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
NCCC(=O)NNC(=O)CCc1ccco1	49819958	VYHNDCJMPGMTDL-UHFFFAOYSA-N	225.248	-0.292	50	10	BBGE	
CC(=O)NNC(=O)CN(CCCO)C(C)C	50105870	DKPYGWUOVKJDNK-UHFFFAOYSA-N	231.296	-0.754	50	10	BBGE	
CCOC(=O)N1CCN(CCC(=O)NN)CC1	58845183	RZVWFQJFLULBCR-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CCOCC1	82467956	BOIJMZMSMQZDRI-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](N(C)C)C1	84420995	AZYBFILEFNAARM-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](Sc1nncn1N)[C@@H](C)C(=O)NN	86314053	KICQZXRWMQGOFM-UHNVWZDZSA-N	230.297	-0.902	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](CCO)C1	159982401	OYKQSPDNSKTLKW-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
Cn1cc(COc2ccc(B(O)O)cc2)cn1	197957837	NXOWRYRFRSHQHR-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](CCC)C(=O)NN	212038644	VGYWDSPPFORAIE-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
NNC(=O)CN1CCC[C@H](CCO)C1	227444324	MSTWPQJQUZJUIA-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](OC)C1	232420903	CPGGRTHQPOKNLZ-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H](C)C(N)=O	235442621	ZGANFLBQALQWRV-IUYQGCFVSA-N	223.070	-0.240	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H]1C(=O)NC	251234274	RHFGVCCETQLTMC-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)NCCc1ccc2c(c1)CC(=O)N2	258713385	IBRRFABVTPUTCV-UHFFFAOYSA-N	234.259	-0.103	50	10	BBGE	
COC[C@H](CNS(=O)(=O)CCCl)OC	300391464	XSEWQOTVRNRNBB-ZETCQYMHSA-N	245.728	-0.194	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CC[C@@H]1O	306672105	ZYMRQEKWVBIGHT-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
C#CCNCC(=O)NNC(=O)c1cccs1	309483827	FNUMVAOQMNFMDR-UHFFFAOYSA-N	237.284	-0.268	50	10	BBGE	
Nc1ccc(B(O)O)cc1C1CCNCC1	309553599	LKBHGZDHKWTUKC-UHFFFAOYSA-N	220.081	-0.584	50	10	BBGE	
NC[C@@H]1CCCn2ncc(C(=O)NN)c21	309651493	XYNVHBBJUDJABL-LURJTMIESA-N	209.253	-0.677	50	10	BBGE	
COC1CN(Cc2ccc(B(O)O)cc2F)C1	310321512	UXJGTTFAWIEACG-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)CCC(N)=O	381928715	ULYNNDBTKOAABW-RXMQYKEDSA-N	235.671	-0.343	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1nncn1C	383461867	MRBIYQRZWSJNDL-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
COC(=O)CN(C)C[C@H](Cl)C(=O)OC	388754099	YEPZQAAQSXOKFU-LURJTMIESA-N	223.656	-0.128	50	10	BBGE	
Cc1n[nH]c(=N)n(NC(=O)CCCCl)c1=O	390169584	GKNNZLVLZDJHGE-UHFFFAOYSA-N	245.670	-0.552	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN([C@@H](C)C(=O)NN)[C@@H]1[C@H]3C2	394359380	ALCPISYDTNFLJQ-ALMWHKAHSA-N	239.319	-0.280	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(CO)C1	394574365	UZUYTWBAQLBOGB-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](N2CCCC2)C1	394682341	YVUDWQSTRSBFEQ-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)CC[C@@H]1O	396866823	YPSKZXNJERLRBQ-BQBZGAKWSA-N	247.682	-0.012	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)CCC(=O)NN)CO1	401590078	WBSTYGZRJUOGHP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
COCC(=O)Nc1ccc(B(O)O)c(C)c1	404980649	NVQYUPYINWVVFF-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
CCCC(=S)O[C@@H]1C(=O)OC(=O)[C@@H]1O	585664081	RASSKBLHKOKYLO-RITPCOANSA-N	218.230	-0.057	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C(F)F)CC1	686833832	FRODZLQHCWKMJI-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
CN1C[C@H](CNS(=O)(=O)CCl)CC1=O	687825891	HTKPOEVLZIGTIZ-LURJTMIESA-N	240.712	-0.420	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)Cc1ccccc1B(O)O	688223546	PRILOWLWSAATKV-GXFFZTMASA-N	249.119	-0.167	50	10	BBGE	
NNC(=O)CN(CC(F)F)CC1CC1	689026634	YLWHRHKFSIDJFB-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CCn1nnnc1CN[C@H]1COC[C@H]1Cl	697735586	VKFZBFSZEUMNTA-RQJHMYQMSA-N	231.687	-0.211	50	10	BBGE	
CCC(O)(CC)CN(C)[C@H](C)C(=O)NN	706398569	SLDUHKZZKGXCRX-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1CCOC[C@@H]1Cl	706685138	LELQZCGUDRKJGW-BQBZGAKWSA-N	242.728	-0.221	50	10	BBGE	
CCC1(O)CCN(CCCC(=O)NN)CC1	707247361	OIQPLEUIMKTLCN-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1CO	708079246	FGRSCUDDHCBHRC-HLTSFMKQSA-N	215.297	-0.827	50	10	BBGE	
CNC(=O)CS[C@H](CC(C)C)C(=O)NN	710062623	FAQUPFRRHGNTFD-SSDOTTSWSA-N	233.337	-0.130	50	10	BBGE	
C[C@H](O)CN(C)Cc1cnc(C(=O)NN)s1	711157006	BAZRHQIWTITRGW-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2COC[C@H]2C1	718187533	WZRANKPUXGQPNJ-VXGBXAGGSA-N	247.103	-0.555	50	10	BBGE	
Cc1cc(Cn2ccc(B(O)O)n2)c(C)nn1	720589888	CPQYSEQZROVQAY-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
COC(=O)c1coc(C(=O)NN(C)C(N)=O)c1	760009817	LBBMWBAGYDQFBQ-UHFFFAOYSA-N	241.203	-0.279	50	10	BBGE	
Cn1nccc1CC(=O)NNC(=O)c1ccc[nH]1	767460544	FAZAFYWRHNDLIG-UHFFFAOYSA-N	247.258	-0.248	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)[C@H](C)CC#N)n[nH]1	1143273277	UCHXKIBYDNODDL-SSDOTTSWSA-N	249.274	-0.042	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cccc(B(O)O)c1	1294989291	QNURYCFJNLYPHQ-MRVPVSSYSA-N	219.049	-0.329	50	10	BBGE	
CNC(=O)CCCCC(=O)NNc1nc[nH]n1	1306852449	ACHJXJGPUCAOFC-UHFFFAOYSA-N	240.267	-0.446	50	10	BBGE	
COC[C@@H](C)NC(=O)NNC(=O)c1ncon1	1680511820	OWEFDHZLEHASND-RXMQYKEDSA-N	243.223	-0.952	50	10	BBGE	
NCc1nnnn1C[C@H]1C[C@@H]1Br	1881372978	ITUQAMUAMTZQRG-UHNVWZDZSA-N	232.085	-0.085	50	10	BBGE	
O=C(Cn1cnnn1)NCC=CCCl	1884812451	JVKZLULEZXLSRN-UHFFFAOYSA-N	215.644	-0.416	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@@]2(CCOC2)C1	1885212367	QKXJVQWXMHHVKI-SVRRBLITSA-N	201.226	-0.893	50	10	BBGE	
O=C(F)NC[C@@]1(O)CCCS(=O)(=O)C1	1891538006	LMLIKHOJGSKDAX-ZETCQYMHSA-N	225.241	-0.395	50	10	BBGE	
NCC[C@H](O)C(=O)NCC1CC(Cl)C1	1893509101	IWNVXPSAEOBRPK-RRQHEKLDSA-N	220.700	-0.170	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc(Cl)cnc1=O	1893840558	XAFYJJKXYXVNBZ-YFKPBYRVSA-N	230.655	-0.162	50	10	BBGE	
CC[C@H](COC)N(C)C[C@@H]1C[C@H]1C(=O)NN	1894740111	FKKBXLREMKULSH-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2OCC[C@@H]2C1=O	1895086620	FXZUGQDYVVTVLF-GJMOJQLCSA-N	227.264	-0.998	50	10	BBGE	
C[C@H](N)C#CC(=O)N1CCC(O)(C#N)CC1	1902014773	SDYHUDVBTOLURE-VIFPVBQESA-N	221.260	-0.786	50	10	BBGE	
CC[C@@](C)(CSc1nc(=N)[nH][nH]1)C(=O)NN	1902707975	FOGYFHFSPABSAF-QMMMGPOBSA-N	244.324	-0.284	50	10	BBGE	
CC[C@]1(C)NC(=O)N([C@H](C)CC(=O)NN)C1=O	1905535035	QBTFZIPZIMLTTQ-LDWIPMOCSA-N	242.279	-0.525	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@@H]3C2)c(F)c1	1907080185	MJMZLPVJXYSYLC-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
CC1(C)CC(=O)N1C[C@@H]1CC[C@H](C(=O)NN)O1	1908717914	BKWCUKPCXLRYLF-JGVFFNPUSA-N	241.291	-0.465	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NCC=CCO)[nH]1	1911769856	GLISVXMGCVOMQG-ZCFIWIBFSA-N	243.698	-0.034	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC1(O)CCC1	1914571959	QFEMHHAUJRJYPM-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)C1COC1	1923191129	RESVPQPLHCELBQ-MRVPVSSYSA-N	232.261	-0.527	50	10	BBGE	
C=C(CCl)CN1CCOC[C@@H]1[C@H](O)CO	1928574224	TUCPNOYUISUHTB-NXEZZACHSA-N	235.711	-0.165	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC(=O)CCCl)C1	1928757123	AGRGMDOEKZADQS-BQBZGAKWSA-N	206.673	-0.594	50	10	BBGE	
CN1C[C@H](Cl)[C@H](N=c2nc[nH]n2C)C1	1930292485	AIXZBMQRYPPCKS-NKWVEPMBSA-N	215.688	-0.430	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CNC(=O)C2)C1=O	1931734571	DRBNGIHJHHAFRH-RCOVLWMOSA-N	216.668	-0.038	50	10	BBGE	
O=S1(=O)C[C@H](C2CNC2)[C@@H](Cl)C1	1934444661	UWIZTVIZZUZCEQ-RQJHMYQMSA-N	209.698	-0.142	50	10	BBGE	
N#CCCN(CCOCC(=O)NN)C1CC1	1936527108	SHRIMLBREIDTCJ-UHFFFAOYSA-N	226.280	-0.629	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CC1	1938230788	MWSBFZHINRDKGQ-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2OCC[C@@H]2C1	1938636360	MKCHXMBZCKZGEN-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1COCCCO1	1939091722	HNBDEZUGBVHBDQ-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1939968333	YZVPFYIQYDIAEJ-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cncc(C(=O)NN)c1	1940581312	JRNCWXNFDUXXIX-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H](C2CC2)C1	1941085343	CWRJKGOGRYZMBG-AXFHLTTASA-N	239.319	-0.277	50	10	BBGE	
COCCN(CCC#N)C[C@H]1C[C@@H]1C(=O)NN	1941087078	LMZPWCXVWBVICM-ZJUUUORDSA-N	240.307	-0.526	50	10	BBGE	
NNC(=O)COCCN1CCOC[C@H]1C1CC1	1941779790	HXCYEOBECXPFRW-JTQLQIEISA-N	243.307	-0.896	50	10	BBGE	
CN1CCCN(CC2(C(=O)NN)CC2)CCC1	1947185386	IBQVIXUAXLIACJ-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
NC(=O)[C@H]1CCN1CCBr	1953190793	KWUOYZIWAHDZII-RXMQYKEDSA-N	207.071	-0.059	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@H]1CN	1954211910	KLZSNWURPYCBMA-HTQZYQBOSA-N	203.673	-0.223	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)[C@@H]2C[C@@H]21	1956634851	QRNSARNXDOWKOU-JGVFFNPUSA-N	238.740	-0.057	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	1961406521	LPICZJIZANBUQN-KHQFGBGNSA-N	213.281	-0.788	50	10	BBGE	
C#CC#CCN1[C@H]2CC[C@H]1C(=O)OC2=O	1962059424	WWFLBPLEEXLMMS-IUCAKERBSA-N	203.197	-0.461	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1976086238	BNJOZHZKUBMQDJ-AEJSXWLSSA-N	226.324	-0.609	50	10	BBGE	
CC(C)SCC(=O)N[C@@H](CB(O)O)C(=O)O	1976981867	LQVYBWNFERDDHU-LURJTMIESA-N	249.097	-0.830	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@@H]2C1	1981471399	JALOAZCJBMJKMV-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
C[C@@]1(C(F)F)CC(=O)N(CCC(=O)NN)C1	1982227877	FSPDEDGFGRFJQE-SECBINFHSA-N	235.234	-0.130	50	10	BBGE	
O=c1ccc(B(O)O)cn1COC1CCC1	1984102159	RJKVJTAYMZOIGM-UHFFFAOYSA-N	223.037	-0.945	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)C12CC2	1988762863	XJGADMPJZXCHDA-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cocn1	1991326798	KRWITZBXLVFTND-SSDOTTSWSA-N	222.009	-0.495	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)C[C@@H]1CO	1991663237	SJTCHQSPLCYBCS-MRVPVSSYSA-N	246.694	-0.557	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1[C@H]2COC[C@H]1C2	1992314730	CKPCENRZNDRDRX-BBBLOLIVSA-N	227.308	-0.136	50	10	BBGE	
CSCCNC(=O)c1ccccc1B(O)O	1992836188	KBLGGFRIDQPMFS-UHFFFAOYSA-N	239.105	-0.541	50	10	BBGE	
CCCC[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1998132755	JQICZBQNCBJPHM-JGVFFNPUSA-N	245.084	-0.145	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cccn1C	2004189537	ZKJPOYCQIZFOOA-SNVBAGLBSA-N	240.307	-0.538	50	10	BBGE	
COC[C@H]1CC[C@@H](Cn2ccc(B(O)O)n2)C1	2010882869	ZSFYUPGAUFGXPD-ZJUUUORDSA-N	238.096	-0.374	50	10	BBGE	
NNC(=O)COCCOCCOCCC1CC1	2012316871	RSTCBMFOWVUIAI-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
COCCOCCCN(C)C[C@@H](C)C(=O)NN	2013418017	PGDVLSATQQWUDH-SNVBAGLBSA-N	247.339	-0.403	50	10	BBGE	
C[C@H](F)CN1CCN([C@H](C)CC(=O)NN)CC1	2015816961	PEFHSCJQUJZRIP-VHSXEESVSA-N	246.330	-0.270	50	10	BBGE	
OB(O)c1cnn(Cc2ccnn2C2CC2)c1	2018388820	HHNVNACCDIWXGD-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCN1C	2019219645	OYAREHQGYLXXHT-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
Cc1ncnc(CN(C)CCC(=O)NN)c1C	2025895351	JUZSYXUCPSUCII-UHFFFAOYSA-N	237.307	-0.095	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1CC=CCC1	2058204998	JCWMUAILCAZTJL-UHFFFAOYSA-N	247.063	-0.445	50	10	BBGE	
N#Cc1cc(B(O)O)c(F)c([N+](=O)[O-])c1	2060186027	DPQJHOLPURJQHQ-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1ccc(C=O)c([N+](=O)[O-])c1B(O)O	2060281250	JDBGSIAGQXYJOF-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2cccc(B(O)O)c2)[C@H]1C	2079008043	DEEREOKJCZZBGO-IUCAKERBSA-N	247.103	-0.002	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)c1ccccc1B(O)O	2079010385	ZJYBMLFKWFCFPU-LDYMZIIASA-N	249.075	-0.869	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)c1ncnc(C)c1B(O)O	2079404554	MKBAQLGAXBVQJY-ZJUUUORDSA-N	249.123	-0.053	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)nn1	2208732582	WPKWSHABZBTYCG-QMMMGPOBSA-N	235.052	-0.526	50	10	BBGE	
CCn1nc(Br)cc1B(O)O	2208929726	HAEFMFRVUOXMND-UHFFFAOYSA-N	218.847	-0.655	50	10	BBGE	
CC(C)[C@@H](OC[C@H]1CCN(C)C1)C(=O)NN	2211765137	NCBWXWJYQUCFAR-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)c1cnn(C)c1	2215770195	ALARVHTWQGDRNR-PSASIEDQSA-N	237.307	-0.128	50	10	BBGE	
COCC(COC)OC[C@@H]1CC[C@H]1C(=O)NN	2215776564	NNBQWXBJOVQYNS-WCBMZHEXSA-N	246.307	-0.320	50	10	BBGE	
CC[C@@H](N)CN(C)c1cc(B(O)O)c(C)cn1	2217180918	LVYFRUIGILMCGO-SECBINFHSA-N	237.112	-0.757	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1c1cc(B(O)O)ccn1	2217201278	OZWDDQRTQHIMLA-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
OCCCN(c1ncccc1B(O)O)C1CC1	2217201724	FMDZDJXMNWWPSW-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
Cc1ocnc1CNc1ncccc1B(O)O	2217203693	ZAMKMQDGVKZOKC-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)c1cc(B(O)O)ccn1	2223625151	CSFNMGDULFOHPL-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1F	2223640898	NREJKSNXWXAVIF-LGPRWUOZSA-N	248.066	-0.033	50	10	BBGE	
N#CCCN(CC1CC1)c1ccc(B(O)O)cn1	2223677682	RALXKKMAARXTMY-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nncs1	2241471452	UVAIPJQWEAMVGU-RXMQYKEDSA-N	215.282	-0.652	50	10	BBGE	
CCNC(=O)c1sc(C)cc1B(O)O	2241479393	XGGIYZXHINCMKE-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
CCCCN(C)C(=O)c1coc(B(O)O)c1	2243348545	ZIOSCVRFXDCQMG-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
N#C[C@H]1CCCC[C@@H]1NC(=O)C#CB(O)O	2243362395	QIAHDJMRQRSEIS-BDAKNGLRSA-N	220.037	-0.800	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)o1	2243403636	AMEQGRYDJULQGZ-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1sccc1B(O)O	2243404481	OWXCQQKJGPHZFN-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2243404494	PBTNNNLFAUHXFO-OKNNCHMLSA-N	225.053	-0.857	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](C)O	2243414968	LSZKNBIXAKPGJI-MAUMQABQSA-N	229.085	-0.485	50	10	BBGE	
Cc1sc(C(=O)N2CC(C)C2)cc1B(O)O	2243417080	PVLTVWLTHMCTDV-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CSC1	2243419809	HDYYCNGZRQXDLK-IUCAKERBSA-N	239.105	-0.574	50	10	BBGE	
C[C@]1(F)C[C@H](C(=O)NCCC#CB(O)O)C1	2244552113	PSUBQEUXPHMLEU-CZMCAQCFSA-N	227.044	-0.354	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCC[C@H]1C(=O)O	2245253415	IFRAQZPDTUEUEC-NKWVEPMBSA-N	229.041	-0.994	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1ccoc1B(O)O	2247740638	NLLTYHMSSAVLLA-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2247757247	PWLYYRXLZVVBIF-BDAKNGLRSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@H]1CCCCO1)[C@H]1C[C@@H](B(O)O)C1	2247787442	PDHRFAACXIWSIQ-KXUCPTDWSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CN1	2247791205	LQZFCDJKOLABAN-CIUDSAMLSA-N	240.112	-0.504	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2COC[C@H]21	2247799685	GWMPMNZKEDVXAO-AATLWQCWSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](C1CC1)N(CCC#N)C(=O)C#CB(O)O	2247849666	CYLODRJVELPCGA-SECBINFHSA-N	234.064	-0.457	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1ccoc1B(O)O	2247866834	TVWGPNSJTQYGGN-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(NC[C@]12CC[C@@H]1CNC2)C1(B(O)O)CC1	2247873605	KIEIPPSXJRUIKO-PSASIEDQSA-N	238.096	-0.891	50	10	BBGE	
O=C(N1CCN2CCC1CC2)C1(B(O)O)CC1	2247875332	WAYAIRAHJVSYLL-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247893198	NWSALMZFNYQOAX-AXTSPUMRSA-N	240.112	-0.504	50	10	BBGE	
CCC(O)(CC)CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247896040	DFTCJTBZXACKJB-RKDXNWHRSA-N	243.112	-0.141	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2247896637	IJCOMFXKWFJJNS-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCCCc1ncc[nH]1)[C@H]1C[C@@H]1B(O)O	2247897686	WBXFQIXAGKPMIT-YUMQZZPRSA-N	237.068	-0.679	50	10	BBGE	
NC[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247905388	USYKEVMFDBMHMX-AUXWQGHOSA-N	240.112	-0.517	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248574812	VELBVKOVOSRRIQ-FXQIFTODSA-N	243.068	-0.391	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cocc1B(O)O	2249415212	BBILOQNWBFQBHP-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
CC#CCCCNC(=O)c1cc(B(O)O)co1	2249419006	BNXCDBQVXSAHTR-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2250593283	JYLZLKSGPLQKIU-GUBZILKMSA-N	243.112	-0.285	50	10	BBGE	
CCC1(OCc2nc(C(=O)NN)co2)COC1	2250811102	FJNJXOWCBVZGNZ-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)[C@@H]1C[C@H]1B(O)O	2251689630	HXWQJNHILGDWTH-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C(=O)[C@@H]2CCC[C@@H]21	2255466467	ZCKLXISVXONLGP-RQJHMYQMSA-N	249.031	-0.890	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CCCC[C@@H]21	2255472572	GPSXGDHJFGUONY-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1ccoc1B(O)O	2255717438	KHMIJJCEMXGRBF-NXEZZACHSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	2255731939	NQZLNHHGMJKJKZ-TYYBKXCLSA-N	247.103	-0.038	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)c(C(=O)O)c1	2256924917	QMFVDAQPUGMTKK-UHFFFAOYSA-N	248.987	-0.956	50	10	BBGE	
CC/C=C\CNC(=O)c1ncc(B(O)O)cc1C	2257495356	WWENDVNTXBUMAB-PLNGDYQASA-N	248.091	-0.234	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2298367865	YVBOIOBHIXHRTP-UNQZSWDGSA-N	233.076	-0.495	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@H]2CCC[C@H]21	2298369358	RRCHJUOGMBCPTE-JLIMGVALSA-N	239.080	-0.371	50	10	BBGE	
CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2298371367	JSSULXRPFFIAJU-DJLDLDEBSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)[C@H]1C[C@@H]1B(O)O	2298375755	YJLDWBCHSKIPMW-CVPUBMOQSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C1CC1	2298376932	YAPICVHXORNGQY-SFGNSQDASA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299946275	SXPBDZXPAJETQB-KLBPJQLPSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	2303425770	GSQWHQUGMCBOKY-BFLSOPEQSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2306880408	CUTFXILYDLYNFA-LPEHRKFASA-N	242.128	-0.352	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H](N)[C@H]3C[C@H]32)CC1	2309192993	NCGIUSFKQIMHMD-LMLFDSFASA-N	249.314	-0.153	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(B(O)O)cc1C#N	2317161459	MDUILGXFBIFHRI-GFCCVEGCSA-N	240.071	-0.160	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cn[nH]c1	2317166334	UDMSVOQPUQHHRQ-UHFFFAOYSA-N	242.047	-0.427	50	10	BBGE	
C[C@@H](CO)OC(=O)[C@H](O)Br	33637250	SMOOROHNJPGMPL-IMJSIDKUSA-N	213.027	-0.376	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCC(=O)N(C)C	45014366	JVUNMKYVTDPVEC-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
COCC1CCN(C[C@H](C)C(=O)NN)CC1	69632754	XZMKRLXYVUMOGX-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCOCC1	82469347	IYLYKZWWRDXOHS-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
NCCCSC[C@H]1CC[C@H](C(=O)NN)O1	85314617	WVOGZMCGWDTSKN-HTQZYQBOSA-N	233.337	-0.394	50	10	BBGE	
Cn1ccn(C[C@H](O)CBr)c1=O	156263377	TUOLBRGXZGLOAL-ZCFIWIBFSA-N	235.081	-0.057	50	10	BBGE	
COC(=O)C[C@@H](Br)C(N)=O	199166928	OWBBBMXDUGNUSC-GSVOUGTGSA-N	210.027	-0.202	50	10	BBGE	
OB(O)c1ccc(Cn2cncn2)c(F)c1	203175697	XPOINOBWRHLVSB-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
CC#Cc1cc(C(=O)N(C)C)ccc1B(O)O	204255920	LABBFXUGWPENLO-UHFFFAOYSA-N	231.060	-0.560	50	10	BBGE	
Cn1[nH]c(=O)c(=O)nc1SCCCl	236091078	QPTWNDMXXMRWQI-UHFFFAOYSA-N	221.669	-0.201	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NCCC(=O)N1	238299803	SUCLKSMZMLBSAU-VURMDHGXSA-N	209.205	-0.606	50	10	BBGE	
CN1C(=O)[C@@H](Cl)[C@@H](CO)N(C)C1=O	238337623	LMAMRPNZEJSAAT-UHNVWZDZSA-N	206.629	-0.522	50	10	BBGE	
C[C@@H](CN1CC[C@](C)(CN)C1)C(=O)NN	309064165	YEJWMASNZSRBOJ-WCBMZHEXSA-N	214.313	-0.717	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@]1(C)CN	310368721	MZVJAFOMMFYMEH-JOYOIKCWSA-N	242.367	-0.081	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](CO)CC1	378841681	PLFKPAXJNURBHI-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	379698121	JJWKYZOFMDXOSV-KVEIKIFDSA-N	236.340	-0.335	50	10	BBGE	
C[C@]1(O)C(=NNC(N)=O)CC[C@@H]1C(=O)O	384185693	JRIYTNCQDUWDTE-SPGJFGJESA-N	215.209	-0.744	50	10	BBGE	
COc1ccc(B(O)O)c(CCC=O)c1	396036040	YKXRSGGGQBKJOG-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
N#CCCc1ccc(C(=O)O)c(B(O)O)c1	396133379	POGOIYRIQITIPK-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnns1	400015277	HPLDSGXKKCUTNN-LURJTMIESA-N	229.309	-0.262	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CO[C@@H](C)C1	401550671	YSSYJFIYLJWKBK-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](CN(C)C)C1	405123376	JTKOXKYTUGHUES-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@H]21	685956736	IFBJDDWMGDVGNL-PHDIDXHHSA-N	205.208	-0.294	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC12CC2	705175135	WLSLWIJTKVOWOE-QMMMGPOBSA-N	232.048	-0.500	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CCOC[C@H]1O	706727866	WJIYBRYHSKOSOH-NKWVEPMBSA-N	243.712	-0.706	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C(C)(C)CCO	707914376	AYOHCYCCZCAIJS-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1CC(=O)NN	708295093	GWSKEAWLJWWUBC-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(B(O)O)cc1	713938740	LMXSSCYYCDAPPD-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CNC[C@@H](O)C1	722410089	LHWWURPMHZAMIB-YUMQZZPRSA-N	220.700	-0.298	50	10	BBGE	
O=C(CCl)OCC1=CC(=O)C(=O)CO1	725389514	CRYYILMOKMSCSE-UHFFFAOYSA-N	218.592	-0.179	50	10	BBGE	
CSCC(=O)NNC(=O)c1ncccn1	761044482	CDKXKLHSPGRECJ-UHFFFAOYSA-N	226.261	-0.399	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)NNC(=O)c1cnn[nH]1	772859474	OTJMIQIGNDLWMB-RNFRBKRXSA-N	237.263	-0.142	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	854186418	YJKQKIINZGWPTE-JIGDXULJSA-N	241.316	-0.440	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CSC(=O)N1	910171038	QOUJFQNFNJQRPG-WDSKDSINSA-N	233.293	-0.845	50	10	BBGE	
CCn1cc(C(=O)C(=O)NN(C)C(N)=O)cn1	1137623660	KXNIIBGLSIRZAT-UHFFFAOYSA-N	239.235	-0.873	50	10	BBGE	
COC(=O)C(C)(C)n1ccc(NC(=O)NN)n1	1327480286	OUJVCJPKNVUYHP-UHFFFAOYSA-N	241.251	-0.214	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)N(C)C)o1	1597966219	NVPKAYCQWYUTLM-UHFFFAOYSA-N	227.224	-0.777	50	10	BBGE	
Cc1cccnc1NNC(=O)Cn1cnc(N)n1	1616292583	NRUWGHAPQWWTOS-UHFFFAOYSA-N	247.262	-0.293	50	10	BBGE	
O=C(O)C(=O)N=c1[nH]nc(CCl)s1	1866100362	HXHBOYINJLVYDM-UHFFFAOYSA-N	221.625	-0.278	50	10	BBGE	
NCC[C@H](O)C(=O)NC1CC(Cl)C1	1882601549	VPZMDOBKSNAVGD-AHXFUIDQSA-N	206.673	-0.418	50	10	BBGE	
O=C(CCCl)NCCC(CO)CO	1882603427	RWMLGCRJKBXMIE-UHFFFAOYSA-N	209.673	-0.278	50	10	BBGE	
OC1CNC(=NC[C@@H]2C[C@H]2Cl)NC1	1883554477	UUSXZLOHRNUAPN-CAHLUQPWSA-N	203.673	-0.477	50	10	BBGE	
O=C(F)NCCC[C@@H]1NC(=O)NC1=O	1887186177	JHKPKNCVBOYWGS-BYPYZUCNSA-N	203.173	-0.346	50	10	BBGE	
NCCNCCS(=O)(=O)C[C@H]1C[C@H]1Cl	1893100221	UDMRSVNLWSWHPN-HTQZYQBOSA-N	240.756	-0.423	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(CCN2)C1	1893504010	BCFPYVMZXQUPQD-OWOJBTEDSA-N	214.652	-0.118	50	10	BBGE	
NNC(=O)N1CC[C@H](C(F)(F)CO)C1	1894463077	ZPTUKKHWZLEXKS-YFKPBYRVSA-N	209.196	-0.481	50	10	BBGE	
CN(CCF)c1ccc(B(O)O)cc1C#N	1901199963	OXGVIXAYOCRFJZ-UHFFFAOYSA-N	222.028	-0.356	50	10	BBGE	
CC[C@H]1C[C@]1(N)C(=O)NN(C)S(=O)(=O)CC	1901378251	YKLKBNFKOYSNBC-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
O=C(CCN1CC[C@@H](B(O)O)C1)NC1CC1	1902505935	NEWXULBPZOIPAZ-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)CCOCC(=O)NN	1909182196	XXVVSAJZVGPJBQ-UWVGGRQHSA-N	245.323	-0.793	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1ncccc1B(O)O	1913595501	KDPYKHMTJXTACK-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CC[C@H]1CCN([C@@H](COC)C(=O)NN)CCO1	1913637350	WLOGWTBULVTWCY-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(CC(=O)NNC=O)Cc1ccccc1	1923394422	NFEQYDJJMUQXCB-UHFFFAOYSA-N	221.260	-0.104	50	10	BBGE	
NCCNCCSCCCCCC(=O)NN	1923484084	RNZRIXKVEAGNIY-UHFFFAOYSA-N	248.396	-0.182	50	10	BBGE	
CCCN(CCO)CC(F)(F)C(=O)NN	1927816633	PTFNIFYAGVTXMM-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]2CC[C@H]1O2	1929833406	IZSPGNMJBUPVBO-GJMOJQLCSA-N	200.238	-0.833	50	10	BBGE	
C[C@@]1(O)CON(C[C@@H](O)CBr)C1	1930277474	OKEDADCOKXRGDC-BQBZGAKWSA-N	240.097	-0.260	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@@H](Cl)CF	1930551910	YUKGXXKOIVBBPH-YFKPBYRVSA-N	218.681	-0.041	50	10	BBGE	
O=C(NCCCCl)[C@H]1CCS1(=O)=O	1930861652	JGCPDVSXYNKQFF-ZCFIWIBFSA-N	225.697	-0.081	50	10	BBGE	
CS(=O)(=O)[C@H]1CCCC[C@@H]1NC(=O)NN	1932477044	CLTRDRZIHGIMEU-BQBZGAKWSA-N	235.309	-0.485	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1COC[C@H]1O	1933390813	ZHNGIQOBTZOYSJ-LYFYHCNISA-N	207.657	-0.263	50	10	BBGE	
CN1CCC(NC(=O)CCl)(C(N)=O)CC1	1933507288	MGDPHHMFIWFMSA-UHFFFAOYSA-N	233.699	-0.709	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C[C@H](O)C1CC1	1936079795	GUGWEVZUPQKNEL-UTLUCORTSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCCO)C1CC1	1936093502	FHCSMGASWMPIIS-PSASIEDQSA-N	227.308	-0.541	50	10	BBGE	
CC1(C)CCO[C@@H]1CCNC(=O)C(=O)NN	1939281765	VYXWSBPBJFQRNY-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CC(C)(C)CN(CCO)C[C@H]1C[C@H]1C(=O)NN	1941086301	IIGZUIJDNJNPIJ-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1CCOCC(=O)NN	1941779789	HWZQRYZKUUKJOJ-UHFFFAOYSA-N	243.223	-0.894	50	10	BBGE	
CC1CC(=O)N(CC2(C(=O)NN)CC2)C(=O)C1	1945883532	ARWJTUFOPTWHBV-UHFFFAOYSA-N	239.275	-0.458	50	10	BBGE	
COCC1(O)CCN(C[C@@H](C)C(=O)NN)CC1	1946492673	IXPPFVIJNNFGNP-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
O=C(NCC(F)(F)F)N1CC[C@H](B(O)O)C1	1951320172	FJGOFEPLVSXWMG-YFKPBYRVSA-N	239.990	-0.193	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cnc(O)c([N+](=O)[O-])c1	1952955909	CIUYETQVBDRAHI-RQJHMYQMSA-N	224.176	-0.420	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)[C@H](C)C(=O)NN	1955062069	DVNNATDGPICLCS-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](CCS(C)(=O)=O)N(C)C(=O)NN	1955545753	TWCMDIJHDLJXGY-ZCFIWIBFSA-N	223.298	-0.675	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NNCCO	1956204606	BKVUJYYYYUXDBT-PHDIDXHHSA-N	208.208	-0.109	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@]12CC2(F)F	1956902309	AMITVCWOSDGGPN-BBIVZNJYSA-N	221.232	-0.104	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)ccc1F	1963755867	KKTMTXILEFAILP-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CCN(CCCCO)C[C@@H]1C[C@@H]1C(=O)NN	1976239164	GCJFTWFHOLRMBV-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCC[C@@]2(CO)C1	1976391577	ZMROCUQQWOVUBL-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC=C[C@H](O)C1	1978920142	QLNKMFBRWUGTBS-UWVGGRQHSA-N	227.308	-0.376	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN=S(C)(C)=O)n1	1980591958	FGNODQBZUFEOIT-UHFFFAOYSA-N	245.308	-0.749	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ccn(C)c2C1	1981011890	ALXLZXKYUPOCSS-MRVPVSSYSA-N	222.292	-0.238	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@@](=O)[C@H](C)C1	1981188876	RWYMITLCDRZALV-ABFUHYCJSA-N	247.364	-0.546	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H]2C[C@H]21	1981416686	RNOBNSHEXYQKCQ-LDYMZIIASA-N	218.065	-0.250	50	10	BBGE	
Cc1ncnc(OC2CC(C)C2)c1B(O)O	1981420185	HCQOLVVAHDIVIZ-UHFFFAOYSA-N	222.053	-0.358	50	10	BBGE	
CSCCN(C)c1ncc(C)cc1B(O)O	1981468461	BZVIBPGJWPRCJJ-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
CN(C[C@@]1(C)CCCOC1)C(=O)C(=O)NN	1988675264	GRJWEOWNXXTJBG-SNVBAGLBSA-N	229.280	-0.749	50	10	BBGE	
CCN(C[C@@H]1CCOC1)[C@H](COC)C(=O)NN	2003784712	MQVJWXUIRSJGND-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
Cc1cc(C)n(-c2ncnc(C)c2B(O)O)n1	2005009934	VBPRZBXDZYGZOU-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@H]1C[C@H]1F	2006989656	VENFKVUGRPMQSA-DTWKUNHWSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H](CC(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	2008280476	HPAIJEOXFYLLQO-XPUUQOCRSA-N	243.068	-0.535	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ncn(C)n1	2008806702	GVELSPLAEZWELL-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cccc(B(O)O)c2=O)O1	2008844635	QLWYJFVGAOHUGJ-BDAKNGLRSA-N	237.064	-0.904	50	10	BBGE	
CCC[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	2011676716	MVIFEBRDPOOOIK-BDAKNGLRSA-N	243.307	-0.218	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@]12CCC[C@H]1C2	2016415922	CPHGMAOYFAKSMB-JOYOIKCWSA-N	233.076	-0.282	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2019179144	NMYXAHMRVDWGDG-DMEYHIBBSA-N	237.303	-0.260	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@H](C)CO1	2019219731	PUWCQILCUVEULJ-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
Cc1ncnc(OC[C@H]2CC2(C)C)c1B(O)O	2021269300	DIMJBBMECPUWRE-MRVPVSSYSA-N	236.080	-0.110	50	10	BBGE	
Cc1nc(N2[C@H]3COC[C@H]2C3)ccc1B(O)O	2021409168	ONMPIXLOTOIXCD-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC=CCC1	2022196809	SBXYVLIJLBZNGC-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
O=C(NCC(F)(F)F)c1ccccc1B(O)O	2022197210	ZHQDIMPVHLWOED-UHFFFAOYSA-N	246.981	-0.342	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1C[C@H]2C[C@@H]2C1	2040767398	QZNBWLGZXXYDEE-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
CN(CC1CC2(CC2)C1)c1ncc(B(O)O)cn1	2052463607	VCSAVHPIDUGJNW-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
Cc1nc(N(C)C[C@@]2(C)C[C@@H]2C)ncc1B(O)O	2052552206	PIHMWDUTDOOIDU-QPUJVOFHSA-N	249.123	-0.053	50	10	BBGE	
CCOc1cc(C=O)cc(B(O)O)c1F	2060120650	HYKGGBTZRVULPG-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCc1c(B(O)O)ccc(OC)c1C=O	2060159279	LRFASWZCSPFQBW-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@@H]1C[C@H]1Cl	2208909001	JZRMUCSNNGJXBX-NTSWFWBYSA-N	241.696	-0.294	50	10	BBGE	
CON(C)CCNC(=O)CBr	2208941294	PLOSZRULNNHXIY-UHFFFAOYSA-N	225.086	-0.009	50	10	BBGE	
C[C@H]1C[C@H]1OCc1nscc1B(O)O	2209702148	GEYJONGCCKGDJC-YLWLKBPMSA-N	213.067	-0.252	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@@H](OCC)[C@H]2C1)B(O)O	2210599828	AKLOQMVUXFCQEL-GARJFASQSA-N	225.097	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](F)C[C@@H](O)C1	2210699205	FQJOIMNHYKJMRH-UYXSQOIJSA-N	233.287	-0.594	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(CCCO)C1	2216752011	PMWUSPFFZUQEIN-MNOVXSKESA-N	241.335	-0.293	50	10	BBGE	
COC[C@]12CN([C@H](C)C(=O)NN)C[C@@H]1CCO2	2217059629	MDIUYRCDYIVQRV-WCABBAIRSA-N	243.307	-0.898	50	10	BBGE	
CC(C)(O)CCCN=c1ccc(B(O)O)c[nH]1	2217174442	ZEZGBDWXMZHYSG-UHFFFAOYSA-N	238.096	-0.854	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1c1ccc(B(O)O)cn1	2217177671	LZBFUXPVURZYMU-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(B(O)O)c(C)cn1	2217182050	YJJIOWZKNHKPPM-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
Cc1cnc(O[C@H]2CNC[C@@H]2C)cc1B(O)O	2217184817	WQFVLFRYRGOEFC-WPRPVWTQSA-N	236.080	-0.943	50	10	BBGE	
C#CCN(c1ncc(B(O)O)cn1)C(C)(C)C	2217196289	DVKMXZUKUMJGKU-UHFFFAOYSA-N	233.080	-0.606	50	10	BBGE	
C[C@H](N(C)c1ncccc1B(O)O)C(C)(C)O	2217198793	GIJKGABMHLAWLU-QMMMGPOBSA-N	238.096	-0.643	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CCNC[C@H]32)nc1	2223648208	IOTBIZCDIAVAHG-HBNTYKKESA-N	247.107	-0.971	50	10	BBGE	
CCN(c1cc(B(O)O)c(C)cn1)[C@@H]1CCNC1	2223648896	QWHWMWSVJWYECV-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](N)CC2)cc1B(O)O	2223648949	RMHGBNDEODGYTO-SNVBAGLBSA-N	249.123	-0.613	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@H]2C2CC2)nc1	2223652180	CLLPQONHRFFDGN-PWSUYJOCSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNC[C@@H]2C2CC2)nc1	2223657497	BRECAZNPEHAOEY-GHMZBOCLSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCO[C@@H]2C2CC2)nc1	2223674520	QFJOLFPSWOHLNV-ZYHUDNBSSA-N	248.091	-0.259	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(O)CSC1	2241491560	UITQQFGPLLGCHL-UHFFFAOYSA-N	235.692	-0.098	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)s2)C1	2243356663	LIZBNTQGWXMBBR-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)sn1	2243378056	LUPAYAUBNSZNPY-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C(=O)[C@H]1C[C@H]1B(O)O	2243397162	WQTDGUWNYGDLLA-VGRMVHKJSA-N	225.053	-0.367	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)c(F)c1	2243401811	XDJIIRVSDZLFIW-UHFFFAOYSA-N	222.968	-0.515	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNC(=O)C1(B(O)O)CC1	2243410512	CNWIDGZBIHWORQ-HTQZYQBOSA-N	229.085	-0.483	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1sncc1B(O)O	2243414986	LYKJKAPZHBYREL-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
CC1CC(CO)(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243419503	APHXMCPWTGOXMW-DOPNHTQNSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427495	WKLVCUYXVSLGQY-QXBQRDJISA-N	247.125	-0.877	50	10	BBGE	
C=C[C@@H]1CCN(S(=O)(=O)CC(=C)B(O)O)C1	2243432441	ACYZHUHQDCAMDY-SECBINFHSA-N	245.109	-0.608	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCC1(C)C)B(O)O	2243433551	NMEFJOSHSAYGCL-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CCOC(=O)Nc1ncc(B(O)O)cc1F	2243562759	XMVQTFXIEKYLHM-UHFFFAOYSA-N	227.988	-0.531	50	10	BBGE	
C=CC(=O)NCc1cc(B(O)O)ccc1F	2243684740	GDIDRIGDCNCXPK-UHFFFAOYSA-N	223.012	-0.692	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)sn1	2244149633	NFLOZGJHURAALO-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(CC2)CO1	2247734281	GTWMERISTKEPEX-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ccoc1B(O)O	2247738337	QFYZEKKDGDCSOC-KWQFWETISA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247738492	QZEVMBPRXAEBBP-ZXFLCMHBSA-N	236.080	-0.531	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247740572	MMYCHEAKIOMCMI-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1occc1B(O)O	2247753534	AIPDTKLDUHKSEI-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(CO)CCC1	2247755135	GVXMVPBZRDZSGR-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CN	2247757866	XVPNDVAIAFSTRB-QMMMGPOBSA-N	240.112	-0.563	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2247781456	LDAROFYKLJVDSS-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
CC[C@@](C)(CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786679	FCFVAZBHHAVOFK-NGZCFLSTSA-N	243.112	-0.093	50	10	BBGE	
CO[C@@H]1CCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247796662	BSZKZKUEKMFCMZ-YDYPAMBWSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247846331	DSMKDDAPMHRLEH-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC1C[C@@H]2CNC[C@H]2C1)C1(B(O)O)CC1	2247872419	RNPBCJLJXBUTQV-HTQZYQBOSA-N	238.096	-0.892	50	10	BBGE	
CCON(C)C(=O)c1cc(C)ccc1B(O)O	2247872989	BWDWHCHDWHCQKL-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CCCN(C)CCNC(=O)C1(B(O)O)CCC1	2247875561	YHBGTVSXCKHCFS-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
CN(Cc1cccnn1)C(=O)C1(B(O)O)CC1	2247879799	XQBIKNYCNAMFPT-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247896705	JJBLFDQVFVVYAE-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cc1O	2247962901	RKJBVJZGITUWQB-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
O=C(O)C[C@H](NC(=O)C1(B(O)O)CC1)C1CC1	2248574059	NPWSZGWZLJTERM-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248575271	AHWHQLUGAXESTP-PRJMDXOYSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](CNC(=O)c1cc(B(O)O)co1)C(F)F	2249416761	WTXXVQBMKYECSM-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
COC[C@H](OC[C@]1(C)CCN(C)C1)C(=O)NN	2253318215	ZMHBAWYIVMSSCS-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
O=C(Nc1ccccc1O)c1coc(B(O)O)c1	2255456923	VPQJUMIJJOZTMY-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1ccncc1B(O)O	2255457301	AKYRIPPDRNOCBF-UFBFGSQYSA-N	246.075	-0.566	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255466543	AHNIRYVJXYNFST-SECBINFHSA-N	246.075	-0.820	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1occc1B(O)O)C2	2255482530	WEBHEBHGSUCCCK-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCOC1	2255514686	MCSZOXZZVGSZFV-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(B(O)O)ccc1C	2255515120	SSACRYRZYLBPJR-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CC=CC1	2255551703	AWEQZCZSCKMKIR-SSDOTTSWSA-N	249.079	-0.826	50	10	BBGE	
CN(CCC1CC1)C(=O)c1cncc(B(O)O)c1	2255709790	BAKZJJKDYQJXJX-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1ccoc1B(O)O	2255722716	SJXKNOFDWIEFJI-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N(C)CCC#N	2255734941	JYCDRVBKZCMSTO-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
C#CC1CN(C(=O)Nc2ccc(B(O)O)cc2)C1	2255906560	FZLVYJFZGBYMLE-UHFFFAOYSA-N	244.059	-0.537	50	10	BBGE	
CN(CCC#N)C(=O)c1cc(B(O)O)ccc1O	2256013590	GXXZWSITLCDOMX-UHFFFAOYSA-N	248.047	-0.942	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C(=O)[C@H]2CCC[C@H]21	2258126116	CGROBIXKMNXNQB-IMTBSYHQSA-N	249.031	-0.890	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1cc(B(O)O)co1	2258144529	XNEONERJFDJVAZ-QMMMGPOBSA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@@H]12)[C@@H]1C[C@H]1B(O)O	2298371933	ZTKAGZQJUILLMP-IMSYWVGJSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]1c1ncon1	2298377064	CKLPMGIEJSCEBZ-XVMARJQXSA-N	237.024	-0.794	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2302020071	KVVSRGFXOLOHQD-MWGHHZFTSA-N	241.335	-0.152	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2C[C@@H]3OCC[C@@H]3O2)C1	2303158402	LYRSFTACDFSETM-ZNSHCXBVSA-N	241.096	-0.519	50	10	BBGE	
CC[C@H]1C[C@H]1CCOc1ncncc1B(O)O	2303612134	SKRGIAMMJWMSIF-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
CN1CC(CNc2ccc(B(O)O)cc2C#N)C1	2317151609	SKUDSBVSQVKSCM-UHFFFAOYSA-N	245.091	-0.788	50	10	BBGE	
N#CC(=CNCCO)C(=O)NC[C@@H]1CCCO1	2324797566	KDZYFIMYCXEMEC-JTQLQIEISA-N	239.275	-0.729	50	10	BBGE	
N#CC(=CNCCO)C(=O)NCc1ccco1	2325502799	VLZBVGWXTKDRMC-UHFFFAOYSA-N	235.243	-0.115	50	10	BBGE	
CC(=O)NCCNC(=O)NC(=O)CCCl	36746638	JNUYRRWSGZXERS-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
O=c1cnn([C@H]2OCC[C@@H]2Cl)c(=O)[nH]1	39283926	QAIMIFUBPLNYTI-NJGYIYPDSA-N	217.612	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](CCN)C1	70170894	CQXCWERJAQVJNI-SNVBAGLBSA-N	242.323	-0.786	50	10	BBGE	
CC(=O)NNC(=O)Cn1cccc(C)c1=O	71516767	GOQANOKSTXZWRX-UHFFFAOYSA-N	223.232	-0.676	50	10	BBGE	
NNC(=O)c1cc(CN2CCOCC2)on1	82466056	HUARBXUBDRTONA-UHFFFAOYSA-N	226.236	-0.890	50	10	BBGE	
CCCN(CCO)[C@H](C(=O)NN)C(C)C	82469873	WDXKIIZTSRSICA-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)NN	83866840	QRFKABHDLGSTDV-RQJHMYQMSA-N	201.270	-0.083	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=S)CCCO1	87231536	JIYZUWYXROTFCV-SSDOTTSWSA-N	203.267	-0.580	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOC2=O)nc1	94764125	IACGTQGYYNABBV-UHFFFAOYSA-N	236.231	-0.363	50	10	BBGE	
CCOC(=O)/C(C#N)=C/Nc1[nH]ncc1C(N)=O	100206112	DPZSHGBSRGEFNS-GQCTYLIASA-N	249.230	-0.109	50	10	BBGE	
O=C(O)CCCOc1ccc(B(O)O)cc1	201925834	AURWHSVMMOQHGL-UHFFFAOYSA-N	224.021	-0.390	50	10	BBGE	
CN(CCC#N)C[C@@H]1CC[C@@H](C(=O)NN)O1	223068259	NGDHTRBVFBTFOE-IUCAKERBSA-N	226.280	-0.631	50	10	BBGE	
COC[C@@H](CCCl)NCc1nnn(C)n1	228118259	IRHIHUFAAXPFDD-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
C[C@@]1(O)CC[C@H](O)C/C1=N\NC(N)=O	238502511	FWJCJMHZRVAVKZ-GZTPUUIPSA-N	201.226	-0.694	50	10	BBGE	
CC(=O)NNC(=O)c1cnc(Cl)nc1	307151825	WMTXUBHALWDALW-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
OC[C@H]1[C@H](CCl)[C@@H]2C[C@H]1[C@H](O)[C@H]2O	307394988	FWCUIQMBBGFVSD-YQWDKWCMSA-N	206.669	-0.179	50	10	BBGE	
OB(O)c1cnc(N2CCCCC2)cc1F	309191094	NVMQPYUBYAFTLT-UHFFFAOYSA-N	224.044	-0.109	50	10	BBGE	
CN(CCC(N)=O)CCC(C)(C)C(=O)NN	382059924	DGGZCBFLFWNIBE-UHFFFAOYSA-N	230.312	-0.800	50	10	BBGE	
CCOC1CN([C@H](C)CCC(=O)NN)C1	383058285	PWUQBBFQKZHWAO-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]2[C@@H]1B(O)O	383864475	OLRHHDWLAYQDLH-GENCIFFESA-N	240.112	-0.781	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(O)(CC)C1	384085185	AGRYYTNUFNKDMS-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384795142	RROLTOSPUGFMBN-RGOKHQFPSA-N	226.324	-0.753	50	10	BBGE	
CC(=NNC(=O)C(N)=O)c1c(C)nsc1N	390314215	GULWHTRDCXMWDC-UHFFFAOYSA-N	241.276	-0.641	50	10	BBGE	
Cc1cc(CN2CC(O)C2)oc1C(=O)NN	394930079	MDQCODRFBKNHLB-UHFFFAOYSA-N	225.248	-0.632	50	10	BBGE	
NNC(=O)C(=O)N1CCC=C(Cl)C1	404353542	QIMIQWLZZWIVRU-UHFFFAOYSA-N	203.629	-0.669	50	10	BBGE	
C=CCS(=O)(=O)Nc1ccc(B(O)O)cc1	404980134	NFOKMXCRJHZULM-UHFFFAOYSA-N	241.077	-0.706	50	10	BBGE	
O=C(CCC1CC1)Nc1cc(B(O)O)ccn1	404992351	DRNJRJXMVXCSAJ-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
O=C(NC(=O)N1CCCC1)N[N+](=O)[O-]	687759682	JKNZEXPODCXOJO-UHFFFAOYSA-N	202.170	-0.307	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@](C)(CO)C1	688120455	ZYBDOVZYXOPLLL-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
CCC(F)(F)CN(C)C(=O)C(=O)NN	693766166	YEUAGPIORUGUOC-UHFFFAOYSA-N	209.196	-0.520	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(N2CCCC2)C1	697800355	KKFQZGSYBBGRPE-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CCn1cc([N+](=O)[O-])cc1C(=O)NNC(N)=O	700852451	IPFAOZHTDAWITK-UHFFFAOYSA-N	241.207	-0.271	50	10	BBGE	
CN(N)C(=O)[C@H](NC(N)=O)c1ccccc1	707545968	UYVQSDMPJFZLKJ-MRVPVSSYSA-N	222.248	-0.272	50	10	BBGE	
O=C(NC1CC1)N1CCc2cccc(B(O)O)c21	712162359	NOCAUYHSIKKNAS-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H](CO)CN(C)C	716786301	OYOROKVKHDOWGI-RNFRBKRXSA-N	208.689	-0.348	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)CBr	717358284	YNIDBHJVUIZQHX-WHFBIAKZSA-N	226.070	-0.761	50	10	BBGE	
CN(CC1=CS[C](B(O)O)C1)C(N)=O	725658748	JFYRPULQJHLHSQ-UHFFFAOYSA-N	215.063	-0.438	50	10	BBGE	
C[C@H]1CC(=O)N(CCC(=O)NN)C[C@H](C)O1	829144886	WOWXKADNVMWLRD-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
CSCC(=O)NNc1nnc(C)n1C	856052031	DWVLELCWVQNOGM-UHFFFAOYSA-N	215.282	-0.070	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)CS(C)(=O)=O)[C@@H]1C	863184252	VBCOONZCKIXDCP-RQJHMYQMSA-N	248.304	-0.442	50	10	BBGE	
O=C(NNC(=O)C12CCN(CC1)C2)NC1CC1	900383511	FGEBBTWOUDUIQR-UHFFFAOYSA-N	238.291	-0.425	50	10	BBGE	
O=C1CCN2NC[C@H](Br)[C@H]2N1	953101895	PABADPNXPSHXHT-NJGYIYPDSA-N	220.070	-0.584	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@@H]1C	1261100304	MZBFJPBOJAPUMB-WDSKDSINSA-N	229.236	-0.712	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2cnn[nH]2)C=CCC1	1627302041	NTCGTLRMWBDQLJ-JTQLQIEISA-N	235.247	-0.078	50	10	BBGE	
OB(O)c1ccc(C2CNC2)cc1Cl	1884651650	HXXCDCNUHHYSBV-UHFFFAOYSA-N	211.457	-0.293	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](N=c2[nH]nco2)C1	1885008400	ASKKFNDTPRWUQP-UHNVWZDZSA-N	237.668	-0.692	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1885273941	HOIRAEIYWIMSCB-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
O[C@@H](CCl)CN1CCn2nncc2C1	1886862051	DTCBXTYPNLNPCW-QMMMGPOBSA-N	216.672	-0.307	50	10	BBGE	
CCN(Cc1nc(B(O)O)cs1)OC	1891783817	QITDGDLDKXKQRU-UHFFFAOYSA-N	216.071	-0.794	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCC1(CO)CO	1893470960	YGXNVBNGPIWIIM-NKWVEPMBSA-N	219.668	-0.431	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)CCCl	1894760537	KZQFGKOWYMDIGG-UHFFFAOYSA-N	217.660	-0.203	50	10	BBGE	
C[C@H](O)CCCN(C)CC1(C(=O)NN)CC1	1899923352	LQQAEGAZGSARSA-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
O=C(NC1CCCC1)c1cnsc1B(O)O	1900449715	FEICDVJSSSEFEO-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
C#C[C@@H](C)N(C)c1cc(B(O)O)c(F)cn1	1903005581	ITFQCNKQXXIMPZ-SSDOTTSWSA-N	222.028	-0.642	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccn2nccc2c1=O	1905541828	WJSFNVGFFCKBJW-ZETCQYMHSA-N	235.247	-0.563	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CC(=O)NC1=O	1905558336	FFHQWNBPDANPMM-RFZPGFLSSA-N	218.640	-0.465	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)C1CC(O)C1	1914575650	RJBCYXHNQDUYAM-UHFFFAOYSA-N	239.275	-0.162	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)CCC(C)(C)C(=O)NN	1916201351	CCAVEOJXCWWBML-MRVPVSSYSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](C#N)CN(C)CCOCC(=O)NN	1928180039	WWWLHYVQTLQBAD-MRVPVSSYSA-N	214.269	-0.916	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1F	1928691884	IBVOEVLDWCSFGJ-GJMOJQLCSA-N	219.260	-0.719	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)c2cnn[nH]2)C1	1928753414	PXCADSCIWJXMDV-CAHLUQPWSA-N	229.671	-0.544	50	10	BBGE	
O=C(CCl)N1CCNC(=O)C(F)(F)C1	1928950066	PMJHLGNHFKOTJW-UHFFFAOYSA-N	226.610	-0.181	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)[C@@H](C)CCO1	1929659086	IQONECWIAQASKF-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@]1(C(=O)NNCCO)CCCS1	1929833566	LQOFLSWAEGOLDI-QMMMGPOBSA-N	204.295	-0.115	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)[C@H](F)C1	1929872332	NSHPPBBVVBDADL-RFZPGFLSSA-N	217.649	-0.473	50	10	BBGE	
Cn1[nH]cnc1=N[C@@H]1COC[C@H]1CCl	1930293176	KRGOOYGJHQKVAX-RNFRBKRXSA-N	216.672	-0.097	50	10	BBGE	
COC[C@H](NC(=O)[C@H](C)Cl)C(N)=O	1932167114	ZNCSBKNVJHYNLM-WHFBIAKZSA-N	208.645	-0.770	50	10	BBGE	
O=C(NC[C@@H]1COC[C@H]1O)OCCl	1933390423	WEWZWDPBSSJTOR-PHDIDXHHSA-N	209.629	-0.084	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]1CC[C@@H]2O	1936239160	SSWBYMDXOKKNEW-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
CC(C)C1(O)CN(CC2(C(=O)NN)CC2)C1	1938248630	IVQCLOKKMPFYLH-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1938361187	HGWMDOYHUFVPLH-SFYZADRCSA-N	230.312	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC[C@H]2C1	1941082498	ZRWLZCQRYCLMNS-GARJFASQSA-N	238.335	-0.608	50	10	BBGE	
CO[C@@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1941092752	LNSPFMWPZIDGQZ-AXFHLTTASA-N	241.335	-0.031	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H](CO)C(C)(C)C	1941773132	SRZXNNYLWGCETM-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1943089185	JOLWOTLFSKLWEA-GARJFASQSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)C[C@@H]2C1	1944029892	PYTYLIIEABBJMI-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2CC[C@H]3O)CC1	1945883024	RWEWXDZWOSOOTB-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
C[C@H](CN1CC[C@@H]2OCCO[C@@H]2C1)C(=O)NN	1946395818	FCKISWNYSXJTMR-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
COc1c([C@H](N)[C@H](O)C#N)c(C)nn1C	1952879719	ZDWPCFXJFGQZAY-HTRCEHHLSA-N	210.237	-0.379	50	10	BBGE	
CNC1(C(=O)CBr)COC1	1953175081	YQMFGMVPQJZWJO-UHFFFAOYSA-N	208.055	-0.061	50	10	BBGE	
N[C@@]1(C(=O)CCl)CCS(=O)(=O)C1	1953709939	PMMCPZJYXUZIAV-LURJTMIESA-N	211.670	-0.690	50	10	BBGE	
NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)CCl	1957175546	QPCMMUYMBOXYCI-NTSWFWBYSA-N	240.712	-0.244	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](C)CS(N)(=O)=O	1957318857	QESCMCNURGFYGP-NTSWFWBYSA-N	242.728	-0.203	50	10	BBGE	
O=C1C[C@@H]2CCN(C[C@H](O)CCl)C[C@@H]2N1	1960156433	SIUDEQWMIBIFDY-YIZRAAEISA-N	232.711	-0.204	50	10	BBGE	
CCON(C)c1ncc(B(O)O)cc1Cl	1961717746	FRDFHBQQWRBGLH-UHFFFAOYSA-N	230.460	-0.198	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)CCS1	1961718777	TVVFUOCCBBRDNZ-ZCFIWIBFSA-N	244.150	-0.235	50	10	BBGE	
COc1cc(C(=O)NNCCO)cc(C)n1	1979545087	FZZYMSHKBVQSDD-UHFFFAOYSA-N	225.248	-0.375	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCC2(CC2)C1	1981014669	NUWKQHJRSAPBFM-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCOCCOc1ncc(C)cc1B(O)O	1981423495	FEYQYIFSYBBHBQ-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2C[C@@H]2C)n1	1981425854	KXHUFVBDRDTPNN-YLWLKBPMSA-N	222.053	-0.440	50	10	BBGE	
CC(C)(Cn1ccc(O)cc1=O)C(=O)NN	1982432090	GRZDRBDNRGYKSC-UHFFFAOYSA-N	225.248	-0.430	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@@H]2CCO[C@H]21	1983239754	VOWOOGTWQDIMMA-XDQCBXAXSA-N	223.228	-0.310	50	10	BBGE	
NNC(=O)C1(COC2CC3(COC3)C2)CC1	1985544300	QTWDVWUDCRNYJD-UHFFFAOYSA-N	226.276	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	1987554851	JMCQHANSOOPTND-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CN1CCN(C)C2(CC2)C1)C(=O)NN	1987899039	DVRMBFAPTVEDNI-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1(CCO)CC1	1988601033	FYIYKEMAOMISJC-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	1988837159	LQNPWEWRDTZCND-OORONAJNSA-N	231.271	-0.698	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCC(=O)NC1=O	1991712388	GXFMWUYSDIYZRJ-XWCPEMDWSA-N	244.634	-0.771	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2C=C[C@H]1C2	1992725509	DOONTRGMZBYXIX-ZJUUUORDSA-N	223.276	-0.196	50	10	BBGE	
CN(C)[C@@H]1CCN(CCC(=O)NN)C2(CC2)C1	1997672125	VJLUCMRZJXOFAC-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CCC[C@H](COC)N(C)[C@H](COC)C(=O)NN	2001424118	APIJGKNGCAJZQL-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CN(C)CC[C@@H]21	2004306101	DWVQQYLDDXQUQD-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]([C@H]2CCOC2)C1	2004395054	XRKWSGICKIHDJG-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CCC[C@@H]3C2)nc1	2004917023	SWAMGNGJWXRHDD-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CC2)CC3)nc1	2004918903	RLHJUVQHUJXOSP-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
CCOC[C@H](C)Oc1cc(C)c(B(O)O)cn1	2004928757	GCURIPFKRLQJEX-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
Cc1ccnc(O[C@H]2CO[C@H](C)C2)c1B(O)O	2004929379	KJSMGXNQEMZANQ-RKDXNWHRSA-N	237.064	-0.374	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC2(C)C)n1	2005018544	VLDRKFBTFSNQMS-UHFFFAOYSA-N	235.096	-0.238	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@@H](CCO)C1	2005060726	MUXOQPUKMCIEBO-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
CCCCCn1cnc2c(B(O)O)ncnc21	2007070952	XHSXJCSVUYHDBF-UHFFFAOYSA-N	234.068	-0.304	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cc(B(O)O)ccc1F	2014604793	LIISTESJTDYFHW-XCBNKYQSSA-N	240.039	-0.081	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(O)(CC(C)C)C1	2014745464	WNYLUNLOCOCLEE-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2017285852	KWZAVTXHVDSGAM-SRSLHRDFSA-N	249.261	-0.564	50	10	BBGE	
CCCN(C)C1CN([C@H](COC)C(=O)NN)C1	2017464730	BWOHYIGLUBVBFC-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2COC[C@H]21	2021417195	FKWJVXMEKFVAIY-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
OB(O)c1ccn(CCc2ncccc2F)n1	2021932174	XUHZEHFDVUYOLU-UHFFFAOYSA-N	235.027	-0.660	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cccc(B(O)O)c1	2022196168	IERJCNXKVZKJSP-VIFPVBQESA-N	231.060	-0.635	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@]23CCOC3)nc1	2052470964	BNJCUOBSXAEIQO-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
Cc1ccnc(N2CC[C@H](N(C)C)C2)c1B(O)O	2052472847	NYVNSZYWECPORE-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccccc1B(O)O	2079012460	UJQCZUVPWKTAPG-BZBKMWRSSA-N	245.087	-0.105	50	10	BBGE	
OB(O)c1csnc1CN1CCCOCC1	2211138087	PHAHPYALYJLIMZ-UHFFFAOYSA-N	242.109	-0.955	50	10	BBGE	
C[C@@H]1C[C@H](OCc2nscc2B(O)O)CO1	2211139460	GCXQJBIECOYYCC-RQJHMYQMSA-N	243.093	-0.483	50	10	BBGE	
CC(C)[C@@H](CO)Sc1ncccc1B(O)O	2212599870	OSYVRHLTRLBJCQ-SECBINFHSA-N	241.121	-0.130	50	10	BBGE	
CN(CC(F)F)c1nccc(B(O)O)c1F	2212604037	LFGHOUDZRZELHK-UHFFFAOYSA-N	233.986	-0.398	50	10	BBGE	
CCOCCCN=c1ccc(B(O)O)c[nH]1	2212612922	QCARQCWFAFLTQJ-UHFFFAOYSA-N	224.069	-0.978	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CS[C@H]2CCNC2)O1	2212627810	NAFJCRAWHLWFCD-CIUDSAMLSA-N	245.348	-0.381	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2[C@H](C[C@H]2O)C1	2213035582	YROGVYNMEOKEMQ-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(O)(C2CC2)C1	2215773291	ASQDPWZRXHHXTG-WCBMZHEXSA-N	239.319	-0.541	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1(CO)CCC1	2215773611	BTVBTLJNPFRPBI-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cc1cc(Sc2cc(B(O)O)ccn2)n(C)n1	2217167375	NOVPHQUMYCTIPD-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
Cc1nn(-c2cc(B(O)O)ccn2)c(C)c1C	2217170660	URPMSIGNHWPTCR-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCCCN2)nc1	2217175839	NZDUJLKGOZHLKE-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Nc1cc(B(O)O)ccn1	2217176178	SIEMEXIXUJVLJT-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2CCCO[C@H]21	2217178951	CWUCNGAARVKAMU-FXBDTBDDSA-N	234.064	-0.649	50	10	BBGE	
C[C@](CN)(Oc1ncccc1B(O)O)C(F)F	2217183462	ILKGYNYTSXEUOJ-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
Cc1cnc(OCCC2CNC2)cc1B(O)O	2217183491	LSNNPPOLNMSIQN-UHFFFAOYSA-N	236.080	-0.942	50	10	BBGE	
C[C@@H](N)C1(COc2cc(B(O)O)ccn2)CC1	2217192732	IVLNLSSILUTARN-MRVPVSSYSA-N	236.080	-0.732	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)Nc1ccc(B(O)O)cn1	2217202416	WNQBWRFMBVZYBY-NXEZZACHSA-N	238.096	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1cncc(F)c1=O	2217265816	OSZSFSJQKYQFAY-RNFRBKRXSA-N	240.238	-0.602	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCN[C@H]1C1CC1	2223620498	OEVRGLYUHMRDIU-QWRGUYRKSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)c1	2223632193	GSAVJFSVQHCPGU-NGTNGNHKSA-N	242.087	-0.316	50	10	BBGE	
CC(C)[C@H]1NCC[C@H]1Nc1ccc(B(O)O)cn1	2223641308	SLQNBVWONXDGDE-ZYHUDNBSSA-N	249.123	-0.440	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CC[C@@H]2CNC3)nc1	2223641329	STVYIRBTBHMCKT-SKDRFNHKSA-N	247.107	-0.827	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(c2ncccc2B(O)O)C1	2223668220	XPSBAUWPMZGUBY-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
OC[C@H]1CC2(CC2)CN1c1ccc(B(O)O)cn1	2223671073	HDGKOWPVLIERSN-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1c1ccc(B(O)O)cn1	2223671818	QBNRDGNVUNDSMS-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
CC(C)CONC(=O)[C@H]1C[C@@H]1B(O)O	2241479024	PXYGUYXABRXSGC-BQBZGAKWSA-N	201.031	-0.447	50	10	BBGE	
CC(C)(N)[C@@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658732	HIZQUUQFVWFEJT-ACZMJKKPSA-N	220.700	-0.029	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2242759636	HHSMHYQHTSQIJP-XSPKLOCKSA-N	249.694	-0.399	50	10	BBGE	
CN(C[C@H]1CCN1C)C(=O)C1(B(O)O)CC1	2243357992	AIUQIEFONWJIAR-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)C1(B(O)O)CC1	2243364049	QDIBPVRYFPIARX-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
CCC1(Oc2ncccc2B(O)O)COC1	2245001539	NMGDHDVHBYOGOC-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
N#C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2247735734	ONRREBCHWSJBAQ-QMMMGPOBSA-N	238.052	-0.866	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)o1)C1CCC1	2247747401	MZPQAFUINLBGHY-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CC[C@]1(NC(=O)C2(B(O)O)CC2)CCCNC1	2247751007	RISYJQFVVDAKFG-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)[C@H]1CCCO1	2247754859	GAZOOKWVUZSMLR-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CCCCCN(C)C(=O)c1cc(B(O)O)n[nH]1	2247784017	OGFSTVRGPYQJCQ-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)CN(C)C	2247787562	QOQKCPVOCBDJKG-BBBLOLIVSA-N	242.128	-0.447	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ncon1	2247790491	HSMKCDGGNHETTJ-FSDSQADBSA-N	239.040	-0.848	50	10	BBGE	
Cc1cc(C(=O)N(C)C2(C)CC2)oc1B(O)O	2247800437	PBASHOYDSQDLNM-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
CN(Cc1cocn1)C(=O)C1CC(B(O)O)C1	2247800813	SZEULHBRACZVOZ-UHFFFAOYSA-N	238.052	-0.114	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247807027	GZENEMNNNUQUPY-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H](C1CC1)N(CCC#N)C(=O)C#CB(O)O	2247849667	CYLODRJVELPCGA-VIFPVBQESA-N	234.064	-0.457	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CCN[C@@H]2C1	2247859144	KNXBNZQZSKCHBW-AUXWQGHOSA-N	238.096	-0.940	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1ccoc1B(O)O	2247867169	ZVVBNELZRUIVAS-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](O)C(C)(C)CNC(=O)C1(B(O)O)CCC1	2247878606	ORQLYXKXCURQPZ-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCC[C@H]1CCCN1)C1(B(O)O)CCC1	2247879667	WYNMQAZKFNILBP-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)c1cccnn1	2247887966	UGYRMGMNFKOWQV-SFYZADRCSA-N	235.052	-0.308	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCC[C@H]1O	2247888461	ZWMGPZDBCYSDJZ-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
Cc1cc(C(=O)N[C@]2(C)C[C@@H]2C)oc1B(O)O	2247891522	YZQJHLQVMJUPRX-WRWORJQWSA-N	237.064	-0.204	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247896145	XMYMQXUNLYTSQV-RGOKHQFPSA-N	241.096	-0.674	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247896706	JJBLFDQVFVVYAE-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(F)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248579920	UCPOSKAOKJYQDH-HSUXUTPPSA-N	247.031	-0.833	50	10	BBGE	
C[C@](NC(=O)[C@H]1C[C@@H]1B(O)O)(C(=O)O)C1CC1	2248585517	MYFDSQVSYBTBLH-MHYGZLNHSA-N	241.052	-0.781	50	10	BBGE	
COC[C@]1(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2248708660	RWLYKRXVQMIPII-ONGXEEELSA-N	236.080	-0.402	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1C[C@H]2C[C@H]2C1	2255513126	LTPWPCFOYHAMSK-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
C[C@H]1CCC=C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2255553793	CTBHDZVXWMVJCH-CBAPKCEASA-N	249.079	-0.826	50	10	BBGE	
CC#CCNC(=O)c1cc(C)c(B(O)O)c(C)c1	2255557148	ACONZCURSFHBCY-UHFFFAOYSA-N	245.087	-0.264	50	10	BBGE	
Cc1cc(C(=O)N2CC3(CCC3)C2)oc1B(O)O	2255573086	HGLVMVWODNNDPG-UHFFFAOYSA-N	249.075	-0.106	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2CC23CC3)c1B(O)O	2255730202	IPUXWTVCRHNDTR-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2coc(B(O)O)c2)C1	2255731903	MYUJCFCNEIEOAJ-SCZZXKLOSA-N	247.059	-0.509	50	10	BBGE	
CCc1nn[nH]c1CNc1ccc(B(O)O)cn1	2261466439	AYZMZCADVJLNDO-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
CC=CC(=O)NCc1ccc(OC)c(B(O)O)c1	2264100560	YMDGDXWXFJDPOZ-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)c[nH]1	2298367767	UXHPWAWEPJADJN-YEPSODPASA-N	234.064	-0.777	50	10	BBGE	
O=C(N1[C@H]2CC[C@H](C2)[C@@H]1CO)C1(B(O)O)CC1	2298368130	ONTUZOJNPWGDCE-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1C[C@@H]1B(O)O	2298369903	IMSQTJMPDXVAMG-UTINFBMNSA-N	241.096	-0.341	50	10	BBGE	
C[C@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369969	KIAOJOCEIQILMF-QCBRBAQYSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@H]1CCO[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298371170	BNPVCIUCHBTBML-DOLQZWNJSA-N	239.080	-0.467	50	10	BBGE	
Cc1nc([C@@H](C)NC(=O)[C@@H]2C[C@H]2B(O)O)n[nH]1	2298375998	ARQQLVQHYLCSPK-QPPQHZFASA-N	238.056	-0.847	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@H](F)C1	2300042704	SLPWPWIWGIOZRI-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)co1	2301201362	LVYRYGYWQDVVLE-MTBHXBHISA-N	237.064	-0.266	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(O)(C2CC2)C1	2302051129	XGGWHAZIJUERQF-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnccc1C[C@H](C)NC(=O)C(=O)NN	2302148191	ROJRQSNNGJDFNH-QMMMGPOBSA-N	236.275	-0.573	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)N2CC[C@@H](B(O)O)C2)CO1	2303109872	VODRDNAZYNDLTI-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCC[C@@H]3CCO[C@@H]32)n1	2307112522	NFLCXRZHHUASTR-KKZNHRDASA-N	236.080	-0.307	50	10	BBGE	
O=C([C@H]1O[C@H]2CC[C@H]1C2)N1CC[C@H](B(O)O)C1	2307451455	ZQODVDPVTCPEHU-XKNYDFJKSA-N	239.080	-0.371	50	10	BBGE	
CNC(=O)NNC(=O)c1csnn1	48949759	LNAZDJQUEBOIPY-UHFFFAOYSA-N	201.211	-0.888	50	10	BBGE	
CCC(CC)N(CCO)CC(=O)NN	82470340	HKZDTUZXLUCMAA-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)CC(C)(C)O	86275186	FLHHSXBAXWTLEQ-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CC(C)(CN1CCCS1(=O)=O)C(=O)NN	86598144	LWXWFTSZDVNYSZ-UHFFFAOYSA-N	235.309	-0.962	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnn(C)c1	93072172	YISSKUJQVOPJQL-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C	134004028	URMYWHDLDAIONW-WDSKDSINSA-N	200.238	-0.064	50	10	BBGE	
CN(C)NC(=O)N1CCN(CCC(=O)O)CC1	149137291	QMXXTDXDOBMQFQ-UHFFFAOYSA-N	244.295	-0.735	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN(C)C(N)=O)O1	179696522	HCMLIAZSUFHPDV-PHDIDXHHSA-N	201.226	-0.404	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCCNC	212115872	XQKRUTZFRUXLDX-SECBINFHSA-N	216.329	-0.314	50	10	BBGE	
COC[C@H](CO)NC(=O)CBr	229036845	NOJJSMOLSLJUNQ-YFKPBYRVSA-N	226.070	-0.495	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC(F)(F)F	232420377	ZJNUVGZJJYRUNE-ZCFIWIBFSA-N	243.229	-0.125	50	10	BBGE	
C[C@H](O)C1CCN(C[C@@H](C)C(=O)NN)CC1	235526815	LLHHPVDOJNVZPP-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)CCO1	251882755	VIPYOFWEPWRNGD-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CNNC(=O)[C@@H](N)c1ccc2[nH]cnc2c1	259082431	OKLFCJRAXLABAV-VIFPVBQESA-N	219.248	-0.187	50	10	BBGE	
CC(C)N(CCOCCO)[C@H](C)CC(=O)NN	310172306	QAVITNVLBDKJKW-SNVBAGLBSA-N	247.339	-0.526	50	10	BBGE	
Cn1ccn(CCC(C)(C)C(=O)NN)c1=O	395699934	HHADAVMZCWIIIW-UHFFFAOYSA-N	226.280	-0.407	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C(=O)NC)C1	398472515	GXOFQGBJNAHSOD-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)CC[C@@H]1C	399397659	FHBZMYQLKROENU-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@H](C)C1	399696654	VAQJOVLLNPGXMT-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1O	399952074	YKTRCNUOANMDEH-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CN1CCO[C@@H](CSCCC(=O)NN)C1	400802393	ZOJGRRVPTMMLNT-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1CO	404531479	YZACHMYUWCMMHK-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
COCCC(=O)Nc1ccc(B(O)O)cc1F	405019628	DBTCIFPKLDOGKH-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
CO[C@@H](C(=O)Nc1ccccc1B(O)O)C1CC1	692734445	WRDISSBUTYISRP-LLVKDONJSA-N	249.075	-0.270	50	10	BBGE	
Cc1cnccc1CCn1cc(B(O)O)cn1	694536285	PIHYMBIAZNQHSM-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
O=C(N[C@H]1COCC[C@@H]1Cl)c1cnn[nH]1	710854538	QWKBTHKKUAIVOO-FSPLSTOPSA-N	230.655	-0.069	50	10	BBGE	
OB(O)c1ccnc(OCC2CCC2)c1	716784693	RCOIGXWEXAKZFQ-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NCC#CCO	717529441	AKGNMPQNPLAUGG-QMMMGPOBSA-N	239.724	-0.224	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCS[C@H](CCO)C1	720090557	NTPANSBAOODCFB-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnsn1	829616066	JIGMXCXRRZQPQY-INEUFUBQSA-N	242.260	-0.666	50	10	BBGE	
CC[C@H]1COCC1=NNC(=O)[C@@H]1COCCO1	853315450	RTOGOQYYARZQIX-WPRPVWTQSA-N	242.275	-0.070	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)[C@@]1(C)CCCO1	854690076	PGIAPMOIQXXZCO-GHMZBOCLSA-N	242.275	-0.360	50	10	BBGE	
CN(NC(=O)Cc1cnnn1C)C1CC1	854983633	OMJDCZJUILEXKW-UHFFFAOYSA-N	209.253	-0.517	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1cccnn1	935344345	ZITRIVXMINUNAT-RNFRBKRXSA-N	208.221	-0.045	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)C2(CC2)C1	1117802898	ASHFNXPRFYCEMZ-ZCFIWIBFSA-N	225.697	-0.031	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCl)CO1	1260936691	HRNNLZWVSMJFFE-SCSAIBSYSA-N	213.642	-0.582	50	10	BBGE	
CCCNC(=S)NNC(=O)c1cn(C)nn1	1327819547	SGAPOEUYGJOCDV-UHFFFAOYSA-N	242.308	-0.666	50	10	BBGE	
CN(NC(=O)c1ccc(=O)n(C)c1)C(N)=O	1545887324	BEIKOZULXQOILV-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2COC(=O)N2)nc1	1637754943	LRPFJFJEDIFIQQ-SSDOTTSWSA-N	247.214	-0.495	50	10	BBGE	
C=CCONC(=O)NNC(=O)[C@H]1CCCO1	1686483085	QBEJCOQEVWVBLM-SSDOTTSWSA-N	229.236	-0.387	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@H](CN)O1	1877236687	ZGYNOBDFBUESPF-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1[C@H]2OCC[C@@H]21	1880578309	REVSUBZUGSDUNY-PBXRRBTRSA-N	211.670	-0.111	50	10	BBGE	
O=S(=O)(NC1CC(Cl)C1)N1CC(O)C1	1884412754	SKEPPBZCITXDPJ-UHFFFAOYSA-N	240.712	-0.733	50	10	BBGE	
CC[C@@H](OC[C@H](C)N(C)C)C(=O)NN	1884726820	TVDGMBYXHDMGCA-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
NC(=O)CN(C(=O)F)[C@@H]1CCCNC1	1887173392	LUSVADWJIBWZDM-ZCFIWIBFSA-N	203.217	-0.385	50	10	BBGE	
C[C@]1(C(=O)NNCCO)CCCOC1	1888251762	UYMHHMABBUJENO-VIFPVBQESA-N	202.254	-0.584	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(C)(C)N	1888598633	KCVCOTSAFQDMMY-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
CC(C)[S@](=O)N1CC[C@](C)(B(O)O)C1	1891518104	XDPPEZVKMVGMPW-RTHLEPHNSA-N	219.115	-0.003	50	10	BBGE	
OB(O)c1cc(OCCF)ncc1F	1892557739	RNIKMADZWWWFSU-UHFFFAOYSA-N	202.953	-0.751	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCO[C@H](CO)C1	1893470943	YDHTVKQPQRHFIT-XLPZGREQSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC(F)(F)C(=O)NN	1895682071	CNKPUTRKBOBCBK-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCOC[C@@H]1C2	1897136704	GQKLDWPFEFQSKM-WCBMZHEXSA-N	225.053	-0.903	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(C(=O)C=CC(=O)Cl)C1	1897219019	AGRUDHLXJXWBSI-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2nccn2CC1	1900384847	OHMYWOIEVGCAQN-MRVPVSSYSA-N	223.280	-0.880	50	10	BBGE	
CC[C@H]1NCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901376125	WIZXIKFDHZLDGW-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1cc(B(O)O)c(F)cn1	1903006496	UNLVOAGTKHFFJD-RCOVLWMOSA-N	224.044	-0.255	50	10	BBGE	
CCO[C@@H]1C[C@@H](OC)CN([C@@H](C)C(=O)NN)C1	1906327588	SFDJGBJTNTVLAB-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CO[C@@H]3CCOC3)(C1)C2	1911213658	OPQDMLGJOUMHOS-FBIMIBRVSA-N	242.275	-0.669	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)CC(=O)NN)[C@H]1C	1914335092	NOMVSXVXCMEWJH-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
COC1(C(=O)NCC(Cl)Cl)CNC1	1917741354	XMIZCBDISPPUDB-UHFFFAOYSA-N	227.091	-0.105	50	10	BBGE	
N#CC1=CCN(C2=NC[C@@H](O)CN2)CC1	1921807538	VDUITHUVNUVGJW-UHFFFAOYSA-N	206.249	-0.538	50	10	BBGE	
CO[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1927816407	MLZPSRLODOHNHF-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
NNC(=O)c1coc(CN2CCCO2)n1	1928677042	SHILAZMYPPUVCF-UHFFFAOYSA-N	212.209	-0.585	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NS(=O)(=O)C2CC2)C1	1928751953	XSHAKXFFLBSBIO-JGVFFNPUSA-N	238.740	-0.010	50	10	BBGE	
OC[C@@]12CO[C@@H](CN1C[C@H](O)CCl)C2	1931127731	FRTPWAPTYFUUQL-HLTSFMKQSA-N	221.684	-0.578	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	1936086597	YOHOSBVHADKHTK-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094923	RKSHQOAWJZLIGC-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
Cn1cc(CCNC(=O)NC(=O)CCl)nn1	1937422634	NHCAPJIALTYDAB-UHFFFAOYSA-N	245.670	-0.578	50	10	BBGE	
CN(Cc1csnn1)CC(C)(C)C(=O)NN	1937710895	OFCGNIOHEQEBHC-UHFFFAOYSA-N	243.336	-0.014	50	10	BBGE	
CC(C)N(C[C@H](C)O)CC1(C(=O)NN)CC1	1938248848	MBLNIJROAGXGED-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941082887	KHDABLOXFUZPPB-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(CCOCC(=O)NN)C1	1941772999	QJPMCEUIVWOOKU-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
CCC[C@@]1(O)CCN(CC(=O)NNC(C)=O)C1	1945551227	JOUBMCJZGOHGMT-LLVKDONJSA-N	243.307	-0.609	50	10	BBGE	
CO[C@@H](CCS(C)(=O)=O)CN=C=O	1951404678	GPXXLOUPKMVFDC-ZETCQYMHSA-N	207.251	-0.228	50	10	BBGE	
O=C(CCl)C[C@@H]1CNCCS1(=O)=O	1954336938	YAABNNOXQFHUKR-SSDOTTSWSA-N	225.697	-0.429	50	10	BBGE	
CCN(C)C1CN([C@@H](C)C(=O)NN)C1	1956719048	DGDSPNAUENLZAI-ZETCQYMHSA-N	200.286	-0.999	50	10	BBGE	
C[C@@H](CN1CC[C@@H]1CN(C)C)C(=O)NN	1958803303	DAUYBJAVNSGYPR-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)C(=O)N1CCCC2(CCC2)C1	1961440822	TYJLVAQTTCFUNZ-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
CC1(C)C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CO1	1972414459	QOZVVGMQTDRXEU-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
N#CC1CN(Cc2cc(C(=O)NN)no2)C1	1978712060	QUWIRMQZAQHCMX-UHFFFAOYSA-N	221.220	-0.767	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([C@H](F)CO)C1	1979546872	BTYMUXJZUYPMRJ-RKDXNWHRSA-N	233.287	-0.737	50	10	BBGE	
C[C@H]1CC[C@@H](Oc2ncc(B(O)O)cn2)C1	1981419824	BFIKHXCFFNCGCN-IONNQARKSA-N	222.053	-0.276	50	10	BBGE	
OB(O)c1cnc(OCCCC2CC2)nc1	1981421310	YCAFIPLURNNGKS-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C2CC2)C(=O)C1=O	1986913865	VRWIXKODMVLKBY-LURJTMIESA-N	244.678	-0.027	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COC[C@H]1CC(=O)O	1987644355	VDMJOWCVZIGPEH-RQJHMYQMSA-N	231.252	-0.748	50	10	BBGE	
O=C1CN(C[C@@]23CC[C@@H](CO2)C3)CC(=O)O1	1989902655	COFCYMBWLLUVGH-KCJUWKMLSA-N	225.244	-0.059	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCC=CB(O)O	1991325962	BIAZCDFZAYAVAZ-UTINFBMNSA-N	223.081	-0.037	50	10	BBGE	
CN1CCC[C@H](OCC2(C(=O)NN)CC2)C1	1992111951	VPNFNNQGWFJSHZ-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	1997189057	QMXGKPMWKHUEGR-AXMZGBSTSA-N	245.229	-0.522	50	10	BBGE	
CC(C)(C)c1nc(CNC(=O)C(=O)NN)co1	1997852853	WBDCCEBYNSXNDA-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
C[C@@H](CN1CCn2ncc(O)c2C1)C(=O)NN	2002894618	YKPRMJXHDJYJKJ-ZETCQYMHSA-N	239.279	-0.970	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCn2cccc2C1	2004184835	LIESWYZHXTZJAI-ONGXEEELSA-N	234.303	-0.070	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1CCCOC1	2004929815	NXOKEYMLLSJPLR-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N(C)C2CC(C)C2)ncc1B(O)O	2004973095	PPBXGXOOFJLGGO-UHFFFAOYSA-N	235.096	-0.300	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCC(F)(F)C1	2005016344	NVCLAKQYEKBRSP-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H]1C1(O)CC1	2013924751	FWWDPEPVUTWRFW-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H]1CCOC1	2019604699	GGWNDGXPLNGEAD-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CCC[C@@H]2F)n1	2020493221	JJRGWTZKUOSUCJ-DTWKUNHWSA-N	240.043	-0.266	50	10	BBGE	
CN(Cc1cocn1)Cc1ccccc1B(O)O	2042253482	UOTHDZHOGMRJPP-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
CCN(C)[C@@H]1CCN(c2ncccc2B(O)O)C1	2052494002	GURVTTMNABBVSH-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@@H]3C2=O)cn1	2056637141	NQKYGTHRYRKXOB-BDAKNGLRSA-N	246.270	-0.337	50	10	BBGE	
CCOc1cc(OC)cc(B(O)O)c1F	2060111067	HKILYSFSHXJCEX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
COc1ccc(B(O)O)c(C#N)c1C=O	2060193543	WMHCOVBIEFFWOS-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1COC2CC1C2	2063126016	ZYLASIKPFVRYHL-NWGYLPEXSA-N	248.091	-0.625	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCN1C	2066392035	FYWDJRLNIXBUOM-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
CN1CCC[C@H]1COCC1(C(=O)NN)CC1	2211860402	FVAVIFBZALJTLI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C1(CN2CC(F)C2)CCOCC1	2212444738	OWNCVQLHBLYGJL-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H](O)[C@H]1CC2	2216251336	FANASHGIVABJFP-BWZBUEFSSA-N	249.261	-0.401	50	10	BBGE	
COCC1(CNc2ncccc2B(O)O)CC1	2217178251	SZCXBJMNAMAKMF-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@H](N)C(C)(C)COc1cc(B(O)O)ccn1	2217187352	XAELHNUTTDUVAP-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CC[C@H]2C[C@@H]21	2217197448	MPGSANLWTUCTHI-INTQDDNPSA-N	232.092	-0.004	50	10	BBGE	
OCC1[C@H]2CN(Cc3cccc(B(O)O)c3)C[C@H]12	2220067174	KXMPTRNSYMBZOY-RYUDHWBXSA-N	247.103	-0.964	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@@H]3CC[C@H](C2)N3)c1	2223634028	DTFIXQIXLUMMKR-ZACCUICWSA-N	247.107	-0.544	50	10	BBGE	
Cc1cnc(NCc2[nH]nnc2C)cc1B(O)O	2223639617	FNCHTKHIDQQBDW-UHFFFAOYSA-N	247.067	-0.892	50	10	BBGE	
CC1(C)CCN(c2ncccc2B(O)O)CCN1	2223642586	LEQKREIVSTVQPW-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N2C[C@H](N)CC[C@H]2C)cc1B(O)O	2223646438	KQGSRWXXRIVZKM-NXEZZACHSA-N	249.123	-0.614	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1CNc1cc(B(O)O)ccn1	2223679240	MWXFIOIWYPFMTC-WPRPVWTQSA-N	249.123	-0.453	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CCC(=O)NN	2242152729	DAGDNAZAPCJWTG-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
O=C(NCC1(CCO)CC1)C1(B(O)O)CC1	2243363462	GZBBKCGPNGBOIM-UHFFFAOYSA-N	227.069	-0.728	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)o1	2243401225	OEZWRRJQEAVLSZ-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)[S@](C)=O	2243403906	FYHFPRNZWNYJJV-BTZQDYPBSA-N	247.125	-0.877	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1coc(B(O)O)c1	2243410354	ZYHLXFUFERGJAK-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
C[C@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243410639	FNUUOFFQKFUUHA-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC12CCC2)B(O)O	2243433553	NMNHUYRIRKXHSR-QMMMGPOBSA-N	245.109	-0.583	50	10	BBGE	
CCc1cnn(CCCC(=O)NN)c(=O)c1	2245026129	FRUJAEBFPPOJLX-UHFFFAOYSA-N	224.264	-0.424	50	10	BBGE	
O=C(C#CB(O)O)NCc1ncc(C2CC2)o1	2247740609	NAJLXTHLLWKWAQ-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2247744855	YVBOIOBHIXHRTP-NZHYYXIDSA-N	233.076	-0.495	50	10	BBGE	
O=C(N1CC([C@@H]2CCNC2)C1)C1(B(O)O)CC1	2247751302	WAHHRJMXOGFBGB-MRVPVSSYSA-N	238.096	-0.939	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1F	2247752191	KLACEQNDBHIENN-YUMQZZPRSA-N	240.043	-0.972	50	10	BBGE	
CC[C@](C)(NC(=O)C1CC(B(O)O)C1)C(N)=O	2247797438	JPPZRMWTTZRPKT-QIMWKCOFSA-N	242.084	-0.990	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247800641	RBZJROZKOKLFER-RQJHMYQMSA-N	232.008	-0.850	50	10	BBGE	
O=C(NCC1CCC(O)CC1)[C@@H]1C[C@@H]1B(O)O	2247806491	NNXNIPYFLRLILY-BMNUFHGDSA-N	241.096	-0.483	50	10	BBGE	
C=C1CC(CNC(=O)c2ccoc2B(O)O)C1	2247847172	SMRHIPZVOMAPBQ-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCCC[C@@H]21	2247848618	OFUPVUXCMXAPJN-VWYCJHECSA-N	235.092	-0.056	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1cc(B(O)O)c[nH]1	2247850830	UITTZYYNNDMTBV-UHFFFAOYSA-N	234.064	-0.633	50	10	BBGE	
CC1(C)CC[C@H](NC(=O)C2(B(O)O)CC2)CN1	2247874890	UHSPSNMDEWYZDS-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)C1(B(O)O)CC1	2247879749	XKANJTAWTQLDRU-YUMQZZPRSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCC1(F)CCNCC1)C1(B(O)O)CC1	2247880302	ZAXDIRZIWTVELY-UHFFFAOYSA-N	244.075	-0.799	50	10	BBGE	
O=C(NC1CC([C@H](F)CO)C1)[C@H]1C[C@H]1B(O)O	2247887463	OLCVNHJFHYWBJQ-HPTJDRHVSA-N	245.059	-0.926	50	10	BBGE	
Cc1nn(C)cc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247887884	SODBFCOIKABTKN-ZKCHVHJHSA-N	237.068	-0.080	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)C2CC(B(O)O)C2)CCN1C	2247891702	MSMSFQFIFMDHLN-NFTFJBJSSA-N	240.112	-0.552	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247892278	XGVUFQSBPXHBNU-MRVPVSSYSA-N	237.064	-0.038	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccnc(F)c1F	2248397056	ICUSYOIGNFKYGT-UHFFFAOYSA-N	239.974	-0.895	50	10	BBGE	
COc1cc(C#N)ccc1NC(=O)C#CB(O)O	2255467704	QSSBAFYHXNGMDU-UHFFFAOYSA-N	244.015	-0.479	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCCC[C@H]21	2255481070	BXIHJMZHLUYEHI-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@H]2CC[C@H]21	2255510150	VHVXAUXSGYUGEW-PSASIEDQSA-N	248.091	-0.671	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cccc(C)c1B(O)O	2255514243	FYVQGFOYNCTBCR-SNVBAGLBSA-N	243.071	-0.477	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cn1	2255517599	WLNHWBDCJPGRBU-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
Cc1cc(C(=O)NCC=CC2CC2)oc1B(O)O	2255572959	FCZPNFMLBDNDDX-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1cn[nH]c1	2255672099	AVNAUJVPZFXXNB-JTQLQIEISA-N	247.063	-0.521	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCOC2)ccc1B(O)O	2255690058	UUGMQFZSVNQCNN-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
CCCN(C(=O)c1cncc(B(O)O)c1)C1CC1	2255722267	MNSIKNJWHIBPGN-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C=CCN(CC=C)C(=O)c1ccncc1B(O)O	2255729226	RPIWNYILNXPFGS-UHFFFAOYSA-N	246.075	-0.424	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1cc(B(O)O)co1	2258138183	HEGXNDVLYHFZJR-IUCAKERBSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)co1	2258139822	YLHIQEZNUHRXFO-MBTKJCJQSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CC2)c1c[nH]nc1B(O)O	2260531198	KLLYRNRLQGHWCZ-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@H]1B(O)O	2298369907	IQPZZXRFDYHZON-JDDHQFAOSA-N	238.096	-0.813	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)[C@H]1C[C@H]1B(O)O	2298377222	ISZYQPWNPBUHMW-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1OC2(C)CC1(NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298377691	ZVGSHTCSSNYESS-WXNQFUCISA-N	239.080	-0.325	50	10	BBGE	
C[C@@H](O)CC1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	2302435388	AQBUEROGQBFUCD-UBJLHIIHSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@@H](CO)N(C)c1cc(B(O)O)ccn1	2302490447	GANKKBSAJMQMIN-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
C[C@@H](CC#N)N(C)c1cc(B(O)O)c(F)cn1	2303835579	YWYJZUGIIMVRAY-ZETCQYMHSA-N	237.043	-0.361	50	10	BBGE	
CCNCCCOc1cc(B(O)O)c(F)cn1	2303854845	HENCGLBPVXVSHT-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c1F	2312612435	XLVHBOAWQDKSIB-OORONAJNSA-N	248.066	-0.255	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1ccc(B(O)O)o1	2312848172	RDJIGKWXXZWELD-CIUDSAMLSA-N	249.075	-0.122	50	10	BBGE	
C[C@H](CCl)C(=O)N(CCO)CCO	54714943	FHBBCLCGGHLUAU-SSDOTTSWSA-N	209.673	-0.326	50	10	BBGE	
CN(CCC(=O)NN)CCN1CCCC1	82469050	UQDWRTCXUCBPRX-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
O=C1CC[C@@H](NC(=O)CCCCl)C(=O)N1	84404587	JDCFRWIYELUBJL-ZCFIWIBFSA-N	232.667	-0.073	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85542004	BYIPAYNGPTUDOJ-KXUCPTDWSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCNCC1	86313620	NCIZCRVIKOSMLA-DTWKUNHWSA-N	214.313	-0.704	50	10	BBGE	
CNC(=O)[C@H]1CCCN1[C@H](C)CCC(=O)NN	104104983	RAXCQISRSIPTLC-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cncc(OCC[C@@H]2CCCO2)c1	203495444	QGDSNRVEGHDQON-JTQLQIEISA-N	237.064	-0.291	50	10	BBGE	
NCCCC[C@H](N/C=C/C=O)C(=O)O	225936366	ZKPSLLGRNDRMAU-HFSLJOEWSA-N	200.238	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCN(C)C(=O)C1	229088290	OCNBKBKVDIOTEP-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CCn1cnnc1CNC(=O)NC(=O)CCl	230759916	CGOCIIOWNZRCEJ-UHFFFAOYSA-N	245.670	-0.137	50	10	BBGE	
CC[C@@H](CO)NS(=O)(=O)CCCl	232298943	OMTUWMKMSYUTPB-LURJTMIESA-N	215.702	-0.085	50	10	BBGE	
CC(=O)Oc1ccc(O)c(C(=O)NN)c1	238116619	CZRBZWIPTKTVDX-UHFFFAOYSA-N	210.189	-0.079	50	10	BBGE	
CN1CCC[C@H](CN(C)C(=O)NN)C1	258805154	RUMWAODDZHNRBM-QMMMGPOBSA-N	200.286	-0.157	50	10	BBGE	
CNNC(=O)COCc1ccc2c(c1)CC(=O)N2	258947536	DMRAXFJZDZADDG-UHFFFAOYSA-N	249.270	-0.052	50	10	BBGE	
NC(=O)N(N=O)[C@@H]1[C@H]2COCOC[C@H]21	306162323	MWYPIWCRPCABHY-FMCRUOTFSA-N	201.182	-0.333	50	10	BBGE	
Nc1csc2cc(O)cc(B(O)O)c12	306845184	GGEWSAKYFPCEJK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(NNCC1(F)CC1)[C@H]1COCCN1	309565309	KRMQPYRWPAYLPE-SSDOTTSWSA-N	217.244	-0.902	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(OC(C)C)cn1	310318623	YRNRTWMXYFSBGX-SECBINFHSA-N	242.279	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2CCC2)CC1	328412840	PJGRURXUDHCQJW-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	381894640	UANPSOIMQBGBAY-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CCN(CC)[C@H]1CCCN(CC(=O)NN)C1	382635477	MUBNMLSOTUWDSY-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)S(=O)(=O)C1	393566340	KLGYLDNHZGGXOQ-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
C[C@@H](O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395574694	ANYQHXRWOUQFRY-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CCN1CCC(N)CC1)C(=O)NN	395597407	SQDCNURPWALZLK-UHFFFAOYSA-N	228.340	-0.184	50	10	BBGE	
CCOC(=O)c1cccc2oc(B(O)O)nc12	396110747	HLDDVFZIVFLAQG-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
CCC(=O)c1cccc(C(=O)OC)c1B(O)O	396140397	WBKNWCHNVNTERT-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
Nc1ccc(C(=O)O)c2c(B(O)O)csc12	396246536	OSBOYMZUJZTNHU-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C[C@@H](C)C(=O)NN)CO1	401509835	HVIBKMUPXNWOQK-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1CCCO1	404914379	MSHCHKOYRKFQQK-LLVKDONJSA-N	249.075	-0.838	50	10	BBGE	
Cc1oncc1C(=O)Nc1ccccc1B(O)O	405067135	WLWKORLIGDMXET-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)N1CCCC1	405079136	JYPGDPGEOUXYBI-UHFFFAOYSA-N	241.081	-0.549	50	10	BBGE	
COC(=O)NCc1ccc(B(O)O)s1	405176416	BXHUGLGIMUSWMQ-UHFFFAOYSA-N	215.039	-0.716	50	10	BBGE	
CSc1cc(F)c(B(O)O)cc1O	575705329	IKBMHZQNGIFDMI-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
CC[C@@H](/C=N/NC(N)=O)[C@H](C)/C=N/NC(N)=O	585669186	DDMBJBYIAQTMGB-GOIMUYAZSA-N	242.283	-0.043	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1N(C)CC(=O)NN	687453847	HIYDIHJRYCQYOR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CN(C[C@@H]1CCCCS1(=O)=O)C(=O)NN	694482018	JAUHGRDQLCCHJW-ZETCQYMHSA-N	235.309	-0.531	50	10	BBGE	
NNC(=O)CCCCCN1CC2CC1(CO)C2	694582779	JFSXYKSYMBGZLW-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
O=C(NCC1CC1)Nc1cccc(B(O)O)c1	701041244	BFSQSBDWMRKJIW-UHFFFAOYSA-N	234.064	-0.102	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2nccnc2N)CC1	701198207	HDLDJOGWDMKGFI-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
OB(O)c1ccn(CCCC(F)(F)F)n1	703686344	GDRMXMVMENWMMZ-UHFFFAOYSA-N	221.975	-0.095	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(Cn2cccn2)o1	706052762	FWZCLCNVMYPAKL-UHFFFAOYSA-N	249.230	-0.163	50	10	BBGE	
CCn1nnnc1S[C@H](C)[C@H](C)C(=O)NN	707107369	PHKHCGCJBWDYFK-NTSWFWBYSA-N	244.324	-0.200	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@]2(CCOC2)C1	707280155	YGMLSQZLYNHLPL-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
C=CCS(=O)(=O)NC[C@@H](Cl)C(=O)OC	711134708	GJBATBDSQWLPAQ-ZCFIWIBFSA-N	241.696	-0.128	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1	711458421	ZVEQDBAOKZSFGO-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
CCC1(N(C)C)CCN(CC(=O)NN)CC1	715186719	JWUYKHOSTZKFNV-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](Sc1nc(O)cc(O)n1)C(=O)NN	716516355	FKVCAARRRCZNIU-VKHMYHEASA-N	230.249	-0.642	50	10	BBGE	
C[C@H]1CCN([C@H](C)C(=O)NN)CCO1	720471646	JUUBRBSZZFNBCS-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CN(NC(=O)COc1ccc(O)cc1)C(N)=O	778417153	OHUZNWPMNRJNJE-UHFFFAOYSA-N	239.231	-0.187	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)[C@H]1CCCO1	817216404	ZOJGQHSMAMWTIQ-HTQZYQBOSA-N	230.264	-0.669	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNC(=O)C1CCC1	900659229	LZAKYEHJZKWRFD-ZETCQYMHSA-N	230.264	-0.934	50	10	BBGE	
C[C@H](C(=O)NNC(=O)C(C)(C)O)[C@H]1CCCO1	907628014	UIFPVLWZZYKBOW-JGVFFNPUSA-N	244.291	-0.280	50	10	BBGE	
Cc1ccn2ncc(C(=O)NN(C)C(N)=O)c2n1	1116503114	OMODBIRKVBWYFP-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
O=C(NNC(=O)c1cc(=O)cc[nH]1)NC1CC1	1136412486	DVKPQCQQXHREML-UHFFFAOYSA-N	236.231	-0.519	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)c1ncon1)C1CC1	1439772194	JQFGZCBNPLTSKS-ZCFIWIBFSA-N	240.219	-0.744	50	10	BBGE	
COCC#CC(=O)NNc1ncccn1	1441047611	JVVRAGSLXZLITP-UHFFFAOYSA-N	206.205	-0.431	50	10	BBGE	
CC(=O)NNC(=O)c1cc2ncccn2n1	1540576690	ZHPCTFQOTIJZOQ-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
O=C(CCn1cnnn1)NNC(=O)C1CCC1	1565711920	VRHNFVLPZYDHCM-UHFFFAOYSA-N	238.251	-0.989	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)CCl)C(=O)O	1865982693	MGHPAOHIGKEDLN-SCSAIBSYSA-N	223.612	-0.642	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@H](N)CCC(N)=O	1866101607	RHDGRAVNXCZKCP-PHDIDXHHSA-N	221.688	-0.677	50	10	BBGE	
C=C(CCl)CN1C[C@H](O)[C@H](O)[C@H]1CO	1877831733	AGDDGLFAISHPCI-HRDYMLBCSA-N	221.684	-0.820	50	10	BBGE	
O[C@@H]1[C@H](O)CN(CCBr)[C@H]1CF	1878012042	OGBZUOQCEITXDO-XVMARJQXSA-N	242.088	-0.243	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@H]1N=C=S	1881658686	VEESMZINOCUNDF-RITPCOANSA-N	207.276	-0.099	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CNC(=O)O1	1882700256	KODDTMNDRNRYFJ-RXMQYKEDSA-N	206.629	-0.160	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2CS(=O)(=O)[C@H]2C1	1887071816	KCMZTAYBOLSEOC-QYNIQEEDSA-N	237.708	-0.131	50	10	BBGE	
NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1Cl	1893454335	VZYWGNGFVRTSRK-PRJMDXOYSA-N	218.684	-0.200	50	10	BBGE	
NCc1nc(NC(=O)[C@H]2C[C@H]2Cl)n[nH]1	1893462024	VKGBDHOBYNBFKY-IUYQGCFVSA-N	215.644	-0.171	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@H]1Cl	1893470213	QKEPPSXUPQDPKW-RULNZFCNSA-N	218.684	-0.466	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1895093898	UJNIZHUSWVPRJS-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)C[C@@H]1CF	1896542740	GJRJKTQSCIMOJF-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C#C[C@H](C)N	1902015112	VSJDHDLRGJVJPQ-QMMMGPOBSA-N	247.320	-0.962	50	10	BBGE	
C#CCCOCC(=O)N1CC[C@@H](B(O)O)C1	1902522878	UYWBYJCZDZKQDH-SECBINFHSA-N	225.053	-0.898	50	10	BBGE	
OB(O)c1csc(OCC2=CCCOC2)n1	1905096859	WWCNZAOXTDLZPG-UHFFFAOYSA-N	241.077	-0.452	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)CC(C)(C)C(=O)NN	1907547521	OIWBLPANWVULSA-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	1908899868	RHDJFGOCRRYUFF-QWRGUYRKSA-N	240.351	-0.077	50	10	BBGE	
COC[C@@H]1C[C@H]1COc1cncc(B(O)O)c1	1909212058	BUGVKFMPUXFLIV-IUCAKERBSA-N	237.064	-0.577	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCOCC2)O1	1909809182	UHEBKMSWRDKFGX-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)N1C[C@]2(F)CCC[C@]2(CO)C1	1910219726	AXEKEZNWWIDSOD-RKDXNWHRSA-N	217.244	-0.244	50	10	BBGE	
CS(C)(=O)=NCc1cncc(C(=O)NN)c1	1913523469	XLDLVJRUVBNZIL-UHFFFAOYSA-N	242.304	-0.087	50	10	BBGE	
Cn1cnc(C[C@@H](Br)C(N)=O)n1	1929101482	GKDRYDFUAQKHOK-SCSAIBSYSA-N	233.069	-0.394	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]1CO	1929742859	ZQIUDOOTYRHRNH-SFYZADRCSA-N	201.270	-0.933	50	10	BBGE	
Cc1cc(C)nc(C(=O)NNCCO)c1	1929836863	QLNDCDOTHWRYJD-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
CCCN(CCCO)[C@@H](CC)C(=O)NN	1930055622	IFMDZCCZLSWUIO-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CCO1	1931260390	LUVCLAVQFXFWHC-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
COC[C@@]1(O)CCCN(C(=O)NN)CC1	1931671060	FFINHFGHJCQYGT-SECBINFHSA-N	217.269	-0.567	50	10	BBGE	
NC(=O)NN=C1CC2(C1)CS(=O)(=O)C2	1931804324	QTOLIJKOPFIYLE-UHFFFAOYSA-N	217.250	-0.781	50	10	BBGE	
Cn1nnc([C@@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934445408	HXAZAESSNLNBSN-UHNVWZDZSA-N	236.684	-0.671	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C[C@@H](C)C(=O)NN	1934980693	JRTOLVADXZIKDQ-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)C[C@@H]1O	1935929577	DLCYXVLEYAWUJM-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CC[C@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090613	ZWHWYPGWJLSJGH-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@]1(C2CC2)COCCN1CCC(=O)NN	1936111020	HTXIHRGPCVXEKF-LLVKDONJSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C(=O)[C@@H]1C	1936529592	MRIBNTPAHCCTDI-HTQZYQBOSA-N	229.280	-0.893	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)S1(=O)=O	1937870705	RBQSYNDJXZQRCA-QMMMGPOBSA-N	249.336	-0.429	50	10	BBGE	
CO[C@H]1CCCN(CCOCC(=O)NN)CC1	1941771924	BGQOSTNHCHWYIN-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CSC2)C1	1942552549	NIIXDAYLGQDXDW-UHFFFAOYSA-N	249.144	-0.085	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@H](O)CC[C@H]3C2)CC1	1945883889	HPGBMWQKAJDQSJ-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC1CS(=O)(=O)C1	1954505201	CDICYFHMPIKZNT-ZCFIWIBFSA-N	225.697	-0.083	50	10	BBGE	
C[C@H](Cl)C(=O)C[C@@H]1CS(=O)(=O)CCN1	1955173727	YFYUECPCJMQJQB-NKWVEPMBSA-N	239.724	-0.041	50	10	BBGE	
O=S(=O)(CCl)N1CC(n2ccnn2)C1	1956761612	QVRQJIKTEDRXNY-UHFFFAOYSA-N	236.684	-0.339	50	10	BBGE	
C[C@H](O)[C@H]1CN(C[C@@H](O)CCl)CCO1	1957189180	VLGZYSLVIUBIHH-XHNCKOQMSA-N	223.700	-0.332	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNCCO)C1	1957319477	VUKFRAXWZNLBSW-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
C[C@H]1CCC[C@H]1S(=O)(=O)NCB(O)O	1957403208	CIISKBJFDWORHP-NKWVEPMBSA-N	221.087	-0.894	50	10	BBGE	
CCC[S@](=O)Nc1ccc(B(O)O)cn1	1958187130	ISJUAWSGYUUGLL-HNNXBMFYSA-N	228.082	-0.753	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1[C@@H](C)[C@H]1C	1977236693	DVWZBGYDJPQEAH-UTINFBMNSA-N	229.324	-0.175	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOC2(CC2)C1	1980206034	VCDXIMVWTBRXME-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
COCCn1nnnc1CNC(=O)[C@H](C)Cl	1980591904	DPGLRBFTABERRG-LURJTMIESA-N	247.686	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)c1ccnn1C	1981560521	PYBWYXPGBRPMAA-YUMQZZPRSA-N	225.296	-0.129	50	10	BBGE	
C[C@H](CN(C)CC1[C@@H]2COC[C@@H]12)C(=O)NN	1982259883	DYVXBQJDIJXCQI-JEZHCXPESA-N	227.308	-0.563	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COCC[C@H]32)CC1	1989937067	VNPYRJZTXLPDKM-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
O=C(NCC=CB(O)O)C12CCC(CC1)O2	1991333955	VCWXQYHECVSAPN-UHFFFAOYSA-N	225.053	-0.618	50	10	BBGE	
Cc1nccc(C(=O)NCC=CB(O)O)n1	1991338145	QDPLRKBGYMGGJT-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
O=C(Cl)C=CC(=O)NCc1cc(CO)n[nH]1	1991650734	FFEYJDYAVALMTK-UHFFFAOYSA-N	243.650	-0.160	50	10	BBGE	
CCn1cccc1C(=O)NCC#CB(O)O	1992144992	HFISGRLLOPYBHH-UHFFFAOYSA-N	220.037	-0.747	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2CC[C@@H](O)C[C@H]2C1	1994259375	VXDZBPBCTHKQGC-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H](C)CNC(=O)N[C@@H](CB(O)O)C(=O)O	1998131133	RUEIIUKHCVOXNA-RQJHMYQMSA-N	246.072	-0.742	50	10	BBGE	
COC[C@@H]1CCOCCN1C[C@@H](C)C(=O)NN	1998228778	YUMYTJGEVNTJHO-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CN(C[C@H]1CCOC(C)(C)C1)C(=O)C(=O)NN	1998568790	XCZQXBVWXAXJEZ-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1CCCC(=O)NN	2003813377	NTCXXAXLRFEDII-SNVBAGLBSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCCO1	2004393669	MUSXVSOCAGTHJC-BDAKNGLRSA-N	241.291	-0.464	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1ncc(B(O)O)cn1	2004917436	WJPFJSQBVZCLPG-RKDXNWHRSA-N	233.080	-0.751	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1COC[C@@H]1C	2004933567	JHQBBXNJJMFBLP-WPRPVWTQSA-N	237.064	-0.516	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)CCCF)n1	2005017018	YHZJEXJADARJDH-UHFFFAOYSA-N	241.075	-0.431	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C[C@]12C[C@H](CO1)C2	2018479928	SPHSLSIGISFEKH-SVDPJWKOSA-N	239.319	-0.277	50	10	BBGE	
C=CC1(O)CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2018886059	QFQDTTSJOSNXQV-UWVGGRQHSA-N	239.319	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCO[C@@H]1C	2019208309	HOLNJNWIBYUMTJ-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@@H]1CCOC1	2019604704	GGWNDGXPLNGEAD-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CC(C)n1nccc1C(=O)NCC=CB(O)O	2020068326	QHVQSYCXMIWTQJ-UHFFFAOYSA-N	237.068	-0.238	50	10	BBGE	
C=C(CN(C)[C@H]1C[C@H](OC)[C@H](OC)C1)B(O)O	2021164793	MIIGQIBFLQAPCZ-RTCCRHLQSA-N	243.112	-0.321	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@]12CC[C@H]1C2	2039754925	IJCCNOKRVBXJFM-GXFFZTMASA-N	245.087	-0.217	50	10	BBGE	
Cc1ocnc1C(=O)Nc1cc(B(O)O)ccn1	2042249745	QPDTWTNDKXBZHZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CCN1CCCN(c2ccc(B(O)O)cn2)CC1	2052468726	HUCIUCHIJXANQC-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CCC[C@H]32)n1	2052620035	NTRLIFODLYPHTG-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C3CC3)C2)n1	2052625362	YKCRESDALBJITJ-JTQLQIEISA-N	247.107	-0.299	50	10	BBGE	
O=C(CCn1ccnc1)N[C@H]1CCC=C1B(O)O	2076077572	ZZDOCKZMAOVCIG-JTQLQIEISA-N	249.079	-0.510	50	10	BBGE	
CN(C)c1ccc(C(=O)NCC#CB(O)O)cc1	2077492464	NJEOGIGSCQOLNY-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
Cc1nc(N2CC[C@H]3COC[C@@H]32)ccc1B(O)O	2077847754	ZAFIMMRPRSNPOC-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)ccc1F	2079012643	XKAHASHBBYFWRA-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)c1ncc(B(O)O)c(C)n1	2079405971	QRJXZSWKGJBOKO-UWVGGRQHSA-N	249.123	-0.053	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H](F)C[C@H](Cl)C1	2210710681	WYAOSPWVCSDHFU-BQBZGAKWSA-N	247.661	-0.149	50	10	BBGE	
C#CCN(CCF)c1ncccc1B(O)O	2212615102	JTAVJZQYSLVSHT-UHFFFAOYSA-N	222.028	-0.830	50	10	BBGE	
CN1CCC(COC[C@@H]2C[C@H]2C(=O)NN)CC1	2214843319	NPXJOCMPEBCHLA-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
C=CCOCCN(C)c1ccc(B(O)O)cn1	2217176982	CUZYQUAEGSSAPG-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1c1cc(B(O)O)ccn1	2217178450	WEPXKMLJMBNNIO-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C(F)(F)C23CC3)nc1	2217178610	YGZUFQBOLABBDI-ZCFIWIBFSA-N	241.006	-0.634	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Oc1ccc(B(O)O)cn1	2217184234	NSRLECIIHFZDHK-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCCN2)nc1	2217185377	WEEXYVRDPSDCGG-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CCCCNCCOc1ccc(B(O)O)cn1	2217192826	QATSMXIEOXEJLG-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
COc1cccc2c1CC[C@@H]2NC(=O)C(=O)NN	2223524557	SLUGMDNHEPNOJD-VIFPVBQESA-N	249.270	-0.211	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@H]2Nc1cc(B(O)O)ccn1	2223632229	HHANSVCSVRANSG-MKPLZMMCSA-N	248.091	-0.666	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCCN2)cc1B(O)O	2223647495	AOUQAVIALDNERU-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(O[C@H]2CCC23CNC3)cc1B(O)O	2223653635	SWICVTPELRUZKX-JTQLQIEISA-N	248.091	-0.799	50	10	BBGE	
CN1CC[C@@H](Nc2ccc(B(O)O)cn2)C1(C)C	2223671865	QRGXGPGQAVJABR-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
CSC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2241481126	OYVXOWOLLDQJDA-NKWVEPMBSA-N	215.083	-0.577	50	10	BBGE	
C=C(COC1(C(C)C)COC1)B(O)O	2242121179	WWNFSZZFTARQDA-UHFFFAOYSA-N	200.043	-0.004	50	10	BBGE	
N=c1nnc(=N[C@H]2C[C@H](Br)C2)[nH][nH]1	2242415742	OZBSIWVCRSEZTP-JPYJGEKTSA-N	245.084	-0.561	50	10	BBGE	
O=C(NC1CC(F)C1)c1cscc1B(O)O	2243348860	AZDQDBDJYJIFFV-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)o1	2243362762	WDLZQZDYYWCFPM-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
Cc1sc(C(=O)NC2CC2)c(B(O)O)c1C	2243376007	CDMMKFFMCYHHHM-UHFFFAOYSA-N	239.105	-0.063	50	10	BBGE	
CC(C)CONC(=O)c1csnc1B(O)O	2243378320	QSKSHCCYBJTBIA-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1(CO)CC1	2243381503	GPLPGGSGXITVSS-BIIVOSGPSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)C2CC(B(O)O)C2)C1	2243392224	SDCTWCQJHXQBCP-JECWYVHBSA-N	225.053	-0.366	50	10	BBGE	
COC[C@@]1(C)CCCN1C(=O)C#CB(O)O	2243398673	GQPRXJXGHLPHTL-SNVBAGLBSA-N	225.053	-0.971	50	10	BBGE	
O=C(N1CCOCC12CC2)C1(B(O)O)CC1	2243410560	DGQZKNZKAYWPMB-UHFFFAOYSA-N	225.053	-0.615	50	10	BBGE	
CC[C@@](C)(CO)NC(=O)C1(B(O)O)CCC1	2243411603	XBBJOBLPMSDJSP-VIFPVBQESA-N	229.085	-0.339	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)sn1	2243414499	BYCJGDCNYWUROS-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C=CC(C)(C)CNS(=O)(=O)CC(=C)B(O)O	2243420580	VVOWLQZIZKEDRT-UHFFFAOYSA-N	247.125	-0.314	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cocc1B(O)O	2244214434	RZTYXZKBIRMZRY-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CCCN(C[C@@H](C)O)CC(F)(F)C(=O)NN	2244883476	SYUHRYAJGKALTI-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
N#CC1CN(c2cc(B(O)O)c(Cl)cn2)C1	2245912859	IKZORWSDGIJVNH-UHFFFAOYSA-N	237.455	-0.625	50	10	BBGE	
O=C(Nc1ncco1)c1sncc1B(O)O	2245940354	LYCUWWBOILLZBU-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ccnc(B(O)O)c1	2246746108	ZLJPOLXIXPEYNT-SSDOTTSWSA-N	235.052	-0.613	50	10	BBGE	
CCC1CC(NC(=O)c2coc(B(O)O)c2)C1	2247721887	IOCVKPIIKAVAHH-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CN(Cc1nc[nH]n1)C(=O)C1(B(O)O)CCC1	2247731923	ATLSFLNCQVRFGG-UHFFFAOYSA-N	238.056	-0.840	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1cc(B(O)O)c[nH]1	2247737512	HMJCTIRHOGDKHQ-SECBINFHSA-N	236.080	-0.221	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccoc2B(O)O)[C@H]1C	2247743212	AOJRTYVLYUBBEC-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)N1CCCC1	2247754533	MNCPWLQBSPMTKG-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786659	DUUMEIACZYWWTC-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787390	OKYQFBBULRXECR-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C12CC(CO1)C2	2247798879	XZKTUKVCXWNKSR-UYGVVSCESA-N	239.080	-0.467	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247800953	VJNNEIPDVMZKHU-ZKCHVHJHSA-N	237.068	-0.379	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCC1	2247807464	RFMZKWQRXXUDND-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC2(CCC2)O1	2247847822	BZADSSLGLULNOA-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN(C)C(=O)C#CB(O)O	2247851042	VTJQQIZFMJDRHM-RCWTZXSCSA-N	235.092	-0.248	50	10	BBGE	
CC[C@]1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247858425	DXEPWUMQYALCMD-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CCC1	2247872205	ONIUOQOFYKZQMZ-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1coc(B(O)O)c1	2247872543	UHMVCXLPSQTMNW-QMMMGPOBSA-N	237.064	-0.265	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@@H]1O	2247887875	SMJKCHCUORXHLD-KATARQTJSA-N	241.096	-0.389	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCCC1	2247900302	VQJCEEMEMIIWSP-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
O=C(NCCCNC1CC1)[C@H]1C[C@@H](B(O)O)C1	2247901918	BLTWOQMZJLVBNF-DTORHVGOSA-N	240.112	-0.502	50	10	BBGE	
CC1(C)C[C@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248568162	MVBGXAPNYNWRHE-KORWRZNCSA-N	241.052	-0.781	50	10	BBGE	
CCC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248585340	JVQKFKKHGBZJEC-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](F)C(=O)O	2248587337	OGMPUYDNEQPJAT-DBRKOABJSA-N	247.031	-0.976	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2249346314	NERRKHJRLVLEKL-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
N#CCCCCNC(=O)c1cocc1B(O)O	2249415936	KWBPTOLCZCYZMW-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2cocc2B(O)O)C1	2249416922	YRXLPAVGGQQHJK-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1cc(B(O)O)co1	2249417560	HVXCBBZPDGRTQG-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H](C1)[C@@H]2O	2249560740	OCWUHLVYEUIEKS-IAZYJMLFSA-N	241.335	-0.151	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@@H](C)CN(C)C	2250914506	GPVYKMQCQADIIV-UWVGGRQHSA-N	240.112	-0.906	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C[C@@H]1C[C@@H]1C(=O)NN	2250964837	YFFYNHKHANRYTA-VWYCJHECSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2251726380	JJYXNGUGXGZASE-KXUCPTDWSA-N	240.112	-0.693	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(n2ccnc2)CC1	2255472099	CHORLUBJPCOKQD-UHFFFAOYSA-N	247.063	-0.938	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2255497981	KXCDKVMFHYODBU-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NOCC1CC1	2255509021	GMCCASQDPTYMNH-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(C)c(B(O)O)c2)C1	2255510372	WFNXMLGUOGRZRR-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2CC23CC3)c(B(O)O)c1	2255556893	WTRCVGZACJNNOX-VIFPVBQESA-N	246.075	-0.648	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2255583081	KTNYTQZAXIMZMC-LJGSYFOKSA-N	246.035	-0.460	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC2(CC1)CC2	2255680391	LHTUFWACVRBXKO-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1nccc(C)c1B(O)O	2255688388	VLTRDKFRVOFBGC-SECBINFHSA-N	248.091	-0.284	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@H]1C[C@H](B(O)O)C1	2255772020	ZKZYTPPCKJKSOB-MGCOHNPYSA-N	249.079	-0.105	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)N1CC=CC1	2258086796	VGAPEMJJAHOEMF-UHFFFAOYSA-N	249.050	-0.174	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	2263680670	NPSROAHJKVDEPR-YIKMNZTOSA-N	249.270	-0.827	50	10	BBGE	
O=C(N[C@H]1COC2(CCC2)C1)[C@@H]1C[C@H]1B(O)O	2298371144	AWHIIDIZPJNGGI-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298375987	ADRIWVBKZMGSAV-DOLQZWNJSA-N	238.096	-0.894	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298464077	PTPGDCOOGPEVCC-RULNZFCNSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2302020938	UTTSYDKIKKEPQJ-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
NCC12CC(CCN1C(=O)[C@H]1C[C@@H]1B(O)O)C2	2302050274	PAAUQPCLQMCGTK-QMFGVRBNSA-N	238.096	-0.811	50	10	BBGE	
CC[C@@](C)(CN1CC2(CC[C@H]2O)C1)C(=O)NN	2303426621	PLDKXJCIGCVAJB-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1csc(C)c1B(O)O	2303628716	ZGTUPSHJAXKTRD-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)C2(B(O)O)CC2)[C@H]1C	2304187876	VHGJBDIZPGMYBS-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C[C@H]1C[C@@H]1C(=O)NN	2304250502	DVPCGFZPANSXRB-RCWTZXSCSA-N	241.335	-0.296	50	10	BBGE	
CN1CC[C@@H]1COc1ccc(B(O)O)cc1C#N	2317167549	IUCJDWSMXXJOKK-LLVKDONJSA-N	246.075	-0.679	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@H]1CCN1	2317216704	QAQSYFSYUSQOED-LDYMZIIASA-N	246.075	-0.633	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNCCC(=O)O	2324510739	UNUIFAMTJSNQBH-UHFFFAOYSA-N	225.248	-0.017	50	10	BBGE	
Cc1cccc(F)c1C(=O)NCC(=O)NN	2455296	LIXGJNUIJQVBPC-UHFFFAOYSA-N	225.223	-0.146	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccnc1	82467800	NAZKCNYNGUQAPH-QMMMGPOBSA-N	208.265	-0.108	50	10	BBGE	
CC[C@H]1COCCN1[C@@H](C)CC(=O)NN	82468028	QWXQHZPTHDYPFR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnn(C)c1	82470444	IRUPEPDZTPVHIS-SECBINFHSA-N	225.296	-0.380	50	10	BBGE	
NC(=S)NNC(=O)C[C@@H]1CCCO1	83590840	NHCNZYUVVBGPJM-YFKPBYRVSA-N	203.267	-0.580	50	10	BBGE	
CC1(C)CC(=O)N(CCC(=O)NN)C1=O	83687280	LCDFCLNYOMMJJB-UHFFFAOYSA-N	213.237	-0.849	50	10	BBGE	
NNC(=O)Cn1cccc(Br)c1=O	97911441	TYKMARIGJYXMJU-UHFFFAOYSA-N	246.064	-0.399	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](CO)OC[C@@H]1C	122380667	JOLWTBFNSHMHHX-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
O=C([C@H]1CCCCN1)N1CCC[C@H]1B(O)O	195895823	YCLNNZMXERPEFT-BDAKNGLRSA-N	226.085	-0.869	50	10	BBGE	
Cn1ncc(B(O)O)c1Cc1ccccc1	217616609	NWTHBRAKRNFBIW-UHFFFAOYSA-N	216.049	-0.309	50	10	BBGE	
OB(O)c1ccc([C@@H]2CCCNC2)nc1	238645365	PANCBELMTHUANW-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
OC[C@H](Br)[C@@H]1O[C@@H]1[C@@H]1CO1	238700062	IUTRBRPRCFYGAG-OMMKOOBNSA-N	209.039	-0.092	50	10	BBGE	
CN(N)C(=O)[C@H](N)CC1CCOCC1	259008343	HLVIYFDYBXAGIL-MRVPVSSYSA-N	201.270	-0.538	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)CC(N)=O	266794583	CXYLBQOTRTXXBB-UHFFFAOYSA-N	215.253	-0.555	50	10	BBGE	
NNC(=O)CCCCCn1ccncc1=O	304554843	GALHQIDZTTUMBI-UHFFFAOYSA-N	224.264	-0.206	50	10	BBGE	
O=C1N[C@@H]2[C@@H](O)[C@@H]1C[C@H]2Br	306311943	ZBBRHTADBLAAFF-QTBDOELSSA-N	206.039	-0.371	50	10	BBGE	
C[C@@H]1[C@@]2(CCS1(=O)=O)CC(=O)OC2=O	306834004	QMGSQQDXMDDHGL-SVGQVSJJSA-N	218.230	-0.347	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	321340553	BMFHICGRVMKGQJ-XLPZGREQSA-N	231.321	-0.819	50	10	BBGE	
CCOC(=O)/C(C=O)=C/NC(N)=S	383957682	CDCPBLSHDIHGKK-HWKANZROSA-N	202.235	-0.535	50	10	BBGE	
CC1(O)CN(Cc2ccc(C(=O)NN)cc2)C1	384030767	GELVHXUYQSCTQQ-UHFFFAOYSA-N	235.287	-0.143	50	10	BBGE	
Cc1ccc(OCc2cnn(C)n2)c(B(O)O)c1	386792451	LOEALCVKFDRVBP-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
OC[C@@H]1CSCCN1C[C@H](O)CCl	388003084	GJERZJBNUPUUOT-HTQZYQBOSA-N	225.741	-0.004	50	10	BBGE	
C[C@@H](CN1C[C@H](O)C(C)(C)C1)C(=O)NN	388188137	ORWDFQSOSNFIEP-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	398883176	XSYLVMXYLXVRPL-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CC1CN(C(=O)c2cc(B(O)O)ccc2F)C1	584983315	QCXUCOFVONQNMW-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
CO[C@@H]1CC[C@@H]2NC[C@@H](Cl)C(=O)[C@H]2N1	605704951	JIDJCKNAQIPSOB-CWKFCGSDSA-N	218.684	-0.141	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687259320	JGNMRYHIVQDRKR-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(N)=O	700876880	NEIBPLMFTZFTNY-RXMQYKEDSA-N	230.268	-0.763	50	10	BBGE	
CCO[C@H]1CCN([C@@H](C)C(=O)NN)C1	701693087	NFTGCQJGVSENKA-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	701949977	FOMHYRBYEFYATC-RQJHMYQMSA-N	231.252	-0.796	50	10	BBGE	
CC[C@H](O[C@@H]1COC[C@@H]1C)C(=O)NN	703542190	DLJAUKSZGWEHJK-BIIVOSGPSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H]1CN([C@@H](C)[C@H](C)C(=O)NN)C[C@H]1CO	708079189	DBKJGBKROPVMER-KATARQTJSA-N	229.324	-0.439	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710479957	WAPYUOGIWDQPHQ-JQCXWYLXSA-N	213.281	-0.790	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)[C@H](C)C(N)=O	711209670	XSDUFILWPNCBAM-CRCLSJGQSA-N	235.671	-0.345	50	10	BBGE	
CCN(C(=O)C(=O)NN)C1CCOCC1	716482490	OCPYZMYRFUEYAN-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	787947223	NERBHPAJTVNBMP-BWZBUEFSSA-N	242.275	-0.528	50	10	BBGE	
COC(=O)CNC(=O)NN=C1COCC1(C)C	834974223	WBRSNKKXAJPKDH-UHFFFAOYSA-N	243.263	-0.129	50	10	BBGE	
CCO[C@@H]1COCC[C@@H]1CC(=O)NN	870852747	MOMZSVWFVRFWRL-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@]1(C)CCC(=O)NC1	910150054	LXFBDWAQOUZRKS-LDYMZIIASA-N	243.307	-0.754	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)C1CC1	919926588	YZDLBODVQIJMBB-UHFFFAOYSA-N	230.264	-0.403	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1cccn2nnnc12	1135308345	BHIKZOJNOVYKSS-UHFFFAOYSA-N	246.230	-0.705	50	10	BBGE	
OB(O)c1cscc1CN1CCCO1	1231946777	XFIRBPGCSBHUNB-UHFFFAOYSA-N	213.067	-0.435	50	10	BBGE	
OB(O)c1cscc1CN1CC2(CCO2)C1	1231949008	AFMIQYILMCYZJL-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
Cn1cc(C=NNC(=O)Cc2ccccn2)nn1	1253647312	XRPVQHDYQFQBJQ-UHFFFAOYSA-N	244.258	-0.097	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)c1ccnnc1	1469120178	JCGNHWRHJHLFFS-UHFFFAOYSA-N	236.231	-0.847	50	10	BBGE	
NC(=O)CC(=O)NNc1ccc(F)cn1	1471711451	AJQPNZNTSVCPSD-UHFFFAOYSA-N	212.184	-0.461	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H](C)C1(C)CC1	1521261972	YEYJJQDAKVVYEC-ZCFIWIBFSA-N	243.263	-0.322	50	10	BBGE	
CCCNC(=O)NNC(=O)CN1CCOCC1	1597915386	OUDGASZNLNAIQG-UHFFFAOYSA-N	244.295	-0.941	50	10	BBGE	
Cc1nocc1NC(=O)c1ccc(B(O)O)cc1	1639579343	BFSISLWPHQYKFF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C/C(C#N)=C\Cn1nc(C(N)=O)ccc1=O	1651794819	VJHMAYQMNPBEMA-QPJJXVBHSA-N	218.216	-0.188	50	10	BBGE	
Cc1cc(NNC(=O)c2nnn(C)n2)nc(C)n1	1654346764	CJRHVYGCRIKAFZ-UHFFFAOYSA-N	248.250	-0.626	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1Br	1877410086	NHCAKXQYCFWFCV-PBXRRBTRSA-N	247.092	-0.144	50	10	BBGE	
O=C(CCCCl)NCC(CO)CO	1882210155	NOFCMULOQWKKFG-UHFFFAOYSA-N	209.673	-0.278	50	10	BBGE	
N#CCNC(=O)CNC[C@@H]1C[C@@H]1Cl	1883551966	LJNPNWSXGAVYRQ-BQBZGAKWSA-N	201.657	-0.157	50	10	BBGE	
C[C@](O)(CO)CNC(=O)[C@@H]1C[C@@H]1Cl	1883633719	BENHADZTSMZQBD-GKROBHDKSA-N	207.657	-0.527	50	10	BBGE	
CCn1nnc([C@@H](Cl)C(=O)NC)n1	1883717250	KOPVGOZXHOUIPM-SCSAIBSYSA-N	203.633	-0.281	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H]1CF	1885914457	DIOZXTXUWQLZCJ-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(F)CNC1	1893410073	FEXBZVXGFURQRO-UHFFFAOYSA-N	220.631	-0.264	50	10	BBGE	
O=C(O)C[C@@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1893454368	WIEACHMBIILKGV-NGJCXOISSA-N	221.640	-0.435	50	10	BBGE	
C=CC[C@@H]1CCC[C@H]1NC(=O)C#CB(O)O	1900366918	JXCBGDFUFGPRPH-NXEZZACHSA-N	221.065	-0.137	50	10	BBGE	
CC(C)=C(CN1C[C@H]2COC[C@H]2C1)B(O)O	1901633206	QERUPYTYOARBHQ-AOOOYVTPSA-N	225.097	-0.087	50	10	BBGE	
CC(C)=C(CN1CC[S@](=O)[C@@H](C)C1)B(O)O	1901703199	UKFYCIARUYOTSU-FVMDXXJSSA-N	245.153	-0.212	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1CSCCO1	1902521795	KGBZJPPLSZMGMY-XHNCKOQMSA-N	246.332	-0.239	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914010850	LXZSJVJLSDYGFQ-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H]1CCN(Cc2ccc(B(O)O)cc2)[C@H]1C	1914308642	KUBAKJVERFCUTI-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCOCC2)C1	1915589874	KGOUXCKSRHIQAT-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)C(F)(F)F)CCCN1	1923383478	UMRDNCXFYZIUHO-ZETCQYMHSA-N	239.197	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@@H]1CCCO1	1927917079	INVAPJOSYQZDKJ-HRDYMLBCSA-N	214.265	-0.192	50	10	BBGE	
NNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@H]2C1	1928035293	RTFMFPVLPLFOEX-BQBZGAKWSA-N	233.293	-0.921	50	10	BBGE	
CC1(C)COCCN(CC(=O)NN)C1	1928483534	VOTCNHZWDSLPID-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
O=C(Cn1cncn1)NCCOCCCl	1928692308	NECFEPJQIASORQ-UHFFFAOYSA-N	232.671	-0.350	50	10	BBGE	
CS(=O)(=O)N[C@H]1COC[C@@H]1CCl	1928749385	SKICEDQFHSDOEA-WDSKDSINSA-N	213.686	-0.211	50	10	BBGE	
Cn1nnnc1N1CC(OCCCl)C1	1932102441	RMXRJXUBSHHDCE-UHFFFAOYSA-N	217.660	-0.346	50	10	BBGE	
O=C(CCCl)NC[C@@H]1COC[C@@H]1O	1933390468	WPCMCUHLSOXOJJ-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
COC(=O)CS(=O)(=O)N1CC[C@H](Cl)C1	1934091798	LDUUEKQOFLKNKW-LURJTMIESA-N	241.696	-0.198	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1935707250	SEADBIMODIEMJX-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCc2nc[nH]c2C1	1936029289	OLWFJXNXYKQMCJ-RXMQYKEDSA-N	239.304	-0.621	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@@H]1C[C@@H]1C(=O)NN	1936082409	FENZACMUDNHEHR-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1OCCN(CCOCC(=O)NN)[C@@H]1C	1936527996	DIIMLKUQNCOPKT-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=O)[C@H]1CCCOC1	1937709139	PYEUFPAHRQTMDI-NKWVEPMBSA-N	231.252	-0.873	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@@H](C)O1	1941771873	AMKJLKQELJKZDJ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H](O)[C@@H](F)C2)c1	1944306872	FINPXGDCBIYAIM-IUCAKERBSA-N	243.238	-0.602	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC2(CCC2)C1)C(=O)NN	1946084368	SENWBCIYLAVHBJ-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1947072617	LEYNOAZWGJMOPS-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](OC)[C@H]1C	1949600978	IXYYZISFIAVMBZ-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC(Cl)C1	1953706109	PZMBYVLMNOHKAU-UHFFFAOYSA-N	211.670	-0.519	50	10	BBGE	
OC1[C@H]2C[C@@H]1CN(C[C@H](O)CCl)C2	1954106581	SQKPMRRLECXRRN-OBCZXFEGSA-N	205.685	-0.101	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@@H](CO)CO1	1955106217	JMHWILBMCUNNRD-BQBZGAKWSA-N	243.712	-0.501	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2ccc(B(O)O)n2)C1	1957977138	CQWRWFHHCIRTLY-DTWKUNHWSA-N	208.070	-0.001	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	1976399290	QLQSFNKDIFMFEJ-SQQIUAQRSA-N	225.292	-0.669	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](c2nccs2)C1	1981109343	DPEFPHYEMZRQIN-SSDOTTSWSA-N	242.304	-0.494	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCCC2)n1	1981468360	ANXVMYHZDAVRTD-UHFFFAOYSA-N	221.069	-0.627	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC2(C)C)n1	1981469633	VZWXKNLRRXIXDB-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
N#CC1CN(Cc2cnsc2C(=O)NN)C1	1981730883	XFKOXKPCHWUUIG-UHFFFAOYSA-N	237.288	-0.298	50	10	BBGE	
CCN(CCC(F)(F)C(=O)NN)C1COC1	1984129644	HFAAQSGZEJCCTK-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](C)C(F)F	1986282386	QBXYFQCOZBEGQF-RQJHMYQMSA-N	239.266	-0.176	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCCc2nccn21	1986969385	HGRWKQBUBXJYHF-ZCFIWIBFSA-N	223.236	-0.540	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(CCO)C1	1987908186	UJDFRAPSJCDFEE-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
C=C(CN1CCO[C@@H]2COCC[C@H]21)B(O)O	1992160529	XSFZSQKZRBHARU-NXEZZACHSA-N	227.069	-0.956	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2COC[C@@H]21	1992337760	KBAYFDCVBQHKNF-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996730890	CLQSMTCZQOMJMV-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
CCCNC(=O)C1CN(C[C@H](C)C(=O)NN)C1	2002652598	BGEZJGMGZIVPQO-QMMMGPOBSA-N	242.323	-0.930	50	10	BBGE	
Cn1ccnc1[C@H]1CCCN1C(=O)C(=O)NN	2004408623	YPNMZFMRJWBCRE-SSDOTTSWSA-N	237.263	-0.927	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)c2ncncc2B(O)O)C1	2004917484	WPLVOQBCNZUJJX-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(OCCOC(C)C)ccc1B(O)O	2004936015	TUBICTVGNVNRQH-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1ccncc1B(O)O	2004950179	BWUZPRSKCQLBON-GZMMTYOYSA-N	237.064	-0.435	50	10	BBGE	
Cc1cnc(N2CCCCCO2)c(B(O)O)c1	2005017916	LZCUEGDMGZKGGK-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(C1)CC(C)(O)C2	2011900639	NGGYGMHBHCZERR-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
Cn1cnc2cccc(NC(=O)C(=O)NN)c21	2012296132	LTCMOLFETVYZNW-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
OB(O)c1cncnc1-n1ccnc1C(F)F	2013054645	PTPKSKJUFNVWNC-UHFFFAOYSA-N	239.978	-0.720	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(F)C2	2017203883	WMZLGXNLUNMCNT-GUBZILKMSA-N	245.298	-0.044	50	10	BBGE	
C=C[C@@]1(CO)COCCN1[C@@H](C)CC(=O)NN	2022249277	FNOMJJAEKOCZJE-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OCCCO)C1	2026096950	SPUOVHFUIGIZIP-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
Cc1cc(C)n(CCCn2cc(B(O)O)cn2)n1	2050381168	QXDKVDLUWYKDKT-UHFFFAOYSA-N	248.095	-0.533	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2COCC[C@@H]21	2052467803	VLVBLWJSESZWKZ-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CN(Cc1cccnn1)c1ccc(B(O)O)cn1	2052467955	XGFVABFFCKLHQY-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1cnc(N2CC[C@H]2CN(C)C)c(B(O)O)c1	2052627646	OUUKOUTUVAKFDD-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCc1cc(OC)c(B(O)O)cc1[N+](=O)[O-]	2060062378	ZJYOPSGIVKSUNF-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CS(=O)(=O)[C@@H]1CN(C(=O)NN)C2(CCC2)C1	2210488974	FSHIYQFGSSLWQC-ZETCQYMHSA-N	247.320	-0.389	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212602443	DONFPKKDFMCKAW-DIYOJNKTSA-N	218.065	-0.028	50	10	BBGE	
O=C(NNCCO)c1cccc(O)c1C(=O)O	2214866223	FLFBCGVGFMSPSW-UHFFFAOYSA-N	240.215	-0.683	50	10	BBGE	
CC(C)[C@]12CO[C@](CNC(=O)C(=O)NN)(C1)C2	2216371535	HVRZJMCJVIAAMS-XYPYZODXSA-N	241.291	-0.702	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H]2CO)CCC1	2216493940	OZIZCTNBBCGKJJ-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)ccn2)CCC[C@H]1O	2217174117	WFCWUJHQIPVLDE-KOLCDFICSA-N	236.080	-0.523	50	10	BBGE	
CO[C@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217176025	QLDFAJHEVYBZED-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccc(=NC2CC2)[nH]c1C(F)(F)F	2217179499	LJKXMZAZLUCGEI-UHFFFAOYSA-N	245.997	-0.224	50	10	BBGE	
CCC[C@H](O)CNc1cc(B(O)O)c(C)cn1	2217181011	WXRKTYRQXOBFCB-VIFPVBQESA-N	238.096	-0.357	50	10	BBGE	
CCOC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2217183060	IUWSNGZKFJVJJF-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
C#CCCN(CC)c1nccc(B(O)O)c1F	2217184599	QGHNPDZNJWJKAR-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
Cc1cnc(N2C[C@H](F)[C@H](F)C2)cc1B(O)O	2217184751	VXXIOECFNYBBAG-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@H]1CCCN1	2217188159	KMIUMKUNCQWFQN-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
NCC1(F)CC(Nc2cc(B(O)O)ccn2)C1	2217199603	NPVVHKCHXCQTJB-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1Cc1cccc(B(O)O)c1	2220063986	VINCMCJBRRVIDJ-MFKMUULPSA-N	248.135	-0.322	50	10	BBGE	
N#Cc1cccn(C[C@H]2CC[C@H]2C(=O)NN)c1=O	2221566906	LXPASEABMQKISL-NXEZZACHSA-N	246.270	-0.264	50	10	BBGE	
Cc1cnc(NCc2n[nH]cc2C)cc1B(O)O	2223642473	JNEYLRMERAJNQU-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
OB(O)c1cnc(SC[C@H]2CCCN2)nc1	2242853772	LYYAPIDWAJWIOC-MRVPVSSYSA-N	239.109	-1.000	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1[C@H]2C=CC[C@H]1CC2	2243356201	CSBLMOSXGRDSKC-QXEWZRGKSA-N	219.049	-0.527	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCC(F)(F)C1	2243357219	SYPAFGFCZLQFOF-ZETCQYMHSA-N	231.007	-0.304	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)[C@H](C)CCO1	2243357304	URRWYHMOWHTYPG-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
C=C1CCN(C(=O)c2ncsc2B(O)O)C1	2243358350	FUSAGLPXHSUYSY-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
O=C(NC1CC=CC1)c1occc1B(O)O	2243359409	SJGWDQUCLOYWLK-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc(Cl)c1	2243362015	KSDXCVMRZBGSBZ-UHFFFAOYSA-N	237.451	-0.028	50	10	BBGE	
CCCNC(=O)c1c(C)cccc1B(O)O	2243375180	PRXBRAXJILDKSV-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
COC[C@H](C)[C@H](C)NC(=O)C1(B(O)O)CC1	2243411327	RJVMLLWBEZAKIG-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
O=C(NCCCOC(F)F)[C@H]1C[C@@H]1B(O)O	2243427064	PQAOQEALPRSUKE-WDSKDSINSA-N	237.011	-0.405	50	10	BBGE	
NNC(=O)CCOc1cccc(CCO)c1	2243585275	YYLIJFHROJKTRO-UHFFFAOYSA-N	224.260	-0.020	50	10	BBGE	
C=CC[C@]1(CO)CCCN1[C@@H](C)C(=O)NN	2244836598	HWVHPTBQAYELIT-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C[C@H]2C1	2247742626	RMJLWADCWHFSMF-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCNCC1	2247759286	ZRFGXFLFANSDQW-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)cn1CC	2247760620	KXTYEUWWGXAEFR-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncc[nH]1	2247785576	NCCHKMGNYQANTB-BIIVOSGPSA-N	237.068	-0.160	50	10	BBGE	
Cc1cc(C(=O)NOCC2CC2)oc1B(O)O	2247789206	RNILXXYOEPACFX-UHFFFAOYSA-N	239.036	-0.661	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2247791607	NPURMXXSVJRISV-BIIVOSGPSA-N	243.068	-0.837	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCCNC1	2247805782	CMOJSGOILOILFL-AMUVOQDHSA-N	240.112	-0.502	50	10	BBGE	
CN(C)C1CC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806963	PGVGAMGQXNAQLA-BMNUFHGDSA-N	240.112	-0.694	50	10	BBGE	
CC(C)CN(C)C(=O)c1cncc(B(O)O)c1	2247869270	ORTCCZVMURZXDG-UHFFFAOYSA-N	236.080	-0.511	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cccc(F)c1B(O)O	2247870702	OKGDBSOENILRSE-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CCOC(=O)CCCNC(=O)C1(B(O)O)CC1	2247878177	MASHKKDGXHGTLV-UHFFFAOYSA-N	243.068	-0.547	50	10	BBGE	
C=C(C)CNC(=O)c1ncc(B(O)O)cc1F	2247879130	RBSFBZBWZRCGPC-UHFFFAOYSA-N	238.027	-0.794	50	10	BBGE	
CC[C@H](NC(=O)c1c[nH]nc1B(O)O)C(C)C	2247893685	WGJGGZRRWUVGMR-QMMMGPOBSA-N	239.084	-0.746	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]2C[C@@H]21	2247895366	RKJAZZNWQRVKHR-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
COC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900204	UXZXVNUXEPGKJB-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC(N)CC1	2247900493	XIGAQOGWFHRXJS-YDYPAMBWSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1C(=O)C1CC(B(O)O)C1	2247911101	SUKGTXFQRJDZKR-XHHQTKHESA-N	240.112	-0.552	50	10	BBGE	
CC(C)(C)N(CC(=O)O)C(=O)C1(B(O)O)CC1	2248585453	LQAMPUTZGLQOHT-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
CC(C)[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2248587434	PJKAEUXCYLGMGD-BIIVOSGPSA-N	243.068	-0.583	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](C)CC(=O)O	2248589595	RULFDNGDJVGHSU-PRJMDXOYSA-N	243.068	-0.439	50	10	BBGE	
CC[C@H]1NCC[C@H]1Oc1ncccc1B(O)O	2251025103	LYJCUJVARAPUTN-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CNCC1(C)C	2251543222	RAKJJFYZFROAQW-HLTSFMKQSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1c1cccnc1	2255466967	GWGLDOHHMJQXPR-LLVKDONJSA-N	244.059	-0.240	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(C)cc1B(O)O	2255509194	JFFOAOZMQLHXMT-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cccc(C)c1B(O)O	2255731070	ZOOHJVXNOBHMDR-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC[C@@H]3C[C@H]32)c1	2261370301	QSOHUTWZOXMURE-MWLCHTKSSA-N	247.107	-0.733	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368696	SPWUWNZMSHGATH-XAVMHZPKSA-N	241.096	-0.485	50	10	BBGE	
CN(C[C@@]1(F)CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369159	LDRCGGNCZJAVTO-WEDXCCLWSA-N	245.059	-0.564	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O)[C@@H]1C[C@H]1B(O)O	2298371705	SJMDQJHFLPVMBY-IHICSVBISA-N	239.080	-0.875	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371845	XPHMCBUHOVWTGA-ZYUZMQFOSA-N	241.096	-0.410	50	10	BBGE	
O=C(NC1C[C@@H]2COC[C@H]2C1)[C@@H]1C[C@H]1B(O)O	2298376239	OAUZITNHRINLLJ-KHUVANEUSA-N	239.080	-0.610	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2C[C@H]1CO2	2300382991	BRTAZVVTKXIQQH-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)CCOC[C@@H]1COC2(CCC2)CO1	2301334654	ZIJMJQGSDIOSLX-SECBINFHSA-N	244.291	-0.279	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1cc(B(O)O)c(F)cn1	2303847524	KHQMIBNXGRNFAB-LURJTMIESA-N	242.059	-0.528	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCCOC2)ncc1F	2303851239	ANTQFRTWDBWKTG-SSDOTTSWSA-N	241.027	-0.542	50	10	BBGE	
CC(=O)N(C)C1CN([C@@H](C)CCC(=O)NN)C1	2307908639	QPYKFMGWQHCHDJ-QMMMGPOBSA-N	242.323	-0.693	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)c1ncccc1B(O)O	2309865044	ROPNTDOLXVLQAS-QXEWZRGKSA-N	248.091	-0.768	50	10	BBGE	
C[C@@H]1CNC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317167570	JBUGTAIYYXCIHT-PELKAZGASA-N	245.091	-0.742	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)C(C)(C)N	2317208521	YVXHZUKACSCEMN-QMMMGPOBSA-N	248.091	-0.257	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCC1(N)CC1	2317216239	LJZSULJQUZLPCI-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
COCCCNC(=S)NNC(=O)C1CC1	7061680	OXDWSIBGUGLSGQ-UHFFFAOYSA-N	231.321	-0.072	50	10	BBGE	
CCNC(=O)C(=O)N/N=C/c1ccc(O)cc1	7812978	VNHRYKFNEONYOD-NTUHNPAUSA-N	235.243	-0.022	50	10	BBGE	
COCCN(CCOC)C[C@@H](C)C(=O)NN	58862179	LXGGAKJAHYAXPS-SECBINFHSA-N	233.312	-0.793	50	10	BBGE	
CSC[C@H](C)CNC(=O)C(=O)NN	69016444	BZGFCCXETFUOJB-RXMQYKEDSA-N	205.283	-0.908	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1COc2ccccc2O1	70193586	NUPSDRLVUVFWIC-MRVPVSSYSA-N	237.215	-0.474	50	10	BBGE	
Cc1ccc2c(c1C)N(CC(=O)NN)C(=O)C2=O	70941881	XQZACHBOLJXQGL-UHFFFAOYSA-N	247.254	-0.177	50	10	BBGE	
CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NN	82473193	AMLNRVQNDZROQK-BYPYZUCNSA-N	243.292	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598449	KMRSMIHRIJLNDU-IZJGZUANSA-N	227.308	-0.257	50	10	BBGE	
CNCCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	87472912	VWURINZXMXVAKJ-BDAKNGLRSA-N	216.329	-0.458	50	10	BBGE	
NNC(=O)c1ccc(Cn2cnccc2=O)o1	111403026	LGINADVJDLKDBS-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
COCCN(CCO)C[C@@H](O)CCl	124049251	LVDHDBNUKHDPKK-QMMMGPOBSA-N	211.689	-0.473	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125793914	HJIWVFPWSMZCCW-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COCC(F)F)O1	131007826	FKVJAOXPFVHFRN-NTSWFWBYSA-N	224.207	-0.194	50	10	BBGE	
CN(C)NC(=O)N1CSC[C@H]1C(=O)O	149069438	ARYDNVCZBLUOID-YFKPBYRVSA-N	219.266	-0.368	50	10	BBGE	
CC(=O)N[C@@H]1CCN(C[C@H](O)CCl)C1	160337593	HIUNFGYLHVXXEK-RKDXNWHRSA-N	220.700	-0.204	50	10	BBGE	
COC[C@@H]1CCN(Cc2ccc(B(O)O)cc2)C1	203525276	XEEBWOJTAKOIOO-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
COc1cc(B(O)O)c(F)cc1C(=O)O	205488952	QVTFPYXYFIGPTD-UHFFFAOYSA-N	213.957	-0.788	50	10	BBGE	
COc1ccc(COC2COC2)cc1B(O)O	218891841	DXUJGDBIQJRNQR-UHFFFAOYSA-N	238.048	-0.710	50	10	BBGE	
OB(O)c1cc(Br)ncc1O	238615684	PCYRTNSXYVMBIK-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCC[C@H]2C1	251514473	ISSVBHZVKWENRX-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CO[C@]1(CN=C=O)CCS(=O)(=O)C1	257896989	VGKGBPAXFVAQJG-ZETCQYMHSA-N	205.235	-0.474	50	10	BBGE	
NC(=O)NNC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	300374352	ONZVVHNOYDPXMJ-AXMZGBSTSA-N	209.249	-0.022	50	10	BBGE	
O=C1[C@@H](Br)CNC[C@H]1[N+](=O)[O-]	306286193	KIQVKMLNAGWHKX-IUYQGCFVSA-N	223.026	-0.433	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](C)OC	308478086	FNJMFHQRLCPMQO-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
COCCOCC(=O)N[C@H]1COC[C@H]1Cl	323416625	XGEFOOUCPLHHRY-SFYZADRCSA-N	237.683	-0.228	50	10	BBGE	
COCCSCCOCC(=O)NN	382023271	RDGCHVCSLAAVFR-UHFFFAOYSA-N	208.283	-0.628	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C\B(O)O)[C@@H]2OC(C)(C)O[C@@H]21	393828715	HISPYFKZAYAYFO-ARXZKTSRSA-N	244.052	-0.554	50	10	BBGE	
COc1ccnc(B(O)O)c1C(F)(F)F	396117334	FXNUFORQWYNVEG-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](NC(=O)C(=O)NN)[C@H]1C2	399653980	CPZFLHXTQAQCQQ-XLPZGREQSA-N	225.292	-0.083	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C2CC2)C1	400132472	SUCMUYGWLPQVPT-ZJUUUORDSA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)C(=O)NN)CO1	401414308	SZTRQHZRMMVVNW-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
NC(=O)NNC(=O)CC[C@H]1CCOC1	401516223	LDVTXTZTUMBAFQ-LURJTMIESA-N	201.226	-0.497	50	10	BBGE	
O=C(Cc1cc[nH]n1)Nc1cccc(B(O)O)c1	404972498	RLRRVYHBPJVHQN-UHFFFAOYSA-N	245.047	-0.729	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2CCCO2)cc(B(O)O)c1	405029645	OGEGGGVGFOUGSX-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)n2)no1	405037414	UHMKVTPORZYTMU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(NC(=O)N(C)C)ccc1B(O)O	405148928	PJXAUNWYZYIQOL-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
Nc1c(C(F)(F)F)nn(C2CC2)c1B(O)O	584880768	IKHCRBVVNLVBIQ-UHFFFAOYSA-N	234.974	-0.501	50	10	BBGE	
O=[S@](Cl)[C@@H]1CS(=O)(=O)C[C@H]1O	675067956	LIOZNXLVWTTWRE-SGTYWVLOSA-N	218.683	-0.953	50	10	BBGE	
CCCCOCCn1ccc(B(O)O)n1	694266772	ARMSKYZLNJAQHZ-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Cl	697200950	LKXITNPCNNCQRW-PHDIDXHHSA-N	229.671	-0.091	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](N2CCC2)C1	702305339	LCKTZXBXMHTPBQ-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
COCCN(CC(=O)NN)C1CCOCC1	716488986	GGLSUKCASSFNGA-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
Cc1cc(NC(=O)COC2CC2)ccc1B(O)O	716969037	ZCGWMDQDCLXNHC-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721778247	PMKBLVVIPVFOEV-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN2CCC1CC2	722805702	BEOCDFBCLLSWHK-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CCN1CCN2CCC1CC2	722806894	RLAAZCMFBOOXMR-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
C[C@H]1CC(Cn2cc(B(O)O)cn2)C[C@H](C)O1	725126879	VQJDRQVZUARSKS-IUCAKERBSA-N	238.096	-0.234	50	10	BBGE	
[N-]=[N+]=NC[C@H]1[N]SC(C(=O)NN)=N1	725606413	OBJQJWBFYOVTLY-UWTATZPHSA-N	200.207	-0.723	50	10	BBGE	
C[C@@](O)(C(=O)NNC(=O)[C@H]1CCCO1)C1CC1	817213735	BFROCILQAQTCBS-KCJUWKMLSA-N	242.275	-0.526	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	844279378	NNBHDARVMFXOAC-IWSPIJDZSA-N	237.259	-0.483	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC(=O)N1)c1ccccn1	862751657	KPCIQXJTOOYWHV-QMMMGPOBSA-N	234.259	-0.172	50	10	BBGE	
Cc1ccnc(NNC(=O)[C@@H]2COC(=O)N2)c1	863895330	SNIBDGADAJOAOM-ZETCQYMHSA-N	236.231	-0.058	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1nnc(C)n1C	912676494	AMQSKZMLTMCRIY-MJSGSUOKSA-N	225.252	-0.496	50	10	BBGE	
N#Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)co1	1118975373	NJSXTSATBNKVFE-MRVPVSSYSA-N	234.020	-0.160	50	10	BBGE	
O=C1C[C@@H](CCNS(=O)(=O)CCl)CN1	1262192560	JTECLJPROPKQFI-ZCFIWIBFSA-N	240.712	-0.372	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)CCCl	1277511006	HZEUDNFSOYCRJE-OCAPTIKFSA-N	238.740	-0.057	50	10	BBGE	
CC(CCO)=NNC(=O)c1cn(C)nn1	1327658346	GYVDRSAUVRSCJS-UHFFFAOYSA-N	211.225	-0.697	50	10	BBGE	
Cc1nccc(C(=O)NNC(=O)c2cc[nH]n2)n1	1453301381	CEQYOHIGYCKQAR-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(C#N)n1C	1464483974	HXIQGIKCGVRAIJ-UHFFFAOYSA-N	235.247	-0.139	50	10	BBGE	
CN(NC(=O)c1nc[nH]n1)c1ccccn1	1557551591	TYIXJYROJQPGNH-UHFFFAOYSA-N	218.220	-0.019	50	10	BBGE	
Cn1ncc(OCc2ccccc2)c1B(O)O	1857790023	CCDNHGXPQVXLJA-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
O=C(NCC(CO)CO)[C@@H]1C[C@@H]1Cl	1883638412	FWIRVDBMUAUJLY-RQJHMYQMSA-N	207.657	-0.669	50	10	BBGE	
CS(=O)(=O)[C@H](C(=O)N=C=O)C1CC1	1886835204	ZYNIISGDOANEJH-LURJTMIESA-N	203.219	-0.328	50	10	BBGE	
O=C1NC2(CO1)CN(C(=O)CCl)C2	1893451332	LIBKEEJPOZMHQE-UHFFFAOYSA-N	204.613	-0.454	50	10	BBGE	
CN(C)CCONC(=O)/C=C/C(=O)Cl	1893498399	SQMGATQHLWLJIF-ONEGZZNKSA-N	220.656	-0.083	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	1896928646	LSIQPXFKHXTUHF-OAHBRNHXSA-N	223.276	-0.473	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1902091141	HUAIYCRFQCRDSP-GUBZILKMSA-N	229.324	-0.439	50	10	BBGE	
CCC#CC(=O)NCc1ccc(B(O)O)s1	1902335078	LYQNYBZDRVWJSP-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@H]2COCCCO2)C1	1902518549	UKECTMWNFWLGBM-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
CC[C@@](C)(CN1CC([C@@H](C)O)C1)C(=O)NN	1902716793	XARVOHRAQJLLKC-KCJUWKMLSA-N	229.324	-0.295	50	10	BBGE	
COC[C@]1(C)CC(=O)N([C@@H](C)CC(=O)NN)C1	1906948444	PGUYKDAZARWHKR-GZMMTYOYSA-N	243.307	-0.360	50	10	BBGE	
COCC1CC(OCCC(=O)NN)C1	1906956175	SEHCDJMNBZDPAC-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1ncccc1B(O)O	1907076193	BZXJTMOEETYOJI-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
CN(C)NC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@@H]21	1907903928	XZCWGDQGSNNXNA-FXQIFTODSA-N	243.263	-0.511	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926422462	USOXDEFBMKLRBM-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCOCC1	1928157490	RAOIYPGDWSREHK-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1930235984	UDYWEPSWTHJZQN-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
COC[C@]1(O)CCN(C(=O)CCl)C1	1931627656	KIALZRXNNFGHQZ-QMMMGPOBSA-N	207.657	-0.165	50	10	BBGE	
CC(CO)(CO)N1C[C@@](C)(CCl)C1=O	1931735635	AYSVJOGHGAZERP-MRVPVSSYSA-N	221.684	-0.183	50	10	BBGE	
CC1(C)CC(=O)N(CC(F)(F)C(=O)NN)C1	1935926105	NUOKJPYQGRAXEB-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCCC1=O	1936085643	RQIWQVJZFGSZDS-NKWVEPMBSA-N	225.248	-0.849	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2COCC[C@H]21	1936282148	CWXCWDFVZXJRGO-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CN(CCOCC(=O)NN)C(C)(C)CCO	1936529646	NBAFSWPHWZVWEY-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCCO1	1937124051	JGQNQNFUQCHXDO-UHFFFAOYSA-N	222.248	-0.178	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CCC2)CC1	1938247363	RWDOGQWSLWQTND-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1C	1941090463	ZYHKAPYSOFFFNE-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](C)CN(C)C	1941094095	KODVJGQRAMRSRR-OUAUKWLOSA-N	242.367	-0.116	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CCN(OC)CC1	1942616771	SOCULESYDJATGC-JTQLQIEISA-N	244.339	-0.288	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@@H]2COC[C@@H]2C1	1942893308	MFPYCWOWXGBTNT-ZNSHCXBVSA-N	239.319	-0.419	50	10	BBGE	
C[C@@H](CN1CCC2(CC1)C[C@H]2CO)C(=O)NN	1944029620	NQWKKDQJUPJQHS-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](Cl)CC(=O)N(C)C(CO)CO	1954240212	SXEPIMMITVJQGY-LURJTMIESA-N	209.673	-0.185	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@@H]2COC[C@@H]21	1955233433	QTHKBSDCBXCOLI-HXFLIBJXSA-N	221.684	-0.722	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)CC[C@@H]1O	1956255665	BXVHFJUEVRPVRL-CIUDSAMLSA-N	223.700	-0.739	50	10	BBGE	
C[C@]1(CO)COCCN1C[C@@H](O)CCl	1956680257	CNWHNFCEEFXRFJ-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@]12CC2(F)F	1956892314	WCBQYLFBKZFDMZ-VDTYLAMSSA-N	206.192	-0.355	50	10	BBGE	
CC[C@H](O[C@H]1CO[C@@H](C)C1)C(=O)NN	1956931214	BQVAPFGYGDJDMB-RNJXMRFFSA-N	202.254	-0.051	50	10	BBGE	
CC[C@H](Cl)C(=O)NCc1nc(=O)o[nH]1	1956989908	KTQHLVMBPYCSNC-BYPYZUCNSA-N	219.628	-0.004	50	10	BBGE	
COc1ccnc(C(=O)NNC(N)=S)c1	1960555316	QDEMURBEDNVMSO-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
ClCc1nnnn1C1CN(C2COC2)C1	1961448682	BFCJJHVQEHRDJE-UHFFFAOYSA-N	229.671	-0.333	50	10	BBGE	
CCON(C)c1ccc(B(O)O)c(C)n1	1961719062	XPRMBJJOEYLHNR-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@H]2CC[C@@H]2O)[nH]1	1977160172	KZHVXAFUWJKFRA-ZLUOBGJFSA-N	243.698	-0.059	50	10	BBGE	
C[S@](=O)(=NC(=O)C(=O)NN)N1CCCCC1	1979780749	RESJZFXZJHFYOO-INIZCTEOSA-N	248.308	-0.998	50	10	BBGE	
CC[C@H](COC[C@H]1C[C@@H]1C(=O)NN)N(C)C	1983909135	ZGBJADNJMPFVTO-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]1CO2	1984130379	RNZGECHXOULQOI-NKWVEPMBSA-N	235.234	-0.525	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@@H]1C(F)(F)F	1986757300	MNAPLVUVIOAHJK-WHFBIAKZSA-N	239.197	-0.319	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987555496	BTAILXOEKBVDRK-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	1988837158	LQNPWEWRDTZCND-GHCJXIJMSA-N	231.271	-0.698	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1990540971	WVCPQEJHDVJNCF-QXEWZRGKSA-N	225.292	-0.765	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1990772408	JLEIRXWWHPRMID-RGOKHQFPSA-N	223.276	-0.506	50	10	BBGE	
O=C(CN1CCNCC1=O)NC[C@@H]1C[C@@H]1Cl	1991448428	GBZVWUYYBSAUOC-YUMQZZPRSA-N	245.710	-0.838	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COCC1(F)F	1991600550	BJENOAXREIAZLQ-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H](N)[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991647529	FLUUTZFQKPOCKB-HTQZYQBOSA-N	246.694	-0.117	50	10	BBGE	
CC(C)C[C@@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992145152	IRKNWCHPFPFKTF-ZJUUUORDSA-N	223.081	-0.200	50	10	BBGE	
Cc1ncccc1C(=O)NCC#CB(O)O	1992166977	BQWGBACBLNHWOI-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2CC(F)(F)C[C@@H]2C1	1997627030	BNHRLCSPNFCPEU-WDSKDSINSA-N	247.245	-0.084	50	10	BBGE	
CC(C)C[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1998133358	PWNKLGMGKFMADA-HTQZYQBOSA-N	245.084	-0.289	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1c1ncc(B(O)O)cn1	2004916349	KTAOSQXLRUDXJJ-DTORHVGOSA-N	235.096	-0.076	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004917234	WACBCVBGDAILBO-VHSXEESVSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2CCOC2)n1	2004930913	FYGKDVDIGPRMRR-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
CCc1nccn1-c1ncc(C)cc1B(O)O	2005008270	VDXNYLFIFQYNHB-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cnc(N2CCCOCC2)c(B(O)O)c1	2005018830	ZAXLSSHDAJYZGE-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC2(CC(O)C2)C1	2005810656	VEJFSFTWZYNKSJ-SQLBVSGCSA-N	241.335	-0.152	50	10	BBGE	
CCC[C@@H](OCCN1CCOCC1)C(=O)NN	2007033763	CJLLNKVBPRASQV-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ccc(B(O)O)cn1	2009677240	UNJLRKOYXQVVBW-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC[C@@H]2O)CC1	2014133619	HEHAUQQLOLIXNS-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]1CCC(=O)N[C@@H](CB(O)O)C(=O)O	2017242553	MPRVGZQEKSNGMZ-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	2019823744	HIIVJJUGNOYSMH-RNFRBKRXSA-N	246.072	-0.744	50	10	BBGE	
O=C(Nc1csnn1)c1cccc(B(O)O)c1	2022199669	IBCVQURVXYITDB-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@](C)(CO)C1	2022237076	DJVUWRBKNFSMJW-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1COc1ncc(B(O)O)cn1	2022578436	FVTISXSWGPCGEV-SCZZXKLOSA-N	236.080	-0.173	50	10	BBGE	
CCC[C@H]1C[C@@H]1COc1ncc(B(O)O)cn1	2022580238	UFVGXDZVGGADPA-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1C[C@H]2C[C@@H]2C1	2028425375	HDGMBNWBMZELCB-RKDXNWHRSA-N	246.075	-0.150	50	10	BBGE	
OB(O)c1ccn(Cc2cccc3nccn23)n1	2034289225	XHWLCPVTXIPXAR-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ccc(B(O)O)cn3)C[C@H]12	2042944430	NHANCXVKJCJMGG-JWKOBGCHSA-N	246.075	-0.254	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1nccc(O)n1	2044807879	SMYLYYAXBXONNA-RNFRBKRXSA-N	249.226	-0.401	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)C(C)(C)C1	2052473054	PTLPOQRBELPHTJ-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2COC[C@H]2C1	2052493764	FIYARCLTAJRESY-VHSXEESVSA-N	248.091	-0.766	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@]2(CCO2)C1	2052628169	WTVIMYZQDTYUBR-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
COc1nc(N2C[C@@H]3C[C@]3(C)C2)ncc1B(O)O	2052628306	YLSNWUMJNIATEV-WRWORJQWSA-N	249.079	-0.989	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)c(OC)c1	2060044319	HEFJRYJDRWDVJY-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@@H](C(=O)NN)c1ccccc1	2062248787	YRJITVVTOXZIRU-YUSALJHKSA-N	249.314	-0.175	50	10	BBGE	
COC12CC(C1)N(c1cc(C)c(B(O)O)cn1)C2	2065706739	CQSTXPLVHYPROC-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@H]3C2=O)CC1	2211798067	LAADRIBQIUQWJH-JGVFFNPUSA-N	223.276	-0.375	50	10	BBGE	
Cc1cnc(NCC(C)(C)O)cc1B(O)O	2212603834	JNBZOVIIOCXTJR-UHFFFAOYSA-N	224.069	-0.747	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCOC2)c1	2212606507	VHLOWTIBIWRFNA-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNc1ncccc1B(O)O	2212612263	JDENUHUNMPOFQG-XCBNKYQSSA-N	224.044	-0.079	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C1CSC1	2212615724	TZOGQXGNJBYEPG-SSDOTTSWSA-N	238.121	-0.075	50	10	BBGE	
CCN(CCCO)Cc1cccc(B(O)O)c1	2214594375	GERFVLPLFGUMAQ-UHFFFAOYSA-N	237.108	-0.429	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@@H](O)CC1	2215778418	ZBGSOLYUQQMRBT-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@]3(CCO3)C2)c1	2217172023	GVASMOKDIFZFBX-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CC(F)(F)C1	2217175832	NWLVSETZHWESJL-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)[C@@H]1CCOC1	2217180228	RIGQGGIZNOZDFT-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@H](N)C(C)(C)COc1ncccc1B(O)O	2217184099	MPEAMDQWHIJDRY-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
OC[C@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217184383	SAULFMWXCKJGOH-HTRCEHHLSA-N	240.043	-0.917	50	10	BBGE	
C[C@@H](CCN=c1ncc(B(O)O)c[nH]1)C(F)F	2217198474	BSTMQSRDCQFCHV-LURJTMIESA-N	245.038	-0.719	50	10	BBGE	
N[C@H]1CCCN(c2ncccc2B(O)O)CC1	2217198856	HGIYOPMPEXUFSN-VIFPVBQESA-N	235.096	-0.921	50	10	BBGE	
NC[C@]1(F)C[C@H](Nc2ncccc2B(O)O)C1	2217201989	SPIDALAGZZRRGZ-GVJMRKKJSA-N	239.059	-0.997	50	10	BBGE	
CC[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1O	2220060973	BJEQNLXPBQUASD-WCQYABFASA-N	249.119	-0.431	50	10	BBGE	
OC[C@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220063834	ALLXOVIQXZXCAJ-DGCLKSJQSA-N	247.103	-0.819	50	10	BBGE	
COC1CC2(C1)C[C@H]2Nc1ncc(B(O)O)cn1	2223629566	VHOFZQDWHLTRRU-INWMGODYSA-N	249.079	-0.864	50	10	BBGE	
N[C@H]1CC[C@@H](CN=c2ccc(B(O)O)c[nH]2)CC1	2223668750	AOHPISHZNDSUQA-JGZJWPJOSA-N	249.123	-0.887	50	10	BBGE	
C=C[C@@H](C)NS(=O)(=O)CC(=C)B(O)O	2241480198	FWTRLRPSVFLLTJ-SSDOTTSWSA-N	219.071	-0.952	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC(Cl)C1	2241578300	SVLXKSBFXFSHKC-UHFFFAOYSA-N	217.461	-0.312	50	10	BBGE	
O=C(NCCCN1CCC1)C1(B(O)O)CC1	2243359024	NLDPPTRBUPWUNC-UHFFFAOYSA-N	226.085	-0.795	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@H]1F)C1(B(O)O)CC1	2243364232	SYWSTFHYBYCGOT-RQJHMYQMSA-N	231.032	-0.763	50	10	BBGE	
CN(C)NC(=O)c1cc(Cl)ccc1B(O)O	2243366495	CXRALSDWNAFMLK-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](F)[C@@H](F)C1	2243391629	MPYXSPYXCXNNSL-GHNGIAPOSA-N	233.023	-0.242	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCNC1	2243395647	ABHRNRQOHGIHBS-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)C1CNC1	2243396878	RZYIVQNEPGTSSU-UHFFFAOYSA-N	226.085	-0.940	50	10	BBGE	
C[C@](CN)(NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243397304	YQVWCJNURIKOHL-QXFUBDJGSA-N	226.085	-0.907	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@H]1C1CC1	2243404882	VZKLZOIZBUAPMJ-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
C=C1CCC(CNC(=O)C#CB(O)O)CC1	2243404892	WDBGXQDETAMMFC-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1nncs1	2243409721	NMMBGRWSCCFCFB-YFKPBYRVSA-N	241.081	-0.278	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1nscc1B(O)O	2243411021	MDSGJHJDPLNYGL-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@H]1CCC)B(O)O	2243412231	ISVUBQPBZWOUKS-IUCAKERBSA-N	247.125	-0.337	50	10	BBGE	
C=C1COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243426587	IYMQWDQTOQADME-IWSPIJDZSA-N	225.053	-0.689	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1[C@H]2CCC[C@H]21)B(O)O	2243433836	QTFFGEBCVQOGBS-AYMMMOKOSA-N	245.109	-0.728	50	10	BBGE	
CN(C)C(=O)c1cc(B(O)O)c(F)cc1Cl	2244183067	URTRNDZRISDHQP-UHFFFAOYSA-N	245.446	-0.139	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H](F)C1	2244213858	KSUCLMSXFDWTPX-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(CC(F)C2)C1	2244834224	ZIEPIZBVNOKSLF-UHFFFAOYSA-N	229.255	-0.379	50	10	BBGE	
C=CC1CN(C(=O)c2coc(B(O)O)c2)C1	2245434114	BAFHLHJPDBCVSZ-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
O=C(Nc1cccnc1)c1nscc1B(O)O	2247733535	OCEGKKVNPPCUQE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCc1cccc(CNC(=O)C#CB(O)O)n1	2247746647	BNPHDAXNUQAKEN-UHFFFAOYSA-N	232.048	-0.724	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)[C@@H](C)O1	2247753562	ASDZZGLLASXTKB-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
O=C(N1C[C@H]2CCNC[C@@H]2C1)C1(B(O)O)CC1	2247760972	AVKCYCFBCWDZLS-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
O=C(NCCn1ccnc1)[C@H]1C[C@@H](B(O)O)C1	2247784875	CAOPSTYUFKFPSF-DTORHVGOSA-N	237.068	-0.748	50	10	BBGE	
C=C(C)CCCNC(=O)c1c[nH]nc1B(O)O	2247785817	QTVHZNXQDKTWPO-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247809832	ROALFOVKASTVRV-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
CC(C)[C@H](N)CCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247859721	OKYICBVIBLFQJT-OPRDCNLKSA-N	242.128	-0.319	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)C1CC(B(O)O)C1	2247860296	VAJMYJDFSCEOHA-RTBKNWGFSA-N	240.112	-0.421	50	10	BBGE	
C=C1CCCN(C(=O)c2coc(B(O)O)c2)C1	2247871984	KRBMYAGLPPUAGO-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247896060	DNXMYLYJRUTUDE-SDNRWEOFSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COCC[C@H]21	2247898079	AEEXXYKWBBKPQI-QCLAVDOMSA-N	239.080	-0.513	50	10	BBGE	
CC1(C)COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247899772	PZBZDTMOYKOWPY-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)C1CC(B(O)O)C1	2247911114	SXNCTIMNGTVLIP-UDNWOFFPSA-N	240.112	-0.502	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2248573690	IIEFUEUKNQXRCK-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248587006	KIRUWIUFHXBTGC-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cncc(B(O)O)c1	2249305976	USAGHOKZPAROAB-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1cocc1B(O)O	2249412648	YWHZQLKTXFUTLC-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2249420848	ZFSJPQPAMSCPSZ-RDDDGLTNSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1cocc1B(O)O	2249424058	NVZGZQZSDXELBH-NKWVEPMBSA-N	241.027	-0.468	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)O1	2250006449	LMVWODDEXANAIS-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@@H]12	2255472338	FIRJJBSAVVSUNV-WEDXCCLWSA-N	248.091	-0.578	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ncccc1B(O)O	2255517620	WOYJZQHLTCBWBQ-WCBMZHEXSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C2CCC1CC2	2255522506	KRMFKNQKJLBQJU-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1c[nH]nc1B(O)O	2255554275	KLFUQZYYAMKRJY-CPCISQLKSA-N	249.079	-0.896	50	10	BBGE	
Cn1ccc(CNC(=O)c2ccc(B(O)O)o2)c1	2255673883	URTJFYCTXJPRMK-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cccc(B(O)O)c1F	2255718650	CVJPWILXVKTWTI-QMMMGPOBSA-N	247.034	-0.647	50	10	BBGE	
Cc1ccnc(C(=O)NCC2(C)CC2)c1B(O)O	2255785163	JLPAILKSNXMVFC-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)NN1CCCC1	2255890153	LZXDVQHRTWQUPA-UHFFFAOYSA-N	249.079	-0.501	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1cc(B(O)O)co1	2258129680	YKQCWYXZDRYGBF-PSASIEDQSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N[C@H]1C=CCC1	2258668514	QSJUUBFJOVGPIT-VIFPVBQESA-N	247.063	-0.399	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c1	2298225702	OWTHLBBKLBSANJ-IANFPDNMSA-N	230.076	-0.394	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@@H]3C[C@H]2CO3)n1	2298273328	RBSIEJFTGRTPBD-LPEHRKFASA-N	236.080	-0.622	50	10	BBGE	
C[C@@H](CCC(=O)O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298463541	JJOYSAAMKYAWCF-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)C	2298653507	VOJOOVAMMQZHHH-IWSPIJDZSA-N	243.112	-0.143	50	10	BBGE	
CCC#CC(=O)NCc1ccc(B(O)O)cc1	2302879453	AHHOYDBBLRFDME-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
Cn1cc(NC(=O)N2CC[C@H](B(O)O)C2)cn1	2303164797	ZISRWGTUDJKSIL-ZETCQYMHSA-N	238.056	-0.499	50	10	BBGE	
CC[C@@](C)(CN1CCN(OC)CC1)C(=O)NN	2303421801	ZSBFCOWEXYCFFB-NSHDSACASA-N	244.339	-0.428	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCCO2)ncc1F	2303852374	LMEVLJVAFHUVGF-ZETCQYMHSA-N	241.027	-0.542	50	10	BBGE	
C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2312860254	JMBMZHBCZWZGTE-GDPRMGEGSA-N	248.091	-0.008	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)CO1	2317348293	LRIUZBKVHPZXEZ-KCJUWKMLSA-N	249.075	-0.232	50	10	BBGE	
C=CC[C@H](N)COc1ccc(C=O)c(B(O)O)c1	2317351069	BZTFBSBBNUATGO-JTQLQIEISA-N	249.075	-0.539	50	10	BBGE	
O=C(CO)NNC(=O)c1cccc(O)c1	11638898	WSFMDAKOUXGNHZ-UHFFFAOYSA-N	210.189	-0.855	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@@H]1CCC(=O)N1	70681385	AUTLXHICLONFQQ-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
CC(=O)NNC(=O)CSCC[C@@H](C)N	85317653	DYFCXQNIYXLDCR-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
CCN(CCO)[C@@H](C)[C@@H](C)C(=O)NN	86313484	YSAWRNXYCCWUEH-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
CN(C)NC(=O)N1CC(CC(=O)O)C1	149051953	LJHAKIVSMNZCAM-UHFFFAOYSA-N	201.226	-0.421	50	10	BBGE	
OB(O)c1ccsc1CN1CCOCC1	205618294	FYBLMXSFVAZAPL-UHFFFAOYSA-N	227.094	-0.740	50	10	BBGE	
CCC[C@H](O[C@H]1CCOC1)C(=O)NN	211802370	KFTXXWXLSOPDRT-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNCC1	216193244	MUYZWBZLNKRRRB-OWOJBTEDSA-N	202.641	-0.260	50	10	BBGE	
CC(C)Oc1ncc(B(O)O)c(OC(C)C)n1	223079514	BTKUTWHXLONLAQ-UHFFFAOYSA-N	240.068	-0.269	50	10	BBGE	
CC[C@H](/C=N/NC(N)=O)[C@@](C)(O)C(=O)O	238282685	OXQLQXWQNCPHBO-AISDABHASA-N	217.225	-0.498	50	10	BBGE	
C[C@H](CCN(C)C)N(N=O)NC(N)=O	238425254	OZIZFDWEVRKWKM-ZCFIWIBFSA-N	203.246	-0.107	50	10	BBGE	
O=[SH](=O)N(CB(O)O)Cc1ccccc1	238608347	LNLRRTSZXQUYDZ-UHFFFAOYSA-N	229.066	-0.973	50	10	BBGE	
CCO[C@H]1CCCN([C@H](C)C(=O)NN)C1	252417996	UFHXFQVBZNESTC-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCNC(=O)CSC[C@H](C)C(=O)NN	300845178	MWNGPWVODWCDNC-LURJTMIESA-N	219.310	-0.518	50	10	BBGE	
CC1=C(C=O)C(=O)N(C(C)(C)C)C(=O)[C@@H]1N	318965124	XLHGAQOQLAMGGR-MRVPVSSYSA-N	224.260	-0.004	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1nncn1C	380560146	LWKYHDDEHPGRKZ-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
OB(O)c1cc(C2CCNCC2)ncc1F	381604936	IFIYFFRMBPEMSK-UHFFFAOYSA-N	224.044	-0.633	50	10	BBGE	
CC(C)(C)NC(=O)c1ccccc1B(O)O	390051358	IJVABEDCMBPULE-UHFFFAOYSA-N	221.065	-0.105	50	10	BBGE	
NNC(=O)C(=O)NCCCc1nccs1	391355806	UWNXCRRUPCGEOA-UHFFFAOYSA-N	228.277	-0.818	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C[C@@H](CO)C1	398834008	QFJNEDXBMYXULA-PSASIEDQSA-N	243.307	-0.896	50	10	BBGE	
O=C(C[C@@H]1CCOC1)Nc1ccccc1B(O)O	404943430	MQZLCZBFOBCGLZ-VIFPVBQESA-N	249.075	-0.269	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1ccon1	404944196	AWKGMIBVRLKLPS-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cnn[nH]1	404957326	YWCKJLGJGOYTKU-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)s1	405064933	UHHIRZNXASJFGD-XPUUQOCRSA-N	239.105	-0.300	50	10	BBGE	
COCCOCc1c(C(=O)NN)cnn1C	408716202	JYUZAWWAUQIOLR-UHFFFAOYSA-N	228.252	-0.813	50	10	BBGE	
C[C@@H](CN1CCSC[C@@H]1CCO)C(=O)NN	689851298	QXQUDVTUQQLFPD-IUCAKERBSA-N	247.364	-0.588	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C)[C@@](C)(CO)C1	694662101	OPRNAMSAFHJVSJ-IQJOONFLSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1Cc2ccccc2CO1	700279439	VVEGCHRNHMDILJ-SNVBAGLBSA-N	249.270	-0.766	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](CO)C1	700399966	VTAXSKQUOVIRME-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncnn1C	707410628	BVKQWEWBUPHJGI-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1COC[C@H]1O	709211234	VGNDVOUNYPJSOO-BWZBUEFSSA-N	209.673	-0.722	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H](C1=O)C2(F)F	715550985	SQZJTRKGUUIGHF-UJURSFKZSA-N	219.191	-0.910	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@H]2C1	718160777	OMODHXWUJDKHHD-QCLAVDOMSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718166610	KIIPRYBLTSLENK-CKIJPRSSSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724816380	NFFDZPDJRLXKPW-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
C[C@H]1C[C@H](Cn2ccc(B(O)O)n2)C[C@@H](C)O1	725123709	CHYPEHOHYRJQEL-ILWJIGKKSA-N	238.096	-0.234	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)NNC(=O)CO	757866829	MNBWVOPSSGEJJT-UHFFFAOYSA-N	241.251	-0.818	50	10	BBGE	
CN(NC(=O)CN1CC(C)(C)C1)C(N)=O	816958253	KJBILDBUUBUOLX-UHFFFAOYSA-N	214.269	-0.630	50	10	BBGE	
CNC(=O)CC(=O)NN=c1cc[nH]c(C)c1	862512334	RFASAVZSVLKCPF-UHFFFAOYSA-N	222.248	-0.609	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@@H](C)O1	867671993	AAYCGACHBAUCOC-BWZBUEFSSA-N	244.291	-0.282	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C12CCN(CC1)C2	907626112	LFXYCCSVAZIHIH-UHFFFAOYSA-N	241.291	-1.000	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C(=O)N1	953005654	AAZQIHRHHVHSAC-MRVPVSSYSA-N	234.064	-0.720	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)Cc2cc[nH]n2)CC1	1324501940	FRHRXXGFOBGTAU-UHFFFAOYSA-N	247.258	-0.207	50	10	BBGE	
CCOCCOCC(=O)NNc1ccncn1	1468214538	KKZIUAHEQVBTGB-UHFFFAOYSA-N	240.263	-0.027	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNC(=O)C(C)(C)C	1544260568	JKFUNOADXZKUCA-LURJTMIESA-N	229.280	-0.309	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NN(C)C(N)=O	1623316429	QQHVKONCECWYKG-RQJHMYQMSA-N	213.237	-0.381	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]1CF	1877326848	FDQZZTDVHSVEAL-RNFRBKRXSA-N	201.006	-0.724	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2COC[C@@H]21	1881023537	WMVQPZKQNXAJMG-RITPCOANSA-N	211.670	-0.157	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@H]1C[C@H]1Br	1883532977	MVXPVNGLKAUBJL-NTSWFWBYSA-N	249.108	-0.026	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)N1CC(O)C1	1883710701	HWMJEJNPVNHIMR-YFKPBYRVSA-N	228.701	-0.875	50	10	BBGE	
O=S1(=O)CC[C@@H](CNCC#CCCl)N1	1884812657	LAHKLGIJWMPXMR-QMMMGPOBSA-N	236.724	-0.490	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H]1CCS1(=O)=O	1884830144	ZXNOLFWBUMKQDX-BQBZGAKWSA-N	235.692	-0.470	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NCB(O)O	1884890833	YQLJSEZRTNFKEJ-CLZZGJSISA-N	206.985	-0.594	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC2(CNC(=O)N2)C1	1884978258	SICVNICSRZXBKB-RXMQYKEDSA-N	217.656	-0.493	50	10	BBGE	
CO[C@H](C)CCN(C)[C@H](C)C(=O)NN	1885397467	LYWXOOQAUYDNPA-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
CCOCCS[C@H](COC)C(=O)NN	1886275430	UGHVUTHJVCRBQQ-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@H](C(F)(F)F)C1	1886612909	FLVLKDUTEAWFBN-IMJSIDKUSA-N	213.159	-0.121	50	10	BBGE	
O=C(F)OCC[C@H]1CNCCS1(=O)=O	1887173062	HPFAPABUINFQND-LURJTMIESA-N	225.241	-0.131	50	10	BBGE	
NCCN(CCO)C(=O)C1CC(Cl)C1	1893490069	ADYQMIDIWWWRSG-UHFFFAOYSA-N	220.700	-0.217	50	10	BBGE	
COC[C@@]12CN(CCC(=O)NN)C[C@]1(C)C2	1894670529	ZIHBNTKOGVDBFY-WDEREUQCSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2OCC[C@H]2C1=O	1895086626	FXZUGQDYVVTVLF-PRJMDXOYSA-N	227.264	-0.998	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NCC=CB(O)O)C[C@@H]12	1897141080	ZRTBSDZLPDLBGV-XKSSXDPKSA-N	225.053	-0.904	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H]1N)S(=O)(=O)C1CCC1	1901359389	KRMDFWMQSMJRKC-JGVFFNPUSA-N	247.320	-0.821	50	10	BBGE	
C[C@H]1CNC[C@@]1(C)C(=O)NN(C)S(C)(=O)=O	1901375410	LKYXWBUOGKDURB-IONNQARKSA-N	249.336	-0.845	50	10	BBGE	
C#CCCS(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902513965	USTBRUBRDIALRQ-SECBINFHSA-N	245.109	-0.722	50	10	BBGE	
C=CCCN(C)c1cc(B(O)O)c(F)cn1	1903006473	UEJUNKRGPQCNLY-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
NCCSCc1ccc(C(=O)NN)nc1	1910223271	OCNROOCRTVKUGB-UHFFFAOYSA-N	226.305	-0.123	50	10	BBGE	
CC[C@H]1CCOCCN1[C@H](COC)C(=O)NN	1913638885	FOOLOCSEGZEEDE-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)C2(CCC2)C1)C(=O)NN	1914019220	NSGVIKHADFJEGT-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
CN(CCCC(=O)NN)C1CC(O)C1	1914601449	PYBVYCPZNSTBHA-UHFFFAOYSA-N	201.270	-0.788	50	10	BBGE	
CO[C@H](C)[C@@H](O)C(=O)NNC(=O)OC(C)(C)C	1923414270	ZYTBXNBYBLIXEU-RNFRBKRXSA-N	248.279	-0.062	50	10	BBGE	
CO[C@H](C)[C@H](O)C(=O)NNC(=O)OC(C)(C)C	1923414271	ZYTBXNBYBLIXEU-RQJHMYQMSA-N	248.279	-0.062	50	10	BBGE	
C[C@@H](NNC(=O)C(F)(F)F)C(=O)NC1CC1	1923440703	TXEOBVWPAYJTBW-SCSAIBSYSA-N	239.197	-0.163	50	10	BBGE	
NNC(=O)N1C[C@H](O)C[C@]2(CCCO2)C1	1924295182	JDGFOYBDKDLOKK-VXNVDRBHSA-N	215.253	-0.815	50	10	BBGE	
CCO[C@H](C)Oc1cncc(B(O)O)c1	1927939598	JABXOXHUUBIZPN-ZETCQYMHSA-N	211.026	-0.477	50	10	BBGE	
NNC(=O)N1CCCCCNC(=O)CC1	1928016539	RQMLESFDENBKHO-UHFFFAOYSA-N	214.269	-0.438	50	10	BBGE	
Cc1nnc(SCCOCC(=O)NN)s1	1928181901	TUKLIMWXHHWMLH-UHFFFAOYSA-N	248.333	-0.055	50	10	BBGE	
O=C(CCn1cnnn1)NCCCl	1928688137	CUJWJRFTMNBPJI-UHFFFAOYSA-N	203.633	-0.582	50	10	BBGE	
NNC(=O)CN1C[C@]23CC[C@]2(COC3)C1	1928822985	MVROOKNHNGGGCW-AOOOYVTPSA-N	211.265	-0.911	50	10	BBGE	
CCc1cc(C(=O)NNCCO)n(C)n1	1929835991	BALWEJBMKNPQJS-UHFFFAOYSA-N	212.253	-0.791	50	10	BBGE	
COCc1cc(C(=O)NNCCO)no1	1929838493	OHYOSJXJIDBIJW-UHFFFAOYSA-N	215.209	-0.952	50	10	BBGE	
O=C1CN([C@@H]2[C@@H]3CCOC[C@H]32)CC(=O)O1	1930475650	FRYPIGXHTZUBNR-BRDIYROLSA-N	211.217	-0.593	50	10	BBGE	
CC[C@@]1(O)CCN(CCCC(=O)NN)C1	1930890842	VFIUMWDUGUQPHS-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
CN(CCS(=O)(=O)N(C)C)C(=O)CCl	1931195942	OXBONNIFTQNHCZ-UHFFFAOYSA-N	242.728	-0.425	50	10	BBGE	
CCCSC1CN(CC(=O)NN)C1	1933225201	DHWOGBSPOXSINK-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
NC(=O)NNC(=O)c1cnn(C2CC2)c1	1933227333	MBHFDRJUCCWVHF-UHFFFAOYSA-N	209.209	-0.469	50	10	BBGE	
CSC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1933241579	VQOYEFUISVHUEX-XPUUQOCRSA-N	215.322	-0.340	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSc1nccc(O)n1	1936095540	YDKOTUSTJYFVJH-NTSWFWBYSA-N	240.288	-0.100	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1CCOCC(=O)NN	1936533419	HQRHMLVBYQDHOH-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCC[C@@H]1O	1941772511	KFXDYKCVBYUUQE-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
CCc1nn(CCCOC)c(CC)c1B(O)O	1944693574	ZTJOMZFPTKIYON-UHFFFAOYSA-N	240.112	-0.276	50	10	BBGE	
NNC(=O)C1(CN2C3CCC2(CO)CC3)CC1	1945889235	NLGSNZRKVJGFQA-UHFFFAOYSA-N	239.319	-0.254	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1945903127	AXTVUMXEDOOYKC-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCCN1CC2(CCC2)C[C@@H]1CO	1946224053	USKOZJGCSPNLIW-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C[C@@H]1F	1947334924	OOTGZJSAVSKDJQ-IMSYWVGJSA-N	245.298	-0.186	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951017432	CEKFKIZZEFEASK-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
CNC(=O)[C@H]1CCCN1C[C@H](O)CCl	1956256567	QGLGXJPWOOBYMG-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C(=O)NN)CCS1	1958516249	ZWTOXFXBJSJEPB-RQJHMYQMSA-N	231.321	-0.376	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)nn1	1972414416	QFBKTVULDYEPBG-SECBINFHSA-N	249.079	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(F)C[C@]1(C)CO	1976215616	VPPYNXJXWJTIOE-POYBYMJQSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@H]2CCCO2)CC1	1978606881	PFPZRJYULARHKQ-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1c(Cl)ncn1C	1980184039	VMHHGBPPAQOVEY-ZCFIWIBFSA-N	245.714	-0.116	50	10	BBGE	
Cc1ncc(OCC2COC2)cc1B(O)O	1980866888	NVNLPYJBKRZEHB-UHFFFAOYSA-N	223.037	-0.905	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21	1980945103	ZYUNUGZPPBBPRF-RRKCRQDMSA-N	233.023	-0.204	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC(=O)[C@H]1C	1981205193	JVXRUANEJAJCOE-SSDOTTSWSA-N	227.264	-0.793	50	10	BBGE	
Cc1ccnc(N(C)CCCF)c1B(O)O	1981409740	QWDUGNPULNXESH-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
CCOC[C@@H](C)Oc1ccncc1B(O)O	1981429481	DXICBKCXTJEAOY-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)c1nc(B(O)O)cs1	1981471502	JBZCFBDMHSJCIH-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCCC(=O)NN	1982044752	OWMGABMGZOXKCJ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
CC(C)(CN1CC=CC[C@@H]1CO)C(=O)NN	1983179131	JMYGRLBHPKWKCC-SECBINFHSA-N	227.308	-0.375	50	10	BBGE	
CS(C)(=O)=NCc1ccc(C(=O)NN)nc1	1983343834	HVGOCFYPSORUDW-UHFFFAOYSA-N	242.304	-0.087	50	10	BBGE	
COCC(=O)N[C@H](C)c1cc(B(O)O)cs1	1983825121	WVYIAJLZBOLGBJ-ZCFIWIBFSA-N	243.093	-0.749	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CCCC(=O)NN	1984070307	WTWPJEXHFYMCLE-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H]2CC[C@@H]21)C(=O)NN	1988711185	JNWOWSJDNFFMRS-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(F)F)C1CC1	1990773549	XDQZCGCKIYZXTH-UHFFFAOYSA-N	235.234	-0.117	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccc[nH]1	1991329000	UXQUEJFIAKFGLM-MRVPVSSYSA-N	220.037	-0.155	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]1(F)C[C@@H]1C	1995030861	CYWARMMHCKCPHY-XVKPBYJWSA-N	231.271	-0.166	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)CCOCC(=O)NN	1995036018	IJBGFGVMEQFUDG-WPRPVWTQSA-N	233.287	-0.327	50	10	BBGE	
O=C(O)c1ccc(-n2cc(B(O)O)cn2)cc1	1995686313	DVSKHDGCOYBIOY-UHFFFAOYSA-N	232.004	-0.750	50	10	BBGE	
CN(Cc1cn(C)cn1)CC(C)(C)C(=O)NN	1997728931	TYPDFIDYWVZMMB-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866983	YNSAZRZMCKXVAB-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
Cc1ncnc(N2C[C@H](F)C[C@@H]2C)c1B(O)O	2004975095	UMFHJPYHESQFOT-POYBYMJQSA-N	239.059	-0.598	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1C[C@@H](CO)C2	2012639493	KVKRXMUIQLREBX-RTCCRHLQSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@H]2CC[C@@H]21	2015990445	OFDPHQBLXZEXJF-QHZLYTNSSA-N	241.335	-0.154	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@]12CCC[C@H]1C2	2016419895	UHYKYGWTDJXXJO-JOYOIKCWSA-N	233.076	-0.282	50	10	BBGE	
COc1ccc(C(=O)NCC=CB(O)O)cn1	2020056967	QAIIDBKZZHOTCI-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
COCCN([C@@H](C)C(=O)NN)[C@@H]1CCCOC1	2020540535	FDULWUJFVVFGGD-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc(F)ccc1O	2021162543	IDZKLSVLZMCFTP-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
C=C(CN(CCOC)[C@H]1CCCOC1)B(O)O	2021163488	UQSBDUMOKJHBFE-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
C[C@@H]1[C@H](C(=O)NCc2ccccc2B(O)O)[C@@H]1C	2043286872	MNAMOXZZYZGHHI-BZBKMWRSSA-N	247.103	-0.115	50	10	BBGE	
COC[C@]12C[C@H]1CN(c1ncccc1B(O)O)C2	2052490417	CLHJMDJHOLXIGO-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncnc(N2[C@H]3CCC[C@@H]2CC3)c1B(O)O	2052552182	OWFLCEYUOIVQQW-AOOOYVTPSA-N	247.107	-0.014	50	10	BBGE	
O=C(NNCCO)C1CC(C(F)F)C1	2210099598	UVSBNSRYZPODKS-UHFFFAOYSA-N	208.208	-0.109	50	10	BBGE	
C[C@]1(C(=O)NNCCO)CC[C@@]1(C)C(=O)O	2210587968	SFYNDPXXDGANRI-ZJUUUORDSA-N	230.264	-0.510	50	10	BBGE	
C=C1CCN(c2ncc(B(O)O)cn2)CC1	2212604584	QVSROSJFIMMOPX-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOCCC1=O	2215770252	AQGXEABOHXBUIU-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C(CO)[C@H]2C1	2215773459	SQJXCSYOQXQTPV-IMSYWVGJSA-N	239.319	-0.827	50	10	BBGE	
CC1(C)C[C@@H](O)CN1CC1(C(=O)NN)CCC1	2216535373	ZMTHRTWPADVDSZ-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N[C@H]2CN[C@H](C)C2)cc1B(O)O	2217183858	LFWCAFMVBTUPIP-RKDXNWHRSA-N	235.096	-0.768	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CC=CCN1	2217187785	DVDPFKIXKAKGOS-VIFPVBQESA-N	234.064	-0.942	50	10	BBGE	
C=CC(C)(C)CCN=c1ncc(B(O)O)c[nH]1	2217198965	IRVZHBWWFCYULX-UHFFFAOYSA-N	235.096	-0.408	50	10	BBGE	
NC[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2217204294	HVPWZDNLDONYLH-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)cnc2=O)C1	2217409817	XIUUDOJYLFGJAA-DTWKUNHWSA-N	236.080	-0.641	50	10	BBGE	
O=C1[C@H]2CC[C@@H](C2)N1Cc1cccc(B(O)O)c1	2220061435	DUDOBFCSQUEOIB-JQWIXIFHSA-N	245.087	-0.123	50	10	BBGE	
Cc1cnc(-n2ccnc2[N+](=O)[O-])cc1B(O)O	2223611674	BQUFEPLPGPWUEV-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)C[C@@H]1CN	2223631902	CFAIMZBENHTFMD-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
Cc1cnc(N2CCCN[C@@H](C)C2)cc1B(O)O	2223650939	STNPGYBYQMMKOH-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
C[C@@H]1OC2(CNc3ncccc3B(O)O)CC1C2	2223676296	ZKOOMPSKHNXDAY-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
CON(Cc1ccccc1)C(=O)C#CB(O)O	2241478987	PDDYFRXFVGCRLH-UHFFFAOYSA-N	233.032	-0.408	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1COC1	2241661920	LQFRMYZRLNDOLI-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)CCl	2241854963	ZGPJBXTUUYWJPD-PBXRRBTRSA-N	229.685	-0.750	50	10	BBGE	
CC(C)OCCNC(=O)C1(B(O)O)CCC1	2243346834	DITNKXAIKNTEBY-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2C=CC[C@H]1CC2	2243356200	CSBLMOSXGRDSKC-ATZCPNFKSA-N	219.049	-0.527	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)C1(B(O)O)CC1	2243359087	OPNJDQBFKXVZMT-RNLVFQAGSA-N	225.053	-0.998	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C2(B(O)O)CC2)CO1	2243363513	HWIRLSBJNBPFCZ-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCOC1	2243364210	SVULMJAEJHQSES-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
O=C(N1CC(CCO)C1)C1(B(O)O)CCC1	2243366110	XNJCHVDXCXUGDL-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
C#CCCNC(=O)c1cc(C)c(B(O)O)s1	2243375430	SSQIVDQFYVFABR-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@@H]2C[C@H]2C1	2243377100	USZQWWWYYKIFIF-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)[S@@](C)=O	2243398920	VHAHSBGDVYVTGU-HYORBCNSSA-N	247.125	-0.733	50	10	BBGE	
O=C(N1CCC[C@@H](O)CC1)C1(B(O)O)CC1	2243410587	DSTXPEZUSIFWST-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)C1CC(B(O)O)C1	2243413202	BFQUUGKNTGYRDI-JECWYVHBSA-N	225.053	-0.223	50	10	BBGE	
C[C@@H]1COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243414239	WOMRJQRFZXYBNE-KHONBHQKSA-N	227.069	-0.610	50	10	BBGE	
NC[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418071	ZWTFAYPBRZEDIO-HXFLIBJXSA-N	226.085	-0.907	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1cc(B(O)O)cs1	2243420090	MMZUZERPUAUFKD-LURJTMIESA-N	247.031	-0.435	50	10	BBGE	
CC#CCCC(=O)Nc1ncc(B(O)O)s1	2243702638	QNHFLCRVCNDBIZ-UHFFFAOYSA-N	238.077	-0.435	50	10	BBGE	
CCN(C(=O)c1cocc1B(O)O)C(C)C	2244205927	PDRMKRNUBTVWRP-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)C[C@@H]2CCCC[C@H]21	2246603751	TUPWHVJBFKARIN-DJLDLDEBSA-N	241.291	-0.872	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)C#CB(O)O)CC1	2247744774	YBBLLWGBOONEAE-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)N1C	2247753215	CVPCWXVKKHOLTI-IUCAKERBSA-N	240.112	-0.456	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1N	2247754318	FIQGFVXFEAFGMX-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
O=C(N[C@@]12CC[C@H]1CNC2)C1(B(O)O)CCC1	2247755853	QZMLGUUZQDFNQJ-GZMMTYOYSA-N	238.096	-0.748	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247784759	ABUGCZQUEKZGPO-KXUCPTDWSA-N	243.112	-0.141	50	10	BBGE	
O=C(NC[C@@H](O)C1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247787187	LZFREVDTFKLASU-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(C)c(B(O)O)o1	2247789404	VOTYZRYSERJLKL-QMMMGPOBSA-N	235.048	-0.591	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800698	ROXYAXPFEUUOFP-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CC(C)[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247841049	DNKPOVRVQABGLI-VHSXEESVSA-N	239.080	-0.726	50	10	BBGE	
CC1(C)CCO[C@@H]1CCNC(=O)C#CB(O)O	2247850670	RKBYYEWZBIARLT-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
CC(C)ONC(=O)c1cccc(B(O)O)c1F	2247870084	DSQNCMHRHJKSRY-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
O=C(N1C[C@@H](O)[C@@H](C2CC2)C1)C1(B(O)O)CC1	2247878796	NIGWJNHZVMMDFY-RKDXNWHRSA-N	239.080	-0.777	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895315	RDYODQFBTQCBOY-DTORHVGOSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2(CCC2)C1=O	2247899168	LAUNIHZEBTVLNG-JGVFFNPUSA-N	237.064	-0.222	50	10	BBGE	
O=C(C(F)F)N1CCc2c(B(O)O)cccc21	2248413994	CXPDZLVOYFYIEO-UHFFFAOYSA-N	241.002	-0.479	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)CC(=O)O	2248586256	YCPBZQAJICNLIR-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
C=CCNC(=O)[C@@H](C)N1CCC(B(O)O)CC1	2249377687	HOINHZGBBRMTFW-SECBINFHSA-N	240.112	-0.384	50	10	BBGE	
CCCOCCOC(=O)NCCC#CB(O)O	2249986234	NYDYIOPABQWDPC-UHFFFAOYSA-N	243.068	-0.455	50	10	BBGE	
O=C(CC[C@H]1CCOC1)NCCC#CB(O)O	2250001534	XYJWOOGNNMDKHZ-JTQLQIEISA-N	239.080	-0.675	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCOC)C[C@H](C)O	2250554843	YZLCWDADBHBDQN-UWVGGRQHSA-N	247.339	-0.526	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250691017	GJVXWOFNLWTYPT-PSASIEDQSA-N	238.096	-0.809	50	10	BBGE	
OB(O)c1cccc(F)c1CO[C@@H]1CCOC1	2251457208	VTAYGRSVKTVWIJ-MRVPVSSYSA-N	240.039	-0.189	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccncc1B(O)O)C2	2255459592	IYOKCUVNKHLAOA-QPUJVOFHSA-N	246.075	-0.757	50	10	BBGE	
C[C@@H](COc1ccccc1)NC(=O)C#CB(O)O	2255475758	BQPMMFGUUMRWRW-JTQLQIEISA-N	247.059	-0.415	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(OC)cc1B(O)O	2255525951	MFOZNQXCPBKQPU-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)[C@H]1C[C@@H](B(O)O)C1	2255562221	RUMIZDFBWFZZEE-CAHJAKTRSA-N	247.103	-0.134	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cn1)C1(C)CCC1	2255585321	GZMYXNSFDXCTMJ-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2CCO2)ccc1B(O)O	2255734791	HNBZILDHVQJWRA-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1CC=CCO1	2256614427	MWSANOLWQLNCKE-SECBINFHSA-N	248.047	-0.955	50	10	BBGE	
N#CC1=CCN(C(=O)C2CN(C3CNC3)C2)CC1	2256819876	XXLHZFNYVSVIBD-UHFFFAOYSA-N	246.314	-0.428	50	10	BBGE	
N#Cc1ccc(C(=O)NCC#CB(O)O)cc1F	2258552071	ZRPYQERUFHGQGP-UHFFFAOYSA-N	246.006	-0.557	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3cc(B(O)O)ccn3)C[C@H]12	2298224631	ULEQJWGHHMCGOD-IQJOONFLSA-N	232.092	-0.146	50	10	BBGE	
O=C(O)[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298463636	PTPGDCOOGPEVCC-OSMVPFSASA-N	241.052	-0.781	50	10	BBGE	
CO[C@@H](C)COc1ccc(B(O)O)cc1C#N	2301341135	LTULANDBZSOBDN-QMMMGPOBSA-N	235.048	-0.348	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2302017961	LCYCJQBRDXKJLP-BBBLOLIVSA-N	247.314	-0.060	50	10	BBGE	
O=C([C@@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@H](B(O)O)C1	2303103533	FMDSYJBOBZIPII-CMWVWWSASA-N	235.092	-0.036	50	10	BBGE	
C[C@@H](CC1CC1)n1cnc2c(B(O)O)ncnc21	2313689356	OIWABGIMBIWTDT-ZETCQYMHSA-N	246.079	-0.133	50	10	BBGE	
CNC1(CNc2ccc(B(O)O)cc2C#N)CC1	2317166965	BNVDXYUAAUHHHJ-UHFFFAOYSA-N	245.091	-0.598	50	10	BBGE	
Cn1cc(Oc2ccc(C=O)c(B(O)O)c2)cn1	2317310518	BJFNRQFLBWUYOD-UHFFFAOYSA-N	246.031	-0.295	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1CC(N)C1	2317349778	IWQQXAHJJDIZKG-UHFFFAOYSA-N	248.091	-0.895	50	10	BBGE	
CCC(CC)N(CCO)CC(=O)NNC(C)=O	50113324	MZQNEOOGVOIPGJ-UHFFFAOYSA-N	245.323	-0.363	50	10	BBGE	
CSc1nnc(C(=O)NN)n1C1CC1	75848702	ATENQHHVKGOCSQ-UHFFFAOYSA-N	213.266	-0.062	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(=O)CC1	82469039	KJPAIVGQCCBRMB-QMMMGPOBSA-N	213.281	-0.190	50	10	BBGE	
NNC(=O)c1cccn(C[C@@H]2CCCO2)c1=O	82664491	UCOGSPCUWTXUJU-QMMMGPOBSA-N	237.259	-0.369	50	10	BBGE	
CC[C@H](Oc1cccc(C(N)=O)c1)C(=O)NN	110560167	XZXXEDCNFAPFPY-VIFPVBQESA-N	237.259	-0.067	50	10	BBGE	
O=C1[C@H]2C[C@H]2C(=O)N1C[C@H](O)CCl	157842239	LRSQFWXIVJLARJ-PBXRRBTRSA-N	203.625	-0.409	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(C(N)=O)CC1	211748006	KXKRKVJCPVXDQW-VIFPVBQESA-N	242.323	-0.658	50	10	BBGE	
COC(=O)N1CCC[C@H]1CC(=O)NN	214297199	IDLUYSKIZAISDV-LURJTMIESA-N	201.226	-0.403	50	10	BBGE	
COCCOc1ccc(OC)cc1B(O)O	228667095	ZUNJDIKJKVQFLJ-UHFFFAOYSA-N	226.037	-0.600	50	10	BBGE	
CN(C)CCCOc1cc(B(O)O)ccc1F	229337418	HNKJFEFSERWEID-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
CC(C)(CNS(=O)(=O)CCl)C(N)=O	230408555	YBZFMPBFJLZCQT-UHFFFAOYSA-N	228.701	-0.386	50	10	BBGE	
C[C@H](CCO)NS(=O)(=O)CCCl	232301030	NXQUBOFHYIYMPM-ZCFIWIBFSA-N	215.702	-0.085	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCSCC1	232420100	IATDPUYJYYJKNH-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
CC[C@H]1CN(C[C@H](C)C(=O)NN)CCO1	251833981	QEZBGZCBDZLYSL-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
Cc1nc(C2CCNCC2)ccc1B(O)O	309182275	FFLRXGKVJXMKDW-UHFFFAOYSA-N	220.081	-0.463	50	10	BBGE	
COCC(COC)OCCCCC(=O)NN	309352757	MSYJGDIQHGQRGR-UHFFFAOYSA-N	234.296	-0.175	50	10	BBGE	
C[C@@H](O)CN(CCO)C[C@H](Cl)C#N	379360737	BSJYNEOBMXHVCM-HTQZYQBOSA-N	206.673	-0.208	50	10	BBGE	
CC(C)[C@@H]1OC[C@H](O)C1=NNC(N)=O	383978092	UHZIUUZNHUYJNN-FSPLSTOPSA-N	201.226	-0.574	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)C1[C@H]2COC[C@H]12	385897727	FHVVJPQAAOOCJO-LYFYHCNISA-N	247.678	-0.225	50	10	BBGE	
NNC(=O)CCCn1cnc2c(c1=O)CCC2	395617506	KJBJYTQETIJODE-UHFFFAOYSA-N	236.275	-0.498	50	10	BBGE	
CC(C)(CCN1CC[C@@](C)(O)C1)C(=O)NN	395828259	YSKAAYJEEAFMKT-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
N#CCc1cc(CCC=O)ccc1B(O)O	396136073	HBVRQYJPFMMXOQ-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
N#Cc1ccc2c(B(O)O)csc2c1CO	396229766	WUNFHWHXZPYEJP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
COCC(=O)N[C@H](C)c1cccc(B(O)O)c1	405010651	PREHKGFUIRRNAV-MRVPVSSYSA-N	237.064	-0.810	50	10	BBGE	
Cc1nn([C@@H]2CCOC2)c(C)c1B(O)O	575596865	JPSLHCNXMCGURO-MRVPVSSYSA-N	210.042	-0.859	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CCC[C@@H]21	584949577	NFWFBYQPBNWKTF-JQWIXIFHSA-N	245.087	-0.009	50	10	BBGE	
O=C(O)c1ccc(N2CC[C@H](B(O)O)C2)nc1	585078849	NRABZVOSPMSZOO-QMMMGPOBSA-N	236.036	-0.167	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CN(C)CC(=O)NN	686389326	QSSAHHAEDNULJW-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CC(C)(CN1CC[C@@H]2COC[C@H]2C1)C(=O)NN	690725375	YZESBHZCBNWKSE-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
CC(C)N(C[C@@H](C)O)[C@H](C)C(=O)NN	692171148	AVDHBWZFJCIJCG-HTQZYQBOSA-N	203.286	-0.544	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=S)n1cccn1	700847725	IOAUZXYCFRNUKN-YFKPBYRVSA-N	213.266	-0.692	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](N2CCC2)C1	705329541	AGAZCIWEGGNFBH-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@H](C)O)C1CC1	709378450	RQDNAXPIDARKBS-CBAPKCEASA-N	215.297	-0.400	50	10	BBGE	
CC(C)(C)[S@](C)(=O)=NC(=O)C(=O)NN	710098585	OCZOUXGTCDYEFA-AWEZNQCLSA-N	221.282	-0.601	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1CCc2cc(B(O)O)ccc21	712219006	KUPMSVFGMBVQEU-LDYMZIIASA-N	245.087	-0.089	50	10	BBGE	
CC(C)(CN1C[C@H](F)[C@H](F)C1)C(=O)NN	714557902	JGEHWOSHBLHHTR-KNVOCYPGSA-N	221.251	-0.006	50	10	BBGE	
CC1(C(=O)NCc2ncc(B(O)O)s2)CC1	714637889	OBBQTTDJAJAQQE-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@H]1CCCN2C	720443543	GDMBVRFTQDNJDS-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)C1=NCN=C1	725663759	LOHVGEKKGXGXNT-VDTYLAMSSA-N	215.640	-0.408	50	10	BBGE	
CO[C@H](C(=O)NNC(C)=O)C1CCC1	854155656	SRJLDDDYMJHQIW-QMMMGPOBSA-N	200.238	-0.031	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NCCCOC	900384844	MJLRDCHMNIMOHO-QIUOEGRZSA-N	245.279	-0.710	50	10	BBGE	
O=C1N[C@H](Br)CN2CCN[C@H]12	952958915	OVDZRLBXCHOZEN-WHFBIAKZSA-N	220.070	-0.932	50	10	BBGE	
O=C1C[C@H](NS(=O)(=O)CCCl)CCN1	1253551039	PMQGPMADVWNSRK-ZCFIWIBFSA-N	240.712	-0.577	50	10	BBGE	
Cc1cc(NNC(=O)c2cnn(C)n2)ncn1	1558934829	OQCMTGAIEAGGQD-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)c1ccc[nH]1	1628742154	UADVKNDPSQKUEI-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
Cc1cccc(NNC(=O)Cn2nnc(N)n2)n1	1630057318	AXIHGTRVPJAYHE-UHFFFAOYSA-N	248.250	-0.898	50	10	BBGE	
Cc1cc[nH]c1C(=O)NNC(=O)c1cnn[nH]1	1632920317	QNCPGLNBEBXJPN-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H](CO)[C@@H](C)O	1881836805	DVNAFQVFNFMAHA-QYNIQEEDSA-N	209.673	-0.281	50	10	BBGE	
C#C[C@@H](CCl)N=c1[nH]ccn(C)c1=O	1884829880	WYYWMOYEEFUBOB-ZETCQYMHSA-N	211.652	-0.145	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1(CO)CC(O)C1	1890899814	JNCGAVSTSCJOKJ-PTNSZRNDSA-N	221.684	-0.137	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@@H]3C2)nc1	1895125820	JVVHLYCONFOOGW-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CC1(C(=O)NN)CC1	1907895297	ZLQHHSGLFLQDTG-OPRDCNLKSA-N	239.319	-0.134	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(CC2(C(=O)NN)CC2)C1	1909261893	OJYCWDJCWDIELB-RKDXNWHRSA-N	245.298	-0.185	50	10	BBGE	
CCOCCOC[C@@H]1CCC[C@H](C(=O)NN)O1	1909804415	FSLBSEWDSPQINL-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CC=CC=CC(=O)Nc1ncccc1B(O)O	1913627667	GNECTEGFOVDFOW-UHFFFAOYSA-N	232.048	-0.168	50	10	BBGE	
CC[C@@H]1CCOCCN1CCOCC(=O)NN	1913641537	LFRQVMLTCYVTTR-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)C2(CCC2)C1)C(=O)NN	1914019218	NSGVIKHADFJEGT-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
Cn1cnnc1SCC(F)(F)C(=O)NN	1927812374	JQGAHUWMLJBCNC-UHFFFAOYSA-N	237.235	-0.468	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1927867087	QIRKJVWFFWPYIR-RNJXMRFFSA-N	219.260	-0.840	50	10	BBGE	
CN1C[C@H](NCc2nnn(C)n2)[C@H](Cl)C1	1928754656	DFFXHVBMBIRVLZ-RQJHMYQMSA-N	230.703	-0.779	50	10	BBGE	
O=S(=O)(CCl)N=c1cncc(F)[nH]1	1929047626	IRSUELPZGREIPR-UHFFFAOYSA-N	225.632	-0.024	50	10	BBGE	
O=C(NNCCO)C(F)(F)C(F)F	1929834081	VUIUJSAWVZOYPN-UHFFFAOYSA-N	204.123	-0.500	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNCCO)C[C@@H](C)O1	1929835644	VUYYANFHNGTNPG-BRPSZJMVSA-N	216.281	-0.197	50	10	BBGE	
O[C@@H](CCl)CN1CC(N2CCC2)C1	1932055692	GSXGUVWIVCGNME-VIFPVBQESA-N	204.701	-0.024	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)CCC(=O)NN	1932221863	PKVOOLYCTSZKEX-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CCOCC1	1936093208	BRZKGHYNZIZWFH-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CN1CCCC12CCN(CC(=O)NN)CC2	1936460978	CRJHPGDBBUNOFU-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@@H](C2)C1	1936536452	VYGPYMPCABERLW-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1C1CCOCC1	1936637909	RPNYILJLCXFKOW-QMMMGPOBSA-N	227.264	-0.996	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC(F)(F)CO	1938127332	LDOVLBQLTXAICJ-NKWVEPMBSA-N	237.250	-0.828	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](F)C1	1939258279	UXLUDLJCWRRBTR-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
COCCN(CCOCC(=O)NN)CC(C)C	1941774214	GXRHENFDIPQSBO-UHFFFAOYSA-N	247.339	-0.403	50	10	BBGE	
N#CC1(O)CCN(C(=O)CN2CCCC2)CC1	1943944929	QRYHLNPCCHIHBC-UHFFFAOYSA-N	237.303	-0.041	50	10	BBGE	
O=C(NNCCO)c1cc(F)ccc1[N+](=O)[O-]	1944215198	FFMGGAKSKOOWAZ-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C[C@@H]1C	1944574544	WNTXFKMMFQUETH-QEYWKRMJSA-N	245.323	-0.918	50	10	BBGE	
CO[C@@H]1CCO[C@H](CN2CC(=O)OC(=O)C2)C1	1948576720	HDIAWERRRSPOQA-BDAKNGLRSA-N	243.259	-0.434	50	10	BBGE	
CCN(CC(=O)NN)[C@@H]1CCSC1	1953976965	LLBVNMZEQQQCKZ-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@H]1CCl	1954198659	ZRVJUXPCMKNTSA-NTSWFWBYSA-N	201.661	-0.081	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@@H](O)C(=O)OC	1955557147	DGGBBICRBMNLEJ-PHDIDXHHSA-N	223.656	-0.346	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C[C@@H](O)CCl)C1	1956252925	WFSRMARGJGOXTR-RQJHMYQMSA-N	221.688	-0.671	50	10	BBGE	
COC1(CN(C)CCC(=O)NN)CC1	1956525198	JLOWMMHPXIXKMJ-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CO[C@H](CN2CC(=O)OC(=O)C2)C1	1957584463	OHFHRLGFUZFLPJ-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
CC(C)N1CC[C@H](N(C)CC(=O)NN)C1	1958581688	QWOWUUZEWJNAGA-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CCC(=O)NN	1958734378	JKHVDJYBJZAYBV-BDAKNGLRSA-N	212.297	-0.998	50	10	BBGE	
CON(C1CCOCC1)[C@@H](C)C(=O)NN	1960107855	HPVZKBWCRVIZDQ-ZETCQYMHSA-N	217.269	-0.593	50	10	BBGE	
OB(O)c1csc(N2C3CCC2CC3)n1	1961718351	NHORFFKCGAMDMG-UHFFFAOYSA-N	224.094	-0.046	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C2(CCCC2)C1	1962239943	NRAPBVGBPWMARX-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
CCCOCC(=O)N1CCC(B(O)O)CC1	1964499563	ANFXCLYLFOBHOB-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
C[C@H](CN1CC[C@H]1c1ncon1)C(=O)NN	1976762112	XMZCNZNOGCJFLF-RQJHMYQMSA-N	225.252	-0.558	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](F)C2)n1	1981468788	ILDHRSFEYSBSKB-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
OB(O)c1cnc(N2CC3(CC3)C2)c(F)c1	1981471663	KCGIPXKEZQLVEM-UHFFFAOYSA-N	222.028	-0.499	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@H]1F	1982679541	SEODVASOGSOCML-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]2CC[C@H](C1)O2	1985270356	PHFJWDUDPJYXGQ-ILWJIGKKSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2[C@H]1CCN2C	1986250464	YITZTKZCOZLSNY-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2CCC(=O)NN	1987530075	PFRVZCGDUDIWCB-ZJUUUORDSA-N	226.324	-0.467	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@@H](C2)C1	1990774297	HATRHWOFAUWENL-UWVGGRQHSA-N	225.292	-0.114	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)/C=C/C(=O)Cl)[C@H]1O	1992725543	DXBNTWYEAHVPIG-RPPHBSHKSA-N	247.678	-0.038	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@]2(CO)C1	1993221276	OFTFWMNPNPLJAF-YSSBGUOXSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CN[C@@H](C(=O)N2CCC(O)(C#N)CC2)C1	1997068148	IRIVUBIRMWJHPF-VHSXEESVSA-N	237.303	-0.139	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCn1ccnc1C	1997479732	RKIRBNUAOGSZOX-SNVBAGLBSA-N	239.323	-0.108	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](n2cccn2)C1	2004327832	SDFAXFKIFSPQKP-JTQLQIEISA-N	237.307	-0.100	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)c2ccncc2B(O)O)C1	2004913312	DLGDFXPMIGWNCI-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
CN(CCCC(F)F)c1ncncc1B(O)O	2004917675	XSIDIDSIKQHJOQ-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CC(C)(C)C1	2004918827	QMXHJXSIBMEAFO-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC(F)(F)F)n1	2004932987	ARAOSOAZAHPZGX-UHFFFAOYSA-N	249.985	-0.286	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2005808908	QNFBXIZKEPLXRT-PEFMBERDSA-N	230.076	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC(O)C[C@H]2C1	2012899435	FZBZEOHDPBQRJX-XKNYDFJKSA-N	241.335	-0.296	50	10	BBGE	
COCCOCCCN(C)CCCC(=O)NN	2013417233	GXIKENLPJZOGGO-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
CN1CCCC12CN(CC(C)(C)C(=O)NN)C2	2013603205	WKFPGVHUBUNYLS-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H]2[C@@H]1CO	2021740202	PUBSINIKYKTKGM-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccccc1B(O)O	2022195938	DHHYNTNDKSOJDJ-SECBINFHSA-N	233.076	-0.009	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2024087734	ZQUTTXYBJDSTRT-IMSYWVGJSA-N	241.335	-0.296	50	10	BBGE	
Cn1ccnc1C(=O)N1CCC(O)(C#N)CC1	2024423022	WKBSDBQKFYDKNP-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](OCCCO)C1	2026096949	SPUOVHFUIGIZIP-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CCc1nccn1-c1nc(C)nc(C)c1B(O)O	2052605073	ZPJPNNKIRXHMIT-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(CCOC2)C1	2052626832	GHTMDDBOENRTRB-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1CCc2cccc(B(O)O)c21	2055629655	BFLGYBMRTLTTHG-WCBMZHEXSA-N	249.050	-0.387	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071020726	ADDPLKDUIBKPNL-UBVHSMIISA-N	246.075	-0.563	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]1c1ccccc1	2077492826	RMRGHXUWEOKEAN-VXGBXAGGSA-N	243.071	-0.078	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32	2086996403	YEEOSEFJKPZZDP-ZXPJBKCYSA-N	243.071	-0.350	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN(C)CCOCC(=O)NN	2211602263	QKBSVZMLFCDXLH-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C/C=C/CCCN=c1ncc(B(O)O)c[nH]1	2212602402	CUEYANMUDPWLDO-NSCUHMNNSA-N	221.069	-0.654	50	10	BBGE	
C#C[C@H](Oc1ncc(B(O)O)cn1)C(C)C	2212609449	RUYMCOHPYFQENV-VIFPVBQESA-N	220.037	-0.807	50	10	BBGE	
CC=C1CCN(c2ncccc2B(O)O)C1	2212610443	IVTKWDVSQMACKI-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954439	CXBHBJRULWHXMF-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215776775	OVMGQTYBGLVWMF-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCO2)cc1B(O)O	2217184975	XGGIPEGMGFSXOC-VIFPVBQESA-N	236.080	-0.339	50	10	BBGE	
N[C@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2217198026	VFDUHKIVCONNBB-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3COC[C@H]32)nc1	2217201946	GQXSAJNFWGEMHL-SZEHBUNVSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@@]3(F)C2)c1	2217204434	JQOQWEPAQZFWOH-LDYMZIIASA-N	236.055	-0.300	50	10	BBGE	
N#Cc1cccn(C[C@@H]2CC[C@@H]2C(=O)NN)c1=O	2221566907	LXPASEABMQKISL-UWVGGRQHSA-N	246.270	-0.264	50	10	BBGE	
OB(O)c1ccnc(N(C2CCC2)C2COC2)c1	2223635627	ZNYLRUNPJXDTOH-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
C=C[C@@]1(C)COCCN1c1cc(B(O)O)ccn1	2223643355	UZAISZDLIHKKCX-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCCN2)cc1B(O)O	2223645542	AOUQAVIALDNERU-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(N2C[C@@H](N)C(C)(C)C2)cc1B(O)O	2223654164	XTSQJYWWNAEFQH-SNVBAGLBSA-N	249.123	-0.757	50	10	BBGE	
NCC[C@@H]1CCCN(c2ncccc2B(O)O)C1	2223668470	ZRFUVIKXSHEBMT-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1Nc1cc(B(O)O)ccn1	2223671674	PEXUHJUSFUIJJB-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
O=S(=O)(NC1CC(O)C1)N1CC(Cl)C1	2241353249	FEMVTSWGFMMEQQ-UHFFFAOYSA-N	240.712	-0.733	50	10	BBGE	
C[C@@H](F)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2241496934	XLEMRGIOSVOUMN-VQVTYTSYSA-N	203.022	-0.286	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1coc(B(O)O)c1	2243348469	YAKKIAYPQPKFII-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
COC1(CNC(=O)C#CB(O)O)CCCC1	2243356565	JPQKSLVCWPVJPW-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C	2243364283	UOXVHBXWNDGZEY-CSMHCCOUSA-N	227.069	-0.467	50	10	BBGE	
CC[C@H](COC)NC(=O)C1(B(O)O)CCC1	2243366032	WKIWADGXMIEHDV-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)[C@@H]1C[C@@H]1B(O)O	2243382264	MMMSDWCGHXWHCY-YZUIMFRBSA-N	221.065	-0.380	50	10	BBGE	
CN(C)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383605	ZSIVZTDYSDGTCK-DTORHVGOSA-N	228.101	-0.693	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1=O	2243391478	LCBRZKCFUWACFK-BWZBUEFSSA-N	225.053	-0.366	50	10	BBGE	
O=C(NCc1ncc[nH]1)[C@H]1C[C@H](B(O)O)C1	2243391725	NKTZIEFOTAUAFI-LJGSYFOKSA-N	223.041	-0.721	50	10	BBGE	
O=C(Nc1cnoc1)c1coc(B(O)O)c1	2243398088	MFWKGTVAYRNDBQ-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1O	2243409674	MQUASLJKXDRZSF-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC2(CC2)C1	2243412667	RAJKIZXBCQURJH-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
CCn1ccnc1NC(=O)[C@H]1C[C@H]1B(O)O	2243415380	TTZMABCPKCYVNR-NKWVEPMBSA-N	223.041	-0.296	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@H]1CC)B(O)O	2243433873	RESGMSROMHYUGB-RKDXNWHRSA-N	247.125	-0.337	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCN(C)C(=O)C#CB(O)O	2247744176	OSFOKBMKSQXQNA-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(C2CC2)C1	2247747389	MXOOHWUOCKCWPC-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
O=C(N1CCCC[C@@H](CO)C1)C1(B(O)O)CC1	2247751407	XJOVHQIDKLOANA-SECBINFHSA-N	241.096	-0.386	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247787233	MIJMKRKOTRBFRI-XHNCKOQMSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC[C@H]1CC[C@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247787999	XRXUAOMYCIYKMF-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)C1CC(B(O)O)C1	2247797932	OOIUYENHRPTWLT-IDKOKCKLSA-N	240.112	-0.645	50	10	BBGE	
O=C(Nc1ccc(CO)cc1)[C@@H]1C[C@@H]1B(O)O	2247806917	OXHSGUWNFGJKDK-ZJUUUORDSA-N	235.048	-0.020	50	10	BBGE	
COC[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807409	HWWLZXFGBAYKTM-ZYUZMQFOSA-N	241.096	-0.362	50	10	BBGE	
CCCc1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH][nH]1	2247808514	LHRCCDCJWNQUHN-JGVFFNPUSA-N	237.068	-0.415	50	10	BBGE	
COCC1(CNC(=O)C#CB(O)O)CCCC1	2247850771	SNXAZQKQQJAHBB-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
O=C(NCC[C@@H]1CCCCN1)[C@@H]1C[C@H]1B(O)O	2247898971	JAPRKJVQLJFZJE-IVZWLZJFSA-N	240.112	-0.502	50	10	BBGE	
O=C(O)CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2248573197	AOKSDPPPVWBWNG-YUMQZZPRSA-N	241.052	-0.685	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248575178	YNNLOGPELDMNIR-FXQIFTODSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CCC1	2248576368	FZTRITYASKVIBI-RQJHMYQMSA-N	241.052	-0.543	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588057	YNXPOEVYRCBAFH-DKXJUACHSA-N	241.052	-0.687	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(CCF)C1	2249427474	GWZUWCWPKAGGMG-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CC[C@H]2C1	2255519997	DZCLYCWLCOFCJK-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
O=C(Nc1ccc(F)cc1)c1c[nH]nc1B(O)O	2255546552	HCSNRSRYAWMIIG-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cn1cnc2c1CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2255577995	BSWDOJAZEOFCQF-HTQZYQBOSA-N	249.079	-0.832	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1coc(B(O)O)c1	2255728992	OPVNKKZQJGWVLA-LNRQSERFSA-N	247.059	-0.656	50	10	BBGE	
O=C(NCC1=CCCCC1)c1cc(B(O)O)n[nH]1	2255765368	OVTAZGQXSMYPAT-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1ccncc1	2258130656	KGKPSJYVNIZGDM-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
CC[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCO1	2298368710	SYZMBODQHAGPNH-YWVKMMECSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)C1(B(O)O)CC1	2298375091	PIJDOXADURCBAV-RBXMUDONSA-N	239.080	-0.731	50	10	BBGE	
CCc1cnccc1CN(C)C(=O)C(=O)NN	2301800321	IPBURWIKHXHUMO-UHFFFAOYSA-N	236.275	-0.408	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1	2303098397	XEEDNDRPLZRDAF-ZNSHCXBVSA-N	241.096	-0.661	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2C[C@@H]3OCC[C@@H]3O2)C1	2303158399	LYRSFTACDFSETM-NAKRPEOUSA-N	241.096	-0.519	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCC[C@@H]2O)ncc1F	2303847676	MNWWGADSZULUEE-IUCAKERBSA-N	240.043	-0.774	50	10	BBGE	
O=C(NC[C@@H]1O[C@H]2CC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2307471840	UBFBAXGPUACAHK-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
C#CCCCOC(=O)Nc1ccnc(B(O)O)c1	2316375320	GSXUUTAQXKZGIS-UHFFFAOYSA-N	248.047	-0.277	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cc1C#N)N(C)C	2317150820	JVDKAVZXSVMXLH-SECBINFHSA-N	248.091	-0.433	50	10	BBGE	
CC(C)(CCN)Nc1ccc(B(O)O)cc1C#N	2317160758	HXGUFLMLEROHNQ-UHFFFAOYSA-N	247.107	-0.223	50	10	BBGE	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)NN	42440723	HCNVQKBRVNULOT-PHDIDXHHSA-N	200.242	-0.845	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(OC)CC1	82467385	DPDPWGGXZWHLOS-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ccnc2)O1	82468529	NQAVCAJGIOERGX-HTQZYQBOSA-N	210.237	-0.579	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C)C(=O)C1	82774620	KVRMYZBTQCYRPK-LURJTMIESA-N	204.657	-0.086	50	10	BBGE	
NNC(=O)c1coc(CSC[C@H](O)CO)c1	86661891	XHGLAHGKLMUJRQ-SSDOTTSWSA-N	246.288	-0.531	50	10	BBGE	
NC[C@@H]1CCN(Cc2cc(C(=O)NN)co2)C1	104111724	RZIIGPZQWBMLQF-QMMMGPOBSA-N	238.291	-0.336	50	10	BBGE	
C[C@@H](C#N)CN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	110586984	LSIRKZPQCIDYOB-LPEHRKFASA-N	240.307	-0.385	50	10	BBGE	
NC(=O)[C@H]1C[C@H](F)CN1C(=O)CCl	141039390	VVZYUTHLZPRBJG-CRCLSJGQSA-N	208.620	-0.351	50	10	BBGE	
CC(C)(CN1CC[C@@H](CCO)C1)C(=O)NN	159980583	RFOXCLQRPKTWDO-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
C[C@H](CN1C[C@H](CO)OC(C)(C)C1)C(=O)NN	164359779	SUXRNYCNXBWWNA-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)c1nc(COC2COC2)cs1	165766877	JGPWFPOMPIOAJO-UHFFFAOYSA-N	229.261	-0.338	50	10	BBGE	
CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	167563071	DEFVYNIQASSFCI-NTSWFWBYSA-N	240.712	-0.290	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)CS(C)(=O)=O	167617810	BDFQWYPPUNGLJG-YFKPBYRVSA-N	249.741	-0.465	50	10	BBGE	
C[C@H](CN1CCC[C@@H](CO)C1)C(=O)NN	216468247	IRXRLXYWOUWDAP-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](CC(=O)NN)C1	216920707	FVZZSBGYXGITKK-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NCCOCCO	216975274	PAJUAJMAWBBUAJ-KTKRTIGZSA-N	241.291	-0.481	50	10	BBGE	
CCNN(C(=O)CC)[C@@H]1CCS(=O)(=O)C1	227127732	KHYYDQVUAGNFKB-MRVPVSSYSA-N	234.321	-0.063	50	10	BBGE	
C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)CCl	228824846	BLXJUEBRCPGZRP-SFYZADRCSA-N	241.740	-0.295	50	10	BBGE	
COc1cnc2cccc(B(O)O)c2c1	238374564	OXDCYINCADHPDO-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	250707139	YTPZQIMPHOEMSZ-IUCAKERBSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)[C@@H](CO)C1	306185876	APZGYKAQJDMZLJ-RRKCRQDMSA-N	207.657	-0.575	50	10	BBGE	
O=C(CO)NNC(=O)C(F)(F)Br	306211033	DJUNTZASMJHYDW-UHFFFAOYSA-N	246.995	-0.886	50	10	BBGE	
NNc1cccc(Br)c1B(O)O	307133958	ZEOFBHBQHFVUAP-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
NC(=O)N1CCC(NC(=O)CCl)CC1	307604386	VZGGWJMHSYUJOX-UHFFFAOYSA-N	219.672	-0.116	50	10	BBGE	
CCOC(=O)NNS(=O)(=O)C(C)C	308406162	JSOJAXOYDBIZHL-UHFFFAOYSA-N	210.255	-0.025	50	10	BBGE	
C[C@]1(O)/C(=N\NC(N)=O)CC[C@H]1C(=O)O	379702162	JRIYTNCQDUWDTE-MGQBLUAESA-N	215.209	-0.744	50	10	BBGE	
CN1CC[C@H]2CN(CCCC(=O)NN)C[C@@H]2C1	380093443	VLBDBPNEBJXCLE-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)CNc1ccc(C(N)=O)cc1	381854662	UPNFOJVNIITDEZ-UHFFFAOYSA-N	208.221	-0.813	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCl)C(N)=O	382230282	CTOPGMBZLIUZIV-BYPYZUCNSA-N	214.674	-0.634	50	10	BBGE	
CC(C)C1(O)CN([C@H](C)CCC(=O)NN)C1	383976674	KHMFSTSDDKWRKZ-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CCOc1cnn(C[C@@H](C)C(=O)NN)c1	389379589	PSRPSDUURLCTHM-SSDOTTSWSA-N	212.253	-0.092	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(B(O)O)c(CO)c1	396042293	REGJBXZCHXCFJT-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
COC(=O)Cc1ccc(B(O)O)c(CCC#N)c1	396042991	UGGJTXAZJNOWAF-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
COc1cc(B(O)O)ncc1C(F)(F)F	396120394	MWUXNQKMVFCTFK-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
Nc1cc2scc(B(O)O)c2cc1C=O	396271485	JCRNMRRRINVIQO-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC(C)C[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396499602	VBLTXZHEKSSRDL-NWDGAFQWSA-N	237.108	-0.227	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398851318	VGOHLHLGPSLFHI-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)CN1CCC(CCCO)CC1	400996041	BVPHWZJHMINTQU-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
Cn1ccc(C(=O)Nc2cccc(B(O)O)c2)n1	405008282	RFMDUKMVNYSRBF-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C#CCOC(=O)N(C)Cc1ccccc1B(O)O	405087556	QMZDCZGHOKIYJQ-UHFFFAOYSA-N	247.059	-0.432	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CCC[C@H]21	584948569	IGUWTRVNLFEALT-CMPLNLGQSA-N	245.087	-0.009	50	10	BBGE	
O=C(CCCl)N[C@@H]1C(=O)OC[C@@H]1O	675079001	DIWASVCHXNUOGG-NJGYIYPDSA-N	207.613	-0.982	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@H](C)[C@H](C)C(=O)NN	689809076	FDHLFJIBFWDLBC-NGZCFLSTSA-N	247.339	-0.670	50	10	BBGE	
Cc1nn(CC[C@@H]2CCCO2)c(C)c1B(O)O	694274822	DTCDIFODDMPAEH-JTQLQIEISA-N	238.096	-0.251	50	10	BBGE	
COCCN(C)[C@@H](CC(C)C)C(=O)NN	695078532	NGZAHNXLPCICMT-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOC[C@@H](O)C1	695120618	ZXPGRANAUYMFOT-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCc2ccccc2O1	701932175	PKIKOVBQOLBVRP-SNVBAGLBSA-N	235.048	-0.492	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1ccon1	702080324	SGOZOIILAACKLE-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CO[C@](C)(CO)CNS(=O)(=O)CCl	702482079	SPJRJQLCSHZQGZ-LURJTMIESA-N	231.701	-0.501	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1ccnc1[N+](=O)[O-]	702741474	ZDSUFSKLJQIDQC-WDSKDSINSA-N	227.224	-0.022	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccn(C)n1	723523555	KXZGWYDCTJRJNG-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
NC(=O)N1CCCc2ccc(B(O)O)cc21	725672059	FERWKUUVHJIEMA-UHFFFAOYSA-N	220.037	-0.802	50	10	BBGE	
CNC(=O)NN=C1CC(=O)N2CCC[C@H]12	799477708	GIMKEFSQMAXHGQ-SSDOTTSWSA-N	210.237	-0.334	50	10	BBGE	
C[C@@H](N)CCC(=O)N1CCC(O)(C#N)CC1	821981678	XDUSRJGCAYFPES-SECBINFHSA-N	225.292	-0.009	50	10	BBGE	
CNC(=O)NN=Cc1nc(CO)cs1	1334886450	KZTDILOKZMGYQQ-UHFFFAOYSA-N	214.250	-0.102	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccc[n+]([O-])c1	1623763275	DIUPPTDKYOEKCQ-UHFFFAOYSA-N	225.204	-0.337	50	10	BBGE	
Cc1nccn1CC(=O)NN(C)C(N)=O	1630877820	HCZIKYZEGFDNTD-UHFFFAOYSA-N	211.225	-0.767	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(N)ccn1	1631193950	PHCSHMIDIJYQKX-UHFFFAOYSA-N	223.236	-0.372	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@@H](O)[C@H](O)C1	1877521502	XLFPVGKNIOPWBW-DWYQZRHDSA-N	219.668	-0.432	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1CC(O)C1	1883627794	ZHRRZVGCCZNLRP-UHFFFAOYSA-N	203.625	-0.053	50	10	BBGE	
CON(C)CCC[C@@H]1C[C@H]1C(=O)NN	1887613701	QQYVKUKRHIMKRQ-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@H]1COCCN1	1893106777	HVJMUYNLLBGTNF-BIIVOSGPSA-N	218.684	-0.282	50	10	BBGE	
C=C(COCCN(CC)CC)B(O)O	1895096453	CMAMKHSJYMBESX-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ccc(B(O)O)cn1	1895125408	DFAFTVJZSPXIOQ-BDAKNGLRSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@H]2CCO2)c1	1901307612	UIIFTHLPIRNXQH-SECBINFHSA-N	226.012	-0.327	50	10	BBGE	
CC[S@](=O)Nc1ccc(OC)c(B(O)O)c1	1901349890	FRJOGJBJJFLXET-INIZCTEOSA-N	243.093	-0.530	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1CC[C@@H]1N	1901375367	KTYGDVJZYQFUME-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@]12C[C@H]2N	1901377236	LOQHNSRMARFEAJ-OOZYFLPDSA-N	247.320	-0.964	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)[C@H](C)C1)C(=O)NN	1902715947	MLKQTPYKEARSLH-KKZNHRDASA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2COC[C@@H]21	1908819626	SGAHBMSBQROINN-APPZFPTMSA-N	237.259	-0.286	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CC[C@@H]2C1	1908993598	VVBBQVALQHJQNN-VHSXEESVSA-N	232.092	-0.002	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2C[C@H]2C)c1B(O)O	1909570857	SSLOVRUXLLMLFM-VXNVDRBHSA-N	235.096	-0.443	50	10	BBGE	
C[C@H]1COc2ccccc2[C@]1(N)B(O)O	1912278421	YZBFSICQJYRDAF-XVKPBYJWSA-N	207.038	-0.119	50	10	BBGE	
CC(C)(CN1CC2(CCOC2)C1)C(=O)NN	1915584562	ZZOGFSVZCNQRSM-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@@H]1C[C@@H]1C(=O)NN	1927910218	DRCMODKLNQCBMG-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)CSC1=O	1927911815	RPVKZFIPGARMNS-RFZPGFLSSA-N	229.261	-0.692	50	10	BBGE	
C[C@H]1C[C@H](Cl)CN1C(=O)Cn1cnnn1	1928697205	WVNHKHZZVLXCOS-BQBZGAKWSA-N	229.671	-0.099	50	10	BBGE	
COC[C@H]1CN(C(=O)NN)C[C@@H]1COC	1929909752	UQRJBUGZPPTPOV-HTQZYQBOSA-N	217.269	-0.590	50	10	BBGE	
CCC[C@@]1(O)CCN(CCC(=O)NN)C1	1930885401	IYVFHBXYUQEREV-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
C[C@@H]1[C@@H](CN(C)CC(=O)NN)C1(F)F	1933036424	SULUEPXFXWBYTO-PHDIDXHHSA-N	207.224	-0.191	50	10	BBGE	
CCn1ccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1936081646	ABJUDZLTWOAVRS-HTQZYQBOSA-N	224.264	-0.704	50	10	BBGE	
COCC1(N(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1936089380	VAXBCOOLENATCX-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CCNC1CCN(CC(=O)NNC(C)=O)CC1	1942875581	JVCCNGLCEXCCLC-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCc1ncccn1	1943084865	KIJVREKMYLRPKA-SECBINFHSA-N	237.307	-0.281	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CC1(C(=O)NN)CC1	1945888936	JAHMVPOYSUCKIR-AOOOYVTPSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)CCCN1CC2(F)CC1C2	1956498706	RLOJWILEOAQASI-UHFFFAOYSA-N	201.245	-0.057	50	10	BBGE	
O=C(NC1[C@@H]2CS(=O)(=O)C[C@@H]12)OCCl	1957280415	KAGBAHBROLLNGD-RFZPGFLSSA-N	239.680	-0.048	50	10	BBGE	
CNNC(=O)C1C[C@@H](OC)[C@H](OC)C1	1957300826	FKESVGLKXZJLKQ-HTQZYQBOSA-N	202.254	-0.323	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1CCOCCCl	1960158789	GBSIHLNLFPBLCS-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)[C@@H]1C	1961695812	JOHOTDGDUHXIGJ-HTQZYQBOSA-N	206.054	-0.394	50	10	BBGE	
CN(CCN(C)C1COC1)C[C@H](O)CCl	1961836758	GVHSIUSPGMPGQZ-SNVBAGLBSA-N	236.743	-0.152	50	10	BBGE	
NNC(=O)CCOCCCN1CCCC1	1974678121	LYVMEEJQOFBHFO-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
CN(C)CCCOCC1(C(=O)NN)CC1	1974680205	XMSXASSVJOAJQM-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)CC12CCC2	1975982251	KVLNSDYIOFAEBY-UHFFFAOYSA-N	233.218	-0.233	50	10	BBGE	
C[C@@H](CN1C(=O)C[C@]12CCOC2)C(=O)NN	1976025058	VENRROJAMWYQDY-XVKPBYJWSA-N	227.264	-0.996	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1noc(C)n1	1976749803	RAVLINPOYAOTBM-ZETCQYMHSA-N	227.268	-0.422	50	10	BBGE	
NC(=O)[C@@H]1CN(CC=CCCl)C[C@@H]1C(N)=O	1978818565	PQRDKUISHABDPT-OCAPTIKFSA-N	245.710	-0.700	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@H](C)C(=O)NN)C2	1978982167	INJXVSVBDLCGGH-IQJOONFLSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnsn1	1979643252	JYYSDYBFDRLCDV-NKWVEPMBSA-N	243.336	-0.016	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1nc(B(O)O)cs1	1981426641	PHMDBAMNEVZDMS-NKWVEPMBSA-N	243.093	-0.373	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC(O)CC1	1984130759	XYNXDBQHOUEYQA-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
COC[C@@H](Oc1cn(C)nc1C)C(=O)NN	1986050401	WIFHYQJOXQUEBF-MRVPVSSYSA-N	228.252	-0.888	50	10	BBGE	
C[C@H](CN1CC2(CC(CO)C2)C1)C(=O)NN	1987144310	CWFXIUOIGYDQLM-MRVPVSSYSA-N	227.308	-0.683	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NCC=CB(O)O	1991325984	BPCGRADGMXLJJD-VIFPVBQESA-N	229.085	-0.268	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C)C[C@@H]1C)B(O)O	1992147131	ZJJDHHMNGRZQQB-ONGXEEELSA-N	226.129	-0.173	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@](F)(CO)C1	1995937694	NKANAMPPRXVXRU-QXEWZRGKSA-N	247.314	-0.203	50	10	BBGE	
CC[C@@H]1C[C@H](C)CN1c1ncc(B(O)O)cn1	2004912924	ZNMYNWDFHUQOKU-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
C[C@]1(F)CCCN(c2ncc(B(O)O)cn2)C1	2004919487	ZLJHWSWOLCNUIW-JTQLQIEISA-N	239.059	-0.515	50	10	BBGE	
COC[C@H](C)CN(C)c1ccncc1B(O)O	2004936277	XKQXAPMJLFZJKK-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](C2CC2)C1	2004940419	WXQOOGJEQCKZOQ-JTQLQIEISA-N	232.092	-0.002	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2CCC2)n1	2005015112	WDNGODZYKLELHT-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1nc(N2CC3(F)CC2C3)ccc1B(O)O	2005017944	MJPOLHSAYSNCBK-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3OCC[C@@H]32)CC1	2007502875	GYDXBOULDHKUAV-BBBLOLIVSA-N	236.271	-0.102	50	10	BBGE	
COc1cc(NC(=O)C(=O)NN)c(F)cc1F	2007612695	ADZJISRAHKMZRL-UHFFFAOYSA-N	245.185	-0.098	50	10	BBGE	
Cc1nc(C(N)=O)ccc1OCCC(=O)NN	2007701453	VVCVTJZWOAYQMH-UHFFFAOYSA-N	238.247	-0.752	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2(C)CC2)CC1	2009277296	AZSZZCCPRCTKGB-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
COc1ncccc1CN1CC(=O)OC(=O)C1	2011967897	XGAWUUQZOLBPNG-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2C[C@H]2C1	2014928889	LXRUNKUVZHPZRY-SFYZADRCSA-N	236.055	-0.253	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)C1(C)C	2019208296	GBKRMLQCLOYMAF-SECBINFHSA-N	243.307	-0.347	50	10	BBGE	
COC[C@](C)(CN(C)[C@H](C)CC(=O)NN)OC	2021121172	KHPOEDZEXAPOQE-KOLCDFICSA-N	247.339	-0.262	50	10	BBGE	
Cn1cc([C@@H](N)C(=O)N2CC=C(C#N)CC2)nn1	2047878534	UAZZLNCXTCFMFW-SNVBAGLBSA-N	246.274	-0.503	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@H](C)[C@H]2C)c1B(O)O	2052553629	JRMONIXFMZMTMQ-OYNCUSHFSA-N	249.123	-0.054	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2CC23CC3)c1B(O)O	2052553827	MJUAAHAWCQYFCG-SECBINFHSA-N	247.107	-0.299	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211828123	ULNDMOZLXXVTDN-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
OCC1(Nc2ccc(B(O)O)cn2)CCC1	2212613550	WOODLOLCVGXUBH-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213881512	GCXSWIKOEOOEJV-LPEHRKFASA-N	247.314	-0.204	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215773752	BYBNXZGMFCWZFJ-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](Nc1ncccc1B(O)O)C1CC1	2217173717	TVMJPGMHJFSZHF-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC=CCO2)c1	2217175589	KVDUCYQBLBUBNP-JTQLQIEISA-N	234.064	-0.482	50	10	BBGE	
COC[C@H](C)CN(C)c1cc(B(O)O)ccn1	2217176536	XMCCCQSYMWUWBT-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
CN1CCC[C@H]1COc1cc(B(O)O)ccn1	2217186675	NJZZBIHXSULIRH-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
C[C@H]1NCCC[C@H]1Nc1cc(B(O)O)ccn1	2217199580	NMTSMTQLVFXWOO-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
CCC1CC(CN=c2ncc(B(O)O)c[nH]2)C1	2217202519	KLRNREQCXOMKMZ-UHFFFAOYSA-N	235.096	-0.574	50	10	BBGE	
OC[C@@H]1C=CCCN1Cc1cccc(B(O)O)c1	2220073302	SPIWKKKUKDHLJV-ZDUSSCGKSA-N	247.103	-0.511	50	10	BBGE	
OC[C@H]1[C@H]2CC[C@@H](C2)N1c1ncccc1B(O)O	2223642074	FSXUGCRPRHVKDX-QXEWZRGKSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@]23CCOC3)cc1B(O)O	2223651811	FGMSYEKBMGEZMU-JQWIXIFHSA-N	248.091	-0.339	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3CNC[C@@H]3C2)nc1	2223653789	KQGXVRUAUNYUME-JZYVYDRUSA-N	248.091	-0.862	50	10	BBGE	
CC[C@H]1CN(c2ncccc2B(O)O)CC[C@H]1N	2223666201	KWUFENDRKQTNRK-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1c1ncccc1B(O)O	2223667911	VWAIVBQMXVXCJN-JTQLQIEISA-N	247.107	-0.932	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)c1ccc(B(O)O)cn1	2223669545	LHHKEPROSOZJPT-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
NC[C@@H](Nc1ccc(B(O)O)cn1)C1CCCC1	2223669687	NCIOPNMVZVJEOK-LLVKDONJSA-N	249.123	-0.309	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cn2)CCNCC1	2223670342	WPJZDLOPTPXEJI-UHFFFAOYSA-N	249.123	-0.437	50	10	BBGE	
Cc1ncncc1CNc1ncccc1B(O)O	2223676003	ZYIMDYZASQWQKU-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CCOCCNS(=O)(=O)N1CC(Cl)C1	2241338589	OQGGRPQYFFGFBJ-UHFFFAOYSA-N	242.728	-0.220	50	10	BBGE	
CC1(CCNC(=O)[C@H]2C[C@@H]2B(O)O)OCCO1	2241495165	HFARGYYLNDQQJC-YUMQZZPRSA-N	243.068	-0.881	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1C1CC1	2243356909	OMUZATZYTJGMLQ-JTQLQIEISA-N	221.065	-0.207	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1csc(B(O)O)c1	2243362652	UNNPCJMURZKOKB-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
NCCCCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243390758	AUHNPUDVBPTTMX-IUCAKERBSA-N	228.101	-0.515	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ncsc1B(O)O	2243398532	RBEVHQNWAWPTBN-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
O=C(NCc1cn[nH]c1)C1(B(O)O)CCC1	2243409728	NOWLGFDZYJFUJP-UHFFFAOYSA-N	223.041	-0.577	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)C1(B(O)O)CC1	2243410824	IJOLKJZAMSGRMJ-QMMMGPOBSA-N	229.085	-0.626	50	10	BBGE	
COCCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243426029	DDPXJMZPJOVMCN-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C[C@H](C(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2243769817	XOOMBQUKVXPYBS-GRQBKTHUSA-N	229.041	-0.829	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1nscc1B(O)O	2244144490	JIHLJHIGYFWNPJ-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)co1	2244212255	NKEAVTYYLHNVMX-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
CCCN(C[C@@H](C)O)C(=O)C1(B(O)O)CC1	2244902294	QINLUSNGEOBJDN-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(F)CC1C2	2247734651	VBYZUDJMXQRVPG-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1CC=CC1	2247736513	WFPIAGLOJPQOEC-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247787543	QJQUAUHNOFBPJR-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247788333	DDTYIWXLNXTUQE-ZETCQYMHSA-N	235.048	-0.733	50	10	BBGE	
CC1(C)CNC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797447	JRWRFKIBMYYVEG-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)[C@H]1C[C@H](B(O)O)C1	2247797978	PDHRFAACXIWSIQ-GUBZILKMSA-N	241.096	-0.075	50	10	BBGE	
CN(C)CCCCNC(=O)C1CC(B(O)O)C1	2247798300	SDOYFBRLZVQKSG-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247803434	BBAJJYOCYYBAAL-XFWSIPNHSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@]12CC[C@H]1CNC2)[C@H]1C[C@H](B(O)O)C1	2247809684	QMCLWQTXRBAPKN-FTYOSLGDSA-N	238.096	-0.892	50	10	BBGE	
O=C(C#CB(O)O)NCc1ncoc1C1CC1	2247849172	WLIPYKQKNYYRKM-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
CC(C)[C@H](N)CCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247859720	OKYICBVIBLFQJT-LPEHRKFASA-N	242.128	-0.319	50	10	BBGE	
C#CCN(CC#C)C(=O)c1sccc1B(O)O	2247866773	RWFBRRTWPMTUHB-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ncccc1B(O)O	2247868127	CSPBXWHEVYDTMB-QMMMGPOBSA-N	236.080	-0.368	50	10	BBGE	
NC1CCC(NC(=O)C2(B(O)O)CCC2)CC1	2247879209	RKDDTZRWCXNALX-UHFFFAOYSA-N	240.112	-0.230	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)[C@H]1C[C@H](B(O)O)C1	2247887302	MULJOHWGSKBGNY-LJGSYFOKSA-N	238.027	-0.166	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@@H]1CNC2	2247887335	MWWHOGOFNUGRKM-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
O=C(NCc1ccncc1F)[C@H]1C[C@H]1B(O)O	2247899415	NFFSBJCLHWOBCC-JGVFFNPUSA-N	238.027	-0.300	50	10	BBGE	
C#CCCC(=O)Nc1cccc(B(O)O)c1F	2248416516	TZRQHVJLCHVJTF-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)CC(=O)O	2248587782	UOORAOFLYYVNNX-RNFRBKRXSA-N	243.068	-0.439	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1cc(B(O)O)co1	2249406603	FXDFZUXVOOUSHO-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
O=C(NCC1CC(F)C1)c1cocc1B(O)O	2249415750	IJDQAXJXHMTFHF-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=CCCC1	2249430730	PIBZVZJBMHLTKM-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC2(CCC2)C1	2255481328	GEWGPJXJGHKYEJ-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@@H](C)[C@@H]2C)n1	2255491370	WDLMGPXTUONBFO-YUMQZZPRSA-N	248.091	-0.546	50	10	BBGE	
C=CCN(CC=C)C(=O)c1cc(B(O)O)cn1C	2255509232	QEHRETVSMFNJPD-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
Cc1cccc(C(=O)Nc2ncc[nH]2)c1B(O)O	2255509462	MBGZELZXCFGRNR-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1C	2255513445	RFXACISRGJMWDW-SNVBAGLBSA-N	243.071	-0.477	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cncc(B(O)O)c1	2255522542	LEEXNGIMYCYSAB-UHFFFAOYSA-N	244.059	-0.977	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@H]2CC[C@@H]21	2255732928	CPAJVAROQVHSAT-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ncc(B(O)O)cc1C	2257487815	QTZSKAYFGFJDEK-JTQLQIEISA-N	246.075	-0.789	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1cocc1B(O)O	2258124969	KKXOCRRUYSRXJU-DKCNOQQISA-N	247.059	-0.346	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@]2(OC)C1	2298208593	KYXNJKOJYKBEKV-QXEWZRGKSA-N	243.307	-0.898	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374769	LVMMLVPGMXAOBN-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@]2(CO)CC[C@H]1C2	2299779299	VENNUCMIBVBSCN-GXSJLCMTSA-N	241.291	-1.000	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H]1CO	2301340164	AUTMWMYFUHGNKB-KWQFWETISA-N	232.048	-0.969	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCCC(=O)NN)CC(=O)N1	2302024524	VPLGOXQRWFQHGT-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1	2303107317	XEEDNDRPLZRDAF-XWLWVQCSSA-N	241.096	-0.661	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)N2CC[C@H](B(O)O)C2)C1	2303165344	IGGVWZINHZCCFI-XHNCKOQMSA-N	242.084	-0.578	50	10	BBGE	
C[C@H](N)[C@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445959	DOBDOQYKZPXEIF-WCBMZHEXSA-N	241.291	-0.473	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@@H](F)C2)ncc1B(O)O	2307279254	LHUNROTWZZSDAK-OCAPTIKFSA-N	240.043	-0.408	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3cccc(B(O)O)n3)C[C@H]12	2308840183	XXNJXPYJWJTDCJ-SXMVTHIZSA-N	246.075	-0.254	50	10	BBGE	
CC(C)=C(Cn1nc2ccccn2c1=O)B(O)O	2317827203	JXUYQUGDYCJLGI-UHFFFAOYSA-N	247.063	-0.156	50	10	BBGE	
C[C@H](CN(C)CCCN(C)C)C(=O)NN	82544109	KRUKRANGERLLJA-SECBINFHSA-N	216.329	-0.504	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2CCC[C@@H]21	83702216	QIXGVDZZZKKXSQ-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOCC1	86313283	JWGXLNVVZCKQPO-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCl	115890182	VXLPYFZWBMGNSX-RFZPGFLSSA-N	207.613	-0.728	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@H](C)N1C	127926294	GHCWEUOPZUPKIP-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
CCN(CCOC)Cc1ccccc1B(O)O	199008221	VSJQVZBHULJRAZ-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
O=c1ccn(Cc2ccc(B(O)O)cc2F)cc1	203148418	AXTRMOMOKAKEFP-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCOC(=O)NN/C(N)=C/C(=O)OC	210528301	UUDHSUYUOLPFQF-SNAWJCMRSA-N	203.198	-0.790	50	10	BBGE	
CCC[C@H](C(=O)NN)n1ccc(C(N)=O)n1	211914027	FKXCJWVOZHNHOX-SSDOTTSWSA-N	225.252	-0.687	50	10	BBGE	
NC(=O)C1CN(c2nnc(CCl)o2)C1	306831153	MDUZWZFOELBGQB-UHFFFAOYSA-N	216.628	-0.270	50	10	BBGE	
NNc1cc(B(O)O)ccc1Br	306900808	MPDWAVHVRSDTTF-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
COCC[C@H](COC)N1CC(=O)OC(=O)C1	309275946	DUOCIPIUQPANFZ-MRVPVSSYSA-N	231.248	-0.577	50	10	BBGE	
COC[C@@H]1CCC[N@@+]12Cc1ccccc1[B-]2(O)O	310639410	SIVRDQIYIGTHMD-SWLSCSKDSA-N	249.119	-0.044	50	10	BBGE	
Nc1c([N+](=O)[O-])cc(B(O)O)cc1C(F)(F)F	382636046	CQUAORXLIXAOIQ-UHFFFAOYSA-N	249.941	-0.124	50	10	BBGE	
O=C1CN([C@H]2CCN3CCC[C@H]2C3)CC(=O)O1	382938872	IBVTXXQRPXJRQW-UWVGGRQHSA-N	238.287	-0.144	50	10	BBGE	
CC(=O)NC1CN([C@@H](C(=O)NN)C(C)(C)C)C1	388179342	MHPNIMWINFMVMS-VIFPVBQESA-N	242.323	-0.789	50	10	BBGE	
COC(=O)CCc1cc(OC)cc(B(O)O)c1	396031734	LHJKNKGRDOSVLM-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
N#CCc1nc2cc(B(O)O)ccc2o1	396103269	KDMMTENJCRNRET-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
O=Cc1ccc2scc(B(O)O)c2c1CO	396334167	IOZIOBYUTIMMPX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1c(O)sc2cccc(B(O)O)c12	396383489	NXJISKAYNFRDFZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(CCF)CC1	402795840	VAIJQQAAELJAOR-UWVGGRQHSA-N	246.330	-0.412	50	10	BBGE	
Cc1ccc(NC(=O)c2cn[nH]c2)cc1B(O)O	404987228	PUGIXGFPKSGYHG-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CCOC(=O)NCc1cc(B(O)O)ccc1F	405148047	ORHNDQWRRIACKI-UHFFFAOYSA-N	241.027	-0.248	50	10	BBGE	
CC(C)C[C@@H](NC(=O)c1cnccn1)B(O)O	504466219	SRHWLFIUJSPOAC-SECBINFHSA-N	237.068	-0.367	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1CCBr	575471903	UOBLDJPVFHJPEZ-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
CN1N=C=C(/C=N/NC(N)=O)[C-]1Br	642825820	OSGZXJQFJQNOBN-XNWCZRBMSA-N	245.060	-0.019	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H](CO)C(C)(C)C	689786846	MRSWRCGSLUFLFS-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
N#CCCNC(=O)CN1CCC(O)(C#N)CC1	692110718	CEGOVLQHNBQLLI-UHFFFAOYSA-N	236.275	-0.633	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CCCS(=O)(=O)CC1	694209944	KOLMYFRYCLLIKJ-SSDOTTSWSA-N	235.309	-0.531	50	10	BBGE	
COc1ccc(C)cc1Cn1ccc(B(O)O)n1	694311759	ZSCOZHHYNPMZQZ-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOCC1	695072138	WTGCGLGIQNMDBY-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
COCC[C@@H](CCl)NCc1nnnn1C	697710468	FJCXWMWWMIHMCS-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
CN(N)C(=O)c1cnc2ccccn2c1=O	704634920	IQJAPFLFLVURBK-UHFFFAOYSA-N	218.216	-0.360	50	10	BBGE	
NC(=O)NNC(=O)c1cc(C2CC2)on1	705981016	RKZDQCUSZFBVHW-UHFFFAOYSA-N	210.193	-0.135	50	10	BBGE	
CN1C[C@H]2CN(CC(C)(C)C(=O)NN)C[C@H]2C1	706305225	ZTJSCBJXBCHOEV-AOOOYVTPSA-N	240.351	-0.504	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C(F)F)C1	706487217	KUODIQYDMBNWEV-YFKPBYRVSA-N	207.224	-0.048	50	10	BBGE	
CN(Cc1nnnn1C)C[C@@H](O)CCl	707665198	JXZRYBQJNSLXGG-LURJTMIESA-N	219.676	-0.758	50	10	BBGE	
C[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@@H]1CO	708129560	NNWMXUYZUBRVLO-BBBLOLIVSA-N	243.351	-0.049	50	10	BBGE	
C[C@@H](C(N)=O)N(C)Cc1occc1C(=O)NN	711158117	PWPVPXBNXYUYBU-LURJTMIESA-N	240.263	-0.811	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2C[C@@H]2C1=O	715701202	KSZXHTNVXJICMC-YUMQZZPRSA-N	235.243	-0.139	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)NN	717080203	FSDKDVLGXFKECY-NGJRWZKOSA-N	211.265	-0.615	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)CCCCl	719722533	MITMKWLOGFNIRV-UHFFFAOYSA-N	242.728	-0.248	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@H](F)C1	725646873	YDFIUJUQLQMGLA-PRJMDXOYSA-N	211.664	-0.009	50	10	BBGE	
CNC(=O)NC[C]1CC(B(O)O)=CS1	725658799	XQIMTCNNVKIINS-UHFFFAOYSA-N	215.063	-0.520	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1nc[nH]n1	746163821	UHLVQDYLQOCKEL-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)CO)C1CCCCC1	857170406	OTEURSQSAUEYKC-JTQLQIEISA-N	244.291	-0.279	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1n[nH]cc1F	900417978	SSTIMLATLLWZRN-UHFFFAOYSA-N	229.215	-0.099	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(C#N)nc1	1116076535	FFJBURIZTZOCOE-UHFFFAOYSA-N	219.204	-0.473	50	10	BBGE	
CS(C)(=O)=NC(=O)c1cccc(B(O)O)c1	1151416515	UBYQOKUGTIGFRT-UHFFFAOYSA-N	241.077	-0.766	50	10	BBGE	
CCN(CCOC)Cc1cscc1B(O)O	1231946220	OWEJEOBPWZFONR-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CN1CC[C@H](NS(=O)(=O)CCl)CC1=O	1260935865	ALTCJEBIHRERIB-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)NN)CS1(=O)=O	1327500699	NRACFFJKNSZDRV-NTSWFWBYSA-N	221.282	-0.875	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1CCc2nc[nH]c2C1	1328638254	WUNWKGFJKLMYJF-ZCFIWIBFSA-N	247.262	-0.224	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1ccc(C#N)cc1	1442586082	IOKGIVGKWKAPTD-UHFFFAOYSA-N	245.238	-0.132	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1ncccn1	1460986494	HXPVSQRSNBMIKE-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CCO[C@@H](CC)C(=O)NNC(=O)c1ncon1	1627099940	PMADRXXUJSABRK-LURJTMIESA-N	242.235	-0.354	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1	1632708390	HUMNWRVGMWXAFA-PHDIDXHHSA-N	219.204	-0.670	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)[C@H](O)C1	1882906366	GYSVYTRSQPTWRO-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
CC(=O)NS(=O)(=O)CCOCCCl	1883180613	XCDJCMQUDLPMRT-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
NC[C@@H]1CNCCN1C[C@H]1C[C@@H]1Cl	1883567367	OSVIYAMMTUKEHB-HLTSFMKQSA-N	203.717	-0.154	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1883648389	ZNDPSIYRKRJZPL-FSSWKIGTSA-N	204.613	-0.702	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC(CCl)C1	1885227164	ODWBCFKSZCBIFV-UHFFFAOYSA-N	236.684	-0.336	50	10	BBGE	
C[C@@H](CCCl)C(=O)NCCS(N)(=O)=O	1885938006	KUCPCZIFYBNAKH-LURJTMIESA-N	242.728	-0.344	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)N(C)C	1888553781	CDROOQMEUVWFNF-UHFFFAOYSA-N	209.271	-0.546	50	10	BBGE	
CNCCCS[C@H](COC)C(=O)NN	1891089769	LMHCTYVYXMACTO-SSDOTTSWSA-N	221.326	-0.666	50	10	BBGE	
CCc1noc(CN2CC[C@@H](B(O)O)C2)n1	1902515676	JWHCYIASNLMZLJ-SSDOTTSWSA-N	225.057	-0.319	50	10	BBGE	
Cn1ccnc1C(=O)N1CC[C@H](B(O)O)C1	1902523094	WXEJHHQETQJXIS-ZETCQYMHSA-N	223.041	-0.891	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@@H]1NC(=O)CCl	1906955765	LYMWTZDOZWIACE-WDSKDSINSA-N	241.696	-0.847	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	1910298648	MCCQSNRHCVGIHD-RXKWGBCNSA-N	237.303	-0.131	50	10	BBGE	
COc1nc(C)cc(=O)n1C[C@@H](C)C(=O)NN	1912228048	RREMXNGHGZEACY-ZCFIWIBFSA-N	240.263	-0.814	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2[C@@H](C1=O)C2(C)C)C(=O)NN	1912236241	GJWZKZNAKNEEGJ-QYNIQEEDSA-N	239.275	-0.747	50	10	BBGE	
O=C(CC[C@@H]1CCOC1)NNCCO	1929834298	ZEFHHWFKYQHABS-MRVPVSSYSA-N	202.254	-0.584	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCOCC1	1929838083	IRCSIRVCZROJHL-QMMMGPOBSA-N	202.254	-0.584	50	10	BBGE	
C#CCOCCONS(=O)(=O)CCCl	1930870173	ORBDZMILXRSAGJ-UHFFFAOYSA-N	241.696	-0.274	50	10	BBGE	
O=S(=O)(CCl)N1CC(N2CCC2)C1	1932056888	ATCOKERUTNLOBS-UHFFFAOYSA-N	224.713	-0.098	50	10	BBGE	
NNC(=O)CCN1CC2(CC2)C[C@@H]1CO	1934334268	TVERJIUPYOFVGC-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1936081698	APGKXBZMJODNGG-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936090007	XUXNOBUVKRFNPX-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3OCCC[C@H]32)CC(=O)O1	1938612447	ZJHSISRXPWWRFI-YIZRAAEISA-N	225.244	-0.061	50	10	BBGE	
CC(C)CN(CCO)[C@@H](C)[C@@H](C)C(=O)NN	1939257531	KMWFVLASZZZTNC-ZJUUUORDSA-N	231.340	-0.049	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1COCCO1	1940287248	KTZZNHVYIUDEFG-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H]2CCC[C@H]21	1940887342	KPWAFGZCRGOCDL-HTQZYQBOSA-N	249.261	-0.135	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081889	DIUMWNCGJVTORR-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)COCCN1C(=O)C2CCC1CC2	1941773445	YIQCRKSKUDYCSH-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
COC[C@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	1946461173	WBJUDQUBNNXAOQ-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1O[C@H](COC)C(=O)NN	1947168108	GFBVDYDGHDOBRC-KXUCPTDWSA-N	246.307	-0.177	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1cc(C(=O)NN)co1	1947986232	RKPAOVGOLCHVGD-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
CC(C)[C@@H](Oc1cccn(C)c1=O)C(=O)NN	1950721323	FBELNCQYVWELBH-SECBINFHSA-N	239.275	-0.221	50	10	BBGE	
COC1(CO)CN([C@H](CC(C)C)C(=O)NN)C1	1951073465	OAZKTBCMDWOXRR-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1	1951321791	HEZPLWHTGKLVGF-HTQZYQBOSA-N	215.058	-0.656	50	10	BBGE	
NC(=O)NC1CN(C(=O)CBr)C1	1953594528	XDNLRTAABWTENN-UHFFFAOYSA-N	236.069	-0.740	50	10	BBGE	
CCN1CCN(C[C@H](O)CCl)C(=O)C1	1956857753	HGWIVDAMSYLFAL-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]3C2)n1	1956966684	YVMXCKAPLPHSKD-OLQVQODUSA-N	210.067	-0.721	50	10	BBGE	
Cn1nnc(CN2CC(F)(CCl)C2)n1	1956994237	WQZXQEYMOBGJHM-UHFFFAOYSA-N	219.651	-0.027	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1958632560	CLJOGKBLEHUARQ-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CCC[C@@H]32)n1	1961718820	ULJZHAVCAWSFJY-BQBZGAKWSA-N	224.094	-0.188	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(F)(CO)C1	1961737282	LYCBKBOYNZXKRN-RNFRBKRXSA-N	219.260	-0.983	50	10	BBGE	
NNC(=O)NCC(=O)Nc1ccccc1	1962629222	HWEMZWABNGEHLA-UHFFFAOYSA-N	208.221	-0.202	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)CCCl)C2	1974908068	KJIZZYXPKGWDNC-UHFFFAOYSA-N	231.683	-0.149	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(F)(F)C[C@@H]1CO	1976196681	DSQOIRLYVDESKS-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CN1CCC=CCS1(=O)=O)C(=O)NN	1979179955	VQFSPURJIASJND-MRVPVSSYSA-N	247.320	-0.796	50	10	BBGE	
C[C@H](c1cccnc1)N(C)C(=O)C(=O)NN	1980747323	HMFITMXJKMYMRW-SSDOTTSWSA-N	222.248	-0.409	50	10	BBGE	
COCCN(C(=O)C(=O)NN)C1CCCC1	1980757396	VFSHPDWVFXXCHR-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1	1981083755	WGDMFWHBPWBQCN-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
CC(C)C1CN(c2ccc(B(O)O)cn2)C1	1981409226	KLGDJOPUTDLYEO-UHFFFAOYSA-N	220.081	-0.146	50	10	BBGE	
Cc1cnc(N2CC(C)(F)C2)c(B(O)O)c1	1981472044	NBAJBVJCKYUVLW-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1CC(N)=O	1986123499	XMLGQYNTSCZXDR-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
C=C(CN1CCO[C@H]2COCC[C@@H]21)B(O)O	1992160530	XSFZSQKZRBHARU-UWVGGRQHSA-N	227.069	-0.956	50	10	BBGE	
COC(C)(C)C(=O)Nc1ccc(B(O)O)cn1	1996646506	DNJNFBOGIHFUSB-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996734736	SKOHYVHNYADLLJ-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
COC[C@@H]1CCOCCN1[C@H](C)CC(=O)NN	1998227559	LKUXIISNLUCHGZ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCN([C@@H]1CCNC1=O)[C@H](C)[C@@H](C)C(=O)NN	2004314546	RBSFRWYQRSWUFG-IWSPIJDZSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1	2004395055	XRKWSGICKIHDJG-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H](C(F)F)C1	2004917095	UNJSYPLUAQRBAL-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cnc(C)c2C)n1	2004989858	BQYDEVVBUFLKLA-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1cnc(N2CCOC[C@H]2C)c(B(O)O)c1	2005017401	DTDYDIZFQNIZFI-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H]1CC(N)=O	2011912125	FOLWJMWATIBUAX-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901167	YXBCBFUKJFJGNS-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
Cc1nn(CC2[C@@H]3COC[C@@H]23)c(C)c1B(O)O	2015133560	QVJJCYAJTOSKOW-UWVGGRQHSA-N	236.080	-0.928	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C[C@@H](C)F)CC1	2015814861	JCEDOMOLGBXJRQ-NXEZZACHSA-N	246.330	-0.270	50	10	BBGE	
Cc1nn(C)cc1COc1cccc(B(O)O)c1	2026960624	VMNOQYRZVGWVOZ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=C(CN1CCCC1)Nc1ccccc1B(O)O	2031509254	IMNGOHYTHAHYKQ-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2ccc(=O)cc2)n1	2050242568	OKMKVTZLYPHOLY-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CCN(C)[C@@H]1CCN(c2ccncc2B(O)O)C1	2052470576	GBGXBYAKCTUSMM-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCCC12CC2	2052474168	YHVXVENNHZNMIH-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)ncc1B(O)O	2053734333	FBLDPMDOUNTRDC-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
N#Cc1cc(B(O)O)c(Cl)cc1C=O	2060091965	MXWXKJRRYZLATB-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCc1ccc(B(O)O)c(C#N)c1C=O	2060237123	DPCNLHGFWWNBLW-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
COc1cc(B(O)O)cc([N+](=O)[O-])c1C	2060379384	YQNGTXHQIXFSCT-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
O=C(NCCc1ccccc1B(O)O)NC1CC1	2067540153	LONZRNMHSDAQME-UHFFFAOYSA-N	248.091	-0.630	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1cscc1B(O)O	2211140905	QKGHCTJAPDUBJE-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CCC[C@H]21	2211141894	YVGUMXVDOFXSDQ-GMSGAONNSA-N	238.121	-0.193	50	10	BBGE	
CCCN(CCO)C[C@H]1CC[C@H]1C(=O)NN	2211828459	ZZQYGYJUXIBEMB-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
Cn1cc(Nc2ccc(B(O)O)cn2)cn1	2212604567	QNMWNHBQFKISSG-UHFFFAOYSA-N	218.025	-0.762	50	10	BBGE	
OB(O)c1ccnc(NCc2ccns2)c1	2212606252	QWPBZICCEBZNMK-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C=C[C@@H]1CCN(c2ncccc2B(O)O)C1	2212610528	KKIBRWURWJTFFC-SECBINFHSA-N	218.065	-0.226	50	10	BBGE	
OB(O)c1cnc(NC2CC(F)(F)C2)nc1	2212612012	GXEMIVIPOXMPNH-UHFFFAOYSA-N	228.995	-0.634	50	10	BBGE	
COCC1(Nc2ccc(B(O)O)cn2)CC1	2212614464	DPUBSXPVMMTWNV-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
N[C@@H](CNc1ncccc1B(O)O)C1CCC1	2217171304	AGQBWAPVXNVCTA-JTQLQIEISA-N	235.096	-0.699	50	10	BBGE	
N[C@@H]1CC[C@H](CNc2cc(B(O)O)ccn2)C1	2217179036	FLEIFLZCIFZGIP-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
C#C[C@H](Nc1nccc(B(O)O)c1F)C1CC1	2217180744	VPJWZHMHRKYMNT-VIFPVBQESA-N	234.039	-0.276	50	10	BBGE	
CC(C)CNCCOc1cc(B(O)O)ccn1	2217186168	GWGXLBYZHFKHOE-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
NNC(=O)C1(Cn2cncc(F)c2=O)CCC1	2217268270	VFQGGPSPKXOVGZ-UHFFFAOYSA-N	240.238	-0.457	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3)nc1	2223627884	BSOZVGWFEVGLEU-URLYPYJESA-N	248.091	-0.577	50	10	BBGE	
CNC[C@H]1CCCCN1c1cc(B(O)O)ccn1	2223634331	JGXIEHUAJLGFBK-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCCNC2)c1	2223670406	XLDUKZIQLZRVBY-JTQLQIEISA-N	249.123	-0.437	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2223672099	DAGAFDRNDJSPPM-LSKIRQOJSA-N	246.119	-0.113	50	10	BBGE	
COCCN=C(NN)N[C@H]1C[C@H](Cl)C1	2241657166	IUORRIQBEUQYEF-LJGSYFOKSA-N	220.704	-0.189	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)C1	2243349830	RAZJZPBKNPCSGG-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CO1	2243364143	RVFVCNGSFRNSBR-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C=CCONC(=O)c1sc(C)cc1B(O)O	2243381669	IFQOQKWIOIMAOZ-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
CP1(=O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243397200	XDJSGADVKDFWTM-YUMQZZPRSA-N	245.024	-0.316	50	10	BBGE	
CC(C)NC(=O)c1ncc(B(O)O)cc1Cl	2243399306	YPPOJNALZZEETR-UHFFFAOYSA-N	242.471	-0.447	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccsc1B(O)O	2243408623	QRZOJUCODJRMRF-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
O=C(NC[C@H](O)C1CC1)C1(B(O)O)CCC1	2243411124	OGJLZLOIIDHYSU-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CC1)[S@](C)=O	2243411379	SDXVZVMAHNTECT-QZTNRIJFSA-N	247.125	-0.733	50	10	BBGE	
C=C(CS(=O)(=O)N1[C@@H](C)CC[C@@H]1C)B(O)O	2243411987	DNHMYHLYEVYVMX-IUCAKERBSA-N	247.125	-0.243	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N[C@@H]1C[C@@H]1C	2243414604	DVEWBJSYLVWARB-UJURSFKZSA-N	240.093	-0.730	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1CC(O)C1	2243418012	YXVDMLHGXAEWQC-UHFFFAOYSA-N	227.069	-0.779	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=C[C@H]1CF)B(O)O	2243433983	SMTMCALMCCCZJH-QMMMGPOBSA-N	249.072	-0.906	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NCCC#CB(O)O)S1	2244550927	XOWWLPGCTVWOPR-IUCAKERBSA-N	241.121	-0.208	50	10	BBGE	
COC[C@@H](S[C@H]1CNC(C)(C)C1)C(=O)NN	2245396225	ROAKSIXCMJLXQY-HTQZYQBOSA-N	247.364	-0.135	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3C[C@H]32)n1	2247233455	PTQKDPNAUVOZFQ-VXNVDRBHSA-N	234.064	-0.631	50	10	BBGE	
C[C@H](CCO)CCNC(=O)C1(B(O)O)CCC1	2247732131	CFEDCKFVQQGQON-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
CC[C@]1(C)OCCC[C@H]1NC(=O)C#CB(O)O	2247740453	KWBDMANGSVMDDJ-KOLCDFICSA-N	239.080	-0.534	50	10	BBGE	
COC[C@]1(NC(=O)C#CB(O)O)CC=CCC1	2247741845	GPWOHBMJRWLDET-NSHDSACASA-N	237.064	-0.757	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1(B(O)O)CCC1	2247751393	XDFGYFVSBWUPLS-VIFPVBQESA-N	242.128	-0.031	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)C1N	2247754430	DBOAISPFHWDPEP-YUMQZZPRSA-N	240.112	-0.565	50	10	BBGE	
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1B(O)O	2247797246	HOZLHXHCVIABDL-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CC(C)CC1(O)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247799105	ZUOFARAJIGHXGD-BDAKNGLRSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(C)[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247804602	HWMDVMLBYSWGBT-VHSKPIJISA-N	243.112	-0.237	50	10	BBGE	
O=C(NCCCN1CCCC1)[C@H]1C[C@@H]1B(O)O	2247804938	IUMKFYVSLANMDB-UWVGGRQHSA-N	240.112	-0.549	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247806512	FOHCYPBMCFBXNO-RKDXNWHRSA-N	235.052	-0.702	50	10	BBGE	
NCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCCC1	2247809273	OMIMHJXGRZELDD-ZJUUUORDSA-N	240.112	-0.421	50	10	BBGE	
CC(C)[C@H](CCNC(=O)C#CB(O)O)N(C)C	2247851566	GQWKANUMDZMELR-JTQLQIEISA-N	240.112	-0.906	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C1CCC1	2247854363	BLAMKEXSUCDKIC-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ncccc1B(O)O	2247868749	HXGQWUSZPMAIIK-QMMMGPOBSA-N	234.064	-0.710	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]2C)c1	2247875562	YHZWKZUOEAQUDD-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
CCC[C@H](CCO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247894779	KUOTUTPWHYCXPJ-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
O=C(Nc1ccccn1)c1sncc1B(O)O	2247897253	PXBOYNACYYIHGF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC(OC)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898731	HJCKKDYXNBUHSF-FXQIFTODSA-N	245.084	-0.637	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247899540	NYSZYYFYYYNAGK-LPEHRKFASA-N	243.112	-0.143	50	10	BBGE	
O=C(NCC12COCC(C1)C2)[C@@H]1C[C@H]1B(O)O	2247899828	QNINOOUEMMISFS-VCZAYRLQSA-N	239.080	-0.608	50	10	BBGE	
C=CCCC(=O)Nc1ncc(B(O)O)c(C)n1	2248395828	RCSUMUMHSSBVPU-UHFFFAOYSA-N	235.052	-0.630	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248574013	MUDRNMVBGARSEV-PJKMHFRUSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)CCCONC(=O)C1CC(B(O)O)C1	2248587604	RTKRYJYCNZNKOS-UHFFFAOYSA-N	245.040	-0.848	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2OCC[C@]2(C(=O)O)C1	2253342494	RSRHHQHMNRWMHC-XCBNKYQSSA-N	243.263	-0.652	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@]12C[C@H](CO1)C2	2254017922	GATYGVLOABWCJF-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
CCn1cc(C(=O)NC2CC=CC2)nc1B(O)O	2255474069	PGMUTIULTFVAKT-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2255491469	XWRWMQVZRIIUGA-JTQLQIEISA-N	249.075	-0.004	50	10	BBGE	
O=C(N[C@H]1C=CCCCC1)c1cc(B(O)O)n[nH]1	2255555099	WIDGRLBBEZRFQA-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@]3(C)C2)oc1B(O)O	2255573537	OKFIKMZLRKIDQH-PRHODGIISA-N	249.075	-0.250	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ncncc1B(O)O	2255735823	BLDFICAUANVVFD-LDYMZIIASA-N	249.079	-0.925	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2255738444	SSCYFUROKWQKKU-GHCJXIJMSA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)ccc1O	2256019107	WGGKVTVSCMAXCW-SECBINFHSA-N	247.059	-0.480	50	10	BBGE	
CC=CCCCNC(=O)c1nccnc1B(O)O	2256058515	FBMJYRIBMXHUGJ-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1cc(B(O)O)co1	2258151534	QOQNRESIHNKHQS-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@H]2CCC[C@@H]21	2298369359	RRCHJUOGMBCPTE-JXUBOQSCSA-N	239.080	-0.371	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300146684	KQRABAGIZLQFGB-ZOZBQHSOSA-N	239.080	-0.779	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300201049	KHZPYIYFBILIHD-HHKYUTTNSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](CF)N(C)c1ccc(C=O)c(B(O)O)c1	2301418760	DEWAWZXOCOEWEM-MRVPVSSYSA-N	239.055	-0.027	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@@]12CCOC[C@@H]1C2	2303104315	JTKZCFSNDCMNHR-IQJOONFLSA-N	239.080	-0.512	50	10	BBGE	
Cc1nnc(CCCN2CC[C@@H](B(O)O)C2)o1	2303106962	VOZVJEMOVBDYQG-SECBINFHSA-N	239.084	-0.141	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)N2CC[C@@H](B(O)O)C2)CO1	2303109871	VODRDNAZYNDLTI-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CO)Nc1ccc(B(O)O)cc1C#N	2317164466	AAXGBDPONHQGHK-GFCCVEGCSA-N	248.091	-0.189	50	10	BBGE	
C[C@@]1(CO)CCN1c1ccc(B(O)O)cc1C#N	2317168123	QHCMOCCWJTWERV-LBPRGKRZSA-N	246.075	-0.801	50	10	BBGE	
O=Cc1ccc(NCC2(CO)CC2)cc1B(O)O	2317351797	OFXVTESQLXQSCN-UHFFFAOYSA-N	249.075	-0.637	50	10	BBGE	
C#C[C@@H]1CCCCN1c1cc(B(O)O)c(F)cn1	2320794168	BGSOKCWKYDANQX-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)ncc1F	2320795894	AWQPRALSZATCHI-LEQIOUOKSA-N	248.066	-0.255	50	10	BBGE	
C=CC[C@H]1COC[C@H]1Nc1ncccc1B(O)O	2321009712	UTQOFGXMIBFWHE-GXSJLCMTSA-N	248.091	-0.236	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2O[C@H]3CC[C@H]2C3)c1	2327536532	KVUIQWJRQYXFGW-LSJOCFKGSA-N	249.075	-0.292	50	10	BBGE	
N[C@@H](CNC(=O)C(Cl)Cl)C(=O)O	5502115	PAHYLGNCWNFZMN-REOHCLBHSA-N	215.036	-0.682	50	10	BBGE	
CN(C)C(=O)CCNC(=O)NC(=O)CCCl	45014371	KVOZYOYICQYLEM-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CCOCCCNC(=O)CCCC(=O)NN	58853145	MEWXHMKVFQUGEY-UHFFFAOYSA-N	231.296	-0.311	50	10	BBGE	
NNC(=O)COCC(=O)Nc1cccc(F)c1	58862021	BMPZSBYGYRFTGQ-UHFFFAOYSA-N	241.222	-0.229	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N2CCCC2)C1	82469106	ACTGHUSIFIOJKP-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CC(C)[C@H](Sc1n[nH]c(=O)n1C)C(=O)NN	82472655	MWAKXQALMCGUIY-YFKPBYRVSA-N	245.308	-0.785	50	10	BBGE	
O=C(O)CNC(=O)c1ccc2c(c1)C(=O)OC2=O	104182737	KLSMJBWQMULWRH-UHFFFAOYSA-N	249.178	-0.188	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)CCS1	123643176	VUCNTNKNOKUFQJ-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CCCC(=O)NN)C1	166155440	WIYNZIMRAIIZNF-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
O=c1ccn(Cc2ccccc2B(O)O)cc1	203149830	MZIISRNRKRDUJM-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
OB(O)c1cccc(O[C@@H]2CCOC2)c1	203528493	SJFGCLLFAWAROV-SNVBAGLBSA-N	208.022	-0.466	50	10	BBGE	
COCCn1cc(Br)c(B(O)O)c1	206163812	AZIFBADNULZSOM-UHFFFAOYSA-N	247.885	-0.423	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)C(C)C	211884560	OBSAKQFUQJNWLF-VIFPVBQESA-N	217.313	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCS(=O)CC1	211962464	XNZGJKATCYRMRZ-MRVPVSSYSA-N	233.337	-0.791	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](C(N)=O)C1	218349700	NREAHJDTTLNRQK-RITPCOANSA-N	204.657	-0.053	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)[C@H](C)Cl	227260526	HKHWDJXIJSNBEJ-WHFBIAKZSA-N	209.629	-0.736	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)C[C@@H]1C	232744109	OOEFHDGWUBYTJI-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1ncn(C)n1	235167210	DUNNEBQCVDIGDJ-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
CCOC(=O)c1ncc(Cl)cc1B(O)O	238282758	FSIPYEGUUGSYDK-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)C[C@H]1C	250354974	RYTCVTLGYIWFAT-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COc1ccc([C@H](N)C(=O)NN)c(OC)c1	259032902	ROCNOVDXKJGNNT-VIFPVBQESA-N	225.248	-0.307	50	10	BBGE	
C=C(C)CNC(=O)NNC(=O)[C@H]1COCCO1	275049563	VFYONNREWDCPGG-MRVPVSSYSA-N	243.263	-0.692	50	10	BBGE	
CCC[C@H](SCC(N)=O)C(=O)NN	300858601	UVVMVMOYYWPDIZ-YFKPBYRVSA-N	205.283	-0.637	50	10	BBGE	
CCN[C@H](C)Cc1cccc(B(O)O)c1	308899210	TZWLMMLMUUKAFH-SECBINFHSA-N	207.082	-0.093	50	10	BBGE	
C#CCNC(=O)c1cc(F)c(B(O)O)c(F)c1	310275742	FQSRGKGQSQNURH-UHFFFAOYSA-N	238.986	-0.992	50	10	BBGE	
O=C(CCl)NC(=O)NCCn1cncn1	381937974	SWVURQYBRBYFJA-UHFFFAOYSA-N	231.643	-0.657	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C(N3CCCC3)[C@@H]2C1	395294665	ZRKIEOKHLLVLHQ-OPRDCNLKSA-N	238.335	-0.609	50	10	BBGE	
NNc1cc(OC(F)(F)F)cc(B(O)O)c1	396059735	YLDHFWGPSUGTGD-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
Nc1c(B(O)O)cc2ccsc2c1C=O	396270050	GVYFMFBXEAVXRQ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@@H]1CNC(=O)C1	398292549	HAIPIHQBIWBUGO-WDSKDSINSA-N	247.682	-0.424	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC[S@](C)=O	399890860	HMMDDUXHUIEGRD-AYVTZFPOSA-N	235.353	-0.545	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1ccnc(B(O)O)c1	405002612	KYTJOUNUYXIYOF-MRVPVSSYSA-N	236.080	-0.008	50	10	BBGE	
C[C@H]1CCO[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	405025200	ZXPFIYNTCQCBPZ-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CC(F)(F)C(=O)Nc1ccc(B(O)O)cc1	405030725	NNISCVXKVVDDTL-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
C[C@H](CN1CCCC[C@@H]1[C@@H](C)O)C(=O)NN	688638280	HKEOOABHMIOPSV-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)C[C@H](C)O1	689142820	FAJDRDGALOPNEJ-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CNC[C@H]2C3)CC1	693293610	PKBNJTAVCHWOCP-SKDRFNHKSA-N	235.287	-0.527	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(C#N)C1	693992982	UXTIXUIUHOAKBS-PSASIEDQSA-N	210.281	-0.010	50	10	BBGE	
COC[C@@H](C)n1nc(C)c(B(O)O)c1C	694272053	VIMPKNPGVDQKPO-ZCFIWIBFSA-N	212.058	-0.613	50	10	BBGE	
Cc1cc(CN2CCNC2=O)oc1C(=O)NN	696378878	RPPKYLOZRKZQKK-UHFFFAOYSA-N	238.247	-0.283	50	10	BBGE	
COCCn1cccc1C(=O)NNC(N)=O	700869262	RGXIQDPIYGDZQC-UHFFFAOYSA-N	226.236	-0.552	50	10	BBGE	
CCO[C@H]1CCN([C@@H](C)CC(=O)NN)C1	701693881	XEZFXNYLWMATDW-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@@H](Cl)C#N)C1	703178930	FHLPYLFNXJGPMH-LURJTMIESA-N	237.712	-0.649	50	10	BBGE	
COC[C@@H]1CN(CCCCC(=O)NN)CCO1	705870237	UKZKHBSFMDEQJC-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)c1ncc(Cn2ccnc2)s1	711348253	RKMGQRLIBMRPHO-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1CC(CO)C2)C(=O)NN	719153899	DMSBEVLPYOKYID-LSJOCFKGSA-N	241.335	-0.152	50	10	BBGE	
CN1CCC[C@@H]2[C@H]1CCN2CCC(=O)NN	720448685	YEGBUKUYZZFLSC-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)C1CCC1	732141654	MAEVOLGQCBSMPE-UHFFFAOYSA-N	241.291	-0.150	50	10	BBGE	
CS/C=C/C(=O)NNC(=O)[C@@H]1COCCO1	751585011	GKJJUGARBOPDNL-KNQJERJVSA-N	246.288	-0.574	50	10	BBGE	
C[C@@H](CC(=O)NN(C)C1CC1)NC(N)=O	848228890	DGBWOJUFLKOYGO-LURJTMIESA-N	214.269	-0.441	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	855017058	FQEADPXNDLSDCM-RYPBNFRJSA-N	240.259	-0.752	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@H]2CCC(=O)N2)[C@@H]1C	863151243	IZNUUPCTRVXUJW-GJMOJQLCSA-N	239.275	-0.208	50	10	BBGE	
CN1CCC[C@H](C(=O)NNc2ncccn2)C1=O	900112164	SXQPHFBMCHHFHF-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
CCC(CC)NC(=O)C(=O)NNC(=O)CCF	900811029	XHYVKUKPQWOSEK-UHFFFAOYSA-N	247.270	-0.202	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1ccc[nH]1	1135846810	YMMQKTOWYRUSBZ-UHFFFAOYSA-N	209.205	-0.676	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1nc[nH]n1	1136421648	YUKCTFXQXPVUQE-ALCCZGGFSA-N	221.220	-0.135	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1[C@H]2COC[C@H]21	1253567383	RJELTVBROFIVCY-ZMONIFLSSA-N	225.697	-0.211	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)CCN(C)C	1292011962	WGXFMYWKGSJOSS-ZETCQYMHSA-N	216.285	-0.466	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C/Cn1cncn1	1339538968	IRPGNAZHIVVIOC-NWALNABHSA-N	239.279	-0.822	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CCC(=O)O1	1354057478	JJSMRFIOWREOHD-NKWVEPMBSA-N	216.237	-0.964	50	10	BBGE	
CCOc1cnc(C(=O)NNc2nc[nH]n2)cn1	1457838591	VBSLVGUQEUSZDG-UHFFFAOYSA-N	249.234	-0.250	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1ncccn1	1464016853	LCEXFLIQKUONTH-XBBYQOBLSA-N	208.221	-0.143	50	10	BBGE	
CN(NC(=O)c1cnn2c1NCCC2)C(N)=O	1623320927	ULOWSBKUERRDBQ-UHFFFAOYSA-N	238.251	-0.646	50	10	BBGE	
NC(=O)[C@@H](N)C[C@@H]1C[C@@H]1Br	1877476498	RKOSKHLGUNOZPG-YUPRTTJUSA-N	207.071	-0.028	50	10	BBGE	
O=C(COCc1ccccc1)NCC#CB(O)O	1880466668	OSBVQKSGHCREPP-UHFFFAOYSA-N	247.059	-0.665	50	10	BBGE	
O=C(NCCOCCO)[C@@H]1C[C@@H]1Cl	1883634210	HTQMTSQCTMUXAY-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
NCCOCCNC(=O)[C@H]1C[C@@H]1Cl	1883638334	FARMGQSITPBZES-BQBZGAKWSA-N	206.673	-0.295	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)C1	1883647498	NGVZPNZNUPFYQQ-UGQQDIOTSA-N	203.625	-0.099	50	10	BBGE	
CN1CCC(NC(=O)F)(C(N)=O)CC1	1887186707	QVGFKPGZUPTWBQ-UHFFFAOYSA-N	203.217	-0.385	50	10	BBGE	
N[C@H]1C[C@@H]2CN(C(=O)F)CCN2C1=O	1887186914	UIBDSVUSKMWYLV-RITPCOANSA-N	201.201	-0.680	50	10	BBGE	
O=C(NCC[C@H](O)CCO)[C@H]1C[C@@H]1Cl	1893419029	IEDPGGGCMXHIOE-FXQIFTODSA-N	221.684	-0.137	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)[C@@H](O)C(=O)O	1893475648	WJMNGYSMJCVYLI-BGPJRJDNSA-N	221.640	-0.436	50	10	BBGE	
O=C1CN(CC2CC(Cl)C2)C(=O)CN1	1893509911	RZKGYZNSGQIYCB-UHFFFAOYSA-N	216.668	-0.038	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cnsc1B(O)O	1900467062	PMFJXMDAZGDSAG-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
C[C@@H](CO)Sc1ccc(C=O)c(B(O)O)c1	1901275708	KWAPXADUQHHJGU-ZETCQYMHSA-N	240.089	-0.348	50	10	BBGE	
CN(NC(=O)C[C@H]1CCC[C@@H]1N)S(C)(=O)=O	1901374803	HDYJCKVXFZAXMV-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](COC[C@H]1N(C)CC1(C)C)C(=O)NN	1901425169	ISIZSIZNWRBAGD-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
CC(C)=C(CN(C)CCS(C)(=O)=O)B(O)O	1901648348	BTDZFOSCQJHBSX-UHFFFAOYSA-N	249.141	-0.689	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1CCC[C@H]1CO	1905584448	PGUNTSJSDJGKAJ-IUCAKERBSA-N	242.084	-0.888	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@H]1C(F)F	1907447704	KFRLADPWGMLVEQ-RNJXMRFFSA-N	249.261	-0.422	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2C[C@@H]2F)c(B(O)O)c1	1908965286	MVULGGMYNKPPDE-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
C[C@H](CN(C)CC1(CO)CC1)C(=O)NN	1915531186	JORNEBMBJKRXQF-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1927867088	QIRKJVWFFWPYIR-XLPZGREQSA-N	219.260	-0.840	50	10	BBGE	
C#CCN(CCCl)S(=O)(=O)N(C)C	1933476342	IRMZEMPPTBUMJK-UHFFFAOYSA-N	224.713	-0.033	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@@H](C)CC(=O)NN)C1	1934917518	LDYVJTIUKFCVJC-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946068	YMTDUJGWKFJMHQ-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
COC(C)(C)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1936093490	FFVGIPSUVNUZOX-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(C)C2	1936727056	LRITWILUYSULEQ-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCCO3)C2)CC1	1938230575	KBPYEKZNDPVZGR-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
COCC[C@H]1CN(C[C@H](C)C(=O)NN)CCO1	1943667952	DEGXVBLARIXHDM-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](O)C[C@H]1O	1954819840	XYIYFUUBRRYMTE-BDVNFPICSA-N	207.657	-0.386	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C(=O)NN)CCS1	1958516248	ZWTOXFXBJSJEPB-RNFRBKRXSA-N	231.321	-0.376	50	10	BBGE	
NNC(=O)NCCCOC[C@@H]1CCCO1	1958699033	GSSPSBONSNXRIM-QMMMGPOBSA-N	217.269	-0.255	50	10	BBGE	
O=C1NC[C@H]2CN(C[C@H](O)CCl)CC[C@@H]12	1960164910	BFZNNHQKKUKFSM-DJLDLDEBSA-N	232.711	-0.346	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@@H]1N(C)C	1961289666	ZXMXPHZMDKZDEQ-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
C=CCCOc1ncc(B(O)O)cc1F	1961693675	BPUNHWWOCKOLLP-UHFFFAOYSA-N	211.001	-0.145	50	10	BBGE	
CON(c1ncccc1B(O)O)C(C)C	1961696936	UBKDTWIDWRFAMM-UHFFFAOYSA-N	210.042	-0.462	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]2C(F)F)n1	1961717697	FAJPULOMWUJXJL-SCSAIBSYSA-N	234.036	-0.333	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	1974541231	OUQSTMAFODYUSD-JQCXWYLXSA-N	213.281	-0.933	50	10	BBGE	
CN(CC(=O)NN)[C@H]1COC2(CCC2)C1	1975216640	WZJVTXJGMNGCDP-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H](CN1CCC(F)(CO)CC1)C(=O)NN	1975530583	JSTPREGJRWXARZ-QMMMGPOBSA-N	233.287	-0.591	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	1976404081	ZRJNVDATRKSVNH-UUFBCVLASA-N	221.304	-0.047	50	10	BBGE	
Cc1nc([C@H]2CCN2CCC(=O)NN)no1	1976768847	UHTILWRAOJAHFP-SSDOTTSWSA-N	225.252	-0.495	50	10	BBGE	
OB(O)c1ccc(N2CCC(F)CC2)nc1	1981412094	REXOBMIWLVPZGU-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
COCCCSc1ncnc(C)c1B(O)O	1981466251	VWIDENVNQHCNGW-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCCCC(=O)NN	1982044751	OWMGABMGZOXKCJ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
Cc1ccn(-c2ncc(F)cc2B(O)O)n1	1988002710	ANJCWKNFEVXJTO-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CO)C12CC2)C(=O)NN	1988761819	PSAGDGHKRCXRON-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(F)c(N)c1	1989371732	YWPYTBOCMXNBHF-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@@H](C(=O)O)C1	1990345666	HLKLPVDJAKFKQC-NKWVEPMBSA-N	231.252	-0.606	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N(C[C@H]2C[C@H]2Cl)C1=O	1991442036	KEYVWZIIRXJTDQ-HSUXUTPPSA-N	246.650	-0.293	50	10	BBGE	
O=C1CN([C@]23CO[C@](CF)(C2)C3)CC(=O)O1	1993877030	IPXIJVBYIQZUJH-MGCOHNPYSA-N	229.207	-0.357	50	10	BBGE	
C[C@H](CN)SCC12CC(C(=O)NN)(CO1)C2	1993882111	RWTRDDWREUWKSS-CUUXFQNZSA-N	245.348	-0.394	50	10	BBGE	
CN(CCCC(=O)NN)C1(CCO)CCC1	1994893296	UYCTVURNGOESBU-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C[C@H]2C[C@@H]2C(=O)NN)CO1	1996342078	LGGZDIHTOLVBDD-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CCNC(=O)C1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2002651957	IXJWSECJBYHQCF-SFYZADRCSA-N	242.323	-0.931	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1Cc2cnn(C)c2C1	2003026964	JPAJGSLXXYPWGL-JTQLQIEISA-N	237.307	-0.250	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]([C@H]2CCOC2)C1	2004397368	WGNVIDSXYFBHPM-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
Cn1nccc1[C@H]1CCCN1C(=O)C(=O)NN	2004398710	JJAYVLBFVZTCRE-MRVPVSSYSA-N	237.263	-0.927	50	10	BBGE	
CN(c1cnn(C)c1)c1ccc(B(O)O)cn1	2004916111	HWSNHGBQLDQRPR-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
CC1(C2CC2)CN(c2ccncc2B(O)O)C1	2004916567	MXKPPYVWESQVCX-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)CC(F)(F)C(=O)NN	2006201547	QXBVIXGSAQIQMV-WHUPJOBBSA-N	249.261	-0.564	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H](C3)[C@H]2CO)CC1	2008975046	KWCFQWRWRZYHLP-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@]1(O)CCOC1	2013284714	QQTNPVDPXRVANS-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
COCCOCCCN(C)C[C@H](C)C(=O)NN	2013418016	PGDVLSATQQWUDH-JTQLQIEISA-N	247.339	-0.403	50	10	BBGE	
CN=c1cc(N2CCC(O)(C#N)CC2)cn[nH]1	2014264785	WAGAIPZFYNUDJT-UHFFFAOYSA-N	233.275	-0.205	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@H]3C2)nc1	2014769225	CRJNIDBFNQPSMJ-BDAKNGLRSA-N	233.080	-0.607	50	10	BBGE	
CC1(NC(=O)N[C@H](CB(O)O)C(=O)O)CCC1	2015625538	CMRNCJALBZVRAF-ZCFIWIBFSA-N	244.056	-0.846	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016372056	XCIBVNIEFRBJMS-OJHQEIPXSA-N	239.319	-0.423	50	10	BBGE	
COC1CC(CN(C)CC(=O)NNC(C)=O)C1	2019208760	HVIWVZWXKJDKOQ-UHFFFAOYSA-N	243.307	-0.490	50	10	BBGE	
Cn1cccc1C(=O)N[C@H]1CCC=C1B(O)O	2020055718	DMCZALSLELIUBO-VIFPVBQESA-N	234.064	-0.144	50	10	BBGE	
C[C@H]1CC(=O)N1CC12CC(C(=O)NN)(CO1)C2	2023846723	NDNROHOVKOMRQZ-ARTQYDKTSA-N	239.275	-0.854	50	10	BBGE	
Cc1cnn(C)c1COc1cccc(B(O)O)c1	2036787917	GOALGGHLGXLXLH-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(B(O)O)c1F	2060094081	LBXCDSIMEQBJKK-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
Cc1ncn(C)c1COc1ccccc1B(O)O	2068322144	RCWRLVCMMROJFF-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2071024944	CRPOCQKZAKWVNF-OFPNECHXSA-N	246.075	-0.563	50	10	BBGE	
CC(C)(CN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2210695601	OJAQASPUDNNGNM-JGVFFNPUSA-N	233.287	-0.593	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@H]2C[C@H]21	2211141855	YLDRBQDWYUKLDV-OIBJUYFYSA-N	238.121	-0.193	50	10	BBGE	
CCNC(=O)CSC[C@H]1CC[C@H]1C(=O)NN	2211838040	BLMVXBOEGWOQEP-HTQZYQBOSA-N	245.348	-0.128	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1(N)CC1	2214605950	QLQFDSXFLNFTMT-UHFFFAOYSA-N	234.108	-0.711	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CCC(=O)N2)C1	2216173462	SYDZCDAVADGDMG-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H](O)[C@H]3C2)CCC1	2216496380	BBSKMJNYIDLHAG-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)C1(Cn2cc(C(N)=O)cn2)CCC1	2216529517	DIJYGWHKEXXDKF-UHFFFAOYSA-N	237.263	-0.858	50	10	BBGE	
CC[C@]1(Nc2ccc(B(O)O)cn2)CCNC1	2217180079	FBJBTSHTHYVLJR-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC=CC[C@@H]32)nc1	2217181375	OXEUHRPIGZRFIA-KOLCDFICSA-N	230.076	-0.084	50	10	BBGE	
CNCC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217183754	KTUYFHYDGZJFDP-VIFPVBQESA-N	237.112	-0.520	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccnnc1	2223653415	RHLMEAXNYMXLBO-UHFFFAOYSA-N	244.063	-0.794	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cnn(C)c1	2223668418	ZDJOKRJYUSQLPA-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
Cc1noc(CCNc2cc(B(O)O)ccn2)n1	2223674761	NEYXKSQNAIQMMW-UHFFFAOYSA-N	248.051	-0.893	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)C1CCNCC1	2223675528	RRGKSYZWCHTCNW-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(F)F	2241478683	KGMGBUJNDCXQJJ-MROZADKFSA-N	206.985	-0.381	50	10	BBGE	
O=C(NCC=CCl)[C@@H]1C[C@@H]1B(O)O	2242564340	YQWIXAXZDOTCMZ-RITPCOANSA-N	203.434	-0.282	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)c[nH]1	2243357664	ZTUBZRBCJYFEOQ-ARJAWSKDSA-N	222.053	-0.610	50	10	BBGE	
C[C@H]1CNC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363635	JXULJQDQPOFIGW-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1occc1B(O)O	2243363950	OZSCUVORDFVLPM-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
Cc1sc(C(=O)NCC#N)c(B(O)O)c1C	2243376342	IVGRWGVMFFZIJX-UHFFFAOYSA-N	238.077	-0.702	50	10	BBGE	
Cc1sc(C(=O)NCC(F)F)cc1B(O)O	2243381477	GJWUCRPBNBAHBU-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
CN(CCCF)C(=O)c1nscc1B(O)O	2243398701	SKTYNHSGKNKMKI-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
O=C(NCCC(F)F)c1cc(B(O)O)c[nH]1	2243401606	UQAAESKAYMGVCX-UHFFFAOYSA-N	231.995	-0.921	50	10	BBGE	
O=C(NC1(CCO)CCC1)[C@H]1C[C@@H]1B(O)O	2243404542	PWNPCHASQNUKDT-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2244310242	FJPDRRQVRYCPCO-CKEKPRIKSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cncc(OCC[C@@H]2CCO2)c1	2246222480	VGNSLXSJZPIKBA-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
CC(C)(CNC(=O)C1(B(O)O)CCC1)C(N)=O	2247733185	NEHLFUFSDVPKJK-UHFFFAOYSA-N	242.084	-0.989	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247741305	XNIRABACLQGTCO-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](C1CCOCC1)N(C)C(=O)C#CB(O)O	2247742280	MSTPOIHAGVSIMK-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
Cc1ccc([C@@H](C)NC(=O)C#CB(O)O)cn1	2247747127	JHKFLFMIJDLZRU-SECBINFHSA-N	232.048	-0.417	50	10	BBGE	
C=C1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2247756317	FNUFLQDMKGDAIF-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC2CC2)c1	2247760098	BSDAUDSQSYCPIA-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
CC[C@@H](C)N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787814	VHEBCIPVKMLUOC-BBBLOLIVSA-N	243.112	-0.141	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CCN1	2247797874	NWSALMZFNYQOAX-AUXWQGHOSA-N	240.112	-0.504	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)N1	2247798818	XKMSUDJRWKWVFB-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2247801059	WLXWJPWOCNZJMH-SVSWQMSJSA-N	241.096	-0.079	50	10	BBGE	
NCc1cccnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247804054	DYHRSRGSJBHTJG-HTQZYQBOSA-N	235.052	-0.658	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@@H]21)C1CC(B(O)O)C1	2247806635	OAMPFCQIFNFHJD-HZUXAKDWSA-N	238.096	-0.894	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809108	NXCPCUXKFSDFCN-GUBZILKMSA-N	239.080	-0.347	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccc(B(O)O)o1	2247846465	GZWQWASALYSUKK-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C=CCO[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247849687	DEIGYEWGGWJRNN-SNVBAGLBSA-N	237.064	-0.805	50	10	BBGE	
C#CCCCCNC(=O)c1ccc(B(O)O)o1	2247851015	VKYDGTYFYMEALX-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2247855367	RGFNPQDTCSJQCQ-OEZYJKACSA-N	239.080	-0.779	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)C1CC(B(O)O)C1	2247855584	VAJMYJDFSCEOHA-UDNWOFFPSA-N	240.112	-0.421	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)oc1C	2247868060	PSUJBZBZXJANAV-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)cn1C	2247868182	DMGJPZRQOPJLDI-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
CC(C)CN(CCO)C(=O)C1(B(O)O)CCC1	2247879254	SHGAFSQIMDBABH-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2[C@@H](O)C[C@H]2C1	2247896070	DRTDPBJPVAUHCY-WLRJLXCNSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898887	IIUCIBXMDMLSHJ-UYAYMFIHSA-N	241.096	-0.483	50	10	BBGE	
NCCC1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247899163	LAOLOVBSNKBDPH-NXEZZACHSA-N	240.112	-0.563	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C)OC[C@@H]1C	2248476750	FPWCNYPZFWFTFR-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2248576887	JKDSXJSUDDHAJL-FXQIFTODSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2248579974	YHKLUKWCFFHTCR-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249427728	KKGVTDOQKNTYHI-VIFPVBQESA-N	235.048	-0.346	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCCCCC1	2255451958	BOICDNJKNJBBOT-UHFFFAOYSA-N	248.091	-0.222	50	10	BBGE	
CC1=CCCC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255476807	QCRIUVZUZJKRJJ-JTQLQIEISA-N	248.091	-0.077	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255485470	RIQMGNXLZJPKFR-QMMMGPOBSA-N	248.091	-0.236	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1ccc(C)c(B(O)O)c1	2255514468	JAAXXRHIHWRDAX-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
O=C(NCc1cc(C2CC2)n[nH]1)[C@@H]1C[C@H]1B(O)O	2255563862	KCZHQFFNUANOBV-RKDXNWHRSA-N	249.079	-0.234	50	10	BBGE	
NCCCc1cccc(NC(=O)C#CB(O)O)c1	2255679334	GPVXMVRNWUMLMJ-UHFFFAOYSA-N	246.075	-0.468	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)o1)C1CCC1	2255714619	TVPBCPGTJIKMDN-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)[C@@H]1C[C@H]1C	2255716653	FEZITVAVRBCITF-VHSKPIJISA-N	248.091	-0.464	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cccc(C)c1B(O)O	2255730834	VBCPRVKOKMWBST-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2ccnc2)C1)[C@@H]1C[C@@H]1B(O)O	2255769761	MMMNGZPCZRODIK-KYXWUPHJSA-N	249.079	-0.434	50	10	BBGE	
N#CCC1(CNC(=O)c2cocc2B(O)O)CC1	2258120464	BYPJONMJEUCDIM-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1nccnc1B(O)O	2260223180	AFOBTRSLNAYPTN-QMMMGPOBSA-N	249.079	-0.902	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@H]1CO	2298165893	DZPRMSJRQBUYHS-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3CO[C@H]2C3)c1	2298564217	KFDAATNADZUOIA-HGNGGELXSA-N	234.064	-0.649	50	10	BBGE	
C[C@H](O)CCCN(C)c1cc(B(O)O)ccn1	2299584435	QJWRPRYRORTURX-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2299935629	YFHZSMNWUMODJI-UYAYMFIHSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](COc1ccc(C(N)=O)cc1)C(=O)NN	2301610058	ANFDYLUCGDHBDR-SSDOTTSWSA-N	237.259	-0.210	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302404450	YTNVOBIBONPIQL-MMWGEVLESA-N	240.351	-0.221	50	10	BBGE	
CC#CC(=O)Nc1cc(F)c(F)cc1B(O)O	2306882222	AGJLHSRKBSKGJI-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@@H]3CCOC[C@@H]32)c1	2312613709	NCLCNCDDHHWDNY-DCAQKATOSA-N	248.091	-0.544	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCC1(O)CC1	2317160881	JHNSGXHDJCQILA-UHFFFAOYSA-N	246.075	-0.435	50	10	BBGE	
CC[C@@H](CO)CNc1ccc(B(O)O)cc1C#N	2317162702	SWEOSVPSIPFVQH-SECBINFHSA-N	248.091	-0.332	50	10	BBGE	
CCCN(CCN)c1ccc(B(O)O)cc1C#N	2317165979	QEQJMNCMGCNJRR-UHFFFAOYSA-N	247.107	-0.587	50	10	BBGE	
O=Cc1ccc(N[C@H]2CCC[C@H]2O)cc1B(O)O	2317313198	SYCPCAOGILNIAC-NWDGAFQWSA-N	249.075	-0.496	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2ccn3ncnc3c2)C1	2319705123	OONDXNROIULTQM-SNVBAGLBSA-N	246.079	-0.222	50	10	BBGE	
CN(Cc1ccsc1)C(=O)C(=O)NN	35719703	SCXXERNKRAKGSG-UHFFFAOYSA-N	213.262	-0.304	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)C(=O)O	37405295	DFEMUSQNHZBDMU-BYPYZUCNSA-N	220.250	-0.640	50	10	BBGE	
C[C@@H](CCl)C(=O)NCc1nnn[nH]1	54715716	VAXKNAGNNZDUAB-BYPYZUCNSA-N	203.633	-0.309	50	10	BBGE	
C[C@H](O)CN(C)Cc1cc(C(=O)NN)no1	82468177	UZQUMITZQARQQH-LURJTMIESA-N	228.252	-0.909	50	10	BBGE	
COCCN(CCC#N)C[C@@H](C)C(=O)NN	82468800	WJNUYFWBSCCNBO-SECBINFHSA-N	228.296	-0.526	50	10	BBGE	
Cc1cccc(CN(C)C(=O)C(=O)NN)n1	87332480	MYKVFXNUELILOQ-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[C@@H]1O	127606643	WWKTVMLCCKHIRK-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCS(=O)CC1	132773487	MHGIZHVDMNRLFI-LURJTMIESA-N	225.697	-0.257	50	10	BBGE	
C[C@@H](CNC(=O)NN(C)C)CC(=O)O	149128036	IIWGRITYVBTKEW-ZCFIWIBFSA-N	203.242	-0.127	50	10	BBGE	
COCCC[C@](N)(CCCCB(O)O)C(=O)O	170185210	PWLFEFYVZPXSMM-SNVBAGLBSA-N	247.100	-0.162	50	10	BBGE	
CC(C)N1C[C@H](C(=O)NN(C)C(N)=O)CC1=O	179694686	QUCVZBGUBPEHTA-SSDOTTSWSA-N	242.279	-0.715	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1ccnc(C#N)c1	192513231	JWOJLTICRMOKSL-UHFFFAOYSA-N	247.258	-0.724	50	10	BBGE	
OB(O)c1cccc(Nc2nncs2)c1	200851510	VBTFGFBSRQVFAC-UHFFFAOYSA-N	221.050	-0.039	50	10	BBGE	
COC(=O)CN[C@H](C)c1sccc1B(O)O	204361059	BUUZNTROHTYUAS-ZCFIWIBFSA-N	243.093	-0.749	50	10	BBGE	
COC(=O)c1c(B(O)O)ccc(OC)c1OC	204412349	GPSZXCPIVSNLMU-UHFFFAOYSA-N	240.020	-0.830	50	10	BBGE	
COC(=O)N1CCC[C@H](CC(=O)NN)C1	215366427	OJBVJGIHWNOMRN-SSDOTTSWSA-N	215.253	-0.155	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)C(C)(C)CCl	227260726	VZTHJOXISAVELL-LURJTMIESA-N	237.683	-0.099	50	10	BBGE	
NC[C@@H]1CCN(Cc2cccc(C(=O)NN)n2)C1	236218392	KXIDHRJBOKRTSJ-VIFPVBQESA-N	249.318	-0.534	50	10	BBGE	
O=C(CO)NNC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	248509172	YREYOKDNQNXCRH-XRRXOLGASA-N	224.260	-0.582	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@@H](C)[C@H](C)C(=O)NN	300247656	ZGIRXIMJASOQSY-VGMNWLOBSA-N	244.339	-0.685	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(N)=S	300393184	ZWPSHBSUEWBPSK-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
CCNC(=S)NNC(=O)c1cncnc1N	309313637	XXRHTBDSXDPLFQ-UHFFFAOYSA-N	240.292	-0.812	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)C(=O)C(=O)O	309402335	WNJCEJHIYSVHBG-UHFFFAOYSA-N	230.220	-0.776	50	10	BBGE	
NC(=O)CC(=O)NNc1cc(Cl)nc(N)n1	309644693	VQFZBZPVOFLEJG-UHFFFAOYSA-N	244.642	-0.969	50	10	BBGE	
N[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	310239460	SMODZDWDAYGSIG-AEJSXWLSSA-N	238.096	-0.717	50	10	BBGE	
COC(=O)c1c(CCC#N)cccc1B(O)O	396136550	IQXCDNNJBNHFNB-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
COC(=O)CCc1cc(S)cc(B(O)O)c1	396140098	PQOCSGXPKDDTLX-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
Nc1cc2sccc2c(C=O)c1B(O)O	396280133	YGTUAOCUXYZSQM-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CCCCC(=O)NN)C1	401697252	KQQBBJNKFJCSMW-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@]1(C(=O)Nc2cccc(B(O)O)n2)C[C@H]1F	404964045	AWMQQCVDGMNSTD-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(F)c(B(O)O)c1	404996979	HLLYKCWYBQEOOW-LURJTMIESA-N	241.027	-0.521	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(B(O)O)c(C)c1	405014774	BKOVVPKGZLXKON-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1CC(=O)NN	688640293	PAQYTKTXYVNEEN-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]([C@H](C)O)C1	688957727	IDLHNICZBDZDRM-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(c2nccc(N)n2)CC1	692132408	AAPKJXBIYKYKAQ-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2cnccn2)c1	693557043	HZEPZTPMHBMHNH-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C[C@H](Cl)C#N	699188410	UEOJJJHXLVPNPA-HRDYMLBCSA-N	218.684	-0.065	50	10	BBGE	
CC(C)c1nnsc1C(=O)NCB(O)O	702018671	YPPADPCJRIQERI-UHFFFAOYSA-N	229.070	-0.597	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCCl	703193384	QXLTWZVTMWWPNP-RFZPGFLSSA-N	222.628	-0.760	50	10	BBGE	
CCOC[C@@H]1CN([C@@H](C)C(=O)NN)CCO1	705878392	OHCQXEGPAWGSRI-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOCC12CCC2	707227943	PLIIPZITUBLFPV-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
O=S1(=O)CC(CN[C@H]2COC[C@@H]2Cl)C1	722780047	NELJAQHYNKNHJR-YUMQZZPRSA-N	239.724	-0.373	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724815929	IYUOTLKOWMLLST-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
COC1CN(C2=C(C#N)[C@H](N)[N]S2)C1	725578706	JBETZSQVKHGBMY-SSDOTTSWSA-N	211.270	-0.397	50	10	BBGE	
CCONC(=O)NNC(=O)Cc1ccccn1	729223930	RNPUDQDEAJDTCE-UHFFFAOYSA-N	238.247	-0.094	50	10	BBGE	
CN(NC(=O)[C@H]1CCCC12OCCO2)C(N)=O	774094115	VYEYXYNJAKOLHR-SSDOTTSWSA-N	243.263	-0.429	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@]1(C)C[C@@H](O)CN1C	824156128	JHJAOZYTAAHXEM-XCBNKYQSSA-N	245.279	-0.829	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@@H]1COC(=O)N1	861294070	NQBZHJGICDOOKF-ZETCQYMHSA-N	236.231	-0.058	50	10	BBGE	
CON[C@H](C)Cc1cccc(B(O)O)c1	1088207794	HQHAIFLDQIWALC-MRVPVSSYSA-N	209.054	-0.552	50	10	BBGE	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC12CC2	1136452994	PVQRMJSJYALYOS-QMMMGPOBSA-N	239.275	-0.141	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cccc2ncnn12	1472573865	DWKUPUJFDCFSRS-UHFFFAOYSA-N	244.218	-0.396	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cccnn2)no1	1537019684	DAGBWDCQUGJAIZ-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1540458833	GDZXOLNGMSCDIV-SFYZADRCSA-N	241.291	-0.309	50	10	BBGE	
Cn1cc(C(=O)NNc2ccncn2)ccc1=O	1556681619	PVSDXGJIHXEHEG-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
NC(=O)C1(OC[C@H]2C[C@@H]2Cl)CNC1	1883551705	KLFPEHWONOJXTE-RITPCOANSA-N	204.657	-0.542	50	10	BBGE	
O=C1C[C@@H](NC(=O)CCBr)C(=O)N1	1884196072	PUDRHKQTZVPERE-SCSAIBSYSA-N	249.064	-0.697	50	10	BBGE	
N[C@H](CO)c1cn(C[C@H]2C[C@H]2Cl)nn1	1893097996	GKQCWJRXAKKAGB-FSDSQADBSA-N	216.672	-0.103	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)C(CO)CO	1893496961	ABJILTOQGDYBMV-NSCUHMNNSA-N	221.640	-0.880	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1895084390	PAIPBTVXGVLKLC-YIZRAAEISA-N	227.308	-0.136	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](F)[C@H](F)C1	1895125956	MCJLLZIVRUATTA-HTQZYQBOSA-N	228.007	-0.742	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21	1895660151	CTRABBICDJSJBA-BZNPZCIMSA-N	227.308	-0.544	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CS[C@@H]2CC[C@@H]2N)O1	1900454440	KYNAMPBBCNYWDX-RYPBNFRJSA-N	245.348	-0.253	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2C[C@@]23CCOC3)C1	1902506084	OXALDFKKKXPUGX-GMTAPVOTSA-N	225.097	-0.038	50	10	BBGE	
CC(=O)NNC(=O)Cn1nc(C)c(F)c1C	1902632713	LHIQRAQSFBBDOF-UHFFFAOYSA-N	228.227	-0.194	50	10	BBGE	
COC[C@H](C)CNC(=O)N1CC[C@@H](B(O)O)C1	1905582745	CLCSLEZISKYWHU-RKDXNWHRSA-N	244.100	-0.473	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@]2(CO)C1)C(=O)NN	1906341616	VVXGXGUKFOJXHY-JOYOIKCWSA-N	241.335	-0.293	50	10	BBGE	
Cc1ccc(CN=S(C)(C)=O)cc1B(O)O	1913503182	PWXOEEJINXVFOD-UHFFFAOYSA-N	241.121	-0.098	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1(C2CC2)CC1	1913629718	PEKNCACZNKYVDD-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1CC12CCC2	1913633253	GBWWRUNKTVBTFP-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
CCCN(C1COC1)[C@H](C)C(=O)NN	1915661785	YISZVJFLSUONJL-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
O=C(CBr)N(CCO)C1COC1	1915688697	KTNVHXVNYQFSEG-UHFFFAOYSA-N	238.081	-0.399	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](F)(CO)C1	1917087177	MTTLBYPLLVDQRV-VXNVDRBHSA-N	219.260	-0.839	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](C#N)CC1	1928982947	SAYMFXIYAPTJGV-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCCS1	1929834044	VCXOHCAIBOUYNB-SSDOTTSWSA-N	204.295	-0.115	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@]1(C)CO	1932967356	MFCVOQRWVDQDEU-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)NNC(N)=O	1935365230	OGHNHZGXVJHLER-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)NNCCO	1935369983	DQATUWPXXSXGDQ-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
O=C1CN([C@H]2COC[C@H]2C2CC2)CC(=O)O1	1936119704	DYBGMXNMNSPUAX-IUCAKERBSA-N	225.244	-0.203	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	1940669437	JDSYNGUNIHOTOZ-JBLDHEPKSA-N	240.351	-0.362	50	10	BBGE	
CN(Cc1ccncn1)CC(F)(F)C(=O)NN	1940885689	BQAQPOPUWAKVPV-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C[C@@H]1C[C@@H]1C(=O)NN	1941088656	RTHKKKHZURFKFR-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H](CCF)C2)CC1	1945882130	CFXOIDDQXBHPOI-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC2)C[C@H]1CO	1949696448	DGGWDRMDQMCJIG-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@H]2[C@H](CO)C3)CC1	1951025423	HXSBZBWFPRZBAB-GUBZILKMSA-N	239.319	-0.398	50	10	BBGE	
NC(=O)[C@H]1CCN1C[C@@H](O)CBr	1953619095	ZOJSOBUHKLXMSI-NTSWFWBYSA-N	237.097	-0.698	50	10	BBGE	
O=C(N=C=S)C1[C@@H]2CS(=O)(=O)C[C@@H]12	1954212479	QQXCVPUQVXMDCU-RFZPGFLSSA-N	217.271	-0.094	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)C[C@@H](O)C1	1954540580	ACADZWSLISIWSE-PRJMDXOYSA-N	204.657	-0.455	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(CF)C1	1955351265	JDOREGKVUMFCIN-NKWVEPMBSA-N	203.261	-0.098	50	10	BBGE	
NNC(=O)CCOC[C@H]1CCCOC1	1956964687	UEOMJZDREFEUIE-QMMMGPOBSA-N	202.254	-0.190	50	10	BBGE	
NNC(=O)N1CCC2(CC1)CNC(=O)C2	1959598686	PSTITGBNPCGSAF-UHFFFAOYSA-N	212.253	-0.828	50	10	BBGE	
NNC(=O)COCCN1CC2CC(C2)C1	1959797633	NHTXWSXNUSINMR-UHFFFAOYSA-N	213.281	-0.665	50	10	BBGE	
CP(C)(=O)[C@H]1CCCN1C(=O)C(=O)NN	1960086803	JYRDDQUTDSCDJT-LURJTMIESA-N	233.208	-0.453	50	10	BBGE	
CC(C)[C@H](SCCOCCN)C(=O)NN	1961086230	HDSLTCBOMRORAT-QMMMGPOBSA-N	235.353	-0.291	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC(F)F	1961687513	MKGFYMOEOIGRIH-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
O=C(CN1CCCC1)N1CCC(B(O)O)CC1	1971372237	FNUIHVNCEXZWMN-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1	1976104754	VMYRISMBEINIKO-FSDSQADBSA-N	244.678	-0.265	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CC(N2CCOCC2)C1	1980620166	YMGYMIXPEODYKY-SECBINFHSA-N	248.710	-0.305	50	10	BBGE	
Cc1nnc(CN(C)CCCC(=O)NN)o1	1981094608	ZGJFJXZXTZCKOT-UHFFFAOYSA-N	227.268	-0.420	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1CCCCC(=O)NN	1981192359	QTALXOGOCGKRHZ-FVMDXXJSSA-N	247.364	-0.401	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCOC1	1981429099	AMSGTHCSLIFWCC-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC(F)(F)C(=O)NN	1984129394	CNKPUTRKBOBCBK-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CCC(F)(F)C(=O)NN	1984130580	VFJOLLHKCONSLA-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@H]2CC2(F)F)O1	1985869113	BBDJERWBKUYQFQ-ACZMJKKPSA-N	236.218	-0.052	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCc2ccoc21	1985948984	RTXRCQSBJOAZLQ-SSDOTTSWSA-N	223.232	-0.237	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC12CC(F)(F)C2	1988333810	WRXJZEKXPKVCOL-RXMQYKEDSA-N	233.218	-0.472	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSCCC1=O	1989923231	WFKSEYWAPHSNOS-HTQZYQBOSA-N	243.332	-0.422	50	10	BBGE	
NC[C@H]1C[C@H](NC(=O)C=CC(=O)Cl)CCO1	1991662913	PHVWMOBVTPUTQM-HTQZYQBOSA-N	246.694	-0.070	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H](N2CC(O)C2)C1	1991693313	MFYQUIRLDRXBSL-SFGNSQDASA-N	244.722	-0.109	50	10	BBGE	
CC12COC(C(=O)NCC=CB(O)O)(C1)C2	1994603028	NFWKEIJECRSERD-UHFFFAOYSA-N	225.053	-0.760	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@H]2COC[C@@H]21	1996486116	XTEKLFLCMUIKQE-JXUBOQSCSA-N	243.307	-0.900	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	1996646381	UADFDOVYBRUCDW-POYBYMJQSA-N	235.052	-0.859	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@@H](O)C2)c1	2000935240	UXAFVEXBKDXQGS-SECBINFHSA-N	237.259	-0.384	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](OC)C1	2000969243	WUNOJZCEGWPZAD-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@H]2CC[C@H]21	2002914127	FFIYBYURCVQBEG-ZJUUUORDSA-N	238.335	-0.465	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H]2C[C@H]21	2003506170	PBRITZOJFUXVFV-IONNQARKSA-N	235.291	-0.382	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@H](F)C1	2004916971	SDIPLXZCOHFMEK-QMMMGPOBSA-N	239.059	-0.515	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@H](C2)C1	2004918897	RGQZGERRDBGYAD-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CC[C@H](COC)Oc1ncc(B(O)O)cc1F	2004935289	WKDBYLJLIXEHNX-MRVPVSSYSA-N	243.043	-0.296	50	10	BBGE	
Cc1nc(N2CC(C3CC3)C2)ccc1B(O)O	2005013959	DPULZWQFHJYTET-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1CC=CC1	2007064096	DTDHKQZXEISVTJ-UHFFFAOYSA-N	230.036	-0.603	50	10	BBGE	
C[C@H]1C[C@H]1Cn1cnc2c(B(O)O)ncnc21	2007068369	MPDBSFPJFZQGCY-BQBZGAKWSA-N	232.052	-0.838	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C[C@@H](C)C[C@@H]2C1	2010600884	QADJPAHFTGUNSN-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](F)C[C@@H](F)C1	2011406354	RNCIEWBMQMLBKV-OCAPTIKFSA-N	242.034	-0.352	50	10	BBGE	
OB(O)c1ccc(OCCn2cccn2)nc1	2012465392	LQULWLSLALXLFS-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CCCO[C@H]1CCN(CC(=O)NNC(C)=O)C1	2019208692	HHFLUBYXZCOEHT-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1[C@H]2CCC[C@H]12	2040765164	MTYCMHHTJKNVLE-IUCAKERBSA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1ccc(N2CC(n3cccn3)C2)nc1	2052465625	BRJTZHKOTPRIRB-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3COCC[C@H]32)nc1	2052470620	GMFLSRRRLJOTBJ-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)ccc2=O)cc1	2058156376	QLZMLUYRPUIRCS-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(C=O)c1B(O)O	2060034054	CPVOPHMTCIXTTL-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1cc(C=O)c(Cl)cc1B(O)O	2060133023	ROGUOMRBVUIDSB-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@H]2COC[C@@H]21	2066310774	UXWHWIXGNXPCBC-AAEUAGOBSA-N	247.103	-0.495	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2079008969	OBESSROTDQQJLV-AOOOYVTPSA-N	245.087	-0.152	50	10	BBGE	
O=C(NCc1cnco1)c1ccccc1B(O)O	2079009565	SCDNDBSGUUXSMB-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
COCc1nc(=N[C@@H]2COC[C@H]2Cl)n(C)[nH]1	2211634612	WRDBZWIKFOLXLR-RNFRBKRXSA-N	246.698	-0.199	50	10	BBGE	
CN1CC[C@H](OC[C@H]2CC[C@@H]2C(=O)NN)C1	2211839656	XMPTVTXWONDSBF-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1C	2212601495	OTBWQGGIIMDWMQ-DTORHVGOSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1ccc(SC[C@@H]2CCNC2)nc1	2212602153	ZIJIZWQZMRCJBI-MRVPVSSYSA-N	238.121	-0.537	50	10	BBGE	
C#CCN(c1ncccc1B(O)O)C1CCC1	2217178400	VQEKSTUDFGOHEI-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
CN[C@H]1CCC[C@H]1Oc1ccc(B(O)O)cn1	2217184103	MQPUVEPLFUNTCB-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
NCCC1CC(Oc2cc(B(O)O)ccn2)C1	2217189308	BHTXBVVUNOGDOL-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
N[C@H]1CC[C@H](Oc2cc(B(O)O)ccn2)CC1	2217193378	MJQAYJXVFVRPTM-MGCOHNPYSA-N	236.080	-0.590	50	10	BBGE	
CC(C)[C@@H](O)CCNc1cc(B(O)O)ccn1	2217204844	PQGZNTRCGZWGCY-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
C[C@@]1(Nc2ncccc2B(O)O)CCC[C@@H]1O	2217205402	YKHZQOSPDLALLN-GXSJLCMTSA-N	236.080	-0.523	50	10	BBGE	
CC[C@H]1CNCCN1c1cc(B(O)O)c(C)cn1	2223649505	AHSVYZBYCSCXNT-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cn2)CC2(CNC2)C1	2223663162	XDUZVDLOSBOVRY-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
N[C@@H]1CCCCCN(c2ncccc2B(O)O)C1	2223666510	JPQCBPNQDBWFKW-SNVBAGLBSA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCCCN[C@H]32)c1	2223670641	AWEGIEPASXUSMB-MVWJERBFSA-N	247.107	-0.686	50	10	BBGE	
CC[C@]1(CNc2ncccc2B(O)O)CCCN1	2223674057	NFGWNODJEBNBPJ-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
COC1CC2(C1)C[C@@H]2Nc1cc(B(O)O)ccn1	2223679066	LGAVQHYVUSDFFA-YZRBJQDESA-N	248.091	-0.259	50	10	BBGE	
Cc1cc(CN(C)C=O)sc1B(O)O	2241559227	LXOJNSJQDMZHGS-UHFFFAOYSA-N	213.067	-0.675	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CCCOC1	2243347608	OOVZXGATSZVFJN-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
C[C@H](O)C[C@H](C)NC(=O)C1(B(O)O)CCC1	2243348354	XBPDQCJUULTZSG-YUMQZZPRSA-N	229.085	-0.341	50	10	BBGE	
C[C@@H](N)c1csc(NC(=O)C#CB(O)O)n1	2243350056	UXSZNGSEYWDLKH-RXMQYKEDSA-N	239.065	-0.883	50	10	BBGE	
C[C@@H](CCC(F)F)N(C)C(=O)C#CB(O)O	2243350153	WLVJYSVIWBANEJ-ZETCQYMHSA-N	233.023	-0.106	50	10	BBGE	
Cc1c(Cl)cc(C(=O)NC#N)cc1B(O)O	2243364422	WXYWZUPNMKEVHM-UHFFFAOYSA-N	238.439	-0.461	50	10	BBGE	
CCON(C)C(=O)c1c(C)nsc1B(O)O	2243377562	BPPIMLPJWOYEFD-UHFFFAOYSA-N	244.081	-0.845	50	10	BBGE	
Cn1ccc(=NC(=O)C2CC(B(O)O)C2)[nH]1	2243392952	YKIFRBOCEBCTAK-UHFFFAOYSA-N	223.041	-0.967	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2243397312	YTWRZPQSSYLEGD-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)C1CC(B(O)O)C1	2243414190	VMHAQAJLSRXDQQ-AFPNSQJFSA-N	229.085	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2[C@@H](C1)C2(F)F	2243415667	ZPBGYOYYXCJXFX-GBNDHIKLSA-N	231.007	-0.427	50	10	BBGE	
C=C[C@H]1CCN(S(=O)(=O)CC(=C)B(O)O)C1	2243432442	ACYZHUHQDCAMDY-VIFPVBQESA-N	245.109	-0.608	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)c(F)c1	2243674731	MZCKVMXLCLQCIY-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)C1(B(O)O)CC1	2243767982	LRGDVEYFNYBPHZ-ZCFIWIBFSA-N	227.025	-0.861	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CC[C@@](CF)(C1)OC2	2245520953	MDWDKALIHRSXCJ-IUCAKERBSA-N	231.227	-0.405	50	10	BBGE	
CN(CC[C@@H]1CCO1)C[C@H]1C[C@@H]1C(=O)NN	2246211841	KHGREXXYIPORNO-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
O=C(Nc1cccnc1)c1ccc(B(O)O)o1	2247737722	IXHBBFZALBWZEM-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C#CC[C@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2247753914	BBMFBAYBNVLEGN-VIFPVBQESA-N	237.064	-0.756	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N(C)OC)c1	2247756941	HTBKKHBADWMRFH-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
COc1ccc(C(=O)N2CCC2)c(B(O)O)c1	2247767669	CJMCCRXWCVBSSR-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
O=C(NCC1CCNCC1)[C@H]1C[C@H](B(O)O)C1	2247791674	OJNPNVLYKPHHQM-MGCOHNPYSA-N	240.112	-0.645	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(C)c(B(O)O)o1	2247792825	XJLKKFBERCYUFP-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
CCONC(=O)c1cc(C)cc(B(O)O)c1F	2247795332	GVYXNKDZQBETAP-UHFFFAOYSA-N	241.027	-0.505	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1O	2247797679	MBCMVRCVSXBZLK-BZNPZCIMSA-N	241.096	-0.628	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCCO1	2247798884	XZXXWPXOOUXESG-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCC1OCCCO1)C1CC(B(O)O)C1	2247800818	TWENHLZHECBYLV-UHFFFAOYSA-N	243.068	-0.881	50	10	BBGE	
O=C(N[C@@H]1CNC[C@H](F)C1)C1CC(B(O)O)C1	2247801055	WKHPGSZDCQVOJP-YNTFGVKOSA-N	244.075	-0.944	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247804562	HMFLZLDDPKXEJZ-WYCDGMCDSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(OCC(F)F)C1	2247806954	PFBFBSKISGQTHQ-RQJHMYQMSA-N	249.022	-0.658	50	10	BBGE	
CCC1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247809885	SCYKJZHGEFCQOB-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)C#CB(O)O)CC12CCC2	2247847856	CJLSEFLJTMZOJF-WPRPVWTQSA-N	237.064	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1c1ccc[nH]1	2247850373	NPHMCSRLQYFBDP-JTQLQIEISA-N	232.048	-0.306	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247855510	TZGJDAFOFNSASW-DJLDLDEBSA-N	241.096	-0.125	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cn1	2247868012	OYMQPSCZIZPUMK-QMMMGPOBSA-N	234.064	-0.592	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2247869409	RASDKDJHYXAWOI-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247873094	DXJVOPRKEKREJY-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CCC1(CNC(=O)C2(B(O)O)CCC2)CNC1	2247874088	IYSHVTFGBOSYNI-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247878079	HMFPMJUWDUBLIE-SFYZADRCSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2247879582	VXPJFJMTOYYGPD-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
O=C(Nc1ccnnc1)c1cscc1B(O)O	2247879741	VMLXSUPTUHUUAY-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247900182	USINMKNRPQDLSZ-QCBRBAQYSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@]2(CCN2)C1	2247904640	QVDIRQRUUFPZPR-WCABBAIRSA-N	238.096	-0.796	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@H]1B(O)O	2248573852	KMQFKCKBMYXUIW-PRJMDXOYSA-N	241.052	-0.781	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248585773	QJLMNGUIWPNWBT-ZKCHVHJHSA-N	243.068	-0.439	50	10	BBGE	
COC[C@]1(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2248708616	ROUQHRBZIKEIFP-ONGXEEELSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccncc1B(O)O	2249300402	VDPPLFRFIBOPPQ-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
O=C(NCC=CC1CC1)c1cc(B(O)O)co1	2249411063	PTUVTWNHIHCXCA-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1cocc1B(O)O	2249440752	QMHKANAORSGAQO-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NCCC#CB(O)O)O1	2250004833	PWGAQASJSSONIF-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
CN(CC[C@H]1CCO1)c1ccncc1B(O)O	2253129732	OEJQRIRQHDBHHF-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1ccnnc1	2255455757	FGKIMCBYXPCIMF-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cn1cccc1CNC(=O)c1coc(B(O)O)c1	2255456854	ULRTURKYQSVKBO-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
Cc1cccc(C(=O)Nn2cccc2)c1B(O)O	2255508799	DGPWDEHCCGGLGW-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3n[nH]cc3B(O)O)[C@H]1C2	2255548557	BLITWSRUMFHQCU-AZTOOPQRSA-N	249.079	-0.992	50	10	BBGE	
O=C(Nc1ncccc1F)c1coc(B(O)O)c1	2255721467	ZPVDAHOPJGIFBB-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(C)cc(B(O)O)c1	2255736767	SQISDFJOOJWGFQ-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369072	IBTMRZNKGHFRSW-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)[C@@H]1C[C@H]1B(O)O	2298369794	FRBFTFPUEYPUQQ-CDLYGTGVSA-N	238.096	-0.750	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298554285	QNVQMRZVBFTNHW-ABCHNEDTSA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC(CCO)C1	2300370835	LRHVVVXSLFJGIZ-GHMZBOCLSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCn1ncccc1=O	2300383389	LPPNFSXDJKWZSH-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CCC#CCOc1ccc(C=O)c(B(O)O)c1	2301451976	ASAHZVYMLRSGIQ-UHFFFAOYSA-N	232.044	-0.029	50	10	BBGE	
CSc1nc(=O)[nH]c(C)c1C(=O)NN	37400292	VLZNLABTDDBJBB-UHFFFAOYSA-N	214.250	-0.596	50	10	BBGE	
C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)NN	42871014	IHLINNLQVGSTDX-SFYZADRCSA-N	213.281	-0.081	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)c2c(N)cccc2O1	74405957	QEAUVTHKGNKQNQ-SSDOTTSWSA-N	236.275	-0.154	50	10	BBGE	
Cn1c(C(=O)NN)nnc1-c1ccc(O)cc1	75848682	SLSRTORJWPLUKG-UHFFFAOYSA-N	233.231	-0.209	50	10	BBGE	
CC(C)N(CCO)C[C@H]1CC[C@H](C(=O)NN)O1	104115441	NPTOGILJRJFJFM-NXEZZACHSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CN(C)CC1CCN(C)CC1)C(=O)NN	110582517	HOBMCKFCHWESGF-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
O=C(CBr)NCCn1ccnn1	163784182	KNXPWCAJKJMUIT-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]([C@@H](C)O)C1	166157022	UPPAQKOHQFWUBA-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN(C)[C@H]1Cc2ccc(B(O)O)cc2C1	170024754	RBIKBTNIPRNRGO-NSHDSACASA-N	205.066	-0.605	50	10	BBGE	
Cn1cnc2c1CN(C(=O)NCN=C=O)CC2	170294191	ASDMMLRJEVZRAT-UHFFFAOYSA-N	235.247	-0.219	50	10	BBGE	
NC1(C(=O)O)CC(c2ccc(B(O)O)cc2)C1	195849806	IDPPSOVMQDWRCH-UHFFFAOYSA-N	235.048	-0.974	50	10	BBGE	
OB(O)c1cc2c(N3CCOCC3)cccc2o1	221949319	OREJNFRBVFAWNO-UHFFFAOYSA-N	247.059	-0.051	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H](C#N)C1	226178577	SHMLKQKXNODTFR-CIUDSAMLSA-N	226.280	-0.775	50	10	BBGE	
C[S@@](=O)CCn1nnnc1CCl	229254132	QTFZTWBCYCEQNU-GFCCVEGCSA-N	208.674	-0.210	50	10	BBGE	
CNC(=O)[C@@H]1CCCN(C(=O)NN)C1	232296321	CBIBNKGXOQJUHE-ZCFIWIBFSA-N	200.242	-0.972	50	10	BBGE	
N#CC[C@@H](N)c1ccc(B(O)O)cc1F	238590343	XOPHGYJCNLGCGJ-SECBINFHSA-N	208.001	-0.581	50	10	BBGE	
Nc1cc(Br)ncc1B(O)O	238605862	FPLBBXUXWLXIHF-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ncccn2)CS1	265758922	BTGQCGDKMMRALW-YFKPBYRVSA-N	239.260	-0.255	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]1(C)CCCO1	267956331	JEMXOLJYCUNCOX-MRVPVSSYSA-N	201.226	-0.484	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](C)(CN)C1	306509327	BMEZSFSTHOUGJE-IONNQARKSA-N	200.286	-0.965	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@@H](CO)C1	306873676	YCGPSXFTKLQSRH-RNJXMRFFSA-N	221.684	-0.185	50	10	BBGE	
NNC(=O)c1cccc(N2CCNCC2)c1	309213980	JATBPCNYKQPIKE-UHFFFAOYSA-N	220.276	-0.300	50	10	BBGE	
C[C@H](O)CN(CCO)C[C@@H](Cl)C#N	379360740	BSJYNEOBMXHVCM-YUMQZZPRSA-N	206.673	-0.208	50	10	BBGE	
COC[C@]1(C)CCN([C@@H](C)C(=O)NN)C1	381400525	VDGXBDMWDBAXKU-WCBMZHEXSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1coc(Cn2ccnc2)n1	386821605	QZAMIQVDKBUZJI-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
Cc1cc(B(O)O)ccc1CCC(=O)O	396139604	PIVAMTNANALNJC-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CO[C@H](C)C1	401526686	OKCXCVCHJSQRAJ-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
C#CCOC(=O)Nc1cc(C)cc(B(O)O)c1	405147920	OJGUFTYZJNCSTP-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1CN(C)C	405148436	BAZVPNBAMWYWAB-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
O=C(CCCCl)N[C@H]1C(=O)OC[C@H]1O	675080521	SJTISAITPCCMFU-IYSWYEEDSA-N	221.640	-0.592	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)Cc1ccc(B(O)O)cc1	688222346	LVJRYFOYKIDROM-GXFFZTMASA-N	249.119	-0.167	50	10	BBGE	
CN(CCCCl)C(=O)c1nnn(C)n1	697204206	NJNNAAUPPYIYBI-UHFFFAOYSA-N	217.660	-0.089	50	10	BBGE	
O=C(NCB(O)O)c1cccn1C1CCC1	702022276	UHUSPOVDTXTEKX-UHFFFAOYSA-N	222.053	-0.045	50	10	BBGE	
NNC(=O)CCN1CC[C@H](N2CCC2)C1	705336804	QOQFCGKJOBYCDA-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(O)(CC)CC1	707248365	XINVREUOFRIYGG-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCC[C@H]1O	708514838	WLIMRRWXCTZFQL-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@@H](C)C(=O)NN	709609958	SJTWSXDIZDGZEL-SECBINFHSA-N	228.340	-0.504	50	10	BBGE	
OC[C@@H]1[C@H](CO)CCCN1C[C@@H](O)CCl	709879270	GMPHBRNDJKQAQK-LPEHRKFASA-N	237.727	-0.349	50	10	BBGE	
CN(CCO)Cc1cnc(C(=O)NN)s1	711157616	LLCNKYCYQHTJDD-UHFFFAOYSA-N	230.293	-0.829	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COC[C@H]2C1	718187529	WZRANKPUXGQPNJ-TXEJJXNPSA-N	247.103	-0.555	50	10	BBGE	
C[S@@+]([O])(=O)[n+]1cc(CCCl)[nH]n1	725574662	JTCXKLLVSACBIX-UHFFFAOYSA-N	210.666	-0.284	50	10	BBGE	
CN(NC(=O)c1cnccc1N(C)C)C(N)=O	760010024	NBXJKYIWVFPMML-UHFFFAOYSA-N	237.263	-0.197	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	820400314	MNVCBHWXXAQFLB-JGVFFNPUSA-N	225.248	-0.483	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846387695	BSMSSVZKKDYZAB-LURQLKTLSA-N	237.259	-0.139	50	10	BBGE	
COC(=O)NNC(=O)Nc1ccc(=O)n(C)c1	920930120	BHLDHLUSFDNQMC-UHFFFAOYSA-N	240.219	-0.222	50	10	BBGE	
O=C1N[C@H](Br)CN2CCN[C@@H]12	952958912	OVDZRLBXCHOZEN-CRCLSJGQSA-N	220.070	-0.932	50	10	BBGE	
CNC(=O)NNC(=O)c1c(CO)noc1C	1136378316	FNXYURAZSZGVQY-UHFFFAOYSA-N	228.208	-0.951	50	10	BBGE	
CNC(=O)NNC(=O)c1nnn(C(C)C)c1C	1326211697	QWYNYFGZEYJEPU-UHFFFAOYSA-N	240.267	-0.259	50	10	BBGE	
Cn1ccnc(NNC(=O)c2ncc[nH]2)c1=O	1472524200	LBLAQPARFRBBNT-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
COC(=O)NNC(=O)C1CCN(C(C)=O)CC1	1638068612	SNEQJXKAVPWENT-UHFFFAOYSA-N	243.263	-0.368	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]2F)nn1	1650883217	OIBPQIWMBPRPOW-CRCLSJGQSA-N	239.210	-0.623	50	10	BBGE	
CN(C)C[C@@H]1COC[C@H]1NC(=O)CCl	1878112392	YADDPBXDRSMZMF-HTQZYQBOSA-N	220.700	-0.082	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)CCl)C[C@@H]1O	1882755668	GIEGVERYQBCAEN-LYFYHCNISA-N	207.657	-0.120	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC#CCO	1883627251	SEBIVWPRPWKPPJ-UHFFFAOYSA-N	201.609	-0.580	50	10	BBGE	
CO[C@@H](C)CCN(C)[C@@H](C)C(=O)NN	1885397470	LYWXOOQAUYDNPA-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
Cc1c(N)c(C)c(B(O)O)c(C)c1C=O	1887551862	WJJGEIMDOYCCDY-UHFFFAOYSA-N	207.038	-0.314	50	10	BBGE	
CCOCCOCCSCC(=O)NN	1889043420	VFWIHWMALTUSGN-UHFFFAOYSA-N	222.310	-0.237	50	10	BBGE	
CCC[C@@H](COC)C(=O)NCB(O)O	1890269667	LKJNEFWEOHFHIK-ZETCQYMHSA-N	203.047	-0.823	50	10	BBGE	
NC(=O)[C@]1(OC[C@H]2C[C@@H]2Cl)CCNC1	1893097916	FUCLJIZQWWJRNM-FJXKBIBVSA-N	218.684	-0.152	50	10	BBGE	
O=[N+]([O-])c1c(F)ccc(B(O)O)c1O	1893646193	CVPKVCSOWVOKNX-UHFFFAOYSA-N	200.918	-0.881	50	10	BBGE	
CN1CC(COCc2cc(B(O)O)cs2)C1	1899515497	KNXCBNWTZJKWKL-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)C[C@H]1CO	1899604675	DFLQWSSXASBBOX-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1CN2CCC1CC2	1900892849	MUGPKYPJBPUZFI-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCN[C@H]1C	1901343297	BPCAYASTKIUBFU-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CCOC1CN(Cc2nc(B(O)O)cs2)C1	1902637055	GPMYVSHYHXUJEP-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
N[C@@H]1COCC[C@@]1(N[C@H]1C[C@H](Cl)C1)C(=O)O	1904266667	NBAAIHMWOAZDQV-DQUBFYRCSA-N	248.710	-0.083	50	10	BBGE	
CN(C)C[C@H]1COC[C@H]1NC(=O)CCl	1906111821	YADDPBXDRSMZMF-JGVFFNPUSA-N	220.700	-0.082	50	10	BBGE	
C[C@]1(OC[C@@H]2CC[C@H](C(=O)NN)O2)CCOC1	1908719768	TUAYNRBKBAPAEA-NGZCFLSTSA-N	244.291	-0.281	50	10	BBGE	
C[C@H](CN1C(=O)CCCC1=O)C(=O)NN	1912237178	RASFFOYFKSWAGR-ZCFIWIBFSA-N	213.237	-0.849	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CC#N)C1	1915022267	GQZQKNGKQMJCEC-DTWKUNHWSA-N	226.280	-0.773	50	10	BBGE	
COC[C@@]1(CNC(=O)NN)CCCCO1	1928056743	LKRRCXBHVZBIIR-VIFPVBQESA-N	217.269	-0.255	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2	1928934431	OAYQDYZHNBGTTL-DSYKOEDSSA-N	213.237	-0.499	50	10	BBGE	
NNC(=O)CN1CC[C@H]([C@H]2CCOC2)C1	1932581638	KLTIUZACBNJDHI-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1934333958	PJSIVHZDJDMRSU-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
CC[C@H]1CN(CC(F)(F)C(=O)NN)CCO1	1935944536	MPPXEXYUEKCUNO-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NC[C@@H](O)CF)[nH]1	1937669056	MJYAHDPKYQPNQT-UHNVWZDZSA-N	249.677	-0.252	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H](C)CC(N)=O	1938362576	UQSABBFNUWFGJM-YUMQZZPRSA-N	230.312	-0.659	50	10	BBGE	
Cc1ccc(CNC(=O)C(=O)NN)c(F)c1	1938463201	CBPQOUKKNKRPIK-UHFFFAOYSA-N	225.223	-0.260	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@@H](Cl)C(=O)O)C[C@@H]21	1939088046	MHSBNUUZJUUUMJ-HRDYMLBCSA-N	248.710	-0.307	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC[C@H]1CO)CC2	1939208086	RSKSVILPIFLWKQ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CCC[C@@H](OCCO[C@H]1CCOC1)C(=O)NN	1940246787	UPVPHISGFXBGBX-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CN(Cc1cnn(C)c1)C[C@H]1C[C@@H]1C(=O)NN	1941081396	XFRIUVHREQUVTD-ZJUUUORDSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H](CO)CC1	1941090731	QKTHQTYRGKUUED-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)COCCN1C[C@@H](C2CC2)CC1=O	1941772772	NOHXVCFVLOHKSU-VIFPVBQESA-N	241.291	-0.749	50	10	BBGE	
CNC(=O)OC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	1943063336	RYMGCSGGHBSNIX-BQBZGAKWSA-N	244.295	-0.959	50	10	BBGE	
CN(C)[C@]1(C)CCN(CCOCC(=O)NN)C1	1944903736	YENACKVYPLHBQB-LLVKDONJSA-N	244.339	-0.981	50	10	BBGE	
CC(C)(CN1CC2(CC2)C[C@H]1CO)C(=O)NN	1949696625	GGDIBCGXYIUWKJ-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
O=C(c1cncs1)N1CC[C@@H](B(O)O)C1	1951320185	FSKISXPGCYMUIH-ZCFIWIBFSA-N	226.066	-0.168	50	10	BBGE	
N#CC1CN(CC(F)(F)C(=O)NN)C1	1956213556	QLOGNAWTXMKLES-UHFFFAOYSA-N	204.180	-0.933	50	10	BBGE	
C[C@@H](O)CN1CCN(C(=O)CCl)CC1	1956762076	XXFUXQXGQXKNBZ-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
O=C(NNCCO)c1ncoc1C(F)F	1958688815	NTTBBAFJKZIOMZ-UHFFFAOYSA-N	221.163	-0.161	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1959720506	NBHAIAVBUGSTQB-HXFLIBJXSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1nc(B(O)O)cs1	1961717988	ITTDCKSYJDBMBB-PHDIDXHHSA-N	230.073	-0.240	50	10	BBGE	
C=C1CC(NC(=O)c2cccc(B(O)O)c2)C1	1963749466	GYTDBDOTHMQDAR-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)C[C@@H](C)C1)C(=O)NN	1976442819	YSKJDGWQTHWFFS-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CCCC(=O)NN)C2	1978983109	ZJEKGYWBKTXQAA-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CCOCC1CN(CC(F)(F)C(=O)NN)C1	1979180027	WITVSDFJKYGWCK-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(F)(F)[C@@H]1C	1981248639	MXUGHSFVZJMZHR-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
CO[C@@H](C)CN(C)c1ccncc1B(O)O	1981427800	WLCZXYZMTVBSNB-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
CCc1nccn1-c1ncccc1B(O)O	1981465860	RUOKONHDZUWGIZ-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
CC[C@@H](COC)N(C)c1nc(B(O)O)cs1	1981471391	IXITYIBTBVQARS-ZETCQYMHSA-N	244.125	-0.316	50	10	BBGE	
CN(C)CCOC[C@H]1CC[C@H](C(=O)NN)O1	1982817834	APJCANYWGPGXBS-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](NC(=O)N(C)C)c1cc(B(O)O)cs1	1983824538	QNKXRJXTRAKBGK-LURJTMIESA-N	242.109	-0.240	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@H]1CF	1989218844	JRYBJQFSLXVYGB-WHFBIAKZSA-N	244.056	-0.633	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CCO1	1990773882	BAKMLJQQVPYFKJ-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC(F)(F)C1	1990775036	QLLYXPMMXYCBDH-UHFFFAOYSA-N	237.206	-0.921	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@]12CC2(F)F	1991326460	GYQBJDQMNGHJNP-SVRRBLITSA-N	231.007	-0.284	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](O)C1(C)C	1991462251	UMUJMXZGXLDIDL-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]21	1993438657	UVKBKTJKKZWTKA-GJVVYLMISA-N	242.662	-0.502	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(OCC(C)C)C1	1996720638	CVPHRSVZFSDXFF-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C=CCNC2)CC1	1997374552	SIESODIRIDBIDR-SNVBAGLBSA-N	235.287	-0.361	50	10	BBGE	
CC(C)(C)[C@@H]1CCN1c1ncncc1B(O)O	2004917026	SWKPACGHSSGLAV-VIFPVBQESA-N	235.096	-0.219	50	10	BBGE	
COCC(C)(C)N(C)c1ccc(B(O)O)cn1	2004919225	WEEMBIGDQUNHNW-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CCOCCCOc1ncc(C)cc1B(O)O	2004925243	OBWMUQWWMSFATA-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1ccc(Sc2ncncc2B(O)O)nn1	2004977340	ZHECKQUGLVVRQY-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
Cc1cn(-c2nc(C)nc(C)c2B(O)O)cn1	2005008434	XRYSNQTZRCMQLX-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012017938	WDWPWNPQZAGGGM-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccccc1B(O)O	2022197068	WZQPZUJOBMYKHB-UHFFFAOYSA-N	233.076	-0.152	50	10	BBGE	
COCCN(C)CC12CC(C(=O)NN)(CO1)C2	2023855554	ZHXQARFVNHOLDT-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
CCNC(=O)N1CCc2cccc(B(O)O)c2C1	2032567757	IHKIWVZSBCPLMM-UHFFFAOYSA-N	248.091	-0.546	50	10	BBGE	
Cc1nnc(CN(C)c2ccncc2B(O)O)o1	2052468228	ALCCIRKEUNEURN-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CCc1cc(B(O)O)c(F)cc1[N+](=O)[O-]	2060090467	CJTIZQUSEFNAKG-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1cc(C#N)cc(B(O)O)c1F	2060169713	RINPBCSXZDQIOH-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1cc(C#N)c([N+](=O)[O-])c(B(O)O)c1	2060304722	UJVFIJDCVDQIFP-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
C=C(CN(C)C[C@H]1CCc2nccn2C1)B(O)O	2077482757	JOAOQHOGCSAIDL-LLVKDONJSA-N	249.123	-0.055	50	10	BBGE	
O=C1CN([C@@]2(C3CC3)CCOC2)CC(=O)O1	2212241768	YZYFMKNRHXWBTR-NSHDSACASA-N	225.244	-0.059	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCOC2)c1F	2212606247	QTUITMBWRWXFHP-ZCFIWIBFSA-N	226.016	-0.899	50	10	BBGE	
CCC(F)(F)CNc1ncc(B(O)O)cn1	2212612731	NYDDQZNSEKVNTJ-UHFFFAOYSA-N	231.011	-0.386	50	10	BBGE	
C=CCN(c1ccc(B(O)O)cn1)C1CC1	2212613021	QWWQHLIDTNGOHG-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
CCN(CC1(C(=O)NN)CCC1)C1CN(C)C1	2216494168	UNKSZKDIPWMANZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CCC=C[C@@H]2CO)CCC1	2216533388	AMMVVWBCCPVSTR-SNVBAGLBSA-N	239.319	-0.231	50	10	BBGE	
C#CCCCN(C)c1nccc(B(O)O)c1F	2217180933	MEBOHVBBMCNCJS-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
Cc1cnc(O[C@H]2CN[C@@H](C)C2)cc1B(O)O	2217182252	BBVRISGHSXMARA-DTWKUNHWSA-N	236.080	-0.801	50	10	BBGE	
Cc1cnc(N[C@H]2CCO[C@H]2C)cc1B(O)O	2217184837	WYYPEZOUQQGREI-WPRPVWTQSA-N	236.080	-0.341	50	10	BBGE	
CC[C@H](CN(C)C)Oc1cc(B(O)O)ccn1	2217191978	GHBMCTUZOCKGQB-SNVBAGLBSA-N	238.096	-0.520	50	10	BBGE	
CC[C@@H]1CNC[C@@H]1Oc1ccc(B(O)O)cn1	2217193777	XJYNOWQOFZLXPK-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2C[C@H](F)C2)[nH]c1	2217204707	NQQZOZJVTLPXKB-CZMCAQCFSA-N	238.071	-0.267	50	10	BBGE	
CC(=O)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220065891	GSPDOQLQLJUGOX-GFCCVEGCSA-N	247.103	-0.223	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@H]2C2CC2)c1	2223663274	OJHOJAGQVIFMLK-PWSUYJOCSA-N	248.091	-0.719	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@@H]1CCN(C)C1	2223667896	VUIUZUCVYUHLSP-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
CCCSCCNC(=O)C#CB(O)O	2241479186	SUOKUVITBGGIBE-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC=C(F)C1	2243356080	BDLPAVWTLPOJDN-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccoc1B(O)O	2243356303	FMRHKFFBFKIXLH-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccc(B(O)O)s1	2243356912	OQXAFCLVEKCVHN-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
C=C(F)CNC(=O)c1nc(C)sc1B(O)O	2243358740	KCJJLFHRPRVJON-UHFFFAOYSA-N	244.056	-0.656	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243361888	IRJCZQDMXUKZQL-ZETCQYMHSA-N	223.037	-0.512	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C(C)(C)CCO	2243364293	UUVIUXZUNLSMQX-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
CSC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396732	QAVVKOPDWRAUKF-ACLDMZEESA-N	247.125	-0.921	50	10	BBGE	
O=C(NCCc1ccns1)C1(B(O)O)CC1	2243409737	NTXHFVKOCWJNIO-UHFFFAOYSA-N	240.093	-0.191	50	10	BBGE	
NCC1(CNC(=O)C2(B(O)O)CC2)CCC1	2243411095	NTDUELWFXCPWQX-UHFFFAOYSA-N	226.085	-0.761	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ncc[nH]1	2243411573	WLFZLSCSXWHBQY-ZCFIWIBFSA-N	223.041	-0.406	50	10	BBGE	
CC#CCNC(=O)c1sc(C)cc1B(O)O	2243414266	XEINFVBYMISNLD-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccnc(F)c1	2243684681	FJQQBMSKIJXQQS-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
CN(CCCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2243752494	JEPYKHQOEAWLNO-NKWVEPMBSA-N	229.041	-0.828	50	10	BBGE	
CN(C)NC(=O)N1CCOCC[C@H]1C(=O)O	2244009552	LIXJUVKPOTUBGZ-ZETCQYMHSA-N	231.252	-0.652	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cocc1B(O)O	2244212880	WOGUFDXQZGNOQM-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]([C@@H]2CCCO2)C1	2247739243	ZHPKLERSBWALAQ-ZJUUUORDSA-N	237.064	-0.971	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CC[C@@H]21	2247740152	GRLSEWIFAHMBNJ-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ccn(C)n1	2247756236	MYCSZJXTHWLSJQ-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C[C@@H]2O)C1)C1(B(O)O)CC1	2247757131	OMJSDYHAMCCRTQ-VGMNWLOBSA-N	239.080	-0.777	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H](O)C1)C1CC(B(O)O)C1	2247798850	XRXUAOMYCIYKMF-SEZDTBSWSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247798870	XWQQCPZZIUJVGG-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247800640	RBZJROZKOKLFER-RNFRBKRXSA-N	232.008	-0.850	50	10	BBGE	
O=C(Nc1ccccc1CO)[C@@H]1C[C@@H]1B(O)O	2247806138	MFOKZFBPQWDDFK-BDAKNGLRSA-N	235.048	-0.020	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CCOC2)C1	2247809043	XSQOSPMMIXABCL-UHFFFAOYSA-N	239.080	-0.512	50	10	BBGE	
CC(C)c1ocnc1CNC(=O)C#CB(O)O	2247851372	DXOMYEUGLLWYGI-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
COC1CC2(C1)C[C@@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2247855853	ZDAHQEMJJAMULF-MKSMHYHASA-N	239.080	-0.467	50	10	BBGE	
CC/C=C\CNC(=O)c1ccncc1B(O)O	2247873056	CXNPCMVOJPLIQU-ARJAWSKDSA-N	234.064	-0.543	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)ncn1	2247877384	ACNPBCQBMAOWTI-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(CCO)CC1CC1	2247894907	MCZCBRZWFIMKBZ-MGCOHNPYSA-N	241.096	-0.530	50	10	BBGE	
Cc1nc([C@H](C)NC(=O)[C@H]2C[C@H]2B(O)O)n[nH]1	2247895540	ARQQLVQHYLCSPK-JSKYLQRQSA-N	238.056	-0.847	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC2(CNC2)C1	2247896653	INEKYPGMZMBELV-KYZUINATSA-N	238.096	-0.939	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@H](C)CF)oc1B(O)O	2249300228	RGLKSZPIWMMZAH-SSDOTTSWSA-N	243.043	-0.302	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249408787	HOKLTKDVAIKSRO-VIFPVBQESA-N	233.032	-0.803	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2249416918	YQPBGCLPRTZTAO-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@@H](C)O)C(C)(C)C	2250602396	UPMWZBYLPNZKTJ-RKDXNWHRSA-N	247.339	-0.527	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255453987	UIUASSVKUYTZJK-JOYOIKCWSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255470332	BNGRERXIQBRFSL-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1C	2255511544	LATCSASQFFVXHL-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CCC[C@H]2C1	2255668652	CKBGMDUURHPECA-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255710031	FKWLKNQNVFDPFN-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1O	2256017679	SSXRWIPBYONIPX-QMMMGPOBSA-N	247.059	-0.834	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ncc(B(O)O)cc1C	2257486271	GONLEWMFBUYQLL-MRVPVSSYSA-N	248.091	-0.378	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ncc(B(O)O)cc1C	2257493363	BLOKJJFGIYCKAU-SNVBAGLBSA-N	248.091	-0.306	50	10	BBGE	
O=C(Nc1ccccc1O)c1cc(B(O)O)co1	2258128764	QWUIIAQILHXCTQ-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1cocc1B(O)O	2258132954	KWXPYQQRCRTHAR-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1cocc1B(O)O	2258133132	LWDVJNCOGXHHEB-YUMQZZPRSA-N	249.075	-0.265	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298368964	DQIQWUNKQVLYOM-JLIMGVALSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2COC[C@@H]21	2298371780	VOJFPOIPSMRQGL-JLIMGVALSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	2298375994	AMJMUBAPYZHTRA-SQXHDICFSA-N	239.080	-0.921	50	10	BBGE	
C#CCCOC(=O)Nc1ccccc1B(O)O	2300781140	CSZGXHZQWBLNRE-UHFFFAOYSA-N	233.032	-0.062	50	10	BBGE	
COC[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301339475	UAOKUUCHTLRXJV-MRVPVSSYSA-N	234.064	-0.315	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H](F)C1	2301344990	AOCXRJPUEHFFBB-JTQLQIEISA-N	234.039	-0.214	50	10	BBGE	
O=Cc1ccc(N2CC[C@H]3C[C@H]32)cc1B(O)O	2301422064	CTDVCFCSJWOADG-QPUJVOFHSA-N	231.060	-0.223	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2302050490	QRDRBTLWUIDIST-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	2303425772	GSQWHQUGMCBOKY-MWGHHZFTSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)ncc1F	2320792376	DLUJDDSMGTXKMH-VKQNFRTPSA-N	248.066	-0.033	50	10	BBGE	
CC1CCN(S(=O)(=O)CCC(=O)NN)CC1	26468156	XYNUIOZSJBGXRR-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
NC(=O)NCCSS(=O)(=O)O	32139762	MCLVHMSGEQDKGJ-UHFFFAOYSA-N	200.241	-0.809	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCN1)c1cccnc1	49826401	LKYBMAXXXLQNSY-SECBINFHSA-N	234.259	-0.405	50	10	BBGE	
C[C@@H]1CN(C(=O)CCC(=O)NN)C[C@@H](C)O1	58854045	DAQGYWYVYXBGGT-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
O=CC1=CN=C2C(C(=O)O)=NC=CN2C1	74204136	KYRBSYLZOTWZCX-UHFFFAOYSA-N	205.173	-0.206	50	10	BBGE	
CCN(C[C@@H]1CCCO1)[C@@H](C)C(=O)NN	82469632	NXWBLTFIKCULRX-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(C)(C)O	86275155	CJIIPTMNVNQXHH-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
COCn1cnc2c1N=CN/C2=C(/C#N)C(N)=O	105647798	GSGKJZXUYPWDEY-SREVYHEPSA-N	246.230	-0.530	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@H]1C(N)=O	129321212	WUEPFSOYKIFWDF-WDSKDSINSA-N	220.656	-0.674	50	10	BBGE	
COC1(OC)CO[C@H]2[C@@H]1NC[C@H]2Cl	147328641	YZKRNJJJRBSVFQ-QYNIQEEDSA-N	207.657	-0.047	50	10	BBGE	
COCCCNCc1ccc(B(O)O)s1	203614108	ZHTHWPFFFNMYKQ-UHFFFAOYSA-N	229.110	-0.446	50	10	BBGE	
CCN(CC)C1=NC(=O)[C@H](Cl)C(=O)N1	207898660	CJROUIAVOMBTQG-UHFFFAOYSA-N	217.656	-0.052	50	10	BBGE	
COC[C@@H](Oc1cnn(C(C)C)c1)C(=O)NN	232418723	MFWDOHWDMIRCBM-SECBINFHSA-N	242.279	-0.152	50	10	BBGE	
CC(C)NNC(=O)CC[C@H](N)C(=O)O	238196725	XLVDZJFGPTUTTC-LURJTMIESA-N	203.242	-0.792	50	10	BBGE	
CCC(=O)N[C@@H]1CSC[C@@]1(O)C#N	238212768	ISUGWPJXXGFBFM-SVRRBLITSA-N	200.263	-0.117	50	10	BBGE	
O[B-](O)(O)c1cccc(-c2ccccn2)n1	238855178	QRVGVUFKPYBCOG-UHFFFAOYSA-N	217.013	-0.734	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1[C@H](C)C(=O)NN	251687287	IGFZARUNBVSLSG-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CCOC(=O)C(=NO)C(C)=NNC(C)=O	252637452	XTMPHQKXTZYSCY-UHFFFAOYSA-N	215.209	-0.108	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2oc(=O)[nH]c2c1	258970195	IALDWWLKSDGUQM-ZCFIWIBFSA-N	236.231	-0.499	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2CCC[C@@H](C2)C1=O	300919201	ZHIZGHAWFSCPOR-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
NC(=O)N/N=C1/CCO[C@@H](C(=O)O)C1	307294707	NPCSDLAAQDPUBG-BZISYQFCSA-N	201.182	-0.726	50	10	BBGE	
O=[N+]([O-])c1cccc2nc(B(O)O)oc12	396102148	IHDODILMQJSBPY-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
N#Cc1cccc2c(CO)c(B(O)O)sc12	396224951	PVHOFQCVGWKMAG-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cc2c(O)c(B(O)O)ccc2s1	396379212	IMUPIHLLIBSNFQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(CCF)CC1	402779695	NELSYQPCILVXQD-JTQLQIEISA-N	246.330	-0.268	50	10	BBGE	
COCC(=O)Nc1cc(B(O)O)ccc1C	404991029	UFGOZDORRAKBET-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)s1	405064923	UHHIRZNXASJFGD-HTRCEHHLSA-N	239.105	-0.300	50	10	BBGE	
Cc1cc(NC(=O)NC2CC2)ccc1B(O)O	405132191	HCCBURJXCIQEFI-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
CNC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405151429	RSDGDAMEIWEZQV-SSDOTTSWSA-N	222.053	-0.644	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)cc1F	405190955	VHKMZLYWAMZQBW-HNNXBMFYSA-N	231.057	-0.399	50	10	BBGE	
NNC(=O)C[S@@](=O)Cc1ccc(C(=O)O)o1	526895947	DVCZKDHNVQHZAV-INIZCTEOSA-N	246.244	-0.784	50	10	BBGE	
NC(=O)C(=O)Oc1ccc([N+](=O)[O-])cc1	687806493	MWXJNQNIPDLDEV-UHFFFAOYSA-N	210.145	-0.015	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	688028033	WNTASIMXGDVFBY-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H]1CCN(C)C1	693435767	HQPNGIVCQDIYCY-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1ccn(CCC(F)(F)F)n1	694270957	OPYZUESCTRVLLW-UHFFFAOYSA-N	207.948	-0.485	50	10	BBGE	
NNC(=O)CN1CC(N2CCCCC2)C1	697752565	YSWYUCURJWHSBI-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
COCC[C@@H](C)C(=O)NNC(N)=S	700865411	HWGVFLLPVMQMAZ-RXMQYKEDSA-N	205.283	-0.477	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCSC1	704871300	CJEQIHDSNCCJNP-ZCFIWIBFSA-N	217.294	-0.764	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](C(F)F)C1	707180476	VKDYGXUUBRJLBU-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
CN(Cc1nnnn1C)c1nnc(CCl)o1	707503988	DXHQHAAQNCHIPQ-UHFFFAOYSA-N	243.658	-0.032	50	10	BBGE	
CC(C)NC(=O)N1Cc2ccc(B(O)O)cc2C1	707983479	GCRUTRPUGMSJNB-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
OB(O)c1cccc(OCC[C@H]2CO2)c1	718545556	XYSQZWVFYPCQMR-JTQLQIEISA-N	208.022	-0.466	50	10	BBGE	
NNC(=O)C(=O)NCc1ncc(Cl)s1	719396956	NMBUYFYTICYCJV-UHFFFAOYSA-N	234.668	-0.597	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCO[C@H](C)C1	721484314	PTODORVNFKJTMW-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
COc1ccc(O)cc1C(=O)NNC(=O)CO	781967731	FYXKGKQCOZPMET-UHFFFAOYSA-N	240.215	-0.846	50	10	BBGE	
CCN1CC(CN(C)[C@@H](C)C(=O)NN)C1	822038083	ZHXCYEBRQBYSND-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
C=C(C)C[C@@H](CO)NCc1ccccc1B(O)O	895713484	PFOLGJBOSVMWEY-LBPRGKRZSA-N	249.119	-0.217	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCC(=O)NC1	1140545068	NQZBAOKAKIENRI-MRVPVSSYSA-N	229.280	-0.878	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C1=C[S@@](=O)CCC1	1163323859	WELDZGCKZQPYFN-PWJLMRLQSA-N	246.332	-0.243	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)Nc2nn[nH]n2)cn1	1293901015	RQKRIVFAJJEFGW-UQCOIBPSSA-N	244.218	-0.521	50	10	BBGE	
OB(O)c1ccc(-c2cncs2)nc1	1616186927	KUBJGHIXZFMALB-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
NCC1(O)CN(C[C@@H]2C[C@@H]2Br)C1	1877446534	MUXXIEFVLYMHGD-BQBZGAKWSA-N	235.125	-0.225	50	10	BBGE	
CO[C@H]1COC[C@H]1NS(=O)(=O)CCl	1881949970	AITNUXUSZFODRB-RITPCOANSA-N	229.685	-0.484	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC([C@H](O)CO)C1	1887280980	KCRSDOCHWKOBLZ-HTRCEHHLSA-N	221.684	-0.327	50	10	BBGE	
C[C@H](S)[C@@H](C)C(=O)NN(C)S(C)(=O)=O	1888555160	VJDYUCVBMCRTQU-RITPCOANSA-N	240.350	-0.137	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@@H]2C[C@H]2Cl)N1	1893098482	ITQBHXBZDBISJO-XLPZGREQSA-N	238.740	-0.105	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1Cl)S(N)(=O)=O	1893470762	WKMOYRPJNOADKX-HSUXUTPPSA-N	240.712	-0.593	50	10	BBGE	
C=CC1(NC(=O)/C=C/C(=O)Cl)CNC1	1893504962	PAXWJFUKMPDZAI-ONEGZZNKSA-N	214.652	-0.048	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@@H](C)CC(=O)NN	1895543263	OBFNBEKVBUSLKG-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)C=CC(=O)Cl)C[C@H]1O	1897219447	MZSSRIBSTSIATI-BWZBUEFSSA-N	247.678	-0.038	50	10	BBGE	
C#C[C@H]1N(C(=O)C2(B(O)O)CC2)CC1(C)C	1899888588	OFGMFMOTZVOFCE-MRVPVSSYSA-N	221.065	-0.136	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@@H](F)C1	1900454668	NDXXUFKGZDHARO-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@]12C[C@@H]2N	1901377234	LOQHNSRMARFEAJ-ACLDMZEESA-N	247.320	-0.964	50	10	BBGE	
C#Cc1ccccc1NC(=O)C#CB(O)O	1901511409	YAJOXFDAVSRHJN-UHFFFAOYSA-N	213.001	-0.378	50	10	BBGE	
C[C@@H]1CN(Cc2nc(B(O)O)cs2)C[C@@H]1C	1902636725	BKQHMRBSALZQNR-OCAPTIKFSA-N	240.137	-0.089	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@@H]1C[C@@H]1F	1907455615	LSWMCPGHWPOJHF-BDAKNGLRSA-N	237.039	-0.029	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1C[C@@H]1[N+](=O)[O-]	1923195759	KTVRXCCDHCSWOK-HRFVKAFMSA-N	241.125	-0.639	50	10	BBGE	
COCc1noc(CN2CC(=O)OC(=O)C2)n1	1926328690	BTKDCDOSMVGQRK-UHFFFAOYSA-N	241.203	-0.899	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCOC1	1927913804	NFHUDBHIYZUSFE-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@]2(CCCO2)C1	1928031927	CVQDSAAVKIRENR-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
Cn1ccnc1SCCOCC(=O)NN	1928180554	CAVMDZLXGMIKEB-UHFFFAOYSA-N	230.293	-0.481	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1COC[C@@H]1CO	1928736306	UERWNLPGKSFXLA-LYFYHCNISA-N	207.657	-0.263	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]1CO	1929742857	ZQIUDOOTYRHRNH-HTQZYQBOSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](Oc1cnccc1C)C(=O)NN	1935646846	CFLRLYXDEIKDNL-VIFPVBQESA-N	225.248	-0.226	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]1CCO	1936094365	MMRRTARROQMUHP-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
CC(C)N(CCOCC(=O)NN)C[C@H](C)O	1936531769	UYSPAEZRGNLROK-VIFPVBQESA-N	233.312	-0.916	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CCl)[C@@H]1COCCO1	1937180146	DHEVLZZPNYODOT-YIZRAAEISA-N	249.694	-0.228	50	10	BBGE	
COCC[C@H]1CCCN(C(=O)C(=O)NN)C1	1937990877	HNDAHGKSHRHXGV-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@]21C	1940012009	GZJVPWHHUWBLHA-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
C[C@]1(O)CCNC[C@@H]1N1CCC(O)(C#N)CC1	1942973197	BTSMAOMGFZGSSA-QWRGUYRKSA-N	239.319	-0.550	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)[C@@H](C2CC2)C1	1943084039	VKHLTXCOVXKMGR-HTQZYQBOSA-N	249.261	-0.686	50	10	BBGE	
COCC1(CCNC(=O)C(=O)NN)CCCC1	1945414618	FRIWCWMHINESBQ-UHFFFAOYSA-N	243.307	-0.311	50	10	BBGE	
OC[C@@]1(O)CCN(C[C@@H](O)CCl)C1	1954821813	FKULEILEJURAKA-JGVFFNPUSA-N	209.673	-0.985	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CCC(=O)NN	1955062097	FAWPZXBPZDNHOQ-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550111	VDVWPJXSMPLXIJ-SYHAXYEDSA-N	221.684	-0.988	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CO[C@H](C)C1	1958050403	GDAGJLDXGPAORT-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](CCl)CN1CCN(CC(N)=O)CC1	1960156063	NWUIXRNZBCKZBY-VIFPVBQESA-N	233.743	-0.036	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC12COC2	1961512484	GLWZRHVKJSSOIV-YUMQZZPRSA-N	211.265	-0.913	50	10	BBGE	
OB(O)c1cnc(N2CC(F)C2)c(Cl)c1	1961717955	IJFRNKQEGSZNRJ-UHFFFAOYSA-N	230.435	-0.427	50	10	BBGE	
CCCOC[C@@H]1CCCN1C(=O)C(=O)NN	1976170501	RVQSCYAYNNSWDX-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
COC(=O)[C@H](Cl)CNCCc1cn(C)nn1	1978594806	IPVZQQBYMWSKNH-MRVPVSSYSA-N	246.698	-0.272	50	10	BBGE	
C[S@](=O)CC1CN(CC(C)(C)C(=O)NN)C1	1979481258	YXWJKKPJOPUHIP-INIZCTEOSA-N	247.364	-0.687	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCO)[C@H]1C[C@H]1C	1979614823	AETMEWYRWKDQOS-IMSYWVGJSA-N	229.324	-0.296	50	10	BBGE	
Cc1ncnc(OC2CCCC2)c1B(O)O	1981423325	BYKABKMDDMWYBF-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H](C)[C@@H]1C	1981470571	BZIAYIYTSMDGTA-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@H]1C[C@H]1C(=O)NN	1982383127	MYDZRFOLXNIFEL-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(F)(CO)C1	1984127985	IBCXYPIFQKZZEY-UHFFFAOYSA-N	241.213	-0.982	50	10	BBGE	
CN([C@H]1C[C@H](O)C1)[C@@H](C(=O)NN)C(C)(C)C	1984462901	UNRJIRITKNDORK-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCn1ccc(B(O)O)n1	1991152918	UVHRTEUIWRLWFH-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
O=C1NCC[C@H]1CN=c1[nH]nc(CCCl)o1	1991281986	IINYHDSYUSCAOC-LURJTMIESA-N	244.682	-0.179	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCC=CB(O)O)CCO1	1991328409	FIINWCGEMBDTBX-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
CO[C@H]1C[C@H](CN)N(C(=O)C=CC(=O)Cl)C1	1991650226	LRYBJOOYFCOLMR-SFYZADRCSA-N	246.694	-0.117	50	10	BBGE	
O=C(N[C@]1(C(=O)O)CCCNC1)[C@@H]1C[C@@H]1Cl	1991679082	IYQFIYLXGKIVKC-MATHAZKKSA-N	246.694	-0.063	50	10	BBGE	
C=C(CN1C[C@@H](OC)C[C@@H](OC)C1)B(O)O	1992167657	OCSQXBQASHOWRJ-AOOOYVTPSA-N	229.085	-0.710	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1CC[C@H](F)C1	1998136026	WERVRZNDHFEERT-DSYKOEDSSA-N	247.031	-0.833	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999849077	XIPUSTRWFFPRBG-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)CCOCC(=O)NN)C1	2001533728	BHIDAGCCBIMGCM-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCCNC(=O)C1CN(CCCC(=O)NN)C1	2002654684	VPBFXSWUWDVORR-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC(C)OCCN(C)c1ncncc1B(O)O	2004914568	QALXQLVZMNCWLC-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@@H]2C1	2004919706	CDJMBSSQDAFWAQ-RKDXNWHRSA-N	233.080	-0.607	50	10	BBGE	
CN(Cc1ccoc1)c1ncncc1B(O)O	2004921608	XYGBQHGUNUAULA-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CN(Cc1cocn1)c1ncccc1B(O)O	2004934900	UJVIZRVOOIGULD-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
Cc1ccc(B(O)O)c(Sc2nccn2C)n1	2004991545	SEYZMUFJIXKNCT-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CCCN(c1nc(C)ncc1B(O)O)C1CC1	2005014642	OEOGANFIRSOBEF-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@H](CCO)C1	2005060728	MUXOQPUKMCIEBO-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CN1C[C@H](O)C2(CCCC2)C1)C(=O)NN	2006026194	XNMWMRULLXCEND-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(F)cc1O	2021156680	BAUMDOBMDPURGV-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
C=C(CN(C)Cc1cc(CC)nn1C)B(O)O	2021163460	UFFLPUFIFSYCCW-UHFFFAOYSA-N	237.112	-0.018	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2C[C@@H]21	2022196215	JBKAOKMDUPTJTP-KWQFWETISA-N	231.060	-0.399	50	10	BBGE	
CC1(C)CC(C(=O)Nc2ncc(B(O)O)cn2)C1	2040767763	XAGLDNJZOOKXCI-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CCO[C@H]3C2)c1	2052033379	HSHIBBCTTJGUMX-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
Cc1nc(N2C[C@H]3CCO[C@H]3C2)ccc1B(O)O	2052620219	QEDHUNIOXGGXRJ-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@@H]2CCO[C@H]21	2056375696	NUTWOVGCEDQGTH-HBNTYKKESA-N	247.059	-0.660	50	10	BBGE	
CCc1cc(F)c(B(O)O)c([N+](=O)[O-])c1	2060089453	FEJFKBWQBUAXNR-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CN1C[C@H](Cl)[C@H](N=c2[nH]ncn2C)C1	2209804521	FOLPDYTYCMKIRI-NKWVEPMBSA-N	215.688	-0.430	50	10	BBGE	
CN1CCC[C@@H]1COC[C@H]1C[C@@H]1C(=O)NN	2211854877	TUUSTQDOVNRUSM-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CNC[C@H](C)CNc1cc(B(O)O)ccn1	2212602585	GTRONEQSBAUZAI-QMMMGPOBSA-N	223.085	-0.971	50	10	BBGE	
Cn1cc(Oc2ncccc2B(O)O)cn1	2212604866	SWQFQCHQKUIUCF-UHFFFAOYSA-N	219.009	-0.713	50	10	BBGE	
NNC(=O)c1cc(CS[C@@H]2CCNC2)on1	2212648528	XRPOKLGJPARKQI-SSDOTTSWSA-N	242.304	-0.127	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@@H]1CC[C@@H]1C(=O)NN	2215776234	LPNFSDVWNXEEAZ-NAKRPEOUSA-N	238.335	-0.609	50	10	BBGE	
CC(C)C[C@@H](N)CNc1cc(B(O)O)ccn1	2217175027	CCXZITMSEZKYCN-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
C#CC[C@H](Nc1ncc(B(O)O)cn1)C1CC1	2217175520	JWKRAGPRMLUGLZ-JTQLQIEISA-N	231.064	-0.630	50	10	BBGE	
COCC(C)(C)CNc1ncc(B(O)O)cn1	2217178921	CJBWZQIBHUAHLR-UHFFFAOYSA-N	239.084	-0.759	50	10	BBGE	
C[C@@]1(Nc2nccc(B(O)O)c2F)CCNC1	2217179291	JASAXCCDQBGTEG-SNVBAGLBSA-N	239.059	-0.936	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@]3(C)C2)cc1B(O)O	2217180598	IMKQZFUDOMUUMQ-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
C[C@@]1(COc2ncccc2B(O)O)CCCN1	2217181782	UZYVBMLAMXMZRS-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
Cc1cnc(N(C)CC(C)(C)N)cc1B(O)O	2217183356	HWDAXNYORXOXQG-UHFFFAOYSA-N	237.112	-0.757	50	10	BBGE	
OC[C@@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220067831	ALLXOVIQXZXCAJ-AAEUAGOBSA-N	247.103	-0.819	50	10	BBGE	
OB(O)c1ccnc(-n2ccc(C3CC3)n2)c1F	2223610089	LWNUBNXQEZSFPE-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1c1ncccc1B(O)O	2223632379	IZBMHOCEKWYAIU-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
CC1(C)CCN[C@@H]1CNc1ncccc1B(O)O	2223635712	ASODLTNFMSWSSL-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@]1(C)CN	2223638411	KSCFURMTPFZGRR-BXKDBHETSA-N	249.123	-0.818	50	10	BBGE	
Cc1cnc(N2CC[C@@](C)(C#N)C2)cc1B(O)O	2223641935	XKKQEWJCZZAAOE-LBPRGKRZSA-N	245.091	-0.190	50	10	BBGE	
Cc1cnc(NC[C@@]23COC[C@@H]2C3)cc1B(O)O	2223642318	ZSULOGVJPNDDPS-CABZTGNLSA-N	248.091	-0.482	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@@]21COc1ccc(B(O)O)cn1	2223652202	CTNBZRACJITGJB-MKPLZMMCSA-N	248.091	-0.732	50	10	BBGE	
Cc1cnc(N2C[C@H](N)C(C)(C)C2)cc1B(O)O	2223654163	XTSQJYWWNAEFQH-JTQLQIEISA-N	249.123	-0.757	50	10	BBGE	
Cc1cnc(N2CCCNCCC2)cc1B(O)O	2223654243	YTBOBCYPLGNOAS-UHFFFAOYSA-N	249.123	-0.740	50	10	BBGE	
C=C[C@@]1(Oc2cc(B(O)O)ccn2)CCCNC1	2223663150	NPMXRVQAOFRPEN-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CN2CCC1CC2	2223665822	IQWFQNTZLWHMBM-NSHDSACASA-N	247.107	-0.733	50	10	BBGE	
N[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C12CCC2	2223670080	SHRIMQBOONSCGE-NXEZZACHSA-N	247.107	-0.557	50	10	BBGE	
Cc1cnc([C@H](C)NC(=O)C#CB(O)O)s1	2243349807	QULWQVYSRKZTHG-ZETCQYMHSA-N	238.077	-0.356	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccsc1B(O)O	2243359104	OTXOPHHHYACFPY-YFKPBYRVSA-N	247.031	-0.435	50	10	BBGE	
COC(=O)C[C@@H](C)NC(=O)C1(B(O)O)CC1	2243364714	BFCDYNAGCMAUQK-ZCFIWIBFSA-N	229.041	-0.939	50	10	BBGE	
Cc1conc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396327	KVNNVXSDDCVNPU-BQBZGAKWSA-N	224.025	-0.538	50	10	BBGE	
CCC=CCNC(=O)c1occc1B(O)O	2243398141	NFHOYGKOYIXLJZ-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCON(CCN)C(=O)C1(B(O)O)CCC1	2243398928	VKFANOHPPXDJTB-UHFFFAOYSA-N	230.073	-0.878	50	10	BBGE	
O=C(NCCOC1CC1)C1CC(B(O)O)C1	2243405067	YYKMKMUIRSCRSL-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
C=C(Cl)CNC(=O)c1cc(B(O)O)cn1C	2243408161	IGAOIKZNKUVFDZ-UHFFFAOYSA-N	242.471	-0.813	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CC2)co1	2243410498	CGYMCVVSRDHDTJ-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
CN(CC1COC1)C(=O)C1(B(O)O)CCC1	2243968244	KMPJMSOBEVHDGY-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1coc(B(O)O)c1	2247732406	FFBBLKSLUCZTHX-KCJUWKMLSA-N	235.048	-0.368	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)c1ccccc1	2247740684	NZPRKVAMPUOQOZ-SNVBAGLBSA-N	231.060	-0.078	50	10	BBGE	
O=C(N[C@H]1CC12CCNCC2)C1(B(O)O)CC1	2247750336	HVQMGKWATFHTCH-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C(=O)C1(B(O)O)CCC1	2247753298	FCPNGTBQJPKBKJ-SSDOTTSWSA-N	242.084	-0.894	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccc(B(O)O)cc1F	2247759595	TXINMMMBZGDLBY-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1B(O)O	2247759819	XDHPRNPMPXRNFL-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
NC[C@@H]1C[C@@H](F)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247793685	ZIXOHEILOQORNA-XAVMHZPKSA-N	244.075	-0.863	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247804328	GJJBVGJBNMASCX-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804519	HCFOFMDSJZGBDL-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247807939	JJEPJUYNIMZKCB-TURQNECASA-N	238.096	-0.811	50	10	BBGE	
Cc1ccnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247810466	XOWIDHXMGZPVBY-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]2C[C@@H]21	2247847700	ANXPAANYFIEJBD-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
C[C@H](N)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2247874758	TVYUCAQBOWGPJP-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
CCCN(C)C(=O)c1nccc(C)c1B(O)O	2247890399	LWLMGJVTNZKANX-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2C[C@H]2C)c1B(O)O	2247890606	PZSUZVJTNNUYMS-SFYZADRCSA-N	234.064	-0.792	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247894191	DEEZJBPDIMJGDX-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899462	NMERESSPOCMWTI-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C#CC(=O)N1CCCc2ccc(B(O)O)cc21	2248430134	VEBIXQJSSVEMHK-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CCCN(C(=O)c1cc(B(O)O)co1)C1CC1	2249419768	LCUHQSHJFVMFFL-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1ccoc1B(O)O	2255464915	CMVDTUVPBPLBTH-HTQZYQBOSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1n[nH]cc1B(O)O	2255546407	FDIMZXNHUWGYBC-OOZYFLPDSA-N	249.079	-0.992	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1c[nH]nc1B(O)O	2255567991	HXFSOFJOPOYRCI-SECBINFHSA-N	249.079	-0.874	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@@H]21	2255710425	KJIVCSJXAVDWBL-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCC1=O	2255735596	WMYPZBCWELQOSC-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1CC2(CC2)C1	2255743416	OAGKXCQZALSMHM-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255747548	MUKSREAZYHZEQV-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
CC/C=C\CNC(=O)c1nccc(C)c1B(O)O	2255780232	SHKKDDPPFVYSEL-PLNGDYQASA-N	248.091	-0.234	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@H](C)C1	2257487130	KYPNZDJVGCHUHZ-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
Cc1nc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2B(O)O)n[nH]1	2298368873	ARQQLVQHYLCSPK-QXRNQMCJSA-N	238.056	-0.847	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300201464	PMARXNZXAXPIGY-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2CC1C2	2301345281	DGYAPULXNLFZCR-UHFFFAOYSA-N	228.060	-0.163	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC/C=C/CN	2301347167	YEZXMAPPJSFJAP-OWOJBTEDSA-N	232.048	-0.868	50	10	BBGE	
CC(C)NC(=O)c1cc(F)c(B(O)O)cc1O	2301393903	ZQPCRLIBLSAIGL-UHFFFAOYSA-N	241.027	-0.651	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(B(O)O)cc1C	2301585916	OCDOKKDTRRGJRK-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2CC(=O)NNC(C)=O	2302202504	AIPCPGPZIPLULP-LPEHRKFASA-N	241.291	-0.737	50	10	BBGE	
CN(C[C@H]1CCO1)c1ncc(B(O)O)cc1F	2302412302	HZTOSYLVYSUSGL-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
Cc1ccnc(OCC2[C@H]3COC[C@H]23)c1B(O)O	2318950997	DQRPHFUFNASCFY-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
CCC#CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2319241863	ZEONQLJTYYLDKU-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CC[C@H]2NC3)nc1	2325307311	ATWQFDRBZLVJOJ-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
NC(N)=NNC(=O)COc1ccccc1	39186136	URIGRFSOHCBIPS-UHFFFAOYSA-N	208.221	-0.630	50	10	BBGE	
COC(=O)CNC(=O)CNC(=O)[C@@H](C)Cl	41726852	WCZPIHUEHUBVOY-RXMQYKEDSA-N	236.655	-0.981	50	10	BBGE	
CN(C)C1CCN(CCCC(=O)NN)CC1	82467667	RSSCQNZYMJVKDK-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C)[C@@H](C)C(=O)NN	86313544	BVEZLIMJVIVPSM-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CCN1C	86597995	AFHIGYCIBBLZQP-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CCOCCN(C)[C@@H](C)CC(=O)NN	87979997	OUQCFFHEFWKGKR-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)CO	125432362	CYRDGOKPPOFMHP-JGVFFNPUSA-N	203.286	-0.687	50	10	BBGE	
COCCNC(=O)[C@@H](C)NC(=O)[C@H](C)Cl	161794962	YVBSYIYCXMMZFB-NKWVEPMBSA-N	236.699	-0.119	50	10	BBGE	
COc1ccnc(NNC(=O)[C@@H](C)[C@@H](C)N)n1	192003443	KDPPSKBMXBPGNH-NKWVEPMBSA-N	239.279	-0.088	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@@H]1CCOC1	211148881	VYIMVCFDISVQOT-LLVKDONJSA-N	235.092	-0.413	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)C1(C)C	212114975	NODGGGKXABLDGJ-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)ncc1O	238616427	TZOORXWUANWQRP-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CN1C(=O)Cc2cc(CC(=O)NN)ccc21	259054201	VTCHYIYFWIUFQN-UHFFFAOYSA-N	219.244	-0.262	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	306757761	SXRSKRAMWWMYNA-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
CCC(=O)NNC(=O)c1nccnc1N	308805485	AUWKOURESWDFCY-UHFFFAOYSA-N	209.209	-0.770	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)[C@H]1CCNC1	309365184	OANOHSSKUPVCBC-VIFPVBQESA-N	219.049	-0.841	50	10	BBGE	
CC(=O)OC/C=C\c1ccccc1B(O)O	385582417	UBELJTUSACGKMZ-XQRVVYSFSA-N	220.033	-0.057	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C[C@@H](C)C(=O)NN	385731510	AOMZKGYWLVAUQQ-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1CC(=O)NN	388686091	ITKQSGKAUWWRDC-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CCCOC[C@H](O)C(C)=NNC(N)=O	389050683	WIQGSJGWLGPTEN-ZETCQYMHSA-N	203.242	-0.182	50	10	BBGE	
NCCC(=O)NNC(=O)c1ccccc1O	390183941	KTRNGSFZOAIMEK-UHFFFAOYSA-N	223.232	-0.498	50	10	BBGE	
O=CCCc1cc(S)ccc1B(O)O	396031294	KCCVKFZRJKBUEL-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CO[C@H](C)C1)C(=O)NN	401509838	HVIBKMUPXNWOQK-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)c(F)c1	404915168	DUGGUWCYWOOMIR-HNNXBMFYSA-N	231.057	-0.399	50	10	BBGE	
Cn1cncc1C(=O)Nc1ccccc1B(O)O	404936281	IGZUEJDITMUIFM-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@@H]1COCC[C@H]1NCc1ccccc1B(O)O	585037825	KZYCUAVJDDNYCH-ZWNOBZJWSA-N	249.119	-0.119	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)[C@H](C)C(=O)NN	687462405	PRSNTOQLMZSQNG-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(C)(CO)CO	689878707	YUDMNEVUTYXOFW-VIFPVBQESA-N	247.339	-0.932	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690153956	AOSBCYWCCGOYIO-UWVGGRQHSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CN1CC[C@@H]2COC[C@@H]2C1)C(=O)NN	690723919	QCNOOCQEIJUDLJ-BBBLOLIVSA-N	227.308	-0.419	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(N2CCCC2)C1	700521689	AOXDLGYXXCOMOK-LLVKDONJSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CCCO3)C2)cc1	705764728	GGJSRSSSYFSRLS-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1C1CC1	706684298	WZAGVJYTPDYGCJ-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
CN(CCOCCCl)Cc1nnnn1C	707671820	OOWZAMBRMCOAGX-UHFFFAOYSA-N	233.703	-0.103	50	10	BBGE	
CN(Cc1nnnn1C)[C@H]1COC[C@@H]1Cl	709149229	FVWBVROUMATXAJ-BQBZGAKWSA-N	231.687	-0.352	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCS[C@H](CO)C1	720074017	KBZFSBODOFIBHH-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
COCC1(C(=O)NNC(=O)[C@H]2CCCO2)CC1	817214059	TXQOMLAEUPYQHE-MRVPVSSYSA-N	242.275	-0.261	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CC[C@@H](OC)C1	823424961	IFSLCOOSMDYCKK-NKWVEPMBSA-N	215.253	-0.238	50	10	BBGE	
O=C(Nn1cccn1)c1cc(B(O)O)ccc1F	1166675003	PGOGYJOEPNVVPG-UHFFFAOYSA-N	249.010	-0.914	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1nncc(N)c1Cl	1629748575	FADHZMNJJXIZEQ-YFKPBYRVSA-N	243.654	-0.298	50	10	BBGE	
C=C(CO)C(=O)NCCSS(C)(=O)=O	1632958252	ZRFDCVBAQNTHMM-UHFFFAOYSA-N	239.318	-0.656	50	10	BBGE	
O=C(CBr)N1CCNCC1=O	1866333356	HJTDYPFBCDXLBJ-UHFFFAOYSA-N	221.054	-0.660	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1CC[C@H]1O	1878007916	FAPZGTUHQXWWTP-NKWVEPMBSA-N	227.713	-0.085	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]2Br)C(=O)CN1	1883527566	GTDXWTOUYLBKNH-WDSKDSINSA-N	247.092	-0.272	50	10	BBGE	
COC[C@@]1(F)CCN(CC(=O)NN)C1	1885377912	HXTNIZZADGAKSY-MRVPVSSYSA-N	205.233	-0.963	50	10	BBGE	
O=C1NCC2(CN(C[C@H]3C[C@@H]3Cl)C2)N1	1893108058	PZHAPTSDIXNITN-RQJHMYQMSA-N	215.684	-0.019	50	10	BBGE	
NOCCCS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1893118834	KJBGVFLALRJJNZ-BQBZGAKWSA-N	242.728	-0.187	50	10	BBGE	
NNC(=O)CO[C@@H]1COC2(CCC2)C1	1893793709	NXFRSNQOVUNARA-ZETCQYMHSA-N	200.238	-0.296	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@H]1C(F)(F)F	1896192101	MNAPLVUVIOAHJK-RFZPGFLSSA-N	239.197	-0.319	50	10	BBGE	
CS[C@@H](C)C(=O)Nc1ccnc(B(O)O)c1	1899673205	GMIHCRHOSVTZPE-LURJTMIESA-N	240.093	-0.549	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@](C)(N)C1CC1	1901374368	DCFLOFZLQZYTFE-SECBINFHSA-N	249.336	-0.574	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1[C@@H]2COC[C@@H]21	1902165756	OSASIYUIZCYUCO-CVPUBMOQSA-N	226.276	-0.479	50	10	BBGE	
CC[C@@](C)(CN1CC=C[C@@H]1CO)C(=O)NN	1902715223	FOCKCAYGALGXFM-KOLCDFICSA-N	227.308	-0.375	50	10	BBGE	
OB(O)c1cc(=NCCC(F)F)[nH]cc1F	1903006919	ZSICWKJEBWUUCL-UHFFFAOYSA-N	233.986	-0.611	50	10	BBGE	
C#CC[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903010207	NBHUTTQCGJFYHN-SSDOTTSWSA-N	222.028	-0.276	50	10	BBGE	
N[C@@H]1COCC[C@]1(NC1CC(Cl)C1)C(=O)O	1904186590	NBAAIHMWOAZDQV-CJXRSZHYSA-N	248.710	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21	1909089583	YYMWQFWGKHPBHH-YKXXYHOCSA-N	239.319	-0.138	50	10	BBGE	
Cc1cc(=O)n(C[C@@H](C)C(=O)NN)c(C)n1	1912236574	AAMSJLPBYJZWQO-ZCFIWIBFSA-N	224.264	-0.514	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1(CO)CCC1	1915005100	SLOGACLHGGMTBF-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CON1CCN([C@H](CC(C)C)C(=O)NN)CC1	1915714009	PVKIMGQXYISALQ-SNVBAGLBSA-N	244.339	-0.430	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043266	OJYPNSIECUPELO-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
CC1(C)C[C@H](O)CN(CCCC(=O)NN)C1	1923155744	RMGHVWOVIRSIMU-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1NC(=O)C(=O)NN	1927830532	XKXPEGOWOOJDTI-XUTVFYLZSA-N	211.265	-0.473	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)[C@H]1C	1928179247	NYSDTJLONQVHCM-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
O=C(Cn1cnnn1)NC1(CCl)CC1	1928697112	VXJLAEBHGXTBRK-UHFFFAOYSA-N	215.644	-0.439	50	10	BBGE	
N#C[C@H]1CCCN(CCC(=O)NN)CC1	1928982617	MFVAZVDAZWOCCK-VIFPVBQESA-N	210.281	-0.008	50	10	BBGE	
C[C@@H](O)CCN(C)CC1(C(=O)NN)CC1	1931265773	VFTOSECLNXDXPM-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COC[C@@H]1CCl	1937178666	BWINQODLWBOURS-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1	1940886850	GMEAHKVVIKINAW-BIIVOSGPSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)CCN1CCC2(CCC(=O)N2)CC1	1941671678	MYSGWRNNSMLDIB-UHFFFAOYSA-N	240.307	-0.889	50	10	BBGE	
CC[C@@H]1C[C@@H](C(=O)O)[C@H](C(=O)NNCCO)C1	1944215938	PBIXSFMYUMJGSC-DJLDLDEBSA-N	244.291	-0.264	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CCNC1=O	1945230914	KCKGDBGLGSYVAO-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1O[C@@H](COC)C(=O)NN	1947168110	GFBVDYDGHDOBRC-UTLUCORTSA-N	246.307	-0.177	50	10	BBGE	
O=C1CN(C(=O)CBr)[C@H]2CC[C@H]2N1	1953945340	CJQRVNSBBXJKBW-RITPCOANSA-N	247.092	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(CF)C1	1955351266	JDOREGKVUMFCIN-RNFRBKRXSA-N	203.261	-0.098	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(O)(C(N)=O)C1	1955571329	GVPXLPAZRZHKQZ-YFKPBYRVSA-N	220.656	-0.938	50	10	BBGE	
C[C@@H]1CO[C@H](CN2CC(=O)OC(=O)C2)C1	1957584464	OHFHRLGFUZFLPJ-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@H]2CCCCC[C@H]21	1960579925	TVKDASLKXGABBA-BRPSZJMVSA-N	211.070	-0.059	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)c1cnn(C)c1	1961352406	NKLBSPQJQSYZON-SSDOTTSWSA-N	211.269	-0.375	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	1961679849	OVXAHVMNOQBMLT-SSDOTTSWSA-N	207.042	-0.997	50	10	BBGE	
Cc1cnn(-c2ccncc2B(O)O)c1	1961721618	BHNPWXRIGJHWEQ-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CO[C@H]1CC[C@@H](CN(C)CC(=O)NN)C1	1962364690	GCSYWYYLQWUEJF-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1976629654	PWRXAORJYIBDBH-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CN(Cc1ccon1)CC1(C(=O)NN)CC1	1976755681	MDXDFVAZHPMQBM-UHFFFAOYSA-N	224.264	-0.124	50	10	BBGE	
CSCCCN(C)c1ncncc1B(O)O	1981415830	IXRMOAILBZIXDV-UHFFFAOYSA-N	241.125	-0.654	50	10	BBGE	
OB(O)c1cnccc1N1CC(C(F)F)C1	1981422450	OSQQSKBCVKUAEW-UHFFFAOYSA-N	228.007	-0.537	50	10	BBGE	
CCC1CN(c2ncc(B(O)O)c(C)n2)C1	1981445665	MKCFFQNSXVOGAC-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC(CF)C1	1982447463	WIMIIGSPYWWCHM-AMDVSUOASA-N	233.287	-0.329	50	10	BBGE	
Cc1ocnc1CCN1CC(=O)OC(=O)C1	1986834220	MZQAYYHXZPJUSV-UHFFFAOYSA-N	224.216	-0.089	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCC(=O)N(C)C	1987931407	CLSZSUNDUWROBX-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C2CC2)C1	1990775486	WFHDDQAULTWQPO-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)[C@@H](CN)C1	1991647973	JXWOVISGXWLCMQ-QMMMGPOBSA-N	245.710	-0.591	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@@H]2COC[C@@H]12	1991649106	XIMDZHNGYFYKBK-XLPZGREQSA-N	245.662	-0.162	50	10	BBGE	
C=C(COC1CC(n2cnnc2)C1)B(O)O	1992153641	QOEGFTSEOZNZQQ-UHFFFAOYSA-N	223.041	-0.434	50	10	BBGE	
C=C(CN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1)B(O)O	1992373320	BXYOZXOGPMAMCK-DTIDVZRVSA-N	223.081	-0.051	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)C2(CCC2)C1	2000813077	CDXPEXYFDSVZRC-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@@H]1C[C@@H]1C(=O)NN	2003784254	IFPBCSIGAKIFFO-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
CN(CCCC(=O)NN)CCN1CCOC1=O	2004247341	WJCFCOIVADFKGS-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
Cn1cc([C@@H]2CCN(CCC(=O)NN)C2)cn1	2004399666	RWCFGQOUWHREPL-SECBINFHSA-N	237.307	-0.411	50	10	BBGE	
CCOC[C@H](C)Oc1nc(C)ccc1B(O)O	2004930921	FYKUDJXPXGDNDJ-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)c1ccncc1B(O)O	2004934433	RNQPEGAPFITSMG-GHMZBOCLSA-N	236.080	-0.625	50	10	BBGE	
NNC(=O)C1(CN(CC(F)F)C2COC2)CC1	2019896844	JINBNNWDUQARJK-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CCC[C@H]1COC2	2021404861	WNVVEZGLJHGXDX-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccccc2B(O)O)[C@@H]1C	2022199999	MOEHYHXXAICFSU-RKDXNWHRSA-N	233.076	-0.153	50	10	BBGE	
OB(O)c1ccc(N2CCC23CCOCC3)nc1	2052465922	DYKQELAYRBCWMR-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CCN(C)C1CN(c2ncc(C)cc2B(O)O)C1	2052626034	SDBJDNIBICAPFT-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
O=Cc1c(F)cc(B(O)O)cc1[N+](=O)[O-]	2060055610	YVSJTXNRNILFDL-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
Cc1nc(NC(=O)CCC2CC2)ncc1B(O)O	2069482927	OGWXKMDWBXVZJA-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	2079602300	LFNMXYJVRSHMBG-ZJUUUORDSA-N	249.123	-0.115	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2C[C@H]2C1=O	2211799517	ZGGNANSBIQYDEQ-FNCVBFRFSA-N	223.276	-0.519	50	10	BBGE	
Cc1cn(C[C@H]2CC[C@H]2C(=O)NN)c(O)n1	2211838528	IGYFBYOQHWYCFY-HTQZYQBOSA-N	224.264	-0.087	50	10	BBGE	
C[C@@H](CO)CC1CN([C@H](C)CC(=O)NN)C1	2212360350	CLZJFYACWXRUMR-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1cc(B(O)O)ccn1	2212600344	BZDNSBMKSBENSX-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
CC[C@H](N)CNc1cc(B(O)O)c(C)cn1	2212605032	WPTJCGLHLUMYIX-QMMMGPOBSA-N	223.085	-0.781	50	10	BBGE	
CP(C)(=O)CCN=c1ccc(B(O)O)c[nH]1	2212606117	OUKGKWDEKMUGSX-UHFFFAOYSA-N	242.024	-0.782	50	10	BBGE	
CN[C@@H](C)CCNc1ncccc1B(O)O	2212610366	HNYDHYBANYCROI-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
CC1(N)CC(Nc2ncccc2B(O)O)C1	2212610635	MFIUVMQDBCCQHW-UHFFFAOYSA-N	221.069	-0.947	50	10	BBGE	
OB(O)c1cccnc1NCc1cnsn1	2212613002	QPCHIJFRHCTJRZ-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2215773896	UUYDZHIXMOIPBG-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(Cn2ccnc2[N+](=O)[O-])CCC1	2216498542	XACSTUXEIIAUFE-UHFFFAOYSA-N	239.235	-0.049	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1nccc(B(O)O)c1F	2217197061	WZPVVUMLIKDXDU-SFYZADRCSA-N	240.043	-0.841	50	10	BBGE	
C#CCN(c1cc(B(O)O)ccn1)C(C)(C)C	2217198102	WPONGLTVVWENHF-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
CC[C@H](O)CCCN=c1cc(B(O)O)cc[nH]1	2217198883	HPIOGUPRLRSNEW-JTQLQIEISA-N	238.096	-0.854	50	10	BBGE	
OB(O)c1cnc(NC2(C(F)F)CCC2)nc1	2217200263	IXYSHQGUFHCCPA-UHFFFAOYSA-N	243.022	-0.244	50	10	BBGE	
CC1(O)CC2(CN(c3ccc(B(O)O)cn3)C2)C1	2223640754	MZMBRGWWCXCAAG-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(NCc2conc2C)cc1B(O)O	2223644179	FVUCOIUPMZAHPI-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
COC12CC(C1)N(c1cc(B(O)O)c(C)cn1)C2	2223644785	NSOZKZIASKVHAP-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CNC[C@@H]1CCCN1c1cc(B(O)O)c(C)cn1	2223647945	FTHJCQUVEXGGRZ-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2NCC[C@H]21	2223667249	QZZGMBVRSSLIIH-QXEWZRGKSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCC[C@@H]1CNC2	2223671386	LBEMCCCWHLCOMX-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
CC1(C)SC[C@H]1NC(=O)C#CB(O)O	2241468795	VCZFEQSNDMLCEJ-ZCFIWIBFSA-N	213.067	-0.988	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C(F)F	2241479837	BGAJUNFOGWJKLW-BYPYZUCNSA-N	206.985	-0.237	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1CNC(=O)C#CB(O)O	2243361657	FEQSLAZXKSQDIB-RCOVLWMOSA-N	231.007	-0.591	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@H]2C[C@@H]21	2243378109	MPFXXRKDDHLCBI-FSPLSTOPSA-N	238.077	-0.943	50	10	BBGE	
CC1(CN)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243396247	JQVHJCJJQICZQD-ZKCHVHJHSA-N	226.085	-0.953	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1nscc1B(O)O	2243410192	WUNBHORMACGJSE-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CC1(NC(=O)c2occc2B(O)O)CCC1	2243411633	XRKGXITYEVNSSS-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)CC1	2247740764	PCUMIGNAIWRNIV-MGCOHNPYSA-N	239.080	-0.582	50	10	BBGE	
O=C(Nc1ccnnc1)c1occc1B(O)O	2247750865	PBDRYHHFPISYFY-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783407	FAWGKIREHDJGOL-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H](C)CO1	2247787364	OEPOKVNUYNDAKR-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247791220	LVMMLVPGMXAOBN-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
Cc1ccnc(C(=O)NOC(C)C)c1B(O)O	2247791496	MMTSZSZDYORSLW-UHFFFAOYSA-N	238.052	-0.860	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)C2CC(B(O)O)C2)O1	2247797686	MBMXMXGXHQLVEH-WOOKNIGNSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCC1=CCCOC1)C1CC(B(O)O)C1	2247808437	VBIWQXNJNTVDMT-UHFFFAOYSA-N	239.080	-0.298	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@@H]1B(O)O	2247809905	SJMDQJHFLPVMBY-DLXYEPTOSA-N	239.080	-0.875	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)[C@@H](CC)CO1	2247848095	HBYDRNFABBSZKM-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H](CC#N)C(F)(F)F	2247850243	LXKJCBZPLCLTTE-LURJTMIESA-N	247.969	-0.695	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ccc(B(O)O)o1	2247866723	RFKFQYHFRRFZEJ-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
CN(C)CC1CN(C(=O)C2(B(O)O)CCC2)C1	2247878706	PHTPCGFWTYGROG-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)[C@H]1C[C@H](B(O)O)C1	2247895472	SXNCTIMNGTVLIP-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2247897595	VEGQMFNDVXWHOR-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586236	XWXCTYYYBVDDFB-HSNKUXOKSA-N	241.052	-0.924	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1CCC1	2249424528	UNDACHKGHVTSHU-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NCCC#CB(O)O)O1	2250004834	PWGAQASJSSONIF-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C#CCN(CCC)C(=O)c1cc(B(O)O)oc1C	2255450784	ZABMPFVHRMBNTJ-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cn1	2255515618	AHHSBQBFKXDAGT-IUCAKERBSA-N	246.075	-0.853	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cn2)C[C@@H]1C	2255517401	VEKDGZJBGVKGQO-DTORHVGOSA-N	248.091	-0.511	50	10	BBGE	
O=C(NCC=CC1CC1)c1cncc(B(O)O)c1	2255521767	AFRQDKRMXYQPLF-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
CC1(NC(=O)c2cncc(B(O)O)c2)CC=CC1	2255523204	QVKAILUJGXQDPR-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](c2ncc[nH]2)C1	2255682885	NKZGPHSYPRLGIQ-IWSPIJDZSA-N	249.079	-0.412	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1nc(C)ccc1B(O)O	2255724872	IMCVZUUJAYQORT-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC2(CC2)C1	2255726533	DYUOHGSHCXPYDT-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC2(CC2)C1	2255734876	ITXPBDAPJYHKTC-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1CCOC1	2255735239	PSPQXMYEPJMLQJ-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
C#CCCCCC(=O)Nc1cccc(B(O)O)n1	2256606799	WNBSGKUIUPXNOQ-UHFFFAOYSA-N	246.075	-0.107	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258125414	QBGVTYQZLKONQG-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(C)c(B(O)O)c1	2258282205	CANVXEYDOBIUQV-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](Nc1ccc(B(O)O)cn1)C2	2258393104	FFDSTUNMSZWVMX-SCVCMEIPSA-N	248.091	-0.259	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)[C@H]1C(=O)O	2298463660	RPOXKIKTYSVKAU-AXMZGBSTSA-N	241.052	-0.925	50	10	BBGE	
C[C@@H]1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1O	2300373458	RNPHNJNLVCLHIH-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C#C[C@@H](C)N(C)c1ccc(B(O)O)cc1C#N	2301345393	FJXXWMWNIMUBCO-SECBINFHSA-N	228.060	-0.304	50	10	BBGE	
CC=C(C)C(=O)Nc1ncc(B(O)O)c(C)n1	2301714443	OEXKIMLLVFHKEJ-UHFFFAOYSA-N	235.052	-0.630	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2302049778	KMIRSIGBPVBLPY-ZRUFSTJUSA-N	241.335	-0.010	50	10	BBGE	
COC[C@H](O)CN(C)[C@H](C)CCCC(=O)NN	2302061924	XBSNMDRSFYDRRW-NXEZZACHSA-N	247.339	-0.526	50	10	BBGE	
CCN1C[C@H](CN2CC[C@H](B(O)O)C2)OC1=O	2303098016	SYZAIDXCXUAGPH-IUCAKERBSA-N	242.084	-0.624	50	10	BBGE	
CC1(C)NC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303854284	BHLKRXNWVBSUJV-QMMMGPOBSA-N	240.043	-0.970	50	10	BBGE	
C[C@H]1[C@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	2304191189	SKMVGQNORIPVLR-LADJIXMOSA-N	241.335	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@H](C)[C@@H]1C	2304213641	SLCAMZFGOSXHIC-WEDXCCLWSA-N	243.307	-0.755	50	10	BBGE	
O=C(N1C[C@H]2CC[C@H]1[C@@H](O)C2)C1(B(O)O)CC1	2306281069	OEVAJEKHSPJTLM-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC[C@H]2COC[C@H]2O1	2306828524	NYQUGCLYPFHIIE-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1C[C@H](O)C1	2317161871	OSXNTVPOHKJVCL-XYPYZODXSA-N	246.075	-0.802	50	10	BBGE	
CO[C@@]1(C)C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317164419	ZJSZABMMIRCWGG-NEPJUHHUSA-N	246.075	-0.173	50	10	BBGE	
C[C@]1(Oc2ccc(C=O)c(B(O)O)c2)CCNC1	2317352286	WVCLEJQTCBANSF-LBPRGKRZSA-N	249.075	-0.690	50	10	BBGE	
NNC(=O)[C@@H](NC(N)=O)c1ccccc1	37389379	IJPGHTYHUJGZAB-ZETCQYMHSA-N	208.221	-0.614	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1C[C@H]1C	66654650	XBVIAFBDPLFUKO-RNFRBKRXSA-N	200.238	-0.174	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c(c1)CCO2	70044495	HCPPHBADPOZSGN-UHFFFAOYSA-N	221.216	-0.065	50	10	BBGE	
NNC(=O)CCCCCN1CCC(N)CC1	70596907	IUWQQKXWLWSHRO-UHFFFAOYSA-N	228.340	-0.040	50	10	BBGE	
C[C@H]1CN2CCCC[C@@H]2CN1CCC(=O)NN	94444465	CPAPDBLOVKEXOM-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
O=C(O)[C@H]1C[C@H]2C(=O)OC(=O)[C@H]2C[C@H]1C(=O)O	100503657	KUPAKADFLMGMHT-GUCUJZIJSA-N	242.183	-0.502	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)CC1=O	132545546	SYPADSKOZQSXIO-ZETCQYMHSA-N	201.657	-0.109	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CCOC1	134791390	AMGKTBYFINWKSN-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccncc1	232419245	CGCATCPOTBGKLZ-SNVBAGLBSA-N	238.291	-0.482	50	10	BBGE	
COC[C@H](SCCCO)C(=O)NN	232421675	METTXJPQKYWLHG-LURJTMIESA-N	208.283	-0.893	50	10	BBGE	
COC(=O)NN[C@H](CCCCN)C(=O)O	238315040	KXDZCSLSTGOBHD-ZCFIWIBFSA-N	219.241	-0.571	50	10	BBGE	
O[C@@H]1[C@@H](Cl)[C@H](O)[C@@H](CF)O[C@H]1O	307372765	RJDGZORNPYKEPA-AIECOIEWSA-N	200.593	-0.998	50	10	BBGE	
COCCOCOc1ccccc1B(O)O	390044237	ALPWNPFMWIFBMX-UHFFFAOYSA-N	226.037	-0.634	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(CO)C1	394574364	UZUYTWBAQLBOGB-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)Cc1ccc([N+](=O)[O-])cc1B(O)O	396048737	ASEWFWVAIWCLEI-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCOC[C@H](Cl)C1	399978946	WGWGBBMOZHPQRV-BDAKNGLRSA-N	249.694	-0.132	50	10	BBGE	
C[C@@H](CSC[C@@H]1CN(C)CCO1)C(=O)NN	400747179	BCPHWSBDLORNNS-IUCAKERBSA-N	247.364	-0.324	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)c1ccnn1C	402785037	SEVJKNCVZWGRHI-ZETCQYMHSA-N	241.251	-0.678	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N([C@H](C)C(=O)NN)C1	687213977	XFTUAXDRKZFNFR-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
Cc1nn(CCCCC(=O)NN)c(=O)n1C	691691982	HLTUZYMGEKMKKW-UHFFFAOYSA-N	227.268	-0.950	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)C1	695069908	NFPZMMSZYJNAFI-RKDXNWHRSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCl)[C@H](O)[C@@H](O)[C@H](O)CCl	701693057	MLQSSVPAOPJIFW-PYWDMBMJSA-N	217.048	-0.884	50	10	BBGE	
CCCO[C@@H]1CCN(CC(=O)NN)C1	701697867	CMBZWWKYQBUWMF-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
O=C(NCB(O)O)c1ccncc1Cl	701957225	ZPZAWTNHQHYUKY-UHFFFAOYSA-N	214.417	-0.523	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@]1(O)CCN(C)C1	702654323	URRGPMCZCACOMH-CBAPKCEASA-N	220.700	-0.204	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1CC(O)C1	703448529	LGAQSQYOGZRBDP-GEPGNKONSA-N	225.244	-0.326	50	10	BBGE	
CNNC(=O)[C@H]1CCCN(C(N)=O)C1	704664401	FJZUNYUSSUJOIV-LURJTMIESA-N	200.242	-0.972	50	10	BBGE	
C[C@H]([C@H]1CCCCO1)N(C)C(=O)C(=O)NN	706004639	GVZJQAMGIMNVFO-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
C[C@H]1CN(C)CCN(CC(C)(C)C(=O)NN)C1	707564046	INEWGAQRYJESOU-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
C#CCOC(=O)N1CCc2cccc(B(O)O)c21	712162284	MQLJHJPUBXOHGV-UHFFFAOYSA-N	245.043	-0.501	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1CCc2ccc(B(O)O)cc21	713063108	XGBHLCHCUBQXDO-KCJUWKMLSA-N	245.087	-0.089	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]3C2=O)o1	715696600	AJQFJYZNYXSZGR-HTRCEHHLSA-N	235.243	-0.139	50	10	BBGE	
OB(O)c1ccc(OCC[C@H]2CO2)cc1F	718539535	ALRGYZHRFVTOFE-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)CCO1	720476413	SHEHYWLWTRNVGO-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1	814343853	YPHUGFUNSRFFNX-HRDYMLBCSA-N	242.275	-0.262	50	10	BBGE	
C#CCC(CC#C)C(=O)NNc1cnnn1C	816770079	JAOFQZJOEXDOGP-UHFFFAOYSA-N	231.259	-0.079	50	10	BBGE	
N#CC1(O)CCN(CCCCC(=O)NN)CC1	821981095	RKEVRJAANBPWLG-UHFFFAOYSA-N	240.307	-0.503	50	10	BBGE	
COCC(=O)NN=Cc1cncnc1OC	842528479	SCATWFSRRLFKRO-UHFFFAOYSA-N	224.220	-0.418	50	10	BBGE	
CCCNC(=O)NNC(=O)/C=C\C(=O)N(C)C	1597914179	AJOWPFQVXCIUEY-WAYWQWQTSA-N	242.279	-0.629	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\c1cn(C)cn1	1630972213	JMBAXXQOYCCLKV-ARJAWSKDSA-N	223.236	-0.607	50	10	BBGE	
COCCOCC(=O)NNC(=O)c1ccon1	1648450831	VOSMWPZXXDOXDP-UHFFFAOYSA-N	243.219	-0.901	50	10	BBGE	
C[C@H](CCl)NC(=O)C1CS(=O)(=O)C1	1881854974	GZRUQTCJRYDGKG-RXMQYKEDSA-N	225.697	-0.226	50	10	BBGE	
NNC(=O)C1(CSC2CNC2)CC1	1882111500	ZKJZXSPMRRPDJE-UHFFFAOYSA-N	201.295	-0.539	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCONC1	1893498100	PFDIAULUXNJWAL-IPWVHJGXSA-N	218.640	-0.282	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)/C=C/C(=O)Cl	1893498168	PUTWQHJRXZFEPR-SGJFDWMWSA-N	221.640	-0.833	50	10	BBGE	
CCn1nnc(CNS(=O)(=O)CCl)n1	1894802753	NWGCRQAEUUFWJT-UHFFFAOYSA-N	239.688	-0.691	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1ncccc1B(O)O	1896345572	YLPWDXBWRLPDQD-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2CC1(CO)C2	1900043293	LTWZHQATOAJCCT-INWMGODYSA-N	227.308	-0.398	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H](N)C[C@H]1C2)S(C)(=O)=O	1901375929	SYJCYHPKCVMOBD-ACLDMZEESA-N	247.320	-0.964	50	10	BBGE	
NNC(=O)NC[C@]12CO[C@](CF)(C1)C2	1902182317	GBHIKDWGQPMLNN-OCAPTIKFSA-N	203.217	-0.322	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@@H]2C1=O)C(=O)NN	1902728902	IFJVMYSUDQHBKI-VHSKPIJISA-N	225.292	-0.129	50	10	BBGE	
C[C@@](CN)(C(=O)O)N1CCC(O)(C#N)CC1	1904556100	GLWIALMEFVZAMK-SECBINFHSA-N	227.264	-0.861	50	10	BBGE	
COc1ncnc(N(C)C)c1[C@@H](N)[C@@H](O)C#N	1906056827	JOANEQPXUMGVRQ-XPUUQOCRSA-N	237.263	-0.565	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2[C@@H](O)C[C@@H]21	1907912383	AJMLOUOJCSULFB-FXQIFTODSA-N	249.261	-0.543	50	10	BBGE	
CC(C)[S@](=O)Nc1ncccc1B(O)O	1913617510	KZHCDLDQAPCYSF-HNNXBMFYSA-N	228.082	-0.755	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914017399	CXMUBDQLVYVKGE-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1CC(O)C1	1914572559	COEZIFZOIMYXQI-UHFFFAOYSA-N	240.263	-0.767	50	10	BBGE	
CN(CCCCC(=O)NN)CC1(O)CCC1	1914574916	LRNPDZKLKOUVBK-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CCOC2)C1	1915583749	SITNRGLSYLHITK-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CN(CC1CSC1)CC(F)(F)C(=O)NN	1927815509	XTKBARGVQXIDRG-UHFFFAOYSA-N	239.291	-0.094	50	10	BBGE	
C[C@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1	1927817187	YPFFWWLLEPNGTN-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](F)[C@H](OC)C1	1928691843	HOPYUGFMOWHHNC-XLPZGREQSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)CN1CCOC[C@H]1C(F)(F)F	1930691159	NNGXAQJYXQDMAN-YFKPBYRVSA-N	227.186	-0.761	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(C2CC2)C1	1933056719	MZXSUOQTFRDTPS-SCZZXKLOSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(C2CC2)C1	1933057645	WJYZKQUVZWMHSY-UHFFFAOYSA-N	219.235	-0.047	50	10	BBGE	
C[C@H]1SCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936090134	GQPCJGDOXRPFAL-GJMOJQLCSA-N	243.332	-0.424	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C(=O)NN)C(C)C	1937467567	LFMZIXIEJUFKRW-JTQLQIEISA-N	228.340	-0.363	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1CC1(C(=O)NN)CC1	1945884195	MQAHPCRMEPJVSN-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1945903125	AXTVUMXEDOOYKC-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1N(C)CC(=O)NN	1960265671	HWESLEXYAFQQGM-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CC(C)(C)CN(CC(=O)NN)C1=O	1961378316	YOMLQHBYSFUIIQ-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccn1C	1961388206	AGECCERQXMTKGA-MRVPVSSYSA-N	210.281	-0.165	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(CCO)C(=O)C1	1961462879	LQKSADMMUAFUAH-QMMMGPOBSA-N	231.683	-0.746	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC12COC2	1961512436	FPMHRQSGIFZUCM-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
C[S@](=O)C1CN(CCCCC(=O)NN)C1	1961567029	YJXAOXMAGYUDLZ-HNNXBMFYSA-N	233.337	-0.791	50	10	BBGE	
OB(O)c1cc(Cl)cnc1-n1ccnc1	1961721733	CHAMEKYSLFPIDP-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
NNC(=O)c1sncc1CN1CC(F)C1	1961918060	GRLUVESWXLRXRR-UHFFFAOYSA-N	230.268	-0.100	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)C(F)F)CC1	1974890636	HENXCNBIWKGXAU-ZETCQYMHSA-N	220.219	-0.037	50	10	BBGE	
CN(Cc1ncn(C)n1)C[C@H](Cl)C(=O)O	1975066227	PZFSVMNSMYVOOY-LURJTMIESA-N	232.671	-0.061	50	10	BBGE	
NNC(=O)C(F)(F)CCSCCC(N)=O	1975109306	FAPRDRRGDRJMAA-UHFFFAOYSA-N	241.263	-0.390	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@]12CCCO2	1976842546	VMHSTARLCLCCHW-GMSGAONNSA-N	227.264	-0.854	50	10	BBGE	
CSCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1976996227	XEMXFBHTOSVNMN-LURJTMIESA-N	249.097	-0.828	50	10	BBGE	
COC[C@@]1(C)COCCN1[C@@H](C)C(=O)NN	1980189818	OLBVLQYPXZAGFZ-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(O)(C(F)(F)F)C1	1980809377	JNFAOMGKNXNUPP-RXMQYKEDSA-N	241.213	-0.636	50	10	BBGE	
Cc1ccnc(N2CC(C)(F)C2)c1B(O)O	1981415106	ADUPPGDKXJPPJM-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
C=C[C@H](C)CC(=O)N[C@H](CB(O)O)C(=O)O	1981695455	CVEOENXNPKRLAT-NKWVEPMBSA-N	229.041	-0.759	50	10	BBGE	
COC[C@]1(C)CCN1C[C@H]1C[C@H]1C(=O)NN	1982943970	IHSWVLBOZCSGCA-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](COc1ccc(B(O)O)cc1)N(C)C	1983809349	OGBUJBQMYRIMOS-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1nc(C(=O)NN)cs1	1985746131	YZLLUKMOIDPUQJ-VDTYLAMSSA-N	242.304	-0.688	50	10	BBGE	
C[C@@H](O[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	1986236224	QVEDJHFYYRBWJG-BWZBUEFSSA-N	225.252	-0.623	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	1987554852	JMCQHANSOOPTND-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CCCCC(=O)NN	1990040564	GCGUYHBYLJGCEN-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)N1CC(O)(C(=O)O)C1	1991454030	UFJVJZCXJXCVTN-NTSWFWBYSA-N	248.666	-0.545	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCn2nncc2C1	1991648167	LQYHVEZPLPJZEJ-UHFFFAOYSA-N	240.650	-0.058	50	10	BBGE	
C[C@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@H](CO)O1	1991712174	DIGCHULBVJUBEG-RIAPOHOLSA-N	247.678	-0.084	50	10	BBGE	
CC(C)(C)CCS(=O)(=O)NCC#CB(O)O	1992136090	WCGZJAORASIAFA-UHFFFAOYSA-N	247.125	-0.643	50	10	BBGE	
CC1(C)CC(C)(C(=O)NCC#CB(O)O)C1	1992152354	DJBCYWXXAQQEIF-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992323269	DMIKWZRLAIAGTD-KXUCPTDWSA-N	227.308	-0.136	50	10	BBGE	
CN(C[C@@]1(C)CCCCO1)C(=O)C(=O)NN	1992614115	UDRQOCDJRWXKOY-SNVBAGLBSA-N	229.280	-0.606	50	10	BBGE	
C[C@]1(O)CN(C(=O)C=CC(=O)Cl)CC[C@@H]1O	1993583113	OMDZQHYAUAWQRH-XVKPBYJWSA-N	247.678	-0.348	50	10	BBGE	
Cc1cc(CNC(=O)C2CC2)sc1B(O)O	1993789300	NJIBSRDIMORFLT-UHFFFAOYSA-N	239.105	-0.237	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@@H](C)[C@H](C)C(=O)NN)C1	2000966715	IHRWKRBJUMUUAZ-AATLWQCWSA-N	245.323	-0.918	50	10	BBGE	
Cn1ncc2c1CN(CC(F)(F)C(=O)NN)C2	2003028569	WLSFQIIJIYLEGZ-UHFFFAOYSA-N	245.233	-0.639	50	10	BBGE	
Cc1ncc(OCCn2cccn2)cc1B(O)O	2031605518	XPEYZNOULBTPQV-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C2(CC2)C1	2052470549	FVYVPYGAUXXRIU-SECBINFHSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCCC[C@@H]32)ncc1B(O)O	2052552951	AEFFTGXJPWWDHR-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
C[C@H]1C(Cn2cnc3c(B(O)O)ncnc32)[C@@H]1C	2055739988	JLEOYKWJVNBWNV-RNFRBKRXSA-N	246.079	-0.592	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1ccc(F)cc1	2058154470	FJBQUNHXWLYQQY-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)c(OC)c1	2060262834	AHIASAMLQOWMNZ-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
COc1cc(C)c([N+](=O)[O-])cc1B(O)O	2060380097	VOMCNHNHHIJYEJ-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CN(Cc1cccc2nccn12)C(=O)C(=O)NN	2064365113	ROYZRMPIQCNTCL-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
CC(C)(C)OC(=O)C1(O)CC(=O)OC(=O)C1	2070286944	ZDILKAFHOPYMAV-UHFFFAOYSA-N	230.216	-0.077	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070851900	OMCXZFHBFXZWGQ-KWTDZHAOSA-N	244.103	-0.148	50	10	BBGE	
Cc1cnc(SCCO)cc1B(O)O	2210063515	AXVRDHAGRUUKSL-UHFFFAOYSA-N	213.067	-0.846	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C(C)(C)O	2212601458	OFODGGMSRURFBZ-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1ccnc(N2CCC3(CC3)C2)c1	2212610853	PZYFISAMPRRSDV-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
C[C@H](CC#N)N(C)c1ccc(B(O)O)cn1	2212612794	ONKTZXUWKLWHMV-MRVPVSSYSA-N	219.053	-0.500	50	10	BBGE	
C[C@]1(CO)C=CCN1CCC(F)(F)C(=O)NN	2215689873	ANWLDOPQCZDIHP-SECBINFHSA-N	249.261	-0.376	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CCO)C2)CCC1	2216527352	BFCUIFZHKCSJNJ-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC3)C2)CCOCC1	2216881681	NHWHAPHGVVJNFG-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
CC(C)(C)[C@H](N)COc1ncccc1B(O)O	2217168208	SWSKBLXBWCPEKE-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
Cc1cnc(CNc2cc(B(O)O)ccn2)[nH]1	2217177376	IGWOSYCRJNXUJX-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCOC2)cc1B(O)O	2217180788	KUZSOLNEXABAPG-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CCCOC2)[nH]c1	2217184550	PZDUTLCUMQADEK-VIFPVBQESA-N	236.080	-0.978	50	10	BBGE	
C[C@@]1(CCOc2ncccc2B(O)O)CCN1	2217185265	UVHQBVFXWJOOPO-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
CCOC1CN(c2cc(B(O)O)c(C)cn2)C1	2217185623	ZNTKCHJGEXIFHO-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
C[C@H]1C[C@H]1NCCOc1cc(B(O)O)ccn1	2217191678	DKRIVAPSOSRLNO-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H]1[C@@H](Nc2cc(B(O)O)ccn2)CCN1C	2217200122	IAUDXQYMYJZQOE-SCZZXKLOSA-N	235.096	-0.734	50	10	BBGE	
Cc1cnc(N[C@@]23CCNC[C@@H]2C3)cc1B(O)O	2223649162	UWCPNLLKWVPGRE-JOYOIKCWSA-N	247.107	-0.766	50	10	BBGE	
Cc1cnc(N2CC[C@H]3[C@@H]2C[C@H]3O)cc1B(O)O	2223651627	DGJBKBPHQNLAGV-INTQDDNPSA-N	248.091	-0.971	50	10	BBGE	
OB(O)c1ccnc(OC2([C@H]3CCNC3)CC2)c1	2223664906	ZSBJZCDKHNAOHF-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
C#CC1(NS(=O)(=O)N2CC(Cl)C2)CC1	2241867224	HXYUUCOIAMLGFH-UHFFFAOYSA-N	234.708	-0.090	50	10	BBGE	
CC1(OCC(F)(F)C(=O)NN)COC1	2242121951	KCPSPVUGKLYYEX-UHFFFAOYSA-N	210.180	-0.583	50	10	BBGE	
CN(C)NC(=O)CC[C@H]1CNCCO1	2242393873	SJSIVEVWCWAQNF-QMMMGPOBSA-N	201.270	-0.652	50	10	BBGE	
O=C(C#CB(O)O)N[C@]12CCC[C@@H]1CSC2	2243349746	PYOKCBTZDYWHIZ-SCZZXKLOSA-N	239.105	-0.596	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ccoc1B(O)O	2243350220	XPNDSJKOYKSNOW-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
CC1CC(NC(=O)C#CB(O)O)(C(F)F)C1	2243356819	NHIMJIKGMNIZBJ-UHFFFAOYSA-N	231.007	-0.448	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)C1(B(O)O)CC1	2243358341	FSDKJCWLDCNUFY-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
O=C(NC[C@H]1CCCCO1)C1(B(O)O)CC1	2243363858	NLSRTAPLDDMXIH-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)n[nH]1	2243372194	DVSMHIAYXIKTGL-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
C=CCCN(C)C(=O)c1csnc1B(O)O	2243377503	ACSVOKUFYPXDKL-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
CN(CC(C)(C)O)C(=O)C1CC(B(O)O)C1	2243396141	IGHFBPGZAAHFOL-UHFFFAOYSA-N	229.085	-0.531	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(C(=O)C#CB(O)O)C1	2243400774	HSNXNUJZHCWWGD-MRVPVSSYSA-N	223.037	-0.967	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243401586	UFEXBKHTALCXOE-RNFRBKRXSA-N	231.007	-0.591	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)O	2243410879	JJWAPQNVRAAKHO-ZETCQYMHSA-N	229.085	-0.341	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243414490	BTLMXCWRLPMODQ-ZKCHVHJHSA-N	226.085	-0.906	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CNC1	2243427529	WXKKVIRQKHCLAV-ZKCHVHJHSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]1C1CC1	2244548911	WGBMGIWYPHVNQW-ZJUUUORDSA-N	221.065	-0.446	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H](C)[C@@H]1C	2247734042	QXWAWLHYHJVJOO-BQBZGAKWSA-N	237.064	-0.252	50	10	BBGE	
CC[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247738141	NFFQSCZHUVKNKR-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CCC1)C(=O)C#CB(O)O	2247747858	UHNHJFCINDJCHZ-GHMZBOCLSA-N	235.092	-0.104	50	10	BBGE	
O=C(c1occc1B(O)O)N1O[C@H]2C=C[C@H]1C2	2247750550	LCAOBTUYBKBZFW-BQBZGAKWSA-N	235.004	-0.956	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247750749	NRWXKOLMEHIPIS-RKDXNWHRSA-N	243.112	-0.095	50	10	BBGE	
CC[C@H](C)NC(=O)c1ncc(B(O)O)cc1F	2247753975	BKXOQITZUQCZAR-LURJTMIESA-N	240.043	-0.571	50	10	BBGE	
O=C(N(CC1CC1)C1COC1)C1(B(O)O)CC1	2247758738	WZYRCKQKCNXTQM-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CC1	2247758997	YUDAZUGJAPHTLI-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786244	YCDCAKSPPKWBHK-LRPJSKTQSA-N	239.080	-0.467	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786527	BVXLHEYQDXAZPX-IMSYWVGJSA-N	243.112	-0.095	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@H]1B(O)O	2247791026	KSUYDBZOVPICQJ-LOLPMWEVSA-N	238.096	-0.752	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)C2(CCC2)C1	2247797070	FZOFAQXZSAWWEA-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
CN(CCc1cnc[nH]1)C(=O)[C@H]1C[C@@H]1B(O)O	2247797664	LVMSKMJGJGJOFF-IUCAKERBSA-N	237.068	-0.727	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1cn[nH]c1	2247800785	STNKOEPDWKVWBY-ZKWXMUAHSA-N	237.068	-0.160	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247806184	MRKALPWWGDESSX-FNCVBFRFSA-N	237.064	-0.366	50	10	BBGE	
CC1(O)CC2(CN(C(=O)[C@H]3C[C@H]3B(O)O)C2)C1	2247808883	MYEMQAARSGALTI-JGVFFNPUSA-N	239.080	-0.777	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C	2247809184	YDCALOXJMAFNAV-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
O=C(N1CC[C@@H]2COCC[C@@H]21)C1(B(O)O)CC1	2247854147	XWNXUNBRAYPTIC-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CC=CCNC(=O)c1ncc(B(O)O)cc1F	2247873475	BUDIVFYYOMXBTH-UHFFFAOYSA-N	238.027	-0.794	50	10	BBGE	
O=C(NC[C@]1(F)C[C@H](CO)C1)C1(B(O)O)CC1	2247874403	LSSPXXPQYGODQF-XWEPSHTISA-N	245.059	-0.780	50	10	BBGE	
Cc1ncc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)o1	2247886850	HCEVBAVACRAFHQ-BDAKNGLRSA-N	238.052	-0.495	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]1C2	2247894569	IGFOUSBIEQQFLH-SPFKKGSWSA-N	239.080	-0.779	50	10	BBGE	
COC[C@]1(C)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247900800	ZUPKMKPYTFFLND-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CC[C@@H](COc2ncncc2B(O)O)C1	2248026173	MVFJLRPIMYGCRP-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
CC1([C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C(=O)O)CC1	2248593805	QKSBFKAUSHLKDM-LYFYHCNISA-N	241.052	-0.781	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1coc(B(O)O)c1	2255443457	ARWKULDQZRFIIC-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255462546	WVXQBJQYCZRDMJ-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccoc1B(O)O	2255465385	JYCKQNDTVUGPRA-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ncncc1B(O)O	2255504832	NIBZCJPMPIVMRV-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255717553	KPWUNSVQXIBUJR-LLVKDONJSA-N	248.091	-0.368	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2258127066	YDZNVMUVJHJQFE-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@H]1C[C@H](B(O)O)C1	2261219031	AIYLEOGARPGZRL-MGCOHNPYSA-N	249.079	-0.312	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2C[C@H]1CC2(F)F	2298367349	BPBZUFYHELFYLO-BIIVOSGPSA-N	243.018	-0.448	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)O1	2298368810	ZGHXEGALQPPYDR-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298369228	NBHVMRKYFVRLFB-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369530	XRFXOEOTUUUKBB-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376037	FDYRURUIMKMDRU-KDXUFGMBSA-N	245.059	-0.565	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298376115	IWVWNKQFQFYLSI-JLIMGVALSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCCO[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298376228	NPFSNRPJQRIVMB-LRPJSKTQSA-N	239.080	-0.610	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2C[C@H]3C[C@@H]3C2)C1	2303167528	QFGJFCVWWWGPRV-KKZNHRDASA-N	238.096	-0.003	50	10	BBGE	
C[C@H]1[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1O	2304186442	JWGXGEHIIOQFRP-GENCIFFESA-N	241.096	-0.533	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1ncccc1B(O)O	2312612171	FSEWSYXRBKUNFJ-HLFFCZDVSA-N	248.091	-0.734	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1c1ccc(B(O)O)cc1C#N	2317151596	SIKHCAVMDPTHAA-GZMMTYOYSA-N	246.075	-0.802	50	10	BBGE	
C[C@H]1[C@H](N)CCN1c1ccc(B(O)O)cc1C#N	2317168695	XPILSTWWLZSAPA-GZMMTYOYSA-N	245.091	-0.836	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCNC2)cc1B(O)O	2317312963	PCQZQADREJTWRZ-SECBINFHSA-N	248.091	-0.800	50	10	BBGE	
O=Cc1ccc(N[C@@H]2C=CCNC2)cc1B(O)O	2317313529	YLDWRNBTVATHKP-LLVKDONJSA-N	246.075	-0.881	50	10	BBGE	
CCOC1CCN([C@@H](C)C(=O)NN)CC1	82468931	LMKUDNQJFUAWJB-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C)N(C)CCCC(=O)NN	82469591	NCZUOTQNRIVEKQ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H](O)C1	82470429	GRPUHIGHVKRLDF-IUCAKERBSA-N	215.297	-0.542	50	10	BBGE	
CCn1c(SCCCC(=O)NN)n[nH]c1=O	82472678	WKHVSFGHKROAAE-UHFFFAOYSA-N	245.308	-0.547	50	10	BBGE	
O=C1CN(C(=O)CBr)CCN1	82506047	TZOAFYMBPOEPAD-UHFFFAOYSA-N	221.054	-0.660	50	10	BBGE	
CC(C)(N)CSC[C@@H]1CC[C@H](C(=O)NN)O1	85349775	ZRBOHCIYBZZZQZ-JGVFFNPUSA-N	247.364	-0.006	50	10	BBGE	
Cc1ccn(-c2cncc(B(O)O)c2)n1	203614418	FEZFPPDOSOYJDL-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](C(N)=O)C1	223064058	POZRNAIGYFRKBO-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
C[C@H](Br)C(=O)NCC(N)=O	229231469	NAYINEQLCFKUFC-VKHMYHEASA-N	209.043	-0.629	50	10	BBGE	
C[C@]1(NCC(=O)NNc2ccccn2)CCNC1	230738508	AFKWNAMUOXKVBI-LBPRGKRZSA-N	249.318	-0.134	50	10	BBGE	
O=S(=O)(CCCl)NCc1nnc[nH]1	232298620	ILGDSYPLHBGPMD-UHFFFAOYSA-N	224.673	-0.537	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)C1(C)C)C(=O)NN	308847971	PZWBUKNYRDVECY-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@@H](C)C(=O)NN	385966126	ZNJHGOPMFYKDAG-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)NNS(=O)(=O)C(C)(C)C	388628072	JWIGFYPIYZKLDL-UHFFFAOYSA-N	210.255	-0.025	50	10	BBGE	
O=C(O)CC(=O)NNc1ncc(F)cn1	389907224	HRAZKXVAKKTBEM-UHFFFAOYSA-N	214.156	-0.467	50	10	BBGE	
NNC(=O)Cn1cnc(C2CC2)cc1=O	395651290	XZFFLNWVZVYNLP-UHFFFAOYSA-N	208.221	-0.889	50	10	BBGE	
NNC(=O)c1coc(CSCCC(N)=O)n1	399173803	HNFDKEKJPPGPSF-UHFFFAOYSA-N	244.276	-0.613	50	10	BBGE	
CC(C)[S@](=O)Nc1cccc(B(O)O)n1	404936628	ZSMBIQHQHUKORZ-HNNXBMFYSA-N	228.082	-0.755	50	10	BBGE	
CC12CC(CN1C(=O)c1cccc(B(O)O)c1)C2	585010030	HBVLSYWQBIYKBT-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
CC[C@@H]1C[C@@H](N2CC(=O)OC(=O)C2)CO1	688490575	WRRABQWPRUBDBY-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)C(C)(C)C	689989345	REWVAAHGITYHOZ-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCC(C)(C)O1	691936984	NHWIACZMUPMOPY-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CNC[C@@H]2C3)CC1	693293604	PKBNJTAVCHWOCP-CABZTGNLSA-N	235.287	-0.527	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC=CCC2)n1	694308593	LUMKMKOTNRAGLH-VIFPVBQESA-N	206.054	-0.081	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCNC1=O	696374860	AMQLASRYTBAOPP-UHFFFAOYSA-N	224.220	-0.592	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)C[C@@H]1CO	698211524	CMPQLZIUWCHNTR-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnccn1	700075390	QGYDTBIAHGBGSZ-UHFFFAOYSA-N	209.253	-0.712	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@H]1C(=O)O	703093373	ZIISOFNFHMTFLB-PHDIDXHHSA-N	217.225	-0.996	50	10	BBGE	
COC(=O)C1(O)CN(CCOCCCl)C1	714442411	WLKKCKOUXGWFOM-UHFFFAOYSA-N	237.683	-0.539	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)C(=O)NN)CC1	718281015	UDVAHVIMGDNQFV-JGVFFNPUSA-N	229.280	-0.560	50	10	BBGE	
CN(CCO)C1=C(C#N)[C@@H](O)[N]S1	725576261	MPDROJYPIAIHOP-ZCFIWIBFSA-N	200.243	-0.770	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CO)c(Cl)n1	753445059	FGUAGIHJGBAMCE-UHFFFAOYSA-N	243.650	-0.203	50	10	BBGE	
O=C(NN=C1CC(=O)N2CCC[C@@H]12)c1cn[nH]c1	863154359	WAUBFICKAWUXCE-VIFPVBQESA-N	247.258	-0.110	50	10	BBGE	
COCCC(=O)NNC(=O)c1cnsn1	894288389	TZIRXUOJIQKJLM-UHFFFAOYSA-N	230.249	-0.664	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1CCNC(=O)CC1	1326342890	JWCJDJMNEFKUFG-ZETCQYMHSA-N	243.263	-0.368	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)NC2CC2)nc1O	1327865522	ZHZPLYLPQMGKJJ-UHFFFAOYSA-N	239.235	-0.768	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](OC)[C@@H]1CCOC1	1328185064	NMOFVDQVOGFVRG-SFYZADRCSA-N	245.279	-0.612	50	10	BBGE	
O=C(CC1COC1)NNc1ncccn1	1331910218	FMQVEISXPWLFKO-UHFFFAOYSA-N	208.221	-0.044	50	10	BBGE	
Cc1nc[nH]c1CC(=O)NNC(=O)C(C)(C)O	1466943785	DNXUCBJFADGXOE-UHFFFAOYSA-N	240.263	-0.821	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H](C)CC(N)=O	1540444983	LVEROPQDDBBUQK-ZCFIWIBFSA-N	244.320	-0.821	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)C2CC2)CCN1	1623970524	PBHHSBRCTCDLKY-MRVPVSSYSA-N	239.275	-0.540	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@@H](O)[C@H]1C2	1881840879	PDGYZCUGCZBQQV-FSDSQADBSA-N	225.697	-0.032	50	10	BBGE	
O=C(NCB(O)O)c1cnc(Cl)s1	1882496709	XYPJONGVSWYTBN-UHFFFAOYSA-N	220.446	-0.462	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883645539	PTHIZCVTXADXGG-DBRKOABJSA-N	207.657	-0.528	50	10	BBGE	
COCCNCC(=O)NC[C@@H]1C[C@@H]1Cl	1893107021	JSDUVIACOCYGIV-YUMQZZPRSA-N	220.700	-0.034	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)C[C@]12CCOC2	1894245757	WPYWHUKHMPGERV-XCBNKYQSSA-N	227.264	-0.854	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)c1ncc[nH]1	1901359019	WLHHYFANMCRETL-UHFFFAOYSA-N	246.292	-0.274	50	10	BBGE	
O=C(C#CB(O)O)N1CC=C(C(F)(F)F)C1	1901737921	SXKUPCYJRLJCTM-UHFFFAOYSA-N	232.954	-0.667	50	10	BBGE	
CCCNC(=O)CCN1CC[C@@H](B(O)O)C1	1902505748	LMYFYEVGSUTDNH-SECBINFHSA-N	228.101	-0.549	50	10	BBGE	
CN(C)S(=O)(=O)N1CC[C@H](N=C=O)[C@@H]2C[C@H]21	1902998271	UFPBQSSARYWHMW-XHNCKOQMSA-N	245.304	-0.409	50	10	BBGE	
CN(C(=O)Nc1ncccc1B(O)O)C1CCC1	1913662431	CBVKPGOIUXNTTQ-UHFFFAOYSA-N	249.079	-0.222	50	10	BBGE	
CN(CCF)Cc1ccc(B(O)O)cc1F	1917268491	LMIZXJMDAHQDGX-UHFFFAOYSA-N	229.035	-0.093	50	10	BBGE	
CCN(CCCO)C[C@@H]1C[C@@H]1C(=O)NN	1927913709	MDIOVDJHVCYLBS-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](OCC(N)=O)C1	1928132741	MAUCMEFYHLHEIF-RNFRBKRXSA-N	234.683	-0.284	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@]2(CO)C[C@]2(CO)C1	1928562833	TWBBSCMLQQNVOM-BBBLOLIVSA-N	230.695	-0.206	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2ncnn2C)C1	1928754717	DTECMTOYKFTROW-HTQZYQBOSA-N	229.715	-0.174	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2ncnn2C)C1	1928754718	DTECMTOYKFTROW-JGVFFNPUSA-N	229.715	-0.174	50	10	BBGE	
CN(CCCO)CC1(C(=O)NN)CC1	1931265917	XODYCWGZQMKFNW-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
CO[C@]1(C)CCCN(CC(=O)NN)CC1	1931666953	LJACBAXOMGXSAH-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
CCOCCN(CC)CCOCC(=O)NN	1936537592	UUDRPYAINYTBTH-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2CC[C@@H]3O)CC1	1945883023	RWEWXDZWOSOOTB-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
CC[C@H]1COCCN([C@@H](COC)C(=O)NN)C1	1948710506	YOFZVNKONIJKEZ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@H](O)CBr	1953623560	UZDLXJXADNLBIU-PHDIDXHHSA-N	239.113	-0.452	50	10	BBGE	
O=c1nc(CNS(=O)(=O)CCCl)[nH]o1	1956988102	TXBULXGXUFEUOF-UHFFFAOYSA-N	241.656	-0.979	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1C(=O)NCB(O)O	1959180006	CJRFXDUUNYKGQR-INEUFUBQSA-N	224.975	-0.297	50	10	BBGE	
Cc1nc(N2CCCO2)ccc1B(O)O	1961717918	ICYIVJMNKZUWEP-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
COCCOCC(=O)N1CCC(B(O)O)CC1	1964500073	GMCSHORETSEEJY-UHFFFAOYSA-N	245.084	-0.885	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1972412184	HOSJWKOLZADOEY-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCn2nnnc2C1	1974681932	UFBPLVCVNXBVTK-NTSWFWBYSA-N	229.671	-0.269	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1ccnn1C	1974785274	KBPAGSOZYDUKQI-SSDOTTSWSA-N	247.707	-0.061	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1976931817	JXKTYVNIKYCZEN-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
CC[C@H](C(=O)NN)N(OC)C1CCOCC1	1978746115	OQSJENSZUISUKJ-SECBINFHSA-N	231.296	-0.203	50	10	BBGE	
CNC(=O)N[C@H]1CCCN(C[C@H](O)CCl)C1	1978819393	BGDOWYLKTDPIIG-DTWKUNHWSA-N	249.742	-0.021	50	10	BBGE	
CCOC1(C(=O)O)CN(C(=O)NN(C)C)C1	1980932628	QOSWWUTTXKFFNM-UHFFFAOYSA-N	231.252	-0.652	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)CCCl)C[C@@H]12	1981053090	DUOILYPWDOTTDU-LURJTMIESA-N	245.666	-0.622	50	10	BBGE	
Cc1cnc(O[C@H]2CCOC2)c(B(O)O)c1	1981424052	NDXWBQYOPQOCMP-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
Cc1ccn(-c2cc(C)c(B(O)O)cn2)n1	1981455047	UEAHFYCAQJVEKL-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@]1(C)CCOC1	1982705275	QLAQCDIZMQIXCC-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C=CS(=O)(=O)C=C1	1983342621	WDBPRPJDAIZBHA-SFYZADRCSA-N	243.288	-0.715	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@@H]2CCOC[C@H]2C1	1984480466	CCIWLPZPEHBLQG-IVZWLZJFSA-N	227.308	-0.406	50	10	BBGE	
CO[C@H](C)COCc1ccc(B(O)O)cc1	1986048360	ANUCLLVHPCUZFN-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]2CF)c1	1986083969	FXTFSZMKNVESAW-NSHDSACASA-N	223.056	-0.090	50	10	BBGE	
CC(C)(C)[C@H]1[C@H](O)CCN1CCC(=O)NN	1986723023	NQUZPSADFDACEO-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
Cc1nnccc1C(=O)NCC=CB(O)O	1991326087	CPUYRSGAPNKWGA-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
C=C(CN(C)CCS(=O)(=O)CCC)B(O)O	1992144783	DJVZBCVUNJALQH-UHFFFAOYSA-N	249.141	-0.689	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(CO)C1	1992490862	SYZVMKXCNDGDHU-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CCN1CC12CC(C(=O)NN)(CO1)C2	1993891146	NCJMROWTUYWSLC-MFAVDMRSSA-N	225.292	-0.380	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CNCC[C@H]1C	1999919375	KHJYNMXZCYINTA-SCZZXKLOSA-N	242.323	-0.917	50	10	BBGE	
NNC(=O)CCN1CCO[C@@]2(CCCOC2)C1	2002822827	PMPGZDZWJGFCHU-NSHDSACASA-N	243.307	-0.752	50	10	BBGE	
Cc1nccn1Cc1c(C(=O)NN)cnn1C	2003505611	FAEALSHMGFMRSJ-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2C(=O)C(=O)NN)o1	2004410386	XWDXZBYQHRRHNX-LURJTMIESA-N	239.235	-0.969	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)CC(C)(C)C1)C(=O)NN	2004908460	CGANEUMMVNCRGS-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
COCC(C)(C)N(C)c1ncncc1B(O)O	2004913965	KHGXOCYILFRERG-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CCCc1nccn1-c1ncc(B(O)O)cn1	2005007533	INDRYCLARACREB-UHFFFAOYSA-N	232.052	-0.705	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H](CCO)C1	2005060215	HTDDMIBELAOJIQ-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H](C(=O)O)CC[C@H]1C	2007196973	IAQUKCLPLKKFKI-SVRRBLITSA-N	243.263	-0.909	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@H]32)o1	2013467441	DJBXZNLRNRAEOD-VXNVDRBHSA-N	237.259	-0.286	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1[C@H]2COC[C@H]21	2015138557	SOEDOUOUQNDXTH-MYJAWHEDSA-N	234.060	-0.362	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](CO)C12CC2	2016082211	ZVJBLFLBNXRXJD-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OC(C)(C)C1	2019216045	ZFTHDORJXJHLQK-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)CCCCOCC1COCCOC1	2024299835	MXDAHHJTVBSQRS-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
COc1c(Cl)cc([N+](=O)[O-])cc1B(O)O	2060017977	JEUGAOUTGZZADO-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=Cc1cc(B(O)O)cc(OC(F)F)c1F	2060263094	HKNPWCZFLNSUOQ-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
Cc1nc(NC(=O)[C@]23CC[C@H]2C3)ncc1B(O)O	2069481191	QZEKXMGDRVZDEC-CPCISQLKSA-N	247.063	-0.797	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@H]1C[C@H]1C(=O)NN	2072626149	XFZJQPMOEFZXDN-NXEZZACHSA-N	249.318	-0.157	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)[C@H](C)CO1	2210632347	XANDFXGSQRHNSO-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
CN(C)[C@@H]1CN(CCC(=O)NN)CC12CC2	2211494090	YZQNWYRDSOCJEE-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CC(C)[C@H](C)CN=c1ncc(B(O)O)c[nH]1	2212604799	ZALKFSOQFLRYLV-MRVPVSSYSA-N	223.085	-0.718	50	10	BBGE	
Cc1cnc(N(C)CC(F)F)cc1B(O)O	2212606481	UWGPJKBEUBQDHN-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CCC(=O)N2)C1	2216173463	SYDZCDAVADGDMG-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
NNC(=O)C1(CN(CCCO)C2CC2)CCC1	2216495446	OHLFPBIYYJWINU-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1C[C@H]2C[C@@H]2C1	2216546592	HPZIXJUBAKMROW-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
CN1CC2(CCN2C[C@@H]2CC[C@H]2C(=O)NN)C1	2216595413	PQUXLSJPIOWVCD-VHSXEESVSA-N	238.335	-0.608	50	10	BBGE	
NNC(=O)CCN1C[C@H]2COC[C@@H](C1)C2(F)F	2217042002	COEBRYMINGAHGY-OCAPTIKFSA-N	249.261	-0.420	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC=CCO1	2217176616	YSIIQXWOBUXVFK-VIFPVBQESA-N	234.064	-0.482	50	10	BBGE	
N[C@@H](CNc1cc(B(O)O)ccn1)C(F)(F)F	2217176977	CQTPIBYTEVHWQN-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
N[C@H](COc1ccc(B(O)O)cn1)CC(F)F	2217189098	XZIMREJQVZLMOV-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
CN[C@@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217196715	UAPWFRNRVBBVPI-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
Cc1ncc(CNc2ncc(B(O)O)cn2)o1	2217200585	AEVPTOHLBBVEQF-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
C#CC[C@H]1CCN(c2ncc(B(O)O)cn2)C1	2217201160	OKLUZGFPTXPOHU-VIFPVBQESA-N	231.064	-0.994	50	10	BBGE	
Cc1cnc(N[C@H]2CCCC[C@@H]2N)cc1B(O)O	2223642199	ZAZINQAXTJRCAV-QWRGUYRKSA-N	249.123	-0.248	50	10	BBGE	
Cc1cnc(NCC2=CCOCC2)cc1B(O)O	2223649788	DBRHCMVJQZWYPJ-UHFFFAOYSA-N	248.091	-0.172	50	10	BBGE	
Cc1cnc(N2C[C@H]3COCC[C@@H]32)cc1B(O)O	2223652035	FVPJEANACXEWLR-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)C2CNC2)cc1B(O)O	2223653488	RYMSYDPSURNPDC-SECBINFHSA-N	249.123	-0.886	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCNCC23CC3)c1	2223664769	ZQLPBGDKQRBJHT-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(c2ncccc2B(O)O)C1	2223668216	XPSBAUWPMZGUBY-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
N[C@H]1CCCC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2223668967	DLWBNEIZDYGBDW-ONGXEEELSA-N	249.123	-0.887	50	10	BBGE	
CC[C@H]1CC[C@@H](Nc2ncccc2B(O)O)CN1	2223672239	ACYXTVPGLFWNHI-VHSXEESVSA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]3CC[C@@H]3C2)[nH]c1	2223673091	WGVPTEHNQKKGML-OWUUHHOZSA-N	247.107	-0.574	50	10	BBGE	
CN(N)C(=O)C1CC(S(C)(=O)=O)C1	2241660010	OHJNJMGGUVKIAT-UHFFFAOYSA-N	206.267	-0.858	50	10	BBGE	
NNC(=O)C1CCN(C(=O)CF)CC1	2242290888	ZMSGJSGWISBBSO-UHFFFAOYSA-N	203.217	-0.816	50	10	BBGE	
CN(C(=O)c1sncc1B(O)O)C1(C)CC1	2243386021	SSSLVQXWITVXCG-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C[C@@]1(CN)CCCN1C(=O)C1(B(O)O)CC1	2243409801	PFSNCAHNCNFPCP-VIFPVBQESA-N	226.085	-0.667	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)C1(B(O)O)CC1	2243410077	VCRFUCUDKVOGEQ-QMMMGPOBSA-N	227.069	-0.777	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243414584	DHBLAEZKGJRLGD-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](C(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2243753643	XOOMBQUKVXPYBS-GRQBKTHUSA-N	229.041	-0.829	50	10	BBGE	
Cc1nn(Cc2ncco2)c(C)c1B(O)O	2245243519	ZKKNITURBMAJOF-UHFFFAOYSA-N	221.025	-0.784	50	10	BBGE	
CCCN(CC)C(=O)c1ncc(B(O)O)cn1	2247746424	YQRYVMQKKVUEBL-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
O=C(N1CC[C@@H]2CCO[C@H]2C1)C1(B(O)O)CC1	2247749906	BKOPWFCPPAMYTP-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CC(C)CC1(O)CN(C(=O)C2(B(O)O)CC2)C1	2247750277	GZODZNIJQIWLCJ-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1OCC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247755357	JJINPFOOZKMMMA-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ncccc1B(O)O	2247772510	VVFNRKBUWRZCQX-IONNQARKSA-N	234.064	-0.758	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1O	2247787277	MVJHKOVBDNNGHQ-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](CO)C1)[C@H]1C[C@@H]1B(O)O	2247804564	HMHHUDAIFNJZDR-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CCOCC2)C1	2247805090	AUYCZESZMNOQEW-RKDXNWHRSA-N	239.080	-0.512	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@H]1CNC2	2247806407	MWWHOGOFNUGRKM-AXTSPUMRSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@H]2CO1)C1(B(O)O)CC1	2247853064	FXTCRLKFVZANGW-CIUDSAMLSA-N	239.080	-0.465	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1C[C@@H]1F	2247853180	HKOLVLVWDDYGKX-XPUUQOCRSA-N	241.027	-0.644	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CC[C@@H]21	2247868407	FZRUFORXHFDYFG-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CC1(C)CC(NC(=O)c2coc(B(O)O)c2)C1	2247871593	DRWGNDFOQOACSS-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CCC1CN(C(=O)c2ccncc2B(O)O)C1	2247872314	QCYXYOLPWNJNRE-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
O=C(N1CC[C@H]2[C@@H]1C[C@H]2O)C1(B(O)O)CCC1	2247874866	QHBXVHGBZJOSTP-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
COC[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877641	CNEFCNCXSCLEON-DTWKUNHWSA-N	241.096	-0.218	50	10	BBGE	
C[C@]12CO[C@](CNC(=O)[C@H]3C[C@@H]3B(O)O)(C1)C2	2247886314	ANISCJBFJNLLKA-MPKXCIJOSA-N	239.080	-0.465	50	10	BBGE	
Cc1ncc(NC(=O)C2CC(B(O)O)C2)cn1	2247892736	GYEGNZZAZVYWBD-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
Cc1c(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cnn1C	2247896502	ZBTATBWXEGYHPR-BDAKNGLRSA-N	237.068	-0.792	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCC#CB(O)O	2250002966	RCKNOPYQDIMOPW-LMLFDSFASA-N	235.092	-0.200	50	10	BBGE	
C#CCCN(C)C(=O)c1ncc(C)cc1B(O)O	2255557990	DSRMWJHMGONVPQ-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOc2ncccc21	2255579657	UBSZYTPBNUMBFG-SFYZADRCSA-N	248.047	-0.330	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CCC[C@H]21	2255690866	IQSFPBKCLFQUJI-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(F)c(B(O)O)c1	2255723753	IBXPYACWUDYXTF-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
C=C[C@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255747549	MUKSREAZYHZEQV-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
C#C[C@@H](C)CNC(=O)Nc1cccc(B(O)O)c1	2255890927	RJPBTXIPIBRTBP-SECBINFHSA-N	246.075	-0.243	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1CC[C@H]2C[C@@H]21	2258130123	BOOXCBAMVTZSRX-UJNFCWOMSA-N	249.075	-0.170	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cocc3B(O)O)[C@H]1C2	2258143061	UJUGFXYGXZYSCB-UBHAPETDSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CC[C@H]2C1	2258152650	HOYJOMWPTDDYRV-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
Cc1cnc(OC2(C3CC3)COC2)c(B(O)O)c1	2260133373	XQNKZRVQOQAVJI-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298532686	PYMUHTSTTINNIA-JGVFFNPUSA-N	233.032	-0.640	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@H]2C[C@H]1CO2	2300367183	BRTAZVVTKXIQQH-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2301503179	SJMZODZKNYESNW-VCMDJLOCSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CC(CO)CO	2302022280	ITJIQHNPYLHZTL-VIFPVBQESA-N	247.339	-0.932	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	2302024131	TXQYRZWJMKFJDO-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)[C@H]1CCOC1	2303835556	YPAIANYDXCKQDS-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1cc(N2CCC[C@H]2CF)ncc1F	2303836792	RKSDUXCSPPUASP-ZETCQYMHSA-N	242.034	-0.161	50	10	BBGE	
C[C@@H]1[C@H](N)CCN1c1ccc(B(O)O)cc1C#N	2317168698	XPILSTWWLZSAPA-LDYMZIIASA-N	245.091	-0.836	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCOC1	2317200956	NEZCISFESUSWRV-VIFPVBQESA-N	247.059	-0.347	50	10	BBGE	
NC(=O)CN1CCCN(C(=O)CCCl)CC1	37833965	RJPCSJRSNWQHQL-UHFFFAOYSA-N	247.726	-0.365	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCl	37834217	RNLFQGAQTZEHIF-PHDIDXHHSA-N	220.656	-0.938	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)c1ccncc1	49828082	JASGLUQXACSURO-SECBINFHSA-N	236.275	-0.174	50	10	BBGE	
C[C@H](O)CN(C)CCCCC(=O)NN	82468171	ADEJZNDZMFHYFG-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
COCCN(CCCC(=O)NN)CCOC	82470553	BLNMLEPRFGQFRZ-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1CCNCC1	82471252	PCHJLEANEPCQTA-VIFPVBQESA-N	228.340	-0.171	50	10	BBGE	
CC(C)[C@H](Sc1nncn1C)C(=O)NN	82471945	JBBAGBRLCCHTCH-LURJTMIESA-N	229.309	-0.078	50	10	BBGE	
CNC(=O)c1ccn(CCCC(=O)NN)n1	82878024	NBERJOMWKNZNMB-UHFFFAOYSA-N	225.252	-0.987	50	10	BBGE	
CN(C)C[C@H]1C[C@H](O)CN1C(=O)CCl	85082795	VTOATKFKMDXMPG-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
C[C@H](Sc1ncn[nH]1)[C@H](C)C(=O)NN	86313892	WPJHEGDPKRUPJI-WHFBIAKZSA-N	215.282	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@@H]1C(N)=O	93072087	KZIHNXQIVAZDBL-XHNCKOQMSA-N	242.323	-0.659	50	10	BBGE	
CC[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NN	110560109	DWAWCMOGKZBFPL-SECBINFHSA-N	237.259	-0.067	50	10	BBGE	
CO[Si](C[C@H](CN)CCN)(OC)OC	195751144	HEXHLHNCJVXPNU-QMMMGPOBSA-N	222.361	-0.212	50	10	BBGE	
COc1cccc(B(O)O)c1C1OCCO1	202177862	CVXFJBCZLKREQQ-UHFFFAOYSA-N	224.021	-0.580	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CNC(=O)C1	229035446	BYWDDYOEERHYIQ-RITPCOANSA-N	204.657	-0.134	50	10	BBGE	
NC(=O)NNC(=O)CCOCC(F)F	232351729	WGCAQBGNDHLNGI-UHFFFAOYSA-N	211.168	-0.642	50	10	BBGE	
COC[C@H](Sc1nnc(N)s1)C(=O)NN	232421491	GRQMQRPSDIOMRS-VKHMYHEASA-N	249.321	-0.783	50	10	BBGE	
Cc1nccn1-c1cc(B(O)O)ccn1	238499542	XCNQKEGVYJTTKF-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	250963910	AVGXXIKCNQLUAF-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
CN(N)C(=O)c1ccc2c(c1)NC(=O)CO2	259014052	ORPJEWYUWVTUDL-UHFFFAOYSA-N	221.216	-0.037	50	10	BBGE	
Cc1cc2c(cc1[C@H](N)C(=O)NN)OCO2	259030707	RHKKUMYMYORDHP-VIFPVBQESA-N	223.232	-0.287	50	10	BBGE	
CN(C)C(=O)CSCC(C)(C)C(=O)NN	300853324	OBRJUENHDFIZSH-UHFFFAOYSA-N	233.337	-0.176	50	10	BBGE	
C[C@@H](SCC(=O)N(C)C)[C@H](C)C(=O)NN	300857354	OQAHAOIOCCLUSC-NKWVEPMBSA-N	233.337	-0.178	50	10	BBGE	
C[C@@H]1CCSCCN1CC(=O)NN	307002503	CFOXWQYRZREZEW-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@H]1C	310180559	SZLQHLODCVGTAV-OPRDCNLKSA-N	244.339	-0.984	50	10	BBGE	
Nc1cc(F)c(B(O)O)cc1OC(F)(F)F	321771957	XYBQDVNHKUVKFD-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COC(=O)/C(C#N)=C1/NC(=O)CC[C@@H]1C#N	383931867	ZHXJBCQKSWJZKB-LPWOPMKCSA-N	219.200	-0.013	50	10	BBGE	
CCCC1(O)CN(CCCCC(=O)NN)C1	384107144	GMXFTFINARCKHH-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CN(CCCCO)C[C@H]1CC[C@H](C(=O)NN)O1	384819603	LSEXIASHIMFGEP-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
COC(=O)c1ccc(CCC=O)cc1B(O)O	396140390	WABOSLDEBPGOHL-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1sc2ccc(B(O)O)cc2c1CO	396247373	SWBHREQFOCOWMR-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1ccc2sc(B(O)O)c(C=O)c2c1	396270750	HYPUVVJVQXNDAP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@H](C)C(=O)Nc1cc(C)cc(B(O)O)c1	404921156	UZXQMFLKXSXIMZ-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
Cc1cc(C(=O)Nc2cc(B(O)O)ccn2)no1	405038895	VREPOVGCCSHNHW-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(C)[C@@H](CO)C1	687597745	TVEGHRRGCRLKRU-RKDXNWHRSA-N	234.727	-0.004	50	10	BBGE	
C/C(=C/CN)C(=O)N1CCC(O)(C#N)CC1	692482331	YYZBOTLRUCWBIM-MBXJOHMKSA-N	223.276	-0.232	50	10	BBGE	
COCCN(CCF)[C@@H](C)CC(=O)NN	697054874	JDHLURRFHIGCLN-QMMMGPOBSA-N	221.276	-0.327	50	10	BBGE	
CN1CCC(Oc2ccccc2B(O)O)CC1	697644494	UWOFYFGIXKSBAQ-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
COCC(COC)N(C)[C@H](C)[C@@H](C)C(=O)NN	702035571	OZQVJRDZRNGZBS-RKDXNWHRSA-N	247.339	-0.406	50	10	BBGE	
NC[C@@H](O)CC(=O)N1CCSSCC1	703355173	JHUJXGRPBKKKFG-ZETCQYMHSA-N	236.362	-0.080	50	10	BBGE	
CC(C)(C)CCOCn1cc(B(O)O)cn1	703743172	YQTNDBKRQVVHQK-UHFFFAOYSA-N	226.085	-0.027	50	10	BBGE	
CNNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1	704676176	KJZRKJRRWNKDFA-QMMMGPOBSA-N	228.296	-0.369	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	705217318	NXZCLJIAYINGGV-KCJUWKMLSA-N	249.075	-0.413	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(n2ccnc2)C1	707388525	KZPXPTAJBMGKHN-JTQLQIEISA-N	237.307	-0.102	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CN(C)CCO1	709402443	FBTIZOPCBSYUMM-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
O=C(CCCl)NCc1cn(C2CNC2)nn1	722409855	ICHUZUPBNYCHLF-UHFFFAOYSA-N	243.698	-0.333	50	10	BBGE	
COC/C(C)=C/C(=O)NNC(=O)c1cnn[nH]1	845442932	LIPDKHFHDCODCU-ZZXKWVIFSA-N	239.235	-0.842	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)NC	847384586	RENHQNWBNHPUMM-QMMMGPOBSA-N	203.242	-0.645	50	10	BBGE	
C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)O)C1	847856760	RMMYEIQFXUGCBG-QMMMGPOBSA-N	243.307	-0.754	50	10	BBGE	
CC(C)[C@H](C)C(=O)NNC(=O)c1cn(C)nn1	855186454	VTOIQGKKVSRWSO-ZETCQYMHSA-N	239.279	-0.132	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)[C@H]1CCCO1	857170694	RVONFEKYANWRID-JGVFFNPUSA-N	230.264	-0.669	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C(=O)N1C	885828939	VCOYPYQRAKXHRQ-ZCFIWIBFSA-N	200.242	-0.878	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cn(C)c(O)n1	910145823	WJYYKVFCVHKELJ-ZCFIWIBFSA-N	228.252	-0.917	50	10	BBGE	
O[C@H]1CO[C@H]2[C@H]1OC[C@H]2Br	1084230737	CYDSHUXBYGPGJA-MOJAZDJTSA-N	209.039	-0.092	50	10	BBGE	
O=C(CCc1nc[nH]n1)NNC(=O)NC1CC1	1142319268	QCJGEZAGPFSIOH-UHFFFAOYSA-N	238.251	-0.770	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1cc[nH]n1	1470050282	PHKSYMMAGGUOAH-UHFFFAOYSA-N	234.219	-0.933	50	10	BBGE	
O=C(Cc1nc(C2CC2)n[nH]1)NNC(=O)C1CC1	1618145600	RQBBWIUTUIOUNJ-UHFFFAOYSA-N	249.274	-0.218	50	10	BBGE	
COCCN(C)NC(=O)Cn1ccnc1C	1623884909	VWUHSGBBYMJBIG-UHFFFAOYSA-N	226.280	-0.199	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=S)NC(C)C	1624260163	PTWAOSWUPHXJIL-QMMMGPOBSA-N	244.364	-0.016	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H](CO)[C@@H](C)O	1881838610	UUPHSLLDTCDZEC-QYNIQEEDSA-N	209.673	-0.138	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](NC(=O)F)C1	1882786975	GQTMEWWEDCFCJS-RXMQYKEDSA-N	210.230	-0.301	50	10	BBGE	
C[C@H](CN1CC(C)(CF)C1)C(=O)NN	1885054764	UPMXUMMFSVHNFN-SSDOTTSWSA-N	203.261	-0.096	50	10	BBGE	
O=C(CCCCl)N1CC[C@H](O)[C@@H](O)C1	1887705462	WXDYZOCGIRCCLQ-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@H](O)C1	1893453959	RUXILGZWEIMKTN-PRJMDXOYSA-N	219.668	-0.167	50	10	BBGE	
O=C(O)COCCNC(=O)[C@@H]1C[C@@H]1Cl	1893475388	SSUXHKMQYBYECX-RITPCOANSA-N	221.640	-0.169	50	10	BBGE	
CCC(=O)N(C)C1CN(C(=O)NN)C1	1893693650	HWDOWTZSCHBDEP-UHFFFAOYSA-N	200.242	-0.878	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(=O)N[C@@H]2CC[C@@H]21	1897227240	PCWRGLJJHFUGAN-OHUBKANTSA-N	242.662	-0.203	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H]3CCC[C@@H]32)n1	1902643210	XVPLGECZAHHIIX-YUMQZZPRSA-N	238.121	-0.193	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]2CF)ncc1F	1903009780	HKZCBPDGISIJHZ-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
Cc1nn(C[C@H]2C[C@@H](F)C2)c(C)c1B(O)O	1905093415	DFWSVJOIVVREQJ-DTORHVGOSA-N	226.060	-0.072	50	10	BBGE	
CC(C)COC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1905725854	DENDCFZHJQLKSQ-GXSJLCMTSA-N	241.335	-0.031	50	10	BBGE	
CN1CCC[C@@H]1C(=O)NNC(=O)C(F)(F)F	1923409362	RGHIJFIUYTWQCZ-RXMQYKEDSA-N	239.197	-0.210	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)CCl	1923928606	IAZWUIAXOGVNMQ-SCSAIBSYSA-N	214.674	-0.982	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](CF)C1	1927908096	MXQQDYHLWIDGRL-HRDYMLBCSA-N	215.272	-0.096	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)[C@H](C)C[C@@H]1O	1930115490	HBUVQKVKHLBQGC-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CN(Cc1cnnn1C)C[C@H](Cl)C(=O)O	1934944395	HWPLKIVYASYGLZ-ZETCQYMHSA-N	232.671	-0.061	50	10	BBGE	
C[C@@H](CSc1nnc2nc[nH]n12)C(=O)NN	1935693871	PPMLFEAFBHAHKN-BYPYZUCNSA-N	241.280	-0.830	50	10	BBGE	
O=C(CCn1cnnc1)N[C@@H]1COC[C@H]1Cl	1937144897	HEAXWDPXVIRDIO-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CCO)C2)CC1	1938247145	PJWKGECJODLNHA-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)[C@@H](C)CC(=O)NN	1940292455	XCLUQBPIZQORLE-GUBZILKMSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COC[C@H]2C1	1941089913	MFPYCWOWXGBTNT-LNFKQOIKSA-N	239.319	-0.419	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CCCO2)c1	1942621064	MOTJLAAPULLYDV-UHFFFAOYSA-N	237.064	-0.488	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1OCCOCC(=O)NN	1947168423	IBKONSRRNLGSHX-UWVGGRQHSA-N	246.307	-0.175	50	10	BBGE	
CC[C@@H](O)CN(CC)CCC(=O)NN	1955921719	YDMDUSZWMLVXCX-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CCN(C(=O)NN)[C@H](C)CS(C)(=O)=O	1956773929	JDOHCCPPEUUXMX-ZCFIWIBFSA-N	223.298	-0.675	50	10	BBGE	
ClC[C@H]1C[C@H]1N=c1ccc2nnnn2[nH]1	1957827157	ZTGDWMFEVHPMKW-PHDIDXHHSA-N	224.655	-0.020	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1C(=O)NCB(O)O	1959180007	CJRFXDUUNYKGQR-NJGYIYPDSA-N	224.975	-0.297	50	10	BBGE	
Cc1nc(Cl)ncc1C(=O)NNC(N)=O	1961180919	QTPJGUICJJLNSP-UHFFFAOYSA-N	229.627	-0.248	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ncccc1B(O)O	1961777515	IZIJPNYPRPFNTK-VXNVDRBHSA-N	206.054	-0.394	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCN2CCC[C@H]1C2	1978623952	SSYVEXMORIMDSS-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CN(CC(=O)NN)Cc1cnn2c1CCC2	1979923807	YVADOBMKQMDOIP-UHFFFAOYSA-N	223.280	-0.749	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CO[C@H]2C[C@@H]1C2	1986053136	KKIBWSWLBZZGHJ-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCCn1cccn1	1986445578	NAPUZMDKDWJHNP-BDAKNGLRSA-N	224.264	-0.474	50	10	BBGE	
CO[C@@]1(CN(C)[C@H](C)C(=O)NN)CCSC1	1987015727	VLTJXEQTUGOCPL-PSASIEDQSA-N	247.364	-0.181	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]1C1CCOCC1	1989439031	AZJNQXULJUEWOS-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2COCC[C@H]21	1989934095	AUHJNIULCVWBAB-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CC[C@H](CCOC)C(=O)NCC=CB(O)O	1991333219	SQYSUFRDTSENLX-SECBINFHSA-N	229.085	-0.267	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)ccn1	1991336844	KYGUKZOEVMTSBO-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
N[C@]1(CO)CCCN(C(=O)C=CC(=O)Cl)C1	1991647942	JRTXUJKKSOWVOO-SNVBAGLBSA-N	246.694	-0.380	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@H]2COC[C@H]21	1996486115	XTEKLFLCMUIKQE-JLIMGVALSA-N	243.307	-0.900	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1CC[C@@H](F)C1	1998136029	WERVRZNDHFEERT-RRKCRQDMSA-N	247.031	-0.833	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)[C@@H](C)C1	2000984835	SQQZCWXBEIFZEY-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
CCOc1cnn(-c2ccncc2B(O)O)c1	2005003986	BHLZXKJTIQKDRW-UHFFFAOYSA-N	233.036	-0.654	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C(=O)O)C(C)C	2006410460	KXYLRDAJFGBANR-SECBINFHSA-N	245.279	-0.805	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2008047906	TWMPDYKJPRCOCA-ZYUZMQFOSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1cc(C(=O)NN)co1	2011153648	HFYOLMFAIPIROU-XVKPBYJWSA-N	239.275	-0.162	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)C2(CC2)C1	2014771078	DMEGUCPVHJKCGI-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
COC[C@H]1CCN(CCCCC(=O)NN)C1=O	2018141099	KRRUNPUHYINEJJ-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C12CC(CO1)C2	2020056246	JEAYHLYWTQNLQS-DMGUCSGOSA-N	237.064	-0.618	50	10	BBGE	
CC1(C)OC[C@H](N)[C@H]1N1CCC(O)(C#N)CC1	2023407986	ORSZNWZXJWJWMA-VHSXEESVSA-N	239.319	-0.158	50	10	BBGE	
Cn1cnc2c1CCN(CC1(C(=O)NN)CC1)C2	2050968158	VNLFRDWWUSGJEH-UHFFFAOYSA-N	249.318	-0.452	50	10	BBGE	
CCN(C)C1CN(c2ncc(B(O)O)cc2C)C1	2052619822	KHQBIPCPIAOVIH-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
N#Cc1cc(Cl)cc([N+](=O)[O-])c1B(O)O	2060099623	ABDGKCLFNRHOKF-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCc1ccc(C=O)c(B(O)O)c1OC	2060159829	XRDHEMUYNKYNKW-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1cc(OC)c(C#N)c(B(O)O)c1	2060203782	LIQCNFYYEYJMAR-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
N#Cc1ccc(C(=O)NCC#CB(O)O)c(F)c1	2077414466	NNMWWPAKSUJGSU-UHFFFAOYSA-N	246.006	-0.557	50	10	BBGE	
NNC(=O)CCSC1CCNCC1	2209391168	HDMTXXTZJJKLOK-UHFFFAOYSA-N	203.311	-0.148	50	10	BBGE	
Cc1nc(=NC(=O)NC(=O)CCl)[nH]o1	2210100087	NHGUNLMGEZHCCA-UHFFFAOYSA-N	218.600	-0.313	50	10	BBGE	
CN1CC2(CCN2CC2(C(=O)NN)CC2)C1	2212300236	AQTBRRZDCJEOPX-UHFFFAOYSA-N	224.308	-0.854	50	10	BBGE	
C=CCC[C@H](C)Nc1ncc(B(O)O)cn1	2212614626	FTGHBKZIXIUTKA-QMMMGPOBSA-N	221.069	-0.077	50	10	BBGE	
CN(C)C(=O)Nc1nc(B(O)O)ccc1Cl	2212765985	WJACQENKBIMZSQ-UHFFFAOYSA-N	243.459	-0.492	50	10	BBGE	
Cc1cccn(Cc2cc(B(O)O)cs2)c1=O	2214514283	UGRFTTQCEQCQJG-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)CCC12CC2	2214781717	ZCGJEFPBSRAGFE-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@H]3C[C@@H]2C3)nc1	2216291932	PSHVYCBOUSFXAR-HRDYMLBCSA-N	234.064	-0.419	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](O)[C@H]3C2)CCC1	2216496378	BBSKMJNYIDLHAG-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
CN1CC[C@@H](N(C)CC2(C(=O)NN)CCC2)C1	2216527981	JXXHQRAZSKDRGP-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Oc1ccc(B(O)O)cn1	2217167220	MHUJYJNAIXUANH-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
Cc1c[nH]c(=NCCC[C@@H](C)O)cc1B(O)O	2217183226	JZGKJVVTNMJPOS-SECBINFHSA-N	238.096	-0.935	50	10	BBGE	
C[C@@H]1CC[C@H](Oc2ncccc2B(O)O)CN1	2217185372	WCVKGSKAQWWFNY-BDAKNGLRSA-N	236.080	-0.719	50	10	BBGE	
CC[C@@H]1CNC[C@H]1Oc1cc(B(O)O)ccn1	2217189487	DWISYIIJDDZHHM-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
N[C@H](COc1cc(B(O)O)ccn1)CC(F)F	2217194413	VXVBRSTWEVSAER-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
Cc1cnc(CNc2ccc(B(O)O)cn2)o1	2217197936	SZHMXCMOVQTFLA-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C=CCCCN(CC)c1ncc(B(O)O)cn1	2217200056	HNNBAHLYFNHHRH-UHFFFAOYSA-N	235.096	-0.051	50	10	BBGE	
CCN1CCN(c2cc(B(O)O)ccn2)[C@H](C)C1	2223625713	FMCLXUBJPAHCDV-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC3(CCC3)C2)c1	2223626202	GZEHGIIZHRPUSS-SNVBAGLBSA-N	248.091	-0.115	50	10	BBGE	
C[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CCN1	2223627802	OBAAIFQWDZETJB-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC[C@H]3C[C@H]32)[nH]c1	2223637328	PNHBACSVGQCMFC-ATZCPNFKSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCC3(CC3)NC2)nc1	2223658310	MBDFONXIZPNDER-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
CC1(C)C[C@H](N)CCN1c1cc(B(O)O)ccn1	2223669112	GARYBBLLBRREIU-SNVBAGLBSA-N	249.123	-0.533	50	10	BBGE	
C[C@@H]1C[C@H](CNc2cc(B(O)O)ccn2)CN1C	2223669172	GYQFZHUDURQIFE-NXEZZACHSA-N	249.123	-0.487	50	10	BBGE	
CN1CCCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223677190	KXMLNPDYQXWQGI-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(B(O)O)cn1)C2	2223678411	BGKFAJWNTIXXCW-LSJOCFKGSA-N	247.107	-0.923	50	10	BBGE	
CCNC(=O)c1scc(C)c1B(O)O	2241480687	NHQKLUANZSBNIN-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
CSCCNC(=O)C1(B(O)O)CC1	2241481191	PRCPKCMRUAIPNL-UHFFFAOYSA-N	203.072	-0.527	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)cs1	2241495260	HXFWFJSYGFRHPN-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
C[C@@H](OC1(C2CC2)COC1)C(=O)NN	2242111574	BKWPGSBZFDJKPF-ZCFIWIBFSA-N	200.238	-0.440	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2242833435	NRURBKUTQOXEJL-FXPVBKGRSA-N	227.308	-0.542	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@H]2C[C@H]2C1	2243377101	USZQWWWYYKIFIF-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
C=C(C)CN(C)C(=O)c1sncc1B(O)O	2243385050	BROZNDAUOYVDTD-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
CCN1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243396128	HZVGCAUSRHSNIZ-ZKCHVHJHSA-N	226.085	-0.940	50	10	BBGE	
CCC[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2243396737	QCNFJMNWEXHTFV-AMDVSUOASA-N	229.085	-0.483	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2243400662	FTOPGCRCXAXPTD-SQQIUAQRSA-N	219.049	-0.838	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)C(C)C	2243408691	SDOXLJAFHCAUOD-UHFFFAOYSA-N	225.053	-0.252	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1cccnc1	2243414646	FQMSAJVAVOMCTD-IUCAKERBSA-N	220.037	-0.093	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](CC)C1CC1)B(O)O	2243427201	RRDVOANYLWJGOO-SECBINFHSA-N	247.125	-0.337	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCOC(F)F)n1	2246680887	MYAZYGIFPDVZAI-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cn1)C(C)(C)C	2247749722	YPEZQWHBRGJZJH-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785098	FWQWQICCNZADOD-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
O=C(NCc1cccnc1)[C@H]1C[C@@H](B(O)O)C1	2247785476	LELKLEANXGJFTI-AOOOYVTPSA-N	234.064	-0.049	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787216	MEIGZNAABUQIHL-WCABBAIRSA-N	243.112	-0.237	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796978	FHQQEOYERYWXOE-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CC1(CCNC(=O)c2c[nH]nc2B(O)O)CC1	2247797511	KIISGXMZONKHNC-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@H]1C[C@H]1B(O)O	2247810459	XOBNQWXVVZDGEY-XQNAXGILSA-N	233.076	-0.524	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccc(B(O)O)o1	2247847398	WNRYJVGXOKJKSF-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
COC[C@]1(F)CCN(C(=O)C2(B(O)O)CC2)C1	2247853556	NSGGKZFUANDNNS-VIFPVBQESA-N	245.059	-0.420	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C(C)C)n1	2247853571	OFEALYCZRJGNAY-UHFFFAOYSA-N	236.080	-0.450	50	10	BBGE	
O=C(N[C@H]1CCO[C@H]1C1CC1)C1(B(O)O)CC1	2247855577	UYHBNIOFJBBYTJ-IUCAKERBSA-N	239.080	-0.323	50	10	BBGE	
CCC(CC)[C@@H](O)CNC(=O)C1(B(O)O)CC1	2247874223	KLKQDDJAEWSLPI-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247887187	LFTOANNCHKNZBN-CBQIKETKSA-N	245.034	-0.181	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894177	DBOXFJXPGKWXHG-AEJSXWLSSA-N	243.112	-0.237	50	10	BBGE	
C#CCOCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894203	DGONLAGFXKZSFY-MGCOHNPYSA-N	239.080	-0.605	50	10	BBGE	
C#CCCN(CCOC)C(=O)[C@@H]1C[C@H]1B(O)O	2247900633	YMUQPQZSZSGDSC-NXEZZACHSA-N	239.080	-0.652	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247909778	LMLMYNIBAKVTSX-SQXHDICFSA-N	239.080	-0.610	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCn2ccnc21	2247910949	SJOKHYFOQYRWCF-OCAPTIKFSA-N	235.052	-0.517	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248574048	NGVLIGOVIUDCMR-FXQIFTODSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)[C@H]1C=CCN1C(=O)C1(B(O)O)CCC1	2248589057	LLMPBFWGIXJBMU-SSDOTTSWSA-N	239.036	-0.765	50	10	BBGE	
Nc1cccc(F)c1C(=O)NCC=CB(O)O	2249902262	SKUPGVZHLWRLNI-UHFFFAOYSA-N	238.027	-0.294	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1ccoc1B(O)O	2255461042	BQMNYOLVYAALNH-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255463136	FHBLGQPRFOBZAY-SNVBAGLBSA-N	246.075	-0.774	50	10	BBGE	
Cc1ccncc1NC(=O)c1cc(B(O)O)c[nH]1	2255464086	RFHLSBMIQFIBOA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1C	2255515248	VDCYNTDJRRBLGJ-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1cncc(B(O)O)c1	2255520619	MQGBZWJPAGMONP-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccc(B(O)O)cn1	2255523221	RIIYYIWZOZHGMW-RKDXNWHRSA-N	246.075	-0.710	50	10	BBGE	
Cc1ccc(NC(=O)c2n[nH]cc2B(O)O)nc1	2255549085	PRTXTIGQWSETKR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ccncc1B(O)O	2255693082	FVZGELKVBXFEII-MRVPVSSYSA-N	247.063	-0.864	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ncccc1B(O)O	2255714082	LVWMBKJOIQAKHC-WPRPVWTQSA-N	246.075	-0.710	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ccnnc1	2255723759	IFBGRGTWVWXSBJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CCN(CC)C(=O)c1cccc(F)c1B(O)O	2255724225	MRUVEIWPJQWPMG-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1cncc(B(O)O)c1	2255732976	DLDFZEXFFDIIGH-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)ccc1O	2256013887	JLUNORNJXQMTQE-HTQZYQBOSA-N	247.059	-0.790	50	10	BBGE	
CCCC=CCNC(=O)c1nccnc1B(O)O	2256067486	PSJAPSCOPMNWJD-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
Cc1nnccc1CN(C)C(=O)C1(B(O)O)CC1	2261293374	WTMQUNHGFKUYDJ-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1B(O)O)CC(=O)O	2298463488	GMQYQKSBMSZVES-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1C(=O)O)[C@@H]1C[C@@H]1B(O)O	2298463635	PTPGDCOOGPEVCC-OOJXKGFFSA-N	241.052	-0.781	50	10	BBGE	
CNCCC[C@H](C)Oc1cc(B(O)O)ccn1	2299730666	OWQCKROYOYVLFP-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
C[C@@H](COCCN1CCOC[C@H]1C)C(=O)NN	2301603844	XMBNRRXZCKBETM-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
COc1cc(CN2CC[C@H](B(O)O)C2)ncn1	2303102707	ZJVWIFXYDALPSL-QMMMGPOBSA-N	237.068	-0.466	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317163743	RLNSYXXSBNGWFD-JWYUURKGSA-N	246.075	-0.581	50	10	BBGE	
CC[C@H](C)NC(=O)CCNC(=O)NN	45014863	WLUSGTFGYUIIMY-LURJTMIESA-N	202.258	-0.536	50	10	BBGE	
COc1ccc(CNCC(=O)NN)cc1	58850062	YFWXPMXZYCVLQD-UHFFFAOYSA-N	209.249	-0.225	50	10	BBGE	
CSC[C@@H](C)CNC(=O)C(=O)NN	69016439	BZGFCCXETFUOJB-YFKPBYRVSA-N	205.283	-0.908	50	10	BBGE	
NNC(=O)CCCCN1CCC(O)CC1	82465934	XCAAHGORZZZABY-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	82468993	UFGQXKRXXUYCKW-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O=C1[C@@H](Br)CCN1C(CO)CO	83696045	IKXSXTIPRRTICZ-LURJTMIESA-N	238.081	-0.665	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NCCO	86550498	OHWSUEODZSVHGI-LURJTMIESA-N	215.702	-0.227	50	10	BBGE	
NNC(=O)c1ccc(CSC[C@@H](O)CO)o1	86661878	ZSPHVTUIRSXCMQ-LURJTMIESA-N	246.288	-0.531	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC(N)CC1	110597116	MEUBQVYLSCEQDL-UHFFFAOYSA-N	238.291	-0.194	50	10	BBGE	
Cn1ccc(=O)n(C[C@H](Cl)C#N)c1=O	132592615	DRHSNVJOYUTMGJ-ZCFIWIBFSA-N	213.624	-0.322	50	10	BBGE	
CCC(=O)C[C@@](N)(CCCCB(O)O)C(=O)O	198063461	HHSYBALVIDNQRV-JTQLQIEISA-N	245.084	-0.219	50	10	BBGE	
CN1CCC(=O)N(CCCC(=O)NN)C1=O	216908175	JTYYWXKTAUGHGX-UHFFFAOYSA-N	228.252	-0.959	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](CCO)C1	227444686	PCRWEWVALZJYNZ-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)C1CCC1	228569117	SNJQXVFXMJYKCJ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H](O)C1CC1	232299593	UAZOQWGGTNDKNB-ZETCQYMHSA-N	227.713	-0.085	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CC1	232419404	FVJAKEDMBXWQGE-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)[C@@H](Cc1ccccc1)NC=O	238663184	GUCKTYZPKHQCGV-SECBINFHSA-N	207.233	-0.666	50	10	BBGE	
CCS(=O)(=O)N1CC[C@@H]2C(=O)OC(=O)[C@H]2C1	252739814	HWZJZEFTZBZFQE-BQBZGAKWSA-N	247.272	-0.642	50	10	BBGE	
COC1(CN=C=O)CCS(=O)(=O)CC1	258425247	KFCMXEZRDAWNLD-UHFFFAOYSA-N	219.262	-0.084	50	10	BBGE	
COCC[C@@H](CO)NS(=O)(=O)CCCl	300857256	LSCWSZICGJSWHE-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
COCCN(C)Cc1ncccc1C(=O)NN	302382069	PQLSAJNUWRFFCS-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC(O)(C(N)=O)CC1	306230971	ABNDIQLDRSSRKS-ZCFIWIBFSA-N	234.683	-0.548	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	306960091	BBWZDZDVWGWQCB-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]1CCO	308591435	PBXNWRMFPHFCMW-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
N#Cc1ncn(Cc2ncccc2C(=O)NN)n1	385319949	JEQLEZRSARVWJO-UHFFFAOYSA-N	243.230	-0.803	50	10	BBGE	
COC1CN([C@@H](C(=O)NN)C(C)(C)C)C1	395603276	YUPPSPWVVGDNHX-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
O=C(CCl)Cc1ccc(CO)c(B(O)O)c1	396047021	AXEFYXRYOUZGFD-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
Nc1ccc(CO)c2c(B(O)O)csc12	396255449	VGTNYZNIZDPSKO-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1sccc1B(O)O	404925418	ZPXKZJLYUXALPK-RQJHMYQMSA-N	239.105	-0.300	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	404980871	ILWUMFIKIOMULT-CABZTGNLSA-N	247.103	-0.019	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@@H]1COC(=O)N1	496060394	IMUXVQUGYQECAZ-LURJTMIESA-N	244.251	-0.775	50	10	BBGE	
O=C(O)[C@]1(OCCCl)CCS(=O)(=O)C1	687693111	OLUQANASKABVSU-ZETCQYMHSA-N	242.680	-0.116	50	10	BBGE	
NNC(=O)CCCN1CCSC[C@H]1CCO	689851239	QJMLMRAOQZLWAD-SECBINFHSA-N	247.364	-0.444	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2cc(N)cn2)CC1	692107818	QHZZLLDHPZEWII-UHFFFAOYSA-N	249.274	-0.658	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](N2CCC2)C1	702303357	XCIMMABEJMXLQZ-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
CN(CCN1[C@H]2CC[C@H]1C(=O)OC2=O)C1CC1	703436512	SFTYAXMDGGZUIC-UWVGGRQHSA-N	238.287	-0.003	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(C(F)F)C2)O1	706488748	XASLMEPKGUWDET-SFYZADRCSA-N	249.261	-0.279	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CN(C)CCO1	709402440	FBTIZOPCBSYUMM-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](COCCCC(=O)NN)OC	709962692	ZRRKXAJSVIASQU-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
C[C@H](Br)C(=O)NCC#CCO	717490980	ZYBUVXDQWLIKOW-LURJTMIESA-N	220.066	-0.118	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C[C@H](C)C1	723836889	AWBZONXFLRSSTG-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](Cl)c1[nH]nn[n+]1C1C[S+]([O])(=O)C1	725563589	ORQSCHNTRSSVDJ-BYPYZUCNSA-O	237.692	-0.208	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSC1=O	725663487	URVMNBFMXIKYFU-NTSWFWBYSA-N	215.278	-0.219	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)n1cccc1	753436692	BPRJLTDGAQTGBT-MRVPVSSYSA-N	225.248	-0.421	50	10	BBGE	
C[C@@H]1CC(=NNC(=O)[C@H]2COCCO2)CO1	842528109	PHBDYPFOYLIBKG-VXNVDRBHSA-N	228.248	-0.317	50	10	BBGE	
C[C@@H](NNC(=O)[C@@H]1COC(=O)N1)C(F)(F)F	862321154	YZWVCSCBWNYKMW-DMTCNVIQSA-N	241.169	-0.334	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H](C)O[C@H]1C	864426914	CYNHYUDJGSAVFL-VMHSAVOQSA-N	200.238	-0.033	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@@H](C)CO2)n1C	898975040	GJGHFCUTYCIXFP-SVRRBLITSA-N	239.279	-0.008	50	10	BBGE	
CNC(=O)NNC(=O)C1(C#N)CCSCC1	1119785606	QOAZPGOFWPERIU-UHFFFAOYSA-N	242.304	-0.016	50	10	BBGE	
Cc1nc(C(=O)NNc2nc[nH]n2)c(=O)[nH]c1C	1306853328	QRLNRZCHTHFUAO-UHFFFAOYSA-N	249.234	-0.738	50	10	BBGE	
COC(C)(C)CC(=O)NNC(=O)c1ncon1	1439776695	ZCIGRRZCWISRRE-UHFFFAOYSA-N	242.235	-0.354	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)CS(C)(=O)=O	1454278327	RJWABRXEXRJYJQ-PLNGDYQASA-N	246.288	-0.689	50	10	BBGE	
O=C(CCCc1nn[nH]n1)NN=c1cc[nH]cc1	1466784453	GJGKDMXWYFNAEU-UHFFFAOYSA-N	247.262	-0.517	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCn2ncnc21)C(N)=O	1566497310	PQWAOTXUCJVIBD-ZCFIWIBFSA-N	238.251	-0.803	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C#N)[nH]c1C	1597339891	AGJSRJKHPJTXRS-UHFFFAOYSA-N	221.220	-0.231	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncc[nH]2)n[nH]1	1624378902	FXYNTIFVNZRMKB-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CCc1nc[nH]n1	1643696190	BIRPNUMQLNCYRJ-ZETCQYMHSA-N	227.268	-0.919	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]1Br	1880436647	PYUNKZLECBZJAC-WHFBIAKZSA-N	223.070	-0.617	50	10	BBGE	
C[C@H](C(=O)NNCCO)C(F)(F)F	1882212371	OETNHNDXPVPYNF-SCSAIBSYSA-N	200.160	-0.202	50	10	BBGE	
CCNC(=O)[C@@H]1CNCCN1C(=O)F	1887174289	YFKWFFKOBROUCW-LURJTMIESA-N	203.217	-0.514	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CS	1888554225	JFCHHQLQVJHBEO-UHFFFAOYSA-N	226.323	-0.383	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1893108814	VIRDBVSQBRSGRW-LYFYHCNISA-N	220.700	-0.172	50	10	BBGE	
C[C@@H](OCC1=CCCOC1)C(=O)NN	1893660422	YXODJLJZUUQDEM-SSDOTTSWSA-N	200.238	-0.272	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)CS1(=O)=O	1893840564	YXSCSUNGMPKFCO-RQJHMYQMSA-N	235.309	-0.964	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](F)[C@H](F)C2)nc1	1895126418	TZRZJPMJAWYFLJ-HTQZYQBOSA-N	228.007	-0.742	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCC[C@@H]32)nc1	1896231588	CEVBDLJNBXSKKD-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(C(=O)C=CC(=O)Cl)C1	1897219544	PLUPLSWZZWIILO-HTQZYQBOSA-N	247.678	-0.084	50	10	BBGE	
O=Cc1ccc(OCC(F)F)cc1B(O)O	1901249806	ZQTKJOFBIVBSHU-UHFFFAOYSA-N	229.975	-0.177	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1nc(B(O)O)cs1	1902658109	IMNSEENUGRTDBQ-NKWVEPMBSA-N	243.093	-0.626	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C)CC1=O)C(=O)NN	1912224419	YTWHBGILLBFEJP-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
O=C(NCB(O)O)C1CC2(CCCO2)C1	1912626355	UAOAAPJWNGJFLH-UHFFFAOYSA-N	213.042	-0.926	50	10	BBGE	
Cc1nn(CCCF)c(C)c1B(O)O	1913216209	YKLGJWUHPGTGTK-UHFFFAOYSA-N	200.022	-0.461	50	10	BBGE	
CCCS(=O)(=O)N(C)CCC(=O)NN	1913469169	PQDBTMDPKFZCCI-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@H]21	1928027683	XFOJFPLOLAUPSL-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
CN(C)[C@@H]1CN(c2nnnn2C)C[C@@H]1Cl	1928370384	LPYFSLMHWAOVDV-NKWVEPMBSA-N	230.703	-0.432	50	10	BBGE	
C[C@@]1(F)CCCN(C(=O)C(=O)NN)C1	1932007081	KHCPWTIECSPBHA-MRVPVSSYSA-N	203.217	-0.673	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@@H](O)CCl)C2=O	1932152615	JKZXJVLTUKJGNV-WATHFIQWSA-N	217.652	-0.019	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C2CC2)C1	1933051424	LCUIZJPNDZTYIR-SECBINFHSA-N	213.281	-0.667	50	10	BBGE	
COC1(CCl)CN(S(=O)(=O)N(C)C)C1	1935347671	PSZCFOORQPHMLP-UHFFFAOYSA-N	242.728	-0.268	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936090006	XUXNOBUVKRFNPX-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C[C@H]1F	1937156667	ATHQLOIAJJBQMT-BZNPZCIMSA-N	231.271	-0.719	50	10	BBGE	
COc1ccc(CC(=O)NNCCO)cc1F	1944215785	MYEXYFIZQPAXHZ-UHFFFAOYSA-N	242.250	-0.010	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H](O)[C@H](F)C1	1944307184	HIGKTDHWNARXRR-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@@H](O3)C2=O)CC1	1945893800	RRIQWBFFHOMJRN-HTQZYQBOSA-N	239.275	-0.854	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)[C@H](O)CCl	1951634322	DLOALPZSEVJCSX-PHDIDXHHSA-N	216.686	-0.618	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@@H](C)C(=O)NN	1959806473	OZPQNDJBSJUFEI-IONNQARKSA-N	215.297	-0.400	50	10	BBGE	
O=C(CCl)N1CCn2c(CO)nnc2C1	1961475254	BYTTXXZSVQKGAV-UHFFFAOYSA-N	230.655	-0.649	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(C)(C#N)C1	1961495095	KLNJOWNZZNWHPC-HTQZYQBOSA-N	210.281	-0.154	50	10	BBGE	
OB(O)c1cnccc1Sc1ncns1	1961724119	QCLKUBLCBJNJCX-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@@H]1CC(=O)N1CCC(F)(F)C(=O)NN	1975109340	FMSPIECYQMNOID-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
CON([C@@H]1CCOC1)[C@@H](C(=O)NN)C(C)C	1978751798	ZNCWBKDSOPBYFO-RKDXNWHRSA-N	231.296	-0.347	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSC2COC2)n1	1980593928	QCHGLMYPCFKVGQ-UHFFFAOYSA-N	242.304	-0.344	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	1980825935	NVNCSILHSWBLSU-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CCCN(OC)c1ncc(B(O)O)cc1C	1981468668	GQKAZFBCGAHQRO-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](F)C2)c(Cl)c1	1981472984	VTMROKSAORGUOM-ZETCQYMHSA-N	244.462	-0.037	50	10	BBGE	
CN(C)[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1982385700	XDXFYDPWXLUNOW-ILWJIGKKSA-N	226.324	-0.467	50	10	BBGE	
CO[C@@H](C)CN(C)CCC(F)(F)C(=O)NN	1984129216	AKJBZNBHFYKXAY-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC[C@@H]2O)C1	1984542823	NMTWBQNOYPOMSI-YIZRAAEISA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1csc(N2C[C@H](F)C[C@@H](F)C2)n1	1985766308	BHPGEWJVMADESD-PHDIDXHHSA-N	248.063	-0.291	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCO[C@H]2C1)C(=O)NN	1986658992	AKIIDRHXIZZXFE-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1987531616	XMTICOBENARWED-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
CN1CCN(CCCC(=O)NN)CC12CC2	1987899797	MRHVMLWPDLLZGO-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
C[C@H](CC(=O)NN)N(CC1CC1)C1COC1	1990126974	GEFQDDKULYUKAH-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@@H]1C1CC1	1990725412	KBIAVEZHBIFOQS-JGVFFNPUSA-N	227.264	-0.998	50	10	BBGE	
CNC(=O)CN1CCN(C[C@@H]2C[C@H]2Cl)CC1	1991433282	PUIRFPIPASXSAS-VHSXEESVSA-N	245.754	-0.023	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C[C@@H]3C[C@@H]3Cl)C2)N1	1991438480	MILRRSPNUVQRFR-GEVIPFJHSA-N	243.694	-0.247	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1CCOC[C@H]1F	1991729652	DTBCIKPHLGQLEH-BGZDPUMWSA-N	232.255	-0.244	50	10	BBGE	
C=C(CN1Cc2cnn(C)c2[C@H]1C)B(O)O	1992145002	DTZZQNALODDMEL-MRVPVSSYSA-N	221.069	-0.135	50	10	BBGE	
C[C@H](CN1CCC[C@H]1c1ncon1)C(=O)NN	1997752149	JNPYWXQPHOFSRC-SFYZADRCSA-N	239.279	-0.168	50	10	BBGE	
O=C(C[C@@H]1C=CCC1)N[C@@H](CB(O)O)C(=O)O	1998126493	SYIXUQLWSHLJRZ-SFYZADRCSA-N	241.052	-0.615	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]2OCC[C@H]2O1	1999558860	QWPNWNLMDRVBLV-IVZWLZJFSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)c1cc(CN2CC3(F)CC2C3)on1	2002398052	GFISOKXPSYBBEY-UHFFFAOYSA-N	240.238	-0.036	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)C(C)(C)C1	2004920898	PBGMRYAFQAZECW-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2005808177	OATODGRMMWPKDB-QHOPCYEYSA-N	231.064	-0.999	50	10	BBGE	
COC[C@]1(C)CCN1c1ccncc1B(O)O	2007185251	NDMHLCPBVOQAED-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)O	2008003797	SUEBZNHVDLKCQP-JGVFFNPUSA-N	245.279	-0.358	50	10	BBGE	
NNC(=O)C1CCC(F)(CN2CC(O)C2)CC1	2008940234	IHQCDYYPJPOPJF-UHFFFAOYSA-N	245.298	-0.449	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)O[C@H](CCO)C1	2009339676	UVGHANLJVCAABW-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CO[C@@]1(C)C[C@H]2C[C@H]1C[C@@H]2NC(=O)C(=O)NN	2012974110	BPNZRWBNJJTKOF-GLLZPBPUSA-N	241.291	-0.704	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21	2015022801	XQLVOQRAZCIXNC-SANCVJEGSA-N	239.319	-0.136	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCCC1(F)F	2021157602	ONJYXMRNUIFAQK-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
OB(O)c1cnn(CCc2ncccc2F)c1	2021931529	VGPMZJGTOCZXCJ-UHFFFAOYSA-N	235.027	-0.660	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1cc(B(O)O)ccc1F	2022200263	QPSPVYKQQXOUGZ-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCC[C@@H]3C2)c1B(O)O	2052553856	MQDMYVGDXBAUQS-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@H]2C2CC2)ncc1B(O)O	2079936234	VORWBMLBBLHDKR-ZJUUUORDSA-N	248.091	-0.110	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1ncc(B(O)O)s1	2211377903	OJWYYWAGOJPSGR-WDSKDSINSA-N	240.093	-0.193	50	10	BBGE	
C[C@@]1(CO)C=CCN1CC(F)(F)C(=O)NN	2211782388	OMPXXLADRNXPOA-QMMMGPOBSA-N	235.234	-0.766	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838985	OEPHXZFLDCOIEJ-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
Cc1nc(Sc2ccc(B(O)O)cn2)n[nH]1	2212599386	ICLXNHZNBOBIBI-UHFFFAOYSA-N	236.065	-0.661	50	10	BBGE	
CC(C)[C@@H](O)CNc1ccc(B(O)O)cn1	2212602254	AWYGNSZPVSBAPQ-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
COCCCN(C)c1cc(B(O)O)ccn1	2212602893	LIRCDLVGGLOQMR-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CCN(CCN(C)C)C[C@@H]1CC[C@@H]1C(=O)NN	2215775786	IYBDTENDIXQFFU-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)ccn2)no1	2217172722	LYCVKUZBDBKYJN-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
CO[C@H]1C=CCN(c2ncccc2B(O)O)C1	2217175707	MKFWAXSTARRWAY-VIFPVBQESA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)C[C@@H](F)C2)c1	2217178966	CZNYEFCCRFAJPO-RKDXNWHRSA-N	242.034	-0.352	50	10	BBGE	
CCC[C@@H](O)CCNc1ncccc1B(O)O	2217179023	FGVHNEMDJQGOCO-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncccc2B(O)O)CCN1	2217181507	QUUMXBRSKVGJBY-DTWKUNHWSA-N	236.080	-0.719	50	10	BBGE	
CNC[C@H](Oc1ccc(B(O)O)cn1)C1CC1	2217190024	BDXOUCYRBVVUEZ-JTQLQIEISA-N	236.080	-0.862	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217200910	MUZIGQCZFDVEJH-VHSXEESVSA-N	236.080	-0.625	50	10	BBGE	
COC[C@H](C)CCN=c1ccc(B(O)O)c[nH]1	2217203911	BWTJPQPUEMGIGQ-SECBINFHSA-N	238.096	-0.732	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCCNC1	2223628999	SKULHKLIPIPJBL-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncnn1C	2223632063	FGOBIFZLUXKQQN-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
CCOC12CC(C1)N(c1cc(B(O)O)ccn1)C2	2223635075	RZPGYPBDDFOCCH-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cn(C)cn1	2223671634	OXYZUKGKFSKHFJ-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CN3CCC2CC3)nc1	2223675531	XGSXSEDHJZRMOM-LLVKDONJSA-N	247.107	-0.733	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@@H]1CO)N1CC(Cl)C1	2241348150	NBSYKJFMVOUPAJ-IYSWYEEDSA-N	240.712	-0.875	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658711	HAURLOWPMTUKBD-ZTYPAOSTSA-N	206.673	-0.420	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC1)CN(C)C2	2242872236	ZDLMVKQEYHLNBW-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2F)s1	2243376203	GKCYLUMLIMDAHP-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243396199	IYMQWDQTOQADME-HACHORDNSA-N	225.053	-0.689	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397089	VKCXXTMDBYWMCF-HRDYMLBCSA-N	226.085	-0.811	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243400484	BVILIFSFONXATF-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
O=C(NCC=C(F)F)c1ccc(B(O)O)s1	2243771821	RYSIDQLZNVMISS-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
CN1C[C@H](C(=O)N[C@H]2C[C@H](Cl)C2)NCC1=O	2243967619	ADOLAWVKYDNMME-BWZBUEFSSA-N	245.710	-0.697	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1(C)CC1	2244215969	GZSIGWJXEHRAKM-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C=C1CON(c2nc(OC)ccc2B(O)O)C1	2247235936	TYOOSDXDVYQUMR-UHFFFAOYSA-N	236.036	-0.922	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1ccoc1B(O)O	2247738472	QRKUTBJJMTYUNM-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1[C@H]2CCC[C@@H]1C2	2247744592	VEZSMENQGQKCPU-OCAPTIKFSA-N	235.048	-0.274	50	10	BBGE	
O=C(NCCC1CCC1)c1occc1B(O)O	2247756201	MRXKNWQFUOQYOD-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790517	HWEDUJZQXVQLAP-AXTSPUMRSA-N	240.112	-0.422	50	10	BBGE	
Cc1cn(C)nc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247803309	ALUUEYAYHJTBTB-YUMQZZPRSA-N	237.068	-0.792	50	10	BBGE	
C[C@@H]1N(C(=O)[C@H]2C[C@@H]2B(O)O)CCOC1(C)C	2247806818	GLKGCKBXNFDYMT-CIUDSAMLSA-N	241.096	-0.125	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C(C)(C)C1	2247808785	WEFOTNRLXHNKOI-RKDXNWHRSA-N	240.112	-0.598	50	10	BBGE	
CC1(O)CC2(CN(C(=O)[C@@H]3C[C@H]3B(O)O)C2)C1	2247808881	MYEMQAARSGALTI-HTQZYQBOSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)C1(B(O)O)CCC1	2247853236	IJAVSDNOVMOEDT-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@H]21)C1(B(O)O)CCC1	2247853854	SOTVPCOSUIXJTK-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
COCCCCNC(=O)c1ccoc1B(O)O	2247866553	ODMYBEPCSPXFPI-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccoc1B(O)O	2247866900	UZIBJFKZGUAISD-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2coc(B(O)O)c2)C1	2247870227	GQJMVEOOYIEGBI-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
CCC[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2247879373	UDKABDPNVMSSLS-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCNC1	2247899226	LONMVTOEDXQTOY-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCn2nccc2C1	2247899504	NPQVNSLKIPDMEN-RKDXNWHRSA-N	235.052	-0.912	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC([C@@H]2CC2(F)F)C1	2247899607	ORGTVUUCLZTFBE-GJMOJQLCSA-N	245.034	-0.037	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)Nc1cccc(B(O)O)c1	2247974341	VYRMIHUGDDVNMS-XVKPBYJWSA-N	234.064	-0.104	50	10	BBGE	
CN(CCF)C(=O)Nc1cccc(B(O)O)c1	2247976352	ZRDGRVMPMLWNML-UHFFFAOYSA-N	240.043	-0.200	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)C1(B(O)O)CC1	2248576545	HBTPIAAULOJEOZ-SECBINFHSA-N	241.052	-0.541	50	10	BBGE	
O=C(N[C@@H](CCF)C(=O)O)C1CC(B(O)O)C1	2248586383	AEFWSIOJDAMBKN-AHXFUIDQSA-N	247.031	-0.832	50	10	BBGE	
CC1([C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C(=O)O)CC1	2248593804	QKSBFKAUSHLKDM-FSDSQADBSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C1(F)CC1	2249416978	ZKCKPASLRBRHOX-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1cc(B(O)O)co1	2249417242	CNGPMNKEKDGCRO-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1[C@@H]2CC[C@@H]12	2255445000	RCGYWRIWDLKTQF-HTQZYQBOSA-N	249.075	-0.346	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1ccoc1B(O)O	2255466021	RZSWSHRFNZKNDA-QPUJVOFHSA-N	249.075	-0.026	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1occc1B(O)O)C2	2255482531	WEBHEBHGSUCCCK-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
C=C(C)CCCNC(=O)c1cncc(B(O)O)c1	2255517629	WSLPBACLHZIZFL-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255713405	AKQDQQJFADNTJX-MWLCHTKSSA-N	248.091	-0.464	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC12CCC2	2255714116	MFMPDBHIPOQNCN-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1ncccc1B(O)O	2255714140	MPXVQSSUOKLEOM-PELKAZGASA-N	248.091	-0.463	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC=CCC1	2255719487	KJANNOWCLHEJAQ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(C)ccc1B(O)O	2255729993	DNBUXMUCYLIXTC-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1nccnc1B(O)O	2256055042	RVDZRXRRRYQRQE-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2B(O)O)C1	2256068464	BETBVIUYMHOQPX-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ncc(B(O)O)cc1C	2257491442	MUAKKLBUWXMXFX-SECBINFHSA-N	246.075	-0.624	50	10	BBGE	
C#CC12CC(CCN1c1cc(B(O)O)ccn1)C2	2260233853	OZKIYOVDJXSBJF-UHFFFAOYSA-N	242.087	-0.247	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C=C[C@@H]2C3)nc1	2298224628	UEJDQKFOAIXFCG-MWLCHTKSSA-N	230.076	-0.084	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369268	OYOSERVIAWFKOG-JXUBOQSCSA-N	240.112	-0.694	50	10	BBGE	
CC1(C)COCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370946	SQEJQHNDUIRXKS-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2298371698	SEQOBLOWWVPDPS-ZOZBQHSOSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O)C1(B(O)O)CC1	2298375093	PIJDOXADURCBAV-XSPKLOCKSA-N	239.080	-0.731	50	10	BBGE	
C[C@@H]1CNC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376974	AAPUAPHBCFBIKG-AXTSPUMRSA-N	240.112	-0.789	50	10	BBGE	
CC[C@@H](O)CNc1ccc(C=O)c(B(O)O)c1	2301418947	GQEKAMONEVZLKA-SNVBAGLBSA-N	237.064	-0.638	50	10	BBGE	
C[C@@H]1[C@H](Oc2ncncc2B(O)O)CC1(C)C	2302112290	RWKIYVXVBSMURZ-VXNVDRBHSA-N	236.080	-0.030	50	10	BBGE	
CC[C@@](C)(CN1C(=O)COC[C@H]1C)C(=O)NN	2303439217	SKADPAIKZUDHBZ-KCJUWKMLSA-N	243.307	-0.360	50	10	BBGE	
COC(=O)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317151577	SFBCITGZJONDBJ-SSDOTTSWSA-N	248.047	-0.789	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H](CN)C1	2317162561	SHTHSDUAALPIMT-DKTWLAJQSA-N	245.091	-0.613	50	10	BBGE	
O=Cc1ccc(N2CCO[C@H]3C[C@H]32)cc1B(O)O	2317350042	MUJHRLSVYDUPBH-NEPJUHHUSA-N	247.059	-0.844	50	10	BBGE	
O=Cc1ccc(NCc2ccno2)cc1B(O)O	2317351355	GYFOQUMLRXSPOD-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)CC(N)=O	37269379	KONHDDXWGBVYEZ-BYPYZUCNSA-N	221.644	-0.733	50	10	BBGE	
CS(=O)(=O)CC(=O)NCCBr	69714610	AHCIXWUQPKEJHY-UHFFFAOYSA-N	244.110	-0.458	50	10	BBGE	
O=C(CCCCl)NCCc1nnn[nH]1	95118486	DLPLRIMYXRIQJS-UHFFFAOYSA-N	217.660	-0.123	50	10	BBGE	
CC(C)(C)OC(=O)NN=C(CO)CO	118263527	FFLAXXDPLIXMII-UHFFFAOYSA-N	204.226	-0.148	50	10	BBGE	
O=C/C=C/[C@H]1[C@H](CC(=O)O)[C@H](O)C[C@H]1O	145723278	AZNZYQFJBBPJNK-JVSSULJGSA-N	214.217	-0.426	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](O)C1	219255791	WCKMZQJIBYKMPL-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CN1CCC[C@@H]2CN(CC(=O)NN)CC[C@H]21	227352358	YBNXKORQRVLKNT-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
Cn1cc(OCc2cc(C(=O)NN)no2)cn1	227957622	OFYDHSWDGVNLGG-UHFFFAOYSA-N	237.219	-0.409	50	10	BBGE	
CCOC(=O)CNC(=O)NNC(=O)CC	232615686	OABFKZBBSGJJFC-UHFFFAOYSA-N	217.225	-0.710	50	10	BBGE	
C[C@@H]1C[C@@H](N=C=O)CCN1S(=O)(=O)N(C)C	235272168	KDRWXJGGGXAYQP-BDAKNGLRSA-N	247.320	-0.019	50	10	BBGE	
O=C1CN(CC[C@@H]2CCOC2)CC(=O)O1	236403486	HUIUREMNGHRBNB-MRVPVSSYSA-N	213.233	-0.202	50	10	BBGE	
CCN1Cc2cc(B(O)O)ccc2C1=O	238273233	DCSLYRNDYBPOCG-UHFFFAOYSA-N	205.022	-0.658	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCCC[C@H]1CO	253176438	PRYVRBGBNNHWKE-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1c([C@@H]2CCCCN2)ccc2c1OCO2	258380701	NZWDSPJYIRWVQU-VIFPVBQESA-N	249.075	-0.090	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]3CC[C@H]2O3)CC(=O)O1	304336129	UZKNOBJGFPILDL-IWSPIJDZSA-N	225.244	-0.061	50	10	BBGE	
O[B-](O)(O)c1ccc(Br)cc1	306846586	KDPIFNSSMOCYSR-UHFFFAOYSA-N	217.835	-0.428	50	10	BBGE	
CC1CC(NC(=O)NNC(N)=S)C1	307186188	UGLNETBNWZCMRK-UHFFFAOYSA-N	202.283	-0.168	50	10	BBGE	
Nc1sc2cccc(B(O)O)c2c1O	307396500	RPEADRROKCOTTA-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1cccc2sc(O)c(B(O)O)c12	307503689	XIFWUUIPVFZRMF-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Cc1nccn(CCCCC(=O)NN)c1=O	309201621	FJKUZEOBGJDVFV-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
CS(=O)(=O)CCN[C@@H]1COC[C@@H]1Cl	323362349	LGBDOAGWXZUDDV-NKWVEPMBSA-N	227.713	-0.373	50	10	BBGE	
C[C@H]1OCCN(C(=O)NN(C)C)[C@@H]1C(=O)O	328462495	KFYYZWAMVQERAW-RQJHMYQMSA-N	231.252	-0.654	50	10	BBGE	
CCOCC(C)(C)NCC(=O)NNC(C)=O	378682171	XPBHJINMCGEZLZ-UHFFFAOYSA-N	231.296	-0.442	50	10	BBGE	
N=C(S)SCCC(=O)NNC(N)=S	379342096	BUKYBMAPDWUQMO-UHFFFAOYSA-N	238.363	-0.161	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CN2CCC1CC2	379750250	KBMNSCNIDWSMAK-MWLCHTKSSA-N	240.351	-0.219	50	10	BBGE	
CCCCC(=O)NN[C@@H]1CNC[C@H]1O	382109710	DMIYEWKJFUYHGX-HTQZYQBOSA-N	201.270	-0.870	50	10	BBGE	
NNC(=O)CCN1CCN(C2CCC2)CC1	393289049	WNWWZQOERYQROP-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
COC(=O)c1ccc(CCC#N)cc1B(O)O	396136807	JPKNSTVVRCEFEW-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCOC1)C(=O)NN	398838714	LBPLZNYUWUCZMM-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
CCOC1(C)CN(C[C@@H](C)C(=O)NN)C1	399914866	JPGVSTCXKYRRGJ-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CN(C2CC2)CCN1CCC(=O)NN	402789956	RPHKBLOWDFJDQG-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ncc(B(O)O)s1	404962181	DDUHAXFFKYFAGD-RXMQYKEDSA-N	228.082	-0.193	50	10	BBGE	
CCN(CC)C(=O)Nc1cccc(B(O)O)n1	405140433	XKSLFRKPZIVDMP-UHFFFAOYSA-N	237.068	-0.365	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1CCNC1=O	575524379	HZTNICRTJIDZHT-CRCLSJGQSA-N	235.081	-0.226	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1CC(=O)NN	688640287	PAQYTKTXYVNEEN-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
COC[C@@H](CCCl)NC(=O)c1nnn(C)n1	697224142	UHKGBAMVSGZJMT-ZCFIWIBFSA-N	247.686	-0.416	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CCCC(=O)NN	706193510	AFFQDGYFWZNPDB-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](C)CO	708460499	PWJGUFFBUZQDQO-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
CN(C)NC(=O)[C@H](C(N)=S)C1CC1	709350530	XUYIKIMZRAPKOX-LURJTMIESA-N	201.295	-0.109	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CC1	714027141	AWRAQUJILNGBHZ-UHFFFAOYSA-N	206.010	-0.890	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)C2(F)F	715416207	NUEBTSYRGFGXPN-FSDSQADBSA-N	235.234	-0.812	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCS[C@H](CO)C1	720077187	YAOWZGJQCTZZNA-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
CC1CN(Cc2nsc(C(=O)NN)n2)C1	724344770	DDKNZJJSVHRLKT-UHFFFAOYSA-N	227.293	-0.407	50	10	BBGE	
CCC(C)(C)C(=O)NNC(=O)[C@@H]1COCCO1	744642673	RTKFGPODVXHLPS-QMMMGPOBSA-N	244.291	-0.015	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(C)C1=O	823918313	UVQGOJKPFUYGIL-DTWKUNHWSA-N	243.307	-0.801	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CCCCCO	1452353489	WWHBEHILBSYLRH-SECBINFHSA-N	218.297	-0.117	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)c2cnsn2)C1	1644412059	AMJANLALKSEJCF-UHFFFAOYSA-N	240.244	-0.722	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1877521450	UDHALRWXECXJME-GBNDHIKLSA-N	204.657	-0.544	50	10	BBGE	
O=C(CBr)NCC[C@@H](O)CO	1880258706	JMELREAZUMXCAB-RXMQYKEDSA-N	226.070	-0.759	50	10	BBGE	
NNC(=O)CCOC[C@@H]1CSCCO1	1891537736	KRZASAHWKDRXEZ-SSDOTTSWSA-N	220.294	-0.485	50	10	BBGE	
O=C(O)C1(NC[C@H]2C[C@@H]2Cl)CNC1	1893006008	QHFWVQGEWNLCBL-RITPCOANSA-N	204.657	-0.370	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(F)(F)F)C(=O)C(=O)NN	1894329246	XLBKPFZLMAIVIM-CRCLSJGQSA-N	239.197	-0.367	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C[C@H]1C	1895122962	WEYINQUKMNTXHW-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1897225490	BGMQQGNLMCPSCZ-ZWOIKLSOSA-N	247.678	-0.349	50	10	BBGE	
CS[C@H]1C[C@H](CN(C)C(=O)C#CB(O)O)C1	1899704825	YUOJZATWJSRBLA-KYZUINATSA-N	241.121	-0.398	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@H]2C[C@@H]21	1900466114	BBLZADBXAWAPBB-FSPLSTOPSA-N	238.077	-0.943	50	10	BBGE	
C[C@]1(CN2CC[C@@H](B(O)O)C2)COCCO1	1902541751	ROQNSWOJXYURRJ-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1CC(F)(F)C1	1902548633	PJSGJHOOHRVWSQ-LURJTMIESA-N	234.011	-0.394	50	10	BBGE	
OB(O)c1nnc([C@H]2CCCCO2)s1	1904500316	ANTUQZKOVXZQQM-RXMQYKEDSA-N	214.055	-0.541	50	10	BBGE	
CO[C@@H]1CCN(c2ncccc2B(O)O)[C@@H]1C	1908480530	UTTILSYXAOQOBJ-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@@H]1C(F)F	1909981733	BPHBSKLQDVVOAV-YUMQZZPRSA-N	249.261	-0.013	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@]2(CO)C1	1910387963	XIMRPYIIPDJSHK-HOSYDEDBSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911276164	FWIXOAQKCSBCDS-FBDQPXRJSA-N	239.319	-0.827	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H]2CC1=O)C(=O)NN	1912338513	DAIZDDTVBDVWEH-BWZBUEFSSA-N	211.265	-0.519	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914868485	DYMCEKVFTDLQPM-ZJUUUORDSA-N	239.323	-0.715	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC2(COC2)C1	1915566723	HLSDRFKMLSGBOX-RKDXNWHRSA-N	225.292	-0.665	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ncccc1B(O)O	1924098626	OARCWUOWHYSLMK-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
CCON(CC)C[C@@H]1C[C@H]1C(=O)NN	1928666235	WXXXVMBZCGPJNR-JGVFFNPUSA-N	201.270	-0.114	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC[C@H]2COCCO2)C1	1928752574	FYAALWWZPLKXFP-LPEHRKFASA-N	234.727	-0.087	50	10	BBGE	
C[C@]1(CCl)CN(C[C@@](C)(O)CO)C1=O	1931735788	FKOKLAYGIWNWNQ-DTWKUNHWSA-N	221.684	-0.183	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]1(C)CO	1932966434	CKTSEAHASZJZJH-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC(F)(F)C(=O)NN)CO1	1935924321	AWUNVEFCSAGNRZ-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CCOC1(C)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1936093185	BLNJBBSCXRLPBI-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1Cl	1936883686	XSCIQXNNEVXPMZ-SVRRBLITSA-N	243.698	-0.202	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H](CCF)C1	1941083295	PKGUNLRPOXLPOZ-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
CO[C@@H](Cn1cc(B(O)O)cn1)C1CCCC1	1945164201	KLCJZYCDTICIHZ-NSHDSACASA-N	238.096	-0.232	50	10	BBGE	
NNC(=O)NCC(=O)Nc1nccs1	1957410869	ATMLRLREZLXDBE-UHFFFAOYSA-N	215.238	-0.746	50	10	BBGE	
C[C@H]1C[C@@H](CN2CC(=O)OC(=O)C2)CO1	1958073560	OYYXTKSKSSVOSA-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cocn1	1958692356	KSOCZKKCKIEEGN-MRVPVSSYSA-N	212.253	-0.125	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2CC(C2)C1	1959798824	XRJGXMQZUXNHCH-BMNUFHGDSA-N	209.293	-0.046	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CF)(OC)C1	1961043617	XQXFOROCKDDSJC-ZETCQYMHSA-N	219.260	-0.575	50	10	BBGE	
CC(F)(F)[C@@H]1CCCN(C(=O)C(=O)NN)C1	1976293404	DNDZPLOQLTUBHG-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCN(C(C)(C)C)C1	1976570744	QMPRUFFDUPRHRD-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CCCN(CCC#N)[C@@H](COC)C(=O)NN	1980730350	BXEMVHRFZVSMSL-VIFPVBQESA-N	228.296	-0.383	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC1(C)C	1981409434	MNPQOXSTCKEKGG-QMMMGPOBSA-N	221.069	-0.609	50	10	BBGE	
Oc1nnc2ccc(=NCC#CCCl)[nH]n12	1982993521	HSAVQWLOINSPFZ-UHFFFAOYSA-N	237.650	-0.094	50	10	BBGE	
Cn1nnc2cccc(C=NNC(N)=O)c21	1986376448	NWNRAOWGMGYNSG-UHFFFAOYSA-N	218.220	-0.030	50	10	BBGE	
OB(O)c1csc(OCCn2ccnc2)n1	1986444772	FGECHNNNBADCGS-UHFFFAOYSA-N	239.065	-0.902	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]2(CC[C@@H]2O)C1	1986978202	YEDCFJAWQUWUMW-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CS[C@H](C)C1	1988350943	JKRGIILMGNNISF-IWSPIJDZSA-N	247.364	-0.183	50	10	BBGE	
CC12CCC(NC(=O)C(=O)NN)(CC1)CO2	1988676637	XTZOFUZDHQROBE-UHFFFAOYSA-N	227.264	-0.806	50	10	BBGE	
Cc1cncc(C(=O)NCC=CB(O)O)c1	1991328253	DKALZJNSOBTQEU-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C(F)(F)C12CC2	1991331754	PKTNLBWVUFMVKC-ZCFIWIBFSA-N	231.007	-0.284	50	10	BBGE	
C=C(CN1CCC(CN(C)C)CC1)B(O)O	1992160780	ZWOXXKGNCILXLA-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccccc1B(O)O	1992836519	NFNCGMGRBJRNGN-ZETCQYMHSA-N	225.028	-0.546	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN2CCC[C@H]1C2	2000464933	YJOXPTGWDWMKPB-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
C[C@@]12CN(CC(F)(F)C(=O)NN)C[C@@]1(CO)C2	2001046452	OZOBHADLIFWBMZ-RKDXNWHRSA-N	249.261	-0.684	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([C@H](F)CO)C1	2001908670	DMLDVSXISOEMLF-ZJUUUORDSA-N	247.314	-0.347	50	10	BBGE	
Cn1ncc2c1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2003025907	ASODOALXFJENNH-CBAPKCEASA-N	235.291	-0.638	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2004911488	HVEVJUZXYMRVMN-XBWDGYHZSA-N	230.076	-0.394	50	10	BBGE	
Cc1ccnc(N2C[C@@H](F)[C@H](C)C2)c1B(O)O	2004918416	LLBGITOSGAPYAF-RKDXNWHRSA-N	238.071	-0.136	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@@H](C)CCC(=O)NN)CCO1	2005913645	SCSLHLXHCSIVEJ-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CCCCO1	2008840610	OSMSYUVVMMUHKA-JTQLQIEISA-N	237.064	-0.903	50	10	BBGE	
CC(C)(CCN1CC2(CC[C@H]2O)C1)C(=O)NN	2009520396	KYBCCRQUDMOPFP-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@@H]1CCC(C)(C)CO1)C(=O)C(=O)NN	2011479288	LDNXBPLOMQDWHB-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CN(C)[C@H]1C[C@@H](Oc2ncccc2B(O)O)C1	2012113197	NNSSCYKTRVPSSQ-DTORHVGOSA-N	236.080	-0.767	50	10	BBGE	
OB(O)c1cc(F)cnc1OC1CCOCC1	2014927539	BZSNWVRCASVGGH-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@@](C)(O)C1	2017233389	FLLLRMHOIGWUAN-NGZCFLSTSA-N	245.323	-0.916	50	10	BBGE	
Cc1nc(O[C@H]2CCC[C@H]2F)ncc1B(O)O	2020493156	IPZOUFGLPZDFSZ-BDAKNGLRSA-N	240.043	-0.266	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	2021736179	AONHKZXFZFQREJ-ZDCRXTMVSA-N	241.335	-0.296	50	10	BBGE	
CCOc1c(B(O)O)ccc(C=O)c1C#N	2060186774	VYPLUZPOGIMFII-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2COC[C@@H]21	2066307601	BQGAZJPWUPHWNJ-KCJUWKMLSA-N	248.286	-0.484	50	10	BBGE	
CSc1ncc(B(O)O)c(Cl)n1	2070376801	VIVJUDNNJJXGKO-UHFFFAOYSA-N	204.447	-0.468	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccc2c(c1)CCO2	2070732066	CBIWGNXIMVXCIH-SSDOTTSWSA-N	249.270	-0.211	50	10	BBGE	
O=C([C@@H](F)C(F)(F)F)N1CC[C@@H](B(O)O)C1	2208731313	DLGLQPHOOGLQRA-RFZPGFLSSA-N	242.965	-0.038	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)N1CC[C@@H](B(O)O)C1	2208731526	HLRNOGIABARYCY-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CNCCSC[C@H]1CC[C@H]1C(=O)NN	2209906473	JTSKFEWTWSIYKO-HTQZYQBOSA-N	217.338	-0.045	50	10	BBGE	
C[C@@H](CN(C)[C@H](CO)CC1CC1)C(=O)NN	2210716714	MQTIZGVHLMAQHW-WPRPVWTQSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCCC[C@@]2(CO)C1	2212372145	IXCPUTGIXQAGEW-ONGXEEELSA-N	227.308	-0.539	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCOC2)c1F	2212604577	QTUITMBWRWXFHP-LURJTMIESA-N	226.016	-0.899	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@]2(F)C[C@@H]2C)n1	2214489458	YQBUZDAUNZBLKD-QUBYGPBYSA-N	240.043	-0.408	50	10	BBGE	
C=CC1(O)CN(Cc2cccc(B(O)O)c2)C1	2214595689	MVBJJFGMVIMFAW-UHFFFAOYSA-N	233.076	-0.901	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCOCC1	2217175747	MYSSFHWEFCCYPP-VIFPVBQESA-N	236.080	-0.258	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Nc1cc(B(O)O)ccn1	2217176175	SIEMEXIXUJVLJT-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N[C@@H]2CNC[C@H]2C)cc1B(O)O	2217181079	YBTOWYPVZWMLND-PSASIEDQSA-N	235.096	-0.910	50	10	BBGE	
N[C@H]1CCC[C@@H]1COc1cc(B(O)O)ccn1	2217189152	YXMGWESBFVDTNI-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccc(=NCCc2cncs2)[nH]c1	2217196043	BJXGDUJPOQRXRZ-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
OCCCN(Cc1cccc(B(O)O)c1)C1CC1	2220061688	GRWAOFGZQQUYDY-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2221561517	LRTNMXFMGCSBSL-VRGHXPGPSA-N	249.314	-0.131	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1ccno1	2222245456	YTXRNLPDJVCGQG-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@H]3CC[C@H]2N3)nc1	2223627970	BVPQAMSSTSUWSH-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)CC1	2223649551	ATLLEOQBKKQHBE-GHMZBOCLSA-N	249.123	-0.167	50	10	BBGE	
NCC[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223670790	CSZZPNNICJJFNP-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
N[C@H]1CCCC12CN(c1ccc(B(O)O)cn1)C2	2223679185	MIGYZTZUPYZBIE-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
CS(C)(=O)=NC(=O)[C@H]1C[C@H](B(O)O)C1	2241480837	MSDKACOQVOYIBO-IZLXSQMJSA-N	219.071	-0.506	50	10	BBGE	
COC(=O)C1(CS(=O)(=O)N=C=O)CC1	2242235126	FSWMIHXOXKMBBD-UHFFFAOYSA-N	219.218	-0.395	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2242756973	HHSMHYQHTSQIJP-UYXSQOIJSA-N	249.694	-0.399	50	10	BBGE	
O=C1CN([C@@H]2CC[C@H]3C[C@H]2CO3)CC(=O)O1	2242994505	FAUGRDYTFYDEME-XHNCKOQMSA-N	225.244	-0.061	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1C(=O)C#CB(O)O	2243357305	URRWYHMOWHTYPG-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
O=C(Nc1ncon1)c1ccsc1B(O)O	2243359670	WBHALZNITVNNSY-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)C1(B(O)O)CC1	2243365773	RYCSCHRRGXOBEP-OCAPTIKFSA-N	227.069	-0.371	50	10	BBGE	
O=C(N[C@H]1[C@H]2COC[C@H]21)C1CC(B(O)O)C1	2243390731	AJHAQZDOQYOPIV-WJIBIYKHSA-N	225.053	-1.000	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(COC2)C1	2243391338	JLHJRJMQHFUGFK-SFYZADRCSA-N	225.053	-0.902	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(=C2CC2)C1	2243399738	POKQMRHJPMQIES-UHFFFAOYSA-N	219.049	-0.382	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1=O	2243404224	LCBRZKCFUWACFK-JECWYVHBSA-N	225.053	-0.366	50	10	BBGE	
C=C(Cl)CNC(=O)c1ncccc1B(O)O	2243407330	PUTXSSYYKARSNU-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
CC(C)(F)CNC(=O)c1ncsc1B(O)O	2243408775	UXUOSWFITYKAQF-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
N[C@@H](B(O)O)c1ccc(-n2cncn2)cc1	2243553673	ASPFILUQJKSQMP-SECBINFHSA-N	218.025	-0.721	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cocc1B(O)O	2244216281	JWRKTDSDEUXVIW-HZGVNTEJSA-N	223.037	-0.560	50	10	BBGE	
CP(C)(=O)C1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2244276249	ARVHMRPMYVUWTE-CBAPKCEASA-N	245.263	-0.081	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ncsc2C1	2244551399	DYUCCVUNZQJSRO-UHFFFAOYSA-N	236.061	-0.957	50	10	BBGE	
C#CCN(CC)c1cc(B(O)O)c(Cl)cn1	2245912731	GDVOUVJVFISPDJ-UHFFFAOYSA-N	238.483	-0.126	50	10	BBGE	
OB(O)c1ccccc1OCC[C@H]1CCO1	2246165533	SQSRDLWEQYELNG-SECBINFHSA-N	222.049	-0.076	50	10	BBGE	
NNC(=O)c1coc(CN2O[C@H]3CC[C@H]2C3)n1	2247080240	AKUJPUGHFDJFNH-BQBZGAKWSA-N	238.247	-0.054	50	10	BBGE	
O=C(Nc1cncnc1)c1coc(B(O)O)c1	2247722675	NAPDHTCCQJJUSI-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@@H]21)C1(B(O)O)CCC1	2247751112	STRVFKYENBBJTO-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1	2247757090	OJRRAXQIYVTQCK-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)C1(B(O)O)CC1	2247758124	SYVXTHVABDSCQO-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
N[C@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789762	AYUOOLSHHJPLGP-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
Cc1cnc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247809514	PWBPYPHTPMWPSL-HTQZYQBOSA-N	237.068	-0.461	50	10	BBGE	
CCN(OC)C(=O)c1ccc(B(O)O)cc1C	2247858800	HROIMFYLAIITIP-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
COCC1(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247859334	MBNWBLZMQJTPDG-RKDXNWHRSA-N	241.096	-0.266	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@H]2C1	2247868534	VJVNBMCHFYJNDD-HTQZYQBOSA-N	235.048	-0.640	50	10	BBGE	
C[C@@]1(O)CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247871124	WKHWSRZJHFHLLY-WCBMZHEXSA-N	241.096	-0.197	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@@H]21)C1(B(O)O)CC1	2247878280	IZJKVUDVVYESOG-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CN1CCC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247879644	WQYOMOIEPHNMAO-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CO[C@H]1CC(=O)N(C(=O)C2(B(O)O)CCC2)C1	2247879663	WWDIQNHROONESX-ZETCQYMHSA-N	241.052	-0.843	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247886382	BDVPHOIKEWRBSO-FXQIFTODSA-N	241.052	-0.987	50	10	BBGE	
CC(C)C[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896012	WROXQYBDFFCJTA-KXUCPTDWSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)N1	2247909555	KMPIJHRAMSXILA-LGUIWLBCSA-N	240.112	-0.552	50	10	BBGE	
C=C(C)C(=O)Nc1ccc(B(O)O)cc1OC	2248413998	CYTLLDFGJGXSGR-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
CN(CCCCC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248584884	CRGKTWHGWRVQJQ-HTQZYQBOSA-N	243.068	-0.437	50	10	BBGE	
C[C@]1(C(=O)O)CCN1C(=O)C1CC(B(O)O)C1	2248587071	LIRGAFNGNFHPLU-HNQUHTCLSA-N	241.052	-0.685	50	10	BBGE	
C=C[C@@H](C)CCN=c1[nH]ccc(B(O)O)c1F	2251011710	FVUMZETUNARGLP-MRVPVSSYSA-N	238.071	-0.054	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1cc(B(O)O)c[nH]1	2251011977	IUBVNUXGYMTGJL-MRVPVSSYSA-N	236.080	-0.364	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)C2(B(O)O)CC2)C1	2251727852	XOAIDMZCGKZBPE-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1[C@H]2CCC[C@@H]1C2	2255445286	TYBMMHLLMHLIIX-DTORHVGOSA-N	246.075	-0.472	50	10	BBGE	
O=C(Nc1cccnc1F)c1ccoc1B(O)O	2255472536	GMALWEZBKOZGBC-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(CC2CC2)C1	2255486170	WPKAIGQATRNMCZ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ncc(C)cc1B(O)O	2255556089	KNWMUFQVQWMSPM-PSASIEDQSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]1C1CC1	2255692707	WCCRRVQBMVTXKK-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2CCOC2)c1B(O)O	2255692768	WTAWWVSVRZUPKY-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1coc(B(O)O)c1	2255724836	RWYJVOWUAQOMOI-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ncc(B(O)O)cn1	2255776541	UGXLIHQJMBQUGS-ZETCQYMHSA-N	249.079	-0.973	50	10	BBGE	
C#CCC(=O)N1CCc2cc(B(O)O)ccc2C1	2256642330	XLGSUASYZXKREC-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@H](CO)C2	2298370004	LFMUTUAWSZJEAN-SRQGCSHVSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298370253	UCKOKPSEIAPVFA-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463505	HKUUCBONKMIKRB-JQCUSGDOSA-N	241.052	-0.781	50	10	BBGE	
CN1CC[C@H]1COCc1ccc(B(O)O)cc1	2299045516	ZRQPBYGEVZFGBI-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2299249775	PNWQTTMVRCBOTA-JXUBOQSCSA-N	239.080	-0.613	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3coc(B(O)O)c3)[C@@H]1C2	2312857440	ZZLQHMUQARWTEW-SBMIAAHKSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCCCCN	2317167893	NIPQWLUCNRKWSO-UHFFFAOYSA-N	247.107	-0.221	50	10	BBGE	
Cc1ncnc(OCc2ccncc2)c1B(O)O	2317796806	ICXFTSZODHVRBS-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCCNC(=O)C(C#N)=CN(CCN)C(C)=O	2324224503	VLRFUSJULAQDSY-UHFFFAOYSA-N	238.291	-0.273	50	10	BBGE	
CN(C)C(=O)[C@@H](Br)C(=O)O	44224395	HYBJQWCIZYIIGW-GSVOUGTGSA-N	210.027	-0.077	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1	44678621	WUKVFBVNGCGHRS-BDAKNGLRSA-N	219.244	-0.351	50	10	BBGE	
CNCCN(C)CCCCC(=O)NN	69801861	XBCIZDIBZLATMN-UHFFFAOYSA-N	202.302	-0.702	50	10	BBGE	
C=CCCC(=O)NNC(=O)[C@H]1COCCO1	73984487	STGDRLMEZNHBBB-MRVPVSSYSA-N	228.248	-0.485	50	10	BBGE	
O=C1CC[C@@H](NC(=O)CBr)CN1	82515390	SSKDBAJWIWKECQ-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
CC(=O)NNC(=O)CSCCCO	85162974	ZCHUBYMXSRWAFZ-UHFFFAOYSA-N	206.267	-0.731	50	10	BBGE	
CN(CCCC(=O)NN)CC(C)(C)O	86275150	WCNVWMHNIYZHEM-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CCOC(=O)NC(=O)/C(C#N)=C/NC#N	107248591	FJTBSMOCJGYWSU-GQCTYLIASA-N	208.177	-0.263	50	10	BBGE	
CN(CCn1cc(C(=O)NN)nn1)C1CCC1	144511089	DOZNPTSOPRZEFX-UHFFFAOYSA-N	238.295	-0.634	50	10	BBGE	
C[C@@H]1COCCN1Cc1ccccc1B(O)O	199008915	HEJWDDBADVQBKY-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)NC[C@@H]2C1	229599209	RHUYFLFBFFVSRK-JGVFFNPUSA-N	228.683	-0.173	50	10	BBGE	
CN1CC[C@@H](NC(=O)CCCl)C1=O	230227477	IBGGVTAEYLPGAT-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CNC(=O)[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1	232300861	FLMGFKONEQZSHV-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)c1ccc(C#N)cc1	232419449	LAWDJKDDQOEESG-LLVKDONJSA-N	248.286	-0.001	50	10	BBGE	
CCN(C[C@@H](C)C#N)[C@@H](COC)C(=O)NN	232419972	MWHYLAAZFKQDTG-IUCAKERBSA-N	228.296	-0.527	50	10	BBGE	
CN1CCN(C(=O)CN(C)C(=O)CCl)CC1	258906502	HEKPRJMEYMRTNA-UHFFFAOYSA-N	247.726	-0.542	50	10	BBGE	
O=C(CCBr)N[C@@H]1COC[C@H]1O	307567456	QPJOUCXTNCAKDS-PHDIDXHHSA-N	238.081	-0.353	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@H]3C[C@H]3C2)O1	380336321	HBYHGKNTXMGMOT-JXUBOQSCSA-N	225.292	-0.524	50	10	BBGE	
O=C/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O	386532810	AZNZYQFJBBPJNK-WORLCZCKSA-N	214.217	-0.426	50	10	BBGE	
CCOCCN(C)Cc1nc(C(=O)NN)co1	387037682	UILXEPIVVMDQAJ-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
N#Cc1cc(CCC=O)ccc1B(O)O	396102555	SNXSOOHHHOREKZ-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
O=Cc1cc2ccc(B(O)O)c(CO)c2s1	396337023	NEKJXFVUDNQHQX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCCNC(=O)NCc1ccccc1B(O)O	405162494	HQYDPJBBDIMYIY-UHFFFAOYSA-N	236.080	-0.424	50	10	BBGE	
CC(C)[S@](=O)Nc1ccccc1B(O)O	405163391	ISRQNIDXYBVNCY-HNNXBMFYSA-N	227.094	-0.150	50	10	BBGE	
O=C1NCNN2CC[C@@H](Br)[C@H]12	575627320	YPZPEPBPWQLZLW-RFZPGFLSSA-N	220.070	-0.584	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1cccc(B(O)O)c1	585000641	NFRKYCNXLYPORR-UWVGGRQHSA-N	245.087	-0.105	50	10	BBGE	
C[C@H](CN)SCC(F)(F)C(=O)NN	685958116	PEMIFCHXYPDANY-SCSAIBSYSA-N	213.253	-0.308	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)CC[C@H]1C	688752961	GGOXJGNJNWILAJ-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
COc1ncccc1Cn1ccc(B(O)O)n1	694275562	JOVAWYZRKTVFGO-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CCO)C[C@H](C)O	695062814	RLNUNXCHEGRFIO-VHSXEESVSA-N	247.339	-0.934	50	10	BBGE	
COC[C@@H]1CCCCN(CC(=O)NN)C1	696607308	BSDNWXFLRCRYOI-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
COc1ccc(B(O)O)cc1OC(F)F	700786260	UIUHLHVCEOYFCB-UHFFFAOYSA-N	217.964	-0.024	50	10	BBGE	
O=C(CC[C@H]1CCCO1)NCB(O)O	702017593	OJWXJOYPZTXUQZ-SSDOTTSWSA-N	201.031	-0.926	50	10	BBGE	
CNNC(=O)c1ccc(NS(C)(=O)=O)cc1	704615510	NELODUTVBKLVTN-UHFFFAOYSA-N	243.288	-0.078	50	10	BBGE	
C[C@H]1CCN1Cc1ccccc1B(O)O	706811737	IWGPETBHAGJBBB-VIFPVBQESA-N	205.066	-0.039	50	10	BBGE	
C[S@](=O)N1CCCc2ccc(B(O)O)cc21	725703519	UTSSSDMWAWINKQ-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CC1	770710201	HAWLEUGEZXEOFQ-POYBYMJQSA-N	227.264	-0.096	50	10	BBGE	
COC[C@@](C)(O)CCNS(=O)(=O)CCl	849395295	BDSPFSUZPSTADO-ZETCQYMHSA-N	245.728	-0.110	50	10	BBGE	
COC(=O)c1ccnc(C(=O)NNC(C)=O)c1	1135817706	AEPWKBZWEHKJPY-UHFFFAOYSA-N	237.215	-0.351	50	10	BBGE	
O=C(CO)NN=c1cc[nH]c2cccnc12	1154505701	YODRBLLCQCZLOG-UHFFFAOYSA-N	218.216	-0.513	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C1CC(O)C1	1169152070	JTWDGGRUZZQTKR-UHFFFAOYSA-N	243.307	-0.755	50	10	BBGE	
CN1CC[C@@H](CC(=O)N2CC[C@H](B(O)O)C2)C1	1262159667	FIYQTQWJKKYVGL-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2	1333192871	XSGGIAMFRPWGOO-GJMOJQLCSA-N	225.248	-0.368	50	10	BBGE	
CCOCCCC(=O)NNC(=O)c1ncon1	1539051016	NBDPBWPOPMBQMS-UHFFFAOYSA-N	242.235	-0.353	50	10	BBGE	
COCCCC(=O)NNC(=O)c1ncccn1	1584132718	KCFRSEKQWSWZJF-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
CN(NC(=O)c1ccc(O)cn1)C(N)=O	1630877700	CSBVWURETPGULH-UHFFFAOYSA-N	210.193	-0.558	50	10	BBGE	
COCC#CC(=O)NNc1ncc(F)cn1	1636476094	BGCPQGRSRAXERR-UHFFFAOYSA-N	224.195	-0.291	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cccnn1	1636851742	QTZJWNWCEAKFLI-KNVOCYPGSA-N	236.231	-0.992	50	10	BBGE	
C[C@]1(C(=O)NNc2nc[nH]n2)CCOC1	1654622615	XURRUNDRBAJLEV-QMMMGPOBSA-N	211.225	-0.326	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COC[C@H]1F	1883147627	SYDSLUMNWPRWLS-RITPCOANSA-N	231.676	-0.119	50	10	BBGE	
C[C@H](O)C[C@@H](C)N1CC[C@H](B(O)O)C1	1891517450	OQQCMVZPTCNHKH-VGMNWLOBSA-N	201.075	-0.306	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N(CCO)CCCO	1893446994	TYFJJQCMFIDVMW-SFYZADRCSA-N	221.684	-0.183	50	10	BBGE	
CON(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCOC1	1894651698	OOYPDLRGIVPRQL-DJLDLDEBSA-N	229.280	-0.735	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C1(C#N)CC1	1901347920	ZNYNCRKSSMGTTM-UHFFFAOYSA-N	245.304	-0.009	50	10	BBGE	
O=S(=O)(C1CC=CC1)N1CC[C@H](B(O)O)C1	1902548093	GWMQZENNYCZUNF-QMMMGPOBSA-N	245.109	-0.417	50	10	BBGE	
CC[C@@](C)(Cn1ccncc1=O)C(=O)NN	1902718917	AJGPYTPICSOBTB-JTQLQIEISA-N	224.264	-0.351	50	10	BBGE	
CC[C@@](C)(Cn1ncccc1=O)C(=O)NN	1902720546	QOJAKRYCLYXERZ-JTQLQIEISA-N	224.264	-0.351	50	10	BBGE	
C[C@H](CN(C)C)N(C)c1nc(B(O)O)cs1	1904702600	SQAWCYSQSAIXHN-SSDOTTSWSA-N	243.141	-0.791	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H](F)C1	1905096627	UGBSKRPJYCHOAT-OTSSQURYSA-N	225.028	-0.724	50	10	BBGE	
O=C(C=Cc1cccs1)NCB(O)O	1911738802	RBYZFDFSLNSYNC-UHFFFAOYSA-N	211.051	-0.111	50	10	BBGE	
COC[C@@H](O[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)NN	1913347466	BNYDTIVOHUAQKF-AXTSPUMRSA-N	226.276	-0.028	50	10	BBGE	
CC[C@@H](N=S1(=O)CCOCC1)C(=O)NN	1913857377	UCUCXNNGAICJNQ-SSDOTTSWSA-N	235.309	-0.747	50	10	BBGE	
COC[C@H](ON)C(=O)N1CC=C(C#N)CC1	1917086662	KKMQQUPHNXGIMT-VIFPVBQESA-N	225.248	-0.426	50	10	BBGE	
CC1(C(=O)NNC(=O)C(F)(F)F)COC1	1923422388	DQLXGVUAKNZDFO-UHFFFAOYSA-N	226.154	-0.267	50	10	BBGE	
CON(C)Cc1csc(C(=O)NN)n1	1928677105	TZYHRCPXRDVELM-UHFFFAOYSA-N	216.266	-0.260	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@@H](Cl)CF	1930555269	ICOAUNXZKQXOGP-LURJTMIESA-N	220.635	-0.029	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935942719	VJQKKZYAAVSLFM-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1C[C@H](C)N(CCOCC(=O)NN)C1=O	1936528938	JFUZHGSTWXKQNT-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
O=C(CCn1cnnn1)N[C@H]1COC[C@@H]1Cl	1937142915	MVSJZZAFCXVFNW-BQBZGAKWSA-N	245.670	-0.814	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)Cn1cncn1	1937145290	HYCFEIBTHUTAJH-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
Cn1cc[nH]c(=N[C@H]2COC[C@@H]2CCl)c1=O	1937181960	MLYBYEHJIWMNAH-YUMQZZPRSA-N	243.694	-0.132	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C[C@@H]1C[C@H]1C(=O)NN	1941083435	QRGATOAXNKDDRY-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)C[C@@H]1C	1944321905	JFONIAZIIFIAGN-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1951321888	LDEQCRSQDLRFKG-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(CC(=O)NN)C1	1955030208	OWSLDFPHNJQYCM-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CO[C@@H](C)[C@H](C)N1CC(=O)OC(=O)C1	1955629404	LQHGBBVGPGSQFS-BQBZGAKWSA-N	201.222	-0.205	50	10	BBGE	
CN(C(=O)OCCl)[C@@H]1CC(=O)NC1=O	1956858743	PWDJMQQCPIEMRE-SCSAIBSYSA-N	220.612	-0.334	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(F)CC1C2	1960685247	QRWIJQMPEVNCTJ-CRMOQAEOSA-N	217.244	-0.822	50	10	BBGE	
CC[C@H](C)Oc1ncc(B(O)O)c(C)n1	1961687794	OLUGUPOPAJUYPB-LURJTMIESA-N	210.042	-0.358	50	10	BBGE	
OB(O)c1ccc(S[C@H]2CCOC2)nc1	1961707979	LLWIZXNUALZTGA-QMMMGPOBSA-N	225.078	-0.358	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1nc(B(O)O)cs1)C2	1961717600	CSTKBCKSEKJZCO-HZGVNTEJSA-N	224.094	-0.331	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961927289	UBZKPKFSVCHIIT-JGKVKWKGSA-N	233.695	-0.044	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1974595491	JRUXPFMXLZQUIW-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CC=CC=CC(=O)N[C@@H](CB(O)O)C(=O)O	1976980011	SCMHIEJOVMEERG-ZETCQYMHSA-N	227.025	-0.839	50	10	BBGE	
CON([C@@H]1CCOC1)[C@H](C)[C@H](C)C(=O)NN	1978750106	LKKODWYWIAJURL-DJLDLDEBSA-N	231.296	-0.347	50	10	BBGE	
COCCCN(C)c1ccncc1B(O)O	1981426720	PXTPXKRPHHFHMW-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CC[C@H](N)CN(CC)CC(=O)NNC(C)=O	1981714179	WXBLAHNJXKOSKE-VIFPVBQESA-N	230.312	-0.787	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=CC[C@H]1CO	1983178952	GWOMVFIVEOEALS-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
COC12CC(C1)N([C@H](C(=O)NN)C(C)C)C2	1986829391	GHVROHHUDTVHRK-YUCVTWSNSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCC=CB(O)O)[C@@H](C)O1	1991325890	APUWSKDNWARGEP-IWSPIJDZSA-N	227.069	-0.516	50	10	BBGE	
C=C(CN1CC[C@H](N(C)C)[C@H](C)C1)B(O)O	1992148831	UKPRUGQSYKJUAJ-KOLCDFICSA-N	226.129	-0.173	50	10	BBGE	
Cn1ncc(C(=O)N[C@H](CCCl)C(=O)O)n1	1994358156	YEHRBJZBGYKCKU-RXMQYKEDSA-N	246.654	-0.373	50	10	BBGE	
O=C(O)[C@]12CCC[C@]1(C(=O)NNCCO)C2	1995273694	QMMKQHVPCLXPLE-NXEZZACHSA-N	228.248	-0.756	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1ccc(B(O)O)cn1	1996648183	WNZJQWUUTXMHBB-SSDOTTSWSA-N	237.068	-0.319	50	10	BBGE	
CO[C@@]1(CN(C)[C@H](C)C(=O)NN)CCCOC1	2001494677	MQRKMVXKNBMOGX-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cnccc1N1CC2(C1)CC2(F)F	2004918204	IURMYADFUZBBRL-UHFFFAOYSA-N	240.018	-0.393	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3CC[C@@H]32)nc1	2004919287	XAYXUNQFZIDQJA-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Oc1ccncc1B(O)O	2004950347	DWQBMYCSGSAZKT-KCJUWKMLSA-N	237.064	-0.435	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(CCF)C2)n1	2004971060	LQTJQHWNZLSRAN-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CCC12CCC2)C(=O)NN	2006120935	YOHKKDHDZNNVGR-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC(O)C[C@H]2C1	2012903606	RYOPZJROVBZIAE-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)CCCC1(F)F	2021109607	IMLHFULJCSTNLQ-VIFPVBQESA-N	245.034	-0.057	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc(F)ccc1F	2021162626	JGZIPVZOMNTGTB-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
CO[C@H]1[C@H](N2CC(=O)OC(=O)C2)COC1(C)C	2022069283	HUKLNTDCBXUZKV-XCBNKYQSSA-N	243.259	-0.436	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@@H](F)C3)(C1)C2	2023851921	CIDUUYPJQDUFSW-FBIMIBRVSA-N	243.282	-0.431	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1cnco1	2031811598	TUDNIEVUQHJSKQ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(=O)N1CCC1	2043145264	DUFPJRSTCDIVLD-UHFFFAOYSA-N	248.091	-0.376	50	10	BBGE	
CCOc1cc(F)cc(B(O)O)c1C#N	2060174291	DPXYAIHVLPIDFC-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)c1ccccc1B(O)O	2079008815	NELBKERELVNZKL-IUCAKERBSA-N	249.075	-0.990	50	10	BBGE	
OB(O)c1csnc1CN1CC(C2CC2)C1	2211138558	WRZGCJJSCSJSEL-UHFFFAOYSA-N	238.121	-0.335	50	10	BBGE	
CCC#CCOc1cc(B(O)O)c(C)cn1	2212600232	TZHKAJANRQHQOY-UHFFFAOYSA-N	219.049	-0.138	50	10	BBGE	
C#C[C@@H](C)N(C)c1nccc(B(O)O)c1F	2212605800	KIPIVHSECPFXEF-SSDOTTSWSA-N	222.028	-0.642	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(O)(C(F)F)C1	2215777570	TXVASDPXJPAQLB-BQBZGAKWSA-N	249.261	-0.686	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)ccn2)CCC[C@@H]1O	2217174120	WFCWUJHQIPVLDE-ONGXEEELSA-N	236.080	-0.523	50	10	BBGE	
CO[C@H]1C[C@H](CNc2ncccc2B(O)O)C1	2217177105	FQQBCBCEKXJWQG-KYZUINATSA-N	236.080	-0.402	50	10	BBGE	
C=C1COC[C@H]1Nc1nccc(B(O)O)c1F	2217184294	RRLYIFMWDZHAES-MRVPVSSYSA-N	238.027	-0.733	50	10	BBGE	
CC[C@](C)(N)CCOc1ncc(B(O)O)cn1	2217192844	QIUKLJFZEZDZSX-JTQLQIEISA-N	239.084	-0.947	50	10	BBGE	
OCC1(CNc2cc(B(O)O)ccn2)CCC1	2217198218	YIBYGPVVGAIKKC-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
CCOCc1nccn1-c1cc(B(O)O)ccn1	2223610976	RLJXFMXBDBTZMP-UHFFFAOYSA-N	247.063	-0.516	50	10	BBGE	
C[C@@H]1CNCC[C@@H](Nc2ncccc2B(O)O)C1	2223651111	VARPTOQTSHYMAU-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
CNC[C@@H]1CCCN(c2ncccc2B(O)O)C1	2223668523	XMYAQCZLJXIVHJ-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
O=C(C#CB(O)O)NCCSC(F)F	2241479100	RIJSZMVPPRSFPQ-UHFFFAOYSA-N	223.009	-0.926	50	10	BBGE	
C[C@@H](O)CN(CC(=O)NN)C(C)(C)C	2242093107	HEDQBJNMPLNVET-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CCCO)NC(=O)C1(B(O)O)CCC1	2243348515	YTSQSNYKDAVVLW-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(C(=O)C#CB(O)O)[C@H]1C	2243357076	QSZDYFCUTGKTAJ-UTLUCORTSA-N	223.081	-0.105	50	10	BBGE	
O=C(Nc1ccc(O)nc1)C1(B(O)O)CC1	2243359334	RBANJEPBLSSAQC-UHFFFAOYSA-N	222.009	-0.267	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)C(=O)C#CB(O)O	2243362928	YMCGCEULPBRLBR-VGMNWLOBSA-N	225.053	-0.974	50	10	BBGE	
O=C(NCc1cccnc1)C1(B(O)O)CC1	2243363459	GYEJLNIKDKDRLN-UHFFFAOYSA-N	220.037	-0.295	50	10	BBGE	
C[C@@H](O)CCCNC(=O)C1CC(B(O)O)C1	2243396557	NUTRIJGSFHFDPW-AFPNSQJFSA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1occc1B(O)O	2243411493	UVZZXEFDQHNQLB-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2243415577	XWRGMIIKRUXXPM-CIUDSAMLSA-N	226.085	-0.907	50	10	BBGE	
C#CC[C@@H](CC)NS(=O)(=O)CC(=C)B(O)O	2243420011	KRVAXOZVBAUSEG-SECBINFHSA-N	245.109	-0.724	50	10	BBGE	
CC1(C)CCN1C(=O)c1cc(B(O)O)co1	2244212245	NEULZBNKZOHLHP-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H](N)[C@@H](C)Oc1cc(B(O)O)c(Cl)cn1	2245913228	OFWVMPUSHKCUJQ-PHDIDXHHSA-N	244.487	-0.471	50	10	BBGE	
C=C1CC(CO)(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	2246827704	WZVNQKAJIAESCZ-IUCAKERBSA-N	237.255	-0.016	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@@H]1C[C@H]1C	2247732755	IXXUZYZSDYFMMX-HZGVNTEJSA-N	237.064	-0.252	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CCC[C@H]21	2247741591	BWLYILWHXZTPEK-OIBJUYFYSA-N	234.064	-0.681	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC(C2CC2)C1	2247743702	HZBYTZLCZDNTRW-UHFFFAOYSA-N	234.064	-0.824	50	10	BBGE	
Cc1nc(C)c([C@H](C)NC(=O)C#CB(O)O)[nH]1	2247744880	ZBPLLUHLMKRARW-ZETCQYMHSA-N	235.052	-0.781	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1F	2247752189	KLACEQNDBHIENN-JGVFFNPUSA-N	240.043	-0.972	50	10	BBGE	
O=C(N1CCCCC[C@H]1CO)C1(B(O)O)CC1	2247758846	XYHRXNIZGSMQLC-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
CC[C@H](CCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787044	KFOLSMLMMZNPQT-KXUCPTDWSA-N	243.112	-0.093	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247806674	OIYNWZIRGYHUJZ-RKDXNWHRSA-N	235.052	-0.702	50	10	BBGE	
CCCc1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH][nH]1	2247808516	LHRCCDCJWNQUHN-YUMQZZPRSA-N	237.068	-0.415	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2247809092	NTRGZXHIINTMIP-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)NCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247809720	QUUVYOUMEOACQC-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCN(C)C(=O)C#CB(O)O	2247848114	HJLQKFDFYGUROS-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
CCCO[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247849623	CHJHKXMBNPDTAP-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ccncc1B(O)O	2247870593	MPZAZHYKJOZHAP-UHFFFAOYSA-N	234.064	-0.544	50	10	BBGE	
COCCNC(=O)c1cc(C)cc(B(O)O)c1	2247873523	CTYORDPFUHBYFQ-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247890822	BXAIFZKQXOISJS-QMMMGPOBSA-N	237.064	-0.038	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCCO1	2247895802	BQWVNMKJHXIODY-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CC12CCOCC2)[C@@H]1C[C@@H]1B(O)O	2247897088	NUFGZRULOAANIO-HRDYMLBCSA-N	239.080	-0.465	50	10	BBGE	
CN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]1B(O)O	2247897618	VJINPDOUCJDRAT-NXEZZACHSA-N	234.064	-0.097	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H]1C(=O)O	2248579131	XZWYGOTTXQYOHK-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)[C@@H](F)C(=O)O	2248579134	UPOBSKACCJMCSR-PHDIDXHHSA-N	247.031	-0.832	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N1CCC(B(O)O)CC1	2249347686	SWKBYWPPXVYIMY-PSASIEDQSA-N	241.096	-0.266	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H]2CC[C@@H]21	2255491487	YCHGRHICUFWIFR-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC[C@@H]2C[C@H]21	2255508074	IFNJKRMKVRKPEF-PSASIEDQSA-N	248.091	-0.671	50	10	BBGE	
C#CCN(C(=O)c1ncccc1B(O)O)C(C)C	2255522611	MBWFHTQVTBDEPA-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@@H]2CCC[C@H]21	2255553035	SMQJNAWNBDWCEY-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@H](C2)C1	2255725443	XMIAAAKPLORSDB-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(C)cc1B(O)O	2255736019	FQOSNMMGSMVKOM-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)oc1B(O)O	2255779981	OROQCCKSENLODJ-DTWKUNHWSA-N	249.075	-0.204	50	10	BBGE	
C#CC1(NC(=O)c2ccoc2B(O)O)CC(C)C1	2259908448	SXDITTZGQPPOBE-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)c(C)c2)C1	2261377037	HWIBGULOSXIPDJ-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C(NC[C@H](F)[C@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2298375181	WSPBGUMALKYYHK-KDXUFGMBSA-N	245.059	-0.660	50	10	BBGE	
O=C(C[C@H]1CCC1(F)F)NCCC#CB(O)O	2299038006	OXZTXZCBAKVBGI-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300193928	ZEUMBTBFHZUJIU-RCWTZXSCSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](F)C2=O)c1	2301878201	WQHOFNSDNTYUBJ-MRVPVSSYSA-N	241.222	-0.047	50	10	BBGE	
C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](B(O)O)C1	2303124556	RYDMNSYRBAKYEL-DTWKUNHWSA-N	242.128	-0.162	50	10	BBGE	
C#CC1(CNc2cc(B(O)O)c(F)cn2)CC1	2303835346	VNGXJEOLSQFFNT-UHFFFAOYSA-N	234.039	-0.274	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303860246	DNRHZCLDRXGUAM-BQBZGAKWSA-N	242.059	-0.595	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ncc(B(O)O)cn1	2304122718	OJNNQGKSEKTYQL-SSDOTTSWSA-N	235.052	-0.693	50	10	BBGE	
CCc1cnn(CCN(C)[C@H](C)C(=O)NN)c1	2306282596	DWIHVHWQTYWJAR-SECBINFHSA-N	239.323	-0.244	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ncccn1	2307831992	PRRMDTWRRGXJTG-QMMMGPOBSA-N	233.036	-0.693	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)[C@@H]2CC[C@@H]21	2312612253	LBOVDKIGNQSFKF-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)co1	2313081293	IGOHXEHYSIPKHK-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCOC(=N)O	2317160810	IMDNOYRNRITJMB-UHFFFAOYSA-N	249.035	-0.841	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CCNC2)cc1B(O)O	2317311427	PCQZQADREJTWRZ-VIFPVBQESA-N	248.091	-0.800	50	10	BBGE	
CN1CC[C@@H]1COc1ccc(C=O)c(B(O)O)c1	2317312883	OBLKPWOHPRRIBA-SNVBAGLBSA-N	249.075	-0.738	50	10	BBGE	
OB(O)c1cc(-n2cc(C3CC3)cn2)ncc1F	2320789234	XZQNKKZYVNIPFI-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
COC(=O)CCCN(C)CC(=O)NNC(C)=O	50065564	SBXCMSUXCQBXNH-UHFFFAOYSA-N	245.279	-0.961	50	10	BBGE	
CC(C)[C@H](C)NC(=O)CCC(=O)NN	58854142	IYRKYUBZGAZRBJ-ZETCQYMHSA-N	201.270	-0.083	50	10	BBGE	
COC(=O)[C@H](C)CSCC(=O)NNC(C)=O	85162002	YQVFASMZBLCQHD-ZCFIWIBFSA-N	248.304	-0.304	50	10	BBGE	
NCCCSC[C@H]1CC[C@@H](C(=O)NN)O1	85314618	WVOGZMCGWDTSKN-SFYZADRCSA-N	233.337	-0.394	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)NC[C@@H]2C1	85807900	ZWDAKZYDGJBCSV-NKWVEPMBSA-N	231.683	-0.150	50	10	BBGE	
Cn1c(CBr)cc(=O)n(C)c1=O	88107919	PEEORTYUPUVYOK-UHFFFAOYSA-N	233.065	-0.021	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCCC[C@@H]2C1	94444423	MZKGFFHHVAJUGA-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)c1cc2cccnc2nc1N	95952810	XAAJBHYZHOOHSJ-UHFFFAOYSA-N	203.205	-0.185	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC(=O)N1CCCC1	110587090	MXLZGCICXXNKJG-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
O=C=NCNC(=O)N1CC[C@@H](C(=O)O)C1	170303904	UEZNWDSWQSQFAS-ZCFIWIBFSA-N	213.193	-0.604	50	10	BBGE	
C=CC(=O)Nc1cc(B(O)O)ccc1[N+](=O)[O-]	196117616	DDFSKLPGYLZRCB-UHFFFAOYSA-N	235.992	-0.601	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@@H]1CCCO1	199005399	UDVQLNGFRIQVQQ-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2ccc(C)n2)c1	203580750	IHYXQNWIKHNQDQ-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](C(=O)NN)CC1	216920624	ZGFVXDQTHQLEGQ-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3CC[C@@H]2O3)CC(=O)O1	227377272	QEEMIVPPECUFAR-RNJXMRFFSA-N	211.217	-0.308	50	10	BBGE	
COC[C@H](Oc1cccnc1C)C(=O)NN	232418538	MGOGDYCBISBCGC-VIFPVBQESA-N	225.248	-0.226	50	10	BBGE	
C[C@@H](Br)C(=O)NC[C@@](C)(O)CO	235151421	KWLDRKCSYOQPLB-IYSWYEEDSA-N	240.097	-0.371	50	10	BBGE	
COc1cnc(C(F)(F)F)cc1B(O)O	238392267	VHDULPLNGGERRP-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
OB(O)c1cncc(I)c1	238636808	RWOBUOBDJNYVND-UHFFFAOYSA-N	248.816	-0.634	50	10	BBGE	
O[C@@H]1CO[C@H](F)[C@@H](Br)[C@@H]1O	238677773	JOCHESIJDDGQGG-LECHCGJUSA-N	215.018	-0.203	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@H]1C	251868221	TVGRBXKVFNWQDE-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
CN1CCC([C@@H](N)CC(=O)N(C)N)CC1	258970934	DBKQAPCWJINGQG-VIFPVBQESA-N	214.313	-0.622	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)C2CC2)n1	292584851	DSJXSFPDEUUDJI-UHFFFAOYSA-N	223.236	-0.531	50	10	BBGE	
CN(C(=O)CCBr)C(CO)CO	308125625	VHKRCTLHTFXCQN-UHFFFAOYSA-N	240.097	-0.417	50	10	BBGE	
C[C@H]1CN(Cc2nc(C(=O)NN)co2)C[C@H]1O	388392357	SHIRAKBCJLWDMR-POYBYMJQSA-N	240.263	-0.909	50	10	BBGE	
COC(=O)NN=C(C)[C@H]1SC(=N)NC1=O	389584630	IWJLRFMETPRZDN-SCSAIBSYSA-N	230.249	-0.115	50	10	BBGE	
CO[C@@H]1CN(CCC(C)(C)C(=O)NN)C[C@H]1O	395917889	GOFIQJNPBBPODG-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCOC1	398897345	BZKKMOXNBAXEHK-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC[S@@](C)=O	399890859	HMMDDUXHUIEGRD-ANRSDYALSA-N	235.353	-0.545	50	10	BBGE	
COCC(=O)N(C)Cc1csc(B(O)O)c1	404907232	FJIYMYNDNLWXCO-UHFFFAOYSA-N	243.093	-0.967	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1ncc(B(O)O)s1	575597592	ICNGZVBYVLHGMP-CDUCUWFYSA-N	240.093	-0.193	50	10	BBGE	
CCN(C[C@@H](C)O)[C@@H](C)CCC(=O)NN	692173786	TWYIIEOJBWIUNS-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CCO)C[C@@H](C)O	695062812	RLNUNXCHEGRFIO-NXEZZACHSA-N	247.339	-0.934	50	10	BBGE	
C[C@H](CO)[C@@H]1CCCCN1[C@@H](C)C(=O)NN	699959604	JOQJSRMYFORESP-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@H](CO)C1	700397845	BPGXKGHSDSXIST-YTWAJWBKSA-N	243.351	-0.049	50	10	BBGE	
COC[C@@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)OC	703446684	ZCPZPOYKWUFEPQ-VGMNWLOBSA-N	243.259	-0.436	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1[C@@H]2COC[C@@H]21	703475909	BWZVNCZPVHSKGZ-HOTMZDKISA-N	237.255	-0.205	50	10	BBGE	
C[C@H]1COC[C@@H]1OC(F)(F)C(=O)NN	705853092	DHDXSRQSUBLZFC-WHFBIAKZSA-N	210.180	-0.379	50	10	BBGE	
COCC1(N(C)CCC(=O)NN)CC1	707146728	GMDBRLDOJMJFFK-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COCC[C@H]1Cl	710994875	LNAZNNZWKOGORT-RITPCOANSA-N	217.660	-0.560	50	10	BBGE	
CCc1nc(SCCC(=O)NN)n[nH]1	714113010	IRTSSMPNNMRNFP-UHFFFAOYSA-N	215.282	-0.161	50	10	BBGE	
O=C(C[C@@H]1CCC2(CCC2)O1)NCB(O)O	716960593	BISSQLIOLWMFNE-QMMMGPOBSA-N	227.069	-0.394	50	10	BBGE	
NNC(=O)c1nc(CSCCCO)ns1	724325021	AVKVIUWDNPQFCB-UHFFFAOYSA-N	248.333	-0.243	50	10	BBGE	
N#Cc1nccn1Cc1nsc(C(=O)NN)n1	724347299	GHZZNZCXHRTLJH-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
O=C(NCCCF)NNC(=O)[C@H]1COCCO1	767957837	GATPPYJOGVCYMC-SSDOTTSWSA-N	249.242	-0.908	50	10	BBGE	
N#CC1(O)CCN(C(=O)OCCO)CC1	821982704	PUNBYUKGVMNQGS-UHFFFAOYSA-N	214.221	-0.534	50	10	BBGE	
O=C(CO)NNC(=O)c1cc(C(F)F)[nH]n1	1161080159	BGIFPCRSIWDGPA-UHFFFAOYSA-N	234.162	-0.899	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)C1=CCOCC1	1597864264	JOMLHKYZUXLFPE-UHFFFAOYSA-N	248.242	-0.416	50	10	BBGE	
C=C(CO)C(=O)NN=c1cc[nH]c(C)c1	1633566438	LKGVYWOVYFZQAT-UHFFFAOYSA-N	207.233	-0.196	50	10	BBGE	
CC(C)(C)S(=O)(=O)c1ccc(B(O)O)cc1	1857782800	XODQYWAHCPMGNX-UHFFFAOYSA-N	242.105	-0.061	50	10	BBGE	
O=C(O)[C@H](O)CN[C@H]1C[C@@H](Br)C1	1877974729	ADWFIJCCABHKGR-NGJCXOISSA-N	238.081	-0.053	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)C1COC1	1884427936	AXPNGDHRVWDOSZ-QMMMGPOBSA-N	220.700	-0.082	50	10	BBGE	
CN(C)C(=O)C1CN(C[C@H](O)CCl)C1	1884893165	CBLLXWIBAVTVPN-MRVPVSSYSA-N	220.700	-0.394	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCN(C[C@H](O)CCl)C1	1885396086	DZEGQMSTINLUPO-HTQZYQBOSA-N	241.740	-0.295	50	10	BBGE	
Cn1cn[nH]c1=NCCSSCCN	1885644707	HEDLCUDPXVHQQD-UHFFFAOYSA-N	233.366	-0.011	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1886137007	CNYWQNFKJMIZGP-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
O=C(C[C@H]1CCC1(F)F)NCB(O)O	1886378588	UWLOQDPPSGUOGI-RXMQYKEDSA-N	206.985	-0.450	50	10	BBGE	
CN1C[C@@H](C(=O)O)N(C(=O)F)CC1=O	1887173910	SIMMXHRPUDDJJF-BYPYZUCNSA-N	204.157	-0.697	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=S)CCCOC1	1888177718	PPVGVASUUJNFHV-QMMMGPOBSA-N	217.294	-0.333	50	10	BBGE	
CC(=O)NNS(=O)(=O)CCOCCCl	1889159625	RCLOXRLKQNGNRT-UHFFFAOYSA-N	244.700	-0.788	50	10	BBGE	
CN(C)NC(=O)[C@H](N)[C@H](O)C(C)(C)C	1889662607	XMWSIUAPOJUMDQ-RQJHMYQMSA-N	203.286	-0.687	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](F)[C@H](O)C1	1893410629	LYWNVIIXOGRBKJ-NTSWFWBYSA-N	221.615	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1895058043	IHUNORXYGRDGBF-KKZNHRDASA-N	227.308	-0.542	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H]1CN	1901339066	HSJFYCZQLPUJOH-SFYZADRCSA-N	249.336	-0.718	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1C[C@@H]1CN	1901339583	PVSNPLQTRRCQOD-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
COCCOCCCN1CC[C@@H](B(O)O)C1	1902506963	ZEAHWFFELLQPRM-SNVBAGLBSA-N	231.101	-0.412	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C(=O)C=CC(=O)Cl)C1	1902709042	PLUPLSWZZWIILO-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
CC[C@](C)(CN1CC=C[C@@H]1CO)C(=O)NN	1902715224	FOCKCAYGALGXFM-MWLCHTKSSA-N	227.308	-0.375	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@@H]3CC[C@@H]32)CC1	1909253247	VLHNIOFUSNAPNA-UTLUCORTSA-N	239.319	-0.398	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923442189	QTUHBYGXWRKAMY-ZCFIWIBFSA-N	226.154	-0.367	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)CCS1	1928182988	LKRPGWUIZQMXHZ-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
COC1(C(=O)NNCCO)CCCC1	1929837354	ZBHJZMZJKRCUNP-UHFFFAOYSA-N	202.254	-0.441	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@@H]2CCC[C@@H]21	1937413925	CYJVBJXQNZBPQY-KDXUFGMBSA-N	223.276	-0.377	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1C(F)(F)F	1937817228	WCGAZTZBGZWDBI-RITPCOANSA-N	241.213	-0.372	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1C	1941095698	ZYHKAPYSOFFFNE-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1CCOCC(=O)NN	1941773326	WLLMNTCRWPLXBE-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)c1cc(CO[C@H]2CCCOC2)on1	1947168548	JBPABLMSPVBPPE-ZETCQYMHSA-N	241.247	-0.026	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnnn1C	1950439301	PXSRPSJVTMUSGD-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
CC(C)CCS(=O)(=O)N1CC[C@@H](B(O)O)C1	1951320139	DRLVAVKRVMXRTB-SECBINFHSA-N	249.141	-0.089	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@@H](O)C#N)o1	1952957126	UAXXPBVWMIIEAH-XNCJUZBTSA-N	210.189	-0.050	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNC(N)=O)CO1	1955402939	JECIILUPKZMQHP-YFKPBYRVSA-N	201.226	-0.499	50	10	BBGE	
CO[C@H]1CC(F)(F)CC[C@@]1(N)B(O)O	1955786017	SGRGEHQCCAMDMG-FSPLSTOPSA-N	209.001	-0.470	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NNCCO	1956345132	JLVOODUYKNMHIH-MRVPVSSYSA-N	204.270	-0.339	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@H](N)C[C@H]2O)CC1	1960368931	YWIIHIOUOYKQPX-HBNTYKKESA-N	207.277	-0.007	50	10	BBGE	
NNC(=O)CN(CCO)Cc1ccsc1	1961445695	BGXSGPRFYRUBLQ-UHFFFAOYSA-N	229.305	-0.468	50	10	BBGE	
NNC(=O)CN1CCC2(CCC1=O)CC2	1961463425	ROTIPAUVZRPOQT-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C1CC1	1961717513	BHJCRQBROCUWNJ-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(F)(CO)C1	1961737062	HFYGPYNIWWQIOB-ZETCQYMHSA-N	219.260	-0.839	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1	1970330326	YZPUWVBQVYMGMC-GFCCVEGCSA-N	245.087	-0.102	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cn(C)nn1	1974772520	MDYMYVXPKGCXPM-ZCFIWIBFSA-N	248.695	-0.666	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)[C@@H](C)C1	1977147699	SKICDRKXABRTEY-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)C(=O)NN)CCO1	1977314296	OMEYYDJAGLXQGY-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC(NC(N)=O)C1	1977996608	QYDWTTSICKBGQL-SCSAIBSYSA-N	248.670	-0.798	50	10	BBGE	
Cn1ccnc1[C@@H]1CCN(CC(=O)NN)C1	1981090996	JSTPEDFHQTVWSB-MRVPVSSYSA-N	223.280	-0.801	50	10	BBGE	
Cc1nnc(CN(C)C[C@@H](C)C(=O)NN)o1	1981093084	HVMSWILLMJORJY-ZCFIWIBFSA-N	227.268	-0.564	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[S@@]1=O	1981189911	YOPFAXFAFBCWFW-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCC[C@H]21	1981409686	QAOJQSAUMFBGDL-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
Cc1nnc(Sc2ccncc2B(O)O)o1	1981453980	BMMZMYFWKYQFPY-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
CCCN(CC)c1nc(C)ncc1B(O)O	1981468649	GHGCOBINKNVNJX-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
CCSCCC(=O)N[C@@H](CB(O)O)C(=O)O	1985639807	HDKDKZVMZYTPPS-LURJTMIESA-N	249.097	-0.828	50	10	BBGE	
Cc1nn(C)cc1OCCOCC(=O)NN	1986049829	MSAOUSNBOIGESU-UHFFFAOYSA-N	228.252	-0.886	50	10	BBGE	
CO[C@@H](C)COCc1cccc(B(O)O)c1	1986051269	YFQXPSKZRQKKGP-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
COCc1cnccc1C(=O)NNC(N)=S	1986953408	MTINKCUZVLLVKC-UHFFFAOYSA-N	240.288	-0.294	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)CC(=O)NN)C[C@H]21	1988750564	BTAMXJQWJKJZRE-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1NC(=O)/C=C/C(=O)Cl	1991704775	WSGXSPUZPQXNQC-HTWBSGLJSA-N	246.650	-0.933	50	10	BBGE	
CN1CC[C@@](O)(CNC(=O)/C=C/C(=O)Cl)C1	1991714311	FHIAHMMRLYSPLY-VMZHVLLKSA-N	246.694	-0.509	50	10	BBGE	
NNC(=O)C(F)(F)O[C@@H]1CN2CCC1CC2	1992112763	DDQFBPHHDWKDSO-SSDOTTSWSA-N	235.234	-0.320	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)C12CCC2	1993528154	HOVHCOPGTHKXFW-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
C[C@H]1C[C@@H](Oc2nc(B(O)O)cs2)CCO1	1994683746	NYLRGQJSLJBOIC-BQBZGAKWSA-N	243.093	-0.231	50	10	BBGE	
C[C@H]1C[C@]1(F)Cn1cc(B(O)O)ccc1=O	1995033376	FSIDJXPCHWCJDJ-XVKPBYJWSA-N	225.028	-0.724	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]([C@H]2CCCO2)C1	2004396596	NOLSNDKMTHLBLP-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CC1(C)C[C@H](Oc2ccncc2B(O)O)CO1	2004950358	FACLXPOSPSHODV-QMMMGPOBSA-N	237.064	-0.292	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@]3(C)C2)n1	2005015369	ZKWQKHBBSPZCNR-KWQFWETISA-N	233.080	-0.689	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	2011152709	CMAVPEYDCDUYNI-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(C1)CC(C)(O)C2	2011900640	NGGYGMHBHCZERR-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@H]1CF	2016763812	NRCSOAPUCVTNQS-XPUUQOCRSA-N	238.027	-0.695	50	10	BBGE	
CN(C)NC(=O)N[C@@]1(C(=O)O)C[C@H](O)C1(C)C	2018004086	ZPBPSEJBCFUYGA-QUBYGPBYSA-N	245.279	-0.624	50	10	BBGE	
CCOC[C@@H]1CCCN1CC(=O)NNC(C)=O	2019211033	PAHVUCQZAWGCKK-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCC3CC2C3)nc1	2021285642	VZAAQHIDVIPBHD-KTOWXAHTSA-N	234.064	-0.276	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2[C@H]3COC[C@H]2C3)C1	2021412328	JSTRDTUARUWQKG-GWOFURMSSA-N	239.319	-0.134	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)[C@H](COC)C(=O)NN	2026290120	NUFPXRIBEORHLQ-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC=C[C@H]1CO	2056277059	KVINIQBCASQNLU-NWDGAFQWSA-N	247.298	-0.050	50	10	BBGE	
Cc1ccnc(N2C[C@H]3COCC[C@@H]32)c1B(O)O	2073044041	UDJVITOGXMLRPI-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cc(B(O)O)ccc1F	2079012644	XKAHASHBBYFWRA-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
Cc1nccn1CC(=O)N1CC[C@H](B(O)O)C1	2208731536	HMXLHRUHMMJHLO-VIFPVBQESA-N	237.068	-0.733	50	10	BBGE	
O=C(CCl)N[C@@H]1CCC[C@H](O)[C@H]1O	2209100657	JZBFTLYYDMILSU-CHKWXVPMSA-N	207.657	-0.384	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1CCCC(=O)NN	2211250912	SAEYNDQDZFPUGQ-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CN1CC[C@H](OCC2(C(=O)NN)CCC2)C1	2212261680	JWVJOFUJLNRDET-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212290640	ZNDUWXGEWUTIPS-RNLVFQAGSA-N	220.037	-0.666	50	10	BBGE	
C#CCN(CCC)c1ncc(B(O)O)cn1	2212604045	LJBMOFUKUWKJID-UHFFFAOYSA-N	219.053	-0.994	50	10	BBGE	
COC[C@H](CF)Nc1ccc(B(O)O)cn1	2212604686	YTBFOBPLTBHEGW-QMMMGPOBSA-N	228.032	-0.842	50	10	BBGE	
C#CC[C@@H](CC)Nc1ncccc1B(O)O	2212606007	MYYNNZTVCRQFDP-SECBINFHSA-N	218.065	-0.025	50	10	BBGE	
Cc1cccc(=O)n1Cc1ccc(B(O)O)s1	2214512978	GEVWYKPOMNBHMO-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
C[C@H](CO)CC1CN(CC2(C(=O)NN)CC2)C1	2216706708	ZZVNUBYWXPZLFV-VIFPVBQESA-N	241.335	-0.293	50	10	BBGE	
Cc1c[nH]c(=NCC[C@H]2C[C@@H]2C)cc1B(O)O	2217181201	NTYWFXXEMZFSIT-WPRPVWTQSA-N	234.108	-0.050	50	10	BBGE	
CC[C@](C)(O)CNc1nccc(B(O)O)c1F	2217181522	RDQZNEFGPDFQND-JTQLQIEISA-N	242.059	-0.527	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cnco1	2217182194	ACRTXDRYLIHLDQ-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
N[C@H]1CCC[C@H](Oc2ncccc2B(O)O)C1	2217185452	XPHOXTCGUGGMBA-IUCAKERBSA-N	236.080	-0.590	50	10	BBGE	
NCC1(COc2nccc(B(O)O)c2F)CC1	2217188935	WBCCPDGLLRBULA-UHFFFAOYSA-N	240.043	-0.982	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@]3(C2)C[C@@H](O)C3)c1	2223646015	FDVDVTOTCABDAW-KLPPZKSPSA-N	248.091	-0.887	50	10	BBGE	
OCc1cccc(Oc2ncc(B(O)O)cn2)c1	2223659900	COBFBGPVOWNBQT-UHFFFAOYSA-N	246.031	-0.559	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)C[C@H]1CN	2223678985	KIEMDDXCPINBOF-SECBINFHSA-N	249.123	-0.818	50	10	BBGE	
CC(C)[S@](=O)N1CCC(B(O)O)CC1	2241741448	NFZZUFKQCRDUQK-AWEZNQCLSA-N	219.115	-0.003	50	10	BBGE	
C#CCN(CC)C(=O)c1cscc1B(O)O	2243348250	WAVZEYYDGHHVJV-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2243358653	IXUMRMRDTBWPID-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
N#Cc1ccc(NC(=O)C#CB(O)O)cc1	2243362868	XQHASLXAQBWOPS-UHFFFAOYSA-N	213.989	-0.488	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)cc1F	2243367398	SFXMETJNPOSGEJ-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
CS[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243391396	KGSOSMYZNSBNRY-DKXJUACHSA-N	245.109	-0.904	50	10	BBGE	
C[C@H](CO)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243397754	ILSUBWZDWBRWDK-SFYZADRCSA-N	229.085	-0.483	50	10	BBGE	
O=C(NCC1CCC1)c1ccc(B(O)O)o1	2243400746	HJSGVMNXVALRKC-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CCCN(OC)C(=O)c1ncsc1B(O)O	2243408357	LRZUANSLLPAQBQ-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ncsc1B(O)O	2243408581	PZAGJUDJGINNIB-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
O=C(c1cscc1B(O)O)N1C[C@H]2C[C@H]2C1	2243410766	HMATWJAHRQJOBR-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243411066	NFKYPZOIQRVFQV-RKDXNWHRSA-N	221.065	-0.089	50	10	BBGE	
Cc1cc(=NC(=O)C2(B(O)O)CC2)cc[nH]1	2243411706	YTIJUJFBRFPWIQ-UHFFFAOYSA-N	220.037	-0.243	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1csnc1B(O)O	2243412497	NZLYHVKIWKQUSH-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CSC[C@@H]2C1	2243414614	FAGHBFBJZNRBKF-MAUMQABQSA-N	241.121	-0.329	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2243416155	HWJQYTOCVOKUEL-UDNWOFFPSA-N	221.065	-0.136	50	10	BBGE	
O=C(NCC=CB(O)O)C(F)(F)C(F)(F)F	2243662456	AZKKRXGYXWARGC-UHFFFAOYSA-N	246.928	-0.132	50	10	BBGE	
O=C(NCCC#CB(O)O)C1C[C@@H]2C[C@H]2C1	2244547829	GJBPJBKDRSTCFF-IUCAKERBSA-N	221.065	-0.446	50	10	BBGE	
NNC(=O)CCN1CCc2cccnc2C1	2245436122	PFINCNFMFKIFEQ-UHFFFAOYSA-N	220.276	-0.180	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@H]1CCCOC1	2246820531	AURIQSUWLKENQK-JTQLQIEISA-N	237.064	-0.372	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@@H]1C	2247747997	WFQSIAMHSVFLFJ-YUMQZZPRSA-N	236.080	-0.578	50	10	BBGE	
O=C(N1C[C@@H]2CCC[C@H](C1)N2)C1(B(O)O)CC1	2247753849	KBJQQVGBKCEINS-DTORHVGOSA-N	238.096	-0.654	50	10	BBGE	
CN(C(=O)c1ncncc1B(O)O)C(C)(C)C	2247775953	RTVNGWDUTGCJNQ-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787365	OEPOKVNUYNDAKR-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCC[C@H]1CCCN1)[C@H]1C[C@H](B(O)O)C1	2247790467	HQAWXUOTMIZXJH-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1	2247798816	XKMSUDJRWKWVFB-HLTSFMKQSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@@]12CCCN(CC1)C2)[C@@H]1C[C@H]1B(O)O	2247806045	CYZJNJQYYHFULP-KKZNHRDASA-N	238.096	-0.796	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806053	CZKKXJYYNBIUOR-OPRDCNLKSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247809242	YLMDQHFFGNDWHT-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CON(CC(C)C)C(=O)c1ccc(B(O)O)o1	2247842641	XXAMAAFOGIKWHT-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]1C1CC(F)(F)C1	2247852312	SAYNMIDDLABWAE-MRVPVSSYSA-N	243.018	-0.352	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)C2(B(O)O)CC2)[C@@H]1C	2247878893	PTURGLDLYUVPBS-XHNCKOQMSA-N	240.112	-0.409	50	10	BBGE	
CC1(CCNC(=O)C2(B(O)O)CCC2)CNC1	2247879248	SATLXFJEQCSTOV-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@@]2(CO)C1	2247896443	GXZACXOFGZDNPS-KBIXCLLPSA-N	239.080	-0.920	50	10	BBGE	
CC(C)C1(O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247898243	BPBXDHYMEXNENB-DTORHVGOSA-N	241.096	-0.531	50	10	BBGE	
N[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903170	IWUPZCPVKMZAEB-JXUBOQSCSA-N	240.112	-0.375	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)NN1CCC1	2247971899	FOWMENODOHZTHM-UHFFFAOYSA-N	235.052	-0.891	50	10	BBGE	
O=C(NCC1(C(=O)O)CCC1)[C@@H]1C[C@@H]1B(O)O	2248587800	USQQZSPJHKXSRL-RQJHMYQMSA-N	241.052	-0.780	50	10	BBGE	
CN(Cc1ccccc1B(O)O)CC1COC1	2248985085	LFOBTYVXCQPWGP-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@@H]1C	2249408498	GAGUIRPMMXNXHI-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C(C)(F)F	2249412097	UYCVUIGWINQSLE-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cc(B(O)O)co1	2249427993	MQMNIWUMLQESPO-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1cocc1B(O)O	2249434233	XMRJHGDOHTYMFB-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1c1ncccc1B(O)O	2251025759	GGALHOXADMNRNC-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC2CC1C2	2255513898	ZXLKYASWMQRVTD-UHFFFAOYSA-N	248.091	-0.578	50	10	BBGE	
C=CC1(CNC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255680773	NXUBVIJLATWIFO-UHFFFAOYSA-N	248.091	-0.219	50	10	BBGE	
O=C(N[C@@H]1C=CCCCC1)c1cc(B(O)O)c[nH]1	2255681446	ZHPPWCFQFVEIPS-SNVBAGLBSA-N	248.091	-0.077	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ncccc1B(O)O	2255714080	LVWMBKJOIQAKHC-SCZZXKLOSA-N	246.075	-0.710	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(F)c(B(O)O)c1	2255723754	IBXPYACWUDYXTF-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
C[C@@H](C#N)CNC(=O)Nc1ccccc1B(O)O	2255918094	MPASBDBNZKRNCJ-QMMMGPOBSA-N	247.063	-0.352	50	10	BBGE	
C=CCC(=O)N1CCc2cccc(B(O)O)c2C1	2256640028	GXJKCNKOVAEZRP-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2298168131	OPBMCGUQPPLJCW-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)OC1	2298371630	QHBIXKPNOPLCDV-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2301423410	RYXHOUYGBGYIBA-WDEREUQCSA-N	235.048	-0.953	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCO2)cc1B(O)O	2302409632	ZRSXQMZGDLDGGP-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H]1COC[C@H]1O)C(=O)NN	2303423793	JKCUSIBXTRFVSO-KKZNHRDASA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](OCc1cc(C)ccn1)C(=O)NN	2303618202	XSLFPXFREAOTFI-JTQLQIEISA-N	239.275	-0.088	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)CO1	2317348294	LRIUZBKVHPZXEZ-KWQFWETISA-N	249.075	-0.232	50	10	BBGE	
C[C@H](Nc1ccc(C=O)c(B(O)O)c1)C1CNC1	2317350355	QYAIZNCHUPFNFX-QMMMGPOBSA-N	248.091	-0.801	50	10	BBGE	
CC(C)[C@H](C)NC(=O)COCC(=O)NN	58845264	VJOUSYOYMABZOK-ZETCQYMHSA-N	217.269	-0.846	50	10	BBGE	
CCN(CC)CCCNCCC(=O)NN	58846877	BHOIUHXHMJULSP-UHFFFAOYSA-N	216.329	-0.312	50	10	BBGE	
NNC(=O)c1occc1Cn1cncn1	82468468	ATOVRSHHFOXHJP-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
COCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	82470607	NYIYKGVQPKALRP-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(C)(C)CN	86638464	NUPYVEDCPMCUIT-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
N#C[C@H](Cl)CN1CC(=O)N2CCC[C@H]2C1=O	139599579	GMGQEIKMCXCUDK-YUMQZZPRSA-N	241.678	-0.049	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)cc1	203553270	MKEHYLIKGNWVRV-UHFFFAOYSA-N	208.026	-0.492	50	10	BBGE	
COc1ccc(B(O)O)c(CN(C)C2CC2)c1	203571332	YXQSVPWDXQPNQV-UHFFFAOYSA-N	235.092	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CCO	211780340	ZSHILEHKUUXQLI-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@@H](CC(=O)NN)C1	217988426	PBOCASGBSLIJGP-QMMMGPOBSA-N	249.336	-0.572	50	10	BBGE	
CCN(C)C(=O)CNC(=O)NC(=O)[C@H](C)Cl	221762460	XMHKWAKOYJYEPG-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2C(=O)CC[C@H]2C1	228064136	DYHBEDHHVIYWOQ-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)O[C@H](C)C1	232418888	FFRPLVOAVQQYRU-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1ccnn1C	234566990	QLIHXKPZPQCKLF-ZCFIWIBFSA-N	245.666	-0.070	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1ccnnc1	234567024	UVSANXYLONSQOM-SSDOTTSWSA-N	243.650	-0.013	50	10	BBGE	
NC(=O)NN[C@@H]1Cc2ccccc2[C@@H]1O	238590791	OKBNDQDGFGWITD-BDAKNGLRSA-N	207.233	-0.182	50	10	BBGE	
OB(O)c1cnc2ccnc(Cl)c2c1	238656385	AWNUXSHZSZUCIT-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCCC[C@H]2C1	251569457	UIKRMKBSOYSPBE-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CNC(=O)CSCCCC(=O)NN	300802923	JJSGXTYUNRFHCY-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
NC(=O)NNc1cn[nH]c(=O)c1Cl	306453165	NTRDYPWNIQTGCF-UHFFFAOYSA-N	203.589	-0.582	50	10	BBGE	
C[C@@H]1CN(C(=O)CBr)CC(=O)N1	306610791	BUBQKORQHIAYCO-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)c1nnnn1C	307423263	PEICKSBMVSHGRI-SCSAIBSYSA-N	203.633	-0.200	50	10	BBGE	
COC[C@@H](C)CN(C)[C@H](COC)C(=O)NN	309584841	VACXBYPRURWHQO-DTWKUNHWSA-N	233.312	-0.794	50	10	BBGE	
OB(O)c1cccc(OCO[C@@H]2CCOC2)c1	310288028	MXPKNGWRBYUQQE-LLVKDONJSA-N	238.048	-0.492	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1nncn1C	310313406	UOOBJINTYUNTBN-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	379006549	GTOAVQJOVDLMDN-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1ccc(-n2cnc(C3CC3)n2)nc1	382592324	ZCQCRZHMAYSWDO-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1[C@H](C(=O)NN)C(C)(C)C	384777888	HSVSLBAIJUKNCG-HRDYMLBCSA-N	229.324	-0.154	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NCC(=O)NNC(C)=O	393784946	SXNMASZGQIPCQE-IONNQARKSA-N	231.296	-0.850	50	10	BBGE	
Nc1ccc2c(B(O)O)c(C(=O)O)sc2c1	396242953	NUCRWGRKZMJSHL-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1sc2cccc(B(O)O)c2c1C=O	396258710	QHZCGPBLNRTTBK-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
N[C@H](CO)C(=O)OC(=O)Cc1ccccc1	396504368	XBZRYMUCONNAQI-SECBINFHSA-N	223.228	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)C[C@@H](C)C1	398815832	MDORLQPSEKOIEK-RCWTZXSCSA-N	243.351	-0.049	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CCOC1	404969566	NLBJVCYUWNLIBU-MRVPVSSYSA-N	235.048	-0.659	50	10	BBGE	
CC[S@](=O)NCc1ccccc1B(O)O	405050601	VEKQVSIXFINZLD-HNNXBMFYSA-N	227.094	-0.860	50	10	BBGE	
Cn1cnnc1CN1CCC(O)(C#N)CC1	685985808	DIYFNOQVYSZOAK-UHFFFAOYSA-N	221.264	-0.334	50	10	BBGE	
CC(=O)NNc1nc(N)nc(O)c1[N+](=O)[O-]	687770200	ASLGLOBNVNONGG-UHFFFAOYSA-N	228.168	-0.864	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@H](C)C(=O)NN)C1	689046496	FHNFYSDIMXHPFZ-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@]12COC[C@H]1C2	689288708	RPPSSQSIHLXCNI-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
C#CCNC(=O)[C@H](C)N1CCC(O)(C#N)CC1	692111446	FFLDKSUVWPUXSW-JTQLQIEISA-N	235.287	-0.525	50	10	BBGE	
CC(C)(CN1CCOC[C@H]1CCO)C(=O)NN	694917958	BKQRSARZBWNRPB-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](Cl)c1nnc(NC(C(N)=O)C(N)=O)o1	695345354	ZDNHYEBLKZULOY-REOHCLBHSA-N	247.642	-0.880	50	10	BBGE	
Cc1c(C(=O)N(C)N)cnc2ncnn12	704675962	FPODUFFMISPSNK-UHFFFAOYSA-N	206.209	-0.622	50	10	BBGE	
Cc1csc(=O)n1CC(=O)N(C)N	704704851	ACPXKKLHHOAOHT-UHFFFAOYSA-N	201.251	-0.450	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)NN	717080212	FSDKDVLGXFKECY-VGRMVHKJSA-N	211.265	-0.615	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ccn(C)n1	723523891	MPHQPZVLFMWYMH-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O	724333108	AJNPMBOAMHAEKU-DGUCWDHESA-N	233.293	-0.733	50	10	BBGE	
COCCS(=O)(=O)NNC(=O)NC(C)C	737755960	BOEFLBRVUBKLND-UHFFFAOYSA-N	239.297	-0.825	50	10	BBGE	
O=C(NNC(=O)C1(F)CCCC1)c1cnn[nH]1	772858219	DEJWVQNWTBIFLC-UHFFFAOYSA-N	241.226	-0.152	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)n1cncn1	1131741210	XUASRQDRQUFHPK-LURJTMIESA-N	249.234	-0.977	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCN1C(C)=O	1261845520	DNZUBJKUAVHRCT-MRVPVSSYSA-N	213.237	-0.835	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCc1cn[nH]c1	1296519535	IZHHHZMTPVXYND-UHFFFAOYSA-N	240.263	-0.739	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)c1cccnc1	1306200018	CRGPXNAIHUIIJI-SECBINFHSA-N	247.254	-0.119	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)c1ncon1	1456598427	QFRDSJKHESGIKG-SECBINFHSA-N	240.219	-0.842	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2ncon2)CCCO1	1627100248	XDQDGPBFVOWGKB-SECBINFHSA-N	240.219	-0.600	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC1(CO)CO	1883348957	GCVPMIMTADUMSG-LURJTMIESA-N	207.657	-0.431	50	10	BBGE	
COCCNC(=O)CNC[C@H]1C[C@@H]1Cl	1893097395	BJPYRSOWKKKLEE-SFYZADRCSA-N	220.700	-0.034	50	10	BBGE	
O=C(Cl)C=CC(=O)NCc1nn[nH]n1	1893410966	QBOJAAIFWMCQFZ-UHFFFAOYSA-N	215.600	-0.863	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ncncc1B(O)O)C2	1895125503	FSVMVOSRKFSBTA-OIBJUYFYSA-N	219.053	-0.997	50	10	BBGE	
C[C@@H](CN1C[C@@]2(CO)CC[C@H]1C2)C(=O)NN	1900037584	XYEOVASAKRQNDL-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@H](O)C1	1900507778	WAJWBFFLUBZIMZ-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
C=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901376042	UYWPCKILIZSXIQ-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
CC(C)CNC(=O)CN1CC[C@@H](B(O)O)C1	1902506660	VZGRMXGZBRHVAQ-SECBINFHSA-N	228.101	-0.693	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)C1(B(O)O)CC1	1904689111	NUASXNPRCBUTHO-MRVPVSSYSA-N	228.101	-0.598	50	10	BBGE	
Cc1nc(O[C@@H]2C=CCC2)ncc1B(O)O	1905353368	KWDGZEQAQCOXII-MRVPVSSYSA-N	220.037	-0.438	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]2[C@@H](O)C[C@@H]21	1907866870	NYUIFNPQHFNEBZ-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@@H]1C[C@H]1COc1ncc(B(O)O)cn1	1910814402	UFVGXDZVGGADPA-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
Cc1ccc(C=CC(=O)NCB(O)O)o1	1911738701	ZGMNHFBMCZWCLV-UHFFFAOYSA-N	209.010	-0.271	50	10	BBGE	
C[C@@H]1COc2ccccc2[C@@]1(N)B(O)O	1912278418	YZBFSICQJYRDAF-GMSGAONNSA-N	207.038	-0.119	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)CC(C)(C)C1	1923174250	QANJXVOQZAGFTE-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
Cc1nc(C)n(C[C@@H]2C[C@H]2C(=O)NN)n1	1927911216	MQECUTITRQOUKW-JGVFFNPUSA-N	209.253	-0.479	50	10	BBGE	
O=S(=O)(CCCCl)N1C[C@H](O)[C@@H](F)C1	1929873002	VLLXGVHBXABCKD-BQBZGAKWSA-N	245.703	-0.040	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)C(=O)NN)[C@H]1C	1934287880	XGPLQRLUIWXWTA-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)[C@H]1CO	1935932686	SFWFJBLGHIEQCJ-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@H]1C[C@H]1C(=O)NN	1936080217	IRJHAEVDQRSMOC-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1C[C@@H](C)CN(CCOCC(=O)NN)C1	1936537845	VNXAHLQIWNODRQ-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CN1CCC[C@H](N(C)C[C@H]2C[C@H]2C(=O)NN)C1	1941086347	INGPGTANILPKOZ-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941088060	OPWJREWDELHUHJ-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CN(CCOCC1CC1)C[C@@H]1C[C@@H]1C(=O)NN	1941090197	YQQUXFDGFFNZLY-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCn2nccc2C1	1941184429	UIUYJTGYCFCFKQ-SCZZXKLOSA-N	235.291	-0.675	50	10	BBGE	
CON1CCC(N(C)C[C@H](C)C(=O)NN)CC1	1942615038	CKEXZZDXHYREIX-VIFPVBQESA-N	244.339	-0.430	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](N3CCC3)C2)CC1	1945883968	JCEZKUWSXYSAFY-SNVBAGLBSA-N	238.335	-0.464	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1946111380	WUOFISHEBNFDLX-JXUBOQSCSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949270954	LKBVVWGRYJVIIE-OGBGREFGSA-N	241.335	-0.011	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277074	LKBVVWGRYJVIIE-APLZJWDSSA-N	241.335	-0.011	50	10	BBGE	
C[C@@H](SCCOCCN)C(=O)NN	1953963643	JWPDOXUYZPLIRH-ZCFIWIBFSA-N	207.299	-0.927	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)[C@@H](C)O	1954257142	IOZGQELRGDEAPM-RITPCOANSA-N	224.351	-0.178	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1COCCC1(F)F	1957693753	MCUYBYQBGPWZLJ-SCSAIBSYSA-N	239.247	-0.477	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@@H](C)CC(=O)NN	1960662117	CJUFPIZONXDTMI-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](N=c2cccn[nH]2)C1	1974994508	BDZVNRMKQVSBHR-RQJHMYQMSA-N	247.707	-0.285	50	10	BBGE	
Cn1cc([S@@](C)(=O)=NCCC(=O)NN)cn1	1977066687	VKEWRZCLCBIMFB-MRXNPFEDSA-N	245.308	-0.743	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COCC1CC1	1980594261	SETOIVCXQUTVNC-UHFFFAOYSA-N	224.264	-0.050	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCOC2)CC1	1980794781	COMNUYBSIXNSIK-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
OB(O)c1cncnc1N1CCCCCO1	1981412950	ZNCWQBWYKPHILU-UHFFFAOYSA-N	223.041	-0.922	50	10	BBGE	
Cc1nc(N(C)CC2CC2)ccc1B(O)O	1981468430	BLVUVNPRCZUKFU-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	1986567531	SMTTYWIPRUZDLG-AATLWQCWSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC(O)C[C@H]2C1)C(=O)NN	1986733162	ZOVQEQHICKDZIC-VGMNWLOBSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CN1CC2(CC(CO)C2)C1)C(=O)NN	1987144311	CWFXIUOIGYDQLM-QMMMGPOBSA-N	227.308	-0.683	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCSCC1	1988000986	BXTAEOFAOVIALM-UHFFFAOYSA-N	242.084	-0.546	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)NCB(O)O)C12CCC2	1988757679	DSHWOWDJDYRZAW-JGVFFNPUSA-N	227.069	-0.680	50	10	BBGE	
COC(=O)[C@]1(N)C[C@H](NC(=O)[C@H]2C[C@H]2Cl)C1	1991681762	DAPLGCXLQNBLDJ-DOACCVQLSA-N	246.694	-0.237	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@]12CCCOC2	1992177345	ABTXLYBSNTUXGU-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
COC1CC2(C1)CN(CCOCC(=O)NN)C2	1998928022	LIYGOKIZOICLMO-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC2(CC(O)C2)C1	2005808921	QPICLGHANAZEBI-DKZWSVDFSA-N	239.319	-0.541	50	10	BBGE	
Cc1nccn1CCOC[C@H]1C[C@@H]1C(=O)NN	2012464802	BHVJPQYNEHXCFM-ZJUUUORDSA-N	238.291	-0.166	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H](O)C[C@H]2C1	2012899895	HRGLEQNQIVCIHU-URLYPYJESA-N	241.335	-0.151	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1COCCOC1	2014500710	QAUGADROSJGJKL-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
N#CC1CN(C[C@H]2CCC[C@H](C(=O)NN)O2)C1	2018243077	PMQSEWWZDLKITH-NXEZZACHSA-N	238.291	-0.631	50	10	BBGE	
O=C(C[C@H]1CCCOCC1)NCC=CB(O)O	2020067507	IHMBRPGTSMZKGC-JTQLQIEISA-N	241.096	-0.122	50	10	BBGE	
C[C@@H](NC(=O)N1CCC1)c1ccc(B(O)O)cc1	2043144975	AKGVZBMOCLHADE-SECBINFHSA-N	248.091	-0.157	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2052470322	CACFZICRHIEHPG-ZYUZMQFOSA-N	245.091	-0.753	50	10	BBGE	
Cc1ccnc(N2CCN(C)C[C@@H]2C)c1B(O)O	2052473570	UGMZRHWCQIXBIN-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1nc(C)ncc1B(O)O)C2	2052627401	LFCPDQCBBGITRL-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
CC1(CCn2cnc3c(B(O)O)ncnc32)CC1	2059246844	IMNAAWHXBDTRDJ-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
N#Cc1cc(Cl)c([N+](=O)[O-])cc1B(O)O	2060111039	GPIHTEMQMFCMDX-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@@H]2COC[C@H]21	2066310775	UXWHWIXGNXPCBC-DGCLKSJQSA-N	247.103	-0.495	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccnc(O)c1	2076079698	RURJTHXLSAEFLA-VIFPVBQESA-N	248.047	-0.382	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3COC[C@@H]32)c1	2077840689	CSMQEORMKVVTIR-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210700375	XELHSTNQJFNATP-DJLDLDEBSA-N	233.287	-0.450	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1ncncc1B(O)O	2211059448	PVNVVPXHGNWVNJ-MUWHJKNJSA-N	226.016	-0.717	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1	2211150166	CNADQEJMAJSCBE-MBXMOIHESA-N	244.722	-0.348	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC12COC2	2211838225	DUIXMLPKPMBGND-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
Cc1cnc(OC[C@H](C)CN)cc1B(O)O	2212604360	OSAGXZZOBLLUIG-SSDOTTSWSA-N	224.069	-0.957	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cn2)COC1	2212611037	TULJMAZZPUCGLF-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1cc([N+](=O)[O-])cn1	2215773469	SQYAZACHAGAPNS-HTRCEHHLSA-N	239.235	-0.193	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC([C@@H](F)CO)C1	2215776205	LLMSYPBGLGBOFT-QNSHHTMESA-N	245.298	-0.735	50	10	BBGE	
OC[C@H](CC1CC1)Nc1ccc(B(O)O)cn1	2217178588	YCFOFZFUGCZGBS-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CCC[C@@](C)(CO)Nc1ncccc1B(O)O	2217202154	ILVVRVWIRYTNJI-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
Cc1ncc(F)c(=O)n1CC(C)(C)C(=O)NN	2217259876	CZSOZQHMKGTGKK-UHFFFAOYSA-N	242.254	-0.293	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CC[C@@H]2C)ncc1B(O)O	2220611376	DRSMQLKROZPUJT-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
CN1CC[C@@H](CN(C)c2cc(B(O)O)ccn2)C1	2223637919	SUMWWSUGJPBLOD-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
Cc1cnc(N2CC[C@@]3(CCO3)C2)cc1B(O)O	2223653532	SKGZXWOWYWRWKM-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3NCCCC[C@H]32)c1	2223670640	AWEGIEPASXUSMB-ADEWGFFLSA-N	247.107	-0.686	50	10	BBGE	
O=C(COC1CNC1)N[C@H]1C[C@H](Cl)C1	2241654386	WAPCJLYSVUZLTO-LJGSYFOKSA-N	218.684	-0.139	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2243348043	SJYXBHMHAUZUTE-XNCJUZBTSA-N	223.037	-0.594	50	10	BBGE	
O=C(NCc1cncnc1)C1(B(O)O)CC1	2243363615	JPLXAXWWSDAHTR-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
C[C@@]1(CCO)CCN1C(=O)C1(B(O)O)CC1	2243365362	LNHMKBDLHJYDNL-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
CCN(CC)C(=O)c1cc(C)c(B(O)O)o1	2243378272	PRBMSZADUNKYAN-UHFFFAOYSA-N	225.053	-0.250	50	10	BBGE	
CC[C@@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382069	LFTGULHHYQHEQU-HLTSFMKQSA-N	229.085	-0.626	50	10	BBGE	
O=C(NCc1ncc[nH]1)[C@H]1C[C@@H](B(O)O)C1	2243382322	NKTZIEFOTAUAFI-KNVOCYPGSA-N	223.041	-0.721	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243392459	UHAUIOOXEXDQEC-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243398437	DSGCQSMURTWSDG-UHFFFAOYSA-N	220.037	-0.903	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1=O	2243404225	LCBRZKCFUWACFK-KKMMWDRVSA-N	225.053	-0.366	50	10	BBGE	
O=C(N[C@H]1C[C@H](CO)C1)C1(B(O)O)CCC1	2243410649	FOZKHUZLUDLGBP-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
C=C(CS(=O)(=O)N(O)C1CCCC1)B(O)O	2243412844	UVYIVRDPOROIBC-UHFFFAOYSA-N	249.097	-0.482	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)C1CC(B(O)O)C1	2243413709	LWIDRUIWDYXTRO-UEJVZZJDSA-N	224.069	0.000	50	10	BBGE	
O=C(NCc1ncco1)C1CC(B(O)O)C1	2243415918	FGULEEIGFAHKIP-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NCC1CC1	2243420835	ZYQTZVGLDPWNQR-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCS[C@@H]2CC[C@H]21	2243427655	YQMSJUKIEWUKLB-BZNPZCIMSA-N	241.121	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H](C)CC#N)B(O)O	2243432847	FEKZKYOTXYJPRT-MRVPVSSYSA-N	246.097	-0.882	50	10	BBGE	
CCC1(C)CN(C(=O)NCC=CB(O)O)C1	2243451858	GRGQXDVIFRCYHI-UHFFFAOYSA-N	226.085	-0.004	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@H]2C[C@@H]2C)n1	2247230779	LMHZPXOJJZDNGY-CBAPKCEASA-N	236.080	-0.385	50	10	BBGE	
CC(C)=CCCNC(=O)c1cc(B(O)O)c[nH]1	2247744702	WURNKKICPRTBPL-UHFFFAOYSA-N	236.080	-0.219	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)C1(B(O)O)CCC1	2247753833	JZLRSYKZVGSTOE-SECBINFHSA-N	240.112	-0.277	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(B(O)O)c(F)c1	2247761033	PZHWAYZCAKNOBP-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)cn1C	2247762501	FHMHQFSKHXJDDJ-UHFFFAOYSA-N	238.096	-0.375	50	10	BBGE	
C[C@@H](NC(=O)c1ncccc1B(O)O)C(F)F	2247772046	ZVXXTTSSBWMRBS-RXMQYKEDSA-N	244.006	-0.855	50	10	BBGE	
CC1(CNC(=O)c2n[nH]cc2B(O)O)CCC1	2247781231	IPKNBCVQULPKOH-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786650	DRIDIZKOIHUZRG-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](O)C12CCC2	2247786929	IQSXDWMBAGMWSI-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
CCCO[C@H]1C=CCN(C(=O)C#CB(O)O)C1	2247851813	KLKZVHUHFSIIMH-JTQLQIEISA-N	237.064	-0.805	50	10	BBGE	
C#CCN(C(=O)c1ccoc1B(O)O)C(C)C	2247869793	YQTUZSNSAFLFKQ-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
Cc1cc(C(=O)NCC2CC2)ccc1B(O)O	2247875178	UCXKIVWHPFVGPN-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C	2247877621	CFRSTEZSNGYZOY-XAVMHZPKSA-N	241.096	-0.079	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2247879145	RFSYJTHAUPZAKX-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
O=C(NCc1ncccc1F)[C@H]1C[C@@H]1B(O)O	2247887235	LZCCESCPWBOCAK-BQBZGAKWSA-N	238.027	-0.300	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)C1CC(B(O)O)C1	2247892643	FCFVAZBHHAVOFK-NWGYLPEXSA-N	243.112	-0.093	50	10	BBGE	
CN1CC[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247896494	HPYMXNAZLWPMTP-IVZWLZJFSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897056	NMZCJLHTIHWVBO-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
CN1CC(CN(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247897476	SUSVTSIZAAHUTN-MGCOHNPYSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1COCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898822	IADHMHKUACCBLK-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@H]1B(O)O	2247899495	NPFSNRPJQRIVMB-OEZYJKACSA-N	239.080	-0.610	50	10	BBGE	
COC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247900207	UXZXVNUXEPGKJB-XFWSIPNHSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](C)N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247900257	VHEBCIPVKMLUOC-OPRDCNLKSA-N	243.112	-0.141	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CN)CCC1	2247905279	SYMJYVANAQBHGG-DTORHVGOSA-N	240.112	-0.421	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(CCO)CC1CC1	2247910015	MCZCBRZWFIMKBZ-AOOOYVTPSA-N	241.096	-0.530	50	10	BBGE	
C#CCCNC(=O)Nc1ccc(B(O)O)cc1	2247976149	ZICBSYINVRBHLA-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2248028238	HBHVAEGLYKNKBU-RCOVLWMOSA-N	235.048	-0.790	50	10	BBGE	
C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248573509	FUWZPGREGOCMPV-PJKMHFRUSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248578107	QFHJGHFVJJWJQO-AXMZGBSTSA-N	247.031	-0.833	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1cocc1B(O)O	2249410448	NFYALSRSWDRPAA-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1cc(B(O)O)co1	2249428152	NRUBQOJFERMMBB-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NCCC#CB(O)O	2250004160	HHJYVHVJYZUJCH-JTQLQIEISA-N	241.096	-0.431	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255464198	SUWFDIFSHHQTHB-APPZFPTMSA-N	247.063	-0.883	50	10	BBGE	
O=C(Nc1ccc(F)cc1)c1n[nH]cc1B(O)O	2255549591	RTPPKKPNGKEALR-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1cncc(NC(=O)c2c[nH]nc2B(O)O)c1	2255563027	BHWDUUQKDPAMCW-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
NCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2255572493	YZCNBAPQGVVIMA-MNOVXSKESA-N	248.091	-0.376	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2C2CC2)oc1B(O)O	2255576983	NOIVXBNYSZBUAT-VIFPVBQESA-N	249.075	-0.108	50	10	BBGE	
O=C(N[C@@H]1CCn2nccc2C1)[C@@H]1C[C@H]1B(O)O	2255583823	RGMHOAIADWPCHO-SZEHBUNVSA-N	249.079	-0.823	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC[C@@H](C2)C1	2255672031	ZZCZJXMIBPVVNU-IUCAKERBSA-N	248.091	-0.433	50	10	BBGE	
Cc1ncncc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2255768515	OMXLMLFVSBZQSH-NXEZZACHSA-N	249.079	-0.394	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ncc(B(O)O)cn1	2255771281	YJSYMNBHQBWZTK-YUMQZZPRSA-N	249.079	-0.831	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1cc(B(O)O)co1	2258124287	AEHKKJWLJLBGKB-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
Cn1ccnc1C(=O)Nc1cccc(B(O)O)c1	2260826069	LILUDJBOPQEDKV-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1nn([C@@H](C)CC(=O)NN)c(=O)o1	2297013651	JCCOXLUOOAFECO-BYPYZUCNSA-N	200.198	-0.914	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@@H]1[C@H](O)[C@@H](O)C2	2297233213	FKPRSSMHZXVWCN-XQXXSGGOSA-N	219.668	-0.290	50	10	BBGE	
C[C@@H](CO)CC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369464	VLLWDEJXLSJEIM-QNSHHTMESA-N	241.096	-0.674	50	10	BBGE	
CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2298377485	SHRBAUKANVSSHE-IWSPIJDZSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)[C@H]1C[C@H]1B(O)O	2298377602	XOBNQWXVVZDGEY-BRIORKJDSA-N	233.076	-0.524	50	10	BBGE	
CNC(=O)C[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	2299680784	WLHJTSQNQMSVNL-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	2301127069	ZTXKINLNXXSIAK-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cncnc1OCc1ccccn1	2301813169	CTMHWNIQCPTTJN-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
CC[C@@](C)(CN1CCO[C@@H](CO)C1)C(=O)NN	2303420233	RKMVAHWJMGNDSC-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
CC[C@](C)(CN(C)CCOCCO)C(=O)NN	2303426640	PSRFHNQYBWPSPR-LLVKDONJSA-N	247.339	-0.667	50	10	BBGE	
C#CC1(NC(=O)c2csc(C)c2B(O)O)CC1	2303622293	XMKMSSSGBGAGDE-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
NC[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303835263	UCPDQGHGNIQFCN-KNVOCYPGSA-N	239.059	-0.950	50	10	BBGE	
CN1CC[C@@H](Oc2ccc(B(O)O)cc2C#N)C1	2317168685	XMBAJFKWLHSGBX-LLVKDONJSA-N	246.075	-0.679	50	10	BBGE	
NNC(=O)CN1CC(c2cn3cccnc3n2)C1	2326706102	DXORAJHEGKWCNQ-UHFFFAOYSA-N	246.274	-0.882	50	10	BBGE	
CC[C@H](Sc1nncn1C)C(=O)NN	82471942	AXKKMIXVHBXPGE-YFKPBYRVSA-N	215.282	-0.324	50	10	BBGE	
COC(=O)CSC[C@H]1CC[C@@H](C(=O)NN)O1	82472458	ZQMNQUPDUHVVJL-RQJHMYQMSA-N	248.304	-0.570	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)CCCl)C1=O	84083807	JEWVDNJNMKUWMA-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
CO[C@H]1O[C@H](CCl)[C@H](Cl)[C@@H](O)[C@@H]1O	110345525	VPDVIMQPZYMQKN-UOYQFSTFSA-N	231.075	-0.074	50	10	BBGE	
NNC(=O)CCCN1CCC(CC(N)=O)CC1	110598613	VNXSXPXTGAIVCM-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)[C@H](C)CCl	130228818	BCTMGEYVJGGNPJ-HTQZYQBOSA-N	248.710	-0.165	50	10	BBGE	
O[C@H](CBr)CN1CC[C@@H](O)C1	156325344	CACMIHHOPCKPKR-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
NNC(=O)NCCC(=O)N1CCCC1	157105998	LBXOPPXICUJCNT-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)NC1CC1	201105946	WGNRKLHVNQWTQB-UHFFFAOYSA-N	220.037	-0.350	50	10	BBGE	
COCCN(C)Cc1cccc(B(O)O)c1	203174916	FBBZXGIPALVYIF-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
C=CCN/C=C(/C#N)C(=O)N1CCN(C)CC1	217258220	UYMICKBPQXULQZ-KHPPLWFESA-N	234.303	-0.057	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@@H](C)[C@@H](C)C(=O)NN	222182600	XTHMXZLWDHNZAR-VGMNWLOBSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H](Br)C(=O)N(C)CC(N)=O	235109150	QUYQDCQIUVERSQ-SCSAIBSYSA-N	223.070	-0.287	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)cn1	236098109	OHWQHXKWPOUSJD-NTSWFWBYSA-N	213.624	-0.233	50	10	BBGE	
CC(C)N(CC(N)=O)[C@@H](C)[C@H](C)C(=O)NN	252603042	NQRCGUWSUSYERB-YUMQZZPRSA-N	230.312	-0.803	50	10	BBGE	
CCOc1ccc(C[C@@H](N)C(=O)NN)cc1	258943146	CRMVQWXCTIDHMC-SNVBAGLBSA-N	223.276	-0.055	50	10	BBGE	
CC[C@@H](SCC(=O)NC1CC1)C(=O)NN	300867258	QEKPXNQRPXYBMH-SSDOTTSWSA-N	231.321	-0.233	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCCN1CC(=O)NN	304475930	BDGCLSMFSJEVAC-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
Cn1ncnc1CNC(=O)NC(=O)CCl	307036082	WMKOCFMAGFRYCG-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
CSCCNCC(=O)NNC(C)=O	379375805	QPEWPCKBBYHVGC-UHFFFAOYSA-N	205.283	-0.894	50	10	BBGE	
N#Cc1csc2cc(B(O)O)cc(CO)c12	396213658	DAKGBPZCZFZBCD-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=Cc1c(CO)ccc2scc(B(O)O)c12	396332469	GHZZIFYTFILIEL-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(CC[S@@](C)=O)C[C@H](Cl)C(=O)O	398964413	QSUMOBHJFRMZKM-DAZKTRTLSA-N	227.713	-0.011	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cncnc1	404963707	FVEOPIPWMFCMJO-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)Nc2ccc(B(O)O)cc2)O1	404980641	NVMMYOXFXALGHU-LDYMZIIASA-N	249.075	-0.128	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCl	606290089	FBMSOBWSVOFSCQ-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CNC(=O)O2)CC1	687798354	QGCZPLFZGAIDMZ-MRVPVSSYSA-N	225.248	-0.555	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(=O)N(C)CC1	688935157	VVEGHABYKMSWOB-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)CCl)CC1	692115415	YGKNXRLIINNMBI-MRVPVSSYSA-N	218.684	-0.063	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)CBr	692239315	XBTGAYNIAGBNTR-UHFFFAOYSA-N	249.068	-0.468	50	10	BBGE	
CCOC[C@H]1CN([C@H](CC)C(=O)NN)CCO1	705875398	HHOOZNRAICTKAB-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)C[C@H](SC[C@H](O)CO)C(=O)NN	710065593	LWYURVOQEPGPQK-SFYZADRCSA-N	236.337	-0.523	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@@H]3C2=O)o1	715696606	AJQFJYZNYXSZGR-SVRRBLITSA-N	235.243	-0.139	50	10	BBGE	
COc1cc(N)c(C(=O)NN)c(OC)c1	716319168	VOCZWKFXOSFPIV-UHFFFAOYSA-N	211.221	-0.111	50	10	BBGE	
NC(=O)C1CC(NS(=O)(=O)CCl)C1	716704797	GFADBGAZEABTIZ-UHFFFAOYSA-N	226.685	-0.634	50	10	BBGE	
C[N+]1=C(CN[S@+]([O])(=O)CCl)N=NC1	725594504	JZBKSQTWSQPANY-ZDUSSCGKSA-N	225.681	-0.004	50	10	BBGE	
C[N+]1=C/C(=N/[S@+]([O])(=O)CCl)NC1	725635149	HNDGCGZXBHBBAO-LBPRGKRZSA-N	210.666	-0.385	50	10	BBGE	
C[n+]1n[nH]cc1[S@@+]([O])(=O)NCCCl	725680517	OHWCIYJVJMVPBV-ZDUSSCGKSA-O	225.681	-0.819	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncon1	1134614845	PWRXMOBOAGFPOT-NTSWFWBYSA-N	240.219	-0.744	50	10	BBGE	
NC(=O)C1(NC(=O)CCBr)CC1	1142731670	KUCRQINSTHUXMZ-UHFFFAOYSA-N	235.081	-0.095	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cn2ccnc2)cn1	1324042082	LKBCCQHWCWNOSA-UHFFFAOYSA-N	248.246	-0.922	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ncccn2)O1	1329691799	AFPZVADBNJVUEJ-ZCFIWIBFSA-N	222.204	-0.375	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1cnn(C)n1	1464543203	FXBONYQOCQCURU-UHFFFAOYSA-N	240.267	-0.950	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@@]1(O)CCOC1	1538846674	ZDNMLDGJNUPQSX-SECBINFHSA-N	247.320	-0.959	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	1556814617	NYGUTGQQFQAKIL-BWZBUEFSSA-N	223.232	-0.528	50	10	BBGE	
O=C1CNCC(=O)N1C[C@H]1C[C@H]1Cl	1883551895	KYZXGFUDOPHRPO-PHDIDXHHSA-N	202.641	-0.428	50	10	BBGE	
Cc1cn2cc(B(O)O)cc(Cl)c2n1	1884656163	PGQGUFPQADMWNJ-UHFFFAOYSA-N	210.429	-0.024	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CC(O)(CO)C1	1885938869	RCDHZXDFZUKFDQ-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
O=S(=O)(CCCl)NCCC(CO)CO	1886267207	IFJWEBOYNJLGFJ-UHFFFAOYSA-N	245.728	-0.865	50	10	BBGE	
NC(=O)[C@H]1CN(C(=O)CCl)CC12CC2	1892602498	FWSVEXDVJDYRPD-ZCFIWIBFSA-N	216.668	-0.051	50	10	BBGE	
CC(C)(CN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	1895056923	AVXMRSNKCJMSEM-KCJUWKMLSA-N	227.308	-0.541	50	10	BBGE	
O=C(C[C@@H]1C[C@H]1C1CC1)NCC#CB(O)O	1897284406	UOFCJSLEKGOFEG-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](CN1CCC2CC1(CO)C2)C(=O)NN	1900055169	ARYKUCKUHDPCHK-FKTRJACZSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](F)C2=O)CCC1	1901645915	AXHCZONTGRVGHS-SSDOTTSWSA-N	229.255	-0.283	50	10	BBGE	
CC(C)=C(CN1CC[S@](=O)[C@H](C)C1)B(O)O	1901703198	UKFYCIARUYOTSU-ABKXIKBNSA-N	245.153	-0.212	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC=C[C@H](O)C2)C1	1908357484	HFPPLFHVCLIMLW-AXFHLTTASA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2COC[C@H]21	1910356592	FKWJVXMEKFVAIY-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
O=C(NCC1CC1)Nc1ncccc1B(O)O	1913667810	HWRADACUQKQYLQ-UHFFFAOYSA-N	235.052	-0.707	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](O)C12CCC2	1914396914	STYKIXMOBZJFQQ-MRVPVSSYSA-N	213.281	-0.644	50	10	BBGE	
COC[C@@H]1CC[C@H](N(C)C(=O)C(=O)NN)C1	1918717253	IPYJRTHROPKFOZ-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
N#CC1(C(=O)NNC(=O)C(F)(F)F)CC1	1923408154	VZDIPPIMYJJFQN-UHFFFAOYSA-N	221.138	0.000	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CCC[C@@H](C1)OC2	1925090510	VRJVSWBPWLKKRY-RCOVLWMOSA-N	213.237	-0.355	50	10	BBGE	
COC[C@](C)(CO)CNS(=O)(=O)CCl	1926989230	GDFQAZSGDKWJFR-ZETCQYMHSA-N	245.728	-0.253	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927917572	XIFXLRNNSDQBPW-HRDYMLBCSA-N	210.281	-0.296	50	10	BBGE	
CCCCN(CCO)CC(F)(F)C(=O)NN	1935933099	VVJNCUJBYIBPFQ-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
N#C[C@@H]1CCCN(CCOCC(=O)NN)C1	1936529161	JWZOTHHCDKOVEL-VIFPVBQESA-N	226.280	-0.772	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COC[C@H]1CCl	1937179180	HCGRRUUBCROHPB-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1csnn1	1937710124	CYGYHKXLGXXRHD-NKWVEPMBSA-N	243.336	-0.016	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC2(C(=O)NN)CC2)CO1	1938247351	RTTOYDGQCCLIJN-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)C1CN(CCOCC(=O)NN)C1	1938438134	MZMAQUONPRSWEP-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@@]2(CO)C1)C(=O)NN	1942496071	VVXGXGUKFOJXHY-SKDRFNHKSA-N	241.335	-0.293	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2(CC(O)C2)C1	1942499346	KGQKNKPIAYZAKF-SECBINFHSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2[C@H](O)C[C@H]2C1	1946109620	IVJKDXNFPKVBEY-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2C[C@H](O)C[C@H]2O)C1=O	1960150242	RIARLVLLJDRQQO-WHQQTDPMSA-N	233.695	-0.042	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([S@@](C)=O)C1	1961563753	LJCKFUKJPYYKHF-VXJOIVPMSA-N	233.337	-0.936	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962122133	WHLKCRXBGKBCGR-QYNIQEEDSA-N	234.683	-0.237	50	10	BBGE	
C[C@]12CCCN(C(=O)C(=O)NN)[C@@H]1COC2	1976539153	CJDMOSAQHPLDJH-GMSGAONNSA-N	227.264	-0.996	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2CC[C@H]2O)[nH]1	1977162025	QHILAPNRACKYDD-NTSWFWBYSA-N	243.698	-0.577	50	10	BBGE	
COC(C)(C)[C@H](NC(=O)NN(C)C)C(=O)O	1981022394	QSYLJLAGDYEGQO-ZCFIWIBFSA-N	233.268	-0.360	50	10	BBGE	
Cc1ncnc(OCC(F)(F)F)c1B(O)O	1981424248	QLBSPLUEMUXZBW-UHFFFAOYSA-N	235.958	-0.594	50	10	BBGE	
Cc1cnc(N(C)CC(F)F)c(B(O)O)c1	1981468895	JPBJSNISZFGIMF-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
C[C@@H](COc1ccc(B(O)O)cn1)N(C)C	1982815866	FOIPIUOQVICGRD-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
C[C@@H](Cn1ccc(B(O)O)n1)OC(C)(C)C	1989538585	JDSVBKHFTYUIFW-QMMMGPOBSA-N	226.085	-0.234	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCO1	1990773796	ABCOLANUROIVCF-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
NC[C@H]1C[C@H](CNC(=O)/C=C/C(=O)Cl)CO1	1991707341	ZGHJLRURPDIZET-XLNBVVSQSA-N	246.694	-0.212	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@]1(C)CCO	1994706755	IKJNEXLBMHNWQS-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CO[C@H]1[C@@H](N(C)CC(=O)NN)CC12CCC2	1995097794	NZRJQHQSJWUHBP-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999849044	WZHRDGMFFYTTES-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3(F)CC2C3)O1	2002397644	BEVSPJVNSFOLDJ-UVCIYIGYSA-N	243.282	-0.290	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CN(C)CC[C@H]21	2004168484	GOCRLPFHYUTMDU-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CCO[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2004912346	RSQVOSMGSFBGDD-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2004930141	RJQHRUYBCQCQDB-ATZCPNFKSA-N	232.092	-0.004	50	10	BBGE	
Cc1nc(OC2CCOCC2)ncc1B(O)O	2004930170	RRWDXCFFPIEYDF-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1C[C@H]2C=C[C@H]1C2	2004934329	DYIGGPVZYHYZKZ-NRPADANISA-N	232.048	-0.500	50	10	BBGE	
Cc1nccn1[C@H](C)C(=O)NCC=CB(O)O	2020062698	UNWYRECWKJZGIM-MRVPVSSYSA-N	237.068	-0.563	50	10	BBGE	
COC[C@@H](C)CC(=O)N[C@H]1CCC=C1B(O)O	2020067475	HXUPHRDDGPYZIP-WPRPVWTQSA-N	241.096	-0.124	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@](C)(COC)OC	2021119095	FZSBWDIHEWSSHW-KOLCDFICSA-N	247.339	-0.262	50	10	BBGE	
CC1(C)[C@H]2C[C@H](C(=O)NCC#CB(O)O)C[C@H]21	2021157226	JGJOFDSZHQZLRA-OWUUHHOZSA-N	235.092	-0.200	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1C[C@@]12CCOC2	2021273827	PFACGSBMXFOZEK-GXSJLCMTSA-N	244.291	-0.564	50	10	BBGE	
CCCN(OC)C(=O)c1ccc(B(O)O)cc1	2022196057	GAWWFFLXOGFPNY-UHFFFAOYSA-N	237.064	-0.220	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1C[C@H]1C1CC1	2040766667	HHTNUOVUSVLHQI-DTWKUNHWSA-N	247.063	-0.859	50	10	BBGE	
O=Cc1c(F)ccc([N+](=O)[O-])c1B(O)O	2060053468	ANJYLPXVYWKHCH-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1ccc(C)c(B(O)O)c1C#N	2060204692	HBAIVRQMXWVZGE-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C12CC(CO1)C2	2072851519	PBNSJIMDHYVNFI-UHFFFAOYSA-N	247.059	-0.516	50	10	BBGE	
NC(=O)[C@H]1CCN1CC(=O)NNc1ccccn1	2075113039	VETIHTAISIZEMM-MRVPVSSYSA-N	249.274	-0.916	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)c1cccc(B(O)O)c1	2079007910	BJTAKJVASUZMEU-ONGXEEELSA-N	249.075	-0.869	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NNC(N)=O)O1	2209648133	VARGZWLAWFHMJW-WDSKDSINSA-N	201.226	-0.357	50	10	BBGE	
C=C[C@H](CC)O[C@H](COC)C(=O)NN	2210034409	XQBHSBBNXRGYTK-HTQZYQBOSA-N	202.254	-0.028	50	10	BBGE	
C[C@@H]1CN(Cc2nscc2B(O)O)CCO1	2211137507	HPMUYQNGSZTHBI-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@@H](O)[C@H](O)C[C@H]2C1	2211734583	RBMYURFOTQZUSG-RCZSTQMZSA-N	249.738	-0.350	50	10	BBGE	
N#Cc1nccn1C[C@H]1CC[C@@H]1C(=O)NN	2211827745	MHFYTXHXWNSVDX-SFYZADRCSA-N	219.248	-0.229	50	10	BBGE	
Cc1cnc(N[C@H](C)CCN)cc1B(O)O	2212603596	HBMCUTVOULBNAI-MRVPVSSYSA-N	223.085	-0.781	50	10	BBGE	
C[C@H]1[C@@H](Nc2cc(B(O)O)ccn2)C1(F)F	2212612862	PQXZNVZIIUWJRX-YLWLKBPMSA-N	228.007	-0.173	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215775231	ZSJJLCRRYFKTBV-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCCN1	2217175434	IRLGNJWGUBSVEF-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCOC[C@@H]2C3)nc1	2217183334	HLBNRYKWZYCKQP-KWQFWETISA-N	234.064	-0.648	50	10	BBGE	
CC(C)COCCNc1cc(B(O)O)ccn1	2217194721	CDOFGTILBZRJBM-UHFFFAOYSA-N	238.096	-0.154	50	10	BBGE	
C[C@@H]1C[C@H]1CCCn1cc(B(O)O)cnc1=O	2217408679	IUXRYLHKNFGRQV-RKDXNWHRSA-N	236.080	-0.641	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)C[C@@H]2NCC[C@H]21	2223656138	IXMKSTCXVMZWJN-SCVCMEIPSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)c1cc(B(O)O)ccn1	2223675916	UHZJIQWLNQMDGQ-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
CN(Cc1ccccc1)C(=O)C#CB(O)O	2241468600	RACDCFRIGVBMMO-UHFFFAOYSA-N	217.033	-0.340	50	10	BBGE	
C[C@@H](n1cc(B(O)O)cn1)C(F)(F)F	2242493746	MTVIIKDMXQCYKB-SCSAIBSYSA-N	207.948	-0.314	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1cccc(F)c1	2243357003	PXKJIJNMPXMKHA-UHFFFAOYSA-N	220.996	-0.196	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)CC(C)(C)O1	2243361489	BYVKGFZLHZHUAK-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)o2)[C@H]1C	2243362608	UEOYFNBQMGLERI-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
C[C@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CC1	2243364091	QQIKUVRGYLXELK-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2243392280	SPAUDAWGUAGCBL-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
CC[S@](=O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396904	SIZLADRWYWJKNW-UFIJUMAVSA-N	247.125	-0.876	50	10	BBGE	
O=C(NCCCNC1CC1)C1(B(O)O)CC1	2243409406	HHZOQCKZHMADES-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]2CC[C@H]1O2	2243669475	LXKINZQNXWVGQO-XLPZGREQSA-N	227.264	-0.807	50	10	BBGE	
Cn1ncc(Cl)c1C(=O)NCC=CB(O)O	2243673816	ATNSKUDJYZLYDB-UHFFFAOYSA-N	243.459	-0.629	50	10	BBGE	
O=C(NCC=C(F)F)c1nscc1B(O)O	2243772321	ZQWBNOCIRDPFCP-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
CCS(=O)(=O)CCN1CCC(B(O)O)CC1	2244177629	OHRRARBIUZCGPO-UHFFFAOYSA-N	249.141	-0.640	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)co1	2244218977	CZUGQBQDHHHBNU-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
N[C@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2244705308	BVIFXJMOYDVVGY-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
CN(CC(=O)NN)CC12CC(C(F)F)(CO1)C2	2247368463	SERKKOMKVPGRRI-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
CN(CCCF)C(=O)c1ccncc1B(O)O	2247735346	LYAXXWSBIWHNRF-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
C[C@H]1CCC[C@H](CN(C)C(=O)C#CB(O)O)O1	2247741524	BECCAPRLHYSUHH-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC(F)(F)C1	2247748134	YIIFPBFUPZUWDG-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
C[C@](N)(CNC(=O)C1(B(O)O)CC1)C1CCC1	2247754380	GHVQGGJUAFHXTL-JTQLQIEISA-N	240.112	-0.373	50	10	BBGE	
Cc1cnc(C(=O)N[C@H](C)CF)c(B(O)O)c1	2247787095	KUBMYQGXPPYWGI-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
CCC(CC)(CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247796813	CYGAONXEPVNRLQ-BDAKNGLRSA-N	243.112	-0.236	50	10	BBGE	
C[C@H](O)CC(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247797539	KPENTUHOPLDZGF-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2247799299	BPGWHZZBAIFGRQ-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCC1(CO)CCC1)C1CC(B(O)O)C1	2247799775	HVLRICOOEMHGEB-UHFFFAOYSA-N	241.096	-0.482	50	10	BBGE	
C[C@@]12CC[C@@](NC(=O)[C@H]3C[C@@H]3B(O)O)(CO1)C2	2247805328	BHUMXSZOKVTRHP-UUTMEEIUSA-N	239.080	-0.323	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]1CCCO	2247806277	DVPJKNVUEBGVJG-BBBLOLIVSA-N	241.096	-0.387	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808372	URBHOHPAHONCFB-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCC=CC1CC1)c1ccc(B(O)O)o1	2247841761	LVYMSPFPOJKXEA-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1NC(=O)C1(B(O)O)CC1	2247871634	FJSLPGWEHODCMR-BDAKNGLRSA-N	240.112	-0.504	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H](C)CF)c1B(O)O	2247873604	KICYGJKXXHNBSQ-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@@H]1F	2247874593	NCWLUWMFSVGVRS-DTWKUNHWSA-N	237.039	-0.485	50	10	BBGE	
C=C[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2247877897	GFDMPACKCYYQIF-SECBINFHSA-N	235.048	-0.346	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CC[C@@H]21	2247877977	GTRQBYPXUKUROK-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CCc1nn(C)cc1NC(=O)C1(B(O)O)CC1	2247879297	SEWRGCXBBYYAOM-UHFFFAOYSA-N	237.068	-0.072	50	10	BBGE	
C[C@H](CCCO)CNC(=O)C1CC(B(O)O)C1	2247892863	IXMDZGYADFLIKJ-XNWIYYODSA-N	243.112	-0.236	50	10	BBGE	
Cc1cnn(CCNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247895104	OMNKUSQOVQXQDH-DTWKUNHWSA-N	237.068	-0.829	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247895859	BVHLBQOMHNPLRL-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
O=C(NCC1(F)CC(CO)C1)[C@H]1C[C@H]1B(O)O	2247896552	ZNXBQBQFQZIQKR-DOPNHTQNSA-N	245.059	-0.924	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCn2ccnc21	2247897446	SJOKHYFOQYRWCF-ZKCHVHJHSA-N	235.052	-0.517	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3CC[C@H]3C2=O)CC1	2248080703	JJCVQHCTDGEUDI-RNFRBKRXSA-N	237.259	-0.849	50	10	BBGE	
CC=CC(=O)N(C)Cc1ccc(B(O)O)cc1	2248395623	OKPCSYZCSMJOGZ-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
CC[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)CC(=O)O	2248584668	ABSMVYXLMMVMPV-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
C#CCN(OC)C(=O)c1cccc(B(O)O)c1	2249515810	INQXSMASTUXJEM-UHFFFAOYSA-N	233.032	-0.997	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)[C@@]2(C)O)C(=O)NN	2249612859	BWRVXYRELRLIFL-BZBKMWRSSA-N	241.335	-0.295	50	10	BBGE	
COc1nn(C)cc1NC(=O)[C@H]1C[C@H]1B(O)O	2250088675	DGHYZEIAZUQSKA-NTSWFWBYSA-N	239.040	-0.770	50	10	BBGE	
Cc1nnc(NC(=O)C2CC(B(O)O)C2)n1C	2250820699	QPCUTDYELNXZDP-UHFFFAOYSA-N	238.056	-0.685	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)c[nH]1	2255462848	AUCRALGSHCPLRH-JZYVYDRUSA-N	248.091	-0.387	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(F)cc1B(O)O	2255497868	IWSNIQNOGQKLEW-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(B(O)O)cn1	2255520113	GUTUWWFDZGKRKI-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)n[nH]2)CC=CCC1	2255548438	SVCHSMKCCXZYPO-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)c(B(O)O)c(C)c1	2255555846	HJWKKKRKXFXACK-JTQLQIEISA-N	245.087	-0.265	50	10	BBGE	
O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H]1B(O)O	2255567994	HYMDPSUKDLEKQO-AXFHLTTASA-N	249.075	-0.301	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(CC=CC2)C1	2258153166	PFIVYYJBPFZFIU-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C[C@H]1C[C@H]1C(=O)NN	2298180028	IGXUEIPXNKYNJN-LMLFDSFASA-N	240.351	-0.363	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368589	NJBGGXHVCFBDQL-RKYHVTRTSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369917	IWVWNKQFQFYLSI-UTINFBMNSA-N	240.112	-0.646	50	10	BBGE	
CN1CC[C@@H]1COC[C@@H]1CC[C@H](C(=O)NN)O1	2299030014	HASYVPNKSJJZEA-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
C[C@]1(O)CON(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300368179	GNRMDQBQFOPWAG-WCABBAIRSA-N	243.307	-0.609	50	10	BBGE	
OB(O)c1cnccc1OCc1ccccn1	2301815251	OAHLZAWUPFUVRK-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
OB(O)[C@H]1CCN(CCCN2CCOCC2)C1	2303134308	PRMXUDOSHNRCNF-NSHDSACASA-N	242.128	-0.743	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(CCOCC(=O)NN)[C@@H]1C	2304190804	PNFQVCUJVLDTQL-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(CCO)Nc1ccc(B(O)O)cc1C#N	2317161512	CXEMMGZETSCNTR-UHFFFAOYSA-N	248.091	-0.189	50	10	BBGE	
O=Cc1ccc(NCc2cocn2)cc1B(O)O	2317349243	ZIFIPELPUNXPHX-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)C1=O	70652504	MWGQURAGYWHPDN-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
NNC(=O)CCCCN1CCn2cnnc2C1	81544496	VSEVXWNEDJXRFX-UHFFFAOYSA-N	238.295	-0.746	50	10	BBGE	
NNC(=O)c1coc(CN2CCOCC2)c1	82466049	SMTNIJMPSUZODI-UHFFFAOYSA-N	225.248	-0.285	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC(C)(C)C1	82467996	RWYFHAZZNBNKNM-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CCc1ccccc1CNC(=O)C(=O)NN	82775015	MEBANWAQSRSPRB-UHFFFAOYSA-N	221.260	-0.145	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2c[nH]nn2)CCCO1	152258189	LQUWSYBHRBJDDF-VIFPVBQESA-N	239.235	-0.865	50	10	BBGE	
CC[C@H](CO)NC(=O)C(=O)NCCCCl	170359220	XKESIIFJCGWTIA-SSDOTTSWSA-N	236.699	-0.381	50	10	BBGE	
OB(O)c1cncc(-c2ccccn2)c1	203613213	CBBBZPIVXOXUSA-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	211806824	MBJDWWRZXRQUPB-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
O=S(=O)(NCCCl)c1ccn[nH]1	223293126	LFXJSHMMGOJKOE-UHFFFAOYSA-N	209.658	-0.073	50	10	BBGE	
COC[C@H](OCCC1CC1)C(=O)NN	229575962	MIEDCZLAAHUDTE-QMMMGPOBSA-N	202.254	-0.192	50	10	BBGE	
CN1CC[C@H](NS(=O)(=O)CCl)C1=O	230278476	JJIQMZWXVHODNO-YFKPBYRVSA-N	226.685	-0.667	50	10	BBGE	
NNC(=O)c1cccc(Cn2cnccc2=O)n1	236256137	MSMZPRCGIJMYEB-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
OB(O)c1cncc(F)c1C(F)(F)F	238636705	CCVRGXMFWAYNDN-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CC(C)(O)c1ccc2c(c1B(O)O)OCO2	258380311	IPOATRKQVMGVRU-UHFFFAOYSA-N	224.021	-0.678	50	10	BBGE	
NCCc1ccc2c(c1)CC(=O)N2C(=O)NN	258763167	NJCLORIAZMPDQN-UHFFFAOYSA-N	234.259	-0.340	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1CO	299906956	GEYBRCBTQCXVQQ-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
C[C@H]1COCCN([C@H](C)C(=O)NN)C1	306959307	XJZBDQSHGLADRP-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@@H]([C@H](O)[C@@H]2O)[C@@H]1CCl	307349370	FWCUIQMBBGFVSD-MSKRCNKPSA-N	206.669	-0.179	50	10	BBGE	
C=CC[S@@](=O)C[C@@H]1NC(=O)OC1=O	308101084	DTRNEULWCYIUDQ-VPROBKIXSA-N	203.219	-0.444	50	10	BBGE	
CNC(=S)NNC(=O)CCCNC(C)=O	308960996	GBJWITZXVIPBDV-UHFFFAOYSA-N	232.309	-0.972	50	10	BBGE	
CC[C@@H](N=c1[nH]c(CCl)nc(=N)[nH]1)C(N)=O	379212330	FOYXIYQGDJLELE-SCSAIBSYSA-N	244.686	-0.879	50	10	BBGE	
CNCCS[C@H](C(=O)NN)C(C)C	382639973	CHFHWWWVDKVZMJ-ZETCQYMHSA-N	205.327	-0.047	50	10	BBGE	
C[C@@H](CN1CC[C@]2(CCN(C)C2)C1)C(=O)NN	383896295	MUEJSHZUTSXWIN-JQWIXIFHSA-N	240.351	-0.360	50	10	BBGE	
CN1CC[C@H]2CC[C@@H](C1)N2CCCC(=O)NN	394361993	BSEUNJZLBGHSGO-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](O)CN(CCO)CCC(C)(C)C(=O)NN	395623168	YINJDPONZMZONB-SECBINFHSA-N	247.339	-0.932	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1/C=C/C(=O)O	396131917	GOOAHBMCJUPIAF-GQCTYLIASA-N	248.043	-0.404	50	10	BBGE	
Nc1cc(C(=O)O)c2c(B(O)O)csc2c1	396240680	KRRAIOMLAYWYEL-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1sc2c(CO)cccc2c1B(O)O	396333262	HKWVPFWRKGCMCX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1sc2cc(O)ccc2c1B(O)O	396381771	LIBSFVVTEBVEQP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H]1CCOC1	398855282	UCPVXNQOLKPJIS-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2CCCO2)cc1B(O)O	404999471	IYPPMHCYHYJEAR-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2CCOC2)ccc1B(O)O	405013270	ZHVVMJTXDPKXCX-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
C[C@H](NC(=O)N(C)C)c1cccc(B(O)O)c1	405135913	JMCULACYQYPDEK-QMMMGPOBSA-N	236.080	-0.301	50	10	BBGE	
Cc1cc(C#N)c(C(=O)O)c(B(O)O)c1	536955247	WFBDQLCGICJNPL-UHFFFAOYSA-N	204.978	-0.755	50	10	BBGE	
Cc1nccn1CC(F)(F)C(=O)NN	685956812	GKFUETWBNZVLHD-UHFFFAOYSA-N	204.180	-0.183	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(=O)N(C)CC1	688933094	CWSQVICTBPMSCB-SNVBAGLBSA-N	242.323	-0.835	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCC[C@H]2N)CC1	692089741	DKCOEZVKCOOMEA-WDEREUQCSA-N	239.319	-0.299	50	10	BBGE	
CN1CC[C@@H](CN2CCC(O)(C#N)CC2)C1=O	692697748	BUYHAVOVOQEGIK-JTQLQIEISA-N	237.303	-0.185	50	10	BBGE	
CCN(CC1CN(C)C1)[C@@H](C)CC(=O)NN	692721415	UYFFCWCQYJDZTN-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](O)C1	695069903	NFPZMMSZYJNAFI-IUCAKERBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CN1CCC(N2CCC2)CC1)C(=O)NN	700437188	MBDSDOUVEMXTCJ-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CN(C)C(=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703424083	HEXZWCRCUSRYKY-YUMQZZPRSA-N	240.259	-0.619	50	10	BBGE	
NNC(=O)N[C@@H]1CCN(C2CCC2)C1=O	709093596	DZEDIZNGMRHRGR-SSDOTTSWSA-N	212.253	-0.687	50	10	BBGE	
CC[C@@]1(O)CCCN(CC(=O)NNC(C)=O)C1	710636945	XFOXRIVZPVJHLO-LLVKDONJSA-N	243.307	-0.609	50	10	BBGE	
CCOC[C@H](Cl)CNCCn1cnnn1	712593301	YBAMXCWHXJEVMZ-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H]2C[C@@H]2C1=O	715703768	REVUXVXKRWEIBH-SVRRBLITSA-N	235.243	-0.139	50	10	BBGE	
C[C@H](CCl)S(=O)(=O)[C-]1NC#CN(C)C1=O	725449904	ZKGFGVCFPKUXEO-ZCFIWIBFSA-N	249.699	-0.502	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H]1COC(=O)N1	887147762	ATMVEHYKDRTOJK-SSDOTTSWSA-N	239.231	-0.954	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)C(C)C	919926176	ITFNHYYGAMKRGL-UHFFFAOYSA-N	232.280	-0.157	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nc1C	932225951	KHPRXOBUBAIOGX-HTRCEHHLSA-N	238.247	-0.486	50	10	BBGE	
COCCN(C)NC(=O)C(C)(C)NC(C)=O	1157606145	IYQRFIVOAGPJIE-UHFFFAOYSA-N	231.296	-0.490	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@H](C)CCl	1259028782	QZHMCCCHPMKVGD-ZCFIWIBFSA-N	243.712	-0.046	50	10	BBGE	
Cc1cc(NNC(=O)c2ccnn2C)nc(N)n1	1558033362	HQNFFXXWQQZXPV-UHFFFAOYSA-N	247.262	-0.142	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)[C@H]1COCCO1	1566168923	YGEVDVPJLVXMSG-JGAIRUGNSA-N	242.275	-0.095	50	10	BBGE	
O=C(NNC(=O)c1cccnc1O)c1ncon1	1653025373	YSTVJHCLOIAHLH-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
Cn1nnnc1CNC[C@H]1C[C@@H]1Cl	1883552167	LUZBYHJJMNPQPZ-RITPCOANSA-N	201.661	-0.073	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H](O)CF	1883646700	CBVMZKKXWKOPCR-INIHDHCDSA-N	209.604	-0.245	50	10	BBGE	
COC1CN(S(=O)(=O)N[C@@H](C)CCl)C1	1884680853	PSMOIKKJKJZEDO-LURJTMIESA-N	242.728	-0.221	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@H](C)CC(=O)NN	1885790863	OYIFHLPRMMEKBT-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1[C@H](O)CN1CC(C)(C)C(=O)NN	1885872224	KJUXCMUAEFNWMT-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893445668	FGZFLMWRKPJGDA-SRQIZXRXSA-N	221.640	-0.171	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893474586	KOGAXTJAIZYDFH-HCWXCVPCSA-N	221.640	-0.171	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1O)C1CC(Cl)C1	1893490819	MUGVTYILADSEMJ-RLXKETGRSA-N	219.668	-0.120	50	10	BBGE	
COc1ccc([C@@H](N)[C@@H](O)C#N)c(OC)n1	1894483945	MWRUSWHUSVSZTD-IONNQARKSA-N	223.232	-0.017	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C1(C)C	1900685449	CHPKLGJSBWPRLH-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](CO)Sc1ccc(B(O)O)cc1C#N	1901201628	DOPLRGDNGOIWNI-ZETCQYMHSA-N	237.089	-0.289	50	10	BBGE	
NNC(=O)CCOC[C@H]1CCc2nccn21	1904710725	AQPQVJJTRPVVEK-MRVPVSSYSA-N	224.264	-0.233	50	10	BBGE	
COC[C@@]1(C)CC(=O)N([C@H](C)CC(=O)NN)C1	1906948445	PGUYKDAZARWHKR-KCJUWKMLSA-N	243.307	-0.360	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@@H](C(=O)NN)C(C)C	1907703251	BHCLXTLPXNVNIM-IVZWLZJFSA-N	245.323	-0.654	50	10	BBGE	
COCCCOC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909805925	SFEFNAZLQFHPIG-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
COc1cccc([C@H](N)B(O)O)c1OC	1912278411	YTZXSTHOVZIYKD-VIFPVBQESA-N	211.026	-0.284	50	10	BBGE	
CS(C)(=O)=NCC1(C(=O)NN)CC1	1913523694	YUDBBHIWTNKQAY-UHFFFAOYSA-N	205.283	-0.516	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C1COC1	1915658125	NPMVANGNOZKLQP-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
O=C(NNCCO)[C@@]12CCCN(CC1)C2	1929834993	LGDNJZFKAQOJJY-JTQLQIEISA-N	213.281	-0.915	50	10	BBGE	
O=C(CSc1ccncc1)NNCCO	1929836694	NXCPTMBQDGXGAJ-UHFFFAOYSA-N	227.289	-0.213	50	10	BBGE	
CC(C)c1nc(C(=O)NNCCO)n[nH]1	1929836791	PIXQIXADVIEDCP-UHFFFAOYSA-N	213.241	-0.845	50	10	BBGE	
CN(C)NC(=O)CO[C@@H]1CCCNC1	1932653302	XVOHDRVRFXVZOV-MRVPVSSYSA-N	201.270	-0.652	50	10	BBGE	
Cn1[nH]c(=NC(=O)NN)cc1Br	1934626625	YPSODEGDLUOKBO-UHFFFAOYSA-N	234.057	-0.400	50	10	BBGE	
Cc1cccc(=O)n1C[C@@H]1C[C@H]1C(=O)NN	1936090471	ICGFDJSHYQTGFL-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1CCOC[C@H]1Cl	1937148011	YLDOZCUFCYCQAR-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)OCC(F)(F)F	1937150842	OTDDVCOGUBYKRG-RXMQYKEDSA-N	245.201	-0.583	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093098	DZVVNGQHHRJRLX-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(CCOCC(=O)NN)C1	1941781253	ZCGJUSGRUPIKLY-SECBINFHSA-N	243.307	-0.503	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)C[C@@H]2CO	1944030628	XBKCTHBOXLNCNR-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
N#C[C@H](O)[C@@H](N)Cc1ccc(O)c(O)c1	1952838065	GFMJMKFYMRFWFG-XVKPBYJWSA-N	208.217	-0.148	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CC[C@@H]1O	1953522395	SEZOPRDHPDSNJV-RITPCOANSA-N	213.686	-0.332	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2C[C@H]2CCl)n1	1955099197	CGGMBPPSXJTQCK-WHFBIAKZSA-N	215.644	-0.433	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)CC[C@H]1O	1956255666	BXVHFJUEVRPVRL-DJLDLDEBSA-N	223.700	-0.739	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957357946	ARIDPCOQUBEXTH-NKWVEPMBSA-N	236.362	-0.082	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]21)C(=O)C(=O)NN	1957993874	DLDITMMINBKSJW-BIIVOSGPSA-N	211.265	-0.519	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1CCO1	1958937827	QMYOKQXCKHPLCD-MRVPVSSYSA-N	208.022	-0.466	50	10	BBGE	
O=C1NC(=O)N2CCN(CCCCl)C[C@H]12	1961454440	KSLIRSDVEDJBBG-SSDOTTSWSA-N	231.683	-0.149	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1961572220	QMPGGUVJWRMMIW-UYXSQOIJSA-N	213.281	-0.790	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@]12CC2(F)F	1961597040	NIAZJPNGPPATPP-MHTLYPKNSA-N	219.191	-0.862	50	10	BBGE	
OB(O)c1cnc(OC2CCC2)c(F)c1	1961688560	VZLKEKIWXUSLEE-UHFFFAOYSA-N	211.001	-0.168	50	10	BBGE	
CCN(OC)c1ncc(B(O)O)cc1Cl	1961717475	AYOJCSVNONMTFR-UHFFFAOYSA-N	230.460	-0.198	50	10	BBGE	
NNC(=O)c1sncc1COC1COC1	1961917402	ASZJQJXIYOLYLB-UHFFFAOYSA-N	229.261	-0.338	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)[C@H]1CCCO1	1974878287	BKRCLCJWEQFNMF-PHDIDXHHSA-N	233.293	-0.955	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)C(=O)NN	1980047161	UXTHRDKZXQFBEA-XLPZGREQSA-N	227.264	-0.998	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1F	1981408790	FGNMCUQWOPNRHK-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H]1F	1981421788	FOAZPHWRORNBLJ-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCCN2)CC1	1981488199	XLKQDPODLBSYMY-JTQLQIEISA-N	225.292	-0.675	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCC(=O)N1CCOCC1	1982343968	ORNDOZAHYCKGHX-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
COC[C@@H](Sc1ncc(C)n1C)C(=O)NN	1983441508	TVPQIQSGXZTSBL-SSDOTTSWSA-N	244.320	-0.174	50	10	BBGE	
NNC(=O)CCN1CCCC2(CC(O)C2)C1	1986977592	WCYJJSCHWNBWHT-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](CN1CC2(CCCN2C)C1)C(=O)NN	1987147426	KBHDNXWOWDTYMG-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cncc(B(O)O)c1	1987770579	IANSAXZLXKMQQN-XVKPBYJWSA-N	223.037	-0.825	50	10	BBGE	
C=C[C@@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1990540964	WUQAWBGNXYWXHF-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
COC(=O)[C@H](CNC[C@@H]1C[C@H]1Cl)NC(C)=O	1991432022	IIAJVZBJHSTZAI-YIZRAAEISA-N	248.710	-0.119	50	10	BBGE	
COC[C@H](O[C@@H]1CCCN(C)C1)C(=O)NN	1992113302	IZUSSSGOMWHQMC-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccccc1F	1992145722	NUTGMZUMJBQKCD-UHFFFAOYSA-N	220.996	-0.429	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2[C@@H]1C2(F)F)C(=O)C(=O)NN	1996489169	XJVNDJBUTRKTRY-LYFYHCNISA-N	247.245	-0.274	50	10	BBGE	
CC(C)(CN1CC[C@@H](OCCO)C1)C(=O)NN	2001032764	ZWXBWFNYNPPKHI-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	2001045119	FNBJLNFWXLYPNZ-YUSALJHKSA-N	241.335	-0.151	50	10	BBGE	
CCCNC(=O)C1CN(C[C@@H](C)C(=O)NN)C1	2002652597	BGEZJGMGZIVPQO-MRVPVSSYSA-N	242.323	-0.930	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2004934248	CTBDORZGFIMATN-ATZCPNFKSA-N	232.092	-0.004	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006199440	SKDGOFUNAVYOEV-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@H](F)C1	2008840288	KIIMXGDYQRANJC-SCZZXKLOSA-N	239.055	-0.334	50	10	BBGE	
NC(=O)NNC(=O)c1cccc(OC(F)F)n1	2010836539	ASRSLOGLRKILTH-UHFFFAOYSA-N	246.173	-0.004	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(C2(O)CC2)CC1	2013931016	WVVMBEIPJAITLL-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C=C[C@]1(O)CCCN(CC(=O)NNC(C)=O)C1	2018878555	XNPUEQFRUIXZFO-NSHDSACASA-N	241.291	-0.833	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2COC[C@@H](C2)C1	2019178271	CMSOIVSPXFRAPR-UWVGGRQHSA-N	241.291	-0.878	50	10	BBGE	
C=C(CN1CCO[C@@H]([C@H]2CCCO2)C1)B(O)O	2021158909	KHEQJDOAYGRYHE-GHMZBOCLSA-N	241.096	-0.566	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H](C2)O3)c(B(O)O)c1	2021433905	CGTBZFNVZTYDFP-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
Cc1ccoc1C(=O)Nc1ncc(B(O)O)cn1	2040763244	NTOAFALCDQKOEX-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnc2cccnn12	2052147907	RXRBCMUAKIGSSC-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
OB(O)c1cncnc1N(CC1CC1)CC1CC1	2052466333	HMNOECXEHDVCTP-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@H]2C3)c1B(O)O	2052555541	DKNDEAPZLZRKIO-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
CCc1ccc(B(O)O)c(C#N)c1[N+](=O)[O-]	2060282957	WXVGQHTUKJOSRC-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=C(NCc1ccon1)c1ccccc1B(O)O	2079010434	ZVKBEQZRMKBGQQ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c(F)c1	2086989889	INFDWTHTNIQHGO-CDDJKKQXSA-N	249.050	-0.066	50	10	BBGE	
CC[C@H](N)CNc1nccc(B(O)O)c1F	2212604126	MOPFNSCPMUIPMC-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
C[C@@H](CCCO)Nc1cc(B(O)O)ccn1	2212611286	YLSLTQPNKZSIGR-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCOC(F)(F)C1	2215775992	JZRUVUOTBDUMOH-SFYZADRCSA-N	249.261	-0.073	50	10	BBGE	
CC1(C)[C@H](O)CCN1CC1(C(=O)NN)CCC1	2216494986	IYXOQBHJDHTDJE-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCN1	2217172859	NENODUWNZMEPJL-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCCN2)c1	2217174919	AMZIKQMJRODKAR-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
OCCC1(CNc2ncccc2B(O)O)CC1	2217179821	OVCDJUNLECXUCH-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
CC[C@H](C[C@@H](C)O)Nc1ncc(B(O)O)cn1	2217181343	OPIRKBCCCMBIFM-VXNVDRBHSA-N	239.084	-0.882	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H](N)C2)cc1B(O)O	2217182986	HZMWDFDVJAKULI-IUCAKERBSA-N	235.096	-0.638	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)ccn1)[C@H](O)CC	2217198989	IYKXLUAIVZAKJG-VHSXEESVSA-N	238.096	-0.277	50	10	BBGE	
C[C@@H]1CNC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217199720	OPNFHAQHBKTHEH-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1COCC[C@@H]1Nc1ncccc1B(O)O	2217205466	ZHLGLDKKNCTRCG-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)N(C)C1CC1	2223633193	TZTGQMHTEQLGSB-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
C=CC[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	2223634850	PNDVDVKXXWFVBN-JTQLQIEISA-N	247.107	-0.051	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2CC=CCC2)[nH]c1	2223635609	ZGEFNNWZFGGHJN-JTQLQIEISA-N	247.107	-0.263	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1Nc1cc(B(O)O)ccn1	2223679742	UCXWZVAUWDQNIY-PSASIEDQSA-N	249.123	-0.453	50	10	BBGE	
CONC(=O)c1scc(C)c1B(O)O	2241480022	HFMRYPKIEQXFMC-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
CCONC(=O)c1ccc(F)c(B(O)O)c1	2243374245	CELAFTOCWZBXAB-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
CCCCN(O)C(=O)c1csnc1B(O)O	2243377596	CQQRYFWKZLOLAP-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2243390828	BVTRSAZLMQNOKJ-FXQIFTODSA-N	227.069	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CCOC2)C1	2243390879	CKWHHNBODBHLGV-SFYZADRCSA-N	225.053	-0.902	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243391296	IXAXFHDBGDKGLT-BGZDPUMWSA-N	226.085	-0.813	50	10	BBGE	
CCC[C@H](COC)NC(=O)[C@H]1C[C@@H]1B(O)O	2243397176	WYFZXCQEDFACIC-VGMNWLOBSA-N	229.085	-0.219	50	10	BBGE	
CN(CC1CC2(CC2)C1)C(=O)C#CB(O)O	2243404858	VRBAEKJOWLDJNA-UHFFFAOYSA-N	221.065	-0.350	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)N(C)C)c1	2243413861	OSSSBQGKVKIGHB-UHFFFAOYSA-N	225.028	-0.484	50	10	BBGE	
CC1(NC(=O)c2cocc2B(O)O)CCC1	2244205560	KUGOCYUPSGUKIK-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@H](C)CCC(=O)NN	2245132520	SOIUXLMGOANBGZ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC(C)N1CC(NC(=O)C2(B(O)O)CCC2)C1	2247732503	GPSMNEROPQGXMG-UHFFFAOYSA-N	240.112	-0.408	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C=C[C@H]1C2	2247732748	IVFUHUBCRVIGIU-CBAPKCEASA-N	233.032	-0.640	50	10	BBGE	
CC(=O)C1CCC(NC(=O)C#CB(O)O)CC1	2247747935	VGZWPGUGFPZHFY-UHFFFAOYSA-N	237.064	-0.734	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C(=O)C1(B(O)O)CCC1	2247755076	GLHVFIRLRXWERU-DTORHVGOSA-N	238.096	-0.702	50	10	BBGE	
NC[C@]1(F)C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247756630	SXFLHZLPQGGJHN-XWEPSHTISA-N	244.075	-0.671	50	10	BBGE	
CN(c1ncccn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787839	VPIWLEYWHLXKOK-OCAPTIKFSA-N	235.052	-0.308	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCCN1	2247790274	GLFHCWWJPKOAQG-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
CC#CC[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247801208	YISDOHSENODNIX-RTBKNWGFSA-N	239.080	-0.870	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)C1CC(B(O)O)C1	2247807447	RDTQOOKAORXDDZ-NWGYLPEXSA-N	243.112	-0.093	50	10	BBGE	
Cc1[nH]nc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1C	2247807617	RHHCHALHGMMNCN-HTQZYQBOSA-N	237.068	-0.494	50	10	BBGE	
C[C@@H]1CC[C@](CO)(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808940	NFLLFDQRRRYNEX-HJGDQZAQSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCC1(F)CCNCC1)[C@H]1C[C@@H]1B(O)O	2247809542	QAEXAZKILDCPLT-YUMQZZPRSA-N	244.075	-0.943	50	10	BBGE	
C[C@H]1CCOC[C@H]1NC(=O)C1CC(B(O)O)C1	2247809587	ZUUIMWCFGHRAHE-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]2OCCC[C@@H]2C1	2247847771	BJFWECLCZUACFT-ZJUUUORDSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)NCc1coc(C2CC2)n1	2247847997	FLZYFELBRSKALM-UHFFFAOYSA-N	234.020	-0.816	50	10	BBGE	
C[C@H](CN(C)C(=O)C#CB(O)O)OC(C)(C)C	2247852314	SCCGHIVVMMGNLM-SECBINFHSA-N	241.096	-0.336	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)CO1	2247857616	WDTOXEIMELNJSH-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)C1(B(O)O)CC1	2247870357	IRKNHNRYJWMOCO-YIZRAAEISA-N	239.080	-0.513	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247872347	QWPVRKOCFJBEPU-GZMMTYOYSA-N	238.096	-0.667	50	10	BBGE	
NCC1(CNC(=O)C2(B(O)O)CCC2)CCC1	2247877207	DETNDOLVGWCQTB-UHFFFAOYSA-N	240.112	-0.371	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2247879035	PIAXUOATZHRFSR-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)sc1C	2247888397	ZBZJHHWIOROCOL-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
CN1CC(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247893490	SUIQMMICSQKLPV-AOOOYVTPSA-N	240.112	-0.693	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2247896639	IJCOMFXKWFJJNS-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
C[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898923	ISIMQQVHJLZRCQ-YWVKMMECSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@]2(CCNC2)C1	2247899698	PLHWWGJRSHEIPK-WCABBAIRSA-N	238.096	-0.939	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@H]1C[C@@H]1B(O)O	2248576958	KMQFKCKBMYXUIW-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CC(C(=O)O)C1	2248590019	YBQKLEYNGWLHEW-UHFFFAOYSA-N	241.052	-0.685	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCOC)C[C@@H](C)O	2250554845	YZLCWDADBHBDQN-ZJUUUORDSA-N	247.339	-0.526	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@@H](C)CN(C)C	2250914507	GPVYKMQCQADIIV-VHSXEESVSA-N	240.112	-0.906	50	10	BBGE	
OB(O)c1cccc(F)c1CO[C@@H]1CCOC1	2251454088	VTAYGRSVKTVWIJ-MRVPVSSYSA-N	240.039	-0.189	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1coc(B(O)O)c1	2255453610	IOMAQLXODJZJDE-OYNCUSHFSA-N	247.059	-0.346	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2255673371	PMUJZAJVFXNWBO-XGEHTFHBSA-N	247.059	-0.560	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)c(C)c1	2255692045	JOCISSCXVRBZDV-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
CC(C)C1(NC(=O)c2cncc(B(O)O)c2)CC1	2255718382	YPRFDWMLGBXYKY-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ncccc1B(O)O	2255721562	BGRHWARLMGDRIN-UHFFFAOYSA-N	246.075	-0.849	50	10	BBGE	
Cc1ccc(NC(=O)c2ccoc2B(O)O)nc1	2255722373	NQCYWZUXXWNUIL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cncc(NC(=O)c2coc(B(O)O)c2)c1	2255733842	RHPBKEZQBZNPEC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)ccc2O)[C@@H]1C	2256013823	IQDNVHZRVPZNED-PHBYFZBNSA-N	249.075	-0.544	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(B(O)O)ccc1O	2256016456	IJNZFTCJTUAOTB-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H]2[C@H]1CO	2298165864	CYIIWQDMZBZYBP-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2COCC[C@H]21	2298225577	IKXOGKLMCPYCSX-WEDXCCLWSA-N	234.064	-0.792	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@]2(O)C[C@@H]2C1	2298256227	MJHYASQBTCFVKD-BTQIBKBOSA-N	239.319	-0.541	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2NCC[C@H]2C1	2298369214	MTCXIMDYIDFDFL-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
CC(C)(C)[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298369861	HWMDVMLBYSWGBT-XLDPMVHQSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2NCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2298371516	NFQQXOOUCLVSLG-WYCDGMCDSA-N	238.096	-0.894	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300193929	ZEUMBTBFHZUJIU-VPOLOUISSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1cocc1B(O)O	2301201009	JJDGJDDQPQMBQT-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
CC(C)=C(CN(C)Cc1nncn1C)B(O)O	2301963425	BCJZQNWQKNNMFA-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)C1(B(O)O)CC1	2304251814	KFZUIXWMXZNRMV-BDAKNGLRSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)CN1	2317307750	DGOBBKBLHJEGGM-GZMMTYOYSA-N	248.091	-0.659	50	10	BBGE	
O=C(CCCl)NC(=O)N[C@H]1CCCNC1=O	50398465	ZHJRXBKVEUIJCB-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H](CN)CCC[C@H]1C	70156478	VSQMKAWIQWJTPK-SCZZXKLOSA-N	242.323	-0.645	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](O)C1	82470430	GRPUHIGHVKRLDF-DTWKUNHWSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)CCS[C@@H](C)C(=O)NN	82472423	LZJCTCZUPMOSMD-YFKPBYRVSA-N	206.267	-0.339	50	10	BBGE	
NNC(=O)c1c(/C=C/C(=O)O)cnn1C1CC1	84824359	ODOMWBVEGHUGMA-DAFODLJHSA-N	236.231	-0.081	50	10	BBGE	
NNC(=O)c1ccoc1CN1C(=O)[C@H]2C[C@H]2C1=O	85417305	KJFLIKRUHGBLQE-KNVOCYPGSA-N	249.226	-0.612	50	10	BBGE	
CC(C)(CN1CC[C@H](CN)C1)C(=O)NN	86597789	WELHKMPJUXUUJE-MRVPVSSYSA-N	214.313	-0.717	50	10	BBGE	
CC(C)(CN1CCCC[C@@H]1CO)C(=O)NN	86597934	YSACRGZCHPSSML-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	157454792	NXIWJDCZRBSBBX-HTQZYQBOSA-N	230.264	-0.262	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CCO)C1	159979500	DDGMDSZJYRHKQF-ZJUUUORDSA-N	229.324	-0.295	50	10	BBGE	
CSCCCCNC(=O)C(=O)NN	164092227	HYUFXBOOZUQLFF-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
C[C@@H]1COc2ccc(B(O)O)cc2OC1	203536043	ZMRLKVUTEBNCQV-SSDOTTSWSA-N	208.022	-0.226	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(N)CC1	211912413	HVFKUAGMKFVKNT-SECBINFHSA-N	214.313	-0.432	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NCc1ccco1	217261607	VLZBVGWXTKDRMC-CLFYSBASSA-N	235.243	-0.115	50	10	BBGE	
C[C@H](N)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228648148	AFINQZMQMVWKJE-RNJXMRFFSA-N	233.337	-0.396	50	10	BBGE	
C[C@H](CN)SS(=O)(=O)[C@H](C)CN	238465630	WLTCGIGDHXDEJY-PHDIDXHHSA-N	212.340	-0.256	50	10	BBGE	
Cc1nc2c(B(O)O)c(O)ccc2s1	238484693	MCOGSWDGKUXZKP-UHFFFAOYSA-N	209.035	-0.010	50	10	BBGE	
Cc1noc(-c2ccc(B(O)O)cc2)n1	238488222	GSCRPMCZCSRIGK-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
CC(C)C=NNC(=O)Cc1nnc(O)nc1O	254749345	PSYCDWZSNLPTHN-UHFFFAOYSA-N	239.235	-0.417	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)c1c[nH]nn1	306499042	HLSNAUNLJQNQQM-INEUFUBQSA-N	216.628	-0.459	50	10	BBGE	
C=CCSCC(=O)NN(C)C(N)=O	308275709	VMCVVAIFSUNCCV-UHFFFAOYSA-N	203.267	-0.053	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)CC(=O)O	379600164	KRYRVNZAVCSWFS-UHFFFAOYSA-N	202.210	-0.345	50	10	BBGE	
CC(C)C[C@@H]1NC(=O)C[N+](C)(C)[B-]1(O)O	380031549	QLUFKCFBNOAXPT-QMMMGPOBSA-N	216.090	-0.930	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCC[C@](O)(C(N)=O)C1	380618324	ZXQJRSSRJTUCHJ-OIBJUYFYSA-N	248.710	-0.300	50	10	BBGE	
CCc1cc(B(O)O)cc([C@@H]2CCCNC2)n1	382637580	HPJYAGJDAKTWJT-SECBINFHSA-N	234.108	-0.209	50	10	BBGE	
COCCCOCc1nc(C(=O)NN)co1	386979458	MXEJBGAGTRNJSZ-UHFFFAOYSA-N	229.236	-0.169	50	10	BBGE	
CC(=O)NC1CN([C@H](C(=O)NN)C(C)(C)C)C1	388179341	MHPNIMWINFMVMS-SECBINFHSA-N	242.323	-0.789	50	10	BBGE	
CC(=O)Cc1cc([N+](=O)[O-])ccc1B(O)O	396054879	JMYMKXIKRQIJBP-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
O=C(CCCl)NC[C@H]1CNC(=O)C1	398350679	SEPPKZDOFSRUBX-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
CSCC(=O)Nc1cc(B(O)O)ccc1C	405003314	PAEGBXSBPWCYBY-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
CNC(=O)Nc1cccc(B(O)O)c1F	575598912	FCTZXAKATOKLSV-UHFFFAOYSA-N	211.989	-0.743	50	10	BBGE	
Cn1nccc1CNCc1ccc(B(O)O)cc1	585017770	KTMQBEXRBIADLY-UHFFFAOYSA-N	245.091	-0.610	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC[C@@H]1COCCO1	690735783	FFVZXYPWBHMMCI-SFYZADRCSA-N	237.683	-0.228	50	10	BBGE	
C[S@](=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703436392	PGJWXEVGOCHUKB-AKRFPOAQSA-N	231.273	-0.719	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	706020555	ZFDWIXLQJMQZHI-UHFFFAOYSA-N	238.203	-0.163	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCC[C@H]1O	708050411	HPPPLMSPBWIGOD-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
N#Cc1ncn(Cc2cc(C(=O)NN)cs2)n1	711227598	CYEHBCINQKYJOE-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
O=C1CN(C23CCN(CC2)C3)CC(=O)O1	715751239	HJCGOLZHSWWKMY-UHFFFAOYSA-N	210.233	-0.780	50	10	BBGE	
C[C@@H](CN1CC[C@H]2CC[C@@H](O)[C@H]1C2)C(=O)NN	721718330	QWTVVDLTXFDJKR-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)Cc1cccc(B(O)O)c1	724135158	ACOXPROCKPUMSL-CHWSQXEVSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2OCC[C@H]2C1	724821632	IKZXGFOYIYPYBU-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](O)C(=O)NNc1nc(-c2cccnc2)no1	786934231	HHBNDKWFXRIRBS-LURJTMIESA-N	249.230	-0.045	50	10	BBGE	
CN1CCCC[C@@H]1CCC(=O)NNC(=O)CO	807199257	WFIVJGQNVLPQEA-SECBINFHSA-N	243.307	-0.609	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1ccnn1C	853384892	XMORCLQUPJMYAM-UHFFFAOYSA-N	247.262	-0.297	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CCCN(C)C1=O	900386539	ZUUURUYDSYIXJF-ZETCQYMHSA-N	242.279	-0.795	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CC(c2ccccn2)=NO1	905067336	HEADCZSMXNYJNB-JTQLQIEISA-N	248.242	-0.258	50	10	BBGE	
CCOCC(=O)NNC(=O)NCC1CSC1	923818689	GIMRQORCAIXNKH-UHFFFAOYSA-N	247.320	-0.284	50	10	BBGE	
N[C@@H]1CON(CCCBr)C1=O	958715733	PARXHWIGJRHGKE-RXMQYKEDSA-N	223.070	-0.128	50	10	BBGE	
CN(CCF)Cc1c(F)cccc1B(O)O	1232760092	CHDMCOWJFBGHPV-UHFFFAOYSA-N	229.035	-0.093	50	10	BBGE	
C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(N)=O	1296263860	FFBCDIWHXWSTBU-MEVQIBDESA-N	247.258	-0.683	50	10	BBGE	
N#C/C(=C\c1cc2n(n1)CCC2)S(N)(=O)=O	1327065646	IKNBTCDDFVTMTH-WEVVVXLNSA-N	238.272	-0.018	50	10	BBGE	
COCC#CC(=O)NNc1nnc(C)n1C	1329160916	HYZFRTISIBSLNX-UHFFFAOYSA-N	223.236	-0.784	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NNC(=O)N(C)C	1464545282	SCPXEKQJVAHSHX-UHFFFAOYSA-N	243.263	-0.202	50	10	BBGE	
N#Cc1cccc(NNC(=O)[C@H]2CC(=O)N2)c1	1557418785	VDRGJPGHQLWSOA-SECBINFHSA-N	230.227	-0.110	50	10	BBGE	
CCN(CCO)NC(=O)CCc1cc(C)[nH]n1	1570726928	DFPWIGUMOQNLII-UHFFFAOYSA-N	240.307	-0.004	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)[C@H](C)CO)c1O	1640026759	ZXHKKLNSZDGKER-RXMQYKEDSA-N	228.252	-0.619	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H](CN(CCCl)C2)[C@H]1O	1882456590	RSIKMTTUSSSWHV-XSPKLOCKSA-N	205.685	-0.101	50	10	BBGE	
C#C[C@@H](CCl)NCCN(C)S(C)(=O)=O	1884823934	USQJCCBEEZDXLT-QMMMGPOBSA-N	238.740	-0.292	50	10	BBGE	
COC(=O)[C@@H](CBr)N[S@](C)=O	1892153244	XSJORSPQARWHLV-IBDLBZOISA-N	244.110	-0.194	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)C=CC(=O)Cl	1893416337	BNTUKRVZMAZPJW-ZCFIWIBFSA-N	220.656	-0.914	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@H]2CCCO[C@@H]12	1895439810	MXJFTRFDXAYQOT-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CCOC[C@@H](C)OCc1nc(B(O)O)cs1	1902652243	FRXDJLIPJXTQOK-SSDOTTSWSA-N	245.109	-0.236	50	10	BBGE	
CC(C)(N)CNc1cc(B(O)O)c(F)cn1	1903009916	JIKFHVIIPHOHQR-UHFFFAOYSA-N	227.048	-0.950	50	10	BBGE	
OB(O)c1cc(NC2[C@H]3CC[C@H]23)ncc1F	1903011144	XLNBWWJIJVSWEV-WDSKDSINSA-N	222.028	-0.279	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@@H](O)[C@@H]1CF	1905071919	QXQICAUNJSMEAD-XAMCCFCMSA-N	222.647	-0.507	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H](F)C1	1905096352	PSHQZSCBUXWHRP-OCAPTIKFSA-N	225.028	-0.724	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1CO	1911479677	WMWKJWFDAPFASI-ZDCRXTMVSA-N	243.351	-0.049	50	10	BBGE	
N#CC[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1915018532	NZQXNXSOHASUMS-VIFPVBQESA-N	222.292	-0.008	50	10	BBGE	
ClC[C@@H]1COC[C@@H]1NCCn1cnnn1	1928739476	WLPUKNUVYRNFBK-SFYZADRCSA-N	231.687	-0.484	50	10	BBGE	
O=C(O)c1cscc1C(=O)NNCCO	1929838955	WBYKAWCJIRHBTL-UHFFFAOYSA-N	230.245	-0.327	50	10	BBGE	
NNC(=O)C1(CN2CCSCC2=O)CC1	1931266927	MCDKFFPAYVUYKN-UHFFFAOYSA-N	229.305	-0.668	50	10	BBGE	
CO[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936093563	FRKTVKSPUFJXSI-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	1936095524	XXCFIKBOIYIMOS-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC(C)(C)CO	1938123340	YUGOHZJAEBSHMT-DTWKUNHWSA-N	229.324	-0.437	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1938376835	VVLLXUIVMJHDSH-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940097784	ZNYXCPMORTYNHC-XSPKLOCKSA-N	223.276	-0.519	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@@H]1C[C@@H]1C(=O)NN	1941086486	IVUYSLGMZIXKCE-IUCAKERBSA-N	242.323	-0.978	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCC[C@H]1O	1941772912	PJRDPBOQTAPGTH-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1944711631	CNUHAHMKVKAFII-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CCN1C(=O)CN(CC2(C(=O)NN)CC2)C1=O	1945892682	NPAAJFWFGLGFJO-UHFFFAOYSA-N	240.263	-0.959	50	10	BBGE	
C[C@H](Cl)CC(=O)N=c1nnn(C)[nH]1	1954240198	STZWZDCQYMOTFU-BYPYZUCNSA-N	203.633	-0.412	50	10	BBGE	
CC1(C)CN(C(=O)NN)CCS1(=O)=O	1956772910	UZBGTDCAIPHUPF-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@](=O)C[C@H]1C	1961553941	QWDPERMNIGTFGX-PISXGGPESA-N	233.337	-0.792	50	10	BBGE	
C[C@H](CN1CCO[C@@H](CF)C1)C(=O)NN	1961592901	QIWXDZPEPSQCJU-SFYZADRCSA-N	219.260	-0.717	50	10	BBGE	
CON(c1ccc(B(O)O)cn1)C(C)C	1961689708	CDJSQPFJYNOIID-UHFFFAOYSA-N	210.042	-0.462	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)C1COC1	1961717873	HNNFKJITXHRWPT-UHFFFAOYSA-N	228.082	-0.952	50	10	BBGE	
O=C(Cn1cnnn1)N1CC(F)(CCl)C1	1961762368	KBVIXTUGVBZBRW-UHFFFAOYSA-N	233.634	-0.538	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)C[C@H](C)Cl	1962393744	QWUHCHSIZYKBNN-IONNQARKSA-N	239.699	-0.510	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCN(C)[C@H]2C1	1976008310	ZYYKOOKFORLFDO-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
CCc1nc(CNC(=O)C(=O)NN)c(C)o1	1976818257	TVGVFRQLKLHEGG-UHFFFAOYSA-N	226.236	-0.848	50	10	BBGE	
Cc1cnccc1CN(C)C(=O)C(=O)NN	1979545431	KRBFMCJERWMTPX-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2ccc(C)n2)n1	1981455292	YMUZPZLOEWMGEN-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@H]32)c(F)c1	1981472848	UHMAOUSXGPWAJN-HZGVNTEJSA-N	222.028	-0.501	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1C	1982498652	UPVLKBKHOFYVGW-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	1990326248	YIZCYBVESMQPOU-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CO[C@H]2CNC[C@H]12	1991452325	UALWVATWAQYXPK-MBXMOIHESA-N	244.722	-0.036	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@](C)(CO)CC1(C)C	1992771834	WKWBPQXGOCVHMV-KCJUWKMLSA-N	229.324	-0.152	50	10	BBGE	
CCCN(O)C(=O)c1ccccc1B(O)O	1992836228	KSIHOVZCNFLAMB-UHFFFAOYSA-N	223.037	-0.392	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]2[C@H]2C[C@H]32)CC1	1997189206	SVNSUJMKKKPZFN-JBDRJPRFSA-N	235.287	-0.377	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1[C@H]2CC[C@H]21	1997529271	KUFVCHJXYXUOHN-MBTKJCJQSA-N	232.048	-0.644	50	10	BBGE	
NNC(=O)c1cc(CN2CCO[C@H]3C[C@@H]32)on1	2004486559	MPNQGECGIXUFRH-IUCAKERBSA-N	238.247	-0.749	50	10	BBGE	
C[C@H]1CCOCCN1c1ccc(B(O)O)cn1	2004918381	KZCUZEKYFATJLR-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)c1ccncc1B(O)O	2004935002	KEYPNPUEMPPSHG-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)C1COC1	2007617078	ZGISLKUTHCRIEP-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
CC[C@](C)(CN(C)CC(=O)NNC(C)=O)OC	2019177056	MXPBJWRGQQXBKD-LLVKDONJSA-N	245.323	-0.099	50	10	BBGE	
CC(=O)NNC(=O)CN(CC1CC1)C1COC1	2019180115	YYEXVYCSSJDNDQ-UHFFFAOYSA-N	241.291	-0.736	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)c1ccc(C)nc1	2019984636	LSLDPSTWGMLSKB-JTQLQIEISA-N	238.291	-0.169	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@]12CCCOC2	2021122809	PHYSZEFVFDGCJA-MWLCHTKSSA-N	239.080	-0.513	50	10	BBGE	
NNC(=O)c1occc1CN1[C@H]2COC[C@H]1C2	2021412017	GLWFZFMNROKHPS-RKDXNWHRSA-N	237.259	-0.144	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@]2(CO)C1	2021654898	LMYCPHNRHOXPFL-ZYHUDNBSSA-N	241.335	-0.149	50	10	BBGE	
CCC[C@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	2022545483	YRGIFAFONGECRU-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
CN(C)[C@]1(C)CCN(c2ccncc2B(O)O)C1	2052466954	LNVBXEIEXGJJCO-GFCCVEGCSA-N	249.123	-0.708	50	10	BBGE	
C[C@@H]1CN(C)CCCN1c1ncccc1B(O)O	2052490576	DIGUIGGEAARPPW-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCCC23CC3)n1	2052621458	HQSBZCVSZJQCRS-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
C[C@H]1C[C@H]1CCN(C)CCOCC(=O)NN	2211602262	QKBSVZMLFCDXLH-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
N#Cc1cnn(CC2(C(=O)NN)CCC2)c1	2212250889	XKZVXEUISXVKEU-UHFFFAOYSA-N	219.248	-0.085	50	10	BBGE	
CN1CC[C@@H](OCC2(C(=O)NN)CCC2)C1	2212261676	JWVJOFUJLNRDET-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)C(C)(C)N	2212603643	HZPWIYMGYGYYQY-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H]1[C@@H]2CO	2215772922	QYSFJYWAYSROGK-LXUNUROVSA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC23CCC3)nc1	2217173754	UJXXVRPEUULOMD-SECBINFHSA-N	233.080	-0.099	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1Nc1ncccc1B(O)O	2217174251	XYIKNBQWWDYHIM-KHQFGBGNSA-N	236.080	-0.261	50	10	BBGE	
CNCCC[C@H](C)Nc1cc(B(O)O)ccn1	2217204165	GFURETKNAQHJRA-VIFPVBQESA-N	237.112	-0.439	50	10	BBGE	
CCCCc1nccn1-c1ncncc1B(O)O	2221815290	FDGZRGMDNGDXAD-UHFFFAOYSA-N	246.079	-0.315	50	10	BBGE	
OB(O)c1ccnc(N[C@]2(C3CC3)CCOC2)c1	2223637702	RQNXTUPZVNTLHG-GFCCVEGCSA-N	248.091	-0.258	50	10	BBGE	
CCc1ncncc1Nc1ncccc1B(O)O	2223646285	IWUIXAQJZBUVBX-UHFFFAOYSA-N	244.063	-0.143	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CC3(CC3)CN2)nc1	2223649940	GGCHPZCSQRHCNN-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncccn1	2223652317	ICUXNHOZDMZKGJ-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
CCO[C@@H]1C=CCN(c2ccc(B(O)O)cn2)C1	2223653463	RSGGVYYLGDOHJB-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCC23CNC3)c1	2223671166	ILCPUTCDOULSMT-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
CO[C@@H](CCl)CNCCn1cnnn1	2242452303	YJCJKTYSPXYBRF-ZETCQYMHSA-N	219.676	-0.484	50	10	BBGE	
CC1(CNC(=O)c2cscc2B(O)O)CC1	2243346547	AGCUJMYKDJTYGG-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CNc1ccc(NC(=O)C#CB(O)O)cc1	2243349293	JEEWFCSBKLJQIJ-UHFFFAOYSA-N	218.021	-0.318	50	10	BBGE	
CC[C@@H](CNC(=O)C#CB(O)O)C(C)(F)F	2243356128	BOCKHMWWLZSCPZ-ZETCQYMHSA-N	233.023	-0.201	50	10	BBGE	
O=C(N[C@@]12COC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2243381337	FIEMRYXLIDKUQS-ODXREFDESA-N	225.053	-0.856	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@H](CO)C1	2243391429	KMRLIODYFFQGNC-CIUDSAMLSA-N	227.069	-0.920	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2243399876	RVFJLWRSHCOTGL-NXEZZACHSA-N	223.081	-0.248	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccoc1B(O)O	2243400384	ABVMNFFDDPOBNL-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CC1(C)C[C@H]1CCCNC(=O)C#CB(O)O	2243401671	VLJXVOVGKPFZAH-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccoc1B(O)O	2243406980	IZSIGMMUJQSKRY-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C=CCONC(=O)c1scc(C)c1B(O)O	2243414720	HCMLKRHSSNZTGT-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
CC(C)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243426640	JJXLKBKMQTUIOC-XVMARJQXSA-N	229.041	-0.925	50	10	BBGE	
CC#CC(=O)Nc1cc(B(O)O)ccc1C	2243684978	KTCBYPVKFVOJSA-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC12CCC2	2244547524	BOMUBNZUCOVZSJ-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1ccc(B(O)O)o1	2247739801	BNVZFPSOWWTQLD-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
CC(C)(CF)CNC(=O)c1ccc(B(O)O)o1	2247740309	IQFJFYNPYFPWIB-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1occc1B(O)O	2247745650	MNZGGUFFXNZJFA-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C[C@H](O)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2247750261	GUDGDSXJXFAGFG-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2247784817	BBNPSLAKVLGILO-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
CC(C)[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2247786421	AMOWHTPGEYFOQF-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1[C@H]2CC[C@H]1CNC2	2247787450	PHNMRNSQBIUVBV-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
CO[C@H]1CC(=O)N(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792074	QQTCDMPRANKCLO-RNJXMRFFSA-N	241.052	-0.987	50	10	BBGE	
CN1CC2(CCN2C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247799181	AIDKYQHFFSQPDH-KYZUINATSA-N	238.096	-0.844	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)C(=O)[C@H]1C[C@@H]1B(O)O	2247806648	ODTVOSWIXWROGM-FTYOSLGDSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247809639	QJGXRJIIWUYDSM-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CCC[C@](O)(CNC(=O)C#CB(O)O)C1	2247851843	KYEHATQSPWHMHS-GXSJLCMTSA-N	239.080	-0.941	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)c(OC)c1	2247853077	GBJSUVSVYJRWQH-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247854519	DOTPXTUSNBTDNR-KYZUINATSA-N	243.112	-0.141	50	10	BBGE	
C=C(C)CCNC(=O)c1ccc(B(O)O)cn1	2247866252	JBUBIGDZSCLRBU-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1csc(B(O)O)c1	2247867300	CIVHWCHDLSNPRW-VIFPVBQESA-N	249.100	-0.334	50	10	BBGE	
NC1CCC(CNC(=O)C2(B(O)O)CC2)CC1	2247872144	NNXYOXIGBONOPH-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
CC[C@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247877615	CFBGQQTWRBTQDR-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CN(C)CCC(C)(C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247887641	QHFQKYJCLGUXRL-BDAKNGLRSA-N	242.128	-0.304	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247899140	KSTBEKYGHUHFLS-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)CC(=O)O	2248574397	QWVYHMIEXORXOM-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1cc(B(O)O)co1	2249417490	GYSDTZZXSMJCAK-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
O=C(NN1CCCCC1)c1cc(B(O)O)co1	2249427355	DWMLIIXNNNNAPM-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC12CCC2	2255452132	DNPMCVBRYBJHGA-VIFPVBQESA-N	249.075	-0.060	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1c(F)cccc1B(O)O	2255513832	YTJRUQHJSQWOLR-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
Cc1ccnc(C(=O)Nc2cn[nH]c2)c1B(O)O	2255580846	IPADUGQOJZQECJ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1C[C@H]2C[C@@H]2C1	2255668882	GFHUHRUXFVDDCQ-HTQZYQBOSA-N	248.091	-0.435	50	10	BBGE	
CC1CC(C)(NC(=O)c2ccncc2B(O)O)C1	2255725233	VVOSJWQCOJOPTO-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2298376658	HMHHUDAIFNJZDR-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376789	OMNVAPWIMPVVBR-SGIHWFKDSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2[C@H](C1=O)C2(F)F	2298376802	PEEDJWNELPTAEQ-UNTFVMJOSA-N	244.990	-0.901	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]2CC[C@H]1O2	2298633738	FGCPYAXASLHHAA-LPEHRKFASA-N	237.064	-0.924	50	10	BBGE	
CC[C@H](O)CNc1ccc(C=O)c(B(O)O)c1	2301422349	GQEKAMONEVZLKA-JTQLQIEISA-N	237.064	-0.638	50	10	BBGE	
C[C@H]1CC[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303837002	UNXJQJBEJUPZLH-JGVFFNPUSA-N	238.071	-0.220	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303848971	FSHVZRMUMDUABY-HZGVNTEJSA-N	242.059	-0.595	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1CC1(C(=O)NN)CC1	2304308995	GFSVKTSVEURATO-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](O)CN(C)Cc1csc(C(=O)NN)n1	82468174	ZCXOYSHSAYFWRB-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cc([N+](=O)[O-])cn1	82468316	BCVXCBDUEONDFL-SSDOTTSWSA-N	227.224	-0.022	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1CO	82470212	VUJHQJWVZGHWRM-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)n1ccc([N+](=O)[O-])n1	82471655	QEOKFQOINIUWSI-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
CC[C@H](Sc1nnnn1C1CC1)C(=O)NN	82471955	GXENHPKLCOTKIL-LURJTMIESA-N	242.308	-0.131	50	10	BBGE	
CC(C)(CN1C(=O)CC(C)(C)C1=O)C(=O)NN	93728326	XCYWTMJBACTTRF-UHFFFAOYSA-N	241.291	-0.212	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C(=O)NN)CCO1	162703992	JCQOXRLXLOMJAY-LURJTMIESA-N	215.253	-0.950	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H](F)CN1)c1ccc[nH]1	188840803	CVRBALWAGWGXHM-POYBYMJQSA-N	240.238	-0.524	50	10	BBGE	
COC[C@@H](CBr)NS(C)(=O)=O	229016087	UNPKLFRHUSDZDZ-RXMQYKEDSA-N	246.126	-0.055	50	10	BBGE	
CN(C)S(=O)(=O)CCNC(=O)CCl	230991490	NDCXSMWCJYVVEM-UHFFFAOYSA-N	228.701	-0.767	50	10	BBGE	
CN1CC[C@H](NS(=O)(=O)CCCl)C1	232299059	FCEVTEIRGVPDSW-ZETCQYMHSA-N	226.729	-0.151	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCCN(C)C	234556283	XAEPQNQQTYMFLM-ZETCQYMHSA-N	208.689	-0.082	50	10	BBGE	
Cn1[nH]c(=O)c(=O)nc1SC[C@@H](Cl)C#N	236091989	OAFLXSSGCXMELJ-BYPYZUCNSA-N	246.679	-0.308	50	10	BBGE	
OB(O)c1cncc(OC(F)(F)F)n1	238636990	DMLPNTSGJHGZFR-UHFFFAOYSA-N	207.904	-0.945	50	10	BBGE	
OB(O)c1ccc(-c2ccccc2)nn1	238645803	HVYLEHJRKNOMCN-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@@]1(O)CC[C@H](O)CC1=NNC(N)=O	308364114	FWJCJMHZRVAVKZ-YLWLKBPMSA-N	201.226	-0.694	50	10	BBGE	
O=C(NNc1ncccn1)[C@@H]1CCNC1	309619685	GOULFYZSFNPTMB-SSDOTTSWSA-N	207.237	-0.471	50	10	BBGE	
CN1CC[C@H](N(C)Cc2ccc(B(O)O)cc2)C1	310982938	JYYXTIATANNAMY-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
CN=c1nc(CC(C)=NNC(=O)CO)[nH]s1	381435878	CQKGBWXNFFGOEJ-UHFFFAOYSA-N	243.292	-0.971	50	10	BBGE	
C[C@@H](CN(C)[C@@H](C)C(C)(C)O)C(=O)NN	382942060	JICMCHRQZUFJST-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
Cn1cc(C(=O)N[C@]2(CCl)CCOC2)nn1	393972478	RWCSOKHIAZVILA-VIFPVBQESA-N	244.682	-0.057	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(B(O)O)ccc1CO	396064600	YRMYKBOTHZAMQK-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
C[C@@H](CNC(=O)CCl)S(N)(=O)=O	398242856	PYHVTIRRRJGECW-BYPYZUCNSA-N	214.674	-0.982	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@H](C)CCC(=O)NN)C1	398499699	XELBOHRZKXEVST-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnns1	400026336	ONRNNMQBVMWBKF-YFKPBYRVSA-N	215.282	-0.652	50	10	BBGE	
C[C@H]1COC[C@H](C)N1Cc1cccc(B(O)O)c1	688911994	LQSBRGUUYXFMLQ-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CN(C)C)C1	689157041	BNUZIQVOQSVHQM-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H](C)O1	689162420	XKCHHAUUDYCTCG-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
Cc1cccc(Cn2cc(B(O)O)cn2)n1	694513612	GSHNPEJTSPYQBT-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C(F)(F)F)C1	698951279	VQJZSCRXJBRUJJ-YFKPBYRVSA-N	227.186	-0.761	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(N2CCCC2)C1	700521693	AOXDLGYXXCOMOK-NSHDSACASA-N	240.351	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CCN(C)C)C1	701446646	NDHYFIZCUHVCRA-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CN(N)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	704676739	UIGYZHVTHVCLCO-IMTBSYHQSA-N	229.305	-0.228	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCCN(C)C1)C(=O)NN	705223128	NXOYYXHDGLGKIF-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@H]1COC[C@@H]1O	708189065	JRAQHBUWFHKABA-CSMHCCOUSA-N	204.657	-0.191	50	10	BBGE	
CC[C@]1(O)CCCN(CC(=O)NN)C1	710207622	ATJQCLGHOFUFFR-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCC(C)(C)C(=O)NN	711160609	HZXUVUVVCWQEOU-ZETCQYMHSA-N	230.312	-0.802	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)C(C)(C)CC1	712654871	ATBRCUUHXNLEEB-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1ccncc1OC[C@@H]1CCOC1	714034099	URCLCDVTKRKWJW-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
C=C(C#N)[C@](O)(C(=O)OCC)c1ncnn1C	725374927	VOZFZZRGGSQAET-SNVBAGLBSA-N	236.231	-0.354	50	10	BBGE	
COC[C@H](C)C=NNC(=O)C(=O)N1CCCC1	755890214	QVDZDANVJROJNP-SECBINFHSA-N	241.291	-0.007	50	10	BBGE	
COc1nnc(NC(=O)NNC(C)=O)s1	801747667	UQIIEDUEAWINKM-UHFFFAOYSA-N	231.237	-0.281	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@@H]1C1CCCC1	846636186	DCWLKAVQMMOAPQ-RKDXNWHRSA-N	226.276	-0.048	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@@H](C)CO1	900386231	NQLSJJBLXAQBPH-RNFRBKRXSA-N	215.253	-0.238	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H]1OCCO[C@@H]1C	930791046	HQSWBQVHRSKLQX-HTQZYQBOSA-N	245.279	-0.469	50	10	BBGE	
CC[C@H]1C[C@H](C=NNC(=O)C(N)=O)CCO1	1323581632	BTIMXLGXOZTJIF-SFYZADRCSA-N	227.264	-0.221	50	10	BBGE	
Cc1nocc1C=NNC(=O)C(=O)NC(C)C	1326234540	NPFCMVVRZQBISG-UHFFFAOYSA-N	238.247	-0.042	50	10	BBGE	
O=C(Cc1ccoc1)NNC(=O)c1ncon1	1536937732	NHTLYWYVRHKAFE-UHFFFAOYSA-N	236.187	-0.334	50	10	BBGE	
O=C(CCc1cn[nH]c1)NNC(=O)c1cc[nH]n1	1584322192	LKYMHBXMSXSGFP-UHFFFAOYSA-N	248.246	-0.473	50	10	BBGE	
O=C(CC1COC1)NNC(=O)c1ccnnc1	1626756717	YXDFVXRZWPQKQI-UHFFFAOYSA-N	236.231	-0.726	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C[C@H](C)C#N	1652413783	CCBFTBHHLJIXCW-SECBINFHSA-N	240.307	-0.119	50	10	BBGE	
O=C1[C@H](Br)CCN1OCCO	1880350132	JKPZSADQLVMIJP-RXMQYKEDSA-N	224.054	-0.094	50	10	BBGE	
CNS(=O)(=O)[C@H]1CCN(C(=O)F)C1	1882787037	HINYHRYUSVVINJ-YFKPBYRVSA-N	210.230	-0.301	50	10	BBGE	
CON(C(=O)[C@@H]1C[C@H]1Cl)C1CNC1	1883645146	MCFUDECQLSYWHU-RNFRBKRXSA-N	204.657	-0.025	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)NC[C@@H]1C[C@@H]1Cl	1893108300	RMORWIQBMCQGQK-ZLUOBGJFSA-N	221.640	-0.171	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC2(COC(=O)N2)C1	1893451355	MBEPGMIQBWXSEI-YFKPBYRVSA-N	218.640	-0.066	50	10	BBGE	
CC(F)(F)CC(=O)NCC#CB(O)O	1895239579	OSOBJDNZXIZZAK-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cscc1B(O)O	1904905962	AZDQDBDJYJIFFV-IZLXSQMJSA-N	243.068	-0.342	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](CO)[C@@H]3C2)CC1	1911277587	WXOKFVXBQDSIRT-IVZWLZJFSA-N	239.319	-0.683	50	10	BBGE	
Cc1cc(C)n(C[C@@H](C)C(=O)NN)c(=O)n1	1912220950	JZJYWKAZUSQMGF-ZCFIWIBFSA-N	224.264	-0.514	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H]2CC1=O)C(=O)NN	1912338516	DAIZDDTVBDVWEH-PRJMDXOYSA-N	211.265	-0.519	50	10	BBGE	
C[C@]1(C(=O)N2CCC(O)(C#N)CC2)CCN1	1912873758	MFNLETVSXXWMQQ-SNVBAGLBSA-N	223.276	-0.385	50	10	BBGE	
O=C([C@@H]1COCCO1)N(CCCl)C1COC1	1915652591	XSJIWNXDHLRSLN-VIFPVBQESA-N	249.694	-0.132	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H]2C1=O	1927814454	ZBQQHZPXJREWDG-CRCLSJGQSA-N	219.191	-0.910	50	10	BBGE	
CCN(C[C@H](C)O)C[C@@H]1C[C@@H]1C(=O)NN	1927914236	SACQTIVNSGWZNI-CIUDSAMLSA-N	215.297	-0.685	50	10	BBGE	
Cn1cnc(C[C@H](Br)C(N)=O)n1	1929101481	GKDRYDFUAQKHOK-BYPYZUCNSA-N	233.069	-0.394	50	10	BBGE	
O=C(NNCCO)c1cnc(Cl)nc1	1929835291	QGEOEQPPIPNHSY-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
Cc1ccc(C(=O)NNCCO)cc1O	1929837311	YHTOVMOAKRNHGE-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929913754	WGOOALJAYCQERR-XLPZGREQSA-N	219.260	-0.840	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](C(F)F)C1	1930266145	FJKFJDXFZXKHJC-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2[C@@H](C1)C2(F)F	1931858295	POJHTDGQENYHNU-RFZPGFLSSA-N	219.191	-0.910	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1CCCOC1	1932290006	JIOIGOWHCRTTIU-ZCFIWIBFSA-N	224.207	-0.193	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1CC[C@@H]2O)C(=O)NN	1936237112	MTNKXBMHJFZUHJ-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@@]1(F)C2	1937430300	URTBOWVHRUUIHU-WPRPVWTQSA-N	231.271	-0.226	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@H](CO)[C@H]2C1	1944547905	LXMXWHPXANQDOQ-FXQIFTODSA-N	249.261	-0.828	50	10	BBGE	
CC[C@H]1CCCN(CCOCC(=O)NN)C1=O	1945615955	LDWYQYQZWFYTIV-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
CS(=O)(=O)CC[C@H](O)[C@@H](O)CCl	1951634329	DLOALPZSEVJCSX-WDSKDSINSA-N	216.686	-0.618	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@H](O)CCl	1954823028	YWMCDVRSOBSPNR-NKWVEPMBSA-N	208.689	-0.348	50	10	BBGE	
CN(C)NC(=O)C[C@@]1(O)CCCNC1	1955555880	GVLUXWDOPJDTRF-VIFPVBQESA-N	201.270	-0.916	50	10	BBGE	
CCS(=O)(=O)N1C[C@@H](C)OC[C@@H]1N=C=O	1960421142	QBYXWWLSLPRODY-HTQZYQBOSA-N	234.277	-0.281	50	10	BBGE	
NNC(=O)N1CC[C@H](N2CCOC2=O)C1	1961483912	YYFRTCIZJGDDEM-LURJTMIESA-N	214.225	-0.904	50	10	BBGE	
CC[C@H](C)N(C)c1ccncc1B(O)O	1961695339	BXENDTPVADWYQD-QMMMGPOBSA-N	208.070	-0.004	50	10	BBGE	
Cn1cnc(NC(=O)c2ccc(B(O)O)cc2)c1	1971568208	RXPVVDUUSDFSTO-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1cc(B(O)O)cnc1S[C@H]1CCOC1	1981450270	GELAHRYILFQIFE-VIFPVBQESA-N	239.105	-0.049	50	10	BBGE	
OB(O)c1cnc(S[C@H]2CCOC2)c(F)c1	1981451350	VJPOOFXYTNKUNL-ZETCQYMHSA-N	243.068	-0.219	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982259881	DYVXBQJDIJXCQI-AATLWQCWSA-N	227.308	-0.563	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529510	AOEVFAXPNBEXCT-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CC1(C(=O)NN)CC1	1987562260	JTFLSWZQEQURNP-DTORHVGOSA-N	224.308	-0.855	50	10	BBGE	
COC1CC(N(C)CC(=O)NNC(C)=O)C1	1990774921	PCIMYNHKAMAHET-UHFFFAOYSA-N	229.280	-0.737	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC2(COC2)C1	1991325822	AAUVDBZWBDTJAP-UHFFFAOYSA-N	225.053	-0.903	50	10	BBGE	
NCC(=O)NCc1cn(C[C@H]2C[C@@H]2Cl)nn1	1991432117	ITJHWGJMBQOPIP-SVRRBLITSA-N	243.698	-0.520	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1991679973	NBMVAVCMPXFYJB-SRQIZXRXSA-N	249.650	-0.254	50	10	BBGE	
C[C@]1(CO)CNCCN1C(=O)/C=C/C(=O)Cl	1991702917	AFKSYHHRROFFDG-VMZHVLLKSA-N	246.694	-0.509	50	10	BBGE	
C=C(CN(CCOC)[C@H](C)COC)B(O)O	1992159123	GILHGZCUFDLENZ-SNVBAGLBSA-N	231.101	-0.462	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)Cc1ncon1	1997753758	CPTOXHDGEBWYSN-UHFFFAOYSA-N	241.295	-0.092	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2004911508	HYWIBMREVREELK-VEVYYDQMSA-N	231.064	-0.999	50	10	BBGE	
OB(O)c1cncnc1N1CCCC(F)(F)C1	2004918314	KCSWNPOXIPYEMM-UHFFFAOYSA-N	243.022	-0.608	50	10	BBGE	
Cc1nc(N2CCC(F)CC2)ncc1B(O)O	2004972007	ZEYNFLKBZQZPLN-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2CCO[C@H]2C1	2008869598	CTQQLIKAMPJVGZ-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cncnc1C	2009048723	CSVNQIXHTQSUCV-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CO[C@@H](C(C)(C)C)C1	2013195750	JHIZVVJLNDVQSJ-HTQZYQBOSA-N	243.307	-0.362	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)on1	2020055552	BWAZXWZBXHQSAB-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
C#CCN1CCC(N2CC(=O)OC(=O)C2)CC1	2024555108	UXUFANQBOCQTNY-UHFFFAOYSA-N	236.271	-0.531	50	10	BBGE	
COc1nc(OC2(C)CCC2)ncc1B(O)O	2026811080	LSNKPNMWURBBNP-UHFFFAOYSA-N	238.052	-0.514	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COn1nnc2ccccc21	2028044375	ODPBNCWHKBEOFP-JGVFFNPUSA-N	247.258	-0.514	50	10	BBGE	
Cc1nc(C(=O)Nc2cccc(B(O)O)n2)co1	2031815029	MUFSGMJCWDJZJP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1[C@H]2CCC[C@H]21	2048412012	MTYCMHHTJKNVLE-DOFRTFSJSA-N	246.075	-0.254	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	2052469606	SRINIVROWPOTPP-ATZCPNFKSA-N	247.107	-0.219	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCOC3(CC3)C2)n1	2052552393	RWIJRNQYMXPOKX-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC[C@@H]3C[C@H]23)n1	2071009969	IHROKLZUUVRJQV-UTLUCORTSA-N	248.091	-0.110	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)c1ccccc1B(O)O	2079011632	HCTIROIKMWLENP-MNOVXSKESA-N	249.075	-0.990	50	10	BBGE	
COCCOCC1(C(=O)NN)CCOCC1	2212433803	YGBPPFONGUPRRX-UHFFFAOYSA-N	232.280	-0.564	50	10	BBGE	
OB(O)c1ccc(=NCCC(F)(F)F)[nH]c1	2212604044	LISSIXMZPPIALD-UHFFFAOYSA-N	233.986	-0.452	50	10	BBGE	
OB(O)c1cccnc1NC1[C@H]2CCC[C@H]12	2212604566	QMPPEDIOEJHLCU-YUMQZZPRSA-N	218.065	-0.028	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1OC[C@H]2CCC[C@@H]21	2213157030	RZJZFPZDRURTIE-KXUCPTDWSA-N	239.080	-0.514	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC(F)(F)C1=O	2215776786	OWDNEHAEYDAWKH-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1c1ncccc1B(O)O	2217178684	AHIDZZVQJDXXPO-IUCAKERBSA-N	235.096	-0.923	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)N1CCC1	2217180268	GHGFGHGFIHZHJB-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1c1ccc(B(O)O)cn1	2217185006	XOFRHITVEHYFTG-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CC[C@H]3C2)c1	2217198837	HASUDKYYAAHGME-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNc1ncccc1B(O)O	2217201187	CPUOKFFLBJELHV-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncccc2B(O)O)CCN1	2217202895	MSKJXUWEPIFLGR-IUCAKERBSA-N	235.096	-0.686	50	10	BBGE	
CC1(F)CC(Cn2cc(B(O)O)cnc2=O)C1	2217410329	DPRMQQISOWVUOJ-UHFFFAOYSA-N	240.043	-0.939	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@@]3(CCN3)C2)nc1	2223661101	OOXNRFGPIZRLFF-OTCDBFHCSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]3C=C[C@H]2C3)[nH]c1	2223671528	NKVYTWGAUPJPJX-DCAQKATOSA-N	244.103	-0.193	50	10	BBGE	
CC[C@H]1CNCCCN1c1cc(B(O)O)ccn1	2223674364	KNUQRWDTAGTHMP-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@@H]2CC[C@@H]2C1	2224030846	NQKUDWJAYDLCKA-ILWJIGKKSA-N	248.091	-0.641	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243356715	LZUDHOHYCOAKQJ-XPUUQOCRSA-N	222.053	-0.777	50	10	BBGE	
CCc1nc(C(=O)NC(C)C)c(B(O)O)s1	2243359027	NNZQPRUUAASRRN-UHFFFAOYSA-N	242.109	-0.477	50	10	BBGE	
O=C(NC[C@@H]1CCCN1)C1(B(O)O)CCC1	2243364044	QABAKSZIIYJJRS-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
C=C(F)CNC(=O)c1cc(C)sc1B(O)O	2243378289	QAZPNWFPZGJUPX-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
COC(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243395955	FEQLRRZYHUODJQ-ZKCHVHJHSA-N	229.085	-0.219	50	10	BBGE	
O=C(Nc1nccc(O)n1)C1(B(O)O)CC1	2243397686	HJOWSVQFGNSNQN-UHFFFAOYSA-N	222.997	-0.872	50	10	BBGE	
C[C@]1(C2CC2)CCCN1C(=O)C#CB(O)O	2243400388	AETPFDSKLNMMIV-LLVKDONJSA-N	221.065	-0.207	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]2[C@@H](C1)C2(F)F	2243400717	GWIGPESHNMUEBZ-RNFRBKRXSA-N	228.991	-0.885	50	10	BBGE	
CCCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CNC1	2243420167	NPWXBYPYXFKRSO-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243752930	OOGWIOZYCSZFLG-MYINAIGISA-N	229.041	-0.781	50	10	BBGE	
C[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2243758443	FQVVVMJJPAKCMD-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
CCCCN(O)C(=O)c1cocc1B(O)O	2244212438	PUQLIFJBSMQIIW-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1CC	2245129063	FMJVKQYLHMORCC-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
O=C(N1C[C@@H]2C[C@]2(CO)C1)C1(B(O)O)CCC1	2247721136	AEPHRXPKAFQVKH-WCBMZHEXSA-N	239.080	-0.776	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1cc(B(O)O)c[nH]1	2247743809	JQTMHRSRTQMLNP-BQBZGAKWSA-N	234.064	-0.777	50	10	BBGE	
CCOC1CC2(C1)C[C@@H]2NC(=O)C#CB(O)O	2247744697	WSTFDXXFRYDJQE-YUCVTWSNSA-N	237.064	-0.924	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1N(C)C	2247754603	NPUIORCAJAYMJR-DTWKUNHWSA-N	240.112	-0.598	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247789716	ALFSNMJAACSXTE-LOKLDPHHSA-N	239.080	-0.513	50	10	BBGE	
CC=CCNC(=O)c1nccc(C)c1B(O)O	2247791537	NDRYGISPMMCJDP-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
O=C(NCC1(CO)CCCC1)[C@H]1C[C@H]1B(O)O	2247799453	DFQIHVQFQHBHSX-DTWKUNHWSA-N	241.096	-0.482	50	10	BBGE	
C[C@@H](C1CNC1)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804720	ICASWUMSGHOECK-NRPADANISA-N	240.112	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC12CC(CO)C2	2247805398	BPISZIMNJIODAG-GWMJWBFUSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@H]1B(O)O	2247808394	UVJYQOAWKJUIKG-FKTZTGRPSA-N	238.096	-0.798	50	10	BBGE	
Cn1ccc(CNC(=O)C2CC(B(O)O)C2)c1	2247809042	XRYRCYAEFFZPQA-UHFFFAOYSA-N	236.080	-0.106	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2NCC[C@H]21	2247809256	YOGFKKXFVOXEJP-XFWSIPNHSA-N	238.096	-0.798	50	10	BBGE	
O=C(N1CC[C@@H]2NCC[C@H]2C1)C1(B(O)O)CC1	2247856394	JAGGLPRMQUXVLP-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CCN(CCOC)C(=O)c1occc1B(O)O	2247873910	HHOLXMVBTGYNPL-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
CCC[C@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2247878556	LMSPVXHUUYLKBI-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
C[C@@H]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898886	IIUCIBXMDMLSHJ-TURQNECASA-N	241.096	-0.483	50	10	BBGE	
CCCONC(=O)Nc1ccc(B(O)O)cc1	2247969630	CXCOUFFASDYZHO-UHFFFAOYSA-N	238.052	-0.171	50	10	BBGE	
COC(=O)C1(NC(=O)C2CC(B(O)O)C2)CC1	2248259010	APKWKYKGQVLFDQ-UHFFFAOYSA-N	241.052	-0.939	50	10	BBGE	
O=C(NCC#CB(O)O)c1cnc(F)c(F)c1	2248434391	XKELHACFMKRPAG-UHFFFAOYSA-N	239.974	-0.895	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248585877	RSCMDGJOUCXZOX-JECWYVHBSA-N	243.068	-0.439	50	10	BBGE	
O=C(O)C[C@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248588444	CTWSHNKJGWQIAL-GJMOJQLCSA-N	241.052	-0.685	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)c(F)cc1C	2249381900	JWBXTUDQNRTVSG-UHFFFAOYSA-N	239.055	-0.094	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1cocc1B(O)O	2249410195	MIQWYALGHGFYFO-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NCCC#CB(O)O	2249998674	LUSRLNQBFLFDSE-JTQLQIEISA-N	241.096	-0.429	50	10	BBGE	
O=C(NC12COCC(C1)C2)C1(B(O)O)CCC1	2250900697	ZHPCKUBUQPZDIN-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
C#C[C@H](NC(=O)c1ccoc1B(O)O)C(C)(C)C	2255469305	NIUVLVXQXHEWKX-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(B(O)O)cc1F	2255498082	MKKCELFMYSFWLL-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ncncc2B(O)O)C1	2255519683	AGNLWPGKEZZYKD-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCCC2(CC2)C1	2255550070	JUFJINDDYZBCAV-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)n[nH]1	2255551050	RWKXLULAOHRSMS-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1C[C@H]2CCCC[C@@H]21	2255551375	WVKLDJSRDXALIJ-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2C=CCC2)oc1B(O)O	2255578050	CJBRNXSBNMZFFR-SECBINFHSA-N	249.075	-0.036	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1ccoc1B(O)O	2255715123	AVQRHGWKNNIDJR-WPRPVWTQSA-N	249.075	-0.122	50	10	BBGE	
C=C1CC(NC(=O)c2nn(CC)cc2B(O)O)C1	2255775407	NLKPYBZZFUIHOU-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
CC1(CNC(=O)c2nccnc2B(O)O)CCC1	2256068873	GQCQEDIWXKCFRJ-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1C=CCC1	2257487399	MHJCEVBICXKBLX-JTQLQIEISA-N	246.075	-0.482	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N[C@H]1C=CCC1	2258671844	WESQHJDCUDDKIN-QMMMGPOBSA-N	247.063	-0.399	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1B(O)O	2264100307	VTGSAATYMZXVLB-ONGXEEELSA-N	247.103	-0.053	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2298371310	HMHHUDAIFNJZDR-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
CN(C)C1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300370294	KBQKRAPJECHOGM-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1(CN)CC1	2301369236	OYHGLUITPXVLIC-UHFFFAOYSA-N	232.048	-0.892	50	10	BBGE	
C[C@H](CO)CNc1ccc(C=O)c(B(O)O)c1	2301423599	UUOQBYBKZLIIAA-QMMMGPOBSA-N	237.064	-0.781	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](F)C2=O)o1	2301877506	QZECNRMODNKPJG-SSDOTTSWSA-N	241.222	-0.047	50	10	BBGE	
O=C(C1CC2(COC2)C1)N1CC[C@@H](B(O)O)C1	2303111033	FVQRISLTIBVTRQ-SECBINFHSA-N	239.080	-0.512	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CNC[C@@H]1C2	2312614848	MQLKFCUKJZHVSA-QXEWZRGKSA-N	247.107	-0.829	50	10	BBGE	
O=Cc1ccc(OC[C@@H]2CCCN2)cc1B(O)O	2317313177	SPWATGIVJGWNBX-JTQLQIEISA-N	249.075	-0.690	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2[C@H]3COC[C@H]32)n1	2318951796	LMAUWCKINFHPCP-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
CNC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl	12175272	JTBXLVXELHDHPH-UHNVWZDZSA-N	242.753	-0.515	50	10	BBGE	
CCNC(=O)[C@H](C)NC(=O)NC(=O)[C@@H](C)Cl	49230930	IWPJNJJIWOSNIR-RITPCOANSA-N	249.698	-0.036	50	10	BBGE	
CCNC(=O)CN(C)C(=O)NC(=O)[C@H](C)Cl	49724962	ZNYJLNCOAZHEPD-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
NCCC(=O)NNC(=O)c1ccccn1	49814173	MJPGVNYZXNNBGV-UHFFFAOYSA-N	208.221	-0.809	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)c1cccnc1	49828079	UPEQYWMLJNLCGM-VIFPVBQESA-N	236.275	-0.174	50	10	BBGE	
Cc1cccc(C(=O)NNC(N)=S)n1	83591009	XSJRKKIUTMJKQP-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)CCc1nnn[nH]1	95135562	ZKYZHJLWHLRLRP-YFKPBYRVSA-N	217.660	-0.172	50	10	BBGE	
CN1CCCN(Cc2ccc(B(O)O)cc2)CC1	199002485	KGILNUPIIGUYIR-UHFFFAOYSA-N	248.135	-0.496	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)CCO1	199007262	LHPFCVOMMHBFIS-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C#CCOC(=O)CC[C@H]1NC(=O)OC1=O	215074580	UTZBUOWQDFTSHP-ZCFIWIBFSA-N	211.173	-0.422	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](CN)C1	219252919	QVDNAWKJKHNCAJ-IUCAKERBSA-N	214.313	-0.574	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)C(=O)NC(=O)CCl	234366337	ARYNVFLKJQZCIJ-ZCFIWIBFSA-N	249.698	-0.225	50	10	BBGE	
O=C(Cl)CCn1ccc(=O)[nH]c1=O	238544281	XHXHTIMFMSBFPF-UHFFFAOYSA-N	202.597	-0.308	50	10	BBGE	
OB(O)c1ccn(Cc2ccccc2)n1	238650934	OMGWDHZXTFIAFP-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
C[C@@H](SCC(=O)N(C)C)C(=O)NN	300818722	ILHNSSIKHDYQSG-RXMQYKEDSA-N	205.283	-0.814	50	10	BBGE	
N[C@@H]1CC[C@H](O)[C@H](Br)[C@H]1O	306153542	BQDSBMUFYKJSPG-VANKVMQKSA-N	210.071	-0.407	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@H](O)C1	306721273	HVTVQIWUTAZOHJ-ZCFIWIBFSA-N	229.685	-0.794	50	10	BBGE	
Nc1nc(CCl)nc(N2CCNCC2)n1	307692425	RNHABMFFFZDGRU-UHFFFAOYSA-N	228.687	-0.398	50	10	BBGE	
CC1(C)SC[C@H](C(=O)NN)N1C=O	307697080	LKJDSZZFVFZAHU-RXMQYKEDSA-N	203.267	-0.714	50	10	BBGE	
COC(=O)[C@H](Cl)C(C)=NNC(N)=O	308045166	FUGBTKSPTGGLLQ-SCSAIBSYSA-N	207.617	-0.189	50	10	BBGE	
Cn1nnnc1SSC[C@@H](N)C(=O)O	308554511	ZAUBELWSXCMRNL-GSVOUGTGSA-N	235.294	-0.638	50	10	BBGE	
C[C@H]1CC(=O)N/C(=C(/C#N)C(N)=O)[C@H]1C#N	309059573	ZHIQCKNIGOYCBM-HQWLIYIGSA-N	218.216	-0.455	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@@H](N)C1CCCCC1	310330665	YKZSBHZLGUPEII-JTQLQIEISA-N	242.128	-0.246	50	10	BBGE	
CSCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	378692887	CLEVJMFQRHANKO-YUMQZZPRSA-N	234.321	-0.097	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(CN(C)C)C1	382350313	PGEQHMFJODSFGD-JTQLQIEISA-N	228.340	-0.506	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C(N(C)C)[C@@H]2C1	384795140	RROLTOSPUGFMBN-IWSPIJDZSA-N	226.324	-0.753	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1cc(C(=O)NN)no1	384990638	CDFWFRSLTLPJTK-RQJHMYQMSA-N	240.263	-0.767	50	10	BBGE	
C[C@H]1CN(Cc2nc(C(=O)NN)co2)C[C@@H]1O	388392359	SHIRAKBCJLWDMR-XPUUQOCRSA-N	240.263	-0.909	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1[C@@H](C)C(=O)NN	389457222	ZDXZSKMWDRYMFI-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
CC(C)CC(=O)NNC(=O)C[C@@H](C)N	393722536	AJLPNLBFUQDIKJ-SSDOTTSWSA-N	201.270	-0.083	50	10	BBGE	
N#Cc1cc(CCC(=O)O)ccc1B(O)O	396117073	XZSQFMCVVWDFGJ-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
O=C(O)c1cc2cc(O)cc(B(O)O)c2s1	396389378	VRNLGBHEMLTFPZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC[C@@H]1C)C(=O)NN	401908355	JCURYYHQKAUTPL-CIUDSAMLSA-N	215.297	-0.542	50	10	BBGE	
Cc1cc(N[S@@](C)=O)cc(B(O)O)c1	404858656	BNDGFEAZGISZCR-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
CCS(=O)(=O)Nc1cc(C)cc(B(O)O)c1	404867096	AMUBHADYDCWZAC-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1CC12CC2	575596013	FGHZWIDMXLMPMI-YFKPBYRVSA-N	238.077	-0.439	50	10	BBGE	
N#C[C@@H]1CNN2C(=O)C[C@@H](CCl)N[C@@H]12	575626732	JGQRVQHXWWULMC-GKROBHDKSA-N	214.656	-0.600	50	10	BBGE	
OB(O)c1ccc(CNCC[C@@H]2CCOC2)cc1	585034084	GDIGLNODVWLNAR-GFCCVEGCSA-N	249.119	-0.117	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)CCl)CC1	606290467	PQQOOUFUORSNGC-UHFFFAOYSA-N	238.696	-0.137	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(B(O)O)c1	690066756	NJFLFVBQSFQMMM-ONGXEEELSA-N	249.075	-0.352	50	10	BBGE	
C[C@@H]1CCN(S(C)(=O)=O)C[C@H]1N=C=O	693477126	WVZXIQJSYKLUBR-HTQZYQBOSA-N	218.278	-0.008	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NNC(N)=S)n1	700891280	ZBHAXOKTZHHMKU-UHFFFAOYSA-N	241.320	-0.246	50	10	BBGE	
CN1CC(CN2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703468985	ISIMANINFVDDSO-IUCAKERBSA-N	224.260	-0.536	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1CCc2cc(B(O)O)ccc21	712218999	KUPMSVFGMBVQEU-KWQFWETISA-N	245.087	-0.089	50	10	BBGE	
CN(C)NC(=O)c1cnc(CN)s1	720182035	KHVYUPMHJIBQQH-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CCOCC(=O)NN=C1CC(=O)N2CCC[C@H]12	799480129	OROKESXANIMGLW-SECBINFHSA-N	239.275	-0.110	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)CC1CC1	819123176	SIZWMIUIXBGXBC-UHFFFAOYSA-N	244.291	-0.013	50	10	BBGE	
COC1CC(C(=O)NNC(=O)[C@H]2CCCO2)C1	861820863	FNZUPSMDPMSWOX-AMDVSUOASA-N	242.275	-0.262	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C#N)CO)cn1	1157964074	SOLXGVNWENGVKD-XLDBQWFASA-N	245.242	-0.672	50	10	BBGE	
Cn1ccnc(NNC(=O)[C@H]2C[C@@H]2F)c1=O	1160934608	OIHRDUQEYMUUHM-WDSKDSINSA-N	226.211	-0.419	50	10	BBGE	
CCOCCOCC(=O)NNc1cnnn1C	1324290007	IQEZOPHTGSEUKH-UHFFFAOYSA-N	243.267	-0.689	50	10	BBGE	
O=C(CCCCCO)NNC(=O)[C@H]1CCCO1	1450400840	RWZWDFWTXYZJOP-SECBINFHSA-N	244.291	-0.135	50	10	BBGE	
COc1ccc2nc(C(=O)NN)cn2c1	1875251890	RYKYIWMXKFXUEW-UHFFFAOYSA-N	206.205	-0.054	50	10	BBGE	
O=C1C[C@H](NC[C@H]2C[C@H]2Cl)C(=O)N1	1883552502	NBMBBFXQAWYUQZ-PBXRRBTRSA-N	202.641	-0.382	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H](C)N(C)C	1888051419	XSGLAYICROWIAY-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
CCON(C)Cc1nc(B(O)O)cs1	1891784275	ZFKGIPBLTRWOCC-UHFFFAOYSA-N	216.071	-0.794	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN([C@H](C)C(=O)NN)C1	1894667444	VLIDKIWLHFRWOP-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CON(CC(B(O)O)=C(C)C)[C@H]1CCOC1	1901608694	BQYVGYOANFKAEE-VIFPVBQESA-N	229.085	-0.013	50	10	BBGE	
O=C(CCN1CC[C@H](B(O)O)C1)NC1CC1	1902505936	NEWXULBPZOIPAZ-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCc2cn[nH]c2)C1	1902541588	QBNWOAQCVULKDP-SNVBAGLBSA-N	223.085	-0.109	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@H]1[C@H](O)C2)C(=O)NN	1904371862	WUHFKMNYCASKSX-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cc(B(O)O)sn1	1904907517	YYUFXOIQIIOJKL-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
OB(O)c1cnn(C[C@H]2O[C@H]3CC[C@H]2C3)c1	1905110283	MBWMZTFUSDRKLY-UJNFCWOMSA-N	222.053	-0.870	50	10	BBGE	
CCC[S@](=O)Nc1ncccc1B(O)O	1913617277	IXYTYTQKGVHEEC-HNNXBMFYSA-N	228.082	-0.753	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1occc1C(=O)NN	1914257652	VOEALTKXSRVPRN-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)C(F)(F)F	1923448414	QIKDGIUPYZEYQR-RXMQYKEDSA-N	238.165	-0.266	50	10	BBGE	
CC[C@@H]1CCCN1CCOCC(=O)NN	1928183082	NFHHWUAUGWRLDV-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
Cn1[nH]cnc1=N[C@H]1COC[C@H]1Cl	1930288939	FILIGTHXNPPWHK-RITPCOANSA-N	202.645	-0.345	50	10	BBGE	
NNC(=O)C1(CN2CCCCC2=O)CC1	1931268839	LLQDTQLQTUJREP-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCOC1(C)C	1933165305	CEIXDISWFNWRRW-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
CC(C)n1ccc(C(=O)NNC(N)=S)n1	1933229835	VXJVLJVFKZOFHD-UHFFFAOYSA-N	227.293	-0.058	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC(F)(F)C(=O)NN)CO1	1935924320	AWUNVEFCSAGNRZ-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
N#CC1CCN(CC(F)(F)C(=O)NN)CC1	1935936125	QZNMMJLFEZVLED-UHFFFAOYSA-N	232.234	-0.153	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CC2(C(=O)NN)CC2)C1	1938246938	NMLWOSKANSDLLH-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN(C)CCN1CC1(C(=O)NN)CC1	1938247085	OZQAHLNEQHZRID-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(CC(C)C)C1	1938436546	NHJJTILJCUHDLP-SNVBAGLBSA-N	229.324	-0.031	50	10	BBGE	
CN(C)NC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@H]21	1940204272	XZCWGDQGSNNXNA-CSMHCCOUSA-N	243.263	-0.511	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)N1C	1941086907	KWSCEKHFSXDXBF-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
O=C1CN([C@@H]2CCO[C@]23CCOC3)CC(=O)O1	1941135393	DOICMNYHXPIEOQ-KCJUWKMLSA-N	241.243	-0.680	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C(CO)[C@@H]2C1	1943070048	HMGJJNFOUYYRGG-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1CC1(C(=O)NN)CC1	1945883458	ZFSBVLUMWPEKQM-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC(C)CNC(=O)Nc1cccc(B(O)O)n1	1946708554	XSXSTIXAVFWFPJ-UHFFFAOYSA-N	237.068	-0.461	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]([C@H]2CCCOC2)C1	1947536160	LYWZIVKBVYKDBU-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@H](O)[C@H]1CC2)C(=O)NN	1948487465	WJWLLXRNLGUMCV-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
NC(=O)NC1CN(C(=O)OCCl)C1	1954680076	GHKLBMWWWMLNPX-UHFFFAOYSA-N	207.617	-0.328	50	10	BBGE	
NC(=O)CC1CN(C[C@@H](O)CCl)C1	1954822714	TWZQWFUJPRKOAT-ZETCQYMHSA-N	206.673	-0.607	50	10	BBGE	
CN1C[C@H](N=c2[nH]nco2)[C@H](Cl)C1	1954866033	UQHWENVJSQMJLE-RITPCOANSA-N	202.645	-0.175	50	10	BBGE	
COCCSc1ccncc1B(O)O	1956964673	HMCTUZKLZQWFGF-UHFFFAOYSA-N	213.067	-0.500	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1957559027	GRPYNJUUXKSTJR-MVEQLIQHSA-N	233.695	-0.140	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@@H]1CO	1960268910	KLITXZFMNQPLNP-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CCCC1	1961283019	KCTQQQQUDINACL-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CN1CC[C@H]2C[C@@]2(O)C1)C(=O)NN	1961406908	PEKFXUDQVGLIKU-KHQFGBGNSA-N	213.281	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975303128	IXUSEWPBZORGSQ-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
CC[C@@H](N=[S@@](C)(=O)N1CCCC1)C(=O)NN	1979784072	FOTPXACJCMUTBW-VPTHRUTESA-N	248.352	-0.137	50	10	BBGE	
CCc1ncncc1N1CC(=O)OC(=O)C1	1984251338	RPWUWUMPXHHWQS-UHFFFAOYSA-N	221.216	-0.071	50	10	BBGE	
CN(CCCO)C[C@H]1CC[C@@H](C(=O)NN)C1	1985357919	UMZUAQCAAPAYKX-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	1986733157	ZOVQEQHICKDZIC-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CN(C)CC12CC(CO1)C2)C(=O)NN	1989833847	NLOSWUAARCBCOS-FKTRJACZSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)NCC=CB(O)O	1991332405	QWRDGQNLGKBMJA-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1[C@H]2CC[C@H]21	1991334407	WCDIXLAOABAZEN-KDDQHCCQSA-N	221.065	-0.141	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@]2(CO)C[C@]2(CO)C1	1991686007	NYIYVFHSTQWBMW-MPKXCIJOSA-N	245.706	-0.183	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3[C@@H]2CO)CC1	1992535163	FVKFKGMEUCJNPY-YIZRAAEISA-N	225.292	-0.931	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1993221333	UPCRDIJGRMTTJW-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
Cc1nc(OC2(C)CCC2)ncc1B(O)O	1995607181	ULPYDHCLDYYOJC-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccco1	1996646835	XNLPOVLXIPGNON-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@H]1CN[C@@H](C(=O)N2CCC(O)(C#N)CC2)C1	1997068146	IRIVUBIRMWJHPF-NXEZZACHSA-N	237.303	-0.139	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]21	1998124769	BGGHLLOXMPZCCB-XUTVFYLZSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCOC1	2004392325	BYIATEIHMVNPQP-BDAKNGLRSA-N	241.291	-0.606	50	10	BBGE	
CC1(C2CC2)CN(c2ncncc2B(O)O)C1	2004916550	MSOKXJLQDQPBGG-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004919399	YLYRAHMUAGSXIP-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)cc2C)c(C)n1	2005007209	BNKYQSPXCMNBQL-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCCC12CC2	2011898746	NNNGIRMQPRUIHO-SECBINFHSA-N	234.064	-0.132	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@H]1F	2013727035	DIZQDHPQVQUTBA-IWSPIJDZSA-N	249.286	-0.950	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1ncncc1B(O)O	2016812461	PTXPVIOMYDLWTF-HTQZYQBOSA-N	239.059	-0.802	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@](C)(N(C)C)C1	2019211168	PPTKVTNHGSIHGX-LLVKDONJSA-N	242.323	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccn(C)n1	2019218038	CJMYMMOHRWTNLD-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
CCCCN(C1COC1)[C@@H](COC)C(=O)NN	2020600897	BLSONYUOZJAFAY-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021436928	KHVVFGMYBBKNDH-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
OB(O)c1cnccc1N1CCC2(CCO2)CC1	2052459049	APSIAAHRUKJQOB-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)cc2)on1	2079009453	HJQAHEUXHDLCHN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@H]2C(=O)NN)CC1	2211838206	DQLJJLZQVZPOSS-NXEZZACHSA-N	226.324	-0.750	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212294831	XLEMJFOOXOCQGX-AYMMMOKOSA-N	219.049	-0.061	50	10	BBGE	
Cc1cnc(S[C@@H](C)CCO)cc1B(O)O	2212599196	DYNPUSRLLOFFKA-QMMMGPOBSA-N	241.121	-0.067	50	10	BBGE	
Cc1cnc(NC2[C@H]3CC[C@H]23)cc1B(O)O	2212603178	DBPPORZEAOSQFM-YUMQZZPRSA-N	218.065	-0.110	50	10	BBGE	
Cc1cnc(Nn2cccc2)cc1B(O)O	2212604115	MKRXUUFTXNLRJM-UHFFFAOYSA-N	217.037	-0.253	50	10	BBGE	
CCNCCOc1cc(B(O)O)c(C)cn1	2212604727	RULRMLMCFUXKAK-UHFFFAOYSA-N	224.069	-0.942	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H](F)C2)[nH]c1	2212614955	IXRAXJKWNYEKRD-XWEPSHTISA-N	224.044	-0.657	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215770862	DZCJVOZOFYOGMM-UMNHJUIQSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)C1(CN2CCCCO2)CCOCC1	2216869248	BDLGQSPPRXTOHT-UHFFFAOYSA-N	243.307	-0.200	50	10	BBGE	
CC1(COc2ncccc2B(O)O)CC(N)C1	2217167152	RCFFVOCQAGTRKU-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@@](C)(N)COc1ncccc1B(O)O	2217174005	RXHJIFGNMDTFBE-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2[C@H]3CCC[C@H]32)nc1	2217178157	SBZZLZYTWUUDMI-ILWJIGKKSA-N	233.080	-0.386	50	10	BBGE	
CCC[C@@H](CNc1ncc(B(O)O)cn1)OC	2217198065	VVKUDDCSHFDEQT-VIFPVBQESA-N	239.084	-0.617	50	10	BBGE	
Cc1nc(CNc2ncccc2B(O)O)no1	2217204854	PSGWCYJUKARXBT-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCCNC1	2223626240	HDDJJLKEICRPBY-GFCCVEGCSA-N	249.123	-0.437	50	10	BBGE	
NCC[C@H]1CCCCN1c1ncccc1B(O)O	2223665158	CXXFSDVYHZHXAT-SNVBAGLBSA-N	249.123	-0.531	50	10	BBGE	
CC12COC(CNc3ncc(B(O)O)cn3)(C1)C2	2223672079	CSULHOLQNIDAIY-UHFFFAOYSA-N	249.079	-0.863	50	10	BBGE	
C=C[C@]1(O)CCCN(c2ncccc2B(O)O)C1	2223674300	KCLWCPMACGPMEF-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
O=C(Nc1csnn1)[C@H]1C[C@@H]1B(O)O	2241474965	OBUCXSQNYKBPBN-IMJSIDKUSA-N	213.027	-0.661	50	10	BBGE	
NC1CN(CC(=O)N[C@H]2C[C@H](Cl)C2)C1	2241659800	MPARDCWHTFBZGZ-FKQCQYRASA-N	217.700	-0.485	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](O)CC[C@H]1C(=O)O	2242679241	SWNANIBXHRWJMC-BQBZGAKWSA-N	231.252	-0.918	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=C(F)C1	2243349419	LACUZWOMHWVWGG-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(CCF)CC1	2243362089	LWJBYPNJABZRPW-UHFFFAOYSA-N	227.044	-0.400	50	10	BBGE	
CN(C(=O)c1csnc1B(O)O)C1(C)CC1	2243378754	YQGHSJJNZJHCHL-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CC1(O)CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381682	IHOTXBBZHOJGDL-NLZKFAMNSA-N	227.069	-0.731	50	10	BBGE	
O=C(C#CB(O)O)NC1CC(C(F)(F)F)C1	2243400004	UKNYMGNIWKSDTI-UHFFFAOYSA-N	234.970	-0.541	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCCO1	2243409369	GQBRYDVGPCUSHR-SECBINFHSA-N	227.069	-0.321	50	10	BBGE	
CC1(C)COCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243420196	OCYZANSRARNFHQ-ZKCHVHJHSA-N	227.069	-0.166	50	10	BBGE	
C[C@@H]1NC[C@@H]1Oc1cc(B(O)O)c(Cl)cn1	2245912943	JUZQJIFCRPAYAT-XNCJUZBTSA-N	242.471	-0.846	50	10	BBGE	
Cc1ccc(B(O)O)c(N2O[C@H]3CC[C@H]2C3)n1	2247069816	DCPHGLKIHKRGOT-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2247732398	FCWNVVMUQPFOBI-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CC[C@H]2C1	2247734165	FVUPJUFUATZYSS-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2247736243	SXIYTUAUEGJJGY-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
CON(C)C1CN(C(=O)C2(B(O)O)CCC2)C1	2247738911	WHBRNTZQUZEHRM-UHFFFAOYSA-N	242.084	-0.913	50	10	BBGE	
CON(C(=O)c1ccc(B(O)O)o1)C1CCC1	2247739938	DDBGGOXRKLMPPC-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1	2247740351	JGQAUZWRPLZVEP-GUBZILKMSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]([C@@H]1CCCOC1)N(C)C(=O)C#CB(O)O	2247746600	BDIGWLKLVXTQDX-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@H]1CN2CC[C@H]1C2)C1(B(O)O)CCC1	2247750026	DATKLYOXPMPXTF-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CCC1CN(C(=O)c2cncc(B(O)O)c2)C1	2247771637	NGIUVBYJMOXLQY-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
C=CCN(CC)C(=O)c1ncccc1B(O)O	2247771695	XWJAPFVTGWKOSK-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
Cn1[nH]c(=NC(=O)C2CC(B(O)O)C2)cc1F	2247797528	KMGISVKPPGEOSI-UHFFFAOYSA-N	241.031	-0.827	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2247849993	IJPXQWAESHWERL-RQJHMYQMSA-N	248.997	-0.341	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850351	NHINEPWEUJFXNN-MRVPVSSYSA-N	234.064	-0.657	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247851669	ICYLYONVJTVCSR-KATARQTJSA-N	240.112	-0.694	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1CC=CC1	2247877742	JSXWILSNTLUCRD-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247878649	MAASKGMZDKSKCY-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C=CCC(=O)Nc1ccc(OC)cc1B(O)O	2248419683	FWXBVDSRBYXUPM-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2COC3(CCC3)C2)c1	2248794387	AAEHQADSTKRIIL-SECBINFHSA-N	236.080	-0.478	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)co1	2249408973	SCUKSEVBSKYAPI-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(O)cc1	2250003986	FALXEKYCMXKHDR-UHFFFAOYSA-N	233.032	-0.473	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(=O)O)C1CCC1	2250555339	JCZOFLIJWPGXAF-UHFFFAOYSA-N	243.263	-0.907	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1occc1B(O)O	2255472862	FTHYSENLABYSKV-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
O=C(NCCc1ccccn1)[C@H]1C[C@H](B(O)O)C1	2255570558	HLVVQMBTEOZUND-MGCOHNPYSA-N	248.091	-0.007	50	10	BBGE	
NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2255571608	QGJHLPCTRYSTKY-BDAKNGLRSA-N	248.047	-0.413	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255572983	FNMFAZLLIAOYHH-SECBINFHSA-N	247.059	-0.591	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]2CC[C@H]21	2255671875	XWWBPJGTZDBITI-LDYMZIIASA-N	248.091	-0.291	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(CC2CC2)C1	2255673423	QCZSONRAEPAEEZ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1C[C@@H]2C[C@@H]2C1	2255676660	UPMJICRGQUAAJA-BRPSZJMVSA-N	249.075	-0.170	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(B(O)O)cc1C	2258263460	DLWDELZMYWOCQL-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2298166049	OVQPIQWELQPAKK-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298369932	JJPLDXGLOGZLGF-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
NNC(=O)C(F)(F)OCc1nnn2c1CCC2	2301184453	AEZAXYYFEFFHIX-UHFFFAOYSA-N	247.205	-0.676	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@@H]32)C1	2303109469	RLFPVBACAGDIMA-DKIAZLNASA-N	239.080	-0.513	50	10	BBGE	
NC1CCN(c2ccc(C=O)c(B(O)O)c2)CC1	2317352312	XKUGTQJHQLMFGR-UHFFFAOYSA-N	248.091	-0.894	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ncccc1B(O)O	2318347036	JRPCHLQJAVPZPL-ATZCPNFKSA-N	248.091	-0.625	50	10	BBGE	
CCCCC(=O)NN[C@@H]1CCS(=O)(=O)C1	5614681	NAMMASGWVFJVMY-MRVPVSSYSA-N	234.321	-0.016	50	10	BBGE	
COC(=O)CCN(C)C(=O)NC(=O)CCl	42553141	OBBURNSYJWJMMY-UHFFFAOYSA-N	236.655	-0.044	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOc2ccccc21	51988338	OGGQUKXQQLVCCZ-MRVPVSSYSA-N	235.243	-0.384	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCl	70911676	OHEBYJFYYXWQMC-RQJHMYQMSA-N	234.683	-0.548	50	10	BBGE	
Cn1c2c(c(=O)n(C)c1=O)CC(C#N)=CN2	96912168	JYTCPPZCKDSNQV-UHFFFAOYSA-N	218.216	-0.541	50	10	BBGE	
CCCSCC(=O)NNC(=O)c1c[nH]nn1	104648061	SKYNQPIZTLEQMB-UHFFFAOYSA-N	243.292	-0.291	50	10	BBGE	
CNCCCN(C)Cc1cc(C(=O)NN)co1	125011591	WSSIOLKXSOSBAT-UHFFFAOYSA-N	240.307	-0.076	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@H](CCl)[C@H]1O	146251340	FRMQBZPOJJJUAQ-KVTDHHQDSA-N	201.049	-0.047	50	10	BBGE	
COCCNC(=O)NNC(=O)C(F)(F)F	170835188	DCEDALZYZYKNEC-UHFFFAOYSA-N	229.158	-0.475	50	10	BBGE	
COCOc1cc(OC)c(OC)cc1B(O)O	195920139	ROQWPBZRSSJNAP-UHFFFAOYSA-N	242.036	-0.634	50	10	BBGE	
OB(O)c1ccc(N2CCSCC2)cc1	196954529	NCNTZIKZRQRYTB-UHFFFAOYSA-N	223.106	-0.080	50	10	BBGE	
OB(O)c1cnc(-c2ccccc2F)nc1	198019559	FEGATFWEUNVPEU-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
OB(O)c1cnc(-c2ccc(F)cc2)nc1	198019593	ICTTWQRFYUCWFG-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
Cc1cccn(Cc2cccc(B(O)O)c2)c1=O	203177617	HSWQKGBFPQTCJH-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
OB(O)c1cc(F)ccc1O[C@@H]1CCOC1	203528503	NDIFCQOZVIATTR-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
NNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	220370215	YOFDQSMQMXEUBM-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@@H](N)C1	223081149	KTQAROMEBYVUIC-MNOVXSKESA-N	234.303	-0.249	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1ccc(=O)[nH]n1	234688842	NZIAFJFOPLKKMQ-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
C[C@H](Br)C(=O)NCc1nnn[nH]1	235438280	ZQRAYBLSAVNNLT-VKHMYHEASA-N	234.057	-0.401	50	10	BBGE	
OB(O)c1cncc(C(F)(F)F)c1O	238636321	GVGNZJLWALNAFG-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
Cc1cc(C[C@H](N)C(=O)NN)ccc1F	258934880	BJTTZDSHOOZLIH-VIFPVBQESA-N	211.240	-0.006	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC[C@@H](N)C1	302454048	XSEDMMMPMXWJSQ-SECBINFHSA-N	249.318	-0.392	50	10	BBGE	
CCN1CCCN(C(=O)NN)[C@@H](C)C1	306314514	YVAUXNJXXOSFCR-QMMMGPOBSA-N	200.286	-0.014	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@H]2C[C@H]1CO2	307151189	VKADVUPUIZBHJX-NTSWFWBYSA-N	218.640	-0.066	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2C[C@H]1CO2	307433482	OAVBCMLXJAQQGD-WDEREUQCSA-N	233.076	-0.661	50	10	BBGE	
CCCC1(O)CN([C@H](C)CCC(=O)NN)C1	384097735	DPYCNEPSSSRQAJ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)[C@@H]1CCCO1	390459322	FDRXZMDMZLBULJ-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
COC(=O)/C(C#N)=C(N)/C(C#N)=C\N(C)C	390481674	LPYOVWCPQVXFTG-JPDBVBESSA-N	220.232	-0.135	50	10	BBGE	
CCc1nc(CNS(=O)(=O)CCl)n[nH]1	392354508	KTYMXQURJYWKCH-UHFFFAOYSA-N	238.700	-0.017	50	10	BBGE	
O=C(O)c1ccc2oc(B(O)O)nc2c1	396111805	KCWZGSYCFBWREW-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
Nc1c(CO)cc(B(O)O)c2ccsc12	396238750	AQNBBFXLEIDULI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C[C@H](O)C[C@@H]2C1	405554480	AHSCPHSTFDZGKE-DJLDLDEBSA-N	232.711	-0.109	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCN(CC)C1	689046461	DYAJAKLIOKWFIW-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCC[C@H]2O)CC1	692085305	LIGKHIFDCNGTID-GHMZBOCLSA-N	240.303	-0.266	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@@H](C(=O)O)C1	700419527	LUOJPIUHEIXDCY-ZETCQYMHSA-N	231.252	-0.794	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(CC(N)=O)CC1	700785180	CGMCOKOMSIHAEY-SSDOTTSWSA-N	233.699	-0.757	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@]2(C)C1	702404972	JDSYNGUNIHOTOZ-CKYFFXLPSA-N	240.351	-0.362	50	10	BBGE	
CN(N)C(=O)C[C@H]1CCS(=O)(=O)C1	704672140	DYMCWIFZCKOZKP-ZCFIWIBFSA-N	206.267	-0.857	50	10	BBGE	
CC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	704946139	KRBNPYBXLVIPIA-BDAKNGLRSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(n2cncn2)C1	707390112	BXBICXBKFVBDBN-SFYZADRCSA-N	238.295	-0.851	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@@H](CO)C1)C(=O)NN	708123290	FGRSCUDDHCBHRC-DJLDLDEBSA-N	215.297	-0.827	50	10	BBGE	
O=C(CCCl)N[C@@H]1COCC[C@H]1O	710945862	NSWQXTJGZKNYAZ-RNFRBKRXSA-N	207.657	-0.119	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)C(=O)NN	718259867	NHPZFIAVBASONZ-ISUQUUIWSA-N	239.319	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@]1(C)CO	723021812	AWXMOVPQPQNCBJ-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](N[S@@+]([O])(=O)CCl)c1c[n+](C)n[nH]1	725702748	DLVUBYHZYZGELA-OVZGEXIGSA-O	239.708	-0.159	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCS1	768256462	QDEALGVCTUQYRK-LURJTMIESA-N	232.305	-0.200	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)C1(O)CCC1	772847564	FAHMKXGFPTVGDU-UHFFFAOYSA-N	249.270	-0.314	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H](C(=O)O)C1CC1	852942044	CZCKQKMHIKRHBR-SSDOTTSWSA-N	243.263	-0.210	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C12CCN(CC1)C2	911444253	CNQZGBUMKGFHOS-VIFPVBQESA-N	227.308	-0.574	50	10	BBGE	
CC(=O)NNC(=O)CC1(O)CCOCC1	1136046319	UEVZKNOZGQTNFA-UHFFFAOYSA-N	216.237	-0.915	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](OC)[C@H]1CCOC1	1328185066	NMOFVDQVOGFVRG-YUMQZZPRSA-N	245.279	-0.612	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cnc(Cl)n1C	1349824917	UGINRSQUBYVXBF-UHFFFAOYSA-N	244.638	-0.303	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)c1ccncc1	1540409806	RHXZRIZZAMLOEF-UHFFFAOYSA-N	248.286	-0.040	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)[C@@H]1COCCO1	1566168925	YGEVDVPJLVXMSG-XZLDQRQTSA-N	242.275	-0.095	50	10	BBGE	
Cc1cccc(NNC(=O)CC(N)=O)n1	1641054410	RYLLPUVCRVXGJU-UHFFFAOYSA-N	208.221	-0.291	50	10	BBGE	
Cc1nnc(NNC(=O)c2cn(C)cn2)nc1O	1641109946	CRXORWIDHXHVRV-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2cnccc2[nH]1	1641424265	SIQHQOLATXMBBR-UHFFFAOYSA-N	234.215	-0.684	50	10	BBGE	
Cc1c(C(=O)NNc2ccn(C)n2)nnn1C	1654550648	WFPKTRVOXZEGGC-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
O=C(CCl)NCCN1CC[C@@H](O)C1	1865982733	PAGOYOPNNYWWEK-SSDOTTSWSA-N	206.673	-0.592	50	10	BBGE	
NC[C@H](O)C(=O)N[C@H]1C[C@@H](Br)C1	1880965536	ZCLBTEXWDCMAJC-JKUQZMGJSA-N	237.097	-0.652	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(C[C@H](O)CCl)C[C@H]21	1887084458	QWKQOYICXIUSLH-XLPZGREQSA-N	239.724	-0.685	50	10	BBGE	
CNc1cc(B(O)O)cc(C(=O)OC)c1C	1887551550	ONRHWWXPZHIXIV-UHFFFAOYSA-N	223.037	-0.497	50	10	BBGE	
C#CCC(=O)NN(C)S(=O)(=O)CC	1888562782	ARXHDKCHCXYPHF-UHFFFAOYSA-N	204.251	-0.678	50	10	BBGE	
CC(C)[S@](=O)N1CC[C@H](B(O)O)C1	1891516255	GFLNIHXMGVFSJP-CPFSXVBKSA-N	205.088	-0.393	50	10	BBGE	
CNCCOCCNC(=O)[C@H]1C[C@H]1Cl	1893454176	UMHZVQJYGXGTCC-JGVFFNPUSA-N	220.700	-0.034	50	10	BBGE	
O=C(N[C@@H]1CNCC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893460208	CEANUULWJKDVKA-XUTVFYLZSA-N	218.684	-0.547	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@H]1C2	1893840579	ABSBGLOETAVLHK-FXQIFTODSA-N	211.265	-0.234	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@@H]1CO	1900534630	QMXNJFXFDCQOMZ-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
N#CC1(F)CN(C(=O)C2(B(O)O)CCC2)C1	1901274973	BLYDQWLFEYHKFO-UHFFFAOYSA-N	226.016	-0.542	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCSC2)O1	1902760388	ZOOAXQLPESKTHN-DTWKUNHWSA-N	245.348	-0.080	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCOC2)ncc1F	1903006513	UTFRTZXWGFXUOQ-LURJTMIESA-N	226.016	-0.899	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@]2(CO)C1	1907913014	JCOGNDUFUHFGHP-IONNQARKSA-N	249.261	-0.684	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)[C@H]1C1CC1	1908855168	XBPXCGAPORAXPE-GWOFURMSSA-N	239.319	-0.542	50	10	BBGE	
CC=C[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923425062	QGRLIODQLJVOKQ-BYPYZUCNSA-N	226.154	-0.367	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2COCC[C@@H]21	1928027684	XFOJFPLOLAUPSL-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@H]1[C@H](C)CCN1CCOCC(=O)NN	1928179245	NYSDTJLONQVHCM-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1C(=O)NN	1928670629	BAYAAEARDWPVTI-RITPCOANSA-N	200.242	-0.974	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@H]1CO	1929733264	JNIRQSQCOLTTLR-LURJTMIESA-N	213.686	-0.378	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1[C@H]2COCC[C@H]21	1930434372	SRWWTKXJFFVANP-NGJCXOISSA-N	215.278	-0.867	50	10	BBGE	
CN1C(C)(C)[C@](O)(C#N)CS1(=O)=O	1931281344	WEEXASVVXPIJGN-ZETCQYMHSA-N	204.251	-0.705	50	10	BBGE	
C[C@]1(CCl)CN(C[C@@H](O)CO)C1=O	1931733187	GPIWIWMSSADRFA-SVRRBLITSA-N	207.657	-0.573	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNCCSC1	1933021207	LNTNCLRSZCUKCC-ZETCQYMHSA-N	203.311	-0.468	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)NNC(N)=S	1935365633	SIJRAGSDWDJEAV-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
CC1(C)CCC[C@H](CNC(=O)C(=O)NN)O1	1935782849	VHLGPDWHJGBDPE-SSDOTTSWSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCCS1(=O)=O	1936087068	YDNVKNLBVUIOPW-YUMQZZPRSA-N	247.320	-0.962	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CCCO2)C1	1936088872	RVNYXECLIDCLTJ-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936090008	XUXNOBUVKRFNPX-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
CCCNC(=O)CSC[C@H]1C[C@H]1C(=O)NN	1936093546	FPSJIKJSOPOUAY-HTQZYQBOSA-N	245.348	-0.128	50	10	BBGE	
CCOCCN(CC)C[C@H]1C[C@H]1C(=O)NN	1936095362	WLISKCJRRNHVQP-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H]2COC[C@@H]21	1940866986	JNPQJXIBKJOHKJ-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H]1CCO	1941088785	RXKGUGJQYHKFDU-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@]2(CO)C1	1942487064	MRJPOTGLDLCVBS-ZYHUDNBSSA-N	241.335	-0.149	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)C[C@H]1C	1944321906	JFONIAZIIFIAGN-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN([C@H](C)CC(=O)NN)C[C@H]21	1944582055	QZBRMUQOMCTQMZ-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](N)[C@H](C)C1	1949753320	XVFDJLZDHUMROH-VROVMSAKSA-N	242.323	-0.931	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@@H](C)Br	1953744958	HDXRQGSRLSWNDV-NGJCXOISSA-N	240.097	-0.372	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@H]2C[C@H]21	1953943089	AXBXBSYGWDMIGH-HLTSFMKQSA-N	204.701	-0.026	50	10	BBGE	
C=C(CCl)CN1CCOC[C@@H]1C(N)=O	1956260280	IDLQNZJMVPORGG-MRVPVSSYSA-N	218.684	-0.033	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C[C@H](O)CCl)C1	1956438214	KZWHDLSLZYTBBK-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
CO[C@H]1CC(C(=O)N(C)N)C[C@@H]1OC	1957302329	UKQXMNUKPQKWAZ-YUMQZZPRSA-N	202.254	-0.242	50	10	BBGE	
CCOC[C@H](NC(=O)NN(C)C)C(=O)O	1957853112	HBKOHZKFJHEIFV-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
CNC(=O)CN(CCCCl)CC(=O)NC	1960166676	ZUPBEPSRAMBDAU-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1CF	1961513422	UKJVKJKMSDEHRD-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]12CC[S@@](=O)C2	1975996793	ZVMMJKUFWKTUDF-MGPLVRAMSA-N	245.348	-0.647	50	10	BBGE	
Cc1ncn(-c2ccc(B(O)O)cn2)c1C	1981454899	QXARTZJBLIHCSL-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CN(CCC(=O)NN)C[C@]1(C)COCCO1	1982115361	PJZUSICBXCHUNF-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
COC1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	1985356749	IGOOGPXNZGQTDT-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1CC(N)=O	1986123501	XMLGQYNTSCZXDR-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
NC(=O)NNC(=O)[C@]12CCCCN1CCC2	1986980021	NLQWHNOZTWPZCN-SNVBAGLBSA-N	226.280	-0.296	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1990040760	IYKUKJWJJKCDSZ-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
CC[C@@]12C[C@H]1CN(CC(=O)NNC(C)=O)C2	1990774569	KRHDFNSLAVTCJM-ONGXEEELSA-N	225.292	-0.114	50	10	BBGE	
CO[C@@H]1CNCC[C@@H]1NC(=O)C=CC(=O)Cl	1991654463	LBZVTUDJMQMZQX-JGVFFNPUSA-N	246.694	-0.199	50	10	BBGE	
C[C@]1(O)CCN(C(=O)C=CC(=O)Cl)C[C@@H]1O	1992071927	YOSZVULSNMDMNF-XVKPBYJWSA-N	247.678	-0.348	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	1992535290	HDOBCAGGXXTMSH-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]21	1993441106	UVKBKTJKKZWTKA-KPCSLPGQSA-N	242.662	-0.502	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1997586688	UIKBRUGIAMBGLS-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
COC[C@H](C(=O)NN)N(OC)C1CCOCC1	2000669777	JZQLSEFIBHMKBK-SECBINFHSA-N	247.295	-0.966	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](n2ccnc2)C1	2004325380	DRPWKBLMCLHCNK-JTQLQIEISA-N	237.307	-0.100	50	10	BBGE	
Cn1nccc1[C@@H]1CCCN1CCC(=O)NN	2004399617	RJJCCLRSECRYSS-JTQLQIEISA-N	237.307	-0.063	50	10	BBGE	
Cn1ccnc1[C@@H]1CCCN1C(=O)C(=O)NN	2004408624	YPNMZFMRJWBCRE-ZETCQYMHSA-N	237.263	-0.927	50	10	BBGE	
Cc1cc(C)n(-c2nccc(C)c2B(O)O)n1	2005009418	NBNZVPQWTZGVOG-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CC[C@H]3C2)c(B(O)O)c1	2005016907	WSMCWTJMTUPZTN-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1COC2CC1C2	2011811834	AFENCXXLYOSCCD-RRQHEKLDSA-N	249.261	-0.279	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CCCCN1CCC2	2013374142	JRKLHOZGUHBFMN-LBPRGKRZSA-N	240.351	-0.073	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCC(=O)N(C)C1	2014825521	NDUKBCOPPGCMNJ-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
CON(c1ncc(F)cc1B(O)O)C1CCC1	2014928023	GFEBSZUOHKYLRE-UHFFFAOYSA-N	240.043	-0.179	50	10	BBGE	
CC(C)(CN1CC[C@@H](CO)C12CC2)C(=O)NN	2016079228	FWBQDCZXGWNESQ-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N(C)C)[C@H]1C	2019211856	RFXHQLNLHXRWON-SCZZXKLOSA-N	242.323	-0.822	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020068243	PGETWVVMYNSYEE-FKTZTGRPSA-N	239.080	-0.372	50	10	BBGE	
CCC12COC(CN(C)C(=O)C(=O)NN)(C1)C2	2025151466	DNUGAWMAWANCMD-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](CN1[C@@H](CO)CCC12CCC2)C(=O)NN	2025476636	SXQJSKCWAVQTSB-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2CN3CCC2CC3)n1	2033953057	PHSCELOHJOCIGY-LLVKDONJSA-N	249.123	-0.705	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2052468436	CRFINUAOJYJXPN-LNRQSERFSA-N	245.091	-0.753	50	10	BBGE	
CCN(CC1CN(C)C1)c1ccc(B(O)O)cn1	2052472921	OSFOUTAHFOXREE-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
OB(O)c1ccc(N2CC(N3CCCC3)C2)nc1	2052473941	WVYCWGZRJGQLGS-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
COc1nc(N2CCCC23CC3)ncc1B(O)O	2052628193	XANNXUMKRSDJFJ-UHFFFAOYSA-N	249.079	-0.702	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)ccc2F)C1	2079012740	YTTVHABKYYBRIQ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
CCOCCCN=c1cc(B(O)O)cc[nH]1	2212610112	CLCXDPYXRPSGNV-UHFFFAOYSA-N	224.069	-0.978	50	10	BBGE	
C[C@@]1(N)CCCN(c2cc(B(O)O)ccn2)C1	2217177382	IJJWVMUGPHKMJQ-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
C#CC(C)(C)N(C)c1cc(B(O)O)c(C)cn1	2217181517	QYQOTFBESULXLY-UHFFFAOYSA-N	232.092	-0.082	50	10	BBGE	
CC[C@@H](N)CCOc1nccc(B(O)O)c1F	2217190485	NXCNHTVWMOCHHU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
Cc1nn(C)cc1Oc1cc(B(O)O)ccn1	2217194381	VJZAZRPURYMHNY-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
NNC(=O)COc1ccc(C(N)=O)c(F)c1F	2217309653	ZJDMYJCSIIWCKC-UHFFFAOYSA-N	245.185	-0.568	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1nccc(B(O)O)c1F	2223645325	VPQHCMKADZWDRG-SNVBAGLBSA-N	248.066	-0.252	50	10	BBGE	
Cc1cnc(N2CCOC3(CC3)C2)cc1B(O)O	2223646127	GOFMKPCJGAKRLB-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
N[C@@H]1C[C@H](COc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2223664743	ZGUHBBFXIJXUEJ-GRLWKWRFSA-N	248.091	-0.877	50	10	BBGE	
C#CC[C@@](C)(CO)CNc1ncccc1B(O)O	2223665143	CSQOXLNXTRDQOK-GFCCVEGCSA-N	248.091	-0.805	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@]1(C)CN	2223679854	VMKNKVCXGDGCOZ-CABZTGNLSA-N	249.123	-0.818	50	10	BBGE	
CC1(F)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2241481910	WSQQEIBPRMLXTA-WDSKDSINSA-N	201.006	-0.580	50	10	BBGE	
CN(C)NC(=O)[C@]1(C)CNCC1(F)F	2242463715	UUJDIWQBOODKIV-ZETCQYMHSA-N	207.224	-0.176	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CC2C[C@@H]3C1[C@@H]3C2	2242647220	DMJHGHZMYYKZCW-UUAUARBGSA-N	223.276	-0.521	50	10	BBGE	
C=CCCNC(=O)c1nc(C)sc1B(O)O	2243358477	HSMNMZXDBGSARD-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
CCONC(=O)c1c(Cl)cccc1B(O)O	2243358669	JBESTIGVHWXHHW-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
CC1CC(NC(=O)c2csc(B(O)O)c2)C1	2243362194	NLAKMWFEYDCAHL-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2243390785	BFQUUGKNTGYRDI-FXQIFTODSA-N	225.053	-0.223	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@H]1B(O)O	2243391704	NBRHZYDVBKIGHJ-NKWVEPMBSA-N	223.041	-0.805	50	10	BBGE	
CN(C)[S@](C)(=O)=NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396474	MPTFXPGGNXEJQK-FHNMKBNTSA-N	248.113	-0.660	50	10	BBGE	
O=C(NCCc1nccs1)[C@@H]1C[C@@H]1B(O)O	2243396857	RSAFBYIMMUAGCP-RQJHMYQMSA-N	240.093	-0.335	50	10	BBGE	
C#CCN(CC=C)S(=O)(=O)CC(=C)B(O)O	2243420315	QMUYEAKXDBSELE-UHFFFAOYSA-N	243.093	-0.994	50	10	BBGE	
CONC(=O)c1cc(F)c(B(O)O)cc1Cl	2243478197	VFPIJOCXFITLRM-UHFFFAOYSA-N	247.418	-0.550	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244302642	RGDRJFKOHLZOAZ-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC1CCC1)OC	2245120855	GDBNPVXLABDAER-VIFPVBQESA-N	231.296	-0.345	50	10	BBGE	
COC[C@H](OC[C@]12C[C@H](CO1)C2)C(=O)NN	2245217346	UYCGWACBIJWODU-OYNCUSHFSA-N	230.264	-0.813	50	10	BBGE	
O=C(Nc1ccnnc1)c1coc(B(O)O)c1	2247733949	FBOIKYGTUSITEN-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@H]1C1CC1	2247743059	YHFVJLLEFMISMP-KOLCDFICSA-N	237.064	-0.972	50	10	BBGE	
COCCN(C(=O)C#CB(O)O)[C@H](C)C1CC1	2247744549	USMDCZMHZUZJCI-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1N	2247754319	FIQGFVXFEAFGMX-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
Cc1noc(CCNC(=O)C2(B(O)O)CC2)n1	2247756176	MMJGSSYRVNRCIA-UHFFFAOYSA-N	239.040	-0.956	50	10	BBGE	
CCN(CC(C)C)C(=O)c1cc(B(O)O)n[nH]1	2247783209	AYYNUIYOQZMHKC-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247797716	MJDQCPCVOVTUBK-CIUDSAMLSA-N	241.096	-0.077	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCC(F)(F)[C@@H]2C1	2247846822	MSVLIHCJFZIQOH-HTQZYQBOSA-N	243.018	-0.495	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)oc1C	2247868457	UMXUMVAIIMDNIJ-QMMMGPOBSA-N	237.064	-0.108	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@H]1O)C1(B(O)O)CC1	2247871030	VADZKLOTWICEOR-SFYZADRCSA-N	239.080	-0.587	50	10	BBGE	
CC[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247885188	GYXURYQLULAGMS-NKWVEPMBSA-N	239.084	-0.746	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@@H]12	2247898357	CTQXPHCIINTQHT-HQBQHRAMSA-N	238.096	-0.909	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)C1CC(B(O)O)C1	2248580472	YNXPOEVYRCBAFH-UMULYZNJSA-N	241.052	-0.687	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@H](C)O)C1CCC1	2250546391	SNPLOBXKSNJKHT-WCBMZHEXSA-N	245.323	-0.773	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1cc(B(O)O)co1	2250892018	QAKPDWVJHGQFEB-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
C#CCN(CC#C)c1cc(B(O)O)c(Cl)cn1	2252680443	KNTXGEFPYRPINH-UHFFFAOYSA-N	248.478	-0.512	50	10	BBGE	
O=C(C#CB(O)O)Nc1nc2ccccc2o1	2252771715	KFGKFCGOKBOHIA-UHFFFAOYSA-N	229.988	-0.218	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H]2CCO2)cc1B(O)O	2255513998	BOEFWLILWXRNJY-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@H](C)[C@@H]2C)c1B(O)O	2255573444	MTHNAERQNTYRJC-IUCAKERBSA-N	248.091	-0.450	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1c[nH]nc1B(O)O	2255582522	HOVIQJZFZJTSFY-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
O=C(NC1CCCCC1)c1ccc(B(O)O)cn1	2255717460	KLMBLNHPMBVSSR-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ccncc1B(O)O	2255725017	SZLOXGKBSMBULQ-NSHDSACASA-N	248.091	-0.368	50	10	BBGE	
Cc1cc(C#N)c[nH]c1=NC(=O)[C@@H]1C[C@@H]1B(O)O	2255772192	BKGIUNBKBBYNAI-BDAKNGLRSA-N	245.047	-0.515	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1c[nH]nc1B(O)O	2255792360	GJWAKTOUBCSYCC-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1cccc(C(=O)O)c1	2256912430	SGHQHYFWRRIGDF-UHFFFAOYSA-N	247.015	-0.637	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C(=O)[C@@H]2CCC[C@@H]21	2258126117	CGROBIXKMNXNQB-MUWHJKNJSA-N	249.031	-0.890	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1cc(B(O)O)co1	2258139149	SSQSTVFLHUUGIY-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CO[C@H]1CC(=O)N(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165953	IJZZQCKLHDGCRI-CIUDSAMLSA-N	241.291	-0.750	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369088	IKCZMGUQMZVXPJ-YIZRAAEISA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)O2)[C@H]1C[C@H]1B(O)O	2298375261	BWFPEKAENOSSKN-GENCIFFESA-N	239.080	-0.325	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2NCC[C@@H]21)C1CC(B(O)O)C1	2298376207	NFQQXOOUCLVSLG-ZTYHWHRISA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CNC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298376226	NPDDEKGJGMBEGC-AXTSPUMRSA-N	240.112	-0.789	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298676956	KDQZAYMUPQHJDW-AEJSXWLSSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H]1C[C@@H]2N(C)C)C(=O)NN	2302403490	MALTVUUIOAPDAN-NAKRPEOUSA-N	240.351	-0.363	50	10	BBGE	
CC(C)n1ncnc1[C@H](C)N(C)CC(=O)NN	2303243432	BRXZGUQFSOTBDZ-QMMMGPOBSA-N	240.311	-0.158	50	10	BBGE	
C[C@@H](N)[C@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445954	DOBDOQYKZPXEIF-PSASIEDQSA-N	241.291	-0.473	50	10	BBGE	
C[C@H]1NC[C@@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305447893	RCKNWDJYONRDBX-LDYMZIIASA-N	239.275	-0.848	50	10	BBGE	
N[C@@H]1C[C@@H](COc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614461	PHYVUNBMGSASJA-FTYOSLGDSA-N	248.091	-0.877	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(B(O)O)co1	2313081554	MSXCZTXLWIJVFM-QXFUBDJGSA-N	247.059	-0.346	50	10	BBGE	
C=CCOCCNc1ccc(B(O)O)cc1C#N	2317150655	HUFWIURJNRTFIG-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308262	JCDBCMNWTBSWDQ-JWYUURKGSA-N	249.075	-0.640	50	10	BBGE	
CCC#CC(=O)N(C)Cc1cccc(B(O)O)c1	2319240352	LHWBSVPYCVFTSX-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
O=C(O)c1nnn(CCCl)c1C(=O)O	82288084	MDOABNSUHFOCGA-UHFFFAOYSA-N	219.584	-0.087	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnn(C)c1	82470446	CCUICPYJVXNYDG-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
N#Cc1ncn(CCCCC(=O)NN)n1	82471710	OVEOQWGDAZVHMK-UHFFFAOYSA-N	208.225	-0.690	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC(=O)C1	85085465	ZKULKSZRQMQJLV-BYPYZUCNSA-N	204.613	-0.901	50	10	BBGE	
COc1ccccc1/C=C\C(=O)NCC(=O)NN	101352516	KHOFFXQOBCMTKO-SREVYHEPSA-N	249.270	-0.186	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](C(=O)NN)C(C)C	104106224	PHBIXTGPJAFDIZ-SNVBAGLBSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)n1nnc(-c2ccccc2)n1	105935426	AMJADBPLGXIPIN-SSDOTTSWSA-N	232.247	-0.109	50	10	BBGE	
CN(CC(N)=O)[C@@H](C(=O)NN)c1ccccc1	110574599	PEEAWDITRZIRBH-SNVBAGLBSA-N	236.275	-0.865	50	10	BBGE	
CCC[C@@H](C(=O)NNC(=O)CN(C)C)N(C)C	131862970	WICVDYIULCENJX-VIFPVBQESA-N	244.339	-0.574	50	10	BBGE	
NNC(=O)CCCCC[C@@H]1CNC(=O)N1	205196118	MSWHKOUTOIRSOC-SSDOTTSWSA-N	214.269	-0.392	50	10	BBGE	
COCCCOc1cc(B(O)O)ccc1F	229340858	CJILGDIYMUBOIX-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CCC(=O)N[C@H]1CSC[C@@]1(O)C#N	238214243	ISUGWPJXXGFBFM-XPUUQOCRSA-N	200.263	-0.117	50	10	BBGE	
OB(O)c1cc(-n2ccnc2)ncc1F	238642253	CMYJROCSLJGLIT-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
O=C1CN([C@H]2CCN3CCCC[C@H]23)CC(=O)O1	250885097	WGDOESUKAOZOQI-ZJUUUORDSA-N	238.287	-0.001	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1C	251265019	ZESMCDLSJLZNPZ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC1(C)O[C@@H]2CO[C@@H](CN(N=O)C(N)=O)[C@H]2O1	256005863	VAOQQYFQXZJKNI-RRKCRQDMSA-N	245.235	-0.033	50	10	BBGE	
CN1CCC[C@H]([C@H](N)CC(=O)NN(C)C)C1	259033641	JXXPSFXRFRYWML-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@@H](C)[C@H]1C	300000143	YRNYLCGGDCLCNR-HRDYMLBCSA-N	247.364	-0.183	50	10	BBGE	
CNC(=O)CS[C@@H](C(=O)NN)C(C)C	300816183	LZEURTRREXHPEB-SSDOTTSWSA-N	219.310	-0.520	50	10	BBGE	
CNCC(=O)NNC(=O)Cc1nc(C)cs1	309495340	YEAYQCOYJOYWCW-UHFFFAOYSA-N	242.304	-0.639	50	10	BBGE	
OB(O)c1cccc(OCCN2C[C@H]3C[C@H]3C2)c1	380352598	QHIRPBVGSQDPCN-PHIMTYICSA-N	247.103	-0.303	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1C	380730998	VCKGOAQJLFZAAT-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CN(C)C1[C@@H]2CN(CCCC(=O)NN)C[C@@H]12	384653833	CJXUNCSMLKTOCA-RKDXNWHRSA-N	226.324	-0.752	50	10	BBGE	
C[C@H]1CN(Cc2ccoc2C(=O)NN)C[C@@H]1O	388613502	MQDCUQQRWRBZNN-CBAPKCEASA-N	239.275	-0.304	50	10	BBGE	
O=C1NCN[C@H]2C[C@@H](C(=O)O)[C@H](Cl)C[C@H]12	389673271	YDUGXYUUBQDSDD-UCROKIRRSA-N	232.667	-0.250	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	390806878	LDQHDKPZECLNQR-XKNYDFJKSA-N	209.293	-0.046	50	10	BBGE	
O=C(CCCl)N[C@]1(CO)CCOC1	393898163	BHVPNFBLLUMBQP-QMMMGPOBSA-N	207.657	-0.117	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1C=O	396055919	KYLXUTZHPMBOMG-UHFFFAOYSA-N	206.006	-0.228	50	10	BBGE	
O=C(O)c1cc(O)cc2cc(B(O)O)sc12	396390508	XPIXMVXCWWTFJJ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)Nc1ccc(Cl)cc1B(O)O	405070822	BGMMGHDQEHZLKM-UHFFFAOYSA-N	228.444	-0.229	50	10	BBGE	
CSc1ccc(O)c(F)c1B(O)O	575705028	FDHBQROFHHSMDJ-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)CCC(C)C	586364477	LDZFYQGHQLDAPS-OAHLLOKOSA-N	234.321	-0.052	50	10	BBGE	
C[C@@H](CO)CN(C)[C@@H](C(=O)NN)C(C)(C)C	688406490	XYUGMTBPOBZGTM-BDAKNGLRSA-N	231.340	-0.049	50	10	BBGE	
C[C@@H](O)CN(CC(C)(C)C(=O)NN)C1CC1	692095256	IROKRTOGFGBLII-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H]1CCCN1[C@H](C)C(=O)NN	696548773	LUJLUGWDNCBRID-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC1CN(CCOc2ccc(B(O)O)cc2)C1	698572414	YVVCYPMVMWLJLO-UHFFFAOYSA-N	235.092	-0.303	50	10	BBGE	
CN(N)C(=O)Cn1cnc2sccc2c1=O	704704950	BPDPQZSOXUFMAZ-UHFFFAOYSA-N	238.272	-0.210	50	10	BBGE	
C[C@@H]1CN(CCn2cc(C(=O)NN)nn2)[C@@H]1C	706899283	PVOAFBLZAWTSDZ-HTQZYQBOSA-N	238.295	-0.778	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1C(C)(C)O	707172464	VJNRFLXBDOYAME-VIFPVBQESA-N	243.307	-0.611	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(OCC(F)F)C1	707397728	ZKCSOXSOOYCCCF-YFKPBYRVSA-N	223.223	-0.669	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncnn1C	707410626	BVKQWEWBUPHJGI-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C)(N(C)C)CC1	709869557	LORMHVCCDJMYPA-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
O=C1CCCN1c1cccc(B(O)O)c1	716785082	XNRDLMGBWZCAKV-UHFFFAOYSA-N	205.022	-0.507	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)[C@H](C)C(=O)NN)C1	719807129	NDWWBFXQJOQWNS-RNJXMRFFSA-N	215.297	-0.687	50	10	BBGE	
C[C@@]1(CO)CCCCN1CC(=O)NN	723021528	DYFRVHPEWOZIAT-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C#N)cn1C	751361331	BSGFELHBZNSJND-UHFFFAOYSA-N	235.247	-0.139	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)[C@H]1CCCO1	817213960	PDIVKTRBHQUFMN-HTQZYQBOSA-N	230.264	-0.262	50	10	BBGE	
CO[C@H](C)CC(=O)NNc1nnc(C)n1C	856050765	VDKDNAPHCZLWPN-ZCFIWIBFSA-N	227.268	-0.008	50	10	BBGE	
Cc1cc(C=NNC(=O)c2cn(C)nn2)n(C)n1	1118529224	LLZPYWVQSYBYEY-UHFFFAOYSA-N	247.262	-0.379	50	10	BBGE	
CC(C)C(=O)NNC(=O)C(=O)c1cnn(C)c1	1135735960	UWBZKPGSDWKALO-UHFFFAOYSA-N	238.247	-0.594	50	10	BBGE	
OB(O)c1cccc(F)c1CN1CC(F)(F)C1	1232754946	PAQNEGASWBZJKL-UHFFFAOYSA-N	245.009	-0.044	50	10	BBGE	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(N)=O	1466763284	FFBCDIWHXWSTBU-WGJZWELTSA-N	247.258	-0.683	50	10	BBGE	
Cc1nnc(NNC(=O)c2cccc[n+]2[O-])n1C	1557606547	NCVLWYBVLHGZDU-UHFFFAOYSA-N	248.246	-0.486	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccc(O)nc1	1636447908	MYMMQVYVXFZOAY-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
O=C(NNc1nc2ccccc2[nH]1)C1(O)COC1	1643404118	SUQAUTDUPRNTIN-UHFFFAOYSA-N	248.242	-0.233	50	10	BBGE	
CCn1nncc1C(=O)NNc1ccn(C)n1	1648763100	YYMBFWZKWPRZBY-UHFFFAOYSA-N	235.251	-0.212	50	10	BBGE	
O=C(NNc1ncnc2[nH]cnc12)c1ncc[nH]1	1650831279	MXTALEHXZOROGA-UHFFFAOYSA-N	244.218	-0.167	50	10	BBGE	
CN(C)NC(=O)c1nn(C)cc1S	1882519275	SFEKBMOXFZXTLR-UHFFFAOYSA-N	200.267	-0.085	50	10	BBGE	
O=C(F)NCCNS(=O)(=O)C(F)F	1882788265	VPEBEUSIUTZERG-UHFFFAOYSA-N	220.172	-0.193	50	10	BBGE	
NC(=O)C1(OC[C@H]2C[C@@H]2Br)CNC1	1883558715	TXNHWLSVJSDEOS-RITPCOANSA-N	249.108	-0.386	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H]1CO	1883626779	LBETXQDYCIINMK-ZCFIWIBFSA-N	203.625	-0.099	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCC[C@@H](C)O	1886909841	XGFAUAQRMQUUJH-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
N[C@H](CNC(=O)C1CC(Cl)C1)C(=O)O	1893482417	UOGXZSKSNVTFPX-JMMWHDCWSA-N	220.656	-0.468	50	10	BBGE	
NS(=O)(=O)c1n[nH]c(C2CC(Cl)C2)n1	1893490067	ACVZVAKPPSSGEU-UHFFFAOYSA-N	236.684	-0.063	50	10	BBGE	
NCc1c[nH][nH]c1=NC(=O)[C@@H]1C[C@@H]1Cl	1893660861	DOTHQTPCKKPQOY-RITPCOANSA-N	214.656	-0.144	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cnsc1B(O)O	1900475609	WUNCUJGRSURLHK-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
CN(NC(=O)[C@H]1CC[C@H](N)CC1)S(C)(=O)=O	1901340109	YVNNJMAEGOSGOX-ZKCHVHJHSA-N	249.336	-0.574	50	10	BBGE	
CCNCC(=O)NN(C)S(=O)(=O)C1CCC1	1901348222	DXRJAKBAPUCDPG-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CN(NC(=O)c1ccc(N)cc1)S(C)(=O)=O	1901373402	KKJHHMDEOHAVFG-UHFFFAOYSA-N	243.288	-0.195	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@@H]2C[C@H]21)B(O)O	1901612021	WYLNNKPWJFFCHC-GHMZBOCLSA-N	224.113	-0.277	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@@H]2C[C@@H]21)B(O)O	1901612023	WYLNNKPWJFFCHC-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC=C[C@H]1CO	1901765118	UTJOFAGRQXBXOR-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
CCN(CC)C(=O)CN1CC[C@@H](B(O)O)C1	1902506711	WRMAPWCNCIEHBC-SECBINFHSA-N	228.101	-0.597	50	10	BBGE	
CCNC(=O)[C@H](C)N1CC[C@](C)(B(O)O)C1	1902528931	KKZHHGZGNSRIQH-WPRPVWTQSA-N	228.101	-0.550	50	10	BBGE	
O=C1CN(C[C@@H]2[C@H]3CCO[C@@H]23)CC(=O)O1	1909461325	BSZPXHUCXAZNSR-BRDIYROLSA-N	211.217	-0.593	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)C12CCC2	1914398813	OEBWVBBKDDIKLE-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CC2)C1	1914551097	OIFSPXDVKVUKGZ-UHFFFAOYSA-N	217.077	-0.038	50	10	BBGE	
C[C@H](Cl)[C@H](C)NC(=O)Cn1cnnn1	1928696484	NZMCWFYKIKINNZ-WDSKDSINSA-N	217.660	-0.195	50	10	BBGE	
CN(C[C@H](Cl)C(=O)O)C1CS(=O)(=O)C1	1932011776	MYDGAYUAPZXUEK-LURJTMIESA-N	241.696	-0.593	50	10	BBGE	
COCC1(C(=O)NNC(N)=S)CCC1	1935505086	YNSATCASAJQLDS-UHFFFAOYSA-N	217.294	-0.333	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H]1C[C@H]1C	1936527373	AJXHOVXGLOQHIM-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](CCC(=O)NN)OCCO[C@@H]1CCOC1	1940244646	GJEYVARRJABCTP-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
CC(C)(C)C(=O)NCCCC(=O)NNCCO	1944214152	RSILEKCTFOMKCO-UHFFFAOYSA-N	245.323	-0.458	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC=CCO2)C1	1946044078	NLFPZMZKAAAYHB-VHSXEESVSA-N	237.303	-0.357	50	10	BBGE	
CN(CCn1cncn1)C(=O)CCl	1953977547	QHPWKXJDZQBBOF-UHFFFAOYSA-N	202.645	-0.025	50	10	BBGE	
CC1(C)[C@@H]([C@@H](N)[C@@H](O)C#N)CCS1(=O)=O	1959170433	WAHLKUHNTSCRPS-GJMOJQLCSA-N	232.305	-0.589	50	10	BBGE	
NCCOCCSC[C@@H]1C[C@@H]1C(=O)NN	1961087050	MDNGPTITGDWICA-YUMQZZPRSA-N	233.337	-0.679	50	10	BBGE	
Cc1nc(Cl)ccc1C(=O)NCB(O)O	1975154419	PPJDZEJSCSKHGV-UHFFFAOYSA-N	228.444	-0.215	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1nc(B(O)O)cs1	1975166720	WNSQALGCGLRZLT-BYPYZUCNSA-N	236.052	-0.087	50	10	BBGE	
CCCc1noc(CN(C)CC(=O)NN)n1	1976747753	NUAPNZZFEUBZHI-UHFFFAOYSA-N	227.268	-0.556	50	10	BBGE	
COC1(CN2CCC(O)(C#N)CC2)CNC1	1978635093	UJCKXZRIINDRIE-UHFFFAOYSA-N	225.292	-0.675	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	1980825936	NVNCSILHSWBLSU-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC1(C)C[C@H](CO)CN(CCC(=O)NN)C1	1981411533	LGBHTMLSFKFXLR-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1c1nc(B(O)O)cs1	1981468742	HUOGGMOWRKWYHJ-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
CO[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	1982346588	XQOOLUHPZKYQQY-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	1984029986	AMDDYZQLFTVWAZ-QCLAVDOMSA-N	227.308	-0.544	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)O2	1985270211	NTKUPIZFHPQEIR-WHUPJOBBSA-N	227.264	-0.950	50	10	BBGE	
O=C(NNCCO)C(F)(F)C1CCOCC1	1986794331	DILUKPYGVNWAJT-UHFFFAOYSA-N	238.234	-0.339	50	10	BBGE	
CCOC12CC(C1)N(C[C@H](C)C(=O)NN)C2	1986826964	MGROHDQPFAHFEG-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(CN1C[C@H]2COCC[C@H]21)C(=O)NN	1989936770	SPGHRYYXKMRWPJ-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12CCOC[C@H]1C2	1991328829	GQKLDWPFEFQSKM-SCZZXKLOSA-N	225.053	-0.903	50	10	BBGE	
NNC(=O)CCCCN1C(=O)CCNC1=O	1995068474	BOSBQDPBNOMCOG-UHFFFAOYSA-N	228.252	-0.912	50	10	BBGE	
COCCCC(=O)Nc1ccc(B(O)O)cn1	1996646038	AELQDFHSGJYKSG-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](C(=O)O)OC(C)(C)C1	1998055571	ASNJXRQPFLSQMA-SSDOTTSWSA-N	245.279	-0.263	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)OCC1(C)C	2002289716	GOOMDKXCOYICGB-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
COC1(COc2cnc(C)c(B(O)O)c2)CC1	2002518409	BRQDQBAFUPPXBB-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CC(C)(CN1C[C@@H]2OCC[C@H]2C1=O)C(=O)NN	2004648941	FBWIXHLFQLVACK-SFYZADRCSA-N	241.291	-0.750	50	10	BBGE	
C[C@H]1C[C@@H](N(C)c2ccc(B(O)O)cn2)CO1	2004916490	MATOOZGXGAYCQA-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@@H]3C2)c1B(O)O	2004974530	LOFJODGLAFHHRL-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
CON(c1cc(C)c(B(O)O)cn1)C1CCC1	2005014220	IKIFLEJXAXTVRJ-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
Cc1nc(N2CCCOCC2)ccc1B(O)O	2005018358	SFPWCOCUTSIRGK-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CO[C@@]2(CCOC2)C1	2009142876	JOIRXSCNSAXSJZ-YWVKMMECSA-N	243.307	-0.755	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC(CO)C2)C1	2013607884	FZTPWDRNRLIDRP-JTQLQIEISA-N	241.335	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1COCC1(F)F	2020351290	KTIYEXOZLWEPKE-SSDOTTSWSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)COCCO[C@H]1COC2(CCC2)C1	2020645795	JHMHIERDUOPRTO-SECBINFHSA-N	244.291	-0.279	50	10	BBGE	
O=C(NCC#CB(O)O)c1c(O)cccc1F	2021164487	IBJSNMGQUQSIAZ-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
Cc1cccnc1CC(=O)NCC#CB(O)O	2021165034	PJWRQHGTGPNBJO-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@]23CCCOC3)c1	2021312660	QIQFRPJNNWBYKQ-MWLCHTKSSA-N	236.080	-0.620	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@]12CC[C@@H]1C2	2039754926	IJCCNOKRVBXJFM-MFKMUULPSA-N	245.087	-0.217	50	10	BBGE	
CN(C[C@H]1CCCN1C)c1ncccc1B(O)O	2052491642	MEYJXKLATNDBTO-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)n1	2053734160	CXZWIWPWLZXAHM-UXCLJVHYSA-N	244.103	-0.086	50	10	BBGE	
C[C@@H](CN1CC(O)(c2ccccc2)C1)C(=O)NN	2057647032	AQCONDREDZFQMD-JTQLQIEISA-N	249.314	-0.184	50	10	BBGE	
CCc1cc(B(O)O)cc([N+](=O)[O-])c1F	2060083797	DXASLQYUSJKCPF-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NNC(N)=S)O1	2209648157	VIWPFVIXZYODFB-WDSKDSINSA-N	217.294	-0.192	50	10	BBGE	
OB(O)c1csc(Cn2ccnc2)c1	2209685458	DDDIPYWZAXQCFP-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1CC(O)C1	2211827638	KMPIAKBZPSIYQR-WOOKNIGNSA-N	227.308	-0.542	50	10	BBGE	
CN(CCC(=O)NN)CC1(F)CCOCC1	2212154188	UTNVWSRZXIBWRF-UHFFFAOYSA-N	233.287	-0.183	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](O)C2)CCC1	2212263514	VVBUIKHEBGKRIZ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
NCCCSCC1(C(=O)NN)CCOCC1	2212444299	GVWTVACXUKGUCO-UHFFFAOYSA-N	247.364	-0.145	50	10	BBGE	
OB(O)c1ccnc(N2CC(C3CC3)C2)c1	2212604169	MWLYWXMSLIRBDE-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@H]21	2213697637	WEVVPUYOAQJXOY-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1cccc(CN2N[C@H]3CC[C@H]2C3)c1	2214602552	QLKZLYCFFMMEHY-RYUDHWBXSA-N	232.092	-0.392	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@H]1CC[C@@H]1C(=O)NN	2215771514	INJZRQQDZCGROP-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
CCN(CCOC)c1nccc(B(O)O)c1F	2217180617	IOSITKHOQCLBKQ-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1c1ccc(B(O)O)cn1	2217185005	XOFRHITVEHYFTG-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@](N)(COc1ccc(B(O)O)cn1)C1CC1	2217191003	IBJJONAADHDCHE-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(OCCn2cccn2)c1	2217192213	XCSWQITXFYTTAL-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCCNC2)c1	2217192236	GWKOSRNZFAMEAP-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCNC2)c1F	2217194760	CIJLSCFAVDXMJB-ZETCQYMHSA-N	240.043	-0.969	50	10	BBGE	
C#CCN(CC(F)F)c1ncccc1B(O)O	2217198087	WHTQEYACCPSMAK-UHFFFAOYSA-N	240.018	-0.534	50	10	BBGE	
C#CCN(CC#CC)c1cc(B(O)O)c(C)cn1	2223651642	DJQTWLVTVJHLQV-UHFFFAOYSA-N	242.087	-0.467	50	10	BBGE	
Cc1cnc(N2C[C@@H](N)C[C@@H](C)C2)cc1B(O)O	2223653711	UNXJAFHDNGFRDS-SCZZXKLOSA-N	249.123	-0.757	50	10	BBGE	
C[C@]12CO[C@](CNc3ncccc3B(O)O)(C1)C2	2223672524	BEYGOLVMIDUFNZ-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
C=C(Cl)CNC(=O)C1(B(O)O)CC1	2241473254	GLIYLJDGJKPNAU-UHFFFAOYSA-N	203.434	-0.138	50	10	BBGE	
CONC(=O)c1cc(C)c(B(O)O)s1	2241474183	YEVVXEHPLILHHF-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
COC[C@@H](O[C@H](C)C(F)F)C(=O)NN	2241797796	LIGNVPMNXRCUGJ-RFZPGFLSSA-N	212.196	-0.339	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2242756975	HHSMHYQHTSQIJP-XSPKLOCKSA-N	249.694	-0.399	50	10	BBGE	
C=CCCCNC(=O)c1nscc1B(O)O	2243346557	AKJFYXZJKRIFRI-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC(CF)C1	2243359989	ZGNKPPKKCBFNMY-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@H]2C[C@H]2C1	2243362155	NBBPTAKQLKMAEB-KXUCPTDWSA-N	221.065	-0.351	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CN)CCC1	2243396286	KGOCYPZIXGPKHM-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
C[C@H](CCN)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397347	ZIDVOSDHNPLMEC-IWSPIJDZSA-N	228.101	-0.565	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@@H](C)C1)B(O)O	2243412933	WIUBIYXVLOLELA-VXNVDRBHSA-N	247.125	-0.337	50	10	BBGE	
CC(C)S(=O)(=O)NC(=O)C1(B(O)O)CCC1	2243758928	NQEZZMAFRIWXJQ-UHFFFAOYSA-N	249.097	-0.762	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244303506	WDDCGECPPDZOTK-WYOJIJJFSA-N	227.308	-0.542	50	10	BBGE	
CN(C[C@H]1OCCC1(C)C)C(=O)C#CB(O)O	2247741438	ZRJQGAOACZAKTP-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
CC(C)c1cc(CNC(=O)C#CB(O)O)[nH]n1	2247743018	XRSOGGSWPKQPJS-UHFFFAOYSA-N	235.052	-0.835	50	10	BBGE	
Cc1ccc(C(=O)NOCCF)c(B(O)O)c1	2247751990	GOVOOVCOQHYHES-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@H](C1)N2)C1(B(O)O)CCC1	2247753943	BFFVKIRHWJCXHJ-DTORHVGOSA-N	238.096	-0.654	50	10	BBGE	
CCC(C)(C)CNC(=O)c1cc(B(O)O)n[nH]1	2247783682	JGDIBBQZJRMFAC-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787838	VPIIOVLQUVSOQL-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247798846	XRXUAOMYCIYKMF-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](CO)C1)C1CC(B(O)O)C1	2247799198	ARBMBNJQEHLQBR-SEZDTBSWSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2247803526	BNPVCIUCHBTBML-SGIHWFKDSA-N	239.080	-0.467	50	10	BBGE	
CN(Cc1cn(C)cn1)C(=O)[C@H]1C[C@H]1B(O)O	2247809617	QEIWQAJWABRLFH-DTWKUNHWSA-N	237.068	-0.759	50	10	BBGE	
CN(CC1CC(C2CC2)C1)C(=O)C#CB(O)O	2247848606	OBQPGXOQZVNSBR-UHFFFAOYSA-N	235.092	-0.104	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CNC[C@H]21)C1(B(O)O)CC1	2247854971	LKMWXAQYPMTUIW-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
N#CC[C@@H](NC(=O)C1(B(O)O)CC1)C(F)(F)F	2247875453	YUYJGZORJOZVLI-RXMQYKEDSA-N	249.985	-0.046	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885196	HDLCOQBBPOSZPD-GMSGAONNSA-N	237.068	-0.992	50	10	BBGE	
CCCNC(=O)c1cc(C)cc(B(O)O)c1F	2247891481	JQRFOFUZZBKWJB-UHFFFAOYSA-N	239.055	-0.046	50	10	BBGE	
CCC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248573817	JVQKFKKHGBZJEC-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C(=O)O	2248578774	SGIPLUHJTHRQMT-RITPCOANSA-N	241.052	-0.781	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCc2ccccc2C1	2255466669	BWBRBUPAZRICHK-GFCCVEGCSA-N	243.071	-0.325	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1ccc(B(O)O)o1	2255467073	IIOQACOLXFFPHH-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
CC1=CCCC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255552673	OFVUKBXPMFQVHF-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
O=C(Nc1ccc2nncn2c1)[C@H]1C[C@@H]1B(O)O	2255570955	KVVTTZLWABUHBW-YUMQZZPRSA-N	246.035	-0.469	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1cncc(B(O)O)c1	2255713554	CPXSJSQJJUJLMC-JTQLQIEISA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1occc1B(O)O	2255740744	FIOGLAKYYLJCPL-WPRPVWTQSA-N	249.075	-0.122	50	10	BBGE	
C#CCC(=O)N1CCCc2cc(B(O)O)ccc21	2256601860	UVGRNTJMEMZEFH-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1ccoc1B(O)O	2257068664	YTWMFTYGNATBDL-VXNVDRBHSA-N	249.075	-0.170	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ccccc2C[C@@H]1CO	2264320824	YCHSHGSTUMZDDT-JOYOIKCWSA-N	249.314	-0.216	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2298368787	YCDCAKSPPKWBHK-SVSWQMSJSA-N	239.080	-0.467	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@H]1O2	2298633737	FGCPYAXASLHHAA-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
CN1CC[C@@H]1COCc1cc(C(=O)NN)no1	2299036238	WLVBNCXRGWMMCB-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC(F)(CO)C1	2300367145	GIDVNZACOALYDK-RKDXNWHRSA-N	245.298	-0.591	50	10	BBGE	
COC[C@H](OC[C@H]1CCC[C@H](C)O1)C(=O)NN	2301072482	YFKRJSVELROQMI-AEJSXWLSSA-N	246.307	-0.035	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCOC1	2301345752	JMHOCXCHFRUDIO-JTQLQIEISA-N	232.048	-0.561	50	10	BBGE	
Cc1cc(N(CCF)CCF)ncc1B(O)O	2301660035	NHJRXLZMOOKOMQ-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
CC[C@](C)(CN1CCC[C@H]1C(N)=O)C(=O)NN	2303424954	XHXFMEVIPVCVCL-GZMMTYOYSA-N	242.323	-0.658	50	10	BBGE	
CC1(C)C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847028	BJQHOLIJYDJGBH-SSDOTTSWSA-N	238.071	-0.220	50	10	BBGE	
OC[C@H]1[C@@H]2C[C@H]1N(Cc1cccc(B(O)O)c1)C2	2312409407	YULCPOIVFWTZBC-KGYLQXTDSA-N	247.103	-0.821	50	10	BBGE	
O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C[C@H]1B(O)O	2312852159	HYMDPSUKDLEKQO-GMTAPVOTSA-N	249.075	-0.301	50	10	BBGE	
Cn1cc(Nc2ccc(C=O)c(B(O)O)c2)cn1	2317310857	HFACLSIPPHLGNA-UHFFFAOYSA-N	245.047	-0.344	50	10	BBGE	
NNC(=O)COCC(=O)Nc1cccc(O)c1	58845621	NUKDZPHRDAJIID-UHFFFAOYSA-N	239.231	-0.663	50	10	BBGE	
COCC1CCN(C[C@@H](C)C(=O)NN)CC1	69632757	XZMKRLXYVUMOGX-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)c1ccccc1CN1C(=O)CNC1=O	70154047	WKKOJEKLFRWDHF-UHFFFAOYSA-N	248.242	-0.658	50	10	BBGE	
N#CCN(CC#N)S(=O)(=O)CCl	82511990	OKZJSRCHXVRTEB-UHFFFAOYSA-N	207.642	-0.138	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@H]2C[C@H]2C1=O	82924168	HGRWEBUUNKSLLB-KNVOCYPGSA-N	225.248	-0.849	50	10	BBGE	
CN(CCC#N)CC(=O)NNC(=O)C1CCC1	83218321	WPLROOZUWKADLC-UHFFFAOYSA-N	238.291	-0.221	50	10	BBGE	
O=CC1=CC=C(C(=O)O)N[C@H](C(=O)O)C1	85588278	SRDYVCBFNUJKKW-ZETCQYMHSA-N	211.173	-0.473	50	10	BBGE	
CC(=O)N1CCCN([C@H](C)CC(=O)NN)CC1	104115329	CEIWDYYFANRUHK-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@@H]1C(N)=O	110589966	UTWXFYFSYJKBPV-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
CC1(C)[C@H]2C(=O)N(CCC(=O)NN)C(=O)[C@@H]21	113667775	BPTBTLCNVMSCSM-RNFRBKRXSA-N	225.248	-0.993	50	10	BBGE	
CC(=O)NNC(=O)Nc1cnc(N(C)C)nc1	119173224	PCQRZCYOVOVRCV-UHFFFAOYSA-N	238.251	-0.285	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCOC1)C(=O)NN	134791316	ZENDWYHNQXXTRT-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
O=C1[C@@H]2C[C@H]2C(=O)N1C[C@H](O)CCl	157842109	LRSQFWXIVJLARJ-HSUXUTPPSA-N	203.625	-0.409	50	10	BBGE	
N#C[C@H]1CN(C[C@H](O)CCl)CCO1	158030693	QALZDMSEUMJYIA-SFYZADRCSA-N	204.657	-0.190	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CCS1	159270804	LPJRTVSPNAWJGS-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
CNCC(=O)NNC(=O)c1cccn1C	193127096	VNAVFJNBOSHUOI-UHFFFAOYSA-N	210.237	-0.995	50	10	BBGE	
COc1cc2ncccc2cc1B(O)O	218213771	CCXQEXIGOKVKQR-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCNS(C)(=O)=O	218342468	KQVOBHSWQPIOKK-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
NC[C@@H](O)[C@@H](CC(=O)NN)c1ccccc1	231495169	FYSGLODIWKGJFM-VHSXEESVSA-N	223.276	-0.530	50	10	BBGE	
C[C@@H](Cl)c1nnc(N2C[C@H](O)[C@H](O)C2)o1	235150076	CEVCYDDVFIFUSS-PBXRRBTRSA-N	233.655	-0.089	50	10	BBGE	
N#CCN(CC#N)Cc1cccc(C(=O)NN)n1	236181122	ZYELDYGUDFBHKH-UHFFFAOYSA-N	244.258	-0.466	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NNC(=O)OC(C)(C)C	238485039	DYPBFFCYHXXAFR-WDSKDSINSA-N	233.268	-0.750	50	10	BBGE	
O=C(NC(CO)CO)C(Cl)Cl	238692137	UUNGBBYYZOMGGT-UHFFFAOYSA-N	202.037	-0.741	50	10	BBGE	
O=C(F)[C@@H]1C[C@H](O)CN1C(=O)CCl	238707626	FNTAOADEPLGZID-WHFBIAKZSA-N	209.604	-0.317	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252634137	DNNOMKTYSUNAHT-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@](C)(O)C1	253063158	GKZPFCHHYIOPJA-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@@H]2CC[C@H]2O)[nH]1	378731436	KZHVXAFUWJKFRA-KVQBGUIXSA-N	243.698	-0.059	50	10	BBGE	
N#Cc1cnn(Cc2ccoc2C(=O)NN)c1	383413423	VILFRMFKEFZPBI-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
C[C@@H](O)CN(C)Cc1nc(C(=O)NN)co1	386636976	HWBNQIWGKGXRLY-ZCFIWIBFSA-N	228.252	-0.909	50	10	BBGE	
CC(=NNC(=O)CO)c1c(C)nsc1N	389715377	NPZWKZWAZXONJM-UHFFFAOYSA-N	228.277	-0.134	50	10	BBGE	
O=C(CCCl)c1ccc(O)c(B(O)O)c1	396027200	XSPPOKNMXPBFQE-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
N#CCc1cccc(B(O)O)c1CCC=O	396136097	HJCQNNCQXWWZKM-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
C[C@@H]1CC[C@H](CN2CC(=O)OC(=O)C2)O1	398162424	IQYVFZHGJFNVEJ-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)[C@H](C)C(=O)NN	399981006	OBKWZSLLSJSQBP-KBEMCWPLSA-N	221.326	-0.936	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1cccnc1	404945684	NWCFPQKEVFWXQP-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@]1(C)COCCN1[C@H](COC)C(=O)NN	687850110	XSLYEMQVBCVZHK-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CCc1ccc(Cn2cc(B(O)O)cn2)nc1	694550205	XYCBIDBPGPKCHJ-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@@]1(C)CO	694663845	XSCUOKSARKNIDN-SCZZXKLOSA-N	215.297	-0.683	50	10	BBGE	
CN(N)C(=O)CS[C@H]1CCS(=O)(=O)C1	704673214	QZWISQHANWJFOJ-LURJTMIESA-N	238.334	-0.761	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)Cc1nn[nH]n1	706797503	SPQMFTWOOMFKJM-BYPYZUCNSA-N	203.633	-0.215	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCCNCC1	710015780	HJELVGMPQZOURE-JTQLQIEISA-N	228.340	-0.314	50	10	BBGE	
CO[C@@H](C)C(=O)N1CCc2cc(B(O)O)ccc21	712201608	HGMUIQYQZLLANO-QMMMGPOBSA-N	249.075	-0.710	50	10	BBGE	
C[S@@](=O)N1CCc2c(B(O)O)cccc21	712220079	UEQSTCQTVTXHOW-OAHLLOKOSA-N	225.078	-0.978	50	10	BBGE	
O=C(CC1CC1)NCc1cnc(B(O)O)s1	718807936	KSXGECKKHBTWHI-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
CN(CCCl)[S@@+]([O])(=O)c1c[n+](C)n[nH]1	725702755	FBXRGHHYVOXQGN-UHFFFAOYSA-O	239.708	-0.476	50	10	BBGE	
COCCN(C)NC(=O)C1(OC)CC1	843881528	AMAKUYOERZDZKE-UHFFFAOYSA-N	202.254	-0.225	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)CO)C1CCCCC1	857170407	OTEURSQSAUEYKC-SNVBAGLBSA-N	244.291	-0.279	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccsc1=O	886005318	KNDZTFCYKYLAPJ-WDSKDSINSA-N	213.262	-0.464	50	10	BBGE	
COC[C@H]1C[C@@H](NCc2ccccc2B(O)O)C1	895622991	MNTZDYUHVXAFQM-KLPPZKSPSA-N	249.119	-0.119	50	10	BBGE	
C=CC[C@@H](NNC(=O)COCC)C(=O)OC	905758138	BSGYTRLFBCZYLN-MRVPVSSYSA-N	230.264	-0.239	50	10	BBGE	
O=C(NNC(=O)C1(O)COC1)c1ccccc1	1135578260	VRQMBSUAMSDXRA-UHFFFAOYSA-N	236.227	-0.791	50	10	BBGE	
C[C@@H]1OC(=O)N[C@H]1C(=O)NN=c1cc[nH]cc1	1296236546	GVSMBGRQXZJTTF-POYBYMJQSA-N	236.231	-0.557	50	10	BBGE	
CCc1ncoc1C(=O)NN(C)C(N)=O	1596554185	CFACBBUNLVNNLJ-UHFFFAOYSA-N	212.209	-0.108	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H](O)C1CCC1	1625911864	FOPIGHVKUZNGKD-SSDOTTSWSA-N	215.253	-0.550	50	10	BBGE	
NC(=O)CNC(=O)[C@H]1C[C@H](Br)C1	1881367673	YAODPWLLMYKADM-URHBZAFASA-N	235.081	-0.239	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C(=O)F	1887173241	JNHZMUULNBRCIB-UHFFFAOYSA-N	217.030	-0.051	50	10	BBGE	
C[C@H](CO)N(C)CC1(C(=O)NN)CC1	1888441213	PJQMRZYKSLEPEP-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CN(NC(=O)C(C)(C)S)S(C)(=O)=O	1888570966	AOQMRKYOFWZWDS-UHFFFAOYSA-N	226.323	-0.383	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@@H]2Cl)[nH]c1=N	1892905901	WNEWVDCRLOEHMT-WHFBIAKZSA-N	201.661	-0.311	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	1900161118	DVXRLGXPSIWMPB-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1CNC[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901375357	KQQCFVAWDOWOJT-SFYZADRCSA-N	249.336	-0.845	50	10	BBGE	
C=CC[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1903159251	XCNFKFGJHDHYAZ-RNFRBKRXSA-N	229.041	-0.759	50	10	BBGE	
CCc1nn([C@H](C)CC(=O)NN)c(=O)n1CC	1905551761	RFBUSISSQCALFK-SSDOTTSWSA-N	241.295	-0.432	50	10	BBGE	
Cc1ccnc(N2CCO[C@@H]3C[C@@H]32)c1B(O)O	1907072429	KEPFCLLPHLTSQJ-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN=S1(=O)CCCC1	1913854863	PJSVSIFLVJOHBS-YUMQZZPRSA-N	231.321	-0.126	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H](O)C1CCC1	1923223530	SEIDGXHLRNYRIA-RXMQYKEDSA-N	240.181	-0.143	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)[C@@H]1C	1928179248	NYSDTJLONQVHCM-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1CC[C@@H]1C1CCOCC1	1928226646	MZAHXTTWADFUDE-SECBINFHSA-N	213.281	-0.523	50	10	BBGE	
CCN(C[C@H]1CC[C@@H](C(=O)NN)O1)OC	1928675628	SIXUKCGJDXGLTP-SFYZADRCSA-N	217.269	-0.593	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H](O)[C@H]2C1	1931419505	MOTNFBNZNNFKIR-FXQIFTODSA-N	239.724	-0.132	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](C1)C2(F)F	1931857437	HDMNGGPEVPDFHL-QYNIQEEDSA-N	219.235	-0.048	50	10	BBGE	
CO[C@H]1CCO[C@@H](CNC(=O)NN)C1	1933445724	PFFQINJSKLZDBX-NKWVEPMBSA-N	203.242	-0.647	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1934049754	PHHATSFRLVCSQH-HXFLIBJXSA-N	213.281	-0.648	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1934333957	PJSIVHZDJDMRSU-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
C[C@H]1CCO[C@H]1CC(=O)NNC(N)=S	1935365635	SIJRAGSDWDJEAV-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
CO[C@@H]1CC[C@H]2CN(CCC(=O)NN)C[C@H]21	1935841105	ZUVCRUSQBATOCA-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@]2(CO)C1)C(=O)NN	1937054531	RGIZPIFRRGWVNH-LDYMZIIASA-N	227.308	-0.683	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](N1CC(=O)OC(=O)C1)C2	1939197662	MNFCLIFIFDJAQU-WHGOUJPWSA-N	225.244	-0.061	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1940525668	SYHNLPBHIVRCKF-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
CN(C)C1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941086683	JRRUMFWJKAFTGP-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCCOCC1	1941737552	WUMLDKMFMYYBQX-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946396821	KNQVBHAWCBPZHE-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@H]1[C@H](CO)C2	1951027527	VNENWVOBRKPOJU-FXQIFTODSA-N	249.261	-0.543	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)CCl	1951637925	BDKYYCGHRDFXBN-BQBZGAKWSA-N	243.712	-0.865	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@H](N)[C@@H](O)C#N	1952950818	PACVQAZJIOBJNB-NTSWFWBYSA-N	211.181	-0.787	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1cnn[nH]1	1953965651	VCQKCWPWRPHGQP-BYPYZUCNSA-N	224.673	-0.019	50	10	BBGE	
NNC(=O)CCN1CCC12CC(CO)C2	1958790776	JPHSCELWULXMPD-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	1958797063	GRCZGRKMFAZADO-LYFYHCNISA-N	234.683	-0.549	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]1C(F)F	1961505260	GUHGATQJCHOHHT-QYNIQEEDSA-N	219.235	-0.048	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C[C@@H]2C)n1	1961686167	BGGORTGLVUXQLB-XNCJUZBTSA-N	208.026	-0.748	50	10	BBGE	
O=C1CC[C@@H](NC(=O)C2CC(Cl)C2)C(=O)N1	1969827376	NFUQQGPRKFFLJH-KPGICGJXSA-N	244.678	-0.075	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cn(C)cn1	1976740672	YJYNLUUBDNISRG-SECBINFHSA-N	225.296	-0.380	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1979546870	BTYMUXJZUYPMRJ-DTWKUNHWSA-N	233.287	-0.737	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@H]2C[C@H]21	1980229626	URUQJJVDHBKVIR-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](CN)SCc1nn(C)cc1C(=O)NN	1980592125	FZEXFSVGIQFCTF-ZCFIWIBFSA-N	243.336	-0.396	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)c1cnn(C)c1	1980917638	SBDWSDWGIRTJIA-VIFPVBQESA-N	225.296	-0.129	50	10	BBGE	
COCCCOc1ccc(B(O)O)c(C)n1	1981423444	DNWQDGBXXBPEQU-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
C[C@H](CN(C)C[C@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982259884	DYVXBQJDIJXCQI-KYXWUPHJSA-N	227.308	-0.563	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C=CS(=O)(=O)C=C1	1983342622	WDBPRPJDAIZBHA-YUMQZZPRSA-N	243.288	-0.715	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)C[C@H](F)C1	1985767271	MFANIDWYOUPFJA-RYPBNFRJSA-N	233.262	-0.006	50	10	BBGE	
N#C[C@H](Cl)CN1CC(=O)N2CCOC[C@@H]2C1	1986928867	AZNPEVPRXBATSG-IUCAKERBSA-N	243.694	-0.340	50	10	BBGE	
O=C(OCCl)N1CC(=O)N2CCOC[C@@H]2C1	1986929737	XLNQSWRMXCPRFO-ZETCQYMHSA-N	248.666	-0.138	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C[S@](C)=O)C1	1987038857	UZBKRHQHUJZBNM-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
Cc1ncncc1C(=O)NCC=CB(O)O	1991328319	SXMPIKIJZRRNNH-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
CC1(C)C[C@H](C(=O)NCC=CB(O)O)CO1	1991336782	KNOOTLKSGANKMC-QMMMGPOBSA-N	227.069	-0.514	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1Cl	1991678524	GKEYGSMGXSQCLJ-BDAKNGLRSA-N	239.467	-0.068	50	10	BBGE	
NC(=O)COC1CN(C(=O)/C=C/C(=O)Cl)C1	1991703834	LIMOEEKQUWWLBV-OWOJBTEDSA-N	246.650	-0.979	50	10	BBGE	
OB(O)c1cc(Cl)cnc1-n1cc(F)cn1	1992089268	KTLYMJBCJJRKHD-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
OB(O)c1ccccc1COCC1COC1	1993170638	QAQLCPIUUPRTOS-UHFFFAOYSA-N	222.049	-0.471	50	10	BBGE	
C[C@@H]1CCN1C[C@]12C[C@](C(=O)NN)(CO1)C2	1993891144	NCJMROWTUYWSLC-FBIMIBRVSA-N	225.292	-0.380	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1c1ncon1	1997753290	XVSXLQLACJVJNG-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]2OCC[C@@H]2O1	1999558861	QWPNWNLMDRVBLV-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999849045	WZHRDGMFFYTTES-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([C@H](F)CO)C1	2001908667	DMLDVSXISOEMLF-NXEZZACHSA-N	247.314	-0.347	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1CCO	2004907461	RWQYOSMEGOEBIX-MXWKQRLJSA-N	243.351	-0.047	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1COC[C@@H]1C	2004933566	JHQBBXNJJMFBLP-WCBMZHEXSA-N	237.064	-0.516	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2C[C@@]2(O)C1	2008872059	ZGBISGCRGTUPPH-IONNQARKSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)CCN1C[C@H]2COCC[C@@H]2CC1=O	2013041717	KZSVBVWHUQUERS-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1C[C@H](C)C(=O)NN	2014047271	ZWQVKDHEIAJPQA-YUMQZZPRSA-N	244.295	-0.957	50	10	BBGE	
C[C@]1(Oc2ncc(F)cc2B(O)O)CCOC1	2014930613	XDAKCWZSLZCIIU-JTQLQIEISA-N	241.027	-0.542	50	10	BBGE	
CC(C)(CN1C[C@H]2COC[C@@H](C2)C1)C(=O)NN	2015195422	URKNWZGAFDKRQB-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
CN(C[C@H]1CCC[C@H](C(=O)NN)O1)C1COC1	2018243064	PHCKXUSPCLZIGQ-NXEZZACHSA-N	243.307	-0.755	50	10	BBGE	
Cc1cc(C)nc(C(=O)NCC=CB(O)O)c1	2020057230	AJCIKKCISQABCV-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
COCC1(C(=O)N[C@@H]2CCC=C2B(O)O)CC1	2020062905	VHHKPWWAGDBOFZ-SECBINFHSA-N	239.080	-0.370	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H]2C(N)=O)c1	2028917242	AXHCBBPHYNHAOV-JTQLQIEISA-N	248.286	-0.650	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3C[C@@H](N)C[C@H]32)CC1	2050075020	QFMZYJNFJYIMGA-DTIDVZRVSA-N	249.314	-0.153	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1B(O)O	2052472031	PNFORDZYPVXFQN-YTWAJWBKSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3C[C@H]3C2)n1	2052623793	MVCAVOHQIGINLW-ZJUUUORDSA-N	247.107	-0.381	50	10	BBGE	
N#Cc1cc(Cl)cc(B(O)O)c1C=O	2060091944	MNNAXAFPRZCWKC-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@@H]2COC[C@H]21	2066307603	BQGAZJPWUPHWNJ-LDYMZIIASA-N	248.286	-0.484	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070852229	QLRFUWVZFWSLNS-PBZVATCTSA-N	244.103	-0.148	50	10	BBGE	
COC[C@@H](SCCCCO)C(=O)NN	2209860947	LAZHTNOMPXXHPC-SSDOTTSWSA-N	222.310	-0.503	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OC[C@@H]2CCC[C@H]21	2210311935	AUYZXZUPLJNRCE-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2211828379	YCWZNNSLAABHLJ-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H](COC)n1nc(C)c(B(O)O)c1C	2212554063	ZVCOHMNMXQPSER-SECBINFHSA-N	226.085	-0.223	50	10	BBGE	
CO[C@@H](C)CCN=c1ccc(B(O)O)c[nH]1	2212602422	DFAFFUIDYJTMQZ-QMMMGPOBSA-N	224.069	-0.980	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(B(O)O)ccn1	2212602828	KICBGIXHJNIEFC-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
C=CCN(CC=C)c1ncccc1B(O)O	2212605265	AYHVWWCPDQAADK-UHFFFAOYSA-N	218.065	-0.060	50	10	BBGE	
C#C[C@@H](CCC)Oc1ccc(B(O)O)cn1	2212606033	NGUYYPKQJRDYSM-JTQLQIEISA-N	219.049	-0.058	50	10	BBGE	
C[C@H]1C[C@H]1CCN=c1ncc(B(O)O)c[nH]1	2212611304	YVTNVUMYMGEGMI-JGVFFNPUSA-N	221.069	-0.964	50	10	BBGE	
COCC[C@H](C)Nc1ccc(B(O)O)cn1	2212611750	CPQYQXZRTCNSRC-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)CCOCC(=O)NN	2215008461	KTIGVJSTDLZQBA-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@@H]32)CCC1	2216528551	PZGHRNDZNMOZOQ-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
N[C@@H]1CCC[C@H]1Oc1nccc(B(O)O)c1F	2217197059	WZPVVUMLIKDXDU-HTQZYQBOSA-N	240.043	-0.841	50	10	BBGE	
CCOC(=O)[C@H](C)Nc1ncccc1B(O)O	2217198128	WZKOOCCSNNDKMD-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
Cc1ccccc1Cn1cc(B(O)O)cnc1=O	2224031865	WTJNNIMPRHZLAR-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C=CCN(OC)[C@H](COC)C(=O)NN	2241804614	JROHLMZKMVOCAQ-SSDOTTSWSA-N	203.242	-0.959	50	10	BBGE	
C#CC(CO)(CO)NC(=O)C[C@H](C)Cl	2242272421	FNAYZGWZTRWRNY-ZETCQYMHSA-N	219.668	-0.523	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2242811732	XYPISIMPWQKSAJ-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@]12CCC[C@@H]1C2	2243349205	HTBXNQLRZMNJGS-KOLCDFICSA-N	221.065	-0.302	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)C1(B(O)O)CC1	2243357994	AIUQIEFONWJIAR-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
O=C(N1C[C@H]2COCC[C@@H]21)C1(B(O)O)CC1	2243365733	REASQWSAZYQACS-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
C[C@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243380917	AJSAESLUCAQGJP-XKSSXDPKSA-N	227.069	-0.777	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)c(C)s1	2243381540	GXLCBINAVWMGHR-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
C#CCN(Cc1cccc(B(O)O)c1)OC	2244265139	JPZXISRZANLJLB-UHFFFAOYSA-N	219.049	-0.637	50	10	BBGE	
C=CCN(OC)c1ncc(B(O)O)cc1Cl	2244271889	JSOXWRZVLJNNAA-UHFFFAOYSA-N	242.471	-0.031	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@H]2C1	2247738294	PTFJGIAAFFWEFM-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1N	2247786864	HUQDHWUMPGPZST-YIZRAAEISA-N	240.112	-0.565	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)n(C)n1	2247790326	CESDPNSIWLLLIC-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1ncc(CNC(=O)C2CC(B(O)O)C2)o1	2247798306	SEKXGPRYROMYBC-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
CC1(C)CCOCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247803880	DMXIABQCROBRPD-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCOC1	2247806591	GEMIDZCWFRDWAD-WCABBAIRSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(OC(F)F)C1	2247810235	VTJUNVHVEDBHGB-IZLXSQMJSA-N	249.022	-0.311	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2247851463	YTUVNALCHOSDBP-POYBYMJQSA-N	248.997	-0.294	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CCC2)C[C@H]1O	2247852825	AEBWLYHCPHYDQR-JGVFFNPUSA-N	241.096	-0.341	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCNC1	2247858393	DQFPFJZUEUZYRH-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C1CCC1	2247868651	HISHPULKNGJPRJ-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CC1=C(C)CN(C(=O)c2occc2B(O)O)C1	2247879399	UOABXPJXBUVEGH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894457	GZXKISPCURBJQE-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)C[C@@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247909404	JNJCONRLLTZORB-HRDYMLBCSA-N	240.112	-0.422	50	10	BBGE	
NCC[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247910281	ODUXUMZZCPQVQQ-LPEHRKFASA-N	240.112	-0.563	50	10	BBGE	
CC(C)(NC(=O)c1cocc1B(O)O)C(F)F	2249416050	MHRBJXQMWJBBIC-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
Cc1[nH]nc(C(=O)NCCC#CB(O)O)c1C	2249998704	MDVBRUPNVRWELV-UHFFFAOYSA-N	235.052	-0.838	50	10	BBGE	
C=C[C@H](C)CCN=c1[nH]ccc(B(O)O)c1F	2251011711	FVUMZETUNARGLP-QMMMGPOBSA-N	238.071	-0.054	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1ccc(B(O)O)o1	2255465989	ROBMVOYMEFRXKK-HTQZYQBOSA-N	249.075	-0.265	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2255488513	FQXOHWQAKJBSOE-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CC[C@H]2C)c1	2255502457	XQWWEFDPZDMEAP-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(C)ccc1B(O)O	2255512828	GPUYXNKIRDJCGG-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2CC[C@H]2C)c(B(O)O)c1	2255556407	OVGPJJUVSZEZHY-SCZZXKLOSA-N	248.091	-0.402	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)Nc1ccccn1	2255710864	QOIPABNZQHVVBL-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2cccn2)C1)C1(B(O)O)CC1	2255728335	DXWZKQNUVDGGRZ-KYZUINATSA-N	249.079	-0.290	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1ccoc1B(O)O	2258950389	TZLDGDBELNIAEF-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]1[C@@H]2CO	2298166489	QYSFJYWAYSROGK-KJPMQGKISA-N	239.319	-0.685	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3B(O)O)C[C@H]12	2298369744	CTQXPHCIINTQHT-CZGZKWGZSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2298371878	YNLLJQDKLAPWMP-DJLDLDEBSA-N	237.068	-0.749	50	10	BBGE	
Cc1nn([C@H]2COC(C)(C)C2)c(C)c1B(O)O	2307806253	MCPRMLRYSVSVKY-SECBINFHSA-N	238.096	-0.080	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](Nc3ccc(B(O)O)cn3)C[C@H]12	2312612252	LBCGPLSRJHJGFE-VFRUTBLMSA-N	247.107	-0.701	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1cncc(B(O)O)c1	2317064506	NLDBGBSTSRNMPE-YUMQZZPRSA-N	248.091	-0.464	50	10	BBGE	
CC(=O)NNC(=O)CC(=O)Nc1nccs1	5639318	CDZIRLBLYQDGPV-UHFFFAOYSA-N	242.260	-0.361	50	10	BBGE	
N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)NN	34107090	VPTLUSVGUIJHNJ-ZSOIEALJSA-N	248.202	-0.124	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)O[C@H](C)C1	58851641	OTKFOSVHNAHDRJ-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)[C@H]1CCCN(C(=O)C(F)(F)F)C1	71478143	BWVKEWHOZAFUED-YFKPBYRVSA-N	239.197	-0.223	50	10	BBGE	
CCN(CC(=O)NN)C1CCNCC1	82470778	QTUMFIFPFZWYTI-UHFFFAOYSA-N	200.286	-0.950	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)CC(C)(C)O	86275187	FLHHSXBAXWTLEQ-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
CCOCCN(C)CCCC(=O)NN	87979983	RHAPWZQWEYLABR-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)c2cccnc2)C1	154773094	BNUWHXSPRMBOQQ-UHFFFAOYSA-N	233.227	-0.178	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@@H](C)N1C	164716458	ZTBOSVCPWXBTIE-DTORHVGOSA-N	214.313	-0.609	50	10	BBGE	
OC/C=C\[C@H](O)[C@H](O)CBr	223928476	YTMORFNIWVQAMT-COEFBKBTSA-N	211.055	-0.348	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)C[C@@H]1O	230357157	MMVWAWUOPUKDFY-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Br)C(=O)NCC(=O)N(C)C	235141389	PGFZOCKIUIIWQZ-RXMQYKEDSA-N	237.097	-0.026	50	10	BBGE	
O=C=NCc1ccc(N2CC(=O)NCC2=O)cc1	258254727	FAUQEFRHTQRGOL-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
CS(=O)(=O)CC1=NS(=O)(=O)C(C#N)=C1	260175490	ODJBBDRNTGLRGG-UHFFFAOYSA-N	234.258	-0.777	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	300021160	UBTLLGUMKAINAQ-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
Cc1ccn(Cc2occc2C(=O)NN)c(=O)n1	306023134	ZUDJIGHWKOWNLA-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
OB(O)c1cnccc1OC(F)(F)F	306631743	AIKPPDLZYFILFB-UHFFFAOYSA-N	206.916	-0.340	50	10	BBGE	
Cc1ccc(B(O)O)cc1CO[C@@H]1CCOC1	313752051	RAZWPGKKVJFUFM-GFCCVEGCSA-N	236.076	-0.020	50	10	BBGE	
COC1CN([C@H](C)[C@H](C)C(=O)NN)C1	379583959	NSGUKGVLRNBFAA-NKWVEPMBSA-N	201.270	-0.669	50	10	BBGE	
COC(=O)NNC(=O)CNC(C)(C)C	393665228	HKPXLMCPXKTUCW-UHFFFAOYSA-N	203.242	-0.238	50	10	BBGE	
NS(=O)(=O)CCCCNC(=O)CCCl	393919938	QGYMBMMCDGIJOB-UHFFFAOYSA-N	242.728	-0.200	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(C(C)C)C1	394909408	MNZFIRXSGFFCJX-QMMMGPOBSA-N	215.297	-0.542	50	10	BBGE	
N#Cc1cc2sccc2c(CO)c1B(O)O	396231090	ZNQLUFMWOIBADK-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)CCCC(=O)NN	399992080	UUYIJHAAUVMHIB-ANRSDYALSA-N	235.353	-0.545	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@@H](N1CC(=O)OC(=O)C1)C2	401980666	OWPWUKQZZXLBBE-GUBZILKMSA-N	238.287	-0.146	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1	689116999	VNUZTAKPTXSZJL-CABZTGNLSA-N	236.271	-0.100	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2CC1(CO)C2	694583785	USWHACIACAKMNY-YUCVTWSNSA-N	227.308	-0.542	50	10	BBGE	
CCC1CN([C@@H](COC)C(=O)NN)C1	698427216	RUJAWIRITTXCER-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CN(C)C(=O)C(=O)NN)[C@@H]1C	701347477	HSDDZTJDDGJJPL-XAVMHZPKSA-N	243.307	-0.506	50	10	BBGE	
Cn1nnc(CNC(=O)OCCl)n1	703087437	FYJQKDWVYOEWOX-UHFFFAOYSA-N	205.605	-0.367	50	10	BBGE	
CC(C)N1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703438184	FYNKNVNMVIGMLX-UWVGGRQHSA-N	238.287	-0.005	50	10	BBGE	
C[C@@H]1CCN1Cc1nc(C(=O)NN)co1	706740135	VQYJEQNGOJBRSJ-ZCFIWIBFSA-N	210.237	-0.128	50	10	BBGE	
CN(CCn1cccn1)CC(C)(C)C(=O)NN	707204758	QDIGYVXUFYTPNO-UHFFFAOYSA-N	239.323	-0.169	50	10	BBGE	
C[C@@H](CN1C[C@@H]2[C@H](C1)C2(F)F)C(=O)NN	715400482	GVQIPRBAHQWNPB-LYFYHCNISA-N	219.235	-0.191	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3C[C@H]3C2=O)n1	715553585	YCHZHICUXFXXJY-IONNQARKSA-N	246.270	-0.337	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCS[C@@H](CO)C1	720058842	BYGLXJPWDUYAKX-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
CCn1nc(C)cc1C(=O)NNC(C)=O	725878425	KZBGUFRMQQCWGI-UHFFFAOYSA-N	210.237	-0.008	50	10	BBGE	
COCc1cc(NC(=O)NNC(C)=O)ncn1	765219708	NWGGJJLQOMNNHU-UHFFFAOYSA-N	239.235	-0.204	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNC(=O)C(C)(C)O	768245577	CSHDTNWCUIWXEV-HTQZYQBOSA-N	244.291	-0.423	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CC[C@@H](OC)C1	823424962	IFSLCOOSMDYCKK-RNFRBKRXSA-N	215.253	-0.238	50	10	BBGE	
CN(NC(=O)[C@@]12C[C@@H]1COC2(C)C)C(N)=O	831519863	RWQKBOXOBYEERE-LHLIQPBNSA-N	227.264	-0.157	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	854665889	HQEKWHFKHXMPTI-MBTKJCJQSA-N	224.260	-0.174	50	10	BBGE	
O=C1NC[C@@H](CNS(=O)(=O)CCCl)O1	1253593868	IMTMWLYTBIGJSW-YFKPBYRVSA-N	242.684	-0.747	50	10	BBGE	
C=C(C)CCC(=O)NNC(=O)c1cn(C)nn1	1337348093	LXJGOENPJAGDMT-UHFFFAOYSA-N	237.263	-0.068	50	10	BBGE	
CC(Cn1cncn1)=NNC(=O)c1cn(C)nn1	1350466447	YQZFZJZXWMNPDR-UHFFFAOYSA-N	248.250	-0.788	50	10	BBGE	
CC(=O)NNC(=O)c1nnc(C2CC2)o1	1350573197	ILAJMNYHFZAAEW-UHFFFAOYSA-N	210.193	-0.272	50	10	BBGE	
CN(NC(=O)c1cncc2nc[nH]c12)C(N)=O	1446331455	GBHJSZQWWJDNGF-UHFFFAOYSA-N	234.219	-0.387	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@H]1COC(=O)C1	1542471085	IURAFNLAYZRNGH-SSDOTTSWSA-N	243.263	-0.322	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ccccn2)N1	1632129492	PJLFGFYXYWYVPV-LURJTMIESA-N	206.205	-0.587	50	10	BBGE	
C[C@@](N)(CO)CNC(=O)C1CC(Cl)C1	1876124707	DWYCZDGCGJZYTJ-IEIXJENWSA-N	220.700	-0.170	50	10	BBGE	
N=c1nn[nH]n1C[C@H]1C[C@H]1Br	1880436013	JBFWINIMDLLQOQ-QWWZWVQMSA-N	218.058	-0.131	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1O)[C@@H]1C[C@H]1Cl	1883645233	NAUZNQOKFLYNGP-GBNDHIKLSA-N	205.641	-0.510	50	10	BBGE	
Cc1c(CN)cc(B(O)O)c(C)c1S	1887522650	BXJPVCAKLPOQDC-UHFFFAOYSA-N	211.095	-0.269	50	10	BBGE	
C[C@H]1OCC[C@@H]1CC(=O)NNC(N)=O	1892662672	URWPPEAQGAUUGB-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
C=C[C@@H](CCl)NC(=O)Cn1cnnn1	1901505218	SUHGJIHZYKHVIY-LURJTMIESA-N	215.644	-0.417	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC(O)CC1	1901763803	MZYYBHIBKXGVJD-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(N)=O)N(C)[C@H](C)CCCC(=O)NN	1901766638	VKDHHHBVCVYUMR-SFYZADRCSA-N	230.312	-0.659	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1902520692	DCKCVSJRHCCWSS-BDAKNGLRSA-N	226.085	-0.987	50	10	BBGE	
CC[C@@H](CN)Oc1cc(B(O)O)c(F)cn1	1903022691	DZDMAWUUSSSZLZ-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@](F)(CO)C1	1917099889	CIUGAFVNUYJTBR-SSDOTTSWSA-N	241.213	-0.982	50	10	BBGE	
COc1ccc(B(O)O)cc1CN(C)CCF	1917268720	MYUNOIBDZDPNJD-UHFFFAOYSA-N	241.071	-0.224	50	10	BBGE	
N[C@@H](B(O)O)c1ccc2c(c1)OCCO2	1927763448	WCXLRLNXJVCUQC-SECBINFHSA-N	209.010	-0.530	50	10	BBGE	
CN(C)[C@@H]1CN(c2nnnn2C)C[C@H]1Cl	1928370385	LPYFSLMHWAOVDV-RNFRBKRXSA-N	230.703	-0.432	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C(=O)NN)C1	1930899151	HHGBRERQWBHNIZ-ZETCQYMHSA-N	213.281	-0.081	50	10	BBGE	
C[C@@H](CC(N)=O)N1CCC(O)(C#N)CC1	1931307202	RADFJZDSWSYUAD-QMMMGPOBSA-N	211.265	-0.399	50	10	BBGE	
CN(C)C[C@@H](O)CN1C[C@](C)(CCl)C1=O	1931734758	HHYXFGMWXJGWRQ-SCZZXKLOSA-N	234.727	-0.004	50	10	BBGE	
NC(=O)CN1CC(CCl)(CCl)C1=O	1932907472	DLFUWTOMQOWIBR-UHFFFAOYSA-N	225.075	-0.222	50	10	BBGE	
CN(C)[C@H]1CCCCN(CC(=O)NN)C1	1934076915	BWINGVNSEVNQGD-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CN(C)CCN(CCO)C[C@@H](O)CCl	1934408374	HNAVJYBZHNGMSW-VIFPVBQESA-N	224.732	-0.558	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)CO	1936079668	GFGOBFFLKUGFQF-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936095511	XUXNOBUVKRFNPX-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
OC[C@]12CN(CCOCCCl)C[C@]1(CO)C2	1937053938	OLILPWZQPVTFGX-QWRGUYRKSA-N	249.738	-0.082	50	10	BBGE	
CN(Cc1csnn1)C[C@@H]1C[C@@H]1C(=O)NN	1937716474	UKWVWASJBFXTET-XPUUQOCRSA-N	241.320	-0.404	50	10	BBGE	
C[C@H](CC(N)=O)N(C)CCCCC(=O)NN	1938357177	LMMNPWKKFWZYIO-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]2(CCO2)C1	1938676940	UDDYSUNEGCRZFY-ONGXEEELSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1C(=O)N(C)C	1940305791	ZFXYCNYVPLHMNS-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1941088624	RLVYJYBFEUVBHL-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941092110	GIQOMCUYNBLRTE-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@]2(CCCO2)C1	1941394948	TZGVBWIYSPVISK-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
CC1(C)COC[C@H](CN2CC(=O)OC(=O)C2)O1	1941908623	IIAWILFZCRRIQV-QMMMGPOBSA-N	243.259	-0.434	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1O[C@@H](COC)C(=O)NN	1947168107	GFBVDYDGHDOBRC-BBBLOLIVSA-N	246.307	-0.177	50	10	BBGE	
CCC(CC)(CN)N(C)CC(=O)NNC(C)=O	1949473734	HMDFHNKSZNNZJA-UHFFFAOYSA-N	244.339	-0.397	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H]1[C@@H](CO)C2)C(=O)NN	1951017440	CGXCGOBZTMORPD-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)[C@@H](C)N=C=O	1951454854	PTJVOBRGOJOGME-HTRCEHHLSA-N	234.277	-0.740	50	10	BBGE	
CCCOC1CN([C@H](C)C(=O)NN)C1	1955280482	VIEVTKOEBAWJBQ-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[S@@](=O)(=NCC(=O)NN)N1CCCC1	1956459851	XVMUOGKLNQLGAV-CQSZACIVSA-N	220.298	-0.915	50	10	BBGE	
CN(CCOCCCl)[C@@H]1CC(=O)NC1=O	1961462108	QMSZNEPOUCPJBN-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
CCN(OC)c1ncc(Cl)cc1B(O)O	1961717719	FGRIKZOYOXIDHA-UHFFFAOYSA-N	230.460	-0.198	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1978185335	RZBLAMANWKNBPB-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H](O)C(C)C	1979787032	LRPMCCLHOHBHRA-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1COCCC1(F)F	1980167182	OCDQNDPOVWOICH-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	1981053805	OEFKKBRJKLVFAD-WDSKDSINSA-N	245.666	-0.624	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCOC2)c(F)c1	1981421255	XLYSYRMAERPDGX-ZETCQYMHSA-N	227.000	-0.932	50	10	BBGE	
OB(O)c1cncnc1OCCC(F)(F)F	1981421596	BRFXWVXFIGMPPU-UHFFFAOYSA-N	235.958	-0.512	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1984463267	YCAVSBJDWIZADK-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
COC[C@@]1(F)CCN([C@H](C)CC(=O)NN)C1	1984647546	XRUYXOKGMHFTOE-PSASIEDQSA-N	233.287	-0.185	50	10	BBGE	
CCN(CCCC(=O)NN)CC1(O)CCC1	1985212207	HCASJRCFYUVBNF-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CCCONC(=O)c1ccccc1B(O)O	1992835506	BZFGAXFWFBAKPT-UHFFFAOYSA-N	223.037	-0.562	50	10	BBGE	
CCCS(=O)(=O)CCN1CC(=O)OC(=O)C1	1994471948	QLIMCRUZOZZBMA-UHFFFAOYSA-N	249.288	-0.803	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1c1nncs1	1994562909	ISLYYFIQDJPCTB-YFKPBYRVSA-N	241.276	-0.809	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)OCC1(C)C	1997649334	ZQNWPKVYJZCGRC-ZETCQYMHSA-N	245.279	-0.263	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCn2cccc2C1	2004184833	LIESWYZHXTZJAI-KOLCDFICSA-N	234.303	-0.070	50	10	BBGE	
C[C@]1(F)CCCN(c2ncncc2B(O)O)C1	2004916680	OHRQGUKLZGUCFR-JTQLQIEISA-N	239.059	-0.515	50	10	BBGE	
CCCN(CCOC)c1ccncc1B(O)O	2004918337	KKVHTZBACXETPY-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)CC(C)(C)C(=O)NN	2006196412	BEGIGZRPOVTQKP-UWVGGRQHSA-N	241.335	-0.173	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CO[C@]2(CCOC2)C1	2009144836	SRRFJHVXJSBDBW-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
C[C@]1(CO)CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2010834686	GFGIHPOFTYHXKT-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](CN(C)c1ccc(B(O)O)cn1)OC	2014868284	XAVDPKRWMASOOJ-JTQLQIEISA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCCOCC1	2014926402	MUGOFFHNMSPSHT-UHFFFAOYSA-N	240.043	-0.873	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@@](F)(C2)C1	2019211292	PRFJLKOIZHFSEI-GXSJLCMTSA-N	243.282	-0.022	50	10	BBGE	
O=C(NCC=CB(O)O)c1c(F)cncc1F	2026192782	OLGUVGBHMAKPPI-UHFFFAOYSA-N	241.990	-0.342	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@]12CCC[C@@H]1C2	2040767759	XAECIXKBGHJLGB-PELKAZGASA-N	246.075	-0.110	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23CCNC[C@H]2C3)CC1	2043093725	JOWSXCVWBQFPGI-ZWNOBZJWSA-N	249.314	-0.137	50	10	BBGE	
Cc1ncn(Cc2c(C(=O)NN)cnn2C)c1C	2050241102	FXQOVKAQZQDKFE-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
CN(Cc1cccn1C)c1ccc(B(O)O)cn1	2052469430	QOXSWHORDDRBET-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)n1	2053735997	ONLBBVOIUGPWQA-WYOJIJJFSA-N	245.091	-0.691	50	10	BBGE	
Cn1cnc(COCc2cccc(B(O)O)c2)c1	2080305103	QRJRNZUIYZHUMP-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C#CCN1CC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	2083723532	PEPBMHODPNHABR-VWYCJHECSA-N	248.282	-0.390	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCOC[C@@H]1N=C=O	2211594959	PTMCMORPOKNUNM-MRVPVSSYSA-N	249.292	-0.823	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCO1	2212602577	GPFWCWLZUWYSAD-QMMMGPOBSA-N	222.053	-0.648	50	10	BBGE	
CC[C@@H](O)CCNc1ncccc1B(O)O	2212615699	SSSSPMCZGSXJPU-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
C[C@@H](CN1C(=O)OC(C)(C)C1=O)C(=O)NN	2212756042	YTUZSJOOWSLHAU-YFKPBYRVSA-N	229.236	-0.630	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCO2)c1F	2217180197	RAJFTCWRGLPBIN-SSDOTTSWSA-N	240.043	-0.509	50	10	BBGE	
N[C@H]1C[C@@](F)(CNc2ccc(B(O)O)cn2)C1	2217180974	MRBRXQYLBURVBS-CZMCAQCFSA-N	239.059	-0.997	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1cc(B(O)O)c(C)cn1	2217181434	PWNQSMDIMKJRPW-WCBMZHEXSA-N	238.096	-0.426	50	10	BBGE	
CC(C)(CCCN)Oc1ccc(B(O)O)cn1	2217184690	QZHDOELHTSDJRP-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
Cn1cc(COc2cc(B(O)O)ccn2)cn1	2217188375	NJISDDOVEZZWNG-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C=C[C@@H]1CN(c2cc(B(O)O)ccn2)CCO1	2217199118	KCPVZANZVHUKLQ-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
OC[C@H](CC(F)F)Nc1ccc(B(O)O)cn1	2217199303	BOFPRACXJRNGLW-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3OCC[C@H]32)nc1	2217202060	UOJBPJCWASFCLV-AEJSXWLSSA-N	234.064	-0.649	50	10	BBGE	
OB(O)c1cnc(NC2CC(C(F)F)C2)nc1	2217202725	ZEYMSBYSFXKTMI-UHFFFAOYSA-N	243.022	-0.388	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C1(CO)CC1	2217205016	RZMBMMVPCUSJRP-MRVPVSSYSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@]23CCCOC3)nc1	2223647031	SEAXTDPJURAOCA-CMPLNLGQSA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(N2CCCC23CNC3)cc1B(O)O	2223649094	UBONOQFMKUGDRG-UHFFFAOYSA-N	247.107	-0.988	50	10	BBGE	
CO[C@H]1C=C[C@H](Nc2cc(B(O)O)c(C)cn2)C1	2223649754	CPYGIMAQNWQIBC-UWVGGRQHSA-N	248.091	-0.175	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3C[C@H]2CN3)cc1B(O)O	2223649813	DJPDPVKKXMCQFB-IQJOONFLSA-N	248.091	-0.801	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1(CN)CCCC1	2223666525	JSDXITKPDADMLO-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CN1CC[C@](C)(CNc2ncccc2B(O)O)C1	2223670502	YYUXKFXDRJIHGA-GFCCVEGCSA-N	249.123	-0.485	50	10	BBGE	
CN1C[C@H](Nc2ncccc2B(O)O)CC1(C)C	2223670967	GCQIKOLTKRPTGQ-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCN1C	2223675434	WPXNIXPPEGHKRZ-GXSJLCMTSA-N	249.123	-0.344	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)C(=O)C#CB(O)O	2243356285	FEGKGVAYADOMRS-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
CN(C(=O)c1ncsc1B(O)O)C1CCC1	2243359630	VKYOVKXLPZYXPJ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1csc(B(O)O)c1	2243362505	RXPGFYVXTIWUTD-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)C2(B(O)O)CC2)c1C	2243364088	QOOCEQRWYZTEAJ-UHFFFAOYSA-N	223.041	-0.606	50	10	BBGE	
CC12CC(NC(=O)[C@H]3C[C@H]3B(O)O)(CO1)C2	2243381624	HHQKAPDBJDTQIO-RYEKAPQHSA-N	225.053	-0.713	50	10	BBGE	
COc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)sn1	2243383067	UHOJOTFHHJAFDN-WHFBIAKZSA-N	242.065	-0.047	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243383485	YUVASPZKSNWWEL-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(COC2)C1	2243413545	IJXGZKQXMXVSTC-UHFFFAOYSA-N	225.053	-0.902	50	10	BBGE	
Cc1sc(C(=O)N[C@H]2C[C@H]2F)cc1B(O)O	2243413777	NFIDTQIWEWLHKW-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1cc(B(O)O)co1	2244220561	DPFVFBAJYCESRM-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
CN1CC2(CN(C[C@@H](O)CCl)C2)OCC1=O	2245327836	YZDAGAHBLAJHGF-QMMMGPOBSA-N	248.710	-0.871	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@H]1CCCCO1	2246747997	JXDSROIDIVGAET-NSHDSACASA-N	237.064	-0.025	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2246750519	VLXIVMDCOJBJQR-UMNHJUIQSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2247739943	DEJRTYXGEOAKNW-MBTKJCJQSA-N	234.064	-0.777	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1cc(B(O)O)c[nH]1	2247744509	UFYCPEAUKPOAQR-SECBINFHSA-N	234.064	-0.467	50	10	BBGE	
CCCN(C[C@@H]1CCOC1)C(=O)C#CB(O)O	2247746727	CQGJJUAPTJVDQK-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
CN(C)C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247756157	RRKKYDIRPNLCGY-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
CC[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CC1	2247780609	CVBJLNPTKCRJAK-QMMMGPOBSA-N	237.068	-0.992	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789759	AYUOOLSHHJPLGP-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
CN1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247796768	CRRFCIYBIYQKKH-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
CCN(CCCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804718	HYYNFFFTKUERBH-MGCOHNPYSA-N	243.112	-0.140	50	10	BBGE	
CC1(CNC(=O)C2CC(B(O)O)C2)CC(N)C1	2247808064	JWBFIZOZNKMMNZ-UHFFFAOYSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)C1CC(B(O)O)C1	2247809467	PIFDVPWDGFELGU-PEBLOWIWSA-N	245.059	-0.517	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1cc(B(O)O)c[nH]1	2247848469	MHYJCBODVUDUMK-HTQZYQBOSA-N	240.043	-0.685	50	10	BBGE	
O=C(NC[C@]12CCOC[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2247887906	TUFHMBSYVILKPT-YSSBGUOXSA-N	239.080	-0.608	50	10	BBGE	
CC(C)(C)[C@H](CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2247895224	QCFZSPHPBZKNRC-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H](C)O1	2247899980	RYJSHSPEMMFYOL-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)C1CC(B(O)O)C1	2247908990	CYAGMYBYEUJIHY-ANQZYXBKSA-N	239.080	-0.610	50	10	BBGE	
O=C(N[C@H]1CCCCNC1)C1CC(B(O)O)C1	2247910822	RPEUZLXDIKXSON-RTBKNWGFSA-N	240.112	-0.502	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248575604	BZHIAKNOUHCCLI-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
C#CCCN(CC)C(=O)c1cc(B(O)O)co1	2249412667	ZDWUVOWHENYYQC-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
CC(C)CCONC(=O)c1cocc1B(O)O	2249427739	KNZYLOULPZEUDR-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COC[C@H]1C2	2249913788	UPPRTUVPYWBEEV-AUXWQGHOSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(B(O)O)o1	2255461400	HMTCTESWOBMAQJ-CIUDSAMLSA-N	249.075	-0.265	50	10	BBGE	
CC#CCCNC(=O)c1c(C)cccc1B(O)O	2255509690	NXVNPEWOHGIBJL-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
CCN(CCC#N)C(=O)c1cncc(B(O)O)c1	2255522575	LOJYXKVXBXQBHQ-UHFFFAOYSA-N	247.063	-0.863	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1n[nH]cc1B(O)O	2255547851	IVNGVTMNAMPJEP-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
C[C@]1(NC(=O)c2cncc(B(O)O)c2)C=CCC1	2255722284	MWBIOQXUVOOGCL-LBPRGKRZSA-N	246.075	-0.400	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC=C(F)C2)c1	2255735396	SLXVLJBFLACNCL-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
COc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1B(O)O	2255743092	FFZFVPFNHYCHBP-XCBNKYQSSA-N	249.075	-0.487	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)c(OC)c1	2255766000	XLUHBIFWSNWMAW-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(NC1CC(c2ncc[nH]2)C1)[C@H]1C[C@H]1B(O)O	2255770110	OICLXVTYAXEHHK-ABIFROTESA-N	249.079	-0.365	50	10	BBGE	
C#C[C@H]1CCN1C(=O)Nc1ccc(B(O)O)cc1	2255905089	AMHLTGDCOJCLGN-NSHDSACASA-N	244.059	-0.394	50	10	BBGE	
Cc1ccnc(C)c1C(=O)NCCC#CB(O)O	2258963863	YNMJJEOZXYSVKO-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
CC(C)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376755	MYHIMPAOKRKCFL-BBBLOLIVSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)O)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298462807	CXPOAKGUCVMKFW-YWIQKCBGSA-N	241.052	-0.687	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN([C@@H](C)CC(=O)NN)C2	2299131618	MIJWVSFYQOZYRD-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](O)CN(C)c1ccc(B(O)O)cc1C#N	2301338960	OHDNCZYZCOUEKA-QMMMGPOBSA-N	234.064	-0.945	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2301420215	BOSBCYGXKYZHSI-QWRGUYRKSA-N	235.048	-0.622	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12CCOC[C@@H]1C2	2303104316	JTKZCFSNDCMNHR-QXEWZRGKSA-N	239.080	-0.512	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)[C@H]1C	2304202680	FPSKDJGOZKBDLZ-JLIMGVALSA-N	245.323	-0.918	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306256371	KMQATHZVJYXNGS-LOLPMWEVSA-N	239.080	-0.779	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3C[C@H]2CO3)c1	2308121555	PDPKXLPZWLKKRU-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2	2312848239	ZDMUZZOQTIQZPH-BDAKNGLRSA-N	247.059	-0.108	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H](O)C1	2317150458	FWZDVUIXPYFUGZ-MNOVXSKESA-N	246.075	-0.437	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)C(C)(C)N	2317208520	YVXHZUKACSCEMN-MRVPVSSYSA-N	248.091	-0.257	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)C1CNC1	2317351183	DPUYBQFMBMXJEC-MRVPVSSYSA-N	249.075	-0.834	50	10	BBGE	
Cc1ccnc(Cn2cc(B(O)O)ccc2=O)c1	2320497083	HEAFZCNMDIFYAP-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1Nc1ncc(B(O)O)cn1	2321007799	DOXOIBRWHLAVNW-SCZZXKLOSA-N	249.079	-0.841	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCCN(CC(N)=O)CC1	37833966	XFBWALUWFLHMMM-QMMMGPOBSA-N	247.726	-0.367	50	10	BBGE	
CN(CC(=O)N1CCCC1)C(=O)NN	42489499	HDVVVVSPDUFBEA-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
NNC(=O)COCC(=O)Nc1ccc(F)cc1	58854275	RDLJWBINPUYQQN-UHFFFAOYSA-N	241.222	-0.229	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C(=O)CCCCl	129319751	QJNFKJCPFBLXAZ-ZETCQYMHSA-N	234.683	-0.282	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	132499363	CLJQXXCWNCTJME-XAVMHZPKSA-N	213.281	-0.933	50	10	BBGE	
NC(=O)CNC(=O)CCBr	168325268	ABHJUBGZDFTCPP-UHFFFAOYSA-N	209.043	-0.627	50	10	BBGE	
CCN(CCOC)Cc1ccc(B(O)O)cc1	199008239	YLLYIHKOJLALRK-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N)C1	223081098	KTQAROMEBYVUIC-GHMZBOCLSA-N	234.303	-0.249	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)CC(F)F	231592932	FNCXNUKEHHMAPV-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)CCO1	235736631	HRFITZUCMXFVTC-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](C(N)=O)C1	236255080	UILKLTDVTZDJHV-RQJHMYQMSA-N	201.657	-0.075	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC(=O)O	238418746	GLMKEWWFJFIQNH-VKHMYHEASA-N	208.601	-0.476	50	10	BBGE	
NNC(=O)c1nc(S)c(Cl)nc1N	238563447	CUZITNWQOLCPRF-UHFFFAOYSA-N	219.657	-0.396	50	10	BBGE	
N#CC(C#N)=Cc1nn[nH]c1N=C(N)N	238603636	DABNWUTYDJCSPE-UHFFFAOYSA-N	202.181	-0.860	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@](O)(CO)C1	306274886	KGZLPLNXWOPNNH-SSDOTTSWSA-N	243.712	-0.668	50	10	BBGE	
N=c1ccn([C@@H]2C[C@@H](Cl)[C@@H](CO)O2)c(O)n1	381399403	PRVPTKWTZHAFNZ-JKMUOGBPSA-N	245.666	-0.045	50	10	BBGE	
CNC(=O)CC1CN(CCCCC(=O)NN)C1	382303677	YJWUESZOSPUVPM-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C(N(C)C)[C@@H]2C1	384724619	IVFWTHIQURYBCI-OPRDCNLKSA-N	240.351	-0.507	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1/C=C/C(=O)O	396139373	SDILDOJJUSKFIE-HWKANZROSA-N	248.043	-0.404	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1/C=C\C(=O)O	396140882	KLEZLWUPRKJQTE-SREVYHEPSA-N	245.043	-0.080	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCCO)C1CC1	404252150	NUVKFCCIPMKBBN-VIFPVBQESA-N	215.297	-0.398	50	10	BBGE	
COCCC(=O)NCc1ccccc1B(O)O	405015934	TYYBRBTWMYGXBF-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
C[C@H]1C[C@H](C)N1C(=O)c1cccc(B(O)O)c1	584985898	RYXXKRONPBUOBJ-IUCAKERBSA-N	233.076	-0.011	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584989429	ODYQJFXAJAWRMX-LDYMZIIASA-N	233.076	-0.105	50	10	BBGE	
CN(C[C@@H](O)CCl)CC(C)(CO)CO	689330338	HCXAYHQHBYSMCS-QMMMGPOBSA-N	225.716	-0.491	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@@H]1O	689814339	GENDHAHOOKRHSR-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2COC[C@H]21	690713858	FYNWPDOPYCZLLS-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)CCC(=O)O)CC1	692079788	SDPBSAQXJMFBME-SECBINFHSA-N	242.275	-0.437	50	10	BBGE	
N#CC1(O)CCN(c2ccc(C(N)=O)nn2)CC1	692160573	MQSPUGXRUMCCFM-UHFFFAOYSA-N	247.258	-0.570	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCCCO2)n1	694308728	MYFVTPXHAYCUAG-QMMMGPOBSA-N	210.042	-0.868	50	10	BBGE	
O=C(NCC1CC1)Nc1cccc(B(O)O)n1	701048271	DAIVZFBJBXCKPG-UHFFFAOYSA-N	235.052	-0.707	50	10	BBGE	
CS[C@H]1CCC[C@H]1N(C)C(=O)C(=O)NN	707270370	DDXKCGFNWIOPBB-RQJHMYQMSA-N	231.321	-0.281	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](CN=C=O)C1	709813368	BWBZVZBUWKCYCO-QMMMGPOBSA-N	218.278	-0.006	50	10	BBGE	
CC[C@@]1(O)CCCN([C@H](C)CC(=O)NN)C1	710208946	HDOJADQXNWETAN-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)C(C)(C)CC1	712654873	ATBRCUUHXNLEEB-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@H](C)Cl)C1	714439218	NJHJBVSMVNPYGI-YFKPBYRVSA-N	221.640	-0.640	50	10	BBGE	
CC1(CNC(=O)C(=O)NN)CC(F)(F)C1	720969320	IBBLPZIDNQPVQA-UHFFFAOYSA-N	221.207	-0.472	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CCC(=O)NN	724139853	NADKNYODQCAVSC-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[S@](=O)NC[C]1C=C[C@H](B(O)O)S1	725596186	SUFCVICRQSFNTJ-UANNBLPKSA-N	220.104	-0.915	50	10	BBGE	
O=C(NNC1=NCC(O)=C1)c1cnccn1	747629082	AYDMXQRJYRXOMU-UHFFFAOYSA-N	219.204	-0.435	50	10	BBGE	
Cc1nc(F)ccc1C=NNC(=O)CO	782266894	FJSVLHGDFAVXBR-UHFFFAOYSA-N	211.196	-0.028	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCC(C)(C)O1	784894221	QMHMPOVLPFGFGL-LURJTMIESA-N	215.253	-0.096	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC=CCC2)nn1	855183818	FXXHFFRYIFQROW-QMMMGPOBSA-N	249.274	-0.068	50	10	BBGE	
CN1CCn2nc(NC(=O)NN)cc2C1	1335692756	SFEPQTHDLOPNRN-UHFFFAOYSA-N	210.241	-0.676	50	10	BBGE	
CCN(CCO)NC(=O)CCCCNC(N)=O	1452333995	ODVIOFDVXKJHDR-UHFFFAOYSA-N	246.311	-0.830	50	10	BBGE	
Cn1cnc(C(=O)NNc2ccncn2)cc1=O	1641048315	KLEBJTRTLRLPTK-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)CBr)C(=O)O	1866000456	OKWJGDZHIIZLGX-WVZVXSGGSA-N	240.053	-0.669	50	10	BBGE	
NCC#CC(=O)NC[C@@H]1C[C@@H]1Br	1877361121	GBPHHAMSMORBGB-BQBZGAKWSA-N	231.093	-0.152	50	10	BBGE	
C#C[C@H](CCl)NCCS(C)(=O)=O	1880673718	HCOPLBOHAQHIST-SSDOTTSWSA-N	209.698	-0.139	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883634959	QJKSMRKLHLZHAN-ACZMJKKPSA-N	207.657	-0.263	50	10	BBGE	
C[C@H](OCCN1CCCC1)C(=O)NN	1884750227	RORAROCYBIZLMC-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COC(=O)[C@H](C)CS(=O)(=O)NCCCl	1886157133	FCKRJJHPHSWZNV-ZCFIWIBFSA-N	243.712	-0.046	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C[C@H](C)C(=O)NN	1896480780	ISVBCRXJBSVHQU-GUBZILKMSA-N	229.324	-0.173	50	10	BBGE	
CN(CCCF)C(=O)c1cnsc1B(O)O	1900443017	TVCDDDCCPOXFCJ-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
Cc1cnn(CCN2CC[C@H](B(O)O)C2)c1	1902505063	CUBAQCLAVDFVEM-JTQLQIEISA-N	223.085	-0.260	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H](C)C(N)=O)C(=O)NN	1902719900	KDTWQVGTJBKVTF-OIBJUYFYSA-N	230.312	-0.802	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)C1(B(O)O)CC1	1905013558	GEHKRMNZSPNDAD-SSDOTTSWSA-N	226.085	-0.668	50	10	BBGE	
CO[C@@H]1CC(OCCCC(=O)NN)C[C@H]1OC	1906586301	WPWQCXJUUHHJEK-NXEZZACHSA-N	246.307	-0.035	50	10	BBGE	
O=S(=O)(NCCCCl)N1CC[C@H](O)C1	1914177783	VXZRQDWGYQVSMV-ZETCQYMHSA-N	242.728	-0.484	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1cc(C(=O)NN)no1	1914252958	BIZBRFRQWVXNEM-RCOVLWMOSA-N	240.263	-0.767	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C(=O)NC(=O)CCCl	1916839158	OQHASNUMAIAGHA-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C1CN(C)C1	1929070098	GBAFYLNEDMBMLR-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)C(F)(F)C1	1931832971	YSIDQUKQVCGUQU-PHDIDXHHSA-N	215.627	-0.102	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936086906	WYGZTRGBENPRBU-FSDSQADBSA-N	225.248	-0.993	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1936093864	IGKHFMLRKFMSGB-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2CSC[C@H]2C1	1936095189	UUKQPYYYVUAIGF-IMSYWVGJSA-N	241.360	-0.093	50	10	BBGE	
C[C@@H]1CSCCN(CCOCC(=O)NN)C1	1936530883	RNUMNQDUDHASOG-VIFPVBQESA-N	247.364	-0.322	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@H]1CCO	1941088788	RXKGUGJQYHKFDU-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C2	1947109530	VQJYBCBWSDQTEF-MWGHHZFTSA-N	239.319	-0.134	50	10	BBGE	
O[C@H](CBr)Cc1nn[nH]n1	1951620982	GGLLRUFAFFGSNC-VKHMYHEASA-N	207.031	-0.502	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CN(C)NC1=O	1955559437	QHRAGDLVXQIBDM-NTSWFWBYSA-N	219.672	-0.535	50	10	BBGE	
C[C@@H](CSc1ncncc1N)C(=O)NN	1957980770	PLVAXZDLSILQKV-YFKPBYRVSA-N	227.293	-0.223	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)[C@@H](O)Cc1ccccc1	1959175974	GIUXOWHDQGOIIY-AXFHLTTASA-N	206.245	-0.198	50	10	BBGE	
CCCN(CC(=O)NN)C[C@H]1CCOC1	1961263122	VQDAYTTWQGRBFX-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
CCN(CC)c1nccc(C)c1B(O)O	1961690340	IBMQQCLHVJZDRJ-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
O=C(c1cc(=O)cc[nH]1)N1CC[C@H](B(O)O)C1	1964510024	HUTJAXXMLOPKKJ-ZETCQYMHSA-N	236.036	-0.936	50	10	BBGE	
CN(CCCC(=O)NN)[C@@]1(C)CCOC1	1974598651	WLLSXVOWUQUUOA-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]2C[C@H]2CO1	1975316734	VGJLARFXFLTXPL-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@]1(CO)C(=O)O	1980295865	BAAPFRXWRRCUFC-VIFPVBQESA-N	231.252	-0.916	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(CCO)C(=O)C1	1981025271	XSZWWORCGSLFPP-MRVPVSSYSA-N	248.710	-0.476	50	10	BBGE	
CC(C)N1CCC(=O)N(CC(=O)NN)C1=O	1981048277	YWIAHOIRTJNYAG-UHFFFAOYSA-N	228.252	-0.961	50	10	BBGE	
OB(O)c1cncnc1N(C1CC1)C1CC1	1981409209	KFDLSHKVVGGBAL-UHFFFAOYSA-N	219.053	-0.712	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCSC1	1981414002	MTUYAEYXHXZOPK-VIFPVBQESA-N	238.121	-0.297	50	10	BBGE	
C[C@@H]1CCN(c2nc(B(O)O)cs2)CCO1	1981472622	RYKOTYHJECVRCM-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)COC2	1983766722	XTBBQELMAOQTQM-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
Cc1cn(CCC(F)(F)C(=O)NN)c(O)n1	1984128420	OLUYWGRKAHETMO-UHFFFAOYSA-N	234.206	-0.088	50	10	BBGE	
CCN(CC1(O)CCC1)[C@H](C)CC(=O)NN	1985212925	PQHHYOALUZGCPM-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1C[C@@H]2CN(CCC(=O)NN)CCN2C1	1985229577	UYFLVDXYYZBQJB-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@H]2C[C@@H]21	1990776884	QQXRXOZMEHKTTK-LPEHRKFASA-N	225.292	-0.116	50	10	BBGE	
CN(C)CC(C)(C)C(=O)NCC=CB(O)O	1991331752	PJUAEMBFBVXXSD-UHFFFAOYSA-N	228.101	-0.741	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NCC=CB(O)O)C[C@H]12	1991339978	ZRTBSDZLPDLBGV-NQMVMOMDSA-N	225.053	-0.904	50	10	BBGE	
C=C(CN1CCC(C)(N(C)C)CC1)B(O)O	1992152633	HFJQCRSELPEPTD-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
O=C(NCC#CB(O)O)C1(C(F)(F)F)CC1	1992160779	ZWMWDTQLSAXIBF-UHFFFAOYSA-N	234.970	-0.540	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)ccc1Cl	1992837225	WCDGPENDBCIGMR-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1993463570	GNKWPKWQQRDMSK-RKDXNWHRSA-N	229.324	-0.154	50	10	BBGE	
CC(C)OCCN(C)c1ncc(B(O)O)cn1	2004916072	HLMORBSQSSDOGP-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CO[C@]1(C)CCN(c2ccc(B(O)O)cn2)C1	2004918701	OSDAYZORRYFKFF-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
CCOC[C@@H](C)Oc1nc(C)ccc1B(O)O	2004930919	FYKUDJXPXGDNDJ-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CCOC(C)(C)COc1ccncc1B(O)O	2004950459	FXXDBFVRZPDXHC-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](CO)CC1(C)C	2012364549	RLSCBODGDBGWJR-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CCOC12CC(C1)N(CCOCC(=O)NN)C2	2013072468	VVNHPMSFBAOYQB-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C)NC(=O)C1(C)C	2013376006	NNQUCSLRULTYCY-SFYZADRCSA-N	242.323	-0.646	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C1CC1	2014002679	VTJAZTYGWPRUDT-AXFHLTTASA-N	241.335	-0.154	50	10	BBGE	
CC1(C)C[C@@H](COc2cncc(B(O)O)c2)O1	2015563889	DJJIDAMVVXAJSA-JTQLQIEISA-N	237.064	-0.292	50	10	BBGE	
C=C(CN1CCN(CCF)CC1(C)C)B(O)O	2021163885	ZLXXTMJZFFBOIO-UHFFFAOYSA-N	244.119	-0.080	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1COC2	2021404307	NBFXRTJWUINYQG-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2052468433	CRFINUAOJYJXPN-CDDJKKQXSA-N	245.091	-0.753	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@H]3C[C@@H]32)ncc1B(O)O	2052552669	WEWYVEPWYSWSJR-ATZCPNFKSA-N	247.107	-0.300	50	10	BBGE	
COc1cc(Cl)c(B(O)O)c(C#N)c1	2060103752	ZLECDUXBXGPFCM-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
N#Cc1cc(F)cc(B(O)O)c1[N+](=O)[O-]	2060176022	BWCLOKCHGVUYKR-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)ccc1B(O)O	2068641170	ZMHYXVAEHTVPFV-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
Cc1cc(N2C[C@H]3COCC[C@H]32)ncc1B(O)O	2073042953	KOMRLHLYWPFQIV-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
O=C(Cc1cccnc1)N[C@@H]1CCC=C1B(O)O	2076082487	UQIQZKRCIAQCLB-LLVKDONJSA-N	246.075	-0.159	50	10	BBGE	
Cc1cnc(N2CC[C@H]3COC[C@@H]32)c(B(O)O)c1	2077844659	NTZXWCUHYOOQAT-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CN(CCC(=O)NN)CC12COCC(C1)C2	2211563949	NYUOTMGURPNSJC-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
Cc1cnc(NC(C)(C)CN)cc1B(O)O	2212604323	OBDKXHPUAXMSRW-UHFFFAOYSA-N	223.085	-0.781	50	10	BBGE	
OB(O)c1ccc(NCc2cscn2)nc1	2212613449	VTRLTKXNFMWPAP-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@@H]1C[C@H]1CCN(C)c1ncncc1B(O)O	2215322571	WLRKTYDZKAHMGK-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)CCCC1=O	2215771880	KLSQXOFMCJEQIJ-JGVFFNPUSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC=C(CO)CC1	2215772484	OIKWJADTKPSXLC-MNOVXSKESA-N	239.319	-0.373	50	10	BBGE	
Cc1cc(=O)n(CC2(C(=O)NN)CCC2)cn1	2216534286	MCTQWIAMZIHDPM-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
C[C@@]1(O)CON(CC2(C(=O)NN)CCCC2)C1	2216882456	ZQWUXIIYYPGQIA-JTQLQIEISA-N	243.307	-0.465	50	10	BBGE	
C[C@@]1(CO)CCCN1c1cc(B(O)O)ccn1	2217176139	RULPMOYRIXWAGM-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1Nc1cc(B(O)O)ccn1	2217178155	SBOSMSPXQOMAOC-IUCAKERBSA-N	236.080	-0.667	50	10	BBGE	
C=CC[C@@H](CO)Nc1nccc(B(O)O)c1F	2217180800	KZKCNBNXRTYCPW-ZETCQYMHSA-N	240.043	-0.751	50	10	BBGE	
OB(O)c1ccc(=NCCOCC2CC2)[nH]c1	2217184964	SUNUFYCBQIGMEM-UHFFFAOYSA-N	236.080	-0.978	50	10	BBGE	
C[C@@]1(COc2cc(B(O)O)ccn2)C=CCN1	2217188146	KJTSWZOAUMVDEX-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1cnc(NC2(C3CCC3)CC2)nc1	2217198306	ZLBSSCDMFVLPTO-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
CC1(CCNc2cc(B(O)O)ccn2)CNC1	2217202390	WBXLYAGLIPXJJD-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
C[C@@H]1COCC(=O)N1Cc1cccc(B(O)O)c1	2220065544	ZTZQLAOWLKLBFT-SECBINFHSA-N	249.075	-0.886	50	10	BBGE	
Cc1cnc(N2CC=C(CO)CC2)cc1B(O)O	2223649076	TXRNXVGLACXMLV-UHFFFAOYSA-N	248.091	-0.801	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@H]3CNCC[C@H]32)c1	2223670341	WODMETINXPMQIM-OUAUKWLOSA-N	247.107	-0.971	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@]23CCOC3)[nH]c1	2223670761	CFPCDSQOFVJFEC-BXKDBHETSA-N	248.091	-0.978	50	10	BBGE	
C=C1CCC(Cn2cc(B(O)O)cnc2=O)CC1	2224026028	SCDWICPZFXOWJF-UHFFFAOYSA-N	248.091	-0.331	50	10	BBGE	
CO[C@@H](C)CNS(=O)(=O)N1CC(Cl)C1	2241332715	XATOVQFBVCNXET-LURJTMIESA-N	242.728	-0.221	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2242807335	DVFNXJNTLXIQEZ-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
CCN(CC)C(=O)c1ccncc1B(O)O	2243348836	APQCPDHRIJVHDL-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
CN(CC(C)(C)CCF)C(=O)C#CB(O)O	2243356680	LLRSMIZBHLXIAP-UHFFFAOYSA-N	229.060	-0.154	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2243362124	MNMMPCLSSCNEPN-SCSAIBSYSA-N	231.995	-0.922	50	10	BBGE	
O=C(N[C@H]1C(F)(F)C12CC2)C1(B(O)O)CC1	2243365506	NNOJTGIEUMJYGW-RXMQYKEDSA-N	231.007	-0.093	50	10	BBGE	
C=CCONC(=O)c1cc(C)c(B(O)O)s1	2243366733	IAUFXZAIBLDLKM-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@H]2C[C@@H]2C1	2243377102	USZQWWWYYKIFIF-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
CC1(C)CN(C(=O)c2cc(B(O)O)sn2)C1	2243378043	LQHDHICXPMGMQU-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
COCC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243390870	CIOOKYDGKOMBKU-PEBLOWIWSA-N	227.069	-0.610	50	10	BBGE	
O=C(NCCNC1CC1)C1(B(O)O)CCC1	2243397505	CKVORXZDIRCMKO-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)C1(B(O)O)CC1	2243397852	KGZXGEKMBBQWPJ-MRVPVSSYSA-N	231.032	-0.762	50	10	BBGE	
CC[C@H]1CCN(C(=O)C#CB(O)O)CCO1	2243397997	AHTJNYDDEPVASJ-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ncsc1B(O)O	2243408155	IEOSVYLSEUKDPG-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
C=C(C)CNC(=O)c1ncccc1B(O)O	2243408315	KYDHWOJAKMZVOD-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCO[C@H]2C[C@H]21	2243416748	MLAPUVRIWDTWLI-XAVMHZPKSA-N	225.053	-0.761	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@@H]1CCO1	2246210830	PSZOFOHXOWTYOJ-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	2246606828	OHSYUDXKZBQILN-RNMOGIQJSA-N	237.259	-0.993	50	10	BBGE	
O=C(N(CCCO)C1CC1)C1(B(O)O)CCC1	2247733699	OYDUVFGNRPGGFY-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]1CF	2247735933	QHNUEGJBWGAVJF-QMMMGPOBSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2247737873	LFXCGEZTEBBRFO-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1B(O)O	2247752805	WESVALGKQHYJQD-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
CC(C)CNC(=O)c1ncc(B(O)O)cc1F	2247757440	QXGRBJVRMPOVDI-UHFFFAOYSA-N	240.043	-0.714	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2247759188	YVDPAPJYUVMOKK-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@@H]2C)c1B(O)O	2247789394	VNKOCFFRWRQVCZ-QMMMGPOBSA-N	234.064	-0.696	50	10	BBGE	
C[C@H]1NCCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790314	GTDMNNYKNKYSGM-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@H](B(O)O)C1	2247793310	WYPBXNHLQKZXQK-GRDBIXFFSA-N	239.080	-0.325	50	10	BBGE	
O=C(N[C@@H]1COCCC1(F)F)[C@@H]1C[C@H]1B(O)O	2247797575	KYZRQBANXBCLDM-FSDSQADBSA-N	249.022	-0.610	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)C2CC(B(O)O)C2)C1	2247798926	YIJRJAJZBAFSOA-NWGYLPEXSA-N	240.112	-0.563	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2COC[C@@H]21	2247799686	GWMPMNZKEDVXAO-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247808765	WCAOHHYEDGHZNK-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(C1CCC1)C1COC1	2247809295	OTRCCXYRCWRBCA-UWVGGRQHSA-N	239.080	-0.371	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1CNC2	2247852443	URXNSCDCAXIUED-UHFFFAOYSA-N	230.032	-0.756	50	10	BBGE	
O=C(NCC(F)F)c1ccc(F)cc1B(O)O	2247857969	ZVXHVRCZMYDZKF-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)c(F)c1	2247868268	RNRPDMZYCKDSMT-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247872350	QWPVRKOCFJBEPU-LDYMZIIASA-N	238.096	-0.667	50	10	BBGE	
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2B(O)O)ccn1	2247887020	JIEVZINCVRVEIS-RKDXNWHRSA-N	231.020	-0.245	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@@H]1B(O)O	2247897933	YNRYQJMPZPINGM-KATARQTJSA-N	241.096	-0.483	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C(=O)[C@H]2CCC[C@@H]21	2247909490	JYIUOJDNDKUCCG-PEBLOWIWSA-N	237.064	-0.223	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cc2O)CC1	2247960838	APTKVQAAWYYRFK-UHFFFAOYSA-N	235.048	-0.646	50	10	BBGE	
C[C@](NC(=O)[C@@H]1C[C@@H]1B(O)O)(C(=O)O)C1CC1	2248585516	MYFDSQVSYBTBLH-MATHAZKKSA-N	241.052	-0.781	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1cc(B(O)O)co1	2249409242	TYLUWSMULHXPKZ-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
C[C@]12CO[C@](C(=O)NCCC#CB(O)O)(C1)C2	2249998806	NMGWIFMNJKSORE-PHIMTYICSA-N	237.064	-0.923	50	10	BBGE	
O=C(Cc1cccnc1)NCCC#CB(O)O	2249998861	ODKGCOJGZHUBEZ-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
CCC(=O)NCc1ccc(OC)c(B(O)O)c1	2253235428	QZVKMLDQAHSHNL-UHFFFAOYSA-N	237.064	-0.599	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@@H](C2)C1	2255467828	RZCQXTZMDBFDAZ-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
Cc1ncnc(C)c1CNC(=O)C1(B(O)O)CC1	2255487345	NQXBREOZLZWRHT-UHFFFAOYSA-N	249.079	-0.283	50	10	BBGE	
C[C@@H](NC(=O)c1ncncc1B(O)O)C1(C)CC1	2255505303	OFOGOECCVPNSMX-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
NCc1ccccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2255572495	YZCNBAPQGVVIMA-WDEREUQCSA-N	248.091	-0.376	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)cc1C	2255683605	YYCRIUMDGBURBH-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1coc(B(O)O)c1	2255718612	CCJLJNGARMWAOG-SECBINFHSA-N	249.075	-0.121	50	10	BBGE	
O=C(NCCc1ncccn1)C1(B(O)O)CCC1	2255742265	IPOGCZJFVQIAIK-UHFFFAOYSA-N	249.079	-0.468	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]1C1CC1	2258150668	DVKBHDUGLJHJSN-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
C#CCCC(=O)NCc1ccc(B(O)O)c(C)c1	2260827459	QNLULYIJDGBTMS-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]21	2298166509	SESYBWLCVNDDDK-QHZLYTNSSA-N	239.319	-0.542	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368590	NJBGGXHVCFBDQL-UJZKVOLQSA-N	239.080	-0.467	50	10	BBGE	
CC(C)[C@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369773	FFFQXHRWUJSLST-KXUCPTDWSA-N	240.112	-0.694	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298376953	YWOXCLBWZJBMSI-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@H]1O2	2298633095	FGCPYAXASLHHAA-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300370785	NHKOXMPWOVYUJL-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
N#CCN(CC#N)CCC[C@H]1C[C@H]1C(=O)NN	2300397975	WRGBLRFLHTWCBY-VHSXEESVSA-N	235.291	-0.258	50	10	BBGE	
CO[C@@H]1CC(OC[C@H](C)C(=O)NN)C[C@H]1OC	2301612425	VTCOUUAXZWAGAA-FXBDTBDDSA-N	246.307	-0.179	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(CC(N)=O)C1	2302061761	VQTPIELISSKRQP-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302401956	QFIAKUJROLPHPH-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
OB(O)c1cc(N2CC(C3CC3)C2)ncc1F	2303834656	JRUQRIHAMTZIKH-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1cc(B(O)O)c(F)cn1	2303836319	KWHRMUBHJIFOQU-XPUUQOCRSA-N	242.034	-0.305	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)[C@H]1C	2304202681	FPSKDJGOZKBDLZ-KYXWUPHJSA-N	245.323	-0.918	50	10	BBGE	
NC[C@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317310057	YRVYRLGBGCJKEJ-PRHODGIISA-N	248.091	-0.672	50	10	BBGE	
CC[C@H](C)NC(=O)C(C#N)=CNCC(=O)O	2324652099	ABCQJZFCOPUFNB-ZETCQYMHSA-N	225.248	-0.017	50	10	BBGE	
C[C@@H](Br)C(=O)N(CCO)CCO	58840231	UHGQDWNEMHWOBS-ZCFIWIBFSA-N	240.097	-0.417	50	10	BBGE	
CCOCCCN[C@@H](C)CC(=O)NN	58844581	FXRUBTYNRJCCRO-QMMMGPOBSA-N	203.286	-0.229	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	82471424	QOZMYPWQPNATFQ-YFKPBYRVSA-N	228.212	-0.627	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](C)[C@@H](C)C(=O)NN	93072146	YTXXCSHJPJJNIM-RKDXNWHRSA-N	244.339	-0.541	50	10	BBGE	
COc1cc(C(N)=O)ccc1OCC(=O)NN	104121108	CFTJOKAEEGDSHU-UHFFFAOYSA-N	239.231	-0.837	50	10	BBGE	
NC[C@H]1CCN(Cc2ccoc2C(=O)NN)C1	110577660	XPJKRTFYOBZJHJ-MRVPVSSYSA-N	238.291	-0.336	50	10	BBGE	
O=C(O)C[C@@H](CO)CNC(=O)C(Cl)Cl	170310541	AYQKBQRGUNEXLH-SCSAIBSYSA-N	244.074	-0.011	50	10	BBGE	
NCCCN(C=O)C(=O)C(=O)NCCCCl	170359285	QMROECHEDBJUIZ-UHFFFAOYSA-N	249.698	-0.935	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)Cc1ccccn1	186113411	KLSAEFPDEDCPMG-VIFPVBQESA-N	246.270	-0.024	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H](N)C(C)C)B(O)O	213690285	DPVYMNCQRPIQEA-IUCAKERBSA-N	230.117	-0.343	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](CNC)C1	216484430	NRJXFNHCLWHTPD-UWVGGRQHSA-N	228.340	-0.314	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC(N)CC2)n1	236225594	HLQVKGZXHCDZIB-UHFFFAOYSA-N	249.318	-0.392	50	10	BBGE	
Cc1ccc2c(=O)c(C(=O)NN)c[nH]c2n1	238512603	DFMJJGUCZBBXTD-UHFFFAOYSA-N	218.216	-0.165	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)OC[C@H]1C	251286848	GZYHYCKBSXWOMD-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
N#C[C@@H](O)c1ccccc1N1CC(=O)NC(=O)C1	260634815	OZVGHCJRDGQITK-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
CC1(C(=O)NNC(=O)Cc2ccccn2)COC1	272943630	WBIUAJZGTIUDNM-UHFFFAOYSA-N	249.270	-0.192	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)C[C@H]1O	299918716	VHVIYFFRSBSRTR-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)CCN1C	300021876	XMUPUOCBFDAPPH-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC1(C)CN(Cc2ccc(B(O)O)cc2)C1	382615185	OZAANXDTYFLOBV-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
CCOC[C@](C)(O)C(C)=NNC(N)=O	389055559	ZDTAHIYCQXATRN-QMMMGPOBSA-N	203.242	-0.182	50	10	BBGE	
CNC(=O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395826284	XEEHOSCHIRQSOD-MRVPVSSYSA-N	230.312	-0.931	50	10	BBGE	
Nc1ccc2sc(B(O)O)cc2c1CO	396236641	BNRZWULZKYRRCN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1sc2cc(B(O)O)ccc2c1C(=O)O	396236928	FAVHORDRLGNJNE-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1sc2cccc(B(O)O)c2c1C(=O)O	396240030	JUEXFUIAWVAFOV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1sc2cccc(O)c2c1B(O)O	396391034	YISJQPUTXSSWII-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H]1C[C@H](N(C)[C@H](C)C(=O)NN)CO1	401526687	OKCXCVCHJSQRAJ-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
COCCC(=O)Nc1ccc(F)cc1B(O)O	405006624	NFBXCWKFGHBDLI-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
NC(=S)NNC(=O)c1cnsc1	606276414	YUWXAUFCFJVRKD-UHFFFAOYSA-N	202.264	-0.379	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(C)CCOC1	687519935	RXWMFDFANXALOZ-VIFPVBQESA-N	201.270	-0.665	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CO	688738647	PNLTZDIRAVDTKO-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2COC[C@H]2C1	690721498	GKSUMXCGVUUPSY-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@@]1(C)CO	694663849	XSCUOKSARKNIDN-WPRPVWTQSA-N	215.297	-0.683	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@H]3COC[C@H]23)CC1	709389862	ICSNBZMPAXODPJ-IUCAKERBSA-N	236.271	-0.244	50	10	BBGE	
C[C@@H](C(=O)NCB(O)O)[C@@H]1CCCCO1	711862624	WRRSALACKNRVEE-SFYZADRCSA-N	215.058	-0.680	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(B(O)O)c(F)c1	713941915	PMQMBNQDZHTGLN-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721778249	PMKBLVVIPVFOEV-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CN(NC(=O)c1ccc2nnn(C)c2c1)C(N)=O	755706989	JOYCRXZWXCUGBB-UHFFFAOYSA-N	248.246	-0.376	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	780907041	FJDCJSQLQQCANH-PRJMDXOYSA-N	227.264	-0.238	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)CO)C[C@@H]2C[C@@H]2C1	857171223	WABNVYPMKDNXPS-MTBHXBHISA-N	212.249	-0.438	50	10	BBGE	
O=C1N[C@@H](Br)CN2CCN[C@H]12	952958914	OVDZRLBXCHOZEN-UHNVWZDZSA-N	220.070	-0.932	50	10	BBGE	
C[C@@H]1N[C@H](NCCCl)C[C@@H]2NNC(=O)N21	953055356	FOWVDHSAXKRXIF-DSYKOEDSSA-N	233.703	-0.664	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@@H]1COC(=O)C1	1141855448	PCKSKBXKBNTICB-YUMQZZPRSA-N	230.264	-0.717	50	10	BBGE	
Cc1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1	1141884332	IIHZINNJJSWIKZ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COC[C@@H]1F	1253594529	SYDSLUMNWPRWLS-WDSKDSINSA-N	231.676	-0.119	50	10	BBGE	
CN(C)C1(C(=O)NNC(=O)C(C)(C)O)CCC1	1634250267	XGAZUVZMWSRGHC-UHFFFAOYSA-N	243.307	-0.611	50	10	BBGE	
COC(=O)NNC(=O)c1ccc[n+]([O-])c1	1641088068	UIWXGVOETLQWJO-UHFFFAOYSA-N	211.177	-0.679	50	10	BBGE	
C[C@H](COCC(=O)NN)NC(=O)OC(C)(C)C	1880029260	ARLOYQYTSOLTSY-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
NS(=O)(=O)CCNCC1CC(Cl)C1	1883649091	LAQZNSMTVCRARN-UHFFFAOYSA-N	226.729	-0.118	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1CC(=O)NN	1885841523	HBPOVKDUUXWRFK-VXNVDRBHSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](Cl)C(=O)[C@H](N)CS(C)(=O)=O	1886387863	RJSAMGARAXWZDB-CRCLSJGQSA-N	213.686	-0.445	50	10	BBGE	
COC[C@@H](NC(=O)NN)C(F)(F)F	1887093572	DBKJOSZNNXYQTG-GSVOUGTGSA-N	201.148	-0.263	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@H]2Cl)COC1	1893462586	ZVYMROKVEQZONR-NKWVEPMBSA-N	218.684	-0.295	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(C1)OC[C@@H](O)[C@H]2O	1896137880	PBULZQNYTMSFHG-BWZBUEFSSA-N	249.694	-0.806	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1CCCC(=O)NN	1899736467	USBNCKWKFZBRFS-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
CN(CCCO)CCC[C@H]1C[C@H]1C(=O)NN	1900526056	ICPVEPYQDFBTQB-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NNC(N)=S)O1	1900922211	LJGBAUXEFFZRNI-RITPCOANSA-N	217.294	-0.192	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H]1CC[C@H]2N)S(C)(=O)=O	1901344754	VWXOJGLRTSWCJU-ZXFLCMHBSA-N	247.320	-0.964	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@H]1C1CC1	1902508108	JFZFSCUXOQBZAH-ZJUUUORDSA-N	221.065	-0.446	50	10	BBGE	
COCCCOCCN1CC[C@H](B(O)O)C1	1902515857	MRFCEEAWIKNMJO-JTQLQIEISA-N	231.101	-0.412	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H](F)[C@@H]2CCOC2)C1	1902546429	OCOYSXOOSKRDQF-BBBLOLIVSA-N	231.076	-0.090	50	10	BBGE	
COC[C@H](CCCl)NC(=O)Cn1cnnn1	1902911785	CLHACSZYAGVVTA-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CCC[C@@H](C(=O)O)O1	1909760560	AGQGMAIBOMGKEV-YUMQZZPRSA-N	245.279	-0.216	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NNC(C)=O)[C@@H]1C	1909987710	LFZBGKDMWWBVCS-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)CCN=S1(=O)CCCC1	1913894733	QBHIOZHNXWMBKG-UHFFFAOYSA-N	205.283	-0.372	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOCC12CC2	1915591531	ALOBTGJXPBVHCU-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
NNC(=O)CCCCN1CC[C@](F)(CO)C1	1917100825	NREZIORVMFFSPA-SNVBAGLBSA-N	233.287	-0.447	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2C[C@H]1CO2	1927906680	CDNLUZMDIJHIKK-XGEHTFHBSA-N	211.265	-0.915	50	10	BBGE	
CC[C@]1(C(=O)NCB(O)O)CCCO1	1929038705	SFUGLRSHIPJSEX-MRVPVSSYSA-N	201.031	-0.926	50	10	BBGE	
COC[C@@H]1[C@H]2CCN(CC(=O)NN)C[C@@H]21	1930162994	BLOFTHGSGFZFJM-XHNCKOQMSA-N	213.281	-0.809	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@@H](O)[C@H]2C1	1931418616	GANMVLLCTFHDHK-UYXSQOIJSA-N	205.685	-0.101	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3OCC[C@@H]32)CC(=O)O1	1931660746	IKNOSPLRHQHOOX-BWZBUEFSSA-N	211.217	-0.451	50	10	BBGE	
CN1C[C@@H](O)[C@H](N2C[C@@](C)(CCl)C2=O)C1	1931726048	ONZZPLNYJMWTDI-NQMVMOMDSA-N	232.711	-0.251	50	10	BBGE	
Cn1nnnc1CN1C[C@@](C)(CCl)C1=O	1931729803	LXNSLEYQWGFWJI-MRVPVSSYSA-N	229.671	-0.203	50	10	BBGE	
CC12CC(C1)N(CCOCC(=O)NN)C2	1932879035	UOZYZJGXMCJYMK-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
COC(=O)NCc1scc(C)c1B(O)O	1935196440	DTQMMXWAAOXOLX-UHFFFAOYSA-N	229.066	-0.408	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)CC(F)(F)C(=O)NN	1935935082	IFKFHOSRCFWVGC-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
OB(O)c1cc(CN2CCCO2)ccc1F	1937139954	XMRGCTCKFQHKMF-UHFFFAOYSA-N	225.028	-0.357	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941094929	PXNYNAYTNZRCJY-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@]2(CCCO2)C1	1941394546	RKIARYNAOGJCFR-FOGDFJRCSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](C(=O)Nc1ccccc1B(O)O)N(C)C	1946128948	HCUUMBZRUBFFIG-MRVPVSSYSA-N	236.080	-0.745	50	10	BBGE	
Cc1nn(C[C@@]2(C)CCCO2)c(C)c1B(O)O	1947436584	NVPILVMPZIVZPL-LLVKDONJSA-N	238.096	-0.251	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)C[C@@H](O)CCl	1955445619	IIEHKTAVFXALBN-CIUDSAMLSA-N	225.716	-0.350	50	10	BBGE	
OB(O)c1cnc(OC2CC2)c(Cl)c1	1956968932	LZUMWMRRBHGPSW-UHFFFAOYSA-N	213.429	-0.044	50	10	BBGE	
NNC(=O)CN1CC[C@H](O)CC12CCC2	1961240567	XCKDGKIGEGUURN-QMMMGPOBSA-N	213.281	-0.644	50	10	BBGE	
CCCN(C)c1nccc(C)c1B(O)O	1961691449	OOFSEGQYQYDNFK-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CCC[C@H]32)n1	1961718822	ULJZHAVCAWSFJY-RNFRBKRXSA-N	224.094	-0.188	50	10	BBGE	
OB(O)c1cnc(N2CCCC2)c(F)c1	1961719088	YCQWSJFJKIOQFZ-UHFFFAOYSA-N	210.017	-0.499	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCCC12CC2	1961988599	AZQMGFDIJDKDJE-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
C[C@H]1C[C@H](C(=O)N2CCC(B(O)O)CC2)CO1	1971372987	PTMHORCGMRELNE-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccc(OCS(C)(=O)=O)c(B(O)O)c1	1978303075	KTJUIDUSAUBLIJ-UHFFFAOYSA-N	244.077	-0.944	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@H]1CCO	1981406620	GOQUPUDJCYFJDK-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H]3C2)c1B(O)O	1981413672	JKJBNGIDTXMGPI-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H]2C[C@@H]2CO)[nH]1	1982118202	XSRMMTIHQOANPU-PHDIDXHHSA-N	243.698	-0.515	50	10	BBGE	
CC[S@@](=O)NCCc1cccc(B(O)O)c1	1984070167	VABJNRFUWBHPRP-MRXNPFEDSA-N	241.121	-0.818	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1OCC[C@@H]1F)C(=O)NN	1984337020	FUKDISCOODBKDO-VGMNWLOBSA-N	233.287	-0.329	50	10	BBGE	
CC(C)(CN1CC2(CC[C@@H]2O)C1)C(=O)NN	1984542236	IORPDNDOVJCMMY-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
CN(C)[C@H]1C[C@H](OC[C@@H]2C[C@@H]2C(=O)NN)C1	1986221510	PKNHZBMOFUCBGU-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
NC(=O)N[C@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991647859	JDAWYCLMXGWFEX-LURJTMIESA-N	245.666	-0.423	50	10	BBGE	
C=C(CN(C)Cc1c(C)ncn1C)B(O)O	1992167005	CDSNUNICNUCFNV-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
CN(CC12CC(C(=O)NN)(CO1)C2)C1CC1	1993891998	XXKRCUVKZPZPDO-UHFFFAOYSA-N	225.292	-0.380	50	10	BBGE	
CC[C@@H]1CN([C@@H](CC)C(=O)NN)C[C@@H]1CO	1994832354	DNJRXEQGMPOULT-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)[C@H](C)C1	1998400820	KVOICXJHOZZQLW-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999844909	BKQQUXQIHZKXPR-UNQZSWDGSA-N	241.335	-0.296	50	10	BBGE	
CO[C@@H](C)CN(C)c1ccc(B(O)O)c(C)n1	2005017769	JVLGRMOGFVDNPI-QMMMGPOBSA-N	238.096	-0.459	50	10	BBGE	
COCC1CN(c2ncc(B(O)O)cc2C)C1	2005018886	ZUYWJDZUYAEXSS-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
CCOC1(CO)CN([C@H](C(=O)NN)C(C)C)C1	2005154310	WJDDMJWOSDKEEK-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
N#Cc1cncc(OCCOCC(=O)NN)c1	2007700280	GEUREBAQWAWNNH-UHFFFAOYSA-N	236.231	-0.661	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cncc(C(=O)NN)c1	2011375636	WKFOGONAIQIURW-XVKPBYJWSA-N	236.275	-0.750	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901380	YJJLXIATLWGDKF-RCZSTQMZSA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1ccccc1CN1CCOCCO1	2021408410	BCFHMDPMLIPZIX-UHFFFAOYSA-N	237.064	-0.870	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	2022543264	FIHHCBTZGWHZJN-NXEZZACHSA-N	235.092	-0.180	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)C1(F)CC1	2025670835	VHPIWTOCLAWJJR-UHFFFAOYSA-N	241.002	-0.054	50	10	BBGE	
COC[C@H](C)COc1ncc(B(O)O)cc1C	2026074907	QFAHDIGAGPQETG-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C[C@H]2C[C@@H]2C)n1	2052620736	XMFRKIXLYKIMCI-OIBJUYFYSA-N	249.123	-0.135	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2058060962	UQEMXDHHZLDTRM-OUAUKWLOSA-N	248.091	-0.625	50	10	BBGE	
Cc1ccc(C#N)c(B(O)O)c1[N+](=O)[O-]	2060308019	SYSJQXYLZAWIEK-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
COc1cc([N+](=O)[O-])c(C)cc1B(O)O	2060380577	KCMMMYRMGXXPPG-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CO[C@H]2C[C@@H]1C2	2063131324	ZYLASIKPFVRYHL-NGZCFLSTSA-N	248.091	-0.625	50	10	BBGE	
CC(C)[C@@H](C)Cn1cnc2c(B(O)O)ncnc21	2068991513	OOZYMZHWTFVUEH-QMMMGPOBSA-N	248.095	-0.202	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2[C@@H](O)CCC[C@H]2C1	2210417877	MGGFWHIGVBAVTA-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
CCCNCCNc1ncccc1B(O)O	2212601780	SUPVMACSVRKEOV-UHFFFAOYSA-N	223.085	-0.827	50	10	BBGE	
C#CCCCCOc1ncc(B(O)O)cn1	2212609269	PFFWRUOHCUAWPH-UHFFFAOYSA-N	220.037	-0.661	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2212614638	FWDFTAHVXHKEMS-WPRPVWTQSA-N	222.053	-0.649	50	10	BBGE	
CC(C)[C@H](CO)Nc1ncccc1B(O)O	2212614902	ICMQVTQPXMSRFY-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
CN[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214596904	SDORDAYWDIIIGK-LBPRGKRZSA-N	234.108	-0.840	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2215132950	ISRINPNCGGBCQT-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
CN(CC1CC(O)C1)C[C@H]1CC[C@H]1C(=O)NN	2215775624	HZUQDXUSWRNNIT-VGRIYTJTSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN(CCO)CC1CC1	2215776038	KLDGEQJBYIMYMO-GHMZBOCLSA-N	241.335	-0.293	50	10	BBGE	
C[C@]1(CO)CCCN1CC1(C(=O)NN)CCC1	2216493988	QAQVBIYFVPHMIU-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
C[C@@]1(Nc2ncccc2B(O)O)CCCOC1	2217177503	JSCXMTQDASTNGK-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3C[C@H]32)c1F	2217181469	QFNNCHBKELYHSX-IONNQARKSA-N	236.055	-0.111	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)c1ccc(B(O)O)cn1	2217183760	KVQLEKCQHWCWLT-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
CCNC[C@H](CC)Oc1ccc(B(O)O)cn1	2217189276	AQZGOUFPHCRUJO-JTQLQIEISA-N	238.096	-0.472	50	10	BBGE	
C[C@H]1C[C@H](COc2cc(B(O)O)ccn2)CN1	2217192137	WCFFHPXUISBGBA-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cnco1	2217197414	MESZFUVKNARACV-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
CC[C@H]1C[C@@H](Nc2ncccc2B(O)O)CO1	2217198894	HRESAXYBWAKHKZ-BDAKNGLRSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cnc(NC2CC(=C3CC3)C2)nc1	2217199075	AJAUQQDPLFNILB-UHFFFAOYSA-N	231.064	-0.179	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N(C)C)C2)cc1B(O)O	2223641300	SICJKPTWALOHMK-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H](C)CN1	2223648765	PMIFSWFZYIEDJI-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
Cc1cnc(NC[C@]2(C)CCCN2)cc1B(O)O	2223651644	YCYGEHFVRXYNIT-LBPRGKRZSA-N	249.123	-0.376	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H](N)C2(C)C)cc1B(O)O	2223653924	VVTZBRYDXAUHBI-ZJUUUORDSA-N	249.123	-0.392	50	10	BBGE	
N[C@H]1CCCCC[C@H]1Nc1ccc(B(O)O)cn1	2223669789	OLNYXBYRZQGNLT-WDEREUQCSA-N	249.123	-0.167	50	10	BBGE	
OC[C@@H]1CCN(c2ncccc2B(O)O)C12CC2	2223670380	WZRJMRJICDVPCI-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
N[C@H]1CCN(c2ncccc2B(O)O)C2(CC2)C1	2223673652	GXAGBMCHMLBAIY-VIFPVBQESA-N	247.107	-0.779	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@H]1CCCNC1	2223676854	GRTUVTDSVZSERO-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CCC(C)(C)NC(=O)c1coc(B(O)O)c1	2243346825	DHBNRYOZXPAMQY-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
O=C(Nc1cc[nH]n1)c1ccc(B(O)O)s1	2243349334	JTGAAHOJVDIATC-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)o1	2243356753	MLSHJSOTIKNKFZ-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CCCN(CCN)C(=O)C1(B(O)O)CCC1	2243363918	OIJGNYNVJATMLC-UHFFFAOYSA-N	228.101	-0.419	50	10	BBGE	
CC(C)c1cc(B(O)O)cc(C(=O)NN)c1	2243376518	LDKWCQISHNIUOF-UHFFFAOYSA-N	222.053	-0.907	50	10	BBGE	
CC[C@H]1CCOCCN1C(=O)C#CB(O)O	2243400021	UTIGLGLZIWGXGR-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(N1Cc2ncsc2C1)C1(B(O)O)CC1	2243409144	BULPBJIYZCFIHC-UHFFFAOYSA-N	238.077	-0.008	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)nn1	2243427020	OZOWODSJEQEQQF-IZLXSQMJSA-N	224.029	-0.993	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2243427674	YYSFUZOBESFXGA-LJGSYFOKSA-N	223.041	-0.388	50	10	BBGE	
CC#CC(=O)Nc1cc(Cl)ccc1B(O)O	2243675474	WZYSPGFTOUYQLS-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
C[C@H](CF)N(C)c1ncc(B(O)O)cc1F	2244148396	PDYQCHVSYKIXPM-ZCFIWIBFSA-N	230.023	-0.305	50	10	BBGE	
Cc1cc(C)c(NC(=O)C#CB(O)O)cc1O	2247747864	ULTIEZCPHDDCJT-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1N	2247754316	FIQGFVXFEAFGMX-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1cc(B(O)O)n[nH]1	2247783536	GWQWTCOUYSHCSS-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247789995	DPXJMDRMZQKFLJ-OPRDCNLKSA-N	243.112	-0.237	50	10	BBGE	
CNCCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)C	2247797899	OEUYVFIZFHHRID-MGCOHNPYSA-N	242.128	-0.304	50	10	BBGE	
CN(CCn1cccc1)C(=O)[C@H]1C[C@@H]1B(O)O	2247800612	QRNDMFSPVSINRV-UWVGGRQHSA-N	236.080	-0.191	50	10	BBGE	
CC1(C)CCOCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247803879	DMXIABQCROBRPD-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247805334	BIWXBXXGRMOVJK-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
C=C[C@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2247870655	NMMGFXGYYLDADD-JTQLQIEISA-N	239.080	-0.467	50	10	BBGE	
CC1(C)C[C@H](CO)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247887831	SCANVGURSGVZSM-HRDYMLBCSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894553	IADHMHKUACCBLK-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
CN1CCC(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247896766	KCMJGFNSVCSIDZ-NXEZZACHSA-N	240.112	-0.693	50	10	BBGE	
O=C1C[C@H](C(F)F)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247899248	LSSVCFXIBVYXTA-KVQBGUIXSA-N	247.006	-0.511	50	10	BBGE	
CC=CC(=O)Nc1ccc(OC)cc1B(O)O	2248397547	MFQNWEQBUIFREF-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ccnc(B(O)O)c1	2248443181	ZGSIQSKFVVZMSX-MRVPVSSYSA-N	232.048	-0.641	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1CCCC1	2249415379	DDJVTAZTAYBQEF-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CCC[C@H]21	2249998421	IRLNHKXCHLEOIM-GMTAPVOTSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2250993255	KIXSWNXBWBLOBF-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1ccoc1B(O)O	2255464916	CMVDTUVPBPLBTH-MBTKJCJQSA-N	249.075	-0.265	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255472162	CWMIJDAFIZCZBK-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1cc(B(O)O)c[nH]1	2255472585	GRZAQDVQBDFJLH-UFBFGSQYSA-N	246.075	-0.467	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@H]2CCC[C@@H]21	2255554727	QDFITHQHACFJGY-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
Cc1cnc(C(=O)Nc2cn[nH]c2)c(B(O)O)c1	2255555595	DARDCYJJEAKNLB-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2255569435	WEADGBKKVOKYBD-IUCAKERBSA-N	249.079	-0.051	50	10	BBGE	
CN(Cc1ccc(=N)[nH]c1)C(=O)[C@H]1C[C@H]1B(O)O	2255571513	PKLQKAWBKFUQST-DTWKUNHWSA-N	249.079	-0.685	50	10	BBGE	
Cc1ncccc1NC(=O)c1cc(B(O)O)c[nH]1	2255670389	FNYGCWRMLXRUOS-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1coc(B(O)O)c1	2255723785	IVQJWBOKTTZSAY-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1C[C@@H]2C[C@H]2C1	2255735012	LECGRTAWRAKSFD-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1[C@@H]2CCC[C@@H]12	2258139295	VFLNPYOPYQHXDQ-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
CC(=O)NC(=O)C(C#N)=CN1CCOCC1	2297564292	INLAQEBZWUGXQT-UHFFFAOYSA-N	223.232	-0.611	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	2298368855	AMJMUBAPYZHTRA-RXKWGBCNSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369137	KPENTUHOPLDZGF-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CO	2298369639	AJUCCGCEVGXRMF-QEYWKRMJSA-N	241.096	-0.674	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCOC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298371398	KNWUYUISHVVZPF-CVPUBMOQSA-N	239.080	-0.752	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)C1(B(O)O)CC1)C2	2298375028	MYIRMEGRAQMYPJ-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377618	YAPLUJFLOOMCFC-DOLQZWNJSA-N	241.096	-0.533	50	10	BBGE	
NNC(=O)CCCCCCN1CC(F)(CO)C1	2300629610	ITQZZBCINHZUJH-UHFFFAOYSA-N	247.314	-0.057	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2N(C)C	2302401958	QFIAKUJROLPHPH-VPOLOUISSA-N	240.351	-0.221	50	10	BBGE	
CC[C@](C)(CN1CCOCCC1=O)C(=O)NN	2303439475	UMUPBEWQLBMGPG-LLVKDONJSA-N	243.307	-0.359	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC[C@H](O)C2)ncc1F	2303834755	LIRYMWUEKZBGBF-BQBZGAKWSA-N	240.043	-0.774	50	10	BBGE	
CCN(CCCO)c1cc(B(O)O)c(F)cn1	2303847295	GYQZBOGEVPAOKM-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
CC(C)[C@H](N)COc1cc(B(O)O)c(F)cn1	2303859403	VZCQJBCILBFRKZ-SECBINFHSA-N	242.059	-0.737	50	10	BBGE	
CCC(=O)N(C)C1CN([C@H](CC)C(=O)NN)C1	2307301300	FNTUDRQGSJDCHS-SECBINFHSA-N	242.323	-0.693	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@H]2C3)n1	2309543835	GXDZDDHPGQKHPI-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1ccc(N2CCN[C@@H]3CCC[C@H]32)nc1	2319230144	AEFUOJHAGJYBCW-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
O=C(CBr)Nc1nnn[nH]1	41697255	OJYWLSARWBTAAU-UHFFFAOYSA-N	206.003	-0.467	50	10	BBGE	
NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCCl	70911682	OHEBYJFYYXWQMC-NKWVEPMBSA-N	234.683	-0.548	50	10	BBGE	
Cn1c(C(=O)NN)nc2cc(C(N)=O)ccc21	75848616	MYWVZHAPTFKWNZ-UHFFFAOYSA-N	233.231	-0.724	50	10	BBGE	
NNC(=O)CCCOC[C@H]1CCOC1	82465629	VCIOEGIUVNBDCP-MRVPVSSYSA-N	202.254	-0.190	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCC2)O1	82466035	RWFQMLZCLHCJBS-RKDXNWHRSA-N	213.281	-0.380	50	10	BBGE	
CC(C)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	82466238	DTPKVFXCLDMXPY-RKDXNWHRSA-N	215.297	-0.136	50	10	BBGE	
COCCCN(C)CCCC(=O)NN	82469225	PMDWZVBCNGFKTC-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
NNC(=O)c1cccn(C[C@H]2CCCO2)c1=O	82664493	UCOGSPCUWTXUJU-MRVPVSSYSA-N	237.259	-0.369	50	10	BBGE	
CCc1nnsc1C(=O)NNC(N)=O	83582698	BTLBVPPHHLEHEY-UHFFFAOYSA-N	215.238	-0.586	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C(=O)CCCl	85089001	VCDHMBBRGXFKLB-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85541970	SEJQOLHPXQWKCR-HLTSFMKQSA-N	213.281	-0.382	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)N(C)[C@H](C)C1	127930445	ZXOHEJBWPYITTQ-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
CC/C(=C(\C#N)C(N)=O)N1CCOCC1	146937803	SBMOTJIVTLNBFL-HJWRWDBZSA-N	209.249	-0.008	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](O)CC[C@H]2C1	156624108	OXDIWAKRQFSQNJ-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CO[C@@]1(CN2CC(=O)OC(=O)C2)CCOC1	159365128	LOIWRXDLBMYTPO-SNVBAGLBSA-N	229.232	-0.823	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)CCN1	204217261	PDAILVSMJJMCMI-SNVBAGLBSA-N	234.108	-0.840	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCO1	232320939	WCLNFIUFBZHKML-LLVKDONJSA-N	249.075	-0.425	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(O)C1	233893781	DHQDBSJHQZVQKH-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
O=C1OC(=O)[C@@H]2CS(=O)(=O)CC[C@H]12	257899770	VQDUIVPUXLTRAK-CRCLSJGQSA-N	204.203	-0.879	50	10	BBGE	
COc1ccc([C@H](N)C(=O)NN)cc1OC	258937781	BZCWEHXZYXGWAZ-VIFPVBQESA-N	225.248	-0.307	50	10	BBGE	
O=[N+]([O-])c1ccnc(Br)c1B(O)O	306615873	OGPOKCCVNXGSLZ-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O=C1NCCN2[C@@H](Br)CN[C@@H]12	307226652	VVWCCHGFURZHRO-RFZPGFLSSA-N	220.070	-0.932	50	10	BBGE	
NC(=O)N/N=C1/CCO[C@H](C(=O)O)C1	307294706	NPCSDLAAQDPUBG-AGHXJMCVSA-N	201.182	-0.726	50	10	BBGE	
CCOC(=O)NNC(=O)c1nonc1N	308808407	BOGUWCXDOCQNDQ-UHFFFAOYSA-N	215.169	-0.957	50	10	BBGE	
C[C@@H](CO)N(C)Cc1nc(C(=O)NN)cs1	378764153	VDUZAHDXDBBTLN-LURJTMIESA-N	244.320	-0.441	50	10	BBGE	
O=C(NC1CC1)c1cc(Cl)cc(B(O)O)c1	380506878	JILABHOEGFKXTL-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H]2CCOC2)[nH]1	381197167	BCDISCWKUTYNAQ-ZCFIWIBFSA-N	243.698	-0.107	50	10	BBGE	
CNC(=O)C1CN([C@H](C(=O)NN)C(C)(C)C)C1	382061600	FUUOERNUWQLZII-MRVPVSSYSA-N	242.323	-0.931	50	10	BBGE	
OB(O)c1cccc(N2CCCC[C@@H]2O)c1	390131548	KDCSEPAGBMFYLA-NSHDSACASA-N	221.065	-0.325	50	10	BBGE	
Cc1ccn(-c2cc(B(O)O)c(F)cn2)n1	393775148	LZUKTSPXZDEJGF-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(CN(C)C)C1	394437485	DUDVKPRSEMVTAC-IUCAKERBSA-N	228.340	-0.506	50	10	BBGE	
CC(C)(CCn1cnc(C#N)n1)C(=O)NN	395586601	ALIATEJNAUQILG-UHFFFAOYSA-N	222.252	-0.444	50	10	BBGE	
COc1ccc(B(O)O)cc1CCC#N	396033541	PWLFGGMJVFUVIS-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
N#Cc1cc(B(O)O)c2scc(CO)c2c1	396224842	PGMKJPSDDLLTBA-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1csc2c(CO)ccc(B(O)O)c12	396239496	GFCURHYJHZBOJD-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN)C[C@@H](C)O1	606275762	LPFVTUFTDDYIOT-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCC[C@@H]1O	689816564	MOVIJKWBFZQYLR-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CCO[C@@H]1CNC[C@H]1C(=O)NN(C)C	690070132	XRDIMFIEUWQHJZ-HTQZYQBOSA-N	201.270	-0.796	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)CC1CC1	690925488	DXSLVCDXNYTMRK-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H](C)CO	695076275	GPCVPNIUPVFVIP-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
Cn1nnc(C(=O)NCC2(CCl)CC2)n1	700357635	BJSOZSWMPNJLPG-UHFFFAOYSA-N	229.671	-0.041	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2COC[C@H]2C1	700655496	XOLMTRFVMYFRJZ-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C(=O)CCCl)C1	700655534	YCQNVPYXLAYIPV-ZCFIWIBFSA-N	219.672	-0.116	50	10	BBGE	
O=C(NCB(O)O)c1c[nH]c2ccccc2c1=O	702018472	VFMGKASVIJAXGB-UHFFFAOYSA-N	246.031	-0.730	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(n2cccn2)C1	707398667	GYLURRUXVRVROF-SECBINFHSA-N	223.280	-0.492	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)C[C@@H](C)C1	707565389	SLUOBHKAPFYCNI-GHMZBOCLSA-N	242.367	-0.116	50	10	BBGE	
CCC[C@@H]1CN(CC(=O)NN)CCO1	708947499	UTPBFPUAKBVBGT-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CN(CCS(C)(=O)=O)[C@H]1COC[C@H]1Cl	709125955	KATOSTRMVTUCLQ-SFYZADRCSA-N	241.740	-0.031	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2C[C@@H]2C2CC2)c1	714932176	LWHAZQMPBBLYMS-MWLCHTKSSA-N	220.081	-0.001	50	10	BBGE	
CO[C@@]1(CN2CC(=O)OC(=O)C2)CCSC1	719235655	PBYQPNBSKLFJDA-SNVBAGLBSA-N	245.300	-0.106	50	10	BBGE	
NC(=O)[C@H]1CCN1S(=O)(=O)CCCCl	757142225	FNXDCJMFNUTMDW-ZCFIWIBFSA-N	240.712	-0.495	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)CCc1ccco1	786854515	WCBONPZKSZWNLZ-SSDOTTSWSA-N	226.232	-0.260	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)[C@H]1CCCO1	854636177	HIBXYGSVQVFQKU-XAVMHZPKSA-N	240.259	-0.795	50	10	BBGE	
Cn1nncc1S(=O)(=O)NCCCl	886074196	PXFWFWVENMRRLA-UHFFFAOYSA-N	224.673	-0.668	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ccnc(F)c1	907274662	AWPVEYVPUSQLCL-QMMMGPOBSA-N	243.238	-0.204	50	10	BBGE	
Cc1nnc(NNC(=O)C(C)(C)C(N)=O)n1C	1118967495	CPSFFWBAQPCNND-UHFFFAOYSA-N	240.267	-0.922	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1cccc(C)n1	1139746919	HEQLADQSPJYZGO-UHFFFAOYSA-N	235.243	-0.300	50	10	BBGE	
CCn1ncc(C(=O)NNc2ncccn2)n1	1327799873	BMOTZIXJIJONAN-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2	1333192869	XSGGIAMFRPWGOO-BWZBUEFSSA-N	225.248	-0.368	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cccc[n+]1[O-]	1583676475	NJQSKZJARXBJOE-UHFFFAOYSA-N	238.247	-0.326	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@@H]2F)nc1O	1608540504	BEHKDZYITNOYPM-UHNVWZDZSA-N	227.199	-0.313	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)Cc1cccnc1	1627486130	JTOPYRXCLSAPGR-UHFFFAOYSA-N	235.243	-0.680	50	10	BBGE	
NC(=O)CC(=O)NN=c1cc[nH]c2cccnc12	1634223426	MJGPNZIINGBBNS-UHFFFAOYSA-N	245.242	-0.630	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H](C)CCN(C)C	1639037399	ISCJRNOWSWRLRW-JTQLQIEISA-N	231.340	-0.080	50	10	BBGE	
Cc1ccc(S(=O)(=O)NNC=O)s1	1858080436	CYWOGNLWDLNJJB-UHFFFAOYSA-N	220.275	-0.004	50	10	BBGE	
NS(=O)(=O)NC[C@@H]1C[C@@H]1Br	1877379173	AIDQUJAIBLYRFU-IMJSIDKUSA-N	229.099	-0.437	50	10	BBGE	
COCCN[C@H]1CS(=O)(=O)C[C@@H]1Cl	1882021624	JDCUEPHTCHXXNE-BQBZGAKWSA-N	227.713	-0.373	50	10	BBGE	
COC(=O)C[C@H](N)C(=O)CBr	1887604417	WMEJZZOHPZZGGD-BYPYZUCNSA-N	224.054	-0.159	50	10	BBGE	
C[C@H](CS)C(=O)NN(C)S(C)(=O)=O	1888572134	QKFQNCUHIJVIKW-RXMQYKEDSA-N	226.323	-0.525	50	10	BBGE	
NNC(=O)COCCO[C@H]1C=CCC1	1893802189	NLOZETSSGISZKA-QMMMGPOBSA-N	200.238	-0.272	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)CCCC(=O)NN	1895545023	YNNNDOBMRTYFFY-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CS[C@H]1C[C@H](C(=O)NCCC#CB(O)O)C1	1899762707	FYJXNTMNFJMGIS-KYZUINATSA-N	241.121	-0.350	50	10	BBGE	
C[C@@H](CCN)C(=O)NN(C)S(=O)(=O)C1CC1	1901340810	KLYGJIJEUMWDLE-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)N1CCC(=O)CC1)S(C)(=O)=O	1901346128	KOYREUVFOZHMCT-UHFFFAOYSA-N	249.292	-0.833	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H](N)C1CC1	1901375430	LRJLCHAUCNMDED-QMMMGPOBSA-N	249.336	-0.575	50	10	BBGE	
NC(=O)CCCCCN1CC[C@H](B(O)O)C1	1902513244	QADWCSANYNDRNN-VIFPVBQESA-N	228.101	-0.419	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC=CC[C@H]1CO	1909017090	AERMGLZYZROMBJ-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
NNC(=O)N1C[C@@]2(F)CCC[C@]2(CO)C1	1910219721	AXEKEZNWWIDSOD-BDAKNGLRSA-N	217.244	-0.244	50	10	BBGE	
CCC(F)(F)C(=O)Nc1ncccc1B(O)O	1913613835	RIAJFAFGTNVWCN-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@]12CCOC2	1915574151	WXYACXULFKGCJC-KOLCDFICSA-N	227.308	-0.134	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C)[C@@H](C)C(=O)NN	1916200173	JWVCCDCBATUBCM-PRJMDXOYSA-N	230.312	-0.933	50	10	BBGE	
OB(O)c1cccc(CN2CC(F)C2)c1	1917261721	LNOAWYVCDSESOF-UHFFFAOYSA-N	209.029	-0.480	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC(=O)OCCl)C1	1928758332	PLMSRRQECYYYBF-WDSKDSINSA-N	208.645	-0.416	50	10	BBGE	
NNC(=O)CN1C[C@H](O)CC2(CCC2)C1	1931397717	KOZMPBJRCAPGFV-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
CC(F)(F)C1CN(CCC(=O)NN)C1	1931484561	IHPPWNJGCLSVQJ-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C(C)(C)O)C1	1932096816	TTZXXMQLUKPSJU-LURJTMIESA-N	201.270	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC12CCC2	1934428634	AOJDQSDHUVWRKV-HTQZYQBOSA-N	213.281	-0.646	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CCCC(=O)NN	1934981551	REEYYWWUBDYISX-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1	1936028604	IUMMUVRADODZAW-YFKPBYRVSA-N	223.236	-0.786	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1936091205	LPIGAACAMGKFPF-UYXSQOIJSA-N	225.292	-0.273	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	1936092900	YOHOSBVHADKHTK-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(CO)CC1	1936095059	SVRREOPNNOVUMG-ZJUUUORDSA-N	227.308	-0.683	50	10	BBGE	
CCO[C@H]1CCN(CCOCC(=O)NN)C1	1936533627	ZXQYCIUOFQABRE-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CNC(=O)N(C)Cc1sc(B(O)O)cc1C	1939887431	WVNFOGCICSHNIZ-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC[C@@H]2C1	1941084731	ZRWLZCQRYCLMNS-HBNTYKKESA-N	238.335	-0.608	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	1943070348	KCOJTJSAIVPEIP-NRPADANISA-N	241.335	-0.439	50	10	BBGE	
COC(C)(C)COc1cnc(C)c(B(O)O)c1	1944012051	XQSICJDCMVMRPA-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2OCCO[C@@H]2C1	1944741089	ILIKMPJOYDMAKH-AOOOYVTPSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1COCCCO1	1948400920	QCENRPVTGAIAAC-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]1C(F)F	1955440543	HHPSFEBVQCKZPI-NTSWFWBYSA-N	207.224	-0.191	50	10	BBGE	
ClC[C@@H]1C[C@@H]1N=c1ccc2nnnn2[nH]1	1957827159	ZTGDWMFEVHPMKW-WDSKDSINSA-N	224.655	-0.020	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(C#N)nc1	1968297982	XPZFNWGKMXAQPK-UHFFFAOYSA-N	240.244	-0.717	50	10	BBGE	
O=C([C@@H]1CC2(CC2)CO1)N1CC[C@H](B(O)O)C1	1972412645	KFUOWYIVDTWRQZ-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)OCCl	1975007227	LQEICMQMRDUPFL-DBRKOABJSA-N	239.655	-0.989	50	10	BBGE	
COCCN1CCN(C[C@H](Cl)C#N)CC1=O	1976094377	XZVUFRAPTWQBIA-SECBINFHSA-N	245.710	-0.092	50	10	BBGE	
COC[C@H](C)Oc1ncc(Cl)cc1B(O)O	1981424106	OBWWEDDRGBUZTR-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)[C@H](C)CC(=O)NN	1988556830	JFOIPUGDTXOIGE-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(N2CCNCC2)C1	1991680469	QRCSAOOKMBHUMX-NXEZZACHSA-N	243.738	-0.270	50	10	BBGE	
CN1CCC(OCCOCC(=O)NN)CC1	1992112904	FMIOXSNRDOZDGA-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CN)C1(C)C	1999554647	AWXJQQCPDTXURB-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	2001471163	ZMQPJDRYBYYBTK-DSYKOEDSSA-N	247.245	-0.132	50	10	BBGE	
COCCN(c1ncncc1B(O)O)C(C)C	2004915278	XWHRHTJFZBPFFT-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]2C(F)F)n1	2004973677	YIGQVSWYWIWRTD-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
CC[C@H](COc1ncccc1B(O)O)N(C)C	2008532861	YXQDKUFXXLEJKX-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
CO[C@]1(C)C[C@H]2C[C@H]1C[C@@H]2NC(=O)C(=O)NN	2012974111	BPNZRWBNJJTKOF-OFHVYEONSA-N	241.291	-0.704	50	10	BBGE	
COC(=O)NC[C@H]1CCN1C[C@@H](C)C(=O)NN	2014047266	ZWQVKDHEIAJPQA-HTQZYQBOSA-N	244.295	-0.957	50	10	BBGE	
CC1(C)CN(C(=O)c2ccccc2B(O)O)C1	2022195848	BQKJXIPPPWDSGX-UHFFFAOYSA-N	233.076	-0.152	50	10	BBGE	
CC(C)[C@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	2022543265	FIHHCBTZGWHZJN-VHSXEESVSA-N	235.092	-0.180	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ncccc3B(O)O)C[C@H]12	2042942831	GAKXCUWYOUEGLT-DNSOKLHBSA-N	246.075	-0.254	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1B(O)O	2052553799	MDANDUHRDATGOO-KYXWUPHJSA-N	245.091	-0.691	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3(CCC3)C2)n1	2052625843	PRWHMVJMENSDIG-UHFFFAOYSA-N	247.107	-0.236	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]3C2=O)cn1	2056637144	NQKYGTHRYRKXOB-DTWKUNHWSA-N	246.270	-0.337	50	10	BBGE	
CCOc1cc(F)c(B(O)O)cc1C=O	2060113402	KNADEDHWDHOZKD-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]1C1CC1	2071769535	OPNNSIZFMATSJI-WDEREUQCSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@@]23CCOC3)c1	2077711318	UQEDWIWHQUJDJZ-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H]2C[C@H]1CO2	2211828051	SSAYHEOWQCIBQB-RGOKHQFPSA-N	225.292	-0.524	50	10	BBGE	
C#C[C@@H](C)N(C)c1cc(B(O)O)c(C)cn1	2212605373	CMNAASIUYFSRLK-SECBINFHSA-N	218.065	-0.472	50	10	BBGE	
CCN(C)CCOc1cc(B(O)O)ccn1	2212607708	MGOVAWAFJUITMU-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
CNCC[C@H](C)Nc1cc(B(O)O)ccn1	2212614682	GJGKQROOBGFPTR-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
OC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214592457	GFXFJHCNXFUORJ-LLVKDONJSA-N	235.092	-0.819	50	10	BBGE	
Cc1cnc(OC[C@@H]2C[C@@H]2CN)cc1B(O)O	2217173825	QWXAMBWOOPNGIJ-BDAKNGLRSA-N	236.080	-0.957	50	10	BBGE	
C#CCN(CC#C)c1cc(B(O)O)c(C)cn1	2217180388	HDTPDQXHMFLPCG-UHFFFAOYSA-N	228.060	-0.857	50	10	BBGE	
C[C@@]1(O)CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217183027	INHDUKRFDYQLEP-MWLCHTKSSA-N	236.080	-0.523	50	10	BBGE	
C=C[C@H]1CN(c2ccc(B(O)O)cn2)CCO1	2217183160	GMVZPBLCLORFFL-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
CCOCCCN=c1cc(B(O)O)c(C)c[nH]1	2217185192	YYIZJFYDHBHCKF-UHFFFAOYSA-N	238.096	-0.670	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCC[C@H]2O)nc1	2217185520	YOKGLVHEYMCYAO-NXEZZACHSA-N	236.080	-0.523	50	10	BBGE	
C[C@H]1NCC[C@@H]1Oc1nccc(B(O)O)c1F	2217193791	XOOBGNJUROEBRZ-SVRRBLITSA-N	240.043	-0.970	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCCO[C@H]32)c1	2217198117	WVRYHLIMENFDGN-FBIMIBRVSA-N	234.064	-0.649	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@@H]1C[C@H]1C(=O)NN	2217259356	SWYOJOKJEUVIOD-NKWVEPMBSA-N	240.238	-0.683	50	10	BBGE	
CCN(CCNc1ncccc1B(O)O)C1CC1	2223633504	XMNIXOFVGBNVTK-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
Cc1cnc(N[C@H]2COC3CC2C3)cc1B(O)O	2223642351	ZXDXHOAHOIEIOL-AMUVOQDHSA-N	248.091	-0.341	50	10	BBGE	
Cc1cnc(N2CC[C@H]([C@@H](C)N)C2)cc1B(O)O	2223649210	VOYJMAQSIBEMRR-ZJUUUORDSA-N	249.123	-0.757	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@@H]2C[C@H]21	2243358060	BHCRWPSRVQMKIJ-PHDIDXHHSA-N	238.077	-0.943	50	10	BBGE	
CC=C1CN(C(=O)c2ccsc2B(O)O)C1	2243361634	DYBRPXTWPOIWJQ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CN(OCC(F)(F)F)C(=O)C1(B(O)O)CC1	2243363818	MWFGPDKGUMFTQI-UHFFFAOYSA-N	240.974	-0.054	50	10	BBGE	
O=C(NCC[C@@H](O)C(F)F)C1(B(O)O)CC1	2243363984	PKZURSNXAOVNPH-RXMQYKEDSA-N	237.011	-0.874	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CN1	2243364563	ZAPPQDBXNDGXSB-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCC1(F)CC1)c1sccc1B(O)O	2243375535	VESHZBKDWZKUOU-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243391373	JZHMQRFQPPLKDH-RBXMUDONSA-N	229.085	-0.628	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243391394	KFVAMCNEEYEQNM-HRDYMLBCSA-N	227.069	-0.707	50	10	BBGE	
CCS[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243399632	OIRHZJAYTXYZMG-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
C=C(CS(=O)(=O)N1CC2CC(C2)C1)B(O)O	2243412542	OYAZNIXXGMOTAV-UHFFFAOYSA-N	245.109	-0.774	50	10	BBGE	
Cc1nnsc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243414866	JLQACCARZDCQOU-WDSKDSINSA-N	241.081	-0.674	50	10	BBGE	
CN(Cc1cnsc1)C(=O)[C@H]1C[C@H]1B(O)O	2243426889	NHOLMGPIBDIZQW-JGVFFNPUSA-N	240.093	-0.036	50	10	BBGE	
O=C(Nc1nncs1)c1cocc1B(O)O	2244216123	HTIRQKNMOSPARZ-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CO[C@@H](C(=O)NCCC#CB(O)O)C(C)C	2244550577	SQNMGMXXLYRHNQ-SECBINFHSA-N	227.069	-0.821	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247722390	MCCSMZPMEXHTST-ZETCQYMHSA-N	237.064	-0.180	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C(=O)C1(B(O)O)CCC1	2247733157	MXTGCKLHGNOIJU-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCc2ccccc21	2247740657	NQBVUVWKFXSABN-NSHDSACASA-N	229.044	-0.195	50	10	BBGE	
O=C(NCCO[C@H]1CC1(F)F)C1(B(O)O)CC1	2247750464	JWXASAKOIALGOR-LURJTMIESA-N	249.022	-0.466	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1C(=O)C1(B(O)O)CC1	2247756689	UBNIKEQSQSVZSW-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1CNCC12CC2)C1(B(O)O)CCC1	2247758412	ZFBAIPDJUKWXCD-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
CCC1CN(C(=O)c2cc(C)c(B(O)O)o2)C1	2247788226	BKEQIWZZGFSJKR-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)C2CC(B(O)O)C2)C1	2247797027	FRFBEVWGVUFKCR-UDNWOFFPSA-N	240.112	-0.421	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)[C@@H]1C[C@@H]1B(O)O	2247797363	ISZYQPWNPBUHMW-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
Cc1ccncc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247807124	PYNXNEVGABMIGB-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
CN(C)c1ccccc1NC(=O)C#CB(O)O	2247850296	MPDFUPXZAOYFLO-UHFFFAOYSA-N	232.048	-0.294	50	10	BBGE	
O=C(Nc1cnccn1)c1csc(B(O)O)c1	2247869026	KOADIKHYOQUESH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ccncc1B(O)O	2247871622	FFKRHJPTWCTBPW-QMMMGPOBSA-N	236.080	-0.368	50	10	BBGE	
COCC1CC(NC(=O)C2(B(O)O)CCC2)C1	2247877523	BOEDRFWXMZXENP-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@]2(O)C[C@@H]2C1	2247894386	GHSQFGQAASWUNZ-CDLYGTGVSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2[C@H](O)C[C@H]2C1	2247896069	DRTDPBJPVAUHCY-RXKWGBCNSA-N	239.080	-0.921	50	10	BBGE	
CC(C)(O)C(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247897468	SOOYDWBKOGYLEO-YUMQZZPRSA-N	243.112	-0.237	50	10	BBGE	
Cc1ncccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247900361	WFIWOAHMQDDVPN-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CN	2247900573	XYGWXNANEWJLGT-HLTSFMKQSA-N	240.112	-0.707	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)C1(B(O)O)CC1	2248573596	HBTPIAAULOJEOZ-SECBINFHSA-N	241.052	-0.541	50	10	BBGE	
CC1(C(=O)O)CN(C(=O)C2(B(O)O)CCC2)C1	2248574710	URDXTQRIBOXIAX-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CC1	2248588700	GWMNGACNOOVPOG-RQJHMYQMSA-N	241.052	-0.780	50	10	BBGE	
Cn1cc(CCN2CCC(B(O)O)CC2)cn1	2249377893	JCKSVKKEIDOALS-UHFFFAOYSA-N	237.112	-0.099	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249428182	OAHVFTQBCFHHLT-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cnn(C)c1	2254029139	PAILZMINBHCDAV-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC(C2CC2)C1	2255457461	DRVXWKSOOUGFEZ-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2255459077	AORKUDSPDLFBTG-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC2(CCC2)C1	2255464283	UKAQEANTHGTFAA-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
COc1cc(C(=O)N2CC[C@@H]2C)ccc1B(O)O	2255552551	MTBRWLVNQRZBHB-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1cc(B(O)O)n[nH]1	2255552909	RBCLGTWIVBLGOV-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2C=CCC2)c1B(O)O	2255576566	HWEBQXVUMXDWCD-SECBINFHSA-N	246.075	-0.482	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C(=O)C[C@@H]2C)c1	2255736925	WDAWROKWAAOOGK-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
Cc1ccnc(C(=O)N(C)C2(C)CC2)c1B(O)O	2255779885	NFYLPHDHJHWCAO-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#CC1(NC(=O)c2cocc2B(O)O)CC(C)C1	2259909976	ZXSGHOVCWXXHDV-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	2263680662	NPSROAHJKVDEPR-AKEJEFCPSA-N	249.270	-0.827	50	10	BBGE	
CC[C@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369439	USINMKNRPQDLSZ-SDNRWEOFSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC1C[C@H]2COC[C@@H]2C1)[C@H]1C[C@H]1B(O)O	2298375542	OAUZITNHRINLLJ-ZRUAGYDASA-N	239.080	-0.610	50	10	BBGE	
OB(O)c1cccnc1NCCc1ncco1	2301086029	KHHSYECERPNSCY-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)CN(C)C(=O)C(=O)NN	2302057733	AUXJMYYUXBJOFK-MRVPVSSYSA-N	245.323	-0.522	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	2302403845	QFIAKUJROLPHPH-ZRUFSTJUSA-N	240.351	-0.221	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCO2)cc1B(O)O	2302409633	ZRSXQMZGDLDGGP-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CC23CCC3)nc1	2302530246	KEKNIOJEWMBVAF-MRVPVSSYSA-N	234.064	-0.275	50	10	BBGE	
Cn1cncc1C(=O)N1CC[C@@](C)(B(O)O)C1	2303104945	MUTVGXWOBIOITJ-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@H]1CC[C@@H]2C[C@H]12	2313081982	VGOCRWREMYBPGN-FYBVGQRMSA-N	249.075	-0.170	50	10	BBGE	
CC(=O)NNC(=O)CSCCC(=O)O	36967799	IOVDPDJEOZRRCS-UHFFFAOYSA-N	220.250	-0.638	50	10	BBGE	
O=C(NNC(=O)c1ccco1)c1c[nH]nn1	80199215	NMNXZNUCTIWCEW-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
CC(C)(C)c1cc(C(=O)NN)c(=O)[nH]n1	82451511	JISNPTQPCRDSMD-UHFFFAOYSA-N	210.237	-0.329	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nccn1C	82469273	XRCVPBHUPZGCIS-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
C[C@H](CN(CCO)C1CC1)C(=O)NN	82470839	PWVZYYHCCVACMD-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1sccc1Cn1cncn1	82501732	CEVBFSWEBRJFLQ-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CNCCCN(C)C[C@H](C)C(=O)NN	87472907	FTSSWIGYZHKGEV-QMMMGPOBSA-N	202.302	-0.846	50	10	BBGE	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)NN(C)C	149077985	XCCIQUFGNJSZPV-BQBZGAKWSA-N	215.253	-0.032	50	10	BBGE	
OB(O)c1cncc(OCCC2CC2)c1	203541551	JUIHJKXGLKAILZ-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
OB(O)c1cccc(O[C@H]2CCCOC2)c1	224914414	UCDRMFYQMSPTAA-NSHDSACASA-N	222.049	-0.076	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)c1ccc(C#N)cc1	232419448	LAWDJKDDQOEESG-NSHDSACASA-N	248.286	-0.001	50	10	BBGE	
CNNC(=O)c1c(OC)ccc(N)c1N	238307734	JLQRRNPEXUZGOH-UHFFFAOYSA-N	210.237	-0.276	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCSC1=O	238337099	JJHUVPQTRPDQAB-YFKPBYRVSA-N	203.267	-0.206	50	10	BBGE	
O=NN1[C@H](CCl)OCC1(CO)CO	238697301	HCBQGUSPBMDBQQ-YFKPBYRVSA-N	210.617	-0.712	50	10	BBGE	
CSC1CCN(CC(=O)NN)CC1	300910725	XHXBYBFOWZECBZ-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
COC(=O)[C@H](N)COCCBr	307884815	WFUFBWLVOXEYIP-RXMQYKEDSA-N	226.070	-0.102	50	10	BBGE	
Cn1ccc(=O)n(CCOCCCl)c1=O	309093011	FNFDNXRLPYZGNX-UHFFFAOYSA-N	232.667	-0.198	50	10	BBGE	
C#CC(=O)NNC(=S)NCCSC	379371862	IMTPCCIJRZKZER-UHFFFAOYSA-N	217.319	-0.522	50	10	BBGE	
C=CCCS(=O)(=O)c1ccc(B(O)O)cc1	380538336	GLYBSNGHIZGMSZ-UHFFFAOYSA-N	240.089	-0.284	50	10	BBGE	
N=C1COC[C@@H](c2ccc(B(O)O)cc2F)N1	396459709	LUTPCMGXOGJQHS-VIFPVBQESA-N	238.027	-0.856	50	10	BBGE	
C[C@H]1COCCN(Cc2ccccc2B(O)O)C1	399561865	DVAKEPPOALYNEK-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
CO[C@H](C)C(=O)NCc1ccc(B(O)O)cc1	404980262	NMFLTVZYKGWFCV-MRVPVSSYSA-N	237.064	-0.983	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1[C@H]2COC[C@H]12	405026564	LMWIHJQYTNCTII-UWVGGRQHSA-N	247.059	-0.803	50	10	BBGE	
COCCC(=O)Nc1ccc(B(O)O)cc1C	405027718	MXLBXFPGVWYBBO-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
CC1=C(B(O)O)C#C[C-](Br)N1	616579428	IHKLDUHDPLVBLE-UHFFFAOYSA-N	214.835	-0.237	50	10	BBGE	
CS(=O)(=O)N1CC(C[S@](=O)Cl)C1	675071608	OAQYNOPVCQGSNY-NSHDSACASA-N	231.726	-0.220	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCCO2)CC1	685987044	BJWHJGWTVPTOIU-JTQLQIEISA-N	226.276	-0.248	50	10	BBGE	
CO[C@H](C(=O)Nc1ccccc1B(O)O)C1CC1	692734446	WRDISSBUTYISRP-NSHDSACASA-N	249.075	-0.270	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@H]1CCN(C)C1	693440361	XOOAUGNEZGQQCT-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N2CCCCC2)C1	697751982	VUAUYIIRYQODFU-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
O=C(CCl)[C@H](O)[C@@H](O)[C@@H](O)CCl	701693046	MLQSSVPAOPJIFW-FUTKDDECSA-N	217.048	-0.884	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CN(C)C(C)(C)C1	703353642	ZEVOZHXAUBOMFU-DTWKUNHWSA-N	228.340	-0.221	50	10	BBGE	
CN(N)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	704676742	UIGYZHVTHVCLCO-RCOVLWMOSA-N	229.305	-0.228	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	705217325	NXZCLJIAYINGGV-LDYMZIIASA-N	249.075	-0.413	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CSC[C@H]2C1	711526740	UBSJTXSOGOSLSO-IWSPIJDZSA-N	245.348	-0.714	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H](F)[C@H](F)C2)n1	714562309	YQHWUGBXXUCRGU-OLQVQODUSA-N	246.217	-0.230	50	10	BBGE	
Cc1cc(C(=O)Nc2cc(B(O)O)ccn2)n[nH]1	716645894	VANHOUKOKFGSDZ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
NNC(=O)c1nc(CO[C@H]2CCOC2)ns1	724345062	GARLBFFTNFBGOK-YFKPBYRVSA-N	244.276	-0.553	50	10	BBGE	
CCN1CC(CN(C)CCCC(=O)NN)C1	822036667	GPHGJCSDPFHSSB-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](O)C2CCC2)n1C	856056088	YQOIXCLFCNMFPE-MRVPVSSYSA-N	239.279	-0.272	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CC[C@@H]1C(N)=O	862500506	QBRQUKXQOBFTEY-DTWKUNHWSA-N	248.286	-0.233	50	10	BBGE	
COC[C@](C)(O)C(=O)NN(C)c1ccccn1	862751183	YCJHDHVGYCACGN-NSHDSACASA-N	239.275	-0.054	50	10	BBGE	
O=C(CCF)NNC(=O)[C@H]1CCCO1	908379726	FTPLLNLJMBJWPK-ZCFIWIBFSA-N	204.201	-0.328	50	10	BBGE	
CCN(CCO)NC(=O)c1ccn2nccc2n1	911437510	AGACZBYMASTSRE-UHFFFAOYSA-N	249.274	-0.312	50	10	BBGE	
O=C(CCF)NNC(=O)c1cccnn1	1119608905	JKRLPQJAXLHCPT-UHFFFAOYSA-N	212.184	-0.403	50	10	BBGE	
Cc1ccncc1C(=O)NNC(=O)c1ncon1	1134616536	HJRHLTKBEJKBEZ-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(CC1COC1)NNC(=O)c1ncccn1	1334212916	FDKGSWIXXUZODL-UHFFFAOYSA-N	236.231	-0.726	50	10	BBGE	
COc1nc(C(=O)NN(C)C[C@@H](C)O)co1	1350778524	MQWJWQVBWAVYBD-ZCFIWIBFSA-N	229.236	-0.359	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@@H]1COC(=O)C1	1467909218	RUAYRHSGHKOFAW-LURJTMIESA-N	230.220	-0.331	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNC(=O)CO)CCO1	1472538142	QBTQRQVJBRNHHA-SSDOTTSWSA-N	230.264	-0.669	50	10	BBGE	
Cn1ccc(NNC(=O)CO[C@H]2CCOC2)n1	1558977453	IONJEWPLDZQPQT-QMMMGPOBSA-N	240.263	-0.331	50	10	BBGE	
CCOC(=O)[C@@H](C(=O)NN(C)C(N)=O)C(C)C	1630878344	ORWWPEKBEYNNPX-SSDOTTSWSA-N	245.279	-0.137	50	10	BBGE	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc[nH]n1	1632708366	GVMHSTPZBBPVCR-UHFFFAOYSA-N	247.214	-0.882	50	10	BBGE	
O=S(=O)(CCCCl)NOCCO	1881159199	MENUCJHLIQVHMN-UHFFFAOYSA-N	217.674	-0.541	50	10	BBGE	
CP(C)(=O)CCC(=O)NNCCO	1882001642	GMGXCZGOYLEYHQ-UHFFFAOYSA-N	208.198	-0.388	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1CF	1886121892	HKEXHQWCIYTMKY-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CS1	1887963437	WMBTYMMCACOHLL-PHDIDXHHSA-N	217.294	-0.671	50	10	BBGE	
N=c1[nH]c(N)cc(=NC[C@@H]2C[C@H]2Cl)[nH]1	1893098039	GQOFCIBSPLHOGA-CRCLSJGQSA-N	213.672	-0.068	50	10	BBGE	
O=C(O)COCC(=O)NC[C@H]1C[C@H]1Cl	1893118510	INCYMTNARJTMFZ-PHDIDXHHSA-N	221.640	-0.169	50	10	BBGE	
COC1(CO)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1893475275	RMFYUQNSXQOFSK-BQBZGAKWSA-N	219.668	-0.167	50	10	BBGE	
O=C(CNCCO)NCC1CC(Cl)C1	1893520649	JZPGJODJFNOVBN-UHFFFAOYSA-N	220.700	-0.298	50	10	BBGE	
C=C(CN1CC[S@](=O)[C@H](C)C1)B(O)O	1895096454	CMJMNBGGDFBUEI-CLAHSXSESA-N	217.099	-0.993	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@@H](CC)C(=O)NN	1899745361	UCLBUUFDBNJZFO-AEJSXWLSSA-N	227.308	-0.234	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC[C@H](C)O	1899922689	IFEYWMZYNAGPIV-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cnsc1B(O)O	1900466095	AWMZYPVJVYJCGT-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
CN(NC(=O)CC1(CN)CCC1)S(C)(=O)=O	1901373462	KYEGHWVJNIYWDW-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1O	1902155339	GVOHMAFSPYHUBL-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CCC#CC(=O)NCc1cc(B(O)O)cs1	1902335688	OFIWJGQOGYVAMF-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCS(C)(=O)=O)C1	1902518769	XKFOPXWZCRFHET-SECBINFHSA-N	249.141	-0.640	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CC23CC3)ncc1F	1903005240	DWZKPFLPDGXDNV-MRVPVSSYSA-N	222.028	-0.135	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN=S1(=O)CCOCC1	1913866527	GTLIDTPDUPLQQV-HTQZYQBOSA-N	247.320	-0.889	50	10	BBGE	
CO[C@@H]1CCN(C[C@H](C)C(=O)NN)[C@@H]1C	1914334882	LPHLTUKHWRDDRL-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926421856	SOLKCCDPCOESFY-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
ClC[C@H]1CCN1CCn1cnnn1	1929722750	ACBMJFXYIGQYAE-SSDOTTSWSA-N	201.661	-0.014	50	10	BBGE	
O=C(C[C@H]1CCCOCC1)NNCCO	1929838866	UJDIZJLRRVZWEQ-VIFPVBQESA-N	216.281	-0.194	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1C[C@@H]1C[C@@H]1C(=O)NN	1936093446	DWDJITWGHDVHMQ-CSMHCCOUSA-N	247.320	-0.964	50	10	BBGE	
C[C@H]1CCSCCN1CCOCC(=O)NN	1936534242	NUJXGHMXFHGMND-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
C[C@]1(CO)CCN1CCCCCC(=O)NN	1938799547	PYSQMTUSDCKODG-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1CCOCC(=O)NN	1941779671	GVMFTJJJNYWQTH-UHFFFAOYSA-N	243.223	-0.894	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CC1(C(=O)NN)CC1	1945882150	COMXGKVOXCFCJO-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1CC1(C(=O)NN)CC1	1945882474	INELGSRXLLAYBL-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1	1945883888	HPGBMWQKAJDQSJ-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCC(O)CC2)C1	1950167610	JVFNYLYNTNEBBD-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CO1	1951321700	CRHMWGZBHDCCIQ-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[S@@](=O)CC1CN(C[C@H](Cl)C(=O)O)C1	1954990590	IZXLJTPFEAPIKP-JKYUHCHBSA-N	239.724	-0.011	50	10	BBGE	
Cn1nnnc1CN1CC(F)(CCl)C1	1956994949	IXYZMBOXOJRZDR-UHFFFAOYSA-N	219.651	-0.027	50	10	BBGE	
NC(=O)N[C@@H]1CCCN(C[C@@H](O)CCl)C1	1960162924	HMSNCJKXUBRGKT-SFYZADRCSA-N	235.715	-0.281	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CC[C@H]2C3)n1	1961718478	PGZWFDWBTKGLFH-BQBZGAKWSA-N	224.094	-0.188	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(CNC(=O)N2)C1	1974909657	UQPMELWJYWWXIY-ZCFIWIBFSA-N	231.683	-0.245	50	10	BBGE	
COc1nc(SC2CC2)ncc1B(O)O	1975032740	KPNYDTNNGYEHOB-UHFFFAOYSA-N	226.066	-0.581	50	10	BBGE	
O=C1C[C@]2(C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)O1	1977002785	FKUBVTJFTUAXKW-LYIWLLOFSA-N	244.268	-0.099	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCO)[C@H]1C[C@H]1C	1979614824	AETMEWYRWKDQOS-KATARQTJSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@@H]2CCCOC2)C1	1981090120	ZSVZNXNVZUNAJD-RKDXNWHRSA-N	229.280	-0.303	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1[C@H]2COC[C@H]12	1982259890	DZBCSYMAGPWJLK-OPRDCNLKSA-N	227.308	-0.421	50	10	BBGE	
CN(C)CCOc1ncc(Cl)cc1B(O)O	1982814136	HGTBEDQCPSVXDF-UHFFFAOYSA-N	244.487	-0.645	50	10	BBGE	
CCN(CC)[C@@H](C)Cn1ccc(B(O)O)n1	1983811617	IRVWXKRXIHJVFM-VIFPVBQESA-N	225.101	-0.707	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](OC)C[C@H]21	1984069390	MEMSLBOIRPJRKL-JLIMGVALSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ccncc1B(O)O	1984211053	FEFIDTSTUHKFJT-LURJTMIESA-N	230.023	-0.149	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986732885	WJBXEHRISJSSKF-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC(F)(F)C1	1986787052	MESPRPIIHSVBAN-LURJTMIESA-N	235.234	-0.082	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)C1(C)CC1	1988002883	CXBRGMQXKNVNLN-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1[C@H](C)O	1990040623	GQRDQDNKWMRBEL-QCLAVDOMSA-N	229.324	-0.154	50	10	BBGE	
NN=c1cncc(C(=O)NC[C@@H]2C[C@H]2Cl)[nH]1	1991432886	NJDYPOIJIKUZLY-NTSWFWBYSA-N	241.682	-0.459	50	10	BBGE	
OB(O)c1cnc(-n2cc(F)cn2)c(Cl)c1	1992088447	COMABXUCTMPADO-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
CN1CCC(OC[C@H]2C[C@H]2C(=O)NN)CC1	1992112500	AGTYTAMPCWLGRN-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CCN1CCN([C@@H](C)CCC(=O)NN)CC1=O	1996755796	IXAWESLSCDBBSD-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866599	UAFOLBCTIGXJMU-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CN1CC[C@H]2CN(C)CC[C@@H]21)C(=O)NN	2004170504	ORCCUVQWBQOKMH-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CC1(C#N)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	2004461094	NFOYCWYNULYBBX-RKDXNWHRSA-N	238.291	-0.631	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1c1ccc(B(O)O)cn1	2004910943	AQGPNJRNDBTXAU-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CCOC1(CO)CN([C@H](C)[C@@H](C)C(=O)NN)C1	2005154494	XKHLAOBCLKHRJP-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2C[C@H]2F)cc1B(O)O	2006987791	IWKMBCGLDOCZJL-WCBMZHEXSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H](CCn1cc(B(O)O)ccc1=O)C(F)F	2008840464	MQBBBRQERWTPDF-ZETCQYMHSA-N	245.034	-0.181	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](N(C)C)[C@H](C)C1	2019208623	IXXDXPGDAOLOJU-PSASIEDQSA-N	242.323	-0.964	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCO[C@@H](C)C1	2019210992	OWMJXXSFTJFDEZ-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](C(F)F)C2(CCC2)C1	2019916675	GKRLDZTURZOMMK-ZCFIWIBFSA-N	247.245	-0.130	50	10	BBGE	
Cc1ccc(OCC2CN(C)C2)c(B(O)O)c1	2022091580	SMNXXHUEHBHBEP-UHFFFAOYSA-N	235.092	-0.385	50	10	BBGE	
CC1CC(NC(=O)c2ccccc2B(O)O)C1	2022196800	RXQKAHWKDCIVRD-UHFFFAOYSA-N	233.076	-0.105	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]1C1CCCC1	2022429171	RFWUKPDJPIBIMY-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
CN(CCOC(F)F)c1ccncc1B(O)O	2023986893	MQSUKWDIBJUTAO-UHFFFAOYSA-N	246.022	-0.563	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CO[C@H]3CNC[C@H]23)CC1	2042710048	TUGBBTNTXKUULK-UTUOFQBUSA-N	247.298	-0.097	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CC=CCO2)C1	2052471771	NVENCSQCYTYWIO-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
Cc1cn(-c2nc(C)nc(C)c2B(O)O)c(C)n1	2052602091	FSJHYCKGIBJPOV-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
CCN(c1ccc(B(O)O)c(C)n1)C1CN(C)C1	2052627494	MKQNTAXVFDTICW-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCc1cc(C=O)c(B(O)O)c([N+](=O)[O-])c1	2060036878	QYMFADWNCQVDRU-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(B(O)O)c1F	2060130920	UPFDQODRTKUVEI-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1ccc(B(O)O)c(C)c1[N+](=O)[O-]	2060379802	MHJXIGAXIZAASI-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1ncc(C(=O)N[C@H]2CCC=C2B(O)O)n1C	2076084952	OPWLTYYFIZSDBK-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2O[C@H]3C=C[C@H]2C3)n1	2078463953	YPRSQEYMKGMYON-YUMQZZPRSA-N	249.274	-0.532	50	10	BBGE	
COC[C@@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	2079008429	JMYHWRFVWAIQJW-GZMMTYOYSA-N	249.075	-0.869	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCCS1(=O)=O	2211838242	FBUKOLUTOVIBKQ-SFYZADRCSA-N	247.320	-0.962	50	10	BBGE	
NCCOCCSC[C@H]1CC[C@H]1C(=O)NN	2211838849	MJWNNTKWWGPORM-RKDXNWHRSA-N	247.364	-0.289	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC1(CO)CC1	2215772112	LYWRYYDMULKISQ-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C(C)(C)CO	2217172320	JEMMINUVDDJYOV-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
CCn1cc(Nc2ncccc2B(O)O)cn1	2217176940	CFTTVMLRVCLBFL-UHFFFAOYSA-N	232.052	-0.279	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]3C2)c1F	2217181214	NVMRYKJDYNWFRS-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CC[C@@H](CNc1ccc(B(O)O)cn1)N(C)C	2217181257	YZGJHIROGUHIBH-JTQLQIEISA-N	237.112	-0.487	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Oc1ccc(B(O)O)cn1	2217184997	XLNDEWAARWNPOZ-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CN1CCC[C@@H]1COc1cc(B(O)O)ccn1	2217186676	NJZZBIHXSULIRH-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3[C@@H](O)C[C@H]3C2)c1	2220065839	GIXMBHLHYMLQIU-UHTWSYAYSA-N	247.103	-0.821	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](O)CC3(CC3)C2)c1	2223649798	DFOIFDFQBNJWJD-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
CC1(C)C[C@H](N)CN(c2ncccc2B(O)O)C1	2223669995	QYAGQIQZGVDNSF-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)C1CCNCC1	2223675602	XPNOXPLFRGLKPB-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
N#CNC(=O)c1cc(B(O)O)c(Cl)s1	2241481455	VCVNOOCYJQBHCU-UHFFFAOYSA-N	230.441	-0.708	50	10	BBGE	
N[C@H]1CCO[C@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241653023	BTRVAGQGNIKNAQ-DKXJUACHSA-N	218.684	-0.011	50	10	BBGE	
CCCN(CC)C(=O)c1cc(B(O)O)c[nH]1	2243357129	RPMIQKOCMZLMOX-UHFFFAOYSA-N	224.069	-0.433	50	10	BBGE	
N=c1[nH]c(CNC(=O)C2(B(O)O)CC2)cs1	2243365545	OBFDPGFBSPPINN-UHFFFAOYSA-N	241.081	-0.821	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2243390863	CGJNUUYAKOLCKD-YIZRAAEISA-N	222.053	-0.389	50	10	BBGE	
N#CC1CN(C(=O)c2cc(B(O)O)cs2)C1	2243398133	MZBKOLPBEVLVEC-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)[C@@H]1C	2243401344	PPXJWOXRFWFNFV-OPRDCNLKSA-N	223.081	-0.057	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1csc(B(O)O)c1	2243406904	HSNRXZYXBJKUFO-QMMMGPOBSA-N	235.073	-0.724	50	10	BBGE	
CN1CC(N(C)C(=O)C2CC(B(O)O)C2)C1	2243416379	KBHXRPXOOAYUIU-UHFFFAOYSA-N	226.085	-0.988	50	10	BBGE	
C#CCCC(=O)NCc1ccc(B(O)O)s1	2243678581	LGKDSIRRXCEIMG-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
O=C(NCCC#CB(O)O)Nc1cnsc1	2244539913	OJCSKHKPLYPELK-UHFFFAOYSA-N	239.065	-0.330	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CS[C@@H]2CCNC2)O1	2244628664	NAFJCRAWHLWFCD-IWSPIJDZSA-N	245.348	-0.381	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2245130901	XXKRAZIHEAJTJG-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247737758	JKHZCBNGLPWFQS-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCCNC1	2247753848	AJSFRTZNMBLNAF-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@@H]1CCNCC12CC2)C1(B(O)O)CC1	2247754771	FRVQIMIFEFVLLC-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2247757245	PVEUWNSDVFWDLU-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
N[C@@H]1CC12CC(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247785183	HBLDPVUMLKPRFQ-FUEUGIDQSA-N	238.096	-0.765	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CO)CCC1	2247787179	LVBYIOUGRHMOJH-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1B(O)O	2247797137	GLSJMQRVMAFHPA-SRQGCSHVSA-N	239.080	-0.515	50	10	BBGE	
CC(C)C1(NC(=O)c2c[nH]nc2B(O)O)CC1	2247798060	PVBYLIKYJYKBMC-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)[C@H]1C[C@H](B(O)O)C1	2247810712	ZOTWLOGQNBTXLA-YENDLIOYSA-N	239.080	-0.467	50	10	BBGE	
CCCc1cnc(CNC(=O)C#CB(O)O)o1	2247849731	DSONTWMRTCTNFV-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
O=C(N[C@H]1CC[C@@]12CCCO2)C1(B(O)O)CC1	2247854188	YJGHFDKDQKOXEF-KWQFWETISA-N	239.080	-0.179	50	10	BBGE	
CC1(N)CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247854599	FNXQVSHMRNJQRS-GWMJWBFUSA-N	240.112	-0.375	50	10	BBGE	
Cc1cc(C(=O)N(C)C2CCC2)oc1B(O)O	2247892141	UZCPFPYUCNYSNS-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
C[C@@H](O)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247896755	JYZFJBJHOILKGC-SZEHBUNVSA-N	241.096	-0.531	50	10	BBGE	
CN1CCC(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247896767	KCMJGFNSVCSIDZ-UWVGGRQHSA-N	240.112	-0.693	50	10	BBGE	
COCC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247897508	UCGSQBATHFIBBE-RKDXNWHRSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[C@@H]1B(O)O	2247899547	OAUZITNHRINLLJ-KBDSZGMXSA-N	239.080	-0.610	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247900447	WUUMUDBZUHNSEA-AXTSPUMRSA-N	240.112	-0.694	50	10	BBGE	
C=C(C)C(=O)Nc1ccc(OC)cc1B(O)O	2248415058	UJYILZMMTXBROQ-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2248586860	IIEFUEUKNQXRCK-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2248588031	YCEKZFWPONVULV-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1cc(B(O)O)ccn1	2248741348	NNEQJRZFRJCQLS-WCBMZHEXSA-N	232.092	-0.004	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cc(B(O)O)co1	2249412083	UVFPIARAACDHTO-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2cocc2B(O)O)C1	2249416843	XVIJMWDCDZNTIR-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2249589810	GSCMCKICUWQOAP-IRHRITDKSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1COC2(COC2)C1	2249637543	UXZJSNFUPPZBMP-DTWKUNHWSA-N	243.307	-0.755	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C)CCN(C)C	2250859678	DAGSTEJZNJPKIT-SECBINFHSA-N	244.339	-0.574	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1C[C@H]2C[C@@H]2C1	2255454241	NJJQYKHTGDSPSS-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CCCC[C@H]21	2255465072	FKSSSOCPCMZRNB-GZMMTYOYSA-N	248.091	-0.291	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1ccc(B(O)O)o1	2255468054	VNZLEDBHHLLIKE-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ncncc1B(O)O	2255503251	JPPGGICSDSWONC-LLVKDONJSA-N	249.079	-0.829	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ncccc2B(O)O)C1	2255516574	NIOUCBAPFOGLBO-RKDXNWHRSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1occc1B(O)O	2255746124	RPZDUZLYJCPYOE-UFBFGSQYSA-N	249.075	-0.121	50	10	BBGE	
C=C1CON(C(=O)Nc2ccccc2B(O)O)C1	2255906085	BDJHZYNGCCMOAV-UHFFFAOYSA-N	248.047	-0.298	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ncc(B(O)O)cc1C	2257490706	GIBJTNFOCDRDDS-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
CN(C[C@H]1CCOC1)C[C@@H]1CC[C@@H]1C(=O)NN	2298165838	ATRUDENBESPVTA-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C[C@H]1F	2298166554	UAMZIQFTAMQKEF-ZYUZMQFOSA-N	245.298	-0.329	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1C[C@@H]1B(O)O	2298375764	YQSVKWWNHCLFHF-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377436	REGGYBBBXXZLBG-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
CN1CCC[C@@]1(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298377441	RPFIDRXSYOBBRE-YWVKMMECSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCCNC1	2298377511	UESXLJPHGDYYPH-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377612	XRFXOEOTUUUKBB-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN(C[C@@H](C)C(=O)NN)C2	2299132134	QAAXQYGTLKGENX-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300370804	NHKOXMPWOVYUJL-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cc(F)c(F)c(OCC2COC2)c1	2300471220	HFVXYSWWSJXUKQ-UHFFFAOYSA-N	244.002	-0.330	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@H](C)CCCC(=O)NN	2302049452	HETDCTPBPGSERM-RKDXNWHRSA-N	244.339	-0.399	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2N[C@@H]3CC[C@H]2C3)nc1	2312613688	MFRAITDLIXAODD-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H](C#N)CN(C)c1ccc(B(O)O)cc1C#N	2317156010	TZTGXLBLTVPGFX-VIFPVBQESA-N	243.075	-0.166	50	10	BBGE	
NC[C@H]1C[C@@H]1COc1ccc(C=O)c(B(O)O)c1	2317312453	HKUROZFPTUXOGB-NXEZZACHSA-N	249.075	-0.848	50	10	BBGE	
OB(O)c1ccnc(N2CCN[C@@H]3CCC[C@@H]32)c1	2319236980	HFPLGUGXVMXKNU-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNCCCNC=O	2324518064	JBGXCLIDGOAZTB-UHFFFAOYSA-N	238.291	-0.356	50	10	BBGE	
CCN(N=O)C(=O)NC(=O)/C(C#N)=N/OC	5845050	JMYJMYUTPAPMKU-BJMVGYQFSA-N	227.180	-0.248	50	10	BBGE	
CC(=O)O[C@@H]1CC(=O)N2CC=C(C=O)[C@H]12	75617301	AFHHYXYMSTYZHM-PSASIEDQSA-N	209.201	-0.342	50	10	BBGE	
C[C@H]1COCCN1CCCC(=O)NN	82467545	KYRCAHZMAYWZJZ-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CCOC(OCC)C(=O)NNC(=O)NC	95093016	IQOUAWFVQOFCJT-UHFFFAOYSA-N	219.241	-0.654	50	10	BBGE	
CCOCCN(CCOCC)[C@@H](C)C(=O)NN	126401402	HPMBQDPVZIFEJU-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1nc2cnccn2c1=O	132872241	QHCLJJZZENTKIG-YFKPBYRVSA-N	242.622	-0.417	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)C(=O)NC1CC1	162614340	AHTJAFWPCYGCEI-YFKPBYRVSA-N	247.682	-0.282	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCn1ccnn1	163919369	BKXLILJNUXJAAC-ZCFIWIBFSA-N	245.670	-0.269	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)CS(C)(=O)=O	167617930	BDFQWYPPUNGLJG-RXMQYKEDSA-N	249.741	-0.465	50	10	BBGE	
CN(C)CCN(C)Cc1ccccc1B(O)O	203413796	VLGSBQOMAZWLNT-UHFFFAOYSA-N	236.124	-0.640	50	10	BBGE	
CC(C)[C@H](N)C(=S)N[C@H](C)B(O)O	210105311	FCIPTNLVYILXGV-RITPCOANSA-N	204.104	-0.713	50	10	BBGE	
COC(=O)N[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	228340580	ODMDATLKJMMREY-JGVFFNPUSA-N	244.295	-0.815	50	10	BBGE	
CCOC[C@H](NC(=O)CCl)C(=O)O	238291898	RXWQCFFRMYCROI-YFKPBYRVSA-N	209.629	-0.169	50	10	BBGE	
OB(O)c1c(Br)ccnc1O	238614453	GLCRYAHNFPITII-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2[nH]cnc2c1	259016128	PBHHRJSGXPHPMQ-SSDOTTSWSA-N	219.248	-0.057	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)C(C)(C)O)c1C	277941433	KQGYDVWCEYXBFP-UHFFFAOYSA-N	240.263	-0.442	50	10	BBGE	
C[C@@H]1CN(C)CCN1[C@H](C)C(=O)NN	300354291	FFPCYPIYPVKRJM-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
CNC(=O)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	300775918	DUTBLHYLMALWEK-BQBZGAKWSA-N	247.320	-0.997	50	10	BBGE	
NNC(=O)[C@H]1NC(=O)C[C@@H]1C(F)(F)F	306603756	DODNSNRKPULMQY-OKKQSCSOSA-N	211.143	-0.957	50	10	BBGE	
CS(=O)(=O)n1cc(CBr)nn1	307126236	AKHAXNGCJCLGMA-UHFFFAOYSA-N	240.082	-0.019	50	10	BBGE	
CN1C[C@@H](NC(=O)C(C)(C)CCl)C(=O)N1	307210740	MXTXIDDMVBYALQ-ZCFIWIBFSA-N	233.699	-0.287	50	10	BBGE	
CC(C)NCCn1ncc(C(=O)NN)c1N	309196324	SYUKYMCTYXOJKL-UHFFFAOYSA-N	226.284	-0.933	50	10	BBGE	
NC(=O)NN=CC(=O)/C=C/N1CCOCC1	309329030	UEUYLRMJDKSVSD-YRQZUTJYSA-N	226.236	-0.945	50	10	BBGE	
CC[C@@H](C=NNC(N)=O)[C@](C)(O)C(=O)O	379700567	OXQLQXWQNCPHBO-XNCJUZBTSA-N	217.225	-0.498	50	10	BBGE	
COC(=O)[C@@H]1SCCC1=NNC(N)=O	383977372	SZBJVNNNRYWTCH-RXMQYKEDSA-N	217.250	-0.311	50	10	BBGE	
C[C@H](O)[C@H](C)N=c1[nH]c(CCCl)nc(=N)[nH]1	387052067	UBXINTVYGPJANU-WDSKDSINSA-N	245.714	-0.331	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)co2)C[C@H]1O	388716808	ZFQSQVAIMOISHF-OIBJUYFYSA-N	239.275	-0.304	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1C[C@@H]2CC[C@H](C1)N2C	394163870	LWVRRRZOWMZGFS-NFLHVTIKSA-N	240.351	-0.078	50	10	BBGE	
O=C(O)CCc1cccc(B(O)O)c1F	396024889	MDJWARZOMWLYIO-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cccc(B(O)O)c1C=O	396058906	PIPUEDWWMUWOET-ZCFIWIBFSA-N	240.451	-0.011	50	10	BBGE	
O=Cc1c(CO)c(B(O)O)cc2ccsc12	396355094	GUSUUABDVDQBIE-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(CCC(=O)NN)C1	398862901	WVONEFUQJPZJBP-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H](C)OC1	401586719	TVPQNPVPXWLCNS-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
CSCC(=O)Nc1cccc(B(O)O)c1	404921206	VDVDVGIJMYMJQR-UHFFFAOYSA-N	225.078	-0.332	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	404972151	QYFQDLOJOGPWQA-YUMQZZPRSA-N	234.064	-0.254	50	10	BBGE	
Cc1cc(COc2cncc(B(O)O)c2)nn1C	688110640	ORDRJQSGOXDBCI-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnc(O)[nH]2)CC1	692108513	UTDSVFBZNLYRRU-UHFFFAOYSA-N	236.231	-0.394	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@]1(C)CO	694663848	XSCUOKSARKNIDN-WCBMZHEXSA-N	215.297	-0.683	50	10	BBGE	
CCN(C)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703470839	UMMSNCBVUMSPQS-IUCAKERBSA-N	226.276	-0.146	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)OCCl	707481054	DGCMVUWRBNZLKH-UHFFFAOYSA-N	219.632	-0.025	50	10	BBGE	
CCC[C@]1(O)CCCN(CC(=O)NN)C1	710193075	BVGUYSOYLXMISR-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)C(=O)NN)C12CCC2	713152819	KRPSZFKHLMGAHZ-RNFRBKRXSA-N	227.264	-0.950	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718261724	ZFQXMBIXINXMGO-FNCVBFRFSA-N	211.265	-0.915	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@]2(C)CCOC2)n1C	856046600	NSVWFLXWJOFBMY-JTQLQIEISA-N	239.279	-0.007	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CCNC(N)=O	862505763	VAONYTUZTGQSKO-UHFFFAOYSA-N	237.263	-0.687	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)CN(C)C)C1	896129306	ROZOSWXIJLPWMZ-JGVFFNPUSA-N	229.280	-0.880	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C)CCCO1	910165382	HNQSYCTXADOZKW-PSASIEDQSA-N	216.281	-0.101	50	10	BBGE	
COC(=O)NNC(=O)c1cn2c(n1)CCC2	1327191268	YRDCHEHUHCTNSE-UHFFFAOYSA-N	224.220	-0.170	50	10	BBGE	
NNC(=O)NCCS(=O)(=O)CC(F)(F)F	1327472366	QLFHNUIRXWSJIB-UHFFFAOYSA-N	249.214	-0.864	50	10	BBGE	
COC(=O)c1cc(C(=O)NN(C)C(N)=O)no1	1344525151	ZZNXQEQGMDUIII-UHFFFAOYSA-N	242.191	-0.884	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=S)NC(C)C	1624260162	PTWAOSWUPHXJIL-MRVPVSSYSA-N	244.364	-0.016	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NN	1880022462	DFJXQUNYYBULQI-NKWVEPMBSA-N	245.279	-0.484	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2NC(=O)O[C@@H]2C1	1884553532	JOAUMFOTQJQRFD-LYFYHCNISA-N	215.640	-0.090	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(CC(=O)NN)C1	1888274901	OZLAUEXMYLKFSI-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@H]1CF	1888819531	VHSWEDCDQFUPSU-GJMOJQLCSA-N	203.261	-0.098	50	10	BBGE	
COC[C@H](ON)C(=O)NC[C@@H]1C[C@@H]1Cl	1893129947	ZCHKESSSQCIHFH-ACZMJKKPSA-N	222.672	-0.365	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N(CCO)C1COC1	1893470924	XXPAWEKJEPIPSC-SFYZADRCSA-N	219.668	-0.167	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc(F)ccc1=O	1893840660	UZILLLKDTWNHLK-ZCFIWIBFSA-N	213.212	-0.072	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C(C)(C)C	1896187840	HOYGVIHHXCTVBR-HLTSFMKQSA-N	229.324	-0.154	50	10	BBGE	
OB(O)c1csc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)n1	1898198653	OGRNBYZYMFYQOY-DBRKOABJSA-N	237.089	-0.144	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]1CN)S(=O)(=O)C1CC1	1901343565	XZXMLQSVTDUDDQ-POYBYMJQSA-N	247.320	-0.964	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H](N)C1CC1	1901375399	LJUCGVMZHZZYMW-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
OB(O)c1csc(OCc2ccncc2)n1	1901613416	MJSSPAZTFMFLOE-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
CN1C[C@@H](CN2CC[C@@H](B(O)O)C2)CC1=O	1902511304	GFKIQJOPDNHZRF-DTWKUNHWSA-N	226.085	-0.987	50	10	BBGE	
COC1(C(=O)N2CC[C@@](C)(B(O)O)C2)CC1	1902517914	MZBPVXUAKLKYBS-SECBINFHSA-N	227.069	-0.369	50	10	BBGE	
Cc1cc(C(=O)N2CCSC2)oc1B(O)O	1902724503	DAZDNVUPEXOLFB-UHFFFAOYSA-N	241.077	-0.586	50	10	BBGE	
Cc1scc(C(=O)N2CC[C@H]2C)c1B(O)O	1902866319	VRUNYGXEFYNKMX-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
C[C@@H](CCO)Nc1cc(B(O)O)c(F)cn1	1903010322	OMUWTHNJQHINJG-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
CCC[C@@H]1CN(C(=O)NN)C[C@@H]1CO	1905246883	JGWJIYUPRFHYKI-HTQZYQBOSA-N	201.270	-0.090	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@@H]32)n1	1907080993	RGIDYBPXHACNMK-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
CN(C1CC(O)C1)[C@@H](C(=O)NN)C(C)(C)C	1914601668	UNRJIRITKNDORK-HACHORDNSA-N	229.324	-0.154	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCOCC1(C)C	1929909892	UWIYDQMSDDDIIF-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)N[C@H]1CCOCCC1(F)F	1932856592	LBMSITAVXOKNLX-YFKPBYRVSA-N	209.196	-0.026	50	10	BBGE	
CCSC1CN(CCOCC(=O)NN)C1	1933226183	STQASAXMIDWZLB-UHFFFAOYSA-N	233.337	-0.570	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936089169	APGKXBZMJODNGG-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)c1coc(CN2CCCCO2)n1	1937124270	MXXOZBPXDMLMJJ-UHFFFAOYSA-N	226.236	-0.195	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1Cl	1937148009	YLDOZCUFCYCQAR-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC(C)(C)CO	1938122338	NQPHMEGLLCKFGB-BDAKNGLRSA-N	231.340	-0.049	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C(F)(F)C12CCCC2	1938927631	HWXREXDBEBJDMD-SSDOTTSWSA-N	233.218	-0.330	50	10	BBGE	
CC(C)N1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941081822	CQYYRDGRJRRVOL-WDEREUQCSA-N	240.351	-0.362	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@H]1C[C@@H]1C(=O)NN	1941086484	IVUYSLGMZIXKCE-BDAKNGLRSA-N	242.323	-0.978	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@@H]1C[C@H]1C(=O)NN	1941497983	FBFSJSPUHBCBEJ-NKWVEPMBSA-N	239.235	-0.274	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](C2CC2)[C@@H](O)C1	1943083697	PDLZQQOKYPSOAD-DBIOUOCHSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1944298744	OLNANSBTCOMWRQ-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
COC[C@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1946478766	IBBGHTFIXNLIID-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277593	QRNLXBSAORKTEJ-DAWVFNFOSA-N	239.319	-0.400	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@H](N)[C@H](O)C#N	1952950819	PACVQAZJIOBJNB-PHDIDXHHSA-N	211.181	-0.787	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C[C@@H](O)CCl)C1	1956251791	JOPXIBYZAOOOJR-SFYZADRCSA-N	220.700	-0.346	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)NNCCO)C1	1956491177	LPRHAPFJRZEIKT-OCAPTIKFSA-N	202.254	-0.585	50	10	BBGE	
O=C(CCCCl)NCc1nc(=O)o[nH]1	1956989651	INSIHIYBJGZNOV-UHFFFAOYSA-N	219.628	-0.002	50	10	BBGE	
N#C[C@@H](Cl)CN(C1CNC1)C1COC1	1957257977	XHRUPDKVTJISAU-SSDOTTSWSA-N	215.684	-0.210	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H]1[C@H]1C[C@H]12)C(=O)NN	1958447103	YIGUMNAETGEDPE-WYCDGMCDSA-N	209.293	-0.047	50	10	BBGE	
Cn1nnc2c1CCN(C[C@@H](O)CCl)C2	1961288267	GUBDSFUDGJIVHI-ZETCQYMHSA-N	230.699	-0.227	50	10	BBGE	
C[C@@]1(C(F)F)CCN(C(=O)C(=O)NN)C1	1962282309	MUZXNUTWLMDHFR-MRVPVSSYSA-N	221.207	-0.520	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)cc2)C1	1963750631	YMSWIBXNQIVYEN-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)N[C@H](CB(O)O)C(=O)O	1976978597	ASVKSWFJVHDPAP-KCRUCZTKSA-N	229.041	-0.925	50	10	BBGE	
CCCCNC(=O)N[C@H](CB(O)O)C(=O)O	1976986622	CIYKUTBTPFQSAM-ZCFIWIBFSA-N	232.045	-0.988	50	10	BBGE	
CC(C)(CN1CCOC2(CC2)C1)C(=O)NN	1980206282	XNLUIXUPQHEMOJ-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C(CO)CC1	1980960557	HQQWLWHEANFDPU-SECBINFHSA-N	227.308	-0.231	50	10	BBGE	
OB(O)c1ccc(Sc2cccnn2)nc1	1981454953	RNLBOPIMBBUFRE-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@H]21	1984032078	CZZMRYDQRGZQKN-ZOZBQHSOSA-N	225.292	-0.933	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)C[C@@H](F)C1	1985769318	JDMMVDXVWGJFBR-OLQVQODUSA-N	243.204	-0.007	50	10	BBGE	
CO[C@@H](C)COCc1nc(C(=O)NN)co1	1986049498	SKJMWNDXJZJNPZ-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)N2CCOC[C@H]2C1	1986928919	DBLFEZOAIRJLPJ-HTQZYQBOSA-N	246.694	-0.317	50	10	BBGE	
CN1CC[C@@H](NC(=O)NC(=O)CCl)CC1=O	1987940444	JRIITHHBJUKGJN-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
OB(O)c1cncnc1Oc1cccnc1	1988363933	VMPVJJTWHYWDCF-UHFFFAOYSA-N	216.993	-0.656	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CSC2CNC2)O1	1990164523	OPSGSKXBFDSAQP-VXNVDRBHSA-N	245.348	-0.381	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	1991326148	DEKSIFRNHZOPHZ-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
CCC[C@@H](COC)C(=O)NCC=CB(O)O	1991335855	ZUXDIRBLQOTZKD-VIFPVBQESA-N	229.085	-0.267	50	10	BBGE	
CN=c1nc(OC)[nH]c(=NC[C@H]2C[C@H]2Cl)[nH]1	1991455538	LUYHLJRJHBZWBI-PHDIDXHHSA-N	243.698	-0.195	50	10	BBGE	
C=C(CN1CC(c2cnn(C)c2)C1)B(O)O	1992146911	XNBLJQUWBWHRJD-UHFFFAOYSA-N	221.069	-0.613	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)C1CC1	1992836773	PWZPOMMUUOOJDO-UHFFFAOYSA-N	219.049	-0.399	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCOCCOCC1	1997203192	MFMZTCAOJUNOJZ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@]12CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@]1(CO)C2	2001045215	GGDKBPOPDTYVDN-QSFUFRPTSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	2002477176	HHEJRNRMPPBCAP-GHXJOQNMSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@]1(C)CO	2003269397	WGDBYDWYJZIFQX-NGZCFLSTSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cnc(N2CCCC(F)(F)C2)nc1	2004911719	KCUKWHYOZRGHNA-UHFFFAOYSA-N	243.022	-0.608	50	10	BBGE	
CO[C@@H](COc1ncncc1B(O)O)C(C)C	2004928022	AEAIZBMLOMPNHL-VIFPVBQESA-N	240.068	-0.794	50	10	BBGE	
CC(C)[C@@H](C)n1cnc2c(B(O)O)ncnc21	2007067639	ZZBDPGAZSOJMBQ-SSDOTTSWSA-N	234.068	-0.277	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1C[C@@H]2C[C@H]2C1	2008840775	RCCLOGJNTCZSJF-NXEZZACHSA-N	233.076	-0.426	50	10	BBGE	
Cc1nn(C[C@H]2OCC[C@H]2F)c(C)c1B(O)O	2009186103	MAGKTIUUVQQGFB-RKDXNWHRSA-N	242.059	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2cccnc2=O)C1	2010832702	KPUCEPMMMMGQHB-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N2CCCC[C@@H]2C1	2013241545	QVCPRAFJQUJIAX-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
CO[C@H](C(=O)N[C@H]1CCC=C1B(O)O)C1CC1	2020068032	NMSSTRZTRXRPFN-UWVGGRQHSA-N	239.080	-0.372	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)cn2)ccc1C#N	2035946729	LRICCGORUYWCAB-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
CN(Cc1ccncc1)c1ncccc1B(O)O	2052490752	FVEYORJZJBVAGI-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC=C[C@@H]1CO	2056277874	RZCOCKXGPRLOJT-SECBINFHSA-N	248.286	-0.582	50	10	BBGE	
CCOc1cc(B(O)O)cc(F)c1[N+](=O)[O-]	2060120276	AXDRWFVHXWVYFC-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1cc(OC(F)F)c(C=O)c(B(O)O)c1	2060330665	UNFAZMDQFUWKGM-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@H]2COC[C@@H]21	2066307602	BQGAZJPWUPHWNJ-KWQFWETISA-N	248.286	-0.484	50	10	BBGE	
C[C@@H]1C[C@@]1(C)Cn1cnc2c(B(O)O)ncnc21	2070919407	WRAJUYOMGFWRIH-HQJQHLMTSA-N	246.079	-0.448	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1ncn(C)n1	2077056724	XNMPCNYBFQRYID-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@@H]2CSC[C@@H](C2)C1	2211683879	WTDOFCRFSDFPFL-BRPSZJMVSA-N	243.137	-0.106	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(CCCO)C1	2212384615	VWFBUSXBEJFQBW-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H](C)CN(C)c1cc(B(O)O)ccn1	2212603053	MNIZLWGVHNEZFT-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
C[C@@H](COc1cc(B(O)O)ccn1)N(C)C	2212607094	FWVRGPGRRYRSFI-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2(CCCO2)C1	2215772769	PWWZOGVWQZPIEL-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2[C@H](CO)[C@@H]2C1	2215773458	SQJXCSYOQXQTPV-HWUMTFDVSA-N	239.319	-0.827	50	10	BBGE	
COC[C@@H](C)[C@@H](C)Nc1ncc(B(O)O)cn1	2217178708	ANZWMIBRIWCKAF-HTQZYQBOSA-N	239.084	-0.761	50	10	BBGE	
OB(O)c1ccnc(N2CC3CC(C3)C2)c1F	2217185161	UNGSRRUPCCOADT-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1nccc(B(O)O)c1F	2217189845	JNFKGWFREYSNIW-POYBYMJQSA-N	241.027	-0.686	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@H](C)COC	2217195404	JVOSHAQRSRTAGA-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C=CCCC2)[nH]c1	2217197485	MZZCJJNFVOVORW-JTQLQIEISA-N	232.092	-0.049	50	10	BBGE	
C=C[C@@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2220062750	ILOASUYGVBMZGJ-CYBMUJFWSA-N	247.103	-0.511	50	10	BBGE	
CN(Cc1cnccn1)C[C@@H]1CC[C@@H]1C(=O)NN	2221571882	IEVKSZPOIVWCAQ-ONGXEEELSA-N	249.318	-0.076	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3NCC[C@H]32)cc1B(O)O	2223643728	ZOSIQRIRICSMPH-FBIMIBRVSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCNC23CC3)nc1	2223652129	BTCQETIYYXHHHD-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)C[C@H](N)C2)cc1B(O)O	2223653764	UNXJAFHDNGFRDS-WPRPVWTQSA-N	249.123	-0.757	50	10	BBGE	
C[C@H]1CC[C@H](CN=c2ncc(B(O)O)c[nH]2)CC1	2223669440	JUEHOQQBGSULKO-MGCOHNPYSA-N	249.123	-0.184	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1cscc1B(O)O	2243347147	HVGQLTSNVJEDEN-YLWLKBPMSA-N	243.068	-0.484	50	10	BBGE	
CO[C@@H]1C=C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243368391	HUOJSXXNCRXBJW-HTQZYQBOSA-N	225.053	-0.547	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N(C)CCF	2243382021	KLDKCPXVAZASLQ-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1N	2243391076	GCQYMUJAWNNCES-HSNKUXOKSA-N	226.085	-0.909	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243391155	HCOPBFFMYQEBNE-XAVMHZPKSA-N	227.069	-0.610	50	10	BBGE	
O=C(NCCCCCCO)[C@H]1C[C@@H]1B(O)O	2243395701	AVFIIOHLCOOAEF-IUCAKERBSA-N	229.085	-0.482	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1ccoc1B(O)O	2243400180	WXZIWKFFRZIJAG-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
CC(C)C1CCN(C(=O)C#CB(O)O)CC1	2243400824	IESXGVUCCYPUCC-UHFFFAOYSA-N	223.081	-0.104	50	10	BBGE	
COCC[C@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243404679	SCPOPBAEFRMCIS-CIUDSAMLSA-N	229.085	-0.362	50	10	BBGE	
O=C(N1C[C@@H](F)C[C@H](F)C1)C1(B(O)O)CC1	2243408803	VOOPLYIOQMKZGO-BQBZGAKWSA-N	233.023	-0.098	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)OC	2243419964	JUOPYKUOSSYDHQ-IWSPIJDZSA-N	229.085	-0.219	50	10	BBGE	
C=C(CS(=O)(=O)NC1[C@@H]2CCC[C@@H]12)B(O)O	2243433837	QTFFGEBCVQOGBS-HTQZYQBOSA-N	245.109	-0.728	50	10	BBGE	
O=C(O)C1(NC(=O)C2(B(O)O)CC2)CCC1	2243753044	PWILGCWJFSNNSV-UHFFFAOYSA-N	227.025	-0.883	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC[C@H]2C1	2247744073	NBXYADYVWDWEKR-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CNC[C@H]21)C1(B(O)O)CCC1	2247753248	DHANYGYHAHJLSG-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
O=C(N1CC[C@H]2CCN[C@H]2C1)C1(B(O)O)CC1	2247758638	WAJWSQCWXVDWLD-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCCNC1	2247800643	RCFMXTIPUJIEDQ-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
CCn1nccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247804554	HLUCBEVZHZCZCK-DTWKUNHWSA-N	237.068	-0.618	50	10	BBGE	
O=C(NCC12CCC(CC1)O2)[C@@H]1C[C@H]1B(O)O	2247805068	ARLOUNXEANQVPO-VCZAYRLQSA-N	239.080	-0.323	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247855003	MASFHYQDMKVLFS-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)cn1C)C(C)C	2247872996	BZXPGLUMTPPSKM-UHFFFAOYSA-N	240.068	-0.883	50	10	BBGE	
CNC(=O)c1cc(B(O)O)cc(C(F)(F)F)c1	2247886994	IZDHOMIYSKZFQX-UHFFFAOYSA-N	246.981	-0.255	50	10	BBGE	
O=C(NCCc1ncc[nH]1)C1CC(B(O)O)C1	2247891237	GYLPJEFOQCMMRZ-UHFFFAOYSA-N	237.068	-0.679	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894458	GZXKISPCURBJQE-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CCOC(=O)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2247895657	UUONQBQPPCTIRL-YUMQZZPRSA-N	243.068	-0.739	50	10	BBGE	
CCC1(CNC(=O)C2CC(B(O)O)C2)COC1	2247908864	BGEZTABBWYZNTN-UHFFFAOYSA-N	241.096	-0.218	50	10	BBGE	
OB(O)C1CCN(CCO[C@@H]2CCOC2)CC1	2249355252	NRNBKQXZHCOJOT-LLVKDONJSA-N	243.112	-0.269	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2255454582	PZYYYRMJQLJCDN-MYJAWHEDSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CCC[C@H]2C1	2255488968	MKWCRNQGEPEDNY-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ncccc1B(O)O	2255521491	XDTRGIGOUNAZHQ-SECBINFHSA-N	246.075	-0.707	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(C)ccc1B(O)O	2255729992	DNBUXMUCYLIXTC-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
O=C(NCc1ccncc1)c1occc1B(O)O	2255738454	SVVRVAJIZILICL-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@H]1C2	2255764257	ZABWBGYYYPIBKC-PTZCXBDSSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H](O)CN(C[C@@H]1CC[C@H]1C(=O)NN)C1CC1	2298165332	TUYYXQDPPNXWKK-WCABBAIRSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC[C@@H]3C[C@H]23)[nH]c1	2298225562	HTWCJQGAAQWDNC-KKZNHRDASA-N	232.092	-0.359	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2C[C@H]12)C1(B(O)O)CCC1	2298368171	RERCFDSTBMDGGD-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@H](C2CC2)C1	2298369375	SDYMMVVHZDNSCR-AEJSXWLSSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2OCC[C@@H]2C1	2298371346	IZEKEENCEAHJLY-KATARQTJSA-N	239.080	-0.513	50	10	BBGE	
C=C(CN1CC[C@@H]2CCCN(C)[C@@H]2C1)B(O)O	2299137283	OSNDMGAEASXLGQ-NWDGAFQWSA-N	238.140	-0.029	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(CCF)CCF	2301659215	FGNAIXXUGWIICF-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2302059078	LCYCJQBRDXKJLP-GUBZILKMSA-N	247.314	-0.060	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C[C@H]1CCO1	2302405229	HHJGKRSAHWOHRC-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
C#CC(C)(C)CNc1cc(B(O)O)c(F)cn1	2303847723	NFYGQERREXYVRE-UHFFFAOYSA-N	236.055	-0.028	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	2312518787	PYVGVPQPAWVSNK-XSOQRLTHSA-N	249.314	-0.131	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@@H]2C[C@H]1CO2	2312742578	PMCMRRUVTLOKQT-NGZCFLSTSA-N	248.091	-0.259	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCN[C@@H]3C[C@@H]32)CC1	2320722278	VVAFBLVGDMGXKZ-GMTAPVOTSA-N	249.314	-0.139	50	10	BBGE	
C[C@H](SS(=O)(=O)O)C(=O)NCC(=O)O	33877017	HMAJPWMZGKMWSD-VKHMYHEASA-N	243.262	-0.888	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)CCN1C	82485318	NCULLKQDNNDMHM-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
Cn1nnnc1SCCCCCC(=O)NN	82719874	RREYWYGZFZYQFM-UHFFFAOYSA-N	244.324	-0.148	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)CCCCl)C1=O	84083757	GHYMQWCVKXYQMG-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CC[C@H](C1)O2)C(=O)NN	85541981	FGFFNPSQFIXMQP-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
Cc1cnc(=O)n(CC(C)(C)C(=O)NN)c1	86598212	KIVDXYFOIXYCNU-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
N#C[C@H]1CN(S(=O)(=O)CCl)CCO1	86656991	VGNWHHXSODNOSZ-LURJTMIESA-N	224.669	-0.263	50	10	BBGE	
Cc1cc(=O)n(Cc2cc(C(=O)NN)co2)cn1	110579727	SQEZTFURTXLRCT-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
Cc1nc(C)c(C(=O)NNC(=O)CO)nc1C	186446915	DWSREHSBFRPJBQ-UHFFFAOYSA-N	238.247	-0.845	50	10	BBGE	
OC[C@@H]1COCCN1C[C@@H](O)CCl	228068136	GUXJGEJBTMITHE-SFYZADRCSA-N	209.673	-0.721	50	10	BBGE	
O=C(NCCNS(=O)(=O)CCl)C1CC1	229366017	BERKVKYFCCBRQD-UHFFFAOYSA-N	240.712	-0.372	50	10	BBGE	
COC[C@H](OCCOC(C)(C)C)C(=O)NN	232418653	LZEPQFPXTJXNBP-QMMMGPOBSA-N	234.296	-0.177	50	10	BBGE	
NNC(=O)c1cccc(CO[C@H]2CCOC2)n1	236237726	PPIRXSSZNUNMFV-VIFPVBQESA-N	237.259	-0.009	50	10	BBGE	
CNNC(=O)c1cc(OC)cc(N)c1N	238308096	LNOIULDICYZMHM-UHFFFAOYSA-N	210.237	-0.276	50	10	BBGE	
O=C(NCCCCl)N(CCO)CCO	242861006	GFGDRNKXJYATQL-UHFFFAOYSA-N	224.688	-0.389	50	10	BBGE	
CNNC(=O)Cc1ccc2[nH]c(=O)oc2c1	259003716	NEPMNULTSWGCPP-UHFFFAOYSA-N	221.216	-0.086	50	10	BBGE	
Nc1cc(B(O)O)cc2c(O)csc12	306864936	LFMHAFXCWUTRNH-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(CCCCl)N[C@@H]1COC[C@H]1O	323111412	HJHPMXURSAPTIF-RNFRBKRXSA-N	207.657	-0.119	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CCCCC(=O)NN	384859390	DCWFBBPTNRGBET-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)CCCCCN(CCO)CCCO	385721764	VWVJEEJEPTZSNR-UHFFFAOYSA-N	247.339	-0.787	50	10	BBGE	
O=C(CCCl)c1ccc(B(O)O)c(O)c1	396025787	VGEVPRPUKWUPCY-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(C#N)c1	396101252	QQSIMDGALSODQC-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
OCc1cccc2c(O)c(B(O)O)sc12	396334093	BOONCEBOKRKRDL-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=Cc1ccc2c(B(O)O)c(CO)sc2c1	396341393	TYMQSPGMNFSYRI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1csc2c(B(O)O)c(O)ccc12	396375517	CUMLLJWTJHBCNL-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CSSCCNC(=O)[C@H](N)CC(N)=O	397747436	ZKHWXJLSDSQPAX-RXMQYKEDSA-N	237.350	-0.684	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC[C@@H]1C	399447564	YLPTUPNASZQTKI-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](CC(=O)NN)SC[C@H]1CN(C)CCO1	400784309	QUDVRLLLFYXCKV-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCCOC1)C(=O)NN	401601637	DZFIHUYRQFMPEU-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(B(O)O)c(F)c1	404951407	VVAAYNAAAMXSER-MRXNPFEDSA-N	245.084	-0.011	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1cccc(B(O)O)n1	405023066	KGLFUQZITFXOLT-SSDOTTSWSA-N	222.053	-0.254	50	10	BBGE	
CN(C)C(=O)NCc1ccccc1B(O)O	405151487	RVNKDWFPRKHCSB-UHFFFAOYSA-N	222.053	-0.862	50	10	BBGE	
NCCCSCC(F)(F)C(=O)NN	685957858	JFCBRUALPAGMQY-UHFFFAOYSA-N	213.253	-0.306	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)CCC(=O)NN	688168851	GGKGKHBBYPFQKC-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](CC(N)=O)C1	690736839	KLGGCRKCBVSRGC-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
O=S(=O)(CCl)N1CCC(CO)(CO)C1	694671842	GXKOTTAEGPYLAM-UHFFFAOYSA-N	243.712	-0.811	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)C[C@@H]1CO	698216027	RUGMIJQASPCKQL-PHDIDXHHSA-N	209.629	-0.253	50	10	BBGE	
CN(C)CC[C@H]1CCN(CC(=O)NN)C1	701447303	QBFXIOJCEDQXMR-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
O=C(NCB(O)O)c1ccc2c[nH]nc2c1	701932061	OCFXHQKQFUAPPU-UHFFFAOYSA-N	219.009	-0.695	50	10	BBGE	
C[C@H](CN1CCC[C@H](N2CCC2)C1)C(=O)NN	702241061	WDYJOQKKTJCXQH-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ncnn1C	707412016	SMYSKYQOFFIBOY-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708095587	VNCJWZNDNUCPPH-VWYCJHECSA-N	243.351	-0.049	50	10	BBGE	
C#C[C@@]1(O)CCN(C(=O)NC(=O)[C@@H](C)Cl)C1	708105397	ZGCHXMKUPUTIGR-GMSGAONNSA-N	244.678	-0.080	50	10	BBGE	
Cc1nc(Cl)cc(C(=O)NNC(N)=S)n1	723215020	BYQCMHDYVRUUSR-UHFFFAOYSA-N	245.695	-0.084	50	10	BBGE	
CSCCC(=O)NNC(=O)C(=O)NC1CC1	726619008	JGUWHINNZMJXHR-UHFFFAOYSA-N	245.304	-0.835	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)CN(C)C)C1	896129307	ROZOSWXIJLPWMZ-SFYZADRCSA-N	229.280	-0.880	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)c1ncccn1	1142468337	TZYNHRZCEYHMSU-ZETCQYMHSA-N	238.247	-0.744	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)Cc1ccon1	1255918772	GLONJCKULNSOAC-UHFFFAOYSA-N	227.220	-0.865	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)CCF)n[nH]1	1334222857	LXZAZZJRWXRKPP-UHFFFAOYSA-N	228.227	-0.232	50	10	BBGE	
COc1ccc(CCNC(=O)NN)cn1	1351546546	PEASKTAFGMQGQD-UHFFFAOYSA-N	210.237	-0.194	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccnc(F)c1	1567462436	BPZBWLCYOHIOGZ-UHFFFAOYSA-N	237.198	-0.650	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)C2CC2)o1	1623970149	COXZJGRFSWYPAN-UHFFFAOYSA-N	224.220	-0.522	50	10	BBGE	
CCOC(=O)C1(C(=O)NNC(C)=O)CCC1	1628978692	QEBZMIOJFJNCPL-UHFFFAOYSA-N	228.248	-0.113	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@]1(C)CC1(F)F	1641242556	AVYYQVNRNNHFNK-MRVPVSSYSA-N	235.234	-0.259	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc(O)nn2)n1	1651000759	GVFDUWVVGOFLHD-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
O=C(O)CNC(=O)[C@@H]1C[C@H]1Br	1877346999	FOEURMUKMMNKOP-QWWZWVQMSA-N	222.038	-0.029	50	10	BBGE	
CNNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O	1880023330	KOYBDZAMRDHIBZ-NKWVEPMBSA-N	247.295	-0.489	50	10	BBGE	
O=C(O)c1cc(B(O)O)c(Cl)s1	1881294145	YLPXFZAPCKQQEZ-UHFFFAOYSA-N	206.415	-0.221	50	10	BBGE	
CCS(=O)(=O)N(C)CCNC(=O)F	1882789990	RZDGBEMGSLLQBN-UHFFFAOYSA-N	212.246	-0.053	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2C[C@H]2Cl)C1=O	1883568037	SYTFXZJSIUCWJQ-QWWZWVQMSA-N	202.597	-0.308	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1883640765	VWOFMOJPRLBSES-BNHYGAARSA-N	207.657	-0.528	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1CN(C(N)=O)C1	1885619232	QFOZLPKXWARQIO-YFKPBYRVSA-N	219.672	-0.260	50	10	BBGE	
CCCCS(=O)(=O)NCC=CB(O)O	1892923486	GSZSTFRMSJFJPD-UHFFFAOYSA-N	221.087	-0.726	50	10	BBGE	
C=C(CN1C[C@@H](F)C[C@@H](F)C1)B(O)O	1895168751	CGSRNCPDGIHDFX-OCAPTIKFSA-N	205.013	-0.064	50	10	BBGE	
COC[C@H](N1CC(=O)OC(=O)C1)C(F)(F)F	1900073546	MMXSDNDXTDKMKZ-YFKPBYRVSA-N	241.165	-0.051	50	10	BBGE	
CCCNC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	1902505914	MVVFNJZTUGPTOG-IUCAKERBSA-N	228.101	-0.550	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	1905786513	FIUKDXZEWFASKW-AIGBEWNKSA-N	235.287	-0.521	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(CO)CCC[C@]2(F)C1	1907614636	KJWWKFZNCPFHOD-MIMYLULJSA-N	245.298	-0.449	50	10	BBGE	
CN(C)CCCOC[C@@H]1CC[C@H](C(=O)NN)O1	1908719913	VJOXSADDGBZYTB-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(CC(=O)NN)C1=O	1910364179	OTTFPWQJKDMBPC-OLQVQODUSA-N	213.237	-0.993	50	10	BBGE	
CCn1ccnc1CN(C)C[C@H](C)C(=O)NN	1913366817	KYYUGRCAOHVXCO-VIFPVBQESA-N	239.323	-0.039	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@]12CCC[C@@H]1C2	1913605438	IXHWQLQNIFINCO-PELKAZGASA-N	246.075	-0.110	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1CC1(F)F	1913632383	DCMCMXTUWQKWNC-RXMQYKEDSA-N	241.990	-0.645	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)[C@H]1CCNC1=O	1916840690	XNKDWVJBXMWCKU-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1918075381	ULYJBFWBTPPYBG-DELOJEAUSA-N	249.336	-0.643	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)C(F)(F)F	1923233033	KZPZMWSTRSCBSM-ZXZARUISSA-N	226.154	-0.533	50	10	BBGE	
CN(C)CCN(C)CC(F)(F)C(=O)NN	1927816871	TXCQZOJPLUCMDB-UHFFFAOYSA-N	224.255	-0.895	50	10	BBGE	
CC(C)(C(=O)NNCCO)[C@H]1CCCO1	1930214663	YYOIHSSCIHMGAQ-MRVPVSSYSA-N	216.281	-0.195	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C(C)(C)O)C1	1932096533	OASHVEMTVAPRCR-SSDOTTSWSA-N	215.297	-0.542	50	10	BBGE	
Cn1nnc(CN2CC(OCCCl)C2)n1	1932100591	HJLLKBLFNLNHMC-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1OCC[C@H]1C	1932221116	IFSPLPIVHYDNMQ-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C(=O)NN)[C@@H]1C	1934291714	NQCYTFIATMCDEY-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CN1C[C@@H](Cl)[C@@H](c2nnn(C)n2)C1	1935168800	DDPFLFQDRUNZAD-NTSWFWBYSA-N	201.661	-0.154	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NNC(N)=S)C[C@@H]12	1935502735	WQGIPWVOUBQBFZ-UUEMRFSQSA-N	215.278	-0.724	50	10	BBGE	
CCOc1cnn(CC(F)(F)C(=O)NN)c1	1935940414	CNNBHUZJCIJXLR-UHFFFAOYSA-N	234.206	-0.093	50	10	BBGE	
COCCOCCOC[C@H]1C[C@H]1C(=O)NN	1936093337	DADAGHMIYPYDAK-RKDXNWHRSA-N	232.280	-0.708	50	10	BBGE	
CO[C@@H]1COC[C@H]1N1CCC(O)(C#N)CC1	1937393153	JSMMZEHMEXHVNR-NXEZZACHSA-N	226.276	-0.249	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)CC1	1938247484	UHKZCOHOUSFOES-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CC[C@@H](Oc1cccn(C)c1=O)C(=O)NN	1939777060	VIAUBKTXYHYXHY-SSDOTTSWSA-N	225.248	-0.467	50	10	BBGE	
C[C@H]1CN(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941083856	TYMIVIIAJODHFH-GARJFASQSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941087227	WCFOVCGAWYBITG-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
CN1C[C@@H]2CC[C@@H](N3CC(=O)OC(=O)C3)[C@H]2C1	1944695570	RUVVXPBQSFZOBX-LPEHRKFASA-N	238.287	-0.288	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](C2CCOCC2)C1	1947536692	PQBIEIHIKHUDMC-VIFPVBQESA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)CCn1cccc(Cl)c1=O	1957227367	FRXJDTCINAHDLR-UHFFFAOYSA-N	215.640	-0.118	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C[C@@H](C)C(=O)NN	1958270163	QLEREBXVCVVVCV-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnco1	1959177653	KFBJGYSTZBOCQS-UHFFFAOYSA-N	212.253	-0.124	50	10	BBGE	
COC[C@@]12CN(CC(=O)NN)C[C@]1(C)C2	1960279485	ZYQLGBNASYNDJS-VHSXEESVSA-N	213.281	-0.665	50	10	BBGE	
O=C(NCB(O)O)c1ncoc1C1CC1	1960517248	CKRSWKQXWSHVAJ-UHFFFAOYSA-N	209.998	-0.706	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cc1	1965497802	QBQNBLDWWGBCBF-GDNZZTSVSA-N	245.087	-0.248	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1974542493	XCFBXBVMCUNVBB-FNCVBFRFSA-N	213.281	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1974595488	JRUXPFMXLZQUIW-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1C[C@H](O)C1	1975302830	HCVYGOJAABELOV-KYZUINATSA-N	215.297	-0.398	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1C[C@@H](CCl)CO1	1975559317	GATOOKQPYBFSSY-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	1976387342	JRLKWQZKEBBZGM-JBDRJPRFSA-N	223.276	-0.377	50	10	BBGE	
CN(C)NC(=O)N[C@@]1(C(=O)O)CCCOC1	1980637019	OXHYWTYYXUWTRS-VIFPVBQESA-N	231.252	-0.604	50	10	BBGE	
CN(CCn1cncn1)C(=O)NC(=O)CCl	1980759527	BWBMUQFUNXYGPC-UHFFFAOYSA-N	245.670	-0.315	50	10	BBGE	
CCn1ncc(CN(C)CCC(=O)NN)n1	1981348034	DLVKLUVSBOZGDI-UHFFFAOYSA-N	226.284	-0.890	50	10	BBGE	
CSCCCN(C)c1ncc(B(O)O)cn1	1981408612	CJIZYQZPDXCTEF-UHFFFAOYSA-N	241.125	-0.654	50	10	BBGE	
Cc1ncnc(O[C@@H](C)C2CC2)c1B(O)O	1981420488	LYTLGGHVNCYOJE-ZETCQYMHSA-N	222.053	-0.358	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CCC[C@@H]21	1981424500	URDYKSYVIPNEKS-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNC(N)=O)C[C@H]1OC	1982342215	BHUPRTTWVMSVSU-POBXSPIYSA-N	231.252	-0.874	50	10	BBGE	
CN=c1nc(OC)[nH]c(=NC2CC(Cl)C2)[nH]1	1983214688	ZLKUOBAJIWLHPF-UHFFFAOYSA-N	243.698	-0.053	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COC(C)(C)CO1	1983330726	SCRSBFSZLFVPNW-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
Cc1ncnc(O[C@H]2CC2(F)F)c1B(O)O	1985885836	YBWGHGQYJNDSKR-YFKPBYRVSA-N	229.979	-0.749	50	10	BBGE	
COC(=O)c1nnn([C@H](C)C(N)=O)c1CCl	1988544526	JAIRBXGEEXPEBO-SCSAIBSYSA-N	246.654	-0.150	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@@H]2C[C@H]2C1	1992153034	KXJINPQOEGFOOU-BBBLOLIVSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN1CCC[C@@H]1CS(C)(=O)=O)B(O)O	1992168234	XHCNFWURWDNBTN-SECBINFHSA-N	247.125	-0.936	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)[C@@H]2COC[C@@H]12	1996485670	UIPLENOECRFJOV-ZYUZMQFOSA-N	243.307	-0.900	50	10	BBGE	
C[C@H](CN1CCC[C@@H](OCCO)C1)C(=O)NN	2003871194	ADQCRAXHBPFDJT-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	2006200189	BFBWADICHKSAHX-RTCCRHLQSA-N	241.335	-0.029	50	10	BBGE	
CC1(Cn2cnc3c(B(O)O)ncnc32)CC1	2007064662	LTVITBDJNORXJX-UHFFFAOYSA-N	232.052	-0.694	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980184	RRLRQGOWVCXYQL-ZKKRXERASA-N	241.335	-0.154	50	10	BBGE	
Cc1ncnc(N(C)[C@H](C)C(F)F)c1B(O)O	2009012848	QXXLVWURQMWGDO-ZCFIWIBFSA-N	245.038	-0.445	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CC(n2cccn2)C1	2011123443	BNSWWFRDXRRVGI-IDKOKCKLSA-N	237.307	-0.103	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN(C)C2(CC2)C1	2014771080	DMEGUCPVHJKCGI-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCN(C)C1	2019207566	BZTNRWGCZQRHTN-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@@]3(CO)C2)CC1	2021656522	SCWKCXOITYNIOS-CABZTGNLSA-N	239.319	-0.539	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1ccc(C(=O)NN)o1	2023144073	RVPLXAQFKMFDPR-SECBINFHSA-N	239.275	-0.162	50	10	BBGE	
Cc1cc(NC(=O)c2cocn2)cc(B(O)O)c1	2031825259	PQVYMSNFTNUXHP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC[C@@H]2C[C@@H]21	2040236467	PIVBIEICJUEXTG-QNSHHTMESA-N	246.075	-0.254	50	10	BBGE	
Cc1ncoc1CN(C)c1ccc(B(O)O)cn1	2052463077	SSXFNHCRMVDBGU-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1nc(N2CCC[C@H]3CC[C@H]32)ncc1B(O)O	2052551697	ITCNXAMHHAAFMG-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@@H](C)[C@H]2C)c1B(O)O	2052553630	JRMONIXFMZMTMQ-QXFUBDJGSA-N	249.123	-0.054	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(F)c1	2052621096	BURFMDZGGBPGFJ-AAQQEJRNSA-N	248.066	-0.255	50	10	BBGE	
O=C(CC1COC1)NCc1ccccc1B(O)O	2056494077	QASLTVUERFLDDN-UHFFFAOYSA-N	249.075	-0.981	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@H]3C[C@@H]3CO2)c1	2058907726	VUIDIKPPJCDZIP-LNLATYFQSA-N	249.075	-0.435	50	10	BBGE	
CCOc1cc(OC)c(C=O)cc1B(O)O	2060133400	AGCVBLAHGLCTJT-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCc2ccc(B(O)O)cc2)C1	2063789258	LDGWABNYLMEXKE-BETUJISGSA-N	249.119	-0.024	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC(C2CC2)C1	2079008157	FMQLPYMVFBLFEW-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1	2079009230	FRPRRGVBNASDGW-MWLCHTKSSA-N	249.075	-0.869	50	10	BBGE	
C[C@H](CN(C)[C@H](CO)CC1CC1)C(=O)NN	2210716712	MQTIZGVHLMAQHW-SCZZXKLOSA-N	229.324	-0.295	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1CC[C@H]1C(=O)NN	2211839174	QQQFRTXMZWPJIP-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](O)CCN(C)CC1(C(=O)NN)CCC1	2212249222	MYMGUJLVWXFRMT-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC1(C)C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2212611521	AJUDFKRGYNUDBM-ZETCQYMHSA-N	221.069	-0.964	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@H]1CCC[C@@H]1O	2212901389	UAGRIPVWWJTTNX-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN(C)C[C@@H]1CCN1CC1(C(=O)NN)CCC1	2216534913	TVLFBSLZINNRKD-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cnc(=NCCCC(F)(F)F)[nH]c1	2217172155	HQZMTTRAAKPKKD-UHFFFAOYSA-N	249.001	-0.667	50	10	BBGE	
Cc1cnc(OCC2(C)CNC2)cc1B(O)O	2217172412	KBPCRWAIRIRGQE-UHFFFAOYSA-N	236.080	-0.942	50	10	BBGE	
CCOC1(CNc2ncccc2B(O)O)CC1	2217175178	FPHBXTBRRNLMSF-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]2CF)c1F	2217180925	LZRPFWXADCLWEQ-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
C#CC[C@H](Nc1ccc(B(O)O)cn1)C1CC1	2217183518	IWLJZFQVILKASR-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
NC[C@@H](COc1cc(B(O)O)ccn1)C1CC1	2217194184	ROQTXHLJFVEJQG-VIFPVBQESA-N	236.080	-0.875	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1c1cc(B(O)O)ccn1	2217197559	NULXFUGRNFJWHG-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)CCN1	2220061836	DRJKGJBTCBLGDU-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cnn(C)c1	2223626932	KLAIVIXSDVOAEE-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
C#CC[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2223639893	HQUDNSXEYZRRMR-SECBINFHSA-N	248.066	-0.250	50	10	BBGE	
Cc1n[nH]c(C)c1CNc1ncc(B(O)O)cn1	2223642759	NHCKLOXXTAPFIB-UHFFFAOYSA-N	247.067	-0.892	50	10	BBGE	
Cc1nccn1CCOc1cc(B(O)O)ccn1	2223652007	BFBOXFXAMKSPQJ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CC[C@H]1CN(c2ncccc2B(O)O)CC[C@@H]1N	2223666204	KWUFENDRKQTNRK-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
CN(O)S(=O)(=O)N1CC(Cl)C1	2241353599	JQCWJPDFFQZIPA-UHFFFAOYSA-N	200.647	-0.525	50	10	BBGE	
O=C(N1CC[C@H]1CF)C1(B(O)O)CC1	2241473543	MHFOERJELIBUGB-LURJTMIESA-N	201.006	-0.436	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCSCC1	2241494830	DSAGAMDIFUYMGQ-BQBZGAKWSA-N	215.083	-0.575	50	10	BBGE	
O=C(NC1CC(F)C1)c1nscc1B(O)O	2243346758	CCMIATOTZHAPNY-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243347802	QETUMOWBKYUHDA-SECBINFHSA-N	221.065	-0.135	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]1C1CCC1	2243356834	NMXYGXUATJBCOR-VHSXEESVSA-N	221.065	-0.303	50	10	BBGE	
O=C(N1CCC[C@@H](CO)C1)C1(B(O)O)CC1	2243364080	QMPBQLWBOMYFFG-MRVPVSSYSA-N	227.069	-0.776	50	10	BBGE	
CCOCCCCNC(=O)C1(B(O)O)CC1	2243366049	WRXDTAVIHGOOKU-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@H](C)O1	2243397195	XBGLISGMUCIUOH-XSPKLOCKSA-N	227.069	-0.515	50	10	BBGE	
O=C(NCC[C@H]1CCCN1)C1(B(O)O)CC1	2243399327	YYCZSPWOHCNGMV-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
O=C(C#CB(O)O)NCCC(F)(F)C(F)F	2243404369	NARFMINSGVXTFY-UHFFFAOYSA-N	240.949	-0.592	50	10	BBGE	
O=C(C#CB(O)O)NCC1CCC=CCC1	2243405117	ZVXVYAJEEOQPJG-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
C#CCCNC(=O)c1sc(C)cc1B(O)O	2243413440	GFKWTQAGLUVIBT-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
CC1(C)CC(=O)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243414486	BQYXXEUHSCFAHS-NKWVEPMBSA-N	225.053	-0.366	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)CO	2243419514	ASRKOAHLLIEKNE-JBDRJPRFSA-N	229.085	-0.628	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243426830	MNTTUDVYWIFKIU-VGMNWLOBSA-N	228.101	-0.565	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244332188	GOSRQJMTKPAGHG-WLRJLXCNSA-N	227.308	-0.687	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@H]1C2	2244496914	GONCVORKNWJYFY-IVZWLZJFSA-N	227.308	-0.278	50	10	BBGE	
C=C(CN(C)Cc1ccnnc1C)B(O)O	2245402571	AKDRATRETGMCDQ-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
C[C@@H](O)CN(C)c1cc(B(O)O)c(Cl)cn1	2245913725	XDBKHRRWJFUXGF-ZCFIWIBFSA-N	244.487	-0.768	50	10	BBGE	
OB(O)c1ccnc(N2O[C@H]3CC[C@H]2C3)c1F	2247071718	UJIDNEPDWKNLON-BQBZGAKWSA-N	238.027	-0.427	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@]1(C)C[C@H]1C	2247732097	BSJLHOJREFKABM-KSBSHMNSSA-N	237.064	-0.204	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)COC2	2247740736	OSCQSWFOYXEKML-UHFFFAOYSA-N	231.016	-0.329	50	10	BBGE	
CCC[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247748006	WHYGTJQHUYHCML-QMMMGPOBSA-N	238.096	-0.140	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)cn2C)CC1	2247762173	GHMBNPVFHYAVPM-UHFFFAOYSA-N	234.064	-0.847	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)cn1C	2247762971	KSHVFFSGNJYZAR-UHFFFAOYSA-N	234.064	-0.834	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1CC=CC1	2247764879	UZHCWRPUECRVFJ-UHFFFAOYSA-N	234.064	-0.847	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ncccc1B(O)O	2247769945	MKEJNUDNHYRRQA-MRVPVSSYSA-N	236.080	-0.320	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@H](B(O)O)C2)cnn1C	2247797417	JMSYHHHPGWGQGI-ZKCHVHJHSA-N	237.068	-0.080	50	10	BBGE	
Cc1nnc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)o1	2247799884	JGLVNSYKVKVJRY-NKWVEPMBSA-N	239.040	-0.801	50	10	BBGE	
Cc1noc(C)c1CNC(=O)[C@H]1C[C@H]1B(O)O	2247809453	ZLVLDYOPBPIYHR-IONNQARKSA-N	238.052	-0.229	50	10	BBGE	
CC(C)(C)OCC1CN(C(=O)C#CB(O)O)C1	2247848534	NBWVTZOMAZEBDT-UHFFFAOYSA-N	239.080	-0.725	50	10	BBGE	
CCN(CC)C(=O)c1nn(CC)cc1B(O)O	2247854273	ZXKLEIDDTQJSTF-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1CC=CC1	2247869421	RFSZTNOXVGQIFJ-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=C[C@H]1CF	2247869655	WGPLCFZOCCUGPC-ZETCQYMHSA-N	239.011	-0.691	50	10	BBGE	
O=C(NC[C@]12C[C@H](CCO1)C2)C1(B(O)O)CC1	2247871335	ZSZJUJWTZCKCHI-WAAGHKOSSA-N	239.080	-0.321	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)C1CC(B(O)O)C1	2247892620	DOTPXTUSNBTDNR-UHFFFAOYSA-N	243.112	-0.141	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894906	LZIILFPTCUURJP-XSPKLOCKSA-N	237.064	-0.366	50	10	BBGE	
N[C@H]1[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247896775	KDKNOIGZLVRQID-WLRJLXCNSA-N	238.096	-0.813	50	10	BBGE	
CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897144	OPDMJKGLCMPJTG-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
COC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897450	SJVUQKYYSUXDCE-UTLUCORTSA-N	241.096	-0.266	50	10	BBGE	
N[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904879	RGFBDRFWNLRXLD-CKEKPRIKSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1CNC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247906596	YSXBTCOZOCPTRS-AATLWQCWSA-N	240.112	-0.789	50	10	BBGE	
CC#CC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2248429093	IXMZIEFVPDZAEZ-VIFPVBQESA-N	231.060	-0.433	50	10	BBGE	
O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2248573196	AOKSDPPPVWBWNG-SFYZADRCSA-N	241.052	-0.685	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1C[C@@H](C(=O)O)C1	2248592182	YBQKLEYNGWLHEW-KNVOCYPGSA-N	241.052	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)CCN(C)C	2250967134	AAAFQTQJMJFHKS-ZJUUUORDSA-N	246.355	-0.737	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@H]2CF)nc1	2251074889	UBOIPDMYURFUAZ-CBAPKCEASA-N	239.059	-0.294	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	2255469015	JQWMBNOMIHHAFH-CSYMLDBXSA-N	247.103	-0.057	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21	2255493686	BUHVXMLWFCEWKJ-FKTZTGRPSA-N	248.091	-0.767	50	10	BBGE	
C=CC1CC(NC(=O)c2cc(C)c(B(O)O)o2)C1	2255576525	HJUHGZLMWONMQM-UHFFFAOYSA-N	249.075	-0.038	50	10	BBGE	
O=C(Nc1cccnc1)c1cncc(B(O)O)c1	2255714872	XHYVXYLWSXRDNJ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)cc(B(O)O)c1F	2255790085	RQCCTRJTVDZGOK-QMMMGPOBSA-N	249.050	-0.435	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298370922	RRSCOKMUWQMSJS-SJQPAMGKSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375730	XWQQCPZZIUJVGG-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCC[C@H]1CO	2300362693	FMUPJTKIBWZSGR-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300370782	NHKOXMPWOVYUJL-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)CO2	2300496177	GPXLBEJCZOVWOS-ABCHNEDTSA-N	239.080	-0.467	50	10	BBGE	
CO[C@H]1[C@@H](CF)N(CCC(=O)NN)C[C@H]1OC	2302218455	UYKIVALJCUDGRR-MRTMQBJTSA-N	249.286	-0.950	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@@H]2[C@@H]1CO)C(=O)NN	2303424904	WWTBMIGDOIGTAV-GMOBBJLQSA-N	241.335	-0.295	50	10	BBGE	
CC[C@](C)(Cn1cc(O)n(C)c1=O)C(=O)NN	2303440604	ZHZPFLPROXIAFJ-SNVBAGLBSA-N	242.279	-0.701	50	10	BBGE	
CC[C@@H](N)CN(C)c1cc(B(O)O)c(F)cn1	2303836119	IEOBLXANAFWNCB-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]2CC[C@H]1O2	2310073898	QPBWZZKONZEFNG-ATZCPNFKSA-N	249.075	-0.904	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2CC[C@@H]3C[C@H]23)n1	2312778426	FLEATIZEGULDIP-WEDXCCLWSA-N	249.075	-0.053	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1ccoc1B(O)O	2312857036	JYCKQNDTVUGPRA-JEZHCXPESA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(CCO)CC1	36134043	UZQCFJCSKQGQTR-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
COCCN(C)C(=O)CCCC(=O)NN	58850697	XBBYQAYZOCLTIL-UHFFFAOYSA-N	217.269	-0.749	50	10	BBGE	
C[C@@H](CCC(=O)NN)O[C@@H]1CCOC1	82465494	WWOXYMSPQHNUSY-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CN(CCCC(=O)NN)C1CCOCC1	82467958	BOIHAPWKNRUFTD-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
Cc1cccc(=O)n1CCCC(=O)NN	82471436	RURUKQCHSJGILU-UHFFFAOYSA-N	209.249	-0.073	50	10	BBGE	
C[C@@H](CN)CSC[C@@H](C)C(=O)NN	85320037	CFHFLJQFGGWDQN-NKWVEPMBSA-N	205.327	-0.060	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85542002	BYIPAYNGPTUDOJ-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1ccnc1C#N	87344556	SAQPVSVARVCRNG-NKWVEPMBSA-N	207.237	-0.058	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1N(C)C	125704883	DPXMACCNRGZEJH-ZJUUUORDSA-N	242.367	-0.116	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)[C@H](C)N)o1	157403304	HBZVAYCCGKBOGG-LURJTMIESA-N	211.221	-0.304	50	10	BBGE	
CC(=O)NNC(=O)CCBr	168358842	NPANTRIENAPFCG-UHFFFAOYSA-N	209.043	-0.061	50	10	BBGE	
COC[C@H](C)N(C)Cc1ccccc1B(O)O	199002831	OIGFMAJNKKPBQS-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC1CC(O)C1	211964155	LBKKDCVFEVFLGP-RTBKNWGFSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)n1cc(C(N)=O)cn1	211965043	IYDVFYZGYISDDL-SSDOTTSWSA-N	225.252	-0.687	50	10	BBGE	
CC(=O)N(N)C(=O)[C@@H](N)Cc1ccc(O)cc1	221266889	JPENGEQOXVXGIW-JTQLQIEISA-N	237.259	-0.489	50	10	BBGE	
CN(C)/C=N/C(C#N)=C(C#N)/N=C/NN	225171100	ZOCWWSPYBHQSIF-ATYMRYJVSA-N	205.225	-0.673	50	10	BBGE	
COc1ccc(O[C@@H]2CCOC2)c(B(O)O)c1	228666446	BQETWBPTGQBIGV-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
CNC(=O)CCN(C)C(=O)CBr	234360090	ZDTJDGSCWGHJGL-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
O=C(O)Cc1cc(Cl)ncc1B(O)O	238634001	WIQBQCCYJJDYCQ-UHFFFAOYSA-N	215.401	-0.958	50	10	BBGE	
CS(=O)(=O)CCC(=O)NCCCl	243296154	LGCJUJWTTYBUMF-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
C[Si](C)(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	306450005	BKVGDLRCZNMWCW-XAMCCFCMSA-N	222.313	-0.723	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C(=O)NN)C(C)C	308187911	LGHWLPYDGNLRPA-VIFPVBQESA-N	230.312	-0.931	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(N(C)C)c1	309147574	JQHQQZOJVUPBJJ-UHFFFAOYSA-N	223.037	-0.781	50	10	BBGE	
COC(=O)CCN=c1[nH]c(CCl)nc(=N)[nH]1	390466373	ANUYBDURQIORNH-UHFFFAOYSA-N	245.670	-0.580	50	10	BBGE	
N#Cc1cc(CCC=O)cc(B(O)O)c1	396098242	OFNDPEHVCNQMSX-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#CCCc1cc(C#N)cc(B(O)O)c1	396110976	QEOITAQBCDQTSQ-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1/C=C/C(=O)O	396132862	MKWYFVHPQYRCDS-VOTSOKGWSA-N	248.043	-0.404	50	10	BBGE	
N#CCc1cc(CCC(=O)O)cc(B(O)O)c1	396137188	KNZLPFNNYAKDRE-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1ccc2sc(CO)cc2c1B(O)O	396222511	NNLXHXXPQJCGDI-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1O	399925759	QXSMKGSYQPCKJF-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1O	399953576	YSIVERVKSYCRDN-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnc[nH]1	405006487	MVVOEDMYNLGDSU-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)NC1CC1	405145846	MUXFQXQAWQCSGF-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(C)CC1(F)F	689638660	QJIOXQONLNZAQA-SSDOTTSWSA-N	207.224	-0.047	50	10	BBGE	
COCC(COC)n1nc(C)c(B(O)O)c1C	694270667	QBWIFRMOXMTICD-UHFFFAOYSA-N	242.084	-0.986	50	10	BBGE	
CN(C)CC[C@@H]1CCCN1CC(=O)NN	701449298	LVGZBVWXRPEALU-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
Cn1ccc(CCN2[C@H]3CC[C@H]2C(=O)OC3=O)n1	703440339	WSJWQZBGFWINGO-UWVGGRQHSA-N	249.270	-0.121	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CCOC[C@@H]1O	706782204	DEKKJVMKQBGRPR-BGZDPUMWSA-N	241.243	-0.947	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COCC[C@@H]1Cl	710853761	ATSGDNKHIVRNGE-NKWVEPMBSA-N	231.687	-0.304	50	10	BBGE	
O=C(NCB(O)O)C1C[C@@H]2CC[C@H](C1)S2	716083896	UVWIUXCXFOEJPZ-IEESLHIDSA-N	229.110	-0.211	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CCNC[C@H]32)CC1	721051383	VSTVSQQRWJUGPF-HBNTYKKESA-N	249.314	-0.281	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H](O)C1CCC1	823624676	DORUWDHQYXHXIO-QMMMGPOBSA-N	243.332	-0.171	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cn(C)c(O)n1	910145822	WJYYKVFCVHKELJ-LURJTMIESA-N	228.252	-0.917	50	10	BBGE	
CNc1cnc(C(=O)NNC(=O)N(C)C)cn1	1331334035	MTZNQAWSIVPJBW-UHFFFAOYSA-N	238.251	-0.566	50	10	BBGE	
CC[C@@]1(C(=O)NNc2nc[nH]n2)CCNC1=O	1457835280	INWAUOGGQHZOJP-SECBINFHSA-N	238.251	-0.836	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(OC)ncn1	1542341951	BNRQLMDPZQZKIM-UHFFFAOYSA-N	239.235	-0.551	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1ncccn1	1564995873	JGDGMYWIFDPZBG-SSDOTTSWSA-N	233.231	-0.558	50	10	BBGE	
CCNC(=O)NNC(=O)CC1(O)CCC1	1597671962	LJOSNDHUXTYVPX-UHFFFAOYSA-N	215.253	-0.358	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ncccc1F	1627215763	ZLHMUPRGDSOKGR-UHFFFAOYSA-N	237.198	-0.650	50	10	BBGE	
OCC1(O)CN(C[C@H]2C[C@@H]2Br)C1	1881371206	RKYBRYBZVLQPMS-RQJHMYQMSA-N	236.109	-0.191	50	10	BBGE	
O=S1(=O)CC2(CN1)CN(CCCl)C2	1881918814	QTQITBYSNYXTHK-UHFFFAOYSA-N	224.713	-0.540	50	10	BBGE	
COC[C@H](NC[C@H]1C[C@H]1Cl)C(N)=O	1883563694	MYICXSWDZFAVBR-QYNIQEEDSA-N	206.673	-0.296	50	10	BBGE	
CNNC(=O)Cc1csc(NC=O)n1	1885424897	IKQPZXYBIDHADW-UHFFFAOYSA-N	214.250	-0.496	50	10	BBGE	
CN(C)C1CC(OCCC(=O)NN)C1	1886160110	UOCJLKIOQVGTCX-UHFFFAOYSA-N	201.270	-0.524	50	10	BBGE	
CCNC(=O)[C@H]1CNCCN1C(=O)F	1887174290	YFKWFFKOBROUCW-ZCFIWIBFSA-N	203.217	-0.514	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)F)CC[C@H]12	1887186822	SJZUHXRERKGAFA-CRCLSJGQSA-N	200.169	-0.330	50	10	BBGE	
C[C@@H](CC(=O)NN)OC1CCOCC1	1888055575	WONSIBNJGNFFMV-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](OC[C@H]1CSCCO1)C(=O)NN	1891537188	HSDXCCYBJOCQJT-BQBZGAKWSA-N	220.294	-0.487	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(OCCO)C1	1893470166	QCSJDNHNPVMGSV-HTQZYQBOSA-N	219.668	-0.167	50	10	BBGE	
C=C(CO[C@@H]1CCOC[C@H]1F)B(O)O	1895168933	FYJKBCCXOBCMON-HTQZYQBOSA-N	204.006	-0.302	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H](F)[C@H](F)C1	1895684564	UXZFSZYRAGVBNC-PHDIDXHHSA-N	243.204	-0.007	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1CCCC(=O)NN	1896026080	HUROKWDLPQQEPD-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)CCCl)C[C@H]12	1900558195	KFWLXSKWHSCYRR-WDSKDSINSA-N	216.668	-0.195	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@H]1CN)S(=O)(=O)C1CC1	1901343564	XZXMLQSVTDUDDQ-HTRCEHHLSA-N	247.320	-0.964	50	10	BBGE	
CC[C@@H](N)CC(=O)NN(C)S(=O)(=O)C1CC1	1901349298	XMGAZAGITAQNEO-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)c1nc[nH]n1	1901358937	VXPUVEBZPBCECU-UHFFFAOYSA-N	247.280	-0.881	50	10	BBGE	
CN(NC(=O)CC1CC(CN)C1)S(C)(=O)=O	1901377041	JIGFJHDVGVSPJG-UHFFFAOYSA-N	249.336	-0.716	50	10	BBGE	
CC[C@@]1(C(=O)NN(C)S(C)(=O)=O)CCCN1	1901377345	NDZUEMCBKGTIJF-VIFPVBQESA-N	249.336	-0.559	50	10	BBGE	
O=S1(=O)C[C@H]2CCC[C@]2(CB(O)O)C1	1901540713	ZBTODNXFGXEBKG-SFYZADRCSA-N	218.083	-0.326	50	10	BBGE	
COc1ccc(CO)cc1OCC(=O)NN	1903497603	ISXRVQAKEWOKRT-UHFFFAOYSA-N	226.232	-0.444	50	10	BBGE	
O=C(O)[C@]1(NC2CC(Cl)C2)CNCCOC1	1904194722	POOLPGCTNKSPFG-KTOWXAHTSA-N	248.710	-0.211	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCCS(C)(=O)=O)C1	1928756239	SESXFMGOLLNPAZ-JGVFFNPUSA-N	240.756	-0.458	50	10	BBGE	
COC[C@H](CC(=O)O)NC(=O)NN(C)C	1929884662	NOEFWGIWQIKZAS-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
O=C(NCB(O)O)C1C[C@H]2CC[C@H](C1)C2	1930704737	FNCOHSZEESYDHQ-YUMQZZPRSA-N	211.070	-0.059	50	10	BBGE	
CO[C@@H]1CNC[C@@H](C(=O)NN(C)C)C1	1934668637	JSXKXIDNXDHOAG-YUMQZZPRSA-N	201.270	-0.796	50	10	BBGE	
Cn1c(=O)n(C)n(CCCCCl)c1=O	1934714889	OYCDSHBFFXVMAS-UHFFFAOYSA-N	219.672	-0.096	50	10	BBGE	
CC[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1O	1935926328	PMMVUDWGJCNZRP-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@H]1C[C@H]1C(=O)NN	1936095613	YYIGASKABLIEBM-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H](CS(C)(=O)=O)N1CC(=O)OC(=O)C1	1937023894	YBISUXSUSVUTAG-ZETCQYMHSA-N	249.288	-0.805	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941074089	OZAVPDRTMOXFOA-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1941081687	CDRCKSVGJYOZLJ-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
C#CCCN(CCOC)CC(=O)NNC(C)=O	1941730594	TWVSUNHFZXHYRA-UHFFFAOYSA-N	241.291	-0.875	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)CCOCC(=O)NN	1944297436	FQAFURGDOFCAMA-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](CO)[C@H]2C1	1944548678	QGTBEUBNBGEXNW-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOCC12CCCC2	1944685889	ROHCCBBKEGBERI-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1cnnn1C	1950439124	NLSQFQMLLZNLRY-VIFPVBQESA-N	240.311	-0.595	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CC[C@@H](O)CC1	1955472147	CNLLSGMOQVAQQJ-OCAPTIKFSA-N	201.270	-0.788	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CCCl)CC[C@H]12	1956252646	SBJHBOQNWIQCRR-NKWVEPMBSA-N	216.668	-0.180	50	10	BBGE	
CC1(C(=O)NNC(N)=S)CCOCC1	1957139988	GSDLHJLQRXAKLZ-UHFFFAOYSA-N	217.294	-0.333	50	10	BBGE	
COC1(CN(C)C[C@H](C)C(=O)NN)CC1	1960731641	UGQPTWYZCLRIDE-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	1961815209	LBFNSIGNJOWCRH-LOLPMWEVSA-N	209.293	-0.047	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1976931300	ICWIQKNOAVKMKM-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)CC1(C)C)C(=O)NN	1980722856	NSMZRKQKFLAURF-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
COCCN([C@@H]1CCSC1)[C@H](C)C(=O)NN	1980767771	IRODJLHYUDWYDH-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCC(=O)NN)CCN1C	1980815522	BVGACVWNYGJHPL-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]1CF	1981422507	POVZOPXQWKLUCP-MRVPVSSYSA-N	224.044	-0.300	50	10	BBGE	
COCCN(c1nc(B(O)O)cs1)C(C)C	1981472363	PUNBMAKXVFBRCB-UHFFFAOYSA-N	244.125	-0.316	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1982259888	DZBCSYMAGPWJLK-JXUBOQSCSA-N	227.308	-0.421	50	10	BBGE	
CCN(CCF)c1cc(C)c(B(O)O)cn1	1986591684	KORVDXWPKHHQCG-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1csnn1	1991329019	UZZULMCOAKMLPK-ZCFIWIBFSA-N	239.065	-0.631	50	10	BBGE	
Cc1cnn(C)c1C(=O)NCC=CB(O)O	1991331893	QCJFLDZVCQJDBC-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CCCO1	1991337083	LRWKUVVIXKCEBS-IUCAKERBSA-N	225.053	-0.618	50	10	BBGE	
CC1(C)C[C@@H]1CCC(=O)NCC#CB(O)O	1992152280	CIKZQBDFLALFKP-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
C=C(CN1CCN(CCCF)CC1)B(O)O	1992167157	FOJMLVGYXOGGOF-UHFFFAOYSA-N	230.092	-0.468	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@]1(C)C(=O)O	1993402838	XBDZLLVDENGJTP-SECBINFHSA-N	231.252	-0.652	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@@]2(C)C1	1995644296	CLQUZGMLHZEEGA-KOLCDFICSA-N	225.292	-0.114	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](OCCO)C1	2001032263	VTMTVLUKKMZOKI-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(n2cnnc2)C1	2003860457	PARWULYIASXXIA-JGVFFNPUSA-N	238.295	-0.851	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2[C@@H](C)C(=O)NN)o1	2004409098	FQHASHUIUUVMDK-XPUUQOCRSA-N	239.279	-0.107	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)C[C@@H]1F	2004912536	UUHORIOLJGGCMG-WPRPVWTQSA-N	238.071	-0.054	50	10	BBGE	
C[C@@H]1C[C@H](N(C)c2ncccc2B(O)O)CO1	2004934303	DLRNMHFTLLVZFC-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CC[C@@H]1CCN(c2ncc(B(O)O)c(C)n2)C1	2004974293	IICOTLZVKUVHSW-SECBINFHSA-N	235.096	-0.299	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2004976670	QBCSFYNOOZMKIF-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H]2CNC[C@@H]2O)CC1	2006008626	CJLNEQCNRDDMBD-MNOVXSKESA-N	235.287	-0.361	50	10	BBGE	
C[C@H](CCC(=O)NN)OCCN1CCOCC1	2007037971	ZOLQKIXUQXCCOU-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CCO)O[C@H](C)C1	2009334131	FCUMKNRBDIEZKW-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(C1)CC(C)(O)C2	2011901066	RYVNDULTDWTLLR-IUCAKERBSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CC[C@H]2C1	2014770112	RDSUXVZAZXJNBT-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2COCC[C@@H]21	2019209773	KRLPYFGEDWRSJQ-UWVGGRQHSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2OCC[C@H]2C1	2019220114	UXBSQFKYHDCILK-UWVGGRQHSA-N	241.291	-0.736	50	10	BBGE	
C[C@H]1O[C@@]2(Cn3cc(B(O)O)cn3)CC[C@H]1C2	2021504099	HFASMLYTERYKPW-YWVKMMECSA-N	236.080	-0.480	50	10	BBGE	
CCC[C@@H]1C[C@@H]1COc1ncc(B(O)O)cn1	2022580240	UFVGXDZVGGADPA-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H](N2CCCC2)C1	2024852251	HHKNURDRVPQTFN-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)ncc1B(O)O	2052554941	BXXFURZMXFVLHF-NRPADANISA-N	249.123	-0.054	50	10	BBGE	
CCOc1cc(OC)cc(F)c1B(O)O	2060111670	VMHLMNQHMHNLNS-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
O=C(Cc1cccnc1)N[C@H]1CCC=C1B(O)O	2076082488	UQIQZKRCIAQCLB-NSHDSACASA-N	246.075	-0.159	50	10	BBGE	
C=C(CN(C)Cc1cnc2cccnn12)B(O)O	2077484800	CFLPCBMLQBUSJG-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccccc1B(O)O	2079008392	IYUWJZMQOKWSHQ-ZYHUDNBSSA-N	245.087	-0.105	50	10	BBGE	
O=C1CN(C[C@H]2CO[C@H]3C[C@@H]2C3)CC(=O)O1	2210728000	YQIRZVXEWYNOAY-XHNCKOQMSA-N	225.244	-0.203	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838397	HBVPQCZTSSRKBN-ZJUUUORDSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)CCO1	2211838664	JWPMRQCADANEOD-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccnc(N2CC=C[C@H]2CF)c1	2212603084	MTIZPQOBKWZMGS-VIFPVBQESA-N	222.028	-0.524	50	10	BBGE	
Cc1cnc(O[C@H]2CCOC2)cc1B(O)O	2212606167	POICPNQUZULFNP-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
C[C@]1(Nc2ncccc2B(O)O)CCOC1	2212615197	LFUMTHOSHPWXFX-JTQLQIEISA-N	222.053	-0.648	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213889030	ISTOQJFZWNRYFP-CIUDSAMLSA-N	247.314	-0.204	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC1(O)CCC1	2215777142	QVCBTKLWEDMLDB-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)CC1(C(=O)NN)CCC1	2216534766	REHPCJCGCLYXOI-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Oc1ncccc1B(O)O	2217168040	WFENPUIZCYKZTQ-IUCAKERBSA-N	236.080	-0.734	50	10	BBGE	
CN(CC(C)(C)CO)c1ncccc1B(O)O	2217177660	LTJPGSRFHBFEAI-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
CC[C@H](COC)Nc1cc(B(O)O)c(C)cn1	2217180378	HARFXOKKGWPILC-SECBINFHSA-N	238.096	-0.093	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN(C)C2)cc1B(O)O	2217183488	LSNHOQXJHKYJPS-SECBINFHSA-N	235.096	-0.814	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23COC[C@H]2C3)c1F	2217184508	PITJVGKIQBVZPX-LDWIPMOCSA-N	238.027	-0.899	50	10	BBGE	
OB(O)c1ccnc(NC2CCC(O)CC2)c1	2217200952	WDFJRFPFBTXBEL-UHFFFAOYSA-N	236.080	-0.523	50	10	BBGE	
Cc1nnc(CNc2cc(B(O)O)c(C)cn2)o1	2223642122	GDJOGKXRXKTVDW-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CN[C@@H](C2)C1	2223645749	YWHOORPAPBVDIR-LPEHRKFASA-N	248.091	-0.719	50	10	BBGE	
Cc1cnc(N2CCCC[C@@H]2CN)cc1B(O)O	2223648754	PJXJUDSOCSPGNJ-SNVBAGLBSA-N	249.123	-0.613	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H](N)CC2)cc1B(O)O	2223652329	IHNYFIOCWPFEAQ-AOOOYVTPSA-N	249.123	-0.248	50	10	BBGE	
OB(O)c1cccnc1NCCCc1ncc[nH]1	2223653512	SFCHQPRWUQBGKF-UHFFFAOYSA-N	246.079	-0.471	50	10	BBGE	
CC(C)C[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223669835	PBLGJHMRSKSMJW-UWVGGRQHSA-N	249.123	-0.328	50	10	BBGE	
O=C(Cc1cnsc1)NNCCO	2241363254	FYWHASHYROLHEA-UHFFFAOYSA-N	201.251	-0.701	50	10	BBGE	
CN1CC2(CN(CCCl)C2)OCC1=O	2242226712	YSUAXYVOISTXSP-UHFFFAOYSA-N	218.684	-0.232	50	10	BBGE	
C=C1CCN(C(=O)c2coc(B(O)O)c2)C1	2243347116	HLYWLHYFPNMUOF-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
O=C(C#CB(O)O)N1CCSCC(F)(F)C1	2243356593	KFCPBYXZYHNESI-UHFFFAOYSA-N	249.047	-0.788	50	10	BBGE	
C=CC[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243356769	MQFLYCRDCGYMDA-JTQLQIEISA-N	221.065	-0.184	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)CC=CCC1	2243357041	QIFQVGOHWGCYRI-NSHDSACASA-N	221.065	-0.136	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]2CC[C@@H]21	2243399064	JRNPZDPCMPVJOX-LPEHRKFASA-N	221.065	-0.303	50	10	BBGE	
COC[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243404239	LERZJUXYOLYVCT-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C=C1CCN(C(=O)c2occc2B(O)O)C1	2243410235	XRMOVXXGAYYXNL-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@H]1C[C@H]1C)B(O)O	2243412358	LJGDKFFAWZWFDJ-VDAHYXPESA-N	247.125	-0.482	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2243413163	AJSAESLUCAQGJP-SFVIPPHHSA-N	227.069	-0.777	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NCC(F)F	2243420599	VZSWFNVBDHNOPR-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCOC1	2243426807	MDNSYGKVWPTRMH-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C=C(CS(=O)(=O)NCCC(C)(C)C)B(O)O	2243434029	TYQQVJGFUWWBEU-UHFFFAOYSA-N	249.141	-0.090	50	10	BBGE	
O=C(O)[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2243753254	RLNPTHINVZKLNP-ZCFIWIBFSA-N	227.025	-0.931	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913570	UGWKQQIQCZFEGC-JGVFFNPUSA-N	242.471	-0.386	50	10	BBGE	
C#CCNC(=O)c1c(F)cc(B(O)O)cc1F	2247752829	WPWNZVULUABEPQ-UHFFFAOYSA-N	238.986	-0.992	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1occc1B(O)O	2247753277	DXDAMVVKWNTLMN-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
O=C(NCC1CCC(O)CC1)C1(B(O)O)CC1	2247754210	LDDBOEQRFHILBE-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
COCCCN(C)C(=O)c1occc1B(O)O	2247754544	MQTXSOVDVWWPAM-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ccnn1C	2247756914	OYAZKIXKUMSLGC-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785225	HUIQVKYAYKKCGB-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCC[C@H]1CO	2247786519	BVPUORNXOXHSBC-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCN1	2247791274	MMFBXHWHSWBPPA-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
COc1ncccc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247804710	HYMMBBFAVATIIU-RQJHMYQMSA-N	236.036	-0.108	50	10	BBGE	
Cc1nccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247805922	LFGNVVIIXWGNGU-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
CN(Cc1cn(C)cn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247809616	QEIWQAJWABRLFH-BDAKNGLRSA-N	237.068	-0.759	50	10	BBGE	
CC1(NC(=O)c2cc(F)ccc2B(O)O)CC1	2247867576	IKZREVZXXPEWKK-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
O=C(N1C[C@H]2CC[C@H]1CN2)C1(B(O)O)CCC1	2247879761	XLFSSCAATVRIDZ-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
C#CCOCCCNC(=O)C1CC(B(O)O)C1	2247892608	DGONLAGFXKZSFY-UHFFFAOYSA-N	239.080	-0.605	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@@H](B(O)O)C1	2247894230	DPWSSHRPVCZNQJ-AEJSXWLSSA-N	241.096	-0.075	50	10	BBGE	
O=C(O)[C@@H]1C=CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586804	HHWVXRHTFMQMEM-CSMHCCOUSA-N	239.036	-0.909	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1cc(B(O)O)co1	2249410491	YUPKXTYIHQDUAT-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CO[C@H]2C3)c1	2249621143	KFDAATNADZUOIA-QNSHHTMESA-N	234.064	-0.649	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)sc2B(O)O)CC1	2249987685	BISCUAPLLDKBQK-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@H]2C1	2255464222	TUNJVWXQEBTGQC-DTORHVGOSA-N	248.091	-0.433	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc([N+](=O)[O-])cc1	2255469375	OGYAPYKTCPLQLD-UHFFFAOYSA-N	248.003	-0.774	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1	2255511734	OCPIBSAFWSOCSF-SECBINFHSA-N	249.050	-0.189	50	10	BBGE	
C[C@@H](NC(=O)c1ncncc1B(O)O)C1CCC1	2255520108	GTXFPTJRWUAESY-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CCC[C@H]21	2255671412	QROCASUSBNVQGE-RKDXNWHRSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC=CCC1	2255718494	AFHLVHDWJKIQCJ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#CCCNC(=O)c1cc(C)cc(B(O)O)c1F	2255790313	WCSFDYMJDNCDEL-UHFFFAOYSA-N	249.050	-0.433	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1cocc1B(O)O	2258128097	NUUQAMXEEFGWDX-XIYPMJKBSA-N	247.059	-0.656	50	10	BBGE	
C=CC1CN(C(=O)c2ncc(C)cc2B(O)O)C1	2261384043	ZNNVEUPIPSJRKG-UHFFFAOYSA-N	246.075	-0.672	50	10	BBGE	
C=C[C@@]1(O)CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2298165122	DZCJVOZOFYOGMM-CKYFFXLPSA-N	239.319	-0.375	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)[C@H]1C[C@H]1B(O)O	2298368537	KNWUYUISHVVZPF-SRQGCSHVSA-N	239.080	-0.752	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298370161	QCRFWLDWSBEXCI-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371150	BBAJJYOCYYBAAL-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1N(C)C	2298371530	NNBGUNSNSRKZGK-SGIHWFKDSA-N	240.112	-0.742	50	10	BBGE	
C#CCCCOCc1c(C(=O)NN)cnn1C	2300779381	KZUNNBXEMDODBI-UHFFFAOYSA-N	236.275	-0.046	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@@](C)(B(O)O)C2)CO1	2303110073	XERNSVIPMDBEKH-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](N)CN(C)c1cc(B(O)O)c(F)cn1	2303836120	IEOBLXANAFWNCB-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1ncccc1B(O)O	2312612173	FSEWSYXRBKUNFJ-OINDSLJFSA-N	248.091	-0.734	50	10	BBGE	
O=C(NCC#CB(O)O)OCCc1ccccc1	2315726137	VBHBCGSBFZGFHG-UHFFFAOYSA-N	247.059	-0.029	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317161606	DWUADWBRCPTPBB-NEPJUHHUSA-N	246.075	-0.173	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCCCCO	2317203494	YNFGZXIFPZHBCU-UHFFFAOYSA-N	249.075	-0.221	50	10	BBGE	
C[C@H]1COCCN1c1ccc(C=O)c(B(O)O)c1	2317311809	VUNAXXRAQFASCA-VIFPVBQESA-N	249.075	-0.596	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCC#N)CCC#N	58837459	SCYIIDOSIDMYBR-SECBINFHSA-N	223.280	-0.116	50	10	BBGE	
NNC(=O)CCCCN1C(=O)CCC1=O	82468536	QKXIISCBOBQNHE-UHFFFAOYSA-N	213.237	-0.704	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](O)C2)o1	82468685	HWMXFTSZEWJJFR-SSDOTTSWSA-N	225.248	-0.550	50	10	BBGE	
CN1C[C@H](NC(=O)NC(=O)CCl)CCC1=O	82757266	DVBHQZGWIVVPPK-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1CC(O)C1	84453496	MUHLKHZPXCIPNO-HACHORDNSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCCC[C@@H]2C1	94444422	MZKGFFHHVAJUGA-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCCCN1CCO[C@H](CO)C1	122367798	QLJHDHGMXJUYEE-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
COCCCOc1cc(F)cc(B(O)O)c1	211823464	GKTVILUNQXLVIO-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)CCO1	216469636	AGQWJZLKRPUHMQ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)[C@@H]1CO	227214501	HCVDIGUKBFVVPR-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
O=C[C@H](O)CNC(=O)CBr	238707770	VFWRYZPUWAJQRD-SCSAIBSYSA-N	210.027	-0.943	50	10	BBGE	
CN1CCC(C[C@H](N)C(=O)NN)CC1	259051647	VFMBDYSLYXCHNF-QMMMGPOBSA-N	200.286	-0.965	50	10	BBGE	
CNS(=O)(=O)NNC(=O)OC(C)(C)C	306776277	YKIFOWBWEZBFDC-UHFFFAOYSA-N	225.270	-0.520	50	10	BBGE	
COC[C@@H](Oc1cncc(F)c1)C(=O)NN	308102490	HTHYYSYPQMYHMA-MRVPVSSYSA-N	229.211	-0.396	50	10	BBGE	
N#Cc1cccn(CCCC(=O)NN)c1=O	309271240	GGMSVJBMTVZBLG-UHFFFAOYSA-N	220.232	-0.510	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](CO)CC1	378815802	BSKXQDVQQNECJF-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
O=C(CBr)NCCn1ncnn1	379821749	SVHRVJKFBHOYGJ-UHFFFAOYSA-N	234.057	-0.816	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(CN(C)C)C1	382340313	JZSJLRKKKXQXEY-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CCOCCCN(C)C[C@H](C)C(=O)NN	382848971	IQJXLUOSHMXVBU-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
CC1(O)CN(Cc2ncccc2C(=O)NN)C1	384038702	IXWWQSOJCSZFQU-UHFFFAOYSA-N	236.275	-0.748	50	10	BBGE	
NNC(=O)c1cccc(CN2CC(O)C2)c1	384187174	YBZBKOJGHNNYDE-UHFFFAOYSA-N	221.260	-0.533	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1occc1C(=O)NN	385015489	RVGYWBHRGLHBPZ-SFYZADRCSA-N	239.275	-0.162	50	10	BBGE	
CC(CC(C)=NNC(N)=O)=NNC(N)=O	394533003	PVPQRTKUGMCJCT-UHFFFAOYSA-N	214.229	-0.535	50	10	BBGE	
Nc1ccc2c(B(O)O)csc2c1CO	396254595	UBCQKXALRFFTAK-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1cc2sc(B(O)O)cc2cc1CO	396330911	CVSJIMYQMJVQJI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1COC(C)(C)C1	396546803	NFGQYGUGGOADGX-ZCFIWIBFSA-N	215.253	-0.998	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398756661	UARTWEULIPAIPF-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC[C@@H]1CN(CCCCC(=O)NN)C[C@@H]1O	399866608	AHTAKZPPTYSUPN-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CC[C@@H](N2CC(=O)OC(=O)C2)CO1	401401917	NTVMELGDLXOMSH-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
CC(C)C(=O)Nc1cc(B(O)O)ccn1	404981268	JDPBUADIDWPZRI-UHFFFAOYSA-N	208.026	-0.644	50	10	BBGE	
CCOCC(=O)NCc1ccc(B(O)O)s1	405064554	SWWQWOVTKPYZTK-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1CCCC1	405155692	WFSXSUFEEOGRBH-UHFFFAOYSA-N	235.052	-0.611	50	10	BBGE	
CCN(CC)CC(=O)N1CC[C@H](B(O)O)C1	585069465	MTCAIJSIXHBPQH-VIFPVBQESA-N	228.101	-0.597	50	10	BBGE	
COC1CCC(n2cc(B(O)O)cn2)CC1	686381966	XHTOHOMZXFIMMB-UHFFFAOYSA-N	224.069	-0.307	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NNC(N)=O	686472813	UCIWAOITWPSFFA-SRQIZXRXSA-N	201.226	-0.501	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](C(F)F)CC1	686836895	NVDKJOWDIYCGDO-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCCO)C(C)(C)C	689904742	RFDDWLFMOYHBRP-VIFPVBQESA-N	247.339	-0.526	50	10	BBGE	
CC[C@H](C)OCn1nc(C)c(B(O)O)c1C	694274802	DLOVKBZWYDMOLN-ZETCQYMHSA-N	226.085	-0.048	50	10	BBGE	
CCN(CC(N)=O)[C@H](CC(C)C)C(=O)NN	695098670	IWXYGNLCMSWHHF-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
CCOC(=O)/C(C#N)=C\c1nnn(C)n1	696773971	GELQSRWBIVWJAH-XQRVVYSFSA-N	207.193	-0.320	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)C[C@@H]1CO	698218300	YXFLPBRMHFQGKM-SFYZADRCSA-N	221.684	-0.041	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(C(N)=O)cc1	700847686	HWQBSHZITWJBKY-UHFFFAOYSA-N	222.204	-0.901	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1ccnc(B(O)O)c1	704175045	OXPBNRWLDQZMSI-ZETCQYMHSA-N	237.068	-0.319	50	10	BBGE	
Cc1c([C@@H]2C(=O)NC(=O)[C@@H]2Cl)nnn1C	706078437	HRNMKNJJVNUMBL-RFZPGFLSSA-N	228.639	-0.529	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1COCC[C@@H]1O	710926286	YCCJDTJQUDYJKN-BGZDPUMWSA-N	241.243	-0.947	50	10	BBGE	
CNC(=O)N1CCc2cc(B(O)O)ccc21	712146124	JLXUVEZOUBRRPP-UHFFFAOYSA-N	220.037	-0.932	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@@H](C1=O)C2(F)F)C(=O)NN	715553067	XBDUAGPHJVVIIY-RITPCOANSA-N	247.245	-0.274	50	10	BBGE	
CN(C)CC#CCNC(=O)NC(=O)CCl	717891114	JMNBAODAYQALIM-UHFFFAOYSA-N	231.683	-0.384	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)Nc2ccccc2B(O)O)C1	718556015	BGDOKPJCTSIMIR-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1[CH]SC=C1	725571277	IWLHWLYJRDXYSP-YFKPBYRVSA-N	201.227	-0.835	50	10	BBGE	
C[N+]1=CC(CN[S@+]([O])(=O)CCl)=NC1	725678751	IWKWIKHQTWWHHZ-ZDUSSCGKSA-N	224.693	-0.343	50	10	BBGE	
O=C(CCn1cccc1)NNC(=O)c1cnn[nH]1	746222678	AMZOHNHIZCORMC-UHFFFAOYSA-N	248.246	-0.543	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCO2)CCCO1	755171271	ZWUZYICFKGSGQK-KWQFWETISA-N	242.275	-0.118	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(O)(C#N)CC1	821980211	AAECYOFDJFXMKL-SECBINFHSA-N	240.307	-0.649	50	10	BBGE	
Cc1nc(N2CC[C@H](B(O)O)C2)cc2nncn12	900964015	BTGVADAFVAXONC-QMMMGPOBSA-N	247.067	-0.514	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@H]1COCCO1	1136333682	LUDOAZWNMCVCJA-PCYYEKQGSA-N	240.259	-0.038	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2ncon2)n1C	1179588504	LJTLIXPVIHGGJJ-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CC(=O)NNC(=O)[C@]1(C)CCC(=O)NC1	1321643869	XGGNYCYVNQNJQN-SECBINFHSA-N	213.237	-0.930	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1ccc[nH]1	1463739589	XXXCFGXKOWOIIB-HWKANZROSA-N	223.232	-0.022	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O	1464486117	QGJCRVJOBFGVCE-ZETCQYMHSA-N	244.295	-0.516	50	10	BBGE	
Cc1c(C(=O)NNC(=O)c2ncon2)ccn1C	1538721342	YHHKZYZZLALGMH-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)Cc1cc[nH]n1	1543223507	QEKGOQZNQROXIP-KZUAUGPASA-N	238.247	-0.963	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNc1cccnn1	1597260478	NCLQANOSQFNNCD-WAYWQWQTSA-N	235.247	-0.436	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1ccc(C#N)cn1	1634216249	HTPOFSNGXOKDLY-MRVPVSSYSA-N	218.216	-0.057	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)[C@H]1CCC(=O)N1	1641312102	AJEKKPFXZFOLKW-MPJRPATESA-N	237.259	-0.455	50	10	BBGE	
COCCN[C@@H]1CS(=O)(=O)C[C@H]1Cl	1882021627	JDCUEPHTCHXXNE-RNFRBKRXSA-N	227.713	-0.373	50	10	BBGE	
NNC(=O)NCC(F)(F)[C@H]1CCOC1	1886583744	HJHYUSLSCPALAZ-YFKPBYRVSA-N	209.196	-0.169	50	10	BBGE	
O=C(F)N1CCN[C@H]2CS(=O)(=O)C[C@@H]21	1887185614	AMUHVYFWFRLYGM-WDSKDSINSA-N	222.241	-0.853	50	10	BBGE	
COC(=O)c1cc(C=O)c(C)c(B(O)O)c1	1887507667	AJDZHCDTKRLVRE-UHFFFAOYSA-N	222.005	-0.726	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@@H]1C[C@@H](O)CN1	1893127257	GTDXZGKDQKHULZ-NGJRWZKOSA-N	218.684	-0.547	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)C(=O)C(=O)NN	1893673508	OLKYDUSHWSTIEY-OLQVQODUSA-N	203.217	-0.817	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1nc(B(O)O)cs1	1895126181	PHMDBAMNEVZDMS-RNFRBKRXSA-N	243.093	-0.373	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	1897135769	CZXCUYGDKOUOGP-FTLITQJKSA-N	225.053	-0.762	50	10	BBGE	
CCON(CC)c1cc(B(O)O)c(F)cn1	1903009972	KFDXDKGIIXZGGP-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
COC[C@@H](OCC1=CCCOC1)C(=O)NN	1905025527	JINPECDCQBMIMA-SECBINFHSA-N	230.264	-0.645	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1O[C@H]2CC[C@H]1C2	1905136030	AQJUNQVVSDNWQT-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
CS[C@H]1C[C@@H](Oc2ncc(B(O)O)cn2)C1	1905388073	AJBNLGQJAFQGRV-OCAPTIKFSA-N	240.093	-0.571	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1908365195	RUTDRNDJFBWWQO-AXFHLTTASA-N	243.351	-0.047	50	10	BBGE	
C[C@H](CO)N(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909806033	UJLJTAJTYVTSQJ-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911276166	FWIXOAQKCSBCDS-RCZSTQMZSA-N	239.319	-0.827	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043773	WOYNBBHGMXPBHV-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CC(C(=O)O)=C(C)C(=O)NNCCO	1929834607	DWWCHAHUPMLOJE-UHFFFAOYSA-N	202.210	-0.980	50	10	BBGE	
COC(=O)NS(=O)(=O)NC[C@H](Cl)CF	1930551272	QJDNXPJKWDASEN-SCSAIBSYSA-N	248.663	-0.246	50	10	BBGE	
C#CCN(CCO)C(=O)CBr	1933489194	AFHURHLWQYIOIL-UHFFFAOYSA-N	220.066	-0.165	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(CO)C1	1935358682	MWPHYAYIWFBBQA-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
Cc1cn(C[C@H]2C[C@H]2C(=O)NN)ccc1=O	1936079941	HIZZWGSQTKSOFR-RKDXNWHRSA-N	221.260	-0.217	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)CC(C)(C)O	1936094264	LPWGFCDIQSSIIN-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
O=C1CN([C@H]2COC[C@@H]2C2CC2)CC(=O)O1	1936119702	DYBGMXNMNSPUAX-BDAKNGLRSA-N	225.244	-0.203	50	10	BBGE	
CO[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@@H]1F	1937153907	LNLLPRUDQCWUHK-DJLDLDEBSA-N	233.287	-0.330	50	10	BBGE	
COC1CC(NC(=O)NN(C)C)(C(=O)O)C1	1938300304	DPIIAQUKNDWSQG-UHFFFAOYSA-N	231.252	-0.606	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]2C1=O	1940089191	ZNYXCPMORTYNHC-FNCVBFRFSA-N	223.276	-0.519	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@H]21	1940525665	SYHNLPBHIVRCKF-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
C[C@@H]1C(=O)N(CCOCC(=O)NN)[C@@H](C)[C@@H]1C	1941772709	NBPQALZZHGVUIU-VGMNWLOBSA-N	243.307	-0.504	50	10	BBGE	
C[C@]1(CO)CCCN(CCOCC(=O)NN)C1	1941773197	UJLQAHOLSLVXPP-NSHDSACASA-N	245.323	-0.913	50	10	BBGE	
COC[C@]1(C)CCN(CCOCC(=O)NN)C1	1941782862	YMABQRDHFSVWIJ-LLVKDONJSA-N	245.323	-0.649	50	10	BBGE	
CC(C)CN(CCC#N)CCOCC(=O)NN	1941784045	KVHFKBZFBXHJMJ-UHFFFAOYSA-N	242.323	-0.135	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)CC[C@@H]1O	1945882788	MYZJXBDIIKPUBB-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@](C)(O)CO	1954506516	NGQCZBFVZHNUCK-XPUUQOCRSA-N	209.673	-0.137	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C[C@H](O)CCl	1954823029	YWMCDVRSOBSPNR-RNFRBKRXSA-N	208.689	-0.348	50	10	BBGE	
CN(C)NC(=O)NCC[C@@H](F)C(=O)O	1955251736	MJOQZQPDTASRKA-RXMQYKEDSA-N	207.205	-0.425	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNCC(C)(C)O1	1955584429	ZMWZVSWXLBSBGV-SSDOTTSWSA-N	201.270	-0.654	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1(C(N)=O)CC1	1958551344	FALSBFPXRKSYAC-BYPYZUCNSA-N	233.655	-0.543	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H]2C[C@H]21	1961509553	TVBDVXDZJJOCFA-RITPCOANSA-N	221.207	-0.915	50	10	BBGE	
CCSC1CN(c2nc(B(O)O)cs2)C1	1961717755	FTAMXZJARGYGIT-UHFFFAOYSA-N	244.150	-0.235	50	10	BBGE	
CCSCC(=O)N1CC[C@H](B(O)O)C1	1964509901	GGDGJHHZYHXQEY-ZETCQYMHSA-N	217.099	-0.185	50	10	BBGE	
CNC(=O)CSCCC(F)(F)C(=O)NN	1975104632	SHDPPFQRARMFAO-UHFFFAOYSA-N	241.263	-0.519	50	10	BBGE	
Cn1nnnc1CNC[C@H]1C[C@H](CCl)CO1	1975559314	GATOOKQPYBFSSY-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1c1ncon1	1976762016	WOMKMHDAFSQQHV-RQJHMYQMSA-N	225.252	-0.415	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H](F)C1	1981408668	CSYYNLSLOQMUGJ-ZETCQYMHSA-N	225.032	-0.905	50	10	BBGE	
CN(C(=O)NN)[C@H]1CO[C@]2(CCCOC2)C1	1984303635	ZCXZCJSDLHLGPS-PSASIEDQSA-N	229.280	-0.160	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1F	1984338828	YIHFCGYMSNQTTH-YIZRAAEISA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(CCN(C)C)C1	1984669558	NBAFDOBSOJAENE-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC(O)C[C@@H]2C1	1986732679	UDDXMUCJSIVGOU-IWSPIJDZSA-N	227.308	-0.542	50	10	BBGE	
CC(C)(CCN1C[C@H]2COC[C@@H]21)C(=O)NN	1987061338	MMAWVXKGBBIJCN-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987555466	BHCWODGWJXMPLL-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1(CCO)CC1	1988601145	HWNHOFGRFRRDGQ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1C[C@@]1(C)Cn1cccc(B(O)O)c1=O	1988992464	BEIZQWFTORQPPX-KWQFWETISA-N	221.065	-0.426	50	10	BBGE	
CCn1nc(C)c(N)c1C(=O)NNC(C)=O	1989353958	HMTIILILBVWEOS-UHFFFAOYSA-N	225.252	-0.425	50	10	BBGE	
N[C@@H]1C[C@@H]2CN(C[C@H]3C[C@H]3Cl)CCN2C1=O	1991456261	QUOAKPCAZKKOTE-ZYUZMQFOSA-N	243.738	-0.143	50	10	BBGE	
Cn1cnc(CN2CCC(O)(C#N)CC2)n1	1991980493	LXJOOBXZEBHEDR-UHFFFAOYSA-N	221.264	-0.334	50	10	BBGE	
C=C(CN1C[C@@H]2CCCN2C[C@H]1C)B(O)O	1992154146	VJDJELQFHJIUEO-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12COC(C)(C1)C2	1993938818	GKUGDUUYJAXWAY-PUSIOWJLSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCN1C(=O)C[C@H]2CC[C@H]1C2	2003143452	BGBBMBIBSRKUPA-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
CC(C)(CN1CC(n2ccnn2)C1)C(=O)NN	2003858100	CTXCTYQIVQBBFS-UHFFFAOYSA-N	238.295	-0.849	50	10	BBGE	
CCN(C)C[C@H]1CCN(C[C@H](C)C(=O)NN)C1	2003904033	BCURIGKXCSQKJW-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1CCCCO1	2004950557	HHVWOTUUGQQUHA-SECBINFHSA-N	237.064	-0.291	50	10	BBGE	
O=C(NCB(O)O)c1cccc(OC(F)F)n1	2010838024	QEYDAYHXBBPQRY-UHFFFAOYSA-N	245.978	-0.575	50	10	BBGE	
CCc1ccnn1C[C@H]1CC[C@@H](C(=O)NN)O1	2012152348	NGAWOVJRCROULB-ZJUUUORDSA-N	238.291	-0.017	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC(CO)C2)C1	2013608201	IKPSGYKYPKSJAV-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
Cc1ncn(C)c1CN(C)CCCC(=O)NN	2014920828	LKBLFXCSVQHFPB-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CCCCO1	2020061862	LOYDRCKBSFCRFY-VHSXEESVSA-N	239.080	-0.228	50	10	BBGE	
Cc1cnc(N2[C@H]3COC[C@H]2C3)c(B(O)O)c1	2021408614	FJJSZDDHDXMXOP-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
CO[C@H]1CCN(CCCC(=O)NN)C[C@H]1OC	2022123788	JNMMYXQWATUCEM-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2C[C@@H]21	2022200557	VLCMEGBCVTXPNY-KWQFWETISA-N	231.060	-0.399	50	10	BBGE	
Cc1cn(Cc2nn(C)cc2C(=O)NN)c(C)n1	2050246274	BJXSVFOJGIHDBP-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@@H]3C[C@H]32)ncc1B(O)O	2052552670	WEWYVEPWYSWSJR-FXPVBKGRSA-N	247.107	-0.300	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(-n2cnc(C)c2C)n1	2052602000	LVRNLNHLZIWKIS-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
CCC1CC(n2cnc3c(B(O)O)ncnc32)C1	2055728825	QHWOGXPLGJFYSV-UHFFFAOYSA-N	246.079	-0.133	50	10	BBGE	
Cc1nccn1CCOc1ccc(B(O)O)cn1	2064612377	XISDAGJTKBACQK-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12CC(CCO1)C2	2208731735	KCOCUUHXZOJCHO-INWMGODYSA-N	239.080	-0.369	50	10	BBGE	
CS[C@@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	2210489805	JUJPSAFMOYETHF-ZETCQYMHSA-N	243.332	-0.137	50	10	BBGE	
COC[C@H](C)N(C)Cc1ccc(B(O)O)s1	2211078311	MFFDOQVOBWLUDV-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
C[C@@]12C[C@H]1CN(Cc1nscc1B(O)O)C2	2211137099	ATGXHCKDVTTZCR-XVKPBYJWSA-N	238.121	-0.335	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H]2O)cc1B(O)O	2212603418	FXPLJQURRQQMAS-IUCAKERBSA-N	222.053	-0.995	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2212603428	FZPNSKGBLQHWTJ-IONNQARKSA-N	222.053	-0.792	50	10	BBGE	
CC12CC(C1)N(c1cc(B(O)O)ccn1)C2	2212615474	PNBTXAPFCVPBHS-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
COC[C@@H](O)CN(C)CC1(C(=O)NN)CCC1	2216496075	YFNUOENRSUAOQN-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCOC[C@@H]2F)c1	2217176668	ZCYGXPCJSVBEMW-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
NC[C@]1(F)C[C@@H](Nc2ncccc2B(O)O)C1	2217178225	SPIDALAGZZRRGZ-WKFQBHICSA-N	239.059	-0.997	50	10	BBGE	
Cc1cnc(OC[C@@H](C)N(C)C)cc1B(O)O	2217181550	RPJIQSVGKUGHEE-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
C[C@H]1NCCC[C@H]1Nc1ccc(B(O)O)cn1	2217181907	WZCJMELDSSSYOZ-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1nccc(B(O)O)c1F	2217182144	ZSEZJKPYIMFYNA-BQBZGAKWSA-N	242.059	-0.264	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cnco1	2217182195	ACRTXDRYLIHLDQ-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
NCCC(F)(F)COc1cc(B(O)O)ccn1	2217193674	OIUJTFVDSAXKFY-UHFFFAOYSA-N	246.022	-0.876	50	10	BBGE	
OCC[C@H](Nc1ccc(B(O)O)cn1)C1CC1	2217195858	AOADOIRUYSZAHL-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
C=CCO[C@H](C)CNc1cc(B(O)O)ccn1	2217204346	IJHPBTIMTKCCIS-SECBINFHSA-N	236.080	-0.236	50	10	BBGE	
Cn1cncc1CNc1cc(B(O)O)ccn1	2217204879	QDKPRCQMFXSRHC-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCC[C@@H]1O	2220071408	HNSPCFXFAJOCNT-OLZOCXBDSA-N	249.119	-0.288	50	10	BBGE	
C[C@H]1CNCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223629698	WNGNOHQZQMVYHP-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Nc1cc(B(O)O)c(C)cn1	2223653964	WLDXDYAAODTOER-QWRGUYRKSA-N	249.123	-0.378	50	10	BBGE	
CCC1(Nc2cc(B(O)O)ccn2)CCNCC1	2223669516	LAXXTWNICASLPB-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
NC[C@H]1CCCCN(c2ccc(B(O)O)cn2)C1	2223671157	IHECMNQAQJPFCO-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
OB(O)c1ccc(NC2CN(CC3CC3)C2)nc1	2223678438	BQQATVOTUMUHMP-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1COC1	2241661906	LNHYZCKXAPDEJD-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
CN(C(=O)NN)[C@H]1COC2(COC2)C1	2241847891	XMYNTQQJGHCPQC-ZCFIWIBFSA-N	201.226	-0.941	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C)C(=O)NN	2242164849	KWLNRYPIUYDZFZ-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
N[C@@H](CN[C@H]1C[C@H](Br)C1)C(=O)O	2242411502	CLVUUIPOTNSSND-ZLUOBGJFSA-N	237.097	-0.086	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CSC[C@@H](C2)C1	2243362900	YCCIRMMALFBOCV-IUCAKERBSA-N	239.105	-0.787	50	10	BBGE	
CCN(CC)CCNC(=O)C1(B(O)O)CC1	2243365712	QKLFMDJFDJBTOU-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1CC1	2243375694	XIGWRTUUSDNEJM-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
CN(C)CCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243380942	ASUJGAGTSLKANZ-DTORHVGOSA-N	228.101	-0.741	50	10	BBGE	
CCC1CN(C(=O)c2sncc2B(O)O)C1	2243385201	DZYPQLMDVQVXKE-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@H](F)C1	2243385620	LXDHDJKBZWBURB-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COC[C@@H]21	2243391098	GJSKHPHNUUVRAR-QKZHKQSRSA-N	225.053	-0.903	50	10	BBGE	
CCNCCCNC(=O)C1CC(B(O)O)C1	2243391324	JGOPLKQWNXVSOF-UHFFFAOYSA-N	228.101	-0.645	50	10	BBGE	
Cc1ccc([C@H](C)NC(=O)C#CB(O)O)o1	2243403931	GHXFJOJXYHIXPH-QMMMGPOBSA-N	221.021	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]1C1CCCC1	2243404140	JUZHLLJMEHPTKX-SNVBAGLBSA-N	221.065	-0.207	50	10	BBGE	
CC[C@H](C)NC(=O)c1c(C)nsc1B(O)O	2243415177	PRTTYPGSBVLQKM-YFKPBYRVSA-N	242.109	-0.340	50	10	BBGE	
C#CCC(=O)NCc1sc(B(O)O)cc1C	2243666903	DAYUQULLPPQJDU-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
C=CC(=O)N[C@H](C)c1cccc(B(O)O)c1	2243684520	AZLVEQURUZUPSQ-MRVPVSSYSA-N	219.049	-0.270	50	10	BBGE	
CN(CC(F)F)C(=O)c1cocc1B(O)O	2244216955	NBYXDHUOTTXHLD-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
C[C@@H](COC(F)F)Oc1ncccc1B(O)O	2246678064	ZZMCCBJZXUIMRY-LURJTMIESA-N	247.006	-0.232	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@H]1C2	2247740926	RQBKGWSRWMSLJS-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
CCC[C@@]1(O)CCCN(C(=O)C#CB(O)O)C1	2247741839	GPAJNDFOOFTVIM-LLVKDONJSA-N	239.080	-0.845	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1F	2247752190	KLACEQNDBHIENN-SFYZADRCSA-N	240.043	-0.972	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=C[C@H]1CF	2247753693	JTDIKLPBKBBBKX-ZETCQYMHSA-N	239.011	-0.691	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783409	FAWGKIREHDJGOL-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785873	ROXYAXPFEUUOFP-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@@H](C1)C2(F)F	2247793000	VZEAKQXKILQCFJ-XUTVFYLZSA-N	245.034	-0.037	50	10	BBGE	
N[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CC12CC2	2247800994	VYOCABIJYWKDAL-AMDVSUOASA-N	238.096	-0.811	50	10	BBGE	
Cc1ncoc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247804551	HLEKPRIOHNXTJG-YUMQZZPRSA-N	238.052	-0.196	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCOC1	2247854204	YQLTYWITTMTECN-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
O=C(NCCCN1CCCC1)C1(B(O)O)CC1	2247854329	BBOQXTIVWSVMPH-UHFFFAOYSA-N	240.112	-0.405	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247867190	AJFVOHRTZFCQRG-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
CC1=C(C)CN(C(=O)c2ccoc2B(O)O)C1	2247869613	VLIDOMMLTIVEEL-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CN1CC2(CCN(C(=O)C3(B(O)O)CC3)C2)C1	2247879192	RDQPDPABSOXDDG-UHFFFAOYSA-N	238.096	-0.843	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247899800	QDHUVXIOEKVXEF-XFWSIPNHSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1N	2247899960	RTJHAPDYLFTZBI-VGMNWLOBSA-N	240.112	-0.565	50	10	BBGE	
Cc1nc(O[C@@H]2C=CCOC2)ccc1B(O)O	2249275709	UXVGHSCXMGTREC-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
CC1CC(N(C)C(=O)c2cc(B(O)O)co2)C1	2249406914	JMWKEYWLTWWLLE-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC2(CC2)C1	2249423930	MFFVZHANFCRMHN-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C#CCN(C(=O)c1ccncc1B(O)O)C(C)C	2255443636	BWLVMPJLNOSFOC-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
N=c1cc(NC(=O)c2occc2B(O)O)cc[nH]1	2255487314	NGRXZMDZRQSMRS-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nc1cc[nH]n1	2255499006	YCGKIFVXCCWZJV-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2cnoc2)c1	2255513092	LBDZAZBPGZRKCX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccc(B(O)O)cn1	2255517588	WGLYSOOKRCLYQS-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
Cc1cccc(CCNC(=O)[C@H]2C[C@H]2B(O)O)n1	2255564357	OSMYHVVIJPMFMV-WDEREUQCSA-N	248.091	-0.088	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255680455	MEBSNGUSOCUIBI-JTQLQIEISA-N	248.091	-0.221	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)NN1CCCC1	2255891646	WKOAWCXYHFWBJB-UHFFFAOYSA-N	249.079	-0.501	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1cocc1B(O)O	2258122856	HYXIHASLFRTYJK-OIAXGBPSSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(N)c(C(=O)NCCC#CB(O)O)c1	2258973604	LVFPPYGZCJKZRF-UHFFFAOYSA-N	246.075	-0.287	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2298004839	LNSZVDXFMRRYQS-SVDPJWKOSA-N	241.335	-0.154	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	2298367863	YVBOIOBHIXHRTP-QHZLYTNSSA-N	233.076	-0.495	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298371023	VTGCLVIKWJSRSM-OEZYJKACSA-N	238.096	-0.955	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	2298374599	CECWLGVDXYASPK-UWKFXHKCSA-N	233.076	-0.447	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2CC[C@@H]3C[C@H]23)c1B(O)O	2309539267	QHYJMSPRQLUERP-UTLUCORTSA-N	247.107	-0.300	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C=C[C@@H]2C3)oc1B(O)O	2312857634	WBMAPZLZCIDTPG-DTWKUNHWSA-N	247.059	-0.332	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CC[C@H]1O	2317151575	SEKQNFQURLKEPM-QPUJVOFHSA-N	246.075	-0.579	50	10	BBGE	
C#CC[C@@H]1CCCN1c1cc(B(O)O)c(F)cn1	2320794539	HZXRVCHVJZXKFP-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
N#Cc1ccccc1-c1nnn(CC(=O)NN)n1	3662033	YHSXXZMSWBTKRR-UHFFFAOYSA-N	243.230	-0.798	50	10	BBGE	
O=C(Cn1cc(CO)nn1)NNc1ccccn1	52222553	QQZIZBDNQRLZLA-UHFFFAOYSA-N	248.246	-0.691	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC(C)(C)C1	82467982	LQJQTAZYMZRBMR-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
O=C1NCCCC[C@H]1NS(=O)(=O)CCl	82512742	ANUPQAOXXDUBGU-ZCFIWIBFSA-N	240.712	-0.229	50	10	BBGE	
CCNc1nc(Cl)nc(NNC(N)=O)n1	196550301	HOJBGOTZNGAPDN-UHFFFAOYSA-N	231.647	-0.048	50	10	BBGE	
CCOC(=O)Nc1ccc(B(O)O)cc1	204739036	HWEZZSRETFYIFT-UHFFFAOYSA-N	209.010	-0.065	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\NCCOC	216798215	YGWRVOGASMUAJT-KTKRTIGZSA-N	241.291	-0.217	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093505	XPKRRCHHRGNMMP-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@]1(O)CCOC1	227128233	GGUOYSXWQPXPAN-XPUUQOCRSA-N	207.657	-0.119	50	10	BBGE	
C[C@H]1CN2CCC[C@H]2CN1CC(=O)NN	251930545	YRUIWDIZLUKDON-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
CN(N)C(=O)Cc1ccc2[nH]c(=O)oc2c1	259081425	ZPUKEEHURUPFHO-UHFFFAOYSA-N	221.216	-0.004	50	10	BBGE	
OB(O)c1c(O)cc(Br)cc1F	306227845	DWEBENPCWOGZOL-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
C[C@H]1C[C@H](N=C=O)CN(S(C)(=O)=O)C1	306773463	IUDZTCHPFLKISI-YUMQZZPRSA-N	218.278	-0.008	50	10	BBGE	
C[C@@H]1OCCN(Cc2ccccc2B(O)O)[C@H]1C	380296088	HFYHXYZMBAEPHY-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
NC(=O)/C=C/N1CCN(CCCl)C1=O	388984555	SPFLAUPLLALICX-HNQUOIGGSA-N	217.656	-0.038	50	10	BBGE	
N#Cc1cc(CO)cc2scc(B(O)O)c12	396211640	AMBSKFVLUWDDDY-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc2sc(CO)c(B(O)O)c2c1	396254633	XDTZLNQCJMHFJT-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1ccc2c(O)c(B(O)O)sc2c1	396391698	ZQCCMUUIEUIHKH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC[S@](C)=O	399917915	OVELFUJCJPPGHP-GLEZIHRCSA-N	235.353	-0.689	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(OC(F)F)C1	399958066	WRZUTZBENPEUPH-ZETCQYMHSA-N	237.250	-0.076	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@@H](C)CC(=O)NN)C1	401559470	XKCZDNPQASKEJS-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCCO)C1CC1	404249472	LLHKXAKWXQRVRV-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CCC(=O)Nc1cc(B(O)O)ccc1OC	405000401	JSRHNHWOOUPUCZ-UHFFFAOYSA-N	223.037	-0.277	50	10	BBGE	
COC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405178780	DSBFRMRNJNJRIB-ZETCQYMHSA-N	223.037	-0.217	50	10	BBGE	
C[C@H](CO)CN(C)Cc1nc(C(=O)NN)co1	688403391	FUVBVCDSSIIOKJ-ZETCQYMHSA-N	242.279	-0.662	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]([C@@H](C)O)C1	688957734	IDLHNICZBDZDRM-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C=C[C@H](C(=O)O)N1CCC(O)(C#N)CC1	692166521	DXYPNEHNBMWOPD-MRVPVSSYSA-N	210.233	-0.024	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1CN(C)C1	692718381	IBGISRQPUJPVHJ-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
Cc1nn(Cc2cnccn2)c(C)c1B(O)O	694226526	DFAODHHADOYGBA-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
CCCn1nc(C(=O)NNC)ccc1=O	704624071	RXFUXTNXVGKCSH-UHFFFAOYSA-N	210.237	-0.483	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ncnn1C	707412014	SMYSKYQOFFIBOY-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCn1cccn1	707434068	DOFUJVYSMDGRGT-VIFPVBQESA-N	225.296	-0.417	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CCC[C@H]1O	708051815	RCCOLFKQEWRPCO-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@@H](C)OC)C(C)C	708298799	UTAJQODUHZSUMZ-ZJUUUORDSA-N	247.339	-0.263	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)Nc1nn[nH]n1	709814818	RWBBAZDIMBVFNM-SCSAIBSYSA-N	239.688	-0.184	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)OCCl)C1	714440559	HIQRBDJXKNZTPQ-UHFFFAOYSA-N	223.612	-0.461	50	10	BBGE	
C[C@H]1Oc2c(cc(F)cc2B(O)O)NC1=O	716784689	QUOMTAVGAAQTED-SCSAIBSYSA-N	224.984	-0.775	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721717363	OZFYMQSPYJEOER-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CNC[C@H](O)C1	722410087	LHWWURPMHZAMIB-JGVFFNPUSA-N	220.700	-0.298	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724816120	LIZCHFYCZHKNNE-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
CCCNC(=S)NNC(=O)[C@H]1COCCO1	745173617	ZETDMSJQDRWECQ-SSDOTTSWSA-N	247.320	-0.693	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)c1cnn[nH]1	751376262	XTLRZZDWUBGPLL-RNFRBKRXSA-N	235.247	-0.388	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@](C)(CO)OC	848267876	VHURBWMXUAUHKP-DHHDDZJSSA-N	242.275	-0.056	50	10	BBGE	
CCCN(C)C(=O)c1ccc(B(O)O)cc1F	1088235711	FLEXJYOHENNTBN-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ccncc1	1587046444	RAYLLIAIHABDSW-VIFPVBQESA-N	247.254	-0.119	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NNc1ccn(C)n1	1611267784	NCDBUPZBICJURC-ZCFIWIBFSA-N	225.252	-0.612	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCN(C)C1=O	1627337549	VTACPKKOVBADSB-QMMMGPOBSA-N	229.280	-0.926	50	10	BBGE	
N#C/C=C\Cn1nc2cnccn2c1=O	1651918055	WIVPZCDRZODLSQ-UPHRSURJSA-N	201.189	-0.029	50	10	BBGE	
O=C(NN1CCNCC1)[C@@H]1C[C@@H]1Br	1883531656	VMPWQAAFXUAOHM-RQJHMYQMSA-N	248.124	-0.294	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@@H](C(F)(F)F)C1	1886612911	FLVLKDUTEAWFBN-QWWZWVQMSA-N	213.159	-0.121	50	10	BBGE	
C[C@@H](C#CC(=O)NN)NC(=O)OC(C)(C)C	1889816708	NEMUBELJCJKUME-ZETCQYMHSA-N	227.264	-0.107	50	10	BBGE	
CC[S@](=O)N1CC[C@](C)(B(O)O)C1	1891518061	WRYLWFZLTKNIOM-CPFSXVBKSA-N	205.088	-0.391	50	10	BBGE	
CC(=O)NCc1sc(Cl)cc1B(O)O	1892533402	VFLQYLBVHHRLDD-UHFFFAOYSA-N	233.485	-0.283	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCOC[C@@H](O)C1	1893453961	RUXILGZWEIMKTN-XLPZGREQSA-N	219.668	-0.167	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893468905	CRVFKXNNRGRYMQ-XUTVFYLZSA-N	219.668	-0.263	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)C=CC(=O)Cl)C[C@@H]1O	1897219448	MZSSRIBSTSIATI-GJMOJQLCSA-N	247.678	-0.038	50	10	BBGE	
C=C(COC1C[C@@H](OC)[C@H](OC)C1)B(O)O	1897284338	SXQPTQPNHXOMFH-NXEZZACHSA-N	230.069	-0.236	50	10	BBGE	
CN(NC(=O)[C@@]12C[C@H]1CCCN2)S(C)(=O)=O	1901339866	UXUDMXXOOIYJCA-VXNVDRBHSA-N	247.320	-0.949	50	10	BBGE	
NNC(=O)[C@@]12CCC[C@H]1CS(=O)(=O)C2	1901538973	HNNXHGADRXCUBN-POYBYMJQSA-N	218.278	-0.809	50	10	BBGE	
CC[C@](C)(CN1CCO[C@H]2C[C@H]21)C(=O)NN	1902715873	LOLOBVHTMGMTEW-WCABBAIRSA-N	227.308	-0.134	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1N1CC(=O)OC(=O)C1	1903097877	YFLKSVMFLJZQEM-BDAKNGLRSA-N	225.244	-0.037	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@H](F)C1	1904998936	HYOYWWQZTZKDCM-CIUDSAMLSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)[C@H]1C1CC1	1908854162	NRCJXPLYDFGKMX-HTQZYQBOSA-N	249.261	-0.543	50	10	BBGE	
COC(=O)[C@@H](N)CC(=O)NC1CC(Cl)C1	1909273142	UBFZDOWGYSCABL-AHXFUIDQSA-N	234.683	-0.237	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(C)(C(N)=O)C1	1914188149	BDIPQYYBZVTEIR-QMMMGPOBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)C12CCC2	1914400061	YVGOWYPTICALTD-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)CN(CCCO)Cc1ccccc1	1914613613	HXNVFMNEVBCXCU-UHFFFAOYSA-N	237.303	-0.139	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1COC1	1915651349	UDKLQCIEYOAXMP-BQBZGAKWSA-N	201.270	-0.669	50	10	BBGE	
C[C@@H]1CCC[C@@H]1CS(=O)(=O)NCB(O)O	1930380024	CMLYLXNZGMQVAR-HTQZYQBOSA-N	235.114	-0.646	50	10	BBGE	
NNC(=O)CCN1CC2(CC2)C[C@H]1CO	1934334269	TVERJIUPYOFVGC-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
COC(=O)[C@@H](C)c1cccc(B(O)O)c1	1935012714	YNOWASGCTBVZAX-ZETCQYMHSA-N	208.022	-0.357	50	10	BBGE	
CC(C)NC(=O)CSC[C@H]1C[C@@H]1C(=O)NN	1936095667	ZPGOKYONFYNPKH-SFYZADRCSA-N	245.348	-0.130	50	10	BBGE	
CC(C)n1nccc1CN(C)CC(=O)NN	1937926839	NJZADTCTPIYRLE-UHFFFAOYSA-N	225.296	-0.114	50	10	BBGE	
CN(C)C1[C@H]2CN(CC(F)(F)C(=O)NN)C[C@H]12	1940894289	TVNHIHFMNYMVMM-BQBZGAKWSA-N	248.277	-0.897	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(n2cccn2)C1	1941085609	MXDIBFMPZLUSDS-WCBMZHEXSA-N	235.291	-0.634	50	10	BBGE	
CN1CC2(CCN(C[C@@H]3C[C@@H]3C(=O)NN)C2)C1	1941090958	SVAREGJZBPKUEL-UWVGGRQHSA-N	238.335	-0.750	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@]12COC[C@H]1C2	1941092159	GVIGKNGJQDZSHO-XNDJQWLSSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCCCO2)O1	1942617754	CERUNANPBUJCPA-UWVGGRQHSA-N	243.307	-0.059	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)[C@H](C)C1	1944325539	VCVVLWDHXLCCTE-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CCC[C@H]2C1	1945658220	JSJMBBPDKSCIEI-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCCC[C@@H]1O	1945883184	VFEOYRRYNBFCEP-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
N#C[C@H](O)[C@@H](N)[C@H](O)Cc1ccccc1	1952903686	GIUXOWHDQGOIIY-VWYCJHECSA-N	206.245	-0.198	50	10	BBGE	
C#CC#CCNS(=O)(=O)CCCl	1953738228	WOAXUEBJFUAMSV-UHFFFAOYSA-N	205.666	-0.219	50	10	BBGE	
N#C[C@@H](Cl)CN1CCO[C@H](CN)C1	1954214261	CNWDHTVPYSBWHN-HTQZYQBOSA-N	203.673	-0.223	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1CCNC1=O	1954822960	XVMJSGBBXBIOQY-RQJHMYQMSA-N	206.673	-0.594	50	10	BBGE	
CCCSc1ncc(B(O)O)c(C)n1	1956966006	OESDRZPTCQGCSF-UHFFFAOYSA-N	212.083	-0.033	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@]12CC2(F)F	1961597039	NIAZJPNGPPATPP-FFWSUHOLSA-N	219.191	-0.862	50	10	BBGE	
CSCC(=O)N1CCC(B(O)O)CC1	1964500647	MQVHYKFNXLNJBO-UHFFFAOYSA-N	217.099	-0.185	50	10	BBGE	
C[C@H](CN1CC(F)(F)C[C@@H]1CO)C(=O)NN	1976198839	XSGBWCRRCXXLTA-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1CC1(C)C	1981408962	HGQRAFCUXQAVPT-JTQLQIEISA-N	220.081	-0.004	50	10	BBGE	
Cc1ccnc(N(C)CC2CC2)c1B(O)O	1981413525	HVWZZDVXVXEDDQ-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
Cc1ccnc(O[C@@H]2CCOC2)c1B(O)O	1981423451	DOPQXJAMGWFDGH-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
C[C@H](COc1ccccc1B(O)O)N(C)C	1983809575	QBIDFNGOZBAUBY-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
C=CC1(O)CN([C@H](C(=O)NN)C(C)(C)C)C1	1990556674	ZSXQVYQEMVHLJH-MRVPVSSYSA-N	227.308	-0.376	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@H]2COC[C@H]21	1991713040	OBSRUQFWYFNZIN-FLPBZWPXSA-N	245.662	-0.066	50	10	BBGE	
CC(=O)CC(=O)Nc1cccc(B(O)O)c1	1991778954	VQMXJZMSEWVXBN-UHFFFAOYSA-N	221.021	-0.716	50	10	BBGE	
COCCOC[C@H]1CCN([C@@H](C)C(=O)NN)C1	1996914460	NTSDEASJHJBZEH-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1[C@@H]2CC[C@@H]12	1997530195	QRIJDUMVCTXEDS-RNFRBKRXSA-N	232.048	-0.644	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]21	1998124770	BGGHLLOXMPZCCB-YWIQKCBGSA-N	241.052	-0.925	50	10	BBGE	
CC(F)(F)C1CN(c2ncncc2B(O)O)C1	2004916647	NWCDPDGFMVRBEX-UHFFFAOYSA-N	243.022	-0.752	50	10	BBGE	
OB(O)c1cccnc1N1CC(OC(F)F)C1	2004935862	QXUMALQRUJZTFC-UHFFFAOYSA-N	244.006	-0.811	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CCN(C)C	2005014713	PIRLEEHNNNDPPD-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@]1(C)CCOC1	2006839164	BTXBPOBJJYXRQT-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
COC(C)(C)CCn1cc(B(O)O)ccc1=O	2008839736	BKHCPYZLILKZPC-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
O=C(Cn1cccn1)N[C@H]1CCC=C1B(O)O	2020057833	VWENPAHMGROPME-VIFPVBQESA-N	235.052	-0.900	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccc(B(O)O)cc1	2022197122	XUAWFDFKAMSFAZ-SCZZXKLOSA-N	237.039	-0.546	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ccnc(B(O)O)c3)C[C@@H]12	2042945197	SRBPRTUJKSFTIW-FDOIEUKUSA-N	246.075	-0.254	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CC[C@H]2NC3)CC1	2045359403	HKSNPGKICPXPIK-HBNTYKKESA-N	249.314	-0.139	50	10	BBGE	
Cc1cc(C)n(Cc2nn(C)cc2C(=O)NN)n1	2050244545	YXDLPEBMLHEURF-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2COCC[C@@H]21	2052467801	VLVBLWJSESZWKZ-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cnc(OCc2ccccc2F)nc1	2052519300	APWHJQJWKUDDRK-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1ncnc(N2CC(CC3CC3)C2)c1B(O)O	2052558131	WWEUKWIHULTQSW-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(C=O)c1B(O)O	2060031988	GQOOOVBHDDQSQY-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCc1cc(C=O)cc(B(O)O)c1C#N	2060237746	SAIFFRGJDJXNSX-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	2079519614	PHSOAKYPXRWGLG-VHSXEESVSA-N	248.091	-0.008	50	10	BBGE	
Cc1ccc(CN(C)C2(C)COC2)cc1B(O)O	2086877277	JLRQGOZNJQMODK-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2212248063	PVCXKMOEPDIEFU-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
NCCNCCSCC1(C(=O)NN)CCC1	2212267905	YVJBMPWOBREFQX-UHFFFAOYSA-N	246.380	-0.572	50	10	BBGE	
COC[C@H](C)Nc1nccc(B(O)O)c1F	2212603655	IDPFCILEWSKZRD-LURJTMIESA-N	228.032	-0.653	50	10	BBGE	
OB(O)c1cccnc1N1N[C@H]2CC[C@H]1C2	2212604978	VPZVHYFCGMUXFC-YUMQZZPRSA-N	219.053	-0.993	50	10	BBGE	
CCC[C@@H](C)Cn1cc(B(O)O)cnc1=O	2212716816	IXQLHIUXKPPCJZ-MRVPVSSYSA-N	224.069	-0.641	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCN(C)C1)C(=O)NN	2214885699	FUBDICMWHULSCW-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H](CCO)C1	2215774834	YHOOEJJLTNYIAG-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2217179210	HYYGYIHFRMHGOW-VMHSAVOQSA-N	240.043	-0.918	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCC[C@H]2O)c1	2217179345	JPOYMBXCKWBLHO-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
CCNC[C@@H](CC)Oc1ccc(B(O)O)cn1	2217182436	AQZGOUFPHCRUJO-SNVBAGLBSA-N	238.096	-0.472	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC=CC2CC2)c1F	2217185047	XSGBRETZCDBXDP-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CC[C@@H](CCCN)Oc1cc(B(O)O)ccn1	2217189783	IYMPGBLCESMYQS-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@@H]1C[C@@H]1C(=O)NN	2217193137	SDSJGRCWVNHSQQ-DCAQKATOSA-N	241.335	-0.031	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1cc(B(O)O)ccn1	2223669301	IINZHRPZKMSKQH-SCVMZPAESA-N	247.107	-0.701	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]1Cl	2241907641	GNEMVCIQRLAUQM-BQBZGAKWSA-N	215.445	-0.865	50	10	BBGE	
CO[C@H](CCl)CNS(C)(=O)=O	2242440949	TVTOBOZTEMRHEG-RXMQYKEDSA-N	201.675	-0.211	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1F)C1(B(O)O)CCC1	2243358076	BPEWXWLZDKGGMV-BQBZGAKWSA-N	231.032	-0.763	50	10	BBGE	
CC[C@@H](N)CN(C)C(=O)C1CC(B(O)O)C1	2243392598	VGIWVSUKAFWNGI-AMDVSUOASA-N	228.101	-0.565	50	10	BBGE	
CCCCOCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243395676	AQVUMOPNAVLVMX-IUCAKERBSA-N	229.085	-0.218	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2243397838	JZRSSYFOGJTJFN-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
C=C1CON(C(=O)c2csc(B(O)O)c2)C1	2243407502	UCDJKCPYUJOBRP-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
O=C(NCC12CC(CO1)C2)C1(B(O)O)CC1	2243409711	NJTHNDYVTMODLN-UHFFFAOYSA-N	225.053	-0.711	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1csnc1B(O)O	2243411979	DKNGJUAQKNJPSW-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
O=C(NCCc1ccco1)[C@@H]1C[C@@H]1B(O)O	2243414936	LDRPRHVKBYUFAW-BDAKNGLRSA-N	223.037	-0.199	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@H](C)O)C1CCC1	2244876838	JUCSSDAYHIEFLI-WPRPVWTQSA-N	229.324	-0.010	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H](CF)C1	2247734665	VGZZXVXLVLMVQS-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
CCN(C(=O)C#CB(O)O)c1cccc(O)c1	2247743100	ZAENVYNPOQJHFK-UHFFFAOYSA-N	233.032	-0.240	50	10	BBGE	
O=C(C#CB(O)O)N[C@]1(C2CC2)CCCOC1	2247744420	SJDPKFNVBFRYNW-LLVKDONJSA-N	237.064	-0.923	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1C(=O)C1(B(O)O)CC1	2247750942	QHPVIYCKHCMIBC-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
CC#CCCCNC(=O)c1occc1B(O)O	2247751366	WURCTAYMPPYDIY-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ncc(B(O)O)cc1F	2247757140	ONIFDWJHUCAGJW-ZCFIWIBFSA-N	238.027	-0.795	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)C1(B(O)O)CCC1	2247757883	SJPOKTOOMVQJPW-SECBINFHSA-N	242.128	-0.127	50	10	BBGE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CCC1	2247758313	UWHVKDNZHDWGOX-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
CC(C)CONC(=O)c1ccc(B(O)O)cn1	2247769377	HUAWIWAKIDMYJE-UHFFFAOYSA-N	238.052	-0.921	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2247771467	VVUURQAEMXWAGE-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2247785633	OFRBKBIIQPJZCZ-JDDHQFAOSA-N	239.080	-0.467	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247788072	YWAASXDWTQYUJR-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H](C)CN1	2247792483	SUKGTXFQRJDZKR-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CC[C@@H]2C1=O	2247806108	LZIILFPTCUURJP-KHONBHQKSA-N	237.064	-0.366	50	10	BBGE	
O=C(N[C@@H]1CCNCC12CC2)[C@H]1C[C@@H]1B(O)O	2247850860	AEZVJRSQWNTWNF-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2247858169	BPZIRWNEYXBZFV-AMDVSUOASA-N	241.096	-0.531	50	10	BBGE	
CO[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247872061	MDXGEAAFRFVIOP-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCNC(=O)C1(B(O)O)CC1	2247878644	MAASKGMZDKSKCY-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](CO)C1)C1(B(O)O)CCC1	2247879512	TUZKKOZSXOYMRA-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247887808	RVRYRTTUSFRXOH-VVULQXIFSA-N	238.096	-0.813	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)C1CC(B(O)O)C1	2247891459	JGBXFBZFBXCULN-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247893199	NWSALMZFNYQOAX-DOLQZWNJSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895291	QWVDNOJPUXISFR-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
COc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)ccn1	2247896931	MBCMBQGWOJKEDC-YUMQZZPRSA-N	236.036	-0.108	50	10	BBGE	
CCN(CC(C)(C)CN)C(=O)[C@H]1C[C@@H]1B(O)O	2247898427	DLPXZFOQZCBSNY-IUCAKERBSA-N	242.128	-0.317	50	10	BBGE	
CN(Cc1ccno1)C(=O)C1CC(B(O)O)C1	2247909799	LPHZDSJWAIXEPK-UHFFFAOYSA-N	238.052	-0.114	50	10	BBGE	
C=CC(=O)N1CCCc2ccc(B(O)O)cc21	2248406871	CQGQPHLRHVDLQL-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
Cn1cc(C=CC(=O)NCC=CB(O)O)cn1	2248414223	GSKQPARYWSSLMV-UHFFFAOYSA-N	235.052	-0.882	50	10	BBGE	
CC(C)[C@](C)(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248578324	MXHLTALLAFNELH-BYULHYEWSA-N	243.068	-0.535	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248589032	LEVVYLAGHOJLHB-FXQIFTODSA-N	243.068	-0.391	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1ncccc1B(O)O	2248693183	PABQNTDFBALPEU-BDAKNGLRSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1cocc1B(O)O	2249407837	ODDNWBJLJJYZQW-GMSGAONNSA-N	237.064	-0.170	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2249428640	BFBQOPWTLCNBNI-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2249620343	CPBRKKIUFNEFIB-VFCFLDTKSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CCC1	2250545974	PABHKTCRNMNEQG-ATZCPNFKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCN1C(=O)NCc1cccc(B(O)O)c1	2254031345	TUPDRLLIBFNGAL-SECBINFHSA-N	248.091	-0.330	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CCC[C@@H]21	2255518842	PLCIXVYXHPQYBM-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2255531132	OWLLLSCRZKRIRW-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
Cc1cccc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)n1	2255564354	OSMYHVVIJPMFMV-GHMZBOCLSA-N	248.091	-0.088	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)ncn1	2255565102	SURHBDZPAXZNQH-LJGSYFOKSA-N	246.035	-0.460	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1[C@H]2C=CC[C@H]1CC2	2255715004	ZDMUZZOQTIQZPH-IUCAKERBSA-N	247.059	-0.108	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H]2COC[C@H]21	2298166326	GOUHGHLXLDXZFL-ZRUFSTJUSA-N	239.319	-0.277	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H](O)[C@H]1CC2	2298369109	JDCAFBBUJZBZIC-ZOZBQHSOSA-N	239.080	-0.636	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CC[C@H]1C2	2298375042	VXRVYKVSOOSANA-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
NC[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298375379	HQEYYCLZZLBRHC-KBIXCLLPSA-N	238.096	-0.953	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300370813	NHKOXMPWOVYUJL-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)CO2	2300496179	GPXLBEJCZOVWOS-DZEUPHNYSA-N	239.080	-0.467	50	10	BBGE	
CN(CCCF)c1ccc(C=O)c(B(O)O)c1	2301450672	HJASEZITXUFWOI-UHFFFAOYSA-N	239.055	-0.025	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	2302211364	MYEUVHQCDVCIDS-ZKKRXERASA-N	239.319	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@@H]1CCc2nccn21	2306900368	WFPFYXXGEUCLBL-LURJTMIESA-N	246.217	-0.030	50	10	BBGE	
OC[C@@H]1C[C@@H](Nc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614505	RMUWSASUSVYRQY-YSSBGUOXSA-N	248.091	-0.810	50	10	BBGE	
CN1CC(COc2ccc(B(O)O)cc2C#N)C1	2317208666	KIDMIBUFKYOBRH-UHFFFAOYSA-N	246.075	-0.822	50	10	BBGE	
O=Cc1ccc(N2CCO[C@@H]3C[C@@H]32)cc1B(O)O	2317350043	MUJHRLSVYDUPBH-NWDGAFQWSA-N	247.059	-0.844	50	10	BBGE	
Cn1cc(/C=C/C(=O)CCl)c(=O)n(C)c1=O	70675197	IQZLYSZMFLSMHK-ONEGZZNKSA-N	242.662	-0.095	50	10	BBGE	
CCOC(=O)NNC(=O)NNC(=O)OCC	101366265	AALMEJRTCBRERJ-UHFFFAOYSA-N	234.212	-0.392	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)CSc1nnc(N)[nH]1	104501576	POSVLZJQCMZSJH-SNAWJCMRSA-N	238.276	-0.196	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@](C)(O)C1	157539463	YNVSZUAOPVKODL-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)NCN=C=O	170303852	CNHCZGYGBFFWNQ-LURJTMIESA-N	215.209	-0.168	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)c1c[nH]nn1	176265850	MHMITEHEJRFPIE-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
OB(O)c1cnc(OC2CCCCC2)nc1	198019956	FOLGQRLYAODAKC-UHFFFAOYSA-N	222.053	-0.132	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C1CCOCC1	199008173	FTJUDOZQLBMRSM-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NC(=O)COCCNC/C=C/CCl	230074531	VAIHIMFTTQXYAN-OWOJBTEDSA-N	206.673	-0.127	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCCC1	232419109	HQSWNQQUTFATEO-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
COc1cccc2nc(B(O)O)sc12	238339025	XWJKMZPRRFJHID-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
Cc1nn(-c2ccccc2)cc1B(O)O	238536521	UKIFHWPIKXJNJE-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)[C@H](C)CO1	250667126	SEUSOZXMENAPAA-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1CCCO	300021868	XLFQKRKDMMODPC-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
NC(=S)NNC(=O)N[C@H]1CCSC1	306181545	PRCRBAOOKHPLLF-BYPYZUCNSA-N	220.323	-0.461	50	10	BBGE	
O[C@@]12CO[C@@H]([C@H](Cl)[C@@H]3O[C@@H]31)[C@@H]1O[C@H]12	306233373	LOFKFQJINDDDOR-MOOOWGBESA-N	204.609	-0.728	50	10	BBGE	
NC(=O)N/N=C1\CCO[C@H](C(=O)O)C1	306344882	NPCSDLAAQDPUBG-TZLATDIOSA-N	201.182	-0.726	50	10	BBGE	
O=C(CCl)NC(=O)NCC1[C@H]2COC[C@H]12	306931932	DTMYSWZTYKNTEN-RNFRBKRXSA-N	232.667	-0.057	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1CC(=O)NN	307276495	WMBUIMWOBMTIIT-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
O=C1c2ccccc2C(=O)N1CB(O)O	307600923	ROCARDZYSRWREK-UHFFFAOYSA-N	204.978	-0.705	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1CCO	308788438	CCTJDLZERMXYRB-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
CNNC(=O)c1cccc2c1[nH]c(=N)n2C	380469185	DZKJLPCLEDDFGT-UHFFFAOYSA-N	219.248	-0.150	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)[C@H]1C[C@H]1C	381433424	XIJGQNJAUVEHJT-GJMOJQLCSA-N	213.281	-0.227	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC(CC(N)=O)C1	382178264	LDROVMNUXXPDAK-RXMQYKEDSA-N	247.682	-0.343	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@H](C)C(=O)NN	385966122	ZNJHGOPMFYKDAG-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1nnnn1C	389384308	NPHSKANLHNCBJZ-BYPYZUCNSA-N	246.658	-0.837	50	10	BBGE	
CC(F)(F)CCCNC(=O)C(=O)NN	390286646	QUDCCPMPVDEQBJ-UHFFFAOYSA-N	209.196	-0.472	50	10	BBGE	
CNC(=O)CN=c1[nH]c([C@H](C)Cl)nc(=N)[nH]1	390469141	BJXYFFZBMHEZFR-BYPYZUCNSA-N	244.686	-0.836	50	10	BBGE	
C[C@H](CSCCC(N)=O)C(=O)NN	399156854	IQAGGZOETXYZJB-RXMQYKEDSA-N	205.283	-0.779	50	10	BBGE	
NC(=S)NNC(=O)C1CCSCC1	402177592	XQVJLDSBHDXTDY-UHFFFAOYSA-N	219.335	-0.006	50	10	BBGE	
C[C@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1	585025225	OYAUMDBPIOGZIA-ZJUUUORDSA-N	237.108	-0.527	50	10	BBGE	
COCOc1cc(C)cc(B(O)O)c1C	686548783	NGADERNKPOAYQE-UHFFFAOYSA-N	210.038	-0.034	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCN(C)C)C(C)C	688924172	CHOTUCLGMLNFSF-SNVBAGLBSA-N	246.355	-0.737	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)CC1CC1	690928564	YYDXMFCYLILDJJ-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@H](C)[C@H](C)C(=O)NN	692095602	LSZPYMMUXHASBS-XHNCKOQMSA-N	229.324	-0.154	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](N)C1	695072464	YPBQMDPNSZEZOX-DTWKUNHWSA-N	214.313	-0.576	50	10	BBGE	
C[C@H]1CCCN(CCC(=O)NN)[C@@H]1CCO	697205291	AJBKGTYZDACCNK-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](NC(=O)CCCCl)[C@H](O)CO	698872639	MDIXPNNWGWVODJ-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](N2CCC2)C1	702241010	VMKSPUBRUXVTBT-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CN(Cc1ncnn1C)C(=O)NC(=O)CCl	707498160	SKEXXIIIVXFUST-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1COC[C@@H]1O	709211243	VGNDVOUNYPJSOO-PRJMDXOYSA-N	209.673	-0.722	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(O)(C#N)CC1	709392565	XPNHPMKVZPGZFR-IUCAKERBSA-N	240.307	-0.649	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2C[C@@H]2C2CC2)c1	714932162	LWHAZQMPBBLYMS-GXSJLCMTSA-N	220.081	-0.001	50	10	BBGE	
CN(CCCF)C[C@@H]1CC[C@H](C(=O)NN)O1	716693007	ZTHFDFBSJPTKKX-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CCOC1CC2(C1)C[C@H]2NC(=O)C(=O)NN	721254470	GKKQIZYTSSANDM-PRZNWYJVSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	722221150	VULNHHHTDDYTRI-KATARQTJSA-N	238.287	-0.147	50	10	BBGE	
CN(C(=O)C1=NCN=C1)[C@@H]1COC[C@H]1Cl	725690778	OMJKGJDIRPDVSX-HTRCEHHLSA-N	229.667	-0.066	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)c1cn[nH]c1	794852934	ZZLBWCLYMSVJJI-SECBINFHSA-N	238.247	-0.335	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@H]2CCCO2)CC1	843894702	XZSKCWYHJUPFIU-SSDOTTSWSA-N	228.248	-0.508	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1nnc(C)n1C	856054939	CSAXTVYYAPPTPE-SECBINFHSA-N	225.252	-0.496	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C\c1cnccn1	910171394	VRHCFXGYMMEDLF-ZBJFTSOASA-N	236.275	-0.166	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc(CO)c1	1136378264	DIUUCDVRNDWNJI-UHFFFAOYSA-N	224.220	-0.852	50	10	BBGE	
CCO[C@@H](C(=O)NNC(C)=O)[C@H]1CCOC1	1261845869	QQZZDINTWVRUSN-DTWKUNHWSA-N	230.264	-0.405	50	10	BBGE	
COC(=O)NNC(=O)c1ccc(C#N)nc1	1320260789	MXCBRWZJRZUIIB-UHFFFAOYSA-N	220.188	-0.046	50	10	BBGE	
O=C(/C=C/c1ccncn1)NNC(=O)NC1CC1	1597633449	OENKRJALIABNNI-ONEGZZNKSA-N	247.258	-0.017	50	10	BBGE	
C[C@@H](Br)C(=O)NOCCO	1880074330	ZSJATSXMHRKLPZ-SCSAIBSYSA-N	212.043	-0.190	50	10	BBGE	
CN=C(NN)NC[C@H]1C[C@H]1Br	1880434944	WVPBHFJONOUBGT-RFZPGFLSSA-N	221.102	-0.192	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=N[C@H]1C[C@@H](Br)C1	1882560906	MTJHVMJHPRINSF-SYDPRGILSA-N	246.112	-0.013	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC(=O)NN)CS1	1882945676	IPHBEKNWDCMYAU-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@H]1Cl	1883645241	NBIUCVPYWOKFQR-CBQIKETKSA-N	200.669	-0.052	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1C[C@@H]1CO	1883649521	RRKDVKCBPXJQGZ-GONBATFASA-N	203.625	-0.195	50	10	BBGE	
CN1CCC[C@]1(C)COCC(=O)NN	1887352611	BEUSNJDPFJXABL-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CCl	1888562308	SSLDXZYGPFWJLS-UHFFFAOYSA-N	228.701	-0.074	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)CN(C)C	1893428493	AGGWNRKINQQUHZ-SFYZADRCSA-N	202.302	-0.753	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	1900270998	WARWPUIUMIKWAR-GJMOJQLCSA-N	228.101	-0.661	50	10	BBGE	
CCN(CC(N)=O)[C@H](C)CCCC(=O)NN	1901758084	YXENVWIZQZUTHO-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
CCN1CC[C@H](N2CC[C@@H](B(O)O)C2)C1=O	1902528934	KMCUEJZFCBJQKU-BDAKNGLRSA-N	226.085	-0.844	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C)CN(C)C	1904694814	LOOFKRVDODRGQR-QMMMGPOBSA-N	230.312	-0.964	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CF	1905009434	NFZWJGKEVUJNCM-AXMZGBSTSA-N	225.647	-0.484	50	10	BBGE	
CCc1cn([C@@H](C)CC(=O)NN)c(=O)nc1O	1905542373	OYPCUCGJAADIIK-LURJTMIESA-N	240.263	-0.548	50	10	BBGE	
C[C@@H](CN1[C@H](CO)C[C@@H]2CCC[C@@H]21)C(=O)NN	1906309725	PWSGWZMWLIJTEY-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](Cn1nc2n(c1=O)CCCC2)C(=O)NN	1912214744	VUSHYSXVKYMTLD-SSDOTTSWSA-N	239.279	-0.993	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]12CCOC2	1915571221	MSCKVKJPSAHLAE-FXPVBKGRSA-N	225.292	-0.523	50	10	BBGE	
N[C@@H]1CC[C@@H]1NS(=O)(=O)CBr	1923842693	OEJVSRDSBCJMEX-UHNVWZDZSA-N	243.126	-0.252	50	10	BBGE	
C[C@H](CC#N)N(C)CCOCC(=O)NN	1928180274	YZOAVXUIAPRLDA-MRVPVSSYSA-N	214.269	-0.773	50	10	BBGE	
COC(=O)CCSCCOCC(=O)NN	1928182228	XHDVKSIKTFCRBZ-UHFFFAOYSA-N	236.293	-0.711	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2nnn(C)n2)C1	1928754653	DFFXHVBMBIRVLZ-BQBZGAKWSA-N	230.703	-0.779	50	10	BBGE	
CN1C[C@H](NC(=O)CBr)[C@H](O)C1	1928756674	WVNQSMZETBBLBH-NTSWFWBYSA-N	237.097	-0.828	50	10	BBGE	
CC[C@]1(C(=O)NNCCO)CCCO1	1929838764	SKZDIKXEKDHZKI-SECBINFHSA-N	202.254	-0.441	50	10	BBGE	
NC(=S)NNC(=O)C12CCCN1CCC2	1934052690	BSVXWBCGZNMWMQ-UHFFFAOYSA-N	228.321	-0.521	50	10	BBGE	
COCCCCCn1ccc(B(O)O)n1	1934354938	UKANSUYGLLAAPO-UHFFFAOYSA-N	212.058	-0.620	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H](CO)C1	1936093616	GCQZEBSNPMGADI-OPRDCNLKSA-N	227.308	-0.683	50	10	BBGE	
CSC1CN(Cc2ccc(B(O)O)cc2)C1	1939044690	QCRPSNBDPCWWBX-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1944298740	OLNANSBTCOMWRQ-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1946222465	LCGWQRXRGNJDFZ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CN1CCC(N2CC[C@H](B(O)O)C2)CC1	1951321101	YPUQCHQRISAMMR-VIFPVBQESA-N	212.102	-0.371	50	10	BBGE	
Cc1cc(C#N)ccc1C(=O)NCB(O)O	1951321828	IPASLOTTYSOFBE-UHFFFAOYSA-N	218.021	-0.392	50	10	BBGE	
O=S(=O)(CCl)N1CC=C[C@H](O)C1	1953625729	IMDLCMWMJKGLRG-LURJTMIESA-N	211.670	-0.255	50	10	BBGE	
NCCOCCSCCC(=O)NN	1953965662	VFAVMSTYXPQAPC-UHFFFAOYSA-N	207.299	-0.925	50	10	BBGE	
C[C@H]1CC[C@H](CCN(C)CC(=O)NN)O1	1958880411	FPGOASPKYPGKGV-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)C[C@@H]1N(C)C	1961289664	ZXMXPHZMDKZDEQ-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CCC[C@H]21	1961306535	QFNYWOKKDDPOGW-RNFRBKRXSA-N	229.305	-0.527	50	10	BBGE	
CC(C)(F)CC(=O)N[C@@H](CB(O)O)C(=O)O	1976995204	OGMXEGYADHRUHA-YFKPBYRVSA-N	235.020	-0.833	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN=S(C)(C)=O	1980590496	IQOWUZMLVBHVMW-UHFFFAOYSA-N	245.308	-0.749	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2COCC[C@H]21	1980814852	YWVSGJMHGCNARV-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)C(C)(C)C1	1981195331	AEXZZVNVOUUTEY-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
Cc1cc(N2CC(F)(F)C2)ncc1B(O)O	1981470321	AEARMVDBXUVOHP-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1F	1982679543	SEODVASOGSOCML-XHNCKOQMSA-N	233.287	-0.186	50	10	BBGE	
C[C@H](CCOC[C@@H]1C[C@@H]1C(=O)NN)N(C)C	1983693745	KJSLURPLZMTOMP-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]2CC[C@H](C1)O2	1985265784	PHFJWDUDPJYXGQ-OWUUHHOZSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cnc(C(=O)NN)s1	1985739619	FAFUTGJLMZAGPB-VDTYLAMSSA-N	242.304	-0.688	50	10	BBGE	
COCc1cnccc1C(=O)NNC(N)=O	1986952875	FYDJTOCGZRFOPM-UHFFFAOYSA-N	224.220	-0.459	50	10	BBGE	
N#CC1(O)CCN(c2cn[nH]c(=N)c2)CC1	1987584890	DWYXUOFTKINNBI-UHFFFAOYSA-N	219.248	-0.256	50	10	BBGE	
CC(F)(F)COc1ncc(F)cc1B(O)O	1988003174	HQDUHWQJYXTXPC-UHFFFAOYSA-N	234.970	-0.066	50	10	BBGE	
NNC(=O)CCN1CC[C@H](CO)C12CCC2	1988761895	QBWFSPPWTZXWBT-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1COC[C@@H]1F	1989317999	BHOXJDQJCYDFGO-LXGUWJNJSA-N	229.207	-0.360	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@]12CNC[C@@H]1COC2	1991447457	BINUNCSLTSISGN-DKIAZLNASA-N	244.722	-0.034	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](CO)[C@@H](CO)C1	1991663153	RLWPJRARSZBESC-OCAPTIKFSA-N	247.678	-0.633	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](OCCO)C1	1991715186	QWYYKJZYZYXQAS-FHKCNRDCSA-N	247.678	-0.082	50	10	BBGE	
NNC(=O)NC[C@@]12CCC[C@@H]1CS(=O)(=O)C2	1993710274	LOKDGJRVLFYXPV-VXNVDRBHSA-N	247.320	-0.626	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1(F)CC1	1994969657	APBYAOHEOUCAAF-UHFFFAOYSA-N	224.000	-0.798	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1[C@@H]2CC[C@@H]12	1997529562	MOGJWFXRMDNTNU-NXEZZACHSA-N	231.060	-0.039	50	10	BBGE	
Cc1cc([C@@H]2CCCN2C(=O)C(=O)NN)no1	2004445267	AGGSJMYMPSXADJ-QMMMGPOBSA-N	238.247	-0.364	50	10	BBGE	
C[C@H]1CCC[C@H](C)N1c1ncc(B(O)O)cn1	2004911778	KTAOSQXLRUDXJJ-IUCAKERBSA-N	235.096	-0.076	50	10	BBGE	
Cc1ncnc(OC[C@H](C)C2CC2)c1B(O)O	2004924683	FZQQPGUACUVIOQ-ZETCQYMHSA-N	236.080	-0.110	50	10	BBGE	
Cc1nc(N2CCO[C@@H]3C[C@H]32)ccc1B(O)O	2005016978	XTEYSDCTMQCUNK-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
COC[C@H](OCCCN1CCCC1)C(=O)NN	2007019860	GYLNOYBJTHZWNG-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CCc1nccn1-c1ncc(F)cc1B(O)O	2014932180	KKHRQRGRQOCSGG-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016372055	XCIBVNIEFRBJMS-FKSVDQQFSA-N	239.319	-0.423	50	10	BBGE	
CCN1CCCN(CC(=O)NNC(C)=O)CC1	2019209313	KTAVGSHMDNODQG-UHFFFAOYSA-N	242.323	-0.819	50	10	BBGE	
O=C(C[C@H]1CCOC1)N[C@H]1CCC=C1B(O)O	2020060498	BIPDUNKUGZZGGE-SCZZXKLOSA-N	239.080	-0.370	50	10	BBGE	
CC(C)(C(=O)NCC#CB(O)O)[C@H]1CCCO1	2021158202	YLJXQAFNFAEVIZ-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCc2nnccc2C1	2043020844	XVPZXUAYHPBBCL-VHSXEESVSA-N	247.302	-0.539	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@@]2(C)C1	2050241638	BAYGNEGUBWIIEP-PELKAZGASA-N	249.318	-0.135	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C2(CC2)C1	2052470550	FVYVPYGAUXXRIU-VIFPVBQESA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@H]3CCC[C@@H]32)nc1	2052473231	RFKPZRJUDWWCFN-QWRGUYRKSA-N	248.091	-0.481	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@@H]1CCN(C)C1	2052499246	PZRCURMWMYNTIC-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc(B(O)O)cc(OC)c1F	2060112341	LGTUNVILCSRALT-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCOc1ccc(C#N)c(B(O)O)c1[N+](=O)[O-]	2060215659	HWQXKOHQPUSZIN-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC[C@@H]1C1CC1	2071769533	OPNNSIZFMATSJI-MNOVXSKESA-N	247.107	-0.219	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2079008756	MIOKRSPZGATYEA-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
CC#CCCCNC(=O)c1cccc(B(O)O)c1	2083494914	XSSJFUXEUDSTCV-UHFFFAOYSA-N	245.087	-0.100	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1ccc(B(O)O)s1	2211071660	DXKMMYIZBHVKGO-APPZFPTMSA-N	242.105	-0.021	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2212603264	DYOSRDGBKFBTHL-IUCAKERBSA-N	221.069	-0.947	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCSC2)c1F	2212605115	YBNBUVLOFYIEER-ZCFIWIBFSA-N	242.084	-0.182	50	10	BBGE	
CC[C@H](CNc1ccc(B(O)O)cn1)OC	2212611501	ADKYTCSZWOFSBU-SECBINFHSA-N	224.069	-0.402	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2215772189	MIRGZDUKMJCLCP-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@]2(C#N)C1	2216068769	RFAPSYHSWIBXTH-IQJOONFLSA-N	238.291	-0.631	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCCC[C@]2(CO)C1	2216722564	KDKAVALGEREOAX-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(O[C@H]2CCN[C@H]2C)cc1B(O)O	2217168808	YBKWOHNIWUSFOY-WPRPVWTQSA-N	236.080	-0.801	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ncccc2B(O)O)CN1	2217175792	NGLBPKXSGWVENK-IUCAKERBSA-N	235.096	-0.686	50	10	BBGE	
OC[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217178111	RPKHPPRGOGYVNA-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
CCC1(Nc2nccc(B(O)O)c2F)CNC1	2217180706	KCVKUDFBGVQPBY-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3C[C@H]32)c1F	2217181470	QFNNCHBKELYHSX-VXNVDRBHSA-N	236.055	-0.111	50	10	BBGE	
Cc1cnc(NC[C@@H](O)C(F)F)cc1B(O)O	2217183315	HGCKCAKGWQUZBX-SSDOTTSWSA-N	246.022	-0.892	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217184734	RFRJRXLOUCBNAF-SCZZXKLOSA-N	236.080	-0.980	50	10	BBGE	
CN(c1ncccc1B(O)O)C1(CCO)CC1	2217198667	DWMQBDXTUSRLPO-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@]12CCOC2	2217200231	IUAXULGJQCDYBT-GXSJLCMTSA-N	234.064	-0.648	50	10	BBGE	
CCC[C@@H](COC)Nc1ncccc1B(O)O	2217202108	HRGATPMCXZYVHY-VIFPVBQESA-N	238.096	-0.012	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1Nc1ncccc1B(O)O	2223641676	CMMQLRQGRCQKGE-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3NCC[C@H]32)c1	2223642046	YHIOVXBTGOCUKJ-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N[C@@H]2CCNC[C@H]2C)cc1B(O)O	2223653787	UTTHCGABJOCZGH-MWLCHTKSSA-N	249.123	-0.520	50	10	BBGE	
OC[C@@]12CC[C@@H](CN1c1cc(B(O)O)ccn1)C2	2223676365	AFOWMNHIZXJUJC-SKDRFNHKSA-N	248.091	-0.887	50	10	BBGE	
COCC(COC)ONC(=O)CCl	2241509129	IXDYTMDNFXDRMJ-UHFFFAOYSA-N	211.645	-0.066	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H](C)CF	2243348382	XIDBAJXMXDOWQU-RXMQYKEDSA-N	229.016	-0.644	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccoc1B(O)O	2243361879	IQCHXSTXPNGQSM-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCC1	2243375127	OXLBLEKXJWIYKH-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC12COC2	2243382603	QOKQALDFDRAKCE-ZKCHVHJHSA-N	225.053	-0.759	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H]2B(O)O)cs1	2243395933	FANVQPXFQPSMOL-JGVFFNPUSA-N	240.093	-0.069	50	10	BBGE	
COCC1CN(C(=O)C2CC(B(O)O)C2)C1	2243396317	KPTAHPRSYWGZKH-UHFFFAOYSA-N	227.069	-0.656	50	10	BBGE	
Cc1cc(C(=O)N(C)CCF)sc1B(O)O	2243410043	ULPBPXUCICSRFV-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
C=CCNC(=O)c1ccc(Cl)cc1B(O)O	2243410404	BACNRRRGVHTPSQ-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1csnc1B(O)O	2243412832	UNFMZZVZAMUZJN-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
CNC[C@@H](C)N(C)C(=O)C1CC(B(O)O)C1	2243413725	MHSHTTYHBANYSD-AFPNSQJFSA-N	228.101	-0.694	50	10	BBGE	
O=C(NOCC(F)(F)F)[C@H]1C[C@@H](B(O)O)C1	2243415423	UREQRHDVOQDKHX-SYDPRGILSA-N	240.974	-0.151	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CO)CCC1	2243426679	KFNKGSVKRRLMQX-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCCC1	2243426996	OQCVKFLPXKWUCD-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
CCCC(=O)Nc1ncc(B(O)O)cc1F	2243585314	ZPJURPWQSHVXPW-UHFFFAOYSA-N	226.016	-0.361	50	10	BBGE	
COCC[C@@H](C)C(=O)NCCC#CB(O)O	2244549218	ZUZVLNGPNDUAJI-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
Cc1cnc(S[C@H]2CC[C@@H]2O)cc1B(O)O	2245949594	WNQVAHBYJREXPV-IUCAKERBSA-N	239.105	-0.315	50	10	BBGE	
NCCc1ccc(NC(=O)C#CB(O)O)cc1	2247738634	TUOFHCCVJISRMB-UHFFFAOYSA-N	232.048	-0.858	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1ccc(B(O)O)o1	2247740264	IFBRZDIDCNAUDY-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC[C@@H]2C[C@@H]12	2247742183	LPTOEZAAAHHIIB-AXFHLTTASA-N	235.092	-0.056	50	10	BBGE	
CC[C@@H](NC(=O)c1ccoc1B(O)O)C(F)F	2247746954	GXJGNUFPJHHSPD-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@@H]2CCCCC[C@@H]21	2247747403	NBRSPPRBELTOJW-BDAKNGLRSA-N	235.048	-0.681	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1cnn(C)c1	2247753785	CNOIDUHKDSMBRW-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CCNCC1	2247796787	CUCZCIIIMAAFJZ-FKTZTGRPSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797199	GZWFFGOFOSPZBS-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247800825	TZGJDAFOFNSASW-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)CCN1	2247801017	WCAOHHYEDGHZNK-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
CCC[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCOC1	2247801109	XEMTZDXUUBJWCK-QXEWZRGKSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247805047	AMWKBKXJJQQOCL-JXUBOQSCSA-N	240.112	-0.422	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2247810114	UWEAUCBVGARXRA-VGMNWLOBSA-N	240.112	-0.504	50	10	BBGE	
O=C(N1C[C@H]2CC[C@@]2(CO)C1)C1(B(O)O)CC1	2247857498	VLBMBGQDBZNOGP-SCZZXKLOSA-N	239.080	-0.776	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCC[C@@H]1O	2247860691	ZWMGPZDBCYSDJZ-JXUBOQSCSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC1CCC1)c1cc(F)ccc1B(O)O	2247868424	TZKRVJKUYWDMED-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCCNC1	2247880352	ZNHMUHXEWGQFCV-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247895858	BVHLBQOMHNPLRL-CIUDSAMLSA-N	240.112	-0.504	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247896457	HFNHBVAJMJEDEO-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCCn1ccnc1)[C@H]1C[C@@H]1B(O)O	2247896742	JWRPONXMSWKHCA-IUCAKERBSA-N	237.068	-0.748	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CC[C@H]2O)C1	2247911549	WTCSPNNYNRCETC-AMDVSUOASA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1cocc1B(O)O	2249429188	UHPQKWOYGJTFPF-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
O=C(NCCC#CB(O)O)C12CC(CCO1)C2	2250006845	QKKODADOUPCIDJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255459251	DGVHHJHOPKEAIK-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1occc1B(O)O	2255489444	TVTQVYYBFZRPKX-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1cc(B(O)O)cn1C	2255504360	MPDYVVDZLPLGPR-SNVBAGLBSA-N	248.091	-0.505	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1C	2255515247	VDCYNTDJRRBLGJ-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
CCC1(CNC(=O)c2ncccc2B(O)O)CC1	2255517871	YABOBVREMPCEIO-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1cc(C(=O)NCCC#N)cc(C)c1B(O)O	2255559464	WCFXNUOPQZTERK-UHFFFAOYSA-N	246.075	-0.373	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2255716719	UGYYHAFUSLZBEU-CUJWVEQBSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC2(CC2)C1	2255721315	WSHVAUSUGCBQNV-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C1CCCC1	2255729525	XADICFHQMFMFHI-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1cc(B(O)O)n[nH]1	2255762039	PHPZNDANQYXWOF-UHFFFAOYSA-N	247.063	-0.928	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@]2(C)C[C@@H]2C)c1B(O)O	2255783120	ALPMETRIIAPQQH-UFBFGSQYSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H]2CCCN2)cc1B(O)O	2258798015	WHAIHISKBHDEOF-ONGXEEELSA-N	249.123	-0.378	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@@H]2C[C@H]1CO2	2298296880	NICPKEZXOWFUSP-IVZWLZJFSA-N	239.080	-0.514	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2298371923	ZLDQMYNVKGRMBA-RXKWGBCNSA-N	239.080	-0.779	50	10	BBGE	
CN(C)[C@@]1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375989	AGRYTAVSOYRKTL-YWVKMMECSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298568018	CPBRKKIUFNEFIB-WYCDGMCDSA-N	239.080	-0.467	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299355698	PNWQTTMVRCBOTA-DOLQZWNJSA-N	239.080	-0.613	50	10	BBGE	
C[C@H](CN)N(C)c1ccc(B(O)O)cc1C#N	2301341594	RCADKNRWPUSYLU-MRVPVSSYSA-N	233.080	-0.979	50	10	BBGE	
CCCN(OC)c1ccc(C=O)c(B(O)O)c1	2301420275	CMBVEOIGARQJTK-UHFFFAOYSA-N	237.064	-0.043	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)C(=O)NCC=CB(O)O	2301930528	JPOVNCOETILVJA-VIFPVBQESA-N	243.112	-0.286	50	10	BBGE	
CCCn1cnnc1CN1CC[C@H](B(O)O)C1	2303106926	VKLQBKFLSYEPJN-VIFPVBQESA-N	238.100	-0.263	50	10	BBGE	
CCC[C@@H](CN)Nc1cc(B(O)O)c(F)cn1	2303835152	ROJHPWBXYMKXLB-ZETCQYMHSA-N	241.075	-0.560	50	10	BBGE	
C=CC[C@@H](CO)Nc1cc(B(O)O)c(F)cn1	2303850510	SUUILAIJYOMVSS-ZETCQYMHSA-N	240.043	-0.751	50	10	BBGE	
N#CCN(CC#N)CCCCCC(=O)NN	70652452	GQUIPTZETHSSIX-UHFFFAOYSA-N	223.280	-0.114	50	10	BBGE	
C/C=C/COCCn1cc(C(=O)NN)nn1	82465212	UOGHVNAIGYZNPS-NSCUHMNNSA-N	225.252	-0.526	50	10	BBGE	
CCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	82466843	VXKREPXTCDZOER-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CSc1nnc2ccccn12	82472671	CGQYSQHWQKYHRJ-UHFFFAOYSA-N	223.261	-0.189	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnc2)nc1	87224071	JOKTZDHDCXDAPF-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
CNCCCN(C)CCCCC(=O)NN	87472914	BENQDMMGHZXKIN-UHFFFAOYSA-N	216.329	-0.312	50	10	BBGE	
COC(=O)[C@H](Br)CN(C)CCO	88011739	QNPPMJWSKXNSRK-ZCFIWIBFSA-N	240.097	-0.153	50	10	BBGE	
O=C1C[C@@]2(CCN(C(=O)CCl)C2)N1	95073950	NVHGBFLTBSBNNI-MRVPVSSYSA-N	202.641	-0.284	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CCO)C1	125281939	BYUCRZPWYMGFJN-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2C(=O)CC[C@@H]2C1	168766965	PTEYOVXYCGAMDA-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
O=C=NCNC(=O)N1CC[C@H](C(=O)O)C1	170303906	UEZNWDSWQSQFAS-LURJTMIESA-N	213.193	-0.604	50	10	BBGE	
CNC(=O)[C@H]1CCCON1C(=O)CCl	196595506	AKTSVPBQOQOGRS-ZCFIWIBFSA-N	220.656	-0.106	50	10	BBGE	
CCC[C@H](Sc1nnc(N)n1C)C(=O)NN	211728280	NWMCPASPZXNODG-YFKPBYRVSA-N	244.324	-0.352	50	10	BBGE	
COCCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223089499	UIUKULFYEJYMFA-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O[C@H]1O[C@H](CCl)[C@H](Cl)[C@H](O)[C@H]1O	224584604	ZIBMGOYQTGGDCE-PHYPRBDBSA-N	217.048	-0.728	50	10	BBGE	
CCCN1CCN([C@H](COC)C(=O)NN)CC1	232418861	XJPQSPAIIRVLFF-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC([C@@H](C)O)CC1	234699764	PSMNAPNXPOSHNG-PSASIEDQSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](SC[C@H]1CCCO1)C(=O)NN	234707361	HWOJCJQBNOLQOZ-HTQZYQBOSA-N	234.321	-0.097	50	10	BBGE	
CCN(C[C@H]1CCCO1)[C@H](C)C(=O)NN	249828120	NXWBLTFIKCULRX-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
N#C[C@]1(O)CCN(C2CCS(=O)(=O)CC2)C1	260510641	RGZDFNOFGNOXLT-SNVBAGLBSA-N	244.316	-0.476	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1C[C@H]2C[C@@H]2C1	307238789	OYRLOKRCKBHSRP-NXEZZACHSA-N	235.067	-0.043	50	10	BBGE	
OC[C@H]1[C@H](CCl)[C@H]2C[C@H]1[C@@H](O)[C@H]2O	307349371	FWCUIQMBBGFVSD-QGMREWSDSA-N	206.669	-0.179	50	10	BBGE	
Cc1nn(-c2ccccc2F)cc1B(O)O	309497335	DZHCQTPPWIHZKZ-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
COC1(C)CCN([C@@H](C)C(=O)NN)CC1	380109446	RNTDPGBFHNMYNN-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
N[C@H](CC(=C/C=O)/C=C(\O)C(=O)O)C(=O)O	390234860	FNEGJFDTWWXQES-DOOYXZHASA-N	229.188	-0.560	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)[C@@H]1C[C@@H]1C	393743841	HOMMKIACDXIKLI-RNJXMRFFSA-N	213.281	-0.083	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1CC(=O)O	396134580	BLWQKSIGCUCTMI-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
Nc1cc(C(=O)O)c(B(O)O)c2sccc12	396236324	DJLPKAZNTHBLIK-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1c(O)cc(B(O)O)c2sccc12	396337145	HADBYYMPTFGCTG-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1ccc(O)c2c(B(O)O)csc12	396373392	ABYGFCTUCADHTR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COCCC(=O)NCc1cc(B(O)O)cs1	404974709	AFVGMNIILAIUSM-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)s1	405064926	UHHIRZNXASJFGD-POYBYMJQSA-N	239.105	-0.300	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ncccn2)CO1	496636750	OMXBYNICBBBKRZ-YFKPBYRVSA-N	223.192	-0.972	50	10	BBGE	
NC(=S)NNC(=O)c1cccnc1F	606283642	IANIVSWQIWMMJZ-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
Cc1ccn(CC(F)(F)C(=O)NN)n1	685957091	MEKAUZRPFYREPX-UHFFFAOYSA-N	204.180	-0.183	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC(O)(C#N)CC1	692120421	HRIXOKWGTDSJAA-UHFFFAOYSA-N	233.293	-0.857	50	10	BBGE	
C[C@H](CN1CC[C@@H](N(C)C)[C@H](C)C1)C(=O)NN	693632543	YEQFYXBGJMJVPO-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	694828911	JJLBCFPXBMSQMQ-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
COC1CC(CN(C)[C@@H](C)C(=O)NN)C1	703369493	RZADIOXQVAMXMR-UEJVZZJDSA-N	215.297	-0.278	50	10	BBGE	
O=C(C1CC1)N1CCc2c(B(O)O)cccc21	712230113	YIXUPGUVTNAJBA-UHFFFAOYSA-N	231.060	-0.335	50	10	BBGE	
CC(C)OCCC(=O)NNC(N)=S	716858443	XGVCODLGNUZBBA-UHFFFAOYSA-N	205.283	-0.334	50	10	BBGE	
CN(C)C[C@@H](Cl)CNCCS(C)(=O)=O	717275032	CECJAJMRHFUPSO-QMMMGPOBSA-N	242.772	-0.210	50	10	BBGE	
Cc1nn(C[C@H]2CC23CC3)c(C)c1B(O)O	722833391	ITUFJFAOSRDJBS-SECBINFHSA-N	220.081	-0.020	50	10	BBGE	
CC1(O)CN(C2=C(C#N)[C@@H](N)[N]S2)C1	725587928	JOHRGCRZEYFQKE-LURJTMIESA-N	211.270	-0.661	50	10	BBGE	
CC(CCN(C)C)=NNC(=O)[C@H]1COCCO1	767385344	MHENRPHJPKHIRD-SNVBAGLBSA-N	243.307	-0.154	50	10	BBGE	
CC(CCCO)=NNC(=O)[C@@H]1COCCO1	814860242	DUTPDIQXWKUHIK-VIFPVBQESA-N	230.264	-0.334	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H]1COC2(C)C)C(N)=O	831519861	RWQKBOXOBYEERE-LDWIPMOCSA-N	227.264	-0.157	50	10	BBGE	
Cn1nncc1NNC(=O)C(C)(C)n1cccn1	857269975	KXQZFEIALBRQOZ-UHFFFAOYSA-N	249.278	-0.110	50	10	BBGE	
O=S(=O)(CCl)N1CC2(CC(O)C2)C1	1260927459	LLZQYSKLXVSOAM-UHFFFAOYSA-N	225.697	-0.031	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1C(N)=O	1569081819	BTIFANNQWTWQBW-UFGYOYAJSA-N	237.259	-0.093	50	10	BBGE	
Cc1cc(NNC(=O)c2cnn[nH]2)nc(N)n1	1611628790	KDEDDDIICOOWJR-UHFFFAOYSA-N	234.223	-0.758	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NCCO)cn1	1618293360	MKWDGHFNGPZAKO-WTKPLQERSA-N	220.232	-0.564	50	10	BBGE	
C/C=C(/C)C(=O)NNC(=O)[C@H]1COCCO1	1772837819	KCVWHGCGBJVAOH-LSFDQVSLSA-N	228.248	-0.485	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H]1C[C@H](O)CN1	1866039634	AWAFOGWYVMWETK-LYFYHCNISA-N	206.673	-0.547	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@@H]1C[C@H](O)CN1	1877393429	GTDXZGKDQKHULZ-KVPKETBZSA-N	218.684	-0.547	50	10	BBGE	
NC[C@H](O)C(=O)NC1CC(Br)C1	1880965539	ZCLBTEXWDCMAJC-WRVKLSGPSA-N	237.097	-0.652	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](NC[C@@H]2CCO2)C1	1885009014	GDTUFGQUPOHAQM-BIIVOSGPSA-N	239.724	-0.231	50	10	BBGE	
CC[S@](=O)N1CC[C@@](C)(B(O)O)C1	1891518063	WRYLWFZLTKNIOM-UHLUBPPHSA-N	205.088	-0.391	50	10	BBGE	
NCCOCCNC(=O)/C=C/C(=O)Cl	1893498526	VEZPUILMLPLJMA-OWOJBTEDSA-N	220.656	-0.601	50	10	BBGE	
C=C(CN(C)CC[C@@H](C)OC)B(O)O	1895149297	PMCNLEMDPKUIOZ-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
CN1CCC(OC[C@@H]2C[C@H]2C(=O)NN)CC1	1897284880	AGTYTAMPCWLGRN-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1CN([C@@H](C)C(=O)NN)CC[C@H]1OC	1897395840	XQKGSAMQDLMWBA-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
CN1CC[C@@H]1COCCC(F)(F)C(=O)NN	1899509377	LFJHNOKKAQQWLM-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@H](C)C(=O)NN	1899736494	UZLHRHJUKVBSBU-GUBZILKMSA-N	227.308	-0.376	50	10	BBGE	
CN(NC(=O)c1cccnc1N)S(C)(=O)=O	1901341317	SSCZFOUFUDGDFY-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
O=S(=O)(c1cc[nH]c1)N1CC[C@@H](B(O)O)C1	1902512568	NSOVPQSUQLFUTR-SSDOTTSWSA-N	244.081	-0.748	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@H](O)C1)C(=O)NN	1902716538	UBJGHNQKTSQVSH-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CCC1CC(=O)N([C@@H](C)CC(=O)NN)C(=O)C1	1905573738	RWYAFGXMDDMTRU-ZETCQYMHSA-N	241.291	-0.070	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN([C@H](C)CC(=O)NN)C1	1906326379	IOHGUPLEQUMLTN-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CC(=O)NN)N=S1(=O)CCC1	1913862394	MXDDSERTFJALRI-ZCFIWIBFSA-N	205.283	-0.373	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)CC2(CC2)C1	1926419339	FXAJHNUQUFFOFP-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C)N(C)CC1(C(=O)NN)CC1	1931260954	ZQAHCQQKBDOSEL-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936092157	SAGCIILHCFCIMR-LURQLKTLSA-N	225.292	-0.131	50	10	BBGE	
Cn1nc(CN2CC(=O)OC(=O)C2)cc1Cl	1938967611	YVEIWLZJCLJODZ-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
N#Cc1ncn(C[C@@H]2C[C@@H]2C(=O)NN)c1C#N	1941086120	HFBIQLVUOSKCIO-BQBZGAKWSA-N	230.231	-0.748	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)[C@H](C2CC2)C1	1943085568	XUAQXWAEMRBYCO-WDEREUQCSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(C)[C@@H](OC[C@@H]1COCCO1)C(=O)NN	1948420968	QMGGYZOXXKCVAT-IUCAKERBSA-N	246.307	-0.177	50	10	BBGE	
[C-]#[N+]CC[C@@H](CS(C)(=O)=O)NC(C)=O	1951437709	GFCUBALFLZAHKJ-QMMMGPOBSA-N	218.278	-0.155	50	10	BBGE	
O=C1CN(C(=O)CBr)[C@@H]2CC[C@@H]2N1	1953945338	CJQRVNSBBXJKBW-NTSWFWBYSA-N	247.092	-0.129	50	10	BBGE	
C=C(CCl)CN1CC(O)(C(N)=O)C1	1954821731	CZFISSNUVHKWFW-UHFFFAOYSA-N	204.657	-0.687	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)[C@H]2C[C@@H]21	1960954382	YUEZFTGVQYHKTQ-BQBZGAKWSA-N	231.683	-0.150	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	1960963075	FPFODDGVBIIJIB-IWSPIJDZSA-N	212.297	-0.857	50	10	BBGE	
CN(CCN1CCOCC1)C[C@@H](O)CCl	1961262859	RWJSZJZMVDOXGP-JTQLQIEISA-N	236.743	-0.150	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]2C[C@H]21	1961509029	OHNZDYGPCHKKEX-HRDYMLBCSA-N	213.281	-0.526	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)C1CC1	1961713000	QKBUNDZZFFEIMJ-ZETCQYMHSA-N	207.038	-0.061	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961922298	SLHDSYSKXRAEMB-LRPJSKTQSA-N	230.695	-0.067	50	10	BBGE	
Cc1ncnc(C)c1C(=O)N1CC[C@H](B(O)O)C1	1964510203	IXQBYYCMFVHHOD-VIFPVBQESA-N	249.079	-0.218	50	10	BBGE	
NNC(=O)CCCN1CCC[C@](F)(CO)C1	1975526503	FVTWDXGNEDGNBN-SNVBAGLBSA-N	233.287	-0.447	50	10	BBGE	
COC[C@H](O[C@@H]1COC(C)(C)C1)C(=O)NN	1981310493	DNVOGNFUWCXYBB-YUMQZZPRSA-N	232.280	-0.425	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CCCC1	1984102704	WANDPWFGSJJJCV-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
CCC1CC(n2cccc(B(O)O)c2=O)C1	1984107213	NHYCZYOIWLNMRK-UHFFFAOYSA-N	221.065	-0.111	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(O)CCNC2)CC1	1986133110	BWZDPXZXJFOQJV-LLVKDONJSA-N	221.260	-0.607	50	10	BBGE	
O=C(NCB(O)O)C(F)(F)C1CCOCC1	1986789428	BSKAITWBJFAKSK-UHFFFAOYSA-N	237.011	-0.824	50	10	BBGE	
CC[C@H]1CCN1c1ncc(F)cc1B(O)O	1988000203	PFCSKLJNFNSUAI-QMMMGPOBSA-N	224.044	-0.111	50	10	BBGE	
O=C(NCB(O)O)c1cccc2nc[nH]c12	1989796233	OXLACQHJQPALQA-UHFFFAOYSA-N	219.009	-0.695	50	10	BBGE	
O=C(O)C1=C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2Cl)C1	1991683623	VILAZXMBKOSJKW-HSNKUXOKSA-N	245.662	-0.126	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1991687682	WAJXNXCFEAYZFH-KVPKETBZSA-N	247.678	-0.092	50	10	BBGE	
CNC(=O)CC1CN(C(=O)/C=C/C(=O)Cl)C1	1991705797	JCIFPOQLFCZXKN-NSCUHMNNSA-N	244.678	-0.098	50	10	BBGE	
C[C@H](C(=O)NCC#CB(O)O)C1CCCC1	1992125947	VEFIYOWEGUJMEJ-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
C=C(CN1C[C@H](SC)[C@@H](N(C)C)C1)B(O)O	1992152558	GQJFVDKZPFOVDD-UWVGGRQHSA-N	244.169	-0.468	50	10	BBGE	
CC1(C)CC(=O)N1C[C@@H]1CC[C@@H](C(=O)NN)O1	1996581315	BKWCUKPCXLRYLF-YUMQZZPRSA-N	241.291	-0.465	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1996645354	ITUUXDPXTFZLRN-MRVPVSSYSA-N	234.064	-0.254	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)[C@@H]1C=CCCC1	1998136904	FYZCWQJVZKFWJV-SFYZADRCSA-N	241.052	-0.615	50	10	BBGE	
CO[C@@]1(CN(C)CCC(=O)NN)CCCOC1	2001494288	HXXOKRROLJTHDA-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@]2(CCOC2)C1	2002821501	AJJFUGYGNYTAIW-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCn1cncn1	2003834248	AOXNZAAGEIGYEX-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(n2ccnn2)C1	2003858723	NBJDELLGXLFZET-JGVFFNPUSA-N	238.295	-0.851	50	10	BBGE	
Cc1cnc(O[C@@H]2CCCOC2)c(B(O)O)c1	2004925511	RFWFUCUKFBPBOZ-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CC[C@H]3C2)n1	2005016563	RCLHSOZWYBXCLQ-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013677415	LYSKYZAAKCLJNJ-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@]12CCOC2	2019208529	GVECCPLKOAWOQZ-LLVKDONJSA-N	241.291	-0.591	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2[C@@H]3COC[C@H]2C3)C1	2021407394	JSTRDTUARUWQKG-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@@H](C1)C2	2021434356	LDCQQBUSYWUFQQ-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncccc3B(O)O)C[C@H]12	2025800715	MDHDNLHRJYCLOI-KXUCPTDWSA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)n1	2026818351	HVSIFGIMNRIWIG-ZDSIXYDOSA-N	249.100	-0.288	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1nc2ccccn2c1=O	2028049237	CCRROJVCDRKSHK-YUMQZZPRSA-N	247.258	-0.878	50	10	BBGE	
CN(Cc1ncccn1)c1ccc(B(O)O)cn1	2052468893	JZIILUBENGTNNX-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
CN(C)C[C@@H]1CCCN1c1ncccc1B(O)O	2052491054	IIVIWXHZPCAWOR-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCOc1ccc(OC)c(B(O)O)c1[N+](=O)[O-]	2060017062	NCKUWHCCRWHWLB-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
N#Cc1cc(B(O)O)cc([N+](=O)[O-])c1F	2060174323	FGCIEGKSLYHJHF-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
COc1cc(C#N)cc(B(O)O)c1C=O	2060188641	NBWGVXNPLRZMHI-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)cc1C#N	2060204842	KSNRFPVDZGUNPG-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(CC#N)C1	2066304562	MOXUYICSJKYSNS-UHFFFAOYSA-N	248.290	-0.631	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2072626152	XFZJQPMOEFZXDN-ZJUUUORDSA-N	249.318	-0.157	50	10	BBGE	
CO[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079012472	UNRRKBIFJZXETB-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
CC1(CF)CN(Cc2nscc2B(O)O)C1	2211136095	OWZKTTSEUAEBRX-UHFFFAOYSA-N	244.100	-0.386	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC12CN(C)C2	2212308610	NWDBPOQBRAIXAY-DTWKUNHWSA-N	226.324	-0.609	50	10	BBGE	
OB(O)c1cnc(N2CC=C(F)CC2)nc1	2212601467	OJLDQPIURWJRME-UHFFFAOYSA-N	223.016	-0.780	50	10	BBGE	
OB(O)c1ccc(N2N[C@H]3CC[C@H]2C3)nc1	2212602996	LMHLMUKVHUBWDS-IUCAKERBSA-N	219.053	-0.993	50	10	BBGE	
C#C[C@@](C)(CC)Nc1ccc(B(O)O)cn1	2212610562	KSNSSUNRQLXXDQ-NSHDSACASA-N	218.065	-0.025	50	10	BBGE	
Cc1cnc(O[C@H](CN)C(F)F)cc1B(O)O	2217168530	VDZPXHHGPMUZJU-SSDOTTSWSA-N	246.022	-0.959	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCCO1	2217175889	OQCGPRONAIBXIG-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
CC(C)C[C@@H](CO)Nc1ccc(B(O)O)cn1	2217180487	HXDLCXAJMOCSHY-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CON(c1cc(B(O)O)c(C)cn1)C1CCC1	2217183535	JAUCACUIRKLMKP-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
C[C@@H](Nc1nccc(B(O)O)c1F)C(C)(C)O	2217185369	WBEZZNMPNMACKJ-ZCFIWIBFSA-N	242.059	-0.528	50	10	BBGE	
NC1(COc2nccc(B(O)O)c2F)CCC1	2217188396	NQSCJTFEBFNIEH-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
N[C@H]1C[C@H](CCOc2cc(B(O)O)ccn2)C1	2217189541	FRJQOKYHQFYAIW-CZMCAQCFSA-N	236.080	-0.732	50	10	BBGE	
C=CCC[C@H](N)COc1cc(B(O)O)ccn1	2217191315	CEBHHNABWBTCQP-JTQLQIEISA-N	236.080	-0.566	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2COCC2(F)F)c1	2217194121	QQCHYTGOPNVJKI-ZETCQYMHSA-N	244.990	-0.826	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1Cc1cccc(B(O)O)c1	2220053613	IQLJRRUKDAHYBG-PWSUYJOCSA-N	249.119	-0.431	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ccnn1C	2223643752	ZVFPHSPVZBWVQU-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
C#C[C@@H]1CCCN(c2nccc(B(O)O)c2F)C1	2223644731	MYKUWWQSQKVFQC-SECBINFHSA-N	248.066	-0.250	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c1F	2223651513	XNTUIMBUNXHSEZ-OORONAJNSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@H]2C2CC2)c1	2223668669	ZPLXXVMTPHYQEN-CMPLNLGQSA-N	248.091	-0.889	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@H](C2)N1c1cc(B(O)O)ccn1	2223674186	NWDWQSAYJZWDIU-JMJZKYOTSA-N	248.091	-0.889	50	10	BBGE	
COC[C@H](O[C@H](C)C(F)F)C(=O)NN	2241797798	LIGNVPMNXRCUGJ-UHNVWZDZSA-N	212.196	-0.339	50	10	BBGE	
O=C(NC1CCCC1)c1ccc(B(O)O)o1	2243361710	FXVUIJNVGGJZQA-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
O=C(NCCC1CC1)c1csc(B(O)O)c1	2243362374	PXVAXXKOYDBUIU-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2243362716	VNDSAOAISGGSHY-UHFFFAOYSA-N	224.069	-0.435	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C(=O)C1(B(O)O)CC1	2243365964	VLFZJUHKGZPCFD-QZTNRIJFSA-N	247.125	-0.781	50	10	BBGE	
CCONC(=O)c1cc(F)ccc1B(O)O	2243367293	QMMVUHDETLKWIG-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
O=C(NCc1cnns1)[C@H]1C[C@H](B(O)O)C1	2243391661	MXUVFFUSJUWUKE-IZLXSQMJSA-N	241.081	-0.593	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](C2CC2)C1	2243401918	ZCUPXSRLVKUHJK-JTQLQIEISA-N	221.065	-0.350	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1cc(B(O)O)co1	2244212598	SBYXZLISFZBUPJ-CAHLUQPWSA-N	243.455	-0.684	50	10	BBGE	
O=C(O)/C=C\C(=O)N1CCC(B(O)O)CC1	2245261312	ZDNQPROXGVVKDF-UPHRSURJSA-N	227.025	-0.907	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC[C@H]2O)ncc1Cl	2245913562	UDVFJVRNIUDSHT-JGVFFNPUSA-N	242.471	-0.650	50	10	BBGE	
CN(C(=O)Nc1ncccc1B(O)O)C1CC1	2247201558	XPXHIWWYAIMRDQ-UHFFFAOYSA-N	235.052	-0.613	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCC[C@H]21	2247747848	TWYNFEDWWRTZLG-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
CC(C)[C@H](C)[C@@H](N)CNC(=O)C1(B(O)O)CC1	2247757357	QERHSQJEZLVWQD-IUCAKERBSA-N	242.128	-0.271	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(C)c(B(O)O)o1	2247791560	NNOZUZQXOWSHCT-UHFFFAOYSA-N	241.027	-0.177	50	10	BBGE	
COC1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247806906	GTWMVHGQLGCDIX-QLEHZGMVSA-N	241.096	-0.077	50	10	BBGE	
CN(C[C@@H]1CCCNC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247808870	MWNXHNMLVIMYFL-UTLUCORTSA-N	240.112	-0.693	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1c1ccco1	2247846891	OBEBLYDJPXKMSJ-VIFPVBQESA-N	233.032	-0.042	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ccoc1B(O)O	2247869868	ZQHAIXBYCWDAHE-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1coc(B(O)O)c1	2247871356	ABJPUCQQOZJQGZ-SECBINFHSA-N	235.048	-0.509	50	10	BBGE	
CC[C@H](CNC(=O)c1occc1B(O)O)OC	2247873763	GGLYDHJBZPNFSN-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCC2)c1	2247875356	WPFNJQNTNXRLTJ-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2247880331	ZGIXKJYGCDQMDF-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCN1CC=CCC1)[C@H]1C[C@@H]1B(O)O	2247893953	AQKFBYLECSVRBX-UWVGGRQHSA-N	238.096	-0.773	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1B(O)O	2247895520	AIMWEWGRFSXLIF-RKDXNWHRSA-N	235.052	-0.495	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N[C@@H]1C[C@H]1F	2247972835	SFOOYTBDURLHRU-RKDXNWHRSA-N	238.027	-0.402	50	10	BBGE	
Cc1coc(NC(=O)c2cc(B(O)O)co2)n1	2249417105	ASNJIAXZPIDIHW-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)co1	2249417968	NDUIJNCDKONVKJ-KOLCDFICSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCCOCC1	2250001065	RGFAESZKSXDVPQ-SNVBAGLBSA-N	239.080	-0.675	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(F)(F)C[C@@H]1CO	2250229008	XAKMPXIBUBHQLM-DSYKOEDSSA-N	249.022	-0.922	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ccoc1B(O)O	2250892921	WUSZVPREUQOBFW-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)C1(B(O)O)CCC1	2251067615	HNTRVZRWHKVXMB-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)cc2)C1	2251675068	RGPVJXGQZQEVBX-UHFFFAOYSA-N	231.060	-0.376	50	10	BBGE	
CNCCc1ccc(NC(=O)C#CB(O)O)cc1	2255459211	CNNBUKRHXFWLJV-UHFFFAOYSA-N	246.075	-0.598	50	10	BBGE	
N#Cc1ccc(C(=O)NCCC#CB(O)O)cn1	2258961809	YNOPMDKQOCMXCL-UHFFFAOYSA-N	243.031	-0.911	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCCO1	2298376839	RURRWCAZGUZYOW-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@@H]1B(O)O	2298377453	RTHWQQORZAKWPR-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
C=C(CN1C[C@@H]2OCC[C@@]2(COC)C1)B(O)O	2299763769	LZOFDBGIGKYJBX-QWRGUYRKSA-N	241.096	-0.708	50	10	BBGE	
CN(C)[C@@H]1C[C@H]2C[C@H]1CN2CCCC(=O)NN	2302402781	BKHIKWPJQNAWBD-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@@H]2CCO2)n1	2302411345	VXPFYDJUDKWSIH-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1nnc(CN2CC[C@](C)(B(O)O)C2)n1C	2303124333	QJMCZHXEUSFXRC-JTQLQIEISA-N	238.100	-0.438	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@@](C)(B(O)O)C2)C1=O	2303162493	UEFQTYZXNJRBBR-GXSJLCMTSA-N	240.112	-0.597	50	10	BBGE	
O=C(NC1CCOCC1)N1CC[C@@H](B(O)O)C1	2303164075	MYQFMOKQJYJLII-MRVPVSSYSA-N	242.084	-0.576	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@@H]1C(N)=O)C(=O)NN	2303424955	XHXFMEVIPVCVCL-KCJUWKMLSA-N	242.323	-0.658	50	10	BBGE	
CNC1CC(Oc2cc(B(O)O)c(F)cn2)C1	2303857051	AWUKNQPUFUYVQX-UHFFFAOYSA-N	240.043	-0.970	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC1CC(N)C1	2317161048	JZJMMPRNOQQJFE-UHFFFAOYSA-N	246.075	-0.646	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@H](O)C2)cc1B(O)O	2317306694	RUPDYAIZHJLKEL-KOLCDFICSA-N	249.075	-0.496	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317351528	JXDQJROLJLJGTE-PELKAZGASA-N	249.075	-0.232	50	10	BBGE	
O=c1n(CCCl)nc2n1CCOC2	34467487	HCWSCPRZVNQEPW-UHFFFAOYSA-N	203.629	-0.186	50	10	BBGE	
Cc1cccc(OCCNC(=O)C(=O)NN)c1	42898617	LIAPCDINJXIASB-UHFFFAOYSA-N	237.259	-0.520	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CCOCC1	82467968	UYXRZCVVTYQOOU-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2ccnc2C1	110583201	PPNGKMYODUOZDS-SECBINFHSA-N	237.307	-0.143	50	10	BBGE	
CC[C@@H](Oc1ccccc1C(N)=O)C(=O)NN	111890378	CZXGUSWTZPUAAY-MRVPVSSYSA-N	237.259	-0.067	50	10	BBGE	
Cn1ncnc1NS(=O)(=O)CCl	127656490	KSVWQKAXXQPSPW-UHFFFAOYSA-N	210.646	-0.247	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)CSC	130132646	OOXPSESKLMQVFV-ZCFIWIBFSA-N	220.294	-0.078	50	10	BBGE	
N#C[C@@H](Cl)CN1CCO[C@H](CO)C1	132557517	JMOLDLKMXIJUSX-SFYZADRCSA-N	204.657	-0.190	50	10	BBGE	
Cc1ccc(OCCN(C)C)c(B(O)O)c1	197958104	XRHNYCWLIHPMLB-UHFFFAOYSA-N	223.081	-0.385	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H](N)C2)cs1	203225916	FZUDMFKTOLOPRB-ZCFIWIBFSA-N	241.320	-0.720	50	10	BBGE	
COC[C@@H](O)CCNS(=O)(=O)CCCl	230188733	YJKRGIIOWYPXAF-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(C)c([N+](=O)[O-])n1	232421101	IJCSCUAVQKPVEY-ZCFIWIBFSA-N	243.223	-0.723	50	10	BBGE	
Cc1ncc(C(=O)NNC(N)=O)s1	235817605	DPZZYLRGOZXHJW-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
COc1cc(O)c(CC(=O)NN)cc1O	238390915	REHAREVNCCGHCE-UHFFFAOYSA-N	212.205	-0.361	50	10	BBGE	
C[C@@H]1CN2CCC[C@@H]2CN1[C@H](C)C(=O)NN	251565605	BUQWBZOYHIHLQS-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
CNCc1ccc2c(c1)CC(=O)N2C(=O)NN	258796694	QWTSKMGMRMSHSA-UHFFFAOYSA-N	234.259	-0.122	50	10	BBGE	
O=C1OC[C@@H]2[C@H](O)[C@H](Br)[C@H]12	306459723	BKABFSAMXLGLMU-RSJOWCBRSA-N	207.023	-0.086	50	10	BBGE	
CC1(O)CN(CC(C)(C)C(=O)NN)C1	306834782	RVGBBRBTWWBVKJ-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CCOC(=O)C[C@@H](Cl)[C@H](N)C(=O)NO	308488180	OHARTBBRCGNTSP-XINAWCOVSA-N	224.644	-0.620	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cc(C#N)cn1	309069066	BAJLWBJEMATJNQ-QMMMGPOBSA-N	207.237	-0.058	50	10	BBGE	
CC1(C)Oc2cc3c(c(B(O)O)c2O1)OCO3	310291506	KQPVZBHQVHBTNU-UHFFFAOYSA-N	238.004	-0.398	50	10	BBGE	
CC(=O)NNC(=O)/C(C#N)=C1/CCCN1	384195490	WBKRKYZOFSOMDK-FPLPWBNLSA-N	208.221	-0.685	50	10	BBGE	
C[C@@H](O)[C@@H](C)NS(=O)(=O)CCCl	387200524	XGEQSQVLIOQZRR-PHDIDXHHSA-N	215.702	-0.086	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCCC1(F)F	390961726	NTJZWBRPFVWVNG-LURJTMIESA-N	235.234	-0.082	50	10	BBGE	
Cn1nnnc1SCCC(C)(C)C(=O)NN	395601536	CGAMDIWUKSFYHX-UHFFFAOYSA-N	244.324	-0.292	50	10	BBGE	
N#Cc1c(CO)sc2cc(B(O)O)ccc12	396215071	FRZIHDKXQAEMCK-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1ccc2c(B(O)O)csc2c1O	396346406	RASZSKRGDUAOGH-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	398467499	CPBXSMBBDKNDFO-HRDYMLBCSA-N	242.323	-0.931	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H](O)CC[C@H]2C1	398878375	WPIJSGJOPKJIEE-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(C2CC2)CCN1CCCC(=O)NN	402781769	NYOJANHGUDMAHS-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnsn1	405060427	PBGOMAHGYPDIAP-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)c1nc[nH]n1	495280733	DKQPLSSFGTWBGY-UHFFFAOYSA-N	227.224	-0.026	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H](C)[C@@H]1O	688121922	JXMIDXQLNCNNBM-RGOKHQFPSA-N	229.324	-0.439	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H](C)C1O	688122447	QKACTRXLFUKHDQ-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CN(Cc2nc(C(=O)NN)co2)C(=O)O1	688542256	FMRYYKRRVZQQNN-RXMQYKEDSA-N	240.219	-0.381	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](C)[C@@](C)(CO)C1	694662617	SARNPMAJLUMRER-FYLLDIAZSA-N	243.351	-0.049	50	10	BBGE	
CC(C)[C@@H]1C[C@H](N(C)CC(=O)NN)CO1	700922363	PGOUHTSIVNEUDH-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@]2(C)C1	702397006	HDYCPBOBHFQWNP-FXPVBKGRSA-N	226.324	-0.752	50	10	BBGE	
CCOC[C@H]1CCCN1[C@H](C)C(=O)NN	702799028	YHJHAZHDVALLNP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCCC2(F)F)n1	703707551	LJHLZEUYUVBWHF-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)N	704635278	LXBWCALJMTZHJF-MRVPVSSYSA-N	249.336	-0.477	50	10	BBGE	
CCOC[C@@H]1CN([C@H](C)CC(=O)NN)CCO1	706700023	JUUKROPMTJSTQE-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H](COC)C1	706718400	YVCSONFQPFZFNK-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(=O)NCC1C2(CC2)C12CC2	716571853	COUJAHBPUPWBKL-UHFFFAOYSA-N	209.249	-0.717	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)COC2CC2)c1	716964432	OFLOOCLRMCFVPC-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@H]3C2)cc1	718184678	PFWAUNKZIPTYHU-TXEJJXNPSA-N	247.103	-0.555	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C	723698247	WZIAOGQSMUDKLU-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
C/C=C\CNC(=O)NNC(=O)c1cnn(C)c1	858889115	YNJIIZYNLZGBCW-ARJAWSKDSA-N	237.263	-0.060	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@H]1C(N)=O)c1ccccn1	913000014	BNNWYSXUMMXQGF-JGVFFNPUSA-N	234.259	-0.330	50	10	BBGE	
CON1CCC(C(=O)NN(C)C[C@H](C)O)CC1	1119645203	QTTAXSBWKNTOIJ-VIFPVBQESA-N	245.323	-0.396	50	10	BBGE	
Cc1nnc(NNC(=O)CCF)n1C	1119659013	JBKPRCYATVLFHB-UHFFFAOYSA-N	201.205	-0.074	50	10	BBGE	
CONC(=O)CNC(=O)NNc1ccccc1	1255995565	XDWOVPSGEKHWND-UHFFFAOYSA-N	238.247	-0.010	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1ccccn1	1435100161	FOCMFKDENWTQNE-PSASIEDQSA-N	244.254	-0.069	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cc[nH]n2)n[nH]1	1469427787	AQMJMEVHHSXVSE-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
CC[C@](C)(C#N)C(=O)NNC(=O)c1ncon1	1536937047	APIXEJJSPXACMJ-SECBINFHSA-N	237.219	-0.230	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)c1ncon1	1558630731	PDYHYEAWCBSYCT-YFKPBYRVSA-N	223.192	-0.620	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@@H]1CCCCO1	1628547779	KXPHRPVULUABQP-ZETCQYMHSA-N	229.236	-0.665	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@H]2CCNC2=O)nc1	1634220528	BJQADAUDMFARGP-MRVPVSSYSA-N	245.242	-0.468	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccnnc2)nc1O	1638093755	PWKYAJQZBCRGKL-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1	1638526351	KVXIPOJHZLKFRG-SFYZADRCSA-N	230.264	-0.669	50	10	BBGE	
N#CCNC(=O)CNC1CC(Cl)C1	1881718527	HHAHXLKQLIKTCY-UHFFFAOYSA-N	201.657	-0.014	50	10	BBGE	
CON(C(=O)[C@H]1C[C@H]1Cl)C1CNC1	1883645145	MCFUDECQLSYWHU-NKWVEPMBSA-N	204.657	-0.025	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](O)[C@H]1C[C@H]1Cl	1883645909	TUTDVCVRKMJTKN-XVMARJQXSA-N	227.713	-0.134	50	10	BBGE	
O=C(O)c1cc(F)c(F)cc1B(O)O	1888377738	XIMDOVBHWYKTAF-UHFFFAOYSA-N	201.921	-0.657	50	10	BBGE	
CN(NC(=O)CCCCN)S(C)(=O)=O	1888606292	XLFHOQQRNAXAEO-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
O=C(NNCCO)C12CC(CCO1)C2	1892834410	LBWQILZMPOYRIJ-UHFFFAOYSA-N	200.238	-0.831	50	10	BBGE	
CNC[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1Cl	1893453461	NDLZNYXDHQZHMW-BIIVOSGPSA-N	220.700	-0.348	50	10	BBGE	
CN1CC[C@@H]2OCCN(C[C@H](O)CCl)[C@@H]2C1	1896216158	STKOXQZIQYRDSA-MXWKQRLJSA-N	248.754	-0.009	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(N)CC1(C)C	1901338761	BZBPQKVOFWJJPI-SECBINFHSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)[C@@H]1CC(C)(C)CN1)S(C)(=O)=O	1901377076	JVTLRUADHSKAOH-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CNC(=O)O2)C1	1902518918	ZEWXIOUCHRCQQO-IONNQARKSA-N	228.057	-0.966	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1nscc1B(O)O	1904899597	CCMIATOTZHAPNY-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
CO[C@@H]1[C@@H](N2CC(=O)OC(=O)C2)COC1(C)C	1910463707	HUKLNTDCBXUZKV-OIBJUYFYSA-N	243.259	-0.436	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1CC(O)C1	1914573509	IXUSEWPBZORGSQ-AMDVSUOASA-N	215.297	-0.400	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C(=O)NC(=O)[C@H](C)Cl	1916837445	FTPDVVLPDSHQIY-WDSKDSINSA-N	249.698	-0.084	50	10	BBGE	
CCCc1c(C(=O)NNC(N)=O)nnn1CC	1923549830	DFXLRBTWEOHACQ-UHFFFAOYSA-N	240.267	-0.436	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCOCC1	1927914648	WPJSUWFECUDGHG-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](F)[C@H](F)C1	1927917225	VCUIRXLJAOAMMY-FKSUSPILSA-N	219.235	-0.396	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CC1)C(F)(F)F	1928595840	PUKNPCCJACRQEP-SCSAIBSYSA-N	225.170	-0.567	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]1CO	1929740618	KMQWQIJEISPTLW-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]2[C@H](C1)C2(F)F	1931858296	POJHTDGQENYHNU-UHNVWZDZSA-N	219.191	-0.910	50	10	BBGE	
CS(=O)(=O)[C@H]1CCCC[C@H]1NC(=O)NN	1932477047	CLTRDRZIHGIMEU-RQJHMYQMSA-N	235.309	-0.485	50	10	BBGE	
C[C@@]1(CO)CCN1CCCC(=O)NN	1932966472	CVBANXRTXGHYSK-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@@H]1C[C@@H]1C(=O)NN	1936094862	QRILQAHGEUWLQW-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCCC[C@H]21	1936500199	MJHBTCUCBUNQCJ-XHNCKOQMSA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)CCN1CCN2CCCC[C@H]1C2	1939265383	ZSINOMKGXRPBAZ-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
CC[C@H](CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	1939290749	HFBZZDJNHGVRSP-CIUDSAMLSA-N	227.260	-0.079	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCCC[C@H]1OCC2	1944195109	PGOYTWLOBUOLFD-KCJUWKMLSA-N	241.291	-0.558	50	10	BBGE	
CC1(C)[C@H]([C@H](N)[C@H](O)C#N)CCS1(=O)=O	1953053482	WAHLKUHNTSCRPS-RNJXMRFFSA-N	232.305	-0.589	50	10	BBGE	
CN(CCC(N)=O)C[C@@H](O)CBr	1953617245	GQFRVNLYNGUXHY-LURJTMIESA-N	239.113	-0.451	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CC1(F)F	1955224625	YUOQAOMYNGOFRH-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550547	XCWDVOHOUIVHMQ-YMVPXFTJSA-N	219.668	-0.434	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(O)(C(N)=O)C1	1955571328	GVPXLPAZRZHKQZ-RXMQYKEDSA-N	220.656	-0.938	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(C)CC1	1956701906	ACGYSSUXSNKLBK-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCOCC(N)=O	1957308397	VXIFJQLYLFYQKB-ZCFIWIBFSA-N	222.672	-0.378	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1960706784	QGBGTDLHXGRLRS-VTBDLZGYSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	1961483605	VFWIGCUXDOYAFY-YUMQZZPRSA-N	215.253	-0.551	50	10	BBGE	
CN(C)C[C@@H]1CCN1CCCCC(=O)NN	1976931913	GFTASOZMVBNHSR-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1978185464	TWXFRNBOQFQVJW-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
CC[C@]12C[C@@H]1CN(CCOCC(=O)NN)C2	1979832794	AAZPGVLEFPVVAC-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)CCN1CCS[C@@H]2COCC[C@H]21	1980828147	LEANSZAEDGNVFB-RKDXNWHRSA-N	245.348	-0.427	50	10	BBGE	
C[C@@H](N(C)C(=O)C(=O)NN)[C@@]1(C)CC1(F)F	1981465375	WBYLQIBHCFCZFP-SVGQVSJJSA-N	235.234	-0.132	50	10	BBGE	
C[C@H]1C[C@H]1N(C)Cc1nsc(C(=O)NN)n1	1981535541	JFXJJMOJPGRVFO-NTSWFWBYSA-N	241.320	-0.018	50	10	BBGE	
CCN(CC)CCOC[C@H]1C[C@H]1C(=O)NN	1982847932	FOPZXROHYQDKLU-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCCO[C@H]21	1983239834	WBHZKYCJTPUKHD-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H](CO)C1	1984128154	KVBLPBXLGXJVNE-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
O=C(CCCCl)N1CC2(C1)OC[C@@H](O)[C@@H]2O	1986229860	CFGUOJXMHQKXOW-APPZFPTMSA-N	249.694	-0.662	50	10	BBGE	
OB(O)c1csc(-n2ccnc2C(F)F)n1	1986816154	OVCYBCQDQJEKDS-UHFFFAOYSA-N	245.019	-0.054	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(N)ccc1F	1989371116	JHBSEQQREHRDJH-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
C=C(CN1CC[C@H](c2nncs2)C1)B(O)O	1992144616	CHELTBOCYLZJKL-QMMMGPOBSA-N	239.109	-0.104	50	10	BBGE	
C=C(CN1C[C@H]2C[C@H]1CN2C(C)C)B(O)O	1992167608	NJRYLAGHSLASAM-WDEREUQCSA-N	224.113	-0.279	50	10	BBGE	
C=C(CN1Cc2cnc(C)nc2C1)B(O)O	1994943431	DPLOGYVZARQWKP-UHFFFAOYSA-N	219.053	-0.331	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CN2CC[C@H]1C2	1996690877	RERWBLRMVBIDNZ-JLIMGVALSA-N	236.271	-0.393	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1c1noc(C)n1	1997766791	RUUDHEOJPOXCNT-HTQZYQBOSA-N	239.279	-0.107	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN[C@H](C)C[C@@H]1C	2000483625	AKVZMAMFDJTDNE-BDAKNGLRSA-N	242.323	-0.774	50	10	BBGE	
CO[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)C[C@H]1OC	2004905835	BFEVXSMDCYHJPP-AYMMMOKOSA-N	243.259	-0.436	50	10	BBGE	
C[C@H]1CCC[C@@H]1N(C)c1ncncc1B(O)O	2004911466	HLYSJGONFOFRTE-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@@H]3C2)nc1	2004912723	XJAZCYABJSLBSJ-RKDXNWHRSA-N	233.080	-0.607	50	10	BBGE	
OB(O)c1cccnc1N1CC(C2CCC2)C1	2004928586	FFYZVAAIHYLOFG-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)CC1	2005806027	IQTQSFFQHZAXIV-BZNPZCIMSA-N	235.287	-0.377	50	10	BBGE	
CN(C)CCOCc1ccc(C(=O)NN)cn1	2007005829	XAAZPTQLUMKLDT-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)CC(C)(C)C(=O)NN	2007574082	OIWBLPANWVULSA-OPRDCNLKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=CC[C@@H]1CO	2008869759	FQRAVRTVGXTSQM-MRVPVSSYSA-N	249.261	-0.376	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@H](N(C)C)C1	2019208634	IXXDXPGDAOLOJU-WCBMZHEXSA-N	242.323	-0.964	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C[C@H]1C[C@@H]1C(=O)NN	2019606196	IUGPETIVOYWBBR-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
Cn1ccc(C(=O)N[C@H]2CCC=C2B(O)O)n1	2020063636	YDZPRTFHHGIDPZ-QMMMGPOBSA-N	235.052	-0.749	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC2CC(C2)C1	2050240946	CVDATPPXDMZZEA-UHFFFAOYSA-N	249.318	-0.135	50	10	BBGE	
Cc1cn(Cc2c(C(=O)NN)cnn2C)c(C)n1	2050247594	WWYYAAFOLBHHDN-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(CCO3)C2)nc1	2051856914	SSBABBGSQJHEEN-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(C3CC3)C2)n1	2052624456	RVJGTDUSPHEGCT-UHFFFAOYSA-N	247.107	-0.381	50	10	BBGE	
O=Cc1c(B(O)O)cc(F)cc1[N+](=O)[O-]	2060054052	OESVTONYHAHTMO-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1c(C)cc(B(O)O)cc1C#N	2060203462	DAJSEAKKGBRVCI-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1nc(N2[C@H]3CCC[C@H]2C3)ncc1B(O)O	2077829332	NKZVZMRKQTYKAT-YUMQZZPRSA-N	249.079	-0.704	50	10	BBGE	
CO[C@H](C)CN(C)Cc1ccc(B(O)O)s1	2211080196	YRGWACPDCFVUSE-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
C#C[C@H]1CCN1Cc1cccc(B(O)O)c1	2211132326	LGCBYKDZUJPZLT-LBPRGKRZSA-N	215.061	-0.426	50	10	BBGE	
OB(O)c1csnc1CN1CC2(CCC2)C1	2211140041	KXWBEOGIPZLERF-UHFFFAOYSA-N	238.121	-0.191	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC12CN(C)C2	2212305709	JSMQWQBHPCEFBN-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@H]3CC[C@H]23)c1	2212614917	IFTISYFVEHXNOO-IUCAKERBSA-N	218.065	-0.171	50	10	BBGE	
CC[C@]1(O)CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215773427	SNVDQDZNNLVOPD-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)N(C)C[C@@H]1C	2216199696	PGRWINJCIJYTBT-KXUCPTDWSA-N	244.339	-0.984	50	10	BBGE	
CC(C)NCCCNc1ncccc1B(O)O	2217175547	KJDCBJSLQXYAMO-UHFFFAOYSA-N	237.112	-0.439	50	10	BBGE	
N#CC[C@@H]1CCN(c2ncccc2B(O)O)C1	2217178914	CGCLPWUQWXTYFP-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
C#C[C@@H](Nc1ncc(B(O)O)cn1)C1CCC1	2217180732	VNHHPKKTDCZWRW-SNVBAGLBSA-N	231.064	-0.630	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H]2CO)cc1B(O)O	2217184379	RZCFCJOUCUKXIY-SCZZXKLOSA-N	236.080	-0.747	50	10	BBGE	
CC(C)C1CC(n2cc(B(O)O)cnc2=O)C1	2217408127	BLIIAKJEDHKETH-UHFFFAOYSA-N	236.080	-0.470	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCCCC1CC1	2217410309	DGXBSOMXOJXFJT-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2223634143	GVJRGPWSFISCJT-WKTZZZGZSA-N	244.103	-0.148	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)CC1	2223649554	ATLLEOQBKKQHBE-WDEREUQCSA-N	249.123	-0.167	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ncccc2B(O)O)CCN1	2223675428	RAZHJNISYAFSDM-VHSXEESVSA-N	249.123	-0.662	50	10	BBGE	
NNC(=O)C(=O)NCCCSC(F)F	2241227736	KUCHNRAOMDSEEW-UHFFFAOYSA-N	227.236	-0.562	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1COC1	2241661907	LNHYZCKXAPDEJD-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
C=C(Cl)COc1nc(OC)ccc1B(O)O	2243092718	ACOQYDFIJOEXLE-UHFFFAOYSA-N	243.455	-0.099	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1CCC1	2243346756	CBCQXSLQWMBPTA-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CN(C(=O)c1nscc1B(O)O)C(C)(C)C	2243347865	RESVRAMQFYZXSK-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1nscc1B(O)O	2243348298	WSEMOWYUYSMWTK-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
Cc1ncnc(C)c1NC(=O)C#CB(O)O	2243361977	KDMKIKXSJQXFTQ-UHFFFAOYSA-N	219.009	-0.953	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)C1(B(O)O)CC1	2243363725	LBNKKRZGJRTLMZ-SECBINFHSA-N	229.085	-0.339	50	10	BBGE	
Cc1csc(C(=O)N[C@H]2C[C@@H]2F)c1B(O)O	2243378614	WNEVPCDAHGSGEF-WDSKDSINSA-N	243.068	-0.423	50	10	BBGE	
O=C(N=c1cccn[nH]1)[C@H]1C[C@@H](B(O)O)C1	2243383249	WKGWWEPJPMONGT-KNVOCYPGSA-N	221.025	-0.910	50	10	BBGE	
CN(C)C1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392270	SNLSVPHKVYDSRH-PEBLOWIWSA-N	226.085	-0.942	50	10	BBGE	
CCOCCN(C)C(=O)C1CC(B(O)O)C1	2243395803	BYIBZISBMQVBGA-UHFFFAOYSA-N	229.085	-0.266	50	10	BBGE	
Cc1ccccc1CNC(=O)C#CB(O)O	2243400430	ATQKSAJNPNGKFE-UHFFFAOYSA-N	217.033	-0.373	50	10	BBGE	
CC(C)(C)ONC(=O)c1cscc1B(O)O	2243411534	VNTSLILGXJTGIG-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
C[C@@H](CN(C)C(=O)C1(B(O)O)CC1)C(=O)O	2243753419	UWIYOZRYSAFHJD-LURJTMIESA-N	229.041	-0.828	50	10	BBGE	
OB(O)C1CCN(CC2[C@@H]3COC[C@@H]23)CC1	2244179397	AXEQROSIFAXBSB-QWRGUYRKSA-N	225.097	-0.182	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H](C)C(F)F)n1	2244240156	SDOCHRNCCMZAAH-BYPYZUCNSA-N	231.995	-0.503	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccc(B(O)O)o1	2247738500	RETPTSIDPLDBMZ-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]([C@@H]2CCCO2)C1	2247739241	ZHPKLERSBWALAQ-UWVGGRQHSA-N	237.064	-0.971	50	10	BBGE	
COC[C@@H](CCNC(=O)C#CB(O)O)C(C)C	2247740078	FTSWSFNTGDBYLS-SNVBAGLBSA-N	241.096	-0.573	50	10	BBGE	
C[C@]12CCCN(C(=O)C#CB(O)O)[C@@H]1COC2	2247741170	VVIHQWMMSIPCER-MWLCHTKSSA-N	237.064	-0.971	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1cc(B(O)O)c[nH]1	2247747135	JKAFCQDPFLHVLC-UHFFFAOYSA-N	236.080	-0.267	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N(O)C(C)C	2247752893	XPSPUTAONFNPCU-UHFFFAOYSA-N	240.068	-0.572	50	10	BBGE	
CNCCC[C@H](C)NC(=O)C1(B(O)O)CCC1	2247754837	FYUGDPXVMHCIEP-VIFPVBQESA-N	242.128	-0.112	50	10	BBGE	
C=CCCCNC(=O)c1cncc(B(O)O)c1	2247770440	FWJLSSHYPZDXAV-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CCC[C@@H](C)CNC(=O)c1cc(B(O)O)n[nH]1	2247783240	BJSRWFJKALGBDT-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785099	FWQWQICCNZADOD-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
CC(C)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247798128	QIJYZPIGNRTTRK-UTLUCORTSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247805770	CMGZEIGZONTBEO-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCO[C@H]1CNC(=O)C1CC(B(O)O)C1	2247806188	MRUFJNMHKNYEBU-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
CC1(O)CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247806382	FKRDEJUUYVTUQL-VCZAYRLQSA-N	241.096	-0.341	50	10	BBGE	
CN(C[C@H]1CCCN1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247808379	URBHOHPAHONCFB-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1cc(B(O)O)c[nH]1	2247850266	MDOVXDXZRCJJPP-SFYZADRCSA-N	236.080	-0.435	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CO	2247854288	AIWXTYKXNHMHMW-DTORHVGOSA-N	243.112	-0.141	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CC[C@H]1O	2247855664	WDQJMBLCLPPNAJ-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)c1	2247873207	GSLZEIJXVHFBMG-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
COC(=O)C[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247877233	DRJBOHXCIBQPNP-SSDOTTSWSA-N	243.068	-0.549	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878289	MYUNSFMBZFSFKN-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]2C[C@H]21	2247887761	RKJAZZNWQRVKHR-ZYUZMQFOSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893127	MRUFJNMHKNYEBU-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247898300	CCDDGWJVWDDZER-KGDYZURWSA-N	241.096	-0.079	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1N	2247899957	RTJHAPDYLFTZBI-HLTSFMKQSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2248585238	IIEFUEUKNQXRCK-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248585368	KEGDBFBGTWJRIY-XLPZGREQSA-N	243.068	-0.535	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586450	AZWVMDSDKNGVJG-BYULHYEWSA-N	241.052	-0.685	50	10	BBGE	
CCOCCN(C)C(=O)c1cc(B(O)O)co1	2249416388	QXWPTLNSLHLBQS-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC2CC1C2	2255501734	DBSXMOCBXPYMGU-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1C[C@H]2C[C@H]2C1	2255504391	QNQYBFDXLTYIQJ-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1n[nH]cc1B(O)O	2255553419	YTPNXOSFFSENLW-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
Cc1cnc(C(=O)NC[C@@H]2C[C@H]2C)c(B(O)O)c1	2255557090	ZKTPYWFFJBUYNM-BDAKNGLRSA-N	248.091	-0.544	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2255672636	JXUPQWAPFULWEE-MRQALGCZSA-N	246.075	-0.825	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(F)cc1B(O)O	2255747738	QCQDFAYHTXVSQT-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256018070	WLROXIKAVPEMRD-MRVPVSSYSA-N	249.075	-0.234	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1nccnc1B(O)O	2256052019	IQEQFQYNXKNCAL-YUMQZZPRSA-N	249.079	-0.925	50	10	BBGE	
O=C(NCc1c[nH]nc1C1CC1)[C@@H]1C[C@H]1B(O)O	2257181630	IWZWJMWEVHPNRI-RKDXNWHRSA-N	249.079	-0.234	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)CC[C@H]1O	2298166239	CHUMLDDJGSLQDS-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@@H]3C[C@H]2CO3)c1	2298318968	FXRLJSAWJCNCIJ-ATZCPNFKSA-N	236.080	-0.622	50	10	BBGE	
CN1CCC[C@@]1(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298370209	RPFIDRXSYOBBRE-KKZNHRDASA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377147	GJJBVGJBNMASCX-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
C#C[C@@H](CC)Oc1ccc(C=O)c(B(O)O)c1	2301420281	CNLOJKHYAJEZNS-JTQLQIEISA-N	232.044	-0.031	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cn2)nc1C	2302865256	HDUOLQZMZQZECL-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2noc(C3CC3)n2)C1	2303099466	OHHVSVZGRFHADG-MRVPVSSYSA-N	237.068	-0.004	50	10	BBGE	
COCCCCCN(C)[C@H](COC)C(=O)NN	2303262724	DMWRFIRWLKCOBW-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
COCCCCCCN(C)C(=O)C#CB(O)O	2303276905	CJTFMRORNVHZCR-UHFFFAOYSA-N	241.096	-0.333	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2[C@H](CO)[C@@H]2C1)C(=O)NN	2303426971	UAOVOZLUWKIIFH-WYFGTUCQSA-N	241.335	-0.437	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)n[nH]1	2312849828	XOVPIEGFHAAPRO-FXQIFTODSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317160351	CKDPFTQLOGCZCZ-KWQFWETISA-N	245.091	-0.600	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@H]1N	2317168786	YRAFTSFJBDVRER-ZYHUDNBSSA-N	245.091	-0.470	50	10	BBGE	
CCCCNC(=O)C(C#N)=CNCC(=O)O	2324637339	COGANRCUUFVCON-UHFFFAOYSA-N	225.248	-0.016	50	10	BBGE	
N#CCCN(C(=O)C(=O)NN)c1ccccc1	58848823	QCOKQMLFFAQCSA-UHFFFAOYSA-N	232.243	-0.077	50	10	BBGE	
CC(C)N(CCO)[C@H](C)CC(=O)NN	58856547	XRCPLQPKBJNRDB-MRVPVSSYSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CN(CCC#N)CCC#N)C(=O)NN	58863276	KNOCEJOYYXVYDD-SECBINFHSA-N	223.280	-0.258	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1C	66654648	XBVIAFBDPLFUKO-NKWVEPMBSA-N	200.238	-0.174	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1cncn1	82468484	SBHOEGKPTJXQBX-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
CCCc1cc(=O)[nH]c(SCC(=O)NN)n1	82471932	XWPQWFOGAKHKGD-UHFFFAOYSA-N	242.304	-0.196	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)CCCl	82475714	HGLGEBSMHNTIPN-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1n[nH]c(=O)n1C	86314011	YRDNWEXMURVOEZ-RFZPGFLSSA-N	245.308	-0.785	50	10	BBGE	
C[C@H](CC(=O)NN)n1nnc(-c2ccco2)n1	104117139	PJSZBHRTVHLUPZ-ZCFIWIBFSA-N	236.235	-0.126	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@@H](N)C2)on1	104118515	GLNDHHZTJMLFLG-SSDOTTSWSA-N	239.279	-0.799	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H](C(N)=O)C1	110568772	POZRNAIGYFRKBO-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)CCO1	110569822	CFVGTCLRENNQKG-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
COCCOCCOCCCCC(=O)NN	125985132	WFIZJMAUQCCRAA-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
CN(C)NC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O	129105774	VRZFDWXAEZEVGS-SSDOTTSWSA-N	241.251	-0.819	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](CO)C1	166152576	RMHXJPJBPGSPMF-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COc1ccc(B(O)O)cc1CN(C)C1CC1	199012656	FGWJOPRYURBKKZ-UHFFFAOYSA-N	235.092	-0.031	50	10	BBGE	
CCCCNC(=O)c1ccccc1B(O)O	206432292	RBKQULBKIQRMQQ-UHFFFAOYSA-N	221.065	-0.104	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H](N)C1	211988536	YUUBMGGCSILIEN-IUCAKERBSA-N	214.313	-0.432	50	10	BBGE	
C[C@H](O)CCN(C)CCCC(=O)NN	220009114	XTZPYMMYTBGZJX-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CC(C)OCCCCNC(=O)C(=O)NN	225397826	IUWOIEQYKLJKQK-UHFFFAOYSA-N	217.269	-0.702	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](OC)C1	233294070	JGZUALQLLMXKQG-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COC[C@@H](Sc1ncco1)C(=O)NN	234709318	ZMBIXPDYMWGFBR-RXMQYKEDSA-N	217.250	-0.228	50	10	BBGE	
NNC(=O)c1cccc(CN2CCCNCC2)n1	236227710	HVYBBILVDCAZLQ-UHFFFAOYSA-N	249.318	-0.520	50	10	BBGE	
CC[C@H](C)[C@@H](N)C(=O)N(CC)CB(O)O	238294735	IBTVIBUTSRESOI-JGVFFNPUSA-N	216.090	-0.780	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@@H]1COC(=O)N1	294070653	HAYQBFVLGXVIJO-LURJTMIESA-N	227.220	-0.958	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@](C)(O)C1	300032710	QRFMOBHZXMFTAI-XKSSXDPKSA-N	215.297	-0.542	50	10	BBGE	
CO[C@H]1CCN(C[C@H](C)C(=O)NN)C1	300046476	VWKZNRWNFHHWPG-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CNC(=O)C1CN(C[C@H](Cl)C#N)C1	306532253	BNAUPEKLQMHWSI-SSDOTTSWSA-N	201.657	-0.205	50	10	BBGE	
CC(=O)NN=C1CCS(=O)(=O)CC1	307703037	VADKFFUYGUXNQT-UHFFFAOYSA-N	204.251	-0.313	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)C(F)(F)F	307730794	IUAZNNPAKJSDPP-REOHCLBHSA-N	200.116	-0.923	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CNC[C@@H]1C	309657132	WHIQAQHUSABQHY-NKWVEPMBSA-N	215.253	-0.381	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCCOCC1	313764288	ZLSFHJPZNXCPPP-UHFFFAOYSA-N	249.119	-0.103	50	10	BBGE	
CCOCCCN(C)CCC(=O)NN	382827703	AOKIRFWOUNCPPY-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
C[C@H](CN1C[C@@H]2C(N(C)C)[C@H]2C1)C(=O)NN	384733080	KBZKFUWIJCLMJZ-VGMNWLOBSA-N	226.324	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](O)[C@H]1C	395100856	MDKBYTAFZLUOMI-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1C#N	396107280	YDUHNMHMMYWWRS-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
OCc1cc(O)c(B(O)O)c2sccc12	396335930	FATLPLJZXABPML-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC(C)[S@@](=O)NCc1cc(B(O)O)cs1	404952230	WGDMEFYFIZZWNT-OAHLLOKOSA-N	247.150	-0.410	50	10	BBGE	
CC(C)C(=O)NCc1sccc1B(O)O	405066787	WCZDQDMHTRIJHJ-UHFFFAOYSA-N	227.094	-0.300	50	10	BBGE	
O=C(CCl)N1CCO[C@@]2(CCNC2)C1	642885425	JKEZNNUIVLCGQD-SECBINFHSA-N	218.684	-0.184	50	10	BBGE	
CN1CC(=O)N(CCOCCCl)C(=O)C1	688115000	JKQNTSOBEVHASP-UHFFFAOYSA-N	234.683	-0.458	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCCCO2)c1	694488135	RDYNNLWSAYEHBE-VIFPVBQESA-N	210.042	-0.868	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1CC12CC2	705175133	WLSLWIJTKVOWOE-MRVPVSSYSA-N	232.048	-0.500	50	10	BBGE	
CSC[C@@H]1CCN(CC(=O)NN)C1	706633795	OCFATIAZOVHBGD-SSDOTTSWSA-N	203.311	-0.339	50	10	BBGE	
CN(Cc1nnn(C)n1)[C@@H]1COC[C@@H]1Cl	709158253	HHJRCFWOYBARPT-NKWVEPMBSA-N	231.687	-0.352	50	10	BBGE	
CN(CC(N)=O)Cc1cc(C(=O)NN)cs1	711160269	DQLNIMNMHOZGLP-UHFFFAOYSA-N	242.304	-0.731	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCC3(CCC3)O2)n1	712419434	UWGSPMRBIZQMNW-VIFPVBQESA-N	236.080	-0.335	50	10	BBGE	
C[n+]1[nH]cnc1N[S@@+]([O])(=O)CCCl	725555391	YCTGBSORVSJHIX-CYBMUJFWSA-O	225.681	-0.355	50	10	BBGE	
O=C(CO)NNC(=O)Cc1ccccc1O	777782885	VBGJVQPTJXVXBM-UHFFFAOYSA-N	224.216	-0.926	50	10	BBGE	
C[C@@H](CN)CC(=O)N1CCC(O)(C#N)CC1	821980431	FXPIRQUAXIGVHM-SECBINFHSA-N	225.292	-0.152	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2c(n1)OCCO2	847283052	IVUWEIQAFYYRID-UHFFFAOYSA-N	237.215	-0.366	50	10	BBGE	
C[C@H]1CCN(CC(=O)NNC(=O)NC2CC2)C1	847391402	XWOHCZMCMHOFBK-QMMMGPOBSA-N	240.307	-0.179	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@@H](C)[C@@H]1C	1118228735	UHJHDAHVUATQDY-WDSKDSINSA-N	214.221	-0.314	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNC(=O)c1ccc[nH]1	1135658554	IXVFUSBSFJVODR-LURJTMIESA-N	238.247	-0.713	50	10	BBGE	
OB(O)c1cscc1CN1CCCOCC1	1231946603	UZZDEUZWCXNBIU-UHFFFAOYSA-N	241.121	-0.350	50	10	BBGE	
Cn1ncc(C(=O)NNC(=O)NC2CC2)c1N	1292119558	FFJNWQVWUUUFRL-UHFFFAOYSA-N	238.251	-0.891	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCC(=O)O1	1329699883	DYAUERWSOHCRMV-RXMQYKEDSA-N	215.209	-0.958	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc(OC)n1	1464484330	JMWIRMKEMHKFEK-UHFFFAOYSA-N	239.235	-0.551	50	10	BBGE	
CN(C)c1ncc(/C=N/NC(N)=O)cn1	1873496222	JJKAMBMYEVRZAJ-LFYBBSHMSA-N	208.225	-0.455	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccc(B(O)O)cc1	1875593171	KQLINALMTHJODG-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
N[C@@H]1CC[C@H]1NC(=O)C=CC(=O)Cl	1883624203	OPGYVTCBZWBGLT-PHDIDXHHSA-N	202.641	-0.086	50	10	BBGE	
O=C1N[C@@H]2CN(S(=O)(=O)CCl)C[C@@H]2O1	1884551286	PKQPPHVRYRVMNY-UHNVWZDZSA-N	240.668	-0.695	50	10	BBGE	
Cn1[nH]nnc1=NCC(F)(F)CCl	1887062125	FAPLZOPWLQRITI-UHFFFAOYSA-N	211.603	-0.082	50	10	BBGE	
O=C(CCNCCO)NCC(Cl)Cl	1891641788	CUZGOVGONRDIGT-UHFFFAOYSA-N	229.107	-0.122	50	10	BBGE	
CN1CC[C@H](OCCCC(=O)NN)C1	1894991497	KWRRMTIFBRLTHG-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H](CF)C1	1895088802	XIWWHCMLMWMKDU-DJLDLDEBSA-N	231.271	-0.717	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1896279657	JLEXIPOCWNALLK-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
COc1ccn(C[C@@H](C)C(=O)NN)c(=O)c1	1899441646	JBTKOYJYAHCRJP-SSDOTTSWSA-N	225.248	-0.517	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cnsc1B(O)O	1900449273	CCGTZDIZHIYXRF-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
CCCNCC(=O)NN(C)S(=O)(=O)C1CC1	1901349145	VCWFTWZDOHDXAE-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CC[C@@H]1CCN[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901378005	VPJNTXAROYUOKA-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCO[C@@H]3C[C@@H]32)C1	1908359214	TYIZYMPBBNNPAJ-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
CCC[C@@H]1C[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1910672556	JTAJMLADDWTRHO-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
CN1C[C@H](C(=O)N2CC=C(C#N)CC2)NCC1=O	1917099168	YTOXKEUVKDDZTI-SNVBAGLBSA-N	248.286	-0.901	50	10	BBGE	
C[C@]12CSC[C@H]1CN(C(=O)C(=O)NN)C2	1927953488	OSBQYKNNYNVWIP-MUWHJKNJSA-N	229.305	-0.812	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)CCCCO1	1928027907	ZQOPGBRPKYJYHW-SECBINFHSA-N	215.253	-0.948	50	10	BBGE	
CO[C@H]1CN(CCCC(=O)NN)C[C@H]1F	1928692788	TUJWOXUGGPWOPJ-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
CN(CCCl)C(=O)Cn1cnnn1	1928696550	OVJJFPKDVMZHCI-UHFFFAOYSA-N	203.633	-0.630	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)[C@@H](C)Cl	1931197241	YTMOQKAMMGBGSJ-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1934333959	PJSIVHZDJDMRSU-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC1(C)COC1	1936093103	ATDDAFYYQKPCIG-BDAKNGLRSA-N	227.308	-0.419	50	10	BBGE	
CO[C@H](C(=O)NNCCO)[C@H]1CCCOC1	1937613561	CTFUZWPGBKOQLS-IUCAKERBSA-N	232.280	-0.959	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C(=O)N(C)C)C1	1940305508	YEZXKBUNLYHJDQ-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)[C@@H]1O	1941090573	PFNAEHQFCVVIJH-OGBGREFGSA-N	241.335	-0.439	50	10	BBGE	
CO[C@]1(CN2CC[C@H](B(O)O)C2)CCOC1	1951322246	ZFHHRLIIULIOAN-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
CNC[C@H](O)CN(C)C[C@@H](Cl)C#N	1954216699	ZGXQDXZMHMCYTH-YUMQZZPRSA-N	205.689	-0.371	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(NC(N)=O)C1	1954680095	GLNIOCWEHZEIRP-SCSAIBSYSA-N	205.645	-0.507	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)[C@H](C)Cl)C1	1955609720	XQBNMPJVJJZIAI-YFKPBYRVSA-N	220.656	-0.674	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)C[C@H](C)Cl	1957308361	VOFKDTLFEQAOKT-WDSKDSINSA-N	223.656	-0.346	50	10	BBGE	
NNC(=O)N1CC[C@@]2(CCCNC2=O)C1	1959577959	UNMCJKWUUALTKF-VIFPVBQESA-N	212.253	-0.828	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H](F)[C@H](F)C1	1960933768	NVDYQTYBCICYJV-WCTZXXKLSA-N	221.251	-0.007	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2C[C@@H]2CN)CC1	1962168922	SFPRWWBLIYVWHI-ZJUUUORDSA-N	209.293	-0.068	50	10	BBGE	
CC(C)OC[C@H]1CCCN1C(=O)C(=O)NN	1976169942	GXVPTOMLHIGSPI-MRVPVSSYSA-N	229.280	-0.608	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCSC1	1981417037	WONZXDXBFBGURX-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
CC1(C)CC(Oc2ncncc2B(O)O)C1	1981423492	FEJBUABWQWALLL-UHFFFAOYSA-N	222.053	-0.276	50	10	BBGE	
OB(O)c1cnc(OCCC(F)(F)F)nc1	1981431196	WNRUVVOLXQQLPA-UHFFFAOYSA-N	235.958	-0.512	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568884	YGYOQGQAVUJDPW-OEZYJKACSA-N	227.308	-0.544	50	10	BBGE	
CN(C)CCC(=O)N[C@H]1CCC=C1B(O)O	1991326115	CXDSTJGRFOYOOF-VIFPVBQESA-N	226.085	-0.845	50	10	BBGE	
CC1(C)[C@H](C(=O)NCC=CB(O)O)C1(F)F	1991328918	HIBSAVNUIRPVAZ-LURJTMIESA-N	233.023	-0.038	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC(F)(F)C1	1992146025	PKRJUEMRVDICTE-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)C2(CCC2)C1	2000815811	XNIAIMYCBNASMZ-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccc(F)cc2C1	2004326628	KQNXMUFBTBVSJY-UHFFFAOYSA-N	237.234	-0.300	50	10	BBGE	
COCCN(c1ccncc1B(O)O)C(C)C	2004935745	POWGSPMAJSZNGH-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
Cc1nc(N(C)CCN(C)C)ccc1B(O)O	2005018387	SRDSRKQCKUFRFW-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
COc1cccc(CN(C)[C@@H](C)C(=O)NN)n1	2010861087	XQSOAMXKLYBCIR-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1C1(O)CC1	2013927113	NIDGPNUFMSHZDX-IVZWLZJFSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)CCOCC(=O)NN)C1	2014040877	YFWOWHPKKUORNM-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NNC(C)=O)CC1(C)C	2019207549	BYLVFDBGISZVCX-SECBINFHSA-N	243.307	-0.490	50	10	BBGE	
CC(C)n1ccc(C(=O)NCC=CB(O)O)n1	2020067401	HFUOXCZIXOSDFD-UHFFFAOYSA-N	237.068	-0.238	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccccc1B(O)O	2022200519	VDBYDCHGYBJYEN-MRVPVSSYSA-N	235.048	-0.398	50	10	BBGE	
C=C1CON(CC23CC(C(=O)NN)(CO2)C3)C1	2023854289	QZKUYAWCDBBBRW-UHFFFAOYSA-N	239.275	-0.671	50	10	BBGE	
Cc1ncc(OCc2cn(C)cn2)cc1B(O)O	2034037001	IBKJKOXBKFTPJU-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1ncnc(N2CCCC23CCC3)c1B(O)O	2052559911	QMTHOZPHPRUWEO-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
OB(O)c1cncnc1-n1cnc2ccccc21	2052602151	GRNJQQHVSHRPKA-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(B(O)O)c1C#N	2060206312	TVHKFNNQLVGFRD-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cc1[nH]nc(C(=O)N[C@@H]2CCC=C2B(O)O)c1C	2076077752	BMBZRVAKSBOSLX-SECBINFHSA-N	249.079	-0.143	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1ccc(B(O)O)s1	2211071664	DXKMMYIZBHVKGO-IONNQARKSA-N	242.105	-0.021	50	10	BBGE	
N=c1nc(SC[C@@H]2CC[C@@H]2C(=O)NN)[nH][nH]1	2211839752	YQEKGSXNPKQLPS-WHFBIAKZSA-N	242.308	-0.675	50	10	BBGE	
Cc1cnc(S[C@H](C)CCO)cc1B(O)O	2212599195	DYNPUSRLLOFFKA-MRVPVSSYSA-N	241.121	-0.067	50	10	BBGE	
Cc1ccn(Cc2cc(B(O)O)cs2)c(=O)c1	2214514182	UEKUDVYXDTZEQK-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
OC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214604951	GFXFJHCNXFUORJ-LLVKDONJSA-N	235.092	-0.819	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ccno1	2216241796	BDRZBIHMAILAQW-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@]1(COc2ncccc2B(O)O)C=CCN1	2217168402	UVFNANBIENXXKF-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
OC[C@@H]1CCCCN1c1ncccc1B(O)O	2217175003	BRNGVDYPVZFLCV-VIFPVBQESA-N	236.080	-0.887	50	10	BBGE	
Cc1c[nH]c(=NCCCCCN)cc1B(O)O	2217185185	YVTHQGAKNPFHBE-UHFFFAOYSA-N	237.112	-0.967	50	10	BBGE	
CNCCCCCOc1ncccc1B(O)O	2217186677	NNCCVOLODBYMGH-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
CC[C@H](CN)COc1nccc(B(O)O)c1F	2217187757	DJALDLVZNPZTKH-SSDOTTSWSA-N	242.059	-0.736	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1Cc1cccc(B(O)O)c1	2220065441	ZLZSMXYYUVXKAL-MNOVXSKESA-N	248.135	-0.451	50	10	BBGE	
CCC[C@@]1(Nc2ccc(B(O)O)cn2)CCNC1	2223626817	JOINFGHXSSQZSE-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3COC[C@H]32)c1	2223628151	PHCRXMVFSGWEDS-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3CNCC[C@@H]32)c1	2223656950	UJKMOZKWMKVOLE-DVVUODLYSA-N	248.091	-0.862	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1Nc1cc(B(O)O)ccn1	2223671672	PEXUHJUSFUIJJB-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
CC1(C)[C@@H](CNc2cc(B(O)O)ccn2)C[C@H]1N	2223679237	MWXFIOIWYPFMTC-PSASIEDQSA-N	249.123	-0.453	50	10	BBGE	
N=c1nnc(=N[C@H]2C[C@H](Cl)C2)[nH][nH]1	2241668957	XFRQLHPDINWJIE-JPYJGEKTSA-N	200.633	-0.717	50	10	BBGE	
NCC(=O)N[C@H]1C[C@H](Br)C1	2242399776	KRXSKHSWIKQKTG-URHBZAFASA-N	207.071	-0.013	50	10	BBGE	
C=C1CC(NC(=O)c2cscc2B(O)O)C1	2243347323	LOICEKXBSWVIAA-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C#CB(O)O)[C@@H](C)[C@@H]1C	2243357231	TWDPNMZVRCFAJS-CSMHCCOUSA-N	223.037	-0.969	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C#CB(O)O)CCS1	2243362313	PHICQQKKHIYABP-QMMMGPOBSA-N	241.121	-0.208	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCNC1	2243364249	TXYDYAIWXVPPNB-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)C1(B(O)O)CC1	2243365748	RLHKXQOKKOLOIM-PRJMDXOYSA-N	225.053	-0.713	50	10	BBGE	
CN1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381311	FEDOZSVZGNSGTG-YIZRAAEISA-N	226.085	-0.940	50	10	BBGE	
O=C(N[C@@H](CF)C(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243396715	PUMOJEQBHRMOQZ-WISUUJSJSA-N	242.965	-0.134	50	10	BBGE	
CC(C)C1CC(CNC(=O)C#CB(O)O)C1	2243400056	VGESWLUOQIXKLI-UHFFFAOYSA-N	223.081	-0.200	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1csnc1B(O)O	2243403983	HDMAUXLFWAPYPI-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)c(C)c1	2243409944	RTQDUYBZXSWASB-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2244217320	PKTPTPYDEUULRA-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
Cc1cnc(N2O[C@H]3CC[C@H]2C3)c(B(O)O)c1	2247069694	CYAOMLLIRRTRTD-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
O=C(NCC1CCCC1)c1cc(B(O)O)c[nH]1	2247746753	DBKDFFJSLOGSTE-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
CC(C)[C@@](C)(NC(=O)C1(B(O)O)CC1)C(N)=O	2247754440	DDHSYHLJLIHPOS-SECBINFHSA-N	242.084	-0.990	50	10	BBGE	
CCCN(O)C(=O)c1ccc(F)c(B(O)O)c1	2247756397	GVVXIFIJFNCADN-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
O=C(NC1CCCCC1)c1cc(B(O)O)n[nH]1	2247783795	LBZZVJTWBZQFKJ-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCNC1	2247787460	PKVGBGLQGUYRQB-WCABBAIRSA-N	240.112	-0.645	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1O	2247797790	MVJHKOVBDNNGHQ-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCO[C@@H](CF)C1	2247799076	ZNKANBXTUDTECN-HACHORDNSA-N	245.059	-0.564	50	10	BBGE	
O=C(NCC12CCC(CC1)O2)[C@H]1C[C@@H]1B(O)O	2247805066	ARLOUNXEANQVPO-QMFGVRBNSA-N	239.080	-0.323	50	10	BBGE	
NCCCC1CN(C(=O)C2CC(B(O)O)C2)C1	2247810254	VXUNKIJTDOSAGR-UHFFFAOYSA-N	240.112	-0.563	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1nc[nH]n1	2247810557	YHZZRFBOEAHWJH-ACZMJKKPSA-N	238.056	-0.765	50	10	BBGE	
CCNCCN(CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247852539	VXXWXJIDXFCCOR-AOOOYVTPSA-N	242.128	-0.303	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CNC[C@H]1C2)C1(B(O)O)CC1	2247870875	RHPAWGPQCDIPGB-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C(=O)C2CC(B(O)O)C2)C1	2247891450	JBEFLCMEGDDKFT-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
C=CC(=O)N1CCc2cccc(B(O)O)c2C1	2248407427	IKLIRDWGAYZPGN-UHFFFAOYSA-N	231.060	-0.563	50	10	BBGE	
CC(C)CN(CC(=O)O)C(=O)C1(B(O)O)CC1	2248575664	CQUOCZDDBMCHQX-UHFFFAOYSA-N	243.068	-0.437	50	10	BBGE	
CC1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)(C(=O)O)C1	2248593468	NJIVTPUAIZVOOJ-PTBZLCQFSA-N	241.052	-0.781	50	10	BBGE	
C=C[C@H]1COCCN1C(=O)C1CC(B(O)O)C1	2249067753	PEBDJKPFDHFTLO-RTBKNWGFSA-N	239.080	-0.347	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N(O)C1CCCC1	2249418903	ACTOTZQOHZGOFU-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2CCCC[C@H]21	2250004240	IMFHMHQDTTZVLJ-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2nnccc2C1	2255569252	UVWNQFULPBPUBP-BDAKNGLRSA-N	247.063	-0.776	50	10	BBGE	
Cn1ccc2c1CN(C(=O)[C@H]1C[C@@H]1B(O)O)CC2	2255581434	BHBJQHOAOBZCOB-UWVGGRQHSA-N	248.091	-0.227	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1ccoc1B(O)O	2255715540	HIQBYISKNPNLQS-PRHODGIISA-N	249.075	-0.121	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)ccc1O	2256010697	WGGKVTVSCMAXCW-SECBINFHSA-N	247.059	-0.480	50	10	BBGE	
CC=CC(=O)N1CCc2ccc(B(O)O)cc2C1	2256680065	QSYGFUQYCYFDRS-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
CC=CCCNC(=O)c1ncc(B(O)O)cc1C	2257492390	URGZNMXFPCDZAR-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1cocc1B(O)O	2258124954	KERVACVDMCQUFQ-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1cocc1B(O)O	2258128073	NQORSEMTBZYTKA-LDYMZIIASA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1cocc1B(O)O	2258130636	JYACMGGUYNSMES-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)CCl	2296596959	CKGOGJBAEGRZNU-NGJCXOISSA-N	213.686	-0.129	50	10	BBGE	
CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298370205	RLAYSEJRDGULDA-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376575	DUIHBSZIQCRIAE-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377538	VBEPEENYYAJXLV-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@H]2C[C@H]1CO2	2300367184	BRTAZVVTKXIQQH-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
CN1CCN(CCC[C@H]2C[C@H]2C(=O)NN)C1=O	2300373417	RGVQTNCYEFBSEI-DTWKUNHWSA-N	240.307	-0.240	50	10	BBGE	
C[C@H](CC(=O)NN)OC1CC(n2cncn2)C1	2300920777	JSZZCIBSKAMAMP-AFPNSQJFSA-N	239.279	-0.233	50	10	BBGE	
CCn1cnc(CN2CCC(B(O)O)CC2)n1	2302754888	DRSGYDMTBXYMEU-UHFFFAOYSA-N	238.100	-0.263	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ccncn2)C1	2303110019	WVLMJMRFZOVVMW-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
CC[C@H](C)NC(=O)CN1CC[C@](C)(B(O)O)C1	2303134202	OLPIEPUEZVREGA-ONGXEEELSA-N	242.128	-0.160	50	10	BBGE	
OB(O)c1cc(N2CCC[C@@H](F)C2)ncc1F	2303847452	JKXYQCCQGMOSNK-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2312848156	QHSGRIWYDKVNKZ-TUTUZKQUSA-N	247.103	-0.057	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(B(O)O)o1	2312848184	SOIOOAXAPUOJJF-YIZRAAEISA-N	247.059	-0.346	50	10	BBGE	
CC(C)[C@H](CO)Nc1ccc(B(O)O)cc1C#N	2317150262	CQOJIPQBMZPDOB-LBPRGKRZSA-N	248.091	-0.333	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNCCO	2318467095	BRTAWPFBJKHRBO-UHFFFAOYSA-N	227.264	-0.872	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(O)cc1	15015062	RLMHQIWTBKPCCO-UHFFFAOYSA-N	211.246	-0.130	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCSC[C@H]1C	70222326	KPBFPEKOMURHBV-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
NNC(=O)CCCN1CCC(O)CC1	82465928	VUAJFKDQNDOGDJ-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCN(C)CC1	86313339	ZUEULPMNFUFAPN-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CNCCN(C)[C@H](C)[C@@H](C)C(=O)NN	86313699	SZBNXRONWMQYPY-HTQZYQBOSA-N	202.302	-0.848	50	10	BBGE	
CCCCC(=O)NNC(=O)c1c[nH]nn1	104646181	CALSZINXHRIRAY-UHFFFAOYSA-N	211.225	-0.244	50	10	BBGE	
N#Cc1ncn(C[C@H](O)CBr)n1	156257392	PWODBRBBIRPRJH-RXMQYKEDSA-N	231.053	-0.094	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1CC1	203927407	UVEPVVVRJXGARC-UHFFFAOYSA-N	205.022	-0.285	50	10	BBGE	
CCS[C@@H]1CCC[C@@H]1NC(=O)C(=O)NN	233972147	HPDFVOAAGWDQPX-NKWVEPMBSA-N	231.321	-0.233	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)CCCC(=O)NN	234374514	HYIHXBRLOYPQIY-MRVPVSSYSA-N	230.312	-0.930	50	10	BBGE	
OB(O)c1ccc([C@H](O)C(F)(F)F)cc1	238625164	YMQMSXNCPYRQBR-ZETCQYMHSA-N	219.955	-0.038	50	10	BBGE	
OB(O)c1cn(Cc2ccccc2)cn1	238652360	OHYRUYOPFTYZHB-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
O=S(=O)(O)SC[C@@H]1CNCCN1	238715680	BLCMBAPJUYSVKN-YFKPBYRVSA-N	212.296	-0.916	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@](C)(O)C1	253060797	DKTUMTZATFORKJ-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](SCC(=O)NC)C(=O)NN	300781028	FRVMGSMEQPLZNO-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
CC(C)N(CCOCCO)C[C@@H](C)C(=O)NN	302539376	SUTWJUKZSXYXAE-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H](O)C1	307437109	UMUOOMGEAHQNPJ-YUMQZZPRSA-N	204.657	-0.190	50	10	BBGE	
COC1CN(Cc2cccc(C(=O)NN)n2)C1	310416734	NEJBWNZIGLVVIP-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
CNC(=O)C[C@H](C)NC(=O)NC(=O)CCCl	322953512	SGQTWQYQEZCVIQ-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
O=C(CBr)NCCCc1nn[nH]n1	392605675	SZTWEUKJIDRKRJ-UHFFFAOYSA-N	248.084	-0.357	50	10	BBGE	
NNc1ccc(OC(F)F)cc1B(O)O	396117820	YWNZBZRLHPRIPX-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
CO[C@]1(CO)CCN(CCCCC(=O)NN)C1	402606944	NJGJSNHKLQVZDV-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
O=C(CC1CCC1)Nc1ccnc(B(O)O)c1	405011990	UTNMJCCEUQJRQO-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
N#CC1(O)CCN(CCN2CCNC2=O)CC1	685994919	PPKZZOVYTRGXRR-UHFFFAOYSA-N	238.291	-0.638	50	10	BBGE	
NC/C=C\c1ccc2c(c1B(O)O)OCO2	687765103	DWAPVLZPEJQIKN-UPHRSURJSA-N	221.021	-0.933	50	10	BBGE	
CCOC[C@@H]1CCCN1CCC(=O)NN	696570217	WOWPIVRTEPCJGK-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CCCN(CCC(=O)NN)[C@H]1CCO	697205292	AJBKGTYZDACCNK-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC(C)O[C@@H]1CCN([C@H](C)C(=O)NN)C1	701686933	ZFPRLZJLVHQWMC-RKDXNWHRSA-N	215.297	-0.136	50	10	BBGE	
Cc1ccc(Cn2ccc(B(O)O)n2)cc1C#N	701874174	DDVJNDKOMYOHHJ-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C(COC)COC	702035774	QTIHTWWMEYHSCP-SNVBAGLBSA-N	247.339	-0.262	50	10	BBGE	
COC1CC(CN(C)[C@H](C)C(=O)NN)C1	703369474	RZADIOXQVAMXMR-AFPNSQJFSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](S(N)(=O)=O)C1	707499149	OCHPFZJJYUWOAS-WDSKDSINSA-N	240.712	-0.497	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	707559068	SKEQQOQFOGCTSM-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1COCC[C@H]1O	710947594	USZIOSOHGCSMGF-RRKCRQDMSA-N	207.657	-0.120	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(N)=S)C1	718477012	FJRDZUORCBQTIR-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)Nc2ccccc2B(O)O)C1	718556030	BGDOKPJCTSIMIR-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
CNC(=O)N(C)CC1=CS[C](B(O)O)C1	725687350	ZGBCHTVQJRJBAT-UHFFFAOYSA-N	229.090	-0.178	50	10	BBGE	
O=C(N[C@H]1COCC[C@H]1Cl)C1=NCN=C1	725690802	VOUJOJXYTBGXAY-SVRRBLITSA-N	229.667	-0.018	50	10	BBGE	
CCN1CC(CN(C)[C@H](C)C(=O)NN)C1	822038081	ZHXCYEBRQBYSND-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1	843842740	RHFLZSAGLSDVAM-UHFFFAOYSA-N	238.247	-0.342	50	10	BBGE	
CCO/C=C(\C#N)C(=O)Nc1nn[nH]n1	1293901475	VJSRAUSAVUFKJZ-SNAWJCMRSA-N	208.181	-0.418	50	10	BBGE	
Cc1nnc(NNC(=O)c2cncn2C)nc1O	1558903874	YDHPNUPXAFGXCP-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(CO)nc1	1623586404	VACDYHNBEWSPSJ-UHFFFAOYSA-N	209.205	-0.645	50	10	BBGE	
CNC(=O)NNC(=O)c1ncc(Cl)cn1	1626583405	XKRHSJQLXBYXQU-UHFFFAOYSA-N	229.627	-0.296	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cc(O)ncn1	1635719009	ZKYIHFGGZALTNU-UHFFFAOYSA-N	248.242	-0.253	50	10	BBGE	
NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1Br	1877336473	MPHMASQJBVYSLS-KVQBGUIXSA-N	237.097	-0.794	50	10	BBGE	
O[C@H]1[C@H]2C[C@H](CN(CCCl)C2)[C@H]1O	1882456589	RSIKMTTUSSSWHV-SPJNRGJMSA-N	205.685	-0.101	50	10	BBGE	
O=C1C[C@@H](N[C@H]2C[C@@H](Br)C2)C(=O)N1	1882560930	NGIYGFAYZMGKIQ-NGJCXOISSA-N	247.092	-0.083	50	10	BBGE	
CC(C)[C@@H](C)[C@H](C)NC(=O)C(=O)NN	1888820460	ASQCLENERCGQCX-RQJHMYQMSA-N	201.270	-0.227	50	10	BBGE	
N[C@]1(C(=O)NC[C@H]2C[C@H]2Cl)C[C@H](O)C1	1893109127	XHVHNKLYPJSCHH-PULFBKJNSA-N	218.684	-0.418	50	10	BBGE	
C=C(CN(C)CC(C)(C)OC)B(O)O	1895237994	DQCJAIPWURAEQH-UHFFFAOYSA-N	201.075	-0.089	50	10	BBGE	
CSC[C@H](C)C(=O)NCC#CB(O)O	1895239734	QTGNGQWRVSHAJC-ZETCQYMHSA-N	215.083	-0.883	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1CCC[C@H](C(=O)NN)O1	1896930435	UNBFFHWRFKAJMU-JGVFFNPUSA-N	249.336	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)C12CCC2	1897739052	LUOSDRPKODRUCP-DJLDLDEBSA-N	225.292	-0.788	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NN(C)S(C)(=O)=O)CCN1	1901338971	GFXJNFFNFFPGQC-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H]1CCO1	1901371131	ZAYFBZNQXGVMKO-VIFPVBQESA-N	223.037	-0.762	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(C)CCCN1	1901373950	QYLSXWRMYFBIKT-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
ClCC#CCCN=c1ccc2nnnn2[nH]1	1902923139	SLFKQIABGFXVKE-UHFFFAOYSA-N	236.666	-0.015	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	1903006759	XXLHROINXSGIAD-ZETCQYMHSA-N	224.044	-0.253	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1910311818	HBFGOXULEMNYGG-PRJMDXOYSA-N	243.018	-0.591	50	10	BBGE	
C[C@H](CCl)CNS(=O)(=O)N1CC(O)C1	1921671970	SLPFDCUUKQKOSQ-ZCFIWIBFSA-N	242.728	-0.628	50	10	BBGE	
COC[C@@H](C)C(=O)Nc1ccccc1B(O)O	1924025067	UISQRJBQAREISM-MRVPVSSYSA-N	237.064	-0.413	50	10	BBGE	
CCOC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1927906465	ANSVRABCVMHLML-VXNVDRBHSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@@H]1C[C@@H]1C(=O)NN	1927918816	XRIPYZGVYJFZPM-XGEHTFHBSA-N	213.281	-0.933	50	10	BBGE	
CCC[C@H](C)CCNC(=O)C(=O)NN	1928855270	SFXBVCICDJBKHO-ZETCQYMHSA-N	201.270	-0.081	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H](F)C1	1932120195	KIAYQWVPICMYKO-PHDIDXHHSA-N	203.217	-0.627	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]1(C)CO	1932967692	PMLILVVBHVRQGL-QXFUBDJGSA-N	215.297	-0.542	50	10	BBGE	
CO[C@@H]1C[C@H](N=C=O)CN(S(C)(=O)=O)C1	1934668586	JBHKGJZCOICKAG-JGVFFNPUSA-N	234.277	-0.629	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2COC[C@H]2C1	1936090933	JYXOJVCWAGULRK-SGIHWFKDSA-N	225.292	-0.809	50	10	BBGE	
COC(C)(C)CN(C)C[C@H]1C[C@H]1C(=O)NN	1936093493	FFVGIPSUVNUZOX-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](N(C)C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)O	1936094016	JOISZFNZSCSADV-XHNCKOQMSA-N	229.324	-0.296	50	10	BBGE	
COC[C@@]12CN(CC(=O)NN)C[C@@]1(C)C2	1960279483	ZYQLGBNASYNDJS-NXEZZACHSA-N	213.281	-0.665	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	1961395116	ABKRREXVCTXJBG-KVQBGUIXSA-N	218.996	-0.594	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H](C)C(=O)NN)c1	1961472876	VFYOSPLIHYMJMJ-MRVPVSSYSA-N	209.249	-0.217	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCCOCC1	1976388499	ZVWKGWVFQSNUMI-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@H](C)[C@H]1C	1977236692	DVWZBGYDJPQEAH-NQMVMOMDSA-N	229.324	-0.175	50	10	BBGE	
NNC(=O)CN1C[C@@H](C(F)(F)F)[C@@H](CO)C1	1977994595	UGPWVFJSGNXBNE-PHDIDXHHSA-N	241.213	-0.921	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3C[C@@H]32)c1B(O)O	1981448205	ZGIVZHNGOHDAJD-YUMQZZPRSA-N	219.053	-0.937	50	10	BBGE	
COc1nc(N(C)C(C)C)ncc1B(O)O	1981468686	GWKZMJIPIYQSSA-UHFFFAOYSA-N	225.057	-0.990	50	10	BBGE	
CCN(C[C@H](C)OC)c1nc(B(O)O)cs1	1981469206	OLYWYBLAGYZDPR-ZETCQYMHSA-N	244.125	-0.316	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)C2CC(O)C2)CC1	1981738253	SSAHIGQVHDSREO-UHFFFAOYSA-N	242.300	-0.005	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CCO[C@H]2C(N)=O)C1=O	1982020390	FATAEGPKVNMUSQ-PJKMHFRUSA-N	246.694	-0.284	50	10	BBGE	
CN(C)C1CN(CCC(F)(F)C(=O)NN)C1	1984128292	MOHOZBUCQXMTMM-UHFFFAOYSA-N	236.266	-0.753	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC=C[C@@H]1CO	1985651104	HPLCDYMUFYNSLJ-SSDOTTSWSA-N	235.234	-0.766	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC(C)(C)C(=O)NN	1990041471	RUVPELHBNYKUPU-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=C1NC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3Cl)C2)N1	1991695270	ZAZAGGYNGLTHRX-XSSZXYGBSA-N	243.694	-0.102	50	10	BBGE	
C=C(CN1CC[C@@H]2CN(C)CC[C@@H]21)B(O)O	1992152236	BTOZNMLGPDMWIB-MNOVXSKESA-N	224.113	-0.419	50	10	BBGE	
CC[C@H]1C[C@H]1COc1ncncc1B(O)O	1993081568	SEQVDHQMLAISSR-YUMQZZPRSA-N	222.053	-0.419	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCC2(CC2)CO1	1994631502	WECWFCUQBCLKKA-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CCC3)C2)nc1	2004918400	LFCUYZQXFSAMJV-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
OB(O)c1cnccc1N(CC(F)F)C1CC1	2004924657	FPHLXICOBIQGON-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
Cc1ncnc(OC[C@@H](C)C2CC2)c1B(O)O	2004924682	FZQQPGUACUVIOQ-SSDOTTSWSA-N	236.080	-0.110	50	10	BBGE	
CCOC(C)(C)COc1ncccc1B(O)O	2004951419	MMZNQLIJUMAXPX-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CC[C@H](C)N(C)c1ncc(B(O)O)c(OC)n1	2005015144	WPHSRXMSSUBKAZ-ZETCQYMHSA-N	239.084	-0.600	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C2CCC2)n1	2005015678	DLOHGIDNNGGNCM-UHFFFAOYSA-N	235.096	-0.238	50	10	BBGE	
COc1nc(N2C[C@@H](C)[C@H]2C)ncc1B(O)O	2005017714	JIJUEWOIDKZOFK-RNFRBKRXSA-N	237.068	-0.990	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC12CC(CF)C2	2011139314	NLVKHPQLNVNHMI-YUCVTWSNSA-N	245.298	-0.185	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC(CO)C2)C1	2013608518	KMZMQGZTCCTXSM-UHFFFAOYSA-N	249.261	-0.684	50	10	BBGE	
COCC1CC2(C1)CN(C[C@H](C)C(=O)NN)C2	2013616895	URIFWZQDVGVZBG-VIFPVBQESA-N	241.335	-0.029	50	10	BBGE	
CO[C@H]1C[C@H]1COc1ccc(F)cc1B(O)O	2014605219	OTPPVHQHIAPSBP-CPCISQLKSA-N	240.039	-0.081	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H]2COC[C@@H]21	2017525361	PXTKIPNAPAXEEQ-XKNYDFJKSA-N	243.307	-0.900	50	10	BBGE	
COCC1(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)CC1	2018962256	HTRIVRFEUWZWNR-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COC2CC1C2	2019211392	QIYASRHPCWOYHC-RTBKNWGFSA-N	241.291	-0.737	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCC[C@@H](C1)OC2	2020059380	NHKRBUMMAYEDBW-ONGXEEELSA-N	239.080	-0.370	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@H]1C(N)=O	2028919774	HSCOGMWVMAORFL-JTQLQIEISA-N	248.286	-0.650	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2COC[C@@H]2C1	2052493763	FIYARCLTAJRESY-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
CCc1cc(B(O)O)c([N+](=O)[O-])cc1C=O	2060034006	BPVYKBGCCRRFHC-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCc1cc(C=O)c(B(O)O)cc1[N+](=O)[O-]	2060037086	WLVOEOADIVAVPV-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070854719	KYUCPHWNFFQOEP-YSBPJYLOSA-N	244.103	-0.148	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2CC(F)(F)C(=O)NN	2213353851	IMOVKMOAKKRITK-BHNWBGBOSA-N	249.261	-0.543	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	2215199376	PRCMSEPBXILDRU-UNQZSWDGSA-N	239.319	-0.136	50	10	BBGE	
CON1CCN(C[C@H]2CC[C@H]2C(=O)NN)CC1	2215771645	JFJGQJIOTRDBGH-NXEZZACHSA-N	242.323	-0.819	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215775584	HVUNBEHAXDNZTA-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
CCOC(=O)CCNc1cc(B(O)O)ccn1	2217173535	RXJOLFHSIUXCKE-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
OB(O)c1ccc(OCC2CCNCC2)nc1	2217178987	DKMMMRVLOSEZMP-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217179387	JYSRVORQKYRFQO-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNC12CCC2	2217182433	AQURTHFDLIHYFW-SECBINFHSA-N	234.064	-0.965	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCCN2)nc1	2217185376	WEEXYVRDPSDCGG-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Oc1cc(B(O)O)ccn1	2217194600	WZRUQOYWNZRXDL-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
CC1(C)[C@@H](Nc2cc(B(O)O)ccn2)C[C@H]1N	2217195947	BCZJPFGGHYXYIR-BDAKNGLRSA-N	235.096	-0.701	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1Nc1cc(B(O)O)ccn1	2223637080	NWHBVTRLJMNEBG-MWLCHTKSSA-N	249.123	-0.487	50	10	BBGE	
CN(C[C@@H]1CCCCN1)c1ccc(B(O)O)cn1	2223671494	MTIBBVOCXYBJOJ-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
Cc1nscc1CC(=O)NNCCO	2241363937	KWAZNPQNZXUVHW-UHFFFAOYSA-N	215.278	-0.393	50	10	BBGE	
CS[C@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2241481061	QSQDXWVZRHAGFZ-DSYKOEDSSA-N	217.099	-0.283	50	10	BBGE	
O=C(N[C@@H](CO)C(F)(F)F)C1(B(O)O)CC1	2243363839	NHCLCAJKAQXAAN-BYPYZUCNSA-N	240.974	-0.967	50	10	BBGE	
CN(C)C1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243392269	SNLSVPHKVYDSRH-ABIFROTESA-N	226.085	-0.942	50	10	BBGE	
C[S@@](=O)CCCCNC(=O)C1(B(O)O)CC1	2243409724	NNNBKKBQSIXLSL-MRXNPFEDSA-N	247.125	-0.732	50	10	BBGE	
CON(C)C(=O)c1ccc(F)cc1B(O)O	2243410681	GBCOGPGIVGFINO-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N[C@H]1C[C@H]1C	2243414605	DVEWBJSYLVWARB-XINAWCOVSA-N	240.093	-0.730	50	10	BBGE	
C=C(CS(=O)(=O)NC(C)(C)C#CC)B(O)O	2243434222	WASMHDGSLCFLFK-UHFFFAOYSA-N	245.109	-0.724	50	10	BBGE	
CCCS(=O)(=O)NC(=O)C1(B(O)O)CCC1	2243753103	QQDGBBTZUHIZBY-UHFFFAOYSA-N	249.097	-0.761	50	10	BBGE	
C=C[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243758179	BICUTIJWOKJONX-LURJTMIESA-N	227.025	-0.861	50	10	BBGE	
COc1nc(=N[C@H]2C[C@H](Cl)C2)nc(NN)[nH]1	2243971561	HJYMDHHCOPRCBJ-URHBZAFASA-N	244.686	-0.231	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1coc(B(O)O)c1	2244149722	OWZWMLNNRGXRHK-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCc1nsc(CN(C)[C@@H](C)C(=O)NN)n1	2245049809	TUDGHIHTZQFIPQ-LURJTMIESA-N	243.336	-0.089	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@H]2F)[nH]cc1Cl	2245912606	DDFXUZJGGJBAHH-YLWLKBPMSA-N	244.462	-0.393	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2247721459	DNXYNQJMVMRPQI-IUCAKERBSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1ccoc1B(O)O	2247738243	OSZQJZUKHMUGEO-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)o2)C1	2247741540	BIDBVSYGOSKOPB-OCAPTIKFSA-N	233.032	-0.899	50	10	BBGE	
CC(C)(C)[C@H](CCO)NC(=O)C1(B(O)O)CC1	2247758279	UTVYCELASMSDLM-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1CCOCC[C@H]1NC(=O)C1(B(O)O)CC1	2247758880	YHPQRMWCCSSMAB-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)c(F)c1	2247760075	BECDXBXNEUKFSO-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
CCN(CCCN(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2247799425	CXHDXHKRHSKJQW-VHSXEESVSA-N	242.128	-0.351	50	10	BBGE	
CCCOC1CN(C(=O)C2CC(B(O)O)C2)C1	2247803819	CUNSKMROJYCTOD-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)CNCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247805008	ADJHRXNJHHJOQJ-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](N(C)C(=O)C#CB(O)O)[C@]1(C)CC1(F)F	2247850298	MPNHBBHQCMPQJF-CBAPKCEASA-N	245.034	-0.106	50	10	BBGE	
O=C(N[C@]12CCOC[C@H]1C2)C1CC(B(O)O)C1	2247859695	OELWELBOXXPYDN-LURLDICESA-N	239.080	-0.465	50	10	BBGE	
C#CC1CC(NC(=O)c2ccc(B(O)O)s2)C1	2247866325	KKZDJNIJXNZMGI-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
CCCN(C)C(=O)c1cc(F)ccc1B(O)O	2247867463	FXMJEIWJGFUEML-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC(C)(F)F	2247870716	ORQLPARDJUNRTG-UHFFFAOYSA-N	247.006	-0.347	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cccc(C)c1B(O)O	2247875242	UWNSKHFDYGPLTB-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894258	DZHDBTPRNKARLK-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@]12CCOC2	2247894328	FSBITOYIUZJFFB-FXPVBKGRSA-N	239.080	-0.369	50	10	BBGE	
Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247898036	ZTJZSAHRIUJWAN-VXNVDRBHSA-N	237.068	-0.494	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2NCC[C@@H]2C1	2247909572	KNXBNZQZSKCHBW-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
C#CCOC(=O)Nc1ncc(B(O)O)cc1F	2248219129	ZJVPKJOGCFBPKI-UHFFFAOYSA-N	237.983	-0.918	50	10	BBGE	
C[C@@H](CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248586037	UTSZILHWAULOMK-FXQIFTODSA-N	243.068	-0.582	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2249416537	TUIMNRCPJUQSLW-XVKPBYJWSA-N	237.064	-0.266	50	10	BBGE	
Cc1cc(C(=O)N(O)C(C)(C)C)oc1B(O)O	2252749289	NBBMZWBNHMADSV-UHFFFAOYSA-N	241.052	-0.102	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2C[C@@H]3C[C@@H]3C2)n1	2254709289	QTEXFGSPQGFLSB-AYMMMOKOSA-N	249.075	-0.053	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1n[nH]cc1B(O)O	2255552695	ONELTRFGWTUARE-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2255723208	ZHZOAQUMLCLCLP-XGEHTFHBSA-N	249.075	-0.266	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)ccc2O)C1	2256015006	RNPZWHUXGQBMJS-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2258130534	IIKXFEHHBXUHLI-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CN	2298369129	KHGKZTIMHMKHML-QEYWKRMJSA-N	240.112	-0.707	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375729	XWQQCPZZIUJVGG-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300367237	DFFJZUWJZABJEO-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H](CN)C1	2317166204	SHTHSDUAALPIMT-JLIMDTESSA-N	245.091	-0.613	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCC(N)=O	36748869	LFSRFCWHEXOSMF-BYPYZUCNSA-N	221.644	-0.685	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CONC1=O	86482494	SSVRQVVVFHAMLA-CRCLSJGQSA-N	206.629	-0.593	50	10	BBGE	
O=S(=O)(CCCl)c1ccc2nnnn2n1	87201029	GFGJRSFDNYHBMM-UHFFFAOYSA-N	247.667	-0.468	50	10	BBGE	
CC1(C)CC(=O)C=C(NCC(=O)NN)C1	101791163	PDCPCNKFWHUBGO-UHFFFAOYSA-N	211.265	-0.161	50	10	BBGE	
CCC[C@@H]1NC(=O)N(CCCC(=O)NN)C1=O	110597534	HAVYXZUSJAZAGW-ZETCQYMHSA-N	242.279	-0.523	50	10	BBGE	
C[C@@H](O)CCN(C)CCCCC(=O)NN	220008865	NEJNWVYTLSLABO-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CO[C@@H](C)COc1ccc(F)cc1B(O)O	228582895	SKDDCQRXKVTTCA-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cccnc1	232419224	PQYWOHIZPHLMMU-SNVBAGLBSA-N	238.291	-0.482	50	10	BBGE	
ClC[C@@H]1CN2CCOB(OCC2)O1	238501334	DGJJRNTWNNDIPG-SSDOTTSWSA-N	205.450	-0.042	50	10	BBGE	
O=C1N[C@@H]([C@H]2CC(Cl)=NO2)C(=O)O1	238520089	HFWQQFYCIQTXMP-FONMRSAGSA-N	204.569	-0.037	50	10	BBGE	
N[C@H](COC(=O)C(Cl)Cl)C(=O)O	238580592	QJFURBWRVFQKAO-UWTATZPHSA-N	216.020	-0.255	50	10	BBGE	
C[C@H](CSCC(=O)N1CCCC1)C(=O)NN	300792734	DEPMECHQWIBAHF-MRVPVSSYSA-N	245.348	-0.032	50	10	BBGE	
CO[C@@]1(C)CCN([C@@H](C)CC(=O)NN)C1	308801023	DQRJCSRKSZJZOF-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1C(=O)NCCN1CCC(C)(C)C(=O)NN	395699907	HFLKPMCXKFYVAM-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
COC(=O)c1nc2cc(B(O)O)ccc2[nH]1	396059204	PABUPMLSPPBPDX-UHFFFAOYSA-N	219.993	-0.971	50	10	BBGE	
CCOc1ccc(CC(C)=O)cc1B(O)O	396078724	QSKNBXDVBULQMB-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1B(O)O	405014867	SSMUBDYQUPHGPF-RKDXNWHRSA-N	249.075	-0.270	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[S@](C)=O	405046729	AIKLOVYLKUPZFJ-HNNXBMFYSA-N	227.094	-0.908	50	10	BBGE	
CO[C@@H]1CC[C@@H]2NC[C@H](Cl)C(=O)[C@@H]2N1	605704953	JIDJCKNAQIPSOB-RULNZFCNSA-N	218.684	-0.141	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C(=O)NN)CS1	606286700	SMFMYDMTAKXTDR-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](C)[C@](C)(CO)C1	694662621	SARNPMAJLUMRER-WDCWCFNPSA-N	243.351	-0.049	50	10	BBGE	
COC[C@H]1CCCN1Cc1ccc(B(O)O)cc1	696537674	UUYLDGYJVCJIHF-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	701949975	FOMHYRBYEFYATC-NKWVEPMBSA-N	231.252	-0.796	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CN(C)C[C@]2(C)C1	702396867	BIZLEZWPTRFQCC-CKYFFXLPSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CCCO2)C1	702937596	DROKKSXHWHRCLO-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CN1CCN(CCC(=O)NN)CCC1(C)C	712661340	YDSLVJJDGQEMFX-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CCN1CC(CN(C)[C@@H](C(=O)NN)C(C)C)C1	822037906	XBIVTBGNQLYJPJ-LLVKDONJSA-N	242.367	-0.116	50	10	BBGE	
Cn1cnc([C@H]2C(=O)NC(=O)[C@H]2Cl)c1	886012097	YSEYXOBSKZIYIV-RITPCOANSA-N	213.624	-0.233	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@@H](C)[C@H]1C	1118228734	UHJHDAHVUATQDY-RITPCOANSA-N	214.221	-0.314	50	10	BBGE	
COCCN(C)NC(=O)CNCC(F)(F)F	1140545057	NGFNLFQFKXKRFX-UHFFFAOYSA-N	243.229	-0.252	50	10	BBGE	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1	1472512157	GDNKSSKZMYJGPM-RNFRBKRXSA-N	237.219	-0.107	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cc(C#N)c[nH]1	1625904308	ANCAPCNAQWUQQN-UHFFFAOYSA-N	237.288	-0.033	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1ccnnc1	1630215459	QAORSKTXSCBZEY-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCn2ccnc2C1	1630972025	DZUNDSDOOJDADO-ZETCQYMHSA-N	237.263	-0.594	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cc(Cl)no1	1633133350	XSIRRDWYQTWTTJ-UHFFFAOYSA-N	247.638	-0.140	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2ccnnc2)c1	1643024043	AMWSGZGZUBIUGS-UHFFFAOYSA-N	245.242	-0.110	50	10	BBGE	
C[C@H](CN)S(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883565240	AJVRTSAWRDLCLC-VQVTYTSYSA-N	226.729	-0.120	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC2(CNC(=O)N2)C1	1884978259	SICVNICSRZXBKB-YFKPBYRVSA-N	217.656	-0.493	50	10	BBGE	
CC[C@H](O)C(=O)NN(C)S(=O)(=O)CC	1888676531	JWXKMDBEFISBRE-LURJTMIESA-N	224.282	-0.930	50	10	BBGE	
O=C(NCc1sccc1B(O)O)[C@@H]1C[C@@H]1F	1895381253	CHFPYYPVIWGXGA-VDTYLAMSSA-N	243.068	-0.598	50	10	BBGE	
C[C@@H](CN)SC[C@@H]1CCC[C@H](C(=O)NN)O1	1896929559	PDABBFSZNFTRAO-XHNCKOQMSA-N	247.364	-0.006	50	10	BBGE	
CCCN(OC)C(=O)c1cnsc1B(O)O	1900455740	WKBDZIIVLJWSJG-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
CCCCN(O)C(=O)c1cnsc1B(O)O	1900474670	JJDHMGWRJOTQGM-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CCOC2)C1	1902521431	HBDVGLDEGQERTC-WPRPVWTQSA-N	227.069	-0.512	50	10	BBGE	
CN(C)CC1(O)CN(C(=O)/C=C/C(=O)Cl)C1	1902911323	DTGDLBIJQIQTAJ-ONEGZZNKSA-N	246.694	-0.557	50	10	BBGE	
C[C@@H]1CCCN1c1cc(B(O)O)c(F)cn1	1903005832	LJGFHCRDLZEUOO-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
C[C@@H](CN(C)C)N(C)CC1(C(=O)NN)CC1	1904707619	KTEUOQKYZVXVOJ-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CN1C[C@H](C2CC2)CC1=O)C(=O)NN	1912272103	MPDQSBBEWVLITI-VXNVDRBHSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914009871	BNLXLQWJKPMJTH-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2C[C@H]21	1916276613	TUJDQLGPRJOJIX-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
CNC(=O)[C@H](C)N(C)S(=O)(=O)CCl	1916840656	XGELLNYDUVVNTC-YFKPBYRVSA-N	228.701	-0.421	50	10	BBGE	
N#CC1=CCN(C[C@@H](O)Cn2cc(N)cn2)CC1	1917053401	ZKUIMDIDOCSTKJ-GFCCVEGCSA-N	247.302	-0.018	50	10	BBGE	
C=C1COC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1918863361	NIHLUNHIMAGVOG-XHNCKOQMSA-N	223.228	-0.142	50	10	BBGE	
COC[C@H](Cl)CNC(=O)Cn1ccnn1	1928690178	HIPPTRBIHHQBFP-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
Cc1ccc(C(=O)NNCCO)c(O)c1	1929836798	PKJJWDFKFKMTHW-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936087101	YLGKIXUKWDYKDC-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
C[C@H]1CCCN(CCOCC(=O)NN)C1=O	1936531689	UIRKUYYORDFREK-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](O)(CC)C1	1937985594	TVXTWGYCOHXGAZ-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1N(C)C	1941088999	SSKUFWLKWNSCKE-VPOLOUISSA-N	240.351	-0.506	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCOCC1	1941737549	WUMLDKMFMYYBQX-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN(CCN1CCCC1)CC1(C(=O)NN)CC1	1945882087	BSSMPDZOIPSDDG-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1948554913	VXUBLIKSUNMWFZ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@@H](O)[C@H](O)C#N	1951361758	XNOSQKKKUHIESI-RNFRBKRXSA-N	216.237	-0.244	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NNC(N)=O)CO1	1955381497	XNNAJNDZPHAPAX-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
O=C(CCl)NC[C@@H]1Cc2nncn2C1	1956504088	OCOBEJYIZSSXRL-LURJTMIESA-N	214.656	-0.195	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1958735275	ZFSCKNBNEJZKKO-VGMNWLOBSA-N	212.297	-0.999	50	10	BBGE	
C[C@@]1(F)CCN(c2nc(B(O)O)cs2)C1	1961717614	CVCIUOZDLXWWQA-MRVPVSSYSA-N	230.073	-0.239	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)c1c[nH]c(=O)cn1	1974768913	KJFLESFYKLVESN-LURJTMIESA-N	225.635	-0.260	50	10	BBGE	
C[C@@H]1C[C@H](CCn2cc(B(O)O)cn2)CO1	1976356504	GYFJYHJHORQHHJ-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(C)COC[C@H]12	1976539853	LEGMJRUZLAXXCD-WCABBAIRSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C2(CCC2)C1)C(=O)NN	1978832716	VLAXDOWCRJWNEK-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@H](C)[C@H](C)C(=O)NN	1979849399	ODNBLXOGQUBLRX-IVZWLZJFSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CCSCC1	1981040444	DZJBINNQVXYWIK-QMMMGPOBSA-N	247.364	-0.445	50	10	BBGE	
CC[C@H](C)N(CC)c1ncc(B(O)O)cn1	1981410320	YERZAPYLCPRWLF-QMMMGPOBSA-N	223.085	-0.219	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@H](Cl)[C@H]1C2	1983569255	BODVJZVRRRNHOA-BIIVOSGPSA-N	241.682	-0.099	50	10	BBGE	
COCC(=O)N[C@@H](C)c1cc(B(O)O)cs1	1983825120	WVYIAJLZBOLGBJ-LURJTMIESA-N	243.093	-0.749	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](O)[C@H](F)C1	1984121988	MVAQMIHFCYDMLX-RITPCOANSA-N	241.213	-0.984	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@H]1C1CC1	1990725954	RYHGKYDNSYTAEO-ONGXEEELSA-N	227.308	-0.134	50	10	BBGE	
O=C(CCc1ccco1)NCC=CB(O)O	1991333179	SLBJSMRTKPHMBQ-UHFFFAOYSA-N	223.037	-0.103	50	10	BBGE	
C[C@@H](O)[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991717201	UVTIJNFUKNUUFH-YEMZYZDBSA-N	247.678	-0.084	50	10	BBGE	
COC[C@H](O[C@H]1CCOC[C@H]1F)C(=O)NN	1991732694	VTWVCDCJLACDBW-CSMHCCOUSA-N	236.243	-0.865	50	10	BBGE	
C[C@H](CC(=O)NN)n1cnc2c(N)ncnc21	1995630729	WXBOUHUQJDVHER-RXMQYKEDSA-N	235.251	-0.651	50	10	BBGE	
CCN1CCN([C@H](C)[C@@H](C)C(=O)NN)CC1=O	1996756659	VNRGXNKENVTRHI-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CO[C@H](CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	2002971794	JJWHQLQNEWWNLT-VGMNWLOBSA-N	243.259	-0.700	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@]1(CC)CO	2003263925	CPXDBWSCVSTISS-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2c(C)nnc2C1	2003923749	XSDRIJOTRHYBLN-MRVPVSSYSA-N	238.295	-0.829	50	10	BBGE	
CO[C@H]1CCN(c2nccc(C)c2B(O)O)C1	2004919337	XQKITHFZMIXJGN-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CN(C[C@@H]1CCOC1)c1ncccc1B(O)O	2004935850	QVPKAGODRZGRKT-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)C(=O)NCc1noc2c1CCCC2	2007730848	JSXOJWPGQOQCAL-UHFFFAOYSA-N	238.247	-0.841	50	10	BBGE	
CN(CCC(N)=O)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010835467	OVZQZMKGBNTMEW-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012641426	MNJLAUAZARIGIL-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CCCN2C)C1	2013599427	CEPVRARUEABGRZ-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CCn1nnc(CN2CCC(O)(C#N)CC2)n1	2020930497	VWPHSIPUUQTAFW-UHFFFAOYSA-N	236.279	-0.457	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1C[C@]12CCOC2	2021273830	PFACGSBMXFOZEK-ONGXEEELSA-N	244.291	-0.564	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12CO[C@](CF)(C1)C2	2023948481	UWXRSZAHNYQUJL-PHIMTYICSA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@]2(CCO2)C1	2035806440	QOJCXHLMINUGCW-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
Cc1ncnc(N(C)CC2[C@@H](C)[C@@H]2C)c1B(O)O	2052558313	UGVUJIOGBUDEBN-YUMQZZPRSA-N	249.123	-0.197	50	10	BBGE	
CC=C[C@H](O)C(=O)NN(C)CCOC	2053313387	DSYYFOTVHVQCOU-QMMMGPOBSA-N	202.254	-0.467	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccn2ccnc2c1	2077434750	ZOEIIGWTIOTMKN-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1ncccc1B(O)O	2086423858	HCQGIGPJPVCKKT-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
OC[C@@]1(O)CCN(CCCCl)C[C@H]1O	2209502572	CDKLDGYCYOUXAP-BDAKNGLRSA-N	223.700	-0.595	50	10	BBGE	
CN(CCF)Cc1ccc(B(O)O)s1	2209687275	ZYCQQMDVVZNFNQ-UHFFFAOYSA-N	217.074	-0.171	50	10	BBGE	
COC[C@@H](C)N(C)Cc1cc(B(O)O)cs1	2211072741	QDOQTAVZVHECOZ-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
OCCC1(Nc2ncccc2B(O)O)CC1	2212601283	LVWUMYIBYZBEHJ-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1cc(B(O)O)ccn1	2212614290	CDDQBVVDNARRRH-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2213354742	JSLALOXLBUXWDO-GOVZDWNOSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1CCC(=O)N1Cc1cccc(B(O)O)c1	2214596867	RNXQDTHWOHFHAO-VIFPVBQESA-N	233.076	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2214987292	CVKZTWHSFOIIMM-FKTZTGRPSA-N	239.080	-0.372	50	10	BBGE	
CCN(C)C1CN(CC2(C(=O)NN)CCC2)C1	2216535232	YACQVUVXDOVYPE-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccnc(N2CC3(F)CC2C3)c1F	2217181210	NUYXUXMGSYMQDK-UHFFFAOYSA-N	240.018	-0.409	50	10	BBGE	
CC1(C)C[C@H](Nc2cc(B(O)O)ccn2)CO1	2217184309	RUYASPZTTQAIJQ-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
C[C@]1(CCO)CCN1c1ccc(B(O)O)cn1	2217184359	OTPIMUDAYWAUHA-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1CCN[C@@H]1COc1cc(B(O)O)ccn1	2217185691	AGWMPNXEFJQSAI-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](C)[C@H](N)COc1ccc(B(O)O)cn1	2217187667	CCDCMQZGXKJDRX-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
C#CC(CC)(CC)Nc1ncc(B(O)O)cn1	2217203276	RZMCREIOXMGISX-UHFFFAOYSA-N	233.080	-0.240	50	10	BBGE	
OB(O)c1ccnc(N2CC(C3CCC3)C2)c1	2217203723	ZMTHSLDGLOWGNH-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
C[C@]12C[C@](Nc3ncccc3B(O)O)(CO1)C2	2217203767	ABVJRKCFWJQPAP-XYPYZODXSA-N	234.064	-0.505	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@H](O)[C@H]2C3)c1	2220069365	DXQKOJJXCSBHCQ-RTXFEEFZSA-N	247.103	-0.679	50	10	BBGE	
C=CCN(CCOCC(=O)NN)OC	2241796807	KDMAGLUXXBKXFD-UHFFFAOYSA-N	203.242	-0.958	50	10	BBGE	
CC1(OC[C@@H]2C[C@@H]2C(=O)NN)COC1	2242118074	MTAAZDXEJWOZGV-BQBZGAKWSA-N	200.238	-0.582	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@H]1CF	2243358066	BKJCRUWNODAJJO-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1ccsc1B(O)O	2243359709	WRXHLLGYITUSLT-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
Cc1nnccc1NC(=O)C1(B(O)O)CC1	2243363245	CWHUEOIKIOSUHR-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
NC[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243365154	INWXIFKPZOFCHF-MRVPVSSYSA-N	226.085	-0.809	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)cs2)[C@@H]1C	2243385718	NEWJCBUCEXBARY-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C#CB(O)O)O1	2243399460	MHQKSXZWCVGLGY-QMMMGPOBSA-N	225.053	-0.924	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)s1	2243406964	IQTLZMWMCPKKJM-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)s2)C1	2243407497	TZNIHPGUXWUJAG-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1sccc1B(O)O	2243407594	VSKCCVCZJCTCSH-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
CN(C[C@H]1CCN1)C(=O)[C@H]1C[C@H](B(O)O)C1	2243415269	QZMFXDWBOSJGJH-IWSPIJDZSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243426335	GWOVTBPOLWCYGQ-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H](C)CCC)B(O)O	2243433875	RFCRSMUWWSXPGN-QMMMGPOBSA-N	249.141	-0.090	50	10	BBGE	
C#CC[C@@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	2243713456	WMHSEUCSOMRGMP-PSASIEDQSA-N	221.065	-0.137	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cocc1B(O)O	2244204832	AZZJGFFNWGPGPS-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)o2)C1	2245437461	YVLLDDAFGAZYMF-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
CNC(=O)C[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247732277	DYVAOUXDIRDPAJ-SSDOTTSWSA-N	242.084	-0.976	50	10	BBGE	
CN(C[C@]1(F)CCOC1)C(=O)C1(B(O)O)CC1	2247750626	MEQFGOJKAGLWCK-SECBINFHSA-N	245.059	-0.420	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)C1(B(O)O)CC1	2247756022	KPLQVOADBJUMSS-NRPADANISA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1occc1B(O)O	2247757685	RWWLGLQXWMNFJY-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cn1C	2247762694	GLFZUEKGJSEZEH-CBAPKCEASA-N	236.080	-0.767	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2247785471	LDAROFYKLJVDSS-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247798535	VETFSRHVIGHYGG-XSPKLOCKSA-N	241.096	-0.485	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800446	PGEDAKPTCKEJHC-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCn2cccc2C1	2247800671	RISVIGFBPIFZKB-UWVGGRQHSA-N	234.064	-0.307	50	10	BBGE	
C[C@H](CO)CC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247800964	VLLWDEJXLSJEIM-UJNFCWOMSA-N	241.096	-0.674	50	10	BBGE	
COC[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)OC	2247808352	KWBKDWQDFUECQF-CIUDSAMLSA-N	245.084	-0.983	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCO[C@@H](CF)C1	2247855882	ZNKANBXTUDTECN-YIZRAAEISA-N	245.059	-0.564	50	10	BBGE	
O=C(N[C@@H]1CCNC12CCC2)C1(B(O)O)CC1	2247872197	OILJCJFEHHVDJQ-MRVPVSSYSA-N	238.096	-0.606	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cc1F	2247878456	KCBDRBOHGMXYFG-XRGYYRRGSA-N	238.027	-0.961	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893230	OHYQUNJHTGNFSG-LGUIWLBCSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)O2)[C@@H]1C[C@@H]1B(O)O	2247898273	BWFPEKAENOSSKN-LDRYSYKRSA-N	239.080	-0.325	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC2(CNC2)C1	2247909330	INEKYPGMZMBELV-UHFFFAOYSA-N	238.096	-0.939	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](C)C(=O)O	2248574985	XFTIOHXHZLHUMA-DKXJUACHSA-N	243.068	-0.535	50	10	BBGE	
COC[C@]1(C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2248711392	OGFJDKBYDVSUFZ-CKQMPDBCSA-N	241.096	-0.219	50	10	BBGE	
C/C=C/CNC(=O)c1ncc(B(O)O)cc1C	2248969570	FWKBTSXUYGBBPR-ONEGZZNKSA-N	234.064	-0.624	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cocc1B(O)O	2249418549	VPJZYEZEIXOTEU-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
CC1(C(=O)NCCC#CB(O)O)CC(F)(F)C1	2250002095	GTQUJTSUBMJHBB-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@]1(C)C=CCC1	2255498865	CHNMYLYQIFDTEH-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1c(F)cccc1B(O)O	2255512970	IVZBSUSIRXTZKR-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cncc(B(O)O)c1	2255519772	BEIQGOGZQSHHRM-UHFFFAOYSA-N	246.075	-0.849	50	10	BBGE	
CC#CCCNC(=O)c1ncc(C)cc1B(O)O	2255556241	MQYKMVXHLMLXOR-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@@H](C)C2)c1B(O)O	2255574426	ASUUESSELKNTRE-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
Cc1cc([C@H]2CCCN2C(=O)C#CB(O)O)on1	2255668592	BRQIDNGEXDJFSB-SECBINFHSA-N	248.047	-0.338	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1C	2255677627	JULBISVRWCBCJG-NSHDSACASA-N	243.071	-0.477	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)c[nH]2)ncn1	2255680381	RCYLTZPNEJJFQI-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C=CCCCCNC(=O)c1ccc(B(O)O)cn1	2255717603	LFPPEFLVKGDARP-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1cncc(B(O)O)c1	2255717797	ONTTVBLCCLQISP-QPUJVOFHSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2255725124	KVXCORSUTUUJBQ-BDAKNGLRSA-N	246.075	-0.757	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1coc(B(O)O)c1	2255728989	OPVNKKZQJGWVLA-CDDJKKQXSA-N	247.059	-0.656	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1c(C)cccc1B(O)O	2255730432	MCDZCQJZRBRPBA-NXEZZACHSA-N	249.075	-0.808	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H](O)Cc1ccccc1	2256670799	JYBQFBDAFVNRSC-NSHDSACASA-N	249.075	-0.726	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258123278	MTLMGIPYUNGZJH-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
C[C@@]12CC[C@H](Nc3ncc(B(O)O)cn3)[C@@H]1C2	2298224650	VKCNXTDKBQTHND-QXEWZRGKSA-N	233.080	-0.243	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369472	VUQVSKJLIMZQAK-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)C1(CN2C[C@@]3(CO)CC[C@H]2C3)CC1	2299769513	DZMCVRVODLGTED-GXSJLCMTSA-N	239.319	-0.397	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCO[C@H](C#N)C1	2302025151	YJNDMQAPNJZRPE-VHSXEESVSA-N	240.307	-0.241	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2noc(C3CC3)n2)C1	2303099467	OHHVSVZGRFHADG-QMMMGPOBSA-N	237.068	-0.004	50	10	BBGE	
CC[C@@](C)(CN1CC(N(C)OC)C1)C(=O)NN	2303409284	AWIQZEDSNMPALQ-NSHDSACASA-N	244.339	-0.430	50	10	BBGE	
CC(C)[C@@H](CO)Nc1cc(B(O)O)c(F)cn1	2303834152	AOXDIMWFDZAGOV-SECBINFHSA-N	242.059	-0.671	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303835545	YLOQPZNSGLRAMT-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)c(F)cn1)[C@H](C)O	2303835873	DJMNVMLQMISBBG-IMTBSYHQSA-N	242.059	-0.528	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	2304191190	SKMVGQNORIPVLR-OGBGREFGSA-N	241.335	-0.296	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(B(O)O)c[nH]1	2312848134	OAJSNRFLOJOJOY-XKSSXDPKSA-N	246.075	-0.611	50	10	BBGE	
C[C@@H](CN)CCOc1ccc(B(O)O)cc1C#N	2317160233	BHAYLDAJFZTBES-SECBINFHSA-N	248.091	-0.398	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cc2C#N)CC(O)C1	2317160563	FPLBRQILQXGHKY-UHFFFAOYSA-N	246.075	-0.437	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@@H]2C[C@H](C1)O2	2317168689	XOBZKERLWFZNFN-PHIMTYICSA-N	244.059	-0.784	50	10	BBGE	
CNC(=S)/C(C#N)=C(/N)N1CCN(C)CC1	5566378	BMXMHGCHHFOGAT-HJWRWDBZSA-N	239.348	-0.526	50	10	BBGE	
CN(N)C(=O)c1nc(Cl)c(N)nc1N	39319923	UVLGMWBLGNTVCO-UHFFFAOYSA-N	216.632	-0.760	50	10	BBGE	
C[C@H](CS(=O)(=O)N1CCCCC1)C(=O)NN	41303658	VJWOMTRRZRTDRC-MRVPVSSYSA-N	249.336	-0.572	50	10	BBGE	
CO[C@H]1CCC[C@H](OCC(=O)NN)C1	70543750	JVMVLRFTVZWVFA-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CN(CCc1ccccn1)CC(=O)NN	82466672	NSRXATOZHAVMNB-UHFFFAOYSA-N	208.265	-0.454	50	10	BBGE	
NNC(=O)CCCCN1CCC(N)CC1	82470849	PSOSEGDPBSSMNF-UHFFFAOYSA-N	214.313	-0.430	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	94468150	HNXDCZMGHAVPRE-MNOVXSKESA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)c1coc(Cn2cc(C(N)=O)cn2)c1	110601655	PCMZWQLQJLGRBJ-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](CC(=O)O)C1	149147266	MRWQIUHNWGATAE-ZETCQYMHSA-N	215.253	-0.031	50	10	BBGE	
C[C@](CNC(=O)CCl)(CC(=O)O)C(=O)O	170313813	UYHISURYDCMKHJ-MRVPVSSYSA-N	237.639	-0.093	50	10	BBGE	
CC[C@H](N)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228744058	UKLOBLRTOKQKPK-YIZRAAEISA-N	247.364	-0.006	50	10	BBGE	
CNC(=O)CCNS(=O)(=O)CCCl	232299238	BGAIGYBVJJGKHH-UHFFFAOYSA-N	228.701	-0.719	50	10	BBGE	
COCC1(C(=O)NN(C)C)CCNCC1	234611482	BVYHZVYAAUYQOY-UHFFFAOYSA-N	215.297	-0.405	50	10	BBGE	
CSCCCCCNC(=O)C(=O)NN	235080419	IVUTVGPVQMFCCC-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
NC(=O)NNC(=O)c1ccc([N+](=O)[O-])s1	236185146	DRHLOGAIXXTARS-UHFFFAOYSA-N	230.205	-0.031	50	10	BBGE	
CSC1=C(C#N)C(=O)NC(=O)CN1C	238413086	ARUSSBRKGDVFRM-UHFFFAOYSA-N	211.246	-0.327	50	10	BBGE	
OB(O)c1ccc(O)nc1Br	238624488	UQOXOZIOZAHBDL-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
CCN(C[C@@H]1CCCO1)[C@H](C)C(=O)NN	249828117	NXWBLTFIKCULRX-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H](C)COC	249973644	POHKTOLFIBKHRY-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc2c(c1)CCO2	259072592	YJJPJVIHYVVVAQ-VIFPVBQESA-N	221.260	-0.519	50	10	BBGE	
OB(O)c1nccc(O)c1C(F)(F)F	307028681	MYSMTCXCDKBNTO-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](O)CC1	378796321	QREWBWDCSUWAQS-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1cnn(C)n1	379875988	AFDYFNXZJWWEET-SSDOTTSWSA-N	232.671	-0.315	50	10	BBGE	
CC(=O)OCC(/C=C\C=O)=NNC(N)=O	383921903	LDJGIVBVYHPNNJ-OBUMRVHMSA-N	213.193	-0.671	50	10	BBGE	
C[C@H]1C[C@H](O)CN1[C@H](C)CCC(=O)NN	384992000	CUGKPNUQVSWIAU-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CO[C@]1(C)CCN(Cc2ccccc2B(O)O)C1	385935096	LIEIPQXXQNFOGH-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CCCCC(=O)NN)C1	401697250	KQQBBJNKFJCSMW-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CCC(=O)N(C)Cc1cccc(B(O)O)c1	404946353	OMLHTTIAHADGLW-UHFFFAOYSA-N	221.065	-0.265	50	10	BBGE	
COCC(=O)Nc1ccc(C)cc1B(O)O	404956959	YRDWQVAWTBGJIK-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cccc(B(O)O)c1	584992581	MYPOURQSISRIJY-NSHDSACASA-N	233.076	-0.009	50	10	BBGE	
COC[C@@H](C)CN1CC[C@@H](B(O)O)C1	585076125	LCDHFSYKIILWHH-DTWKUNHWSA-N	201.075	-0.182	50	10	BBGE	
COc1nccnc1CN1CC[C@@H](B(O)O)C1	585076589	OSAMNDFSMWPJCE-MRVPVSSYSA-N	237.068	-0.466	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@@H](C)CC(=O)NN)C1	689049225	SYGRFMQBQZPTPK-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@@H](C)O1	689158381	BQNLENKWTZPCTE-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CCCN(CC1)C2	691489948	DHSUTNUJFDKLLG-LLVKDONJSA-N	226.324	-0.606	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](C#N)C1	693907913	QQXUBFZQZXPZTC-BDAKNGLRSA-N	226.280	-0.773	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N2CCCC2)C1	697798082	FOJCERFVVKWYIU-JTQLQIEISA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)CN1CCO[C@H](CC(F)(F)F)C1	698222681	XFSHINJWTVFXKR-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
COCCOc1cc(C)ccc1B(O)O	699672748	VEAKWUMACHXURX-UHFFFAOYSA-N	210.038	-0.300	50	10	BBGE	
O=C(NCB(O)O)c1ccoc1Cl	702027975	BDPAXWHVOQRTCY-UHFFFAOYSA-N	203.390	-0.325	50	10	BBGE	
C[C@H]([C@@H]1CCCCO1)N(C)C(=O)C(=O)NN	706004643	GVZJQAMGIMNVFO-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCn1cccn1	707430938	NXCRJJXYMLFMBG-NXEZZACHSA-N	239.323	-0.171	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCSC1	718253288	FBKYCFHUTUUAJO-BDAKNGLRSA-N	247.364	-0.324	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(=O)NN)CCO1	721476370	AFZJMHOKROLVFP-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CC(C(=O)NCB(O)O)C[C@@H](C)O1	724375719	MLLPEFRVNPVBSK-RNFRBKRXSA-N	215.058	-0.682	50	10	BBGE	
C#CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	753884562	GRCUTJPOEVXJAG-UHFFFAOYSA-N	233.183	-0.011	50	10	BBGE	
C=CCOCC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862888003	HIQSAHBJSPFAKJ-RKDXNWHRSA-N	242.275	-0.096	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCCN1C(C)=O	868242574	RSOXZCDJGAJIIZ-JTQLQIEISA-N	243.307	-0.393	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NN=c1cc[nH]cc1	1466786324	QRRIFRQHBVEKNL-ARJAWSKDSA-N	234.259	-0.409	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnc2ccnn12	1583711289	ATIQZDJHEWDJJD-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc(CO)nc1	1640026353	QRDXSBLBIQNKDF-QMMMGPOBSA-N	239.275	-0.469	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1cc(C)nc(N)n1	1650667209	BSDIEJINABLMQE-JTQLQIEISA-N	237.263	-0.253	50	10	BBGE	
O=C(Cn1cnnc1)NOCCCl	1883018119	FMTAUDLMYPXTPU-UHFFFAOYSA-N	204.617	-0.435	50	10	BBGE	
O=S(=O)(CCCCl)NCCC#CCO	1892497798	WMKLSMCHMLIGNU-UHFFFAOYSA-N	239.724	-0.080	50	10	BBGE	
NNC(=O)CCO[C@H]1CCOC[C@H]1F	1893527895	PHZINUDYHFPSRI-RQJHMYQMSA-N	206.217	-0.490	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@H]1C(=O)O	1894357616	QDBOXDVWTAXFSY-FXQIFTODSA-N	227.264	-0.032	50	10	BBGE	
C=C(COC[C@@H](COC)OC)B(O)O	1895190478	FEWSBOVYNPMXCT-MRVPVSSYSA-N	204.031	-0.767	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCn1ccnc1	1896159748	JXBYWZJWBKTLQE-DTWKUNHWSA-N	224.264	-0.474	50	10	BBGE	
C[C@H](CN1C[C@@]2(CO)CC[C@H]1C2)C(=O)NN	1900037591	XYEOVASAKRQNDL-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CC1CNC1	1901375798	QZLRZECRVAFBGF-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCS(=O)CC1	1901757888	WWHQBHRNMDIZPR-VIFPVBQESA-N	247.364	-0.401	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC(=O)NC2CC2)C1	1902511101	FGSFUPOQZRMDIU-SNVBAGLBSA-N	226.085	-0.796	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2COCCO2)C1	1902549650	DENGRTHTKOHVOZ-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CNC(=O)C2)C1	1902551570	RPXISINYXBQMOB-WPRPVWTQSA-N	226.085	-0.939	50	10	BBGE	
Cc1scc(C(=O)NC[C@H](C)F)c1B(O)O	1902865640	VTLOLCNWIDGWKL-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
CSC1CN(c2cc(B(O)O)c(F)cn2)C1	1903010778	STIIYOUVXYJFSI-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccc(-n2cncn2)nc1	1906057364	SBYIRDWSNWKSIT-WCBMZHEXSA-N	230.231	-0.453	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CCC[C@@H]32)n1	1908819687	UAUTUQGTJMMNLK-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCN=[N+]=[N-]	1912156374	MCLGHANNSHIDCI-UHFFFAOYSA-N	228.256	-0.214	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC1(O)CCC1	1914571170	AGRBKHGNHDOHFM-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1OCC[C@H]1SCCOCC(=O)NN	1928181197	KYJKYAHWKOZKSW-HTQZYQBOSA-N	234.321	-0.097	50	10	BBGE	
O=C(NNCCO)c1cc(O)ccc1F	1929837102	UTMGZVQXERNEFO-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@]1(C)CO	1932967279	LPKAKJCBCLQXNY-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H](C)O1	1936089345	UPTVJCNSEORBNH-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936092695	YYIGASKABLIEBM-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CN1CC[C@]2(CCCO2)C1)C(=O)NN	1936297796	SHXMKCQPDBWXOR-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
COCCN1C[C@@H](Cl)[C@H](c2nnn(C)n2)C1	1939854267	LFIYZOQLLKCSOV-HTQZYQBOSA-N	245.714	-0.137	50	10	BBGE	
CCN(CC)C1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941089658	WYRDRWVOLLWBKL-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H](CCO)C1	1941784108	JRXDDMHAVFPBMO-SNVBAGLBSA-N	245.323	-0.913	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)[C@@H]1C(N)=O	1942617296	XCNUEHHUPFSJKO-MRTMQBJTSA-N	242.323	-0.659	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H]2C(N)=O)CC1	1945883298	XATOXQHVCNZGJH-MRVPVSSYSA-N	240.307	-0.904	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)CC1	1951025424	HXSBZBWFPRZBAB-UTLUCORTSA-N	239.319	-0.398	50	10	BBGE	
COC1CN(S(=O)(=O)N(C)CCCl)C1	1955761058	GWTVXZPDUZRUGZ-UHFFFAOYSA-N	242.728	-0.268	50	10	BBGE	
CCn1nnnc1CNS(=O)(=O)CCl	1956730284	WDDGYVMNTZEUES-UHFFFAOYSA-N	239.688	-0.691	50	10	BBGE	
OB(O)c1cnc(N2CCC2)c(Cl)c1	1956966269	SHLOROGBWSYHSC-UHFFFAOYSA-N	212.445	-0.375	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN[C@H](CCO)C1	1957243506	GBMSMLZCUGMNID-RKDXNWHRSA-N	217.700	-0.226	50	10	BBGE	
NNC(=O)C(=O)NCC1(F)CCCCC1	1957467904	NMOHKTLYFNFTFX-UHFFFAOYSA-N	217.244	-0.235	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1959194147	DOJUKIDALDIIAW-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC1(O)CC(N=c2[nH]c(CCl)nc(=N)[nH]2)C1	1976106745	ZODGISFKOWHQBK-UHFFFAOYSA-N	243.698	-0.230	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCOC(C)(C)C1	1977314467	PDSOSQVZSCFMTO-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@H]1C2	1980348374	IQOHJLRXINSOKO-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O[C@H](CCl)CN1CCCN(C2COC2)CC1	1980640025	UEEVKPRVBVZUGA-LLVKDONJSA-N	248.754	-0.007	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	1980981460	VUTAOHVZUGXYND-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](Oc1ncncc1B(O)O)C(F)(F)F	1981422700	SEVNDGNWRISDSW-SCSAIBSYSA-N	235.958	-0.514	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@H]1C	1981426668	PKZXGVAHCIREOE-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
CC[C@H]1CCN1c1ncc(B(O)O)c(C)n1	1981447072	IGEHITMVKACPJL-QMMMGPOBSA-N	221.069	-0.546	50	10	BBGE	
CCC(CC)Cn1cc(B(O)O)ccc1=O	1984102753	WPDKZCZYPHPJBL-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC[C@H]2O)C1	1984543302	RUSCMFQIRUCVHQ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
Cc1cc(N2CC[C@@H]2CF)ncc1B(O)O	1986085046	RKTUQCMAZNPXMS-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
N#CC1=CCN(c2cnnc(NN)n2)CC1	1986425428	JLAPBLMCIOKJIR-UHFFFAOYSA-N	217.236	-0.183	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1ncccc1B(O)O	1987863666	YLPWDXBWRLPDQD-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C2CC2)C1	1990775278	UCYSPNCEMFSNOX-SNVBAGLBSA-N	225.292	-0.114	50	10	BBGE	
CC1(C)[C@@H](O)[C@H](O)CN1C(=O)C=CC(=O)Cl	1991650296	BGMQQGNLMCPSCZ-MUWHJKNJSA-N	247.678	-0.349	50	10	BBGE	
Cc1nn(C[C@@H]2OCC2(C)C)c(C)c1B(O)O	1998270426	LEGZMZWKGOUNMZ-VIFPVBQESA-N	238.096	-0.395	50	10	BBGE	
CCN1CCN(CCOCC(=O)NN)[C@@H](C)C1	1998400586	HGTRZWQRPNNHEU-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CC[C@H](O)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	1999420318	CYGMYGHKDSISME-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@@H](O)C[C@H]21	2001967679	RKNXQAFTAYBYGU-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CC1(C)CO[C@@H](CO)CN1CCCC(=O)NN	2002289318	DASKMNGKIOAEFA-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@@H]3C2)n1	2003510319	TVUBMDIXGXDRDO-HTQZYQBOSA-N	235.291	-0.525	50	10	BBGE	
CCOCCCOc1ccc(B(O)O)c(C)n1	2004925831	WBAMRKHGAGXOAQ-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@@H]3C2)c(B(O)O)c1	2005016381	OJWYLTMHVIBUGA-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2005806541	KSGOYFLGJHRYPM-BHQVJMJVSA-N	235.287	-0.521	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]1(C)COCCO1	2005978258	RVBOADVPXSUDLW-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cnn(CCCOCC2CCC2)c1	2012716233	GITDKBPMUFDROG-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@@H](C3)C2)CC1	2015197988	SXPQGNOMQBZTIT-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cccn1C	2019217706	BBBAYFOKPXPUDK-UHFFFAOYSA-N	238.291	-0.376	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2C[C@H]21	2022196645	PEXPLPCWTGLZFZ-GXSJLCMTSA-N	231.060	-0.399	50	10	BBGE	
Cc1ncnc(CN(C)[C@@H](C)C(=O)NN)c1C	2025895618	NCLOAPXJALKXQX-VIFPVBQESA-N	237.307	-0.096	50	10	BBGE	
CN1CC2(C1)CN(Cc1ccc(B(O)O)cc1)C2	2034804964	NMFNLYKIDCVGPB-UHFFFAOYSA-N	246.119	-0.886	50	10	BBGE	
CCOc1ccc(B(O)O)c(F)c1[N+](=O)[O-]	2060125239	KARBPIUBLNSFEY-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCOc1cc(C#N)cc([N+](=O)[O-])c1B(O)O	2060210113	XEWJALWRZLXEIP-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCc2ccccc2B(O)O)C1	2063788980	GNPLVRGHZJECDP-TXEJJXNPSA-N	249.119	-0.024	50	10	BBGE	
COc1cccc(C(=O)NCC#CB(O)O)c1O	2077483123	MQYJMDJGGDPYKL-UHFFFAOYSA-N	249.031	-0.854	50	10	BBGE	
C[C@@H]1C[C@@H]1OCc1nscc1B(O)O	2209702147	GEYJONGCCKGDJC-XRGYYRRGSA-N	213.067	-0.252	50	10	BBGE	
OB(O)c1csnc1CN1CCCC1	2209702182	GRKZQRMGONIAIV-UHFFFAOYSA-N	212.083	-0.581	50	10	BBGE	
C#C[C@@H]1CCN1c1cc(B(O)O)c(C)cn1	2212605958	MJFKAGKTQUMZML-SECBINFHSA-N	216.049	-0.718	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213025290	JVEWQQITFYTBTO-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215770140	AEHARMQCTWLUTD-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
CN[C@@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2217165994	KGGBEPNKVOWLJR-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
CC[C@@](C)(CNc1cc(B(O)O)ccn1)OC	2217178373	VHXSXWWOPXPJTQ-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
Cc1cnc(NC[C@H]2C=CCN2)cc1B(O)O	2217180632	IPJQIUVKGGUKPT-SECBINFHSA-N	233.080	-0.990	50	10	BBGE	
OC[C@H]1C[C@H](Nc2nccc(B(O)O)c2F)C1	2217182706	GKMPWMLSGRMLHY-LJGSYFOKSA-N	240.043	-0.917	50	10	BBGE	
CC(C)(CCN)Oc1nccc(B(O)O)c1F	2217186340	IZRSIBGKIUPWNG-UHFFFAOYSA-N	242.059	-0.593	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1nccc(B(O)O)c1F	2217186775	OYJGEKCNDSCKNV-BQBZGAKWSA-N	242.059	-0.595	50	10	BBGE	
C#CC1(Oc2nccc(B(O)O)c2F)CCC1	2217191859	VDVYFROVOHIKFJ-UHFFFAOYSA-N	235.023	-0.165	50	10	BBGE	
C[C@H]1CCC=C[C@H]1Nc1ncc(B(O)O)cn1	2217197525	NIQSTRARKHTIAB-WCBMZHEXSA-N	233.080	-0.077	50	10	BBGE	
CN(Cc1ncccn1)C[C@@H]1CC[C@@H]1C(=O)NN	2221561067	JWCAQDUFUULFDO-UWVGGRQHSA-N	249.318	-0.076	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)C[C@H]2NCC[C@@H]21	2223618459	AFNFKCRNPDWCSH-XRNSZHNASA-N	248.091	-0.719	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223638810	ZJAPWTGNMPNOJJ-WPRPVWTQSA-N	249.123	-0.328	50	10	BBGE	
Cc1nc([C@@H](C)Nc2ncccc2B(O)O)n[nH]1	2223644773	NKUISIKFEHSZNQ-ZCFIWIBFSA-N	247.067	-0.639	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(c2ncccc2B(O)O)C1	2223670096	SNXBRAMKFFKFDY-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(F)F	2241474751	KGMGBUJNDCXQJJ-YUPRTTJUSA-N	206.985	-0.381	50	10	BBGE	
CCN(C)C(=O)c1csc(B(O)O)c1	2241480818	MJHBUHTVVCRGCN-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
O=C(NOCCF)C1CC(B(O)O)C1	2241494635	ANCZHOYMQOTXQC-UHFFFAOYSA-N	204.994	-0.743	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2242807334	DVFNXJNTLXIQEZ-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ccoc1B(O)O	2243350162	WSIUBXUFJMZQNE-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
CN1CCCN(C(=O)C2(B(O)O)CC2)CC1	2243363586	JGSLLJXYASBUFI-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
CCN(C)C(=O)c1nc(C)ccc1B(O)O	2243364277	UKIYSLWNIUYSGG-UHFFFAOYSA-N	222.053	-0.838	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2243409043	AGBTZVGTTXLVRA-SECBINFHSA-N	227.069	-0.369	50	10	BBGE	
CC(C)(O)CCCNC(=O)C1(B(O)O)CC1	2243410999	LZFMTAIBIOFTIE-UHFFFAOYSA-N	229.085	-0.339	50	10	BBGE	
C#C[C@@H](CCC)NS(=O)(=O)CC(=C)B(O)O	2243420567	VPJOUBCSXWLVGC-VIFPVBQESA-N	245.109	-0.724	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)cs1	2243420778	ZIPNEWUVQQUJRX-MRVPVSSYSA-N	237.089	-0.431	50	10	BBGE	
C[C@@H](CC(=O)O)NC(=O)C1CC(B(O)O)C1	2243752992	PDEUVAOJLOFFMG-VTSJMVTISA-N	229.041	-0.781	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2245144723	XTDYDIGBAYBTEB-XSPKLOCKSA-N	227.069	-0.779	50	10	BBGE	
CN(Cc1cccc(O)c1)C(=O)C#CB(O)O	2247741753	FGCDALNSQVSBLC-UHFFFAOYSA-N	233.032	-0.634	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)C1(B(O)O)CCC1	2247753265	DTALACUEDHQYEO-HLTSFMKQSA-N	239.080	-0.323	50	10	BBGE	
C[C@@]1(CCNC(=O)C2CC(B(O)O)C2)CCN1	2247800187	LZSRBSGSBMDOLM-NWGYLPEXSA-N	240.112	-0.502	50	10	BBGE	
CC(C)n1ccc(=NC(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247809782	RIDDKZWXQLICMO-HTQZYQBOSA-N	237.068	-0.313	50	10	BBGE	
CCN[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810064	UKAMVQCJIZMWHH-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](CCCO)C1	2247840975	CYKZHXRNDFVZIO-JTQLQIEISA-N	239.080	-0.987	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247846786	MEFOLYOLBZUOGX-LURJTMIESA-N	246.022	-0.532	50	10	BBGE	
O=C(N[C@H]1CC[C@]12CCCO2)C1(B(O)O)CC1	2247854186	YJGHFDKDQKOXEF-GZMMTYOYSA-N	239.080	-0.179	50	10	BBGE	
CNCCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247855547	ULDCBIHIVBPTIF-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)O2)C1(B(O)O)CC1	2247878071	HKOKKVXSLUQXAL-CBLAIPOGSA-N	239.080	-0.180	50	10	BBGE	
C[C@H](CCNC(=O)C1CC(B(O)O)C1)N(C)C	2247893808	YQGMUQVPATUDOY-XNWIYYODSA-N	242.128	-0.304	50	10	BBGE	
N[C@@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247895338	RGFBDRFWNLRXLD-TURQNECASA-N	238.096	-0.811	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247897125	OFRBKBIIQPJZCZ-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCn2nccc2C1	2247899501	NPQVNSLKIPDMEN-BDAKNGLRSA-N	235.052	-0.912	50	10	BBGE	
O=C(NCC12CC(CN1)C2)[C@H]1C[C@@H](B(O)O)C1	2247901833	APQYFGYNVMWMNS-SNWHPCCYSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(B(O)O)cc1F	2248441979	UYCDGOYPGPQGHJ-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
COC[C@]1(C)C=CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248694494	VJEPTSPXZOJTSB-QXEWZRGKSA-N	239.080	-0.347	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)CC1COC1	2249024022	STGZAROWYKRMTM-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
O=C(NCCCC1(O)CC1)C1CC(B(O)O)C1	2249260104	UJIJTOBKNIUNGB-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1CC[C@H](O)C1	2249343500	PZWJCQSRDOEDOY-VIFPVBQESA-N	242.084	-0.888	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1cc(B(O)O)co1	2249410557	ZCUJCWDQGZVYQW-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@H]1C	2249419326	GAGUIRPMMXNXHI-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCN1	2249945594	QCZYLTYRJVAAMG-QEYWKRMJSA-N	240.112	-0.504	50	10	BBGE	
COC1(CC(=O)NCCC#CB(O)O)CCC1	2250003493	YHLNKZIDQZSLAG-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
CC1=CCN(C(=O)c2cc(F)ccc2B(O)O)C1	2255504558	IRYDWNNKOWXJLI-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#CC1CN(C(=O)c2cccc(B(O)O)c2C)C1	2255513441	RCFCSNSNBNHILC-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ncccc1B(O)O	2255516474	MEVLFNATRRGGEN-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255528389	AWNMQMHLDNXLEL-PWSUYJOCSA-N	248.091	-0.320	50	10	BBGE	
CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2255569955	AWRROIZWEVYEHV-MNOVXSKESA-N	248.091	-0.055	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC[C@H]2C[C@@H]21	2255689551	MSOKQNGXYXDBKU-XVKPBYJWSA-N	249.050	-0.260	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC[C@@H]2C[C@@H]21	2255747018	CYGUJJVLDDYJHL-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1cocc1B(O)O	2258136401	LHKALVPGOXTDPC-LDYMZIIASA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cocc1B(O)O)N(CC1CC1)C1CC1	2258137640	ZIOZAVIHHCNLNG-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1cc(B(O)O)co1	2258139224	UIYHMTTVUCVXBL-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=CC12CCC2	2258153948	ZMIYXHAWZOCTRI-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)c(C)cn1	2258960308	DENATLUGUZSACJ-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
O=C(Cc1ccc(F)cc1)NCCC#CB(O)O	2258962516	HXDZTMSPDLJNDB-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ccc(B(O)O)cn1	2260398613	DZEAROPTXQXDBD-VIFPVBQESA-N	248.091	-0.297	50	10	BBGE	
C[C@@H]1CCN(CCNc2cc(B(O)O)ccn2)C1	2261462422	LNWUUNCHWOBYNK-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ccccc2C[C@H]1CO	2264320825	YCHSHGSTUMZDDT-SKDRFNHKSA-N	249.314	-0.216	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2COCC[C@H]21	2298165546	IRSFCFWPKGDDPH-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368874	ARTVWPZCRPFVKC-YIZRAAEISA-N	237.068	-0.749	50	10	BBGE	
C#CC#CC1CN(C(=O)C2CC(B(O)O)C2)C1	2300113635	PTVJKMGBMZXUIU-UHFFFAOYSA-N	231.060	-0.666	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2302049776	KMIRSIGBPVBLPY-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
CCN(CC)C(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	2303099584	PMLHPIHCLSGHIT-ZJUUUORDSA-N	242.128	-0.208	50	10	BBGE	
CCN1CCC[C@@H](N2CC[C@H](B(O)O)C2)C1=O	2303157539	AAEJZYKULUEXHK-VHSXEESVSA-N	240.112	-0.454	50	10	BBGE	
COC[C@@H](CF)Nc1cc(B(O)O)c(F)cn1	2303834672	JWUMWGVBAXLUHB-ZCFIWIBFSA-N	246.022	-0.703	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1ncncc1B(O)O	2307405493	JOBILOKZYJLYGS-ZKCHVHJHSA-N	239.059	-0.659	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	2312848029	GOLNEIAXPZAQRD-UGCHFJIKSA-N	247.103	-0.105	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2312848155	QHSGRIWYDKVNKZ-LNSPPBFMSA-N	247.103	-0.057	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1c1ccc(B(O)O)cc1C#N	2317151579	SFYMDMYXPWMRJI-PRHODGIISA-N	246.075	-0.802	50	10	BBGE	
Cc1nc(C)c(/C=N/NC(N)=O)c(O)n1	17173579	WESVGNWDMQXTNE-XCVCLJGOSA-N	209.209	-0.199	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCNC(=O)C1	34963407	HUDMLBDMZZVWIS-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
C[C@@H](Cc1ccco1)NC(=O)C(=O)NN	42595718	YLFDAQHXWLZRSC-LURJTMIESA-N	211.221	-0.683	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)on1	42960340	UOTUXHYPSASETH-SSDOTTSWSA-N	239.231	-0.077	50	10	BBGE	
C[C@@H](CNCCCCCO)C(=O)NN	58837504	BBLACFVWKUVCQV-QMMMGPOBSA-N	203.286	-0.635	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN1CCCC1	82469059	HALQGHHDDNJOBA-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C(C)C	82470808	YJKUEPGDSIHBMB-QMMMGPOBSA-N	203.286	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)[C@H](C)C1	82485303	CPYPCEZUDYQKQS-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=S)cn1	83590906	WRSQFHWTPKCFOG-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1cc[nH]n1	104447744	WCOQRHZCSNQKRM-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
CCOC(=O)Nc1cccc(B(O)O)c1	197006105	XDTOCWNQGOYGSY-UHFFFAOYSA-N	209.010	-0.065	50	10	BBGE	
CCC[C@H](N)C(=O)N[C@H](CCl)C(=O)O	209511092	HKHSYFRVFBSWOT-NTSWFWBYSA-N	222.672	-0.078	50	10	BBGE	
Cn1cc(OCc2ccc(C(=O)NN)cn2)cn1	227957534	PZCRLGAZHYOIKZ-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
CCOCOc1ccc(OC)cc1B(O)O	228666030	COWWDRPJHCTOPT-UHFFFAOYSA-N	226.037	-0.252	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)ccc1F	229338024	JFPHGIKNEZUIIN-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](OC)C1	230357476	LLHBEDCTQSSZCP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COC1CCN(c2cccc(B(O)O)c2)CC1	231464374	DUBLZYRUPFHFFP-UHFFFAOYSA-N	235.092	-0.018	50	10	BBGE	
O=C(CCl)NC(=O)NCCc1ncon1	231838102	SGXDUOBSNQIQQY-UHFFFAOYSA-N	232.627	-0.323	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)[C@@H]1CCOC1	234539833	SSVSQTRUSUIJQU-RQJHMYQMSA-N	235.667	-0.081	50	10	BBGE	
CCO[C@@H](OC)c1ccc(B(O)O)cn1	238261144	GNYRJPWFKOJWLM-SECBINFHSA-N	211.026	-0.557	50	10	BBGE	
NNC(=O)CC(=O)Nc1cccc(O)c1	238655417	FSFUPBVFPJHJHF-UHFFFAOYSA-N	209.205	-0.289	50	10	BBGE	
NCCN1CCN(C(=O)OCCCl)CC1	243104856	JDCANDSJAWOZHQ-UHFFFAOYSA-N	235.715	-0.062	50	10	BBGE	
NC[C@@H]1CCN([C@H](C(=O)NN)c2ccccc2)C1	250248295	VOHTYEXHVIUELI-JQWIXIFHSA-N	248.330	-0.002	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1COC[C@H]1O	307493816	AZJZOLNEWWFFAB-DSYKOEDSSA-N	207.657	-0.263	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1CCC(=O)NN	379873892	RUEJYIQNAGVKKY-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](C)[C@H]1C	380351029	YXHGGCPBCALAFN-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
COC1(C)CN([C@H](C(=O)NN)C(C)C)C1	382600279	QUQIRCFOJBOHEI-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382961166	ONSOOXGWOIPNGS-HTQZYQBOSA-N	233.312	-0.918	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CCC(C)(C)C(=O)NN	384793434	ZNXPZZHPPFTXLI-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
Cc1nccn(CCC(C)(C)C(=O)NN)c1=O	395620319	VMPVBXNTQMHNPJ-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
C#CCOC(=O)Nc1ccccc1B(O)O	405063548	GAKQQEZZSAKPGV-UHFFFAOYSA-N	219.005	-0.452	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)NC1CC1	405072052	CLSLHDLRXIZMFG-UHFFFAOYSA-N	221.025	-0.955	50	10	BBGE	
C[C@@H](NC(N)=O)c1ccc(B(O)O)cc1	405190579	UJYMSZYHHPRVAB-ZCFIWIBFSA-N	208.026	-0.904	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCSC1	689622837	VOPSCLDORSRQGB-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
CC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	692113135	IGSLHGLMLXVERO-MRVPVSSYSA-N	211.265	-0.399	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(C#N)C1)C(=O)NN	693997556	MUXRUXMCTXUYSD-SCZZXKLOSA-N	210.281	-0.152	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)[C@@H](COC)C(=O)NN	698362349	NGEQXOQMAQWADO-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@H](CCF)C1	700559160	CMQNDNZYHMBOCY-VIFPVBQESA-N	233.287	-0.183	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1cccnn1	703476031	GIPGCQVDZRIBRK-RKDXNWHRSA-N	233.227	-0.107	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@H]3CC[C@H]2C3)n1	703649445	HKDHRQHRBOVDSY-LPEHRKFASA-N	220.081	-0.001	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@H](CO)C1	708123265	DXDCIZSLWIVNDK-IVZWLZJFSA-N	229.324	-0.439	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)[C@@H](C)C1)C(=O)NN	708123295	FGRSCUDDHCBHRC-YIZRAAEISA-N	215.297	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1CCc2c(B(O)O)cccc21	712263778	WSEBKDKYMANLDS-SCZZXKLOSA-N	245.087	-0.089	50	10	BBGE	
CN1CCC([C@@H]2OCC[C@H]2C(=O)NN)CC1	721313114	DOVHPGZEXHBIJK-ZJUUUORDSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2COCC[C@@H]2C1	724223116	DCBTWXAUYCAHGX-HRDYMLBCSA-N	241.291	-0.702	50	10	BBGE	
Cn1nccc1CC(=O)NNC(=O)NC1CC1	767722686	LBMSHSWKCQHPAP-UHFFFAOYSA-N	237.263	-0.545	50	10	BBGE	
C[C@H](N)[C@@H](C)NS(=O)(=O)CBr	850587992	QRAFMAWHGGYFBV-CRCLSJGQSA-N	245.142	-0.006	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1cn(C)nn1	1118573098	XSMYEOYCGOQIJY-UHFFFAOYSA-N	240.267	-0.902	50	10	BBGE	
COC(=O)CCS(=O)(=O)N1CC(Cl)C1	1188372287	WBKMHGQFVJBZSV-UHFFFAOYSA-N	241.696	-0.198	50	10	BBGE	
COCCN(C)NC(=O)C(C)(C)NC(=O)OC	1297761091	UMDXQYKTUKFCQK-UHFFFAOYSA-N	247.295	-0.270	50	10	BBGE	
COC(=O)CC(=O)NNc1nnc(C)n1C	1350824708	LDZLVRYFQBSENF-UHFFFAOYSA-N	227.224	-0.870	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(C)(C)C#N)nn1	1351043974	ALFQGMVBNNIWGH-UHFFFAOYSA-N	236.235	-0.874	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1nsnc1O	1463692167	WCTYCDWFGBQRKQ-UHFFFAOYSA-N	230.249	-0.339	50	10	BBGE	
C=CC(C)(C)C(=O)NNC(=O)[C@@H]1COCCO1	1524183965	VKCQSWYJYXVDBV-QMMMGPOBSA-N	242.275	-0.239	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cccnn1	1633305625	DTPHWZLNHDALQW-SNVBAGLBSA-N	236.231	-0.825	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1CCc2n[nH]cc2C1	1651058682	GWXDAFHDHWPNTK-ZCFIWIBFSA-N	247.262	-0.224	50	10	BBGE	
O=C(O)CN(CC(=O)O)NC(=O)c1ccco1	1858081500	PDBSSBUQKKQHTH-UHFFFAOYSA-N	242.187	-0.604	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCC(CO)CO	1882209298	BLQPGKMBNSWCJQ-SSDOTTSWSA-N	209.673	-0.279	50	10	BBGE	
NCC[C@H](O)C(=O)NC[C@H]1C[C@H]1Cl	1883552510	NCBYODLQCBWPIY-QYNIQEEDSA-N	206.673	-0.560	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NNC(N)=O	1884888704	DMXXZWZCGSRORN-NOWQDGDBSA-N	207.180	-0.023	50	10	BBGE	
CC(C)[C@H](C)[C@H](C)NC(=O)C(=O)NN	1888820457	ASQCLENERCGQCX-BQBZGAKWSA-N	201.270	-0.227	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1893108813	VIRDBVSQBRSGRW-FSDSQADBSA-N	220.700	-0.172	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)C1(CO)CNC1	1893129298	UJGSLWXFLZWXMN-BQBZGAKWSA-N	218.684	-0.688	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@H]1CO	1893452939	JJUCPPCIRSQCNP-PRJMDXOYSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H]1SCCC[C@@H]1NC(=O)C(=O)NN	1893762337	QUPVYSFZAZURFW-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1C[C@@H]2O	1895086135	PFCFVBFLLSTJDL-LRPJSKTQSA-N	225.292	-0.933	50	10	BBGE	
C#CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901374380	DEWLWJOJJSSHDW-MRVPVSSYSA-N	247.320	-0.960	50	10	BBGE	
Cn1ncc(P(C)(C)=O)c1C=NNC(N)=O	1902661590	MTCZUALIXODICH-UHFFFAOYSA-N	243.207	-0.330	50	10	BBGE	
C[C@H]1C[C@@H]1COc1cc(B(O)O)c(F)cn1	1903028423	YEGYHUVVSDLMPP-NKWVEPMBSA-N	225.028	-0.065	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3C[C@@H]32)c(F)c1	1907079162	FUGOZBCUKAYUTK-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCO[C@H]3C[C@@H]32)C1	1908359210	TYIZYMPBBNNPAJ-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@]12CCC[C@@H]1C2	1913615324	IXHWQLQNIFINCO-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
O=C=N[C@H]1CCCCN1S(=O)(=O)C1COC1	1923191533	SHNMBMIKDCNCEJ-SECBINFHSA-N	246.288	-0.137	50	10	BBGE	
C[C@H](C=NNC(=O)CO)NC(=O)OC(C)(C)C	1923388879	RZZTULIOZPJUIR-SSDOTTSWSA-N	245.279	-0.006	50	10	BBGE	
COC[C@@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923390486	ADRMZPGJANXOIX-ZCFIWIBFSA-N	244.169	-0.907	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](OCC(N)=O)C1	1928132739	MAUCMEFYHLHEIF-BQBZGAKWSA-N	234.683	-0.284	50	10	BBGE	
CO[C@@H](C(=O)NNCCO)C1CCCC1	1930470618	LVNRRZPFFQUIMW-SECBINFHSA-N	216.281	-0.195	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N2CCC2)C1	1932052586	FWFNRPOISVWQAR-MRVPVSSYSA-N	212.297	-0.855	50	10	BBGE	
OC[C@H](O)C1CCN(C[C@@H](O)CCl)CC1	1932260293	WUGGZAZFLQGGRM-UWVGGRQHSA-N	237.727	-0.349	50	10	BBGE	
CNC(=O)NCc1sc(B(O)O)cc1C	1935197449	WJHDFGCIYFQTHB-UHFFFAOYSA-N	228.082	-0.835	50	10	BBGE	
Cn1nnc(C(=O)N2CC(C)(CCl)C2)n1	1935361318	DZAGNGNGKRJAFO-UHFFFAOYSA-N	229.671	-0.089	50	10	BBGE	
C[C@@]1(OCc2nc(C(=O)NN)co2)CCOC1	1942463845	RQFONCBZTPEYLU-SNVBAGLBSA-N	241.247	-0.026	50	10	BBGE	
O=C(Cc1noc2ccccc12)NNCCO	1944216183	RSDBSOZMLAHWPO-UHFFFAOYSA-N	235.243	-0.017	50	10	BBGE	
O=C(N[C@@H]1CCOC1)N1CC[C@@H](B(O)O)C1	1951322111	UIXGRGFZZKIISE-HTQZYQBOSA-N	228.057	-0.966	50	10	BBGE	
C[S@@](=O)C1CN(C[C@@H](O)CCl)C1	1953700370	LRNUQPNQJOPSRI-PWCHPLFNSA-N	211.714	-0.351	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)CC1=O	1954824052	RONXCTNAANALPP-ZETCQYMHSA-N	206.673	-0.640	50	10	BBGE	
C[C@@H](CCn1ccc(B(O)O)n1)C(F)F	1957934151	DZJKSINHLAIXMW-LURJTMIESA-N	218.012	-0.146	50	10	BBGE	
CC[C@@H](C)N(C)c1ncc(B(O)O)cn1	1961680960	RFVZBQXDWHQMEE-SSDOTTSWSA-N	209.058	-0.609	50	10	BBGE	
CN(c1ncccc1B(O)O)C1(C)CC1	1961694695	RSSXJWGOZPFXMH-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
O=C1NC[C@]2(CCN(C[C@H](O)CCl)C2)N1	1974909674	UUTOSVYJLYEMOC-APPZFPTMSA-N	233.699	-0.657	50	10	BBGE	
CN(C(=O)C(=O)NN)C1C[C@H]2CSC[C@@H]2C1	1976989258	SSCIUYBEMMZKEV-BQBZGAKWSA-N	243.332	-0.424	50	10	BBGE	
CNC(=O)NC1CCN(C[C@@H](O)CCl)CC1	1978821948	NBXSBEFVZJZAGF-VIFPVBQESA-N	249.742	-0.021	50	10	BBGE	
CC[C@@H](C)CN(C)c1ncc(B(O)O)cn1	1981408527	BOLRESBNUNCCDG-MRVPVSSYSA-N	223.085	-0.361	50	10	BBGE	
OB(O)c1cncnc1N1CCCSCC1	1981416275	NHNBMKRIXQTZCU-UHFFFAOYSA-N	239.109	-0.900	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)cn2)OC1	1981584037	VBPJWSJIZKRWKM-SCZZXKLOSA-N	224.069	-0.622	50	10	BBGE	
CCNC(=O)[C@@H]1CNCCN1C[C@@H](Cl)C#N	1982214136	QHDZEQFLPSJRNG-IUCAKERBSA-N	244.726	-0.473	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC=C[C@H]1CO	1985647830	CLLJQHLMLQEMAE-VHSXEESVSA-N	227.308	-0.376	50	10	BBGE	
CCC[C@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	1985956447	VUQXJWBJKJFKKM-YUMQZZPRSA-N	229.280	-0.560	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C[S@@](C)=O)C1	1987038860	UZBKRHQHUJZBNM-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
CNC(=O)N(C)[C@H](C)c1nscc1B(O)O	1987160646	DZHDYJHQEMFFJQ-RXMQYKEDSA-N	243.097	-0.845	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@H]1C1CC1	1990725953	RYHGKYDNSYTAEO-KOLCDFICSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H](F)C1	1990773804	ADKDFLNAOQUGOA-CBAPKCEASA-N	231.271	-0.166	50	10	BBGE	
CCOCCCNC(=O)NCC=CB(O)O	1991331479	PGYUWTSVZUSBDJ-UHFFFAOYSA-N	230.073	-0.720	50	10	BBGE	
O=C(CC1COC1)N[C@H]1CCC=C1B(O)O	1991345993	RRJJPKWTBSKAKS-VIFPVBQESA-N	225.053	-0.760	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)[C@H]3C[C@H]3Cl)C[C@@H]12	1991693047	KYDQUFNPLCLTQY-VWDOSNQTSA-N	242.662	-0.655	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCn2nncc2C1	1991712843	LQYHVEZPLPJZEJ-OWOJBTEDSA-N	240.650	-0.058	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C[C@@H]2C[C@@H]2C(=O)NN)CO1	1996342080	LGGZDIHTOLVBDD-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
COC1(CN(C)CCC(=O)NN)CCOCC1	2001494821	OFAKTFRPAGREQX-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1cncnc1N1[C@H]2CCC[C@@H]1CC2	2004920318	IXEDILKMAOIZAH-DTORHVGOSA-N	233.080	-0.322	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](C(F)F)C1	2004940225	VJISYYYFMXVKET-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
CC[C@H]1CCN1c1ncc(B(O)O)c(OC)n1	2005013823	BGBWISKLSDKENU-ZETCQYMHSA-N	237.068	-0.846	50	10	BBGE	
CCN(CCOC)c1ncc(B(O)O)cc1C	2005015303	YRFJNNKWWUUKBZ-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@@]3(C)C2)ncc1B(O)O	2005017153	AJVRAZUIAMMWLG-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1cnc(N2CC(C(F)F)C2)c(F)c1	2005018345	RWEXXJQKVWGPNW-UHFFFAOYSA-N	245.997	-0.398	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3CC(C3)C2)n1	2005018429	TZUSXUMFYKGPTQ-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006199441	SKDGOFUNAVYOEV-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CCOC(C)(C)Cn1cccc(B(O)O)c1=O	2008840162	ILRSQWOIWPMFCY-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1COC2CC1C2	2011813344	QPUVMFYZMXAHCB-YQTOTIIMSA-N	239.319	-0.278	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1c(F)cccc1B(O)O	2014603152	BNWCICQPWVMAIK-GMSGAONNSA-N	240.039	-0.081	50	10	BBGE	
CO[C@@H]1CCN(c2ncc(F)cc2B(O)O)C1	2014927387	ZXCPYFSLQHLOTR-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC=CB(O)O)[C@H]1C	2020055493	BIRPEPZQRIFJAB-AXTSPUMRSA-N	241.096	-0.270	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2COCC2(F)F)nc1	2020349582	ZKZDFDGDZVGQHF-SSDOTTSWSA-N	244.990	-0.826	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OC)[C@@H](OC)C1	2022124772	VAAOWQYRGHYAOI-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]23CNC[C@@H]2COC3)CC1	2042770702	PXXZDFHEZFOSLH-YPMHNXCESA-N	247.298	-0.095	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3cc(B(O)O)ccn3)C[C@@H]12	2042945247	SZXNYDKLEVQZIS-VFWDIBGWSA-N	246.075	-0.254	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2CC[C@H]2C1	2050246848	KXXZSNATXVQBHH-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCCC[C@H]3C2)nc1	2052469160	MZMCYHAHZXGEPQ-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
Cc1nn(-c2ncnc(C)c2B(O)O)c(C)c1C	2052599025	ZXTQZYIXWYVAOC-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
COc1c(C#N)ccc(Cl)c1B(O)O	2060105838	LNBDSPGAPYDCNL-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c(OC)ccc(C#N)c1B(O)O	2060199771	RRPYHAJRYKYEPE-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
N#Cc1c(B(O)O)ccc(C=O)c1C(F)F	2060230430	MMQCHLWRYHHODH-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
O=Cc1cc(B(O)O)cc(F)c1OC(F)F	2060260979	IYULBAQVNCXBMV-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
NNC(=O)c1cccc(CN2[C@@H]3COC[C@H]2C3)n1	2077820867	PYHCXSBEEKMMMZ-AOOOYVTPSA-N	248.286	-0.342	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	2079008430	JMYHWRFVWAIQJW-KCJUWKMLSA-N	249.075	-0.869	50	10	BBGE	
CS(C)(=O)=NCC1(C(=O)NN)CCC1	2209999523	WAJSJKHDFFGCMP-UHFFFAOYSA-N	219.310	-0.126	50	10	BBGE	
Cn1cccc([C@H]2C(=O)NC(=O)[C@H]2Cl)c1=O	2210240814	XMLCBVQWLJKERB-RQJHMYQMSA-N	240.646	-0.267	50	10	BBGE	
OB(O)c1ccc(COC[C@@H]2CCOC2)s1	2211080226	ZGRDVKHFIMJCPC-MRVPVSSYSA-N	242.105	-0.019	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)COC[C@H]2C1	2211712338	FWXYUKXIXNUUCX-RKDXNWHRSA-N	243.694	-0.340	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2212600933	GJZWIDBVVIQBMO-OCAPTIKFSA-N	222.053	-0.649	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)Nc1ncc(B(O)O)cn1	2212601755	SLHMCMJUQVAXEY-BHNWBGBOSA-N	221.069	-0.387	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@@H]2C[C@H]2C1	2212602162	ZLXWQYOEQGUXMJ-YUMQZZPRSA-N	218.065	-0.028	50	10	BBGE	
CC(C)[C@H](O)CNc1ccc(B(O)O)cn1	2212602253	AWYGNSZPVSBAPQ-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)CCN1C	2216528269	NCXOAURXLCYLEY-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCN1	2217175066	CPPWYFIKWQJGBH-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
C=CC1(Nc2cc(B(O)O)c(C)cn2)CNC1	2217182017	YAVILQVSBINKPX-UHFFFAOYSA-N	233.080	-0.990	50	10	BBGE	
CC(C)N(C[C@H](C)O)c1cc(B(O)O)ccn1	2217194514	AKGDBTNVPIPCHI-VIFPVBQESA-N	238.096	-0.643	50	10	BBGE	
C[C@H](O)C[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2217202988	ODTRIMOCYRTUBW-IUCAKERBSA-N	238.096	-0.998	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1Cc1cccc(B(O)O)c1	2220067296	VAOBATUNSMIRJZ-GXFFZTMASA-N	248.135	-0.322	50	10	BBGE	
Cc1cc(Oc2cc(B(O)O)c(C)cn2)n(C)n1	2223620822	PRCKQBRWYDIDAL-UHFFFAOYSA-N	247.063	-0.096	50	10	BBGE	
CNC[C@H]1CCCCN1c1ncccc1B(O)O	2223638652	MGZXOPLBASWHOR-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccc(NC2CN(C3CCC3)C2)nc1	2223639064	PDCVDGXXHPDVQO-UHFFFAOYSA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCNC12CCC2	2223644994	QLIBYJSWLNAIQA-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H](C)NC2)cc1B(O)O	2223653203	POOMUIRQYYTCIR-ZJUUUORDSA-N	249.123	-0.378	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(c2ccc(B(O)O)cn2)C1	2223680052	YBSCVSGVJMWSNR-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
C[C@H]1CN(C(=O)c2coc(B(O)O)c2)[C@@H]1C	2243349152	GYDWKJXBVGZEMX-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@H]1CF	2243349850	RHZCULOFMKMBLO-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCOC1	2243363455	GXWPRXOVTCPLFR-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
CSCCN(C)C(=O)c1occc1B(O)O	2243363992	POBHHMGJDMCDIT-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
O=C(N1CCC[C@H]1CCO)C1(B(O)O)CC1	2243364046	QATNDMACVRDKAU-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
CCCN(C)C(=O)c1ccc(B(O)O)cn1	2243373912	BCNRGHZPIXCOKF-UHFFFAOYSA-N	222.053	-0.757	50	10	BBGE	
Cc1cc(C(=O)NCC2CC2)sc1B(O)O	2243375782	YMWKCHAWZOWTRF-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)sn1	2243378103	MMLSESSDWGBSKB-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
O=C(NC[C@@H]1CCC=CO1)[C@H]1C[C@@H]1B(O)O	2243390969	DVLHQZGEKTZAQF-CIUDSAMLSA-N	225.053	-0.342	50	10	BBGE	
CC(C)(N)CCCNC(=O)C1(B(O)O)CC1	2243397805	JNFGIMMASUAXOI-UHFFFAOYSA-N	228.101	-0.373	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2243400674	FZJCKGIQJJNOFA-DLGSQSEFSA-N	219.049	-0.838	50	10	BBGE	
C[C@H]1NCCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243408419	MYBLSJKGCMLZSH-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
C=C(C)CONC(=O)c1nscc1B(O)O	2243409638	MBYUWSKUFZTAGW-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
O=C(NC[C@@H](O)C1CC1)C1(B(O)O)CCC1	2243411123	OGJLZLOIIDHYSU-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1	2243411440	TZDFYGFKTHIBQW-ZKCHVHJHSA-N	227.069	-0.323	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H](C)C(C)C)B(O)O	2243412265	JJMGUVPDWBDBDF-MRVPVSSYSA-N	249.141	-0.234	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NC[C@@H](C)F)s1	2243414530	CPGMZKNKWZWLFW-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
C=CCCC(=O)Nc1ccc(B(O)O)cn1	2243685539	WQXOPRJKIUFZQU-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC=CCC1	2244548814	UZHBSOLMCPCAKE-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@H](C(=O)NN)C(C)C	2245132368	QAJFFSWAQZOUMT-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
CN(C[C@H]1CC[C@H]2C[C@H]1CO2)C(=O)C(=O)NN	2247072136	WRKHJJDTSUMHTB-VGMNWLOBSA-N	241.291	-0.750	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2247731981	BOCIVOCQIRYUFZ-RKDXNWHRSA-N	243.112	-0.093	50	10	BBGE	
C=COCCCNC(=O)c1coc(B(O)O)c1	2247732146	CHBFBROAPXUZGE-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)[C@@H]1CCCCO1	2247743709	IAOHLJTXTGENGG-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCN(C)C(=O)C#CB(O)O	2247744175	OSFOKBMKSQXQNA-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1occc1B(O)O	2247750011	CUDVTGMIQNJAAM-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21)C1(B(O)O)CC1	2247750267	GVYJEOPKZQEOTD-FNCVBFRFSA-N	239.080	-0.874	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)c(C)c1	2247752910	XTYZNFHTXWVGEN-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
O=C(N[C@]1(CF)CCNC1)C1(B(O)O)CCC1	2247755829	QYJDOFMVDNJWQM-VIFPVBQESA-N	244.075	-0.799	50	10	BBGE	
CC1(C)CCCN1C(=O)c1occc1B(O)O	2247757704	SEDKWCDRAGXPTB-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)C1(B(O)O)CCC1	2247758722	WHNJGOPMOKBPLJ-DJLDLDEBSA-N	238.096	-0.811	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247760238	FAOIUBVOUDTWFN-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
CCC(CC)NC(=O)c1ncccc1B(O)O	2247768863	ADXQHZDNBBIKOE-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
Cc1cc(C(=O)N(C)CC(F)F)oc1B(O)O	2247789515	XJJYIHJDGLOTKV-UHFFFAOYSA-N	247.006	-0.395	50	10	BBGE	
C[C@H](O)CC(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2247797541	KPENTUHOPLDZGF-XHNCKOQMSA-N	243.112	-0.237	50	10	BBGE	
COCCN(CC(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2247798722	WRHGNNTXTDCAAO-UWVGGRQHSA-N	243.112	-0.020	50	10	BBGE	
C#CCN(CC(F)F)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808907	NDAASMOWAGCLCO-ZKCHVHJHSA-N	245.034	-0.034	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1CCO2	2247847707	ARJNLGBYSQQHMN-UHFFFAOYSA-N	231.016	-0.425	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247855775	YAPLUJFLOOMCFC-SGIHWFKDSA-N	241.096	-0.533	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247858045	AEXAIPKBFKDYCF-KYXWUPHJSA-N	243.112	-0.237	50	10	BBGE	
O=C(N1CCC[C@H]2NCC[C@H]21)C1(B(O)O)CC1	2247875134	WFQOMWOWWXWKGW-RKDXNWHRSA-N	238.096	-0.654	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCCN1	2247877215	DMABREMYURUXHI-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
CCC[C@@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2247878557	LMSPVXHUUYLKBI-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(O)(C2CC2)C1	2247886995	IZEMIVQBSBRVKJ-XWEPSHTISA-N	239.080	-0.777	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC2(COC2)C1	2247887908	TVPUABJUMGRMAS-DTWKUNHWSA-N	239.080	-0.513	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893611	VPIIOVLQUVSOQL-RTBKNWGFSA-N	240.112	-0.598	50	10	BBGE	
CCOC(=O)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2247894489	HDWKRQKINZOKAX-JGVFFNPUSA-N	243.068	-0.691	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247899481	NOPPGYYADXRSKM-UTINFBMNSA-N	240.112	-0.517	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2247900237	VEXMPOHZHJDEPO-JZSCEWGHSA-N	235.092	-0.038	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(B(O)O)c(F)c1	2248441240	RWZXYLZXWNNJGM-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2248573586	GVMKKTJVINTMTE-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)[C@@H]1C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586806	HHWVXRHTFMQMEM-PRJMDXOYSA-N	239.036	-0.909	50	10	BBGE	
O=C(O)[C@@H](CC1CC1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248588973	KMQFKCKBMYXUIW-GJMOJQLCSA-N	241.052	-0.781	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1cocc1B(O)O	2249424281	QMHKANAORSGAQO-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2ccnn2c1	2250029463	PIUVTMHWOFDFBU-UHFFFAOYSA-N	229.004	-0.712	50	10	BBGE	
COCCN(C[C@H](C)O)[C@@H](C)[C@@H](C)C(=O)NN	2250545988	PGMXOUGOORWJGU-AEJSXWLSSA-N	247.339	-0.670	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c1B(O)O	2255510694	ZNEKESHZBXIIIQ-GDGBQDQQSA-N	245.087	-0.187	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCc2n[nH]cc2C1	2255583191	LTNKQXLCGKTZJA-IUCAKERBSA-N	249.079	-0.453	50	10	BBGE	
CCc1cc(NC(=O)c2cc(B(O)O)c[nH]2)n[nH]1	2255675358	ZXOZBRVKPGWOBV-UHFFFAOYSA-N	248.051	-0.768	50	10	BBGE	
C#CCCN(CC)C(=O)c1cc(B(O)O)cn1C	2255736363	LSZUJNCAAZFTAZ-UHFFFAOYSA-N	248.091	-0.810	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1cc(C)ccc1B(O)O	2255737111	ZOXSXDRCCADEIX-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1nccc(C)c1B(O)O	2255780215	RXMWBVLOPROPNO-SECBINFHSA-N	246.075	-0.836	50	10	BBGE	
CC(C)=CCNC(=O)c1ncc(B(O)O)cc1C	2257491486	NJONTBJVSQSGED-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165960	INJZRQQDZCGROP-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@]12CCCNC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2298370365	WZKNSJXQZBXHRU-LOKLDPHHSA-N	238.096	-0.892	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CCO)[C@@H]1C[C@H]1B(O)O	2298377361	NTSOSSMCKQYQFW-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2299936453	SSPJODXJSFUHEA-SCZZXKLOSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1C[C@H](C)C1N(C)c1ncncc1B(O)O	2301232814	ICRBMRULPAPYNT-YUMQZZPRSA-N	235.096	-0.363	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CCO2)cc1B(O)O	2301421464	UUOWKTBQYSGCQE-SNVBAGLBSA-N	235.048	-0.620	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCCOC2)ncc1F	2303834675	JXVHSZJNJQAOJD-ZETCQYMHSA-N	240.043	-0.509	50	10	BBGE	
CNC[C@H](C)COc1cc(B(O)O)c(F)cn1	2303860890	KJSKLSPYSYWTQV-ZETCQYMHSA-N	242.059	-0.865	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c1B(O)O	2309539139	MDANDUHRDATGOO-QEYWKRMJSA-N	245.091	-0.691	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1coc(B(O)O)c1	2312857349	NCIQEAMICZUUHF-JEZHCXPESA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)CCN1	2317152365	BBVCHLUXWBUSRG-VIFPVBQESA-N	245.091	-0.964	50	10	BBGE	
CN1CC[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317309576	UWJYYARALBJVNI-LLVKDONJSA-N	248.091	-0.705	50	10	BBGE	
CCC1(Nc2ccc(C=O)c(B(O)O)c2)CNC1	2317349422	CDAQHFGHKNILHJ-UHFFFAOYSA-N	248.091	-0.657	50	10	BBGE	
CON(CC1CC1)c1ccc(C=O)c(B(O)O)c1	2317352152	UQEBEHFZAWCKRB-UHFFFAOYSA-N	249.075	-0.043	50	10	BBGE	
C[C@@H]1CCCCN1CCCNCC(=O)NN	58837016	XCOIRZQHOWOYFF-SNVBAGLBSA-N	228.340	-0.170	50	10	BBGE	
CN(C)S(=O)(=O)N(C)CCCl	71083136	RBEUOPOGOVJFHG-UHFFFAOYSA-N	200.691	-0.037	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ccnc2)O1	82468530	NQAVCAJGIOERGX-YUMQZZPRSA-N	210.237	-0.579	50	10	BBGE	
CCN1CCC(N(C)[C@H](C)C(=O)NN)CC1	82470120	BSTPKENRCURYKL-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
COCCN(CCC(=O)NN)[C@@H](C)COC	82470586	LFMDGJXEULBSAP-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(CC2CC2)CC1	82471205	ISXBCJZKGWVNIE-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](CSc1nnc(N)n1C)C(=O)NN	82473352	IHPUCHGFQSNRAW-BYPYZUCNSA-N	230.297	-0.885	50	10	BBGE	
CN(CC(N)=O)Cc1ccsc1C(=O)NN	82501563	DTDPJVJNHCOOIF-UHFFFAOYSA-N	242.304	-0.731	50	10	BBGE	
CNC(=O)[C@H]1CCCN1S(=O)(=O)CCl	82512656	AYQJVNGRFIPHCF-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
CN1CCO[C@H](CNC(=O)NC(=O)CCl)C1	85791319	GZQDXHFXNISQGV-SSDOTTSWSA-N	249.698	-0.618	50	10	BBGE	
NCCSCc1ccc(C(=O)NN)cn1	87224092	HHFDHIYRECXQSP-UHFFFAOYSA-N	226.305	-0.123	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCCS1(=O)=O	132857087	GQADNAASXBZTNZ-YFKPBYRVSA-N	227.669	-0.286	50	10	BBGE	
CCc1noc(C)c1NC(=O)NNC(=O)CO	183376421	FQCWBXLAQAOFDB-UHFFFAOYSA-N	242.235	-0.310	50	10	BBGE	
Cc1cc(-n2cc(B(O)O)cn2)ccn1	203615160	AWCQRTPWYOOQPX-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
OB(O)c1ccc(F)cc1O[C@@H]1CCOC1	211674695	FCTCUVQXEDDAHI-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1CNC(=O)C1	229036012	XDFMKKVTPYGHBU-CRCLSJGQSA-N	235.081	-0.226	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](C)C(=O)NC	233878367	DUEKFHZBUORPPZ-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
CO[C@H]1CCN([C@@H](C)CCC(=O)NN)C1	234812930	BZDWPFOTPZUPRX-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCN1Cc2c(B(O)O)cccc2C1=O	238273053	NSFCUEQRGZUHGQ-UHFFFAOYSA-N	205.022	-0.658	50	10	BBGE	
O=C1N[C@@H]([C@@H]2CC(Cl)=NO2)C(=O)O1	238520146	HFWQQFYCIQTXMP-OKKQSCSOSA-N	204.569	-0.037	50	10	BBGE	
C[C@@H](O)CCN(C)[C@H](C)CC(=O)NN	253016008	HBLREWOBXKEJAO-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
CC(=O)NNC(=O)Cn1nc(N)c2cccnc21	260649590	WAVXKMSNHHBTNI-UHFFFAOYSA-N	248.246	-0.819	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCN1[C@@H](C)C(=O)NN	304625180	YFBWHNANIHYWFS-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
OB(O)c1cc(F)c(C(F)(F)F)cn1	306773664	UTKNFOXFVNEOEO-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
OB(O)c1cc(F)cc(CN2C[C@H]3C[C@@H]3C2)c1	307477093	LVMVOTBBRIMNTC-NXEZZACHSA-N	235.067	-0.043	50	10	BBGE	
COCCCOc1cc(B(O)O)ccn1	380076679	JWOKAQQYZGGSPL-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394363292	FXUSIGAUBRTTKH-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CC(C)OCCCN(C)C(=O)C(=O)NN	394912861	WRNFVFJYPBKBKZ-UHFFFAOYSA-N	217.269	-0.750	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1F)C(F)(F)CO	395054594	OSSGBHWPQQOTDE-MRVPVSSYSA-N	248.997	-0.867	50	10	BBGE	
O=C(CCl)Cc1cc(O)cc(B(O)O)c1	396023694	PFIPVDQMLZCJOD-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
CCOC(=O)c1cccc2nc(B(O)O)oc12	396113196	NLDGUAZTEPWLJF-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
NS(=O)(=O)CCCC[S@](=O)Cl	675067593	KLOHBAQZZKZWLQ-JTQLQIEISA-N	219.715	-0.042	50	10	BBGE	
OB(O)c1cncc(OCCOC2CCC2)c1	688986624	QMMGWORKVMQBMQ-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CC[S@@](=O)Nc1cccc(B(O)O)c1F	690070924	LINCYUGDKNABPF-OAHLLOKOSA-N	231.057	-0.399	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1C1CC1	698369492	RVCKSTVHUIRMRQ-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)C[C@H](C)C1	707565391	SLUOBHKAPFYCNI-QWRGUYRKSA-N	242.367	-0.116	50	10	BBGE	
C[C@H]1CN(C)CCN(CCC(=O)NN)C1	708291791	VOLBTINCSFPDJC-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
CN1N=C=C([C@@H](Cl)[C@H]2CCS(=O)(=O)C2)N1	725449154	YXDLSVLBPWACSF-XPUUQOCRSA-N	249.723	-0.053	50	10	BBGE	
CC(=O)NNC(=O)[C@]12C[C@@H]1COC2(C)C	854155939	ZJQSJWNREOIKGT-XCBNKYQSSA-N	212.249	-0.031	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC(C2CC2)C1	863882997	TTYWNECTXOJSIT-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CC1CSC1	896129680	VREHKBUZLIYRCW-UHFFFAOYSA-N	231.321	-0.552	50	10	BBGE	
COC(=O)c1nc(C(=O)NNC(C)=O)cs1	905065193	YDGLQKZKGFELPP-UHFFFAOYSA-N	243.244	-0.289	50	10	BBGE	
COCCC(=O)NNC(=O)c1ncccn1	1130013555	LVQLDMAPIPPXGY-UHFFFAOYSA-N	224.220	-0.726	50	10	BBGE	
CC(=O)NNC(=O)c1noc2c1COCC2	1348050911	DTABRWUIXANBOX-UHFFFAOYSA-N	225.204	-0.472	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1c1cccnc1	1611094675	IJTCVNKGRSOGFV-DTWKUNHWSA-N	235.243	-0.675	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]1Br	1877356560	RXYHWDFMYCMIAE-PWNYCUMCSA-N	238.110	-0.366	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@H]2CN1C[C@H](O)CCl	1883800835	GGKCSFGKJLNLMJ-JQCXWYLXSA-N	205.685	-0.101	50	10	BBGE	
O=C(CCNCCO)NC[C@H]1C[C@H]1Cl	1891641683	BGAOIFXAURCZAB-HTQZYQBOSA-N	220.700	-0.298	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CO)[C@@H]1C[C@H]1Cl	1893462523	ZBQAUNLIMWQDHG-LXGUWJNJSA-N	219.668	-0.263	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(O)(C(=O)O)C1	1893468999	DRTDWCTWKCTPBO-CRCLSJGQSA-N	219.624	-0.728	50	10	BBGE	
CN(C[C@@H](O)CN)C(=O)/C=C/C(=O)Cl	1893504037	BNTUKRVZMAZPJW-SZKDQXIBSA-N	220.656	-0.914	50	10	BBGE	
NC1[C@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]12	1893505491	WEMYRADSUXKSMK-ZELZYMQXSA-N	214.652	-0.277	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1C[C@H]1CF	1897138165	LEUAOIOVBDNJLK-LKEWCRSYSA-N	227.044	-0.191	50	10	BBGE	
CO[C@@H]1CCN(C(=O)NN)C[C@H]1OC	1897229167	ABVXKWYXVRITLH-RNFRBKRXSA-N	203.242	-0.695	50	10	BBGE	
C[C@@]1(O)CN(C(=O)/C=C/C(=O)Cl)CC[C@@H]1O	1897747921	OMDZQHYAUAWQRH-SSWUGZLXSA-N	247.678	-0.348	50	10	BBGE	
CC(C)=C(Cn1nc(C)ccc1=O)B(O)O	1901721968	XGOVLADZHVYKOV-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
OB(O)c1cc(NCC(F)(F)F)ncc1F	1903005450	HEEKTBZBVHHJGV-UHFFFAOYSA-N	237.949	-0.125	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C2	1908719938	VQJYBCBWSDQTEF-UXCLJVHYSA-N	239.319	-0.134	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)[C@H](COC)C(=O)NN	1909181317	LNWHMQFRCQHCMQ-LPEHRKFASA-N	245.323	-0.794	50	10	BBGE	
O=C1CN([C@@H]2[C@H]3CCCO[C@H]32)CC(=O)O1	1909914760	LABWNHRAACUOPB-BDODKLCJSA-N	211.217	-0.451	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1917429456	OAADZJLMVBSYRM-UIAUGNHASA-N	209.249	-0.863	50	10	BBGE	
OB(O)c1cnn(CC2[C@@H]3CCC[C@@H]23)c1	1930484532	MYZSCOGQBNMEEM-RKDXNWHRSA-N	206.054	-0.391	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@H](F)C1	1930649522	LJOFRPIKKWVZDI-WDSKDSINSA-N	203.217	-0.769	50	10	BBGE	
Cn1cc(Cl)c(C(=O)NNC(N)=S)n1	1930869052	WCMLJHISRNJIED-UHFFFAOYSA-N	233.684	-0.449	50	10	BBGE	
COC1(CCl)CN(S(C)(=O)=O)C1	1935347911	SFRHICDPOMCQDG-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
C[C@H](N(C)C[C@@H]1C[C@@H]1C(=O)NN)C(C)(C)O	1936094014	JOISZFNZSCSADV-CIUDSAMLSA-N	229.324	-0.296	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1F	1937151558	ATHQLOIAJJBQMT-KZVJFYERSA-N	231.271	-0.719	50	10	BBGE	
CN1C[C@H](NC(=O)Cn2cnnc2)[C@H](Cl)C1	1937194489	RHOXTQFVMSHURQ-SFYZADRCSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@H]3C2)O1	1940670756	MCJQVYDPKKKGMA-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCCC[C@H]1CO	1941087706	NIIAQQHXGKGGMZ-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
Cc1cc(C)n(C[C@@H]2C[C@H]2C(=O)NN)c(=O)n1	1941094400	XDWLBZAJUMWWBW-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CC1	1945882152	COMXGKVOXCFCJO-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(F)CCN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	1946920770	GUFHBJXRPONLRA-KKZNHRDASA-N	245.298	-0.042	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCC(O)CC2)C1	1950167609	JVFNYLYNTNEBBD-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
CS(=O)(=O)C1(CNC(=O)NN)CCC1	1955002245	QXHYGXBDZPPXOS-UHFFFAOYSA-N	221.282	-0.873	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@H]2COC[C@H]21	1955233736	UFDYFXZFPYGTCX-CWKFCGSDSA-N	219.668	-0.168	50	10	BBGE	
C[C@@H](CC(=O)NN)N=[S@@](C)(=O)N(C)C	1956457129	AUMANOSOIKADQQ-DXRPGJJCSA-N	222.314	-0.671	50	10	BBGE	
C[C@H]1C[C@H]1N(C)CCOCC(=O)NN	1957005673	NMOTVIVOGCKGNI-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CC[C@@H]1C2)C(=O)NN	1958759259	QCKPLIVZYHKWRX-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958774650	JHQVRXVBTNHUCQ-QMGXLNLGSA-N	233.695	-0.186	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CCC[C@@H]21	1961306534	QFNYWOKKDDPOGW-NKWVEPMBSA-N	229.305	-0.527	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)ccc1F	1970062890	NEXIXRRXJWROOR-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
O[C@H](CCl)CN1[C@H]2CC[C@H]1[C@@H](O)CC[C@@H]2O	1977150597	UBAQBAGSXXULSA-NMUGVGKYSA-N	249.738	-0.065	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)[C@H]1C[C@H]1C	1979615442	GVGUNUJYVQSLNU-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CCO[C@H]2C1	1981242929	QJCDYSNDPHNYBB-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CN(CCC(F)F)c1ncccc1B(O)O	1981422584	QODHXMVALIVUOY-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
CCN(CC)CCO[C@H](COC)C(=O)NN	1982849401	QGUXVRWUZNSTLE-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1CCCC(=O)NN	1986378496	NFFMNVSVGMMTOH-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(C)(C)F)n1	1989424457	RINDZJHVWGULPB-UHFFFAOYSA-N	228.032	-0.408	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)[C@@H](C(=O)O)CN1	1991681388	AEOFBBFEWXPTEJ-HSUXUTPPSA-N	246.650	-0.975	50	10	BBGE	
CNC1(C(N)=O)CN(C(=O)C2CC(Cl)C2)C1	1991698957	WMNDVNUCLHGZBF-UHFFFAOYSA-N	245.710	-0.711	50	10	BBGE	
C=C(CN1CCO[C@@](C)(C(F)F)C1)B(O)O	1992144958	HAPWDJRZQPINDK-SECBINFHSA-N	235.039	-0.089	50	10	BBGE	
CCO[C@@H](CNC(=O)C(=O)NN)C(F)(F)F	1994186971	AOOSEOKKHGOWAJ-BYPYZUCNSA-N	243.185	-0.940	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@@H](C)C(=O)NN)C1	1994892014	ICVJXDBCGRPAKL-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1CC=CCC1	1998137573	MVIMZURKGPWLNR-JGVFFNPUSA-N	241.052	-0.615	50	10	BBGE	
COC[C@H]1CCOCCN1CCCC(=O)NN	1998226808	BYDCYQCCQINZDN-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	2003751786	AUAONBXNLAVADW-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
CN(c1cccnc1)c1ncc(B(O)O)cn1	2004911204	DPDPFGWGWVGERH-UHFFFAOYSA-N	230.036	-0.681	50	10	BBGE	
C[C@@H]1CCOCCN1c1ccncc1B(O)O	2004912436	SYVJYBKYIZDUHK-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC[C@@H]1C[C@@H](C)CN1c1ncc(B(O)O)cn1	2004912922	ZNMYNWDFHUQOKU-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1COCCN(c2ncccc2B(O)O)C1	2004936163	VQYYVBYWPMIHDK-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@@]3(C)C2)n1	2004974571	MDFJEGCHTHOOGR-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005989798	FREMUKXXIADEQM-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(CCCC(=O)NN)C1=O	2007786289	VXXPNZUVPCPJCC-OCAPTIKFSA-N	241.291	-0.212	50	10	BBGE	
CC(F)(F)c1cccc(C(=O)NCB(O)O)n1	2013243036	RBPHFDIFESEKMN-UHFFFAOYSA-N	244.006	-0.065	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CN(C)C	2019219281	LHMOJFRSXZIDMN-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
C[C@@]12CC[C@@](Cn3cc(B(O)O)cn3)(CO1)C2	2019467778	BNMBLILRNLIMHV-WDEREUQCSA-N	236.080	-0.478	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21	2020061880	LTFGUAPLZBCMME-IGORNWKESA-N	237.064	-0.906	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1	2022407771	KPKLKTWZWIBVEV-NXEZZACHSA-N	233.271	-0.104	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncncc3B(O)O)C[C@H]12	2025801319	QPUSNSIJDFZWGD-HRDYMLBCSA-N	233.080	-0.751	50	10	BBGE	
NNC(=O)c1cncc(CN2CC=C[C@H](O)C2)c1	2046611358	LWUFBQNEZDRPOS-NSHDSACASA-N	248.286	-0.582	50	10	BBGE	
Cc1nccn1CCCCn1cc(B(O)O)cn1	2050446995	OFVMCSRMEZVVGZ-UHFFFAOYSA-N	248.095	-0.452	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1c1ccc(B(O)O)cn1	2052472235	KROFLBSLOJOCIU-KOLCDFICSA-N	249.123	-0.710	50	10	BBGE	
C[C@@H]1C(Cn2cnc3c(B(O)O)ncnc32)[C@H]1C	2055739986	JLEOYKWJVNBWNV-BQBZGAKWSA-N	246.079	-0.592	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(CC(=O)NN)cc1	2062245020	MBEZEQKVOGTKKN-BXKDBHETSA-N	249.314	-0.216	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)CCC12CC2	2211245172	NSPHKKUZDQZELG-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)[C@@H]1C	2211249114	GZAIVPCNJQZOGF-UTINFBMNSA-N	229.324	-0.154	50	10	BBGE	
C[C@@]1(COCCCC(=O)NN)COCCO1	2211982846	NHUHGYHMCHQRFL-SNVBAGLBSA-N	232.280	-0.421	50	10	BBGE	
OB(O)c1ccnc(Sc2cc[nH]n2)c1F	2212599853	ONSQWDJDEGSVJA-UHFFFAOYSA-N	239.040	-0.225	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCOC2)c1	2212609665	VHLOWTIBIWRFNA-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
OB(O)c1ccnc(NCc2cscn2)c1	2212610808	PIZQHESKAIVFCQ-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1O	2214600605	VGQBDYRIZFNKTN-BXKDBHETSA-N	235.092	-0.821	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCN1	2214603010	SSDRJTMXALCSLA-LBPRGKRZSA-N	234.108	-0.840	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H](O)C12CCC2	2215773121	RJWANOQIRLBMNE-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C(C)(C)C	2217176002	QEXCHZHTPYURSS-VIFPVBQESA-N	233.080	-0.384	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CO1	2217176524	XIYIOFSBVGLQTQ-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
C[C@@]1(CCO)CCN1c1cc(B(O)O)ccn1	2217200512	LAKWSWZNNVJYCM-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CC1(C)CN[C@H]1CNc1ccc(B(O)O)cn1	2217203164	QOGLUKQIGZKHNB-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
CCC[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217203458	VFVPCYOBPCOQPJ-RKDXNWHRSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2C[C@H]2C2CC2)[nH]c1	2223645278	UXUKOLCCVWSMDN-ONGXEEELSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](O)C2(CCC2)C1	2223674284	KBJWODKJLSYCAT-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
CCO[C@H](C)Oc1cc(B(O)O)cnc1C	2242834185	QFDCHZZCGRMXHR-QMMMGPOBSA-N	225.053	-0.169	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccncc1B(O)O	2243350134	WBCPWXWXBBEPLC-ZETCQYMHSA-N	220.037	-0.934	50	10	BBGE	
C=C1CC(NC(=O)c2csc(B(O)O)c2)C1	2243357417	WPRODIUESUSQNX-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=CCC1	2243358355	FVQZGTUECFLBJR-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)cs1	2243377587	CDSLDMJHMOFEPL-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
CC=CCCNC(=O)c1sncc1B(O)O	2243385277	GKIHTBQZGMXNEL-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243391428	KMDZPAHCKFCOCS-RNJXMRFFSA-N	226.085	-0.894	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCCCO1	2243398874	IKFZJTPUNURPLB-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
C=CCNC(=O)c1sc(C)c(B(O)O)c1C	2243414330	YOOHMKHHQJRGCH-UHFFFAOYSA-N	239.105	-0.039	50	10	BBGE	
C[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243419512	ASRKOAHLLIEKNE-BZNPZCIMSA-N	229.085	-0.628	50	10	BBGE	
CONC(=O)c1cc(B(O)O)c(F)cc1Cl	2244190501	COKLMDMRHPTKEL-UHFFFAOYSA-N	247.418	-0.550	50	10	BBGE	
CS(C)(=O)=NCc1c(F)cccc1B(O)O	2245307925	XDGSJFZIYMXSOY-UHFFFAOYSA-N	245.084	-0.267	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2coc(B(O)O)c2)C1	2247734433	HJRSREKUQJCDMX-OTSSQURYSA-N	233.032	-0.899	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2247740792	PSGWFAOXRSOSSM-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccoc1B(O)O	2247741400	ZEGYHWJOVLNIGF-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
C=CC1CC(NC(=O)c2ccoc2B(O)O)C1	2247741897	HKSICWPYTLXNNB-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
NC1CC2(C1)CN(C(=O)C1(B(O)O)CCC1)C2	2247753250	DIOKOZHDGNVBOO-UHFFFAOYSA-N	238.096	-0.667	50	10	BBGE	
C#CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2247753913	BBMFBAYBNVLEGN-SECBINFHSA-N	237.064	-0.756	50	10	BBGE	
CN(CCC1CNC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787818	VITDVLWQMRBNFP-AOOOYVTPSA-N	240.112	-0.693	50	10	BBGE	
CN(CC1=CCCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247796548	APQWSDBWNMGNOY-ZJUUUORDSA-N	239.080	-0.346	50	10	BBGE	
C[C@H](CCCCCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2247799086	ZOQJXUVLVHRPPI-UTLUCORTSA-N	243.112	-0.093	50	10	BBGE	
COCC1(CNC(=O)C#CB(O)O)CC=CC1	2247849948	HJTKIJNHPDFTNF-UHFFFAOYSA-N	237.064	-0.899	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247855354	REGGYBBBXXZLBG-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2CC[C@@H](C1)N2	2247859561	NVJIHDKHCAXFMF-XFWSIPNHSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ccoc1B(O)O	2247869228	OCLJVMNSRLRFDP-NBEYISGCSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)CO1	2247892108	UHSNUSPMFRKQMD-LGUIWLBCSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)C1(CNC(=O)C2(B(O)O)CCC2)CC1	2248577230	LOFRCATUPJTQGI-UHFFFAOYSA-N	241.052	-0.636	50	10	BBGE	
OB(O)C1CCN(CCCn2cncn2)CC1	2249346114	MEQRLTZMVNWSEO-UHFFFAOYSA-N	238.100	-0.393	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)NCCC#CB(O)O	2250005695	AZZNEJCGBXQRAT-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)NCCC#CB(O)O	2250008737	PJMLRKNURPMRPT-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@H]2N1c1ncncc1B(O)O	2254287884	IJDUSBCWKAHNGB-FXPVBKGRSA-N	247.107	-0.076	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1cnn(C2CC2)c1	2255476462	LOSUGEKGTIRZIP-QMMMGPOBSA-N	247.063	-0.589	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1occc1B(O)O	2255484120	IHSTVBVCFVLINK-UFBFGSQYSA-N	249.075	-0.026	50	10	BBGE	
CC#CCN(C)C(=O)Nc1cccc(B(O)O)c1	2255891290	UKTRWKWHEGWPFD-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
O=C(CCO)N1CCCc2cccc(B(O)O)c21	2256674825	CEBMWYGVTSWKBM-UHFFFAOYSA-N	249.075	-0.972	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1[C@@H](CO)C2)C1(B(O)O)CC1	2298375200	ZVCCBGFUJJULNW-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H]2CO	2298375472	LFMUTUAWSZJEAN-LRPJSKTQSA-N	239.080	-0.779	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CO[C@H]1C2	2298555309	FXEZHPJVQSLLCK-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1c(B(O)O)ncn1C	2300228198	YDVWZXPJKLHOJF-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
N[C@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2301419689	SVTHAKZOKMSOBP-CZMCAQCFSA-N	234.064	-0.920	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1C[C@H]2N(C)C)C(=O)NN	2302403493	MALTVUUIOAPDAN-VPOLOUISSA-N	240.351	-0.363	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC23CCC3)nc1	2302530247	KEKNIOJEWMBVAF-QMMMGPOBSA-N	234.064	-0.275	50	10	BBGE	
CN1CCO[C@H](CN2CC[C@](C)(B(O)O)C2)C1	2303097145	MEVJIZFOGVRLRT-QWRGUYRKSA-N	242.128	-0.744	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H](F)C1	2307206362	ZTDBUKPZYKHBTB-KNVOCYPGSA-N	238.027	-0.552	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@H]3COCC[C@H]32)c1	2310322932	UFVXEWUIWQPEIL-WOPDTQHZSA-N	249.075	-0.577	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@@H]2C[C@H]1CO2	2317165065	HINMBRPYJVOHBA-QWRGUYRKSA-N	244.059	-0.784	50	10	BBGE	
Cc1ccccc1CCNC(=O)C(=O)NN	86763360	XGOFEFSXHUALQV-UHFFFAOYSA-N	221.260	-0.356	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1CC(O)C2	104258772	HISMVFPYFMKWOW-ULKQDVFKSA-N	241.291	-0.859	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1cnc(C#N)n1	110603441	DHZPXUIZBOGYLO-UHFFFAOYSA-N	246.230	-0.297	50	10	BBGE	
O=C(NNC(=O)C1(O)CCCC1)[C@H]1CCCO1	124956478	VWSGTUDRBHCDFB-MRVPVSSYSA-N	242.275	-0.382	50	10	BBGE	
CO[C@@]1(C)CCCN([C@@H](C)C(=O)NN)C1	230294271	CZCKTTYIBCBMOZ-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
O=S(=O)(CCCl)NCCc1ncon1	231843327	AQQGRKHINRZRIC-UHFFFAOYSA-N	239.684	-0.230	50	10	BBGE	
C[C@@H](O)CNS(=O)(=O)CCCl	232298996	KOSFJUDVHTXNFA-RXMQYKEDSA-N	201.675	-0.475	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@H](CO)C1	232301057	UWWIISNXLZKRBL-ZETCQYMHSA-N	227.713	-0.131	50	10	BBGE	
Cc1cnn(Cc2ccc(C(=O)NN)o2)c(=O)c1	235965050	BZQMKXFAZHCSRZ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CSC(=O)N1	266793199	BQDDXNMEYNJYMS-SCSAIBSYSA-N	232.265	-0.886	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](CCO)C1	300289229	KMOLODUYYBSPAN-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	307311074	ITJOPNDSEUGOLS-DSYKOEDSSA-N	201.295	-0.446	50	10	BBGE	
CN(C)NC(=O)NCCOCCC(=O)O	308963282	KSBZXQYCRLCVKE-UHFFFAOYSA-N	219.241	-0.747	50	10	BBGE	
OB(O)CCc1cccc(CCB(O)O)c1	309401691	SUFDIMNPAWTWMY-UHFFFAOYSA-N	221.858	-0.283	50	10	BBGE	
Cc1nccn(Cc2nc(C(=O)NN)co2)c1=O	386846060	UWLCJVFQBKGQGU-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CCc1ccc(CCC(=O)O)cc1B(O)O	396060065	RGYOCGVWNBAZIE-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
O=C(O)Cc1ccc2nc(B(O)O)oc2c1	396114656	PWNFORXLKWBBJQ-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
Cn1nnnc1N1CCN2C[C@@H](Cl)C[C@@H]2C1	405206315	ALJBIPKDDIWUQZ-JGVFFNPUSA-N	242.714	-0.288	50	10	BBGE	
C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C	584991557	CTRXWKGIPQYCNG-DTWKUNHWSA-N	233.076	-0.153	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC12CCOCC2	689978617	UQSFMZOUFHWDJX-ZCFIWIBFSA-N	229.305	-0.333	50	10	BBGE	
N#CC1(O)CCN(C(=O)NCC(=O)O)CC1	692125036	ZCCFQWNFOOQAIB-UHFFFAOYSA-N	227.220	-0.869	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@H](CO)C1	696775960	JIQKDBLZMBMNRA-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
CC(C)[C@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703475439	VOSINQNJYWMMET-XHNCKOQMSA-N	227.260	-0.080	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](CO)[C@H](CO)C1	705328809	ICDJAJUBANWBLP-VGMNWLOBSA-N	235.711	-0.080	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)OCCl	706803081	UFSDKQHEKMFTTI-UHFFFAOYSA-N	205.605	-0.036	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@H](C)OC)C(C)C	708298791	UTAJQODUHZSUMZ-UWVGGRQHSA-N	247.339	-0.263	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@]1(C)CO	723000312	OEUIIOLXJMHUAB-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
C=CCNC(=S)NNC(=O)C1(OC)CC1	843752260	NFAJPXLHTHYJTQ-UHFFFAOYSA-N	229.305	-0.153	50	10	BBGE	
CCCC(=O)NNC(=O)c1cn(C)nn1	855183965	LAOOEEZTQILEJA-UHFFFAOYSA-N	211.225	-0.624	50	10	BBGE	
COC(=O)NNC(=O)C1CN([C@H]2CCOC2)C1	895512392	LVMTYFICPOOCMV-QMMMGPOBSA-N	243.263	-0.906	50	10	BBGE	
O=C(NNC(=O)[C@@]1(O)CCOC1)C1CCC1	1465060972	HVQBBVNXZYLQIO-SNVBAGLBSA-N	228.248	-0.915	50	10	BBGE	
O=C(CO)NNC(=O)CCc1cncs1	1641423593	CUBUHOUYUJTZPL-UHFFFAOYSA-N	229.261	-0.785	50	10	BBGE	
OC[C@H](O)CNC[C@H]1C[C@@H]1Br	1880433895	LCKIXRDYOJGBJN-QYNIQEEDSA-N	224.098	-0.287	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)NCC(Cl)Cl	1880598062	QGNZDQYESDWYOV-WUJLRWPWSA-N	215.080	-0.386	50	10	BBGE	
C[C@@H](CCl)NC(=O)C1CS(=O)(=O)C1	1881854975	GZRUQTCJRYDGKG-YFKPBYRVSA-N	225.697	-0.226	50	10	BBGE	
C[C@H](CCl)NC[C@H]1CCS(=O)(=O)N1	1881856120	INSRKCQBFJWERU-RNFRBKRXSA-N	226.729	-0.105	50	10	BBGE	
NNC(=O)C(F)(F)O[C@@H]1CC1(F)F	1882504118	DPVBPZDNBVMMHD-UWTATZPHSA-N	202.107	-0.007	50	10	BBGE	
CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)F	1883211290	VSIMHKMWLSXKGY-WHFBIAKZSA-N	210.230	-0.950	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)CC(=O)NN	1884936846	QFMZAJSVAHVZIZ-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@@H]1CF	1888819898	XQMVEYSBSPBESX-HTQZYQBOSA-N	203.261	-0.096	50	10	BBGE	
N#CCONS(=O)(=O)CCOCCCl	1889188147	SGZQUFADHDWJCD-UHFFFAOYSA-N	242.684	-0.384	50	10	BBGE	
NNC(=O)N(CC(F)(F)F)C1COC1	1892834277	IGXSKNFPQZPNFL-UHFFFAOYSA-N	213.159	-0.167	50	10	BBGE	
NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2Cl)CCO1	1893453358	MMIBZPHWDGLZEO-GJMOJQLCSA-N	218.684	-0.200	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCO[C@@H](CO)C1	1893470940	YDHTVKQPQRHFIT-GJMOJQLCSA-N	219.668	-0.167	50	10	BBGE	
C[C@](O)(CNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475340	SENPEWZNUIWKNJ-FOHZUACHSA-N	221.640	-0.435	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CC[C@@H]32)nc1	1895125421	DNYNIGIVWJWPAX-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
Cc1nc(OC[C@@H]2C[C@H]2C)ncc1B(O)O	1897617163	VTSYMVSCIJFLLZ-SVRRBLITSA-N	222.053	-0.500	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2C[C@@]2(CO)C1	1899671744	LLKFRYWNYFAQBI-SFYZADRCSA-N	239.724	-0.131	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902513160	QGWAVRBONDFWGU-YIZRAAEISA-N	227.069	-0.513	50	10	BBGE	
COCC(COC)N1CC[C@](C)(B(O)O)C1	1902550954	NQQHNZSXCRHFOW-JTQLQIEISA-N	231.101	-0.413	50	10	BBGE	
CCC1(O)CN(C[C@@](C)(CC)C(=O)NN)C1	1902720273	NPZTUFRUXKMZOC-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H](C)O1	1907091756	WHMQEAYVPYZJLA-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H]2COC[C@@H]21	1909685153	CLSKGALDEXJRPK-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CCC[C@H](C(=O)O)O1	1909760559	AGQGMAIBOMGKEV-JGVFFNPUSA-N	245.279	-0.216	50	10	BBGE	
C[C@H](CN1CCSC1=O)C(=O)NN	1912229567	SKAHJHMKDNRDJE-RXMQYKEDSA-N	203.267	-0.219	50	10	BBGE	
Cn1nc(O)cc1C(=O)N[C@@H]1COC[C@H]1Cl	1913097850	AKWKJFGEJGPXSA-PHDIDXHHSA-N	245.666	-0.138	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914260181	ALLMHFSGUQTRDR-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1(CO)CCC1	1915005103	SLOGACLHGGMTBF-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])s1	1929838347	MFVQNYCQGPWQJJ-UHFFFAOYSA-N	231.233	-0.117	50	10	BBGE	
CCC1(F)CN([C@H](COC)C(=O)NN)C1	1930278588	JIHOCMVPQMFMCB-SSDOTTSWSA-N	219.260	-0.575	50	10	BBGE	
CO[C@@H](CNC(=O)NN)[C@@H]1CCOC1	1930526711	YWMSFSTWEZUMCL-RQJHMYQMSA-N	203.242	-0.789	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1C[C@H]1C(=O)NN	1932967392	MQYLHCXIRMYRNL-NQMVMOMDSA-N	213.281	-0.931	50	10	BBGE	
CS(=O)(=O)NC[C@H]1COC[C@@H]1Cl	1933389273	MDCJNBFRZMDBCP-WDSKDSINSA-N	213.686	-0.211	50	10	BBGE	
C[C@H](C[C@H]1CCCS1(=O)=O)NC(=O)NN	1935061757	QKEUVXHFUDUTBV-RNFRBKRXSA-N	235.309	-0.485	50	10	BBGE	
COC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936089307	UHPQIZUPWHGHDY-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1936527453	VFACUTIOYRSSKW-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C(CO)[C@@H]2C1	1937460686	JNZGCHGWNCDCFX-RBXMUDONSA-N	227.308	-0.829	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)C1CN(C)C1	1938230884	OBLACUPKLXBQJD-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
COC1(CO)CN(CCCCCC(=O)NN)C1	1951060403	HEVBLAGYENKQQS-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COC1(C(=O)N2CC[C@H](B(O)O)C2)CC1	1951321046	XEYSYNCXIUDUEM-ZETCQYMHSA-N	213.042	-0.759	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1nc(B(O)O)cs1	1957003304	PQLQJZKQTDZDHH-PHDIDXHHSA-N	212.083	-0.333	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1958774648	JHQVRXVBTNHUCQ-DFTQBPQZSA-N	233.695	-0.186	50	10	BBGE	
CC(C)OCC1CN([C@@H](C)C(=O)NN)C1	1960431651	YNFKRPUVYPFFED-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
CCOC[C@@H](C)Oc1nc(B(O)O)cs1	1961695153	ZIIJOEGJQUGYDD-ZCFIWIBFSA-N	231.082	-0.373	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962236855	UZXKAIZJLFFGKW-WUNMTQJUSA-N	233.695	-0.281	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H](O)[C@H]1C2	1974538625	CMTHCBJTBCBOGD-IWSPIJDZSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](CNC(=O)NN)CN1CCOC1=O	1975240957	MJVAGZTZIXAJAR-LURJTMIESA-N	216.241	-0.752	50	10	BBGE	
CC(C)(F)CC(=O)N[C@H](CB(O)O)C(=O)O	1976995203	OGMXEGYADHRUHA-RXMQYKEDSA-N	235.020	-0.833	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ccn(C)c2C1	1981011891	ALXLZXKYUPOCSS-QMMMGPOBSA-N	222.292	-0.238	50	10	BBGE	
CCN(C)[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	1981058180	DDKMQMLXDKYAHZ-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
Cc1ncnc(N(C)C(C)(C)C)c1B(O)O	1981447648	QRWITOQSYDZTFU-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC(F)(F)C(=O)NN	1984130583	VFJOLLHKCONSLA-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CO)N(C)C[C@H]1CC[C@@H](C(=O)NN)C1	1985358360	YRQSJAHJTYLXGH-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)n1	1989170941	IWSHZYFWRULOOW-ZBGLXGBJSA-N	218.065	-0.535	50	10	BBGE	
CCCN(C)C1CN(CCCC(=O)NN)C1	1989654082	UVHLYESXXHILFN-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
COC1(CC(=O)NCC=CB(O)O)CCC1	1991326985	MGZUDWUJGNXBFU-UHFFFAOYSA-N	227.069	-0.370	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)[C@H]1CCCO1	1991329706	JLHZDLFKXZWXTJ-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
N[C@]1(C(=O)O)C[C@@H](NC(=O)C=CC(=O)Cl)C1	1991654548	LXTPWQUZGSLFGS-OAJKRXHASA-N	246.650	-0.631	50	10	BBGE	
O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@@H]1C[C@@H]1Cl	1991676576	BDDNXARRAWDHNZ-QGOVLLJGSA-N	247.678	-0.044	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)[C@@H]3C[C@H]3Cl)C[C@@H]12	1991693046	KYDQUFNPLCLTQY-MVIOUDGNSA-N	242.662	-0.655	50	10	BBGE	
C=C(CN1CC[C@H]2OCCO[C@H]2C1)B(O)O	1992168255	XOGRLHSTOSIERQ-ZJUUUORDSA-N	227.069	-0.956	50	10	BBGE	
Cc1ccn(C[C@@H](C)C(=O)NN)c(=O)c1C#N	1997074586	HSHIEHPSLFVACK-MRVPVSSYSA-N	234.259	-0.346	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2004601802	BOJJTGLNZUABKH-RGOKHQFPSA-N	241.335	-0.154	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C)[C@H]2C)c1B(O)O	2004971978	YUXWKNFQLBYEHA-IONNQARKSA-N	235.096	-0.300	50	10	BBGE	
COc1nc(N(C)C(C)(C)C)ncc1B(O)O	2005018512	VEKMFKFJJPRUJU-UHFFFAOYSA-N	239.084	-0.600	50	10	BBGE	
COC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1C	2006559834	DDLKKWOQDFEYQO-NAKRPEOUSA-N	241.335	-0.173	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2C[C@H]2F)c(B(O)O)c1	2006989864	WRJQAODSXVJAOD-IONNQARKSA-N	237.039	-0.029	50	10	BBGE	
Cc1ncnc(OCC2[C@@H](C)[C@@H]2C)c1B(O)O	2011597312	MHNSSFIEFAQIRP-BQBZGAKWSA-N	236.080	-0.254	50	10	BBGE	
CC1(F)CN(C[C@H]2CCC[C@H](C(=O)NN)O2)C1	2018242631	LTISIPBPRUNDBI-RKDXNWHRSA-N	245.298	-0.042	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H]2[C@H]1CO)C(=O)NN	2021741361	VHEKBAKRSUFZFP-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
O=C1CCc2cc(C(=O)NNCCO)ccc2N1	2031834620	CSZLKQWKTKITIU-UHFFFAOYSA-N	249.270	-0.202	50	10	BBGE	
NNC(=O)C1(Cn2c(=O)oc3cccnc32)CC1	2033726819	KTHRBSIEFIMAGA-UHFFFAOYSA-N	248.242	-0.240	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@@H]1CC[C@@H]1N	2043163558	YYECKKMDIZFZPG-VHSXEESVSA-N	249.318	-0.054	50	10	BBGE	
Cc1nc(N(C)CC2[C@H](C)[C@H]2C)ncc1B(O)O	2052559959	QYMDNDDARPROON-HTQZYQBOSA-N	249.123	-0.197	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1C#N	2060284879	PYDNJBRZQNBTRK-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2070845911	YOPIQYQTEZIPHF-KMLSVPJDSA-N	245.091	-0.753	50	10	BBGE	
C=C(CN(C)c1cccn(C)c1=O)B(O)O	2210281142	LTVFHNJVPNMFID-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
COC1(CNc2ncccc2B(O)O)CC1	2212602859	KUXRZZPFVUTCAC-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
CC[C@H]1CCN1c1nccc(B(O)O)c1F	2212603646	IAYIUZPEGNMWOZ-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
CC(C)[C@@H](N)COc1ncccc1B(O)O	2212604948	VETNPLOGEVESMN-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]2[C@H]1CO	2215770677	CYIIWQDMZBZYBP-RCZSTQMZSA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC12CC(O)C2	2217201108	WYQADWDWIANPSU-DMGUCSGOSA-N	234.064	-0.913	50	10	BBGE	
CC(C)C[C@@H](C)Cn1cc(B(O)O)cnc1=O	2217412964	QPGLTDVIIDUULL-SECBINFHSA-N	238.096	-0.395	50	10	BBGE	
CC(C)(C)c1ncn(-c2cc(B(O)O)ccn2)n1	2223608582	DKYJVSIMUFKLFD-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
NCc1ccccc1Oc1ncc(B(O)O)cn1	2223659611	IGRNIBNNXJSBPS-UHFFFAOYSA-N	245.047	-0.593	50	10	BBGE	
N#Cc1ncccc1Oc1cc(B(O)O)ccn1	2223665071	BURCINXVRSGCOX-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
CC#CCNS(=O)(=O)N1CC(Cl)C1	2241353272	FIZCILZITQPASR-UHFFFAOYSA-N	222.697	-0.233	50	10	BBGE	
COC(=O)C(C)(C)CS(=O)(=O)N=C=O	2242234257	JYYLSZGMXXLXRH-UHFFFAOYSA-N	221.234	-0.149	50	10	BBGE	
OB(O)c1ccc(F)cc1COCF	2242482507	ZMZDTERXWMCLSN-UHFFFAOYSA-N	201.965	-0.051	50	10	BBGE	
O=C(C#CB(O)O)NC1CC[C@H]2C[C@@H]2CC1	2243349584	NLQRACQZFULXSM-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1cc(B(O)O)c[nH]1	2243356733	MIHKOOMHOLNKMV-CAHLUQPWSA-N	242.471	-0.948	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2243361376	AJLGBTASFNYDFV-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
O=C(N1CC[C@H](CCO)C1)C1(B(O)O)CC1	2243363902	ODLCGHKVBKFSAA-MRVPVSSYSA-N	227.069	-0.776	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)C1(B(O)O)CC1	2243365751	RLMVPOKYHXLFAV-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)c(Cl)c1	2243366428	BVJVQDMGHMJIGJ-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
CN(CCOC1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392231	SFIFPWXDOLREDA-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
CN(CCCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2243395870	DEDVKOORJGUWPW-KYZUINATSA-N	229.085	-0.530	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1CC1	2243397418	AXMOFEOSUSDZDA-UHFFFAOYSA-N	223.037	-0.592	50	10	BBGE	
Cn1cnc(NC(=O)C2CC(B(O)O)C2)c1	2243404551	QCLFMTJKTIRARJ-UHFFFAOYSA-N	223.041	-0.388	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)N	2243404694	SGFOQTUVMNKGDT-BWZBUEFSSA-N	228.101	-0.519	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1O	2243409520	JPCAMIRULFTWSA-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
C=C[C@@H]1COCCN1CC(=O)NNC(C)=O	2244004873	UWXAZRLBJHZZPA-SECBINFHSA-N	227.264	-0.960	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cocc1B(O)O	2244221480	MNSXMKUMSKARMB-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
COC[C@@H]1CC[C@@H](CNC(=O)C#CB(O)O)C1	2247741127	VDFJFWALOMXFJJ-NXEZZACHSA-N	239.080	-0.819	50	10	BBGE	
CCOCCOCCNC(=O)C1(B(O)O)CC1	2247751502	YLCOAVYMKGNZQU-UHFFFAOYSA-N	245.084	-0.837	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2247785470	LDAROFYKLJVDSS-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](O)C12CCC2	2247786928	IQSXDWMBAGMWSI-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247787540	QJQUAUHNOFBPJR-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1CO	2247804358	GQYROEDDTIZUGC-DOLQZWNJSA-N	241.096	-0.674	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1CC=CC1	2247846827	MTCHGGCYLPUDNC-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CN2CC[C@H]1C2	2247872111	NBXVOQCAIZRURK-DTWKUNHWSA-N	238.096	-0.844	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)ccc1OC	2247875818	CUEJKMZXDZWGJF-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
C=CCONC(=O)c1ccc(F)cc1B(O)O	2247876384	ODWPKRVAYDOSNI-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)nc1	2247895579	UESUNJGMWHPHMA-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
CC(C)(C)[C@H](CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247900091	SWZHDPUHHONWCM-CIUDSAMLSA-N	243.112	-0.380	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1CN2)C1CC(B(O)O)C1	2247903970	NUJRCFHLYCJZGS-VHGJHBJISA-N	238.096	-0.894	50	10	BBGE	
CC1(C)C[C@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248565342	DDXRBBUEKHNHBB-JTQLQIEISA-N	241.052	-0.637	50	10	BBGE	
O=C(O)[C@@H]1C=CCN1C(=O)C1CC(B(O)O)C1	2248580316	XACNHQRLESGAMG-RRQHEKLDSA-N	239.036	-0.909	50	10	BBGE	
CC(C)CN(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248585508	MTFFUUFLLASZFD-JGVFFNPUSA-N	243.068	-0.582	50	10	BBGE	
C#CC1(NC(=O)c2ccccc2B(O)O)CC1	2249867704	SBEPGKQQHDSINC-UHFFFAOYSA-N	229.044	-0.738	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCC[C@@H]2CC3)nc1	2251126417	RIXMLBIKZPXDFS-KCJUWKMLSA-N	233.080	-0.099	50	10	BBGE	
COc1ccc(B(O)O)c(N(C2CC2)C2CC2)n1	2254701018	NBVDGFHTVKAPEK-UHFFFAOYSA-N	248.091	-0.099	50	10	BBGE	
CC=C=CCCNC(=O)c1ncncc1B(O)O	2255493891	FPRGUZZAZZQFEM-UHFFFAOYSA-N	247.063	-0.993	50	10	BBGE	
C#CC#CCNC(=O)c1c(C)cccc1B(O)O	2255512804	GFJGXXLZUNUNFA-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1[C@H]2CCC[C@@H]1C2	2255517695	DXLUSAFRDSODEB-AOOOYVTPSA-N	246.075	-0.472	50	10	BBGE	
COc1cccc(CN(C)C(=O)C#CB(O)O)n1	2255671206	NXMYUTPHKQYOKM-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](c2cn[nH]c2)C1	2255681531	TUBGWLFZJSIYFM-SECBINFHSA-N	247.063	-0.869	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCCC1=O	2255682362	FYHOXTVIMLWXBD-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1CC2(CC2)C1	2255733535	MRCWTCJTAJUTNV-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
O=C(NCC1CC1)c1cc(B(O)O)cn1C1CC1	2255747668	PEKFTSYGCYJCPF-UHFFFAOYSA-N	248.091	-0.357	50	10	BBGE	
Cc1cnc(C(=O)N(C)[C@@H]2C[C@@H]2C)c(B(O)O)c1	2255804657	GTOFSVCZKLOUJG-WCBMZHEXSA-N	248.091	-0.450	50	10	BBGE	
C#CCC(=O)N1CCc2cccc(B(O)O)c2C1	2256602311	XWBRRVSYLKWROJ-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C[C@@H](O)CCl	2297113032	HLUHTZWGVSIEMK-FXQIFTODSA-N	223.700	-0.598	50	10	BBGE	
C[C@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2301339481	UCMKGDCHHWTAMJ-QMMMGPOBSA-N	233.080	-0.979	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCOC[C@H](O)C1	2302052570	KOKHFTPPVWSBRZ-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2CCOCC(=O)NN	2302207616	KCHSJSAHNTZZTF-AEJSXWLSSA-N	243.307	-0.898	50	10	BBGE	
CCCN(CCC)Nc1ncc(B(O)O)cn1	2302398462	AODGNPHHQWFESQ-UHFFFAOYSA-N	238.100	-0.395	50	10	BBGE	
CN(C[C@H]1CCO1)c1ncc(F)cc1B(O)O	2302411741	AHKAHUAPFQMOLK-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2CCc3nccn32)C1	2306971428	XUSBSHJLWGJGMS-ZJUUUORDSA-N	235.096	-0.081	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H]1CN	2317164052	UZICJCKJNUWOHX-KWQFWETISA-N	245.091	-0.613	50	10	BBGE	
C[C@H](N)CCCOc1ccc(B(O)O)cc1C#N	2317210468	BWFOCPVOOSICKV-VIFPVBQESA-N	248.091	-0.256	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CCC[C@@H]2O)cc1B(O)O	2317313197	SYCPCAOGILNIAC-NEPJUHHUSA-N	249.075	-0.496	50	10	BBGE	
CCn1cnc(COc2cccc(B(O)O)c2)n1	2319082583	FCBKZDUSHGRIAL-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H]2C2CC2)[nH]c1	2319644881	WFPANWPFLXHLHL-ONGXEEELSA-N	247.107	-0.574	50	10	BBGE	
CNC(=S)NNC(=O)CCSC	58089432	RYMGCJGAGJLSLG-UHFFFAOYSA-N	207.324	-0.135	50	10	BBGE	
NNC(=O)C(=O)N1CCOc2ccccc2C1	63014101	PURCROPBIBNZGK-UHFFFAOYSA-N	235.243	-0.603	50	10	BBGE	
Cn1c(C(=O)NN)nnc1-c1cccnc1	75848676	NDNLPAZNSOCSAW-UHFFFAOYSA-N	218.220	-0.519	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(O)CC1	82465935	NEZUPVRSGAQEKY-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])c1	82471293	WOEKGWFZAIAKNQ-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H](C#N)C1	86656741	SHMLKQKXNODTFR-XHNCKOQMSA-N	226.280	-0.775	50	10	BBGE	
C[S@@](=O)CCCNC(=O)NC(=O)CCl	135305497	LICVPJVPZIXXRN-AWEZNQCLSA-N	240.712	-0.180	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)C1CC(=O)C1	154796054	WOUVGLLWWXWSED-UHFFFAOYSA-N	235.243	-0.235	50	10	BBGE	
CN(CCS(C)(=O)=O)C[C@H](O)CCl	158031243	NDVVJIIPZQVGSD-SSDOTTSWSA-N	229.729	-0.438	50	10	BBGE	
COc1ccc(Cn2cccn2)cc1B(O)O	199003730	FXDKPFVEVVMEEZ-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CC(C)(C)OC(=O)OC(=O)[C@@H](N)CO	199328215	FISIOIUGUHVJGJ-YFKPBYRVSA-N	205.210	-0.216	50	10	BBGE	
Cc1ccn(Cc2ccc(B(O)O)cc2)n1	203617650	GELHICOACMVABR-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
N[C@@](CCCCB(O)O)(CC1CNC1)C(=O)O	203705065	AXPWCQBRFJPOFN-JTQLQIEISA-N	244.100	-0.979	50	10	BBGE	
COC(C)(C)CCOc1cncc(B(O)O)c1	231030219	LQAGWEXEVHDHIU-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CCN(CC(C)(C)O)[C@H](COC)C(=O)NN	232420476	NYTCZTJBWLKOHE-MRVPVSSYSA-N	233.312	-0.916	50	10	BBGE	
COC[C@@H](SCCCO)C(=O)NN	232421673	METTXJPQKYWLHG-ZCFIWIBFSA-N	208.283	-0.893	50	10	BBGE	
COC[C@@H]1CCCN(CC(=O)NN)C1	234725262	QQYZCJCLLIHEQP-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
OCc1ccnc(Br)c1B(O)O	238728067	VRSMHTZODBBCKB-UHFFFAOYSA-N	231.842	-0.984	50	10	BBGE	
N#C[C@@H](O)c1cccc(N2CC(=O)NCC2=O)c1	260713610	UYSXSORKOXEQCZ-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
O[C@H]1[C@@H](CF)O[C@@H](O)[C@H](O)[C@@H]1Cl	306196935	RJDGZORNPYKEPA-VFUOTHLCSA-N	200.593	-0.998	50	10	BBGE	
N=C(N)NC(=O)NCCC[C@H](Cl)C(=O)O	309007872	VJJMHCNXOFYXLW-BYPYZUCNSA-N	236.659	-0.349	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	394947635	GCGOLQJBVIKHBC-OGBGREFGSA-N	240.351	-0.507	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](C(N)=O)C1	395612456	JZPCIRRDDZKSIW-YUMQZZPRSA-N	242.323	-0.802	50	10	BBGE	
COc1cc(CC(=O)CCl)cc(B(O)O)c1	396023186	OFTHFCNIECIQDS-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
O=Cc1c(B(O)O)ccc2scc(CO)c12	396345229	XQHNZUXTTBRXJY-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1csnn1	405000630	LQWSZXPARBDYAO-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCOC(=O)NCc1ccc(B(O)O)cc1	405158207	YYSRKFALYBAGJX-UHFFFAOYSA-N	223.037	-0.388	50	10	BBGE	
COCCOC(=O)Nc1ncc(B(O)O)s1	405174509	YWLZIHKUQXQMFT-UHFFFAOYSA-N	246.053	-0.982	50	10	BBGE	
OB(O)c1ccnc([C@H]2CCCNC2)c1	607718076	BHOMFDQUJBTWBM-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
Cn1nnc(CC2=C[C@H](Cl)CNC2)n1	675077715	QVAVULALGUMTOT-ZETCQYMHSA-N	213.672	-0.110	50	10	BBGE	
COC(C)(C)C[C@H](N)C(=O)NN(C)C	690768365	YMGIJOUTSXININ-ZETCQYMHSA-N	203.286	-0.278	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCN(C)CCO	691314690	NKJXUABVGVAZQZ-JTQLQIEISA-N	246.355	-0.999	50	10	BBGE	
Cc1nn(C[C@@H]2CC[C@H](C)O2)c(C)c1B(O)O	694268306	HRPBPAFASRGQPZ-XVKPBYJWSA-N	238.096	-0.253	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2CC1(CO)C2	695047234	CZNLTPWJFBCLIH-SQLBVSGCSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cccnn1	700692612	WQUOIBHXTGDTEB-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
Cc1n[nH]c(C)c1CC(=O)NNC(N)=O	700852677	LUKDLHOJJUMRMR-UHFFFAOYSA-N	211.225	-0.731	50	10	BBGE	
Cc1csc(=O)n1CC(=O)NNC(N)=S	700872982	JLEUFTRMUSPKNZ-UHFFFAOYSA-N	246.317	-0.917	50	10	BBGE	
N#CC1(O)CCN(C(=O)/C=C/CN)CC1	709392419	WXXLOYJSBRCDIE-OWOJBTEDSA-N	209.249	-0.622	50	10	BBGE	
NNC(=O)c1sccc1Cn1ccnn1	710717228	BMAQTHCUFNKNJO-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CCCNC(=O)N1CCc2cccc(B(O)O)c21	712144909	AMWDXUBUUHLRSK-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2C[C@H]1CO2	718287051	PYIIIBJHDCNMNB-YUMQZZPRSA-N	237.259	-0.144	50	10	BBGE	
CN(C[C@H]1CCCS1)C(=O)C(=O)NN	718294165	IYJQIPCPHWVWEA-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
O=S(=O)(NCC(Cl)Cl)C1CNC1	722272380	MOOFCKWQXKGIJP-UHFFFAOYSA-N	233.120	-0.319	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1	755281561	IXYAVWFBCRYBIH-UHFFFAOYSA-N	240.263	-0.475	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1(CCF)CC1	810333822	MBEKWPDUJHFGJP-UHFFFAOYSA-N	231.271	-0.165	50	10	BBGE	
CN(NC(=O)[C@H](O)Cc1cnn(C)c1)C1CC1	819651282	IGGBSKBGCOFKQJ-SNVBAGLBSA-N	238.291	-0.551	50	10	BBGE	
COC1(C(=O)NNC(=O)c2ccnnc2)CC1	843909029	SJXVTFBIFYBTHA-UHFFFAOYSA-N	236.231	-0.583	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1nccc(C)n1	854919800	GFISYYZKGIKWAS-UHFFFAOYSA-N	239.304	-0.134	50	10	BBGE	
CCn1ncc(CNS(=O)(=O)CCl)n1	859250722	YFYZFXFITJUZFO-UHFFFAOYSA-N	238.700	-0.086	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1	898586020	CAHLCMGRJZMYDW-XPUUQOCRSA-N	238.247	-0.404	50	10	BBGE	
C=C(CN)CN1C[C@@H](Cl)C(=O)NC1=O	953073861	SUXWTZJNLBOOND-ZCFIWIBFSA-N	217.656	-0.340	50	10	BBGE	
O=C(CO)NNC(=O)c1cccc2ccncc12	1306819366	CALLYOMKCBIPMM-UHFFFAOYSA-N	245.238	-0.012	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1ccnnc1	1469119833	DMTULHHXTRCYGG-YAJNLLPGSA-N	236.231	-0.825	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1ccccn1	1540413871	WZKOITLJDHQSSX-SNVBAGLBSA-N	248.286	-0.063	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCc1nc[nH]n1	1556926033	DYFGMCROOXIPIB-SSDOTTSWSA-N	227.268	-0.919	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1C(N)=O	1569081818	BTIFANNQWTWQBW-FCZSHJHJSA-N	237.259	-0.093	50	10	BBGE	
CN(NC(=O)c1ccc(Cl)nc1N)C(N)=O	1636584528	XYRSNCMDMSWBMV-UHFFFAOYSA-N	243.654	-0.028	50	10	BBGE	
C=CCn1cc(C(=O)NNc2ccn(C)n2)nn1	1648762876	NZUUQQNYDBYHFK-UHFFFAOYSA-N	247.262	-0.046	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC[C@@H]2C[C@H]2Cl)C1	1883555522	XSYRLSGSQAZFEB-KZVJFYERSA-N	204.701	-0.122	50	10	BBGE	
C[C@@H](N(C)C(=O)C(=O)NN)C(C)(F)F	1885203517	PEXBIXPNXJRHKL-SCSAIBSYSA-N	209.196	-0.522	50	10	BBGE	
N#CC1(F)CN(CCCC(=O)NN)C1	1888380644	APRYRENEIQTQOW-UHFFFAOYSA-N	200.217	-0.696	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](C)S1(=O)=O	1893852481	WJTLXLPAMSYBTC-BQBZGAKWSA-N	235.309	-0.821	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)O1	1895135628	UPTVJCNSEORBNH-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)N[C@H]1CCN(c2ccccn2)C1	1900684094	NANZZPNDKQXQJK-QMMMGPOBSA-N	221.264	-0.167	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@@H](N)C1)S(C)(=O)=O	1901339690	RODOKJKNYHVTPS-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)CCCCN)S(=O)(=O)C1CC1	1901348285	FTPRPFZTUMNBGR-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
Cc1ncc(OC[C@H]2CCO2)cc1B(O)O	1901367706	ASTCRAUOKITVFW-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1CC(NC)C1	1901376491	BDROKRYUGFZDLY-UHFFFAOYSA-N	249.336	-0.703	50	10	BBGE	
N=C(C[C@H](O)CNC[C@@H]1C[C@@H]1Cl)NO	1903813241	CAKRTKNIAVHFNT-ACZMJKKPSA-N	221.688	-0.090	50	10	BBGE	
C=C1COCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	1904706648	VGXCRWDAVLLUSL-DTWKUNHWSA-N	225.053	-0.736	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	1908365286	SRUMPORRMBCTNT-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1910105330	ZGMXLHFFTPUSAO-RNJXMRFFSA-N	245.034	-0.038	50	10	BBGE	
NNC(=O)CCCN1C=CS(=O)(=O)C=C1	1910195882	WIVIZPSLMGFRDO-UHFFFAOYSA-N	231.277	-0.571	50	10	BBGE	
CCC1CC(Cn2ccc(B(O)O)n2)C1	1910325917	RTDKYOUHLKZYJT-UHFFFAOYSA-N	208.070	-0.001	50	10	BBGE	
C[C@H](N=S1(=O)CCC1)[C@@H](C)C(=O)NN	1913862972	QCXPJPSTMMFDOW-RQJHMYQMSA-N	219.310	-0.127	50	10	BBGE	
COCC1CN(Cc2ccoc2C(=O)NN)C1	1916280801	CSGPGJIRUGVUIX-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CCNCC2=O)CC1	1917085555	XVTAWDFJZNFMBA-UHFFFAOYSA-N	248.286	-0.900	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H](CF)C1	1928179134	MVILNAKUZYDGEP-QMMMGPOBSA-N	219.260	-0.716	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1CCOCC(=O)NN	1928179183	NIGYFKNPOHQLOM-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@]1(NC(=O)C(=O)NN)CCC(F)(F)C1	1929105972	LVWALZGGGDCXNT-ZETCQYMHSA-N	221.207	-0.330	50	10	BBGE	
NNC(=O)COc1ccc2c(c1)CCO2	1929714276	JGROPAHIHNUBLK-UHFFFAOYSA-N	208.217	-0.010	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@](C)(O)CO1	1930291898	ROSSYRCVAOXEAA-APPZFPTMSA-N	217.269	-0.857	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CC2)CC1	1931260290	JNKXBYNDUBBXBL-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
O=C1C[C@H](NC(=O)CCCCCl)C(=O)N1	1932170123	CMZSTWNXQRDYBM-LURJTMIESA-N	232.667	-0.073	50	10	BBGE	
CC(C)SC1CN(C(=O)C(=O)NN)C1	1933225686	LKVUBCNFLCHHCR-UHFFFAOYSA-N	217.294	-0.671	50	10	BBGE	
NNC(=O)C(F)(F)CN(CCO)CC1CC1	1935942416	QCFKXFVYVOTMCW-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1C[C@H]1C[C@H]1C(=O)NN	1936093445	DWDJITWGHDVHMQ-BWZBUEFSSA-N	247.320	-0.964	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COC[C@@H]2CCl)n1	1937181518	KFKFOEYDLNMTJB-POYBYMJQSA-N	244.682	-0.201	50	10	BBGE	
NNC(=O)CCN1C(=O)CC(C2CC2)CC1=O	1946647506	GZFDJBYOYGOMNE-UHFFFAOYSA-N	239.275	-0.458	50	10	BBGE	
Cc1nnc(Cc2ccc(B(O)O)cc2)o1	1951338516	YRZBOJRLKJBHKE-UHFFFAOYSA-N	218.021	-0.351	50	10	BBGE	
CO[C@H](CCS(C)(=O)=O)C[C@@H](O)C#N	1951418088	AEFSOERTJPCUQS-HTQZYQBOSA-N	221.278	-0.289	50	10	BBGE	
CS(=O)(=O)CC[C@H](N)C(=O)CCl	1953456266	SQJVRMSGMURXCV-YFKPBYRVSA-N	213.686	-0.444	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1CCSC1	1953976966	LLBVNMZEQQQCKZ-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CSCC1CN([C@H](C)C(=O)NN)C1	1954519385	ZHFHKZHGEPITNW-ZCFIWIBFSA-N	203.311	-0.340	50	10	BBGE	
NNC(=O)N1CCC([C@@H](F)CO)CC1	1955962742	BFESMQGTMHSXLU-ZETCQYMHSA-N	205.233	-0.388	50	10	BBGE	
CCCS(=O)(=O)CC(C)=NNC(N)=O	1956776521	PVJUNGGPDFZKRA-UHFFFAOYSA-N	221.282	-0.145	50	10	BBGE	
CN(Cc1cnn(C)n1)S(=O)(=O)CCl	1956952392	HDAGTBJHNDQXLG-UHFFFAOYSA-N	238.700	-0.227	50	10	BBGE	
OB(O)c1csc(N2CCSCC2)n1	1956966260	SDGUFYGQVDYKRB-UHFFFAOYSA-N	230.123	-0.624	50	10	BBGE	
CC[C@H](COC)N(C)C[C@H](C)C(=O)NN	1957482497	NDFUCDBMBNOQRH-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
C=C(CCl)CN1C[C@@H]2C(=O)NC(=O)[C@H]2C1	1960156157	PKWLGIBWMIUYAL-YUMQZZPRSA-N	228.679	-0.014	50	10	BBGE	
CCO[C@@H]1C[C@@H](OC)CN(C(=O)NN)C1	1960258926	MUPRFFZQSPWBRK-HTQZYQBOSA-N	217.269	-0.305	50	10	BBGE	
CC(C)(CN1CC(F)(CO)C1)C(=O)NN	1961737527	RMWGQOVBMXMTAE-UHFFFAOYSA-N	219.260	-0.981	50	10	BBGE	
CC(=CCl)Cn1cc(B(O)O)ccc1=O	1975101795	XIRNYUUMBWJKGU-UHFFFAOYSA-N	227.456	-0.329	50	10	BBGE	
CC(C)CN1CC[C@@H](N(C)CC(=O)NN)C1	1976578175	YRXXZJWHBXLFST-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccon1	1976756820	YRVGFCOCCLNZDX-UHFFFAOYSA-N	228.252	-0.887	50	10	BBGE	
COC[C@H]1CCOCCN1[C@@H](C)C(=O)NN	1977065854	LZASLAOUBXXPIR-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]([C@@H]1CCCOC1)N(C)C(=O)C(=O)NN	1980240474	TXIGVRUQCQAWQS-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1CCCC(=O)NN	1980723466	SUTUNBMMOKPVBI-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COC[C@]1(C)CC(=O)N(CCC(=O)NN)C1	1980847083	GSEXZBARECOECO-SNVBAGLBSA-N	229.280	-0.749	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC2(CC2)C1	1981015504	XZXIAJUWWQVZDC-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)c2cccnc2O1	1981042781	DXIHMGPSNYFTNV-SSDOTTSWSA-N	222.248	-0.341	50	10	BBGE	
Cc1cc(N(C)CC(F)F)ncc1B(O)O	1981413834	LCFPMKFOSWEVJJ-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
CC12CC(C1)N(c1ncncc1B(O)O)C2	1981415075	ZSOFAMODTRTPEC-UHFFFAOYSA-N	219.053	-0.855	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	1982260041	GQPKRABFIOINND-JEZHCXPESA-N	227.308	-0.421	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1[C@H]2COC[C@H]12	1982276274	KCKVJYKQPFXQHF-RULNZFCNSA-N	223.228	-0.452	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@H](C)CCCl)C1	1985799458	RSXNPDHRKDJJFO-SSDOTTSWSA-N	249.694	-0.002	50	10	BBGE	
C[C@@H](CN1C[C@H]2COC[C@@H](C2)C1)C(=O)NN	1988180090	DRCPSGGRSDKVKV-GUBZILKMSA-N	227.308	-0.419	50	10	BBGE	
O=C(O)C[C@@H]1C(=O)NCCN1C[C@@H]1C[C@H]1Cl	1991431053	BDFCGEMWHXKCRE-XLPZGREQSA-N	246.694	-0.111	50	10	BBGE	
CO[C@@]1(CO)CCN(C(=O)C=CC(=O)Cl)C1	1991651527	INBRNEBOOQODJG-JTQLQIEISA-N	247.678	-0.082	50	10	BBGE	
C=C(CN(C)[C@H]1CCCN(CC)C1)B(O)O	1992153316	NJYMIFODNILTAA-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
C[C@@H]1C[C@@H]1OCC12CC(C(=O)NN)(CO1)C2	1993882449	WBKBOOUBFCAOCU-NOFHBMEESA-N	226.276	-0.050	50	10	BBGE	
CN(CCC(=O)NN)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	1995620236	MYSPPQXHLWVXQZ-TUMQMXHCSA-N	221.304	-0.192	50	10	BBGE	
CC1(C)C[C@@H](CCn2cc(B(O)O)cn2)CO1	1997128245	SRYMFQWXHXSYFD-SECBINFHSA-N	238.096	-0.232	50	10	BBGE	
CCC[C@@H]1COCCN1[C@H](COC)C(=O)NN	2003903961	AEVCAUDXDFOGPC-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1	2003976691	NKRGZLHDYSZHDG-VWYCJHECSA-N	238.335	-0.608	50	10	BBGE	
CC[C@@H]1CC[C@@H]1N(C)c1ncncc1B(O)O	2004916421	LNNBCAKLODMLRB-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]2CO3)c1B(O)O	2004918530	MWJQXKAMEWOETN-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1COCCCN1c1ncccc1B(O)O	2004934995	KCBDBGWQCUERJH-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CC1(C)CN(c2ccncc2B(O)O)CCO1	2004936442	ZJXJWGMRTCUUND-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnccc1N1CCC(F)(F)CC1	2004938657	GKBAEOKZJKUIOB-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCOC[C@H]1C	2005016238	MTRDOZLNJPQUFT-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](F)C[C@@H]2C)n1	2005018287	RBTVSQLMNBVXKG-POYBYMJQSA-N	239.059	-0.598	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)[C@H]2C[C@H]2C1=O	2008869881	GYLZJTGZQUAICD-SYDPRGILSA-N	247.201	-0.993	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@H](C(=O)NN)C2)c(=O)o1	2010835077	KMSPPJVOBKKEAM-YUMQZZPRSA-N	240.263	-0.449	50	10	BBGE	
CC(C)C(=O)N1CCN([C@@H](C)C(=O)NN)CC1	2011419994	NYYHLWJBVCEQIK-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@H]1F	2013727032	DIZQDHPQVQUTBA-HRDYMLBCSA-N	249.286	-0.950	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2cc(F)cn2)n1	2021029019	AOBDDYBBTHZOCY-UHFFFAOYSA-N	238.226	-0.593	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	2021107404	RGJZZRVYSNMSBH-RNLVFQAGSA-N	243.018	-0.591	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H]2C[C@H](C1)O2	2021435879	RVOJDRCEWANXKO-OCAPTIKFSA-N	237.259	-0.144	50	10	BBGE	
CCCOC1CN(Cc2ccccc2B(O)O)C1	2040866336	MBOXZZAUBZJACQ-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@@H]32)nc1	2051854128	PPUMAEFTCCOHNE-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@@H]2C[C@H]21	2052474373	ZPORZQDNEKWKFB-FXPVBKGRSA-N	247.107	-0.219	50	10	BBGE	
Cc1cnc(N2CCC3(COC3)C2)c(B(O)O)c1	2052623133	FIVPUIFUFYSIKE-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
COc1c(B(O)O)ccc(C#N)c1Cl	2060105647	HIMRDODXNFRGEF-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1ccc(B(O)O)c(C#N)c1OC	2060284964	RSHGYACBDUWJNO-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)N1CC[C@@H](B(O)O)C1	2208731527	HLRNOGIABARYCY-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
C[C@H](CO)N(C)Cc1cccc(B(O)O)c1	2211139328	DDFQXVNCPSHONW-SECBINFHSA-N	223.081	-0.821	50	10	BBGE	
COC1CC(Nc2ncccc2B(O)O)C1	2212602564	GJZWIDBVVIQBMO-UHFFFAOYSA-N	222.053	-0.649	50	10	BBGE	
CC[C@@](C)(O)CNc1cc(B(O)O)ccn1	2212610836	PUKBASSEZJASNO-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
C[C@H](CN(C)CCc1cnn(C)c1)C(=O)NN	2213539345	QWKUCFGWXYVTPA-SECBINFHSA-N	239.323	-0.480	50	10	BBGE	
CCC1(CNc2ccc(B(O)O)cn2)COC1	2217180763	KQXHOSHNXMCCFL-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@@H]3C2)c1F	2217185180	YVBHOXXVUWKWRH-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@@H]2C3)nc1	2217196879	IXPRLFZCMIRDLS-KHQFGBGNSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1cc(B(O)O)ccn1	2217200922	VXPZQXWBXVTPOV-KCJUWKMLSA-N	238.071	-0.054	50	10	BBGE	
OCC[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2217203485	VTDZDHOTPOMJOP-DTORHVGOSA-N	236.080	-0.666	50	10	BBGE	
C[C@H]1CCNCCN1Cc1cccc(B(O)O)c1	2220054634	WNQCRUPGKJTICK-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H]3CC[C@H]2N3)c1	2223638280	VMYLIYHNOKOZIY-MXWKQRLJSA-N	247.107	-0.544	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCN[C@@H]2C)cc1B(O)O	2223650137	IQAFAHCXVQSORQ-MWLCHTKSSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC3(CC3)CN2)c1	2223668270	VVKCOGBAELGVLN-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
O=S(=O)(NOCCF)N1CC(Cl)C1	2241348318	QBWQVPMSCVGMMZ-UHFFFAOYSA-N	232.664	-0.355	50	10	BBGE	
CC1CN(C(=O)N[C@H]2CCC=C2B(O)O)C1	2242835749	FDRNJQBQSBWBJS-VIFPVBQESA-N	224.069	-0.252	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1ccoc1B(O)O	2243356797	NADPCIJQVXMKBY-FSPLSTOPSA-N	243.455	-0.684	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccsc1B(O)O	2243359179	PZIYUEFXTJTOEV-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
CCCCCNC(=O)c1ncsc1B(O)O	2243359673	WEDANMILHPLQSA-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
CC(C)[C@@](C)(CN)NC(=O)C1(B(O)O)CC1	2243364686	AVIADJPFHLJRSM-SECBINFHSA-N	228.101	-0.517	50	10	BBGE	
Cc1cc(C(=O)N(C)O)cc(C)c1B(O)O	2243372318	GHXOEYITJPQNTP-UHFFFAOYSA-N	223.037	-0.556	50	10	BBGE	
Cc1sc(C(=O)NOCCF)cc1B(O)O	2243383058	UFNHXBWNXWHGFY-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C[C@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CC1	2243397747	IHOOOQBDBGFJKT-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
O=C(C#CB(O)O)NC1CCC(F)(F)CC1	2243398608	FSAWXBISZSAQTJ-UHFFFAOYSA-N	231.007	-0.304	50	10	BBGE	
O=C(C#CB(O)O)NCCc1ccccc1	2243400951	KCHWEAPKHJFGJP-UHFFFAOYSA-N	217.033	-0.639	50	10	BBGE	
CC[C@H](C[C@@H](C)O)NC(=O)C1(B(O)O)CC1	2243409089	AVAIWGMBCPPGMJ-HTQZYQBOSA-N	229.085	-0.341	50	10	BBGE	
N[C@H]1C[C@H]1COc1cc(B(O)O)c(Cl)cn1	2245912657	DWPQCFZIDUWADS-XNCJUZBTSA-N	242.471	-0.859	50	10	BBGE	
CC1CCN(C(=O)c2coc(B(O)O)c2)CC1	2247734667	VIZVUEHXRDWHTN-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCCCC1	2247735230	XPTYHSRXRYLGEA-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	2247741729	DYGSLBVQDVURIU-RCWTZXSCSA-N	235.092	-0.057	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1ccoc1B(O)O	2247742519	PVQWJAZCHWPFGC-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CCCN(O)C(=O)c1ncc(B(O)O)cc1F	2247750761	NVVUCSAJOFDPNR-UHFFFAOYSA-N	242.015	-0.858	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755911	LPVUNUIPFJIGCQ-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CN1C[C@H]2CN(C(=O)C3(B(O)O)CC3)C[C@H]2C1	2247756855	OQRZSYYILQQSQQ-DTORHVGOSA-N	238.096	-0.987	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1nccn1C	2247798343	SNWIWKJZMYVTPN-UHFFFAOYSA-N	237.068	-0.364	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCCOC1	2247798716	WNINTZRMTAIOTM-NWGYLPEXSA-N	241.096	-0.075	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(CO)CCC1	2247800165	LVBYIOUGRHMOJH-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2247847840	CECWLGVDXYASPK-DSPMHBFJSA-N	233.076	-0.447	50	10	BBGE	
CCCOC[C@H]1CCN(C(=O)C#CB(O)O)C1	2247851324	XZSRHKHYTITXER-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ccoc1B(O)O	2247869145	MNIXFJQTURHJBY-QMMMGPOBSA-N	237.064	-0.122	50	10	BBGE	
CCC1(CNC(=O)c2cc(B(O)O)n[nH]2)CC1	2247885531	MXNVQCBJCORFJY-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@H]1B(O)O	2247887725	RDZXKQSWOCQAMS-RXKWGBCNSA-N	239.080	-0.800	50	10	BBGE	
CC[C@H](C)N(C)CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895804	VLVKLZABOOZUHK-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903173	IWUPZCPVKMZAEB-RGOKHQFPSA-N	240.112	-0.375	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)cc2O)C1	2247986544	WUWSUMUHIGIWBE-UHFFFAOYSA-N	233.032	-0.916	50	10	BBGE	
C=CCC1(NC(=O)c2cocc2B(O)O)CC1	2249410807	OSMZWXKUHVGUPK-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
COc1ccc(B(O)O)c(Oc2cccnc2)n1	2254709126	OPAWECLIZFFNAG-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1ccoc1B(O)O	2255460323	SDZASBQFAMDVHF-XKSSXDPKSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)nnc1C	2255482058	PGXMXFLGTIQTHA-UHFFFAOYSA-N	249.079	-0.283	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N(C)C1COC1	2255514073	CNNCHRJKJMEHEI-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
COc1ccc(C(=O)NC2(C)CC2)c(B(O)O)c1	2255525876	KWNLLAMDIINNJD-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2n[nH]cc2B(O)O)C1	2255551225	UWFBPMWLPQLREQ-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]32)oc1B(O)O	2255573582	PBWGCKNUMWMQRI-IUCAKERBSA-N	249.075	-0.108	50	10	BBGE	
CN(Cc1ncccn1)C(=O)C1CC(B(O)O)C1	2255579620	TXJCUGQXADHRMI-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1CC12CC2	2255691109	KLJLBHNZUXTTFT-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
CC1(C)CC(NC(=O)c2ccncc2B(O)O)C1	2255733217	HSZGERQLEMPIMS-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1ccoc1B(O)O	2257068662	YTWMFTYGNATBDL-CBAPKCEASA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(NC(=O)c2cocc2B(O)O)nc1	2258131089	PXMBKLRREKNOBF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccnn1C1CC1	2258962250	DWKYJCKOOJRORG-UHFFFAOYSA-N	247.063	-0.647	50	10	BBGE	
CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368917	BYDUPPCDLACDJT-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H]1CC12CCNCC2)[C@@H]1C[C@H]1B(O)O	2298371036	WFJHEGFOXGWNIQ-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371374	JXXFRJWDYKVXHP-KYXWUPHJSA-N	240.112	-0.600	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376702	JXXFRJWDYKVXHP-QCLAVDOMSA-N	240.112	-0.600	50	10	BBGE	
CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2298377484	SHRBAUKANVSSHE-HRDYMLBCSA-N	240.112	-0.552	50	10	BBGE	
CC(C)(CCO)Nc1cc(B(O)O)c(F)cn1	2303834126	AEOSVFGKSNXLQD-UHFFFAOYSA-N	242.059	-0.527	50	10	BBGE	
N#CC1(O)CCN([C@@](CN)(CF)C(=O)O)CC1	2305444671	ZLVDYRHOSWHXLQ-SNVBAGLBSA-N	245.254	-0.912	50	10	BBGE	
O=C(N1C[C@H]2CC[C@H]1[C@H](O)C2)C1(B(O)O)CC1	2306281070	OEVAJEKHSPJTLM-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@@H]3CC[C@H]2NC3)CC1	2308938630	HKSNPGKICPXPIK-MXWKQRLJSA-N	249.314	-0.139	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)[C@@H]3C[C@H]23)CC1	2309189774	NCGIUSFKQIMHMD-ZRUFSTJUSA-N	249.314	-0.153	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H](O)[C@H]2C3)cc1B(O)O	2312612284	NKXZIXPXEDVGGO-GDPRMGEGSA-N	248.091	-0.971	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H](C#N)C1	2317162181	QNLCWCJHXGHGCR-SECBINFHSA-N	241.059	-0.412	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1F	2320795898	AWQPRALSZATCHI-UVMAFCGOSA-N	248.066	-0.255	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)NCc1ccccc1	34584106	IQXHEXAQVVOKSY-QMMMGPOBSA-N	236.275	-0.136	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)[C@@H](C)Cl	37226253	JNQQGLQBYKUTLR-RFZPGFLSSA-N	209.629	-0.736	50	10	BBGE	
O=C(CN1CCCNCC1)NNc1ccccn1	37400052	IYIDXWDCIZIJBZ-UHFFFAOYSA-N	249.318	-0.180	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)C1CC=CC1	73984569	SUFBVUQIFAQJFS-SECBINFHSA-N	240.259	-0.485	50	10	BBGE	
CCN(CC)[C@H]1CCN(CC(=O)NN)C1	82469296	UISGXFPRWVKSSO-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CCCN(CCO)[C@H](C)CCC(=O)NN	82469877	YGNYJIQSQYYNNC-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
NNC(=O)CCCCN1CCCS1(=O)=O	82471392	PXZCTUDJRQOFLS-UHFFFAOYSA-N	235.309	-0.818	50	10	BBGE	
C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NN	82472685	ZLQNESHSGNFJHO-SCSAIBSYSA-N	243.292	-0.623	50	10	BBGE	
Cc1cc(=O)n(CCCC(=O)NN)c(C)n1	82599449	VYBXAUXNRYLAHM-UHFFFAOYSA-N	224.264	-0.370	50	10	BBGE	
C[C@H](CN)CSC[C@H](C)C(=O)NN	85320040	CFHFLJQFGGWDQN-RQJHMYQMSA-N	205.327	-0.060	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(N)=S)CO1	161850120	JOKFNJUEKMZFDD-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
CC[C@H](C)c1cc(C(=O)NNC(=O)CO)on1	180949196	OUHJABLYOGVJKM-LURJTMIESA-N	241.247	-0.059	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2ccnc2C)c1	203582036	MUVLMXGDKZBVMF-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCl)C(=O)N(C)C	232295167	YADLINOVESMPAF-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
CCN(CC1CC1)[C@H](COC)C(=O)NN	232420272	HQSAUJGMRKAITF-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
COC[C@H](S[C@H](C)CO)C(=O)NN	232421846	QIOGIMZQAGZJGC-RITPCOANSA-N	208.283	-0.895	50	10	BBGE	
C[C@H](Br)C(=O)N1C[C@H](O)[C@@H](O)C1	235427854	UGGICGAXWJYHPA-ZLUOBGJFSA-N	238.081	-0.666	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCCC[C@H]1O	252923244	JOVLPBBAEASTDW-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)CCC(=NNC=O)C(=O)OC	254508968	DNOOLQPILORATF-UHFFFAOYSA-N	216.193	-0.785	50	10	BBGE	
C[C@H](SCC(N)=O)[C@@H](C)C(=O)NN	300803631	JMRHIRXSPXOWRP-UHNVWZDZSA-N	205.283	-0.781	50	10	BBGE	
C[C@H]1[C@](C#N)(N=C=O)CCS1(=O)=O	306327326	VRJDNYBYBGTYAY-BQBZGAKWSA-N	200.219	-0.208	50	10	BBGE	
CN(C)C1CN(C(=O)NC(=O)CCl)C1	307737522	VAFLCXCRFQQVKY-UHFFFAOYSA-N	219.672	-0.293	50	10	BBGE	
O=CNNC(=O)CSc1nncs1	308387490	VRUPJPGIBRTTKB-UHFFFAOYSA-N	218.263	-0.593	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1cnn(C)n1	308791439	BDKZKVDJEPHFKK-ZCFIWIBFSA-N	232.671	-0.201	50	10	BBGE	
C[C@@H]1OCCN(C(=O)NN(C)C)[C@@H]1C(=O)O	328462492	KFYYZWAMVQERAW-BQBZGAKWSA-N	231.252	-0.654	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1C[C@@H]2C[C@H]2C1	380354139	SPFAFSPSMGAACM-UWVGGRQHSA-N	247.103	-0.173	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](O)CC1	382013644	NKYWXBRPWCRQDX-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
COc1cc(Cc2nc[nH]n2)ccc1B(O)O	382743026	WJIFCJMHTCLLFZ-UHFFFAOYSA-N	233.036	-0.916	50	10	BBGE	
COC(=O)[C@@H]1CN2CC[C@@H](C2)N1C(=O)CCl	383562138	UENNIUYKSINTAK-YUMQZZPRSA-N	246.694	-0.317	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@H]2COC[C@H]21	384776490	GPYSZFULGPYQMD-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
COC(=O)c1ccc2oc(B(O)O)nc2c1	396109230	CWJHJOMSPHLHLF-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
Nc1c(CO)c(B(O)O)cc2sccc12	396246145	NYKBTFFFCKCVDU-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1cc2sc(O)cc2cc1B(O)O	396376060	DKWFMQICJIUZMF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)C[S@@](C)=O	399935579	ZFMXPPXUVGHDLL-AGRCIMAESA-N	249.380	-0.156	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)CCC(=O)NN	399993450	VLJWUKHYQLUWRS-JKYUHCHBSA-N	221.326	-0.935	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cccnc1	404974818	AEBFUFIIYGGGGH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C#CCOC(=O)Nc1ccc(C)cc1B(O)O	405076863	IEQMCUWCRIYFON-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
C#CCOC(=O)Nc1ncc(B(O)O)s1	405098096	YQNMATOFEHUWHV-UHFFFAOYSA-N	226.022	-0.995	50	10	BBGE	
O=[S@](Cl)[C@H]1CS(=O)(=O)C[C@H]1O	675067966	LIOZNXLVWTTWRE-XTZAULBFSA-N	218.683	-0.953	50	10	BBGE	
N#CC1(O)CCN([C@@H]2CCS(=O)(=O)C2)CC1	687808406	UPGWLXRRJQQGNH-SECBINFHSA-N	244.316	-0.476	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1CCC(=O)NN	688639919	NXFJYCYCTXDVHK-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](CN=C=O)C1	690716150	FGKYFZIJPBFQRL-ZETCQYMHSA-N	204.251	-0.396	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12CCCN(CC1)C2	691490478	IDIIMFKICXQHQK-ZYHUDNBSSA-N	240.351	-0.218	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCCN)CC1	692113446	JSIOTCNBNZCGTD-UHFFFAOYSA-N	211.265	-0.398	50	10	BBGE	
CC(C)N(C[C@@H](C)O)[C@@H](C)C(=O)NN	692171153	AVDHBWZFJCIJCG-SFYZADRCSA-N	203.286	-0.544	50	10	BBGE	
CNC(=O)NCCNC(=O)OCCl	703090740	VLSBOTPPNRDACW-UHFFFAOYSA-N	209.633	-0.162	50	10	BBGE	
C[C@H](Br)C(=O)N(C)Cc1nn[nH]n1	706753325	ZDJHDXMOYBRYGF-BYPYZUCNSA-N	248.084	-0.059	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CSC[C@H]2C1	711526739	UBSJTXSOGOSLSO-HRDYMLBCSA-N	245.348	-0.714	50	10	BBGE	
CC[S@](=O)N1CCc2cc(B(O)O)ccc21	712225620	CZDQMSJIOLUXHB-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
C[n+]1[nH]cnc1CN[S@+]([O])(=O)CCl	725599081	XJVLYZJYMKVINP-ZDUSSCGKSA-O	225.681	-0.720	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCS1)c1cnn[nH]1	743753434	JCENRGMXMXGOPF-ZCFIWIBFSA-N	241.276	-0.539	50	10	BBGE	
O=C(CO)NN=Cc1cc(-c2cccnc2)n[nH]1	776779678	JCUXVNHQMLUZQF-UHFFFAOYSA-N	245.242	-0.086	50	10	BBGE	
CC(C)(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCCO1	817213931	NSCRGXSZPOBPET-HTQZYQBOSA-N	244.291	-0.280	50	10	BBGE	
CCO[C@H](C)C(=O)NNc1nnc(C)n1C	856050992	MZXOSGFMSVUDJO-ZCFIWIBFSA-N	227.268	-0.008	50	10	BBGE	
CCC/C=C\[C@@H](O)C(=O)NNC(C)=O	899927876	VAAYASYKIASYSM-RPSMYOMKSA-N	200.238	-0.129	50	10	BBGE	
CCCn1cc(C(C)=NNC(=O)CCO)nn1	1119619763	BOHYRETZXTXLJQ-UHFFFAOYSA-N	239.279	-0.089	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1cccnn1	1153524892	ZGITWEPDZBFGOS-FNORWQNLSA-N	236.231	-0.212	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)N(C)C	1597966388	OVXGVSSHRVZZHB-ZETCQYMHSA-N	213.237	-0.673	50	10	BBGE	
CN(C)C(=O)NNC(=O)C[C@@H]1CCC(=O)NC1	1631399043	QJSJXQDNFRNVNV-ZETCQYMHSA-N	242.279	-0.795	50	10	BBGE	
N[C@H](CNC[C@H]1C[C@H]1Br)C(=O)O	1881362682	LCALLYKQZLKXSM-HSUXUTPPSA-N	237.097	-0.229	50	10	BBGE	
NOCCS(=O)(=O)NC1CC(Cl)C1	1881719933	XQKGLZXPGVJIJT-UHFFFAOYSA-N	228.701	-0.434	50	10	BBGE	
NCCSSCCN=c1nc[nH][nH]1	1882322570	GWGZHWGJFGAIML-UHFFFAOYSA-N	219.339	-0.021	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NC[C@H]1C[C@@H]1Cl	1883550911	HJJSCWQMXSSOAS-VZFHVOOUSA-N	206.673	-0.562	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883634961	QJKSMRKLHLZHAN-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
CCN(CC)[C@H](C)COCC(=O)NN	1884726184	OVOBMSLXJFQGHY-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H]1COCCO1	1884831141	MTEOFXIWEDXSTH-HTQZYQBOSA-N	217.652	-0.241	50	10	BBGE	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1O)OCCl	1884984642	OTKQMICEPSXOJF-CRCLSJGQSA-N	243.668	-0.933	50	10	BBGE	
CC(=O)NCCS(=O)(=O)CCCl	1886695410	WSDQDQXVDOOZPQ-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
CS(=O)(=O)CC[C@@H](NC(=O)F)C(=O)O	1887186208	JVBBYYMSZICVGN-SCSAIBSYSA-N	227.213	-0.447	50	10	BBGE	
CSSCCNC(=O)C1(N)CC(O)C1	1890287548	PHCVVEHNKCPMQV-UHFFFAOYSA-N	236.362	-0.034	50	10	BBGE	
CC[C@H]1CN[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901339421	NTEWPVCAUNJFNL-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H]1C[C@H](O)CN1	1901997558	NDBZZWUEHRNQIV-UWVGGRQHSA-N	229.324	-0.138	50	10	BBGE	
CC(C)(C#N)OCCN1CC[C@H](B(O)O)C1	1902516542	CNENMPOBMDQUPG-VIFPVBQESA-N	226.085	-0.146	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CNC(=O)C2)C1	1902551569	RPXISINYXBQMOB-WCBMZHEXSA-N	226.085	-0.939	50	10	BBGE	
CNC(=O)C[C@@H]1CNCCN1C[C@H](Cl)C#N	1902722059	HAJUXNPGDIVUMR-RKDXNWHRSA-N	244.726	-0.473	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]12C[C@](N)(C1)C2	1903045426	AQGBOWKLBFGMPQ-DTORHVGOSA-N	247.320	-0.820	50	10	BBGE	
N=C(C[C@H](O)CNC[C@H]1C[C@@H]1Cl)NO	1903813247	CAKRTKNIAVHFNT-VQVTYTSYSA-N	221.688	-0.090	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2[C@H](C(=O)NN)C(C)(C)C	1908889978	JEGTWSDRYYSDIG-LPEHRKFASA-N	240.351	-0.221	50	10	BBGE	
C[C@H](Cn1nc2ccccn2c1=O)C(=O)NN	1912213917	ANNQSUNAGILXCK-SSDOTTSWSA-N	235.247	-0.878	50	10	BBGE	
NNC(=O)COCCN1CC2(CCC2)C1	1914499094	OUAZTEIDRWYFPM-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CN([C@H]1CCNC1=O)[C@H](C(=O)NN)C(C)(C)C	1916212710	SMFHQKSRSMDFTD-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
CN(CCF)Cc1ccc(F)c(B(O)O)c1	1917270190	YQVLSXNKXWTLPL-UHFFFAOYSA-N	229.035	-0.093	50	10	BBGE	
N[C@@H]1C[C@@H]1NS(=O)(=O)CBr	1923227844	POLALRBJFLWHLE-DMTCNVIQSA-N	229.099	-0.642	50	10	BBGE	
CNC(=O)CCSC[C@H]1C[C@@H]1C(=O)NN	1927917077	INPBVTOCTBXONV-RQJHMYQMSA-N	231.321	-0.518	50	10	BBGE	
CCO[C@@H](C)Oc1cncc(B(O)O)c1	1927939597	JABXOXHUUBIZPN-SSDOTTSWSA-N	211.026	-0.477	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCC[S@@](C)=O)C1	1928750607	HWEWSXJCVFZRSA-UVPNAGLESA-N	224.757	-0.124	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@]12CCOC2	1935056826	ZNBYLQYOJFLHAF-PSASIEDQSA-N	213.281	-0.665	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2nccc2C1	1936148457	DSDZNPSYOCGVJT-SECBINFHSA-N	223.280	-0.533	50	10	BBGE	
CC[C@@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1937984438	NNFOPJHMBDKUKO-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3CCC[C@H]32)CC1	1938248234	CKUUPGBGSXNNHM-JGVFFNPUSA-N	223.276	-0.233	50	10	BBGE	
COCCN(CCOC)C[C@@H]1C[C@H]1C(=O)NN	1941090131	NEWWSCLBUTUNKY-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C(CO)[C@H]2C1)C(=O)NN	1943071067	RVCIPACTUUEXBW-IUCAKERBSA-N	241.335	-0.437	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C(=O)CC[C@H]2C1	1944397519	IPMBAKPMFGMEOQ-DTWKUNHWSA-N	239.275	-0.935	50	10	BBGE	
COC[C@]1(OC)CCCN(CC(=O)NN)CC1	1946475048	QVHAVIBNDLPLCQ-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)[C@@H]1CCOC1	1946751674	GPUZTOMCRZVGQZ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@@H]2C[C@@H]21	1953943090	AXBXBSYGWDMIGH-HRDYMLBCSA-N	204.701	-0.026	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]1CC(=O)O	1956355153	KZZBGEUGXQOPFO-ZCFIWIBFSA-N	201.226	-0.278	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](N2CC(O)C2)C1	1958208834	ANUPFAFWDNKLRP-JGVFFNPUSA-N	232.711	-0.109	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@@H](O)C2)[nH]1	1958249584	JPIOAEFSYYQXTP-SYDPRGILSA-N	229.671	-0.620	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCC[C@]2(CO)C1	1958414833	BKJOARPXSXPMTP-WCBMZHEXSA-N	213.281	-0.929	50	10	BBGE	
CCOCC1CN([C@H](CC)C(=O)NN)C1	1960429840	KHGZJNVPEODHFC-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(F)CC1C2	1960682596	BUAKLALGWSLZKV-GHEZPCSUSA-N	213.256	-0.201	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1CCC(=O)NN	1961683259	GSPXCWJFQMZTDE-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CC[C@@H]3C2)n1	1961717489	BBTSXFAITPTWIE-RNFRBKRXSA-N	224.094	-0.331	50	10	BBGE	
CCN(CC)c1ccc(B(O)O)c(C)n1	1961718118	KHWIJGPXWONIES-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
CCN(C)C[C@H]1CCN([C@H](C)C(=O)NN)C1	1980792037	ZMQXCECZOKKZRN-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C[C@H](O)CO)CC1	1983999483	XOSFUGABOYKEBJ-ZJUUUORDSA-N	247.726	-0.912	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1C[C@H](CO)CO1	1991716435	JSCXQYYVOAAETM-XLNBVVSQSA-N	247.678	-0.178	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993215520	YVRNUJZTSOEBLV-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(CN1CC[C@]1(C)CCO)C(=O)NN	1994707830	UEGJTSKDXHMYFW-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)C[C@@H]1CO	1994832215	CIDASGUMFIXZNS-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@](F)(CO)C1	1995938567	YHQICEQLGVTINP-LLVKDONJSA-N	247.314	-0.057	50	10	BBGE	
CC1(C)CC(=O)N1C[C@H]1CC[C@@H](C(=O)NN)O1	1996581314	BKWCUKPCXLRYLF-SFYZADRCSA-N	241.291	-0.465	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)OCC1(C)C	2002289717	GOOMDKXCOYICGB-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CN(CCCC(=O)NN)C[C@]1(C)COCCO1	2005977807	MFJYOZCEVWEWHT-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CCC1CC(Cn2cc(B(O)O)ccc2=O)C1	2008840446	MIFVTMUERRROLQ-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ncccc1C(=O)NN	2011374270	SKHJQZJRCUOYNQ-GMSGAONNSA-N	236.275	-0.750	50	10	BBGE	
COC[C@@H](C)OC(=O)N[C@H]1CCC=C1B(O)O	2020063132	WCNLWLQWKKBJID-APPZFPTMSA-N	243.068	-0.152	50	10	BBGE	
C=C(CN1CCC(OCCOC)CC1)B(O)O	2021157362	LCIZPWHVKMUJBV-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@@H]2COC[C@H](C1)C2	2026029160	IRKQKONFGSQLMX-CBLAIPOGSA-N	241.291	-0.845	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc2c(N)ncnc21	2028051918	NUHYXRUICSAPGJ-RITPCOANSA-N	247.262	-0.966	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CC3(CC3)CO2)c1	2047626666	CHLQPLFFUOPRBI-LLVKDONJSA-N	249.075	-0.291	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ncncc1B(O)O	2052462651	QWPYKCZHQKALSG-MYJAWHEDSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnc(N2Cc3ccccc3C2)nc1	2052469668	TZHXTDMIAKSFPC-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
CN(C)C[C@H]1CCN(c2ncccc2B(O)O)C1	2052499664	XAUSSCMPQDTFGD-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
CCc1nc(C)cn1-c1nc(C)ncc1B(O)O	2052599790	MMZAUOWDODVHSH-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
CCc1nc(C)cn1-c1ncnc(C)c1B(O)O	2052600503	YMACVGRXBNZKHU-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
CCN(c1cc(C)c(B(O)O)cn1)C1CN(C)C1	2052622416	UKKRGIHTMVKWRM-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(F)c1B(O)O	2060091050	QGUOKCBTRXQWDF-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1cc(B(O)O)cc(C#N)c1[N+](=O)[O-]	2060205948	KYKLPQZFYZXNKM-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1C[C@H]2CC[C@@H]2C1	2068702252	IAPUOYDDAIOXCX-GHMZBOCLSA-N	247.103	-0.036	50	10	BBGE	
CN1CCC(OCc2cccc(B(O)O)c2)CC1	2077331532	YANXENAKRKQOAK-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
Cc1nc(N2CC[C@@H]3COC[C@@H]32)ccc1B(O)O	2077847752	ZAFIMMRPRSNPOC-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1C2(CC2)C12CC2	2083524364	YYRIOVSJUCPYEM-UHFFFAOYSA-N	245.087	-0.282	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)C[C@@H](F)C1	2210691403	FQJOIMNHYKJMRH-JQCXWYLXSA-N	233.287	-0.594	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1ncncc1B(O)O	2211059452	PVNVVPXHGNWVNJ-RCOVLWMOSA-N	226.016	-0.717	50	10	BBGE	
C[C@@H]1COCCN1Cc1nscc1B(O)O	2211137976	NQAZUAPZSLSDGD-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
O=C(CCCl)N1CCN2C(=O)COC[C@H]2C1	2211718770	UNCINKXFNIQDEB-MRVPVSSYSA-N	246.694	-0.315	50	10	BBGE	
CN(C)CCCOC[C@H]1CC[C@H]1C(=O)NN	2211839713	YCOIXDGCQDBYAW-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCCC[C@@H]21	2212677068	GDIJXWRFENKEDD-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H]3C[C@@H]32)[nH]c1	2217175197	FVVMXOXNOXLGFB-NRPADANISA-N	233.080	-0.964	50	10	BBGE	
CN(C)CCCCNc1ncccc1B(O)O	2217176074	RAFZRJJYSNTRJG-UHFFFAOYSA-N	237.112	-0.485	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)on1	2217179555	MMCNZGNIARDEMN-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CC[C@@H](O)CN(C)c1cc(B(O)O)c(C)cn1	2217182496	CYQSBDZTZOTJLK-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCCCNC2)nc1	2217185151	ULSSFUBHDMIIKQ-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CCN(C)CCOc1nccc(B(O)O)c1F	2217195043	DXUPAAYRAUAHLF-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C1CCC1	2217196088	CFMUHCZMXRETIK-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
CO[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217196345	QXDJXDUMQUUDBN-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1CCC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217202658	YKLSCYWZNOXMTJ-BDAKNGLRSA-N	235.096	-0.574	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1c1ncccc1B(O)O	2217202729	ZHMWVCHLYZGLJD-DTWKUNHWSA-N	236.080	-0.889	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccccc1B(O)O	2218451039	XMXGJCGOALJVET-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCCN1	2220062029	FKDGGCNQLRFJMR-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1cccnc1N1CCC12CCNCC2	2223632577	LQMKLXGJSJBHPB-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)c1cc(B(O)O)ccn1	2223633404	WHVRDFDKARHXNI-FOGDFJRCSA-N	248.091	-0.768	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1c1cc(B(O)O)ccn1	2223634424	KQIRDTGSLRJRLZ-SNVBAGLBSA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3OCCC[C@H]32)nc1	2223675014	ORACXZHBIQGNBS-AXFHLTTASA-N	248.091	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CC(=C2CC2)C1	2224028436	CNYIRUMFJHLJOA-UHFFFAOYSA-N	246.075	-0.577	50	10	BBGE	
O=C(NO)c1cc(B(O)O)c(Cl)s1	2241584718	SCEDMFMBNNYWOV-UHFFFAOYSA-N	221.430	-0.800	50	10	BBGE	
C=CCCCNC(=O)c1occc1B(O)O	2243364530	YORXPNHLGVYZBP-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N(C)C	2243366609	FUYHIRCDFJFZBO-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243396676	PJQUPUKBOBLOFT-UEJVZZJDSA-N	222.053	-0.389	50	10	BBGE	
CC1(C)[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243404039	ICSZWHMABKBVLE-FXQIFTODSA-N	227.069	-0.779	50	10	BBGE	
CCC[C@@H](O)CCNC(=O)C1(B(O)O)CC1	2243411407	SOMBXONMGOWPQT-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
C[C@@H]1OC2(C(=O)O)CC1(NC(=O)NN(C)C)C2	2247272270	KJFNFZZDABQPOF-OUBRSPPYSA-N	243.263	-0.463	50	10	BBGE	
O=C(NCCCC1CC1)c1coc(B(O)O)c1	2247733483	NPZRUXISOOTECK-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cscc2B(O)O)C1	2247738584	SFEDVQMFUWSXKJ-OCAPTIKFSA-N	249.100	-0.431	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ccc(B(O)O)o1	2247739872	CCXMDCPSWASVCP-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)o1	2247747568	PEKOXMFMKZRRTO-RNFRBKRXSA-N	235.048	-0.655	50	10	BBGE	
O=C(NCC(F)F)c1cccc(F)c1B(O)O	2247759911	YQCMJDGWIKKZRE-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(N)=O	2247787549	QLPLVRFKWMFZIS-GJMOJQLCSA-N	242.084	-0.990	50	10	BBGE	
O=C(NCc1cccc(O)n1)[C@@H]1C[C@@H]1B(O)O	2247792742	UUDQZGOSGPSCEC-SFYZADRCSA-N	236.036	-0.734	50	10	BBGE	
O=C(NC[C@H]1CC[C@H](O)C1)C1CC(B(O)O)C1	2247798849	XRXUAOMYCIYKMF-NFTFJBJSSA-N	241.096	-0.483	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)C1CC(B(O)O)C1	2247808838	WISAZHHBIFHPCQ-UDNWOFFPSA-N	242.128	-0.271	50	10	BBGE	
C[C@@H]1CC[C@@H](CCN(C)C(=O)C#CB(O)O)O1	2247850099	JUFCGTUXXKBJCR-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247852451	USZGDTITBVMAMQ-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
O=C(NC[C@H](F)[C@H]1CCOC1)C1(B(O)O)CC1	2247854794	IMNKCUOOGNTHGE-YUMQZZPRSA-N	245.059	-0.516	50	10	BBGE	
O=C(N1[C@H]2CCC[C@H]1COC2)C1(B(O)O)CC1	2247871793	HUBCHEYHVMNWCJ-IUCAKERBSA-N	239.080	-0.227	50	10	BBGE	
O=C(NC1(CCF)CC1)c1coc(B(O)O)c1	2247872763	YEGBLFLJCQAAFV-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
COC[C@@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2247873597	DXRXMBRKLFWBAL-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(NC[C@]12COC[C@H](C1)C2)[C@@H]1C[C@@H]1B(O)O	2247887671	QNINOOUEMMISFS-REIXXSIJSA-N	239.080	-0.608	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)C1CC(B(O)O)C1	2247892419	AKXCXMGLKWTFJD-UDNWOFFPSA-N	243.112	-0.285	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@H]1CO	2247893331	QBUCCNOHMVFMFR-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
C[C@@]1(N)CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895932	WDEXKQMQQDBLRW-FXPVBKGRSA-N	240.112	-0.421	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902750	GZNLZFIBVKDMGD-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C=CCONC(=O)Nc1ccc(B(O)O)cc1	2247969507	CFHQJEJCRYHNHI-UHFFFAOYSA-N	236.036	-0.395	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249427727	KKGVTDOQKNTYHI-SECBINFHSA-N	235.048	-0.346	50	10	BBGE	
O=C(Nc1nncn1C1CC1)C1(B(O)O)CC1	2250332030	OWHKXZKKERZTSU-UHFFFAOYSA-N	236.040	-0.442	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250702576	IADKSYNJAWTGDV-IEZMZVKSSA-N	238.096	-0.953	50	10	BBGE	
CC=C1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255522885	PJLOAFDVZONTEB-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC#CCCNC(=O)c1cc(C)cc(B(O)O)c1	2255735791	ANTLPWWWTFNPGI-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ncc(B(O)O)cc1C	2257486272	GONLEWMFBUYQLL-QMMMGPOBSA-N	248.091	-0.378	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297961109	JVEWQQITFYTBTO-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298369798	FUKGTHFPZHVLGY-UTLUCORTSA-N	241.096	-0.267	50	10	BBGE	
CN1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371313	HPYMXNAZLWPMTP-OPRDCNLKSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1C	2298371557	OXCPGTSYUUZHDR-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]1C1(O)CC1	2298375436	KEVRSAOSNOYICO-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
C#CCCOC(=O)Nc1ccnc(B(O)O)c1	2300781424	HAAVXNDBDTUOIE-UHFFFAOYSA-N	234.020	-0.667	50	10	BBGE	
CCN1C[C@@H](CN2CC[C@H](B(O)O)C2)OC1=O	2303098014	SYZAIDXCXUAGPH-DTWKUNHWSA-N	242.084	-0.624	50	10	BBGE	
C=C1COCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2306890156	LYDOJWXSKBEQML-AOOOYVTPSA-N	239.080	-0.346	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3cc(B(O)O)co3)[C@@H]1C2	2313081031	BTFZEWYYTDCSGX-SBMIAAHKSA-N	249.075	-0.122	50	10	BBGE	
C#CCOCCNc1ccc(B(O)O)cc1C#N	2317162023	HPWQXWVNCQICIQ-UHFFFAOYSA-N	244.059	-0.700	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCN(C)CC1	82466469	ISZFCKNIQZNNIJ-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCC2=O)O1	82468372	ZDLBXYRKVXDPDM-YUMQZZPRSA-N	227.264	-0.854	50	10	BBGE	
C[C@@H](CSc1nncn1C)C(=O)NN	82471952	OHWOFLWAGFKBSK-YFKPBYRVSA-N	215.282	-0.467	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1CC(O)C1	84453469	ZKALAACNJXEZIR-JECWYVHBSA-N	201.270	-0.933	50	10	BBGE	
O=C(c1cn[nH]n1)N1CCN(CCCl)CC1	87602008	QQYWEDXJFHAQMR-UHFFFAOYSA-N	243.698	-0.199	50	10	BBGE	
CCOC(=O)CCC(=O)NNC(N)=S	114403897	ADXKSPBRBRKSST-UHFFFAOYSA-N	219.266	-0.806	50	10	BBGE	
CCSC[C@@H](C)NC(=O)C(=O)NN	157043799	SYXVRZWKGHKLDP-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
CC(C)[C@H](N)C(=S)N(C)CB(O)O	198299582	MYXXAEHQCQISIS-LURJTMIESA-N	204.104	-0.759	50	10	BBGE	
N[C@H](CC1CC1)C(=O)N1CCC[C@@H]1B(O)O	205615627	NGDCTNACLXSLPV-RKDXNWHRSA-N	226.085	-0.883	50	10	BBGE	
COC[C@H](CCl)NC(=O)[C@@H]1COCCO1	228931031	RCPIXHFDPWQUJJ-YUMQZZPRSA-N	237.683	-0.228	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CCO)C1	229247862	NFKGSRQRHIUDGA-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CO[C@H]1CN(CCCCC(=O)NN)C[C@H]1OC	234788716	PABZHYVEIVYICB-AOOOYVTPSA-N	245.323	-0.508	50	10	BBGE	
OCCN1CCN(c2nnc(CCl)o2)CC1	236495235	MLJFEAPFEDGGGH-UHFFFAOYSA-N	246.698	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H]1C(N)=O	251502581	HSAUJGBUPHRNEO-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)[C@H]1CCCO1	293396859	PLJWRJRTXFGQRR-MRVPVSSYSA-N	228.248	-0.318	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNC(N)=O	300929230	CVIHYKYNMKWQMA-PHDIDXHHSA-N	201.226	-0.642	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H]1COC[C@H]1O	306357855	YDCJCNVFHHJUTF-HSUXUTPPSA-N	238.081	-0.354	50	10	BBGE	
CCCOc1ccc(B(O)O)cc1C=O	308812994	OKLZMMZHKIYRJF-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
COCCOCCN(C)[C@@H](C)[C@H](C)C(=O)NN	383247402	FOBUPQSBLNIFIK-UWVGGRQHSA-N	247.339	-0.404	50	10	BBGE	
OB(O)c1cc(Cl)nc([C@@H]2CCCNC2)c1	393777793	HAOLZODHIRPELE-SSDOTTSWSA-N	240.499	-0.118	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1C=O	396046297	DQNISOAXVWTNDS-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1cc(B(O)O)c(C=O)c2ccsc12	396233394	CARMTLAYEWZPDM-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Cn1cncc1C(=O)Nc1cccc(B(O)O)c1	404938440	JNCGSHZIPZKBND-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1N=C=S	606276867	JCBWVHUISASKLQ-RITPCOANSA-N	207.276	-0.099	50	10	BBGE	
Cc1nc(CN2CCC(O)(C#N)CC2)n[nH]1	692121090	LWZPZWHABHZCCK-UHFFFAOYSA-N	221.264	-0.036	50	10	BBGE	
OB(O)c1ccn(Cc2c(F)cccc2F)n1	694274887	FQIOUZOXDXAJFK-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cn1)c1ccccn1	694532395	SRPRYKYQUUGJSR-SECBINFHSA-N	231.064	-0.238	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1ncon1	703440206	UTKLFKHTJWHAPW-PHDIDXHHSA-N	223.188	-0.514	50	10	BBGE	
CCOCC(=O)N1Cc2ccc(B(O)O)cc2C1	707958717	AVGBXSXYHBQGDM-UHFFFAOYSA-N	249.075	-0.755	50	10	BBGE	
CN(CC(C)(CO)CO)C(=O)CCl	708341984	PCWRBFZYACMKCX-UHFFFAOYSA-N	209.673	-0.326	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=O)[C@@H]1CCCCO1	711913097	MHJLFEVVGLFOJH-RQJHMYQMSA-N	215.253	-0.109	50	10	BBGE	
COCC(=O)N1CCCc2cc(B(O)O)ccc21	712198767	WSPRLVRSPKPSGF-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CC(C)(CN1CCC[C@@]1(C)CO)C(=O)NN	723001636	ZLJCTWJXZZONRS-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@H]2COCCO2)CC1	760580032	BTJCDTFEWVJWBW-SSDOTTSWSA-N	228.248	-0.651	50	10	BBGE	
COCCC(=O)NNC(=O)[C@H]1CCCO1	814343927	DZLWWKFSQZOEKO-SSDOTTSWSA-N	216.237	-0.651	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)CCc1ccco1	824889720	UIIPLEYGJDWDGS-VIFPVBQESA-N	238.243	-0.094	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC23CCC3)nn1	855188902	WGBDKKYWUPASTC-ZETCQYMHSA-N	249.274	-0.234	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	858089550	WPUFHLJYBLYUGI-HTQZYQBOSA-N	225.248	-0.483	50	10	BBGE	
CN(NC(=O)[C@@]12CCCN(CC1)C2)C(N)=O	897278099	ORNSMUYSPGTHLU-JTQLQIEISA-N	226.280	-0.486	50	10	BBGE	
COC(OC)C(=O)NN=c1cc[nH]cc1F	898753995	CWXYEQOHRBMCHV-UHFFFAOYSA-N	229.211	-0.295	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1cccnn1	1153523864	MYJNGVBZMMFPQD-KHVHVRLGSA-N	236.231	-0.825	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(B(O)O)c1	1155139611	GOKSGXIPXVPSQD-QMMMGPOBSA-N	217.033	-0.882	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1ncnc2[nH]cnc12	1457655174	GEABTLVJPDPUBL-SNVBAGLBSA-N	248.246	-0.267	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)C(C)C	1538883922	SGACTVBVIOCNLI-UHFFFAOYSA-N	213.281	-0.092	50	10	BBGE	
CCONC(=O)NNC(=O)c1ncccn1	1564595487	YYVOSNWNBXVIFI-UHFFFAOYSA-N	225.208	-0.628	50	10	BBGE	
Cn1ncc2c(O)nc(NNC(=O)CC#N)nc21	1585954073	YUTXJCPSRQCUOI-UHFFFAOYSA-N	247.218	-0.574	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)CO)CC1(F)F	1650909498	ATMPYCHBQZLFDI-ZCFIWIBFSA-N	208.164	-0.829	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@@H](Br)C1	1880519319	GRZXRFUWXIQZQR-WDSKDSINSA-N	225.082	-0.124	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)C1COC1	1881741567	FSLQBUNJENWKON-RNFRBKRXSA-N	205.641	-0.245	50	10	BBGE	
O=C1NCC2(CN(CCCCl)C2)N1	1882009060	SDMNUMDUWDSKQB-UHFFFAOYSA-N	203.673	-0.018	50	10	BBGE	
OC[C@@H]1[C@H]2CN(C[C@H](O)CCl)C[C@H]21	1882366190	NXKCBZOCDLZVDR-HXFLIBJXSA-N	205.685	-0.244	50	10	BBGE	
N[C@H](C(=O)NC1CC(Cl)C1)C1COC1	1884419223	FPLKVYBVEPNFTG-RRQHEKLDSA-N	218.684	-0.154	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1CO	1886212185	XPMUZXWJMZILFD-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
Cc1c(CN)cc(CS)cc1B(O)O	1887521082	XAAFNJDRIXFDEO-UHFFFAOYSA-N	211.095	-0.437	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCSC1	1892034916	FXMBOZGPNCMOSH-KNVOCYPGSA-N	215.083	-0.228	50	10	BBGE	
COC(=O)[C@H](N)C[S@](=O)C[C@H]1C[C@H]1Cl	1893117504	AZBJDFGTSQATQS-VBPDCLQYSA-N	239.724	-0.137	50	10	BBGE	
O=C(O)C(NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475502	UYVJVUYBSYKEIY-STHAYSLISA-N	221.596	-0.732	50	10	BBGE	
COC[C@@H](O[C@@H]1CC1(C)C)C(=O)NN	1900686295	LKQRQCZTLUJWNT-RNFRBKRXSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(CCO)C1CC1	1901753320	TTXBHURASCBFHC-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COC(=O)C(C#N)=C1CCS(=O)(=O)C1	1911595797	NNMHBXOUWFLMHR-UHFFFAOYSA-N	215.230	-0.202	50	10	BBGE	
N#CC1=CCN(C(=O)N[C@H](CO)C(=O)O)CC1	1917056815	NIEUYLJUXLVIFN-MRVPVSSYSA-N	239.231	-0.703	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CCS2(=O)=O)CC1	1917101926	AHDILOZLAYYAJH-VIFPVBQESA-N	240.284	-0.144	50	10	BBGE	
COC[C@@H]1CC[C@@H](N(C)CC(=O)NN)C1	1918713644	IKMGNFYMDALELK-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]1CO	1929740759	MFOVINHGQGQMHA-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](F)[C@H](O)C1	1929912429	HQUQUBKFJOCBEQ-JGVFFNPUSA-N	219.260	-0.839	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)CCCC1=O	1936085642	RQIWQVJZFGSZDS-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](N=c2[nH]ccn(C)c2=O)C1	1937190652	PHEOCSJPRQVVCG-YUMQZZPRSA-N	242.710	-0.465	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937460688	JNZGCHGWNCDCFX-SQXHDICFSA-N	227.308	-0.829	50	10	BBGE	
CC(=O)NNC(=O)CN(CCN)CC(C)C	1937461307	QQJKAAHEPCQRJR-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
CO[C@H](C)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1940578728	RNNHEOZYDAUSPB-BDAKNGLRSA-N	241.291	-0.774	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@H]1C[C@H]1C(=O)NN	1941089401	VOGIUHGFNAVMFG-RKDXNWHRSA-N	242.323	-0.931	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@H](C)O	1954257138	IOZGQELRGDEAPM-NTSWFWBYSA-N	224.351	-0.178	50	10	BBGE	
CCNC(=O)C1CN(S(=O)(=O)CCl)C1	1956530993	MTACCKILGJOVBR-UHFFFAOYSA-N	240.712	-0.420	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ccon1	1958699558	OIMISEDEQICPFQ-SSDOTTSWSA-N	212.253	-0.125	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(N(C)C)C1	1958749366	IYVZTRALJFGLQW-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(=N)NO)C1	1960135715	UXFCANLDYMQGTJ-ZCFIWIBFSA-N	215.257	-0.549	50	10	BBGE	
CO[C@@H](CCCl)CNCCn1cnnn1	1960994488	USGJAJDUIKAHMQ-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]2C[C@H]21	1961510017	XMQVHSPKRUNQAE-IWSPIJDZSA-N	213.281	-0.382	50	10	BBGE	
Cc1cc(N2CC[C@@H]2C)ncc1B(O)O	1961718425	OOKIAOKYQBBEGM-QMMMGPOBSA-N	206.054	-0.332	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cccn2)n1	1961724693	UIQKYIYBDUEIHI-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961927297	UBZKPKFSVCHIIT-XDQCBXAXSA-N	233.695	-0.044	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1975355232	JBBMJNYDRRIZDZ-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1976989133	IANZOBGMSNXFRQ-DSYKOEDSSA-N	229.041	-0.925	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1979479694	JENCGBRARXGJTR-XXFAHNHDSA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1cnc(OC2CC(CF)C2)nc1	1982814650	OIVVKHLVHPCEJO-UHFFFAOYSA-N	226.016	-0.717	50	10	BBGE	
CN(C)C1CC(OC[C@H]2C[C@@H]2C(=O)NN)C1	1986221509	PKNHZBMOFUCBGU-WOOKNIGNSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)CC1(C)C	1986377533	CSZLOUDJVIUEQL-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C1CC1	1987391783	QFQJKYBCFGZKPY-UTLUCORTSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](CO)C12CC2	1988759668	BCDBMMUMCBGQHK-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CCN1CCN(C(=O)C=CC(=O)Cl)CC1=O	1991651858	WKDFZLADTIOPAC-UHFFFAOYSA-N	244.678	-0.001	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)C[C@@H]1C#N	1991655579	XOKKYJZYKDEKPY-QMMMGPOBSA-N	241.678	-0.026	50	10	BBGE	
Cn1nncc1CCNC(=O)/C=C/C(=O)Cl	1991711947	AUYXMLOYVOKKSE-NSCUHMNNSA-N	242.666	-0.205	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(CCC)C1)B(O)O	1992160283	VLJUFXINMRBBKH-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](C(=O)O)OCC1(C)C	1997649333	ZQNWPKVYJZCGRC-SSDOTTSWSA-N	245.279	-0.263	50	10	BBGE	
C[C@H](CN1CCC([C@H](F)CO)CC1)C(=O)NN	1999599577	UKHNNJVFDPUOJD-PSASIEDQSA-N	247.314	-0.345	50	10	BBGE	
COCC[C@@H](COC)N(C)[C@@H](C)CC(=O)NN	2001426669	LLRHRKUQSULUIX-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)OCC1(C)C)C(=O)NN	2002291063	RMWCTIBBELBULU-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1c1ncon1	2004031187	JEADWSWWWIFWFZ-ZCFIWIBFSA-N	239.235	-0.887	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCn2cccc2C1	2004180361	ATGMSSNHXRTJMO-JTQLQIEISA-N	238.291	-0.691	50	10	BBGE	
CCn1ncc(CN(C)CCCC(=O)NN)n1	2004803545	AWYPRRMPSYZYGE-UHFFFAOYSA-N	240.311	-0.500	50	10	BBGE	
CCN(C[C@@H](C)OC)c1ccncc1B(O)O	2004925988	YBJPSHOCIZLMJJ-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
C[C@H]1COCCN1c1ncc(B(O)O)cc1F	2005014372	KJKNUHFAONNOPI-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
C[C@H]1C[C@H]1N(C)Cc1c(C(=O)NN)cnn1C	2005105255	BAWCMAULRAALSJ-IONNQARKSA-N	237.307	-0.136	50	10	BBGE	
COC[C@@]1(C)CCN1c1ccc(B(O)O)cn1	2007186888	XDUYYUMCVVUARA-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@]1(O)CCOC1	2013283468	BHWWVOLWHCIBGM-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3COC[C@H]32)c1	2013468919	RBLLRPBVDNKDHV-WCBMZHEXSA-N	237.259	-0.286	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@]12CCC[C@@H]1C2	2016415918	CPHGMAOYFAKSMB-BXKDBHETSA-N	233.076	-0.282	50	10	BBGE	
Cc1ccc(N(C)CCOCC(=O)NN)cn1	2019983902	CXEPZYHPJFMKSI-UHFFFAOYSA-N	238.291	-0.167	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12CCC[C@H]1OCC2	2020061520	IAVYWTUOSKSFHO-KOLCDFICSA-N	239.080	-0.370	50	10	BBGE	
C=C(CN1CC[C@@H](c2nccn2C)C1)B(O)O	2021159310	QRTSRUBRFGOMMD-SNVBAGLBSA-N	235.096	-0.222	50	10	BBGE	
C=C(CN1CCC12CC(CN(C)C)C2)B(O)O	2021159733	YHXCGXNQJVKNFU-UHFFFAOYSA-N	238.140	-0.029	50	10	BBGE	
COCC(=O)Nc1cc(C)c(B(O)O)cc1C	2024375889	RJOAHVXQAAPBMD-UHFFFAOYSA-N	237.064	-0.432	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C(C)(C)N)C1	2024900565	ZAWAYTBMDPPUOE-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@H](C1)C2	2026029161	IRKQKONFGSQLMX-PSVAKVPMSA-N	241.291	-0.845	50	10	BBGE	
Cc1ncnc(N(C)C2[C@H]3CCC[C@H]23)c1B(O)O	2052555792	FKAFESYRXVTHNW-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
N#Cc1c(B(O)O)cc(Cl)cc1[N+](=O)[O-]	2060102106	BOMJBOOOJDASHM-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCOc1c(C#N)ccc(C)c1B(O)O	2060203517	FGZBUWVOEYNOEP-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1c(B(O)O)ccc(C#N)c1OC	2060261649	YLVNQKYSIOCQKK-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1nnc2ccc(CN(C)CC(=O)NN)cn12	2067599579	WYVQBDDARNOKCE-UHFFFAOYSA-N	248.290	-0.541	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3COCC[C@@H]32)n1	2073043211	MNMJWUMPCAXXCU-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cccc(B(O)O)c1	2079011925	LMDIFQKBTGDBQZ-JTQLQIEISA-N	245.087	-0.244	50	10	BBGE	
CN1CC[C@@H](COCc2cccc(B(O)O)c2)C1	2080316679	UJFYNFYSHKROMJ-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
Cc1nc(C)n(Cc2cscc2B(O)O)n1	2211135230	GRTDQJGFBFNREI-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CC(C)[C@@H](O)CNc1cc(B(O)O)ccn1	2212602259	AXWOEKFWZREJTQ-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
OB(O)c1ccnc(NCc2cncs2)c1	2212604479	XBRYDGQQDLZWCT-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C1CC1	2212604713	RQLJPJQFCCZFFK-JTQLQIEISA-N	216.049	-0.415	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCC[C@@H]1O	2212900824	RLBYKVVSTUNJSL-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)[C@H]1C	2214803778	ILIGDMLSDCGCOE-ZYUZMQFOSA-N	245.323	-0.918	50	10	BBGE	
CC[C@]1(O)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215773428	SNVDQDZNNLVOPD-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1CC2CC1C2	2216288352	BAQRXCSCKZDUCD-AMDVSUOASA-N	234.064	-0.419	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1c1ccc(B(O)O)cn1	2217173260	PRFOIKXDCIJMLW-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
CC(C)[C@@H](N)CCOc1ncccc1B(O)O	2217174553	VSDSBECXRLMZNN-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1Nc1ncc(B(O)O)cn1	2217181676	SWCSHIPKWBCLLB-HZGVNTEJSA-N	243.022	-0.388	50	10	BBGE	
COCC(C)(C)Nc1nccc(B(O)O)c1F	2217182901	DKIUBIHPIWSKDO-UHFFFAOYSA-N	242.059	-0.263	50	10	BBGE	
Cc1cnc(OC[C@@H](C)[C@H](C)N)cc1B(O)O	2217183896	OZCCAVONVYMOAA-BDAKNGLRSA-N	238.096	-0.568	50	10	BBGE	
OB(O)c1ccnc(N2CCNCCC23CC3)c1	2223633060	RJCIYELJGVUDEK-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1Nc1cc(B(O)O)ccn1	2223665916	GDIXXMJWWXSOHR-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2ccncc2)c1	2223671992	QZLRCVYREPJYCO-UHFFFAOYSA-N	243.075	-0.767	50	10	BBGE	
N[C@H]1CCCCC[C@H]1Nc1cc(B(O)O)ccn1	2223675958	UUKWXEIPRXMRFQ-WDEREUQCSA-N	249.123	-0.167	50	10	BBGE	
Cc1nscc1CC(=O)NCB(O)O	2241355455	KSUUROIUALBHRX-UHFFFAOYSA-N	214.055	-0.878	50	10	BBGE	
OB(O)c1cccnc1SC[C@H]1CCCN1	2242795604	JJWWMVCQBRILEF-MRVPVSSYSA-N	238.121	-0.395	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC2(CC2)C1	2243348862	BAYQVZBLVYJDRQ-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
Nc1ccc(NC(=O)C#CB(O)O)c(Cl)c1	2243349222	ICJKPKVODIVOCV-UHFFFAOYSA-N	238.439	-0.124	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)C1(B(O)O)CC1	2243364347	VQIZFPPSXXPCSA-SFYZADRCSA-N	227.069	-0.587	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243392442	TZVIVLWWNANNTO-UYXSQOIJSA-N	226.085	-0.942	50	10	BBGE	
CC[C@@H](C)[C@H](CNC(=O)C#CB(O)O)OC	2243401508	SFGDSZALUWRMFK-BDAKNGLRSA-N	227.069	-0.821	50	10	BBGE	
CC(C)NCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243403765	CEGARUKXWKPIQZ-DTORHVGOSA-N	228.101	-0.646	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ccoc1B(O)O	2243407123	LVBQLUFKZGBQPF-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
O=C(NC1CC(CO)C1)C1(B(O)O)CCC1	2243409291	FOZKHUZLUDLGBP-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
C#CC[C@H](C)CNS(=O)(=O)CC(=C)B(O)O	2243412144	HLXFLNCDXHHCMI-QMMMGPOBSA-N	245.109	-0.867	50	10	BBGE	
N[C@H]1CC[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913020	KSLDFHJXCNKJLI-YUMQZZPRSA-N	241.487	-0.684	50	10	BBGE	
O=C(Nc1ncco1)c1occc1B(O)O	2245941511	XJENEMVLNUOWPF-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2247742509	PSMYQALNIVQSHB-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1cc(B(O)O)c[nH]1	2247747904	UXHPWAWEPJADJN-CNUIFLNQSA-N	234.064	-0.777	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(B(O)O)cc1F	2247756988	IMYGYTDDOXTQNW-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
CNC1(C)CCN(C(=O)C2(B(O)O)CC2)CC1	2247757624	QWLLPWKSIAEFGX-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
O=C(NC[C@@]1(F)CCCNC1)C1(B(O)O)CC1	2247764787	WYLFVXDRVSXOCW-SECBINFHSA-N	244.075	-0.799	50	10	BBGE	
C[C@](CO)(NC(=O)C1CC(B(O)O)C1)C1CC1	2247803558	BTKRSDUAVAGHSF-LKXRVVKTSA-N	241.096	-0.483	50	10	BBGE	
CCN(CC1(O)CCC1)C(=O)[C@H]1C[C@H]1B(O)O	2247808098	KCKYPBKBBYUYJZ-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC(C(F)F)C1	2247847801	BUFGPWXLEGKLKK-UHFFFAOYSA-N	244.006	-0.968	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ccc(B(O)O)o2)C1	2247848955	SOFBTCHFBFIYRI-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
O=C(C#CB(O)O)NCC1([C@@H]2CCCO2)CC1	2247850617	QPZUWEPXDPUZIN-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC(C)=CCCNC(=O)c1c[nH]nc1B(O)O	2247858658	GSRVTADFTMASLB-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
C#CC[C@H]1COCCN1C(=O)C1(B(O)O)CC1	2247871977	KJZLYQOUWUMJRF-VIFPVBQESA-N	237.064	-0.756	50	10	BBGE	
CN(Cc1cnn(C)c1)C(=O)C1(B(O)O)CC1	2247877781	DDUKUHFVQXHMDW-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
Cc1n[nH]cc1CN(C)C(=O)C1(B(O)O)CC1	2248390430	DEABCSVPVOGLSU-UHFFFAOYSA-N	237.068	-0.316	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574822	CQZVBTKMSLCNLD-WCTZXXKLSA-N	241.052	-0.781	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CNC(=O)C1(B(O)O)CC1	2248715215	JPBWWXPPDHONSB-WCBMZHEXSA-N	241.096	-0.218	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1C=CCOC1	2249276537	WZAJXLXUKKQCSC-JTQLQIEISA-N	235.048	-0.596	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2249415959	LBHVZOGDGRISEK-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(F)(F)C[C@H]1CO	2250255137	UCIHYZBMCDOANS-CSMHCCOUSA-N	249.261	-0.686	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3CC2(C)C3)n1	2254578858	NLVFFZZBOWHARI-UHFFFAOYSA-N	248.091	-0.241	50	10	BBGE	
C=CCCNC(=O)c1cc(OC)ccc1B(O)O	2255503109	JWQRYLVCJMWPDD-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(F)c(B(O)O)c1	2255514632	LIKKEIGFBISYBJ-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)c1ccncc1	2255679306	GJIXYGCHWUBQLS-UHFFFAOYSA-N	246.075	-0.509	50	10	BBGE	
CC1=CCCN(C(=O)c2cc(B(O)O)cn2C)C1	2255717459	KKSXJVFVZGLFLT-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(n2ccnc2)C1	2255775152	VPLCIWAGJVBGOS-KYZUINATSA-N	249.079	-0.481	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2298375597	RSRRCLFAGPYNAF-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1CCNCC12CC2)[C@H]1C[C@H]1B(O)O	2298376983	AEZVJRSQWNTWNF-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC([C@@H](F)CO)C1	2302054422	DRDPQECWWWZFET-SCZZXKLOSA-N	247.314	-0.203	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H]1CNC(=O)CN1	2302403823	QBOBMUSCACEKMX-VIFPVBQESA-N	242.323	-0.772	50	10	BBGE	
CC[C@](C)(CN1CCNC(=O)[C@H]1C)C(=O)NN	2303423517	GEHIAGMZXSTMBO-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1C[C@@H]1N	2317307250	ZHRKOHNVBSFXSX-JWYUURKGSA-N	249.075	-0.707	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCS(C)(=O)=O	37739830	XRZVZQJPGRRQSX-RXMQYKEDSA-N	213.686	-0.226	50	10	BBGE	
COCCS(=O)(=O)N1CCC[C@H]1N=C=O	42809594	SNBBYWGXEZJFEM-QMMMGPOBSA-N	234.277	-0.280	50	10	BBGE	
[C-]#[N+][C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO	55817331	KEPYLRFTUFPYBU-BHNWBGBOSA-N	237.215	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)n1cnc([N+](=O)[O-])c1	82471294	WOEKGWFZAIAKNQ-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
NNC(=O)c1coc(Cn2ccc(C(N)=O)n2)c1	85196235	IPHWPKXAXOCILL-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
CN(CC(=O)NC1CC1)CC(C)(C)C(=O)NN	93728032	AOSZLSZRLKMFED-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)C(F)(F)F	142463044	IJQOSJVFUGERBA-UHFFFAOYSA-N	213.159	-0.567	50	10	BBGE	
COc1ccc(=O)n(C[C@H](O)CCl)n1	157648051	XNEIBCGGFMKTMH-ZCFIWIBFSA-N	218.640	-0.148	50	10	BBGE	
CNC(=O)CC(=O)NNc1cccc(OC)n1	186368086	GYHNNQACMCWSPQ-UHFFFAOYSA-N	238.247	-0.331	50	10	BBGE	
O=c1ccccn1Cc1ccc(B(O)O)cc1F	199001044	YFDWAQDJWCVMAD-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
O=c1ccccn1Cc1ccc(F)c(B(O)O)c1	199002949	ZXJIZKXZRCXYJM-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
O=c1cccnn1Cc1cc(F)cc(B(O)O)c1	211659425	XYIWDUPGJWNIDH-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1CCNCC1	212039843	OTMGJGPJIQRGIO-SNVBAGLBSA-N	228.340	-0.171	50	10	BBGE	
O=C(CCl)NC[C@@H](O)Cn1ccccc1=O	218404067	SKCMAYXCRDMQCG-MRVPVSSYSA-N	244.678	-0.436	50	10	BBGE	
CC(C)(CC(N)=O)NC(=O)NC(=O)CCl	227083244	BVGMEQJUNNAHNU-UHFFFAOYSA-N	235.671	-0.295	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1O	229489189	GZUUZTVHLYFEGA-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
Cn1cnc2cc([C@H](N)C(=O)NN)ccc21	259065211	XIZPBVGLBCTFIO-VIFPVBQESA-N	219.248	-0.437	50	10	BBGE	
CNNC(=O)[C@@H](N)CC1CCOCC1	259137138	SVRUIHOWAVRDRK-QMMMGPOBSA-N	201.270	-0.619	50	10	BBGE	
CNC(=O)CSC[C@@H]1CC[C@H](C(=O)NN)O1	300775919	DUTBLHYLMALWEK-NKWVEPMBSA-N	247.320	-0.997	50	10	BBGE	
CO[C@]1(C)CCN([C@H](C)C(=O)NN)C1	306370295	GIQSBLJYCRVVEM-VXNVDRBHSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](NC(=O)[C@@H](C)Cl)c1nc(=O)[nH][nH]1	306977310	ASOQEVDGRJARRR-DMTCNVIQSA-N	218.644	-0.098	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CCC(=O)NN	307602190	TUSQBBKIQPUQEW-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CO[C@H]1CCC[C@@H]1Oc1cncc(B(O)O)c1	310534187	OVFLSKZSDKCZMD-QWRGUYRKSA-N	237.064	-0.292	50	10	BBGE	
CC(C)[C@H]1OC[C@H](O)C1=NNC(N)=O	383978090	UHZIUUZNHUYJNN-CAHLUQPWSA-N	201.226	-0.574	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCCCO	384822779	OQDDBJJFKYMEKX-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@H](C)C(=O)NN	385731509	AOMZKGYWLVAUQQ-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
Cc1ccc(OCCn2cncn2)c(B(O)O)c1	386284861	BNTBTQBSLPPEDI-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
ON=Cc1ccn(-c2ccc(B(O)O)cn2)c1	393853488	WXFDWTKMYNXPKH-UHFFFAOYSA-N	231.020	-0.640	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](O)CCl)C[C@H]1O	395927961	GZJMKJOUOXCIOO-XLPZGREQSA-N	209.673	-0.722	50	10	BBGE	
Nc1cc2cc(B(O)O)cc(C(=O)O)c2s1	396235780	BSBDRNVOMAXCPV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1cc(B(O)O)c(O)c2ccsc12	396379945	JCNZHLCLJZHIBS-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@H](C)CC(=O)NN)C1	401559469	XKCZDNPQASKEJS-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N(CCCO)C1CC1	404258861	UKMPKTKPRABALS-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CN1CC[C@H](C(=O)Nc2ccccc2B(O)O)C1	404944239	AZNRVMTXICQRPS-VIFPVBQESA-N	248.091	-0.743	50	10	BBGE	
O=C(NCc1sccc1B(O)O)NC1CC1	405151437	RSEOARYOHYSVIA-UHFFFAOYSA-N	240.093	-0.611	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)NNC(N)=S	606277600	NYGZYVBSTISUPB-UHNVWZDZSA-N	203.267	-0.867	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)[C@@H](C)C(=O)NN	688148148	DHPXYTUUCKIWQR-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(C(=O)O)CC2)CC1	692167087	JUUKKERNZSGUEB-UHFFFAOYSA-N	238.243	-0.272	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)C[C@H](C)O	692170287	MNVWKIITDBLDCN-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1ccnc1[N+](=O)[O-]	702728828	GMSSXHCKPNLFKX-ZCFIWIBFSA-N	227.224	-0.022	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CC(n2cncn2)C1	707610119	XYSZERNZPRBOBX-ZETCQYMHSA-N	230.655	-0.173	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCCNCC1	710015781	HJELVGMPQZOURE-SNVBAGLBSA-N	228.340	-0.314	50	10	BBGE	
CC[C@]1(O)CCCN([C@@H](COC)C(=O)NN)C1	710210536	RCDHNUBSQSGMAG-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710474874	FHKZWWWQHGLMPP-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
CCN(C)C(=O)N1Cc2cccc(B(O)O)c2C1	713284760	MXOYIOPUOGLPJA-UHFFFAOYSA-N	248.091	-0.246	50	10	BBGE	
CCNC(=O)N1CCN(C[C@@H](O)CCl)CC1	721660498	DSBJSNVYEPJUHR-VIFPVBQESA-N	249.742	-0.067	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1ccoc1)n1cncn1	747217729	XDWIBIYBLSMJQS-ZETCQYMHSA-N	249.230	-0.107	50	10	BBGE	
CC(C)(O)CCC(=O)NNC(=O)[C@H]1CCCO1	817215005	XJECSYKUXKSSTE-MRVPVSSYSA-N	244.291	-0.136	50	10	BBGE	
OB(O)c1ccccc1CNCC1CSC1	895423248	CPCXNIMFRUPDAZ-UHFFFAOYSA-N	237.133	-0.181	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@]1(C)CCC(=O)NC1	910150051	LXFBDWAQOUZRKS-GZMMTYOYSA-N	243.307	-0.754	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)[C@@H](C)CO	911445617	ZOUIDDGWMXFXMO-JTQLQIEISA-N	229.324	-0.162	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1csc(CO)n1	1142535436	WKGHXKOZNOAHIK-UHFFFAOYSA-N	244.276	-0.449	50	10	BBGE	
C=CCCCNC(=O)NNC(=O)c1ncon1	1248410359	ZWYMNKNMEWYQGT-UHFFFAOYSA-N	239.235	-0.020	50	10	BBGE	
COC(=O)NNC(=O)CCn1cccn1	1608487351	UKNWYQZPGJQZPU-UHFFFAOYSA-N	212.209	-0.340	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NNc1ccn(C)n1	1611267783	NCDBUPZBICJURC-LURJTMIESA-N	225.252	-0.612	50	10	BBGE	
Cc1ccn2ncc(C(=O)NNC(=O)CO)c2c1	1648686514	SNEFKOWNGJQHEQ-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
OC1CNC(=NC[C@@H]2C[C@H]2Br)NC1	1877372285	HBLSWPQKSBOVNK-CAHLUQPWSA-N	248.124	-0.321	50	10	BBGE	
CO[C@@H]1COC[C@H]1NC(=O)CBr	1880684929	UMBTZCPYRNBEQR-PHDIDXHHSA-N	238.081	-0.089	50	10	BBGE	
N=c1nc([C@H]2C[C@@H]2Br)[nH]c(=N)[nH]1	1881372173	COBYPBQRDJMUHJ-HRFVKAFMSA-N	230.069	-0.052	50	10	BBGE	
CCOC(=O)[C@H]1CNCCN1C(=O)F	1887174280	YAIWWMFHFBXGAH-ZCFIWIBFSA-N	204.201	-0.087	50	10	BBGE	
O=S(=O)(CF)c1ccc(B(O)O)cc1	1888131575	MJCDZYQRMNEBDZ-UHFFFAOYSA-N	218.014	-0.933	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCSC1	1891994423	OGOSBEDETOCVOV-NTSWFWBYSA-N	201.056	-0.618	50	10	BBGE	
OC1CNC(=NCC2CC(Cl)C2)NC1	1893508413	BLRLKXRQNTWYKO-UHFFFAOYSA-N	217.700	-0.087	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1895659758	AMDDYZQLFTVWAZ-AXTSPUMRSA-N	227.308	-0.544	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC1(F)F	1899462217	UGHZCMGCGWXPFS-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
C[C@H](CN)C(=O)NN(C)S(=O)(=O)C1CCC1	1901348099	CBBUZLHKDDYEOU-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
CO[C@]1(C(F)F)C[C@H](C(=O)NCB(O)O)C1	1902687596	PXTHJDNWGMFAJC-AENQLZEMSA-N	237.011	-0.825	50	10	BBGE	
C[C@@H](Cn1cc(Cl)cnc1=O)C(=O)NN	1912222004	TVMOVTIRIWRMGU-YFKPBYRVSA-N	230.655	-0.477	50	10	BBGE	
N#CC1=CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1	1917048354	HRJALCZAMWPQQC-NXEZZACHSA-N	242.300	-0.700	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCCN)CC1	1917091359	BNYJFXISGXLQMV-UHFFFAOYSA-N	229.305	-0.179	50	10	BBGE	
CN(CC(CO)CO)C(=O)CBr	1930665523	PFJRONSHLAENOC-UHFFFAOYSA-N	240.097	-0.560	50	10	BBGE	
CC(C)(NS(=O)(=O)CCl)c1nn[nH]n1	1931221667	HFMYVSHWRIOZMK-UHFFFAOYSA-N	239.688	-0.450	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1F	1932374862	ZWQKMBSOTOMGKC-RYPBNFRJSA-N	215.272	-0.098	50	10	BBGE	
C[C@@H](CN1CC[C@@]1(C)CO)C(=O)NN	1932967360	MFZINYLXZIGDTR-CBAPKCEASA-N	201.270	-0.931	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1CO	1935929273	NWSTUMMDLGHIDD-BQBZGAKWSA-N	237.250	-0.828	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@@H]2CCC[C@@H]21	1937415312	LNGPIHDFTVNXKX-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	1937462055	ZJCRISKTTCVKAF-NQMVMOMDSA-N	227.308	-0.829	50	10	BBGE	
CC[C@]1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1937984064	LSBXKITXOFRDNE-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(SC(C)C)C1	1939022652	SWWGEFYTJVJWAH-SECBINFHSA-N	247.364	-0.183	50	10	BBGE	
CN1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1(C)C	1941089608	WMGCASKWDNHKOP-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093099	DZVVNGQHHRJRLX-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
CN1CCC[C@H](N(C)CCOCC(=O)NN)C1	1941784955	YBTOJLPWNWQEMX-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CN1C[C@@H]2[C@@H](CC[C@H]2N2CC(=O)OC(=O)C2)C1	1944695569	RUVVXPBQSFZOBX-IVZWLZJFSA-N	238.287	-0.288	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)CCN(C)C	1949776448	HYEGIQMNTWJTED-JTQLQIEISA-N	246.355	-0.999	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC2(CCC2)CO1	1957631092	RVDBQOXGEZJEOW-LURJTMIESA-N	229.305	-0.190	50	10	BBGE	
Cc1ocnc1CN(C)CCC(=O)NN	1958688918	AMAZTAIZWUUYRI-UHFFFAOYSA-N	212.253	-0.205	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cocn1	1958692357	KSOCZKKCKIEEGN-QMMMGPOBSA-N	212.253	-0.125	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(F)C2)n1	1961705768	IMOWHYPIOLDPEY-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CCC(=O)NN	1975084752	MVCNBBXPFFRVTF-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@](F)(CO)C1	1975526502	FVTWDXGNEDGNBN-JTQLQIEISA-N	233.287	-0.447	50	10	BBGE	
CP(C)(=O)[C@H]1CCCCN1C(=O)C(=O)NN	1978698644	YIRSMNVKTMAMJO-ZETCQYMHSA-N	247.235	-0.062	50	10	BBGE	
CN=c1nc(C)c(C(=O)NN(C)C)c(C)[nH]1	1980603373	QYQXFTMCMGMNHT-UHFFFAOYSA-N	223.280	-0.237	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CC[C@H]3C2)nc1	1981412704	XKIYSJHVAFOQKV-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCC[C@@H]1CO	1981555458	UHJPTUKOWGFZGQ-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@H](COC)C1	1982500659	SODRELFMZWBZKJ-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H](CO)C1	1984129891	KVBLPBXLGXJVNE-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
C[C@H](C1CCOCC1)N(C)C(=O)C(=O)NN	1985813539	DKULQYOPPZVYMU-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H]1CCN1C	1987093875	WRZZXOMYOZFTHR-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CN(CC1CC1)C1COC1)C(=O)NN	1990128405	ZECIFBYWPQFKBI-QMMMGPOBSA-N	227.308	-0.277	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2CC[C@H]2C1	1990745369	IGCKULPDETYDIX-UWVGGRQHSA-N	225.292	-0.114	50	10	BBGE	
N[C@H](Cc1cn(C[C@H]2C[C@H]2Cl)nn1)C(=O)O	1991437430	GBPBUCIZWNYVRL-LPBLVHEISA-N	244.682	-0.140	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1991679971	NBMVAVCMPXFYJB-JKUQZMGJSA-N	249.650	-0.254	50	10	BBGE	
C=C(CN(C)CCS(=O)(=O)C(C)C)B(O)O	1992146902	XLEYMHRIPYBREP-UHFFFAOYSA-N	249.141	-0.690	50	10	BBGE	
C[C@@H](C(=O)NN)N(Cc1cnn(C)c1)C1CC1	2003796209	FPLDUMPWQNXELE-QMMMGPOBSA-N	237.307	-0.237	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC12COC2	2004485846	DMNSIJNFMLFJSC-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@]3(C)C2)ccc1B(O)O	2005015259	YDYBBIDTAZJNPR-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1CCCC1	2007066136	YVXUEUXROAIHSO-UHFFFAOYSA-N	232.052	-0.379	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CO[C@]2(CCOC2)C1	2009144838	SRRFJHVXJSBDBW-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](F)(COC)C1	2009643452	ZNBAFCMFUIFNMJ-PSASIEDQSA-N	249.286	-0.948	50	10	BBGE	
C[C@@H](CN1CCC2(CC[C@H]2O)CC1)C(=O)NN	2014134232	PHDMJCRDMIOTIS-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H](OC)C(C)C	2014868582	XZYQAXLNGAAWTK-UWVGGRQHSA-N	247.339	-0.406	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CO)C12CC2	2016080886	QGXCBBAIPLZQGU-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C[C@H]1C[C@H]1C(=O)NN	2020204762	ANURZUFWMHIUJA-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H]1CC[C@@H](C(=O)NCC#CB(O)O)C1	2021112919	DNQGMHWTHIYPJM-VHSXEESVSA-N	239.080	-0.819	50	10	BBGE	
C=C(CN(C)[C@@H]1C[C@H]2CCCN(C2)C1)B(O)O	2021158548	FDMBSADXOJIWFU-VXGBXAGGSA-N	238.140	-0.029	50	10	BBGE	
C=C(CN1CCO[C@]2(CCCOC2)C1)B(O)O	2021162097	BNMRLZQQSNSHOY-LLVKDONJSA-N	241.096	-0.564	50	10	BBGE	
O=C(Cc1cccc(O)c1)NCC#CB(O)O	2021164356	GBCSYGYSBZLBAN-UHFFFAOYSA-N	233.032	-0.934	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1cccc(B(O)O)c1	2022196546	NZAQEVUWOKQJJO-WCBMZHEXSA-N	237.039	-0.546	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CC[C@H](O)C[C@@H]2C1	2024502826	LLFYWDKCNHLXSY-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCN1CCCc2nnc(O)cc21	2025569763	WFXOSKBLLYHZFL-UHFFFAOYSA-N	237.263	-0.685	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1ncncc1B(O)O	2025750175	ASCISHQCWRWGAR-OIBJUYFYSA-N	239.059	-0.659	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccccc1B(O)O	2043286873	MNAMOXZZYZGHHI-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
CN1CCN(Cc2ccc(B(O)O)cc2)[C@@H]2C[C@H]21	2049379331	ITVRFMIQGXYGTM-CHWSQXEVSA-N	246.119	-0.745	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)c1ncc(B(O)O)c(C)n1	2052552389	RVYCMBCEUXKTKU-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
Cc1cnc(N2CCCN(C)CC2)c(B(O)O)c1	2052624317	FCLFTOCIAPRPMF-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
O=C(CC1COC1)NCc1ccc(B(O)O)cc1	2056492965	CLTXGTFUWUJFCB-UHFFFAOYSA-N	249.075	-0.981	50	10	BBGE	
COc1cc(C#N)cc(B(O)O)c1Cl	2060103161	QXDMMHCLTKRGHJ-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(B(O)O)c1C#N	2060282935	WIMLHXMZTXSUHT-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
NNC(=O)c1cn([C@@H]2CCCC[C@H]2O)nn1	2060365133	QERVCNPEIOHAKS-HTQZYQBOSA-N	225.252	-0.642	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1OCc2ccccc21	2063804342	PTXKVWVEZNDZCC-SNVBAGLBSA-N	249.270	-0.246	50	10	BBGE	
NNC(=O)CS[C@@H]1CNC2(CCC2)C1	2210076663	QXTOJBHHVLIFPS-ZETCQYMHSA-N	215.322	-0.006	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccccc1=O	2211839690	XYLFUAHVVBYJQH-IUCAKERBSA-N	221.260	-0.136	50	10	BBGE	
CCNC[C@H](C)Oc1ncccc1B(O)O	2212601740	SEHXHKJMJVFSLO-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C=CCSCCN=c1ccc(B(O)O)c[nH]1	2212612767	OGSPGXQZOHEVNO-UHFFFAOYSA-N	238.121	-0.486	50	10	BBGE	
CC[C@H](CCN)Oc1cc(B(O)O)ccn1	2212613468	NQTPKMFWAZAIMZ-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2CCCCC(=O)NN	2213354153	IZMXBXPDYXFNCE-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H]2CC[C@@H]2C(=O)NN)n1	2215775111	ZKZNDXANAJFPAR-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
COCCOCCOC[C@H]1CC[C@@H]1C(=O)NN	2215775975	JXOAQQZQFPETQG-ZJUUUORDSA-N	246.307	-0.318	50	10	BBGE	
C#CC[C@@H](Nc1ncc(B(O)O)cn1)C1CC1	2217175521	JWKRAGPRMLUGLZ-SNVBAGLBSA-N	231.064	-0.630	50	10	BBGE	
Cc1ncc(CNc2ncccc2B(O)O)[nH]1	2217175827	NUTMPBZCMOYUHL-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1cccnc1NCCc1cnc[nH]1	2217179196	HUQISQFYSDZVJQ-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
CC[C@H](CO)N(C)c1cc(B(O)O)c(C)cn1	2217179829	OVWPORXXJMYJMJ-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
CCOCCN(C)c1cc(B(O)O)c(C)cn1	2217181296	ZWEDMXHGJVAPAV-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@@]1(O)CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217181913	WZRNLOZEAJMULY-GXSJLCMTSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCO[C@H]32)c1F	2217182634	FSMUAPJETXORIZ-LQQYEPNUSA-N	238.027	-0.900	50	10	BBGE	
CNCC(C)(C)Oc1nccc(B(O)O)c1F	2217192016	GRKKGYZSOWEAPA-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
Cc1ccc(Nc2ncc(B(O)O)cn2)cn1	2217198697	FEYHAEHZOGXNIB-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
CN[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220067897	WGKUDOKYBHNDAR-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
CN(Cc1cncnc1)C[C@H]1CC[C@H]1C(=O)NN	2221565232	BRHARBJRTLKXSP-GHMZBOCLSA-N	249.318	-0.076	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@H](C)CN1C	2222181953	SLNGJBHFUZRUPX-VHSXEESVSA-N	249.123	-0.710	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2223627675	MVLSOZQYPRQYBE-RPQMDJCFSA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CC[C@@H](CO2)C3)c1	2223635231	UOVLUWASEXWRKO-SKDRFNHKSA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H](CN)C2)cc1B(O)O	2223645395	WJDLINUUGGHYTN-NXEZZACHSA-N	249.123	-0.391	50	10	BBGE	
C[C@@H]1CCCN(c2ncccc2B(O)O)[C@@H]1CN	2223665980	JLKZFLIQBOBBIX-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
C#CCN(Cc1ccccc1)C(=O)C#CB(O)O	2241468501	PMXVNYVGTSPJKD-UHFFFAOYSA-N	241.055	-0.336	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCS1	2241468714	SYAREWIHZNZDBA-SSDOTTSWSA-N	213.067	-0.986	50	10	BBGE	
O=C(OCCl)N1CC[C@@H]1[C@@H](O)CO	2241824585	KWPFMNFHFFUWJU-RITPCOANSA-N	209.629	-0.253	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccoc1B(O)O	2243350108	VUDJGZTWMZUTQC-YFKPBYRVSA-N	230.963	-0.903	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCSCC1	2243350338	ZODHWOOTAYTHCQ-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccsc1B(O)O	2243359092	OQPSKXULXNDJSG-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)sn1	2243378671	XLNZUBZENJETKI-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
CC(C)(O)CCNC(=O)C1CC(B(O)O)C1	2243396845	RNTQUBHMTHCSQH-UHFFFAOYSA-N	229.085	-0.483	50	10	BBGE	
Cc1cc(=NC(=O)C2(B(O)O)CC2)[nH]n1C	2243411413	SOVMDQDMAVUGBP-UHFFFAOYSA-N	223.041	-0.904	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@H]1C[C@@H]1C)B(O)O	2243412359	LJGDKFFAWZWFDJ-ZQARSLAVSA-N	247.125	-0.482	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)CC(C)C)B(O)O	2243412826	ULPZQZUAKSYKAR-SECBINFHSA-N	249.141	-0.091	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1sncc1B(O)O	2243414311	YDEBSJBYJJTSHB-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
O=C(NCC1(CCO)CC1)[C@H]1C[C@H]1B(O)O	2243415216	QJZVNWMZOKNAGI-JGVFFNPUSA-N	227.069	-0.872	50	10	BBGE	
O=C(c1cccc(Cl)c1B(O)O)N1CCC1	2243509744	POJZBZBZLHXXHE-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
CC#CC(=O)Nc1cc(C)ccc1B(O)O	2243685089	MXPLZHXHEFCCSP-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2244191991	JCGAOASCBRWXBP-BDAKNGLRSA-N	227.069	-0.513	50	10	BBGE	
C=CCCCNC(=O)c1cocc1B(O)O	2244216746	LRJQXUKIUYHAHA-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C=CCN(OC)c1nccc(B(O)O)c1F	2244265596	QDODHYDTPRHUCC-UHFFFAOYSA-N	226.016	-0.546	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H](F)C1CCC1	2244546420	LDSBOYKUQJTLOB-SECBINFHSA-N	227.044	-0.354	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]23C[C@](N)(CO2)C3)CC1	2247247918	ZVTQYERDZMVIDP-HAQNSBGRSA-N	233.271	-0.071	50	10	BBGE	
CN(Cc1cccc(N)c1)C(=O)C#CB(O)O	2247742988	XGHHOOAFSIYTOZ-UHFFFAOYSA-N	232.048	-0.757	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1N(C)C(=O)C#CB(O)O	2247747534	OYIGDQRIUNAYJW-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(C(=O)C2(B(O)O)CC2)C1	2247756551	MXDHUUVHZCWNML-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)cc1OC	2247759027	NLWMCXQOWRQRJR-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
CN(c1ccnn1C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792469	SSGNDTYAGBCYES-OCAPTIKFSA-N	237.068	-0.364	50	10	BBGE	
O=C(NC[C@]1(F)C[C@@H](CO)C1)[C@H]1C[C@H]1B(O)O	2247793732	ZNXBQBQFQZIQKR-QHOPCYEYSA-N	245.059	-0.924	50	10	BBGE	
CC(C)(CCCO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247797178	GVRIYVVDKWEYNS-RKDXNWHRSA-N	243.112	-0.236	50	10	BBGE	
O=C(NC[C@@H]1CCCNC1)C1CC(B(O)O)C1	2247797933	OOIUYENHRPTWLT-XNWIYYODSA-N	240.112	-0.645	50	10	BBGE	
CC(C)OC(=O)CNC(=O)C1CC(B(O)O)C1	2247798712	WJZKSILXCNWLCL-UHFFFAOYSA-N	243.068	-0.693	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2247798866	XWBBHIABUKAEEM-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCC[C@@H](O)C1CC1)C1CC(B(O)O)C1	2247800208	MLIRIQJCSNDXNL-UDNWOFFPSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2247848016	FXJYKNZJNDYPKR-CPCISQLKSA-N	234.064	-0.633	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247852218	QLBBORGFIHGSFO-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247854544	DZHDBTPRNKARLK-XHHQTKHESA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@H]2O	2247854562	FEOMOESCGJGZGB-VVULQXIFSA-N	239.080	-0.779	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COC[C@@H]2C1	2247859823	PXOSBQPONXQVOB-QEYWKRMJSA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccoc1B(O)O	2247866055	FWBHJUMZIOAMRQ-IUCAKERBSA-N	235.048	-0.512	50	10	BBGE	
NC[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247887406	NRIIVWIYYQUVGW-XFWSIPNHSA-N	240.112	-0.517	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCOC1	2247895152	PFTVMWUZZVZMRG-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@H]1N	2247910800	RJIWXNFQAOCEEV-AUXWQGHOSA-N	240.112	-0.565	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@]23C[C@H]3N)CC1	2248161360	RAMDUNKFZCFVRL-SBMIAAHKSA-N	235.287	-0.399	50	10	BBGE	
C=C=CCC(=O)Nc1ncc(B(O)O)cc1F	2248415747	GFLNMKMOENDGAP-UHFFFAOYSA-N	236.011	-0.430	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2248575034	XWXCTYYYBVDDFB-XAMCCFCMSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C(=O)O	2248576880	JHOKJJKIJVJVLA-NGJRWZKOSA-N	241.052	-0.829	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1C=CCOC1	2249279705	RAGNQKKRGWYBJS-MRVPVSSYSA-N	239.011	-0.766	50	10	BBGE	
CC12CC(C1)N(C(=O)c1cc(B(O)O)co1)C2	2249409480	JTGKNSWBSYEYBJ-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)NCCC#CB(O)O	2250006719	OVGMHSQZXYSJFO-KOLCDFICSA-N	239.080	-0.819	50	10	BBGE	
N#Cc1cnn(-c2cc(B(O)O)c(Cl)cn2)c1	2252657145	ASKXMDSRJNCTEA-UHFFFAOYSA-N	248.438	-0.528	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2255481389	HAGBMLLIAPHHCO-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1occc1B(O)O)C2	2255481898	NEISRFBIOIDLFU-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCOCC1	2255509443	LWFACEAKNVEWHF-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N(CC1CC1)C1CC1	2255571666	QSFWNLHFJYMCPJ-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3CC[C@H]32)oc1B(O)O	2255682040	AULPCRXCORCKGG-DTWKUNHWSA-N	249.075	-0.108	50	10	BBGE	
CC=CCCNC(=O)c1nccc(C)c1B(O)O	2255687712	LFMHCDHUDKRQSR-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ncncc2B(O)O)[C@@H]1C	2255691253	CJFVTHQHZHYOPZ-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1coc(B(O)O)c1	2255724362	NBCDTPALAAFESA-ZJUUUORDSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N(C)CCC#N	2255734825	IESCBKSBOULUPM-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)ccc2C)CC1	2258950342	SQRJQOVFPGZUMA-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
CN(CC[C@@H]1CCO1)Cc1ccc(B(O)O)cc1	2263977723	WTFGKYJKMLXPLT-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1F	2298165728	UAMZIQFTAMQKEF-JLIMGVALSA-N	245.298	-0.329	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298369317	QJGXRJIIWUYDSM-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@H]1CCCCNC1)[C@@H]1C[C@H]1B(O)O	2298371919	ZKEFFLSLUNOYIF-IVZWLZJFSA-N	240.112	-0.645	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCC[C@H]1C[C@H]1C(=O)NN	2300369154	KCCFDJNONIOPGS-HRDYMLBCSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCn1ncccc1=O	2300383390	LPPNFSXDJKWZSH-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302189457	ZAVXMIMBEYNSHY-LOLPMWEVSA-N	239.080	-0.515	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	2303424305	QFTDEKDOCHKWEG-QFOLPQNPSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c1F	2312612433	XLVHBOAWQDKSIB-GHCJXIJMSA-N	248.066	-0.255	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@@H](N)C1	2317150263	CQQTYOYPXRRZBP-LLVKDONJSA-N	245.091	-0.834	50	10	BBGE	
CC(C)CNNC(=O)C(=O)NNCC(C)C	2000115	HLTTYHBSKSXACX-UHFFFAOYSA-N	230.312	-0.460	50	10	BBGE	
CCOCCCNC[C@@H](C)C(=O)NN	58862389	KAGKZTJVVLUYEX-MRVPVSSYSA-N	203.286	-0.371	50	10	BBGE	
CC1(C)COCCN1CCCC(=O)NN	82470279	NNAAXDKQOVEXMM-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CSCC(=O)NNC(=O)[C@H]1CCOC1	89995998	QFIOWFUJJGHIAQ-LURJTMIESA-N	218.278	-0.467	50	10	BBGE	
Cc1cc2c(=O)n([C@@H](C)C(=O)NN)ccn2n1	130764713	IGMQRABWIDPIPV-ZETCQYMHSA-N	235.247	-0.645	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCO[C@@H]1C)C(=O)NN	134790616	DCANXVVLSFBJBD-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](NC(=O)[C@@H](C)Cl)C(=O)N1CCOCC1	159170488	FJTOUHOBHIDRHH-SFYZADRCSA-N	248.710	-0.023	50	10	BBGE	
CSC[C@H](C)N(C)C(=O)C(=O)NN	160144706	RIZTVEIKIOUXSZ-YFKPBYRVSA-N	205.283	-0.814	50	10	BBGE	
CSCC(=O)NNC(=O)c1cn[nH]c1C	171817268	GVQIHHPSDBTQQV-UHFFFAOYSA-N	228.277	-0.158	50	10	BBGE	
OB(O)c1cncc(N2CCCCC2)n1	198083100	LWBTYTWODWZWKV-UHFFFAOYSA-N	207.042	-0.853	50	10	BBGE	
CCc1nnc2c(C(=O)NN)cccn12	212652580	GDZVSZVSSRIYBU-UHFFFAOYSA-N	205.221	-0.105	50	10	BBGE	
CC(C)C[C@@H](NC(=O)CN(C)C)B(O)O	213636421	KLVFYKRJWCNHMD-MRVPVSSYSA-N	216.090	-0.909	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1[C@H](C)CCC(=O)NN	221308043	JOLWTBFNSHMHHX-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
COC[C@H](CO)NS(=O)(=O)CCCl	229357778	ZXQVRUSTNNLAPK-LURJTMIESA-N	231.701	-0.848	50	10	BBGE	
CCCCN(C)[C@@H](COC)C(=O)NN	232418931	RBCMJRRJCJHKBL-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(=O)NCSC[C@H]1NC(=O)OC1=O	238093354	LDJMEOCZBLAFOU-RXMQYKEDSA-N	218.234	-0.552	50	10	BBGE	
Cc1cc(-n2ccnc2)ccc1B(O)O	238538585	LICZRLRCQJFISO-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
CCOCCN(C)[C@@H](C)[C@H](C)C(=O)NN	250574828	XBBMZNZFWDFJNO-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
COc1ccc(OC)c([C@@H](N)C(=O)NN)c1	258972689	IIZVEKBXIWOOBY-SECBINFHSA-N	225.248	-0.307	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccncc2=O)nc1	306088128	HZJIGOHTWJVIMQ-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1CS2(=O)=O	306374101	OZKZAJGESGEJDN-NTSWFWBYSA-N	223.681	-0.377	50	10	BBGE	
C=C(C)CS(=O)(=O)NNC(=O)CC	308321809	ZBMQMTOQNHMZLD-UHFFFAOYSA-N	206.267	-0.077	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)N[C@@H]1CSC[C@@H]1C	309399856	HFNULUUMJRKORN-ACLDMZEESA-N	245.348	-0.117	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[S@](=O)CC1	321867227	KDTGTCOFQLJNRN-ABKXIKBNSA-N	247.364	-0.545	50	10	BBGE	
CS[C@@H]1CCN(CCC(=O)NN)C1	382940800	MRPPPHQTNUHEGB-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CCCCC(=O)NN	385000677	JLGIOPCCVKUESL-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
Nc1cc(C(=O)O)c2scc(B(O)O)c2c1	396253345	ZYSDMXCMEMYEMS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cccc2sc(C=O)c(B(O)O)c12	396257001	NVOINIRHTXMZJN-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSSCCN[C@@H](CN)C(=O)O	397796655	UHKHSZLDZGVXOM-YFKPBYRVSA-N	210.324	-0.001	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnns1	400045615	VERLHFFDJFYWCA-QMMMGPOBSA-N	243.336	-0.016	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)CCCC(=O)NN	688149529	XISMOLBFAFZKHG-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CCCSC1	689510685	LPGOIYQDLHWXMK-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]2COC[C@@H]21	690722513	YCMAUSDQKQLAFQ-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](O)CN(CC(C)(C)C(=O)NN)C1CC1	692095258	IROKRTOGFGBLII-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@@H](N)C1	695085758	DUNPBOKTGMCTNT-ZJUUUORDSA-N	228.340	-0.186	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](O)C1	695087621	PTMBJBSEVKCILT-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1c1nnc(CCCl)o1	698137435	QHCMSMMHUHWFAH-RNFRBKRXSA-N	247.682	-0.217	50	10	BBGE	
Cc1cn(Cc2ccc(C)c(B(O)O)c2)c(O)n1	699567813	GTTVBJJLOOGUCR-UHFFFAOYSA-N	246.075	-0.066	50	10	BBGE	
CO[C@@](C)(CO)CNC(=O)CBr	702479248	FTPNGPYTBFODOU-SSDOTTSWSA-N	240.097	-0.105	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@]1(C)CO	703786801	VFMARSXNCJAMSM-FXPVBKGRSA-N	229.324	-0.437	50	10	BBGE	
COC[C@H](C(=O)O)N1CCC(O)(C#N)CC1	709394001	NBRDTDHEBIHGGF-MRVPVSSYSA-N	228.248	-0.564	50	10	BBGE	
Cc1nn([C@H](C)CN(C)C)c(C)c1B(O)O	713937476	GEWAPZHPCVXDSL-SSDOTTSWSA-N	225.101	-0.698	50	10	BBGE	
C#CC[C@@H](CO)Nc1nc(N)nc(CCl)n1	717769228	DLOXNHNBSSXBCF-LURJTMIESA-N	241.682	-0.011	50	10	BBGE	
C[C@H](O)[C@@H](C)NC1=C(C#N)[C@@H](N)[N]S1	725590050	WEUQVVZPCUPEBY-ZDLURKLDSA-N	213.286	-0.369	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	823950103	CKOBPWCFOGDMSA-JIGDXULJSA-N	227.264	-0.381	50	10	BBGE	
C#C[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	854777561	GFMUAGDYVIAIIN-LLMHMKPQSA-N	244.254	-0.563	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1119104592	LXCXVZKNNMPAFA-IWSPIJDZSA-N	238.291	-0.143	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCCl)CCN1	1253551038	PMQGPMADVWNSRK-LURJTMIESA-N	240.712	-0.577	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)C1CC1)[C@H]1CCOC1	1261661681	YANGBGSBNSYRFJ-IUCAKERBSA-N	242.275	-0.405	50	10	BBGE	
O=C(/C=C\c1ccncn1)NNC(=O)NC1CC1	1597633448	OENKRJALIABNNI-ARJAWSKDSA-N	247.258	-0.017	50	10	BBGE	
Cc1cocc1C(=O)NNC(=O)c1cnn[nH]1	1616391967	KZIVHWIJYLIDFD-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
NC(=O)C1(CNC(=O)CBr)CC1	1880687463	WWBUNHLMHZSBOK-UHFFFAOYSA-N	235.081	-0.237	50	10	BBGE	
NS(=O)(=O)C[C@@H]1CCCN1C(=O)F	1882788347	WSYYEYXGTSYJIQ-YFKPBYRVSA-N	210.230	-0.171	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CCNC1=O	1883493984	LCAFHQHNYXYSIV-NTSWFWBYSA-N	204.657	-0.134	50	10	BBGE	
NNC(=O)CCOC1CC2(COC2)C1	1885765871	VLXFZTODFHKQLL-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
O=C(O)C[C@@H]1C(=O)NCCN1C(=O)F	1887186601	PHYLZRLUWAYMGS-SCSAIBSYSA-N	204.157	-0.649	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@H]1CCN(C)C1	1888051262	VONNNVPRDUYOCQ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](S)C(=O)NN(C)S(=O)(=O)C1CC1	1888572772	ZORVGGZUUKWGQN-RXMQYKEDSA-N	238.334	-0.240	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCC1(CO)CO	1891562475	FMVZBMRNZRZMBP-SSDOTTSWSA-N	221.684	-0.041	50	10	BBGE	
CONC(=O)c1csc(C)c1B(O)O	1892456484	LTYNQSFFVWCQGK-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccns1	1892925922	XNNGBTMMWUJRMF-UHFFFAOYSA-N	212.039	-0.559	50	10	BBGE	
O=C(NC1([C@H](O)CO)CC1)[C@H]1C[C@@H]1Cl	1893469245	HBHGXHATZRNPPR-LYFYHCNISA-N	219.668	-0.384	50	10	BBGE	
CCn1nnc(CN(C)C(=O)CCl)n1	1894760047	INHAKXUXQWZPIN-UHFFFAOYSA-N	217.660	-0.110	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)[C@@H]1C[C@H]1F	1895382446	WPIMLJJIXMXGQX-HTQZYQBOSA-N	243.068	-0.598	50	10	BBGE	
CN1CC(COCCC(C)(C)C(=O)NN)C1	1899512945	GNQHJNOBGDRCLZ-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1C[C@@]2(CCN(CCC(=O)NN)C2)CO1	1899561165	DMAFYKWIANWOBW-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1900686908	RAWUCSONYQGNNQ-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCCNC1)S(C)(=O)=O	1901372695	ALARJASPSFSNRP-VIFPVBQESA-N	249.336	-0.701	50	10	BBGE	
CC(C)[C@H](CO)N(C)CC(F)(F)C(=O)NN	1902090136	AMCNVGAQPDJSBS-ZETCQYMHSA-N	239.266	-0.440	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOCC[C@H]1C(=O)O	1907641574	SUEBZNHVDLKCQP-HTQZYQBOSA-N	245.279	-0.358	50	10	BBGE	
COC[C@@H]1CC[C@H](Cn2cc(B(O)O)cn2)C1	1908380901	AYNANVSRRRUKOC-VHSXEESVSA-N	238.096	-0.374	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CC#N)C1	1915062129	AUQBPSMSHHAPHS-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](CO)SCC1(C(=O)NN)CC1	1931266421	FNWDKXUYCAXGTC-ZCFIWIBFSA-N	204.295	-0.130	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1931413483	RKDVUPKFUKBHGZ-RBXMUDONSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1936095611	YYIGASKABLIEBM-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1O	1938247960	ZAYZAAAANYWRNY-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NC(=O)NNC(=O)C[C@@H]1CN2CCC1CC2	1938323556	JWWLODMIBWTUGQ-MRVPVSSYSA-N	226.280	-0.582	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](C2CC2)CC1=O	1941093521	HGAPCAMAUZFTSE-LPEHRKFASA-N	237.303	-0.129	50	10	BBGE	
COCCN(CCOC)C[C@@H]1C[C@H]1C(=O)NN	1941094509	NEWWSCLBUTUNKY-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
CON1CCC(N(C)[C@@H](C)CC(=O)NN)CC1	1942617304	XDVWEHPZYTVUHH-VIFPVBQESA-N	244.339	-0.288	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1nccs1	1956926770	SVMOBKXAJZTLHB-LURJTMIESA-N	214.294	-0.394	50	10	BBGE	
C[C@H]1C[C@@H](OC(F)(F)C(=O)NN)CO1	1956932571	VPRJFFFTDJJHFS-CRCLSJGQSA-N	210.180	-0.237	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1962372535	GGOPBPJTKJKUGF-ZABDLSDTSA-N	233.695	-0.044	50	10	BBGE	
NNC(=O)CCCN1C(=O)C[C@@]12CCOC2	1976024360	OYZALIJKPWWYCD-SNVBAGLBSA-N	227.264	-0.852	50	10	BBGE	
O=C1N[C@@H]2CN(CC=CCCl)C[C@H]2NC1=O	1979506955	AHCOTOKLESZBBT-HTQZYQBOSA-N	243.694	-0.920	50	10	BBGE	
CN(CCC(=O)NN)C[C@H](O)C1CCCC1	1979848475	FOEVKWLBRPPXRN-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]2C[C@H]21	1980229976	XPSTWEXOYPFUOY-QEYWKRMJSA-N	224.308	-0.999	50	10	BBGE	
Cc1cc(OCC2COC2)cc(B(O)O)c1	1980866780	LZFYFMLFRAFXFX-UHFFFAOYSA-N	222.049	-0.300	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCCC(F)(F)[C@@H]21	1980941791	YPYAUUYIINQOBS-HCWXCVPCSA-N	233.218	-0.474	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@H]3C2)c(B(O)O)c1	1981468736	HQWNLMZMPDUJPZ-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1981998453	BGWVKUJEGGYDCP-FNCVBFRFSA-N	223.276	-0.377	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2C[C@@H]1CN(C)C2	1987562257	JRPDZBRNXAJRIE-QCLAVDOMSA-N	226.324	-0.611	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCC(=O)N(C)C	1987933102	SSXXGGULENSEJQ-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
O=C(NCC=CB(O)O)c1ncccc1F	1991338419	QYQRWELNKCZXAV-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]1Cl	1991678526	GKEYGSMGXSQCLJ-DTWKUNHWSA-N	239.467	-0.068	50	10	BBGE	
C[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@@H](CO)O1	1991712175	DIGCHULBVJUBEG-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
COC[C@H](O[C@@H]1CCOC[C@H]1F)C(=O)NN	1991732696	VTWVCDCJLACDBW-PRJMDXOYSA-N	236.243	-0.865	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1	1992393543	VAIWGPKNGZSOKB-AATLWQCWSA-N	225.292	-0.239	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCN(C2CC2)C1)C(=O)NN	1997513700	VOFHVLGMAVHISD-ONGXEEELSA-N	240.351	-0.219	50	10	BBGE	
COc1ccc(B(O)O)cc1OC[C@@H]1CCO1	1998269618	DSMNRDPFWHGRTN-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CNCC[C@@H]1C	1999919376	KHJYNMXZCYINTA-WCBMZHEXSA-N	242.323	-0.917	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@]2(C)C[C@]2(CO)C1	2001045028	DUMQNSQGXWTCNF-FSZOTQKASA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CN(C)CC[C@H]21	2004168486	GOCRLPFHYUTMDU-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2004911506	HYWIBMREVREELK-JIOCBJNQSA-N	231.064	-0.999	50	10	BBGE	
Cc1cc(N2CCO[C@@H](C)C2)ncc1B(O)O	2004918939	RUWFCOPENJKUIL-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1nc(N2CC(CCF)C2)ncc1B(O)O	2004974887	QOQALAPVRITOFB-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](OC)C[C@H]21	2008784286	BCCFTIGNPYTQGK-SGIHWFKDSA-N	243.307	-0.900	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)CCCC1=O	2008865988	DXSRJMMCAPMTCB-UHFFFAOYSA-N	249.217	-0.459	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1cccc(B(O)O)n1	2009675607	HMWYREJNBBAYHY-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CC(n2cncn2)C1	2011124464	HLYBDKOHTPXBHQ-AFPNSQJFSA-N	238.295	-0.708	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1nccn1C	2019211115	PLFKJADMWBACHE-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
CCOCCOC(=O)N[C@@H]1CCC=C1B(O)O	2020062445	QYDGOLMICPJOTG-SECBINFHSA-N	243.068	-0.150	50	10	BBGE	
CCCc1ocnc1C(=O)NCC#CB(O)O	2021107298	PUJJDXPFDCKRDB-UHFFFAOYSA-N	236.036	-0.628	50	10	BBGE	
OB(O)c1ccc(CN2[C@@H]3COC[C@H]2C3)cc1	2021410173	XKCBIPZDHKTBGJ-TXEJJXNPSA-N	233.076	-0.661	50	10	BBGE	
C=C[C@]1(CO)COCCN1CCCC(=O)NN	2022249139	DEVBGTAMWSPYCI-NSHDSACASA-N	243.307	-0.994	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ccncc3B(O)O)C[C@H]21	2025800893	NSVHZRDRJANOJQ-BBBLOLIVSA-N	232.092	-0.146	50	10	BBGE	
N#CC1(O)CCN(CCO[C@@H]2CCNC2)CC1	2026113580	WYJAWRNIFFTZAO-LLVKDONJSA-N	239.319	-0.285	50	10	BBGE	
C[C@H](CN1CCN(C)c2ccncc21)C(=O)NN	2051558122	KONPOYMDZCTHKE-SECBINFHSA-N	249.318	-0.036	50	10	BBGE	
OB(O)c1cncnc1-n1cc(C2CCC2)cn1	2052597424	QOQLPPWTGBFJAY-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2c1ccc(B(O)O)cn1	2058060961	UQEMXDHHZLDTRM-HBNTYKKESA-N	248.091	-0.625	50	10	BBGE	
CCOc1cc(F)c(C=O)c(B(O)O)c1	2060117626	VJSFVLIVXQNHFD-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)cc1C=O	2060133559	DTUFJDUAOSCBDD-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(B(O)O)c1C=O	2060280960	BZFXHTWQJMXAOY-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
COCc1nccn1Cc1ccccc1B(O)O	2062002323	MSMKUWAMXUTRMC-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnn2ccncc12	2076076028	JOTMVOGZNFYNAK-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
C#C[C@H]1COCCN1C[C@H](O)CCl	2209322034	INKDFPUCZHKDHY-DTWKUNHWSA-N	203.669	-0.080	50	10	BBGE	
CN(CC(=O)NN)C1CSCCSC1	2209893700	SRSJMLLOMSJKEX-UHFFFAOYSA-N	235.378	-0.243	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CCC12CC2	2211245576	PDNVFLNLEIOSAY-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CC(C)[C@@H](CO)Sc1ccc(B(O)O)cn1	2212600052	RRYKKNRANDMPAI-SECBINFHSA-N	241.121	-0.130	50	10	BBGE	
CC(C)[C@H](CO)Nc1ccc(B(O)O)cn1	2212604041	LGVUSLYXOKSYQP-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
C[C@H](CCO)CNc1ncccc1B(O)O	2212605244	AMRXJEZLKYTFBU-MRVPVSSYSA-N	224.069	-0.808	50	10	BBGE	
C#C[C@H](Oc1cc(B(O)O)ccn1)C(C)C	2212608724	WACPODBRGWBFJN-JTQLQIEISA-N	219.049	-0.202	50	10	BBGE	
CSCCCCN=c1ncc(B(O)O)c[nH]1	2212610735	OEKJZPQCZLBNBL-UHFFFAOYSA-N	241.125	-0.867	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2212611305	YVTNVUMYMGEGMI-SFYZADRCSA-N	221.069	-0.964	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCC[C@H]1O	2212899254	JSSZCNRGJJEOTO-NXEZZACHSA-N	243.307	-0.611	50	10	BBGE	
C[C@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2214592244	CXDKOJSJMCCLBD-LBPRGKRZSA-N	235.092	-0.677	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215778267	YGKXTGLHINSSMN-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CCCO)CNc1ncccc1B(O)O	2217173704	SZGWYCLCCVCEFJ-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)C(C)(F)F	2217174412	YUNCYANYERWNGR-ZETCQYMHSA-N	244.050	-0.114	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncccc2B(O)O)CO1	2217180404	SUAQPAJUWXFHOX-MRVPVSSYSA-N	236.080	-0.259	50	10	BBGE	
CC[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CO1	2217182647	BSPHTCMZSXMXMA-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185641	ZSEZJKPYIMFYNA-RQJHMYQMSA-N	242.059	-0.264	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)[C@@H]1CCN1	2217188332	MNJUPEKWINHXQI-SVRRBLITSA-N	240.043	-0.970	50	10	BBGE	
C[C@@H](N)CC(C)(C)Oc1cc(B(O)O)ccn1	2217189493	DWOIHJIYXRQOOH-MRVPVSSYSA-N	238.096	-0.344	50	10	BBGE	
CCCC1(Oc2cc(B(O)O)ccn2)CNC1	2217190320	MTOUMCGSWCQBJO-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Nc1ccc(B(O)O)cn1	2217197646	PDCLGCJDRIFMRI-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3CNC[C@@H]32)c1	2220066942	UPWSBGJOXWMAIH-YPMHNXCESA-N	246.119	-0.840	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3OCCC[C@H]32)c1	2223632588	LSPZOTZBKQWOTE-AXFHLTTASA-N	248.091	-0.259	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCN2C)cc1B(O)O	2223641091	PRTQKHPYCPDNTO-JTQLQIEISA-N	249.123	-0.424	50	10	BBGE	
CN1CCC[C@H](Nc2cc(B(O)O)ccn2)CC1	2223650582	OIIKOTNCRQAOJI-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ccn(C)n1	2223651152	ARALGUDJKRCWHD-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCC2(CC2)NC1	2223653897	VNZQUQXZIBYQGW-VIFPVBQESA-N	248.091	-0.575	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1coc(B(O)O)c1	2243346738	BSFLLXQQJMBYRE-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
Cc1nnc([C@H](C)NC(=O)C#CB(O)O)s1	2243348987	CYKSTYFBVIRXIR-YFKPBYRVSA-N	239.065	-0.961	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1sccc1B(O)O	2243361520	CKANBAXEKUAKGE-SSDOTTSWSA-N	239.105	-0.044	50	10	BBGE	
O=C(NCCc1ccon1)C1(B(O)O)CC1	2243364096	QTPOEKXVHVQYQQ-UHFFFAOYSA-N	224.025	-0.660	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@H]1O	2243366275	ZTWAZKCUZYETAU-SSDOTTSWSA-N	227.069	-0.777	50	10	BBGE	
CN(CCCF)C(=O)c1sccc1B(O)O	2243374657	ICMUXAHAZWQQBJ-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1sccc1B(O)O	2243376050	CUVWATWTAKXNIG-SSDOTTSWSA-N	235.073	-0.724	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)[C@H]2C[C@H]2B(O)O)c1C	2243390734	AJXRXTYTNHRKEQ-NKWVEPMBSA-N	223.041	-0.750	50	10	BBGE	
O=C(NCCC1COC1)C1CC(B(O)O)C1	2243396382	LNLNZIVQNDPUNA-UHFFFAOYSA-N	227.069	-0.608	50	10	BBGE	
C#CCSCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396939	SQBGJYWRGPDWOR-KYZUINATSA-N	241.121	-0.278	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)CCO1	2243399948	SUORVWUCKDZIDW-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2CC[C@H]1C2	2243400749	HKQDHRRAAFAAEK-KXUCPTDWSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CN1	2243408232	JNHYREKVPXHLEV-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
O=C(NOCC1(F)CCC1)C1(B(O)O)CC1	2243409689	MZMZLUSHVAGQGV-UHFFFAOYSA-N	231.032	-0.067	50	10	BBGE	
O=C(NCCOCCF)C1(B(O)O)CCC1	2243411159	OYVYTCZCEWRQPA-UHFFFAOYSA-N	233.048	-0.514	50	10	BBGE	
Cc1csc(C(=O)NC[C@@H](C)F)c1B(O)O	2243414954	LJJSGAUODVNOGS-ZCFIWIBFSA-N	245.084	-0.176	50	10	BBGE	
O=C1CCCN1C(=O)c1cc(B(O)O)cs1	2243420403	RUJGJGYKLBLDCE-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
O=C(NCC=C(F)F)c1cscc1B(O)O	2243770672	DCHLWHAVBZBDDY-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCC12CC(CO1)C2	2245195095	YWWMJIGTLWQAIU-VCZAYRLQSA-N	226.276	-0.192	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ccncc1B(O)O	2247734797	JSCVMHQGGWPYFI-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cscc1B(O)O	2247735598	MQGUDFTWBBTWBS-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
O=C(Nc1cncnc1)c1ccc(B(O)O)s1	2247741005	SOOZOLZBMUXTTH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC=CC1	2247761780	XJLGFBHEIRQLFL-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
CC(C)CCNC(=O)c1ccc(B(O)O)cn1	2247768894	ALGVJIDGASWPNL-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
CC[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CC1	2247780566	CVBJLNPTKCRJAK-MRVPVSSYSA-N	237.068	-0.992	50	10	BBGE	
CCC(C)(C)CNC(=O)c1n[nH]cc1B(O)O	2247783498	GEJZLJXEKXMZNH-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787635	RKYRSSFWXUSCHI-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1O	2247797791	MVJHKOVBDNNGHQ-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CN1CC(CCNC(=O)C2CC(B(O)O)C2)C1	2247808161	SUIQMMICSQKLPV-UHFFFAOYSA-N	240.112	-0.693	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808348	KVPROZOVCHGJRM-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CN1	2247808444	KXMPATGIAPXMSH-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)CCNCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247809187	YEHXCBBMILYDQR-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](NC(=O)c1ccoc1B(O)O)C(F)F	2247866124	GXJGNUFPJHHSPD-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H]1CNC2)C1(B(O)O)CC1	2247873606	KIEIPPSXJRUIKO-SCZZXKLOSA-N	238.096	-0.891	50	10	BBGE	
Cc1cc(C(=O)NCC(F)F)ccc1B(O)O	2247874597	NFGMQCWIMUOJOA-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
C[C@]12CN(C(=O)C3(B(O)O)CC3)C[C@]1(CO)C2	2247878531	LEZIDMWDERUODA-UWVGGRQHSA-N	239.080	-0.776	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)o1	2247897418	SEKXGPRYROMYBC-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899570	OHYQUNJHTGNFSG-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
O=C(C#Cc1ccccc1)NCC=CB(O)O	2248441088	KTYAFNRFKKTJII-UHFFFAOYSA-N	229.044	-0.278	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(B(O)O)cc1F	2248444010	UYCDGOYPGPQGHJ-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@@H]1C	2249419327	GAGUIRPMMXNXHI-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@H](C)C#N	2255513665	VQBUTPAEOHLINT-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1c[nH]nc1B(O)O	2255549765	IMVDGJBCBPKIEE-JIGDXULJSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553189	VPXGRSYHLHLUHB-RNJXMRFFSA-N	249.079	-0.992	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255669029	IKDRPNGWDAQPJA-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
CNCc1ccc(CNC(=O)C#CB(O)O)cc1	2255670283	WSGYAZSFAFECEK-UHFFFAOYSA-N	246.075	-0.962	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)cc1C	2255683516	XTZRLHXPNQZHGP-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2255721024	SHMHXMILCCXPHW-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
N#CC1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2255727057	JRTMVSYSMQPBCI-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
C#CC(C)(C)NC(=O)c1c(C)cccc1B(O)O	2255735796	AQYWSYIHWCKTLA-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1cncc(B(O)O)c1	2255736406	MVVAUPAIMDZJTJ-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
O=C(NCc1ccnn1C1CC1)[C@@H]1C[C@H]1B(O)O	2255765212	MUJKDBNJRXLBPK-NXEZZACHSA-N	249.079	-0.303	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255772701	BAGYKAIOZHRKDM-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H](C2CC2)C1	2258122660	FSPPCYYICATJID-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
CCOC(=O)C(C#N)=CNCCNC(C)=O	2295663581	FCQYSKYGQLREHH-UHFFFAOYSA-N	225.248	-0.317	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@]1(C)CO	2298376556	CBLZHUCLLOANNS-DKIAZLNASA-N	241.096	-0.674	50	10	BBGE	
CCCCNC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	2303098142	DJFIKDNBAKYPSH-UWVGGRQHSA-N	242.128	-0.160	50	10	BBGE	
O=C1CN(CCC2COCCOC2)CC(=O)O1	2307377768	SOFGOTXVMQQYSU-UHFFFAOYSA-N	243.259	-0.575	50	10	BBGE	
Cc1cnc(N[C@@]23CC[C@@H](C2)NC3)cc1B(O)O	2320524568	AHYLBDDDMHMAKF-CABZTGNLSA-N	247.107	-0.624	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cn2cccnc2n1	2326757867	MKTPXIWKEHZFLI-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@@H](N)C(C)C	1605714	KWHMENNFWCIVBZ-YUMQZZPRSA-N	230.312	-0.900	50	10	BBGE	
CCCCC(=O)N1CCN(C(=O)NN)CC1	71533692	MZGQPIXSQAHVLR-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
O=C(O)C[C@H](NC(=O)CCCl)C(=O)O	82268992	LTQUKVABBPPVPF-BYPYZUCNSA-N	223.612	-0.341	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSCC1	82466608	VWWAUBFWMHHKKU-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](CC)C(=O)NN	82470267	QTDBZWISTIOILE-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)Cn1cnc2ccsc2c1=O	84691044	WJYJHXUDHFAUCZ-UHFFFAOYSA-N	224.245	-0.552	50	10	BBGE	
COC[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	86598051	DCESWEMBBLKQBY-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
COCc1nc(N)sc1C(=O)NN	95952809	KFBNHEKOSJPXDT-UHFFFAOYSA-N	202.239	-0.525	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)CCl	130229412	IAGDSXMWCQQUCP-LURJTMIESA-N	220.656	-0.801	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2cc(C)cn2)c1	203582576	ITHFGHGQOGTFLB-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](C(N)=O)C1	218349555	NREAHJDTTLNRQK-PHDIDXHHSA-N	204.657	-0.053	50	10	BBGE	
CNCCN(C)Cc1cccc(C(=O)NN)n1	234364511	VNSJOCDGMFGKQZ-UHFFFAOYSA-N	237.307	-0.664	50	10	BBGE	
COC(=O)CSC[C@@H]1NC(=O)OC1=O	238322321	MPLUXSVGPGLKEC-BYPYZUCNSA-N	219.218	-0.472	50	10	BBGE	
OB(O)c1cccc(O)c1OC(F)(F)F	238626259	HTYSMLQWYHFAQY-UHFFFAOYSA-N	221.927	-0.029	50	10	BBGE	
OB(O)c1ccccc1-c1ccncn1	238628549	IVZOOLFZSSUKJX-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCNC(=O)C1=C(C#N)C=NS1(=O)=O	259996156	CIPDOBFETVDCOD-UHFFFAOYSA-N	213.218	-0.686	50	10	BBGE	
C[C@@H](NC(N)=O)C(=O)NNC(=O)OC(C)(C)C	298291244	FHCSAMOBUZNSGV-RXMQYKEDSA-N	246.267	-0.401	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@@H](CO)O1	299970371	UDXAAMSWQDVWRN-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@@](O)(CO)C1	307151832	FPPLZPXSEYUYDA-BDAKNGLRSA-N	218.684	-0.063	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1COC[C@@H]1O	307588675	YDCJCNVFHHJUTF-JKUQZMGJSA-N	238.081	-0.354	50	10	BBGE	
NNC(=O)c1csc(Cn2cccn2)n1	328426259	UFBKCSMEXYTPBO-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@@H](COC)C(=O)NN	380610198	XVTZFDBYRZOUGZ-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)cc1O	396062449	UIFUAKHVJWNELC-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
N#Cc1c(CO)cc2sccc2c1B(O)O	396225994	REXBLGVXZXHJJA-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1csc2c(B(O)O)ccc(O)c12	396352751	YLCKGSNVQPUBKM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC(C)O[C@@H]1CCCN(C(=O)C(=O)NN)C1	404668785	VDPZJIIIHGDNFR-MRVPVSSYSA-N	229.280	-0.608	50	10	BBGE	
O=S(=O)(Nc1ccccc1B(O)O)C1CC1	405094384	WIWAINTVXXNIMK-UHFFFAOYSA-N	241.077	-0.730	50	10	BBGE	
CCC[S@](=O)CC(=O)NNC(C)=O	526866025	HDELHNJUMNOXBQ-ZDUSSCGKSA-N	206.267	-0.688	50	10	BBGE	
C[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1	585025222	OYAUMDBPIOGZIA-NXEZZACHSA-N	237.108	-0.527	50	10	BBGE	
C[C@@H](CO)CN(C)[C@H](C)CC(=O)NN	688388422	RYYURBCCTVUUOY-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
N#CC1(O)CCN(c2nnc(CN)o2)CC1	692083694	CDAUSTYZFWTJON-UHFFFAOYSA-N	223.236	-0.617	50	10	BBGE	
Cn1cc(N)c(N2CCC(O)(C#N)CC2)n1	692149413	YFKMLAAAIFMOPT-UHFFFAOYSA-N	221.264	-0.143	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC12CCCC2	693894314	ODSPZBOTAAYGAO-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
CN(CCBr)C(=O)c1nnn(C)n1	697199802	CNPXEKTUPDJBNS-UHFFFAOYSA-N	248.084	-0.323	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1CO	700397838	BPGXKGHSDSXIST-DBIOUOCHSA-N	243.351	-0.049	50	10	BBGE	
Cn1nccc1/C=C/C(=O)NNC(N)=S	700852321	DHAACSZZJKFPBB-NSCUHMNNSA-N	225.277	-0.702	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](N2CCC2)C1	702239953	ONDXMIBVGRSRNS-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
CN(C)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703421735	HDMBSZBUWIHFFL-YUMQZZPRSA-N	212.249	-0.536	50	10	BBGE	
COC[C@@H](Sc1ccc(C)nn1)C(=O)NN	712408297	ILDHRDGQVDFZGY-SSDOTTSWSA-N	242.304	-0.118	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](C1)C2(F)F	715401878	KAKGXFMSMCQCJB-VQVTYTSYSA-N	219.235	-0.048	50	10	BBGE	
NNC(=O)N[C@H]1CC(=O)N(CC2CC2)C1	716684917	HZAQAEBJJFQLIH-ZETCQYMHSA-N	212.253	-0.830	50	10	BBGE	
NC(=S)NNC(=O)CCOC1CC1	716856180	AGGBQOWDGUFXGA-UHFFFAOYSA-N	203.267	-0.580	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CCNC[C@@H]32)CC1	721051378	VSTVSQQRWJUGPF-GARJFASQSA-N	249.314	-0.281	50	10	BBGE	
COC[C@H](Cl)CNCC1CS(=O)(=O)C1	722771302	FPHNIIDXEFTMOX-MRVPVSSYSA-N	241.740	-0.126	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H](O)C1CCC1	823624675	DORUWDHQYXHXIO-MRVPVSSYSA-N	243.332	-0.171	50	10	BBGE	
CO[C@H](CS(=O)(=O)NNC(C)=O)C1CC1	842574132	TUIWLDXEMIXTGX-MRVPVSSYSA-N	236.293	-0.618	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@H]1[C@H]2OCCC[C@@H]21	854923047	YBRILQIUQHZIER-PRJMDXOYSA-N	243.332	-0.121	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCC1)c1cc[nH]n1	855354373	CLMPUCKMTWZOMT-QMMMGPOBSA-N	238.247	-0.668	50	10	BBGE	
Cc1nc(C#N)cc(N2CC[C@@H](B(O)O)C2)n1	900964648	HFFPZNZAOMJPNE-MRVPVSSYSA-N	232.052	-0.290	50	10	BBGE	
CC(=O)NNC(=O)COCc1nccn1C	1328615225	JZOZIANSOKPKHA-UHFFFAOYSA-N	226.236	-0.896	50	10	BBGE	
Cn1cnc(C(=O)NNc2cccnn2)cc1=O	1446657506	BEDPMOFWKXRVQI-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
Cn1cc(C(=O)NNc2cccnn2)nc1O	1466329894	JIWGWFRNXXQIHQ-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
O=C(NNC(=O)C1CCC1)c1nsnc1O	1543355269	KPDMQAQAGINMFE-UHFFFAOYSA-N	242.260	-0.195	50	10	BBGE	
C=C(CO)C(=O)NNc1nc2ccccn2n1	1567572574	RIXGRXMLKDBYRO-UHFFFAOYSA-N	233.231	-0.279	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C	1598215753	ALKLJZRGODYOCV-WDSKDSINSA-N	244.251	-0.778	50	10	BBGE	
CC[C@@H](C(=O)NNc1nc[nH]n1)[C@H](C)O	1611412432	SJFZNXWRUQAQPI-NTSWFWBYSA-N	213.241	-0.345	50	10	BBGE	
O=C(CCl)N[C@@H](Cc1cnc[nH]1)C(=O)O	1865982786	SFUHFOLHNZMHBP-LURJTMIESA-N	231.639	-0.240	50	10	BBGE	
CN(C)NC(=O)[C@H](O)CNC(=O)OC(C)(C)C	1880122453	IZZYWKOTIAYRDW-SSDOTTSWSA-N	247.295	-0.535	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1Cl)C(CO)CO	1883633841	CSVCVILEEKFJQC-BQBZGAKWSA-N	207.657	-0.575	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883645537	PTHIZCVTXADXGG-BDVNFPICSA-N	207.657	-0.528	50	10	BBGE	
C#C[C@H](CCl)NC(=O)Cn1cnnc1	1884829621	SRHJZQADLQRDKA-SSDOTTSWSA-N	212.640	-0.365	50	10	BBGE	
CN(N)C(=O)[C@H](C1CC1)S(C)(=O)=O	1886834505	NTAYWRWKOFIHIU-LURJTMIESA-N	206.267	-0.858	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)NNC(N)=O	1886968476	JCGNDRNOTMHGRD-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
CCSCC(=O)NCCC#CB(O)O	1888874555	NPUWMCCXHMVXDP-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
CCOCCCN1CC[C@H](B(O)O)C1	1891490730	FNBKNGWSDNRDHZ-VIFPVBQESA-N	201.075	-0.038	50	10	BBGE	
NC[C@@]1(OC(=O)F)CCCS(=O)(=O)C1	1891560629	VXZIUCFOHSKFQR-ZETCQYMHSA-N	225.241	-0.001	50	10	BBGE	
N=c1[nH]c(=NC[C@H]2C[C@H]2Cl)[nH]cc1N	1893119633	PNWAXICMZCLVPM-RFZPGFLSSA-N	213.672	-0.068	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(O)(C(=O)O)C1	1893469000	DRTDWCTWKCTPBO-RFZPGFLSSA-N	219.624	-0.728	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)[C@@H]1C[C@@H]1B(O)O	1893674780	LBIBEORNRDVRER-UCROKIRRSA-N	201.006	-0.534	50	10	BBGE	
C=C(CN(C)CCCN(C)C)B(O)O	1895148855	MBLLYDHXFLZYPI-UHFFFAOYSA-N	200.091	-0.562	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](O)C2)C1	1895941084	LXFLMOGGKOOKQF-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(CN1CCOC[C@@H](F)C1)C(=O)NN	1900250670	MZDDNZHZPWMPEW-QMMMGPOBSA-N	233.287	-0.327	50	10	BBGE	
CON(C(=O)c1cnsc1B(O)O)C(C)C	1900454482	LNETZCISZTWHJA-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
CN(NC(=O)CC1CNC1)S(=O)(=O)C1CC1	1901341605	XMMKIHBGQISLTF-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
CC(C)[C@H](OCC1[C@H]2COC[C@H]12)C(=O)NN	1902165980	QNCSUHUBYBQBIS-NRPADANISA-N	228.292	-0.090	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1[C@@H]2COC[C@H]12	1902331136	OSASIYUIZCYUCO-IGORNWKESA-N	226.276	-0.479	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]1C1CC1	1902508106	JFZFSCUXOQBZAH-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)[C@@H](F)C1)C(=O)NN	1902715152	DQFSMIHDPQOVOQ-OYNCUSHFSA-N	233.287	-0.593	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)[C@@H]1C	1903009659	GLETXFYAYVOAIP-NKWVEPMBSA-N	224.044	-0.255	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)C1CSC1	1915197320	XYZCXRZMOMWEOD-UHFFFAOYSA-N	241.316	-0.796	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C1COC1	1915672270	PQJLTFGAOVOXGG-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1F)C1COC1	1915675031	ZFALCGJEWGANNI-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C(C)(C)CO	1927914907	ZOOGZRPLNFCUMA-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)N1CCOC[C@@H]1[C@H]1CCOC1	1928026368	KFDBJUSEONBOPX-JGVFFNPUSA-N	215.253	-0.693	50	10	BBGE	
NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCl	1928650646	FMCWRDCPCNNHKC-LURJTMIESA-N	240.712	-0.495	50	10	BBGE	
Cc1ccc(C(=O)NNCCO)nc1C	1929834262	YPRGGYFDESBOKK-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1O	1931258581	CMKRMRKALVVFOD-JGVFFNPUSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1[C@H](C(=O)NNC(N)=S)C1(F)F	1932943567	KFUUQKGCDYPTFT-STHAYSLISA-N	209.221	-0.248	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1937984437	NNFOPJHMBDKUKO-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)Nc1ccc(C(=O)NNCCO)cc1	1944218801	OXLCDYMDYPSLPZ-UHFFFAOYSA-N	238.247	-0.596	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1944711629	CNUHAHMKVKAFII-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(C)O[C@@H]1CCCN(C(=O)C(=O)NN)C1	1948358585	VZVBPOROOFETTD-MRVPVSSYSA-N	243.307	-0.218	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@@H](CN)C1	1954214264	CNWDHTVPYSBWHN-YUMQZZPRSA-N	203.673	-0.223	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnsn1	1956423722	FAYLDSISJWFVCE-RXMQYKEDSA-N	215.282	-0.652	50	10	BBGE	
CCCN1CC[C@H](N(C)CC(=O)NN)C1	1958581175	MBDUPVNECOVLBR-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)C[C@H]1C	1958676486	IDHPHFUCSDUVLZ-GJMOJQLCSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@]2(O)C1	1961400113	VUQHILFAMZETBS-SCZZXKLOSA-N	213.281	-0.787	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C(C)(C)C	1961692517	TZQQFQJGBKTONQ-UHFFFAOYSA-N	209.058	-0.609	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](F)C1	1961696996	USJDZJOMCDOMGZ-ZETCQYMHSA-N	210.017	-0.690	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)N1CC[C@@H](B(O)O)C1	1967588478	TXDHCLMOBUYBPX-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](CN(C)[C@@]1(C)CCOC1)C(=O)NN	1974594814	HPSFTPKNSQIFTL-SCZZXKLOSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1978185338	RZBLAMANWKNBPB-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@@](=O)[C@@H](C)C1	1981188877	RWYMITLCDRZALV-AGRCIMAESA-N	247.364	-0.546	50	10	BBGE	
CC(=O)NNS(=O)(=O)N1CCC(C#N)CC1	1982310700	ZARFDBCASUIIHA-UHFFFAOYSA-N	246.292	-0.893	50	10	BBGE	
CCN(CC)CCOC[C@H]1C[C@@H]1C(=O)NN	1982847934	FOPZXROHYQDKLU-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)[C@@H]1CCOC1	1984130082	NULQBSBJFLVHLS-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC[C@H]2O)C1	1984543404	SROKWAYGRNZFNF-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	1985562545	WMSUILPTUZDUQM-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@](F)(Cn1cc(B(O)O)cn1)C(F)(F)F	1989407523	URCBPJZLRMZILO-LURJTMIESA-N	239.965	-0.147	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](c2nncs2)C1	1991149920	KSHNETSGHWQBRL-NKWVEPMBSA-N	241.320	-0.294	50	10	BBGE	
NC[C@@H]1C[C@@H](CNC(=O)/C=C/C(=O)Cl)CO1	1991707339	ZGHJLRURPDIZET-HIQWKFPQSA-N	246.694	-0.212	50	10	BBGE	
Cc1nc(C(=O)NCC#CB(O)O)c(C)s1	1992153044	LCDQHIGNJYBFJM-UHFFFAOYSA-N	238.077	-0.495	50	10	BBGE	
C[C@@H]1C[C@H]2CN(CCOCC(=O)NN)C[C@@H]12	1995063886	BPOOPRZGMATJJM-UTLUCORTSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCC[C@]2(CO)C1	1997169556	FDMRFOAKISLFAZ-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
COCCN1CC[C@H](N(C)CCC(=O)NN)C1	1997504517	RWELHCBZNSVUEY-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(CCOCC(=O)NN)C1	2001933727	PWIBPOVJAZFJRT-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@@H](C)CCC(=O)NN)C1	2002123094	WKNGUEVPZVRTCG-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
CCN(CC(F)(F)F)c1ncncc1B(O)O	2004915002	UXGKHEFGUOEWNV-UHFFFAOYSA-N	249.001	-0.455	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2COC[C@@H]2C)n1	2004930832	XAAJCHBWRAWZTC-OIBJUYFYSA-N	237.064	-0.516	50	10	BBGE	
COC[C@@]1(F)CCN(CC2(C(=O)NN)CC2)C1	2009642137	MESCNYPSJBKTHL-LLVKDONJSA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CC[C@H]2C1	2014770592	YFRHUKDVTABCEB-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
Cc1ncc(C(=O)N[C@H]2CCC=C2B(O)O)o1	2020055678	DEPGWGUKNLOSNZ-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
C=C(CN1CC[C@H](c2nccn2C)C1)B(O)O	2021159309	QRTSRUBRFGOMMD-JTQLQIEISA-N	235.096	-0.222	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccccc1B(O)O	2022196300	KFZGEPXHXCLDHD-UHFFFAOYSA-N	243.018	-0.297	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(CCOCC(=O)NN)C1	2025523556	YRMFFPUPNKMABF-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1cnco1	2031811694	WICPGNWRNFVKCC-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@H](C(=O)Nc1ncc(B(O)O)cn1)C1CCC1	2040766963	LBSVJFARCPERRN-SSDOTTSWSA-N	249.079	-0.469	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H](C#N)C2)n1	2050241011	DPXOBMPVZSUTDW-QMMMGPOBSA-N	248.290	-0.631	50	10	BBGE	
Cc1ncnc(O[C@@H]2C[C@H]3C=C[C@H]2C3)c1B(O)O	2052491213	IUOUKNQDDQAUAT-LPEHRKFASA-N	246.075	-0.192	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3CC(C3)C2)n1	2052619914	LSTBAXWOGPHFAA-UHFFFAOYSA-N	247.107	-0.381	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3CC2(C)C3)n1	2052620505	UQEGAQFIKACQNO-UHFFFAOYSA-N	247.107	-0.238	50	10	BBGE	
Cc1cnc(N(C)c2cnn(C)c2)c(B(O)O)c1	2052624721	HQSOELAQPBWKOT-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
CC12COC(Cn3cccc(B(O)O)c3=O)(C1)C2	2058155167	KEWMDFHYHQEMJZ-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C=C[C@H]1CCOC1	2059309393	MNERTKLKUBIJOO-UWVGGRQHSA-N	228.292	-0.077	50	10	BBGE	
COC[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2069651631	VXBJWLKIOORDNJ-LDYMZIIASA-N	249.075	-0.413	50	10	BBGE	
CCn1nccc1C(=O)N[C@@H]1CCC=C1B(O)O	2076076230	LNQBHBOYWHLDKM-SECBINFHSA-N	249.079	-0.266	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cccnc1O	2076077924	CQGQLDXMGYXVFV-VIFPVBQESA-N	248.047	-0.382	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCC[C@@H](O)[C@@H]1O	2209413300	CDUCXMRQTWFSST-FSDSQADBSA-N	243.712	-0.624	50	10	BBGE	
CN(CC(C)(F)F)c1cc(B(O)O)ccn1	2212601099	IQDKDPFGPXGIMK-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C(C)C	2212604294	VSRIBWUBYOMKFG-VIFPVBQESA-N	219.053	-0.774	50	10	BBGE	
C[C@H]1CSCCN1c1cc(B(O)O)ccn1	2212610398	IDTZYDARAKXYOH-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)[C@@H]1C	2212614295	CDDQBVVDNARRRH-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@@H](O)[C@H]1C2	2215778089	XFUHTSOFNXDPDJ-ISUQUUIWSA-N	239.319	-0.542	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CC1(C(=O)NN)CCC1	2216490831	JZPQMXUDDANHLV-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](COC(F)F)Nc1ncc(B(O)O)cn1	2217175643	LMXBVJXQGQPWLN-YFKPBYRVSA-N	247.010	-0.804	50	10	BBGE	
CC[C@H](N)CCOc1cc(B(O)O)c(C)cn1	2217180515	IIEHQJVMGMIASY-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
Cc1cnc(O[C@H]2CC[C@H]2CN)cc1B(O)O	2217182841	HHFPGLHGOOIANB-WPRPVWTQSA-N	236.080	-0.814	50	10	BBGE	
CC(C)[C@@H](N)CCOc1cc(B(O)O)ccn1	2217192103	MTAUSLFCZNKLQS-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CC[C@@H](C)[C@H](N)COc1cc(B(O)O)ccn1	2217192180	WQFUPEDCUCWXTO-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
C=CC[C@H](CO)CNc1cc(B(O)O)ccn1	2217199031	JNUXAYCEHXUZGG-VIFPVBQESA-N	236.080	-0.642	50	10	BBGE	
C[C@H]1OCC[C@H]1CNc1cc(B(O)O)ccn1	2217203979	CPRQGLIQTLSBNW-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
O=C1CCOCCN1Cc1cccc(B(O)O)c1	2220062966	JPGYRCPMTOGDDZ-UHFFFAOYSA-N	249.075	-0.885	50	10	BBGE	
Cc1c(C(=O)NCC#CB(O)O)cnn1C1CC1	2221126835	WWCIXDRMPODRSG-UHFFFAOYSA-N	247.063	-0.728	50	10	BBGE	
C[C@H]1OC2(CNc3cc(B(O)O)ccn3)CC1C2	2223634206	HQTMRQSOLKDNFQ-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CC[C@@H]2CNC3)c1	2223634668	NKSDUJJWVWBSEI-SKDRFNHKSA-N	247.107	-0.827	50	10	BBGE	
C[C@@H]1OC2(C)CC1(Nc1cc(B(O)O)ccn1)C2	2223636895	NCXRYYOZPUEADA-RKWZHAFESA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C[C@H]3CC[C@H]2N3)c1	2223656558	OQHGIEAQBXUCOP-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C[C@H]2CC[C@H]1C2	2224027678	ABKWZPFQZBCPFR-LPEHRKFASA-N	248.091	-0.641	50	10	BBGE	
Cn1c(=O)c(F)c(O)n(CCCl)c1=O	2241379191	FARIBIZFYGREKL-UHFFFAOYSA-N	222.603	-0.370	50	10	BBGE	
COC1(C(=O)NNCCO)CC(C)C1	2241404366	YXBWQGGIWKWXOD-UHFFFAOYSA-N	202.254	-0.585	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(O)(CCO)C1	2241808099	KQSIMKXZXDXZPF-ZETCQYMHSA-N	221.684	-0.041	50	10	BBGE	
O=C(NC1[C@H]2COC[C@H]12)C1(B(O)O)CCC1	2243365006	GKNKXCLMSGHDDR-BQBZGAKWSA-N	225.053	-0.856	50	10	BBGE	
CN[C@@H](C)CCNC(=O)C1(B(O)O)CCC1	2243365235	KADWSIUHCVKXBN-QMMMGPOBSA-N	228.101	-0.502	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC(N)C1	2243382946	SOENUESVVMEDQR-VHSUDJNHSA-N	226.085	-0.907	50	10	BBGE	
C[C@@H](CO)CN(C)C(=O)C1CC(B(O)O)C1	2243392136	RMNDAQUHPYFBRH-AFPNSQJFSA-N	229.085	-0.674	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243396030	GGPWKYQPOQDSMZ-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
Cc1nocc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396773	QOBFDZSHBQSZMZ-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@H]2CCCCC[C@H]12	2243398215	BXYCSYPZACMNPE-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCC12CC2	2243401969	ZVYXAMPVGGOBKR-SECBINFHSA-N	221.065	-0.207	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1ccoc1B(O)O	2243407795	ABMBGVWKIOTSMJ-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
CCCCCNC(=O)c1nscc1B(O)O	2243409767	OJBZBMGQEJIBNV-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
C[C@H](CO)CCCNC(=O)C1(B(O)O)CC1	2243411523	VGJFGHUXELNJRV-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@H](C)[C@@H]1C)B(O)O	2243419794	GYQCANBOCVJCEV-CNUIFLNQSA-N	247.125	-0.482	50	10	BBGE	
CC(=CCNC(=O)C1(B(O)O)CC1)C(=O)O	2243769955	YGVXXDDRBQHMRD-UHFFFAOYSA-N	227.025	-0.860	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(B(O)O)co1	2244264658	AQEJNDLYUKCTTD-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NCCC#CB(O)O)S1	2244550928	XOWWLPGCTVWOPR-RKDXNWHRSA-N	241.121	-0.208	50	10	BBGE	
CCn1cnnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2244751123	AGQWPWSGZVSZPP-WDSKDSINSA-N	224.029	-0.901	50	10	BBGE	
Cc1cnc(OC2(C)COC2)c(B(O)O)c1	2245010104	BNYKGDFKRRIWNA-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
OB(O)c1cc(OCC2CNC2)ncc1Cl	2245913120	MLKDXBVYHKQLIQ-UHFFFAOYSA-N	242.471	-0.987	50	10	BBGE	
CCCC1CN(C(=O)c2coc(B(O)O)c2)C1	2247723058	PXXTWFSHHPBGFV-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CO[C@@H](CNC(=O)C1(B(O)O)CCC1)C1CC1	2247731929	AXKBRBCTHCHQGM-VIFPVBQESA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(B(O)O)o1	2247739953	DILSXARJSBNWAE-NKWVEPMBSA-N	241.027	-0.420	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@]1(C)CN	2247753136	BXKLUUXWQPATOS-SCZZXKLOSA-N	240.112	-0.563	50	10	BBGE	
C[C@@H]1CC[C@@](CO)(NC(=O)C2(B(O)O)CC2)C1	2247754996	OXYLACAWPDIAKN-PSASIEDQSA-N	241.096	-0.339	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@H]1O	2247757190	PFFMJXPZRYHGDF-XHNCKOQMSA-N	241.096	-0.341	50	10	BBGE	
C[C@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CCC1	2247758382	VCFKEQVDVLEPSF-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CC(C)(NC(=O)c1occc1B(O)O)C(F)F	2247758710	WGYMMQHQCBAPAF-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
C=CCCNC(=O)c1cccc(F)c1B(O)O	2247759662	UYPZRDKZFWELLY-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2247770669	PXJRUUDMVFPOQJ-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
CN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797366	ITEMGMJJWQGGJM-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)n[nH]1	2247805312	BDXVSAYCEMCURP-ZKCHVHJHSA-N	237.068	-0.413	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CC(O)C2)C1	2247810317	WHKDCZNLIVBBSV-ZKCHVHJHSA-N	239.080	-0.777	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810376	XACJLXNVIQZWQH-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)C1(B(O)O)CC1	2247872390	RBVHZBWGLVMLPT-PSVAKVPMSA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@@H](CCO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247897551	USVOQZURSMQLEO-GUBZILKMSA-N	241.096	-0.483	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCCNC1	2247899880	QZDUNZKTXJEPCC-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C1NCC[C@@H]1CCN1CCC(B(O)O)CC1	2249378008	KGKGIBGEGOSBAS-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
CC[C@H](NC(=O)c1cocc1B(O)O)C(F)F	2249420079	PCROWBNXQHSSRU-ZETCQYMHSA-N	247.006	-0.267	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1cc(B(O)O)co1	2249429704	JYHJVZFHVAVOLV-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250691020	GJVXWOFNLWTYPT-WPRPVWTQSA-N	238.096	-0.809	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@]1(C)CC1(C)C	2250948760	CHIVIJZQULMTDO-NSHDSACASA-N	235.096	-0.219	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2250964743	KDQZAYMUPQHJDW-OPRDCNLKSA-N	242.128	-0.352	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CCC[C@H]21	2255443962	GDIMKWJGXNOFCP-VROVMSAKSA-N	249.075	-0.204	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1occc1B(O)O	2255492432	LLFNLMXVYQXXCO-XKSSXDPKSA-N	249.075	-0.122	50	10	BBGE	
Cc1cccc(NC(=O)c2c[nH]nc2B(O)O)n1	2255546329	CVZPTVZRHLSIRB-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1cnc(C(=O)N2CC3CC2C3)c(B(O)O)c1	2255557409	DYLSWNYPWSNNPJ-UHFFFAOYSA-N	246.075	-0.696	50	10	BBGE	
CCn1ccnc1NC(=O)c1cc(B(O)O)c[nH]1	2255673673	RWBJZFVPESJAAJ-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1	2255685901	IUOWXIIWOZSATM-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CC[C@@H]2C1	2255694008	VWWVLYMAXUCTAD-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
CCC1(NC(=O)c2ncc(B(O)O)cc2C)CC1	2257492307	JHBPPQARMMBTSC-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C(C)(C)C	2258137085	RTODWXVLKCXPHR-SNVBAGLBSA-N	249.075	-0.263	50	10	BBGE	
CC[C@@]1(O)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298164947	SNVDQDZNNLVOPD-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298558496	QNVQMRZVBFTNHW-WNPHYYBUSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)C[C@@H]1C[C@H]1C(=O)NN	2298677189	YFFYNHKHANRYTA-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCN1	2301345073	AZVPWOPGVGUCFH-SNVBAGLBSA-N	231.064	-0.988	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](F)[C@H](CO)C1	2302017695	IHTASXLMXOZUTQ-KXUCPTDWSA-N	247.314	-0.203	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	2302211359	MYEUVHQCDVCIDS-MFDAYCCISA-N	239.319	-0.278	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2OC[C@H]3CCO[C@@H]23)C1	2303103922	GNQNZUBWWOASIF-CHWFTXMASA-N	241.096	-0.661	50	10	BBGE	
CC[C@](C)(CN1CCOC[C@@H]1CO)C(=O)NN	2303420092	OOGSCWAQKMXNCX-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
C[C@H]1COCCN1c1cc(B(O)O)c(F)cn1	2303836867	SFERPEQMNRYVHH-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
O=C(N[C@H]1CCn2ccnc2C1)[C@H]1C[C@H]1B(O)O	2312859679	MCSUWWIGBQLCBI-XHNCKOQMSA-N	249.079	-0.823	50	10	BBGE	
O=Cc1ccc(NCC[C@@H]2CCO2)cc1B(O)O	2317309595	VCCXNOALHKVOOS-LLVKDONJSA-N	249.075	-0.230	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317312404	GQMZLFUXEVYWKN-NXEZZACHSA-N	248.091	-0.529	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@H]1CC[C@@H]1N	2317312531	ISKPSPOZQVRKQM-RYUDHWBXSA-N	248.091	-0.895	50	10	BBGE	
NNC(=O)CCCCCN1CCC(O)CC1	70596823	FVFRSGZBCNRCJI-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ccsc2=O)O1	82471554	SYCGMDLHFHMRTH-NKWVEPMBSA-N	243.288	-0.553	50	10	BBGE	
CC(C)N(CC(N)=O)CC(C)(C)C(=O)NN	86597910	OHOZGYTZCUEXLX-UHFFFAOYSA-N	230.312	-0.802	50	10	BBGE	
CC(C)NC(=O)c1ccc(F)c(B(O)O)c1F	203807169	SIFFTHPNXSGXQK-UHFFFAOYSA-N	243.018	-0.217	50	10	BBGE	
Nc1cc(Br)cc(B(O)O)c1	206079223	CQDKIIWHUZNFRW-UHFFFAOYSA-N	215.843	-0.289	50	10	BBGE	
COc1ccc(B(O)O)c2c1OCCO2	218604968	WLOMDVQHANLMHD-UHFFFAOYSA-N	209.994	-0.854	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C[C@@H]1C	233889111	BOUTZWYFIBGZQB-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
O=C(O)c1cc(Br)ncc1B(O)O	238631478	QSHUHJNIOFPFQJ-UHFFFAOYSA-N	245.825	-0.778	50	10	BBGE	
O=Cc1c(B(O)O)cncc1C(F)(F)F	238636206	GDALYSAZCAQRMX-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC[C@H]2CCOC2)O1	251591861	ZKBJCHPAMBYCKP-GUBZILKMSA-N	244.291	-0.423	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](C)(O)C1	253079487	UQNRTPIFJDNDMQ-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CO)c1ccc2c(c1B(O)O)OCO2	258415428	LLDLVLJQRHBAAP-ZCFIWIBFSA-N	224.021	-0.809	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2[nH]c(=O)[nH]c2c1	258957949	GFFWVDFWEYEHMJ-ZCFIWIBFSA-N	235.247	-0.764	50	10	BBGE	
C[N+](C)(C)[C@H](CSCCB(O)O)C(=O)O	308878086	OHSCLNNDHWLWAN-SSDOTTSWSA-O	236.122	-0.648	50	10	BBGE	
CN1C(=O)C(C)(C)c2cc(B(O)O)ccc21	309148544	MQOYQBQWVZCSSS-UHFFFAOYSA-N	219.049	-0.380	50	10	BBGE	
CCOC(=O)NNC(=O)C[C@@H]1CCNC1	309612958	DAYOQZFYQHYPJB-ZETCQYMHSA-N	215.253	-0.237	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1ccoc1C(=O)NN	385027710	ZRLTZWIGGJLBKX-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C(C)(C)C1	388212154	UXFFRGBOKJLLPV-CIUDSAMLSA-N	229.324	-0.296	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C/B(O)O)[C@@H]2OC(C)(C)O[C@H]21	393828722	HISPYFKZAYAYFO-SCOAXKFESA-N	244.052	-0.554	50	10	BBGE	
Nc1sc2ccc(B(O)O)cc2c1C=O	396254341	KRAAXOPZMBSUKZ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H](F)CN1C(=O)C1CC1	399718983	GIPKBDIAEMKVKX-RNFRBKRXSA-N	215.228	-0.675	50	10	BBGE	
O=C(CC(F)(F)F)Nc1cccc(B(O)O)n1	405029913	OLFVJMYHWQOQGW-UHFFFAOYSA-N	247.969	-0.348	50	10	BBGE	
O=C(/C=C\c1ccsc1)NNC(=O)CO	492511563	WTKPXWVMIJHXML-UPHRSURJSA-N	226.257	-0.099	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)[C@H]1CCCO1	493503363	XTJHEMYXUYTLQG-GRKOMRHMSA-N	228.248	-0.137	50	10	BBGE	
Cc1cc(C#N)c(N(C)C)c(B(O)O)c1	536954006	MLNDVJUJKMITCB-UHFFFAOYSA-N	204.038	-0.388	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1CN(C)C2	687259492	OBWRORCTYDECPI-VLEAKVRGSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N2CCCC2)C1	697798133	FYIAZCPLZDJUKQ-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1CCN(C)C	701450774	XQTHLQIDWHLTRE-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710474395	FGQXBYZFXQISEY-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)c1ncc(CN2CC[C@@H](O)C2)s1	711157350	IDJDZMKUVUPTQO-ZCFIWIBFSA-N	242.304	-0.687	50	10	BBGE	
NNC(=O)C(F)(F)OCCOC1CC1	711945618	KLBXETGFFWSQCC-UHFFFAOYSA-N	210.180	-0.235	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718257736	CNZBQWNKTYOOPB-AXTSPUMRSA-N	225.292	-0.524	50	10	BBGE	
CC(C)(CCN1C[C@@H]2COC[C@H]2C1)C(=O)NN	718261194	UUABNRRUECNNGN-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)N(C)CC(=O)NNC(=O)NC(C)C	745139371	HGHMZIRQUYTQFL-UHFFFAOYSA-N	230.268	-0.797	50	10	BBGE	
CCN1CC(CN(C)C[C@H](C)C(=O)NN)C1	822036452	FJBIJODCNMGDII-VIFPVBQESA-N	228.340	-0.504	50	10	BBGE	
CCC/C=C\C(=O)NNC(=O)c1cn(C)nn1	855185655	WAFSMMFZRRTDMQ-WAYWQWQTSA-N	237.263	-0.068	50	10	BBGE	
O=C(C[C@@H]1CCNC1=O)NN=c1cc[nH]cc1	879420898	RIXWFZODLJMCPL-QMMMGPOBSA-N	234.259	-0.527	50	10	BBGE	
CN(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(N)=O	907188733	VLICGMYMFWDLTB-SFYZADRCSA-N	227.264	-0.157	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)[C@H]1CCCS1	911295307	IKPDIWCKWJCTLR-ZCFIWIBFSA-N	246.288	-0.408	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC	1292130194	BOPUTNKPFDEARL-SFYZADRCSA-N	227.264	-0.072	50	10	BBGE	
CN(NC(=O)c1cccc2ncnn12)C(N)=O	1596546877	OVWIDQLYGAXPSS-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
O[C@@H]1COC[C@@H]1n1cc(CCCl)nn1	1615904071	VBIRWEUMKLJFNW-JGVFFNPUSA-N	217.656	-0.008	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	1652536038	FURKKDXAXWREDU-HTQZYQBOSA-N	239.231	-0.398	50	10	BBGE	
NNC(=O)C(=O)NC1CC(Br)C1	1880964164	GKFWFLQJNVBHPI-UHFFFAOYSA-N	236.069	-0.982	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](F)[C@H](CO)C1	1881831716	CGFNDFMYGHJLRG-NTSWFWBYSA-N	231.676	-0.225	50	10	BBGE	
NC(=O)NC1CN(C[C@@H]2C[C@@H]2Cl)C1	1883553597	REPONXVIPUXNEY-FSPLSTOPSA-N	203.673	-0.034	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@H]1F)C(=O)NN	1887510052	YQZVSAQLBLZZOG-GJMOJQLCSA-N	203.261	-0.098	50	10	BBGE	
Cc1c(CN)cc(CN=[N+]=[N-])cc1B(O)O	1887520908	LEMLHIJZIWWQCN-UHFFFAOYSA-N	220.041	-0.056	50	10	BBGE	
O=C(CCn1cnnn1)NOCCCl	1888301257	ZADXFTLXGHHOKK-UHFFFAOYSA-N	219.632	-0.650	50	10	BBGE	
CC[C@](C)(CSCC(N)=O)C(=O)NN	1891975220	CRMKDQABCOVBJY-MRVPVSSYSA-N	219.310	-0.389	50	10	BBGE	
C[C@H](C(N)=O)N(C)C(=O)C=CC(=O)Cl	1893417574	PXGRTRNQQPXEFK-RXMQYKEDSA-N	218.640	-0.360	50	10	BBGE	
N[C@@H](CCNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893452704	HIRWQILNLCIUQG-JKUQZMGJSA-N	220.656	-0.468	50	10	BBGE	
N#C[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1Cl	1893453454	NCWAAIQRJXLALS-GJMOJQLCSA-N	213.668	-0.062	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(OCCO)C1	1893470169	QCSJDNHNPVMGSV-YUMQZZPRSA-N	219.668	-0.167	50	10	BBGE	
O=C1NC[C@H](CNC(=O)[C@H]2C[C@@H]2Cl)O1	1893470261	QURGPHOXQGYCBN-ZLUOBGJFSA-N	218.640	-0.162	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)CCCN1	1893470983	YKCQQHCNPNQFQY-RNFRBKRXSA-N	216.668	-0.038	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)[C@@H](O)CO	1893505470	VYFTXAIWVLYKRU-QQTLEDFYSA-N	221.640	-0.834	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	1896800002	ZULVDGLGSLTNMH-HTQZYQBOSA-N	221.069	-0.751	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1NCC[C@@H]1C	1901343145	AOLNPEVYKOBONT-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
COC[C@@](C)(CN1CC[C@@H](B(O)O)C1)OC	1902505373	HJEMKMZQGSVYBC-NXEZZACHSA-N	231.101	-0.413	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccc[nH]1	1913604392	CXJVMHPFGOOXBB-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CCN(C1COC1)[C@H](C)CCC(=O)NN	1915657880	MTOLYJUIEODMMK-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2COCC[C@H]21	1928027361	UKUJQHIIBMWBMA-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
NC(=O)CO[C@@H]1CCN(C[C@@H](O)CCl)C1	1928130462	XVZBXNZBSVJSGE-JGVFFNPUSA-N	236.699	-0.838	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1[C@@H]2NCCO[C@@H]21	1929944017	ARFWYGISSAMHSY-DSYKOEDSSA-N	239.102	-0.107	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1CC(=O)NN	1930115808	KRACKIAIIQLFOC-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
CC[C@@H](COC)O[C@H](COC)C(=O)NN	1931008428	SIHRIUACAVBMSF-JGVFFNPUSA-N	220.269	-0.567	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@@H](Cl)CCO1	1933453102	FWWRICNKZLZIIK-BQBZGAKWSA-N	231.687	-0.170	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CC(F)(F)C(=O)NN	1935925919	MPKODUISYMFKEF-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@H]1C[C@@H]1C(=O)NN	1936082411	FENZACMUDNHEHR-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCOC1	1936095517	XWBQQSJQNFTKGF-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CSC[C@@H]1CCN(CCOCC(=O)NN)C1	1936528265	FQKMEJKFYKZZED-SECBINFHSA-N	247.364	-0.322	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@@H]3C2)CC1	1938249128	QEXQOTYIMOFPED-IUCAKERBSA-N	225.292	-0.665	50	10	BBGE	
C[C@H](O)C12CCC(CC1)N2[C@H](C)C(=O)NN	1938703628	BMABVTMVKXEGIG-KZNVNZARSA-N	227.308	-0.257	50	10	BBGE	
CC1(C)COCCN(CCOCC(=O)NN)C1	1942416861	VSNMYHPQZHKANU-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](COC)[C@@H]2C1	1944575587	CDFZKQUJZUQBFN-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COCC[C@@H]32)CC1	1945884071	KWJMIJFFYUGYQP-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1CN(CCn2ccc(B(O)O)n2)C[C@@H]1C	1950188866	HTEYDFYXLYOJRD-AOOOYVTPSA-N	237.112	-0.849	50	10	BBGE	
CO[C@H](CCO)CNC(=O)CBr	1953421391	WSWMZUCYLGJYCJ-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
O=C1C[C@@]2(CCOC2)N1C[C@@H](O)CCl	1955268527	DYZOAOKCIPIFNB-IONNQARKSA-N	219.668	-0.023	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1958122877	QLHGLRCTLVYYKQ-WDCZJNDASA-N	219.191	-0.023	50	10	BBGE	
OB(O)c1cnn(CC2(CF)CCC2)c1	1960326914	FZAUFMGMXDHSBW-UHFFFAOYSA-N	212.033	-0.297	50	10	BBGE	
NNC(=O)C(=O)NC1[C@@H]2CCCCC[C@@H]12	1960590678	VMRPMVJOMGJYBM-RNFRBKRXSA-N	211.265	-0.329	50	10	BBGE	
CCCn1ncnc1CN(C)C(=O)NN	1960789102	AEFYBGMGKHPNHI-UHFFFAOYSA-N	212.257	-0.297	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H](O)C1	1961134270	HEJDPWZSJOVEPF-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CCCN1c1ccc(B(O)O)cn1	1961689929	GFPRBOGEEFJULV-QMMMGPOBSA-N	206.054	-0.250	50	10	BBGE	
CCOC[C@H](C)Oc1nc(B(O)O)cs1	1961695152	ZIIJOEGJQUGYDD-LURJTMIESA-N	231.082	-0.373	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@@H]3C2)n1	1961718172	LAKGXSLMUZFIPK-NKWVEPMBSA-N	224.094	-0.331	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1cccnn1	1974778466	IVXYVADZIQCQKB-UHFFFAOYSA-N	245.691	-0.003	50	10	BBGE	
OB(O)c1cnn([C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1	1978366298	KOWBNCSEJIECLD-RNLVFQAGSA-N	228.007	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ncn(C)c2C1	1980863225	SQFJXFNHDWZHGS-SSDOTTSWSA-N	223.280	-0.843	50	10	BBGE	
CN(CC1(C)CC1)c1ccncc1B(O)O	1981420136	GNMXAWKIGNMYJR-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1cc(N2CC3CC2C3)ncc1B(O)O	1981468731	HODQERSNSCVYKI-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
OB(O)c1csc(N2CCC3(COC3)C2)n1	1981471060	GMLJXRJTRYJMLO-UHFFFAOYSA-N	240.093	-0.950	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@@H](C(F)(F)F)C1	1986847979	MBGZESPVKYWJDN-NTSWFWBYSA-N	241.213	-0.372	50	10	BBGE	
Cc1cc(CN2CC(=O)OC(=O)C2)ncn1	1987177379	OOXVOENSIZQCOU-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)C(=O)NN	1989052287	OWIUVOQESIUTCM-WUNNTHRKSA-N	223.276	-0.663	50	10	BBGE	
COCC1(CN(C)C[C@@H](C)C(=O)NN)CC1	1990605277	NYGUHYHQZPBVTE-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CN(C[C@@H]1CNCCO1)C(=O)/C=C/C(=O)Cl	1991715132	QIJDIZFDHPXSPK-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@@H]2F)nc1	1991722659	UWFUQYMJSMGIRV-JGVFFNPUSA-N	226.016	-0.574	50	10	BBGE	
C[C@@H](CO)SC[C@]12C[C@](C(=O)NN)(CO1)C2	1993883388	ICWJZHYUNUOIDJ-HGNGGELXSA-N	246.332	-0.361	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@@H](C)C[C@H]2C1	1995084274	NZPCIXWEWVIWSM-HGNGGELXSA-N	225.292	-0.259	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	1995621241	RIXIHRAGQLSAOI-FNOZXDMGSA-N	221.304	-0.193	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)c2ncccc21	2004298921	GUSMDJGBSDAMPD-MRVPVSSYSA-N	235.291	-0.284	50	10	BBGE	
CC[C@@H]1CN2CCC[C@H]2CN1[C@H](C)C(=O)NN	2004368549	DVUPFBQEBVNFQT-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)c2ncncc2B(O)O)C1	2004917482	WPLVOQBCNZUJJX-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]2C2CC2)nc1	2004919174	VOGVYZTUROUZLD-SNVBAGLBSA-N	233.080	-0.465	50	10	BBGE	
CC1(C)CCCN(c2ncncc2B(O)O)C1	2004920545	KZUXVGJHAOSCGB-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CC1(C)COCCN1c1ncccc1B(O)O	2004936077	UMIYPHCHYAUFOS-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CCc1nccn1-c1ncnc(C)c1B(O)O	2005007630	KJIVJGHKGPIMTK-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
Cc1cc(N2C[C@@H]3CC[C@H]3C2)ncc1B(O)O	2005014037	FOQHURSJJLJMJT-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC2(C)CC2)n1	2011903977	WQMMRFQHWFIZPV-UHFFFAOYSA-N	236.080	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1C1(O)CC1	2013927114	NIDGPNUFMSHZDX-LPEHRKFASA-N	241.335	-0.010	50	10	BBGE	
CN(CCC#N)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018242551	KHXLLEKKGPQRRL-ZJUUUORDSA-N	240.307	-0.241	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1	2022407772	KPKLKTWZWIBVEV-VHSXEESVSA-N	233.271	-0.104	50	10	BBGE	
COC1(CC(=O)Nc2ccccc2B(O)O)CC1	2029933669	KAAJDQOKWCBBPW-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
C[C@H](NC(=O)N1CCC1)c1ccc(B(O)O)cc1	2043144976	AKGVZBMOCLHADE-VIFPVBQESA-N	248.091	-0.157	50	10	BBGE	
CCc1cc(B(O)O)cc(OC)c1OC	2060053870	KCLNAMFKAOPOOU-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
CCc1c(F)ccc(B(O)O)c1[N+](=O)[O-]	2060080859	YKSSUBZEELTVTA-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
N#Cc1ccc(C(F)F)c(C=O)c1B(O)O	2060225373	BEZOGIXFVXYOPM-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CCc1ccc(C#N)c(B(O)O)c1OC	2060261994	GTNGAMCKDHFISA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CN(CCC#N)Cc1cccc(B(O)O)c1	2211133199	YDBXVZDFEAUHMU-UHFFFAOYSA-N	218.065	-0.288	50	10	BBGE	
CNCC(C)(C)Oc1cc(B(O)O)ccn1	2212605920	LVVRVGPRDGDFMC-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C#CCN(c1cc(B(O)O)ccn1)C1CC1	2212615510	QDFWCRXAFOQRSH-UHFFFAOYSA-N	216.049	-0.637	50	10	BBGE	
COC1CC(COc2ncccc2B(O)O)C1	2216471778	YFLBVKCLKOILIE-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(CO)C2)CCCC1	2216881506	KYVUYWROFHJMKS-UHFFFAOYSA-N	245.298	-0.447	50	10	BBGE	
CCN(C[C@@H](C)OC)c1cc(B(O)O)ccn1	2217171298	AFDKKZIEKIXOQN-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
OC[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217178108	RPKHPPRGOGYVNA-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@]23CCOC3)nc1	2217178767	AWJISHFWVHBFLW-ONGXEEELSA-N	234.064	-0.648	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2ncccc2B(O)O)[C@@H]1C	2217179537	MDIVWBKQADFDFX-WEDXCCLWSA-N	236.080	-0.403	50	10	BBGE	
Cc1cnc(N2CC[C@H](CF)C2)cc1B(O)O	2217183189	JIXBEKBTSDDHOE-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
Cc1cnc(N(C)CC[C@@H](C)O)cc1B(O)O	2217183485	LRIJCXNZRCTVRY-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
OC[C@H](CC(F)F)Nc1ncccc1B(O)O	2217185013	XPLXUHKOZAJSRQ-LURJTMIESA-N	246.022	-0.811	50	10	BBGE	
C[C@@H]1NCC[C@H]1COc1ccc(B(O)O)cn1	2217188515	PDXDOYQSJIKRFI-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
NCCC1(COc2ccc(B(O)O)cn2)CC1	2217189458	DIGZZULHMBECJD-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccon1	2217198581	CXAGRFGXZVEZNF-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)C[C@@H]1N	2220062111	FSNPYKVFACEQEH-GWCFXTLKSA-N	248.135	-0.465	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@H]2Nc1cc(B(O)O)ccn1	2223632228	HHANSVCSVRANSG-HLUHBDAQSA-N	248.091	-0.666	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCNC2(CC2)C1	2223647507	YFNJXQIJZLYNNZ-SECBINFHSA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2COC3CC2C3)[nH]c1	2223650084	HZNBSJINULTNCD-YUCVTWSNSA-N	248.091	-0.980	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCC[C@@H]2NCC3)nc1	2223670386	XETXVGKPJDDSEC-CMPLNLGQSA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC2(CC2)CN1	2223673041	VZRWOFIEUOCKBH-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(O)C[C@@H]3C2)CC1	2242811741	YAUGJNWULFJNEC-KCJUWKMLSA-N	225.292	-0.787	50	10	BBGE	
Cc1nscc1CN(C)C(=O)C#CB(O)O	2243356567	JQOZVPAQRUYIME-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1ccsc1B(O)O	2243358667	JAFZVIUBUUXWPL-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C(C)(C)C	2243359737	WYZXBAFJZPTNMR-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
CCCNCCNC(=O)C1(B(O)O)CCC1	2243363216	COXWWNLXOYXFGJ-UHFFFAOYSA-N	228.101	-0.501	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)C1(B(O)O)CC1	2243365174	IVAWTJKJPTXIRT-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)cs1	2243385123	CSVUSQLXBOZWEL-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243391787	OILBYRBCSJGZOF-XGEHTFHBSA-N	226.085	-0.907	50	10	BBGE	
O=C(NCc1cnc[nH]1)[C@H]1C[C@H](B(O)O)C1	2243392063	QZBSDFZFVZLJDA-LJGSYFOKSA-N	223.041	-0.721	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]1C1CCCC1	2243399879	RVJFGLBHOPNGNB-NXEZZACHSA-N	221.065	-0.303	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)cs1	2243420066	MAFBHCLCIVYVSW-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CNC(=O)Nc1ccc(F)c(F)c1B(O)O	2243523348	WYHLUJDKHUSVNQ-UHFFFAOYSA-N	229.979	-0.604	50	10	BBGE	
CCCS(=O)(=O)NC(=O)C1CC(B(O)O)C1	2243752951	OTAVPFBBHJWBLG-UHFFFAOYSA-N	249.097	-0.905	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(B(O)O)s1	2244272825	XQGPMEJQBURSIC-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
NNC(=O)NC[C@]12CCCC[C@@H]1CC(=O)N2	2244391910	UEAMLDXHLIDWFA-GMSGAONNSA-N	226.280	-0.392	50	10	BBGE	
C=C[C@@H](CO)Nc1cc(B(O)O)c(Cl)cn1	2245912560	CGECXGCZHQLGAK-LURJTMIESA-N	242.471	-0.626	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)C1(B(O)O)CCC1	2247721719	HAYQLVFOMBGXCG-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccc(B(O)O)o1	2247742774	UCHOSFGTWQCWKA-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)c[nH]1	2247743937	LKGQZQQWNUZMDV-HTQZYQBOSA-N	234.064	-0.920	50	10	BBGE	
O=C(C#CB(O)O)N(Cc1ccoc1)C1CC1	2247744357	RJHRYVUQJUCFRY-UHFFFAOYSA-N	233.032	-0.214	50	10	BBGE	
O=C(N1CC[C@]2(O)C[C@@H]2C1)C1(B(O)O)CCC1	2247756862	ORRXJLWRKANSMJ-KCJUWKMLSA-N	239.080	-0.633	50	10	BBGE	
C[C@H]1CO[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247808745	MJKDLIUBKIYOKU-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
CCN1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247809284	OQCLJHKNCLVKAB-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
CCN(C[C@H]1CCOC1)C(=O)C1(B(O)O)CC1	2247854515	DOADIIRULBQXPZ-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CC1(F)CC(NC(=O)c2ccoc2B(O)O)C1	2247865922	CMZXTRGXSOXURA-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1NC(=O)C1(B(O)O)CC1	2247871495	CAFLVARBYFMFJO-BRPSZJMVSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCc1ccoc1)c1coc(B(O)O)c1	2247872057	MCZVIPUNFPKGDI-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1coc(B(O)O)c1	2247873055	CWRQDFSZZWCQNG-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
CCn1nccc1CNC(=O)C1(B(O)O)CC1	2247878774	NARBYSVNWPIUKL-UHFFFAOYSA-N	237.068	-0.474	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)ccn1	2247887019	JIEVZINCVRVEIS-IUCAKERBSA-N	231.020	-0.245	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@@H]21)C1CC(B(O)O)C1	2247892593	DEEZJBPDIMJGDX-YSPNUELXSA-N	238.096	-0.894	50	10	BBGE	
CC[C@H](O)[C@@H](CC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896562	ZSANOUNXQXXXMA-RGOKHQFPSA-N	243.112	-0.095	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H](C)O1	2247898302	CCDDGWJVWDDZER-VFCFLDTKSA-N	241.096	-0.079	50	10	BBGE	
C=C1CN(C(=O)Nc2cccc(B(O)O)c2)C1	2247946938	PGXNMDDBGRRARG-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCCCO1	2249412142	VLRAHCLFHZFCKW-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2249419939	NJUONUQDTMDQSO-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCN1	2249946050	QCZYLTYRJVAAMG-KYXWUPHJSA-N	240.112	-0.504	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)CCCCO1	2250006522	MOPLOJROJZFORQ-LLVKDONJSA-N	239.080	-0.533	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2CC[C@H]21	2255454690	XVUQZHRAAGIJMT-WCBMZHEXSA-N	249.075	-0.108	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N(CC1CC1)C1CC1	2255457456	DNFMYOLDCASHOL-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1cc(B(O)O)c[nH]1	2255463234	GMBQOYLOUUULJS-UHFFFAOYSA-N	248.091	-0.387	50	10	BBGE	
O=C(NCCc1ccnnc1)C1(B(O)O)CCC1	2255691737	PMIVYDHMNJWYAA-UHFFFAOYSA-N	249.079	-0.468	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cc(B(O)O)oc1C	2255720345	RQIYMUJJEBYUFZ-GFCCVEGCSA-N	249.075	-0.200	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C=C[C@H]1C2	2255743732	YQLFHPDNZWAGLV-BDAKNGLRSA-N	247.059	-0.250	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1occc1B(O)O	2255746122	RPZDUZLYJCPYOE-PRHODGIISA-N	249.075	-0.121	50	10	BBGE	
C#CC(C)(C)NC(=O)Nc1cccc(B(O)O)c1	2255893947	WLQDWVGNAIKTGM-UHFFFAOYSA-N	246.075	-0.100	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CCC[C@H]21	2258124283	AEGPVXXQRLOFCD-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2258137796	AZHBMGAGIQMISL-GLLZPBPUSA-N	247.059	-0.560	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCN1	2298368452	FIPQIJRQPHKBIL-YWVKMMECSA-N	240.112	-0.502	50	10	BBGE	
C[C@@]12CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@]1(CO)C2	2298369674	BFXNKDFIUZKQQK-OYBPUVFXSA-N	239.080	-0.920	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369800	FWRCUYMBLSNCTB-FXPVBKGRSA-N	241.096	-0.531	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@@H]12	2298370483	ZVZMXMRXXAHQGY-VAPHQMJDSA-N	238.096	-0.955	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@H]2O	2298544414	OWFVQWHUHHMVMJ-WSXYFGSUSA-N	239.080	-0.921	50	10	BBGE	
Cc1cnc2n1CCN([C@H](C)C(=O)NN)CC2	2300066402	SGGOEKOFEWSQEC-SECBINFHSA-N	237.307	-0.572	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCOC1	2301366253	CIKVLMSDVYCXLB-SNVBAGLBSA-N	233.032	-0.594	50	10	BBGE	
CC1(C(=O)N2CC[C@@H](B(O)O)C2)CCOCC1	2303100775	BTDLVBBFDHYDHK-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CCC[C@@H](CC)Cn1cc(B(O)O)cnc1=O	2307899629	CHYJCOYBKSBCBE-SECBINFHSA-N	238.096	-0.251	50	10	BBGE	
CO[C@H](C)CN(C)c1ccc(B(O)O)cc1C#N	2317164121	VTBUMKZEQSQCRA-SECBINFHSA-N	248.091	-0.291	50	10	BBGE	
O=Cc1ccc(NCc2cnco2)cc1B(O)O	2317309999	XVITYSXOAIPAKM-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@H]1CCOC1	82465625	AXQATYOGBXMLEA-YFKPBYRVSA-N	210.180	-0.378	50	10	BBGE	
CC[C@@H](C)N(C)CCn1cc(C(=O)NN)nn1	110573226	HNMRQFFVNSHIAJ-MRVPVSSYSA-N	240.311	-0.388	50	10	BBGE	
Cn1ccnc1CN1CC(=O)OC(=O)C1	111217992	CGCWFGNEWAFISV-UHFFFAOYSA-N	209.205	-0.695	50	10	BBGE	
O=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)CCl	170313840	GBCNPUXUAXHJFK-SSDOTTSWSA-N	243.650	-0.014	50	10	BBGE	
N#C/C(=C/Nc1nc[nH]n1)C(=O)N1CCNCC1	216968323	BNHPWUWRXMXLAF-VURMDHGXSA-N	247.262	-0.944	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCOCC(N)=O	218384164	OIPONMIFFFCIQX-RXMQYKEDSA-N	208.645	-0.768	50	10	BBGE	
CN(N=O)C(=O)NC1[C@H](O)CCC[C@H]1O	238293064	OLFFKBIMDBFGQF-PHDIDXHHSA-N	217.225	-0.417	50	10	BBGE	
OB(O)c1cccnc1-c1cccnc1	238629353	ZSSZPXSABYYEPS-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
NNC(=O)CCCCN1CCOCCC1=O	304579101	NUIAIUYUXORFOO-UHFFFAOYSA-N	229.280	-0.605	50	10	BBGE	
O=C1CN[C@@H]2C[C@@H](Br)CN[C@H]2N1	307411069	KBMVEVGFRYNIEP-XAHCXIQSSA-N	234.097	-0.843	50	10	BBGE	
N#C[C@@H](N)C(=O)NN=Cc1ccccc1	379682951	MFVMGWDYQRKDGD-SECBINFHSA-N	202.217	-0.012	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(O)(C2CC2)C1	384132081	LLKVAGDDOQYVPR-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C(N3CCCC3)[C@H]2C1	384224788	FBOIOYSPIBBYND-UWVGGRQHSA-N	238.335	-0.608	50	10	BBGE	
CCOC(=O)CNC(=O)NN=C(C)C#N	394719264	DBIGPPSLFXHHMZ-UHFFFAOYSA-N	212.209	-0.252	50	10	BBGE	
CSSCCNC(=O)CNC(=O)CN	397744038	XSMHAXQBBVKFEH-UHFFFAOYSA-N	237.350	-0.811	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1CCOC1	398855284	UCPVXNQOLKPJIS-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCC(=O)NN)CO1	401367503	BAQMDGWKSXHBJM-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C(=O)NN)CS1	606286693	SMFMYDMTAKXTDR-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@H]2NCCN[C@H]21	685990267	PBRPDECAAVQWHZ-BBBLOLIVSA-N	226.324	-0.691	50	10	BBGE	
N#CC1(O)CCN([C@@H]2CCNC2=O)CC1	687805286	FSNWZVMAMZONLM-MRVPVSSYSA-N	209.249	-0.775	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)[C@H](C)C(=O)NN	688173276	UACAZOJFMRZGSG-KXUCPTDWSA-N	229.324	-0.032	50	10	BBGE	
CCN1CC[C@H](N(C)[C@H](COC)C(=O)NN)C1	689050413	YXASZAMYBRRNGC-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689157471	DBZDFAKBVSQJNS-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H](O)C1CC1	690157106	WJWAKJNQWMVCTP-QXFUBDJGSA-N	229.324	-0.296	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CO1	700558305	HYHYOHXZXBRQHM-VIFPVBQESA-N	235.243	-0.173	50	10	BBGE	
CCCO[C@H]1CCN([C@@H](C)C(=O)NN)C1	701701131	OLJSFAOVLRUJME-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1ccccc1B(O)O	703517502	MUVMRSISRZNVDW-JOYOIKCWSA-N	236.076	-0.082	50	10	BBGE	
OB(O)c1ccn(CCc2ccncc2)n1	703651976	UUXFLDZVLYDSDA-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
O=C(NC1CC1)N1Cc2ccc(B(O)O)cc2C1	708002439	JGZAOGRZCUMRRZ-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	709913663	PCFKVEQYKJVTEW-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
COC[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)C1	714259831	LAZMPMASSBSPSA-OCAPTIKFSA-N	213.233	-0.203	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NCC#CCO	717529439	AKGNMPQNPLAUGG-MRVPVSSYSA-N	239.724	-0.224	50	10	BBGE	
Cn1nc(N)cc1C(=O)N1CCC(O)(C#N)CC1	725163632	MQVOGIQZPNRGJA-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	780469569	BLTWYZRAVNCKHS-SZEHBUNVSA-N	241.291	-0.880	50	10	BBGE	
CC(=O)NNC(=O)Nc1nccc(N(C)C)n1	797641232	NOORBBDHSGHYTO-UHFFFAOYSA-N	238.251	-0.285	50	10	BBGE	
CN(CCCO)CC(=O)NNC(=O)C(C)(C)C	799364745	LVMZXEJBMBGQAC-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
O=C(CO)NN=Cc1cnn2c1CCC2	853329607	MBJADUBQVQHECT-UHFFFAOYSA-N	208.221	-0.728	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NNC(=O)N(C)C	906450171	HQCFEAYIOSKQPJ-XLPZGREQSA-N	229.280	-0.040	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)C1CC1	1116001500	BHQHFRBNSAEQPG-UHFFFAOYSA-N	208.221	-0.490	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnc[nH]2)n1	1161285732	URLBFWACVAUYCJ-UHFFFAOYSA-N	206.209	-0.100	50	10	BBGE	
CC(=O)N(C)CC(=O)NNc1nnc(C)n1C	1329531603	VLJTUTHWHTZIGF-UHFFFAOYSA-N	240.267	-0.955	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)[C@@H]1COCCO1	1465562958	CRQONGBDARSLPB-NWALNABHSA-N	240.259	-0.319	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccncc1	1587046065	AKNAEFCKLZNQHY-NSHDSACASA-N	235.243	-0.220	50	10	BBGE	
C=CCNC(=S)NNC(=O)C[C@@](C)(O)C=C	1587159060	JIEFVOWYHFMDNI-JTQLQIEISA-N	243.332	-0.005	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NCCCO)cn1	1625259459	NKSNUKAFNRHSOY-YHYXMXQVSA-N	234.259	-0.174	50	10	BBGE	
NC(=O)CCC(=O)NNc1ccccn1	1633241015	JNZJRAQSIBXJDU-UHFFFAOYSA-N	208.221	-0.210	50	10	BBGE	
N=C(NN)NC[C@@H]1C[C@H]1Br	1877372628	NQCMTAIVSVMTFD-IUYQGCFVSA-N	207.075	-0.243	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@@H](Br)C1	1881354012	RCCCHWLYMRQEKO-ZXZARUISSA-N	236.069	-0.141	50	10	BBGE	
O[C@@H]1[C@H]2C[C@@H](CN(CCCl)C2)[C@H]1O	1882456588	RSIKMTTUSSSWHV-RBXMUDONSA-N	205.685	-0.101	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)NNC(N)=S	1882997943	RTURWBSJCARUHD-WHFBIAKZSA-N	203.267	-0.867	50	10	BBGE	
Cl[C@H]1C[C@H]1CNCCn1ncnn1	1883555113	XFVDWWXXWOFTJT-BQBZGAKWSA-N	201.661	-0.110	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H]2Cl)COC1	1883645830	SLSFHFYORQBZRA-WDSKDSINSA-N	204.657	-0.542	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	1884452756	SBOPDZRXPSQYPR-JKUQZMGJSA-N	215.278	-0.724	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCF)CCF	1888845489	KPGAUAOPOSJKFS-ZETCQYMHSA-N	209.240	-0.004	50	10	BBGE	
C=C(CN(CC)[C@@H](C)COC)B(O)O	1895149166	OFXYHNYEEPAIHN-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@@](C)(O)C1	1901104457	FUYQNNOTJAIVRF-FJXKBIBVSA-N	221.684	-0.042	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NN(C)S(C)(=O)=O)CCN1	1901373079	GFXJNFFNFFPGQC-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CCC#CC(=O)Nc1ccc(B(O)O)cc1	1902387929	IWLPXBLYWKJBMA-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@@H]1CCO1	1902638684	GAKRASQIMCZIRZ-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2OCC[C@@H]2C1=O	1907022696	DDUJKKHSKRBFFG-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2C[C@@H]2F)c1B(O)O	1908966688	YGRKLAGDGFILHW-YUMQZZPRSA-N	239.059	-0.741	50	10	BBGE	
C[C@@H](N=S(C)(C)=O)[C@@H](C)C(=O)NN	1913513018	BWMANHDOODBQMC-PHDIDXHHSA-N	207.299	-0.272	50	10	BBGE	
O=C(NNCCO)c1ccc(Cl)nn1	1929835828	YNPDHPSRHCAJCZ-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
NNC(=O)CN1CCCC[C@@]12CCOC2	1930411252	CFLCQBYYENHENQ-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
Cn1ncnc1[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1934428702	UYDUQKSBRKFUBC-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
C[C@H](c1cscn1)N(C)C(=O)C(=O)NN	1934612014	ALYNXJJOGFFFJH-RXMQYKEDSA-N	228.277	-0.348	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1934788141	STMVRIMZIKAZIL-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)COCCN1CCC2(CC1)CC2	1936532157	VPHKFZWUTNHQQL-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2OCC[C@H]2C1	1937815986	IXDSRRBFWWWMHF-RNJXMRFFSA-N	227.264	-0.950	50	10	BBGE	
CO[C@@H]1CN(CCOCC(=O)NN)CC[C@H]1C	1941773928	DUXUEPXFFROQTF-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@@H](O)[C@H]2C1)C(=O)NN	1945657467	CRPIIEWQWBXPDY-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H](CCO)CNS(=O)(=O)CCl	1953949262	HSUAAXPLHATKRP-LURJTMIESA-N	231.701	-0.501	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@](C)(O)CO	1954239664	OUOALYYEWANZST-XPUUQOCRSA-N	209.673	-0.137	50	10	BBGE	
CC(=O)NCCN(C)C[C@H](O)CCl	1954820318	FXHXYGSKRQWQOC-MRVPVSSYSA-N	208.689	-0.346	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H](O)C1	1956714771	YDFJCNIHOCNKFV-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(CCCl)C2)N1	1956801362	DBSXAYOVGNOIAI-QMMMGPOBSA-N	217.656	-0.491	50	10	BBGE	
O=C([C@H]1CC2(CC2)CO1)N1CC[C@H](B(O)O)C1	1972412644	KFUOWYIVDTWRQZ-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
C=CCCCn1cc(B(O)O)ccc1=O	1975100515	FMMFJHSVWDGLHZ-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1976032095	PXHSUWNTNQTPDH-XPUUQOCRSA-N	220.037	-0.644	50	10	BBGE	
CN(C)C1(C)CN(CC(F)(F)C(=O)NN)C1	1976833369	PAOLLOFIBWCHRC-UHFFFAOYSA-N	236.266	-0.753	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC2(CC2)C1	1980206279	XNFMNLOWHSZILW-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H](F)C2)n1	1981446321	WXPSFJNOLKYSHU-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
OB(O)c1cncnc1Sc1ncccn1	1981464920	IFCFREBKCCFICX-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CC1CC1	1981468699	HBZDEVGIVYDWBK-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cc2F)C1	1981468989	KSVTVIIQJMEMHD-ZETCQYMHSA-N	224.044	-0.253	50	10	BBGE	
CN(CCOCC(=O)NN)C1CC(CF)C1	1982448074	HEMGSPVBDPURNX-UHFFFAOYSA-N	233.287	-0.327	50	10	BBGE	
COC[C@@]1(F)CCN(C[C@H](C)C(=O)NN)C1	1984643698	BOXOBSJGRPJJTN-WCBMZHEXSA-N	233.287	-0.327	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H](C)OC	1984686801	KCOOSZAUJOHLRY-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
C[C@H]1[C@@H](N(C)CC(=O)NN)C2CCN1CC2	1989762365	WDPNEIZOFOOIHT-GZMMTYOYSA-N	226.324	-0.609	50	10	BBGE	
CC1CN(C[C@H]2CCC[C@H](C(=O)NN)O2)C1	1990165420	YKMBNNHWCWPTPC-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cncs1	1991330021	XATQVPZYYGVUTC-ZETCQYMHSA-N	238.077	-0.026	50	10	BBGE	
C[C@]1(NC(=O)[C@@H]2C[C@H]2Cl)CCC(=O)NC1=O	1991687403	KGQWFRIDFXHFHL-DGAHNEANSA-N	244.678	-0.075	50	10	BBGE	
O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)CC[C@@H]1O	1991691163	ARFMEBQJAZNNON-XUTVFYLZSA-N	247.678	-0.092	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1991705086	AGRUDHLXJXWBSI-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
CC(C)(CCN1C[C@H](O)C1(C)C)C(=O)NN	1993463174	BXRKBFULVHUMOA-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@]12C[C@](C(=O)NN)(CO1)C2)C1CC1	1993891999	XXKRCUVKZPZPDO-XYPYZODXSA-N	225.292	-0.380	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C)[C@H]2C1	1995065591	UJWSERJQVYGNNL-AXTSPUMRSA-N	227.308	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2OCC[C@@H]2O1	1999557703	FWIGRXLQNMQQAM-XFWSIPNHSA-N	243.307	-0.757	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](OCCO)C1	2001032686	ZKKHLTCVEVDHRE-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	2002914148	FHNFIGKBARHVMW-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1(CO)CCCC1	2003914820	ZRHVRPVPFORJLR-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1nnc2n1CCN(C[C@@H](C)C(=O)NN)C2	2003922924	OCFUOKXENBNQMC-SSDOTTSWSA-N	238.295	-0.972	50	10	BBGE	
CCc1nnc2n1CCN([C@@H](C)C(=O)NN)C2	2004030761	HNWWVZDCYCHNIH-ZETCQYMHSA-N	238.295	-0.966	50	10	BBGE	
CO[C@H](C)CCN(C)c1ncccc1B(O)O	2009689736	MUNZETCGZYGBOD-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
CO[C@@H](C)CCN(C)c1ncccc1B(O)O	2009689737	MUNZETCGZYGBOD-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
CC1(C)OCCO[C@H]1COCCCC(=O)NN	2013877152	HPXDDAWUFBHEBE-VIFPVBQESA-N	246.307	-0.033	50	10	BBGE	
CCN1CCN(CC(=O)NNC(C)=O)C[C@H]1C	2019212991	UTSZIQRKCHTHAV-SECBINFHSA-N	242.323	-0.820	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2020057135	RVEAURBGWVPCNL-LADJIXMOSA-N	235.092	-0.037	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@@]2(CO)C1)C(=O)NN	2021655197	MSKBFRAUGQBKTR-SKDRFNHKSA-N	241.335	-0.293	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC=C(F)C1	2022195991	FBTZITJWXTTYBI-UHFFFAOYSA-N	235.023	-0.324	50	10	BBGE	
CCN(CCF)C(=O)c1ccccc1B(O)O	2022196983	VSWWAUOQXYILCF-UHFFFAOYSA-N	239.055	-0.202	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1Cc2cncnc2C1	2025622362	SREUKSZZLKRVEC-VXNVDRBHSA-N	233.275	-0.582	50	10	BBGE	
Cc1ncnc(Cn2ccc(B(O)O)n2)c1C	2025898204	QYBGEWYNTDABGG-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
O=C(CN1CCN[C@H]2C[C@H]21)NNc1ccccn1	2034678969	NIXADUYOAVDQOS-VHSXEESVSA-N	247.302	-0.429	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCC[C@@H]2C1	2052467412	QJIRTJANXNVSOJ-NXEZZACHSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3COC[C@@H]32)nc1	2052467757	UTSLNJQRMDNCKL-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1[C@H]2OCC[C@@H]21	2056374513	HHUBRVYBYZKVMA-ONOSFVFSSA-N	247.059	-0.660	50	10	BBGE	
N#Cc1cc(C(F)F)cc(B(O)O)c1C=O	2060225348	ANHWYPXFLFZRBW-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
COc1c(C#N)cc(B(O)O)cc1[N+](=O)[O-]	2060286840	GEHZQOLXTWNIQY-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2nc[nH]c12	2077439534	VONUTWBWDQQBGV-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)CC(=O)NN	2209791489	WBDNVRDGJKAAIH-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
Cc1nnc(N2CCC(O)(C#N)CC2)n1C	2210835538	RBJCIXMQEIDMSQ-UHFFFAOYSA-N	221.264	-0.022	50	10	BBGE	
CCOc1ncc(CNC(=O)C(=O)NN)s1	2212565004	ONVYKEDCIYUCMJ-UHFFFAOYSA-N	244.276	-0.852	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncccc2B(O)O)CO1	2212601236	KZGDGBOLMCXTIC-SFYZADRCSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC1(F)F	2212610894	QSBVRKHGBAGTDA-ZCFIWIBFSA-N	228.007	-0.172	50	10	BBGE	
N[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2212612303	JRBUNSYSOSPITH-IUCAKERBSA-N	221.069	-0.947	50	10	BBGE	
Cc1cnc(OC[C@H]2CCNC2)cc1B(O)O	2217168924	ZGMNZXXDXXWEAI-VIFPVBQESA-N	236.080	-0.942	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)C[C@@H](C)O	2217171563	CCYCYJPZSMQYKV-DTWKUNHWSA-N	238.096	-0.420	50	10	BBGE	
C#CCN(CC#CC)c1cc(B(O)O)ccn1	2217176436	WHLMOZUGJBXQER-UHFFFAOYSA-N	228.060	-0.776	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCNC2)c1	2217178259	TVGXVYQJPCZZRA-SECBINFHSA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCN2)c1F	2217179712	BKSKYSUSHGVMNK-ZETCQYMHSA-N	239.059	-0.936	50	10	BBGE	
CCn1cc(Oc2ncc(B(O)O)cn2)cn1	2217186184	GYJSPVFJXODOAR-UHFFFAOYSA-N	234.024	-0.835	50	10	BBGE	
CC(C)C[C@H](O)CNc1ccc(B(O)O)cn1	2217197988	UQISIBYCQLMQGA-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncccc2B(O)O)[C@@H]1O	2217197997	UVHHLUYTYHFXOW-BDAKNGLRSA-N	236.080	-0.667	50	10	BBGE	
CCC[C@]1(Nc2ccc(B(O)O)cn2)CCNC1	2223626820	JOINFGHXSSQZSE-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(N2CCC3(COC3)C2)cc1B(O)O	2223639875	HMTMEWLQRMVUOY-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
Cc1cnc(NC[C@@H]2NC[C@@H]3C[C@@H]32)cc1B(O)O	2223641591	VACDFBZCMCZHDJ-QXEWZRGKSA-N	247.107	-0.910	50	10	BBGE	
CCCN1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2223674524	QGNFPXXGGINSNQ-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2OCCC[C@H]21	2223675282	QPTMLUYJECGMKJ-GDPRMGEGSA-N	248.091	-0.259	50	10	BBGE	
CC(C)(O)CNS(=O)(=O)N1CC(Cl)C1	2241338053	FXUPKSCFHGELMJ-UHFFFAOYSA-N	242.728	-0.485	50	10	BBGE	
CS(C)(=O)=NC(=O)[C@H]1C[C@@H]1B(O)O	2241496731	VWWCUWICERHTHH-WHFBIAKZSA-N	205.044	-0.897	50	10	BBGE	
O=C1[C@H]2CC[C@H]2C(=O)N1C[C@H](O)CCl	2241503979	IUQJQMQJZKUEMB-QYNIQEEDSA-N	217.652	-0.019	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(CC2)C1	2243347541	NJLMBYCOURNNBG-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)o2)CC1	2243357191	SPWGFYSLXFJVGU-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCO[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2243382522	PBTNNNLFAUHXFO-KVEIKIFDSA-N	225.053	-0.857	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243396102	HIVLLZOHHSUOCR-RZEHBIPHSA-N	221.065	-0.233	50	10	BBGE	
CC(C)(C)N(CCC#N)C(=O)C#CB(O)O	2243400599	DRXUQFHPESOPON-UHFFFAOYSA-N	222.053	-0.457	50	10	BBGE	
N[C@@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243403836	DNMPUBWROXWWGJ-GEPGNKONSA-N	226.085	-0.765	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1sncc1B(O)O	2243415251	QTEPPUKZZBBDBB-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H](C(F)F)C1	2243420337	QURKSWXGTGGKQA-VQVTYTSYSA-N	233.023	-0.037	50	10	BBGE	
C[C@]1(CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427108	QNHHUCHGQJAZSU-NQMVMOMDSA-N	227.069	-0.777	50	10	BBGE	
Cc1c(CO)cccc1NC(=O)C(=O)NN	2243593819	NEKTYERDBNAKJS-UHFFFAOYSA-N	223.232	-0.584	50	10	BBGE	
C[C@@H](Oc1ncc(F)cc1B(O)O)C(F)F	2244242125	QFRRMQLKTONIGX-SCSAIBSYSA-N	234.970	-0.067	50	10	BBGE	
O=C(NCC1CCCC1)c1ccc(B(O)O)o1	2247740132	GLRRWMZSLSKRGF-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	2247747210	KLHRSFNOOVAXEZ-BWZBUEFSSA-N	243.018	-0.448	50	10	BBGE	
O=C(NCCC1CC1)c1ncccc1B(O)O	2247768972	BODHXKMUOURWAP-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
CCC[C@@H](CC)NC(=O)c1n[nH]cc1B(O)O	2247782309	TUMBSCNHAVNISC-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
CO[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247790842	JTGBAXKTTYKOEP-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
C=C=CCCNC(=O)c1cc(C)c(B(O)O)o1	2247791945	QDULDCSHHMDIBO-UHFFFAOYSA-N	235.048	-0.271	50	10	BBGE	
CCC[C@H](CCO)NC(=O)C1CC(B(O)O)C1	2247801288	ZBNVLPYJYUBNBN-UDNWOFFPSA-N	243.112	-0.093	50	10	BBGE	
CC(C)(C)CN(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2247804395	GYZKZNKVEAELSZ-DTWKUNHWSA-N	243.112	-0.284	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247808016	JREOXXDRZUXZBI-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CCO1	2247808880	MXLSTJOYIDBHBB-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
C=C1CC(N(C)C(=O)c2ccc(B(O)O)o2)C1	2247848653	ONYLKZZIQMOHGH-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247852452	USZGDTITBVMAMQ-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
CCC1(CNC(=O)c2c[nH]nc2B(O)O)CC1	2247859040	JXBBLXVKXRFQDR-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC#CCNC(=O)c1ccc(C)c(B(O)O)c1	2247874475	QTEDVKCHHBUNHQ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247894121	CNNZIKNVODLESL-AOOOYVTPSA-N	240.112	-0.597	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896978	MKMPHPDILCQLJQ-OPRDCNLKSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H]1COC2(CCC2)C1)[C@@H]1C[C@H]1B(O)O	2247898162	AWHIIDIZPJNGGI-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
CCC[C@@H](CC)NC(=O)c1c[nH]nc1B(O)O	2247905669	VPFLFBBCMDMGRS-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1CCC1	2248967613	AVXCKVSWPBMRSD-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)cn1	2249307141	FWKFLQZMMBZBLQ-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2251001727	KIXSWNXBWBLOBF-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@]2(C)C1	2255444153	IPLPEVZUTKGOCU-PELKAZGASA-N	249.075	-0.250	50	10	BBGE	
CCc1ncncc1CNC(=O)C1(B(O)O)CC1	2255483767	GMNRZOPCLRLWKB-UHFFFAOYSA-N	249.079	-0.338	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1ncncc1B(O)O	2255493608	ATTNFGYICFMKGS-MRVPVSSYSA-N	249.079	-0.759	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1cncc(B(O)O)c1	2255717796	ONTTVBLCCLQISP-PRHODGIISA-N	248.091	-0.463	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cccc(B(O)O)c1C	2255735699	YJBBLGGPVLGEDJ-VIFPVBQESA-N	245.087	-0.184	50	10	BBGE	
N#CCC1(CNC(=O)c2occc2B(O)O)CC1	2255746664	WSRVAQFUDPPDFM-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
CCC1CC(NC(=O)c2nccnc2B(O)O)C1	2256062640	SFZALRRPOHQVMM-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CC2)c1cc(B(O)O)n[nH]1	2260549699	DNWHKCIHXIAXOS-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C2	2298375519	NJBGGXHVCFBDQL-AQWCXSTCSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@H]1O	2298376261	OYXGRZVBWMLLMS-VAPHQMJDSA-N	241.096	-0.485	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C(=O)O	2298463662	RPOXKIKTYSVKAU-UCROKIRRSA-N	241.052	-0.925	50	10	BBGE	
CN1CCN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1=O	2300373412	RGVQTNCYEFBSEI-BDAKNGLRSA-N	240.307	-0.240	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@H]1C(N)=O	2300625759	WYWYMODYQOAKSL-VIFPVBQESA-N	242.323	-0.514	50	10	BBGE	
C=C(C)C(=O)Nc1ccc(OC)c(B(O)O)c1	2301526626	KLQRTACEOJBNRU-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303111204	HBRCQBJJWTZMEO-ONGXEEELSA-N	240.112	-0.454	50	10	BBGE	
CC[C@H](O)CN(C)c1cc(B(O)O)c(F)cn1	2303846998	AWDWBMCPEDEYRJ-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
N#CC1=CCN([C@]2(C(=O)O)COC[C@H]2N)CC1	2305250608	JTGPIQOJKHPEGS-MWLCHTKSSA-N	237.259	-0.677	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1ccc(B(O)O)cn1	2312612387	UTVFMQHPCBXKSI-UUTMEEIUSA-N	247.107	-0.701	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccc(C)c(B(O)O)c1	2319328281	DTCFORNFJPFEFE-NSHDSACASA-N	245.087	-0.133	50	10	BBGE	
C#C[C@@H]1N(c2cc(B(O)O)c(F)cn2)CC1(C)C	2320795735	YHMUXXINSUSIHN-JTQLQIEISA-N	248.066	-0.252	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1F	2320795896	AWQPRALSZATCHI-RFOGZPIASA-N	248.066	-0.255	50	10	BBGE	
CN(C)c1cc(SCC(=O)NN)ncn1	3124152	IDQHYABTIQMMSD-UHFFFAOYSA-N	227.293	-0.375	50	10	BBGE	
CN(C)CCCN1C[C@@H](N=C=O)CC1=O	19732346	RWBCICHIBQZGEK-VIFPVBQESA-N	211.265	-0.125	50	10	BBGE	
CC[C@H](N)C(=O)N[C@@H](CCl)C(=O)O	26176156	HXERLZWXXHEQTL-WHFBIAKZSA-N	208.645	-0.468	50	10	BBGE	
Cc1noc(CNC(=O)NC(=O)CCl)n1	45014345	QXDKFDACDUJCOB-UHFFFAOYSA-N	232.627	-0.057	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@H]1CO	70596894	PLARHYCENBXFIQ-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](CO)C1	82465813	ZBPJTGIGICBNAK-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCN(CC)CCn1cc(C(=O)NN)nn1	82466088	IQALENHIKZHQCR-UHFFFAOYSA-N	226.284	-0.777	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)C1CCCC1	82470086	CTQUMUYRAFBRBW-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NN	82472684	ZLQNESHSGNFJHO-BYPYZUCNSA-N	243.292	-0.623	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN(C)C	82544088	ZGPKIHXFHLXNOC-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCOC1	82545671	DVEOBVOTBJUQIU-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCNC(=O)C1(C)C	93072272	DLCOMMSENCAHJE-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
NC[C@H]1CCN([C@@H](C(=O)NN)c2ccccc2)C1	110577656	VOHTYEXHVIUELI-ZYHUDNBSSA-N	248.330	-0.002	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\NCCCNC=O	217183504	JBGXCLIDGOAZTB-YFHOEESVSA-N	238.291	-0.356	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCCCO1	223773910	IOZZBOMDOPASJP-ZETCQYMHSA-N	215.253	-0.948	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCN1CCCC1	232419425	FIFWGCOVWUTLTK-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
O=S(=O)(CCCCl)N1CC(CO)C1	236484668	FBKPPMMBESDEDR-UHFFFAOYSA-N	227.713	-0.131	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccncc2=O)c1	302603400	LNDRAIFJGUQROB-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@@H]1/C(=N\NC(N)=O)CCS1(=O)=O	306842933	CCNFUSUKAABAJU-NHUTWFAYSA-N	205.239	-0.782	50	10	BBGE	
C/C(CC/C=N/NC(N)=O)=N\NC(N)=O	308670687	ANHPQXIDBJJKHX-ZVSIBQGLSA-N	214.229	-0.535	50	10	BBGE	
COC[C@@H](C)CN(C)[C@H](C)CC(=O)NN	309077913	MVAXWVNCYXGINW-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](CO)CN=c1[nH]c(CCl)nc(=N)[nH]1	389640694	QGCODWRYGONKCH-YFKPBYRVSA-N	231.687	-0.515	50	10	BBGE	
NNC(=O)C(=O)NC1CCC(F)(F)CC1	390350550	IYVODOXTULPQJR-UHFFFAOYSA-N	221.207	-0.330	50	10	BBGE	
CN1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NN	394363332	GEOZTBXWSKCVKX-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
N#Cc1c(B(O)O)c(CO)cc2sccc12	396231220	ZTRMVVFIOWLDSX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1c(CO)cc2sccc2c1B(O)O	396243889	LFWXOXGFOHFVJY-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1c(B(O)O)cc2sccc2c1O	396390102	XCNHHEKTEMJCCI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC[S@](C)=O	399890861	HMMDDUXHUIEGRD-GLEZIHRCSA-N	235.353	-0.545	50	10	BBGE	
C[C@@H]1C[C@H](N(C)Cc2ccccc2B(O)O)CO1	401466266	MAWFPUUEXQILKA-PWSUYJOCSA-N	249.119	-0.024	50	10	BBGE	
C[S@](=O)Nc1ccc(B(O)O)c(F)c1	404927928	KUFKAJLDUAPRSJ-AWEZNQCLSA-N	217.030	-0.789	50	10	BBGE	
CNC(=O)Nc1cc(Cl)ccc1B(O)O	405155603	VZPHCVSBFVSBJM-UHFFFAOYSA-N	228.444	-0.229	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NCc1cccc(B(O)O)c1	585025536	WMORNFLMGIMYIT-VHSXEESVSA-N	237.108	-0.527	50	10	BBGE	
OB(O)c1ccnc([C@@H]2CCCNC2)c1	607718075	BHOMFDQUJBTWBM-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](C#N)C1	693988251	WYXREUSFDKSPEA-IUCAKERBSA-N	210.281	-0.154	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2CC1(CO)C2	694583810	VCOMDWQBGZUGPM-YUCVTWSNSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@](C)(OC)C(=O)NNC(N)=S	700865663	LKWAQWQZXKQBSP-SSDOTTSWSA-N	205.283	-0.334	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCN(CCCl)C1	705528389	ZGNIYDNIAOWXTN-SSDOTTSWSA-N	226.729	-0.151	50	10	BBGE	
NNC(=O)CCCN1CC(n2ccnc2)C1	707388614	MNCWCUXXKXATNR-UHFFFAOYSA-N	223.280	-0.490	50	10	BBGE	
C[C@@]1(CO)CCCN(CC(=O)NN)C1	708288460	XNBKYZUBYLQSLJ-SECBINFHSA-N	201.270	-0.929	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)[C@H](C)C(=O)NN	724129355	WDDRSIJVZDTLCM-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(C)=O	918689198	RQAJQFWKKSOWGE-UHFFFAOYSA-N	201.226	-0.930	50	10	BBGE	
O=C1NCCC[C@H]1C(=O)NN=Cc1ccc[nH]1	1084384414	JWAVIWOASRKGON-SECBINFHSA-N	234.259	-0.009	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C1=C[S@](=O)CCC1	1163323861	WELDZGCKZQPYFN-ZKANADHPSA-N	246.332	-0.243	50	10	BBGE	
CC(=O)NNC(=O)CCN1CC[C@@H](F)C1	1440721459	IIFYXABZXUACMW-MRVPVSSYSA-N	217.244	-0.412	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CC1(F)F	1450395026	BVDBFSQSFGSBKZ-NTSWFWBYSA-N	234.202	-0.032	50	10	BBGE	
O=C(NNC(=O)c1ccc[nH]1)c1cnnc(O)c1	1540425393	IQJPVGJBIICZOZ-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cc(=O)cc[nH]1	1583870520	RGDKVMAYFAHYLX-UHFFFAOYSA-N	238.247	-0.273	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cncc(C=O)c1	1627016663	OERYRCZAZJZYJD-UHFFFAOYSA-N	236.231	-0.190	50	10	BBGE	
NC(=O)CONC(=O)[C@H]1C[C@@H]1Br	1881367143	UYSHOIRSIBFNSI-IMJSIDKUSA-N	237.053	-0.697	50	10	BBGE	
C[C@@H](SC1CNC1)[C@H](C)C(=O)NN	1882121025	NZKJEADAWIKQOV-NTSWFWBYSA-N	203.311	-0.294	50	10	BBGE	
CN(CCN(C)S(C)(=O)=O)C(=O)F	1882786749	DPAHSSRAOFOTPE-UHFFFAOYSA-N	212.246	-0.101	50	10	BBGE	
C#CCNC(=O)CNC(=O)OCCl	1882884599	LZORJCUJMVIULT-UHFFFAOYSA-N	204.613	-0.342	50	10	BBGE	
O=C(NCC[C@H](O)CO)[C@H]1C[C@@H]1Cl	1883637858	BKKSSTPYAFXWAH-ACZMJKKPSA-N	207.657	-0.527	50	10	BBGE	
O=C(CCCl)N[C@]1(CO)C[C@H](O)C1	1883669267	ARHRCRIRMXLTGK-WRXNHJIOSA-N	207.657	-0.383	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@]1(O)CCNC1	1886139126	SEVNCWKBTWKLPK-IEIXJENWSA-N	218.684	-0.403	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@@H]1CC[C@@H]1N	1887485309	HEIQWBXLWKBXGH-OOJXKGFFSA-N	215.322	-0.165	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1893453827	RCKPTJFXNKKUMI-PRJMDXOYSA-N	220.700	-0.348	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NCC1CC(Cl)C1	1893508960	HPLKXIZCWITQPO-FACXLHOTSA-N	220.700	-0.172	50	10	BBGE	
C#CCCOC(=O)Nc1ncc(B(O)O)s1	1900784856	MENKUDHYZHCSJC-UHFFFAOYSA-N	240.049	-0.605	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(C)C=CCN1	1901377048	JLBMUIPAPNOABC-VIFPVBQESA-N	247.320	-0.783	50	10	BBGE	
C[C@H](COC[C@H]1N(C)CC1(C)C)C(=O)NN	1901425171	ISIZSIZNWRBAGD-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
C#CCCOCC(=O)N1CC[C@H](B(O)O)C1	1902522879	UYWBYJCZDZKQDH-VIFPVBQESA-N	225.053	-0.898	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1[C@H]2OCC[C@H]12	1909497926	RQXADCNWVJJOGA-MRTMQBJTSA-N	213.281	-0.667	50	10	BBGE	
CN(C[C@H](Cl)C(=O)O)S(C)(=O)=O	1913502731	KFPZIXGQPOLSHL-BYPYZUCNSA-N	215.658	-0.430	50	10	BBGE	
CC(C)[S@](C)(=O)=NCCC(=O)NN	1913903936	OMUOYDBFRVLQQY-ZDUSSCGKSA-N	207.299	-0.127	50	10	BBGE	
CCCN(Cc1ccc(B(O)O)cc1)C1COC1	1915677771	XCLQZVLVCLOYDT-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
Cn1nnnc1CN1CC=C(C#N)CC1	1917051148	AMYYYPYYIZHEHW-UHFFFAOYSA-N	204.237	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H](O)C1	1927816735	QXAIDFWTHZJSEV-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
CN1C[C@H](NCCn2cncn2)[C@H](Cl)C1	1928755939	QBKVNCGRIPIKDV-BDAKNGLRSA-N	229.715	-0.211	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCOC1	1931260131	GCJRWMADPDQYBL-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CNC1(C(=O)NN(C)C)CC(OC)C1	1931314029	XBXFUIAIGCPFFQ-UHFFFAOYSA-N	201.270	-0.654	50	10	BBGE	
CC1(CO)CN(CC2(C(=O)NN)CC2)C1	1935358923	PEOJETKOTBXUJB-UHFFFAOYSA-N	213.281	-0.929	50	10	BBGE	
CC[C@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092658	YLGKIXUKWDYKDC-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
CSC1CN(Cc2cc(C(=O)NN)no2)C1	1939042669	PVWCVKAOZOJENW-UHFFFAOYSA-N	242.304	-0.175	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@@]2(C1)CC2(F)F	1939488421	JFLCZLVJKVGDJY-HTRCEHHLSA-N	233.023	-0.060	50	10	BBGE	
Cc1ncoc1C(=O)N1CC[C@@H](B(O)O)C1	1951320372	IUSISSKWOIRLCK-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@@H](O)C1	1954540579	ACADZWSLISIWSE-BIIVOSGPSA-N	204.657	-0.455	50	10	BBGE	
COC[C@@H](C)Oc1nc(B(O)O)cs1	1956953471	AYRBZSQBIZYWIA-RXMQYKEDSA-N	217.055	-0.763	50	10	BBGE	
OB(O)c1csc(S[C@H]2CCOC2)n1	1956954674	CNHFJUVUTKGTCT-YFKPBYRVSA-N	231.107	-0.296	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CCl	1957175547	QPCMMUYMBOXYCI-PHDIDXHHSA-N	240.712	-0.244	50	10	BBGE	
O=C(CCl)NCC1[C@H]2CS(=O)(=O)C[C@H]12	1957245721	NYXXULDMDDXMQU-RNFRBKRXSA-N	237.708	-0.368	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@H](C)C(=O)NN)C2	1960286397	IPGULISWSQGPPI-NQMVMOMDSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)CCO1	1961718098	KAQJLLFGRKNWKF-ZCFIWIBFSA-N	228.082	-0.952	50	10	BBGE	
C[C@@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	1975100155	AFBRIORFLZVXES-HTQZYQBOSA-N	207.038	-0.816	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(B(O)O)cn1	1976032342	UHTHYVXCMVCCIA-UHFFFAOYSA-N	223.041	-0.755	50	10	BBGE	
CC1CC(CO)(N(C)[C@@H](C)CC(=O)NN)C1	1978670141	QNQSYYGTSYDWAV-YUCVTWSNSA-N	229.324	-0.152	50	10	BBGE	
CC[C@]12C[C@@H]1CN([C@H](COC)C(=O)NN)C2	1979831129	LXRFGNBLUFLJBD-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CS[C@@H]1CCN(c2ncncc2B(O)O)C1	1981414935	YAVMOAPBVQRTDU-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
NNC(=O)COCCOCCN1CCCC1	1982849990	UGSWVTSYKOFNLX-UHFFFAOYSA-N	231.296	-0.895	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](O)(C(C)(C)C)C1	1983788287	LWVDGDNHZCZEGO-LDYMZIIASA-N	229.324	-0.152	50	10	BBGE	
C[C@H](COc1cncc(B(O)O)c1)N(C)C	1983808473	FRGHIMRNYUVJDP-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
COCCN(C1COC1)[C@H](C)CC(=O)NN	1990122847	CNTZSUUICBNKBR-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
NCC(=O)NCc1cn(C[C@@H]2C[C@H]2Cl)nn1	1991432116	ITJHWGJMBQOPIP-POYBYMJQSA-N	243.698	-0.520	50	10	BBGE	
C[C@]1(O)CCN(C(=O)C=CC(=O)Cl)C[C@H]1O	1992071926	YOSZVULSNMDMNF-XCBNKYQSSA-N	247.678	-0.348	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)c1ccoc1	1996647350	LIJUPBSJBVXZOL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@]1(CO)COCCN1CCCCC(=O)NN	2003265489	YIFGIGJFTGBFKM-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
O=C1CN([C@H]2CCN(C3CCC3)C2)CC(=O)O1	2003605828	CYAKUTQUNGNXHE-JTQLQIEISA-N	238.287	-0.001	50	10	BBGE	
C[C@@H](CC1CC1)N(C)c1ncncc1B(O)O	2004912196	PZSMSGWQOMPXCR-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)CCCO1	2004936283	XMBVNWXERDQQSY-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(CCN(C)C)C1	2007723076	VBUNPIWECGRLPP-NSHDSACASA-N	242.367	-0.116	50	10	BBGE	
C[C@H]1CCC[C@H]1Cn1cccc(B(O)O)c1=O	2008844138	KLWNMTFYPPNJPT-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
CC(C)C1CN(c2ncc(F)cc2B(O)O)C1	2014926839	SINHPFXMWYBREO-UHFFFAOYSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cc(F)cnc1OCCOC1CC1	2014930994	ZPTBKXQVGJAWMF-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccncc1	2020069093	XSYLYTOWXCBCGV-JTQLQIEISA-N	232.048	-0.088	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	2043288431	ZUAIVGNCABYTDA-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CCCC[C@@H]32)n1	2052619621	HUCYDDJCMVIZHL-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
CCOc1c(OC)ccc(OC)c1B(O)O	2060048987	ZOFJLFISYAHCDJ-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CCOc1cc(C=O)cc(B(O)O)c1C	2060137550	ZKUCUVMEOVRWGU-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(C#N)c1B(O)O	2060285239	YIEWSVKLVRMSNL-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccn2nncc12	2066088726	JAXDIJNKHOZFRE-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070852464	SDRYSTMBQKXCMY-MFOSBRBKSA-N	245.091	-0.753	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41	2086993799	IDVDRHLFYBUCNF-ZPQDZSLLSA-N	244.059	-0.955	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cccc(B(O)O)c1	2211131809	DDFQXVNCPSHONW-VIFPVBQESA-N	223.081	-0.821	50	10	BBGE	
CC(C)(CCO)Nc1cc(B(O)O)ccn1	2212603750	QXVBCUCBFMKBNJ-UHFFFAOYSA-N	224.069	-0.666	50	10	BBGE	
NCCCCCOc1cc(B(O)O)ccn1	2212607509	KTPSLXAFEDYOPV-UHFFFAOYSA-N	224.069	-0.731	50	10	BBGE	
CC[C@@H](CCN)Oc1ccc(B(O)O)cn1	2212609888	YYVMIFCSYCMEOU-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
OB(O)c1cscc1Cn1cnc(C2CC2)n1	2214602257	JFPZXKULNPPLKS-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2C[C@H]2C1=O	2215771229	GYODUECDYUGSGK-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COCCn1cccn1	2215776342	MEQZZOBAZDAZGH-VHSXEESVSA-N	238.291	-0.084	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@@H](F)C2)CCC1	2216530662	RJEGBTYXOCZEMB-DTWKUNHWSA-N	245.298	-0.449	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217167221	MHUJYJNAIXUANH-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(O[C@H](C)C[C@@H](C)N)cc1B(O)O	2217168075	RUHZTJWSBFZRDM-RKDXNWHRSA-N	238.096	-0.426	50	10	BBGE	
OB(O)c1ccc(=NCC[C@@H]2CC2(F)F)[nH]c1	2217173740	UGAGEHPOZXJTCL-SSDOTTSWSA-N	242.034	-0.360	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C1(CO)CC1	2217174152	WOGIGNRGVBFGSN-MRVPVSSYSA-N	236.080	-0.666	50	10	BBGE	
CCC[C@H](CNc1cc(B(O)O)ccn1)OC	2217175063	CNKLTRXPSVHNPG-SNVBAGLBSA-N	238.096	-0.012	50	10	BBGE	
OB(O)c1ccnc(NCCc2ccns2)c1	2217175982	QBZWOZMYMYODAA-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
NC[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2217196694	HVPWZDNLDONYLH-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1COC2CC1C2	2217202869	MMROYJSQJYTDAR-SFVIPPHHSA-N	234.064	-0.649	50	10	BBGE	
C=CCO[C@@H](C)CNc1cc(B(O)O)ccn1	2217204347	IJHPBTIMTKCCIS-VIFPVBQESA-N	236.080	-0.236	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(c1ccncc1B(O)O)C2	2222837837	AILYRUUDKMJFBT-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
CN1CCC(C)(Nc2ccc(B(O)O)cn2)CC1	2223629640	WAHNQGZEVYMSFF-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
C[C@@H](C#N)CN(c1cc(B(O)O)ccn1)C1CC1	2223635017	RDVVBDJTQYQIOY-VIFPVBQESA-N	245.091	-0.110	50	10	BBGE	
C#C[C@@]1(Oc2ccc(B(O)O)cn2)CCCOC1	2223645930	CRXVUCOFIJQWNE-GFCCVEGCSA-N	247.059	-0.677	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@]3(O)C2)cc1B(O)O	2223648082	GYIBKAWQAYZIBR-CABZTGNLSA-N	248.091	-0.969	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3[C@H](O)C[C@H]32)cc1B(O)O	2223651628	DGJBKBPHQNLAGV-JMJZKYOTSA-N	248.091	-0.971	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)c1ncc[nH]1	2223667898	SSADRQARUFUWSH-MRVPVSSYSA-N	247.067	-0.557	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCN1C	2223675436	WPXNIXPPEGHKRZ-MWLCHTKSSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cccnc1NC1([C@H]2CCNC2)CC1	2223675933	UNENHPYTNKIGBI-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCSC1	2241475857	GYFHOUYSYJVDJP-ZETCQYMHSA-N	213.067	-0.986	50	10	BBGE	
C=C(CS(=O)(=O)NC(C)(C)C)B(O)O	2241488904	CFLRPZWXQLPTHP-UHFFFAOYSA-N	221.087	-0.728	50	10	BBGE	
O=C1CN([C@H]2C[C@H](Br)C2)C(=O)CN1	2242415671	NYFYYBHMQGLNCA-IZLXSQMJSA-N	247.092	-0.129	50	10	BBGE	
COC1CC(NC(=O)NCC=CB(O)O)C1	2242934112	JFHHBDXIDNDEJN-UHFFFAOYSA-N	228.057	-0.969	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cscc1B(O)O	2243348021	SGUPGFBOFMKUGP-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
C[C@@H](CN(C)C(=O)C#CB(O)O)C1CCC1	2243356053	ASRZNMFLLAQOPE-VIFPVBQESA-N	223.081	-0.104	50	10	BBGE	
CCC[C@@](C)(O)CNC(=O)C1(B(O)O)CC1	2243364677	ASPVJUOTRCTYTP-SECBINFHSA-N	229.085	-0.339	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NC[C@@H](C)F	2243373597	SHXBAVOHCVSXKJ-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
CCON(CC)C(=O)c1csnc1B(O)O	2243378648	XDWXSFVVYGJMFU-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1C[C@@H]1B(O)O	2243396052	GNVMJABUAZQVJA-VGRMVHKJSA-N	231.032	-0.908	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396908	SKBFZUMKZVSVMM-VGMNWLOBSA-N	225.053	-0.737	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1occc1B(O)O	2243397491	CFUDPIKOBSPNLY-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
CCOCCCNC(=O)C1(B(O)O)CCC1	2243397556	DODRPZOASDAFAA-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)c[nH]1	2243401212	NYOHBIQUDNXNKE-LURJTMIESA-N	228.032	-0.828	50	10	BBGE	
C=CCNC(=O)c1cc(Cl)cc(B(O)O)c1	2243410578	DNTINHMIJHFQKG-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1sncc1B(O)O	2243414939	LDTGMRDPAFKEIU-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427498	WKLVCUYXVSLGQY-WDYVCPEMSA-N	247.125	-0.877	50	10	BBGE	
C=CCC(=O)NCc1sc(C)cc1B(O)O	2243685367	SMIQAADIBGRIEL-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H](C)CF)n1	2244149481	KCCZDQKOGXKXOU-LURJTMIESA-N	227.048	-0.741	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CC[C@H]21	2247740149	GRLSEWIFAHMBNJ-HTQZYQBOSA-N	235.048	-0.416	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]2C[C@H]21	2247740985	SHWUKMALRSWKBO-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2CC(C2)C1	2247747698	REWDKPGJCJODGW-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(B(O)O)o1	2247748014	WJIOMLAAKLBCEF-RQJHMYQMSA-N	241.027	-0.468	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)c(F)c1	2247752144	JLCDCQVAIVRQDL-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC(C)C1	2247752541	RCBUAXHOIFPTOD-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@@H](C)F	2247752840	WTQSRGVCJCRNJZ-SSDOTTSWSA-N	239.055	-0.237	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786651	DRIDIZKOIHUZRG-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCCN1	2247790278	GLFHCWWJPKOAQG-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2COC[C@H]21	2247797180	GWMPMNZKEDVXAO-AUXWQGHOSA-N	239.080	-0.513	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)C(=O)[C@H]1C[C@@H]1B(O)O	2247798833	XODRLKFXLUBCGR-JBDRJPRFSA-N	245.059	-0.565	50	10	BBGE	
CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@@H]1B(O)O	2247805962	LOGSTZCSMMWXCW-IUCAKERBSA-N	237.068	-0.759	50	10	BBGE	
O=C1N(C(=O)[C@H]2C[C@H](B(O)O)C2)CCC1(F)F	2247807631	IQDSHUATWLAURQ-IZLXSQMJSA-N	247.006	-0.366	50	10	BBGE	
NCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCCC1	2247809272	OMIMHJXGRZELDD-VHSXEESVSA-N	240.112	-0.421	50	10	BBGE	
CCC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247810013	TUVKDBDUUQZSDK-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(n2cccn2)C1	2247810476	XSRMUNADZFJROH-RKDXNWHRSA-N	235.052	-0.871	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CN(C)C(=O)C#CB(O)O	2247848647	OMABYJUZPUQEIV-UTLUCORTSA-N	239.080	-0.726	50	10	BBGE	
C[C@@H]1CCC[C@@](CO)(NC(=O)C#CB(O)O)C1	2247850612	QOVJTYBCEVTQBV-MWLCHTKSSA-N	239.080	-0.941	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247851670	ICYLYONVJTVCSR-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2247877212	DKXFYQVCNKMJKY-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)C2(B(O)O)CCC2)C1	2247878936	QKDJTXJUGPGHNW-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
O=C1CC2(CCCC2)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898692	GZJTVICVSFCZPT-SFYZADRCSA-N	237.064	-0.079	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909233	GXYVBOHDEJFFQP-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247909775	LMLMYNIBAKVTSX-MQIGXGKASA-N	239.080	-0.610	50	10	BBGE	
Cc1nc(NC(=O)C(C)(C)F)ncc1B(O)O	2248420089	NGMVEGSTBXWRGQ-UHFFFAOYSA-N	241.031	-0.849	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H]1C(=O)O	2248579125	XZWYGOTTXQYOHK-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
CN(CCCCC(=O)O)C(=O)C1(B(O)O)CC1	2248584821	BVFUAPGIRXYRNW-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)co1	2249409331	VJDRATJVTANXBI-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255460577	VWZKEINEEBXHEI-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCc1ccncc1)c1cc(B(O)O)c[nH]1	2255463326	HONCBBVLQHHRQG-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2255467985	USCPYMDKQQNMIM-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]12	2255472335	FIRJJBSAVVSUNV-KHQFGBGNSA-N	248.091	-0.578	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1cncc(B(O)O)c1	2255524287	WFOGDKHADOVBKD-MRVPVSSYSA-N	247.063	-0.864	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255559956	ZKZYTPPCKJKSOB-AOOOYVTPSA-N	249.079	-0.105	50	10	BBGE	
Cc1cc([C@@H]2CCCN2C(=O)C#CB(O)O)on1	2255668593	BRQIDNGEXDJFSB-VIFPVBQESA-N	248.047	-0.338	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1cc(B(O)O)c[nH]1	2255670968	KSESQAKOXJEGMS-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2255689644	OGINICHSKCRADI-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
Cc1ncnc(CNC(=O)C2(B(O)O)CC2)c1C	2255725481	NFUGAKHTJJDTCY-UHFFFAOYSA-N	249.079	-0.283	50	10	BBGE	
C#CCCCCCNC(=O)c1coc(B(O)O)c1	2255733041	FPHWNPNKKJGJSW-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
Cn1cccc1CNC(=O)c1occc1B(O)O	2255738109	NXLTZKUWXPDXLE-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@@H](C2)C1	2258126719	GFLCSQKQWFZXAF-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](Nc1cc(B(O)O)ccn1)C2	2258394834	VDZDPJMMJFOBLO-SCVCMEIPSA-N	248.091	-0.259	50	10	BBGE	
CC(=O)OCCNC=C(C#N)S(C)(=O)=O	2297628838	URWKFFSDYUTMIL-UHFFFAOYSA-N	232.261	-0.451	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369416	UFAFTTDMFHIODS-ZOZBQHSOSA-N	238.096	-0.813	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](CO)C1)[C@H]1C[C@@H]1B(O)O	2298375373	HMHHUDAIFNJZDR-KATARQTJSA-N	241.096	-0.483	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC/C=C/CO	2301346485	RAKVIZCFGWIVDT-OWOJBTEDSA-N	232.048	-0.802	50	10	BBGE	
CC[C@@](C)(CN(CCO)CCCO)C(=O)NN	2303426387	NKNZUVWCKSARQC-NSHDSACASA-N	247.339	-0.931	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)C(C)(C)N	2303847267	GKEKJFRYTJTXEC-LURJTMIESA-N	241.075	-0.562	50	10	BBGE	
CC[C@@H](O)C(=O)N1CCc2cc(B(O)O)ccc21	2317546893	VEAWAZVUILHQBU-LLVKDONJSA-N	249.075	-0.974	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1O[C@H]2CC[C@H]1C2	2327545980	UGUWTVKXMCEYFU-INTQDDNPSA-N	249.075	-0.904	50	10	BBGE	
C[C@H](CO)OC(=O)[C@H](O)Br	33637252	SMOOROHNJPGMPL-DMTCNVIQSA-N	213.027	-0.376	50	10	BBGE	
COCCCNC(=O)NNC(N)=S	42901036	QYLHRBOPWXZJNE-UHFFFAOYSA-N	206.271	-0.930	50	10	BBGE	
C[C@H](CN1CC[C@H](N(C)C)C1)C(=O)NN	82469341	ZHVUMVDEFFYVPX-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)NC(=O)CCl	135314167	KRBMNZGCGGMFPR-SCSAIBSYSA-N	221.644	-0.685	50	10	BBGE	
CCc1ncc(S(=O)(=O)N=C=O)[nH]1	157701825	DCZARNQKZMKXKZ-UHFFFAOYSA-N	201.207	-0.003	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)CCC(C)C	184981680	NENKVETZSXQPFT-UHFFFAOYSA-N	229.280	-0.294	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccccc1O	195125504	PEKRDEDMJYYRLL-UHFFFAOYSA-N	223.232	-0.627	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227214509	NTCCMPSCZGIJAY-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
COC[C@@H](CCl)NS(C)(=O)=O	229023185	ZKKIUYDJNZMELA-RXMQYKEDSA-N	201.675	-0.211	50	10	BBGE	
COc1cc(B(O)O)c(OC)c(OC)c1OC	231542479	JPIGHTPMRMMZRC-UHFFFAOYSA-N	242.036	-0.599	50	10	BBGE	
Cn1ccnc1-c1ccccc1B(O)O	238523472	PAEYCFAVBOWIDC-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
OB(O)c1cccc(-c2ccncn2)c1	238650147	BAKRZVAAXZBHJB-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
OB(O)c1ccnc(-c2cncs2)c1	238651855	FNXLGJUKGBYFTQ-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]2CCC[C@H]21	251535189	HBCVSFMQQAYWKT-HLTSFMKQSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCN1C	252579046	MUPASKMSESLBQJ-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
O=C1OC(=O)[C@@H]2CCS(=O)(=O)C[C@H]12	257899776	VQDUIVPUXLTRAK-UHNVWZDZSA-N	204.203	-0.879	50	10	BBGE	
CNC(=O)CSCc1cc(C(=O)NN)co1	300781873	FYTJVSNVOTYTQI-UHFFFAOYSA-N	243.288	-0.138	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CC[C@@H]1O	304518010	GREUTTRSSJQHBI-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
O[C@H]1[C@@H]2OC[C@H]2O[C@H]1CBr	306287603	ZTXUBLPOYITECL-SLPGGIOYSA-N	209.039	-0.092	50	10	BBGE	
CC(=O)NCCN(C)C(=O)NC(=O)[C@H](C)Cl	308143944	MWEOJWBEMDIPQL-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
COC1CN(Cc2occc2C(=O)NN)C1	309396012	SWVUKRFTOYSDOD-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
N#C[C@H](N)C(=O)NN=Cc1ccccc1	379682972	MFVMGWDYQRKDGD-VIFPVBQESA-N	202.217	-0.012	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](C)C(C)(C)O	382977342	SIURMDLRFBTOAF-BQBZGAKWSA-N	203.286	-0.544	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(O)(CC)C1	384085161	AGRYYTNUFNKDMS-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CN(C)c1ccc(NC(=O)C(=O)NN)cn1	387235470	WDTUDKIWZQVNQZ-UHFFFAOYSA-N	223.236	-0.924	50	10	BBGE	
Cn1ncc(CNC(=O)NC(=O)CCCl)n1	389808739	FAMHYYPHLJRENT-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
COCCOCCN(C)[C@@H](C)CC(=O)NN	390633221	JBVKSKIYALQSGP-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CC(=O)NNC(=O)CCNc1ncccn1	393747812	OGTNSTMGRLLCGQ-UHFFFAOYSA-N	223.236	-0.554	50	10	BBGE	
CC(C)(C)[C@@H](SCC(N)=O)C(=O)NN	395624343	ZRROTDFPFXCNAB-LURJTMIESA-N	219.310	-0.391	50	10	BBGE	
O=CCCc1ccc(/C=C/C(=O)O)c(B(O)O)c1	396128992	BLQFMVZEMBMCFG-AATRIKPKSA-N	248.043	-0.404	50	10	BBGE	
OCc1cc(B(O)O)c2ccsc2c1O	396337142	GZUSVVSMJRJALV-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	404988210	XVBWLBKAYYCOGE-XCBNKYQSSA-N	219.049	-0.039	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cn[nH]c1	405030471	ORIQIIXDWDJKNV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CN1CCN(CCBr)[C@@H](CO)C1	642846009	CGYHFTMLYKQEBQ-MRVPVSSYSA-N	237.141	-0.010	50	10	BBGE	
Cn1nnnc1CC1=C[C@@H](Cl)CNC1	675077479	NBQOXWCSLSVRDS-SSDOTTSWSA-N	213.672	-0.110	50	10	BBGE	
O=C(CCCl)N[C@H]1C(=O)OC[C@@H]1O	675079005	DIWASVCHXNUOGG-UJURSFKZSA-N	207.613	-0.982	50	10	BBGE	
CCN(CCN(C)C)[C@H](C)C(=O)NN	688912138	QVDZUAGTNKMAQL-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@@H](C)O1	689158384	BQNLENKWTZPCTE-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)CC1CC1	690925741	FOSPQPHDLBARLT-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)c1ccccn1	692777605	OOOGPTZBNGXEDX-SSDOTTSWSA-N	222.248	-0.709	50	10	BBGE	
CCN([C@H]1CCN(C)C1)[C@H](C)CC(=O)NN	693430228	BRVWLPOFBBLPLG-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](Cn1nc(C)c(B(O)O)c1C)OC	703793540	CWXUDKNAOHKBOC-VIFPVBQESA-N	226.085	-0.395	50	10	BBGE	
COCCOC1CN([C@H](C)CCC(=O)NN)C1	707346457	JXCSGQULTBNZBM-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COCC[C@H]1Cl	710853763	ATSGDNKHIVRNGE-RNFRBKRXSA-N	231.687	-0.304	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@@H]3C2=O)o1	715696609	AJQFJYZNYXSZGR-XPUUQOCRSA-N	235.243	-0.139	50	10	BBGE	
CN(C)C[C@@H](CCl)NCCS(C)(=O)=O	716723695	NFKHARFMURTVBN-MRVPVSSYSA-N	242.772	-0.210	50	10	BBGE	
CN1CC(=O)OB(CCl)OC(=O)C1	722119867	MOLMGZSPKFVROH-UHFFFAOYSA-N	205.406	-0.716	50	10	BBGE	
CC(=O)CCC(=O)NNc1nnc(C)n1C	1335312497	BRPBPUFOBZDNJA-UHFFFAOYSA-N	225.252	-0.064	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1	1584135699	CWINNPYORIZGFU-RNFRBKRXSA-N	231.215	-0.603	50	10	BBGE	
Cc1ccc(C(=O)NN(C)C(N)=O)nn1	1632039723	UEKWAEQLIPXFMS-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1	1637856742	SJWWSLFTLJZOOI-DTWKUNHWSA-N	240.259	-0.649	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN[C@@H](CO)C1CC1	1642624409	CWEVFSUFLDMEAK-VIFPVBQESA-N	243.307	-0.850	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NC[C@@H]1C[C@@H]1Cl	1877392935	BPNNGEVEKURGJS-DKXJUACHSA-N	218.684	-0.296	50	10	BBGE	
NCCCS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883567966	SNZJKXFIUVBYSL-BQBZGAKWSA-N	226.729	-0.118	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1883640764	VWOFMOJPRLBSES-BDVNFPICSA-N	207.657	-0.528	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883644911	KFRIPJTWWYCHGQ-UCROKIRRSA-N	205.641	-0.822	50	10	BBGE	
C[C@H](CCOCCC(=O)NN)N(C)C	1884887273	NNFCTFAASKCSTK-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
NC(=O)NCC1CN(C[C@@H](O)CCl)C1	1887054573	YKUZKLCFPGDOEQ-ZETCQYMHSA-N	221.688	-0.814	50	10	BBGE	
Cc1c(N)c(C)c(C(=O)O)c(C)c1B(O)O	1887515703	JAMMXWPFSRYAKM-UHFFFAOYSA-N	223.037	-0.428	50	10	BBGE	
Cc1sncc1NC(=O)C#CB(O)O	1889935504	VYSQPSIGZMHQAR-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCC[C@@H](CN)O1	1890868768	ZGYNOBDFBUESPF-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1897339707	HDOBCAGGXXTMSH-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ccon2)C1	1902523366	ZGUIEJBZDOXJPK-SECBINFHSA-N	224.025	-0.246	50	10	BBGE	
CC[C@@](C)(CN1CC([S@](C)=O)C1)C(=O)NN	1902714783	YTHIOHZMSHNSFI-QFYYESIMSA-N	247.364	-0.545	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@H](C)[C@@H](C)C(=O)NN	1908889144	AOMYORAQDCYPML-ZNSHCXBVSA-N	240.351	-0.221	50	10	BBGE	
CCCN(CCCC(=O)NN)S(C)(=O)=O	1913816875	KASCCIYDFFSAIW-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914395347	BUQDUPMARCFSKN-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
CN([C@@H]1CCNC1=O)[C@@H](C(=O)NN)C(C)(C)C	1916212711	SMFHQKSRSMDFTD-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
CC1(C)CC2(CN(C(=O)C(=O)NN)C2)C1	1917161960	KQFMTKJWXOEKNO-UHFFFAOYSA-N	211.265	-0.375	50	10	BBGE	
COCC[S@@](C)(=O)=NCCCC(=O)NN	1918073087	WGLHXPNXYVQOKX-OAHLLOKOSA-N	237.325	-0.499	50	10	BBGE	
CC1(C)C[C@H](O)CN(CCOCC(=O)NN)C1	1923163726	LDJJDFBKBKJAOY-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSCC1=O	1927916711	GHXZTOIJZRLPSR-RNFRBKRXSA-N	229.305	-0.812	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1931420282	TULKACAJMNEZCH-LYFYHCNISA-N	225.697	-0.175	50	10	BBGE	
C[C@]1(CCl)CN(CCn2ncnn2)C1=O	1931729712	KPCIBXNXOXGNBX-QMMMGPOBSA-N	229.671	-0.240	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(N2CCC2)C1	1932057740	OKPNIGCCGVJJMX-UHFFFAOYSA-N	231.683	-0.149	50	10	BBGE	
CN(C)[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088780	RBNXUXCWZOODSQ-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)[C@H]2CCC[C@H]21	1937413928	CYJVBJXQNZBPQY-RYPBNFRJSA-N	223.276	-0.377	50	10	BBGE	
CC(C)(CN1C[C@@H]2C(CO)[C@H]2C1)C(=O)NN	1937461374	ROICTBSFOUWHDE-YUMQZZPRSA-N	227.308	-0.827	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOCC12CCC2	1937987378	DXARPQVAJNLHQW-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@H]1C	1944297587	GNPAYQDEILPZMS-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](OC)C(C)(C)C1	1944720332	UUCFELXUNFNQRQ-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](CO)[C@@H](O)C#N	1951361687	WNFICBUCMZRMKP-BQBZGAKWSA-N	216.237	-0.244	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)C[C@H](C)Cl	1957318325	MSEREGDCFVGCHP-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	1957686460	ORFCKBWDLLOUAL-UOLFYFMNSA-N	209.249	-0.911	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]1c1ncon1	1958700460	CUXTVPNEKLBWGB-WDSKDSINSA-N	211.225	-0.805	50	10	BBGE	
N#CC1=CCN(C(=O)CNCCO)CC1	1961005402	YHIKOMIYWZLJIQ-UHFFFAOYSA-N	209.249	-0.749	50	10	BBGE	
COCCSc1cc(C)c(B(O)O)cn1	1961710749	VUMFIONZMQGKRZ-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
C[C@@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	1975100837	JUOBAJIENRKPIJ-HTQZYQBOSA-N	207.038	-0.816	50	10	BBGE	
NNC(=O)NCCCCN1CCOC1=O	1975242287	XJESSUMFWMRDBV-UHFFFAOYSA-N	216.241	-0.608	50	10	BBGE	
OB(O)c1cccnc1Sc1cccnn1	1981454887	QTASCODGDCDWRZ-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1C[C@H]1CF	1991326854	LEUAOIOVBDNJLK-ACLDMZEESA-N	227.044	-0.191	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]1C1CCCC1	1992975658	ZSTNSEDHIGIMKO-BDAKNGLRSA-N	225.292	-0.081	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@H](C)C[C@H]2C1	1995084275	NZPCIXWEWVIWSM-JEZHCXPESA-N	225.292	-0.259	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)N1CCC1	1997055842	YNIPFUASOGWFRW-UTLUCORTSA-N	238.287	-0.003	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCc2nnccc2C1	1998250734	XMPAGSUKWYETGX-MRVPVSSYSA-N	235.291	-0.397	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	2001044920	DGITUNDYRORIRG-ADEWGFFLSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H]1COCCN1CCOCC(=O)NN	2003904157	CQSJDSQHMORVGV-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCOC1	2004392326	BYIATEIHMVNPQP-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2004601804	BOJJTGLNZUABKH-XFWSIPNHSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](C3CC3)C2)nc1	2004915758	CTIHZKJKZLEPLO-JTQLQIEISA-N	232.092	-0.002	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCOC1CCC1	2008840707	QBMUICMXDVUIHP-UHFFFAOYSA-N	237.064	-0.903	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](C1)C2O	2008870081	JMJDEJGINWJKJI-DHBOJHSNSA-N	249.261	-0.686	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2OCC[C@@H]2F)c1	2009181764	LOPBTQRXSRETPG-VHSXEESVSA-N	241.027	-0.733	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)CC(=O)NNC(C)=O)CO1	2019213113	URADPHRVXIGNFI-ZJUUUORDSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H](NC(=O)c1ccccc1B(O)O)C(F)F	2022197166	YMZNOXYIMOXYBB-ZCFIWIBFSA-N	243.018	-0.250	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@](C)(CO)C1	2022237356	FXZUDIDFZQZIIJ-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@H]3CC[C@@H]32)CC1	2039395884	JGBISDKWMHGSLP-OUAUKWLOSA-N	249.314	-0.139	50	10	BBGE	
Cc1nc(N2C[C@H]3CCC[C@@H]3C2)ncc1B(O)O	2052556323	LUAKIKARHFZWGS-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC23CCCC3)n1	2052620506	URCRKFFJWCUOAO-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@]1(C)CCOC1	2055450416	YKVYAUAGNAWLML-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
COc1c(C=O)cc(OC(F)F)cc1B(O)O	2060328781	DTADPAFCOBGAOD-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cn1cc(C2CN(C[C@H]3C[C@@H]3C(=O)NN)C2)cn1	2074813959	QMTWQOJWZZUJQO-KCJUWKMLSA-N	249.318	-0.555	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1cc(B(O)O)ccn1	2212607249	IIMPLUVHLPKPJD-SFYZADRCSA-N	224.069	-0.734	50	10	BBGE	
CCC[C@@H](N)CNc1cc(B(O)O)ccn1	2212610925	RIKDEWNOGKCPDG-SECBINFHSA-N	223.085	-0.699	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C[C@H]1C[C@@H]1C(=O)NN	2214798280	HSTFTTIFQDAAAZ-XXFSISAASA-N	241.335	-0.296	50	10	BBGE	
C[C@]1(CO)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773080	AMNPOVOACBMKOK-NHCYSSNCSA-N	241.335	-0.293	50	10	BBGE	
CC1(F)CC(CN=c2ncc(B(O)O)c[nH]2)C1	2217173904	UXHIODHKVCKPOK-UHFFFAOYSA-N	239.059	-0.872	50	10	BBGE	
C#CCCN(c1cc(B(O)O)ccn1)C1CC1	2217175530	JZXDKMAEQFVLOE-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
OB(O)c1cnc(N[C@@]23C=C[C@@H](CC2)C3)nc1	2217177744	MTTOYLQZDLQIQG-KWQFWETISA-N	231.064	-0.323	50	10	BBGE	
Cc1cnc(N2C[C@@H](O)C[C@H]2C)cc1B(O)O	2217179649	AODYUDNPBNUREJ-BDAKNGLRSA-N	236.080	-0.971	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1nccc(B(O)O)c1F	2217182318	CAGKYPOGHNYASM-POYBYMJQSA-N	240.043	-0.653	50	10	BBGE	
CCC[C@@H](CCN)Oc1ccc(B(O)O)cn1	2217191750	KZIWOXHYQQMRBW-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COCC2(F)F)c1	2217198882	HOYFPPSHEYXFEE-ZETCQYMHSA-N	244.006	-0.793	50	10	BBGE	
OB(O)c1cnc(NCC2(CCF)CC2)nc1	2217199214	AZYPNDIPVDYUOF-UHFFFAOYSA-N	239.059	-0.292	50	10	BBGE	
C[C@@H]1C[C@H](CNc2ncccc2B(O)O)CN1C	2223639916	UAZSFESHXDZKKL-NXEZZACHSA-N	249.123	-0.487	50	10	BBGE	
COc1ncc(Nc2cc(B(O)O)ccn2)cn1	2223642931	PBKGMIUZIFJFAH-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@H]1C1CC1	2223665404	FYPQKLNHEDURFB-WDEREUQCSA-N	248.091	-0.889	50	10	BBGE	
O=CNc1ccc(F)c(F)c1B(O)O	2241554985	IZCNLRZKDOIAHZ-UHFFFAOYSA-N	200.937	-0.787	50	10	BBGE	
NC1CN(S(=O)(=O)N[C@H]2C[C@H](Cl)C2)C1	2241669155	YTLGYTHLFHELBA-KBTIHESUSA-N	239.728	-0.767	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)[C@H]1C)C(=O)NN	2242163228	LPLCSRWGJQAZLL-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@H](CCl)CNCc1nnnn1C	2242448696	HZAIFFIMMALDBN-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@H](F)C1	2243358392	GHTLQCWFLJEQNG-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1occc1B(O)O	2243363167	BVGDEYLAUUVQKL-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CC2(F)F)C1(B(O)O)CC1	2243366193	YMOWXCKPDDRWLM-IYSWYEEDSA-N	231.007	-0.093	50	10	BBGE	
CC(C)(C)ONC(=O)c1sncc1B(O)O	2243386164	VVPAISLRWSMFAB-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)O	2243396157	IIVLXDAWILBICV-KKMMWDRVSA-N	229.085	-0.485	50	10	BBGE	
O=C(NCCc1ncc[nH]1)C1(B(O)O)CC1	2243397451	BKFWJHGHTULBFO-UHFFFAOYSA-N	223.041	-0.925	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C(=O)C1(B(O)O)CC1	2243410076	VCRFUCUDKVOGEQ-MRVPVSSYSA-N	227.069	-0.777	50	10	BBGE	
CC#CCC(=O)Nc1ccc(B(O)O)cn1	2243701836	HPOXJJZDEDQCPC-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@@H]1Cl	2243713638	YOBGELULWSTYGD-RQJHMYQMSA-N	240.455	-0.673	50	10	BBGE	
CCN(C(=O)C#CB(O)O)C1CCC(N)CC1	2247737932	MAAGERYWQPMUFT-UHFFFAOYSA-N	238.096	-0.880	50	10	BBGE	
C#CCCCCNC(=O)c1ccoc1B(O)O	2247741237	WUXSZPCBSTZKMV-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
O=C(N[C@H]1CCNC[C@H]1F)C1(B(O)O)CCC1	2247753212	CVMPDFKBYHVJRG-SFYZADRCSA-N	244.075	-0.800	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1occc1B(O)O	2247753963	KPYRWRLORFPESY-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)c1cccnn1	2247758976	YTPSEDWLKIBGGT-UHFFFAOYSA-N	235.052	-0.164	50	10	BBGE	
CN(CCn1cccc1)C(=O)[C@@H]1C[C@H]1B(O)O	2247800611	QRNDMFSPVSINRV-NXEZZACHSA-N	236.080	-0.191	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@H]2B(O)O)ccc1=O	2247806443	NEDSJKAFKSQITA-JGVFFNPUSA-N	236.036	-0.813	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCN1	2247810112	UWEAUCBVGARXRA-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2247848539	NDAJEENNTMMVRI-ZETCQYMHSA-N	238.096	-0.141	50	10	BBGE	
N#CC1(NC(=O)c2ccoc2B(O)O)CCC1	2247849019	UEUSWABAHMTWIT-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
CN(CC(F)(F)F)C(=O)c1cc(B(O)O)c[nH]1	2247851040	VSRZBSSXMIRZKW-UHFFFAOYSA-N	249.985	-0.671	50	10	BBGE	
NC1[C@H]2C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2247877117	CBXIFSLDDGNWRL-YUMQZZPRSA-N	238.096	-0.811	50	10	BBGE	
O=C(N1CC[C@H](O)C12CCC2)C1(B(O)O)CC1	2247877529	BOUPKJFMTHZOMO-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885197	HDLCOQBBPOSZPD-OIBJUYFYSA-N	237.068	-0.992	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247886465	BTMFFGCUFBMJQI-KATARQTJSA-N	240.112	-0.648	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2247887190	LGIRRVKXOUHVPN-CIUDSAMLSA-N	243.112	-0.095	50	10	BBGE	
Cc1ccnc(C(=O)NCC(F)F)c1B(O)O	2247889945	CHZYIMLSKIPLOV-UHFFFAOYSA-N	244.006	-0.935	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247896322	YHXHRXWQADZILS-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
Cc1cccnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247897079	NRNXGZWHXGKPEE-IUCAKERBSA-N	234.064	-0.131	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900344	VZSKEEAJTWTHEW-OPRDCNLKSA-N	243.112	-0.237	50	10	BBGE	
C#CCC1CN(C(=O)c2cc(B(O)O)co2)C1	2249433891	RVGQGRPOLZMDOI-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CO[C@H]1C2	2249634721	FXEZHPJVQSLLCK-QNSHHTMESA-N	234.064	-0.649	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CCN=c1ccc(B(O)O)c[nH]1	2251060504	KCBSIOGEPLVZDJ-JZYVYDRUSA-N	234.108	-0.113	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CN3CCC3=O)(C1)OC2	2251812301	SUJBIWOBYMSJHC-QWRGUYRKSA-N	239.275	-0.852	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ccncc1B(O)O	2255456500	OYDMPINGRNOOAF-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1ccoc1B(O)O	2255466022	RZSWSHRFNZKNDA-UFBFGSQYSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(C)cc(B(O)O)c1	2255510939	CBVMOIYBWZKEDR-LBPRGKRZSA-N	245.087	-0.184	50	10	BBGE	
CC=CCNC(=O)c1c(OC)cccc1B(O)O	2255575855	WOJKVALXBJZVRS-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)cc(B(O)O)c1F	2255593099	SYBVBWGRAZXIQO-UHFFFAOYSA-N	249.050	-0.481	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255680688	SPPRSINOWHHDPP-QMMMGPOBSA-N	248.091	-0.267	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@H]2C[C@H]21	2255727855	WPANIDCITWLUOZ-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2255738446	SSCYFUROKWQKKU-QHOPCYEYSA-N	247.059	-0.560	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1n[nH]cc1B(O)O	2255760316	ONELTRFGWTUARE-SRSLHRDFSA-N	249.079	-0.992	50	10	BBGE	
O=C(Nc1ncccc1F)c1cc(B(O)O)co1	2258153077	OAADYUIJBXQXEL-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(Cc1cccc(O)c1)NCCC#CB(O)O	2258974501	XBTZQZKGTJYILM-UHFFFAOYSA-N	247.059	-0.544	50	10	BBGE	
Cc1nnccc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2261223488	FERDPISRAKVRLD-UWVGGRQHSA-N	249.079	-0.394	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165958	INJZRQQDZCGROP-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166047	OVMGQTYBGLVWMF-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1C[C@H]1B(O)O	2298369828	GVTFXOFSXAIMPS-LRPJSKTQSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1CO2)[C@@H]1C[C@H]1B(O)O	2298370430	YJLDWBCHSKIPMW-JDDHQFAOSA-N	239.080	-0.467	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298374596	BYYUEDISVXQRSU-ZBGLXGBJSA-N	239.080	-0.779	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298374628	FXYDQTFESMGMRN-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@]12CCOC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2298375634	TUFHMBSYVILKPT-PKIKSRDPSA-N	239.080	-0.608	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1CO	2298377279	KTLQIVFNIINUQW-XFWSIPNHSA-N	241.096	-0.674	50	10	BBGE	
COC[C@]12CCO[C@@H]1CN([C@@H](C)C(=O)NN)C2	2299792630	UXLGLKYCNIOMGK-IQJOONFLSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C(=O)CCC1=O	2300386326	ZYFBSAASZNQXNM-SFYZADRCSA-N	239.275	-0.458	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1cccc(C(N)=O)c1	2300927714	XXHHBJHELSFUGP-ZETCQYMHSA-N	237.259	-0.067	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H]2C[C@@H]2CO1	2312612140	BZYFOVBRQNOIHN-IVZWLZJFSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(OC[C@]23C[C@H](CCN2)C3)c1	2314963636	CLMHTVXGVIFSDP-WVSHTKLVSA-N	248.091	-0.718	50	10	BBGE	
Cc1nc(C)n(-c2ccc(B(O)O)cc2C#N)n1	2317126158	DRADJHFEVMDTHB-UHFFFAOYSA-N	242.047	-0.564	50	10	BBGE	
C[C@H](N)CCCNc1ccc(B(O)O)cc1C#N	2317163045	VNWTWBKAQOFCFU-VIFPVBQESA-N	247.107	-0.223	50	10	BBGE	
C[C@H](O)C1CN(c2ccc(B(O)O)cc2C#N)C1	2317163612	YKAGMJSWVPIZGY-QMMMGPOBSA-N	246.075	-0.945	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CC(CO)C1	2317164230	XCHSPKPBRXYYFM-UHFFFAOYSA-N	246.075	-0.579	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc(O)cc1	11638899	FZNGKBZIOAMFDS-UHFFFAOYSA-N	210.189	-0.855	50	10	BBGE	
NNC(=O)CSC1=CC=CCN1O	39117353	HTHZAGUZGWHNLM-UHFFFAOYSA-N	201.251	-0.188	50	10	BBGE	
COC(=O)CS(=O)(=O)NCCCl	42533863	PKECCQBNMWBHOF-UHFFFAOYSA-N	215.658	-0.682	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1cccc(F)c1	49819903	ZCDIKRQGOZVOBY-LURJTMIESA-N	225.223	-0.066	50	10	BBGE	
COc1cccc(N(C)C(=O)C(=O)NN)c1	49976257	FBXUTEFIXYRYAZ-UHFFFAOYSA-N	223.232	-0.352	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(=O)NC(=O)[C@H]1C	85087031	CSBNNUZXMBODCU-PHDIDXHHSA-N	232.667	-0.265	50	10	BBGE	
Cc1cc(=O)n(CC(C)(C)C(=O)NN)cn1	86598139	OXTFQSCXSIPKIM-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
CNC(=O)c1ccn([C@@H](C)[C@H](C)C(=O)NN)n1	93072488	DXKFSJUEECESKC-BQBZGAKWSA-N	239.279	-0.570	50	10	BBGE	
NNC(=O)c1ccccc1CN1C(=O)CCC1=O	110579201	HMWYSFAQWOPOMD-UHFFFAOYSA-N	247.254	-0.061	50	10	BBGE	
CCN(CCCO)[C@H](C(=O)NN)C(C)C	124933854	FRAQZHSXZAASCD-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O	167880964	RXZFFRMOWRGHPQ-MLUIRONXSA-N	245.666	-0.576	50	10	BBGE	
CN(CCO)C(=O)C(=O)NCCCCl	170359229	KNHOGSPGIROTLX-UHFFFAOYSA-N	222.672	-0.818	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)Cc1ccccc1B(O)O	211155181	FDQZGUYKFICONP-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
CC(=O)N[C@H]1CCN([C@H](C(=O)NN)C(C)C)C1	228341431	LQGPVXCKJXDKSS-UWVGGRQHSA-N	242.323	-0.789	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)CC(F)F	231592423	HFESWWCAHZSSCV-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
COC[C@H](Oc1cccc(CO)c1)C(=O)NN	232418363	KGZGREQCKPSDGY-JTQLQIEISA-N	240.259	-0.437	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H]1CCO	232419008	ONAJRWFDVAPTFE-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CCCN(CCN(C)C)[C@@H](COC)C(=O)NN	232419847	BJLXHEDOGGNCAX-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
Cc1cnn(-c2ccc(B(O)O)cn2)c1	238494944	ANUGPQATHZGFKB-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C(O)C[C@@H](Cl)[C@@H]1NC(=O)NC1=O	238623958	YZIARTBNSQTGFS-FONMRSAGSA-N	206.585	-0.724	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCOC[C@H]1N=C=O	251045909	QGYSDGVERABKBW-YUMQZZPRSA-N	245.260	-0.778	50	10	BBGE	
CN(N)C(=O)Cc1ccc2oc(=O)[nH]c2c1	258982183	JVTBHCRZBZLXJV-UHFFFAOYSA-N	221.216	-0.004	50	10	BBGE	
O=C(O)c1cc(B(O)O)cc(C(F)(F)F)n1	381504463	DQOJTHVVQGMBOH-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
CN(CCn1cc(C(=O)NN)nn1)C(C)(C)C	382287052	PIEVFOZMKUABBN-UHFFFAOYSA-N	240.311	-0.388	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1CCO	382357393	JZSPBUNATMKUFQ-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CC(C)(C)CNNC(=O)[C@@H]1COCCN1	390799850	XDKOYYYYGQUSAR-QMMMGPOBSA-N	215.297	-0.358	50	10	BBGE	
O=C(N[C@]1(CCl)CCOC1)[C@@H]1COCCO1	393920659	RSZRJGPASLJYIH-WPRPVWTQSA-N	249.694	-0.084	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)CCCCl)C[C@H]12	395300410	UDYSHKMPIJKCIC-BQBZGAKWSA-N	244.678	-0.264	50	10	BBGE	
O=C(O)c1nc2cccc(B(O)O)c2o1	396120654	OCGGYMUWWZKFGJ-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
O=C(O)c1cc2c(O)cc(B(O)O)cc2s1	396374054	AYYDIXIMUKJUHM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)CCSC[C@@H](C)C(=O)NN	399211652	RFFMTMMAFLHSFN-ZCFIWIBFSA-N	219.310	-0.518	50	10	BBGE	
CC1(CO)CCN(CCCC(=O)NN)CC1	402791639	LKAQUQUJVFPVFY-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC[S@](=O)N(C)Cc1cc(B(O)O)cs1	404890856	YEFUPILCQDUIBQ-HNNXBMFYSA-N	247.150	-0.457	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)c(C)c1	405157681	YJSJMHZUHKFUEJ-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)[C@H](C)C(=O)NN	688148146	DHPXYTUUCKIWQR-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CO[C@@H](C2CC2)C1	691781582	WDOWTLXSBXIBQI-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCCNC2)CC1	692122516	BHTWGHICSFWGDO-JTQLQIEISA-N	237.303	-0.137	50	10	BBGE	
COc1cc(C)nc(Cn2cc(B(O)O)cn2)c1	694545260	WQTZUFJPGBDRSC-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
CCC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	698424468	GIBFQGYUOGFLPT-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
O=S(=O)(NCB(O)O)c1ccccc1F	701948591	BEGRVYJHGRXCIT-UHFFFAOYSA-N	233.029	-0.884	50	10	BBGE	
COCC(COC)N(C)[C@@H](C)[C@H](C)C(=O)NN	702035570	OZQVJRDZRNGZBS-IUCAKERBSA-N	247.339	-0.406	50	10	BBGE	
N#C[C@H]1CCN(CCCCC(=O)NN)C1	703285406	HNPQWVAHVRNXTK-SECBINFHSA-N	210.281	-0.008	50	10	BBGE	
CN(C)CCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703464927	ITZVPIJPHUHDSD-IUCAKERBSA-N	226.276	-0.146	50	10	BBGE	
CNC(=O)CS[C@@H](CC(C)C)C(=O)NN	710062624	FAQUPFRRHGNTFD-ZETCQYMHSA-N	233.337	-0.130	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H](N)C(F)F)CC1	724766883	NGNCKPYYWZULCV-SSDOTTSWSA-N	247.245	-0.154	50	10	BBGE	
O=S1(=O)CC2(C1)OC[C@H](CCl)O2	725654115	KPNKQWWLSFRZDD-YFKPBYRVSA-N	212.654	-0.235	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)CC(N)=O)cc1	746185734	QEFBWZBGPISJLH-UHFFFAOYSA-N	246.226	-0.805	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H](CC)C(N)=O	794548792	YQXFWRVUZARFCS-NFXKFNAJSA-N	225.248	-0.190	50	10	BBGE	
Cn1cc(C(=O)NN=CC[C@@H]2CCOC2)nn1	853385520	AJFPPFVZLQJBDX-MRVPVSSYSA-N	237.263	-0.043	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1130344244	VTIAKUZPRKWHSC-JQCXWYLXSA-N	237.259	-0.282	50	10	BBGE	
COC(=O)c1ccc(NNC(=O)CO)nc1	1137937794	JXCYSFSBOFFONL-UHFFFAOYSA-N	225.204	-0.696	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNC(=O)N(C)C	1320800448	OTFAAKSUUSJWJZ-SFYZADRCSA-N	229.280	-0.039	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=c2cc[nH]cc2)CCN1	1324541006	KCAMHQYVQVLMAO-SECBINFHSA-N	248.286	-0.137	50	10	BBGE	
CC[C@@H](C(=O)NN(C)C(N)=O)[C@@H](C)O	1457736182	OWPMHXDDPLJNGF-PHDIDXHHSA-N	203.242	-0.565	50	10	BBGE	
Cc1cc(=NNC(=O)c2cnn[nH]2)cc[nH]1	1457946515	FFVJCKGSPYDBJJ-UHFFFAOYSA-N	218.220	-0.313	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NCC#N)cn1	1464716528	BKDMICHLWJESHY-WTKPLQERSA-N	215.216	-0.033	50	10	BBGE	
COc1ncnc(OC)c1C(=O)NNC(C)=O	1540496520	XGHQGLBHHNFUSP-UHFFFAOYSA-N	240.219	-0.725	50	10	BBGE	
O=C(Cc1ccncc1)NNC(=O)c1ncc[nH]1	1566206047	DBJVZKFRSUJRGZ-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC(=O)NC1CC1	1587335704	YTINIQDUHVUSQP-BQYQJAHWSA-N	237.259	-0.175	50	10	BBGE	
Cc1cnc2nc(C(=O)NN(C)C(N)=O)nn2c1	1596555645	TWNCNGUYYHOUSJ-UHFFFAOYSA-N	249.234	-0.912	50	10	BBGE	
Cc1ncncc1C(=O)NNC(=O)c1ncon1	1618117044	VHYMFUBRODABEG-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
CCNC(=O)NNC(=O)c1coc(CO)c1	1625729168	NRHUBTKAPMYWES-UHFFFAOYSA-N	227.220	-0.264	50	10	BBGE	
Cc1ncc(CC(=O)NN(C)C(N)=O)o1	1632039528	QBFREWSOOVEUFN-UHFFFAOYSA-N	212.209	-0.433	50	10	BBGE	
NNC(=O)COC1C(F)(F)C1(F)F	1882505899	VDLCZIAULHOYGE-UHFFFAOYSA-N	202.107	-0.354	50	10	BBGE	
C[C@H](CN)S(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883565239	AJVRTSAWRDLCLC-QYNIQEEDSA-N	226.729	-0.120	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCOC1CC1	1888043011	NCFPKFIFLNBRPF-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
NNC(=O)C(=O)NCC1(CCF)CC1	1891997206	WDRABUVSFOUMLY-UHFFFAOYSA-N	203.217	-0.768	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@H]1COCCN1	1893118440	HVJMUYNLLBGTNF-GJMOJQLCSA-N	218.684	-0.282	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2C[C@]2(O)C1	1895057903	HUGFCAAXCYWTNA-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)CC(=O)NN)[C@@H]2C1	1896586166	KWIZTJRFZOXDNJ-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1cccc(B(O)O)c1	1897402952	VRDDOXWUJUTZOF-DTWKUNHWSA-N	223.012	-0.793	50	10	BBGE	
Cc1nccn1CCO[C@H](C)CC(=O)NN	1900901500	VAVUPFQSWWCKGN-MRVPVSSYSA-N	226.280	-0.023	50	10	BBGE	
N#CC1(F)CN(CC2(C(=O)NN)CCC2)C1	1901251271	NACOYGSVROPBQC-UHFFFAOYSA-N	226.255	-0.306	50	10	BBGE	
COc1cc(CN2CC[C@H](B(O)O)C2)on1	1902544397	BRMBIVGYAIIOSA-ZETCQYMHSA-N	226.041	-0.268	50	10	BBGE	
O=C(NCB(O)O)c1cnc(C(F)(F)F)o1	1902948639	BOLXPSOEVABOGQ-UHFFFAOYSA-N	237.930	-0.565	50	10	BBGE	
C[C@@H](C[C@@H]1CCOC1)n1cc(B(O)O)cn1	1905270971	RPEXMUJLIINOQC-IUCAKERBSA-N	224.069	-0.450	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H]2[C@@H]1C[C@H]2O	1907866871	NYUIFNPQHFNEBZ-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CC[C@@H]2C1	1908993879	YFRHUKDVTABCEB-VHSXEESVSA-N	232.092	-0.002	50	10	BBGE	
CC(=CCl)Cn1ccc(B(O)O)n1	1911730897	UCTQOGDEUVLIPJ-UHFFFAOYSA-N	200.434	-0.295	50	10	BBGE	
CCCN(C1COC1)[C@H](C)CC(=O)NN	1915661772	YESDNFYLTASOPO-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
Cn1cc(C=NNC(=O)C(F)(F)F)nn1	1923408257	ZZHCLCSPDWCRSL-UHFFFAOYSA-N	221.142	-0.173	50	10	BBGE	
CC1(C)[C@H](CO)CCN1CC(=O)NN	1931526018	FPHIDRKEPMQWAX-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C(F)(F)C1	1931821299	DFSXWMHZQAYAKB-NTSWFWBYSA-N	223.223	-0.933	50	10	BBGE	
CCCC1CN(CCOCC(=O)NN)C1	1932057564	LWVFMDCYHZWDOK-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
COC[C@H](NC(=O)[C@@H](C)Cl)C(N)=O	1932167113	ZNCSBKNVJHYNLM-UHNVWZDZSA-N	208.645	-0.770	50	10	BBGE	
C[C@H]1C[C@]1(CNC(=O)NN(C)C)C(=O)O	1935436758	DLWGHNWLMRUZPE-IMTBSYHQSA-N	215.253	-0.127	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCOC[C@H]32)CC(=O)O1	1937577388	PFWDNZVQRWKMPO-DJLDLDEBSA-N	225.244	-0.346	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@H](C)C1(F)F	1938959465	GGHPOUIFTJFYLS-WDSKDSINSA-N	235.234	-0.274	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1C[C@@H]2COC[C@H]2C1	1939477618	JBPMLUPLLNJQEO-IWSPIJDZSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)CCC(=O)NN)CO1	1958051981	RHTVZMBQGICSKV-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(F)C[C@H]1CO	1958321433	JRDIJBGAHPRHJF-RITPCOANSA-N	223.223	-0.933	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(CCF)C1	1958352532	JTMMGKUXPGVIAB-QMMMGPOBSA-N	219.260	-0.717	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@H]32)nc1	1961678076	KVQXGWPXTRMSNH-VXNVDRBHSA-N	204.038	-0.640	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H](O)C[C@H]21)C(=O)NN	1975088595	SGQDAMCJVJPONY-XAVMHZPKSA-N	213.281	-0.933	50	10	BBGE	
CCCOC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1976057298	CGMBOHFXNAPXQD-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1C[C@H](OCCC(=O)NN)C[C@H]1OC	1979354407	SJOQGMACZGZHHJ-PSVAKVPMSA-N	232.280	-0.425	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)CC1(C)C)C(=O)NN	1980722854	NSMZRKQKFLAURF-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccc(N2CC(C3CC3)C2)nc1	1981408898	GSWVTPPSEAEDJO-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C[C@H]1C	1981412569	WEYINQUKMNTXHW-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H](N)CN(CC)CC(=O)NNC(C)=O	1981710595	WXBLAHNJXKOSKE-SECBINFHSA-N	230.312	-0.787	50	10	BBGE	
CCNC(=O)N[C@H](C)c1cc(B(O)O)cs1	1983824061	LYJVNRMFTQQUKS-ZCFIWIBFSA-N	242.109	-0.192	50	10	BBGE	
C[C@@H](CN(C)CCOCC(=O)NN)C(F)F	1986283524	YVUMUDNWPMDKMP-ZETCQYMHSA-N	239.266	-0.174	50	10	BBGE	
O=C1CN(C23COC(CF)(C2)C3)CC(=O)O1	1993877031	IPXIJVBYIQZUJH-UHFFFAOYSA-N	229.207	-0.357	50	10	BBGE	
CCC[C@@H]1CN(CCC(=O)NN)C[C@@H]1CO	1994827204	UTHQQQJPOFWNKC-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CCCN1CCN([C@H](CC)C(=O)NN)CC1=O	1996756258	QBRCKARIOLQYMR-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@H]21	2000717083	OBPKAWUYTWRYAI-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(CO)CCCN2)CC1	2003037635	UQPSBRTYOGBWHO-LBPRGKRZSA-N	235.287	-0.217	50	10	BBGE	
CN(C)C[C@H]1CN(CCCC(=O)NN)CCO1	2003923177	QVUGVGMOKOHQKA-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@H](CN1C[C@]2(CCOC2)CC1=O)C(=O)NN	2003930223	HSBWZENJZHDPCG-KCJUWKMLSA-N	241.291	-0.749	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1c1ccc(B(O)O)cn1	2004910941	AQGPNJRNDBTXAU-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
CCCOCCCOc1ncc(B(O)O)cn1	2004928735	FXJHKUUXIOFWOJ-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
CCON(CC)c1nc(C)nc(C)c1B(O)O	2005016468	PXLCTIOELSOAMF-UHFFFAOYSA-N	239.084	-0.449	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1C[C@H]2C[C@@H]2C1	2008840776	RCCLOGJNTCZSJF-UWVGGRQHSA-N	233.076	-0.426	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1cccc(B(O)O)n1	2009675606	HMWYREJNBBAYHY-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCOCC12CCC2	2015677740	ZOPGTELKNOXEKX-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
C=CC1(O)CCN(CC(F)(F)C(=O)NN)CC1	2018849743	CFICERIAXMGNJO-UHFFFAOYSA-N	249.261	-0.376	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@@H](N(C)C)C1	2019208627	IXXDXPGDAOLOJU-SCZZXKLOSA-N	242.323	-0.964	50	10	BBGE	
C=C(CN1CC[C@@H]2CCN(C)C[C@H]2C1)B(O)O	2021158740	HTPNZTQYFJGQDS-RYUDHWBXSA-N	238.140	-0.172	50	10	BBGE	
C=C(CN1CC(N2CCC[C@H](C)C2)C1)B(O)O	2021164959	OJZJPQARGBNDKB-JTQLQIEISA-N	238.140	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@H](OC)C1	2022124771	VAAOWQYRGHYAOI-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CCCN(C[C@]12C[C@](C(=O)NN)(CO1)C2)OC	2023853720	NGPOZVHHHYLQRT-XYPYZODXSA-N	243.307	-0.201	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)N[C@H](CB(O)O)C(=O)O	2026418415	ZOGQMSISUHAHDL-RNFRBKRXSA-N	241.052	-0.781	50	10	BBGE	
CN(C)CCC1CN(c2ncccc2B(O)O)C1	2056600564	KDEPMQNYIBIJIM-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
N#Cc1ccc(Cl)c(B(O)O)c1C=O	2060093317	TUZGDRCZXNGGHH-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1c(C=O)ccc(C#N)c1B(O)O	2060189444	HTUVNXDXCSOOJU-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068702253	IAPUOYDDAIOXCX-JGPRNRPPSA-N	247.103	-0.036	50	10	BBGE	
CCOC(=O)c1cccc(B(O)O)c1OC	2069785403	RYOXVTRLNCNNCO-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ccccc1B(O)O	2079007859	APYRXXVXRHPGMX-UHFFFAOYSA-N	246.075	-0.354	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2	2079012168	POKUUONSXRGTAE-MFKMUULPSA-N	245.087	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)c1ccc(=O)n(C)c1	2210281637	QLPCPEGGZUKATK-SSDOTTSWSA-N	224.264	-0.800	50	10	BBGE	
COC[C@H](OC[C@H]1CCCN1C)C(=O)NN	2211854132	HGNBXHGICPCEQX-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C(=O)O1	2212250408	LVIIDUUDZDCHBV-ZETCQYMHSA-N	227.264	-0.013	50	10	BBGE	
Cc1cnc(OCCCCN)cc1B(O)O	2212599675	MFLUNZNJELGJND-UHFFFAOYSA-N	224.069	-0.812	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@H]2C[C@@H]2C1	2212602161	ZLXWQYOEQGUXMJ-HTQZYQBOSA-N	218.065	-0.028	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C)C2)cc1B(O)O	2212602959	BBUGWAQMKNYOHG-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
CO[C@@H](C)COc1nccc(B(O)O)c1F	2212605829	KRZZANSOUZWOKN-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	2215199375	PRCMSEPBXILDRU-OGBGREFGSA-N	239.319	-0.136	50	10	BBGE	
CCn1ccn(C[C@@H]2CC[C@H]2C(=O)NN)c1=O	2215771600	IXRBCCSLBRCBGO-DTWKUNHWSA-N	238.291	-0.314	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ncccc2B(O)O)CN1	2217175790	NGLBPKXSGWVENK-BDAKNGLRSA-N	235.096	-0.686	50	10	BBGE	
C[C@H](CCN)N(C)c1nccc(B(O)O)c1F	2217181928	XDXJKTSAYPXDSP-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
NC[C@@H]1CCCCN1c1ncccc1B(O)O	2217184594	UQRCCHFOULQFDW-VIFPVBQESA-N	235.096	-0.921	50	10	BBGE	
Cc1cnc(N[C@@H]2CCO[C@@H]2C)cc1B(O)O	2217184834	WYYPEZOUQQGREI-PSASIEDQSA-N	236.080	-0.341	50	10	BBGE	
OB(O)c1ccnc(OCC[C@H]2CCNC2)c1	2217186058	FOIRZCPOLANQOU-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
CC[C@H](COc1cc(B(O)O)ccn1)N(C)C	2217194374	VGDXQDYGVXFDOP-SNVBAGLBSA-N	238.096	-0.520	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ccnn1C	2223630106	YAIOLAWZQICESH-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNC3(CCC3)C2)nc1	2223641399	TWWJJNDQIPBEJZ-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCNC23CCC3)nc1	2223645689	BLTHEZIPKYACPM-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
C[C@@H](CNc1cc(B(O)O)ccn1)N1CCCC1	2223672588	BMBYLUXUXRXCNN-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
CC12COC(COCC(=O)NN)(C1)C2	2241410686	CBCXOLZNLOSIJS-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2243358400	GKNKXCLMSGHDDR-JIGDXULJSA-N	225.053	-0.856	50	10	BBGE	
C[C@H]1C[C@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2243365903	UPXUBKHRJBYOCF-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
O=C(NCc1cc[nH]c1)C1CC(B(O)O)C1	2243391331	JJGSLAHGECZXNB-UHFFFAOYSA-N	222.053	-0.116	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CO	2243395728	BEQKFRZQHRSVDQ-ZKCHVHJHSA-N	229.085	-0.531	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243396472	MNTTUDVYWIFKIU-CIUDSAMLSA-N	228.101	-0.565	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCCO1	2243396910	SKWXBQAFSQVZCR-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[C@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243397485	CAWLZIOAAHDMKD-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2243409963	SBLDDBBLGOIHIE-IONNQARKSA-N	227.069	-0.323	50	10	BBGE	
CC1(C)[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2243411512	VCTJNXNEOJQSMA-SSDOTTSWSA-N	227.069	-0.635	50	10	BBGE	
O=C(N1CC=C[C@H]1CO)C1(B(O)O)CCC1	2243411693	YNXQVOOGABTUQM-QMMMGPOBSA-N	225.053	-0.857	50	10	BBGE	
CCC[C@@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418003	YUDVEXNBTBHDJS-HRDYMLBCSA-N	228.101	-0.517	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H]1Cl	2243713635	YOBGELULWSTYGD-BQBZGAKWSA-N	240.455	-0.673	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2244205510	KELWTYRXLXDAEB-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cocc1B(O)O	2244216008	HPIPHJWBDBCEFR-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
CC[S@@](=O)NCc1ccc(B(O)O)c(C)c1	2245278228	YEASHCGSVCGRKC-MRXNPFEDSA-N	241.121	-0.552	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)C2(B(O)O)CCC2)CCN1C	2247732265	DWPJJBAPBUKFCX-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
CC(C)OC[C@H]1CCN(C(=O)C#CB(O)O)C1	2247737385	FSAMYZSEYNEPJZ-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1ncccn1	2247738923	WMKVHFKWOMYJIL-UHFFFAOYSA-N	235.052	-0.164	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1Cc2conc2C1	2247786772	GIQJXOXYWAIWFH-WRXNHJIOSA-N	236.036	-0.230	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247797188	GXEYDTMTQUWLEZ-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
C=CCN(CCOC)C(=O)C1CC(B(O)O)C1	2247797742	MNFKCQSDAYMHON-UHFFFAOYSA-N	241.096	-0.100	50	10	BBGE	
C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247801001	VZGHQDXGTNVETF-BBBLOLIVSA-N	239.080	-0.347	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1[C@H]2CC[C@@H]1CNC2	2247806967	PHNMRNSQBIUVBV-OXYCZDQYSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2C[C@]2(O)C1	2247807406	RAQMYCJKGQCQFZ-CDLYGTGVSA-N	239.080	-0.777	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)OC	2247809538	PYZCLEONFRHQFR-FXQIFTODSA-N	243.068	-0.693	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)[C@H]1C[C@@H]1B(O)O	2247809767	RGEWFOLMHAAREX-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
C#Cc1cccc(CNC(=O)C#CB(O)O)c1	2247849597	BZBRSQWADAHXAY-UHFFFAOYSA-N	227.028	-0.701	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]1C1CC1	2247850797	TUQMQVHGLDJMLW-JTQLQIEISA-N	234.064	-0.681	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891916	QJQUAUHNOFBPJR-WOOKNIGNSA-N	241.096	-0.077	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247896284	GFCMYODWGRMHPU-KBIXCLLPSA-N	239.080	-0.371	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247898627	GJGQUBXSFIEYBL-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
C[C@@]1(C(=O)O)CCN1C(=O)C1(B(O)O)CCC1	2248587451	PQILNTDHBRZLND-VIFPVBQESA-N	241.052	-0.541	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2C=CCC2)n1	2249274826	PIBHGBIYDLSVBU-MRVPVSSYSA-N	235.048	-0.133	50	10	BBGE	
C=CCCCN(C)C(=O)c1cc(B(O)O)co1	2249419638	JHPOPBHAEPTMDG-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)CCN(C)C	2250967132	AAAFQTQJMJFHKS-UWVGGRQHSA-N	246.355	-0.737	50	10	BBGE	
Cc1cc(CNC(=O)c2ccoc2B(O)O)co1	2255476819	QHDKQXYMWMZTGB-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
Cc1cnc(C(=O)N[C@]2(C)C[C@H]2C)c(B(O)O)c1	2255558205	FTMJSSPEXNDKGK-PRHODGIISA-N	248.091	-0.402	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255670362	XTAIOSUQQZPFMA-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
C#CC1CCN(C(=O)c2ccoc2B(O)O)CC1	2255713476	BFZJGOKEWSHXFR-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1C[C@H]2C[C@H]2C1	2255724974	SJUQVXKWGOMDPY-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
C#CCN(CC)C(=O)c1cccc(B(O)O)c1C	2255734551	CJIQPGQQNOXTST-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(NCC1=CCCCC1)c1c[nH]nc1B(O)O	2255788791	VYBSJWWNQTUTJF-UHFFFAOYSA-N	249.079	-0.680	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]21	2258151096	KHWHHROIRRZDHB-HLTSFMKQSA-N	249.075	-0.313	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369782	FLPQNSFFMSFUBC-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1C	2298371101	ZXSXGUSNVOJIKG-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377492	SPWUWNZMSHGATH-HXFLIBJXSA-N	241.096	-0.485	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CCC2(F)F)nc1	2299006521	LEWPZZKDNVWLDR-LURJTMIESA-N	244.006	-0.420	50	10	BBGE	
CN1CCN(CCC[C@H]2C[C@@H]2C(=O)NN)C1=O	2300373419	RGVQTNCYEFBSEI-IUCAKERBSA-N	240.307	-0.240	50	10	BBGE	
CCn1c(C)nnc1CN1CC[C@H](B(O)O)C1	2303104872	LEZJSZMZBYJFAI-VIFPVBQESA-N	238.100	-0.345	50	10	BBGE	
CC[C@](C)(CN(C)[C@H]1COC[C@@H]1O)C(=O)NN	2303413395	JKCUSIBXTRFVSO-ATZCPNFKSA-N	245.323	-0.916	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303837088	VNNLDQUXVVIDTK-RQJHMYQMSA-N	242.059	-0.264	50	10	BBGE	
CCC[C@@H](CN)Oc1cc(B(O)O)c(F)cn1	2303848587	BBUUXUDLCSWWIX-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@H](C)[C@H]1C	2304109595	KUIFZGJFXLTQFE-HTQZYQBOSA-N	241.291	-0.547	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308467	KJPZCLGKFIYWFQ-JOYOIKCWSA-N	249.075	-0.374	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CC=CCO1	2317899511	WWFRYNMXNYTGQB-LBPRGKRZSA-N	248.091	-0.092	50	10	BBGE	
Cc1cnccc1C[C@@H](C)NC(=O)C#CB(O)O	2318216016	ABMBQHFXORGFBW-SNVBAGLBSA-N	246.075	-0.547	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1cccc(C)c1B(O)O	2327693779	BTCXBLKBIZEULY-VIFPVBQESA-N	246.075	-0.182	50	10	BBGE	
NNC(=O)N/N=C/c1ccc(O)cc1O	1592769	YDUKGQVCUBMRBC-ONNFQVAWSA-N	210.193	-0.395	50	10	BBGE	
O=C(Cl)CCC(=O)NCCN1CCNCC1	33435103	MBJWQBFOFMAVBQ-UHFFFAOYSA-N	247.726	-0.447	50	10	BBGE	
CNC(=O)CN(C)C(=O)NC(=O)CCl	37269390	FGXUXZHLTNOVRC-UHFFFAOYSA-N	221.644	-0.861	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC[C@H](Cl)C1	69717265	AMCKALSAPWCMDZ-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
COC[C@@H](O)CN(C)[C@H](C)CCC(=O)NN	82470801	NMRWBVMKVXXKQQ-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C(C)(C)C1	82485355	AQBUSGCKEPQBMA-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CC[C@H](C(N)=O)CN1CCCC(=O)NN	110586439	IGPJIJOKUZQRQY-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](C)CCC(=O)NN	110589128	RSWAHXCUCLEPJL-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C2CC2)CC1	110597269	IQTYOYBTHVIRFB-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
NC(=O)NCCNC(=O)CCCCl	132275867	VNJASYZPZPJYIO-UHFFFAOYSA-N	207.661	-0.210	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC(=O)CC1	132528035	YQUWRIOKROXKTQ-ZETCQYMHSA-N	201.657	-0.061	50	10	BBGE	
COC[C@H](O)CN(C)C[C@H](O)CCl	157978815	IOBURJYVIXSVSY-HTQZYQBOSA-N	211.689	-0.475	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@@H](CO)C1	163069745	SBLCDGQRPLBVLP-MRVPVSSYSA-N	239.275	-0.303	50	10	BBGE	
C[Si](C)(C)O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	210209225	BKVGDLRCZNMWCW-OOJXKGFFSA-N	222.313	-0.723	50	10	BBGE	
COC(=O)[C@H]1CC/C(=C(/C#N)C(N)=O)N1	217647908	HJAUVRLQETVNDT-WEWAHIQMSA-N	209.205	-0.826	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](N(C)C)C1	223093886	WRUFRFLKGFWSNC-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cccnc1	232419222	PQYWOHIZPHLMMU-JTQLQIEISA-N	238.291	-0.482	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)cc1Cl	238078561	ROXMCUHBQIHKLK-UHFFFAOYSA-N	213.429	-0.022	50	10	BBGE	
CCOC(=O)c1nc(F)ccc1B(O)O	238280423	JIZHCWCUBHSUAF-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
COc1cc(Br)ncc1B(O)O	238460642	WKLLZUFGEZIBDD-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
CC[C@@H](SCC(=O)N(C)C)C(=O)NN	300891654	USNYJGBYQUUYLV-ZCFIWIBFSA-N	219.310	-0.424	50	10	BBGE	
O=C(CCl)N1CC[C@@H](O)[C@@H](CO)C1	307642601	MDXBYWAYVLGQLA-RNFRBKRXSA-N	207.657	-0.573	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](N2CCCC2)C1	382620552	YSDGMXSUVRESRJ-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C(=O)NC(=O)[C@H]2C1	388103275	VBOBEEYBBLLUJX-ACZMJKKPSA-N	227.651	-0.678	50	10	BBGE	
COC(=O)NNC(=O)CC[S@@](C)=O	388626977	JKSSFAAQZNAQIY-CYBMUJFWSA-N	208.239	-0.858	50	10	BBGE	
Cc1nnc(CCN2CC(=O)OC(=O)C2)s1	392096254	SUTLAYCACAFHOH-UHFFFAOYSA-N	241.272	-0.226	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCc1nc(=O)o[nH]1	392190263	WZGMSJNRPWQBMF-YFKPBYRVSA-N	233.655	-0.104	50	10	BBGE	
CCOc1ccc(B(O)O)cc1CC(C)=O	396074499	GUHHAWMBXDBENI-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
COC(=O)c1ccc(B(O)O)cc1CC(C)=O	396140679	XBFUVASVKNBWHV-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)CC(F)(F)F	396894626	DRSNPDPSRDIUOL-SCSAIBSYSA-N	227.186	-0.319	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401710294	SRQVXKGJVQUGFH-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[S@@](=O)Nc1ccc(F)c(B(O)O)c1	404831358	UXSBEAGTTUNHFS-CQSZACIVSA-N	217.030	-0.789	50	10	BBGE	
Cc1c[nH]nc1CN1CC[C@H](B(O)O)C1	585074681	BLZWKCCBRJOTQS-QMMMGPOBSA-N	209.058	-0.233	50	10	BBGE	
CCCN(CC(C)(C)O)[C@H](C)C(=O)NN	689926676	BKGDDYWMHYLLSP-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
N#CC1(O)CCN(C/C=C\C(=O)O)CC1	692168108	RQDBAQNLCGHJPB-UPHRSURJSA-N	210.233	-0.022	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cc(B(O)O)cn2)O1	694562381	AEVBQEAMMWXHCD-CBAPKCEASA-N	210.042	-0.870	50	10	BBGE	
CC[C@@H](CCl)NC(=O)c1nnn(C)n1	697204267	OZAWBXUYHBYMKZ-YFKPBYRVSA-N	217.660	-0.043	50	10	BBGE	
Cc1nnc(O)c(C(=O)NNC(N)=S)c1C	700840927	IRYVAFKELGRJRU-UHFFFAOYSA-N	241.276	-0.723	50	10	BBGE	
Cn1cc(CCN2[C@H]3CC[C@H]2C(=O)OC3=O)cn1	703436447	QTDLVDNHDRFTSU-UWVGGRQHSA-N	249.270	-0.121	50	10	BBGE	
CCC(O)(CC)CN(C)CC(=O)NNC(C)=O	706386721	OFURIQXLPLNYQP-UHFFFAOYSA-N	245.323	-0.363	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](CO)C1	708140153	VNCJWZNDNUCPPH-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(C)[C@H]1C(=O)O	709908475	FOXUXSXWTKIQEV-ZCFIWIBFSA-N	215.253	-0.032	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](F)[C@H](F)C1	714557813	FUTBLAOUKHYEDR-QYNIQEEDSA-N	207.224	-0.253	50	10	BBGE	
CC(C)NC(=O)NCc1cnc(B(O)O)s1	718813131	BWMBIQOGWJTQIA-UHFFFAOYSA-N	243.097	-0.970	50	10	BBGE	
C[N+]1=C(N[S@@+]([O])(=O)CCCl)N=NC1	725560607	UZFHQDRBKXQRRL-UHFFFAOYSA-O	225.681	-0.004	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cnn(C)c1	735512846	ONJKIODSNGOPKT-HTRCEHHLSA-N	237.263	-0.228	50	10	BBGE	
COC[C@](C)(O)C(=O)NNC(=O)CCC(C)C	754998263	YWMBWKWPMCIBCH-NSHDSACASA-N	246.307	-0.033	50	10	BBGE	
CC(C)(O)C(=O)NN=C1CC(=O)N2CCC[C@@H]12	799486352	YFSXALAQCWCJJU-QMMMGPOBSA-N	239.275	-0.376	50	10	BBGE	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1	864231361	MBPHRFMCSHKSKF-XSSZXYGBSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1C[C@H](C)CO1	910181667	DFNRKYFUDYDHFV-XHNCKOQMSA-N	216.281	-0.245	50	10	BBGE	
Cc1c(C(=O)NN(C)C[C@H](C)O)nnn1C	1119643255	AGQXJIUSZAKQNK-LURJTMIESA-N	227.268	-0.919	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1	1136378809	OCNPAEHCWBQROD-SSDOTTSWSA-N	239.279	-0.441	50	10	BBGE	
CON=CC(=O)NNC(=S)NC(C)C	1463687075	OZAFTTRVKRGDFT-UHFFFAOYSA-N	218.282	-0.478	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1cccnn1	1471586479	UQQVUQYAYMRQDV-QMMMGPOBSA-N	238.247	-0.601	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H](C)CC(N)=O	1583869937	IMAUVIBNZUAPBV-LURJTMIESA-N	230.268	-0.763	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1877521453	UDHALRWXECXJME-YTLHQDLWSA-N	204.657	-0.544	50	10	BBGE	
Cn1nnnc1CCNC(=O)CCl	1881886333	HWFUAGKNSSWWHV-UHFFFAOYSA-N	203.633	-0.892	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1([C@H](O)CO)CC1	1882988608	LYLSKNHHDGPEIL-PHDIDXHHSA-N	207.657	-0.384	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2NC(=O)O[C@@H]2C1	1884553572	JVHSYQUSLOZWLB-HSUXUTPPSA-N	218.640	-0.067	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@@H]2Cl)CNC1	1893469493	JUAXIRQDIJXCAJ-BQBZGAKWSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](COC[C@@H]1C[C@H]1C(=O)NN)N(C)C	1893887824	AGBWJVGWOGDFIP-HRDYMLBCSA-N	215.297	-0.421	50	10	BBGE	
OB(O)c1cc(NN2CCCC2)ncc1F	1903010511	QLKDCNZQFGYQSM-UHFFFAOYSA-N	225.032	-0.677	50	10	BBGE	
CCC#CCOc1cc(B(O)O)c(F)cn1	1903022809	GBNLTSOZEMMYEV-UHFFFAOYSA-N	223.012	-0.307	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@H](O)[C@H]1CF	1905071916	QXQICAUNJSMEAD-FKSUSPILSA-N	222.647	-0.507	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2cccnc2=O)C1	1908357879	KPUCEPMMMMGQHB-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CON(C[C@@H]1CC[C@H](C(=O)NN)O1)C1CCC1	1908715077	CEUWAOWTFLWBCZ-VHSXEESVSA-N	243.307	-0.060	50	10	BBGE	
COC[C@H](O[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)NN	1913347468	BNYDTIVOHUAQKF-XKNYDFJKSA-N	226.276	-0.028	50	10	BBGE	
CC(C)(CN1CC[C@@]12CCOC2)C(=O)NN	1915572198	FBSJVJXINKYPJK-NSHDSACASA-N	227.308	-0.133	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1	1917096970	MXJHKYDVYXHDRZ-NSHDSACASA-N	245.286	-0.038	50	10	BBGE	
COC1(C(=O)N2CC=C(C#N)CC2)CNC1	1917739363	UOCBNZCSYMJDRL-UHFFFAOYSA-N	221.260	-0.343	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CN(C(N)=O)C1	1917791330	IYCFQAWEBLXHJD-SCSAIBSYSA-N	205.645	-0.507	50	10	BBGE	
CCNC(=NC)N1CCC(O)(C#N)CC1	1924587178	IOJSBXWVAJMRDL-UHFFFAOYSA-N	210.281	-0.068	50	10	BBGE	
CN(C)C(=O)CSC[C@@H]1C[C@@H]1C(=O)NN	1927917758	MPXZJORVLVBQOB-BQBZGAKWSA-N	231.321	-0.566	50	10	BBGE	
C[C@]1(OCCCC(=O)NN)CCOC1	1928534509	OVVWYNVRMBHANZ-VIFPVBQESA-N	202.254	-0.048	50	10	BBGE	
CN(C)NC(=O)[C@]1(C)C[C@@H](N)CCO1	1929653154	HGFRRPJRFBPRLE-CBAPKCEASA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](C(F)F)C1	1930266146	FJKFJDXFZXKHJC-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
CC(C)[C@]1(O)CCN([C@H](C)C(=O)NN)C1	1930890246	ONQIZWMCXZPJIG-SCZZXKLOSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCOC[C@H]1COCCCO1	1933318264	USJUKUUUTXZGHZ-MRVPVSSYSA-N	218.253	-0.812	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NNCCO)C2	1935038308	FSILYMKZMFYLDE-WFRXLMHJSA-N	214.265	-0.443	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]1CCO	1936094363	MMRRTARROQMUHP-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1936235516	IVDMVYIJMHJHPI-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C(=O)C1	1936532552	WVDJOBGWLLNCSM-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1936764903	AEGSRHYVXVKAGN-NGZCFLSTSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSCCCON)O1	1936841437	NNAKYOGRQTWDCO-YUMQZZPRSA-N	249.336	-0.463	50	10	BBGE	
Cn1nnnc1CN1C[C@H]2C[C@@]1(CCl)CO2	1938148969	RVTBNWKBEOGQAX-VXNVDRBHSA-N	243.698	-0.208	50	10	BBGE	
CSC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	1939043280	ZIRWLUDFRFQZHU-CBAPKCEASA-N	245.348	-0.429	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941088368	PXNYNAYTNZRCJY-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CN(Cc1ccn(C)n1)C[C@@H]1C[C@@H]1C(=O)NN	1941088810	RZVNXQFSEOIFHO-WPRPVWTQSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2OCCO[C@@H]2C1	1944743838	ILIKMPJOYDMAKH-AOOOYVTPSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C(=O)N1C[C@]23CCC[C@]2(COC3)C1	1947541501	XAEIXBNIANDZJE-PHIMTYICSA-N	239.275	-0.995	50	10	BBGE	
C[C@H](CCC(=O)NN)Oc1cccn(C)c1=O	1950722811	RREYZXYUYUHZNW-MRVPVSSYSA-N	239.275	-0.077	50	10	BBGE	
C[C@H]1C[C@H](CN2CC(=O)OC(=O)C2)CO1	1958073558	OYYXTKSKSSVOSA-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
Cc1ocnc1CN(C)[C@@H](C)C(=O)NN	1958689445	FKECAFJMWVTCJM-LURJTMIESA-N	212.253	-0.207	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@@](O)(CO)COC	1958820524	YDJBEFPXDVQIAZ-VXNVDRBHSA-N	239.699	-0.510	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)c1cnn(C)c1	1980917406	PXZUPNPMCWDJGB-UHFFFAOYSA-N	225.296	-0.128	50	10	BBGE	
Cn1ncnc1N1CCN(CCCl)C(=O)C1	1981018967	HJPOZBHKIDGMIP-UHFFFAOYSA-N	243.698	-0.298	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H](O)[C@H]1C2	1983568529	VGFCCMLFYQORKL-IGORNWKESA-N	225.292	-0.933	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@H]1F	1984338827	YIHFCGYMSNQTTH-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cc(C(=O)NN)co1	1985740204	GOGXTEKHXDRMRQ-RCOVLWMOSA-N	225.248	-0.552	50	10	BBGE	
CC[C@@H](CN(C)[C@H](COC)C(=O)NN)OC	1987959753	XIBGOAZWSWBRNA-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)C=CC(=O)Cl	1992051950	CKLRBYULCQFJCQ-UHFFFAOYSA-N	243.654	-0.510	50	10	BBGE	
C[C@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1O	1992071923	YOSZVULSNMDMNF-BDRIAGRASA-N	247.678	-0.348	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CC1(C(=O)NN)CC1)C2	1997869233	YPMWOXNZMRHDAY-ZJUUUORDSA-N	238.335	-0.608	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@]1(C)CO	2003268016	LWZWAYKDZGQJAR-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1ccc(B(O)O)cn1	2004911766	KPZJFKBKLKCBTE-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
Cc1ccnc(N2C[C@H]3CC[C@H]3C2)c1B(O)O	2004918079	HEPGUEYYLKQFBF-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCOCC2)O1	2018243525	UHEBKMSWRDKFGX-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CO)N(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018243531	UJLJTAJTYVTSQJ-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2019219971	SQAHHAUPJYGUII-QPJWQJBDSA-N	237.303	-0.260	50	10	BBGE	
C=C(CN(C)C[C@@H]1COC(C)(C)CO1)B(O)O	2021157509	NIHNKBHMKIMWAS-SNVBAGLBSA-N	243.112	-0.320	50	10	BBGE	
C=C(CN(C)C1C[C@H](OC)[C@@H](OC)C1)B(O)O	2021164792	MIIGQIBFLQAPCZ-QWRGUYRKSA-N	243.112	-0.321	50	10	BBGE	
NNC(=O)c1cc(CN2[C@H]3COC[C@H]2C3)on1	2021413256	TYIKMXVDBMJEKV-RNFRBKRXSA-N	238.247	-0.749	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@]1(C)COC	2024856461	VWPCDFGIFIESFI-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cncnc1N1CCC2(CCC2)CC1	2052472763	SONHDEGFBDAJFR-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
O=Cc1cc(F)c(B(O)O)cc1Cl	2060110068	JGENMUQEEXGQNT-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
N#Cc1cc(B(O)O)cc(F)c1OC(F)F	2060262635	VIBNNMOSPBNDMP-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
NNC(=O)C1(CN2CCC23COC3)CCC1	2212249092	KFYOKNJXSAOJBD-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H]2C[C@@H]2C1	2212272786	BHONDNZVDFFTQJ-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
OB(O)c1ccc(OC2C[C@@H]3C[C@H]3C2)nc1	2212293982	OFZWPHYHLFBGDH-YUMQZZPRSA-N	219.049	-0.061	50	10	BBGE	
CCOc1ncc(CN(C)CC(=O)NN)s1	2212569594	OAFMQKFQDCFEGV-UHFFFAOYSA-N	244.320	-0.037	50	10	BBGE	
CN1CCC(COC[C@H]2C[C@H]2C(=O)NN)CC1	2214843316	NPXJOCMPEBCHLA-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
CNC(=O)CCN(C)C[C@H]1CC[C@H]1C(=O)NN	2215772232	MTQNUCVZPXZIMK-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CC1(C(=O)NN)CCC1	2216490342	CGBWRLMZAGINEG-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCCCC(F)F	2216499644	JAUTUUPLYGZHJS-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
OB(O)c1cnc(=NCC[C@H]2CC23CC3)[nH]c1	2217175651	LPLURAADDBNETP-QMMMGPOBSA-N	233.080	-0.820	50	10	BBGE	
Cc1cnc(N2CCCOCC2)cc1B(O)O	2217181053	XPYAPEXEJYSJTI-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
Cc1cnc(N[C@@]2(C)CCNC2)cc1B(O)O	2217182768	CSXNSGLWRWHILE-NSHDSACASA-N	235.096	-0.766	50	10	BBGE	
Cc1cnc(OCCNC(C)C)cc1B(O)O	2217185293	VBEAGXRYILMCIQ-UHFFFAOYSA-N	238.096	-0.553	50	10	BBGE	
CCNC[C@H](CC)Oc1cc(B(O)O)ccn1	2217186608	MARQCTFZNSBCLF-JTQLQIEISA-N	238.096	-0.472	50	10	BBGE	
CC(C)[C@H](Oc1cc(B(O)O)ccn1)[C@H](C)N	2217191185	RHEHJKQFDFEPQI-KWQFWETISA-N	238.096	-0.488	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cn[nH]c1	2217195290	IEVCMXAJMGXCSM-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
CN(CCOC1CC1)c1cc(B(O)O)ccn1	2217199141	KHTOQSCHSMOELQ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C#CC[C@H](C)CN(C)c1ncccc1B(O)O	2217201224	OVNMWYRRHOMXOJ-JTQLQIEISA-N	232.092	-0.143	50	10	BBGE	
CC(C)[C@@H](N)CCNc1ncccc1B(O)O	2217201310	XMPRAVYBLYOOOI-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
CC1(C)C[C@H]1CCn1cc(B(O)O)cnc1=O	2217409961	ZGIQOPYYCYTDCB-MRVPVSSYSA-N	236.080	-0.641	50	10	BBGE	
CC(C)(Nc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2223625644	FEQWLGRNFXWZDB-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
Cc1nc([C@H](C)Nc2ccc(B(O)O)cn2)n[nH]1	2223640810	YPROXYYGEKZCNZ-LURJTMIESA-N	247.067	-0.639	50	10	BBGE	
Cc1nc(CNc2ncccc2B(O)O)c(C)o1	2223644912	PHQOXNSLXSYBCU-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3CC[C@H]2O3)c1	2223673217	FAMXMOSGDDTWAV-JMJZKYOTSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]3CC[C@H]2N3)c1	2223675773	UBLFKGWKBGNNKN-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
O=S(=O)(NC1CC1)N1CC(Cl)C1	2241353614	JUAIKZZSBCSLLE-UHFFFAOYSA-N	210.686	-0.094	50	10	BBGE	
O=C(NC[C@H]1CCNC1)C1(B(O)O)CCC1	2243363270	DDMBFKQPXKQIIH-QMMMGPOBSA-N	226.085	-0.891	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCN1	2243366120	XODKOPBQFDEFNN-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
CC#CCNC(=O)c1scc(C)c1B(O)O	2243378004	LCIJGAJUAVTMMC-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
O=C(NCc1cnc[nH]1)C1CC(B(O)O)C1	2243392065	QZBSDFZFVZLJDA-UHFFFAOYSA-N	223.041	-0.721	50	10	BBGE	
CC(C)N(C)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243395836	CJUJCTYQEFXZND-IUCAKERBSA-N	228.101	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CSC[C@H]2C1	2243395929	FAGHBFBJZNRBKF-XAVMHZPKSA-N	241.121	-0.329	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C1CC1)C(=O)C#CB(O)O	2243401428	QYHBPQTYBCPVTH-NXEZZACHSA-N	221.065	-0.494	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccccn1	2243404553	QDMJGGDQVCPMGT-JGVFFNPUSA-N	220.037	-0.093	50	10	BBGE	
CC[S@](=O)CCNC(=O)C1(B(O)O)CCC1	2243411051	MZYSCKWALLSLRT-INIZCTEOSA-N	247.125	-0.732	50	10	BBGE	
CC1(NC(=O)C2CC(B(O)O)C2)CC(O)C1	2243416394	KEYIEHFLSRVJOB-UHFFFAOYSA-N	227.069	-0.731	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CO[C@@H](C2)C1	2243426327	GQTXYQILADZYIM-MAUMQABQSA-N	225.053	-0.903	50	10	BBGE	
Cn1nnc(CN)c1C(=O)N[C@H]1C[C@H](Cl)C1	2243968463	NRDOEPBZCBGRHO-IZLXSQMJSA-N	243.698	-0.227	50	10	BBGE	
CCCN(C[C@H](C)O)C[C@@H]1C[C@@H]1C(=O)NN	2244879348	KFRRJEMPVHSUMU-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(CCN1CC[C@@]2(O)C[C@@H]2C1)C(=O)NN	2246743643	OBDUDOXKDYQPIS-BXKDBHETSA-N	241.335	-0.151	50	10	BBGE	
O=C(N1CCC[C@@H](CO)C1)C1(B(O)O)CCC1	2247736227	SRBHZIAYBHMGSE-SECBINFHSA-N	241.096	-0.386	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)o2)n[nH]1	2247738143	NGHIJDFCIJHLID-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C#CC1(CNC(=O)c2csc(B(O)O)c2)CC1	2247740675	NWYCWZOGBAEFFO-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1occc1B(O)O	2247751375	WXDFGTSCKXFABW-KCJUWKMLSA-N	237.064	-0.122	50	10	BBGE	
O=C(N1C[C@H]2COC[C@@H](C2)C1)C1(B(O)O)CC1	2247754314	FGRFRAYRBFCOIK-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C(=O)C1(B(O)O)CC1	2247757081	OHYJYGVTQRODLJ-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CC[C@]1(N)CCCN(C(=O)C2(B(O)O)CC2)C1	2247758654	VOSAKNBIDUDHQP-JTQLQIEISA-N	240.112	-0.277	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)no1	2247787828	VMVQIZUWDNGLLQ-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247799566	FOLUUMCWPWFIDC-RZEHBIPHSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)C1CC(B(O)O)C1	2247808956	NJSTVLBCUKNOSJ-AJIVMACJSA-N	241.096	-0.483	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ccc(B(O)O)cn1	2247846785	MDQPYJZRLOKUPO-QMMMGPOBSA-N	236.080	-0.463	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCNC1	2247855618	VISRQVDVLMDYNN-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCCCF)c1ccc(F)c(B(O)O)c1	2247867546	HXFSPJVNZRTMIR-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
C=CCCNC(=O)c1cccc(B(O)O)c1F	2247871201	XKEBMJYOINFOAZ-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H](O)C1)C1(B(O)O)CC1	2247879860	YKZDFVKNALOOLF-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
CC(C)C1(O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247886432	BPBXDHYMEXNENB-KYZUINATSA-N	241.096	-0.531	50	10	BBGE	
Cc1ncc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)o1	2247886853	HCEVBAVACRAFHQ-RKDXNWHRSA-N	238.052	-0.495	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247899143	KSTBEKYGHUHFLS-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
COC[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909036	DMZZSJVEQJKDKE-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](F)CNC(=O)Nc1ccc(B(O)O)cc1	2247971573	NUMRHXCGHGJAPN-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
CC#CCC(=O)Nc1ccc(F)c(B(O)O)c1	2248445101	ICZXWSOIZZSFKC-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
O=C(NO)c1ccc2cc(B(O)O)ccc2c1	2248577941	QHEULIHRMAJJNF-UHFFFAOYSA-N	231.016	-0.361	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248587630	RZRDMCMFVZTVCP-ULAWRXDQSA-N	241.052	-0.829	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC2(CC2)C1	2249416794	XHGITOHNISMSFD-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C#CC1(Nc2ncccc2B(O)O)CC(C)C1	2250666450	HRMHGEKMKSNPRB-UHFFFAOYSA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1ccc(OCC23CC(CO2)C3)nc1	2251181367	MMVIDOPSVPARCE-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@@H](C)C#N)c1	2255512310	XUBOPLJJVBXURJ-VIFPVBQESA-N	246.075	-0.436	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1cncc(B(O)O)c1	2255717798	ONTTVBLCCLQISP-UFBFGSQYSA-N	248.091	-0.463	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc(C(=O)O)c1	2256918443	KRAXTCDCISGREV-UHFFFAOYSA-N	247.015	-0.984	50	10	BBGE	
CCc1nn(Cc2ncco2)c(CC)c1B(O)O	2260805364	XCPJYVBNQCHQPY-UHFFFAOYSA-N	249.079	-0.276	50	10	BBGE	
CN(C[C@@]1(C)CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2298371651	QYOSFEHGGBUUOK-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN(CCO)C1CC1	2300395541	CZLPBAAEPQAJEZ-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
O=C1CN(C2Cc3nccnc3C2)CC(=O)O1	2306808051	WCYDSMAOXIUSKK-UHFFFAOYSA-N	233.227	-0.671	50	10	BBGE	
NNC(=O)CN1CC[C@H](C2CCC(O)CC2)C1	2307607622	IEUAJHDOHBGUPS-YVNMAJEFSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@@H]21	2312517065	PYVGVPQPAWVSNK-JGCWNDTHSA-N	249.314	-0.131	50	10	BBGE	
NC[C@H]1C[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317311854	WMAWEFCIXIXWOE-ZJUUUORDSA-N	248.091	-0.814	50	10	BBGE	
C=CC[C@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2321007366	AIAPQFBKAQWLRM-GXSJLCMTSA-N	248.091	-0.236	50	10	BBGE	
CC(=O)NNC(=S)NC[C@H]1CCCO1	5518468	ZRQHRKJRAQUGHH-SSDOTTSWSA-N	217.294	-0.319	50	10	BBGE	
CCCCC(=O)NN[C@H]1CCS(=O)(=O)C1	5614682	NAMMASGWVFJVMY-QMMMGPOBSA-N	234.321	-0.016	50	10	BBGE	
O=C(CCl)NC(=O)N1CCOCC1	36905951	ABOHCSUODHTSJZ-UHFFFAOYSA-N	206.629	-0.206	50	10	BBGE	
COCCNS(=O)(=O)CCCl	59835115	LPGPGLLIIIOYQR-UHFFFAOYSA-N	201.675	-0.209	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)CC1=O	84208590	MUUBFRQSJNZZDF-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
O=C1CC[C@@H](NC(=O)CBr)C(=O)N1	84404583	OCZXUXNTEJVQFU-SCSAIBSYSA-N	249.064	-0.697	50	10	BBGE	
NNC(=O)Cn1c(C(F)(F)F)cccc1=O	88137424	YCAJTACNMOSNRG-UHFFFAOYSA-N	235.165	-0.143	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(O)CCCC[C@H]2C1	161967633	OQNMDSLRYXZOAF-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
Cc1c(C)c(=O)n(C[C@H](O)CCl)[nH]c1=O	163068531	AULKWRFDGSUSGG-SSDOTTSWSA-N	232.667	-0.247	50	10	BBGE	
O=c1[nH]c(=O)c2nc(CCCl)[nH]c2[nH]1	165858386	SEAJHNAIKHHNST-UHFFFAOYSA-N	214.612	-0.279	50	10	BBGE	
O=C(CN1CCOCC1)NNC(=O)C1CCC1	171944284	AGSDOCKUKDLHQW-UHFFFAOYSA-N	241.291	-0.734	50	10	BBGE	
Cc1ccnn1CCOc1ccc(B(O)O)cc1	203619633	BGNWBJUASRQWII-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCO[C@@H](C)C1	232419529	XQSNDYMLJGNPKN-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CNNC(=O)c1ccc(OC)c(N)c1N	238308261	KUMPTLLEZOBKGC-UHFFFAOYSA-N	210.237	-0.276	50	10	BBGE	
COC(=O)Cc1ccc(B(O)O)cc1Cl	238389805	VRGWSPMUCHERCE-UHFFFAOYSA-N	228.440	-0.265	50	10	BBGE	
Nc1cc(C(F)(F)F)ncc1B(O)O	238618143	OQGFZACYANHLHU-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OB(O)c1ncncc1-c1ccccc1	238639579	FLWBOAAZIGCRLC-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
O=c1[nH]c2ccc(Cl)cc2cc1B(O)O	238642715	DYTFHFKMXCDWTJ-UHFFFAOYSA-N	223.424	-0.139	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1CCO	251540803	JENPWCGUZDLWIG-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2cnccn2)CS1	274758439	QHVDALUYETWDHR-YFKPBYRVSA-N	239.260	-0.255	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ncncc2F)CO1	294173571	WJGNGPOAAOTIES-RXMQYKEDSA-N	241.182	-0.833	50	10	BBGE	
CCN(C[C@@H](C)C#N)[C@H](COC)C(=O)NN	299996894	MWHYLAAZFKQDTG-DTWKUNHWSA-N	228.296	-0.527	50	10	BBGE	
CC[C@@H]1CN(C)CCCN1[C@H](C)C(=O)NN	300354196	CHDWZPRIKJRKSC-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cc2cc(O)c(O)cc2s1	307185272	HQCRHVDYNYQEJY-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Nc1cc(B(O)O)cc2scc(O)c12	307558380	MRENNMVTVFQLHZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)C(=O)NN	307772388	VNZQPSDRWOZRDT-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N(C)C)[C@H]1C	309811311	WNRKQWOKTZFDRN-HLTSFMKQSA-N	214.313	-0.611	50	10	BBGE	
CC1CC(NNC(=O)[C@@H]2COCCN2)C1	381553654	NTWGEOCVLGGEQL-HACHORDNSA-N	213.281	-0.606	50	10	BBGE	
COC(=O)NNC(=O)NCCNC(C)(C)C	381694376	HDFBQYDSYHBNFA-UHFFFAOYSA-N	232.284	-0.055	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCOC1)C(=O)NN	398838717	LBPLZNYUWUCZMM-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
COCCC(=O)Nc1ccc(B(O)O)cc1	405006622	NEYDSZMAEHAREC-UHFFFAOYSA-N	223.037	-0.659	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccoc1	405008425	OGZKHBNCPFSCFE-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C1NCNN2[C@H]1CC[C@H]2Br	575626325	DUBMIRUXRQAUHU-WHFBIAKZSA-N	220.070	-0.236	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C(=O)OC[C@@H]1O	675079976	KGDMOYQOMNYRGF-YUPRTTJUSA-N	207.613	-0.984	50	10	BBGE	
C[C@@H](CO)CN(C)CCCCC(=O)NN	688394271	FSUWXUPZPMLADZ-SECBINFHSA-N	217.313	-0.293	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H](N)C2)cs1	689551355	GODQCFXOSDVDFS-QMMMGPOBSA-N	240.332	-0.115	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]2COC[C@@H]21	690722503	YCMAUSDQKQLAFQ-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CCN1CC(=O)OC(=O)C1)N(C)C	697844596	MXUXTIFQBVZEQV-QMMMGPOBSA-N	214.265	-0.288	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(C)C[C@H]1CO	699492068	VSALTHWBPBOORV-BDAKNGLRSA-N	234.727	-0.004	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H]1CNC(=O)C(=O)NN	699849777	MPNDDZWLHRTKEF-BQBZGAKWSA-N	213.281	-0.225	50	10	BBGE	
C[C@@H](CN1CC[C@H](N2CCC2)C1)C(=O)NN	702300457	LZDIHWXFBCQCEA-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
COC[C@@H]1CCCN1[C@@H](COC)C(=O)NN	702770383	XZLQOBIXYUCTMY-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCCS1(=O)=O	704673147	QJTLAHAYWOFZCT-ZCFIWIBFSA-N	206.267	-0.714	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@H]1CO	708082284	SGHLDMFCDUQAMB-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CN(C)S(=O)(=O)N(C)[C@H]1COC[C@@H]1Cl	709087550	PIHCOVYSJTUQSN-BQBZGAKWSA-N	242.728	-0.269	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@H]1COC[C@H]1O	709111743	WGSWLYSCVVFXDP-LYFYHCNISA-N	207.657	-0.168	50	10	BBGE	
O=C(CCl)N1CCC[C@H](CO)[C@H]1CO	709858900	HLIZYANFCMZLQH-HTQZYQBOSA-N	221.684	-0.183	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H](F)[C@@H](F)C2)n1	714562313	YQHWUGBXXUCRGU-WDSKDSINSA-N	246.217	-0.230	50	10	BBGE	
CCOC(=O)NCc1ncc(B(O)O)s1	714588815	JMUGALHFDVFNLU-UHFFFAOYSA-N	230.054	-0.931	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H](O)CN(C)C	717363574	DYECUXGEMCQHAB-SFYZADRCSA-N	222.716	-0.100	50	10	BBGE	
C[C@@H](CN1CCS[C@H](CCO)C1)C(=O)NN	720093188	XZGPYVNLHMVHDW-DTWKUNHWSA-N	247.364	-0.588	50	10	BBGE	
Cc1conc1C(=O)Nc1cccc(B(O)O)c1	720524730	JDQLRCUMSSELOD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1csc(C)c1S(=O)(=O)NCB(O)O	725077024	HHOMQIDKGBMYAQ-UHFFFAOYSA-N	249.122	-0.345	50	10	BBGE	
C[C@H]1CC(Cn2ccc(B(O)O)n2)C[C@H](C)O1	725123712	CHYPEHOHYRJQEL-IUCAKERBSA-N	238.096	-0.234	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@H]1CO	725628181	LGPPKANRAXTVGM-DSYKOEDSSA-N	207.657	-0.432	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)c2cnn[nH]2)cn1	733954144	LOHARRISJAPDEO-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
O=C1NCC[C@H]1NS(=O)(=O)CCCCl	822123189	PZLZSXKAEYQFAB-ZCFIWIBFSA-N	240.712	-0.577	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)N1CCOCC1	824621933	ZDIZAYOUEFUWIP-MRVPVSSYSA-N	240.263	-0.391	50	10	BBGE	
Cn1cc(C(=O)NN=C[C@@H]2CCCOC2)nn1	853382872	MQADTKHZPZFYIZ-QMMMGPOBSA-N	237.263	-0.043	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C2CC2)C1=O	854155891	YCVXRJLOPNFQKA-UHFFFAOYSA-N	240.263	-0.946	50	10	BBGE	
CCOC1(C(=O)NNC(=O)CN(C)C)CCC1	857109180	KWGGGNGXSWJWNU-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)C1CCOCC1	923058056	UHQLJLLKDNUBJC-HPOULIHZSA-N	242.275	-0.503	50	10	BBGE	
N#CCC(=O)NN=CC=NNC(=O)CC#N	1083995696	LVARAQCLEMEDEF-UHFFFAOYSA-N	220.192	-0.982	50	10	BBGE	
CN(C)C(=O)NNC(=O)C12CCN(CC1)C2	1119526360	BTLGWUMXOLVTPC-UHFFFAOYSA-N	226.280	-0.615	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)C(N)=O	1295202293	ZUWUTCTWYNLLFD-RRKCRQDMSA-N	225.248	-0.357	50	10	BBGE	
COc1nccnc1NNC(=O)Cc1nc[nH]n1	1642919993	LHNUAQYLKYPFCH-UHFFFAOYSA-N	249.234	-0.711	50	10	BBGE	
Cc1cc(C(=O)NNc2nccn(C)c2=O)on1	1650856460	GGAMEYVHGIEUBN-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)CCOC	1881940568	FFBOGSDTZCYDSH-ZETCQYMHSA-N	225.697	-0.207	50	10	BBGE	
O=C(CCl)N1CCC[C@H]1[C@H](O)CO	1882210786	WARRFFKLYKCGJG-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
O=C(NCC(CO)CO)[C@@H]1C[C@H]1Cl	1883638411	FWIRVDBMUAUJLY-RNFRBKRXSA-N	207.657	-0.669	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(F)C1	1885134345	HDRIZFRCFMRVMR-UHFFFAOYSA-N	211.187	-0.345	50	10	BBGE	
C[C@]1(CCl)CN(CC(CO)CO)C1=O	1885364133	IXTXOGQCNJMPIZ-VIFPVBQESA-N	221.684	-0.326	50	10	BBGE	
O=C(NC[C@@H]1COCCN1)[C@H]1C[C@@H]1Cl	1893453178	LBFBLPPOBDLXMO-CSMHCCOUSA-N	218.684	-0.282	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]12	1900558579	NAJWXYNNSCNMCB-RRKCRQDMSA-N	218.684	-0.751	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NN(C)S(C)(=O)=O)CN1	1901340335	CCOKQLJBVFWSJN-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
NNC(=O)CN1C[C@@H]2C[C@H](CO)C[C@@H](C2)C1	1902723189	SCPUSYNQOQQMNX-ILWJIGKKSA-N	227.308	-0.683	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@@H](F)C2)c1	1904914275	VNDLHHSJTOUSQX-OTSSQURYSA-N	225.028	-0.112	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CC#N)C1)C(=O)NN	1915063157	NQQMWTCZGOZPBE-DTWKUNHWSA-N	210.281	-0.152	50	10	BBGE	
O=C=NC1CCN(S(=O)(=O)C2COC2)CC1	1923188976	ISRYBJNYXQAMQD-UHFFFAOYSA-N	246.288	-0.485	50	10	BBGE	
O=S(=O)(N[C@@H]1COC[C@@H]1Cl)C1COC1	1923212216	BQBODXZZMMQATD-NKWVEPMBSA-N	241.696	-0.689	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](N=c2[nH]cc[nH]c2=O)C1	1928756236	SDYKEVAEJGBYES-RNFRBKRXSA-N	228.683	-0.475	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1928757087	AAXMKQLGPBKORR-FSDSQADBSA-N	206.673	-0.595	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1929835619	VIWHLLKZUFWAQS-KVSKUHBBSA-N	220.219	-0.109	50	10	BBGE	
CC[C@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1930888978	AJQDITRRGWVZLO-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCN1CC2(CC=CCO2)C1	1931382735	IMZPQNZANAWCLP-UHFFFAOYSA-N	211.265	-0.603	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1935707249	SEADBIMODIEMJX-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COC[C@H]2C1	1936080639	JYXOJVCWAGULRK-DOLQZWNJSA-N	225.292	-0.809	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093962	JATHIVKCHJUCML-KATARQTJSA-N	227.308	-0.421	50	10	BBGE	
COCCN(C[C@H]1C[C@H]1C(=O)NN)C(C)C	1936094351	MLSWNQCGMGGYGQ-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H](C)COC	1936533950	IWLBQQJSTRCMOE-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1941074042	OPWJREWDELHUHJ-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](CN(C)C[C@H]1C[C@@H]1C(=O)NN)OC	1941088434	QLZKHLWZEUXDHF-UTLUCORTSA-N	245.323	-0.794	50	10	BBGE	
COC[C@@H]1[C@H]2CCN(CCCC(=O)NN)C[C@@H]21	1944580180	MTFOQQANJCIBQB-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CN1CC[C@H]([C@@H]2CCOC2)C1)C(=O)NN	1947535009	CNDVOWLHIYRGCQ-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1COCCCO1	1948399493	BTLWPHQTHVWAGR-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CCN(C[C@H](O)CCl)[C@@H]1C(N)=O	1956256448	OERDYNLXRZRNAU-PRJMDXOYSA-N	220.700	-0.218	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1957559024	GRPYNJUUXKSTJR-BARZSYDPSA-N	233.695	-0.140	50	10	BBGE	
CC(C)C[C@H]1COCCN1CC(=O)NN	1961279124	ZTOLUTCRMRIKHQ-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H]2C[C@@H]21	1961509019	OFLZPTUZKAPDFM-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CC[C@H]1CCN1c1ncccc1B(O)O	1961697404	WZLLVOUNBVLMSL-QMMMGPOBSA-N	206.054	-0.250	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(B(O)O)CC1	1971371973	AYVYWYICKIUZEF-WPRPVWTQSA-N	241.096	-0.123	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]1(C)C(C)=O	1978181963	JRRZBFHMZKRHTB-SNVBAGLBSA-N	227.264	-0.793	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H](CCF)C1	1979205893	TVXYZDCABINDSJ-SECBINFHSA-N	233.287	-0.326	50	10	BBGE	
OB(O)c1ccc(OCC2COC2)cc1F	1980866320	DDDWAKAIIRNBTM-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCOC2)nc1	1981431485	ZLUIPOULPKYIOH-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
Cc1ncnc(N2CC(C)(C)C2)c1B(O)O	1981446520	ZGUHJKRUVZVSIX-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
CN1C[C@H](C(=O)NC2CC(Cl)C2)NCC1=O	1983210543	ADOLAWVKYDNMME-KAVNDROISA-N	245.710	-0.697	50	10	BBGE	
NNC(=O)CCCCN1CCC=C[C@@H]1CO	1985650023	BJDRREOYXTYDQR-SNVBAGLBSA-N	227.308	-0.231	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNC(N)=O)C12CCC2	1988761492	NOPZWSLFYHAYMF-RQJHMYQMSA-N	227.264	-0.109	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990040159	ZTHUGICCZFMSJJ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CCCNC1=O	1991713854	YDNVGBHVCITPDV-SDLBARTOSA-N	244.678	-0.050	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCC12CC2	1992152266	CDJHSPNSJRBUOS-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
C=C(CN(C)Cc1nnc(C)n1C)B(O)O	1992167736	PHUAGRGFJKHOHI-UHFFFAOYSA-N	224.073	-0.876	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](O)C12CCC2	1993528156	HOVHCOPGTHKXFW-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
C[C@]12CC[C@@H]1CN(CCOCC(=O)NN)C2	1995636925	CUTMDKWUAFWOPG-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)c1ccsc1	1996647344	LGOLGIWOSCKQTC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)O)CC(C)(C)C(=O)NN	1997354089	VYZSMVDRGZHVTM-RKDXNWHRSA-N	247.339	-0.934	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC(N(C)C)C2)C1	2000465391	DGERCFOWYIXOLB-SECBINFHSA-N	240.351	-0.219	50	10	BBGE	
Cc1nc2n(n1)CCN([C@@H](C)CC(=O)NN)C2	2003931487	ULTXVFVJRGBFNY-ZETCQYMHSA-N	238.295	-0.829	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1c1ccc(B(O)O)cn1	2004919511	ZUYJOSRRGGEPFS-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
CC[C@@H](COc1ccncc1B(O)O)N(C)C	2008532047	UYXNYKSLZXKXDA-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
C[C@H](CC(F)F)Cn1cccc(B(O)O)c1=O	2008844701	REAQSTBVRVYKMG-SSDOTTSWSA-N	245.034	-0.181	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](CO)CC1(C)C	2012364561	RLSCBODGDBGWJR-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COC[C@@H]21	2013468824	QARZDCKHSWUSMK-JQWIXIFHSA-N	233.076	-0.803	50	10	BBGE	
O=C(NCC=CB(O)O)c1noc2c1CCC2	2020060052	SPEVLACTAPYXBT-UHFFFAOYSA-N	236.036	-0.539	50	10	BBGE	
COc1nc(O[C@@H]2CC2(C)C)ncc1B(O)O	2023144085	RXVUTMQALRSTHQ-SSDOTTSWSA-N	238.052	-0.658	50	10	BBGE	
COC[C@@H](C)COc1ncc(F)cc1B(O)O	2026061500	GRTFRQBIRHFLOK-SSDOTTSWSA-N	243.043	-0.438	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]3C[C@H]2CO3)cc1	2035544587	OXKQZLPEYHFYIA-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
CN1CCN(Cc2ccccc2B(O)O)[C@@H]2C[C@H]21	2049379043	HFAMBKGRRGDEPN-CHWSQXEVSA-N	246.119	-0.745	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2OCC[C@@H]2C1	2052032932	GGKALNBBGBBDRN-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
CC1C[C@@H]2CC[C@H](C1)N2c1ncncc1B(O)O	2052469558	SECMJLWZMGOYJU-PBINXNQUSA-N	247.107	-0.076	50	10	BBGE	
OB(O)c1cncnc1OCc1ccccc1F	2052494925	TVKDMUAGDWYJKH-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C)[C@H](C)C2)n1	2052624137	DFUDQTJWRBSPPS-DTWKUNHWSA-N	249.123	-0.053	50	10	BBGE	
C[C@H](CN1CC(O)(c2ccccc2)C1)C(=O)NN	2057647033	AQCONDREDZFQMD-SNVBAGLBSA-N	249.314	-0.184	50	10	BBGE	
COc1cc(C#N)c(B(O)O)cc1[N+](=O)[O-]	2060290063	MKIXHLLXRZXCFD-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)c(C)n1	2069481390	UUIZEAMTLMAHRS-JGVFFNPUSA-N	249.079	-0.551	50	10	BBGE	
N#Cc1cnn(C[C@H]2CCC[C@H](C(=O)NN)O2)c1	2073540184	HUTBCSBIXBZHSH-NXEZZACHSA-N	249.274	-0.318	50	10	BBGE	
COCCCN(C)Cc1nscc1B(O)O	2211137521	HWICZLHBUJAPSH-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CN1CC[C@@H](COC[C@H]2C[C@H]2C(=O)NN)C1	2211768197	JVUPDXLOJPYVBF-OPRDCNLKSA-N	227.308	-0.419	50	10	BBGE	
C=C(F)CS(=O)(=O)N[C@H]1CCC=C1B(O)O	2212129108	LCEFYFBITJNXIM-QMMMGPOBSA-N	249.072	-0.510	50	10	BBGE	
C#CC[C@@H](C)CNc1ncccc1B(O)O	2212602304	BNHYYPWLUYKZGL-SECBINFHSA-N	218.065	-0.167	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncc(B(O)O)cn2)[C@@H]1C	2212603433	GACBFPHQFGWFOG-ZXFLCMHBSA-N	221.069	-0.387	50	10	BBGE	
CC[C@](C)(O)CNc1cc(B(O)O)ccn1	2212610835	PUKBASSEZJASNO-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@@H]2O)c1	2212615319	NEHNHYVAHYYFGC-IUCAKERBSA-N	222.053	-0.913	50	10	BBGE	
CN(CCCC(=O)NN)c1ccc(=O)n(C)c1	2213168660	TZTGFCLPSGLQPV-UHFFFAOYSA-N	238.291	-0.408	50	10	BBGE	
CCn1ccn(C[C@H]2CC[C@@H]2C(=O)NN)c1=O	2215771599	IXRBCCSLBRCBGO-BDAKNGLRSA-N	238.291	-0.314	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(O)(C2CC2)C1	2215773293	ASQDPWZRXHHXTG-WPRPVWTQSA-N	239.319	-0.541	50	10	BBGE	
CCC[C@@H](N)CCOc1ncccc1B(O)O	2217187473	ZEUWPAUKUCUYPQ-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
NCC[C@H](Oc1ccc(B(O)O)cn1)C(F)F	2217190042	KKSQBEMCHLQLIL-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
NCCC1CC(Oc2ccc(B(O)O)cn2)C1	2217190735	FTSOROROBDUEKL-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCC=CO2)c1	2217195418	KABOXFZLQGMDHU-SNVBAGLBSA-N	234.064	-0.134	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Nc1cc(B(O)O)ccn1	2217195949	BCZJPFGGHYXYIR-DTWKUNHWSA-N	235.096	-0.701	50	10	BBGE	
NNC(=O)C(=O)N1[C@H](CO)C[C@H]2CCCC[C@@H]21	2217332111	PKQAADVGBKZXAQ-VGMNWLOBSA-N	241.291	-0.872	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1ccon1	2220060768	ZKWFLQSRLNXUQN-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2220797449	VRMZEFFQJRPCCW-JFUSQASVSA-N	248.091	-0.483	50	10	BBGE	
Cc1cc(NC(=O)c2ccno2)ccc1B(O)O	2222242702	MUQXULRGDMZMQC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@H]3C[C@@H]2C3)c1B(O)O	2222310834	HBTXMMNXICABML-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3CCC[C@H]32)[nH]c1	2223633834	BTBAFODDIJAROJ-WCABBAIRSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(=NCc2ccc(F)cc2)[nH]c1	2223666187	KRGKVKKJULZDTR-UHFFFAOYSA-N	246.050	-0.066	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)nc1	2223669020	FGFDONSAGKCSHU-BBBLOLIVSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2C[C@@H]2CO1	2223671935	BZYFOVBRQNOIHN-AEJSXWLSSA-N	248.091	-0.402	50	10	BBGE	
CCN(O)C(=O)c1ccsc1B(O)O	2241468735	UCAQERBKUQMZHF-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
O=C(NCC(F)F)[C@H]1C[C@@H](B(O)O)C1	2241475551	ZVMIAUHCVLXBTH-SYDPRGILSA-N	206.985	-0.379	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1C(=O)NNC(N)=S	2241601063	CPWVWSVEITXVET-SVGQVSJJSA-N	217.294	-0.477	50	10	BBGE	
C[C@H](C#N)CN(C(=O)C#CB(O)O)C1CC1	2243363012	ZVZOYTHXROKLFS-MRVPVSSYSA-N	220.037	-0.848	50	10	BBGE	
COC[C@@H](C)CN(C)C(=O)C1(B(O)O)CC1	2243364896	DXVLGIRBKKJGOF-QMMMGPOBSA-N	229.085	-0.266	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1sccc1B(O)O	2243375441	SZJZVNXPWUMBJM-ZETCQYMHSA-N	237.089	-0.124	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cs1)C(F)F	2243386234	WWAPSBCNMBGHHS-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2243390795	BMDHJWHKMROUNV-NRPADANISA-N	227.069	-0.465	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2243396653	PBFMUPIDUGDVDC-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)C1(B(O)O)CC1	2243399106	WRALDAXBOFMCRB-WUSGRAFWSA-N	221.065	-0.236	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243404730	SWAOTIOREUYCCF-RYPBNFRJSA-N	226.085	-0.955	50	10	BBGE	
CCOC(=O)c1ccc(OC)cc1B(O)O	2243460035	KDYFFNYVOQBFQQ-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
CC#CCC(=O)NCc1cc(B(O)O)cs1	2243702304	NBISSVLZUBRUQV-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247746746	CXLKVSZRNQYPJE-QMMMGPOBSA-N	236.080	-0.433	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2247746961	HADINBSPXVTVPW-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
COC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2247751603	ZKECDOJLCFDMTH-DTWKUNHWSA-N	241.096	-0.266	50	10	BBGE	
O=C(N1CCC[C@]12CCNC2)C1(B(O)O)CC1	2247753751	BZQRXFAGRJUGDZ-SNVBAGLBSA-N	238.096	-0.652	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H](CN)C1	2247755039	ILGGULISHJTFOH-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
O=C(NCC1CC2(CCN2)C1)C1(B(O)O)CC1	2247757950	YOAAIRZCPMSAHQ-UHFFFAOYSA-N	238.096	-0.748	50	10	BBGE	
CN(Cc1ccncn1)C(=O)C1(B(O)O)CC1	2247758498	ZSVIJCXTCDNSIN-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247758877	YHPQRMWCCSSMAB-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CCCCN(C)C(=O)c1ncccc1B(O)O	2247771532	WURGHDKEFMJSTP-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247786113	WBTSXMPBRZTIBU-BZNPZCIMSA-N	244.075	-0.944	50	10	BBGE	
CC[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCNC1	2247786640	DNEVJFVNNBCPNB-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786648	DRIDIZKOIHUZRG-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247798037	POHLBLZUBKWDCL-QEYWKRMJSA-N	238.096	-0.846	50	10	BBGE	
CC(C)[C@H](C)N(C)C(=O)c1c[nH]nc1B(O)O	2247798830	XMVOGISBTRJCHK-ZETCQYMHSA-N	239.084	-0.794	50	10	BBGE	
CC12CC(CNC(=O)[C@@H]3C[C@H]3B(O)O)(CO1)C2	2247799021	ZDKZANCYYFTVQG-YJTAMFCSSA-N	239.080	-0.465	50	10	BBGE	
CC(C)CN(CCO)C(=O)C1CC(B(O)O)C1	2247800489	POGSORNEXKHDOW-UHFFFAOYSA-N	243.112	-0.284	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247803431	BBAJJYOCYYBAAL-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CO1	2247807480	IKCZMGUQMZVXPJ-HRDYMLBCSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CCO)[C@H]1C[C@H]1B(O)O	2247809095	NTSOSSMCKQYQFW-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](O)c1ccccc1NC(=O)C#CB(O)O	2247850740	SGAHSLBHZPWLPK-QMMMGPOBSA-N	233.032	-0.306	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CNC2)[C@H]1C[C@H]1B(O)O	2247855058	MTUMFEZGRFLSTJ-LOKLDPHHSA-N	238.096	-0.892	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N(C)OC	2247875445	YRKCNALXBZKSSC-UHFFFAOYSA-N	240.068	-0.789	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)[C@H]2CC[C@H]21	2247877345	GRAGTOOUBOAMAY-BDAKNGLRSA-N	238.096	-0.702	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)o1	2247896463	HHZULLWQEAYFOC-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2[C@H](C[C@H]2O)C1	2247900016	SEQOBLOWWVPDPS-MQIGXGKASA-N	239.080	-0.921	50	10	BBGE	
C[C@H](C(=O)O)N(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2248575182	YPFXKSVSIQIDRB-DTLFHODZSA-N	241.052	-0.687	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1ccoc1B(O)O	2255467672	QJFKLBNCTDGPDT-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
CC(C)C1(NC(=O)c2ncccc2B(O)O)CC1	2255518119	HORVCQOMWWGOJR-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCCC12CCC2	2255551017	RJXDQNHRAVBKLK-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncccn1	2255559008	JVCFVDIXEAQWAJ-XHNCKOQMSA-N	249.079	-0.093	50	10	BBGE	
C=CCONC(=O)c1cc(C)c(B(O)O)c(C)c1	2255790655	BAWWGAQZZSZEFH-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2298369188	MFBQXFTUEMGANK-CHIWXEEVSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCOC2)C1	2298376906	WNBCHTJBIBXGIY-IQJOONFLSA-N	239.080	-0.512	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCC(O)CC1	2300395867	GDTJXLGEEMUBAM-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2302018480	QRDRBTLWUIDIST-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
C#CCC(=O)Nc1cc(F)c(B(O)O)c(F)c1	2302409501	YAMMWJNAVYWOAS-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
OCC1(CN2CC[C@@H](B(O)O)C2)CCOCC1	2303160145	UEDTZPGBDPCUSQ-SNVBAGLBSA-N	243.112	-0.676	50	10	BBGE	
O=C(NC1CCOCC1)N1CC[C@H](B(O)O)C1	2303164076	MYQFMOKQJYJLII-QMMMGPOBSA-N	242.084	-0.576	50	10	BBGE	
CC[C@](C)(CN1CC(CO)(OC)C1)C(=O)NN	2303421871	BMGZOHXYFBUDLI-SNVBAGLBSA-N	245.323	-0.914	50	10	BBGE	
COC[C@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2306655100	ITDLVGOTTGZEOR-SNVBAGLBSA-N	242.275	-0.173	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCC(=O)O	2324220748	HCADUERAKCGNKN-UHFFFAOYSA-N	211.221	-0.406	50	10	BBGE	
NNC(=O)CCCC(=O)NCc1ccccn1	58837971	PYJPRGVEVYJMKV-UHFFFAOYSA-N	236.275	-0.142	50	10	BBGE	
CO[C@H]1CCc2c(nc(C(=O)NN)n2C)C1	75848644	YPHNNOMCSIFXIP-LURJTMIESA-N	224.264	-0.473	50	10	BBGE	
CN1CCC(CN(C)CCC(=O)NN)CC1	82469174	OSKNCJZMRULXDJ-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
COCCN(CC(=O)NN)CC(C)C	82469575	SAXJWXHTVAIULZ-UHFFFAOYSA-N	203.286	-0.419	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](N)C1	82470170	MRKRMNVELLUCIV-DTWKUNHWSA-N	214.313	-0.576	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)CCl)C(=O)OC	83365267	CKYSSPLTBKXLFB-RXMQYKEDSA-N	237.639	-0.554	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(NC(C)=O)CC1	127350705	XZBNXEOEYVUESL-JTQLQIEISA-N	242.323	-0.645	50	10	BBGE	
CCc1cccnc1CNC(=O)C(=O)NN	134742552	BIQDSQJLWKAHMW-UHFFFAOYSA-N	222.248	-0.750	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NC(=O)[C@@H](C)N1	140605827	WJKZAPHSOKQRTG-MPLXJBJVSA-N	209.205	-0.607	50	10	BBGE	
COCC(=O)NCCNC(=O)CCCl	169919293	SYNUTAFXHPLLGH-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC[C@@H]2CCCO2)O1	216280072	BRNXMQXVAOUSJO-AEJSXWLSSA-N	244.291	-0.281	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCCCO	227147699	GWLOIHPULIQZIH-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN(C(=O)NN)C1	230916762	DBNYTUWPDCAZKX-QMMMGPOBSA-N	200.242	-0.972	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCCOC1	300020866	RYWKCCXRJFGJRB-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CCNC(=O)CS[C@H](C(=O)NN)C(C)C	300898343	VNSLCKQRCBXVQY-QMMMGPOBSA-N	233.337	-0.130	50	10	BBGE	
COc1cnn(Cc2cc(C(=O)NN)no2)c1	302521831	PDAAKUCZGKYZAH-UHFFFAOYSA-N	237.219	-0.469	50	10	BBGE	
CCC[C@](C)(O)/C(CO)=N/NC(N)=O	308332728	GTTUDVPHPUFRPU-QMEHYBMDSA-N	203.242	-0.446	50	10	BBGE	
CN(C)C1CN(Cc2ccc(C(=O)NN)cn2)C1	382361579	VUUMMPKISBSUIS-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
CO[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@H]1O	395939485	RYCHOOMRLACHAG-IWSPIJDZSA-N	245.323	-0.918	50	10	BBGE	
N#CCc1c(CCC(=O)O)cccc1B(O)O	396140785	XHUDZQNTRJLWPV-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
Nc1c(C(=O)O)cc2ccsc2c1B(O)O	396248567	QDIHLKJRNOOFNU-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(CC(C)(C)C(=O)NN)C1	398801012	IIHFIGNEOREDMU-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CCO[C@@H]1CCCCN(CC(=O)NN)C1=O	399481724	FJZBQAXCVRTDFU-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CN(Cc1csc(B(O)O)c1)[S@](C)=O	404911197	IVKBQLGDVGJALX-AWEZNQCLSA-N	233.123	-0.847	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccco1	404987165	POVBAWBOANYYOI-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C=CCNC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405173428	XLUPJSFIZSFSOF-VIFPVBQESA-N	248.091	-0.087	50	10	BBGE	
CCn1ccnc1CN1CC[C@H](B(O)O)C1	585075177	FHROZKQBZDDKAX-VIFPVBQESA-N	223.085	-0.048	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	695087617	PTMBJBSEVKCILT-AEJSXWLSSA-N	229.324	-0.296	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)C(F)(F)C1	700477592	SFNYBVXFSNRNFJ-YFKPBYRVSA-N	237.206	-0.176	50	10	BBGE	
O=C(NCB(O)O)c1ccc(Cn2cccn2)o1	701961512	WFCWDLAPFNETMU-UHFFFAOYSA-N	249.035	-0.734	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCB(O)O	702031257	VVMALTQXHVDSPD-HRDYMLBCSA-N	228.101	-0.624	50	10	BBGE	
CN(CCC(=O)NN)CC1(C)COC1	702970409	WAZYBWGVTPNLRZ-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CNNC(=O)Cn1nnc(-c2ccsc2)n1	704675732	CMWSHJDJYXYUDD-UHFFFAOYSA-N	238.276	-0.348	50	10	BBGE	
CCCCn1nc(C(=O)N(C)N)ccc1=O	704682259	WFKIJEDHJRUOPT-UHFFFAOYSA-N	224.264	-0.011	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(OCC(F)(F)F)C1	707384142	JEAGNRDQPIIYPP-YFKPBYRVSA-N	241.213	-0.372	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1C	710915371	HPJJCRJGMMNOBM-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715401877	KAKGXFMSMCQCJB-QYNIQEEDSA-N	219.235	-0.048	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287096	QPANBZOWEBJXKW-XGEHTFHBSA-N	213.281	-0.526	50	10	BBGE	
COc1ccc(B(O)O)cc1OCC[C@@H]1CO1	718545696	HGYDDEHJIAPQPK-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
CCOCc1nsc(C(=O)NN)n1	724345589	LELAULVWOJYZBX-UHFFFAOYSA-N	202.239	-0.322	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSC1=O	725663488	URVMNBFMXIKYFU-PHDIDXHHSA-N	215.278	-0.219	50	10	BBGE	
Cc1ccncc1C(=O)NNC(=O)c1cnn[nH]1	742068020	HIJQAHHGLLBZCL-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)c1cnn[nH]1)C(C)C	771322433	CTDQQECZKXJFIV-ZETCQYMHSA-N	241.251	-0.763	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cnn(C)c2)CC1	843552090	MKJLOEQRBWITBQ-UHFFFAOYSA-N	238.247	-0.640	50	10	BBGE	
COC1(C(=O)NNC(=O)NC(C)C)CC1	843777542	MBXKPWVVNBROBG-UHFFFAOYSA-N	215.253	-0.096	50	10	BBGE	
COCCOCC(=O)NNC(=O)[C@@H]1CC12CC2	869906307	YHBOOXAXIQOHKE-QMMMGPOBSA-N	242.275	-0.403	50	10	BBGE	
CNc1ncccc1C(=O)NNC(C)=O	1290391308	BKWBAGFUQVTSSS-UHFFFAOYSA-N	208.221	-0.096	50	10	BBGE	
C[C@H](NNC(=O)[C@H]1C[C@H]1C(N)=O)C(F)(F)F	1301179750	CRQOOGMOOYASIY-LMVFSUKVSA-N	239.197	-0.321	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2cccnn2)CC1	1625193949	PBGJEYTUKQEJRB-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCC=CO1)c1cnn[nH]1	1627298190	DMLZVVRHAABAHO-SSDOTTSWSA-N	237.219	-0.742	50	10	BBGE	
COCCCCC(=O)NNC(=O)c1cnn[nH]1	1627298406	MUODSRMAPYAQHE-UHFFFAOYSA-N	241.251	-0.618	50	10	BBGE	
O=C(NCC(F)F)c1ccc(B(O)O)cc1	1634472137	FGGHGFBDNFRUGY-UHFFFAOYSA-N	228.991	-0.639	50	10	BBGE	
COC(=O)NNC(=O)c1cc(=O)cc[nH]1	1641088044	SLNCAHNBPDQKEU-UHFFFAOYSA-N	211.177	-0.624	50	10	BBGE	
Cn1ccc(NNC(=O)c2cccc(=O)n2C)n1	1641538299	KHYHCKIMLPCQDU-UHFFFAOYSA-N	247.258	-0.124	50	10	BBGE	
O=C(Nc1nn[nH]n1)[C@H]1C[C@@H]1Br	1881354256	WRQUFKIAUHIQAX-HRFVKAFMSA-N	232.041	-0.078	50	10	BBGE	
COCCN=C(NN)NC1CC(Cl)C1	1884411806	IUORRIQBEUQYEF-UHFFFAOYSA-N	220.704	-0.189	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCCl	1888563025	FILUVBMZJGVHMX-UHFFFAOYSA-N	228.701	-0.072	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](F)C1=O	1889026886	DBTVXQDBPFQNPH-LURJTMIESA-N	203.217	-0.673	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](N=C=O)[C@@H]2C[C@H]21	1892550377	UPRWFDZNOSDWPU-BIIVOSGPSA-N	216.262	-0.255	50	10	BBGE	
CC(C)n1nc(Br)nc1B(O)O	1893828277	VYKPZCGLCCLOOL-UHFFFAOYSA-N	233.862	-0.699	50	10	BBGE	
CCC(C)(C)NC(=O)c1cnsc1B(O)O	1900466466	GTCLHAUYSNYOJI-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
COC[C@H](O[C@@H]1CC1(C)C)C(=O)NN	1900686294	LKQRQCZTLUJWNT-NKWVEPMBSA-N	202.254	-0.194	50	10	BBGE	
Cc1ccnc(CN2CC[C@@H](B(O)O)C2)n1	1902529404	OHTUHQHHWTZNKG-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
OB(O)c1cc(SCC2COC2)ncc1F	1903005650	JOCQISTYGAFVEN-UHFFFAOYSA-N	243.068	-0.361	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1O[C@H]2CC[C@H]1C2	1905117834	PMUYWABWFDTCNK-CIUDSAMLSA-N	225.053	-0.762	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CCC[C@@H]2C1=O	1906963837	FJDZYQBDHGBLLB-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]1CO	1927914118	QVMGKMXQYBKHTI-IWSPIJDZSA-N	213.281	-0.931	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCCn2cncn2)C1	1928755942	QBKVNCGRIPIKDV-RKDXNWHRSA-N	229.715	-0.211	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=O)C1CCCC1	1930599178	RITSYVCAARKBSY-ZETCQYMHSA-N	215.253	-0.109	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1936088422	NEKCWKLGFRXUOS-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
CN1CCC(N(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1941094933	PXSFIZHRHWTTPO-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)C(C)(C)C1	1944720324	UUCFELXUNFNQRQ-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
COCc1cc(CN2CC(=O)OC(=O)C2)on1	1947301977	QDRQXRDOHNNNCH-UHFFFAOYSA-N	240.215	-0.294	50	10	BBGE	
COC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1	1951320970	UTXBOAZSGQDYIA-SSDOTTSWSA-N	215.058	-0.513	50	10	BBGE	
C#C[C@@]1(O)CCN(C[C@@H](O)CBr)C1	1954824009	QYYJOTQZKWITRJ-DTWKUNHWSA-N	248.120	-0.188	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(=O)NC(=O)C1	1955557293	DLYQLQMPQUCXKF-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CN(C)C[C@@H]1O	1955570472	XYDSQIMJSMSIOG-RNJXMRFFSA-N	220.700	-0.205	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@@H](CCl)CO1	1957844522	PERJDSRXVLVSCR-BQBZGAKWSA-N	231.687	-0.312	50	10	BBGE	
NC(=O)NC1CN(c2nnc(CCl)o2)C1	1959584125	USIASWMBNJNHGX-UHFFFAOYSA-N	231.643	-0.335	50	10	BBGE	
COC1(CN(C)CCCC(=O)NN)CC1	1960727551	GBIKGEYLWOUXEZ-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	1961571172	KAMVAJHNFUKLKT-LURQLKTLSA-N	213.281	-0.933	50	10	BBGE	
C=CC[C@H](C)Oc1ncc(B(O)O)cn1	1961686649	FTOXQTKVVKNLQF-ZETCQYMHSA-N	208.026	-0.500	50	10	BBGE	
Cc1cnc(OCC(F)F)c(B(O)O)c1	1961697183	VPZGFILDIHBRES-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
OB(O)c1csc(Sc2ncccn2)n1	1961709859	DPCIGHDRWCTYEP-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
OB(O)c1csc(N2C[C@@H](F)[C@H](F)C2)n1	1961719105	YKUKPNHOIBECKY-RFZPGFLSSA-N	234.036	-0.681	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	1962788817	AWHLVTOMUHXZGN-NSHDSACASA-N	247.059	-0.949	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@H](C)CC(=O)NN)C2	1978982358	MBOGGRZFOKWODT-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CCN([C@H]1CCSC1)[C@H](COC)C(=O)NN	1980768025	LDNAUDGDBVQPFA-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CCOCCOc1ccc(B(O)O)c(C)n1	1981423862	KGCBWADIMJHFGB-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	1982122356	VOADZVQQZLCYOS-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CN1CCOC[C@H]1C(F)F)C(=O)NN	1982687007	LQKUVLIVGIKVBC-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
CN(C)CCC1CN(CCCC(=O)NN)C1	1983328559	YRUZIJTUIJTQBI-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1C[C@@H]1C(=O)NN	1987562327	KJNWJEXBBTVCMY-IMSYWVGJSA-N	224.308	-0.999	50	10	BBGE	
N#Cc1cccc2c1N(CC(=O)NN)CC2	1988539746	NXKFHQJEQWZCOH-UHFFFAOYSA-N	216.244	-0.089	50	10	BBGE	
CO[C@H]1C=CCN(CC(=O)NNC(C)=O)C1	1990774222	GGVQDLOOJXEMBT-VIFPVBQESA-N	227.264	-0.960	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cc[nH]n1	1991326371	GDLQEDDQBNVQBS-ZETCQYMHSA-N	221.025	-0.760	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1991674970	KHSBAAWYTQAPNG-PXSBVEPCSA-N	245.706	-0.044	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1CCOC[C@H]1F	1991729653	DTBCIKPHLGQLEH-FNCVBFRFSA-N	232.255	-0.244	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@]2(CO)C1	1993215395	OFTFWMNPNPLJAF-CDLYGTGVSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(=O)N2CCC[C@H]2C1	1996428436	ZUUKEMDUKMNOBZ-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
CC(C)(C)NC(=O)Nc1ncc(B(O)O)cn1	1996645920	PWXBSUXPSNPPEN-UHFFFAOYSA-N	238.056	-0.924	50	10	BBGE	
NNC(=O)CCCCN1CCC12CC(CO)C2	1997985803	GBCPOLLSDUCCQV-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CN1CCO[C@]2(CCOC2)C1)C(=O)NN	2002821798	DRWKRGLTAAOXIT-MWLCHTKSSA-N	243.307	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](OCCO)C1	2003872201	LFCVVYMZUZGCLC-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1(CO)CCCC1	2003914006	QQBBQVDXDTUFSF-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
Cc1ccnc(N2CC[C@@H](CF)C2)c1B(O)O	2004916167	IQMXDWJPCTXAME-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
CN(CCC(F)(F)F)c1ncc(B(O)O)cn1	2004916534	MNKWMEPWVCCMQU-UHFFFAOYSA-N	249.001	-0.455	50	10	BBGE	
Cc1ccnc(C)c1Cn1ccc(B(O)O)n1	2013518084	OQVRZCRLLZGAAL-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
CN1C[C@@H](N(C)CCC(=O)NN)CCCC1=O	2014825129	LOVUFJWXQMQGMO-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@H](CN1CCCNC(=O)C1(C)C)C(=O)NN	2018185678	RMDXBCNGQCOBJM-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CCN(CCCC(=O)NN)Cc1cnnn1C	2019942169	XQFINASUGHSINO-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
Cc1nc(N(C)C2[C@@H]3CCC[C@@H]23)ncc1B(O)O	2052558317	CEHYZVIYXXIMAS-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(B(O)O)c1OC	2060056363	QPCINUMRQCDCLU-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
N#Cc1ccc(B(O)O)c([N+](=O)[O-])c1Cl	2060106091	QXEHWJTYQVDGIJ-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CC1(NC(=O)Nc2ccc(B(O)O)cn2)CCC1	2069318842	JXDGATGZEZXXDI-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
CS[C@@H](CNC(=O)C(=O)NN)C1CC1	2209424853	XQSXMUZBOJMSRC-LURJTMIESA-N	217.294	-0.766	50	10	BBGE	
C[C@]1(Nc2ncc(B(O)O)cn2)C=CCC1	2212603914	RWEZKSWMXKETNZ-JTQLQIEISA-N	219.053	-0.323	50	10	BBGE	
CC[C@@H](Nc1ncc(B(O)O)cn1)C1CC1	2212611067	UKFAXFPYGCGDRI-SECBINFHSA-N	221.069	-0.243	50	10	BBGE	
COCCN(c1cc(B(O)O)ccn1)C(C)C	2217176480	WVDNVSGXIRIFFN-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC1(C)CNC[C@H]1Nc1cc(B(O)O)ccn1	2217176722	ZQLHULYYITZCGS-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
C[C@H]1C[C@H](Oc2cc(B(O)O)ccn2)CCN1	2217189240	ABHFGEOAENSJCT-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
CC(C)(CCN)COc1cc(B(O)O)ccn1	2217191264	BWBLNFWBQKWTNW-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cnco1	2217196234	CYONURHHEACTQM-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CN(C[C@@H]1CCCCN1)c1cc(B(O)O)ccn1	2223634123	GMIXTWSRCVQGHQ-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@]23CCOC3)c1	2223636867	MXIPRUMJDOUKGD-SKDRFNHKSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CNC[C@@H]2C1	2223650523	NJNLGZDOHAWPRY-MYJAWHEDSA-N	247.107	-0.829	50	10	BBGE	
CC1(C)CCN(c2ccc(B(O)O)cn2)CCN1	2223651158	ARRSLHRQRLTCHU-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NCCN2CCCCC2)c1	2223672827	CLARTYVHVDJPLW-UHFFFAOYSA-N	249.123	-0.341	50	10	BBGE	
CN(C)[C@]1(C)CCN(c2cc(B(O)O)ccn2)C1	2223677904	UXQRZMKFCSSNED-GFCCVEGCSA-N	249.123	-0.708	50	10	BBGE	
CCCONC(=O)C1(B(O)O)CCC1	2241470593	AAOPJARKQVLZEF-UHFFFAOYSA-N	201.031	-0.159	50	10	BBGE	
C[C@@H]1C(NC(=O)c2coc(B(O)O)c2)[C@H]1C	2243347130	HSABZCUDYGSPSP-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
CC(C)[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243350073	VDEXKRGSABIGNF-JTQLQIEISA-N	223.081	-0.104	50	10	BBGE	
CC#CCCNC(=O)c1sccc1B(O)O	2243357259	UCAYGCKPWCRUIE-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1N	2243382943	SNQAJSKUHIPNMK-MAUMQABQSA-N	226.085	-0.955	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243383183	VHIPBXQCHXTNNY-XGEHTFHBSA-N	226.085	-0.813	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243403839	DNXAVXZWSQRMBY-XKSSXDPKSA-N	227.069	-0.513	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CC[C@@H]1N	2243409398	HFQXIKDTOMPSSC-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1csnc1B(O)O	2243413051	YNDPHGMLWGQCMT-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427417	VDNROKLWLUUTEW-VGMNWLOBSA-N	228.101	-0.661	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2244149143	DGEDQMNICMUWHD-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
O=C(NCCC#CB(O)O)C1CC2(CC2)C1	2244546889	RWDILLMIJWRHBN-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
COCCN(CCCC(=O)NN)C[C@H](C)O	2244885939	MSABLNAZRYXAQE-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
C[C@@H](CN(C)Cc1ccnnc1)C(=O)NN	2245395638	ZBDFFWURERXVCD-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
Cc1cc(OCC(=O)NN)ccc1C(N)=O	2246306186	XASJQNKLVQYXEL-UHFFFAOYSA-N	223.232	-0.537	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(C)c1B(O)O	2247752945	YMFNJRJGPRCELF-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCC[C@@H]1O	2247757191	PFFMJXPZRYHGDF-YIZRAAEISA-N	241.096	-0.341	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)cn1CC	2247761398	UXGOZRDCQILUGU-UHFFFAOYSA-N	238.052	-0.965	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)n[nH]2)C1	2247783738	KISCNWMOMNTDEY-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1cc(B(O)O)n[nH]1	2247783947	NHOASJZLRSSMAO-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
Cc1cc(C(=O)N2CC(CF)C2)oc1B(O)O	2247788627	IWPXHIRZVXDPOB-UHFFFAOYSA-N	241.027	-0.691	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCCN1	2247796995	FIPQIJRQPHKBIL-IQJOONFLSA-N	240.112	-0.502	50	10	BBGE	
CC1(C)CN[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797466	JVSKIUNTTKSXEH-CIUDSAMLSA-N	240.112	-0.646	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)C1CC(B(O)O)C1	2247799676	GTVBGIHPLANSJC-RTBKNWGFSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247805156	JRQOVVVOIZOKDF-GEPGNKONSA-N	240.112	-0.519	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247848951	SOCKXUFPFUYHTM-VIFPVBQESA-N	236.080	-0.387	50	10	BBGE	
CN(C[C@@H]1CCCC1(F)F)C(=O)C#CB(O)O	2247850393	OANWAZXKGGFNPE-QMMMGPOBSA-N	245.034	-0.104	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCCOC2)[C@@H]1C[C@H]1B(O)O	2247887130	KQPVRURCOQVETE-CDLYGTGVSA-N	239.080	-0.465	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@H](B(O)O)C2)nnn1C	2247897602	VEQHXZGFWKBATC-LJGSYFOKSA-N	238.056	-0.685	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)c1ccco1	2247899746	PUVYTQNNVHUDEO-BIIVOSGPSA-N	238.052	-0.742	50	10	BBGE	
C[C@@H]1OC2(C)CC1(NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2247900810	ZVGSHTCSSNYESS-XBKBBXHWSA-N	239.080	-0.325	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)cc1O	2247962298	MNIREEZXNWEQKL-UHFFFAOYSA-N	239.036	-0.905	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)[C@@H]1C[C@H]1B(O)O	2248586585	CXPOAKGUCVMKFW-WCTZXXKLSA-N	241.052	-0.687	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1cocc1B(O)O	2249411038	PRFMMJBWZARCOH-DTWKUNHWSA-N	241.027	-0.420	50	10	BBGE	
C=CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)n[nH]1	2255552737	PCEJUNBIJSEGJH-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@H]1C[C@H](B(O)O)C1	2255778790	VYINUTPSITVXLJ-MGCOHNPYSA-N	249.079	-0.312	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C(=O)[C@@H]2CCC[C@H]21	2258126115	CGROBIXKMNXNQB-HZGVNTEJSA-N	249.031	-0.890	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2258127062	YDZNVMUVJHJQFE-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C=C[C@H]1C2	2258128719	QLSFWYTUNDZXBT-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2258142506	DRWKYVMRNPZXGP-OFHVYEONSA-N	249.075	-0.266	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC[C@H]2C[C@@H]21	2261405921	LEXLHJIYDNFJGF-ONGXEEELSA-N	247.107	-0.733	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298164812	JLMPFCMVPYVKGW-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
Cc1nn(CCC[C@H]2C[C@@H]2C(=O)NN)c(=O)o1	2300369294	HQAAWUHOGWNOML-YUMQZZPRSA-N	240.263	-0.449	50	10	BBGE	
C[C@H](C(=O)NC1CC1)N1CC[C@](C)(B(O)O)C1	2303134186	OJYDPYAZYFGHFR-KCJUWKMLSA-N	240.112	-0.408	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)N2CC[C@H](B(O)O)C2)C1	2303163784	IGGVWZINHZCCFI-CIUDSAMLSA-N	242.084	-0.578	50	10	BBGE	
COC1CC(NC(=O)N2CC[C@@H](B(O)O)C2)C1	2303165341	IGGVWZINHZCCFI-AFPNSQJFSA-N	242.084	-0.578	50	10	BBGE	
CC[C@@](C)(CN(C)C(C)(C)C(N)=O)C(=O)NN	2303421604	VLXLDEYBTPTUDY-NSHDSACASA-N	244.339	-0.412	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2304182328	JWGXGEHIIOQFRP-VAPHQMJDSA-N	241.096	-0.533	50	10	BBGE	
CN1CC[C@H](Oc2ccc(B(O)O)cc2C#N)C1	2317168686	XMBAJFKWLHSGBX-NSHDSACASA-N	246.075	-0.679	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317210760	FMRLTCSUNCWUGO-PRHODGIISA-N	247.059	-0.348	50	10	BBGE	
O=C(N/N=C/c1ccccn1)c1ccc(=O)[nH]n1	281363	QVFDRESQFNDHST-NTUHNPAUSA-N	243.226	-0.071	50	10	BBGE	
NNC(=O)c1cc2cnccc2nc1N	1659886	AEYGTEWBYRZQJL-UHFFFAOYSA-N	203.205	-0.185	50	10	BBGE	
CC(C)CN(CCN(C)C)C(=O)C(=O)NN	42796585	PUVQSQDUPCHEMF-UHFFFAOYSA-N	230.312	-0.978	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1ccccc1F	49819901	RIWOIYRBBMJDRZ-ZCFIWIBFSA-N	225.223	-0.066	50	10	BBGE	
Cc1cc(NC(=O)CCC(=O)NN)no1	58862785	BZENIQXXEAGZMW-UHFFFAOYSA-N	212.209	-0.308	50	10	BBGE	
C[C@@H](CN(C)C1CCOCC1)C(=O)NN	82467972	YACQQMBQAZSNPR-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)C[C@@H]1C	82485324	MLFQGXYAQHQDHB-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CCSCC(=O)N1CCC(C(=O)NN)CC1	84691085	XVQIESMDBMFJFX-UHFFFAOYSA-N	245.348	-0.032	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(C(N)=O)CC1	110568097	FHOFUSRYMHCXQH-SECBINFHSA-N	242.323	-0.802	50	10	BBGE	
O=C1C[C@H](OC(=O)C(F)(F)F)C(=O)O1	136668186	VDOMJGLWVPHKFA-REOHCLBHSA-N	212.079	-0.066	50	10	BBGE	
C[C@]1(O)CCCN(CCC(=O)NN)C1	157538361	OXINBTLRANVGNG-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)[C@H]1CCOC1	161690435	PGYZITQZZIQOKG-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
CN(CCC(=O)NN)CC1(O)CCCC1	162485780	JBHUHFXQOWFHJT-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
Cc1cccc(C)c1CC(=O)NNC(=O)CO	182766777	GYRFQBZNUJHDAV-UHFFFAOYSA-N	236.271	-0.014	50	10	BBGE	
CNc1cc(C(=O)NN=C(N)N)ccn1	205235209	QKBZGLYDEXMYNE-UHFFFAOYSA-N	208.225	-0.959	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)[C@@H]1CO	227214436	MIEFJNJFQCVOFZ-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CS(=O)(=O)CCNS(=O)(=O)CCCl	232296327	GNJBTMFDFDZSBE-UHFFFAOYSA-N	249.741	-0.811	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)c1nccs1	235146753	XXLYCEIHFWOMST-YFKPBYRVSA-N	228.277	-0.647	50	10	BBGE	
C[C@H]1OCC[C@]1(C)N1CC(=O)OC(=O)C1	235599248	JPCFTVWCZJINOB-XCBNKYQSSA-N	213.233	-0.061	50	10	BBGE	
Cc1ccn(-c2cccc(B(O)O)c2)n1	238538014	NPSLGLQLGAUHGS-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
OB(O)c1ccc2ncnc(Cl)c2c1	238649268	UEGXDVRUOHRPKF-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
NNC(=O)CC(=O)Nc1ccc(O)cc1	238655391	KBZCBXBRGFPQER-UHFFFAOYSA-N	209.205	-0.289	50	10	BBGE	
CN1CCC(NC(=O)CNC(=O)CCl)CC1	258800522	TWNPXDDWXKLEBB-UHFFFAOYSA-N	247.726	-0.448	50	10	BBGE	
CCCNC(=O)CS[C@@H](COC)C(=O)NN	300883170	SRHOOJKZZJCNIF-ZETCQYMHSA-N	249.336	-0.749	50	10	BBGE	
Nc1nc(B(O)O)ccc1C(F)(F)F	306199232	RXLATMGFMOGHCC-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
Nc1ccc(O)c2cc(B(O)O)sc12	306940034	OSGGRZZHVBBXDD-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN(NC(=O)C(F)(F)Cl)C(N)=O	307078595	HCOHUAKOGMXHIK-UHFFFAOYSA-N	201.560	-0.140	50	10	BBGE	
O=C1NOC[C@H]1n1cnnc1CCl	307327753	JQGHJRCDSHZKQL-SCSAIBSYSA-N	202.601	-0.381	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(O)C1	307756317	HPMMPNICCCQLLF-ZETCQYMHSA-N	201.270	-0.933	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CN2CCC1CC2	309091825	DZAIUYGOMWMZSO-SECBINFHSA-N	212.297	-0.998	50	10	BBGE	
Cn1cc([C@@H]2CCCN2CC(=O)NN)cn1	309722654	CENIFPJHJGAHSW-VIFPVBQESA-N	223.280	-0.453	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C	385007406	MVAOEIJBGCRQAZ-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
O=C1CN([C@H]2CCCOCC2)CC(=O)O1	389669527	SXGWHPYTOKFDGH-QMMMGPOBSA-N	213.233	-0.059	50	10	BBGE	
C[C@@H]1CNC[C@@H]1C(=O)NNC(=O)C1CC1	390746697	AMUXMTKKZUUIJV-SVRRBLITSA-N	211.265	-0.601	50	10	BBGE	
Cc1nnc([C@H](C)NC(=O)C(=O)NN)s1	392180534	ZMXMKLQYNCPEKY-VKHMYHEASA-N	229.265	-0.986	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1O	399921455	PSKHRFXWAGKLJJ-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)CCCC#N	526907807	RRVAJUJVMXVMEI-OAHLLOKOSA-N	231.277	-0.794	50	10	BBGE	
Cn1nnc2c(/C=C/B(O)O)cccc21	575451147	YTIPINCNIWFDID-AATRIKPKSA-N	203.010	-0.007	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]1C1CC1	584996034	VSZYWFXIUSPMHD-LBPRGKRZSA-N	245.087	-0.009	50	10	BBGE	
OB(O)c1cc(Cl)cc2c1CNCC2	675078921	BRUSZLUMPAAQHV-UHFFFAOYSA-N	211.457	-0.335	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1[C@H](C)CC(=O)NN	688638786	IFWDTCHZHWOGMB-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
Cc1ncc(CN(C)C[C@@H](C)C(=O)NN)n1C	689556327	LJUCJEBACBDPEC-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H](F)C2)on1	689824993	DZDCQXKDEAGWOQ-LURJTMIESA-N	228.227	-0.178	50	10	BBGE	
OB(O)c1ccn(CCN2CCCCC2)n1	694306960	FINLZIPKXFHFDL-UHFFFAOYSA-N	223.085	-0.951	50	10	BBGE	
OB(O)c1cnn(CC(F)(F)C(F)F)c1	694502314	VAMXPWHCITWPKK-UHFFFAOYSA-N	225.938	-0.537	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cn1)C1CCC1	694562571	HJFXQCJNJDHQBR-MRVPVSSYSA-N	208.070	-0.001	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@H]1CCO	694963137	AZSVDXKUIZSVJU-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
Cn1nnnc1CNCCBr	697897141	UJUOXNHMUCCETD-UHFFFAOYSA-N	220.074	-0.305	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1C[C@@H](O)CCl	698229602	SDPQWDVTPMSXCA-FXQIFTODSA-N	209.673	-0.986	50	10	BBGE	
Cc1oc(Cn2ccnn2)cc1C(=O)NN	699020892	RFUIVEXKOQBCRB-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
Cn1nnc(C(=O)N2CCOC[C@@H]2CCl)n1	700331605	XPEARVYUIXNKLZ-LURJTMIESA-N	245.670	-0.710	50	10	BBGE	
Cc1nn(C)c2ncc(C(=O)NCB(O)O)cc12	701958640	JGSMVUJFHXWVJM-UHFFFAOYSA-N	248.051	-0.981	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703805581	LVCOHCTWRYYBBN-AEJSXWLSSA-N	229.324	-0.296	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2ncnn2C)c1	704217941	HTQKBFNDIBOWGK-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC(C)C2)c1	705093667	GXSVQJZGXKJGKD-UHFFFAOYSA-N	235.092	-0.173	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]2C=C[C@H]1CC2	706529413	HBGWJTNYMSIVCC-CIUDSAMLSA-N	209.054	-0.283	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C(C)(C)CCO	707918897	QNFIUJHGCWXUED-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)O	715509929	CVFILOAIEWGPEI-RNFRBKRXSA-N	231.252	-0.748	50	10	BBGE	
C[C@H](CN(C)CC12CCN(CC1)C2)C(=O)NN	715564682	ICGJKPAQGYSFLZ-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@@H](C)C1	721479538	HFDSNTRCOAVOQR-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnn[nH]1)C(C)(F)F	815442340	GOBKOYGOYBYPQL-BYPYZUCNSA-N	247.205	-0.143	50	10	BBGE	
CN(NC(=O)C1CS(=O)(=O)C1)C1CC1	868961857	DMVXUPPDIHPQSK-UHFFFAOYSA-N	218.278	-0.844	50	10	BBGE	
O=C(CO)NNC(=O)C1C[C@@H]2CC[C@H](C1)S2	897312917	PROVAOHHOXFTJH-IEESLHIDSA-N	244.316	-0.200	50	10	BBGE	
NC(=O)C(=O)NN=Cc1nccc2c1CCCC2	905419750	SLYCEPLAURXJSE-UHFFFAOYSA-N	246.270	-0.104	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(CC)CCO	911443429	JHJCPCQUKLDLEL-NHLYECAPSA-N	202.254	-0.731	50	10	BBGE	
CN1CC[C@@H](CC(=O)NNc2cnnn2C)C1	1332854792	QCMSDZZZANESFA-QMMMGPOBSA-N	238.295	-0.400	50	10	BBGE	
COCCN(C)NC(=O)CCN1CCOCC1	1449377190	VSRRHLRPTLJOON-UHFFFAOYSA-N	245.323	-0.682	50	10	BBGE	
CC(=O)C1(C(=O)NNC(=O)c2cccnn2)CC1	1457992956	QBKQPBSJNLRSCL-UHFFFAOYSA-N	248.242	-0.393	50	10	BBGE	
N#C/C=C/CN1C(=O)N[C@@]2(CCOC2)C1=O	1459030962	HIWUELNXYCJMBT-TXXBHVLJSA-N	221.216	-0.223	50	10	BBGE	
CNC(=O)NNC(=O)c1ccn2nccc2n1	1630972416	LVMCGPCFCSHKCT-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
N#C/C=C\Cn1nc(C(N)=O)ccc1=O	1656256051	PGIGJUBHIUCRBR-UPHRSURJSA-N	204.189	-0.578	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)CCCCl)C(=O)O	1865986682	JGGOIHRDUJCPKK-IYSWYEEDSA-N	223.656	-0.044	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2COC[C@@H]21	1876518073	SMSZNTAELZMHCZ-NKWVEPMBSA-N	205.641	-0.149	50	10	BBGE	
N[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1Br	1880433774	JXPPOFGUMKQCBE-AZGQCCRYSA-N	219.082	-0.014	50	10	BBGE	
C=C[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1883648312	YKVSBEPPFOYQPC-YUDCMIJISA-N	203.625	-0.029	50	10	BBGE	
N=c1[nH]nc(C(=O)NC2CC(Cl)C2)[nH]1	1884413421	XIVLATKBCGOHQL-UHFFFAOYSA-N	215.644	-0.283	50	10	BBGE	
C[C@@H](CO[C@@H]1C=CCOC1)C(=O)NN	1888697822	FKALTFHJKMPNNH-JGVFFNPUSA-N	200.238	-0.416	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)NC[C@@H]1C[C@H]1Cl	1893108297	RMORWIQBMCQGQK-JKUQZMGJSA-N	221.640	-0.171	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@@H]2C[C@@H]21	1895003614	MPNPTLZTMBCPRP-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2CCC[C@@H]21	1896233588	VRLMPBSLIZKLKL-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	1899869449	CAGUQVDUHCQICZ-YIZRAAEISA-N	229.085	-0.531	50	10	BBGE	
O=C(Nc1ncco1)c1cnsc1B(O)O	1900474707	JVAOTMMIEYRTHM-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CCN(Cc1nc(B(O)O)cs1)C1COC1	1902638399	AIILHHSYAAGCAT-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
CC[C@@](C)(Cn1cnccc1=O)C(=O)NN	1902735404	YFJNTPKPDMVDNK-JTQLQIEISA-N	224.264	-0.351	50	10	BBGE	
N#C[C@@H](Cl)CN(CCO)C1COC1	1915534025	ACWVCPANFZQBHP-SSDOTTSWSA-N	204.657	-0.190	50	10	BBGE	
COCC1CN(CCCCC(=O)NN)C1	1916282028	VOKQFQVKMVKLBQ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CN1C(=O)C[C@@H](N2CC=C(C#N)CC2)C1=O	1917075664	DQJSKNPTOLAPDA-SECBINFHSA-N	219.244	-0.101	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cn[nH]c1	1923410456	MQOKAOIYNHSDTL-UHFFFAOYSA-N	222.126	-0.267	50	10	BBGE	
COc1cc(C)ncc1C(=O)NNCCO	1927269371	HACNURPZYAICNS-UHFFFAOYSA-N	225.248	-0.375	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1927866495	KIGHEBRYOGOISK-GJMOJQLCSA-N	219.260	-0.840	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@](C)(O)CO1	1930291901	ROSSYRCVAOXEAA-VXNVDRBHSA-N	217.269	-0.857	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1CC(F)(F)C(=O)NN	1935943387	CSMCQSUKMPNYLU-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(SC(C)C)C1	1939022653	SWWGEFYTJVJWAH-VIFPVBQESA-N	247.364	-0.183	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCC[C@H]1O	1941775518	PJRDPBOQTAPGTH-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CC3)CO2)cc1	1944593660	MSNMLGYDVPDISQ-UHFFFAOYSA-N	233.076	-0.106	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2OCCO[C@@H]2C1	1944744720	QCANFDLQIOUZLD-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1948554419	PSOFKRAXLSQVEZ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
OC[C@H]1CN(C[C@@H](O)CCl)CCO1	1954822018	IIDISCDOLGRSQZ-JGVFFNPUSA-N	209.673	-0.721	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NCB(O)O	1956212264	WICZMCPLFUJPSO-CRCLSJGQSA-N	206.985	-0.594	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)[C@@H]1C	1956965980	NUBBAOKJXYAFFZ-NTSWFWBYSA-N	212.083	-0.333	50	10	BBGE	
CCCc1ocnc1C(=O)NNC(N)=O	1958695671	UXNGKWARDFMTGC-UHFFFAOYSA-N	212.209	-0.060	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]1CN(C)C	1958805371	RHDSPJUUZVGLKX-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CCOC[C@@H]1CCCN(CC(=O)NN)C1	1961262760	ZDEYJCQHERIAOD-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)c1cnn(C)c1	1961352113	IIKVYSBNKPHRJC-QMMMGPOBSA-N	211.269	-0.375	50	10	BBGE	
C[C@@H](Oc1ccncc1B(O)O)C1CC1	1961712777	OJWJSNYOGXLZGG-SSDOTTSWSA-N	207.038	-0.061	50	10	BBGE	
Cn1nnnc1CN1C[C@H](Cl)[C@@H]2COC[C@H]21	1975949123	XFZDIZBGOXNMGQ-BIIVOSGPSA-N	243.698	-0.352	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COCC[C@H]1C(=O)O	1976214349	QIOXOOOWAPUXKL-RNFRBKRXSA-N	231.252	-0.748	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)[C@H](C)C1	1977147471	OPDAETIIEXOCIQ-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
O=C1CN([C@@]23COC[C@@H]2C3(F)F)CC(=O)O1	1977407723	VPYGXKOKBWDSNQ-XNCJUZBTSA-N	233.170	-0.594	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@@H](COC)C(=O)NN	1977877770	CGSPLNGZFNWPFZ-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCSC1	1981410298	XVOBIAJKWTVPGD-QMMMGPOBSA-N	239.109	-0.902	50	10	BBGE	
CCOCCN(C)c1ccncc1B(O)O	1981427606	VOCDUUXZOWCFOS-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
Cc1nnc(Sc2ccc(B(O)O)cn2)o1	1981454067	CMEWNGICMSGXPS-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
OB(O)c1cnc(N2CCCCO2)c(F)c1	1981469383	RMSAZOUJRNHQGO-UHFFFAOYSA-N	226.016	-0.568	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CCOC[C@@H]2C1	1986817456	YGAOHLUXAKBZPO-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@@H]1C1CC1	1987390463	CKBNPLSJUDHSKX-HDBBIHSSSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	1989761464	OISQVOYCRJAQIM-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
Cc1ncccc1C(=O)NCC=CB(O)O	1991329447	IWYBYUDXYWAONZ-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C(=O)/C=C/C(=O)Cl	1991712651	JLRYEWGMPQBAOO-IPWVHJGXSA-N	246.650	-0.979	50	10	BBGE	
CN(CP(C)(C)=O)c1ncccc1B(O)O	1992349046	VLGQKTFUYRIGHZ-UHFFFAOYSA-N	242.024	-0.222	50	10	BBGE	
COCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	1993891659	UCWDEQCKJBRHQG-MGCOHNPYSA-N	230.264	-0.812	50	10	BBGE	
O=C(CCC1CCC1)N[C@@H](CB(O)O)C(=O)O	1998131624	WWVDFKCEYODGBT-QMMMGPOBSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(CC2(C(=O)NN)CC2)C1	2001934705	WRMPXGLELARJCW-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
COCCCN(C)c1nc(C)ccc1B(O)O	2005014950	TYESFXVOOQBESZ-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@@H]3C2)c(B(O)O)c1	2005016906	WSMCWTJMTUPZTN-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
CO[C@H]1CC(CN(C)CC(=O)NN)C[C@@H]1OC	2006341054	QYKBSPOHGKOQHE-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
COCCN(C)Cc1ccc(C(=O)NN)nc1	2007741611	SHUUYIWQMNDOKU-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
N#C[C@H]1CN(CCC(F)(F)C(=O)NN)CCO1	2008873045	IQFLIGLAQHIVAH-ZETCQYMHSA-N	248.233	-0.774	50	10	BBGE	
CN(Cc1cncnc1)CC(F)(F)C(=O)NN	2009051460	XDFRGLNVXUNVAT-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
C[C@]1(O)CON(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010832724	KUQUOAOLBDCVLQ-IQJOONFLSA-N	243.307	-0.609	50	10	BBGE	
NNC(=O)CCCN1CC(N2CCCC2=O)C1	2011136172	GRSWWNACOLOKJE-UHFFFAOYSA-N	240.307	-0.937	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@@H]2C[C@H](C1)O2	2021435299	FRNMOGVWHDFNEJ-DTORHVGOSA-N	237.259	-0.144	50	10	BBGE	
Cc1ocnc1CN(C)c1ccncc1B(O)O	2052467791	VFQMBDHDOHGWJQ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@H]2CC[C@H]1C2	2052498947	LPUGGLJRMVBWCU-LPEHRKFASA-N	248.091	-0.029	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]3CC[C@H]32)c1B(O)O	2052555901	JLVSIDTVYSYKCI-VHSXEESVSA-N	247.107	-0.156	50	10	BBGE	
Cc1cnc(N2CCOC3(CC3)C2)c(B(O)O)c1	2052627947	SSPDRUAJEGLJOM-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
COc1c(C)ccc(B(O)O)c1[N+](=O)[O-]	2060379323	XCQQNWIRXRFAKW-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2O[C@H]3C=C[C@H]2C3)n1	2078454804	NYEWOLLHGDFCNN-IUCAKERBSA-N	247.063	-0.778	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1	2079010129	XCHYOHZMJSTCOX-JTQLQIEISA-N	243.071	-0.538	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nc(C)n(C)n1	2211608544	GWEOGQQSCREZGT-ZETCQYMHSA-N	246.698	-0.006	50	10	BBGE	
OB(O)c1ccnc(Sc2cnccn2)c1	2212599615	LKMMJWGGBQQLSU-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CC[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2212602784	JTUBHMGRIZMGFS-JGVFFNPUSA-N	221.069	-0.964	50	10	BBGE	
CC[C@@H](CNC)Oc1ncccc1B(O)O	2212603046	BTNVXOAMSOMWQG-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
CNCC[C@@H](C)Oc1cc(B(O)O)ccn1	2212607038	FFXZGAUFAXFXTQ-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215775585	HVUNBEHAXDNZTA-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H]2CO)CCC1	2216534535	OZIZCTNBBCGKJJ-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C=C1COC[C@H]1Nc1cc(B(O)O)c(C)cn1	2217180644	VLIRPMOMZVGLNN-SNVBAGLBSA-N	234.064	-0.563	50	10	BBGE	
CC[C@@H](N)CCCOc1ccc(B(O)O)cn1	2217182402	AFGRLQBJXJKWGS-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
Cc1cnc(N(C)CC(C)(C)O)cc1B(O)O	2217183376	KMRLUAZHVICHFM-UHFFFAOYSA-N	238.096	-0.723	50	10	BBGE	
CC[C@](C)(COC)Nc1ccc(B(O)O)cn1	2217184667	QUCGEKRDCFDVAD-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
C[C@@H]1C[C@@H](COc2cc(B(O)O)ccn2)CN1	2217192138	WCFFHPXUISBGBA-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H](COC(F)F)Nc1ncccc1B(O)O	2217195061	FCCSJKPPVKLIGI-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCCCO2)nc1	2217197994	UTOLTGUCOKNJMF-JTQLQIEISA-N	236.080	-0.258	50	10	BBGE	
C[C@@H]1COCCN(c2cc(B(O)O)ccn2)C1	2217200045	QQGITNCFPYEWSP-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CC[C@H](CN=c1ncc(B(O)O)c[nH]1)C(C)C	2217202430	WORRHCPBUWPQJZ-SECBINFHSA-N	237.112	-0.328	50	10	BBGE	
CC1(C)CNCCN(c2ncccc2B(O)O)C1	2223637581	GDULNGDYBIQDBG-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
CCn1cc(CN=c2ccc(B(O)O)c[nH]2)cn1	2223642847	OGBJTSWVICHYCX-UHFFFAOYSA-N	246.079	-0.988	50	10	BBGE	
CNC[C@H]1CCCN(c2ncccc2B(O)O)C1	2223668524	XMYAQCZLJXIVHJ-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
C=CCO[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2223676509	BTRQJMZHVSFPCQ-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
C[C@H](CF)N(C)C[C@@H]1C[C@@H]1C(=O)NN	2241720232	OTYOXESQTOAIDU-CSMHCCOUSA-N	203.261	-0.098	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]1[C@@H](O)CO	2241826673	VHUBOVLEYQOPGL-VQVTYTSYSA-N	207.657	-0.432	50	10	BBGE	
O=C(C#CB(O)O)NCC(F)(F)C(F)(F)F	2243349928	SOXICDFHOKRZED-UHFFFAOYSA-N	244.912	-0.684	50	10	BBGE	
Cc1csc(C(=O)N2CCCN2)c1B(O)O	2243378611	WMELQHRGUXMWSC-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1sncc1B(O)O	2243385558	KUSNOAPGJVAXLJ-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
C=CC1(NC(=O)c2ncsc2B(O)O)CC1	2243397435	BEOTTWYQASQWFN-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)C#CB(O)O)CCS1	2243398051	BCZHGQTXDCIGIL-VIFPVBQESA-N	241.121	-0.398	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)cn1CC	2243409323	FZWYRZFDQNRDNZ-UHFFFAOYSA-N	226.041	-0.961	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243420711	XUDDQEAUAAYEIC-XKSSXDPKSA-N	227.069	-0.777	50	10	BBGE	
C=C(C)C(=O)NCc1ccccc1B(O)O	2243668975	RRAKRFUZCQWFIM-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
C#CCN(OC)C(=O)c1cscc1B(O)O	2244258741	RLYFDRQKEZMZON-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
C[C@H](N)CN(C)c1cc(B(O)O)c(Cl)cn1	2245913650	VLIUDPZRBORCRY-LURJTMIESA-N	243.503	-0.802	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247733563	OHVDVTVKGIENMN-BDAKNGLRSA-N	237.064	-0.266	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247735973	QXATVQCJNXTORN-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
CN(CC1C[C@H]2CC[C@@H]2C1)C(=O)C#CB(O)O	2247740007	DZWMNTBLDTYKKP-GHMZBOCLSA-N	235.092	-0.104	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2CC[C@H]1C21CC1	2247747638	QJPQXYZDUPSANP-BBBLOLIVSA-N	233.076	-0.303	50	10	BBGE	
CCC1(N(C)C(=O)c2occc2B(O)O)CC1	2247751327	WGVIAZNDNKQCJW-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
Cc1cccc(C(=O)NN2CCC2)c1B(O)O	2247752080	IDXUEAQXWXEOIO-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CC[C@@](C)(CN)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791214	LTXPSJFVGBHHAC-NGZCFLSTSA-N	242.128	-0.175	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H](C)N1	2247805640	KMPIJHRAMSXILA-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)C1CC(B(O)O)C1)C2	2247806594	GFCMYODWGRMHPU-CAUGXEKISA-N	239.080	-0.371	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cn(C)cn1	2247852713	YPOUKIIPZKCAPK-BIIVOSGPSA-N	237.068	-0.540	50	10	BBGE	
C=C[C@]1(C)COCCN1C(=O)C1(B(O)O)CC1	2247854704	HMCBHZNHIMYMGJ-SNVBAGLBSA-N	239.080	-0.203	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)N(C)C1CC1	2247877631	CJTAGGXUQBHMAV-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247878982	QWDFBTWLKZPUBP-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
C=CCOCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897164	OWAIPRURNICEEO-MGCOHNPYSA-N	241.096	-0.100	50	10	BBGE	
C[C@H]1CC[C@H](COc2ncncc2B(O)O)C1	2248026172	MVFJLRPIMYGCRP-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
C#CCC(=O)Nc1cc(C)c(B(O)O)cc1C	2248420696	ZINSHFRKETWJDE-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C[C@H](C)O	2248438794	HOVIFQDMIOWOAY-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248577483	NGVLIGOVIUDCMR-CSMHCCOUSA-N	241.052	-0.828	50	10	BBGE	
CC(C)(C)N(CC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248586230	XSJJYRYKGJPYMC-RNFRBKRXSA-N	243.068	-0.439	50	10	BBGE	
CCOCCNC(=O)N1CCC(B(O)O)CC1	2249379579	XPUZCBAIHSBKLG-UHFFFAOYSA-N	244.100	-0.329	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]1C1CCC1	2250006031	GSOWEYODIJKZKJ-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
COCCN(C[C@H](C)O)[C@H](C)[C@@H](C)C(=O)NN	2250545990	PGMXOUGOORWJGU-IVZWLZJFSA-N	247.339	-0.670	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(CC=CC2)C1	2255453233	PAAQQZHDPUUPGX-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2ccoc2B(O)O)C1	2255466781	DVNCNPGFZZXYHD-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
CC#CCCCNC(=O)c1ncccc1B(O)O	2255514652	LOZOELDWQHFISA-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1C[C@@H]2CCCC[C@H]21	2255551377	WVKLDJSRDXALIJ-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2cccn2)C1)C1(B(O)O)CC1	2255724326	DXWZKQNUVDGGRZ-DTORHVGOSA-N	249.079	-0.290	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1coc(B(O)O)c1	2255728385	FPYIAOFLCQGNEE-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)co1)C(C)(C)C	2258125593	RXJBCUGPYBRTFK-JTQLQIEISA-N	249.075	-0.263	50	10	BBGE	
C#CCOC(=O)NCc1ccc(B(O)O)c(C)c1	2260823757	DONFFCXHDVFXGT-UHFFFAOYSA-N	247.059	-0.466	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2298370404	YDSHWMGQXAZRBR-BGZDPUMWSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376670	ICYLYONVJTVCSR-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
O=C1[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1B(O)O	2298377153	GNJQZCNPOKTKAK-BGZDPUMWSA-N	237.064	-0.223	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCOC1	2301371212	CIKVLMSDVYCXLB-JTQLQIEISA-N	233.032	-0.594	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	2301395182	KDBGMPJLVXAVQN-VHSXEESVSA-N	242.323	-0.978	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1ccncc1B(O)O	2317064709	OYKIEPHLYMAMLK-HTQZYQBOSA-N	248.091	-0.464	50	10	BBGE	
CC[C@H](N)CCOc1ccc(B(O)O)cc1C#N	2317163996	UIEMLIZHYRPFIY-NSHDSACASA-N	248.091	-0.256	50	10	BBGE	
CCN(CCC#N)c1ccc(C=O)c(B(O)O)c1	2317351579	KPAWJDJCUHRDCS-UHFFFAOYSA-N	246.075	-0.081	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccc(C)c(B(O)O)c1	2319328280	DTCFORNFJPFEFE-LLVKDONJSA-N	245.087	-0.133	50	10	BBGE	
NC(=O)COc1ccccc1C=NNC(N)=O	13914701	DSLTWUROQZLZES-UHFFFAOYSA-N	236.231	-0.447	50	10	BBGE	
CCNC(=O)[C@@H](C)NC(=O)NC(=O)[C@@H](C)Cl	49230928	IWPJNJJIWOSNIR-PHDIDXHHSA-N	249.698	-0.036	50	10	BBGE	
C[C@H](CN1CCCC[C@@H]1CCO)C(=O)NN	58847524	RIIRVNOVUSIPHD-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(CO)CC1	82465795	AGPWHYBDLNWSOG-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)n1cncn1	82468466	YFRASPRFDAUMOS-SECBINFHSA-N	217.232	-0.143	50	10	BBGE	
CCN(CCC(=O)NN)C[C@@H]1CCCO1	82469630	NJGSIIWNNWTVDW-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCO1	82469916	TVQUSTHOFCKWCH-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC(=O)NNC(=O)Cc1csc([C@H](C)N)n1	82696473	YTENCQVYXFRWNJ-YFKPBYRVSA-N	242.304	-0.127	50	10	BBGE	
Cn1c([C@H]2CCCN2)nnc1[C@](C)(O)C#N	106366067	RZPWESDCLBMIPT-GMSGAONNSA-N	221.264	-0.029	50	10	BBGE	
C[C@H](CN(CC(N)=O)C1CCCC1)C(=O)NN	110589211	NSCNRGSXCLWZKS-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
CCC[C@@H](O[C@H]1CCOC1)C(=O)NN	211802455	KFTXXWXLSOPDRT-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CN/C(=C(\C#N)C(N)=O)c1cccn1C	212401461	VNUACTOHBGSDHM-VQHVLOKHSA-N	204.233	-0.036	50	10	BBGE	
COc1ccc(C(=O)NC(C)C)cc1B(O)O	217788695	JYBPZMVQDOJNGK-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
COC[C@H](Cl)CCNCc1nnn(C)n1	230112019	QXAUODFSJMMHOK-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCN(C(C)C)CC1	232419231	NVXKYJPZUXIXRD-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
C#Cc1cc(OC)nc(C(=O)NNC)c1	238307772	HDZHYPXNWIIJNS-UHFFFAOYSA-N	205.217	-0.064	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H]1CO	252615398	YZACHMYUWCMMHK-CIUDSAMLSA-N	215.297	-0.542	50	10	BBGE	
COCCNC(=O)C(=O)NN=Cc1ccccc1	254758336	FDCSHUBZFKNJOR-UHFFFAOYSA-N	249.270	-0.101	50	10	BBGE	
CN1C(=O)Cc2cc(CNC(=O)NN)ccc21	258741727	LBFSYGSYAUVFFN-UHFFFAOYSA-N	234.259	-0.122	50	10	BBGE	
CO[C@H](C)CN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	302632251	TWKIYOALRWQMFR-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](Nc1nc(N)nc(CCCl)n1)C(N)=O	309281469	GTDQLXSLNWAZNB-BYPYZUCNSA-N	244.686	-0.479	50	10	BBGE	
CCCN1Cc2ccc(B(O)O)cc2C1=O	309345342	JVWDCFRXBUPANP-UHFFFAOYSA-N	219.049	-0.268	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1CCC(=O)NN	379873895	RUEJYIQNAGVKKY-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CCOC1CN(CC(C)(C)C(=O)NN)C1	383042765	CNZXBVZQNSXIHT-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(F)F)C(C)C	386865724	ZHENTLPDMAMUST-SSDOTTSWSA-N	239.266	-0.033	50	10	BBGE	
N[C@H](CC(=O)O)SS[C@H](N)CC(=O)O	388785833	IOBWQSXKJLGKMX-IMJSIDKUSA-N	240.306	-0.113	50	10	BBGE	
O=Cc1c(CO)c(B(O)O)cc2sccc12	396334173	IPRNNVGISLODOC-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1F)[C@H](O)C1CC1	396437717	AVJQZAYMAXSODE-WDEREUQCSA-N	239.055	-0.724	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H](C)S(N)(=O)=O	398236257	LZKVJOHMQJUIAC-PHDIDXHHSA-N	242.728	-0.346	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccnc(B(O)O)c2)C[C@H]1F	404973718	UQACIMLOCPIFMI-GMSGAONNSA-N	238.027	-0.552	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(F)cc1B(O)O	404994457	WZIBCBGWOLTVJF-ZCFIWIBFSA-N	241.027	-0.521	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2CCC(=O)NN	686191056	KEPPDWYMUJSALN-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
CCCN(CC(C)(C)O)[C@@H](C)C(=O)NN	689926681	BKGDDYWMHYLLSP-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CN(CCOC(C)(C)C)C(=O)C(=O)NN	690107566	QUMQEQGUQYNFEU-UHFFFAOYSA-N	217.269	-0.750	50	10	BBGE	
CN(C)C[C@@H](Cl)CN(C)c1nnnn1C	690272353	SLOBGUWGRZLZKC-SSDOTTSWSA-N	232.719	-0.185	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)C(=O)NN	694428490	ACNHTHNFZUEVQP-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN2CC[C@H]1C2	695088884	WEAIWTOTSYEDAQ-WDEREUQCSA-N	240.351	-0.219	50	10	BBGE	
Cc1cc(Cn2nc(C)c(B(O)O)c2C)ccn1	698155039	AQYBIFBRAQMJTD-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
CC[C@@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423866	GOTBRDBWKMZEAY-ACZMJKKPSA-N	226.232	-0.833	50	10	BBGE	
OB(O)c1ccn(CCC[C@H]2CCCO2)n1	703687207	KVENHUGRSKQAMC-VIFPVBQESA-N	224.069	-0.478	50	10	BBGE	
O=C(NCB(O)O)c1cc2ccccc2c(O)n1	706487041	AMQZNWOYNXFOEK-UHFFFAOYSA-N	246.031	-0.318	50	10	BBGE	
C[C@H](CN(C)CCn1cccn1)C(=O)NN	707436304	WUAFRHWADMCJEB-SECBINFHSA-N	225.296	-0.559	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@@H]1COC[C@H]1O	708201046	JRAQHBUWFHKABA-XLPZGREQSA-N	204.657	-0.191	50	10	BBGE	
CS(=O)(=O)N[C@H]1COCC[C@@H]1Cl	711014143	GWHBDMWHWCBXBV-WDSKDSINSA-N	213.686	-0.068	50	10	BBGE	
CC(F)(F)CCCn1cc(B(O)O)cn1	718587491	KQXOIIRRPNMFBO-UHFFFAOYSA-N	218.012	-0.002	50	10	BBGE	
Cc1nnc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)o1	718879173	WYFRHELAPWQFPG-BQBZGAKWSA-N	237.215	-0.206	50	10	BBGE	
C[C@H](C(=O)NNC(=O)[C@@H]1COCCO1)C1CC1	747878096	ANWMLZSETZENRM-CBAPKCEASA-N	242.275	-0.405	50	10	BBGE	
CC(C)C(=O)NNC(=O)C1(C(=O)N(C)C)CC1	806340507	RPJWJSNVTYRUMJ-UHFFFAOYSA-N	241.291	-0.342	50	10	BBGE	
Cn1cc(C=NNC(=O)[C@H]2CCCO2)nn1	814241935	YXEXMILCUOXNLJ-MRVPVSSYSA-N	223.236	-0.556	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@@]1(C)CCCO1	854690079	PGIAPMOIQXXZCO-WDEREUQCSA-N	242.275	-0.360	50	10	BBGE	
Cn1nncc1NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	857272869	JDJOJSHIOWMAHB-NBEYISGCSA-N	237.263	-0.317	50	10	BBGE	
CC1(C(=O)NNC(=O)c2cnsn2)COC1	894289345	MPMHCOYHFABQHT-UHFFFAOYSA-N	242.260	-0.664	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1	1135817791	CEEQGXQUOBTNSQ-ZETCQYMHSA-N	237.263	-0.913	50	10	BBGE	
Cc1nnc(NNC(=O)c2n[nH]cc2F)n1C	1167551094	NBDFDEVMKPRMPW-UHFFFAOYSA-N	239.214	-0.257	50	10	BBGE	
Cc1nc(C(=O)NNc2cnnn2C)co1	1306850254	MGZNSJAXCXKZIV-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
C#CC(=O)NNC(=O)c1cccc(F)n1	1306882691	XGHXYEVTWAOWHX-UHFFFAOYSA-N	207.164	-0.385	50	10	BBGE	
CC(=O)NNC(=O)c1cccn(C)c1=O	1326414182	XHXHPAMZVSARGQ-UHFFFAOYSA-N	209.205	-0.834	50	10	BBGE	
CCNC(=S)NNC(=O)c1ccnnc1	1345203224	BYCJBYAQTFYURC-UHFFFAOYSA-N	225.277	-0.395	50	10	BBGE	
Cc1nnc(NNC(=O)c2cc(=O)cc[nH]2)n1C	1453867624	GXZNTLQXVOSVFS-UHFFFAOYSA-N	248.246	-0.431	50	10	BBGE	
CC(=O)NNC(=O)C1=CS(=O)(=O)CCC1	1463827080	FWBIJQWGXCNWJC-UHFFFAOYSA-N	232.261	-0.754	50	10	BBGE	
CCCCNC(=O)NNC(=O)C=NOC	1543949575	UXIHAOXHTQVKHT-UHFFFAOYSA-N	216.241	-0.251	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1nnnn1C	1556286297	HXIRBVXTOXYHRM-VOTSOKGWSA-N	236.235	-0.730	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1616378287	KVKIEJIGVPXMPN-VEMNSZJBSA-N	238.247	-0.584	50	10	BBGE	
O=Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)co1	1632708652	NXSFRGMJZMYQQY-UHFFFAOYSA-N	248.198	-0.110	50	10	BBGE	
COCCN(C)NC(=O)C[C@@H]1COC(=O)C1	1636379549	OGMBKYFLXPOOQU-QMMMGPOBSA-N	230.264	-0.451	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C[C@@H]1CCC(=O)NC1	1639064617	TXCAFEUJMNGHQS-IUCAKERBSA-N	243.307	-0.754	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnc2[nH]cnc2c1	1648831329	DUCDKTLEEPWPSE-UHFFFAOYSA-N	244.218	-0.167	50	10	BBGE	
C#CCOCCC(=O)NNc1nc[nH]n1	1648831524	IWZLWLCFACYYOX-UHFFFAOYSA-N	209.209	-0.712	50	10	BBGE	
CNC(=O)CNC(=O)[C@@H]1C[C@H]1Br	1877333417	ANFHENDZNOWWBZ-RFZPGFLSSA-N	235.081	-0.368	50	10	BBGE	
C[C@@]1(O)CN(S(=O)(=O)CCl)CC[C@@H]1O	1877857220	HMIMIKJJTYLRJU-NKWVEPMBSA-N	243.712	-0.670	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@H]2Cl)COC1	1883568971	ZGTCQDQNHKESOE-NTSWFWBYSA-N	204.657	-0.542	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@@H](C)C(=O)NN	1890042964	LYGBLZCSXLPVHS-JGVFFNPUSA-N	203.286	-0.687	50	10	BBGE	
C[C@H](O)C[C@@H](C)N1CC[C@@H](B(O)O)C1	1891517449	OQQCMVZPTCNHKH-HRDYMLBCSA-N	201.075	-0.306	50	10	BBGE	
O=C1NCC[C@@H]1CCNS(=O)(=O)CCl	1892876436	KQIVQUMILCUXME-ZCFIWIBFSA-N	240.712	-0.372	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1Cl)[C@@H]1CNC[C@H]1O	1893453486	NIXVIXFFNKNEGN-LXGUWJNJSA-N	218.684	-0.595	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@H]1COC[C@H]1O	1897219087	CHBACPZLKYZNBY-HTQZYQBOSA-N	247.678	-0.178	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@@H](O)C1	1901761607	FFSLFONMOZNRDI-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	1902003048	GZWHYYNESARVHU-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CC[C@](C)(CN(C)C1CN(C)C1)C(=O)NN	1902717096	ZKESQRBCJCQWQB-LLVKDONJSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](C[C@@H]1CCOC1)n1ccc(B(O)O)n1	1905268339	ZBNUXLMUXKFOIW-IUCAKERBSA-N	224.069	-0.450	50	10	BBGE	
C[C@]12CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@]1(CO)C2	1906338951	GGDKBPOPDTYVDN-BSJXLVFVSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(CCC[C@@H]2O)C1	1918418371	GIYAEZVLFDWAQE-WCABBAIRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1927918815	XRIPYZGVYJFZPM-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
CN(CCCl)C(=O)Cn1ccnn1	1928689512	WXZAVIHNJWXAAU-UHFFFAOYSA-N	202.645	-0.025	50	10	BBGE	
NC(=O)[C@H](NC(=O)CBr)C1CC1	1932384976	NGZHNPAUOJJYEV-ZCFIWIBFSA-N	235.081	-0.239	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1935707248	SEADBIMODIEMJX-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCCOC1	1936091200	LORQAADSOFGMLO-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CCCC1(O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094229	LLKNWDXSKLCNMC-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CN(CCCCCO)C[C@@H]1C[C@@H]1C(=O)NN	1936095682	ZWEVEOQSVWFZKF-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CC(C)N(CCOCC(=O)NN)CC(F)F	1936531364	STPLSAZPSXAYAK-UHFFFAOYSA-N	239.266	-0.032	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1938466011	XUBOKXBMBGGMOY-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2OCC[C@@H]2C1	1940891564	CHZAORLGRQFEPS-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
C[C@H](O)C1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941074623	SXEMZBAGZQWMOM-GDPRMGEGSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941089241	UYMVRWOJQWITEO-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CC2)CC12CC2	1945882657	LHPUVXHFCYILKM-SECBINFHSA-N	239.319	-0.133	50	10	BBGE	
COc1ccc(CN(C)C(=O)C(=O)NN)cn1	1950960363	WLTMWJBGNYONGC-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1nc(=O)o[nH]1	1954102279	WZMQMVPRNXNWCM-GSVOUGTGSA-N	205.601	-0.394	50	10	BBGE	
O=C(N=C=S)C1[C@H]2CS(=O)(=O)C[C@H]12	1954212480	QQXCVPUQVXMDCU-WHFBIAKZSA-N	217.271	-0.094	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@H]1C[C@@H]1CCl	1954308080	LYLJNYZAXUBCHV-RITPCOANSA-N	225.697	-0.226	50	10	BBGE	
COC[C@@H](C(=O)NN)N(OC)C1CCC1	1960109120	PBMPMNQPLPTCBX-QMMMGPOBSA-N	217.269	-0.593	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@H]21	1960970124	VRSCQURSVFQANG-HRDYMLBCSA-N	212.297	-0.857	50	10	BBGE	
Cc1nc(N2CC[C@H]2C)ncc1B(O)O	1961705652	GDFMASRUIITTOS-ZCFIWIBFSA-N	207.042	-0.937	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CCOCCCl)C[C@@H]12	1978816554	MFPBRWOXZNPIAV-HTQZYQBOSA-N	246.694	-0.554	50	10	BBGE	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)NN	1980742595	XUYNUERDQYXELH-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
OB(O)c1cncnc1N1CC2CC(C2)C1	1981413478	HEFADKIBLRXVMC-UHFFFAOYSA-N	219.053	-0.997	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ccncc1B(O)O	1981425674	JBVUWTURXJVKEP-DTWKUNHWSA-N	220.081	-0.146	50	10	BBGE	
CN(c1ncc(Cl)cc1B(O)O)C1COC1	1981469336	QOVLMICBPKJSRX-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=CC[C@H]1CO	1983178703	BHWIDOXNEKJDFF-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
COC[C@]1(F)CCN(CCCC(=O)NN)C1	1984645576	MPVVGAWEZSFLLZ-JTQLQIEISA-N	233.287	-0.183	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H]2CF)n1	1986090152	XZSNDNOEXUFDDF-ZCFIWIBFSA-N	228.227	-0.178	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1(CCO)CC1	1988601811	RXMSNKCONVZGAQ-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)O)N1CC(NC(=O)[C@@H]2C[C@H]2Cl)C1	1991674163	BJQRXKOSJZIPEA-LPBLVHEISA-N	246.694	-0.113	50	10	BBGE	
CC1(C)CC(CC(=O)NCC#CB(O)O)C1	1992126505	XQMXCSJSMWQJKG-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C)[C@@H](C)C1)B(O)O	1992146128	QUQVWQNOOSSCLZ-WDEREUQCSA-N	226.129	-0.031	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@]12CCCOC2	1992177343	ABTXLYBSNTUXGU-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
NCCCSC[C@]12C[C@](C(=O)NN)(CO1)C2	1993883482	JCFVVLRBTYIMJY-MGCOHNPYSA-N	245.348	-0.393	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@H]3C[C@@H]32)nc1	1995199177	LYYULEHFMRFNLG-CNUIFLNQSA-N	220.037	-0.666	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]1c1ncon1	1997763975	CRIOMQBJOSQMSN-YUMQZZPRSA-N	239.279	-0.169	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@H]1C[C@@H]1C(=O)NN	2003784253	IFPBCSIGAKIFFO-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C(=O)N1CCc2cccc(F)c2C1	2004325215	CXKBIIFBNXGRBW-UHFFFAOYSA-N	237.234	-0.300	50	10	BBGE	
COc1cc(C=O)cc(B(O)O)c1OC(F)F	2004856947	SMOPMSPWBPNQSM-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1cc(N2CC[C@@H]3C[C@H]3C2)ncc1B(O)O	2005014268	IZGXTVIAYAYKSG-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
CCN(CC)CCOc1ncccc1B(O)O	2007034446	BIRWGOHNHCFWQC-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
Cc1nn(C[C@@H]2OCC[C@H]2F)c(C)c1B(O)O	2009186100	MAGKTIUUVQQGFB-BDAKNGLRSA-N	242.059	-0.693	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CO[C@H]2CCOC2)O1	2018243040	OXJXXLDCVZEOHG-IVZWLZJFSA-N	244.291	-0.281	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(C)=O	2019218691	HDNNNRKMWBAYRO-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
COc1ccncc1C(=O)NCC=CB(O)O	2020059644	PTIQMMHKGDUMDN-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
NNC(=O)c1coc(CN2O[C@H]3C=C[C@H]2C3)n1	2021851217	DPSDQRPRZAAHEG-BQBZGAKWSA-N	236.231	-0.278	50	10	BBGE	
Cc1cc(OCC2CN(C)C2)ccc1B(O)O	2022090696	JWCBEEAEVKHXKG-UHFFFAOYSA-N	235.092	-0.385	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]1[C@H]2CO)C(=O)NN	2024086297	MCAUFMXGVVHIFJ-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ncccc3B(O)O)C[C@@H]12	2042942833	GAKXCUWYOUEGLT-RGNHYFCHSA-N	246.075	-0.254	50	10	BBGE	
CN(CC1C[C@@H]2C[C@H]2C1)c1ncc(B(O)O)cn1	2052473836	XTGWWJRXNPELBN-NXEZZACHSA-N	247.107	-0.361	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1[C@H]2COC[C@H]21	2054204018	OXMXEKAHZBAVPS-JGPRNRPPSA-N	247.059	-0.803	50	10	BBGE	
Cn1nccc1COCc1cccc(B(O)O)c1	2080303465	GTJFOHPSGWMDAY-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@H](CN1C[C@H](O)CCC12CC2)C(=O)NN	2211243897	IOKLWTAPMARHQZ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
Cc1ccn(-c2nccc(B(O)O)c2F)n1	2212594526	IAPALPSNMDPQFA-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2212610352	HKPRSZVIHKUDGB-RKDXNWHRSA-N	220.081	-0.359	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H](O)C[C@@H](F)C1	2213884000	LWFMIWCZRGBLAY-NXEZZACHSA-N	247.314	-0.059	50	10	BBGE	
C[C@H]1C[C@H]1CCN(C)c1ncncc1B(O)O	2215322569	WLRKTYDZKAHMGK-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCO[C@@H](CF)C1	2215777295	RQAOQMYJAARQNX-KXUCPTDWSA-N	245.298	-0.327	50	10	BBGE	
Cc1nn(CC2(C(=O)NN)CCC2)c(=O)n1C	2216496973	HJZCSKJCUILKFH-UHFFFAOYSA-N	239.279	-0.950	50	10	BBGE	
COC[C@@H](C)OCC1(C(=O)NN)CCOCC1	2216865417	GNONPEOKRGLQRT-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)c1ncccc1B(O)O	2217171291	AERBBCPFQCOKFL-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@H]2C[C@H]2C)cc1B(O)O	2217181194	NTYWFXXEMZFSIT-PSASIEDQSA-N	234.108	-0.050	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@H](N)C2)cc1B(O)O	2217184638	VCUKFFNEVQPGLI-KYZUINATSA-N	235.096	-0.781	50	10	BBGE	
CC[C@H](C)N(CCO)c1ccc(B(O)O)cn1	2217195852	AKXNFTVJFWAIGU-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1c1ccc(B(O)O)cn1	2217199467	MNPKGYREZKQRCE-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNC2(CCC2)C1	2223631620	YUGSNSGXAIURRQ-VIFPVBQESA-N	248.091	-0.575	50	10	BBGE	
Cc1cnc(N2CCN[C@H](C)CC2)cc1B(O)O	2223648505	MDDGRWURFJWKQP-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1ccc(NC2([C@H]3CCCO3)CC2)nc1	2223652753	LCZMZLILSJUHLP-SNVBAGLBSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNC3(CCC3)C2)c1	2223659766	BPAKNPPROICOHI-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
COC[C@@H](C)N1CCC(B(O)O)CC1	2241742377	ZBXKHZVCYMUUGW-MRVPVSSYSA-N	201.075	-0.040	50	10	BBGE	
COC[C@H](S[C@H]1CC[C@H]1O)C(=O)NN	2242387615	GUVGTSHTDZBMSN-VQVTYTSYSA-N	220.294	-0.752	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	2243064559	VBFBARGWARGKCF-SSDOTTSWSA-N	227.264	-0.854	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1coc(B(O)O)c1	2243347609	OOXJRIFIPHDDAA-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC=CC[C@@H]2C1	2243357281	ULPVYQZCWWGSPI-NXEZZACHSA-N	219.049	-0.574	50	10	BBGE	
CCN(O)C(=O)c1sc(C)c(C)c1B(O)O	2243377028	SWODKQHOMVTGEH-UHFFFAOYSA-N	243.093	-0.104	50	10	BBGE	
O=C(NO[C@@H]1CCOC1)C1CC(B(O)O)C1	2243396670	PIFGZYLCUSJYIB-KAVNDROISA-N	229.041	-0.924	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccc(B(O)O)o1	2243408345	LLLCXFSPDOFNAG-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
CC=C1CN(C(=O)c2occc2B(O)O)C1	2243409054	AHWOCPNEWBBCAQ-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H](C)[C@@H]1C)B(O)O	2243427225	SADGJHDTZBGJEQ-APPZFPTMSA-N	247.125	-0.385	50	10	BBGE	
C[C@H](C[S@](C)=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427492	WKLVCUYXVSLGQY-ITOYFRGTSA-N	247.125	-0.877	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COC2(CCC2)C1	2243872760	WCHWJDCWWJVZGW-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C[C@@H]21	2244205672	MABIDROLZGYZRC-XPUUQOCRSA-N	221.021	-0.806	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)NC(=O)CCl)C(N)=O	2246270291	XIRCBZLLORJVTE-VDTYLAMSSA-N	249.698	-0.049	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)oc1C	2247721874	IKYDVFMHAXASIQ-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247748085	XOEJLPIHRSWTPD-QMMMGPOBSA-N	233.032	-0.899	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccc(B(O)O)c(F)c1	2247751724	BFTCYSADIRZYBJ-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
O=C(N1CCn2nccc2C1)C1(B(O)O)CC1	2247755145	HBNSEYXRLXDWQU-UHFFFAOYSA-N	235.052	-0.768	50	10	BBGE	
O=C(NCCCC(F)F)c1occc1B(O)O	2247756704	UJLMXSFMEBOACZ-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)cn1C)C1CCC1	2247764289	QYVWUGKFVIPDHY-UHFFFAOYSA-N	236.080	-0.671	50	10	BBGE	
CC1(C)CCCN1C(=O)c1c[nH]nc1B(O)O	2247781567	MJJMBZQKFIAMDN-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
O=C(NC[C@@]12COC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247787087	KTOMTUYFWKOSSY-CKEKPRIKSA-N	239.080	-0.608	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C2CC(B(O)O)C2)O1	2247797683	MBMXMXGXHQLVEH-AUXWQGHOSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@]12CCNC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247807428	IAMLPYKHEPCOPK-KBIXCLLPSA-N	238.096	-0.892	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N1CCCC1	2247807908	SCEJJHDEHMDOGB-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2247842745	ZJLSRIIZPBYSSR-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CC(C)[C@H]1C[C@H](NC(=O)C#CB(O)O)CCO1	2247850213	LKUUQIJYSFJHIQ-NXEZZACHSA-N	239.080	-0.678	50	10	BBGE	
O=C(NCC1=CCCC1)c1coc(B(O)O)c1	2247853172	HHEKMEGWTONEDA-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
CC(C)C[C@](C)(CN)NC(=O)C1(B(O)O)CC1	2247853327	KKHRFLJWRHPVEA-SNVBAGLBSA-N	242.128	-0.127	50	10	BBGE	
CC(C)(CCCO)CNC(=O)C1(B(O)O)CC1	2247853871	SUNJFUNYKYFWFY-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ccoc1B(O)O	2247866699	QPCFVEVUCLHWQG-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
C#CCCNC(=O)c1cccc(F)c1B(O)O	2247871343	ZVDRTAHIJWNEAU-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=CCCC1	2247878087	HMYLHXJLKMWXEZ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C=C(C)CNC(=O)c1ncc(C)cc1B(O)O	2247892010	RXEOGRQNFROWQE-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247893396	QWVDNOJPUXISFR-AFWXGSBKSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCOC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893866	ZUUIMWCFGHRAHE-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
CC(C)[C@H](C)[C@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247898709	HCDBDVKAUWHWMT-SGIHWFKDSA-N	242.128	-0.415	50	10	BBGE	
O=C(O)[C@H](F)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586852	IHXQPGMQPRXWAW-DSYKOEDSSA-N	247.031	-0.832	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@@H]1C	2248970704	YKKRCHPRTKTPEL-QMMMGPOBSA-N	234.064	-0.696	50	10	BBGE	
C#CCC1(NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255474330	QTXZRLDFQYPMAE-UHFFFAOYSA-N	246.075	-0.630	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1c(F)cccc1B(O)O	2255512133	VKQHGQYAPDJJAW-IIDWOEFGSA-N	249.050	-0.356	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ncccc1B(O)O	2255518053	ZEQFYCFSRXXKGJ-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2CCC[C@H]21	2255521529	XMCTUNNFLZYTAH-PSASIEDQSA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1cc(B(O)O)n[nH]1	2255553188	VPXGRSYHLHLUHB-KAVNDROISA-N	249.079	-0.992	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1c[nH]nc1B(O)O	2255677152	CQXUBMFXUREYHN-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC[C@@H]2C[C@@H]21	2255690430	AMXIELUBGRHAQI-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1ccc(B(O)O)cn1	2255710478	LDBVKDKZCRTUTD-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255742397	BIKKFDGQNXIPHM-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
C=CC1CCN(C(=O)c2n[nH]cc2B(O)O)CC1	2255763420	LDWVPCYHSYYQIX-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1C[C@H]2CCC[C@H]1C2	2255798479	VAQDXXKWWMFZEG-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)O1	2298371898	ZAWKLOAUIVYLTM-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@@H]2[C@H]1CCCC2(F)F	2298375055	WQBDMGJURYELQC-YEPSODPASA-N	243.018	-0.448	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2CC1(CO)C2	2299769153	YMGNQCBFQHGJSA-QMFGVRBNSA-N	239.080	-0.777	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1CC(=O)NNC(C)=O	2299872810	KZUIKOLFVXCDJP-GXSJLCMTSA-N	243.307	-0.611	50	10	BBGE	
CC[C@](C)(CN1CCN(C)C(=O)C1)C(=O)NN	2303419453	AGRVGFSISCGUEP-LLVKDONJSA-N	242.323	-0.833	50	10	BBGE	
NC[C@@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303848259	WVLRMIPXSHYFMM-SECBINFHSA-N	239.059	-0.950	50	10	BBGE	
CC1(Oc2cc(B(O)O)c(F)cn2)CC(N)C1	2303848899	DZXGVBUFKXVZAW-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1CCN1	2317349691	HOGORHZKSVXJFP-PELKAZGASA-N	249.075	-0.692	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)C[C@@H]1CCO1	2318631944	NMXMESZUSJOUQJ-ZDUSSCGKSA-N	249.119	-0.104	50	10	BBGE	
COCC(=O)N/N=C1\N=C(N)c2ccccc21	31907767	LBKDRYWIZJNBFS-UHFFFAOYSA-N	232.243	-0.170	50	10	BBGE	
NNC(=O)CSc1nnnn1C1CC1	37390057	NHSAJONCJSBGSS-UHFFFAOYSA-N	214.254	-0.910	50	10	BBGE	
N[C@@H](CO)CC(Br)C[C@@H](N)CO	44467202	YFSZBYNOFOTJRK-RNFRBKRXSA-N	241.129	-0.831	50	10	BBGE	
C=C(CC(=O)NNC(=O)c1ccncc1)C(=O)O	82312077	ZCFIZWYWTATRRI-UHFFFAOYSA-N	249.226	-0.127	50	10	BBGE	
C[C@H](Oc1cccc(C(N)=O)c1)C(=O)NN	82464278	AZZNCZOSJPHJGD-LURJTMIESA-N	223.232	-0.457	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1CCCO)C(=O)NN	82468754	APOVNCSPNQGEPD-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CN(C)C(=O)CN(C)C(=O)CBr	82506351	XQRLCSAKSZORTE-UHFFFAOYSA-N	237.097	-0.072	50	10	BBGE	
CC(=O)NNC(=O)Cc1csc(CCN)n1	82696475	RFTFKAHYJNNGEQ-UHFFFAOYSA-N	242.304	-0.646	50	10	BBGE	
O=C(NCCCl)C(=O)NC[C@@H]1CCCO1	170341551	QHNZTPVQIPRSCS-ZETCQYMHSA-N	234.683	-0.363	50	10	BBGE	
CCC[C@@H](N)C(=O)N[C@@H](CCl)C(=O)O	209511059	HKHSYFRVFBSWOT-RITPCOANSA-N	222.672	-0.078	50	10	BBGE	
NNC(=O)COc1ccc(CC(=O)O)cc1	218082523	URUYLNASGPDCKP-UHFFFAOYSA-N	224.216	-0.318	50	10	BBGE	
CCC[C@H](Cl)[C@H](O)[C@@H](O)[C@@H](O)CO	238235955	GSIMLUVFAXEHQL-XAMCCFCMSA-N	212.673	-0.531	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CCCO1	251490688	GOKNHRRBIWQBET-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2[nH]cnc2c1	259079975	ZJIUPWDIYQLKEY-QMMMGPOBSA-N	205.221	-0.447	50	10	BBGE	
CO[C@@H]1O[C@@H]2[C@H](Cl)C(=O)O[C@@H]2[C@@H]1O	307147048	HQNVETSECVIEJK-QVVHOTIMSA-N	208.597	-0.749	50	10	BBGE	
O=C1NC[C@@H]2CCN[C@@H]2[C@H]1Br	307757164	KCXRICAXNQJCTA-JKUQZMGJSA-N	219.082	-0.142	50	10	BBGE	
COC[C@@H]1CCCCN1[C@H](C)C(=O)NN	307775585	WSWSSKDAZUYLMU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C#CCNC(=O)COC(=O)CCCl	308184987	IOJAZKFCFRZWRQ-UHFFFAOYSA-N	203.625	-0.092	50	10	BBGE	
CO[C@]1(C)CCN(CCCC(=O)NN)C1	308799656	DHKFYFYPDRBBFP-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[S@](=O)CC1	321851304	HEBXQDXOUXYVAQ-GLEZIHRCSA-N	233.337	-0.791	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H](O)CC1	378798165	RUCQUKIMGHGPBY-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC2(CCC2)C1	380356103	VYWTWJXSNPIVSL-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(C(=O)NC(=O)CCl)C[C@@H]21	384948948	VDJJEOSTYPJZLJ-QMSLJYSESA-N	245.710	-0.047	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)[C@H]1C)C(=O)NN	385765125	YCRMDCRZSWTZIW-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
Cn1ncc(C(=O)N[C@@]2(CCl)CCOC2)n1	393944936	DRFVFJPTLZLIKO-SECBINFHSA-N	244.682	-0.057	50	10	BBGE	
C[C@@H](O)CN(C)CCC(C)(C)C(=O)NN	395630244	LWMFWESWAHWOMS-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
Nc1ccc(CO)c2cc(B(O)O)sc12	396246252	JYAKRVOQOMWKLQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CNC(=O)CCS[C@H](C)CC(=O)NN	399153241	AKQPCZCJTUITJN-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	399445399	XXKZIRPMFZZKCH-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CCOCC(=O)Nc1ccc(F)cc1B(O)O	404931314	DRIZNAVSGHMBDK-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
CNC(=O)N(C)Cc1ccc(B(O)O)cc1	405074483	CPONYROJHHDILZ-UHFFFAOYSA-N	222.053	-0.862	50	10	BBGE	
C[C@@H]1CCN(C(=O)N2CC[C@@H](B(O)O)C2)C1	585056556	QPWXGRFTGIDCMM-RKDXNWHRSA-N	226.085	-0.003	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](C(F)F)CC1	686836715	IIDQONNWSCFDBG-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)Cc1cccc(B(O)O)c1	688226413	XGIHYOSAMYHJIU-GWCFXTLKSA-N	249.119	-0.167	50	10	BBGE	
COC1(Cn2ccc(B(O)O)n2)CCCC1	694274782	DDADKQVZNXVWKK-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
Cc1nn(Cc2ccc(C(=O)NN)cn2)c(=O)o1	694826573	YURJMQQOHKAISN-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(COC2)C1	697134307	RPEYYMRENXATOY-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C=CCOc1cc(B(O)O)ccc1OC	700786924	YNRZQPSVDHMPJO-UHFFFAOYSA-N	208.022	-0.060	50	10	BBGE	
O=C(/C=C/c1cccnc1)NCB(O)O	701932521	PYFMEXBZCDKMTH-ONEGZZNKSA-N	206.010	-0.777	50	10	BBGE	
CC(C)N1C[C@H](C(=O)NNC(N)=S)CC1=O	706007406	QXYNUIHTWMOBAJ-ZCFIWIBFSA-N	244.320	-0.892	50	10	BBGE	
CCCOCOc1cncc(B(O)O)c1	709743881	OVULPFQJGPPSRJ-UHFFFAOYSA-N	211.026	-0.476	50	10	BBGE	
CN(CC1CCSCC1)C(=O)C(=O)NN	718293406	CPZKJWSUTVTXCB-UHFFFAOYSA-N	231.321	-0.422	50	10	BBGE	
COc1cc(C)nc(C=NNC(=O)CO)c1	776778591	YSTRTFFUFMSBKD-UHFFFAOYSA-N	223.232	-0.159	50	10	BBGE	
Cn1nncc1C=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	844613223	YXPMQMYATXEUIG-KXUCPTDWSA-N	249.274	-0.167	50	10	BBGE	
C=CC(=O)NCCC(=O)NNc1cccnn1	1116549524	FIRSZBICAKHLQS-UHFFFAOYSA-N	235.247	-0.388	50	10	BBGE	
CS(=O)(=O)CC1CC(=O)OC(=O)C1	1536188549	VLMFVUPTZSCWRM-UHFFFAOYSA-N	206.219	-0.489	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cc1nc[nH]n1	1542470993	GAYLITJXFCLHSV-UHFFFAOYSA-N	226.240	-0.914	50	10	BBGE	
CCC(=O)Nc1ncccc1OCC(=O)NN	1858716494	XQDYYKCKRQXDKW-UHFFFAOYSA-N	238.247	-0.201	50	10	BBGE	
O=C(NOCCO)[C@H]1C[C@H]1Br	1880434047	MLTRGISXBMYMIE-CRCLSJGQSA-N	224.054	-0.190	50	10	BBGE	
COCC1(NS(=O)(=O)CCl)COC1	1882929500	FHUHILABUMKMEL-UHFFFAOYSA-N	229.685	-0.483	50	10	BBGE	
NC(=O)NC1CN(C[C@H]2C[C@@H]2Cl)C1	1883553599	REPONXVIPUXNEY-VDTYLAMSSA-N	203.673	-0.034	50	10	BBGE	
O=C(CCCl)N1CCC[C@H]1[C@@H](O)CO	1885363501	GMTKCKNCVCIAHS-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
O=C(CCl)N1C[C@H]2CS(=O)(=O)[C@H]2C1	1887071696	IRYCOSKBHXDIHQ-WDSKDSINSA-N	223.681	-0.519	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@@H]1COCCN1	1893106779	HVJMUYNLLBGTNF-RNJXMRFFSA-N	218.684	-0.282	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1893452087	BHYNMNPQXBSCGA-BWZBUEFSSA-N	220.700	-0.348	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)[C@H](O)CO	1893505468	VYFTXAIWVLYKRU-KFBNRENSSA-N	221.640	-0.834	50	10	BBGE	
CC1(C)[C@@H]2[C@@H](CCN2CC(=O)NN)[C@H]1O	1894059349	ZIYHTINQQHNAHN-BWVDBABLSA-N	213.281	-0.933	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C(F)F)CC1=O	1895300591	OVYGCPJFABSUEG-PHDIDXHHSA-N	235.234	-0.132	50	10	BBGE	
COC[C@H]1CCN([C@H](C)CC(=O)NN)C1=O	1896918769	UQYZJSALGLSOHT-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CN1CC[C@@H]1COCc1ccc(B(O)O)s1	1899515924	PQDUUHBKZIYLRC-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN([C@H](C)C(=O)NN)C2	1899568219	KKLRMITXSCDNEF-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
C[C@H]1C[C@H](C)C1N(C)CCOCC(=O)NN	1901155118	XYNVZHRJHUZWKP-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	1902101244	FRACWQBKMIYUDQ-VGMNWLOBSA-N	229.085	-0.675	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@]23CCOC[C@H]2C3)C1	1902506352	RVLUDAYGTTXLEQ-GMTAPVOTSA-N	225.097	-0.038	50	10	BBGE	
O=C(CN1CC[C@H](B(O)O)C1)NCC1CC1	1902517020	WHGMEBVXRDTKJB-VIFPVBQESA-N	226.085	-0.939	50	10	BBGE	
C=C(CC)CN=c1cc(B(O)O)c(F)c[nH]1	1903010531	QSUURTMKTWCKLZ-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@@H](O)[C@H]1CF	1905009685	ORBQTZDXROCWRK-CHKWXVPMSA-N	225.647	-0.483	50	10	BBGE	
Cc1c(O)nn(C[C@@H](C)C(=O)NN)c(=O)c1C	1912236757	HPAMKNSCLDJUKR-RXMQYKEDSA-N	240.263	-0.808	50	10	BBGE	
CCCS(=O)(=O)N(CC)CCC(=O)NN	1913473464	FBYDAAXOGSRHAQ-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C(C)(C)C(N)=O	1915525596	YQRCVAQZDZQCRE-NKWVEPMBSA-N	230.312	-0.803	50	10	BBGE	
C[C@H](CCO)N(C)[C@H](C)CCC(=O)NN	1917042573	FCDVTBXPZRLGGS-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC1	1917096969	MXJHKYDVYXHDRZ-LLVKDONJSA-N	245.286	-0.038	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1917551055	VHHRDPQHJPZNHN-SQQIUAQRSA-N	210.277	-0.108	50	10	BBGE	
COC(=O)CCSCC(F)(F)C(=O)NN	1927811980	DGOSKWPNORTLJP-UHFFFAOYSA-N	242.247	-0.092	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1C[C@@H]1C(=O)NN	1927913449	JGZGHWOBADKOLM-YIZRAAEISA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CS2	1927916426	PUIWOMLLEUIZKC-RBXMUDONSA-N	227.333	-0.198	50	10	BBGE	
Cc1nsc(SCCOCC(=O)NN)n1	1928181827	RVVJCPRGZFIFEP-UHFFFAOYSA-N	248.333	-0.055	50	10	BBGE	
CC[C@@H](O[C@]1(C)CCOC1)C(=O)NN	1928533706	HSBXFQSPECUDPQ-VXNVDRBHSA-N	202.254	-0.050	50	10	BBGE	
C[C@@H]1CCOCCN1[C@H](C)CC(=O)NN	1929658942	GQBVRBRGKQLFPW-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNCCO)[C@@H](C)O1	1929834165	WZIHNBYNQGRRBJ-BWZBUEFSSA-N	202.254	-0.587	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)C2(CC2)C1	1930234883	CRZKHVAZUNGSOQ-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]3C2=O)CC1	1931266707	JHEOZBXQBQQPKJ-RNFRBKRXSA-N	209.249	-0.765	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)O1	1936526563	NYFFRYYCFPTRPM-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(CCN1CC[C@@]1(C)CO)C(=O)NN	1938798880	IZDJKJHFZWFDAR-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@]12CCOC2	1940886248	CERMPLAZUYOEQJ-VIFPVBQESA-N	249.261	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(CCO)CC1	1941090160	NLYNQMXUPRULIK-GHMZBOCLSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1CC1(C(=O)NN)CC1	1945882768	MSOZUGNVNWBUMC-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@H]3C2)CC1	1945883148	UUAOZKAXHWFXBZ-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
COC[C@]1(OC)CCN([C@H](C)CC(=O)NN)C1	1946474883	QFRWCSGALXGBCD-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1947203459	PPRZJDDWLNRGNU-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
Cc1cn(-c2nc(B(O)O)cs2)c(C)n1	1961710532	RAIVNSUKZHTWLA-UHFFFAOYSA-N	223.066	-0.375	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961926425	MUOJTHNMEDRYRT-VFCFLDTKSA-N	235.711	-0.598	50	10	BBGE	
CN(C)CCCOCC(C)(C)C(=O)NN	1974677403	HSDCIWXVDLHZNK-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CC(C)N(C)Cc1nn(C)cc1C(=O)NN	1980594535	SXQWNVUUXGFYOH-UHFFFAOYSA-N	225.296	-0.136	50	10	BBGE	
CS[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1N(C)C	1980886345	CKFBOKAXFFVZQC-IWSPIJDZSA-N	246.380	-0.658	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ncncc1B(O)O	1981409133	JJRPLAHIPOQKCU-NKWVEPMBSA-N	225.032	-0.907	50	10	BBGE	
C[C@H](CN1C[C@H](C(F)F)CC1=O)C(=O)NN	1982224872	SGSXFCBEIBMWBD-PHDIDXHHSA-N	235.234	-0.274	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	1986121997	WCXDETHGYRTVNC-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1CC1(C(=O)NN)CC1	1989116062	CCODRWWTTDLOKH-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
CCOC1(C)CN(CC(=O)NNC(C)=O)C1	1990774552	KNYJRMMNILRBGU-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
NCC[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991652386	MTYKNHPPGPAFMA-MRVPVSSYSA-N	246.694	-0.116	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C(=O)C=CC(=O)Cl	1991653815	DIIFFMSZZDXVAN-MRVPVSSYSA-N	248.710	-0.311	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)C1CC(Cl)C1	1991698437	OKOCJISBZOWFRD-VTSJMVTISA-N	244.678	-0.123	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@]12CN[C@@H](CO1)C2	1991706478	PYXYJAXAZJOAFK-MCUNMECYSA-N	244.678	-0.445	50	10	BBGE	
CCN(C)C[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	2003904030	BCURIGKXCSQKJW-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
CN(CC1CCCC1)c1ncc(B(O)O)cn1	2004911057	BXKNGGKOSGBVEQ-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CC1CC(CN(C)c2ncncc2B(O)O)C1	2004911612	JBVINLNRPBEZDM-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
COc1nc(O[C@@H](C)C2CC2)ncc1B(O)O	2004934160	PLOWUOAGZLTUMW-LURJTMIESA-N	238.052	-0.658	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)nc1	2005807561	LTCQGKUOGIYWPC-LKEDHPFLSA-N	231.064	-0.999	50	10	BBGE	
CC(C)C(=O)N1CCN([C@H](C)C(=O)NN)CC1	2011419993	NYYHLWJBVCEQIK-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2nncc2C1	2013645567	ZFEIBGDBZNSSMU-QMMMGPOBSA-N	238.295	-0.748	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2CC(C)(C)C(=O)NN	2014232184	CZHXQPLKISFDBM-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](COC)C(=O)N[C@@H]1CCC=C1B(O)O	2020055675	DEOALGCFEDSBEB-WCBMZHEXSA-N	241.096	-0.124	50	10	BBGE	
O=C(N[C@H]1CCOC1)N[C@H]1CCC=C1B(O)O	2020062826	UUPWOIUUVWKAFK-CBAPKCEASA-N	240.068	-0.825	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@@]3(CO)C2)CC1	2021656523	SCWKCXOITYNIOS-SKDRFNHKSA-N	239.319	-0.539	50	10	BBGE	
Cc1cnn(CC23CC(C(=O)NN)(CO2)C3)c1	2023838704	PANKGMUFJXDHAI-UHFFFAOYSA-N	236.275	-0.269	50	10	BBGE	
OB(O)c1cnc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2026818689	JEPDAVOWNQWDKW-FNCVBFRFSA-N	232.048	-0.810	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@H]1C[C@H]1C(=O)NN	2028055033	ZVDGTLMIMLLTMF-NXEZZACHSA-N	246.270	-0.346	50	10	BBGE	
CN(C)C(=O)N1CCc2cccc(B(O)O)c2C1	2032567710	HLGDRKFUTYGDET-UHFFFAOYSA-N	248.091	-0.594	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H](N(C)C)C1	2052622212	QXBMVSKFDIYWFR-LLVKDONJSA-N	249.123	-0.790	50	10	BBGE	
COc1cc(C=O)c(OC(F)F)cc1B(O)O	2060330243	HKNKTCIWBVHXFD-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3COCC[C@H]32)n1	2073043210	MNMJWUMPCAXXCU-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccncc1O	2076082612	VTSLPWJMVFMMJC-VIFPVBQESA-N	248.047	-0.382	50	10	BBGE	
Cc1cc(NC(=O)c2ncc[nH]2)cc(B(O)O)c1	2077800511	CJQNHOIYICOJAU-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2079010159	XLJYAHOXQKFDBL-NXEZZACHSA-N	245.087	-0.152	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]1C1CCC1	2079373928	GQHPZLXUBLQTGJ-JQWIXIFHSA-N	247.103	-0.036	50	10	BBGE	
OB(O)c1cc(F)cnc1OCC1(F)CC1	2211059113	NYTKODNZGROZIC-UHFFFAOYSA-N	228.991	-0.219	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC12CN(C)C2	2212308609	NWDBPOQBRAIXAY-BDAKNGLRSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC12CN(C)C2	2212308612	NWDBPOQBRAIXAY-RKDXNWHRSA-N	226.324	-0.609	50	10	BBGE	
CC1(CNc2cc(B(O)O)ccn2)COC1	2212601300	MFVXKWSWFSSKGV-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
COC[C@H](C)CNc1ncccc1B(O)O	2212602156	ZLPFPSOAANIVTA-MRVPVSSYSA-N	224.069	-0.544	50	10	BBGE	
CC1=CCN(c2ncc(B(O)O)cn2)CC1	2212602537	FXZXZGDPRQBICN-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
CC[C@H](CCN)Oc1ccc(B(O)O)cn1	2212609887	YYVMIFCSYCMEOU-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@@H](CO)C1	2215777022	QFGPVUFMRKMYJQ-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CO)C2)CCCC1	2216871020	LUWCPULEDVZBCR-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
OB(O)c1ccc(OCC[C@@H]2CCNC2)nc1	2217167517	NZMOVPRYXJCIGK-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
CN(CCC(F)F)c1nccc(B(O)O)c1F	2217178981	DGZVJMPBHSQGJX-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCNC1	2217180226	RHVZIQZSLZTCBL-VIFPVBQESA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1cccnc1OCc1cccnc1	2217182121	ZKADBZHZRSNMCK-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
Cc1cnc(N[C@H](C)CN(C)C)cc1B(O)O	2217184462	PBDOMTPGMDDGKW-SECBINFHSA-N	237.112	-0.568	50	10	BBGE	
CC(C)(Nc1ccc(B(O)O)cn1)[C@H]1CCCN1	2223625647	FEQWLGRNFXWZDB-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncccc2B(O)O)CCN1C	2223632286	HUKNBYKCIAWIQF-VHSXEESVSA-N	249.123	-0.344	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2223633668	ZSNYXBWTQNQAGK-WDEREUQCSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cnc(=NCC[C@]23CCC[C@H]2C3)[nH]c1	2223674529	QHKDSMOPYDPTGZ-CABZTGNLSA-N	247.107	-0.430	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ncccc1B(O)O	2223674559	LSWLZDQMWVTSTB-GISOBZBCSA-N	247.107	-0.701	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1nccn1C	2223677816	SYIDZNVLRUDVKL-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
C[C@@H](O)CCNS(=O)(=O)N1CC(Cl)C1	2241354591	YWLKGIPJPKIEHK-ZCFIWIBFSA-N	242.728	-0.485	50	10	BBGE	
CO[C@@H](CO)CNC(=O)[C@@H](C)CCl	2242436332	NDZSOMQACLVORE-NKWVEPMBSA-N	209.673	-0.015	50	10	BBGE	
COc1ccc(B(O)O)c(OCC2CC2)n1	2243086379	OKQYRMLJIMSRKC-UHFFFAOYSA-N	223.037	-0.441	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CCCCO1	2243347509	MWPDZVHYWYMOMI-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
C[C@@H]1CN(C(=O)c2coc(B(O)O)c2)[C@@H]1C	2243349153	GYDWKJXBVGZEMX-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
CCC[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382566	QCNFJMNWEXHTFV-YIZRAAEISA-N	229.085	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1N[C@H]2CC[C@H]1C2	2243383582	ZKELJNYESKVDIU-KZVJFYERSA-N	224.069	-0.493	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@@H]1CF	2243406978	IYXMQIULUULLBO-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C[C@H]1C[C@@H]1C)B(O)O	2243412003	DTUSXAXEIDKEHS-IONNQARKSA-N	247.125	-0.528	50	10	BBGE	
C=C(CS(=O)(=O)Nc1cc(C)[nH]n1)B(O)O	2243412254	JDICRGHGCBLRIT-UHFFFAOYSA-N	245.069	-0.972	50	10	BBGE	
C[C@H]1CNCCN1C(=O)C1CC(B(O)O)C1	2243416875	NZQLVJBXVFQAAS-UEJVZZJDSA-N	226.085	-0.940	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427132	QWJXSFHKNQNBNW-ODHVRURNSA-N	227.069	-0.467	50	10	BBGE	
CSC1CN(C(=O)c2cc(B(O)O)co2)C1	2244213125	ZYIWLPQVGGWSKO-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C1)[C@@]2(C)O)C(=O)NN	2244310024	CFIWOJVCAIIJJG-SDNRWEOFSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NCCC#CB(O)O)C1	2244549096	YERVHBMEHGKKQR-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]1C(F)F	2244549661	GRHCMDPNPKKOGJ-BQBZGAKWSA-N	231.007	-0.591	50	10	BBGE	
NC(CO)(CO)c1cn(C[C@H]2C[C@@H]2Cl)nn1	2245491205	XJQAPNAHJUIYQQ-RQJHMYQMSA-N	246.698	-0.956	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@]2(O)C[C@H]2C1	2246743042	MJHYASQBTCFVKD-KLBPJQLPSA-N	239.319	-0.541	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)oc1C	2247735273	YGEMONDKBYRXDC-QMMMGPOBSA-N	235.048	-0.591	50	10	BBGE	
CC1(C)CCN(C(=O)c2ccoc2B(O)O)C1	2247741350	YIBNTKDAAIJFMV-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccoc1B(O)O	2247747198	KJBZXSJVHFOJGK-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CCO1	2247751508	YMBONHOKRKGAHS-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1C[C@H]2[C@@H](O)C[C@H]2C1)C1(B(O)O)CCC1	2247754338	FRJIXSCZKHYFIB-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755921	LPVUNUIPFJIGCQ-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1F	2247756412	HAWCTNONCFQXTQ-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
O=C(N1C[C@@H]2CCNC[C@@H]2C1)C1(B(O)O)CC1	2247760970	AVKCYCFBCWDZLS-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]1	2247798390	SXLKNAJMNWKNQO-ZKCHVHJHSA-N	237.068	-0.413	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)C1(C)CC1	2247805347	BMNVIMXBICCWHM-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
CN1CC[C@](C)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247807073	HDOGTWGMPGUESB-WCABBAIRSA-N	240.112	-0.693	50	10	BBGE	
COC[C@@H]1C=CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808639	VSHNRDINHCOPNM-LPEHRKFASA-N	239.080	-0.347	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@]1(C)CCOC1	2247854518	DOCVCNIQPFQSJX-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
C=CC=CCCNC(=O)c1coc(B(O)O)c1	2247855151	NYYSXZKPVNEJBP-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
O=C(N(CCO)CC1CC1)C1(B(O)O)CCC1	2247877598	BYPZBFUWWMKZLD-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
CCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247897369	RLAYSEJRDGULDA-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CN(C)CC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247900529	XPHWVYGQJPEDFC-IUCAKERBSA-N	240.112	-0.693	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC2(COC2)C1	2247911314	VFDZLNJEAVABSK-DTORHVGOSA-N	239.080	-0.512	50	10	BBGE	
CN(CCC(F)F)C(=O)c1cocc1B(O)O	2249406538	FETYJDSYNREIGY-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1cocc1B(O)O	2249427730	KLMYJGAGGJHBOZ-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1cocc1B(O)O	2249431542	VKCKAKISHMNNBS-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N=c1cc[nH][nH]1	2255509746	OUGNGEMRTALIDI-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ncccc1B(O)O	2255517079	SWFGEFKOSXBQIW-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1C[C@H]2CCCC[C@H]21	2255551378	WVKLDJSRDXALIJ-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2cccn2)C1)[C@@H]1C[C@H]1B(O)O	2255582686	IEEVWEXXRFUGMO-UTINFBMNSA-N	249.079	-0.434	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)Oc1ccccc1	2255672440	HIZGVTCGRHAHKM-SNVBAGLBSA-N	247.059	-0.415	50	10	BBGE	
Cc1cc(F)ccc1CCNC(=O)C#CB(O)O	2255681901	YZRNDZPDKVGLKH-UHFFFAOYSA-N	249.050	-0.192	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)cc1F	2255685870	IKNJWNYENIOPJX-VIFPVBQESA-N	249.050	-0.046	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]1C1CC1	2255718692	DLENRAWATOGXCV-JTQLQIEISA-N	249.075	-0.108	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ncc(B(O)O)cn1	2255773691	DNRMAZCBVXIAII-CBAPKCEASA-N	249.079	-0.973	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)ccc2O)[C@H]1C	2256013821	IQDNVHZRVPZNED-BQBZGAKWSA-N	249.075	-0.544	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1cc(B(O)O)co1	2258123621	QYFYGBWSXNIRKM-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1cc(B(O)O)co1	2258126716	GFBOYWGWMBCFBW-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC[C@@H]2C[C@@H]21	2261405919	LEXLHJIYDNFJGF-KOLCDFICSA-N	247.107	-0.733	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369304	QCALSOZGIFJLCJ-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
CCC[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369355	ROALFOVKASTVRV-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CNC2(CCC2)C1)[C@@H]1C[C@H]1B(O)O	2298371793	WDGODVGBXZBBQH-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2CO1)C1(B(O)O)CC1	2298374911	FXTCRLKFVZANGW-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
O=C(O)C[C@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298462700	BAQORLKFNHGXBM-XUTVFYLZSA-N	241.052	-0.781	50	10	BBGE	
CN(C)CCN(C)CCC[C@@H]1C[C@@H]1C(=O)NN	2300397519	SKIRDLHFOSPKFC-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	2301127070	ZTXKINLNXXSIAK-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](N)CCOc1ccc(C=O)c(B(O)O)c1	2301452352	GOPBUMMYPBEDFQ-QMMMGPOBSA-N	237.064	-0.705	50	10	BBGE	
CCNCCOc1ccc(C=O)c(B(O)O)c1	2301453603	ZCERPBBDYXCXMY-UHFFFAOYSA-N	237.064	-0.833	50	10	BBGE	
C#C[C@@H](Nc1cc(B(O)O)c(F)cn1)C(C)C	2303835464	XJADESKDRWWFAD-SNVBAGLBSA-N	236.055	-0.030	50	10	BBGE	
COC[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303850897	XNQAVBUQEUDJIC-RCOVLWMOSA-N	240.043	-0.653	50	10	BBGE	
CC1(C)[C@H](N)CCN1c1cc(B(O)O)ccn1	2307327779	FNYGAAYPHAWHHR-SECBINFHSA-N	235.096	-0.923	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2312857141	UGYYHAFUSLZBEU-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
OC[C@]12C[C@H](CCN1c1cc(B(O)O)ccn1)C2	2315154949	RMMYYTRJMRELEA-WVSHTKLVSA-N	248.091	-0.887	50	10	BBGE	
N#CCN(CC#N)c1ccc(B(O)O)cc1C#N	2317152988	IBXDHZIPVWKXKD-UHFFFAOYSA-N	240.031	-0.908	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccc(OC)cc1B(O)O	2319324105	TXQAEPPTKSGGBB-SECBINFHSA-N	247.059	-0.110	50	10	BBGE	
CNC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	12175267	JTBXLVXELHDHPH-WHFBIAKZSA-N	242.753	-0.515	50	10	BBGE	
NNC(=O)COCC(=O)Nc1ccc(O)cc1	58855013	MNPUJOVKPZDTCG-UHFFFAOYSA-N	239.231	-0.663	50	10	BBGE	
NNC(=O)CCOCC1CCOCC1	82465371	XSSPYAXLDNMAQY-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
NNC(=O)CCn1nnc(-c2ccco2)n1	82471598	HQQGFWMXXAIOHP-UHFFFAOYSA-N	222.208	-0.687	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CC#N)CC#N	84689264	KIGMKSNPDRMMDF-QMMMGPOBSA-N	209.253	-0.650	50	10	BBGE	
CC1CC(=O)N(CCCC(=O)NN)C(=O)C1	86456652	FUXMYIIJWSGEBG-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
Cn1cnc(CCNC(=O)CCl)n1	87765260	ZALUUBDXULUFAB-UHFFFAOYSA-N	202.645	-0.287	50	10	BBGE	
O=C(COCC1CC1)NNC(=O)[C@@H]1CCCO1	122755667	BDMCLWDMJHLQNB-VIFPVBQESA-N	242.275	-0.261	50	10	BBGE	
Cn1ccn(Cc2cc(C(=O)NN)co2)c1=O	149372318	JCXHOIALLXRVGF-UHFFFAOYSA-N	236.231	-0.568	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)B(O)O	213604932	JIYMMGWJMWSCOO-ZJUUUORDSA-N	244.144	-0.097	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CNC(=O)C1	229239791	HFRCNCMXZQLLAJ-WHFBIAKZSA-N	233.655	-0.672	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)C[C@@H]1O	230357036	OYFJKZJYYFEXDP-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CCOC(=O)CNS(=O)(=O)CCCl	232296291	OXTIYSFDKQMKDB-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccccn1	232419217	CVQBKEFKAZQRFU-JTQLQIEISA-N	238.291	-0.482	50	10	BBGE	
CCS[C@@H]1CCC[C@H]1NC(=O)C(=O)NN	233823749	HPDFVOAAGWDQPX-RNFRBKRXSA-N	231.321	-0.233	50	10	BBGE	
C[C@@]1(O)CCN(Cc2cc(C(=O)NN)co2)C1	235460171	JCMWJYNYZSFVGN-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
C[C@H](O)C1CCN([C@H](C)CC(=O)NN)CC1	235528577	PDGIQWMTIIEWRP-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
COc1cc(B(O)O)ccc1CC(=O)O	238446036	KCTGFJOCVKYDDM-UHFFFAOYSA-N	209.994	-0.998	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCC1	238454383	SIJFRRJGXHCJSJ-UHFFFAOYSA-N	206.054	-0.330	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@H](C)CCC(=O)NN	251234616	RAXCQISRSIPTLC-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCCN1C)C(=O)NN	252571906	BZKDQTJYGRPZPC-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2[nH]c(=O)[nH]c2c1	258957946	GFFWVDFWEYEHMJ-LURJTMIESA-N	235.247	-0.764	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCCO1	299998529	RGXZAAUSQYIZFI-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)NC(=O)CSCCC(=O)NN	300814943	HUZKYOSRORYQQA-UHFFFAOYSA-N	219.310	-0.376	50	10	BBGE	
Cc1cc(B(O)O)c(Br)cn1	306582649	CPMFFPFFLPHPKJ-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
O=C(CBr)N[C@@]1(CO)CCOC1	306851300	QJSSPIAZBNSDNU-SSDOTTSWSA-N	238.081	-0.351	50	10	BBGE	
OB(O)c1ccccc1[C@@H]1CNCCO1	308802679	MQJPSXDTQKOWRN-JTQLQIEISA-N	207.038	-0.973	50	10	BBGE	
CC(C)(Cn1cc(C#N)ccc1=O)C(=O)NN	310078314	HMIRDFIHDBZYEP-UHFFFAOYSA-N	234.259	-0.264	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](O)CC1	378798164	RUCQUKIMGHGPBY-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](CO)N(C)[C@@H](C)[C@H](C)C(=O)NN	379011570	MXMPAXDGRCDRKJ-XHNCKOQMSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)C1(C)C)C(=O)NN	381034810	AEGKHKFUYRVKIL-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CC(=O)N(Cc2nc(C(=O)NN)co2)C1	386838841	TXBAKVCMUKPJHJ-ZCFIWIBFSA-N	238.247	-0.354	50	10	BBGE	
NNC(=O)c1coc(CN2CCC(N)CC2)n1	387011991	QYWJQCDZTFKJLQ-UHFFFAOYSA-N	239.279	-0.799	50	10	BBGE	
NNC(=O)CN1C[C@H]2C[C@@H](O)CC[C@H]2C1	398737577	FCQNSEUGFKITPF-YIZRAAEISA-N	213.281	-0.931	50	10	BBGE	
CN(CC[S@@](C)=O)C[C@@H](O)CCl	398849492	QDFFREMOYNGSNN-JVXZTZIISA-N	213.730	-0.104	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC[S@](C)=O	399917913	OVELFUJCJPPGHP-AYVTZFPOSA-N	235.353	-0.689	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N([C@@H](C)C(=O)NN)C1	687213986	XFTUAXDRKZFNFR-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
CN1CCN(c2nnnn2C)C[C@@H]1CCl	687606314	XGZDVNBKVLWQPU-ZETCQYMHSA-N	230.703	-0.431	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)CC1(F)F	689216634	XMLUVSAEBZXFHC-LURJTMIESA-N	207.180	-0.862	50	10	BBGE	
CCOC(=O)[C@@H](O)CN1CCC(O)(C#N)CC1	692178853	QWDICVYNRCTUJU-VIFPVBQESA-N	242.275	-0.739	50	10	BBGE	
CCn1cc(CN(C)C[C@@H](C)C(=O)NN)cn1	693745285	KZSLSZWSSLDZEO-SECBINFHSA-N	239.323	-0.039	50	10	BBGE	
N#Cc1ccccc1Cn1cc(B(O)O)cn1	694502353	VPXLOVSLLNPOKN-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	694828914	JJLBCFPXBMSQMQ-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(n2cccn2)C1	707400030	RBVDQWLHFPUUNH-SNVBAGLBSA-N	237.307	-0.246	50	10	BBGE	
C[C@@]1(C(F)(F)F)CN(CC(=O)NN)CCO1	712834112	PSWXQBPYXGHEJZ-ZETCQYMHSA-N	241.213	-0.371	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@@H](C3CC3)O2)n1	715475061	WZSHSQCVCDLZOM-ZJUUUORDSA-N	236.080	-0.480	50	10	BBGE	
CC1(C)CO[C@@H](CCNC(=O)C(=O)NN)C1	717264166	VNTDZLTYCDIRCO-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
OB(O)c1ccc(F)c(OCC[C@H]2CO2)c1	718545576	YAXFJHLICCYNCY-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
C[C@H](CN1CCN2CCC1CC2)C(=O)NN	722807465	ZPJXHLBDGWAWHD-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CSCCC(=O)NNC(=O)[C@@H]1COCCO1	744647705	WQHHXXCVKULPKO-ZETCQYMHSA-N	248.304	-0.698	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\[C@H]1CCCO1	819154266	GPQSMROMNVKQTC-IQXGSHKSSA-N	213.237	-0.318	50	10	BBGE	
CC[C@@H](CO)C(=O)NNc1nnc(C)n1C	856046421	JNLUAVYQZGCUFA-ZETCQYMHSA-N	227.268	-0.415	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNc1nnc(C)n1C	875718247	AMJVHKWRQQMWTD-ZCFIWIBFSA-N	222.252	-0.229	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	902551353	DKDKMQMUTYDLQE-DJLDLDEBSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cn[nH]c1)n1cccn1	1530258928	AKLWYUCTYDBSAB-SSDOTTSWSA-N	248.246	-0.372	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)ncn1	1539050341	CXWGVYLFCGFULO-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccncc1	1587046060	AKNAEFCKLZNQHY-LLVKDONJSA-N	235.243	-0.220	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1	1622865791	YDBQFAWSGPETPB-QMMMGPOBSA-N	219.049	-0.329	50	10	BBGE	
CN1CCN(C(=O)F)C[C@H]1C(N)=S	1882786584	BLMCNVBPKZPGDF-YFKPBYRVSA-N	205.258	-0.022	50	10	BBGE	
C[C@@H](COCCOC1CC1)C(=O)NN	1888720718	FQBKUGNBXGUHPP-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
CN1CCN(C[C@H]2C[C@@H]2Cl)C(=O)C1=O	1893097189	AJNHNRAOVZZVSV-RQJHMYQMSA-N	216.668	-0.086	50	10	BBGE	
C[C@@H]1C(=O)NCC(=O)N1C[C@H]1C[C@@H]1Cl	1893100615	WGVXNYTWVZBLSC-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C(=O)N1C	1893851530	MYPIFRXETOFTHQ-BQBZGAKWSA-N	214.269	-0.489	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OC[C@@H]2C[C@H]2C(=O)NN)C1	1896135119	PKNHZBMOFUCBGU-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=S)CCCCO1	1896735629	RMNRFTNFYBIDCU-MRVPVSSYSA-N	217.294	-0.190	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NC(=O)/C=C/C(=O)Cl	1897225615	BXBOVCYPIWELRL-ATXJSMISSA-N	246.694	-0.247	50	10	BBGE	
C[C@@H](CN)SC[C@]12C[C@](C(=O)NN)(CO1)C2	1897833435	RWTRDDWREUWKSS-HGNGGELXSA-N	245.348	-0.394	50	10	BBGE	
CN1CC[C@H]1COCCC(F)(F)C(=O)NN	1899509378	LFJHNOKKAQQWLM-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H](N)C1CC1	1901377244	LRJLCHAUCNMDED-MRVPVSSYSA-N	249.336	-0.575	50	10	BBGE	
CCc1nnc(CN2CC[C@@H](B(O)O)C2)o1	1902505670	KPQFYHLTGVDBJZ-SSDOTTSWSA-N	225.057	-0.319	50	10	BBGE	
CN1CCC[C@H](CN2CC[C@@H](B(O)O)C2)C1	1902528156	FHLWKWLFIBBUGN-WDEREUQCSA-N	226.129	-0.123	50	10	BBGE	
C[C@@H]1CN(Cc2nc(B(O)O)cs2)CCO1	1902639673	UGLNDZYEQSPDEU-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
N#CCCN(CCC#N)C[C@@H]1C[C@H]1C(=O)NN	1906939572	WRCNVBNWTATNPH-VHSXEESVSA-N	235.291	-0.258	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1	1907072475	KVOQNIJPQPRQTH-NQMVMOMDSA-N	234.064	-0.276	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)[C@@H]1C[C@H]1F	1907455069	CKTJISUFBDAVDT-HTRCEHHLSA-N	241.002	-0.198	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	1913610040	LOEIAGHTSUDKET-SFYZADRCSA-N	234.064	-0.254	50	10	BBGE	
CC[S@@](C)(=O)=NCC(F)(F)C(=O)NN	1913890214	PEMAYEXBUDNADP-CQSZACIVSA-N	229.252	-0.271	50	10	BBGE	
NNC(=O)CN1C[C@H](CO)C2(CCC2)C1	1914022621	PNZFKVKKQPMDRP-MRVPVSSYSA-N	213.281	-0.929	50	10	BBGE	
CCN(CCCl)S(=O)(=O)N1CC(O)C1	1914177148	REXQCFSOPTUHTO-UHFFFAOYSA-N	242.728	-0.532	50	10	BBGE	
CN(C)C(=O)CSCC(F)(F)C(=O)NN	1927814123	XKGJSSGCZYORMX-UHFFFAOYSA-N	241.263	-0.567	50	10	BBGE	
CNC(=O)CC1CCN(C(=O)NN)CC1	1928031518	WYGQWKZXDXTZQH-UHFFFAOYSA-N	214.269	-0.582	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](NC(=O)CCl)C1	1928419542	TXFHRSGXTBHLKJ-RITPCOANSA-N	204.657	-0.005	50	10	BBGE	
CCn1cc(C(=O)NNCCO)c(C)n1	1929837870	GCPWBRNIMBEMKA-UHFFFAOYSA-N	212.253	-0.562	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(c2nn[nH]n2)CC1	1931221280	DRCAQGYHDKFITR-SCSAIBSYSA-N	215.644	-0.068	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@@H]1COCCO1	1933319833	MKGZQCRQTCFIGB-YFKPBYRVSA-N	226.179	-0.999	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H]1COC[C@H]1O	1933389373	MYEZIBXSERQPTQ-BWZBUEFSSA-N	221.684	-0.015	50	10	BBGE	
COCC(COC)OC[C@H]1C[C@H]1C(=O)NN	1936093181	BLDYUOOSWYKKQK-VXNVDRBHSA-N	232.280	-0.710	50	10	BBGE	
Cn1c(O)nnc1SC[C@H]1C[C@H]1C(=O)NN	1936093566	FTRRMSZSKFGSSD-RFZPGFLSSA-N	243.292	-0.761	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1936093602	FZBKQRQLHYDFJY-JLIMGVALSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1936095173	UPTVJCNSEORBNH-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
CO[C@H]1COC[C@@H]1N1CCC(O)(C#N)CC1	1937393156	JSMMZEHMEXHVNR-UWVGGRQHSA-N	226.276	-0.249	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	1939031366	IOTPEGWVSPBHTP-DOLQZWNJSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)CCCCOCCO[C@@H]1CCOC1	1940246294	PVRRKIIHZMSIEH-SNVBAGLBSA-N	246.307	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(N2CCCC2)C1	1941088114	OWEQARJBYJXNFA-ONGXEEELSA-N	238.335	-0.608	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)CCN1C	1941783890	FWGRPJZAHNLTSO-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	1942891875	FGEUZJFBHSGTPI-VWYCJHECSA-N	241.335	-0.031	50	10	BBGE	
O=C(c1ncccn1)N1CC[C@@H](B(O)O)C1	1951320394	JUFINODJEDUXTC-SSDOTTSWSA-N	221.025	-0.835	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccc([N+](=O)[O-])cn1	1952977312	XCBOCLGLSOFDDL-JGVFFNPUSA-N	208.177	-0.126	50	10	BBGE	
O=C(CCl)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21	1954213322	GTDRHOVPEOENJL-CNYLLVADSA-N	223.681	-0.616	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@@H]1CO	1960270199	UVAWTVDXNIKQTI-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)NCc1nccn1CC(F)F	1961173997	JUXVTFGRGDFPQQ-UHFFFAOYSA-N	219.195	-0.179	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]1CN(C)C	1976931514	ISURUGIJCDLJGI-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1CCCC1	1976980159	VAOBRQRWRUNSSZ-SSDOTTSWSA-N	229.041	-0.781	50	10	BBGE	
CON(CCOCC(=O)NN)C1CCCC1	1978745557	GKYYQPJDUVIQPS-UHFFFAOYSA-N	231.296	-0.201	50	10	BBGE	
Cn1cc(Sc2ncc(B(O)O)cn2)cn1	1981454025	BZVISJWDMQSVKP-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@]1(C)COC	1982944325	LGNKHUMSPSMBME-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1[C@H](C)F	1985221102	OTLINSAUZSOIMZ-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
COC[C@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	1991326632	IXJWWEXNZCRADO-IONNQARKSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1C[C@@H](CO)CO1	1991716433	JSCXQYYVOAAETM-HIQWKFPQSA-N	247.678	-0.178	50	10	BBGE	
CC[C@@H](O[C@@H]1CN2CCC1CC2)C(=O)NN	1992113580	LVGRTWOYBIBEPT-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
C=C(CN1Cc2cnn(C)c2[C@@H]1C)B(O)O	1992145004	DTZZQNALODDMEL-QMMMGPOBSA-N	221.069	-0.135	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)C(=O)NN)c1	1993630081	JIZCYGZQRFSBHB-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
O=C(NNCCO)C1C[C@H]2COC[C@H](C1)C2	1995162382	DBEPQDRKGQNUKX-IUCAKERBSA-N	228.292	-0.338	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1ccncc1B(O)O	2004915639	BCJYLIKXVBYHAV-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
COC[C@@H](C)N(C)c1nc(C)ccc1B(O)O	2005015044	VGLHWDFRSFETDT-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1	2006093502	GEHPMYVEFBXNHZ-RBXMUDONSA-N	239.275	-0.952	50	10	BBGE	
CC1(C)[C@H](O)[C@H]2CCN(CCCC(=O)NN)[C@H]21	2008730118	IBBQLSUGJSLDBT-JMJZKYOTSA-N	241.335	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1ncn(C)n1	2008807255	ZETXDJDWOYZHQM-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
COC[C@H]1C[C@@H]1COc1cncc(B(O)O)c1	2015867878	BUGVKFMPUXFLIV-RKDXNWHRSA-N	237.064	-0.577	50	10	BBGE	
COC[C@@H](OC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)NN	2016504956	MQUPKZUWOMSWEU-ZFIOGYDESA-N	240.303	-0.090	50	10	BBGE	
O=C1OC(=O)[C@@H]2CC[C@@H]1N2C[C@H]1CCNC1=O	2019986944	FIEQKHUVTAKQAT-CSMHCCOUSA-N	238.243	-0.961	50	10	BBGE	
CN1CC[C@H](OCc2ccc(B(O)O)cc2)C1	2021068483	PVFUCDMGKGSHGT-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
CC[C@@H]1C[C@@H]1COc1ncc(B(O)O)c(C)n1	2022578010	BOMBOCIKWYUZAG-RKDXNWHRSA-N	236.080	-0.110	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1cnco1	2031811340	NLDGILQVUXLAGI-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ncncc1B(O)O	2052467960	XHUVFOKWZCJERA-ILWJIGKKSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cccnc1N1CCC2(CC1)COC2	2057430351	ZMWXUPZZDZPTGG-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
COc1ccc(B(O)O)c(Cl)c1C#N	2060094520	WCSCIWPSIBIHGE-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1OC	2060322678	YQBHKFZFBVEZJO-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2068330387	CSYLLZICZXASDI-MRQALGCZSA-N	248.066	-0.255	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CC[C@H]2C[C@@H]1C2	2069295902	PPSCUUCYYUFKJF-NGZCFLSTSA-N	247.107	-0.219	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3COC[C@H]32)c1B(O)O	2077840700	CVDUEHKKNFAVMG-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
CC(C)COCC(=O)N1CC[C@@H](B(O)O)C1	2208732398	SVMPZXGPJWMJRI-SECBINFHSA-N	229.085	-0.266	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2209399873	HOIRAEIYWIMSCB-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
NNC(=O)NCCCS(=O)(=O)C(F)F	2209917429	IFMVTSNIAJQZSR-UHFFFAOYSA-N	231.224	-0.813	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)C[C@@H](F)C1	2210691575	IKPZDTYEOAEYAM-PHDIDXHHSA-N	241.213	-0.984	50	10	BBGE	
CC1(C)[C@H](O)CN1CC1(C(=O)NN)CCC1	2212267282	VFWNCOUHCSNDOL-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2212604728	RUNUXCOHKGXQJF-HTQZYQBOSA-N	224.069	-0.403	50	10	BBGE	
C#CCN(c1ncccc1B(O)O)C(C)C	2212610149	DAIPFZCAXXZSEF-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1(CN)CCC1	2217173965	VPJJZKHXMGSUNB-UHFFFAOYSA-N	235.096	-0.921	50	10	BBGE	
Cc1ncc(CNc2cc(B(O)O)ccn2)[nH]1	2217178240	SWHZYHBNSXDAIZ-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
CN1CC[C@@H](COc2cc(B(O)O)ccn2)C1	2217185768	BDQMGNHEVXRMLY-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
N[C@H](COc1cc(B(O)O)ccn1)C1CCC1	2217186660	NARLMHDNWJQPDU-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
NNC(=O)C(=O)N1[C@H](CO)C[C@H]2CCCC[C@H]21	2217332108	PKQAADVGBKZXAQ-HRDYMLBCSA-N	241.291	-0.872	50	10	BBGE	
Cc1nc(COc2cccc(B(O)O)c2)nn1C	2220975288	LHVBOYZEGMRNOU-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3NCC[C@@H]32)c1	2223642050	YHIOVXBTGOCUKJ-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2223670600	AICUYJNXMFGFIP-JMJZKYOTSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCO[C@@H]2C2CC2)nc1	2223674514	QFJOLFPSWOHLNV-CMPLNLGQSA-N	248.091	-0.259	50	10	BBGE	
NC[C@@H]1CO[C@H]2CN(C(=O)F)C[C@H]2O1	2241301058	RGUPSPMZEYXDNA-DSYKOEDSSA-N	204.201	-0.497	50	10	BBGE	
OC[C@@H]1CN(CCCCl)C[C@@H](O)[C@H]1O	2242199183	NSUWSXVANFUFFK-YIZRAAEISA-N	223.700	-0.739	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1csc(B(O)O)c1	2243356537	JCUYOEHFNFKZSI-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccc(B(O)O)s1	2243356742	MIXPLNHNPUWSQU-RXMQYKEDSA-N	247.031	-0.435	50	10	BBGE	
Cn1nccc1CNC(=O)C1(B(O)O)CC1	2243363309	DVFQPYHQJIBYGD-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
O=C(N1[C@H]2COC[C@H]1C2)C1(B(O)O)CCC1	2243363777	MGHYHABGPDZKPY-HTQZYQBOSA-N	225.053	-0.617	50	10	BBGE	
C[C@]1(CO)CCN1C(=O)C1CC(B(O)O)C1	2243392038	QNHHUCHGQJAZSU-SFVIPPHHSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1CN(C(=O)c2sncc2B(O)O)[C@@H]1C	2243403752	CBPBCUQUQHPALO-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCC[C@H]1C)B(O)O	2243434254	WHEOIKMATZCXGQ-SECBINFHSA-N	247.125	-0.241	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@H]1Cl	2243698380	RQIGFCJGUKVDFE-RNFRBKRXSA-N	240.455	-0.673	50	10	BBGE	
C#CCOCC(=O)N1CCC(B(O)O)CC1	2244175345	BEXUCFSYSZRSRZ-UHFFFAOYSA-N	225.053	-0.898	50	10	BBGE	
CN(C)CCC(=O)N1CCC(B(O)O)CC1	2244191063	FUCRKBSFHIGZRT-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
C=CCN(OC)c1ncc(B(O)O)c(C)n1	2244267556	UEMDYPZPMGBMQC-UHFFFAOYSA-N	223.041	-0.981	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC(F)(F)C1	2247751241	VDFGVGDHDJYGRR-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CN1C	2247756195	MRKGYOUTQOVFQE-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NN1CCC1	2247760761	MZQYNUSEUOEXET-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
O=C(NCC1(CO)CCC1)[C@H]1C[C@@H](B(O)O)C1	2247786871	HVLRICOOEMHGEB-DTORHVGOSA-N	241.096	-0.482	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787114	LANGQYLIASFUKG-JXUBOQSCSA-N	240.112	-0.375	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)oc1B(O)O	2247790367	CQXCEBBJAJXTKJ-OCAPTIKFSA-N	235.048	-0.640	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@H](C1)C2(F)F	2247792997	VZEAKQXKILQCFJ-NGJRWZKOSA-N	245.034	-0.037	50	10	BBGE	
CN1CC[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247796628	BHTALAOXXSFYOO-XNWIYYODSA-N	240.112	-0.693	50	10	BBGE	
CN(Cc1nc[nH]n1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247799528	DZOPGPVAHRLKPI-LJGSYFOKSA-N	238.056	-0.984	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)CC12CC2	2247804383	GWSJHOMPQVLLQK-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
CN1CC[C@](C)(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807005	GWHDIEPFSXSLRW-QXEWZRGKSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@]12CCOC[C@H]1C2)C1CC(B(O)O)C1	2247859692	OELWELBOXXPYDN-FOLWWEGKSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccncc1B(O)O	2247873622	KPJLFNLRXJMPDN-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
C#CCCNC(=O)c1c(F)cccc1B(O)O	2247874048	IQVZNYSSGNGUBO-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CC(C)NCCCNC(=O)C1(B(O)O)CCC1	2247878775	NCAMUODWUIFTHS-UHFFFAOYSA-N	242.128	-0.112	50	10	BBGE	
CCC1(C)CN(C(=O)c2occc2B(O)O)C1	2247879379	UETAGJMVQCWUJI-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1N	2247904898	RJIWXNFQAOCEEV-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2248585529	NDMHPDUXQVEEHP-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1cocc1B(O)O	2249420491	VJKAAZFRDXSTSZ-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)C1CC(B(O)O)C1	2249620342	CPBRKKIUFNEFIB-SLJGFSCLSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(F)(F)C[C@H]1CO	2250180314	XAKMPXIBUBHQLM-LYFYHCNISA-N	249.022	-0.922	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1cncc(B(O)O)c1	2255517918	GIGLYJXONJWAFO-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255518809	PAARVVDAMCMTGK-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
CC1(C)COCN1C(=O)c1ccccc1B(O)O	2255526322	RVUAFKSOQYGISX-UHFFFAOYSA-N	249.075	-0.425	50	10	BBGE	
CC#CCCNC(=O)c1cccc(F)c1B(O)O	2255686825	XLJVNJVGJIWELL-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CCC[C@H]21	2255690868	IQSFPBKCLFQUJI-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2CC[C@H]2C1	2255721131	YXCDGOUPZDQHDV-IUCAKERBSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cncc(B(O)O)c1	2255736073	GIAOLISQPHCVKB-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
Cc1nnccc1CN(C)CC1(C(=O)NN)CC1	2261223124	DCZHJLPLLCSXSX-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](C1=O)C2(F)F	2298376799	PEEDJWNELPTAEQ-AZGQCCRYSA-N	244.990	-0.901	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300370802	NHKOXMPWOVYUJL-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CCNC(=O)Nc1cc(F)c(F)cc1B(O)O	2306857574	XTKHGFUXEBLNCI-UHFFFAOYSA-N	244.006	-0.214	50	10	BBGE	
C=CCNCCOc1ccc(B(O)O)cc1C#N	2317150556	GTVDWXQNFUWZIF-UHFFFAOYSA-N	246.075	-0.608	50	10	BBGE	
C=C1C[C@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	2319322855	IHTBYMONEDNOGC-GFCCVEGCSA-N	243.071	-0.215	50	10	BBGE	
N#C[C@H]1CN(CC2(C(=O)NN)CC2)[C@H]2CCN1C2	2319957292	FSBUUAKRKUFNJC-UWVGGRQHSA-N	249.318	-0.961	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H](CO)C1	82465830	WFCIPFBFTYUDQJ-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
Cc1nnc(S[C@@H](C)C(=O)NN)n1C	82472779	HOKODZPDSFLFJC-BYPYZUCNSA-N	215.282	-0.406	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@H](C)CCl	86550283	REMFGXBYGVALQJ-RXMQYKEDSA-N	228.701	-0.168	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(OCCO)CC1	126170001	GRBGAOKNPNTQLP-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C[S@](C)=O)NC(=O)NC(=O)CCl	135304684	HUELWRRZAVVSSN-FPHPLZIGSA-N	240.712	-0.182	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1CO	135326608	WIUVQLDQFSKRPZ-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
O=C(CCl)NC(=O)NN1CCOCC1	149612329	UTHXKTCWXQJJNV-UHFFFAOYSA-N	221.644	-0.702	50	10	BBGE	
NC(=O)CC1(NC(=O)CCCCl)COC1	170273294	WCSYKVYKQGXMOW-UHFFFAOYSA-N	234.683	-0.234	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(CC(N)=O)COC1	170277999	CVFRBIKQVOYENU-RXMQYKEDSA-N	220.656	-0.626	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCCNC	212115791	XQKRUTZFRUXLDX-VIFPVBQESA-N	216.329	-0.314	50	10	BBGE	
CC(C)(CCl)C(=O)NCCOCC(N)=O	230042785	NYLDUTMNYUZRQJ-UHFFFAOYSA-N	236.699	-0.131	50	10	BBGE	
COC[C@@H](OCCOC(C)(C)C)C(=O)NN	232418651	LZEPQFPXTJXNBP-MRVPVSSYSA-N	234.296	-0.177	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)c(C)n1	238261312	NOHKCGCADBDRDK-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
COc1ccc(C2(N)CC2)cc1B(O)O	238354424	QCNMXOPXHVPCGJ-UHFFFAOYSA-N	207.038	-0.677	50	10	BBGE	
NNC(=O)c1nc(Cl)c(S)nc1N	238563315	OFDFDGWNXYZRML-UHFFFAOYSA-N	219.657	-0.396	50	10	BBGE	
CCN1CCN(C(=O)CNC(=O)CCl)CC1	258961064	MNIRISTWQQCDES-UHFFFAOYSA-N	247.726	-0.495	50	10	BBGE	
CN(C)CCNC(=O)CN(C)C(=O)CCl	259095249	ZKCIONBZCVRYGP-UHFFFAOYSA-N	235.715	-0.639	50	10	BBGE	
NNC(=O)c1ncncc1Br	306219924	NORJWHZDKMYMKW-UHFFFAOYSA-N	217.026	-0.157	50	10	BBGE	
Nc1nc(CCl)nc(NCCCO)n1	308511643	SGYRVGORHHZJJL-UHFFFAOYSA-N	217.660	-0.013	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)CC(C)C	309121113	NUGXIPMQGQMMSV-SSDOTTSWSA-N	201.270	-0.083	50	10	BBGE	
Cc1cn(-c2cc(F)c(B(O)O)cn2)cn1	309518243	WNXRMMRVHBTJIW-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
CC(=O)NNC(=O)CN[C@]1(C)CCO[C@@H]1C	309738615	CWMHKDWDLAIIKR-GMSGAONNSA-N	229.280	-0.689	50	10	BBGE	
COC(=O)NN=C/C(C#N)=C(\O)NC=O	379702781	VZJDGNBBULCAFU-BGGOHCMNSA-N	212.165	-0.633	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CC(=O)NC)C1	382247942	KKZLQSJKPPSUAF-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
COC(=O)[C@@H](CO)NCCBr	395097019	XJDWDIPRKURZFX-RXMQYKEDSA-N	226.070	-0.495	50	10	BBGE	
O=C(O)c1nc2c(B(O)O)cccc2o1	396123871	XGRHIEUUTMOJJT-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1CC(=O)O	396136598	ZIGZXDORIADFQW-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1	398737569	FCQNSEUGFKITPF-CIUDSAMLSA-N	213.281	-0.931	50	10	BBGE	
C[C@@H](CN1CCC(C)(CO)CC1)C(=O)NN	402805379	ROUHDAFCXKUVBF-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
CCCC(=O)NCc1cc(B(O)O)ccc1F	404975596	BEIIFNOVZHOXOG-UHFFFAOYSA-N	239.055	-0.078	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	405010838	WOELFYHKSWEOSJ-NKWVEPMBSA-N	220.037	-0.644	50	10	BBGE	
C[C@@H](NC(N)=O)c1cccc(B(O)O)c1	405053756	ABNKHUTZGJIPDW-ZCFIWIBFSA-N	208.026	-0.904	50	10	BBGE	
N#CC1(O)CCN(c2ccc3nnnn3n2)CC1	692158677	WKHXWAKVAHLUKA-UHFFFAOYSA-N	245.246	-0.626	50	10	BBGE	
CCN(CCCCC(=O)NN)C[C@@H](C)O	692168741	IWDONCAUCMSEGC-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@H](C(=O)O)C1	693042078	ZTZFHILVBBFZMZ-IZLXSQMJSA-N	201.226	-0.375	50	10	BBGE	
OB(O)c1ccn(Cc2cccc(F)c2F)n1	694272487	ULWPHBHFLWYZRX-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
CCO[C@@H]1CN(C(=O)NN(C)C)C[C@H]1C(=O)O	702050410	NTNCLEBPFPVRGA-HTQZYQBOSA-N	245.279	-0.406	50	10	BBGE	
CO[C@@](C)(CCl)CN=c1nn[nH]n1C	702533475	YFSQEIQWHWQNTN-ZETCQYMHSA-N	219.676	-0.312	50	10	BBGE	
CC1CN(Cc2ccc(F)c(B(O)O)c2)C1	705076314	ITSKHLFFUPPSLQ-UHFFFAOYSA-N	223.056	-0.043	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC2(CCC2)O1	711458419	ZVEQDBAOKZSFGO-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
CN(C)C[C@H](CCl)NS(=O)(=O)N(C)C	716777773	HPNZRVNSAAOLHZ-ZETCQYMHSA-N	243.760	-0.449	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)CCCl	719722761	VMWLFHZDQMHWLM-UHFFFAOYSA-N	228.701	-0.638	50	10	BBGE	
CCC(COC)=NNC(=O)[C@H]1COCCO1	745211262	BCKQOVUSEXVZNP-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
O=C(NN=C1CCC(O)CC1)[C@@H]1COCCO1	761809212	FVUKGONFEPLXQF-AXDSSHIGSA-N	242.275	-0.191	50	10	BBGE	
CS(=O)(=O)[C@H]1CCCC1=NNC(=O)CO	776780322	FSULHRMGIAOEBQ-ZETCQYMHSA-N	234.277	-0.952	50	10	BBGE	
CCN1CC(CN(C)[C@H](C(=O)NN)C(C)C)C1	822037909	XBIVTBGNQLYJPJ-NSHDSACASA-N	242.367	-0.116	50	10	BBGE	
CN(NC(=O)c1ccc(CO)cc1)C(N)=O	1137625564	NPBYBAJBWMTBKM-UHFFFAOYSA-N	223.232	-0.166	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1cc[nH]n1	1147072776	NGRCWMSVAJFZAD-UHFFFAOYSA-N	234.219	-0.933	50	10	BBGE	
CN1C(=O)CCC[C@@H]1C(=O)NNc1nc[nH]n1	1161432006	UKBCBUAKEWPBRL-ZCFIWIBFSA-N	238.251	-0.741	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)C1=COCCO1	1166383366	BIFSOZKBGNEDPU-UHFFFAOYSA-N	238.203	-0.941	50	10	BBGE	
CON=CC(=O)NNC(=O)NCC(F)(F)F	1297094601	HIRKPNIFKGBLHP-UHFFFAOYSA-N	242.157	-0.489	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1306211486	IZDNXNVTAAGOHZ-RQJHMYQMSA-N	243.263	-0.335	50	10	BBGE	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ncon1	1472178765	FKFKAVQGZVSMMQ-WDSKDSINSA-N	242.235	-0.762	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CC[C@H](CO)C1	1641837712	IKUHHJZMKLMVKV-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
N#CCNC(=O)CNC[C@H]1C[C@H]1Br	1877357282	CLSYUKHZJRRAKW-RNFRBKRXSA-N	246.108	-0.001	50	10	BBGE	
O=C(CBr)N1CC[C@H](O)[C@H](O)C1	1881085073	YJLZSYQKNCCHKX-NTSWFWBYSA-N	238.081	-0.665	50	10	BBGE	
NC(=O)NNC(=O)c1cc(Br)n[nH]1	1883044197	DYVUIXYNVVQMHF-UHFFFAOYSA-N	248.040	-0.515	50	10	BBGE	
C[C@H](CN(C)C1(CO)CC1)C(=O)NN	1886374938	RDGLNOXRKKFCSP-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC[C@H](O)CCO	1893418910	GPUROFCIUSZDTF-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
CN1CC[C@H]1COCc1cscc1B(O)O	1899515018	FMPHHFXTODKELK-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
O=C1CCC[C@H](CN2CC[C@H](B(O)O)C2)N1	1902511237	FSEIZFFIDMCUQC-DTWKUNHWSA-N	226.085	-0.796	50	10	BBGE	
CCc1cn(C[C@H](C)C(=O)NN)c(=O)nc1O	1912227316	CDCCDCMYQZFOAO-LURJTMIESA-N	240.263	-0.863	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1(CO)CC1	1915531158	JCHOPAMJOKONEI-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CON1CCN([C@H](C)[C@H](C)C(=O)NN)CC1	1915710718	LWKRJSLUHGONMF-DTWKUNHWSA-N	230.312	-0.820	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)[C@H](F)C1	1927918585	VCUIRXLJAOAMMY-WCTZXXKLSA-N	219.235	-0.396	50	10	BBGE	
O=C(CCn1cnnn1)NC[C@H](Cl)CF	1930555286	IIHCUSVFRQVCAV-ZCFIWIBFSA-N	235.650	-0.244	50	10	BBGE	
CC(C)n1nccc1C(=O)NNC(N)=S	1930807955	VRZXSRZDDYETGC-UHFFFAOYSA-N	227.293	-0.058	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1932248714	MFUPYQRWTKPNDY-WYOJIJJFSA-N	209.293	-0.046	50	10	BBGE	
O=C(NCCCl)C1CS(=O)(=O)C1	1933134531	AEUHXKZFZFGKAT-UHFFFAOYSA-N	211.670	-0.614	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1COCCCO1	1933312712	HKWNOZXXJCIILY-SSDOTTSWSA-N	243.712	-0.092	50	10	BBGE	
COC[C@@H](Sc1ncc(C)[nH]1)C(=O)NN	1933433704	DXWDMZGKAJYFOV-ZCFIWIBFSA-N	230.293	-0.185	50	10	BBGE	
CCCN(CCOC)CCC(=O)NN	1933484382	RYXGOKWXIBLCTE-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CC1(C)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936082679	FVSGINZPOKDCBW-SFYZADRCSA-N	225.292	-0.129	50	10	BBGE	
CCCN(CCOCC(=O)NN)CC(F)F	1936532649	XXMVHLBYTGWDBG-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CN(CCOCCCl)C(=O)Cn1cncn1	1937141764	XNEHFPAAMUHUSB-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CCO)C2)CC1	1938247146	PJWKGECJODLNHA-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN2CCC1CC2	1941086865	KHKVXTQQJFKJDH-MWLCHTKSSA-N	238.335	-0.608	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C[C@H]1C[C@H]1C(=O)NN	1941090486	OFSUVLWQWCGKPF-CHWFTXMASA-N	238.335	-0.609	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(CCOCC(=O)NN)C1	1941779812	IERRHWADPSKAJN-IUCAKERBSA-N	243.307	-0.503	50	10	BBGE	
Cc1oc(CN2CC(CO)C2)cc1C(=O)NN	1944080568	QREJXFULOPNIQH-UHFFFAOYSA-N	239.275	-0.384	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@@H]2CN)CC1	1951191321	HKITTZMAMMWRTE-ZJUUUORDSA-N	237.303	-0.152	50	10	BBGE	
O=C([C@@H]1CCCO1)N1CCC(B(O)O)CC1	1951320145	DVCJLHORJOQAAW-VIFPVBQESA-N	227.069	-0.369	50	10	BBGE	
CO[C@@]1(CN2CC[C@H](B(O)O)C2)CCOC1	1951322247	ZFHHRLIIULIOAN-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
CO[C@H](CCSC)[C@@H](N)[C@@H](O)C#N	1952792398	GZSUMXOSIXLGPO-RNJXMRFFSA-N	204.295	-0.034	50	10	BBGE	
COc1cc([C@H](N)[C@@H](O)C#N)c(OC)nn1	1953030355	BRVBPENFSAGJLD-XPUUQOCRSA-N	224.220	-0.622	50	10	BBGE	
C[S@](=O)C1CN(C[C@H](Cl)C(=O)O)C1	1954057079	NAEDIJILEOATMV-IYQDAUBNSA-N	225.697	-0.259	50	10	BBGE	
OB(O)c1csc(OC2CC=CC2)n1	1956968664	KOHBIIMWAGJNBC-UHFFFAOYSA-N	211.051	-0.080	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@@H]2C1=O	1961365230	SLXHIGAVCZRZBG-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC[C@@H]1CCO	1961684290	OCJRVTZKIKMPOC-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](CCl)C(=O)NCCc1nnnn1C	1974681596	PGWAJTOKCUGYIS-ZCFIWIBFSA-N	231.687	-0.256	50	10	BBGE	
O=C1NC[C@]2(CCCN(C(=O)CCl)C2)N1	1974907762	HXJMZCASYDPHTB-VIFPVBQESA-N	231.683	-0.101	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CC(F)(F)C(=O)NN	1979617299	YULSCZIEFBWRRY-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
COC1(CN(C)CCOCC(=O)NN)CC1	1979960292	HUPXNDAFQONQGG-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
OB(O)c1cnc(OCC(F)(F)F)c(F)c1	1981420295	IZEMQLFLXASQBH-UHFFFAOYSA-N	238.933	-0.158	50	10	BBGE	
CCC1CN(c2nc(C)ccc2B(O)O)C1	1981445270	FWSCLTKMWVQRRT-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
COC[C@@H]1CC[C@@H](CN(C)CC(=O)NN)C1	1985397003	MYWHONJJEXSYFI-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12CC[C@@H](CO1)C2	1989934837	FCIOFBCNVPFDOU-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](Cn2cccn2)O1	1990164891	SQBUOGIKPFXWHC-RKDXNWHRSA-N	224.264	-0.189	50	10	BBGE	
O=C(NCC1CC1)N[C@H]1CCC=C1B(O)O	1991326662	JGLFWJDOMFZXBR-VIFPVBQESA-N	224.069	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1COCC1(F)F	1991601620	GWNHATQIIRZRDA-QYNIQEEDSA-N	236.218	-0.337	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868686	RNXBPZKSIMZPDO-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@H](C1)C2O	2002479279	ZAEBDYRHOJXCJY-DHBOJHSNSA-N	249.261	-0.686	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]21	2004912201	QCNDEQPYXYUCPI-INTQDDNPSA-N	232.092	-0.004	50	10	BBGE	
CCCOCCOc1nccc(C)c1B(O)O	2004934196	COTFFDSJXHKUBM-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1ncnc(N(C)CC(C)(C)F)c1B(O)O	2004974016	DLUFLIHMOQFWLH-UHFFFAOYSA-N	241.075	-0.351	50	10	BBGE	
Cc1cnc(Sc2ncccc2B(O)O)n1C	2007857262	MXIZILFSKIVSOX-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)CC(=O)NNC(C)=O)C1	2019175332	AVKKWXGBBIENQX-NXEZZACHSA-N	243.307	-0.347	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@H]1CCOC1	2019612097	QCXLNFAJSQYHRB-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@]23CCCOC3)n1	2021314747	WOBIWPCOSYYLAX-GXSJLCMTSA-N	236.080	-0.620	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1ncncc1B(O)O	2025750172	ASCISHQCWRWGAR-GMSGAONNSA-N	239.059	-0.659	50	10	BBGE	
COC[C@H](C)COc1nc(C)ccc1B(O)O	2026074777	OYQZHAHGWMJWJM-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCc2nnccc2C1	2043020198	QNHWLANCWDLGND-DTWKUNHWSA-N	249.318	-0.151	50	10	BBGE	
CCOc1c(OC)cc(B(O)O)cc1[N+](=O)[O-]	2060017776	DWXJOTBXZFXXQF-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
C=CC1(O)CN(CC(=O)NNc2ccccn2)C1	2074465556	WPJZLHZBQFOVCW-UHFFFAOYSA-N	248.286	-0.243	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)c1ccccc1B(O)O	2079009852	KYYAEGWDMRCWAA-WDEREUQCSA-N	249.075	-0.726	50	10	BBGE	
OB(O)c1ccc(COCc2ccnnc2)cc1	2086132148	AUULALGAAWQMHB-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2CS3)c1	2212602555	GHAWJPAGFQDWCN-DTWKUNHWSA-N	236.105	-0.545	50	10	BBGE	
C[C@]1(CNc2ncc(B(O)O)cn2)C=CCC1	2217178508	WUHXPZFTEQWIRX-NSHDSACASA-N	233.080	-0.075	50	10	BBGE	
CC1(C)[C@@H](O)CCN1c1ccc(B(O)O)cn1	2217184604	QGKFRTSNGYLZRS-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
CC[C@H](COc1nccc(B(O)O)c1F)NC	2217186898	QHNHIRDZVZGZIV-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
CNC(C)(C)COc1nccc(B(O)O)c1F	2217195362	JBIQUNLCXRXGDA-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@H]3C2)cc1B(O)O	2223646543	MJZQIZTZRFTIOZ-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
NCC[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2223647054	SKLPPCNAJZNFOJ-NSHDSACASA-N	249.123	-0.531	50	10	BBGE	
Cc1cnc(N2CCNCC[C@@H]2C)cc1B(O)O	2223651404	BZFDUIMVOWPHCG-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1cnc(=NCC[C@]23CCC[C@@H]2C3)[nH]c1	2223674534	QHKDSMOPYDPTGZ-SKDRFNHKSA-N	247.107	-0.430	50	10	BBGE	
CN(Cc1nncs1)C[C@H]1C[C@H]1C(=O)NN	2243295699	SBICUGOSZVSZPO-RNFRBKRXSA-N	241.320	-0.404	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ncsc1B(O)O	2243358702	JLXPNCUMMMZURC-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2occc2B(O)O)[C@@H]1C	2243363755	LPLRRQFOESJYQJ-UQWHLADISA-N	223.037	-0.656	50	10	BBGE	
CC(C)[C@@](C)(CO)NC(=O)C1(B(O)O)CC1	2243366081	XDVGMHLUMKPAEC-SECBINFHSA-N	229.085	-0.483	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392558	UZIRMHDPQNPYLV-BGZDPUMWSA-N	227.069	-0.610	50	10	BBGE	
Cc1nscc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243396774	QPRCNXKATWPQHZ-JGVFFNPUSA-N	240.093	-0.069	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ncsc1B(O)O	2243399379	ZTFVTNPNIFKMJY-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2243408396	MLGYSUVADKAYIG-HTQZYQBOSA-N	227.069	-0.513	50	10	BBGE	
Cn1cncc1CNC(=O)C1(B(O)O)CC1	2243411207	PWJRRINNFYBMLY-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
C[C@@H]1NCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243413316	DIRQYKVZSCCBQM-KRTGUUSXSA-N	226.085	-0.894	50	10	BBGE	
C=C(CS(=O)(=O)NCCC=C(C)C)B(O)O	2243420732	YGLNDGLCZCLOEO-UHFFFAOYSA-N	247.125	-0.170	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)co1	2244546784	QMIZSTPGAOIYDX-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
CC[C@H](C)N(CC)C(=O)c1cc(B(O)O)c[nH]1	2247748031	WPZYRMCTAMKHHY-QMMMGPOBSA-N	238.096	-0.045	50	10	BBGE	
O=C(NCC[C@H]1CCOC1)[C@H]1C[C@@H](B(O)O)C1	2247787792	UXZMMSKBUMDXBZ-LPEHRKFASA-N	241.096	-0.218	50	10	BBGE	
CN(C[C@]1(F)CCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247800093	LDRCGGNCZJAVTO-OYNCUSHFSA-N	245.059	-0.564	50	10	BBGE	
COC[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247800694	ROSRACZWYJLKSE-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CCN[C@H]1CNC(=O)C1CC(B(O)O)C1	2247804507	GZXKISPCURBJQE-NFTFJBJSSA-N	240.112	-0.646	50	10	BBGE	
CC[C@]1(NC(=O)C2CC(B(O)O)C2)CCNC1	2247806218	DNEVJFVNNBCPNB-AMUVOQDHSA-N	240.112	-0.502	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247871270	YOOBFHSEDXFEKC-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]2C)c1	2247875563	YHZWKZUOEAQUDD-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1occc1B(O)O	2247878305	NDLGONOKLFHREL-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1CNC(=O)C1(B(O)O)CC1	2247879748	XKANJTAWTQLDRU-SFYZADRCSA-N	241.096	-0.483	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2247888034	VEXMPOHZHJDEPO-RDOXLMPGSA-N	235.092	-0.038	50	10	BBGE	
C=C1CN(C(=O)c2nccc(C)c2B(O)O)C1	2247892047	SMOCVTUDDFCSMF-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247908993	CYAGMYBYEUJIHY-LRPJSKTQSA-N	239.080	-0.610	50	10	BBGE	
O=C(C=Cc1cccnc1)NCC=CB(O)O	2248401559	KLKGVBJUCKCAAT-UHFFFAOYSA-N	232.048	-0.221	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(CO)cc1	2248416462	SJZOOJCQOKVSLH-UHFFFAOYSA-N	235.048	-0.523	50	10	BBGE	
C[C@H](CCN)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248438525	GNRJBPPJJUFDIK-BBBLOLIVSA-N	242.128	-0.269	50	10	BBGE	
C#CCNC(=O)[C@H](C)N1CCC(B(O)O)CC1	2249377078	BFKAWSXQGLQTDV-VIFPVBQESA-N	238.096	-0.937	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1cc(B(O)O)co1	2249411788	TXCLKHVYDZLLOA-QMMMGPOBSA-N	241.052	-0.886	50	10	BBGE	
C[C@H](C(=O)NCCC#CB(O)O)[C@@H]1CCCO1	2249999582	XGWIAIYFTFPYBN-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@]12CC2(F)F	2250005452	XZWOVPRFHYWCEJ-CBAPKCEASA-N	243.018	-0.447	50	10	BBGE	
OB(O)c1ccn(CCCc2ccncc2)n1	2250408715	KFFXFXCIJLNUMT-UHFFFAOYSA-N	231.064	-0.409	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@H]1C[C@H]1C(=O)NN	2250542267	GLBWXJDIUVMNEI-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(C)cc(B(O)O)c1	2255515385	WZMFIDSVPPXFHH-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccc(B(O)O)cn1	2255523220	RIIYYIWZOZHGMW-IUCAKERBSA-N	246.075	-0.710	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1c[nH]nc1B(O)O	2255548530	MOGVXRZITQELGP-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
CC1(CNC(=O)c2c[nH]nc2B(O)O)CC=CC1	2255555024	VCJUYWHVOGVYFX-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
O=C(NCC1(n2cccn2)CC1)[C@H]1C[C@H]1B(O)O	2255562314	UAIHSVAGVJDKIV-DTWKUNHWSA-N	249.079	-0.649	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@@H](c2ccco2)C1	2255678711	CWSBCDIVFGMQJJ-SNVBAGLBSA-N	249.031	-0.805	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2(C)COC2)c1	2255730520	NTODNYMDKMULCZ-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
NC(=O)c1cccc(C(=O)NCC=CB(O)O)c1	2256397208	HGZNPYNQDDAJMK-UHFFFAOYSA-N	248.047	-0.917	50	10	BBGE	
CC=CC(=O)N1CCc2cccc(B(O)O)c2C1	2256642006	RFFDFENHIIMKNJ-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](Nc1ncc(B(O)O)cn1)C2	2258394881	VNJDIOZOZFEXCP-QXEWZRGKSA-N	249.079	-0.864	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2298166648	ZSJJLCRRYFKTBV-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC[C@H]2C3)c1F	2298224498	JVQSBNJQJUTUBV-SFYZADRCSA-N	236.055	-0.111	50	10	BBGE	
CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298376643	GZNQSOSXLZWECG-ZYUZMQFOSA-N	241.096	-0.221	50	10	BBGE	
CNCCC[C@H](C)Oc1ccc(B(O)O)cn1	2299735892	FYANYUCMNFSYAD-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
CC[C@](C)(CN1CCO[C@H](CO)C1)C(=O)NN	2303424424	RKMVAHWJMGNDSC-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
CCONC(=O)Nc1cccc(C)c1B(O)O	2307514527	KLSZENYUVTVNCK-UHFFFAOYSA-N	238.052	-0.252	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)CN1	2317307752	DGOBBKBLHJEGGM-KWQFWETISA-N	248.091	-0.659	50	10	BBGE	
CC1(Oc2ccc(C=O)c(B(O)O)c2)CC(N)C1	2317352481	ZZPFMXZIRQSFNG-UHFFFAOYSA-N	249.075	-0.563	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)CC(C)(C)O1	41684457	KXWWWTNINUAUIJ-ZCFIWIBFSA-N	215.253	-0.998	50	10	BBGE	
CNCCN(C)Cc1ccoc1C(=O)NN	69801857	XIROESWMAHYMDD-UHFFFAOYSA-N	226.280	-0.466	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H]1CO	82470385	SZUXBQXYBYGZSW-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
NC(=O)CN1CC[C@H](Br)C1=O	82606591	CQVNYRNGCMJLIC-BYPYZUCNSA-N	221.054	-0.533	50	10	BBGE	
C[C@H](CO)N(C)Cc1ccc(C(=O)NN)o1	125437985	GLSPXKGYJPLZCE-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
CCOc1cc(B(O)O)ccc1OCC(=O)O	196866111	UZAKYGJZKSDWDU-UHFFFAOYSA-N	240.020	-0.772	50	10	BBGE	
O=c1ncccn1Cc1ccc(F)cc1B(O)O	203171531	KNMMQKQLAJDEJH-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]2CCC[C@@H]21	223101636	HBCVSFMQQAYWKT-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCl)C(=O)N(C)C	232295169	YADLINOVESMPAF-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
C[C@H](CSc1nccnc1N)C(=O)NN	235452248	UJSKEXLZLLSQKX-RXMQYKEDSA-N	227.293	-0.223	50	10	BBGE	
O=C1N[C@H]([C@H]2CC(Cl)=NO2)C(=O)O1	238520116	HFWQQFYCIQTXMP-VVJJHMBFSA-N	204.569	-0.037	50	10	BBGE	
N#Cc1ccnc(C(F)(F)F)c1B(O)O	238612175	GTMOJESSCHRKTI-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)C[C@@H]1C	250315700	MLFQGXYAQHQDHB-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
O=C=NCc1ccccc1N1CC(=O)NC(=O)C1	258438189	XRZDZUWIXGIBQB-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1	258971535	IHJGPQPXWMZWFZ-YFKPBYRVSA-N	220.232	-0.050	50	10	BBGE	
COC(=O)[C@H]1[C@@H]2[C@@H]3O[C@@H]3[C@H]([C@@H]2O)[C@H]1Cl	306345979	PAMNUHRAKMHCDW-BLXQTUTDSA-N	218.636	-0.229	50	10	BBGE	
O=C(CBr)N1CCOC[C@H](O)C1	306849866	NVOKXQOMPZYINV-ZCFIWIBFSA-N	238.081	-0.399	50	10	BBGE	
O=C1N[C@H]2[C@H](Br)C[C@@H]1[C@H]2O	307331164	ZBBRHTADBLAAFF-SQOUGZDYSA-N	206.039	-0.371	50	10	BBGE	
CN1CC[C@H](N(C)CCC(=O)NN)C1	308559092	DBRMKSSQJNFYQU-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CC[C@H](C)N(CCO)[C@@H](C)CC(=O)NN	308838090	XCSUVDBPFIDHNS-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CO[C@@H](COc1cncc(B(O)O)c1)C(C)C	310334537	MLCVJYCAYCTBDB-NSHDSACASA-N	239.080	-0.189	50	10	BBGE	
C[C@H](CN1CCC[S@@](=O)CC1)C(=O)NN	321865995	JYPCZQQAZOBGKQ-ANRSDYALSA-N	233.337	-0.933	50	10	BBGE	
CC(C)(C)C(=O)Nc1cnc(B(O)O)c(F)c1	382635701	CAGXRMYYEGNWHB-UHFFFAOYSA-N	240.043	-0.115	50	10	BBGE	
CCNC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1	382641121	OBHBQNCFRFXCFT-UHFFFAOYSA-N	238.008	-0.976	50	10	BBGE	
CCCC1(O)CN([C@@H](C(=O)NN)C(C)C)C1	384120356	JFNIRUFOZFUZLB-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)c1ccc(CN2CC(O)C2)cc1	384137414	MNXDNWPOCZEWJQ-VIFPVBQESA-N	249.314	-0.044	50	10	BBGE	
C[C@@H](Cl)C(=O)c1c(O)cccc1B(O)O	396019671	GIUQJIBHLSSUBZ-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
N#CCc1ccc(B(O)O)c(CCC(=O)O)c1	396138279	OKLZLVAFGYSNDH-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1sc2cc(CO)ccc2c1B(O)O	396225250	QAXIBDYHOQGQDS-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC(C)(C)C(=O)Nc1ccnc(B(O)O)c1	405031090	PJXNHUSCHSIWCG-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CCN(CC1CN(C)C1)CC(C)(C)C(=O)NN	692729211	WZZRFDSVQOZQDJ-UHFFFAOYSA-N	242.367	-0.114	50	10	BBGE	
COc1cccc(Cn2cc(B(O)O)cn2)n1	694514534	KSSFFBXJWDGRIM-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CCc1noc(C)c1C(=O)NNC(N)=O	700852267	AIPLPZSEFZNTEY-UHFFFAOYSA-N	212.209	-0.141	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCN(C)C1	705216445	KAJODJLUGCMMDG-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CN([C@H](C(=O)NN)C(C)(C)C)[C@@H]1COC[C@@H]1O	708124845	RIMFGVSXYSQMDB-HRDYMLBCSA-N	245.323	-0.918	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	708298087	USEARHVBUMACFV-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)cc1OC	712346082	CTBVFHLIWGZYAX-UHFFFAOYSA-N	249.031	-0.443	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259999	PCWFMRUWPUCANN-FBDQPXRJSA-N	239.319	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([C@H](C)O)C1	719809246	ZNWWRPFHGZWPDI-CBAPKCEASA-N	215.297	-0.542	50	10	BBGE	
C[n+]1cc([C@@H]2N=C(C(=O)CCl)C=[S+]2)[nH]n1	725575086	AWVOPRNELPUWHN-MRVPVSSYSA-O	244.707	-0.620	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(C)o1	775249180	GYPJDKBXHFERIN-UHFFFAOYSA-N	218.234	-0.083	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NNC(=O)N(C)C	1544265035	FIIVDOZPFJBXJX-QMMMGPOBSA-N	230.312	-0.123	50	10	BBGE	
CCN(CCO)NC(=O)c1c[nH]c(C(N)=O)c1	1639037690	NYXBLTGKMVCBIG-UHFFFAOYSA-N	240.263	-0.927	50	10	BBGE	
O=C(CCl)[C@@H]1CNCCS1(=O)=O	1881420837	DBLPQIHPRVFVJU-LURJTMIESA-N	211.670	-0.819	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)N1CCSSCC1	1884554881	IDDGQAWJJUNURW-RQJHMYQMSA-N	236.362	-0.082	50	10	BBGE	
C[C@H]1CNC[C@@H](CC(=O)NN(C)C)O1	1885224897	ZKTUHUNJDXIRQZ-JGVFFNPUSA-N	201.270	-0.654	50	10	BBGE	
CS[C@H]1C[C@@H](C(=O)NCB(O)O)C1	1886770131	WXOFXAWQGNCBAA-OLQVQODUSA-N	203.072	-0.744	50	10	BBGE	
C=C(CCl)CN1C[C@H](O)[C@@H](O)[C@@H]1CO	1900163910	AGDDGLFAISHPCI-CIUDSAMLSA-N	221.684	-0.820	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC(CO)C1	1900505080	CGROYOOGKVQMGT-NXEZZACHSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H](CC(=O)NN)n1nc2ccccn2c1=O	1905541558	JVDVTWATKSYPKB-ZETCQYMHSA-N	235.247	-0.563	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H](C)C[C@@H](C)C1=O	1907613633	VXZSAEJRFLBKBA-PRJMDXOYSA-N	241.291	-0.214	50	10	BBGE	
C[C@H](Cn1cc(C#N)ccc1=O)C(=O)NN	1912215465	NGZREMNEPHRGQG-SSDOTTSWSA-N	220.232	-0.654	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1914262127	LPLCSRWGJQAZLL-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
COCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1916281672	QAUULYHHWFOXLT-RKDXNWHRSA-N	213.281	-0.809	50	10	BBGE	
CCN(Cc1ccccc1B(O)O)OC	1928677522	AVBFXLJBYOHPLG-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@H](F)C1	1928691841	HOPYUGFMOWHHNC-PRJMDXOYSA-N	219.260	-0.576	50	10	BBGE	
COC[C@H](OC1CC(C)C1)C(=O)NN	1932768688	INAFFIUDMCMGNC-RRQHEKLDSA-N	202.254	-0.194	50	10	BBGE	
CC(C)(C)O[C@@H]1CCN(CC(=O)NN)C1	1933280223	HHXDEVWYZCXQKI-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
OC[C@H]1COCCN(C[C@H](O)CCl)C1	1933629371	DJVOJCAJWHHYHM-DTWKUNHWSA-N	223.700	-0.473	50	10	BBGE	
CN1CCCN(CC2(C(=O)NN)CC2)C1=O	1938259800	QFTAYUCYYFPQOC-UHFFFAOYSA-N	226.280	-0.486	50	10	BBGE	
Cc1ncc(CCN2CC(=O)OC(=O)C2)o1	1939237816	LPTXLOWBEVPACJ-UHFFFAOYSA-N	224.216	-0.089	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H]1COCCO1	1940287725	OSKDBYOCONTEMF-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1941084130	WLGGSQHADJWPRC-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN(CCOCC1CC1)C[C@@H]1C[C@H]1C(=O)NN	1941095574	YQQUXFDGFFNZLY-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOCC(C)(C)C1	1942416983	XGDMBKDBKPBOBF-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
CN(CCn1ccnc1)C[C@@H]1C[C@H]1C(=O)NN	1944475435	LQQYUFHBUWYAHY-VHSXEESVSA-N	237.307	-0.559	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2[C@H](C1)[C@@H]2CO	1944547904	LXMXWHPXANQDOQ-BIIVOSGPSA-N	249.261	-0.828	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)CC23CCC3)CC1	1949819173	QJNZSMJREBZVTI-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccc(O)c(O)c1O	1952876308	FRRZNKAYKQNVLP-NKWVEPMBSA-N	210.189	-0.312	50	10	BBGE	
COc1cc([C@@H](N)[C@@H](O)C#N)cc(O)n1	1953031502	OYQBQBRGCNUMQL-IMTBSYHQSA-N	209.205	-0.320	50	10	BBGE	
Cn1cc([C@@H](N)C(=O)CBr)nn1	1953366711	ZBFUHTSIICCNJI-ZCFIWIBFSA-N	233.069	-0.221	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@@H](O)C1	1954215835	QQTOQVFDDHVHQY-HTQZYQBOSA-N	203.673	-0.617	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H](O)C[C@@H]1O	1954819497	RINBZPFPKRAJAP-XVMARJQXSA-N	207.657	-0.384	50	10	BBGE	
CO[C@H]1CC(=O)N(S(=O)(=O)CCCl)C1	1956657238	NDOHNKZPZPAUQU-LURJTMIESA-N	241.696	-0.198	50	10	BBGE	
CON(c1nc(B(O)O)cs1)C(C)C	1956966024	OHVGDUFDLFVFTG-UHFFFAOYSA-N	216.071	-0.401	50	10	BBGE	
OB(O)c1ccn([C@@H]2CC[C@@H]3C[C@@H]3C2)n1	1957524211	KHZQBAFGAVNCLP-IWSPIJDZSA-N	206.054	-0.076	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](F)C[C@H]1C	1958676485	IDHPHFUCSDUVLZ-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
Cn1[nH]nnc1=NCC[C@H]1COC[C@@H]1Cl	1960669440	HNNYFFMMVOJMII-BQBZGAKWSA-N	231.687	-0.312	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](CF)C1	1961591822	FMNIFXNGKQIGLI-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(F)(CO)CC1	1975533046	YEPQFMKVKVULEA-QMMMGPOBSA-N	233.287	-0.449	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1976086240	BNJOZHZKUBMQDJ-IVZWLZJFSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)CC12CC2	1980718694	MBYUXNNTIFHMDV-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@H]2C1	1981416461	PHLLFUBZNMMNHE-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
CC[C@@H](C)Oc1ncc(B(O)O)c(OC)n1	1981420394	KLDMSOKZLGASBO-ZCFIWIBFSA-N	226.041	-0.658	50	10	BBGE	
CCN(OC)c1nc(C)nc(C)c1B(O)O	1981469834	YZWOPNXMCCPTSS-UHFFFAOYSA-N	225.057	-0.839	50	10	BBGE	
NC(=O)[C@H]1CCC[C@H]1NC(=O)NC(=O)CCl	1982022742	HBUUALNCYYSPKB-NTSWFWBYSA-N	247.682	-0.295	50	10	BBGE	
C[C@@H]1COCC(=O)N1CC1(C(=O)NN)CC1	1982047994	ZNSXVOFIJGLXGZ-SSDOTTSWSA-N	227.264	-0.996	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCCC(F)F	1984100941	DTGCCXGFIOHYDL-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
N#CC1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	1985358357	YRLDXBKLFWTBRB-PSASIEDQSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986730665	UDDXMUCJSIVGOU-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
C=C[C@@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1990540966	WUQAWBGNXYWXHF-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
C=C(CN1CCOC[C@@H]1C(F)(F)F)B(O)O	1992167895	RJWLFDVXBMBYMU-SSDOTTSWSA-N	239.002	-0.182	50	10	BBGE	
CO[C@H]1C[C@H](N(C)CCC(=O)NN)C[C@H]1OC	2001480315	JCXJZORQRHZHGC-OWUUHHOZSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1C[C@]1(C)CN(C)c1ncncc1B(O)O	2004916427	LODNOIYZPMTZER-GZMMTYOYSA-N	235.096	-0.361	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ncc(B(O)O)cc1F	2004933500	ILLDJDCLNAJHDD-IMTBSYHQSA-N	241.027	-0.686	50	10	BBGE	
COc1nc(N(C)[C@@H]2C[C@@H]2C)ncc1B(O)O	2005103624	IVNCRMUCLHUPJZ-POYBYMJQSA-N	237.068	-0.990	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2[C@@H](O)C[C@H]21	2008869453	AJMLOUOJCSULFB-RNJXMRFFSA-N	249.261	-0.543	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1COC2CC1C2	2011813341	QPUVMFYZMXAHCB-CQTQVWDRSA-N	239.319	-0.278	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1	2022196167	IERJCNXKVZKJSP-SECBINFHSA-N	231.060	-0.635	50	10	BBGE	
C=C[C@]1(CO)COCCN1[C@H](C)CC(=O)NN	2022249278	FNOMJJAEKOCZJE-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
Cc1ccc(OCc2cn(C)cn2)c(B(O)O)c1	2034037684	NTOUMJPMKJVULV-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1cc(C(=O)Nc2ncc(B(O)O)cn2)co1	2040767246	OYKYYPACWJTVJG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@@H]2C[C@@H]21	2052474375	ZPORZQDNEKWKFB-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
Cc1ncc(OCc2cncnc2)cc1B(O)O	2058407259	BWXYJGKENFCQTC-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CN(Cc1cncnc1)c1ncccc1B(O)O	2058464328	RPLXLZDOYXDAKG-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1COC2(CCC2)C1	2076748962	FJJHKRKPXBEHBB-VIFPVBQESA-N	249.075	-0.148	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]1c1ccccc1	2077492825	RMRGHXUWEOKEAN-RYUDHWBXSA-N	243.071	-0.078	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2COC[C@H]21	2077844200	MCAZZHVQKAFGHX-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC2(CC2)C1	2078406438	SAYABNYAFONIIV-SECBINFHSA-N	247.107	-0.075	50	10	BBGE	
C[C@H](CO)Sc1ncccc1B(O)O	2210066114	SAMUCLPITIBQSY-ZCFIWIBFSA-N	213.067	-0.766	50	10	BBGE	
C[C@@H]1CCC[C@@H](Cn2ccc(B(O)O)n2)O1	2210952245	FABRDZMFNUYYMC-BDAKNGLRSA-N	224.069	-0.480	50	10	BBGE	
CN[C@@H](C)CCOc1ccc(B(O)O)cn1	2212606292	ROGFXYHWGDEVLD-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
CC1(C)CC(Nc2ncc(B(O)O)cn2)C1	2212611073	UNIANHLXARFYAG-UHFFFAOYSA-N	221.069	-0.243	50	10	BBGE	
COC(C)(C)CNc1ncccc1B(O)O	2212615124	KALMJJZTPXUAQY-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
COC12CC(C1)N(C[C@H]1CC[C@@H]1C(=O)NN)C2	2215771245	GZRUWTIOXAQZBW-HUXNSBQSSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)CCC2=O)CCC1	2216487885	OQMZVLDJZWJOLO-MRVPVSSYSA-N	241.291	-0.870	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)[C@H]2C[C@@H]21	2216533853	HKMQTRABZZYQCU-UWVGGRQHSA-N	238.335	-0.465	50	10	BBGE	
CN(C)C1CC(Nc2ccc(B(O)O)cn2)C1	2217175306	HDGPZJFGCSNMFT-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
NC[C@H]1CCCCN1c1ncccc1B(O)O	2217184592	UQRCCHFOULQFDW-SECBINFHSA-N	235.096	-0.921	50	10	BBGE	
N[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CC1	2217196099	CLNKNUDWEYTZNK-MGCOHNPYSA-N	235.096	-0.557	50	10	BBGE	
CCN(C[C@@H](C)C#N)c1ncc(B(O)O)cn1	2217200140	QYHQLTWURSNKAU-QMMMGPOBSA-N	234.068	-0.858	50	10	BBGE	
C=CC[C@@H]1CCCN1c1ncc(B(O)O)cn1	2217201463	PQORLOIFWLHERG-SNVBAGLBSA-N	233.080	-0.299	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)Nc1cc(B(O)O)ccn1	2217203571	XEPCNKXTZNFZCJ-GZMMTYOYSA-N	238.096	-0.421	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220062314	GVWHCMFGRHNYCQ-ZYHUDNBSSA-N	248.135	-0.465	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1Cc1cccc(B(O)O)c1	2220072659	MJBDHRVSGUHWOW-GXFFZTMASA-N	248.135	-0.322	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCn2nccc2C1	2221569159	ZHBIJSOMEWMMLK-ONGXEEELSA-N	249.318	-0.285	50	10	BBGE	
Cc1ccnc(CNc2ncc(B(O)O)cn2)c1	2223632338	IJMSLMVXMMDMGL-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CCc1cnc(CNc2ccc(B(O)O)cn2)o1	2223638838	NJVWGOVNEPELAI-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1Nc1ccc(B(O)O)cn1	2223643454	VXWKNJSMWPEDIK-MWLCHTKSSA-N	249.123	-0.487	50	10	BBGE	
NC(=O)C[C@@H]1CCCN1C[C@@H](O)CCl	2241683919	MVUZUQGXSZRGRJ-YUMQZZPRSA-N	220.700	-0.074	50	10	BBGE	
C[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CCC1	2243350238	XYMMLUBHMUPESZ-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
CON(C(=O)C1(B(O)O)CC1)[C@@H]1CCOC1	2243364451	XIIOPRMVVNSDFJ-SSDOTTSWSA-N	229.041	-0.828	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]1C(F)(F)F	2243400059	VHXPIPXXUPVVEW-PHDIDXHHSA-N	234.970	-0.684	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@@H]2[C@@H](C1)C2(F)F	2243401631	UWXAZAGUPQAHCF-RNFRBKRXSA-N	228.991	-0.838	50	10	BBGE	
CC(F)(F)CNC(=O)c1csc(B(O)O)c1	2243407717	YBYVPXHJPQYHTN-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
CN(O)C(=O)c1cc(F)c(B(O)O)cc1Cl	2243478243	VWURMFZATCFMPA-UHFFFAOYSA-N	247.418	-0.380	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC[C@H]2COCCN2C)C1	2243502202	HAJPXLCKKCYFTR-DCAQKATOSA-N	247.770	-0.172	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)C(F)F	2243685806	BNVGRGLWTULQSR-UHFFFAOYSA-N	232.954	-0.291	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C=CCCC2)nc1	2244132671	RHVOCQRPSNZAMO-VIFPVBQESA-N	220.037	-0.356	50	10	BBGE	
CC(C)(C)CNC(=O)c1cc(B(O)O)co1	2244220630	FOVQTPHIKQWVBJ-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
C[C@H](O)CN(CCCC(=O)NN)C1CCC1	2244880967	BIXLRESQCCXICQ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc(S(C)(=O)=O)cn1	2245194423	ULNWPPBZIMRTKI-LURJTMIESA-N	246.292	-0.772	50	10	BBGE	
C=CCOCCOc1cc(B(O)O)cnc1C	2246745360	WKTYFYLBUOERTR-UHFFFAOYSA-N	237.064	-0.349	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCOC12CCC2	2247738152	NNLFVJZLJBPMGZ-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1ccoc1B(O)O	2247743017	XRHOVBHITDZQEF-WRWORJQWSA-N	235.048	-0.368	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(C(=O)C2(B(O)O)CCC2)C1	2247753609	BFSCMTCNUVIUID-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CCC[C@@H](CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788083	ZBNVLPYJYUBNBN-AEJSXWLSSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCCc1cn[nH]c1)[C@H]1C[C@@H](B(O)O)C1	2247791813	OWJSISPWBATDTO-DTORHVGOSA-N	237.068	-0.679	50	10	BBGE	
CCc1nocc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247797499	KGQOYLSJUJAVMT-JGVFFNPUSA-N	238.052	-0.284	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](CO1)C2)[C@H]1C[C@@H]1B(O)O	2247810560	YIDSYMLCPFZXIQ-HJGDQZAQSA-N	239.080	-0.465	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)o1	2247850462	OSECKVKYDGOVOJ-HTQZYQBOSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(B(O)O)cc1F	2247854036	WIUWIXBVPVYTJE-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCOC[C@@H]1F	2247871429	BBMLLESJKMBZFM-YUMQZZPRSA-N	245.059	-0.421	50	10	BBGE	
C#C[C@]1(C)COCCN1C(=O)C1(B(O)O)CC1	2247872594	VQCMHRFVDSFNIP-SNVBAGLBSA-N	237.064	-0.756	50	10	BBGE	
Cc1cccc(C(=O)NC2(C)CC2)c1B(O)O	2247873717	FPDXLGCSCNKVRL-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247878033	HAERWVVZRXDETI-SCZZXKLOSA-N	239.080	-0.512	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247892788	HWWLZXFGBAYKTM-MXAZLMSGSA-N	241.096	-0.362	50	10	BBGE	
O=C(NC[C@@]12COC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247894773	KTOMTUYFWKOSSY-KBIXCLLPSA-N	239.080	-0.608	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOC2(CCC2)C1	2247898809	HXUQBPURVGCALW-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@@H]2C1=O	2248072578	SSJFJWHLHRNMIF-VGRMVHKJSA-N	237.259	-0.993	50	10	BBGE	
O=C(O)C1(F)CN(C(=O)C2(B(O)O)CCC2)C1	2248578776	SGKONMYBRQGUHJ-UHFFFAOYSA-N	245.015	-0.981	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1cc(B(O)O)ccn1	2248741344	NNEQJRZFRJCQLS-PSASIEDQSA-N	232.092	-0.004	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H](C1)[C@H]2O	2249568326	TZSSNHXSMVSNLN-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1c1ncccc1B(O)O	2251029373	GGALHOXADMNRNC-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
Cn1ccc(CNC(=O)c2ccoc2B(O)O)c1	2255466672	BYYMVVJBRDHCIA-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@@H]3CC[C@@H]23)c1	2255513537	SZBANVCYPKBTKD-RKDXNWHRSA-N	245.087	-0.187	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@H]1C1CCC1	2255554659	PFZKMJHOPZERES-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)NC2CC=CC2)n1	2255576312	CVFNJFUXCLCBJV-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
C=C(C)CCNC(=O)c1nccc(C)c1B(O)O	2255577339	SPFCCFMZNSNORU-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
CC(=O)Nc1ccc(NC(=O)C#CB(O)O)cc1	2255674320	XOVHBHHEAFBEST-UHFFFAOYSA-N	246.031	-0.401	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ccnn1C	2255727995	YLDPDWLCHNDNHF-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@@H](CNC(=O)c1ccncc1B(O)O)C1CC1	2255729296	SQCQCRIMHJKFPN-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
Cn1cnc2c1CCN(C(=O)C1(B(O)O)CC1)C2	2255744458	JPXATDAKTUEJEF-UHFFFAOYSA-N	249.079	-0.688	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ncc(C)cc1B(O)O	2255788232	LZDSLEBJBLYWRX-MRVPVSSYSA-N	246.075	-0.931	50	10	BBGE	
C=CC[C@@H]1CCCN1C(=O)c1c[nH]nc1B(O)O	2255791393	OGZXWUXOMAONED-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cc(B(O)O)ccc1O	2256017695	SYSNKTMDIIZTCQ-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC2(CC2)C1	2256019021	VAIXDCTWOAAHIF-UHFFFAOYSA-N	247.059	-0.692	50	10	BBGE	
C[C@H]1C[C@H](O)CN([C@@H](C)C(=O)NN)C1	2297116697	MOBZTRJWBYSEIG-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165683	RZHDJFCEFKYKHK-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298568889	QNVQMRZVBFTNHW-WHSYLGORSA-N	239.080	-0.467	50	10	BBGE	
CC12CC(C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)CO2	2300512673	GPXLBEJCZOVWOS-PKNFABCVSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](O)CCNc1ccc(C=O)c(B(O)O)c1	2301421168	QNWHYWMNRXHPLQ-QMMMGPOBSA-N	237.064	-0.638	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)CC1(O)CC1	2301919457	PDHYSFNXVXMGQT-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2CC[C@H](O)C2)C1	2303152670	ZGFXBCCGMWLCQP-WCBMZHEXSA-N	242.084	-0.888	50	10	BBGE	
C#C[C@H]1CCCN1c1cc(B(O)O)c(F)cn1	2303835281	UJZSGEVXTXJLES-QMMMGPOBSA-N	234.039	-0.498	50	10	BBGE	
NNC(=O)Cn1c(CO)nc2ccccc21	58004058	PVLQXQFXDWXVEW-UHFFFAOYSA-N	220.232	-0.482	50	10	BBGE	
CC[C@H]1COCCN1[C@@H](C)C(=O)NN	82468005	WVCDQWNAGQBESK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
COCCCN(C)CC(C)(C)C(=O)NN	86597836	JELVSGHJMVHYHL-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125788491	ZEPOLFDJZHVODB-VLEAKVRGSA-N	241.335	-0.296	50	10	BBGE	
C#CCOCCC(=O)NNC(=O)C(F)(F)F	129458576	XZIQEXNAKUZKFE-UHFFFAOYSA-N	238.165	-0.264	50	10	BBGE	
CN(C)NC(=O)N1CCSC[C@H]1C(=O)O	149150633	ANFFXSOCTKYJSZ-LURJTMIESA-N	233.293	-0.325	50	10	BBGE	
COC(=O)NNC(=O)[C@]1(C)CCCO1	158791278	BBICGFZRGYMABX-QMMMGPOBSA-N	202.210	-0.057	50	10	BBGE	
CC(=O)NCCN/C=C(/C#N)C(=O)NC(C)C	217183828	QOGPBJVPCMSVGY-YFHOEESVSA-N	238.291	-0.356	50	10	BBGE	
C[C@H]1CCN(C(=O)NN(C)C)[C@@H]1C(=O)O	227072282	ILGZNWBKPJKQAK-BQBZGAKWSA-N	215.253	-0.032	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)CC[C@@H]1C	230357314	NRORNTSMTNTJEY-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@H]1CCCN(CCC(=O)NN)C1	234726530	FCNPFARSRZOFDW-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
NNC(=O)c1cc(F)cc(S(N)(=O)=O)c1	238559274	IMCHCIJAKYVOAQ-UHFFFAOYSA-N	233.224	-0.923	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](C)[C@H](C)C(=O)NN	252610146	ULGLMGFOJISZOT-DTWKUNHWSA-N	244.339	-0.541	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2c(c1)OCO2	258972738	IKDMZYYEXYPLQP-ZETCQYMHSA-N	223.232	-0.205	50	10	BBGE	
O=C1[C@H]2O[C@H]2[C@H]2O[C@H]2[C@H]1Br	306205425	GJJDIMLERSBQTA-AFVPELFESA-N	205.007	-0.133	50	10	BBGE	
CO[C@]1(C)CCN(CCC(=O)NN)C1	308467609	AACBCVUXPKMKGS-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
CCS(=O)(=O)NNC(=O)NC1CC1	308497463	UQVWCLUSNYBTMJ-UHFFFAOYSA-N	207.255	-0.698	50	10	BBGE	
Cc1cnc(SCCC(=O)NN)nc1O	308871142	SHIDICDMUDESQZ-UHFFFAOYSA-N	228.277	-0.037	50	10	BBGE	
Cc1ccc(B(O)O)cc1CO[C@H]1CCOC1	313752052	RAZWPGKKVJFUFM-LBPRGKRZSA-N	236.076	-0.020	50	10	BBGE	
COCCOCCN(C)C[C@@H](C)C(=O)NN	380976648	HGHSGPFWOWRTRR-SECBINFHSA-N	233.312	-0.793	50	10	BBGE	
N#C[C@H](Cl)CN1CC(CC(N)=O)C1	382209121	OGLUJKOSHZGHEE-ZETCQYMHSA-N	201.657	-0.075	50	10	BBGE	
Cc1cnn(-c2cc(F)c(B(O)O)cn2)c1	393762905	ZAKCBOQQSKIHQM-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CCCC(=O)NN	395061486	DULISUBCZOFQIC-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
O=Cc1cccc(B(O)O)c1C(=O)CCCl	396062689	WRYJISPTTIIREP-UHFFFAOYSA-N	240.451	-0.010	50	10	BBGE	
Nc1csc2c(B(O)O)c(CO)ccc12	396244029	LTCOVZTWFURBOM-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1c(O)sc2c(B(O)O)cccc12	396391198	YVZFBSROCIHPIZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C2COCC1COC2	399915157	HZLVGAWSZNAOAP-LGUIWLBCSA-N	243.307	-0.900	50	10	BBGE	
C[C@@H](SC[C@H]1CN(C)CCO1)C(=O)NN	400796433	WNHATYWZKGRDNF-HTQZYQBOSA-N	233.337	-0.571	50	10	BBGE	
CC[S@](=O)N[C@@H](C)c1ccc(B(O)O)cc1	404927593	PVLSMOHDYVZNTD-PWJLMRLQSA-N	241.121	-0.299	50	10	BBGE	
O=C(CC1CC1)NCc1cccc(B(O)O)c1	404995898	HJJQLWIANNFEBA-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
OC[C@H]1C[C@H](O)CN1CCBr	575471904	UOBLDJPVFHJPEZ-RQJHMYQMSA-N	224.098	-0.191	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)C(F)F	586366282	RIFDVQSRLQMDFH-CYBMUJFWSA-N	214.193	-0.875	50	10	BBGE	
NNC(=O)CNc1ccc([N+](=O)[O-])cn1	687760730	ZYTYULWQEVLTMZ-UHFFFAOYSA-N	211.181	-0.608	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)C(=O)NN	691452452	DJHBDUMWWXOYTH-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1C[C@H]2CCCN(C1)C2	718919012	VWULHPHLKGFAMN-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CN1CC[C@H]2[C@@H]1CCCN2C)C(=O)NN	720445058	KEOYKWIHSXGJPX-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCO[C@H](C)C1	721484303	PTODORVNFKJTMW-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)CCl	725696738	RUFUEULVSPUBMH-ZETCQYMHSA-N	232.667	-0.517	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc2[nH]nnc12	773702165	UMVBLCUBVHSYSG-UHFFFAOYSA-N	220.192	-0.866	50	10	BBGE	
COC(=O)[C@H](NNC(=O)C1CC1)C1CC1	781588277	RVOIRJQUQCDERQ-MRVPVSSYSA-N	212.249	-0.031	50	10	BBGE	
CCOC(=O)C[C@H](O)C(=O)NN(C)C1CC1	819652326	LGEOVQDAKNIZGF-QMMMGPOBSA-N	230.264	-0.574	50	10	BBGE	
CC#CCNC(=O)NNC(=O)[C@]1(C)CCCO1	836377068	MDHDMRLSHDHBLG-NSHDSACASA-N	239.275	-0.091	50	10	BBGE	
CCOC(=O)CC(=O)NNc1nnc(C)n1C	856051055	PEUFRKCUROPWHL-UHFFFAOYSA-N	241.251	-0.480	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)NC2CC2)C1	900382544	FLZRGZKFSPVJJB-HTRCEHHLSA-N	227.264	-0.096	50	10	BBGE	
Cc1nnc(NNC(=O)C2=COCCO2)n1C	1118967563	FNOBTBNVXTVCFN-UHFFFAOYSA-N	239.235	-0.545	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cncc2nc[nH]c12	1457837901	RYOPWLVSRSSMLS-UHFFFAOYSA-N	244.218	-0.167	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNc1ncccn1	1464020708	UZIOQXOFPTYVAU-UHFFFAOYSA-N	218.220	-0.115	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)c1cc[nH]n1	1644278693	MPFAHFPVOULAMS-UHFFFAOYSA-N	249.317	-0.168	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@]1(CO)C[C@H](O)C1	1877527812	XLYJYYIPDFFKAZ-JKMUOGBPSA-N	207.657	-0.384	50	10	BBGE	
N[C@H](CCO)C(=O)NC[C@@H]1C[C@@H]1Cl	1883551521	JWZOJHWLUHODLW-LYFYHCNISA-N	206.673	-0.560	50	10	BBGE	
N[C@H]1C[C@@H]1CNC(=O)C=CC(=O)Cl	1883626552	IDRBSJNLZSSHLA-RITPCOANSA-N	202.641	-0.229	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@H]1Cl	1883639546	NBIUCVPYWOKFQR-TXXZRHAASA-N	200.669	-0.052	50	10	BBGE	
N[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1883646891	FWFVKEKTNWOFSX-UGQQDIOTSA-N	202.641	-0.132	50	10	BBGE	
CCC[C@@H](NS(=O)(=O)CCCl)C(N)=O	1886789254	AFTJIZQMJAFYHI-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
COC(=O)[C@@H](CBr)N[S@@](C)=O	1892153245	XSJORSPQARWHLV-IOHHNLJHSA-N	244.110	-0.194	50	10	BBGE	
O=S1(=O)C[C@@H](NC[C@@H]2C[C@H]2Cl)[C@@H](O)C1	1893107210	KUFZAXCYWOYPAI-OSMVPFSASA-N	239.724	-0.639	50	10	BBGE	
N#C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1Cl	1893453453	NCWAAIQRJXLALS-CSMHCCOUSA-N	213.668	-0.062	50	10	BBGE	
O=C(O)[C@H](CCO)NC(=O)[C@H]1C[C@@H]1Cl	1893475068	PKLMFHJMGVZVPH-ZLUOBGJFSA-N	221.640	-0.435	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21)C(=O)NN	1894289301	ZHQQMBCMJMPSQH-DFTQBPQZSA-N	223.276	-0.521	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)C1	1895941006	KIEZZJBYLSHVIE-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1COC[C@H]1F	1896826715	BHOXJDQJCYDFGO-XUTVFYLZSA-N	229.207	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C1(C)C	1900686906	RAWUCSONYQGNNQ-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
CC[C@@]1(C(=O)NN(C)S(C)(=O)=O)CCNC1	1901339088	IDKBRAKURAAGGF-SECBINFHSA-N	249.336	-0.701	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1CC(CN)C1	1901368273	JPVJWMJSGYLSBC-UHFFFAOYSA-N	249.336	-0.716	50	10	BBGE	
CC1(CF)CN(Cc2nc(B(O)O)cs2)C1	1902638571	DFCNEFQZPWTDIG-UHFFFAOYSA-N	244.100	-0.386	50	10	BBGE	
Cc1scc(C(=O)N2CCC2=O)c1B(O)O	1902859768	IUZPGZJTRBOENX-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2C[C@@H]3C[C@H]3C2)O1	1909805738	QZMCBQAFPZKUDP-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914257973	HHSAHQIILJOYQN-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)C[C@H]1C#N	1914894770	KKERHUKKCZIXDR-SSDOTTSWSA-N	237.712	-0.348	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1917551054	VHHRDPQHJPZNHN-SOYHJAILSA-N	210.277	-0.108	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCSC1	1928183444	URRLATCOHXJUJS-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)CC(=O)NN	1929906985	ACRGUFHZIQURAF-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2CCCO2)CC1	1931266737	JQNASHJJIVWAEW-QMMMGPOBSA-N	214.265	-0.048	50	10	BBGE	
C[C@]1(CCl)CN(CCOCC(N)=O)C1=O	1931729946	NZCAILXYOKWMCF-VIFPVBQESA-N	234.683	-0.424	50	10	BBGE	
CC[C@H](O[C@H]1CCCOC1)C(=O)NN	1932290270	KTQWGSYXDCLXKE-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](CN1C[C@@H](C)[C@@H](F)C1)C(=O)NN	1932367671	BMMCHTOMJOECQX-PRJMDXOYSA-N	203.261	-0.098	50	10	BBGE	
CCN(Cc1ccc(F)cc1B(O)O)OC	1937135405	DLAGUSYPADSOHG-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CCON(C)Cc1ccc(B(O)O)cc1F	1937138223	VKUSWAMVKYFNLD-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
C[C@@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	1938248047	ZWBGKDVELIWKQC-SNVBAGLBSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13	1940824583	IRJRXDXURLNQBB-UGYAYLCHSA-N	239.275	-0.950	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1C	1941088623	RLVYJYBFEUVBHL-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)CN1CCCCCCNC(=O)CC1	1941339492	XFEFFKWTRMMWOR-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
NNC(=O)c1c(C=CC(=O)O)cnn1C1CC1	1951306465	ODOMWBVEGHUGMA-UHFFFAOYSA-N	236.231	-0.081	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)[C@@H](CO)C1	1955549774	BATMIOVWJQBKOF-GJMOJQLCSA-N	221.684	-0.185	50	10	BBGE	
NCC1CN(CC(=O)NCC(Cl)Cl)C1	1956726174	VMMDDSNGRNZKNF-UHFFFAOYSA-N	240.134	-0.203	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)C2(CCC2)C1	1960174385	VBGWJJFZFKAGKF-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
Cc1cc(CN(C)CCC(=O)NN)on1	1961297180	QGGBXCHJTIKQTJ-UHFFFAOYSA-N	212.253	-0.205	50	10	BBGE	
Cc1cc(C(=O)NNCCO)nc(C)n1	1974813678	NHSVPTXJADCRSU-UHFFFAOYSA-N	210.237	-0.680	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@@H]2C1	1981422438	OQKXEIDPGMWNQN-DTWKUNHWSA-N	218.065	-0.392	50	10	BBGE	
OB(O)c1cnc(OCCC2CCC2)nc1	1981429164	AYWOOKZREMNCCF-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
OB(O)c1cccnc1Sc1cnccn1	1981454423	JKJZFZDZIJCEGS-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CC1(C)CC(n2cccc(B(O)O)c2=O)C1	1984107560	RHHMAOHHOPJXCL-UHFFFAOYSA-N	221.065	-0.111	50	10	BBGE	
CO[C@@H](C)COc1ncc(B(O)O)cc1Cl	1986049688	VMJVIQJUGSWABF-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
COC[C@H](C)CCOc1nc(B(O)O)cs1	1987528969	VVKGTSAKTWOBEW-SSDOTTSWSA-N	245.109	-0.126	50	10	BBGE	
CC1(COc2ncc(B(O)O)cn2)CCC1	1989509416	DBCXKKDTFBZZBR-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	1990325937	WCJPIWLYNFNQCQ-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](O[C@@H]1COCC1(F)F)C(=O)NN	1991603237	MMONPZCKKUIGMO-PHDIDXHHSA-N	240.206	-0.958	50	10	BBGE	
C[C@@]1(CO)C[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1991706514	QGSGDVVANOGDOS-BDRIAGRASA-N	247.678	-0.348	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CNCCCO1	1991714403	GGYOPRSICCFNAX-UFUPEUMYSA-N	246.694	-0.197	50	10	BBGE	
C=C(CN1C[C@@H]2CN(C)CC[C@H]2C1)B(O)O	1992152329	CWWUNJHZJZSGIZ-QWRGUYRKSA-N	224.113	-0.562	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ncc[nH]2)CC1	1992291357	YNLWGRKMDMNLPW-UHFFFAOYSA-N	220.232	-0.100	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(OCCCO)C1	1995185469	YKUASXJAXMGXLM-UHFFFAOYSA-N	247.678	-0.082	50	10	BBGE	
C[C@H](CN1C[C@H]2CCC[C@]2(CO)C1)C(=O)NN	1997171051	REMGJVSTSAFECH-CKYFFXLPSA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[C@@H]1CO	2000984196	NUHLNZATGYTLBC-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(n2ccnn2)C1	2003859059	STQKNNGBBFUPRX-VIFPVBQESA-N	238.295	-0.851	50	10	BBGE	
CN(Cc1cccs1)c1ncncc1B(O)O	2004915244	XJOKLYKSHUMGDO-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1nc(OC[C@H]2CCCO2)ncc1B(O)O	2004930411	UDZYLDSSIDYFOJ-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
Cc1ncnc(N2CC(C3CC3)C2)c1B(O)O	2004975380	YCQXWTLKZGQZSC-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2nc(C)cc2C)n1	2005009150	IUQDICNQGLHYHY-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
NNC(=O)C1(CN2[C@H](CO)[C@H]3CC[C@@H]2C3)CC1	2008979580	KWCFQWRWRZYHLP-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
COCC[C@H](C)C(=O)N[C@H]1CCC=C1B(O)O	2020068079	NVCRCJFIDXCVSG-WPRPVWTQSA-N	241.096	-0.124	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1CC12CCC2	2032141627	LARNCQFZQVUCCN-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
Cc1cc(OCCn2cncn2)cc(B(O)O)c1	2049635060	RGPWWCPVXLDEAQ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1ncnc(N(C)Cc2ccoc2)c1B(O)O	2052553195	DNSCACPHTGGZGP-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CCOc1cc(OC)cc(B(O)O)c1[N+](=O)[O-]	2060016743	GBLRARYKRZALPS-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
OB(O)c1cccc(COC[C@@H]2[C@H]3COC[C@H]32)c1	2080319286	PYFPBCMKAZTVQE-XYYAHUGASA-N	248.087	-0.225	50	10	BBGE	
C[C@@H]1CCC[C@H](Cn2cc(B(O)O)cn2)O1	2210953990	OSRWTNHODBLYOO-PSASIEDQSA-N	224.069	-0.480	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3C[C@H]2CO3)c1	2211072483	MNHUNGJWGQMSJM-DTWKUNHWSA-N	239.105	-0.599	50	10	BBGE	
Cn1cc(OCC2(C(=O)NN)CCC2)cn1	2212267437	VTJBMIBBVFQBLV-UHFFFAOYSA-N	224.264	-0.041	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1cc(B(O)O)ccn1	2212602530	FVBMWKOKEPOYTJ-VXNVDRBHSA-N	222.053	-0.649	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC12CCCC2	2212759865	MJWJHJLRRWAQIH-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](COc1cncc(B(O)O)c1)CN(C)C	2212987006	KYJUUGCDDGIEHD-SECBINFHSA-N	238.096	-0.662	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2C[C@@H]2C1	2216638190	STFKMUQZUPDOLG-MBTKJCJQSA-N	233.080	-0.609	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1Nc1ccc(B(O)O)cn1	2217173001	NVZPSPJDAVSFJW-WCBMZHEXSA-N	235.096	-0.877	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCOC2)c1	2217175094	DEQITMUBXSIPLU-VIFPVBQESA-N	236.080	-0.400	50	10	BBGE	
COC[C@@H](Nc1cc(B(O)O)ccn1)C(C)C	2217175813	NPRJVGSTJTWNGO-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
CC[C@@H](COC)Nc1nccc(B(O)O)c1F	2217185347	VSULCLXQIKPJTJ-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
CC1(C)C[C@H](CNc2ncc(B(O)O)cn2)O1	2217198181	XSSVXIMGZNCSKO-MRVPVSSYSA-N	237.068	-0.864	50	10	BBGE	
C#C[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217199458	MLSKPMAZCYDFHN-MWLCHTKSSA-N	230.076	-0.025	50	10	BBGE	
CC[C@@H](CCO)CNc1ncccc1B(O)O	2217200923	BNVIIBXFQSGNKC-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1F	2223653056	NREJKSNXWXAVIF-OPHUWQHGSA-N	248.066	-0.033	50	10	BBGE	
N=c1ccc(COc2cc(B(O)O)ccn2)c[nH]1	2223663341	XWKLPGOHAKGKKK-UHFFFAOYSA-N	245.047	-0.852	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCC[C@H]1NCC2	2223671424	LTGUHUNPGUGCPH-PWSUYJOCSA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1ccnc(NCC2CC3(CNC3)C2)c1	2223674755	NEKPNFBSYDLOEE-UHFFFAOYSA-N	247.107	-0.827	50	10	BBGE	
COCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2241475184	SHHXJHPUKKALCJ-KNVOCYPGSA-N	201.031	-0.998	50	10	BBGE	
N[C@@H](C(=O)N[C@H]1C[C@H](Cl)C1)C1COC1	2241653246	FPLKVYBVEPNFTG-BWZBUEFSSA-N	218.684	-0.154	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	2242027482	VIRDBVSQBRSGRW-ACZMJKKPSA-N	220.700	-0.172	50	10	BBGE	
CO[C@H](CCl)CNS(=O)(=O)N(C)C	2242441732	WQLFSMTWAWCREV-ZCFIWIBFSA-N	230.717	-0.364	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CC=CC[C@H]2C1	2243357282	ULPVYQZCWWGSPI-UWVGGRQHSA-N	219.049	-0.574	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)o2)C1	2243357658	ZRFGDSKXRLDXDS-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1csnc1B(O)O	2243378185	OCQATMQSCCRHBM-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
CNC[C@H](C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382245	MHSHTTYHBANYSD-XHNCKOQMSA-N	228.101	-0.694	50	10	BBGE	
C[C@H]1[C@H](CN(C)C(=O)C#CB(O)O)C1(F)F	2243399278	LHVLNFLQYUTKHJ-BQBZGAKWSA-N	231.007	-0.639	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ncsc2B(O)O)[C@@H]1C	2243408784	VAYNDABDYIEJMX-FPFOFBBKSA-N	240.093	-0.793	50	10	BBGE	
Cc1oncc1CNC(=O)C1(B(O)O)CC1	2243411668	YCQQWIFCPUGYMV-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
CCN(CC)C(=O)c1c(C)nsc1B(O)O	2243415541	XHYDSOOTRYUCHO-UHFFFAOYSA-N	242.109	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](C(F)F)C1	2243420336	QURKSWXGTGGKQA-QYNIQEEDSA-N	233.023	-0.037	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1cc(B(O)O)co1	2244212599	SBYXZLISFZBUPJ-FSPLSTOPSA-N	243.455	-0.684	50	10	BBGE	
C=CCN(OC)C(=O)c1nscc1B(O)O	2244266773	JBTJTYSLKYNLSD-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	2245140360	RERXJFGWSSSBMF-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2247771065	SPCBHMTWGNHQFX-QMMMGPOBSA-N	236.080	-0.464	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)C1)[C@H]1C[C@H](B(O)O)C1	2247789729	ARBMBNJQEHLQBR-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2247798259	RTVNCXGCNUMPGM-DLXYEPTOSA-N	238.096	-0.909	50	10	BBGE	
CCCC=CCNC(=O)c1c[nH]nc1B(O)O	2247800605	QPSFCGRJOFHUBX-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806553	FXYDQTFESMGMRN-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247808453	KYFVULYPMVLLGJ-CHIWXEEVSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1Cc2ccccc21	2247848357	LAXPLWDENGPVPO-JTQLQIEISA-N	229.044	-0.542	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247851285	XSCHNQKOIYRWDZ-SSDOTTSWSA-N	236.080	-0.530	50	10	BBGE	
C=CCNC(=O)c1c(OC)cccc1B(O)O	2247876457	PNDYXNIQBHMPNI-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCN[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894194	DEEZJBPDIMJGDX-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC(C(=O)O)C1	2248592499	CJFQXZDFMMKSCF-DWYQZRHDSA-N	241.052	-0.829	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cocc1B(O)O	2249416727	WNFZOCMSHRTPFM-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1cocc1B(O)O	2249427733	KLMYJGAGGJHBOZ-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250690747	IADKSYNJAWTGDV-JIIGURBLSA-N	238.096	-0.953	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)ccc1OC	2255500081	GZJPCBRTQFAUCE-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)C1(C)CC1	2255517320	BPNRTNZJPMXIRD-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ncncc2B(O)O)C1	2255520409	KFXRLXFUFYDVLX-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1nccc(C)c1B(O)O	2255580451	CSVKMDMBCIIIOY-RKDXNWHRSA-N	248.091	-0.402	50	10	BBGE	
N#CCCN(C(=O)c1occc1B(O)O)C1CC1	2255737571	GNDBIXXQRBRQFZ-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1C=CCC1	2256598354	PMQLMNFKEURQBU-LLVKDONJSA-N	245.087	-0.051	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@H]1C[C@@H]1B(O)O	2298375382	HSSOIAHJWABBDT-KBIXCLLPSA-N	239.080	-0.656	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1CO	2298377278	KTLQIVFNIINUQW-KATARQTJSA-N	241.096	-0.674	50	10	BBGE	
NC[C@@H](Oc1cc(B(O)O)c(F)cn1)C1CC1	2303856648	XBGFCWINBMKBJG-SECBINFHSA-N	240.043	-0.983	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1N[C@H]2CC[C@H]1C2	2317160748	HTQMQMXAJYGRSM-QWRGUYRKSA-N	243.075	-0.516	50	10	BBGE	
COc1ccccc1N(C)C(=O)C(=O)NN	49966775	YWLFPMQGSLOPES-UHFFFAOYSA-N	223.232	-0.352	50	10	BBGE	
CC[C@H](N)CSC[C@H]1CC[C@H](C(=O)NN)O1	85346984	UKLOBLRTOKQKPK-DJLDLDEBSA-N	247.364	-0.006	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCO[C@H](C)C1	86313306	UIRCPNUPLOWHBH-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
Cn1c(N)nnc1SCC(C)(C)C(=O)NN	86598396	QOCWFZLIQIGQCO-UHFFFAOYSA-N	244.324	-0.495	50	10	BBGE	
COCCN([C@@H](C)COC)[C@@H](C)CC(=O)NN	104112003	XNDSXSDNXQABER-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
O=C(O)c1cc2ccc(B(O)O)cc2[nH]1	206303295	TUFYCTPCDLUKLW-UHFFFAOYSA-N	204.978	-0.454	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(C)(C)O	211782852	SGFOBBGKIHYKRC-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](N(C)C)C1	226121839	BCPDAYSQSIYHHZ-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
COC[C@H](O[C@@H](C)C(F)(F)F)C(=O)NN	232418510	HEJMIVNDOUSSSJ-WHFBIAKZSA-N	230.186	-0.041	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)c1ccccc1C#N	232420570	DYXYZSNTWBRLQZ-NSHDSACASA-N	248.286	-0.001	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@H](OC)C1	233894930	HPIMPTLGSMYMFE-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
OCCCc1ccc2c(c1B(O)O)OCO2	258382848	IVNBMTILNRVHBK-UHFFFAOYSA-N	224.021	-0.980	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2c(c1)OCO2	258972736	IKDMZYYEXYPLQP-SSDOTTSWSA-N	223.232	-0.205	50	10	BBGE	
O=C(O)CNC(=O)NNC(=O)c1ccco1	261302977	CCGGZKTUGFZEBU-UHFFFAOYSA-N	227.176	-0.692	50	10	BBGE	
OB(O)c1ccc2nc[nH]c2c1CCl	307100620	GYBXXAYYHBOMPE-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
Nc1cc(O)c2scc(B(O)O)c2c1	307291728	KIDNBZJEISTYDE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H](F)CN1)C1CC1	378796314	QQWOYZZEWIJAHL-NKWVEPMBSA-N	215.228	-0.756	50	10	BBGE	
Cc1nc(N2CCC(C)CC2)ncc1B(O)O	382737080	XMXTUXXPCRUYNO-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C(C)(C)C1	388212157	UXFFRGBOKJLLPV-XHNCKOQMSA-N	229.324	-0.296	50	10	BBGE	
Nc1sc2ccc(B(O)O)cc2c1C(=O)O	396251664	YRRGDFNRWLGYGW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C)(CO)CC1	402743306	JKAUOBDBKDMIKK-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CC1(CO)CCN(CCC(=O)NN)CC1	402813092	VMZBEAJRYKSVNK-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)N1CCCC1	405092987	VGZQYHFKHXBVMZ-UHFFFAOYSA-N	248.091	-0.328	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H](C)C(=O)NC	490781814	FFSKPIPMPRAGKD-UQBZRGDZSA-N	225.248	-0.319	50	10	BBGE	
NC(=O)c1csc(N2CC[C@H](B(O)O)C2)n1	585079361	ZBLKVEMAQORBLX-YFKPBYRVSA-N	241.081	-0.705	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CC1)C(=O)C(=O)NN	698365657	MEVQPSMOLLOEPC-JGVFFNPUSA-N	211.265	-0.519	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCN(C(=O)Cl)C1	703155964	DJGOICSWPDEVKK-YFKPBYRVSA-N	226.685	-0.031	50	10	BBGE	
CN1CC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703449300	QDQAFXVCMLCUQQ-VGMNWLOBSA-N	224.260	-0.393	50	10	BBGE	
CNNC(=O)[C@H](NC(N)=O)c1ccccc1	707580300	QRFUWYMIVGGOJF-MRVPVSSYSA-N	222.248	-0.353	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)C[C@@H](C)O1	709920182	SKPWCBNZIDWNIF-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCS[C@H](CO)C1	720069075	MDTZBVGTGOYRFB-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2OCC[C@@H]2C1	724821656	IYUOTLKOWMLLST-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
Cc1c(C(=O)NNC(=O)[C@H]2C[C@H]2C)nnn1C	743340027	XJKCESLNPKFXRA-VDTYLAMSSA-N	237.263	-0.459	50	10	BBGE	
COCCCC=NNC(=O)NCC(=O)OC	777446052	DJSPARMYGBEHJH-UHFFFAOYSA-N	231.252	-0.129	50	10	BBGE	
CCN1CC(CN(C)CC(C)(C)C(=O)NN)C1	822037580	RDUGXFPKNAQMAA-UHFFFAOYSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1C(=NNC(=O)c2cn(C)nn2)CO[C@@H]1C	853382605	GVFMLBBQDJVSBH-RNFRBKRXSA-N	237.263	-0.044	50	10	BBGE	
C[C@@H]1CC(=O)N2N[C@H](Br)N[C@H]2N1	952958887	UKSBXWRUSJLTKB-UYFOZJQFSA-N	235.085	-0.733	50	10	BBGE	
CC(=O)NN=Cc1c(C)nn(CCO)c1C	1084479871	HYSIFFJBGHIUFT-UHFFFAOYSA-N	224.264	-0.038	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)OC	1182158228	RSDSEJOKBHFSBO-ZCFIWIBFSA-N	200.194	-0.588	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2cnn[nH]2)CCC1	1443541280	MZSPQZMVLGXBEE-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
Cc1nnc(NNC(=O)c2cccnn2)nc1O	1472479602	ATMGOIUCKBCJSC-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
Cc1nnc(NNC(=O)c2[nH]cnc2C)nc1O	1608542132	WEGCLJNXIHWAFY-UHFFFAOYSA-N	249.234	-0.326	50	10	BBGE	
CC(=O)NNC(=O)c1cccc2ncnn12	1624651873	PLYXTJJHMUFXBP-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)CCCCl)C(=O)O	1865986680	JGGOIHRDUJCPKK-CAHLUQPWSA-N	223.656	-0.044	50	10	BBGE	
O[C@@H]1[C@H](O)CN(C[C@@H]2C[C@@H]2Cl)[C@H]1CF	1878011796	KMFYWYIJWMAHNS-XRBOHMRVSA-N	223.675	-0.011	50	10	BBGE	
Br[C@H]1C[C@H]1CN=c1nn[nH][nH]1	1880433424	GAXAALFAPRNGOP-IMJSIDKUSA-N	218.058	-0.183	50	10	BBGE	
O=C(O)CS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883563480	LHKURMUJMWETCK-WHFBIAKZSA-N	227.669	-0.382	50	10	BBGE	
C=C(Cl)C(=O)NN(C)S(C)(=O)=O	1888561772	JHSPZZWBEYCXEB-UHFFFAOYSA-N	212.658	-0.339	50	10	BBGE	
O=S(=O)(CCl)NCCC#CCO	1892494422	WXHDWRNHDYMUMY-UHFFFAOYSA-N	211.670	-0.512	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](Cn2cncn2)O1	1896930592	WHCSYEPRTNXNMT-YUMQZZPRSA-N	225.252	-0.794	50	10	BBGE	
C=C[C@H](CCl)NC(=O)Cn1cnnn1	1901505219	SUHGJIHZYKHVIY-ZCFIWIBFSA-N	215.644	-0.417	50	10	BBGE	
CCN(CC(B(O)O)=C(C)C)C1CN(C)C1	1901614502	ZYCACGNOVIVGLY-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](O)[C@@H]1C	1901768175	ZLHIWRPZODMHSQ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CN1CCC[C@H](CN2CC[C@H](B(O)O)C2)C1	1902528153	FHLWKWLFIBBUGN-QWRGUYRKSA-N	226.129	-0.123	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]2C2CC2)n1	1902639716	UUCRGNLZOIIGEX-QMMMGPOBSA-N	238.121	-0.193	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@H](F)C2)n1	1902640544	FMSFVCGZJMWNDI-ZETCQYMHSA-N	244.100	-0.243	50	10	BBGE	
CC[C@H]1CCN1c1cc(B(O)O)c(F)cn1	1903010275	NVRZNOWXVAFNOL-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)CN(C)C	1904707457	HNSLSMKXXWKFKM-VHSXEESVSA-N	230.356	-0.117	50	10	BBGE	
CCN1CCCN(C[C@H](C)C(=O)NN)C1=O	1905341257	YWWIWCKSZSZHKQ-QMMMGPOBSA-N	228.296	-0.240	50	10	BBGE	
O=S(=O)(C=Cc1ccccc1)NCB(O)O	1911761852	QIYRRYZNGQXXKU-UHFFFAOYSA-N	241.077	-0.411	50	10	BBGE	
COCC1CN([C@@H](C(=O)NN)C(C)C)C1	1916280754	BZQWQJWWDBSXRD-SECBINFHSA-N	215.297	-0.421	50	10	BBGE	
C[C@H]1C[C@H](NNC(=O)C(F)(F)F)C(=O)O1	1923425532	YLWXXGPSIOZYMB-IMJSIDKUSA-N	226.154	-0.127	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCc2nn[nH]c2C1	1927869229	RSQYFJXACZWLSO-LURJTMIESA-N	209.253	-0.498	50	10	BBGE	
OC[C@@H](O)[C@@H]1COCCN1CC=CCCl	1928573347	IMMXSMDENBTPPZ-VHSXEESVSA-N	235.711	-0.165	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)C[C@H]1C	1934982239	YPZOYVDMQBJCAX-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
COCCOCCOCC1(C(=O)NN)CC1	1938261030	WWYLOCUWIHGLAW-UHFFFAOYSA-N	232.280	-0.564	50	10	BBGE	
N#Cc1ncn(CC(F)(F)C(=O)NN)c1C#N	1940894768	AEGUYIHAUFNGCE-UHFFFAOYSA-N	240.173	-0.748	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C(C)=O)C1	1941987913	FJGSGQARGVKHDT-JTQLQIEISA-N	241.291	-0.545	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCCN1C(=O)C1CC1	1944212829	CCQNPKSJEFNKIM-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)C(=O)C1	1954036670	IFQVGJAXGSNWQO-SSDOTTSWSA-N	201.657	-0.109	50	10	BBGE	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)NN	1956780860	GILZDSWOSXVZHQ-LURJTMIESA-N	223.298	-0.675	50	10	BBGE	
O=C(CCl)NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12	1957244231	NYXXULDMDDXMQU-POBXSPIYSA-N	237.708	-0.368	50	10	BBGE	
COC[C@H](NC(=O)C[C@@H](C)Cl)C(N)=O	1957319050	RQPLXYYQFYSLAE-RITPCOANSA-N	222.672	-0.380	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)[C@@H](C)CCl	1958192255	YTCHDEYLFMZIHW-IONNQARKSA-N	239.699	-0.653	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@@]2(O)C1)C(=O)NN	1961406909	PEKFXUDQVGLIKU-NQMVMOMDSA-N	213.281	-0.931	50	10	BBGE	
Cc1nc(N(C)C(C)C)ncc1B(O)O	1961706413	SVBPCZCQKWPECQ-UHFFFAOYSA-N	209.058	-0.691	50	10	BBGE	
Cn1cc(Sc2nc(B(O)O)cs2)cn1	1961722515	HRYCWUOCVARFCO-UHFFFAOYSA-N	241.106	-0.292	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cccc(O)c1	1962396249	CFQLFPIDDMGULJ-UHFFFAOYSA-N	230.245	-0.278	50	10	BBGE	
O=C(NC1CC(F)C1)c1cccc(B(O)O)c1	1963585552	BYQYLGPUVPCDBE-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
Cc1cc(C(=O)N2CCC(B(O)O)CC2)ncn1	1964500427	KEPOADHPJOQQCI-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
CC(C)(C)C(=O)Nc1ncc(B(O)O)cn1	1976031042	BZBKYGCVJFCNAE-UHFFFAOYSA-N	223.041	-0.859	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@@H]2CCCCO2)C1	1981088667	LVTHENHYCNSYCB-DTWKUNHWSA-N	229.280	-0.160	50	10	BBGE	
CCN(CC1CC1)c1ncccc1B(O)O	1981423379	CQNHNHCAJHAGEZ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
NNC(=O)c1sncc1CN1CC(CO)C1	1981735031	XPSIERDMNHLYAX-UHFFFAOYSA-N	242.304	-0.829	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cccnc1C#N	1982309813	LIHHUEKULBIJSI-UHFFFAOYSA-N	240.244	-0.717	50	10	BBGE	
CO[C@H](C)CCN(C)c1nc(B(O)O)cs1	1984688702	RRMWASJEPVUKPA-SSDOTTSWSA-N	244.125	-0.316	50	10	BBGE	
CC(=O)NNC(=O)CN1CC=C(C#N)CC1	1990777050	SZSSMFQFEPOOLN-UHFFFAOYSA-N	222.248	-0.691	50	10	BBGE	
C[C@H]1OCC[C@H]1CCn1ccc(B(O)O)n1	1991152919	UVHRTEUIWRLWFH-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@](O)(CO)C1	1991651076	QYTJRARDFRXLNL-SNVBAGLBSA-N	247.678	-0.346	50	10	BBGE	
C=C(CN1C[C@H](CC)[C@@H](N(C)C)C1)B(O)O	1992147109	ZDZQGTDCYGROOB-QWRGUYRKSA-N	226.129	-0.173	50	10	BBGE	
O=C(NCC#CB(O)O)C1C2(CC2)C12CC2	1992152505	GBADMRTVYABTIZ-UHFFFAOYSA-N	219.049	-0.692	50	10	BBGE	
CC1(C(=O)NCC#CB(O)O)CC(F)(F)C1	1992154533	ZTTSHMUTOIZAGQ-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
C=C(CN(C)[C@@H](CCOC)COC)B(O)O	1992167914	RTIDNSFHVMADTC-JTQLQIEISA-N	231.101	-0.462	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@@H]2C[C@H]21	1995196793	BHCXDRGUAKIWHE-ZXFLCMHBSA-N	220.037	-0.666	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	1995621237	RIXIHRAGQLSAOI-ARNAQWBWSA-N	221.304	-0.193	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCNC(=O)[C@@H]1C(C)C	2003812114	IVQAPPUGTBUIJT-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CCN(CC(C)(C)C(=O)NN)[C@H]1CCNC1=O	2004315263	XSYHAQBOZGTEBX-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1cnn(C)n1	2004801132	PABRGOWHFSPUOJ-VIFPVBQESA-N	240.311	-0.595	50	10	BBGE	
C[C@H]1C[C@@H](N(C)c2ncccc2B(O)O)CO1	2004934304	DLRNMHFTLLVZFC-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)c2ncccc2B(O)O)C1	2004935889	REVVECXAEOIAJB-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
CN(C)CCOCc1ccc(C(=O)NN)nc1	2007739947	CKARAGGADIRCQN-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
COc1ccncc1CN(C)[C@H](C)C(=O)NN	2008258246	ZXUAWHMEMUKLNE-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
CN(C)C1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010835798	SHIRVRXZWBHLIE-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCOCCOC	2013417205	GTPUHPNWGBQNRE-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COC[C@H]32)cc1	2013467584	FLSSOGAQPXKDKF-ZYHUDNBSSA-N	233.076	-0.803	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@@H](C)CCC(=O)NN	2014233200	ZMRDFICVWAMPLK-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CCO[C@]1(CN(C)CCC(=O)NN)CCOC1	2014573624	QKCSMKFDQQTPRW-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
CC(C)CC1(O)CN(CC2(C(=O)NN)CC2)C1	2014744547	ILGJISSJWIGXJR-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
CCc1ccn(-c2ncc(F)cc2B(O)O)n1	2014932168	KGHJVBATJPNHJC-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
C[C@@H](CN1CCCNC(=O)C1(C)C)C(=O)NN	2018185679	RMDXBCNGQCOBJM-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
COCC1=CCN(CC(=O)NNC(C)=O)CC1	2019213379	VOEVJMVVNOTMHE-UHFFFAOYSA-N	241.291	-0.568	50	10	BBGE	
CN(CCOC(F)F)c1ccc(B(O)O)cn1	2023986557	IKXSCLBIKLKXGD-UHFFFAOYSA-N	246.022	-0.563	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1ccnc(B(O)O)c1	2025664921	YWESECYKPHTDTP-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
CN(Cc1cn(C)cn1)c1ncccc1B(O)O	2052493620	DSKURCBCSCFOSU-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@@H]2C[C@H]2C1	2058160932	OUXDQRHJFRHTMB-GMTAPVOTSA-N	247.103	-0.036	50	10	BBGE	
COc1c(B(O)O)ccc(Cl)c1[N+](=O)[O-]	2060015699	HOFJUTGRMHYFIM-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
Cc1cc(B(O)O)c(C=O)cc1[N+](=O)[O-]	2060282735	RGJXPPNCLOSCHC-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
OB(O)c1ccc(N(CC2CC2)C2COC2)nc1	2073410397	SEVHSQJDTMFNKI-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
CCN(C[C@H]1CC[C@@H]1C(=O)NN)OC	2209906588	KZXOIRXCMWEGLL-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O	2210148117	ZQUQHLGCXFJVRB-HYXKCKHISA-N	247.678	-0.302	50	10	BBGE	
CN1CC[C@@H](COC[C@H]2C[C@@H]2C(=O)NN)C1	2211768196	JVUPDXLOJPYVBF-BBBLOLIVSA-N	227.308	-0.419	50	10	BBGE	
CCN1CC[C@H](OC[C@H]2C[C@@H]2C(=O)NN)C1	2212263151	RWVLHLKUZZEUPT-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCCC[C@H]1CO	2215775379	GOFIXKCMCSRZQJ-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
NC[C@H](Nc1ncccc1B(O)O)C(F)(F)F	2217176508	XCHBVHQRUWNZPS-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
OCC[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C1	2217195830	ABWYKMKNIYCWKR-CZMCAQCFSA-N	236.080	-0.666	50	10	BBGE	
CO[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)C1	2217195845	AGWHAYBKVNSHMR-WAAGHKOSSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](O)CN(CC)c1ncccc1B(O)O	2217198081	WDHDGFVOAUPZEN-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
N#CC[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2217201870	SGJUASYBUCYIRR-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
Cc1oncc1CN=c1ccc(B(O)O)c[nH]1	2217202914	MYCXGSWIPCBZPK-UHFFFAOYSA-N	233.036	-0.908	50	10	BBGE	
Cc1cnc(N[C@H]2CCCC[C@H]2N)cc1B(O)O	2223642196	ZAZINQAXTJRCAV-MNOVXSKESA-N	249.123	-0.248	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@H]2CC[C@@H]21	2223642203	GPSQJZBGSMNKQY-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(NC2(CN)CCCC2)cc1B(O)O	2223650058	HQOFIIARADPOFG-UHFFFAOYSA-N	249.123	-0.247	50	10	BBGE	
O=C(NCC=CB(O)O)C1(Cl)CCC1	2241569947	DDGXFNAPAOIMPH-UHFFFAOYSA-N	217.461	-0.168	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1nscc1B(O)O	2243348218	VIRHHFJCDVKYPP-LURJTMIESA-N	240.093	-0.649	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@H]2C[C@@H]21	2243350195	XKDFJORAMCXPNT-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(B(O)O)cn1	2243373950	BKYLVHMVTKYTCX-UHFFFAOYSA-N	224.025	-0.999	50	10	BBGE	
O=C(N[C@H]1CCCNC1)C1CC(B(O)O)C1	2243391646	MUHIGKYPZPDROJ-HACHORDNSA-N	226.085	-0.892	50	10	BBGE	
O=C(C#CB(O)O)N1CCS[C@@H]2CCC[C@H]21	2243399206	JZLSOJUVQJNGDW-RKDXNWHRSA-N	239.105	-0.502	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2243399513	MYAPNRZLFJYKME-UHFFFAOYSA-N	224.069	-0.387	50	10	BBGE	
C=C(CS(=O)(=O)Nc1ccccn1)B(O)O	2243412594	PWJBGRRGEAVVPV-UHFFFAOYSA-N	242.065	-0.609	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@]1(C)C[C@H]1C)B(O)O	2243413110	ZTDCCMXCKNRVRG-VXNVDRBHSA-N	247.125	-0.480	50	10	BBGE	
COC[C@]1(C)C[C@H]1Cn1ccc(B(O)O)n1	2243826290	VHHKHTLJUXIIOF-WPRPVWTQSA-N	224.069	-0.765	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1cc(B(O)O)co1	2244212601	SBYXZLISFZBUPJ-VDTYLAMSSA-N	243.455	-0.684	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](N1CC(=O)OC(=O)C1)C2	2244348956	YCGZAUNVEDSGKA-FYBVGQRMSA-N	225.244	-0.061	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1coc(B(O)O)c1	2247733073	LXPWIQBZTAIJKX-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
O=C(N1CCCC[C@H]1CO)C1(B(O)O)CCC1	2247734214	GFGBDSOLIMWCDF-VIFPVBQESA-N	241.096	-0.243	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]1CF	2247735316	LOMFVZRAIJDUBA-ZETCQYMHSA-N	241.027	-0.548	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1occc1B(O)O	2247753276	DXDAMVVKWNTLMN-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1occc1B(O)O	2247754094	DXVIBWJNOLKBLR-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](O)[C@H]2C1)C1(B(O)O)CCC1	2247754335	FRJIXSCZKHYFIB-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]1CF	2247754443	DETWNSDJEQCMPY-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)CN1	2247758088	SPGOJMDNJRVNHB-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1CO)C1(B(O)O)CC1	2247758316	UVJJBUGJYOQLIC-RKDXNWHRSA-N	241.096	-0.482	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ncccc1B(O)O	2247771430	MAZSBZJZUGIPHV-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C1CCC1	2247775568	MZEYORWMYRKTLN-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
O=C(NCC[C@H]1CCCN1)[C@H]1C[C@@H](B(O)O)C1	2247790466	HQAWXUOTMIZXJH-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
CC[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2247796730	CCOXAUSHGNCLIH-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
CC(C)(N)CCCNC(=O)C1CC(B(O)O)C1	2247799563	FMYGGDFSZICLJE-UHFFFAOYSA-N	242.128	-0.127	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCO)C1CCCC1	2247800968	VOAORMCKYNBUIK-UWVGGRQHSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804516	HCFOFMDSJZGBDL-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
Cc1nccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247805925	LFGNVVIIXWGNGU-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
CN(C[C@H]1CCCN1C)C(=O)[C@H]1C[C@H]1B(O)O	2247808376	URBHOHPAHONCFB-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
CN(C[C@@H]1CCCNC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247808867	MWNXHNMLVIMYFL-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247851312	XYHRYQIOHIVRIE-VIFPVBQESA-N	236.080	-0.387	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H](C)C1	2247853124	GRHCMOIQNRNFMM-ZETCQYMHSA-N	237.064	-0.250	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cc1F	2247854378	BSANSAAJYRUHFY-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1occc1B(O)O	2247878313	NKHNXMMXXWGKOY-IONNQARKSA-N	235.048	-0.512	50	10	BBGE	
CCN(CC)C(=O)c1ncc(C)cc1B(O)O	2247891502	JYABSJQGEQUZPT-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248574673	UIURFAUSPDJIQG-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NCCC#CB(O)O)CO1	2250001273	UOIFCQXQFHEBTP-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	2252940161	XIVWWIZBPCNOKM-YUMQZZPRSA-N	237.259	-0.682	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@@H]2N1c1ncc(B(O)O)cn1	2254255742	BCVBSGTXORELAI-KKZNHRDASA-N	247.107	-0.076	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cc(B(O)O)oc1C	2255454614	QXANJOUCYSETQR-SECBINFHSA-N	247.059	-0.494	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)cc1F	2255498775	WCQHYNDAAWPHBC-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CC(C)=CCCNC(=O)c1cncc(B(O)O)c1	2255522845	PBVWCCGCMQIJMM-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCO)c1ccccc1	2255571272	NTKCKYICUJZLMS-WDEREUQCSA-N	249.075	-0.125	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2CCC1CC2	2255671637	UWNFYNKJXXYQPA-UHFFFAOYSA-N	248.091	-0.291	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1ccoc1B(O)O	2255677954	DJBGCUOCULWUTG-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255691392	NDFIIWJYNDKFHJ-QMMMGPOBSA-N	248.091	-0.193	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2C[C@@H]21	2255718676	DGQNABBULLDHKS-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(F)ccc1B(O)O	2255724599	PSXQRBJTUIKFKN-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(C)c(B(O)O)c1	2255736560	PNBVKNSGVQNEAD-NSHDSACASA-N	243.071	-0.477	50	10	BBGE	
Cc1ccn(NC(=O)c2cc(B(O)O)cn2C)c1	2255736746	SGFOGYBKAWSKHS-UHFFFAOYSA-N	247.063	-0.801	50	10	BBGE	
C#CCCC(=O)Nc1ccc(OC)cc1B(O)O	2256605282	JTXJKGOYZMXESQ-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
CC#CCC(=O)N[C@H](C)c1cccc(B(O)O)c1	2256672712	LZURHNRWQBMOMG-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165403	ZSJJLCRRYFKTBV-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@]12CCNC2	2298368828	ZVGTUQNONJDPJT-NGZCFLSTSA-N	238.096	-0.796	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298376684	IXBMBTGVDHRVQW-MSLAYNRJSA-N	240.112	-0.517	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2298397740	AZFAZMAECSPHHX-VWYCJHECSA-N	235.092	-0.104	50	10	BBGE	
CC(C)[C@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	2303097238	AHDWVJJKARWHOQ-VHSXEESVSA-N	242.128	-0.304	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2coc(B(O)O)c2)CC1(C)C	2314515376	ZREBBLXUZLONMT-VIFPVBQESA-N	247.059	-0.557	50	10	BBGE	
C[C@@H](CCN)N(C)c1ccc(B(O)O)cc1C#N	2317156900	XDJNTPDSUOTYKM-VIFPVBQESA-N	247.107	-0.588	50	10	BBGE	
N[C@@H](CSSC[C@@H](O)C(=O)O)C(=O)O	3650138	MAFDYIDMXCXBRB-IUYQGCFVSA-N	241.290	-0.775	50	10	BBGE	endogenous,in-man
C[C@H](N)C(=O)NNC(=O)c1cccnc1	49814177	KCLHFXPPQHUHPY-LURJTMIESA-N	208.221	-0.810	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)CC(=O)OC	50066119	AQAVMAKBBZJLJT-UHFFFAOYSA-N	245.279	-0.961	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1COc2ccccc2C1	70488712	XMTZJCJVYXSGCN-QMMMGPOBSA-N	235.243	-0.063	50	10	BBGE	
CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C(=O)NN	82528100	AUGDGKLCCMBSFJ-DJLDLDEBSA-N	225.292	-0.129	50	10	BBGE	
Cc1cccc2c1N(CCC(=O)NN)C(=O)C2=O	111611332	HSTSSKFEZJKBSF-UHFFFAOYSA-N	247.254	-0.096	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@@H](O)CC[C@H]2C1)C(=O)NN	156623599	XDYVXNWNVQOZLQ-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
OCCn1ccc2cc(O)c(B(O)O)cc21	204468927	RULWYCAHEODEMW-UHFFFAOYSA-N	221.021	-0.981	50	10	BBGE	
Cc1nc2nncn2c(C)c1CC(=O)NN	212662889	YRYDMYDOKLPJAL-UHFFFAOYSA-N	220.236	-0.726	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](N(C)C)[C@H](C)C1	227251609	QUUJRYIKEALMPD-LMLFDSFASA-N	242.367	-0.117	50	10	BBGE	
COCCOc1cc(B(O)O)ccc1F	229336706	WUXZPQNIJPUCGX-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
CCS(=O)(=O)NC[C@@H](Cl)C(=O)OC	233814558	WUKUOTXTYJJBJE-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
OB(O)c1cncc(OCc2cncc(F)c2)c1	236419141	CAVIOHFBLYBTJU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)[C@H]1CCOC1	250362749	FAOCZQVASNVQKJ-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C1	300046134	QPGCKFGVXISTGP-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@](C)(C(N)=O)C1	300534375	VZFLXLNKONOTSY-KWQFWETISA-N	242.323	-0.658	50	10	BBGE	
NC(=O)C1(O)CCN(CCCl)CC1	306375847	YMZAAOODNRNHHE-UHFFFAOYSA-N	206.673	-0.463	50	10	BBGE	
NC(=O)NNC(=O)N[C@H]1CCSC1	306451967	WZWJHBAAVGCGKS-BYPYZUCNSA-N	204.255	-0.626	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COC[C@@H]1Br	306501145	QZVHTOGYIFPVIO-CRCLSJGQSA-N	244.110	-0.302	50	10	BBGE	
Nc1c(B(O)O)cc(N)c2sccc12	307104251	HVICPVIFIHFCMN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CC(=O)NNC(=O)N[C@H]1CCSC1	307577148	LJSDGCFRMOHINP-LURJTMIESA-N	203.267	-0.158	50	10	BBGE	
Nc1cccc([N+](=O)[O-])c1C(=O)NNC=O	309647205	WLLFOYGRSSXMEG-UHFFFAOYSA-N	224.176	-0.432	50	10	BBGE	
Cc1nc(C)n(Cc2cc(B(O)O)ccc2C)n1	314303568	ZDBKZYIPQIROQC-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
Cc1ccc(CNC(=O)C(=O)NN)nc1C	314353746	WNGYFSGKWCHNCE-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H](C)C(C)(C)O	382990759	WXSNATJZTAEFGE-YUMQZZPRSA-N	217.313	-0.154	50	10	BBGE	
COc1cc(B(O)O)cc(-c2cnn(C)c2)c1	385669203	PJSUXYNPEKBGMN-UHFFFAOYSA-N	232.048	-0.225	50	10	BBGE	
N[C@H]1C[C@@H]1NC(=O)c1cnn(CCCl)c1	390117667	DBGLVJXOVWRHHI-YUMQZZPRSA-N	228.683	-0.049	50	10	BBGE	
O=C1CC[C@@H](c2cccc(B(O)O)c2)CN1	394580004	UVWBFTKDZKSSIL-SECBINFHSA-N	219.049	-0.640	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1F	396043257	UYAVATRLCLZWAH-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
Nc1cc2sc(C=O)cc2cc1B(O)O	396277053	RXSKTWMUFUQAIT-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1CC[C@@H](N=C=O)CN1S(=O)(=O)N(C)C	397118554	YTOYCCKVZTXIHI-DTWKUNHWSA-N	247.320	-0.019	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CC)[C@@H](O)C1	399926785	RDYQONMPJAFYNM-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
O=C(C[C@H]1CCCO1)Nc1ccccc1B(O)O	404952071	SXHKYCHDTRLGII-SECBINFHSA-N	249.075	-0.126	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1cn[nH]c1	405036959	SYUCADSWBGKEEY-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(B(O)O)cc1C	405169794	RZKYTRWTDWSCIW-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2CCC[C@H]21	584949583	NFWFBYQPBNWKTF-ZYHUDNBSSA-N	245.087	-0.009	50	10	BBGE	
CNC(=O)c1cccnc1N1CC[C@@H](B(O)O)C1	585073475	LTUOKDLQHPZUOC-MRVPVSSYSA-N	249.079	-0.506	50	10	BBGE	
CN(C)C(=O)CCN1CCC(O)(C#N)CC1	692092295	YICRTJXGZDEYTK-UHFFFAOYSA-N	225.292	-0.185	50	10	BBGE	
N#CC1(O)CCN(C(=O)/C=C\C(=O)O)CC1	692137070	YFWMYHZFSVJNDR-UPHRSURJSA-N	224.216	-0.496	50	10	BBGE	
CCN([C@H]1CCN(C)C1)[C@H](COC)C(=O)NN	693435102	FKFFGZSBVIOLMJ-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)C[C@@H]1CO	698217191	WQJJNJPTUSOSSY-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1CC12CC2	705174133	OBAMLWJFOGZKMH-SNVBAGLBSA-N	245.087	-0.217	50	10	BBGE	
COc1cccc(NC(=O)C(=O)NN)n1	705877490	ITPZGZBCCBTAOJ-UHFFFAOYSA-N	210.193	-0.981	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCC[C@H]1O	708051591	QLCPQYFRYYPDFP-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CCOC[C@H]1CCN([C@H](C)C(=O)NN)C1	708273196	NOLLVXQHRFIGKO-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
OB(O)c1cccc(OCC23CC(CO2)C3)c1	716092881	BJXPZQDUXHCHKL-UHFFFAOYSA-N	234.060	-0.076	50	10	BBGE	
C[C@@H](CN(C)Cc1ncccn1)C(=O)NN	718909449	KWKJIOHCNPKSOH-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(N)=O)C[C@@H](C)O1	724389700	JZASLDWBOBPJQB-ZMONIFLSSA-N	215.253	-0.111	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccon1	1472178747	DVGCADFXHPHTDP-UHFFFAOYSA-N	223.148	-0.868	50	10	BBGE	
O=C(C[C@@H]1CCOC1)NNC(=O)c1ncon1	1539051637	ZUKQDYJWVMTIJZ-LURJTMIESA-N	240.219	-0.743	50	10	BBGE	
CCC[C@@H](OC)C(=O)NNC(=O)c1cnn[nH]1	1543026914	LPRNTQUWTNDFQR-SSDOTTSWSA-N	241.251	-0.619	50	10	BBGE	
O=C(CO)NNc1cc(Br)ncn1	1594711962	XXPUKCCMKBRDGP-UHFFFAOYSA-N	247.052	-0.326	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NOCCO)cn1	1634570937	FAISQEKWTVLTBB-RUDMXATFSA-N	236.231	-0.633	50	10	BBGE	
C/C=C(\CC)C(=O)NNC(=O)[C@@H]1COCCO1	1772929976	WWZZEEMFWXGCFI-IPQKIJNHSA-N	242.275	-0.095	50	10	BBGE	
CCC(CC)C(=O)NN(CC(=O)O)CC(=O)O	1858081356	GMCCSAJRUDHWNS-UHFFFAOYSA-N	246.263	-0.075	50	10	BBGE	
NCC1(C(=O)CBr)COC1	1880063674	IFEQRFGSCISIHJ-UHFFFAOYSA-N	208.055	-0.074	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)CCCl	1882409695	WFBVHEAZGXPBQJ-LYFYHCNISA-N	227.713	-0.086	50	10	BBGE	
NNC(=O)C(F)(F)OC(CF)CF	1882526657	VFFOZFPFEOTLQE-UHFFFAOYSA-N	204.123	-0.107	50	10	BBGE	
CON(C)C[C@H]1CC[C@@H](C(=O)NN)C1	1885658445	FZTITURSBGKLPJ-JGVFFNPUSA-N	201.270	-0.114	50	10	BBGE	
OB(O)c1cnc(OCCF)c(F)c1	1886033950	TUFBOHGRTZVTBN-UHFFFAOYSA-N	202.953	-0.751	50	10	BBGE	
C[C@H](C(=O)NCC(Cl)Cl)N1CC(N)C1	1887433951	SEUOOAMNQIIAEQ-RXMQYKEDSA-N	240.134	-0.062	50	10	BBGE	
C[C@@H](CN(CCF)CCF)C(=O)NN	1888846273	VCWQQDYPQYFNEC-ZETCQYMHSA-N	209.240	-0.147	50	10	BBGE	
NC(=O)[C@@H]1CN(C(=O)CCl)CC12CC2	1892602497	FWSVEXDVJDYRPD-LURJTMIESA-N	216.668	-0.051	50	10	BBGE	
C[C@@H]1C(=O)N([C@@H](C)CC(=O)NN)C(=O)[C@@H]1C	1894135943	CZCCHRVROFXQOU-LYFYHCNISA-N	227.264	-0.604	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2COC[C@H]21	1897312277	TUAOFWBMHJBGTG-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1COC2(CCC2)CO1	1901046894	ZXSMYJLWAVLQRC-ZCFIWIBFSA-N	245.304	-0.811	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@]12CC[C@@H]2N)S(C)(=O)=O	1901375576	NSSOUWDAHZNPNV-ZKWXMUAHSA-N	247.320	-0.964	50	10	BBGE	
C[C@H](COC[C@]1(C)COCCO1)C(=O)NN	1901441058	OMASFBSMFYJBBO-SCZZXKLOSA-N	232.280	-0.566	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	1902137311	FRACWQBKMIYUDQ-HRDYMLBCSA-N	229.085	-0.675	50	10	BBGE	
CC12CC(C1)N(Cc1nc(B(O)O)cs1)C2	1902638418	ASOVYCTWGJJKPX-UHFFFAOYSA-N	238.121	-0.193	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H](C)N	1903023089	INISFGMFYQEMLJ-RITPCOANSA-N	228.032	-0.985	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H](C2)[C@@H]1CO	1907936269	PHMSIGVYZSLYNC-MFDAYCCISA-N	239.319	-0.542	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)C1CC(O)C1	1914577348	ZNJHMDKDKHZOAJ-UHFFFAOYSA-N	239.275	-0.162	50	10	BBGE	
COc1ccc(B(O)O)c(CN(C)CCF)c1	1917267601	ARSAWGVAUBKIKG-UHFFFAOYSA-N	241.071	-0.224	50	10	BBGE	
CC(=O)N1CC(NC(=O)NC(=O)[C@@H](C)Cl)C1	1926318470	GVEBWPVPQZGNPK-RXMQYKEDSA-N	247.682	-0.330	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC[C@@H]1C	1929659141	JGFRRPSXHUYCBU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H]1CO	1929740561	JUUMLMOFKXBOLK-BDAKNGLRSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC(=O)NN)C[C@@H](C)O1	1929910913	PZBSMKDEPRTZCM-BRPSZJMVSA-N	215.297	-0.136	50	10	BBGE	
CO[C@@H]1CCCN(CCC(=O)NN)[C@@H]1C	1934287091	NXBATFSXZLBFKR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccc([N+](=O)[O-])n1	1936081657	AIXHXAJCRZPACU-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)Cn2cnnc2)C1	1937194490	RHOXTQFVMSHURQ-YUMQZZPRSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H](CCF)C1	1941086021	PKGUNLRPOXLPOZ-KXUCPTDWSA-N	245.298	-0.327	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)CCN1C	1941783889	FWGRPJZAHNLTSO-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)[C@@H]1C(N)=O	1942616100	NIPSVKDJQUENFL-WPRPVWTQSA-N	242.323	-0.658	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1	1951321841	JESQOZKIDXNZAF-BDAKNGLRSA-N	227.069	-0.513	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cnc2ccnn2c1	1953037972	ISEHYTFUTJCLJA-APPZFPTMSA-N	203.205	-0.386	50	10	BBGE	
O=C(CCl)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1954933023	QRALEMDTTCUWDY-QYHOXRSDSA-N	219.668	-0.528	50	10	BBGE	
O[C@H](CCl)CN1CC(n2ccnn2)C1	1956762088	YAUYYUDDHNEOIK-MRVPVSSYSA-N	216.672	-0.266	50	10	BBGE	
C[C@@H]1CC[C@@H]([C@H](N)C(=O)NN(C)C)O1	1956967200	CRPGBNLTWHZOSD-CSMHCCOUSA-N	201.270	-0.526	50	10	BBGE	
C[C@H](Cl)CC(=O)N(C)CCS(N)(=O)=O	1957317143	GWLRMKIUVXYGOP-LURJTMIESA-N	242.728	-0.249	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCCS(N)(=O)=O	1957317977	KYKYDFALTVZIKR-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
N#CCCN(CC(=O)NN)CC1CCC1	1961266059	XIZFFMMLSXPUNV-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
NNC(=O)N1CCC(n2cncn2)CC1	1961314844	HIANFYHMQNSJBA-UHFFFAOYSA-N	210.241	-0.502	50	10	BBGE	
CCN(CC)c1ncc(B(O)O)cc1F	1961719042	XDFDHIYNAUHNHK-UHFFFAOYSA-N	212.033	-0.253	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961926985	PNMNUTKRNFGIJW-ODXREFDESA-N	233.695	-0.042	50	10	BBGE	
CN(C[C@@H]1CCc2nccn2C1)C(=O)NN	1976567955	PRVRQAUHLSQVKD-QMMMGPOBSA-N	223.280	-0.039	50	10	BBGE	
CN(CC(=O)NN)C1(CO)CC2(CCC2)C1	1978671970	VIQUEODLDSQNFM-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@@H](C)C(=O)NN)C1	1979300812	WFUUERHFVVZEHG-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)c1ncc[nH]c1=O	1979658455	SDMFAWOLVVAUMZ-RITPCOANSA-N	243.650	-0.494	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@H]3CC[C@H]2O3)n1	1980055568	HCLZESLJDCKDRI-IWSPIJDZSA-N	222.053	-0.870	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1[C@H](C)C(=O)NN	1980303415	XERRGKAUONVKEF-NKWVEPMBSA-N	223.280	-0.325	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)CC12CC2	1980718692	MBYUXNNTIFHMDV-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2C[C@H]2C)n1	1981425853	KXHUFVBDRDTPNN-XRGYYRRGSA-N	222.053	-0.440	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H](F)C1	1981469514	UFFZFLYSJZXQDZ-VIFPVBQESA-N	224.044	-0.382	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@H]21	1983237792	DESBDQPHCPIYDQ-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccn2)cn1	1983346674	JDJBURUTUXMNMW-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H]1CF	1988722707	GJRJKTQSCIMOJF-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1989120351	YGMASWYOSGRPNR-RKDXNWHRSA-N	229.324	-0.154	50	10	BBGE	
COCCN(C1COC1)[C@@H](C)CC(=O)NN	1990122848	CNTZSUUICBNKBR-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CO[C@H](C)C(=O)CN1CCC(O)(C#N)CC1	1990976226	BTWUIZPVKNDIDL-SECBINFHSA-N	226.276	-0.059	50	10	BBGE	
O=C1N[C@H](C2CNC2)C(=O)N1C[C@H]1C[C@H]1Cl	1991443693	WRHPJAJNGLIAOB-LPBLVHEISA-N	243.694	-0.247	50	10	BBGE	
C=C(CN1CC[C@@H]([C@@H]2CCOC2)C1)B(O)O	1992144697	CMKJJJJASARTCX-GHMZBOCLSA-N	225.097	-0.087	50	10	BBGE	
C[C@@H]1CCCC[C@H]1C(=O)NCC#CB(O)O	1992153950	UEAFMQPEVDSKGI-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN(C)[C@H](C)CCS(C)(=O)=O)B(O)O	1992160512	XJMIAZSWCLLQEL-SECBINFHSA-N	249.141	-0.690	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN[C@@H](C)C[C@@H]1C	2000483627	AKVZMAMFDJTDNE-IUCAKERBSA-N	242.323	-0.774	50	10	BBGE	
COCCN(C)Cc1nn(C)cc1C(=O)NN	2003505675	GFLXCTKVSHXSKM-UHFFFAOYSA-N	241.295	-0.898	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2c1ncncc1B(O)O	2004921642	YFLJMIBUMGLVCW-LDYMZIIASA-N	233.080	-0.465	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@H](C)C2)n1	2005015182	XDBRUUXKYZINNV-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
COc1ccnc(Cn2cc(B(O)O)cn2)c1	2005292661	HTBWDMDBFYYCJP-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CN(C)CCCOC[C@H]1CC[C@H](C(=O)NN)O1	2007031999	VJOXSADDGBZYTB-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975642	RRLRQGOWVCXYQL-AJBSGBCOSA-N	241.335	-0.154	50	10	BBGE	
CC1(O)CC2(CN(C[C@@H]3C[C@@H]3C(=O)NN)C2)C1	2011899465	DDHHSXXUIDRXKP-IUCAKERBSA-N	239.319	-0.541	50	10	BBGE	
COCCCCOc1ncc(B(O)O)c(C)n1	2014223173	FREJEYYOQPZLCW-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@H]3CC[C@@H]32)CC1	2015991293	VLHNIOFUSNAPNA-GUBZILKMSA-N	239.319	-0.398	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)C(=O)C(=O)NN)[C@H]2C1	2016125354	GSDSYOMUNQTCCT-LURQLKTLSA-N	241.291	-0.752	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc(O)ccc1F	2020062554	SFHQKBKMTLPZCM-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
CCn1cc(COc2cccc(B(O)O)c2)nn1	2027144731	LKHXHWQFJSPDGD-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@@H]1CO)c1ccccc1	2031686805	PPXBNRYRYJQLBZ-VXGBXAGGSA-N	249.314	-0.173	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2OCC[C@H]2C1	2052491093	IQFPGFAZBAXNGX-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccncc1B(O)O	2054283461	UGHXFAFDBKKZBK-OWUUHHOZSA-N	248.091	-0.910	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@](O)(c2ccccc2)C1	2057333977	UMCRUFANELKLDO-LBPRGKRZSA-N	249.270	-0.904	50	10	BBGE	
CCc1c(C=O)ccc([N+](=O)[O-])c1B(O)O	2060035158	CKPCDTOYCAJYSB-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@]2(C)C[C@H]12	2065690872	BYIFODVTUINHKC-HLUHBDAQSA-N	247.107	-0.219	50	10	BBGE	
O=C(CCl)N1C[C@H](CO)C[C@@H](CO)C1	2209869183	ZNHRWYBBDNBPSJ-HTQZYQBOSA-N	221.684	-0.326	50	10	BBGE	
CCC1(F)CN(Cc2nscc2B(O)O)C1	2211134785	CDXYNWBPCCZUNN-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
CCC1(O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211839054	PFSJMEANKGGBRK-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](OC(F)(F)F)C1	2212369623	AAKKYKOQXHLNEN-PHDIDXHHSA-N	241.213	-0.025	50	10	BBGE	
C#C[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612212	IGRHBKLGCCPFAV-SECBINFHSA-N	216.049	-0.779	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CCCC1	2212717338	QDPQQLHKZLYRLX-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
N#Cc1cnn(Cc2cccc(B(O)O)c2)c1	2214597738	ZCWFVLFJFPXMON-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
CCCN(CCN)Cc1cccc(B(O)O)c1	2214606680	ZOWQOWVANCFMJE-UHFFFAOYSA-N	236.124	-0.463	50	10	BBGE	
CCCCOCCNc1cc(B(O)O)ccn1	2217176634	YVHZRDLONITDAL-UHFFFAOYSA-N	238.096	-0.010	50	10	BBGE	
OCC[C@@H](Nc1ccc(B(O)O)cn1)C(F)F	2217177779	NAMSEDCKZRVGGZ-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CO1	2217178538	XIYIOFSBVGLQTQ-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1c1cc(B(O)O)ccn1	2217178803	AZAIEFMNJPHISH-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
C[C@](O)(CNc1cc(B(O)O)ccn1)C(F)F	2217180821	LCPLQOULQMYECM-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
CNC(C)(C)CNc1cc(B(O)O)c(C)cn1	2217182570	FJIUKMSSUWKANG-UHFFFAOYSA-N	237.112	-0.520	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)CC[C@@H](N)C1	2217184007	PMLONZPHCYFJPD-MWLCHTKSSA-N	236.080	-0.590	50	10	BBGE	
Cc1cnc(N[C@H](C)C2CNC2)cc1B(O)O	2217184253	REZFABVYIURRFU-MRVPVSSYSA-N	235.096	-0.910	50	10	BBGE	
NC[C@H](Oc1ccc(B(O)O)cn1)C(F)(F)F	2217188302	MEQKYLBQACQBOH-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
CNC1(COc2nccc(B(O)O)c2F)CC1	2217192977	QUWVQUKJGURMAX-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@]12CC2(F)F	2217200451	TXMDSZWABFIBAN-VXNVDRBHSA-N	240.018	-0.029	50	10	BBGE	
N[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CC1	2217201699	ZMCXLHFHXZSRBG-MGCOHNPYSA-N	235.096	-0.557	50	10	BBGE	
C[C@]1(F)C[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2217202199	UXHIODHKVCKPOK-GVJMRKKJSA-N	239.059	-0.872	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220062313	GVWHCMFGRHNYCQ-PWSUYJOCSA-N	248.135	-0.465	50	10	BBGE	
C[C@@H]1NCCN(Cc2cccc(B(O)O)c2)[C@H]1C	2220065446	ZLZSMXYYUVXKAL-QWRGUYRKSA-N	248.135	-0.451	50	10	BBGE	
Cc1cnc(NC2(CN(C)C)CC2)cc1B(O)O	2223646719	ONEAJFQNFIHOPX-UHFFFAOYSA-N	249.123	-0.424	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCSC1	2241475856	GYFHOUYSYJVDJP-SSDOTTSWSA-N	213.067	-0.986	50	10	BBGE	
CONC(=O)c1cc(C)sc1B(O)O	2241496344	ROGOXDUDZLHVRK-UHFFFAOYSA-N	215.039	-0.972	50	10	BBGE	
O=C(NO)c1cccc(Cl)c1B(O)O	2241585071	XWMCFGZUJHZFDY-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
CC1(OC[C@H]2C[C@H]2C(=O)NN)COC1	2242118075	MTAAZDXEJWOZGV-RNFRBKRXSA-N	200.238	-0.582	50	10	BBGE	
CN1C(=O)[C@H](F)C(=O)N(C[C@@H](Cl)C#N)C1=O	2243050352	FEJLUZKWDVYTKK-WHFBIAKZSA-N	247.613	-0.124	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1nscc1B(O)O	2243346574	AUHXDBLILJSDIB-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
C[C@@H](O)C1CN(C(=O)C2(B(O)O)CCC2)C1	2243346576	AUKXZLXGBCHULO-SSDOTTSWSA-N	227.069	-0.777	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243348444	XQTLZJOUQRQGSO-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
NC(=O)c1ccc2cc(B(O)O)ccc2c1	2243349286	IZGMVUVHTBFIIN-UHFFFAOYSA-N	215.017	-0.382	50	10	BBGE	
C=CCCCNC(=O)c1ncsc1B(O)O	2243358269	DWDWEITYUMYVNU-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccsc1B(O)O	2243359992	ZKZGWVPIUAWHPO-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C(F)F	2243362658	UPICZEHBXVHFTD-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
C[C@@H]1COCC[C@H]1NC(=O)C1(B(O)O)CC1	2243363023	ADDITSUTCMQFJV-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1	2243365851	TWCXSOOETMHWRR-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
CCN(CCF)C(=O)c1sccc1B(O)O	2243376537	LMLSUDIBCLWZNP-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1CC(N)C1	2243380934	ARABLZMOIAYNFH-UHFFFAOYSA-N	226.085	-0.813	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1cc(B(O)O)cs1	2243385894	QKTIJWXWRIBJCK-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccoc1B(O)O	2243400023	UTNMIIHJUKDCOD-ZETCQYMHSA-N	223.037	-0.512	50	10	BBGE	
O=C(C#CB(O)O)NCCC[C@H]1CC1(F)F	2243401276	OTUNBQLTHPQNJA-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2243409981	SKAVRCVDRQWXEW-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]2C1)B(O)O	2243412603	PZOYWQDOENSECC-DTORHVGOSA-N	245.109	-0.774	50	10	BBGE	
NNC(=O)C(F)(F)CCO[C@H]1C=CCOC1	2244132698	ROYMZYGAVIDXLM-ZETCQYMHSA-N	236.218	-0.027	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2COC[C@H]1C2	2244497571	KBNYXAVKZRRIDX-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
O=C(NCCC#CB(O)O)C(F)(F)C(F)F	2244548682	SPNVPAQYTMSMTO-UHFFFAOYSA-N	240.949	-0.592	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(C)(C)C2)n1	2247152676	LPAOYQQZCMKYDM-UHFFFAOYSA-N	236.080	-0.384	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1coc(B(O)O)c1	2247733686	CXHDUXCEVGVYPL-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCCOCC1	2247737090	CJDIFOMBZZCKRE-SNVBAGLBSA-N	239.080	-0.675	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1F	2247744413	SHPRIDZVKUORPI-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)CC1	2247750741	NNXYOXIGBONOPH-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
O=C(NCCF)c1cc(B(O)O)cn1C1CC1	2247759900	YKVJMDNSWIVZJI-UHFFFAOYSA-N	240.043	-0.798	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1c(F)cccc1B(O)O	2247760516	JIQHXSBSMZTTJI-SFYZADRCSA-N	241.002	-0.654	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2247790103	FQNBPFGDZLZLCY-HACHORDNSA-N	241.096	-0.389	50	10	BBGE	
CCc1ncc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247790203	FZYMBXZYQTXWRL-SFYZADRCSA-N	237.068	-0.549	50	10	BBGE	
C[C@@H]1COCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791243	MBWPWTPEYZPBQU-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2(CC1)COC2	2247796507	AEVDIVWJMISIRV-RKDXNWHRSA-N	239.080	-0.512	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCNC1	2247797107	GFQSBLQCURUZPE-NGZCFLSTSA-N	240.112	-0.645	50	10	BBGE	
CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2247798475	UMNGSUHNTCCBKZ-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247800889	URBNIQVWIULPDQ-LPEHRKFASA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H](C)O1	2247803644	CCDDGWJVWDDZER-IGORNWKESA-N	241.096	-0.079	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC12CCOCC2	2247803856	DGLVZFCNACKVKB-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
CC1(C)CCOCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247803881	DMXIABQCROBRPD-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2247807374	HSSOIAHJWABBDT-QCBRBAQYSA-N	239.080	-0.656	50	10	BBGE	
CC(C)(C)C[C@@H](CO)CNC(=O)C#CB(O)O	2247849892	GQIRDZPFJLVOPP-SECBINFHSA-N	241.096	-0.837	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850821	UDPYVXRQYQMTKF-YUMQZZPRSA-N	236.080	-0.530	50	10	BBGE	
Cc1cnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247852059	OGJCKSUSXYDBGH-BDAKNGLRSA-N	235.052	-0.736	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=C[C@@H]1CF	2247853746	QRXCZVUHBYVCMD-MRVPVSSYSA-N	239.011	-0.691	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	2247859018	JNYCOZASJJRVPX-SOYHJAILSA-N	239.080	-0.636	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247860233	UDAMAGJQZHGGLX-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)C1(B(O)O)CCC1	2247877252	DZMHLBDYOPLWFR-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
O=C(N1C[C@H](O)CC2(CC2)C1)C1(B(O)O)CC1	2247877770	JZGDNBHDPAELPP-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
CCn1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247894981	MWHXFLVGRLODQH-RKDXNWHRSA-N	237.068	-0.618	50	10	BBGE	
C[C@@H]1CNCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904631	QUFSCXYIBZTHKY-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305258	HIOVZIIIBLTRFJ-PSASIEDQSA-N	242.323	-0.659	50	10	BBGE	
CC[C@H]1c2cccn2CCN1C(=O)C#CB(O)O	2255466766	DJWRKPDGZMOOCO-JTQLQIEISA-N	246.075	-0.203	50	10	BBGE	
O=C(NCCn1cccc1)c1occc1B(O)O	2255488872	KXBGXXCQCYLMNM-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ncncc1B(O)O	2255504311	LXJDYCSXLHKOKY-OCAPTIKFSA-N	249.079	-0.831	50	10	BBGE	
CC[C@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255520947	QKJJBEDDJCDSJS-JTQLQIEISA-N	248.091	-0.320	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)c[nH]1	2255671749	WKQJRGPEXCDWFH-UFBFGSQYSA-N	248.091	-0.291	50	10	BBGE	
Cc1cc(CN(C)C(=O)C#CB(O)O)nnc1C	2255672744	LMYILSRNTYIJBB-UHFFFAOYSA-N	247.063	-0.933	50	10	BBGE	
O=C(C#CB(O)O)N1CCOC[C@@H]1c1ccco1	2255678836	DRLKZILXMRGAEO-SECBINFHSA-N	249.031	-0.805	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1coc(B(O)O)c1	2255719939	JOUVSAUEHXZKSD-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc(B(O)O)co1	2258128471	QQKOZQKCMSXBMP-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCCc1ccco1)c1cc(B(O)O)co1	2258138151	GNODIMOTDLSUNN-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2260395571	UOSVSYMKGWNRJU-CHWSQXEVSA-N	249.119	-0.288	50	10	BBGE	
O=C1N[C@H]2CN(C[C@@H](O)CCl)C[C@H]2O1	2297048773	YPPOHLCIBZNJPV-LYFYHCNISA-N	220.656	-0.621	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CC[C@H]1O	2298165456	CHUMLDDJGSLQDS-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371675	ROALFOVKASTVRV-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCn1cccnc1=O	2300382546	HJTAWZIHGGIDSB-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCNC(=O)[C@@H]1C	2302061573	TWKHIIMCNXXYOZ-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303107746	BYPFCLIOLOQXSD-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](Cn3ccc(B(O)O)n3)(C2)O1	2303263817	AWTRPUUEGNMYAK-ATZCPNFKSA-N	236.080	-0.480	50	10	BBGE	
Cc1ncc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)o1	2303294914	RRCPYASPPJYHHO-IUCAKERBSA-N	238.052	-0.196	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1csc(C)c1B(O)O	2303628715	ZGTUPSHJAXKTRD-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2303763919	ZCSCXGRKPMYRTP-HTQZYQBOSA-N	241.096	-0.077	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)c(F)cn2)CCNC1	2303835322	VHNUZAYORKGLPI-JTQLQIEISA-N	239.059	-0.936	50	10	BBGE	
CC[C@@H](CNC)Oc1ccc(B(O)O)cc1C#N	2317161938	PBSRIEQJKXZNTO-NSHDSACASA-N	248.091	-0.385	50	10	BBGE	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)NN)[C@@H]1C	36948206	QBAVTQQDTHFJNS-BWZBUEFSSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCCC(N)=O	37660801	AENGZWSFUBISBI-YFKPBYRVSA-N	235.671	-0.295	50	10	BBGE	
CNC(=O)CN(C)CCCCCC(=O)NN	70596850	YILGLPNBDAINOS-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
NC(=O)C[C@@H](NC(=O)CCCl)C(=O)O	82257486	UCCHWNARYQFUET-SCSAIBSYSA-N	222.628	-0.940	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1CCO	82466496	JENPWCGUZDLWIG-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)(CN1CC[C@H](O)C1)C(=O)NN	86597811	GFKRZIQSIKYHKM-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
N#C/C(=C/C=C\c1cc(C(N)=O)c(N)o1)C(N)=O	108805380	KEJGKXAWTFKPKI-SJDXMKNESA-N	246.226	-0.091	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@H]2CO)o1	110591819	IHWHNXFEVCIRRF-QMMMGPOBSA-N	239.275	-0.160	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1CCCCC(=O)NN	110689189	LHWKCOJNTHGIMG-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC(C)(C)OCC(=O)NNC(N)=S	159141069	ZHODDFULCQYWHX-UHFFFAOYSA-N	205.283	-0.334	50	10	BBGE	
O=C(NCCOCCO)OCCCl	170276861	JPZDIPANMXGIQQ-UHFFFAOYSA-N	211.645	-0.040	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)c1ccccc1	184821932	VCMILFCBUZQHGJ-UHFFFAOYSA-N	235.243	-0.416	50	10	BBGE	
CCO[C@@H]1CCCN([C@@H](COC)C(=O)NN)C1	232420147	ISYJEWDQUTXBIY-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H](SC1COC1)C(=O)NN	232421765	NONLEZQSVPTRQO-ZCFIWIBFSA-N	206.267	-0.877	50	10	BBGE	
C[C@@H](O)C1CCN([C@H](C)C(=O)NN)CC1	235248682	DVHMFWGICXWZDY-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)C[C@H]1C(=O)N2CCNC2=C1C=O	259834935	XVOVJNPTJLWDPR-ZCFIWIBFSA-N	224.216	-0.978	50	10	BBGE	
CC(C)S(=O)(=O)C1=NC(C#N)=CS1(=O)=O	260104603	PECMWYCWMBWOQK-UHFFFAOYSA-N	248.285	-0.041	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)[C@H]1CCCO1	293985274	RDSCEJLSUSCYPD-LDYMZIIASA-N	242.275	-0.360	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)C[C@H]1C	302301035	FDRBOOQIAAJUKS-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
Nc1c(B(O)O)ccc2c(O)csc12	306663410	VLUFXOKQKHBLRC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1c(O)c(O)cc2sccc12	306879984	GVRXWCQGGSCKGX-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
ClCc1nnnn1C1COCCOC1	307634861	UHFCAPHIPDFRDE-UHFFFAOYSA-N	218.644	0.000	50	10	BBGE	
CN(c1nnc(CCl)o1)C(CO)CO	308523565	ZNYSORLFMOVASC-UHFFFAOYSA-N	221.644	-0.402	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)C1(C)C)C(=O)NN	308847973	PZWBUKNYRDVECY-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1	309830589	CJOQWMANXBKNJM-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
CCC(=O)c1c(CC(=O)O)cccc1B(O)O	396131473	DMAZBJCBQSBHBR-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NN)N(C(=O)C2CC2)C1	399865300	WBWUAINSWAXZFP-JGVFFNPUSA-N	227.264	-0.998	50	10	BBGE	
CCC1(C(=O)Nc2ncc(B(O)O)s2)CC1	405068129	XGZQFZQNUCSLAD-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@H]1CCCS1	491672521	HINOMTAAZIYLMO-SSDOTTSWSA-N	227.289	-0.154	50	10	BBGE	
O=S(=O)(CCl)N1CC2(COC2)C1	575453039	LQORXUGYMLZQJC-UHFFFAOYSA-N	211.670	-0.155	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C[C@@H](C)CO	688402382	OZZWNZYEKMHOSI-NXEZZACHSA-N	231.340	-0.049	50	10	BBGE	
Cc1ncc(CN(C)C[C@H](C)C(=O)NN)n1C	689556333	LJUCJEBACBDPEC-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cn(C)nn1	690440005	OITXQJCFCAHXTP-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
COC(C)(C)C[C@@H](N)C(=O)NN(C)C	690768363	YMGIJOUTSXININ-SSDOTTSWSA-N	203.286	-0.278	50	10	BBGE	
Cc1nccnc1CN(C)[C@H](C)CC(=O)NN	700076914	CKJJXJWJAXKYHK-MRVPVSSYSA-N	237.307	-0.015	50	10	BBGE	
CC(=O)Nc1ccc(C(=O)NNC(N)=O)cc1	700869550	LCIGYYLANXOCGQ-UHFFFAOYSA-N	236.231	-0.042	50	10	BBGE	
CSSCCNC(=O)C[C@@H](O)CN	705634499	VQUGMCWOELAYMF-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
CN(CC1CC2(CSC2)C1)C(=O)C(=O)NN	718294775	NRNKLQOHXNRIIH-UHFFFAOYSA-N	243.332	-0.422	50	10	BBGE	
Cc1conc1C(=O)Nc1cc(B(O)O)ccn1	720531418	NEQMIFVEQVUWBG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(C)CC(=O)NNC(=O)Cc1ccccn1	729536401	XYMHBYAEPBIZDJ-UHFFFAOYSA-N	236.275	-0.667	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)nn1	855188242	DQSZQAKRNWRDPO-QMSLJYSESA-N	249.274	-0.378	50	10	BBGE	
COc1cc(NC(=O)NNC(=O)C2CC2)[nH]n1	861382114	IAFLCZFUKUKLKG-UHFFFAOYSA-N	239.235	-0.019	50	10	BBGE	
OB(O)c1ccc(CNCC2CSC2)cc1	895423812	WJHAWECNFSDSQR-UHFFFAOYSA-N	237.133	-0.181	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C1CC1	906395424	TUBMLJHSYANFTD-SFYZADRCSA-N	227.264	-0.238	50	10	BBGE	
O=C(NNc1ncccn1)c1nsnc1O	1141444975	DYWHKVQBQRMKCM-UHFFFAOYSA-N	238.232	-0.209	50	10	BBGE	
C[C@@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	1290713245	YUAWRGNGUUODDQ-YCFDNDNXSA-N	234.259	-0.176	50	10	BBGE	
C[C@H](CC(=O)NN(C)C(N)=O)c1cnn(C)c1	1295201023	JBLLWDJDMWUCEK-SSDOTTSWSA-N	239.279	-0.045	50	10	BBGE	
O=C(NNC(=O)c1cccnc1O)c1cc[nH]n1	1470049692	ICLJSGSDOMXMJJ-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
Cn1nnc2c(=O)n(C/C=C/C#N)cnc21	1559426487	VCJRDOZKLMTMGL-NSCUHMNNSA-N	216.204	-0.395	50	10	BBGE	
N#CC[C@@H](C(=O)NNC(=O)CO)c1ccccc1	1641424630	VWAUWHAJZDZEOX-SNVBAGLBSA-N	247.254	-0.176	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1877521451	UDHALRWXECXJME-UCROKIRRSA-N	204.657	-0.544	50	10	BBGE	
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NN	1880022549	FKDJZGVHDDXESH-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
O=S(=O)(NCCCl)c1nc[nH]n1	1880795120	SOBLPQONSGYKCR-UHFFFAOYSA-N	210.646	-0.678	50	10	BBGE	
C#C[C@H](CCl)NC(=O)Cn1cnnn1	1884829570	SAKZBRPOYHOVDH-ZCFIWIBFSA-N	213.628	-0.970	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCO1	1889749608	DQMFJBIRBQYVRM-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CSC[C@@H]1CCNC1)C(=O)NN	1890943483	XVKJPQALJDPRQJ-JGVFFNPUSA-N	217.338	-0.045	50	10	BBGE	
CN(C)NC(=O)[C@]1(O)C[C@H]1C(F)(F)F	1892574937	NPPYYADHVOVJFY-XINAWCOVSA-N	212.171	-0.108	50	10	BBGE	
O=C(NC[C@]1(O)CCNC1)[C@@H]1C[C@H]1Cl	1893445558	DEUYAQPXVMROPB-BHNWBGBOSA-N	218.684	-0.546	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893451969	AHQOKMVTZRQBCX-XUTVFYLZSA-N	219.668	-0.120	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475373	SPYPTWIYZWTHMQ-MOJAZDJTSA-N	221.640	-0.436	50	10	BBGE	
CON(C(=O)/C=C/C(=O)Cl)C1CNC1	1893504767	MFFPPFMDBJJPPL-NSCUHMNNSA-N	218.640	-0.330	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2C=C[C@H]1C2	1893860131	IGCQFMLLHLWELG-CSMHCCOUSA-N	209.249	-0.458	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCCO1	1895632050	JUCMGFXHFMBDCG-ZETCQYMHSA-N	203.242	-0.981	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	1901323863	ONFITUXSWCNNID-KBIXCLLPSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](COC[C@H]1CCCN(C)C1)C(=O)NN	1901444517	ZWWBUVPHTQYTFK-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2C[C@H]1[C@H]2CO	1902403774	UOEKPUZKXJDNCY-CSMHCCOUSA-N	239.724	-0.132	50	10	BBGE	
Cc1nc(CN(C)C[C@@H]2C[C@H]2C(=O)NN)no1	1905880898	VAEDHYXPRCQBMN-JGVFFNPUSA-N	239.279	-0.564	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cc(B(O)O)ccc1F	1908957475	LIISTESJTDYFHW-OIBJUYFYSA-N	240.039	-0.081	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OCC[C@H]1C	1909987923	NNJBEAGBZQXAKS-RKDXNWHRSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@@H]2[C@@H]1CO	1910393049	PUBSINIKYKTKGM-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
CCCN(C1COC1)[C@H](CC)C(=O)NN	1915660315	MZDVBNFTSGKGQZ-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
COc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1927910378	GBMYGHFXCRPXDQ-POYBYMJQSA-N	210.237	-0.482	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COC[C@@H]1Cl	1928687395	SHXFCYHCUHRLSB-BQBZGAKWSA-N	230.655	-0.600	50	10	BBGE	
CCC1(F)CN(CCOCC(=O)NN)C1	1930267718	OYXTUPXHEJAXMH-UHFFFAOYSA-N	219.260	-0.573	50	10	BBGE	
C[C@H](CN(C)CC(F)(F)CO)C(=O)NN	1931081017	UHOODIBNKLDPQZ-ZCFIWIBFSA-N	225.239	-0.828	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NNCCO)S1	1931585459	QGZBWMCPVGBTJZ-RQJHMYQMSA-N	204.295	-0.116	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC(C(F)F)C1	1932751145	HPMSSBBGZQNPML-UHFFFAOYSA-N	221.207	-0.522	50	10	BBGE	
CCOCCN(CC)CC(F)(F)C(=O)NN	1935932921	UXEQUDBNHWHZJE-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CN(C[C@@H](O)C1CC1)CC(F)(F)C(=O)NN	1935940547	DCGOSBIAUMBUFA-SSDOTTSWSA-N	237.250	-0.686	50	10	BBGE	
CCc1cc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)cn1	1941090050	YJVIPENONPPTHO-APPZFPTMSA-N	236.275	-0.568	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)[C@@H](C)C1	1941784902	WLTAPGBDEQHESJ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1948374121	KWNPODNDKUGORE-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CC[C@@H](O)C1	1956901598	ZCNHDEWUHUZMSL-SSDOTTSWSA-N	240.712	-0.779	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C[C@@H](C)C1	1958494858	NZGYIHFOCWOZAV-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1960615600	BBLRVAOAQUGLCZ-NZFNHWASSA-N	236.341	-0.425	50	10	BBGE	
Cc1nc(NN)ncc1C(=O)NN(C)C	1961178008	LWVNOKSAQGQSMD-UHFFFAOYSA-N	210.241	-0.723	50	10	BBGE	
COCCCN(C)c1nc(B(O)O)cs1	1961717443	ALXHQXLFDIYLNA-UHFFFAOYSA-N	230.098	-0.704	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC2)n1	1961718272	MMIKRAKLELCNJI-UHFFFAOYSA-N	207.042	-0.935	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H]1CCCS1(=O)=O	1974775055	BXEVKKIQNAOYBI-JGVFFNPUSA-N	249.719	-0.080	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC2(CCCC2)CO1	1979305422	CHCRIYXCYSKIMC-QMMMGPOBSA-N	227.069	-0.536	50	10	BBGE	
Cc1ccnc(N2C[C@@H](C)[C@H]2C)c1B(O)O	1981415465	FBVMJIWITYQZMY-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCOC2)nc1	1981429797	IBRHXRDXVPYQEA-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
CN(C)C1CC(Oc2nc(B(O)O)cs2)C1	1986221568	PYYYKTLBDUEEAP-UHFFFAOYSA-N	242.109	-0.706	50	10	BBGE	
C=C(CN1CCN(C2(C)CC2)CC1)B(O)O	1992152171	APKAGALYZMMADA-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2COC[C@H]21	1992340419	ZDGZCXZQNUQEJE-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H]2[C@H]1CO)C(=O)NN	1992534978	DFBXSMWTBVAMCK-DJLDLDEBSA-N	227.308	-0.685	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC2(C)C)c1B(O)O	1993464921	SFPBXPDTQGABLV-SSDOTTSWSA-N	222.053	-0.358	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2CC2CC2)nc1	2004912217	QDZCRVNDFYTNHK-SNVBAGLBSA-N	233.080	-0.465	50	10	BBGE	
Cc1cc(N2C[C@H]3CC[C@H]3C2)ncc1B(O)O	2005014035	FOQHURSJJLJMJT-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC3(CC3)C2)n1	2005014742	PYRJQKFOOGTDNJ-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CNC[C@@H]2F)CC1	2008067231	KTSQSFBIGMYYJE-IUCAKERBSA-N	241.266	-0.579	50	10	BBGE	
CN(C[C@@H]1OCC[C@H]1F)CC1(C(=O)NN)CC1	2009201014	DSHJVAMUQYXNGJ-BDAKNGLRSA-N	245.298	-0.185	50	10	BBGE	
CC(F)(F)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	2012746190	SWRWKWLULKTART-SSDOTTSWSA-N	247.245	-0.154	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCC=CB(O)O)[C@@H]1C	2020055496	BIRPEPZQRIFJAB-UTINFBMNSA-N	241.096	-0.270	50	10	BBGE	
COCCN(C1CCC1)[C@@H](COC)C(=O)NN	2020636875	ILDKQVDXKCXHLW-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1C[C@@H]2C[C@H]2C1	2028426832	WKDRDNCWAVIXJP-YUMQZZPRSA-N	247.063	-0.755	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)ccc1B(O)O	2052623719	ALJJNCKUCGXUPF-WDCWCFNPSA-N	244.103	-0.086	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2C2CCC2)n1	2052625933	REDVHCNAZVFIMS-NSHDSACASA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2[C@H]3CCC[C@H]23)n1	2052627939	SPKVMQBFFDSILU-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
CCc1c(OC)ccc(B(O)O)c1C=O	2060167251	KZUFOWZXRSTCDL-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CO[C@H]2C[C@@H]1C2	2063130906	SPOGXHYQUBPCAA-VDDIYKPWSA-N	248.091	-0.625	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccccc2B(O)O)[C@H]1C	2079007891	BGLVIYCLASJVCA-IUCAKERBSA-N	247.103	-0.002	50	10	BBGE	
OC[C@]1(O)CCN(CCCCl)C[C@@H]1O	2209502573	CDKLDGYCYOUXAP-DTWKUNHWSA-N	223.700	-0.595	50	10	BBGE	
C#CCN(CC=C)c1ccc(B(O)O)cn1	2212612054	HRDOHUVIVCTUHT-UHFFFAOYSA-N	216.049	-0.613	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)CCC12CC2	2214781679	YUJNLNYSTPOYAL-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]21	2215773290	SESYBWLCVNDDDK-UVOCVTCTSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@]12CCOC2	2215777080	QMYAIZHEVFKYED-HOSYDEDBSA-N	239.319	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)N(C)C[C@@H]1C	2216200619	VTJCXGKTQLISTQ-BDAKNGLRSA-N	242.323	-0.822	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CCC2)C[C@H]1O	2216531431	BTPWMAFEXYDOKS-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(F)C[C@H](CN=c2ccc(B(O)O)c[nH]2)C1	2217179927	OWZRQKMZKPLQDJ-JLIMDTESSA-N	238.071	-0.267	50	10	BBGE	
CC[C@H](CNc1ccc(B(O)O)cn1)N(C)C	2217181258	YZGJHIROGUHIBH-SNVBAGLBSA-N	237.112	-0.487	50	10	BBGE	
Cc1cnc(NC2CC(C)(O)C2)cc1B(O)O	2217183790	ODARHYHFRVERQN-UHFFFAOYSA-N	236.080	-0.605	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cnco1	2217195798	NQZJZRDXUAMMQD-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CC1(Cn2cc(B(O)O)cnc2=O)CCCC1	2217402887	AJAYTTULOHBPFB-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CC1(C)C[C@H](O)CN1Cc1cccc(B(O)O)c1	2220070458	HKRJRZUAFHPYTC-LBPRGKRZSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3[C@@H](O)C[C@H]32)c1	2220071656	LFUXFVZZYHLWFE-XQQFMLRXSA-N	247.103	-0.679	50	10	BBGE	
Cc1cnc(NC[C@]23COC[C@H]2C3)cc1B(O)O	2223642316	ZSULOGVJPNDDPS-BXKDBHETSA-N	248.091	-0.482	50	10	BBGE	
Cc1cnc(N2[C@H]3CC[C@H]2CNC3)cc1B(O)O	2223651021	ULEFLGSMQRARCR-UWVGGRQHSA-N	247.107	-0.990	50	10	BBGE	
CN1CC[C@](C)(CNc2ccc(B(O)O)cn2)C1	2223653769	UQLSZMZDOBHFDP-GFCCVEGCSA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@H]3CNC[C@H]2C3)nc1	2223662816	VLXRIUSOWHQDMQ-NGZCFLSTSA-N	248.091	-0.862	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncccn1	2223677294	MEJCIYWXYPMEMG-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
O=C1NC[C@@H]2CCCN(C(=O)CCl)[C@@H]12	2241243245	QTOJNEMYLVXNNK-POYBYMJQSA-N	216.668	-0.038	50	10	BBGE	
CN(C[C@@H]1C[C@H]1Cl)CC1(O)CNC1	2241931457	NJJOYHVTGYPQTH-JGVFFNPUSA-N	204.701	-0.120	50	10	BBGE	
CCON(CC)C(=O)c1nscc1B(O)O	2243348198	VEANIJKUEHMHBT-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)CC(F)(F)F	2243356215	DCYHWHVRNGTGCB-LURJTMIESA-N	236.986	-0.294	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H]1C1CCC1	2243356833	NMXYGXUATJBCOR-UWVGGRQHSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H](CC1CNC1)NC(=O)C1(B(O)O)CC1	2243358773	KWQOGLSKHLJIPJ-ZETCQYMHSA-N	226.085	-0.892	50	10	BBGE	
O=C(NN1CCCC1)c1ccsc1B(O)O	2243359640	VNVVNKNGGBOXEN-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
C#CCCN(C(=O)C#CB(O)O)C(C)(C)C	2243362134	MUKBXBPWWWWYAA-UHFFFAOYSA-N	221.065	-0.348	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@H](F)C1	2243362379	QCYYNWITTQMZRS-BDAKNGLRSA-N	227.044	-0.354	50	10	BBGE	
Cc1scnc1CN(C)C(=O)C#CB(O)O	2243363017	ZZOVJWXLVNNSOX-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1C[C@@H](O)C1	2243365331	LCQOKQSYGWAWQA-OCAPTIKFSA-N	227.069	-0.635	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1N	2243408748	UOEDRLLJSYGZCH-SFYZADRCSA-N	226.085	-0.811	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21)C1(B(O)O)CC1	2243408861	WRAJQZKSGZDRGQ-XGEHTFHBSA-N	221.065	-0.140	50	10	BBGE	
O=C(NOCC1CC1)c1cscc1B(O)O	2243410312	ZHHYQPJFBGCEFY-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
O=C(NO[C@H]1CCOC1)[C@H]1C[C@@H](B(O)O)C1	2243413894	PIFGZYLCUSJYIB-RNJXMRFFSA-N	229.041	-0.924	50	10	BBGE	
CC(C)[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415182	PVAUCIUUTOPDKD-HRDYMLBCSA-N	229.085	-0.628	50	10	BBGE	
O=C(NCC1CC(O)C1)[C@H]1C[C@H](B(O)O)C1	2243426112	FAMIVHLXBVCLAL-PAVDCMTPSA-N	227.069	-0.874	50	10	BBGE	
CCN(CCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2243752323	HZAOOTGVXBSNNS-NKWVEPMBSA-N	229.041	-0.828	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1CCOCC(=O)NN	2243805100	NWMZFXVLMKVOIQ-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2cncc2C1	2244401160	SWFYLECTFSQSLR-VIFPVBQESA-N	223.280	-0.533	50	10	BBGE	
Cc1c[nH]nc1NC(=O)c1ccc(B(O)O)o1	2247741371	YSVMOSWQORVRAM-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CC1(C)CCC[C@H](CNC(=O)C#CB(O)O)O1	2247748131	YGLXKEYBXFGRJC-SECBINFHSA-N	239.080	-0.534	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)[C@H]1C[C@H]1C	2247753150	CAPLKGSQXJUIDR-CSMHCCOUSA-N	237.064	-0.266	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)cn1C	2247757523	KBDJXYWGOGPIBN-SFYZADRCSA-N	236.080	-0.815	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@@H]1CO	2247758301	UTYISMXOEJMUJA-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787020	JYIUOJDNDKUCCG-KZVJFYERSA-N	237.064	-0.223	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1Cc2conc2C1	2247790271	GIQJXOXYWAIWFH-FKQCQYRASA-N	236.036	-0.230	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792267	RVLCNDHFSNECNS-NGZCFLSTSA-N	242.128	-0.271	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2247808899	WORWAKXZMLJBEU-SRQGCSHVSA-N	239.080	-0.325	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ccoc1B(O)O	2247846579	JBLNKCGJZZCWGR-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)C#CB(O)O)[C@@H](C)O1	2247848646	OMABYJUZPUQEIV-OPRDCNLKSA-N	239.080	-0.726	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCN(C)C(=O)C#CB(O)O	2247849705	DHNCFRDYCDTAOV-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
CCCO[C@@H]1C=CCN(C(=O)C#CB(O)O)C1	2247851814	KLKZVHUHFSIIMH-SNVBAGLBSA-N	237.064	-0.805	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1ccoc1B(O)O	2247866926	VLGYCGZIEUCUBX-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC12CC2	2247867471	GELKWCJCKYEYHO-MRVPVSSYSA-N	235.048	-0.450	50	10	BBGE	
C[C@@H]1[C@H]2CNC[C@H]2CN1C(=O)C1(B(O)O)CC1	2247872381	RBMWJMHNWUCZRV-HRDYMLBCSA-N	238.096	-0.940	50	10	BBGE	
CC1(CNC(=O)c2coc(B(O)O)c2)CCC1	2247872620	WFJFDDUKECUUNG-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C=CCCNC(=O)c1cccc(B(O)O)c1C	2247873443	JNWZBUAAXDDABG-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N[C@@]12CCOC[C@H]1C2)C1(B(O)O)CCC1	2247877698	IYOBIPCUYNATDC-LDYMZIIASA-N	239.080	-0.321	50	10	BBGE	
COCC(C)(COC)NC(=O)[C@@H]1C[C@H]1B(O)O	2247900438	WTZQDKAQOWPGFD-HTQZYQBOSA-N	245.084	-0.983	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)C1CC(B(O)O)C1	2247902883	IAKWYRDOHNRRSC-NWGYLPEXSA-N	241.096	-0.387	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C(=O)[C@@H]2CCC[C@@H]21	2247909491	JYIUOJDNDKUCCG-YNTFGVKOSA-N	237.064	-0.223	50	10	BBGE	
C#CC(=O)N1CCCc2cccc(B(O)O)c21	2248395154	HVNMUUVKBFLEMS-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
C=CCC(=O)N1CCc2ccc(B(O)O)cc21	2248398174	QWJVKPLBTYDHGJ-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1NC(=O)C1(B(O)O)CCC1	2248579976	YHKLUKWCFFHTCR-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)C1CC(CNC(=O)C2(B(O)O)CC2)C1	2248588404	CJBMWWHKPVMJBC-UHFFFAOYSA-N	241.052	-0.780	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1[C@H]2CCC[C@H]1C2	2249415881	KCVYVKCNKIQILJ-IUCAKERBSA-N	235.048	-0.274	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]2C[C@@H]21	2249416964	ZDKLKHHSEIQBRX-XVKPBYJWSA-N	235.048	-0.416	50	10	BBGE	
C=CCN(C(=O)c1cocc1B(O)O)C1CC1	2249423002	HNXRQNKASUXHRG-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
CC(F)(F)C1(C(=O)NCCC#CB(O)O)CC1	2250001745	BCFWTXDMSYFQHK-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CCCN(C(=O)c1ccncc1B(O)O)C1CC1	2255451904	BBCGBGBSNOZESV-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C[C@@H]1CCC=C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255472924	IKFNQXPMNYRKJI-SCZZXKLOSA-N	248.091	-0.221	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(F)c(B(O)O)c1	2255504895	JKJYBHRMEVOMDL-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2ccncc2C1	2255568970	RHFCRCLOLBDDMU-MNOVXSKESA-N	246.075	-0.171	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cc(C)c(B(O)O)o1	2255573730	RBZGIIOAIUZNIF-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)Oc1ccccc1	2255672439	HIZGVTCGRHAHKM-JTQLQIEISA-N	247.059	-0.415	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1cccnn1	2255745947	QWFUXRVHTSFWTE-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cc1ccnc(C(=O)N2CCC[C@H]2C)c1B(O)O	2255786223	QGIDGKJVVOTJNS-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257486752	JCGVSFVRHRWNJW-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1cc(B(O)O)co1	2258124074	XJKTYHLQOAAIAM-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]2[C@H]1CO	2298369455	VBJHVBNWDPIFAN-HOTMZDKISA-N	239.080	-0.921	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2298370085	NTRGZXHIINTMIP-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2298371077	YTKGZDPAIZYZDA-AFNXEJLXSA-N	241.096	-0.223	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2298376742	MCCLQECUSXOKAS-HXFLIBJXSA-N	241.096	-0.221	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@@H]1C[C@H]1B(O)O	2298376941	YNRYQJMPZPINGM-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2298377078	CTQXPHCIINTQHT-SWXZISNSSA-N	238.096	-0.909	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2299257318	ISYUDZKORIIVDV-VGRMVHKJSA-N	241.052	-0.924	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC2CC1(CO)C2	2299755789	FODTYBKLMFDGMO-QLWZBITOSA-N	239.319	-0.541	50	10	BBGE	
C#C[C@H](C)N(C)c1ccc(B(O)O)cc1C#N	2301345394	FJXXWMWNIMUBCO-VIFPVBQESA-N	228.060	-0.304	50	10	BBGE	
C#C[C@H](CC)Oc1ccc(C=O)c(B(O)O)c1	2301420282	CNLOJKHYAJEZNS-SNVBAGLBSA-N	232.044	-0.031	50	10	BBGE	
C=C[C@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2301422025	CJWSRKRMPFYCIE-SECBINFHSA-N	235.048	-0.862	50	10	BBGE	
OB(O)[C@@H]1CCN(CCN2CCC(F)(F)C2)C1	2303102469	WKJVKNLRHYBWMJ-SECBINFHSA-N	248.082	-0.124	50	10	BBGE	
C[C@@H](CC(=O)O)CC(=O)N1CC[C@@H](B(O)O)C1	2303112420	RVROYLHLNZQLFV-HTQZYQBOSA-N	243.068	-0.437	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC[C@H]2CCNC2=O)C1	2303157222	ZXQGUSBYAJJYHN-KOLCDFICSA-N	240.112	-0.549	50	10	BBGE	
CC[C@@](C)(CN(C)Cc1ncno1)C(=O)NN	2303428954	NNPWHXLDDQFPMV-JTQLQIEISA-N	241.295	-0.092	50	10	BBGE	
OB(O)c1cc(N[C@@]23COC[C@@H]2C3)ncc1F	2303850590	UNSFMAQCLCYXHC-WKEGUHRASA-N	238.027	-0.899	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]1[C@H](O)C2	2306284191	TWHXQVPTBDAXEO-UNQZSWDGSA-N	239.319	-0.542	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2CC[C@H]1C2	2312857385	RSNZPLAHFPIYGE-BDAKNGLRSA-N	249.075	-0.108	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2313082818	AZHBMGAGIQMISL-UGYAYLCHSA-N	247.059	-0.560	50	10	BBGE	
Cn1cc(Oc2ccc(B(O)O)cc2C#N)cn1	2317202747	URWHHCBXEQUGFV-UHFFFAOYSA-N	243.031	-0.236	50	10	BBGE	
N[C@H]1CCCN(c2ccc(C=O)c(B(O)O)c2)C1	2317310476	AXTCTTFPSNKJSP-JTQLQIEISA-N	248.091	-0.894	50	10	BBGE	
CCc1cnccc1CN(C)C(=O)C#CB(O)O	2317760692	PGDWZMXTTPHZEO-UHFFFAOYSA-N	246.075	-0.382	50	10	BBGE	
Cn1cc(C(=O)CCl)c(=O)n(C)c1=O	20431120	KJVQAHWBEYMKFO-UHFFFAOYSA-N	216.624	-0.495	50	10	BBGE	
NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCl	37834216	RNLFQGAQTZEHIF-NTSWFWBYSA-N	220.656	-0.938	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)c1cccnc1	49828080	UPEQYWMLJNLCGM-SECBINFHSA-N	236.275	-0.174	50	10	BBGE	
C/C(=N\NC(=O)c1cn(C)nc1N)N(C)C	82291865	XMJWHITWTOQFEX-IZZDOVSWSA-N	224.268	-0.373	50	10	BBGE	
CCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	82464973	JNCXBJPEVQLARA-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](C)CC(=O)NN	82470270	XTKRVLCCROXLPU-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
COC(=O)[C@@H](O)CCNC(=O)CCl	83346051	JBFUXVQGTPGDQN-YFKPBYRVSA-N	209.629	-0.735	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	158715994	DHKOWDBWZVWJDX-PHDIDXHHSA-N	202.210	-0.059	50	10	BBGE	
COC(=O)[C@@H]1CC(=O)NN(C(=O)[C@H](C)Cl)C1	170278076	OKWIISDLPSGYMF-NTSWFWBYSA-N	248.666	-0.334	50	10	BBGE	
O=C=NCNC(=O)Nc1[nH]nc2c1CCNC2	170294346	NYIKXTMQSYJEGU-UHFFFAOYSA-N	236.235	-0.530	50	10	BBGE	
COCCNC(=O)C(=O)NCCCCl	170334790	KIGOYBDMBFVGAE-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
CCOc1cc(B(O)O)c(F)cc1OC	203019083	RDTLWQYJDLALCP-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CC(C)(N)c1nnc(-c2cccc(B(O)O)c2)o1	211478371	SONWLXIVMXQOJV-UHFFFAOYSA-N	247.063	-0.390	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@H]1CCOC1	234557107	SSVSQTRUSUIJQU-NKWVEPMBSA-N	235.667	-0.081	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCOC1)C(=O)NN	251156592	ZENDWYHNQXXTRT-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
N#CC1=C(CN2CCOCC2)C=NS1(=O)=O	260190957	PCTZKQHNTZQBIY-UHFFFAOYSA-N	241.272	-0.490	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@H](O)C1	306717170	GLVQNMDNZWGWQA-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
CC[C@@H](NC(=O)CBr)C(N)=O	307690629	OZMQHRJMORLYRK-SCSAIBSYSA-N	223.070	-0.239	50	10	BBGE	
OB(O)c1cc(C2CCOCC2)ncc1F	309494598	CMPJVBATBXGELT-UHFFFAOYSA-N	225.028	-0.206	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(O)(C2CC2)C1	384173064	URAVJDJRGFREER-JGVFFNPUSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1[C@H](N)CCN1CC(=O)NNc1ccccn1	385156843	FLRARQJTPZFXDI-NXEZZACHSA-N	249.318	-0.054	50	10	BBGE	
CO[C@@]1(C)CCN(Cc2ccccc2B(O)O)C1	385935111	LIEIPQXXQNFOGH-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H]1CN(Cc2nc(C(=O)NN)co2)CCO1	387035801	UDUOIEZEBMFVPJ-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C1	395593921	NYNFQCWDXPDYCP-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
N#Cc1c(CO)c(B(O)O)cc2sccc12	396227132	SJKZDXFCQTXGPZ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(N)=S)[C@@H](C)O1	686472205	KLIBIPYHEKDYRC-HSUXUTPPSA-N	217.294	-0.336	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(C)C[C@H]1CO	699492075	VSALTHWBPBOORV-IUCAKERBSA-N	234.727	-0.004	50	10	BBGE	
C[C@@H](O)CN(C1CC1)[C@H](C)C(=O)NN	709378396	QROGKXWOOLARIV-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1	720837460	FAMMVQLITSWUGQ-MIMYLULJSA-N	236.080	-0.480	50	10	BBGE	
CCN1C(=O)C(=NNC(=O)CO)c2ccccc21	776779878	RPHYWMQSPBESGE-UHFFFAOYSA-N	247.254	-0.134	50	10	BBGE	
COC1(CC(C)=NNC(=O)C(N)=O)CCC1	814695399	ACNMEIWNPWOMPC-UHFFFAOYSA-N	227.264	-0.077	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)O)C1	847856759	RMMYEIQFXUGCBG-MRVPVSSYSA-N	243.307	-0.754	50	10	BBGE	
C=C(C)C[C@H](NC(C)=O)C(=O)NNC(C)=O	854155612	QZRGCGDJIODLBW-VIFPVBQESA-N	227.264	-0.375	50	10	BBGE	
CN(NC(=O)[C@]1(O)CCOC1)c1ccccn1	862747237	ONBIKULGRBCFKL-NSHDSACASA-N	237.259	-0.300	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@@]2(O)C1	882736590	NNBRVKHCFDIDSC-PHDIDXHHSA-N	211.670	-0.421	50	10	BBGE	
OB(O)c1cnn(C[C@H]2OCCC23CCC3)c1	888081757	DUPUEADUMFPCLW-SNVBAGLBSA-N	236.080	-0.478	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)[C@H]1CCCO1	906396142	YPCCTVWSZLAIJO-NKWVEPMBSA-N	215.253	-0.238	50	10	BBGE	
CNC(=O)NNC(=O)c1cn2nccc2nc1C	1292009528	CQKRAJUFEXCJDG-UHFFFAOYSA-N	248.246	-0.388	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cn(C)cn1	1319523468	AYAIVOIRKWBBCI-UHFFFAOYSA-N	225.252	-0.228	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@@H]1CCN(C)C1	1332149600	UGKDFVDNTJTTMY-UWVGGRQHSA-N	229.324	-0.328	50	10	BBGE	
O=C(NNc1ccncn1)c1cc([N+](=O)[O-])n[nH]1	1449875657	AXLHUNGYUMCVTL-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2ncccn2)CC1	1584132675	IRFOZCHJRJUCDZ-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNc1ncc(F)cn1	1596383846	YIIVGJKZKDDDHU-RXMQYKEDSA-N	241.226	-0.430	50	10	BBGE	
C=C[C@H](O)C(=O)NCCSS(C)(=O)=O	1636475654	QYFWZTLKCWTCLJ-LURJTMIESA-N	239.318	-0.658	50	10	BBGE	
O=C(NC1CNC1)[C@@H]1C[C@@H]1Br	1880435262	ZWYCPTGOIGZUHD-RITPCOANSA-N	219.082	-0.142	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)NCC(Cl)Cl	1880598060	QGNZDQYESDWYOV-NQXXGFSBSA-N	215.080	-0.386	50	10	BBGE	
CS(=O)(=O)CCOC[C@@H](O)CCl	1881140146	OHXDWUFNTGBPHO-LURJTMIESA-N	216.686	-0.353	50	10	BBGE	
O=C(NCB(O)O)C1CC(Br)C1	1881349654	STNJGNSBJCNYKG-UHFFFAOYSA-N	235.874	-0.712	50	10	BBGE	
NS(=O)(=O)CCNC[C@@H]1C[C@H]1Cl	1881365684	NFXVFEZZKWJJQH-NTSWFWBYSA-N	212.702	-0.508	50	10	BBGE	
NC[C@H]1C[C@@H]1NC(=O)C=CC(=O)Cl	1883626824	LQBKKDLSDVHMGF-RITPCOANSA-N	202.641	-0.229	50	10	BBGE	
NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1Cl	1883635304	VPMMUWRHTWOUNA-RFZPGFLSSA-N	226.685	-0.982	50	10	BBGE	
CC[C@](C)(CN1CC(O)C1)C(=O)NN	1891977811	PWQNGTLYWYXUBO-SECBINFHSA-N	201.270	-0.931	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(CO)(CO)C1	1893460353	DYJRABVIEGJVOD-RQJHMYQMSA-N	219.668	-0.573	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(O)(C(=O)O)C1	1893469002	DRTDWCTWKCTPBO-WHFBIAKZSA-N	219.624	-0.728	50	10	BBGE	
CN(CC(CO)CO)C(=O)[C@@H]1C[C@H]1Cl	1893469828	MUUZZVZNYBXWKO-HTQZYQBOSA-N	221.684	-0.327	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@H](F)C1	1900250474	KQPLZHZIUKGSEL-SECBINFHSA-N	233.287	-0.183	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H]1[C@H](C)N	1901374971	IALLPEQEIIRZSI-XLPZGREQSA-N	249.336	-0.718	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C#C[C@H](C)N	1902015114	VSNWAXPCSVNMBS-QMMMGPOBSA-N	247.320	-0.960	50	10	BBGE	
C#CCC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1	1902522055	MOMBOMGFVWCPTR-SECBINFHSA-N	221.065	-0.135	50	10	BBGE	
C[C@@H]1[C@H](N(C)C(=O)C#CB(O)O)CC1(C)C	1902624928	YBXOWQXYWUGTPV-RKDXNWHRSA-N	223.081	-0.105	50	10	BBGE	
CCC1(O)CN(C[C@](C)(CC)C(=O)NN)C1	1902720272	NPZTUFRUXKMZOC-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCSC2)n1	1902729341	WMXVFYFRDBNGDG-UHFFFAOYSA-N	239.109	-0.716	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@H]1CO	1909057169	SAXBXEPSMSSAJV-DTWKUNHWSA-N	213.281	-0.766	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](CC(C)C)C(=O)NN	1916202871	SNQAQJWKSBVESO-IUCAKERBSA-N	244.339	-0.543	50	10	BBGE	
C[C@@H]1C[C@@H](NNC(=O)C(F)(F)F)C(=O)O1	1923425534	YLWXXGPSIOZYMB-QWWZWVQMSA-N	226.154	-0.127	50	10	BBGE	
N[C@@H]1CC[C@H]1NS(=O)(=O)CBr	1923842692	OEJVSRDSBCJMEX-RFZPGFLSSA-N	243.126	-0.252	50	10	BBGE	
Cc1nc(C)n(C[C@H]2C[C@@H]2C(=O)NN)n1	1927911217	MQECUTITRQOUKW-SFYZADRCSA-N	209.253	-0.479	50	10	BBGE	
CC1(C)CCN(CCOCC(=O)NN)C1	1928178998	LFHNSWAQUCJMKJ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CCC1(O)CN(CC2(C(=O)NN)CC2)C1	1931266703	JFKIRTBLPJVVEL-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)C(=O)Nc1cnn(C2CC2)c1	1932775634	QMZRWHYTOIPLQP-UHFFFAOYSA-N	209.209	-0.854	50	10	BBGE	
NNC(=O)COCCN1CCCC12CC2	1933372232	BZGWYVHAGIJEKJ-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
COCC(COC)OC[C@H]1C[C@@H]1C(=O)NN	1936093178	BLDYUOOSWYKKQK-APPZFPTMSA-N	232.280	-0.710	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@@H]1F	1937153039	IEHZSIFERFZBOV-XHNCKOQMSA-N	233.287	-0.186	50	10	BBGE	
C[C@H](CN1C[C@H](O)[C@H](C2CC2)C1)C(=O)NN	1937476951	FKVOQTSHVALDKY-JEZHCXPESA-N	227.308	-0.685	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1F	1938231725	BUBWRSZUMVFDJU-HTQZYQBOSA-N	231.271	-0.575	50	10	BBGE	
COC[C@@]1(OC)CCN([C@@H](C)C(=O)NN)C1	1938620119	FAQBYFLMNPCBPT-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCO1	1941074238	QBSHKVVPZYOYPC-MXWKQRLJSA-N	241.335	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCNC(=O)CC1	1941631885	XJVFDPQARAPDIR-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)[C@H](C2CC2)C1	1943084181	XUAQXWAEMRBYCO-QWRGUYRKSA-N	241.335	-0.151	50	10	BBGE	
N#Cc1ccccc1OCC(=O)NNCCO	1944221177	ZZCQUDWVFBHKJX-UHFFFAOYSA-N	235.243	-0.450	50	10	BBGE	
CN(C)[C@@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945882486	ITXJPWZVUNBKEB-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
COc1cc(OC)c([C@H](N)[C@@H](O)C#N)cn1	1952957039	SGILYVJRLBCGGX-XVKPBYJWSA-N	223.232	-0.017	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCNC(=O)C1	1954238380	GPOXABVMWCSKDJ-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cnsc1	1955605634	PBPBAGDYZLRHKF-BYPYZUCNSA-N	214.250	-0.690	50	10	BBGE	
OB(O)c1cnn(CC2(F)CCCC2)c1	1960461254	NQZSQWCBIFHWPD-UHFFFAOYSA-N	212.033	-0.155	50	10	BBGE	
CN1CCN(CCC(=O)NN)[C@H]2CC[C@@H]21	1960962998	FEVLMZZSDYGQGD-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)CCCN1CC=C(CO)CC1	1961392221	VFRZRKTWZNRXON-UHFFFAOYSA-N	213.281	-0.619	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCOC[C@H]1C(N)=O	1962376749	NHAWJMWOVVTNLO-RQJHMYQMSA-N	234.683	-0.284	50	10	BBGE	
CN(CCF)Cc1nn(C)cc1C(=O)NN	1980591894	DNBUCGSSSNCYFL-UHFFFAOYSA-N	229.259	-0.575	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1N(C)CCC(=O)NN	1980816152	DYXBHUJERYIICN-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)CN1CCC[C@H](C(F)(F)F)C1=O	1981072889	OUQPMDLEPVAFDM-YFKPBYRVSA-N	239.197	-0.223	50	10	BBGE	
Cc1ncnc(O[C@H](C)C2CC2)c1B(O)O	1981420487	LYTLGGHVNCYOJE-SSDOTTSWSA-N	222.053	-0.358	50	10	BBGE	
COC[C@H]1CN(CCCC(=O)NN)C[C@H]1C	1982497511	NWJJKCCQGCITOV-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	1986567535	SMTTYWIPRUZDLG-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	1988180946	NHZJPNQARGJNQT-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)NCC=CB(O)O	1991327541	QXGHPBUVJWQINP-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@@H]1C[C@H]1Cl	1991687538	KRSOPKBRKDDESY-FSDSQADBSA-N	244.678	-0.123	50	10	BBGE	
C=C(CN(C)CCCn1ccnc1)B(O)O	1992146955	XVLBJFAKBKDTPN-UHFFFAOYSA-N	223.085	-0.227	50	10	BBGE	
C=C(CN1CC[C@](COC)(OC)C1)B(O)O	1992167641	NUXOZCOEJOFFDR-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999844964	CBLUDXUKGVIBQR-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(CC(C)(C)C(=O)NN)C1	2000965960	ASTBWGGRMRQTJC-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@]1(C)COC	2002851873	ZTSPGMCHAOLHFU-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(n2cccn2)CC1	2004042681	XUCGCMLXEHFMPU-VIFPVBQESA-N	237.307	-0.102	50	10	BBGE	
Cc1nc(N2CC[C@H](CF)C2)ncc1B(O)O	2004974579	MJTGSKHRXZVSJF-MRVPVSSYSA-N	239.059	-0.739	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)Cc1ncon1	2008883891	WMYXQFVBEQMNQB-UHFFFAOYSA-N	249.221	-0.483	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1CC[C@H](C(=O)NN)C1	2010834688	GFGIHPOFTYHXKT-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011132396	QPOOABRUKSUZQD-CKYFFXLPSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@H]1C(F)F	2019217874	BPHBSKLQDVVOAV-HTQZYQBOSA-N	249.261	-0.013	50	10	BBGE	
COc1ncccc1C(=O)NCC=CB(O)O	2020067696	KCTRMCJBYBUMPX-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2ccnc2C#N)n1	2050241348	HYKQYTJCWQFWDS-UHFFFAOYSA-N	245.246	-0.860	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCN(C)C[C@@H]2C)n1	2052623296	HJEXXRLTRFFTEZ-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CN(Cc1ccccc1B(O)O)c1ccnn1C	2052796226	WHYGBKNJKSLLLG-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
CC1(C(=O)NCCc2cccc(B(O)O)c2)CC1	2058068428	RWEYDBAEBGEIGX-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
COc1cc(Cl)cc(C#N)c1B(O)O	2060111350	NSTFRLJIHDBZRG-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1ccc(C)c([N+](=O)[O-])c1B(O)O	2060378756	FFZDOILWRQMMTL-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
O=C(CCc1cn[nH]c1)N[C@@H]1CCC=C1B(O)O	2076076039	JPOWXXCCFWOGKG-SNVBAGLBSA-N	249.079	-0.441	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)cc1	2079011824	JXOUQALIQHPALM-NEPJUHHUSA-N	245.087	-0.105	50	10	BBGE	
OB(O)c1cc(F)cnc1OC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2086992302	YQEZORQMKPMUPI-FNCVBFRFSA-N	249.050	-0.066	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C(F)(F)F	2212600531	DIZIKKYQDUHXEL-SCSAIBSYSA-N	234.974	-0.481	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H](O)C2)c1	2212600668	FCXWPJBWUPMKEM-IUCAKERBSA-N	222.053	-0.913	50	10	BBGE	
CC[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2212601091	INBIFOBFXIOGGP-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2cc(B(O)O)ccn2)C1	2212610651	MMXHXCUJNVENDJ-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
CCN([C@H](COC)C(=O)NN)[C@@H]1CCC[C@H]1O	2212901798	VESMNYFKHGPNME-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
C=CCN(CCO)Cc1cccc(B(O)O)c1	2214593743	XBMJGVIGCKBRNA-UHFFFAOYSA-N	235.092	-0.653	50	10	BBGE	
N#CC1(O)CCN(c2ncnc(N)c2N)CC1	2216909557	NGKXQOXPDKMMKP-UHFFFAOYSA-N	234.263	-0.504	50	10	BBGE	
CC[C@](C)(COC)Nc1ncccc1B(O)O	2217172333	JIQBWTDPWVGKCP-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCN1	2217172857	NENODUWNZMEPJL-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3cc(B(O)O)ccn3)C[C@@H]12	2217176274	ULEQJWGHHMCGOD-YWVKMMECSA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2217180826	LCYCPDWSWJNPFW-VFCFLDTKSA-N	231.064	-0.777	50	10	BBGE	
Cc1cnc(OCCC[C@@H](C)N)cc1B(O)O	2217182708	GLSZZGYDEPVWLQ-SECBINFHSA-N	238.096	-0.424	50	10	BBGE	
C#CC(C)(C)N(C)c1nccc(B(O)O)c1F	2217184394	SEMXRRWXSRGOBO-UHFFFAOYSA-N	236.055	-0.252	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2OCC[C@@H]12	2217199039	JQTHZQGTPJACGR-FXBDTBDDSA-N	234.064	-0.649	50	10	BBGE	
Cc1c(C(=O)NCC=CB(O)O)cnn1C1CC1	2221125409	KPPVJEQVSWULHG-UHFFFAOYSA-N	249.079	-0.176	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1-c1cc(B(O)O)ccn1	2223611624	UVZDOXHFNMNRCT-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
CC#CC[C@@H](N)COc1cc(B(O)O)c(C)cn1	2223622793	APVPLBOSTVIOAB-SNVBAGLBSA-N	248.091	-0.811	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1nccn1C	2223633717	AENHSNOGFJQLNG-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@@H]2CNC[C@H]21	2223675873	UGTPOIVOGDZODK-FXPVBKGRSA-N	247.107	-0.829	50	10	BBGE	
CCN(C)C(=O)c1ccsc1B(O)O	2241481356	RKKCPSUPAYDVEP-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]1[C@H](O)CO	2241829174	YVLYAPMCAPLIAX-BIIVOSGPSA-N	204.657	-0.455	50	10	BBGE	
CO[C@H](CCl)CNCc1nnn(C)n1	2242451665	UWFLOIYTCXCZER-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
C[C@@H](Cl)CC(=O)n1c(=O)cc(O)n(C)c1=O	2243050464	UKDJURGVAUKEJI-RXMQYKEDSA-N	246.650	-0.090	50	10	BBGE	
CC[C@@H](C)Oc1nc(OC)ccc1B(O)O	2243086948	VMHPUWGVNZLINP-SSDOTTSWSA-N	225.053	-0.053	50	10	BBGE	
O=C(N1CCOC[C@@H]1CF)C1(B(O)O)CC1	2243366252	ZIQGJDVDSWBBRW-ZETCQYMHSA-N	231.032	-0.810	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CCC2=O)s1	2243382032	KQJUYLBTHPLQEC-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)C1CC(B(O)O)C1	2243391605	MLXGQVUHXJTMBG-VBSAPZBBSA-N	227.069	-0.610	50	10	BBGE	
CN(C)CCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243396947	SSXUIMMMOAGWBN-IUCAKERBSA-N	228.101	-0.693	50	10	BBGE	
C[C@@H](O)C1(NC(=O)C2CC(B(O)O)C2)CC1	2243403919	GEVDYBYXUDEWEL-JECWYVHBSA-N	227.069	-0.731	50	10	BBGE	
N[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243404863	VSMCRSYSTAMLNL-XSPKLOCKSA-N	226.085	-0.765	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)cn1C	2243408480	NZDASTMYQCSOTQ-UHFFFAOYSA-N	222.053	-0.989	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)c(F)c1	2243408578	PUJXOGQIXLCDDA-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
CC1(C#N)CN(C(=O)C2(B(O)O)CCC2)C1	2243409111	BDJYQGAPABZOCV-UHFFFAOYSA-N	222.053	-0.244	50	10	BBGE	
N[C@H](B(O)O)c1ccc(-n2cncn2)cc1	2243553674	ASPFILUQJKSQMP-VIFPVBQESA-N	218.025	-0.721	50	10	BBGE	
C#CC[C@H](C)C(=O)N[C@H]1CCC=C1B(O)O	2243713459	WMHSEUCSOMRGMP-WPRPVWTQSA-N	221.065	-0.137	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243759310	VBBQXABQFFWRNY-VQVTYTSYSA-N	229.041	-0.781	50	10	BBGE	
C#CCCOCc1c(C(=O)NN)cnn1C	2243940219	XTELUWNBHYLIDW-UHFFFAOYSA-N	222.248	-0.437	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC=C[C@]1(C)CO	2246432502	GNJRXMRRTDTPAU-LLVKDONJSA-N	241.291	-0.833	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@]2(O)C[C@@H]2C1	2246741829	IPIFNPSYMRRXGM-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
O=C(C#CB(O)O)NCC1[C@H]2CCCCC[C@H]12	2247747831	SUHCXUDHTGSEEI-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)C1(B(O)O)CCC1	2247753544	AMUCKUOSRNIZLL-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CCCNC(=O)CCNC(=O)C1(B(O)O)CC1	2247756011	KOALSAXIJMOTOM-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCOC2)[C@H]1C[C@@H](B(O)O)C1	2247787532	QIOLVPACKNQTBX-DKIAZLNASA-N	239.080	-0.465	50	10	BBGE	
COCC1(N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247787731	SYKJHBDAWALECZ-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@]1(C)CCOC1	2247796869	DOCVCNIQPFQSJX-NWGYLPEXSA-N	241.096	-0.123	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247799297	BPGWHZZBAIFGRQ-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@](F)(CO)C1	2247799451	DFNAGSPAPIWSIP-SFVIPPHHSA-N	245.059	-0.828	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247807049	PPRQACDOHYSSLF-IVZWLZJFSA-N	242.128	-0.304	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CN1	2247808448	KXMPATGIAPXMSH-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(F)(F)C[C@@H]1CO	2247810389	XAKMPXIBUBHQLM-QYNIQEEDSA-N	249.022	-0.922	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C(F)(F)C12CCC2	2247846499	HLKQZZPDBCWPKA-ZETCQYMHSA-N	243.018	-0.447	50	10	BBGE	
C[C@@H]1CCC[C@](CO)(NC(=O)C#CB(O)O)C1	2247850611	QOVJTYBCEVTQBV-KOLCDFICSA-N	239.080	-0.941	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C[C@H]2C1	2247877370	GYMLARXIIWEPGL-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2247878625	LYADHDZNZRDPHA-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247886487	BYYUEDISVXQRSU-YBEMZLNNSA-N	239.080	-0.779	50	10	BBGE	
CNCC(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894063	BWFJJEJDPHRDMS-KYZUINATSA-N	242.128	-0.399	50	10	BBGE	
O=C(NCCc1cccnc1)[C@H]1C[C@@H]1B(O)O	2247896275	GBPCXNRWIADUCF-UWVGGRQHSA-N	234.064	-0.397	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(n2ccnc2)C1	2247900137	UGNMVZJYWPMGIB-DTWKUNHWSA-N	235.052	-0.871	50	10	BBGE	
COC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900205	UXZXVNUXEPGKJB-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)CN[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909457	JVSKIUNTTKSXEH-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)C1CC(B(O)O)C1	2247909771	LMLMYNIBAKVTSX-HZUXAKDWSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2248591900	VBSLBPMBIRUMCO-ZCFIWIBFSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](C(=O)NC1CC1)N1CCC(B(O)O)CC1	2249378723	QMDFCDITWUWQSP-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1cocc1B(O)O	2249423403	JQHDMNLSNLRIOV-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccncc2B(O)O)[C@@H]1C	2255449226	LGNIQXNSECVKER-DIYOJNKTSA-N	248.091	-0.607	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1ccncc1B(O)O	2255454610	QTWWUPIPPTZABA-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
Cc1c[nH]nc1NC(=O)c1ccncc1B(O)O	2255457754	IFBFLFBBRAGCNH-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1occc1B(O)O	2255488194	AGGATWQMGHKXMI-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
CC1=C[C@H](NC(=O)c2n[nH]cc2B(O)O)CCC1	2255546261	CCEDHSBQFNMCRD-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1cccc(C)c1B(O)O	2255735097	MXBFIRUSELGYSX-VHSXEESVSA-N	249.075	-0.808	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H](C)C#N)c(B(O)O)c1	2255736702	RWRHXRICZWOESK-SECBINFHSA-N	246.075	-0.436	50	10	BBGE	
Nc1cncc(CNC(=O)C2(B(O)O)CCC2)c1	2255738756	YFTZECXBEYWJJD-UHFFFAOYSA-N	249.079	-0.323	50	10	BBGE	
COc1cc(C(=O)N(C)C2CC2)ccc1B(O)O	2255764411	BLVBRNRNFNZKRS-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cocc1B(O)O	2258135381	RHFSYAYEWPXTHP-GPPXWSAVSA-N	247.059	-0.656	50	10	BBGE	
NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370081	NRIIVWIYYQUVGW-JLIMGVALSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCNC1	2298376407	VISRQVDVLMDYNN-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CC(C)N1[C@H]2CC[C@@H]1CN(CCC(=O)NN)C2	2299130963	COZDVTOQABCMJK-PHIMTYICSA-N	240.351	-0.077	50	10	BBGE	
CCN(CC)C[C@H](O)CN1CC[C@@H](B(O)O)C1	2303099825	SEZNWFSKPPPSED-MNOVXSKESA-N	244.144	-0.762	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCc2cccnn2)C1	2303121515	XLINLWFKHKUFJH-NSHDSACASA-N	235.096	-0.042	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303835638	ZSXQYFMEWRKDAZ-RKDXNWHRSA-N	240.043	-0.510	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2304251299	HTPJKEFILXMFNA-ZYUZMQFOSA-N	241.096	-0.533	50	10	BBGE	
O=Cc1ccc(N2CC3(CCO3)C2)cc1B(O)O	2317350167	OJBRQMGVSUSYHF-UHFFFAOYSA-N	247.059	-0.842	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)C(C)(C)C	58849539	PYZCWPYQTRKGNU-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CC[C@H]1CCCCN1C(=O)COCC(=O)NN	58853190	FYQGIDKPINZPKS-VIFPVBQESA-N	243.307	-0.216	50	10	BBGE	
NNC(=O)[C@@H](CN1CCNCC1)c1ccccc1	80955335	UHYSSFUQYRSUPL-LBPRGKRZSA-N	248.330	-0.335	50	10	BBGE	
Cc1nnc(SCCCC(=O)NN)n1C	82472784	KZKXCHYQBVRAAS-UHFFFAOYSA-N	229.309	-0.014	50	10	BBGE	
CCOCCN(C)C[C@H](C)C(=O)NN	87979979	WGSORTZGWZFABZ-QMMMGPOBSA-N	203.286	-0.419	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H](C(N)=O)C1	110568720	QCQPNURXLWYCGO-VIFPVBQESA-N	242.323	-0.656	50	10	BBGE	
CN(CC(N)=O)Cc1cccc(C(=O)NN)c1	110574589	BCJLLICAEPUZRU-UHFFFAOYSA-N	236.275	-0.793	50	10	BBGE	
Cn1ccn(Cc2occc2C(=O)NN)c1=O	149368555	KZQPQYCAFIETNZ-UHFFFAOYSA-N	236.231	-0.568	50	10	BBGE	
N[C@H](C(=O)N1CCC[C@@H]1B(O)O)C1CCCC1	197127584	QUXVIAHXXPEAMY-ZJUUUORDSA-N	240.112	-0.493	50	10	BBGE	
CCC[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	202352091	LVJQJXNVLIWBJD-HTQZYQBOSA-N	214.074	-0.883	50	10	BBGE	
OB(O)c1ccccc1CSc1ncn[nH]1	203197815	YVWBBPOWTGKIJF-UHFFFAOYSA-N	235.077	-0.223	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	230357430	MMDHJCCDCNCBAX-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	232420741	ZCOHXLCZWGDNSK-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)c1cc(B(O)O)c(Cl)cn1	238337972	BTAJIMSVHABMIJ-UHFFFAOYSA-N	215.401	-0.799	50	10	BBGE	
C[C@](O)(CBr)S(=O)(=O)O	238441894	NKXJNRLRKMKEHF-GSVOUGTGSA-N	219.056	-0.022	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCSC	300838240	LOEUYUZXPVCIDC-MRVPVSSYSA-N	235.353	-0.324	50	10	BBGE	
CNC(=O)CSCc1ccoc1C(=O)NN	300846743	RVWQGFBJOYQTMF-UHFFFAOYSA-N	243.288	-0.138	50	10	BBGE	
O=C1NCN[C@@H]2NC[C@H](Br)C[C@H]12	307243702	TVEONCXRTVWXFI-SRQIZXRXSA-N	234.097	-0.638	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H](C)OC	308169819	AXYMZMRSNQHDSX-RXMQYKEDSA-N	205.283	-0.464	50	10	BBGE	
CC1(C)O[C@@H]2/C(=C\C#N)NC[C@H](O)[C@H]2O1	308759850	WIMLSGGTZJODEX-NOXQCFIESA-N	210.233	-0.122	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC(F)(F)C2)O1	313313459	QTHVEUPNGSKDDQ-JGVFFNPUSA-N	249.261	-0.135	50	10	BBGE	
CNC(=O)C[C@@H](C)NS(=O)(=O)CCl	322933921	OBIPNEJWPHQNBE-RXMQYKEDSA-N	228.701	-0.373	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	379746497	CCZUVCLVHBGWQT-LVGGVBNSSA-N	239.319	-0.544	50	10	BBGE	
N#Cc1cccn1Cc1nc(C(=O)NN)co1	386791397	MZCDTHIAUJVOBH-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CCN(CCO)CCC(C)(C)C(=O)NN	395637878	TVSFBCHGECBDDA-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
CN1CC2(CCN(CCC(=O)NN)C2)C1	398757443	UMIDIPOEYJYLDI-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
NNC(=O)c1occc1CSCCC(N)=O	399191039	ZARMVHJIPLQYNO-UHFFFAOYSA-N	243.288	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401711487	UESZFTTVNRUOJN-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
Cc1nocc1C(=O)Nc1ccccc1B(O)O	404910656	IZAWJBGGLITKIT-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H](C)CO	688395149	MYFWIPSCJUNIEP-BDAKNGLRSA-N	217.313	-0.439	50	10	BBGE	
C[C@H]1CCCN(CCCC(=O)NN)[C@H]1CO	688735988	HGLBVAPKTPVGAI-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](COC)OC	691288282	UOJJWXPZLGFMDB-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CO[C@H](C(=O)Nc1ccc(B(O)O)cc1)C1CC1	692714415	GNWPBIYYOVYSJF-NSHDSACASA-N	249.075	-0.270	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C(=O)OCCl)C1	692862608	CUQVWEBFDJOPQP-SSDOTTSWSA-N	222.628	-0.759	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C(=O)OCCl)C1	692862609	CUQVWEBFDJOPQP-ZETCQYMHSA-N	222.628	-0.759	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](C#N)C1	693907656	OHWDMDJVJIABCQ-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](NC(=O)CCCCl)[C@@H](O)CO	698872636	MDIXPNNWGWVODJ-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCc2ccccc2O1	700277958	KXNMWBBTAKZRGC-SECBINFHSA-N	249.270	-0.514	50	10	BBGE	
COC[C@H](O[C@H]1COC[C@@H]1C)C(=O)NN	703546456	VEVDRXPTOQKELW-FXQIFTODSA-N	218.253	-0.957	50	10	BBGE	
OB(O)c1cnn(Cc2cc(F)cc(F)c2)c1	703673504	XANXETJCBQDIBM-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1[C@H](C)CCC(=O)NN	706207429	ONRXRHZNKNVWST-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1CC12CC2	707798505	BYHYBOJODHNFMO-NSHDSACASA-N	245.087	-0.217	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCC[C@@H]1O	708514835	WLIMRRWXCTZFQL-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	719807126	NDWWBFXQJOQWNS-CSMHCCOUSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNC(=O)C(C)(C)O	768245597	CSHDTNWCUIWXEV-SFYZADRCSA-N	244.291	-0.423	50	10	BBGE	
COCCN(C)NC(=O)[C@H](O)C1CCC1	837627688	ZKBXAQPVGWOZMH-SECBINFHSA-N	216.281	-0.243	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CN1CCCC1=O	862505584	QFHDXSIZWQNDID-UHFFFAOYSA-N	248.286	-0.123	50	10	BBGE	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(N)=O	1296263859	FFBCDIWHXWSTBU-FHYFFISESA-N	247.258	-0.683	50	10	BBGE	
CNC(=O)C1(C(=O)NNc2ccn(C)n2)CC1	1306835144	BYFMBURSYOELBA-UHFFFAOYSA-N	237.263	-0.611	50	10	BBGE	
CCn1ncc(C(=O)NNc2ccncn2)n1	1328606957	SRVPKZYOIDPDJB-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CCNC(=O)NNC(=O)c1ncccc1N	1543985087	CFSILIXHZFPYNB-UHFFFAOYSA-N	223.236	-0.372	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)C(N)=O	1566497069	IXYHICFOVZDEBA-LURJTMIESA-N	200.242	-0.878	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cn(C)nc1Cl	1583713035	WRTRYEKVAPSOQJ-UHFFFAOYSA-N	245.670	-0.011	50	10	BBGE	
CN(NC(=O)c1cnc2n1CCOC2)C(N)=O	1630878063	MHGPETMGHZPOHW-UHFFFAOYSA-N	239.235	-0.931	50	10	BBGE	
O=C(NNc1cccnn1)c1n[nH]cc1[N+](=O)[O-]	1637052285	JZLMDGBDBPCFJG-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
O[C@H]1CN(CCOCCCl)CC[C@H]1O	1887705857	ZVSHUGITUNPCDX-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CS(=O)(=O)N[C@@H](CBr)C(=O)O	1892036975	WPRRQSHRHPSOSE-VKHMYHEASA-N	246.082	-0.616	50	10	BBGE	
NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2Cl)CCO1	1893453357	MMIBZPHWDGLZEO-CSMHCCOUSA-N	218.684	-0.200	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CC[C@@H]2O)C1	1895797087	VVWSQXZNDFFKOL-YIZRAAEISA-N	225.292	-0.931	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2COCC[C@@H]21	1896908361	ZYNFOJBVTXSPRF-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2C)oc1B(O)O	1899933997	FFMMDVZOSNBGJO-SSDOTTSWSA-N	223.037	-0.498	50	10	BBGE	
C[C@@H](SCCOC1CNC1)C(=O)NN	1900433307	FHKRLWBLFXSCRF-ZCFIWIBFSA-N	219.310	-0.914	50	10	BBGE	
C[C@H](CO)Nc1ccc(B(O)O)cc1C#N	1901205266	UMYXGSDRLHVHIU-SSDOTTSWSA-N	220.037	-0.969	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)NN(C)S(C)(=O)=O	1901359648	NAVJCCMUIXKYFI-UHFFFAOYSA-N	246.292	-0.437	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)C1CC(O)C1	1901751874	JHDYYDOLYSYTFJ-XNWIYYODSA-N	229.324	-0.010	50	10	BBGE	
CCOC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1	1902514807	YEQHZHFUSQHZQS-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
NNC(=O)COCCOC1CC=CC1	1913341485	IMJDARVLJVIJDQ-UHFFFAOYSA-N	200.238	-0.272	50	10	BBGE	
CC(C)[C@@H](N=S(C)(C)=O)C(=O)NN	1913515001	WQMTXSUTDFPBAQ-ZCFIWIBFSA-N	207.299	-0.272	50	10	BBGE	
CC[C@H](N=[S@@](C)(=O)CC)C(=O)NN	1913888683	QYZURCTVYDKNNA-IYQDAUBNSA-N	207.299	-0.127	50	10	BBGE	
C[C@@]1(Br)C[C@H]1C(=O)NCB(O)O	1923746627	KNVLNEVPMPRKMC-UJURSFKZSA-N	235.874	-0.712	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H]2C1	1927920229	UZFIDIVEAZPQQV-AATLWQCWSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCO2)O1	1928677256	WORYBDUVVUVSQU-JGVFFNPUSA-N	215.253	-0.839	50	10	BBGE	
CN(CCOCCCl)CC(CO)CO	1930664784	DMAFCPAUFAZCOM-UHFFFAOYSA-N	225.716	-0.226	50	10	BBGE	
O=S(=O)(CCl)NC1(c2nn[nH]n2)CC1	1931222150	JZNZFNJLQWBQFI-UHFFFAOYSA-N	237.672	-0.696	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2COC[C@H]2O)C1=O	1931728992	AIHGZGXKWOGIFT-BHNWBGBOSA-N	219.668	-0.167	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1CNC[C@@H](O)C1	1934301977	AYKSAFWOWCXFMO-WDSKDSINSA-N	241.118	-0.123	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1936091206	LPIGAACAMGKFPF-XSPKLOCKSA-N	225.292	-0.273	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCCS1	1936529215	KWTMJFMXRRVXDT-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1csnn1	1937711376	UOROPXMVYYAALV-MRVPVSSYSA-N	243.336	-0.016	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]2(CCO2)C1	1938672522	CHFNMBZYYPTONX-NGZCFLSTSA-N	225.292	-0.523	50	10	BBGE	
CC1(C)CCO[C@@H]1Cn1ccc(B(O)O)n1	1939294338	GROBXKPYGASHFY-MRVPVSSYSA-N	224.069	-0.622	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@@H]2C1=O	1940089193	ZNYXCPMORTYNHC-LURQLKTLSA-N	223.276	-0.519	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1C(=O)N(C)C	1940292280	VCCIHFBJKKTGSN-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2OCC[C@@H]2C1	1940889392	CHZAORLGRQFEPS-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
CCC(CC)N(CCO)CCOCC(=O)NN	1941776990	VPLZXAKJZPYOPF-UHFFFAOYSA-N	247.339	-0.524	50	10	BBGE	
N#CC1(O)CCN(CC[C@@H]2CNCCO2)CC1	1942975516	BEOYPRQFGKKFSF-LLVKDONJSA-N	239.319	-0.285	50	10	BBGE	
COC[C@H]1CN(CCC(=O)NN)C[C@@H]1COC	1944295092	FLHVJIYEPBJQBU-NXEZZACHSA-N	245.323	-0.793	50	10	BBGE	
C#CCC1CCN(CC(=O)NNC(C)=O)CC1	1945495775	KDXBDFMCGGBPLV-UHFFFAOYSA-N	237.303	-0.111	50	10	BBGE	
N#C[C@H](O)[C@H](N)[C@H](O)Cc1ccccc1	1952903685	GIUXOWHDQGOIIY-OUAUKWLOSA-N	206.245	-0.198	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](CF)C1	1956917035	DHTQJPCLAIKMFY-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CN(C)C[C@H]1O	1957319030	RJEYWWPJXCOFMO-BWZBUEFSSA-N	220.700	-0.205	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]21)C(=O)C(=O)NN	1957993876	DLDITMMINBKSJW-FXQIFTODSA-N	211.265	-0.519	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(CCC(=O)NN)C1	1958494962	OWHQITNNSCRRMK-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1958805141	PYGVIVQWLFTYCN-QVWMKHDWSA-N	233.695	-0.044	50	10	BBGE	
CN(C)[S@](C)(=O)=NCC(F)(F)C(=O)NN	1960619544	ZPHLJKKNAMWYPN-OAHLLOKOSA-N	244.267	-0.814	50	10	BBGE	
COC(=O)N[C@H](C)c1cc(B(O)O)cs1	1974923552	RJENJIGMJPMINW-RXMQYKEDSA-N	229.066	-0.155	50	10	BBGE	
CCCCOC(=O)N[C@H](CB(O)O)C(=O)O	1976980432	XUFPGNYHIIGWCP-ZCFIWIBFSA-N	233.029	-0.561	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H](O)C(C)C	1979787033	LRPMCCLHOHBHRA-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CCOCC1CCN(C(=O)C(=O)NN)CC1	1980743246	HMHOIMSYWWVUHO-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1ncccc1B(O)O	1981424847	ZIKKFUIUXZSYBE-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cncc(C#N)c1	1982309199	ABTHZQCULLTTMW-UHFFFAOYSA-N	240.244	-0.717	50	10	BBGE	
C[C@H]1CCN([C@H](C)CC(=O)NN)C[C@]1(C)O	1989512461	VCSXYPOCWXGIPE-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
C=C(CN(C)C1CC(S(C)(=O)=O)C1)B(O)O	1992154328	XFZWURZNNPHVTL-UHFFFAOYSA-N	247.125	-0.938	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NCC#CB(O)O	1992166902	ANNYGAUJPDEBTN-UHFFFAOYSA-N	227.069	-0.678	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COC[C@@H]21	1992337515	ITAVVBBKQSEPOC-RQJHMYQMSA-N	235.234	-0.668	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(CCOCC(=O)NN)C2	1995636924	CUTMDKWUAFWOPG-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
Cc1nc2n(n1)CCN(C[C@@H](C)C(=O)NN)C2	2003930748	MVZSNPNQLIFEKM-SSDOTTSWSA-N	238.295	-0.972	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1	2004395053	XRKWSGICKIHDJG-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
CN(Cc1ccns1)c1ccncc1B(O)O	2004928336	CZSXBWIQFFMIMT-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H](CF)C1	2004934194	COHBLUVFNXLDKV-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
CCc1cnn(-c2ncc(B(O)O)c(C)n2)c1	2005009398	MSKCWKJZZQTZOE-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@@H](F)C2)c(B(O)O)c1	2005014167	HQOGGOGEDMNLAL-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012901170	YXBCBFUKJFJGNS-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CN1CCCC12CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2013602697	UOCKZSUQDGBPLC-ZJUUUORDSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](CN(C)C[C@]12CCOC[C@@H]1C2)C(=O)NN	2018566079	XCTVFRWONPNJGF-JFGNBEQYSA-N	241.335	-0.029	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2CCC=C2B(O)O)CCCO1	2020060404	BDJJAOWYDPKIKY-MWLCHTKSSA-N	239.080	-0.228	50	10	BBGE	
Cc1ccc(O)c(C(=O)NCC#CB(O)O)c1	2021165603	YCSHJFRUDSLRTQ-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021435522	KHVVFGMYBBKNDH-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)Nc2ncc(B(O)O)cn2)C1	2040762294	BAMRBQZJMSJSQG-SFYZADRCSA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1ccc(N2CC3(CC=CCO3)C2)nc1	2052466735	KFPFDDWTSKQURP-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)n1	2052558911	GRHYVMBLXBSNJC-BFLSOPEQSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(F)c1	2052621097	BURFMDZGGBPGFJ-CNABLZDZSA-N	248.066	-0.255	50	10	BBGE	
CCOc1ccc(F)c(B(O)O)c1OC	2060113569	OKBFAIQJGAOYFH-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1CC=CC1	2084680019	VSRNRTRICCHIAR-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
Cc1ccnnc1C(=O)N1CC[C@@H](B(O)O)C1	2208732571	WLOFQNBACBYURF-MRVPVSSYSA-N	235.052	-0.526	50	10	BBGE	
Cn1cn[nH]c1=N[C@@H]1COC[C@H]1Cl	2209296234	QDCYRYQCGVXYJT-PHDIDXHHSA-N	202.645	-0.345	50	10	BBGE	
CN(C)CCCSc1ncc(B(O)O)cn1	2212599692	MMSQBYRFAACYTH-UHFFFAOYSA-N	241.125	-0.800	50	10	BBGE	
CC1(O)CCN(C[C@H]2CC[C@H]2C(=O)NN)CC1	2215775243	GIYYDEOLHAXODH-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN1CC2(CCN2CCC(C)(C)C(=O)NN)C1	2216608832	XDLQKQTWPUXTSZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncon1	2217172466	KFAZOALSXVPJTA-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)C[C@H]1F	2217180298	GQCCHAGNPBKPJA-POYBYMJQSA-N	242.034	-0.305	50	10	BBGE	
CC1(C)C[C@@H](N)[C@H]1Oc1ncccc1B(O)O	2217187400	YBBFKVQEDFVHAT-RKDXNWHRSA-N	236.080	-0.734	50	10	BBGE	
CC[C@@]1(Nc2ncc(B(O)O)cn2)CCOC1	2217198287	ZEYFIJIACGKLRB-SNVBAGLBSA-N	237.068	-0.863	50	10	BBGE	
C[C@@H]1COCC[C@H]1Nc1cc(B(O)O)ccn1	2217205343	XNPXCPNDTCIFCP-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)OC(=O)N(CCCCC(=O)NN)C1=O	2217468943	GFVQBBDPJKQLKE-UHFFFAOYSA-N	243.263	-0.096	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3OCCC[C@H]32)nc1	2223669019	FGFDONSAGKCSHU-AEJSXWLSSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CC3(CC3)CN2)nc1	2223669067	FRJFEBGDBIXCRC-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3CCCCN[C@H]32)c1	2223670642	AWEGIEPASXUSMB-YUSALJHKSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(c2ncccc2B(O)O)C1	2223675803	YYIBAUUITUGTAK-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
C#C[C@H]1CCN1S(=O)(=O)N1CC(Cl)C1	2241353666	KOMNCBYZFCCLDV-QMMMGPOBSA-N	234.708	-0.138	50	10	BBGE	
CCn1c(=O)cc(O)n(CCCl)c1=O	2241380105	WYHAATYHFQVJNP-UHFFFAOYSA-N	218.640	-0.026	50	10	BBGE	
CC[C@H](O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243348175	UVUBDPVJXANZLG-YUMQZZPRSA-N	229.085	-0.341	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1nscc1B(O)O	2243348576	ZTJCRROTRVELRQ-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1csc(B(O)O)c1	2243349166	HCZJZUYAUVSPME-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
C=C(CCN)CNC(=O)C1(B(O)O)CCC1	2243363288	DNPYZLBMPNTOEU-UHFFFAOYSA-N	226.085	-0.595	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCN1C	2243364370	WARQLGUMLGYZRZ-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)C1(B(O)O)CCC1	2243364936	FLCMWKXVVDISBX-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
O=C(N1O[C@H]2C=C[C@H]1C2)C1(B(O)O)CCC1	2243397489	CFHSFYNDAZWWAD-YUMQZZPRSA-N	223.037	-0.146	50	10	BBGE	
COC[C@]1(C)CCCN1C(=O)C#CB(O)O	2243398672	GQPRXJXGHLPHTL-JTQLQIEISA-N	225.053	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]2CC[C@H]21	2243399065	JRNPZDPCMPVJOX-OPRDCNLKSA-N	221.065	-0.303	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CCCCO1	2243406692	CTEZDZHERAAZSL-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
CCN(C(=O)c1coc(B(O)O)c1)C1CC1	2243408660	RHSQPNSEKPQBCU-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CN1CC(CN(C)C(=O)C2(B(O)O)CC2)C1	2243409134	BQLWVRQRVMJJFF-UHFFFAOYSA-N	226.085	-0.987	50	10	BBGE	
CCN(O)C(=O)c1ccc(C)cc1B(O)O	2243409945	RTUJWQFHNYRWID-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C(F)F	2243411503	UZYLXKIYTHJFAS-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243425911	CRQDJCQHXGLUCC-RNJXMRFFSA-N	227.069	-0.610	50	10	BBGE	
CCC(CC)(CN)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427236	SCBBMIIJAWUCAV-YUMQZZPRSA-N	228.101	-0.517	50	10	BBGE	
C#CC(=O)Nc1ccc(B(O)O)c(F)c1F	2243679263	VKFJCUHZHAAXON-UHFFFAOYSA-N	224.959	-0.784	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@@H]1Cl	2243696999	GFIGVHQLDIATIF-XPUUQOCRSA-N	239.467	-0.068	50	10	BBGE	
O=C(NCCC1CC1)c1cocc1B(O)O	2244205103	FWUHRWYTFUKUCX-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1COC2(COC2)C1	2244361444	WUDAWQSAYIRTFL-QOHHWTFISA-N	245.662	-0.018	50	10	BBGE	
OB(O)c1cccc(OCC[C@H]2CCO2)c1	2246164974	NUDXJLYKYMXTFV-SNVBAGLBSA-N	222.049	-0.076	50	10	BBGE	
CC(C)(CCF)NC(=O)c1coc(B(O)O)c1	2247731914	ANJZATRKXFZYQA-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
Cc1nnc(CNC(=O)C2(B(O)O)CCC2)o1	2247733145	MTYGZMGZHGTYOT-UHFFFAOYSA-N	239.040	-0.609	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247742256	MOVIQJAISZGPKV-GJMOJQLCSA-N	237.064	-0.266	50	10	BBGE	
CCN(CCC#N)C(=O)c1cc(B(O)O)c[nH]1	2247743789	JGAPOYANRHVLTO-UHFFFAOYSA-N	235.052	-0.930	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)CC1	2247748167	YZRRMWYGVWWICN-VIFPVBQESA-N	234.064	-0.467	50	10	BBGE	
O=C(N1CC[C@@H]2OCC[C@H]2C1)C1(B(O)O)CC1	2247758891	YICSLLUQHSGGBD-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
O=C(NCc1ccncc1)[C@H]1C[C@@H](B(O)O)C1	2247785379	JZGFZYUDPZXVBH-AOOOYVTPSA-N	234.064	-0.049	50	10	BBGE	
CCn1ccnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247793369	XJXDJMYRMQPVLK-HTQZYQBOSA-N	237.068	-0.618	50	10	BBGE	
O=C(Nc1cncnc1)c1cc(B(O)O)cs1	2247795011	BDJFUWFNZBULIC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247799141	AALQEZTZEUZREM-WOOKNIGNSA-N	241.096	-0.125	50	10	BBGE	
CCc1cnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247805741	KWJZAJXHOWLOOJ-SFYZADRCSA-N	237.068	-0.549	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2NCC[C@@H]21	2247809253	YOGFKKXFVOXEJP-KATARQTJSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@H]1F)C1CC(B(O)O)C1	2247809468	PIFDVPWDGFELGU-YNTFGVKOSA-N	245.059	-0.517	50	10	BBGE	
CC(C)[C@@H](O)CCNC(=O)C1CC(B(O)O)C1	2247893114	MKMPHPDILCQLJQ-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)[C@H]1C[C@H](B(O)O)C1	2247897123	OFRBKBIIQPJZCZ-RXKWGBCNSA-N	239.080	-0.467	50	10	BBGE	
NCC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899174	LCEZXDIEKGMSIH-GUBZILKMSA-N	240.112	-0.563	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248590126	ZIJIOLQASXMQNG-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)CC1COC1	2248984812	HTRWLUSXQDVXEN-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
CN1CC[C@H](CN2CCC(B(O)O)CC2)C1=O	2249353899	JYHBVWCEKRHSLZ-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]1CF	2249412602	YDIHCGGFGGROJG-MRVPVSSYSA-N	241.027	-0.467	50	10	BBGE	
C#CC1CC(N)(C(=O)N2CCC(O)(C#N)CC2)C1	2255321553	YGJHDGIJXJJUND-UHFFFAOYSA-N	247.298	-0.396	50	10	BBGE	
CN(Cc1ncoc1C1CC1)C(=O)C#CB(O)O	2255464284	UKXSOGOSDJHGJW-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)cc1F	2255498491	SFOVMBUFUKOEMZ-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2255523454	RUXQYMWMFWCYBF-SCZZXKLOSA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1n[nH]cc1B(O)O	2255549850	YMMKCNUAUKYYLE-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ccncc1B(O)O	2255729138	QGHNUEWRFBQFTM-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(C)cc2B(O)O)C1	2255731056	ZEBQZUMKSISHOW-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
CC1(NC(=O)c2nccnc2B(O)O)CCCC1	2256068656	DEBGNZFMDCCJRC-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1occc1B(O)O	2257072592	VYXXHLVRCHUYNT-JGVFFNPUSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1cc(B(O)O)co1	2258121476	PGOYAIVBKFGTPK-OYJQVNGESA-N	247.059	-0.656	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2298168132	OPBMCGUQPPLJCW-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298371075	YQSVKWWNHCLFHF-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](CCCNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463698	VFGSPTVVBSJZDH-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
CC(C)(COc1ncc(B(O)O)cn1)C(F)F	2299895818	ADIDRDLMAWLIKF-UHFFFAOYSA-N	246.022	-0.174	50	10	BBGE	
CNC(=O)CN(C)CCC[C@@H]1C[C@@H]1C(=O)NN	2300371908	NTGIFUSAMPNHHZ-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
CC[C@](C)(Cn1ccc(C(N)=O)n1)C(=O)NN	2303436353	ARDSYVCLZWBBCH-SNVBAGLBSA-N	239.279	-0.612	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1n[nH]cc1B(O)O	2312856286	CKWJFJBUXFSQQL-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(B(O)O)co1	2313186414	IGOHXEHYSIPKHK-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317165253	IVGXDSKRXSQMLC-KCJUWKMLSA-N	246.075	-0.173	50	10	BBGE	
COC(=O)[C@@H]1CC/C(=C(\C#N)C(N)=O)N1	34076788	HJAUVRLQETVNDT-RBSILHGTSA-N	209.205	-0.826	50	10	BBGE	
Cc1cccc(OCC(=O)NN=C(N)N)c1	39186728	VATCZDRLTBRKJT-UHFFFAOYSA-N	222.248	-0.322	50	10	BBGE	
Cc1cn(CCC(=O)NN)nc1[N+](=O)[O-]	69760522	IWVPNWLNRUBEMW-UHFFFAOYSA-N	213.197	-0.520	50	10	BBGE	
N[C@@H](C(=O)O)[C@@H](Br)C(=O)O	75621042	MCPPBWSVIISNCP-JCYAYHJZSA-N	211.999	-0.754	50	10	BBGE	
Cn1nc(-c2ccncc2)cc(C(=O)NN)c1=O	77066618	AVPTZFZCDCYPOY-UHFFFAOYSA-N	245.242	-0.554	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CN)C1	82468099	RYQXTWIJDMXIGT-RKDXNWHRSA-N	214.313	-0.719	50	10	BBGE	
Cn1c(C(=O)NNC(N)=S)ccc1[N+](=O)[O-]	83590770	NHMCCDZQMDTVTC-UHFFFAOYSA-N	243.248	-0.589	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(N)C2	104022275	WOGWHTXHEZZWPE-UWVGGRQHSA-N	240.307	-0.892	50	10	BBGE	
C[C@@H](CN1CCC(CC(N)=O)CC1)C(=O)NN	104120167	LKRHCUFSVAZKHC-QMMMGPOBSA-N	242.323	-0.800	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C(C)=O)CC1	110589381	KLLFOFIFPKXKIC-JTQLQIEISA-N	242.323	-0.691	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H](C)N1C	127931582	SMFRIUIREFEDRD-AOOOYVTPSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@@H]1O	158247759	CKUTVNOOQCUAOQ-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
CC(C)CNC(=O)CN(C)C(=O)NN	163086003	RFNVBQGQAQJABO-UHFFFAOYSA-N	202.258	-0.726	50	10	BBGE	
COC(=O)NS(=O)(=O)NCCCl	168535538	FMRGTDHDOBDSAE-UHFFFAOYSA-N	216.646	-0.584	50	10	BBGE	
O=C=NCNC(=O)NCCc1cnc[nH]1	170294034	GVPQFDDQKJYPJC-UHFFFAOYSA-N	209.209	-0.455	50	10	BBGE	
O=C=NCNC(=O)NC1=NCCS1	170294069	CXQOOMAZLIUPMW-UHFFFAOYSA-N	200.223	-0.318	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H](CO)CC(=O)O	170312638	OFTGQXASAZVRBT-PHDIDXHHSA-N	223.656	-0.187	50	10	BBGE	
CN(CB(O)O)C(=S)[C@H]1CCCN1	198299656	XQZIZUNFTKDBIR-ZCFIWIBFSA-N	202.088	-0.990	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)CCO1	199005986	UQQCOPATWGRDLQ-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)C[C@H](C)O1	199014107	CPSBSQKHPTYMMS-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
COCCOCCCO[C@@H](C)C(=O)NN	234794709	RKPPOOVOCSOORV-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
OB(O)c1cncc(Br)c1F	238635953	YJCPRGQSYCVVEG-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
OB(O)c1ccnc(-c2ccncc2)c1	238651713	OYYORYHCCOGCAR-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)[C@H](C)COC	251062479	COOVZTCWPMSKLP-NXEZZACHSA-N	247.339	-0.404	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NCC(=O)OC	254998012	JZECVSRZPOJWQM-ALCCZGGFSA-N	212.205	-0.280	50	10	BBGE	
CN(C)NC(=O)c1cc([N+](=O)[O-])ncc1N	300730848	DMCDSDYBYVIGQN-UHFFFAOYSA-N	225.208	-0.222	50	10	BBGE	
O=[N+]([O-])c1c(F)cc(B(O)O)cc1F	306874700	FCTCDULNGHQRSW-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
CSc1cc2nc[nH]c2cc1B(O)O	307287975	AHJJSUWTRXCWAI-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
COC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	379583951	NSGUKGVLRNBFAA-BQBZGAKWSA-N	201.270	-0.669	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](C)[C@@H]1C	380351026	YXHGGCPBCALAFN-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
COC[C@@H](SC(C)(C)CO)C(=O)NN	381901567	VGJZLUKNLRBTKH-ZCFIWIBFSA-N	222.310	-0.505	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@H](C)CCC(=O)NN)C1	383728253	WKNGUEVPZVRTCG-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)[C@H](C)C(=O)NN	384683860	AYBHTYNYRGWPGE-HXFLIBJXSA-N	215.297	-0.138	50	10	BBGE	
N#CCCc1ccc(CC(=O)O)cc1B(O)O	396133136	OVBLGBIJGYINNP-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1cc2c(B(O)O)cc(CO)cc2s1	396217340	IBOFUDGNSRXDQH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H](CC(=O)NN)SC[C@@H]1CN(C)CCO1	400784306	QUDVRLLLFYXCKV-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CSCC(=O)NCc1cccc(B(O)O)c1	404906275	DEEGZJYJFYCMBS-UHFFFAOYSA-N	239.105	-0.654	50	10	BBGE	
OB(O)c1cnn(CCc2ccccn2)c1	694486692	HGKYKVMFIFMKAQ-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
CO[C@H]1CCC[C@@H](n2cc(B(O)O)cn2)C1	694486973	IWTLRRRFUWLHKV-ZJUUUORDSA-N	224.069	-0.307	50	10	BBGE	
COC[C@H](O[C@@H]1COC[C@@H]1C)C(=O)NN	703546468	VEVDRXPTOQKELW-RNJXMRFFSA-N	218.253	-0.957	50	10	BBGE	
OB(O)c1ccn(Cc2cncc(F)c2)n1	703706595	AKUUQHDQRPEWOV-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
NNC(=O)N1CC[C@]2(CCCS2(=O)=O)C1	709235993	FRGPVIXGVYBWTO-MRVPVSSYSA-N	233.293	-0.777	50	10	BBGE	
NNC(=O)C(=O)N1CCC(C2CC2)CC1	724801107	VTGSZWRDVNCBCJ-UHFFFAOYSA-N	211.265	-0.375	50	10	BBGE	
CN(C[C]1C=C(B(O)O)CS1)[S@](C)=O	725698344	WFFWYEYCLYWKDR-AWEZNQCLSA-N	234.131	-0.571	50	10	BBGE	
O=C(/C=C\c1ccco1)NNC(=O)c1cnn[nH]1	729455719	VTHZPBMVRJAMDU-ARJAWSKDSA-N	247.214	-0.128	50	10	BBGE	
CCC(=O)N[C@H](C)C(=O)NNC(=O)NC(C)C	745139197	BGHYHCAUPCAEDF-SSDOTTSWSA-N	244.295	-0.360	50	10	BBGE	
N#Cc1ccc(NNC(=O)CNC(N)=O)cc1	749267483	BKBRBNBJMHLFEY-UHFFFAOYSA-N	233.231	-0.330	50	10	BBGE	
CC1(C)CC[C@@H]1C(=O)NNC(=O)CO	857168938	DGWRDIKFPVAFQD-ZCFIWIBFSA-N	200.238	-0.438	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cn(C)nn1	1328757353	FRWQHRSXLBWAQT-UHFFFAOYSA-N	241.251	-0.999	50	10	BBGE	
Cn1cc(C(=O)NNc2ncccn2)nc1O	1464017934	NRZNGSZMGRDTLX-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
CC[C@H](C(=O)NNc1nc[nH]n1)N(C)C	1611410453	DNZCNMBCIHNJEL-ZCFIWIBFSA-N	212.257	-0.412	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1O)[C@H]1C[C@@H]1Cl	1877521632	VHNJHKXOYCNJGR-RULNZFCNSA-N	218.684	-0.547	50	10	BBGE	
CNNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C	1879958738	WSMZMWODHQZYMI-ZCFIWIBFSA-N	233.268	-0.877	50	10	BBGE	
C[C@@H](CCl)NC(=O)[C@@H]1CCS1(=O)=O	1881856274	PMZIXGAVQHCJQO-WDSKDSINSA-N	225.697	-0.083	50	10	BBGE	
O=C(O)CS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883563477	LHKURMUJMWETCK-CRCLSJGQSA-N	227.669	-0.382	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1CC(=O)NC1=O	1884194971	BSEFTKBILXIZBR-IUYQGCFVSA-N	249.064	-0.699	50	10	BBGE	
CS[C@H](C)C(=O)NN(C)S(C)(=O)=O	1888598237	DJHVWXMRPKPMEN-RXMQYKEDSA-N	226.323	-0.340	50	10	BBGE	
CCC[S@](=O)N1CC[C@](C)(B(O)O)C1	1891515997	CNGHOSXYJSHKJT-RTHLEPHNSA-N	219.115	-0.001	50	10	BBGE	
C[C@@H](NC(=O)C1CC(Cl)C1)[C@@H](O)CO	1893474250	GTOBZMXCYQPYQP-CQRKAFIDSA-N	221.684	-0.138	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@@H](O)C#N)cn1	1894483909	MFIXAVSWJDEJRY-DTWKUNHWSA-N	221.216	-0.248	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@@H](O)C[C@H]3C2)CC1	1898237148	IDPVXGOEDQMFRT-YIZRAAEISA-N	225.292	-0.931	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1COC1	1901199410	JGUJNCDMYFUWGS-UHFFFAOYSA-N	218.021	-0.951	50	10	BBGE	
C[C@H]1CN([C@@H](C)CCCC(=O)NN)C[C@@H]1O	1902156050	UOQKFDOJKURYLM-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1[C@H](C)CC(=O)NN	1905541960	FZJXEGDOHVOVSB-SSDOTTSWSA-N	234.259	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](C(F)F)CC1=O	1907367878	IUYARQZYLPKQGK-RRKCRQDMSA-N	247.245	-0.274	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(C3CC3)C2)O1	1908715646	OIWFHFRITLBCRU-MNOVXSKESA-N	239.319	-0.134	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCO[C@H]21	1909497930	RQXADCNWVJJOGA-QXFUBDJGSA-N	213.281	-0.667	50	10	BBGE	
CSCCC(=O)Nc1ncccc1B(O)O	1913662915	HCTUIUMPEBJRAO-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
Cc1nscc1CN(C)CC(=O)NN	1930600961	MPJVATWPXAVZML-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC(C)(C)CO	1931080485	JIVBBGDVPXAUGX-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)C(F)(F)C1	1931821728	XJRXLCBXBFNQAL-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
C[C@H](O[C@H]1COCC[C@H]1C)C(=O)NN	1932290826	OUEYMUUPKVSUSA-CSMHCCOUSA-N	202.254	-0.194	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]1(C)CO	1932967691	PMLILVVBHVRQGL-OYNCUSHFSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccc([N+](=O)[O-])n1	1936081659	AIXHXAJCRZPACU-RITPCOANSA-N	225.208	-0.583	50	10	BBGE	
C[C@]1(CO)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936089500	CWALGVWOSNIOOC-NGZCFLSTSA-N	227.308	-0.683	50	10	BBGE	
CCCNC(=O)CSC[C@H]1C[C@@H]1C(=O)NN	1936093548	FPSJIKJSOPOUAY-SFYZADRCSA-N	245.348	-0.128	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)C2[C@H]3COC[C@H]23)C1	1937202854	JUPIGDBBISLXGU-XSPKLOCKSA-N	244.722	-0.084	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1940523416	HMBIZIVLEGICPS-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1[C@@H](C)CC(=O)NN	1942613065	LMKLYWDBHUFMQO-WEDXCCLWSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCn1ccnc1	1944474479	ALQPRWCBEHYTJP-ZJUUUORDSA-N	239.323	-0.171	50	10	BBGE	
C[C@H](CCl)C(=O)NC1(C(N)=O)CC1	1954430718	RBOJIAJZBDJAKH-RXMQYKEDSA-N	204.657	-0.005	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CCCCO	1958352130	BODLJVFTNJXRPC-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
COC1(C(N)=O)CN(CCOCCCl)C1	1960158868	HETTUWLKOINZCV-UHFFFAOYSA-N	236.699	-0.572	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2C[C@H]2C)n1	1961687478	LZNAYSARNCXBLU-MUWHJKNJSA-N	207.038	-0.143	50	10	BBGE	
Cc1cc(N2CCCO2)ncc1B(O)O	1961717745	FQTMMRKQYMJZMA-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
Cn1cncc1C(=O)N1CCC(B(O)O)CC1	1964499956	DYWBCHTUABOSPR-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)C[C@@H](F)C1	1965809054	URRZMBAAWSBPEF-RITPCOANSA-N	231.676	-0.083	50	10	BBGE	
Cl[C@@H]1CN(CCn2cnnn2)[C@H]2COC[C@H]12	1975949209	YEZXVMZJJOHRON-HLTSFMKQSA-N	243.698	-0.389	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21)C(=O)NN	1976388459	ZHQQMBCMJMPSQH-QVWMKHDWSA-N	223.276	-0.521	50	10	BBGE	
CO[C@@H](C)CCOc1cncc(B(O)O)c1	1979027448	ZUVOHPLUTKOZJA-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2COCC[C@@H]21	1980815628	FYKVHPASPZGGOG-SFYZADRCSA-N	227.264	-0.996	50	10	BBGE	
C[S@@](=O)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	1981209430	WMKHRYPJWOVDRA-ZKANADHPSA-N	247.364	-0.546	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC(O)C2)C1	1981993276	OEJPBYUQEQGRHJ-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H](O)[C@H]2C3)CC1	1983568855	YCKUBSQZFTUXPS-IWSPIJDZSA-N	225.292	-0.788	50	10	BBGE	
C[C@H]1[C@@H](O)CN1c1nc(CCCl)nc(=N)[nH]1	1985742770	MWVCLNXEJSXBBN-WDSKDSINSA-N	243.698	-0.365	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CO[C@H]2C[C@@H]1C2	1986053135	KKIBWSWLBZZGHJ-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2CCOC[C@@H]2C1	1986817454	YGAOHLUXAKBZPO-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](NC(=O)N(C)C)c1cscc1B(O)O	1987174748	IQBXPULJTIBCAC-ZCFIWIBFSA-N	242.109	-0.240	50	10	BBGE	
CO[C@H]1C[C@H]1Cn1nc(C)c(B(O)O)c1C	1987769110	DETAQKZYVFLGEZ-IUCAKERBSA-N	224.069	-0.785	50	10	BBGE	
OB(O)c1cnn(CC2C[C@H]3CC[C@@H]3C2)c1	1988175675	PGLDIKBRENVZIH-NXEZZACHSA-N	220.081	-0.001	50	10	BBGE	
C=C[C@]1(O)CCN([C@@H](C)[C@H](C)C(=O)NN)C1	1990539396	KSPGHCOWHGZIBA-QXEWZRGKSA-N	227.308	-0.376	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc(F)c1	1992168206	WYHGRFRMBUSPET-UHFFFAOYSA-N	220.996	-0.429	50	10	BBGE	
O=C1CN(C2CN(C3CCCC3)C2)CC(=O)O1	2003436280	AUHSJXHLNFVNCV-UHFFFAOYSA-N	238.287	-0.001	50	10	BBGE	
CC[C@@H]1COCCN1c1ncccc1B(O)O	2004936319	XYYROJWANPQJPH-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CON(C)c1ncc(B(O)O)cc1C(F)(F)F	2004971729	VILMJELCAYIJEK-UHFFFAOYSA-N	249.985	-0.222	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(F)(CO)C2)C1	2010834392	CBLOOGWTKPNQBH-IUCAKERBSA-N	245.298	-0.591	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC=CB(O)O)[C@@H]1C	2020055495	BIRPEPZQRIFJAB-RGOKHQFPSA-N	241.096	-0.270	50	10	BBGE	
O=C1CN(Cc2noc(C(F)F)n2)CC(=O)O1	2022048304	GDTXVNHYXRZOAC-UHFFFAOYSA-N	247.157	-0.107	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccccc1B(O)O	2022195871	BZGYYZVEWBDBCH-QMMMGPOBSA-N	241.002	-0.496	50	10	BBGE	
C[C@@]1(CO)COCCN(CCCC(=O)NN)C1	2022238863	QCDCIXTYINSBSB-LLVKDONJSA-N	245.323	-0.913	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2c1ncccc1B(O)O	2058061470	XFZOAWZAZYYXFF-FBIMIBRVSA-N	248.091	-0.625	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)c1cccc(B(O)O)c1	2079011111	ZCGQWVZTFJLYGV-WDEREUQCSA-N	249.075	-0.990	50	10	BBGE	
CC(C)[C@@H](N)COc1ccc(B(O)O)cn1	2212606744	ZFPCUZMXHLEFCM-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2C[C@H]1CO2	2215776986	PZEBCPZSIPEPRX-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216528076	LAHXIUKIBBDTBP-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)[C@@H](C)O1	2217178182	SFLKMXMPFFJJDH-NQMVMOMDSA-N	236.080	-0.261	50	10	BBGE	
Cc1cnc(O[C@@H]2CO[C@@H](C)C2)cc1B(O)O	2217179790	OKHORSILTUSZAW-IUCAKERBSA-N	237.064	-0.374	50	10	BBGE	
CC1(C)CN[C@@H]1CNc1ncccc1B(O)O	2217199227	KWDBUTIMVLNULE-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CN[C@H]2C3)cc1B(O)O	2223640545	MAQYZGFWLDJHQL-INTQDDNPSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCCCN[C@@H]32)c1	2223670643	AWEGIEPASXUSMB-ZMLRMANQSA-N	247.107	-0.686	50	10	BBGE	
C[C@@H](SC[C@@H]1CCCN1)C(=O)NN	2241288394	MHBAPBLBEKCUBG-RQJHMYQMSA-N	203.311	-0.150	50	10	BBGE	
CO[C@H](C)CNS(=O)(=O)N1CC(Cl)C1	2241348881	XATOVQFBVCNXET-ZCFIWIBFSA-N	242.728	-0.221	50	10	BBGE	
O=C(C#CB(O)O)N(CC(F)F)CC(F)F	2243361897	ITLOLJLJXZJDBK-UHFFFAOYSA-N	240.949	-0.639	50	10	BBGE	
CSCC1CCN(C(=O)C#CB(O)O)CC1	2243361925	JEDUXEYQXQRXMI-UHFFFAOYSA-N	241.121	-0.397	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCNC1	2243364253	UAGGOIGHVANOLF-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCNC1	2243380903	ABHRNRQOHGIHBS-YIZRAAEISA-N	226.085	-0.940	50	10	BBGE	
C#CC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2243391964	PVDPEVPKQKXXSH-ZJUUUORDSA-N	221.065	-0.279	50	10	BBGE	
O=C(N[C@H]1CCNC12CC2)C1(B(O)O)CC1	2243397939	LNGRGRJJMNGUMP-ZETCQYMHSA-N	224.069	-0.996	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)C#CB(O)O)C1	2243398045	BAOVMGVSPRKDLQ-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCO1	2243409457	IHEPSYANPBNMQP-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243414475	BNBYHCPSKGIYLN-RNJXMRFFSA-N	229.085	-0.628	50	10	BBGE	
COC[C@]1(C)C[C@H]1CN(C)CCC(=O)NN	2243791456	AUBIOESANNQDNH-ONGXEEELSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1sncc1B(O)O	2244142909	DJIYNVCXRIEDFK-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CC[C@@H](O)CN2)CC1	2246497828	QJHLETBKKNFLFS-GHMZBOCLSA-N	235.287	-0.218	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CC(F)F	2247721949	JJYXZZPSIOHWAF-UHFFFAOYSA-N	247.006	-0.395	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247740509	LUZPBMRRNNBLOD-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247747943	VHHRDOLTBMBQNB-WKEGUHRASA-N	240.043	-0.828	50	10	BBGE	
O=C(N[C@H]1CNCC12CCC2)C1(B(O)O)CC1	2247753928	BDFKNPDYMPOSAC-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1NCC2)C1(B(O)O)CC1	2247756090	MCBFJEIGEOZVLK-LDYMZIIASA-N	238.096	-0.606	50	10	BBGE	
CCCCN(CC(N)=O)C(=O)C1(B(O)O)CC1	2247756722	NIASNPDWDVGGPR-UHFFFAOYSA-N	242.084	-0.893	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1occc1B(O)O	2247757691	RYIHZIVHGKOZIP-SFYZADRCSA-N	241.027	-0.420	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@H]21)C1(B(O)O)CCC1	2247757715	RERCFDSTBMDGGD-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
CC(C)CNC(=O)c1cc(F)ccc1B(O)O	2247759692	VMUHVQWDCLXBOQ-UHFFFAOYSA-N	239.055	-0.109	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247761434	VGZGBSMVVMKMOI-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C(N[C@]12CCCNC[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2247801102	WZKNSJXQZBXHRU-DKIAZLNASA-N	238.096	-0.892	50	10	BBGE	
CC[C@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247803328	AOBVCACPHLZJMS-FXBDTBDDSA-N	240.112	-0.552	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1COC2(CCCC2)C1	2247849442	ZYMSPBMDBSQOPW-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247855777	YAPLUJFLOOMCFC-ZYUZMQFOSA-N	241.096	-0.533	50	10	BBGE	
COC(=O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2247860504	XNRZOEZCRMCDQW-JGVFFNPUSA-N	243.068	-0.741	50	10	BBGE	
C[C@@H](CNC(=O)c1ccoc1B(O)O)C(F)F	2247868774	ICJCPBAIEXPLBK-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)C1(B(O)O)CCC1	2247877413	AMEACULCOGAQLD-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247880245	YJSJRQLAEZMLCU-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CCOC(=O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247892496	BSUANDWTLJHGPW-JECWYVHBSA-N	243.068	-0.693	50	10	BBGE	
CCCn1ccc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247896327	YIRNGYFEAGPTMQ-JGVFFNPUSA-N	237.068	-0.484	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)C1CC(B(O)O)C1	2247910283	OFRBKBIIQPJZCZ-HZUXAKDWSA-N	239.080	-0.467	50	10	BBGE	
CC#CC(=O)N(C)Cc1cccc(B(O)O)c1	2248400740	AMZQBUBYVFLGCG-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
C[C@]1(C(=O)O)C=CCN1C(=O)C1(B(O)O)CC1	2248575679	HDOPASNFVOPHCA-SECBINFHSA-N	239.036	-0.765	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NCCF	2249382618	MZISWLDDSCWXRO-UHFFFAOYSA-N	243.018	-0.487	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1cc(B(O)O)n[nH]1	2250877328	FLEIHGZMDUQKNM-ZETCQYMHSA-N	237.068	-0.969	50	10	BBGE	
O=C(NCc1cccnc1)c1ccc(B(O)O)o1	2255467969	UNIHULHRHRAIEJ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)cn1C1CC1	2255506365	RMZRHOVTXMHXHH-UHFFFAOYSA-N	248.091	-0.239	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1cc(B(O)O)c[nH]1	2257039933	AZDGZJRRSUWJBT-VXNVDRBHSA-N	248.091	-0.435	50	10	BBGE	
C[C@@]1(CO)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165061	AMNPOVOACBMKOK-JBLDHEPKSA-N	241.335	-0.293	50	10	BBGE	
NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370082	NRIIVWIYYQUVGW-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@H]1CCN2CC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2298376109	IIEPBFBCGTUPAY-JLIMGVALSA-N	238.096	-0.940	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCC[C@@H]2C[C@H]12	2298633924	MCBKVPKPDRSIOG-VWYCJHECSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](N)[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2301341965	VANNDINBBJJOTF-HTQZYQBOSA-N	234.064	-0.647	50	10	BBGE	
CC(C)CCNC(=O)CN1CC[C@@H](B(O)O)C1	2303149744	FUCDITKAOCIRLA-SNVBAGLBSA-N	242.128	-0.303	50	10	BBGE	
OB(O)c1cc(N[C@]23COC[C@@H]2C3)ncc1F	2303836999	UNSFMAQCLCYXHC-QUBYGPBYSA-N	238.027	-0.899	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)c(F)cn2)CCOC1	2303852295	KXWPXTPRNMCIDW-JTQLQIEISA-N	241.027	-0.542	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCC1CNC1	2317165344	JXWOQHOTHFKVCB-UHFFFAOYSA-N	245.091	-0.741	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317311510	QLPFALVWOKJBQB-LLVKDONJSA-N	243.071	-0.219	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccncc1	43531458	IKEJJQRQPKZQJQ-LURJTMIESA-N	208.221	-0.751	50	10	BBGE	
CC(=O)NNC(=O)Cn1nnc2ccccc21	48449772	NEIIJFRHHBNQIM-UHFFFAOYSA-N	233.231	-0.401	50	10	BBGE	
COCCN(CCOC)C[C@H](C)C(=O)NN	58862176	LXGGAKJAHYAXPS-VIFPVBQESA-N	233.312	-0.793	50	10	BBGE	
NNC(=O)CN1CC[C@H](N2CCCCC2)C1	82469299	ZMFSYFFGNYJYAP-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCSC1	83590987	UWYWAMYQJSCKLP-BYPYZUCNSA-N	205.308	-0.396	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	84421014	BNXCFSPCRBXLAN-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CN2CCC[C@@H]2CN1CC(=O)NN	86933482	YRUIWDIZLUKDON-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
CC[C@@](N)(CCCCB(O)O)C(=O)O	170185241	ZLWXKAXHGXRCFQ-MRVPVSSYSA-N	203.047	-0.178	50	10	BBGE	
CC(=O)N[C@H](Cc1ccc(F)cc1)B(O)O	195769038	IRDYSTDGVPTYRF-SNVBAGLBSA-N	225.028	-0.115	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)C(=O)NN)C1	230280092	GJULTXVLEOMGSE-VIFPVBQESA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CCO1	252609961	UIRCPNUPLOWHBH-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](O)C1	299906578	HFBDVMUHMXFPKM-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
O=[N+]([O-])c1cc(F)c(B(O)O)c(F)c1	306524095	XDTOXOQZYGBMRK-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NN	307211486	NVXNMKHRVFNPHJ-NKWVEPMBSA-N	245.279	-0.653	50	10	BBGE	
O=C1NC[C@@H]2CCN[C@H]2[C@H]1Br	307757165	KCXRICAXNQJCTA-KVQBGUIXSA-N	219.082	-0.142	50	10	BBGE	
CCCN(CC(=O)NN)[C@H]1CCOC1	308707148	XCFLJMXPVIPFTM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CN1CC[C@H](O)C1(C)C)C(=O)NN	308847972	PZWBUKNYRDVECY-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccncc1=O	314594518	NFOJULISBPQZHA-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@@H](CN1CCN2CC[C@H]1C2)C(=O)NN	381783829	LUSDPGXYRRBZTD-IUCAKERBSA-N	212.297	-0.998	50	10	BBGE	
O=C1OC(=O)c2ccc(B(O)O)c3cccc1c23	382610599	ZTDWCPVVNVPZNU-UHFFFAOYSA-N	241.995	-0.170	50	10	BBGE	
Cn1cc([C@H]2OCC[C@@H]2C(=O)NN)cn1	383811518	AMGZTQSFJYLTGV-JGVFFNPUSA-N	210.237	-0.512	50	10	BBGE	
O=[N+]([O-])c1c(B(O)O)ccc2nc[nH]c12	396095408	FQTUJRUQVYCGMY-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
Cc1cccc(CCC(=O)O)c1B(O)O	396147049	VOZNXNIDAREDLS-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
COCCCCN(C)CCC(=O)NN	397145464	ZZKNKRGHPJYCNR-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
Cc1cccnc1CCNC(=O)C(=O)NN	404719965	JOBOEXYTIWYSBL-UHFFFAOYSA-N	222.248	-0.961	50	10	BBGE	
CCCCC(=O)Nc1cc(B(O)O)ccn1	404996788	YQSULISFZHXNKL-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
Cc1cnoc1C(=O)Nc1ccc(B(O)O)cc1	405005927	PKAJZAFMTBYVAR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COCCCC(=O)Nc1cccc(B(O)O)n1	405011562	UOCFIMXDVKKTOI-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CS(=O)(=O)N1CCN2C[C@H](Cl)C[C@@H]2C1	405262202	JRVFZZIULWUILP-HTQZYQBOSA-N	238.740	-0.057	50	10	BBGE	
CCOC(=O)C(C)(C)[S@@](=O)CC(=O)NN	586372637	DWKWTKGZUUJPKX-HNNXBMFYSA-N	236.293	-0.933	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@]12COC[C@H]1C2	689155836	MNEOXYMYHPAYCF-PRHODGIISA-N	247.059	-0.659	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCC[C@H]1O)C(=O)NN	689840766	IIBWWCSLVRTBLH-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CCO[C@@H]1CNC[C@@H]1C(=O)NN(C)C	690070137	XRDIMFIEUWQHJZ-JGVFFNPUSA-N	201.270	-0.796	50	10	BBGE	
NNC(=O)c1ccccc1CN1CCNC1=O	696372850	ASDBVRDDTKAKAP-UHFFFAOYSA-N	234.259	-0.185	50	10	BBGE	
CC1CN(Cc2ccccc2B(O)O)C1	698563960	LXIKGVKCOYVVRP-UHFFFAOYSA-N	205.066	-0.182	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]3C[C@H]3C2)O1	699268583	JDIRPVWEHNFDFT-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299120	BZLZQMXQYSPUDY-QWRGUYRKSA-N	240.351	-0.219	50	10	BBGE	
CN(N)C(=O)c1ccc(-n2cnnn2)cc1	704636666	ZDWRZXPJNCFMJY-UHFFFAOYSA-N	218.220	-0.392	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCNC(=O)C[C@H]1C	707347418	QUDZOCXMEXRFNO-VGMNWLOBSA-N	242.323	-0.789	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCn1cnnc1	707426556	VMKKAZQFDUSGAW-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
CN(C)NC(=O)NC[C@@]1(C(=O)O)CCCOC1	710375836	CXIKUQQQQRHSSY-JTQLQIEISA-N	245.279	-0.356	50	10	BBGE	
OC[C@H]1CN(C[C@H](O)CCl)CCS1	720001305	STBFPRIPOBLJMK-HTQZYQBOSA-N	225.741	-0.004	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846387698	BSMSSVZKKDYZAB-UYXSQOIJSA-N	237.259	-0.139	50	10	BBGE	
O=C(/C=C\C1CC1)NNC(=O)[C@H]1CCC(=O)N1	862456710	RQAOGSCUFCAFTA-QIUOEGRZSA-N	237.259	-0.621	50	10	BBGE	
CO[C@@H]1COCC[C@@H]1CC(=O)NNC(C)=O	1136043443	CZNHWSKUNCOYKD-RKDXNWHRSA-N	230.264	-0.405	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2nc[nH]n2)nc1	1161421654	KUSLYPGBIHIMIL-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
CC(C)N(C)CC(=O)NNC(=O)c1ncon1	1179588710	OIKCISMZGIJSBH-UHFFFAOYSA-N	241.251	-0.829	50	10	BBGE	
O=C(COCC(F)F)N1CC[C@H](B(O)O)C1	1329215948	SGHXXCBJEGCOPW-LURJTMIESA-N	237.011	-0.657	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCc1ccnn1C	1332629752	ZIZSCHULXXKYIF-VIFPVBQESA-N	240.307	-0.304	50	10	BBGE	
O=C(Cc1ccncc1)NNC(=O)CC1COC1	1587479277	JZOCUPJPOOUEKZ-UHFFFAOYSA-N	249.270	-0.192	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc2nonc2c1	1626582315	KYWJQLCXMXQGGP-UHFFFAOYSA-N	235.203	-0.203	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1ncccn1	1638291064	WGPGWSLBRWAVMV-DUXPYHPUSA-N	236.231	-0.560	50	10	BBGE	
O=C(NNC(=O)c1ncon1)C1=COCCC1	1639765511	OSVXUYWJDIHCBM-UHFFFAOYSA-N	238.203	-0.475	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNc1nc[nH]n1	1654621858	MWNMYKOKNKABPU-RQJHMYQMSA-N	223.236	-0.161	50	10	BBGE	
NC1CN(C(=O)[C@@H]2C[C@H]2Br)C1	1877415182	VWAVKHUXHLRYTD-PHDIDXHHSA-N	219.082	-0.061	50	10	BBGE	
CN(N)C(=O)[C@H](CO)NC(=O)OC(C)(C)C	1879961029	AMTHXDAQICPPBA-LURJTMIESA-N	233.268	-0.796	50	10	BBGE	
N[C@@H](CN[C@H]1C[C@@H](Br)C1)C(=O)O	1880957921	CLVUUIPOTNSSND-JKUQZMGJSA-N	237.097	-0.086	50	10	BBGE	
O=C(NC[C@@H](O)CO)[C@H]1C[C@H]1Br	1881354086	SLUIBFJRBJYPPR-NGJCXOISSA-N	238.081	-0.761	50	10	BBGE	
CN(C[C@@]1(O)CCOC1)C(=O)CCl	1882690651	OVOOQWBDEFVRNE-QMMMGPOBSA-N	207.657	-0.165	50	10	BBGE	
CO[C@H](CN)C(=O)NC[C@H]1C[C@H]1Cl	1883554956	WQKPAXWHAAOFMQ-FSDSQADBSA-N	206.673	-0.296	50	10	BBGE	
CO[C@@H]1C[C@@H](NS(=O)(=O)CCl)C[C@@H]1O	1887066420	LPBKEKCNZCYXMS-LYFYHCNISA-N	243.712	-0.360	50	10	BBGE	
COCONS(=O)(=O)CCOCCCl	1888114823	MLNLYMLOOQZVMA-UHFFFAOYSA-N	247.700	-0.303	50	10	BBGE	
Cn1nccc1S(=O)(=O)NOCCCl	1888307712	HYQQIUKLBHJLNQ-UHFFFAOYSA-N	239.684	-0.131	50	10	BBGE	
C#CCOC(=O)NN(C)S(C)(=O)=O	1888563420	LMKOQZSBQBXQJU-UHFFFAOYSA-N	206.223	-0.848	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)NNC(N)=O	1892662674	URWPPEAQGAUUGB-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
O=C(O)CN(CCO)C(=O)[C@@H]1C[C@H]1Cl	1893470560	UTKJJRMUWVHFQV-PHDIDXHHSA-N	221.640	-0.481	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CCO[C@@H]2C1	1895093735	RIPMHRWPLLRPMA-NKWVEPMBSA-N	235.234	-0.668	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC=C(F)C1	1900455655	VUFRSELRECKXHW-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
CCCOCC(=O)N1CC[C@@](C)(B(O)O)C1	1902517405	IKPCWOHTIYRBEH-SNVBAGLBSA-N	229.085	-0.122	50	10	BBGE	
Cc1ncn(C)c1CN1CC[C@@H](B(O)O)C1	1902552465	YSAJNORUSHIKAE-SECBINFHSA-N	223.085	-0.223	50	10	BBGE	
C=CC1(O)CN(C[C@@](C)(CC)C(=O)NN)C1	1902716323	QRGGXJZEQFPUGU-SNVBAGLBSA-N	227.308	-0.375	50	10	BBGE	
N#C[C@H](Cl)CN1C(=O)C(=O)N[C@H]2CCC[C@@H]21	1902735624	ZBFYAMZFJCQYMI-FXQIFTODSA-N	241.678	-0.003	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1F	1907455736	OJAOUPCZAGMVDM-ZJUUUORDSA-N	237.039	-0.659	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@@H]21	1908330563	XYHBSYODMXQHAG-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@]2(CO)C1	1910386602	AJXURCVVVRGVLB-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)F	1923415165	GTIKXELMKMFCKW-UHFFFAOYSA-N	241.169	-0.779	50	10	BBGE	
COC[C@@H](O[C@@]1(C)CCOC1)C(=O)NN	1928533648	HFLUEARGERYNFY-APPZFPTMSA-N	218.253	-0.813	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2cnn(C)n2)C1	1928756013	QPJBTPGZXGTLAC-DTWKUNHWSA-N	229.715	-0.174	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)NN(C)C	1929115047	JLJCGLQEIXYPOY-ZCFIWIBFSA-N	201.226	-0.209	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1	1934791955	GPRZMESBJTYQLT-RXMQYKEDSA-N	221.207	-0.472	50	10	BBGE	
Cc1cc(B(O)O)sc1CN[S@](C)=O	1935197463	WRQQQJBEFCKUFJ-AWEZNQCLSA-N	233.123	-0.881	50	10	BBGE	
NNC(=O)CCCN1CCOC[C@@H]1C1CC1	1936110397	FJEWSRJLKXSXIF-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
CN1C[C@@H]2CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@H]2C1	1941085427	LVIWCCWUEAUMAC-ZDCRXTMVSA-N	238.335	-0.894	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1C[C@H]1C[C@@H]1C(=O)NN	1941085907	GCFUMZRBDHMIQY-RQJHMYQMSA-N	239.235	-0.274	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1941093136	FJUXGMLLULRLKA-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CCO[C@@H](COCCOCC(=O)NN)C1CC1	1941772406	IVEUHOPZGOMCLI-JTQLQIEISA-N	246.307	-0.175	50	10	BBGE	
CO[C@H](C)CN(CCOCC(=O)NN)C(C)C	1941772424	JARNQMSMNRXDSA-SNVBAGLBSA-N	247.339	-0.262	50	10	BBGE	
CC1(OCCNC(=O)C(=O)NN)CCCCC1	1942187582	AIOVCUBHIQRTQZ-UHFFFAOYSA-N	243.307	-0.168	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1946076862	WFAVXJDLRJHORJ-DTWKUNHWSA-N	244.339	-0.413	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@@H]3C[C@H]32)CC1	1947666571	XORPOVHILPIKSS-IVZWLZJFSA-N	235.287	-0.529	50	10	BBGE	
CN1CCCN(C[C@@H](O)CCl)CC1=O	1956260490	LUSXIKPEBUELLP-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
C[C@@H](CO)N1CCN(C[C@H](O)CCl)CC1	1961173238	AEQOSUWYPCHMNC-VHSXEESVSA-N	236.743	-0.416	50	10	BBGE	
Cc1cc(OCC2CC2)ncc1B(O)O	1961687296	KTXHNHQQFBPNRH-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC(F)(F)F	1975100685	HQJYKTQBELBHDK-UHFFFAOYSA-N	220.943	-0.910	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CN2CC[C@H]1C2)C(=O)NN	1976086669	GLFFAZRBGKIXMK-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
O=C(NCc1sccc1B(O)O)N1CCC1	1977121153	BDWMPZPMWQOVRB-UHFFFAOYSA-N	240.093	-0.657	50	10	BBGE	
NC(=O)[C@@H]1CN(CCCCCl)C[C@@H]1C(N)=O	1978818636	QRUZXRYLTHIXLT-OCAPTIKFSA-N	247.726	-0.476	50	10	BBGE	
C[C@H](CC(=O)NN)N1Cc2cnn(C)c2C1	1980303069	UPYWUWKBGDYVCU-SSDOTTSWSA-N	223.280	-0.496	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2CCC2)n1	1981421652	CPVBGJCFUNPNHT-UHFFFAOYSA-N	222.053	-0.295	50	10	BBGE	
Cc1cc(O[C@@H]2CCOC2)ncc1B(O)O	1981421805	FUCKYJAERXIWNK-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@@H]1C[C@@H]1Cl	1991439729	UWAGQYSOWDYAGL-UWVGGRQHSA-N	245.754	-0.023	50	10	BBGE	
C[C@@]1(CNC(=O)/C=C/C(=O)Cl)CNCCO1	1991705063	ZZVSLFZEJRLJOE-PBKGFPTLSA-N	246.694	-0.197	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cc(F)cn2)n1	1992088887	HUHBMYUTYKLREI-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C=C(CN1CCO[C@H](COCC)C1)B(O)O	1992145657	MYVGIAQXDCEBOW-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
O=C(CCOC1CCC1)NCC#CB(O)O	1992153737	RTOXGVOGDHOSIC-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
CCC1(C(=O)Nc2ccc(B(O)O)cn2)CC1	1996644929	CJYIMXKKMINYES-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CC[C@H](C1CC1)N(C)c1ncncc1B(O)O	2004916916	RJNAMKRHHXFQSE-SNVBAGLBSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC2(CC(O)C2)C1	2005806946	JOKLPLDSHLMKGG-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
COC[C@]1(C)CCN1c1ccc(B(O)O)cn1	2007186889	XDUYYUMCVVUARA-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CC(F)(F)C1	2008843498	ANYBHPLXQZKSTL-UHFFFAOYSA-N	243.018	-0.427	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)[C@@H](C)C1	2019215335	VEYYFPABLWLYFQ-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2CCC=C2B(O)O)CCCO1	2020060399	BDJJAOWYDPKIKY-GXSJLCMTSA-N	239.080	-0.228	50	10	BBGE	
O=C(NCC#CB(O)O)C1(CC(F)F)CCC1	2021157260	JWBDZJIELLDFCJ-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@](C)(CO)C1	2022237082	DJVUWRBKNFSMJW-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3C[C@H]2CO3)c1	2035543791	HLZJFTIYQHOVCI-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1C[C@H]2C[C@@H]2C1	2055741465	UDCNWMIFIHEJFN-RNFRBKRXSA-N	244.063	-0.523	50	10	BBGE	
CCOc1c(C=O)ccc(B(O)O)c1[N+](=O)[O-]	2060146153	LWPWSNKINZWJOK-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
N#Cc1cc(F)c(B(O)O)cc1OC(F)F	2060265762	RMSQFKPXBKQNIO-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2CC2(C)C)ncc1B(O)O	2069481663	ZDGDCHFVZTTYAI-ZETCQYMHSA-N	249.079	-0.551	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC2CC(C2)C1	2079008129	FAYSIUXCDQAJGH-UHFFFAOYSA-N	245.087	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CCC12CC2	2211247665	YZMXGJYCVMMDSV-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)cc1Cl	2211726764	HTDOTZGEZONJRZ-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
Cc1cnc(S[C@@H](C)[C@@H](C)O)cc1B(O)O	2212600945	GMFOMDUTYXTZEO-SFYZADRCSA-N	241.121	-0.069	50	10	BBGE	
CN[C@H](C)COc1cc(B(O)O)c(C)cn1	2212604066	LQRHXBTWKOSKOA-MRVPVSSYSA-N	224.069	-0.943	50	10	BBGE	
OCCC1(Nc2cc(B(O)O)ccn2)CC1	2212604676	YPGLJLYLGREUBP-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
COC[C@H](CF)Nc1ccc(B(O)O)cn1	2212605158	YTBFOBPLTBHEGW-QMMMGPOBSA-N	228.032	-0.842	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]3C2)c1F	2212605885	LKRIBZMRAIXSCX-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
NNC(=O)C1(Cn2cccnc2=O)CCCC1	2216864516	QWPYPXZONBVVII-UHFFFAOYSA-N	236.275	-0.206	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1c1cc(B(O)O)ccn1	2217178448	WEPXKMLJMBNNIO-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
CN(C)C(C)(C)COc1cc(B(O)O)ccn1	2217187934	HNTIGEABPVPXOV-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
NC1(CNc2ccc(B(O)O)cn2)CCCC1	2217198551	CKYBFMSRHNCFLT-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CN[C@H]3CCC[C@@H]32)c1	2223628183	POVULVOIIZLZEG-GARJFASQSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1c1cc(B(O)O)ccn1	2223638095	JANCZFFYEVBEIF-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CNC[C@@H]3C2)nc1	2223641100	PTAZPQFJLJMEJJ-JZYVYDRUSA-N	247.107	-0.829	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1Nc1cc(B(O)O)ccn1	2223665914	GDIXXMJWWXSOHR-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cccnc1N1N[C@H]2CC[C@H]1C21CC1	2223677017	IXMZMKQJLQNYKE-UWVGGRQHSA-N	245.091	-0.603	50	10	BBGE	
C[C@H](c1cscc1B(O)O)N(C)C#N	2241555640	OBIMKPIGODWNTD-ZCFIWIBFSA-N	210.067	-0.098	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)C#CB(O)O)O1	2243349149	GYDVKEJHSFQXOU-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2243356288	FGAGUBCZENWRCZ-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccsc1B(O)O	2243358348	FUOWXDARURBNAR-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C[C@H]21	2243362370	PWSKHYUAYFYMHB-NKWVEPMBSA-N	221.021	-0.806	50	10	BBGE	
C[S@@](=O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396952	SWFKCVCYLSZSQQ-MDZKRCCYSA-N	247.125	-0.876	50	10	BBGE	
CC(C)(C)NC(=O)c1ccncc1B(O)O	2243398735	SWEBAWFWKPLPJW-UHFFFAOYSA-N	222.053	-0.710	50	10	BBGE	
O=C(NC1(C(F)F)COC1)C1(B(O)O)CC1	2243409764	OICXZPYIUMWTNR-UHFFFAOYSA-N	234.995	-0.856	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@]1(C)C[C@@H]1C)B(O)O	2243413109	ZTDCCMXCKNRVRG-IONNQARKSA-N	247.125	-0.480	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1COC2(COC2)C1	2244360285	MTMWNILMLNZZJC-ZCFIWIBFSA-N	248.666	-0.391	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)C(=O)NN)C1CCC1	2244881653	IUZAITUFPUIJBO-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN(CC[C@@H]1CCO1)CC1(C(=O)NN)CC1	2246209146	ISHQMVCJPQMJRB-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247746967	HECYZCPANWCQNT-SECBINFHSA-N	234.064	-0.515	50	10	BBGE	
C=CCNC(=O)c1cc(OC)ccc1B(O)O	2247756344	FYDAOWIWAJEADM-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(F)cc1B(O)O	2247756915	HPYRIYNGWATZPF-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
O=C(NCCC(F)F)c1ncccc1B(O)O	2247772533	WFSJVXWDXVUUAF-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787346	NVRSSFTWSOPRJY-DOLQZWNJSA-N	243.112	-0.237	50	10	BBGE	
COC1(OC)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247793678	ZIRBCHDMKAVKOS-OCAPTIKFSA-N	243.068	-0.929	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)CC1)[C@@H]1C[C@H]1B(O)O	2247800519	PSKDRNVWPJHZOF-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC(F)(F)C1	2247808605	VNOHBABYZZDAKT-RRKCRQDMSA-N	248.038	-0.956	50	10	BBGE	
C#CCC1CN(C(=O)c2ccc(B(O)O)o2)C1	2247848928	SFDABRHSVJSBPN-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2247849383	ZGDXCNBJLZBVBU-RKDXNWHRSA-N	234.064	-0.777	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2247849990	IJPXQWAESHWERL-BQBZGAKWSA-N	248.997	-0.341	50	10	BBGE	
O=C(NC[C@H]1CC=CCO1)C1(B(O)O)CCC1	2247854090	XGDJMYUYFLOIIX-SECBINFHSA-N	239.080	-0.155	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2247866013	FGJQCKLLXVYFFR-JIGDXULJSA-N	235.048	-0.512	50	10	BBGE	
C=C1CON(C(=O)c2cc(B(O)O)oc2C)C1	2247868066	PUXGUJYXOZETJZ-UHFFFAOYSA-N	237.020	-0.789	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247878077	HMFPMJUWDUBLIE-HTQZYQBOSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2247878807	NOBIHDHIHLBUHA-MRVPVSSYSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)C1(B(O)O)CCC1	2247879510	TUZKKOZSXOYMRA-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
CN(C)CC(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2247895164	PIPRICWSSGQHGZ-DTWKUNHWSA-N	242.128	-0.447	50	10	BBGE	
CC(C)(C)[C@H](CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2247895227	QCFZSPHPBZKNRC-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248573469	FHEBVMBGILMXDP-KNVOCYPGSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](C(=O)O)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248587459	PSUOLJOLSOUEFC-UIISKDMLSA-N	241.052	-0.972	50	10	BBGE	
CCC(=O)c1cnn(CCOCC(=O)NN)c1	2250487648	DGHQWIKQNZMTMY-UHFFFAOYSA-N	240.263	-0.518	50	10	BBGE	
C[C@]12CO[C@](COc3ccncc3B(O)O)(C1)C2	2254930657	AFPULZZKEUURQI-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CC[C@H]2C)n1	2255487656	SIYREWGORLGJCK-GMSGAONNSA-N	248.091	-0.402	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@H]2C1	2255493142	VGHRYQBDGUSYLW-DTORHVGOSA-N	248.091	-0.813	50	10	BBGE	
Cc1cnc(C(=O)NCCCC#N)c(B(O)O)c1	2255555575	CSIGFIWQLIJPCG-UHFFFAOYSA-N	247.063	-0.897	50	10	BBGE	
Cc1cc(CCNC(=O)[C@H]2C[C@H]2B(O)O)ccn1	2255571866	SJQXVCHWYFHPHY-WDEREUQCSA-N	248.091	-0.088	50	10	BBGE	
C=C1CCN(C(=O)c2nccc(C)c2B(O)O)C1	2255783447	CNLHCXOUFNYBLE-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1CCCC1	2257490581	DPEADHBBQFNBEZ-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
Cc1ncncc1NC(=O)c1cocc1B(O)O	2258125651	SHWJJNYLQQLZMK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=CCN(OC)C(=O)c1cccc(C)c1B(O)O	2258279275	GUDIGDNZVJDOFR-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
O=C(O)[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298463633	PTPGDCOOGPEVCC-HSNKUXOKSA-N	241.052	-0.781	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCCCO	2301342447	ZCXXKAOIXADFJJ-UHFFFAOYSA-N	234.064	-0.578	50	10	BBGE	
COC[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301421422	ULQSHFYVOBRJDO-MRVPVSSYSA-N	237.064	-0.374	50	10	BBGE	
C[C@H](N)[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301452842	MVVLVIAIVWPKEO-YUMQZZPRSA-N	237.064	-0.707	50	10	BBGE	
C[C@@H](COc1cccnc1C(N)=O)C(=O)NN	2301614171	MUOMMDNIURTOLG-LURJTMIESA-N	238.247	-0.815	50	10	BBGE	
CN1C[C@H](CN2CC[C@](C)(B(O)O)C2)OC1=O	2303131337	ATECKCCZNFQGAU-SCZZXKLOSA-N	242.084	-0.624	50	10	BBGE	
CC(C)(C)NC(=O)CCN1CC[C@H](B(O)O)C1	2303159194	PGFAWYHZLNMWHH-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
CC[C@](C)(CN1C(=O)C[C@@H](C)C1=O)C(=O)NN	2303431972	OWCGQKUKBDIVCH-RDDDGLTNSA-N	241.291	-0.212	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1cccc(B(O)O)n1	2304080633	ACPIYJURHFZGPE-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
C[C@H](CN1CCCN(C2CC2)C1=O)C(=O)NN	2307748712	CHKMJZMHFUWQJY-MRVPVSSYSA-N	240.307	-0.098	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@@H]2CC[C@H]1N2	2312612233	KIERDUMYBWSHDO-ATZCPNFKSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1COCCN1c1ccc(B(O)O)cc1C#N	2317151866	VZVQBVGRGULSRQ-VIFPVBQESA-N	246.075	-0.537	50	10	BBGE	
N#CCC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2317350810	YLQZEQVYVPFIAR-UHFFFAOYSA-N	244.059	-0.471	50	10	BBGE	
C[C@H](O)CNC=C(C#N)C(=O)N1CCOCC1	2318467633	DYIOXGXRMSOONT-VIFPVBQESA-N	239.275	-0.777	50	10	BBGE	
C#Cc1ncccc1Nc1cc(B(O)O)ccn1	2324104400	AWSPUBGJJKELFP-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
N[C@@H](CC(=O)CBr)C(=O)O	13542859	YWQDZLIVCPYGGO-BYPYZUCNSA-N	210.027	-0.248	50	10	BBGE	
C[C@@H](CN(C)C1CCN(C)CC1)C(=O)NN	58853509	HDYNFENNNMRAML-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)NCc1ccncc1	58854538	DVPLKZVZOIIZBQ-MRVPVSSYSA-N	208.265	-0.060	50	10	BBGE	
COCCN(CCC#N)[C@H](C)C(=O)NN	82468787	URMWVUWPKXCAOQ-MRVPVSSYSA-N	214.269	-0.773	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1[C@@H](C)C(=O)NN	82470490	IGFZARUNBVSLSG-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NC[C@@H](O)CO	86551002	WRFDZQIJHXJUJT-RNFRBKRXSA-N	245.728	-0.866	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCNC(=O)C1(C)C	93072274	DLCOMMSENCAHJE-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
Cc1ccc(O[C@H]2CCOC2)c(B(O)O)c1	203528501	DOTVHUJNJCHMBC-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
Cn1ncnc1COc1ccccc1B(O)O	203545122	VPGPNKGKVMWRGV-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CC[C@H](B(O)O)N1CC[C@@](N)(CC)C1=O	207483294	HUOKOGYFAKXCGK-APPZFPTMSA-N	214.074	-0.883	50	10	BBGE	
COc1ncc(OC(F)(F)F)cc1B(O)O	224815149	IDRCDCXIANUJKB-UHFFFAOYSA-N	236.942	-0.331	50	10	BBGE	
O=S(=O)(CCCl)NC[C@]1(O)CCOC1	227191500	GVWQNMXNPXOSIP-SSDOTTSWSA-N	243.712	-0.704	50	10	BBGE	
COC[C@@H](Oc1cccc(C=O)c1)C(=O)NN	232418114	JQUOBXWYINHFNG-SNVBAGLBSA-N	238.243	-0.117	50	10	BBGE	
CCn1cc(O[C@@H](COC)C(=O)NN)cn1	232418716	SUWAAQNADXSPOK-QMMMGPOBSA-N	228.252	-0.713	50	10	BBGE	
C[C@H](Br)C(=O)NC(CO)CO	235430748	HZVPMWXIYQQLMR-BYPYZUCNSA-N	226.070	-0.761	50	10	BBGE	
Cn1nnc(CN2CCOC[C@@H]2CCl)n1	236093178	RAQLKYUKBNXZLT-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
OB(O)c1nc2ccccc2nc1Cl	238658586	YBKVNXUIMZGZAB-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
CN(C)c1ncc(C(F)(F)F)cc1B(O)O	263583478	ZCYKYFUZTHDGTO-UHFFFAOYSA-N	233.986	-0.154	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@H](Cl)[C@@H](O)[C@@H]1O	307473451	VPDVIMQPZYMQKN-IBISWUOJSA-N	231.075	-0.074	50	10	BBGE	
COCc1c(B(O)O)ccc2c1OCO2	308970746	PFZCMXZKKVIKLL-UHFFFAOYSA-N	209.994	-0.759	50	10	BBGE	
C[C@@H](Nc1nc(N)nc(CCCl)n1)C(N)=O	309281471	GTDQLXSLNWAZNB-SCSAIBSYSA-N	244.686	-0.479	50	10	BBGE	
CNCC(=O)NNC(=O)c1cccnc1	309615610	FBGMKDMLZFJLCD-UHFFFAOYSA-N	208.221	-0.938	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	379746495	CCZUVCLVHBGWQT-HGQQYVGVSA-N	239.319	-0.544	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)[C@H]1CCCO1	381293667	FIXBTPYFLJNGBT-IONNQARKSA-N	229.280	-0.689	50	10	BBGE	
COc1cc(B(O)O)cc([C@@H]2CCCNC2)n1	382640006	MBRNKDIYLLWGQB-MRVPVSSYSA-N	236.080	-0.763	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](C)C(C)(C)O	382927461	FKQBYFVPNZECNG-JGVFFNPUSA-N	217.313	-0.154	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(CCCC(=O)NN)C[C@@H]21	384653831	CJXUNCSMLKTOCA-JZYVYDRUSA-N	226.324	-0.752	50	10	BBGE	
Nc1cc2sccc2c(CO)c1B(O)O	396242168	JFOYYWUWTVGMOL-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1sc2cc(B(O)O)ccc2c1C=O	396258250	QEZWKGIVGLRFPP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSSCCN=C1NC(=O)C(=O)N1	397761963	ILGYYIMKEMKDDU-UHFFFAOYSA-N	219.291	-0.400	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1cc[nH]n1	404932963	AKCQGBFMXFTYSY-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1[C@@H](C)CC(=O)NN	688638784	IFWDTCHZHWOGMB-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)C(=O)NN)O1	688915372	MUBLCACHXOGRQV-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
CC(C)(CN(CCO)CC1CC1)C(=O)NN	690928411	XHGNNCQPHYRFQQ-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NN)c(=O)c1C#N	695738528	HDUOBTAFSPIMOW-UHFFFAOYSA-N	234.259	-0.283	50	10	BBGE	
Cn1nnc(C(=O)NC(C)(C)CCl)n1	697204001	LQLWMCKHCZLRLA-UHFFFAOYSA-N	217.660	-0.043	50	10	BBGE	
CC[C@@H](C(=O)NC)N1[C@H]2CC[C@H]1C(=O)OC2=O	703421050	AFZVRNWGEFIXEQ-FXQIFTODSA-N	240.259	-0.573	50	10	BBGE	
CCC[C@@H]1CN([C@H](C)C(=O)NN)CCO1	708942888	DFCYIQPXJLVXAO-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCN1CC[C@@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	710094700	QDCIKLLCHONVAC-UTLUCORTSA-N	238.287	-0.003	50	10	BBGE	
CC1(CNS(=O)(=O)CCCl)OCCO1	716930059	XFNPMLJBIMIWOL-UHFFFAOYSA-N	243.712	-0.092	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1=CC[N]S1	725711785	VTGIAZCMSIIKKW-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
COC(=O)NNC(=O)Nc1cn(C)nc1OC	789321523	VMEZTMMICRMZJD-UHFFFAOYSA-N	243.223	-0.179	50	10	BBGE	
Cc1nnc(NNC(=O)C2CC(=O)C2)n1C	856047535	VMPHGTOYSUWAAQ-UHFFFAOYSA-N	223.236	-0.454	50	10	BBGE	
O=C(CO)NCCC(=O)NNc1ccccc1	907089440	CRDKHTNJLWNUFT-UHFFFAOYSA-N	237.259	-0.372	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	910138915	MPMFGHVRFUMIFW-RBXMUDONSA-N	214.265	-0.777	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC(=O)NC	1136154775	NPAWDJOSGMDQCT-SREVYHEPSA-N	211.221	-0.707	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNc1ccc(C#N)cn1	1177407398	IDRBSPHWQFHKCG-SSDOTTSWSA-N	247.258	-0.092	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC12CC2)[C@@H]1COCCO1	1265592235	VFNQLBLJNWLNJI-SFYZADRCSA-N	240.259	-0.651	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCOC[C@@H]1C	1322018896	VKCYHNFKMFCDLM-NKWVEPMBSA-N	215.253	-0.381	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C\Cn1cncn1	1339538969	IRPGNAZHIVVIOC-TYRPZCRBSA-N	239.279	-0.822	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)C(C)(C)O	1556228340	KSYBEFMLIKOGSE-UHFFFAOYSA-N	226.236	-0.750	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNc2cccnn2)CCN1	1631347558	ZBZUKIQSNJQOQG-MRVPVSSYSA-N	249.274	-0.164	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1cc(C)nc(N)n1	1644078139	VPBLGJPAGQYNOL-LURJTMIESA-N	223.236	-0.643	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(=O)c1cn[nH]c1	1681482987	LCOGHIMVWVNIKV-LURJTMIESA-N	236.235	-0.487	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)CC(=O)NN)C1	1878624571	TXPOSYUKWNMPGA-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
N[C@@H](CO)C(=O)NC1CC(Br)C1	1880964779	OCMJFHXPFIAGSI-WRVKLSGPSA-N	237.097	-0.652	50	10	BBGE	
O=C(O)[C@H](O)CNC[C@H]1C[C@H]1Br	1881362850	NTKZJYUIGMEIKV-HSUXUTPPSA-N	238.081	-0.195	50	10	BBGE	
O[C@@H]1CNCCN(C[C@@H]2C[C@@H]2Cl)C1	1883552628	NOLZRAWCIGICII-YIZRAAEISA-N	204.701	-0.120	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2OC(=O)N[C@@H]2C1	1884553534	JOAUMFOTQJQRFD-XVMARJQXSA-N	215.640	-0.090	50	10	BBGE	
C#CC(=O)NN(C)S(=O)(=O)CCC	1888562915	CQRLHPLOJKYQOB-UHFFFAOYSA-N	204.251	-0.678	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(C)CCCO1	1889039059	FTZXPXGKCPITHC-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
CN(CC(CO)CO)C(=O)[C@@H]1C[C@@H]1Cl	1893469830	MUUZZVZNYBXWKO-SFYZADRCSA-N	221.684	-0.327	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1895084186	MCMFENLGKXYWGR-RYPBNFRJSA-N	225.292	-0.131	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCS2(=O)=O)C1	1895940845	HRCHCZAYEMVCTA-JGVFFNPUSA-N	247.320	-0.962	50	10	BBGE	
C=C1CC(NC(=O)c2cnsc2B(O)O)C1	1900440314	IXWSRKQKXHPZNF-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCCNC1	1901344151	LZNRJSHMJHOZDG-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)c1ncc[nH]1	1901345925	ILWWIUNXDWDWOQ-UHFFFAOYSA-N	246.292	-0.276	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)[C@@H](C#N)C1	1914870841	SKJITXWBTKYZAK-AEJSXWLSSA-N	239.323	-0.860	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC1(CO)CC1	1915532517	GASHYNRFDLGYLX-BDAKNGLRSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H](O)C1	1927816734	QXAIDFWTHZJSEV-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
CCON(CC)[C@H](COC)C(=O)NN	1928665863	PKHBQDYRRJUXMS-SSDOTTSWSA-N	205.258	-0.735	50	10	BBGE	
ClCc1noc(Cn2cnnn2)n1	1928696001	JCIXVZZUQJPGLC-UHFFFAOYSA-N	200.589	-0.157	50	10	BBGE	
O=C(CC[C@@H]1CCCO1)NNCCO	1929835912	ZPOVNYZTAUTJJT-QMMMGPOBSA-N	202.254	-0.441	50	10	BBGE	
CC1(C)[C@H]2CC(C(=O)NCB(O)O)C[C@@H]21	1930375915	JCGUBIWXWMTLRH-YUMQZZPRSA-N	211.070	-0.203	50	10	BBGE	
Cc1c(CN(C)CC(=O)NN)cnn1C	1932473810	HWDOFACNRHTJAT-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1936102427	DPLDSJVKXXERMT-UYAYMFIHSA-N	227.308	-0.136	50	10	BBGE	
CN1CC(N(C)[C@H](C(=O)NN)C(C)(C)C)C1	1936505661	KRKKXQFGMRJKBR-SECBINFHSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CCO)C1	1941095094	SEJIVPCGXAKASP-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
CCN(Cc1cc(OC)ccc1B(O)O)OC	1942619153	DLFQQFBWSSSNPY-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(F)CC1C2	1956497402	IHFSGPUDJRIPLM-KDIYEYIXSA-N	201.245	-0.059	50	10	BBGE	
CCOC1(CO)CN(S(=O)(=O)CCl)C1	1957021062	ODWCBUCWLXDITD-UHFFFAOYSA-N	243.712	-0.404	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]1c1ncon1	1958699582	ORGKHQLHOPMGAU-ZCFIWIBFSA-N	211.225	-0.804	50	10	BBGE	
CC(C)C[C@H]1CC[C@H]1NC(=O)C(=O)NN	1959176197	JARFBCAWXHOHMQ-HTQZYQBOSA-N	213.281	-0.083	50	10	BBGE	
CCc1ncncc1C(=O)NNCCO	1975165082	CJXFLRZQXOAHBW-UHFFFAOYSA-N	210.237	-0.734	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)[C@H](C)C1	1978943460	COJRUHOYBVEBLD-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSCCCN	1980594891	VZHOCXUNZOZONH-UHFFFAOYSA-N	243.336	-0.394	50	10	BBGE	
CON(c1ccncc1B(O)O)C1CCC1	1981409811	RVMIXIKFHPXYCD-UHFFFAOYSA-N	222.053	-0.318	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C=CCC1	1984106399	DHCWKZDQHUZUNY-SECBINFHSA-N	219.049	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H](CCO)C(F)(F)F	1984132841	VKRBDQRTXHKVIR-RITPCOANSA-N	243.229	-0.390	50	10	BBGE	
COC[C@H]1CC[C@@H](CN(C)CC(=O)NN)C1	1985397005	MYWHONJJEXSYFI-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
Cc1ccnc(O[C@@H]2CC2(F)F)c1B(O)O	1985883925	LXDXJWMUPYWIAQ-ZCFIWIBFSA-N	228.991	-0.144	50	10	BBGE	
CCCN1[C@@H](C)CN(CC(=O)NN)C[C@H]1C	1987312465	KEQJPUTYEPLZFT-AOOOYVTPSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cnn(C[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1	1989163648	FTGGZJSXEIXEJB-OFPNECHXSA-N	218.065	-0.535	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1c(N)cccc1F	1989371078	IGNPRLDQSQKWAS-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
CCON(C)C[C@H]1CCC[C@H](C(=O)NN)O1	1990165261	WSPYDOLBFNYBEO-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@@H]1C[C@H]1Cl	1991433229	PIVPYBSGLYBUDF-JGVFFNPUSA-N	247.726	-0.592	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(CNC(=O)N2)C1	1991713073	OJRWCKOZJUAPON-OWOJBTEDSA-N	243.650	-0.798	50	10	BBGE	
NNC(=O)c1coc(Cn2cc(F)cn2)n1	1992089538	MTQDIFUBBLDIET-UHFFFAOYSA-N	225.183	-0.338	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12CO[C@](C)(C1)C2	1993941207	YZBROBGCORBFTH-PHIMTYICSA-N	227.308	-0.133	50	10	BBGE	
C=CC(=O)NCCc1ccc(B(O)O)cc1	1994688939	UCPFMIVJGVTRNI-UHFFFAOYSA-N	219.049	-0.789	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1995043443	XRCURDMTZORGSY-QEYWKRMJSA-N	249.738	-0.302	50	10	BBGE	
Cc1nc(N2CC3CC(C3)C2)ncc1B(O)O	2004970469	BZLSAZVCLJDOEP-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
Cc1ncnc(N2C[C@@H](F)C[C@H]2C)c1B(O)O	2004975096	UMFHJPYHESQFOT-SVRRBLITSA-N	239.059	-0.598	50	10	BBGE	
CCc1nc(C)cn1-c1ccc(B(O)O)cn1	2005005601	STBKTQKRXWTZBM-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C2COC2)c1	2007616744	VZXYWHYKVJBHFZ-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)nc1)C1COC1	2007743067	GGCHAEYLNQIAES-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975877	VAONCZHLVTUAMO-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ccnc(B(O)O)c1	2009675767	IZKWKAMGONUDOF-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H](F)CN1CCN([C@H](C)CC(=O)NN)CC1	2015816957	PEFHSCJQUJZRIP-NXEZZACHSA-N	246.330	-0.270	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CN(C)C)C1	2019213532	WCYTYCYYLBMGOV-SNVBAGLBSA-N	242.323	-0.963	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2020063821	ZDLHUTXLQJXHRQ-ILWJIGKKSA-N	239.080	-0.372	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2ncnc(O)c2C1	2025567100	FQMSBXDIDIBAER-QMMMGPOBSA-N	237.263	-0.734	50	10	BBGE	
C[C@H](CN1CC[C@H](OCCCO)C1)C(=O)NN	2026095124	MSIMUPLGFOHSLF-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	2026300274	YSMOFUPKWDYHAC-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2026810316	DFWIAQUQBNKVGF-LALMQGGXSA-N	231.060	-0.205	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)n1	2026818353	HVSIFGIMNRIWIG-ZJUALTJPSA-N	249.100	-0.288	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C)c1ncc(B(O)O)c(C)n1	2052552388	RVYCMBCEUXKTKU-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@H]2C3)ncc1B(O)O	2052560154	UIPWZZSMZGJODG-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
Cc1cccc(Cn2cccc(B(O)O)c2=O)c1	2058154321	DNFGJIVPQHCBKM-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
Cn1cc(C(=O)NNC2=NCCC2)ccc1=O	2059862025	RBOIHZVHDONCRN-UHFFFAOYSA-N	234.259	-0.188	50	10	BBGE	
O=Cc1cc(Cl)c(F)c(B(O)O)c1	2060109955	GJTSBDUVTUCARP-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1ccc(C#N)c(OC)c1B(O)O	2060287582	SJJGPZWCTSLSPW-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
CCn1nccc1C(=O)N[C@H]1CCC=C1B(O)O	2076076231	LNQBHBOYWHLDKM-VIFPVBQESA-N	249.079	-0.266	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1cccc(B(O)O)c1	2079009364	QWXNKAIXDJIKSW-GHMZBOCLSA-N	245.087	-0.105	50	10	BBGE	
O=C(N1CCc2cccc(B(O)O)c21)C1(F)CC1	2085364225	NYQQBKOWLBLLGU-UHFFFAOYSA-N	249.050	-0.242	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1ccc(B(O)O)s1	2211071667	DXKMMYIZBHVKGO-VXNVDRBHSA-N	242.105	-0.021	50	10	BBGE	
OB(O)c1csnc1COC[C@H]1CCOC1	2211137455	GQDVBGFWZSQCMN-ZETCQYMHSA-N	243.093	-0.624	50	10	BBGE	
Cc1cnc(SC[C@@H](C)CO)cc1B(O)O	2212599893	PDVFRPVBEVIYJL-ZETCQYMHSA-N	241.121	-0.210	50	10	BBGE	
OB(O)c1cccnc1NCCOCCF	2212601541	PJDJTKIFLJNYIH-UHFFFAOYSA-N	228.032	-0.841	50	10	BBGE	
C=CCCCC(=O)Nc1ncc(B(O)O)cn1	2214655298	BQZYUHGVLORARF-UHFFFAOYSA-N	235.052	-0.549	50	10	BBGE	
Cc1nc(OC2C[C@@H]3C[C@H]3C2)ncc1B(O)O	2216577772	SLGYUCLNCBRPDE-YUMQZZPRSA-N	234.064	-0.358	50	10	BBGE	
C[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CN1	2217176145	RYOFHUOCWQRLLO-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
C#CCN(CC(C)C)c1ncccc1B(O)O	2217177531	JZXJPHDNSQVTHZ-UHFFFAOYSA-N	232.092	-0.143	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCO[C@H]32)c1F	2217182632	FSMUAPJETXORIZ-JISRMSBWSA-N	238.027	-0.900	50	10	BBGE	
CO[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217196346	QXDJXDUMQUUDBN-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217200907	MUZIGQCZFDVEJH-UWVGGRQHSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1ccc(NCc2cccc(O)n2)nc1	2223640121	JHQMFALSOAAEQF-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
OB(O)c1cccnc1OC1([C@@H]2CCNC2)CC1	2223649935	GDSGHGDBRYFLFR-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)C[C@H]2NCC[C@H]21	2223658092	JZTPPSAJVWUGEX-FOGDFJRCSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)c1ncccc1B(O)O	2223671033	GRGJNHMCSLVEQB-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
NC[C@@H]1CO[C@@H]2CN(C(=O)F)C[C@@H]2O1	2241301060	RGUPSPMZEYXDNA-QYNIQEEDSA-N	204.201	-0.497	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)c(C)s1	2241493380	MMRIBWZKPPSZGY-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
C=CCN(OC)c1nc(B(O)O)cs1	2241804981	PPAQRLLSHNSFAJ-UHFFFAOYSA-N	214.055	-0.623	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC2(CC2)C1	2243374575	HARYLRYHNSCURQ-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
C#CCONC(=O)c1cc(B(O)O)c(C)s1	2243382332	NOAAIPCBGFXBDX-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
N=c1[nH]c(CNC(=O)[C@H]2C[C@@H]2B(O)O)cs1	2243397006	UFONZIYNIIEWBE-WDSKDSINSA-N	241.081	-0.965	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243426694	KKYJTXCQFCEXMM-KZVJFYERSA-N	226.085	-0.765	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1(B(O)O)CC1	2243759052	QEEIWAVGEGYAQU-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2246748742	NXTVMTYRMRTSBC-PTRXPTGYSA-N	241.335	-0.152	50	10	BBGE	
CC=C=CCCNC(=O)c1coc(B(O)O)c1	2247722332	LMAHVPLNSKUPMN-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
CC1(CCNC(=O)c2cc(B(O)O)c[nH]2)CC1	2247737875	LGGIQJHIJOXGGK-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
O=C(N[C@@H]1CC12CC(O)C2)C1(B(O)O)CCC1	2247738575	SBLALSZQNWQYRG-CCNFQMFXSA-N	239.080	-0.587	50	10	BBGE	
CC1(CF)CN(C(=O)c2ccc(B(O)O)o2)C1	2247740357	JJBABKUNEATUGJ-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)c[nH]2)C=CCC1	2247747011	HWINRTQBLBUUOE-NSHDSACASA-N	234.064	-0.467	50	10	BBGE	
C[C@H]1CCN(C(=O)c2occc2B(O)O)[C@@H]1C	2247750300	HFLYNFBFZFWKDM-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
CC(C)[C@H]1CNCCN1C(=O)C1(B(O)O)CC1	2247751391	XCFMGQPHHWGHLT-SECBINFHSA-N	240.112	-0.550	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CF)ccc1B(O)O	2247761743	WXTHGVDLHPECLC-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2247770050	MKYALSSMBXPDGQ-VXNVDRBHSA-N	234.064	-0.710	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1cc(B(O)O)n[nH]1	2247784214	QVOAKEPCGSKTAI-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
CCN(O)C(=O)c1cc(C)cc(B(O)O)c1F	2247793903	JGLBKAQQLHYOCE-UHFFFAOYSA-N	241.027	-0.335	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247796759	CNNZIKNVODLESL-MGCOHNPYSA-N	240.112	-0.597	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1CCOCC1	2247797407	JCGNKTFMIHHIAX-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@H]2O)C1	2247806152	MHJUYOWHQGKKNE-JDDHQFAOSA-N	239.080	-0.921	50	10	BBGE	
NCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247810385	XAGATAZGOQECRY-GUBZILKMSA-N	240.112	-0.421	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ccc(B(O)O)o1	2247848250	JFZQOOSWHZDVCA-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCOC(C)(C)C1	2247852559	WJNCVIHJRUSVLB-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
CC#CCNC(=O)c1cccc(B(O)O)c1C	2247872957	BEQDTVQTZSLQFL-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
O=C(NC[C@]12COC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247894774	KTOMTUYFWKOSSY-TURQNECASA-N	239.080	-0.608	50	10	BBGE	
C#CC[C@H](COC)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895040	NLFBFDYGJBNTFI-KXUCPTDWSA-N	239.080	-0.606	50	10	BBGE	
O=C(NCC1(O)CCCC1)[C@H]1C[C@H](B(O)O)C1	2247899357	MTPLYACMWVSTMY-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)C1CC(B(O)O)C1	2247908961	CIKYGOZKXCVQJU-SYEZBEBOSA-N	238.096	-0.955	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248081600	SSJFJWHLHRNMIF-HSNKUXOKSA-N	237.259	-0.993	50	10	BBGE	
C=CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248574098	OKEYORWSKSTHIG-RNJXMRFFSA-N	241.052	-0.615	50	10	BBGE	
O=C(O)[C@@H]1C=CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586805	HHWVXRHTFMQMEM-FXQIFTODSA-N	239.036	-0.909	50	10	BBGE	
CC[C@H](C)[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248593723	PWKJULJRKHNZIT-JGVFFNPUSA-N	241.052	-0.993	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)cn1CCC	2255498066	MGEVUIXHRCHCKM-UHFFFAOYSA-N	248.091	-0.717	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@]12CCC[C@@H]1C2	2255501246	FVRYGGYWSANVIS-PRHODGIISA-N	248.091	-0.623	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCOc2ccccc21	2255681546	TZFPRFBTHAVVDI-SNVBAGLBSA-N	245.043	-0.358	50	10	BBGE	
C=C(CC)CNC(=O)c1nccc(C)c1B(O)O	2255683129	RCFCGPAWBWGMIV-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
Cc1ccc(NC(=O)c2occc2B(O)O)nc1	2255737361	CXKCZJVTEQNLTM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(NCCN1CCOCC1)=C(C#N)C(N)=O	2297592714	PNZMCJKILUZHPH-UHFFFAOYSA-N	238.291	-0.809	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)O)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298462800	CXPOAKGUCVMKFW-NGJRWZKOSA-N	241.052	-0.687	50	10	BBGE	
CN1CC[C@@H]1COC[C@@H]1CC[C@@H](C(=O)NN)O1	2299039621	HASYVPNKSJJZEA-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
CN(CCOCC(=O)NN)CCOC1CCC1	2300897535	UJRXHYRUETVVER-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1C[C@H](n2cnnc2)C1	2300921943	UWJJAIISBWTSRM-CIUDSAMLSA-N	239.279	-0.233	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ncccn2)CC1	2307625380	IQPIYIMCLBWBNU-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
CN1CC[C@@H](Nc2ccc(B(O)O)cc2C#N)C1	2317162030	HSPZSPYFNRJWHM-LLVKDONJSA-N	245.091	-0.646	50	10	BBGE	
CONCCCNc1ccc(B(O)O)cc1C#N	2317166062	RCAFZSCKYWSSNF-UHFFFAOYSA-N	249.079	-0.809	50	10	BBGE	
NC[C@@H]1C[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317311852	WMAWEFCIXIXWOE-UWVGGRQHSA-N	248.091	-0.814	50	10	BBGE	
C#Cc1ncccc1Nc1ncc(B(O)O)cn1	2322531086	RMDGKZBNEMJDLP-UHFFFAOYSA-N	240.031	-0.724	50	10	BBGE	
O=C(NCCCl)N[C@@H]1CCS(=O)(=O)C1	5029721	RINQFOLEIAHSOY-ZCFIWIBFSA-N	240.712	-0.289	50	10	BBGE	
C[C@H]1CCC[C@H](C)N1C(=O)COCC(=O)NN	58849849	XGCRRXKBEQWWKO-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
Cc1ccn(CCn2cc(C(=O)NN)nn2)n1	80007260	ROQOIZWPKOOMEP-UHFFFAOYSA-N	235.251	-0.913	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2C1=O	82471411	WOHKXDFDUCOMJY-UHFFFAOYSA-N	205.217	-0.368	50	10	BBGE	
NC(=O)CCCNC(=O)CBr	82507036	GPNQLNOAPJXGAD-UHFFFAOYSA-N	223.070	-0.237	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC(N)=O)C1CCCC1	110589135	VLFFPUWSGVQBDW-VIFPVBQESA-N	242.323	-0.515	50	10	BBGE	
C[C@H](CN1C[C@@H](C)N(C)[C@H](C)C1)C(=O)NN	127932767	RAMSHAPZAMSJDN-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCOC1	170766674	PLKVEKFWDVOPSZ-SCSAIBSYSA-N	226.154	-0.267	50	10	BBGE	
CO[C@H](C)COc1cc(F)cc(B(O)O)c1	228583150	FVABQIGSPHSQKD-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
C[C@@H](C[S@](C)=O)NS(=O)(=O)CCl	229037498	OJOVLNHYZQOHGK-DYEAUMGKSA-N	233.742	-0.131	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H](O)C(F)F	236560027	CLAPQYPOSLRWBF-GSVOUGTGSA-N	223.628	-0.272	50	10	BBGE	
CCOC(=O)N[C@@H]1CCC(=O)OC1=O	238280326	KUEJJRCSYNTVHL-RXMQYKEDSA-N	201.178	-0.035	50	10	BBGE	
C[C@H](O)[C@H](N)COCCOCCCl	238485612	OSJDTJMBRKNWBK-JGVFFNPUSA-N	211.689	-0.034	50	10	BBGE	
O=C=NCc1ccccc1N1CCNC(=O)C1=O	258323729	LGUJFMPMSJHMTQ-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)[C@H]1COCCO1	306441375	ORGLMAWZNIQNLP-XLPZGREQSA-N	235.667	-0.476	50	10	BBGE	
NNc1cc(Br)cc(B(O)O)c1	306972288	KQELKFMMPYHPCI-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
C[C@H](CN1CC[C@](C)(CN)C1)C(=O)NN	309064163	YEJWMASNZSRBOJ-PSASIEDQSA-N	214.313	-0.717	50	10	BBGE	
C[C@@H](CC(N)=O)Nc1nc(N)nc(CCl)n1	309198847	AAWVZFJZIZXKOK-BYPYZUCNSA-N	244.686	-0.132	50	10	BBGE	
C[C@@]1(CO)CCN(CCCCC(=O)NN)C1	381370614	MLQRWDNVYMDNBU-LLVKDONJSA-N	229.324	-0.149	50	10	BBGE	
NC(=O)CC1CN(S(=O)(=O)CCCl)C1	382376647	NVNBLBPRELVVLK-UHFFFAOYSA-N	240.712	-0.638	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](C)[C@@H](O)C1	388616437	MZBDPCLIVMWANT-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
Nc1cc2sccc2c(C(=O)O)c1B(O)O	396241291	LLQNGCZUHRFALS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc2c(C=O)csc2cc1B(O)O	396279468	WYJUCNVUAGQJBZ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CCC[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1F	396466192	SYOYAAJCSVMGIU-GHMZBOCLSA-N	241.071	-0.334	50	10	BBGE	
CC[C@@H](SCCC(=O)NC)C(=O)NN	399167172	FKMAKEHJOCBGRX-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ccncn1	404935801	DFKJMMONWPVKHZ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2[C@@H](C)C(=O)NN	686191494	UTOJFGCVBZEWTH-OEZYJKACSA-N	227.308	-0.402	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@@H](C)[C@@H]1O	688122350	PJDDPNCCWZFTLL-LOKLDPHHSA-N	229.324	-0.296	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)[C@@H](C)C(=O)NN	688148143	DHPXYTUUCKIWQR-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)[C@H](COC)C(=O)NN)CO1	688489736	WYFRZJKZQDYTGS-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C#N)C1)C(=O)NN	693906987	HRJFQIKTMMGTPR-BDAKNGLRSA-N	210.281	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnccn1	700076255	XAUOVURQAUTONJ-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
O=C(NCB(O)O)c1sccc1F	702017329	LRZUIGVMTJKCIA-UHFFFAOYSA-N	203.003	-0.371	50	10	BBGE	
CCn1nnnc1SCCC(=O)NN	707085831	UWSRLTWEOFLXLH-UHFFFAOYSA-N	216.270	-0.835	50	10	BBGE	
CC(C)[C@@H]1CN(CC(=O)NN)CCO1	708954415	YQRTZYHDLWBCNX-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cnc[nH]1	709735757	IFAYNBNITKNNQM-RXMQYKEDSA-N	231.639	-0.080	50	10	BBGE	
CN(C)C[C@@H](Cl)CNCc1nnn(C)n1	717277118	LEKJQEAJFSGHHV-ZETCQYMHSA-N	232.719	-0.531	50	10	BBGE	
C[C@H](Cl)C1=C=NNN1CC1CS(=O)(=O)C1	725448953	PGJYWIDZAMSITI-LURJTMIESA-N	249.723	-0.053	50	10	BBGE	
C[C]1SC=C(C(=O)NCB(O)O)[C@@H]1C	725654208	BUNPLZDBNJYGKU-RXMQYKEDSA-N	214.075	-0.067	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCC(C)(C)O1	784894222	QMHMPOVLPFGFGL-ZCFIWIBFSA-N	215.253	-0.096	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN(C)C(N)=O)C1	816958095	CQPDIXSCBWZXTQ-ZETCQYMHSA-N	214.269	-0.630	50	10	BBGE	
CC#CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	858329580	IVGWSQDMSGEKFU-IUCAKERBSA-N	239.275	-0.092	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCCN1C=O	862499624	GUQBGKCQYYGACN-LLVKDONJSA-N	248.286	-0.124	50	10	BBGE	
Cc1cc(NNC(=O)Cn2ncnn2)nc(C)n1	1182777058	ICPRERLEVGANKB-UHFFFAOYSA-N	248.250	-0.777	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNc1nnc(C)n1C	1331675682	JHFAHPKPUWXXFL-UHFFFAOYSA-N	235.251	-0.088	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C/Cn1cncn1	1339538967	IRPGNAZHIVVIOC-CDAZIORVSA-N	239.279	-0.822	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(CO)c(C)o1	1442139279	NBXLKQYFABWAFP-UHFFFAOYSA-N	227.220	-0.346	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc(O)nc1	1457831906	XQEPZGMOBWOEGL-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
COC(=O)NNC(=O)C[C@H]1COC(=O)C1	1558900278	HXRBLJMUPVCGSG-RXMQYKEDSA-N	216.193	-0.673	50	10	BBGE	
C[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	1629656212	KAYYYCNFKGXYGA-YCFDNDNXSA-N	234.259	-0.176	50	10	BBGE	
CCNC(=O)NNC(=O)c1nc2ncccn2n1	1631193933	OVAYJUDCQGVGBR-UHFFFAOYSA-N	249.234	-0.912	50	10	BBGE	
CCn1ccc(C(=O)NNC(=O)c2cc[nH]n2)n1	1632708875	UIZLUBRXUPGERH-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1Br	1881353872	OPFKTDNGNIOHGV-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
NCCS(=O)(=O)NC[C@H]1C[C@H]1Cl	1881375089	YTMJSLADALBVPJ-PHDIDXHHSA-N	212.702	-0.508	50	10	BBGE	
O=C(CNCCO)NC1CC(Cl)C1	1881718296	DQGXTPWBLNEPFS-UHFFFAOYSA-N	206.673	-0.546	50	10	BBGE	
Cc1ncncc1C(=O)NNC(N)=S	1885176469	JFFURTYOPJKUAO-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
O=C(Cl)NCCN1CCS(=O)(=O)CC1	1886389062	KURCZGVVJSUBID-UHFFFAOYSA-N	240.712	-0.335	50	10	BBGE	
CO[C@@H]1CCN[C@@H](C(=O)NN(C)C)C1	1887235615	UKVSKCLCVLQMQH-HTQZYQBOSA-N	201.270	-0.654	50	10	BBGE	
O=C1NCCN(C[C@@H](O)CCl)C12CC2	1887670973	XGEOTEQUFDVGAS-ZETCQYMHSA-N	218.684	-0.450	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)O[C@H](C)C1	1897041334	KLMXHWDRDXDCEH-HTQZYQBOSA-N	229.280	-0.737	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCCNC1	1901344150	LZNRJSHMJHOZDG-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
CN(NC(=O)[C@H]1CC(C)(C)CN1)S(C)(=O)=O	1901377075	JVTLRUADHSKAOH-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
CC[C@@](C)(CN1CC=C[C@@H](O)C1)C(=O)NN	1902718889	ABGYSPMCMQQNHO-KOLCDFICSA-N	227.308	-0.375	50	10	BBGE	
O=C(O)[C@]1(NC[C@H]2C[C@H]2Cl)CNCCOC1	1904376560	ATVLMSGZTGRZFR-MRTMQBJTSA-N	248.710	-0.354	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)CC(=O)NN	1906908688	QCCJIQKBHFZLRW-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
N#CC1=CCN(C(=O)c2cn(CCN)nn2)CC1	1917067702	NWOWVTGKGXIQOE-UHFFFAOYSA-N	246.274	-0.467	50	10	BBGE	
C[C@@H](CO)CN(C)CC1(C(=O)NN)CC1	1931258897	IPLGCLAQPPOOSM-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)CCO	1936088241	LIKBFGMUAYAPMO-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1Cl	1936883687	XSCIQXNNEVXPMZ-XPUUQOCRSA-N	243.698	-0.202	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCCC[C@@H]1O	1941088370	PXNYNAYTNZRCJY-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)C1CCCC1	1941093655	HLWLAGMIINCDMV-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)C[C@H]1O	1944569755	NIPROKOAHVCQQO-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)COCC2	1947324013	NWIBHIIWZPTJJE-UHFFFAOYSA-N	235.243	-0.312	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(CCBr)C2	1953513430	SOOGLXOHBBLZEB-XAMCCFCMSA-N	236.109	-0.193	50	10	BBGE	
C[C@@H](CN1CC(CCF)C1)C(=O)NN	1955351391	LOEBYIMKSHZXRR-ZETCQYMHSA-N	203.261	-0.096	50	10	BBGE	
O=C1NCCN(C[C@H](O)CCl)CC1(F)F	1960148464	YRIOJYNIQOKXMJ-ZCFIWIBFSA-N	242.653	-0.347	50	10	BBGE	
O=C(Cn1cnnn1)N1CC=C[C@@H](Cl)C1	1960193951	FQEKCBOIYVCSEK-SSDOTTSWSA-N	227.655	-0.321	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([S@](C)=O)C1	1961563750	LJCKFUKJPYYKHF-AYVTZFPOSA-N	233.337	-0.936	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1976578885	LQFLTPTZTRGIJI-PSASIEDQSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1976820620	MOUDQJUEPUPOFZ-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CC[C@H](C)OC(=O)N[C@@H](CB(O)O)C(=O)O	1976980055	SWGFFXBBDUQKRY-WDSKDSINSA-N	233.029	-0.563	50	10	BBGE	
O=C1CN(C[C@@H]2CC3(CC3)CO2)CC(=O)O1	1979388535	OSRNSVHDHBJIOV-QMMMGPOBSA-N	225.244	-0.059	50	10	BBGE	
CN(Cc1cnn(C)n1)C(=O)NC(=O)CCl	1981348509	JUTHWTWTNCEJOE-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
CCC1(C)CN(c2ccc(B(O)O)cn2)C1	1981408545	BUZYHHABKCDQHI-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@@H](Oc1ncc(B(O)O)cn1)C1CCC1	1981420260	IKWNAAXDGLSYTF-SSDOTTSWSA-N	222.053	-0.276	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1985768470	YOTSPBOTJNLFQO-GJMOJQLCSA-N	237.250	-0.627	50	10	BBGE	
C[C@@H](F)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1988642945	TXLFJIPBWGCHRZ-HTQZYQBOSA-N	229.255	-0.451	50	10	BBGE	
CN(CC(=O)NN)CC12CC(C)(CCO1)C2	1990166614	FLKUYUQUXJUQMT-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
COCCC1(Cn2cc(B(O)O)cn2)CC1	1990568730	XMLPXROQWPYHKK-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCn1ccc(B(O)O)n1	1991152917	UVHRTEUIWRLWFH-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1991647943	JSMRZVUZADUWPZ-CSMHCCOUSA-N	245.662	-0.474	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)C=CC(=O)Cl	1991650370	NAGYRXPWYSTXOI-VCDKAQMESA-N	244.678	-0.461	50	10	BBGE	
CCN(Cc1nn[nH]n1)C(=O)C=CC(=O)Cl	1991654686	NGARCDHKOFTOQO-UHFFFAOYSA-N	243.654	-0.130	50	10	BBGE	
COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1Cl	1991678580	GMVVGQIUROOYTR-NGJCXOISSA-N	249.650	-0.254	50	10	BBGE	
COCC1(N)CC(NC(=O)/C=C/C(=O)Cl)C1	1991706687	SDDHBVMMUAFYBL-NSCUHMNNSA-N	246.694	-0.070	50	10	BBGE	
CN(C)C(=O)NCCNC(=O)/C=C/C(=O)Cl	1991712653	JMQJDZUIJPVDQE-ONEGZZNKSA-N	247.682	-0.305	50	10	BBGE	
C=C(CN(CC)[C@H]1CCS(=O)(=O)C1)B(O)O	1992160595	YLSWVLDHPVOSCL-VIFPVBQESA-N	247.125	-0.936	50	10	BBGE	
COC[C@H](O[C@H]1CCO[C@H](C)C1)C(=O)NN	1994677978	REIPZMTWIKNOIH-VGMNWLOBSA-N	232.280	-0.425	50	10	BBGE	
Cc1ncnc(OC2(C)CCC2)c1B(O)O	1995606925	PMVVUADKQTUYQQ-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
CC(C)(CN1C(=O)C[C@@]12CCOC2)C(=O)NN	1996642971	BSVBTKMSAVPDLZ-LLVKDONJSA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)CCCN1[C@H](CO)C[C@H]2CCC[C@@H]21	2000718010	TXPTZGRCWQTFGL-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN1CCOCC1	2003811174	HQWIPBSFNYWBKG-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](OCCO)C1)C(=O)NN	2003871196	ADQCRAXHBPFDJT-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CCCOC1CN(c2ccncc2B(O)O)C1	2004912406	SMESMAPYDSDBHU-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CON(C)c1ncc(C(F)(F)F)cc1B(O)O	2004974706	OJHVYFUZMNRWSA-UHFFFAOYSA-N	249.985	-0.222	50	10	BBGE	
Cc1cc(N2CC(CCF)C2)ncc1B(O)O	2005015879	GWKYUYHCIHDQKY-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@H]21	2015991742	YPNKHKVABSONPU-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(c2ccn(C)n2)C1	2019134047	OJGNKCTYKVCMJJ-SNVBAGLBSA-N	237.307	-0.412	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCN(C)C[C@@H]1C	2019206895	AKXXWIKAFDRBEC-VIFPVBQESA-N	242.323	-0.820	50	10	BBGE	
Cc1cccnc1CC(=O)NCC=CB(O)O	2020060415	VJSUAJRGCHVRQB-UHFFFAOYSA-N	234.064	-0.383	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CCC[C@H]1COC2	2021535463	XFNFOWZYRQGKMG-UWVGGRQHSA-N	241.291	-0.593	50	10	BBGE	
COCC(COC)CN(C)[C@@H](C)CC(=O)NN	2022020589	SZFJRNISZLCYKA-VIFPVBQESA-N	247.339	-0.404	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1ccc(B(O)O)cn1	2025752876	NJCPAILUANAIEU-KCJUWKMLSA-N	238.071	-0.054	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3CC[C@H]3C2)n1	2050241511	IXIFNNBCJBFVOA-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@]12CCOC2	2052486152	BPBYEJYEWPLTQK-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1cnccc1N1CCOCC2(CC2)C1	2052492455	PRNJNVIRZWTDKR-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
Cc1cnc(N2C[C@H]3CCO[C@H]3C2)c(B(O)O)c1	2052620525	UYQMBOSBUNZJBR-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@H]3C[C@@H]3CO2)c1	2058907728	VUIDIKPPJCDZIP-SBMIAAHKSA-N	249.075	-0.435	50	10	BBGE	
C[C@@H]1C[C@H]1CCC(=O)Nc1ncc(B(O)O)cn1	2072095559	OCMXQWAMZHZJBR-HTQZYQBOSA-N	249.079	-0.469	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	2079008432	JMYHWRFVWAIQJW-LDYMZIIASA-N	249.075	-0.869	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2CC[C@H]21	2079008830	NHMSAOFWMKLNRM-JOYOIKCWSA-N	245.087	-0.009	50	10	BBGE	
C[C@H]1COC[C@@H]1NC(=O)c1ccccc1B(O)O	2079008833	BVGUPKKGUFSAER-KWQFWETISA-N	249.075	-0.869	50	10	BBGE	
CCCOCc1nscc1B(O)O	2209232782	SRLLPNAZDUYKQV-UHFFFAOYSA-N	201.056	-0.251	50	10	BBGE	
Cc1cn(Cc2cscc2B(O)O)c(O)n1	2211137209	CENJDUNASOGYKT-UHFFFAOYSA-N	238.077	-0.313	50	10	BBGE	
CC(C)(CN1CC[C@H]2C[C@H]2C1=O)C(=O)NN	2211799556	ZRKUCHLVJNIOFY-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
OB(O)c1ccc(NC2[C@@H]3CCC[C@@H]23)nc1	2212612089	HYMFAGFUUYLAQH-RKDXNWHRSA-N	218.065	-0.028	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2CCCCC(=O)NN	2213354152	IZMXBXPDYXFNCE-NHCYSSNCSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N[C@H]2CNC[C@H]2C)cc1B(O)O	2217181080	YBTOWYPVZWMLND-SCZZXKLOSA-N	235.096	-0.910	50	10	BBGE	
CNCC[C@H](C)N(C)c1ccc(B(O)O)cn1	2217181697	TUVUQEMQBCAGDV-VIFPVBQESA-N	237.112	-0.804	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1ccc(B(O)O)cn1	2217182036	YFGJZSLLJCIFHE-LLVKDONJSA-N	230.076	-0.391	50	10	BBGE	
COC(C)(C)CNc1nccc(B(O)O)c1F	2217182390	ACUPGSIHXYNAAM-UHFFFAOYSA-N	242.059	-0.263	50	10	BBGE	
CCOCCCOc1cc(B(O)O)c(C)cn1	2217190358	CPMDITISUOARGD-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
NCCC1CC(Nc2ccc(B(O)O)cn2)C1	2217198552	CLMYYASDVZHWNJ-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CCC=CO2)nc1	2217201768	RPKQJQHNHSQDPW-JTQLQIEISA-N	234.064	-0.134	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H](O)C3(CC3)C2)c1	2220071674	XJYXPLGFJREZDJ-LBPRGKRZSA-N	247.103	-0.677	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)c1cc(B(O)O)ccn1	2223627332	MNESRDDBURVYTK-QWRGUYRKSA-N	248.091	-0.910	50	10	BBGE	
OB(O)c1ccc(N2CC[C@]3(C2)C[C@@H](O)C3)nc1	2223647412	ABSUZLGTNQOTGL-KLPPZKSPSA-N	248.091	-0.887	50	10	BBGE	
C#CC[C@H](CN=c1ccc(B(O)O)c[nH]1)C1CC1	2223647553	YOSJWIWZLBENSC-LLVKDONJSA-N	244.103	-0.355	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)CC23CC3)nc1	2223650658	PHSDCHFGFAJOFT-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
CN(C[C@H]1C=CCCC1)c1ncc(B(O)O)cn1	2223676298	ZKYUTWTYUBOFLW-JTQLQIEISA-N	247.107	-0.051	50	10	BBGE	
CSC[C@H](C)CNC(=O)C#CB(O)O	2241467977	FIOXITXJLUNORQ-SSDOTTSWSA-N	215.083	-0.883	50	10	BBGE	
CP(C)(=O)C1CN(CC(=O)NN)C1	2241806664	USNQODULSIDIPS-UHFFFAOYSA-N	205.198	-0.717	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)O1	2243365584	OOVWYBQYUMTZRB-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1sccc1B(O)O	2243375434	SUVNTOPIVPKHBT-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381801	IXAXFHDBGDKGLT-RBXMUDONSA-N	226.085	-0.813	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)cn1CC	2243409751	OCFKWRPLWNOMJO-UHFFFAOYSA-N	222.053	-0.896	50	10	BBGE	
O=C(NCCC1CC(O)C1)C1(B(O)O)CC1	2243410367	AFCXQBUGIQKKGQ-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=C(F)C1	2244211166	IEDKSAIBPVGOIH-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
OC[C@@H]1CN(CC2CC(Cl)C2)C[C@H](O)[C@H]1O	2245270630	APMMJWOGWYWIJT-CQTQVWDRSA-N	249.738	-0.350	50	10	BBGE	
CO[C@H](CCl)CNC(=O)c1ncc[nH]c1=O	2245977436	OWAFDFFIIRCKAX-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
C[C@@]1(C2CC2)CN(C(=O)C#CB(O)O)CCO1	2247738648	TYZLYFOVMKCRAJ-NSHDSACASA-N	237.064	-0.971	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1ccoc1B(O)O	2247740147	GRIYLCWNWOTUAN-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)[C@@H](C)O1	2247753560	ASDZZGLLASXTKB-HLTSFMKQSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CNCCN(C(=O)C2(B(O)O)CCC2)C1	2247757565	WMBHYJZKHAPXPG-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)ccc1C	2247761184	SBZCBRVWRQGOFB-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
COCCNC(=O)c1cc(B(O)O)ccc1C	2247762103	ZNDKWHVLKUVOIV-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
CC(C)C[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2247782191	RHOHKECKJUMIEO-ZETCQYMHSA-N	239.084	-0.746	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786185	XGACAWCLWHEBOE-FHNUBNKASA-N	239.080	-0.610	50	10	BBGE	
O=C(NC12CCN(CC1)C2)[C@H]1C[C@@H](B(O)O)C1	2247786584	CQWHIDHTSVPDDI-DTORHVGOSA-N	238.096	-0.796	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(C1CCC1)C1CNC1	2247790476	HRBPXKPFLBDNGZ-VHSXEESVSA-N	238.096	-0.798	50	10	BBGE	
O=C(NCCN1CCCC1)[C@H]1C[C@H](B(O)O)C1	2247796931	DWYBPJTVXGJFLG-MGCOHNPYSA-N	240.112	-0.549	50	10	BBGE	
CCC(CC)N(CCO)C(=O)[C@@H]1C[C@H]1B(O)O	2247797326	INOIALRCRTWMLW-NXEZZACHSA-N	243.112	-0.141	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247803694	CQZOFMYGGDVBNT-SFYZADRCSA-N	237.068	-0.494	50	10	BBGE	
CC[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCO1	2247810002	SYZMBODQHAGPNH-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CNC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810604	YSXBTCOZOCPTRS-XKNYDFJKSA-N	240.112	-0.789	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cc1C	2247858817	HXWMZGNOZZFREL-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccncc1B(O)O	2247872714	XQSGSQMXNRWNTN-HQJQHLMTSA-N	234.064	-0.710	50	10	BBGE	
CC=CCNC(=O)c1cc(C)ccc1B(O)O	2247873497	CFIXEPHXVWOYJC-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CCOCC1CN(C(=O)C2(B(O)O)CCC2)C1	2247879038	PITQSDHBFPXJEH-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C(=O)C1CC(B(O)O)C1	2247893430	ROXYAXPFEUUOFP-DKEVHCRPSA-N	241.096	-0.531	50	10	BBGE	
CCN1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894125	COQVYOLWPQISAU-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CCC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCNCC1	2247900706	ZAKHPALFYQOHDB-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
CC(C)ONC(=O)c1ccc(B(O)O)cc1O	2247963193	UXZYNWRKNQZVQA-UHFFFAOYSA-N	239.036	-0.858	50	10	BBGE	
C[C@@H]1C[C@@]1(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248576093	DESUZQIMLMPBIC-QXGNCEJQSA-N	241.052	-0.781	50	10	BBGE	
CC(=CCNC(=O)C1(B(O)O)CCC1)C(=O)O	2248592219	YMCPZVNKPUTFBO-UHFFFAOYSA-N	241.052	-0.469	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1cc(B(O)O)co1	2249412327	WSIIADLJWLLNHX-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249614394	SJRKFWXNCISBDD-KLBPJQLPSA-N	241.335	-0.152	50	10	BBGE	
O=C(C#CB(O)O)N1CC(F)(F)CC12CCC2	2251794136	BKCYZFSIANEDQQ-UHFFFAOYSA-N	243.018	-0.208	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@H]1n1ccnc1	2255469763	UIRVOKROQAFCFY-VHSXEESVSA-N	247.063	-0.892	50	10	BBGE	
CC(=O)Nc1cccc(NC(=O)C#CB(O)O)c1	2255470209	ZSRUQPDFUVPFHX-UHFFFAOYSA-N	246.031	-0.401	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1C	2255512046	TUHXCHVLFZBAJM-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ncccc2B(O)O)C1	2255516675	OSAHESZQZZXKGM-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
CCC=C1CN(C(=O)c2ncccc2B(O)O)C1	2255518599	MUXLYJQNJAAMIQ-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CN(Cc1ccc(=N)[nH]c1)C(=O)[C@@H]1C[C@H]1B(O)O	2255571515	PKLQKAWBKFUQST-RKDXNWHRSA-N	249.079	-0.685	50	10	BBGE	
Cn1cnc2c1CN(C(=O)[C@H]1C[C@H]1B(O)O)CC2	2255584150	UNEZAYZXCCVFDR-JGVFFNPUSA-N	249.079	-0.832	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)cn1	2255716015	NFTKPCLFFDKVQZ-MRVPVSSYSA-N	248.091	-0.368	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@@H]1C	2255746978	CEBUPPHAOSHJOD-CBAPKCEASA-N	249.075	-0.487	50	10	BBGE	
CCn1ccnc1NC(=O)c1cc(B(O)O)co1	2258123679	RSWGCGHRXOPGHJ-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
Cc1cc(=NC(=O)c2cocc2B(O)O)cc[nH]1	2258131686	XTOVCRAMBKWOTD-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
NC[C@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2259939800	GNHRMQWAGCHIDE-YPMHNXCESA-N	246.119	-0.853	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(F)cc1B(O)O	2263402003	OFOMMELKJFSRDP-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H]2CC1=O	2298165382	YIUQBBJSSJJZCF-AATLWQCWSA-N	237.303	-0.129	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCC[C@@H]2C[C@H]12	2298367546	LPTOEZAAAHHIIB-GMTAPVOTSA-N	235.092	-0.056	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2CCN[C@@H]2C1	2298368852	AHJKKCDFNWZAKL-UTINFBMNSA-N	238.096	-0.940	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1NC2)[C@H]1C[C@H]1B(O)O	2298374796	NEBTUVZEVZDCNF-ZOZBQHSOSA-N	238.096	-0.894	50	10	BBGE	
CC(C)[C@H](C)[C@@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375365	HCDBDVKAUWHWMT-JXUBOQSCSA-N	242.128	-0.415	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2298377476	SEQOBLOWWVPDPS-RXKWGBCNSA-N	239.080	-0.921	50	10	BBGE	
Cc1ccc(NC(=O)C2(O)CC2)c(B(O)O)c1	2301850548	LMMHKUFTYVUFMC-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
OB(O)c1cc(NC[C@@H](O)C2CC2)ncc1F	2303847165	DXCWJOCBKYEZOT-SECBINFHSA-N	240.043	-0.917	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)[C@H]3C[C@@H]23)CC1	2309192995	NCGIUSFKQIMHMD-VPOLOUISSA-N	249.314	-0.153	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccoc1B(O)O	2313185665	XGEHXMKJZGKDJO-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(B(O)O)cc2C#N)CN1	2317162633	SMWMDCCKIPDANJ-LDYMZIIASA-N	246.075	-0.633	50	10	BBGE	
CCOC(=O)C(=O)/C(C)=N\NC(N)=O	38271617	GLXAZYHERNYMIU-WTKPLQERSA-N	201.182	-0.837	50	10	BBGE	
N[C@](CCl)(Cc1c[nH]cn1)C(=O)O	39403528	HLKHGMWYAADBPJ-ZETCQYMHSA-N	203.629	-0.027	50	10	BBGE	
CCCO[C@H]1CCCN(C(=O)C(=O)NN)C1	42426516	JOWTUOSHZOEIPQ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
CCn1nc2c(c(C(=O)NN)c1=O)CCCC2	77067444	VHNKPQVGNXDOHX-UHFFFAOYSA-N	236.275	-0.255	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CCOC	82470197	DFEGZUJYFNJKLG-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
Cc1cnn(C[C@@H]2CC[C@@H](C(=O)NN)O2)c1	82471451	OOIKDSBOYJGRGM-IUCAKERBSA-N	224.264	-0.271	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1C[C@@H]2CC[C@@H]1C2	106518805	MQXXPLNZHTZYSF-KDXUFGMBSA-N	225.292	-0.083	50	10	BBGE	
C=CCOCC(=O)N1CCC(C(=O)NN)CC1	110554907	GVRAQBJSFKOPAC-UHFFFAOYSA-N	241.291	-0.583	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCCC[C@@H]1CO	125035240	PRYVRBGBNNHWKE-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C(C)(C)CO	134188636	GZJWBEFBICFHAC-QMMMGPOBSA-N	217.313	-0.296	50	10	BBGE	
CC(C)CCCCNC(=O)C(=O)NN	147758951	RBHXXEZYBNEXGQ-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(=O)O)C1	149081145	TUFVHOJVGBOZHZ-ZCFIWIBFSA-N	201.226	-0.421	50	10	BBGE	
COc1c(B(O)O)ccc2cccnc12	212150253	AQDMFQQYJVKFLP-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CN)C1	219252975	QVDNAWKJKHNCAJ-DTWKUNHWSA-N	214.313	-0.574	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOc2ccccc2C1=O	228236010	LRRGLENLZMTINA-MRVPVSSYSA-N	249.270	-0.100	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C[C@@H](Cl)C#N	228520066	BIVDHGQSPWCRRD-WDSKDSINSA-N	215.640	-0.536	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](C(N)=O)C1	236255268	UILKLTDVTZDJHV-RNFRBKRXSA-N	201.657	-0.075	50	10	BBGE	
NNC(=O)c1nccc(Br)n1	238563606	GVCURRZSDHNREM-UHFFFAOYSA-N	217.026	-0.157	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1	252602905	FLZJNCZZQSPVIZ-UHFFFAOYSA-N	248.286	-0.051	50	10	BBGE	
CN(C(=O)CNC(=O)CCl)C1CCOCC1	258849798	YOYHVMYGCICYKT-UHFFFAOYSA-N	248.710	-0.021	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CCCCO1	300019702	KYCVWGAXZOVCFK-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@](C)(C(N)=O)C1	300530986	MAMCKSDEJRWYKW-LAEOZQHASA-N	242.323	-0.802	50	10	BBGE	
CNC(=O)[C@@H]1CCN(S(=O)(=O)CCl)C1	306904719	KHCHYEHCLHNBBD-ZCFIWIBFSA-N	240.712	-0.420	50	10	BBGE	
Cn1nncc1CNC(=O)CBr	307389998	RNPPSVYJDPFZSN-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2C[C@H]2C1	307542568	ZNRPAFMRIBYLQE-QWRGUYRKSA-N	217.077	-0.182	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CN)C1	309047859	ODRHBWMZEZPEJY-XKSSXDPKSA-N	214.313	-0.719	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CN2CCC1CC2	309296869	XGIKPPVUZGWXKS-WCBMZHEXSA-N	226.324	-0.609	50	10	BBGE	
O=C(CBr)NCCc1nn[nH]n1	379322836	LSCADGUKWDXFMX-UHFFFAOYSA-N	234.057	-0.747	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCN(C)C[C@@H]2C1	381687200	YXQLHSFRHJIFSZ-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCN(C)C[C@H]2C1	383972270	YRWMPJUJAYHYLY-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CC1(O)CN(Cc2ccc(C(=O)NN)cn2)C1	384076268	WLEQHVGBEBTVRE-UHFFFAOYSA-N	236.275	-0.748	50	10	BBGE	
Nc1c(B(O)O)ccc2c(CO)csc12	396239439	BEXOKFSCVPEULN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=Cc1c(CO)cc2sccc2c1B(O)O	396335192	JZTZLFDEYUMMKX-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(B(O)O)c(F)c1	404913018	CWUDISMVHGJNJA-MRXNPFEDSA-N	245.084	-0.009	50	10	BBGE	
CC(C)C(=O)N(C)Cc1ccccc1B(O)O	405033600	PWQIJANDDVPCHK-UHFFFAOYSA-N	235.092	-0.019	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NNC(N)=O	686472811	UCIWAOITWPSFFA-NGJCXOISSA-N	201.226	-0.501	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@@H](C)[C@@H](C)C(=O)NN	688141863	AUFINTGSWIQUIP-IMSYWVGJSA-N	229.324	-0.032	50	10	BBGE	
CN(CCCCC(=O)NN)CC1CN(C)C1	692720089	RIVZWKDEBFTPHL-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CCN(CC1CN(C)C1)[C@H](C)[C@@H](C)C(=O)NN	692729223	XIHOLCWDXPHUAC-NXEZZACHSA-N	242.367	-0.116	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2ccc(B(O)O)n2)O1	694226572	DQDHUSQYRJDDKZ-YUMQZZPRSA-N	210.042	-0.870	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2COc3ccccc32)c1	694530106	CZTGWOFQQZJMDM-SECBINFHSA-N	244.059	-0.261	50	10	BBGE	
O=C(NCB(O)O)c1cc(O)ccc1Cl	702018215	RGCQTESTONISBM-UHFFFAOYSA-N	229.428	-0.213	50	10	BBGE	
Cn1cncc1CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703412300	RONXIEWLMXRROZ-UWVGGRQHSA-N	249.270	-0.121	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCN1CCC1	703424978	NTQMVYFIZDNVRC-RKDXNWHRSA-N	224.260	-0.392	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@H](C2)C1	703894716	LSKQQVVDDUASRW-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CNNC(=O)CNC(=O)c1cccs1	707544529	NXGBQAYXNNJRED-UHFFFAOYSA-N	213.262	-0.272	50	10	BBGE	
NNC(=O)CCCN1C[C@H](F)[C@H](F)C1	714557822	GAHYIICGZYVVCT-KNVOCYPGSA-N	207.224	-0.252	50	10	BBGE	
NNC(=O)CN1CC[C@H]2CC[C@@H](O)[C@H]1C2	721713531	ARXIDKGXIATYLT-IWSPIJDZSA-N	213.281	-0.788	50	10	BBGE	
CS(=O)(=O)c1cnn(C[C@@H](O)CCl)c1	725252731	WRHJIAJCQORVGX-LURJTMIESA-N	238.696	-0.114	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)C1CCC1	732142035	RBWFCWBEBBLBRC-UHFFFAOYSA-N	244.291	-0.013	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cc2n(n1)CCC2	853301716	MOWTTXCWBJYNAV-UHFFFAOYSA-N	235.291	-0.159	50	10	BBGE	
Cc1cc(=NNC(=O)[C@H]2COC(=O)N2)cc[nH]1	862513472	GJAOYLGHWFOKLL-MRVPVSSYSA-N	236.231	-0.637	50	10	BBGE	
CC(=O)CCN(C)C(=O)c1cccc(B(O)O)c1	863878359	RBIPKAWQLWDVNU-UHFFFAOYSA-N	249.075	-0.583	50	10	BBGE	
CC(=O)NNC(=O)COC1CCN(C)CC1	1333043414	DUBQNZJRPFLUGN-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
O=C(NN=Cc1cncnc1)C(=O)N1CCCC1	1343882055	LZUHEBZOWZEJBH-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](O)c1ccccn1	1464482018	AFTAVRJKBLHMGL-MRVPVSSYSA-N	238.247	-0.535	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnn2c1OCCC2	1472574136	LQPXBOBZPCMIEG-UHFFFAOYSA-N	249.234	-0.459	50	10	BBGE	
O=C(NNC(=O)c1ccc(O)cn1)NC1CC1	1542334796	FLJYKKDIJLBRPP-UHFFFAOYSA-N	236.231	-0.106	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CCO[C@@H](C)C1	1559874441	QKOJMFRBNQMBJF-VIFPVBQESA-N	243.307	-0.490	50	10	BBGE	
CC(C)c1cc(C(=O)NNC(=O)CO)no1	1654450976	MCQGZXAFJIEHFK-UHFFFAOYSA-N	227.220	-0.449	50	10	BBGE	
N[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1877519553	GOKHYTXCYKYBFR-CWKFCGSDSA-N	218.684	-0.154	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@H]1C[C@H]1Br	1881349492	RCRMZSJMQMORKP-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
NC[C@H](O)C(=O)N1CCSSCC1	1881768812	OQVDBLUXRFSHOG-LURJTMIESA-N	222.335	-0.470	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CCCl)C[C@H]2O1	1884556621	VKFUZTUJUQELHD-NTSWFWBYSA-N	218.640	-0.066	50	10	BBGE	
CC[C@H](CO[C@@H](C)C(=O)NN)N(C)C	1885003332	QHNLGXLTVWKVRI-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
CN(N)C(=O)Cc1csc(NC=O)n1	1885427081	ZKEGWTBPUDLOKY-UHFFFAOYSA-N	214.250	-0.414	50	10	BBGE	
C[C@@H](N)CCC(=O)NN(C)S(C)(=O)=O	1888599221	UMEZYEJKUFHWQU-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2Cl)CC(=O)N1	1893474563	KJGBAQKLJMABBK-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
O=C1CN([C@@H]2[C@@H]3CCCO[C@@H]32)CC(=O)O1	1893946224	LABWNHRAACUOPB-QUNWWBBNSA-N	211.217	-0.451	50	10	BBGE	
C=C(CN1CC[S@](=O)C[C@H]1C)B(O)O	1895097332	OPEJZWBDPQHSPP-CLAHSXSESA-N	217.099	-0.993	50	10	BBGE	
COCc1nccn1C[C@@H]1C[C@H]1C(=O)NN	1896013370	NRRIJWLJRFJVMU-JGVFFNPUSA-N	224.264	-0.345	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@@H](F)C1	1900256145	DUCXXTHAQFWPBM-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CN(NC(=O)[C@@]12C[C@H]1C[C@@H](N)C2)S(C)(=O)=O	1901375933	SYJCYHPKCVMOBD-ZXFLCMHBSA-N	247.320	-0.964	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C#C[C@@H](C)N	1902015113	VSNWAXPCSVNMBS-MRVPVSSYSA-N	247.320	-0.960	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@@H]3C[C@@H]32)n1	1902640061	YTRSSEAGCZXERE-SFYZADRCSA-N	238.121	-0.193	50	10	BBGE	
Cc1nc(=NS(=O)(=O)CCCl)n(C)[nH]1	1905144007	VBXZPGASPHQPIF-UHFFFAOYSA-N	238.700	-0.474	50	10	BBGE	
CN(C1CC1)C1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1907140613	FGRUCQKGUAKKGG-GZMMTYOYSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H](O)[C@H](F)C2)C1	1908357247	GJIDUYIOUKMLSN-SGIHWFKDSA-N	245.298	-0.593	50	10	BBGE	
O=C(C=Cc1nc2ccccc2o1)NCB(O)O	1911738447	GHICVKSSFMGYGW-UHFFFAOYSA-N	246.031	-0.031	50	10	BBGE	
C[C@H](CN1[C@H](C)COC[C@H]1C)C(=O)NN	1912261164	CVHZBRQCJJKSOO-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CC(F)C1	1917270307	ZSQBFQLOOFSNEY-UHFFFAOYSA-N	223.056	-0.171	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CC[C@H]2C1	1928178953	KRPGJVBLSPVQMQ-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]1CO	1929740772	MIKJJQIXOUMWBD-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
N#C[C@@]1(C2CC2)CCN(CC(=O)NN)C1	1930186961	DNJLLUGRZJSNGJ-JTQLQIEISA-N	208.265	-0.398	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CCCO2)C1	1930891653	DQSMHGUJIUAJPZ-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)CO	1931760307	IPBRVUCXAAXJQJ-YFKPBYRVSA-N	210.324	-0.567	50	10	BBGE	
CO[C@@H]1C(=O)N=C([C@H](C)Cl)NC1=O	1933921461	ZYJSUFDEAQGDKW-VKHMYHEASA-N	204.613	-0.316	50	10	BBGE	
CC[S@@](=O)NCc1sc(B(O)O)cc1C	1935196354	BWKRAWWCPLWCEW-OAHLLOKOSA-N	247.150	-0.490	50	10	BBGE	
C[C@@H]1COCCCN1C[C@@H]1C[C@H]1C(=O)NN	1936094368	MNLNAYHJGVFYIZ-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	1937337103	RWIKJWDRXQJADU-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@@H]1COC[C@H]1Cl	1939166659	LAKGQHMJKLKNHM-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1940525689	TXZLYLYDZQTINO-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2OCC[C@H]2C1	1940889393	CHZAORLGRQFEPS-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](C2CC2)C1	1941085345	CWRJKGOGRYZMBG-HBNTYKKESA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@@H]2CCCC[C@@H]21	1943002844	NRCSLYVPTANCIW-BDAKNGLRSA-N	241.291	-0.606	50	10	BBGE	
O=C(C1CCOCC1)N1CC[C@@H](B(O)O)C1	1951320570	MSCLSJBKBDQIDN-SECBINFHSA-N	227.069	-0.512	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@@H](O)C[C@H]1O	1953618346	FHIDSOKGPBUSSM-HSUXUTPPSA-N	238.081	-0.618	50	10	BBGE	
N#CC1CCN(S(=O)(=O)N=C=O)CC1	1956213793	VASOJSJSWOOXKK-UHFFFAOYSA-N	215.234	-0.197	50	10	BBGE	
CC[C@H](OC)C(=O)N1CCC(B(O)O)CC1	1964499838	CSIJAOTWVKCUAP-VIFPVBQESA-N	229.085	-0.123	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCc2nccn2C1	1976546870	NOBNYHIWDCPEGT-ZCFIWIBFSA-N	223.236	-0.855	50	10	BBGE	
C[C@H](CN(C)Cc1cn(C)cn1)C(=O)NN	1976739734	POFAVSYCZXXBJP-MRVPVSSYSA-N	225.296	-0.522	50	10	BBGE	
CON([C@H](C(=O)NN)C(C)C)[C@@H]1CCOC1	1978751795	ZNCWBKDSOPBYFO-BDAKNGLRSA-N	231.296	-0.347	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1CCCCC(=O)NN	1981192360	QTALXOGOCGKRHZ-JDNHERCYSA-N	247.364	-0.401	50	10	BBGE	
COC(=O)C1CN(C(=O)NC(=O)[C@@H](C)Cl)C1	1982152990	GIQJOVFLZVAFPL-RXMQYKEDSA-N	248.666	-0.045	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568273	SAPODRBSNICGOC-SGIHWFKDSA-N	227.308	-0.400	50	10	BBGE	
CC(C)[C@H](OCCn1cccn1)C(=O)NN	1986446581	VOASPPWZZAWTHF-VIFPVBQESA-N	226.280	-0.086	50	10	BBGE	
CC1(C)OCCC[C@H]1CNC(=O)C(=O)NN	1987325467	NPMYISZIZVNYCB-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
CC[C@@]1(C)C[C@H](N(C)C(=O)C(=O)NN)CO1	1988316675	VMXSVDZIRYSNKV-XVKPBYJWSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CC1	1990039341	OQKUCAHKOKCOII-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN1CC[C@H](CNC(=O)NC(=O)CCl)C1=O	1990445554	UKTFTWMOKZPHNJ-ZCFIWIBFSA-N	247.682	-0.471	50	10	BBGE	
NCC(=O)NCc1cn(C[C@@H]2C[C@@H]2Cl)nn1	1991432118	ITJHWGJMBQOPIP-XPUUQOCRSA-N	243.698	-0.520	50	10	BBGE	
C[C@H](CNC(=O)/C=C/C(=O)Cl)c1nn[nH]n1	1991703580	IRXMCBVQSQUXEC-WVSAJJKCSA-N	243.654	-0.259	50	10	BBGE	
CCc1nc(C(=O)NCC#CB(O)O)cs1	1992152699	HPVWOIPFXRKIED-UHFFFAOYSA-N	238.077	-0.549	50	10	BBGE	
CC[C@@H]1CC[C@@H](Cn2cc(B(O)O)cn2)O1	1993523450	KVBGGBORQHBISA-ZJUUUORDSA-N	224.069	-0.480	50	10	BBGE	
CCN(CC)CC12CC(C(=O)NN)(CO1)C2	1993891457	QYKGVBUJJDECAQ-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(N2CC(F)C2)C1	1996926681	ROAZLMAAEMTIKI-QMMMGPOBSA-N	244.314	-0.517	50	10	BBGE	
O=C(C[C@@H]1C=CCC1)N[C@H](CB(O)O)C(=O)O	1998126491	SYIXUQLWSHLJRZ-HTQZYQBOSA-N	241.052	-0.615	50	10	BBGE	
CCOCCCOc1ncc(B(O)O)c(C)n1	2004935103	VQVSXBAPCMUZCV-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
CO[C@@]1(C)CCN(c2ncccc2B(O)O)C1	2004936095	UVDDXIXZRKQRFD-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N2CCCCCO2)c1B(O)O	2004972261	CIMRXUCBPVUKSS-UHFFFAOYSA-N	237.068	-0.613	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NNC(C)=O)CC1	2019208289	GACSNHSUVNDBIR-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc([N+](=O)[O-])c[nH]1	2020061678	JOFKLFPXRJLLBL-UHFFFAOYSA-N	238.996	-0.779	50	10	BBGE	
CN(C[C@H]1CCC2(CC2)CO1)C(=O)C(=O)NN	2025103561	LJSZXYKRUXZEHQ-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1cc(B(O)O)ccn1	2025659992	MTRNZMNPGJQTMD-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
COC[C@@H](C)COc1cc(C)c(B(O)O)cn1	2026074257	LEKWGACSKIRRBD-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ncc(B(O)O)cn3)C[C@@H]12	2042944453	NMUBPTTZZGIXMB-CDOJRTKCSA-N	247.063	-0.859	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H]2CC[C@@H]3N)CC1	2057692840	JQRMAIGNFQGSSK-GBIKHYSHSA-N	249.314	-0.009	50	10	BBGE	
CCOc1cc(OC)c(OC)c(B(O)O)c1	2060047501	HWHCQZBFIBEYFM-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
C#CC1(CNC(=O)c2ccccc2B(O)O)CC1	2079010728	STVYZVBEHWMWDJ-UHFFFAOYSA-N	243.071	-0.490	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CC[C@@H]1CO	2209114966	BENFCSIJXVEUJP-RQJHMYQMSA-N	227.713	-0.085	50	10	BBGE	
CCN1CC[C@H](OCCC(=O)NN)C1	2209995480	RQVYSRLRNRJYQW-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cccnc1=O	2211839324	SNOWLPJVPADYJV-SFYZADRCSA-N	222.248	-0.741	50	10	BBGE	
Cc1sc(CN(C)C(N)=O)c(B(O)O)c1C	2211917161	FENJGXQKYGIVPE-UHFFFAOYSA-N	242.109	-0.445	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(CCCO)C1	2212384616	VWFBUSXBEJFQBW-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CC1(C)CC[C@@H]1Nc1ncc(B(O)O)cn1	2212612689	NHNNZCVQJZTYFI-QMMMGPOBSA-N	221.069	-0.243	50	10	BBGE	
COCCC1(Nc2ncccc2B(O)O)CC1	2217174162	WSWTWGGAWOHUCX-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@@H]2CN)cc1B(O)O	2217179623	AAYLVIUVQUQHJI-PSASIEDQSA-N	235.096	-0.781	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Oc1ccc(B(O)O)cn1	2217184235	NSRLECIIHFZDHK-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1c1ncccc1B(O)O	2217196214	QQUGLTHLOXVURY-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@@H](O)C(C)(C)CNc1ncccc1B(O)O	2217201635	FBQQTRNLGINFFH-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
CC1(C)OC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1=O	2217467834	ABPYPOBCJMMIGP-RITPCOANSA-N	241.247	-0.630	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ccn(C)n1	2223633873	CINPPJYTGFXYBS-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CO[C@@H](C3CC3)C2)c1	2223665897	IUCJJXHCIBVIEB-GHMZBOCLSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)nc1	2223677069	JPHPCLLLRVPXSP-QWRGUYRKSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncccn1	2223680210	ZRHULAWLTHGHJZ-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
CC[C@@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241339191	YWNKHXHZJHUNOB-ZETCQYMHSA-N	242.728	-0.485	50	10	BBGE	
O=C(NC1CC1)c1ccc(B(O)O)s1	2241480926	MTDAMVYDXQGVQT-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
CN(CC(F)F)C(=O)C1(B(O)O)CC1	2241480988	NMULXQBRDYYGBA-UHFFFAOYSA-N	206.985	-0.283	50	10	BBGE	
CN[C@H]1CCCN(C(=O)NN(C)C)C1	2241674206	OKYVOZXJFLDJQD-QMMMGPOBSA-N	200.286	-0.144	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1cscc1B(O)O	2243348075	SQBSVALCWRTBDV-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ccoc1B(O)O	2243349018	DGOHZWIHKMAZII-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
C=CCCCNC(=O)c1coc(B(O)O)c1	2243349665	OUDNBORNTOFLKB-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243363319	FARNHQDIKCVEBL-JGVFFNPUSA-N	227.069	-0.371	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@H](C)CF	2243377826	HPDLUOLRAUFRAL-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C(NC1CC(CCO)C1)[C@H]1C[C@H]1B(O)O	2243392987	ZDADRDBVKQSVGB-ABIFROTESA-N	227.069	-0.874	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)C1CC(B(O)O)C1	2243396542	NRAKHPHHGCSUBL-ABIFROTESA-N	227.069	-0.731	50	10	BBGE	
CN(C)CCCNC(=O)C1CC(B(O)O)C1	2243397368	ZSIVZTDYSDGTCK-UHFFFAOYSA-N	228.101	-0.693	50	10	BBGE	
CP(C)(=O)[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243398853	HXUJIKXJUDONRD-MRVPVSSYSA-N	243.008	-0.775	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](C2CC2)C1	2243401919	ZCUPXSRLVKUHJK-SNVBAGLBSA-N	221.065	-0.350	50	10	BBGE	
CC(C)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243411363	RXLYLAZPAICHGL-ZCFIWIBFSA-N	229.041	-0.781	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)[C@H]1C[C@@H]1B(O)O	2243427385	URUAJKFDGWJOSD-XAMCCFCMSA-N	231.032	-0.908	50	10	BBGE	
C=CC(=O)NCCc1ccccc1B(O)O	2243686461	MUSOZPSOFMQSMC-UHFFFAOYSA-N	219.049	-0.789	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccoc1B(O)O	2244144229	GLXPBYMRSMKGOU-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)co1	2244205043	DVWZYNNCPIQVTE-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(B(O)O)o1	2244267509	SPUNKWMUIDKQLK-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
O=C1COC2(CN1)CN(CCOCCCl)C2	2245322205	PNAGWSSNCZQJLN-UHFFFAOYSA-N	248.710	-0.557	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ccoc1B(O)O	2247739891	CIXOGCGCAMIUSP-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccccc2C1	2247740313	IRCVAWBTGOMIEP-UHFFFAOYSA-N	229.044	-0.413	50	10	BBGE	
CC1CC(C)(NC(=O)c2ccc(B(O)O)o2)C1	2247740492	LJETUEYLIDTSPQ-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1COC(F)F	2247744671	WIFXNDMZNCMQNY-SSDOTTSWSA-N	247.006	-0.768	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1ccc(F)c(B(O)O)c1	2247752501	QNTSLDPUMGDXNV-RKDXNWHRSA-N	241.002	-0.654	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247760237	FAOIUBVOUDTWFN-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2247771419	LXFWKHJBDGKVHO-MRVPVSSYSA-N	232.048	-0.933	50	10	BBGE	
CCCC=CCNC(=O)c1cc(B(O)O)n[nH]1	2247784321	SNHSSCNTMNNMJZ-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787502	PZBZDTMOYKOWPY-YIZRAAEISA-N	241.096	-0.219	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CC2	2247798650	WCMHKZQDNXYNKB-BDAKNGLRSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CO)C1CC(B(O)O)C1	2247798777	XCXVWWRMDVSERL-NFTFJBJSSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)CN1	2247854021	WFDIMIKAQMCMAY-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NOCCF	2247854909	KNUHBQUBOCSYLQ-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]1C1CC1	2247874130	JHBAVSQUWVJZOH-VIFPVBQESA-N	235.048	-0.416	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)C1(B(O)O)CCC1)C2	2247875339	WECABONQSVISFM-WPRPVWTQSA-N	239.080	-0.227	50	10	BBGE	
NCC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247878929	QIXXOWFNOSAMOO-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)CN(C)C	2247878942	QNBVUGWMGMGBKS-SECBINFHSA-N	242.128	-0.303	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)O2)[C@@H]1C[C@H]1B(O)O	2247886477	BWFPEKAENOSSKN-JDDHQFAOSA-N	239.080	-0.325	50	10	BBGE	
C#CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247886524	CINFNHBNXOSJHH-BBBLOLIVSA-N	237.064	-0.900	50	10	BBGE	
Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2B(O)O)n[nH]1	2247895539	ARQQLVQHYLCSPK-JHYUDYDFSA-N	238.056	-0.847	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCCO1	2247895809	BQWVNMKJHXIODY-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](C)C(=O)O	2248579042	XFTIOHXHZLHUMA-XAMCCFCMSA-N	243.068	-0.535	50	10	BBGE	
O=C(O)[C@H](NC(=O)C1(B(O)O)CC1)C1CCC1	2248584793	BLWQZNNMCILBLR-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)C[C@H]1CCN1C(=O)C1CC(B(O)O)C1	2248588445	CTWSHNKJGWQIAL-KAVNDROISA-N	241.052	-0.685	50	10	BBGE	
C=CCCCN(C)C(=O)c1cocc1B(O)O	2249424639	VRMVJVWFUHAHME-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cc(B(O)O)co2)C1	2249440289	MWAHSQGFMDNZLD-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2250336434	OHSPKHITZTVVNV-GPTQDWHKSA-N	239.319	-0.685	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@H]1C[C@H]1B(O)O	2251597520	KSQOLPDBXKCYHX-DTWKUNHWSA-N	235.052	-0.702	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1ccc(B(O)O)o1	2255467688	QNVCJHDQQLPVHX-QPUJVOFHSA-N	249.075	-0.026	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1ccc(B(O)O)o1	2255468762	GJOPOOPXUCJHBU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cn1C1CC1	2255506034	OBTLPEGUUFQJQL-XCBNKYQSSA-N	248.091	-0.359	50	10	BBGE	
Cc1cccc(C(=O)N[C@H](C)CC#N)c1B(O)O	2255509173	IXCPMGOEUZQSIP-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
O=C(NCCc1ccncc1)[C@H]1C[C@@H](B(O)O)C1	2255558352	MREYJQDFYKEUJF-PHIMTYICSA-N	248.091	-0.007	50	10	BBGE	
CN(CCc1ncccn1)C(=O)[C@H]1C[C@H]1B(O)O	2255570780	JCOIINWYJOMVHA-DTWKUNHWSA-N	249.079	-0.660	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1nccnc1B(O)O	2256059157	VMUBXBOVAPPTGQ-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
C=CCC(=O)N1CCc2c(cccc2B(O)O)C1	2256642304	WYBAICREWYDNOS-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@@H]2C[C@H]21	2257490410	BPEJRBXMIAHHCZ-PSASIEDQSA-N	246.075	-0.696	50	10	BBGE	
C#CCN(OC)C(=O)Nc1ccccc1B(O)O	2258290283	VIRZDWDGWIWMEZ-UHFFFAOYSA-N	248.047	-0.605	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1ncco1	2263396549	WSEPETWIUUVMEB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(=O)NC=C1C(=O)N(C)C(=O)C(C#N)=C1C	2297319183	XYZRGYBLHRIRTC-UHFFFAOYSA-N	233.227	-0.155	50	10	BBGE	
COC[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369778	FJMMEDAOVPZXDS-NQMVMOMDSA-N	245.059	-0.564	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298371183	BYYUEDISVXQRSU-DZEUPHNYSA-N	239.080	-0.779	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371660	RGUURIYXTIFBOG-JLIMGVALSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371902	ZEMKGCWYQHYOHV-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
CCN(O)C(=O)c1cc(F)c(B(O)O)cc1O	2301392158	XCEWPSRHFDFRDG-UHFFFAOYSA-N	242.999	-0.938	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](C1)[C@H]2O)C(=O)NN	2303425438	CIFDTBBEORVAIK-DTHBNOIPSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](CF)Nc1cc(B(O)O)c(F)cn1	2303836246	JWUMWGVBAXLUHB-LURJTMIESA-N	246.022	-0.703	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1CC[C@@H]2C[C@H]12	2312857234	BUHVXMLWFCEWKJ-JEZHCXPESA-N	248.091	-0.767	50	10	BBGE	
Cc1cnc(OCC2[C@@H]3COC[C@@H]23)cc1B(O)O	2318839108	ISBZUJOTGCYEKS-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
NCC(=O)NNC(=O)c1cccc(F)c1	49814856	JPFVLHZUVUQNFJ-UHFFFAOYSA-N	211.196	-0.455	50	10	BBGE	
CCCC[C@@]1(C)NC(=O)N(CC(=O)NN)C1=O	70168673	OHFKPPCVUPWVHG-SNVBAGLBSA-N	242.279	-0.523	50	10	BBGE	
NNC(=O)N1CCN(C(=O)c2ccco2)CC1	71548643	NIJYYGGMMCMFGL-UHFFFAOYSA-N	238.247	-0.379	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@H](C)COC	82469479	IVMKEWXYZXUNTC-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
C[C@H](Sc1n[nH]c(=O)n1C)[C@@H](C)C(=O)NN	86314013	YRDNWEXMURVOEZ-UHNVWZDZSA-N	245.308	-0.785	50	10	BBGE	
CC[C@@H](CNC(=O)NN(C)C)C(=O)O	149042259	VOYGEUIUFUYBIE-LURJTMIESA-N	203.242	-0.127	50	10	BBGE	
CSC(C)(C)CNC(=O)C(=O)NN	159202953	QYJOVJYHEHYBPU-UHFFFAOYSA-N	205.283	-0.766	50	10	BBGE	
CCC[C@H](O[C@@H]1CCOC1)C(=O)NN	211802224	KFTXXWXLSOPDRT-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CNCCN(C)S(=O)(=O)CCCl	232299858	XFCBYYBTBDKYHY-UHFFFAOYSA-N	214.718	-0.294	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC([C@H](C)O)CC1	233907266	TVWSGWZOBVVPHC-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	238555512	WJVQYGMISAAMLE-HSNKUXOKSA-N	210.233	-0.111	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)CCCO1	300918312	PKJTYMDYVLYBKU-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CCO	303740554	ARIBOQPJOXDPJR-SECBINFHSA-N	229.280	-1.000	50	10	BBGE	
C[C@H]1OCCN(CCC(=O)NN)[C@@H]1C	307613173	LJHHLNVBYMFBLG-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCOC(=O)[C@@H](Cl)CNC(=O)C(=O)OC	308773552	SOSVSIFUUNEUAF-YFKPBYRVSA-N	237.639	-0.554	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)COC	381266434	UHAFDMRQQGPDEP-JGVFFNPUSA-N	231.296	-0.443	50	10	BBGE	
CN(CCC(N)=O)Cc1ccoc1C(=O)NN	382087862	WGZQCKIKMMLYTM-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
COC[C@](C)(O)CNC(=O)CBr	382571086	RHLCKGKOJHSNOR-SSDOTTSWSA-N	240.097	-0.105	50	10	BBGE	
CC1(C)CN(CC(=O)NN)[C@@H]2COC[C@H]21	384781895	LTCLKDDBELLCQK-HTQZYQBOSA-N	213.281	-0.667	50	10	BBGE	
NC(=O)c1ccn(C[C@@H](O)CBr)n1	388207401	KADJWXRQNGNVEE-YFKPBYRVSA-N	248.080	-0.262	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]2NCNC(=O)[C@H]2C[C@@H]1Cl	389673087	YDUGXYUUBQDSDD-BWBBJGPYSA-N	232.667	-0.250	50	10	BBGE	
CCC(CC)(CCN1CC(O)C1)C(=O)NN	395640128	VTNTXXYPHGCCOJ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CCC(=O)c1c(B(O)O)cccc1C(=O)O	396134002	UAATUUOKCDLWHC-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
Nc1ccc2sc(B(O)O)c(C(=O)O)c2c1	396235845	CBEILBQJMDGDAC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1csc2cc(C=O)c(B(O)O)cc12	396255683	MQKMZMNSOUGTSZ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Nc1cc(C=O)c(B(O)O)c2sccc12	396257697	PMZMKVQFQULILK-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
N[C@H](CO)C[C@@H](Br)C[C@@H](N)CO	397087035	YFSZBYNOFOTJRK-KVSKUHBBSA-N	241.129	-0.831	50	10	BBGE	
CO[C@@]1(CO)CCCN([C@H](C)CC(=O)NN)C1	402882321	ZWJLZOBSFFVWDP-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CCCC(=O)NCc1cccc(B(O)O)c1	405028989	LUFXQWXVSQJNDM-UHFFFAOYSA-N	221.065	-0.217	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)cc1F	405129994	FLGRFVNZFALXSD-UHFFFAOYSA-N	212.973	-0.316	50	10	BBGE	
NNC(=O)C[S@](=O)CC(=O)c1ccccc1	586371560	AKVLLDGRMMTDGM-MRXNPFEDSA-N	240.284	-0.392	50	10	BBGE	
O=C(CCl)NC[C@H]1CNC[C@@H](O)C1	642885783	UQPRRAYHDZCDFD-RQJHMYQMSA-N	206.673	-0.688	50	10	BBGE	
O=C(NCB(O)O)[C@]12CCC[C@H]1OCC2	687414028	QSEUSAORISOXMD-APPZFPTMSA-N	213.042	-0.926	50	10	BBGE	
C[C@H]1CCCN(C[C@@H](C)C(=O)NN)[C@H]1CO	688737973	OIGFUUGQIMKUOQ-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CN1C[C@H](CO)CC[C@H]1C)C(=O)NN	688754640	KRKLBHMWIFKVFD-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
O=C(NCCn1ncnn1)OCCl	692862563	AYDJXYTYLRCSEO-UHFFFAOYSA-N	205.605	-0.404	50	10	BBGE	
Cc1cncc(Cn2nc(C)c(B(O)O)c2C)c1	694275369	HGKIOLOJMCVUEA-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
Cc1ccc(Cn2nc(C)c(B(O)O)c2C)cn1	694278138	XJJJGDCBOCUQDT-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
COC[C@H](O)CN(C)[C@H](CC(C)C)C(=O)NN	695061085	MPDIQVCDPUSPMT-NXEZZACHSA-N	247.339	-0.670	50	10	BBGE	
O=C(CSc1cccs1)NCB(O)O	702017060	GRIUZSJTOYJVMO-UHFFFAOYSA-N	231.107	-0.032	50	10	BBGE	
Cc1c(C[C@@H](Br)C(N)=O)nnn1C	706079197	KYXRTCUVMRGDJB-RXMQYKEDSA-N	247.096	-0.085	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C[C@H]1C	706195310	WAFGUAJYSMNBCQ-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCNC(=O)CC1(C)C	708099094	FRMZJXSQTANOPX-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCN1CCNC1=O	722407324	WPZRXHKXTYUHRK-ZCFIWIBFSA-N	219.672	-0.245	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)nn1	855188243	DQSZQAKRNWRDPO-RNFRBKRXSA-N	249.274	-0.378	50	10	BBGE	
C[C@H]1OCC(=NNC(=O)CS(C)(=O)=O)[C@H]1C	863184250	VBCOONZCKIXDCP-NKWVEPMBSA-N	248.304	-0.442	50	10	BBGE	
O=S(=O)(CCCCl)NCC1OCCO1	1260059345	HQOMGKJDNBYFHH-UHFFFAOYSA-N	243.712	-0.092	50	10	BBGE	
Cc1cnc(C(=O)NNc2nnc(C)n2C)cn1	1331677493	XZMBSEKOBXUMMO-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
Cc1nnc(NNC(=O)CNC(C)(C)C)n1C	1351619803	OMVOTDGJGISBFO-UHFFFAOYSA-N	240.311	-0.045	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NNC(=O)c1cnn[nH]1	1464920392	QTIPRUIOHZJCBP-CWKFCGSDSA-N	249.274	-0.142	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnc(O)n1C	1544455039	QNLGTHIAVVFWQI-UHFFFAOYSA-N	241.251	-0.522	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC(=O)NOC	1558637063	JBYRWXRLRYJRGH-VOTSOKGWSA-N	227.220	-0.776	50	10	BBGE	
CSc1ncc(C(=O)NNC(C)=O)c(O)n1	1623586353	SFYZUWIUZLDWKK-UHFFFAOYSA-N	242.260	-0.315	50	10	BBGE	
N#CC1(CNC(=O)NNC(=O)c2cn[nH]c2)CC1	1681908532	VHUWGDAJNGUXRC-UHFFFAOYSA-N	248.246	-0.343	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)C[C@@H]1F	1881831770	CPKRFTXOEDSTCH-RNJXMRFFSA-N	211.664	-0.152	50	10	BBGE	
CS[C@H](C)C(=O)Nc1ccnc(B(O)O)c1	1899673206	GMIHCRHOSVTZPE-ZCFIWIBFSA-N	240.093	-0.549	50	10	BBGE	
NNC(=O)CCOCc1nnn2c1CCC2	1901090192	PYLGRZYNABENJM-UHFFFAOYSA-N	225.252	-0.879	50	10	BBGE	
CN(NC(=O)/C=C/CN)S(=O)(=O)C1CCC1	1901342363	KKXDRSAZLUYHMM-ZZXKWVIFSA-N	247.320	-0.653	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCNCC1)S(C)(=O)=O	1901343574	DYFIHIMVLCJPGY-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
Cn1ccnc1C(=O)N1CC[C@@H](B(O)O)C1	1902523093	WXEJHHQETQJXIS-SSDOTTSWSA-N	223.041	-0.891	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1csc(C)c1B(O)O	1902859886	MCSMXNIIGAJVFR-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
NNC(=O)N1CC[C@@H](OCCCO)C1	1906632417	UJLULEAKBOHUBZ-SSDOTTSWSA-N	203.242	-0.957	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(C)(C(N)=O)C1	1914231934	JRVWSFLEADFVME-YFKPBYRVSA-N	204.657	-0.053	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCCCC(=O)NN	1914253811	COKWEMCLRXEHEI-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@H]1C	1914335194	OMZVNYKUHQYEMQ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
Cc1nc(C)n(CCOCC(=O)NN)c1C	1918131618	WZXMUEHYIPDPGW-UHFFFAOYSA-N	226.280	-0.185	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCSCC1=O	1927812779	PEQNFWNDGLUNAP-UHFFFAOYSA-N	239.247	-0.813	50	10	BBGE	
C[C@H]1CCS[C@@H]1C(=O)NNCCO	1930900147	OHQCUWPZENGHHZ-BQBZGAKWSA-N	204.295	-0.259	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC=CCO2)C1	1931383735	ULCFBHJDDOHHEH-QMMMGPOBSA-N	211.265	-0.604	50	10	BBGE	
O=C(CCl)NC1CC2(C1)CS(=O)(=O)C2	1931786064	CVGBIROKCFISQX-UHFFFAOYSA-N	237.708	-0.081	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC[C@@H](Cl)C1	1933141464	SOFGNFSMTNPAND-SSDOTTSWSA-N	237.708	-0.129	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)C[C@H]2CO	1944028818	FSYVCJJYSWUXPX-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@H](O)C[C@@H]1O	1953618349	FHIDSOKGPBUSSM-JKUQZMGJSA-N	238.081	-0.618	50	10	BBGE	
O=C(NNCCO)[C@H]1CC2(CC2)CO1	1954974398	XUBKNZJORNBRLF-SSDOTTSWSA-N	200.238	-0.831	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)C(F)(F)C1	1955222858	NFVKXMKYHVLAFA-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
CC[C@@H](O)CN(C)CCCC(=O)NN	1955926731	PZOMMQJYKANWCQ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1C	1962492181	ALWMXUHLYBBENR-YIZRAAEISA-N	215.297	-0.421	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](F)[C@@H](C(=O)O)C1	1974547116	AEJGJEHZLSYBEU-NTSWFWBYSA-N	219.216	-0.473	50	10	BBGE	
CC(C)C[C@H](OCCN(C)C)C(=O)NN	1974644107	BJDZWYYXEXNLQO-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)CC1(F)F	1975944167	NJJIHIRARBUSEX-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@H]2CC[C@H]12	1976586821	VCONLOFRTANQET-OYNCUSHFSA-N	227.308	-0.421	50	10	BBGE	
OB(O)c1cnn(C[C@H]2[C@H]3CCCC[C@H]32)c1	1979760333	OOIJDXDJKIDQFQ-JGPRNRPPSA-N	220.081	-0.001	50	10	BBGE	
Cl[C@@H]1COC[C@H]1CCNCCn1cnnn1	1979873817	BEBUXUYMBSUORV-RKDXNWHRSA-N	245.714	-0.093	50	10	BBGE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N1CC(=O)OC(=O)C1	1980849744	FHWQLXWQHYZWGN-NKWVEPMBSA-N	249.288	-0.807	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)c1cccnc1	1980914259	OERQLACMKMIJOZ-VIFPVBQESA-N	224.264	-0.477	50	10	BBGE	
OB(O)c1cnccc1N1CCCSCC1	1981426870	QTXMIZCYTWZPKF-UHFFFAOYSA-N	238.121	-0.295	50	10	BBGE	
Cc1nc(N(C)C(C)(C)C)ncc1B(O)O	1981445127	CWXQDJVCUSUYLD-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]3C2)n1	1981468898	JQGHVNAWMSEIBM-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
NNC(=O)CN1C[C@@H](O)C2(CCCCC2)C1	1982144277	GNQZQAREGKYECM-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	1982267310	ZTTSMTRSRAWVRW-OWUUHHOZSA-N	227.308	-0.419	50	10	BBGE	
Cc1cnc(OCCN(C)C)c(B(O)O)c1	1982813994	FIVLAOCZBFDVBG-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=C[C@@H](O)C1	1984131368	FWSVNQDAIAVNHI-SSDOTTSWSA-N	235.234	-0.766	50	10	BBGE	
CC[C@H](O)CN(C)CCC(F)(F)C(=O)NN	1984133185	ZLDIXLIUMZFYGD-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCn1cc(B(O)O)cn1	1987333081	BFAOTBKTIQFCPI-WCBMZHEXSA-N	224.069	-0.622	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1991674973	KHSBAAWYTQAPNG-WJACCPHDSA-N	245.706	-0.044	50	10	BBGE	
CC1(C)C[C@](C)(CO)CN1CCC(=O)NN	1992771865	WQDSBGIAZYBKGU-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
COc1nn(C)cc1CN(C)CCC(=O)NN	2002562022	DAVCKJPWVUEYPT-UHFFFAOYSA-N	241.295	-0.760	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CO[C@@H](C)C2)n1	2004928720	FTASWNSMXXYPAQ-DTWKUNHWSA-N	237.064	-0.374	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(c1ncccc1B(O)O)C2	2004935016	KKJOIRSXTPAQIT-KWQFWETISA-N	234.064	-0.871	50	10	BBGE	
CN(C[C@@H]1CCOC1)c1ccncc1B(O)O	2004940688	ZDORLOJUAOLMHX-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
Cc1nc(-n2cnc(C)c2C)ccc1B(O)O	2004989907	CADHZZAJLPDQNR-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)CC(F)(F)C(=O)NN	2007573944	NXVWHKIDGFNFPF-PRJMDXOYSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975439	PHMSIGVYZSLYNC-HWUMTFDVSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2cnccc2=O)C1	2010833358	QXEISUJZWBCDRV-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](CO)CC1(C)C	2012364551	RLSCBODGDBGWJR-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012898479	RYOPZJROVBZIAE-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
O=C1NC[C@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)O1	2013569591	DJQANASCNRVBIQ-VQVTYTSYSA-N	240.215	-0.989	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	2014231376	JZYXPMKOFANCLB-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
CN(CC12CC(CO1)C2)CC1(C(=O)NN)CC1	2017767474	RKAWDDAGBUUKMM-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
N#CCc1cccc(Cn2cc(B(O)O)cn2)n1	2042232443	IOPBHOCIGJMXOM-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1cccc(B(O)O)c1	2043290420	RXLKJTCIJAIEIK-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
CCN1CCN(c2ccncc2B(O)O)C[C@@H]1C	2052498511	FIUPNIQTAILUHB-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCc1cc(B(O)O)cc(OC)c1[N+](=O)[O-]	2060060497	YUBOCPBJJFVTIT-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(F)c1B(O)O	2060130717	PPVLQDVSDUFGRJ-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1C	2060378663	BMGJXOWYPBADIG-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1OCc2ccccc21	2063804341	PTXKVWVEZNDZCC-JTQLQIEISA-N	249.270	-0.246	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)c1ncnc(C)c1B(O)O	2079404552	MKBAQLGAXBVQJY-UWVGGRQHSA-N	249.123	-0.053	50	10	BBGE	
Cn1cc(COCc2ccccc2B(O)O)nn1	2080318330	CTBYGOWSCVADGN-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
NNC(=O)C1(CN2CCSCC2=O)CCC1	2212266000	KVXDOHLDPSNKQJ-UHFFFAOYSA-N	243.332	-0.278	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212289321	OFZWPHYHLFBGDH-MBTKJCJQSA-N	219.049	-0.061	50	10	BBGE	
CC[C@H](O)CN(C)Cc1cccc(B(O)O)c1	2214596177	PFXMKHKNLIBXON-LBPRGKRZSA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@](F)(CO)C1	2215770637	CTNSNEWFMVQMFI-KKZNHRDASA-N	245.298	-0.591	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)C2(C)C	2215876555	SUZPCWPXQQXUHM-KXUCPTDWSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H]1NCC[C@H]1Nc1ccc(B(O)O)cn1	2217175849	OFCJAYBBYGGUIK-NXEZZACHSA-N	235.096	-0.686	50	10	BBGE	
CC(C)(CCN)COc1ncccc1B(O)O	2217183292	HAOGQNPJSMITKT-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
OB(O)c1ccnc(N2N[C@H]3CC[C@H]2C3)c1F	2217183475	LNJCKCLOYUTDSH-BQBZGAKWSA-N	237.043	-0.854	50	10	BBGE	
CCN(CCCO)c1nccc(B(O)O)c1F	2217185633	ZPOLPCFUQOTGPK-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
C[C@@H](CCCN)Oc1nccc(B(O)O)c1F	2217185715	AMSOUPDHVAYVNU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
CCC(CC)(CN)Oc1ncc(B(O)O)cn1	2217192595	PCGPOERBYVPIAF-UHFFFAOYSA-N	239.084	-0.947	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCNC2)c1	2217194446	WFKGUCWKAIHRPI-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
C[C@H]1C[C@H](CNc2cc(B(O)O)ccn2)CO1	2217200719	ASRLAZPDUDIZTO-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
Cc1oncc1CCNc1ncccc1B(O)O	2223625699	FKNUGBFSNSKFAZ-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CNCC12CC2	2223626085	LSJHMOCVOZBLPA-VIFPVBQESA-N	248.091	-0.860	50	10	BBGE	
Cn1cnc(CCNc2cc(B(O)O)ccn2)c1	2223634404	KIBMRWBKBKEULJ-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
CC[C@@H]1CNCCCN1c1ncccc1B(O)O	2223642884	OQRMAHAGPNZMRL-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)N1CCCC1	2223666283	HXYSLUAOKYCCDB-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3CNCC[C@@H]32)nc1	2223666553	MNZQKDFXZLSPLD-DVVUODLYSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CNC2(CCC2)C1	2223674956	ODMLBEBKRWKNRD-VIFPVBQESA-N	247.107	-0.542	50	10	BBGE	
CCN(OC)C(=O)C1(B(O)O)CCC1	2241472809	XYZNCWSXQCQZJR-UHFFFAOYSA-N	201.031	-0.207	50	10	BBGE	
CO[C@H](CCl)CNCc1nnnn1C	2242448698	HZAIFFIMMALDBN-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1cscc1B(O)O	2243347146	HVGQLTSNVJEDEN-XRGYYRRGSA-N	243.068	-0.484	50	10	BBGE	
O=C(N=c1cc[nH]cc1)C1(B(O)O)CCC1	2243347793	PYQUOOXFZUSHEI-UHFFFAOYSA-N	220.037	-0.161	50	10	BBGE	
CC(C)(C)ONC(=O)c1coc(B(O)O)c1	2243348577	ZWNYRPKUGWXCRQ-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
CCn1ccc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2243392689	WFXMMWSOOPXPKI-NKWVEPMBSA-N	223.041	-0.874	50	10	BBGE	
COCC1(N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243393060	ZTIGQSTYTROUTF-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=C(F)C1	2243401098	MBOINDKDQYOXDN-UHFFFAOYSA-N	224.984	-0.731	50	10	BBGE	
CCN(OC)C(=O)c1nc(C)sc1B(O)O	2243414193	VMXQBZOOTAKXHL-UHFFFAOYSA-N	244.081	-0.845	50	10	BBGE	
CN[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243426348	HFGOTCVDOUMZCZ-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2247737557	IBOUNOXXONJDFS-WRWORJQWSA-N	235.048	-0.559	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(C2CC2)C1	2247737716	IWFRJAWEMLOLCN-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1ccoc1B(O)O	2247741122	UWXVIENKUFLNQO-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(NC[C@H]1CCCOCC1)C1(B(O)O)CC1	2247751145	TYPAFECIAFLDIF-VIFPVBQESA-N	241.096	-0.074	50	10	BBGE	
CCC1CC(NC(=O)c2cc(B(O)O)n[nH]2)C1	2247784443	VBLSJWRQZMQVAS-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)C1CC(B(O)O)C1	2247809059	NKHPEBZEVCEKLN-UHFFFAOYSA-N	237.068	-0.379	50	10	BBGE	
CC(C)[C@]12CC[C@H](NC(=O)C#CB(O)O)[C@@H]1C2	2247846913	OKIHYOUKMFKPLR-JBLDHEPKSA-N	235.092	-0.057	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1C[C@H]2O	2247859857	QGOJPUHZZOSRMS-GRDBIXFFSA-N	239.080	-0.779	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)C1(B(O)O)CCC1	2247873502	CHRGDFVAXYTYHR-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)C2(B(O)O)CC2)[C@H]1C	2247877619	CFRSTEZSNGYZOY-MAUMQABQSA-N	241.096	-0.079	50	10	BBGE	
C#CCN(C)CCNC(=O)C1(B(O)O)CCC1	2247879787	VUTUNFUYFSWRFP-UHFFFAOYSA-N	238.096	-0.935	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247886652	DXXBYJQIATWQKS-KBDSZGMXSA-N	241.096	-0.533	50	10	BBGE	
C/C=C/C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248575753	HXFGWKPTLFHWJT-ZWJCDTMHSA-N	241.052	-0.615	50	10	BBGE	
CC(C)(ONC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248579112	UMSCJCPZFXGBJS-IZLXSQMJSA-N	245.040	-0.850	50	10	BBGE	
CC[C@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2248586284	YNNLOGPELDMNIR-JECWYVHBSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248589742	UIURFAUSPDJIQG-BIIVOSGPSA-N	241.052	-0.685	50	10	BBGE	
CN(C)C(=O)NCc1ccc(B(O)O)cc1F	2248967651	BMDQNJNOIVYCDV-UHFFFAOYSA-N	240.043	-0.723	50	10	BBGE	
CC(C)(C)NC(=O)CN1CCC(B(O)O)CC1	2249359000	VOGKQPMPWKOJAE-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1cocc1B(O)O	2249412646	YWHZQLKTXFUTLC-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249418611	WIJAEHGUVNIEFM-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C[C@@H](CN(C)[C@H]1COC2(COC2)C1)C(=O)NN	2249637629	VIQYEKQSGRCYPK-DTWKUNHWSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2250597981	BLLYFWYSAHJKSV-FXBDTBDDSA-N	241.096	-0.389	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2253336424	YNWIZQPLFLXNJB-FSDSQADBSA-N	248.038	-0.956	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3n[nH]cc3B(O)O)[C@@H]1C2	2255548563	BLITWSRUMFHQCU-GEOGLEFRSA-N	249.079	-0.992	50	10	BBGE	
Cn1cc([C@H]2CCCN2C(=O)C#CB(O)O)cn1	2255673630	RKNZCHSQHCRZOA-SNVBAGLBSA-N	247.063	-0.901	50	10	BBGE	
CC#CCN(C)C(=O)c1c(C)cccc1B(O)O	2255730987	XXTXUJANXSCARO-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2255952284	QRWWSNJOFPVFEC-GMSGAONNSA-N	249.075	-0.400	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CC2)c1c[nH]nc1B(O)O	2260531199	KLLYRNRLQGHWCZ-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298371689	RTVNCXGCNUMPGM-PRAQBBQZSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCNC1	2298376406	VISRQVDVLMDYNN-UTINFBMNSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377610	XRFXOEOTUUUKBB-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2C[C@]1(CO)C2	2299809399	FODTYBKLMFDGMO-UXCLJVHYSA-N	239.319	-0.541	50	10	BBGE	
CO[C@H]1CN(C(=O)C#CB(O)O)C2(CCC2)C1	2300597125	WAXGCASPNNAEDA-SECBINFHSA-N	237.064	-0.828	50	10	BBGE	
COCCOCCN(C)CC(B(O)O)=C(C)C	2301853802	CWHPUYCRKLYVPU-UHFFFAOYSA-N	245.128	-0.070	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@@H]1COC[C@@H]1O	2302053333	RWOCOFIJDLPJFA-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
N#Cc1cccn1-c1cc(B(O)O)c(F)cn1	2303836778	RFARRZXCODFCSR-UHFFFAOYSA-N	230.995	-0.437	50	10	BBGE	
CC(C)[C@@H](N)COc1cc(B(O)O)c(F)cn1	2303853575	VZCQJBCILBFRKZ-VIFPVBQESA-N	242.059	-0.737	50	10	BBGE	
CC[C@H](CCN)Oc1cc(B(O)O)c(F)cn1	2303854394	CCMOGMHPAPWSDE-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2c1ccncc1B(O)O	2310062527	GPHVTFIHTYTDSM-FXAINCCUSA-N	248.091	-0.625	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]2CC[C@H]1O2	2310071563	FIJLIGDGWVDDEI-DVVUODLYSA-N	249.075	-0.904	50	10	BBGE	
NC[C@H]1[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2312409126	OVDOIPKIZCBLHL-RTXFEEFZSA-N	246.119	-0.855	50	10	BBGE	
C#C[C@H]1N(C(=O)c2cc(B(O)O)c[nH]2)CC1(C)C	2314525549	LURASTVDIAOBQQ-SNVBAGLBSA-N	246.075	-0.822	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCCO1	2317201431	OUYIVJVXKIRMIS-LLVKDONJSA-N	247.059	-0.204	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CCCN1	2317209565	SNAFRRDRLSPZRF-NSHDSACASA-N	246.075	-0.631	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@H](CO)C2)cc1B(O)O	2317315953	GSXUEWCCTKDHOJ-JLIMDTESSA-N	249.075	-0.638	50	10	BBGE	
NC1(CNc2ccc(C=O)c(B(O)O)c2)CCC1	2317349606	FXXLXDWOUVLNGM-UHFFFAOYSA-N	248.091	-0.528	50	10	BBGE	
COCCCNC=C(C#N)C(=O)NCC(=O)O	2324946232	XLOWWELGTRHXII-UHFFFAOYSA-N	241.247	-0.779	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCS(N)(=O)=O	54712696	GFKQYVPTWVMMCT-YFKPBYRVSA-N	228.701	-0.734	50	10	BBGE	
N#C/C(C(N)=O)=C(/N)NCc1cccnc1	75627557	XSLJDUPTMKUCGS-CMDGGOBGSA-N	217.232	-0.650	50	10	BBGE	
C[C@@H](CN1CCOC(C)(C)C1)C(=O)NN	82467998	GXXGUIRPIUJBOW-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CN(CCC(=O)NN)C1CCNCC1	82470928	LHQKQMUWOPHJLE-UHFFFAOYSA-N	200.286	-0.950	50	10	BBGE	
CC[C@@H](C)N1CCN([C@@H](C)C(=O)NN)CC1	82471109	CXIZZVJXQKXWQD-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@H](C1)O2)C(=O)NN	86598074	LMOSVBOHLYVODT-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
N#Cc1ncn([C@@H](C(=O)NN)c2ccccc2)n1	104112156	LUQMPSOMZKZJRI-SNVBAGLBSA-N	242.242	-0.271	50	10	BBGE	
C[C@H]1CCN2C(=O)C(C(=O)O)=CNC2=C1C=O	105637433	BEIVNILQEHQWDK-LURJTMIESA-N	236.227	-0.163	50	10	BBGE	
CCN(CCO)CC(=O)NNC(=O)C1CCC1	111200519	VTVKFYBFAYBKJH-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
C/C(C(=O)O)=C(/C)C(=O)NC(=O)NN(C)C	148151950	XLKFDKKLWQBXNW-AATRIKPKSA-N	229.236	-0.290	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@](C)(O)C1	157537211	GKZPFCHHYIOPJA-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](NC(=O)CCBr)C(N)=O	159768597	CJYPWENWJKPTGJ-BYPYZUCNSA-N	223.070	-0.239	50	10	BBGE	
OB(O)c1ccc(CO[C@@H]2CCOC2)cc1	203528702	MLDAFHDFECBOPJ-LLVKDONJSA-N	222.049	-0.328	50	10	BBGE	
CN1CCC(Oc2ccc(B(O)O)cc2)CC1	206644142	LPAXPYHRWAAMBQ-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
N[C@@H](CO)C(=O)OCCBr	215745072	OCCHTVCKJWRDNV-BYPYZUCNSA-N	212.043	-0.756	50	10	BBGE	
COC(=O)/C(C#N)=C1\CC[C@H](C(=O)O)N1	216181409	RSMFGTDOIQUYMZ-WEWAHIQMSA-N	210.189	-0.226	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@H](O)C1	232299472	VUYJGHNCKYSTCZ-LURJTMIESA-N	213.686	-0.378	50	10	BBGE	
O=C(O)COC(=O)COC(=O)CCl	238612198	YAJBETGVHMFVIT-UHFFFAOYSA-N	210.569	-0.604	50	10	BBGE	
N#Cc1ccc(B(O)O)c(C(F)(F)F)n1	238620621	QQAXYRZPWJAKQF-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
OB(O)c1ccc(-c2nccs2)nc1	238646675	UAHSAMZMJHSPOJ-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(CCN)CC1	243680272	PGJSAPSPGDGGHI-QMMMGPOBSA-N	219.716	-0.283	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1CO	251590974	OHICKIUGYZNTEC-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1COCCN1[C@H](C)CC(=O)NN	251836527	QAAFCYCRBWDMNS-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@H]1N(C)C	251844704	QVGAPOBGGPWOHI-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
O=C(CCl)NCCNC(=O)C1CCOCC1	258553700	IJKDUDPXESRYJK-UHFFFAOYSA-N	248.710	-0.116	50	10	BBGE	
CN(C)NC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1	258945629	DEQARAKZEXOWQO-UHFFFAOYSA-N	234.259	-0.009	50	10	BBGE	
COC(=O)[C@H](Br)CNCCO	300008839	LSCCVAKTJCJBPG-RXMQYKEDSA-N	226.070	-0.495	50	10	BBGE	
OB(O)c1csc2c(O)ccc(O)c12	306866644	OEFYEHVOWQTOTD-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CCCCN=c1[nH]cc(C(=O)NN)c(=N)[nH]1	381007097	QSWWEOJLWPEQLG-UHFFFAOYSA-N	224.268	-0.873	50	10	BBGE	
Nc1cc2cc(B(O)O)cc(C=O)c2s1	396256944	NQXVWWIWBBPKNX-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CCCOC(=O)[C@H](C)[S@](=O)CC(=O)NN	586371222	REFWKGWOWMFYCA-WDDATRMLSA-N	236.293	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2COC[C@@H]2C1	690721848	ISVCEHNDEXKFKU-NAKRPEOUSA-N	241.335	-0.031	50	10	BBGE	
Cc1ccccc1Cn1ccc(B(O)O)n1	694309132	OKDAWAAEUXKYQP-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N2CCCC2)C1	697798084	FOJCERFVVKWYIU-SNVBAGLBSA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1ccn(CC2C[C@@H]3C[C@H]3C2)n1	698019450	WHQYTIKPRHAJSN-RKDXNWHRSA-N	206.054	-0.391	50	10	BBGE	
CCOCOc1cc(B(O)O)ccc1OC	704343015	AZOUMRBMFRHWQN-UHFFFAOYSA-N	226.037	-0.252	50	10	BBGE	
COC[C@H](Cn1ccc(B(O)O)n1)C(C)C	721722752	ASFIVEQPFZVQTB-VIFPVBQESA-N	226.085	-0.519	50	10	BBGE	
O=C(CCCl)NC[C@H]1CNC[C@@H](O)C1	722410088	LHWWURPMHZAMIB-SFYZADRCSA-N	220.700	-0.298	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1cn(C)nn1	855184212	UWZUPBHLTWMURD-ONEGZZNKSA-N	209.209	-0.848	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	911294877	GJWIOYDVYQPWSS-ABXVWLFBSA-N	244.316	-0.034	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1cnsn1	923902922	YHXZRQDHBKGZOI-IHWYPQMZSA-N	242.260	-0.498	50	10	BBGE	
O=C(CN1CCOCC1)NN=Cc1cccnc1	1084589229	IDWJEXNPFHPIBM-UHFFFAOYSA-N	248.286	-0.136	50	10	BBGE	
CC(=O)NNC(=O)C1(NC(C)=O)CCCCC1	1136043697	KKDCDAKIGXOGCH-UHFFFAOYSA-N	241.291	-0.007	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CCC[C@H](F)C1	1325911091	XSDQGJJYHFPVEO-BQBZGAKWSA-N	218.228	-0.346	50	10	BBGE	
C=CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C	1336701347	GDRLSXQKVJUXDJ-MRVPVSSYSA-N	232.305	-0.335	50	10	BBGE	
Cc1ncccc1C(=O)NNC(=O)c1ncon1	1439774152	PIXZDWXTFJIYDT-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C1=C[S@](=O)CCC1	1468765494	VRQCUPICAUCADY-ZKANADHPSA-N	246.332	-0.243	50	10	BBGE	
N#Cc1ccc(NNC(=O)Cn2cncn2)nc1	1558272897	CBONIXWAXMXMOQ-UHFFFAOYSA-N	243.230	-0.312	50	10	BBGE	
COCCCNC(=O)NNC(=O)C#CC1CC1	1625733039	CCDGSEGJJGIXJR-UHFFFAOYSA-N	239.275	-0.233	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(C)C(N)=O	1636582836	CLBOQTZIAQGZHR-UHFFFAOYSA-N	229.236	-0.463	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(N)=O	1636582850	CLLRNCBXBIRPLV-QYNIQEEDSA-N	213.237	-0.404	50	10	BBGE	
O=C(NCCC(F)F)NNC(=O)c1ncon1	1685753018	TXBJMRAKKHPUGB-UHFFFAOYSA-N	249.177	-0.331	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1COC[C@H]1O	1877511053	QISHYXFLYINVNR-PHDIDXHHSA-N	219.624	-0.816	50	10	BBGE	
COC[C@H](CN)[C@@H](N)CBr	1880017776	IUWWVZXCSYSYLC-WDSKDSINSA-N	211.103	-0.070	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@@H](O)C1	1882906039	DAFRFVZQZJDNOJ-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
O=C(NOCCCl)[C@@H]1COCCO1	1883010292	MAJBPKNZUXEQGT-LURJTMIESA-N	209.629	-0.312	50	10	BBGE	
COC[C@H](NC[C@@H]1C[C@@H]1Cl)C(N)=O	1883563693	MYICXSWDZFAVBR-ACZMJKKPSA-N	206.673	-0.296	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)CC(=O)NN	1884936845	QFMZAJSVAHVZIZ-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@](O)(CNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893475341	SENPEWZNUIWKNJ-LRMHIPNDSA-N	221.640	-0.435	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475378	SPYPTWIYZWTHMQ-ZXXMMSQZSA-N	221.640	-0.436	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H]2C[C@@H]21	1895126315	RNOBNSHEXYQKCQ-KCJUWKMLSA-N	218.065	-0.250	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1895438536	DESBDQPHCPIYDQ-JLIMGVALSA-N	227.308	-0.278	50	10	BBGE	
CCN1CCCN(CCCC(=O)NN)C1=O	1905293770	OUFXWGNBPXACFP-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
CC1CC(CO)(N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1906277901	BQNOBZVXTCLXER-MBPTXSFVSA-N	241.335	-0.295	50	10	BBGE	
CN1CC[C@@H]2[C@H]1CCCN2CCCC(=O)NN	1908659223	ZYEXAMAMIZCSCF-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@]1(C)NC(=O)N(C[C@H](C)C(=O)NN)C1=O	1912222534	WSODKCAONRHGFN-QUBYGPBYSA-N	242.279	-0.667	50	10	BBGE	
NNC(=O)CCN1CC2(CCCC2)C[C@@H]1CO	1912753135	HIMCCQPWJCIRSB-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccoc1	1913613316	MVTYLEMJUFNTNV-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(=O)N(C)[C@@H](C)C1	1926003074	CWEMJAWTGSANLM-WCBMZHEXSA-N	242.323	-0.837	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1C[C@@H]1C(=O)NN	1927918813	XRIPYZGVYJFZPM-HXFLIBJXSA-N	213.281	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1CN(C)C1	1928160479	JNGHERNLKDEQDE-JGVFFNPUSA-N	214.313	-0.753	50	10	BBGE	
C[C@@H]1CCS[C@@H]1CNC(=O)C(=O)NN	1930911096	OEEMAQIZBUHVPN-PHDIDXHHSA-N	217.294	-0.766	50	10	BBGE	
CN1CC2(C1)CN(C[C@@H](Cl)C(=O)O)C2	1932012050	QFSBSCLXZVAZPH-SSDOTTSWSA-N	218.684	-0.074	50	10	BBGE	
CCOC1(C)CN(CC(F)(F)C(=O)NN)C1	1935924252	ABWWKQNBZMNABK-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](c1ncnn1C)N1CC(=O)OC(=O)C1	1938683436	BSYYMNOCNNHSEJ-LURJTMIESA-N	224.220	-0.739	50	10	BBGE	
NNC(=O)COCCN1CCO[C@H]2CCC[C@@H]21	1941783462	HHUIFPMXXWZYDH-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3OCC[C@H]3C2)CC1	1945892128	KOPXKZQRAUKBQD-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
Cc1cc(CN2CC[C@@H](B(O)O)C2)n(C)n1	1951319949	ASZZREHLFDDRNJ-SECBINFHSA-N	223.085	-0.223	50	10	BBGE	
O=C(C[C@@H]1CCOC1)N1CC[C@H](B(O)O)C1	1951322254	ZNELJDXCKVCIED-IUCAKERBSA-N	227.069	-0.512	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NCC(Cl)Cl	1953764326	DSECDQVZGFFKHA-WUJLRWPWSA-N	215.080	-0.386	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	1957685467	JZKWMFTUSANIHQ-LNRQSERFSA-N	209.293	-0.047	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N(C)C)[C@@H](N=C=O)CO1	1979162688	DOSFTLPKQQJNKC-JGVFFNPUSA-N	249.292	-0.825	50	10	BBGE	
C[C@@H]1C[C@@H]1OCc1nn(C)cc1C(=O)NN	1980591768	BPHALLSBBBBRQA-MUWHJKNJSA-N	224.264	-0.051	50	10	BBGE	
CC[C@H]1CN2CCC[C@@H]2CN1CC(=O)NN	1981077912	VSHIBCJDLKGEAC-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
Cc1ccc(B(O)O)c(S[C@@H]2CCOC2)n1	1981451217	SPFUVAXVPRVNTM-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
CC[C@H](COc1nc(B(O)O)cs1)N(C)C	1983914523	UDQSMDMHBAVMMB-SSDOTTSWSA-N	244.125	-0.458	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSC2CNC2)n1	1984160027	JLVNWQFNHBHWTQ-UHFFFAOYSA-N	241.320	-0.771	50	10	BBGE	
CO[C@H](C)COCc1cc(C(=O)NN)no1	1986051645	HRMWUCPOLTVPQZ-ZCFIWIBFSA-N	229.236	-0.170	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC2CC1C2	1986053747	XHEAWPUVSOYBAF-BMNUFHGDSA-N	227.308	-0.136	50	10	BBGE	
C=C1CON(c2ncc(F)cc2B(O)O)C1	1988002425	XHUCCADDPHLWRV-UHFFFAOYSA-N	224.000	-0.792	50	10	BBGE	
CO[C@]1(CNC(=O)C(=O)NN)CCCSC1	1990328134	KXWHQTDBIPYPGG-VIFPVBQESA-N	247.320	-0.995	50	10	BBGE	
C=CC1(O)CN(c2nc(CCl)nc(=N)[nH]2)C1	1990551165	KJGVLZMQTYIAHP-UHFFFAOYSA-N	241.682	-0.240	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NCC=CB(O)O	1991336071	HUYNDQFUATXTMO-UHFFFAOYSA-N	229.085	-0.126	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)[C@H](C(=O)O)CN1	1991681391	AEOFBBFEWXPTEJ-SRQIZXRXSA-N	246.650	-0.975	50	10	BBGE	
O=C1C[C@H](C(=O)O)N(C(=O)C2CC(Cl)C2)N1	1991696882	PSLNDHNATSEOLS-JMMWHDCWSA-N	246.650	-0.280	50	10	BBGE	
CN1CCC(OC[C@H]2C[C@@H]2C(=O)NN)CC1	1992112501	AGTYTAMPCWLGRN-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]1C1CCCC1	1992975660	ZSTNSEDHIGIMKO-RKDXNWHRSA-N	225.292	-0.081	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCn1cncn1	2003835231	OLXLGDIWICHNCB-DTWKUNHWSA-N	240.311	-0.776	50	10	BBGE	
CN(CCCN1CCCC1=O)CCC(=O)NN	2004406164	FGHIPSWHKFHVTA-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
Cc1ccnc(N2CC[C@H]2C(F)F)c1B(O)O	2004915805	DIZKGCHCCSNFFH-ZETCQYMHSA-N	242.034	-0.086	50	10	BBGE	
CN(C)[C@H]1C[C@@H]2CC[C@H](C1)N2CCC(=O)NN	2006382312	QMPVKZFULWODKV-JGPRNRPPSA-N	240.351	-0.077	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013925660	JMDQHVKMNKQEKG-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@H]2F)ncc1B(O)O	2014735120	LYFAUFIOJPJAQI-VXNVDRBHSA-N	239.059	-0.741	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)C[C@@H]1C	2019208276	FWFOHEIEPDGTOU-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
Cc1ccc(F)c(C(=O)NCC#CB(O)O)c1	2021164024	AXTNKWHRFSNBCA-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
CCC1CN(CC23CC(C(=O)NN)(CO2)C3)C1	2023852812	ILYSTFKIZDSBGJ-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
CN(CCn1cccc1)c1ccc(B(O)O)cn1	2052467872	WGDPADAZXHTXHI-UHFFFAOYSA-N	245.091	-0.301	50	10	BBGE	
CN1CC[C@@H](CN(C)c2ccc(B(O)O)cn2)C1	2052472366	KYQZZJJURDSHIN-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1N(C)C	2052472444	LUWKYBJCRCPJIW-MWLCHTKSSA-N	249.123	-0.852	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)c1ccncc1B(O)O	2052494391	LRNLSXDGOJFSJY-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CCOCC2)C1	2052494718	PUWTWPAEFMFSNG-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
COc1nc(N2C[C@@H]3C[C@@]3(C)C2)ncc1B(O)O	2052628303	YLSNWUMJNIATEV-CPCISQLKSA-N	249.079	-0.989	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)cnc1Cl	2055423035	LEAVROBMZNHCHV-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1[C@@H]2CCO[C@@H]21	2056374515	HHUBRVYBYZKVMA-XROYCOCOSA-N	247.059	-0.660	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC2(CC2)CO1	2058156068	QXFRDQXIRXBIDB-SNVBAGLBSA-N	249.075	-0.903	50	10	BBGE	
CCn1cnc(C(=O)N[C@H]2CCC=C2B(O)O)c1	2076077638	ANBNJBGGFCSRLQ-VIFPVBQESA-N	249.079	-0.266	50	10	BBGE	
CC[C@H](CSC)Nc1ncc(B(O)O)cn1	2212600811	GBBWHSKROQCSLY-MRVPVSSYSA-N	241.125	-0.290	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCC[C@H]1O	2212898246	CNIOUBVVCWMWHO-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2215773748	BYBNXZGMFCWZFJ-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](COC(F)F)Nc1cc(B(O)O)ccn1	2217182518	DMFZSITXKFTGEY-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
CC1(Nc2ccc(B(O)O)cn2)CCNCC1	2217201340	XREQYGWHUSTOLJ-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1cccnc1NCCC1(O)CCC1	2217203978	CPEBFRDDXWBEAN-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCCO[C@H]32)cc1B(O)O	2223644206	GDQVFCQTVQFUCB-GGZOMVNGSA-N	248.091	-0.341	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC23CCOCC3)c1	2223666342	LGPWMVXDKNGSJA-SNVBAGLBSA-N	248.091	-0.258	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1Nc1cc(B(O)O)ccn1	2223669012	FCTKZNZDINSAIX-RKDXNWHRSA-N	249.123	-0.583	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1C(=O)NNCCO	2241614178	FLSQSATYJJFTFZ-VXNVDRBHSA-N	202.254	-0.728	50	10	BBGE	
CN(Cc1nncs1)CC(C)(C)C(=O)NN	2243283727	HJSCVEILCCYRAI-UHFFFAOYSA-N	243.336	-0.014	50	10	BBGE	
C[C@H](O)CCN(C)C(=O)C1(B(O)O)CCC1	2243347775	PPGPRJGHMMSARA-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
CC1(F)CN(C(=O)c2coc(B(O)O)c2)C1	2243348313	WVDDFQRLFQVYKB-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)[C@H](C)CO1	2243357133	RPNFQIZTDVLQLX-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
C[C@H](NC(=O)c1ncsc1B(O)O)C1CC1	2243359290	QGCFLNWBZZLHPW-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccsc1B(O)O	2243359311	QRKGEIIRUDLRIM-HTRCEHHLSA-N	239.105	-0.092	50	10	BBGE	
CC(C)COCCNC(=O)C1(B(O)O)CC1	2243365497	NKBXDBWKALUJEA-UHFFFAOYSA-N	229.085	-0.218	50	10	BBGE	
O=C(N1CC[C@@H](CCO)C1)C1(B(O)O)CC1	2243365550	ODLCGHKVBKFSAA-QMMMGPOBSA-N	227.069	-0.776	50	10	BBGE	
CCCNC(=O)c1ccc(C)c(B(O)O)c1	2243367122	OCUSFMGDFPGPQX-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)c(Cl)c1	2243367149	OKJRCZHDIMVNHU-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N(C)C(C)C	2243385145	DFFUZPQBSQLGHV-UHFFFAOYSA-N	242.109	-0.388	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243391915	OXVUJLYTZWKCSK-KATARQTJSA-N	221.065	-0.233	50	10	BBGE	
CCCCN(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2243395694	AUJXUEGNPRXQNM-DTWKUNHWSA-N	229.085	-0.530	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2nc[nH]c2C1	2243395744	BJEDLFPGEAKYLK-WDSKDSINSA-N	221.025	-0.885	50	10	BBGE	
CSC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243401599	UNBNVWJSNHVIJY-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
C[C@]1(CO)C=CCN1C(=O)C1(B(O)O)CC1	2243409742	NVSWJPMOLMDOBM-SECBINFHSA-N	225.053	-0.857	50	10	BBGE	
CN(CCCF)C(=O)c1cscc1B(O)O	2243410867	JCVTTXMIGNSWIU-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]2C[C@H]2C1)B(O)O	2243414826	ITTFKCCWEPUBSB-IUCAKERBSA-N	245.109	-0.774	50	10	BBGE	
CC(F)(F)C(=O)Nc1ccc(B(O)O)cn1	2243684496	ARABMBLIFQYJTJ-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
Cc1cccc(NC(=O)C#CB(O)O)c1O	2243752598	LATUUUPHAUGAQN-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
COC[C@]1(C)C[C@@H]1Cn1cc(B(O)O)cn1	2243817439	IEJHMWRMHUBWQM-SCZZXKLOSA-N	224.069	-0.765	50	10	BBGE	
C[C@@H](CF)N(C)Cc1nsc(C(=O)NN)n1	2244133230	VKNXPGACFVNFND-YFKPBYRVSA-N	247.299	-0.069	50	10	BBGE	
CC1(C)CC[C@@H]1C(=O)NCCC#CB(O)O	2244546829	RDWRZEIRDXRQRO-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H]1NCC[C@@H]1C	2245103456	KMKSWAYDGQINGJ-IONNQARKSA-N	245.348	-0.115	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C[C@H]2CCCC[C@H]21	2246630351	NKLGHYKJKSRQPC-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1coc(B(O)O)c1	2247735949	QMKGDEBEMXZOBY-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CCC1	2247736052	RVYWVOADHNESRD-HRDYMLBCSA-N	239.080	-0.180	50	10	BBGE	
O=C(N1C[C@H]2OCC[C@@H]2C1)C1(B(O)O)CCC1	2247753592	BAPCVPSXUBJBGC-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1(C)CC1	2247760818	ODJWBWAOYXUEPM-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2247805467	KIAOJOCEIQILMF-LOKLDPHHSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@H]1CNC2	2247806409	MWWHOGOFNUGRKM-XKNYDFJKSA-N	238.096	-0.798	50	10	BBGE	
COC[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247807686	ROSRACZWYJLKSE-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
CCN1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247809283	OQCLJHKNCLVKAB-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1CNC(=O)C#CB(O)O	2247850000	IPCRUBWIZVPRTC-DBIOUOCHSA-N	235.092	-0.200	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](CO)C1CCCCC1	2247852082	OQGDKJBTHHTKAC-JTQLQIEISA-N	239.080	-0.941	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2CC[C@@H](C1)N2	2247859559	NVJIHDKHCAXFMF-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC1(C)C	2247869181	NFLLZZRLQCFKGU-SECBINFHSA-N	236.080	-0.767	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)cn1C	2247874871	QHTDDPAZUWUEJT-WRWORJQWSA-N	236.080	-0.767	50	10	BBGE	
O=C(N1C[C@@H]2CCN[C@H]2C1)C1(B(O)O)CCC1	2247878101	HRJLVDCXYFKXRP-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CC(C)CCN(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2247898987	JBRRSLDPVLEREC-VHSXEESVSA-N	243.112	-0.284	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@H](CCF)C1	2247899785	QBQTTZQHJMKQDL-IWSPIJDZSA-N	245.059	-0.564	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@@H](O)[C@H]1C2	2247906656	ZLDQMYNVKGRMBA-LENJLYNKSA-N	239.080	-0.779	50	10	BBGE	
CC#CC(=O)N1CCc2c(B(O)O)cccc21	2248407968	NYQOQGJOYCTFDN-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
O=C(NCc1cc(B(O)O)ccc1F)C(F)F	2248415229	WZRGPAYVOCJYSS-UHFFFAOYSA-N	246.981	-0.613	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)OC[C@@H]1C	2248492937	CWJXCGXKPIUWGR-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
NC[C@]12C[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250691018	GJVXWOFNLWTYPT-SCZZXKLOSA-N	238.096	-0.809	50	10	BBGE	
C#CC1CCN(C(=O)c2coc(B(O)O)c2)CC1	2255453356	GRQPDHZVSCDSPW-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
CN1CCN(C(=O)C#CB(O)O)c2ccccc21	2255467891	SQKKPVSLRYZGPK-UHFFFAOYSA-N	244.059	-0.515	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1cncc(B(O)O)c1	2255523524	SNWGBUHABDIADW-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1n[nH]cc1B(O)O	2255549844	YMMKCNUAUKYYLE-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
CN(Cc1cnn(C2CC2)c1)C(=O)C#CB(O)O	2255670653	HGJXBQFBUROJTL-UHFFFAOYSA-N	247.063	-0.808	50	10	BBGE	
C=C1CCN(C(=O)c2ncc(C)cc2B(O)O)C1	2255790065	RIQIDZAPCHPQCW-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1cc(OCC23CC(CO2)C3)ncc1B(O)O	2260700930	KVXVZPWJGCZYBL-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165553	JLMPFCMVPYVKGW-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CN	2298369128	KHGKZTIMHMKHML-JLIMGVALSA-N	240.112	-0.707	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O)[C@H]1C[C@H]1B(O)O	2298369387	SJMDQJHFLPVMBY-JFFSLAIJSA-N	239.080	-0.875	50	10	BBGE	
C[C@@H]1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	2300373459	RNPHNJNLVCLHIH-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1cc(B(O)O)c[nH]1	2301282157	XTSHJWDHLLGDGE-RNFRBKRXSA-N	236.080	-0.531	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2OC[C@@H]3CCO[C@H]32)C1	2303103930	GNQNZUBWWOASIF-ZRUFSTJUSA-N	241.096	-0.661	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CNC[C@@H]1C2	2312614847	MQLKFCUKJZHVSA-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3cocc3B(O)O)[C@@H]1C2	2313081931	UJUGFXYGXZYSCB-XRNSZHNASA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1ccc(B(O)O)cc1C#N	2317206726	PWMLOGYDBRUIJL-DTWKUNHWSA-N	248.091	-0.400	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1CCN1	2317349694	HOGORHZKSVXJFP-UFBFGSQYSA-N	249.075	-0.692	50	10	BBGE	
CC(=O)N1CCN(C(=O)NC(=O)CCl)CC1	36904884	HCPBFMXXKZVGGJ-UHFFFAOYSA-N	247.682	-0.375	50	10	BBGE	
O=C(CN1CC[C@@H](O)C1)NNc1ccccn1	61708226	BWFNRZGUGRJJCH-SECBINFHSA-N	236.275	-0.409	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@H]1CCC(=O)N1	70681398	LNEZGYFJTIYQFU-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2cnnc2C1	81544460	FJNMRUYPEXWIRL-VIFPVBQESA-N	238.295	-0.892	50	10	BBGE	
C[C@@H](O)CN(C)[C@H](C)CCC(=O)NN	82468184	ADUCQSGBJUJKHR-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCS(=O)CC1	82469751	SJZCOFRCPAEFQO-MRVPVSSYSA-N	233.337	-0.791	50	10	BBGE	
Cn1nnnc1SCCCCC(=O)NN	82471826	XVEYDWSXUKXDNY-UHFFFAOYSA-N	230.297	-0.538	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1CO	86313594	YZACHMYUWCMMHK-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCC[C@@H]2C1	86933487	ISSVBHZVKWENRX-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@@](O)(C#N)c1ncc2c(=O)[nH]ccn12	106365931	SMOVKFSTFQRABR-SECBINFHSA-N	204.189	-0.246	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N2CCCCC2)C1	110919632	SXWWWODSKRKDRF-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CCS1	123820386	CBJWSEVUQFFTHB-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
NNC(=O)CCN1CCOc2ccccc2C1=O	128568963	NUWGRSQJPPDQIQ-UHFFFAOYSA-N	249.270	-0.099	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CCO)C1	159979169	WLYIHCVOKFCMEL-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCOC1	170766679	PLKVEKFWDVOPSZ-BYPYZUCNSA-N	226.154	-0.267	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)NCc1ccco1	208223027	ZERWXVDCDHTWEF-ZCFIWIBFSA-N	226.236	-0.543	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCN(C)CC1	211935496	QQZTZISPGDTZFD-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)[C@H]1CCCCCS1(=O)=O	214735038	ZTUYGRYIBKYJRZ-ZCFIWIBFSA-N	206.267	-0.666	50	10	BBGE	
Cn1ccnc1CCOc1cncc(B(O)O)c1	228701322	IZZMHHMWDORVMG-UHFFFAOYSA-N	247.063	-0.884	50	10	BBGE	
COC[C@H](OC1C[C@H](C)O[C@@H](C)C1)C(=O)NN	232418660	DTZGHSAVZUCMBB-NRPADANISA-N	246.307	-0.036	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(N(C)C)CC1	232419211	AEKYQJUNHTZECV-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](Sc1cnn(C)c1)C(=O)NN	232421610	UPHINADLINJGFB-ZETCQYMHSA-N	230.293	-0.483	50	10	BBGE	
CC[C@@H](N)CS[C@H](COC)C(=O)NN	232421719	RLJRUEYXXCXDEH-RNFRBKRXSA-N	221.326	-0.538	50	10	BBGE	
CN(CC(N)=O)c1nnc(CCCl)o1	234263924	PQSPGJZYNQITBV-UHFFFAOYSA-N	218.644	-0.228	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCCN1	234300275	XSPDSAVHLABSEZ-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
NNC(=O)c1cccc(CSCCO)n1	236183422	LQTOWGBQDPRLIX-UHFFFAOYSA-N	227.289	-0.089	50	10	BBGE	
Cc1ccc2c(=O)[nH]c(C(=O)NN)nc2c1	238512164	BGEYARHTCHGWJQ-UHFFFAOYSA-N	218.216	-0.165	50	10	BBGE	
NC1(c2ccc3c(c2B(O)O)OCO3)CC1	258198787	OETJAOMYBMVWFW-UHFFFAOYSA-N	221.021	-0.957	50	10	BBGE	
CN1CC[C@H]([C@H](N)CC(=O)NN(C)C)C1	259146454	UJADUGYJFWBIDY-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
CC(C)(C)OC(=O)c1ccc(B(O)O)cn1	299889176	FNTMGMNYXAKGPS-UHFFFAOYSA-N	223.037	-0.283	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@](O)(CO)C1	306301858	IRBOYYJHKOVLQU-JGVFFNPUSA-N	204.657	-0.454	50	10	BBGE	
CN(CCBr)C(CO)CO	307333674	QOSVQZDYGAKCQH-UHFFFAOYSA-N	212.087	-0.334	50	10	BBGE	
CCN1CCN(C[C@@H](O)CCl)S1(=O)=O	308588489	NIKBOLGMOSSQAH-ZETCQYMHSA-N	242.728	-0.532	50	10	BBGE	
CC(C)N1Cc2c(B(O)O)cccc2C1=O	309157729	UOOQETJAOXVCCS-UHFFFAOYSA-N	219.049	-0.269	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	309288064	PJPKQTMWMBZGPA-NXEZZACHSA-N	228.340	-0.363	50	10	BBGE	
CO[C@H](C)CN(C)Cc1ccc(B(O)O)cc1	310196981	GDMFTWNSJDQTSD-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
CN(CCOCCCl)C(CO)CO	379359424	YLUXDXYGPOBZQS-UHFFFAOYSA-N	211.689	-0.473	50	10	BBGE	
N#CCN(CC#N)Cc1ncccc1C(=O)NN	380764212	QKZFYXHVXUQBIZ-UHFFFAOYSA-N	244.258	-0.466	50	10	BBGE	
OB(O)c1cccc(CN2CCN3CC[C@H]2C3)c1	381686997	LAMMOFCAXLIWGU-ZDUSSCGKSA-N	246.119	-0.744	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	381870221	LDQHDKPZECLNQR-AATLWQCWSA-N	209.293	-0.046	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CCCCC(=O)NN	385634407	IZJJTVYCNSCVHF-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1O	388616436	MZBDPCLIVMWANT-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
N#CCCc1cc(B(O)O)cc(C(=O)O)c1	396132843	MFRFSTVWVDKCAO-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCOC[C@H]1C	398928140	NYGSNVQDJUPUAI-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C(F)(F)CSCCO	685957980	NEERKGMDSSUIFP-UHFFFAOYSA-N	200.210	-0.663	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]1(C)CCOC1	687518993	CEHIRYDAJBGSKB-SNVBAGLBSA-N	215.297	-0.275	50	10	BBGE	
Cc1nn(COCC2CC2)c(C)c1B(O)O	694275459	IJNFAVIVBONOHS-UHFFFAOYSA-N	224.069	-0.436	50	10	BBGE	
C[C@H]1CCCN(CCC(=O)NN)[C@H]1CCO	697205289	AJBKGTYZDACCNK-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CN1CCOC[C@H]1CNS(=O)(=O)CCl	700172123	YKBPUVZLXXNKOZ-SSDOTTSWSA-N	242.728	-0.567	50	10	BBGE	
CCC1(O)CCN([C@@H](COC)C(=O)NN)CC1	707246520	DGOASKYZTJVLTE-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718166196	JHKDAVFRHZFZTJ-AXFHLTTASA-N	241.335	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCSC1	718253295	FBKYCFHUTUUAJO-RKDXNWHRSA-N	247.364	-0.324	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)Nc2ccc(B(O)O)cc2)C1	718527612	PVJJMZGNFKTJOK-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
NCc1cn(C2CN(C(=O)CCCl)C2)nn1	722380549	VVKCUWHKWNDYKU-UHFFFAOYSA-N	243.698	-0.251	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nn(C)cc1C	723523067	AYAIMJPLDOPXOD-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C=CS[N]1	725711757	UQXFAIDSEAZANZ-SECBINFHSA-N	249.080	-0.547	50	10	BBGE	
C[C@@H](Br)COC(=O)C(O)O	757207534	DVJRDQDVZAKDLO-GSVOUGTGSA-N	213.027	-0.376	50	10	BBGE	
Cn1nncc1NNC(=O)[C@]1(C)CCCO1	816771313	HVKBDVZQZKFEGS-VIFPVBQESA-N	225.252	-0.173	50	10	BBGE	
CN(NC(=O)[C@@]1(O)CCOC1)c1ccccn1	862747236	ONBIKULGRBCFKL-LLVKDONJSA-N	237.259	-0.300	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)C1CS(=O)(=O)C1	864888547	CIGWOCWALGWDAI-UHFFFAOYSA-N	248.304	-0.776	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NC(C)C	900416217	CTHOKASRZXWZGX-IQXGSHKSSA-N	215.253	-0.338	50	10	BBGE	
COCC(=O)NN=C(C)[C@@H]1COCCO1	1116279827	NJVNSTGORWKWOU-QMMMGPOBSA-N	216.237	-0.460	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)c1ncon1	1289418103	OHFVDZCWPOEWJB-RXMQYKEDSA-N	228.208	-0.744	50	10	BBGE	
CN(NC(=O)[C@H]1Cc2cccnc2C1)C(N)=O	1346497554	MBTAAYBEHFAIJW-QMMMGPOBSA-N	234.259	-0.162	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1ccnnc1	1451679328	BAMVICIJFZMHLJ-UHFFFAOYSA-N	233.231	-0.069	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2nc(CO)[nH]c2c1	1587582173	RPHQYKMXCHRLOZ-UHFFFAOYSA-N	248.242	-0.164	50	10	BBGE	
NC[C@H](CO)C(=O)NC[C@H]1C[C@@H]1Cl	1883552539	NFQVLRZTOYQNMF-QYNIQEEDSA-N	206.673	-0.703	50	10	BBGE	
C[C@@H](C#N)C(=O)NN(C)S(C)(=O)=O	1888553725	BKNPZCGQXOOEJO-YFKPBYRVSA-N	205.239	-0.931	50	10	BBGE	
CN(NC(=O)CC#N)S(=O)(=O)C1CC1	1888571690	LHFTZLWOAFZKAS-UHFFFAOYSA-N	217.250	-0.645	50	10	BBGE	
C[C@](F)(C(=O)NCB(O)O)C(F)(F)F	1888949810	VVDBJBCVAXUBTH-BYPYZUCNSA-N	216.927	-0.595	50	10	BBGE	
C[C@@]1(C(=O)NCC=CB(O)O)C[C@H]1F	1892918645	BJOJWKXBXHSYOR-HTRCEHHLSA-N	201.006	-0.581	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)C=CC(=O)Cl	1893410405	JEENLJYCVJWBEP-RXMQYKEDSA-N	218.640	-0.441	50	10	BBGE	
O=C(N[C@]1(CO)CCOC1)[C@H]1C[C@@H]1Cl	1893446644	POAJSXPODMBBJI-ZKWXMUAHSA-N	219.668	-0.119	50	10	BBGE	
CS[C@H]1CC[C@@H]1N(C)C(=O)C(=O)NN	1893803786	JLHJDYMAFXDFOB-WDSKDSINSA-N	217.294	-0.671	50	10	BBGE	
C[C@]1(O)CCN(C[C@H](Cl)C#N)C[C@H]1O	1894992860	TURDENJJOGZHLO-HLTSFMKQSA-N	218.684	-0.065	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](Cn2ccnn2)O1	1896928568	JWUQKFSPSXZCKM-YUMQZZPRSA-N	225.252	-0.794	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@H]1CO	1901765898	WTGLTBQUVIXNNN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250001	NQEGZNYZSMTXSZ-ILAIQSSSSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC=C[C@@H]2CO)C1	1908358943	SHLRIELJBKOYJN-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3C[C@H]4C[C@H]4C3)(C1)C2	1911213446	LPOLNONVJJIMSR-VSKBNFNDSA-N	237.303	-0.523	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)CCO	1917043267	OJYPNSIECUPELO-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
COCCNS(=O)(=O)N1CC=C(C#N)CC1	1917083199	ZGGZDLZDEJZQDZ-UHFFFAOYSA-N	245.304	-0.377	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C(F)(F)F	1923427703	UAWZTWIPURTEJM-SCSAIBSYSA-N	200.160	-0.108	50	10	BBGE	
CCC[C@@H]1CCN1[C@@H](COC)C(=O)NN	1927992108	MMNHZKKHTHQKRY-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@](C)(CO)SCCOCC(=O)NN	1928180839	GNMLSBPAFZHLMK-SECBINFHSA-N	236.337	-0.113	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN(C2CC2)C1=O	1928188884	AIBRIRYHACIESR-SSDOTTSWSA-N	212.253	-0.687	50	10	BBGE	
COCC[C@@H]1CN(C(=O)NN)CCO1	1929426740	QDMISRVSYXHICB-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
O=C(NNCCO)c1cc(O)cc(O)c1	1929835981	AULCXCWHOMYBIQ-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
O=C(O)[C@H](Cl)CN1C[C@H]2OCCO[C@@H]2C1	1930268418	XVQJOXKAVRJQHE-BWZBUEFSSA-N	235.667	-0.222	50	10	BBGE	
COCC1(OC)CCN(C(=O)NN)CC1	1931667755	XJLMZHGTJBEMIU-UHFFFAOYSA-N	217.269	-0.303	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CCNC2=O)C1=O	1931726164	QEIPOERPUDYFDC-MUWHJKNJSA-N	216.668	-0.038	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC12CCCC2	1933035395	MKLIFIGWBYZOIG-ZETCQYMHSA-N	211.265	-0.327	50	10	BBGE	
NNC(=O)C(F)(F)CN(CCO)CC(F)F	1935931092	KQTRFYZGDWVNJT-UHFFFAOYSA-N	247.192	-0.829	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1936092618	VYVCAKPXSHWALK-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CCO1	1936093094	AREYNLKQYHUSRZ-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
C[C@@]1(CN2CC(=O)OC(=O)C2)COCCO1	1936463219	LOTKHVBYGWZPHB-SNVBAGLBSA-N	229.232	-0.823	50	10	BBGE	
CN1CC(=NNC(N)=O)CC12CCOCC2	1939796132	OEPMNTZODCPPDT-UHFFFAOYSA-N	226.280	-0.105	50	10	BBGE	
C[C@@H]1C(=O)N(CC(F)(F)C(=O)NN)C(=O)[C@H]1C	1940896709	WGXHNLHJADAEGF-WHFBIAKZSA-N	249.217	-0.747	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COCC[C@H]21	1941371564	CBCQPZXCTGNQQF-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCn1ccnc1	1944474477	ALQPRWCBEHYTJP-UWVGGRQHSA-N	239.323	-0.171	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@@H]3C2)CC1	1945884652	UUAOZKAXHWFXBZ-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
O=C(CCl)[C@@H]1Cn2cnnc2CN1	1954339939	FSIQBDHKMRNZPD-YFKPBYRVSA-N	200.629	-0.442	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)C[C@@H](O)C1	1954547871	PSMAOUOWJOWBSU-OLQVQODUSA-N	209.629	-0.253	50	10	BBGE	
O=C(CCl)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1954933022	QRALEMDTTCUWDY-IEBFDSJVSA-N	219.668	-0.528	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@H]1C(=O)O	1957258275	YXSFAARKTZHFRJ-RQJHMYQMSA-N	217.656	-0.524	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@H]1CO	1960268909	KLITXZFMNQPLNP-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)ccc2F)C1	1963750442	VTHCYRLQSNELPJ-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
CC1(C)[C@@H]2[C@H](CCN2CC(=O)NN)[C@H]1O	1975090257	ZIYHTINQQHNAHN-CNUIFLNQSA-N	213.281	-0.933	50	10	BBGE	
CN(C)C1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1976833376	PBYZPFRJAJUYDQ-BDAKNGLRSA-N	226.324	-0.752	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1979546871	BTYMUXJZUYPMRJ-IUCAKERBSA-N	233.287	-0.737	50	10	BBGE	
CN(C[C@H]1C[C@H]2CC[C@H]1O2)C(=O)C(=O)NN	1980047160	UXTHRDKZXQFBEA-BWZBUEFSSA-N	227.264	-0.998	50	10	BBGE	
CCNC(=O)[C@H]1CNCCN1C[C@H](Cl)C#N	1982214137	QHDZEQFLPSJRNG-RKDXNWHRSA-N	244.726	-0.473	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CC(F)C1	1984101940	PSHQZSCBUXWHRP-UHFFFAOYSA-N	225.028	-0.724	50	10	BBGE	
C[C@@H](CO)CN(C)CCC(F)(F)C(=O)NN	1984127890	GHDGABFNTBIAQR-SSDOTTSWSA-N	239.266	-0.438	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](C)[C@H]1C	1990774799	NKISYAZLQJJXAR-HTQZYQBOSA-N	229.280	-0.737	50	10	BBGE	
C#CCNC(=O)CCNC(=O)/C=C/C(=O)Cl	1991713950	ZIPBIAVONVAARF-ONEGZZNKSA-N	242.662	-0.436	50	10	BBGE	
Cc1c(F)cccc1CNC(=O)C(=O)NN	1993933911	RWTINXHFPQZDGK-UHFFFAOYSA-N	225.223	-0.260	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994019715	IXMQAMSATPSMMR-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1ncc(B(O)O)cn1	1996645835	OUHYTSAIIQFRRV-WKEGUHRASA-N	235.052	-0.859	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]2[C@@H]2C[C@H]32)CC1	1997189207	SVNSUJMKKKPZFN-KZVJFYERSA-N	235.287	-0.377	50	10	BBGE	
CN(C[C@H]1CC2(CCC2)CO1)C(=O)C(=O)NN	2001650193	YVUQQJGXHHRBJF-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
CCn1ncnc1CN(C)C[C@H](C)C(=O)NN	2002658334	QJTULURFRVUZLZ-QMMMGPOBSA-N	240.311	-0.644	50	10	BBGE	
CN(Cc1ccco1)c1ncc(B(O)O)cn1	2004912354	RULJFVVXHUQGJM-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C[C@H]1F	2004915701	BYTSGQUGKVEMHT-VXNVDRBHSA-N	239.059	-0.659	50	10	BBGE	
OB(O)c1ccc(N2CC(OC(F)F)C2)nc1	2004916820	QHPYFVRTWBDTGK-UHFFFAOYSA-N	244.006	-0.811	50	10	BBGE	
CC1(CF)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2008691374	DYDKBOHVVVSPIJ-IUCAKERBSA-N	245.298	-0.185	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H](C2)O3)n1	2021435403	IAHXMDUFGIQSJT-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@@H]2C[C@H]21	2051853169	FUELUKOATGVOTL-CHWSQXEVSA-N	247.103	-0.352	50	10	BBGE	
CCOc1c(B(O)O)cnn1CC1CC1	2059947447	FQCZDOTWFOKODO-UHFFFAOYSA-N	210.042	-0.628	50	10	BBGE	
Cc1cc(C#N)c(B(O)O)cc1[N+](=O)[O-]	2060305701	QSHQSZVCKPMTNK-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
COC[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	2069652270	ZHSRZDDNHNVHOD-LDYMZIIASA-N	249.075	-0.413	50	10	BBGE	
Cc1cc(OCc2ncn(C)n2)ccc1B(O)O	2077056069	PNENSGSWAFLCAL-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(CCl)NC(=O)N1CC2(CCC(=O)N2)C1	2212053863	QBXZZGOECYLHIR-UHFFFAOYSA-N	245.666	-0.574	50	10	BBGE	
OB(O)c1cnc(=NCc2ccsc2)[nH]c1	2212604985	VTFUFUXTIWBNHX-UHFFFAOYSA-N	235.077	-0.748	50	10	BBGE	
OB(O)c1cccnc1Nc1cccnc1	2212610485	JOXHHFIABAWGND-UHFFFAOYSA-N	215.021	-0.100	50	10	BBGE	
OB(O)c1cccnc1NC1CC(CF)C1	2212610759	OMVBYIVEHIUZTM-UHFFFAOYSA-N	224.044	-0.079	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2213351716	DGPQGHBQQZOTTI-SVDPJWKOSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2213355498	LNSZVDXFMRRYQS-KLBPJQLPSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCCC[C@@H]1CO	2215775373	GOFIXKCMCSRZQJ-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@@H](C2)C3)c1F	2217181743	UNGSRRUPCCOADT-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@H]2O)cc1B(O)O	2217182028	YDYXTCLAIJQLKY-WCBMZHEXSA-N	236.080	-0.747	50	10	BBGE	
N[C@@H](CCOc1ncccc1B(O)O)C1CC1	2217183527	IYCMDCGMWYPXTM-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
C=CC[C@H](CN)COc1ncccc1B(O)O	2217184124	MWXYVNCRDBXHCM-SECBINFHSA-N	236.080	-0.709	50	10	BBGE	
C[C@@H](CN)C[C@@H](C)Oc1cc(B(O)O)ccn1	2217189418	CXWLWOSGLTUEKK-RKDXNWHRSA-N	238.096	-0.486	50	10	BBGE	
NC[C@H]1CC[C@H](Oc2ccc(B(O)O)cn2)C1	2217191217	RJQJIHUKHGXWOG-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cnco1	2217197413	MESZFUVKNARACV-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COCC2(F)F)c1	2217198881	HOYFPPSHEYXFEE-SSDOTTSWSA-N	244.006	-0.793	50	10	BBGE	
Cc1c(Nc2ncccc2B(O)O)cnn1C	2217199211	AYBUOMWSOGNZTH-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Nc1ncccc1B(O)O	2217199758	OXISLRXWMKKLHA-VHSXEESVSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CNCC2(CC2)C1	2223637669	RDYKKDJUZCNXSG-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N[C@@]2(C3CC3)CCOC2)c1	2223637703	RQNXTUPZVNTLHG-LBPRGKRZSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@H]2COCC[C@@H]21	2223639275	QKWRWHVKWXONOC-BBBLOLIVSA-N	248.091	-0.544	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCOC[C@H]32)cc1B(O)O	2223641888	DVFMPJSMMTUOAO-KBVBSXBZSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNCC12CCC2	2223650617	OPXUSMRWVRRWTF-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN3CCC[C@H]23)c1	2223669283	ICCIKTHLWYFOLA-WDEREUQCSA-N	247.107	-0.590	50	10	BBGE	
CC1(C)CCC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223669823	OXVHYRNXMVJHGM-SECBINFHSA-N	249.123	-0.184	50	10	BBGE	
Cc1ocnc1CCNc1cc(B(O)O)ccn1	2223671064	HAJFNJYPCYTLNQ-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCC[C@@H]1NCC2	2223671423	LTGUHUNPGUGCPH-JQWIXIFHSA-N	247.107	-0.542	50	10	BBGE	
NNC(=O)CN1CCC2(CCS2)CC1	2241820563	YZFMPURPVDAZHG-UHFFFAOYSA-N	215.322	-0.052	50	10	BBGE	
COC[C@@H](OCC1(OC)CCC1)C(=O)NN	2243148211	WQCNFFXABVGZAL-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ncsc1B(O)O	2243359647	VPHBZVPODLBIEU-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)o2)CCC1	2243362452	RCLNICQLAVJTER-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
O=C(NCc1cnco1)C1(B(O)O)CCC1	2243363346	FJSRXBDQGYBMOG-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
O=C(NC1(CCCO)CC1)C1(B(O)O)CC1	2243363746	LJNIPNBCZNEXDL-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
CN1CC(CCNC(=O)C2(B(O)O)CC2)C1	2243364601	ZOUCYBWVTZSRBV-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
CC(C)OCCN(C)C(=O)C1(B(O)O)CC1	2243365716	QTTHCUWRKZHDSN-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
COCC[S@](C)(=O)=NC(=O)[C@H]1C[C@H]1B(O)O	2243392621	VOMKXSJQXLLIQQ-RAPPMSLKSA-N	249.097	-0.880	50	10	BBGE	
CC[C@@H](CO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397043	UVBLIKLWQCDSHT-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2243398909	VCOXJZCBULNBDA-LURJTMIESA-N	225.057	-0.992	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC2)c1	2243409695	NAQXMDCRPGAVJD-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)C1(B(O)O)CCC1	2243410736	GYJNHWYYYJTWGY-JGVFFNPUSA-N	227.069	-0.587	50	10	BBGE	
O=C(N[C@@H](CO)CC1CC1)C1(B(O)O)CC1	2243411181	PLUOSGLGZNPHNL-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
CCCCN(C)C(=O)c1cc(B(O)O)sn1	2243415553	XNTLSNUUEXOMJN-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CC(C)(C)CS(=O)(=O)NCCC#CB(O)O	2244536315	KKBKXQQFZPVDKY-UHFFFAOYSA-N	247.125	-0.643	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)C[C@@H](C)O	2244882707	AIDCAIQMBXJMQT-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)cs2)C1	2245435048	HKKGBAAUNXHBDT-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
CO[C@H]1CCCCC[C@@H]1NC(=O)C#CB(O)O	2247746891	FVLNGJJRBDJOSW-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
CCC[C@@]1(NC(=O)C#CB(O)O)CCCNC1	2247747808	SLZZYZCHIIFYJZ-LLVKDONJSA-N	238.096	-0.960	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)ccc1OC	2247751847	DCTZDJSUYDHIAF-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
O=C(N1CC[C@@H]2[C@H](CO)[C@H]2C1)C1(B(O)O)CC1	2247753518	AEGQFFPJAZOKOU-CIUDSAMLSA-N	239.080	-0.920	50	10	BBGE	
C=CCONC(=O)c1ccc(B(O)O)cc1F	2247755291	CSDKPTCPLJTUPH-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2(B(O)O)CC2)CC1	2247755783	JWLNUIVPICHUGB-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NC(C)C	2247789266	SNWYXNGJCZKDES-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cc(B(O)O)cs1	2247796280	WUZSGFIMWSHPJT-SECBINFHSA-N	249.100	-0.334	50	10	BBGE	
O=C(NC1CC2(CCNC2)C1)[C@H]1C[C@@H]1B(O)O	2247798239	RMWLXHQIQRKFFP-QMFGVRBNSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247805775	CMGZEIGZONTBEO-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
C[C@@]1(CNC(=O)C2CC(B(O)O)C2)CCCN1	2247806816	GLFHCWWJPKOAQG-AMUVOQDHSA-N	240.112	-0.502	50	10	BBGE	
N[C@@]12CC[C@@H](CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C1)C2	2247807635	IQMNFTPDXDHUGX-SDNRWEOFSA-N	238.096	-0.811	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CCOCC1	2247807930	SHXJPIOYSXSGJV-UJNFCWOMSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)[C@@H]1C[C@@H]1B(O)O	2247809863	RTHWQQORZAKWPR-LOLPMWEVSA-N	238.096	-0.894	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)C1CC(B(O)O)C1	2247809870	RVLCNDHFSNECNS-AMUVOQDHSA-N	242.128	-0.271	50	10	BBGE	
C#C[C@@H](NC(=O)C#CB(O)O)C1CCCCC1	2247851256	XKBYAMOJXIOKBC-LLVKDONJSA-N	233.076	-0.300	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C(=O)C2(B(O)O)CCC2)C1	2247877884	FWYBPBBVXOALEV-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1CC(B(O)O)C1	2247910282	OFRBKBIIQPJZCZ-ANQZYXBKSA-N	239.080	-0.467	50	10	BBGE	
CCCCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248593281	LKWULKQWUJXLAD-YUMQZZPRSA-N	243.068	-0.437	50	10	BBGE	
C[C@H]1C(CNC(=O)c2cocc2B(O)O)[C@@H]1C	2249406899	JGGJAAJHGQPQEB-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2cc(B(O)O)co2)C1(F)F	2249417449	GMLWNDDUJZDWOF-FFWSUHOLSA-N	244.990	-0.657	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1cocc1B(O)O	2249430915	QMHKANAORSGAQO-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
O=C(N1CCc2nc[nH]c2C1)C1(B(O)O)CCC1	2255452500	JYBHACRIGHMCJU-UHFFFAOYSA-N	249.079	-0.309	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2255679951	WHIXCBGYIGOSEZ-MAUMQABQSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2255680828	UCJJVHLHVIXIIS-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1ncc(B(O)O)cn1	2255773766	FRJBJTNYOYHZMC-QMMMGPOBSA-N	249.079	-0.759	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]1C2	2298369078	IGFOUSBIEQQFLH-FHNUBNKASA-N	239.080	-0.779	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@]2(CO)CC[C@H]1C2	2299777362	ZQSPGLDMUFTGHZ-WYOJIJJFSA-N	239.080	-0.777	50	10	BBGE	
CC[C@@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2301421624	WUSNUVPTTZBRPX-VIFPVBQESA-N	237.064	-0.638	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](O)[C@H](F)C1	2302021332	YNCUVGSQMMWJRP-BBBLOLIVSA-N	247.314	-0.060	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COCC1[C@@H]2COC[C@@H]12	2302580639	UICAQDWXYXOIDR-HZQMYPQZSA-N	240.303	-0.089	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)N1CC[C@@H](B(O)O)C1	2303105428	PDJKFSLDSAKPOE-KOLCDFICSA-N	240.112	-0.454	50	10	BBGE	
C[C@]1(C(=O)O)C[C@H]1C(=O)N1CC[C@H](B(O)O)C1	2303114925	PAFNSZBQKJLZGC-BYULHYEWSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCCNC2)ncc1F	2303834566	IMHKYFXLWRJZTC-SSDOTTSWSA-N	239.059	-0.936	50	10	BBGE	
CC(C)C1CN(c2cc(B(O)O)c(F)cn2)C1	2303836190	IYTLKFOOBKDNLG-UHFFFAOYSA-N	238.071	-0.007	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@@H]1O	2317151478	RFJMRGPJFMEMHX-NEPJUHHUSA-N	246.075	-0.437	50	10	BBGE	
CCC1(O)CN(c2ccc(B(O)O)cc2C#N)C1	2317168896	ZUYDZLVEGKSDMX-UHFFFAOYSA-N	246.075	-0.801	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H](CN)C1CC1	2317211905	OYJRIJJYFRXAQQ-LBPRGKRZSA-N	246.075	-0.646	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308212	IHVHFELBIHDJQN-RYUDHWBXSA-N	249.075	-0.232	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cccnc1	35692703	LHVXVCLWKVAGIN-ZCFIWIBFSA-N	208.221	-0.751	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1CO	49751982	FQFNQGQQCAGFTF-VIFPVBQESA-N	229.280	-1.000	50	10	BBGE	
N=C(N)c1cccc(-n2ccnc2C(=O)NN)c1	75848659	ROBZGGLDKCROCY-UHFFFAOYSA-N	244.258	-0.240	50	10	BBGE	
CCCCN(CCO)[C@@H](CC)C(=O)NN	82469730	YMJUTPQLNLGCHK-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC1(C)C	82470277	BNTHVFGCSUQGMV-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CN(CCCC(=O)NN)C1CCNCC1	82470936	PZBFMOJAQUZGAW-UHFFFAOYSA-N	214.313	-0.560	50	10	BBGE	
O=C=N[C@H]1COCCN1S(=O)(=O)CC1CC1	83877902	CIMOWKKJKKHMDM-SECBINFHSA-N	246.288	-0.280	50	10	BBGE	
C[C@@H](Sc1nncn1C)[C@H](C)C(=O)NN	86313910	ARVCADPTTHHYHB-NTSWFWBYSA-N	229.309	-0.078	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=S)cc1O	86722996	UAWJPNVOSVFXKY-UHFFFAOYSA-N	241.272	-0.121	50	10	BBGE	
Nc1ncn(C[C@H](O)CCl)c2ncnc1-2	105629081	MKDLZKZXXZULAW-RXMQYKEDSA-N	227.655	-0.040	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](C)CO	125436192	CTOYWZSAAGGPON-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CC(C)(CCl)C(=O)N1CCOC[C@@H]1C(N)=O	129327875	LBVAZZARGPRAKJ-SSDOTTSWSA-N	248.710	-0.036	50	10	BBGE	
Cn1nnnc1SC[C@@H](Cl)C(=O)O	132961614	ZGSHGYVDKWRYJP-GSVOUGTGSA-N	222.657	-0.006	50	10	BBGE	
Cn1nc(C(=O)O)nc1NC(=O)CCl	138338581	SAVJRZOWTNRUOZ-UHFFFAOYSA-N	218.600	-0.309	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(OCC(=O)O)C1	168820828	UJEYRBLSJRVOEL-UHFFFAOYSA-N	231.252	-0.652	50	10	BBGE	
CCN(CCO)C(=O)C(=O)NCCCCl	170359191	QSDIUEOZOSUCJZ-UHFFFAOYSA-N	236.699	-0.428	50	10	BBGE	
COC(=O)N1CCCCC[C@H]1C(=O)NN	215366142	KRRORHSJRAAZTG-ZETCQYMHSA-N	215.253	-0.013	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCCCO	227147295	PZLLSAOQUMLTCU-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cccc1C#N	232421164	XEZSISYXAQMYGW-QMMMGPOBSA-N	208.221	-0.463	50	10	BBGE	
CO[C@H]1CN(C[C@@H](O)CCl)C[C@H]1OC	234805629	WIPFZWXRUWAYEE-XHNCKOQMSA-N	223.700	-0.068	50	10	BBGE	
OB(O)c1ccc(-c2cncnc2)cc1	238646304	ULNROOMDGPXRQB-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251222983	NJWXCFXCEBNLEM-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(O)CCCC[C@H]2C1	251545206	KVWMOXBAXHIEMX-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)CC[C@H]1O	253200800	UHPCRHYHKWWFRZ-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(N2CC(=O)OC(=O)C2)nn1C	301006703	ZEFUESCBXWUGES-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
O=C(CCl)NC(=O)N1CCN2CC[C@H]1C2	306914084	QKQATOMWBCVEFM-ZETCQYMHSA-N	231.683	-0.149	50	10	BBGE	
CCC[C@H](C)NNC(=O)[C@H]1COCCN1	309839191	NPHZQXWMOJWBCW-DTWKUNHWSA-N	215.297	-0.216	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(CCCCC(=O)NN)C1	310104252	CKBNYUDHIWXFFZ-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
Nc1ccc(OC(F)(F)F)c(B(O)O)c1F	322258361	MLGPORGJHKVSNN-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C[C@@]1(O)/C(=N\NC(N)=O)CC[C@H]1C(=O)O	379702165	JRIYTNCQDUWDTE-OJPBYFKHSA-N	215.209	-0.744	50	10	BBGE	
N#Cc1cc2scc(B(O)O)c2cc1CO	396213675	DBQJJSYHKPXNIP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CN(CCCCCC(=O)NN)CC[S@@](C)=O	399946412	WYYBUNGDEZGOHH-MRXNPFEDSA-N	249.380	-0.153	50	10	BBGE	
COCCOC(=O)Nc1cccc(B(O)O)c1	404991517	CILJHHGVFZCIJN-UHFFFAOYSA-N	239.036	-0.439	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)N(C)C	405155759	WIVLYKMWRSRIQE-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)CO	585025223	OYAUMDBPIOGZIA-UWVGGRQHSA-N	237.108	-0.527	50	10	BBGE	
CO[C@@H]1NC[C@H](Br)N=C1NN	605704150	JIONHRRPTIBURW-WUJLRWPWSA-N	223.074	-0.855	50	10	BBGE	
OB(O)c1ncc(-c2ccncc2)cn1	642880701	LOHKCEGKTCRVOG-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
C[C@H]1CCCN(C[C@@H](C)C(=O)NN)[C@@H]1CO	688737975	OIGFUUGQIMKUOQ-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCO)CC(C)(C)C	689974301	SBURKPLJTSYJPU-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCO)C(C)(C)C	689987142	GGSKRAMBYQBMDL-QMMMGPOBSA-N	233.312	-0.916	50	10	BBGE	
COC[C@@]1(C(=O)NN(C)C)CCCN1	692194815	LVNIOJZOOPNYOS-SECBINFHSA-N	201.270	-0.652	50	10	BBGE	
OB(O)c1cnn(Cc2cncc(F)c2)c1	694532803	WZDUUJJZFHFHMS-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
OB(O)c1cnn(CCC[C@H]2CCOC2)c1	694535699	OREDQNXKNLMKLF-VIFPVBQESA-N	224.069	-0.620	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCNC(=O)[C@@H]1C	695104086	OGMNWDICYIJFST-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](CO)[C@@H](CO)C1	704720255	UMPWJAOEBDZACS-HRDYMLBCSA-N	218.684	-0.350	50	10	BBGE	
N#CC1(O)CCN(c2ncc(N)cn2)CC1	709326961	UXEZYXLAFRRDAU-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](C(N)=O)C1	710092651	GDQSKIJKJZLCLC-DTWKUNHWSA-N	242.323	-0.802	50	10	BBGE	
COC(=O)N1CCc2cc(B(O)O)ccc21	712147218	SPXJMKKAWYLLAJ-UHFFFAOYSA-N	221.021	-0.505	50	10	BBGE	
C[C@H]1C[C@H]1COc1cncc(B(O)O)c1	722897662	QWMKCAYOAWHFAH-YUMQZZPRSA-N	207.038	-0.204	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@H]2C1	724821243	GQLIBXLZYZTRAH-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
N[C@H](C(=O)NNc1ncccn1)C(F)(F)F	826726211	IJVOAHMTFCKQFK-SCSAIBSYSA-N	235.169	-0.191	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	829557773	QAEKVXGMOWRFFJ-RKDXNWHRSA-N	242.275	-0.405	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)[C@H]1CCCO1	848127682	ODFWLJNTDFXPAQ-LDYMZIIASA-N	244.291	-0.279	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN=Cc2cnnn2C)O1	863167333	RJYBKUUSGXWOFT-VXNVDRBHSA-N	237.263	-0.167	50	10	BBGE	
C=C(C)C[C@H](CO)NCc1ccc(B(O)O)cc1	895712615	AWDQBUKJVFJDFC-CYBMUJFWSA-N	249.119	-0.217	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)C[C@@H](C)O	910138732	LJDJTZNXHZBYRO-SNVBAGLBSA-N	229.324	-0.162	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)Cc1ccc(C#N)nc1	910184054	QAGRWHYFCMKMSA-VIFPVBQESA-N	248.286	-0.160	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)COC1CC1	910184712	RUXCELYFALJJRL-SSDOTTSWSA-N	202.254	-0.491	50	10	BBGE	
CN(NC(=O)c1cc(C=O)cn1C)C(N)=O	1295202151	WAFHOGNWJVVNDU-UHFFFAOYSA-N	224.220	-0.507	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)CCO)[C@H]1C	1326446995	RWGWJFQPYKMCLJ-BQBZGAKWSA-N	200.238	-0.104	50	10	BBGE	
CS(=O)(=O)CCC1CC(=O)OC(=O)C1	1536184567	YVVFHFMUHCOTBU-UHFFFAOYSA-N	220.246	-0.099	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)c2ncon2)C1	1539050966	MOHQNYZRGIBQMM-RITPCOANSA-N	240.219	-0.744	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)Cc1nc[nH]n1	1623332688	LBZDWOQVOPTCIU-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
CCNC(=O)NNC(=O)c1c[nH]c(C)cc1=O	1631193530	DFXKBPRTDGRFLU-UHFFFAOYSA-N	238.247	-0.353	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@H]1N=C=S	1878153863	VEESMZINOCUNDF-PHDIDXHHSA-N	207.276	-0.099	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NC[C@H]1C[C@H]1Cl	1883550912	HJJSCWQMXSSOAS-WNJXEPBRSA-N	206.673	-0.562	50	10	BBGE	
Cn1nnnc1CCNC(=O)CCCl	1884747283	APARTUYKVGHTCR-UHFFFAOYSA-N	217.660	-0.502	50	10	BBGE	
CN(NC(=O)CCCCl)S(C)(=O)=O	1888562642	YMJAJKOJXRSXLR-UHFFFAOYSA-N	228.701	-0.072	50	10	BBGE	
C[C@@H](CO[C@H]1C=CCOC1)C(=O)NN	1888697824	FKALTFHJKMPNNH-YUMQZZPRSA-N	200.238	-0.416	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1895229889	YZVPFYIQYDIAEJ-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2OC	1895667721	MEMSLBOIRPJRKL-QCLAVDOMSA-N	227.308	-0.136	50	10	BBGE	
COCCOCCN1CC[C@](C)(B(O)O)C1	1902516740	DSDYTEZBBRXFIC-JTQLQIEISA-N	231.101	-0.412	50	10	BBGE	
Cc1ncnc(O[C@@H]2C=CCC2)c1B(O)O	1905353823	PLIQMBFZIFWSHJ-MRVPVSSYSA-N	220.037	-0.438	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1908896908	BUIHDKVRCGBBOM-DCAQKATOSA-N	240.351	-0.078	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1C(F)(F)F	1916176935	RKAKQUJUJFFHSE-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@@H](C)CCC(=O)NN	1916200919	WVVSDGLZGDFIDC-JGVFFNPUSA-N	230.312	-0.789	50	10	BBGE	
COC(=O)[C@H](O)CN1CC=C(C#N)CC1	1917110210	RMHIRSLLIQFANF-SECBINFHSA-N	210.233	-0.324	50	10	BBGE	
CC[C@]1(F)CCN([C@@H](COC)C(=O)NN)C1	1925549936	ALXWFOUAHBABQS-WPRPVWTQSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)CC2(CC2)C1	1926433356	KFTGPHOQAWOLLV-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
Cn1ncnc1SC[C@H]1C[C@@H]1C(=O)NN	1927916363	DOWGUQJZTYMZKQ-RITPCOANSA-N	227.293	-0.467	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCCC[C@@H]2C1=O	1928024661	PWDKSPTWPGZZTN-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H](CN(C)CC(F)(F)CO)C(=O)NN	1931081016	UHOODIBNKLDPQZ-LURJTMIESA-N	225.239	-0.828	50	10	BBGE	
CS(=O)(=O)C[C@@H]1CCCN1C(=O)NN	1931356712	CKUPCOYDIABQAJ-LURJTMIESA-N	221.282	-0.921	50	10	BBGE	
CN1CCC(CC(=O)NNC(N)=O)CC1	1931360911	WFHWQUQYBWJBSJ-UHFFFAOYSA-N	214.269	-0.582	50	10	BBGE	
N#C[C@H](Cl)CN1CC(OCCO)C1	1932101815	CYODRRYPZFKBJV-ZETCQYMHSA-N	204.657	-0.190	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CCO)C1	1932108197	MCSQDILZKMADMJ-VIFPVBQESA-N	215.297	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@]2(CO)C1	1937053915	OFTFWMNPNPLJAF-WYOJIJJFSA-N	227.308	-0.685	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	1939031249	HFBDVMUHMXFPKM-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)CCCC(=O)NN	1940292231	UJJWFPGOUGMNRY-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COCC1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941089412	VOYHQNZABKIRJH-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(CCO)CC1	1941090163	NLYNQMXUPRULIK-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@H]1C1CC1	1941121482	IPXXQWKJIKBACT-QMMMGPOBSA-N	249.261	-0.278	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1COCCCO1	1948401841	ZKTDGYJZBVUDIF-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
N#CC1(O)C[C@H]2CS(=O)(=O)C[C@@H]2C1	1954523296	CQIIHCHONOSLPN-BQBZGAKWSA-N	201.247	-0.304	50	10	BBGE	
CCN(C)C1CN(CCC(=O)NN)C1	1956722584	VXSPHTNJSHMZIR-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H](CCO)C1	1956984250	XNNZNCDRSZAWDC-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC2(CCC2)CO1	1957616628	MVVACCFQDBEPLC-ZETCQYMHSA-N	213.042	-0.926	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)[C@H]1C[C@H]1C	1958268511	BEMJYDDMSIMASI-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
Cn1nnc(C(=O)N2CC=C[C@@H](Cl)C2)n1	1960191926	TWRNUNORLFTHLV-ZCFIWIBFSA-N	227.655	-0.171	50	10	BBGE	
CC(C)[C@@H](SCCOCCN)C(=O)NN	1961086129	HDSLTCBOMRORAT-MRVPVSSYSA-N	235.353	-0.291	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCC(=O)NN)CCN1C	1980815520	BVGACVWNYGJHPL-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@H]3C2)nc1	1981413127	BOZBRKFVNILPQI-YUMQZZPRSA-N	219.053	-0.997	50	10	BBGE	
Cn1ncnc1Sc1ncccc1B(O)O	1981455333	ZDMZRPBKLPHOME-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CCO[C@H]3C2)n1	1981469546	UUCVAAAMGFKXSL-BQBZGAKWSA-N	240.093	-0.952	50	10	BBGE	
CN(CCOC1CC1)c1nc(B(O)O)cs1	1981471244	HLYSINHZRTYGJD-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)[C@H]1C	1981472675	SPIOUXLGDZAVSN-BQBZGAKWSA-N	224.044	-0.255	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CCC12CCC2	1982212789	XJZFQDWUJJSHCH-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1F	1982679542	SEODVASOGSOCML-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
Cn1nnc(CN)c1C(=O)NC1CC(Cl)C1	1983213686	NRDOEPBZCBGRHO-UHFFFAOYSA-N	243.698	-0.227	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2COCC[C@H]21	1989937657	ZYNFOJBVTXSPRF-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1990040759	IYKUKJWJJKCDSZ-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCO[C@@H](C)C1	1990774106	DXZHWVLZNKVTBI-QMMMGPOBSA-N	229.280	-0.736	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](c2nncs2)C1	1991149917	KSHNETSGHWQBRL-BQBZGAKWSA-N	241.320	-0.294	50	10	BBGE	
O=C(NCC1(C(=O)O)CC(O)C1)[C@@H]1C[C@@H]1Cl	1991683017	PFGCSSPPQGBKSF-PTBZLCQFSA-N	247.678	-0.044	50	10	BBGE	
C=C(CN(C)Cc1nccn1CC)B(O)O	1992146518	UURNJDBCVFPPBJ-UHFFFAOYSA-N	223.085	-0.097	50	10	BBGE	
C=C(CN1CC(C)(CCN(C)C)C1)B(O)O	1992152170	APJIAMNSRWPIMM-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)C(=O)NN	1994075417	XMCMKJNBTRCBGA-SSDOTTSWSA-N	222.248	-0.881	50	10	BBGE	
Cc1ccc(C(=O)N[C@H](CB(O)O)C(=O)O)o1	1998134867	IEEALWJGHSFZPD-ZCFIWIBFSA-N	241.008	-0.756	50	10	BBGE	
CN(CCCC1CC1)c1ncc(B(O)O)cn1	2004912862	YXOYEVZQTOPXCC-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CCC1CC(N(C)c2ncncc2B(O)O)C1	2004916740	PENICJWXOOKJNX-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(OCCOC2CC2)ncc1B(O)O	2004934360	QMHYVTKSIFPAMZ-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
C[C@H]1CCOCCN1c1ncccc1B(O)O	2004936396	YSDUMMBXQXBTIV-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012639081	GMBYIBHJKUZEFZ-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCN(C)C(=O)C1)C(=O)NN	2014834605	RMTBGOAOGOBEIF-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H]2COC[C@H]21	2017525967	XPEKAADVJXWLIP-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCN(C)CCC1	2019214111	XGTBXGMTBMZRER-UHFFFAOYSA-N	242.323	-0.819	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020057317	STGZWNHFGXEESZ-NXEZZACHSA-N	238.096	-0.702	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC[C@H]2C[C@H]1CO2	2020068015	NICPKEZXOWFUSP-GUBZILKMSA-N	239.080	-0.514	50	10	BBGE	
C[C@H](CN(C)C)OCc1ccc(B(O)O)cc1	2022708171	DYACFTOVILULOS-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@H]2CCC[C@H]21	2052487739	PIWBWFDDTKPSCM-NEPJUHHUSA-N	248.091	-0.481	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)cc1[N+](=O)[O-]	2060209482	IFNPLRTXWRJKLY-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
C[C@H](C(=O)N[C@H]1CCC=C1B(O)O)n1cccn1	2076076454	NYAGBVORHNFAGS-SCZZXKLOSA-N	249.079	-0.339	50	10	BBGE	
COc1cccc(NC(=O)NCC#CB(O)O)c1	2077442371	ZIBLROBPKLQENZ-UHFFFAOYSA-N	248.047	-0.168	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	2086992301	YQEZORQMKPMUPI-CDDJKKQXSA-N	249.050	-0.066	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N([C@H](C)CC(=O)NN)C1	2211251860	XFXHLYXBKPYSIU-KYXWUPHJSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CCO)C(C)(C)C1	2212234546	WNWVQNFXNSIHRJ-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
Cn1cc(Oc2ccc(B(O)O)cn2)cn1	2212600784	FXUIQUTWGXRMGC-UHFFFAOYSA-N	219.009	-0.713	50	10	BBGE	
CC1(Nc2ncc(B(O)O)cn2)CC=CC1	2212602778	JSKPEFJEIHECIF-UHFFFAOYSA-N	219.053	-0.323	50	10	BBGE	
CN[C@H](C)CNc1cc(B(O)O)c(C)cn1	2212603192	DDYNUHLHCOLEID-MRVPVSSYSA-N	223.085	-0.910	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@@H]32)cc1B(O)O	2212606271	RGPBALQMOBNRRT-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CC2(F)F)c1F	2212609201	OCJLMTIRZZIRGH-YFKPBYRVSA-N	232.954	-0.313	50	10	BBGE	
OB(O)c1cccnc1NCc1cnoc1	2212610459	JALBZRGBPFTMOB-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@@H]1CO	2215770865	DZPRMSJRQBUYHS-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@@H]32)CCOCC1	2216873618	YQTMYPWUFIVIEH-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@]1(C)CCOC1	2217173235	PJUJCOLAUGHBEC-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2C[C@@H]2F)cc1B(O)O	2217183841	LDZBOWKQDKNASS-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
CO[C@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2217184699	RAJBVARDVXVXNX-IUCAKERBSA-N	237.068	-0.864	50	10	BBGE	
C[C@@]1(COc2cc(B(O)O)ccn2)CCNC1	2217188890	VHJISDOLZSEXBC-LLVKDONJSA-N	236.080	-0.860	50	10	BBGE	
CC1(C)CC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217197758	QLYHOJZBELUBOS-MRVPVSSYSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1cccnc1NCCCNC1CC1	2217203888	BMWLNSCMMHYRFF-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H]3CC[C@H]2O3)nc1	2223625702	FKPHYKUODJPWKL-GARJFASQSA-N	248.091	-0.117	50	10	BBGE	
CC1(C)CC[C@@H](CNc2cc(B(O)O)ccn2)N1	2223627862	OEGNWPKHUKSFQP-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
Nc1ccc(COc2cc(B(O)O)ccn2)cc1	2223667821	VHATXHYUEJVFFS-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
CC[C@@]1(CNc2ncccc2B(O)O)CCCN1	2223674060	NFGWNODJEBNBPJ-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
NC1(CNc2cc(B(O)O)ccn2)CCCCC1	2223674338	KFEKRKBDOJJOQR-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
CCn1cncc1CNc1ccc(B(O)O)cn1	2223675038	PBTWSPOLTHYSBQ-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
CO[C@@]1(CSCC(=O)NN)CCOC1	2241673977	KYSXRJAVBKDLPY-QMMMGPOBSA-N	220.294	-0.485	50	10	BBGE	
O=C(NC/C=C/CCl)C1CS(=O)(=O)C1	2242030637	WIJMZTLIOLLBKD-OWOJBTEDSA-N	237.708	-0.058	50	10	BBGE	
CC(C)[C@@H](OC1(C)COC1)C(=O)NN	2242121492	BSEOWISMQRMAHQ-SSDOTTSWSA-N	202.254	-0.194	50	10	BBGE	
CC1CC(NC(=O)c2ccoc2B(O)O)C1	2243348927	CDPNWYYSVMALPL-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H](F)C1	2243361765	GVJAXGZDEQPSPE-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243391744	NVDUMLXJYGSZFK-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397096	VMHAQAJLSRXDQQ-IWSPIJDZSA-N	229.085	-0.267	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCC1	2243397518	CSCDLYNVPLHLBS-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@]2(C)C[C@H]12	2243399426	LXZZEIWPPMXZFU-FXPVBKGRSA-N	221.065	-0.351	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)sn1	2243414400	AAOWWRHMOTUOEP-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC(CO)CC1	2243415266	QZETYHGHQOJTFS-IUCAKERBSA-N	227.069	-0.920	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2243426819	MIWHRDKMMSZQSI-YIZRAAEISA-N	227.069	-0.921	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2CC[C@H]2C1=O)C(=O)NN	2243496021	CCAPTYHGXVAMSR-FSDSQADBSA-N	225.248	-0.993	50	10	BBGE	
Cn1c(O)cn(CCCCCC(=O)NN)c1=O	2247186827	IDMIXVMKIBOUKV-UHFFFAOYSA-N	242.279	-0.557	50	10	BBGE	
O=C(Nc1ncccn1)c1coc(B(O)O)c1	2247721916	IUJZIDBKSQBFAM-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@H]1C	2247738223	ONDAWRWJTSCKAW-SSDOTTSWSA-N	237.064	-0.108	50	10	BBGE	
CCN(OC)C(=O)c1nc(C)ccc1B(O)O	2247753555	ARAXNKAQCIWKJN-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(B(O)O)CC1)C2	2247756243	MYIRMEGRAQMYPJ-YIZRAAEISA-N	238.096	-0.668	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(B(O)O)c1C	2247761065	QKJUSFUPAJDBGC-QMMMGPOBSA-N	231.060	-0.574	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2247765434	YZARBXTXYZRGNP-QMMMGPOBSA-N	236.080	-0.601	50	10	BBGE	
CCN(CCCN(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2247799424	CXHDXHKRHSKJQW-UWVGGRQHSA-N	242.128	-0.351	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)N1C	2247801202	YHZPXAAFAJSWAQ-DOLQZWNJSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247807435	IBTMRZNKGHFRSW-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2247854991	LWELWMBAFQTGAQ-SSDOTTSWSA-N	241.052	-0.843	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2247855366	RGFNPQDTCSJQCQ-GENCIFFESA-N	239.080	-0.779	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)C1CC(B(O)O)C1	2247860270	UOBVHTGPLVKTRW-AMDVSUOASA-N	243.112	-0.237	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCC[C@H]1O	2247860692	ZWMGPZDBCYSDJZ-QCLAVDOMSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(B(O)O)cn1	2247869012	KFOAZWYDTMUQOP-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)c(C)c1	2247873709	FJIUYOJHRCRFHX-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(NC1CC([C@@H](F)CO)C1)C1(B(O)O)CC1	2247873822	MMVDLFHDSLQTJV-RRQHEKLDSA-N	245.059	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCO2)c1	2247873974	IHJGICDEZKXKKE-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
O=C(N1C[C@H]2CO[C@@H](C2)C1)C1(B(O)O)CCC1	2247877342	GPIUKWNFMAPPHO-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)C1(B(O)O)CCC1	2247878138	LTLJTELKXMPQNB-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1occc1B(O)O	2247878375	NYKCWIYCCNKECH-NKWVEPMBSA-N	241.027	-0.468	50	10	BBGE	
COC[C@@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2247892124	USJJHIWNPXBHCM-UDNWOFFPSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCc1ccccc1O)[C@H]1C[C@@H]1B(O)O	2247895986	CYCKMENWUTVRDW-IUCAKERBSA-N	235.048	-0.129	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCNCCC12CC2	2247898542	FKKLIJLJUOMCDN-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC(F)C1	2247969557	COTFBVQKXZZXOI-UHFFFAOYSA-N	238.027	-0.448	50	10	BBGE	
CCN(CCCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248590832	IPYGBKBDQOHXQJ-YUMQZZPRSA-N	243.068	-0.437	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2250597982	BLLYFWYSAHJKSV-HGNGGELXSA-N	241.096	-0.389	50	10	BBGE	
OB(O)c1ccc(NC23COCC(C2)C3)nc1	2250895245	ROZZKWODCKKJHM-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C=C[C@@H](C)CCN(C)c1ncc(B(O)O)cn1	2251040207	IVPLPTYWHWZUEG-SECBINFHSA-N	235.096	-0.195	50	10	BBGE	
C#CCCCCCNC(=O)c1ccc(B(O)O)o1	2255461155	CVDZDWORFFWFQK-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(B(O)O)o1	2255463330	HPMUZDGEXIWEAU-ARLZRJTCSA-N	247.059	-0.656	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ncc(B(O)O)cn2)C1	2255471450	SVBTVJUODLQHRU-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1C(=O)C1(B(O)O)CC1	2255492307	JIBJEAYSPZAWPI-ZETCQYMHSA-N	249.079	-0.170	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)cn1C(C)C	2255500669	LSASDLNUWFYCJG-VIFPVBQESA-N	248.091	-0.500	50	10	BBGE	
Cc1ccnc(C(=O)N(C)[C@@H]2C[C@@H]2C)c1B(O)O	2255575198	MUTRSHIQBCDLSA-DTWKUNHWSA-N	248.091	-0.450	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cccc(F)c1B(O)O	2255686964	ZTZLIZXEIIKXBB-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
C#CCCN(C)C(=O)c1cccc(B(O)O)c1C	2255721361	XTFNHAYRZQWENF-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1ccnc(NC(=O)c2coc(B(O)O)c2)n1	2255728356	FERGEGNTGUWMBE-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC(C#N)C2)c1	2255733703	PJPKKHGJEKCGQY-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
COc1ccc(C(=O)N2CC(C)C2)cc1B(O)O	2255748057	WECRKTRDOXTILY-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2255956875	IIKNYTZEUIAENM-SNVBAGLBSA-N	249.075	-0.400	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1C[C@H]2C[C@@H]2C1	2258125059	LMUMAKJTWUWRKH-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
C=CC1CN(C(=O)c2cccc(C)c2B(O)O)C1	2261385771	KIUMCEGUZMKYIO-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
CC(NCCCN(C)C)=C(C#N)C(N)=O	2297310575	GLABUMKWRLMDDY-UHFFFAOYSA-N	210.281	-0.189	50	10	BBGE	
C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375409	ISIMQQVHJLZRCQ-WCABBAIRSA-N	241.096	-0.530	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC=C[C@@H]1CO	2300365592	ACWABJZBVGXBIF-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Cn1cc(B(O)O)cn1)CO2	2300543326	HIBFIEFBBPNARM-KKZNHRDASA-N	236.080	-0.622	50	10	BBGE	
NC/C=C/COc1ccc(C=O)c(B(O)O)c1	2301453617	ZHMCCKQVYQEODJ-OWOJBTEDSA-N	235.048	-0.927	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2302031008	DBCJNHXFBQSKBJ-CIUDSAMLSA-N	243.112	-0.239	50	10	BBGE	
C[C@H]1CC2CC(CNC(=O)C#CB(O)O)(C2)O1	2303095528	VDTFBPZOGNMEEN-SILCLGDVSA-N	237.064	-0.924	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)c(F)cn1)C1CC1	2303835639	ZTHRZGLMNRAKCW-JTQLQIEISA-N	234.039	-0.276	50	10	BBGE	
C=C1COC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303847105	CRGJPKQCSQCXFU-SECBINFHSA-N	238.027	-0.733	50	10	BBGE	
CC(C)(F)CCN=c1cc(B(O)O)c(F)c[nH]1	2303848373	YJTZVFQYYMZAIL-UHFFFAOYSA-N	244.050	-0.128	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(B(O)O)c1	2309544025	NWNOHTIRPNNKGK-XNDJQWLSSA-N	244.103	-0.086	50	10	BBGE	
O=Cc1ccc(NC[C@H](O)C2CC2)cc1B(O)O	2317351833	ORDAHNJCPXTWKI-LBPRGKRZSA-N	249.075	-0.638	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN(CCO)CCO	2324510270	IULYMRMUUGRUBJ-UHFFFAOYSA-N	241.291	-0.795	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1ccnn1C	478325	FLOAXDQZPGYILW-UHFFFAOYSA-N	248.246	-0.772	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1nonc1N	20899755	VTPILCXQAQVLFW-UHFFFAOYSA-N	213.197	-0.931	50	10	BBGE	
NC(=O)C[C@H](NC(=O)CCCl)C(=O)O	82257485	UCCHWNARYQFUET-BYPYZUCNSA-N	222.628	-0.940	50	10	BBGE	
CN(CC(=O)NN)Cc1cccc(C#N)c1	82469297	JIUPYCDAGFGIBI-UHFFFAOYSA-N	218.260	-0.020	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)C1CC1	82470837	WGZNZYBRCUDAFL-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
COCCSC[C@H]1CC[C@H](C(=O)NN)O1	82472390	GPKQMMXMKDBDIS-HTQZYQBOSA-N	234.321	-0.097	50	10	BBGE	
CN(CC(N)=O)C(=O)CBr	82506347	LXLUIQUSZBXJKK-UHFFFAOYSA-N	209.043	-0.675	50	10	BBGE	
O=S1CCN(S(=O)(=O)CCl)CC1	82513113	KABWWGFLDPNJOP-UHFFFAOYSA-N	231.726	-0.423	50	10	BBGE	
CN1CC(=O)N(CCBr)CC1=O	86933625	PLNALDZJDANQFX-UHFFFAOYSA-N	235.081	-0.318	50	10	BBGE	
O=C1C[C@@H]2ON3CCOC[C@@H]3[C@H]2C(=O)O1	106575844	VMDSTUDXZZWJIZ-GKROBHDKSA-N	213.189	-0.909	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)CCC2=O)c1	110579187	CIAMEMJMXNHISJ-UHFFFAOYSA-N	237.215	-0.468	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@H]1COC[C@@H]1C(=O)O	149060074	GWEJJCNORSQJNV-YUMQZZPRSA-N	245.279	-0.406	50	10	BBGE	
CN(CCCC(=O)NN)CC1(O)CCOCC1	162491591	NRFIOXRMZULJBF-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
O=C=NCNC(=O)N[C@H]1CCc2cn[nH]c2C1	170294194	ZZGHEDGZJMUVAF-QMMMGPOBSA-N	235.247	-0.141	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H](CO)CC(=O)O	170312635	OFTGQXASAZVRBT-RITPCOANSA-N	223.656	-0.187	50	10	BBGE	
O=C(CCl)NCCN1C[C@@H](C(=O)O)CC1=O	170313774	TVUMMTYNVMMFLR-LURJTMIESA-N	248.666	-0.726	50	10	BBGE	
CC/C(=C(/C#N)C(N)=O)N1CCOCC1	199153689	SBMOTJIVTLNBFL-CMDGGOBGSA-N	209.249	-0.008	50	10	BBGE	
OB(O)c1cncc(OCCc2ccncc2)c1	203524683	UITBTGPHFRNYAP-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
C[C@H](C[S@](C)=O)NS(=O)(=O)CCCl	232301409	VZENUENYWWWTLR-INWYIAFRSA-N	247.769	-0.088	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC[C@H]2CCOC2)O1	251591855	ZKBJCHPAMBYCKP-AEJSXWLSSA-N	244.291	-0.423	50	10	BBGE	
Cn1cc(CN[C@@H]2COC[C@@H]2Cl)nn1	306503569	WLPVUCGJVSCYCK-JGVFFNPUSA-N	216.672	-0.089	50	10	BBGE	
C[C@@H]1CSCCN(C(=O)C(=O)NN)C1	307483579	HNDFYXPXQHOBSD-LURJTMIESA-N	217.294	-0.812	50	10	BBGE	
COC(=O)NN/C(C)=C1\SC(N)=NC1=O	309098276	DOPZCIFTQYRSSN-ARJAWSKDSA-N	230.249	-0.333	50	10	BBGE	
CC(C)[C@](C)(NC(=O)NC(=O)CCl)C(N)=O	380869431	IPTVESXGHHHYHS-VIFPVBQESA-N	249.698	-0.049	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1cc(C(=O)NN)co1	385008445	NQYAMCDNDAPXJM-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
COC(=O)/C(C#N)=C(N)\C(C#N)=C\N(C)C	390481673	LPYOVWCPQVXFTG-BLHCBFLLSA-N	220.232	-0.135	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cccc(CO)c1B(O)O	396039439	JQDQXCULRAESPW-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)C[S@@](C)=O	399928510	XATAOYXUHZTISX-RXKWCEQPSA-N	249.380	-0.300	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)[C@H](C)C(=O)NN	399980995	OBKWZSLLSJSQBP-CZQYDQBASA-N	221.326	-0.936	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CCOC1	404943106	MKZODJZHFVXIHB-MRVPVSSYSA-N	235.048	-0.659	50	10	BBGE	
C[C@]1(C(=O)Nc2ccccc2B(O)O)CCOC1	687416057	MTKWXTGLRGIKQO-LBPRGKRZSA-N	249.075	-0.269	50	10	BBGE	
C[C@@H]1CCCN(CC(=O)NN)[C@H]1CO	688740754	WWFJJIRNVHDCQM-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
COC[C@H]1CCCN1[C@@H](C)C(=O)NN	696548771	LUJLUGWDNCBRID-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CC(=O)NCCN1C(=O)NC(=O)CCl	707193699	HUEZPHAEDBZERA-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCn1cccn1	707202720	BKBGKGCZIKYSIU-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)C[C@H]1C	707347721	UOXKGEQUDRUGEI-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H]2CN)CC1	715083134	AOTKYJKCKCCWAY-IUCAKERBSA-N	223.276	-0.542	50	10	BBGE	
COc1ccc(OCC[C@@H]2CO2)c(B(O)O)c1	718545610	YOIMUBKHZAWJPO-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721714270	GHJRTUYWYWEPCK-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1=NCC=C1	725690944	KUAGLBFFRJHDMM-UHFFFAOYSA-N	230.032	-0.684	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)CN1CCCC1=O	755885129	CYEQEJNTPICVLP-VIFPVBQESA-N	241.291	-0.007	50	10	BBGE	
C[C@@H](CCN)C(=O)N1CCC(O)(C#N)CC1	821980332	CIBGOPQGKIEEMP-VIFPVBQESA-N	225.292	-0.152	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)c1cnc[nH]1	853315800	XPUMBDUXDULXGO-VIFPVBQESA-N	238.247	-0.335	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)c1cnn(C)n1	888082232	WNOJQSXMNVOGNZ-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)NC2CC2)C1	900382549	FLZRGZKFSPVJJB-XPUUQOCRSA-N	227.264	-0.096	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccccc1OC	1084593452	DPRVHJJERCIJRI-UHFFFAOYSA-N	235.243	-0.109	50	10	BBGE	
OB(O)c1cscc1CN1CC(F)C1	1231946392	PXAKAQMXRQHROT-UHFFFAOYSA-N	215.058	-0.418	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1nsnc1O	1642192605	JKZRBCQDJIYCBK-SCSAIBSYSA-N	232.265	-0.799	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1Cl)C(CO)CO	1883633842	CSVCVILEEKFJQC-NKWVEPMBSA-N	207.657	-0.575	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H]1CCS1(=O)=O	1884830147	ZXNOLFWBUMKQDX-RQJHMYQMSA-N	235.692	-0.470	50	10	BBGE	
C[C@@H](CCCC(=O)NN)OC1COC1	1889170565	QQDMOWLUNNBMQV-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](C)S1(=O)=O	1894146114	SNAJXZUYZDZQMJ-HTQZYQBOSA-N	249.336	-0.431	50	10	BBGE	
CC[C@H](O[C@H]1CCN(C)C1)C(=O)NN	1894991851	MFUPNWHQQQRSCO-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@@H]2C1=O)C(=O)NN	1895064777	SJCIUZZZEZYGMH-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C[C@@H](C)C(=O)NN	1896027155	YPYWUXZCTAPBKD-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@H](F)C1	1900260613	SLEZELABBQMCII-DJLDLDEBSA-N	231.271	-0.717	50	10	BBGE	
C[C@H]1C[C@H](C)C1Oc1ncncc1B(O)O	1901084327	OXOWSFPLPMJWJF-BQBZGAKWSA-N	222.053	-0.420	50	10	BBGE	
C#CCCNc1ccc(C=O)c(B(O)O)c1	1901243342	VQWUDGZNQVUCBQ-UHFFFAOYSA-N	217.033	-0.386	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CCCO2)C1	1902521416	GYWVKYZQMGNGQK-PSASIEDQSA-N	227.069	-0.369	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)CC1COC1	1909750344	QJIIKQIZIORYOV-ZETCQYMHSA-N	235.667	-0.081	50	10	BBGE	
O=C(NNCCO)C1CC2(CCCO2)C1	1912585475	CZXAOFCHZUFZCL-UHFFFAOYSA-N	214.265	-0.441	50	10	BBGE	
CCN(C[C@H](Cl)C(=O)O)S(C)(=O)=O	1913842987	FSPHUWPXFQMZLZ-YFKPBYRVSA-N	229.685	-0.040	50	10	BBGE	
CCN(CCCO)C[C@H]1C[C@@H]1C(=O)NN	1927913707	MDIOVDJHVCYLBS-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(O)CC1	1927914020	PUXLFMDFFOXEQH-APPZFPTMSA-N	213.281	-0.931	50	10	BBGE	
CC(C)(CN1C[C@H](F)[C@H](O)C1)C(=O)NN	1929911199	SSQUVOSOUOIYLA-NKWVEPMBSA-N	219.260	-0.983	50	10	BBGE	
CC(C)(C)OC(=O)N(N)CC(=O)NC(N)=O	1930118377	NZOUGZOBBFIACB-UHFFFAOYSA-N	232.240	-0.708	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@@H](C)C(=O)NN	1936357731	OUUYPXQYSALTNB-RXMQYKEDSA-N	227.224	-0.274	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)C[C@H]1CO	1938236647	LUELJLOMEFGAKB-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
O=C(Cn1cncn1)NC[C@@H]1COC[C@H]1Cl	1939165593	CBXDTTGVDQAKCK-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
CC[C@@]1(N)CCCN(CC(=O)NNC(C)=O)C1	1940605662	KYXBATGJUNFXGM-LLVKDONJSA-N	242.323	-0.643	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCOCC(=O)NN)CCO1	1941772178	FNFXNECSBWTXDZ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
O=C(O)C1(c2ccccc2B(O)O)CC1	1951330254	PZSISBIOVHTKHI-UHFFFAOYSA-N	206.006	-0.517	50	10	BBGE	
C[C@H](Br)C(=O)CN1CC(N)C1	1953310986	RPMMUEOJIQLTIY-YFKPBYRVSA-N	221.098	-0.018	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H]2C[C@]2(O)C1	1954019943	WIFPHBWGVWKVLU-RQJHMYQMSA-N	225.697	-0.031	50	10	BBGE	
NNC(=O)N1CCC[C@@]12CC[S@](=O)C2	1955271994	XFSHCMXELJUAIG-RTHLEPHNSA-N	217.294	-0.443	50	10	BBGE	
CNC(=O)[C@H]1CCN(C[C@H](O)CCl)C1	1956251790	JOPXIBYZAOOOJR-JGVFFNPUSA-N	220.700	-0.346	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C[C@H](O)CCl)C1	1956252924	WFSRMARGJGOXTR-RNFRBKRXSA-N	221.688	-0.671	50	10	BBGE	
CC[C@H](COC)N(C)C[C@@H](C)C(=O)NN	1957482499	NDFUCDBMBNOQRH-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1COCCC1(F)F	1960917484	AIUUZOQYGGJIEH-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
C[C@H](Oc1ncc(B(O)O)cn1)C1CC1	1961687549	MTUWJBACOFGEMM-LURJTMIESA-N	208.026	-0.666	50	10	BBGE	
CN(CC(F)F)c1ccncc1B(O)O	1961695544	FTOZOCBMTHLQJS-UHFFFAOYSA-N	215.996	-0.537	50	10	BBGE	
COC[C@H](C)Oc1ccncc1B(O)O	1961712865	PEUNCERVDIWLRH-ZETCQYMHSA-N	211.026	-0.825	50	10	BBGE	
CN(CC(=O)NN)CC1(C)CCOCC1	1962433683	HNKWRZKEMMNLMQ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)N1CC[C@H](B(O)O)C1	1967588477	TXDHCLMOBUYBPX-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]2C3)nc1	1981408553	BVQBCGGPADDSKG-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
COCCCSc1nc(C)ncc1B(O)O	1981465555	NXWHUPXQGQCZAQ-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
CC1(C)OCCO[C@@H]1COCCC(=O)NN	1987315053	JHYIWAJXWSRAJQ-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
C=CC1(O)CN(CCC(F)(F)C(=O)NN)C1	1990556324	VNEVJKSNVIISFN-UHFFFAOYSA-N	235.234	-0.766	50	10	BBGE	
CN1CCOC[C@@H]1CNC(=O)/C=C/C(=O)Cl	1991705959	KPAPLUYONXIPHP-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
OB(O)c1cncnc1Sc1ccnnc1	1992766500	NJIAWIBNPIGIMX-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
C[C@@]1(CNC(=O)C=CC(=O)Cl)CCNC1=O	1993218523	STNBADPXKZRQNI-JTQLQIEISA-N	244.678	-0.050	50	10	BBGE	
Cc1ccnn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1994698506	LXSSDZADTLQEFX-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(CC2(C(=O)NN)CC2)C1	1997257365	RYPSDSXJPFXYHA-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1CCn2ncc(O)c2C1)C(=O)NN	2002894617	YKPRMJXHDJYJKJ-SSDOTTSWSA-N	239.279	-0.970	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]([C@H]2CCCO2)C1	2004392650	FCPSOVUQUOENMV-RKDXNWHRSA-N	241.291	-0.606	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](C3CC3)C2)nc1	2004912352	RUDUDVLKINBKFG-SECBINFHSA-N	233.080	-0.607	50	10	BBGE	
CC(C)(C)C1CN(c2ncc(B(O)O)cn2)C1	2004917493	CLCIHSRKMCNXQL-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
CC[C@H](COC)N(C)c1ncccc1B(O)O	2004930805	WRUQBFRXVFACGZ-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
CC1(C)C[C@H](Oc2ncncc2B(O)O)CO1	2004934467	FMJYQINNRAABMH-ZETCQYMHSA-N	238.052	-0.897	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1ccoc1C(=O)NN	2011155812	ORHMGUWHWLSSAI-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCC(=O)N(C)C1	2014819755	BCINGCIYQLAHIX-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CCC[C@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	2022543406	GQTZGQUHJQSDLJ-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
COC[C@@H](C)COc1ncc(B(O)O)c(C)n1	2026078679	GNCDWCJCRHGFCH-SSDOTTSWSA-N	240.068	-0.874	50	10	BBGE	
CCn1cnnc1COc1cccc(B(O)O)c1	2036121337	NBWIMEMOOOSKQM-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ncc(B(O)O)c(C)n1)C2	2052560262	VKVPVKDVHWXWBA-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
Cc1cc(N(C)Cc2cnco2)ncc1B(O)O	2052623021	DDPOAJDQRMHBAS-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)ccc1B(O)O	2053735450	LPPBJZATVOBBHQ-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@H]1C2	2058154130	CODCBQNZRLLNRD-DCAQKATOSA-N	247.103	-0.036	50	10	BBGE	
CCOc1c(B(O)O)ccc(F)c1OC	2060113053	BYYAKSCEDUTIKX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CC(C)[C@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	2079601620	HCNXWLSUHKJCAC-GXSJLCMTSA-N	249.123	-0.115	50	10	BBGE	
CC(C)[C@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2211765138	NCBWXWJYQUCFAR-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
CN1CCC[C@@H]1COCC(F)(F)C(=O)NN	2211854754	RATWDXBSYAKTTO-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CCC1(C)CN(c2cc(B(O)O)ccn2)C1	2212602548	GDZWRBHDLZFBMI-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@H](CN(C)C)Nc1cc(B(O)O)ccn1	2212610736	OEWWFOVNBHYGTK-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2214600611	VGQBDYRIZFNKTN-SKDRFNHKSA-N	235.092	-0.821	50	10	BBGE	
N[C@H](CNc1ccc(B(O)O)cn1)C1CCC1	2217181618	SDHCHBCXCYDLOO-SNVBAGLBSA-N	235.096	-0.699	50	10	BBGE	
CC1(Oc2cc(B(O)O)ccn2)CCNCC1	2217185778	BFYLCJNEMAVMTK-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
OB(O)c1cnc(Oc2cncc(F)c2)nc1	2217188603	QRSBJJBPXKPMDN-UHFFFAOYSA-N	234.983	-0.517	50	10	BBGE	
CCC[C@@H](CCN)Oc1cc(B(O)O)ccn1	2217190851	AEDJEOFHGRFLHF-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@@H]1C[C@@H]1N	2217192556	OMVDECFIEPRACR-HAFWLYHUSA-N	240.043	-0.985	50	10	BBGE	
CC[C@]1(O)CCN(c2cc(B(O)O)ccn2)C1	2217197033	JZHMCZJVKVPOPB-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCNC23CC3)nc1	2217199312	LMHCRJZBVKTEPY-SECBINFHSA-N	233.080	-0.932	50	10	BBGE	
CC[C@H](O)CCCN=c1ccc(B(O)O)c[nH]1	2217203248	RTBBQPNLQFLESG-JTQLQIEISA-N	238.096	-0.854	50	10	BBGE	
CC[C@H](O)CN(CC)c1ncccc1B(O)O	2217203511	WDHDGFVOAUPZEN-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
C[C@H]1OCC[C@]1(C)Nc1ncccc1B(O)O	2217203578	XHXCMHRNZFYHSG-KCJUWKMLSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1c1ncccc1B(O)O	2223638930	NTWIBQZTNZHZEQ-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2C[C@@H](N)CC[C@H]2C)cc1B(O)O	2223646441	KQGSRWXXRIVZKM-ZJUUUORDSA-N	249.123	-0.614	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN3CC[C@H]2C3)c1	2223678084	WVTKQDPHDIQSOZ-GXSJLCMTSA-N	247.107	-0.733	50	10	BBGE	
OB(O)c1cnc(=NCc2ccccc2F)[nH]c1	2223678943	JWNRKTRJFJLECO-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
C[C@H]1C[C@H]1CCCN(C)C(=O)C#CB(O)O	2243357543	YFTYBGDDKKOZKI-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC2CC1C2	2243358168	DNXPQUTYVFVVKU-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
O=C(N1CCC=C[C@@H]1CO)C1(B(O)O)CC1	2243365894	UODFAHUUWVYBRS-MRVPVSSYSA-N	225.053	-0.857	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1sccc1B(O)O	2243376051	CUVWATWTAKXNIG-ZETCQYMHSA-N	235.073	-0.724	50	10	BBGE	
NCCCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243404291	LZYDCBBWLKABOY-DTWKUNHWSA-N	226.085	-0.953	50	10	BBGE	
C=C(CS(=O)(=O)N1[C@@H](C)CC[C@H]1C)B(O)O	2243411986	DNHMYHLYEVYVMX-DTORHVGOSA-N	247.125	-0.243	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)c[nH]1	2244146098	UAWNXVFHOZUXMO-ZCFIWIBFSA-N	228.032	-0.876	50	10	BBGE	
CC#CCOCC12CC(C(=O)NN)(CO1)C2	2245363240	OGJDKHCQSZCUBB-UHFFFAOYSA-N	224.260	-0.435	50	10	BBGE	
C[C@H]1NC[C@H]1Oc1cc(B(O)O)c(Cl)cn1	2245912942	JUZQJIFCRPAYAT-SVGQVSJJSA-N	242.471	-0.846	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])cn1	2246043390	OEHRYYORMIWWRW-UHFFFAOYSA-N	226.192	-0.784	50	10	BBGE	
C=C(C)CCNC(=O)c1ccncc1B(O)O	2247734301	RRXWILWIQSBDSI-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1N(C)C(=O)C#CB(O)O	2247747535	OYIGDQRIUNAYJW-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
Cc1cnn(C)c1CNC(=O)C1(B(O)O)CC1	2247751430	XSVHGMXPGYOKAI-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)C1(B(O)O)CCC1	2247753990	BPMNOVLGHDCVAL-UHFFFAOYSA-N	233.076	-0.085	50	10	BBGE	
CC(C)[C@@H](C)[C@H](N)CNC(=O)C1(B(O)O)CC1	2247757358	QERHSQJEZLVWQD-RKDXNWHRSA-N	242.128	-0.271	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCCCF	2247761114	RHORRWRVEXFADK-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786443	ATOQRKYBZFUIRK-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)CNC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247793548	YMDRUCZBHZHCPP-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC1CCC(O)CC1)[C@H]1C[C@H](B(O)O)C1	2247796968	FGMZWTQYMJJSJM-FIORISEFSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1CN	2247798952	YOAAANHXWDGJIZ-PRWFHZCQSA-N	240.112	-0.707	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C(=O)C1CC(B(O)O)C1	2247806629	NYSZYYFYYYNAGK-XNWIYYODSA-N	243.112	-0.143	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](O)C12CCC2	2247807655	IQSXDWMBAGMWSI-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)CN1	2247807969	SKSUOZZGGUFXGN-NFTFJBJSSA-N	240.112	-0.504	50	10	BBGE	
COc1ncc(NC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247858152	BCBOBELWIMWATH-RNFRBKRXSA-N	237.024	-0.713	50	10	BBGE	
C[C@@H]1COCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247859335	MBWPWTPEYZPBQU-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C1CCC1	2247869198	NOVYGRHCPQADGO-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1[C@@H]2CNC[C@@H]21	2247877468	HJYBARGTEFZADW-AYMMMOKOSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cc1F	2247878455	KCBDRBOHGMXYFG-SVGQVSJJSA-N	238.027	-0.961	50	10	BBGE	
CC(C)(O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247897465	SOOYDWBKOGYLEO-HTQZYQBOSA-N	243.112	-0.237	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CCO[C@H]2C1	2247908889	BNCJSYMORBNSGV-NFTFJBJSSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@H]21	2247909791	LORGAKNQCJPRBN-LRPJSKTQSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248573202	APQFGGAJYFIXOH-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
CC(C)(ONC(=O)C1CC(B(O)O)C1)C(=O)O	2248587768	UMSCJCPZFXGBJS-UHFFFAOYSA-N	245.040	-0.850	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(B(O)O)cc1F	2248967259	VOYUGUOGEFUXCN-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@@H](C)F	2248970052	NHAPJVRNUYSSJS-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
O=C(NCCC#CB(O)O)C(F)(F)CC1CC1	2249997738	APTWUMBVVISYHL-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccccc1F	2249997898	BEEZCDQIOSEOLO-UHFFFAOYSA-N	235.023	-0.039	50	10	BBGE	
C#CCCCCCNC(=O)c1ccoc1B(O)O	2255459221	CPDJXFAYHLJDCD-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255470333	BNGRERXIQBRFSL-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC2(CC2)C1	2255918856	OFCZDKGMIRMVJC-UHFFFAOYSA-N	246.075	-0.006	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1O	2255955087	ILFFWYIKZYQASA-QMMMGPOBSA-N	247.059	-0.834	50	10	BBGE	
C=C(C)C(=O)N1CCc2ccc(B(O)O)cc2C1	2256596408	YKXRDQQRVMQTBE-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
Nc1ccc(NC(=O)c2cocc2B(O)O)cc1	2258130516	HZQDXESMAJHMLY-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1ccccn1	2258139892	ZGUOCKXIZHYLIX-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368364	AFPVXZXUFSVISF-KATARQTJSA-N	240.112	-0.375	50	10	BBGE	
CC[C@H]1COCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370091	OGCBFYIYDKHGHO-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375587	QQKGZVVAAKPRKR-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](O)[C@H]1C2)C1(B(O)O)CCC1	2298375739	YCEAVUCTKYPCGN-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
C[C@@]12CCC[C@@H]1C(=O)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298376168	LHRHTOXNNWWPFB-HGIWHZBTSA-N	237.064	-0.223	50	10	BBGE	
COC[C@@]12CCO[C@H]1CN(CCC(=O)NN)C2	2299788970	AGPVKZUTVLCEGV-ONGXEEELSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H]2C[C@H]2C1=O	2300376139	XOORMEWELQHDIO-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
O=Cc1ccc(O[C@@H]2CC2(F)F)cc1B(O)O	2301420674	JZIYDZWZRAYJSH-SECBINFHSA-N	241.986	-0.035	50	10	BBGE	
CCC(CC)NC(=O)CN1CC[C@H](B(O)O)C1	2303099304	MGJNJTQRSFRUNH-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(c1cccc(O)n1)N1CC[C@@H](B(O)O)C1	2303110821	DKHYZJCKQDMJBE-SSDOTTSWSA-N	236.036	-0.524	50	10	BBGE	
C[C@@H](NC(=O)Nc1ncccc1B(O)O)C1CC1	2317595289	YRPAOECWMIBPSU-SSDOTTSWSA-N	249.079	-0.319	50	10	BBGE	
CC(C)CC(=O)NNC(=O)c1nonc1N	20899759	VCLYXNDVHLAUQO-UHFFFAOYSA-N	227.224	-0.541	50	10	BBGE	
NC(=O)CN1CCC[C@@H](Br)C1=O	70060795	DKBVKWMYGFRTSH-RXMQYKEDSA-N	235.081	-0.142	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](CO)C1	82465818	QQTLUXOHVWSJJB-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1ccc([N+](=O)[O-])n1	86313827	UFTMRQVRLUEXDY-PHDIDXHHSA-N	227.224	-0.022	50	10	BBGE	
CC(C)(CN1CCOC1=O)C(=O)NN	86598130	HEIPZCNYFOKHEO-UHFFFAOYSA-N	201.226	-0.545	50	10	BBGE	
NC[C@H]1CCN(Cc2cc(C(=O)NN)no2)C1	110577758	RCRDBWYSEIOUSG-SSDOTTSWSA-N	239.279	-0.941	50	10	BBGE	
OB(O)c1cc(F)cc(CO[C@@H]2CCOC2)c1	211660373	GKGBPFBJGCNUOT-LLVKDONJSA-N	240.039	-0.189	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	211939461	QPXXGJOCVLUVMX-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)c1ccc(Cl)cc1S(N)(=O)=O	231477893	NSMKKNMKLNFFFU-UHFFFAOYSA-N	249.679	-0.409	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H](C)CN(C)C	232268027	QEFAFHLRVPOWOE-UWVGGRQHSA-N	230.356	-0.116	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(C)C	232419114	UWEJHZJZVYLJHU-QMMMGPOBSA-N	203.286	-0.421	50	10	BBGE	
COC(=O)C[C@H](Cl)[C@H](N)C(=O)OC	238357381	JBGAUKIXHHKKKV-NJGYIYPDSA-N	209.629	-0.343	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H](O)CCCO	238419352	QRWDUDNASLOFLT-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H]1CC[C@@H](C(N)=O)CN1[C@H](C)CC(=O)NN	251890953	RTYLOTNNWORLLS-IWSPIJDZSA-N	242.323	-0.659	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCC[C@H]1O	252921814	HQMXSSHPYOLEHZ-NXEZZACHSA-N	243.307	-0.611	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNC(N)=S	300931321	CYTBDCGEMXJEQQ-WDSKDSINSA-N	217.294	-0.477	50	10	BBGE	
O=[N+]([O-])c1cc(Br)cnc1B(O)O	306611005	FRQXKNABWLVSBI-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
COc1ccc(Cc2nc[nH]n2)cc1B(O)O	379907565	ACCBZPNKEGIDMP-UHFFFAOYSA-N	233.036	-0.916	50	10	BBGE	
C[C@H](Cl)c1nc(N2CCNCC2)[nH]c(=N)n1	381259209	RCKIBUHYELJCRE-LURJTMIESA-N	242.714	-0.006	50	10	BBGE	
COC(=O)/C(C#N)=C1\NC(=O)CC[C@H]1C#N	383931870	ZHXJBCQKSWJZKB-XFIBDXMASA-N	219.200	-0.013	50	10	BBGE	
CCCC1(O)CN([C@@H](C)CCC(=O)NN)C1	384097739	DPYCNEPSSSRQAJ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1CN(CCCCCC(=O)NN)CC(=O)N1	387308265	PUHVJDBJHPZBDP-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC(=O)c1ccc2nc(B(O)O)oc2c1	396116833	VSIBRFWCQFYOSN-UHFFFAOYSA-N	204.978	-0.290	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1C(=O)O	396130172	RWXDEUPVHCEVES-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
N=C1COC[C@H](c2ccc(B(O)O)cc2F)N1	396459708	LUTPCMGXOGJQHS-SECBINFHSA-N	238.027	-0.856	50	10	BBGE	
COCCCCN(C)[C@H](COC)C(=O)NN	397140931	XVZWNUUSAVZVCU-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CCCSCCNC(=O)C(=O)NN	397376520	MNZJMYPGFGDJRD-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](CO)C1	398786207	DWQOCTSYKDBDGW-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CCN(Cc2nc(C(=O)NN)co2)C1=O	399498964	AVZCLDHSVMTHBE-LURJTMIESA-N	238.247	-0.354	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cccc(B(O)O)c1	584983852	QWXNKAIXDJIKSW-GDNZZTSVSA-N	245.087	-0.105	50	10	BBGE	
O=C(CCl)NC(=O)Nc1nccnn1	606284113	JNPIXYRGJXSJEG-UHFFFAOYSA-N	215.600	-0.242	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H]1CN(C)C2	687259490	OBWRORCTYDECPI-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
COc1cc(O)c(B(O)O)c(OC)c1OC	687750602	ZLNVMHKEPQQJPY-UHFFFAOYSA-N	228.009	-0.902	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C(C)(C)CCO	691094584	IMYDGDPURWNRFY-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@@H](C)CO	695076276	GPCVPNIUPVFVIP-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
COC1CC(CN2CC(=O)OC(=O)C2)C1	703162624	IXIKEKOAKKCGNC-UHFFFAOYSA-N	213.233	-0.203	50	10	BBGE	
CN(C(=O)[C@@H]1COCCO1)[C@@H]1COC[C@@H]1Cl	709088765	PKXFOIXQTTWIGZ-YIZRAAEISA-N	249.694	-0.134	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718160153	MEUPWLUNEHBYPL-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
N#CC1=CCN([C@@H]2CCC(=O)NC2=O)CC1	799147343	HUDCNPIUIQZEHE-SECBINFHSA-N	219.244	-0.053	50	10	BBGE	
COC/C=C\C(=O)NNc1nnc(C)n1C	856048064	OZQKCYSRQOMQAV-PLNGDYQASA-N	225.252	-0.231	50	10	BBGE	
C#CC[C@@H](COC)NCc1cccc(B(O)O)c1	863892358	TZKACQJPKNENKB-ZDUSSCGKSA-N	247.103	-0.506	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2(C#N)CCC2)nn1	1328372237	DLRBICAVKIAJNU-UHFFFAOYSA-N	248.246	-0.730	50	10	BBGE	
CC(=O)C1(C(=O)NNc2nnc(C)n2C)CC1	1330225047	LXEYTPMVFCVYOJ-UHFFFAOYSA-N	237.263	-0.064	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCc1cnn(C)n1	1354051140	LZSOMYRERHPZKW-QMMMGPOBSA-N	241.295	-0.909	50	10	BBGE	
CN1N=C(C(=O)NNc2ccncn2)CCC1=O	1637047025	JWCWOPTVKIYSOU-UHFFFAOYSA-N	248.246	-0.472	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883552804	OKUAWHASHHKOCX-BNHYGAARSA-N	206.673	-0.562	50	10	BBGE	
CN(C)CCOCC1(C(=O)NN)CC1	1884723210	BQUKPCFPPOBHAF-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
C#C[C@H](CCl)NC[C@@H]1CCS(=O)(=O)N1	1884830404	DBVWNAOMMNMBRG-SFYZADRCSA-N	236.724	-0.492	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NNC(N)=O	1884888705	DMXXZWZCGSRORN-WVBDSBKLSA-N	207.180	-0.023	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)CC12CNC2	1886857606	UHRAGGQFTNKHLU-JGVFFNPUSA-N	215.684	-0.474	50	10	BBGE	
CC1(C)[C@@H](O)C[C@]1(CO)NC(=O)CCl	1890900810	SVOAWGRTIDEDFY-IMTBSYHQSA-N	221.684	-0.137	50	10	BBGE	
CC(C)[S@](=O)N1CC[C@@](C)(B(O)O)C1	1891518102	XDPPEZVKMVGMPW-CLAHSXSESA-N	219.115	-0.003	50	10	BBGE	
C[C@H](CC(=O)NCB(O)O)P(C)(C)=O	1892764112	MUHWBHHWXTUIFX-ZCFIWIBFSA-N	221.002	-0.484	50	10	BBGE	
N[C@]1(C(=O)NC[C@H]2C[C@@H]2Cl)CCOC1	1893106299	FDVYRCJRIBVHCI-BKPPORCPSA-N	218.684	-0.152	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)C=CC(=O)Cl	1893410406	JEENLJYCVJWBEP-YFKPBYRVSA-N	218.640	-0.441	50	10	BBGE	
N[C@H]1[C@H]2C[C@H]1N(C(=O)/C=C/C(=O)Cl)C2	1893497173	CLPSVACYIDTKMP-AVLNOENBSA-N	214.652	-0.134	50	10	BBGE	
C=C(CN(CC)CCOCC)B(O)O	1895148684	KUMHYKBCTDVTSM-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCCS1	1895238522	HNEASCDGVUUWSK-ZETCQYMHSA-N	213.067	-0.986	50	10	BBGE	
C[C@H]1C[C@@]1(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901359934	OKJKOMCPXCWSND-RCOVLWMOSA-N	247.320	-0.821	50	10	BBGE	
C[C@@H]1CCN(c2ccncc2B(O)O)C[C@@H]1F	1907073210	XSRWWKZRDWXKMO-SCZZXKLOSA-N	238.071	-0.054	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)C(C)(C)C1)C(=O)NN	1914011657	UJKJUUBHFXZRST-DTWKUNHWSA-N	229.324	-0.437	50	10	BBGE	
C[C@H](CCO)N(C)[C@H](C)CC(=O)NN	1917043989	ZICJYSYJWFGFBC-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
N#CC1=CCN(CC(=O)N2CCCNCC2)CC1	1917082917	VOEDAFLRMDFEGI-UHFFFAOYSA-N	248.330	-0.036	50	10	BBGE	
COCCN(C)C(=O)NNC(=O)C(F)(F)F	1923403493	HMQNKJKUUTVFBV-UHFFFAOYSA-N	243.185	-0.132	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@H]1C[C@@H]1C(=O)NN	1927913840	NSWIRGRXRJBJKQ-HLTSFMKQSA-N	210.281	-0.154	50	10	BBGE	
NC(=O)CO[C@H]1CCN(C[C@H](O)CCl)C1	1928130463	XVZBXNZBSVJSGE-SFYZADRCSA-N	236.699	-0.838	50	10	BBGE	
OC[C@]12CN(C[C@H](O)CCl)C[C@]1(CO)C2	1928557464	VHXFEKKNICSUQG-UTLUCORTSA-N	235.711	-0.737	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C#N)CC1	1928982948	SAYMFXIYAPTJGV-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
COc1cccc(C(=O)NNCCO)c1	1929836741	OSBOUADRMCLJRL-UHFFFAOYSA-N	210.233	-0.078	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)[C@@H]1C(=O)O	1934610168	NHVYPGPQGCJPQH-RITPCOANSA-N	201.226	-0.423	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C)[C@@H](C)C(=O)NN	1937468484	WZOWVIPQOSFAHQ-RKDXNWHRSA-N	228.340	-0.363	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1941093817	TXVCVIRETUWAOG-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
C[C@]1(CO)CCN1Cc1nc(C(=O)NN)co1	1947986449	UPFGQHMZALCRNU-SNVBAGLBSA-N	240.263	-0.765	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@@H]1CCl)C1COC1	1954307392	CANPKBZFGZGCLA-IYSWYEEDSA-N	225.697	-0.068	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NNCCO)CO1	1955379351	CRQNFXTXYGAXDZ-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@]12CC2(F)F	1956907073	WMXLFQOMZXNMFL-UJURSFKZSA-N	204.969	-0.840	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOC(C)(C)C1	1959103541	SDGYCBUBLCGNGD-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@@H](O)C1	1960247177	IJIMDQNKXGZHSJ-XHNCKOQMSA-N	213.281	-0.766	50	10	BBGE	
Cc1nnc(Sc2nc(B(O)O)cs2)o1	1961725508	YIVPOLPIHZJMPO-UHFFFAOYSA-N	243.078	-0.334	50	10	BBGE	
CN1C(=O)NCC12CN(C[C@H](Cl)C#N)C2	1974909102	PYNASZNGRBKQPZ-SSDOTTSWSA-N	228.683	-0.173	50	10	BBGE	
CC(C)OC1CN(CC(F)(F)C(=O)NN)C1	1976058666	PCVCUZIJSSDOOQ-UHFFFAOYSA-N	237.250	-0.279	50	10	BBGE	
CN(CC(=O)NN)Cc1ncoc1C1CC1	1976738378	PATZJWCYXXLPNN-UHFFFAOYSA-N	224.264	-0.026	50	10	BBGE	
Cc1noc(CN(C)C[C@H](C)C(=O)NN)n1	1976742187	WIWGFLMPGUTNOL-LURJTMIESA-N	227.268	-0.564	50	10	BBGE	
Cc1nc([C@@H]2CCN2[C@H](C)C(=O)NN)no1	1976769320	YXXMDKSNBJTHLM-VDTYLAMSSA-N	225.252	-0.497	50	10	BBGE	
Cc1csc(CCN(C)C(=O)C(=O)NN)n1	1980808161	RGKVLOBDTFQNIK-UHFFFAOYSA-N	242.304	-0.558	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3CC2C3)n1	1981469397	RSTGTDFESVHLCH-UHFFFAOYSA-N	219.053	-0.937	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	1982341147	SCXDEVPESKJNLX-LYFYHCNISA-N	244.678	-0.265	50	10	BBGE	
COC[C@@H]1CN(CCCC(=O)NN)C[C@H]1C	1982497514	NWJJKCCQGCITOV-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1csc(C(=O)NN)n1	1985740476	HNFZQCZUEBGMRB-CAHLUQPWSA-N	242.304	-0.688	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1CF	1990771670	AMSMTTIJFAUJRA-VIFPVBQESA-N	231.271	-0.022	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1COCC1(F)F	1991600456	ASNHYYJITZVSPL-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
COCCNC(=O)CNC(=O)C=CC(=O)Cl	1991648557	QCNCLQDXWJNVFI-UHFFFAOYSA-N	248.666	-0.813	50	10	BBGE	
CO[C@@H]1C[C@@H](CN)N(C(=O)C=CC(=O)Cl)C1	1991650225	LRYBJOOYFCOLMR-JGVFFNPUSA-N	246.694	-0.117	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@](F)(C2)C1	2002872635	XBANUYJMOYDUOK-ATZCPNFKSA-N	245.298	-0.185	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C(F)(F)F)nc1	2004911559	IMZOHOWJPQAKGG-LURJTMIESA-N	246.985	-0.703	50	10	BBGE	
CC(C)CC1CN(c2ncncc2B(O)O)C1	2004917491	WQFVQMCZLLZERE-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncncc3B(O)O)C[C@@H]21	2004917986	YWLWNEUDCPLTCU-YUMQZZPRSA-N	233.080	-0.751	50	10	BBGE	
C[C@H]1C[C@H](N(C)c2ncccc2B(O)O)CO1	2004934305	DLRNMHFTLLVZFC-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]3C2)c(F)c1	2005015227	XPBXDDISGVPLHL-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010835307	NHPDAXDQXINKJW-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1(C(F)F)COC1	2018955109	IKMWZMHADCASJK-PHDIDXHHSA-N	247.197	-0.063	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)CC(=O)NNC(C)=O)CO1	2019213111	URADPHRVXIGNFI-VHSXEESVSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc2c(c1)COCC2	2035313502	MPKLHRDUZORNAN-UHFFFAOYSA-N	249.270	-0.635	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@H]1CC[C@@H]1N	2043163557	YYECKKMDIZFZPG-UWVGGRQHSA-N	249.318	-0.054	50	10	BBGE	
Cc1cc(OCCn2cccn2)cc(B(O)O)c1	2049635522	XTAJZROOURHZBZ-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CCN(C)[C@H]1CCN(c2ncccc2B(O)O)C1	2052494001	GURVTTMNABBVSH-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1ncnc(N2C3CCC2(C)CC3)c1B(O)O	2052558927	GXLBYHWNIIGVHE-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2[C@@H]3CCC[C@@H]23)n1	2052627941	SPKVMQBFFDSILU-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
N#Cc1ccc(B(O)O)c(Cl)c1C=O	2060099849	CTNARATZVGYZKT-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(C=O)c(OC)c(B(O)O)c1	2060235271	GDEQAQSZQSNZAP-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
OB(O)c1ccc(N2CCCCC23COC3)nc1	2077134454	LQLCUVJFAUAWDA-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1CN(C)c1ncncc1B(O)O	2079602298	LFNMXYJVRSHMBG-UWVGGRQHSA-N	249.123	-0.115	50	10	BBGE	
CCCn1nc(Br)cc1B(O)O	2208979239	FCRCBNLOUWVAPR-UHFFFAOYSA-N	232.874	-0.265	50	10	BBGE	
C#CC1CN(Cc2cccc(B(O)O)c2)C1	2211132883	SBYYFABFVFQRMO-UHFFFAOYSA-N	215.061	-0.569	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@H]1C	2211385314	QXEGIWXROBIFCC-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ncccc1=O	2211839490	VIBRMOGOSJESOH-YUMQZZPRSA-N	222.248	-0.741	50	10	BBGE	
CNC[C@@H](C)CNc1ncccc1B(O)O	2212601230	KYTFOBUUHHASAA-MRVPVSSYSA-N	223.085	-0.971	50	10	BBGE	
C[C@H]1[C@@H](Nc2ccc(B(O)O)cn2)C1(F)F	2212604694	YZAOBCNMJYTPQD-YLWLKBPMSA-N	228.007	-0.173	50	10	BBGE	
CC1(CCn2cc(B(O)O)cnc2=O)CC1	2212715542	OCAXTIKPAVYDSZ-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
OB(O)c1cccc(CN2CCCNCC2)c1	2214593104	OTMBVIUOLRWQJB-UHFFFAOYSA-N	234.108	-0.838	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12COC[C@H]1C2	2217176759	AAJKMDBFJMEXPK-LDYMZIIASA-N	234.064	-0.790	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC=CCC2)[nH]c1	2217180242	RJUPZUOQOURERI-JTQLQIEISA-N	232.092	-0.049	50	10	BBGE	
C[C@H](COC(F)F)Nc1cc(B(O)O)ccn1	2217182519	DMFZSITXKFTGEY-ZCFIWIBFSA-N	246.022	-0.199	50	10	BBGE	
CC[C@@]1(Oc2ncccc2B(O)O)CCNC1	2217185444	XMVWSBQTRXWOKJ-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1nccc(B(O)O)c1F	2217192773	JKKIBSUWQJAYQR-NKWVEPMBSA-N	242.059	-0.737	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)c1cc(B(O)O)ccn1	2217199370	LUTZEDWVCKEAES-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CO1	2217200718	ASRLAZPDUDIZTO-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2220060971	BJEQNLXPBQUASD-AAEUAGOBSA-N	249.119	-0.431	50	10	BBGE	
CCc1cc(CNc2ccc(B(O)O)cn2)on1	2223641758	DASGIQOKCXHJQW-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
CC1(N)CCC(Nc2ccc(B(O)O)cn2)CC1	2223669072	FSGNBQKHIDKXNV-UHFFFAOYSA-N	249.123	-0.167	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)C[C@H]1CN	2223673146	DVCJMQNEKAXJSG-SECBINFHSA-N	249.123	-0.818	50	10	BBGE	
N#C[C@H]1CCCN(c2ncccc2B(O)O)CC1	2223677071	JPWBVPNQMSOCGU-JTQLQIEISA-N	245.091	-0.109	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)[C@@H]1N	2223680134	ZBAUOSZJGZKLLJ-GDGBQDQQSA-N	249.123	-0.819	50	10	BBGE	
C[C@@H](O)CCNS(=O)(=O)N1CC(Cl)C1	2241349035	YWLKGIPJPKIEHK-ZCFIWIBFSA-N	242.728	-0.485	50	10	BBGE	
CC(=O)NNC(=O)c1cnnc(Cl)c1	2242213909	SIOHAAXDKFVCAL-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CO[C@H](CCl)CNS(=O)(=O)N1CCC1	2242440262	QEXADWBBYJWMGV-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@@H]2C[C@H]21	2243348209	VGDLHUAOACBCPY-HZGVNTEJSA-N	237.089	-0.338	50	10	BBGE	
C#CCCN(C)C(=O)c1ccoc1B(O)O	2243356606	KKZLFXKFWOMHSM-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CN(CCCCC(F)F)C(=O)C#CB(O)O	2243361617	DOMLNNAIDXOLGU-UHFFFAOYSA-N	233.023	-0.104	50	10	BBGE	
O=C(NCC1(O)CCC1)[C@H]1C[C@H](B(O)O)C1	2243391772	OBQYXIKAACGBKU-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
NC[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2243396352	LCOQZTVFWQFEDB-SMIAOZBLSA-N	226.085	-0.907	50	10	BBGE	
C=CCONC(=O)c1scc(B(O)O)c1C	2243414337	YRQZYGGMDBHZIU-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(C=CCO2)C1	2243419698	FENQMGHINYAAPD-SFYZADRCSA-N	223.037	-0.983	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1CO2	2243420544	VHROLARMNZCFHP-XSPKLOCKSA-N	225.053	-0.761	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)co1	2244211961	KOTZOEAHSVBQTM-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2244343090	CNRYKPVQIYSOOF-QCBRBAQYSA-N	227.308	-0.542	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@]12CCC[C@H]1C2	2244548662	SJQMWROWNSSGTB-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C=CCC1	2247722664	MWLUJEWYPAMPKM-MRVPVSSYSA-N	235.048	-0.284	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2247732397	FCWNVVMUQPFOBI-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2247735543	ZXLCSOGRYARZNT-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2247742510	PSMYQALNIVQSHB-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1cc(B(O)O)c[nH]1	2247747475	OAGRSQPQPFNOKP-FKQCQYRASA-N	240.043	-0.828	50	10	BBGE	
CC[C@@H]1CCOCC[C@H]1NC(=O)C#CB(O)O	2247748074	XJAUZJANPGUXGU-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1CC(CNC(=O)C#CB(O)O)C[C@@H](C)O1	2247748252	ZVHXMBHDGGBARS-RKDXNWHRSA-N	239.080	-0.678	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCNC1	2247754665	FFBOWEHQADJJOO-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@]1(C)O	2247756274	SDYMLGQCAWJNIO-WPRPVWTQSA-N	241.096	-0.387	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247757305	QSTKNOXTJPTARB-DTORHVGOSA-N	238.096	-0.702	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1C(=O)C1(B(O)O)CC1	2247758445	VIFLGLVNWMCYAO-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(F)c(B(O)O)c1	2247759473	RAWNZGBOXPUMAF-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
CCCCCNC(=O)c1ccc(B(O)O)cn1	2247769878	LRXWGSWGLWNMOT-UHFFFAOYSA-N	236.080	-0.319	50	10	BBGE	
CC(C)(C)ONC(=O)c1cncc(B(O)O)c1	2247775088	GVFKBWVADGUFCS-UHFFFAOYSA-N	238.052	-0.779	50	10	BBGE	
O=C(NCc1cnccn1)[C@H]1C[C@@H](B(O)O)C1	2247786306	YVEIWCZKQIZPOV-OCAPTIKFSA-N	235.052	-0.654	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247786463	BCZRYQHTFDLYON-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(N2CCC2)C1	2247788052	YNXVRKWYHLMZHJ-DTORHVGOSA-N	238.096	-0.844	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)cs1)C1CC1	2247791971	QPVIMYHNGUICGH-SECBINFHSA-N	249.100	-0.431	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2CC(B(O)O)C2)[C@@H]1C	2247797701	MGGGXSCKULMYFL-ACLMFKJJSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H](CO)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247808668	LRJBECWZOSENHE-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1COC2CC1C2	2247809062	NKZCQYFARPRMFD-HZUXAKDWSA-N	239.080	-0.515	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1N(C)C(=O)C#CB(O)O	2247848639	OLEKLBWRCVVDLD-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
Cc1ccc(C(=O)N2CCCO2)c(B(O)O)c1	2247853473	MQPCNBZVZQUKDC-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247886653	DXXBYJQIATWQKS-KGDYZURWSA-N	241.096	-0.533	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247899147	KSTBEKYGHUHFLS-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
Cc1noc(C)c1CC(=O)NCC=CB(O)O	2248401777	NXLXKYNYIZXHMN-UHFFFAOYSA-N	238.052	-0.482	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cscn1	2248420460	UZVIMYKBGGEASC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC#CC(=O)N(C)Cc1ccccc1B(O)O	2248430135	VECGSFXYBYIGAN-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248573898	LEVVYLAGHOJLHB-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](CCNC(=O)C#CB(O)O)CCC(=O)O	2248577891	PNQYUESMTHRADR-QMMMGPOBSA-N	241.052	-0.991	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248579607	RSCMDGJOUCXZOX-JECWYVHBSA-N	243.068	-0.439	50	10	BBGE	
COC[C@@]1(C)C[C@H]1Nc1ncccc1B(O)O	2248681528	ZXTZJGDRRQVHGE-MWLCHTKSSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)CC(NC(=O)c2cocc2B(O)O)C1	2249409006	SOOQTUXRLNRZTP-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1cocc1B(O)O	2249418533	VJQXRZANELTVEA-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1cocc1B(O)O	2249424047	NREOBGTZMSKEDH-CPCISQLKSA-N	235.048	-0.368	50	10	BBGE	
CC1(C)[C@H](C(=O)NCCC#CB(O)O)C1(F)F	2249998611	LDGCDLFTAXQCER-ZETCQYMHSA-N	245.034	-0.201	50	10	BBGE	
O=C(C[C@H]1C[C@@H]1C1CC1)NCCC#CB(O)O	2250002448	LJPILHHOUVWJJH-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]1c1ccccc1	2255472385	FQBLIULONICROU-NEPJUHHUSA-N	243.071	-0.078	50	10	BBGE	
C=C1CON(C(=O)c2ccc(C)c(B(O)O)c2)C1	2255508709	BTBQMRFUJQEQFY-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1c[nH]nc1B(O)O	2255554126	IMVDGJBCBPKIEE-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)NC1[C@H]2CC[C@H]12	2255917082	KQNRHWTYAREWOC-UWVGGRQHSA-N	246.075	-0.104	50	10	BBGE	
C=C[C@@H]1COCCN1Cc1cccc(B(O)O)c1	2257639080	VRBSYSYCQHTZKB-CYBMUJFWSA-N	247.103	-0.247	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]1C(=O)O	2260824876	IGKMOKPYXOLOSU-DTWKUNHWSA-N	249.031	-0.974	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@]21CO)[C@@H]1C[C@@H]1B(O)O	2298375717	XLJJBYQHUFJJNT-KSFAHDSMSA-N	239.080	-0.874	50	10	BBGE	
C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376682	ISIMQQVHJLZRCQ-FXPVBKGRSA-N	241.096	-0.530	50	10	BBGE	
C[C@@]1(CCO)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377447	RPKKBWOZFWWNAE-YWVKMMECSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](O)CC2(CC2)C1	2298377548	VMLLHMBETSBSJL-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC2CC1(CO)C2	2299757313	WLIGWYREGMSYSM-YZRBJQDESA-N	241.335	-0.008	50	10	BBGE	
Cc1nc(OC2[C@@H](C)C[C@@H]2C)ncc1B(O)O	2301181104	XPMHPQGOKHQTQY-BQBZGAKWSA-N	236.080	-0.112	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302402562	YTNVOBIBONPIQL-MMWGEVLESA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@](C)(B(O)O)C2)CO1	2303110076	XERNSVIPMDBEKH-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@](C)(CN1CC(NC(C)=O)C1)C(=O)NN	2303425496	CTEIUXZMXJVDKW-NSHDSACASA-N	242.323	-0.787	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](OC)CC1=O)C(=O)NN	2303430203	ZWIQXOLGKJUSPL-KWQFWETISA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H]1c1ncno1	2307495408	CVMUAZIJAGZWTF-QMMMGPOBSA-N	239.279	-0.023	50	10	BBGE	
Cc1ccc(C=CC(=O)NNC(=O)CO)o1	2308451444	DSSGBAWPVMUVRF-UHFFFAOYSA-N	224.216	-0.259	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	2312518785	PYVGVPQPAWVSNK-LBWRMUMUSA-N	249.314	-0.131	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21	2312848028	GOLNEIAXPZAQRD-KSLZLVKMSA-N	247.103	-0.105	50	10	BBGE	
CN(CC(C)(C)N)c1ccc(B(O)O)cc1C#N	2317161706	OBEYRHWGTVMXOM-UHFFFAOYSA-N	247.107	-0.588	50	10	BBGE	
CNC=C(C#N)C(=O)N1CCN(C)CC1	2325467595	MCTIDPJCTUDHAV-UHFFFAOYSA-N	208.265	-0.613	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCN1)c1ccccn1	49826395	UHCYDXXUVSWDIF-VIFPVBQESA-N	234.259	-0.405	50	10	BBGE	
NC[C@@H]1CCN(CCCC(=O)NN)C1	82468094	GTOBZVDGXCTBMI-QMMMGPOBSA-N	200.286	-0.963	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](N(C)C)C1	82469337	WRUFRFLKGFWSNC-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](C)CC(=O)NN	82471191	MECLQYXRQDPZDS-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCCS1	83591039	JPCYTQJRXBRNRQ-SCSAIBSYSA-N	205.308	-0.254	50	10	BBGE	
COC(=O)c1ccnc(NC(=O)NN)c1	116544862	OWGZQKMFEWZVAC-UHFFFAOYSA-N	210.193	-0.137	50	10	BBGE	
N#CC1=C(N)N2CCN=C2C([N+](=O)[O-])=C1	139115181	TYISOFPQZNUIFA-UHFFFAOYSA-N	205.177	-0.431	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCCCl)C(N)=O	162551260	AMRYYLWWRHKLJG-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
CC(C)(O)c1nnc(-c2ccc(B(O)O)cc2)o1	198190286	HUHFQBDJEZVPHI-UHFFFAOYSA-N	248.047	-0.356	50	10	BBGE	
Cc1cc(CN2CC[C@H](N)C2)oc1C(=O)NN	203226816	FJGVTFFVAIUUIP-QMMMGPOBSA-N	238.291	-0.275	50	10	BBGE	
O=C1NC(=O)[C@@H](CCl)[C@H](C(=O)O)N1	211556381	WOCHDYNCASINRC-STHAYSLISA-N	206.585	-0.866	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228125034	HJIWVFPWSMZCCW-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](Br)C(=O)NCCC(N)=O	235144463	UAXKEOVJPFQDRD-SCSAIBSYSA-N	223.070	-0.239	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)C[C@@H]1CN	235594198	BKDCROWPNFNYRC-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1CO	250691301	KSMBTXQMHCNYRQ-IUCAKERBSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@H](C)CC(=O)NN)C1	252785823	VCCOFUDPZHNLIN-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@H](C)C1	300000135	YQOXPELPRWGLJV-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@H]1CN(C)CCCN1[C@@H](C)C(=O)NN	300354197	CHDWZPRIKJRKSC-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@@](O)(CCl)[C@@H]1O	306545317	DPQRLGLZWCGBGE-KCDKBNATSA-N	217.048	-0.727	50	10	BBGE	
COC(=O)O/C=C(\C=NNC(N)=O)OC	308685272	ZRLLFSWZDJSBOH-VQANKYEUSA-N	217.181	-0.089	50	10	BBGE	
COC(=O)/C(C#N)=C(N)/C(C#N)=C/N(C)C	390481675	LPYOVWCPQVXFTG-MUIOLIGRSA-N	220.232	-0.135	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CCCC(=O)NN)C1	401698182	LMBCJHUYIDNTFI-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)[C@H](C)CO1	404109244	VSKYAIGAXRRMIH-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CCN1CC[C@@H](N(C)CCCC(=O)NN)C1	689048740	QKUVRXXWWWHVJC-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H](C)O1	689162421	XKCHHAUUDYCTCG-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
COC[C@](C)(CO)N(C)C[C@@H](O)CCl	689313863	DNBKLKKIPHOXLZ-IUCAKERBSA-N	225.716	-0.085	50	10	BBGE	
CN(C)NC(=O)[C@@H]1OCC[C@@H]1C(=O)O	689987185	KHGRKNRNDFNYBC-NTSWFWBYSA-N	202.210	-0.931	50	10	BBGE	
Cc1nn(CC[C@H]2CCCO2)c(C)c1B(O)O	694274824	DTCDIFODDMPAEH-SNVBAGLBSA-N	238.096	-0.251	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@H](CCl)C2)n1	697204840	VYJRUGKFNPSXAP-ZCFIWIBFSA-N	229.671	-0.089	50	10	BBGE	
O=C(NCC1CC1)Nc1ccnc(B(O)O)c1	701070280	KXOGORHCYAHJRW-UHFFFAOYSA-N	235.052	-0.707	50	10	BBGE	
CN(CC1CC(C)(C)C1)C(=O)C(=O)NN	706100156	AIXUUVPEXCIKFY-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccns1	716413755	UHVAEXZWCNEZKY-SCSAIBSYSA-N	214.250	-0.690	50	10	BBGE	
Cc1cc(B(O)O)cc(OC(F)F)n1	716784796	VKAOTHGANUSQAY-UHFFFAOYSA-N	202.953	-0.329	50	10	BBGE	
CNC(=O)NNC(=O)[C@]12C[C@H]1COC2(C)C	823424543	DJJGMHURALBIAH-WKEGUHRASA-N	227.264	-0.238	50	10	BBGE	
C#CC[C@H](COC)NCc1cccc(B(O)O)c1	863892357	TZKACQJPKNENKB-CYBMUJFWSA-N	247.103	-0.506	50	10	BBGE	
CCOC1CN(Cc2cscc2B(O)O)C1	1231946193	OOUXNEVAKTULJK-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C/[C@H]1CCOC1	1292257775	JGQDYPIVSYFKHM-RTMURIBGSA-N	227.264	-0.119	50	10	BBGE	
CSc1cccc(C(=O)NNC(=O)CO)n1	1457721207	MENDTUXIQHKBNB-UHFFFAOYSA-N	241.272	-0.443	50	10	BBGE	
CN(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(N)=O	1545887850	QVMJHHJMNLNIPN-BAQGIRSFSA-N	248.246	-0.631	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc2ccnn12	1583488933	NPWQZTWFKRCINA-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
Cc1nnc(CCC(=O)NN(C)C(N)=O)o1	1623316319	OQDUYKSSJNULLY-UHFFFAOYSA-N	227.224	-0.648	50	10	BBGE	
O=C(NNc1cccnn1)c1ccc(O)nn1	1637052729	ZJBGBKPZVSZHNA-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
C[C@H](O)C(=O)NNc1ccc(C#N)cn1	1645055743	NRWMBDVFXAOORC-LURJTMIESA-N	206.205	-0.223	50	10	BBGE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880022378	BTEGYBLZMQZGHV-ZETCQYMHSA-N	246.311	-0.569	50	10	BBGE	
CO[C@H]1C[C@@H]1NS(=O)(=O)CCCl	1881095722	VVRODTOAORSGEZ-WDSKDSINSA-N	213.686	-0.068	50	10	BBGE	
C[C@H]1CNC(=O)CN1C[C@@H](O)CCl	1882314799	DZGZNWCRGCGPBJ-BQBZGAKWSA-N	206.673	-0.594	50	10	BBGE	
O=C(F)NCC1[C@H]2CS(=O)(=O)C[C@H]12	1882787560	NPLSOVVDRWBTMX-PHDIDXHHSA-N	207.226	-0.044	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@@H](O)[C@H](O)C1	1885939685	WMADRDHNPJUFTK-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
CN(C)NC(=O)C(F)(F)[C@@H]1CCNC1	1886209002	WEQVDEUWBPEQCL-ZCFIWIBFSA-N	207.224	-0.176	50	10	BBGE	
C[C@@H](O)CCCN(C)CCC(=O)NN	1886909336	WCUHKPYZWCMEND-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
C[C@]1(C(=O)NCC=CB(O)O)C[C@H]1F	1892918647	BJOJWKXBXHSYOR-SVRRBLITSA-N	201.006	-0.581	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@H]1COCCN1	1893106780	HVJMUYNLLBGTNF-XLPZGREQSA-N	218.684	-0.282	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@H]1Cl)N1CC(O)C1	1893127832	KKHKCSLGKOMXNE-IYSWYEEDSA-N	240.712	-0.875	50	10	BBGE	
CON(C[C@@H]1CC[C@H](C(=O)NN)O1)C(C)C	1896174907	AECCPERBLXTCPV-DTWKUNHWSA-N	231.296	-0.204	50	10	BBGE	
CC#CC[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1901375593	OEQREAJKYOINAF-QMMMGPOBSA-N	247.320	-0.960	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)C[C@H]1C	1901765168	UWOPUROJWFFOPH-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
OB(O)[C@H]1CCN(CCO[C@@H]2CCOC2)C1	1902514219	WDOKNGIFNNRNJV-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
CC(C)(C)[C@H](SCCNCCN)C(=O)NN	1923485669	RZSDJTOBIFJGIC-MRVPVSSYSA-N	248.396	-0.328	50	10	BBGE	
CC(C)(C)OC1CC(CNC(=O)C(=O)NN)C1	1924890794	DHFFLDLBCKAKMX-UHFFFAOYSA-N	243.307	-0.314	50	10	BBGE	
CC1CCN(CCOCC(=O)NN)CC1	1928183476	VJXRIWCYWPLZLZ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
NNC(=O)[C@@H](N)COCc1ccccc1	1931704378	OXHXTGYTIRIFLB-VIFPVBQESA-N	209.249	-0.480	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C(F)(F)C1	1931821344	FRDPVGHWMVVVKN-NTSWFWBYSA-N	223.223	-0.933	50	10	BBGE	
CN1CCC2(CC1)CN(CC(=O)NN)C2	1932293617	SEMKMJAGSNBQEG-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1935544862	AXSZKWLIEDJCPI-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1935772086	OLQQACYVXGLYEA-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc(C2CC2)n1	1936079932	HIADXTXGGUYQPQ-SFYZADRCSA-N	221.264	-0.219	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)n1	1936086318	YEOZCALIRCWVAW-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
COCCN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC1	1936095150	ULZARHZCDLMFJB-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)COCCN1CCCC2(CC2)C1	1936534561	OUXPRXCTTWDVKW-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCCO1	1936536869	RSQOHXRASKBDPA-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CN1CCCC[C@H]1Cn1ccc(B(O)O)n1	1937000132	IWQRQOFXIUWPLH-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](C(=O)N(C)C)C1	1940305509	YEZXKBUNLYHJDQ-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C[C@H]1C[C@H]1C(=O)NN	1941085708	FJMCWIWGIRVXIX-GWOFURMSSA-N	240.351	-0.363	50	10	BBGE	
COCCCOCCOC[C@H]1C[C@@H]1C(=O)NN	1941086366	QVYXBMFWZLJPAZ-ZJUUUORDSA-N	246.307	-0.318	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941087154	AQFMVXHLWPGOBM-YTWAJWBKSA-N	241.335	-0.437	50	10	BBGE	
OB(O)c1ccn(C[C@@]23CCC[C@@H](CO2)C3)n1	1942411775	IUQHCCCDRJZKED-KOLCDFICSA-N	236.080	-0.478	50	10	BBGE	
CC(CO)(CO)[C@@H](O)CBr	1952131659	HSVQQOCWHUKFFQ-YFKPBYRVSA-N	213.071	-0.267	50	10	BBGE	
O=S(=O)(CCl)NCC[C@@H]1COC[C@H]1O	1956481393	HRONGAYSDXKZPN-RNFRBKRXSA-N	243.712	-0.501	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](CN)C(C)C	1958089816	MEDAVFQQUAXXRU-QMMMGPOBSA-N	233.337	-0.130	50	10	BBGE	
CC1(C)CN(c2ncc(B(O)O)cn2)C1	1961678055	KSIKSYMOXSKRBV-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]1c1ncon1	1976754791	CFLGPYZRFVZFJD-SSDOTTSWSA-N	225.252	-0.414	50	10	BBGE	
Cn1cc([S@](C)(=O)=NCCC(=O)NN)cn1	1977066686	VKEWRZCLCBIMFB-INIZCTEOSA-N	245.308	-0.743	50	10	BBGE	
COC[C@@]12CN(CCC(=O)NN)C[C@@]1(C)C2	1978983098	ZIHBNTKOGVDBFY-GHMZBOCLSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2OCC[C@@H]2C1	1981242240	KXCRDKUCCKILBZ-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
COC[C@H]1CN([C@H](C)C(=O)NN)CC1(C)C	1982496042	AWOSJDWNBYQLMT-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1C(F)F	1982687769	VMHZMCHARLBJJF-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987556751	PMZIZHQAWLAONP-GUBZILKMSA-N	226.324	-0.611	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC(CF)C1	1988002007	QSKOXMNOOXBZME-UHFFFAOYSA-N	228.007	-0.694	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](CO)[C@@H](CO)C1	1991713329	RLWPJRARSZBESC-XLNBVVSQSA-N	247.678	-0.633	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]2C[C@H]2C1	1992153033	KXJINPQOEGFOOU-AEJSXWLSSA-N	221.065	-0.446	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](OCCO)C1	2003872200	LFCVVYMZUZGCLC-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3C[C@H]3C2)c1B(O)O	2004974532	LOQKMJPGKVUIIR-BDAKNGLRSA-N	233.080	-0.689	50	10	BBGE	
COc1nc(N2CCC[C@@H]2C)ncc1B(O)O	2005014698	PCCJWHSPUWLWFD-ZETCQYMHSA-N	237.068	-0.846	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1[C@@H]2CCC[C@@H]12	2008840480	MUPDCRXYSUBQLK-NXEZZACHSA-N	233.076	-0.426	50	10	BBGE	
CCN(CC(N)=O)C[C@H]1CC[C@H](C(=O)NN)C1	2010836075	VYNKERVBLKTHNJ-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
CCn1nc(C(=O)NCC=CB(O)O)cc1C	2020063923	ZYGCPVWSJVMPES-UHFFFAOYSA-N	237.068	-0.491	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1[C@H]2COC[C@H]21	2020067077	CRMVPLXRORRQMW-BKFJMODKSA-N	237.064	-0.904	50	10	BBGE	
COC[C@@](C)(CN(C)C[C@H](C)C(=O)NN)OC	2021121220	KNDFRWFRDKPKCS-GXSJLCMTSA-N	247.339	-0.404	50	10	BBGE	
C=C(CN1CC[C@H](CN2CCCC2)C1)B(O)O	2021163651	WWQYMWIBRQHZSQ-GFCCVEGCSA-N	238.140	-0.028	50	10	BBGE	
C=C(CN(Cc1cnn(C)c1)C1CC1)B(O)O	2021163879	ZJOMJAPMYTXDDT-UHFFFAOYSA-N	235.096	-0.047	50	10	BBGE	
C=C=CCCNC(=O)c1cccc(B(O)O)c1	2022196562	OGKYITVIBFKDAB-UHFFFAOYSA-N	231.060	-0.173	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@](C)(CO)C1	2022237354	FXZUDIDFZQZIIJ-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccc(OCCc2cccnn2)cc1	2029679474	WBZRQOLODKXKLM-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@H]1CO	2031686947	RCAZCVSYTQZWSN-LBPRGKRZSA-N	249.314	-0.214	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2CN3CCC2CC3)c1	2033953533	VUGUELWZLSYQMV-LLVKDONJSA-N	249.123	-0.705	50	10	BBGE	
CN1CC[C@H](CN(C)c2ccc(B(O)O)cn2)C1	2052472365	KYQZZJJURDSHIN-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)[C@@H]2CC[C@@H]21	2052493284	VHGVVGYTVCLBLT-NWDGAFQWSA-N	247.107	-0.956	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2CC[C@H](C1)O2	2052620186	PUXMQMOFZHLDNI-PHIMTYICSA-N	248.091	-0.563	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3COCC[C@@H]32)n1	2073043209	MNMJWUMPCAXXCU-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CN2CCC1CC2	2077337212	KEGNRXRTHSCEJP-GFCCVEGCSA-N	248.091	-0.766	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	2079519158	MMQYPWAMOZFTSA-DTWKUNHWSA-N	248.091	-0.008	50	10	BBGE	
CN(NC(CO)CO)C(=O)OC(C)(C)C	2208913453	JNKDBFHJMNCQCD-UHFFFAOYSA-N	220.269	-0.289	50	10	BBGE	
CN(C[C@H](F)C1CCCC1)C(=O)C(=O)NN	2212188894	FYLAZTOVAHRXRG-QMMMGPOBSA-N	231.271	-0.037	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC12CN(C)C2	2212308611	NWDBPOQBRAIXAY-IUCAKERBSA-N	226.324	-0.609	50	10	BBGE	
CC[C@H](COC)Nc1ncccc1B(O)O	2212601487	OQQSTIAHFPRBJG-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
CCCCCN(C)CCC(=O)NCB(O)O	2212709354	SGNZYFQLTISMGX-UHFFFAOYSA-N	230.117	-0.373	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@@H]1CC[C@H]1C(=O)NN	2215776238	LPNFSDVWNXEEAZ-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(F)C2)CCOCC1	2216882479	ZZIIABHNZPPDHK-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCCCNC1	2217173576	PBBNYDGFGPHIDD-VIFPVBQESA-N	236.080	-0.718	50	10	BBGE	
C=CCO[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2217178649	YRWMNNSLWVDOIB-VIFPVBQESA-N	236.080	-0.814	50	10	BBGE	
C[C@H](CC#N)N(C)c1nccc(B(O)O)c1F	2217179225	IFBMHKNNFCINPP-SSDOTTSWSA-N	237.043	-0.361	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@H]2C)c(B(O)O)c1	2221624521	DQGCMPJGIWVYMG-APPZFPTMSA-N	249.075	-0.031	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CN[C@@H](C3)C2)c1	2223658843	CJIMYEDUDIBDDT-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@@H]2C[C@@H](O)C3)c1	2223668988	DWERLFWQOMTAJE-JGPRNRPPSA-N	248.091	-0.747	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@]23CCCOC3)nc1	2223673488	KRCJQOYMANERSR-KOLCDFICSA-N	249.079	-0.863	50	10	BBGE	
CCn1cnc(CNc2ncccc2B(O)O)c1	2223674654	QVDHQQHCFSHUNS-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(B(O)O)cn1)C2	2223678410	BGKFAJWNTIXXCW-GDPRMGEGSA-N	247.107	-0.923	50	10	BBGE	
O=C(O)CCCNC(=O)C1(B(O)O)CCC1	2243347162	IKLNGGBZVLLHSO-UHFFFAOYSA-N	229.041	-0.636	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1=O	2243348070	SNGISRLZXLBXHK-ZETCQYMHSA-N	225.053	-0.222	50	10	BBGE	
O=C(C#CB(O)O)NCCC1CC(F)(F)C1	2243349618	NYLIAUSHXLQYSS-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
CN(CC1CCSCC1)C(=O)C#CB(O)O	2243356301	FLNCILAFMXIRMO-UHFFFAOYSA-N	241.121	-0.397	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)o2)C1	2243357138	RQWFMTHYRDFYSL-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
CCN(CCF)C(=O)c1ccoc1B(O)O	2243361648	FCSTYXCRKMDKSS-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2243362910	YHZXVZDKAACKOA-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243363974	PIZXUTWIERBKMF-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243392663	VXSKUHRQEJHHIY-CIUDSAMLSA-N	224.069	-0.143	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CN1	2243397214	XGIUNDLLZOCZSX-KRTGUUSXSA-N	226.085	-0.894	50	10	BBGE	
Cc1cc(CN(C)C(=O)C#CB(O)O)sn1	2243401419	QWPZINRTHGHKPX-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)C1(B(O)O)CC1	2243407967	DFNIIQNSDYZCBI-KAVNDROISA-N	225.053	-0.713	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1cc(B(O)O)cs1	2243678909	PSEOSLTXMCZFRY-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
Cc1cnc(SCC2COC2)c(B(O)O)c1	2244479575	ALTHWBWNUQYGIE-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1ccc(B(O)O)o1	2247737496	HHUWSIDEAMOGBE-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
CC(C)O[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247742086	KKWMXQGQZACHRT-SNVBAGLBSA-N	239.080	-0.582	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc(B(O)O)o1	2247743478	DUXCJRGOWFNGLQ-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1occc1B(O)O	2247753335	FSWKAEFPMHYGGX-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2247754362	FYJKVISGRUMVPZ-IWSPIJDZSA-N	239.080	-0.371	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)cn1C(C)C	2247755983	FFMDJCXSYNYGOX-UHFFFAOYSA-N	238.096	-0.111	50	10	BBGE	
CC(C)(C)CNC(=O)c1ncccc1B(O)O	2247770314	OGPMZIHIUOYICG-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
CCn1cncc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247790855	JYHHDRHEMIHJHT-IUCAKERBSA-N	237.068	-0.618	50	10	BBGE	
CCCC1(NC(=O)c2c[nH]nc2B(O)O)CC1	2247797155	GQHSTORZXZCVCT-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
O=C(NCCOCCC1CC1)[C@H]1C[C@@H]1B(O)O	2247800231	MYRFWOJXGPXNIR-UWVGGRQHSA-N	241.096	-0.218	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247805169	JRRRLLNUCWFRRC-UTLUCORTSA-N	241.096	-0.267	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247850196	LHFQRQZCIZLTQT-GZMMTYOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N1CCNCC2(CC2)C1)C1(B(O)O)CC1	2247871702	GLQLCKIYBJAECL-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]1CCCO	2247886643	DVPJKNVUEBGVJG-LPEHRKFASA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C(C(F)F)[C@@H]2C1	2247887188	LFTOANNCHKNZBN-GBNDHIKLSA-N	245.034	-0.181	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895615	UMMRFWYTWDAZOG-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
COC(=O)C(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2247895816	VNENJKLUTHENND-NKWVEPMBSA-N	243.068	-0.835	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247897103	NZBSMQDJQMDJNN-GUBZILKMSA-N	240.112	-0.563	50	10	BBGE	
C=C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2249038350	PEBDJKPFDHFTLO-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC[C@@H]1C(F)F	2249239118	PPUGYIDOHMRZSZ-YUMQZZPRSA-N	245.034	-0.201	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cccc(B(O)O)c1	2249306190	ZGHANCIXIXURSK-QMMMGPOBSA-N	239.055	-0.204	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)co2)CC1	2249416489	SIIIHPNUPVYTKZ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C1(C)CC1	2249427587	IMSQHVVNFMTCNT-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249576163	OCTUNLHMRKIBMZ-GUDRVLHUSA-N	241.335	-0.152	50	10	BBGE	
Cc1cccnc1C(=O)NCCC#CB(O)O	2250001877	CXEHINFGXHECEW-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H](C2CC2)C1	2255466884	GBPHCFPCSDAMHZ-VIFPVBQESA-N	248.091	-0.433	50	10	BBGE	
CC#CCN(C)C(=O)c1cccc(C)c1B(O)O	2255510976	CPNPOLZLVZYNDZ-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1C	2255512044	TUHXCHVLFZBAJM-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
C#CCCN(CC)C(=O)c1ncccc1B(O)O	2255517923	GITXOPHRLODWPH-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
COc1ccc(C(=O)N(C)C2CC2)c(B(O)O)c1	2255526493	UZOQGDDKPYTWBO-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
O=C(NCCc1ccoc1)c1ccoc1B(O)O	2255715962	MNHBBUISGDPDDS-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CC23CC3)c1	2255730770	SSYMDZDKOZLCHE-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
C[C@@]1(NC(=O)c2n[nH]cc2B(O)O)C=CCCC1	2255762711	ZWSUEVZGIKVJTN-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1[C@@H](C)[C@H]1C	2257492259	UBSQCMHNUUXLAV-AKZRSSKFSA-N	248.091	-0.546	50	10	BBGE	
OB(O)c1cnc(NC2C[C@H]3C=C[C@H](C2)C3)nc1	2257938746	LWQNFNHTDROUCP-IUCAKERBSA-N	245.091	-0.077	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(F)c(B(O)O)c1	2263401120	IAJSOWXAWHHVTK-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368925	CCOXAUSHGNCLIH-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC2(COC2)C1	2300391624	WWKOLCLQJBEGQT-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(B(O)O)C1	2303100211	XGIJZLKGYPUZMU-MWLCHTKSSA-N	240.112	-0.384	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836656	PCTDKBCGAAAVFB-ATVXKPNKSA-N	240.043	-0.918	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1[C@@H]2C[C@@H]1CN2	2317160268	BQWMNMRRUPVOQG-JFUSQASVSA-N	243.075	-0.990	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1(CN)CCC1	2317209646	UJKQRANRSGQEHO-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349741	IGUGCNFUTBAGAI-PELKAZGASA-N	249.075	-0.374	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C(C)(C)C(=O)O	61176042	YVCYZWRJRFRAMX-UHFFFAOYSA-N	245.279	-0.661	50	10	BBGE	
CN(CCc1ccncc1)CC(=O)NN	82468119	RAWYJCNWJXVZAY-UHFFFAOYSA-N	208.265	-0.454	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCOC1	82545669	PSNOVVHSIXPWTQ-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	84420991	QWEDXBUCUMRMRF-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
NC(=O)CCS(=O)(=O)CCBr	88108031	JAZRXDDCPGBQLL-UHFFFAOYSA-N	244.110	-0.329	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)[C@H](C)Cl	130226900	XHKXNMQUTNITSQ-NKWVEPMBSA-N	234.683	-0.413	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1CO	135326629	WIUVQLDQFSKRPZ-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)c1cnn(C)c1	149103632	BOCQFSXMZQEGGP-SSDOTTSWSA-N	241.251	-0.678	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccc(C)o1	193132335	MNGBLVPOWIYQNA-UHFFFAOYSA-N	211.221	-0.432	50	10	BBGE	
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1CCCC1	197127572	QUXVIAHXXPEAMY-UWVGGRQHSA-N	240.112	-0.493	50	10	BBGE	
CO[Si](CCCN=C(N)N)(OC)OC	218492728	AWEQQCQTINXZSF-UHFFFAOYSA-N	221.333	-0.472	50	10	BBGE	
Cn1cc(OC[C@H]2CC[C@@H](C(=O)NN)O2)cn1	227957649	MLOXNNGXFJMZKX-APPZFPTMSA-N	240.263	-0.664	50	10	BBGE	
CC(=O)NCCCN(NC(C)=O)C(C)=O	238086661	CXYZNMXTDWULEY-UHFFFAOYSA-N	215.253	-0.588	50	10	BBGE	
OB(O)c1cnc(Br)cc1O	238631612	GHTCFEXAEBUKHI-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1C(=O)NC	251234272	RHFGVCCETQLTMC-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CCO[C@H]1CCCN([C@H](COC)C(=O)NN)C1	300019095	ISYJEWDQUTXBIY-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CNC(=O)CSCc1occc1C(=O)NN	300791116	HKGHCGAPBFYEHF-UHFFFAOYSA-N	243.288	-0.138	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1CC(=O)NN	307276497	WMBUIMWOBMTIIT-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
CC[S@](=O)N1CC[C@@H]2C(=O)OC(=O)[C@H]2C1	307286396	QYKWNNRRQXNWHE-AKRFPOAQSA-N	231.273	-0.309	50	10	BBGE	
C[S@](=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	307613735	MGKATTWEKCXWTE-ANYMCVJYSA-N	231.726	-0.726	50	10	BBGE	
CN1CC[C@@H]2CN(CCC(=O)NN)C[C@H]2C1	309338105	KKPKSRUPLDIFMP-NXEZZACHSA-N	226.324	-0.750	50	10	BBGE	
CCCc1nnc2n1C[C@@H](C(=O)NN)CC2	380327782	ISDUCMPXQDHITG-ZETCQYMHSA-N	223.280	-0.217	50	10	BBGE	
COc1ccc([C@@H]2CCCNC2)cc1B(O)O	382645680	WXOXQHYBTTUMBF-SNVBAGLBSA-N	235.092	-0.158	50	10	BBGE	
COCC1(O)CN(C[C@@H](O)CCl)C1	384000191	RWTJUDQRXXOGGH-ZETCQYMHSA-N	209.673	-0.721	50	10	BBGE	
Cn1nnnc1CN=c1[nH]nc(CCCl)o1	389346735	JAFQGBWSIZZPRZ-UHFFFAOYSA-N	243.658	-0.592	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(O)ccc1B(O)O	396024807	SAFOADDSOPKFKW-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
C[S@@](=O)Nc1ccc(Cl)cc1B(O)O	404936064	OJLDNDJUBLQNFS-CQSZACIVSA-N	233.485	-0.275	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)s1	405064929	UHHIRZNXASJFGD-SVRRBLITSA-N	239.105	-0.300	50	10	BBGE	
CCCCNC(=O)Nc1cc(B(O)O)ccn1	405175606	BJLDLTOTQXRCDI-UHFFFAOYSA-N	237.068	-0.317	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584968336	KIQOJUHFLJATAW-KCJUWKMLSA-N	249.075	-0.726	50	10	BBGE	
NNC(=O)C[S@](=O)CC(=O)c1cccs1	586379418	ZTCXWECLYKGIAO-OAHLLOKOSA-N	246.313	-0.331	50	10	BBGE	
OB(O)c1cc(Cl)cc2c1OCO2	686990606	IBCFOAOELUHHKW-UHFFFAOYSA-N	200.386	-0.252	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C[C@H](C)C(=O)NN	688154268	AIKICNCWOUXKDD-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@]12COC[C@H]1C2	689153164	GQULLQSRDTUPKT-PRHODGIISA-N	247.059	-0.659	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N2CCCCC2)C1	697751981	VUAUYIIRYQODFU-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H](O)C[C@H]1C2	710474336	DPMQLZXVMQXGEC-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)CC(=O)NN	710947741	RMCCZOLKJQBGRD-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CC(=NNC(=O)C(=O)NC(C)C)c1cn[nH]c1	794850523	JMXAKCQPKAYQSO-UHFFFAOYSA-N	237.263	-0.226	50	10	BBGE	
C[C@@H](N)[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	821980683	LJPKXFLUBDHVTQ-RKDXNWHRSA-N	225.292	-0.153	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)NNc1nnc(C)n1C	856050434	PDKYQQWGUXUUQH-SFYZADRCSA-N	239.279	-0.008	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cccnn1	867355511	DJCFSYZYICHNFL-SECBINFHSA-N	249.274	-0.069	50	10	BBGE	
CSc1nccnc1C(=O)NNC(C)=O	877960886	FUXKMMMDCJJMIR-UHFFFAOYSA-N	226.261	-0.021	50	10	BBGE	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(N)=O	1084219036	VVMZFFHDNGFTQZ-UITAMQMPSA-N	245.238	-0.057	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)[C@@H](C)CO)n[nH]1	1163322946	CYOKWECEWZISIQ-VIFPVBQESA-N	240.307	-0.005	50	10	BBGE	
CCn1cccc1C(=O)NNC(=O)c1ncon1	1179589417	ZHHIAMXBCGQPKG-UHFFFAOYSA-N	249.230	-0.034	50	10	BBGE	
CC#CCCNC(=O)NNC(=O)c1ncccn1	1226585292	UGOACFIQOHNPJD-UHFFFAOYSA-N	247.258	-0.166	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1Cc2cccnc2C1	1345490243	AXSOEHFSODSIGA-SECBINFHSA-N	219.244	-0.036	50	10	BBGE	
COC(=O)NNC(=O)[C@@H](OC)[C@H]1CCOC1	1347918473	HCVGHPZFNKTZSV-BQBZGAKWSA-N	232.236	-0.575	50	10	BBGE	
Cn1ccc(NNC(=O)[C@]2(F)CCOC2)n1	1472556128	FPCLNIYEUWUJJG-VIFPVBQESA-N	228.227	-0.008	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc(C(N)=O)[nH]1	1557203616	XWVTUUXPOMGJNO-ZCFIWIBFSA-N	240.263	-0.929	50	10	BBGE	
C=C(CO)C(=O)NNc1nc(C)cc(OC)n1	1566233822	KONUPZSWKHTXQJ-UHFFFAOYSA-N	238.247	-0.215	50	10	BBGE	
O=C(NNc1cc(Cl)ccn1)C1(O)COC1	1631569167	HZFPVZYIBMZOFM-UHFFFAOYSA-N	243.650	-0.061	50	10	BBGE	
Cc1cccc(NNC(=O)Cn2cnnn2)n1	1646177050	QQYVFMYEGYNQMF-UHFFFAOYSA-N	233.235	-0.480	50	10	BBGE	
C[C@@H](CCl)NC[C@H]1CCS(=O)(=O)N1	1881865447	INSRKCQBFJWERU-NKWVEPMBSA-N	226.729	-0.105	50	10	BBGE	
C[C@@]1(CNC(=O)NN)CSCCO1	1883971184	YNYZCUBULHBFIM-SSDOTTSWSA-N	205.283	-0.319	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1885916989	QSZOZCPRANAUDZ-QYNIQEEDSA-N	207.224	-0.253	50	10	BBGE	
COCCCCCN(C)CC(=O)NN	1891691288	QZSIZPSOAQTUIM-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
Cn1nnnc1CCNC[C@@H]1C[C@H]1Cl	1893119771	QOFUAXCLHXQRNI-NKWVEPMBSA-N	215.688	-0.031	50	10	BBGE	
COC[C@H](ON)C(=O)NC[C@@H]1C[C@H]1Cl	1893129950	ZCHKESSSQCIHFH-XVMARJQXSA-N	222.672	-0.365	50	10	BBGE	
CS(=O)(=O)CCNC(=O)C=CC(=O)Cl	1893411229	UKNAWEAZSMDREB-UHFFFAOYSA-N	239.680	-0.531	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H](C)O1	1895134917	BYOXXKZXRUZVFG-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	1896272288	QQPJHXQIRDLGFA-AATLWQCWSA-N	224.308	-0.999	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1C[C@@H]1F	1901201060	ANRYCWOHGZXHHC-WCBMZHEXSA-N	220.012	-0.240	50	10	BBGE	
CCn1cc(CN2CC[C@@H](B(O)O)C2)nn1	1902514076	VNEHSFXHIGAMJC-MRVPVSSYSA-N	224.073	-0.653	50	10	BBGE	
C[C@H]1CCCN1c1cc(B(O)O)c(F)cn1	1903005833	LJGFHCRDLZEUOO-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cc1F	1909570114	ZEMKQVBNDYGQKK-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
C[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1=O	1912220389	DXLDKGPMQJNOBF-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@@H]1C	1914253937	HJRUGZBXOZARFB-JBDRJPRFSA-N	215.297	-0.544	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC1(CO)CC1	1915530558	CVZNWUNBXFGPGR-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2C[C@H]21	1916276615	TUJDQLGPRJOJIX-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927913680	LTDXBJZQAUCZQR-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)[C@H](C)C[C@@H]1O	1930115810	KRACKIAIIQLFOC-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@H]1CN(C)C[C@H]1NS(=O)(=O)CCl	1931647711	POCDVEWVWNTONH-RNFRBKRXSA-N	242.728	-0.569	50	10	BBGE	
C[C@](O)(CO)CN1C[C@@](C)(CCl)C1=O	1931735790	FKOKLAYGIWNWNQ-RKDXNWHRSA-N	221.684	-0.183	50	10	BBGE	
OB(O)c1cnn(CC2CC3(CC3)C2)c1	1933498663	BDZJYMNMUKRERN-UHFFFAOYSA-N	206.054	-0.247	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1COCCO1	1935544795	ADYPUCVHFNDBBK-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c1	1936091922	QANGMPWVCJJNEV-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CC(=O)c1cnn(CCOCC(=O)NN)c1	1936529519	MGFGBPIWIIQUIV-UHFFFAOYSA-N	226.236	-0.908	50	10	BBGE	
COC[C@@H](OCCOCC(=O)NN)C(C)C	1936530666	BSPBUSVGTDJXQJ-SECBINFHSA-N	234.296	-0.320	50	10	BBGE	
O=C(CCn1cncn1)N[C@H]1COC[C@H]1Cl	1937146862	QQTUAVNTPAOCGP-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
N#C[C@H]1CCCN(CC2(C(=O)NN)CC2)C1	1938249868	ZQYOAOZQISYGFM-SECBINFHSA-N	222.292	-0.008	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NCC2COC2)[nH]1	1939189894	VBNLGICDDAPDGN-UHFFFAOYSA-N	243.698	-0.454	50	10	BBGE	
NNC(=O)c1cncc(CO[C@H]2CCOC2)c1	1940574319	QFDAUWHCTACGNL-JTQLQIEISA-N	237.259	-0.009	50	10	BBGE	
CCNC(=O)CN(CC)C[C@@H]1C[C@H]1C(=O)NN	1941084921	APLHEZCXOCXARI-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(OCC(F)F)C1	1941084958	AVNOOUSJTZPXBW-XPUUQOCRSA-N	249.261	-0.422	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1COC	1944295248	HRDVVSOLFCEELV-GUBZILKMSA-N	245.323	-0.794	50	10	BBGE	
CCC1(F)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	1944760511	PIRBQTOTQDGPFB-RKDXNWHRSA-N	245.298	-0.042	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)C[C@H](C)Cl	1957308764	XUDLCFMKRGHEAE-NTSWFWBYSA-N	223.656	-0.346	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CCCC(=O)NN	1958270363	RMVCNJJDZWZSGD-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@@H](C)C(=O)NN	1959806472	OZPQNDJBSJUFEI-CBAPKCEASA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CN1CCCc2cnccc21	1961455620	NMZRGLLXTGYWNZ-UHFFFAOYSA-N	206.249	-0.176	50	10	BBGE	
CN(CC1CC1)c1ncncc1B(O)O	1961689740	CONZREVMHGPFJA-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
COCCN1CCN(C(=O)[C@H](C)Cl)CC1=O	1976094434	YUAQGWHQEMOUJL-QMMMGPOBSA-N	248.710	-0.069	50	10	BBGE	
NNC(=O)CCN1CC2(CO)CCC1CC2	1984276926	RWXVILRDBLNZAR-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CC2(COC2)C1	1985557654	PSXUBTLRMDISIP-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	1987341851	USVZEUDBBSTKBS-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)[C@@H](CO)C1	1991650977	QFINCFKDARVGCU-HTQZYQBOSA-N	247.678	-0.490	50	10	BBGE	
NCC1(O)CCN(C(=O)C=CC(=O)Cl)CC1	1991656095	DOYIPHQSTPUNBR-UHFFFAOYSA-N	246.694	-0.380	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CNCC[C@H]1CO	1991716947	QIKMEWQUFJCYRE-HIQWKFPQSA-N	246.694	-0.605	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993219572	IWMRIRQTRDTCCD-YWVKMMECSA-N	227.308	-0.685	50	10	BBGE	
O=C(CC1CCC1)Nc1ncc(B(O)O)cn1	1996647759	QVNTXCDLVIYQSA-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	2001045118	FNBJLNFWXLYPNZ-USWWRNFRSA-N	241.335	-0.151	50	10	BBGE	
CON(CC(C)(C)C)c1ncncc1B(O)O	2004911002	BKLDEKIUZCERKH-UHFFFAOYSA-N	239.084	-0.430	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1C1CCC1	2004920623	LTCZKNSOOHPCHT-SNVBAGLBSA-N	233.080	-0.465	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCC12COC2	2005014801	QWVCTDARZNAZTA-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CC(C)C1CN(c2ncc(B(O)O)cc2F)C1	2005017765	JUGVJCYDCHTCKZ-UHFFFAOYSA-N	238.071	-0.007	50	10	BBGE	
C=C(CC)Cn1cnc2c(B(O)O)ncnc21	2007067226	UFHYSNCFVPMTGH-UHFFFAOYSA-N	232.052	-0.528	50	10	BBGE	
Cc1cnn(CCC(F)(F)C(=O)NN)c(=O)c1	2008865253	BBOWFQDJCWRBBX-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CO[C@@]2(CCOC2)C1	2009142873	JOIRXSCNSAXSJZ-KKZNHRDASA-N	243.307	-0.755	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1C[C@@H](C)O	2013007385	XSEDUQJJIBATQS-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CC(=O)N2CCC[C@@H]12	2014834995	VJASTAPQZWQGGH-VGMNWLOBSA-N	240.307	-0.940	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@H]2CC[C@H]21	2015989244	DNLBGOLFIHOCJT-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CO)C12CC2	2016080610	ONBBZEIKEHBZQT-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)[C@H]1C(=O)NCCN1CCC(=O)NN	2019798140	LODDBMNKRZWFPT-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CC1(CC(=O)N2CCC(O)(C#N)CC2)CNC1	2020870297	ABDOGUJGMNBSML-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CC2(C)C)ncc1B(O)O	2052558780	VLVLQRUUBXEPPU-SECBINFHSA-N	249.123	-0.053	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(F)c1B(O)O	2060091061	QMGJWKBDJUNLPM-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1cc(F)c(C#N)c(B(O)O)c1	2060167901	ACBHAGGAQZPISH-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCc2nccn2C1	2076080120	VFMNMLGVHFKNQE-VIFPVBQESA-N	249.079	-0.870	50	10	BBGE	
Cc1ncnc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c1B(O)O	2086991514	SSCABWAEQPZHGL-LNRQSERFSA-N	246.075	-0.502	50	10	BBGE	
CCOCCN(C)Cc1cc(B(O)O)cs1	2211071991	HQEKYRSQKJCCBB-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CCN(Cc1nscc1B(O)O)C1COC1	2211140495	NSTKNPGKZGSQTR-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCc2scnc21	2212078200	SSDVDQFXNWBWNE-RXMQYKEDSA-N	240.288	-0.373	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2CO)CCCC1	2212448619	PXIRYFRNAAXHEQ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CC1(C)CCC(S(=O)(=O)NCB(O)O)CC1	2212587571	IAOKGRLXSQKFFX-UHFFFAOYSA-N	249.141	-0.113	50	10	BBGE	
CC[C@](C)(O)CNc1ccc(B(O)O)cn1	2212612781	OJRHMQOZOMZFAQ-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1ncccc1B(O)O	2212615227	LUGWKAGRRDYKTL-APPZFPTMSA-N	222.053	-0.649	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@H]1CC[C@@H]1C(=O)NN	2215773257	SEBSTQJYTSODDW-BDAKNGLRSA-N	242.323	-0.978	50	10	BBGE	
CN1CC[C@@H](COC[C@H]2CC[C@H]2C(=O)NN)C1	2215773570	BRDOBVWJSCOQGM-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
COCCC(C)(C)Nc1ncc(B(O)O)cn1	2217175516	JVKDGXFRALVGQR-UHFFFAOYSA-N	239.084	-0.617	50	10	BBGE	
CC[C@](C)(CCO)Nc1cc(B(O)O)ccn1	2217175545	KIQWUISFCZVFDC-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@H](F)C2)[nH]c1	2217176909	BWBNTNLETCTCKT-CBAPKCEASA-N	239.059	-0.872	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)CC#N)cc1B(O)O	2217182557	FCAPQRKWDZOFAZ-SECBINFHSA-N	233.080	-0.192	50	10	BBGE	
CC(C)N(C)CCOc1cc(B(O)O)ccn1	2217185805	BOOSMNFHIKDZBR-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
C=CCC[C@@H](CO)Nc1ncccc1B(O)O	2217202160	INDOENDOMKBASQ-VIFPVBQESA-N	236.080	-0.500	50	10	BBGE	
C#C[C@@]1(Oc2cc(B(O)O)c(C)cn2)CCOC1	2223618753	SWAXUCSTJOMFJL-GFCCVEGCSA-N	247.059	-0.759	50	10	BBGE	
Cc1cnc(N2CC(O)(C3CC3)C2)cc1B(O)O	2223642379	IFWUYZBCRUVVHJ-UHFFFAOYSA-N	248.091	-0.969	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@@H]3CC[C@H]32)nc1	2223651562	XUNVMDSXXBSMLQ-MXWKQRLJSA-N	248.091	-0.889	50	10	BBGE	
CO[C@@H](CO)CNC(=O)[C@H](C)Br	2242436383	NWAFDRXOCCYQID-NTSWFWBYSA-N	240.097	-0.107	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1cscc1B(O)O	2243347787	PSMZHNGIXDBMOM-ZCFIWIBFSA-N	247.031	-0.435	50	10	BBGE	
O=C(Nc1ncon1)c1cscc1B(O)O	2243349051	FEKUCPRZMSVPRF-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(C#CB(O)O)NCC1(C2CC2)CCC1	2243350135	WBSADIQVEISZIQ-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2243357521	XZBWRCIKDZORRQ-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CCC1CN(C(=O)c2ccc(B(O)O)o2)C1	2243357657	ZQYSLVMHUPYWNG-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
Cc1cc(NC(=O)C2(B(O)O)CC2)n(C)n1	2243364292	UTDZUATXGYPUOI-UHFFFAOYSA-N	223.041	-0.326	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cs1)C1CC1	2243386221	WRPBUKOXSWBPRR-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243396610	OJXPMRVBURTDQV-MAUMQABQSA-N	227.069	-0.515	50	10	BBGE	
C=C(CS(=O)(=O)N(CC)CC1CC1)B(O)O	2243412791	SUGLYVBBKHYVSS-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(CCO)C1	2243416918	OHXULUOKSAUZHU-UHFFFAOYSA-N	227.069	-0.920	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1csc(B(O)O)c1	2244149441	JFVQYDRFQMWLGF-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1cocc1B(O)O	2244220906	AXXAZGAFSIHZDQ-SVGQVSJJSA-N	227.000	-0.953	50	10	BBGE	
Cc1cc(C#N)cnc1NC(=O)C#CB(O)O	2247747773	RZSMJOMXNNWORZ-UHFFFAOYSA-N	229.004	-0.784	50	10	BBGE	
CC=CCNC(=O)c1ccc(F)c(B(O)O)c1	2247761109	RAWNZGBOXPUMAF-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790408	HCFOFMDSJZGBDL-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@]2(CCCO2)C1	2247798962	YOMHOPDQUPABOB-YWVKMMECSA-N	239.080	-0.369	50	10	BBGE	
CN(CCOCC1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247800382	OKHXPLKUOPRAKO-UWVGGRQHSA-N	241.096	-0.266	50	10	BBGE	
C=C(C)CCCNC(=O)c1n[nH]cc1B(O)O	2247852848	ASJOTLCLNVKNFM-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CN(CC1=CCCOC1)C(=O)C1(B(O)O)CC1	2247854232	ZAFZBBZKLGZLKN-UHFFFAOYSA-N	239.080	-0.202	50	10	BBGE	
NCC1CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247854816	ISENZDYQTOIBOX-BMNUFHGDSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@@H]1C	2247855960	AVDFWKYBYZXSGG-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1CO	2247858166	BNRSOULFVPPWJN-HRDYMLBCSA-N	241.096	-0.531	50	10	BBGE	
O=C(N1CCC12CC(CO)C2)C1(B(O)O)CC1	2247872295	PVKLYQGTQZTBCG-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1N(C)C	2247897060	NNBGUNSNSRKZGK-ZYUZMQFOSA-N	240.112	-0.742	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897523	UHSNUSPMFRKQMD-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)[C@H]1C[C@@H](B(O)O)C1	2247902296	DVWSWMUXTKSDDQ-AEJSXWLSSA-N	239.080	-0.299	50	10	BBGE	
CN1CC2(CCN2C(=O)C2CC(B(O)O)C2)C1	2247908806	AIDKYQHFFSQPDH-UHFFFAOYSA-N	238.096	-0.844	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CN1	2247911095	SUKGTXFQRJDZKR-AFWXGSBKSA-N	240.112	-0.552	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248573856	KMQMPBUNRNFCPI-RNJXMRFFSA-N	243.068	-0.439	50	10	BBGE	
O=C1NCCCC[C@H]1N1CCC(B(O)O)CC1	2249358232	QOGDJRJTZOCBJT-SNVBAGLBSA-N	240.112	-0.406	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1cc(B(O)O)co1	2249412335	WUQUYVAXDGQDNH-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2CCC1CC2	2255468625	DKFMLPXTTMQSNZ-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1cc(B(O)O)c[nH]1	2255470038	XOXQKTXJKQJWME-SECBINFHSA-N	248.091	-0.267	50	10	BBGE	
Cc1cnc(C(=O)N(C)C2CCC2)c(B(O)O)c1	2255555706	FQUWQIVVVYDQDR-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2255674670	ZQYYPUKCHAULRN-WPRPVWTQSA-N	246.075	-0.774	50	10	BBGE	
C=CC1CCN(C(=O)c2coc(B(O)O)c2)CC1	2255727721	UTSCJWHZKWBSJZ-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@H]12	2258121817	ULVQVYIKJUDIRA-KHQFGBGNSA-N	249.075	-0.313	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H](O)[C@@H](F)C1	2300381431	VGZLPVLODWONCP-JXUBOQSCSA-N	245.298	-0.593	50	10	BBGE	
O=Cc1ccc(N2C[C@@H]3C[C@H]3C2)cc1B(O)O	2301450339	CZSWOVSMOOICII-UWVGGRQHSA-N	231.060	-0.365	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	2302211358	MYEUVHQCDVCIDS-LADJIXMOSA-N	239.319	-0.278	50	10	BBGE	
CCN(CC(=O)NC)C[C@](C)(CC)C(=O)NN	2303419462	ANHHSNJFIQLPON-NSHDSACASA-N	244.339	-0.540	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](OC)CC1=O)C(=O)NN	2303430201	ZWIQXOLGKJUSPL-GZMMTYOYSA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1cc(=NCCCC2CC2)[nH]cc1F	2303847513	KFMVOULJENGRRQ-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1O[C@H]2CC[C@H]1C2	2327545176	OUHQXTNGXRPPLA-QXEWZRGKSA-N	249.075	-0.904	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCS(=O)(=O)C1	7965702	OWFZWLSJQCAKBJ-LURJTMIESA-N	206.267	-0.986	50	10	BBGE	
Nc1nonc1C(=O)NN=Cc1ccncc1	13120026	FCCJENFMZNHMMA-UHFFFAOYSA-N	232.203	-0.189	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)CC1	82466113	SDNSOJRRFQFWJS-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](CSc1nc(N)cc(=O)[nH]1)C(=O)NN	82473197	MKOMLSDCJDKZFR-BYPYZUCNSA-N	243.292	-0.930	50	10	BBGE	
CNC(=O)[C@H]1CCCN1CC(C)(C)C(=O)NN	93728077	OIVYOQPBFURZHK-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@@H](C(=O)NN)C(C)C	110588561	AIQPKSGUNROLQY-SNVBAGLBSA-N	244.339	-0.556	50	10	BBGE	
Cc1oc(Cn2cnc(C#N)n2)cc1C(=O)NN	110603420	CCTDEGVGXILOHK-UHFFFAOYSA-N	246.230	-0.297	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)C[C@@H](C)N1C	127926478	GHCWEUOPZUPKIP-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
C[C@@H](Cc1ccc(B(O)O)cc1F)NC=O	208614728	IOHYMJRJXXFCAD-ZETCQYMHSA-N	225.028	-0.818	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](N)C1	216481162	VGJVQXPYANUBKV-HTQZYQBOSA-N	200.286	-0.822	50	10	BBGE	
COC[C@@H](Sc1ncc(C)cn1)C(=O)NN	232421601	QBQZAHDZPJSSOL-SSDOTTSWSA-N	242.304	-0.118	50	10	BBGE	
COc1nccc2cc(B(O)O)cnc12	238428785	ZFGTYNMCXDWFJT-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
OB(O)c1cc(O)ncc1C(F)(F)F	238619575	CCFYLUANIILIJD-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)[C@H](CO)C1	306199139	RDARYQNEIXMNDR-BIIVOSGPSA-N	204.657	-0.598	50	10	BBGE	
C[C@H](NC(=S)NNC(N)=O)C1CC1	306446555	SSTPPQRPRHOTMK-BYPYZUCNSA-N	202.283	-0.168	50	10	BBGE	
C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1N=C=O	307058190	LWSYIJOZZUBNBD-YUMQZZPRSA-N	218.278	-0.008	50	10	BBGE	
CC(C)[C@H]1OC[C@@H](O)/C1=N\NC(N)=O	307720496	UHZIUUZNHUYJNN-ZSUNEIMISA-N	201.226	-0.574	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)c1ccc(=O)[nH]n1	323124690	MXBCKJRADNCATB-CAHLUQPWSA-N	243.650	-0.494	50	10	BBGE	
NC(=O)NN=C1C=CC(C(=O)O)=CC1=O	389482238	HJMAFZARWFKPPW-UHFFFAOYSA-N	209.161	-0.839	50	10	BBGE	
CCOC(=O)c1ccc2oc(B(O)O)nc2c1	396117396	WQPMOWPOPXFPMR-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
CCC[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396451225	IZWVNNPZCBIRSQ-GHMZBOCLSA-N	223.081	-0.473	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H](O)CC[C@H]2C1	398878370	WPIJSGJOPKJIEE-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401525239	FGEXPHCKZROLQS-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)Nc1cc(C)ccc1B(O)O	405179168	FFJCAAQFHZNUMC-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
COC[C@H](C)CN1CC[C@H](B(O)O)C1	585076111	LCDHFSYKIILWHH-BDAKNGLRSA-N	201.075	-0.182	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H](C)C(=O)NN	688388695	UMWZPGZMDHORBJ-YUMQZZPRSA-N	203.286	-0.827	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H](CO)C1	688453105	SPVWAHNRECBDGD-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2COC[C@@H]2C1	690710677	GDVHSGQGFKHRNV-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CN1CCC2(CC1)CCN(CC(=O)NN)CC2	691898560	LWCHTROSNYFIPH-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
C[C@H](CBr)NC(=O)c1nnn(C)n1	697203258	CUGCDIVDCKXCLO-SCSAIBSYSA-N	248.084	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507668	CUPTZPLRFYNVCC-XSPKLOCKSA-N	242.323	-0.803	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CCOC[C@@H]1O	706727214	LWNBKCAJXPUWQH-WDSKDSINSA-N	229.685	-0.748	50	10	BBGE	
C[C@H]1CC(=O)NCCN1CC(C)(C)C(=O)NN	707346103	HXSVMJWJDXZKTK-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CN(C)CCN([C@H](C)CC(=O)NN)C1	707565068	QNEYHUKRGZCXLE-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C(=O)NN)C(C)(C)O1	709653279	SBFSJCQQQHDTKC-ZETCQYMHSA-N	243.307	-0.314	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC12CCN(CC1)C2	715565132	OKDMWWHFQFCZFR-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
Cn1ccnc1C=NNC(=O)C(C)(C)O	785462674	KFTFLNLYNFWUMQ-UHFFFAOYSA-N	210.237	-0.359	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@@H]1CCCS1	819666921	HWMTWNQVQNQTTG-LURJTMIESA-N	213.262	-0.057	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](O)C2CC2)n1C	856046162	YOOWHBRLJBQZRW-SSDOTTSWSA-N	225.252	-0.662	50	10	BBGE	
COCCCC(=O)NNC(=O)c1cnsn1	894288004	NNSYHZQQMZKDDG-UHFFFAOYSA-N	244.276	-0.274	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)N(C)C	900427420	KEGSTAPEDAPREG-XSIKTDMUSA-N	201.226	-0.774	50	10	BBGE	
CN(NC(=O)C1(O)COC1)c1ccccn1	1167275925	UOJHWFCRGBPBBL-UHFFFAOYSA-N	223.232	-0.690	50	10	BBGE	
CCn1cccc1C(=O)NNC(=O)CN(C)C	1306510446	XQQUVTNQELQIOW-UHFFFAOYSA-N	238.291	-0.169	50	10	BBGE	
COC[C@@H](OC)C(=O)NNc1nnc(C)n1C	1329529909	JGIIMPVOBOKAED-SSDOTTSWSA-N	243.267	-0.772	50	10	BBGE	
O=C(CO)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	1641424052	NLOPJSKVFNPUMW-BWZBUEFSSA-N	228.248	-0.916	50	10	BBGE	
CCn1nccc1C(=O)NNc1nc[nH]n1	1651059017	NOMAIASSFOCONV-UHFFFAOYSA-N	221.224	-0.222	50	10	BBGE	
CC#CCCNC(=O)NNC(=O)[C@H]1CCCO1	1686161634	MRSXQHCRFWXPGZ-SECBINFHSA-N	239.275	-0.091	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1C[C@@H](O)C1	1883627793	ZHRRZVGCCZNLRP-OLQVQODUSA-N	203.625	-0.053	50	10	BBGE	
O=C(NCC[C@@H](O)CO)[C@H]1C[C@H]1Cl	1883637859	BKKSSTPYAFXWAH-DSYKOEDSSA-N	207.657	-0.527	50	10	BBGE	
Cn1nnc(CNC(=O)F)c1C(=O)O	1887173995	UHNORRLBLJOGDI-UHFFFAOYSA-N	202.145	-0.308	50	10	BBGE	
C[C@H](CC(=O)NN)OCC1CN(C)C1	1888050486	NPHSHWSLHJOSOR-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1CCOC1	1888051358	WWJVPHHTDINNAC-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
CSCC(=O)N1CC[C@](C)(B(O)O)C1	1891517485	PBNGAPVVIVPSGM-QMMMGPOBSA-N	217.099	-0.185	50	10	BBGE	
C[C@H](CN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	1894056782	SGQDAMCJVJPONY-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
COC[C@]12C[C@H]1CN(C[C@@H](C)C(=O)NN)C2	1894669441	INJXVSVBDLCGGH-WCABBAIRSA-N	227.308	-0.419	50	10	BBGE	
C=C(COC[C@H](COC)OC)B(O)O	1895190479	FEWSBOVYNPMXCT-QMMMGPOBSA-N	204.031	-0.767	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@H](O)[C@H]1CF	1905009435	NFZWJGKEVUJNCM-BNHYGAARSA-N	225.647	-0.484	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C=CCC2)c1F	1905301581	UMXJILQWQROPGS-SSDOTTSWSA-N	223.012	-0.002	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@@H](CC1=O)C2(F)F)C(=O)NN	1912338801	IOCFBBRGCPFTQJ-QYNIQEEDSA-N	247.245	-0.274	50	10	BBGE	
N[C@H](CC(=O)NCC(Cl)Cl)C(=O)O	1913578049	WQIXMHSTVJQXQT-GSVOUGTGSA-N	229.063	-0.292	50	10	BBGE	
CC(C)[S@](C)(=O)=N[C@@H](C)C(=O)NN	1913904850	ZXOLEXILZJQXMF-IYQDAUBNSA-N	207.299	-0.129	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1914259774	NWYMSYDNOAUFNW-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(COC2)C1	1915566339	CPZRKMDHOYTCDL-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(F)(F)C1	1917242164	CNMKGQLPFJOGRR-UHFFFAOYSA-N	215.150	-0.438	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]2(CCC[C@H]2O)C1	1918421652	RFHYJRSNKKFSKB-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923440521	RBDHUPPFSBYHLI-LURJTMIESA-N	228.170	-0.143	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](F)C1	1932370912	GOIIQKMWJSETEO-GJMOJQLCSA-N	219.260	-0.719	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CC(F)(F)C(=O)NN	1935943353	CLFFNFNWTDCSES-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C[C@@H]1C[C@H]1C(=O)NN	1936092617	VYVCAKPXSHWALK-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
COCC(=O)N(C)Cc1ccc(B(O)O)s1	1939885799	YJHZVPRQUJVGPW-UHFFFAOYSA-N	243.093	-0.967	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)[C@@H]1CCS1(=O)=O	1955089151	AZJACJGSLZZAKP-XVMARJQXSA-N	237.708	-0.083	50	10	BBGE	
NNC(=O)CCN1CC2CC(F)(C2)C1	1956051817	SONJJFUPKAZHKZ-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(S(N)(=O)=O)C1	1957306361	JOBRQPAJBVQMGF-RXMQYKEDSA-N	240.712	-0.497	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1COCCC1(F)F	1957693312	IFUFJOHOOIAYRG-BYPYZUCNSA-N	223.179	-0.642	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](N2CC(O)C2)C1	1958216278	ANUPFAFWDNKLRP-JGVFFNPUSA-N	232.711	-0.109	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1960173944	OLTRVYJHXYRAGH-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	1960970126	VRSCQURSVFQANG-VGMNWLOBSA-N	212.297	-0.857	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)CCN1C1CC1	1961296302	LPDFHVQUAJEKSC-SECBINFHSA-N	232.711	-0.107	50	10	BBGE	
COCCSc1nc(C)ncc1B(O)O	1961710289	LXPRJXHVKVTFNC-UHFFFAOYSA-N	228.082	-0.797	50	10	BBGE	
C[C@H](Cl)CC(=O)N(C)[C@H]1CC(=O)NC1=O	1962374173	UDKOAESKTKTAGV-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
O=C1CC[C@H](NC(=O)C2CC(Cl)C2)C(=O)N1	1969827375	NFUQQGPRKFFLJH-AHXFUIDQSA-N	244.678	-0.075	50	10	BBGE	
NNC(=O)c1ncc(CSC2CNC2)s1	1975116625	VZYBLYRBYSIUAD-UHFFFAOYSA-N	244.345	-0.048	50	10	BBGE	
C[C@H](CCl)CN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1	1979507608	KHYYCPGDCHZKDF-PRJMDXOYSA-N	245.710	-0.840	50	10	BBGE	
OB(O)c1cccnc1N1C2CCC1CC2	1981424176	PMAKTCOYTHKPCK-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cnsc1C(=O)NN	1985742953	NLPBRHQJFBXBRB-IYSWYEEDSA-N	242.304	-0.688	50	10	BBGE	
CCOC(=O)c1nc(C2CC2)c(B(O)O)s1	1985825954	RYNIVSBDKAIVCY-UHFFFAOYSA-N	241.077	-0.123	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@H]1CF	1989260986	UWQWEGYYNCPIIK-DJLDLDEBSA-N	233.287	-0.471	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N(C[C@@H]2C[C@H]2Cl)C1=O	1991442037	KEYVWZIIRXJTDQ-KVQBGUIXSA-N	246.650	-0.293	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2OCCO[C@@H]2C1	1991701154	COJQXNSKKJPDAC-XLNBVVSQSA-N	245.662	-0.066	50	10	BBGE	
C=C(CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)B(O)O	1992160440	WIZRNRKKYNHECP-LMLFDSFASA-N	223.081	-0.336	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)C=CC(=O)Cl)[C@@H]1O	1992725542	DXBNTWYEAHVPIG-RCOVLWMOSA-N	247.678	-0.038	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1cccc(B(O)O)c1	1992837200	VRDDOXWUJUTZOF-IUCAKERBSA-N	223.012	-0.793	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1[C@H]2CC[C@H]12	1997532464	GYHFEJDUUFRNJT-YUMQZZPRSA-N	232.048	-0.644	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ocnc1C	1998720981	TZIOZWXSTNFERR-QMMMGPOBSA-N	242.279	-0.580	50	10	BBGE	
COC[C@]1(C)CC(=O)N(CCCC(=O)NN)C1	2003992402	MFAMPSASLBGAAH-LLVKDONJSA-N	243.307	-0.359	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@H]2CCCC(F)(F)[C@H]21	2004131219	AEORQVJRAAXTBS-FSDSQADBSA-N	247.245	-0.226	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@](C)(C#N)C1	2004358379	IXQHRIGKEAENLF-MWLCHTKSSA-N	240.307	-0.383	50	10	BBGE	
Cc1ccnc(OCCOC(C)C)c1B(O)O	2004934821	IULVMONDAFXLCK-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
C[C@H](O)[C@@H]1CN(CC(C)(C)C(=O)NN)CCO1	2005913035	NXUMJJNFIOHWJY-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H](OCCCN1CCOCC1)C(=O)NN	2007021178	BYUYVXIUYVBAKK-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC(n2ccnc2)C1	2011111604	FIROAMZXYHJGGX-UHFFFAOYSA-N	237.263	-0.965	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@H]1C1CC1	2019207486	BPSRFRFMLJSNPF-JTQLQIEISA-N	241.291	-0.736	50	10	BBGE	
COC[C@H]1CCCN(CC(=O)NNC(C)=O)C1	2019216065	ZNPBXMVDYCYHEG-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
O=C(C[C@@H]1CCOC1)N[C@H]1CCC=C1B(O)O	2020060509	BIPDUNKUGZZGGE-WPRPVWTQSA-N	239.080	-0.370	50	10	BBGE	
CCCn1nccc1C(=O)NCC=CB(O)O	2020067615	JKUNHQAWBJBHBO-UHFFFAOYSA-N	237.068	-0.409	50	10	BBGE	
C[C@@H]1CC(C(=O)NCC#CB(O)O)C[C@@H](C)O1	2021158918	KJDDMZQJTKXHHN-RKDXNWHRSA-N	239.080	-0.678	50	10	BBGE	
CN(C[C@H]1C[C@@]12CCCOC2)C(=O)C(=O)NN	2021195140	PTXHDNQVRTYNCC-LDYMZIIASA-N	241.291	-0.749	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(CO)C1	2021657736	XIMRPYIIPDJSHK-UMNHJUIQSA-N	241.335	-0.295	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@@H]1C[C@H]1C(=O)NN	2028050447	IBCCCVLVKYPIHT-VHSXEESVSA-N	246.270	-0.346	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cocn1	2031815402	UCIHOTJLBHPFDE-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cc(OCCn2ccnc2)cc(B(O)O)c1	2049637461	YUKQPKYASMAQSS-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CCOc1c(F)cc(C#N)cc1B(O)O	2060169126	DHNATUVOGJFNTD-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1ccc(C=O)c(B(O)O)c1[N+](=O)[O-]	2060284828	ORZOARXJEBBCTM-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
COC[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	2079009234	FRPRRGVBNASDGW-ONGXEEELSA-N	249.075	-0.869	50	10	BBGE	
Cc1cnc(O[C@H](C)CCN)cc1B(O)O	2212600543	WKUJWIWCBOCGHY-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
CCC(CC)CN=c1ncc(B(O)O)c[nH]1	2212605112	XZAZRADKTDKCSY-UHFFFAOYSA-N	223.085	-0.574	50	10	BBGE	
C=C(C)CN(C)c1nccc(B(O)O)c1F	2212606153	PJKDCJFFARVBHM-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
C#CC[C@H](C)Nc1nccc(B(O)O)c1F	2212606530	VMEOQWUZOQSOME-ZETCQYMHSA-N	222.028	-0.276	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H](C)CN1C	2216198371	IGXUEIPXNKYNJN-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C[C@H]1C[C@@H](O)C1	2216490653	GSWXNYFTMOUOMB-AOOOYVTPSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1c1ncccc1B(O)O	2217171357	AZKPSMXVPMAZLI-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCOC[C@@H]1C2	2217182600	BOCLVTCVGVKVLR-GZMMTYOYSA-N	234.064	-0.648	50	10	BBGE	
N[C@H]1CC12CC(Nc1ccc(B(O)O)cn1)C2	2217184624	VAYMEBYZPBVNGW-YUCVTWSNSA-N	233.080	-0.947	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)CO1	2217203042	OTLTYVKQYQEHRL-RKDXNWHRSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCOC1	2217205438	YYWUAFVFEVCZLY-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
O=[N+]([O-])c1ccn(Cc2cccc(B(O)O)c2)n1	2220062139	FXCLFQQQLQZWCL-UHFFFAOYSA-N	247.019	-0.481	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1Cc1cccc(B(O)O)c1	2220062676	MTRGZPCGDMQDMA-ZWNOBZJWSA-N	249.119	-0.288	50	10	BBGE	
CNC1CCC(Nc2ncccc2B(O)O)CC1	2223624864	BNPIMRHXNVEYAH-UHFFFAOYSA-N	249.123	-0.296	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@H](C2)N1c1ncccc1B(O)O	2223642073	FSXUGCRPRHVKDX-IQJOONFLSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCCN[C@H]32)cc1B(O)O	2223643329	UQLHKRRZMQOVCO-XXILOJSOSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)C3(CC3)C2)nc1	2223668649	ZKISLEUOLYNCPX-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1cnc(NC23CCC(CC2)OC3)nc1	2223668730	AFLKSZPZCJYTJP-UHFFFAOYSA-N	249.079	-0.720	50	10	BBGE	
CO[C@H](C)CNC(=O)c1cscc1B(O)O	2243347740	OWZFALCLRMLCQB-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)c1nccs1	2243349084	FRNFTUUWUAFQGL-ZETCQYMHSA-N	238.077	-0.622	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1cccnc1	2243361749	GPHQWHNFKROKBI-MRVPVSSYSA-N	218.021	-0.726	50	10	BBGE	
O=C(NCCc1cscn1)C1(B(O)O)CC1	2243365730	RDGPALDFWXBSCY-UHFFFAOYSA-N	240.093	-0.191	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(CCO)C1	2243382446	OHXULUOKSAUZHU-KYZUINATSA-N	227.069	-0.920	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243391745	NVDUMLXJYGSZFK-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC[C@H]2C[C@H]21	2243400314	YYBDIRSZKFENRP-IVZWLZJFSA-N	221.065	-0.351	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243426729	KXWTZODHVDSUFM-VGMNWLOBSA-N	228.101	-0.694	50	10	BBGE	
C=C(CS(=O)(=O)N1CC2(F)CC1C2)B(O)O	2243433787	QAULGYVZHCRISD-UHFFFAOYSA-N	249.072	-0.929	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12COC[C@H](C1)C2	2245074768	JCRUEBCSMHYBBF-CZMCAQCFSA-N	225.053	-0.903	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]12CCCC[C@H]1CC2	2245186359	HFTKDNQZFULAPX-GXSJLCMTSA-N	221.065	-0.159	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ncsc1B(O)O	2245940446	CEVADMOYXNPOPK-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1coc(B(O)O)c1	2247733752	PTKGFAMJCQITEK-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccc(B(O)O)o1	2247742503	PQCAPGLSODSMMK-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C=C(C)CNC(=O)c1nc(C)ccc1B(O)O	2247758243	UMNMZAWNBWWJTB-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
CC(C)C[C@H](CO)CNC(=O)C1(B(O)O)CC1	2247758826	XQRWTRKTCSFLDC-VIFPVBQESA-N	243.112	-0.236	50	10	BBGE	
CCCCCNC(=O)c1ncccc1B(O)O	2247772028	ZOWJEWYDXCFEKR-UHFFFAOYSA-N	236.080	-0.319	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2247788053	YQGMUQVPATUDOY-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1C(=O)C1CC(B(O)O)C1	2247790526	HWEDUJZQXVQLAP-WOOKNIGNSA-N	240.112	-0.422	50	10	BBGE	
NC1(CCCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247791084	LGYKMNODYPMJEX-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
CC[C@H](C[C@@H](C)O)NC(=O)C1CC(B(O)O)C1	2247799323	BVXLHEYQDXAZPX-SEZDTBSWSA-N	243.112	-0.095	50	10	BBGE	
CCc1cc(=NC(=O)C2CC(B(O)O)C2)[nH][nH]1	2247799815	INHRYTOKKCIBQU-UHFFFAOYSA-N	237.068	-0.415	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247800190	MCAFFAXOSJVBBO-JGVFFNPUSA-N	235.052	-0.875	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC12CC2	2247807081	HFVNZPJDLRWDSS-DJLDLDEBSA-N	239.080	-0.513	50	10	BBGE	
CCCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2247848129	HOELNAVUCFABRC-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(C1)CC21CCC1	2247851284	XRXWIDAQAONBOL-UHFFFAOYSA-N	233.076	-0.159	50	10	BBGE	
O=C(N1CC[C@H]2CNC[C@@H]21)C1(B(O)O)CCC1	2247877424	ANZISWPJHSCHIY-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CC1(C)CN[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877490	BGSPUHYBTPDIAR-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCOC1	2247896283	GCZAIAIHEMCABD-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C2(CC2)C1	2247899594	OMQYLXORHGRZLF-VGMNWLOBSA-N	238.096	-0.668	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H](C)CO)cc1B(O)O	2248441304	LCBJDHNYDJUMLA-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2248476831	WVOWUJSYQDMVAH-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
O=C1CCCN1CCN1CCC(B(O)O)CC1	2249346607	PHEDGGYWDZRATH-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2249418535	VKSVAWQUULTTNW-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249578922	XEAZXBAVXUNRBY-GBVMLCMLSA-N	241.335	-0.296	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@@H]2CC[C@H]2C1	2249984829	AHJDJKZNORZXKJ-UWVGGRQHSA-N	236.080	-0.557	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)nc1	2250001043	QWTVBEHUPVWXCZ-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1occc1B(O)O	2255487264	MMJVXBKYCZKBFW-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)cn1CCC	2255501575	CGXQQPJWHJTKGM-SECBINFHSA-N	248.091	-0.671	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2255514059	CJOZKEDUICWNFH-DTORHVGOSA-N	249.050	-0.403	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1n[nH]cc1B(O)O	2255546263	CCEQLBISZZFXPH-APPZFPTMSA-N	249.079	-0.992	50	10	BBGE	
C[C@]1(NC(=O)c2n[nH]cc2B(O)O)CC=CCC1	2255554790	RGBNLBRJVXTWAE-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
Cc1cc([C@@H]2CCCN2C(=O)C#CB(O)O)no1	2255676690	VCUQBAWTNHRMJW-JTQLQIEISA-N	248.047	-0.338	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1cc(B(O)O)n[nH]1	2255761983	OGPRREINVILOAV-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)co1)C(C)(C)C	2258125595	RXJBCUGPYBRTFK-SNVBAGLBSA-N	249.075	-0.263	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2[C@H]1CO	2298165866	CYIIWQDMZBZYBP-QUARPLMYSA-N	239.319	-0.685	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298370164	QDHUVXIOEKVXEF-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)[C@H]1C[C@H](B(O)O)C1	2298371337	IRNVHBZERUFVTB-YYKFGKGBSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377369	OCFFCWLUAIMIQC-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
NCC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377622	YCETUPUBXAIJCN-UTINFBMNSA-N	240.112	-0.517	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1S[C@H]1CC[C@@H]1O	2301341977	VBAHKXMIZKCUEK-ONGXEEELSA-N	249.100	-0.147	50	10	BBGE	
CCNC1CN(c2ccc(B(O)O)cc2C#N)C1	2317161937	GXBVIVCHESILIR-UHFFFAOYSA-N	245.091	-0.964	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@H]1CO	2317166356	UJEYKEKYSKZYGB-UWVGGRQHSA-N	246.075	-0.722	50	10	BBGE	
Cc1nc(O)c(/C=N/NC(N)=O)c(O)n1	17173563	CYAICQYSPXJCFI-XNWCZRBMSA-N	211.181	-0.802	50	10	BBGE	
NNC(=O)N1CCN(c2ncccn2)CC1	36948090	MOQBQJWHBULONH-UHFFFAOYSA-N	222.252	-0.818	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@H]1C	82467546	TVGRBXKVFNWQDE-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H]1C(N)=O	82470030	YGFNISMJEAKNLK-MRVPVSSYSA-N	228.296	-0.904	50	10	BBGE	
Cc1nnc(SC[C@H](C)C(=O)NN)n1C	82472793	MTZSUJMVYYUPGK-YFKPBYRVSA-N	229.309	-0.158	50	10	BBGE	
NNC(=O)CCSc1nnc(N)s1	82472886	ACKHGRNHWFPFCR-UHFFFAOYSA-N	219.295	-0.408	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)[C@H]3C[C@H]3C2=O)c1	85417330	YNCIUHRAXWLFOM-OCAPTIKFSA-N	249.226	-0.612	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214680	XIRGXFHXEAOPJK-MRTMQBJTSA-N	227.308	-0.257	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125793681	HJIWVFPWSMZCCW-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H](O)CCl)C1=O	157830115	SEQONSXOGYYJGP-RITPCOANSA-N	205.641	-0.019	50	10	BBGE	
NC(=O)NCCNC(=O)CCBr	168514694	IPDDZQHFWKLBAC-UHFFFAOYSA-N	238.085	-0.444	50	10	BBGE	
CSCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O	195924589	BUEHSRAPGRHWJS-YUMQZZPRSA-N	246.141	-0.930	50	10	BBGE	
CCOC(CCn1nccc1B(O)O)OCC	196019122	RJFMXDJOXIDLBJ-UHFFFAOYSA-N	242.084	-0.648	50	10	BBGE	
COC[C@@H](C(=O)O)c1cccc(B(O)O)c1	204570209	OVCUKYBDENUXEH-SECBINFHSA-N	224.021	-0.819	50	10	BBGE	
CC[C@H](O)[C@](N)(CCCCB(O)O)C(=O)O	218631529	FGSQEVXVYSPNEA-IONNQARKSA-N	233.073	-0.818	50	10	BBGE	
CCCCOCCO[C@@H](COC)C(=O)NN	232417922	XIMHCOMPZLSRKQ-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H]1C	232420811	XAUBYSLXMNYTPW-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](OC)C1	232420905	HBTNFJDUUASXIJ-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
Cc1cnc(CNC(=O)C(=O)NN)s1	235803941	IROAYODVLFGDER-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
NNC(=O)COc1ccccc1CCO	236240010	NJRZDTHRWWCPDS-UHFFFAOYSA-N	210.233	-0.410	50	10	BBGE	
COc1ccc2c(B(O)O)cccc2n1	238366444	SWFIHCYSDYOXHP-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCCC1=NNC(N)=O	252661235	VFSHKRSQTKQRKK-ZCFIWIBFSA-N	219.266	-0.392	50	10	BBGE	
CNNC(=O)[C@@H](N)c1ccc2c(c1)CCO2	259085949	OQJBKLGWKPIRDG-JTQLQIEISA-N	221.260	-0.128	50	10	BBGE	
O=C1N[C@@H](C(=O)NNC(=O)C2CCC2)CS1	266802647	DGMJRHHUTJUALX-ZCFIWIBFSA-N	243.288	-0.241	50	10	BBGE	
COCc1ccc(NC(=O)C(=O)NN)cc1	300820992	ATLRXJFYGFBDJC-UHFFFAOYSA-N	223.232	-0.239	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CC[C@H]1O	304518008	GREUTTRSSJQHBI-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCCN1CCC(=O)NN	304544161	LHUVIIZGGKKGKW-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
Cn1nnc(Cn2cnnc2CCl)n1	307540018	QULXRWGYHCACNT-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NCCF)[nH]1	379484890	ADKGIHIWDRWVDH-UHFFFAOYSA-N	219.651	-0.131	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)N[C@@H]1CCO[C@@H]1C	382295305	LZTDJEIQVLPPNI-ZXFLCMHBSA-N	229.280	-0.691	50	10	BBGE	
CCCN(CC(F)F)[C@H](COC)C(=O)NN	387331767	UBBRRLPQTJPYHY-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
CCNC(=S)NNC(=O)CCOC	388256818	BRXKDPRAFHUCAD-UHFFFAOYSA-N	205.283	-0.462	50	10	BBGE	
Cc1nocc1C(=O)NNC(N)=S	402509999	QPRHDKWMXMVPHL-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
CC(C)[S@](=O)Nc1cc(B(O)O)ccn1	404839099	ZENXJLMKVGUNQV-HNNXBMFYSA-N	228.082	-0.755	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1cc[nH]n1	404962139	DBWFFZZJFFAMDI-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccc[nH]1	405041448	XSBRMYDVMKHKLY-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](CO)C(C)(C)C	689332839	GTGQQZTZFAGSTD-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cnn(CCN2CCCCC2)c1	694501651	RMZYHFIOIWDOPH-UHFFFAOYSA-N	223.085	-0.951	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(COC2)C1	697133457	ODDROJWWTGEJNJ-SFYZADRCSA-N	213.281	-0.667	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)OCCl	703061510	ZHEYUYOKFDWAIW-SCSAIBSYSA-N	211.601	-0.557	50	10	BBGE	
CSC[C@H]1CCN(CC(=O)NN)C1	706633797	OCFATIAZOVHBGD-ZETCQYMHSA-N	203.311	-0.339	50	10	BBGE	
[O][S+]1(=O)CC(C[n+]2cc(CCl)[nH]n2)C1	725700614	RJWBHZJTYJDAQB-UHFFFAOYSA-O	236.704	-0.089	50	10	BBGE	
CCC(Cn1cncn1)=NNC(=O)CO	794527346	YFFFGBFLRADFCD-UHFFFAOYSA-N	211.225	-0.847	50	10	BBGE	
COC(=O)[C@@H]1CCCC(=NNC(=O)C(N)=O)C1	794858392	HUKLLIQVKICVAA-ZCFIWIBFSA-N	241.247	-0.693	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](O)C1CCC1	1442127024	BMBWBMBLVVBOSH-LURJTMIESA-N	201.226	-0.892	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CC[C@H]1C(=O)OC	1467956459	DASDHPHNJATACL-DTWKUNHWSA-N	244.291	-0.205	50	10	BBGE	
CN(NC(=O)c1ccc(CO)nc1)C(N)=O	1545887333	BJYRONJPIIFPOF-UHFFFAOYSA-N	224.220	-0.771	50	10	BBGE	
CC(=O)NNC(=O)c1cnc2c[nH]nc2c1	1624651434	DTEMRVNZVHDIEX-UHFFFAOYSA-N	219.204	-0.261	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)c1ccon1	1634273383	IFRKDKYNIDMLQL-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
CNNC(=O)COCCNC(=O)OC(C)(C)C	1880024651	UTWWJBVTPWCOKO-UHFFFAOYSA-N	247.295	-0.222	50	10	BBGE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NN)C[C@H](O)C1	1880072017	LASJWRBBFGTZAT-XGAOUMNUSA-N	245.279	-0.606	50	10	BBGE	
NCC1(O)CN(C[C@H]2C[C@H]2Br)C1	1881362805	MUXXIEFVLYMHGD-RNFRBKRXSA-N	235.125	-0.225	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@H](O)CCl	1882774947	FKTWMCIBKUKZBQ-XHNCKOQMSA-N	204.701	-0.026	50	10	BBGE	
NC(=O)C1(CNS(=O)(=O)CCCl)CC1	1884916438	NVPCZJAMKRLBSB-UHFFFAOYSA-N	240.712	-0.590	50	10	BBGE	
CCC[S@@](=O)N1CC[C@H](B(O)O)C1	1891606816	JHYKQXFCXJAZHJ-WPPNPWJKSA-N	205.088	-0.391	50	10	BBGE	
NNC(=O)NCC1(Cl)CCOCC1	1893728883	BAVBJOBHMZAUBW-UHFFFAOYSA-N	207.661	-0.053	50	10	BBGE	
O=C(CCl)N1CC[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1897085842	OBTBNKNRUIDJGZ-HMJBSVBGSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1927914214	RQQAKDDEZOUQKM-YIZRAAEISA-N	215.297	-0.827	50	10	BBGE	
C[C@H](Cl)CNC(=O)CCn1cnnn1	1928688774	MDDWIYJDFXTBDO-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	1929837083	UMRGVKIGHMAOAE-RXKWGBCNSA-N	210.277	-0.108	50	10	BBGE	
CON(C)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	1936110830	SKADYTPRRIUWAF-HTQZYQBOSA-N	230.312	-0.822	50	10	BBGE	
Cn1nc(C(=O)NCB(O)O)cc1C(F)F	1936178155	WFBJYCQRAZQRJF-UHFFFAOYSA-N	232.983	-0.901	50	10	BBGE	
CC1(C)COCCN1CCOCC(=O)NN	1936534800	MFXBSTDYKGOCQU-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CCCN(CCOC)CCOCC(=O)NN	1939255810	INEPUAVTOTUPSP-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
COCCCOCCOC[C@H]1C[C@H]1C(=O)NN	1941086363	QVYXBMFWZLJPAZ-NXEZZACHSA-N	246.307	-0.318	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@@H]2OCC[C@@H]2C1	1941086541	JIRWXUGPBGIDJD-ZNSHCXBVSA-N	239.319	-0.277	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@H]1CCCN1C	1941090003	YDOAEVKCISPKQN-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
Cc1nc(C#N)n(CCOCC(=O)NN)c1C	1941773077	RVQJWXUFXLNFFW-UHFFFAOYSA-N	237.263	-0.622	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1943089431	NFQOSIDSNLGVMU-FBIMIBRVSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	1944568394	FKJOARNSNGMPCW-ZKKRXERASA-N	241.335	-0.296	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(CCCCC(=O)NN)C2=O	1946986542	BIFGWKGMIURCMH-CPCISQLKSA-N	239.275	-0.458	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@@H]1C	1947052843	UUCVOAIYFYIGLO-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
CC(C)(C)OC1CCN(C(=O)C(=O)NN)CC1	1948357080	DYIZQHSODJIVEB-UHFFFAOYSA-N	243.307	-0.218	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H](O)C[C@@H]1O	1954819843	XYIYFUUBRRYMTE-UCROKIRRSA-N	207.657	-0.386	50	10	BBGE	
C[C@@H](CN1CC(=O)OC(=O)C1)N1CCC1	1958397606	IFRQHIKRCIEODT-QMMMGPOBSA-N	212.249	-0.534	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccon1	1958699256	JWSLPFPSBJAEIF-QMMMGPOBSA-N	212.253	-0.125	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CCO[C@@H]1C(N)=O	1962122131	WHLKCRXBGKBCGR-ACZMJKKPSA-N	234.683	-0.237	50	10	BBGE	
CCO[C@@H]1CC[C@H](C(=O)NCB(O)O)C1	1962367406	NBJQFLXZADXZBW-JGVFFNPUSA-N	215.058	-0.680	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1974541923	VBQSUUGARWOXCG-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
COC[C@H](OC1CC(CF)C1)C(=O)NN	1974613302	NVNUZANGYAXMLO-RRQHEKLDSA-N	220.244	-0.244	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CC[C@@H](O)CC1	1976629425	NQIKELALJGGCEQ-AOOOYVTPSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]1CN(C)C	1976934505	SPYWGHXQAFUTBC-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnn(C)c1Cl	1979280433	CQHNUSVUXYBBMA-UHFFFAOYSA-N	245.714	-0.115	50	10	BBGE	
C[C@H](CN1CCN(C)[C@H]2CC[C@@H]21)C(=O)NN	1980229390	RWRRMEIIGAVFMR-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
Cc1nc(N(C)CC(C)C)ncc1B(O)O	1981447056	ICZMNRZXSOCYTQ-UHFFFAOYSA-N	223.085	-0.443	50	10	BBGE	
CN(C)c1ccnc2cc(B(O)O)cnc12	1981468574	FACVGCGBMYBGHJ-UHFFFAOYSA-N	217.037	-0.624	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)COC2	1983764937	CEWWCLPIGXELOI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)OCCl)C[C@@H]2N1	1986842489	WKMDJAOBQSDYAH-NKWVEPMBSA-N	248.666	-0.091	50	10	BBGE	
C[C@H](F)CN1CCN([C@H](C)C(=O)NN)CC1	1988564482	KYEXOUQIMDIBHV-DTWKUNHWSA-N	232.303	-0.660	50	10	BBGE	
CC(=O)NNC(=O)CN1CC=CC12CCC2	1990773976	CHHPKAWEFLWVME-UHFFFAOYSA-N	223.276	-0.052	50	10	BBGE	
CN1CCOC[C@@H]1CNC(=O)C=CC(=O)Cl	1991650047	KPAPLUYONXIPHP-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
C=C(CN1CCN2C[C@H](C)C[C@H]2C1)B(O)O	1992153916	SXIIWMBZJWDDAU-KOLCDFICSA-N	224.113	-0.419	50	10	BBGE	
C[C@@H]1CCC[C@H](C(=O)NCC#CB(O)O)C1	1992167355	ITWOBWXVTPXGAY-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
CC[C@@H](C(=O)N[C@H](CB(O)O)C(=O)O)C(C)C	1998136106	XHUWCZUZZRBESJ-HTQZYQBOSA-N	245.084	-0.289	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC1(C)C	2004916741	PGJHZVFETRSXBA-SECBINFHSA-N	235.096	-0.219	50	10	BBGE	
CC[C@H]1CCCN1c1ncc(B(O)O)c(C)n1	2004974861	QDTFQFFXUDWMPZ-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H](C)C2CC2)n1	2005014243	IVEAQNRKMGGKAG-ZETCQYMHSA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1cnc(N2CCC(F)(F)C2)c(F)c1	2005016659	SPHCDIVMHAQEOQ-UHFFFAOYSA-N	245.997	-0.254	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)C2(CCCCC2)C1	2006029361	GGFNTDLBQYOPNZ-QMMMGPOBSA-N	241.291	-0.870	50	10	BBGE	
CCO[C@H](C)n1cnc2c(B(O)O)ncnc21	2007069065	YAUMAKFWGRQFQN-ZCFIWIBFSA-N	236.040	-0.939	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)CC(C)(C)C(=O)NN	2008155075	GSWKHGSORRYVBJ-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](CCOc1ncccc1B(O)O)N(C)C	2008232544	DVUISEFCXITQNL-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
CC1(O)CC2(CN(CCCCC(=O)NN)C2)C1	2011900904	POIFFFRSXSUDPN-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CN1CCC[C@]2(CC[C@@H]2O)C1)C(=O)NN	2013329971	RGBTYCSSZWKMFQ-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
CCN(C)CCCn1nc(C)c(B(O)O)c1C	2013450084	XLQXWMUJMYHVPV-UHFFFAOYSA-N	239.128	-0.478	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1COCCOC1	2014499695	CSHPYFDHDQRTEI-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H]1CC[C@@H](C(=O)NCC#CB(O)O)C1	2021112914	DNQGMHWTHIYPJM-NXEZZACHSA-N	239.080	-0.819	50	10	BBGE	
NNC(=O)[C@H](CN1CC(CO)C1)c1ccccc1	2031671875	HVBKTPNHSXQXLB-GFCCVEGCSA-N	249.314	-0.316	50	10	BBGE	
OB(O)c1cncnc1N1CCCC2(CC1)CC2	2052468871	JOPUIVPHZBXVEG-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2[C@@H](C)[C@H]2C)c1B(O)O	2052558312	UGVUJIOGBUDEBN-MBTKJCJQSA-N	249.123	-0.197	50	10	BBGE	
Cc1cc(-n2cnc(C3CC3)n2)ncc1B(O)O	2052601497	AFSRQHLMIICBJG-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
CCCOc1cnn(-c2ncncc2B(O)O)c1	2052603802	SCOXXFZVIGZDIU-UHFFFAOYSA-N	248.051	-0.869	50	10	BBGE	
CCc1cc(B(O)O)cc(C=O)c1[N+](=O)[O-]	2060035551	LUTBTKUXZXDJHH-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1ccc(B(O)O)c(OC)c1OC(F)F	2060176028	BZIUTMWLOYCTPV-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCn2ccnc2)n1	2064611506	IXVZKASQGGSKPO-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1nc(N2C[C@H]3[C@@H](C)C[C@H]3C2)ncc1B(O)O	2085518084	BQHMOKHCRQLFBF-HGNGGELXSA-N	247.107	-0.443	50	10	BBGE	
COCCCN(C)Cc1cc(B(O)O)cs1	2211072035	HYBPMLVWKJEFGL-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@H](C1)O2	2211839039	PCNCGCSPRKPOKT-QEYWKRMJSA-N	225.292	-0.524	50	10	BBGE	
C[C@]1(O)CON(CC2(C(=O)NN)CCC2)C1	2212250760	UXGWISPRAHCQOC-SECBINFHSA-N	229.280	-0.855	50	10	BBGE	
OB(O)c1ccnc(Sc2cccnn2)c1	2212599309	GXRLCIAHEWTSGP-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3C[C@@H]32)c1	2212607201	HQQQIUMDYGXANU-UJNFCWOMSA-N	219.049	-0.061	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213026155	CXVKTKQPZJYNMD-FXQIFTODSA-N	249.261	-0.686	50	10	BBGE	
CN(C)C1(C)CN(CC2(C(=O)NN)CCC2)C1	2216492382	MFNYOFAVJWFYKE-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1c1ncccc1B(O)O	2217178318	ULDQOHCNOGMZAO-BDAKNGLRSA-N	236.080	-0.889	50	10	BBGE	
Cc1cnc(N2CC(C(F)F)C2)cc1B(O)O	2217180149	FQIKGZAWNZHGKF-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
CCN(C[C@@H](C)C#N)c1ccc(B(O)O)cn1	2217180235	RIVONOQRYASRMP-VIFPVBQESA-N	233.080	-0.253	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@@H]3C2)cc1B(O)O	2217180767	VRJSVCBHPNCRER-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Oc1ccc(B(O)O)cn1	2217184170	NSRLECIIHFZDHK-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
Nc1ccc(CNc2ncccc2B(O)O)cc1	2223633862	CAKVCEFDMQTFMO-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
OB(O)c1ccnc(NCc2ccccn2)c1F	2223643269	UAJOAGPOPMQWBI-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)n(C)n1	2223650295	KZABNLJSEQLRAD-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CC[C@H]2NC3)c1	2223672033	RLLXZVFETWLDPS-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1(CN)CCCC1	2223674037	IVFJQWZXSFGREQ-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]1CF	2241496072	PAFFSZYGFBHMFK-QYNIQEEDSA-N	201.006	-0.580	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2242762731	XGEBJTWFLTTYPC-HRDYMLBCSA-N	249.694	-0.398	50	10	BBGE	
CC[C@H](Cl)C(=O)n1c(O)cc(=O)n(C)c1=O	2243048512	MSLAXCFFJIMUOD-YFKPBYRVSA-N	246.650	-0.090	50	10	BBGE	
O=C(C#CB(O)O)NC1CC[C@@H]2C[C@H]2CC1	2243349586	NLQRACQZFULXSM-RKDXNWHRSA-N	221.065	-0.303	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CCC1	2243367437	SSFMRDMNIGFMIN-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
C#CCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243395986	FRVCZIKODNLFND-UWVGGRQHSA-N	221.065	-0.136	50	10	BBGE	
CCCN(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396207	JCJHTRJKPNMHRJ-KYZUINATSA-N	229.085	-0.530	50	10	BBGE	
CO[C@H](CNC(=O)C1(B(O)O)CC1)C1CC1	2243398160	NNWODAQBNMFUOF-MRVPVSSYSA-N	227.069	-0.465	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)o1	2243401647	VDCLAVRJIQRFSQ-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)co1)C1CC1	2244206113	RRGQCZKLJKEKMH-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CN=c1cc(C(=O)NN(C)C)cc(OC)[nH]1	2246061993	SEPQKTBPCUJHPH-UHFFFAOYSA-N	224.264	-0.240	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1cccc(B(O)O)n1	2246745358	WKFDISQYKXGXEL-ZETCQYMHSA-N	235.052	-0.613	50	10	BBGE	
CC1CN(C(=O)Nc2cc(B(O)O)ccn2)C1	2246762927	QTGPSDWLWQELFE-UHFFFAOYSA-N	235.052	-0.755	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2247737293	FNHNRJBUJRUWNR-SSDOTTSWSA-N	237.064	-0.038	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cnoc1	2247737482	HECGMKXXXNCLCC-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2247740636	NKVCISXANUXGTR-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)c[nH]2)C=CCC1	2247747010	HWINRTQBLBUUOE-LLVKDONJSA-N	234.064	-0.467	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2247751111	STRVFKYENBBJTO-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(C)c(B(O)O)c1	2247751945	FULREONCGFZTGM-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
O=C(NC[C@@H](F)C1CNC1)C1(B(O)O)CCC1	2247758410	VEEQXGXFYAYREZ-MRVPVSSYSA-N	244.075	-0.943	50	10	BBGE	
CC[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCN1	2247796824	CZBJWHRYCXSCHH-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1O	2247797682	MBCMVRCVSXBZLK-RYPBNFRJSA-N	241.096	-0.628	50	10	BBGE	
CCOC1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247801019	WCHUQKIVZAPRDZ-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2247801060	WLXWJPWOCNZJMH-ZOZBQHSOSA-N	241.096	-0.079	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2247846195	BOWNUCWNJWRBDD-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247853924	UREHOOHSTARJGM-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
O=C(NCCC[C@@H]1CCOC1)C1(B(O)O)CC1	2247855087	NBMAVAGRSOHDMC-SECBINFHSA-N	241.096	-0.074	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1C[C@H]2O)C1(B(O)O)CCC1	2247876312	MWZQTRCGLIRUTK-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
Cc1oncc1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247895781	VIOMOKMYAGTNQN-DTWKUNHWSA-N	238.052	-0.495	50	10	BBGE	
O=C(NCCc1ccccn1)[C@@H]1C[C@@H]1B(O)O	2247896823	KUVAGYLQLLEMAN-ZJUUUORDSA-N	234.064	-0.397	50	10	BBGE	
NCCC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247899166	LAOLOVBSNKBDPH-ZJUUUORDSA-N	240.112	-0.563	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247899634	OYOSERVIAWFKOG-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
O=C(NCC(F)F)Nc1ccc(B(O)O)cc1	2247971055	BJIHUUSNBSILEM-UHFFFAOYSA-N	244.006	-0.247	50	10	BBGE	
C[C@@H](NC(=O)C(F)F)c1ccc(B(O)O)cc1	2248416592	VZQMDFFRKROUAG-ZCFIWIBFSA-N	243.018	-0.191	50	10	BBGE	
CC(C)(F)C(=O)NCc1ccccc1B(O)O	2248420277	QWZBPCIHDSFTDM-UHFFFAOYSA-N	239.055	-0.269	50	10	BBGE	
C=CCC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248577349	JWUICAQQKBFDJH-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588395	CGFRNVVMLGRXAE-PHDIDXHHSA-N	247.031	-0.689	50	10	BBGE	
O=C(NCCCC1(O)CC1)C1(B(O)O)CCC1	2249267626	WBALYZAVOFISTL-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1cocc1B(O)O	2249419473	HRWKDOAZAGGYLD-JIGDXULJSA-N	235.048	-0.655	50	10	BBGE	
CCn1cc(N2CC(=O)OC(=O)C2)c(OC)n1	2250091371	QOKXSCHBJCUNFD-UHFFFAOYSA-N	239.231	-0.199	50	10	BBGE	
CCCn1cnnc1NC(=O)C1(B(O)O)CC1	2250325268	UNIBNSGTMUDJKB-UHFFFAOYSA-N	238.056	-0.366	50	10	BBGE	
O=C(NCC1=CCCC1)c1ccncc1B(O)O	2255448730	GVWXGSUEZJZGGX-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
O=C(NCc1cc(C2CC2)n[nH]1)C1(B(O)O)CC1	2255482494	VRQBRLVOFIRHJK-UHFFFAOYSA-N	249.079	-0.090	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(B(O)O)cn1	2255518444	KTJYCUAPOFWDIG-RKDXNWHRSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@@H]2CCC[C@H]21	2255518841	PLCIXVYXHPQYBM-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]nc1B(O)O	2255551563	ZIAIDMJPQCTMAU-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
Cc1cnc(C(=O)N2CCC[C@@H]2C)c(B(O)O)c1	2255556641	SDQUGQPKHHDBCU-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ncc(C)cc1B(O)O	2255559570	WYSJOVSJEYGAJW-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
C=C1CC(NC(=O)c2c(B(O)O)cnn2CC)C1	2255586755	NTTNWTIQZRXRGC-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255710032	FKWLKNQNVFDPFN-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1ccc(B(O)O)cc1	2255713487	BLWCHGGENASRKQ-QMMMGPOBSA-N	247.059	-0.483	50	10	BBGE	
CCN(C(=O)c1nc(C)ccc1B(O)O)C1CC1	2255725816	QDCVOOMXMMZQGA-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(NCC1CC=CC1)c1ccncc1B(O)O	2255731191	BMLSQGZALVZRBG-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)ccc1C	2255735277	QHWUUHSORRJNFA-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
C#CC[C@H](C)NC(=O)Nc1cccc(B(O)O)c1	2255917911	MHCBCZYUYJIFKH-VIFPVBQESA-N	246.075	-0.100	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1O)C1CCC1	2255951324	CRUJAABKSKSBMS-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1nccnc1B(O)O	2256055577	UKZHMSFOSNONDX-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
O=C(C=Cc1ccc(O)cc1)NCC#CB(O)O	2256636869	PXADQOOTOIXUPT-UHFFFAOYSA-N	245.043	-0.463	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2298166007	MIRGZDUKMJCLCP-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369342	RGUURIYXTIFBOG-JXUBOQSCSA-N	240.112	-0.646	50	10	BBGE	
CN(C[C@@H]1OCC[C@H]1F)C(=O)[C@@H]1C[C@H]1B(O)O	2298370379	XODRLKFXLUBCGR-BGZDPUMWSA-N	245.059	-0.565	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1[C@@](C)(O)C2)C(=O)NN	2301479033	MYJMMMZJZBVOPK-AUTRQRHGSA-N	241.335	-0.152	50	10	BBGE	
O=C(CN1CCCCC1)N1CC[C@@H](B(O)O)C1	2303115731	WPIJXCOQDGQTHR-SNVBAGLBSA-N	240.112	-0.452	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H](C1)[C@@H]2O)C(=O)NN	2303425441	CIFDTBBEORVAIK-XNDJQWLSSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303861177	NENPLLGKLMHJOU-RCOVLWMOSA-N	241.027	-0.686	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1CC[C@@H]2C[C@H]12	2308668029	HYZOYTPFDBYWFB-YEPSODPASA-N	247.063	-0.859	50	10	BBGE	
CNCC[C@H](C)Oc1ccc(B(O)O)cc1C#N	2317160601	GBNFHXYZFLUPJZ-VIFPVBQESA-N	248.091	-0.385	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H](CN)C1CC1	2317168502	VMSWSNAXANQVNQ-LBPRGKRZSA-N	245.091	-0.613	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1(C)COC1	2317312300	FAMNGRJOXVOAKS-UHFFFAOYSA-N	249.075	-0.596	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccc(F)cc1	34977757	JRFLRHKCFYKINB-UHFFFAOYSA-N	225.223	-0.526	50	10	BBGE	
CCC[C@H](OCCOCCOC)C(=O)NN	125984657	NOSYFGMGHTUIKC-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1ncnn1C	128059366	OUWAFRMLEURPPC-YFKPBYRVSA-N	215.282	-0.324	50	10	BBGE	
CN(C)NC(=O)c1cncc(C#CCO)c1	149830512	OOKXWCMJXUKDJP-UHFFFAOYSA-N	219.244	-0.368	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@](C)(O)C1	157537860	VJCJYNYLTOEUQK-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
O=C(O)[C@]1(O)C=C(Cl)[C@@H](O)[C@@H]1Cl	197480093	CZIFEXXXNORKKJ-IWGUZYHVSA-N	213.016	-0.093	50	10	BBGE	
NC(=O)C(=O)NN=Cc1ccc2c(c1)OCO2	254838462	OGRDZKGHZJHMHY-UHFFFAOYSA-N	235.199	-0.649	50	10	BBGE	
NNC(=O)[C@@H]1NC(=O)C[C@@H]1C(F)(F)F	306603759	DODNSNRKPULMQY-ZAFYKAAXSA-N	211.143	-0.957	50	10	BBGE	
Nc1cc(N)c2sc(B(O)O)cc2c1	306937602	LNTHZEHBVRHZEN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CN1C[C@@H](NC(=O)CBr)CC1=O	307028821	LHGGLWNMPNBCSI-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
NNc1ccc(B(O)O)c(C(F)F)c1	307432539	MWHODOISNSRQDV-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
NC[C@@H](CC(N)=O)N1CCSSCC1	308680342	XJKWCGWIUYMQKI-SSDOTTSWSA-N	235.378	-0.114	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)Sc1nnc(N)[nH]1	309260256	HTKKIHGXMKWGFE-VKHMYHEASA-N	244.280	-0.965	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C(F)F)C1CC1	309644731	VROIIUOHXCZZRU-MRVPVSSYSA-N	235.234	-0.213	50	10	BBGE	
NC(=O)NN=Cc1cccc(C(N)=S)n1	393784845	CIOXWXZUVMTNRB-UHFFFAOYSA-N	223.261	-0.282	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@H]1CO	395804441	HOKWAOAJOZZPSS-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
O=C(CCCl)c1cc(CO)cc(B(O)O)c1	396037546	FLAAAXCHUDLQEW-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
NNc1cccc(B(O)O)c1OC(F)F	396093987	DHLYMFGFFMQGIQ-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
O=CCCc1cccc(/C=C\C(=O)O)c1B(O)O	396134480	UVGSLJYSXLRMLJ-SREVYHEPSA-N	248.043	-0.404	50	10	BBGE	
OCc1cc(O)cc2scc(B(O)O)c12	396333380	BBDPPSKGNKFFNS-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CCCC(=O)NN)C1	401698184	LMBCJHUYIDNTFI-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CO[C@@]1(CO)CCN([C@H](C)CCC(=O)NN)C1	402609240	OIKAOASBSJTXOK-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CCC[S@@](=O)CC(=O)NNC(C)=O	526866021	HDELHNJUMNOXBQ-CYBMUJFWSA-N	206.267	-0.688	50	10	BBGE	
O=C1CN(CC2CSC2)CC(=O)O1	606275550	FSKRYHDJKIAFEP-UHFFFAOYSA-N	201.247	-0.265	50	10	BBGE	
CC(C)N(CCN(C)C)CC(=O)NN	688926549	MYXQMRNSTMDKNP-UHFFFAOYSA-N	202.302	-0.752	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](C#N)C1	693986075	KZTCTOVXOKBCQZ-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
CC[C@H](OC[C@H](COC)OC)C(=O)NN	695709774	LIEXPLJGILXFNN-YUMQZZPRSA-N	220.269	-0.567	50	10	BBGE	
Cc1nc(CN(C)C(=O)C(=O)NN)sc1C	697460924	BOVANXLPSVVMKG-UHFFFAOYSA-N	242.304	-0.292	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccnc1[N+](=O)[O-]	702734046	XDHUJAYQZAOSQT-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
CNNC(=O)[C@H](CC(C)C)NS(C)(=O)=O	704645368	SVPMLFITOUJIME-ZETCQYMHSA-N	237.325	-0.799	50	10	BBGE	
N#CC1(O)CCN(CCCC(=O)NN)CC1	709390083	JZOZWXUSAOBPTJ-UHFFFAOYSA-N	226.280	-0.893	50	10	BBGE	
O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)c1cnn[nH]1	748849371	KULHAXNKNZRCCJ-PHDIDXHHSA-N	235.247	-0.388	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn(C)nn1	809670452	MSMLIOXBZGSOMY-PHDIDXHHSA-N	223.236	-0.768	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862460141	GDFLBQDAPVMJDF-UAPHAKCISA-N	239.275	-0.231	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)C(=O)NCC	907253287	SGFDKYFWUSBDGF-KNIZRNDPSA-N	215.253	-0.384	50	10	BBGE	
CCC1(CC(=O)NNC(=O)NC)COC1	930586475	NWKXSLOESZLVBZ-UHFFFAOYSA-N	215.253	-0.237	50	10	BBGE	
Cn1nccc1[C@H](O)CNC(=O)CCl	1119617142	JPSZRQSPOYVEAX-SSDOTTSWSA-N	217.656	-0.192	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1[C@H]2COC[C@H]21	1260937007	ZHBCBSWJPNEUHB-FMCRUOTFSA-N	211.670	-0.253	50	10	BBGE	
CCc1c(C(=O)NNC(=O)CO)cnn1CC	1306820404	LMJAQXOLPVJPIP-UHFFFAOYSA-N	240.263	-0.781	50	10	BBGE	
CCO[C@@H](C(=O)NN(C)C(N)=O)[C@H]1CCOC1	1329768736	WKEOORPVBMCAEP-JGVFFNPUSA-N	245.279	-0.530	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1C[C@@H]1F	1347008897	IUYJLKVOJUKHJD-DSYKOEDSSA-N	216.212	-0.329	50	10	BBGE	
O=C(NNC(=O)c1cc(=O)cc[nH]1)c1ccc[nH]1	1463735309	CKZUDWIIXBDETF-UHFFFAOYSA-N	246.226	-0.222	50	10	BBGE	
CC#CC(=O)NCCSS(C)(=O)=O	1558071388	IKORTWMEWDNHSF-UHFFFAOYSA-N	221.303	-0.181	50	10	BBGE	
COC(=O)NNC(=O)[C@@]1(C#N)CCCOC1	1558900454	QOECVPVUHFYPPY-SECBINFHSA-N	227.220	-0.306	50	10	BBGE	
Cc1ncc(C(=O)NN(C)[C@@H](C)CO)c(N)n1	1627565322	HLDNBCNWWCKICY-LURJTMIESA-N	239.279	-0.675	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNc1cccnn1	1631347264	ODMFAXWDAYOBTE-SSDOTTSWSA-N	236.231	-0.127	50	10	BBGE	
CCc1ncncc1C(=O)NNc1cnnn1C	1648816241	MSIGXNFDPDIZEH-UHFFFAOYSA-N	247.262	-0.076	50	10	BBGE	
CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1880030892	PVHBNCIGHOKNPL-RNFRBKRXSA-N	247.295	-0.096	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1CCOC1	1888051361	WWJVPHHTDINNAC-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
CO[C@@H]1COCCN(S(=O)(=O)CCl)C1	1893377441	YVSWQTLUGBWKSB-ZETCQYMHSA-N	243.712	-0.140	50	10	BBGE	
C[C@]1(O)CCN(C[C@H](Cl)C#N)C[C@@H]1O	1894992861	TURDENJJOGZHLO-VGMNWLOBSA-N	218.684	-0.065	50	10	BBGE	
CO[C@@H]1[C@@H]2CCN(CC(=O)NN)[C@@H]2C1(C)C	1895668174	RCGQZSLTWHDBPK-FKTZTGRPSA-N	227.308	-0.278	50	10	BBGE	
CC[C@H]1CCN[C@H]1C(=O)NN(C)S(C)(=O)=O	1901378004	VPJNTXAROYUOKA-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@@H]32)CC1	1907526918	GYDXBOULDHKUAV-AEJSXWLSSA-N	236.271	-0.102	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC=CC[C@@H]1CO	1909017088	AERMGLZYZROMBJ-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
CC(C)CN(C[C@@H]1C[C@H]1C(=O)NN)C1COC1	1909760042	SJQSPRFANXHCIF-GXSJLCMTSA-N	241.335	-0.031	50	10	BBGE	
CC1(C)CN([C@@H]2CCN(C(=O)NN)C2)C1	1910725287	NFGAOQISDSFZDP-MRVPVSSYSA-N	212.297	-0.014	50	10	BBGE	
C[C@@H](Cl)C1(NC(=O)Cn2cnnn2)CC1	1913516026	LPDCJOBYEXKHTA-ZCFIWIBFSA-N	229.671	-0.051	50	10	BBGE	
O=C(O)[C@H]1CCCCC[C@H]1C(=O)NNCCO	1916140835	IMWOSXOXOHUXBZ-BDAKNGLRSA-N	244.291	-0.119	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC12CCC2	1921600951	CHSHWDOKYQHMEW-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
O=C1NCCCC[C@H]1NNC(=O)C(F)(F)F	1923407775	GTOFQSUTBYTOFK-RXMQYKEDSA-N	239.197	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccc(=O)cc1	1927912426	XDOUXBIODRFCNV-IONNQARKSA-N	207.233	-0.526	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1C(C)C	1927993061	WGAPUIVHWKQQSD-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCOCC1	1928157489	RAOIYPGDWSREHK-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CCCCN1CCOCC(=O)NN	1928179665	SITRIXLIJZTEAU-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1CC1(F)F	1928496098	VXGFTPJUFSUNPQ-DMTCNVIQSA-N	207.180	-0.864	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C)C(=O)NN)C1	1930891072	XYENOJFICIPRPK-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
CS(=O)(=O)C1CN(C[C@@H](O)CCl)C1	1932097905	LXMHHVPJZLTQIR-LURJTMIESA-N	227.713	-0.685	50	10	BBGE	
NNC(=O)N[C@@H]1CCOCCC1(F)F	1932856591	LBMSITAVXOKNLX-RXMQYKEDSA-N	209.196	-0.026	50	10	BBGE	
CSC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1933241578	VQOYEFUISVHUEX-SVRRBLITSA-N	215.322	-0.340	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)C(=O)NN)[C@H]1C	1934287877	XGPLQRLUIWXWTA-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CC[C@H]1COCCN1CC(F)(F)C(=O)NN	1935943437	DCVKQBDRCHPPPY-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc(C2CC2)n1	1936090261	HIADXTXGGUYQPQ-JGVFFNPUSA-N	221.264	-0.219	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@@H](C)[C@H]1C	1936533037	KJIDBRDUCZTKQE-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCC2)C[C@H]1CO	1938466010	XUBOKXBMBGGMOY-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C(F)(F)CN1C2CCC1(CO)CC2	1940893868	NFIHLJXLQIJHKZ-UHFFFAOYSA-N	249.261	-0.399	50	10	BBGE	
CN(Cc1ccnn1C)C[C@H]1C[C@@H]1C(=O)NN	1941086282	ICGJZFBZDHLALV-SCZZXKLOSA-N	237.307	-0.522	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@@H]3C[C@@H]32)CC1	1947659466	XORPOVHILPIKSS-LPEHRKFASA-N	235.287	-0.529	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(CF)C1	1955352082	YPJRWWODDPYIRL-UHFFFAOYSA-N	211.187	-0.487	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(F)F)C(=O)C(=O)NN	1958562433	BFDNNMRLGFUCHM-WHFBIAKZSA-N	221.207	-0.664	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@]12CC2(F)F	1961597038	NIAZJPNGPPATPP-FBCQKBJTSA-N	219.191	-0.862	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3CC[C@@H]32)n1	1961717817	GPXXWEBVWOHUNB-RQJHMYQMSA-N	224.094	-0.188	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cccc(B(O)O)c1	1969586434	UIOKFIXMOCZEOK-KCJUWKMLSA-N	233.076	-0.153	50	10	BBGE	
CCCOC1CN([C@H](COC)C(=O)NN)C1	1976049765	UBVLWPNGRKVHDX-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
Cc1ccn(CCC(=O)NN)c(=O)c1C#N	1976299458	FIZXTGYZDHEZGD-UHFFFAOYSA-N	220.232	-0.592	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cc(Cl)n(C)n1	1979405146	LODLUEMZFHQVIY-LURJTMIESA-N	245.714	-0.116	50	10	BBGE	
NNC(=O)CN1CCOC[C@H]1c1ccco1	1981092153	WSBHGSNOQRVZJI-QMMMGPOBSA-N	225.248	-0.357	50	10	BBGE	
OB(O)c1cncnc1Sc1ccncn1	1981466296	WRXXFGNMJMGAJQ-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCC[C@@](O)(C(N)=O)C1	1982344374	RCYKSVFJSCSYEG-XVKPBYJWSA-N	248.710	-0.157	50	10	BBGE	
CN(C)CCOCc1cc(C(=O)NN)co1	1982819033	NIWYVOLDNXFILH-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1984463266	YCAVSBJDWIZADK-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985464188	JMJQUERGZSHYRC-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC2(CC(O)C2)C1	1986978525	ZLAOSMHYBGXEHW-FKTRJACZSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)[C@H]1CCCO1	1991329702	JLHZDLFKXZWXTJ-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NCC=CB(O)O)O1	1991339760	XOAWSQWADRCCFG-BDAKNGLRSA-N	227.069	-0.372	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1Cl	1991679664	LYKJKYAQYPPUQA-FXQIFTODSA-N	245.710	-0.840	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CCOC[C@H]2F)CC1	1991730615	JUZLGHNEWQAKBU-HTQZYQBOSA-N	232.255	-0.100	50	10	BBGE	
CC[C@H](O[C@H]1CN2CCC1CC2)C(=O)NN	1992113581	LVGRTWOYBIBEPT-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
C=C(CN1CC[C@@H](N(C)C)[C@H](C)C1)B(O)O	1992148833	UKPRUGQSYKJUAJ-MWLCHTKSSA-N	226.129	-0.173	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1995043442	XRCURDMTZORGSY-KYXWUPHJSA-N	249.738	-0.302	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCCOCC2)n1	1995179630	HZJUWOLHTULSMM-VIFPVBQESA-N	224.069	-0.620	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@](F)(CO)C1	1995937691	NKANAMPPRXVXRU-ATZCPNFKSA-N	247.314	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1CC(=O)NC2	1997360847	NJDQKXBWVMLCJX-VGMNWLOBSA-N	240.307	-0.892	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	2000966716	IHRWKRBJUMUUAZ-DOLQZWNJSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCCCNC1=O)C(=O)NN	2004251027	YUEVWUGPBJNPIU-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)c1ccncc1B(O)O	2004930751	WHDPDUQWCSQSGX-KCJUWKMLSA-N	236.080	-0.768	50	10	BBGE	
CCNC(=O)NCCc1ccc(B(O)O)cc1	2008779862	KIYKVLLTVBRASN-UHFFFAOYSA-N	236.080	-0.772	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2CC[C@@H]2N)CC1	2011703425	PTQGNJXDTIIXEY-ZJUUUORDSA-N	237.303	-0.009	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012898480	RYOPZJROVBZIAE-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013924823	GGAMWWNVHJUOAQ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)C[C@@H](CC(=O)NCC=CB(O)O)CO1	2020058771	IHZIUGCWDPEQEY-SECBINFHSA-N	241.096	-0.124	50	10	BBGE	
O=c1c(B(O)O)cccn1CCc1cccnc1	2058155478	MQZXROYMQCWEDQ-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
O=Cc1cc(F)c(B(O)O)cc1OC(F)F	2060261319	QOXQXLUREVUYOJ-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
COc1ccc(CC(=O)NCC=CB(O)O)cc1	2076076062	JYQNIYVSATWWMC-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
O=C(O)CCC(=O)N1CCC(B(O)O)CC1	2208628768	FVIKYBNDFITKOR-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@@H]2C1=O	2211799519	ZGGNANSBIQYDEQ-KDXUFGMBSA-N	223.276	-0.519	50	10	BBGE	
NNC(=O)C1(CN2[C@@H]3COC[C@H]2C3)CCC1	2212248267	VBLXVUHOVFCVTK-DTORHVGOSA-N	225.292	-0.380	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H]1C[C@@]2(C)O)C(=O)NN	2213357770	ZEDAXMZEAPRMJY-KBVBSXBZSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](O)C2)CCCC1	2216871429	NOPDJUWRYSGAHO-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CNCC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2217166655	IHJJZWXIPVVKGL-VIFPVBQESA-N	238.096	-0.553	50	10	BBGE	
OB(O)c1ccnc(NCCc2cnc[nH]2)c1	2217179703	BETRTZTZLUXFIH-UHFFFAOYSA-N	232.052	-0.861	50	10	BBGE	
CNCC[C@@H](C)Nc1nccc(B(O)O)c1F	2217181412	PRDHHNQYBMQFDF-SSDOTTSWSA-N	241.075	-0.690	50	10	BBGE	
COCCCCN=c1[nH]ccc(B(O)O)c1F	2217183133	GBCVZKFVHJGESV-UHFFFAOYSA-N	242.059	-0.839	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)C(F)(F)F	2217183681	KCSUSVXZTZYLGP-LURJTMIESA-N	248.013	-0.206	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1nccc(B(O)O)c1F	2217186316	IPUSQGCAEGIDJF-ZCFIWIBFSA-N	242.059	-0.595	50	10	BBGE	
NC[C@H](Oc1cc(B(O)O)ccn1)C(F)(F)F	2217193083	RLSVIQHEBNRKPH-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1Nc1ncc(B(O)O)cn1	2217200454	TXPBYRYETFZWSW-FJXKBIBVSA-N	237.068	-0.866	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCO1	2217204884	QEHVHCCGGJJAGJ-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
Cc1ncnc(C)c1Nc1ccc(B(O)O)cn1	2223645035	RCVCZHNJPDEPGY-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223645759	YWWGNJJDNTVVMF-SKDRFNHKSA-N	247.107	-0.921	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@@H]3COC[C@H]23)cc1B(O)O	2223648241	JAEBKNVHUCJKRB-OWUUHHOZSA-N	248.091	-0.626	50	10	BBGE	
OB(O)c1cnc(N[C@]2(C3CC3)CCOC2)nc1	2223672257	STRGUBFPEPGUDB-LLVKDONJSA-N	249.079	-0.863	50	10	BBGE	
CC(C)[C@]1(NC(=O)NN)CCNC1=O	2242599980	GDDUOWOABKZGKM-MRVPVSSYSA-N	200.242	-0.926	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)cnc1C	2242823962	SJAGULSIHFFZQY-SSDOTTSWSA-N	225.053	-0.516	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ncsc1B(O)O	2243358432	HBDUGSJNHWKRRF-PHDIDXHHSA-N	240.093	-0.649	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CC2)CO1	2243364301	UWRGLIHRNUDBRB-ZETCQYMHSA-N	227.069	-0.323	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(B(O)O)sn1	2243378630	WUVRGOVKKKJRFJ-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCOCC1	2243381163	CWMVVOWZIHTWQT-DTORHVGOSA-N	227.069	-0.512	50	10	BBGE	
CNC(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382579	QICNIJYLWKLBKZ-OCAPTIKFSA-N	228.101	-0.646	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CO1	2243395949	FCDRLVJZMBMYJH-XGEHTFHBSA-N	227.069	-0.515	50	10	BBGE	
CC[C@@H](O)CCNC(=O)C1CC(B(O)O)C1	2243397208	XFTILXTVVYHPGB-AMDVSUOASA-N	229.085	-0.483	50	10	BBGE	
CON(C(=O)c1csnc1B(O)O)C(C)C	2243398521	QVZZYZOCGNPUGA-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCCO1	2243401110	MGSVFHHMTSXFRN-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
O=C(N[C@]12COC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2243426133	FIEMRYXLIDKUQS-AZQAYCESSA-N	225.053	-0.856	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H](C)C(=O)O	2243758379	DWXLBVDDEONZCA-LURJTMIESA-N	229.041	-0.685	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)sn2)C1	2245434382	BXXCUIZSTVNYFH-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
O=C(N1C[C@H]2COC[C@H]2C1)C1(B(O)O)CCC1	2247734057	REMXJHMLPHSZBM-DTORHVGOSA-N	239.080	-0.512	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)c1nc[nH]n1	2247735997	REOSYVHNNIVCCB-LURJTMIESA-N	238.056	-0.621	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCc2occc21	2247742417	OKIAKSWJMWOKBX-SECBINFHSA-N	233.032	-0.211	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccoc1B(O)O	2247743956	LNSZFEXQLODKDP-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccc(B(O)O)o1	2247746986	HKWYNKHSXWNSAW-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2247747906	UXHPWAWEPJADJN-NBEYISGCSA-N	234.064	-0.777	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2(C)CC2)n1	2247759256	ZKAVFTLZUUNALT-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@H]1C(NC(=O)c2cc(B(O)O)cn2C)[C@@H]1C	2247762250	CRODOLFDIIBCRI-RNFRBKRXSA-N	236.080	-0.911	50	10	BBGE	
N[C@@]12CC[C@@H](CN(C(=O)[C@@H]3C[C@H]3B(O)O)C1)C2	2247807637	IQMNFTPDXDHUGX-TURQNECASA-N	238.096	-0.811	50	10	BBGE	
O=C(NCC1=CCOCC1)[C@H]1C[C@H](B(O)O)C1	2247886532	CJHNKGPNRLSNDN-MGCOHNPYSA-N	239.080	-0.298	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1CC(O)C2	2247894673	JNYCOZASJJRVPX-MFDQJXRNSA-N	239.080	-0.636	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897381	RNOXSFZAKVCXKF-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
CC1(C)NCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247900516	XOMZMZNVYTYPHZ-HLTSFMKQSA-N	240.112	-0.504	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)co1	2247906250	XFJFFXGSYWNQCG-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
CC(C)CC[C@@H](NC(=O)C#CB(O)O)C(=O)O	2248573412	DPWFMASRSSXOHS-MRVPVSSYSA-N	241.052	-0.993	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)[C@H]1C[C@H]1C	2249434051	UTWBACYXVORYAM-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)C[C@H]1CCCO1	2250586178	COPFGAHYLPHWGT-MRVPVSSYSA-N	245.279	-0.262	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1CO)[C@H]1C[C@@H]1B(O)O	2251442697	KNONLKBGVBFAKH-KATARQTJSA-N	241.096	-0.483	50	10	BBGE	
CC1=C[C@H](NC(=O)c2ccncc2B(O)O)CC1	2255444684	OEBNNGYVKOCIRA-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1cc(B(O)O)c[nH]1	2255459537	IBMKLNOIDIDKFD-UJNFCWOMSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]1C1CC1	2255466401	YGRHCCKXXHJBCQ-NSHDSACASA-N	248.091	-0.291	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3ccoc3B(O)O)C[C@@H]12	2255473549	MRXUEPOYSROUNX-WEDXCCLWSA-N	249.075	-0.313	50	10	BBGE	
C=C1CCCN(C(=O)c2cncc(B(O)O)c2)C1	2255517259	UTZGYFFVROLMOR-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)o1)C(C)(C)C	2255672737	LJIUUVFCVGXCJQ-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccc(B(O)O)cc1F	2255693993	VTAJPNQDIHVSNP-SNVBAGLBSA-N	249.050	-0.212	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)cn1C1CC1	2255747220	HEKGZLGQZDBQAY-UHFFFAOYSA-N	246.075	-0.744	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1cocc1B(O)O	2258134396	AIEFMONNJHGHER-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368634	PQMQKKJKAWTMQU-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1CC[C@H]2[C@H](CO)[C@H]2C1)C1(B(O)O)CC1	2298374860	AEGQFFPJAZOKOU-VGMNWLOBSA-N	239.080	-0.920	50	10	BBGE	
COC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376395	UXZXVNUXEPGKJB-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
N#CCN(CC#N)CCC[C@@H]1C[C@H]1C(=O)NN	2300397973	WRGBLRFLHTWCBY-NXEZZACHSA-N	235.291	-0.258	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)CC1(O)CC1	2301919456	PDHYSFNXVXMGQT-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303109727	UEXQYICVZUOFAW-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
COCC(CCN1CC[C@H](B(O)O)C1)COC	2303153390	CRNDOKGQBMPWCP-NSHDSACASA-N	245.128	-0.166	50	10	BBGE	
N#CC1=CCN([C@]2(C(=O)O)COC[C@@H]2N)CC1	2305250606	JTGPIQOJKHPEGS-GXSJLCMTSA-N	237.259	-0.677	50	10	BBGE	
C[C@H](C(=O)NN)N(CCCO)C1CCOCC1	2307613151	IAJGJQARHLFMFS-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@H]2COC[C@H]21	2317164426	ZNAFEEGNTQWFPV-IAZYJMLFSA-N	244.059	-0.705	50	10	BBGE	
COCCNC(=O)CNC(=O)[C@@H](C)Cl	41698984	MZHGFJPZJHQWSB-ZCFIWIBFSA-N	222.672	-0.508	50	10	BBGE	
CC[C@H](Br)C(=O)NCC(N)=O	61487349	XSVCWWHDWOAWAK-BYPYZUCNSA-N	223.070	-0.239	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CN)CC[C@H]1C	70182698	ALNSSHITLTVVDP-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C	134003592	URMYWHDLDAIONW-NTSWFWBYSA-N	200.238	-0.064	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@H](O)[C@H]2C1	156623740	OXDIWAKRQFSQNJ-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
NC(=O)CONC(=O)CCCCCl	160320622	YGPOEXGUYOMVNO-UHFFFAOYSA-N	208.645	-0.071	50	10	BBGE	
O=C(CO)NNC(=O)CCc1ccccc1O	180945865	OISNSJSJFDEQQP-UHFFFAOYSA-N	238.243	-0.536	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CCOCC1	199008153	JQQUXHHZXXXMOV-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
Cc1cc(CN2CCOCC2)ccc1B(O)O	203604065	IITPETZBPFGQNH-UHFFFAOYSA-N	235.092	-0.493	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCNCC1	211962953	DTRTXMDTNYSQAY-SECBINFHSA-N	214.313	-0.560	50	10	BBGE	
N[C@]1(C(=O)O)CCC[C@@H]1CCCB(O)O	214899974	HBEGNHDSKKYWSU-VXNVDRBHSA-N	215.058	-0.178	50	10	BBGE	
NC(=O)/C(N)=N\NC(=O)Cc1ccccc1	220098286	GZDAZOFSHHSYHU-UHFFFAOYSA-N	220.232	-0.897	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@@H](C)CCC(=O)NN)C1	226494826	VODXYHZPYOLRTI-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@H](O)C1	232299470	VUYJGHNCKYSTCZ-ZCFIWIBFSA-N	213.686	-0.378	50	10	BBGE	
CC(C)(CN1CC[C@@](C)(O)C1)C(=O)NN	232517004	HMLLRQTUWRRZSF-SNVBAGLBSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)NNC(=O)c1cc(O)cc(O)c1	236182863	FLETULFFXSUECZ-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
C#CC[C@@H](NC(=O)CCl)C(=O)OC	238343963	DPWAWHQSXBVTJS-ZCFIWIBFSA-N	203.625	-0.094	50	10	BBGE	
COc1cc(Br)c(B(O)O)cn1	238446550	NNDVFLWJTUAFBD-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
Cn1c(CCl)nnc1S(C)(=O)=O	238532011	FZFCHIBSRNDUDF-UHFFFAOYSA-N	209.658	-0.043	50	10	BBGE	
O=C[C@H](O)[C@H](O)[C@@H](Cl)[C@@H](O)CCl	238677171	AAKWHPOQUIOZJR-BXKVDMCESA-N	217.048	-0.886	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)cc(F)n1	306705498	OYIUEPFMIGCGIG-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
O[C@@H](CCl)CN1CCN2CC[C@H]1C2	307183432	YAXWVHVBMYLGPJ-IUCAKERBSA-N	204.701	-0.024	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@@H]2O[S@](=O)O[C@@H]21	307387275	CFTBGBQASQGCLQ-HZLMJBLGSA-N	228.653	-0.041	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C(C)(C)COC	309267804	JYGPXBSIXLGFFD-QMMMGPOBSA-N	233.312	-0.652	50	10	BBGE	
Cc1nonc1C(=N)NOC(=O)CCl	379340598	NOZOEFNGKQOOFH-UHFFFAOYSA-N	218.600	-0.010	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1	381596987	MBINVVVYEFHITE-PRJMDXOYSA-N	211.265	-0.458	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@](O)(C(=O)O)C1	386600499	ZAZVCXIPMLHKSE-VIFPVBQESA-N	231.252	-0.916	50	10	BBGE	
CN1CCC[C@@H]1COc1ccc(B(O)O)cc1	386866278	KELRRNWEEUAIJQ-LLVKDONJSA-N	235.092	-0.161	50	10	BBGE	
Cc1ncsc1CCNC(=O)C(=O)NN	391345061	PYCCBBLGUALHLM-UHFFFAOYSA-N	228.277	-0.900	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](CO)C2)n1	395318057	KEKMDWKZQNIFKJ-SSDOTTSWSA-N	240.263	-0.908	50	10	BBGE	
N#CCCc1cc(B(O)O)cc([N+](=O)[O-])c1	396057892	VKYCKOYAENTVCY-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
Nc1c(B(O)O)cc2ccsc2c1CO	396252084	PKMMOVLYZVLOGD-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CCC[S@](=O)NCc1ccccc1B(O)O	405035922	NLOJJZCBGYXUJP-INIZCTEOSA-N	241.121	-0.470	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(B(O)O)cc1F	405092199	WVLVTXBZRBOJMQ-UHFFFAOYSA-N	240.043	-0.011	50	10	BBGE	
CCCNC(=O)NCc1ccc(B(O)O)s1	405159560	CVFTYULIMVPJEB-UHFFFAOYSA-N	242.109	-0.363	50	10	BBGE	
N#C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	584941905	NHYOEXGLQCLLRW-NSHDSACASA-N	244.059	-0.602	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2CCC[C@@H]21	584949580	NFWFBYQPBNWKTF-PWSUYJOCSA-N	245.087	-0.009	50	10	BBGE	
NNC(=O)Cn1nc2ccc(CC(=O)O)cc2n1	585957499	DIYQKPNTVNCZDA-UHFFFAOYSA-N	249.230	-0.952	50	10	BBGE	
NC(=O)c1nc(CBr)c[n+]([O-])c1N	687815707	SPRJJKRKZAETJH-UHFFFAOYSA-N	247.052	-0.709	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23COC[C@H]2C3)CC1	689117003	VNUZTAKPTXSZJL-SKDRFNHKSA-N	236.271	-0.100	50	10	BBGE	
NNC(=O)c1cccc(CN2CCNC2=O)c1	696380484	YIINBIVDCHQSCQ-UHFFFAOYSA-N	234.259	-0.185	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1N(C)CCCl	696851243	GLHRXLUVYGUWLO-SFYZADRCSA-N	241.740	-0.031	50	10	BBGE	
CCC(CO)(CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703443710	DERUVYWASDABDI-YUMQZZPRSA-N	243.259	-0.964	50	10	BBGE	
CNNC(=O)[C@@H]1CCCN1C(=O)C1CC1	704632727	UHNLFEHCEFTWGZ-QMMMGPOBSA-N	211.265	-0.362	50	10	BBGE	
CN(C(=O)c1cn(C)nn1)[C@@H]1COC[C@H]1Cl	709090633	WCAHAMRTGODDPD-HTRCEHHLSA-N	244.682	-0.107	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CSC[C@@H]2C1	711526741	UBSJTXSOGOSLSO-XHNCKOQMSA-N	245.348	-0.714	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H](CO)CC(F)F	717787765	VMGPVNCQBJSXAJ-FSDSQADBSA-N	249.213	-0.081	50	10	BBGE	
CC(C)NC(=O)NN=Cc1cnc(N)nc1N	842524613	HHIUABRBFRPPGK-UHFFFAOYSA-N	237.267	-0.318	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1C	856052153	JJSFAXZZMHEOSI-JIGDXULJSA-N	237.263	-0.541	50	10	BBGE	
Cc1cncn1CC(=O)NN(C)C[C@H](C)O	910138813	DDGCSCPKBWPSJJ-VIFPVBQESA-N	226.280	-0.465	50	10	BBGE	
C/C(=C/c1ccco1)C(=O)NNC(=O)CO	1161080382	HTIBDLXCKOPQQE-ALCCZGGFSA-N	224.216	-0.177	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12CC(C1)C2	1261843986	YDUFBKZALLPSKW-CCNFQMFXSA-N	209.054	-0.138	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNC(=O)C1CCC1	1293325605	VLKONKCLRPQUJI-SSDOTTSWSA-N	240.259	-0.113	50	10	BBGE	
O=C(NNc1cccnn1)c1cc(O)ncn1	1295475993	IEINRGAXMUEVML-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1ncccn1	1625912042	ICXALACASBKSQY-UHFFFAOYSA-N	237.263	-0.288	50	10	BBGE	
Cc1cccnc1NNC(=O)Cn1nnc(N)n1	1638609656	XXONXGWRPDXBKD-UHFFFAOYSA-N	248.250	-0.898	50	10	BBGE	
O=C(NNc1cccnn1)N[C@H]1CCOC1=O	1684940532	UPYOKDNHRCNNLU-LURJTMIESA-N	237.219	-0.582	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)CCCl)C(=O)O	1866011571	RQOABGCSFFZLOT-NJGYIYPDSA-N	209.629	-0.435	50	10	BBGE	
O=C[C@@H](O)C(=O)N(CCCl)CCCl	1866359080	VIWQAAAPEMQLGK-ZCFIWIBFSA-N	228.075	-0.148	50	10	BBGE	
OC[C@H]1[C@H]2CN(C[C@@H](O)CCl)C[C@@H]12	1882366192	NXKCBZOCDLZVDR-MAUMQABQSA-N	205.685	-0.244	50	10	BBGE	
O=C(OCCl)N1CC[C@@H](O)[C@@H](O)C1	1882908638	ZOGYYOJIADUWKI-RITPCOANSA-N	209.629	-0.253	50	10	BBGE	
NC1CC(NC(=O)/C=C/C(=O)Cl)C1	1883647842	RJAMTTJHGSSIKS-OWOJBTEDSA-N	202.641	-0.086	50	10	BBGE	
COCC[S@](=O)CCNC(=O)CCl	1884266908	ITXSZUDGCUCOSI-CYBMUJFWSA-N	227.713	-0.264	50	10	BBGE	
O=C(CCCl)N1C[C@H]2CS(=O)(=O)[C@@H]2C1	1887072303	MRQGDGRGQHXLOJ-NKWVEPMBSA-N	237.708	-0.129	50	10	BBGE	
C#CCCCO[C@@H](COC)C(=O)NN	1887821467	MTCSIKBQYUPZRW-QMMMGPOBSA-N	200.238	-0.579	50	10	BBGE	
CCNC(=O)NN(C)S(=O)(=O)CC	1888571120	CPNXNVXWESBLDL-UHFFFAOYSA-N	209.271	-0.498	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CC[C@H](B(O)O)C1	1891518357	ZJKHWNQLWRNDAC-RRKCRQDMSA-N	201.006	-0.580	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCOC[C@@H]1CO	1893452937	JJUCPPCIRSQCNP-FXQIFTODSA-N	219.668	-0.167	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CC[C@@H]2C1	1896376648	OLDWUWASDYBDKH-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CN)CC(=O)NN(C)S(=O)(=O)C1CC1	1901340388	DAVBQMFPNYYPCX-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H](N)C1CC1	1901341141	PULQREKOMWGAFF-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
CCC#CC(=O)NCc1sccc1B(O)O	1902336537	SHGMHVSTXOYVGL-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC12CCOCC2	1902381572	OZIYLYQSPRXDQH-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
Cn1cnc(CN2CC[C@@](C)(B(O)O)C2)c1	1902516848	VHQPFONSPUADCZ-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@H]1CO)C(=O)NN	1902716767	WUWVHWNZNVFMSJ-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ncsc1B(O)O	1904906540	KHTSOHWPZVMWML-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CC(=O)NC1=O	1905558712	LCUUTEYNGODYII-UHNVWZDZSA-N	218.640	-0.607	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(N=[N+]=[N-])CC1	1912182033	WQHNXACHSZEPBO-UHFFFAOYSA-N	240.267	-0.072	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043631	UVBNQDMWSBPOID-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)C[C@H]1CCCO1	1926589444	JGOYLVCZKMYROF-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CCn1nccc1C(=O)NNC(N)=S	1930813909	TXQOXAKOCNSJNJ-UHFFFAOYSA-N	213.266	-0.619	50	10	BBGE	
N[C@H](CO)C(=O)N1CCSSCC1	1931771269	XZBNZDVHKLZNEW-ZCFIWIBFSA-N	222.335	-0.470	50	10	BBGE	
CC(C)(O)C1CN(CCCC(=O)NN)C1	1932097022	XIIUBXLWPFSIII-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2C[C@H]1CO2	1932589189	LUIWYPBHGDMGCM-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CN1CCN(CCCl)S(=O)(=O)CC1	1933998538	GTKVQBHEHWTISR-UHFFFAOYSA-N	226.729	-0.198	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1936095323	VYVCAKPXSHWALK-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C(CCl)[C@@H]2C1	1937461684	VHGBUCNZDLDIBP-YUMQZZPRSA-N	241.682	-0.384	50	10	BBGE	
CC1(C)C[C@@H](CO)N(CCCC(=O)NN)C1	1938237641	PORXSLOBBVGTTG-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COCC(COC)N(C)C[C@H]1C[C@H]1C(=O)NN	1941085245	LJHFSZBKXWOHFU-PSASIEDQSA-N	245.323	-0.794	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCCC[C@H]1O	1941094932	PXNYNAYTNZRCJY-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CCC[C@@]1(O)CCN([C@@H](COC)C(=O)NN)C1	1945564523	OTPROQPPAOOALV-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)C1O	1945912934	PNZSXLOWKMHBJL-RKDXNWHRSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](O)(COC)C1	1946479990	YZPLPTITBLVUMW-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(OCCO)C1	1946920981	KDXAXUFZAPALFZ-JTQLQIEISA-N	245.323	-0.916	50	10	BBGE	
CCn1nncc1CN(C)C[C@@H](C)C(=O)NN	1950439541	UNUKPXOAPCOYPG-MRVPVSSYSA-N	240.311	-0.644	50	10	BBGE	
NC(=O)CN1CCN(CCCCl)CC1	1956251575	HSLNTGWQMCSDPB-UHFFFAOYSA-N	219.716	-0.282	50	10	BBGE	
C=C(CCl)CN1CCOC[C@H]1C(N)=O	1956260281	IDLQNZJMVPORGG-QMMMGPOBSA-N	218.684	-0.033	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)cn2)C1	1957983069	XUROOKKWMYAVPN-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC[C@@H]2C[C@H]12	1958040156	PUFQTQAKBXLVGV-PRJMDXOYSA-N	211.265	-0.471	50	10	BBGE	
C=C1C[C@H]1COc1cncc(B(O)O)c1	1958254955	OOFZOLRJWGPNHH-QMMMGPOBSA-N	205.022	-0.284	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)CC12CC2	1961234357	AKSBMTYESYTCON-YUMQZZPRSA-N	213.281	-0.646	50	10	BBGE	
OB(O)c1csc(N2CCC23CCC3)n1	1961718435	OUHOAGVGWRAWHD-UHFFFAOYSA-N	224.094	-0.044	50	10	BBGE	
C=C1C[C@@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	1973735884	XFONYZNPIPGQQS-LBPRGKRZSA-N	245.087	-0.099	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1976214317	ZGSRCYFCCFKXPM-SECBINFHSA-N	230.287	-0.907	50	10	BBGE	
COc1ccc(C)c(C(=O)NCB(O)O)c1	1979185842	WOCTWUBOSOGBPC-UHFFFAOYSA-N	223.037	-0.255	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C[C@@H](C)F)CC1	1988564481	KYEXOUQIMDIBHV-BDAKNGLRSA-N	232.303	-0.660	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NCC=CB(O)O)CO1	1991332327	AOMTUFMJJSVKDZ-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(CCO)CNC1	1991652704	QLPGKVNVPUHTAZ-UHFFFAOYSA-N	246.694	-0.604	50	10	BBGE	
NNC(=O)C12COC(CSC3CNC3)(C1)C2	1993883911	NIAHDYIRTSOWHI-UHFFFAOYSA-N	243.332	-0.770	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](C)CO1	2001540835	XKYJSBIHZIVTMK-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
CCN(C)CCOc1ccc(F)c(B(O)O)c1	2005061506	VPMRUPVOCVXHAA-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cccc(B(O)O)c2=O)C1	2008844501	OJUHVIQYCSIRCY-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2C[C@H]1CO2	2008865661	DKFJKJTVXTZBKN-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]2CC1=O	2008869843	GNNANMNDYKNTEN-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](F)(COC)C1	2009643454	ZNBAFCMFUIFNMJ-WCBMZHEXSA-N	249.286	-0.948	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@@H](C(=O)NN)C1	2010835900	UBYINAODYZUACD-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012639639	MNJLAUAZARIGIL-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2nncc2C1	2013642434	HVAJCCDVEVWVCP-SECBINFHSA-N	238.295	-0.892	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1OCC[C@@H]1F	2019213162	VGRLUFWXWRHGKF-IUCAKERBSA-N	247.270	-0.788	50	10	BBGE	
O=C(C[C@H]1CCOC1)N[C@@H]1CCC=C1B(O)O	2020060496	BIPDUNKUGZZGGE-PSASIEDQSA-N	239.080	-0.370	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccccc1B(O)O	2022196150	HZQOAIPKJUZYMX-SECBINFHSA-N	231.060	-0.492	50	10	BBGE	
C#CCN1CCC[C@@H](N2CC(=O)OC(=O)C2)C1	2024554116	LMEJTCMAJIDEEY-SNVBAGLBSA-N	236.271	-0.531	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@@H]1CO	2025382261	AYJDQEBTXAFZEN-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]1C1CCC1	2052468226	AJTRRXRVXSPQEV-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
CN1CCC[C@@H](N(C)c2ncccc2B(O)O)C1	2052492918	WQKFTOJDUSDADN-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)c1ccncc1B(O)O	2052494392	LRNLSXDGOJFSJY-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)ccc1B(O)O	2052623717	ALJJNCKUCGXUPF-KLBPJQLPSA-N	244.103	-0.086	50	10	BBGE	
CCc1c(B(O)O)ccc(OC)c1[N+](=O)[O-]	2060054371	VUAHITAERKNLRK-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855617	SDRYSTMBQKXCMY-QXFVGKKJSA-N	245.091	-0.753	50	10	BBGE	
Cc1ccnnc1C(=O)N[C@H]1CCC=C1B(O)O	2076075182	BAIRQMWWAGWRBN-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
OB(O)c1csnc1COC[C@@H]1CCCO1	2211137824	LPQSSBWVRQGDTR-ZETCQYMHSA-N	243.093	-0.482	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2CO3)CCC1	2212249538	SYUXHSAYQPASGX-DTWKUNHWSA-N	225.292	-0.380	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(CCCO)C1	2212353799	UYBAXEJYEPQRLV-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCOC2)c1	2212602053	XWEIERURHMZEGK-SECBINFHSA-N	222.053	-0.648	50	10	BBGE	
Cc1cnc(N2CCSCC2)cc1B(O)O	2212605224	AFOAMBIMYDTVSL-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@]1(F)CCOC1	2216337492	HFPAGMSGWXVRMI-SNVBAGLBSA-N	249.286	-0.947	50	10	BBGE	
C[C@@H]1OCCN(c2cc(B(O)O)ccn2)[C@@H]1C	2217172494	KKCTUFJHPBNIBP-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
OC[C@H](CNc1cc(B(O)O)ccn1)C1CC1	2217175148	FFTNFYADJCNBAI-VIFPVBQESA-N	236.080	-0.808	50	10	BBGE	
CC[C@@](C)(CCO)Nc1ncc(B(O)O)cn1	2217177833	NVYOBDXLXTYKNS-JTQLQIEISA-N	239.084	-0.881	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCCN1	2220056767	FKDGGCNQLRFJMR-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
Cc1c(Cn2ccc(B(O)O)n2)cnn1C1CC1	2221099979	ZOEAWANYHHMDIU-UHFFFAOYSA-N	246.079	-0.549	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@@H](C)CN1C	2222178959	GYLGTHDLDCFNCI-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
C[C@H]1CN(C)CCN(c2cc(B(O)O)ccn2)C1	2223631941	CSTDNJKLRYHZOT-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@]1(C)CN	2223633498	XKYZZSKCBKIIPM-JOYOIKCWSA-N	249.123	-0.818	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1c1ncccc1B(O)O	2223638928	NTWIBQZTNZHZEQ-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(NC2CC3(C2)C[C@@H]3N)cc1B(O)O	2223643240	SZJBUAITYKXRAW-BSTRBVHOSA-N	247.107	-0.638	50	10	BBGE	
Cc1cnc(N2C[C@@H](N)CC[C@@H]2C)cc1B(O)O	2223646439	KQGSRWXXRIVZKM-UWVGGRQHSA-N	249.123	-0.614	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1Nc1ncccc1B(O)O	2223651371	BVOJQFGQOREYNI-GHMZBOCLSA-N	249.123	-0.167	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]2C2CCC2)[nH]c1	2223677947	VKDSWQFULOORIE-MWLCHTKSSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@]23CCNC3)nc1	2223678900	JJAXHAXLLHUGQF-GFCCVEGCSA-N	247.107	-0.906	50	10	BBGE	
Cc1sc(CNC=O)c(B(O)O)c1C	2241559451	NPYPKJMZAHFTRO-UHFFFAOYSA-N	213.067	-0.709	50	10	BBGE	
CCCC#CCOc1cc(B(O)O)ccn1	2242802261	UVLXRTXLBLUMOP-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243349648	OLXMTSOLKZMARP-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)o1	2243356448	IAXOPFNVKHIVGL-ZETCQYMHSA-N	221.021	-0.592	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1scc(B(O)O)c1C	2243381198	DKYJULWLPHWQTC-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(B(O)O)cs1	2243385614	LTKMZXKUZUZAPT-QMMMGPOBSA-N	237.089	-0.290	50	10	BBGE	
CCONC(=O)Nc1ccc(B(O)O)cc1	2243454463	UEHVOTYISWEJHF-UHFFFAOYSA-N	224.025	-0.561	50	10	BBGE	
NNC(=O)CCCN1CC(c2nncs2)C1	2244054306	SJIKYKZVIXBDPP-UHFFFAOYSA-N	241.320	-0.293	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)oc1C	2247721195	BCUNKXKKMIKRAW-QMMMGPOBSA-N	233.032	-0.884	50	10	BBGE	
CN(CCCF)C(=O)c1ccc(B(O)O)cn1	2247774656	AYBJEZKWNKQEMS-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
CCN1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785613	NUIWMCIXZKMGPJ-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCN1	2247791275	MMFBXHWHSWBPPA-VGMNWLOBSA-N	240.112	-0.504	50	10	BBGE	
CCc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)on1	2247796717	CAYJAXXAHYNRNE-DTWKUNHWSA-N	238.052	-0.284	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1CC(B(O)O)C1	2247797624	LMQPACWUBJQENO-IDKOKCKLSA-N	240.112	-0.645	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@@H]1C[C@@H]1B(O)O	2247808539	LNVREVGVMIKKGP-SFYZADRCSA-N	231.020	-0.823	50	10	BBGE	
O=C(NCC[C@@H]1CCCOC1)C1(B(O)O)CC1	2247853496	MYACJWUPGYPHGE-VIFPVBQESA-N	241.096	-0.074	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CCCC1	2247853911	UKBVVAQBVNCTMW-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
O=C(NCCCF)c1cccc(B(O)O)c1F	2247867454	FPGCEPOHRYFKMT-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
NC[C@H]1C[C@@H](F)CN1C(=O)C1(B(O)O)CCC1	2247875044	RUCGBCSTYYQCCK-HTQZYQBOSA-N	244.075	-0.719	50	10	BBGE	
Cc1cc(C(=O)NC2CCC2)ccc1B(O)O	2247875558	YFJNVXKETDXXAG-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)[C@H]1CO	2247879274	SPJKLYKOCRDBRJ-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
COC1(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247894497	HFFBRKKURHOWNF-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@@H]1O	2247895835	VPTUSJCGIWTTEL-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CC(CO)C2)C1	2247897819	XFDIIPFOGQZNRC-BDAKNGLRSA-N	239.080	-0.920	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCC2(CNC2)C1	2247898125	AOCHQINONOWLJD-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
CN(C(=O)c1nccnc1B(O)O)C(C)(C)C	2248058234	YNRAXODLPSUVJZ-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@H]2CC[C@@H]2C1=O	2248080794	KGOCPAFISXHSTC-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCCCF	2248968919	UVYQNVQYZYICCL-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1cocc1B(O)O	2249432927	FFKAJQGJUHJTJA-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C#CC[C@H]1CCCN1c1ncc(B(O)O)cn1	2249997493	VBRZRRBODFORME-JTQLQIEISA-N	231.064	-0.852	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2255461930	OMGUSNCCZWASRA-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255477456	ZYXQWYUMJLLTTB-PELKAZGASA-N	248.091	-0.433	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@H]1CCO1	2255512467	ZXOGAEJNAUWPAF-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)c1cccnc1	2255670544	GMAIWMLCABLRDK-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ncncc1B(O)O	2255686340	PVUACTGRGNYMFQ-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1ccncc1B(O)O)N(C1CC1)C1CC1	2255733783	QSVSZGLEFMCOHE-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2298004243	BNPUASWUJKHLHO-BTQIBKBOSA-N	241.335	-0.010	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@@H]2C[C@@H]21	2298165851	CEUUGYVSYXXXGY-ZRUFSTJUSA-N	238.335	-0.609	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2298367915	BGACACLHPGZXJS-XHNCKOQMSA-N	238.096	-0.811	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@@H](CO)C2	2298370001	LFMUTUAWSZJEAN-JDDHQFAOSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1N(C(=O)[C@@H]2C[C@H]2B(O)O)CCOC1(C)C	2298371287	GLKGCKBXNFDYMT-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
CN(C[C@@]12COC[C@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2298376664	HSSOIAHJWABBDT-CDLYGTGVSA-N	239.080	-0.656	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298377275	KNWUYUISHVVZPF-VAPHQMJDSA-N	239.080	-0.752	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H](F)C2)CCC1	2300041543	IKJMJYVWZGYYLA-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1CN2)C1CC(B(O)O)C1	2302385519	NUJRCFHLYCJZGS-LJIZTFJLSA-N	238.096	-0.894	50	10	BBGE	
CC(C)CNC(=O)CCN1CC[C@@H](B(O)O)C1	2303094947	OLPIVMMDCXDHGK-SNVBAGLBSA-N	242.128	-0.303	50	10	BBGE	
CCN1CCC[C@@H](N2CC[C@@H](B(O)O)C2)C1=O	2303157537	AAEJZYKULUEXHK-NXEZZACHSA-N	240.112	-0.454	50	10	BBGE	
CC[C@@](C)(CN1CCNC(=O)[C@@H]1C)C(=O)NN	2303423516	GEHIAGMZXSTMBO-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@@H]2[C@H]1CO)C(=O)NN	2303424905	WWTBMIGDOIGTAV-GUDRVLHUSA-N	241.335	-0.295	50	10	BBGE	
CCOC[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303834412	FROLPQOSCUMKAH-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1O[C@H]2CC[C@H]1C2	2307424918	ZOACNFGBHVAFMC-LPEHRKFASA-N	237.064	-0.924	50	10	BBGE	
CC[C@@](C)(O)CNc1ccc(B(O)O)cc1C#N	2317164400	ZDYUUCKALYHLLS-GFCCVEGCSA-N	248.091	-0.189	50	10	BBGE	
COC[C@H](C)N(C)C[C@@H](C)C(=O)NN	82469602	JCCMFXYBTKFJAL-SFYZADRCSA-N	203.286	-0.421	50	10	BBGE	
CCN(CC)C(=O)CN(C)[C@H](C)C(=O)NN	82470409	WRNLGFYLQDXNID-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOCC2=O)o1	93226314	AYYXZQGJWYUSNX-UHFFFAOYSA-N	239.231	-0.758	50	10	BBGE	
CS(=O)(=O)SCCOC(=O)CN	136179074	FRRRGOOFEYHEID-UHFFFAOYSA-N	213.280	-0.819	50	10	BBGE	
CC1CC(C(=O)NN(C)C)(/C(N)=N/O)C1	149704138	UOCQPDPPOHMCCL-UHFFFAOYSA-N	214.269	-0.258	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1cnc(C#N)c1C#N	156312920	BFYGGZFWGGQEPX-ZETCQYMHSA-N	232.247	-0.042	50	10	BBGE	
C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)B(O)O	169973944	XFBLCWMXGZNGPY-SCZZXKLOSA-N	236.080	-0.927	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccc(C)cc1O	193127941	UGKVBFIMOBNJON-UHFFFAOYSA-N	237.259	-0.319	50	10	BBGE	
CCOCCC(=O)NNC(=O)/C=C\C(=O)O	207408403	ORPCQLULEPUUNO-ARJAWSKDSA-N	230.220	-0.799	50	10	BBGE	
CCN/C=C(/C#N)C(=O)N1CCN(C)CC1	217258105	ZOSJRJCAGPWTDZ-KTKRTIGZSA-N	222.292	-0.223	50	10	BBGE	
C[C@H](N[C@H](O)C(=O)NN)c1ccccc1	218532177	DHDICIKEYHKHGR-IONNQARKSA-N	209.249	-0.355	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@@H](N)C[C@H]2C1	238572238	JQFMQNISVXCKKX-RITPCOANSA-N	207.189	-0.819	50	10	BBGE	
OB(O)c1cc(F)cc(-n2cccn2)c1	238641349	BQAWQNOWDWVHRK-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
CCNC(=O)CSC[C@@H](C)C(=O)NN	300845181	MWNGPWVODWCDNC-ZCFIWIBFSA-N	219.310	-0.518	50	10	BBGE	
CN(CCOCCCl)Cc1nnn(C)n1	301043840	LUHVVDKFXGIWBP-UHFFFAOYSA-N	233.703	-0.103	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCC[C@@H](C2)C1=O	305977827	QWPNTZLTIXPTLT-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
C[C@@H]1CSCCN(CC(=O)NN)C1	307476896	LQJVLYKOHRWBCR-ZETCQYMHSA-N	203.311	-0.339	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1C[C@@H](C)C(=O)NN	309753691	BLKAVWXQODALFK-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)C1(C)C	381561646	QMKHPFQLLVZRTK-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
N[C@H](CC(Cl)C[C@@H](N)C(=O)O)C(=O)O	381629730	PPUCBWZLTMGQIM-RFZPGFLSSA-N	224.644	-0.802	50	10	BBGE	
COC1(C)CN(CCCCC(=O)NN)C1	382597997	OMSYLSAQXVEVLY-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CO[C@@H]1O[C@H](/C=C/B(O)O)[C@@H]2OC(C)(C)O[C@@H]21	393828720	HISPYFKZAYAYFO-OSXOXYHDSA-N	244.052	-0.554	50	10	BBGE	
COCCN(C)CCC(C)(C)C(=O)NN	395620739	VVGLKZLOFMOZLR-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC[C@H]1C)C(=O)NN	399407848	JCURYYHQKAUTPL-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cccnc1F	401831630	NHAPAIVVAXTUBW-UHFFFAOYSA-N	233.224	-0.450	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(C)[C@H](CO)C1	687597740	TVEGHRRGCRLKRU-BDAKNGLRSA-N	234.727	-0.004	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C(C)(C)CO	688395547	KBHZSDKQKQBVJB-UHFFFAOYSA-N	231.296	-0.754	50	10	BBGE	
OB(O)c1ccn(C[C@@]23CCCN(CC2)C3)n1	694230456	UENXPEISKUKWOV-NSHDSACASA-N	235.096	-0.951	50	10	BBGE	
OB(O)c1cnn(CCOC2CCC2)c1	694545135	WDKWYLFETMXLQQ-UHFFFAOYSA-N	210.042	-0.868	50	10	BBGE	
C[C@@H]1CCN1Cc1cc(C(=O)NN)no1	706736572	UVRAUYNUEYYORC-ZCFIWIBFSA-N	210.237	-0.128	50	10	BBGE	
C[C@@H]1CCN(Cc2ccccc2B(O)O)CCO1	720454854	OZDANIXBYICLKT-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
O=S1(=O)CC(CNCCOCCCl)C1	722772146	SBJCADMCSBDRDL-UHFFFAOYSA-N	241.740	-0.124	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cc1ccnn1C	767759056	WJPSTQMRXJMYKE-UHFFFAOYSA-N	239.279	-0.299	50	10	BBGE	
O=C(NNS(=O)(=O)N1CCC1)c1ccoc1	795306321	SWMQSTZVQWUNLM-UHFFFAOYSA-N	245.260	-0.536	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2(C#N)CC2)cn1	815646433	JRUOPMXLCYMUAE-UHFFFAOYSA-N	247.258	-0.125	50	10	BBGE	
CN(CCCCl)C(=O)Cn1cnnn1	1142137540	RVDDCTCAMKBJJZ-UHFFFAOYSA-N	217.660	-0.240	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cccc[n+]1[O-]	1298980998	SQLWOFXTFOYJIK-UHFFFAOYSA-N	240.288	-0.599	50	10	BBGE	
C=CCC(C)(C)C(=O)NNC(=O)CO	1306819795	IAUNCEJZGRQPMN-UHFFFAOYSA-N	200.238	-0.272	50	10	BBGE	
O=C(CCO)NN=C1CC(=O)N2CCC[C@@H]12	1325158665	SISLEPFNFFKZOB-QMMMGPOBSA-N	225.248	-0.764	50	10	BBGE	
CC(=O)NNC(=O)[C@]1(C)CCCS1(=O)=O	1334873566	LNWBMVDRNPAKJS-QMMMGPOBSA-N	234.277	-0.879	50	10	BBGE	
CC(=O)NNC(=O)CCc1nc(C)no1	1440711718	CWIXLXWDLSDTOV-UHFFFAOYSA-N	212.209	-0.522	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@H](O)[C@H](C)O	1454262627	FEXOUVYQTJBUBU-RPAOPIHUSA-N	228.248	-0.712	50	10	BBGE	
COc1cc(C(=O)NNc2nc[nH]n2)nn1C	1611412617	VPYLZNKWZLEDCU-UHFFFAOYSA-N	237.223	-0.696	50	10	BBGE	
COC(=O)N(C)NC(=O)c1nsnc1O	1623763839	YMCOFOMMKZDVHM-UHFFFAOYSA-N	232.221	-0.413	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1ccnnc1	1626755467	AQFQHIAZMZAKGD-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@H]1C[C@H](O)CN1	1877393427	GTDXZGKDQKHULZ-DKXJUACHSA-N	218.684	-0.547	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CC[C@H]1O	1877519572	FHQBSXQIBKKVFU-BYVKAKODSA-N	203.625	-0.053	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)/C=C/C(=O)Cl	1877520332	NHEOKCSWJONHAU-GONBATFASA-N	218.640	-0.850	50	10	BBGE	
C[C@@H](CN1CC(C)(CF)C1)C(=O)NN	1885054765	UPMXUMMFSVHNFN-ZETCQYMHSA-N	203.261	-0.096	50	10	BBGE	
COC(=O)c1cc(C=O)cc(B(O)O)c1C	1887520755	CCEQRJOYEGPATR-UHFFFAOYSA-N	222.005	-0.726	50	10	BBGE	
CCNC(=O)NN(C)S(=O)(=O)C(C)C	1888553610	AAVBDSONRHQZCK-UHFFFAOYSA-N	223.298	-0.110	50	10	BBGE	
O=S(=O)(NCCC#CCCl)C1COC1	1892479592	DYJPDZMVXPYRLM-UHFFFAOYSA-N	237.708	-0.063	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@H]2C[C@H]2Cl)N1	1893098479	ITQBHXBZDBISJO-BWZBUEFSSA-N	238.740	-0.105	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@H]1C[C@H]1Cl	1893107035	JUTGCKARJWKRGD-FSDSQADBSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](Cl)C(=O)NCC[C@@H](O)CCO	1893418908	GPUROFCIUSZDTF-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H](O)CCl)C[C@H]1O	1894990910	HRPCTTMWSYXXEK-YIZRAAEISA-N	223.700	-0.596	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	1901250974	KOAKGLZBWOFXPC-SFYZADRCSA-N	226.255	-0.450	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN(C)S(C)(=O)=O)NC1	1901377922	UWHMRUFKJOZDLO-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](C)[C@@H](O)C1	1901765094	UOQKFDOJKURYLM-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cccc([N+](=O)[O-])c1=O	1905542525	YZPCWCVJZPGQOT-LURJTMIESA-N	240.219	-0.303	50	10	BBGE	
N#CC(C(N)=O)=C(N)NCc1cccnc1	1911831362	XSLJDUPTMKUCGS-UHFFFAOYSA-N	217.232	-0.650	50	10	BBGE	
CC(C)n1ccc(C(=O)NCB(O)O)n1	1927957193	BBXCTLAPGLOYRG-UHFFFAOYSA-N	211.030	-0.794	50	10	BBGE	
O=C(NNCCO)c1cc(Cl)c[nH]1	1929833003	BKXRAULDUOTRFF-UHFFFAOYSA-N	203.629	-0.105	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(N)=S	1930722499	XXWPMMWMBQTCKY-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
O=C(Cn1cnnn1)N1CC(CCCl)C1	1932116861	QKFYOZXVQFDIFN-UHFFFAOYSA-N	229.671	-0.240	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)CC1(C)C	1934002746	FFVMJDQRKLUPDC-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
CCOCCOCCN1CC(=O)OC(=O)C1	1935610105	PKUOKDZROZENGU-UHFFFAOYSA-N	231.248	-0.575	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]1C2	1936082728	GNWHYWKGYUNIQS-XSPKLOCKSA-N	223.276	-0.377	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C1CSC1	1936306930	SQSSGHDQINDGNX-IUCAKERBSA-N	245.348	-0.429	50	10	BBGE	
O=C(CCn1cnnc1)N[C@@H]1COC[C@@H]1Cl	1937144899	HEAXWDPXVIRDIO-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1937550005	YTIDZHYBQJHXTR-GXSJLCMTSA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@]2(CCO2)C1	1938676935	UDDYSUNEGCRZFY-GXSJLCMTSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN1CCO[C@H]2COCC[C@@H]21)C(=O)NN	1940343973	POJATFFFWIDKHT-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
CN(CCOCC1CC1)C[C@H]1C[C@@H]1C(=O)NN	1941090196	YQQUXFDGFFNZLY-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)[C@H]1C(N)=O	1942616097	NIPSVKDJQUENFL-PSASIEDQSA-N	242.323	-0.658	50	10	BBGE	
CN(CCn1ccnc1)CC(C)(C)C(=O)NN	1944474886	FQXCJNMQXIMKHA-UHFFFAOYSA-N	239.323	-0.169	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc(C2CCC2)n1	1946065568	ICQKWKAKXJQOOT-QMMMGPOBSA-N	239.279	-0.277	50	10	BBGE	
CN(Cc1cnnn1C)CC1(C(=O)NN)CC1	1950439442	SBVCFYXWYYMCLK-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CC(Cl)C1	1954057983	SWZBDQTVQDUBGG-ZETCQYMHSA-N	205.641	-0.149	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](CO)C(=O)OC	1955560283	YKMQEQVPZQUNLY-WDSKDSINSA-N	223.656	-0.346	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C(=O)CCl)CC[C@H]21	1961457389	UAVZPCMSVNVIGD-RNFRBKRXSA-N	231.683	-0.150	50	10	BBGE	
CC[C@H](C)N(C)c1ncc(B(O)O)cn1	1961680961	RFVZBQXDWHQMEE-ZETCQYMHSA-N	209.058	-0.609	50	10	BBGE	
CN(CC(C)(F)F)c1nc(B(O)O)cs1	1961717659	DKMLZTGHHZXLBS-UHFFFAOYSA-N	236.052	-0.086	50	10	BBGE	
O=C([C@H]1CC=CCO1)N1CC[C@@H](B(O)O)C1	1967586918	MHCFVLQNJNIFTO-RKDXNWHRSA-N	225.053	-0.593	50	10	BBGE	
Cn1nnc(CNCC[C@@H]2COC[C@H]2Cl)n1	1979870170	MPUROYXMCRDLFY-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
Cc1cn(-c2ncc(Cl)cc2B(O)O)cn1	1981465853	RREZIRGHWBEXCF-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CC[C@@H]1CCN1c1ncc(B(O)O)cc1F	1981469080	MHOQNZTWAPSFOD-MRVPVSSYSA-N	224.044	-0.111	50	10	BBGE	
C[C@H](OC1CC(n2cccn2)C1)C(=O)NN	1986220744	CGNWLKUQRIDNCE-UEJVZZJDSA-N	224.264	-0.018	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2C[C@H]1CN(C)C2	1987556408	JRPDZBRNXAJRIE-IMSYWVGJSA-N	226.324	-0.611	50	10	BBGE	
C[C@@H]1OC2(CN(C)[C@@H](C)C(=O)NN)CC1C2	1989832763	INDLPZRNFRHLRL-PCWJGIJCSA-N	227.308	-0.136	50	10	BBGE	
CN1CCC(Oc2nc(B(O)O)cs2)CC1	1992113729	NIIRRKLUFQYHIW-UHFFFAOYSA-N	242.109	-0.704	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)OC1CCCC1	1998129739	APVWUWAFXMJWIY-ZETCQYMHSA-N	245.040	-0.419	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)C2(CCC2)C1	2000813076	CDXPEXYFDSVZRC-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cncnc1N1CC(F)(C2CC2)C1	2004912731	XLLITWIIZMBYKR-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
C[C@@H](CN(C)C[C@]1(C)COCCO1)C(=O)NN	2005977841	MRECAHBUNVMYLS-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ncccc1C(=O)NN	2011374274	SKHJQZJRCUOYNQ-XVKPBYJWSA-N	236.275	-0.750	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NNC(C)=O)[C@H]1C	2019219277	LFZBGKDMWWBVCS-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21	2020061879	LTFGUAPLZBCMME-CHHOWFRJSA-N	237.064	-0.906	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](Cn2cc(F)cn2)O1	2021030646	UQSMLBUTZPNRFG-RKDXNWHRSA-N	242.254	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@@]2(CO)C1	2021657667	WURMIFSWLKZCTI-GMOBBJLQSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3COCC[C@H]32)nc1	2052470618	GMFLSRRRLJOTBJ-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@H]3C[C@H]32)ncc1B(O)O	2052552671	WEWYVEPWYSWSJR-IQJOONFLSA-N	247.107	-0.300	50	10	BBGE	
CC=CCCCn1cnc2c(B(O)O)ncnc21	2059204469	WOHFWZZJMRNTSD-UHFFFAOYSA-N	246.079	-0.138	50	10	BBGE	
N#Cc1c(OC(F)F)ccc(F)c1B(O)O	2060261613	XRTIBYOHRANNAB-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
CCc1c(B(O)O)cc(C#N)cc1[N+](=O)[O-]	2060283239	CYNBYTRBEDTRQC-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CCC=C1CN(c2ncc(B(O)O)cn2)C1	2212601239	KZQZPGSUVNHCME-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
C[C@H](CCCN)Oc1ncccc1B(O)O	2212603460	GKMHGJWYDHBCLG-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
C#C[C@H]1CCCN1c1cc(B(O)O)ccn1	2212603975	SWLKULLAIRGCTA-JTQLQIEISA-N	216.049	-0.637	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2212604395	PHFVIYKNGIKUBS-IUCAKERBSA-N	222.053	-0.731	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCO2)c1	2212611353	ZODDNGSDMRVARC-VIFPVBQESA-N	222.053	-0.648	50	10	BBGE	
C=C1COC[C@@H]1Nc1ncccc1B(O)O	2212614205	BIXWCOSCAFCEPM-VIFPVBQESA-N	220.037	-0.872	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC=C[C@H]1CO	2215770464	BUPHOQFEUFSRHN-OUAUKWLOSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOCC12CC2	2215776586	NRIYVVBJXRPLHA-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
C=C(CN1C[C@H]2CCO[C@@]2(COC)C1)B(O)O	2217063797	ZQEMTUBLDUBCNZ-GHMZBOCLSA-N	241.096	-0.708	50	10	BBGE	
Cc1cc(C)n(-c2nccc(B(O)O)c2F)n1	2217161516	DLRBPPVVZAXXSE-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCOCC2)c1	2217178941	CRIOMLKWTOFZQI-SNVBAGLBSA-N	236.080	-0.258	50	10	BBGE	
Cc1cnc(N2C[C@@H](O)C2(C)C)cc1B(O)O	2217179562	MOHLUHQKYBCRPP-SECBINFHSA-N	236.080	-0.971	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]2[C@@H](C)O)cc1B(O)O	2217180174	QSWYZOIXNHZJLC-KHQFGBGNSA-N	236.080	-0.749	50	10	BBGE	
C#CC#CC(C)(C)Nc1ccc(B(O)O)cn1	2217183350	HRPSROVVMJMAHX-UHFFFAOYSA-N	228.060	-0.412	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)[C@@H]1CCCN1	2217184501	PHHGFGAAVZKKRJ-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)ccn1)[C@H](N)CC	2217193669	OHVONGJGRDKJFH-ZJUUUORDSA-N	238.096	-0.344	50	10	BBGE	
N[C@@H]1CC[C@@H](Oc2nccc(B(O)O)c2F)C1	2217195401	JVDHKDLBMXNLNR-RNFRBKRXSA-N	240.043	-0.841	50	10	BBGE	
OB(O)c1ccc(=NCc2cccnc2)[nH]c1	2217197815	RLQPDRRLEFDCNB-UHFFFAOYSA-N	229.048	-0.810	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ncccc2B(O)O)CO1	2217203039	OTLTYVKQYQEHRL-BDAKNGLRSA-N	236.080	-0.259	50	10	BBGE	
OCCC1CC(Nc2ncccc2B(O)O)C1	2217203486	VTDZDHOTPOMJOP-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)CC[C@H]1N	2223643782	AFAUSXWYHZKZMA-SNVBAGLBSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2CC[C@H](N(C)C)C2)cc1B(O)O	2223645135	SICJKPTWALOHMK-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1	2223652768	GIXPFUBWGLXUIJ-DOFRTFSJSA-N	248.091	-0.862	50	10	BBGE	
NCC1(Nc2ccc(B(O)O)cn2)CCCCC1	2223670359	WVCBTJOJPIMPGH-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1coc(B(O)O)c1	2243348468	YAKKIAYPQPKFII-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1ccoc1B(O)O	2243350169	WVCOQIQHEAOVAH-LURJTMIESA-N	241.077	-0.805	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCO[C@H]2C[C@H]21	2243382254	MLAPUVRIWDTWLI-BGZDPUMWSA-N	225.053	-0.761	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2243382523	PBTNNNLFAUHXFO-WUNNTHRKSA-N	225.053	-0.857	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCOC1	2243395880	DITGFQMBALVTOV-XKSSXDPKSA-N	227.069	-0.465	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2243397015	UJHDRPDNTLDDQI-AEJSXWLSSA-N	221.065	-0.136	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397164	WTNSKTKGCDWTPO-HRDYMLBCSA-N	227.069	-0.443	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2csc(B(O)O)c2)C1	2243407303	PHDLAZMFQMUYED-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
CN(CCC#N)C(=O)c1cscc1B(O)O	2243411375	SCVLVFCSWLUHCS-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NCCCF	2243414930	KVXFYVFJCFIKOB-UHFFFAOYSA-N	246.072	-0.779	50	10	BBGE	
O=C(NCCc1cocn1)[C@H]1C[C@@H]1B(O)O	2243419561	BLFHLFHWBNZVRL-YUMQZZPRSA-N	224.025	-0.804	50	10	BBGE	
C#CC[C@H](C(=O)NCC=CB(O)O)C1CC1	2243713838	BLUJJIZKNQKQSM-JTQLQIEISA-N	221.065	-0.280	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)co1	2244212671	TXXLEXRIGKMMOW-POYBYMJQSA-N	223.037	-0.560	50	10	BBGE	
O=C(NC12COCC(C1)C2)[C@H]1C[C@@H]1B(O)O	2245060045	IABVACDUYSDGBF-VHSUDJNHSA-N	225.053	-0.856	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@@H]1C	2247722775	ONDAWRWJTSCKAW-ZETCQYMHSA-N	237.064	-0.108	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1occc1B(O)O	2247756232	LTYVLEOHDDTUPH-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
C#C[C@@H](NC(=O)c1sccc1B(O)O)C1CC1	2247774911	DYJBAJSLICHRBE-SECBINFHSA-N	249.100	-0.431	50	10	BBGE	
CN(C)C1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247789721	AOQUZNVRJFSJMG-DTORHVGOSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)CCO1	2247798803	XHTRKUQSSMAEJI-IDKOKCKLSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCc1cncnc1)[C@H]1C[C@H](B(O)O)C1	2247804776	ILUDDVJMWRBBSN-KYZUINATSA-N	235.052	-0.654	50	10	BBGE	
O=C(N[C@@H]1COCC1(F)F)[C@H]1C[C@H](B(O)O)C1	2247806575	GBIHGWDVBDTJOG-FSDSQADBSA-N	249.022	-0.610	50	10	BBGE	
CCCN(CC(C)(C)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2247809245	YNTPXMNESJANDM-BDAKNGLRSA-N	243.112	-0.141	50	10	BBGE	
O=C(Nc1cncc(F)n1)C1CC(B(O)O)C1	2247860551	YCKKJLSZGRUPHZ-UHFFFAOYSA-N	239.015	-0.193	50	10	BBGE	
C[C@@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@H]1F	2247869947	BGUXYPUYXMDHPM-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247878921	QGCIPDOJMCFQDO-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
CN1CC[C@](C)(NC(=O)C2(B(O)O)CCC2)C1	2247879401	UPWVAOLMXKDROO-JTQLQIEISA-N	240.112	-0.406	50	10	BBGE	
CC(C)NC(=O)[C@H](C)NC(=O)C1(B(O)O)CC1	2247879836	WJZKZQJDSPZFFK-ZETCQYMHSA-N	242.084	-0.977	50	10	BBGE	
CN1CCC(C)(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247894805	KXQCMOMHXUOGBX-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@@H](CO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247899259	LVVYFLHDMXIZRW-GUBZILKMSA-N	241.096	-0.626	50	10	BBGE	
CCCOC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247900104	TUTQORNMZCKWTJ-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](C#N)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247900668	YTPXUNMFEHJLBZ-FKTZTGRPSA-N	236.080	0.000	50	10	BBGE	
CC1(C)NCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247903547	KWHAZHVFYLCGJF-AMDVSUOASA-N	240.112	-0.504	50	10	BBGE	
CCOCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908904	BQTNLAVMUQBTRO-AOOOYVTPSA-N	241.096	-0.266	50	10	BBGE	
CC(C)(C)[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248578463	RFXWESNIMILRHS-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC[C@H]1C(F)F	2249239116	PPUGYIDOHMRZSZ-SFYZADRCSA-N	245.034	-0.201	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1cocc1B(O)O	2249425294	DRNVVVLZRUHWOG-SECBINFHSA-N	235.048	-0.368	50	10	BBGE	
Cc1ccc(N)c(C(=O)NCC#CB(O)O)c1	2249912632	NGPAZVXUXAFJRF-UHFFFAOYSA-N	232.048	-0.678	50	10	BBGE	
CCCn1cnnc1NC(=O)[C@H]1C[C@H]1B(O)O	2250324132	CKAUPDAQIZVPMX-NKWVEPMBSA-N	238.056	-0.511	50	10	BBGE	
Cc1cc(CNC(=O)C(F)F)ccc1B(O)O	2251312561	IDTIJYPTCISMMO-UHFFFAOYSA-N	243.018	-0.444	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CCC2)cn1	2255458593	TUUQZYHPTZQKAY-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@]23CCC[C@]2(COC3)C1	2255476336	JZGWHRLBCXIELC-VXGBXAGGSA-N	249.075	-0.969	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@H](C)C#N)c1	2255512309	XUBOPLJJVBXURJ-SECBINFHSA-N	246.075	-0.436	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cn2)C1	2255521702	ZJAFVJXDAQVAJG-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
Cc1cnc(C(=O)N2CCC2(C)C)c(B(O)O)c1	2255560181	RKAOVHJGRYOBAS-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cc(B(O)O)cn2C)CC1	2255736557	PNBAVXMATCSGKW-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165552	JLMPFCMVPYVKGW-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]1C2	2298369079	IGFOUSBIEQQFLH-GRDBIXFFSA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1C[C@H](B(O)O)C1	2298371253	FGMZWTQYMJJSJM-DFLMOOGLSA-N	241.096	-0.341	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1ccc(B(O)O)cn1	2300055544	PMFKBZMHMRUWJA-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Cn1cc(B(O)O)cn1)CO2	2300543324	HIBFIEFBBPNARM-ATZCPNFKSA-N	236.080	-0.622	50	10	BBGE	
COC[C@H](OC[C@@H]1CCC[C@H](C)O1)C(=O)NN	2301072484	YFKRJSVELROQMI-GUBZILKMSA-N	246.307	-0.035	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H]1NCCNC1=O	2302405005	FAWIYXRIQLUXKX-SECBINFHSA-N	242.323	-0.772	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccccc1B(O)O	2302908445	UGZRCPFVSJHNHD-SNVBAGLBSA-N	231.060	-0.441	50	10	BBGE	
CO[C@@H]1COCCN([C@H](C)[C@H](C)C(=O)NN)C1	2306798951	JQWKWLCFHRICBM-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H]1CCCCN1C(=O)COCC(=O)NN	58853181	FYQGIDKPINZPKS-SECBINFHSA-N	243.307	-0.216	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCO[C@H](C)C1	82469308	LKHRPMQCPFTQOD-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)CSC[C@H]1CC[C@H](C(=O)NN)O1	82472456	ZQMNQUPDUHVVJL-RNFRBKRXSA-N	248.304	-0.570	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(CN)cc1	82697366	HUSKFWMABNYADQ-UHFFFAOYSA-N	207.233	-0.074	50	10	BBGE	
O=C1[C@H](Br)CCN1C[C@@H](O)CO	85248951	UNPSIGZHVIWQRN-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
CCN1CCN([C@H](C)[C@H](C)C(=O)NN)CC1	86313274	WBGMAIULSNZTMU-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)CC(C)(C)O	92983874	ALVLSUOPZGGRID-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
COCCCN(CCOC)C[C@H](C)C(=O)NN	110590328	QNEARBBWTKQKOW-JTQLQIEISA-N	247.339	-0.403	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@H](CC(=O)O)C1	149098419	DHTYADDJLVSAHI-SSDOTTSWSA-N	231.252	-0.652	50	10	BBGE	
N[C@H]1CC=CC[C@@H]1C(=O)N1CCC[C@@H]1B(O)O	196825662	SMODZDWDAYGSIG-LPEHRKFASA-N	238.096	-0.717	50	10	BBGE	
Cn1cnnc1SCc1cccc(B(O)O)c1	198991631	JGECGGFVUYSGDK-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
COC[C@@H]1CCN(Cc2ccccc2B(O)O)C1	203525286	FTVFSAVCOCATQV-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
C[C@H]1CC[C@@H](C(N)=O)CN1[C@H](C)CC(=O)NN	216320068	RTYLOTNNWORLLS-DJLDLDEBSA-N	242.323	-0.659	50	10	BBGE	
C[C@@H](CNS(=O)(=O)CCl)[S@](C)=O	229764241	ZYJFEOCUMNPZRE-DYEAUMGKSA-N	233.742	-0.131	50	10	BBGE	
C[C@]1(O)CCN(Cc2ccc(C(=O)NN)o2)C1	235759866	ZOPDQVMZUHPPPJ-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
O=C1CN(c2nnc(CCCl)o2)CCN1	236026467	LMKRDXPCYKFRDU-UHFFFAOYSA-N	230.655	-0.213	50	10	BBGE	
CNc1nc(N)c(C(=O)NN)nc1Cl	238351443	MIWXDDYEMAMWMV-UHFFFAOYSA-N	216.632	-0.643	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)C[C@H]1C	300355190	MHQQJTQLAGIWPM-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@H](Cl)[C@H](O)[C@@H]1O	307473453	VPDVIMQPZYMQKN-PFCGLBSHSA-N	231.075	-0.074	50	10	BBGE	
O=C(CBr)N1CC[C@@](O)(CO)C1	307559319	FRDDJHNKYMYWHF-ZETCQYMHSA-N	238.081	-0.663	50	10	BBGE	
OB(O)c1ccnc2cc3c(cc12)OCO3	309233446	ZFQNGQIIGMEQAL-UHFFFAOYSA-N	216.989	-0.357	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1CCCC(=O)NN	309778895	KCMKNRGVKXLTRF-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
O=c1cnccn1Cc1ccc(F)c(B(O)O)c1	310981529	XXTKFYSZEJUMHZ-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=C(NN[C@H]1CCSC1)[C@@H]1COCCN1	381799493	CUARXJVFOXRZQO-YUMQZZPRSA-N	231.321	-0.899	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)c1nnnn1C	382195603	YQZRXSGRMAPMKG-BYPYZUCNSA-N	246.658	-0.490	50	10	BBGE	
C=CCOCCOc1ccccc1B(O)O	385441702	QUUNBWVSYRPXGZ-UHFFFAOYSA-N	222.049	-0.052	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388082734	BQWMGDOORQTOON-DTWKUNHWSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)CCCCN1CCCCS1(=O)=O	395588641	HDIIKDRUIISTFV-UHFFFAOYSA-N	249.336	-0.428	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	395605248	DLXHTMOWSSIYLB-RXMQYKEDSA-N	242.239	-0.237	50	10	BBGE	
N#Cc1c(CO)sc2ccc(B(O)O)cc12	396230605	YTFCOJMUEBQVJR-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC1(C)C[C@H](N2CC(=O)OC(=O)C2)CO1	396550460	OMLRJFKHKMXTGN-ZETCQYMHSA-N	213.233	-0.061	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(CC(C)(C)C(=O)NN)C1	398801011	IIHFIGNEOREDMU-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
Cc1nn(CCOCC2CC2)c(C)c1B(O)O	689364635	XNVMYDCXJZQEFX-UHFFFAOYSA-N	238.096	-0.394	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C[C@H](C)O)C1CC1	692095642	MDZKGRAHKJAVBN-WPRPVWTQSA-N	229.324	-0.010	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CNC(=O)C2)CC1	692124139	LVVVWUPJAIJTAB-SECBINFHSA-N	223.276	-0.527	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C#N)C1	693986247	NFFKQHRGVKQJHR-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
NC(=O)N[C@@H]1CCCN(C(=O)CCl)C1	702140989	NIYKJPVDZDGIQZ-ZCFIWIBFSA-N	219.672	-0.116	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CCNC2=O)cc1	710181227	RIBFAORXBSJKOH-UHFFFAOYSA-N	248.286	-0.256	50	10	BBGE	
CN(CCBr)CCn1cnnn1	712552394	PCFXDHXADVLJQZ-UHFFFAOYSA-N	234.101	0.000	50	10	BBGE	
CN(C)CC#CCN1[C@H]2CC[C@H]1C(=O)OC2=O	717959441	UBIUHYWEBPEVSG-UWVGGRQHSA-N	236.271	-0.532	50	10	BBGE	
CO[C@@H]1CCOC[C@@H]1N1CC(=O)OC(=O)C1	725060096	JNTSHHBTBFNBGN-JGVFFNPUSA-N	229.232	-0.824	50	10	BBGE	
C[n+]1cc([S@+]([O])(=O)NCCCl)[nH]n1	725680454	HRTQQEVVPQLHMP-CYBMUJFWSA-O	225.681	-0.819	50	10	BBGE	
O=C(CCCl)NC(=O)N[C@H]1CCNC1=O	725699054	CTRDAHQOOSFVGP-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
C/C=C\C(=O)NNC(=O)[C@H]1COCCO1	744651997	BYBHIYOENRVGPL-SKRYNEFJSA-N	214.221	-0.875	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@]1(C)CCC(=O)NC1	798832055	RUPVMDJGEJIPPI-LLVKDONJSA-N	241.291	-0.294	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)C(F)(F)F	863903497	IVGGQOASJSLNIN-BYPYZUCNSA-N	228.170	-0.285	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccc[n+]1[O-]	1136416349	MHQFQUYGJOZKPS-UHFFFAOYSA-N	224.220	-0.716	50	10	BBGE	
O=S(=O)(C(Cl)Cl)N1CC(O)C1	1201807525	QBSXXLKHEITEPZ-UHFFFAOYSA-N	220.077	-0.246	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](C)CC(N)=O	1295485842	NIIGRDBMGLNFDL-LURJTMIESA-N	230.268	-0.810	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)[C@]1(C)CCCO1	1347913815	BHEDDKJXDAYPRW-KWQFWETISA-N	244.291	-0.280	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCC(=O)O1	1354057480	JJSMRFIOWREOHD-RNFRBKRXSA-N	216.237	-0.964	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)ccc1F	1633507449	BQIXHSKXSKIHNK-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
COc1ccc(NNC(=O)Cn2ncnn2)nc1	1634280963	USUJRKAOVNSLIL-UHFFFAOYSA-N	249.234	-0.780	50	10	BBGE	
CC#CC(=O)NNc1cc(C)nc(N)n1	1636215375	KHYFLFVMSMKCOL-UHFFFAOYSA-N	205.221	-0.166	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883552826	OKUAWHASHHKOCX-YTLHQDLWSA-N	206.673	-0.562	50	10	BBGE	
N[C@@H]1CCN(C(=O)C=CC(=O)Cl)C1	1883626377	FWFVKEKTNWOFSX-ZCFIWIBFSA-N	202.641	-0.132	50	10	BBGE	
Cn1cc(C(=O)NCC#CCCl)nn1	1884810649	RFXKYRNDOYPFCI-UHFFFAOYSA-N	212.640	-0.213	50	10	BBGE	
C[C@H](OCC[C@@H](C)N(C)C)C(=O)NN	1884886673	HCNDONKMVGQRSU-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2CF)CC1	1886121433	CAAGPIPGXZVZEC-ZETCQYMHSA-N	201.245	-0.200	50	10	BBGE	
NC(=O)COC1CN(C[C@H]2C[C@H]2Cl)C1	1893127064	FQVGOSUUDFMPJM-HTRCEHHLSA-N	218.684	-0.200	50	10	BBGE	
O=C(N[C@]1(CO)CCOC1)[C@H]1C[C@H]1Cl	1893446643	POAJSXPODMBBJI-OOZYFLPDSA-N	219.668	-0.119	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1894741408	FHZORCVNFZUOPZ-PBXRRBTRSA-N	233.218	-0.474	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@]1(C)CO	1901764540	SVBAKBKTQBKANH-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
Cc1scc(C(=O)NC[C@@H](C)F)c1B(O)O	1902865639	VTLOLCNWIDGWKL-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H]2CC[C@@H]21	1906867368	SEFFUKDKDCXFRW-MMWGEVLESA-N	240.351	-0.221	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1908899800	QIBKKIQFKUHVHF-VWYCJHECSA-N	240.351	-0.221	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1ccc(F)c(B(O)O)c1	1908962861	NQEUMEDUCXYYNJ-WRWORJQWSA-N	240.039	-0.081	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H](F)[C@H](F)C1	1909028975	ZQGXKPFHHFMJMW-HTQZYQBOSA-N	245.997	-0.603	50	10	BBGE	
NC(=O)NNC(=O)C=Cc1cccnc1	1911736785	JQDZFBWEQCRLNA-UHFFFAOYSA-N	206.205	-0.206	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCOC1CC1	1914550220	GLTQAUNRJGNZJM-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)C(F)(F)F	1923406077	SKIXEUGSCBNGJO-UHFFFAOYSA-N	236.153	-0.257	50	10	BBGE	
COC[C@H](C)C(=O)Nc1ccccc1B(O)O	1924025068	UISQRJBQAREISM-QMMMGPOBSA-N	237.064	-0.413	50	10	BBGE	
OC[C@@H](O)[C@@H]1COCCN1CCCCl	1928574424	WBKAVADXJACTDT-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
CC(C)(CCl)NC(=O)Cn1cnnn1	1928696600	PMFKKKITEWYCGI-UHFFFAOYSA-N	217.660	-0.193	50	10	BBGE	
O[C@H](CBr)CN1C[C@H](O)[C@@H](F)C1	1929872137	LOUITICOTOXLTQ-VQVTYTSYSA-N	242.088	-0.243	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)S1(=O)=O	1930745514	HERJIZZQKLGVEQ-SSDOTTSWSA-N	235.309	-0.820	50	10	BBGE	
CC[C@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1930888976	AJQDITRRGWVZLO-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC3)CO2)CC1	1931258513	BEHSZTDXRCIIBE-UHFFFAOYSA-N	211.265	-0.216	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@@H]1CC(=O)NC1=O	1932172780	WGAZJDLPBISPQL-RXMQYKEDSA-N	232.667	-0.217	50	10	BBGE	
CC(=O)NCc1sc(B(O)O)cc1C	1935196940	POODIDICDSDWEG-UHFFFAOYSA-N	213.067	-0.628	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1CCOCC1	1935943285	BVJFVKABMBWRQG-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]1CCC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092118	RKSHQOAWJZLIGC-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](O)C(F)(F)CC1	1937581165	ZXGCWRXCPHNZCY-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1C2CCC1([C@@H](C)O)CC2	1938703627	BMABVTMVKXEGIG-BFWVQVCMSA-N	227.308	-0.257	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@@H](O)[C@H]1CC2	1939158585	VJMXOURLTJHDAC-AXTSPUMRSA-N	227.308	-0.257	50	10	BBGE	
CC(C)n1ccn(CC(F)(F)C(=O)NN)c1=O	1940896497	UABKWRFTSBLGFU-UHFFFAOYSA-N	248.233	-0.144	50	10	BBGE	
CN(Cc1cccnn1)C[C@@H]1C[C@H]1C(=O)NN	1941081239	AIWLNAZUKMLZBS-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
CN1CC[C@@H](CN(C)CC2(C(=O)NN)CC2)C1	1945883102	UGURIYMHKFFPDC-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCC2)[C@@H](CO)C1	1946314460	DHRFADMIGJYMNF-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(F)CCN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	1946920772	GUFHBJXRPONLRA-YWVKMMECSA-N	245.298	-0.042	50	10	BBGE	
COCc1ccccc1CNC(=O)C(=O)NN	1948459250	PRKOHDUNSHJLFX-UHFFFAOYSA-N	237.259	-0.561	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)OCCl)C1	1955609497	UYCNQCBDAIVDCC-UHFFFAOYSA-N	222.628	-0.495	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)C[C@H]1CO	1956256412	NRRAMRAOFOGIBU-IUCAKERBSA-N	222.716	-0.806	50	10	BBGE	
C[C@@H](CCC(=O)NN)N=[S@@](C)(=O)N(C)C	1960619477	YVLWNXZVEAPJRF-NZFNHWASSA-N	236.341	-0.281	50	10	BBGE	
C=CC[C@@H](C)Oc1ncncc1B(O)O	1961695572	GBQQARFNUQIHOG-SSDOTTSWSA-N	208.026	-0.500	50	10	BBGE	
CCN1CCC[C@H](N(C)CCC(=O)NN)C1	1976090751	UINOMYSUBRNYAW-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
O=C1C[C@@]2(C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)O1	1977002786	FKUBVTJFTUAXKW-MTBHXBHISA-N	244.268	-0.099	50	10	BBGE	
COC[C@]1(C)COCCN1[C@@H](C)C(=O)NN	1980189817	OLBVLQYPXZAGFZ-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@@H]1CCO	1981406621	GOQUPUDJCYFJDK-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
OB(O)c1cnc(N2CCCC23CC3)nc1	1981410982	GDKDOSVQAAIFKY-UHFFFAOYSA-N	219.053	-0.711	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1981998454	BGWVKUJEGGYDCP-XAVMHZPKSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccc(O)cc1=O	1982432994	HGAVNBNKFLYZQH-SVRRBLITSA-N	223.232	-0.820	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1COc1ncncc1B(O)O	1985913011	ZXXJPKGOMPXBSP-JIGDXULJSA-N	222.053	-0.563	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC(F)(F)C1	1986741123	LQEBLZMFSYSLQD-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]1C(F)(F)F	1990774146	FIWWZHXGDLLBSS-LURJTMIESA-N	239.197	-0.210	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3Cl)[C@@H]21	1991682172	HMBKVKMKNRHGLB-CBQIKETKSA-N	245.662	-0.076	50	10	BBGE	
CCC[C@H]1CN(CCC(=O)NN)C[C@H]1CO	1994827205	UTHQQQJPOFWNKC-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CCCCOC(=O)Nc1ncc(B(O)O)cn1	1996645208	HGUFWQMQLBNRPP-UHFFFAOYSA-N	239.040	-0.495	50	10	BBGE	
CC[C@H](COC)N(C)c1ncc(B(O)O)cn1	2004911436	HDTDKVXSOAXDAO-SECBINFHSA-N	239.084	-0.982	50	10	BBGE	
Cc1ncnc(O[C@@H](C)C(F)(F)F)c1B(O)O	2004936342	YDUOPNSUCKTKRA-YFKPBYRVSA-N	249.985	-0.206	50	10	BBGE	
Cc1nc(N2C[C@@H]3CC[C@H]3C2)ccc1B(O)O	2005016399	ORNZKWLDWDDBDK-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
COc1nc(N2C[C@H](C)[C@@H]2C)ncc1B(O)O	2005017712	JIJUEWOIDKZOFK-BQBZGAKWSA-N	237.068	-0.990	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(N(C)C2CC2)C1	2005180662	VFNCGZWKCZBLEM-LLVKDONJSA-N	240.351	-0.221	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]2CF)n1	2011849700	KOLIRWHBPUYUJI-QMMMGPOBSA-N	239.059	-0.679	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012895059	FZBZEOHDPBQRJX-LADJIXMOSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H](OC)C1	2014053861	QHRYPAIWEVSEMR-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022800	XQLVOQRAZCIXNC-FOKACVKASA-N	239.319	-0.136	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccccc2B(O)O)[C@H]1C	2022199998	MOEHYHXXAICFSU-IUCAKERBSA-N	233.076	-0.153	50	10	BBGE	
Cc1ccc(NC(=O)c2cocn2)cc1B(O)O	2031814768	ICPXQOPWRCJUCI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1nn(Cc2ncccc2F)c(C)c1B(O)O	2035750421	JNUNUFJZICLZOY-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]2C2CCC2)nc1	2052471364	DOPSPCJSFGDTTR-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N(C)Cc2ccoc2)ncc1B(O)O	2052558519	ZDUSDDZMQPVIHM-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1cnc(N2C[C@H]3OCC[C@@H]3C2)c(B(O)O)c1	2052620526	UYQMBOSBUNZJBR-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@@H]2CC[C@H]3N)CC1	2057692842	JQRMAIGNFQGSSK-OPQQBVKSSA-N	249.314	-0.009	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(B(O)O)cc1C=O	2060040906	WGBKOFLEIHFPAP-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCOc1cc(B(O)O)cc(C=O)c1C	2060136753	HANJBZCAXXNWNO-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1cc(C#N)cc(B(O)O)c1C=O	2060186564	QEKMFCDUSWZIQD-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOCc1nccn1-c1ccncc1B(O)O	2061999987	ZAOOIQUCXDRYIA-UHFFFAOYSA-N	247.063	-0.516	50	10	BBGE	
COC(=O)c1cc(F)c(B(O)O)cc1Cl	2069366902	QCYNUCBSIDCZPL-UHFFFAOYSA-N	232.403	-0.055	50	10	BBGE	
Cc1ncc(B(O)O)cc1C(=O)N1CCCC1	2069371602	AOLIUIASQNOGIJ-UHFFFAOYSA-N	234.064	-0.694	50	10	BBGE	
O=C(NCc1ccno1)c1ccccc1B(O)O	2079009352	QUFDANULLVORAB-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
COCc1c(B(O)O)ccc(F)c1F	2086908923	OKLQQADSGSUUEA-UHFFFAOYSA-N	201.965	-0.209	50	10	BBGE	
N#Cc1ncn(C[C@@H]2CC[C@@H]2C(=O)NN)n1	2211838170	DFRDOEHAXBVSTG-BQBZGAKWSA-N	220.236	-0.834	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]2C2CC2)nc1	2212602017	XDZCVCJEFRCZQX-UWVGGRQHSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212602444	DONFPKKDFMCKAW-MBTKJCJQSA-N	218.065	-0.028	50	10	BBGE	
Cc1cnc(O[C@@H]2CCOC2)cc1B(O)O	2212604510	POICPNQUZULFNP-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2cc(B(O)O)ccn2)C1	2212610653	MMXHXCUJNVENDJ-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
Cc1cnc(N[C@H]2[C@H]3OCC[C@@H]32)cc1B(O)O	2217181801	VIXIOQVKDYGZJF-ONOSFVFSSA-N	234.064	-0.731	50	10	BBGE	
NC1CC(CCOc2ccc(B(O)O)cn2)C1	2217185651	ZVKQVEKNDCREQD-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
N[C@@H]1CC12CC(Nc1cc(B(O)O)ccn1)C2	2217195944	BCYGWRSFJNDQDM-INWMGODYSA-N	233.080	-0.947	50	10	BBGE	
C[C@H]1CO[C@@H](CNc2cc(B(O)O)ccn2)C1	2217199569	NKLIDARJZSOBOH-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2217202197	UWYNQTSWIRXPTO-PSCFOPOQSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCC[C@H]1O	2217203996	CVHSXOCJMCOGIP-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
CC(C)=C(C)CCn1cc(B(O)O)cnc1=O	2217406913	XPODIEOPQYQFEA-UHFFFAOYSA-N	236.080	-0.331	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2CN1Cc1cccc(B(O)O)c1	2220062697	NAQJMMTUEHPDNT-CMPLNLGQSA-N	245.087	-0.265	50	10	BBGE	
C[C@@H]1C[C@H]1CCn1cnc2c(B(O)O)ncnc21	2220957246	FRJAWFGFQGFYMM-HTQZYQBOSA-N	246.079	-0.448	50	10	BBGE	
CC[C@@]1(C)CC(=O)N(C(=O)C#CB(O)O)C1	2243356892	OHWSBIQNPJTOEX-JTQLQIEISA-N	223.037	-0.823	50	10	BBGE	
Cc1nc(C(=O)N2CCCC2)c(B(O)O)s1	2243359589	UQTTXJKJRMMTEK-UHFFFAOYSA-N	240.093	-0.633	50	10	BBGE	
CCCCN(C(=O)C#CB(O)O)C1COC1	2243362157	NBJSCPKZQPGQRZ-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
C=C[C@H](C)NC(=O)c1c(C)nsc1B(O)O	2243385269	GFPWODGEKQKPJV-YFKPBYRVSA-N	240.093	-0.564	50	10	BBGE	
O=C(Nc1cncc(F)n1)[C@@H]1C[C@@H]1B(O)O	2243392943	YIZDWSJRMXPMDA-UHNVWZDZSA-N	224.988	-0.583	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(OC(F)F)C1	2243396095	HHKIALGNAYXRAH-RITPCOANSA-N	234.995	-0.701	50	10	BBGE	
CCN(C[C@@H](C)OC)C(=O)C1(B(O)O)CC1	2243410829	IMIHETKLOVXVLO-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(C)COC1	2243415933	FPQDJYKWLUNTOP-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
C=C(CS(=O)(=O)NCC(C)(C)C#N)B(O)O	2243420370	RGXQXBUQPXNBQQ-UHFFFAOYSA-N	246.097	-0.976	50	10	BBGE	
Cc1nc(CN2CCC(B(O)O)CC2)n[nH]1	2244177767	OQLRDWVEQAEULC-UHFFFAOYSA-N	224.073	-0.448	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1coc(B(O)O)c1	2247734360	SIJMEKMBGQHLBY-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
O=C(C#CB(O)O)N1CCOc2ccccc21	2247740994	SKMGPOMSMKIEOQ-UHFFFAOYSA-N	231.016	-0.573	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247790859	JYIUOJDNDKUCCG-JBDRJPRFSA-N	237.064	-0.223	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2COCC[C@H]21	2247800566	QFLMZCDNMHXKAA-QLVNRRSVSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCCC12CNC2	2247808612	VNRZICIPKZIWJB-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CC(C)c1ncc(CNC(=O)C#CB(O)O)o1	2247851815	KLRHFSUZLSVWCA-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H](C)C#N	2247868665	WOQMQMXJCLSEIZ-LURJTMIESA-N	236.036	-0.843	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247893652	VZSKEEAJTWTHEW-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
COC(=O)C(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247895815	VNENJKLUTHENND-BQBZGAKWSA-N	243.068	-0.835	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247900525	XPHMCBUHOVWTGA-UTINFBMNSA-N	241.096	-0.410	50	10	BBGE	
C=CCOC(=O)Nc1ncc(B(O)O)cc1F	2248210659	LJSHBHPLBSAEPS-UHFFFAOYSA-N	239.999	-0.365	50	10	BBGE	
C#CCCCCNC(=O)c1cocc1B(O)O	2249424560	UWQOBCDOAYKFLZ-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N(O)C(C)(C)C	2252738652	AWSFAJLWRHUZKM-UHFFFAOYSA-N	240.068	-0.665	50	10	BBGE	
CN(CC1CC1)C(=O)Nc1cc(B(O)O)ccn1	2254652844	HBGNVHIUUZQOLL-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
NCCCc1ccc(NC(=O)C#CB(O)O)cc1	2255459335	FOSGCYDBOBVAMF-UHFFFAOYSA-N	246.075	-0.468	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1c[nH]nc1B(O)O	2255683425	WPBJPWHAAPEORN-APPZFPTMSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2255728814	LWCZWFMIFPZALG-PRQTWWFRSA-N	247.059	-0.560	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1[C@H]2CCC[C@@H]1C2	2255730942	XCASBZKREPXOQD-AOOOYVTPSA-N	248.091	-0.528	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@H]3C[C@H]32)c(B(O)O)c1	2255788809	WFAMEPABOMCGSO-WCBMZHEXSA-N	246.075	-0.696	50	10	BBGE	
COCC(COC)N(C)CC(B(O)O)=C(C)C	2301848359	ILIBKPICVXJWHR-UHFFFAOYSA-N	245.128	-0.072	50	10	BBGE	
NC[C@H](Oc1cc(B(O)O)c(F)cn1)C1CC1	2303856649	XBGFCWINBMKBJG-VIFPVBQESA-N	240.043	-0.983	50	10	BBGE	
C[C@@H](CN(CCO)C1CCOCC1)C(=O)NN	2307963434	YDEAZRXHCUHRJT-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1CNC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317307033	XLCQXUCMSJBOKD-PELKAZGASA-N	248.091	-0.801	50	10	BBGE	
OB(O)c1cc(NC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1F	2320792377	DLUJDDSMGTXKMH-WCTZXXKLSA-N	248.066	-0.033	50	10	BBGE	
Cc1cnc(N2CC[C@H](N)C2(C)C)cc1B(O)O	2327403508	OBDDWTCOEFUCSD-JTQLQIEISA-N	249.123	-0.614	50	10	BBGE	
C[C@H](S)C(=O)NNC(=O)[C@H](C)S	32156243	UNVNBMGSZYEBPK-IMJSIDKUSA-N	208.308	-0.230	50	10	BBGE	
COC(=O)CNC(=O)NC(=O)[C@H](C)Cl	36906038	AVLCZRXYWRAYCG-BYPYZUCNSA-N	222.628	-0.388	50	10	BBGE	
NCC(=O)NNC(=O)CCOc1ccccc1	49828534	YSGAAJKQNYSUGD-UHFFFAOYSA-N	237.259	-0.438	50	10	BBGE	
CCN(CCN(C)C)C(=O)CCC(=O)NN	58839690	LZIYZRHNUUJAFB-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCN1CCCCC1	58841112	JTZXCIPVPFLNGA-JTQLQIEISA-N	228.340	-0.170	50	10	BBGE	
C=CCNC(=O)COc1cccc(C(=O)NN)c1	66056669	LIDQJODVPKDJFU-UHFFFAOYSA-N	249.270	-0.029	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@@H](C)S1	69910270	NSKXFKQJHMUALL-OLQVQODUSA-N	217.294	-0.671	50	10	BBGE	
O=C=N[C@@H]1COCCN1S(=O)(=O)C(F)F	83877872	XGGMNVYLPIEZDA-YFKPBYRVSA-N	242.203	-0.467	50	10	BBGE	
NNC(=O)CCN1CCN2CCCC[C@H]2C1	86930329	OFFDFZSVIIDZAR-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
N#Cc1nccn1Cc1occc1C(=O)NN	94940805	SGTNFTGOZGWTLI-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CN(C)NC(=O)C1(C(N)=S)CCOCC1	147803919	MORHOUMMVOTKDU-UHFFFAOYSA-N	231.321	-0.338	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](CO)C1	166153737	RTNKDUJWVZGIOE-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1cnn(CC(=O)O)n1	170312571	OSMBKMHEGIJFIW-BYPYZUCNSA-N	232.627	-0.072	50	10	BBGE	
CCOC(=O)CCN/C=C(\C=O)[N+](=O)[O-]	213978762	DEMNTFICJDXOKB-FNORWQNLSA-N	216.193	-0.154	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@@H](Cl)C#N	228520072	BIVDHGQSPWCRRD-RITPCOANSA-N	215.640	-0.536	50	10	BBGE	
NNC(=O)NC(=O)c1ccc(O)cc1O	238660962	CXRIXBVKROSCIT-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
CN(C)S(=O)(=O)N(C)CCOCCCl	300936250	CRSVBDIZBIBGIA-UHFFFAOYSA-N	244.744	-0.020	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](O)CC1	307036909	ONZCIICEYOUTRP-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
OC[C@H]1[C@H](CO)[C@H]2C[C@H]1[C@H](Cl)[C@@H]2O	307225611	DFIHVBUECDQBBC-QGMREWSDSA-N	206.669	-0.179	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@H](C)N)[C@@H](C)Cl	308466186	GKNNVNKQQPFWOG-NGJCXOISSA-N	222.672	-0.381	50	10	BBGE	
CCCN(CCO)Cc1nc(C(=O)NN)co1	387003578	QFNVJQKBLQVZNF-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
N[C@H]1C[C@H]1NC(=O)c1cnn(CCCl)c1	390117665	DBGLVJXOVWRHHI-JGVFFNPUSA-N	228.683	-0.049	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(CCC(=O)NN)[C@H]1[C@H]3C2	394367394	UBRJKKMSAJAHPJ-SRHMGVCXSA-N	239.319	-0.278	50	10	BBGE	
CCC(=O)c1ccc(C(=O)OC)cc1B(O)O	396137256	LJZDXUDEKJTZCH-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1cc(B(O)O)ccn1	405065770	VDWZYJUXRJCLTR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN1CCN(Cc2nnn(C)n2)C[C@@H]1CCl	687609779	GWGUPEWQCXIYTF-QMMMGPOBSA-N	244.730	-0.435	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCNC(=O)CC1	695103503	LYTGMXHTYBTMOB-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
Cn1nnnc1CN1CCOC[C@@H](Cl)C1	697691364	QFVNSEUBNSCKHC-ZETCQYMHSA-N	231.687	-0.350	50	10	BBGE	
CC1(C(=O)NN)CN(c2ccccn2)C1	698503820	JRLWDPPZCCIURE-UHFFFAOYSA-N	206.249	-0.102	50	10	BBGE	
OB(O)c1cccc(Cn2ccnn2)c1	699049142	JGNAEOHOZPRXCR-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCn2cncn2)c1	699670055	JWBFAFQJOZXKIJ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
NC(=O)NNC(=O)CCNC(=O)c1ccco1	700841548	PTINGVXZJQMUJI-UHFFFAOYSA-N	240.219	-0.901	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@@H]1CC[C@H](C(=O)NN)O1	703551507	JTHOCNBISDFJSL-RGOKHQFPSA-N	244.291	-0.425	50	10	BBGE	
NNC(=O)C(=O)N1C2CCCC1CCC2	707218025	HUVIUTSTVQVFTQ-UHFFFAOYSA-N	211.265	-0.090	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708095505	UTOZOKDWEPNKDY-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
CN(C)S(=O)(=O)N(C)[C@@H]1COC[C@H]1Cl	709087557	PIHCOVYSJTUQSN-RNFRBKRXSA-N	242.728	-0.269	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCCC(=O)O	719366504	YHRCMGOWQXJBLK-UHFFFAOYSA-N	245.279	-0.660	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C(=O)NN)C[C@@H](C)O1	724535514	UMYLMOWGLNVILK-ZMONIFLSSA-N	215.253	-0.952	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1Cl)C1=NCN=C1	725690801	VOUJOJXYTBGXAY-POYBYMJQSA-N	229.667	-0.018	50	10	BBGE	
COCCCNC(=O)NNC(=O)C(C)(C)OC	730773653	OHCYIXNRZYALRP-UHFFFAOYSA-N	247.295	-0.222	50	10	BBGE	
CNC(=O)NNC(=O)c1coc(C=O)c1	1292009657	DQAHJFXORRQHST-UHFFFAOYSA-N	211.177	-0.334	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnc(S)[nH]1	1306852857	HXKOHHCUPWUJLY-UHFFFAOYSA-N	225.237	-0.427	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(O)CCOC2)CC1	1545861386	BFSHDCVCTUFHIZ-NSHDSACASA-N	222.244	-0.180	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1cc[nH]n1	1632708346	GACOMKCKBNFCCS-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
C=CC(=O)NCCC(=O)NN(C)CCOC	1636379195	FVSNIUPWZOFCOW-UHFFFAOYSA-N	229.280	-0.712	50	10	BBGE	
C#CC(=O)NNc1nc(O)c2cnn(C)c2n1	1648556369	MRPNWFXMFYZGRQ-UHFFFAOYSA-N	232.203	-0.855	50	10	BBGE	
O=C1CN(C2CC(Cl)C2)C(=O)CN1	1881718410	GEFIVNDNZCLFLG-UHFFFAOYSA-N	202.641	-0.285	50	10	BBGE	
O=C(NC1([C@H](O)CO)CC1)OCCl	1882988294	HEANAXYPUHSEFM-RXMQYKEDSA-N	209.629	-0.205	50	10	BBGE	
Cn1cc(C(=O)NOCCCl)nn1	1883010162	KCMQQRSUGWXHDM-UHFFFAOYSA-N	204.617	-0.285	50	10	BBGE	
O=S(=O)(CCCCCl)NOCCO	1883025355	AIEGZZMKKSDFCR-UHFFFAOYSA-N	231.701	-0.151	50	10	BBGE	
CC[C@@](C)(C(=O)NCB(O)O)C(F)F	1887105525	KEWPDVNGMPDZMH-SSDOTTSWSA-N	209.001	-0.204	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H](C)O	1888561730	IGAJOXXWVAYDPT-ZCFIWIBFSA-N	224.282	-0.930	50	10	BBGE	
CCS(=O)(=O)N(C)n1nnnc1CCl	1888572664	YFQVRQIMFAHOAY-UHFFFAOYSA-N	239.688	-0.671	50	10	BBGE	
CC[S@@](C)(=O)=NCC(=O)NNC(C)=O	1892436165	KWMNUVGTMUNGOG-CQSZACIVSA-N	221.282	-0.729	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H]1Cl	1893461585	QKEPPSXUPQDPKW-YWIQKCBGSA-N	218.684	-0.466	50	10	BBGE	
Cn1cnc(CN[C@@H]2COC[C@@H]2Cl)n1	1894392767	APSOZVBMOYFBMR-NKWVEPMBSA-N	216.672	-0.089	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H](O)[C@H]1C2	1895517258	VGFCCMLFYQORKL-ZOZBQHSOSA-N	225.292	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCCO2)O1	1896930883	XHYKYKQOYKDWDF-BDAKNGLRSA-N	229.280	-0.449	50	10	BBGE	
CN(NC(=O)C1CC(N)C1)S(=O)(=O)C1CC1	1901348349	HLTGGXRVEFBQTP-UHFFFAOYSA-N	247.320	-0.821	50	10	BBGE	
OB(O)c1cc(F)ccc1OC[C@H]1CCO1	1901368339	KTUCVVSQRDIVSR-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1NC[C@@H]1C	1901377105	KFYNAYVWHQYJCA-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CN1CC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1902520694	DCKCVSJRHCCWSS-IUCAKERBSA-N	226.085	-0.987	50	10	BBGE	
CON(c1cc(B(O)O)c(F)cn1)C(C)C	1903009489	FYUCGZBZPPZYQG-UHFFFAOYSA-N	228.032	-0.323	50	10	BBGE	
COCCN(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909805274	NBEHYLWLZFZFOQ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](OC)C1	1928693791	HOPYUGFMOWHHNC-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
OCC[C@@H]1CN(C[C@@H](O)CCl)C[C@@H]1CO	1930350704	AFTAJIADGBAWSB-BBBLOLIVSA-N	237.727	-0.491	50	10	BBGE	
CN(CC(CO)CO)C[C@H](Cl)C#N	1930693778	VPJPOTGNYUTBRP-MRVPVSSYSA-N	206.673	-0.350	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CCS1(=O)=O	1930851858	CHULTPZFTKEMDB-NTSWFWBYSA-N	225.697	-0.083	50	10	BBGE	
CCN(CCC#N)CC1(C(=O)NN)CC1	1931266867	LHPOANXQHINTLI-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
NC(=S)NNC(=O)c1cnn(C2CC2)c1	1933228111	YQTFMUMULCYHEQ-UHFFFAOYSA-N	225.277	-0.304	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN([C@@H](C)C(=O)NN)C[C@@H]21	1935840560	VMJMZZGPKYTCRU-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
CC1(C)COCCN1CC(F)(F)C(=O)NN	1935945766	WLFRRYONCNYKQJ-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2CC1(CO)C2	1936082397	FCSIQCILDXYABD-UVCIYIGYSA-N	225.292	-0.931	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCOC1	1936091199	LORQAADSOFGMLO-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC(C)(C)CN(C)C	1936156668	WUCGHWQELJAHMM-SECBINFHSA-N	230.356	-0.116	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@@]2(CCl)C1	1937159104	DIADUWNEOYURFP-IONNQARKSA-N	241.682	-0.240	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CCC1(C)C)C(=O)NN	1939464440	IUPBZLSSSCQZRR-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CCn1nncc1CN(C)[C@H](C)C(=O)NN	1939602626	WLBUJDYURGPMCR-SSDOTTSWSA-N	226.284	-0.892	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CCC(=O)[C@H]2C1	1944397518	IPMBAKPMFGMEOQ-BDAKNGLRSA-N	239.275	-0.935	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC2(CCO2)CC1	1950986996	XIZMKRBQLGGDLN-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@@H](O)C1	1957318797	PSVNTVSFVCTIIV-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCC[C@@]2(CO)C1	1958414834	BKJOARPXSXPMTP-WPRPVWTQSA-N	213.281	-0.929	50	10	BBGE	
O=C(CCCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958775754	WBTALRBPQQNYAP-AKEJEFCPSA-N	233.695	-0.042	50	10	BBGE	
CN(C)C(=O)OC1CN(C[C@@H](O)CCl)C1	1960165074	YLRBDHRKSGGHJS-ZETCQYMHSA-N	236.699	-0.032	50	10	BBGE	
OB(O)c1cnc(N2CCCO2)c(Cl)c1	1961718421	ONDHMDLZRLELAP-UHFFFAOYSA-N	228.444	-0.444	50	10	BBGE	
COC(=O)NC1CN(S(=O)(=O)CCl)C1	1964009146	LKBLZYXYAJNYEQ-UHFFFAOYSA-N	242.684	-0.447	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CO[C@H](C)C1)C(=O)NN	1975825584	BPOFPLNNZHLGBM-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
CN(Cc1ncon1)C[C@H]1C[C@@H]1C(=O)NN	1976756697	XGOQIQUWAZFLBO-RQJHMYQMSA-N	225.252	-0.873	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)c1cc(O)ncn1	1979154691	VPCBZHFUHUZHNE-IYSWYEEDSA-N	243.650	-0.082	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCCC2COC2)[nH]1	1979801293	HXUZPVFXXYPDNB-UHFFFAOYSA-N	243.698	-0.107	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(O)CCOC2)CC1	1980668723	WRRXPSXCTWNGII-LLVKDONJSA-N	226.276	-0.512	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)C[C@H]1C)C(=O)NN	1981411044	GSXYYJWUGWODOX-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@@H]2C)c(B(O)O)c1	1981469300	QDXDJPIJGBCCQT-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
CN(CC(=O)NN)C1CC(n2ccnc2)C1	1985556826	VQFJZHYJMRJZSJ-UHFFFAOYSA-N	223.280	-0.492	50	10	BBGE	
C[C@H](O[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	1986234163	HYHSEZQUZATBQL-BIIVOSGPSA-N	225.252	-0.623	50	10	BBGE	
CC[C@@]1(C(=O)NCC=CB(O)O)CCCO1	1991328817	GMXQVFMNKIUENJ-JTQLQIEISA-N	227.069	-0.370	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)c1ccccc1	1998131551	WFLIGFTVXJJMAB-QMMMGPOBSA-N	237.020	-0.658	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1nnc(C)o1	2004408906	BUNSZVWWILWJPL-QMMMGPOBSA-N	241.295	-0.032	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H](C3)C2)nc1	2004920749	NCCIAIMHYUPUPT-DTORHVGOSA-N	233.080	-0.607	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC[C@H]1F	2006795505	SCQOSSNBMZCUJS-BDAKNGLRSA-N	239.059	-0.517	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CCO[C@@H]2C1	2012760101	BFPRRRXBUIQOQM-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)[C@H]1CCOC1	2019215260	UJWKGUFYXACENE-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
OB(O)c1ccc(O[C@H]2COCC2(F)F)nc1	2020349583	ZKZDFDGDZVGQHF-ZETCQYMHSA-N	244.990	-0.826	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)C1(C)CC1	2022199934	LUVRTXHTQGLJRJ-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
CCC[C@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	2022543405	GQTZGQUHJQSDLJ-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
COCC(COC)COCC(C)(C)C(=O)NN	2026065265	TUEIEUWQGQAJHR-UHFFFAOYSA-N	248.323	-0.072	50	10	BBGE	
Cc1nc(O[C@@H]2CC[C@@H]3C[C@H]32)ncc1B(O)O	2026071212	UIUPSOGJIDYREY-NQMVMOMDSA-N	234.064	-0.358	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)cc1OC	2060136945	KYFLBKJPSCGPTF-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
C[C@H]1OC2(Cn3cc(B(O)O)ccc3=O)CC1C2	2068636299	BEWXWEVPFBYSTA-YDNLMGDJSA-N	249.075	-0.904	50	10	BBGE	
C=CC1(O)CN([C@@H](C(=O)NN)c2ccccc2)C1	2074505059	SJXVBMHUPMVPFP-LLVKDONJSA-N	247.298	-0.050	50	10	BBGE	
C[C@H]1C[C@@H]2CC[C@H](C1)N2c1ncncc1B(O)O	2084418307	SECMJLWZMGOYJU-OWUUHHOZSA-N	247.107	-0.076	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CSCC(N)=O	2209905369	AXGIIKCDAANQTM-RITPCOANSA-N	217.294	-0.779	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211827291	DMCLHENPPXBLEF-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
Cc1ccnn(C[C@@H]2CC[C@H]2C(=O)NN)c1=O	2215777749	UZGPRQUEULDVSW-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@@]1(F)CCOC1	2216338341	OZNOYHLHPPOGTH-NSHDSACASA-N	245.298	-0.183	50	10	BBGE	
O=c1c(B(O)O)cccn1CCCCC(F)F	2216502039	YBMQJRDXOPWOJH-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C23CCC3)CCC1	2216534589	PJFLKQMYRBSSDD-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
CC1CC(N)(COc2ncccc2B(O)O)C1	2217168049	WLHQBSFABKWBMX-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
COC[C@H](Nc1ccc(B(O)O)cn1)C1CC1	2217173714	TULSNUJIMRPCMT-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CCO)CCN=c1ccc(B(O)O)c[nH]1	2217174128	WGUKHZXYJBPMHP-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
CC[C@@H](C[C@H](C)O)Nc1cc(B(O)O)ccn1	2217178002	PXEGZADDFANMHS-WPRPVWTQSA-N	238.096	-0.277	50	10	BBGE	
CCC[C@H](O)CCNc1ncccc1B(O)O	2217179024	FGVHNEMDJQGOCO-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccnc(N2CC=C(F)CC2)c1F	2217182198	ADFNXVLGNFXMFT-UHFFFAOYSA-N	240.018	-0.036	50	10	BBGE	
NCC[C@@H](Oc1ncccc1B(O)O)C1CC1	2217183163	GMWGBWGCRMJYBK-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC=CC[C@H]32)nc1	2217199094	KAFNIKUYXBADSU-PSASIEDQSA-N	231.064	-0.689	50	10	BBGE	
NCC1(Nc2cc(B(O)O)ccn2)CCCC1	2217200950	WDCOYHYRYLMDAT-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
Cc1nc(CNc2ncccc2B(O)O)co1	2217203323	SOEODXGFWDOAHG-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCOC[C@H]32)c1	2223627701	NCLCNCDDHHWDNY-HBNTYKKESA-N	248.091	-0.544	50	10	BBGE	
CCc1ncc(CNc2cc(B(O)O)ccn2)[nH]1	2223636104	FUEBKONWVOLHLA-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@]12COc1cc(B(O)O)ccn1	2223652205	CTPCRXCUPNOZTG-HLUHBDAQSA-N	248.091	-0.732	50	10	BBGE	
CNC(=O)c1scc(B(O)O)c1Cl	2241474458	DHYWTHCWTQQUGM-UHFFFAOYSA-N	219.458	-0.559	50	10	BBGE	
CC[C@@H](C(F)F)n1ccc(B(O)O)n1	2242503940	ZHSACYNJFTWHLA-YFKPBYRVSA-N	203.985	-0.221	50	10	BBGE	
N[C@@H]1C[C@@]2(NC(=O)C=CC(=O)Cl)CO[C@H]1C2	2243278445	YNALASRPJYZMMN-FWWHASMVSA-N	244.678	-0.317	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ccoc1B(O)O	2243350061	UYKJCMJPCBKSGX-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)CC=CCC1	2243357040	QIFQVGOHWGCYRI-LLVKDONJSA-N	221.065	-0.136	50	10	BBGE	
CCON(CC)C(=O)c1occc1B(O)O	2243358827	LDKCXAZCABOULF-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC2CC1C2	2243361917	JBHCSDDPZDDKCM-UDNWOFFPSA-N	221.065	-0.351	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1C[C@H](O)C1	2243363737	LCQOKQSYGWAWQA-ZKCHVHJHSA-N	227.069	-0.635	50	10	BBGE	
CN(O)C(=O)c1c(F)cc(B(O)O)cc1F	2243367205	PJIUZZBDOJVASV-UHFFFAOYSA-N	230.963	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H](CCO)C1	2243391766	OASPFUKLFHSOCF-VGMNWLOBSA-N	227.069	-0.920	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243395873	DFLSZXMUYCOWTM-HRDYMLBCSA-N	226.085	-0.811	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2CSC[C@@H]2C1	2243399941	SRPTVAPUCOAEGG-YUMQZZPRSA-N	239.105	-0.740	50	10	BBGE	
O=C(NCC1CCC1)c1ccc(B(O)O)s1	2243407427	RNMDQRZUAZYQLL-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CSC[C@H](C)NC(=O)c1occc1B(O)O	2243411435	TWPQJLRHEVCKPI-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
C=C(CS(=O)(=O)NC1CCCCC1)B(O)O	2243412238	IWSJRICUYMEBKP-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243416750	MLXGQVUHXJTMBG-LURQLKTLSA-N	227.069	-0.610	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2243751733	AFZHFGRSHKRPNA-LURJTMIESA-N	229.041	-0.685	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCNC2)ncc1Cl	2245913295	OYEOTTVJLMCZNT-ZCFIWIBFSA-N	242.471	-0.845	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@@H]1CCO1	2246211707	UBSWISSYSOVDCP-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
C=CC1(NC(=O)c2coc(B(O)O)c2)CCC1	2247734335	SCTROQKDMDIHSF-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1ccc(B(O)O)o1	2247738671	UGGMUNMGBISOHL-QMMMGPOBSA-N	235.048	-0.368	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)c[nH]1	2247742292	MYBAXDPXOIBDFT-OCAPTIKFSA-N	236.080	-0.293	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC=CCC1	2247742533	PZRGDLONVYXNBU-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccoc1B(O)O)C2	2247747964	VPZDSSSELAFKJQ-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2occc2B(O)O)C1	2247753837	KAKQFSYNWKITGG-HDKIZWTHSA-N	241.027	-0.420	50	10	BBGE	
CC(C)[C@@H](C)[C@@H](N)CNC(=O)C1(B(O)O)CC1	2247757355	QERHSQJEZLVWQD-BDAKNGLRSA-N	242.128	-0.271	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@]2(O)C[C@H]2C1	2247786767	GHSQFGQAASWUNZ-CKEKPRIKSA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247787692	SKSUOZZGGUFXGN-QEYWKRMJSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790998	KMPCCLXRTIFHRK-AXTSPUMRSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1NCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247799590	FUZLREZTBYCQLR-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807010	GXYVBOHDEJFFQP-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@H]1CCOC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809263	OKYQFBBULRXECR-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
C/C=C/CCCNC(=O)c1cc(B(O)O)c[nH]1	2247849176	WNMUHINZFDSTLX-NSCUHMNNSA-N	236.080	-0.219	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCC[C@@H](O)C1	2247851989	NAALBGQNALSFNS-VHSXEESVSA-N	239.080	-0.941	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1O)C1(B(O)O)CCC1	2247853069	FYLCESBAZQRJBJ-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)[C@H]1CO	2247853574	OGQPMIRFRQVPAM-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)C1(B(O)O)CC1	2247871364	AFFJMQSKDNTGED-AYMMMOKOSA-N	238.096	-0.607	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1(B(O)O)CCC1	2247877386	AEEBMRGJSIMEHU-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
O=C(NCCC1CC(O)C1)C1(B(O)O)CCC1	2247878684	MDUBYYVUJDNXDH-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247886077	WWOCFYIHBKXRNW-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1COCC1(F)F	2247886999	JBEAVXCIWBVMKV-VQVTYTSYSA-N	249.022	-0.658	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247896393	YZTWGINLMURMKF-KATARQTJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CNC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898061	AAPUAPHBCFBIKG-SGIHWFKDSA-N	240.112	-0.789	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)C1(F)CC1	2248252263	IGIQQMLKIXWMMI-UHFFFAOYSA-N	241.990	-0.659	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)C1(B(O)O)CCC1	2248576363	FZTRITYASKVIBI-NKWVEPMBSA-N	241.052	-0.543	50	10	BBGE	
O=C(O)C[C@@H]1CCN1C(=O)C1CC(B(O)O)C1	2248588447	CTWSHNKJGWQIAL-RRQHEKLDSA-N	241.052	-0.685	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1F)C1CC1	2248958195	BGKXOWYHXMUWGW-UHFFFAOYSA-N	237.039	-0.468	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)C)C[C@@H](C)O	2250542643	KBPKOSSEBKZPPH-ZJUUUORDSA-N	247.339	-0.670	50	10	BBGE	
OB(O)c1cccnc1OC1(C2CC2)COC1	2250823391	YZZDLVGUCJDVMS-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC(C)C1	2251793758	YUXUDKAKEDZATI-QMFGVRBNSA-N	241.096	-0.219	50	10	BBGE	
CN(Cc1ccc(=N)[nH]c1)C(=O)C1(B(O)O)CC1	2255487763	URLRRYCLDJHRNG-UHFFFAOYSA-N	249.079	-0.540	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ncccc1B(O)O	2255692490	VTOZUCLRKWKSED-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
CC#CCCNC(=O)c1ncc(B(O)O)cc1C	2257488479	WOUBFMBIYOLIOX-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3ncncc3B(O)O)C[C@H]12	2297850396	QPUSNSIJDFZWGD-DJLDLDEBSA-N	233.080	-0.751	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)CN1C	2298180035	IGXUEIPXNKYNJN-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC=C[C@H]1CO	2300365590	ACWABJZBVGXBIF-GARJFASQSA-N	239.319	-0.375	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)C1CC(O)C1	2300385692	XFFXDXQALNKUED-IDWGSYCQSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN(CCO)C1CC1	2300395543	CZLPBAAEPQAJEZ-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H](O)C1	2301341760	SLYWTIPFRJHJIQ-MGCOHNPYSA-N	232.048	-0.827	50	10	BBGE	
C=CC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2301451986	AUPMAMIOLXBGOG-UHFFFAOYSA-N	231.060	-0.199	50	10	BBGE	
C[C@@H](CN(C)C)N(C)c1ncccc1B(O)O	2306887120	UEPUKYKDNWGMTD-VIFPVBQESA-N	237.112	-0.852	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(B(O)O)o1	2312848182	SOIOOAXAPUOJJF-DJLDLDEBSA-N	247.059	-0.346	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2C=C[C@@H]1C2	2312856742	OFFIWDBXOVNDMX-PSASIEDQSA-N	246.075	-0.515	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(CN)CC1	2317167301	GBWRFVIEXCAGSO-UHFFFAOYSA-N	245.091	-0.611	50	10	BBGE	
CC[C@@](C)(CN)Oc1ccc(B(O)O)cc1C#N	2317209862	WRKQBHKWPIMHNF-LBPRGKRZSA-N	248.091	-0.256	50	10	BBGE	
CC(=O)NNC(=O)Cn1c(C)ccc(C#N)c1=O	41604778	ZGEIGYGEEGSZLQ-UHFFFAOYSA-N	248.242	-0.804	50	10	BBGE	
C[C@@H](Cc1ccsc1)NC(=O)C(=O)NN	49188631	OGMUCCAWIIJZRR-LURJTMIESA-N	227.289	-0.215	50	10	BBGE	
NNC(=O)CCCn1ccn(C2CC2)c1=O	87667126	XNVRXCZMXYQJER-UHFFFAOYSA-N	224.264	-0.245	50	10	BBGE	
O=C(C[C@H]1C=CCC1)NNC(=O)c1c[nH]nn1	104644763	PMFCRGCJOXRJRU-ZETCQYMHSA-N	235.247	-0.078	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	111152474	ONYJBYXZFVLNOU-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](CCO)C1	159980114	HHYHJDONHOYZAN-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(O)CCCC[C@H]2C1	161967743	OQNMDSLRYXZOAF-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](N)C(=S)N1CCC[C@H]1B(O)O	169954382	ZEMFLZQUUHJMGT-WDSKDSINSA-N	202.088	-0.863	50	10	BBGE	
CC1(C)Oc2c(B(O)O)cccc2[C@H]1O	196585823	OUGGVUHBAOIFTI-SECBINFHSA-N	208.022	-0.429	50	10	BBGE	
O=c1ccn(C[C@@H](O)CBr)c(=O)[nH]1	197317896	SAMLCZQFPZVGBY-YFKPBYRVSA-N	249.064	-0.708	50	10	BBGE	
CC[C@@H](OCCOCCCOC)C(=O)NN	232205962	COMFAURKERNUQW-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)CSC	232420702	ZAVVPPBKKZMRAP-YUMQZZPRSA-N	235.353	-0.325	50	10	BBGE	
NC(=O)NN[C@H]1c2ccccc2C[C@H]1O	238590737	UKDAZKJHJLBDJN-BDAKNGLRSA-N	207.233	-0.182	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@H]1CO	251348769	QEQRKHJPTWEUBO-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1C(=O)NC	251402888	ZXRXWPADZRQSIW-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@H](O)C1	300047535	KMECKTVTWYJIBH-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)CCl)C1=O	306203335	MIZUUSIVXRLYES-LURJTMIESA-N	204.657	-0.086	50	10	BBGE	
CNC(=S)NNC(=O)[C@H]1CCOC1	307746860	WVDPHJSKNZVGKG-YFKPBYRVSA-N	203.267	-0.852	50	10	BBGE	
C[C@H](Cl)c1cnnn1C[C@H](O)CO	308147342	OYNQUFCBKBTZEA-WDSKDSINSA-N	205.645	-0.069	50	10	BBGE	
CO[C@@H](CN)C(=O)NCC(Cl)Cl	379321425	CBKDXSABKHGIEG-BYPYZUCNSA-N	215.080	-0.120	50	10	BBGE	
CC(=NNC(N)=O)[C@@H]1SC(=N)NC1=O	383965987	KIWYMKUBSDXXLW-VKHMYHEASA-N	215.238	-0.803	50	10	BBGE	
CN=c1[nH]nc(S[C@@H](C)CC(=O)NN)s1	385256408	RJIOFOVLEXOGSU-BYPYZUCNSA-N	247.349	-0.138	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSCC[C@@H]1C	385752895	PNLMYLXACNTEMB-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
O=c1nc(CCNS(=O)(=O)CCl)[nH]o1	392238259	VGGLRUVJEHOPKV-UHFFFAOYSA-N	241.656	-0.979	50	10	BBGE	
N#Cc1c(CO)ccc2scc(B(O)O)c12	396227957	UGZCBBBTFDKDON-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc2sc(B(O)O)c(CO)c2c1	396237965	DPGYHPIQCGBCPN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc2c(B(O)O)cc(C=O)cc2s1	396244882	BHBPZZUGTHEYNE-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1c(O)ccc2scc(B(O)O)c12	396348246	UHTLNPMWYZOGIY-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CC2)C[C@H]1C	402803478	YFCZTXPLFYLOAJ-VHSXEESVSA-N	240.351	-0.077	50	10	BBGE	
CCOCC(=O)Nc1ccc(B(O)O)c(C)c1	405015888	TYOJGPJOUGSQEG-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1cccc(B(O)O)c1	405053701	JVCXZKRZXQLUJH-LDYMZIIASA-N	233.076	-0.361	50	10	BBGE	
C=CCOCc1c(C(=O)NN)cnn1C	408717425	ZUPBQAMSFJVWQO-UHFFFAOYSA-N	210.237	-0.274	50	10	BBGE	
Cn1ncc(NC(=O)C(=O)NN)c1Cl	606286666	SDGBTJOMXOZVOH-UHFFFAOYSA-N	217.616	-0.998	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC12CCOCC2	689972182	AEWONEMDUOBBRN-LURJTMIESA-N	213.237	-0.497	50	10	BBGE	
CO[C@H](Cn1cc(B(O)O)cn1)c1ccccc1	694547309	DDEVWJYANRQBHU-GFCCVEGCSA-N	246.075	-0.049	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=O)nc(Cl)n1	700858334	HIUBWXRWOWHMCD-UHFFFAOYSA-N	229.627	-0.248	50	10	BBGE	
C[C@H](CN1C[C@H]2CN(C)C[C@]2(C)C1)C(=O)NN	702405240	LFEDFVXVLADMIX-CKYFFXLPSA-N	240.351	-0.504	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H](O)C(F)F	703411776	MWAQYPCDVIURTI-HSUXUTPPSA-N	235.186	-0.471	50	10	BBGE	
NC(=O)CCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703457620	MMEKKGFHUOBEDG-BQBZGAKWSA-N	226.232	-0.832	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2Cl)nn1	706687071	MMYKGBFLLWZSTN-RNFRBKRXSA-N	244.682	-0.059	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707280387	ZBWWAYPEIXEMRU-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)CCl	709351786	HWMYRKAMESTCKC-UHFFFAOYSA-N	204.617	-0.624	50	10	BBGE	
Cn1c(/C=C\C(=O)Cl)cc(=O)n(C)c1=O	714517181	CFOYUCFVXLKMGI-ARJAWSKDSA-N	228.635	-0.137	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CC(C(N)=O)C1	716707914	VNPHDTFYRQTHLA-IISSFJTQSA-N	204.657	-0.006	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723698393	ZQJMZFWBLIIAJE-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
CCC(Cn1cncn1)=NNC(=O)COC	794519617	CSEKICNNRJNKNL-UHFFFAOYSA-N	225.252	-0.193	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)NCCF	798061699	FASJVEWMQACKBJ-UHFFFAOYSA-N	240.238	-0.076	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1cnn(C)n1	805204786	JNYHCPZLSKDEDY-BQYQJAHWSA-N	235.247	-0.125	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)[C@H]2CCCO2)CCOC1	817214200	BGAGIPJCRUGWEW-KCJUWKMLSA-N	242.275	-0.261	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1nnn(C)c1C	887144147	COVJBLONVJALRU-UHFFFAOYSA-N	249.274	-0.312	50	10	BBGE	
C[C@H](CCN(C)C)C(=O)NNC(=O)C(C)(C)O	1296524928	RXHDAEZTZJPLGA-MRVPVSSYSA-N	245.323	-0.508	50	10	BBGE	
O=C(CCl)NC[C@@H](O)[C@H]1CCCO1	1351743691	YKBCGINFQLLIOO-RNFRBKRXSA-N	207.657	-0.119	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1ccncc1	1540409936	XSKSDTLLFUBNHT-PKRMOACSSA-N	235.243	-0.220	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\[C@@H]1CCOC1	1543664317	MPMWMJZIKBSRRF-SKRYNEFJSA-N	213.237	-0.461	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cnn(CCO)c1	1567458754	MICFWGALLMXCQP-UHFFFAOYSA-N	247.258	-0.551	50	10	BBGE	
N[C@@H]1COC[C@H]1NC(=O)/C=C/C(=O)Cl	1878148818	NHEOKCSWJONHAU-IYTQHBPKSA-N	218.640	-0.850	50	10	BBGE	
NS(=O)(=O)CCNC[C@@H]1C[C@@H]1Cl	1881365687	NFXVFEZZKWJJQH-WDSKDSINSA-N	212.702	-0.508	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@H]1C[C@H]1Br	1883531114	MGNVELDCYNEDBG-WNJXEPBRSA-N	249.108	-0.781	50	10	BBGE	
N[C@@H]1CCO[C@@H]1C(=O)NC1CC(Cl)C1	1884411393	BTRVAGQGNIKNAQ-CRYROECRSA-N	218.684	-0.011	50	10	BBGE	
CCN(C)CCN1CC[C@@H](B(O)O)C1	1891517184	MCNPTQDLSNQOMJ-SECBINFHSA-N	200.091	-0.513	50	10	BBGE	
C[C@H]1CCN1Cc1nc(B(O)O)cs1	1891796065	ISDHECLGNRZIGO-LURJTMIESA-N	212.083	-0.583	50	10	BBGE	
C[S@](=O)N[C@@H](CBr)C(=O)O	1892019995	MKOPOBDTGLNDTM-RBIRDRSCSA-N	230.083	-0.282	50	10	BBGE	
O=C(N[C@]1(CO)CCOC1)[C@@H]1C[C@@H]1Cl	1893446642	POAJSXPODMBBJI-FJXKBIBVSA-N	219.668	-0.119	50	10	BBGE	
O=C(O)[C@@H](O)CCNC(=O)[C@@H]1C[C@@H]1Cl	1893475451	UJYHVIVOSUORKX-SRQIZXRXSA-N	221.640	-0.435	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)C[C@@]12CCOC2	1894245750	WPYWHUKHMPGERV-GMSGAONNSA-N	227.264	-0.854	50	10	BBGE	
CN(Cc1nnn(C)n1)S(=O)(=O)CCl	1894759685	GOZMBOMJZMADHN-UHFFFAOYSA-N	239.688	-0.832	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cnsc1B(O)O	1900466092	AWMZYPVJVYJCGT-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
CC[C@@](C)(CN1[C@@H]2COC[C@H]1C2)C(=O)NN	1902716627	VKGPNSTVMOHFRQ-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
Cc1scc(C(=O)N[C@H]2C[C@H]2F)c1B(O)O	1902860089	QGGIEGYKADPCSI-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@H]3C2=O)C1	1908359162	SMGXUEUOPKWLJH-QCLAVDOMSA-N	237.303	-0.129	50	10	BBGE	
Cn1nccc1C=CC(=O)NNC(N)=S	1911736612	DHAACSZZJKFPBB-UHFFFAOYSA-N	225.277	-0.702	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)S(=O)(=O)C1CC1	1913794528	CBYPGIJCRKAPRW-SVRRBLITSA-N	247.320	-0.964	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@H](O)CN)CC1	1917084675	OGZAHPMWNRPDPA-VIFPVBQESA-N	209.249	-0.622	50	10	BBGE	
COC[C@H]1CC[C@@H](N(C)C(=O)C(=O)NN)C1	1918717252	IPYJRTHROPKFOZ-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
CN(C)CCN(C)C[C@H]1C[C@H]1C(=O)NN	1927914192	RIAYMYUNGNFHAR-RKDXNWHRSA-N	214.313	-0.894	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1927915594	IRYHGIWYTNAMCD-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CO2	1927916102	CDNLUZMDIJHIKK-XAVMHZPKSA-N	211.265	-0.915	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCN(C)C1CC1	1928247811	DGAIQVCOCQSXJS-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N2CCC2)C1	1932053061	NALJFSAOKOTZBA-VIFPVBQESA-N	212.297	-0.855	50	10	BBGE	
O=C(NCB(O)O)c1coc(C(F)F)n1	1932907053	ZAZIBAWZCPWAJT-UHFFFAOYSA-N	219.940	-0.646	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1CNC[C@H](O)C1	1934304185	AYKSAFWOWCXFMO-PHDIDXHHSA-N	241.118	-0.123	50	10	BBGE	
CCOC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936093184	BLNJBBSCXRLPBI-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1OCCN(CCOCC(=O)NN)[C@H]1C	1936527998	DIIMLKUQNCOPKT-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CCC1=O	1937410396	RUIBUVWCDNMWFV-UHFFFAOYSA-N	223.232	-0.076	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccn(C2CC2)c1=O	1940896628	VIQSQRFYWRGXCT-UHFFFAOYSA-N	246.217	-0.390	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1941085716	FJUXGMLLULRLKA-NAKRPEOUSA-N	238.335	-0.609	50	10	BBGE	
CC(C)(O)[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941094451	MJWJAXHLQTWUAN-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCCC[C@@H]21	1943002846	NRCSLYVPTANCIW-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
COC[C@](C)(CO)N(C)CC1(C(=O)NN)CC1	1945882162	CRSTVIMOXDFAQJ-JTQLQIEISA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1cncc(B(O)O)c1	1947083661	NMTRNMZFOUJOCT-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
COC(=O)c1cccc(B(O)O)c1C#N	1951321934	NKXKRLYHHVGYJQ-UHFFFAOYSA-N	204.978	-0.975	50	10	BBGE	
CCCOC1CN([C@@H](C)C(=O)NN)C1	1955280483	VIEVTKOEBAWJBQ-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(CO)(CO)C1	1955571774	KTZCIOJJGUZQPP-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
COC1C(C)(C)C(N)(B(O)O)C1(C)C	1956721885	HRZDOEQSGWKUCM-UHFFFAOYSA-N	201.075	-0.223	50	10	BBGE	
OB(O)c1cc(Cl)cnc1OC1CC1	1956953658	CNLUYFWBBBPOFT-UHFFFAOYSA-N	213.429	-0.044	50	10	BBGE	
O=C(CCl)NCC1[C@@H]2CS(=O)(=O)C[C@@H]12	1957245719	NYXXULDMDDXMQU-BQBZGAKWSA-N	237.708	-0.368	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CCC1	1961675628	GGGUTIBHWSWLKD-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
CC1(F)CCC(NC(=O)C(=O)NN)CC1	1962144294	XYUZVPAWPDPOSF-UHFFFAOYSA-N	217.244	-0.237	50	10	BBGE	
CN(CCC(=O)NN)CC1[C@H]2COC[C@H]12	1962322265	MKCXGSMPICTBBZ-RKDXNWHRSA-N	213.281	-0.809	50	10	BBGE	
NNC(=O)CN1C[C@@H](C(F)(F)F)CCC1=O	1964301894	WAPVYDAJXDQJNC-YFKPBYRVSA-N	239.197	-0.223	50	10	BBGE	
CN1C(=O)NCC12CN(C[C@H](O)CCl)C2	1974907382	DPDRYNOOEPEDLJ-SSDOTTSWSA-N	233.699	-0.705	50	10	BBGE	
COC[C@H]1CCOCCN1[C@H](C)C(=O)NN	1977065856	LZASLAOUBXXPIR-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)[C@H](C)C1	1977147698	SKICDRKXABRTEY-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@@](=O)[C@@H](C)C1	1981188077	NMYLMFVQXURVNR-AGRCIMAESA-N	247.364	-0.402	50	10	BBGE	
CC1(C)CCN(c2ncncc2B(O)O)C1	1981414483	SFDNSUDAJHDBKO-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1ncccc1B(O)O	1981425833	KVTLBZYEISVTFB-WPRPVWTQSA-N	220.081	-0.004	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2C[C@H]2C)n1	1981425851	KXHUFVBDRDTPNN-SVGQVSJJSA-N	222.053	-0.440	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)c2nc(B(O)O)cs2)C1	1981472640	SFABWFRMQSWDNX-KNVOCYPGSA-N	242.109	-0.564	50	10	BBGE	
CCC[C@@H](C)Cn1cccc(B(O)O)c1=O	1984101286	KIZUBBNLJXUZEB-SECBINFHSA-N	223.081	-0.036	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2COCC[C@H]21	1989935889	MCJGPIJZNSVIQB-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@H]1C1CC1	1990725490	LELMGKLEZVNPBQ-SFGNSQDASA-N	227.308	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(c2ccn(C)n2)C1	1990725506	LJEALNMINKMRJN-SSDOTTSWSA-N	223.280	-0.802	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C2COCC1COC2	1991712440	HPPAAIZQQJBFOU-OWOJBTEDSA-N	245.662	-0.066	50	10	BBGE	
NNC(=O)CCCN1CCC([C@H](F)CO)CC1	1999599595	UYCZSCQHNHJYQG-SNVBAGLBSA-N	247.314	-0.201	50	10	BBGE	
C[C@@H]1CCCN(c2ncc(B(O)O)cn2)CC1	2004912158	PKLIISDSKXDHDZ-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2CCCO2)n1	2004932165	RHZHMSVMHDGXTC-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](CO)C12CC2	2016080608	ONBBZEIKEHBZQT-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)COCCN(CC1CC1)C1COC1	2018186384	BJFNRBRDFQHZTL-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](CO)N(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018243529	UJLJTAJTYVTSQJ-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
O=C(N[C@@H]1CCOC1)N[C@@H]1CCC=C1B(O)O	2020062828	UUPWOIUUVWKAFK-VXNVDRBHSA-N	240.068	-0.825	50	10	BBGE	
COCCN(CC(=O)NNC(C)=O)C1CCC1	2020640354	CZOZWZJGPCIXHV-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
O=C(C[C@@H]1CCC[C@H]2C[C@H]12)NCC#CB(O)O	2021110131	PBYRGAUCRAWHEF-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1ncccc1B(O)O	2025663402	VDHZGWZZVATJNZ-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cocn2)c1	2031814866	JWQNWKOTATYJPW-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCCc1cnn(-c2ncc(B(O)O)c(C)n2)c1	2052597190	HCJUVAOYFVUPQE-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
OB(O)c1cnc(-n2ccc(C3CC3)n2)c(F)c1	2052599499	IESNNZUUULVOTD-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)ncc1B(O)O	2053735557	MAIQMQMDLHVDHJ-CKEKPRIKSA-N	245.091	-0.691	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@](O)(c2ccccc2)C1	2057333976	UMCRUFANELKLDO-GFCCVEGCSA-N	249.270	-0.904	50	10	BBGE	
CCCOc1c(B(O)O)c(C)nn1CC	2059997230	FECXXMCNARTDJS-UHFFFAOYSA-N	212.058	-0.320	50	10	BBGE	
CCOc1cc(B(O)O)cc(C)c1C#N	2060202739	MUABUHDMNWKSLR-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1cc(C#N)c(C=O)cc1B(O)O	2060237433	LOTUHPHOLNYWCD-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
COc1c(OC(F)F)ccc(B(O)O)c1C#N	2060291176	NYADUFOQMINOEC-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(C)c1B(O)O	2060379414	ZMZNJUKADYQFMY-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1ncnc(-n2ccnc2C(C)C)c1B(O)O	2065920124	SRLAPPSMCXDYAY-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
C=CC1(O)CN([C@H](C(=O)NN)c2ccccc2)C1	2074505060	SJXVBMHUPMVPFP-NSHDSACASA-N	247.298	-0.050	50	10	BBGE	
Cc1nnccc1C(=O)N[C@@H]1CCC=C1B(O)O	2076083418	CSXROWSPSKBCTG-SNVBAGLBSA-N	247.063	-0.384	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cccc(B(O)O)c1	2079011776	JDKMJPMOAHJWAB-VIFPVBQESA-N	246.075	-0.212	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2210374803	QGXCJKUBDKRIFT-REIXXSIJSA-N	227.308	-0.400	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210696301	XELHSTNQJFNATP-DJLDLDEBSA-N	233.287	-0.450	50	10	BBGE	
CN1CC[C@H](COC[C@H]2C[C@H]2C(=O)NN)C1	2211766774	JVUPDXLOJPYVBF-IVZWLZJFSA-N	227.308	-0.419	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1ncccc1B(O)O	2212604951	VFBVOXZRAFRCTE-SFYZADRCSA-N	224.069	-0.403	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2212605722	JEFCNUKLVWFZQO-BQBZGAKWSA-N	226.016	-0.900	50	10	BBGE	
C[C@H]1C[C@]1(F)CNc1ncc(B(O)O)cn1	2212612969	QKRFYVKTDJXAAC-RCOVLWMOSA-N	225.032	-0.684	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215775667	IJZZQCKLHDGCRI-YIZRAAEISA-N	241.291	-0.750	50	10	BBGE	
CC[C@H](N)CCOc1cc(B(O)O)c(C)cn1	2217172116	IIEHQJVMGMIASY-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1ccnc(N2CC(F)(C3CC3)C2)c1	2217172513	KPDBSHSUZFISGS-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217175570	KSMCQIATRFPXLP-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)C[C@@H]1C	2217183821	OJOTYQSEYJKWHV-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1ccnc(NCC2=CCOCC2)c1	2217184802	WMPWEKRUEZIYPN-UHFFFAOYSA-N	234.064	-0.480	50	10	BBGE	
C[C@@](CN)(Oc1cc(B(O)O)ccn1)C1CC1	2217193015	QZZUATLUUMVFMJ-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
COCC(C)(C)CNc1cc(B(O)O)ccn1	2217195908	OHSOGCDAOLSLRB-UHFFFAOYSA-N	238.096	-0.154	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@H]1O	2217200744	LOIQZBHBKGQYHF-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)Nc1cc(B(O)O)ccn1	2217203573	XEPCNKXTZNFZCJ-KWQFWETISA-N	238.096	-0.421	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)cnc2=O)C1	2217409819	XIUUDOJYLFGJAA-RKDXNWHRSA-N	236.080	-0.641	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1-c1cc(B(O)O)ccn1	2223608557	DENUGSBHWFBUJW-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@H]3COC[C@@H]3C2)c1	2223627706	NFQRDGXJWXTNOJ-IUCAKERBSA-N	248.091	-0.402	50	10	BBGE	
O=c1cc[nH]c(CNc2ncccc2B(O)O)c1	2223632844	OOXITYYWPDPNAR-UHFFFAOYSA-N	245.047	-0.938	50	10	BBGE	
OB(O)c1cccnc1NCCN1C[C@H]2C[C@H]2C1	2223634379	JYQKETZQDQZTSL-AOOOYVTPSA-N	247.107	-0.875	50	10	BBGE	
Cc1cnc(CNc2cc(B(O)O)c(C)cn2)o1	2223650006	GYULHCWIBZJDLD-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3CNC[C@@H]32)c1	2223654887	UBGDALLQAGKXJR-INTQDDNPSA-N	248.091	-0.862	50	10	BBGE	
CCO[C@H]1C=CCN(c2ncccc2B(O)O)C1	2223670516	ZDHJAXUHQHQBOE-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
C=CCNC(=O)c1cscc1B(O)O	2241472657	VNWKLWGDEFIHMQ-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
O=C(C#CB(O)O)NCCCC(F)F	2241478571	IBWMDRSCICMLKY-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
CN(Cc1cocn1)C(=O)C1(B(O)O)CC1	2243365871	UFANZIWTZYAMMG-UHFFFAOYSA-N	224.025	-0.360	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CCCN2)s1	2243382727	RBYWGZXXEGJRSB-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C=COCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392208	RZSCUHNPCQSEIT-KYZUINATSA-N	227.069	-0.094	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)[C@@H]1C[C@@H]1B(O)O	2243404976	XOUJJAVUZIQPBH-VGMNWLOBSA-N	227.069	-0.874	50	10	BBGE	
O=C(NCCC(F)F)c1cscc1B(O)O	2243411760	ZPRXMVDLCXDWIK-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
CC(C)[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415183	PVAUCIUUTOPDKD-YIZRAAEISA-N	229.085	-0.628	50	10	BBGE	
NC[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243416544	LCOQZTVFWQFEDB-VATVDVGSSA-N	226.085	-0.907	50	10	BBGE	
O=C(NCCC(F)F)c1cocc1B(O)O	2244209451	AYBDORXIORYDME-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
Cc1nc(C(=O)NCCC#CB(O)O)cs1	2244546193	IFASCVBBPMCQNL-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)C1(B(O)O)CCC1	2247722142	KFUDKRKCDCOWQT-UHFFFAOYSA-N	237.068	-0.235	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@@H]1C[C@@H]1C	2247732756	IXXUZYZSDYFMMX-IMTBSYHQSA-N	237.064	-0.252	50	10	BBGE	
CC(C)[C@@H](COC(F)F)NC(=O)C#CB(O)O	2247747692	REMSZYMOVUBLOQ-SSDOTTSWSA-N	249.022	-0.618	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1occc1B(O)O	2247751376	WXDFGTSCKXFABW-KWQFWETISA-N	237.064	-0.122	50	10	BBGE	
O=C(N1C[C@H]2[C@H](O)C[C@H]2C1)C1(B(O)O)CCC1	2247754336	FRJIXSCZKHYFIB-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
CCN(OC)C(=O)c1ccc(F)c(B(O)O)c1	2247760377	HGOUOGBBZIZJDO-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CN)CCCC1	2247791419	MYGYEWJBSGFBEN-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
COC(=O)[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247800431	OZHPESYKAUHAIJ-GJMOJQLCSA-N	243.068	-0.883	50	10	BBGE	
O=C(NCc1ccccn1)C1CC(B(O)O)C1	2247804751	IGRBXTKVMDQFPB-UHFFFAOYSA-N	234.064	-0.049	50	10	BBGE	
CCCCN(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247807752	JAWFQURVUFBTTR-MGCOHNPYSA-N	243.112	-0.140	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](CO1)C2)[C@@H]1C[C@H]1B(O)O	2247810559	YIDSYMLCPFZXIQ-CDLYGTGVSA-N	239.080	-0.465	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1ccoc1B(O)O	2247846291	DCYCEPOAZYJSJP-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@@H]1O)C1(B(O)O)CC1	2247871029	VADZKLOTWICEOR-JGVFFNPUSA-N	239.080	-0.587	50	10	BBGE	
CCC(CC)[C@H](O)CNC(=O)C1(B(O)O)CC1	2247874220	KLKQDDJAEWSLPI-SECBINFHSA-N	243.112	-0.093	50	10	BBGE	
CC[C@@](C)(NC(=O)C1(B(O)O)CCC1)C(N)=O	2247877555	IGRHYKDIVILAAM-SECBINFHSA-N	242.084	-0.846	50	10	BBGE	
CC[C@@H](C)N1CC(NC(=O)C2(B(O)O)CC2)C1	2247878572	LXCLRYLOJRHPFR-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
CCN(CC)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247887598	PPRQACDOHYSSLF-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
C[C@H](N(C)C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2247887778	RPOBZDURCRLMFW-CIUDSAMLSA-N	243.112	-0.143	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247888080	VTGCLVIKWJSRSM-JDDHQFAOSA-N	238.096	-0.955	50	10	BBGE	
O=C(NCCc1ccncc1)[C@H]1C[C@@H]1B(O)O	2247897152	OQWADSRJHAJKJX-UWVGGRQHSA-N	234.064	-0.397	50	10	BBGE	
CNCC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905657	VNCCVHGCIMWGMW-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(F)cc1B(O)O	2248438271	FLPHBNUQKSSNGM-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2248717455	SQUOAARIZDIAJF-HJGDQZAQSA-N	241.096	-0.362	50	10	BBGE	
CCC(F)(F)CNC(=O)c1cocc1B(O)O	2249418638	WRWYDZZMPZUKMK-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1CCCC1	2249419374	GQSZRQMZDNGZKK-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CCCNC[C@@H](C)Oc1cc(B(O)O)ccn1	2250575317	RWAWKQPPWXWXME-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccoc1B(O)O	2255465384	JYCKQNDTVUGPRA-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)[C@@H]1C[C@H]1C	2255518083	ZLEXNZMKZBGBSM-HRDYMLBCSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(B(O)O)n[nH]1	2255546457	FXEYWAJFMDCZGV-JGVFFNPUSA-N	249.079	-0.992	50	10	BBGE	
C[C@H](Cc1cccnc1)NC(=O)[C@H]1C[C@@H]1B(O)O	2255584368	WGOCCEFBOIHASH-MIMYLULJSA-N	248.091	-0.008	50	10	BBGE	
O=C(NCCC1CCC1)c1ccncc1B(O)O	2255728970	OGIUXECLHVUGFH-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
CCC1(NC(=O)c2ncc(B(O)O)cn2)CCC1	2255777134	XLCYTVVISFTYQT-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)cn2CC)CC1	2258947205	DSLCCDFQHPWXGV-UHFFFAOYSA-N	246.075	-0.917	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C(CO)[C@H]2C1	2298165705	SQJXCSYOQXQTPV-JXUBOQSCSA-N	239.319	-0.827	50	10	BBGE	
C[C@H]1CNC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368835	AAPUAPHBCFBIKG-KYXWUPHJSA-N	240.112	-0.789	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1C[C@H](B(O)O)C1	2298369624	ADFFZAZQCISZGU-HKBCETJISA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376790	OMNVAPWIMPVVBR-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
O=C(O)C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2299257317	ISYUDZKORIIVDV-OSMVPFSASA-N	241.052	-0.924	50	10	BBGE	
COc1cncnc1NC(=O)[C@H]1C[C@H]1B(O)O	2299344414	JTPBRALTWAOYMZ-NTSWFWBYSA-N	237.024	-0.713	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H](C)N1CCOCC1	2300921758	SILRDRWEPLTVKT-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](OC[C@H]1CCC[C@@H](C)O1)C(=O)NN	2301072483	YFKRJSVELROQMI-BBBLOLIVSA-N	246.307	-0.035	50	10	BBGE	
O=C(c1c[nH]ccc1=O)N1CC[C@@H](B(O)O)C1	2303113579	DHMLCNMMWHXOIV-SSDOTTSWSA-N	236.036	-0.936	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](C1)NC2)[C@H]1C[C@@H](B(O)O)C1	2303696919	XJOYNGKAUVQBQW-DKIAZLNASA-N	238.096	-0.750	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN[C@@H]3CC[C@H]23)nc1	2312612148	CTXKPCCESXKTNF-AXFHLTTASA-N	247.107	-0.686	50	10	BBGE	
OC[C@H]1[C@@H]2CC[C@@H](C2)N1c1cc(B(O)O)ccn1	2312613723	NWDWQSAYJZWDIU-MIMYLULJSA-N	248.091	-0.889	50	10	BBGE	
CC1(C)NC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317166413	UXCDMPIBKSFKNX-NSHDSACASA-N	246.075	-0.633	50	10	BBGE	
N[C@H](CC[C@@H](Cl)[C@H](N)C(=O)O)C(=O)O	5411097	UZCHFKQDEKHHGI-WDCZJNDASA-N	224.644	-0.802	50	10	BBGE	
COc1ccc(C(=O)NN=C(N)N)cc1	39075626	TXSOIOPZKNTYGY-UHFFFAOYSA-N	208.221	-0.387	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1cnc2c(=O)[nH]cnc21	39236132	HXGQCEDCMHGXAE-SCSAIBSYSA-N	242.622	-0.188	50	10	BBGE	
NNC(=O)c1nc(N)nc2c1CCCC2	66134136	KEVYHPCVANYREU-UHFFFAOYSA-N	207.237	-0.459	50	10	BBGE	
NNC(=O)c1ccccc1Cn1cncn1	82468483	CKTWJKGLYTYQGZ-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(CN(C)C)CC1	82469738	POGYNQFKUFVJEE-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1ncn[nH]1	82471867	PMTMUDMWALOAAJ-SCSAIBSYSA-N	201.255	-0.335	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)CCN1C	82485332	WSIBWQXAIZVRHE-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CS(=O)(=O)CCSCCCC(=O)NN	82514837	PCDSHSPNALSLQP-UHFFFAOYSA-N	240.350	-0.466	50	10	BBGE	
Cc1cc(=O)c2nnc([C@@](C)(O)C#N)n2[nH]1	106366204	BNJILXJBHYDVOI-VIFPVBQESA-N	219.204	-0.543	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CCNC(=O)C1	110569968	WBQPJLOOYVFTJW-LLVKDONJSA-N	248.286	-0.851	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@H](C)CCC(=O)NN	110593396	GCLSBPFUAXKXLZ-SECBINFHSA-N	244.339	-0.399	50	10	BBGE	
CN(C)NC(=O)c1cn(C2CCNCC2)nn1	147302466	ATSDLMUFURCHHA-UHFFFAOYSA-N	238.295	-0.591	50	10	BBGE	
C[C@@H](C(=O)NN)n1c2c(ccc1=O)C(=O)CCC2	160939138	SVFOASQWRLVPRS-ZETCQYMHSA-N	249.270	-0.082	50	10	BBGE	
COc1cc(C#N)cc(OC)c1B(O)O	202158362	LZBLCOBTBFHEJX-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
CCOCOc1ccc(F)cc1B(O)O	203508965	RAETVCDGWVNFDV-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
NCCCC[C@H](N/C=C\C=O)C(=O)O	225936351	ZKPSLLGRNDRMAU-LBLVLHIFSA-N	200.238	-0.129	50	10	BBGE	
OB(O)c1cncnc1-c1ccccc1	238638005	MDKMUCSVYPIQMJ-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	252929616	SMQOUZBHUPUOOZ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)N1CC[C@H](NC(=O)CCl)C1	306569712	LNNQOEHHFABTRE-ZETCQYMHSA-N	204.657	-0.038	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CCC(=O)NN	306903093	IKAGWFNBEQYUJC-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CS(=O)(=O)C1	307404984	CPDVPVFPGZIZIE-SCSAIBSYSA-N	211.670	-0.473	50	10	BBGE	
COCC(COC)O[C@H](C)C(=O)NN	379540078	OHAYBVIYVMRILX-ZCFIWIBFSA-N	206.242	-0.957	50	10	BBGE	
N=c1nc(NNC(=O)CCC=O)cc(Cl)[nH]1	381033599	CFJQSUQNQBQUGF-UHFFFAOYSA-N	243.654	-0.035	50	10	BBGE	
O=C(NC1CC1)c1ccc(B(O)O)c(Cl)c1	381441869	ZNISVGOVAFLCMF-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
COC(=O)N1CCN(C[C@@H](O)CCl)CC1	387086007	FWJQPMZLQUWPET-QMMMGPOBSA-N	236.699	-0.030	50	10	BBGE	
O=Cc1c(B(O)O)cccc1C(=O)CCCl	396055998	LEOAJIHBYQVOSA-UHFFFAOYSA-N	240.451	-0.010	50	10	BBGE	
N#Cc1ccc(B(O)O)c(CC(=O)CCl)c1	396074051	GJIMTKLCCSSSFC-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
Nc1sc2cc(CO)ccc2c1B(O)O	396252791	UOPUWZNUEJHJDJ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1sc2cc(O)ccc2c1B(O)O	396353210	ZCIAKVWDNPRDBB-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H](CN2CC(=O)OC(=O)C2)CN1C	396633161	GQAGAZCNLACMQB-RKDXNWHRSA-N	226.276	-0.288	50	10	BBGE	
NNC(=O)CN1CCCC[C@H](CO)C1	688450503	MMUXFAXXONHVJC-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
C[C@H](CN1CCSC[C@@H]1CCO)C(=O)NN	689851291	QXQUDVTUQQLFPD-BDAKNGLRSA-N	247.364	-0.588	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnc(N)cn2)CC1	692178089	LGVBGQZIQHLWCK-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
CO[C@H](Cn1nc(C)c(B(O)O)c1C)C(C)C	694276110	MCNVSQFJNGWUGD-SNVBAGLBSA-N	240.112	-0.149	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCCl)[C@@H](O)CO	698873834	OYQRQWZKGGUXFO-RQJHMYQMSA-N	245.728	-0.724	50	10	BBGE	
NNC(=O)c1nc(Cn2ccnn2)cs1	699002117	JPPURDUMSJCOQJ-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	707499146	OCHPFZJJYUWOAS-NTSWFWBYSA-N	240.712	-0.497	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1[CH]SC=C1	725571276	IWLHWLYJRDXYSP-RXMQYKEDSA-N	201.227	-0.835	50	10	BBGE	
Cc1c(N[S@@+]([O])(=O)CCCl)[nH]n[n+]1C	725702977	URVTWWDJNVQXQW-CQSZACIVSA-O	239.708	-0.047	50	10	BBGE	
NC(=O)[C@H]1CCN1c1nnc(CCl)o1	757151034	XANNTILSBUPHIC-SCSAIBSYSA-N	216.628	-0.128	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@H]1CN(C)C(=O)N1	834348926	WIABEZPQQDNACS-MRVPVSSYSA-N	249.274	-0.143	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1C[C@]12CCOC2	1161432189	YAKBCZXPKMVPJN-MUWHJKNJSA-N	223.236	-0.326	50	10	BBGE	
Cc1cc(C#N)cc(C)c1C(=O)NNC(=O)CO	1306819667	FWGQGZUXNITJSS-UHFFFAOYSA-N	247.254	-0.072	50	10	BBGE	
CCOc1ccc(NC(=O)C(=O)NN)nc1C	1327456708	DARCAISTSJNMOM-UHFFFAOYSA-N	238.247	-0.283	50	10	BBGE	
COC(=O)NNC(=O)c1nc(C)c(C)[nH]c1=O	1338023796	PGPSCPFNQXXBGX-UHFFFAOYSA-N	240.219	-0.612	50	10	BBGE	
CCn1cc(C(=O)NNc2cccnn2)nn1	1446664033	ZKLKOXDKBJHUEW-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)CCC(N)=O	1464233795	HDHUKVSUISEUHU-UHFFFAOYSA-N	215.253	-0.555	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N(C)CC(N)=O	1595781746	FCNOGSQHNRFLBO-VOTSOKGWSA-N	211.221	-0.626	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)C(C)(C)O	1633133259	UTYCVQOEZSHLPN-UHFFFAOYSA-N	240.263	-0.740	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1Br	1877346641	AEKZXLOSUJSIFO-GBNDHIKLSA-N	249.108	-0.388	50	10	BBGE	
CNNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O	1880023328	KOYBDZAMRDHIBZ-BQBZGAKWSA-N	247.295	-0.489	50	10	BBGE	
O=S(=O)(CCO)NC[C@@H]1C[C@H]1Cl	1881374687	VQFOLDOAUBDZHD-NTSWFWBYSA-N	213.686	-0.475	50	10	BBGE	
CSSCCNC(=O)[C@H](O)[C@H](C)N	1881807473	KJXFJEFASGHSGL-NTSWFWBYSA-N	224.351	-0.178	50	10	BBGE	
NCCN(CCN)C(=O)[C@@H]1C[C@H]1Cl	1883646241	WYMDBVSJFOOSSB-RNFRBKRXSA-N	205.689	-0.640	50	10	BBGE	
CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCl	1884855019	ZQUZPVJLSIMQFO-RNFRBKRXSA-N	243.712	-0.442	50	10	BBGE	
COCCCC(=O)NCC=CB(O)O	1892923858	KMGCICMKEKQDHC-UHFFFAOYSA-N	201.031	-0.903	50	10	BBGE	
N[C@@H]1[C@@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@@H]21	1893505490	WEMYRADSUXKSMK-UFMYQOJPSA-N	214.652	-0.277	50	10	BBGE	
C=C(CN1CCC[S@](=O)CC1)B(O)O	1895212873	VBEMFPZTOFAVKA-AWEZNQCLSA-N	217.099	-0.991	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1896279658	JLEXIPOCWNALLK-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H](C)CN1	1901376524	BMJBEXYNXMXXOC-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CC1(S(=O)(=O)N2CC[C@@](C)(B(O)O)C2)CC1	1902539077	LIUJUMBSQWGWAJ-MRVPVSSYSA-N	247.125	-0.193	50	10	BBGE	
C[C@H]1C(C(=O)Nc2cc(B(O)O)ccn2)[C@@H]1C	1907974354	KUJJWLZCIHZJEM-RNFRBKRXSA-N	234.064	-0.398	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC1(F)F	1913632385	DCMCMXTUWQKWNC-YFKPBYRVSA-N	241.990	-0.645	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)CCCCl)C1	1915005065	SAEMUMAFSLXCFS-UHFFFAOYSA-N	240.712	-0.495	50	10	BBGE	
O=C(O)[C@@H]1CCCCC[C@H]1C(=O)NNCCO	1916155845	IMWOSXOXOHUXBZ-RKDXNWHRSA-N	244.291	-0.119	50	10	BBGE	
C[C@@H](CN(C)[C@H](C)CCO)C(=O)NN	1917043421	QPYVROBMGVRWBL-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
CCc1c(C(=O)NNC(N)=O)nnn1CC	1923550526	VVLVSDYUYGJCHN-UHFFFAOYSA-N	226.240	-0.827	50	10	BBGE	
C[C@H]1CN([C@H](C)CCC(=O)NN)CC(=O)N1C	1926004708	KAFDERMCKMYQPV-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccc(=O)cc1	1927912424	XDOUXBIODRFCNV-APPZFPTMSA-N	207.233	-0.526	50	10	BBGE	
C[C@H](Cl)CNC(=O)Cn1cnnn1	1928696987	UQCMSQBLMOINDX-YFKPBYRVSA-N	203.633	-0.583	50	10	BBGE	
CN1C[C@@H](N2C[C@](C)(CCl)C2=O)C(=O)N1	1931733417	KIVVASRNSWNZSA-MUWHJKNJSA-N	231.683	-0.581	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1935707303	SONPJCFRKSZHPT-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CC(F)(F)C(=O)NN	1935942478	QTMKWWSWNOFMBJ-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N(C)OC)C1	1936109935	PGMSSALUELXQJR-VIFPVBQESA-N	230.312	-0.678	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COCC[C@H]1Cl	1937145430	IKUPRQQWDTXZAY-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
COC[C@H](CN(C)C[C@@H]1C[C@@H]1C(=O)NN)OC	1941088431	QLZKHLWZEUXDHF-GUBZILKMSA-N	245.323	-0.794	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1C[C@@H](C)C(=O)NN	1942614100	UZDUUYTZPKVLHL-HLTSFMKQSA-N	242.323	-0.931	50	10	BBGE	
COCCN([C@@H](C)CC(=O)NN)[C@@H]1CCOC1	1946755073	SGNBWVKIBUTIJJ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN(CCOCCBr)CC(N)=O	1953618181	PEECPCOHNKPQDB-UHFFFAOYSA-N	239.113	-0.185	50	10	BBGE	
CC[C@@H](Cl)C(=O)N(C)C(CO)CO	1954507989	TZLQAZXDNGLHGM-SSDOTTSWSA-N	209.673	-0.185	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1CCCC(=O)NN	1961554183	SMAMSTOQHBNXKA-ANRSDYALSA-N	233.337	-0.791	50	10	BBGE	
CC(C)CO[C@@H](C)Cn1cc(B(O)O)cn1	1979008253	XQBJNWHKEVLXBW-VIFPVBQESA-N	226.085	-0.376	50	10	BBGE	
CC(C)C1CN(c2ncc(B(O)O)cn2)C1	1981414985	YSQDIWRHLFJOPA-UHFFFAOYSA-N	221.069	-0.751	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@H]1F	1982808998	PESXNKHOORTLCW-NKWVEPMBSA-N	224.000	-0.942	50	10	BBGE	
COC[C@H](OC1CC2(COC2)C1)C(=O)NN	1985548721	ZJGUTIVCUHQNNN-QMMMGPOBSA-N	230.264	-0.813	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1c(C)cccc1N	1989370986	GKNCRPRSZSOFLQ-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
CN(C[C@@H]1CNCCO1)C(=O)C=CC(=O)Cl	1991648576	QIJDIZFDHPXSPK-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](n2cccn2)C1	2004326629	KRQGVKMQVQYARL-MRVPVSSYSA-N	237.263	-0.964	50	10	BBGE	
C[C@H]1C[C@H](C)CCN1c1ncncc1B(O)O	2004921416	VVMZRNZQIXBHAA-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCC[C@H]32)c(F)c1	2005017395	DSMJPXALUFXQDF-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
CC(C)CC1(O)CN(CCOCC(=O)NN)C1	2014745641	ZCIIZVFKIBGESN-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
Cc1nn(CC2[C@H]3COC[C@H]23)c(C)c1B(O)O	2015133558	QVJJCYAJTOSKOW-NXEZZACHSA-N	236.080	-0.928	50	10	BBGE	
C[C@@H]1[C@H](N(C)CCC(=O)NN)C2CCN1CC2	2017622621	KLAMGGNIESVHSF-SKDRFNHKSA-N	240.351	-0.219	50	10	BBGE	
CCOC[C@H]1CCCN1CC(=O)NNC(C)=O	2019211036	PAHVUCQZAWGCKK-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCNC(=O)[C@H]1C(C)(C)C	2019799473	XTGSIAHTNDAFHQ-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
O=C(C[C@@H]1CCCO1)N[C@@H]1CCC=C1B(O)O	2020060915	DHFWJXFZFBVIKM-WCBMZHEXSA-N	239.080	-0.228	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)N1C	2052472888	OLVYNWKRQKUFMA-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
CC[C@@H]1CN(c2ncccc2B(O)O)CCN1C	2052490974	HRUABXKWXYQAQJ-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CN(Cc1cnn(C)c1)c1ncccc1B(O)O	2052492237	QYKACRGUDHPKCZ-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
COc1c(B(O)O)c(C)nn1CC(C)C	2059980185	YSLIJMJYVKZXKU-UHFFFAOYSA-N	212.058	-0.464	50	10	BBGE	
CCOc1cc(C#N)cc(F)c1B(O)O	2060174725	OISOFJGIUUHXBO-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccccc1B(O)O	2079008324	HZXQAXLORISZBU-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)[C@H]1CCOC1	2211072093	JESPFOIEIVHFES-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
Cn1cnnc1SC[C@H]1CC[C@@H]1C(=O)NN	2211839694	XZBGESSNFLSDKS-RQJHMYQMSA-N	241.320	-0.077	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]2Cl)c1F	2212603362	FLIARQXSDWJSKD-FSPLSTOPSA-N	244.462	-0.060	50	10	BBGE	
OB(O)c1ccnc(Nc2cccnc2)c1	2212610598	LOWAAZHJKOQKQR-UHFFFAOYSA-N	215.021	-0.100	50	10	BBGE	
N#CC1CCN(c2cc(B(O)O)ccn2)CC1	2217171536	BOWCVZVSNUUABP-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3COC[C@H]32)cc1B(O)O	2217182007	XWORVIJKWZSKRG-VROVMSAKSA-N	234.064	-0.873	50	10	BBGE	
Cc1cnc(O[C@@H]2CN[C@@H](C)C2)cc1B(O)O	2217182253	BBVRISGHSXMARA-IUCAKERBSA-N	236.080	-0.801	50	10	BBGE	
COC1(CNc2nccc(B(O)O)c2F)CC1	2217184684	VKLBHAMYCOHHRX-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@@H]3C2)cc1B(O)O	2217185499	YGBSDXIMWAAONU-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCOC2)c1F	2217186779	OYOKSWCYWGSIPA-SSDOTTSWSA-N	241.027	-0.684	50	10	BBGE	
CC1(C)C[C@H](N)[C@@H]1Oc1cc(B(O)O)ccn1	2217186816	PJVSHCUDMJPUJT-WPRPVWTQSA-N	236.080	-0.734	50	10	BBGE	
NC[C@@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217191209	RJQJIHUKHGXWOG-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
NC[C@H](Oc1ccc(B(O)O)cn1)C1CCC1	2217192720	ZYJGVIRAALPNBB-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
NCCCCCCN=c1cc(B(O)O)cc[nH]1	2217196728	IDKSTZNHJVBTLU-UHFFFAOYSA-N	237.112	-0.886	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C(C)(C)CO	2217197708	PXBFXJUSWSGEHG-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
CO[C@@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2217198007	UZRFLERIDCFIKP-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
N#CC1=CCN(c2cc(B(O)O)ccn2)CC1	2217198130	XBWWPWPVLXBVQQ-UHFFFAOYSA-N	229.048	-0.579	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@@H](O)CC2)nc1	2217200531	LEWAKCUBUCBVPR-AOOOYVTPSA-N	236.080	-0.523	50	10	BBGE	
CCOC1CC(Nc2cc(B(O)O)ccn2)C1	2217205461	ZFFTVPBBJBRLMM-UHFFFAOYSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C(=O)[C@H]1C	2220062369	KMCDUULDFQJJLP-ZJUUUORDSA-N	247.103	-0.019	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223627901	OGQHSKHPDIWNFS-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](O)CCC23CC3)c1	2223637829	HOXCARAJVMMWFN-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCCN[C@H]32)cc1B(O)O	2223643326	UQLHKRRZMQOVCO-GGZOMVNGSA-N	247.107	-0.768	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2ncccc2B(O)O)CC1	2223670647	AXQLUJDOXZTOMN-ZJUUUORDSA-N	249.123	-0.167	50	10	BBGE	
CC1(CNc2cc(B(O)O)ccn2)CCNCC1	2223675853	UCTGIUVQCCPHNS-UHFFFAOYSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@@]23CCCO3)c1	2223679298	NUOHKVVWMQHULG-JQWIXIFHSA-N	248.091	-0.115	50	10	BBGE	
O=C(CCl)[C@@H]1CO[C@@H]2CNC[C@H]2O1	2241258726	HBXOVWYHXJEMHK-PRJMDXOYSA-N	205.641	-0.450	50	10	BBGE	
O=S(=O)(NC1COC1)N1CC(Cl)C1	2241353742	LXAHFWCBJXUKOM-UHFFFAOYSA-N	226.685	-0.857	50	10	BBGE	
C=C1CCN(C(=O)c2nscc2B(O)O)C1	2243347901	RREHYXKIECICJN-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
O=C(NCCCC1CNC1)C1(B(O)O)CC1	2243363959	PFDPMCDUAODVBA-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
C#C[C@@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2243364817	CNEFMZBXUOOXBF-SECBINFHSA-N	221.065	-0.089	50	10	BBGE	
O=C(NCC1=CCOCC1)[C@@H]1C[C@@H]1B(O)O	2243391081	GDDSZAYDOKMBEM-BDAKNGLRSA-N	225.053	-0.688	50	10	BBGE	
C[C@@H](CCO)N(C)C(=O)C1CC(B(O)O)C1	2243395758	BMQWLRHKOUDPPT-UEJVZZJDSA-N	229.085	-0.531	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243398176	NUCPBTKNCQEBQC-QMMMGPOBSA-N	222.053	-0.244	50	10	BBGE	
O=C(Nn1cccc1)c1ccoc1B(O)O	2243400489	BWLBSWZTFYTFGS-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)oc1C	2243409171	CHKURJYXWSAETE-UHFFFAOYSA-N	227.000	-0.519	50	10	BBGE	
COCC1(NC(=O)C2(B(O)O)CC2)CCC1	2243411574	WLJZYOOLLVNEDR-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
CC(C)NCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243427634	YGWZLFRNFGYYDW-DTWKUNHWSA-N	228.101	-0.646	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1cc(B(O)O)co1	2244212600	SBYXZLISFZBUPJ-IYSWYEEDSA-N	243.455	-0.684	50	10	BBGE	
N#CC1(O)CCN([C@H]2[C@@H]3CNC[C@H]2C3)CC1	2244320251	SKIQGZYSNGUXJI-JGPRNRPPSA-N	221.304	-0.055	50	10	BBGE	
N[C@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2244732567	HZGBDBMDWVPVEO-HXFLIBJXSA-N	226.085	-0.907	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccnc1O	2244986493	BIFZVSABAQQKAS-UHFFFAOYSA-N	224.264	-0.401	50	10	BBGE	
C#CCC1CN(C(=O)c2occc2B(O)O)C1	2247751388	XAXLPSFERJACAS-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)C1(B(O)O)CC1	2247753561	ASDZZGLLASXTKB-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
CCCCNC(=O)c1nc(C)ccc1B(O)O	2247754072	DNZHBJFXNOTXQT-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)C1(B(O)O)CCC1	2247758371	VGFGNONKXUGZOZ-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
C[C@@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CCC1	2247758390	VCFKEQVDVLEPSF-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC(F)(F)C1	2247808604	VNOHBABYZZDAKT-LYFYHCNISA-N	248.038	-0.956	50	10	BBGE	
CN(c1cccnn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808727	MGIUTXZRUGHCAE-ZKCHVHJHSA-N	235.052	-0.308	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247809405	ZBEVXGLLOXCRQY-RGOKHQFPSA-N	238.096	-0.846	50	10	BBGE	
CC(C)(C)[C@H]1COCCN1C(=O)C#CB(O)O	2247846362	FHPYJQVFRXHKRC-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
Cc1cccc(C(=O)NCCC#N)c1B(O)O	2247852950	CVGMVIVZBOTEHX-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccncc1B(O)O	2247871954	KAQJSAREJDHFDD-XCBNKYQSSA-N	234.064	-0.758	50	10	BBGE	
CCON(CC)C(=O)c1cc(C)c(B(O)O)o1	2247890699	BBJYPKUYFIEMHE-UHFFFAOYSA-N	241.052	-0.319	50	10	BBGE	
CCONC(=O)c1cc(C)c(B(O)O)c(C)c1	2247893252	OTYBEIWBBXVVRM-UHFFFAOYSA-N	237.064	-0.335	50	10	BBGE	
COC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247897448	SJVUQKYYSUXDCE-KXUCPTDWSA-N	241.096	-0.266	50	10	BBGE	
Nc1cccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247899507	NRPVXHRWHKOPGR-UWVGGRQHSA-N	234.064	-0.252	50	10	BBGE	
C#CCC(=O)N1CCc2sc(B(O)O)cc2C1	2248419440	AOLBLDBHJSYFEN-UHFFFAOYSA-N	249.100	-0.664	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C(=O)O	2248576881	JHOKJJKIJVJVLA-OOJXKGFFSA-N	241.052	-0.829	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)CC(=O)O	2248587783	UOORAOFLYYVNNX-RQJHMYQMSA-N	243.068	-0.439	50	10	BBGE	
C[C@@]1(C(=O)O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248589043	LIRGAFNGNFHPLU-BYULHYEWSA-N	241.052	-0.685	50	10	BBGE	
OB(O)C1CCN(CC[C@@H]2COCCO2)CC1	2249377659	HHSAWJZFEDQYCZ-LLVKDONJSA-N	243.112	-0.269	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cocc2B(O)O)CC1	2249407747	BRRUHNQOBDALKT-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NCCC#CB(O)O	2249999505	WORZBBXGHDHUEO-UHFFFAOYSA-N	241.096	-0.288	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCCC1(F)F	2249999937	BOFPVBYKJXVWJV-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
Cn1ncc2ccc(NC(=O)C#CB(O)O)cc21	2255463411	IKQTUMLNQHOZCQ-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1ccc(B(O)O)o1	2255463690	MDRLEOAEJUSIFA-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1cncc(B(O)O)c1	2255520182	HVWIANAIPHLFPK-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1c[nH]nc1B(O)O	2255548531	MOGVXRZITQELGP-QMSLJYSESA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1Cc2conc2C1	2255669035	ILJQYGAZFDGKAR-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(C)cc(B(O)O)c1	2255691016	AFPUMQMXRRMLOV-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CC#CCC(=O)N1Cc2cccc(B(O)O)c2C1	2256739390	ZPXWCXPMJMSGQM-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
C=CCCCNC(=O)c1ncc(B(O)O)cc1C	2257491021	JSKOGDWNHXUGBG-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)co3)[C@@H]1C2	2258130140	BTFZEWYYTDCSGX-YGOYTEALSA-N	249.075	-0.122	50	10	BBGE	
Cc1cccc(NC(=O)c2cocc2B(O)O)n1	2258132726	JELSKHRSWWSFFK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ncncc2N)CC1	2260868382	PEEIGDRPPIBPDC-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
CCC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369107	JBSXKQLYXBZMLU-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1N	2298369923	JALGCCALPBWEQK-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CO2)[C@@H]1C[C@H]1B(O)O	2298371873	YJLDWBCHSKIPMW-OEZYJKACSA-N	239.080	-0.467	50	10	BBGE	
CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463506	HKUUCBONKMIKRB-MPXCPUAZSA-N	241.052	-0.781	50	10	BBGE	
CC(C)CN(C[C@@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	2298650164	GLBWXJDIUVMNEI-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCn1cnccc1=O	2300384875	SHIMJASRCBATFA-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@@H](C)[C@H](C)C(=O)NN	2301395784	SLQCYSWOYGTOCF-IUCAKERBSA-N	244.339	-0.589	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2302189460	ZAVXMIMBEYNSHY-SRQGCSHVSA-N	239.080	-0.515	50	10	BBGE	
CC#CC(=O)Nc1cc(F)c(B(O)O)c(F)c1	2302394312	GTWUQTMSRANMPG-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
C[C@H](CC(=O)O)CC(=O)N1CC[C@H](B(O)O)C1	2303112423	RVROYLHLNZQLFV-YUMQZZPRSA-N	243.068	-0.437	50	10	BBGE	
Cc1ncc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)o1	2303294913	RRCPYASPPJYHHO-DTWKUNHWSA-N	238.052	-0.196	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2312847949	ABHZYJHCQCKLLX-HLTSFMKQSA-N	249.075	-0.122	50	10	BBGE	
C=C1COC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317150114	AZVKSMZQDCSRRM-GFCCVEGCSA-N	244.059	-0.395	50	10	BBGE	
CCCNCCOc1ccc(B(O)O)cc1C#N	2317205461	FGXNHXBLPWHPMX-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C=CS(=O)(=O)C1	40166928	ONULQJLYGRQMFT-LURJTMIESA-N	219.266	-0.927	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1C(=O)NN	42426510	AVGZMDQQDDYMNL-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@@H](C)CCl	54712378	OPXQNMICZMOPGM-WDSKDSINSA-N	223.656	-0.489	50	10	BBGE	
CCN(CC)CCC[C@H](C)NC(=O)C(=O)NN	58861928	JSYXIZFVDFIJNX-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1CCO	82466495	JENPWCGUZDLWIG-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
Cc1oc(Cn2cncn2)cc1C(=O)NN	82468473	NDZGLXALJVUJNN-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
C[C@@H](C(=O)NN)N(CC(N)=O)C1CCCC1	82469967	CNRZOMDBWBJOOP-ZETCQYMHSA-N	228.296	-0.905	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CCC(=O)NC1=O	84404802	LZUNCZIEAPKJAY-NTSWFWBYSA-N	232.667	-0.217	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)CBr	85086978	FVMIAUVSUJFTKG-BYPYZUCNSA-N	249.064	-0.745	50	10	BBGE	
C=CCCS(=O)(=O)NNC(=O)CSC	89648846	SXSZNVSWSYHFPI-UHFFFAOYSA-N	238.334	-0.124	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCCO1	97298037	CMUVKBBHKFRTDF-HTQZYQBOSA-N	230.264	-0.262	50	10	BBGE	
COC(=O)/C(C#N)=C\[C-](C#N)C(=O)OC	101451895	ZWAODMMSSCGJIR-UTCJRWHESA-N	207.165	-0.120	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCCC2=O)O1	104112084	PKCSUPXXRHUTTD-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
CN1CCn2c(nnc2[C@@](C)(O)C#N)C1	106366045	FZFLKGBRBALILW-VIFPVBQESA-N	207.237	-0.545	50	10	BBGE	
NCCNS(=O)(=O)CCCCCl	124900399	ICPMJXXYMGWCPG-UHFFFAOYSA-N	214.718	-0.117	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	166155804	VZGJHPWXQJCJQT-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
O=C(Oc1ccc(B(O)O)cc1)C1CC1	196168093	TVSGOLPUJRNDHX-UHFFFAOYSA-N	206.006	-0.318	50	10	BBGE	
CC1(C)CCN(C(=O)C(=O)NN)CCS1	231060107	MYSVXXCUWVBFAC-UHFFFAOYSA-N	231.321	-0.280	50	10	BBGE	
COCCOCCNS(=O)(=O)CCCl	232299225	HTVWDEPIGWIGAO-UHFFFAOYSA-N	245.728	-0.192	50	10	BBGE	
COC[C@H](SC1CCOCC1)C(=O)NN	232421580	DEGQIPIUZQSMJG-QMMMGPOBSA-N	234.321	-0.097	50	10	BBGE	
COC(=O)[C@H](Cl)CNCCS(C)(=O)=O	234571403	CNAQDXPLIVMZSB-ZCFIWIBFSA-N	243.712	-0.599	50	10	BBGE	
C[C@@H](CN1CCCN(C)C[C@@H]1C)C(=O)NN	235640008	TXUHHLICCLJQDY-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@]1(C(N)=O)CCN(S(=O)(=O)CCl)C1	235748114	DVZUMPQIZDCZDJ-ZETCQYMHSA-N	240.712	-0.290	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H](C)O	250693400	NFJVSMBUCNZHDK-YUMQZZPRSA-N	203.286	-0.687	50	10	BBGE	
C[C@H](CC(=O)NN)SCC(=O)NC1CC1	300804889	GEHIMCWVAUSKEG-ZCFIWIBFSA-N	231.321	-0.233	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC[C@H](N)C1	302454049	XSEDMMMPMXWJSQ-VIFPVBQESA-N	249.318	-0.392	50	10	BBGE	
NNc1cccc(B(O)O)c1CCl	307539495	YIIHKYJOUKSKQE-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CCO[C@@H]1C1CCNCC1	378791935	OBTGZCVZEMIBSZ-DTWKUNHWSA-N	213.281	-0.619	50	10	BBGE	
CC1(O)CN(C[C@H](C(=O)NN)c2ccccc2)C1	384078119	XGVLFMJRBIYWGQ-NSHDSACASA-N	249.314	-0.173	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@](C)(CN)C1	390223699	AULCOVSPGKKUSK-MWLCHTKSSA-N	228.340	-0.184	50	10	BBGE	
CNC(=O)CCN(C)CCC(C)(C)C(=O)NN	395599465	AOEUCHMBPUGYTD-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
C[C@H](Cl)C(=O)c1cccc(B(O)O)c1O	396027797	ZABGQXXMNNFCBJ-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
CCC(=O)c1cc(CO)ccc1B(O)O	396035985	BOICRYLNLAORKV-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(CO)cc1B(O)O	396043917	WOPWOQSPOOVNCT-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
Nc1cc2scc(B(O)O)c2cc1CO	396252887	QSKRCNAXMNVZKX-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc(C=O)c2ccsc2c1B(O)O	396265736	ADTUVLFGQDJWNB-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cncs1	400111683	RKIADDJNUYBQGV-MRVPVSSYSA-N	244.320	-0.420	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC=C(Cl)C1	404337323	CIPSRAQRVHENJC-QMMMGPOBSA-N	233.699	-0.180	50	10	BBGE	
C[C@H]1[C@H](C)CN1CC(F)(F)C(=O)NN	685957206	VBKXOKZFMCVYMA-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1cc[nH]n1	690093060	FAXGYHUCLLIXAM-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC(NC(=O)C(=O)NN)(C1CC1)C1CC1	691864748	IYCLEMQNRSHHIE-UHFFFAOYSA-N	211.265	-0.329	50	10	BBGE	
CN(C)NC(=O)N1CC2CC1(C(=O)O)C2	694800847	FPQOAEDHVHAWIP-UHFFFAOYSA-N	213.237	-0.278	50	10	BBGE	
C[C@@]1(C2CC2)CN(C(=O)C(=O)NN)CCO1	694830326	UINRFAPWOSWYQV-JTQLQIEISA-N	227.264	-0.996	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C[C@@H](Cl)C#N	699188412	UEOJJJHXLVPNPA-XHNCKOQMSA-N	218.684	-0.065	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)C(F)(F)F	706972873	OYKAVKANNLXWSL-VKHMYHEASA-N	229.158	-0.222	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](C(F)F)C1	707183807	RLXJOXVWIDTJMJ-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCNC(=O)C[C@@H]1C	707347416	QUDZOCXMEXRFNO-CIUDSAMLSA-N	242.323	-0.789	50	10	BBGE	
CC(C)[C@@H]1CN(CCC(=O)NN)CCO1	708949878	FTMVIFVRALHKDP-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
CN(C)C[C@H](Cl)CNCCS(C)(=O)=O	717275031	CECJAJMRHFUPSO-MRVPVSSYSA-N	242.772	-0.210	50	10	BBGE	
Cc1cn(C)nc1COc1cncc(B(O)O)c1	723954064	MEUGFYQFGLVFBP-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCOC[C@H]1O	725628027	BEYCIJVBQDKQGB-DSYKOEDSSA-N	207.657	-0.120	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H](CCS2(=O)=O)C1	725701649	BLNCKKKMKBNRKU-RNFRBKRXSA-N	237.708	-0.129	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)Cc1cnnn1C	862499291	CNKNDTUNFMVXAI-UHFFFAOYSA-N	246.274	-0.374	50	10	BBGE	
CCC/C=C\[C@@H](O)C(=O)NNC(=O)NC	900353476	VWHOGFKNODWHAX-KXTMECRCSA-N	215.253	-0.336	50	10	BBGE	
CC(C)C(=O)NNC(=O)Cn1nccc1N	1135735779	REMGXMGTBCJMTO-UHFFFAOYSA-N	225.252	-0.731	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1153166768	FSSBQWPNXWUSQW-TUUFMJSCSA-N	238.247	-0.584	50	10	BBGE	
OB(O)c1cscc1CN1C[C@H](F)[C@H](F)C1	1231947140	LBJJSRHNJOGAKJ-DTORHVGOSA-N	247.075	-0.080	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)[C@@H]1COCCO1	1465562959	CRQONGBDARSLPB-TYRPZCRBSA-N	240.259	-0.319	50	10	BBGE	
COC(=O)NC(C)(C)C(=O)NNC(C)=O	1587582281	TVIAHJSOQYPUDL-UHFFFAOYSA-N	217.225	-0.712	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc2[nH]cnc12	1597341072	NGRIDYPJPTYOGJ-UHFFFAOYSA-N	234.219	-0.468	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1ncncc1F	1641589239	MJEKWVYLSFKHJX-TYWZFMJISA-N	226.211	-0.004	50	10	BBGE	
NCC#CC(=O)NC[C@@H]1C[C@H]1Br	1877372226	GBPHHAMSMORBGB-NKWVEPMBSA-N	231.093	-0.152	50	10	BBGE	
C[C@@]1(O)CN(C(=O)CCCl)CC[C@@H]1O	1877857318	JFEMDYCYWDEVNH-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](Cl)C#N)C[C@H]1N	1882163656	ZATHCSUAPRPJLA-XLPZGREQSA-N	203.673	-0.225	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)CCl	1882774945	FKTWMCIBKUKZBQ-CIUDSAMLSA-N	204.701	-0.026	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCNC1	1883647225	JZTJOXZKSZURGO-IPWVHJGXSA-N	202.641	-0.214	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@@H]1C[C@H]1Cl	1893447339	XNLXXPROXLRPND-WCMLQCRESA-N	219.668	-0.386	50	10	BBGE	
O=C(NCCC(CO)CO)[C@H]1C[C@H]1Cl	1893462136	WESWDZNBQDHKHJ-JGVFFNPUSA-N	221.684	-0.279	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@H]1C[C@H]1B(O)O	1900275202	WARWPUIUMIKWAR-XLPZGREQSA-N	228.101	-0.661	50	10	BBGE	
CC1(CNC(=O)c2cnsc2B(O)O)CC1	1900451569	NORJNPOABDEESG-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CN(CCOC1CCC1)C(=O)C#CB(O)O	1900854234	HBWASAWJRQGWGJ-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@]1(N)C[C@@H]1C	1901377739	SCQAYIGWVURZOY-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	1902003047	GZWHYYNESARVHU-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1COCCN1Cc1nc(B(O)O)cs1	1902637035	GIDBJXBWCLYDJX-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1902716331	QXNPKWMHNBHYKM-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
CCN1CCC(=O)N([C@H](C)CC(=O)NN)C1=O	1906995590	RFHNANWJAHEXQK-SSDOTTSWSA-N	242.279	-0.571	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CC1CC1)C1COC1	1909759156	GWEGRYXIIDWJOZ-GXSJLCMTSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC(F)(F)C2)O1	1909805190	MASJNNUFFRBRSS-SFYZADRCSA-N	249.261	-0.135	50	10	BBGE	
CO[C@H]1CN(CCCC(=O)NN)CC[C@H]1OC	1910472675	JNMMYXQWATUCEM-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H]1C[C@H]1COc1nc(C)ncc1B(O)O	1910813094	ACFGZNRETVAIPQ-BDAKNGLRSA-N	236.080	-0.110	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCCNC1	1923401771	FVAPPCLQPSRCTL-YFKPBYRVSA-N	239.197	-0.304	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H]21	1924378034	YXVHHNUBVKGKKP-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927914773	XXPRWDKBFOPJMY-WEDXCCLWSA-N	213.281	-0.931	50	10	BBGE	
CO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927915929	LTDXBJZQAUCZQR-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1CCCSC1	1928374327	CJNLBOQQOILTAI-NKWVEPMBSA-N	231.321	-0.376	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=S)nc1	1928470538	FJGZKINUGHPOGC-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
NNC(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1	1932580863	AZPXTRFSBOUIBB-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
O=C1NC[C@H]2CN(C(=O)CCl)CC[C@H]12	1935276164	IQWAUZOEBPKJOW-BQBZGAKWSA-N	216.668	-0.180	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCO2)nc1	1937124510	ROFVEUXUGNGXCO-UHFFFAOYSA-N	222.248	-0.178	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](O)[C@H]3C2)CC1	1938396400	IDPVXGOEDQMFRT-CIUDSAMLSA-N	225.292	-0.931	50	10	BBGE	
CO[C@@H]1COC[C@@H]1Oc1ccccc1B(O)O	1942933641	GFQHXPZBEBCYPV-MNOVXSKESA-N	238.048	-0.841	50	10	BBGE	
NNC(=O)CCCCCOC[C@@H]1COCCO1	1948420971	QPMIUDLYOOZTFP-SNVBAGLBSA-N	246.307	-0.031	50	10	BBGE	
CCn1nc(C)c(C(=O)NCB(O)O)c1C	1951321986	PARZTCPAWDCHBP-UHFFFAOYSA-N	225.057	-0.738	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@@H]1Br	1951328759	ZCCPVHYRAIZXCB-IUYQGCFVSA-N	214.084	-0.494	50	10	BBGE	
O=C(CNCCO)NCC(Cl)Cl	1953408050	ZVZRVEXYTQZYIH-UHFFFAOYSA-N	215.080	-0.512	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@@H](O)CBr	1953623561	UZDLXJXADNLBIU-RITPCOANSA-N	239.113	-0.452	50	10	BBGE	
CON(C1CCOCC1)[C@H](C)C(=O)NN	1960107853	HPVZKBWCRVIZDQ-SSDOTTSWSA-N	217.269	-0.593	50	10	BBGE	
CC(C)NC(=O)[C@@H]1CCCN1C(=O)NN	1961188085	DMXWFEGBOWWOML-ZETCQYMHSA-N	214.269	-0.441	50	10	BBGE	
CC(C)(CN1CCO[C@@H]2C[C@@H]21)C(=O)NN	1961507567	BSVNQCJIWJVSGG-JGVFFNPUSA-N	213.281	-0.524	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2C[C@@H]2CCl)n1	1962190687	KINRTCFURQFQJZ-RITPCOANSA-N	229.671	-0.185	50	10	BBGE	
CC(C)[C@@]1(C(=O)O)C[C@H]1C(=O)NNCCO	1978674509	VNVBWOSFCIJCJJ-XVKPBYJWSA-N	230.264	-0.654	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@@H](O)C1	1980518571	HBKXIKBSFXYCFO-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CC[S@]1=O	1981188925	SGGOPYYFDUUQJL-XXFAHNHDSA-N	247.364	-0.401	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@@H](C)C(=O)NN	1984069854	RAEWDRDSSUZHNR-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CN(CCC(F)(F)C(=O)NN)CCO1	1984130188	PFHNSHNXUODTSW-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC([C@@H]2NC(=O)NC2=O)C1	1986670031	RYRZERVSCDSJCW-NJGYIYPDSA-N	245.666	-0.720	50	10	BBGE	
NC(=O)NNC(=O)c1ccn(C2CCC2)n1	1987221150	GGBRUDKUVLWNHI-UHFFFAOYSA-N	223.236	-0.079	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)C12CC2	1988762866	XJGADMPJZXCHDA-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
O=C(NCC1CC1)N[C@@H]1CCC=C1B(O)O	1991326661	JGLFWJDOMFZXBR-SECBINFHSA-N	224.069	-0.204	50	10	BBGE	
CNC(=O)CN1CCN(C[C@H]2C[C@H]2Cl)CC1	1991433280	PUIRFPIPASXSAS-NXEZZACHSA-N	245.754	-0.023	50	10	BBGE	
C[C@H](CN1[C@@H](CO)CCC1(C)C)C(=O)NN	1994867707	JAIWAVSGSZDUTI-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCCN1CCN(CCCC(=O)NN)CC1=O	1996756473	SMMVOVCRGJJBPY-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
CC(C)C(C)(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998135001	JUPFHURZJROVBC-ZETCQYMHSA-N	245.084	-0.289	50	10	BBGE	
NNC(=O)c1cc(CN2CC=C[C@H](O)C2)on1	2000935272	VDMZBVDTIAEKPR-ZETCQYMHSA-N	238.247	-0.989	50	10	BBGE	
CC(C)(C)N(C[C@@H]1CCOC1)C(=O)C(=O)NN	2003828910	SUTAGHAKWLPHAJ-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CCN(C[C@H](C)OC)c1ncncc1B(O)O	2004916788	PZSWHFDKRILHIH-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
CO[C@]1(C)CCN(c2ncccc2B(O)O)C1	2004936094	UVDDXIXZRKQRFD-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](CCF)C1	2004939311	LURMKPOQAPGCGQ-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
CC[C@H](C(F)F)N(C)c1ncc(B(O)O)cn1	2009012517	NWTWMIHHBYDASP-SSDOTTSWSA-N	245.038	-0.364	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)[C@H]1C[C@H](O)C1	2009403500	COEZIFZOIMYXQI-LJGSYFOKSA-N	240.263	-0.767	50	10	BBGE	
C[C@@H](CN1CCN2C[C@H](C)C[C@H]2C1)C(=O)NN	2010601055	RODPXWJQOIMSQR-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1ccc(C(=O)NN)o1	2011156315	RFUOEVSRXFHICS-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
COC[C@H]1CCCCN1CC(=O)NNC(C)=O	2019208270	FUCONPPEUGPCAY-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2[C@@H](C1)C2(F)F	2019217897	BVJMJRXPXKNLCI-HTQZYQBOSA-N	247.245	-0.259	50	10	BBGE	
CC(C)n1ncnc1CN(C)[C@@H](C)C(=O)NN	2019560998	HDYWVMLWKLFAOK-QMMMGPOBSA-N	240.311	-0.331	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C12CCC2	2023236380	KMGFIVZERHEFHN-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@H](O)C[C@@H]2C1	2024502453	IEWYBWWMFPXISB-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3cc(B(O)O)ccn3)C[C@H]12	2042945245	SZXNYDKLEVQZIS-GMEUVTARSA-N	246.075	-0.254	50	10	BBGE	
C[C@H](NC(=O)N1CCC1)c1cccc(B(O)O)c1	2043145677	JKYFJCGMFOSJRY-VIFPVBQESA-N	248.091	-0.157	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(B(O)O)c1C#N	2060304622	RHDDFTMKQKJLDZ-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1cccc(B(O)O)c1	2079012034	NFRKYCNXLYPORR-IAZYJMLFSA-N	245.087	-0.105	50	10	BBGE	
C[S@](=O)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838350	GLIIVIVUWTZIEW-VPCAEXAFSA-N	245.348	-0.935	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@@H]3C[C@H]32)c1	2212607200	HQQQIUMDYGXANU-SZEHBUNVSA-N	219.049	-0.061	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCOCCC1=O	2215770251	AQGXEABOHXBUIU-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2COC[C@H]21	2215771172	GOUHGHLXLDXZFL-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215774159	WARSIBIWWCEJMT-FKSUSPILSA-N	237.259	-0.993	50	10	BBGE	
OCC(F)(F)CCNc1ncccc1B(O)O	2217181754	URDVWBYWVGRSPJ-UHFFFAOYSA-N	246.022	-0.809	50	10	BBGE	
Cc1cnc(N[C@@H](C)CCCO)cc1B(O)O	2217182629	FSHYWAHIRRJOCZ-VIFPVBQESA-N	238.096	-0.357	50	10	BBGE	
OC[C@@H](Nc1nccc(B(O)O)c1F)C1CC1	2217185409	WRDCZGUBNBSLAE-MRVPVSSYSA-N	240.043	-0.917	50	10	BBGE	
N[C@@H]1CCC[C@H](Oc2cc(B(O)O)ccn2)C1	2217187245	VOYRVGLKJTYYKV-ZJUUUORDSA-N	236.080	-0.590	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)CC[C@@H](N)C1	2217191996	GKXOEGPMTOAKDW-MWLCHTKSSA-N	236.080	-0.590	50	10	BBGE	
C[C@H](N)C1(COc2cc(B(O)O)ccn2)CC1	2217192733	IVLNLSSILUTARN-QMMMGPOBSA-N	236.080	-0.732	50	10	BBGE	
OC[C@@H](CNc1ncccc1B(O)O)C1CC1	2217198976	IVZCGXCDFAGGGC-SECBINFHSA-N	236.080	-0.808	50	10	BBGE	
C=CCOCCCNc1ncccc1B(O)O	2217199194	KMZVNBQAPGJFPU-UHFFFAOYSA-N	236.080	-0.234	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncco1	2217199989	QDASWJTUCBCHPP-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1Cc1cccc(B(O)O)c1	2220053612	IQLJRRUKDAHYBG-JQWIXIFHSA-N	249.119	-0.431	50	10	BBGE	
N[C@]12CC[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220072967	RCNSRKIRRFPBTE-YPMHNXCESA-N	246.119	-0.711	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@@H]3CC[C@H]32)c1	2223635563	YPBUDWOILDCEOV-MXWKQRLJSA-N	248.091	-0.889	50	10	BBGE	
N=c1ccc(CNc2ncccc2B(O)O)c[nH]1	2223637909	SSQBCIXRDOXNGZ-UHFFFAOYSA-N	244.063	-0.819	50	10	BBGE	
OB(O)c1ccnc(N2CCn3cccc3C2)c1	2223675790	YUBHPYDPZACQSC-UHFFFAOYSA-N	243.075	-0.417	50	10	BBGE	
O=C(CC(F)F)NCCC#CB(O)O	2241906913	JPFLAPSGZVMAHW-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)C1	2243349829	RAZJZPBKNPCSGG-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(F)ccc1O	2243357214	SXNBGDLRKHZLLM-UHFFFAOYSA-N	222.968	-0.515	50	10	BBGE	
CCC[C@H]1COCCN1C(=O)C#CB(O)O	2243357437	WTXOSIGTWCZATF-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2243364300	UWRGLIHRNUDBRB-SSDOTTSWSA-N	227.069	-0.323	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccon1	2243383344	XEMSWLBMUGOLHS-LYFYHCNISA-N	224.025	-0.285	50	10	BBGE	
O=C(NC1CC(CO)C1)[C@H]1C[C@H](B(O)O)C1	2243383409	XLJZJBBQVLPIJI-PAVDCMTPSA-N	227.069	-0.874	50	10	BBGE	
COC[C@@H](C)NC(=O)c1cc(B(O)O)cs1	2243385263	GDGFRXBYFZXGLD-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
CC(C)[C@@H](N)CCNC(=O)C1(B(O)O)CC1	2243397421	AZIKCIUYNBZQEJ-QMMMGPOBSA-N	228.101	-0.517	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)[C@H](C)O	2243398102	MNRMIBRSBBKCEU-JGVFFNPUSA-N	229.085	-0.341	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC12CCCC2	2243401851	XSVCSQZLNPDVLZ-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1coc(B(O)O)c1	2243409522	JQJQORGPKGMGHU-SSDOTTSWSA-N	241.077	-0.805	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CC1)COC	2243410313	ZKNLSLKXPHRILK-MRVPVSSYSA-N	229.085	-0.218	50	10	BBGE	
COC(=O)CCNC(=O)C1(B(O)O)CCC1	2243411077	NJHMCTOKFXUYFU-UHFFFAOYSA-N	229.041	-0.937	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2C[C@]2(C)C1)B(O)O	2243412811	UBYOHMMYMBUMGO-RKDXNWHRSA-N	245.109	-0.774	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCS[C@H]2CC[C@H]21	2243427657	YQMSJUKIEWUKLB-XAVMHZPKSA-N	241.121	-0.044	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(F)nc1	2243669405	VJOBEUICZLDPIG-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cc(B(O)O)cnc1C	2246825452	PDJQIFOWDWCLFN-LDYMZIIASA-N	237.064	-0.516	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)c1nc[nH]n1	2247735998	REOSYVHNNIVCCB-ZCFIWIBFSA-N	238.056	-0.621	50	10	BBGE	
CCN1CCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247757944	YMWGSPQIGRJHAB-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@@H]2F)cc1B(O)O	2247760500	JAFUPXZFAMSUCQ-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCCO[C@@H]12)C1(B(O)O)CC1	2247764948	XVMPPUQBFVVXCI-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1cc(B(O)O)n[nH]1	2247784213	QVOAKEPCGSKTAI-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCCN1	2247790510	HVOCBOOYOCABTR-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247793485	YBYMLPLBSQGTCY-AATLWQCWSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@]12CCNC2	2247799115	ZVGTUQNONJDPJT-WCABBAIRSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247804078	FDGDHRULOLANTF-WOOKNIGNSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)CCC12CC2	2247805224	JVKJLERTJVLKDF-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247807735	RULIRTKRMBDHGT-HRDYMLBCSA-N	239.080	-0.120	50	10	BBGE	
CN=c1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)c[nH]1	2247808384	USBIUXQMXGSWMM-HTQZYQBOSA-N	235.052	-0.653	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247808562	VIGLYILPQTVQRK-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
C=C(C)CNC(=O)c1cccc(B(O)O)c1F	2247854068	WSUVYQBPGTXACD-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CCCn1ccc(=NC(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247896326	YIRNGYFEAGPTMQ-HTQZYQBOSA-N	237.068	-0.484	50	10	BBGE	
CCN1CC(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897988	ZFWYXKPFVIVAKX-UWVGGRQHSA-N	240.112	-0.741	50	10	BBGE	
CCCN(C(=O)C1CC(B(O)O)C1)C1CNC1	2247911738	XZKHRSIPOORXSL-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
Cc1cc(C#CCN)cnc1C(=O)NN(C)C	2248969690	HRCOKCLVZNEJDG-UHFFFAOYSA-N	232.287	-0.093	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CC(N)=O)CC1	2249308432	PMOPDPILHQQZCT-MRVPVSSYSA-N	240.307	-0.904	50	10	BBGE	
C[C@@H]1CCC[C@H](C(=O)NCCC#CB(O)O)O1	2249999068	QVIVYKPEBYYSSF-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2250593282	JYLZLKSGPLQKIU-AEJSXWLSSA-N	243.112	-0.285	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1c1cc(B(O)O)ccn1	2251010191	PHODHBMTUIUSPQ-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Oc1ccc(B(O)O)cn1	2251041495	CVHHDJOETFHTKE-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1ccc(B(O)O)cn1	2255520111	GUTUWWFDZGKRKI-BDAKNGLRSA-N	248.091	-0.511	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ncccc1B(O)O	2255717839	PMNYKPJDSZLXOY-CABZTGNLSA-N	248.091	-0.320	50	10	BBGE	
Cc1cnc(C(=O)NC2(C)CCC2)c(B(O)O)c1	2255789554	JEGDEHAWYKVOTG-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1cc(B(O)O)co1	2258128275	PGOYAIVBKFGTPK-OIOJTZEHSA-N	247.059	-0.656	50	10	BBGE	
O=C(NC[C@H]1CCCCNC1)[C@H]1C[C@H]1B(O)O	2298375791	ZKEFFLSLUNOYIF-LPEHRKFASA-N	240.112	-0.645	50	10	BBGE	
CO[C@H](C)COc1ccc(B(O)O)cc1C#N	2301341134	LTULANDBZSOBDN-MRVPVSSYSA-N	235.048	-0.348	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)C1(B(O)O)CC1)C2	2301505864	SHNRRDMZGXIQTH-MRTMQBJTSA-N	239.080	-0.635	50	10	BBGE	
COCC(COC)CN1CC[C@@](C)(B(O)O)C1	2303146253	FHHGJMAAZWSREE-LLVKDONJSA-N	245.128	-0.166	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@H]1C(N)=O)C(=O)NN	2303424956	XHXFMEVIPVCVCL-KWQFWETISA-N	242.323	-0.658	50	10	BBGE	
OB(O)c1cc(NC2CCOCC2)ncc1F	2303847033	BMAHKZSPTBEVAC-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
CNC1(COc2cc(B(O)O)c(F)cn2)CC1	2303852511	MLPITFDHXFMAEC-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
CNC(=O)C[C@H]1CCCCN1[C@H](C)C(=O)NN	2303943178	PAWKGTNPTZXPRV-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
N#CC(=Cc1ccc(OCC(N)=O)cc1)C(N)=O	2313636411	VVMZFFHDNGFTQZ-UHFFFAOYSA-N	245.238	-0.057	50	10	BBGE	
C#C[C@H]1N(C(=O)c2coc(B(O)O)c2)CC1(C)C	2314515375	ZREBBLXUZLONMT-SECBINFHSA-N	247.059	-0.557	50	10	BBGE	
NC(=O)c1ccccc1CN1CC[C@H](B(O)O)C1	2319714608	NBHJOEQGYOWJRL-JTQLQIEISA-N	248.091	-0.166	50	10	BBGE	
O=C1O[C@H](CO)[C@@H](O)[C@@H]1Br	34206461	NDKOWOJLJMQPQS-FLRLBIABSA-N	211.011	-0.972	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)Cc1ccccc1	49818237	RIRLTZLKNJATFK-MRVPVSSYSA-N	221.260	-0.276	50	10	BBGE	
CCCN1CCN([C@@H](C)C(=O)NN)CC1	82465979	YJSFBBQONCKWFI-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
Cc1n[nH]c(SC[C@@H](C)C(=O)NN)n1	82473189	PNYDKUOZRYCJBW-SCSAIBSYSA-N	215.282	-0.169	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CONC1=O	86482496	SSVRQVVVFHAMLA-RFZPGFLSSA-N	206.629	-0.593	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2ccnc2C1	93071955	LANBZOCAPZDJJZ-DTWKUNHWSA-N	237.307	-0.287	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCC[C@H]3C2)CC(=O)O1	158875761	BECSQIHSIXWVJX-VHSXEESVSA-N	238.287	-0.001	50	10	BBGE	
CC(=O)NNC(=O)CN1CCc2cccc(N)c21	161704012	SXLTWLNQGLDCJR-UHFFFAOYSA-N	248.286	-0.201	50	10	BBGE	
N#CC[C@](N)(CCCCB(O)O)C(=O)O	198058698	LRYKKEICDSJOQW-MRVPVSSYSA-N	214.030	-0.675	50	10	BBGE	
CC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	202351147	YLQGXGBOYJWXBT-YUMQZZPRSA-N	228.101	-0.637	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H](N)C1	219255583	YUUBMGGCSILIEN-BDAKNGLRSA-N	214.313	-0.432	50	10	BBGE	
CC(C)CNC(=O)CN(C)C[C@H](C)C(=O)NN	228299851	DYFIRTATJIIAQK-VIFPVBQESA-N	244.339	-0.684	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H]1C(N)=O	228520698	NBNWMBDGIDNYKV-NKWVEPMBSA-N	217.656	-0.697	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@@H](C)CCC(=O)NN	234384121	UYHKQZKLGNTBKV-BDAKNGLRSA-N	244.339	-0.541	50	10	BBGE	
O=C(CCCCl)NS(=O)(=O)O	238715358	IQZLFCGBVIBDMN-UHFFFAOYSA-N	201.631	-0.076	50	10	BBGE	
CN1CCC[C@H](C[C@H](N)C(=O)NN(C)C)C1	258946842	AOMPBQTWHIBZKR-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2oc(=O)[nH]c2c1	258970191	IALDWWLKSDGUQM-LURJTMIESA-N	236.231	-0.499	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc2[nH]cnc2c1	258978727	JDWLYILUYBYOES-SSDOTTSWSA-N	219.248	-0.577	50	10	BBGE	
C[C@@H](CN1CCCN(C)C[C@H]1C)C(=O)NN	300355867	TXUHHLICCLJQDY-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cc(F)cc(CN2C[C@@H]3C[C@H]3C2)c1	307477094	LVMVOTBBRIMNTC-UWVGGRQHSA-N	235.067	-0.043	50	10	BBGE	
CO[C@H](CN1CC(=O)OC(=O)C1)C1CC1	378748223	JEKZWJNSDJAPCG-MRVPVSSYSA-N	213.233	-0.203	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](C)(CO)C1	381358041	JMNRYGZFSXJQKV-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
COC1(C)CN(Cc2cccc(B(O)O)c2)C1	382618720	ZXDKLIBERKSTHY-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
N#CCc1nc2ccc(B(O)O)cc2o1	396104100	LNPQKBDUYKBRGR-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
N#Cc1sc2cccc(CO)c2c1B(O)O	396224939	PTAQSMJXYJBLGI-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc(B(O)O)cc2cc(O)sc12	396346387	QYRGCUHYYOBQHR-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN1C(=O)C[C@H](C(F)(F)F)[C@H]1C(=O)NN	399833177	KLQCYNJDQBCVSP-UCORVYFPSA-N	225.170	-0.615	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@](C)(CO)C1	688028693	ZTZBBBHEIUDXCQ-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CO)CN(C)[C@@H](C)CC(=O)NN	688388427	RYYURBCCTVUUOY-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
CN(C)CC[C@@H]1CCCN1CCC(=O)NN	701450838	YKHZTIBSXHANGS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
Cc1nn(Cc2ccc(O)cc2)c(C)c1B(O)O	703668790	XYVRQWKVKJPUAI-UHFFFAOYSA-N	246.075	-0.066	50	10	BBGE	
CCC1(O)CCN([C@H](C)CC(=O)NN)CC1	707248055	VBAXMGBASXLOHJ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCn1cccn1	707435592	PLYMPCSANVZSAG-MRVPVSSYSA-N	211.269	-0.807	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@@H]1C	710915365	HPJJCRJGMMNOBM-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H](CO)CN(C)C	716787792	WSXYNOFSJKNDRU-YUMQZZPRSA-N	222.716	-0.100	50	10	BBGE	
NC(=O)N1CCN(C(=O)NC(=O)CCl)CC1	721660189	AAZYSJGBBRFOFH-UHFFFAOYSA-N	248.670	-0.842	50	10	BBGE	
CN(C)NC(=O)C[C@H]1COCC[C@H]1N	725614200	PPPWRGCRJDTGRH-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN(C)N[C@H]1C=C(C#N)SC1=[N+]([O-])O	725648962	XGWWONOIEACDKE-LURJTMIESA-N	214.250	-0.127	50	10	BBGE	
C[C@H](Cl)CN[S@@+]([O])(=O)c1c[nH]n[n+]1C	725702750	DRZCTWPUQGHEMY-OVZGEXIGSA-O	239.708	-0.430	50	10	BBGE	
CC/C(C)=C\C(=O)NNC(=O)c1cnn[nH]1	1144480579	ZIFYZTLFCJVNOW-XQRVVYSFSA-N	223.236	-0.078	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnnc(C)c1	1321723010	UEFHHJYCQIMZPI-UHFFFAOYSA-N	223.236	-0.251	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)NN)CS1(=O)=O	1327500701	NRACFFJKNSZDRV-PHDIDXHHSA-N	221.282	-0.875	50	10	BBGE	
Cc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)on1	1348412246	UWDKSGXVJLQIPX-QMMMGPOBSA-N	236.231	-0.288	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ccncn2)CN1	1449882523	XEMXKQIWNLLIRG-ZETCQYMHSA-N	235.247	-0.554	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnnc1	1583708168	OQSGCVJNYJAIKO-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccc(O)cn1	1639770573	SSAGLQBHQWPVCZ-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
CN(CCNC(=O)OC(C)(C)C)CC(=O)NN	1880030135	JMIZEKXUZBYUNU-UHFFFAOYSA-N	246.311	-0.567	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CC(=O)NC1=O	1884196168	RIGUQQQWNJXCTN-IUYQGCFVSA-N	204.613	-0.855	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](NC[C@@H]2CCO2)C1	1888490810	GDTUFGQUPOHAQM-XLPZGREQSA-N	239.724	-0.231	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H](C)N	1888590206	NCNWFICICRDITE-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2Cl)C1	1893461914	UKZREFGQSBEHSI-OSMVPFSASA-N	218.684	-0.595	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475365	SPYPTWIYZWTHMQ-BGPJRJDNSA-N	221.640	-0.436	50	10	BBGE	
CN(NC(=O)[C@@H]1CC[C@@H]1N)S(=O)(=O)C1CC1	1901359520	YMEIAXHJVWJQNE-SFYZADRCSA-N	247.320	-0.821	50	10	BBGE	
CC(C)=C(CN(C)C1CS(=O)(=O)C1)B(O)O	1901633426	SLIBKICNNJSHBG-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@@H]1CO	1901757873	WTGLTBQUVIXNNN-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1csc(CN2CC3(F)CC2C3)n1	1902637075	GXGWGAXDHHHJTJ-UHFFFAOYSA-N	242.084	-0.491	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1Cc1nc(B(O)O)cs1	1902637588	NOZYWZNLVCZWTL-NKWVEPMBSA-N	244.100	-0.245	50	10	BBGE	
CN1CC[C@@H](OCc2nc(B(O)O)cs2)C1	1902653799	PEOBTZMJKVDIQO-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C=CCC2)c1F	1905410292	UMXJILQWQROPGS-ZETCQYMHSA-N	223.012	-0.002	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCC[C@@H]2C1=O	1906993838	MURIAHGPAHUCEC-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCC[C@@H]32)nc1	1907072860	QSQBMRUDKVQGBV-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2[C@H](C1)C2(F)F	1908918311	DRQFQOKOHUSGKC-SFYZADRCSA-N	249.261	-0.420	50	10	BBGE	
C[C@@H](CO)SCC1(C(=O)NN)CC1	1931266420	FNWDKXUYCAXGTC-LURJTMIESA-N	204.295	-0.130	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936083787	KIITUDWZGVVCDP-JGVFFNPUSA-N	226.280	-0.630	50	10	BBGE	
CN(C)CC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1936085334	QHJHEUDZLYRYKV-NXEZZACHSA-N	226.324	-0.894	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)cn1	1936092535	UVWITMWBRUPABS-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
C[C@]1(C#N)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936095490	XQGMVNRMMCWLAY-FXPVBKGRSA-N	222.292	-0.152	50	10	BBGE	
CN(C(=O)Cn1cnnn1)[C@@H]1COC[C@H]1Cl	1937159799	MMXWJILJKJHFNN-RNFRBKRXSA-N	245.670	-0.862	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@]1(C)CO	1938799558	PZQABLYKGGUAAQ-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CCNC(=O)N(C)Cc1ccc(B(O)O)s1	1939884904	IZDRPPDSBSITFO-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
CCNC(=O)N(C)Cc1sccc1B(O)O	1939886415	HXYCJMSVVOUDAB-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
Cc1ocnc1C(=O)N1CC[C@@H](B(O)O)C1	1951321103	YSYIXXBBNLHLKV-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
O[C@H]1C[C@@H](O)CN(CCBr)C1	1953270925	DLYLTRAIQWRLHX-KNVOCYPGSA-N	224.098	-0.191	50	10	BBGE	
O=C(CCl)N1C[C@H]2OCC[C@@H]2C1=O	1954075872	XADXXVIYUQGNOP-NTSWFWBYSA-N	203.625	-0.001	50	10	BBGE	
ClC[C@H]1C[C@H]1NCCn1cnnn1	1954307349	BTRXKOVOTPBNGZ-RNFRBKRXSA-N	201.661	-0.110	50	10	BBGE	
CO[C@@H]1CC(NC(=O)NN)C[C@H]1OC	1954927497	ZDORXVWIDWWOSR-RNFRBKRXSA-N	203.242	-0.648	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955550108	VDVWPJXSMPLXIJ-DFTQBPQZSA-N	221.684	-0.988	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCC(C)(C)C(=O)NN	1960618679	QLFUVMGEIGUJIH-HNNXBMFYSA-N	236.341	-0.423	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1961394482	SHXWCPQARDFEGI-NZFNHWASSA-N	233.337	-0.792	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]12CC[S@](=O)C2	1975996794	ZVMMJKUFWKTUDF-QFYYESIMSA-N	245.348	-0.647	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)OCCl)CC[C@H]12	1976104167	MSJYKQFRHNXTQC-NTSWFWBYSA-N	246.650	-0.086	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2CC[C@H]1O2	1980046508	NGXQXOUEMOFHBP-AXTSPUMRSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@H]2CCCCO2)C1	1981088666	LVTHENHYCNSYCB-BDAKNGLRSA-N	229.280	-0.160	50	10	BBGE	
C[C@@]1(F)CCN(c2ncncc2B(O)O)C1	1981414114	NXMXGSJNEFSNFV-SECBINFHSA-N	225.032	-0.905	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@@H](O)C[C@H]21	1984033066	IVXQNOUCLPBPQW-XVMARJQXSA-N	235.234	-0.933	50	10	BBGE	
CC1(C)[C@@H]2[C@H](CCN2CCC(=O)NN)[C@H]1O	1984033359	XWNWHVWIJWROGZ-UJNFCWOMSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1984542245	IUNWNXCZDIDYEX-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
C[C@@]12CC[C@@](CNC(=O)C(=O)NN)(CO1)C2	1988699248	BPVSVLNHLZOZBE-VHSXEESVSA-N	227.264	-0.948	50	10	BBGE	
C[C@@H]1C[C@]1(C)Cn1cc(B(O)O)ccc1=O	1988998154	UHFOWCNPGZEUHL-LDYMZIIASA-N	221.065	-0.426	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CC(F)(F)C(=O)NN	1990041684	VCMMFOWYONSUEM-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@@]12CC[C@@](CNC(=O)C(=O)NN)(C1)OC2	1990132389	FPPBCMDMUCLZMC-ZJUUUORDSA-N	227.264	-0.948	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCOC1	1990773829	AKNIEVFTRATFKX-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)N1CC(O)(C(=O)O)C1	1991454034	UFJVJZCXJXCVTN-PHDIDXHHSA-N	248.666	-0.545	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@H]1C(=O)O	1991693069	LCVFMPZPXZZRJQ-CSMHCCOUSA-N	246.694	-0.159	50	10	BBGE	
O=C([C@@H](Cl)[C@@H]1COCCO1)N1CCOCC1	1991788788	HXDTWTVEYSAZIN-IUCAKERBSA-N	249.694	-0.132	50	10	BBGE	
C=C(CN(C)CCc1ncccn1)B(O)O	1992167800	PYKDQDYVQSQZGI-UHFFFAOYSA-N	221.069	-0.481	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992326175	DMIKWZRLAIAGTD-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)C=CC(=O)Cl)[C@H]1O	1992725540	DXBNTWYEAHVPIG-IMTBSYHQSA-N	247.678	-0.038	50	10	BBGE	
CN(Cc1ncon1)[C@H](C(=O)NN)C(C)(C)C	1997754923	PTPRSRORUCPIRB-MRVPVSSYSA-N	241.295	-0.094	50	10	BBGE	
CCO[C@@H]1C[C@H](OC)CN(CCC(=O)NN)C1	2001046986	SSIMPEIMBPPZMU-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](c2ccnn2C)C1	2004399411	PKULGOYMHLTRBJ-IUCAKERBSA-N	237.307	-0.412	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(-n2ccnc2C)n1	2005007852	NOPUTMLOMHARRF-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@H]3C2)n1	2005017137	AGOWCQKYQLJXIP-DTORHVGOSA-N	233.080	-0.771	50	10	BBGE	
CC1(CO)CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010832359	HNHPPQCNCBMCFD-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
C[C@H]1C[C@H]1CCCOc1ncc(B(O)O)cn1	2011657279	UVKRSDCURXASRO-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)CC(=O)NN)C[C@H]1OC	2022123970	LKDOTOYKJPIYNT-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CN1CC2(C1)CN(Cc1ccccc1B(O)O)C2	2034805832	WLBVDACVQVFLBB-UHFFFAOYSA-N	246.119	-0.886	50	10	BBGE	
OB(O)c1ccc(N2CCN3CCC[C@H]3C2)nc1	2052473416	SEGZKCYOFDSNAI-NSHDSACASA-N	247.107	-0.954	50	10	BBGE	
Cc1nc(N2CCN(C)C[C@H]2C)ccc1B(O)O	2052625786	OSMOJZXDBYPDSX-SECBINFHSA-N	249.123	-0.790	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2071234936	FFSVBDKNBQQKHE-USNOUSKRSA-N	245.087	-0.570	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCOCC1	2079011000	XKQASFKZPZOLJM-UHFFFAOYSA-N	249.075	-0.771	50	10	BBGE	
C[C@H](CS[C@@H]1CCNC1)C(=O)NN	2209391641	NEKONDUAMJBWBR-RNFRBKRXSA-N	203.311	-0.293	50	10	BBGE	
CN1CC[C@@H](OCc2nscc2B(O)O)C1	2211138977	BEILVXAWOLPFRQ-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
NNC(=O)C1(Cn2ccnc2)CCOCC1	2212442592	KATHAFQJCXQOSD-UHFFFAOYSA-N	224.264	-0.330	50	10	BBGE	
OB(O)c1ccc(N2CC=C[C@H]2CF)nc1	2212603183	DBXBRTKKNZODEW-VIFPVBQESA-N	222.028	-0.524	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)C1(N)CC1	2212605990	MTBBXQTZNIQLTA-ZETCQYMHSA-N	222.053	-0.980	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2212606336	SCLAPPSSPSHMPQ-DTWKUNHWSA-N	222.053	-0.649	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1OCC[C@@H]1C(F)(F)F	2212646065	ZWIAVUSVFICRTQ-CRCLSJGQSA-N	240.974	-0.918	50	10	BBGE	
NC(=O)C1(NC(=O)NC(=O)CCCl)CCC1	2212656559	WOKWUIFYWDUCTI-UHFFFAOYSA-N	247.682	-0.151	50	10	BBGE	
CN1CCC(COCCOCC(=O)NN)CC1	2214844709	UVEOTYFHXPHQRN-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CN1	2217177511	JSRYDOILMANNFP-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccc(NC2CCC(O)CC2)nc1	2217177634	LEWAKCUBUCBVPR-UHFFFAOYSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1c1cc(B(O)O)ccn1	2217178797	AZAIEFMNJPHISH-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC2(F)F)[nH]c1	2217184021	PUQXJGKYNBIGAV-ZCFIWIBFSA-N	243.022	-0.965	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncc(B(O)O)cn2)CCO1	2217184277	OCVOFKQQYHMQSI-IONNQARKSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(N2CC3CC(C3)C2)cc1B(O)O	2217184957	SSFNWAZQKYYOFM-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
C[C@@]1(COc2ccc(B(O)O)cn2)C=CCN1	2217185946	DKBIRYDPJNVAMC-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Nc1ccc(B(O)O)cn1	2217200050	QQHKJMLGKHYDPY-IUCAKERBSA-N	235.096	-0.701	50	10	BBGE	
C[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CO1	2217200723	ASRLAZPDUDIZTO-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
Cn1nccc1CNc1ncccc1B(O)O	2217204965	RGYTVHHOICDFPZ-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCn1cc(B(O)O)cnc1=O	2217408676	IUXRYLHKNFGRQV-BDAKNGLRSA-N	236.080	-0.641	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CCNCC1	2220055868	AQQQJTYFRJZFOZ-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
CN(Cc1cncnc1)C[C@@H]1CC[C@@H]1C(=O)NN	2221565234	BRHARBJRTLKXSP-QWRGUYRKSA-N	249.318	-0.076	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1N[C@H]2CC[C@H]1C2	2223623545	ABLIRUMNBWNNOJ-ATZCPNFKSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNC3(CCC3)C2)c1	2223659764	BPAKNPPROICOHI-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
C[C@H]1C[C@H](CNc2ncccc2B(O)O)CCN1	2223670823	DBNCIWFMRURJGZ-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)C[C@@H]1CN	2223673150	DVCJMQNEKAXJSG-VIFPVBQESA-N	249.123	-0.818	50	10	BBGE	
O=C1[C@H]2CC[C@H]2C(=O)N1C[C@@H](O)CCl	2241503978	IUQJQMQJZKUEMB-LYFYHCNISA-N	217.652	-0.019	50	10	BBGE	
CN(Cc1nncs1)C[C@H]1C[C@@H]1C(=O)NN	2243295700	SBICUGOSZVSZPO-RQJHMYQMSA-N	241.320	-0.404	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccsc1B(O)O	2243362817	WYXREYWPSGDRNA-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
C[C@]12C[C@](NC(=O)[C@H]3C[C@@H]3B(O)O)(CO1)C2	2243391169	HHQKAPDBJDTQIO-YIKMNZTOSA-N	225.053	-0.713	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N(C)C	2243392078	RBLQETRZAKMMLT-VGMNWLOBSA-N	228.101	-0.694	50	10	BBGE	
CCS[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)C1	2243400188	WZXDTWAMHLXUHP-RKDXNWHRSA-N	241.121	-0.208	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2243414072	SPNCCNZJMZUUDS-KRTGUUSXSA-N	227.069	-0.779	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)sn1	2243414401	AAOWWRHMOTUOEP-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2243427137	QYGGSCWEPJKBTI-DJLDLDEBSA-N	229.085	-0.364	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H](C)[C@@H](C)C1)B(O)O	2243434436	YLPKYNRACPGVAV-OCAPTIKFSA-N	247.125	-0.528	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2244219380	KILIBJLVPPMNGE-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
CCCN(C[C@H](C)O)C[C@H]1C[C@@H]1C(=O)NN	2244879347	KFRRJEMPVHSUMU-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
O=C(Nc1cccnc1)c1coc(B(O)O)c1	2247724374	YHANEQASKGZHEP-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247733928	DZBZQPFSUFNFSI-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CN(C[C@]1(C)CCCCO1)C(=O)C#CB(O)O	2247747482	ODCJHPVDQSDZOK-NSHDSACASA-N	239.080	-0.581	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccc(F)c(B(O)O)c1	2247752110	IOEPKXFLLIBSCO-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1occc1B(O)O	2247756585	NZNVAHKCVDMQKU-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CCC1=O	2247855202	OQQNKGJZBYPIDA-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247859119	KMHQOWJRIIPGFC-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
CON(C(=O)c1occc1B(O)O)C1CCC1	2247879493	SWADYDJTDKZHHJ-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
Cc1cc(C(=O)N(C)CCC#N)oc1B(O)O	2247892375	ZMDXPHAOODGVDK-UHFFFAOYSA-N	236.036	-0.747	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](CN2)C1	2247895232	QDTIREUHUXRBLN-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
NC1(C2CN(C(=O)[C@H]3C[C@H](B(O)O)C3)C2)CC1	2247898055	ZZMPLCNJVQYAKH-XWEPSHTISA-N	238.096	-0.811	50	10	BBGE	
NC[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247898776	HQEYYCLZZLBRHC-LOKLDPHHSA-N	238.096	-0.953	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)OC(C)(C)C)n1	2247947985	CPNHLZNLTVJFOG-UHFFFAOYSA-N	240.068	-0.462	50	10	BBGE	
C[C@H](CCN)CCNc1ncccc1B(O)O	2248430788	CZAJXMJAEYPLCA-SECBINFHSA-N	237.112	-0.452	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]1C1CC1	2249416290	PKDHTVXGJJNONJ-JTQLQIEISA-N	235.048	-0.416	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2250993256	KIXSWNXBWBLOBF-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1CC12CC2	2255445337	ULUXPHKFUPFYGR-QMMMGPOBSA-N	249.075	-0.202	50	10	BBGE	
C=CC=CCCNC(=O)c1ncccc1B(O)O	2255518211	ZRRWQQBBCNDLAX-UHFFFAOYSA-N	246.075	-0.377	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1ccc(B(O)O)cn1	2255519642	ZYOIULUXYMEKSX-SNVBAGLBSA-N	248.091	-0.154	50	10	BBGE	
CN(Cc1ccnn1C1CC1)C(=O)C#CB(O)O	2255678293	BFFKYTWXHUYJEY-UHFFFAOYSA-N	247.063	-0.808	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCc2n[nH]cc2C1	2255685214	XIVGTSNVSHUVNY-UHFFFAOYSA-N	249.079	-0.453	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ccc(B(O)O)cn1	2255716289	BQBWARZPANTAJY-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@H]1COCCN1Cc1cccc(B(O)O)c1	2257639081	VRBSYSYCQHTZKB-ZDUSSCGKSA-N	247.103	-0.247	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2258139292	VFLACZVYVRJTPS-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
O=C(NC1C[C@@H]2COC[C@H]2C1)[C@H]1C[C@H]1B(O)O	2298375541	OAUZITNHRINLLJ-GTDKDYCYSA-N	239.080	-0.610	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2298376666	HSSOIAHJWABBDT-SDNRWEOFSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C(=O)[C@@H]2CCCC[C@H]21	2298377154	GNJQZCNPOKTKAK-FNCVBFRFSA-N	237.064	-0.223	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)C(=O)O	2301342473	ZNYVHIBFWRPNJS-LURJTMIESA-N	234.020	-0.877	50	10	BBGE	
CNC[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2301368882	RVKGJDBQRXHUIP-MRVPVSSYSA-N	234.064	-0.775	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)N3CC[C@@H](B(O)O)C3)C[C@@H]12	2303107671	ZMFOVKVHGSXHGO-LOKLDPHHSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](CN(CCO)C1CCOCC1)C(=O)NN	2307963433	YDEAZRXHCUHRJT-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
NC[C@@H]1C[C@H]1COc1ccc(C=O)c(B(O)O)c1	2317312454	HKUROZFPTUXOGB-UWVGGRQHSA-N	249.075	-0.848	50	10	BBGE	
CC(=O)NNC(=O)COc1ccc(N)cc1F	76851297	UCOCGRDXEARONE-UHFFFAOYSA-N	241.222	-0.046	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1C	82467542	ZESMCDLSJLZNPZ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC(C)N1CCN([C@@H](C)C(=O)NN)CC1	82467851	ISJTYUJQPAZADD-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
Cc1cc(C)n([C@@H](C)C(=O)NN)c(=O)n1	82468332	IUGIIMHCLXSULC-ZETCQYMHSA-N	210.237	-0.589	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C(C)(C)C)CC1	82471178	QIIWPVLZGVDWCS-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCCOC1	83590883	SQYLHMNEGRUGHK-YFKPBYRVSA-N	203.267	-0.723	50	10	BBGE	
CN(CC(C)(C)O)CC(C)(C)C(=O)NN	86598082	CBCWNLJGHPFNTF-UHFFFAOYSA-N	217.313	-0.295	50	10	BBGE	
C[C@H]1CN2CCC[C@@H]2CN1C[C@@H](C)C(=O)NN	94468133	VZFPGRLPOZSSRT-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
O=C1C[C@@]2(CCS(=O)(=O)C2)C(=O)O1	108993200	YGIAAYOHJUILCD-SSDOTTSWSA-N	204.203	-0.735	50	10	BBGE	
COC1(OC)CO[C@@H]2[C@@H](Cl)CN[C@@H]21	141238194	YZKRNJJJRBSVFQ-XVMARJQXSA-N	207.657	-0.047	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](CC(=O)NN)CC1	217988040	COWMVXUZQXBGNQ-MRVPVSSYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H]1CN(C(=O)CCl)C[C@@H](CO)O1	229951464	RKVZJQYAMSPCMS-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
CN1CC[C@H](NC(=O)NC(=O)CCCl)C1=O	230276606	POYVGXPSSSQILI-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
COC[C@@H](SCC[C@H](C)N)C(=O)NN	232421699	HYRQYNZQMRQGLN-NKWVEPMBSA-N	221.326	-0.538	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](OC)[C@H](OC)C1	233294154	FWWIADYFKXKFTL-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
Cc1nc(N2CCCC2)ncc1B(O)O	238524199	LVLNZJWPDNQWCO-UHFFFAOYSA-N	207.042	-0.935	50	10	BBGE	
N[C@H](CO)C(=O)OC(=O)c1ccccc1	238687453	QZAXCBHOJYLRBE-MRVPVSSYSA-N	209.201	-0.310	50	10	BBGE	
COC[C@@H](C)N(C)C[C@H](C)C(=O)NN	251085696	JCCMFXYBTKFJAL-JGVFFNPUSA-N	203.286	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H](C)CO	252813902	SEKZOANHLVRSMW-GJMOJQLCSA-N	203.286	-0.687	50	10	BBGE	
CN1CCC[C@H](NC(=O)CNC(=O)CCl)C1	258681931	IZNQOXGBMYOHJU-QMMMGPOBSA-N	247.726	-0.448	50	10	BBGE	
N#CC1=C(CN2CCNCC2)C=NS1(=O)=O	259982551	BGCBFBXMVUMINS-UHFFFAOYSA-N	240.288	-0.917	50	10	BBGE	
NNc1ccc(B(O)O)cc1CBr	306555675	HVSGZRJCQOWARW-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
CNC(=S)NNC(=O)CN1CCC(C)CC1	309145656	CZKXJCDYSGKDNS-UHFFFAOYSA-N	244.364	-0.157	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](C)(CN)C1	309482760	ZYNSNYSBTKTEOV-KOLCDFICSA-N	228.340	-0.184	50	10	BBGE	
N#Cc1cnn(Cc2cccc(C(=O)NN)n2)c1	310905577	DBJDMTKMVMYNPX-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
NC(=O)C1CN(c2nnc(CCCl)o2)C1	381924261	OCUURTLKSJFTNQ-UHFFFAOYSA-N	230.655	-0.228	50	10	BBGE	
COC(OC)c1ccc(B(O)O)s1	383437546	XWISGXNMIAIJPY-UHFFFAOYSA-N	202.040	-0.281	50	10	BBGE	
OB(O)c1ccnc(NCc2ccccn2)c1	383945676	HXFLKZXPFVJEHW-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1ccncc1=O	384995011	RGSHVQGWKJOYGH-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)C[C@@H]1C[C@H]1CNC(=O)C(=O)NN	388029583	HBGSOYZXQCYRLQ-SFYZADRCSA-N	213.281	-0.225	50	10	BBGE	
CCOC(=O)CCc1ccc(B(O)O)c(O)c1	396055155	JQWFSMPMMQUMHX-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1CC#N	396138248	NZRJZPONQZAOLW-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
CC(=O)Cc1ccc(CC#N)c(B(O)O)c1	396140989	YDTZKAFEPKVDGK-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Nc1sc2ccc(C=O)cc2c1B(O)O	396248907	FYOBZABTAMVVBQ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Nc1cc2ccsc2c(C=O)c1B(O)O	396273345	LAPMXMQXWXRNJA-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)CC[C@H]1C	399397101	DZPGWAYYNSKNGH-KATARQTJSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)[C@H](C)CC(=O)NN)CO1	401506487	GUYWAHIDGINLHR-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC[S@](=O)N(C)Cc1cccc(B(O)O)c1	404932356	MTOWTFWYWLNLOO-INIZCTEOSA-N	241.121	-0.518	50	10	BBGE	
Cc1cc(NC(=O)NC2CC2)cc(B(O)O)c1	405154470	VFFJNCAZAISNGW-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
CCC[S@@](=O)Nc1ccccc1B(O)O	405167672	ORLJSPASOSETRV-OAHLLOKOSA-N	227.094	-0.148	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)C[C@@H](C)[C@@H]1O	688122481	QROQQLKRSXMMHN-XAVMHZPKSA-N	215.297	-0.687	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@H]1C[C@H]1OC	689961791	QXNXPMCALXQPKC-RRKCRQDMSA-N	235.667	-0.082	50	10	BBGE	
C[C@@H](C(N)=O)N(C)[C@H](C(=O)NN)C(C)(C)C	711161220	REZMJGYWSWZZPH-NKWVEPMBSA-N	230.312	-0.803	50	10	BBGE	
O=C(NC1CC1)N1CCc2cc(B(O)O)ccc21	712147319	UHVOWDLKPJNWSN-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cn2cccnc2n1	757574233	IAGMAXSAWXSGJM-UHFFFAOYSA-N	246.274	-0.259	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1130344246	VTIAKUZPRKWHSC-UYXSQOIJSA-N	237.259	-0.282	50	10	BBGE	
CNC(=O)CCCCC(=O)NNC(=O)N(C)C	1142535063	JFJNKGXYKUFIMU-UHFFFAOYSA-N	244.295	-0.405	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1nccnc1N	1143340337	CRONOFNEANZAFC-LURJTMIESA-N	225.252	-0.984	50	10	BBGE	
NC(=O)c1cccc(C(=O)NNc2nc[nH]n2)n1	1183624596	PAUDVYVFJRFUNF-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
O=C(C[C@@H]1CCNC1=O)NNC(=O)NC1CC1	1334748914	YSMFIHSQGCJTDM-LURJTMIESA-N	240.263	-0.995	50	10	BBGE	
Cc1cc(=NNC(=O)Cn2nccc2N)cc[nH]1	1453855712	JJXBSWWRYANBSU-UHFFFAOYSA-N	246.274	-0.266	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1ncc[nH]1	1628720165	LBSCFCVOZQZBIC-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
Br[C@@H]1C[C@H]1CN=c1nn[nH][nH]1	1877379622	GAXAALFAPRNGOP-IUYQGCFVSA-N	218.058	-0.183	50	10	BBGE	
O=C(O)[C@H](O)CNC[C@H]1C[C@@H]1Br	1881362851	NTKZJYUIGMEIKV-NGJCXOISSA-N	238.081	-0.195	50	10	BBGE	
CNCCS(=O)(=O)NC1CC(Cl)C1	1881718135	CBIVRLUMVZHPJM-UHFFFAOYSA-N	226.729	-0.105	50	10	BBGE	
C[C@H]1CNC(=O)CN1C(=O)CCCl	1882315036	HVOPMPFGFMRUQG-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1C[C@@H]1CO	1883649522	RRKDVKCBPXJQGZ-IYTQHBPKSA-N	203.625	-0.195	50	10	BBGE	
O=C(COC1CNC1)NC1CC(Cl)C1	1884413214	WAPCJLYSVUZLTO-UHFFFAOYSA-N	218.684	-0.139	50	10	BBGE	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1O)OCCl	1884984644	OTKQMICEPSXOJF-UHNVWZDZSA-N	243.668	-0.933	50	10	BBGE	
CC1CN(CCC(F)(F)C(=O)NN)C1	1885135814	URDVHVHOPKSFTD-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CO[C@@H](C)COc1nc(B(O)O)cs1	1886078962	KETPLCIABLIVBD-YFKPBYRVSA-N	217.055	-0.763	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1CC(=O)NN	1887202036	PMAXFXDQVDFSEI-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@@H]1CC[C@@H]1N	1887485841	MFTIGUGJBJTCCR-CRCLSJGQSA-N	225.264	-0.166	50	10	BBGE	
CCOC(=O)c1csc(C)c1B(O)O	1892452662	VXVIUSBRWLXERN-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
O=C(NN1CCNCC1)C1CC(Cl)C1	1893488678	ZJTQWHQMOKOKKS-UHFFFAOYSA-N	217.700	-0.060	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	1894377306	WPSNWKMABQOGPY-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](Cn2cccn2)O1	1896930220	SQBUOGIKPFXWHC-IUCAKERBSA-N	224.264	-0.189	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@@H]2CCO2)c1	1901307613	UIIFTHLPIRNXQH-VIFPVBQESA-N	226.012	-0.327	50	10	BBGE	
CC(C)(CN)Oc1cc(B(O)O)c(F)cn1	1903026972	ZXRNGTZEWXBYSR-UHFFFAOYSA-N	228.032	-0.983	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1908365327	UBYINAODYZUACD-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](CF)C1	1927813901	VXPIBZDUTFBFLD-LURJTMIESA-N	225.214	-0.097	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1CCOC1	1927917598	LUYCQWZKUWONGA-XHNCKOQMSA-N	214.265	-0.335	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCOCC1	1928158018	YVXADJSFJJDSQD-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC[C@@H]1C	1929659142	JGFRRPSXHUYCBU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C(NNCCO)C(F)(F)C(F)(F)F	1929834553	DBFHSWKPLHWPKY-UHFFFAOYSA-N	222.113	-0.203	50	10	BBGE	
Cc1nc(=N[C@H]2CN(C)C[C@@H]2Cl)n(C)[nH]1	1930291120	IBVHTTADPAQYCU-YUMQZZPRSA-N	229.715	-0.121	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CCCO2)C1	1930891652	DQSMHGUJIUAJPZ-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2[C@@H](C1)C2(F)F	1931857353	GCDCZNDSWPYXKA-NKWVEPMBSA-N	219.235	-0.047	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1936093153	BFTVPZZGVFYASY-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
Cc1ccnc(SCCOCC(=O)NN)n1	1936525246	BTRKXWBXWZNZKY-UHFFFAOYSA-N	242.304	-0.116	50	10	BBGE	
Cc1cc2n(n1)CCN([C@@H](C)C(=O)NN)C2	1936913796	DCGUOJFQVLEQIV-QMMMGPOBSA-N	223.280	-0.614	50	10	BBGE	
CON(Cc1nsc(C(=O)NN)n1)C(C)C	1937115696	VLVYJGMOUYESLO-UHFFFAOYSA-N	245.308	-0.087	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@]3(CO)C2)CC1	1938233958	UBIPQEVWBBNJEU-KWQFWETISA-N	225.292	-0.929	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1941093818	TXVCVIRETUWAOG-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCCN2C)CC1	1941642507	KPELQTBGAORSAC-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCN1C[C@]23CC[C@]2(COC3)C1	1942757092	FTYNFBGFEZHMHU-TXEJJXNPSA-N	239.319	-0.131	50	10	BBGE	
CC(=O)NNC(=O)CN1CCNCC(C)(C)C1	1945301545	FVBGORJVOYGGEH-UHFFFAOYSA-N	242.323	-0.915	50	10	BBGE	
CC(C)(COC[C@@H]1COCCCO1)C(=O)NN	1948418191	SGFZCVIXPYJZHI-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
CN1CC[C@@H]([C@H]2CC(=O)OC2=O)CC1=O	1951739412	OZZATOBEZSKAKR-RNFRBKRXSA-N	211.217	-0.056	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccccc1S(N)(=O)=O	1952822525	ZWQSJAQFSDGNCA-VXNVDRBHSA-N	241.272	-0.782	50	10	BBGE	
O=C(CCl)C[C@H]1CNCCS1(=O)=O	1954336939	YAABNNOXQFHUKR-ZETCQYMHSA-N	225.697	-0.429	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@H]1CC(=O)NC1=O	1956859755	ZXMRJJPUBPSWPV-RITPCOANSA-N	215.640	-0.536	50	10	BBGE	
O=C(CCCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1958775760	WBTALRBPQQNYAP-YIKMNZTOSA-N	233.695	-0.042	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCOC[C@@H]1C(N)=O	1958796990	FRVKQMUSGIMASA-NKWVEPMBSA-N	234.683	-0.284	50	10	BBGE	
Cn1ccnc1[C@@H]1CCN(C(=O)NN)C1	1961476923	ZQZBOXLZELVHQS-SSDOTTSWSA-N	209.253	-0.207	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1961572214	QMPGGUVJWRMMIW-HXFLIBJXSA-N	213.281	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@H]2C1	1961587312	WNSXMOWQWBRQQF-YIZRAAEISA-N	213.281	-0.524	50	10	BBGE	
Cc1ncnc(O[C@@H]2C[C@@H]2C)c1B(O)O	1961687024	IMNAYXADTBAYIT-CAHLUQPWSA-N	208.026	-0.748	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@@H]21	1961695422	DALQBFZWSIJMFX-APPZFPTMSA-N	204.038	-0.640	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961926982	PNMNUTKRNFGIJW-DQUBFYRCSA-N	233.695	-0.042	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)C(C)(C)F	1962167778	GIRIOVHTHCNCTO-YFKPBYRVSA-N	221.232	-0.037	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCOC[C@@H]1C(N)=O	1962376747	NHAWJMWOVVTNLO-NKWVEPMBSA-N	234.683	-0.284	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NCB(O)O)(CO1)C2	1975070493	JVYLVMBKHNQNPY-IUCAKERBSA-N	213.042	-0.926	50	10	BBGE	
C[C@@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1975100839	JUOBAJIENRKPIJ-SFYZADRCSA-N	207.038	-0.816	50	10	BBGE	
CON([C@@H](C)CCC(=O)NN)[C@H]1CCOC1	1978750915	QVNDWBXJDFQGAR-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)C[C@@H](C)C(=O)NN)C1	1979300814	WFUUERHFVVZEHG-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	1981409934	TVDOSNQLVFYYKN-QMMMGPOBSA-N	221.069	-0.607	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981543812	RGDRJFKOHLZOAZ-GFMAATOTSA-N	227.308	-0.542	50	10	BBGE	
CO[C@@H]1[C@@H]2CCN(CC(=O)NN)[C@H]2C1(C)C	1984069866	RCGQZSLTWHDBPK-SZEHBUNVSA-N	227.308	-0.278	50	10	BBGE	
Cn1nnnc1N1C[C@H]2COC[C@@H](C1)[C@H]2Cl	1988210963	VYFASZXACRGBKK-RNLVFQAGSA-N	243.698	-0.100	50	10	BBGE	
CN1CCC[C@H](C(=O)NCC=CB(O)O)C1	1991326312	FNBCIPLUEMLYDP-VIFPVBQESA-N	226.085	-0.987	50	10	BBGE	
CNC[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648840	UGOUCJFDEJGJHI-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
C[C@H]1OCC[C@@]1(O)CNC(=O)/C=C/C(=O)Cl	1991706751	SWJBKHPYUOLZIK-DCMFILABSA-N	247.678	-0.036	50	10	BBGE	
O=C1CN([C@H]2C[C@H](n3cccn3)C2)CC(=O)O1	1997417741	HFFNRZJYOCACQP-KYZUINATSA-N	235.243	-0.028	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2COC[C@]2(C(=O)O)C1	1998066441	RHWMMEBXZJQHBF-OIBJUYFYSA-N	243.263	-0.794	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3OCC[C@@H]3O2)CC(=O)O1	1999558117	JUVKPVNLHFREIS-XHNCKOQMSA-N	241.243	-0.682	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1ccncc1B(O)O	2004918060	HABVWQLZLFYHSU-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C[C@@H]1C	2004921315	UPVPFGYQSYLPLU-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
CCc1nc(C)cn1-c1ncncc1B(O)O	2005005859	WXDALAIQSZSZJO-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
COc1nc(N(C)C2(C)CC2)ncc1B(O)O	2005014778	QMOOYABHECYOBO-UHFFFAOYSA-N	237.068	-0.846	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC1CCC1	2007065381	UFAJHAWYVPGPJI-UHFFFAOYSA-N	232.052	-0.694	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC[C@@H](F)C1	2008840289	KIIMXGDYQRANJC-WCBMZHEXSA-N	239.055	-0.334	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C[C@H]1C[C@H]1C(=O)NN	2012361876	JLFABRJTEQSUPQ-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](CO)C12CC2	2016080609	ONBBZEIKEHBZQT-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(c2cnn(C)c2)C1	2019132084	FQFNVXOFXQTKMA-SNVBAGLBSA-N	237.307	-0.412	50	10	BBGE	
CC[C@H](C)N(CCOC)CC(=O)NNC(C)=O	2019218710	HJEPPRLWJXBISJ-VIFPVBQESA-N	245.323	-0.099	50	10	BBGE	
C[C@H]1CCOCCN1Cc1ccc(B(O)O)cc1	2031610377	OOLMGBTYUZZZDF-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCc2nnccc2C1	2043020842	XVPZXUAYHPBBCL-NXEZZACHSA-N	247.302	-0.539	50	10	BBGE	
Cc1cc(N2CCN(C)[C@H](C)C2)ncc1B(O)O	2052472166	JXUPJTHGCHLLEK-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CN(c1ncccc1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2052494599	OBOPCLDPDURVEO-ZYUZMQFOSA-N	244.103	-0.148	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)ccc1B(O)O	2052623716	ALJJNCKUCGXUPF-BFLSOPEQSA-N	244.103	-0.086	50	10	BBGE	
COc1c(C#N)cc(B(O)O)cc1C=O	2060193035	LFWJESBFIXMVDN-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NNCCO)O1	2209647388	NBOFXJKWXIIQJD-JGVFFNPUSA-N	202.254	-0.443	50	10	BBGE	
CCN(C[C@H]1CC[C@@H]1C(=O)NN)C1COC1	2211839011	OOQPNNXEXSWOPW-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1ncccc1B(O)O	2212604248	NNGBZZIAHGUHGZ-YUMQZZPRSA-N	224.069	-0.734	50	10	BBGE	
C#CC1CC(Nc2ccc(B(O)O)cn2)C1	2212614742	GUCLZMCWUIPBKJ-UHFFFAOYSA-N	216.049	-0.415	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](CO)CC1CC1	2213909957	CPULQNBYMYKAPW-GARJFASQSA-N	241.335	-0.295	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)[C@@H]2C[C@@H]21	2216533854	HKMQTRABZZYQCU-VHSXEESVSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H](O)[C@H]2C3)CCC1	2216535124	WPOYWWXXZIURLO-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
CCc1nccn1-c1cc(B(O)O)c(C)cn1	2217161333	BWRPPVFIBWBEFQ-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
NC[C@H]1CC[C@H](Oc2ncccc2B(O)O)C1	2217174643	WTGOIKQDTZWJJB-IUCAKERBSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1c1ccc(B(O)O)cn1	2217185008	XOFRHITVEHYFTG-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
NCCC1(COc2cc(B(O)O)ccn2)CC1	2217191759	LBCFVMBMFXKASG-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
OB(O)c1ccc(OCc2ccccn2)nc1	2217192852	QMAFMBWZWBBATK-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
COC1(CNc2ncccc2B(O)O)CCC1	2217205114	TUZVCCDGKZTODY-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3CC[C@H]2C3)nc1	2217327646	ACSBJMHOCIFQGY-OYNCUSHFSA-N	234.064	-0.276	50	10	BBGE	
COC1CC2(C1)C[C@@H]2Nc1ncc(B(O)O)cn1	2223629568	VHOFZQDWHLTRRU-YUCVTWSNSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccc(NCc2ncccc2F)nc1	2223632324	IGXDQUKLPPXLAT-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@@H]2C2CC2)c1	2223634219	HSRBOBMDJXBDLM-ZYHUDNBSSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CO[C@H](C3CC3)C2)nc1	2223637672	REVJANKCAALHTC-UWVGGRQHSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCCNC1	2223637757	SJUZPJSKLHNXTF-JTQLQIEISA-N	249.123	-0.437	50	10	BBGE	
CC1(C)CCNCCN1c1ccc(B(O)O)cn1	2223643800	ANXSLEHLCDHDHT-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(N2Cc3conc3C2)c1F	2223648709	OSSCKSJQXYFNBK-UHFFFAOYSA-N	249.010	-0.591	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@]2(CCNC2)C1	2223650203	JRXIGTPZGLXKEH-WVSHTKLVSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncccn1	2223652316	ICUXNHOZDMZKGJ-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
OB(O)c1cccnc1NC1CN(C2CCC2)C1	2223675945	URUKFBFJRXYHIL-UHFFFAOYSA-N	247.107	-0.590	50	10	BBGE	
CN(C[C@H]1CCCCO1)C(=O)C#CB(O)O	2243398261	COTYUFDPWGEVTC-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C[C@@H]1N(C(=O)C#CB(O)O)CCOC1(C)C	2243398809	HDKBHANUGZHRGS-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
C[C@]1(C(F)F)CCN(C(=O)C#CB(O)O)C1	2243400523	COQRVEAPXUQAAF-VIFPVBQESA-N	231.007	-0.495	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cscc1B(O)O	2243411018	MCRGFYWRPQVZGS-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
COCCN(CCF)C(=O)[C@H]1C[C@H]1B(O)O	2243414876	JQLVROVNTXDLMF-JGVFFNPUSA-N	233.048	-0.706	50	10	BBGE	
Cc1csc(C(=O)N[C@@H]2C[C@@H]2C)c1B(O)O	2243415359	SRWXIEAJSNKKES-CAHLUQPWSA-N	239.105	-0.125	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243426289	GGPWKYQPOQDSMZ-VGMNWLOBSA-N	229.085	-0.531	50	10	BBGE	
CC#CC(=O)Nc1ccc(C)cc1B(O)O	2243673922	CDWHJFXURBQWDQ-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C=C(CN1CCO[C@@H](P(C)(C)=O)C1)B(O)O	2245221140	DVCIWHHRHMIYTM-VIFPVBQESA-N	247.040	-0.164	50	10	BBGE	
CO[C@H](CNC(=O)C1(B(O)O)CCC1)C1CC1	2247731928	AXKBRBCTHCHQGM-SECBINFHSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1coc(B(O)O)c1	2247736518	WHPODRHQHXDNPR-DTWKUNHWSA-N	235.048	-0.512	50	10	BBGE	
O=C(C#CB(O)O)NCCOc1ccccc1	2247741862	GYIIVTUXHGEWKK-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
CC(C)OCCNC(=O)c1ccc(B(O)O)o1	2247742713	SPNPPILULAMHGN-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CCC[C@H]21	2247747847	TWYNFEDWWRTZLG-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1occc1B(O)O	2247751374	WXDFGTSCKXFABW-GZMMTYOYSA-N	237.064	-0.122	50	10	BBGE	
Cc1nn[nH]c1CNC(=O)C1(B(O)O)CCC1	2247753141	BXQGCIYHMFYCNH-UHFFFAOYSA-N	238.056	-0.874	50	10	BBGE	
O=C(NCCC1CCOCC1)C1(B(O)O)CC1	2247753331	FQZPYCIPSCXKHY-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
O=C(N1CC[C@@H]2[C@H](CO)[C@@H]2C1)C1(B(O)O)CC1	2247753521	AEGQFFPJAZOKOU-YIZRAAEISA-N	239.080	-0.920	50	10	BBGE	
O=C(N1C2CCC1(CO)CC2)C1(B(O)O)CC1	2247754715	HKGMIEQIDXIDGV-UHFFFAOYSA-N	239.080	-0.491	50	10	BBGE	
N#Cc1cc(NC(=O)C2(B(O)O)CC2)ccn1	2247757663	RKJHTZSMSBZCCO-UHFFFAOYSA-N	231.020	-0.101	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)C3(B(O)O)CC3)C[C@H]12	2247759035	YFZAJWOYZLGSEH-XHNCKOQMSA-N	238.096	-0.811	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N(C)OC	2247788832	LSYXPUUIHSWDIY-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
O=C(NCCc1cnoc1)[C@H]1C[C@H](B(O)O)C1	2247798441	UCXNPCDFBRHMGB-KYZUINATSA-N	238.052	-0.414	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804410	GZPXQKPJGVHOAO-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ncc[nH]1	2247807498	IOBHDFWBWWIZJP-CSMHCCOUSA-N	237.068	-0.160	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCCCF)c1	2247854520	DPWNZFVSZFBLQT-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)C1CCCC1	2247858162	BKWKTZSGADMRBX-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H](C)CO1	2247859698	OEPOKVNUYNDAKR-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC(F)(F)C1	2247892615	DJZGKOJKTYQMIQ-KNVOCYPGSA-N	249.022	-0.309	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1N	2247899959	RTJHAPDYLFTZBI-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2247911749	YBYMLPLBSQGTCY-WOOKNIGNSA-N	243.112	-0.237	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N[C@H]1C[C@@H]1F	2247972830	SFOOYTBDURLHRU-IUCAKERBSA-N	238.027	-0.402	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cocc1B(O)O	2249411308	QWJCCAJESOLEAH-MATHAZKKSA-N	235.048	-0.512	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2249999043	QPPCAHRMYAYFSA-HPENLJRUSA-N	233.076	-0.590	50	10	BBGE	
OB(O)c1cccnc1N[C@]12COC[C@H](C1)C2	2250961927	MTGBSWPXMGBCRB-JLIMDTESSA-N	234.064	-0.648	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2251726382	JJYXNGUGXGZASE-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
Cc1ccc(CNC(=O)c2ccc(B(O)O)o2)o1	2255467290	KWVPTJLEDLIMTP-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CCC1CN(C(=O)c2nc(C)ccc2B(O)O)C1	2255488579	GWECZDMJHGNNLT-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCOCC1	2255515289	VNXXIERJGSUXHK-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)nn1	2255570655	IDHXLRFRVFXRNT-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255672721	LBUGUGSUMMHYOU-UHFFFAOYSA-N	248.091	-0.433	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC2(CCC2)C1	2255678725	CZEXAFRKLICNIF-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1C[C@@H]1B(O)O	2255771874	XYHRQRLMPVPLFB-HLTSFMKQSA-N	249.079	-0.823	50	10	BBGE	
O=C(N=c1cc[nH][nH]1)Nc1ccccc1B(O)O	2255890245	MXLDGMSEQNYXCL-UHFFFAOYSA-N	246.035	-0.845	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1O2)C1CC(B(O)O)C1	2298376448	WYPBXNHLQKZXQK-YSPNUELXSA-N	239.080	-0.325	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298674157	KDQZAYMUPQHJDW-IVZWLZJFSA-N	242.128	-0.352	50	10	BBGE	
CN[C@H](C)COc1ccc(C=O)c(B(O)O)c1	2301453051	PLYPHVJNVDRMPX-MRVPVSSYSA-N	237.064	-0.834	50	10	BBGE	
O=C(N1CCN[C@H]2CCC[C@@H]21)C1(B(O)O)CC1	2302884474	FTQSMMDPLHSVNP-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CCN(CC)C[C@@H](O)CN1CC[C@@H](B(O)O)C1	2303099824	SEZNWFSKPPPSED-GHMZBOCLSA-N	244.144	-0.762	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCc2cnccn2)C1	2303118697	DAVGQTXLWCJEBR-LLVKDONJSA-N	235.096	-0.042	50	10	BBGE	
CC[C@](C)(CN1CC(=O)N[C@@H](C)C1)C(=O)NN	2303427410	XZVSBOXBBDXFLU-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@](C)(CN1CCCOCC1=O)C(=O)NN	2303448391	YLHZIFFFAPOALE-NSHDSACASA-N	243.307	-0.359	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2303967799	RPYWTQKYALHNSF-RGOKHQFPSA-N	239.080	-0.443	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)C1CCOCC1	2307963167	VNFJIHYFQXNJEG-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2CC[C@H]1C2	2312849042	BSSYLVCPWVPXQQ-SCZZXKLOSA-N	248.091	-0.671	50	10	BBGE	
CC[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@H](C)N	2317209758	VKXXMYPPMXLRHO-GZMMTYOYSA-N	248.091	-0.257	50	10	BBGE	
O=C(O)CCC(=O)OOC(=O)CCC(=O)O	1596409	MKTOIPPVFPJEQO-UHFFFAOYSA-N	234.160	-0.283	50	10	BBGE	
O=C(N/N=C/[C@H](O)CO)c1ccccc1O	59382638	XKWMFFDCQSZRHA-AUEGDVLESA-N	224.216	-0.539	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](O)C1	70652467	DOBGPBDEAVEVPS-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
CN(CCO)C[C@H](C(=O)NN)c1ccccc1	80954617	QYXGDVDAKZLGLU-NSHDSACASA-N	237.303	-0.316	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1=O	86598184	YAMWFMPLQLTETI-ZCFIWIBFSA-N	227.264	-0.603	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)NNC(N)=S	86762408	WNSRCMXZVSKOMR-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
COCCOCCOC(F)(F)C(=O)NN	125983982	JFXBWKJOBIMNHS-UHFFFAOYSA-N	228.195	-0.751	50	10	BBGE	
CCOC(=O)/C=C\c1cccc(B(O)O)c1	199442343	UIZGQEYEJKAASO-SREVYHEPSA-N	220.033	-0.057	50	10	BBGE	
NC[C@@H]1C[C@@H](CCCB(O)O)[C@@](N)(C(=O)O)C1	214911313	NNSZEIYJQFZSNN-NQMVMOMDSA-N	244.100	-0.994	50	10	BBGE	
COC(=O)N[C@@H]1CCN(CCCC(=O)NN)C1	228340827	HNBLPHOJIHYMPT-MRVPVSSYSA-N	244.295	-0.813	50	10	BBGE	
NNC(=O)CCCCN(CCO)C1CCC1	228568800	HDZIYTFFNJCJNO-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
COC[C@@H](Sc1nc(C)ns1)C(=O)NN	232421819	XVRDWTDVZXASFJ-RXMQYKEDSA-N	248.333	-0.056	50	10	BBGE	
NC(=O)[C@H]1CCN(S(=O)(=O)CCl)C1	236206043	UEINRIIRDHHVBD-YFKPBYRVSA-N	226.685	-0.680	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H](N)C2)n1	236232674	XAQQHUQDMQWTNU-MRVPVSSYSA-N	235.291	-0.782	50	10	BBGE	
COc1ccc2c(B(O)O)ccnc2c1	238366458	PLQOHBQPGOSFDD-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
O[C@H]([C@@H]1CO1)[C@@H]1O[C@@H]1CBr	238716134	JWAUKJBDJBETJU-JGWLITMVSA-N	209.039	-0.092	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CC(C)(C)O1	251756851	SYBFJZRAYAUTRO-JGVFFNPUSA-N	215.297	-0.136	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1CCS(=O)(=O)C1	252745169	ULAJUSMMPGDFEE-JGVFFNPUSA-N	241.740	-0.295	50	10	BBGE	
O=C(/C=C/C1CC1)NNC(=O)[C@H]1COCCO1	266663760	DTCMASIDLLVAJJ-CDAZIORVSA-N	240.259	-0.485	50	10	BBGE	
CN1CCO[C@H](CN[C@H]2COC[C@H]2Cl)C1	306414487	OIZKOBZIDJROTL-BBBLOLIVSA-N	234.727	-0.087	50	10	BBGE	
NC(=O)NNC(=O)NOC/C=C/Cl	308179940	FRKGXMZCGBDEJY-OWOJBTEDSA-N	208.605	-0.447	50	10	BBGE	
CCN(CCCC(=O)NN)[C@@H]1CCOC1	308983184	FQXLIYKJMFMQLL-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCC1(O)CN(CC(C)(C)C(=O)NN)C1	384144380	NUSRNRQLCDDCMO-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
N[C@]1(C(=O)O)CC[C@@H](CCCB(O)O)C1	389738288	VCCFMKDTGKJZGE-VXNVDRBHSA-N	215.058	-0.178	50	10	BBGE	
C[C@H](Cl)c1n[nH]c(=N[C@H]2CN(C)NC2=O)o1	393917812	NDMDPIOBGCXBRD-WHFBIAKZSA-N	245.670	-0.452	50	10	BBGE	
C[C@H](CO)N(C)CCC(C)(C)C(=O)NN	395616081	PDGJOGSOQPVIAN-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1C#N	396111080	QRFMAMHKOIKYJB-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
O=C(O)c1cc2scc(O)c2cc1B(O)O	396381930	LSCKRBLMVFDHAO-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CCOC1	398857671	VNYLIXDTOMRMRB-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)CCCCC(=O)NN	400001519	YOKPEOWDIWHSSU-FVMDXXJSSA-N	249.380	-0.155	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	404980873	ILWUMFIKIOMULT-JOYOIKCWSA-N	247.103	-0.019	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCOC[C@H]1O	575562698	BEYCIJVBQDKQGB-LYFYHCNISA-N	207.657	-0.120	50	10	BBGE	
CN1N=C=C(Br)[C-]1C(=O)NN	642814377	BKMNDQOBVQMEPK-UHFFFAOYSA-N	218.034	-0.683	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)C[C@@H](C)O1	689142823	FAJDRDGALOPNEJ-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
COc1ncnc(N2CCC(O)(C#N)CC2)c1N	692164847	DOOVIZVQSPJHSF-UHFFFAOYSA-N	249.274	-0.078	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H]1COC2	695048485	HTMZHSQTYABVPY-XKNYDFJKSA-N	227.308	-0.136	50	10	BBGE	
C[C@@](O)(CN1[C@H]2CC[C@H]1C(=O)OC2=O)C(F)F	703445418	VZZMBBUCCKLLCQ-JFWOZONXSA-N	249.213	-0.081	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1ccccc1B(O)O	703517498	MUVMRSISRZNVDW-BXKDBHETSA-N	236.076	-0.082	50	10	BBGE	
COC[C@H]1CN([C@H](C)CCC(=O)NN)CCO1	705869821	PXBMJNQQFJNUBU-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CSCC[C@@H](NC(N)=O)C(=O)N(C)N	707522067	FQLMVOWDSRFUQS-RXMQYKEDSA-N	220.298	-0.892	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)C2CC2)CCC(=O)NC1	798826616	YRHGLOPMZMAERU-NSHDSACASA-N	239.275	-0.540	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)[C@H](O)C1CCC1	825421163	JOUUSTYKLGQFKX-SECBINFHSA-N	241.291	-0.112	50	10	BBGE	
O=C(NCC12CC(CN1)C2)NNc1ncccn1	851676664	FYTGFICMZSDUNO-UHFFFAOYSA-N	248.290	-0.145	50	10	BBGE	
CN1CC2(C1)CN(S(=O)(=O)CCl)C2	1260933167	ICSWHETYOYROFF-UHFFFAOYSA-N	224.713	-0.240	50	10	BBGE	
CON=CC(=O)NNC(=O)NCc1ccco1	1292125019	TYEKWMFFRGMACF-UHFFFAOYSA-N	240.219	-0.258	50	10	BBGE	
CCN(CCO)NC(=O)CCc1nc[nH]n1	1299917336	VUXSINGEYYNADL-UHFFFAOYSA-N	227.268	-0.917	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc[n+]([O-])cc1	1583489236	SAIOZDVKRDNANF-UHFFFAOYSA-N	224.220	-0.716	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)C[C@@H](C)O)c1O	1642192823	NKMHJAQRBNQVAI-RXMQYKEDSA-N	228.252	-0.619	50	10	BBGE	
COC(=O)C[C@@H](N)C(=O)NC[C@H](C)Cl	1865967681	FHEASKLROAVVBO-NTSWFWBYSA-N	222.672	-0.380	50	10	BBGE	
NC(=O)N1CC(NC[C@H]2C[C@H]2Cl)C1	1883553374	QLRNSGFWCFVREG-IYSWYEEDSA-N	203.673	-0.034	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H](C)S(C)(=O)=O	1884831598	RQUXAFUQEOIDHB-RNFRBKRXSA-N	237.708	-0.224	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)C[C@H]1CO	1886211588	LJGHCYLQCLMHCR-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
O=C(CCl)N1CCN2CCOC[C@H]2C1	1886682917	WUURPYOSFRTJPP-MRVPVSSYSA-N	218.684	-0.232	50	10	BBGE	
CC[C@H](C)NC(=O)NN(C)S(C)(=O)=O	1888571085	CELWODXBTJWLCO-LURJTMIESA-N	223.298	-0.110	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CCSC1=O	1893838084	QODWSGZNTDEWQA-YFKPBYRVSA-N	231.277	-0.160	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]2CF)O1	1896175781	LYNXQZNZQITBBB-YIZRAAEISA-N	231.271	-0.432	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](C)N1	1901340448	FAKAUUQTPDRZNI-HTQZYQBOSA-N	249.336	-0.560	50	10	BBGE	
C#CC(=O)Nc1cc(F)c(B(O)O)c(F)c1	1901987724	YGHIBKJTKXLQFI-UHFFFAOYSA-N	224.959	-0.784	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ncccc1B(O)O	1902365065	LAWRHVIJRFJZRT-SSDOTTSWSA-N	218.021	-0.724	50	10	BBGE	
CCc1cnn(CCO[C@H](C)C(=O)NN)c1	1903721741	WOTBBECBNIUNRZ-MRVPVSSYSA-N	226.280	-0.160	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@H](C(=O)NN)C(C)C	1907703249	BHCLXTLPXNVNIM-BBBLOLIVSA-N	245.323	-0.654	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C[C@H]1O	1908358094	LROGIXGLGNXNHR-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@@H]2CC[C@@H]21	1909252921	SNTIXMRZOYNZEU-CSMHCCOUSA-N	249.261	-0.543	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CCC[C@H]21)C(=O)NN	1912296600	KRXVEHLTWOVPJJ-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
CC1(C(N)=O)CN(C(=O)CBr)C1	1914231780	HJWJHMFSUPDAKS-UHFFFAOYSA-N	235.081	-0.285	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@H](C#N)C1	1914868476	DYMCEKVFTDLQPM-NXEZZACHSA-N	239.323	-0.715	50	10	BBGE	
C[C@@H](CCO)N(C)Cc1nc(C(=O)NN)co1	1916500412	KRAQDUSWJKRNNM-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
NNC(=O)C1(CN2CC[C@](F)(CO)C2)CC1	1917094891	DYQYFTZOKXAEFR-SNVBAGLBSA-N	231.271	-0.837	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CC2(CC2)C1)C(=O)NN	1926421550	RESUQAILTXLWBU-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CN1C[C@H](NC(=O)OCCl)[C@H](O)C1	1928758329	PLMSRRQECYYYBF-NTSWFWBYSA-N	208.645	-0.416	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CCS1(=O)=O	1930851859	CHULTPZFTKEMDB-PHDIDXHHSA-N	225.697	-0.083	50	10	BBGE	
C[C@H](CS(=O)(=O)N(C)C)NC(=O)CCl	1931244984	ZGGXVGFHBUGIAC-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1O	1931258583	CMKRMRKALVVFOD-YUMQZZPRSA-N	213.281	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C(F)(F)C1	1931821300	DFSXWMHZQAYAKB-PHDIDXHHSA-N	223.223	-0.933	50	10	BBGE	
CN1CCO[C@@H]2CN(C(=O)CCl)C[C@H]21	1933289780	MLPBTNHRFQKSLV-HTQZYQBOSA-N	218.684	-0.233	50	10	BBGE	
CN1CC[C@@H](N(C)CC(F)(F)C(=O)NN)C1	1935943867	HJOGTNRTBZHSJF-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
Cc1cn(C[C@H]2C[C@@H]2C(=O)NN)ccc1=O	1936079938	HIZZWGSQTKSOFR-BDAKNGLRSA-N	221.260	-0.217	50	10	BBGE	
COC[C@H]1CCCN1CCOCC(=O)NN	1936530756	CCCSKBVCXTZEKI-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)c1coc(CSCCCON)n1	1936841544	PHVIMOPVCQGHLF-UHFFFAOYSA-N	246.292	-0.208	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H]1COCCO1	1940290562	BXJCDFOPUCXDPT-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)[C@H]1C	1941087028	LFOFWBNMRSYCDM-XAMCCFCMSA-N	239.275	-0.747	50	10	BBGE	
CCCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941088018	OIVLSSQZOQILGJ-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]2COC[C@@H]21	1941090305	NTISREZUAVWGJQ-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945884140	LXYNVWCZUHQMOZ-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cc2nccnc2cc1Cl	1951325113	YZZCWNDXPPMPLX-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cnc2cnccn12	1953026424	NDAJJPAFJHQURL-IONNQARKSA-N	203.205	-0.386	50	10	BBGE	
NNC(=O)NC[C@H]1COCCC1(F)F	1955001253	WYBRRHSVDGYKIU-YFKPBYRVSA-N	209.196	-0.169	50	10	BBGE	
CC[C@@H](O)CN(C)[C@@H](C)CCC(=O)NN	1959517492	SHWWPJQTAKUAPI-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CC(C)C1(CN(C)C(=O)C(=O)NN)CC1	1960027655	ANZHAHOZIAGFHG-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@@H](N)C[C@H]2O)CC1	1960368929	YWIIHIOUOYKQPX-GMTAPVOTSA-N	207.277	-0.007	50	10	BBGE	
CCOCC1CN([C@H](C)CC(=O)NN)C1	1960429168	GOMDCKZVKZAILY-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)N2CCC(B(O)O)CC2)CO1	1971372986	PTMHORCGMRELNE-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@]12CCCO2	1976842548	VMHSTARLCLCCHW-XCBNKYQSSA-N	227.264	-0.854	50	10	BBGE	
CC[C@@H]1CCCN1c1ncc(B(O)O)cn1	1981410033	VADSIXFIMPYBKA-SECBINFHSA-N	221.069	-0.465	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ncncc1B(O)O)C2	1981413349	FSVMVOSRKFSBTA-GMSGAONNSA-N	219.053	-0.997	50	10	BBGE	
CCOC(=O)[C@@H]1CNCCN1C[C@@H](Cl)C#N	1982217015	RXFLYMQNGHMHTM-IUCAKERBSA-N	245.710	-0.046	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	1985791182	WHNMHYUEMBMEFF-BWZBUEFSSA-N	248.710	-0.302	50	10	BBGE	
C=C(CN1CCO[C@@H](COCC)C1)B(O)O	1992145658	MYVGIAQXDCEBOW-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(N2CC(F)C2)C1	1996926680	ROAZLMAAEMTIKI-MRVPVSSYSA-N	244.314	-0.517	50	10	BBGE	
C[C@@H](CN)[C@H](F)C(=O)N1CCC(O)(C#N)CC1	1998677104	GMZCZMOYRUPUEU-IUCAKERBSA-N	243.282	-0.204	50	10	BBGE	
COC1(C(=O)Nc2ccc(B(O)O)cc2)CC1	2001719310	HDNKWTGZRWPTCK-UHFFFAOYSA-N	235.048	-0.516	50	10	BBGE	
COc1cc(CN(C)[C@@H](C)C(=O)NN)ccn1	2002021324	NKVYCVMTKQNQRO-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(OC)CCC1	2002549959	YBBKXHKHUONARY-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CN(CCCC(=O)NN)CCN1CCOCC1	2003812438	KZPUCEXPLXMWNJ-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1ccc(B(O)O)cn1	2004911767	KPZJFKBKLKCBTE-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
CN(Cc1ccco1)c1ncccc1B(O)O	2004933246	DYDAQLWNMUSERX-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]2(C1)C[C@@H](O)C2	2011296650	DBGLQIORPIFLLN-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
COCCCNC(=O)N[C@@H]1CCC=C1B(O)O	2020062378	QLWGZWFDAGYQTM-SECBINFHSA-N	242.084	-0.577	50	10	BBGE	
CC#CC(=O)NCCc1cccc(B(O)O)c1	2025204050	MDGWMTMULHDEQR-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
COC1(CC(=O)Nc2ccc(B(O)O)cc2)CC1	2029933206	CVWOCYAEYARUHY-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)cc1C	2060146541	SKSWNYSAVAQDJV-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(C#N)c1B(O)O	2060284136	XTWVMBAMAVNNMM-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2085303648	PBCSLSLRXPOSIO-WCBMZHEXSA-N	247.302	-0.273	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1ccnnc1	2086133781	VDSGFCMPKHNRIX-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN(Cc1nscc1B(O)O)C1CC1	2209703499	SMASJGXPTCQJLU-UHFFFAOYSA-N	212.083	-0.583	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@@H](CF)C1	2211147759	XPZCZZCBTIPABA-ZETCQYMHSA-N	244.100	-0.386	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2212614637	FWDFTAHVXHKEMS-WCBMZHEXSA-N	222.053	-0.649	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2215002232	XWXOFBIVHKTHDF-POYBYMJQSA-N	235.052	-0.859	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215774787	FFQQMFVPOBRDFR-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@]2(OC)C1	2216674724	KYXNJKOJYKBEKV-NGZCFLSTSA-N	243.307	-0.898	50	10	BBGE	
N[C@H]1CCCC[C@H]1Oc1ccc(B(O)O)cn1	2217166821	JIRVTVRYHKJQIL-VHSXEESVSA-N	236.080	-0.590	50	10	BBGE	
Cc1cnc(O[C@@H](CN)C(F)F)cc1B(O)O	2217168533	VDZPXHHGPMUZJU-ZETCQYMHSA-N	246.022	-0.959	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2ccc(B(O)O)cn2)O1	2217174480	ZROAXUCVOWGNDZ-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ncco1	2217175687	MCVIJRNRCHTIHS-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
OB(O)c1ccnc(NCCc2cocn2)c1	2217176079	RAZZFNSXJZICLX-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
N[C@H]1CC[C@H](Oc2ncccc2B(O)O)CC1	2217180104	FJOTUABBGDUULJ-KYZUINATSA-N	236.080	-0.590	50	10	BBGE	
Cc1c[nH]c(=NCCC(C)(F)F)cc1B(O)O	2217181046	XLCJRURASBFIPV-UHFFFAOYSA-N	244.050	-0.051	50	10	BBGE	
C[C@](N)(COc1cc(B(O)O)ccn1)C(F)F	2217186866	PVZFCBDYKULJHX-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
CC1(Oc2cc(B(O)O)ccn2)CCOCC1	2217187210	VHZNEMINECDAIC-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CC1(C)C[C@H](Oc2cc(B(O)O)ccn2)CO1	2217191652	DCHOZSVOSPXLSE-VIFPVBQESA-N	237.064	-0.292	50	10	BBGE	
CCC[C@@](C)(CN)Oc1ncc(B(O)O)cn1	2217191904	VVSXKWLJRPEJLV-JTQLQIEISA-N	239.084	-0.947	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1c1cc(B(O)O)ccn1	2217199010	JCVJFWUXMQXUPP-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23C[C@H](CO2)C3)c1	2217204359	IPBZUVLLPMYLGR-DKTWLAJQSA-N	234.064	-0.648	50	10	BBGE	
C#CCN(CC1CC1)c1ncccc1B(O)O	2217205032	SELFYBPTLQCROL-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC3(CCC3)[C@@H]2O)nc1	2223643939	CEKAILSUUVLVQO-MWLCHTKSSA-N	248.091	-0.523	50	10	BBGE	
Cc1nc(CCNc2ncccc2B(O)O)no1	2223644784	NSNYWAJQWIHLPS-UHFFFAOYSA-N	248.051	-0.893	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@H]3CN[C@H]2C3)cc1B(O)O	2223646877	QLKKVNIJPYGXAT-KKZNHRDASA-N	247.107	-0.910	50	10	BBGE	
CN(C[C@@H]1CCCCN1)c1ncccc1B(O)O	2223666533	MIQQMHTULYPODB-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
Cc1ccnnc1CNc1cc(B(O)O)ccn1	2223677837	TZGWPTBYSFPFQJ-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
C=C[C@H](C)NS(=O)(=O)CC(=C)B(O)O	2241480199	FWTRLRPSVFLLTJ-ZETCQYMHSA-N	219.071	-0.952	50	10	BBGE	
COC[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243364105	QXHQNZUDCQHIKA-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1occc1B(O)O	2243365890	UNIYEDJVPVJQQF-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
C=CCOCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243395724	BDCJXIVMIBZUHJ-IUCAKERBSA-N	227.069	-0.490	50	10	BBGE	
CCN(C)S(=O)(=O)c1ccccc1B(O)O	2243399804	QNKVWRMDUCBABC-UHFFFAOYSA-N	243.093	-0.993	50	10	BBGE	
C=CC1(O)CN(C(=O)C2(B(O)O)CCC2)C1	2243410964	LHTVSXGZZDKCDK-UHFFFAOYSA-N	225.053	-0.857	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)O	2243414967	LSZKNBIXAKPGJI-LURQLKTLSA-N	229.085	-0.485	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1sncc1B(O)O	2243415325	SARMABSEYGZDIF-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)[C@H]1C[C@@H]1B(O)O	2243415522	WWGVCRDMXSKLAK-XGEHTFHBSA-N	227.069	-0.874	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)cs1	2243420065	MAFBHCLCIVYVSW-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
CN(Cc1csnn1)C(=O)[C@H]1C[C@@H]1B(O)O	2243427476	WHTUBUJHQYXZLL-BQBZGAKWSA-N	241.081	-0.641	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cscn1	2243668833	QZBMIHTZWJDFNA-ZETCQYMHSA-N	238.077	-0.026	50	10	BBGE	
C#CCC(=O)Nc1ccc(C)c(B(O)O)c1	2243685335	RWAFUANZNWXULU-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(B(O)O)cs1	2244269604	ZYMHSKYWAGNXTG-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1coc(B(O)O)c1	2247737189	DNBYNXNTKWOQFI-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@H]1C	2247747995	WFQSIAMHSVFLFJ-HTQZYQBOSA-N	236.080	-0.578	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@H]21	2247751108	SQVVNDVISQZUGH-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1F	2247752013	HAWCTNONCFQXTQ-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1F	2247755995	FKHDHBOYXZQUST-HZGVNTEJSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1C[C@H]2COCC[C@H]21)C1(B(O)O)CCC1	2247757756	RQOAABRGMNTUCE-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2247772372	UJEJOPXTUDJEFL-ZETCQYMHSA-N	234.064	-0.710	50	10	BBGE	
CC[C@H]1NCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787178	LUOSHILDSISTOR-UTINFBMNSA-N	240.112	-0.504	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](O)C(F)(F)C1	2247798562	VLFUAGMATWBJNT-FSDSQADBSA-N	249.022	-0.922	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247871636	FJSLPGWEHODCMR-IUCAKERBSA-N	240.112	-0.504	50	10	BBGE	
CON(C(=O)c1ccncc1B(O)O)C(C)C	2247872823	ZCORAJZECZZUCZ-UHFFFAOYSA-N	238.052	-0.827	50	10	BBGE	
O=C(NCC1CCNCC1)C1(B(O)O)CCC1	2247877966	GSRZJIPGMPVQGX-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CCNC[C@H]1CC2	2247886753	GATCWVDACVOMCV-DOLQZWNJSA-N	238.096	-0.798	50	10	BBGE	
COC[C@](C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)OC	2247888273	XXSOJUMCGNEVGF-NRPADANISA-N	245.084	-0.983	50	10	BBGE	
CCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894044	BSUANDWTLJHGPW-BIIVOSGPSA-N	243.068	-0.693	50	10	BBGE	
O=C(NCCCn1ccnc1)[C@H]1C[C@H]1B(O)O	2247896741	JWRPONXMSWKHCA-DTWKUNHWSA-N	237.068	-0.748	50	10	BBGE	
CN1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	2247899036	JSSULXRPFFIAJU-HRDYMLBCSA-N	240.112	-0.552	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCOC)C[C@@H](C)O	2250554842	YZLCWDADBHBDQN-NXEZZACHSA-N	247.339	-0.526	50	10	BBGE	
C[C@]1(CO)C=CCCN1c1cc(B(O)O)ccn1	2253432593	MJZSZMDTRMCTEW-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1[C@@H]2CCC[C@@H]12	2255456675	RCXRXGOVKKZOKW-RKDXNWHRSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1ccncc1B(O)O	2255457299	AKYRIPPDRNOCBF-PRHODGIISA-N	246.075	-0.566	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	2255476846	QTXYRDHTMXGLGX-NNYUYHANSA-N	245.087	-0.328	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1occc1B(O)O	2255490104	DKGFNMCEHXCGMW-HTQZYQBOSA-N	249.075	-0.265	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cncc(B(O)O)c1	2255521849	BTVATDVRECYFNE-GFCCVEGCSA-N	246.075	-0.707	50	10	BBGE	
O=C(Nc1cnc2nccn2c1)[C@@H]1C[C@H]1B(O)O	2255562854	AFYSNKAMDGPJLK-HTQZYQBOSA-N	246.035	-0.469	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccoc1B(O)O	2255716060	NXWMJPOCMPIFLM-SSEFDENASA-N	247.059	-0.656	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1cc(B(O)O)n[nH]1)C2	2255762014	OVOUOPJLHXGAON-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255789319	FGCLBWAIZVYMMZ-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)ccc1O	2256019108	WGGKVTVSCMAXCW-VIFPVBQESA-N	247.059	-0.480	50	10	BBGE	
O=C(NCc1c[nH]nc1C1CC1)[C@@H]1C[C@@H]1B(O)O	2257181627	IWZWJMWEVHPNRI-BDAKNGLRSA-N	249.079	-0.234	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257486038	DKPIWLSHCORFNC-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
CCn1cnc(NC(=O)c2cc(B(O)O)co2)c1	2258150880	HMZJSVDQYNGEBD-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CC(C)[C@@H](C)[C@@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298374645	HCDBDVKAUWHWMT-KYXWUPHJSA-N	242.128	-0.415	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376057	GCRPUAZTHSUROA-KDXUFGMBSA-N	240.112	-0.661	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2NCC[C@H]2C1	2298376190	MTCXIMDYIDFDFL-JLIMGVALSA-N	238.096	-0.940	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1COC[C@H]1[C@@H]2COC[C@H]12	2303014007	UICAQDWXYXOIDR-QGKZMRNZSA-N	240.303	-0.089	50	10	BBGE	
O=C([C@@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@@H](B(O)O)C1	2303103535	FMDSYJBOBZIPII-LSDHNKLTSA-N	235.092	-0.036	50	10	BBGE	
CCc1cnn(CCN(C)[C@@H](C)C(=O)NN)c1	2306282597	DWIHVHWQTYWJAR-VIFPVBQESA-N	239.323	-0.244	50	10	BBGE	
C[C@@H]1NCC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311623	SGPFVTDGTCTGCM-QPUJVOFHSA-N	249.075	-0.692	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NN	42871010	IHLINNLQVGSTDX-HTQZYQBOSA-N	213.281	-0.081	50	10	BBGE	
NC(=O)N/N=C/c1ccc(C(N)=O)cc1	43907043	IIVIUBCPFGDRCI-LFYBBSHMSA-N	206.205	-0.212	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc(C)ccc1=O	71515400	NSLPXGRCHOSARC-UHFFFAOYSA-N	223.232	-0.676	50	10	BBGE	
CN(C)[C@@H]1CCN(CCC(=O)NN)C1	82469322	PKCIJEXKWBFXNR-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CCN1C	82485320	YVAQAUFTRCDUAJ-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
C[C@@H](NC(=O)CBr)C(N)=O	82506447	ULKSMHRSQATFHF-GSVOUGTGSA-N	209.043	-0.629	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC(C)(C)O	86275174	VADRKBAXAHLFJE-QMMMGPOBSA-N	217.313	-0.296	50	10	BBGE	
Cn1ccn(CC(C)(C)C(=O)NN)c1=O	87667108	WXLOFAJVPJIVLX-UHFFFAOYSA-N	212.253	-0.797	50	10	BBGE	
C[C@H]1CN(CC(=O)NNc2ccccn2)CCN1	88059963	ZTRFWARJZGOOBL-JTQLQIEISA-N	249.318	-0.182	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@@H](C)[C@@H](C)C(=O)NN	93072125	QNQHHVROZLRSTA-BDAKNGLRSA-N	244.339	-0.589	50	10	BBGE	
COC(=O)[C@H]1C[C@@H](OC(=O)CCl)CN1	98089200	FMGCHSNFZUXZHN-PHDIDXHHSA-N	221.640	-0.328	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)[C@@H](C)CC(=O)NN	134790167	DUPQMPKJZGPWOP-CIUDSAMLSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)N=C=O)C[C@@H](C)O1	157732622	JNEITNMWTUELAL-RNFRBKRXSA-N	220.250	-0.324	50	10	BBGE	
O=C(Nc1ccccn1)c1ccc(B(O)O)cn1	204910915	PHRRMQJSEYFRMK-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	223086854	UFGQXKRXXUYCKW-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](O[C@H](C)C(F)(F)F)C(=O)NN	232418512	HEJMIVNDOUSSSJ-RFZPGFLSSA-N	230.186	-0.041	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCOC1	251255946	VFONDSSDXVKAOR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H]1C	251265022	ZESMCDLSJLZNPZ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COc1ccc(C)cc1[C@H](N)C(=O)NN	258994183	LRINWJMTYSJVJF-VIFPVBQESA-N	209.249	-0.007	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)c[nH]1	293770922	DMHPRNAUVRTMCM-SECBINFHSA-N	248.242	-0.174	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)[C@@H]1CO	299908156	IINYEPSVQJAEAU-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccccc2B(O)O)C1	300040010	IHUBKXWBKCAYKP-LLVKDONJSA-N	235.092	-0.413	50	10	BBGE	
O[C@@H]1[C@H](CBr)O[C@@H]2CO[C@H]12	306287602	ZTXUBLPOYITECL-KCDKBNATSA-N	209.039	-0.092	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](C)(CN)C1	306509328	BMEZSFSTHOUGJE-VXNVDRBHSA-N	200.286	-0.965	50	10	BBGE	
C[C@H](NC(=O)CBr)c1nc(=O)[nH][nH]1	306701800	LJPZPXWTNAFUPW-VKHMYHEASA-N	249.068	-0.330	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	309288561	PJPKQTMWMBZGPA-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
NC(=O)CCCNc1nc(N)nc(CCl)n1	309337939	VYCPPMFXKAEDRA-UHFFFAOYSA-N	244.686	-0.130	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@@](C)(CN)C1)C(=O)NN	309446402	POGNFZZVQMAUPE-YWVKMMECSA-N	228.340	-0.471	50	10	BBGE	
CNC(=O)CN(C)C(=O)NCCCl	388661785	VNKONLTWRMPNQS-UHFFFAOYSA-N	207.661	-0.387	50	10	BBGE	
OB(O)c1cccc(CNC2CCNCC2)c1	394742381	JBHCDQLNKZDSPR-UHFFFAOYSA-N	234.108	-0.792	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)C[C@H]1O	395927951	GZJMKJOUOXCIOO-BWZBUEFSSA-N	209.673	-0.722	50	10	BBGE	
COc1c(CCC#N)cccc1B(O)O	396032640	NQMWAFKKZZVDNX-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
CCc1c(CCC(=O)O)cccc1B(O)O	396058372	OOZLMQGKSUGGPE-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1C=O	396059804	YYXMBAWAQSSUFK-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CCOc1cccc(B(O)O)c1CCC=O	396102494	SJDKXONHGZTZOJ-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
NNC(=O)CCCN1CC(OC(F)F)C1	399931702	ORFIEIMUWKIFCS-UHFFFAOYSA-N	223.223	-0.320	50	10	BBGE	
CCOC1(C)CN([C@@H](CC)C(=O)NN)C1	399956411	VZJNYHCALVMFHV-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@@H](O[C@H](COC)C(=O)NN)C(C)C	404139514	YJRTZNWCUMWPNP-RKDXNWHRSA-N	234.296	-0.321	50	10	BBGE	
COCCC(=O)NCc1ccc(B(O)O)cc1	404930858	DFQMXVKBHOCCTC-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
CC(C)[S@@](=O)NCc1cccc(B(O)O)c1	405017680	GHYIXMGURWDICL-MRXNPFEDSA-N	241.121	-0.472	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CCCC(=O)NN	686194321	XJZBGNPUUWBZAW-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
NC(=O)N[C@H]1CCN(S(=O)(=O)CCl)C1	690802370	BUKLAPKATZNUNJ-YFKPBYRVSA-N	241.700	-0.745	50	10	BBGE	
CC(C)[C@H]1C[C@H](N(C)CC(=O)NN)CO1	700922362	PGOUHTSIVNEUDH-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
COC[C@H](Cl)CNCCn1cnnn1	712590692	FEXGYBZWZVTPED-SSDOTTSWSA-N	219.676	-0.484	50	10	BBGE	
O=C(NCC1(CO)COC1)OCCl	717599002	ZSZRDGQRHLNKDG-UHFFFAOYSA-N	209.629	-0.082	50	10	BBGE	
C[C@H](O)C1CN(Cc2nc(C(=O)NN)co2)C1	719811651	PVSVEKCCVPMQNG-LURJTMIESA-N	240.263	-0.909	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1ccnnc1	753970410	HXIRGZVJIGQUFR-UHFFFAOYSA-N	216.147	-0.497	50	10	BBGE	
CO[C@@H](C)C(=O)NNc1nnc(C)n1C	856049735	BGAHMYNNJKIIJI-YFKPBYRVSA-N	213.241	-0.398	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	910185758	YDXCCNDOQOMWSB-HRDYMLBCSA-N	243.307	-0.768	50	10	BBGE	
C/C(Cl)=C/C(=O)NNC(=O)c1cn(C)nn1	912283003	UIYXQTPFKNSSBS-HYXAFXHYSA-N	243.654	-0.281	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)Cc1nnc(N)s1	1299923889	VMILZTOTZGVGIA-YFKPBYRVSA-N	245.308	-0.993	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1	1332891987	BRLLGSRZNHLRTQ-POYBYMJQSA-N	238.247	-0.404	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	1333766379	IVLWQNPUZQAPPK-JIGDXULJSA-N	243.332	-0.218	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCc1cn(C)nn1	1334203430	RKDGVUDLCMMNNV-MRVPVSSYSA-N	241.295	-0.909	50	10	BBGE	
N#Cc1ccc(NNC(=O)Cn2cnnn2)nc1	1471768484	VSZGXZJOGRLXFA-UHFFFAOYSA-N	244.218	-0.917	50	10	BBGE	
CCNC(=O)NNC(=O)/C(C#N)=C/OCC	1542342287	QMCJJUZJKFLCBR-VOTSOKGWSA-N	226.236	-0.219	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1ncccc1N	1546090082	DRTGMNIKHIWXOZ-UHFFFAOYSA-N	237.263	-0.030	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)NC1CC1	1625703242	UWJDQVHNEMVKBC-QMMMGPOBSA-N	226.280	-0.427	50	10	BBGE	
COCCN(C)NC(=O)c1cnn(C)c1N	1635260278	FSIIDVWXAAGJGM-UHFFFAOYSA-N	227.268	-0.775	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1Br)C(N)=O	1881366207	PMYJSFBMNNWGAV-WISUUJSJSA-N	235.081	-0.240	50	10	BBGE	
C=C(CSCCS(C)(=O)=O)B(O)O	1883743664	ABWITCACMOFYFP-UHFFFAOYSA-N	224.112	-0.668	50	10	BBGE	
COC1(C(=O)NC2CC(Cl)C2)CNC1	1884411347	BGSXJSBIHICXGV-UHFFFAOYSA-N	218.684	-0.139	50	10	BBGE	
CN(C)C(=O)C1CN(C[C@@H](O)CCl)C1	1884893168	CBLLXWIBAVTVPN-QMMMGPOBSA-N	220.700	-0.394	50	10	BBGE	
C[C@@H](CCl)CNS(=O)(=O)c1nc[nH]n1	1885226059	JJQWQQMGCXQRMX-YFKPBYRVSA-N	238.700	-0.042	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1[C@@H](C)O	1885791117	QZJHVQHSXNMMPA-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](CN1CC(F)(C#N)C1)C(=O)NN	1888382183	RQQWORPXNRHFGG-ZCFIWIBFSA-N	200.217	-0.840	50	10	BBGE	
C=CC(=O)NN(C)S(=O)(=O)CCC	1888563815	RZTQIJOQHHSNIF-UHFFFAOYSA-N	206.267	-0.125	50	10	BBGE	
NCCNCCS(=O)(=O)C[C@@H]1C[C@@H]1Cl	1893100224	UDMRSVNLWSWHPN-YUMQZZPRSA-N	240.756	-0.423	50	10	BBGE	
CS(=O)(=O)C1(C(=O)CCl)CNC1	1893426515	UJNNUHNCBLTJIQ-UHFFFAOYSA-N	211.670	-0.819	50	10	BBGE	
CS[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NN	1893803783	JLHJDYMAFXDFOB-NTSWFWBYSA-N	217.294	-0.671	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=N[C@@H]2CC[C@@H]2O)[nH]1	1898103167	KZHVXAFUWJKFRA-JKUQZMGJSA-N	243.698	-0.059	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN(CCC(=O)NN)C2	1899569211	RGVXLVHUSLNKAK-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1C[C@H]1CN	1901339585	PVSNPLQTRRCQOD-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
CC(C)=C(Cn1cc(C)cnc1=O)B(O)O	1901625278	LIDBYDHYWNLFET-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC[C@H]1[C@@H]2COC[C@H]12	1902468447	OSASIYUIZCYUCO-BQHMLIOBSA-N	226.276	-0.479	50	10	BBGE	
CCNC(=O)[C@@H](C)N1CC[C@@](C)(B(O)O)C1	1902528928	KKZHHGZGNSRIQH-PSASIEDQSA-N	228.101	-0.550	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	1904370511	PHAQQHBCHYIDDQ-AATLWQCWSA-N	227.308	-0.400	50	10	BBGE	
C=C(COC[C@H]1CCc2nccn21)B(O)O	1904735116	PHXNMRCTEGUISE-SECBINFHSA-N	222.053	-0.045	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CCNO2)CC1	1917049335	UZQSEELRDGCEKU-VIFPVBQESA-N	207.233	-0.038	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC(F)(F)C1	1927812484	LHJHPVYHCAYEGU-UHFFFAOYSA-N	229.177	-0.047	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1[C@H](C)C(=O)NN	1928067813	AOQQBTWWFYWRBM-SCSAIBSYSA-N	213.197	-0.349	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CSC2)C1	1928604284	BBTHXYWOQSIEMP-ZETCQYMHSA-N	231.321	-0.960	50	10	BBGE	
O=C(C[C@@H]1CCCCO1)NNCCO	1929834557	DCEVRRMAKMGGKM-QMMMGPOBSA-N	202.254	-0.441	50	10	BBGE	
C[C@@]1(CO)CCN1CC1(C(=O)NN)CC1	1932968141	ULMHVVWIYQYUOZ-VIFPVBQESA-N	213.281	-0.787	50	10	BBGE	
COC1(CCl)CN(Cc2nnnn2C)C1	1935348777	PZPLKKJRIXZKDB-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@H](C1)C2(F)F	1936093312	CVPZXZZMXRYLCW-XUTVFYLZSA-N	231.246	-0.191	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(O)(C2CC2)C1	1936093953	IZQKESHMXXKUJZ-CBAPKCEASA-N	225.292	-0.931	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1CCl)[C@@H]1COCCO1	1937180144	DHEVLZZPNYODOT-HLTSFMKQSA-N	249.694	-0.228	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(N(C)C)C1	1937545251	KHIFMFMGCWXEDF-GXSJLCMTSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)CC1(C(=O)NN)CC1	1938245812	ASPOMHCOFPTVFH-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2CC[C@H]21	1938601516	SAZVVIXDNNEPRM-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1941081685	CDRCKSVGJYOZLJ-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
CN(Cc1nccn1C)C[C@@H]1C[C@@H]1C(=O)NN	1941081730	XYRPZDJDXMQKSJ-IUCAKERBSA-N	237.307	-0.522	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1(C)C	1941089607	WMGCASKWDNHKOP-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCCCO1	1941784087	JIUPVCKUSVVYHK-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN(C)C(=O)CC1	1947185870	JQPAXKNJUMGRTG-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC[C@@]1(C)CN([C@@H](COC)C(=O)NN)CCO1	1947269417	YYBAQFMCSYLQCV-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2C[C@@H]2CCl)n1	1955089350	CGGMBPPSXJTQCK-RFZPGFLSSA-N	215.644	-0.433	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@@H]2COC[C@@H]21	1955242108	UFDYFXZFPYGTCX-OOJXKGFFSA-N	219.668	-0.168	50	10	BBGE	
C[C@H](CO)N1CCN(C(=O)CCl)CC1	1956728240	IFRWWBRKTBLBPT-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
CNNC(=O)c1ccc2nnc(C)n2c1	1958558941	FNHCTIZXPVRVQN-UHFFFAOYSA-N	205.221	-0.098	50	10	BBGE	
CCCc1ocnc1C(=O)NNCCO	1958687305	QVPZJLGILXBAGM-UHFFFAOYSA-N	213.237	-0.146	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCN(C[C@H](O)CCl)C1	1960159267	LEQLELPOIHJHOU-RKDXNWHRSA-N	234.727	-0.004	50	10	BBGE	
O=C(c1ccc(CO)cc1)N1CC[C@H](B(O)O)C1	1964510603	NUAKBJTZEOWPOF-NSHDSACASA-N	249.075	-0.132	50	10	BBGE	
CC1(CF)CN(CC(F)(F)C(=O)NN)C1	1975032068	ATHJUOCTXVMTKE-UHFFFAOYSA-N	225.214	-0.097	50	10	BBGE	
CC(C)CCC(=O)N[C@H](CB(O)O)C(=O)O	1976996522	ZPMDMCLJBWFAGE-SSDOTTSWSA-N	231.057	-0.535	50	10	BBGE	
CCCc1nccn1-c1nc(B(O)O)cs1	1981464196	AJWNFEOPXBOSDL-UHFFFAOYSA-N	237.093	-0.039	50	10	BBGE	
CN(C)NC(=O)N[C@](C)(C(=O)O)C(C)(C)O	1984075361	IJOLUSXRUSYUQU-SECBINFHSA-N	233.268	-0.624	50	10	BBGE	
CN(CC1C[C@@H]2CC[C@H]2C1)C(=O)C(=O)NN	1988192586	XPLKOVVZGZSUEO-IUCAKERBSA-N	225.292	-0.129	50	10	BBGE	
CC[C@]1(C)C[C@@H](N(C)C(=O)C(=O)NN)CO1	1988316672	VMXSVDZIRYSNKV-GMSGAONNSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CC(C)(C)C(=O)NN	1990041474	RUVPELHBNYKUPU-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2conc2C1	1990772226	HNPARKRMPCMWDZ-UHFFFAOYSA-N	224.220	-0.843	50	10	BBGE	
NNC(=O)CCN(CC(F)(F)F)C1COC1	1991227437	KYQKAEGFCWNSBR-UHFFFAOYSA-N	241.213	-0.371	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)C12CCC2	1993528344	JLHBUOQRTWTHFY-ZCFIWIBFSA-N	235.234	-0.789	50	10	BBGE	
C[C@H](Cc1ccncc1)N(C)CC(=O)NN	1994074977	UXGPAQVBTSFAJH-SECBINFHSA-N	222.292	-0.066	50	10	BBGE	
CCCN(CC)C1CN(CCC(=O)NN)C1	1994902202	FKVMKXWQMHSHLU-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C#CCC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1996930430	RLIFMWBDNMYFQT-SNVBAGLBSA-N	235.287	-0.396	50	10	BBGE	
OB(O)c1ccc(N2CC3(CC(F)C3)C2)nc1	2004912591	VRIZGHJLXUGNCI-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@H]21	2004919255	WOHOETSPWGFWSZ-SZEHBUNVSA-N	233.080	-0.609	50	10	BBGE	
COCCN(CCF)c1ccc(B(O)O)cn1	2004919666	BVKSLUMTJFXBOV-UHFFFAOYSA-N	242.059	-0.816	50	10	BBGE	
CN(C[C@@H]1OCC[C@@H]1F)CC1(C(=O)NN)CC1	2009201016	DSHJVAMUQYXNGJ-IUCAKERBSA-N	245.298	-0.185	50	10	BBGE	
C[C@@]12CCCN(C(=O)C(=O)NN)[C@H]1CCOC2	2009419625	KCOJPAPTCOKBDR-KWQFWETISA-N	241.291	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCC(O)CC2)C1	2010499906	FQKWLCVHDCPNDZ-SNVBAGLBSA-N	241.335	-0.008	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCC(C)(C)C(=O)NN	2014270540	LQRRRKYBUBYSAE-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NNC(C)=O)CC[C@H]1C	2019212091	KNPFCQJJDWTDDL-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)C1(F)CC1	2025669932	OPNCWWQULCOCDC-UHFFFAOYSA-N	241.002	-0.054	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1CC12CCC2	2032135264	MFCVZTXYXYMNFZ-SECBINFHSA-N	246.075	-0.110	50	10	BBGE	
CN1CC2(C1)CN(Cc1cccc(B(O)O)c1)C2	2034804510	JVTNBEBMFFSMRD-UHFFFAOYSA-N	246.119	-0.886	50	10	BBGE	
Cc1cocc1C(=O)Nc1ncc(B(O)O)cn1	2040768820	KKGAIPXYYISOFY-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
OB(O)c1cccc(CN(C2CC2)C2COC2)c1	2043201273	MKMDORHMZHTEIW-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
NNC(=O)c1cccc(CN2CCO[C@@H]3C[C@@H]32)n1	2051853712	LGHJGXWSXYBAMU-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
Cc1nc(N2C[C@H]3[C@H](C2)C3(C)C)ncc1B(O)O	2052554539	WDUQGBYCDJKJQW-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N2[C@H]3CCC[C@H]2CC3)ncc1B(O)O	2052556190	HRHVRYKCJKYWNU-UWVGGRQHSA-N	247.107	-0.014	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1CC=CCC1	2058210433	JWKMJXSYMRJLMI-UHFFFAOYSA-N	247.063	-0.445	50	10	BBGE	
CCn1ncc(B(O)O)c1OCC1CC1	2060004107	YQXDHKXQYUWJOK-UHFFFAOYSA-N	210.042	-0.628	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC=C1CCC1	2081595309	UPQSTKOMRSWULF-UHFFFAOYSA-N	244.063	-0.384	50	10	BBGE	
OB(O)c1cnc(OCc2ccc(F)cc2)nc1	2083845858	HONCMCRYWZKPOZ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H](C)[C@H]3C2)ncc1B(O)O	2085518083	BQHMOKHCRQLFBF-FKTZTGRPSA-N	247.107	-0.443	50	10	BBGE	
NNC(=O)C1(Cn2ccnn2)CCOCC1	2212443884	BFRPFQDXWNGFLK-UHFFFAOYSA-N	225.252	-0.935	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CCC2(CCO2)CC1	2214617262	CMWIAMDTZCMIGG-UHFFFAOYSA-N	241.291	-0.464	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@@H]1CC[C@H]1C(=O)NN	2215777376	SHRATZAJGFXNOV-XHNCKOQMSA-N	241.291	-0.750	50	10	BBGE	
CNCC(C)(C)COc1ncccc1B(O)O	2217172110	IGBUDTFWMZLGAC-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC=CC[C@H]32)c1	2217175448	JAONJSNMRUXMSG-MWLCHTKSSA-N	230.076	-0.084	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN(C)C2)cc1B(O)O	2217180916	LSNHOQXJHKYJPS-SECBINFHSA-N	235.096	-0.814	50	10	BBGE	
Cc1cnc(N[C@@H]2C=CCNC2)cc1B(O)O	2217183077	IYAAVTNWOOHMGF-SECBINFHSA-N	233.080	-0.990	50	10	BBGE	
C[C@@H](N)CCCCOc1ncc(B(O)O)cn1	2217190631	FSQQWGRUOBHAFD-MRVPVSSYSA-N	239.084	-0.947	50	10	BBGE	
CCNC(C)(C)COc1ccc(B(O)O)cn1	2217192561	ONEHLDPLCGNEJU-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
COC[C@@H](Oc1cc(B(O)O)ccn1)C(C)C	2217196771	UPELPJJEXLVSMG-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1CC=CC1	2217197351	LNMVBUOZTXHSGH-QMMMGPOBSA-N	233.080	-0.077	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@H]2CC23CC3)c1	2217200799	LZGUTRYQTGGQRU-VIFPVBQESA-N	232.092	-0.215	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC[C@@H](F)C2)[nH]c1	2217204068	DVOVEVDGKRSFFS-WCBMZHEXSA-N	238.071	-0.267	50	10	BBGE	
C[C@H]1COCC[C@H]1Nc1ncccc1B(O)O	2217205467	ZHLGLDKKNCTRCG-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(N[C@H](C)c2cn[nH]c2)cc1B(O)O	2223641401	TXWNJIVUSJXGSH-MRVPVSSYSA-N	246.079	-0.034	50	10	BBGE	
C=CCC1(Nc2cc(B(O)O)c(C)cn2)CNC1	2223641908	DXTYNMAGTVGIEO-UHFFFAOYSA-N	247.107	-0.600	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CCO[C@H]3C2)cc1B(O)O	2223650709	PYSIITZKNDRABG-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
C[C@@](N)(CNc1ncccc1B(O)O)C1CCC1	2223678799	HZNSVFYHNLJINN-GFCCVEGCSA-N	249.123	-0.309	50	10	BBGE	
COC(=O)c1cc(B(O)O)c(C)s1	2241493333	LYEFMJOUYFSAQA-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
CC(C)[S@](=O)NCCC#CB(O)O	2241901878	FXVOPQWDLWHUOL-ZDUSSCGKSA-N	203.072	-0.946	50	10	BBGE	
C[C@@H](C[C@H](C)C(F)F)NC(=O)C#CB(O)O	2243361853	IGRLUEYLSKRFMX-BQBZGAKWSA-N	233.023	-0.202	50	10	BBGE	
Cc1nn(C)cc1NC(=O)C1(B(O)O)CC1	2243363909	OEXOYPYGYOKXGB-UHFFFAOYSA-N	223.041	-0.326	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)C1(B(O)O)CC1	2243364172	SFNJVPGBMIASDG-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
COC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243392466	UKWQUJLQWNLZIM-BGSMBAJZSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1occc1B(O)O	2243411006	MAPYXAYQAJWSIG-HTRCEHHLSA-N	223.037	-0.560	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243420023	KZJOUOSNXCFDOI-QXFUBDJGSA-N	228.101	-0.565	50	10	BBGE	
CC=C1CN(C(=O)c2cocc2B(O)O)C1	2244212607	SEDLVEUXYADQQW-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H](F)C1	2244221150	KSUCLMSXFDWTPX-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)co1	2244221861	PGLGBZLPGQDDDH-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C1)C2(C)O)C(=O)NN	2244343050	CFIWOJVCAIIJJG-CAWYRIKXSA-N	227.308	-0.685	50	10	BBGE	
CCNCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	2245486069	JESVBXBSQGQUMN-IUCAKERBSA-N	247.364	-0.133	50	10	BBGE	
CC(C)N(O)C(=O)c1ncc(B(O)O)cc1F	2247750209	GETQMHZOAOPHIA-UHFFFAOYSA-N	242.015	-0.860	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC(F)C1	2247752412	OTOXIUCDZQBOMO-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@H]2F)c1	2247752813	WFNNIIZDJVLHHK-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1occc1B(O)O	2247753414	GUAAFGGMGKGTNH-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
Cc1nc(C)c(CNC(=O)C2(B(O)O)CC2)[nH]1	2247755803	QVYIEYSNCFISJK-UHFFFAOYSA-N	237.068	-0.350	50	10	BBGE	
CCNCCN(CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798628	VXXWXJIDXFCCOR-MGCOHNPYSA-N	242.128	-0.303	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2247799813	IMSQTJMPDXVAMG-RGOKHQFPSA-N	241.096	-0.341	50	10	BBGE	
CC[C@H](C)N1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247803333	AOBVCACPHLZJMS-UJNFCWOMSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC1(C2CNC2)CC1)C1CC(B(O)O)C1	2247804520	HDAHLSOMQFCZOA-UHFFFAOYSA-N	238.096	-0.892	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cnn(C)c1	2247806542	FWHOAWFAPCCVOH-NBEYISGCSA-N	237.068	-0.540	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)C(=O)[C@@H]1C[C@H]1B(O)O	2247806647	ODTVOSWIXWROGM-CDLYGTGVSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247808018	JREOXXDRZUXZBI-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CN(CC1CCNCC1)C(=O)[C@H]1C[C@H]1B(O)O	2247810464	XOSMHMPBINMUGE-VHSXEESVSA-N	240.112	-0.693	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC2(CC2)C1	2247850415	OFODZOANYLBYFT-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)cn1CC	2247867459	FTFRTKYPWMRBLX-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(F)cc1B(O)O	2247876422	PALJXMFSUCVHRJ-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
Cn1cc(NC(=O)C2(B(O)O)CC2)ccc1=O	2247878434	JTCYHGQVBNYRDC-UHFFFAOYSA-N	236.036	-0.669	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cn(C)nc1B(O)O	2247885192	HASZOAKRSKEZFV-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](C2(O)CC2)C1	2247898944	IVCMYVBIDFZHIU-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](F)[C@@H](CO)C1	2247908975	CNCXUQHYGDZECR-VBSAPZBBSA-N	245.059	-0.972	50	10	BBGE	
CCC(F)(F)C(=O)Nc1ccc(B(O)O)cn1	2248415619	DHUVSZMARQHIOI-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248576638	IGYCBKGTMKWFCL-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@H]2C=CCOC2)O1	2249279266	QXWMXCHFAONEAR-GUBZILKMSA-N	242.275	-0.505	50	10	BBGE	
OB(O)C1CCN(CCCc2ncno2)CC1	2249345018	FOJCYPMZEOIIBQ-UHFFFAOYSA-N	239.084	-0.059	50	10	BBGE	
COCCN(C[C@@H](C)O)CC1(C(=O)NN)CC1	2250545675	MKYVYCSHEXOGDY-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250695177	IADKSYNJAWTGDV-IEZMZVKSSA-N	238.096	-0.953	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccoc1B(O)O	2255461080	BZVLZGOCXIIVSI-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255464597	YNTOOZQHDOGMEQ-VIFPVBQESA-N	248.091	-0.267	50	10	BBGE	
Cc1ccc2n1CCN(C(=O)C#CB(O)O)[C@@H]2C	2255469510	PZYGMUALUADNRW-SNVBAGLBSA-N	246.075	-0.285	50	10	BBGE	
N=c1ccc(CNC(=O)C2(B(O)O)CCC2)c[nH]1	2255492283	JBQSHSTYKNROKG-UHFFFAOYSA-N	249.079	-0.493	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H](C)CC#N	2255514943	PZFVVCYBLKBZMQ-QMMMGPOBSA-N	246.075	-0.293	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255522535	LCUPJZWVEWGADP-MNOVXSKESA-N	248.091	-0.464	50	10	BBGE	
Cc1cccc(NC(=O)c2n[nH]cc2B(O)O)n1	2255546910	AZTYCKWMPFHWIR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(NCCc1cccnc1)C1CC(B(O)O)C1	2255567045	ASCQQTGYCOTICN-UHFFFAOYSA-N	248.091	-0.007	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1C	2255677833	LGFXAKFNJJVRQZ-NSHDSACASA-N	245.087	-0.184	50	10	BBGE	
C=CC1CC(NC(=O)c2ccc(B(O)O)cn2)C1	2255715908	LUIUIIVQYVKDKH-UHFFFAOYSA-N	246.075	-0.544	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@@H]2C[C@@H]2C1	2255722460	OSSGIWNBFUEQQT-PSASIEDQSA-N	246.075	-0.757	50	10	BBGE	
C#CC1(NC(=O)c2cccc(B(O)O)c2C)CC1	2258947090	BWIMSKOYWNEAEN-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
COc1nn(C)cc1Nc1ncccc1B(O)O	2259106454	YRSOWTRVDHKHPR-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
CN(C[C@H]1CCCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368748	VRYSDBSWYPOUTK-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCCOC2)[C@@H]1C[C@H]1B(O)O	2298376152	KQPVRURCOQVETE-REIXXSIJSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(=O)NC[C@@H]1C	2302050820	UQJHAYMJMOGUJW-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CN(C)CCCC(=O)N1CC[C@@](C)(B(O)O)C1	2303112549	SWTJEYNWVUHLDL-LLVKDONJSA-N	242.128	-0.206	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2C[C@@]2(O)C1)C(=O)NN	2303424104	NHFIAQVXZIWMHU-YUSALJHKSA-N	241.335	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(NC(=O)OC)C1	2306928455	GGIUQFDYGMEODN-MRVPVSSYSA-N	244.295	-0.815	50	10	BBGE	
Cc1nn(CC2=CCCOC2)c(C)c1B(O)O	2307920298	PGDHHIQANHUSBK-UHFFFAOYSA-N	236.080	-0.474	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3C[C@H]2C[C@H]3O)c1	2312614317	HVWYMHANYDLYDE-MPKXCIJOSA-N	248.091	-0.667	50	10	BBGE	
O=C(NNC(=O)C1CCNCC1)c1ccncc1	49836211	YFFVWTYFPXDCSW-UHFFFAOYSA-N	248.286	-0.158	50	10	BBGE	
C[C@H]1CSCCN1CCC(=O)NN	70222305	CHHLKNKCMOMUGO-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2cnnc2C1	81544477	DOCBMTKABVGMJN-QMMMGPOBSA-N	238.295	-0.748	50	10	BBGE	
CN1C[C@H](NC(=O)CCl)CCC1=O	82276890	RXHDGIVEXBITMH-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
COCCCN(CCOC)[C@@H](C)C(=O)NN	82470048	LGHKDGKTONXKBM-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCNCC1	82470531	DKQSUBIORLDMHE-VIFPVBQESA-N	214.313	-0.704	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1ccc(C(N)=O)n1	82877947	GNNUHLRVBHFVQC-LURJTMIESA-N	225.252	-0.687	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](C)CCC(=O)NN	110588408	KVLCLIOEEUREAV-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CC[C@@H](O)[C@H]2C1	125783504	LBTUYDURTQVMFE-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
CNC(=O)[C@H](CCl)N[C@H](C)C(=O)OC	210163566	PJHCZZUCGVKTKQ-RITPCOANSA-N	222.672	-0.509	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NC(=O)[C@H](C)N1	210608796	WJKZAPHSOKQRTG-UNPHKUQDSA-N	209.205	-0.607	50	10	BBGE	
CCCC[C@]1(N)CCN([C@@H](C)B(O)O)C1=O	210982454	OGCQNEGJCPFOIS-WPRPVWTQSA-N	228.101	-0.493	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N2CCCC2)C1	223087495	YIXOINMJGQQDJM-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
Cn1cc(CCOc2cncc(B(O)O)c2)cn1	230766925	IIAWRVAPWZXAGO-UHFFFAOYSA-N	247.063	-0.884	50	10	BBGE	
O=S(=O)(CCCl)NCCCO	232299014	SZPHTLYUKQZBIE-UHFFFAOYSA-N	201.675	-0.473	50	10	BBGE	
O=S(=O)(CCCl)NC1CC(O)C1	232300324	QTEMFUILGUHJKH-UHFFFAOYSA-N	213.686	-0.332	50	10	BBGE	
CO[C@@H]1CCN(CCCCC(=O)NN)C1	234825372	IRZSLAUHUMVADY-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
Cc1cc(OCc2cn(C)nn2)ccc1B(O)O	235871695	JNLMGNDFFYJYBP-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H]1C	251274338	FOFVBRBWPKTJCB-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CSCC(=O)NNC(=O)N1CCOCC1	299394868	SVDNAFHWYXXIQT-UHFFFAOYSA-N	233.293	-0.578	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(O)C1	300027962	DRDRRZPXVOPHCL-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)[C@@H](C)C1	300909649	OPEJOZIOVBYEKE-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@](O)(C(N)=O)C1	306616677	PBAITIQPKNJIEG-SVRRBLITSA-N	217.656	-0.961	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H](C)Cl)CC(=O)N1	307041897	LFVCFPOTLSJWAW-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
CCCS(=O)(=O)NNC(=O)C1CC1	308285199	BLGXUZVHHXAQIK-UHFFFAOYSA-N	206.267	-0.243	50	10	BBGE	
NC(=O)NN=Cc1cc(O)c(O)c(O)c1	308675007	OIPDHUDBWJASFR-UHFFFAOYSA-N	211.177	-0.194	50	10	BBGE	
COC(=O)COc1cc(C)cc(B(O)O)c1	309156950	SPPMEDSWVCGXPT-UHFFFAOYSA-N	224.021	-0.773	50	10	BBGE	
NNC(=O)c1cccc2nc(O)c(O)nc12	309246117	NTPIRWSLTKZLCG-UHFFFAOYSA-N	220.188	-0.356	50	10	BBGE	
OB(O)c1ccc(C2CCNCC2)nc1F	381503659	DJENJKCSJVHKNA-UHFFFAOYSA-N	224.044	-0.633	50	10	BBGE	
CCC1(C)CN([C@@H](COC)C(=O)NN)C1	381903571	PEJYHLBHYAKKII-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)c1ccc(CN2CC(O)C2)cc1	384137413	MNXDNWPOCZEWJQ-SECBINFHSA-N	249.314	-0.044	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CCC(=O)NN	385871053	JHGKDIHDQVUXPU-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](SC)C1	394742701	NUCBKHCHLVLOLY-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CC[C@@H](CO)N(C)Cc1nc(C(=O)NN)co1	395452605	UWKKGEPOELSRBI-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
O=C(O)c1ccc2c(B(O)O)csc2c1O	396377496	GFRDTLBWJZXPFA-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCOC1)C(=O)NN	398838713	LBPLZNYUWUCZMM-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398897348	BZKKMOXNBAXEHK-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)CCCCC(=O)NN	400001520	YOKPEOWDIWHSSU-JDNHERCYSA-N	249.380	-0.155	50	10	BBGE	
CO[C@@]1(CO)CCN(CCCCC(=O)NN)C1	402606945	NJGJSNHKLQVZDV-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
C[C@@]1(C(=O)Nc2ncc(B(O)O)s2)C[C@H]1F	405067739	WYQJEJHCYBIESN-SPGJFGJESA-N	244.056	-0.491	50	10	BBGE	
C=CC(=O)NCCC(=O)NNC(=O)C1CCC1	490601624	NRXOGVOMACZIQS-UHFFFAOYSA-N	239.275	-0.374	50	10	BBGE	
C[C@@H]1C(C#N)=C(N)O[C@@H]2CCS(=O)(=O)[C@@H]21	606654328	FITSQKVUOFOMJK-LPBLVHEISA-N	228.273	-0.098	50	10	BBGE	
O=C(O)[C@@]1(OCCCl)CCS(=O)(=O)C1	687693110	OLUQANASKABVSU-SSDOTTSWSA-N	242.680	-0.116	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1cn(C)nn1	690442996	WPKBWYYBEHQONQ-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1nnc(O)n1C	692239283	WWCOUZISQBDPDR-BYPYZUCNSA-N	218.644	-0.236	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCNC2)CC1	695562824	OUVWSJKOMCAGHM-VIFPVBQESA-N	223.276	-0.527	50	10	BBGE	
OB(O)c1cnn(CCOC2CCCC2)c1	701400107	VFWPNNZYQXCICN-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(F)nc1	705991059	MQRICCWCRWAEHO-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
C[C@H]([C@H]1CCCCO1)N(C)CC(=O)NN	706011195	SYDNTDNZERBGKC-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCOC(=O)N1Cc2ccc(B(O)O)cc2C1	707985365	PBVADBODHGPFIK-UHFFFAOYSA-N	235.048	-0.162	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CO	708470873	XNGSFVWGJYKIEJ-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
Cc1ccc(CCNC(=O)C(=O)NN)o1	709663165	ZAMPLNFRWFDQFE-UHFFFAOYSA-N	211.221	-0.763	50	10	BBGE	
CC[S@@](=O)N1CCc2c(B(O)O)cccc21	712216304	DTNJEKUUUUVAAH-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)CCCCl	717356602	QSHBSLIJXUMELC-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
OB(O)c1ccc(OCC[C@H]2CO2)cc1	718544962	UOLVBCVICXDUIL-JTQLQIEISA-N	208.022	-0.466	50	10	BBGE	
Cc1nn(C[C@@H]2CC23CC3)c(C)c1B(O)O	722833392	ITUFJFAOSRDJBS-VIFPVBQESA-N	220.081	-0.020	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@H](CO)C1	725674151	YCGPSXFTKLQSRH-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
CC(CCO)=NNC(=O)[C@H]1COCCO1	749861212	JEMOPVGPMCMOIB-MRVPVSSYSA-N	216.237	-0.724	50	10	BBGE	
COCCN(C)NC(=O)c1ncccc1N	868242116	ZAXHZGOZNNSCMT-UHFFFAOYSA-N	224.264	-0.113	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1C[C@H](C)CO1	895512223	JIKKXKKTMRYZOL-WDSKDSINSA-N	202.210	-0.201	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)CN(C)C)C1	896129304	ROZOSWXIJLPWMZ-HTQZYQBOSA-N	229.280	-0.880	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	897837774	LUPIYQWJGRLWLM-YIZRAAEISA-N	242.275	-0.262	50	10	BBGE	
COCCN(C)NC(=O)C12CCN(CC1)C2	908114509	HHYOYIXQHHYMOS-UHFFFAOYSA-N	227.308	-0.308	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC1=NCC(=O)N1C	912501027	YPCPYAJBKVVBHQ-SREVYHEPSA-N	236.231	-0.625	50	10	BBGE	
COc1c(C(=O)NNC(=O)C(C)C)cnn1C	1135555219	QHGMCFQRPJJEOV-UHFFFAOYSA-N	240.263	-0.154	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1ncon1	1304245792	GLHDTIRMQSPCLL-NSCUHMNNSA-N	226.192	-0.967	50	10	BBGE	
CNC(=O)NNC(=O)CC1CSC1	1329699418	BRXWIOFWUNUNQC-UHFFFAOYSA-N	203.267	-0.300	50	10	BBGE	
NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12	1332450186	CXOOSEINYUKPPF-QHANHSIESA-N	204.229	-0.697	50	10	BBGE	
CN(NC(=O)Cc1ccnc(F)c1)C(N)=O	1446344689	ZCFDXGURAOHZJQ-UHFFFAOYSA-N	226.211	-0.195	50	10	BBGE	
O=C(CBr)N1C[C@H](O)C[C@@H](O)C1	1880976439	ZQCKKLKDCGPIFQ-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1Br)C(N)=O	1881366206	PMYJSFBMNNWGAV-VAYJURFESA-N	235.081	-0.240	50	10	BBGE	
CC1(C)[C@H](O)CN1S(=O)(=O)CCl	1881531067	YQAQEQPCOFDMSC-RXMQYKEDSA-N	213.686	-0.032	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)F	1882789956	RQRHYVBPCFPVQX-CRCLSJGQSA-N	211.214	-0.523	50	10	BBGE	
CN(CCS(=O)(=O)N(C)C)C(=O)F	1882790007	SBINNRSPYIOULG-UHFFFAOYSA-N	212.246	-0.101	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CCNC1=O	1883495142	YCRAKOCVZQADCU-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
O=C1N[C@H]2CN(S(=O)(=O)CCl)C[C@@H]2O1	1884551287	PKQPPHVRYRVMNY-WHFBIAKZSA-N	240.668	-0.695	50	10	BBGE	
O=C1CO[C@@H]2CCN(CCCl)C[C@@H]2N1	1886617525	ZNLNWULIMATTMP-JGVFFNPUSA-N	218.684	-0.186	50	10	BBGE	
C#Cc1cc(B(O)O)cc(C(=O)OC)c1C	1887520756	ILSMXBOAKOOYLS-UHFFFAOYSA-N	218.017	-0.557	50	10	BBGE	
CC[C@H](O)CN1CC[C@](C)(B(O)O)C1	1891586364	SENYLLYCXJNISP-IUCAKERBSA-N	201.075	-0.304	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@@H]1C[C@@H](O)CN1	1893127259	GTDXZGKDQKHULZ-OSMVPFSASA-N	218.684	-0.547	50	10	BBGE	
O=C(NC1(C(=O)O)CNC1)[C@@H]1C[C@H]1Cl	1893452795	IMMJQCXPQMRHMP-RFZPGFLSSA-N	218.640	-0.844	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@H]1CF	1900467448	SEZAMURUFOPJAX-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
O=Cc1ccc(N2CC=CC2)cc1B(O)O	1901255382	OKCVQCCARWNQJY-UHFFFAOYSA-N	217.033	-0.445	50	10	BBGE	
CC(C)=C(CN1CCC[S@@](=O)CC1)B(O)O	1901719048	ASYHMDBYMCVPER-MRXNPFEDSA-N	245.153	-0.211	50	10	BBGE	
CCC#CC(=O)Nc1ncccc1B(O)O	1902388700	QJTAKBPYENBNBR-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
O=S(=O)(C1CCCC1)N1CC[C@@H](B(O)O)C1	1902511796	JULNTDAIRZMQQV-MRVPVSSYSA-N	247.125	-0.193	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1CSCCO1	1902521793	KGBZJPPLSZMGMY-HRDYMLBCSA-N	246.332	-0.239	50	10	BBGE	
CC1CN(C(=O)N2CC[C@](C)(B(O)O)C2)C1	1902541239	MXJWXGZZHOFXJQ-JTQLQIEISA-N	226.085	-0.003	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCOC2)ncc1F	1903010896	UTFRTZXWGFXUOQ-LURJTMIESA-N	226.016	-0.899	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CCCC(=O)NN)[C@@H]1C	1903284485	RPQUCDIYHPNBFU-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2COC[C@@H]2O1)C(=O)NN	1904649305	RYTWKTYBLYEWFG-VGMNWLOBSA-N	229.280	-0.305	50	10	BBGE	
C[C@H](Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NN	1912214061	DHLLUAXENXSUMM-ZCFIWIBFSA-N	240.219	-0.618	50	10	BBGE	
Cc1ccc(CN(C)C2COC2)cc1B(O)O	1915673489	YHKRWLJSWVDRDT-UHFFFAOYSA-N	235.092	-0.495	50	10	BBGE	
O=C(C[C@@H]1CCCOCC1)NCB(O)O	1928158167	APINTSRLVPDVQC-MRVPVSSYSA-N	215.058	-0.679	50	10	BBGE	
C#CCN(CCCl)C(=O)Cn1ccnn1	1933495133	UJZDGJGTZYINII-UHFFFAOYSA-N	226.667	-0.021	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2CCC[C@@H]2C1	1934804253	VOSMNCIRIWREHR-RNLVFQAGSA-N	211.265	-0.329	50	10	BBGE	
CC(=O)N(C)Cc1ccc(B(O)O)s1	1935213619	FQMCHSYPKQLBIF-UHFFFAOYSA-N	213.067	-0.594	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(n2ccnc2)C1	1941087099	VJAGWFXDXLFSEE-WPRPVWTQSA-N	235.291	-0.634	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CC1(F)F	1942460073	YFUPFUNVWWGXPC-MRVPVSSYSA-N	241.002	-0.040	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)C2(CC2)C1	1944604878	YQYPBBARQBKQJQ-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]12C[C@H]1C(=O)N(CC1(C(=O)NN)CC1)C2=O	1946990845	NEQSCCQZMGYYTG-QUBYGPBYSA-N	237.259	-0.849	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1OCCOCC(=O)NN	1947168425	IBKONSRRNLGSHX-ZJUUUORDSA-N	246.307	-0.175	50	10	BBGE	
COCCN1CCCN([C@H](C)C(=O)NN)CC1	1949128728	KVNODTGZACROFM-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
Cn1cccc(OCC(F)(F)C(=O)NN)c1=O	1950721821	JCUPBXUSULUVPX-UHFFFAOYSA-N	247.201	-0.611	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@H](O)CCl	1956256720	SODASMUGIQBIQW-MRVPVSSYSA-N	222.716	-0.004	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@H]2C[C@H]2C1	1957503724	HJNJHQFPUHKPRM-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@H]1C2(F)F	1958102083	GQUNOTIKSQTWMM-VPENINKCSA-N	219.191	-0.864	50	10	BBGE	
Cc1cc(C)nc(CCNC(=O)NN)n1	1959594590	AWDLZOMIGZGRCX-UHFFFAOYSA-N	209.253	-0.191	50	10	BBGE	
O=C(O)CC(F)(F)CC(=O)NNCCO	1960274093	MSOIREUQLIBWNB-UHFFFAOYSA-N	226.179	-0.900	50	10	BBGE	
C#CC1CC(NC(=O)c2cccc(B(O)O)c2)C1	1962738344	KIPLTOGIBRIJAP-UHFFFAOYSA-N	243.071	-0.492	50	10	BBGE	
O=c1c(B(O)O)cccn1CCC1CC1	1975101037	MJRLSHWPXYSCCR-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1nsc(C(=O)NN)n1	1975982993	RGXXYYMOHKPIFF-SCSAIBSYSA-N	241.276	-0.738	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CCC[C@@H]21	1981422907	VRLMPBSLIZKLKL-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
Cc1nc(O[C@H]2CCOC2)ccc1B(O)O	1981424422	SUFSSDATFPINJE-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
COC[C@H](C)N(C)c1ncccc1B(O)O	1981424542	VDAOPCLGDQNFNV-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CCC12CCC2	1982212787	XJZFQDWUJJSHCH-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CC[C@H](COC[C@H]1C[C@H]1C(=O)NN)N(C)C	1983909136	ZGBJADNJMPFVTO-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986730844	WJBXEHRISJSSKF-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](CN)SC[C@H]1CCC[C@@H](C(=O)NN)O1	1990164569	PDABBFSZNFTRAO-YIZRAAEISA-N	247.364	-0.006	50	10	BBGE	
NCC1(NC(=O)C=CC(=O)Cl)CCOCC1	1991652933	SYMSJIAUVYSSKS-UHFFFAOYSA-N	246.694	-0.068	50	10	BBGE	
O=C(N=c1cc2n([nH]1)CCNC2)[C@@H]1C[C@@H]1Cl	1991683738	WHPFWTSWPJTSFX-SFYZADRCSA-N	240.694	-0.026	50	10	BBGE	
O=C1CN[C@H](C(=O)NCC2CC(Cl)C2)CN1	1991710828	HZUCQLPJWUHHQI-RRQHEKLDSA-N	245.710	-0.792	50	10	BBGE	
Cc1ccnc(C(=O)NCC#CB(O)O)c1	1992154440	YLHDZOXIXQYGML-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)CCCCO1	1992635169	FYNTWFWAVKIKRW-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
O=C(NNCCO)[C@H](O)Cc1ccccc1	1994649020	YULVWCMGFOXWOS-SNVBAGLBSA-N	224.260	-0.797	50	10	BBGE	
CCCN(Cc1c(C(=O)NN)cnn1C)OC	2003506203	PVTVIFXPEFRFIL-UHFFFAOYSA-N	241.295	-0.203	50	10	BBGE	
CCCN(CCOC)c1ccc(B(O)O)cn1	2004917393	WCTIAEBHVWQYNU-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3CC[C@H]32)nc1	2004919286	XAYXUNQFZIDQJA-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2OCC[C@@H]2F)c1	2009181763	LOPBTQRXSRETPG-UWVGGRQHSA-N	241.027	-0.733	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	2010834687	GFGIHPOFTYHXKT-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2)C(=O)NN	2016210122	YDAMXUIFTLPLMJ-KBDSZGMXSA-N	245.298	-0.452	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)CC(=O)NNC(C)=O)C1	2019175338	AVKKWXGBBIENQX-VHSXEESVSA-N	243.307	-0.347	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(O)c(O)c1	2020055905	GFZNNQRDZZLSKU-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CCC[C@@](CO)(C2)C1	2022184599	MLNOQSFDJQPIGZ-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
Cc1nc(-n2nc(C)c(C)c2C)ncc1B(O)O	2052597983	MRFSLXOGGXMMBJ-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)ccc1B(O)O	2052623718	ALJJNCKUCGXUPF-SVDPJWKOSA-N	244.103	-0.086	50	10	BBGE	
C[C@H](CC(=O)Nc1ncc(B(O)O)cn1)C1CC1	2057358924	WFGVBFXWYJARMW-SSDOTTSWSA-N	249.079	-0.469	50	10	BBGE	
CCc1ccc(B(O)O)c(OC)c1C=O	2060164425	HHXNLYZOHQHSCF-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1cc(C=O)cc(B(O)O)c1C#N	2060176274	FZORNALRQUIJNJ-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)c(OC)c1	2060204141	SYLIADCMGPPPNW-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1nc(N2C[C@H]3COCC[C@H]32)ccc1B(O)O	2073043736	RAGOVPKATBNASC-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)N[C@@H]2CCC=C2B(O)O)C1	2076081317	HRFIELAJMUFVAR-WCBMZHEXSA-N	249.079	-0.358	50	10	BBGE	
O=C(CN1[C@H]2COC[C@H]1C2)NNc1ccccn1	2078001967	UPMJUVCSLBHNNT-NXEZZACHSA-N	248.286	-0.002	50	10	BBGE	
OB(O)c1cnccc1N1Cc2cncnc2C1	2085311013	OOIBDHRDABXXIK-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2212096512	BLFYRLNZXRFXRG-RGOKHQFPSA-N	227.308	-0.257	50	10	BBGE	
N=c1nc(SCC2(C(=O)NN)CCC2)[nH][nH]1	2212261950	KICRLQZBJSHKLO-UHFFFAOYSA-N	242.308	-0.530	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CO1	2212600851	GGWYBFNKXMWRIW-VXNVDRBHSA-N	222.053	-0.649	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1ncccc1B(O)O	2212604875	SZBIDVBMAPGZOH-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
O=C(NCB(O)O)[C@H]1OCC[C@H]1C(F)(F)F	2212646067	ZWIAVUSVFICRTQ-UHNVWZDZSA-N	240.974	-0.918	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Nc1ncccc1B(O)O	2217177708	MKCIWCUFFNIIOT-UWVGGRQHSA-N	235.096	-0.557	50	10	BBGE	
CC[C@H](CN=c1ccc(B(O)O)c[nH]1)COC	2217180734	VOZAYEFWDMQCCP-SECBINFHSA-N	238.096	-0.732	50	10	BBGE	
C#CC1(CNc2cc(B(O)O)c(C)cn2)CC1	2217182506	DFSIUZZZNVOVCA-UHFFFAOYSA-N	230.076	-0.105	50	10	BBGE	
CC(C)[C@@](C)(CN)Oc1ncccc1B(O)O	2217182845	CZKLRPTYQPVAAJ-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
CC(C)NC[C@H](C)Oc1ncccc1B(O)O	2217184448	OZQHBOKBDDEZNI-VIFPVBQESA-N	238.096	-0.473	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@@H]2C[C@H]2N)cc1B(O)O	2217193269	LSSFMTQIMBLPSX-KHQFGBGNSA-N	236.080	-0.816	50	10	BBGE	
C[C@H](CC(C)(C)O)Nc1ncc(B(O)O)cn1	2217199683	OFFRMDJTNQODIP-SSDOTTSWSA-N	239.084	-0.882	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1(CCO)CC1	2220068512	XGGGRAMADPRENV-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc2[nH]ncc12	2220472340	XQZYOFYAPRIBGA-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@H]2CNC[C@H]1C2	2223644816	OBPMETPNQKFRQE-NGZCFLSTSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2223649004	SFYGVFWIBMSJML-SBMIAAHKSA-N	248.091	-0.483	50	10	BBGE	
Cc1cnc(N2C[C@H](C)NC[C@H]2C)cc1B(O)O	2223649023	SMRJBCNPVHRJRP-VHSXEESVSA-N	249.123	-0.744	50	10	BBGE	
Cc1c[nH]c(=NCCc2ccno2)cc1B(O)O	2223649461	YZFNDYBLICDQDC-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
Cc1cnc(N[C@@]23CCOC[C@@H]2C3)cc1B(O)O	2223651417	BZSILWRLFBXZSC-JOYOIKCWSA-N	248.091	-0.339	50	10	BBGE	
CCc1nocc1CNc1ncccc1B(O)O	2223653423	RJMPCUFVSUIATF-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(CF)C1	2241495371	JBILLITVXAPAPB-RQJHMYQMSA-N	201.006	-0.723	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2242759635	HHSMHYQHTSQIJP-UYXSQOIJSA-N	249.694	-0.399	50	10	BBGE	
C[C@H](CCC(F)(F)F)NC(=O)C#CB(O)O	2243362704	VGTWGOAWRKHHMA-ZCFIWIBFSA-N	236.986	-0.151	50	10	BBGE	
C=CCN(C)C(=O)c1ncccc1B(O)O	2243374482	FZLVRJSNWXOGEG-UHFFFAOYSA-N	220.037	-0.981	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H](CO)C1	2243391430	KMRLIODYFFQGNC-HRDYMLBCSA-N	227.069	-0.920	50	10	BBGE	
CC[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392966	YSIJXUKRYCWDKG-CSMHCCOUSA-N	225.053	-0.366	50	10	BBGE	
C[C@@]1(CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427109	QNHHUCHGQJAZSU-NRPADANISA-N	227.069	-0.777	50	10	BBGE	
O=C(C[C@H]1C=CCCC1)NCC#CB(O)O	2243664824	NYIMHEBPIGQMAD-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
Cc1ccnc(OC2(C)COC2)c1B(O)O	2245007680	FFGUVWASIHERLZ-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
COC[C@@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)C1	2247739995	DUDGHBAWWZUHGV-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)C#CB(O)O	2247740096	GBJJVRRYCABQKT-WSOSLHDDSA-N	233.076	-0.638	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(C(F)F)C1	2247747024	ICIXXNMQOREPJE-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)C3(B(O)O)CC3)C[C@H]21	2247759033	YFZAJWOYZLGSEH-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1n[nH]cc1B(O)O	2247782649	WJEUHEVOLNWMEN-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786774	GJGQUBXSFIEYBL-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCOCC1	2247805061	ARIZSLSUCKNDPN-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@@H]1C[C@@H]1B(O)O	2247809798	RKMJTIIISHWKRJ-KOINYGEUSA-N	235.092	-0.133	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C#CB(O)O)cc1	2247851496	ZFXDQSZUQGGMEX-UHFFFAOYSA-N	231.060	-0.031	50	10	BBGE	
CN(CCOCC1CC1)C(=O)C1(B(O)O)CC1	2247880281	YXCVYNNRBZMSMJ-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1N	2247886764	GCRPUAZTHSUROA-BZNPZCIMSA-N	240.112	-0.661	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247887988	UOBVHTGPLVKTRW-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247896127	XHTRKUQSSMAEJI-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C(=O)C1CC(B(O)O)C1	2247904240	OZRWUGWLXMTKLL-AFWXGSBKSA-N	241.096	-0.531	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CNC1	2247909743	LDPWPMAYYSENDD-DTORHVGOSA-N	240.112	-0.645	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248573517	FXABQQZTFGWYDL-BIIVOSGPSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2248586021	UNSVBLCSWRTXLY-BWZBUEFSSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](C(=O)O)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248587458	PSUOLJOLSOUEFC-GEVIPFJHSA-N	241.052	-0.972	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](C)CC(=O)O	2248589597	RULFDNGDJVGHSU-XLPZGREQSA-N	243.068	-0.439	50	10	BBGE	
COC[C@]1(C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248711391	OGFJDKBYDVSUFZ-CDLYGTGVSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCN1	2249945592	QCZYLTYRJVAAMG-IMSYWVGJSA-N	240.112	-0.504	50	10	BBGE	
CC1(OC[C@H]2CCC[C@H](C(=O)NN)O2)COC1	2250802087	CEAAFQBNRSWGHZ-RKDXNWHRSA-N	244.291	-0.281	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ncccc1B(O)O	2255516609	NWYPDOHREMUDRS-OYNCUSHFSA-N	246.075	-0.710	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ncc(C)cc1B(O)O	2255556090	KNWMUFQVQWMSPM-SCZZXKLOSA-N	248.091	-0.402	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)C2(CCC2)C12CCC2	2255669436	OGCQIWHILFQEHM-UHFFFAOYSA-N	247.059	-0.536	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N(C1CC1)C1CC1	2255714507	RDQJMTYZMMIXBK-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1C[C@H]2C[C@@H]2C1	2255720853	RBYBBCLYAHMGFW-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1C	2255727142	KZUZFKARCZFJSA-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(B(O)O)co1	2258128473	QQKOZQKCMSXBMP-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1cocc1B(O)O	2258136398	LHKALVPGOXTDPC-GZMMTYOYSA-N	249.075	-0.122	50	10	BBGE	
Cc1nnccc1NC(=O)c1cc(B(O)O)co1	2258151400	OOVZEJDREPVKSB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1nc(OCC23CC(CO2)C3)ccc1B(O)O	2260642978	ZURNOPFWXGNYIF-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2298166119	UUYDZHIXMOIPBG-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371322	HSERVLJOYFCQQO-ZOZBQHSOSA-N	241.096	-0.533	50	10	BBGE	
CCC[C@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371673	ROALFOVKASTVRV-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2300391670	XFFXDXQALNKUED-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCN2CC[C@H]1C2	2302020226	MQNXNEQWWRBBJD-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CN(C)CCCOc1cc(B(O)O)c(F)cn1	2303850322	RNBGUPRIOMKOBY-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
C#C[C@H]1CCCN(c2cc(B(O)O)c(F)cn2)C1	2320795632	WSLRBWSIESNSSI-VIFPVBQESA-N	248.066	-0.250	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)C1	82468717	ZPQMUYLOWHALDU-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
COC(=O)CS[C@H](C)CC(=O)NN	82472462	GPRUEHXQEYXWBK-RXMQYKEDSA-N	206.267	-0.339	50	10	BBGE	
CC(C)n1c(SCC(=O)NN)n[nH]c1=O	82472667	RLGCOXLDMDSPIT-UHFFFAOYSA-N	231.281	-0.766	50	10	BBGE	
C[C@H](Sc1nccc(=O)[nH]1)[C@@H](C)C(=O)NN	86313945	ZKDGJPAVFDHOSX-RITPCOANSA-N	242.304	-0.124	50	10	BBGE	
O=C(CCl)NCCCc1nnn[nH]1	95118470	ZZEOZXDHOLTNTQ-UHFFFAOYSA-N	203.633	-0.513	50	10	BBGE	
C/C(CC(=O)C(F)(F)F)=N/NC(=O)C(N)=O	105255452	BINUKHXTXFBXLD-BASWHVEKSA-N	239.153	-0.515	50	10	BBGE	
NNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1	121224401	REPUUBQJBXTCPL-JTQLQIEISA-N	249.270	-0.596	50	10	BBGE	
O=C(COCC1CC1)NNC(=O)[C@H]1CCCO1	122755457	BDMCLWDMJHLQNB-SECBINFHSA-N	242.275	-0.261	50	10	BBGE	
C[C@H](CO)N(C)Cc1csc(C(=O)NN)n1	125431400	RYXFUOBSYLUHNK-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
CN(CCCC(=O)NN)C(C)(C)CO	134190453	GBEKIELNGFNMTF-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COC[C@]1(C)C(=O)O	149055850	DEXVYOXFMYHSLT-MUWHJKNJSA-N	231.252	-0.748	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@](C)(O)C1	157538991	DKTUMTZATFORKJ-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CN1C[C@H](C(N)=O)CC[C@@H]1C)C(=O)NN	216320117	QAXZIXQSUVATQV-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
CC[C@H]1CN([C@H](CC)C(=O)NN)CCN1C	216743977	QMVSRVNIBDTXFF-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[Si](C)(C)OC(=O)[C@@H](N)CCC(N)=O	238530458	BAEWYISTOQDRSG-LURJTMIESA-N	218.329	-0.043	50	10	BBGE	
C[C@H]1CN2CCCC[C@H]2CN1CC(=O)NN	251844175	QTWPKBAGIYGKGQ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@](C)(O)C1	253083933	YHYXDAUEADLJQK-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
CN1CCC[C@H]([C@@H](N)CC(=O)NN(C)C)C1	259033637	JXXPSFXRFRYWML-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CNC(=O)NNC(=O)C#CBr	307531829	YCKLOBCKGBEMGC-UHFFFAOYSA-N	220.026	-0.698	50	10	BBGE	
NC(=O)[C@]1(O)CCN(CCCCCl)C1	308450075	AZCBNWGZXSUHGG-VIFPVBQESA-N	220.700	-0.073	50	10	BBGE	
COc1coc(C=NNC(N)=O)cc1=O	308690046	WOHUIXBVAHOSPK-UHFFFAOYSA-N	211.177	-0.349	50	10	BBGE	
Cc1cn(Cc2cc(C(=O)NN)no2)ccc1=O	311242903	YABBUCQYJSGCAQ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCNC(=S)NNC(=O)CNC(C)(C)C	380306761	FTXVOQDDOATUBL-UHFFFAOYSA-N	232.353	-0.110	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSC[C@@H](C)C1	380335637	GFLAMRSQTJXLNQ-IUCAKERBSA-N	247.364	-0.324	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)cc1OC	380516159	SOUWAJGZOVUGQY-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@](C)(CN)C1	380809225	JHWRNFHDYBBNPQ-FXPVBKGRSA-N	228.340	-0.328	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H](O)C2)n1	386908883	BWQQJDIABCYQPA-ZETCQYMHSA-N	240.263	-0.765	50	10	BBGE	
OC[C@H]1CSCCN1C[C@H](O)CCl	388003086	GJERZJBNUPUUOT-JGVFFNPUSA-N	225.741	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1CCO	388728512	YKGMUDPPXYVBQO-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CCC(=O)c1ccc(CO)cc1B(O)O	396044929	ZXOGJLARGJFHAR-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
Nc1cc(B(O)O)cc2c(C(=O)O)csc12	396241197	HYSMKTCIDFDGLN-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
COC1(CO)CCN(C[C@@H](C)C(=O)NN)CC1	402733251	SHMILZWXFWZUHN-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)Nc2ccccc2B(O)O)O1	404958525	IHLMGVYBZVVHQY-KWQFWETISA-N	249.075	-0.128	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	404983188	LFKOIUNLPQQHBZ-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
CSc1cc(F)cc(B(O)O)c1O	575704715	BMEUJQDMNAMKGJ-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
O=C(CCCCCl)N[C@@H]1C(=O)OC[C@@H]1O	675079799	IREPUGYJNOUJRI-XPUUQOCRSA-N	235.667	-0.202	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@H](COC)C(=O)NN)C1	689050409	YXASZAMYBRRNGC-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CN(CCO)CCN(C)C[C@@H](O)CCl	691279511	LWLNKKFKKDXFDG-VIFPVBQESA-N	224.732	-0.558	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	693308185	WFPYRGJNEDDSID-ZXFHETKHSA-N	219.191	-0.023	50	10	BBGE	
O=C(NCCCl)[C@@H]1CCCS1(=O)=O	694681922	ARAOIIAFCBPMKR-LURJTMIESA-N	225.697	-0.081	50	10	BBGE	
CCC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	698424466	GIBFQGYUOGFLPT-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN1CCO[C@H](CCF)C1)C(=O)NN	700559108	CARDEXMEFIWVPW-RKDXNWHRSA-N	233.287	-0.327	50	10	BBGE	
COCC(COC)N(C)C[C@@H](C)C(=O)NN	702037028	WNAKQEWPTWOMCW-MRVPVSSYSA-N	233.312	-0.794	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC(C)(C)[C@@H]1C	708260093	IHJBXJNDKCVXGC-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@](C)(CO)COC	708525858	HWJBCDYOJWTNBK-KOLCDFICSA-N	247.339	-0.526	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H](C3CC3)O2)n1	715475056	WZSHSQCVCDLZOM-VHSXEESVSA-N	236.080	-0.480	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)c1nnn(C)n1	717382684	CHPRPDOKOCPMBY-LURJTMIESA-N	246.702	-0.891	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H]2CO3)c1	718260924	XEPDCTWRNMUZAQ-RYUDHWBXSA-N	233.076	-0.661	50	10	BBGE	
CN(CC(=O)NN)[C@H]1C[C@H]2CCCN(C1)C2	718918186	NEZQGTQQUWHSRE-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
CNCCS(=O)(=O)NCC(Cl)Cl	722269464	OMMSDRZYLCMRQA-UHFFFAOYSA-N	235.136	-0.071	50	10	BBGE	
CC1=CS[C](C(=O)NCB(O)O)C1	725598480	MORMRRQOJBIIMX-UHFFFAOYSA-N	200.048	-0.313	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2ncccn2)co1	1129833732	DRBNZZNCIFPJGC-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@]1(O)CCOC1	1141753754	SBFFFLZRUNMOOK-JTQLQIEISA-N	230.264	-0.669	50	10	BBGE	
CN(CCF)Cc1cscc1B(O)O	1231953909	XVXNGNUGUQFCTF-UHFFFAOYSA-N	217.074	-0.171	50	10	BBGE	
CN(NC(=O)c1cnn(C)n1)c1ccccn1	1301027930	FPPFRNOKHHVMQU-UHFFFAOYSA-N	232.247	-0.009	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H](O)CCSC	1442416551	RFNXQOBBRQOANV-ZETCQYMHSA-N	249.336	-0.159	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)[C@@H]1CCCCO1	1628547787	LBJANIXHXYSGHB-YUMQZZPRSA-N	225.248	-0.137	50	10	BBGE	
N#CNS(=O)(=O)CI	1879940811	KHTQVJFSHDDPCW-UHFFFAOYSA-N	246.029	-0.221	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)C[C@H]1CO	1897664819	GHHLHOKWEIFNOD-PPYPBTKYSA-N	247.678	-0.348	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NCC=CB(O)O)O1	1897729139	UMTKCWYWAWSAEH-RKDXNWHRSA-N	227.069	-0.372	50	10	BBGE	
NNC(=O)CCCN1C[C@@]2(CO)CC[C@H]1C2	1900032355	DLGLQIVTAGEXIP-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]12C[C@H](N)[C@H]1C2	1901340660	IHSBAWRCXYBCBK-BKPPORCPSA-N	247.320	-0.964	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(CN)C[C@@H]1C	1901341307	SPRYAVNTWUFANZ-IONNQARKSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H]1CCC[C@H](C(=O)NN(C)S(C)(=O)=O)N1	1901375435	LTVIRLPFOKNICE-HTQZYQBOSA-N	249.336	-0.560	50	10	BBGE	
C[C@H](CCO)Nc1cc(B(O)O)c(F)cn1	1903010323	OMUWTHNJQHINJG-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
C[C@@]12CN(CCCCC(=O)NN)C[C@]1(CO)C2	1906339920	KFIJJGXUVAMKJB-NEPJUHHUSA-N	241.335	-0.149	50	10	BBGE	
COC1(C(F)(F)C(=O)NNC(N)=O)CCC1	1912521690	URHUEOBFTXNMNP-UHFFFAOYSA-N	237.206	-0.110	50	10	BBGE	
C[C@H](CN1CCOCC12CC2)C(=O)NN	1915588399	WZYJRDDZAPIZQX-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(F)(F)C1	1917244008	ZBMJGONPFLZKSY-RITPCOANSA-N	205.208	-0.437	50	10	BBGE	
O=S(=O)(N[C@@H]1COC[C@H]1Cl)C1COC1	1923212217	BQBODXZZMMQATD-RNFRBKRXSA-N	241.696	-0.689	50	10	BBGE	
OC[C@]12CN(CCCl)C[C@@]1(CO)C2	1928556365	HNAJLQNVTFYOAE-DTORHVGOSA-N	205.685	-0.098	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1CCC(=O)NN	1930115493	HBUVQKVKHLBQGC-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)CC1(C)C	1930667540	RQOLWAFNIPNIRN-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
C#CCN(CCCl)C(=O)Cn1cnnn1	1933494198	HRJIMXXQWDIURS-UHFFFAOYSA-N	227.655	-0.626	50	10	BBGE	
CCN(C)[C@H]1CCN([C@@H](C)CC(=O)NN)C1	1939072725	GIWRUCWBGNQNDE-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2CCOCC(=O)NN	1940009798	IPNMTUUWLUARAK-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](O)C1CCN(CCOCC(=O)NN)CC1	1941772895	PCHGWYGGTAUFNT-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
COCC[C@H]1CN(CCCC(=O)NN)CCO1	1943669418	GLZQEAAJPCUNPX-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
COC[C@H](OC[C@H]1CCCCCO1)C(=O)NN	1947249430	QYDDZNKZHDHQKW-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)CC(=O)NN)n(C)n1	1949603629	VUUKTBMQHYFVGM-SECBINFHSA-N	239.323	-0.071	50	10	BBGE	
CO[C@H]1CCC[C@@H](C(=O)NCB(O)O)C1	1951321815	IBBQJFTUCNWVNY-SFYZADRCSA-N	215.058	-0.680	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)[C@H]2C[C@@H]21	1953944566	RZUYPVQPVLEAON-BQBZGAKWSA-N	224.713	-0.099	50	10	BBGE	
C[C@@H](Cl)C(=O)C[C@@H]1CS(=O)(=O)CCN1	1955173729	YFYUECPCJMQJQB-RNFRBKRXSA-N	239.724	-0.041	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCB(O)O	1956212265	WICZMCPLFUJPSO-RFZPGFLSSA-N	206.985	-0.594	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1CC(=O)NN	1956750120	ADIQUNVIBNNLHU-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CCN1CCC[C@H](N(C)CC(=O)NN)C1	1958202009	YFQFUQZYQGTSFG-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
Cc1noc(CN(C)CCC(=O)NN)n1	1958691053	DJDIEGIBCROESI-UHFFFAOYSA-N	213.241	-0.810	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1961399202	LPICZJIZANBUQN-XKSSXDPKSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1csc(OC[C@@H]2CCCO2)n1	1961694032	IJAFCZBTNXYVLL-LURJTMIESA-N	229.066	-0.619	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1noc(C)n1	1976749802	RAVLINPOYAOTBM-SSDOTTSWSA-N	227.268	-0.422	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)c1cc(O)ncn1	1979154689	VPCBZHFUHUZHNE-CAHLUQPWSA-N	243.650	-0.082	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1COCCC1(F)F	1980166415	KKRTVSZLJSWHFE-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(O)(C(F)F)C1	1981254927	RNPOGHZGGIJYJB-NTSWFWBYSA-N	237.250	-0.687	50	10	BBGE	
CSCCCN(C)c1ccncc1B(O)O	1981425202	CZVOLTVIHZCISV-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
NNC(=O)c1ccc(CSC2CNC2)cn1	1984160805	UIWPUUQSLOLHEC-UHFFFAOYSA-N	238.316	-0.110	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1C1(O)CC1	1987341322	SFGVQKAETSAHTQ-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990040156	ZTHUGICCZFMSJJ-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCSC1	1990774040	CZNVVGGBDZAPBR-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
NCC(=O)NCc1cn(C[C@H]2C[C@H]2Cl)nn1	1991432115	ITJHWGJMBQOPIP-HTRCEHHLSA-N	243.698	-0.520	50	10	BBGE	
COC(=O)C1(N)CC(NC(=O)[C@@H]2C[C@H]2Cl)C1	1991681768	DAPLGCXLQNBLDJ-ZBFMHRLGSA-N	246.694	-0.237	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3Cl)[C@H]21	1991682173	HMBKVKMKNRHGLB-HEIBUPTGSA-N	245.662	-0.076	50	10	BBGE	
CC(C)(CN1CCC12CC(CO)C2)C(=O)NN	1997985391	CVOHIANLUKIBSS-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)CCC(=O)N(CCOCC(=O)NN)C1	2004129186	PWIICZYEOVSQGW-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1ncc(B(O)O)cn1	2004917384	BXNOAGBCDFAQLQ-LURJTMIESA-N	243.022	-0.610	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2006093503	GEHPMYVEFBXNHZ-SYHAXYEDSA-N	239.275	-0.952	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H]1CF	2011853878	GARUNZQDLJQNMJ-SSDOTTSWSA-N	241.270	-0.433	50	10	BBGE	
CN1CCN(C[C@H]2C[C@H]2C(=O)NN)CC12CC2	2014771342	GXVSTGAMEIIJME-NXEZZACHSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H]2COC[C@@H]21	2017524356	CLSKGALDEXJRPK-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
CO[C@H](CN(C)CC(=O)NNC(C)=O)C(C)C	2019177418	RJDRUWCPNZXBJY-SNVBAGLBSA-N	245.323	-0.244	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C1(F)CC1	2025668999	HHTSSCODFDBVLK-UHFFFAOYSA-N	237.039	-0.515	50	10	BBGE	
Cc1ccc(CN(C)CC2(C(=O)NN)CC2)nn1	2033705732	YMKUWTFRLIUAGQ-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
CC=C[C@@H](O)C(=O)NNC(=O)c1cnn(C)c1	2053284918	ZVYVCMLCDBMSOU-MRVPVSSYSA-N	238.247	-0.882	50	10	BBGE	
Cc1cc(B(O)O)c([N+](=O)[O-])cc1C=O	2060282685	QHWVOAYKGIJJOM-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(B(O)O)c1C#N	2060289908	JGXGPEDJEDNOEM-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@H]32)cn1	2066309798	OIGRBVKFLZLOID-MWLCHTKSSA-N	248.286	-0.484	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2210375881	ZGSZYEFEMVKETP-SDNRWEOFSA-N	227.308	-0.400	50	10	BBGE	
CC12CC(CN1Cc1nscc1B(O)O)C2	2211134836	DDSWLWPQVOJANK-UHFFFAOYSA-N	238.121	-0.193	50	10	BBGE	
CN(C)CCCSc1ncccc1B(O)O	2212600728	XTEFTHHLCMNRTR-UHFFFAOYSA-N	240.137	-0.195	50	10	BBGE	
CCOC[C@@H](C)Oc1cc(B(O)O)ccn1	2212609507	SNGGJAIQZZUOGK-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1ncccc1B(O)O	2212612055	HRTLVSYRHZAYAZ-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3CCC[C@H]32)c1	2212613663	YDULELNANAWBBO-DOFRTFSJSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccc(NCc2cnsn2)nc1	2212615416	OQHPHUPGXZWAMA-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CC2(C(=O)NN)CCC2)C1	2216495805	UEKFVGOCMIQDDP-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC[C@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2216530800	SYLBXGICYRUTCU-LBPRGKRZSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3CC[C@H]2C3)nc1	2217184250	NVLRHABWSSMBPL-OYNCUSHFSA-N	233.080	-0.243	50	10	BBGE	
CC(C)[C@@](C)(O)CNc1cc(B(O)O)ccn1	2217195519	LBTQFGYVCVKNRJ-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1c1ccc(B(O)O)cn1	2217197049	KCHSIXHHKGYKCY-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
Cn1cncc1CNc1ncccc1B(O)O	2217201652	ZHXRRPFHXDRMSJ-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)Nc1cc(B(O)O)ccn1	2217203572	XEPCNKXTZNFZCJ-KCJUWKMLSA-N	238.096	-0.421	50	10	BBGE	
NC1[C@H]2C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220071840	IZXYRRUJLSAVLP-QWRGUYRKSA-N	246.119	-0.855	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCCN2)cc1B(O)O	2223647496	AOUQAVIALDNERU-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(NC[C@H]2CCC[C@H]2N)cc1B(O)O	2223653049	NPPNENUJTNIXII-MWLCHTKSSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2NCC[C@@H]21	2223667248	QZZGMBVRSSLIIH-NGZCFLSTSA-N	247.107	-0.829	50	10	BBGE	
N[C@H]1CC[C@H](CN=c2ccc(B(O)O)c[nH]2)CC1	2223668749	AOHPISHZNDSUQA-HOMQSWHASA-N	249.123	-0.887	50	10	BBGE	
CCn1nccc1CNc1cc(B(O)O)ccn1	2223672246	SQSCKLGRGGRGOV-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)OCCO1	2241481052	QQFKDNYUVIHRJY-OCAPTIKFSA-N	243.068	-0.881	50	10	BBGE	
NC(=O)COCCN[C@H]1C[C@H](Cl)C1	2241663613	HMOKIXOMSTXYEA-LJGSYFOKSA-N	206.673	-0.152	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1COC(=O)C1	2242591832	PEMJAXALLTYURX-INIHDHCDSA-N	217.608	-0.260	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC(F)(F)C12CCC2	2243123008	PLZLROVZMGTSGG-RXMQYKEDSA-N	233.218	-0.330	50	10	BBGE	
CNCCCN(C)C(=O)C1(B(O)O)CCC1	2243346926	GABRUSIMAXBCOD-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CCC2)n[nH]1	2243349278	IXWPBIZYCWOPQY-UHFFFAOYSA-N	224.029	-0.551	50	10	BBGE	
Cn1ccc(CNC(=O)C2(B(O)O)CC2)c1	2243363862	NMENRKSUJMBKEF-UHFFFAOYSA-N	222.053	-0.352	50	10	BBGE	
C#CCN(CC(F)F)C(=O)C1(B(O)O)CC1	2243364213	SWMVUQHMJBDCTJ-UHFFFAOYSA-N	231.007	-0.280	50	10	BBGE	
CCN(C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381672	IGISQQXDRBDWIF-DTORHVGOSA-N	228.101	-0.693	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@]2(CCO2)C1	2243382016	KIPFJZXSWXFZDO-KHQFGBGNSA-N	225.053	-0.759	50	10	BBGE	
C[C@@H]1COCCN1C(=O)C1CC(B(O)O)C1	2243392692	WHHUWJFERXDHHJ-AFPNSQJFSA-N	227.069	-0.513	50	10	BBGE	
CC[C@H](CCO)CNC(=O)C1(B(O)O)CC1	2243411081	NKIUVYIDCZHTKI-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
O=C(N1CC[C@H]2C[C@H]1CO2)C1(B(O)O)CC1	2243411517	VESZFLGRLKOOJU-YUMQZZPRSA-N	225.053	-0.617	50	10	BBGE	
C#CCCNC(=O)c1cc(C)c(B(O)O)o1	2243413791	NKNRBLXWICLPEM-UHFFFAOYSA-N	221.021	-0.979	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N[C@H](C)CF	2243414516	CFZNVRQLSCNXLM-SCSAIBSYSA-N	246.072	-0.781	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427129	QWJXSFHKNQNBNW-FDDDBJFASA-N	227.069	-0.467	50	10	BBGE	
C#CCCC(=O)Nc1ccccc1B(O)O	2243665814	WCLPCDGPHHGZHP-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1coc(B(O)O)c1	2247723079	QECFEJSNEZCYQG-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783885	MKOUJWUTHWMHHF-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1C1CC1)[C@@H]1C[C@@H]1B(O)O	2247789768	BEBAIHSJKPTKRW-DOLQZWNJSA-N	239.080	-0.610	50	10	BBGE	
COC[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790534	HWWLZXFGBAYKTM-AXTSPUMRSA-N	241.096	-0.362	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCCOC1	2247798715	WNINTZRMTAIOTM-AMUVOQDHSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1cn[nH]c1	2247800783	STNKOEPDWKVWBY-PTNSZRNDSA-N	237.068	-0.160	50	10	BBGE	
C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247801002	VZGHQDXGTNVETF-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
CCCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1COC1	2247807665	RMCFDTARMNGHGL-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
O=C(NOCC1CCC1)c1ccc(B(O)O)o1	2247852650	XNNYRNMHVURQAF-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@H]2CCC[C@H]21	2247855412	RRCHJUOGMBCPTE-RGOKHQFPSA-N	239.080	-0.371	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ncccc1B(O)O	2247866777	RWNORYIYGVKMAZ-WRWORJQWSA-N	234.064	-0.710	50	10	BBGE	
O=C(Nc1cncnc1)c1ccsc1B(O)O	2247870169	FTHUWRQMOONIJZ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247887805	RVRYRTTUSFRXOH-HOTMZDKISA-N	238.096	-0.813	50	10	BBGE	
CCCOCC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887977	UJARWOJBSNUINQ-ZJUUUORDSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1CC12CCOCC2)[C@H]1C[C@@H]1B(O)O	2247897090	NUFGZRULOAANIO-XHNCKOQMSA-N	239.080	-0.465	50	10	BBGE	
CC1(C)CN[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900386	WJMMDFGZALYXQC-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cc1O	2247961093	BLKDIVNKKCRNBJ-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248574136	PADWWWQFXHDDRE-FXQIFTODSA-N	241.052	-0.615	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248586315	YZXQBVUJTMEVFK-FSDSQADBSA-N	243.068	-0.535	50	10	BBGE	
Cc1cc(O[C@H]2C=CCOC2)ncc1B(O)O	2249282300	USKBUSMNKFIHHK-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
O=C(NOC1CCCC1)c1cc(B(O)O)co1	2249416976	ZIXZTVRVHXCVQN-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
CC[C@@H]1C[C@@H](C(=O)O)[C@H](C(=O)NCB(O)O)C1	2251305359	ZFDJFWYUHPQQGW-XLPZGREQSA-N	243.068	-0.748	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1nc(C)ccc1B(O)O	2255477511	AMXPJTQAOMPNRK-MRVPVSSYSA-N	248.091	-0.378	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1occc1B(O)O	2255484117	IHSTVBVCFVLINK-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cc(F)ccc1B(O)O	2255502257	GEZCEQDIRBUHTN-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
C=C(C)CNC(=O)c1cc(OC)ccc1B(O)O	2255505343	VZSKQRMQWVCDKV-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(C)cc(B(O)O)c1	2255510395	WOGGZYCWYNKRIZ-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(C)ccc1B(O)O	2255513135	LVPRFRSYNUQIRX-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(NC[C@H]1C=CCCC1)c1cc(B(O)O)n[nH]1	2255547217	DDFANQAUIJFFAP-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
O=C(NCCCc1ccccn1)[C@H]1C[C@H]1B(O)O	2255565966	WTETWYBLVSOIFO-WDEREUQCSA-N	248.091	-0.007	50	10	BBGE	
CCC=CCNC(=O)c1ccc(B(O)O)cc1O	2255947720	PSSPBHLYHHDIHW-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)ccc2O)CC1	2256017643	HQSHRAKFZNHKLO-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369935	JJWZSRMMMDHCRL-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2NCC[C@@H]2C1	2298375510	MTCXIMDYIDFDFL-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
NNC(=O)CCCCCCN1CC(C(N)=O)C1	2300629464	GUAQQCXQQSEBGV-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
C[C@H](NC(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	2301654104	NNRQMIPQCMKYKO-FSPLSTOPSA-N	244.056	-0.990	50	10	BBGE	
COCCCOCCN1CC[C@](C)(B(O)O)C1	2303131833	CUODFASISLCCHW-NSHDSACASA-N	245.128	-0.022	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CC(CO)C[C@@H](C2)C1	2303133255	WARPHTKVUZBETA-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CCNC(=O)C2)C1	2303145115	UEHKBRUCXPSACB-KOLCDFICSA-N	240.112	-0.549	50	10	BBGE	
CC[C@H]1C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847869	PPPIDUSRUKCDCF-JGVFFNPUSA-N	238.071	-0.220	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)n1	2309538988	GRHYVMBLXBSNJC-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@@H]3C[C@H]2CO3)nc1	2312740467	WYWNFEUHABOFBJ-SFGNSQDASA-N	249.079	-0.864	50	10	BBGE	
N#CCCC1CN(c2nccc(B(O)O)c2F)C1	2315998624	YRJVNTBXDMVGME-UHFFFAOYSA-N	249.054	-0.360	50	10	BBGE	
C[C@@H](NC(=O)Nc1cc(B(O)O)ccn1)C1CC1	2317593436	ZDZZVZNCUPSMRX-SSDOTTSWSA-N	249.079	-0.319	50	10	BBGE	
C[C@@H](S)C(=O)NNC(=O)[C@@H](C)S	32156232	UNVNBMGSZYEBPK-QWWZWVQMSA-N	208.308	-0.230	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1cnn(CC(N)=O)c1	37005712	WDHSNPRCFMFYER-YFKPBYRVSA-N	230.655	-0.066	50	10	BBGE	
CCOC(=O)c1nc(C(=O)NN)oc1C	75851270	YUCAWSJMAXRNBB-UHFFFAOYSA-N	213.193	-0.237	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H]1CO	82470393	JBIKVNMHRZUZRU-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](N)CSCC(=O)NNC(C)=O	85349362	AYFZHMHUOZZWKU-SSDOTTSWSA-N	219.310	-0.376	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@H](O)C1	110580491	KCRDURWUHXIOJG-JTQLQIEISA-N	235.287	-0.143	50	10	BBGE	
CC[C@@H](COC)N1CC(=O)OC(=O)C1	112547032	YPONCBGIXDMNSE-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
COCCOCCOCCCC(=O)NN	125982785	HLMLBXOZNNPCIB-UHFFFAOYSA-N	220.269	-0.564	50	10	BBGE	
CN1CCN(C[C@H](Cl)C(=O)O)CC1	132727471	ZFPCCHIKRZWCGN-ZETCQYMHSA-N	206.673	-0.074	50	10	BBGE	
O=C(NCCCl)C(=O)Nc1ncccn1	170359612	KDXREMCQJHUBQS-UHFFFAOYSA-N	228.639	-0.230	50	10	BBGE	
CC(=O)Nc1noc2cc(B(O)O)ccc12	201713845	VRZCIVANSINLBC-UHFFFAOYSA-N	219.993	-0.534	50	10	BBGE	
O=C/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O	208370456	AZNZYQFJBBPJNK-ISJCIRRWSA-N	214.217	-0.426	50	10	BBGE	
OB(O)c1cc(F)cc(O[C@@H]2CCOC2)c1	211814171	OXZVBCFMTZFTOD-SECBINFHSA-N	226.012	-0.327	50	10	BBGE	
CC(C)(C)OCCOc1cncc(B(O)O)c1	226238426	RCQQLMXTUMAQHK-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CN(CCO)Cc1cc(C(=O)NN)ccc1F	231063033	KZFKSSWZESQNNE-UHFFFAOYSA-N	241.266	-0.147	50	10	BBGE	
CC(=O)c1sc([N+](=O)[O-])cc1B(O)O	238162749	HKKPVBSOUWETEY-UHFFFAOYSA-N	214.995	-0.461	50	10	BBGE	
COC(=O)C[C@@H]1C(=O)N2CCNC2=C1C=O	259833320	XVOVJNPTJLWDPR-LURJTMIESA-N	224.216	-0.978	50	10	BBGE	
CCN([C@H](C)CN(C)C)[C@H](C)C(=O)NN	300049534	SMOUWZHRVHKLSB-RKDXNWHRSA-N	216.329	-0.363	50	10	BBGE	
C[C@@H](CSCC(=O)N1CCCC1)C(=O)NN	300792735	DEPMECHQWIBAHF-QMMMGPOBSA-N	245.348	-0.032	50	10	BBGE	
O[C@H]1[C@@H](CF)O[C@@H](O)[C@H](O)[C@H]1Cl	306196932	RJDGZORNPYKEPA-FPRJBGLDSA-N	200.593	-0.998	50	10	BBGE	
NNc1cc(B(O)O)ccc1C(F)F	306899486	JRJMFDRNTQSITR-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
O=C(CCBr)NCCc1nnn[nH]1	308156256	UIGQHLDMLDSWNI-UHFFFAOYSA-N	248.084	-0.357	50	10	BBGE	
CSCCONC(=O)NNC(C)=O	308250886	BPDLDHRHJDLXHO-UHFFFAOYSA-N	207.255	-0.369	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)cc1C=O	308923168	ZQUVSPPHRKQIPI-UHFFFAOYSA-N	206.994	-0.863	50	10	BBGE	
O=C(CCl)NCCN=c1cccn[nH]1	379664106	UMVAUPFXUVKPDX-UHFFFAOYSA-N	214.656	-0.335	50	10	BBGE	
CNC(=O)CC1CN([C@H](C)[C@H](C)C(=O)NN)C1	382301923	XSOOLZCAEDKLPF-JGVFFNPUSA-N	242.323	-0.931	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384765439	OMPPENHSIASVRF-YTWAJWBKSA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ccncc1=O	384939006	BYUHGGSOZCNULK-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
O=C(O)C(=O)NNc1ccc(C2CC2)nn1	390338123	MFLSEHBKSOWIMO-UHFFFAOYSA-N	222.204	-0.118	50	10	BBGE	
CCOc1cc(B(O)O)ccc1CC(C)=O	396071126	APKJYFRMTWEADF-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
CC(=O)c1cccc2nc(B(O)O)oc12	396115197	QOHRXOKQRREGFU-UHFFFAOYSA-N	204.978	-0.290	50	10	BBGE	
CN(CC[S@@](C)=O)C[C@H](O)CCl	398849490	QDFFREMOYNGSNN-JMCQJSRRSA-N	213.730	-0.104	50	10	BBGE	
Cn1cc([C@H]2OCC[C@H]2C(=O)NN)cn1	399712030	AMGZTQSFJYLTGV-HTQZYQBOSA-N	210.237	-0.512	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)CC(C)(C)C	689945676	OWSREIULJSRQOS-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)NC1CC1	690152111	RHNBENWJLZVTFJ-UHFFFAOYSA-N	238.027	-0.211	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCSCC1	690638124	ZYNMMEILYJGSCE-SSDOTTSWSA-N	231.321	-0.374	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	691455175	VWYOVHOWZUVXFA-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(C#N)C1	693997482	KVYDYUKWFVFSSQ-SCZZXKLOSA-N	226.280	-0.773	50	10	BBGE	
Cc1nn(C[C@H]2CCCCO2)c(C)c1B(O)O	694271115	PATYBEJSSKAQIO-SNVBAGLBSA-N	238.096	-0.251	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H](C)CO	695076277	GPCVPNIUPVFVIP-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
Cc1nnc(CN(C)CCC(=O)NN)s1	697800132	SARXKWAKNLTXJI-UHFFFAOYSA-N	229.309	-0.342	50	10	BBGE	
CCCc1nc(C(=O)NNC(N)=O)n[nH]1	700864709	KIWNRZDLDPVXIJ-UHFFFAOYSA-N	212.213	-0.930	50	10	BBGE	
NC(=O)N[C@H]1CCCN(C(=O)CCl)C1	702140988	NIYKJPVDZDGIQZ-LURJTMIESA-N	219.672	-0.116	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1C[C@@H](O)C1	703806331	QKZHXJQZQBLOKM-DTORHVGOSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)CC(=O)NN	710947744	RMCCZOLKJQBGRD-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C=C(C#N)[C@](O)(C(=O)OCC)c1nc[nH]n1	725373898	FAQVQGDNFSWSRU-SECBINFHSA-N	222.204	-0.365	50	10	BBGE	
O=C(C[C@@H]1CCCO1)NNC(=O)c1cnn[nH]1	729457746	OROYZVDPVKDCPX-LURJTMIESA-N	239.235	-0.865	50	10	BBGE	
CO[C@@H](C)CCC(=O)NNC(=O)c1cnn[nH]1	782661569	PPRXUCSVCMRSLD-LURJTMIESA-N	241.251	-0.619	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@H](O)C1CCC1	854928206	YXVDQJFKHLMPBJ-SSDOTTSWSA-N	231.321	-0.385	50	10	BBGE	
COCCNC(=O)NNc1nnc(C)n1C	874977890	GRXWNZAUCKIZLZ-UHFFFAOYSA-N	228.256	-0.604	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)c1cn(C)nn1	888082184	JOHWOOWDHMUQLW-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1nnc(C2CC2)o1	911443868	AQPFIYFWFOQDBL-LURJTMIESA-N	240.263	-0.096	50	10	BBGE	
CCCN(C)C(=O)NNC(=O)c1cn(C)nn1	1261641209	ZMQPZGDLBDYXRI-UHFFFAOYSA-N	240.267	-0.489	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](C)CC(N)=O)n1C	1330108227	NMBYDKLLPPWVFX-YFKPBYRVSA-N	240.267	-0.922	50	10	BBGE	
Cn1nncc1NNC(=O)CC1(O)CCC1	1347988779	YAAOWIANLOWJJI-UHFFFAOYSA-N	225.252	-0.437	50	10	BBGE	
CCO[C@@H](C(=O)NNC(=O)NC)[C@@H]1CCOC1	1351758160	VIIFYCUZRXBNAN-HTQZYQBOSA-N	245.279	-0.612	50	10	BBGE	
CN(NC(=O)CCN1CC[C@@H](F)C1)C(N)=O	1630878331	OIMPIIYIJATQFW-SSDOTTSWSA-N	232.259	-0.538	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCN(C(=O)CCl)C1	1882231608	MMSHPPWMOIUYAD-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
O=C(CCCl)N1CCC[C@@H]1[C@@H](O)CO	1885363500	GMTKCKNCVCIAHS-SFYZADRCSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](COC[C@H]1CCN1C)C(=O)NN	1888715138	YCJRVHCMMDDZMA-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
NC(=O)NCc1sc(Cl)cc1B(O)O	1892556638	GQPRQWKFYSMMEQ-UHFFFAOYSA-N	234.473	-0.750	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@H]1C[C@@H](O)CN1	1893127256	GTDXZGKDQKHULZ-LXGUWJNJSA-N	218.684	-0.547	50	10	BBGE	
OB(O)c1csc(-n2cc(F)cn2)n1	1894901345	FEQBJSHZMSYDCN-UHFFFAOYSA-N	213.002	-0.852	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1895207636	IXCHJGVQFATPDR-ZEBDFXRSSA-N	223.276	-0.378	50	10	BBGE	
C=C(CC)CNC(=O)c1cnsc1B(O)O	1900452942	UTWMBCKPTIJACW-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@H]1C[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	1901243196	UDDYRIXJCUQCKP-CPCISQLKSA-N	220.033	-0.034	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1CCNC1	1901340039	XTMFTONYUWUADK-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
C=CCNCC(=O)NN(C)S(=O)(=O)C1CC1	1901348397	IMUWVWBRIDEZRT-UHFFFAOYSA-N	247.320	-0.783	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@]1(N)C[C@@H]1C	1901377202	LFTZHSHCTUUHHC-CBAPKCEASA-N	249.336	-0.575	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC([N+](=O)[O-])C1	1901763468	LRJNHGCFNGCGKH-SSDOTTSWSA-N	230.268	-0.504	50	10	BBGE	
Cn1cc(CCN2CC[C@H](B(O)O)C2)cn1	1902515441	GXNMDNDUEJTGLM-JTQLQIEISA-N	223.085	-0.489	50	10	BBGE	
OB(O)[C@H]1CCN(CC[C@H]2COCCO2)C1	1902516519	CHAWYBPFJBOSBS-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)[C@@H](C)C(=O)NN	1908889142	AOMYORAQDCYPML-RCWTZXSCSA-N	240.351	-0.221	50	10	BBGE	
N#CC1=CCN([C@@H]2CS(=O)(=O)C[C@@H]2N)CC1	1917076254	NEEUJTXCZIXEJJ-VHSXEESVSA-N	241.316	-0.734	50	10	BBGE	
CN(CCF)C[C@H]1CC[C@@H](C(=O)NN)O1	1917254738	DFOBVXJYJJRKIB-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
NNC(=O)N1CCOC[C@H]1[C@@H]1CCOC1	1928026369	KFDBJUSEONBOPX-SFYZADRCSA-N	215.253	-0.693	50	10	BBGE	
C[C@@H](CN(C)Cc1csnn1)C(=O)NN	1930601539	VAISEVPZLBVMAZ-LURJTMIESA-N	229.309	-0.404	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C(F)(F)C12CC2	1931750894	IWHFHZBRYJVXRI-GSVOUGTGSA-N	205.164	-0.269	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN1CC(=O)OC(=O)C1	1932191887	ZLSDRVWZMDCPGD-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
CC1(C)C[C@H](O)CN1CCC(=O)NN	1934002749	FFZXJDRSGTWMBG-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)C1	1936090772	JFBCCDDLTSNHAY-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCn1ccc(B(O)O)n1	1940044121	IYUQBLJUBJSMSF-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@H]21	1945076303	XYHBSYODMXQHAG-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)S(=O)(=O)CCl	1955447974	ZLRCBMIEBDTVIA-BQBZGAKWSA-N	245.728	-0.424	50	10	BBGE	
O=S(=O)(CCl)NCC[C@H]1COC[C@@H]1O	1956481391	HRONGAYSDXKZPN-BQBZGAKWSA-N	243.712	-0.501	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OCCl	1957176072	XXIDZKIAWHNHFE-CRCLSJGQSA-N	222.628	-0.448	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC[C@@](O)(CO)C1	1957317402	IGGLSHKUAYYCLR-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2C[C@H](O)C[C@@H]2O)C1=O	1960150239	RIARLVLLJDRQQO-ODHVRURNSA-N	233.695	-0.042	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1C(F)F	1961505494	ZVKSGHZNVPVJLA-WDSKDSINSA-N	223.223	-0.669	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@H](B(O)O)C2)c(C)o1	1972415135	SVDICUUTIJUUMY-QMMMGPOBSA-N	238.052	-0.020	50	10	BBGE	
C[C@H]1CC[C@@H](CCN(C)C(=O)C(=O)NN)O1	1977029052	BQCUEWXBOMCUKQ-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
CON(c1cc(C)c(B(O)O)cn1)C(C)C	1981468723	HGGPTRUEQMIMNH-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CCn2nnnc2C1	1982863738	XFGLZFLZHCSTEW-BQBZGAKWSA-N	243.698	-0.021	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1ccc(B(O)O)cn1	1987863282	VJPMLBUXWGVDGD-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
CC(C)[C@H](C)Cn1cc(B(O)O)ccc1=O	1988301019	DVXFGQOEKFEXEZ-SECBINFHSA-N	223.081	-0.180	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CC(CO)C1	1990047011	LIJCPGVNBKEDDJ-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
CN(C)CCN(CCO)C(=O)C=CC(=O)Cl	1991650043	KMVDOSYFALTUHE-UHFFFAOYSA-N	248.710	-0.310	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CNCC[C@H]1CO	1991652699	QIKMEWQUFJCYRE-YUMQZZPRSA-N	246.694	-0.605	50	10	BBGE	
C[C@H](C(=O)O)N1CC(NC(=O)[C@H]2C[C@H]2Cl)C1	1991674164	BJQRXKOSJZIPEA-MHSYXAOVSA-N	246.694	-0.113	50	10	BBGE	
C=C(COC1CC(CS(C)(=O)=O)C1)B(O)O	1995351826	BNBUSSHJDYJVAA-UHFFFAOYSA-N	248.109	-0.606	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(N2CC(F)C2)C1	1996926071	JMQGPPMGICEELH-HTQZYQBOSA-N	244.314	-0.661	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@@]2(CO)C1	1997169558	FDMRFOAKISLFAZ-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	1997188298	FIUKDXZEWFASKW-GWRHWDGRSA-N	235.287	-0.521	50	10	BBGE	
NNC(=O)C1(CN2CCOCCOCC2)CC1	1997202954	ITSFEZVKVQRCGD-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)N1CCC1	1998336462	AMCCBXCUTKHZGU-UHFFFAOYSA-N	238.027	-0.257	50	10	BBGE	
Cc1cnc(CN(C)C(=O)C(=O)NN)c(C)c1	1998562433	DBASXLWJBBVYCF-UHFFFAOYSA-N	236.275	-0.353	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](C(F)F)C2)nc1	2004912431	SVHUMUBZFYLFDD-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
C[C@@H]1CCN(c2ccncc2B(O)O)C[C@H]1F	2004917676	XSRWWKZRDWXKMO-PSASIEDQSA-N	238.071	-0.054	50	10	BBGE	
CCOCCCN(C)c1ncccc1B(O)O	2004935479	ODEGBUCNXDHUHZ-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H](F)[C@H](C)C2)n1	2004975483	ZNOAMFLNNMJVNH-GMSGAONNSA-N	238.071	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]3C[C@H]32)n1	2005014171	HSIXSPBSPQZJEZ-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
CCCN1CCN(C(=O)C(=O)NN)C(C)(C)C1	2006420764	QGMBTUJYPRNHQT-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980070	QRLHCZDCXQAHOR-XLPZGREQSA-N	249.261	-0.543	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1	2010677295	KTLKQKPPUYKNCI-GUDFOSOFSA-N	236.080	-0.480	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3COC[C@H]32)c1	2013468918	RBLLRPBVDNKDHV-PSASIEDQSA-N	237.259	-0.286	50	10	BBGE	
C=C(CN(C)[C@@H]1C[C@H](OC)[C@H](OC)C1)B(O)O	2021162891	MIIGQIBFLQAPCZ-JGPRNRPPSA-N	243.112	-0.321	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cccc(B(O)O)c1	2022200778	WZQXUOGBFCXLND-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cnc2c(N)ncnc21	2026923393	ALVWEFRDWOHRTJ-RITPCOANSA-N	249.278	-0.405	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2040233076	UXBNKQFQQIYDRD-IWSPIJDZSA-N	246.075	-0.254	50	10	BBGE	
Cc1nc(C(=O)Nc2ccc(B(O)O)cn2)co1	2040764057	YAKGKAQWEFOEMZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
OB(O)c1cncnc1N1Cc2ccccc2C1	2052461924	OYMIWRAVUIGGBH-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
CCc1ccc(B(O)O)c(C=O)c1[N+](=O)[O-]	2060035236	FBFNRIOXXQOVPK-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
Cc1nc(NC(=O)[C@]2(C)C[C@H]2C)ncc1B(O)O	2069485115	RKVKKVPIBFVKHP-KSBSHMNSSA-N	249.079	-0.551	50	10	BBGE	
Cc1nc(N2CC[C@@H]3COC[C@H]32)ccc1B(O)O	2077847753	ZAFIMMRPRSNPOC-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
N=c1nnc(=NC2CC(Cl)C2)[nH][nH]1	2209173715	XFRQLHPDINWJIE-UHFFFAOYSA-N	200.633	-0.717	50	10	BBGE	
OB(O)c1csnc1COCCOC1CC1	2211141296	TXXVPGOKHKMJNC-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCN1C)C(=O)NN	2211854134	HGNBXHGICPCEQX-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2C2CC2)c1	2212614477	DTTWFEGNNGJLMW-SNVBAGLBSA-N	218.065	-0.250	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1CO	2216528087	LCWZAUXRAQQMOU-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](CCF)C2)c1	2217175606	LALSNGBLLYOVAT-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
CC1(C)CNC[C@@H]1Nc1ncccc1B(O)O	2217177530	JZTDLIJQJRNFMQ-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
CN(CCOc1ccc(B(O)O)cn1)C1CC1	2217179772	ODRPSTBZXBEBAE-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1c1cc(B(O)O)ccn1	2217179841	BYTPCQXNFGPMAE-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cn2)CCCN1	2217181280	ZMNVHATYIAVAHD-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
CCN(CCC#N)c1cc(B(O)O)c(C)cn1	2217185086	YHBYIKQFRMRMLK-UHFFFAOYSA-N	233.080	-0.190	50	10	BBGE	
CCC1(Oc2nccc(B(O)O)c2F)CNC1	2217186287	IHJIWPOOLDDSRH-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
CC[C@H](N)[C@H](CC)Oc1ncc(B(O)O)cn1	2217190383	CUKCBBIBXPKFHS-IUCAKERBSA-N	239.084	-0.949	50	10	BBGE	
CCCOc1cnn(-c2cc(B(O)O)ccn2)c1	2223609367	IAARGIHTXNKMFP-UHFFFAOYSA-N	247.063	-0.264	50	10	BBGE	
N[C@H]1CCCCC[C@H]1Nc1ncccc1B(O)O	2223651378	BVOJQFGQOREYNI-WDEREUQCSA-N	249.123	-0.167	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]2CO3)cc1B(O)O	2223652864	MMLLNQHYPMKCDW-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
CN(Cc1cccnn1)c1cc(B(O)O)ccn1	2223672241	SPCGXJBPZNSQKQ-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
CCN1CCN(c2cc(B(O)O)ccn2)C[C@@H]1C	2223674728	MYJOIBRYSJVNCI-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
C[C@@H](CCO)NS(=O)(=O)N1CC(Cl)C1	2241330957	GKNUFUUIEBBVIR-LURJTMIESA-N	242.728	-0.485	50	10	BBGE	
Cn1c(O)cc(=O)n(C(=O)CCl)c1=O	2241372976	HRRNPUAWLQYAJJ-UHFFFAOYSA-N	218.596	-0.868	50	10	BBGE	
CCCONC(=O)[C@H]1C[C@@H](B(O)O)C1	2241480528	MECLRDXCHDXIBL-KNVOCYPGSA-N	201.031	-0.303	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2243347153	IAYGBQCZIUGBAM-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
CCC=CCNC(=O)c1ncsc1B(O)O	2243358108	CEEUQVVUBDYVOM-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CC(C)[C@H](CCO)NC(=O)C1(B(O)O)CC1	2243359940	YNMRPCMOCWRBHH-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243364251	TZDFYGFKTHIBQW-OCAPTIKFSA-N	227.069	-0.323	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CN)CCC1	2243366031	WKCLJQCOHAZLGN-UHFFFAOYSA-N	226.085	-0.667	50	10	BBGE	
CC(C)(F)CNC(=O)c1sncc1B(O)O	2243386097	USLIDASBEWPEGN-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
C[C@@H](C1CC=CC1)N(C)C(=O)C#CB(O)O	2243400708	GQVWFILSWXTLAY-VIFPVBQESA-N	221.065	-0.185	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1C(=O)C1(B(O)O)CC1	2243411046	MYEXRKJOJIHYFN-HTQZYQBOSA-N	226.085	-0.668	50	10	BBGE	
C[C@H](CCN)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243418032	ZIDVOSDHNPLMEC-HLTSFMKQSA-N	228.101	-0.565	50	10	BBGE	
Cc1nonc1CN1CCC(B(O)O)CC1	2244178599	SZXADCZPWHKXQL-UHFFFAOYSA-N	225.057	-0.183	50	10	BBGE	
C[C@@H](CC(=O)NCCC#CB(O)O)C1CC1	2244545735	BKEXUMUJWOZHOG-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
C=CC[C@@]1(CO)CCN([C@@H](C)C(=O)NN)C1	2244832976	LFEOSOHMVVWGIZ-GXSJLCMTSA-N	227.308	-0.375	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1coc(B(O)O)c1	2247736520	WHPODRHQHXDNPR-RKDXNWHRSA-N	235.048	-0.512	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2C[C@@H]2C)c1	2247752808	WFCJYMWIBXAGJU-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
C[C@@H]1CNC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247755441	QAAZXCORBNXUNU-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CC=CCCNC(=O)c1cc(C)c(B(O)O)o1	2247789085	POZRWYSQHJOYJP-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
CCOC(=O)CCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247791994	PPKDXHUUXIIPLM-YUMQZZPRSA-N	243.068	-0.739	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247796769	CRRFCIYBIYQKKH-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
CCN(CC)CCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247800764	SOAPIAQIZKWXHM-NXEZZACHSA-N	242.128	-0.303	50	10	BBGE	
O=C(Nc1noc(C2CC2)n1)C1(B(O)O)CC1	2247871514	CJOMYCBQUZTANB-UHFFFAOYSA-N	237.024	-0.108	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)cn1C	2247874021	NVQKWKJKDCACDK-VXNVDRBHSA-N	236.080	-0.815	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893229	OHYQUNJHTGNFSG-DKEVHCRPSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247895024	NFQQXOOUCLVSLG-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2248576889	JKDSXJSUDDHAJL-KKMMWDRVSA-N	241.052	-0.828	50	10	BBGE	
O=C(Nc1ccnnc1)c1cc(B(O)O)co1	2249409622	WNPDBDADSXMJHR-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2249419313	FVFZNZQZUSWPSV-JTQLQIEISA-N	233.032	-0.899	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2255443661	CGCGGJGEVABBBX-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1cc(B(O)O)c[nH]1	2255461343	GRZXQEQECZOQGV-SNVBAGLBSA-N	248.091	-0.528	50	10	BBGE	
CC[C@]12C[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255466055	SLPGULPFCMHHSW-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
CCC1(C)CN(C(=O)c2ncc(B(O)O)cn2)C1	2255478234	CZRWGYIHJACZDB-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1ccc(B(O)O)cn1	2255531777	RKKNPKDSHRZBBH-SECBINFHSA-N	246.075	-0.543	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOc2ncccc21	2255579655	UBSZYTPBNUMBFG-HTQZYQBOSA-N	248.047	-0.330	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1C[C@H]2C[C@@H]2C1	2255669923	UPMJICRGQUAAJA-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2255692755	WLZUCXFLUYDCPV-DTWKUNHWSA-N	246.075	-0.757	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1C[C@H]2C[C@@H]2C1	2255742424	BQQAGUMZBZMFOH-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2260415853	UOSVSYMKGWNRJU-CHWSQXEVSA-N	249.119	-0.288	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CC2)c1cc(B(O)O)c[nH]1	2260560128	YRYDJABROHIBQY-QPUJVOFHSA-N	248.091	-0.243	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2298208566	JQCAORLDKPURHF-GUDRVLHUSA-N	239.319	-0.277	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2298369173	LMLMYNIBAKVTSX-KGDYZURWSA-N	239.080	-0.610	50	10	BBGE	
CN(CC[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369287	PLFLQTPSYAJDBD-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CN1CC[C@@H]1COCc1ccc(B(O)O)cc1	2299045515	ZRQPBYGEVZFGBI-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1C[C@H](n2cncn2)C1	2300920778	JSZZCIBSKAMAMP-CIUDSAMLSA-N	239.279	-0.233	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC=CCO	2301341590	RAKVIZCFGWIVDT-UHFFFAOYSA-N	232.048	-0.802	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](O)[C@H](F)C1	2302021334	YNCUVGSQMMWJRP-OPRDCNLKSA-N	247.314	-0.060	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)C1CC(B(O)O)C1	2302385520	NUJRCFHLYCJZGS-SYEZBEBOSA-N	238.096	-0.894	50	10	BBGE	
Cc1nc(OC[C@H]2CC[C@@H]3C[C@H]23)ncc1B(O)O	2310903295	FILBOESRROFZNU-BBBLOLIVSA-N	248.091	-0.110	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@@H]3CCCO[C@@H]32)c1	2312612367	SWCOLHRJQMXBKZ-NHCYSSNCSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1cocc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2	2313083923	UMNPZEMOMAFWOG-BDAKNGLRSA-N	247.059	-0.108	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(N)CCC1	2317164771	DGOOOZBVCGMKDR-UHFFFAOYSA-N	245.091	-0.469	50	10	BBGE	
CCNC=C(C#N)C(=O)N1CCNCC1	2324216693	PGYFLWRJKVMERH-UHFFFAOYSA-N	208.265	-0.565	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNCC(=O)O	2324722208	FQTIICMHJNIOCX-UHFFFAOYSA-N	241.247	-0.779	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C=O)C1	54217986	VWKHVCBKHFVJCK-SECBINFHSA-N	227.264	-0.935	50	10	BBGE	
CC(C)N(CCO)C(=O)CCCC(=O)NN	58849998	NRUKAJBQEKODKQ-UHFFFAOYSA-N	231.296	-0.624	50	10	BBGE	
NNC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21	64503367	DGAWJHVAENNJEY-UHFFFAOYSA-N	235.203	-0.066	50	10	BBGE	
Cn1nc(-c2cccnc2)cc(C(=O)NN)c1=O	77066463	JBXZMGUMVKWFLC-UHFFFAOYSA-N	245.242	-0.554	50	10	BBGE	
NNC(=O)CCSc1nc(N)cc(N)n1	82472901	BSGRDEGRWOEGKS-UHFFFAOYSA-N	228.281	-0.887	50	10	BBGE	
CN(C)C[C@@H]1C[C@H](O)CN1C(=O)CCl	85082792	VTOATKFKMDXMPG-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)NNC(=O)c1c[nH]nn1	126537946	QGYBALDPHOQAKI-RXMQYKEDSA-N	223.236	-0.388	50	10	BBGE	
CN(CCO)C[C@@H](O)CBr	156314574	KTFQMSFFRQEKGO-LURJTMIESA-N	212.087	-0.334	50	10	BBGE	
O=CN1CCN(C[C@@H](O)CCl)CC1	221880434	PXXNVKKRTIRULZ-QMMMGPOBSA-N	206.673	-0.640	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@]1(O)CCOC1	227128239	GGUOYSXWQPXPAN-HTRCEHHLSA-N	207.657	-0.119	50	10	BBGE	
CNCCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	229020863	VYNDFWQVNIRTRC-ZJUUUORDSA-N	244.339	-0.935	50	10	BBGE	
C[C@H](CN(CCO)CC(F)F)C(=O)NN	231592404	TVYISELGWMOLBX-ZCFIWIBFSA-N	225.239	-0.828	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC(=O)NC(=O)C1	235121005	VBEIITLVSUDIBZ-SCSAIBSYSA-N	249.064	-0.745	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)ccn1	235763132	VEOMPYQQCUEGAH-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
NNC(=O)c1cccc(COC2COC2)n1	236234660	UVTMSZZIJMEENO-UHFFFAOYSA-N	223.232	-0.400	50	10	BBGE	
CC(=O)CCOc1ccc(B(O)O)cc1	238100339	OSQJCVVOHGAFBT-UHFFFAOYSA-N	208.022	-0.276	50	10	BBGE	
COc1c(C=NNC(N)=O)c(C)nn1C	252894876	XDVAOUYIROVVHI-UHFFFAOYSA-N	211.225	-0.261	50	10	BBGE	
O=[N+]([O-])c1cc(F)cc(B(O)O)c1F	306523707	UPSIYPXOIQOCMN-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
C[C@H](C#N)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	306757964	NYRMFIXEKJWCDF-DSYKOEDSSA-N	222.697	-0.108	50	10	BBGE	
Nc1c(O)c(B(O)O)cc2ccsc12	306872482	VISPAUPMBDUSKM-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C)C1	309684202	BHKDKWOGBIOIKK-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CCC1)C1CC1	325145723	HJTKHJGVVWRQHC-MRVPVSSYSA-N	211.265	-0.329	50	10	BBGE	
OB(O)c1ccc(OCCN2CCC2)cc1	380834262	QUKFRVNLBRNTKE-UHFFFAOYSA-N	221.065	-0.549	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC12CCCCC2	387082676	ZDPDOAJUNVMYLJ-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
CCCC(=O)NCCNC(=O)NC(=O)CCl	393050739	GBSJBILNSZRUGD-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
Nc1cc2ccsc2c(B(O)O)c1C=O	396268747	FGLALXFBILOQDA-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc2scc(O)c2cc1B(O)O	396338423	IRTJDXIMMWJLLB-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCOC1	398959614	YAHAHRIFUWQMER-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)CC(=O)NN)CO1	401554315	BVKZZKHTCBPHFA-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COC1(CO)CCN([C@@H](C)CC(=O)NN)CC1	402741940	WXAOEEFUHVCGLP-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)CC(C)(C)C(=O)NN	688146486	PRSACVGMDOCJBL-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCSC1	689510686	LPGOIYQDLHWXMK-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
OB(O)c1cnn(CCOc2ccccc2)c1	694487936	OVXVCYYSSFKHEL-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@]1(C)CO	694659489	AKAIXTHWOUWRJX-MWLCHTKSSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H]([C@@H]1CNCCO1)N1CCC(O)(C#N)CC1	699650154	WECGVDFJSXOYKT-QWRGUYRKSA-N	239.319	-0.286	50	10	BBGE	
O=C(CCl)[C@H](O)[C@H](O)[C@@H](O)CCl	701693054	MLQSSVPAOPJIFW-LFRDXLMFSA-N	217.048	-0.884	50	10	BBGE	
CCO[C@H]1CCN([C@H](C)CC(=O)NN)C1	701693682	XEZFXNYLWMATDW-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCN(C)C(=O)Nc1cccc(B(O)O)c1F	701931983	OANWFMAWOTVQPW-UHFFFAOYSA-N	240.043	-0.011	50	10	BBGE	
CNNC(=O)c1cnc2ncnn2c1C	707684762	BUHDUJAIFJFTAP-UHFFFAOYSA-N	206.209	-0.703	50	10	BBGE	
C[C@H](CN(C)C)Oc1c(F)cccc1B(O)O	713945261	NPADZXPXAKCPQY-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1	718524832	HOEYXLGHMVVELZ-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@]1(C)CO	723001662	ZXZZUEBHVAWWBY-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)NNC(=O)[C@H]1COCCO1	752033051	IUCQLUFLDPEUSO-HTQZYQBOSA-N	242.275	-0.405	50	10	BBGE	
CCc1onc(C)c1C(=O)NNC(=O)CO	776188515	FKKFZFUMUHMLQK-UHFFFAOYSA-N	227.220	-0.701	50	10	BBGE	
CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NN	825645355	XVLHRRSMYBRBMZ-RQJHMYQMSA-N	231.321	-0.076	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)c1cc[nH]n1	862168044	KUGXHMSUYABSSG-UHFFFAOYSA-N	220.232	-0.029	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cn2c(n1)CCC2	910147083	OWDHYFYVOMHQRS-MRVPVSSYSA-N	238.291	-0.213	50	10	BBGE	
Cc1ncc(C(=O)NNc2nnc(C)n2C)n1C	1335079738	YNVDSDCKHLQZSV-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1ccncn1	1449875347	OFSJFTGVJUTBHW-XDVGHUOJSA-N	208.221	-0.143	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)on1	1587133260	NGXPZSGSCIACGI-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
NC[C@H](OC[C@H]1C[C@@H]1Br)C(N)=O	1881362772	MGKNKRKCQCPXRY-SRQIZXRXSA-N	237.097	-0.401	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@H]1C[C@@H]1Br	1883533178	PIAFNHSNVFLTDY-WDSKDSINSA-N	249.108	-0.026	50	10	BBGE	
CN(C)CCNC(=O)C=CC(=O)Cl	1883626264	DLGASMUBBAQURR-UHFFFAOYSA-N	204.657	-0.014	50	10	BBGE	
O=S(=O)(CCO)NCC1CC(Cl)C1	1883650345	GMTDNROHZGSNNL-UHFFFAOYSA-N	227.713	-0.085	50	10	BBGE	
CC[C@@H](OC[C@@H]1CCN1C)C(=O)NN	1886370196	IXMZYSAHMMXGHS-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2[C@H](C1)CS2(=O)=O	1887049780	KCMZTAYBOLSEOC-FSDSQADBSA-N	237.708	-0.131	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@]1(C)CCOC1	1888042860	LHVPMBRDZLREPR-APPZFPTMSA-N	202.254	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@H](O)CO	1893416952	JAIDKNNRVVTURO-ZCFIWIBFSA-N	221.640	-0.833	50	10	BBGE	
CS(=O)(=O)c1ccc([C@@H](N)[C@@H](O)C#N)cc1	1894490693	BFIGAUGKNGVAIW-VHSXEESVSA-N	240.284	-0.026	50	10	BBGE	
CC(C)(CN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	1895662255	MJQZWPMHSJAAJS-XHNCKOQMSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](COC2COC2)O1	1896929335	NTNMMEWLVWJNEB-APPZFPTMSA-N	230.264	-0.671	50	10	BBGE	
CC=C(C)C(=O)Nc1cccc(B(O)O)n1	1901524960	AKCNPPPSAISMSA-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C[C@H]1CN(Cc2nc(B(O)O)cs2)C[C@H]1F	1902641205	LKVFGSXNBPCTFJ-NKWVEPMBSA-N	244.100	-0.387	50	10	BBGE	
CC[C@](C)(CN(C)CCC(N)=O)C(=O)NN	1902715005	BPUHEJUAHAOCFG-SNVBAGLBSA-N	230.312	-0.800	50	10	BBGE	
C#CCN1CCC(=O)N(C[C@H](O)CCl)C1=O	1903198536	FYWICMBPJOAVSQ-MRVPVSSYSA-N	244.678	-0.126	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)N1CC=C(C#N)CC1	1911226733	HHMQSDXSRQWVBD-APPZFPTMSA-N	209.249	-0.623	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@](F)(CO)C1	1917086128	DSCMGBMVRBHIDU-SCZZXKLOSA-N	233.287	-0.449	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CC[C@@H](O)C1	1923209273	QLBHUPPWULSZJM-CRCLSJGQSA-N	240.181	-0.143	50	10	BBGE	
CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N1	1923414013	PITMOVNWNVDXDE-LURJTMIESA-N	243.263	-0.227	50	10	BBGE	
CN(CC(F)F)CC1(C(=O)NN)CC1	1931264552	BMRAEGMIRIQCJA-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CN1CCO[C@H]2CN(C(=O)CCl)C[C@@H]21	1933289783	MLPBTNHRFQKSLV-YUMQZZPRSA-N	218.684	-0.233	50	10	BBGE	
CC(C)OC(C)(C)Cn1ccc(B(O)O)n1	1935541264	KVFBAJIMRPWIBM-UHFFFAOYSA-N	226.085	-0.234	50	10	BBGE	
COC[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1935945573	VDUAAMKNEYIDNV-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC2=O)n1	1937410379	RTFOREZEPKBGLT-UHFFFAOYSA-N	220.232	-0.583	50	10	BBGE	
CC(C)(C)N(CCO)CC1(C(=O)NN)CC1	1938234799	YRFCUVPGSORAHI-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](COCC1(C(=O)NN)CC1)OC	1938248176	BVIGWDBGWVPJLB-MRVPVSSYSA-N	232.280	-0.566	50	10	BBGE	
CSC1CN(Cc2ccccc2B(O)O)C1	1939043892	HTFYDWFYQXWLFU-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@@H]1C[C@@H]1C(=O)NN	1941086761	KHDABLOXFUZPPB-QWRGUYRKSA-N	242.367	-0.116	50	10	BBGE	
CN(CC1CCOCC1)C[C@H]1C[C@@H]1C(=O)NN	1941089802	XFOIGUDYMWOHQK-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
CCc1nc(CC)n(CCOCC(=O)NN)n1	1941780722	SLVUYCLVLCFDTK-UHFFFAOYSA-N	241.295	-0.591	50	10	BBGE	
CN(CCN(C)C1CC1)C[C@H]1C[C@@H]1C(=O)NN	1941990807	CZBGMBOVYACUNK-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1944298742	OLNANSBTCOMWRQ-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc(C2CCC2)n1	1946065567	ICQKWKAKXJQOOT-MRVPVSSYSA-N	239.279	-0.277	50	10	BBGE	
CN1CC2(C1)CN([C@@H](C(=O)NN)C(C)(C)C)C2	1946904967	DWHKCTXVIDWYOB-VIFPVBQESA-N	240.351	-0.362	50	10	BBGE	
O=C(CCc1cccc(F)c1)NCB(O)O	1951322243	ZCYYFENIPDAOFC-UHFFFAOYSA-N	225.028	-0.114	50	10	BBGE	
CS(=O)(=O)N1C[C@@H](Cl)[C@@H]2COC[C@@H]21	1954366482	RGIQIKZYHOUMDN-XVMARJQXSA-N	225.697	-0.116	50	10	BBGE	
C[C@@H](Cl)C(=O)C[C@@H]1CNCCS1(=O)=O	1955170558	KJNCSKAIJOQHND-RNFRBKRXSA-N	239.724	-0.041	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H](CN)C1	1956243021	TWFHXZMNQHMLGL-MRVPVSSYSA-N	200.286	-0.157	50	10	BBGE	
CCc1nc(C)c(C(=O)NCB(O)O)o1	1960517180	CDLMDFSMBJQAJJ-UHFFFAOYSA-N	212.014	-0.713	50	10	BBGE	
Cc1ncnc(OC(C)(C)C)c1B(O)O	1961694971	WULCXXJUEJYJOF-UHFFFAOYSA-N	210.042	-0.358	50	10	BBGE	
CSCC[C@@H](O)C(=O)N1CC[C@H](B(O)O)C1	1972404111	WXQPUPBJRHUJNA-JGVFFNPUSA-N	247.125	-0.824	50	10	BBGE	
CN(C)[C@@H]1CCN(CC(=O)NN)C2(CC2)C1	1976696566	AINLQJFCIBJWPP-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCC(F)F	1979436884	NZVQMDCOXXGMEG-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)C(=O)N(C[C@H]1CCOC1)C1CC1	1980761277	HIILPEQUFPCTTJ-SSDOTTSWSA-N	227.264	-0.996	50	10	BBGE	
CN(CCCn1ccnc1)CCC(=O)NN	1980765083	FBGUSDDDDFEDAN-UHFFFAOYSA-N	225.296	-0.415	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3C[C@@H]32)c1B(O)O	1981408943	HCJGYLRESXJILZ-IUCAKERBSA-N	218.065	-0.332	50	10	BBGE	
Cc1ncnc(OCCC(C)C)c1B(O)O	1981423980	MDOLKAGGZBGGFD-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
CCO[C@@H]1CC[C@@H](CNC(=O)C(=O)NN)C1	1982332707	FHTNMWPGHOWPPR-HTQZYQBOSA-N	229.280	-0.702	50	10	BBGE	
CN(C)S(=O)(=O)N1CCCC[C@H](N=C=O)C1	1984291085	YMLCTQXAIJYAQI-VIFPVBQESA-N	247.320	-0.017	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	1986052793	DHFFMYGHFMXLCG-DOLQZWNJSA-N	227.308	-0.136	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1ncccc1B(O)O	1987863665	YLPWDXBWRLPDQD-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
CCOCCOc1ncc(F)cc1B(O)O	1988005210	YBIZFQDMKFPYKF-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
CC(=O)NNC(=O)Cn1nc(C)c(N)c1C	1989354557	QWERZZSQEJCAJI-UHFFFAOYSA-N	225.252	-0.751	50	10	BBGE	
CN1CCC[C@H](N(C)CCC(=O)NN)CC1	1989762273	VUAGPEQTUAJDQJ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CN(CCn1ccc(B(O)O)n1)C(C)(C)C	1989942458	WZLSUNINQCSIIP-UHFFFAOYSA-N	225.101	-0.707	50	10	BBGE	
C=C[C@]1(O)CCN([C@H](CCC)C(=O)NN)C1	1990539525	LOSUMULKKGRYLQ-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(n2ccnn2)C1	1991649765	HHQUAHXUZLLAAD-UHFFFAOYSA-N	240.650	-0.017	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1991700109	NQCRZSCWSVHROM-OKMVUIKXSA-N	245.706	-0.044	50	10	BBGE	
CC[C@H](COC)CC(=O)NCC#CB(O)O	1992152465	FJQPRICEYMBTEO-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
CN(CC1(F)CC1)c1ncc(B(O)O)cn1	1995036503	NRVIYXNBSIRGJJ-UHFFFAOYSA-N	225.032	-0.905	50	10	BBGE	
CC(C)COC(=O)Nc1ccc(B(O)O)cn1	1996647332	LAWYQSXOBCFKPM-UHFFFAOYSA-N	238.052	-0.034	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCN(C2CC2)C1	1997511973	GPPFKIHAISNLHS-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12COC[C@@H]1C2(F)F	1998712114	ILVNXGLXQBQDML-BKPPORCPSA-N	249.261	-0.422	50	10	BBGE	
C[C@@]1(C(=O)N[C@@H](CB(O)O)C(=O)O)C=CCC1	2003321833	AUPPTLYWSKMAON-OIBJUYFYSA-N	241.052	-0.615	50	10	BBGE	
CC(C)NC(=O)[C@H]1CCCN1[C@H](C)C(=O)NN	2003616632	JZEWUEMLHLYRTF-RKDXNWHRSA-N	242.323	-0.646	50	10	BBGE	
Cc1ccnc(N2CC(C(F)F)C2)c1B(O)O	2004920161	HMEASYLJAGQBEK-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
Cc1ncnc(-n2cnc(C)c2C)c1B(O)O	2004991976	YAHSKOVGYREEJE-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1ncnc(OC[C@@H]2[C@@H](C)[C@H]2C)c1B(O)O	2011597315	MHNSSFIEFAQIRP-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
CCC[C@H]1C[C@@H]1COc1ncncc1B(O)O	2022578851	IYURVJQBSLPDBL-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
CN(C)NC(=O)NC[C@]12CO[C@](C(=O)O)(C1)C2	2026198128	RCPNAJUGUFMZOC-AOOOYVTPSA-N	243.263	-0.604	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H]3C[C@H]3C2)n1	2050241295	HFDYCFZOCYTQFF-IUCAKERBSA-N	249.318	-0.135	50	10	BBGE	
Cc1ccnc(N2CCN(C)[C@@H](C)C2)c1B(O)O	2052473417	SFBTXSHBWVHYPQ-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CO[C@@H]1CN(c2ccc(B(O)O)cn2)CC12CC2	2052473464	SSRHDBJOWBAEFF-SNVBAGLBSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@H]3CC[C@H]2C3)nc1	2052492269	OYUNUAWUDXFZCY-LPEHRKFASA-N	248.091	-0.029	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)c1nc(C)ncc1B(O)O	2052617673	HEPDDSRJGQFGLN-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
Cc1ccc(Cn2cccc(B(O)O)c2=O)cn1	2058156143	RUIMHTVPGDERAP-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
N#Cc1ccc([N+](=O)[O-])c(B(O)O)c1F	2060175119	XVZYDYLPIGAEHQ-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
C[C@@]12CC[C@@]1(C)CN(c1ncc(B(O)O)cn1)C2	2060858175	MPZCKKKUGQYDHH-RYUDHWBXSA-N	247.107	-0.217	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	2074933801	MXFQENQZRHXKHI-FIQHERPVSA-N	249.314	-0.092	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1Cc2cc(O)nnc2C1	2085237355	MIMRPULQLFGCJX-XPUUQOCRSA-N	249.274	-0.876	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCC[C@H](O)[C@H]1O	2210148118	ZQUQHLGCXFJVRB-LJKCHSFWSA-N	247.678	-0.302	50	10	BBGE	
CN1CC[C@@H](OCc2cc(B(O)O)cs2)C1	2211079640	VUAPKLOWBXHFGY-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
Cn1cc(OC[C@H]2CC[C@@H]2C(=O)NN)cn1	2211827132	AQJXWGWPHFDUPV-APPZFPTMSA-N	224.264	-0.185	50	10	BBGE	
NCCC1(Oc2ccc(B(O)O)cn2)CC1	2212607034	FEUTUTBBGXNLDU-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@H](O)[C@H]1CC2	2216251337	FANASHGIVABJFP-PRJMDXOYSA-N	249.261	-0.401	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C[C@H](C)CO)C1	2216704212	TZRDVKIQPIZVGG-ONGXEEELSA-N	243.351	-0.049	50	10	BBGE	
C#CCCCCCN=c1cc(B(O)O)cc[nH]1	2217172306	JCTCZRLWKIECPS-UHFFFAOYSA-N	232.092	-0.211	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3CC[C@@H]32)nc1	2217176435	WGWXFRVEJJALQB-UJNFCWOMSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2cc(B(O)O)ccn2)[C@H]1C	2217176705	ZNYCCMPCAZHCEG-NRPADANISA-N	236.080	-0.403	50	10	BBGE	
CO[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217179931	OXZGQLTYGJBQGA-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
CC(C)C[C@@H](N)COc1ncccc1B(O)O	2217182255	BCZGFZUBFRVOET-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1cc(B(O)O)c(C)cn1	2217182372	AACMKGRVWHCLBJ-SCZZXKLOSA-N	236.080	-0.483	50	10	BBGE	
C#CCOc1ccc(B(O)O)c(C(F)(F)F)n1	2217182450	AVFPLTUSPVCHHY-UHFFFAOYSA-N	244.965	-0.208	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@H](F)C2)cc1B(O)O	2217182667	GCHLZGMJIKLTMW-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)CCCNC1	2217184895	SAKPDQDYARKWNK-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
CCCOCCOc1cc(B(O)O)c(C)cn1	2217191040	IEUGUXWTDVGUQE-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CN(C[C@H]1CCOC1)c1cc(B(O)O)ccn1	2217200254	RWQDMQDZPGPPGZ-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CCC[C@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217203457	VFVPCYOBPCOQPJ-IUCAKERBSA-N	235.096	-0.574	50	10	BBGE	
C[C@@](O)(CNc1cc(B(O)O)ccn1)C1CC1	2217205307	XBOPNEYUWSWUIM-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@@H]1CN	2223632891	PJICIDYKVJGTBJ-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
C[C@H]1OC2(CNc3ccc(B(O)O)cn3)CC1C2	2223646535	MGRZYLMARGXCEJ-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1C[C@@H]2CC[C@H]2C1	2224030849	NQKUDWJAYDLCKA-UWVGGRQHSA-N	248.091	-0.641	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccsc1B(O)O	2243358753	KMBODWFIKAVGOL-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)C1(B(O)O)CCC1	2243363291	DODUJQFYWYCZSG-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)ccc1C	2243367306	QPUFQQQSSVZEGO-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)F)oc1B(O)O	2243378535	VDXHJAZZIIBTGW-LURJTMIESA-N	229.016	-0.644	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1ccc(B(O)O)s1	2243406664	CKRRYQQBCGJQGS-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
CCN(CCF)C(=O)c1csc(B(O)O)c1	2243407216	NRJGLJMHRKEJIU-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1csc(B(O)O)c1	2243408780	UZMYMJAHCQDESP-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)[C@@H]1CO	2243409445	IAYWWMUTIKBYSM-SSDOTTSWSA-N	227.069	-0.777	50	10	BBGE	
NCC(F)(F)CNC(=O)C1(B(O)O)CCC1	2243411000	LZQXLQCJHMTXKX-UHFFFAOYSA-N	236.027	-0.906	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243425665	ARQSIHSZSAOBLU-RYPBNFRJSA-N	227.069	-0.921	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CN(C)C(=O)C(=O)NN	2243810880	NTXFCUOZBISVOQ-GMSGAONNSA-N	229.280	-0.893	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ccnnc1	2245393992	PITPSSGJDPJSTA-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
CC(C)(C)O[C@@H]1CCN(C(=O)C#CB(O)O)C1	2247747630	QDJWLYGJENYZPQ-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C(=O)C1(B(O)O)CC1	2247753173	CIELFTHTANUKOS-BDAKNGLRSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@H]1CCN[C@H]1C1CC1)C1(B(O)O)CC1	2247762991	LFCUCAMARIKGIU-IUCAKERBSA-N	238.096	-0.750	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247879767	VPNHNDXVZDIYPL-WPRPVWTQSA-N	241.096	-0.197	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1cc(B(O)O)cs1	2247886624	DLSHHKSAUAUKMC-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
CCCn1ccc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247896329	YIRNGYFEAGPTMQ-YUMQZZPRSA-N	237.068	-0.484	50	10	BBGE	
CN(C)C1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896339	YLAAZPCYQXCTNJ-FIORISEFSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@@H](CO)C1	2247899403	NDJLCFCEQLNSBQ-OPRDCNLKSA-N	241.096	-0.530	50	10	BBGE	
O=C(NC[C@@H]1CCCOCC1)[C@H]1C[C@H]1B(O)O	2247899432	NHWPTOQBGBKWBH-KXUCPTDWSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](F)[C@@H](CO)C1	2247908970	CNCXUQHYGDZECR-LURQLKTLSA-N	245.059	-0.972	50	10	BBGE	
CCN(C)C1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247911331	VIEBCRMNIHAIBD-DTORHVGOSA-N	240.112	-0.598	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@H](C)CO)c1	2248477355	YAGFCORCQAJZKJ-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@@H]1B(O)O	2248585729	PTPGDCOOGPEVCC-KVPKETBZSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCN1	2249944931	QCZYLTYRJVAAMG-AUXWQGHOSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](CCN(C)C)N(C)CCOCC(=O)NN	2250969781	VSLXYESQSMNETI-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2255444177	IRABNVJYQWWWHL-SNVBAGLBSA-N	249.075	-0.004	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1ccncc1B(O)O	2255454809	SCWJYCUDGZJQHZ-NQMVMOMDSA-N	248.091	-0.464	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1ccc(B(O)O)o1	2255468053	VNZLEDBHHLLIKE-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC[C@H]2C[C@H]21	2255498145	NPCNTRKIOMLSJR-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(F)ccc1B(O)O	2255500258	IBSDUFMGLMVCGT-VIFPVBQESA-N	249.050	-0.046	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cncc(B(O)O)c1	2255519635	ZXCWDAJEEMTVDO-AKZRSSKFSA-N	246.075	-0.710	50	10	BBGE	
Cc1ccnc(C(=O)N(C)CCC#N)c1B(O)O	2255582523	WCTUIMLWWOYDCP-UHFFFAOYSA-N	247.063	-0.945	50	10	BBGE	
C#CC1(CNC(=O)c2coc(B(O)O)c2)CCC1	2255685418	AAFSQRSHPDVTGT-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
C/C=C/CCCNC(=O)c1ccc(B(O)O)cn1	2255692543	MAXJYAZFBFQKGR-NSCUHMNNSA-N	248.091	-0.153	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CC=CC[C@H]21	2258135369	RERAWHUGYCKCBG-WCBMZHEXSA-N	247.059	-0.250	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370452	YXNKVIXAIQDDRV-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1N	2301346143	NRNIGQLLWZJKHG-MWLCHTKSSA-N	231.064	-0.860	50	10	BBGE	
CO[C@@H]1CN(CC(B(O)O)=C(C)C)C[C@H]1OC	2301854139	IDHHJZRSMNEWFN-GHMZBOCLSA-N	243.112	-0.320	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2OC	2302208640	XIDOSACFIQKWIG-XFWSIPNHSA-N	243.307	-0.900	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1C[C@@H]2N(C)C)C(=O)NN	2302403491	MALTVUUIOAPDAN-RCWTZXSCSA-N	240.351	-0.363	50	10	BBGE	
C#CCN(c1cc(B(O)O)c(F)cn1)C(C)C	2303836068	HRVYNCFTWBUOLC-UHFFFAOYSA-N	236.055	-0.252	50	10	BBGE	
COc1cnc(CN(C)CCC(=O)NN)nc1	2307220321	PAKDKHQUFSVJBY-UHFFFAOYSA-N	239.279	-0.703	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ncccn2)C1	2307629636	ZVBZUDYDTRLLMA-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
CC[C@@H](C)NC(=O)CCNC(=O)NN	45014861	WLUSGTFGYUIIMY-ZCFIWIBFSA-N	202.258	-0.536	50	10	BBGE	
O=C(N/N=C/c1ccc(O)c(O)c1)c1nc[nH]n1	59378754	MNWSKNGULHWAKR-UUILKARUSA-N	247.214	-0.020	50	10	BBGE	
NNC(=O)c1c(-c2cccnc2)cnnc1O	77058682	HBIHUBXUNZBLSW-UHFFFAOYSA-N	231.215	-0.152	50	10	BBGE	
Cn1c(SCCCCC(=O)NN)n[nH]c1=O	82472657	GUHNKYSZLMAUAE-UHFFFAOYSA-N	245.308	-0.639	50	10	BBGE	
NC(=S)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	83590969	DISMDBOOACPNBR-UHFFFAOYSA-N	229.221	-0.599	50	10	BBGE	
C[C@H](CN1CCN(CC2CC2)CC1)C(=O)NN	110598046	MFXQULIVQHPPGK-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
C#CCN(C)CC(=O)NNC(=O)C1CCC1	192237031	WLKHLMWPEAWMLF-UHFFFAOYSA-N	223.276	-0.501	50	10	BBGE	
CO[Si](CC[C@H](N)CCN)(OC)OC	196369476	KHLRJDNGHBXOSV-MRVPVSSYSA-N	222.361	-0.069	50	10	BBGE	
CN(C=O)Cc1cc(F)cc(B(O)O)c1	208614222	IISHERONTYHFNM-UHFFFAOYSA-N	211.001	-0.906	50	10	BBGE	
COC[C@@H](Oc1ccc(CO)cc1)C(=O)NN	232418310	WTOZVIPIMYOQPZ-SNVBAGLBSA-N	240.259	-0.437	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)CCN1C	251682808	HXPPVNLAOIMRJE-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)C1CCOCC1	258973423	DJAHRBNGJFAEML-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C[C@@H](N)c1ccc2c(c1)OCCO2	258986945	KOQPPYSTODTHFQ-MRVPVSSYSA-N	237.259	-0.162	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C	307010781	OHMRURFLSZZQLT-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CCC(=O)NN	307602189	TUSQBBKIQPUQEW-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
COCCCNC(=S)NNC(N)=O	308468933	JVXQHMFFTMAXII-UHFFFAOYSA-N	206.271	-0.930	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)c(F)cn2)cn1	309179610	BNVJXIMQOGTTGK-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
CC[C@@H](CO)N(C)CC(C)(C)C(=O)NN	379008492	JCKULNZOVOOKOG-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
COC(=O)CCO[C@@H]1CNNC(=O)[C@H]1Cl	379871094	QNLWZUXYCKNVRB-VDTYLAMSSA-N	236.655	-0.824	50	10	BBGE	
NNC(=O)CCCCN1CC(O)(C2CC2)C1	384125047	KCQMPSKHEFZSHX-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](CN)C1	395794070	ALQFHLIBZREYIN-BDAKNGLRSA-N	228.340	-0.328	50	10	BBGE	
CCc1ccc(CCC(=O)O)c(B(O)O)c1	396060749	SIKZAUIFVJNOCA-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
O=C(O)c1csc2cc(O)cc(B(O)O)c12	396389394	VTIONCKJRKEAMI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
NNC(=O)[C@H]1C[C@H](F)CN1C(=O)C1CC1	399718982	GIPKBDIAEMKVKX-NKWVEPMBSA-N	215.228	-0.675	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H](C)C(=O)NC	490781813	FFSKPIPMPRAGKD-QHRPWQPMSA-N	225.248	-0.319	50	10	BBGE	
C[C@H]1CC(=O)NCCN1S(=O)(=O)CCl	606290077	FBMSOBWSVOFSCQ-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
O=C1CN(C[C@@]23COC[C@H]2C3)CC(=O)O1	689259275	DWKYBRLHXBPWQA-XCBNKYQSSA-N	211.217	-0.592	50	10	BBGE	
CO[C@H]1CCC[C@H](n2ccc(B(O)O)n2)C1	694274829	DVEUMQVKBZVCSL-IUCAKERBSA-N	224.069	-0.307	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](CCF)C1	700560108	IBNMCCIQBVJHQJ-QMMMGPOBSA-N	219.260	-0.573	50	10	BBGE	
COC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703421083	BCTBCLUPIGQFOX-WDSKDSINSA-N	213.189	-0.924	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710473951	ATJLQATZZODGCB-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
CO[C@](C)(CCl)CNCCn1cnnn1	712593086	HODLISDZPRWEAE-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](F)[C@@H](F)C1	714558490	NVDYQTYBCICYJV-XAMCCFCMSA-N	221.251	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C(C)(C)O)C1	719666342	IWODYMKBNHRWEC-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCS[C@@H](CCO)C1	720090603	ONLPMNGUIOLROD-VIFPVBQESA-N	247.364	-0.444	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2OCC[C@@H]2C1	724815887	IKZXGFOYIYPYBU-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1CO	725628183	LGPPKANRAXTVGM-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
COC[C@@H](OC)C(=O)NNC(=O)c1ccoc1	824703105	XCSWBUBZAGUJCK-MRVPVSSYSA-N	242.231	-0.298	50	10	BBGE	
Cn1nncc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	844613224	YXPMQMYATXEUIG-OPRDCNLKSA-N	249.274	-0.167	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@@H]2C[C@H]21	857171587	YSNGFRABBBKNCY-BWZBUEFSSA-N	212.249	-0.438	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CC(=O)N1	862500429	QXPBNJFMDFIUAW-MRVPVSSYSA-N	220.232	-0.856	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)CCN(C)C	1292011954	WGXFMYWKGSJOSS-SSDOTTSWSA-N	216.285	-0.466	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1cnsn1	1303455317	APLQARSUPVPKKW-SZKDQXIBSA-N	242.260	-0.764	50	10	BBGE	
CC(C)NC(=O)C(=O)NN=Cc1nccn1C	1318248124	JAGOEDGMFTXRCB-UHFFFAOYSA-N	237.263	-0.605	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@H]1CCNC1=O	1333088705	AUCHUTFRTHBQRJ-SSDOTTSWSA-N	242.279	-0.749	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cnnc(O)c1	1447548803	DULDEKJPKHBXJV-UHFFFAOYSA-N	231.215	-0.244	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/[C@H]1CCOC1	1543664316	MPMWMJZIKBSRRF-AIYRYJHASA-N	213.237	-0.461	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)[C@H]1CCCO1	1625268678	QHMBEFDCMVTNSH-SECBINFHSA-N	222.244	-0.274	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2ncon2)CCCO1	1627100249	XDQDGPBFVOWGKB-VIFPVBQESA-N	240.219	-0.600	50	10	BBGE	
O=C(NC[C@H](O)CO)[C@@H]1C[C@@H]1Br	1877347950	SLUIBFJRBJYPPR-JKUQZMGJSA-N	238.081	-0.761	50	10	BBGE	
NNC(=O)CCCCSC1CNC1	1882110314	IKGOLKNEERBTJC-UHFFFAOYSA-N	203.311	-0.148	50	10	BBGE	
NC(=O)NNC(=O)c1nnc(Cl)s1	1882495186	INCZNXDEXPEVGK-UHFFFAOYSA-N	221.629	-0.495	50	10	BBGE	
COC(=O)NS(=O)(=O)NOCCCl	1883019448	YURZQCLYTILIEB-UHFFFAOYSA-N	232.645	-0.653	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883645547	PTHIZCVTXADXGG-ZTYPAOSTSA-N	207.657	-0.528	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@H](N)CS(C)(=O)=O	1886387865	RJSAMGARAXWZDB-UHNVWZDZSA-N	213.686	-0.445	50	10	BBGE	
O=S1(=O)C[C@H]2CN(CCCl)C[C@H]21	1887049211	CFZUCPSVPZIAGU-RNFRBKRXSA-N	209.698	-0.046	50	10	BBGE	
CN(C)S(=O)(=O)CCCNC(=O)CCl	1890828769	CTPDEMVPVWCUQK-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H]1Cl	1893470211	QKEPPSXUPQDPKW-DKXJUACHSA-N	218.684	-0.466	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)C=CC(=O)Cl)C[C@H]1O	1897219453	NDXBMBMRCMDPKC-HTQZYQBOSA-N	246.694	-0.559	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1897225420	AGRUDHLXJXWBSI-RIAPOHOLSA-N	247.678	-0.084	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1ncc(B(O)O)s1	1898047511	GDFBVALXNPPBEL-VHWMUFPASA-N	244.056	-0.491	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cnsc1B(O)O	1900466884	MWDGSZHOZMRBER-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H]1C(N)=O	1901763798	MWSQSJUELAMRGG-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]3CC[C@@H]32)n1	1902639604	SIMCMNTVSNIFBB-YUMQZZPRSA-N	238.121	-0.193	50	10	BBGE	
CCCN1CCN([C@H](C)CC(=O)NN)C(=O)C1	1906994368	WMSXHGOYMCSSKN-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC1(C(N)=O)CN(CCCCCC(=O)NN)C1	1914182856	NYOGLSIGBMECDD-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CC(C)(C)C(=O)NN	1914259040	ZGHXXEPALPZTBI-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)C[C@H]1C#N	1914870759	AANXNARWDNIGGS-SNVBAGLBSA-N	239.323	-0.714	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C1COC1	1915658126	NPMVANGNOZKLQP-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1927910219	DRCMODKLNQCBMG-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
O=C(Cn1cnnn1)NCCCCCl	1928696523	ONYFLDSTZPPDSC-UHFFFAOYSA-N	217.660	-0.192	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCC[S@](C)=O)C1	1928750606	HWEWSXJCVFZRSA-UPFKWVMWSA-N	224.757	-0.124	50	10	BBGE	
C[C@@H]1CCOCCN1CCC(=O)NN	1929660123	WKCUVJVJKNIMNH-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H](O)CC1	1936094013	JNYDWSYVYWJTQR-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)COCCN(CC(F)F)C1CC1	1936527403	AVQPPZNBKBVHJP-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
CN(C(=O)Cn1ccnn1)[C@H]1COC[C@@H]1Cl	1937146597	OSPDWMWUKHWMOQ-YUMQZZPRSA-N	244.682	-0.257	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN(C2CC2)CC1	1940886053	BDGIQUMJHKORAW-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941092109	GIQOMCUYNBLRTE-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1c(C)cnn1C	1945336970	JNAUSJMUTVBNJT-SECBINFHSA-N	239.323	-0.071	50	10	BBGE	
CN(C)C1CCN(CC2(C(=O)NN)CC2)CC1	1945882498	JANYJJIPLKTPGF-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H]2C(N)=O)CC1	1945883299	XATOXQHVCNZGJH-QMMMGPOBSA-N	240.307	-0.904	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](CF)C1	1956917034	DHTQJPCLAIKMFY-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)CC(F)(F)C(=O)NN	1957007581	VVRZYVMQRMEXNN-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1957069603	KVEBFNQWUAURIZ-JAGXHNFQSA-N	219.668	-0.432	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)C(F)(F)F	1957164101	CMUAZEUSWUPMPY-GSVOUGTGSA-N	213.159	-0.567	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](O)C(C)C	1960661977	AXYLDTFRMAZOIO-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
CN1CCN(C(=O)NN)c2cnccc21	1961458339	WZOQMFAPIYTGHJ-UHFFFAOYSA-N	207.237	-0.079	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1978185823	YCFDDXGQZHNSMT-UTLUCORTSA-N	227.308	-0.541	50	10	BBGE	
CO[C@@H](CCCl)CNC(=O)Cn1cnnn1	1980263506	WYXDMYBYRNOVQX-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
Cc1cnc(O[C@@H]2CCOC2)c(B(O)O)c1	1981424051	NDXWBQYOPQOCMP-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
CN(CCCF)c1ncc(B(O)O)cc1F	1981468347	AJDMZCHSKTYMFA-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H](O)C[C@H]21)C(=O)NN	1984031110	MJQZWPMHSJAAJS-DJLDLDEBSA-N	227.308	-0.542	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)CC1	1984128914	WMOLDPGDEGQEIK-UHFFFAOYSA-N	236.266	-0.751	50	10	BBGE	
COC[C@H]1CC[C@H](CN(C)CC(=O)NN)C1	1985397004	MYWHONJJEXSYFI-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
Cc1nn(C)c(C)c1CN(C)CC(=O)NN	1987623575	SPAJWYAHTSDTGJ-UHFFFAOYSA-N	225.296	-0.541	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(CNC(=O)N2)C1	1991654791	OJRWCKOZJUAPON-UHFFFAOYSA-N	243.650	-0.798	50	10	BBGE	
NC(=O)C[C@@H](NC(=O)C1CC(Cl)C1)C(=O)O	1991693136	ICPXTDGYOXZKCW-JMMWHDCWSA-N	248.666	-0.551	50	10	BBGE	
O=C(C1CC(Cl)C1)N1CC(CO)(C(=O)O)C1	1991698733	SNPPDSPJJLATOS-UHFFFAOYSA-N	247.678	-0.091	50	10	BBGE	
C=C(CN1C[C@H]2CCCN2C[C@H]1C)B(O)O	1992154145	VJDJELQFHJIUEO-GHMZBOCLSA-N	224.113	-0.277	50	10	BBGE	
C=C(CN1CCCN(CC)C[C@H]1C)B(O)O	1992167144	FJHMNMMFIVINJT-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
Cc1nn(CC2(C)COC2)c(C)c1B(O)O	1992288878	NRBIVJGXASCHQI-UHFFFAOYSA-N	224.069	-0.784	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](c2cnn(C)c2)C1	2004400213	XFWXBXKLGVROAJ-RKDXNWHRSA-N	237.307	-0.412	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1c1ncncc1B(O)O	2004911297	FGAZHHKTDHNWDH-DTORHVGOSA-N	235.096	-0.076	50	10	BBGE	
OB(O)c1cnc(N2CC(C3CCC3)C2)nc1	2004918196	IRJCESUHTCGDCL-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
Cc1ccnc(O[C@H]2CO[C@@H](C)C2)c1B(O)O	2004929377	KJSMGXNQEMZANQ-DTWKUNHWSA-N	237.064	-0.374	50	10	BBGE	
Cc1nc(N2C[C@H](C)C[C@H]2C)ncc1B(O)O	2004973814	ANRWRGIJPOVEMJ-HTQZYQBOSA-N	235.096	-0.300	50	10	BBGE	
Cc1nc(N(C)CC2CCC2)ncc1B(O)O	2004973931	CCEMWSISJRYOHL-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2005116245	IEJBHSUWDDESGA-JDUUOCRZSA-N	241.335	-0.296	50	10	BBGE	
CC[C@H](C)Cn1cnc2c(B(O)O)ncnc21	2007065027	QHKMVIDSGAAOHP-ZETCQYMHSA-N	234.068	-0.448	50	10	BBGE	
CC1(CF)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	2008691373	DYDKBOHVVVSPIJ-BDAKNGLRSA-N	245.298	-0.185	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H]1CC(N)=O	2011913224	SIKAVMZRFVOFHZ-BDAKNGLRSA-N	242.323	-0.515	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CC[C@H]3C2)nc1	2014769789	MAHQZKHNPMKSRF-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](N)CCC1(C)C	2018015755	LMABSNVTZZQFES-VIFPVBQESA-N	242.323	-0.645	50	10	BBGE	
C=CC1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	2018851956	SLPXUKCDERSWPO-UWVGGRQHSA-N	239.319	-0.375	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1cccc(B(O)O)c1	2020035401	XGDQXGFKDNNXLN-SECBINFHSA-N	231.060	-0.036	50	10	BBGE	
COC[C@@H](C)COc1ncc(C)cc1B(O)O	2026074318	LWQPPWYFNBYYMY-SECBINFHSA-N	239.080	-0.269	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CCCN[C@@H]32)CC1	2033608879	TWXKXZPNQKJTJL-AXFHLTTASA-N	249.314	-0.139	50	10	BBGE	
OB(O)c1ccc(N2CCN3CCC2CC3)nc1	2052474125	YXNSBOIUWSNVKX-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
CN(Cc1cnccn1)c1ccncc1B(O)O	2052495088	VYTLLZDHMVHCBO-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
COc1cccc(Oc2ncc(B(O)O)cn2)c1	2052520485	HUOMABBHVQAMER-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)c1ncnc(C)c1B(O)O	2052556286	LPALGOFWYKZHJD-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2[C@@H](C)[C@H]2C)n1	2052626863	GLOOCFMTXYPQEV-MBTKJCJQSA-N	249.123	-0.197	50	10	BBGE	
CCc1cc(OC)c([N+](=O)[O-])c(B(O)O)c1	2060066295	RIWPFFOMVOWNAI-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(F)c1B(O)O	2060129618	PUHNIJMEAFPTHX-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCc1cc(B(O)O)cc(C=O)c1OC	2060159852	YDQLHPKGUIITEJ-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
Cc1nc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)ncc1B(O)O	2086990728	OCYXLBMRDPIXCB-LNRQSERFSA-N	246.075	-0.502	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@]3(C)C2)n1	2087041927	ORMZIJDOTHJZIE-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
CC[C@@H](COC)C(=O)N1CC[C@@H](B(O)O)C1	2208731295	CZABUFZAOQWFLQ-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
O=c1ccccn1Cc1ccc(B(O)O)s1	2211072661	OZOJBLQNPMSBRY-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
NOCCCSCc1cccc(B(O)O)c1	2211134165	KGABIOCPLDQORG-UHFFFAOYSA-N	241.121	-0.120	50	10	BBGE	
CSCCCCN=c1cc(B(O)O)cc[nH]1	2212601963	WPJNLUCSKLLVMC-UHFFFAOYSA-N	240.137	-0.262	50	10	BBGE	
CS[C@H](C)CCOc1ncc(B(O)O)cn1	2212607826	DMXYQXDIXIPPPN-SSDOTTSWSA-N	242.109	-0.323	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1O	2214600609	VGQBDYRIZFNKTN-JOYOIKCWSA-N	235.092	-0.821	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COCC[C@@H]32)CCC1	2216528776	UFSVGRZMOBRYDQ-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
NC[C@H]1CCC[C@H]1Oc1ccc(B(O)O)cn1	2217167214	MHUJYJNAIXUANH-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](O)C[C@H](C)CNc1ncccc1B(O)O	2217171564	CCYCYJPZSMQYKV-IUCAKERBSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCN2)cc1B(O)O	2217178666	ACKDRWGMDDKIAH-VIFPVBQESA-N	235.096	-0.766	50	10	BBGE	
COCC1(Nc2cc(B(O)O)c(C)cn2)CC1	2217183136	GCYZIWSUIDPKSQ-UHFFFAOYSA-N	236.080	-0.339	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H](CN)C2)cc1B(O)O	2217184849	RMPJQEPELAZVRD-KYZUINATSA-N	235.096	-0.781	50	10	BBGE	
CC1(C)C[C@@H](N)[C@@H]1Oc1cc(B(O)O)ccn1	2217186814	PJVSHCUDMJPUJT-SCZZXKLOSA-N	236.080	-0.734	50	10	BBGE	
CCOC(=O)[C@H](C)Nc1cc(B(O)O)ccn1	2217201420	PLOQESHZMMLKSD-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
CC(C)[C@H](O)CN(C)c1ccc(B(O)O)cn1	2217201605	DWMYGBHMERVOEY-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCOC[C@@H]2C3)c1	2217201823	RVVDGTDUVYWYJV-GZMMTYOYSA-N	234.064	-0.648	50	10	BBGE	
CCC[C@](C)(O)CNc1ncc(B(O)O)cn1	2217202219	VHLJZOMYTRJLLL-JTQLQIEISA-N	239.084	-0.881	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1Cc1cccc(B(O)O)c1	2220053614	IQLJRRUKDAHYBG-ZYHUDNBSSA-N	249.119	-0.431	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2ccno2)c1	2222245307	XGGYXRLTAINIDM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC[C@@H](C)N1CC(Nc2cc(B(O)O)ccn2)C1	2223635499	XXGKRGNXZCGZJZ-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
C#CCN(CC1CC1)c1nccc(B(O)O)c1F	2223644969	QACJJABQIIHEMY-UHFFFAOYSA-N	248.066	-0.250	50	10	BBGE	
Cc1cnc(N2CCC[C@@H](N)[C@@H]2C)cc1B(O)O	2223652413	JBJMNJIDDCJGRJ-GXSJLCMTSA-N	249.123	-0.614	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CNC3(CCC3)C2)nc1	2223669371	IXSLUZATLGCNHF-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
O=C(C#CB(O)O)NCCOCc1ccccc1	2241471951	NVPGLRWPBJCAQQ-UHFFFAOYSA-N	247.059	-0.665	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)C#CB(O)O	2243356284	FEGKGVAYADOMRS-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1C[C@@H]1CCCN(C)C(=O)C#CB(O)O	2243357542	YFTYBGDDKKOZKI-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
CS[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243362687	VATOJVUTPDZSGM-ZCFIWIBFSA-N	242.109	-0.824	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCCO1	2243363464	HBFFATYVRIRHDG-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
Cc1cc(C(=O)N2CCC2=O)c(B(O)O)s1	2243378318	QRAKXTCSGMZFSE-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NCCCF)s1	2243380972	BGNGFPDWFNPAIL-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCN1	2243381626	HIRHFETVSVKDKI-QXFUBDJGSA-N	226.085	-0.892	50	10	BBGE	
C#CCN(CC(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2243391121	GPUOOTIJQLWCHH-VHSXEESVSA-N	223.081	-0.033	50	10	BBGE	
O=C(NCCNC1CC1)[C@H]1C[C@H](B(O)O)C1	2243392153	RTKSGXFUUUNZDC-ZKCHVHJHSA-N	226.085	-0.892	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397030	UOAUCAWCRZRUHR-OYNCUSHFSA-N	227.069	-0.513	50	10	BBGE	
O=C(NC1CCNCC1)[C@H]1C[C@@H](B(O)O)C1	2243405026	YIYAQXMZITYVIV-OCAPTIKFSA-N	226.085	-0.892	50	10	BBGE	
C[C@@]1(CO)CCN(C(=O)C2(B(O)O)CC2)C1	2243409868	QEXWDYPNTXFEGB-SECBINFHSA-N	227.069	-0.776	50	10	BBGE	
C=CCCC(=O)Nc1cc(B(O)O)ccn1	2243687622	YZNUEGLWAQECRL-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1cocc1B(O)O	2244214555	UOEGXWGWBFCELO-XRGYYRRGSA-N	243.455	-0.684	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cocc1B(O)O	2244216216	JCVVYWNYNXJEIB-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
Cc1ccoc1C(=O)NCCC#CB(O)O	2244548002	JCWHTSGYCFTWAV-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
C#CC1(NS(=O)(=O)CC(=C)B(O)O)CCC1	2244939617	QTYPMQDOMZHGBL-UHFFFAOYSA-N	243.093	-0.970	50	10	BBGE	
Cc1cc(C(=O)NCCCF)ccc1B(O)O	2247752221	LABAZRIOQLYZID-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
CN(CCF)C(=O)c1ccc(B(O)O)cc1F	2247753006	ZZHKWZWVKBYZGR-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@@H]1O)C1(B(O)O)CC1	2247758055	SHHWQLWYZKDOPS-IUCAKERBSA-N	241.096	-0.197	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)C1(B(O)O)CCC1	2247759211	ZSQBAONXEXSCLR-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccc(F)cc1B(O)O	2247759322	OSXIUEZOMFYQTB-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
CC1(CO)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247805794	LBEDIFLSDMDQRT-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)C12CCC2	2247810693	ZJDNOFFCNDKDCU-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
COCCN(C(=O)C#CB(O)O)C1CCCC1	2247846321	DPTOWMSCSXWBQQ-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@@H](CO1)C2	2247850202	LIYGDZBLAXIEHU-KOLCDFICSA-N	237.064	-0.923	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)NC	2247879229	RRCZPMRCMCJMFN-ZETCQYMHSA-N	242.084	-0.976	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](C1)C2O	2247893264	OWFVQWHUHHMVMJ-ALPUWHEMSA-N	239.080	-0.921	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2247899279	MALJOPLIJQBCBX-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CN(C)C(=O)C1(B(O)O)CCC1)C(=O)O	2248573410	DNQFHZNMXYOBOI-SSDOTTSWSA-N	243.068	-0.437	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248575588	BUQFPEXCQOOTBJ-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248589693	SYUWLHMFJDBHOS-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
O=C1CCC[C@@H](CN2CCC(B(O)O)CC2)N1	2249344578	APDNFIMASGEDDZ-JTQLQIEISA-N	240.112	-0.406	50	10	BBGE	
C[C@H]1COC[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249347689	SWKBYWPPXVYIMY-WPRPVWTQSA-N	241.096	-0.266	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]1C(F)(F)F	2249999245	SZZZMSLYCLANRO-RNFRBKRXSA-N	248.997	-0.294	50	10	BBGE	
COc1ccc(B(O)O)c(OC2C[C@H]3C[C@@H]3C2)n1	2254706974	QTEXFGSPQGFLSB-HTQZYQBOSA-N	249.075	-0.053	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1coc(B(O)O)c1	2255457971	LJBZRRHEVANGHJ-JZYVYDRUSA-N	249.075	-0.122	50	10	BBGE	
C=C(C)CONC(=O)c1cc(C)cc(B(O)O)c1	2255511846	PWQVRXWTJJDJKQ-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2255516262	JRUWARHRZSUTTO-KWQFWETISA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1n[nH]cc1B(O)O	2255546406	FDIMZXNHUWGYBC-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCCc1cnccn1)[C@H]1C[C@@H](B(O)O)C1	2255556065	KGWLMMKFXIIUBB-DTORHVGOSA-N	249.079	-0.612	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1cncc(B(O)O)c1)C2	2255734471	BILLWQIWQQQUQK-CABZTGNLSA-N	246.075	-0.757	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)NC1[C@@H]2CC[C@@H]12	2255893188	OOMYMUNSGWNQTF-NXEZZACHSA-N	246.075	-0.104	50	10	BBGE	
CC[C@@H](NC(=O)c1nccnc1B(O)O)C1CC1	2256055871	PNPQTSQPXTZQET-MRVPVSSYSA-N	249.079	-0.925	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2nccnc2B(O)O)C1	2256059234	PJKDSHGHPQSEER-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H]1B(O)O	2298369213	MRKALPWWGDESSX-XSPKLOCKSA-N	237.064	-0.366	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298369812	GLSJMQRVMAFHPA-VVULQXIFSA-N	239.080	-0.515	50	10	BBGE	
N[C@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370027	LWRGVZPKKZDQKV-AEJSXWLSSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1OCC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375274	CMGZEIGZONTBEO-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376367	UCSIDXZIWGDQAH-KXUCPTDWSA-N	242.128	-0.448	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C(=O)O	2298463536	JHOKJJKIJVJVLA-FKSUSPILSA-N	241.052	-0.829	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)CCC(N)=O	2300398540	BNSCJPLIBTUGOA-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
COCCOCC(=O)N1CC[C@](C)(B(O)O)C1	2303115768	WWAFSNAJPORKSZ-JTQLQIEISA-N	245.084	-0.885	50	10	BBGE	
Cc1nn(-c2ccc(B(O)O)cn2)c(C)c1F	2303298781	QADYZOQVUMMCHW-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1coc(B(O)O)c1	2312857221	ARWKULDQZRFIIC-HGNGGELXSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1ccc(B(O)O)cn1	2316955778	MCMNULRGBNCZHZ-YUMQZZPRSA-N	248.091	-0.464	50	10	BBGE	
CCN(C=C(C#N)C(=O)NCCOC)CCO	2324627082	LWFHSYLBDUMWHZ-UHFFFAOYSA-N	241.291	-0.529	50	10	BBGE	
O=C(Cl)CCS(=O)(=O)N1CCOCC1	11593621	PACSHQKAPOKOJX-UHFFFAOYSA-N	241.696	-0.196	50	10	BBGE	
O=C=N[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	19732411	YAZYJQMZAJIFHB-HTQZYQBOSA-N	244.272	-0.890	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H](C)C(=O)O	61218911	RXFUCXVXVZXLPW-ZETCQYMHSA-N	245.279	-0.804	50	10	BBGE	
NNC(=O)c1c2c(n[nH]c1=O)CCCC2	77060359	MMIZVCNNFLKGKM-UHFFFAOYSA-N	208.221	-0.748	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H]1C(N)=O	82466642	MGTJBLMZEVJDTR-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
CN(C)Cc1csc(C(=O)NN)n1	82466647	ZUNLHZWYRMLUJE-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nccc(=O)[nH]1	82472233	ORCYBWDRUOTOOV-YFKPBYRVSA-N	228.277	-0.370	50	10	BBGE	
NCCSC[C@H]1CC[C@H](C(=O)NN)O1	82473009	JLKOLBOHTVNXQM-RNFRBKRXSA-N	219.310	-0.784	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NCCO	86550497	OHWSUEODZSVHGI-ZCFIWIBFSA-N	215.702	-0.227	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C	134004225	URMYWHDLDAIONW-RITPCOANSA-N	200.238	-0.064	50	10	BBGE	
O=C(NCCOCCO)C(Cl)Cl	169917665	UAYSNWSTUGJXDZ-UHFFFAOYSA-N	216.064	-0.085	50	10	BBGE	
COCCCNC(=O)C(=O)NCCCl	170338582	AEHDOFLSRREUQJ-UHFFFAOYSA-N	222.672	-0.506	50	10	BBGE	
OB(O)c1ccccc1OCC1OCCO1	196315653	LFXMJALOJGOUEM-UHFFFAOYSA-N	224.021	-0.882	50	10	BBGE	
C[C@H](NC(=O)CCl)P(=O)(O)O	197002469	WLNZLLXWXUEJOH-GSVOUGTGSA-N	201.546	-0.135	50	10	BBGE	
COC[C@H](SC[C@H](C)N)C(=O)NN	232421689	JJGSTCXOGKFTIA-WDSKDSINSA-N	207.299	-0.928	50	10	BBGE	
COC1(CC(=O)NNC(N)=S)CCC1	234592088	OICUZUJGIZCFOI-UHFFFAOYSA-N	217.294	-0.190	50	10	BBGE	
OB(O)c1nc(Br)cs1	238638598	PFLQDLBLIQEPKR-UHFFFAOYSA-N	207.845	-0.415	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	251322141	MBJDWWRZXRQUPB-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	251689931	WMBJVTCHNUPDHG-OPRDCNLKSA-N	240.307	-0.242	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCCN1C)C(=O)NN	252571905	BZKDQTJYGRPZPC-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	300047536	KMECKTVTWYJIBH-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccc(O)c(Br)c1F	306305667	LSMHLICIABKOSN-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cn(C)nn1	309155824	ZHTJCHCAOMJLKQ-RXMQYKEDSA-N	246.654	-0.675	50	10	BBGE	
COC(=O)NNC(=O)CCNCC(F)(F)F	309579933	QCATUCBHRRMHIF-UHFFFAOYSA-N	243.185	-0.084	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](O)CC1	378791638	NWFRZQDAGIFFTR-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
NC[C@@H](CCl)S(=O)(=O)[C@H](CN)CCl	379353461	FLOJIQRDVGSGFK-OLQVQODUSA-N	249.163	-0.467	50	10	BBGE	
N=c1ccc(C=NNC(=O)CCO)c[nH]1	380177255	FNEVHNUNMXVEFC-UHFFFAOYSA-N	208.221	-0.673	50	10	BBGE	
CC[C@H](O)CN=c1[nH]c(CCCl)nc(=N)[nH]1	381010488	SEDDRTDDVRXIOU-LURJTMIESA-N	245.714	-0.330	50	10	BBGE	
O=S(=O)(CCCl)NCCn1cnnc1	381931488	RHBOQNOFXWLEHO-UHFFFAOYSA-N	238.700	-0.564	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)C(C)(C)C1	388201566	SFWCNXMOBGRWOR-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cccc(B(O)O)c1O	396025635	UMIJXDXJMXMLKI-MRVPVSSYSA-N	228.440	-0.059	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(B(O)O)cc1CO	396043642	VYLAXUCSTGVXSP-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(CC#N)c1	396138278	OKLYLDATOFRKFH-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	405003417	PCXJZKZCLDVVFT-JGVFFNPUSA-N	219.049	-0.039	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)[C@@H](C)O1	585066441	LWJPCJGQGJJXMN-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2COC[C@H]2C1	690710885	IBFWABCPRCKYOT-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H](N)CSCc1nsc(C(=O)NN)n1	724325304	VGMKDBHDCGMVOH-SCSAIBSYSA-N	247.349	-0.278	50	10	BBGE	
O=C(CO)NNC(=O)Cc1cccc(O)c1	777781798	KEIRBDCUYOBFLP-UHFFFAOYSA-N	224.216	-0.926	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	854984468	CMMMZABBRRIOHH-BQBZGAKWSA-N	230.289	-0.424	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)[C@H]1COCCO1	866255003	GFVVSLQIJDCIDN-LSFDQVSLSA-N	246.238	-0.187	50	10	BBGE	
N#Cc1cnnc(N2CC[C@@H](B(O)O)C2)c1	1120101578	GYXFICVKHPOLNY-MRVPVSSYSA-N	218.025	-0.599	50	10	BBGE	
CNC(=S)N(C)NC(=O)C[C@@H]1COC(=O)C1	1468751405	SPANIWGYZKRUPT-LURJTMIESA-N	245.304	-0.593	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnnc(O)c1	1631557496	KIWDDANWXUQZPE-UHFFFAOYSA-N	239.235	-0.465	50	10	BBGE	
O=C(NCCN1CC[C@H](O)C1)C(Cl)Cl	1865988386	HHAMGRZDBVTZNN-LURJTMIESA-N	241.118	-0.027	50	10	BBGE	
O=C(F)N1CCN[C@@H]2CS(=O)(=O)C[C@H]21	1887185612	AMUHVYFWFRLYGM-PHDIDXHHSA-N	222.241	-0.853	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CCO	1889185321	KSQLHESGQVCWEW-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H]2[C@H](C(N)=O)[C@@H]2C1	1900616355	MBOITVMQXIXKNV-OOJXKGFFSA-N	213.668	-0.220	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1900686907	RAWUCSONYQGNNQ-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
O=C(CCOC1CC1)N1CC[C@@H](B(O)O)C1	1902513136	QEQLEOVLEYWREX-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](CO)C1)C(=O)NN	1902707601	CQYDWBQJOFVQAF-MWLCHTKSSA-N	229.324	-0.293	50	10	BBGE	
C[C@]1(CCO)CCN1CCC(=O)NN	1904865739	RCOWHFKVQKKOIH-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
COC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1907421602	DDLKKWOQDFEYQO-XWLWVQCSSA-N	241.335	-0.173	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C[C@]1(C)OC	1911049780	POOGNXNCSDRFLN-NGZCFLSTSA-N	245.323	-0.509	50	10	BBGE	
Cc1cc(=O)n(C[C@H](C)C(=O)NN)c(C)n1	1912236571	AAMSJLPBYJZWQO-LURJTMIESA-N	224.264	-0.514	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CC=CC1	1913622363	WTJKEMGSACSMJW-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)C12CCC2	1914395618	FPBUKQNPUTVFNJ-AEJSXWLSSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)C12CCC2	1914396904	SORLURIDNJTIHR-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC1(Cl)Cl	1923801437	GENKVQNORATFSU-GSVOUGTGSA-N	211.841	-0.692	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)CC2(CC2)C1	1926434415	PIRMRLLSESSNKX-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CC1(F)CCN(C(=O)C(=O)NN)CC1	1932098890	CQZVMDYCASSTJC-UHFFFAOYSA-N	203.217	-0.673	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@H](F)C1	1936025289	AJNMPPASNWCYNW-RITPCOANSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSC[C@@H]1CO	1936093610	FZZBGONGUVQPOD-XHNCKOQMSA-N	245.348	-0.978	50	10	BBGE	
CN(CCCCCO)C[C@H]1C[C@@H]1C(=O)NN	1936095684	ZWEVEOQSVWFZKF-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1csnn1	1937711377	UOROPXMVYYAALV-QMMMGPOBSA-N	243.336	-0.016	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)CCO1	1938247366	RWNKTAYALXWRFD-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@]1(C#N)CCN(CC2(C(=O)NN)CC2)C1	1938249211	REBWHNCBEOLQHP-JTQLQIEISA-N	222.292	-0.008	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(C(N)=O)CCN(C)CC1	1939286293	KJNKNNWVHLBIOF-SSDOTTSWSA-N	247.726	-0.320	50	10	BBGE	
CCN1CC[C@@H](N(C)CCOCC(=O)NN)C1	1941772857	OOPBZJQXZFBTHY-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC1(C)COC[C@@H](CN2CC(=O)OC(=O)C2)O1	1941908622	IIAWILFZCRRIQV-MRVPVSSYSA-N	243.259	-0.434	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2OCCO[C@H]2C1	1944743840	ILIKMPJOYDMAKH-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)[C@@H]1CCOC1	1946755994	YOBHVUFADCKGKM-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1C[C@H](O)CCl	1956256569	QGLGXJPWOOBYMG-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
CC[C@H](C)N(C)c1ncncc1B(O)O	1961689501	AADPEUFWQDVNTR-ZETCQYMHSA-N	209.058	-0.609	50	10	BBGE	
Cc1ncc(C(=O)N2CC[C@H](B(O)O)C2)n1C	1964509786	FDMCCLGXZSEQDS-QMMMGPOBSA-N	237.068	-0.583	50	10	BBGE	
CCc1nc(C)cn2cc(B(O)O)cc12	1974580710	ACCMLSBHKSPRJO-UHFFFAOYSA-N	204.038	-0.115	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1976629656	PWRXAORJYIBDBH-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
CN(C)C[C@H]1CCN1CC1(C(=O)NN)CC1	1976934669	VCJMJQRPINSMJA-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCn2ccnc2C1	1978922176	IMMCNQLKHQTZGB-LURJTMIESA-N	239.304	-0.690	50	10	BBGE	
Cn1nnnc1CNCC[C@H]1COC[C@H]1Cl	1979873788	AUXVRLVWSUUCKZ-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)OCCl)C[C@@H]12	1981053247	GRIHHVSDTWVJCM-YFKPBYRVSA-N	247.638	-0.445	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	1981053804	OEFKKBRJKLVFAD-RITPCOANSA-N	245.666	-0.624	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCCC[C@@H]1O	1981407359	ODUKDZSBUCHHEF-SFYZADRCSA-N	229.280	-0.872	50	10	BBGE	
CCOCCOc1nc(C)ccc1B(O)O	1981417432	AGRLHZNEICFHOA-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](CF)C1	1981425016	BJMGLYBRXZZDTE-QMMMGPOBSA-N	224.044	-0.443	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]3C2)c(B(O)O)c1	1981468734	HQWNLMZMPDUJPZ-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(F)(F)C1=O	1985702728	OZQJBOMHTJQGCX-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
Oc1nc(C2CN(C[C@@H](O)CCl)C2)c(O)[nH]1	1986666325	UEMTZFKPLGCBDW-LURJTMIESA-N	247.682	-0.180	50	10	BBGE	
CC(C)N(C)CCCn1cc(B(O)O)cn1	1987031817	HWWYCCKUDJOFSU-UHFFFAOYSA-N	225.101	-0.707	50	10	BBGE	
CN(C(=O)NN)C1C[C@@H]2CC[C@H](C1)S2(=O)=O	1987075925	NJYCGPOYENFHAB-IEESLHIDSA-N	247.320	-0.390	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@H]3CC[C@@H]3C2)n1	1988174283	BKGDLTKKTBCTSJ-OWUUHHOZSA-N	220.081	-0.001	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@H]2CC[C@H]21	1988712754	YHFDFCQRARMUED-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@H](F)C1	1990773806	ADKDFLNAOQUGOA-VXNVDRBHSA-N	231.271	-0.166	50	10	BBGE	
NNC(=O)CCCO[C@@H]1CN2CCC1CC2	1992113309	JBVLLVKGDXUCCT-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C=C(CN1CCN2CCCC[C@H]1C2)B(O)O	1992146077	PZSVSLQSJSNUKL-NSHDSACASA-N	224.113	-0.275	50	10	BBGE	
C=C(CN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1)B(O)O	1992391585	BXYOZXOGPMAMCK-UKKRHICBSA-N	223.081	-0.051	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)CCOCC(=O)NN	1995036016	IJBGFGVMEQFUDG-SCZZXKLOSA-N	233.287	-0.327	50	10	BBGE	
CCc1nn(C[C@H]2CCO2)c(CC)c1B(O)O	1998270593	MTUQCRIMAUHKMC-MRVPVSSYSA-N	238.096	-0.523	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)OCC1(C)C	2002291746	XLLBLWRXXYOUCV-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1nn(C)cc1C(=O)NN	2003505450	BKDVUNYACQIJHG-ZCFIWIBFSA-N	237.263	-0.856	50	10	BBGE	
CCC[C@H]1CCN1c1ncnc(C)c1B(O)O	2004972893	MNJSXXMFUYJJCU-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2[C@H](CO)C[C@H]2C1	2005990726	KAMLONGPYSEUNZ-QHZLYTNSSA-N	241.335	-0.439	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	2009520139	IRJJFQBVECDPSR-RKDXNWHRSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1ncn(C[C@H]2CC[C@H](C(=O)NN)C2)n1	2010832920	MLDZBGRONYSMKJ-YUMQZZPRSA-N	234.263	-0.444	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(C1)CC(C)(O)C2	2011901064	RYVNDULTDWTLLR-BDAKNGLRSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1C[C@H](n2cncn2)C1	2012099849	PFVAXQQHMTYPST-IZLXSQMJSA-N	247.205	-0.419	50	10	BBGE	
NNC(=O)CCCOC1CC(n2cnnc2)C1	2012100060	RFOJZGSSNNHCBF-UHFFFAOYSA-N	239.279	-0.232	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC(O)C[C@@H]2C1	2012903602	RYOPZJROVBZIAE-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CO)C23CC3)CC1	2016081556	VVODOYGWEHUFTB-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](OC(C)C)C1	2019212661	SWECELRUEQSIQY-JTQLQIEISA-N	243.307	-0.347	50	10	BBGE	
CCc1onc(C)c1C(=O)NCC=CB(O)O	2020061231	FKUWMRAFHJQBMM-UHFFFAOYSA-N	238.052	-0.157	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C(F)(F)C12CCC2	2021157380	LHRHXAWLZFVAQM-ZETCQYMHSA-N	243.018	-0.447	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1nc(C)ncc1B(O)O)C2	2052627404	LFCPDQCBBGITRL-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CCc2c(B(O)O)cccc21	2055635021	ZOKVGEPWOOZJKP-PSASIEDQSA-N	249.050	-0.387	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])cc(Cl)c1B(O)O	2060134020	PANCXHVQDXJRDJ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
C[C@H](CN(C)[C@H]1C[C@@H](O)C1)C(=O)NN	2209400520	NZSCFLIOKAGJML-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC#CCCO	2209514834	QHPIPVVGOCCKIW-SNAWJCMRSA-N	215.636	-0.190	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1ccc(B(O)O)cn1	2211060232	UZJYKQKLULODEY-XVKPBYJWSA-N	225.028	-0.112	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C[C@H](C)CO)C1	2212363224	SGZFQIMNCLUNDJ-WCBMZHEXSA-N	229.324	-0.295	50	10	BBGE	
C#C[C@](C)(CC)Oc1ccc(B(O)O)cn1	2212605378	CPSVKVKVTPAUFR-LLVKDONJSA-N	219.049	-0.058	50	10	BBGE	
C[C@@H](CCCN)Oc1ccc(B(O)O)cn1	2212609613	UNGNTAAMDORXCO-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)CCC12CC2	2214748676	FECMYQGXHSOJHW-VIFPVBQESA-N	241.291	-0.857	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2215771512	INJZRQQDZCGROP-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1cnc([N+](=O)[O-])c1	2215773166	RSFBSEYFJWFWBH-NKWVEPMBSA-N	239.235	-0.193	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)CCN1C	2216528270	NCXOAURXLCYLEY-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccc(NC[C@@H](O)C(F)(F)F)nc1	2217172571	LONDIKJYRNCNTF-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
NC1CC(F)(CNc2ccc(B(O)O)cn2)C1	2217172801	MRBRXQYLBURVBS-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
Cc1ncc(CNc2ccc(B(O)O)cn2)o1	2217173480	RLZOABOUNSQMMW-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CC1(C)C[C@H](N)[C@H]1Oc1ccc(B(O)O)cn1	2217188679	RVVSWZFYSYOILT-WCBMZHEXSA-N	236.080	-0.734	50	10	BBGE	
OCCC1CC(Nc2ccc(B(O)O)cn2)C1	2217197195	KVFLKSNAIMMWOW-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCNC1	2217198401	ALUFQEADLSROKL-LLVKDONJSA-N	235.096	-0.827	50	10	BBGE	
CNCCC[C@@H](C)Nc1ccc(B(O)O)cn1	2217202897	MSOSWXNVTDLAON-SECBINFHSA-N	237.112	-0.439	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@@H]2CNC[C@@H]21	2223624436	FABSSJMVKIDDFE-WCABBAIRSA-N	248.091	-0.862	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H](C)CN1	2223649486	ZJQOYHAQXUEEAR-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
COCC[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243347532	NGYNBNRREMBDQK-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC2(CC2)C1	2243349178	HGJZYGALKQFYCR-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(B(O)O)o1	2243362256	OJPDRADQHVDCRR-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
CCC(CC)(CNC(=O)C#CB(O)O)OC	2243362722	VQMXFUWZSAWYET-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)C1(B(O)O)CC1	2243363206	CMDHHSCKPQQESR-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2(B(O)O)CC2)[C@H]1C	2243364284	UOXVHBXWNDGZEY-FXQIFTODSA-N	227.069	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCO)C1CCC1	2243396765	QMLBMRNAFGDBLP-DTWKUNHWSA-N	227.069	-0.777	50	10	BBGE	
CCOC1(CNC(=O)C2(B(O)O)CC2)CC1	2243398575	RZWOKBATVXLIFW-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
O=C(NC1CCCC1)c1cc(B(O)O)c[nH]1	2243400243	XYIKSAWCTDIICH-UHFFFAOYSA-N	222.053	-0.633	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)c[nH]1	2243401760	WGBNDQSRTSMLQB-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2243403637	AMEQGRYDJULQGZ-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
C=C(CC)CNC(=O)c1coc(B(O)O)c1	2243407987	DPTZCGMLBDOHAM-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C[C@H](CCCCO)NC(=O)C1(B(O)O)CC1	2243411259	QQBFLWZEYXMHHL-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2C[C@@]2(C)C1)B(O)O	2243412809	UBYOHMMYMBUMGO-BDAKNGLRSA-N	245.109	-0.774	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)[C@H]1C[C@@H]1B(O)O	2243427747	ZZZRYBLCEHBHBF-YUMQZZPRSA-N	228.101	-0.707	50	10	BBGE	
C=CC(=O)N(C)Cc1sc(C)cc1B(O)O	2243665339	RRGKGCWJYPAOMD-UHFFFAOYSA-N	239.105	-0.119	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243752528	JUXKTWFYHYROMO-DSYKOEDSSA-N	229.041	-0.781	50	10	BBGE	
C=C(C)CONC(=O)c1cocc1B(O)O	2244205060	FGZVMNGZYCHIFE-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244332186	GOSRQJMTKPAGHG-RXKWGBCNSA-N	227.308	-0.687	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)NC(=O)CCl)C(N)=O	2246270288	XIRCBZLLORJVTE-CAHLUQPWSA-N	249.698	-0.049	50	10	BBGE	
COC(C)(C)[C@H]1CCCN1C(=O)C#CB(O)O	2247740317	ITXWHBKBQTUOJC-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
CCON(C)C(=O)c1ccc(C)cc1B(O)O	2247760198	DINOWNZCAYFPGG-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
C=CCCCNC(=O)c1ccc(B(O)O)cn1	2247769027	CHRHAPZZIYUISZ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
O=C(NCCCc1cnoc1)[C@H]1C[C@@H]1B(O)O	2247809959	SOPFSASYXTVPCF-IUCAKERBSA-N	238.052	-0.414	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1CCCO	2247848023	GAOOZUWJJWSJQL-SNVBAGLBSA-N	239.080	-0.845	50	10	BBGE	
CC1(C)CC[C@@H](CO)N(C(=O)C#CB(O)O)C1	2247851202	WMRRLQVIOFWFEA-VIFPVBQESA-N	239.080	-0.989	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247873124	FLQCHXOWMYIKEI-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1CC[C@@H]2CNC[C@H]21)C1(B(O)O)CCC1	2247877425	ANZISWPJHSCHIY-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247877788	DHJZVWLTUQPQFM-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1CCOC[C@@H]1CF)C1(B(O)O)CCC1	2247879384	UFXSHYDLWOLGLK-QMMMGPOBSA-N	245.059	-0.420	50	10	BBGE	
CCCN(CCC)C(=O)c1cc(B(O)O)n[nH]1	2247885502	MQONDWUUBAYIOL-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
CC(C)N(CC(C)(C)O)C(=O)[C@H]1C[C@H]1B(O)O	2247886455	BSGLLBOQTSVYFJ-DTWKUNHWSA-N	243.112	-0.143	50	10	BBGE	
CCCC1(O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247886566	CUNZXOBKVMLLGZ-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
CCOC(=O)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247894491	HDWKRQKINZOKAX-YUMQZZPRSA-N	243.068	-0.691	50	10	BBGE	
O=C(NCCc1ccccn1)[C@@H]1C[C@H]1B(O)O	2247896820	KUVAGYLQLLEMAN-NXEZZACHSA-N	234.064	-0.397	50	10	BBGE	
NCC1(F)CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899733	PTEDXTRNAFXAGH-VHSUDJNHSA-N	244.075	-0.958	50	10	BBGE	
NC[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905391	USYKEVMFDBMHMX-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2248441534	GNRJBPPJJUFDIK-GUBZILKMSA-N	242.128	-0.269	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](F)C(=O)O	2248587340	OGMPUYDNEQPJAT-MVIOUDGNSA-N	247.031	-0.976	50	10	BBGE	
CON(CC1CCC1)c1ncccc1B(O)O	2250998727	KACUDAJXOWGKOY-UHFFFAOYSA-N	236.080	-0.071	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@H]2CCO2)cc1B(O)O	2253193030	ZACIXJSCTPXFCQ-SECBINFHSA-N	236.080	-0.917	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1	2255476844	QTXYRDHTMXGLGX-BJDJZHNGSA-N	245.087	-0.328	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cc1OC	2255502799	ZOHNXGLPVQHTBY-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C#CC1CN(C(=O)c2c(F)cccc2B(O)O)C1	2255508757	CSEFWTNHQKMROG-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cn1	2255521403	WLNHWBDCJPGRBU-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)[C@H]1CC=CCC1	2255550402	MATDFALEMVETNW-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
Cc1cnc(C(=O)N[C@@]2(C)C[C@H]2C)c(B(O)O)c1	2255558204	FTMJSSPEXNDKGK-PELKAZGASA-N	248.091	-0.402	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ccc(B(O)O)cn1	2255675281	YNWCRGRCTMPKJT-QMMMGPOBSA-N	246.075	-0.709	50	10	BBGE	
C=C=CCCNC(=O)c1ncc(C)cc1B(O)O	2255684536	NBBYOJNGYDEPKJ-UHFFFAOYSA-N	246.075	-0.469	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2258137797	AZHBMGAGIQMISL-LEQIOUOKSA-N	247.059	-0.560	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	2297205181	RDNSRVNKHWBQNL-RNJXMRFFSA-N	221.684	-0.185	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C=C[C@@H]1C2	2298374971	IVFUHUBCRVIGIU-IONNQARKSA-N	233.032	-0.640	50	10	BBGE	
O=C1N[C@H](CN2CC[C@H](B(O)O)C2)CC1(F)F	2304496249	FQCWKYFBNKRCDW-BQBZGAKWSA-N	248.038	-0.941	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(NC(=O)OC)C1	2306928456	GGIUQFDYGMEODN-QMMMGPOBSA-N	244.295	-0.815	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@@H]2CC[C@H]1C2	2312857050	LEVASJOMDXGKLJ-SCZZXKLOSA-N	246.075	-0.614	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1ccc(B(O)O)cc1C#N	2317206728	PWMLOGYDBRUIJL-IUCAKERBSA-N	248.091	-0.400	50	10	BBGE	
C#CCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	37834429	YLGKKVDOADLABG-MRVPVSSYSA-N	249.719	-0.126	50	10	BBGE	
C[C@H]1CSCCN1[C@@H](C)C(=O)NN	70222327	KPBFPEKOMURHBV-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
CC[C@@H](C)OCCn1cc(C(=O)NN)nn1	82465154	SXBCTADOPLLDIZ-SSDOTTSWSA-N	227.268	-0.303	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C)CC1	82466515	AURAFLBXGMYWTD-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COCCN(CCC#N)CCCC(=O)NN	82468793	WXBQXRVESLSIGL-UHFFFAOYSA-N	228.296	-0.381	50	10	BBGE	
NNC(=O)CCN1CCN(CC2CC2)CC1	82470915	SMSRMWNDONNYHS-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
Cc1cnc(=O)n(CCCCC(=O)NN)c1	82471734	MIESRBLGVZYWML-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
CCCn1c(S[C@H](C)C(=O)NN)n[nH]c1=O	82472646	WYBWNOAVAOFXBN-RXMQYKEDSA-N	245.308	-0.548	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCNC(N)=O	133357311	BSMRBNYYKQZMDV-SCSAIBSYSA-N	236.659	-0.892	50	10	BBGE	
CC1(C)CN(C(=O)NN)C[C@@H](CO)O1	158687609	XLNQWLJFPZLULV-LURJTMIESA-N	203.242	-0.959	50	10	BBGE	
O=C1CC[C@H](NC(=O)C(Cl)Cl)C(=O)N1	169912282	OQXCHSYHHZBTHG-VKHMYHEASA-N	239.058	-0.289	50	10	BBGE	
CSCCCC(=O)NNC(=O)CO	180966085	DCKOVQSULYQSPZ-UHFFFAOYSA-N	206.267	-0.731	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCC1	204224216	HCVMQMSUJGYKOB-UHFFFAOYSA-N	219.049	-0.398	50	10	BBGE	
CC(C)(CNS(=O)(=O)CCCl)C(N)=O	230408528	JBQGTHPGGFLEEB-UHFFFAOYSA-N	242.728	-0.344	50	10	BBGE	
CCN(CCCN(C)C)C[C@H](C)C(=O)NN	230740532	MCSXZMNZLBGJMB-JTQLQIEISA-N	230.356	-0.114	50	10	BBGE	
Cn1cnc(CNC(=O)NC(=O)CCl)n1	236086878	QHLKEITWFVCYIQ-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
Nc1nccc(B(O)O)c1C(F)(F)F	238697448	IEOCCGHEIRPIMH-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
OCc1cc(C(F)(F)F)c(B(O)O)cn1	238715572	VWJWJBPZKZGDSA-UHFFFAOYSA-N	220.943	-0.728	50	10	BBGE	
CNNC(=O)C[C@@H](N)[C@H]1CCCN(C)C1	258957458	BRIRNKOCWNJVOI-DTWKUNHWSA-N	214.313	-0.704	50	10	BBGE	
CN(C)C(=O)C1=C(C#N)C=NS1(=O)=O	260116887	KIPITLNZLXCTEV-UHFFFAOYSA-N	213.218	-0.734	50	10	BBGE	
NC(=O)NNC(=O)N[C@@H]1CCSC1	306452268	WZWJHBAAVGCGKS-SCSAIBSYSA-N	204.255	-0.626	50	10	BBGE	
O[C@@H](CCl)CN1C2COCC1COC2	306741498	UTZHEPQZHAEGSC-HACHORDNSA-N	221.684	-0.314	50	10	BBGE	
OB(O)c1c(O)ccc2c(O)csc12	306933654	GGEUPNPYFNUSFR-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@](C)(CN)C1	309394076	FXGBTMNBKIHZKI-GXSJLCMTSA-N	228.340	-0.328	50	10	BBGE	
NNC(=O)CN1CCN(C2CCC2)CC1	378759496	TZVJFNCOVMENNS-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
NNC(=O)CCCCN1CCSC[C@@H]1CO	388087973	CNSZDQSGXILNCW-VIFPVBQESA-N	247.364	-0.444	50	10	BBGE	
NNc1cc(B(O)O)ccc1OC(F)(F)F	396048175	HOVFIEOFHNUEPT-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
Nc1c(B(O)O)ccc2sc(C(=O)O)cc12	396249641	WCQDQPOWSUMOPW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1c(B(O)O)cc(O)c2ccsc12	396341394	MLPKVCINGHWMRE-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN(C)NC(=O)N1CC=C(C(=O)O)CC1	403567681	MANHYBBGIRVJJY-UHFFFAOYSA-N	213.237	-0.111	50	10	BBGE	
CCC(=O)NCc1ccccc1B(O)O	405010473	FCJDVNKZJJKURP-UHFFFAOYSA-N	207.038	-0.607	50	10	BBGE	
COC(=O)NNC(=O)Cc1ccnn1C	496011525	SKJICTXLMJZUAX-UHFFFAOYSA-N	212.209	-0.650	50	10	BBGE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NN)C2	496245863	LOWZIEWZYRSUGN-RNJXMRFFSA-N	227.264	-0.157	50	10	BBGE	
C[C@H](CO)[C@@H](C)NCc1cccc(B(O)O)c1	585025534	WMORNFLMGIMYIT-NXEZZACHSA-N	237.108	-0.527	50	10	BBGE	
OB(O)c1ccc(CNC[C@@H]2CCC[C@H]2O)cc1	585027764	ZNLUVILRMBWFEC-WCQYABFASA-N	249.119	-0.383	50	10	BBGE	
CN1CCN(C2CN(C[C@H](O)CCl)C2)CC1	697966032	SSBMNBQFOBLYBU-LLVKDONJSA-N	247.770	-0.482	50	10	BBGE	
OC[C@@H]1CN(CCBr)C[C@@H]1CO	705325031	UIFXXLMAZBNHNX-OCAPTIKFSA-N	238.125	-0.086	50	10	BBGE	
O=C(CCCl)N1C[C@@H](CO)[C@@H](CO)C1	705329166	JQORFATYQOMKAO-OCAPTIKFSA-N	221.684	-0.326	50	10	BBGE	
C=CCNC(=O)N1CCc2cccc(B(O)O)c21	712160052	LRPMHXMITXKZIT-UHFFFAOYSA-N	246.075	-0.376	50	10	BBGE	
CO[C@H](C)C(=O)N1CCc2ccc(B(O)O)cc21	712975250	URVUQHURBZJHAI-MRVPVSSYSA-N	249.075	-0.710	50	10	BBGE	
CC(=O)NNC(=O)COc1ccc2c(c1)CNC2	713114182	VEHUXIXWAZOGDB-UHFFFAOYSA-N	249.270	-0.164	50	10	BBGE	
C[C@@H]1CN(C)CC1=NNC(=O)[C@H]1COCCO1	752165289	IFHPQEVURUOIFO-PSASIEDQSA-N	241.291	-0.545	50	10	BBGE	
CSCC(=O)NNC(=O)N1CCN(C)CC1	773660187	WGINANZJHFCQDD-UHFFFAOYSA-N	246.336	-0.662	50	10	BBGE	
CN(C)C(=O)C1(C(=O)NN(C)C2CC2)CC1	819651695	SDFPWQALHYTCEJ-UHFFFAOYSA-N	225.292	-0.020	50	10	BBGE	
CNC(=O)CC(=O)NN[C@@H](C)C(F)(F)F	862317817	KESYDQYINLVHDW-BYPYZUCNSA-N	227.186	-0.306	50	10	BBGE	
CN(NC(=O)[C@H]1COCCO1)c1ccccn1	862752428	ORXWAARJXOUDLI-SECBINFHSA-N	237.259	-0.036	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cc(C=O)n(C)n1	929289006	ZINBDLJTRKZUQS-UHFFFAOYSA-N	238.247	-0.350	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1261912663	UYANLKRKJYIKKS-PSFRMBJNSA-N	240.259	-0.616	50	10	BBGE	
O=C(CC1CC1)NNC(=O)c1n[nH]c(O)n1	1306852445	UZQSJKVRLCFDMG-UHFFFAOYSA-N	225.208	-0.929	50	10	BBGE	
Cn1nccc1CCC(=O)NNc1cnnn1C	1331392821	KIZAPYUDXXVMDH-UHFFFAOYSA-N	249.278	-0.376	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCCO1)c1ncon1	1439776285	XOQXDCJGKYFJAE-LURJTMIESA-N	240.219	-0.600	50	10	BBGE	
O=C(CCc1nn[nH]n1)NN=c1cc[nH]cc1	1556154891	XPXDHKCTLDQAAH-UHFFFAOYSA-N	233.235	-0.908	50	10	BBGE	
Cc1c[nH]cc1C(=O)NNC(=O)c1cn(C)nn1	1641367004	RBWICDCKTJOZNC-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
C/C=C(\CC)C(=O)NNC(=O)[C@H]1COCCO1	1772929977	WWZZEEMFWXGCFI-QZGLAHODSA-N	242.275	-0.095	50	10	BBGE	
NC(=O)N1CC(NC[C@H]2C[C@@H]2Cl)C1	1883553376	QLRNSGFWCFVREG-VDTYLAMSSA-N	203.673	-0.034	50	10	BBGE	
CC[C@@H](OCCCN(C)C)C(=O)NN	1884745670	IBLFLMLUWQJBNV-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNCCO)CCO1	1886003995	YNVHHPJTXIKZOE-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
CSC1CC(CNC(=O)C(=O)NN)C1	1888345310	BJQUSSHOLWAOON-UHFFFAOYSA-N	217.294	-0.766	50	10	BBGE	
O=C1NCCN(CCOCCCl)C1=O	1891995296	XTOLICDTKGRUIO-UHFFFAOYSA-N	220.656	-0.800	50	10	BBGE	
O=C(NC[C@]1(O)CCOC1)[C@H]1C[C@@H]1Cl	1893474001	CZTRTRKGWYIKGS-ACLDMZEESA-N	219.668	-0.119	50	10	BBGE	
N[C@@H](CNC(=O)C1CC(Cl)C1)C(=O)O	1893491369	UOGXZSKSNVTFPX-WRVKLSGPSA-N	220.656	-0.468	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	1896669424	YYNLNQOEPYDEQF-YIZRAAEISA-N	227.308	-0.542	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](N1CC(=O)OC(=O)C1)CO2	1900577774	OBLUBSBATSZOKI-DKCNOQQISA-N	225.244	-0.061	50	10	BBGE	
CC(C)(C)OCC(=O)N1CC[C@@H](B(O)O)C1	1902523088	WUUUJDXQVQWXFQ-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C[C@H](CN1[C@H](CO)C[C@@H]2CCC[C@@H]21)C(=O)NN	1906309726	PWSGWZMWLIJTEY-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1F)c1ccc(B(O)O)cc1	1910489791	XUAWFDFKAMSFAZ-WPRPVWTQSA-N	237.039	-0.546	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H](C)CCO	1917043991	ZICJYSYJWFGFBC-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H](O)C1CCC1	1923223531	SEIDGXHLRNYRIA-YFKPBYRVSA-N	240.181	-0.143	50	10	BBGE	
CN[C@H](C)CC(=O)N1CCC(O)(C#N)CC1	1926890909	RLDDGYGDURBVBS-SECBINFHSA-N	225.292	-0.139	50	10	BBGE	
OC[C@@H](O)[C@@H]1COCCN1CCCl	1928573463	JONUKDCOXXHDKD-JGVFFNPUSA-N	209.673	-0.721	50	10	BBGE	
C[C@@H](Cl)CN(C)C(=O)Cn1cnnn1	1928697015	UYXIFFPSOJDJCF-ZCFIWIBFSA-N	217.660	-0.241	50	10	BBGE	
NNC(=O)c1coc(CN2CCC2=O)c1	1928992580	RHFKZQMPBDPGIS-UHFFFAOYSA-N	209.205	-0.385	50	10	BBGE	
CC[C@H](CCOC)C(=O)NCB(O)O	1931775323	JNSUAENVSAWKHL-SSDOTTSWSA-N	203.047	-0.823	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC(F)(F)C1	1932126758	MOCAOJPGFHJYDW-LURJTMIESA-N	223.223	-0.320	50	10	BBGE	
C[C@H](OC[C@H]1OCC[C@@H]1C)C(=O)NN	1932229526	QNZSBTKTOBEJRF-BIIVOSGPSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]1(C)CO	1932967357	MFCVOQRWVDQDEU-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@H]2C1=O	1935428780	XWLNKCWRNIGENR-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2C[C@H]2C(=O)NN)n1	1936084005	SMDRTWUCCIMTEI-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
CCn1nnnc1SC[C@@H]1C[C@@H]1C(=O)NN	1936094741	PNTPQMHRHORHKU-WDSKDSINSA-N	242.308	-0.589	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094924	RKSHQOAWJZLIGC-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
CO[C@@]1(C)CCN(CCOCC(=O)NN)C1	1936535267	NKZBUOAPBMGAHI-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCN(C)C1	1941094073	KFNKCIMPRUGFDK-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN(C(=O)CBr)[C@H]1CC(=O)NC1=O	1954036417	CONBTWIQIGTFIC-BYPYZUCNSA-N	249.064	-0.745	50	10	BBGE	
OC[C@]1(O)CCN(C[C@@H](O)CCl)C1	1954821815	FKULEILEJURAKA-YUMQZZPRSA-N	209.673	-0.985	50	10	BBGE	
C#CCN1CCN(C[C@@H](O)CCl)C1=O	1956773602	FQEXIXKXTKIIER-QMMMGPOBSA-N	216.668	-0.043	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1957559028	GRPYNJUUXKSTJR-OJEIPOMOSA-N	233.695	-0.140	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@@H]2[C@H]1C2(F)F	1958102081	GQUNOTIKSQTWMM-MROZADKFSA-N	219.191	-0.864	50	10	BBGE	
CO[C@@H](CCCl)CNCc1nnn(C)n1	1960992423	JPPLOXURFKPLCX-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
Cc1cnc(N(C)C(C)C)c(B(O)O)c1	1961718024	JDDSULRGEUCTGG-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C1)CN2C)C(=O)NN	1976820296	IDMTXRQOIZHPJC-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
OB(O)c1cncc(OC2C[C@@H]3C[C@H]3C2)c1	1978372740	TXFGIFQQFZUWCQ-YUMQZZPRSA-N	219.049	-0.061	50	10	BBGE	
CN(CCC1CC1)c1ncccc1B(O)O	1981423921	LFUWCNQJGRUTOR-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@@H](Cl)C#N	1982215745	INSYGFIZQOXYDH-IUCAKERBSA-N	244.726	-0.521	50	10	BBGE	
CN(C)CC1(NC(=O)NC(=O)CCl)COC1	1983424345	UHCGXPWYCQSGRK-UHFFFAOYSA-N	249.698	-0.618	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCC(O)CC2)C1	1985164209	PCNGSBASYRYZNW-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCOC[C@@H]2C1	1986813695	ADCJKUPNZNQGRP-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
C#CCNC(=O)CCNC(=O)NC(=O)CCl	1988007681	NESPPWWFGWQYGD-UHFFFAOYSA-N	245.666	-0.810	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CC(N2CCNCC2)C1	1991680470	QRCSAOOKMBHUMX-UWVGGRQHSA-N	243.738	-0.270	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@@H](C2)C3)nc1	1992342370	XCMYNQNVIOTOLJ-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)c1cccs1	1996648218	WYGMWJHRNCNIIV-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@H](C)CO1	2001540832	XKYJSBIHZIVTMK-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN1CCCC1=O	2004253258	DDYLEORXXBAMRB-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@H]1[C@H](C)CCCN1c1ncncc1B(O)O	2004921567	XNPZQQBTSHDXHS-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
CCCN(CC)c1ncc(B(O)O)c(OC)n1	2005015101	WBFYKZQZECEWCG-UHFFFAOYSA-N	239.084	-0.599	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@@]2(CCCOC2)C1	2009135639	DCCLZHZESAAOSJ-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
Cc1nn(C[C@@H]2OCC[C@@H]2F)c(C)c1B(O)O	2009186102	MAGKTIUUVQQGFB-IUCAKERBSA-N	242.059	-0.693	50	10	BBGE	
CN(C[C@H]1CCC(C)(C)CO1)C(=O)C(=O)NN	2011479287	LDNXBPLOMQDWHB-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
CC(C)(CN1C[C@H]2CC(O)C[C@@H]2C1)C(=O)NN	2012899029	DWUHSIVZKLTOAS-RKDXNWHRSA-N	241.335	-0.295	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013676261	BHGDUYJORNXPRF-VWYCJHECSA-N	240.351	-0.221	50	10	BBGE	
CCCN(C)C1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2017467167	TZFPALVXDPYBQG-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](c1cccc(O)c1)N(C)C(=O)C(=O)NN	2017508965	XZHIBYFQGGZWGM-ZETCQYMHSA-N	237.259	-0.099	50	10	BBGE	
C=CC1(O)CN(Cc2nc(C(=O)NN)co2)C1	2018883543	LHKZAJUGJADHCW-UHFFFAOYSA-N	238.247	-0.989	50	10	BBGE	
C[C@@H](CN1CC(c2ccn(C)n2)C1)C(=O)NN	2019133531	LVYFFWIWHXLODG-QMMMGPOBSA-N	237.307	-0.555	50	10	BBGE	
NNC(=O)c1coc(CN2Cc3conc3C2)n1	2042300222	GLUABPMSVPTBIC-UHFFFAOYSA-N	249.230	-0.218	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)[C@@H]2CC[C@@H]21	2052492802	WGRMRZCVFUPZCC-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC=C[C@H]1CO	2056277875	RZCOCKXGPRLOJT-VIFPVBQESA-N	248.286	-0.582	50	10	BBGE	
COc1c(B(O)O)cc(F)cc1C(=O)O	2059985514	GEPSOOQQWQKAIO-UHFFFAOYSA-N	213.957	-0.788	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1cc(C2CC2)cn1	2068335542	UMEPDGPJYSMASM-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCc2nccn2C1	2076080118	VFMNMLGVHFKNQE-SECBINFHSA-N	249.079	-0.870	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1ccc(B(O)O)cn1	2212607432	ATKLLABSIPGGIO-JGVFFNPUSA-N	224.069	-0.734	50	10	BBGE	
C[C@@H](O)C1(Nc2ncccc2B(O)O)CC1	2212610042	BFQMMUSGQLSLOX-SSDOTTSWSA-N	222.053	-0.913	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2215006242	BCZNDFWYSJBSTP-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](CN(C)C)Nc1cc(B(O)O)ccn1	2217173063	ONEBSFNAZLAMNV-SNVBAGLBSA-N	237.112	-0.487	50	10	BBGE	
CN1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217177772	MZAIWJWSLLFVJB-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
CC[C@H](CNc1ncccc1B(O)O)COC	2217177911	OZPDRNKPXXXOCL-SECBINFHSA-N	238.096	-0.154	50	10	BBGE	
C=CC[C@H](N)COc1cc(B(O)O)c(C)cn1	2217181378	OXKMPFDTWPBWFL-VIFPVBQESA-N	236.080	-0.648	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Oc1ncccc1B(O)O	2217187496	ZMVAIVNLEPQMNY-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1Nc1ncccc1B(O)O	2217200866	VQQLXHKZCOXJRD-PSASIEDQSA-N	235.096	-0.877	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CO[C@H]3C[C@@H]2C3)c1	2217203853	AZTUYZJBSKAUQK-FKTZTGRPSA-N	234.064	-0.649	50	10	BBGE	
CC1(C)COCCN1c1cc(B(O)O)ccn1	2217204774	OTFWWGJMYHRYLR-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCCC[C@H]21	2217328634	CDWGTWRCHKTLSX-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C(C)(C)CN1	2223626179	GXGHWEXBUREISC-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
C[C@@H](C#N)CN(c1ncc(B(O)O)cn1)C1CC1	2223638158	VBEXTHRLOHXMIG-QMMMGPOBSA-N	246.079	-0.715	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@H]3C2)cc1B(O)O	2223652854	MJZQIZTZRFTIOZ-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)ccn2)CCOCC1	2223653858	KVOSWMVIZAABIE-UHFFFAOYSA-N	247.059	-0.677	50	10	BBGE	
CN1CC2CC1(CNc1ncccc1B(O)O)C2	2223675228	QFEMQOKGQVQMBJ-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
C[C@@H](C(=O)NCC#CB(O)O)C(F)F	2241438180	JTUZNZWWJJVOPM-RXMQYKEDSA-N	204.969	-0.981	50	10	BBGE	
CCc1nc(C(=O)O)c(B(O)O)s1	2241494432	YATBRMNIJACSQW-UHFFFAOYSA-N	201.012	-0.917	50	10	BBGE	
OB(O)c1cccnc1SC[C@@H]1CCCN1	2242795605	JJWWMVCQBRILEF-QMMMGPOBSA-N	238.121	-0.395	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)OC(C)(C)C	2243357618	ZEOOAYHJLARWMP-MRVPVSSYSA-N	227.069	-0.678	50	10	BBGE	
Cc1n[nH]cc1NC(=O)C1CC(B(O)O)C1	2243392934	YEPQKYPZBAASRE-UHFFFAOYSA-N	223.041	-0.090	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(Cl)cc1	2243401325	PILNVEGOUSEMMN-UHFFFAOYSA-N	237.451	-0.028	50	10	BBGE	
CC(C)C[C@H]1C[C@H]1CNC(=O)C#CB(O)O	2243404812	UWYVQROWBZBIMN-UWVGGRQHSA-N	223.081	-0.200	50	10	BBGE	
CN(C)[S@@](C)(=O)=NC(=O)C1(B(O)O)CCC1	2243411723	ZCFSYGOVOABBET-INIZCTEOSA-N	248.113	-0.516	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CC1	2243758633	IRVUHJMARIMKPT-ZCFIWIBFSA-N	229.041	-0.685	50	10	BBGE	
Cc1ncoc1C(=O)NCCC#CB(O)O	2244546439	LKZYHNDHJKOKEM-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2CC(C2)C1	2247723936	WGKVATXWKZOPAT-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CN(C[C@]12CO[C@](C)(C1)C2)C(=O)C#CB(O)O	2247738591	SFWZKCDRRSTDJP-PHIMTYICSA-N	237.064	-0.971	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2247743810	JQTMHRSRTQMLNP-RNFRBKRXSA-N	234.064	-0.777	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cc(F)ccc1B(O)O	2247752465	PUVLPCWOFMIMLP-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787200	MALJOPLIJQBCBX-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
Nc1cncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247797030	FSFYCTPFTCQKRD-IUCAKERBSA-N	235.052	-0.857	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247797323	ILNIEBUJSTXMMX-ZYUZMQFOSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1NCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247799589	FUZLREZTBYCQLR-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC1CN(C2CCC2)C1)[C@H]1C[C@H]1B(O)O	2247800073	KZPRFAGWNVYVOO-VHSXEESVSA-N	238.096	-0.798	50	10	BBGE	
CNCCC[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247803812	CTJGCEFQRCODFI-OPRDCNLKSA-N	242.128	-0.256	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247805713	KRRXHISBKFCFBD-SFYZADRCSA-N	236.036	-0.108	50	10	BBGE	
O=C(N[C@@]12CCCN(CC1)C2)[C@H]1C[C@@H]1B(O)O	2247806047	CYZJNJQYYHFULP-QXEWZRGKSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@]12C[C@H](CCO1)C2)[C@@H]1C[C@H]1B(O)O	2247806414	MYYMQQSBRWKVFV-CDLYGTGVSA-N	239.080	-0.465	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247857127	QXDZTAMPXJUZAD-SECBINFHSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)[C@H]1C[C@@H](B(O)O)C1	2247858088	ARBMBNJQEHLQBR-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
C#CCN(CC#C)C(=O)c1ccc(B(O)O)s1	2247867942	BEYJDDHFLZUQBF-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
C/C=C/CNC(=O)c1cc(C)ccc1B(O)O	2247873005	CFIXEPHXVWOYJC-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
C=CCONC(=O)c1cc(C)ccc1B(O)O	2247873213	GUTKHQAPUGYGPT-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
CCO[C@@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2247873352	IVRZFJLLJUXLHK-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
O=C(NC[C@@]12COC[C@@H]1C2)C1(B(O)O)CCC1	2247874200	KGAPARWGOKPRHZ-WPRPVWTQSA-N	239.080	-0.464	50	10	BBGE	
CC(C)(C)[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2247877703	JBBZYMNHWPRUNH-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1occc1B(O)O	2247878772	NANQSWZROALXRC-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)[C@H]1C[C@@H]1B(O)O	2247899263	LXQUNPTXSODSLM-KBDSZGMXSA-N	239.080	-0.467	50	10	BBGE	
CN(CCF)C(=O)Nc1ccccc1B(O)O	2247949842	MVEKJELFNSFKNC-UHFFFAOYSA-N	240.043	-0.200	50	10	BBGE	
C=C1CC(C(=O)Nc2cc(B(O)O)ccn2)C1	2248413953	CLGWGEMTONHTJR-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
C[C@@H]1COCCN1CCOCCCC(=O)NN	2249091036	WMZKTOXMORPRDS-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
O=C(NOC1CCCC1)c1cocc1B(O)O	2249427856	ANMIFGKCFYQLGG-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
CC#CCCCNC(=O)c1cocc1B(O)O	2249429721	KGBAHSPFGRCQFS-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CC(C)C1(Oc2ccc(B(O)O)cn2)COC1	2250790191	KIXGXVYFVDBACM-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1cc(B(O)O)c[nH]1	2255464442	WMUFUIWAKKFYNE-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1ccoc1B(O)O	2255464579	YFYWFWJXTUXLDL-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccc(B(O)O)cn1	2255528853	DDXDUGKDWJRKLH-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
CCC/C=C/CNC(=O)c1ncc(B(O)O)cn1	2255584877	AURSOVXPEWKGEI-SNAWJCMRSA-N	249.079	-0.758	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1cncc(B(O)O)c1	2255716615	SRNNAOHKLUOPDB-AVPPRXQKSA-N	246.075	-0.710	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1c(F)cccc1B(O)O	2255730007	DXAJKWIKOIZMSV-MRVPVSSYSA-N	247.034	-0.647	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)cn1CC	2255735215	PFLYDXISULSMOH-SNVBAGLBSA-N	246.075	-0.965	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	2297887519	YSMOFUPKWDYHAC-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2298224467	HYYGYIHFRMHGOW-GKROBHDKSA-N	240.043	-0.918	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	2298367367	CECWLGVDXYASPK-IMICNGSGSA-N	233.076	-0.447	50	10	BBGE	
CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369704	BYDUPPCDLACDJT-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H]1[C@@H]2CO	2298370771	LPZXVJWBQNIWEY-WLRJLXCNSA-N	239.080	-0.921	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374780	MRKALPWWGDESSX-BZNPZCIMSA-N	237.064	-0.366	50	10	BBGE	
CN1CC[C@H]1COCc1ccccc1B(O)O	2299045831	DNDPDDPUWCCBFK-NSHDSACASA-N	235.092	-0.413	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300193818	YOMUFZZBTKWLCZ-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC[C@H]1CO	2300362694	FMUPJTKIBWZSGR-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300370821	NHKOXMPWOVYUJL-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1	2303098392	XEEDNDRPLZRDAF-CHWFTXMASA-N	241.096	-0.661	50	10	BBGE	
NC1(CCOc2cc(B(O)O)c(F)cn2)CC1	2303852703	OEMNJLPBGXXUKX-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
NNC(=O)CCN(CCCO)C1CCOCC1	2307613093	HLSMKJGIILYTHB-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)C(=O)Nc1cc(F)ccc1F	36948051	ITPQPDQEYPPLEK-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
CN(CCO)CC(=O)NNc1ccccn1	49634111	CPOLQVWFQQDPMA-UHFFFAOYSA-N	224.264	-0.551	50	10	BBGE	
NNC(=O)CCn1ncc(=O)c2ccccc21	70163021	AMQGETAUDLODHV-UHFFFAOYSA-N	232.243	-0.224	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCn2ccnc2C1	82469259	ZRYFDXYDKJNHRI-MRVPVSSYSA-N	223.280	-0.533	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cnc([N+](=O)[O-])n1	86313784	RGBILVAVWPIKMC-WHFBIAKZSA-N	228.212	-0.627	50	10	BBGE	
C=CCCC(=O)NNC(=O)c1c[nH]nn1	104649632	XTKYRBNMDNEPBK-UHFFFAOYSA-N	209.209	-0.468	50	10	BBGE	
NNC(=O)c1cc(COC2CCOCC2)on1	110566507	OGFFRQPWEPCRJV-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
CCO[Si]12OCCN(CCO1)CCO2	169746478	RAQAYUJGWWHPLN-UHFFFAOYSA-N	219.313	-0.163	50	10	BBGE	
CNCC(=O)NNC(=O)Cc1ccc(F)cc1	195129058	DHMGABCIIYXYAJ-UHFFFAOYSA-N	239.250	-0.265	50	10	BBGE	
COC[C@H](C)Oc1ccc(B(O)O)c(F)c1	203556709	MAAWHDPWHYUYSC-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
O=[N+]([O-])c1cc(Cl)ccc1B(O)O	211193966	ASHCGGVQMXSLCS-UHFFFAOYSA-N	201.374	-0.072	50	10	BBGE	
CC[C@@H](N)C(=O)N1CCCC[C@H]1B(O)O	222268653	JSNFEIRIDQHISK-SFYZADRCSA-N	214.074	-0.883	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227215066	NIFFJAARVUMZJK-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)OC(C)(C)C1)C(=O)NN	228983666	SUXRNYCNXBWWNA-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](OCCC1CC1)C(=O)NN	229575958	MIEDCZLAAHUDTE-MRVPVSSYSA-N	202.254	-0.192	50	10	BBGE	
CCN(CCCN(C)C)C[C@@H](C)C(=O)NN	230740529	MCSXZMNZLBGJMB-SNVBAGLBSA-N	230.356	-0.114	50	10	BBGE	
CO[C@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	234817012	UKJJRRHVCWKCML-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
NC(=O)NN[C@H](C(=O)O)c1ccccc1	238590867	HLOPITZDJXBMTL-ZETCQYMHSA-N	209.205	-0.015	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCOC1	251246378	UNFXLXZGNHOBKN-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CCOC1	251255955	VFONDSSDXVKAOR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCOc1ccc(C[C@H](N)C(=O)NN)cc1	258943145	CRMVQWXCTIDHMC-JTQLQIEISA-N	223.276	-0.055	50	10	BBGE	
CCC[C@@H](SCC(N)=O)C(=O)NN	300858600	UVVMVMOYYWPDIZ-RXMQYKEDSA-N	205.283	-0.637	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCCO	300863669	VTXNNDCSDRHGPS-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
O[C@@H]1[C@H]2CO[C@H]1[C@H](CBr)O2	306202628	YOVIXEGZPWOBCY-KCDKBNATSA-N	209.039	-0.092	50	10	BBGE	
Cn1nnnc1N[C@@H]1COC[C@@H]1Cl	306278757	QMGZBALOHIAIPZ-CRCLSJGQSA-N	203.633	-0.372	50	10	BBGE	
O=[N+]([O-])c1ncc(Br)cc1B(O)O	307621136	JTKKUJMKXZCPNR-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC(=O)NN)[C@@H](C)O1	307706499	ZUVVXUGDYIIAAM-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
O=C(CCl)NC[C@H](O)[C@H]1CCOC1	308370094	KIZDUBXFGKETSF-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
COC[C@@H](C)NCC(=O)NNC(=O)C1CC1	309496570	YNPPZFQTJURTNT-SSDOTTSWSA-N	229.280	-0.832	50	10	BBGE	
CCOC(=O)/C(C#N)=C/Nc1nc(=N)[nH][nH]1	380997866	NCWVEAZGZVMDKJ-SNAWJCMRSA-N	222.208	-0.400	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1	381302562	GIQPEKZHSWZBMB-UHFFFAOYSA-N	247.232	-0.958	50	10	BBGE	
CCC(CC)(CO)NCC(=O)NNC(C)=O	381538143	GOOTVRGWSDQORR-UHFFFAOYSA-N	231.296	-0.706	50	10	BBGE	
CC[C@@H](O)CN=c1[nH]c(CCl)nc(=N)[nH]1	389629536	LSGJWPDLNKNSPU-RXMQYKEDSA-N	231.687	-0.372	50	10	BBGE	
O=[N+]([O-])c1ccc2ncc(B(O)O)cc2c1	390381912	ZXOJJHBSHJFXOL-UHFFFAOYSA-N	217.977	-0.177	50	10	BBGE	
CC[C@@H](CO)N(C)[C@H](C)CCC(=O)NN	393282879	HRMWSSYDRNUCRO-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
OB(O)c1c(OC(F)F)ccc2nc[nH]c12	396040517	MBMLYLXUQQNFOG-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
C[C@H](CN(C)[C@H](C)C[S@@](C)=O)C(=O)NN	399986060	QWPVZMJBSDRXDG-KDZIRCDLSA-N	235.353	-0.689	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@@H]1CCCOC1	401363912	DDYHXNKTBRGPCC-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)Cc2cccc(B(O)O)c2)CO1	401476882	SBPIGHNGFYUTRJ-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN)C[C@H](C)O1	606275764	LPFVTUFTDDYIOT-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](C#N)C1	693986246	NFFKQHRGVKQJHR-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
CC[C@H](OC[C@@H](COC)OC)C(=O)NN	695709773	LIEXPLJGILXFNN-SFYZADRCSA-N	220.269	-0.567	50	10	BBGE	
CN(CCCl)C(=O)c1nnn(C)n1	697202569	ZMDDCWDAHBOWEH-UHFFFAOYSA-N	203.633	-0.479	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2cnn(C)c2)c1	699671140	QTTSGBLHYRTQCO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CCCO2)C1	702937598	DROKKSXHWHRCLO-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1COCC[C@@H]1O	710947592	USZIOSOHGCSMGF-ACZMJKKPSA-N	207.657	-0.120	50	10	BBGE	
CCC(=O)N1Cc2cccc(B(O)O)c2C1	713231425	DRNCDPFVSSFLEH-UHFFFAOYSA-N	219.049	-0.381	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](F)[C@@H](F)C1	714558878	RROZNRWGHXEMDW-BIIVOSGPSA-N	221.251	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSCC1	725663100	BKQVSLCNUGZCHW-JGVFFNPUSA-N	215.322	-0.339	50	10	BBGE	
Cc1c(C(=O)NNC(=O)[C@@H]2C[C@H]2C)nnn1C	743340026	XJKCESLNPKFXRA-IYSWYEEDSA-N	237.263	-0.459	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCCC12CC2	863903966	ZAZKBJAWUXOWOM-ZETCQYMHSA-N	212.249	-0.294	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@@H](C)CO2)n1C	898975038	GJGHFCUTYCIXFP-HTRCEHHLSA-N	239.279	-0.008	50	10	BBGE	
CC1(CO)CN(S(=O)(=O)CCCl)C1	1253456157	JEMQFSOAGKGFPJ-UHFFFAOYSA-N	227.713	-0.131	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	1299011728	XBNKKIDEVLFLFN-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)N[C@H]1CC12CC2	1326212456	XEUGHXDAAIMAAG-ZETCQYMHSA-N	247.258	-0.027	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)c1ccc[nH]1	1587351234	AZTKIMSAJGHLNI-MRVPVSSYSA-N	235.243	-0.186	50	10	BBGE	
C[C@H](O)C(=O)NCCSSCCN	1882337071	WGSMDEGALPYGTO-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1883633787	CGXYTUAZBVYIME-VQVTYTSYSA-N	207.657	-0.263	50	10	BBGE	
CS(=O)(=O)[C@H]1CCN(C[C@H](O)CCl)C1	1885396090	DZEGQMSTINLUPO-SFYZADRCSA-N	241.740	-0.295	50	10	BBGE	
CCC(C)(C)CN(C)C(=O)C(=O)NN	1885799979	OWHBWCWMRPWYKC-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCN1C	1886783497	LRCJSUXVPWWWIO-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@](CO)(NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893468988	DQDTYRYIQJPUPE-OKMMGKLZSA-N	221.640	-0.435	50	10	BBGE	
Cc1ncnc(OC[C@@H]2C[C@H]2C)c1B(O)O	1897616565	QISCBEFUBRDPAL-SVRRBLITSA-N	222.053	-0.500	50	10	BBGE	
CN(NC(=O)[C@]1(C)CC[C@H](N)C1)S(C)(=O)=O	1901374472	UODYPXMAIRKDNN-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CNC1CC1)C(=O)NN(C)S(C)(=O)=O	1901378425	ZYXQDPQLFYCNEF-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](COc1cccn(C)c1=O)C(=O)NN	1901436365	OPOVRWVWLLRWOK-ZETCQYMHSA-N	225.248	-0.610	50	10	BBGE	
NNC(=O)C(=O)NC[C@]1(Cl)CC1(F)F	1904922202	FJQDXDWZYISGNW-RXMQYKEDSA-N	227.598	-0.891	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCOc1ncncc1B(O)O	1908603030	NHVRXVPKPXKXQP-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
C[C@H](CN1C(=O)C(=O)c2ccccc21)C(=O)NN	1912236422	WJSLGDYIYYIMRP-SSDOTTSWSA-N	247.254	-0.158	50	10	BBGE	
CC(=O)NNC(=O)CSC(=N)N1CCCC1	1920929518	HZHRKTZTAMNHJK-UHFFFAOYSA-N	244.320	-0.083	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)CCl	1923924383	IAZWUIAXOGVNMQ-BYPYZUCNSA-N	214.674	-0.982	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCO)CCC(C)C	1924503709	ZRCXQUVSKPJGRI-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
COC[C@@H](CCl)NC(=O)Cn1cncn1	1928692362	NSCYEGJUNCEKPC-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
C[C@@H](C(=O)NNCCO)[C@H]1CCCCO1	1929835893	ZJHFKRCKBKECRC-RKDXNWHRSA-N	216.281	-0.195	50	10	BBGE	
C[C@@H]1C[C@@H]1OC[C@@H]1CC[C@@H](C(=O)NN)O1	1932202536	CGBIFXDRBUGICY-XGEHTFHBSA-N	214.265	-0.051	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C(N)=O)C1CC1	1932387474	WHJARFFNDYZBLX-NJGYIYPDSA-N	204.657	-0.006	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCOC1(C)C	1933167126	MMHUKZNZYLUWAM-ZCFIWIBFSA-N	215.253	-0.998	50	10	BBGE	
Cn1cc([C@H]2CS(=O)(=O)C[C@H]2Cl)nn1	1934429486	YTTVHKWMTYZIPS-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
C[C@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1=O	1935941856	LKEPWKBPRAGPMP-BYPYZUCNSA-N	235.190	-0.993	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935942718	VJQKKZYAAVSLFM-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)CCN1C	1935944681	NNGQBVYBADJZRM-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@@H]21	1938600023	NMTYWUOCVRTCOQ-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O=C1CN(CCOC2CCOCC2)CC(=O)O1	1940390064	ZBCILNUVGXKHBA-UHFFFAOYSA-N	243.259	-0.433	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H](CO)C(C)(C)C	1941072032	HSXIBWQFLYJULD-GUBZILKMSA-N	243.351	-0.049	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1944713770	OPLATWKASKGHDB-BDAKNGLRSA-N	241.335	-0.152	50	10	BBGE	
COCC[C@H](C)C(=O)N1CC[C@H](B(O)O)C1	1951321832	IQGBNSBGIAVMNE-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)COc1ccccc1O	1952987780	RQBAHXUVQGGMJJ-IONNQARKSA-N	208.217	-0.017	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H]1CCl)C1COC1	1954307391	CANPKBZFGZGCLA-FSPLSTOPSA-N	225.697	-0.068	50	10	BBGE	
NC(=O)[C@H]1CCN(C[C@@H](O)CCl)C1	1954822092	JUKBQDZEWIIOGV-BQBZGAKWSA-N	206.673	-0.607	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2CCC[C@H]21	1956782337	QIWUBDPZIVQZOY-SFYZADRCSA-N	215.322	-0.054	50	10	BBGE	
O=C1NC[C@H]2CC[C@H]1N2C[C@@H](O)CCl	1956943787	RNAKUIYKWUIHIS-GJMOJQLCSA-N	218.684	-0.451	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@H]2CNC[C@@H]21	1957255823	IZOBQQYBJVERJV-CIUDSAMLSA-N	215.684	-0.210	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ncno1	1958695621	TXVUGIFKZXTMQW-ZCFIWIBFSA-N	213.241	-0.730	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CF)(OC)C1	1961043616	XQXFOROCKDDSJC-SSDOTTSWSA-N	219.260	-0.575	50	10	BBGE	
CP(C)(=O)[C@@H]1CCCN(C(=O)C(=O)NN)C1	1976328900	GOKRVHHESHHHRH-SSDOTTSWSA-N	247.235	-0.410	50	10	BBGE	
CON(C[C@@H](C)C(=O)NN)C1CCOCC1	1978745281	BLCJLWOCKJCXLN-MRVPVSSYSA-N	231.296	-0.345	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCC(F)F	1979436885	NZVQMDCOXXGMEG-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@H](O)C1	1980521913	VIBPGGIJCKOSRO-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
C[C@H]1C[C@H]1OCc1nn(C)cc1C(=O)NN	1980591767	BPHALLSBBBBRQA-IMTBSYHQSA-N	224.264	-0.051	50	10	BBGE	
CCN(C)C1CN(CC2(C(=O)NN)CC2)C1	1980600710	ANCDROOPVKOHJR-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
CC[C@@H](O)[C@@H]1CCCCN1CCC(=O)NN	1980853998	GPQCRXSGMKXGCW-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](F)[C@H](F)C1	1981423970	MCJLLZIVRUATTA-OCAPTIKFSA-N	228.007	-0.742	50	10	BBGE	
OB(O)c1csc(OC[C@@H]2CCCOC2)n1	1981424980	BAJURXSWOIVXPE-SSDOTTSWSA-N	243.093	-0.372	50	10	BBGE	
NNC(=O)c1sncc1CN1CCOCC1	1981730889	XKQNSRJRFRFGFZ-UHFFFAOYSA-N	242.304	-0.421	50	10	BBGE	
C[C@H](CN(C)C[C@H]1[C@H]2OCC[C@H]12)C(=O)NN	1983238453	JQDDSYYEQRSUIN-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
COCCN(C)C[C@H]1CC[C@@H](C(=O)NN)C1	1985357283	NMRWHIXPKYUOQL-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@H]1CF	1985767803	RFKPWEKBXSASNK-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CCOC(=O)N[C@@H](C)c1nscc1B(O)O	1987175627	QMYDKSQGFUFCCN-YFKPBYRVSA-N	244.081	-0.370	50	10	BBGE	
NNC(=O)CCN1CCC(C2(O)CC2)CC1	1987342476	XPTJZQAZLZTGAT-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSC(C)(C)C1	1990775258	TXDSOLJRRZHJNJ-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
C=C(CN(CC)Cc1cnn(C)c1)B(O)O	1992144566	BMACONCZFNDZCW-UHFFFAOYSA-N	223.085	-0.190	50	10	BBGE	
C=C(CN1CC[C@@H](N2CCCC2)C1)B(O)O	1992152993	KFDHWWRJOMHCBU-LLVKDONJSA-N	224.113	-0.275	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@@H]1CSC2	1993714197	SLEARMHPQMPCQF-GMSGAONNSA-N	243.332	-0.374	50	10	BBGE	
Cc1ncc2c(n1)CN([C@@H](C)C(=O)NN)C2	1994940490	TVIWBKZJTUJKKW-LURJTMIESA-N	221.264	-0.521	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(=O)N2CCC[C@@H]2C1	1996428434	ZUUKEMDUKMNOBZ-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
CCC[C@@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	1998131234	SSNOEKROPZXQOI-RNFRBKRXSA-N	246.072	-0.600	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12COC[C@H]1C2(F)F	1998717067	ZZZGBEDHZFOICN-VXNVDRBHSA-N	249.261	-0.420	50	10	BBGE	
COCC[C@@H](COC)N(C)C[C@H](C)C(=O)NN	2001424533	DCUBWSBKSQHDBY-UWVGGRQHSA-N	247.339	-0.404	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCn1ccnc1	2003834856	JRKIQVOTIFSBNT-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
OB(O)c1cncnc1N1CC(C2CCC2)C1	2004917769	YHXMCOQDKBVWOR-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
CC[C@@]1(C)CCN(c2ncncc2B(O)O)C1	2004920453	KEOGBXRMEPDQOL-NSHDSACASA-N	235.096	-0.217	50	10	BBGE	
COC[C@H](Oc1ccncc1B(O)O)C(C)C	2004951560	NMJZZOLZYDELET-NSHDSACASA-N	239.080	-0.189	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H]3C2)ccc1B(O)O	2005016397	ORNZKWLDWDDBDK-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C=CCCN2)CC1	2011301127	GDZQNCIFUOMZQD-SNVBAGLBSA-N	235.287	-0.218	50	10	BBGE	
C[C@H](COCCCC(=O)NN)N1CCOCC1	2013802098	MTFICPXTQFXYRY-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2[C@H]3COC[C@H]32)c1	2015129115	XBRPEJMZSDLKLH-GDNZZTSVSA-N	234.060	-0.362	50	10	BBGE	
CCc1cccnc1Cn1ccc(B(O)O)n1	2017890416	MONKPLPGAKYCDA-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCCC[C@@H]1F	2020493796	MXVRCEYFTBHYLU-DTWKUNHWSA-N	240.043	-0.184	50	10	BBGE	
CN(C)[C@H]1CCCN(c2ccncc2B(O)O)C1	2052499281	QQHHLINLAPIUIO-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]1CN(C)C	2052622030	ORYBQZUVEVDYSX-LLVKDONJSA-N	249.123	-0.790	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@@H]3C[C@@H]32)n1	2052624126	DALQKNKLQIOJRJ-ZJUUUORDSA-N	247.107	-0.238	50	10	BBGE	
CN(C1CC1)C1CN(c2ccc(B(O)O)cn2)C1	2052830594	CDDZDHMLJQXEDI-UHFFFAOYSA-N	247.107	-0.956	50	10	BBGE	
N#CCCCCNC(=O)c1ccccc1B(O)O	2079008585	LFSIDUKMIGFXAF-UHFFFAOYSA-N	246.075	-0.210	50	10	BBGE	
Cc1c[nH]nc1NC(=O)c1ccc(B(O)O)cc1	2079009853	KZDHTTFYOPEJQI-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@@H](CS[C@@H]1CCNC1)C(=O)NN	2209391640	NEKONDUAMJBWBR-NKWVEPMBSA-N	203.311	-0.293	50	10	BBGE	
CN(CCF)C[C@H]1CC[C@H]1C(=O)NN	2209906531	KKXMIHSHPHDPPZ-HTQZYQBOSA-N	203.261	-0.096	50	10	BBGE	
CCO[C@@H]1C[C@H]2CN(CCC(=O)NN)C[C@H]21	2210601703	ZXSHTRRCPVQBMN-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C(F)F	2212606617	XBAZNJPZODEBDY-LURJTMIESA-N	231.011	-0.388	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2212610227	FIFNVQGZJFWTSQ-RKDXNWHRSA-N	221.069	-0.947	50	10	BBGE	
C#CCN(CC=C)c1ncccc1B(O)O	2212611120	VMNNDQRNHSUKMJ-UHFFFAOYSA-N	216.049	-0.613	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	2215777119	QRZOBVCIDNBYFA-JXUBOQSCSA-N	235.287	-0.211	50	10	BBGE	
COC[C@]12CN([C@@H](C)C(=O)NN)C[C@@H]1CCO2	2217059622	MDIUYRCDYIVQRV-ATZCPNFKSA-N	243.307	-0.898	50	10	BBGE	
OB(O)c1ccnc(NCC2(O)CCC2)c1F	2217180791	VWDBTIJRKUXSRR-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C=C[C@H]2C3)nc1	2217200540	LHIIWZNGEGVMTP-OYNCUSHFSA-N	231.064	-0.467	50	10	BBGE	
CCCC[C@H](CN)Nc1ncccc1B(O)O	2217202524	KOJZWOPZJGLFNE-SECBINFHSA-N	237.112	-0.309	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(n2ccnc2)C1	2221570498	BEDBYVCSROKQCW-GXSJLCMTSA-N	249.318	-0.244	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC=CCO2)cc1B(O)O	2223652091	GLUWDEUORHXTPH-JTQLQIEISA-N	248.091	-0.173	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCC3(CC3)NC2)nc1	2223658311	MBDFONXIZPNDER-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
NCCC1CCN(c2ncccc2B(O)O)CC1	2223665755	IBPJGXVRSIDJAM-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2223669329	IMWXDDVHEZVWQA-IANFPDNMSA-N	248.091	-0.810	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243356713	LZUDHOHYCOAKQJ-POYBYMJQSA-N	222.053	-0.777	50	10	BBGE	
O=C(Nn1cccc1)c1ncsc1B(O)O	2243357974	AEHUOKDJJIBCAY-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
O=C(NCCn1cccc1)[C@H]1C[C@@H]1B(O)O	2243391957	PRYPHNNTTWMRMN-IUCAKERBSA-N	222.053	-0.533	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccoc1B(O)O	2243400365	ZXLDEOLIMVYXER-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
CN(CC1CC1)C(=O)c1cscc1B(O)O	2243410806	IFJFRLYTPGJOLT-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H]1CC[C@H]1C)B(O)O	2243412981	WYNCRQXIGAAYCS-VXNVDRBHSA-N	247.125	-0.385	50	10	BBGE	
Cc1csc(C(=O)NOC(C)C)c1B(O)O	2243415487	VZGJHNJGDOQDJV-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243791240	YURTYJRLENWWKC-CBAPKCEASA-N	227.069	-0.465	50	10	BBGE	
C=C1CON(c2cc(B(O)O)c(Cl)cn2)C1	2245913741	XJIAFYGOBDTHGV-UHFFFAOYSA-N	240.455	-0.277	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)C2CCC2)n1	2247229569	YCDXICXMNFPBFE-UHFFFAOYSA-N	236.080	-0.241	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(CCO)c1	2247741792	FYLDXXNHKPTQNM-UHFFFAOYSA-N	233.032	-0.825	50	10	BBGE	
CCOC(=O)C1CN(C(=O)C2(B(O)O)CC2)C1	2247750480	KCMCNCDUQIGXOS-UHFFFAOYSA-N	241.052	-0.985	50	10	BBGE	
O=C(N(CCO)C1CCCC1)C1(B(O)O)CC1	2247754421	CYQQDVRSPUJLEN-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)cn1C	2247762695	GLFZUEKGJSEZEH-IONNQARKSA-N	236.080	-0.767	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1C[C@@H]1B(O)O	2247791998	PSKDRNVWPJHZOF-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
C=CC[C@@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792668	UJFNQICUCPNZSH-BBBLOLIVSA-N	241.096	-0.460	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCNC1	2247797106	GFQSBLQCURUZPE-KKZNHRDASA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797747	MNHVEOFMXZTPAR-XKNYDFJKSA-N	240.112	-0.422	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247798530	VETFSRHVIGHYGG-BGZDPUMWSA-N	241.096	-0.485	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247799588	FUZLREZTBYCQLR-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
CC(C)N(C)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2247800031	KNOAJVQVVZESEF-VHSXEESVSA-N	242.128	-0.304	50	10	BBGE	
O=C(N[C@H]1CNC[C@H](F)C1)[C@H]1C[C@H](B(O)O)C1	2247801050	WKHPGSZDCQVOJP-FNCVBFRFSA-N	244.075	-0.944	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C	2247808008	JQYRJMCKWFJHJC-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CN2CC[C@H]1C2	2247809749	QZXPZWSGTSGGAF-QCLAVDOMSA-N	238.096	-0.988	50	10	BBGE	
CCC(CC)CNC(=O)c1cc(B(O)O)c[nH]1	2247847943	DTXMFEVDSULXMQ-UHFFFAOYSA-N	238.096	-0.140	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CCC2)CN1	2247852997	DRMRGRLSJRCCJS-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
O=C(Nc1cnccn1)c1coc(B(O)O)c1	2247871519	CLIPHXUQSKEUEQ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879704	VBQBKEOKJXNMTF-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCCc1ncc[nH]1)[C@@H]1C[C@H]1B(O)O	2247897683	WBXFQIXAGKPMIT-HTQZYQBOSA-N	237.068	-0.679	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247898552	FMBDJNFYTYPVSP-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900778	ZNUJOGGTWDENMM-GUBZILKMSA-N	243.112	-0.380	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248576004	IMXRDNUQCMSNCF-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248589033	LEVVYLAGHOJLHB-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
COCC(COC)CN1CCC(B(O)O)CC1	2249378023	KIBXMUIBEGYTSE-UHFFFAOYSA-N	245.128	-0.166	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2cncc2C1	2249738241	HIWROWFZKKCLRS-BDAKNGLRSA-N	237.307	-0.287	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CN3CCCO3)(C1)OC2	2251800562	KQPKARPYZFVARH-QWRGUYRKSA-N	241.291	-0.447	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1coc(B(O)O)c1	2255454030	UPNVBPZOYILPAZ-SNVBAGLBSA-N	249.075	-0.263	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(C)ccc1B(O)O	2255514389	HXWJQMMPNPWMHU-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)c2ccccc2B(O)O)C1	2255525482	DVRBQIBWRTYMJO-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@H]1B(O)O	2255564816	RJOKKPVQJSWZLT-DVVUODLYSA-N	248.091	-0.008	50	10	BBGE	
O=C(Nc1ccccn1)c1ncccc1B(O)O	2255715290	CTYKOGJBJZEOQQ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2255722348	NKXMNAXVABLWQT-WPRPVWTQSA-N	246.075	-0.614	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1C=CCC1	2256598355	PMQLMNFKEURQBU-NSHDSACASA-N	245.087	-0.051	50	10	BBGE	
C#CCCC(=O)NCCc1ccccc1B(O)O	2256640181	NMBMNTYTBLFNJV-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
CC[C@@H](C)N1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368861	AOBVCACPHLZJMS-QNSHHTMESA-N	240.112	-0.552	50	10	BBGE	
C[C@@]12CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@@]1(CO)C2	2298369675	BFXNKDFIUZKQQK-YJFSRANCSA-N	239.080	-0.920	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370420	YIHPOFRGKAYBKY-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C(=O)CCC1=O	2300386327	ZYFBSAASZNQXNM-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1[C@@H]2COC[C@H]1C2	2300405063	YNOVLERNJZWYGS-ZNSHCXBVSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)CCCCCCN1C[C@H](F)[C@H](O)C1	2300624569	CSMARUPEUVNRNR-VHSXEESVSA-N	247.314	-0.059	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1cccc(B(O)O)c1F	2301588432	KLBBTHPEZNMUCQ-MRVPVSSYSA-N	241.027	-0.785	50	10	BBGE	
CC(C)c1ncccc1CNC(=O)C(=O)NN	2303000600	DIPRTSDHCQURHA-UHFFFAOYSA-N	236.275	-0.189	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCc2ncno2)C1	2303162280	RRAZTJBGHMYBSX-JTQLQIEISA-N	239.084	-0.059	50	10	BBGE	
C#CC1CC(Nc2cc(B(O)O)c(F)cn2)C1	2303835069	QEDGYDAFQIWSNU-UHFFFAOYSA-N	234.039	-0.276	50	10	BBGE	
COC(=O)NC1CN(CC(C)(C)C(=O)NN)C1	2306929565	SQTHVTJDUCFCOE-UHFFFAOYSA-N	244.295	-0.957	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2312857337	LWCZWFMIFPZALG-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
CCOCCC(=O)NNC(=O)CCC(=O)O	14663179	ZKEUJYGFEONJJB-UHFFFAOYSA-N	232.236	-0.575	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)[C@H](C)Cl	37226252	JNQQGLQBYKUTLR-CRCLSJGQSA-N	209.629	-0.736	50	10	BBGE	
NNC(=O)Cn1c(N)nc2ccccc21	38301993	AZBOBMJTLKHCET-UHFFFAOYSA-N	205.221	-0.392	50	10	BBGE	
CN(C[C@H](O)CO)C(=O)NCCCl	60265524	IUFNSOSJFZRPRI-LURJTMIESA-N	210.661	-0.780	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)CCO1	82467640	JIFSGYVXVARJNZ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCN(CC)C(=O)CN(C)[C@@H](C)C(=O)NN	82470408	WRNLGFYLQDXNID-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
COC[C@H](Cl)CNS(C)(=O)=O	83212651	RVAIUBLGBJKONU-RXMQYKEDSA-N	201.675	-0.211	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCCCO1	83590823	ZCYDHYQMCVGORR-YFKPBYRVSA-N	203.267	-0.580	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H](C)CN	85336705	DPFYVIJNCFEUPB-ZCFIWIBFSA-N	219.310	-0.518	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)CCN	85346384	GKPCBUVWXRXKDY-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)C(=O)[C@@H]1C	118097310	LXJSAOXWGRZWOH-OLQVQODUSA-N	213.237	-0.993	50	10	BBGE	
O=C1O[C@H](CBr)[C@@H](O)[C@H]1O	139137695	MYRODPRKOYUJTI-BXXZVTAOSA-N	211.011	-0.972	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@H](N)C1	203221956	KTQAROMEBYVUIC-WDEREUQCSA-N	234.303	-0.249	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1[C@@H](C)C(=O)NN	216300155	WOJSJIVOOUGDIY-RNJXMRFFSA-N	201.270	-0.526	50	10	BBGE	
CO[C@@H](C)COc1cc(F)ccc1B(O)O	228583164	OPWRMPDKFSGKET-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CCN(C)C(=O)[C@@H](C)NC(=O)NC(=O)CCl	231874812	BKLXNTBHXDPPMZ-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
O=C1NC(=O)[C@H](Cl)[C@H]1c1cncnc1	232095564	GYHPRWHDWKXLIU-PHDIDXHHSA-N	211.608	-0.176	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC(C)(C)C1	232419253	VQARKWDHYDEDGY-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1F)C(F)F	238640893	AJRFSDLSXCZIEL-ZETCQYMHSA-N	218.971	-0.230	50	10	BBGE	
O[C@@H]1CO[C@H]([C@@H](Cl)CCl)[C@@H]1O	238678097	CMNHSCHIWCYDLB-SLPGGIOYSA-N	201.049	-0.047	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)C(C)(C)C1)C(=O)NN	304490351	CUCAULSTMOOIBV-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@](O)(CO)C1	306170445	SDGWCQJPXCTOCC-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
CC(C)[C@H]1OC[C@@H](O)/C1=N/NC(N)=O	306285368	UHZIUUZNHUYJNN-AXAYMFRVSA-N	201.226	-0.574	50	10	BBGE	
O=C1NCNN2C[C@@H](Br)C[C@@H]12	306340078	WABZRQVXKBLBAV-WHFBIAKZSA-N	220.070	-0.584	50	10	BBGE	
O=C1NCN[C@@H]2C[C@@H](Br)CN[C@H]12	306962158	BUILLGUUARROIS-PBXRRBTRSA-N	234.097	-0.843	50	10	BBGE	
CCC(CC)NCC(=O)NNC(C)=O	308626402	WRZGYXUHBDQQMR-UHFFFAOYSA-N	201.270	-0.068	50	10	BBGE	
CN(C)CCCc1ccc(B(O)O)cc1	313894110	RYVHMMUUMABMKC-UHFFFAOYSA-N	207.082	-0.139	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@H](C)Cl	379365503	JMODWJVFJPEOQI-BQBZGAKWSA-N	209.673	-0.185	50	10	BBGE	
COC[C@]1(C(=O)NN(C)C)CCNC1	393690925	PNWDFXCZYNDNSY-VIFPVBQESA-N	201.270	-0.795	50	10	BBGE	
C[C@@H]1CC(=O)N(CCC(C)(C)C(=O)NN)C1=O	395613542	LKYRJZQJJDBMNJ-SSDOTTSWSA-N	241.291	-0.212	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCc2cnn[nH]2)[nH]1	398367229	MWTNGSAZPLDFBB-UHFFFAOYSA-N	240.658	-0.825	50	10	BBGE	
C[C@@H](CN1CCOC[C@H](C)C1)C(=O)NN	399673978	OMOYBSVPQRWGQQ-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)no1	404952042	SVIXNMLXALIPIZ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](CN(C)C)C1)C(=O)NN	405143860	WSADJMFWYPIHDR-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
Cc1cc(B(O)O)ccc1N[S@@](C)=O	405145507	MIRZMKJXWMWGNE-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
C/C=C/C=C/C(=O)NNC(=O)c1cnn[nH]1	491520531	NOHWXDJDHTVSDG-MQQKCMAXSA-N	221.220	-0.302	50	10	BBGE	
OB(O)c1ccccc1CNCC[C@H]1CCOC1	585035735	YGGNUNTULVFARP-NSHDSACASA-N	249.119	-0.117	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@@H](COC)C(=O)NN)C1	689050419	YXASZAMYBRRNGC-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696773339	CAQRWRWBCKNNSQ-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CCN(CC)C1CN([C@@H](C)CC(=O)NN)C1	697804427	KKXTVYRIJMLNMX-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]2C=C[C@H]1CC2	706529415	HBGWJTNYMSIVCC-XHNCKOQMSA-N	209.054	-0.283	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@H]1CO	708080494	NROLQOVRDZZVRI-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](C)[C@@H]1CO	708470872	XNGSFVWGJYKIEJ-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)c1ncc(CN2CCOCC2)s1	711157020	BCRWTXXMOGRHSR-UHFFFAOYSA-N	242.304	-0.421	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCCCCC(=O)NN	711158451	XXDIBUHLXOFRSA-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@@H](C1)C2(F)F)C(=O)NN	715400480	GVQIPRBAHQWNPB-FSDSQADBSA-N	219.235	-0.191	50	10	BBGE	
O=C(CCl)N1C[C@H]2CS(=O)(=O)C[C@@H]2C1	725701844	QJMYLUYOXUWNBV-BQBZGAKWSA-N	237.708	-0.272	50	10	BBGE	
CSCCC(=O)NNC(=O)Cc1cc[nH]n1	730102019	IAHPXCQAUMNJQJ-UHFFFAOYSA-N	242.304	-0.147	50	10	BBGE	
CC(C)[C@@H](C)C(=O)NNC(=O)c1cnn[nH]1	733151854	LLOMSKAHIZXVPS-ZCFIWIBFSA-N	225.252	-0.142	50	10	BBGE	
COCC(=O)NNC(=O)N[C@H](C)C(F)(F)F	824388154	MRCSEXAGHCUAJP-SCSAIBSYSA-N	243.185	-0.086	50	10	BBGE	
O=C(CO)NNC(=O)C1CC2(C1)CC2(F)F	857170178	MUHUTBNGPDXSJB-UHFFFAOYSA-N	234.202	-0.439	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\c1ccncn1	1320128896	UYQONPBIKOTWNM-IHWYPQMZSA-N	221.220	-0.550	50	10	BBGE	
CCn1ncc(C(=O)NNc2cnnn2C)n1	1472569626	DXGTWHYMDXFXSZ-UHFFFAOYSA-N	236.239	-0.817	50	10	BBGE	
Cn1nncc1NNC(=O)c1cccc(O)c1O	1611383637	LOCNLSMOVXTJEA-UHFFFAOYSA-N	249.230	-0.017	50	10	BBGE	
COC[C@H](OC[C@@H]1C[C@@H]1C)C(=O)NN	1877781933	WXMWRHJDULTNKQ-FXQIFTODSA-N	202.254	-0.336	50	10	BBGE	
CNNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C	1880031200	RQMPNLGWKOTKRV-ZETCQYMHSA-N	247.295	-0.487	50	10	BBGE	
C#CCNCC(=O)NC[C@@H]1C[C@@H]1Cl	1883551220	IRRDYHMPMDISHH-YUMQZZPRSA-N	200.669	-0.047	50	10	BBGE	
C[C@H](N[S@](C)=O)c1cscc1B(O)O	1886862850	QWNIHLNNONAZCE-UWORMDEDSA-N	233.123	-0.628	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(C[C@H](O)CCl)C1	1891943865	ZJXBLRADGUEWLU-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
CC[C@@](C)(CN1CC(O)C1)C(=O)NN	1891977812	PWQNGTLYWYXUBO-VIFPVBQESA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)N1CC[C@H](c2nncs2)C1	1892753934	SBEPYWNBTUHIGE-YFKPBYRVSA-N	213.266	-0.089	50	10	BBGE	
COC[C@@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893460391	FGZFLMWRKPJGDA-KVQBGUIXSA-N	221.640	-0.171	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1895092645	AUFJLYPNNAQHFF-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CNC[C@H]1CC(=O)NN(C)S(C)(=O)=O	1901338633	AGUXULOEGSILFY-HTQZYQBOSA-N	249.336	-0.845	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)N1CC(C#N)C1	1901348520	KIJAEOLJUCQTEK-UHFFFAOYSA-N	246.292	-0.652	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H]2CCO2)c1	1901368575	OIXYODASJXACOM-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC12CCOCC2	1902381573	OZIYLYQSPRXDQH-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2C[C@H]1[C@@H]2CO	1902403816	UOEKPUZKXJDNCY-PRJMDXOYSA-N	239.724	-0.132	50	10	BBGE	
O=C(CN1CC[C@H](B(O)O)C1)N1CCCC1	1902516391	SAGNERPDFPONSC-VIFPVBQESA-N	226.085	-0.843	50	10	BBGE	
Cn1ccnc1CN1CC[C@@](C)(B(O)O)C1	1902517581	JLMFXAHMYCRRCJ-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	1902921316	UWXAZAGUPQAHCF-KVSKUHBBSA-N	228.991	-0.838	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@@H]21	1907072831	QCNDEQPYXYUCPI-DVVUODLYSA-N	232.092	-0.004	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)[C@@H]1C[C@@H]1F	1907454984	AJJZFCTXYHKQET-VDTYLAMSSA-N	241.002	-0.198	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](N=[N+]=[N-])C1	1912183163	MAAZPSLXHOPIHR-QMMMGPOBSA-N	240.267	-0.072	50	10	BBGE	
C[C@@H](CN1C(=O)CCSC1=O)C(=O)NN	1912261822	LESVELFCUXGOFZ-YFKPBYRVSA-N	231.277	-0.302	50	10	BBGE	
COc1cccc([C@@H](N)B(O)O)c1OC	1912278410	YTZXSTHOVZIYKD-SECBINFHSA-N	211.026	-0.284	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1C(F)(F)F	1916174373	PAMRJPXHAUPGNV-WDSKDSINSA-N	241.213	-0.372	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	1916281775	RIQIAFNTDHEHAC-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2OCC[C@H]2N)CC1	1917083881	HJKGGVMAAYLWHE-NXEZZACHSA-N	221.260	-0.215	50	10	BBGE	
N#CC1(O)CCN(CC[C@H](N)C(=O)O)CC1	1921695067	XVYVQEODABELFJ-QMMMGPOBSA-N	227.264	-0.861	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)CSC1=O	1927817088	WYVBWAIGPIFYQL-UHFFFAOYSA-N	239.203	-0.693	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1NC(=O)C(=O)NN	1927830530	XKXPEGOWOOJDTI-OOJXKGFFSA-N	211.265	-0.473	50	10	BBGE	
CON(C)C[C@@H]1CC[C@H](C(=O)NN)O1	1928676694	MNWPQGQRLWCGLD-NKWVEPMBSA-N	203.242	-0.983	50	10	BBGE	
O=C(NNCCO)c1ccnc(Cl)n1	1929832715	XDQRNHVRQHOGNP-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)C(F)(F)C1	1931830144	BVTQQFNUKBPSHK-BYPYZUCNSA-N	235.639	-0.176	50	10	BBGE	
CC(C)(CN1CC[C@]1(C)CO)C(=O)NN	1932967346	MEDVGFOLXBIQCL-SNVBAGLBSA-N	215.297	-0.541	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@@H]1COC[C@@H]1Cl	1933390015	RTNQTYYYCUVBKB-RQJHMYQMSA-N	242.728	-0.364	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(CCOCC(=O)NN)C1=O	1936528933	JFUZHGSTWXKQNT-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
COC[C@@H](CCl)NC(=O)CCn1cnnn1	1937145747	MILXGPFJIHZPSV-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
CC[C@@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1937983459	GHIXEWKLYZVQIG-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
CC(C)CN(CCO)[C@H](C)[C@@H](C)C(=O)NN	1939257528	KMWFVLASZZZTNC-NXEZZACHSA-N	231.340	-0.049	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnnn1C	1939602396	VLHKCZDSQMHSST-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@]12CCOC2	1941082970	LCXQHGFAZVWTAR-UMNHJUIQSA-N	239.319	-0.133	50	10	BBGE	
C[C@@]1(CO)CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093489	GZNZBEINLOABLT-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1CCOCC(=O)NN	1941773041	RJPMASOTYLWGMB-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942116424	VJTXFWGEZSYRBN-UMNHJUIQSA-N	241.335	-0.008	50	10	BBGE	
N#CC1(O)CCN(C(=O)C23CC(N)(C2)C3)CC1	1944025798	ZHRBTWCVUJCMJE-UHFFFAOYSA-N	235.287	-0.255	50	10	BBGE	
CC[C@H]1C[C@H](C(=O)NNCCO)[C@H](C(=O)O)C1	1944215939	PBIXSFMYUMJGSC-XHNCKOQMSA-N	244.291	-0.264	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944603612	GUXGXICGOCKECN-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCC[C@H]21	1945075717	UFMUDTHONYIWAQ-ZDCRXTMVSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1nc(B(O)O)cs1	1957003305	PQLQJZKQTDZDHH-RITPCOANSA-N	212.083	-0.333	50	10	BBGE	
C=CC1(Cn2cc(B(O)O)cn2)CCC1	1960779454	IIRODIDDTXLWKC-UHFFFAOYSA-N	206.054	-0.081	50	10	BBGE	
CN(CCC1CCOCC1)CC(=O)NN	1961277153	MQCSBYTZQRVDDP-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCCOCC1	1976388045	TZVGCGWTLJNCOM-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1ncon1	1976756433	UECPIHRULMOPAS-SSDOTTSWSA-N	227.268	-0.340	50	10	BBGE	
OB(O)c1cnc(OCc2cccs2)nc1	1981429717	HGLIOJSVLWSWBC-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
C=C1CON(c2cc(C)c(B(O)O)cn2)C1	1981468573	DZSILIJABRDBAR-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2C[C@H]21	1981471805	LAJUEFLODNDVQD-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
NNC(=O)CCCCN1CC=CC[C@H]1CO	1983179894	XLXJJWZRMUDMEQ-JTQLQIEISA-N	227.308	-0.231	50	10	BBGE	
CC(F)(F)C1(Cn2ccc(B(O)O)n2)CC1	1989200919	KNAFLRXHTKWTFC-UHFFFAOYSA-N	230.023	-0.002	50	10	BBGE	
CC(C)=C(F)Cn1cccc(B(O)O)c1=O	1989652519	XEUOFEQBCSZZGS-UHFFFAOYSA-N	225.028	-0.209	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)C(=O)/C=C/C(=O)Cl	1991703076	BZXZDXPSTWJCBN-HENSLRDNSA-N	249.694	-0.102	50	10	BBGE	
O=C(NCC#CB(O)O)C(C1CC1)C1CC1	1992153262	MSOUSQKHROCLAH-UHFFFAOYSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN1C[C@H]2C[C@H]1CN2CCC)B(O)O	1992167802	PZKVOQMAJPDRPT-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	1992836372	MMXXJOGXTDKHRX-XCBNKYQSSA-N	219.049	-0.495	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(C[C@H](C)C(=O)NN)C1	1994892015	ICVJXDBCGRPAKL-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	1995617173	AHXSHKYCANVNHZ-LALMQGGXSA-N	226.276	-0.336	50	10	BBGE	
Cc1nc(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)no1	1997753037	VAEDHYXPRCQBMN-YUMQZZPRSA-N	239.279	-0.564	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2004934249	CTBDORZGFIMATN-FXPVBKGRSA-N	232.092	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C2(CCCCC2)C1	2006030902	SVHITTNAWJNXDE-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@]1(C)CCOC1	2006839169	BTXBPOBJJYXRQT-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
NNC(=O)CCCOCCCN1CCOCC1	2007025753	SAWFBDGMBYZBRU-UHFFFAOYSA-N	245.323	-0.505	50	10	BBGE	
C[C@@]1(Cn2cccc(B(O)O)c2=O)CC1(F)F	2008840843	RXIKZHZBEJYXMD-VIFPVBQESA-N	243.018	-0.427	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](CO)C2)C1	2010836152	WZFFHQHRTOJQLW-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(CCO)C2)C1	2010836338	YXUQUADKOQTDLP-ONGXEEELSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H](O[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	2012113025	MDOZPYTXBDSKCM-CIUDSAMLSA-N	239.279	-0.233	50	10	BBGE	
CO[C@H]1C[C@H]1COc1c(F)cccc1B(O)O	2014603154	BNWCICQPWVMAIK-XVKPBYJWSA-N	240.039	-0.081	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	2017623662	RRYQIQRCPVKFOZ-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1[C@H]2CCCCC[C@H]21	2021108495	BPZAXLMGIAACGQ-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
C=C(CN1C[C@]2(C)CN(C)C[C@]2(C)C1)B(O)O	2021162407	GKANOMIBPRRHPU-TXEJJXNPSA-N	238.140	-0.172	50	10	BBGE	
C=C(CN1CC[C@@H](CN2CCCC2)C1)B(O)O	2021163652	WWQYMWIBRQHZSQ-LBPRGKRZSA-N	238.140	-0.028	50	10	BBGE	
Cc1c(F)cccc1C(=O)NCC#CB(O)O	2021164455	HOHVVLSJSOGOAK-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
CO[C@H]1C[C@@H]1COCc1ccccc1B(O)O	2022711422	GBQBZTNJECCAET-PWSUYJOCSA-N	236.076	-0.082	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@@H]4C[C@@H]43)(C1)C2	2023853251	KNKIRLYMSMTAFV-UWWSSPGOSA-N	237.303	-0.380	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC[C@H]3C[C@H]32)c1B(O)O	2026073246	ZPFZVHRBBHIHPI-DJLDLDEBSA-N	234.064	-0.358	50	10	BBGE	
OB(O)c1ccc(N2CCOC[C@H]2C2CC2)nc1	2052473780	XKAAZIKVAXMBOH-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@H]2C1	2058157542	ZZOCQQSMDFSWSZ-GMTAPVOTSA-N	247.103	-0.036	50	10	BBGE	
N=c1nnc(N2CCSSCC2)n[nH]1	2209556673	WJLLNLQWKROHMF-UHFFFAOYSA-N	230.322	-0.119	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NCC=CB(O)O)O1	2210966407	WZUSPNQXAKPKNA-DTWKUNHWSA-N	227.069	-0.372	50	10	BBGE	
Cc1cnc(Sc2ncc[nH]2)cc1B(O)O	2212599676	MFMUNFVZIKYJDV-UHFFFAOYSA-N	235.077	-0.056	50	10	BBGE	
Cc1nn(CCOCCF)c(C)c1B(O)O	2212726629	MTKGEHQVKPNIRB-UHFFFAOYSA-N	230.048	-0.834	50	10	BBGE	
C[C@@H](O)CN(C)CC1(C(=O)NN)CCOCC1	2216882204	WAGOGFZCQAMTTO-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)n[nH]1	2217177683	MEZOUFQEBCNJNS-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2CC[C@H]2C)n1	2220614111	VWZZPENQCZBDFV-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CCOC[C@@H]2C3)c1	2223634808	OSPPWAZDELKBRO-CABZTGNLSA-N	248.091	-0.400	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1Nc1ncccc1B(O)O	2223643174	SGRWCDNFZDEFSC-SCZZXKLOSA-N	249.123	-0.453	50	10	BBGE	
OC[C@@]12CC[C@@H](CN1c1ncccc1B(O)O)C2	2223645790	ZCLQYIIMPIUUOO-SKDRFNHKSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N2C[C@H]3CCO[C@H]3C2)cc1B(O)O	2223650707	PYSIITZKNDRABG-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
NCCCN(CCO)C(=O)[C@H]1C[C@@H]1Cl	2241422268	ITVZTBOJGCJGTF-YUMQZZPRSA-N	220.700	-0.217	50	10	BBGE	
CS[C@@H](C)CNC(=O)C1(B(O)O)CC1	2241474262	ZPOMFNQXRVHTNU-LURJTMIESA-N	217.099	-0.139	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)C1(B(O)O)CC1	2241482043	ZUQFFPHYBISLKG-PHDIDXHHSA-N	217.461	-0.263	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(O)(CCO)C1	2241811199	MTCNWOBMBVCRQI-ZETCQYMHSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)o1	2243361679	FLQUJPSHWNZCSY-RNFRBKRXSA-N	223.037	-0.512	50	10	BBGE	
Cc1sc(C(=O)N(O)C(C)C)cc1B(O)O	2243382275	MRQKDSDISGHAAE-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396753	QKFABQRIIOJZHX-KZVJFYERSA-N	225.053	-0.691	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)cs1	2243397828	JWSCHBHYOAGAJH-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
CC(C)(C)N(CCCO)C(=O)C#CB(O)O	2243400400	AILTXCDPVGKVMN-UHFFFAOYSA-N	227.069	-0.989	50	10	BBGE	
CC#CCCNC(=O)c1ccsc1B(O)O	2243408516	ORVHQZFDXLNIQT-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
CC1CC(NC(=O)c2occc2B(O)O)C1	2243411691	YNXHYNQFCKIQMJ-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H]1CC1(C)C)B(O)O	2243413088	ZLDASNILPCFZON-MRVPVSSYSA-N	247.125	-0.385	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427133	QWJXSFHKNQNBNW-PYHGXSLLSA-N	227.069	-0.467	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCNC1	2243427276	SOLJFKRDCRIHRT-NRPADANISA-N	226.085	-0.892	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@@H]1C(=O)NN	2243989088	PVEOUTHCPFGGNL-ZJUUUORDSA-N	227.308	-0.419	50	10	BBGE	
O=C1C[C@@H](CN2CCC(B(O)O)CC2)CN1	2244180422	NDCVZSPLQGLGLU-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2244206289	UOEHMJZANFHWJI-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C=CC[C@@]1(CO)CCCCN1CC(=O)NN	2244826220	HDSGJCDEPYIZIN-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
Cc1cccc(C)c1CNC(=O)C#CB(O)O	2247742196	LWCPAQLNVBSBIB-UHFFFAOYSA-N	231.060	-0.065	50	10	BBGE	
Cc1ncccc1CCNC(=O)C#CB(O)O	2247747139	JMOCCPXCPWVZSZ-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
N[C@@H]1CCN(C(=O)C2(B(O)O)CC2)CC1(F)F	2247754209	CSHXGTQMKGKFHX-ZCFIWIBFSA-N	248.038	-0.812	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CO1	2247757249	PWLYYRXLZVVBIF-IUCAKERBSA-N	241.096	-0.077	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787021	JYIUOJDNDKUCCG-UYXSQOIJSA-N	237.064	-0.223	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC[C@@H]2C[C@H]2CC1	2247847442	XHFGPPKKFQTNRC-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@@H]1C(F)(F)F	2247849154	WDAFDPAJLGSZDS-RQJHMYQMSA-N	248.997	-0.294	50	10	BBGE	
C[C@@H](N(C)C(=O)C#CB(O)O)[C@]1(C)CC1(F)F	2247850297	MPNHBBHQCMPQJF-APPZFPTMSA-N	245.034	-0.106	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H](F)C1	2247852799	ZTYBKCHURMAWDS-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1occc1B(O)O	2247853041	FPJJUUOYEXVGBG-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247854513	DMMVVDDEKHSFTR-XHNCKOQMSA-N	241.096	-0.531	50	10	BBGE	
O=C(N1CCNCC12CC2)C1(B(O)O)CCC1	2247874070	ISYMCFIYHLNCGJ-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H](C)CF)c(B(O)O)c1	2247875400	XUTYLGYSYYLTTH-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
O=C(N1CCOCC2(CC2)C1)C1(B(O)O)CC1	2247878920	QFYBXATWTOYABX-UHFFFAOYSA-N	239.080	-0.368	50	10	BBGE	
CC(C)N(C)C(=O)c1ncc(B(O)O)cc1F	2247879601	WFAMGEPHHJGJJP-UHFFFAOYSA-N	240.043	-0.619	50	10	BBGE	
CN1CC[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894011	BHTALAOXXSFYOO-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CO1)[C@@H]1C[C@H]1B(O)O	2247898995	JIUMRFUOPDTEOX-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCCNC1	2247899878	QZDUNZKTXJEPCC-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC(C)(C)N(CCC(=O)O)C(=O)C#CB(O)O	2248576251	FZAJFXRELWXLQV-UHFFFAOYSA-N	241.052	-0.896	50	10	BBGE	
O=C(O)C[C@@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248588446	CTWSHNKJGWQIAL-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
Cc1ncnc(O[C@H]2C=CCCC2)c1B(O)O	2249276540	WZIGBAGEBYWGCJ-VIFPVBQESA-N	234.064	-0.048	50	10	BBGE	
CCC1(N(C)C(=O)c2cc(B(O)O)co2)CC1	2249406074	BBIHERRMHXCWND-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
Cc1c[nH]nc1NC(=O)c1cc(B(O)O)co1	2249412583	XVEWVVSPGVYOJX-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2249416536	TUIMNRCPJUQSLW-XCBNKYQSSA-N	237.064	-0.266	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@H]2C[C@H]21	2255453492	QMDHRBMHESNTPG-WCBMZHEXSA-N	249.075	-0.108	50	10	BBGE	
Nc1cccc(NC(=O)c2ccoc2B(O)O)c1	2255467716	QUQKXWNCLXQGME-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC(C2CC2)C1	2255499188	DYHBBYPWRMEIIN-UHFFFAOYSA-N	248.091	-0.813	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2255520382	JXTJVXZPSNSUNB-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C(=O)[C@@H]2CCC[C@H]21	2255716129	APTRRTRLHBYQBF-HTRCEHHLSA-N	249.031	-0.890	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1O	2255935658	FLGVILBNSVCUDI-VIFPVBQESA-N	247.059	-0.786	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166177	YGKXTGLHINSSMN-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369529	XRFXOEOTUUUKBB-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298369871	IBTMRZNKGHFRSW-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
C#CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298371200	CINFNHBNXOSJHH-IVZWLZJFSA-N	237.064	-0.900	50	10	BBGE	
CC[C@H]1CCNC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371661	RGUURIYXTIFBOG-SGIHWFKDSA-N	240.112	-0.646	50	10	BBGE	
Cc1ncnc(OC2[C@@H](C)C[C@@H]2C)c1B(O)O	2301273276	BNQWXFPZDFVWTG-BQBZGAKWSA-N	236.080	-0.112	50	10	BBGE	
O=C([C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)N1CC[C@@H](B(O)O)C1	2303110947	FMDSYJBOBZIPII-UPMLMMEUSA-N	235.092	-0.036	50	10	BBGE	
CC[C@](C)(CN1CC2(CC[C@H]2O)C1)C(=O)NN	2303426622	PLDKXJCIGCVAJB-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@H](F)C1	2307171691	AXPXDOBDAQSBBD-LJGSYFOKSA-N	241.027	-0.502	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1c1ncno1	2307494994	BGDMJYWLZZMFFP-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC[C@H]1C(F)(F)C2	2307542208	HZJWONMHMBXREO-YUMQZZPRSA-N	243.018	-0.352	50	10	BBGE	
C#C[C@@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317162870	MHFNXJPHYBIFDM-SNVBAGLBSA-N	240.071	-0.302	50	10	BBGE	
O=Cc1ccc(NCc2ncno2)cc1B(O)O	2317349617	GEGKWQUOUMYHLB-UHFFFAOYSA-N	247.019	-0.826	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCCCCO	58839865	YIDDMHCZGDOOMK-QMMMGPOBSA-N	203.286	-0.493	50	10	BBGE	
COCCOCc1csc(C(=O)NN)n1	82463645	PPXLSHBFAMSKHK-UHFFFAOYSA-N	231.277	-0.090	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](C)CC(=O)NN	82470269	XTKRVLCCROXLPU-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
C/C(=N\N)c1c(C)[nH]c(C(=O)NN)c1C	103663974	BQNWPEHYNXXFOJ-AWNIVKPZSA-N	209.253	-0.082	50	10	BBGE	
C[C@H](Oc1cccc(F)c1C(N)=O)C(=O)NN	113171884	FNWCFVDCBFAONL-YFKPBYRVSA-N	241.222	-0.318	50	10	BBGE	
CCN(CCCO)Cc1cc(C(=O)NN)no1	165708489	LWZXWLBIDPJYRB-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
CN(CCCN)Cc1ccccc1B(O)O	202281617	AWIHTQDOTAWWDQ-UHFFFAOYSA-N	222.097	-0.853	50	10	BBGE	
C[C@H](O)CSc1cccc(B(O)O)c1	203610680	BAQXVDBRJKXJEE-ZETCQYMHSA-N	212.079	-0.161	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@@H]1CCOC1	211144882	LUFXKQUTPITSHE-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
Cc1c(Cc2ccccc2)c(B(O)O)nn1C	220655131	APCARZOOTPMKAO-UHFFFAOYSA-N	230.076	-0.001	50	10	BBGE	
OB(O)c1cncc(O[C@@H]2CCCOC2)c1	224915560	SDDYUQSBQVOXHV-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230357034	OYFJKZJYYFEXDP-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](NC(=O)NC(=O)CCCl)C(N)=O	231058828	QEVATTIHFKIIOG-ZETCQYMHSA-N	249.698	-0.049	50	10	BBGE	
COC[C@@H](Cl)CNCc1nnn(C)n1	234691665	ZJCAELLQUWPUHY-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
COc1cc([Si](C)(C)C)ccc1B(O)O	238427445	PZGMRERBCUIRFM-UHFFFAOYSA-N	224.141	-0.080	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@H](N)C[C@@H]2C1	238597023	JQFMQNISVXCKKX-NTSWFWBYSA-N	207.189	-0.819	50	10	BBGE	
OB(O)c1c(O)cccc1OC(F)(F)F	238614022	WMRPVAQSFCFIEY-UHFFFAOYSA-N	221.927	-0.029	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)[C@H](C)CO1	250663840	RBZJMRQAQVTIDJ-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
O=C(NN=Cc1ccccn1)c1ccc(=O)[nH]n1	254491867	QVFDRESQFNDHST-UHFFFAOYSA-N	243.226	-0.071	50	10	BBGE	
Cc1nc2cc([C@H](N)C(=O)NN)ccc2[nH]1	259037040	SHECKYBOQKOGMD-VIFPVBQESA-N	219.248	-0.139	50	10	BBGE	
CN1CCC[C@@H](C[C@H](N)C(=O)N(C)N)C1	259040602	KRSOKMUAOSOJLQ-IUCAKERBSA-N	214.313	-0.622	50	10	BBGE	
CC(C)(CCN1CCO[C@H](C#N)C1)C(=O)NN	395718996	RGSRKURUIGDBQM-SECBINFHSA-N	240.307	-0.383	50	10	BBGE	
O=C(O)c1cccc2nc(B(O)O)oc12	396113838	NRONRPFGGIUDFD-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398860674	XOQFYZWPOVOXMQ-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(F)cc1B(O)O	404901074	JJBDJEDQZDKTFJ-UHFFFAOYSA-N	247.056	-0.733	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ccncn1	404945936	OCPLINUMYKUVOO-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C(=O)C1CC1	404966234	IWITXEHTTXSBOH-UHFFFAOYSA-N	233.076	-0.265	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1csnn1	404995404	GALLFEOCTLXFJR-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)[C@@H]1C	685957205	VBKXOKZFMCVYMA-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCN(CC)C1	689046460	DYAJAKLIOKWFIW-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]2COC[C@@H]21	690721712	VTJVXPSRUDBYHL-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(N)=O	700876884	NEIBPLMFTZFTNY-YFKPBYRVSA-N	230.268	-0.763	50	10	BBGE	
C[C@@H](c1cn(C)cn1)N(C)CC(=O)NN	710167344	MKXCKCBBDQEFSC-ZETCQYMHSA-N	211.269	-0.597	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NN)OC1	711348925	DPMDWPRZPFZFBE-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
CCCN(C)C(=O)NNC(=O)[C@H]1COCCO1	746003359	PSNSUDNORVJFQQ-MRVPVSSYSA-N	245.279	-0.516	50	10	BBGE	
CN1CCN(C(=O)NNC2=NCC(O)=C2)CC1	790175208	XJSAKPOTKRGTEX-UHFFFAOYSA-N	239.279	-0.698	50	10	BBGE	
COC(=O)CS(=O)(=O)N1CC(Cl)C1	1259021620	GFWITOSOZOVSEY-UHFFFAOYSA-N	227.669	-0.588	50	10	BBGE	
CC(=O)NNC(=O)c1nc(-c2cnccn2)no1	1440723909	UGMHJEWBRBBBRQ-UHFFFAOYSA-N	248.202	-0.693	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(N)=O	1446328520	CCZDKUUHYVNDSV-PHDIDXHHSA-N	223.236	-0.445	50	10	BBGE	
CC(=O)N[C@](C)(C(=O)NN(C)C(N)=O)C(C)C	1466167715	MNOLMZAFQJLTQK-JTQLQIEISA-N	244.295	-0.421	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCC=CO1)c1ccnnc1	1469120759	SWCWUFHZIQFAOX-SECBINFHSA-N	248.242	-0.070	50	10	BBGE	
CNC(=O)NNC(=O)CCN1CC[C@@H](F)C1	1542262528	MQGZDNDZNDEBTA-SSDOTTSWSA-N	232.259	-0.620	50	10	BBGE	
CCc1c(C(=O)NNc2nc[nH]n2)cnn1C	1611412865	XGHSNWYMAMZFKD-UHFFFAOYSA-N	235.251	-0.143	50	10	BBGE	
CNC(=O)NNC(=O)c1coc(CO)c1	1625508008	WEVVLUZCZYDYJX-UHFFFAOYSA-N	213.193	-0.654	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1cnsn1	1645084235	PFGXRAIASXKBAR-ONEGZZNKSA-N	242.260	-0.151	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2cc[nH]c2)nn1	1645367726	JOIYSHYHXSABCK-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
N=C(N)NC(=N)NC[C@@H]1C[C@@H]1Br	1877372495	LGSPNIBSJQOALY-IMJSIDKUSA-N	234.101	-0.223	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883552821	OKUAWHASHHKOCX-VZFHVOOUSA-N	206.673	-0.562	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1883645319	NPQHBQNCPCVZDR-VAYJURFESA-N	206.629	-0.858	50	10	BBGE	
CC[C@H](S[C@@H]1CC[C@H]1N)C(=O)NN	1887477546	ARNGQMXCJXEOSB-DSYKOEDSSA-N	203.311	-0.022	50	10	BBGE	
C#CCCC(=O)NN(C)S(=O)(=O)CC	1888561535	FEQBKVVVVIYCIQ-UHFFFAOYSA-N	218.278	-0.288	50	10	BBGE	
C[C@@H]1C(=O)N([C@H](C)CC(=O)NN)C(=O)[C@H]1C	1894135945	CZCCHRVROFXQOU-VQVTYTSYSA-N	227.264	-0.604	50	10	BBGE	
C=C(CSCCOCCOC)B(O)O	1895191574	QCDCELAYEJQNPS-UHFFFAOYSA-N	220.099	-0.049	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1895659757	AMDDYZQLFTVWAZ-AATLWQCWSA-N	227.308	-0.544	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1CF	1896799209	UWQWEGYYNCPIIK-HRDYMLBCSA-N	233.287	-0.471	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1c[nH]nc1C	1901337436	OEEKJUNNJPAIEL-UHFFFAOYSA-N	246.292	-0.356	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCC[C@@H]1N	1901344900	XZVQGXMBTXITQG-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
C#CCOCC(=O)NN(C)S(=O)(=O)C(C)C	1901344918	YDLSTKRLNKRABF-UHFFFAOYSA-N	248.304	-0.663	50	10	BBGE	
CN(NC(=O)c1ccc(O)nc1)S(C)(=O)=O	1901358997	HAWZKTSTDKBCHG-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
CN(NC(=O)C[C@H]1CCCNC1)S(C)(=O)=O	1901374677	VXMMFJLWKPDXTA-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](CO)C1	1901768316	CHGASMRIXXCKJB-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
Cc1nccn1CCN1CC[C@@H](B(O)O)C1	1902516818	UUYGXGOZAYBNSZ-SNVBAGLBSA-N	223.085	-0.260	50	10	BBGE	
OB(O)c1cc(O[C@H]2C=CCC2)ncc1F	1903025225	UKXKHURGBWBMSX-ZETCQYMHSA-N	223.012	-0.002	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1C[C@H](F)C1	1905096762	VUABILQSBFARSK-ZXFLCMHBSA-N	227.044	-0.049	50	10	BBGE	
CCc1ccnn1C[C@@H]1CC[C@H](C(=O)NN)O1	1908715590	NGAWOVJRCROULB-VHSXEESVSA-N	238.291	-0.017	50	10	BBGE	
CC[C@@H](N=[S@](C)(=O)CC)C(=O)NN	1913888681	QYZURCTVYDKNNA-CAAJLBCPSA-N	207.299	-0.127	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@H]1C	1914335192	OMZVNYKUHQYEMQ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)C1COC1	1915658463	PJGFWKQKDIKJIQ-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CON1CCN([C@@H](C)[C@H](C)C(=O)NN)CC1	1915710719	LWKRJSLUHGONMF-IUCAKERBSA-N	230.312	-0.820	50	10	BBGE	
Cc1ncc(OCC2CC2)cc1B(O)O	1929656890	CPMZOHCRGHWSLY-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
O=C(NNCCO)c1csc2cncn12	1931345072	FESRKXPPCMOETA-UHFFFAOYSA-N	226.261	-0.378	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(S(C)(=O)=O)C1	1932097257	ANDIBVYUQCMYNS-YFKPBYRVSA-N	225.697	-0.131	50	10	BBGE	
CC1(C)CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1936095471	XKYXZNRDZHBNNP-SFYZADRCSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2COCC[C@@H]21	1936283254	GAYIVSPTBAYNND-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CCN(C)[C@H]1CCN(C[C@H](C)C(=O)NN)C1	1939075322	NULGWHDDCMCDLP-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1939466439	PVHYKUQUTMLUAU-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(CCN1CC[C@@H](O)[C@H](F)C1)C(=O)NN	1941010875	ADBBLHYQACFZOC-RKDXNWHRSA-N	247.314	-0.203	50	10	BBGE	
CN1CC2(CCN(C[C@@H]3C[C@H]3C(=O)NN)C2)C1	1941083727	SVAREGJZBPKUEL-VHSXEESVSA-N	238.335	-0.750	50	10	BBGE	
CCN1CCCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941087451	BCWVRUQJBGTSIK-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
CON(C)C1CN([C@@H](CC(C)C)C(=O)NN)C1	1941107960	XTRIFJJMJBOGLB-JTQLQIEISA-N	244.339	-0.432	50	10	BBGE	
CNC(=O)OC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1943063339	RYMGCSGGHBSNIX-RQJHMYQMSA-N	244.295	-0.959	50	10	BBGE	
COC[C@]1(OC)CCN(CCCC(=O)NN)C1	1946472464	AQMHCRUSQDYLOW-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cc2ncccn2n1	1953040247	IKWGKAKJBOTJLH-CBAPKCEASA-N	203.205	-0.386	50	10	BBGE	
CN(CCN)CC(=O)CBr	1953156847	WMNNSGJPKXCZIY-UHFFFAOYSA-N	209.087	-0.159	50	10	BBGE	
CC[C@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1956457905	JJILWHGBKHAZDY-MDAAJZPYSA-N	222.314	-0.671	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2COCC[C@@H]21	1961304086	JWISESAEXKYWPT-YUMQZZPRSA-N	231.321	-0.817	50	10	BBGE	
OB(O)c1csc(OCCOC2CC2)n1	1961696028	MATBUQQKDKGITQ-UHFFFAOYSA-N	229.066	-0.619	50	10	BBGE	
OB(O)c1csc(N2CC3(F)CC2C3)n1	1961718010	IYFZHEVEASVBJS-UHFFFAOYSA-N	228.057	-0.486	50	10	BBGE	
CC[C@@]1(C)CCN1CCOCC(=O)NN	1974733971	LZPXUFDJSGWXCR-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1976088310	WIXCNWQAJAANMG-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
N#CC1CN(Cc2nc(C(=O)NN)cs2)C1	1978711275	JFFOWBHWKFTFDJ-UHFFFAOYSA-N	237.288	-0.298	50	10	BBGE	
Cc1ccc(OCC2COC2)c(B(O)O)c1	1980867648	ZPGKZBWSOJITBZ-UHFFFAOYSA-N	222.049	-0.300	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@]3(O)C2)CC1	1980982401	OBBROKWQNITAKT-KWQFWETISA-N	225.292	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)Cc1cccs1	1981031122	XDNMSRPAUVPMNG-MRVPVSSYSA-N	243.332	-0.079	50	10	BBGE	
CN(CC1CCC1)c1ccncc1B(O)O	1981425334	FLLTVLUFINWJFW-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CCON(CC)c1ncnc(C)c1B(O)O	1981445540	KKDBTVFUEVOKPL-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
CN(CC(F)F)c1ncc(B(O)O)cc1F	1981469082	MHUJDLFSVQCFNO-UHFFFAOYSA-N	233.986	-0.398	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@H]2CCO[C@H]21	1983239752	VOWOOGTWQDIMMA-JGKVKWKGSA-N	223.228	-0.310	50	10	BBGE	
COC12CC(C1)N([C@H](C)[C@H](C)C(=O)NN)C2	1986831768	UKVOXAHPYUSKDW-OQVRZCNBSA-N	227.308	-0.136	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	1990540134	PRMHQPHFCJOBAP-KOLCDFICSA-N	227.308	-0.375	50	10	BBGE	
C=C[C@@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	1990540135	PRMHQPHFCJOBAP-MWLCHTKSSA-N	227.308	-0.375	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)[C@H](C)C(=O)NN)no1	1997752476	NEVOWXNEDCAQHR-BQBZGAKWSA-N	241.295	-0.176	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cc(C)on1	2004448243	XPSORIZYMZPRFK-SECBINFHSA-N	242.279	-0.580	50	10	BBGE	
Cc1nc(OC2CCOCC2)ccc1B(O)O	2004934944	JINZLVKGQMTDTB-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@@H]2C[C@H]21	2005018704	XHJPMFDBNBNEHB-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CO[C@H]2C[C@@H]1C2	2019211389	QIYASRHPCWOYHC-KXUCPTDWSA-N	241.291	-0.737	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020068027	NKZVAXJXIHLMTP-NQMVMOMDSA-N	239.080	-0.514	50	10	BBGE	
O=C(CSc1ccccc1)NCC#CB(O)O	2021164216	DNNMPWCNEIUICO-UHFFFAOYSA-N	249.100	-0.090	50	10	BBGE	
Cc1ccc(C(=O)Nc2ccc(B(O)O)cn2)o1	2040762429	CWRIUQUBEFKOHP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)c1ncccc1B(O)O	2056384959	ROPNTDOLXVLQAS-FXPVBKGRSA-N	248.091	-0.768	50	10	BBGE	
CCc1cc(C=O)cc(B(O)O)c1[N+](=O)[O-]	2060036048	XSLPWBCBGMQICQ-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(C=O)c1B(O)O	2060142209	YCPZDVKEMRABQQ-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@@]23CCOC3)nc1	2077644702	DHVXPTQWCPILEH-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
Cc1ncc2c(n1)CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2085303649	PBCSLSLRXPOSIO-WPRPVWTQSA-N	247.302	-0.273	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCC(O)(C#N)CC1	2211592798	GFKHDJDOAMECPH-UHFFFAOYSA-N	247.320	-0.467	50	10	BBGE	
CNCC(C)(C)Oc1ccc(B(O)O)cn1	2212601706	RVINDPJRTQHUAL-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C#CCCCCN=c1ccc(B(O)O)c[nH]1	2212603141	CNQBDPQGWVBZNE-UHFFFAOYSA-N	218.065	-0.601	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(B(O)O)cn1	2212612591	MJOCUFIETOGIEA-JTQLQIEISA-N	216.049	-0.637	50	10	BBGE	
CC[C@@H](CNC)Oc1ccc(B(O)O)cn1	2212612913	KPXHBZGNEOCTLT-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
Cc1nc(O[C@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2216577770	SLGYUCLNCBRPDE-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
Cc1cnc(OCC2CC(N)C2)cc1B(O)O	2217168217	SYRQFYGVJDFAKQ-UHFFFAOYSA-N	236.080	-0.814	50	10	BBGE	
CCc1nc(C)cn1-c1cc(B(O)O)ccn1	2217170457	RNNMLMITRARIFY-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
OC[C@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217177596	KUMQKMPQCJORFX-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
CCN(CCCCO)c1ccc(B(O)O)cn1	2217178431	VZZRCTDZGZOCIQ-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCOC1	2217179136	GWEQZBDYKRGLMZ-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
CO[C@@H]1C[C@H]1CNc1cc(B(O)O)c(C)cn1	2217182373	AACMKGRVWHCLBJ-WCBMZHEXSA-N	236.080	-0.483	50	10	BBGE	
C[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)CN1	2217182805	HBLBTBSSJMLJIU-NKWVEPMBSA-N	239.059	-0.937	50	10	BBGE	
CCNCC(C)(C)Oc1ncccc1B(O)O	2217186592	LWZPWBGCQCKIMR-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
OC[C@@H](CC(F)F)Nc1ccc(B(O)O)cn1	2217199302	BOFPRACXJRNGLW-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
CC[C@]1(Nc2cc(B(O)O)ccn2)CCNC1	2217199409	MBSGCYJESRSPMJ-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
CC1(C)[C@@H]2CN(c3cc(B(O)O)ccn3)C[C@H]21	2217204221	GXWYXJQKGGKSNK-NXEZZACHSA-N	232.092	-0.146	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)C[C@H]1N	2220062114	FSNPYKVFACEQEH-GXFFZTMASA-N	248.135	-0.465	50	10	BBGE	
Cc1cnc(N2CCC[C@]2(C)CN)cc1B(O)O	2223641747	CWUWJMRTLOHNTG-GFCCVEGCSA-N	249.123	-0.613	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cccnc1	2223679661	SFEUMCYPXQEMQS-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C(C)C)B(O)O	2241489278	GPKLQXKSMCRKFC-UHFFFAOYSA-N	221.087	-0.775	50	10	BBGE	
CO[C@@H](CCl)CNCc1nnn(C)n1	2242451664	UWFLOIYTCXCZER-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
C=C(C)CCNC(=O)c1ccc(B(O)O)o1	2243356252	DTHNLJDFWXCZNM-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C[C@@H](NC(=O)c1ccsc1B(O)O)C1CC1	2243358085	BUZIDXSCFOOKON-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccoc2B(O)O)[C@H]1C	2243361876	IQCHXSTXPNGQSM-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)cs1	2243385121	CSVUSQLXBOZWEL-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(B(O)O)cs1	2243385235	FMERCCRJPKUBDJ-LURJTMIESA-N	241.077	-0.336	50	10	BBGE	
CC(C)[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2243397606	FPPJVYGQHMLXAA-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
Cc1c(Cl)cncc1NC(=O)C#CB(O)O	2243401222	OEFNVAQHGHHNMA-UHFFFAOYSA-N	238.439	-0.003	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2243425835	BMDHJWHKMROUNV-KHQFGBGNSA-N	227.069	-0.465	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCOC1	2243427428	VGDNKPMUPZCNOK-OYNCUSHFSA-N	227.069	-0.608	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)C1CN(C2CNC2)C1	2243751355	VSPVATHEDPYBGB-GMSGAONNSA-N	243.738	-0.367	50	10	BBGE	
O=C(O)C1(NC(=O)C2(B(O)O)CCC2)CC1	2243753062	QAVTUMJAJAVZGV-UHFFFAOYSA-N	227.025	-0.883	50	10	BBGE	
O=C(NCC1CSC1)c1cc(B(O)O)co1	2244205054	FCYGNQKYUVPMOA-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
O=C(NCC=CB(O)O)C12COCC(C1)C2	2245078661	JCRUEBCSMHYBBF-UHFFFAOYSA-N	225.053	-0.903	50	10	BBGE	
CCCCCNC(=O)c1cnn(C)c1B(O)O	2247735769	PDMKTPPLMGMXBI-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1C(=O)C1(B(O)O)CCC1	2247753376	GFLYQJIRYCYXLS-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
COC1CC(N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796764	CPPTYDQNUXSJAU-FIORISEFSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)N1	2247798819	XKMSUDJRWKWVFB-VGMNWLOBSA-N	240.112	-0.504	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247800503	PQMQKKJKAWTMQU-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@]12CCCNC[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2247801104	WZKNSJXQZBXHRU-SJQPAMGKSA-N	238.096	-0.892	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	2247805324	BHQHTOYRMNAEJQ-XHNCKOQMSA-N	241.096	-0.267	50	10	BBGE	
CN(C[C@@H]1C[C@@]1(C)C(F)F)C(=O)C#CB(O)O	2247849840	GBZPDKWWKLIVIB-OIBJUYFYSA-N	245.034	-0.249	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C(=O)C1(B(O)O)CCC1	2247855808	YJOUHUQXLOENRV-VIFPVBQESA-N	243.112	-0.141	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CCCNC2)C1	2247860229	UBSLHIVQLKJCAM-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cncc(B(O)O)c1	2247873406	BHDAYUCZNOJUPF-MRVPVSSYSA-N	234.064	-0.687	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H](C)F)c1	2247873415	JEKLYNRPVUCIGY-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1occc1B(O)O	2247878981	OTGUIWKHEOVOSB-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
C[C@@]1(CO)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247895360	RJSRXXVBVRJEPF-WCABBAIRSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910057	MNHVEOFMXZTPAR-IMSYWVGJSA-N	240.112	-0.422	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248586695	FXABQQZTFGWYDL-GJMOJQLCSA-N	241.052	-0.828	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2cocc2B(O)O)C1	2249416919	YRXLPAVGGQQHJK-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cc(B(O)O)co1	2249430475	NIKSUJCMAPHEDU-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2255474778	UPQJDHXHKQNEAH-SECBINFHSA-N	247.059	-0.557	50	10	BBGE	
N[C@H]1Cc2ccc(NC(=O)C#CB(O)O)cc2C1	2255671834	XKTGEZMOICCIDH-JTQLQIEISA-N	244.059	-0.934	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2CC[C@H]1C2	2255691530	NOZXXZKOAGXHSB-IUCAKERBSA-N	246.075	-0.614	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC2CC(C2)C1	2255729404	VBVODLYFMOXBII-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)[C@H]1C[C@@H](B(O)O)C1	2298368505	IRNVHBZERUFVTB-XYEIADGQSA-N	239.080	-0.465	50	10	BBGE	
C=C[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368986	FGVUOEXSNVVQNB-YWVKMMECSA-N	239.080	-0.347	50	10	BBGE	
C[C@H]1CCC[C@@H](CN)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369276	PEKXMADJBRAOQP-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371177	BTMFFGCUFBMJQI-KYXWUPHJSA-N	240.112	-0.648	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298371892	YWOXCLBWZJBMSI-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298375095	YQSVKWWNHCLFHF-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
C=C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377267	KIYZSKAOJBAOLM-FXPVBKGRSA-N	239.080	-0.611	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)O)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298462795	CXPOAKGUCVMKFW-FKSUSPILSA-N	241.052	-0.687	50	10	BBGE	
O=C([C@H]1[C@@H]2CCO[C@@H]21)N1CCC(B(O)O)CC1	2298532338	OHBUTLCKNAWYEU-GUBZILKMSA-N	239.080	-0.513	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C[C@H]1CC21CC1	2301400795	LGBQSJLCBKLGOT-AEJSXWLSSA-N	233.076	-0.303	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)CC1(O)CC1	2301866044	CTKRCXNMWRFEKA-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)C(=O)C1	2302058816	GYMMYIQZFQPSLB-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC(C)N(C)C(=O)CN1CC[C@@](C)(B(O)O)C1	2303097068	LPKYXLCUHDPEAD-LLVKDONJSA-N	242.128	-0.208	50	10	BBGE	
OB(O)c1cc(=NCC2[C@@H]3CC[C@@H]23)[nH]cc1F	2303835370	VWMRLWCMPAYJKF-RNFRBKRXSA-N	236.055	-0.610	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](Nc1ncccc1B(O)O)C2	2313112037	JXEGLFBKRQQKTI-HOSYDEDBSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CC[C@H]1O	2317151574	SEKQNFQURLKEPM-PRHODGIISA-N	246.075	-0.579	50	10	BBGE	
C[C@@H](Nc1ccc(C=O)c(B(O)O)c1)C1CNC1	2317319173	QYAIZNCHUPFNFX-MRVPVSSYSA-N	248.091	-0.801	50	10	BBGE	
C[C@H](O)[C@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2317352014	RMCGDLCCNOLBPJ-QPUJVOFHSA-N	249.075	-0.862	50	10	BBGE	
Cc1cnc(OC[C@@H]2[C@H]3COC[C@H]32)c(B(O)O)c1	2318950786	BJGSZCKGDQJQCP-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
Nc1nc2c(ncn2/C=C/C=O)c(=O)[nH]1	28022975	ARPDFSNFKGGTRD-OWOJBTEDSA-N	205.177	-0.629	50	10	BBGE	
O=C1CCN(C(=O)CCCl)CCN1	62101066	IYKFVAPZSOAJRL-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
COCCNC(=O)NC(=O)CBr	88108007	GMPXXZOZLVETER-UHFFFAOYSA-N	239.069	-0.147	50	10	BBGE	
NNC(=O)c1coc(Cn2ncccc2=O)c1	110601820	PYHSPAAXVHAFRZ-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
NNC(=O)CCN1CC[C@H](CCO)C1	125281131	HQIVKLHEFCOWQV-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H](C(=O)O)C1	149133328	NHDJCYNZEBZNHE-SSDOTTSWSA-N	215.253	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C)OC[C@@H]1C	216472335	ZHOCFRSOKZXKFO-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCCC[C@@H]1CO	232420815	GTGYJGDTCAYQBR-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)N1CC(O)C1	235439634	GBOFHVCPGQUEFY-ZCFIWIBFSA-N	227.713	-0.132	50	10	BBGE	
O=CCC(=O)c1ccc(B(O)O)cc1F	238620869	ZMIVSIJJZSIPMY-UHFFFAOYSA-N	209.969	-0.723	50	10	BBGE	
O=C(O)c1nc(Cl)ccc1B(O)O	238622770	BJXFURXRMNPGMW-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1CN(C)C	251218852	MFRJTFUITYOVPT-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)c1occc1CSCC(N)=O	300791179	HLGMUOSGHMBXQO-UHFFFAOYSA-N	229.261	-0.398	50	10	BBGE	
NNc1ccc(C(F)F)c(B(O)O)c1	306584048	FZTCNNDHEHASFL-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@@H]([C@H](Cl)[C@H]2O)[C@@H]1CO	307225612	DFIHVBUECDQBBC-ZLSXHNQQSA-N	206.669	-0.179	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1ccc(B(O)O)cc1	310196979	GDMFTWNSJDQTSD-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
OCCn1cc(-c2cccc(B(O)O)c2)cn1	310249120	VVGUMTZDRQDMKK-UHFFFAOYSA-N	232.048	-0.778	50	10	BBGE	
COC1CN(Cc2ccc(F)c(B(O)O)c2)C1	310285077	IOQOVNMCNAPGRQ-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
COC1CN(Cc2nc(C(=O)NN)cs2)C1	328372115	DZOJBJHYNJPMAW-UHFFFAOYSA-N	242.304	-0.423	50	10	BBGE	
CCSCCO[C@@H](COC)C(=O)NN	378657431	CNOGIXMETPEGNL-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
CSCCOCCn1cc(C(=O)NN)nn1	378664692	IXQWYUJMJSZDAN-UHFFFAOYSA-N	245.308	-0.739	50	10	BBGE	
O=C(CCCCCl)N[C@H]1CONC1=O	393761321	LWYPGRDIDDPPQZ-LURJTMIESA-N	220.656	-0.058	50	10	BBGE	
COC[C@@](C)(O)CNS(=O)(=O)CCCl	394618706	WPFYBMULSREKQX-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
CC(C)(CCN1CC[C@H](CO)C1)C(=O)NN	395595653	QGUWGOCUJOXVIS-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
COC(=O)Cc1c(CCC#N)cccc1B(O)O	396044906	ZVGHMFDDQUPPNC-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
C[C@H]1COCCN(C[C@@H](C)C(=O)NN)C1	399673983	OMOYBSVPQRWGQQ-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cc[nH]n1	404939562	KBIHSCXWWIBZQC-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1[C@@H]2COC[C@@H]12	405009251	OXMXEKAHZBAVPS-NXEZZACHSA-N	247.059	-0.803	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccnn1C	689551918	JYLKOFSAIYWXOV-VIFPVBQESA-N	225.296	-0.380	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CC1CN(C)C1	692719116	KMIOHYJPMAMZMC-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700562137	VYNFXQCAMXLLNH-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC1(C)COC1	702969993	RGODGAHPXVCFAI-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)CCO1	705869846	QMJOGBMLHCMMES-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(n2cncn2)C1	707390114	BXBICXBKFVBDBN-YUMQZZPRSA-N	238.295	-0.851	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708050814	MAJHTZSSIXCWOI-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)[C@H](C)C(=O)NN	710919997	SXBHYMXGFGJLSZ-BWZBUEFSSA-N	201.270	-0.669	50	10	BBGE	
CNC(=O)N1CCCc2cccc(B(O)O)c21	712132029	JUYZUJDVVNQRNB-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
C#C[C@H](CO)NC(=O)CCBr	718211506	SLTCMLIZIYTWKN-ZCFIWIBFSA-N	220.066	-0.118	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CCCC(=O)NN	724144176	ZPPIWJNAZYPWDJ-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCN(C)Cc1nsc(C(=O)NN)n1	724348741	BKYITNZHWRHIAO-UHFFFAOYSA-N	215.282	-0.407	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC1=NCC(O)=C1	747632073	FNXACACDNAKFGT-UHFFFAOYSA-N	221.220	-0.193	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cncs1	886014127	KLSUAYBCYUJXBR-SCSAIBSYSA-N	214.250	-0.690	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NN(C)C(N)=O)C1	897278304	RHPYKVVDAHAQMY-RITPCOANSA-N	201.226	-0.547	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CC(c2ccccn2)=NO1	905067337	HEADCZSMXNYJNB-SNVBAGLBSA-N	248.242	-0.258	50	10	BBGE	
CCNC(=O)NNC(=O)C1(n2cccn2)CC1	930731819	NTBUOPLZMUUOKN-UHFFFAOYSA-N	237.263	-0.278	50	10	BBGE	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)N(C)C	1292258289	NSJSANLFVBFWEL-ZETCQYMHSA-N	244.295	-0.564	50	10	BBGE	
CC(=O)NCC(=O)NNc1ncc(F)cc1F	1298938440	USAOQAMDFKRVBY-UHFFFAOYSA-N	244.201	-0.061	50	10	BBGE	
C=CCOCC(=O)NNc1cnnn1C	1651046626	XVVOAXZPNPHUJA-UHFFFAOYSA-N	211.225	-0.539	50	10	BBGE	
OC1CNC(=NC[C@H]2C[C@@H]2Cl)NC1	1883554480	UUSXZLOHRNUAPN-VDTYLAMSSA-N	203.673	-0.477	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)C1	1883626913	NGVZPNZNUPFYQQ-LURJTMIESA-N	203.625	-0.099	50	10	BBGE	
CSSCCNC(=O)[C@@]1(O)CCNC1	1886138372	MNLSXTYKIKZZOS-MRVPVSSYSA-N	236.362	-0.162	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2CS(=O)(=O)[C@H]2C1	1887084479	RCISUVXNSIRVFH-CSMHCCOUSA-N	234.708	-0.154	50	10	BBGE	
C[S@@]1(=O)=NCc2c(B(O)O)cccc21	1892655232	LYXTZRVJXFAHSK-AWEZNQCLSA-N	211.051	-0.663	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CC(=O)NN)[C@@H]1C	1892768784	YFCYQHQHJMHPPP-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2OCC[C@H]2C1=O	1895086613	FXZUGQDYVVTVLF-BWZBUEFSSA-N	227.264	-0.998	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC(C)(C)C(=O)NN	1896032161	JHEXOMNDJJZCCN-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@H]2C1=O	1898879894	HLFSUOPAZNXPOK-LYFYHCNISA-N	225.248	-0.850	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCOCC1	1900528345	RKHDCTMBMIUCEI-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H]1CN	1901339065	HSJFYCZQLPUJOH-JGVFFNPUSA-N	249.336	-0.718	50	10	BBGE	
C=C[C@H](CCl)NS(=O)(=O)NC(=O)OC	1901504464	KDJHVYSOUKVARB-RXMQYKEDSA-N	242.684	-0.030	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(C)(CO)C1	1901751272	GFPPZVCNLCWHAB-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)[C@H](OC[C@@H]1[C@H]2COC[C@H]21)C(=O)NN	1902165978	QNCSUHUBYBQBIS-JLIMGVALSA-N	228.292	-0.090	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	1902520933	DZSDXURERXAYTG-MRTMQBJTSA-N	227.069	-0.513	50	10	BBGE	
NNC(=O)COCc1ccc2nccn2c1	1902929270	PSDXXHBSCNIGFW-UHFFFAOYSA-N	220.232	-0.159	50	10	BBGE	
CC[C@@H]1CCN1c1cc(B(O)O)c(F)cn1	1903010274	NVRZNOWXVAFNOL-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(O)C[C@@H]1C(F)(F)F	1903119377	NGUHCZKFEVGAKJ-CAHLUQPWSA-N	241.213	-0.779	50	10	BBGE	
OB(O)c1cnccc1OCC1CC(F)C1	1905001450	OIEDOOZKRZWTNM-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
OB(O)c1cccc(CN2CCO[C@@H]3C[C@@H]32)c1	1907004313	HIFDBPNPOORHCQ-NWDGAFQWSA-N	233.076	-0.661	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1907072256	HYWIBMREVREELK-DQUBFYRCSA-N	231.064	-0.999	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1908899799	QIBKKIQFKUHVHF-DCAQKATOSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1ccccc1B(O)O	1910489292	OHPGLVGWJNSLKY-RKDXNWHRSA-N	233.076	-0.248	50	10	BBGE	
COC[C@@H]1CCCN(C[C@H](C)C(=O)NN)C1=O	1912291956	AMEAHYMIJSFBLL-IUCAKERBSA-N	243.307	-0.503	50	10	BBGE	
COCC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1916281256	KJQGNEUQIHFQOO-SFYZADRCSA-N	215.297	-0.421	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H](C)CCO	1917043774	WOYNBBHGMXPBHV-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
N#CC1=CCN([C@@H]2CCN(CC(=O)O)C2=O)CC1	1917057303	SYZAYQLSKLISCD-SNVBAGLBSA-N	249.270	-0.172	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1927917680	XRIPYZGVYJFZPM-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
NS(=O)(=O)C[C@H]1CCCN1C(=O)CCl	1928650647	FMCWRDCPCNNHKC-ZCFIWIBFSA-N	240.712	-0.495	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@H](Cl)CF	1930551909	YUKGXXKOIVBBPH-RXMQYKEDSA-N	218.681	-0.041	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H](CCl)C2CC2)n1	1930728429	IHGFKZFSVRULKE-LURJTMIESA-N	229.671	-0.043	50	10	BBGE	
COC1(C)CN(CC2(C(=O)NN)CC2)C1	1931258778	GRWGYOPCSVEDHG-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H]1[C@@H](Cn2ccc(B(O)O)n2)C1(F)F	1931657409	AGEBFVJENZWHAX-PHDIDXHHSA-N	215.996	-0.536	50	10	BBGE	
C[C@@]1(CCl)CN(C(CO)CO)C1=O	1931733868	QVBYTRGHUDDKIE-MRVPVSSYSA-N	207.657	-0.573	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC(F)(F)C1	1932127459	RWSPSNNRNTVHMM-RXMQYKEDSA-N	209.196	-0.710	50	10	BBGE	
COC[C@H](NC(=O)CCCCl)C(N)=O	1932166577	VCOJRFOMGKSEIC-LURJTMIESA-N	222.672	-0.378	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN(C)CCC1	1932321667	VUVLDGNWCZPCCQ-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
COC[C@H](Sc1ncc(C)[nH]1)C(=O)NN	1933433703	DXWDMZGKAJYFOV-LURJTMIESA-N	230.293	-0.185	50	10	BBGE	
CC(F)(F)C1(NC(=O)C(=O)NN)CC1	1933533078	VOPGQQLNVKCSKY-UHFFFAOYSA-N	207.180	-0.720	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)[C@H](O)C1	1934315934	BDCHKDGEUIWMTJ-RRKCRQDMSA-N	207.657	-0.575	50	10	BBGE	
COC1CC2(C1)C[C@H]2N1CC(=O)OC(=O)C1	1936292706	MOQNOLKOBLYGFI-JKDSDDBFSA-N	225.244	-0.061	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H]2CO)cc1	1944079596	GAOCVGCNTCWFPS-NSHDSACASA-N	235.287	-0.143	50	10	BBGE	
O=C(N[C@@H]1CCOC1)N1CC[C@H](B(O)O)C1	1951322112	UIXGRGFZZKIISE-JGVFFNPUSA-N	228.057	-0.966	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NNC(N)=O	1956197071	ADEJIGWDFYSZDK-IUYQGCFVSA-N	207.180	-0.023	50	10	BBGE	
NC(=O)NN=C1[C@H]2CC3C[C@H]1CN(C3)C2	1960024258	ORBVBLUPPBMNKJ-ALKRTJFJSA-N	208.265	-0.018	50	10	BBGE	
C[C@H](C#N)CN(C1CC1)[C@H](C)C(=O)NN	1961233248	DKZWSSPJIXFECQ-HTQZYQBOSA-N	210.281	-0.011	50	10	BBGE	
O=C(NCB(O)O)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961395118	ABKRREXVCTXJBG-ZLUOBGJFSA-N	218.996	-0.594	50	10	BBGE	
C[C@](O)(CO)CNC(=O)C1CC(Cl)C1	1970050210	CQNABNPWFZYBFG-QXUHLLMWSA-N	221.684	-0.137	50	10	BBGE	
CCN(CC)CC(=O)N1CCC(B(O)O)CC1	1971373790	YQXMMRMCZVELHY-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)nnc1C	1972415608	WMAPWNIUXWAHLS-VIFPVBQESA-N	249.079	-0.218	50	10	BBGE	
COCCOC1CCN(CC(=O)NN)CC1	1976174036	QNEREZIISFCCHS-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
COC1(C(N)=O)CN(c2nnc(CCl)o2)C1	1977050364	GTYOBAICLKIRFT-UHFFFAOYSA-N	246.654	-0.501	50	10	BBGE	
C[C@@H]1[C@H](CN(C)CCOCC(=O)NN)[C@@H]1C	1977237737	OVSCCIUKKBQUCE-ILWJIGKKSA-N	229.324	-0.173	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@](=O)[C@H](C)C1	1981188908	SDLOMOPPRPBAJM-LGXQJMGHSA-N	247.364	-0.546	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]1CF	1981422508	POVZOPXQWKLUCP-QMMMGPOBSA-N	224.044	-0.300	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2[C@@H](C[C@H]2C(=O)O)C1	1982131300	GVXBAXIEBFOJIC-RNJXMRFFSA-N	227.264	-0.175	50	10	BBGE	
CO[C@@H](C)COc1cc(C)c(B(O)O)cn1	1986049481	SDSLUZFKKQYFJD-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
C[C@H]1CCC[C@H]1S(=O)(=O)NCC=CB(O)O	1991331225	YWRTUWCBVUTXQZ-DTWKUNHWSA-N	247.125	-0.337	50	10	BBGE	
CNC(=O)CN1CCN(C[C@@H]2C[C@@H]2Cl)CC1	1991433281	PUIRFPIPASXSAS-UWVGGRQHSA-N	245.754	-0.023	50	10	BBGE	
N[C@]1(C(=O)O)C[C@@H](NC(=O)/C=C/C(=O)Cl)C1	1991706088	LXTPWQUZGSLFGS-VAXNKXEDSA-N	246.650	-0.631	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCN1CCNC1=O	1991712241	FGTGUSKFVRRWOM-OWOJBTEDSA-N	245.666	-0.551	50	10	BBGE	
CN(Cc1nnn(C)n1)c1nnc(CCl)o1	1992054665	VZONXWINOVPSDL-UHFFFAOYSA-N	243.658	-0.032	50	10	BBGE	
C=C(CO[C@H]1C[C@H](OC)[C@H](OC)C1)B(O)O	1992148703	SXQPTQPNHXOMFH-OWUUHHOZSA-N	230.069	-0.236	50	10	BBGE	
C=C(CN(C)Cc1cn(C)nc1C)B(O)O	1992160458	WNUOFBUZEPLTJC-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@]2(CCOC2)C1	2002822023	GNPPMMPUUUJBAF-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@@H](C)[C@H](C)C(=O)NN)CCO1	2005913045	NYJMAUPXYBXESS-XKNYDFJKSA-N	245.323	-0.918	50	10	BBGE	
Cn1cc(C(=O)NN)c(COC(CF)CF)n1	2011750879	WLXZRHMNFPNBSP-UHFFFAOYSA-N	248.233	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	2014265668	KFAPKOBJBXKOSF-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CN(C[C@H]1CCC[C@@H](C(=O)NN)O1)C1COC1	2018243065	PHCKXUSPCLZIGQ-ZJUUUORDSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1cccc(COCCC2COC2)c1	2022697741	OAMYJDYBLDMCHA-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cnco1	2031811238	LSMNEYVOVYEEAB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@]23CC[C@@H]3N)CC1	2052403549	QTHALZLRFPWCCR-KWBADKCTSA-N	249.314	-0.009	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2ccc(C(C)C)n2)n1	2052601098	FTDWYHFQGOWUOV-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2[C@@H](C)[C@H]2C)n1	2052626859	GLOOCFMTXYPQEV-DIYOJNKTSA-N	249.123	-0.197	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)cc1C#N	2060185239	LPBPEYAXNVIYDP-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
C=CC[C@@H](CO)NC(=O)c1ccccc1B(O)O	2079011094	YUPNJJSUIHRHDU-VIFPVBQESA-N	249.075	-0.967	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)CC(=O)NN	2209791490	WBDNVRDGJKAAIH-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2[C@H](C[C@H]2O)C1	2213026158	CXVKTKQPZJYNMD-GJMOJQLCSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@H](O)C[C@H]2C1	2213035581	YROGVYNMEOKEMQ-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@@H]1OC	2215004080	KAVFRBWMUYREEC-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCCC2)C[C@@H]1O	2216883308	IZJXWSFNXCHCQD-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CCC[C@H]3C2)c1	2217173699	SYJIZOVXXOCIID-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
CC1(C)CN[C@@H]1COc1ncccc1B(O)O	2217183164	GMWTUOITDNSTAA-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H](CCCO)Nc1ccc(B(O)O)cn1	2217200218	ISCKAUQMGITKCA-JTQLQIEISA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCC[C@H]1O	2217205392	YJJPOTJHWGEIJK-NXEZZACHSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CC[C@H](C1)O2	2223632608	MCJAHPZSCDLKSM-ILWJIGKKSA-N	248.091	-0.117	50	10	BBGE	
CNC[C@H]1CCCN1c1cc(B(O)O)c(C)cn1	2223647946	FTHJCQUVEXGGRZ-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1CCN	2223667099	NFYZTTAXZWBWGS-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)c1ncccc1B(O)O	2223671034	GRGJNHMCSLVEQB-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@]23CCCOC3)nc1	2223673504	KRCJQOYMANERSR-ONGXEEELSA-N	249.079	-0.863	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@@H](F)C1	2243378718	YAWWHTWUCFWYHX-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]o1	2243382791	RZJNVKDANZDHIT-KNVOCYPGSA-N	224.025	-0.404	50	10	BBGE	
N#CC1CN(C(=O)c2cscc2B(O)O)C1	2243397521	CUCBQNGEDRZEMW-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
C=C=CCCNC(=O)c1csc(B(O)O)c1	2243406647	CBXRDRHVVPMAQA-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
CC(C)(C)ONC(=O)c1csc(B(O)O)c1	2243406909	HVRMDLSFPZPFKT-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
COCCNC(=O)c1sc(C)cc1B(O)O	2243414123	UEBRBUZAOWEXEV-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cc(B(O)O)sn1	2243415450	VFTCWOBLBCUVLF-ZCFIWIBFSA-N	240.093	-0.649	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCOCC1	2243425994	CWMVVOWZIHTWQT-KYZUINATSA-N	227.069	-0.512	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1(F)F	2243426723	KTYWSGQCNFLYBE-JRTVQGFMSA-N	233.023	-0.133	50	10	BBGE	
CCN(O)C(=O)Nc1ccc(B(O)O)cc1	2243451754	FUWLMPONJJSCBL-UHFFFAOYSA-N	224.025	-0.391	50	10	BBGE	
C[C@@H](O)CN(CC(C)(C)C)C(=O)C(=O)NN	2244914479	QFMNITNVZFYKSW-SSDOTTSWSA-N	231.296	-0.768	50	10	BBGE	
CN(CCC#N)c1cc(B(O)O)c(Cl)cn1	2245913772	XVXNFHDXNOMLJT-UHFFFAOYSA-N	239.471	-0.235	50	10	BBGE	
CCOC(=O)CN(C)C(=O)C1(B(O)O)CCC1	2247732864	KDFPMZJRKBJKER-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1coc(B(O)O)c1	2247733080	MAQUROSNCGZOAR-QMMMGPOBSA-N	236.036	-0.619	50	10	BBGE	
CC1(C)COCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247757261	PYKBCHRCVPNEEX-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CCO[C@H](CCF)C1)C1(B(O)O)CC1	2247758660	VQILQNZTCYRFNA-MRVPVSSYSA-N	245.059	-0.420	50	10	BBGE	
O=C(c1cc(B(O)O)cn1C1CC1)N1CCC1	2247758994	NKRNWLRNXNQODO-UHFFFAOYSA-N	234.064	-0.651	50	10	BBGE	
C#C[C@H]1COCCN1C(=O)C1CC(B(O)O)C1	2247797062	FXAYTHORZWWZAG-RTBKNWGFSA-N	237.064	-0.900	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247804603	HYIHPVPQJQTFBU-JLIMGVALSA-N	241.096	-0.389	50	10	BBGE	
Cc1cnc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2247809515	PWBPYPHTPMWPSL-JGVFFNPUSA-N	237.068	-0.461	50	10	BBGE	
O=C(NC1(CCCO)CCC1)[C@@H]1C[C@H]1B(O)O	2247810691	ZJBFKSUDBXCCSH-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(C#CB(O)O)NCC#Cc1ccccc1	2247849392	ZLGZXRCDPGXOBL-UHFFFAOYSA-N	227.028	-0.830	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2OCC[C@H]2C1	2247849831	FYAGWSZHJFCFMU-VHSXEESVSA-N	237.064	-0.971	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cc(B(O)O)c[nH]1	2247849837	FZJMSFYHPJEUCB-SECBINFHSA-N	234.064	-0.467	50	10	BBGE	
N[C@H]1CCCN(C(=O)C2(B(O)O)CCC2)CC1	2247853987	VOFBFNKSWFKBQZ-VIFPVBQESA-N	240.112	-0.277	50	10	BBGE	
C=C(F)CNC(=O)c1cccc(C)c1B(O)O	2247854194	YKLBREZSCPLYNY-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CO[C@H](C1CC1)[C@@H](C)NC(=O)C1(B(O)O)CC1	2247879440	VJEQIRYKSWUMHC-APPZFPTMSA-N	241.096	-0.077	50	10	BBGE	
N[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894603	IWUPZCPVKMZAEB-AATLWQCWSA-N	240.112	-0.375	50	10	BBGE	
Cc1c(CNC(=O)[C@@H]2C[C@H]2B(O)O)cnn1C	2247896505	ZBTATBWXEGYHPR-RKDXNWHRSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H](C1)OC2)[C@H]1C[C@@H]1B(O)O	2247898696	HAMUSTCDFYHZHD-KBIXCLLPSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1CN2CC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247904576	QGXXFOAPALSLTN-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C(=O)C(F)F	2248400897	CDTJHIHZVYCTSK-UHFFFAOYSA-N	243.018	-0.410	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248577461	NKWDCBYQYHMVJD-RRKCRQDMSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ncccc1B(O)O	2249308456	PUPINJWCWIVGLA-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCC[C@H]2C[C@@H]21	2250000691	MCBKVPKPDRSIOG-AXFHLTTASA-N	235.092	-0.056	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2251041000	YEWUXASDFURURV-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
O=C(Nc1cccnc1F)c1occc1B(O)O	2255481246	FBVSJMNITHGBJV-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1ccncc1B(O)O	2255724280	DHOPSFXCTYLLCX-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@@H]1CC1CC1	2255765048	LDHUODSVMSHMNC-MRVPVSSYSA-N	249.079	-0.896	50	10	BBGE	
C[C@H](C#N)CNC(=O)Nc1cccc(B(O)O)c1	2255893748	URDKCEHKEMWMNV-MRVPVSSYSA-N	247.063	-0.352	50	10	BBGE	
CC#CCN(C)C(=O)Nc1ccccc1B(O)O	2255893755	USTDPHDSGMDVLP-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
O=c1ccccn1Cc1c(F)cccc1B(O)O	2260997548	OCNPHIAQCQTMIS-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)Nc1ncco1	2263402685	RRMFEDZMDQCTSH-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]1C1CC1	2298374801	NHLFYUUSZKMZPA-JXUBOQSCSA-N	239.080	-0.779	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298375219	ALFSNMJAACSXTE-DKIAZLNASA-N	239.080	-0.513	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2298376977	ADFFZAZQCISZGU-BECAKDQMSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC(O)C[C@@H]2C1	2298377144	GHTNPODTDLUTGJ-KHUVANEUSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1ccc(C(N)=O)cc1	2300923458	JEQBYYSGDPNFPO-ZETCQYMHSA-N	237.259	-0.067	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	2302049922	LZMXHAXLPOHHCP-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1	2303105729	QKBPGRMIDQKSBD-MATHAZKKSA-N	241.052	-0.828	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303115423	UDCVWZARXGHCLO-RKDXNWHRSA-N	241.096	-0.266	50	10	BBGE	
CC1(C)OCCO[C@H]1CN1CC[C@@H](B(O)O)C1	2303155214	OWUJVUSSHQJRFB-ZJUUUORDSA-N	243.112	-0.271	50	10	BBGE	
CC[C@](C)(CN(C)C[C@H](O)COC)C(=O)NN	2303420437	WOWMWHXQDXYLFX-GXSJLCMTSA-N	247.339	-0.668	50	10	BBGE	
CCNC(=O)CN(C)C[C@@](C)(CC)C(=O)NN	2303420529	ZCWQRIJPRPZOHM-LLVKDONJSA-N	244.339	-0.540	50	10	BBGE	
OCC1CC(Nc2cc(B(O)O)c(F)cn2)C1	2303847617	LMKOFYGAUYTJLX-UHFFFAOYSA-N	240.043	-0.917	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@](N)(C2)C3)CC1	2303896950	ZHRBTWCVUJCMJE-PHIMTYICSA-N	235.287	-0.255	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C	2304182326	JWGXGEHIIOQFRP-OEZYJKACSA-N	241.096	-0.533	50	10	BBGE	
COC[C@@](CN)(C(=O)O)N1CC=C(C#N)CC1	2305760184	RCBYBTVSCQSANJ-NSHDSACASA-N	239.275	-0.429	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@H]2CCc3nccn32)C1	2306971427	XUSBSHJLWGJGMS-VHSXEESVSA-N	235.096	-0.081	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@@H]1CN	2317156653	WKTOZUFXBQDQSX-LLVKDONJSA-N	245.091	-0.834	50	10	BBGE	
CC[C@H](CNC)Oc1ccc(B(O)O)cc1C#N	2317211908	PBSRIEQJKXZNTO-LLVKDONJSA-N	248.091	-0.385	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)ncc1F	2320782001	QPJZHSQNFTXBIE-LITAXDCLSA-N	248.066	-0.255	50	10	BBGE	
C[C@]1(C2CC2)NC(=O)N(NC(=O)CCl)C1=O	40166090	NWVJYKXHAYZTIG-SECBINFHSA-N	245.666	-0.023	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)COCC(=O)NN	58845263	VJOUSYOYMABZOK-SSDOTTSWSA-N	217.269	-0.846	50	10	BBGE	
COc1coc(/C=N/NC(N)=O)cc1=O	71249914	WOHUIXBVAHOSPK-XCVCLJGOSA-N	211.177	-0.349	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1ncn[nH]1	82471866	PMTMUDMWALOAAJ-BYPYZUCNSA-N	201.255	-0.335	50	10	BBGE	
CC(C)(CN1C(=O)CCCCC1=O)C(=O)NN	93728233	LMAAJUDZZFCIKB-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ccc(=O)cc2)O1	110601627	QJVJCJMYEBBTAW-ZJUUUORDSA-N	237.259	-0.614	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccoc2C(=O)NN)n1	110603572	FMPTWERTLOJMMM-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
NNC(=O)c1coc(Cn2cccnc2=O)c1	111820679	MLRPAODVIHRIGA-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
C[S@@](=O)CCNC(=O)CBr	135299145	UYEASUKCKJLWKC-JTQLQIEISA-N	228.111	-0.124	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@@H](C)C(=O)O	165776226	LQVKQRGBFZPLEM-RITPCOANSA-N	203.242	-0.129	50	10	BBGE	
CC[C@@H](N)C(=O)N[C@H](CCl)C(=O)O	196543426	HXERLZWXXHEQTL-RFZPGFLSSA-N	208.645	-0.468	50	10	BBGE	
O=c1ccccn1OCc1ccc(B(O)O)cc1	199104661	WTFZOQWLMZCXDU-UHFFFAOYSA-N	245.043	-0.843	50	10	BBGE	
OB(O)c1ccccc1OCc1ncccn1	203233775	NSJPSJWQKICHJO-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
OB(O)c1ccc(CO[C@H]2CCOC2)cc1	203528705	MLDAFHDFECBOPJ-NSHDSACASA-N	222.049	-0.328	50	10	BBGE	
COC[C@H](CN1CC(=O)OC(=O)C1)OC	234700828	PLISRLVYZUBDRJ-ZETCQYMHSA-N	217.221	-0.967	50	10	BBGE	
NNC(=O)c1cccc(Cn2ncccc2=O)n1	236256369	QKQJHKOSTPAYHF-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
OB(O)c1cnc(-n2cccc2)nc1Cl	238654536	JHWIEQIVLJEAJC-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)C[C@H]1C	250354971	RYTCVTLGYIWFAT-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)C(=O)NN)C1	252210848	YBZJHNUYVXRNTJ-JIGDXULJSA-N	213.281	-0.083	50	10	BBGE	
COC(=O)NNC(=O)Nc1nnc(OC)s1	276539574	OKZZMTMZWGMEQT-UHFFFAOYSA-N	247.236	-0.061	50	10	BBGE	
CC[S@](=O)N1CC[C@H]2C(=O)OC(=O)[C@@H]2C1	307286399	QYKWNNRRQXNWHE-YRRYFFEDSA-N	231.273	-0.309	50	10	BBGE	
CNc1cc(C(=O)NNC(C)=O)ccn1	308917093	GFHZWUYEBYYUFW-UHFFFAOYSA-N	208.221	-0.096	50	10	BBGE	
OB(O)c1ccccc1-c1ncc(O)cn1	309367810	BXGFTVTXGMQOSU-UHFFFAOYSA-N	216.005	-0.471	50	10	BBGE	
Cc1cccnc1NNC(=O)C(=O)C(=O)O	309597238	ITYOADVMDVDSEC-UHFFFAOYSA-N	223.188	-0.513	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(CC(C)(C)C(=O)NN)C1	310108911	DRQAGPUAXNDPPM-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
COCCOCOc1ccc(B(O)O)c(C)c1	310211156	UVNMPQSMDBXQFI-UHFFFAOYSA-N	240.064	-0.326	50	10	BBGE	
CCN(CCC(=O)NN)C[C@H](C)OC	383041055	ORUMXFVRWXCLPJ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(=O)[C@@H](Cl)c1c(CO)cccc1B(O)O	396063871	XKNTTYGOQNFAMT-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1CC(=O)O	396131563	DUDXIXWWVSQIHV-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
NCC1CN(CC2=C=S=C(Cl)N2)C1	642869477	RXPWVKBSHKDCNY-UHFFFAOYSA-N	217.725	-0.176	50	10	BBGE	
NC(=O)NN[C@H]1CCCC[C@@H]1[N+](=O)[O-]	687758634	DGOPYWXXMDRDEM-WDSKDSINSA-N	202.214	-0.253	50	10	BBGE	
C[C@H](CN1CCC[C@H]([C@@H](C)O)C1)C(=O)NN	688960506	QTQLJVSUAZZCBS-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(O)(C2CC2)C1	695078613	BCULEIDEGBGZHK-JTQLQIEISA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1COC	696550872	ZNAHZWXIDOOCLI-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1CCC(N2CCC2)CC1)C(=O)NN	700437190	MBDSDOUVEMXTCJ-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C=CCNC(=O)N1CCc2c(B(O)O)cccc21	712132024	JTRORDKSLBRLNB-UHFFFAOYSA-N	246.075	-0.376	50	10	BBGE	
CN(C)C[C@@H](Cl)CN=c1nn[nH]n1C	717385959	JCTCQNWHBSLAOH-LURJTMIESA-N	218.692	-0.787	50	10	BBGE	
O=C(OCCl)N1CC(CO)(CO)C1	721393769	BLNXRFLVZQKWEG-UHFFFAOYSA-N	209.629	-0.394	50	10	BBGE	
C/C(=N\NC(N)=O)C1=C(N)S[N][C@H]1C	725558671	ZTXURODRDQCIPK-BNTYAIEMSA-N	214.274	-0.144	50	10	BBGE	
CO[C@H]1N=CC(=[S@]([O])(=O)N=C=O)S1	725569355	ZHTRAMPLIDGKPZ-RXMQYKEDSA-N	221.239	-0.255	50	10	BBGE	
COC(=O)C(C#N)=C1CS(=O)(=O)C1	725613421	WINNNLWEVRUGFP-UHFFFAOYSA-N	201.203	-0.592	50	10	BBGE	
CN1CC[C@@H](CC(=O)NNC(=O)C2CC2)C1	818421450	BVCPTGVOWAABIM-QMMMGPOBSA-N	225.292	-0.114	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C/[C@H]1CCCO1	819508259	MVCGPBVMFXHAEO-HQZHTGGTSA-N	242.275	-0.360	50	10	BBGE	
CCOCCOCC(=O)NN(C)C(=S)NC	854926190	UAOSWUGRFXAQNG-UHFFFAOYSA-N	249.336	-0.493	50	10	BBGE	
C#CC1(F)CN(C(=O)c2ccc(B(O)O)cc2)C1	919968019	UAWHKBPVRANOCM-UHFFFAOYSA-N	247.034	-0.836	50	10	BBGE	
N[C@@H]1CON(CCBr)C1=O	958715749	PEFVLRLKNZQICY-SCSAIBSYSA-N	209.043	-0.518	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNC(=O)CC1CC1	1141459242	JNVJHFRTIJFOAR-WAYWQWQTSA-N	239.275	-0.422	50	10	BBGE	
CSCC[C@@H](O)C(=O)NNC(C)=O	1290391647	JFOMTZULKUIMMQ-ZCFIWIBFSA-N	206.267	-0.732	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)C1CCC1	1293325606	VLKONKCLRPQUJI-ZETCQYMHSA-N	240.259	-0.113	50	10	BBGE	
Cc1nnc(NNC(=O)CCCC(N)=O)n1C	1330223790	HVBMFHSILKJOQU-UHFFFAOYSA-N	240.267	-0.778	50	10	BBGE	
COC1(C=NNC(=O)[C@@H]2CCC(=O)N2)CCC1	1331722320	FWAOUWHQKRDNDA-QMMMGPOBSA-N	239.275	-0.064	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1cn(C)nn1	1346157025	TYMUKBGDZBUHHF-BQYQJAHWSA-N	235.247	-0.125	50	10	BBGE	
CCOC(=O)NNC(=O)c1cnc(O)n1C	1472476076	FKTWPHUIWJJIBJ-UHFFFAOYSA-N	228.208	-0.483	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC23CC3)cn1	1532158336	UMFCMLGDRSLFSJ-QMMMGPOBSA-N	234.259	-0.019	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1632903576	JZMVEFYAGBMLOA-QMMMGPOBSA-N	240.263	-0.360	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1883639595	NPQHBQNCPCVZDR-MROZADKFSA-N	206.629	-0.858	50	10	BBGE	
CN(C)CCOC[C@@H]1C[C@H]1C(=O)NN	1884725329	KDNSQJFTGYQHBV-JGVFFNPUSA-N	201.270	-0.809	50	10	BBGE	
C[C@H](CCl)C(=O)NC1([C@@H](O)CO)CC1	1888176923	CFXVOZLNNFFJHR-RQJHMYQMSA-N	221.684	-0.137	50	10	BBGE	
CCC[S@](=O)N1CC[C@@](C)(B(O)O)C1	1891515995	CNGHOSXYJSHKJT-CLAHSXSESA-N	219.115	-0.001	50	10	BBGE	
CC(C)[S@@](=O)N[C@H]1CCC=C1B(O)O	1892923576	HMAOACWILWXCJL-RMLUDKJBSA-N	217.099	-0.251	50	10	BBGE	
O=C(NC[C@@H](O)C(=O)O)C1CC(Cl)C1	1893475799	XZVXNLQTBDPEON-JMMWHDCWSA-N	221.640	-0.435	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)/C=C/C(=O)Cl	1893498117	PHISWWYRJZMSNH-QQTLEDFYSA-N	221.640	-0.834	50	10	BBGE	
CCn1c(C)nn([C@@H](C)CC(=O)NN)c1=O	1894149249	HPEZXKGZVXMMRK-LURJTMIESA-N	227.268	-0.686	50	10	BBGE	
C[C@H]1C[C@@H]1COCCOCC(=O)NN	1898713800	SVXRLUQTGZSUHR-JGVFFNPUSA-N	202.254	-0.335	50	10	BBGE	
COc1ccn(C[C@H](C)C(=O)NN)c(=O)c1	1899441647	JBTKOYJYAHCRJP-ZETCQYMHSA-N	225.248	-0.517	50	10	BBGE	
C[C@H](CF)Nc1ccc(C=O)c(B(O)O)c1	1901243650	YLLLQJICVBCIJA-SSDOTTSWSA-N	225.028	-0.051	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2CCNC2=O)C1	1902515797	LYLGDAGMJAABMQ-WPRPVWTQSA-N	226.085	-0.939	50	10	BBGE	
Cc1ccnc(Cn2cc(B(O)O)cn2)c1	1902873211	RWNPWVUQDQDJCT-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@H]1C[C@H](OCCC(=O)NN)CCO1	1904779751	GEVRXSPKPLHHFT-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
O=C([C@@H]1CCCOCC1)N1CC[C@H](B(O)O)C1	1905584517	QBRKCTDUALNUKU-ZJUUUORDSA-N	241.096	-0.122	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@@H]1NC(=O)CCl	1906955763	LYMWTZDOZWIACE-NTSWFWBYSA-N	241.696	-0.847	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C(C)(C)CO	1927914904	ZOOGZRPLNFCUMA-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H](Cl)CCNC(=O)Cn1cnnn1	1928696849	SREIWDRWQKJYRP-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
COCCC1CN([C@@H](C)CC(=O)NN)C1	1932057482	KYOVOEWCIQEKNR-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CN(C)C(=O)[C@H]1COCCN1C(=O)CCl	1934087493	USLFQCUZLVLCER-SSDOTTSWSA-N	234.683	-0.459	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1CCCC(=O)N1	1936557195	PAQWXFYPZNQTCO-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CCOC[C@H]1Cl	1937159620	KEPVJXQNLLMDBA-RQJHMYQMSA-N	245.670	-0.814	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3CCC[C@H]32)CC1	1938248233	CKUUPGBGSXNNHM-HTQZYQBOSA-N	223.276	-0.233	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](OC)C1	1939552804	NCKWBBGUDKIONQ-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCCON)CC1	1939958099	UWOWRASBPBEXOH-UHFFFAOYSA-N	227.264	-0.466	50	10	BBGE	
C[C@]12CC[C@H]1CCN2CCOCC(=O)NN	1940009800	IPNMTUUWLUARAK-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
CNC(=O)OC1CN([C@H](C(=O)NN)C(C)C)C1	1943063538	UCAQWDMRNIQFIW-QMMMGPOBSA-N	244.295	-0.959	50	10	BBGE	
O=C1Cc2ccc(C(=O)NNCCO)cc2N1	1944215596	KCTWVTZNXJSOPN-UHFFFAOYSA-N	235.243	-0.592	50	10	BBGE	
O=C(CBr)Cc1nn[nH]n1	1952753727	BVSYHJQQEFLLBU-UHFFFAOYSA-N	205.015	-0.294	50	10	BBGE	
CCN(CC(N)=O)C[C@H](O)CBr	1953618724	VSPIQFSDIXGFFQ-ZCFIWIBFSA-N	239.113	-0.451	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NNCCO)CO1	1955379352	CRQNFXTXYGAXDZ-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC(O)(CO)C1	1956891359	YFKKRTDLJPWOQE-UHFFFAOYSA-N	221.684	-0.183	50	10	BBGE	
O=S(=O)(N1CCOCC1)N1CC(Cl)C1	1956896888	SXJZQHWXENPFTP-UHFFFAOYSA-N	240.712	-0.514	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(CO)(CO)C1	1957319773	YFOKNBQFCREXIS-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)N1CCSSCC1	1957357727	ARIDPCOQUBEXTH-RQJHMYQMSA-N	236.362	-0.082	50	10	BBGE	
O=C1CN(C(=O)OCCl)CCN1CCO	1961454939	MRRMZOFGQLBSRS-UHFFFAOYSA-N	236.655	-0.544	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](CF)C1	1961593222	UTDNZYDBTDXPPO-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
CC(C)[C@@H](C)Oc1ncncc1B(O)O	1961688309	SLNKAJXVFNWGQT-SSDOTTSWSA-N	210.042	-0.420	50	10	BBGE	
C[C@@H]1CCN1c1ncc(B(O)O)cc1F	1961717579	CKQKKHPCOAPVBD-ZCFIWIBFSA-N	210.017	-0.501	50	10	BBGE	
O=c1nc(Cn2cc(CCCl)nn2)[nH]o1	1961890097	WINAOYSEEPKGPR-UHFFFAOYSA-N	229.627	-0.216	50	10	BBGE	
C[C@H](CCl)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1	1978819173	YYQIHNCJQMMVQO-BWZBUEFSSA-N	247.726	-0.620	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	1978981212	WEZAGMQOCGDGLT-MIMYLULJSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC2(CC2)C1	1980204356	CFGYQFXEUDMCBA-UHFFFAOYSA-N	235.234	-0.524	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@H]1CCCNC1=O	1981025330	YOFJIOSUNKQWLD-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
COC[C@H](C)Oc1ncc(C)cc1B(O)O	1981423570	GHMUTZPLEHVNFZ-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
COC[C@@H](C)Oc1ncc(Cl)cc1B(O)O	1981424107	OBWWEDDRGBUZTR-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
OB(O)c1csc(N2C[C@@H](F)C[C@@H](F)C2)n1	1985766307	BHPGEWJVMADESD-OLQVQODUSA-N	248.063	-0.291	50	10	BBGE	
CC(C)(CN1CCOC[C@H]1CF)C(=O)NN	1985766859	IAOMMYWLJFEPIZ-MRVPVSSYSA-N	233.287	-0.327	50	10	BBGE	
NN=c1ccc(C(=O)NC[C@@H]2C[C@H]2Cl)n[nH]1	1991431456	DWDIAVIHPAEQMP-NTSWFWBYSA-N	241.682	-0.459	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N(C1CNC1)C1COC1	1991712841	LQWCZSHIYYDUJS-OWOJBTEDSA-N	244.678	-0.493	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ncc(B(O)O)cn1	1996645833	OUHYTSAIIQFRRV-LHLIQPBNSA-N	235.052	-0.859	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2001039742	CIMXMMAZPQVEHK-DNRKLUKYSA-N	239.319	-0.419	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCCN2CCC(=O)NN)C1	2004308096	ZOXDGYITFZDTDQ-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnn(C)n1	2004800200	IMGONDQEWSHGLC-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
Cc1cc(OC2CCOCC2)ncc1B(O)O	2004930519	UHWQUKUBBCJTGO-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CCN(CCN(C)C)c1ncccc1B(O)O	2004934488	FRLYNORYLUPAQC-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
Cc1nc(N2C[C@@H]3CC[C@H]3C2)ncc1B(O)O	2004970458	BWBFZWKCYUYTLS-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(C)CCOCC1	2006435095	FQAQTGYJKSHGDD-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC[C@H]2CO)C1	2010832341	HKIDHDLRPLNGPI-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H]1CCN(CCCCC(=O)NN)C1=O	2018141100	KRRUNPUHYINEJJ-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)O[C@H](C)C1	2019211447	QDBKQSWIVZVXNZ-DTWKUNHWSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](CCF)C1	2019211499	QIGZWROZNDUORA-SECBINFHSA-N	247.270	-0.786	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCOC[C@H]1F	2020495663	CQEQJQWAXGSLQN-BDAKNGLRSA-N	241.027	-0.733	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncccc2B(O)O)CCO1	2025212369	OKCBYKBNBNKUAL-IUCAKERBSA-N	237.064	-0.292	50	10	BBGE	
Cc1ccnc(N2C[C@H]3CO[C@@H](C3)C2)c1B(O)O	2052470565	FYSNARJAABJYRI-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@H]3C[C@@H]32)c1B(O)O	2052557020	QHYJMSPRQLUERP-LPEHRKFASA-N	247.107	-0.300	50	10	BBGE	
COc1c(B(O)O)ccc(C=O)c1[N+](=O)[O-]	2060275668	AVLYPEISSAMZIT-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
Cc1nc(OCCn2ccnc2)ccc1B(O)O	2064611806	NYIZCULYXNHOEV-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)c1cccc(B(O)O)c1	2079007951	CGVBSTALNLPWEX-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1cscc1B(O)O	2211140895	QIBUBWVUSZXAHX-GMSGAONNSA-N	242.105	-0.021	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)[C@H](C)CN1C	2212071055	PEZYOEKFMKSUPJ-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C#CC(C)(C)COc1ccc(B(O)O)cn1	2212600500	VYDZFRMPMPLZDA-UHFFFAOYSA-N	219.049	-0.200	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]3C2)c1F	2212604048	LKRIBZMRAIXSCX-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
CC(C)NCCOc1cc(B(O)O)ccn1	2212606968	CVSWBXBWZOGATQ-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C#C[C@@H](CCC)Nc1ncc(B(O)O)cn1	2212612552	LVOCYHQBYKQKEU-VIFPVBQESA-N	219.053	-0.630	50	10	BBGE	
Cn1ncc2cc(NC(=O)C(=O)NN)ccc21	2215518505	VCTUATCNOIXFSF-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H](C)O1	2217175595	KXIWNANXAPRSPI-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
OC[C@@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217184384	SAULFMWXCKJGOH-POYBYMJQSA-N	240.043	-0.917	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2[C@@H](C)O)cc1B(O)O	2217184630	QOWOHRHOHWTHJW-PSASIEDQSA-N	236.080	-0.971	50	10	BBGE	
Cc1cnc(N2CCC[C@H](O)C2)cc1B(O)O	2217184812	WPHLMTGTEZXQMQ-VIFPVBQESA-N	236.080	-0.969	50	10	BBGE	
CCC[C@H](CNc1ncccc1B(O)O)OC	2217198593	DDZUGPYFBZNCCB-SECBINFHSA-N	238.096	-0.012	50	10	BBGE	
CN(Cc1ccncn1)C[C@@H]1CC[C@H]1C(=O)NN	2221566730	KXCQRXGVZMFUHE-GXSJLCMTSA-N	249.318	-0.076	50	10	BBGE	
CN1CC2CC1(CNc1cc(B(O)O)ccn1)C2	2223632880	PFIWYAGLWUWRMF-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
Cc1cnc(N2CCC(C#N)CC2)cc1B(O)O	2223643579	XNDPDOVPEUAIJZ-UHFFFAOYSA-N	245.091	-0.190	50	10	BBGE	
CC[C@@H]1CN(c2ncccc2B(O)O)CC[C@H]1N	2223666203	KWUFENDRKQTNRK-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
CN(C[C@H]1CCCNC1)c1ccc(B(O)O)cn1	2223670879	DSFFLVDAKYSCRR-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
CS[C@H]1CC[C@@H]1NC(=O)C#CB(O)O	2241467902	CXHDCMKXEMQIML-BQBZGAKWSA-N	213.067	-0.988	50	10	BBGE	
CS[C@H]1CC[C@H]1NC(=O)C#CB(O)O	2241467905	CXHDCMKXEMQIML-RQJHMYQMSA-N	213.067	-0.988	50	10	BBGE	
O=C(NCCF)c1sccc1B(O)O	2241479473	YTRCUKBDQDCLHA-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@H]2CC[C@@H]2C1	2243350359	ZUYQRTJFPBULDH-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
CCNC(=O)c1c(F)cc(B(O)O)cc1F	2243366854	JOQLYHUEQCRMOL-UHFFFAOYSA-N	228.991	-0.606	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2F)s1	2243376204	GKCYLUMLIMDAHP-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
CONC(=O)c1cc(C)cc(B(O)O)c1F	2243385850	PQHVWBSSHRUMCW-UHFFFAOYSA-N	227.000	-0.895	50	10	BBGE	
O=C(NO[C@H]1CCOC1)[C@H]1C[C@H](B(O)O)C1	2243391938	PIFGZYLCUSJYIB-FXQIFTODSA-N	229.041	-0.924	50	10	BBGE	
C[C@H](O)C[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396176	ISUKHMAJCVBWJC-JBDRJPRFSA-N	229.085	-0.485	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2243397835	JZRSSYFOGJTJFN-HTQZYQBOSA-N	227.069	-0.635	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1C(F)(F)F	2243398850	HVTXEKIPIZHQEJ-ZCFIWIBFSA-N	234.970	-0.445	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCC[C@@H]1CO	2243404042	IFKALECNNMFDIK-VGMNWLOBSA-N	227.069	-0.777	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1nncs1	2243404454	OMOCQFMWVNWGER-HCWXCVPCSA-N	241.081	-0.422	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1csc(B(O)O)c1	2243408450	NIBBMKSEYGFBGZ-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
N[C@H]1CCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243408882	WZSDBAQUNPRZGU-YUMQZZPRSA-N	226.085	-0.621	50	10	BBGE	
CN(CC(F)F)C(=O)c1coc(B(O)O)c1	2243409959	RZXJVEVKRJYIRH-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
C=C(CS(=O)(=O)N1[C@H](C)CC[C@H]1C)B(O)O	2243411988	DNHMYHLYEVYVMX-RKDXNWHRSA-N	247.125	-0.243	50	10	BBGE	
CN(CCCF)C(=O)c1cc(B(O)O)co1	2244213857	KSPVJVYWZKLDTH-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCCC1	2244222572	UOASFLHHGPYVPO-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@H](C(=O)NN)C(C)(C)C	2245134940	HWVPUVXZKWAFJT-DJLDLDEBSA-N	229.324	-0.154	50	10	BBGE	
O=C(NN1CCCCC1)c1ccoc1B(O)O	2247741356	YJIFOCSQONPSJM-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
CC(C)C[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247746816	DVCHIVDHRAVDPU-MRVPVSSYSA-N	238.096	-0.141	50	10	BBGE	
CCON(C)C(=O)c1c(F)cccc1B(O)O	2247752255	LXEAMGMLLDMMDA-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@@H](O)[C@H]2C1)C1(B(O)O)CC1	2247755597	KLLPHPGEBRXMEW-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
N#CCCN(CCC#N)C(=O)C1(B(O)O)CC1	2247757873	XWOAFXIXKGYNHP-UHFFFAOYSA-N	235.052	-0.351	50	10	BBGE	
CC1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2247759476	RCJWTJSNDXJEAT-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
C=C(F)CNC(=O)c1c(F)cccc1B(O)O	2247760760	MZFPXYPUYHATDA-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCOC1	2247797206	HABADNOZASKRBA-OPRDCNLKSA-N	237.064	-0.900	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)C1CC(B(O)O)C1	2247798130	QIOLVPACKNQTBX-CKQMPDBCSA-N	239.080	-0.465	50	10	BBGE	
CCC(F)(F)CNC(=O)c1ccc(B(O)O)o1	2247847446	XJDNKXPNDXAQMA-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)c1ccccn1	2247847772	BKQOKZDMGSMMNL-UHFFFAOYSA-N	232.048	-0.552	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247848210	ILJJCIYBABAXHP-WRWORJQWSA-N	236.080	-0.530	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	2247848585	NUHOIQPNHWHSJR-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCC1	2247872902	AIENDYRSABFXMY-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
COC(=O)[C@@H](NC(=O)C1(B(O)O)CC1)C(C)C	2247875259	VAJITMXCOSEDIA-ZETCQYMHSA-N	243.068	-0.693	50	10	BBGE	
Cc1ccc(C(=O)NC2CCC2)c(B(O)O)c1	2247875358	WRUNHAGQPLDRDY-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C/C=C/CNC(=O)c1nccc(C)c1B(O)O	2247890456	NDRYGISPMMCJDP-ONEGZZNKSA-N	234.064	-0.624	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]2C)oc1B(O)O	2247891123	VJRZLSMGLWFFSZ-POYBYMJQSA-N	237.064	-0.252	50	10	BBGE	
CN1CC2CC1(CNC(=O)[C@H]1C[C@@H]1B(O)O)C2	2247898083	AGSRKCOTTLNPFI-QMFGVRBNSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248573520	FXABQQZTFGWYDL-XLPZGREQSA-N	241.052	-0.828	50	10	BBGE	
CC1(C(=O)O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2248573749	JJIXWXFVZWCNHK-LJGSYFOKSA-N	241.052	-0.828	50	10	BBGE	
O=C(NC1(C(=O)O)CCC1)C1CC(B(O)O)C1	2248576618	HSRWBYZUTAGELE-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2249419484	HSYRZDLTFZOPPT-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
COc1nn(C)cc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2250088677	DGHYZEIAZUQSKA-RITPCOANSA-N	239.040	-0.770	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)C[C@@H]1CCCO1	2250586179	COPFGAHYLPHWGT-QMMMGPOBSA-N	245.279	-0.262	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)c[nH]1	2255471955	AUCRALGSHCPLRH-DOFRTFSJSA-N	248.091	-0.387	50	10	BBGE	
NC(=O)c1ccccc1NC(=O)C1(B(O)O)CC1	2255483304	BWOLJXGSYSHJQD-UHFFFAOYSA-N	248.047	-0.269	50	10	BBGE	
Cc1nccnc1NC(=O)c1occc1B(O)O	2255487156	KWTDCMKICCRXKX-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cccc(F)c1B(O)O	2255499430	ACQNHXMKHBHOFK-MRVPVSSYSA-N	247.034	-0.647	50	10	BBGE	
Cc1cccc(C(=O)NC2[C@H]3CC[C@H]23)c1B(O)O	2255510695	ZNEKESHZBXIIIQ-IUCAKERBSA-N	245.087	-0.187	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H]2CCOC2)c1	2255512019	SSNVFAVAUXAMSH-NSHDSACASA-N	249.075	-0.806	50	10	BBGE	
CN(Cc1cncn1C1CC1)C(=O)C#CB(O)O	2255670949	KKGVHPSBIDCFTE-UHFFFAOYSA-N	247.063	-0.808	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1ncon1	2255719804	INXDSUWMXQKHTN-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC1CC=CC1)c1cccc(B(O)O)c1F	2255720685	UWMAJKMLROFVBY-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@H]2C[C@@H]21	2255727854	WPANIDCITWLUOZ-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
C=C1CON(C(=O)c2cc(C)ccc2B(O)O)C1	2255730136	HNFNRHQQDRWNHC-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
Cc1nc(NC(=O)c2occc2B(O)O)[nH]c1C	2255743955	HFNNSKXJHPBJGN-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1ncc(B(O)O)cn1	2255773765	FRJBJTNYOYHZMC-MRVPVSSYSA-N	249.079	-0.759	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)ccc2O)CC1	2256016193	DRACSMPHNQAQAZ-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
C[C@H](NC(=O)c1nccnc1B(O)O)C1CCC1	2256057336	XDLBOSMLELHZQM-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
COC[C@]1(C)C=CCN1c1cc(B(O)O)ccn1	2257126829	LGDPUOMYIVFYKF-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)co2)nc1	2258129167	UJIVACUVDYGUJC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]3NCC[C@H]32)CC1	2258498877	DVPOIHCULSUTID-AXFHLTTASA-N	249.314	-0.139	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CCO)[C@@H]1C[C@H]1B(O)O	2298377360	NTSOSSMCKQYQFW-JLIMGVALSA-N	241.096	-0.483	50	10	BBGE	
CN1CC[C@@](C)(COC[C@@H]2C[C@H]2C(=O)NN)C1	2298814659	DSNBOJGKFSXJNZ-HOSYDEDBSA-N	241.335	-0.029	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@H]2C[C@H]2C1	2301340642	GTNGTGRHTWXNKU-AOOOYVTPSA-N	228.060	-0.306	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](F)C2=O)n1	2301876300	JWHHYLWCIHMADZ-RXMQYKEDSA-N	242.210	-0.652	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2(CN(C)C2)C1	2302049802	KPYYOAPSQSTMSJ-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
OC[C@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303834766	LMKOFYGAUYTJLX-LJGSYFOKSA-N	240.043	-0.917	50	10	BBGE	
CC1(CF)CN(c2cc(B(O)O)c(F)cn2)C1	2303836276	KEMSNMPFPUZLIY-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2CC23CC3)[nH]cc1F	2303847624	LQKZEPRFRJJMEU-ZETCQYMHSA-N	236.055	-0.466	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@]12CNC[C@@H]1C2	2317160934	ADQSQKHJYRSKTA-JOYOIKCWSA-N	243.075	-0.988	50	10	BBGE	
NC[C@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317310056	YRVYRLGBGCJKEJ-PELKAZGASA-N	248.091	-0.672	50	10	BBGE	
C=CCN(CCO)c1ccc(C=O)c(B(O)O)c1	2317310946	IOCIVMHUOWRETG-UHFFFAOYSA-N	249.075	-0.836	50	10	BBGE	
CCNC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	36779882	XQFHCWOGQCZSEB-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
CN(C)[C@H]1CCN(CCCC(=O)NN)C1	82469331	IOFNIUCFKZHNPK-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CCNC(=O)CN(CC)CCCCC(=O)NN	104107590	WQTGVDBOXAFBOC-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
NNC(=O)c1cc(CN2CCCOCC2)on1	110584365	KUNPKIYJCANIED-UHFFFAOYSA-N	240.263	-0.500	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	111397443	UCZNMMTYEPLWJI-IXMYILBSSA-N	241.335	-0.011	50	10	BBGE	
O=C(O)[C@@H](Cl)CSC[C@@H](O)CO	132998594	HCVJUTLNOVZFOD-WHFBIAKZSA-N	214.670	-0.235	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(O)CCCC1	162483261	USTRODJPCXAADO-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](Cc1cccc(B(O)O)c1)NC=O	208612557	ZGBYAJPRNGJTJY-MRVPVSSYSA-N	207.038	-0.957	50	10	BBGE	
COC(=O)CN(C)S(=O)(=O)CCCl	232295031	VQFDBSVBDUYEOU-UHFFFAOYSA-N	229.685	-0.340	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1C	232418811	ZMRQEJVVIDYUHK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C1NC2=C(C(=O)OC2)[C@H](CCl)N1	238499561	PYCQBQHIESAHQE-VKHMYHEASA-N	202.597	-0.283	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)C[C@H]1C	250234851	GPUPNYDSYNKANO-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
[C-]#[N+]C1=C[C@](O)([C@H](C)O)[C@H](O)[C@H]1Cl	306316570	CPHWWEVFVFERCX-JPCMASIJSA-N	203.625	-0.117	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC1(F)F	306883157	JZYOJPVNFSEREA-SCSAIBSYSA-N	207.180	-0.720	50	10	BBGE	
COC[C@@H](C)CN(C)[C@H](C)C(=O)NN	308493992	CNQYDQXTPJKUPM-JGVFFNPUSA-N	203.286	-0.421	50	10	BBGE	
CC[C@@H](CN1CC(=O)OC(=O)C1)OC	308586112	RYXDBFJHBSTHKI-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
C[C@@](N)(C(=O)NNC(=O)C1CC1)C1CC1	309382704	DMGSDGOUUYKQHG-JTQLQIEISA-N	211.265	-0.329	50	10	BBGE	
CC(=O)Nc1ccc([C@@H](C)O)cc1B(O)O	380513904	QLIQSNKLESYHJY-ZCFIWIBFSA-N	223.037	-0.622	50	10	BBGE	
COCC(COC)Oc1ccccc1B(O)O	385016048	YXXLDXUCJSDXTF-UHFFFAOYSA-N	240.064	-0.593	50	10	BBGE	
C[C@H](CN1C[C@H](O)C(C)(C)C1)C(=O)NN	388188134	ORWDFQSOSNFIEP-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@H]1O	399925710	QVXQBCKUDNLZRC-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C=CCNC(=O)NCc1sccc1B(O)O	405083477	NUMHDDXVQFZULR-UHFFFAOYSA-N	240.093	-0.587	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)CBr	642870909	OEVIWMYAQSWNRM-YFKPBYRVSA-N	242.094	-0.748	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@@H]1C(=O)OC[C@H]1O	675078893	AZZJLAUNLGREAI-RITPCOANSA-N	235.667	-0.346	50	10	BBGE	
Cc1nn(C[C@H]2CCOC2)c(C)c1B(O)O	694230175	SZHONMDLNCJSCA-SECBINFHSA-N	224.069	-0.784	50	10	BBGE	
NNC(=O)c1ccoc1Cn1ccnn1	699004073	WXBUYYVEXBLXDS-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	702404976	JDSYNGUNIHOTOZ-HOSYDEDBSA-N	240.351	-0.362	50	10	BBGE	
COCCOC1CN([C@H](C)[C@H](C)C(=O)NN)C1	707345921	HSILTHHSVBJECJ-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
NS(=O)(=O)[C@H]1CCN(C(=O)OCCl)C1	707499131	NPNVDKFTPKPPCG-YFKPBYRVSA-N	242.684	-0.318	50	10	BBGE	
CN1C[C@@H](CN2CCC(O)(C#N)CC2)OC1=O	709782869	OHHMWGKTUYNKEM-VIFPVBQESA-N	239.275	-0.213	50	10	BBGE	
O=C(N[C@@H]1COCC[C@H]1Cl)[C@@H]1COCCO1	710868725	ADRGUCGVUANRMG-HLTSFMKQSA-N	249.694	-0.086	50	10	BBGE	
NC(=S)NNC(=O)C1CC2(CSC2)C1	718470866	DRRNITQYQHFKMK-UHFFFAOYSA-N	231.346	-0.006	50	10	BBGE	
O=C(O)C(=O)CS(=O)(=O)CCCl	725377096	ICMXDJGAQDXPSB-UHFFFAOYSA-N	214.626	-0.706	50	10	BBGE	
O=C(NN=C[C@@H]1CCCOC1)[C@@H]1COCCO1	814860178	CRDKTALFZYPVKD-UWVGGRQHSA-N	242.275	-0.070	50	10	BBGE	
CS(=O)(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	844669013	GKCXTVYPMOPEOJ-DSYKOEDSSA-N	234.277	-0.866	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NN(C)C[C@@H](C)O	910185422	ZIPWUQBEQPHXHD-SCZZXKLOSA-N	243.307	-0.659	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1nnc(C)n1C	912676493	AMQSKZMLTMCRIY-KPJROHGDSA-N	225.252	-0.496	50	10	BBGE	
NOCCN1C[C@H](Cl)C(=O)NC1=O	953078863	GTPMQASJHHESDJ-BYPYZUCNSA-N	207.617	-0.964	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1130344243	VTIAKUZPRKWHSC-FNCVBFRFSA-N	237.259	-0.282	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)c2cn[nH]c2)c1C	1168104591	MPRVXSXLXIPXJM-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)c1ncccn1	1528986318	NOUNVOVXPKACKV-ZCFIWIBFSA-N	240.288	-0.011	50	10	BBGE	
Cc1onc(CO)c1C(=O)NNC(=O)N(C)C	1544265072	GOVYZVMKYQKJEY-UHFFFAOYSA-N	242.235	-0.609	50	10	BBGE	
CN(NC(=O)C1CCS(=O)(=O)CC1)C1CC1	1639569779	XGDZFNWCNZPTMD-UHFFFAOYSA-N	246.332	-0.063	50	10	BBGE	
N=C(N)NC(=N)N[C@H]1C[C@@H](Br)C1	1880965359	XCHTXDFRQPCLIA-ZXZARUISSA-N	234.101	-0.080	50	10	BBGE	
O=S1(=O)CC[C@@H](CNOCCCl)N1	1883009713	CQVJVTAXVDAIFB-LURJTMIESA-N	228.701	-0.562	50	10	BBGE	
C[C@H](C(=O)NOCCCl)S(C)(=O)=O	1883010049	IRGSLKCCGAWLEV-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
Cn1c(O)n[nH]c1=NC(=O)OCCl	1883814079	AVGVPEOYBXWODC-UHFFFAOYSA-N	206.589	-0.313	50	10	BBGE	
CO[C@H]1CCNC[C@H]1C(=O)NN(C)C	1886166703	BKRZPLYJJGIMQL-SFYZADRCSA-N	201.270	-0.796	50	10	BBGE	
O=C(NOCCCl)[C@@H]1CCCS1(=O)=O	1888316445	RFILOJUNYQWOEE-LURJTMIESA-N	241.696	-0.150	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)C(=O)NN	1890503077	HGNQWGIQYJOXDG-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCCCCC(=O)NN	1896032648	NLUJRRFEKCOJEA-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@@H]1CO	1900534633	QMXNJFXFDCQOMZ-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCn2cccn2)C1	1902517543	JHJKMSWRIQLYIV-JTQLQIEISA-N	223.085	-0.178	50	10	BBGE	
CC[C@](C)(CN1CC[C@@]1(C)CO)C(=O)NN	1902715404	HAZPHKLMKGGKOU-MNOVXSKESA-N	229.324	-0.151	50	10	BBGE	
Cc1scc(C(=O)N[C@@H](C)CF)c1B(O)O	1902864147	VMGVHXSMBBXLGZ-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
OB(O)c1cc(N[C@H]2CC23CC3)ncc1F	1903005241	DWZKPFLPDGXDNV-QMMMGPOBSA-N	222.028	-0.135	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C[C@]1(C)OC	1911049779	POOGNXNCSDRFLN-KKZNHRDASA-N	245.323	-0.509	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC(OC)C1	1914814204	NCKWBBGUDKIONQ-AMDVSUOASA-N	231.296	-0.900	50	10	BBGE	
CN(C(=O)NC(=O)CCl)C1COC1	1915720057	FFHASICFRFKRCY-UHFFFAOYSA-N	206.629	-0.208	50	10	BBGE	
C[C@H](CCO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1916510239	DULKPMWSHNHHTK-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
C#CC1(O)CN(S(=O)(=O)CCCl)C1	1917122030	YEYBWGZJODCVOH-UHFFFAOYSA-N	223.681	-0.765	50	10	BBGE	
CCOC[C@@H](C)OCCOCC(=O)NN	1928179938	VTPRBFTWSCEIFW-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@@H](F)C2)c1	1930621590	LGLXZKLQXLTBTR-IONNQARKSA-N	212.033	-0.299	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CSC1	1931260705	SUJWTOKNJYXZPE-UHFFFAOYSA-N	215.322	-0.196	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](F)C[C@@H]1C(=O)O	1931745513	UCCYSQZJBBRXPE-PHDIDXHHSA-N	219.216	-0.330	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@H]1C[C@H]1C(=O)NN	1936082412	FENZACMUDNHEHR-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)CCO1	1938247323	RLTQAAWVKHJZQR-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2CC[C@H]21	1938600022	NMTYWUOCVRTCOQ-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)CCCO1	1941784759	VIBZUOSOYMPIKH-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CN1C[C@H]2CN(CC3(C(=O)NN)CC3)C[C@H]2C1	1945882450	IGAHXTIHRIKAAY-AOOOYVTPSA-N	238.335	-0.750	50	10	BBGE	
Cn1nnnc1N1CC(F)(CCl)C1	1954087155	BUPWKBSRLDFSLT-UHFFFAOYSA-N	205.624	-0.023	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1CF	1956881778	GMYVFKPDMHSSOW-ZCFIWIBFSA-N	203.217	-0.673	50	10	BBGE	
CO[C@@H]1CC(C(=O)N(C)N)C[C@H]1OC	1957302326	UKQXMNUKPQKWAZ-HTQZYQBOSA-N	202.254	-0.242	50	10	BBGE	
CCc1nc(C(=O)NNCCO)c(C)o1	1958725560	OPPKLNMAERNSCO-UHFFFAOYSA-N	213.237	-0.228	50	10	BBGE	
Cc1cnc(CN(C)C(=O)C(=O)NN)s1	1961270723	KDQICGOISCSDFR-UHFFFAOYSA-N	228.277	-0.600	50	10	BBGE	
OB(O)c1cncnc1S[C@H]1CCOC1	1961709248	XEVQVVTWCNVRHS-LURJTMIESA-N	226.066	-0.963	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(C[C@@H](C)C(=O)NN)C1	1976442816	YSKJDGWQTHWFFS-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)C(=O)NN)CCO1	1977314293	OMEYYDJAGLXQGY-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CN(C)C[C@H]1C[C@H](N2CC(=O)OC(=O)C2)C1	1980619791	UAXAVFIDDCNYSP-KYZUINATSA-N	226.276	-0.288	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ncccc1B(O)O	1981425391	FZVQRXTVBIEINK-YUMQZZPRSA-N	224.044	-0.302	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NC(=O)CCl	1982022743	HBUUALNCYYSPKB-PHDIDXHHSA-N	247.682	-0.295	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C(C)(F)F	1984261703	KXFNZBRNIJPNLY-BQBZGAKWSA-N	239.266	-0.033	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCO[C@@H]2C1)C(=O)NN	1986658993	AKIIDRHXIZZXFE-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	1988837083	LAGASTVGUUCOPG-QVWMKHDWSA-N	231.271	-0.700	50	10	BBGE	
CCCN(C)C1CN([C@H](CC)C(=O)NN)C1	1989652917	CCLSPOSXPITDIH-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnco1	1991326032	CDKGMTFPGPXITD-SSDOTTSWSA-N	222.009	-0.495	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CNCC[C@@H]1CO	1991716946	QIKMEWQUFJCYRE-FLPBZWPXSA-N	246.694	-0.605	50	10	BBGE	
CC(C)(CN1C[C@@H](O)C12CCC2)C(=O)NN	1993529410	UXERKUKMXDIWIQ-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
OB(O)C=Cc1cc(N2CCOCC2)ncn1	1996425741	XFQHPAZDHNXRKP-UHFFFAOYSA-N	235.052	-0.662	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1CC=CCC1	1998137572	MVIMZURKGPWLNR-HTQZYQBOSA-N	241.052	-0.615	50	10	BBGE	
O=C1CN(C[C@@]23COC[C@@H]2C3(F)F)CC(=O)O1	1998710548	BVUQWQYPIVRPCG-IMTBSYHQSA-N	247.197	-0.347	50	10	BBGE	
CO[C@H]1C[C@H](N(C)[C@H](C)C(=O)NN)C[C@H]1OC	2001480399	JYHMFQKZSJNVJV-KYXWUPHJSA-N	245.323	-0.511	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)C[C@@H]1C	2004844554	TXZWBNDXTNIAFV-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
CC(C)(C)C1CN(c2ncncc2B(O)O)C1	2004916456	LTJHAGQZRRDYJE-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1ccc(-n2cc(C3CC3)cn2)nc1	2004991676	UBHNLGQWUFDQIS-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
OB(O)c1cnc(N2C[C@H](F)[C@H](F)C2)c(F)c1	2005014509	MLLZWIZJLZDSPQ-OCAPTIKFSA-N	245.997	-0.603	50	10	BBGE	
COCc1cccc(CNC(=O)C(=O)NN)c1	2006788712	UUHAEHYMVZNRAM-UHFFFAOYSA-N	237.259	-0.561	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)ccc1=O)C1CCC1	2008840109	HLUFRMDXWFPDJZ-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2OCC[C@H]2F)c1	2009181765	LOPBTQRXSRETPG-ZJUUUORDSA-N	241.027	-0.733	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@H]1C1CC1	2014008149	XBPXCGAPORAXPE-CHWFTXMASA-N	239.319	-0.542	50	10	BBGE	
C=CC1(O)CN(Cc2ccc(C(=O)NN)o2)C1	2018884332	VAOMRBFZWYHFDA-UHFFFAOYSA-N	237.259	-0.384	50	10	BBGE	
C=C(Cn1c2c(ncc1=O)CCCC2)B(O)O	2021158419	BSQFVLXLTXFRNN-UHFFFAOYSA-N	234.064	-0.310	50	10	BBGE	
CCN(CCF)C(=O)c1cccc(B(O)O)c1	2022200596	VVRBBTOTRQSUMA-UHFFFAOYSA-N	239.055	-0.202	50	10	BBGE	
Cc1nc(C(=O)Nc2cc(B(O)O)ccn2)co1	2031814802	ISRSOCPFQKOZKP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(C2CC2)C1	2050241876	BWEVPHVLBLTVFY-UHFFFAOYSA-N	249.318	-0.135	50	10	BBGE	
NCc1ccc(C(F)(F)F)c(B(O)O)c1	2059121379	VJLKREUSHJVHDK-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
OB(O)c1cnn(CC2CC2)c1OCC1CC1	2060015237	QUMBJMNPDOLNCD-UHFFFAOYSA-N	236.080	-0.238	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(C#N)cc1B(O)O	2060212831	XMOVVWNEJNLVOG-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
N#Cc1ccc(C=O)c(C(F)F)c1B(O)O	2060234931	CEGHFDJMEJRGCT-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CCc1cc(B(O)O)cc(C#N)c1OC	2060261473	USGUZPKRXCUTTJ-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(C)c1B(O)O	2060380641	LYAJAMQUCHLDPF-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1ncn(C)c1C(=O)N[C@@H]1CCC=C1B(O)O	2076078520	ILSCOMYPOIZVNB-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CN3CCC2CC3)nc1	2077336984	IZZVMYJQCBEJOS-NSHDSACASA-N	248.091	-0.766	50	10	BBGE	
CN(CCOCc1ccc(B(O)O)cc1)C1CC1	2080347287	RHPJWWPRJQYCCB-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1OC[C@@H]2CCCC[C@H]21	2210293467	AGKDSFHCKSZWGM-DJLDLDEBSA-N	227.069	-0.680	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)C[C@@H](O)C1	2210693299	IKPZDTYEOAEYAM-NTSWFWBYSA-N	241.213	-0.984	50	10	BBGE	
Cc1c(C(=O)NCB(O)O)cnn1C1CC1	2211666849	JMLNITDMDXXEFN-UHFFFAOYSA-N	223.041	-0.732	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@H]1C(=O)NN	2211827386	GOKYZPQALJBWSP-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
CC[C@@H](N)COc1cc(B(O)O)c(C)cn1	2212604012	KWNYWPNJKNIDNX-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2212613186	SZBLTJMFRQDBCQ-CBAPKCEASA-N	222.053	-0.792	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1=O	2214598325	FXCDDEPUJVLRFW-SECBINFHSA-N	233.076	-0.265	50	10	BBGE	
C[C@H]1CCNC[C@H]1Nc1ncccc1B(O)O	2217176259	UGSDCOKINVWWKC-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
C#CCC1CN(c2nccc(B(O)O)c2F)C1	2217182983	HYUNYEXAJDSIGX-UHFFFAOYSA-N	234.039	-0.640	50	10	BBGE	
C[C@@H](N)C(C)(C)COc1ccc(B(O)O)cn1	2217183556	JIFHCFNRGSIPPO-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
CC[C@@](C)(N)COc1cc(B(O)O)c(C)cn1	2217185170	UPPQKCRXJUJOOZ-LLVKDONJSA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@H]32)c1F	2217185273	UVIAWSQVWYZANG-VXNVDRBHSA-N	236.055	-0.111	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Nc1ccc(B(O)O)cn1	2217200051	QQHKJMLGKHYDPY-RKDXNWHRSA-N	235.096	-0.701	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ncc[nH]1	2217204304	HYTBLEFHHQRSFG-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
CN1CCC[C@H]1CCN=c1ccc(B(O)O)c[nH]1	2223643877	BPKOPCMOYNCETP-NSHDSACASA-N	249.123	-0.921	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1F	2223653055	NREJKSNXWXAVIF-OLVDIKASSA-N	248.066	-0.033	50	10	BBGE	
CN(Cc1ccnn1C)c1cc(B(O)O)ccn1	2223668495	XGAFUIYUBSNDBJ-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1c1cc(B(O)O)ccn1	2223670434	XVXJSOUTOTXBDZ-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)nc1	2223677067	JPHPCLLLRVPXSP-GHMZBOCLSA-N	248.091	-0.259	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1c1cc(B(O)O)ccn1	2223680117	YVOGDSMWARWVGG-NSHDSACASA-N	247.107	-0.932	50	10	BBGE	
CCCN(OC)C(=O)c1ccoc1B(O)O	2243349434	LFOLCGAXXSDVAW-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccoc1B(O)O	2243349982	TZHXBRUDDXUINX-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@@H]1C1CC1	2243356942	OXKCIJIKFKCNSK-ZJUUUORDSA-N	221.065	-0.351	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCC[C@@H]1F	2243362709	VIIFYDLSMNPVDX-DTWKUNHWSA-N	227.044	-0.259	50	10	BBGE	
CN(O)C(=O)c1cc(F)c(B(O)O)cc1F	2243392704	JWPVJESQNBYSTF-UHFFFAOYSA-N	230.963	-0.894	50	10	BBGE	
O=C(C#CB(O)O)NCC1CCC(F)CC1	2243398223	BZDPLBGAEPWLOI-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1csnc1B(O)O	2243398488	QBXABOQIIMLDNG-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
O=C(Nc1cnsc1)c1ccc(B(O)O)o1	2243400572	DEWYESHWJZUALG-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C#CCNC(=O)c1cc(B(O)O)ccc1C	2243409324	GAEBNJASSGBZSJ-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2243752080	FHUIBJNXNQGCDS-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
O=C(NCC=C(F)F)c1ncsc1B(O)O	2243771409	MKMNGPLIQQHGAN-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
C=C(COCCN1CCOC[C@H]1C)B(O)O	2244056057	MRWHIHRMHLMLAC-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
CON(C)C[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2245521578	VRCGURUOUQSXBJ-UWVGGRQHSA-N	229.280	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C[C@H]2CCCC[C@@H]21	2246629611	IAHBKPGKAKVRSC-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@H]2CCCCC[C@@H]21	2247747405	NBRSPPRBELTOJW-IUCAKERBSA-N	235.048	-0.681	50	10	BBGE	
CC(C)CCN(C)C(=O)c1cc(B(O)O)c[nH]1	2247748117	XYCLPBUYRSTLFI-UHFFFAOYSA-N	238.096	-0.187	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2CN1C(=O)C1(B(O)O)CC1	2247759229	ZXQIQZAVMWVLLK-JGVFFNPUSA-N	237.064	-0.222	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)CN(C)C	2247798152	QOQKCPVOCBDJKG-XNWIYYODSA-N	242.128	-0.447	50	10	BBGE	
CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247805946	LIZKJVOLIFVHTO-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
CN(C)C1CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806965	PGVGAMGQXNAQLA-QLEHZGMVSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2cccnc21	2247810675	ZIKLPDDWSGJYRR-BDAKNGLRSA-N	232.048	-0.166	50	10	BBGE	
CC(C)c1nocc1CNC(=O)C#CB(O)O	2247846383	FQRCSDMAJDAMBO-UHFFFAOYSA-N	236.036	-0.570	50	10	BBGE	
CC(C)(C)[C@@]1(O)CCN(C(=O)C#CB(O)O)C1	2247849304	YJQZJTVAYLLZIF-LLVKDONJSA-N	239.080	-0.989	50	10	BBGE	
CCC[C@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850347	NFTXJBOEQMMCQU-QMMMGPOBSA-N	238.096	-0.045	50	10	BBGE	
CC1(C)CC(NC(=O)c2occc2B(O)O)C1	2247879494	SWOJZFDVBIHGPX-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@]1(C2CC2)CCOC1)[C@@H]1C[C@@H]1B(O)O	2247886696	FJMZIKWFYBVWMR-WCABBAIRSA-N	239.080	-0.465	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894904	LZIILFPTCUURJP-FNCVBFRFSA-N	237.064	-0.366	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247899849	QQKGZVVAAKPRKR-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
N[C@@]12CC[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2247904880	RGFBDRFWNLRXLD-FOLWWEGKSA-N	238.096	-0.811	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CCOC1	2247946851	OMGHSCPKUWJULC-UHFFFAOYSA-N	236.036	-0.812	50	10	BBGE	
C[C@H](F)CNC(=O)Nc1ccc(B(O)O)cc1	2247971574	NUMRHXCGHGJAPN-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
CC(C)[C@](C)(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248578326	MXHLTALLAFNELH-PJKMHFRUSA-N	243.068	-0.535	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(C(F)F)C1	2249422753	FWZIEANKSRJHJV-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1ccc(B(O)O)o1	2255461401	HMTCTESWOBMAQJ-HRDYMLBCSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1ccoc1B(O)O	2255461747	LTNGNFCEJNHETI-ZOZBQHSOSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CC[C@H]1C2	2255482548	WIDHDYUWMIVZEO-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nn2cccc2)n1	2255486595	CRMFTJQAFLALCG-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
C#CC(C)(C)NC(=O)c1nc(C)ccc1B(O)O	2255487966	XJSGHWZUWODECR-UHFFFAOYSA-N	246.075	-0.789	50	10	BBGE	
N#Cc1c[nH]cnc1=NC(=O)C1(B(O)O)CCC1	2255490644	LIRVQXFWJLULLD-UHFFFAOYSA-N	246.035	-0.894	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@]12CCC[C@@H]1C2	2255501245	FVRYGGYWSANVIS-PELKAZGASA-N	248.091	-0.623	50	10	BBGE	
CCC1(CNC(=O)c2ncncc2B(O)O)CC1	2255520142	HKNHHHJDEBSGQH-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ncc(C)cc1B(O)O	2255559751	YCSBUBHROYOJGR-VIFPVBQESA-N	246.075	-0.836	50	10	BBGE	
CCC1(NC(=O)c2ccc(B(O)O)cc2O)CC1	2255953288	GUHMBKALBQSJNZ-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256018436	NBNPAQNFQIIIPC-MRVPVSSYSA-N	249.075	-0.234	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ncccc1O	2256597987	LLNDXYQDUUUEIT-MRVPVSSYSA-N	248.047	-0.382	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC=CCO1	2256605795	OBCSBETVRCHKJL-VIFPVBQESA-N	248.047	-0.955	50	10	BBGE	
C#CC1(CNC(=O)c2cocc2B(O)O)CCC1	2258128398	PGQHTCFRVNFVEB-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCCC[C@H]21	2258151945	XCBLQYMJMYIVTF-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)c(O)c1	2258955909	BNVBTQYAHUAFJB-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CCOC(=O)C=Cc1ccc(B(O)O)cc1	2293806367	OVNZUEJWYIMMSW-UHFFFAOYSA-N	220.033	-0.057	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369786	FMBDJNFYTYPVSP-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)C12CCC2	2298375782	ZJDNOFFCNDKDCU-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnccn2)C1	2303116083	ZKKHAPAGDMKHSE-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
O=Cc1ccc(N2C[C@@H]3C[C@H](C2)O3)cc1B(O)O	2317313533	YNCHXPBSIJYXOY-PHIMTYICSA-N	247.059	-0.844	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	70191545	MLIRTEXPEYTFFM-MRVPVSSYSA-N	221.216	-0.310	50	10	BBGE	
CN(CCC#N)Cc1cc(C(=O)NN)no1	82466435	PITLKZZRXOEDJB-UHFFFAOYSA-N	223.236	-0.376	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCN(C)C1	82468758	FQEKSHJBVYZFDR-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
NNC(=O)CCCCn1ccc(C(N)=O)n1	82877942	UFZHCGPFGIJAQR-UHFFFAOYSA-N	225.252	-0.858	50	10	BBGE	
N#Cc1ncn(Cc2ccc(C(=O)NN)cn2)n1	94764185	KSUIJQCCUYKCDB-UHFFFAOYSA-N	243.230	-0.803	50	10	BBGE	
COC[C@H](C)N(C)Cc1cc(C(=O)NN)no1	110586266	ATHLBHIUJPQOPC-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
N#Cc1cccn1C[C@@H]1CC[C@@H](C(=O)NN)O1	160512850	CKZKXDBBLOPPNQ-UWVGGRQHSA-N	234.259	-0.103	50	10	BBGE	
CC(=O)Nc1ccc(NC(C)=O)c(B(O)O)c1	204752392	QXGJKOBFDBELCE-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
CCCC[C@@]1(N)CCN([C@H](C)B(O)O)C1=O	210982397	OGCQNEGJCPFOIS-PSASIEDQSA-N	228.101	-0.493	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)[C@@H]1CC	211724931	DPNQNMBPOLBEOR-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251431	SZWZZVNPTNHHQB-GMTAPVOTSA-N	242.367	-0.117	50	10	BBGE	
Nc1oncc1-c1ccc2c(c1B(O)O)OCO2	258268618	CHMICEUQGNYHKD-UHFFFAOYSA-N	248.003	-0.668	50	10	BBGE	
COc1ccc(C[C@H](N)C(=O)NN)cc1C	258939616	CFCGTITUSFVBKY-VIFPVBQESA-N	223.276	-0.137	50	10	BBGE	
C[C@@]1(O)CCC/C(=N\NC(N)=O)[C@@H]1O	306782579	KOLJHRKQGBHBCP-HDHNCBKCSA-N	201.226	-0.694	50	10	BBGE	
COC(=O)c1ncn(C[C@@H](O)CCl)n1	308546092	PPWGWTYNANTCDV-YFKPBYRVSA-N	219.628	-0.336	50	10	BBGE	
NC(=O)N/N=C/CCC1=NNC(=O)NC1	308677467	GXSXDRJJLQLRTA-XCVCLJGOSA-N	212.213	-0.911	50	10	BBGE	
COC[C@@H]1CCC[N@+]12Cc1ccccc1[B-]2(O)O	310639411	SIVRDQIYIGTHMD-WFASDCNBSA-N	249.119	-0.044	50	10	BBGE	
OB(O)c1ccc(Cn2cnc(C3CC3)n2)cc1	311243390	YNIIETDXMUOPJC-UHFFFAOYSA-N	243.075	-0.116	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1c1nncn1C	380217654	VKXPULXNNZRQCG-JGVFFNPUSA-N	238.295	-0.670	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1Cc1ccc(B(O)O)cc1	380287976	ABOIXPVQFAVOJN-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@H](C)C(=O)NN	383059368	HUMVVGBWPXKJHH-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
COC[C@@H](C)N(C)Cc1nc(C(=O)NN)co1	386910848	CBUAXQDVTIOUAG-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(C(=O)NN)o2)C[C@@H]1O	388911491	UKOSJVWBCVRUPZ-APPZFPTMSA-N	239.275	-0.304	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]2NCNC(=O)[C@@H]2C[C@@H]1Cl	389673266	YDUGXYUUBQDSDD-JWXFUTCRSA-N	232.667	-0.250	50	10	BBGE	
CC(C)(CCn1ccc(C(N)=O)n1)C(=O)NN	395624093	ZKARZHFHIILWMR-UHFFFAOYSA-N	239.279	-0.612	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1N=C=S	606276865	JCBWVHUISASKLQ-PHDIDXHHSA-N	207.276	-0.099	50	10	BBGE	
C[C@H]1CCCN(CC(=O)NN)[C@@H]1CO	688740748	WWFJJIRNVHDCQM-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](CO)CC[C@@H]1C	688756688	VDEVRZPYKSWORT-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
COC(=O)[C@H]1CN[C@H](CBr)CN1	689687907	KWEAYVZECPUQHL-PHDIDXHHSA-N	237.097	-0.516	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1	690075741	NGRGLLIIYAXXMU-MNOVXSKESA-N	249.075	-0.983	50	10	BBGE	
CCn1cc(Cn2nc(C)c(B(O)O)c2C)cn1	694272716	WLCJLPWHQBNECY-UHFFFAOYSA-N	248.095	-0.556	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]2C[C@H]21)C(=O)C(=O)NN	694428489	ACNHTHNFZUEVQP-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
COCCN(CCF)CC(C)(C)C(=O)NN	697054490	HHEYZAOWUWPXCD-UHFFFAOYSA-N	235.303	-0.080	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cccnn1	700700050	IQTSGYUDBCQACF-VIFPVBQESA-N	223.280	-0.323	50	10	BBGE	
O=C(NCB(O)O)c1ccc2nc[nH]c2c1	702021854	DGRLQAFJESFAHI-UHFFFAOYSA-N	219.009	-0.695	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)C[C@H]1CO	705326534	YUOYWTBOXLTLKA-XHNCKOQMSA-N	223.700	-0.881	50	10	BBGE	
CN(CCOCCCl)[C@@H]1COC[C@H]1O	709228312	ZBYXMHIIWIIAKN-RKDXNWHRSA-N	223.700	-0.067	50	10	BBGE	
CC(=O)CCCC(=O)NNC(=O)c1cnn[nH]1	772861012	XICUZBJRVMEFGV-UHFFFAOYSA-N	239.235	-0.675	50	10	BBGE	
CN(NC(=O)[C@@]12C[C@H]1COC2(C)C)C(N)=O	831519865	RWQKBOXOBYEERE-QUBYGPBYSA-N	227.264	-0.157	50	10	BBGE	
CCO[C@H](C(=O)NNC(=O)CN(C)C)C(C)C	863865701	XVRCSRCXSPMSMT-JTQLQIEISA-N	245.323	-0.244	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(CC)CCO	911444867	VXGAGNJUIAQQMG-UHFFFAOYSA-N	229.324	-0.160	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)NCCCC	1136411477	OEDZHLDIOGXRDW-UHFFFAOYSA-N	215.253	-0.335	50	10	BBGE	
NC(=O)CCC(=O)NNc1ncccn1	1290675418	SLBCZUUGFYVWHZ-UHFFFAOYSA-N	209.209	-0.815	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C23CC(C2)C3)nn1	1331662274	FNFDIBHUXFUUCX-UHFFFAOYSA-N	235.247	-0.624	50	10	BBGE	
CC(=O)NNC(=O)c1ccoc1CC(N)=O	1440710986	AIEZMHAYLJHNMZ-UHFFFAOYSA-N	225.204	-0.912	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1	1585745374	KZZSJPHNPZYJBC-MRVPVSSYSA-N	237.263	-0.735	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCC(=O)NC	1586363457	BLLCSIZOXQSPQV-BQYQJAHWSA-N	225.248	-0.317	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1	1587001132	IVQPSPYXFIKMER-BDAKNGLRSA-N	247.254	-0.431	50	10	BBGE	
CCn1cc(C(=O)C(=O)NNC(C)=O)cn1	1587581913	MQFWPNLCQHICOW-UHFFFAOYSA-N	224.220	-0.747	50	10	BBGE	
O=C(O)C(=O)NC[C@@H]1C[C@H]1Br	1877361691	NLYHPHZYKXONBW-IUYQGCFVSA-N	222.038	-0.029	50	10	BBGE	
O=C(NCC#CB(O)O)NCc1ccccc1	1880099985	HHKFFBMLORXVNL-UHFFFAOYSA-N	232.048	-0.499	50	10	BBGE	
CON(C(=O)[C@@H]1C[C@@H]1Cl)C1CNC1	1883645147	MCFUDECQLSYWHU-RQJHMYQMSA-N	204.657	-0.025	50	10	BBGE	
O=C1C[C@H](NC(=O)CCBr)C(=O)N1	1884196071	PUDRHKQTZVPERE-BYPYZUCNSA-N	249.064	-0.697	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H](C)CCl	1887694472	QGXOKASODLPSDP-SSDOTTSWSA-N	216.668	-0.273	50	10	BBGE	
O=C(COC1CNC1)NC[C@@H]1C[C@H]1Cl	1893097952	GDMBTQANWKDUIP-POYBYMJQSA-N	218.684	-0.282	50	10	BBGE	
O=C(NC[C@]1(O)CCOC1)[C@@H]1C[C@@H]1Cl	1893474002	CZTRTRKGWYIKGS-BKPPORCPSA-N	219.668	-0.119	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1nc(B(O)O)cs1	1896792700	WMDHCQMMPUKREM-BQBZGAKWSA-N	244.100	-0.135	50	10	BBGE	
O=C(NCCSCCO)C1CC(B(O)O)C1	1899598658	OVJZZWCZVAWGGQ-UHFFFAOYSA-N	247.125	-0.919	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@H]1CN	1901339067	HSJFYCZQLPUJOH-YUMQZZPRSA-N	249.336	-0.718	50	10	BBGE	
Cn1cnc(CN2CC[C@](C)(B(O)O)C2)c1	1902516847	VHQPFONSPUADCZ-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
N[C@@H]1COCC[C@]1(NC[C@@H]1C[C@H]1Cl)C(=O)O	1904222319	KWKDQIXMJOLXDY-OKJYPTKPSA-N	248.710	-0.226	50	10	BBGE	
CC1(C)[C@@H](N)CCN1C(=O)C1(B(O)O)CC1	1905013559	GEHKRMNZSPNDAD-ZETCQYMHSA-N	226.085	-0.668	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@@H]3C2)c(B(O)O)c1	1907080561	OJWYLTMHVIBUGA-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN=S2(=O)CCC2)O1	1913860823	FKBFOONFZPWJHN-YUMQZZPRSA-N	247.320	-0.604	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1nc(C(=O)NN)co1	1914257784	UKSUFONNLFJENC-XPUUQOCRSA-N	240.263	-0.767	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1CCCO1	1927917078	INVAPJOSYQZDKJ-DJLDLDEBSA-N	214.265	-0.192	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCCO1	1936087161	ANICNYJTMJHOBA-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CN(C)CC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092035	QHJHEUDZLYRYKV-VHSXEESVSA-N	226.324	-0.894	50	10	BBGE	
N#CC1(O)CCN(CC2[C@@H]3CNC[C@@H]23)CC1	1937398953	MXNPDWJGJXRVMW-NXEZZACHSA-N	221.304	-0.198	50	10	BBGE	
NNC(=O)COCCN1CCOC[C@@H]1C1CC1	1941779791	HXCYEOBECXPFRW-SNVBAGLBSA-N	243.307	-0.896	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H](CO)CCCO	1942750400	IYDCLBMLZKVMPK-IWSPIJDZSA-N	243.259	-0.964	50	10	BBGE	
COc1ccc(=O)n(CC2(C(=O)NN)CC2)n1	1945884759	WGLJNFVFAZEJBG-UHFFFAOYSA-N	238.247	-0.978	50	10	BBGE	
CN1CC[C@@H]([C@@H]2CC(=O)OC2=O)CC1=O	1951739413	OZZATOBEZSKAKR-RQJHMYQMSA-N	211.217	-0.056	50	10	BBGE	
Cn1nc(C2CC(=O)OC(=O)C2)ccc1=O	1952451760	AIBRNDBIPMPHCT-UHFFFAOYSA-N	222.200	-0.273	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NNC(N)=O	1956197070	ADEJIGWDFYSZDK-IMJSIDKUSA-N	207.180	-0.023	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1CCCNC1=O	1956861792	KNZISCORYVGQIC-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
CON(C[C@H](C)C(=O)NN)[C@H]1CCOC1	1960127028	VRLNRAUNSALLHS-YUMQZZPRSA-N	217.269	-0.735	50	10	BBGE	
CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NN	1961311088	PTDRABIEQYTHSV-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1C(F)F	1974584636	YXECJIFLIQKZGT-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(C)(F)F)C(=O)C(=O)NN	1978614538	OYNOPWFIOGVEBN-WDSKDSINSA-N	235.234	-0.274	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1978832039	MJPUHADPPFOTPA-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	1980229627	URUQJJVDHBKVIR-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](CN1CC[S@@](=O)C(C)(C)C1)C(=O)NN	1980950294	RUZIXTUPODJAAP-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
O=C(CCl)NC(=O)N1[C@H]2CC[C@H]1C(=O)NC2	1981343253	IVULLJVWUIFZOJ-WDSKDSINSA-N	245.666	-0.576	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]1C(F)F	1981420266	IORWUPDBDFGHOZ-ZETCQYMHSA-N	228.007	-0.395	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@H]2C1	1981423280	BLPQMGSSGAOPKN-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
CCC(CC)COc1ncc(B(O)O)cn1	1981430991	URACAKPCIOXLCC-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
NC(=O)N1CC(CNC(=O)NC(=O)CCl)C1	1985220949	MXMXRTSAZLGBMR-UHFFFAOYSA-N	248.670	-0.939	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCNC2=O)C1	1985357159	MLQMTZRQQMPFCT-YUMQZZPRSA-N	226.280	-0.582	50	10	BBGE	
CC[C@H](OCCn1ccnc1C)C(=O)NN	1986444994	IYDDEOXBZWOEIK-VIFPVBQESA-N	226.280	-0.023	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@H]2COC[C@@H]21	1991650614	OBSRUQFWYFNZIN-YUMQZZPRSA-N	245.662	-0.066	50	10	BBGE	
O=C(NC1(C(=O)O)CC(CO)C1)[C@H]1C[C@H]1Cl	1991674642	GKOILYBSHOLCQW-IUBIVETDSA-N	247.678	-0.044	50	10	BBGE	
C=C(CN(C)[C@@H]1CN(C)C(C)(C)C1)B(O)O	1992144613	CHCUSFOVDZEINV-JTQLQIEISA-N	226.129	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1997189058	QMXGKPMWKHUEGR-JWXFUTCRSA-N	245.229	-0.522	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2001040247	OMSGHVZJFJZMGQ-SKDRFNHKSA-N	239.319	-0.275	50	10	BBGE	
CC1(C)CN(c2ncc(B(O)O)cn2)C1(C)C	2004917635	DNUPOHHZKCMZIC-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)[C@H](C)C1	2004921417	VVMZRNZQIXBHAA-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ncccc2=O)C1	2010833517	SJGXXRUKMGJRRE-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
C[C@H](CN1CCC[C@]2(CC[C@H]2O)C1)C(=O)NN	2013329969	RGBTYCSSZWKMFQ-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCCC2=O)O1	2018242273	FQQHHMXKOVANNH-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
COC[C@]12C[C@](CN(C)CC(=O)NN)(CO1)C2	2025538540	HMNCCDSOUDPRME-PHIMTYICSA-N	243.307	-0.896	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cocn1	2031814823	JCEOZONHMCJJNN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1nc(N2C[C@H]3CCC[C@H]3C2)ncc1B(O)O	2052556321	LUAKIKARHFZWGS-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
CCOc1ccc(C)c(B(O)O)c1[N+](=O)[O-]	2060024268	ACJGZYDMAQKEQC-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1ccc(OC)c(F)c1B(O)O	2060121587	UWAFGLFJRUMMRU-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCOc1cc(F)c([N+](=O)[O-])cc1B(O)O	2060125851	QPJGJFJRYXRCCJ-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2071017343	CRPOCQKZAKWVNF-PUMMZQCMSA-N	246.075	-0.563	50	10	BBGE	
C=CC(C)(C)CNc1ncc(B(O)O)cn1	2212602580	GQZSRVMIAIKARW-UHFFFAOYSA-N	221.069	-0.220	50	10	BBGE	
CC(C)CN(C)c1nccc(B(O)O)c1F	2212605531	GNMNENGIOOTKOO-UHFFFAOYSA-N	226.060	-0.007	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1ccnc(B(O)O)c1	2214995129	SKLHEISVYCBOJP-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2215002231	XWXOFBIVHKTHDF-HTRCEHHLSA-N	235.052	-0.859	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1C[C@H]2CC[C@H]1O2	2215198726	JHIGTCRTBSDGJH-XFWSIPNHSA-N	243.307	-0.757	50	10	BBGE	
COC1CC(COc2ccc(B(O)O)cn2)C1	2216470757	NNAQZYCGJMPKPG-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2C[C@@]2(F)C1	2216611797	FYVSRFSUXRBPSE-GMSGAONNSA-N	237.043	-0.905	50	10	BBGE	
COC1CC(CN=c2ccc(B(O)O)c[nH]2)C1	2217176195	SOZZJWATDJSYJV-UHFFFAOYSA-N	236.080	-0.980	50	10	BBGE	
CC1(C)CNC[C@@H]1Nc1cc(B(O)O)ccn1	2217176723	ZQLHULYYITZCGS-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
N[C@H]1CCC[C@H]1CNc1cc(B(O)O)ccn1	2217177095	FIZCLVKUWCUNPF-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
C=C1COC[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217180642	VLIRPMOMZVGLNN-JTQLQIEISA-N	234.064	-0.563	50	10	BBGE	
NC[C@H]1CCC[C@H]1Oc1cc(B(O)O)ccn1	2217190859	AHMLOZQKDCQTKA-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
O=c1ncc(B(O)O)cn1C1CC(C2CC2)C1	2217409445	SDIHMJWCHDBYMY-UHFFFAOYSA-N	234.064	-0.716	50	10	BBGE	
N[C@@H]1CCCCN(Cc2cccc(B(O)O)c2)C1	2220053263	CMIUPCAKSOTQTD-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]1CN(c1ncc(B(O)O)cn1)C2	2221721666	FQMMCYFQHLAONK-DTORHVGOSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O	2223637815	HIXBVLMBSVZZGG-SCVMZPAESA-N	248.091	-0.667	50	10	BBGE	
Cc1c[nH]c(=NCCc2ccon2)cc1B(O)O	2223647292	VUYLXBJAVUCCFG-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
Cn1ccc(CCNc2ncccc2B(O)O)n1	2223649373	XRCWWHCLKLFTSL-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
Cn1nncc1/C=N/NC(=O)C(F)(F)F	2241879736	XCIMLAPNPMGGGK-WTDSWWLTSA-N	221.142	-0.173	50	10	BBGE	
CCN(C(=O)c1nscc1B(O)O)C1CC1	2243348114	UAMDOLHPCMGVMA-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1ccc(B(O)O)o1	2243349539	MZPIYMVKDKZMKQ-ZCFIWIBFSA-N	241.077	-0.805	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ncsc1B(O)O	2243359435	SVTUQPORXUKPSN-NTSWFWBYSA-N	240.093	-0.649	50	10	BBGE	
O=C(N1CCC12COC2)C1(B(O)O)CCC1	2243364062	QHLNHLLBQLPHFT-UHFFFAOYSA-N	225.053	-0.615	50	10	BBGE	
C#CCNC(=O)c1ccc(B(O)O)c(Cl)c1	2243367554	VAQIDMMPJFQCBH-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NC[C@H](C)F	2243373598	SHXBAVOHCVSXKJ-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243382290	MZCKOLONBXUNMN-XKSSXDPKSA-N	227.069	-0.777	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243390809	BMZBOZFYLPOAKE-JGVFFNPUSA-N	228.101	-0.694	50	10	BBGE	
C[C@H](CO)CN(C)C(=O)C1CC(B(O)O)C1	2243392138	RMNDAQUHPYFBRH-UEJVZZJDSA-N	229.085	-0.674	50	10	BBGE	
CC(C)(CCO)NC(=O)C1CC(B(O)O)C1	2243397167	WVTVLSMKEXZZJW-UHFFFAOYSA-N	229.085	-0.483	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)sn2)CC1	2243398955	VUGOTCBRPXUQII-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccsc1B(O)O	2243408684	RXIWNOZVOQIHOU-SSDOTTSWSA-N	239.105	-0.044	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1nncs1	2243409720	NMMBGRWSCCFCFB-RXMQYKEDSA-N	241.081	-0.278	50	10	BBGE	
C=C1CCN(C(=O)c2cscc2B(O)O)C1	2243409727	NOKNROWPSIEYSQ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CCC[C@@H](N)CNC(=O)C1(B(O)O)CCC1	2243411071	NGWLNONPYLKYPE-MRVPVSSYSA-N	228.101	-0.373	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@H](F)C1	2243411663	YAWWHTWUCFWYHX-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C=C(CS(=O)(=O)N(CCC)C1CC1)B(O)O	2243411899	CFHSNUMTVRPTQT-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CC(F)(F)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243427060	POMOIMQHZDILJT-NKWVEPMBSA-N	233.023	-0.037	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]2[C@@]1(C)COC)B(O)O	2243810293	JTQAVHCJWWLDEN-HBNTYKKESA-N	225.097	-0.089	50	10	BBGE	
C=CC[C@@]1(CO)CCCN(CC(=O)NN)C1	2244830185	UCXSZHLDHLNDQA-LLVKDONJSA-N	227.308	-0.373	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	2245148185	RERXJFGWSSSBMF-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cc(NN2CCCC2)ncc1Cl	2245913308	PHHSWUXZVWEMCD-UHFFFAOYSA-N	241.487	-0.163	50	10	BBGE	
C[C@]1(C2CC2)CN(C(=O)C#CB(O)O)CCO1	2247738647	TYZLYFOVMKCRAJ-LLVKDONJSA-N	237.064	-0.971	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1ccoc1B(O)O	2247740891	RCHQWTGGMUZMED-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
CCC(C)(C)N(CCC#N)C(=O)C#CB(O)O	2247743783	JDQVLBIODGVYDN-UHFFFAOYSA-N	236.080	-0.067	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1F	2247752308	MTTINDSEJJTZNP-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
CN1CC[C@@](C)(CNC(=O)C2(B(O)O)CC2)C1	2247756254	SBTHIAPCUXCASG-JTQLQIEISA-N	240.112	-0.549	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247799497	DRIDIZKOIHUZRG-WOOKNIGNSA-N	241.096	-0.267	50	10	BBGE	
CN(Cc1ccncc1)C(=O)[C@H]1C[C@H]1B(O)O	2247807375	QWENECOQUIHTFH-VHSXEESVSA-N	234.064	-0.097	50	10	BBGE	
CC1(C)CNCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247807450	REPJUNRVPCZBFC-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
NC[C@H]1C[C@@](F)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247807980	SLZWLXQYQPOBPT-FDDDBJFASA-N	244.075	-0.958	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247809571	ZROOWVQVZHRSJB-KYXWUPHJSA-N	243.112	-0.239	50	10	BBGE	
CC1(C)[C@H]2CC[C@H](NC(=O)C#CB(O)O)[C@H]1C2	2247846989	PSEBWUGRHGEXAZ-AEJSXWLSSA-N	235.092	-0.057	50	10	BBGE	
CCN(C)C1CN(C(=O)C2(B(O)O)CCC2)C1	2247874875	QNHZDXVOJUBXHX-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1[C@H]2CNC[C@H]12	2247877472	HJYBARGTEFZADW-YUMQZZPRSA-N	238.096	-0.940	50	10	BBGE	
CO[C@@H]1C=C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247880386	ZXCRKUYGEPUUGG-RKDXNWHRSA-N	239.080	-0.157	50	10	BBGE	
NCC1CC2(CCN2C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887026	JJEPJUYNIMZKCB-GWMJWBFUSA-N	238.096	-0.811	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247897978	ZBEVXGLLOXCRQY-XKNYDFJKSA-N	238.096	-0.846	50	10	BBGE	
O=C(N[C@]12CO[C@](CF)(C1)C2)[C@@H]1C[C@@H]1B(O)O	2247898180	AZMYPUCIXMCERM-BKFJMODKSA-N	243.043	-0.763	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247898301	CCDDGWJVWDDZER-MQIGXGKASA-N	241.096	-0.079	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248584951	DKOCOHXJLNJBHY-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
CN(CCC(F)F)C(=O)c1cc(B(O)O)co1	2249416825	XRWXQNZKRRPFPZ-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
COc1nc(O[C@@H](C)C(F)F)ncc1B(O)O	2249472993	FNLXIJXSBCLOMB-BYPYZUCNSA-N	247.994	-0.803	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2255450629	YNRQGZBWZGMHMY-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
O=C(C#CB(O)O)Nc1nccc2ccncc12	2255464625	YVVKTVLIQGOBJA-UHFFFAOYSA-N	241.015	-0.416	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1ccc(B(O)O)o1	2255465007	DROQCPAZKMULLG-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
O=C(c1occc1B(O)O)N1C(=O)[C@@H]2CCC[C@H]21	2255490943	PKGTYGYRJWFJCD-HTRCEHHLSA-N	249.031	-0.890	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC23CC3)ccc1B(O)O	2255511886	QOTMTYGYIYLYBM-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
O=C(Nc1cnc2nccn2c1)[C@H]1C[C@@H]1B(O)O	2255562857	AFYSNKAMDGPJLK-YUMQZZPRSA-N	246.035	-0.469	50	10	BBGE	
O=C(N[C@@H](CO)c1ccccc1)[C@H]1C[C@@H]1B(O)O	2255569701	YLAMOEUECHILBR-DCAQKATOSA-N	249.075	-0.301	50	10	BBGE	
CCN(C[C@@H](C)C#N)C(=O)c1cc(B(O)O)c[nH]1	2255671939	YRCMNDPDRAIWNP-QMMMGPOBSA-N	249.079	-0.684	50	10	BBGE	
C=C1CCN(C(=O)c2cc(F)ccc2B(O)O)C1	2255693274	ZJGQUPNRABQNLQ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ncccc1B(O)O	2255721782	FNVRPLSFBASMES-BRPSZJMVSA-N	246.075	-0.853	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cocc1B(O)O	2258138644	MOEDSASEZXCHBP-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2258958769	XPGWWBAJOSWJNY-NAKRPEOUSA-N	247.103	-0.200	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCOC1	2298369370	RVQXOVYWVVEHFI-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC([N+](=O)[O-])C1	2300400391	RVKMDCUXSDOPQT-IONNQARKSA-N	242.279	-0.647	50	10	BBGE	
O=Cc1ccc(NC/C=C/CO)cc1B(O)O	2301421289	RXMQPZQFUGRHKA-OWOJBTEDSA-N	235.048	-0.861	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	2302018056	LZMXHAXLPOHHCP-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(N2CCC2)C1	2302053838	XTNQZQHFYXJTMO-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
OB(O)[C@H]1CCN(CCN2CCC(F)(F)C2)C1	2303102470	WKJVKNLRHYBWMJ-VIFPVBQESA-N	248.082	-0.124	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1	2303105704	QKBPGRMIDQKSBD-BYULHYEWSA-N	241.052	-0.828	50	10	BBGE	
N[C@@H](CNc1cc(B(O)O)c(F)cn1)C1CC1	2303834982	OVWOGFODOYQPBL-VIFPVBQESA-N	239.059	-0.950	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@H]1O	2317151481	RFJMRGPJFMEMHX-VXGBXAGGSA-N	246.075	-0.437	50	10	BBGE	
CN[C@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317152542	CRXMCNJGDBNMLE-NSHDSACASA-N	245.091	-0.964	50	10	BBGE	
CNC(=O)NNC(=O)c1cnns1	48950775	TVFQVSPROVZLDP-UHFFFAOYSA-N	201.211	-0.888	50	10	BBGE	
CC[C@@H]1COCCN1[C@@H](C)CC(=O)NN	82468027	QWXQHZPTHDYPFR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)[C@H](C)C1	82485317	NCULLKQDNNDMHM-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CNC(=O)CN(C)C(=O)CBr	82506349	WHOPYSGNNAZGDC-UHFFFAOYSA-N	223.070	-0.414	50	10	BBGE	
COC[C@H](C)N(C)[C@@H](C)[C@@H](C)C(=O)NN	86313546	WFKMVBVTUPQZLZ-YIZRAAEISA-N	217.313	-0.032	50	10	BBGE	
CN1CCN(CCCC(=O)NN)C(C)(C)C1=O	94867037	XMUHRKHCJJNQMO-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
CC(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NN	96539549	OFGBDGOCYDQNJA-UHFFFAOYSA-N	249.226	-0.213	50	10	BBGE	
NC(=O)N/N=C/C(=O)/C=C/N1CCOCC1	101022138	UEUYLRMJDKSVSD-IOHLXRPMSA-N	226.236	-0.945	50	10	BBGE	
C[C@@H](NS(=O)(=O)CBr)C(N)=O	127103473	GWCIYGRXULNEKH-GSVOUGTGSA-N	245.098	-0.868	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COC[C@@]1(C)C(=O)O	149056077	DEXVYOXFMYHSLT-HZGVNTEJSA-N	231.252	-0.748	50	10	BBGE	
CCOCCCNC(=O)C(=O)NCCCl	170335525	NQSXBGXQNARIBW-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
COCC[C@](N)(CCCCB(O)O)C(=O)O	198061211	LNFCAHJJYMMYSQ-SECBINFHSA-N	233.073	-0.552	50	10	BBGE	
Cc1cc(COc2cncc(B(O)O)c2)n(C)n1	203647338	QLFRROXUBWGRSX-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](CCC)C(=O)NN	212113968	YOYZSNFKEDWVPK-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
O=C1NC(=O)N2NC[C@@H](Br)[C@H]2N1	215247747	POLZQRMBLYNOFA-GBXIJSLDSA-N	235.041	-0.671	50	10	BBGE	
OB(O)c1ccc(OCCOC2COC2)cc1	218892550	CVNJUNCLYGNRFX-UHFFFAOYSA-N	238.048	-0.839	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)ccc1F	229336115	VLTQIRYGQSJTNS-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
O=S(=O)(CCl)NCc1ncon1	231843234	CGDWKEVCRUWMJJ-UHFFFAOYSA-N	211.630	-0.315	50	10	BBGE	
CN(C)C(=O)CNS(=O)(=O)CCCl	232295041	SGBMKOIKDAIMNW-UHFFFAOYSA-N	228.701	-0.767	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@](C)(C(N)=O)C1	232744885	UGSMMJZQVUMJLD-GZMMTYOYSA-N	242.323	-0.802	50	10	BBGE	
CO[C@@H]1CN(S(=O)(=O)CCl)C[C@H]1OC	234812828	NYSJUMJIOVXNFU-RNFRBKRXSA-N	243.712	-0.142	50	10	BBGE	
C[C@H]1O[C@@H](CN(C)C)C/C1=N\NC(N)=O	238501967	JTMUOEXHTKFACI-CSNSAUQASA-N	214.269	-0.250	50	10	BBGE	
N#C/C(C(=O)Oc1ccccc1)=C(\N)NN	238571258	LMMPIWYRGISMAX-HJWRWDBZSA-N	218.216	-0.251	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@@H]1C	299993183	BDIROYYVDWNSSV-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)C(F)(F)F	306712651	OVPMEGPAOFJDMQ-SCSAIBSYSA-N	227.186	-0.321	50	10	BBGE	
CO[C@H](C)[C@@](C)(O)C(C)=NNC(N)=O	308336946	QTOMDNBWUJLWKQ-SVRRBLITSA-N	203.242	-0.184	50	10	BBGE	
COCCS(=O)(=O)N[C@H]1COC[C@H]1Cl	323486960	BAZCCBKRYJAMAD-RQJHMYQMSA-N	243.712	-0.442	50	10	BBGE	
N[C@@]1(C(=O)O)CC[C@H](CCB(O)O)C1	379511786	SMLPIZSADMHXPG-SVRRBLITSA-N	201.031	-0.569	50	10	BBGE	
C[C@H](CC(C)(C)C)NC(=O)C(=O)NN	384690663	WVUKJDOEBHTNKC-ZCFIWIBFSA-N	201.270	-0.083	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384747503	MGOCTVYPRMMAGD-WYOJIJJFSA-N	226.324	-0.753	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1nc(C(=O)NN)co1	384777103	HHORNXXWNQLFER-BQBZGAKWSA-N	240.263	-0.767	50	10	BBGE	
Cn1cc(CNS(=O)(=O)CCCl)nn1	389820915	JNCZZGYHTISHKZ-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
CCc1cc(=O)n(CCCC(=O)NN)cn1	395621760	NLWITITYPJKBNU-UHFFFAOYSA-N	224.264	-0.424	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@H](O)C1	395820835	RRZMNWJOUSNIAY-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CCOc1cc(B(O)O)ccc1CCC(=O)O	396116151	XJAZVDFEGWAEQD-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CC(C)(C)C(=O)NN	399428732	QIPQFYHSOXQECI-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCOC1(C)CN(CCCC(=O)NN)C1	399891482	BCWPBNJPBJBAMY-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
N#Cc1ccc(C[S@@](=O)CC(=O)NN)cc1	526889901	SOQHFSDCTNBCFZ-MRXNPFEDSA-N	237.284	-0.203	50	10	BBGE	
Cc1nn(Cc2occc2C(=O)NN)c(=O)o1	694816414	OYYNDDNLZOGHJK-UHFFFAOYSA-N	238.203	-0.610	50	10	BBGE	
OB(O)c1cnn(CCCN2CCCCC2)c1	695812145	UIYKWGHZEMVHNC-UHFFFAOYSA-N	237.112	-0.561	50	10	BBGE	
NNC(=O)C(=O)NC1CCC2(CC1)CC2	696231101	YSIBTYOXQFZLMW-UHFFFAOYSA-N	211.265	-0.185	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCF)CCOC	697054921	KISXHHLKSHXMHX-QMMMGPOBSA-N	221.276	-0.327	50	10	BBGE	
CN(C)CC[C@H]1CCCN(CC(=O)NN)C1	701462786	RPSRJJLRXRHTPG-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
COCCOc1c(F)cccc1B(O)O	707076010	YYOROOMTKMKXQE-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCn2ccnn2)CC1	709308843	HDRKVTKLSIOVNH-UHFFFAOYSA-N	249.274	-0.455	50	10	BBGE	
COCCS(=O)(=O)N1CCC(O)(C#N)CC1	709372441	CDCUFHJTNKDBSC-UHFFFAOYSA-N	248.304	-0.687	50	10	BBGE	
N#CCc1ccc(NC(=O)NCB(O)O)cc1	711263933	DDXVYXKOMBIIIQ-UHFFFAOYSA-N	233.036	-0.114	50	10	BBGE	
COC[C@H](Sc1ccc(C)nn1)C(=O)NN	712408298	ILDHRDGQVDFZGY-ZETCQYMHSA-N	242.304	-0.118	50	10	BBGE	
COCCN(C1CCOCC1)[C@H](C)C(=O)NN	716493341	WEUWGPKMLIKOAM-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C#C[C@@H](CO)Nc1nc(N)nc(CCl)n1	718216674	FBECQQZHOYPUCY-YFKPBYRVSA-N	227.655	-0.401	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@](C)(CO)COC	768456643	QZMONCHZNZNSPJ-LAHYYIKRSA-N	242.275	-0.056	50	10	BBGE	
CCOC(CC(=O)NN(C)C(N)=O)OCC	786502871	DLPDZTIIQOTAOK-UHFFFAOYSA-N	233.268	-0.183	50	10	BBGE	
CC[C@@H](C(=O)NNc1nnc(C)n1C)[C@@H](C)O	857330467	JRNYWRSUPNIJDE-HTRCEHHLSA-N	241.295	-0.026	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)[C@H]1CCC(=O)O1	865016140	XJYLBHXJIUHXMY-SSDOTTSWSA-N	241.247	-0.568	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@H](O)C1	1253560362	QTEMFUILGUHJKH-IZLXSQMJSA-N	213.686	-0.332	50	10	BBGE	
O=S(=O)(CCl)N1CCC12COC2	1260931654	PGJKSLLWVFIGNT-UHFFFAOYSA-N	211.670	-0.013	50	10	BBGE	
CONC(=O)NNC(=O)Cc1ccccn1	1318280466	JDOGIUOOSODNDM-UHFFFAOYSA-N	224.220	-0.484	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2nc3ccccc3[nH]2)N1	1454632426	LZALSPOXVGQUQX-MRVPVSSYSA-N	245.242	-0.106	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccncn1	1468216261	APXPKPUEOUFMCP-RITPCOANSA-N	221.220	-0.959	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@H]1CC(=O)OC1=O	1535679672	PBMJDAVGGDTNRJ-RXMQYKEDSA-N	238.199	-0.236	50	10	BBGE	
Cn1cc[nH]c(=NOCCCl)c1=O	1883027633	ZISWDCZBWWTKST-UHFFFAOYSA-N	203.629	-0.216	50	10	BBGE	
C[C@@H](CN(C)[C@H]1C[C@H](O)C1)C(=O)NN	1885274714	NZSCFLIOKAGJML-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
O=S(=O)(CC1CNC1)NC[C@H]1C[C@@H]1Cl	1893127736	JWVGNFFQPWZRHE-SFYZADRCSA-N	238.740	-0.248	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)C=CC(=O)Cl	1893411433	XGBAAXVRIUWFIF-WDSKDSINSA-N	221.640	-0.834	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1897041280	JLEIRXWWHPRMID-KYXWUPHJSA-N	223.276	-0.506	50	10	BBGE	
O=C(CCOC1CC1)N1CC[C@H](B(O)O)C1	1902513138	QEQLEOVLEYWREX-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CCO1	1905585123	ZHIDZLQODMLPHQ-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cccnc1	1913621828	VEOPZCQLTLBZTH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C1(C)C	1914330437	KPWKWPACAGSAPP-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C1(C)C	1914330438	KPWKWPACAGSAPP-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CN(C)C[C@@H](CCl)N=c1nc[nH]n1C	1930290525	ZGLJQPOSBXPAHI-SSDOTTSWSA-N	217.704	-0.182	50	10	BBGE	
C[C@@H](CCl)C(=O)N(C)CC(CO)CO	1930665707	RVQRHYVLTJHDMJ-ZETCQYMHSA-N	223.700	-0.080	50	10	BBGE	
O=C(NC[C@H](Cl)CF)[C@H]1CCS1(=O)=O	1930860859	DGGAOJAWXWVLNS-PHDIDXHHSA-N	243.687	-0.133	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)C(=O)NN)S1	1931563413	DPTOFCRBNBBBRY-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
CN1C[C@H](N2C[C@](C)(CCl)C2=O)C(=O)N1	1931733418	KIVVASRNSWNZSA-RCOVLWMOSA-N	231.683	-0.581	50	10	BBGE	
N#CC1(N=C=O)CC2(C1)CS(=O)(=O)C2	1931803705	HPQYINCDELTIIT-UHFFFAOYSA-N	212.230	-0.207	50	10	BBGE	
CC(C)[C@H]1CCC[C@@H]1NC(=O)C(=O)NN	1932512215	RKLQIIQETGQMSV-SFYZADRCSA-N	213.281	-0.083	50	10	BBGE	
C[C@@]1(O)CCCN(CC(F)(F)C(=O)NN)C1	1935943571	FKLNAPUEMLIWLU-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)N1C	1936094638	OUZALRCZFXRNOS-GJMOJQLCSA-N	226.280	-0.632	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1F	1937153037	IEHZSIFERFZBOV-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CC[C@@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1937984436	NNFOPJHMBDKUKO-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](CO)C2(CC2)C1	1940643497	JRBGHQMBSMMXRK-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCN(C)C1	1941086749	KFNKCIMPRUGFDK-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H]2CO)c1	1944080608	RCNULFUBWOEVQF-NSHDSACASA-N	235.287	-0.143	50	10	BBGE	
C=CCOCn1nc(CC)c(B(O)O)c1CC	1944697900	MPDSXFLIPFJZNU-UHFFFAOYSA-N	238.096	-0.152	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCOC2)C1	1947536161	LYWZIVKBVYKDBU-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCNC(N)=O	1953880484	FTHBJZZVEFFQQO-YFKPBYRVSA-N	207.661	-0.212	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1[C@H]2COC[C@H]21	1954213863	RJELTVBROFIVCY-KVSKUHBBSA-N	225.697	-0.211	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1954501917	FZJWZICLJRFXGM-HETMPLHPSA-N	205.641	-0.822	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@H](O)C1	1958249653	KRBAPEURQZZTAA-WCTZXXKLSA-N	211.217	-0.574	50	10	BBGE	
C[C@H]1CC[C@@H](CCN(C)CC(=O)NN)O1	1958880412	FPGOASPKYPGKGV-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1962484768	SCSJFOHGQAKDHM-VXNVDRBHSA-N	209.249	-0.623	50	10	BBGE	
CO[C@@H]1C=C[C@H](N2CC(=O)OC(=O)C2)C1	1974715694	ZSZQRLJOCYCMDQ-JGVFFNPUSA-N	211.217	-0.285	50	10	BBGE	
CC[C@H](COC)N(C)[C@H](COC)C(=O)NN	1979240529	DIESDROMSNVBRI-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CO[C@H](CCCl)CNC(=O)c1nnn(C)n1	1980257336	ZXOXRJKMDTVPHW-ZCFIWIBFSA-N	247.686	-0.416	50	10	BBGE	
NNC(=O)COCCn1cc(Cl)ccc1=O	1982140045	HSTMNFMLLOWSLM-UHFFFAOYSA-N	245.666	-0.492	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ccc(B(O)O)cn1	1984211719	LGGJOGBRMWQADP-LURJTMIESA-N	230.023	-0.149	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)c1nc[nH]n1	1984361998	NNSRVONLPJCIAZ-LURJTMIESA-N	243.248	-0.749	50	10	BBGE	
CC(=O)NNC(=O)CN(C)c1cnn(C)c1	1990773081	RBUYOGAWHNOTPB-UHFFFAOYSA-N	225.252	-0.976	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1C[C@H](CO)CO1	1991662274	JSCXQYYVOAAETM-HTQZYQBOSA-N	247.678	-0.178	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)[C@@H]1C[C@H]1Cl	1991688654	PZAJCPCOLBDBJU-PHDIDXHHSA-N	244.678	-0.123	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC2(C)C)n1	1993465183	VEFOHJSPIUAKRA-MRVPVSSYSA-N	222.053	-0.358	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@@]1(C)CC(=O)N1	1994950057	QSMOKQZYCVDORD-SSDLBLMSSA-N	247.682	-0.282	50	10	BBGE	
N#CC1(O)CCN(c2nnc(Cl)nn2)CC1	1995344546	JIGUCKMNXYEGCA-UHFFFAOYSA-N	240.654	-0.225	50	10	BBGE	
COCCN(C)Cc1c(C(=O)NN)cnn1C	2003510595	XUNXDSXWHJADRE-UHFFFAOYSA-N	241.295	-0.898	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CCCN2C1=O	2004268240	YZTJMZGACNHJHH-SSDOTTSWSA-N	240.263	-0.817	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCn1cccc1	2004427452	UNCZTDVRSGKSHW-JTQLQIEISA-N	240.307	-0.575	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](C2CC2)C1	2004940420	WXQOOGJEQCKZOQ-SNVBAGLBSA-N	232.092	-0.002	50	10	BBGE	
CN(CC(=O)NN)C1C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1	2006094330	MUFDZOVLWAZVOB-UKKRHICBSA-N	239.319	-0.136	50	10	BBGE	
CCN(CCO)Cc1ccc(C(=O)NN)nc1	2007741795	UUAVTAWZQGZWBB-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
CN(C)[C@H]1C[C@H](Oc2ccc(B(O)O)cn2)C1	2012099251	IFIUKZAWSCTRPM-MGCOHNPYSA-N	236.080	-0.767	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC2(CCCCC2)O1	2015541209	OANOSSHXBKCNPH-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
CCO[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	2019212677	LOZWGIPJJGJIGA-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cc1	2022196720	QIWZUQMPMUZWRP-NXEZZACHSA-N	231.060	-0.495	50	10	BBGE	
C#CCC1(C(=O)Nc2ncccc2B(O)O)CC1	2050265065	UAHYQINULMMGAW-UHFFFAOYSA-N	244.059	-0.497	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCCc1cccc(B(O)O)c1	2058070288	ZXKWGRXRBZIUSG-BXKDBHETSA-N	247.103	-0.319	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC[C@H]1C1CC1	2071769781	QGBNDGHKYSJPLP-ONGXEEELSA-N	247.107	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cc(O)ncn1	2076081794	MYMJOKXNQIJWCG-SSDOTTSWSA-N	249.035	-0.987	50	10	BBGE	
NCCC1CN(CC(=O)NNc2ccccn2)C1	2078780971	VXZKEXGMEYYBMR-UHFFFAOYSA-N	249.318	-0.195	50	10	BBGE	
C[C@H]1C[C@@H]2CC[C@H](C1)N2c1ncc(B(O)O)cn1	2084417726	LYVWBIPMENAGOL-UIKWRGBMSA-N	247.107	-0.076	50	10	BBGE	
CN1C[C@H](N=c2[nH]ncn2C)[C@H](Cl)C1	2209804523	FOLPDYTYCMKIRI-RQJHMYQMSA-N	215.688	-0.430	50	10	BBGE	
CO[C@H]1C[C@@H](COCCOCC(=O)NN)C1	2212234341	NEUHOOVSGIDUES-DTORHVGOSA-N	232.280	-0.566	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1cc(B(O)O)ccn1	2212603927	RYQRCMBKUGLBSX-SFYZADRCSA-N	224.069	-0.667	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CCC1	2216490343	CGBWRLMZAGINEG-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC3(CC3)C2)nc1	2217173540	SABMGXSSODCRRU-SECBINFHSA-N	233.080	-0.099	50	10	BBGE	
C=C[C@@H]1CN(c2ncccc2B(O)O)CCO1	2217185625	ZOANTCAKCAOHCI-SECBINFHSA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3C[C@]3(F)C2)c1	2217204432	JQOQWEPAQZFWOH-KCJUWKMLSA-N	236.055	-0.300	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ncccc1B(O)O	2223646050	FSEWSYXRBKUNFJ-SCVMZPAESA-N	248.091	-0.734	50	10	BBGE	
Cc1cnc(Nc2cnn(C)c2C)cc1B(O)O	2223651791	DYTROZCNNYSYIN-UHFFFAOYSA-N	246.079	-0.145	50	10	BBGE	
CC(C)C[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223669836	PBLGJHMRSKSMJW-VHSXEESVSA-N	249.123	-0.328	50	10	BBGE	
OB(O)c1ccc(NC2C[C@@H]3CNC[C@H]3C2)nc1	2223669879	PTAZPQFJLJMEJJ-RKDXNWHRSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2C[C@H]2CO1	2223671938	BZYFOVBRQNOIHN-UTLUCORTSA-N	248.091	-0.402	50	10	BBGE	
Cc1nscc1NC(=O)C#CB(O)O	2241468291	KWWBVWRODZMODO-UHFFFAOYSA-N	210.023	-0.595	50	10	BBGE	
C[C@]1(NC(=O)C#CB(O)O)CCCC1(F)F	2243362630	UJQXHPVWQXWAIE-QMMMGPOBSA-N	231.007	-0.304	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2243373881	ATAFXSQCMIWQQZ-SSDOTTSWSA-N	222.053	-0.710	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2243397269	YCEPEPDBWIXFOA-HXFLIBJXSA-N	227.069	-0.610	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CC(C)C2)s1	2243414511	CDYJXSXJMLOQLF-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
C=C(C)COCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243414753	HQNQEJMUNMZAFZ-IUCAKERBSA-N	227.069	-0.442	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243414773	HYULVNQWHZVDLN-LURQLKTLSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416704	MBEZODUWMOHUFK-LURQLKTLSA-N	227.069	-0.779	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2243767388	IJZNJAVHMYYONO-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
CCC1CC(C(=O)NCCC#CB(O)O)C1	2244548229	MIAFHVBBUZDVRV-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC1(C)CC[C@H]1Cn1cccc(B(O)O)c1=O	2247391416	OCSYGJDHUJYGAQ-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
CC(C)(O)C1CCN(C(=O)C#CB(O)O)CC1	2247740326	IZCJNBCOUNZZTK-UHFFFAOYSA-N	239.080	-0.989	50	10	BBGE	
CC1(C)CO[C@@H](CCNC(=O)C#CB(O)O)C1	2247744937	ZSHXPPYIVDEUGR-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
C[C@@H](CO)CC1CN(C(=O)C2(B(O)O)CC2)C1	2247749980	CHKRAUAIAAYGOH-MRVPVSSYSA-N	241.096	-0.530	50	10	BBGE	
Cc1ccc(C(=O)NCCC#N)cc1B(O)O	2247752520	QTQFMKOHLHFWGJ-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1occc1B(O)O	2247757613	QUYFOIRLDDVMEK-VXNVDRBHSA-N	237.064	-0.170	50	10	BBGE	
CC[C@@H](O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786744	GBKJOUJQQFJNCJ-KXUCPTDWSA-N	243.112	-0.093	50	10	BBGE	
Cc1ccnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247793441	XOWIDHXMGZPVBY-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
NC[C@H]1C[C@@H](F)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247793679	ZIXOHEILOQORNA-BZNPZCIMSA-N	244.075	-0.863	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCCOC1	2247797588	LCUOCBQUOGPTNY-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
CCO[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247805382	BODQQQKAQWYBMX-LPEHRKFASA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CC[C@H]2C1=O	2247806107	LZIILFPTCUURJP-DFAZKQQPSA-N	237.064	-0.366	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(C)(F)F)C(=O)C#CB(O)O	2247850048	JBMBPPBKYBWRAS-JGVFFNPUSA-N	245.034	-0.249	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cc(B(O)O)c[nH]1	2247850434	OJXLZFNRLBMANN-NSHDSACASA-N	234.064	-0.774	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247860112	SAGVUIQGXHPYLS-KYZUINATSA-N	243.112	-0.284	50	10	BBGE	
CCN(CC)CCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247860350	VSKTVRZRIGMBPR-UWVGGRQHSA-N	242.128	-0.351	50	10	BBGE	
O=C(NCC1[C@H]2COC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2247860412	WTPWSFXTMNAMRE-KHUVANEUSA-N	239.080	-0.752	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H](C)C1CC1	2247867196	ALUJCTLMJDGDKA-LURJTMIESA-N	237.064	-0.204	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1coc(B(O)O)c1	2247872659	WTPSXHHFRCBYHE-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1c(F)cccc1B(O)O	2247874151	JRZAUNDMXDZUJE-MUWHJKNJSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1C[C@H](C2CC2)[C@@H](O)C1)C1(B(O)O)CC1	2247878793	NIGWJNHZVMMDFY-BDAKNGLRSA-N	239.080	-0.777	50	10	BBGE	
O=C(NCC1CCCC1)c1n[nH]cc1B(O)O	2247885503	MQUUKZNFNNZWMO-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
COC[C@]1(C)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247900802	ZUPKMKPYTFFLND-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
N[C@]12CC[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2247904881	RGFBDRFWNLRXLD-IEZMZVKSSA-N	238.096	-0.811	50	10	BBGE	
N[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC12CC2	2247905746	VYOCABIJYWKDAL-YIZRAAEISA-N	238.096	-0.811	50	10	BBGE	
O=C(O)C1CC(NC(=O)C2(B(O)O)CCC2)C1	2248578725	VGOPQTNZJBSLFL-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@@H]2CN1C[C@H](C)C(=O)NN	2248683287	BZBJDGSIFFMXHW-BTQIBKBOSA-N	241.335	-0.031	50	10	BBGE	
Cc1nc(C(=O)N2CCC(B(O)O)CC2)no1	2249344685	BOFGCHWEXWAQEJ-UHFFFAOYSA-N	239.040	-0.543	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249347687	SWKBYWPPXVYIMY-SCZZXKLOSA-N	241.096	-0.266	50	10	BBGE	
CN1CCC[C@@H](N2CCC(B(O)O)CC2)C1=O	2249377316	DGUNBTNVVNLJFJ-SNVBAGLBSA-N	240.112	-0.454	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1cc(B(O)O)co1	2249428611	RHIUGIMCUSHPTH-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
CCn1cccc1C(=O)NCCC#CB(O)O	2249997921	BPWZURAUBMBWSQ-UHFFFAOYSA-N	234.064	-0.357	50	10	BBGE	
C[C@H](C(=O)NCCC#CB(O)O)[C@H]1CCCO1	2249999583	XGWIAIYFTFPYBN-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
O=C(NC12COCC(C1)C2)C1CC(B(O)O)C1	2250904513	YKQSJUXPPVBNHC-UHFFFAOYSA-N	239.080	-0.465	50	10	BBGE	
C#C[C@]12C[C@H](CCN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2251016400	YWGKKEPRKAUISD-SVDPJWKOSA-N	233.076	-0.136	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cccc(B(O)O)c1F	2255500711	MCWCZUYYUSDPRA-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccc(B(O)O)cn1	2255521701	ZJAFVJXDAQVAJG-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
C=CCCCCNC(=O)c1cncc(B(O)O)c1	2255524291	WGXNCKZICNZQJL-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1cc(B(O)O)c[nH]1	2255673018	NLWROMKWILAWJG-SZEHBUNVSA-N	248.091	-0.387	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1ccncc1B(O)O	2255692795	XAEPGIWRQIEZLY-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CC=CC[C@H]21	2258123126	LHPJIGWJWDNTHG-GZMMTYOYSA-N	247.059	-0.250	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368882	BABLEBQNRLGXAT-HLTSFMKQSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](CN)C1	2298376337	SKKBWXUBBXVLCT-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
CCC[C@H](C)NC(=O)c1c(B(O)O)ncn1C	2300228199	YDVWZXPJKLHOJF-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301492013	KQPAJQQGOQWJMN-UXCLJVHYSA-N	241.335	-0.154	50	10	BBGE	
CCn1c(C)nnc1CN1CC[C@@H](B(O)O)C1	2303104869	LEZJSZMZBYJFAI-SECBINFHSA-N	238.100	-0.345	50	10	BBGE	
CO[C@@H]1CNC[C@@H](N2CCC(O)(C#N)CC2)C1	2304097840	AGIVMZNMDVSBSG-QWRGUYRKSA-N	239.319	-0.286	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2313082579	QQKOZQKCMSXBMP-MRTMQBJTSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)cc1COC[C@H]1CCN1C	2313838863	VYJNXBNUUWKJSK-CYBMUJFWSA-N	249.119	-0.104	50	10	BBGE	
CC1(N)CC(Oc2ccc(B(O)O)cc2C#N)C1	2317212344	SZURXKCARMZJEE-UHFFFAOYSA-N	246.075	-0.503	50	10	BBGE	
C[C@H](CC(=O)NN)NCCN1CCCCC1	58841113	JTZXCIPVPFLNGA-SNVBAGLBSA-N	228.340	-0.170	50	10	BBGE	
COCCN(C1CC1)[C@@H](C)C(=O)NN	82470006	UUJWTGSSLWQDDR-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
C=CCOC[C@H]1CC[C@H](C(=O)NN)O1	84689154	XDEMIMGYXVQSLO-HTQZYQBOSA-N	200.238	-0.274	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCOCC1	86313524	OLOHPJUMLISUAD-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CN(CC(N)=O)Cc1ccccc1C(=O)NN	110574637	DVXUUQKOKCWUFM-UHFFFAOYSA-N	236.275	-0.793	50	10	BBGE	
COC[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1	117678499	MHRXHZQQGCVDAH-SSDOTTSWSA-N	240.263	-0.536	50	10	BBGE	
NNC(=O)CCn1ccc(=O)c([N+](=O)[O-])c1	133176762	CIZZMFVAUYDSRC-UHFFFAOYSA-N	226.192	-0.864	50	10	BBGE	
CCN1CC(=O)N(C[C@H](Cl)C#N)CC1=O	139599990	UNFONMBJGQYYIK-SSDOTTSWSA-N	229.667	-0.192	50	10	BBGE	
N[P@@](=O)(O)N(CCO)CCCl	196055766	PLCYIBXROXDQLR-UHFFFAOYSA-N	202.578	-0.421	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCNC	212015484	ATFWHSRUTKFKQM-QMMMGPOBSA-N	202.302	-0.704	50	10	BBGE	
CN1CCN(NC(=O)CBr)CC1	214604978	QOTFIKNBXIJLAN-UHFFFAOYSA-N	236.113	-0.340	50	10	BBGE	
O=C1NC(=O)N2NC[C@H](Br)[C@@H]2N1	215247612	POLZQRMBLYNOFA-STHAYSLISA-N	235.041	-0.671	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	216742826	CPYPCEZUDYQKQS-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@@H](O)C1)c1ccccc1	227000962	CRSHVVAFSQDCCX-VXGBXAGGSA-N	249.314	-0.173	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1ccc(=O)[nH]n1	228950327	GRXOSXCNLTUHAD-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
NC[C@H](O)[C@@H](CC(=O)NN)c1ccccc1	231495213	FYSGLODIWKGJFM-UWVGGRQHSA-N	223.276	-0.530	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CCC1	232419365	WHZVZTJNUGHTHP-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@](C)(O)CO	235436698	KWLDRKCSYOQPLB-FSPLSTOPSA-N	240.097	-0.371	50	10	BBGE	
NNC(=O)CCCCCSCC(N)=O	300832932	PAUPAZWQCRANPF-UHFFFAOYSA-N	219.310	-0.245	50	10	BBGE	
Cn1nnnc1N1CCOC[C@@H](Cl)C1	306967852	NPDCRMAPZBOPAS-LURJTMIESA-N	217.660	-0.346	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](N)C1	307198812	VQTQLJYWYWJVDX-XLPZGREQSA-N	200.286	-0.966	50	10	BBGE	
OB(O)c1cc(F)nc([C@@H]2CCCNC2)c1	309193559	QQVVJRBVTBQTSG-SSDOTTSWSA-N	224.044	-0.633	50	10	BBGE	
CC(=O)NC1CN(C(=O)NC(=O)[C@@H](C)Cl)C1	388937860	WVRRQIYJAQXLKS-RXMQYKEDSA-N	247.682	-0.330	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CCC[C@H]21	393469856	FNUBIIQLGMBEPZ-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
N#CCCc1cc(CO)ccc1B(O)O	396035835	AYNTYIGFZDMKNQ-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
COC(=O)CCc1ccc(CC#N)cc1B(O)O	396140636	WXLLIWOEKQWKLX-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
Cn1ncc(C(=O)N2CCOC[C@H](Cl)C2)n1	399935637	BQBVLCBJZHNBBF-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
C[C@@H](CN(C)Cc1cnns1)C(=O)NN	400009972	DGJRHYDFQQJVCD-LURJTMIESA-N	229.309	-0.404	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1cccc(B(O)O)n1	404958989	JHOLYFMKXIXLLY-MRVPVSSYSA-N	236.080	-0.008	50	10	BBGE	
Cc1oncc1C(=O)Nc1cc(B(O)O)ccn1	405020976	FFDKPDCHXXGDHH-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1[C@H]2CCC[C@H]12	405024508	ZEEPBFCGFKJUSI-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
CCOC[C@H](C)NCc1cccc(B(O)O)c1	585036980	PZEAUYHHJVZBHA-JTQLQIEISA-N	237.108	-0.119	50	10	BBGE	
O=S(=O)(CC1CC1)N1CC[C@@H](B(O)O)C1	585059038	XSIHJORMRZRIBC-MRVPVSSYSA-N	233.098	-0.725	50	10	BBGE	
CSCC(=O)Nc1cccc(B(O)O)c1F	690129658	VKYZIWFARUMWEQ-UHFFFAOYSA-N	243.068	-0.193	50	10	BBGE	
COc1cc(N2CCC(O)(C#N)CC2)nc(N)n1	692137960	ZHYODPKOHLZLEM-UHFFFAOYSA-N	249.274	-0.078	50	10	BBGE	
N#CC1(O)CCN(CC(=O)[C@H]2CCOC2)CC1	692174040	LSMXWGJIFBTTIS-JTQLQIEISA-N	238.287	-0.058	50	10	BBGE	
COCCNC(=O)CNC(=O)OCCl	692896224	OKZHWRLANFQDSF-UHFFFAOYSA-N	224.644	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@H]21	700617960	AMNYWEAJDGCTQS-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CN(Cc1cccnn1)CC(C)(C)C(=O)NN	700700549	ODGZCDXOSYVLMX-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
CN(CCn1cnnc1)C[C@@H](O)CCl	707680002	QBYGBWXSLMJJPN-QMMMGPOBSA-N	218.688	-0.190	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)[C@H]1C[C@@H]1C	712323645	YHFLTAZRXQVVMI-CBAPKCEASA-N	249.075	-0.031	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNC[C@H]1C(F)(F)F	720732944	NUYAPBVJQRAOOU-PHDIDXHHSA-N	225.214	-0.023	50	10	BBGE	
[N-]=[N+]=NC[C@@H]1[N]SC(C(=O)NN)=N1	725606412	OBJQJWBFYOVTLY-REOHCLBHSA-N	200.207	-0.723	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccc[nH]1	854278885	HLWZGRZZTLKTTN-QMSLJYSESA-N	235.243	-0.332	50	10	BBGE	
O=C(/C=C/C1CC1)NNC(=O)[C@@H]1CCC(=O)N1	862456712	RQAOGSCUFCAFTA-WGAJWPLOSA-N	237.259	-0.621	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=CC2(F)CC2)N1	863153710	ZJANUTAKQSXDTO-ZCFIWIBFSA-N	213.212	-0.131	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCNC1=O	1158784346	BRIWTJLEUGKLRE-FLOXNTQESA-N	237.259	-0.175	50	10	BBGE	
CONC(=O)CNC(=O)NNC(=O)C(C)(C)C	1313360824	GIETVPCDRMZWPF-UHFFFAOYSA-N	246.267	-0.960	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H](C)C1CC1	1343543618	KOHUDUXWPXTQPH-RXMQYKEDSA-N	229.236	-0.712	50	10	BBGE	
Cc1cc(COCC(=O)NN(C)C(N)=O)no1	1623320997	VHWBRIMUMHIOGQ-UHFFFAOYSA-N	242.235	-0.459	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C[C@H]1CCC(=O)NC1	1639064616	TXCAFEUJMNGHQS-DTWKUNHWSA-N	243.307	-0.754	50	10	BBGE	
N[C@@H](CO)C(=O)NCCCBr	1865952538	PSANSERBXQUVAT-YFKPBYRVSA-N	225.086	-0.793	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2COC[C@H]21	1882698042	NGANWPVEJNIVQE-NKWVEPMBSA-N	225.697	-0.114	50	10	BBGE	
NC[C@H](O)CNC(=O)C1CC(Cl)C1	1883634595	LTQATBRXDCSQAA-AHXFUIDQSA-N	206.673	-0.560	50	10	BBGE	
NS(=O)(=O)c1n[nH]c([C@H]2C[C@@H]2Cl)n1	1883635272	VAUQDZBGRAMPHE-HRFVKAFMSA-N	222.657	-0.453	50	10	BBGE	
CC(=O)N[C@H](C)c1cc(B(O)O)cs1	1884965657	GMNJBNZVBBWXMN-RXMQYKEDSA-N	213.067	-0.375	50	10	BBGE	
OCC(CO)(CO)CNC1CC(Cl)C1	1885378146	KOPNHMJPXZFCCI-UHFFFAOYSA-N	223.700	-0.691	50	10	BBGE	
CC[C@H](N)CSCCOCC(=O)NN	1885976771	QVGFNECARKUWEZ-ZETCQYMHSA-N	221.326	-0.537	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(CNC(N)=O)C1	1887054089	RXNRFMOIWYTTMS-RXMQYKEDSA-N	219.672	-0.260	50	10	BBGE	
O=C(CCCCl)N1CC([C@H](O)CO)C1	1887273648	NKVAFDOETCGAIT-MRVPVSSYSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H](CO[C@H]1CCCOC1)C(=O)NN	1888721651	QTQLVVARLGUEHF-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)cn2)CC=CCO1	1901360912	FGYBGVFFPNSGCC-SNVBAGLBSA-N	222.053	-0.702	50	10	BBGE	
CS(=O)(=O)C1(CN2CC[C@H](B(O)O)C2)CC1	1902518294	QUWQLZVKQRJUDG-QMMMGPOBSA-N	247.125	-0.888	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2COCCO2)C1	1902549651	DENGRTHTKOHVOZ-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
O=C(CCl)NC(=O)N1CC2(COC(=O)N2)C1	1904725479	SILLLHQASLRBAH-UHFFFAOYSA-N	247.638	-0.744	50	10	BBGE	
COC[C@]12C[C@H]1CN(CC(C)(C)C(=O)NN)C2	1906346079	LHLCMDVDTVSTIV-JOYOIKCWSA-N	241.335	-0.029	50	10	BBGE	
COC[C@]1(F)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1908086306	ZKQFEETWLHBVCJ-NGZCFLSTSA-N	245.298	-0.327	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CC[C@@H]2C1	1908992966	RDSUXVZAZXJNBT-DTWKUNHWSA-N	233.080	-0.607	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CO[C@@H]2CCOC2)O1	1909805478	OXJXXLDCVZEOHG-BBBLOLIVSA-N	244.291	-0.281	50	10	BBGE	
C[C@@H]1CCN(C[C@@H](C)C(=O)NN)C(=O)C1	1912224416	YTWHBGILLBFEJP-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
CC(C)[S@](C)(=O)=N[C@H](C)C(=O)NN	1913904851	ZXOLEXILZJQXMF-UANNBLPKSA-N	207.299	-0.129	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H](C)C(=O)NN)[C@@H]1C	1914334884	LPHLTUKHWRDDRL-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1cccc(CN2CC(F)(F)C2)c1	1917265979	CTZOBKJPBLSLEE-UHFFFAOYSA-N	227.019	-0.183	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2CC[C@H]2C1	1927914474	UZFIDIVEAZPQQV-RGOKHQFPSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2C[C@H]1CO2	1927916100	CDNLUZMDIJHIKK-MAUMQABQSA-N	211.265	-0.915	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H](F)[C@H](F)C1	1927918582	VCUIRXLJAOAMMY-DKXJUACHSA-N	219.235	-0.396	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](F)[C@@H](F)C1	1927918584	VCUIRXLJAOAMMY-NGJRWZKOSA-N	219.235	-0.396	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CSC2)C1	1928606632	TYFCSFFGOGTVEZ-JGVFFNPUSA-N	227.333	-0.339	50	10	BBGE	
NNC(=O)c1nc(CN2CCCO2)cs1	1928677294	XFLVTTAJVMOXKU-UHFFFAOYSA-N	228.277	-0.116	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H](Cl)C1CC1	1928696809	SIDWADNLHWUCJC-ZETCQYMHSA-N	229.671	-0.193	50	10	BBGE	
CN(CC(C)(C)O)CC1(C(=O)NN)CC1	1931264470	ABRZVZRCYUNLKM-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)[C@@H](C)CCl	1932514378	YCTNGUCNTOZSSA-WDSKDSINSA-N	242.728	-0.346	50	10	BBGE	
CN1C[C@@H](c2nnn(C)n2)[C@@H](Cl)C1	1935168802	DDPFLFQDRUNZAD-RITPCOANSA-N	201.661	-0.154	50	10	BBGE	
COCCOCCOCC(F)(F)C(=O)NN	1935926079	NMIKSDWLWZPDEX-UHFFFAOYSA-N	242.222	-0.709	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H]1CCO	1935944519	MKOHGGOGFMQGCQ-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090605	IRJHAEVDQRSMOC-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)CCO1	1936536854	RMSGSBWKEIICNO-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)CCOCC(=O)NN	1941772381	IMDVYMJHVHCPGA-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@H](C2=O)C3(F)F)CC1	1945890839	BKVXKZZDAXWPQG-PHDIDXHHSA-N	245.229	-0.520	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@]2(C)C1=O)C(=O)NN	1946988849	HQTVSKQMFLYGFT-KBUNVGBDSA-N	239.275	-0.603	50	10	BBGE	
Cc1nccc(CN2CC[C@H](B(O)O)C2)n1	1951320345	HGSAMMZPUVPQOJ-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
C[C@@]1(CS(C)(=O)=O)CC(=O)OC1=O	1953994875	KQQISHODGYBTBH-ZETCQYMHSA-N	206.219	-0.489	50	10	BBGE	
NNC(=O)CN1CCC[C@@]12CCSC2	1955254897	KQZKUNAGNRYJLG-VIFPVBQESA-N	215.322	-0.052	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NNC(N)=O	1956197072	ADEJIGWDFYSZDK-QWWZWVQMSA-N	207.180	-0.023	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncno1	1958694701	FQXPKQLGZPSJJP-LURJTMIESA-N	213.241	-0.730	50	10	BBGE	
NC(=S)NNC(=O)[C@]12COC[C@H]1C2(F)F	1959175461	ZDNKIVATJLEUOA-CVYQJGLWSA-N	237.231	-0.868	50	10	BBGE	
COC[C@H](C)Oc1ccc(B(O)O)cn1	1961713796	VFAMZFJWGLEMTF-ZETCQYMHSA-N	211.026	-0.825	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ccc(B(O)O)cn1	1961776082	AZMZQNAVIWKFTG-APPZFPTMSA-N	206.054	-0.394	50	10	BBGE	
C[C@]1(C(F)(F)F)CNC[C@H]1C(=O)NN	1968304106	ASUCDZSVBHSHEY-NJGYIYPDSA-N	211.187	-0.236	50	10	BBGE	
NNC(=O)C(=O)NCc1ncoc1C1CC1	1976732304	VNQOOSDQQWQILI-UHFFFAOYSA-N	224.220	-0.842	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1C(F)(F)F	1977342637	CDAHNRONXQTEAO-YFKPBYRVSA-N	239.197	-0.080	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@@H]1C[C@@H]1C(=O)NN	1977878855	QYHINDPPTJLZKN-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
O[C@H](CCl)CN1CCN([C@H]2CCOC2)CC1	1981053737	NCLQXULPWOGQCZ-WDEREUQCSA-N	248.754	-0.007	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CCO[C@H]3C2)CC1	1981242372	LYJCGUJOQUUXSK-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@H]2CCO[C@@H]12)C(=O)NN	1983238455	JQDDSYYEQRSUIN-ZYUZMQFOSA-N	227.308	-0.421	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NC[C@H]2CCO2)[nH]1	1988370009	JNEANQMHVOJEOT-ZCFIWIBFSA-N	243.698	-0.312	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@H]1CF	1989259838	FQSSYHAANBJBCU-DTWKUNHWSA-N	233.287	-0.470	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)[C@H](C)C(=O)NN	1990038464	GQRDQDNKWMRBEL-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
NC(=O)NC1CC(NC(=O)C=CC(=O)Cl)C1	1991649758	HGGUDDDMXZQMCW-UHFFFAOYSA-N	245.666	-0.377	50	10	BBGE	
C=C(CN(C)C[C@@H]1COCCCO1)B(O)O	1992145726	NXDCCPVDVSFABW-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1CC=CCC1	1998137575	MVIMZURKGPWLNR-YUMQZZPRSA-N	241.052	-0.615	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](OCCO)C1	2001030666	DSGGZUIDHZTXOZ-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H]3C[C@@H]32)n1	2003505838	JGGHDAQZBPDYKR-XVKPBYJWSA-N	235.291	-0.382	50	10	BBGE	
CCN(CC)CCN(C)[C@@H](COC)C(=O)NN	2003814076	SAQSSIULJDATAO-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cc(C)no1	2004004912	RGAIZWNLFYKWGR-SECBINFHSA-N	242.279	-0.580	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)c1ccc(B(O)O)cn1	2004917235	WACBCVBGDAILBO-ZJUUUORDSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccnc(O[C@@H]2CO[C@H](C)C2)c1B(O)O	2004929376	KJSMGXNQEMZANQ-BDAKNGLRSA-N	237.064	-0.374	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2CC[C@H]2C)c1B(O)O	2004974979	SBVZZIPHFIUKFV-APPZFPTMSA-N	235.096	-0.300	50	10	BBGE	
Cc1cc(N2CC3(F)CC2C3)ncc1B(O)O	2005013867	BWXFEZFXAKIUHE-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C2(O)CC2)C1	2013928619	LZYKWWAYNWZEFB-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@H](CC(=O)O)C1	2014432239	DJTKYWWNRDZXFK-SFYZADRCSA-N	245.279	-0.216	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCCCO2)O1	2018242607	LMWJANCDRSKLLO-VHSXEESVSA-N	243.307	-0.059	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(C1)CC2(F)F	2021157130	HORRJRTWPDXHAE-UHFFFAOYSA-N	243.018	-0.447	50	10	BBGE	
COCC(COC)COC[C@H]1C[C@@H]1C(=O)NN	2026063410	UDLGWOTUXPUKJG-ZJUUUORDSA-N	246.307	-0.462	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)Cc2cnco2)n1	2052627878	RSMXROOFFKKACR-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
O=Cc1cc(B(O)O)cc([N+](=O)[O-])c1Cl	2060132842	NQXYOMQJUOMUDM-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COC1CC(NC(=O)c2ccccc2B(O)O)C1	2079008904	CNSPAGAFUMYLNJ-UHFFFAOYSA-N	249.075	-0.726	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cc2)CC(O)C1	2079011065	YDLFUPIZVVNSLC-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@]1(O)CCNC1	2212239132	JYFWHAUKCKXHRB-YOLVWIGZSA-N	246.694	-0.461	50	10	BBGE	
CC(C)(O)CCNc1ncccc1B(O)O	2212600630	DSFZIEWWBCFXCN-UHFFFAOYSA-N	224.069	-0.666	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2212601700	RUNUXCOHKGXQJF-SFYZADRCSA-N	224.069	-0.403	50	10	BBGE	
OB(O)c1cccnc1N1CCC=C(F)C1	2212602896	AAIQKNAIKJZAAM-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
C[C@H]1[C@H](Nc2ncccc2B(O)O)C1(F)F	2212610313	GRUSVBZNOASLCG-FSPLSTOPSA-N	228.007	-0.173	50	10	BBGE	
O=C(NNCCO)[C@@H]1OCC[C@@H]1C(F)(F)F	2212643365	HUXPWUMREMGYGL-NTSWFWBYSA-N	242.197	-0.433	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCO[C@]2(C#N)C1	2216067467	FJBFGLLCPVGIFW-WCABBAIRSA-N	238.291	-0.631	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CCC2)CC1	2216528981	WVOYCHNNXDWHKL-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2CO)CCCCC1	2216882174	VOTHGXNDRZAQNK-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cnc(NC2C[C@@H]3CC[C@H]3C2)nc1	2217176098	RFNFZSBGANVDEI-YUMQZZPRSA-N	233.080	-0.243	50	10	BBGE	
C#C[C@@H]1CCCCN1c1ncccc1B(O)O	2217177648	LNJOCZVNIDBMBU-SNVBAGLBSA-N	230.076	-0.247	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H](O)C2)c1F	2217179300	JCJYRPWTZPLVGG-RQJHMYQMSA-N	240.043	-0.774	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217180565	UUKCPIDVUMQODB-XPUUQOCRSA-N	239.059	-0.950	50	10	BBGE	
CO[C@H]1C=C[C@H](Nc2ccc(B(O)O)cn2)C1	2217184546	PYXBXBORDMLUNE-UWVGGRQHSA-N	234.064	-0.483	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1nccc(B(O)O)c1F	2217186778	OYJGEKCNDSCKNV-RQJHMYQMSA-N	242.059	-0.595	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNC23CCC3)c1	2217189399	CRXNIOWUCSIDBL-SECBINFHSA-N	234.064	-0.965	50	10	BBGE	
CC[C@H](CN)CCOc1ccc(B(O)O)cn1	2217191763	LCPSWYKBLIBTFQ-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C#CCN(CC#CC)c1ncccc1B(O)O	2217200604	UKECONXTCUROET-UHFFFAOYSA-N	228.060	-0.776	50	10	BBGE	
OC[C@@H](CC1CC1)Nc1cc(B(O)O)ccn1	2217205009	RXRVDXVKWJAQQG-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
O=[N+]([O-])c1nccn1Cc1cccc(B(O)O)c1	2220063399	RKUFZTMYBJPINO-UHFFFAOYSA-N	247.019	-0.481	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CCOC[C@@H]1C2	2223626715	JBZCELCNKPRRGQ-CABZTGNLSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1ccnc(NC2([C@@H]3CCNC3)CC2)c1	2223636892	NBGGHQHKZKOVRA-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1c1ncccc1B(O)O	2223640828	YSEOYYGCYGFQHI-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2CCC[C@H](N)CC2)cc1B(O)O	2223648948	RMHGBNDEODGYTO-JTQLQIEISA-N	249.123	-0.613	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@@H]3CNC[C@@H]32)c1	2223654885	UBGDALLQAGKXJR-DVVUODLYSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccc(OC[C@@]23CC[C@H]2CNC3)nc1	2223655724	DOPHAUMKKSDHAZ-CABZTGNLSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@@]23CCCO3)nc1	2223666721	KZEUHNWSXBLWAS-ONGXEEELSA-N	249.079	-0.720	50	10	BBGE	
CCN1CCC[C@@H](Nc2ncccc2B(O)O)C1	2223672054	RTFIZTOEDCFCJD-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)N(C)C1CC1	2223676204	XXQNBPUBSIRPPB-SECBINFHSA-N	249.123	-0.344	50	10	BBGE	
COC[C@@H](O[C@H](C)COC(F)F)C(=O)NN	2242793005	KPNYKDGUYCVQMC-PHDIDXHHSA-N	242.222	-0.364	50	10	BBGE	
C[C@@H](CCO)CNC(=O)C1(B(O)O)CCC1	2243348237	VUIATWXWTHHCLE-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ccoc1B(O)O	2243350161	WSIUBXUFJMZQNE-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
CNC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363786	MKFLTMFYYLNXSK-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
CN(CC[S@@](C)=O)C(=O)C1CC(B(O)O)C1	2243391420	KKPJXDVODJOICU-NYRZJEEJSA-N	247.125	-0.924	50	10	BBGE	
N#C[C@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCSC1	2243397033	UODSOPGZDCHJIC-BKPPORCPSA-N	240.093	-0.635	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccc(B(O)O)o1	2243401568	TXCQFGCFULQXFY-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
COC[C@H](C)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243419669	DLHPKBQLXLGALE-HRDYMLBCSA-N	229.085	-0.362	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243426651	JTXXHFPKTOBHGC-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C[C@H](O)C(=O)Nc1ccc(Cl)cc1B(O)O	2243664335	LYIRLURSVWZMFE-YFKPBYRVSA-N	243.455	-0.661	50	10	BBGE	
CC=CC(=O)NCc1sc(B(O)O)cc1C	2243685795	BJQNWWIXKVQOPP-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
CN(CC1COC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2243967656	AJODNVUHIJIMBO-KYZUINATSA-N	227.069	-0.656	50	10	BBGE	
NN=c1cc(C(=O)NC[C@@H]2C[C@@H]2Cl)cn[nH]1	2245275517	FROFPUOHVRTDRQ-FSPLSTOPSA-N	241.682	-0.459	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1coc(B(O)O)c1	2247735541	ZXLCSOGRYARZNT-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(C#CB(O)O)NC1C2(CCC2)C12CCC2	2247741060	UEIGFHNYAXBKOS-UHFFFAOYSA-N	233.076	-0.159	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2247743811	JQTMHRSRTQMLNP-SRSLHRDFSA-N	234.064	-0.777	50	10	BBGE	
O=C(NC[C@@H]1NC[C@@H]2C[C@@H]21)C1(B(O)O)CCC1	2247750388	IULQSEPCDKYXST-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(C(=O)C2(B(O)O)CC2)C1	2247753977	KQLXCRMNGPRLMB-JGVFFNPUSA-N	245.059	-0.421	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247754497	FAHFLFNCNSNJTD-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
C=C[C@H](C)NC(=O)c1c(C)cccc1B(O)O	2247760829	OIMYNLIYDHRZQF-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC=CC1	2247762122	ZVSQNAUZCMSQSO-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cncc(B(O)O)c1	2247771555	MITVQFMBAIYQJW-SNVBAGLBSA-N	234.064	-0.614	50	10	BBGE	
CCON(CC)C(=O)c1ccc(B(O)O)cn1	2247776017	SVILQFFVYGVVQM-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
C#CCCCNC(=O)c1cc(C)c(B(O)O)o1	2247789303	TZTGRORCOXURRA-UHFFFAOYSA-N	235.048	-0.589	50	10	BBGE	
CC(C)[C@]1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806548	FWRCUYMBLSNCTB-YWVKMMECSA-N	241.096	-0.531	50	10	BBGE	
CC=C1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247846746	LRJUAMPOCMZTTJ-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)C1(B(O)O)CCC1	2247853541	NKWSPUWQFDJZNQ-UHFFFAOYSA-N	237.068	-0.235	50	10	BBGE	
CN(C(=O)c1cc(F)ccc1B(O)O)C1CC1	2247867368	DDNUYAYEVATZOO-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
C#CCCNC(=O)c1cccc(B(O)O)c1F	2247870578	MFVLPQRBOXJCOR-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
C=CCN(C)C(=O)c1nc(C)ccc1B(O)O	2247870859	QZQMLXKIDWCQIX-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
CC(C)(C)[C@H](CCO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247895226	QCFZSPHPBZKNRC-VGMNWLOBSA-N	243.112	-0.237	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900295	VPIIOVLQUVSOQL-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC(C)(C)[C@@H]1CO	2247990497	UMQHGYFDAOEMAB-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
O=C(O)[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2248574693	UNSVBLCSWRTXLY-GJMOJQLCSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2248587923	WKXBCSWFIWBISR-LJGSYFOKSA-N	241.052	-0.637	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CN(C)C(=O)C#CB(O)O	2248643302	ZGNLNAZBWJDVQD-GXSJLCMTSA-N	239.080	-0.867	50	10	BBGE	
O=C(Nc1cccnc1)c1cc(B(O)O)co1	2249430921	QQAGWIOSHKYWJA-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCCC#CB(O)O)CCO1	2250001773	BOEMZMAZPFAYLB-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
CCc1ocnc1C(=O)NCCC#CB(O)O	2250004318	JNHITQKSPILZKF-UHFFFAOYSA-N	236.036	-0.628	50	10	BBGE	
C#CCC(=O)NCc1ccc(B(O)O)c(C)c1	2251325429	VUMWTPLBGXEPKV-UHFFFAOYSA-N	231.060	-0.686	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2(C)CC1C2	2255448303	CTSNOIGKILGINH-UHFFFAOYSA-N	249.075	-0.108	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1cc(B(O)O)n[nH]1	2255554004	GOEVJGNKZMZLPN-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCc1nccn1C1CC1)[C@@H]1C[C@H]1B(O)O	2255571008	LKZYGJDONGSVLX-RKDXNWHRSA-N	249.079	-0.303	50	10	BBGE	
N=c1cc(NC(=O)c2ccc(B(O)O)o2)cc[nH]1	2255675470	BFECMXLDCPQRAA-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ncc(B(O)O)cn1	2255771279	YJSYMNBHQBWZTK-HTQZYQBOSA-N	249.079	-0.831	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1cocc1B(O)O	2258131748	YMXGKSIGQBOMEI-DTWKUNHWSA-N	249.075	-0.265	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@@H](CO)C1	2296574309	LAAMTPCLRCVMAZ-QMMMGPOBSA-N	220.700	-0.392	50	10	BBGE	
N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C2(CC2)C1	2298376249	OMQYLXORHGRZLF-DJLDLDEBSA-N	238.096	-0.668	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	2299977723	BAZJIERLXWMZKT-XNDJQWLSSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)OC1CC(n2cnnc2)C1	2300921942	UWJJAIISBWTSRM-AFPNSQJFSA-N	239.279	-0.233	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1N(C)c1ncc(B(O)O)cn1	2301281819	UUECDBNJOUSVNC-HTQZYQBOSA-N	235.096	-0.363	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](O)[C@H]2C1)C(=O)NN	2303426917	SPWADTVSCHPUIX-QFOLPQNPSA-N	241.335	-0.295	50	10	BBGE	
C=CC[C@@H](CO)Nc1cc(B(O)O)c(F)cn1	2303835245	SUUILAIJYOMVSS-ZETCQYMHSA-N	240.043	-0.751	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2CC2(F)F)[nH]cc1F	2303835252	TVAGQPFHPUBTLY-RXMQYKEDSA-N	245.997	-0.611	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1occc1B(O)O	2313189060	STYQQOHBDLOKST-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317162142	IGAORSMQKDSVCN-IUCAKERBSA-N	248.091	-0.191	50	10	BBGE	
CC[C@@H](C)NC=C(C#N)C(=O)NCC(=O)O	2318468111	JTEIFZDFAJYXJH-SSDOTTSWSA-N	225.248	-0.017	50	10	BBGE	
N[C@@H](CCl)C(=O)N[C@@H](CCl)C(=O)O	5131765	VFVOOLWBPFEFKL-IMJSIDKUSA-N	229.063	-0.639	50	10	BBGE	
CCN(C[C@H]1CCCO1)C(=O)C(=O)NN	42472222	FDRFJVZKSBSZCN-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CCOCC(=O)NNC(=O)CCCOC	66655560	HTLHRTZLNCTVAO-UHFFFAOYSA-N	218.253	-0.403	50	10	BBGE	
NNC(=O)CN1C(=O)C(=O)c2ccccc21	70152317	QPTXESSHGADGKR-UHFFFAOYSA-N	219.200	-0.794	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@@H]1CO	70596893	PLARHYCENBXFIQ-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](CN)C1	82468103	OSBLSAFJKPPIBX-DTWKUNHWSA-N	214.313	-0.574	50	10	BBGE	
CC(C)(C)N1CCN(CCC(=O)NN)CC1	82470514	LQSUMAXKNSIOBI-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(N)CC1	82470853	SUBYASRXBQJSLT-SSDOTTSWSA-N	200.286	-0.822	50	10	BBGE	
CC(C)OCCN(C)CCC(=O)NN	87980003	LGNGGKOZAYZFDJ-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)CC(C)(C)O	92983858	MWKRPEAGPMBIIT-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
CCCOCCOC[C@H]1CC[C@H](C(=O)NN)O1	111111614	KSEBNBGMJMXMCT-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
CC#CCNC(=O)NNC(=O)Cc1ccccn1	135339606	NZZQDROHZYBVLN-UHFFFAOYSA-N	246.270	-0.022	50	10	BBGE	
CNC(=O)c1cc(S(=O)(=O)N=C=O)cn1C	157710204	INPYAEBFZKAZHE-UHFFFAOYSA-N	243.244	-0.591	50	10	BBGE	
Cn1ccc(COc2cccc(B(O)O)c2)n1	211867955	IAXVVZBVJPIQHM-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
Cn1cc(OC[C@H]2CC[C@H](C(=O)NN)O2)cn1	227957660	MLOXNNGXFJMZKX-VXNVDRBHSA-N	240.263	-0.664	50	10	BBGE	
CCOC(=O)[C@H](C)N(N=O)NC(N)=O	238798167	DYSWUIDMENWUDU-BYPYZUCNSA-N	204.186	-0.495	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCCN1C	252579666	OHNPRCSRKMVDQM-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252845207	CDQGAWZXTUDQCS-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H](C)SC	306485302	RKSWKDRDJYIWQQ-SCSAIBSYSA-N	207.324	-0.137	50	10	BBGE	
C[C@H](C#N)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	306757972	NYRMFIXEKJWCDF-FSDSQADBSA-N	222.697	-0.108	50	10	BBGE	
C[C@@H]1OCCN([C@H](C)C(=O)NN)[C@H]1C	307400640	AHQJMVVQZMFGJL-RNJXMRFFSA-N	201.270	-0.526	50	10	BBGE	
C[C@@H]1OCCN(CCC(=O)NN)[C@H]1C	307613176	LJHHLNVBYMFBLG-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@]1(C)CN	380820849	MDMCQSZFXCSVHU-FXPVBKGRSA-N	228.340	-0.328	50	10	BBGE	
C[C@@H](CN1CCC[C@@]12CCOC2)C(=O)NN	381408335	SBPBDEFNYCWKSJ-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1C#N	396114881	VJUZUMVBOFHDPF-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)NC1CC1	405136726	KEGFZJJRGSTILC-UHFFFAOYSA-N	238.027	-0.211	50	10	BBGE	
C=CCC[S@@](=O)CC(=O)NNC(C)=O	526912261	XHNNZRZLPPCWDM-CQSZACIVSA-N	218.278	-0.522	50	10	BBGE	
O=C1[C@@H](Br)CCN1CC#CCO	642871667	XHJAZMSZHDSXSA-ZETCQYMHSA-N	232.077	-0.022	50	10	BBGE	
CN(CC(F)F)CC(F)(F)C(=O)NN	685958112	PDHMCLPAGNIPMZ-UHFFFAOYSA-N	217.166	-0.192	50	10	BBGE	
CC[C@@]1(C)COCCN1[C@H](C)C(=O)NN	687844990	HKBFJJKAWXRHCS-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CN(CCc1nccs1)C(=O)C(=O)NN	688734723	ADDVLCHYBLXFPV-UHFFFAOYSA-N	228.277	-0.866	50	10	BBGE	
C[C@@]1(CN2CCC(O)(C#N)CC2)CCNC1=O	698322384	OSLZTEJQVZYYKC-NSHDSACASA-N	237.303	-0.137	50	10	BBGE	
COC[C@H]1CN(S(=O)(=O)CCl)CCO1	705851183	PRUWPGCFNHNDKY-SSDOTTSWSA-N	243.712	-0.140	50	10	BBGE	
C[C@H](CN1C[C@H]2CN(C)C[C@@H]2C1)C(=O)NN	706305872	CNAQKPWGAROQJO-OPRDCNLKSA-N	226.324	-0.894	50	10	BBGE	
CN(Cc1nnnn1C)C[C@H](Cl)C(=O)O	707608350	GBCXQJSZAKCQRE-YFKPBYRVSA-N	233.659	-0.666	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@H](O)[C@H](C)O	717356551	PTTZUQHMUNRNHK-ZLUOBGJFSA-N	240.097	-0.372	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)[C@@H]1CCCOC1	723863231	BEVGLLFGSJSBDD-HTQZYQBOSA-N	229.280	-0.702	50	10	BBGE	
NNC(=O)c1nc(CN2CCCC2)ns1	724349850	UNGIKERDCNWJJF-UHFFFAOYSA-N	227.293	-0.263	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C	730769449	JNLZKVFLDPINGB-UHFFFAOYSA-N	245.279	-0.917	50	10	BBGE	
CC(C)(C)OCC(=O)NNC(=O)c1cnn[nH]1	778261428	FOTDNSGQXHACIZ-UHFFFAOYSA-N	241.251	-0.619	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H](C)O	786874178	OJDVMKMHGQDCRR-ZETCQYMHSA-N	202.254	-0.049	50	10	BBGE	
C[C@@H](CC(=O)NN=c1cc[nH]cc1)NC(N)=O	847689743	DSJKBMMVVNTCMN-ZETCQYMHSA-N	237.263	-0.607	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCC(F)(F)CO2)c1	888083836	KSOLAVFXNNQPIQ-MRVPVSSYSA-N	246.022	-0.623	50	10	BBGE	
CN(NC(=O)c1cc(F)cnc1O)C(N)=O	1137625245	GLEWOICEQUVMOE-UHFFFAOYSA-N	228.183	-0.418	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CC(=O)N(C)C1	1157605946	DXUNMUBBDLWPDV-MRVPVSSYSA-N	229.280	-0.926	50	10	BBGE	
Cc1ccnc(C(=O)NNc2nnc(C)n2C)n1	1329160186	CIPZEZXLQMRFNZ-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1	1467368645	ROYZMXJVDCZUSP-MRVPVSSYSA-N	217.033	-0.882	50	10	BBGE	
Cc1cc(NNC(=O)c2nnn(C)n2)ncn1	1558934391	AGAMJVOTZHFLCL-UHFFFAOYSA-N	234.223	-0.935	50	10	BBGE	
C[C@@H](O)C(=O)NCCSSCCN	1882337072	WGSMDEGALPYGTO-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
OC[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl	1883566185	HQDPHOQSTAHZAK-HRDYMLBCSA-N	204.701	-0.120	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1OCC[C@@H]1F	1885220509	UBSHSJRMQGTAQN-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
CC[C@@](C)(CSCC(N)=O)C(=O)NN	1891975223	CRMKDQABCOVBJY-QMMMGPOBSA-N	219.310	-0.389	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@H]1CNC[C@@H]1O	1893453485	NIXVIXFFNKNEGN-KVPKETBZSA-N	218.684	-0.595	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]1(F)C[C@H]1C	1898074905	CYWARMMHCKCPHY-GMSGAONNSA-N	231.271	-0.166	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@]1(N)C[C@H]1C	1901339276	LFTZHSHCTUUHHC-VXNVDRBHSA-N	249.336	-0.575	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C=CCC2)n1	1905419210	SANPMBLTGOZIJD-QMMMGPOBSA-N	220.037	-0.438	50	10	BBGE	
CCN(CCO)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909809361	VVRUAGZXSBWKLP-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCN1CC2(C1)CC2(F)F	1914519834	CDZXWBUAGUGMFK-UHFFFAOYSA-N	205.208	-0.293	50	10	BBGE	
COC(=O)CS(=O)(=O)N1CC=C(C#N)CC1	1917082526	PDAIEKMNMZALKV-UHFFFAOYSA-N	244.272	-0.355	50	10	BBGE	
CN(CCF)CCOc1cccc(B(O)O)c1	1917267685	BSZJBAUWWMHZSY-UHFFFAOYSA-N	241.071	-0.354	50	10	BBGE	
C[C@H](O)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	1927913538	KFLOUCPNPCDNFU-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1CCOCC(=O)NN	1928180532	BWIHTQUHLFKTSW-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H]1CCS1(=O)=O	1930859338	MYEIFEITNMFDDY-WDSKDSINSA-N	225.697	-0.083	50	10	BBGE	
NNC(=O)COCCn1cc(C2CC2)cn1	1936531747	UUHREUGGYOABSW-UHFFFAOYSA-N	224.264	-0.233	50	10	BBGE	
C[C@@H](CN1CCOC2(CCC2)C1)C(=O)NN	1938566889	SFLOXELXXFDFCN-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C[C@@H]1C[C@H]1C(=O)NN	1941088461	QRGATOAXNKDDRY-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
N#CC1(O)CCN(c2ncnc(NN)n2)CC1	1946026059	DMACPNJTNFATTF-UHFFFAOYSA-N	235.251	-0.988	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1951321668	BMIYHVRKFOMZJD-HLTSFMKQSA-N	227.069	-0.513	50	10	BBGE	
COc1ncc([C@H](N)[C@@H](O)C#N)cc1[N+](=O)[O-]	1952957042	SHOXSHLGEAQQQR-YUMQZZPRSA-N	238.203	-0.117	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C[C@@H](O)CCl	1954824197	URNXJVKEUVMAFI-RQJHMYQMSA-N	206.673	-0.594	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(S(N)(=O)=O)C1	1957306362	JOBRQPAJBVQMGF-YFKPBYRVSA-N	240.712	-0.497	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@H](CCl)CO1	1957844524	PERJDSRXVLVSCR-RNFRBKRXSA-N	231.687	-0.312	50	10	BBGE	
CP(C)(=O)[C@@H]1CCCN1C(=O)C(=O)NN	1960086804	JYRDDQUTDSCDJT-ZCFIWIBFSA-N	233.208	-0.453	50	10	BBGE	
Cn1ccc2c1CN(CC(=O)NN)CC2	1961433360	FRRKEUHYAGSNJZ-UHFFFAOYSA-N	208.265	-0.627	50	10	BBGE	
NNC(=O)CN1CC[C@H](n2cccc2)C1	1961477563	JJRMQMQRKZVIKX-VIFPVBQESA-N	208.265	-0.275	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCCC[C@@H]1O	1961675537	CKZDACVNFPLPGB-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
OB(O)c1cccnc1S[C@@H]1CCOC1	1961706880	AOCVKJGKYLMCRT-SSDOTTSWSA-N	225.078	-0.358	50	10	BBGE	
CCN(CCC(=O)NN)Cc1cnn(C)c1	1980742305	TXOSSSLMOMAXKQ-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
CCN(CC(F)F)c1ncccc1B(O)O	1981423220	ANNRIVUEHJUXNC-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CO1	1981430614	QDFMOXCVEKSWOY-IONNQARKSA-N	223.037	-0.682	50	10	BBGE	
COCc1nccn1C[C@H]1C[C@H]1C(=O)NN	1985660083	NRRIJWLJRFJVMU-HTQZYQBOSA-N	224.264	-0.345	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]12CC[C@@H](CO1)C2	1989934838	FCIOFBCNVPFDOU-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1CC(CO)C1	1990039683	UDMSMOCOTNGLKO-DKEVHCRPSA-N	229.324	-0.296	50	10	BBGE	
O=C(O)C1=C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]2Cl)C1	1991683622	VILAZXMBKOSJKW-CWKFCGSDSA-N	245.662	-0.126	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCCC[C@H]1C2	1992152401	DXKDCXZKLGDVSK-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
C[C@@H](CF)NC(=O)c1ccccc1B(O)O	1992837526	ZHXIFEASDCVPMQ-ZETCQYMHSA-N	225.028	-0.546	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(F)C[C@@H]1C	1995036360	MCAVGFPBWHZYTL-QXFUBDJGSA-N	233.287	-0.329	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@H](C)C1	1997243112	DKFLUFVROHQNCW-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CN(C)NC(=O)c1ncc(C#CCN)cc1F	2002339070	FIZHGTLPXQPVKR-UHFFFAOYSA-N	236.250	-0.263	50	10	BBGE	
COC[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2004918539	MXRFWVQTFCUQHC-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CC[C@H](COc1ccncc1B(O)O)N(C)C	2008532046	UYXNYKSLZXKXDA-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H](CCO)O1	2009339143	QKROWHGSXWVSEQ-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(c2cnn(C)c2)C1	2019131561	AZEZCFMDWPXYSW-MRVPVSSYSA-N	237.307	-0.412	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC#N)CC1CC1	2019212070	RPNHVYAYXXPKEI-UHFFFAOYSA-N	238.291	-0.221	50	10	BBGE	
C=CCO[C@@H]1CCN(CC(=O)NNC(C)=O)C1	2019220545	ZGYMLLKJSYPNMT-SNVBAGLBSA-N	241.291	-0.569	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC=CB(O)O)[C@H]1C	2020055494	BIRPEPZQRIFJAB-QEYWKRMJSA-N	241.096	-0.270	50	10	BBGE	
Cc1nocc1C(=O)N[C@H]1CCC=C1B(O)O	2020056190	IQSMHVMXGRJVLS-VIFPVBQESA-N	236.036	-0.186	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NCC#CB(O)O)C2	2021103883	IDZMJXSDLMWIAQ-MFAVDMRSSA-N	237.064	-0.924	50	10	BBGE	
COC[C@](C)(CN(C)C[C@@H](C)C(=O)NN)OC	2021121222	KNDFRWFRDKPKCS-KOLCDFICSA-N	247.339	-0.404	50	10	BBGE	
COC[C@H](C)COC[C@H]1CC[C@H](C(=O)NN)O1	2026062173	PUBRAWIRNMWECS-IVZWLZJFSA-N	246.307	-0.177	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@@H]21	2040764807	HYZOYTPFDBYWFB-VDAHYXPESA-N	247.063	-0.859	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2[C@H]3CC[C@H]32)ncc1B(O)O	2052560512	YQYCZKIZECBAAW-MYJAWHEDSA-N	247.107	-0.443	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(F)CCOC1	2209977861	UWTFGCHAXCKZIY-QMMMGPOBSA-N	205.233	-0.963	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@H](O)C2)CCC1	2212249581	UMSRGEBONKVZEG-VIFPVBQESA-N	225.292	-0.621	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CC1(C(=O)NN)CCC1	2212265586	ICGPVNZCRITKKJ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
Cc1ccn(-c2cc(B(O)O)c(C)cn2)n1	2212596304	UHWFNYCXBWNMAG-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213022791	ADDGJNJHJHGSPS-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C[C@H]1C[C@@H]1C(=O)NN	2213352616	GAWFNHVCGMKDLJ-LNGZZDABSA-N	239.319	-0.542	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C[C@@H](C)O	2214597937	ATTNDHTTWBLTRO-SNVBAGLBSA-N	237.108	-0.431	50	10	BBGE	
O=c1c(B(O)O)cccn1CCC1CC(F)C1	2215030368	JNLIQAFPRDCLBG-UHFFFAOYSA-N	239.055	-0.334	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN(CCO)C1CCC1	2215771448	IFRZAVINKNFPEO-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C[C@H]1CCN1C	2215774954	FPCLLNUVXNGLTC-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
N#C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)CCO1	2215775049	FWJZPMVFUWJJDO-OPRDCNLKSA-N	238.291	-0.773	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	2215777118	QRZOBVCIDNBYFA-AATLWQCWSA-N	235.287	-0.211	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215777501	SWXLVSORPWNOCQ-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CCNC(=O)CN(C)CC1(C(=O)NN)CCC1	2216495201	LPHBCBRLNCPNAJ-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)Nc1ncccc1B(O)O	2217172280	IWVMMPMTMRZPML-NXEZZACHSA-N	238.096	-0.277	50	10	BBGE	
Cc1nocc1CN=c1ccc(B(O)O)c[nH]1	2217172877	NINXVTYCWRUMJT-UHFFFAOYSA-N	233.036	-0.908	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1nccc(B(O)O)c1F	2217179835	BVBWJSKXZYNYCG-RQJHMYQMSA-N	242.034	-0.163	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)CCN)cc1B(O)O	2217184440	TUVYOUWFILJJJM-SECBINFHSA-N	237.112	-0.757	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Oc1ccc(B(O)O)cn1	2217188370	NEJXNPJHIIWRJJ-IUCAKERBSA-N	236.080	-0.734	50	10	BBGE	
C#CC1(CNc2cc(B(O)O)ccn2)CCC1	2217202915	NAMYPPMNTKSRFU-UHFFFAOYSA-N	230.076	-0.023	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1Cn1cc(B(O)O)cnc1=O	2217411861	ZGFIQFJWQIVOES-WPRPVWTQSA-N	236.080	-0.785	50	10	BBGE	
CN1CCCC12CN(c1cc(B(O)O)ccn1)C2	2223631938	CRQWHCXYJXDSDG-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2223632393	JDXHBTJWLHQVLK-TUTUZKQUSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@]3(CCNC3)C2)nc1	2223660730	MPNGMRKKXUVDBI-KLPPZKSPSA-N	248.091	-0.718	50	10	BBGE	
CN(C)NC(=O)[C@@H]1NCCOC1(C)C	2241262350	ZOKVRVUOAPKVAJ-ZETCQYMHSA-N	201.270	-0.654	50	10	BBGE	
C[C@H](F)CCNC(=O)C1(B(O)O)CC1	2241473370	JCAJKKVDGXFJQX-LURJTMIESA-N	203.022	-0.142	50	10	BBGE	
CSCCN(C)C(=O)C1(B(O)O)CC1	2241480555	JHSGXCCZEZALCL-UHFFFAOYSA-N	217.099	-0.185	50	10	BBGE	
C=C(F)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2241495776	MKXGWGQTIDBUHN-NKWVEPMBSA-N	201.006	-0.209	50	10	BBGE	
COC[C@@]1(C)C[C@H]1C(=O)NNC(N)=S	2241601066	CPWVWSVEITXVET-YLWLKBPMSA-N	217.294	-0.477	50	10	BBGE	
OC[C@H](O)[C@@H]1CCN1CCBr	2241812079	XBOODEIZRORJMQ-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
C=CC[C@H](CO)NC(=O)C1(B(O)O)CCC1	2243363139	BPKMWWQZGVVUNF-MRVPVSSYSA-N	227.069	-0.563	50	10	BBGE	
C[C@H]1OCC[C@]1(C)NC(=O)C1(B(O)O)CC1	2243364220	SXEONWMVJJUCTH-APPZFPTMSA-N	227.069	-0.323	50	10	BBGE	
Cc1cc(C(=O)N(C)CCF)oc1B(O)O	2243378181	OBIVBMPZAOKVAN-UHFFFAOYSA-N	229.016	-0.691	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243383618	ZZUXEOCPYUWJFU-AMDVSUOASA-N	227.069	-0.513	50	10	BBGE	
O=C(c1ccc(B(O)O)c(Cl)c1)N1CCC1	2243411083	NKQNVYMKQNQWEV-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)sn2)C1	2243415328	SDXSXCGWPARXBG-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C=C(F)CN(C)C(=O)c1sncc1B(O)O	2243415501	WKQNOCYIFIJESB-UHFFFAOYSA-N	244.056	-0.622	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243416194	IJNQQVYBRSSAKG-MAUMQABQSA-N	227.069	-0.874	50	10	BBGE	
OB(O)c1csc(OC2(C3CC3)COC2)n1	2245018008	JIOYMVHTGVGAIH-UHFFFAOYSA-N	241.077	-0.619	50	10	BBGE	
CC=C1CCN(C(=O)c2coc(B(O)O)c2)C1	2247723509	STJZZBHNGKSTNH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CCC2)n[nH]1	2247737687	IPBWVYBFZHMBMA-UHFFFAOYSA-N	238.056	-0.874	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ccc(B(O)O)o1	2247741812	GGSUIWDIRZUWPG-SSDOTTSWSA-N	235.048	-0.511	50	10	BBGE	
O=C(N[C@@]12CCNC[C@H]1C2)C1(B(O)O)CCC1	2247751334	WIBZWBMRDJZILR-LDYMZIIASA-N	238.096	-0.748	50	10	BBGE	
C=C1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2247752551	RHHNDIOLWUPIRN-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCC1	2247761486	VPCGESDSIUZSAG-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2247775191	IKJYCSJLAHINTJ-GMSGAONNSA-N	234.064	-0.758	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785870	ROXYAXPFEUUOFP-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789761	AYUOOLSHHJPLGP-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
CN1CC2(CCN(C(=O)[C@@H]3C[C@@H]3B(O)O)C2)C1	2247809596	ZWQOXFCJLWUIIV-BDAKNGLRSA-N	238.096	-0.987	50	10	BBGE	
C#CCN(CCC)C(=O)c1cc(B(O)O)c[nH]1	2247846839	MXHKMGHFVBUEJH-UHFFFAOYSA-N	234.064	-0.820	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2247847797	BROBNYMXVCZPOV-ZYUZMQFOSA-N	237.064	-0.926	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2C(=O)[C@H]1C[C@@H]1B(O)O	2247854959	LHRHTOXNNWWPFB-PJFCORBGSA-N	237.064	-0.223	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cc1C	2247860602	YWOVJKAKFRYBHE-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H](C)F)c1	2247873413	JEKLYNRPVUCIGY-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CN(Cc1ncccn1)C(=O)C1(B(O)O)CC1	2247874434	MKCVVJVZWDMVGK-UHFFFAOYSA-N	235.052	-0.558	50	10	BBGE	
O=C(N1CCC(CCO)CC1)C1(B(O)O)CC1	2247877903	KCMNMMGLRZWRBK-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247896124	XGXQTXLJICHNTH-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896710	JJXYCYNGBZNGAA-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ccnc(B(O)O)c1	2248416807	ZBTBSMFFXJAWQR-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H](F)CN1C(=O)C1(B(O)O)CC1	2248587752	UGJWRFFETPHKIV-RITPCOANSA-N	245.015	-0.983	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H]1C(=O)O	2248588300	BAHWCTBRPJSDMA-FACXLHOTSA-N	241.052	-0.829	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@H]1C	2248970703	YKKRCHPRTKTPEL-MRVPVSSYSA-N	234.064	-0.696	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NCCC#CB(O)O	2250002328	JSJVPANZVSLZCR-SFYZADRCSA-N	245.034	-0.201	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NCCC#CB(O)O	2250009228	VVOYNZXBTLWSAF-XCBNKYQSSA-N	245.034	-0.201	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@H](CCC(=O)O)C1	2252699062	HTNNPBPRPKNWDL-MRVPVSSYSA-N	245.279	-0.262	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cc(B(O)O)oc2C)C1	2255453002	NTTWVMJTADJBGL-SECBINFHSA-N	247.059	-0.637	50	10	BBGE	
C#CCCN(CC)C(=O)c1ccncc1B(O)O	2255459864	MTXBBTDGPYUMNX-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1F	2255501159	ATOIAWRYWMJRKN-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1coc(B(O)O)c1	2255686169	MZYIGUWEIDNESQ-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@]1(C)C[C@@H]1C	2257494767	OOVFUFFVXRUACW-QPUJVOFHSA-N	248.091	-0.402	50	10	BBGE	
C=CCN(OC)C(=O)c1cccc(B(O)O)c1C	2258282421	YCZTVTJPDFAFGU-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C2(CC2)C1	2298374816	OMQYLXORHGRZLF-YIZRAAEISA-N	238.096	-0.668	50	10	BBGE	
Cc1cc(NC(=O)C2(O)CC2)cc(B(O)O)c1	2301851559	ZXWJCKIXYCMKOF-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
COC[C@@H](CN(C)CC(B(O)O)=C(C)C)OC	2301953116	NJVSQRBXAQADQX-SNVBAGLBSA-N	245.128	-0.072	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2302031011	DBCJNHXFBQSKBJ-YIZRAAEISA-N	243.112	-0.239	50	10	BBGE	
CC[C@@](C)(CN1CC(=O)NC[C@H]1C)C(=O)NN	2303427078	VFKUWIQPQBDXQA-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)CCC1=O)C(=O)NN	2303438822	JCMVRACQSREGRU-KWQFWETISA-N	243.307	-0.624	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2N[C@@H]3CC[C@H]2C3)c1	2312614342	INYRKHACYLJTOM-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1CC(N)C2	40750302	WOGWHTXHEZZWPE-PBINXNQUSA-N	240.307	-0.892	50	10	BBGE	
CNC[C@@H]1CCCN(CCC(=O)NN)C1	82471258	SALKMCXAHZVZAA-VIFPVBQESA-N	214.313	-0.702	50	10	BBGE	
NC1CN(CC(=O)NNc2ccccn2)C1	83635860	GWTDQZIZXHOHOJ-UHFFFAOYSA-N	221.264	-0.832	50	10	BBGE	
CNC(=O)C1CCN([C@@H](C)CC(=O)NN)CC1	110592986	AIIOOPHFTUPQPO-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CS(=O)(=O)N1CCC(O)(C#N)CC1	144914486	AAAGJNOLRRDQFB-UHFFFAOYSA-N	204.251	-0.704	50	10	BBGE	
O=c1ccncn1C[C@@H](O)CBr	156259550	QWALDPSDWYNGRC-LURJTMIESA-N	233.065	-0.001	50	10	BBGE	
CC(=O)N[C@H]1COC[C@@H]1C(=O)CCl	156807156	IPZFRMNCQGELPG-BQBZGAKWSA-N	205.641	-0.055	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(N)=S)CO1	161849762	JOKFNJUEKMZFDD-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
CN(C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	167566143	RJIGZCFPCYGNMP-RITPCOANSA-N	240.712	-0.338	50	10	BBGE	
C[C@H](NC(=O)[C@@H](N)C1CCCCC1)B(O)O	195881204	VLMDGYWBACIKHU-CBAPKCEASA-N	228.101	-0.589	50	10	BBGE	
C=CC(=O)Nc1ccc(F)cc1B(O)O	216448627	IZIIZWRTUPWWLE-UHFFFAOYSA-N	208.985	-0.370	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](C)C1	229489328	HCXXVULHZCTZMX-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CS[C@H]1CCC[C@@H](NC(=O)C(=O)NN)C1	235069634	DLLYIMFBXBWXEF-RQJHMYQMSA-N	231.321	-0.233	50	10	BBGE	
NC[C@H]1CCN(Cc2cccc(C(=O)NN)n2)C1	236245061	KXIDHRJBOKRTSJ-SECBINFHSA-N	249.318	-0.534	50	10	BBGE	
COC(=O)CCC[C@@H]1NC(=O)OC1=O	238333861	JRDYQZDDCZWMQO-YFKPBYRVSA-N	201.178	-0.035	50	10	BBGE	
OB(O)c1c([C@@H]2CCCNC2)ccc2c1OCO2	258466363	WNVHSHQETGKIAA-MRVPVSSYSA-N	249.075	-0.438	50	10	BBGE	
CN(N)C(=O)[C@@H](N)c1ccc2c(c1)OCO2	259085995	OSHVITFWSNGOJW-VIFPVBQESA-N	223.232	-0.253	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	302632248	TWKIYOALRWQMFR-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
Nc1csc2c(B(O)O)cc(O)cc12	306735243	PBVFRCMBSMLJHI-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@H](C)N(CCO)[C@@H](CC)C(=O)NN	308821392	QRBHMKAUVYKDEC-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
Cc1cnn(-c2cc(B(O)O)cnc2Cl)c1	309522890	YXNWXWBGIHJNMW-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[S@@](=O)CC1	321919401	TUWDSOJGIFJMNZ-OMQMVUIESA-N	247.364	-0.545	50	10	BBGE	
COC(C)(C)COC[C@@H]1CC[C@@H](C(=O)NN)O1	379279281	BXUGMBCMEGVABN-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
C[C@H](Cl)C(=O)c1cccc(CO)c1B(O)O	396039437	JQDQXCULRAESPW-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(B(O)O)cc1CO	396063726	WPPITNLYHFNRMP-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
N#CCCc1cccc(CC(=O)O)c1B(O)O	396128966	BGDWCEOFHBGZLJ-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
CC(=O)N1CCc2ccc(B(O)O)cc21	396139715	SPZMAVKFXPYKQR-UHFFFAOYSA-N	205.022	-0.725	50	10	BBGE	
Nc1c(C(=O)O)ccc2c(B(O)O)csc12	396240518	HSBDASHDARDSEQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CN1CCCOC[C@@H]1C)C(=O)NN	398906633	GCLZVUBIQPHJME-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cncs1	400073412	WDKUNRFHHHQMOA-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
C=CCNC(=O)Nc1ncc(B(O)O)s1	405164522	KAVCAWCROAVYFJ-UHFFFAOYSA-N	227.054	-0.870	50	10	BBGE	
C[S@@](=O)Nc1cccc(B(O)O)c1F	575453452	AMNOBVLTMHIUSU-CQSZACIVSA-N	217.030	-0.789	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2COC[C@H]2C1	690721275	FGEUZJFBHSGTPI-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
C[C@@]1(C(=O)N2CCC(O)(C#N)CC2)CCNC1	692122544	BNGBLEXGYQTZML-LLVKDONJSA-N	237.303	-0.137	50	10	BBGE	
N#CC1(O)CCN(c2ccc(N)nn2)CC1	692134378	JQYDCJFFVDBUGA-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@@H](C#N)C1	695104509	SAPXPXYNZZPEGH-VHSXEESVSA-N	240.307	-0.385	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1nnn(C)n1	697209337	SOZFNPVIZRSNND-RXMQYKEDSA-N	233.659	-0.806	50	10	BBGE	
Cc1cc(CN(C)CC(=O)NN)ccn1	703133198	NTDONNVYHQYONN-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
COCCOC1CN(CCCCC(=O)NN)C1	707346834	MOCAMWUPDCHWMF-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718261725	ZFQXMBIXINXMGO-RBXMUDONSA-N	211.265	-0.915	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]1(C)CO	723000314	OEUIIOLXJMHUAB-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CCC(=O)NN[C@H](C(=O)OC)C1CC1	781588203	PJODZZVYQAVQAR-QMMMGPOBSA-N	200.238	-0.031	50	10	BBGE	
COCCCNC(=O)NNC(=O)COC1CC1	900385053	QJNHGNFCSDTQOR-UHFFFAOYSA-N	245.279	-0.468	50	10	BBGE	
CCc1cnc(CC(=O)NN(C)C[C@H](C)O)[nH]1	910139835	DLQGHKNSKGMUID-QMMMGPOBSA-N	240.307	-0.142	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1ncc(F)cn1	1466131364	GKPOCWFBRLRQSO-SKRYNEFJSA-N	226.211	-0.004	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1616377807	FKFZLPSCEGUBCP-RNFRBKRXSA-N	233.231	-0.361	50	10	BBGE	
Cn1cc(CC(=O)NNC(=O)c2cc[nH]n2)cn1	1629180100	IBVZLHMLKFGLIQ-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
Cn1nnc(CNC[C@H]2C[C@H]2Cl)n1	1883550056	CZPZNDLOGGEEFB-PHDIDXHHSA-N	201.661	-0.073	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)CBr)C[C@H]21	1883971312	QVZNZMZESSZDFR-CNYLLVADSA-N	247.092	-0.429	50	10	BBGE	
CCC1(O[C@H](C)CC(=O)NN)COC1	1888042077	ARFYINKJAFTJEE-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(CC(=O)NN)C1	1888274900	OZLAUEXMYLKFSI-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
C[C@@H]1C(=O)NCC(=O)N1C[C@H]1C[C@H]1Cl	1893100614	WGVXNYTWVZBLSC-FSDSQADBSA-N	216.668	-0.039	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C[C@H]1C[C@@H]1Cl	1893107036	JUTGCKARJWKRGD-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
O=C(O)[C@@H](O)CCNC(=O)[C@H]1C[C@H]1Cl	1893475447	UJYHVIVOSUORKX-JKUQZMGJSA-N	221.640	-0.435	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCc2cccnc21	1900629579	LWHJTNJQAGTFKN-SSDOTTSWSA-N	220.232	-0.825	50	10	BBGE	
CCN(OC)c1ccc(B(O)O)cc1C#N	1901199981	PEAYBWKQYFKZIS-UHFFFAOYSA-N	220.037	-0.374	50	10	BBGE	
CCSCC(=O)Nc1cc(B(O)O)ccn1	1901549734	BAHODIVCZRLAGR-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
Cc1nccnc1CN1CC[C@H](B(O)O)C1	1902535247	ZTZLRAPSFDTPPP-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
CC[C@](C)(CN(C)CC(=O)NC)C(=O)NN	1902708468	HUTXTUGUDBRKDP-SNVBAGLBSA-N	230.312	-0.930	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3C[C@H]32)ncc1F	1903006369	SBZNDRVFULDGTJ-HZGVNTEJSA-N	222.028	-0.501	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC12COC2	1910281785	CSTUTHKMXAKHQI-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)C1COC1	1915651716	WPVMNFIMXHFAIY-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
C[C@@H](C1CC1)N(C)CCOCC(=O)NN	1928180015	WQQPGHGWCKLAOK-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930891073	XYENOJFICIPRPK-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)CCCO1	1935945856	WYSOMHOBJRWUAC-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@H](O)[C@H]1CC2	1939158587	VJMXOURLTJHDAC-RGOKHQFPSA-N	227.308	-0.257	50	10	BBGE	
Cn1ncc(C(=O)NC[C@@H]2COC[C@@H]2Cl)n1	1939172486	OKLUSEMBENTXKN-RQJHMYQMSA-N	244.682	-0.201	50	10	BBGE	
CN1C[C@@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1939744249	LJXSQZBXBLLEAX-NXEZZACHSA-N	225.292	-0.988	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@H]1CO	1945883223	VWZLNVCMLSKOOJ-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)C[C@@H]1CO	1945903590	CRODWBZYCAIHMT-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
COCc1nc(C(=O)NCB(O)O)cs1	1951321667	BFCIULFQVQUJHB-UHFFFAOYSA-N	230.054	-0.969	50	10	BBGE	
Cn1ncc(CN2CCC(B(O)O)CC2)n1	1951321775	GHTJUUVCNIGKPD-UHFFFAOYSA-N	224.073	-0.746	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)[C@H]2C[C@H]21	1953944569	RZUYPVQPVLEAON-RQJHMYQMSA-N	224.713	-0.099	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)CCCl)C1	1955609784	YDZDBNNIFKAFGO-UHFFFAOYSA-N	220.656	-0.672	50	10	BBGE	
CCN(CC)CCN(C)CC(=O)NN	1956754833	YGRJHTQUEFINDA-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
O=S(=O)(CCl)N1CC(n2cnnc2)C1	1956762122	YRIBPMFWCOOYSZ-UHFFFAOYSA-N	236.684	-0.339	50	10	BBGE	
CCN([C@H]1CCNC1=O)S(=O)(=O)CCl	1956858235	LOGVVXMSGQFVOM-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)NN)C[C@H]1OC	1956958147	ZDORXVWIDWWOSR-KVSKUHBBSA-N	203.242	-0.648	50	10	BBGE	
NNC(=O)NCCCOC[C@H]1CCCO1	1958699032	GSSPSBONSNXRIM-MRVPVSSYSA-N	217.269	-0.255	50	10	BBGE	
NC(=O)N[C@H]1CCCN(C[C@@H](O)CCl)C1	1960162925	HMSNCJKXUBRGKT-YUMQZZPRSA-N	235.715	-0.281	50	10	BBGE	
CN(CC(=O)NN)Cc1c(Cl)ncn1C	1960925490	TVKFQTGQTPRQBK-UHFFFAOYSA-N	231.687	-0.505	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)C(=O)NN)on1	1961297009	PMQLSDHXLGYASP-SSDOTTSWSA-N	212.253	-0.207	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H]2C[C@@H]21	1961509554	TVBDVXDZJJOCFA-WDSKDSINSA-N	221.207	-0.915	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)C[C@@H](C)Cl)C1	1962368870	ASOZJLSFGXLGGK-ZCFIWIBFSA-N	234.683	-0.284	50	10	BBGE	
O=C(NCCOC1CC1)c1ccc(B(O)O)cc1	1963590678	QDOCVFFTCLMHOP-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1974541924	VBQSUUGARWOXCG-BZNPZCIMSA-N	213.281	-0.790	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1976578887	LQFLTPTZTRGIJI-WCBMZHEXSA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2COCC[C@@H]21	1980814853	YWVSGJMHGCNARV-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1N(C)C	1980826010	OVVVWCCLHGUHIV-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H]1CN([C@@H](C)C(=O)NN)CC[C@@H]1CCO	1981406641	GVRWUWWZRFKELX-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H]1CN([C@@H](C)C(=O)NN)CC1(C)C	1982496040	AWOSJDWNBYQLMT-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C(C)(C)F)C1	1984252557	DCHKQLFCDXUZQK-MRVPVSSYSA-N	233.287	-0.329	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCN2CCOC[C@@H]2C1	1986930776	LXCWCJXGURHOKW-DTWKUNHWSA-N	248.710	-0.305	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1989120349	YGMASWYOSGRPNR-DTWKUNHWSA-N	229.324	-0.154	50	10	BBGE	
C[C@]12CCO[C@](CNC(=O)C(=O)NN)(C1)C2	1990101799	FTNPODANQCWUKD-AOOOYVTPSA-N	227.264	-0.948	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	1991331503	PHQHFSXZEBGUKK-XSJBAMTNSA-N	221.065	-0.427	50	10	BBGE	
O=C1CN(CC2CC(Cl)C2)[C@H](C(=O)O)CN1	1991698644	RIQSCBBUTSYZDE-RRQHEKLDSA-N	246.694	-0.111	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOC(F)F	1993959754	PNCJWFAGERPULP-ZCFIWIBFSA-N	241.238	-0.838	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@H]1CCCNC1=O	2004311857	QXEPGZMQZPKNQJ-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CN(C)c1ncc(B(O)O)cn1)C1CC1	2004919071	UFNSESAKQWRHRY-QMMMGPOBSA-N	235.096	-0.361	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	2006028672	CEVOTVQYIYQUOW-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1cnn(C(F)F)c1)C(=O)C(=O)NN	2008181530	GDQDVYPPDSKXGA-UHFFFAOYSA-N	247.205	-0.774	50	10	BBGE	
CNC(=O)CN(C)C[C@H]1CC[C@H](C(=O)NN)C1	2010834370	BVBLTCAQYGIPAU-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3(CCO3)C2)C1	2010834372	BXBAFFOGESJAIX-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CO[C@@H]1CC[C@H](n2nc(C)c(B(O)O)c2C)C1	2013950695	AKIOJYLTDXCCSE-VHSXEESVSA-N	238.096	-0.080	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cc(F)cc(B(O)O)c1	2014606622	ZCFMWZNJOTUCEU-HQJQHLMTSA-N	240.039	-0.081	50	10	BBGE	
C[C@H](CN1CC[C@@H](OCCCO)C1)C(=O)NN	2026095121	MSIMUPLGFOHSLF-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1cnco1	2031811574	SGRMXAWACFEQDL-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@H]21	2040764806	HYZOYTPFDBYWFB-NBEYISGCSA-N	247.063	-0.859	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C)(C3CC3)C2)n1	2052626291	CAINUHFUJHIDQA-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
Cc1ccc(NC(=O)CC2COC2)c(B(O)O)c1	2056492711	ACWHZFVOHHHVMK-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCc1ccncc1	2058155861	PGKUUDKJPJGQSE-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC12CC(CCO1)C2	2058958148	JRDIVSATAFTAQD-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
Cc1nc(NC(=O)C2[C@H](C)[C@H]2C)ncc1B(O)O	2069485683	ZDGXGTOJNUCUQX-PHDIDXHHSA-N	249.079	-0.695	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212293980	OFZWPHYHLFBGDH-DIYOJNKTSA-N	219.049	-0.061	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC3)CO2)c1	2212601543	PJQQOWOYGNQTHH-UHFFFAOYSA-N	220.037	-0.707	50	10	BBGE	
C#CC1(CNc2ccc(B(O)O)cn2)CC1	2212606081	OBMLUSZMPJFDBV-UHFFFAOYSA-N	216.049	-0.413	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@@H]1C(=O)NN	2213352613	GAWFNHVCGMKDLJ-GBVMLCMLSA-N	239.319	-0.542	50	10	BBGE	
CON(C)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215770719	DCODYMFPWCPJRB-PSASIEDQSA-N	242.323	-0.820	50	10	BBGE	
C[C@@H]1CC(=O)N(CC2(C(=O)NN)CCC2)C1=O	2216529150	BALYFQMOOKNPTL-SSDOTTSWSA-N	239.275	-0.458	50	10	BBGE	
Cc1cnc(-n2cnc(C)c2C)cc1B(O)O	2217163065	MLGHUPNNEVMMDN-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
C#CCC1(Nc2ncc(B(O)O)cn2)CCC1	2217176120	RNKYHLYNGVSEOM-UHFFFAOYSA-N	231.064	-0.486	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CCC3)C2)c1F	2217180512	IHRQDGYGYWTWKA-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
C[C@H]1CNC[C@@H](Oc2ncccc2B(O)O)C1	2217180846	LGTMRYLCMBWAMK-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N[C@H]2CO[C@H](C)C2)cc1B(O)O	2217184846	RMOSOHDGAYMQNV-RKDXNWHRSA-N	236.080	-0.341	50	10	BBGE	
CC[C@H](CN)CCOc1cc(B(O)O)ccn1	2217189346	BXUHYFRJHIWMGN-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@@H](CO)CCCN=c1cc(B(O)O)cc[nH]1	2217197239	YQZZEDQPCMGGMG-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
C[C@@H](COC(F)F)Nc1ncccc1B(O)O	2217198683	FCCSJKPPVKLIGI-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
CCN(C[C@H](C)C#N)c1ncccc1B(O)O	2217203964	CKWLGSDUIRDTJS-SECBINFHSA-N	233.080	-0.253	50	10	BBGE	
CC1(C)OCC[C@H]1Nc1cc(B(O)O)ccn1	2217205266	WULHSSRDUDTUEM-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(N[C@@H]2CN(C)C[C@H]2C)cc1B(O)O	2223646489	LGOKPDVZGKIKMV-MWLCHTKSSA-N	249.123	-0.568	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@@H]1C1CC1	2223665402	FYPQKLNHEDURFB-QWRGUYRKSA-N	248.091	-0.889	50	10	BBGE	
C=CCN1CCN(c2ncccc2B(O)O)CC1	2223665547	BTRSZSNGQGQEJV-UHFFFAOYSA-N	247.107	-0.931	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC3(CC3)CN2)c1	2223668273	VVKCOGBAELGVLN-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
CN1CCC(N(C)c2cc(B(O)O)ccn2)CC1	2223674726	MYBXDLFVPYLMSW-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
NC[C@@H](O)CCC(=O)N[C@H]1C[C@H](Cl)C1	2241655571	OJSUZZZECPFRKM-FXQIFTODSA-N	220.700	-0.028	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@@H](C)Cl)C[C@H]1O	2241860327	WQNBUQCSMSBDEW-UCROKIRRSA-N	207.657	-0.122	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCC12CC2	2243356464	IFBIFAXPKJLMRA-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
C[C@@H](NC(=O)c1csc(B(O)O)c1)C(F)F	2243357217	SYJMWZKKUIYZQJ-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
CC1=CCN(C(=O)c2ncsc2B(O)O)C1	2243359346	RHBNZTHUBNRPNS-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
COC[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CC1	2243364173	SGJJSYRSIKMADA-HTQZYQBOSA-N	227.069	-0.608	50	10	BBGE	
CN1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243364306	VAKQDOQFWBAOMU-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
O=C(Nc1ncncn1)[C@H]1C[C@H](B(O)O)C1	2243383156	UXVBUPKUCHYQLN-IZLXSQMJSA-N	222.013	-0.937	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1occc1B(O)O	2243397628	GBNWAZCBVZGQTL-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
C[C@](F)(C(=O)NCC=CB(O)O)C(F)(F)F	2243686275	KFAUWUPSWCAWHC-LURJTMIESA-N	242.965	-0.039	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@@H](C)CF	2244149759	POPUQZFYPWTBAM-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
COc1nn(C)cc1N1CC(=O)OC(=O)C1	2244589846	MWGSBSSDDCSZIL-UHFFFAOYSA-N	225.204	-0.682	50	10	BBGE	
C[C@@H](N)[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245912930	JMSYHZLSQQAKBN-PHDIDXHHSA-N	243.503	-0.438	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1cc(B(O)O)c[nH]1	2247744892	ZEZZAPSOBNHZRE-HTRCEHHLSA-N	240.043	-0.733	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2247747242	KTQVNHFUBNYIDE-IONNQARKSA-N	236.080	-0.387	50	10	BBGE	
O=C(Nc1ccncn1)c1ccsc1B(O)O	2247749415	TXDONSKUAUQREE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1C(=O)C1(B(O)O)CC1	2247754061	DHNRSICXQKHPEM-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)N1C	2247755065	GKOGFAIYFVDMTB-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@@H]21)C1(B(O)O)CCC1	2247755636	QKHPGLKHARSJQS-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
CC(C)[C@@H](N)CCNC(=O)C1(B(O)O)CCC1	2247757374	QGDFLYTWDFNPJZ-VIFPVBQESA-N	242.128	-0.127	50	10	BBGE	
O=C(NC[C@]12CCOC[C@H]1C2)C1(B(O)O)CC1	2247758702	WVQBWDTYKBACHT-PSASIEDQSA-N	239.080	-0.464	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)c(C)s1	2247787124	LDLUYJUCQVWLNK-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1CO	2247792798	UXNLSFRXFJXLFC-ZYUZMQFOSA-N	241.096	-0.674	50	10	BBGE	
CCc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)on1	2247796718	CAYJAXXAHYNRNE-IUCAKERBSA-N	238.052	-0.284	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@H]1C[C@H]1B(O)O	2247798558	VLFLVMJKPAOREM-DTWKUNHWSA-N	235.052	-0.702	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)C1CC(B(O)O)C1	2247799945	JUKWWCVDAIUGHT-RTBKNWGFSA-N	242.128	-0.175	50	10	BBGE	
O=C(NCC1[C@@H]2COC[C@@H]12)C1CC(B(O)O)C1	2247808977	WTPWSFXTMNAMRE-SZLYAYFLSA-N	239.080	-0.752	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)CCCC1(F)F	2247850766	SMVWDYKQSSDWFF-VIFPVBQESA-N	245.034	-0.057	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CC[C@H]1CN2	2247855680	WOOBWHIXVZTNQU-BMNUFHGDSA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247879693	XEPRHINSXCAYCS-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C[C@]1(O)CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247879763	VPNHNDXVZDIYPL-SCZZXKLOSA-N	241.096	-0.197	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](CO)CC1CC1	2247886374	BCPCITKMHNXCDF-OPRDCNLKSA-N	241.096	-0.531	50	10	BBGE	
CCO[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895101	OLGVXSCSBRNYTF-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247895228	QCRFWLDWSBEXCI-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
Cc1ncncc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247896392	YZMQTAIBNCJYCP-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
CN(C)C[C@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898669	GTVBGIHPLANSJC-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899914	RJSRXXVBVRJEPF-QXEWZRGKSA-N	241.096	-0.530	50	10	BBGE	
O=C(NCC1(F)CCOCC1)[C@@H]1C[C@H]1B(O)O	2247900022	SHDMXFZFGKHSRF-HTQZYQBOSA-N	245.059	-0.516	50	10	BBGE	
CC(C)N(C)C(=O)CN1CCC(B(O)O)CC1	2249379817	ZKEMEUYWSVPIAU-UHFFFAOYSA-N	242.128	-0.208	50	10	BBGE	
N#CC1=CCN(C(=O)c2ccc(B(O)O)o2)CC1	2255461205	DKPIBSZTJXMSTA-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
CCn1cc(NC(=O)c2ccoc2B(O)O)cn1	2255469544	QMAVQCABZRDWDJ-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C=CC1CCN(C(=O)c2occc2B(O)O)CC1	2255481705	KXSCFKIFVXGYFW-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2255488512	FQXOHWQAKJBSOE-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
CN(C(=O)c1ncncc1B(O)O)C1(C)CCC1	2255507436	ZHEGFYIGPPARAJ-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
O=C(NCc1ccccn1)c1cc(B(O)O)c[nH]1	2255671591	UCDPLULFESBFQZ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1cc(B(O)O)c[nH]1	2255671851	XOEZFNRTJZHARO-SFVIPPHHSA-N	248.091	-0.387	50	10	BBGE	
C#CCN(C(=O)c1cc(C)c(B(O)O)o1)C(C)C	2255684551	NEUPKWUVVDMFEV-UHFFFAOYSA-N	249.075	-0.248	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCn2nccc2C1	2255767524	DKZRLACHGWZVSL-KYZUINATSA-N	249.079	-0.522	50	10	BBGE	
O=C(NC1CC(c2ncc[nH]2)C1)[C@@H]1C[C@@H]1B(O)O	2255770116	OICLXVTYAXEHHK-YNTFGVKOSA-N	249.079	-0.365	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1nccc(C)c1B(O)O	2255783503	CZIUOWXYOFGCKA-VIFPVBQESA-N	246.075	-0.624	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1nccc(C)c1B(O)O	2255784220	CWCIFMSAGKQTAG-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1cocc1B(O)O	2258128915	RKPKAPWNNDZQNP-QPUJVOFHSA-N	249.075	-0.121	50	10	BBGE	
CN(Cc1ccnnc1)c1cc(B(O)O)ccn1	2261252016	KOLGEFAFBZGDEV-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C1(B(O)O)CCC1)C2	2298368000	HILCFYPAJYQPKX-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1B(O)O	2298369912	IQPZZXRFDYHZON-SVSWQMSJSA-N	238.096	-0.813	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376217	NJBGGXHVCFBDQL-LPZLMQDUSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	2301654103	NNRQMIPQCMKYKO-CAHLUQPWSA-N	244.056	-0.990	50	10	BBGE	
CCCNC(=O)[C@@H](C)N1CC[C@@](C)(B(O)O)C1	2303131851	CZAXOPRTKSYHRC-MWLCHTKSSA-N	242.128	-0.160	50	10	BBGE	
CC(=O)N(C)C1CN(CC(C)(C)C(=O)NN)C1	2307910081	WWUMABVWQLLGJY-UHFFFAOYSA-N	242.323	-0.835	50	10	BBGE	
CC(=O)N(C)C1CN([C@H](C)[C@H](C)C(=O)NN)C1	2307926333	YYELYBKCWCAAQQ-JGVFFNPUSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2C[C@H]1C[C@H]2O	2312614307	HIXBVLMBSVZZGG-MPKXCIJOSA-N	248.091	-0.667	50	10	BBGE	
O=Cc1ccc(NCC2(O)CCC2)cc1B(O)O	2317311034	JXBHRZNENQJJOU-UHFFFAOYSA-N	249.075	-0.494	50	10	BBGE	
N[C@H]1CC[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317312405	GQMZLFUXEVYWKN-UWVGGRQHSA-N	248.091	-0.529	50	10	BBGE	
C#C[C@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317349626	GJVBGOUVZSXUDW-JTQLQIEISA-N	243.071	-0.362	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)C(=O)N(C)C	42576100	GXDMTPYOEQCLHV-YFKPBYRVSA-N	235.671	-0.472	50	10	BBGE	
NCCC(=O)NNC(=O)c1cccc(F)c1	49819902	XDVAQGKRJTZAMC-UHFFFAOYSA-N	225.223	-0.065	50	10	BBGE	
CCCCN(CCO)C[C@@H](C)C(=O)NN	58838349	UNTPPZCHAMARLH-SECBINFHSA-N	217.313	-0.293	50	10	BBGE	
CC(C)(C)c1cc(C(=O)NN)nc(N)n1	66134144	JVYCUDWKJAJPOR-UHFFFAOYSA-N	209.253	-0.040	50	10	BBGE	
COC[C@@H](O)CNC(=O)[C@@H](C)CCl	70590174	PCLOMGUOCCPULB-BQBZGAKWSA-N	209.673	-0.015	50	10	BBGE	
O=C(CBr)NC[C@H]1CCC(=O)N1	70680444	VSXIUVZDRHZCGW-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
NNC(=O)c1cccn2ncc(C(=O)O)c12	74077446	YCRAOWBIWKTUHT-UHFFFAOYSA-N	220.188	-0.364	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@H](O)C1)c1ccccc1	80954543	CRSHVVAFSQDCCX-RYUDHWBXSA-N	249.314	-0.173	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)CCl)C1=O	84083742	XFBCZHUPXFNEBT-SCSAIBSYSA-N	204.613	-0.901	50	10	BBGE	
CSCC(=O)NNC(=O)c1cc[nH]n1	89994154	CCGHQDRWHBKLSL-UHFFFAOYSA-N	214.250	-0.466	50	10	BBGE	
CN(C)NC(=O)[C@@H]1Cc2nc[nH]c2CN1	147304210	QXCRMVREKZFUFN-ZETCQYMHSA-N	209.253	-0.983	50	10	BBGE	
CC(C)Cc1cc(C(=O)NNC(=O)CO)[nH]n1	180952172	DZRZHPCUSQCTAD-UHFFFAOYSA-N	240.263	-0.639	50	10	BBGE	
N[C@@]1(C(=O)O)CCC[C@@H]1CCCB(O)O	200585352	HBEGNHDSKKYWSU-APPZFPTMSA-N	215.058	-0.178	50	10	BBGE	
OB(O)c1cccc(-c2ccncc2)n1	202804748	WEJOMEUGRXMNMQ-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC)[C@@H](C)C1	216743576	VZXUBLKHXSKEDZ-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
N/C(=N/OC(=O)CCl)c1cncnc1	216766742	NWDKIISPZWKEHY-UHFFFAOYSA-N	214.612	-0.121	50	10	BBGE	
C[C@@H]1C(=O)N(C(N)=O)CCN1C(=O)Cl	217681218	FVVJDDDSJVTPRN-SCSAIBSYSA-N	219.628	-0.043	50	10	BBGE	
C[C@]1(O)CCCN(CCCC(=O)NN)CC1	230383934	DJMHNRSJSOFXRT-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
O=C(CBr)NCCCOCCO	230785586	ARQGQVQEQFOMLL-UHFFFAOYSA-N	240.097	-0.104	50	10	BBGE	
Cc1nn(-c2ccncc2)cc1B(O)O	238537110	XXUGNMZBNWLNKU-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
COC(=O)[C@H](Br)[C@@H](O)CO	238798435	DLLCDHNNUJXBRM-IUYQGCFVSA-N	213.027	-0.724	50	10	BBGE	
CN1CCC([C@H](N)CC(=O)N(C)N)CC1	258970930	DBKQAPCWJINGQG-SECBINFHSA-N	214.313	-0.622	50	10	BBGE	
CN1CCC[C@H]([C@@H](N)C(=O)NN(C)C)C1	259064964	MWZPGWPVLSPUOH-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)CCCCSCC(N)=O	300854062	TYUKONMPIZKHHT-UHFFFAOYSA-N	205.283	-0.635	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)[C@H](C)C1	306833008	PEZJSMHVFDYXSC-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
Nc1cc2c(B(O)O)cc(O)cc2s1	306897700	USDSOCMSVUSMJJ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[S@](=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	307292509	BPGRWOMVSWLPBS-MQNJHXBQSA-N	245.753	-0.336	50	10	BBGE	
C[C@@H]1O[C@H](OCCCl)[C@H](O)[C@H](O)[C@H]1O	307576817	NVKRALSJYXPFIY-TXXZRHAASA-N	226.656	-0.931	50	10	BBGE	
COC(=O)NNC(=O)c1cnn(C)c1N	308813117	DHTDAOMIQGMYSQ-UHFFFAOYSA-N	213.197	-0.997	50	10	BBGE	
CCN1CCCN([C@@H](C)C(=O)NN)[C@H](C)C1	320680078	KZJCZGIHLPMSLD-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CCOC(=O)/C(CS)=N/NC(N)=O	379339836	NCCIVQPIZCKFLJ-XBXARRHUSA-N	205.239	-0.496	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCn1cnnc1	381961102	YYQSRNTYWLFOFB-LURJTMIESA-N	245.670	-0.269	50	10	BBGE	
C[C@@H](CN)N(C)CC(=O)NNc1ccccn1	383022532	SARJCHLWWUCHMM-VIFPVBQESA-N	237.307	-0.196	50	10	BBGE	
C[C@H]1C(=O)NCCN1[C@@H](C(=O)NN)C(C)(C)C	395615891	PCEBPAGBSRXQNG-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@H](O)C1CCCC1	396443839	BUBGQHXEKMYBMT-CHWSQXEVSA-N	249.119	-0.083	50	10	BBGE	
COCCSCC(F)(F)C(=O)NN	685957864	JKIDOEQKNGJJFF-UHFFFAOYSA-N	214.237	-0.009	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@H](C)[C@@H](C)C(=O)NN	688141893	AUFINTGSWIQUIP-KYXWUPHJSA-N	229.324	-0.032	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](CO)C(C)(C)C	689782681	CKVPVLQHMNPKGW-DTWKUNHWSA-N	247.339	-0.670	50	10	BBGE	
COC1CN([C@@H](CC(C)C)C(=O)NN)C1	695078578	NREBVFWNNCBBIY-VIFPVBQESA-N	215.297	-0.278	50	10	BBGE	
CC[S@@](=O)N1CCc2cc(B(O)O)ccc21	712225623	CZDQMSJIOLUXHB-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
C[C@H]1N=C(CN)S[C]1C(=O)NN(C)C	725660420	CJDDTMBFQCEKEK-RXMQYKEDSA-N	215.302	-0.396	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1CCCS1	743333370	OYPUFBREFGYWIC-ZETCQYMHSA-N	231.321	-0.409	50	10	BBGE	
O=C(CCc1ccoc1)NNC(=O)c1cnn[nH]1	753301677	SLBMLIDQCBIVAB-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cn(C)nn1	809670454	MSMLIOXBZGSOMY-RITPCOANSA-N	223.236	-0.768	50	10	BBGE	
COCCC(C)=NNC(=O)[C@@H]1COCCO1	814861419	TXKSZUWRPILXHS-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
O=C(CO)NNC(=O)C1(C(F)F)CC1	844137102	MIYCDIULCHWNLL-UHFFFAOYSA-N	208.164	-0.829	50	10	BBGE	
CN1C[C@@H](C(=O)NCC(Cl)Cl)NC1=O	854452685	XQTOFMQHHKDEHN-BYPYZUCNSA-N	240.090	-0.070	50	10	BBGE	
COC[C@@H](OC)C(=O)NN=c1cc[nH]cc1C	862498853	BAUZBPTULHAETM-SNVBAGLBSA-N	239.275	-0.084	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H](C)c1ccnn1C	910145602	CFVIUAKNKUTRII-DTWKUNHWSA-N	240.307	-0.133	50	10	BBGE	
C[C@H]1CN(Cc2cscc2B(O)O)CCO1	1231947392	SEMHEMGVENDYRJ-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
NC(=O)CC(=O)NNc1ncncc1Cl	1255397250	ANJLTXDDAZFQIY-UHFFFAOYSA-N	229.627	-0.552	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1cccnc1	1457488407	VKIGVEWSWIXZPA-UHFFFAOYSA-N	233.227	-0.508	50	10	BBGE	
N#CSCCCNC(=O)C1(O)COC1	1467505523	BSAIQCGNHHCXOM-UHFFFAOYSA-N	216.262	-0.532	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ccncn1	1556681575	OFKVEFMAFNYUOJ-SSDOTTSWSA-N	226.236	-0.949	50	10	BBGE	
COC(=O)NNC(=O)c1cccc[n+]1[O-]	1558900066	XWALZLIBBGCOEV-UHFFFAOYSA-N	211.177	-0.679	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)c2cc[nH]n2)n1	1640344859	BVFBLXZSXIESKM-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H]2[C@@H]1CO	1883801680	OMUIWIHTWOAAKD-XVMARJQXSA-N	225.697	-0.175	50	10	BBGE	
CS(=O)(=O)N1CC[C@@H](CNC(=O)F)C1	1887186731	RBTUCFQAJGSTAQ-LURJTMIESA-N	224.257	-0.053	50	10	BBGE	
CN1C[C@@H](N(C)C(=O)NN)CCC1=O	1887641124	FCKQNUFXOCUTEY-LURJTMIESA-N	200.242	-0.878	50	10	BBGE	
C[C@H](CN1CC[C@H](B(O)O)C1)N(C)C	1891492420	OGRKYNFERPWLEI-BDAKNGLRSA-N	200.091	-0.515	50	10	BBGE	
O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@H]1Cl	1893454315	VUJWCFBCIDXGNU-BIIVOSGPSA-N	218.684	-0.282	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)Cc1nnn(C)n1	1894762851	ZZCQDYRWUXILAO-RXMQYKEDSA-N	217.660	-0.204	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1C=CCN1	1896460063	HBEXCCWYSKGWFR-ZETCQYMHSA-N	214.652	-0.048	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2COCC[C@@H]21	1896907299	MCJGPIJZNSVIQB-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@@H]2COC[C@H]12	1897219798	XIMDZHNGYFYKBK-BWZBUEFSSA-N	245.662	-0.162	50	10	BBGE	
CN1CC(COCCC(F)(F)C(=O)NN)C1	1899504339	BCIVZRMHMSHJRZ-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@H](C)C1)B(O)O	1901703206	OHHSISNOAOMFKU-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
COCC(COC)CN1CC[C@H](B(O)O)C1	1902505000	BZNJWWGLUWMANJ-JTQLQIEISA-N	231.101	-0.556	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2cccnn2)C1	1902515241	DKLYWOJQPMFOQG-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](CO)C1)C(=O)NN	1902712314	CQYDWBQJOFVQAF-KOLCDFICSA-N	229.324	-0.293	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1[C@@H](C)CC(=O)NN	1903341050	BADDNVXDCFKCPQ-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@H]2OCC[C@@H]2O1	1906143623	QWPNWNLMDRVBLV-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
N#CC[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1915019741	WNIVINSDTTVUQJ-BBBLOLIVSA-N	222.292	-0.152	50	10	BBGE	
CN[C@H]1COC[C@H]1C(=O)N1CC=C(C#N)CC1	1917052033	HVAQMTREWCDXIM-MNOVXSKESA-N	235.287	-0.097	50	10	BBGE	
C#CCNCC(=O)N1CC=C(C#N)CC1	1917098290	SFKHEBZPANOEQF-UHFFFAOYSA-N	203.245	-0.109	50	10	BBGE	
C[C@@H](CC#N)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927916173	NSWIRGRXRJBJKQ-XHNCKOQMSA-N	210.281	-0.154	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CSC2)C1	1928606634	TYFCSFFGOGTVEZ-YUMQZZPRSA-N	227.333	-0.339	50	10	BBGE	
C[C@H]1CCN(C(=O)CCl)[C@H]1C(N)=O	1928672817	VKFNLGDZNROOMR-CAHLUQPWSA-N	204.657	-0.053	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COC[C@@H]1CO	1928735175	IEQMHACCCXHNQK-NTSWFWBYSA-N	229.685	-0.891	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1CCl)c1cnn[nH]1	1928740628	HHURNUGOVANZPP-FSPLSTOPSA-N	230.655	-0.212	50	10	BBGE	
CC[C@@H]1COCCN([C@@H](C)C(=O)NN)C1	1933533828	UAKHEOVGYFSXOD-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]1C2	1936090121	GNWHYWKGYUNIQS-XSPKLOCKSA-N	223.276	-0.377	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936093167	BITGWTTWAUZWNF-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1SCCN(CCOCC(=O)NN)[C@@H]1C	1936533368	HMKFUQXWTVCCGU-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@]1(C)CO	1938797988	AEUISZTXEDRHTF-GZMMTYOYSA-N	229.324	-0.152	50	10	BBGE	
CCN(CCCN(C)C)C[C@@H]1C[C@@H]1C(=O)NN	1941084872	ADIRYHOCEUHWOB-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
Cc1nn(C)c(C)c1C=CC(=O)NNCCO	1944220501	QCYIQKDJWRTHJN-UHFFFAOYSA-N	238.291	-0.337	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1951321887	LDEQCRSQDLRFKG-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
N#C[C@H]1CCN(S(=O)(=O)N=C=O)C1	1954790897	JPBPCHJWWOQWFV-ZCFIWIBFSA-N	201.207	-0.588	50	10	BBGE	
C[C@H](CN(CCO)[C@H]1C[C@H]1C)C(=O)NN	1958270161	QLEREBXVCVVVCV-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
C[C@]1(CO)CC(F)(F)CN1CC(=O)NN	1958334368	CBLZNEGMZHOASJ-SSDOTTSWSA-N	223.223	-0.932	50	10	BBGE	
CCN(CC(=O)NN)CC1CCOCC1	1958420990	BQHVQFBGXQGZFZ-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@H](C#N)CN(C1CC1)[C@@H](C)C(=O)NN	1961233250	DKZWSSPJIXFECQ-SFYZADRCSA-N	210.281	-0.011	50	10	BBGE	
C[C@@H](CN1CCO[C@H](CF)C1)C(=O)NN	1961592900	QIWXDZPEPSQCJU-JGVFFNPUSA-N	219.260	-0.717	50	10	BBGE	
CC12COC(C(=O)N3CC[C@@H](B(O)O)C3)(C1)C2	1967586384	JSZBTEJOSSSIJY-MFAVDMRSSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cn(C)cn1	1976740744	YJYNLUUBDNISRG-VIFPVBQESA-N	225.296	-0.380	50	10	BBGE	
O=C(CCC1CC1)N[C@@H](CB(O)O)C(=O)O	1976996224	XDRUGKFIVIZSHW-ZETCQYMHSA-N	229.041	-0.781	50	10	BBGE	
CSC1CN(c2cc(C)c(B(O)O)cn2)C1	1981471314	ICEFRRJLIXRZFE-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2CF)c1B(O)O	1986085448	WKAUVRMALHKCQU-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
CN(C[C@@H]1CCN1C)C[C@@H]1C[C@@H]1C(=O)NN	1987091787	GVGLOFAGSIHLIP-GUBZILKMSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC2(CCCC2)O1	1988397483	SSMXDNWATVXDKF-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@](C)(C#N)C1	1990773924	BMGNQAMUGVRAOG-SNVBAGLBSA-N	224.264	-0.611	50	10	BBGE	
Cc1[nH]nc(C(=O)NCC=CB(O)O)c1C	1991331809	PUPWGLSTCCRLIU-UHFFFAOYSA-N	223.041	-0.675	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCC(=O)NC1=O	1991651173	GXFMWUYSDIYZRJ-RXMQYKEDSA-N	244.634	-0.771	50	10	BBGE	
C[C@@]1(CNC(=O)C=CC(=O)Cl)CNCCO1	1991653436	ZZVSLFZEJRLJOE-JTQLQIEISA-N	246.694	-0.197	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CNCC[C@H]1CO	1991716948	QIKMEWQUFJCYRE-PPYPBTKYSA-N	246.694	-0.605	50	10	BBGE	
OB(O)c1cccnc1N1O[C@H]2C=C[C@H]1C2	1992618310	BKCCHZWVSXNMJL-YUMQZZPRSA-N	218.021	-0.790	50	10	BBGE	
CP(C)(=O)COc1ncc(F)cc1B(O)O	1994800598	OCAIEEUHTBZKFA-UHFFFAOYSA-N	246.971	-0.141	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1995043444	XRCURDMTZORGSY-RGOKHQFPSA-N	249.738	-0.302	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(F)(CO)CC1	1995938117	SNFFCVFDQFHOKU-BDAKNGLRSA-N	245.298	-0.591	50	10	BBGE	
CC(C)(CN1CC[C@H](OCCO)C1)C(=O)NN	2001032765	ZWXBWFNYNPPKHI-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
C[C@@]1(CO)COCCN1CCCCC(=O)NN	2003265488	YIFGIGJFTGBFKM-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
CO[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2004918177	ILYKVLUOSOSQMO-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
C[C@H](COc1ncc(B(O)O)cn1)C1CCC1	2004924374	AUHSHSDJYDSMLC-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2COC[C@H]2C)n1	2004930831	XAAJCHBWRAWZTC-GMSGAONNSA-N	237.064	-0.516	50	10	BBGE	
CN(c1ncccc1B(O)O)C1[C@H]2CCC[C@H]12	2004936322	YAJAQURDTIIAQW-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
COC[C@@H](C)N(C)c1ncc(C)cc1B(O)O	2005017940	MIQQSMUSMOUPJT-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2005808174	OATODGRMMWPKDB-AZQAYCESSA-N	231.064	-0.999	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]([C@H](C)O)C1	2005913200	PFGFMDSOPKNCAK-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1CCOCC(=O)NN	2011349998	XSNBERNHAKJMCI-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
Cc1nc(OC[C@@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2011599738	WPMPIOWCCYAWTN-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@]1(O)CCOC1	2013284921	STRJNWLKGKYQHU-QXEWZRGKSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC[C@H]2O)CC1	2014133618	HEHAUQQLOLIXNS-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2CCCC[C@@H]21	2021156657	ASNBVMDVGXQRPU-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
COc1cc(B(O)O)cc(C#N)c1[N+](=O)[O-]	2060287652	UVEVCGBZWZCYTN-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@H]3COC[C@H]32)c1	2066310037	PQXFCHIEQCVDPP-WDEREUQCSA-N	248.286	-0.484	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1ccncc1B(O)O	2211059727	RGHUBAHSAQHMIU-XVKPBYJWSA-N	225.028	-0.112	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)[C@H](F)C1CCC1	2215254091	DBQIWIGOHNWFLY-RNFRBKRXSA-N	247.031	-0.833	50	10	BBGE	
CC(C)(O)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215775793	IYTHDCUUBJCPJC-SCZZXKLOSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)c1ccnn1C	2215777194	RBVMEIAYQYAJST-BDAKNGLRSA-N	237.307	-0.128	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CC1(C(=O)NN)CCC1	2216490344	CGBWRLMZAGINEG-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H]3C[C@H]32)[nH]c1	2217175198	FVVMXOXNOXLGFB-OYNCUSHFSA-N	233.080	-0.964	50	10	BBGE	
C=CC[C@H](CO)Nc1nccc(B(O)O)c1F	2217180798	KZKCNBNXRTYCPW-SSDOTTSWSA-N	240.043	-0.751	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNc1ncccc1B(O)O	2217201190	CPUOKFFLBJELHV-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
Cc1noc(CN(C)c2ccc(B(O)O)cn2)n1	2223632632	MKDHPJUJQQPPDG-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1ccc(N[C@H]2COC3(CCC3)C2)nc1	2223633308	VCMDCKJINXWRJS-SNVBAGLBSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3CC[C@H]2O3)c1	2223642290	HKMDWABJGOJULR-HBNTYKKESA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccnc(NCc2cncc(F)c2)c1	2223649374	XRIQUTLTTDJZNR-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
Cc1cnc(N[C@@]23CC[C@@H]2CNC3)cc1B(O)O	2223649652	BLNCKVYFBPFLAK-BXKDBHETSA-N	247.107	-0.766	50	10	BBGE	
OC[C@@H]1CCN(c2ccc(B(O)O)cn2)C12CC2	2223651050	ACTLQQSWUYYJPR-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@H](O)[C@H]2CC3)nc1	2223653132	OPOQMQAFLUKJDF-MXWKQRLJSA-N	248.091	-0.747	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNCC3(CC3)C2)c1	2223664934	ABQPNOQVTMEWEP-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
Cc1nc(CCNc2cc(B(O)O)ccn2)no1	2223669458	KEDSVGJOXMAPJK-UHFFFAOYSA-N	248.051	-0.893	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1c1ncccc1B(O)O	2223676227	YIPJMGCDZRPWSK-SECBINFHSA-N	249.123	-0.533	50	10	BBGE	
O=C(F)NC[C@@H]1COCC2(CNC2)O1	2241243107	PHKQBUWKRYZVSB-ZCFIWIBFSA-N	204.201	-0.577	50	10	BBGE	
O=S(=O)(O)c1ccc(B(O)O)cc1Cl	2241493628	OZKMSNKXXZVTMY-UHFFFAOYSA-N	236.441	-0.734	50	10	BBGE	
COC[C@H](S[C@H]1CC[C@@H]1O)C(=O)NN	2242387614	GUVGTSHTDZBMSN-ACZMJKKPSA-N	220.294	-0.752	50	10	BBGE	
O[C@@H]1CN=C(N[C@H]2C[C@H](Br)C2)NC1	2242410880	KLVFBICRHUCJDD-IZLXSQMJSA-N	248.124	-0.178	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)C#CB(O)O)CS1	2243349761	QBTDIYFTPARYAY-BDAKNGLRSA-N	241.121	-0.256	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)c(B(O)O)s2)C1	2243367794	YPZLOYCVRAKSBH-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)sn1	2243378690	XUNDTDPKFFVILD-IYSWYEEDSA-N	240.093	-0.697	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CN	2243382440	OHHSKRPURPVEDG-OCAPTIKFSA-N	228.101	-0.565	50	10	BBGE	
Cc1sc(C(=O)N[C@@H]2C[C@@H]2C)cc1B(O)O	2243383115	ULOMZCLRBZYCPP-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2CC1(CF)C2	2243392273	SOFOZUPBEDGXHK-CINMIUTLSA-N	227.044	-0.190	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCN1	2243396429	MATQHSPHBVGQDZ-LURQLKTLSA-N	226.085	-0.894	50	10	BBGE	
Cc1nc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)s[nH]1	2243396656	PFEUOSZXQRDSFO-IZLXSQMJSA-N	241.081	-0.540	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCC[C@H]21	2243400108	WAEFDJOEZROBQE-KXUCPTDWSA-N	221.065	-0.446	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CCO[C@H]2C1	2243404083	IZSPETJEWICDRK-KZVJFYERSA-N	225.053	-0.903	50	10	BBGE	
CC1(F)CN(C(=O)c2csc(B(O)O)c2)C1	2243407339	PZPPZDTZLUQFMH-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
CCN(CCF)C(=O)c1cscc1B(O)O	2243408675	RRSQWHZQKRHHQE-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1C(=O)C1(B(O)O)CC1	2243411049	MYEXRKJOJIHYFN-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
C=C(CS(=O)(=O)NCc1cc[nH]c1)B(O)O	2243419687	FBKFEXXXUWEITJ-UHFFFAOYSA-N	244.081	-0.998	50	10	BBGE	
CN(CCOC(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2243427441	VKTMTOMSAZUTKO-WDSKDSINSA-N	237.011	-0.453	50	10	BBGE	
C#CCC(C)(C)NS(=O)(=O)CC(=C)B(O)O	2243432849	FETVNYAUVRHHDH-UHFFFAOYSA-N	245.109	-0.724	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@H]1CC)B(O)O	2243434233	WDWGHTGYYOLFBA-SECBINFHSA-N	247.125	-0.241	50	10	BBGE	
C#CCC(=O)N(C)Cc1ccc(B(O)O)s1	2243685657	ZGYXQASZJLHSTP-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
CCn1ncc(CN2CCC(B(O)O)CC2)n1	2246338582	VJZLUNJTXPGLGG-UHFFFAOYSA-N	238.100	-0.263	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2247724385	YNGPHPGYHRYBAZ-SSDOTTSWSA-N	237.064	-0.038	50	10	BBGE	
O=C(C#CB(O)O)NC1(C(F)(F)F)CCCC1	2247741302	XLKXSZGKHPMHQL-UHFFFAOYSA-N	248.997	-0.007	50	10	BBGE	
CN(CC1CCC1)C(=O)c1cc(B(O)O)c[nH]1	2247746952	GTTRPVIXHUDUSW-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
N#Cc1cccnc1NC(=O)C1(B(O)O)CC1	2247758868	YDTNMBNHQUZKSV-UHFFFAOYSA-N	231.020	-0.101	50	10	BBGE	
CC1(C)COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787826	VMUIQEOKAGEDMD-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
COC(=O)CCCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247791637	NZZVRUAAWZITRR-SFYZADRCSA-N	243.068	-0.739	50	10	BBGE	
C=C[C@H](C)NC(=O)c1nccc(C)c1B(O)O	2247792369	UPYBCDCWHCKGER-QMMMGPOBSA-N	234.064	-0.626	50	10	BBGE	
O=C(Nc1noc(C2CC2)n1)[C@@H]1C[C@@H]1B(O)O	2247797765	MPMIGPOYLOIKEH-RITPCOANSA-N	237.024	-0.252	50	10	BBGE	
C=CC1(NC(=O)c2cc(C)c(B(O)O)o2)CC1	2247799558	FLUUFXQEXLPYFM-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCNC1	2247808452	VCRVHCZTEPQDNZ-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1B(O)O	2247810153	VFDVKJSGVJPYRA-UTINFBMNSA-N	238.096	-0.846	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCC[C@@H]2C1	2247847358	WEQPZCZPGHSAGJ-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2247850087	JQTMHRSRTQMLNP-QMSLJYSESA-N	234.064	-0.777	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(B(O)O)cc1F	2247854037	WIUWIXBVPVYTJE-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CCCN(O)C(=O)c1cccc(B(O)O)c1F	2247867802	MWGCOWCCFYKOFS-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCCCCF	2247868149	PXRWYRJSJPNAFY-UHFFFAOYSA-N	243.043	-0.253	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](CO)[C@@H]2C1)C1(B(O)O)CC1	2247872357	QXPZWMYLICOQAA-DJLDLDEBSA-N	239.080	-0.920	50	10	BBGE	
CN(C)C[C@H]1C=CCN1C(=O)C1(B(O)O)CC1	2247872831	ZDQCDDDNWZRWGZ-SECBINFHSA-N	238.096	-0.678	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247873798	MBFJUGJRDOGALA-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C(NCC1=CCCC1)c1occc1B(O)O	2247877792	DJFNDNLURDANHN-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2occc2B(O)O)[C@@H]1C	2247878389	OCHLFKNKBQYSRF-RNLVFQAGSA-N	237.064	-0.409	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H](C)CF)c1B(O)O	2247891045	DZMUBHHNVUPNGL-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2COC[C@H]21	2247892728	GWMPMNZKEDVXAO-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC1(CO)CCCC1)[C@H]1C[C@@H](B(O)O)C1	2247894652	JIPBGBIPLPFTJJ-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
CCn1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247894979	MWHXFLVGRLODQH-DTWKUNHWSA-N	237.068	-0.618	50	10	BBGE	
C=C=CCC(=O)NCc1ccccc1B(O)O	2248416533	UPSDSSDLMSOKQK-UHFFFAOYSA-N	231.060	-0.286	50	10	BBGE	
O=C(NCC=C(F)F)c1ccc(B(O)O)cn1	2248618158	ZYGJILPCILVDFH-UHFFFAOYSA-N	241.990	-0.728	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)C[C@H]1C	2249415797	IZXCMENGPKKHOG-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC2(COC2)C1	2249633647	AGHQWQNPRBMMML-RKDXNWHRSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)NCCC#CB(O)O	2250004008	FJXZGMHPMKTRGX-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@H]21)C1(B(O)O)CC1	2251689644	ICNABPKGRSYIEC-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C=C[C@H]1C2	2255457909	KKWONFAMBMULPJ-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
CCNCc1ccc(NC(=O)C#CB(O)O)cc1	2255669654	RPLUWSSXUQCTCW-UHFFFAOYSA-N	246.075	-0.250	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCC2(CC2)C1	2255672738	LJUOZZUNITZKPY-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(C)cc1B(O)O	2255736654	RIFJCFRYOFKRCS-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377619	YAPLUJFLOOMCFC-IMSYWVGJSA-N	241.096	-0.533	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@H](C(=O)NN)O2)C1	2299041112	WQTYMIMUHQBKMD-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](CO)CNc1ccc(B(O)O)cc1C#N	2301338979	OKUVPNVUIVRJBC-QMMMGPOBSA-N	234.064	-0.722	50	10	BBGE	
CN(CC1(O)CC1)CC1(C(=O)NN)CCCC1	2301919697	SATNFGAEVHNTPH-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CCC[C@H](C)NC(=O)CN1CC[C@H](B(O)O)C1	2303099653	QGRWVANENVUTDU-UWVGGRQHSA-N	242.128	-0.160	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2304297579	HTPJKEFILXMFNA-DOLQZWNJSA-N	241.096	-0.533	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3O)c1	2312614319	HVWYMHANYDLYDE-UUTMEEIUSA-N	248.091	-0.667	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2313082289	AZHBMGAGIQMISL-UGYAYLCHSA-N	247.059	-0.560	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCN[C@@H]3C[C@H]23)CC1	2320833553	VVAFBLVGDMGXKZ-HBNTYKKESA-N	249.314	-0.139	50	10	BBGE	
NC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	6293277	ODECUMYAQINPTO-QWWZWVQMSA-N	228.726	-0.776	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](N)C(C)C	49812291	DUNOJCGKWKPBES-SSDOTTSWSA-N	201.270	-0.227	50	10	BBGE	
CNCCN(C)[C@H](C(=O)NN)c1ccccc1	70303780	VCTJPXSDBBUJAF-NSHDSACASA-N	236.319	-0.131	50	10	BBGE	
Cn1nc2c(c(C(=O)NN)c1=O)CCCC2	77067394	HSIJMQCCTJKJJW-UHFFFAOYSA-N	222.248	-0.737	50	10	BBGE	
CCCn1c(S[C@@H](C)C(=O)NN)n[nH]c1=O	82472645	WYBWNOAVAOFXBN-YFKPBYRVSA-N	245.308	-0.548	50	10	BBGE	
C[C@@H]1CCN2C(=O)C(C(=O)O)=CNC2=C1C=O	105637432	BEIVNILQEHQWDK-ZCFIWIBFSA-N	236.227	-0.163	50	10	BBGE	
COCCCNC(=O)NNC(=O)C(F)(F)F	170835215	VKTSHHIGUTZVOV-UHFFFAOYSA-N	243.185	-0.084	50	10	BBGE	
NNC(=O)c1sccc1CN1CC[C@@H](N)C1	203478094	ZBFUABKJFLZISI-MRVPVSSYSA-N	240.332	-0.115	50	10	BBGE	
O=C1NC(=O)[C@@H](CCl)[C@@H](C(=O)O)N1	211556545	WOCHDYNCASINRC-HRFVKAFMSA-N	206.585	-0.866	50	10	BBGE	
N#C/C(=C/NC1CC1)C(=O)N1CCNCC1	216968965	ATMWYEPTYKXDGG-HJWRWDBZSA-N	220.276	-0.422	50	10	BBGE	
C[C@@H]1CN(C(=O)CCl)C[C@@H](CO)O1	229951459	RKVZJQYAMSPCMS-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
CNC(=O)C(C)(C)CNC(=O)NC(=O)CCl	230407348	AXWBBKMQCNLECI-UHFFFAOYSA-N	249.698	-0.177	50	10	BBGE	
CC#Cc1c(B(O)O)cnnc1Br	238051570	ZSHXWNIUJFRDFK-UHFFFAOYSA-N	240.853	-0.710	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@H](N)C[C@H]2C1	238598243	JQFMQNISVXCKKX-PHDIDXHHSA-N	207.189	-0.819	50	10	BBGE	
COC(=O)N[C@@H]1CCN([C@H](C)CC(=O)NN)C1	252798425	ODMDATLKJMMREY-HTQZYQBOSA-N	244.295	-0.815	50	10	BBGE	
O=C1NC(=O)[C@]2(CC[C@H](CCCB(O)O)C2)N1	255965371	BSAXZFNLOLNTPG-OIBJUYFYSA-N	240.068	-0.382	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)c1c[nH]nn1	306499044	HLSNAUNLJQNQQM-UJURSFKZSA-N	216.628	-0.459	50	10	BBGE	
N[C@@H]1[C@H](Cl)C(=O)N[C@H](F)[C@@H]1Cl	307213532	XYRQWFMYIQVOTP-HTVIOJJOSA-N	201.028	-0.046	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C)[C@@H](C)C(=O)NN	309258126	AVGFBCZQLSTDJN-HTQZYQBOSA-N	230.312	-0.802	50	10	BBGE	
N#Cc1ccc(=O)n(CCCC(=O)NN)c1	309310444	NZJWCRSMECQHNG-UHFFFAOYSA-N	220.232	-0.510	50	10	BBGE	
COc1cnn(Cc2ccc(B(O)O)cc2)c1	379710867	BAJSUPMBHXLDBU-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1CCO	382357383	JZSPBUNATMKUFQ-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCCCO	384820775	MPNJEHNZLRHGHG-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CC(=O)OCC(=O)/C=C\C=NNC(N)=O	394747436	OCAIDBVIDKPYRS-KHVDWNDMSA-N	213.193	-0.671	50	10	BBGE	
N#Cc1c(B(O)O)ccc2sc(CO)cc12	396221650	MOJXPMLQWZOFEQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Cc1ccc(B(O)O)c(NS(C)(=O)=O)c1	404841321	JRRIIQWSHHHCJJ-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
OB(O)c1cnc2c(C3CC3)cnn2c1	687828143	JRQBUECCTPSNLJ-UHFFFAOYSA-N	203.010	-0.714	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2ccnn2)CC1	692106383	FSHALIPIHKYVKR-UHFFFAOYSA-N	235.247	-0.845	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C(=O)CCCl	698213180	KHLKHROSPBXGRW-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
NC(=O)NNC(=O)CCNC(=O)c1ccoc1	700840376	CMHSEIPMFLTFOQ-UHFFFAOYSA-N	240.219	-0.901	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cn2)cc1C#N	701874516	MWQSFVHWJRIFCW-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
CC[C@H](Oc1ccccc1)C(=O)NCB(O)O	702030462	NQIAFGPEEMHYMH-JTQLQIEISA-N	237.064	-0.028	50	10	BBGE	
CNNC(=O)c1nc2nccc(C)n2n1	704608756	QHUPXDOKIWGPRY-UHFFFAOYSA-N	206.209	-0.703	50	10	BBGE	
CCOC[C@H]1CN(CCCC(=O)NN)CCO1	705875421	HLWAISHZFBBFSQ-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@@H](C)C(=O)O	707972185	KVNDUPKIENUTPE-LURJTMIESA-N	203.242	-0.032	50	10	BBGE	
Cn1nnnc1CN[C@H]1COCC[C@H]1Cl	710853765	ATSGDNKHIVRNGE-RQJHMYQMSA-N	231.687	-0.304	50	10	BBGE	
NNC(=O)c1cn(CCOCC2CCC2)nn1	719778489	BHIQRGJIWZTJIX-UHFFFAOYSA-N	239.279	-0.302	50	10	BBGE	
CN1CCC[C@H]2[C@@H]1CCN2CCCC(=O)NN	720445747	MNBMUBVOGBNAQQ-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](NC(=O)NNC(=O)CO)C(F)(F)F	824387830	HROVSFMFPGIJQV-GSVOUGTGSA-N	229.158	-0.740	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C\c1ccncn1	910153585	CKOODDRPLUTRQP-TYRPZCRBSA-N	236.275	-0.166	50	10	BBGE	
CO[C@H](C(=O)NN(C)C(N)=O)[C@@H]1CCOC1	1118753164	UIFPBOUSVTWLNV-RQJHMYQMSA-N	231.252	-0.920	50	10	BBGE	
O=C(CCF)NNC(=O)CN1CCCC1=O	1332273175	GCWVUAACXFYZLK-UHFFFAOYSA-N	231.227	-0.884	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1	1627568637	MTKZUCYUPJSKHD-HTRCEHHLSA-N	233.231	-0.741	50	10	BBGE	
NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1Br	1877336471	MPHMASQJBVYSLS-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
CNNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	1880030277	KOYBDZAMRDHIBZ-RQJHMYQMSA-N	247.295	-0.489	50	10	BBGE	
NC(=O)NNC(=O)NOCC=CCl	1881664687	FRKGXMZCGBDEJY-UHFFFAOYSA-N	208.605	-0.447	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@@H]1CN	1882782204	OBUCDNSFZMDYQP-RNJXMRFFSA-N	203.673	-0.489	50	10	BBGE	
O=C(F)NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12	1882787651	NPLSOVVDRWBTMX-STNDOWJSSA-N	207.226	-0.044	50	10	BBGE	
CN(C(=O)NN)[C@@H](CCO)C(F)(F)F	1885135638	SPJFKQPXDOJGGS-BYPYZUCNSA-N	215.175	-0.185	50	10	BBGE	
C[C@H](NC(=O)F)c1nscc1B(O)O	1887173770	QKOLHDWVJVBWAA-VKHMYHEASA-N	218.018	-0.437	50	10	BBGE	
Cn1nc(Br)nc1C=NNC(N)=O	1893836287	FPKHUYZEILOMPP-UHFFFAOYSA-N	247.056	-0.420	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2C=C[C@H]1C2	1893860132	IGCQFMLLHLWELG-FXQIFTODSA-N	209.249	-0.458	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccc(O)cc1=O	1893866782	ZGBYCCRVKZHZIS-ZCFIWIBFSA-N	211.221	-0.505	50	10	BBGE	
O=C(C[C@@H]1CNC[C@H]1O)NC1CC(Cl)C1	1893912937	JHURADIMUYCVFL-MDVIFZSFSA-N	232.711	-0.157	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	1898609719	XCKUVPPVOYDWML-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
CS[C@@H]1CN(C(=O)C#CB(O)O)C(C)(C)C1	1899484229	ZLRXCQAWWKEQLB-QMMMGPOBSA-N	241.121	-0.256	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@H](N)C1)S(C)(=O)=O	1901339693	RODOKJKNYHVTPS-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
C[C@@]1(CN2CC[C@H](B(O)O)C2)COCCO1	1902541750	ROQNSWOJXYURRJ-VHSXEESVSA-N	229.085	-0.659	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1906309528	OBPKAWUYTWRYAI-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2(CC(O)C2)C1	1907224676	QPICLGHANAZEBI-GWFPEYJASA-N	239.319	-0.541	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@@H]3C2)nc1	1908991332	CRJNIDBFNQPSMJ-DTWKUNHWSA-N	233.080	-0.607	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	1910488577	BTRWRSBXBRJDGH-LDYMZIIASA-N	233.076	-0.105	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1910789700	FIHHCBTZGWHZJN-UWVGGRQHSA-N	235.092	-0.180	50	10	BBGE	
CCN(C)C(=O)Nc1ncccc1B(O)O	1913669135	OMMHYNLDWDCSLP-UHFFFAOYSA-N	223.041	-0.755	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914015943	ANMFYQVQCLYLRD-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
COCC1CN(Cc2occc2C(=O)NN)C1	1916280974	FVFXBEGPIDCYAR-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]2C1	1927914475	UZFIDIVEAZPQQV-UTINFBMNSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCOC1CC1	1927915762	KQDOUFYMTBGBSA-IONNQARKSA-N	214.265	-0.192	50	10	BBGE	
NNC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@H]2C1	1928035294	RTFMFPVLPLFOEX-NKWVEPMBSA-N	233.293	-0.921	50	10	BBGE	
C[C@@H](Br)C(=O)NCCn1cnnn1	1928857021	KMTGHWCCCMEINK-RXMQYKEDSA-N	248.084	-0.427	50	10	BBGE	
CCN(CCCC(=O)NN)C1CN(C)C1	1929070026	DCUHFPAMHPDXRL-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)CN1CC2(CCC2)C[C@@H]1CO	1931520329	JWOPKHBSZNMZHQ-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CC1(F)F	1933032627	PFFATDHIUAFSCU-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
Cn1ncc([C@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934429113	XBIZJAVBWSWOEA-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@H](C)C(=O)NN)C1	1934917736	NBDBCYDBWJIGHQ-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@@]1(CO)C2)C(=O)NN	1936765382	GLOKDBZWFABZGX-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C[C@H]1C[C@H]1C(=O)NN	1941085268	CDRCKSVGJYOZLJ-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H](C)N1C	1941784293	MRQUCAGWGWAKSG-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
N#CC1(O)CCN(CC[C@H]2CNCCO2)CC1	1942975517	BEOYPRQFGKKFSF-NSHDSACASA-N	239.319	-0.285	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)CCOCC(=O)NN	1947073350	WVDVPEZROCODKJ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
COCCC1(C(=O)NNC(N)=S)CC1	1955203374	FSOBTMKPHGMRLL-UHFFFAOYSA-N	217.294	-0.333	50	10	BBGE	
CN=c1nc(C)c(C(=O)NN(C)C)c[nH]1	1961177681	GTNJFDDQWUQFOK-UHFFFAOYSA-N	209.253	-0.545	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@]12CC2(F)F	1961597037	NIAZJPNGPPATPP-CLZZGJSISA-N	219.191	-0.862	50	10	BBGE	
CCON(CC)c1ccncc1B(O)O	1961676801	IKWBSWZVAHLUEK-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
C[C@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	1975100156	AFBRIORFLZVXES-JGVFFNPUSA-N	207.038	-0.816	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCc2nccn2C1	1976546869	NOBNYHIWDCPEGT-LURJTMIESA-N	223.236	-0.855	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2CC[C@@H]2O)[nH]1	1977162026	QHILAPNRACKYDD-WDSKDSINSA-N	243.698	-0.577	50	10	BBGE	
N#CC1(CS(=O)(=O)NCB(O)O)CCCC1	1979332461	DICCLMGCWOFEGD-UHFFFAOYSA-N	246.097	-0.998	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1ncncc1B(O)O	1981408417	AHCZLCLLEBJUNI-IONNQARKSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1C1CC1	1981411106	HIYFTHQDNDDVBI-VIFPVBQESA-N	219.053	-0.855	50	10	BBGE	
CC1CCN(c2ccncc2B(O)O)CC1	1981424917	AFFVDHGRZKHPNS-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CCN(c1nc(C)ncc1B(O)O)C(C)C	1981468667	GPRCHPMAFFLPOC-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1CCC1	1982862761	KAYGSVQFFXRFCQ-UHFFFAOYSA-N	218.025	-0.769	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CCC[C@H]2C1	1990773975	CGTREXUNIDWWSA-UWVGGRQHSA-N	225.292	-0.114	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]1C(F)(F)F	1991338125	QAQNJZSKFXUELI-NTSWFWBYSA-N	236.986	-0.131	50	10	BBGE	
N=C(NO)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1Cl	1991694534	UNTKQDXYKZAJAL-QYNIQEEDSA-N	247.682	-0.203	50	10	BBGE	
CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)/C=C/C(=O)Cl	1991713021	NTCNJQMNWLQZPK-IKMKVABBSA-N	246.694	-0.071	50	10	BBGE	
COC1CC(CO)(NC(=O)C=CC(=O)Cl)C1	1992274825	RJLGHZGZMUPHPB-UHFFFAOYSA-N	247.678	-0.036	50	10	BBGE	
C[C@@H](N)CSCC12CC(C(=O)NN)(CO1)C2	1993884666	WTCGHGXGKCNPQF-CUUXFQNZSA-N	245.348	-0.394	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)C[C@H](C)C1	1997245103	NMMFIHJVNISISH-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CO[C@H](C)C2)n1	2004928719	FTASWNSMXXYPAQ-BDAKNGLRSA-N	237.064	-0.374	50	10	BBGE	
OB(O)c1ccc(OCCOC2CCC2)nc1	2004952987	UWYIVWPUHDPOND-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
Cc1cc(C)n(-c2ccc(B(O)O)c(C)n2)n1	2005009877	UCRRWFBFGNKWPR-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC23CC3)n1	2005014419	LJVYWNAVPYXVNM-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	2018855479	GTMAIPCZQOKGPC-FOGDFJRCSA-N	239.319	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCOC[C@@H]1C	2019208686	HDNVVLFOQVOUTA-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1[C@@H]2COC[C@H]1C2	2021410159	XEVZKIXZECRIJR-AOOOYVTPSA-N	234.064	-0.953	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2CC2CC2)n1	2052623528	KOJUGIHPGWBCQW-JTQLQIEISA-N	247.107	-0.156	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1ncccc1F	2058161385	URFQWCIQFAPCDB-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
OB(O)c1ccc(NCc2ccco2)nc1	2212601666	RGNAGQYBTLGNCF-UHFFFAOYSA-N	218.021	-0.034	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1C[C@@H]2C[C@@H]2C1	2216539630	HPZIXJUBAKMROW-DOFRTFSJSA-N	232.092	-0.004	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(CC(F)(F)C(=O)NN)C2	2216676344	FSLCRTPZGMQJNN-IONNQARKSA-N	249.261	-0.278	50	10	BBGE	
OB(O)c1ccc(NC[C@]23COC[C@@H]2C3)nc1	2217171532	BNZOHBSZTGPNPY-GZMMTYOYSA-N	234.064	-0.790	50	10	BBGE	
COCCCN(C)c1nccc(B(O)O)c1F	2217184943	SMOXUNOPCVFQJN-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
C[C@@H](CCOc1cc(B(O)O)ccn1)N(C)C	2217193905	PHTXYJIFQCKWFK-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H](O)CC12CCCCC2	2217484511	UEKHQEMWAHPCIZ-QMMMGPOBSA-N	241.291	-0.728	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2CC[C@H]1O2	2223632579	LQOSILWZMJFBBT-IQJOONFLSA-N	248.091	-0.259	50	10	BBGE	
C#Cc1c(Nc2ccc(B(O)O)cn2)cnn1C	2223641074	PMWDLMOSCWPJEZ-UHFFFAOYSA-N	242.047	-0.780	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](O)CC3(CC3)C2)c1	2223649799	DFOIFDFQBNJWJD-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
C#CC[C@](C)(CO)CNc1ncccc1B(O)O	2223665144	CSQOXLNXTRDQOK-LBPRGKRZSA-N	248.091	-0.805	50	10	BBGE	
CN1C[C@@H](Nc2cc(B(O)O)ccn2)C(C)(C)C1	2223677891	URACAFSNHHCAOS-SNVBAGLBSA-N	249.123	-0.487	50	10	BBGE	
CCn1c(O)cc(=O)n(C[C@@H](O)CCl)c1=O	2243056511	HQRVYBODOKGXKX-LURJTMIESA-N	248.666	-0.665	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1cscc1B(O)O	2243347786	PSMZHNGIXDBMOM-LURJTMIESA-N	247.031	-0.435	50	10	BBGE	
CC(C)CONC(=O)c1ccc(B(O)O)o1	2243349255	INSZWTLVDHEPFL-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccsc1B(O)O	2243358416	GULLQAOPZKZWBQ-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccsc1B(O)O	2243360001	ZNVGYURZCDFUJA-CAHLUQPWSA-N	243.068	-0.484	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)ccc1C	2243374807	KHWWVJFQQJSOSC-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@@H](F)C1	2243378520	UZPMLLNLECSTDP-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)sn2)C1	2243378678	XPXUJINLOJPPPN-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243392915	XSZVMLSTDKRNCI-QXFUBDJGSA-N	222.053	-0.389	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)[C@H]1C[C@@H]1B(O)O	2243396296	KKSGVOJULCOMMX-CIUDSAMLSA-N	227.069	-0.608	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2243401884	YOWGCNXMAHZRSN-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)N1	2243408982	YQTUOJCQPHNZPB-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@H](F)C1	2243413023	YAWWHTWUCFWYHX-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
CC(C)=CC(=O)Nc1cccc(B(O)O)n1	2243667083	DMLHXZWBVVJURK-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C=CCCN(C)C(=O)c1cocc1B(O)O	2244205116	GAUKTYNWIICDAX-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@H]21)N1CCC(B(O)O)CC1	2246338151	OHBUTLCKNAWYEU-IVZWLZJFSA-N	239.080	-0.513	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@@]12CCCO2	2247742468	PBVKHEQAQDCRGV-ONGXEEELSA-N	237.064	-0.828	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2F)c(B(O)O)c1	2247752231	LJYKUOAMPRWAIK-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)C1(B(O)O)CC1	2247753102	BOBYPTJMQPPOSX-BDAKNGLRSA-N	240.112	-0.456	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NOCCF)c1	2247760378	HGSFRNKJSARCKX-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247797718	MJDQCPCVOVTUBK-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1C[C@H]1B(O)O	2247805657	KNONLKBGVBFAKH-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
CN(CCN1CCCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247806432	NCVGDCCSKZBALW-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247807011	GXYVBOHDEJFFQP-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
N[C@@H]1CC12CC(NC(=O)C1CC(B(O)O)C1)C2	2247854682	HBLDPVUMLKPRFQ-AMAYZAIJSA-N	238.096	-0.765	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1N	2247854785	IJRZKMWHENKEBS-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247859532	NMZCJLHTIHWVBO-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
CC/C=C\CNC(=O)c1ncccc1B(O)O	2247866375	LFHQZTVGLKTODN-ARJAWSKDSA-N	234.064	-0.543	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1coc(B(O)O)c1	2247871022	UXPDTSQPIRQNED-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CCCCN(O)C(=O)c1ccncc1B(O)O	2247871309	ZGLHJLQCFNGVNA-UHFFFAOYSA-N	238.052	-0.607	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCNC1	2247910686	RCFMXTIPUJIEDQ-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2253136820	DRUMIJPJQRQSHE-RULNZFCNSA-N	243.068	-0.535	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2255454371	OTPFEHGIFKATCG-GXSJLCMTSA-N	248.091	-0.464	50	10	BBGE	
O=C(C#CB(O)O)N1CCCCC2(CCC2)C1=O	2255460416	SZLFGGJCJJRTIG-UHFFFAOYSA-N	249.075	-0.289	50	10	BBGE	
O=C(NCCc1ncccn1)[C@H]1C[C@H](B(O)O)C1	2255563052	BPGLJJJOFOIORQ-KYZUINATSA-N	249.079	-0.612	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2255680829	UCJJVHLHVIXIIS-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@H]2C[C@@H]2C1	2255714786	WECPGJQOSPISLN-DTWKUNHWSA-N	246.075	-0.757	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2255731941	NQZLNHHGMJKJKZ-ZXEGLVKPSA-N	247.103	-0.038	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)ccc1C	2255735031	LQHYFJWYQOSQRC-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2CC[C@H]2C1	2255736878	VGHRYQBDGUSYLW-IUCAKERBSA-N	248.091	-0.813	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cc(B(O)O)cn1C1CC1	2255739658	NSNILFADSXXZCY-QMMMGPOBSA-N	248.091	-0.263	50	10	BBGE	
C#CCCC(=O)Nc1cc(B(O)O)ccc1OC	2256597926	KOQNCRUFXDEXGS-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
CC#CC(=O)N1CCCc2ccc(B(O)O)cc21	2256634992	FAPASCRJHRQCJQ-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CCn1cc(NC(=O)c2cocc2B(O)O)cn1	2258134131	UMTSFCFUTKZZRU-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)[C@@H]2CNC[C@H]1C2	2258354831	AEIOPTAYBCTUPC-GDGBQDQQSA-N	248.091	-0.862	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1CO	2298164839	KTQDOEKNYZWVNM-XWLWVQCSSA-N	241.335	-0.437	50	10	BBGE	
CC(C)[C@@]12CC[C@H](NC(=O)C#CB(O)O)[C@@H]1C2	2298367640	OKIHYOUKMFKPLR-NHCYSSNCSA-N	235.092	-0.057	50	10	BBGE	
O=C(NC[C@H]1CCNC12CC2)[C@H]1C[C@H]1B(O)O	2298369174	LQXUUSUGUTYXOL-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298369315	QJGXRJIIWUYDSM-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC2(CCO2)C1	2300394464	VCJRVUBWLSDBFV-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
Cc1noc(CCCN2CC[C@H](B(O)O)C2)n1	2303107489	YESCLPANLWGCCX-VIFPVBQESA-N	239.084	-0.141	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H]1COC[C@@H]1O)C(=O)NN	2303413398	JKCUSIBXTRFVSO-WCABBAIRSA-N	245.323	-0.916	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2304297581	HTPJKEFILXMFNA-JXUBOQSCSA-N	241.096	-0.533	50	10	BBGE	
COCC(=O)Nc1ccc(C)c(B(O)O)c1F	2307568939	CGIZJCBLOFZCEQ-UHFFFAOYSA-N	241.027	-0.601	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@@H]3C[C@H]2CO3)nc1	2312740165	URFCDAGXDYAGIS-JMJZKYOTSA-N	248.091	-0.259	50	10	BBGE	
C#C[C@H]1N(C(=O)c2ccc(B(O)O)o2)CC1(C)C	2314526571	WDJJBEWLKKXOFT-SECBINFHSA-N	247.059	-0.557	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H]1CN	2317164051	UZICJCKJNUWOHX-KCJUWKMLSA-N	245.091	-0.613	50	10	BBGE	
NNC(=O)C(=O)NCc1cccc(Cl)c1	53160804	KZYNZAHJESNSIV-UHFFFAOYSA-N	227.651	-0.054	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(=O)NC(=O)[C@@H]1C	85087033	CSBNNUZXMBODCU-RITPCOANSA-N	232.667	-0.265	50	10	BBGE	
C[C@H](CN1CCC(CC(N)=O)CC1)C(=O)NN	104120171	LKRHCUFSVAZKHC-MRVPVSSYSA-N	242.323	-0.800	50	10	BBGE	
Cc1[nH]c(=O)sc1S(=O)(=O)N=C=O	157733076	CTCZYWGGXZNLDY-UHFFFAOYSA-N	220.231	-0.231	50	10	BBGE	
COCC(=O)NCCNC(=O)OCCCl	169919309	UKVHMXHLGPLUDM-UHFFFAOYSA-N	238.671	-0.286	50	10	BBGE	
OB(O)c1ccccc1Cn1cncn1	203176334	IJUFWCMGDRVPTQ-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
COC(=O)N1CC[C@H](CC(=O)NN)C1	214297013	GOOPPODIHCNJQM-ZCFIWIBFSA-N	201.226	-0.545	50	10	BBGE	
O=C(C[C@H](O)CCl)N1CCOCC1	221205718	SHQBTJOAIBTGQY-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
COC[C@H](OC[C@H]1CCCCO1)C(=O)NN	232417510	GQCBOOSMERLADX-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CC[C@@H](C)[C@@H](N)C(=O)N(CC)CB(O)O	238267720	IBTVIBUTSRESOI-HTQZYQBOSA-N	216.090	-0.780	50	10	BBGE	
OB(O)c1c(O)ccnc1C(F)(F)F	238614130	NXYTULSKVKNTBR-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CN1CC[C@@H](NC(=O)CN(C)C(=O)CCl)C1	258686766	JGXQCQSYDMMWCB-MRVPVSSYSA-N	247.726	-0.496	50	10	BBGE	
CO[C@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1OC	300046146	QUMOXHVHMDTAIT-QCLAVDOMSA-N	245.323	-0.654	50	10	BBGE	
Nc1c(O)cc2sccc2c1B(O)O	307102248	BRVWSESERHWMPZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCC[C@H](C)NCC(=O)NNC(C)=O	308621552	UECZUDFRPHAXKR-ZETCQYMHSA-N	201.270	-0.068	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN2CC[C@H]1C2	381793874	OASPOGYMMFCPMT-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NN)[C@@H]1[C@H]3C2	394367437	UIFBFXOUOSNARI-KVEIKIFDSA-N	211.265	-0.075	50	10	BBGE	
OB(O)c1cnn(CCO[C@@H]2CCCCO2)c1	394763829	YNCRHBBZOGMOAU-SNVBAGLBSA-N	240.068	-0.894	50	10	BBGE	
CC(C)(CCN1CCCS1(=O)=O)C(=O)NN	395953367	HCFCJKCNDKCHJX-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
COC(=O)Cc1nc2ccc(B(O)O)cc2o1	396116566	DERPSXDLPKWACA-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
O=Cc1cc2scc(B(O)O)c2cc1CO	396336006	LSPIJULLNOMNSO-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@H](O)C1CCC1	396437218	AAKPGZULPHOXIW-NWDGAFQWSA-N	235.092	-0.473	50	10	BBGE	
CC(C)[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1F	396466713	XDJLPCZOXPNLBM-GHMZBOCLSA-N	241.071	-0.478	50	10	BBGE	
COC[C@H](OCCOCC1CCC1)C(=O)NN	400770890	XEYJLCCJDPSKMQ-JTQLQIEISA-N	246.307	-0.175	50	10	BBGE	
NNC(=O)CCN1CCN(CCCF)CC1	402644833	ANVVYDQGKPYSBY-UHFFFAOYSA-N	232.303	-0.656	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)[C@H](C)CC(=O)NN	688142902	FCSVCGNQRPFGIC-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CN(C)[C@@H]1COC[C@@H]1C)C(=O)NN	688147512	RPYUVZKYMDIVDE-HRDYMLBCSA-N	215.297	-0.421	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NCc1cccc(B(O)O)c1	690064604	BXVDJMHZNUBEDA-GHMZBOCLSA-N	249.075	-0.983	50	10	BBGE	
CO[C@@H](C)Cn1nc(C)c(B(O)O)c1C	694307311	GSQMMIYORCSRLY-LURJTMIESA-N	212.058	-0.785	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)cn2)O1	694562380	AEVBQEAMMWXHCD-APPZFPTMSA-N	210.042	-0.870	50	10	BBGE	
NC(=S)NNC(=O)/C=C\c1cccnc1	705967463	MCWNGGXUASZLMG-ARJAWSKDSA-N	222.273	-0.041	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CCCCC(=O)NN	706115892	QZQVZPHDDHJFHA-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CS[C@H]1CCCCN(C(=O)C(=O)NN)C1	707278272	JFULUHSXEMKSKY-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
NNC(=O)NCC[C@H]1CCCS1(=O)=O	714334100	DXXHXKUBPKLFAB-ZCFIWIBFSA-N	221.282	-0.873	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](F)[C@H](F)C1	714557812	FUTBLAOUKHYEDR-LYFYHCNISA-N	207.224	-0.253	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862460925	LHQMTQRQGCYRBK-PRJMDXOYSA-N	239.275	-0.542	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNc2nc[nH]n2)C1	897777578	PVMNNZBNEPRMHB-NTSWFWBYSA-N	211.225	-0.327	50	10	BBGE	
OB(O)c1cccc(F)c1CN1CCCO1	1232754425	HXOWWBNLSIQFIU-UHFFFAOYSA-N	225.028	-0.357	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)C2CCC2)c1O	1443860912	LTDPKRICWLQOPH-UHFFFAOYSA-N	238.247	-0.015	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)C1CC1	1540362174	XMGMZNHNRPBZDX-MRVPVSSYSA-N	212.249	-0.295	50	10	BBGE	
CC(=O)NNC(=O)/C(C#N)=C/c1cnn(C)c1	1587581709	JDMGIACCHYQSAV-YCRREMRBSA-N	233.231	-0.506	50	10	BBGE	
Cn1nccc1NC(=O)c1ccc(B(O)O)cc1	1631576592	PRBKQXODVWYASK-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1nc(=NS(=O)(=O)CCl)n(C)[nH]1	1884168630	UKMLQBHPQSWTGR-UHFFFAOYSA-N	224.673	-0.517	50	10	BBGE	
COCC(CCNC(=O)NN)COC	1887141630	ZLCOGNIMYWJORZ-UHFFFAOYSA-N	205.258	-0.542	50	10	BBGE	
C[C@@]1(CCl)CN(C2(CO)COC2)C1=O	1887905155	DEGDJMDWROOYBQ-MRVPVSSYSA-N	219.668	-0.165	50	10	BBGE	
CS(=O)(=O)c1cccc([C@@H](N)[C@@H](O)C#N)c1	1894492088	NUGONFRNTDAUNX-VHSXEESVSA-N	240.284	-0.026	50	10	BBGE	
N[C@@H]1C[C@H](CNC(=O)C=CC(=O)Cl)C[C@H]1O	1897219396	LHILKLBISQUPFW-XLPZGREQSA-N	246.694	-0.478	50	10	BBGE	
CCc1nnsc1CN(C)[C@H](C)C(=O)NN	1899832885	HVOJDTWVKSTKCW-ZCFIWIBFSA-N	243.336	-0.089	50	10	BBGE	
C[C@]1(O)CN(C[C@@H](Cl)C#N)CC[C@H]1O	1901104343	DTNXBLCFRBVTSR-YIZRAAEISA-N	218.684	-0.065	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C[C@H]1C)C(=O)NN	1902716327	QRUBBRKPNHJWTH-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CCOCC(=O)NN	1907893607	MKUZNFUBUVKRTE-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1(CO)CCC1	1915001812	DWWSZAFFMGBUFV-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@]23CCOC3)cc1	1915577263	RLDWUHHJPJBMJF-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@H](C)CCC(=O)NN	1916200918	WVVSDGLZGDFIDC-HTQZYQBOSA-N	230.312	-0.789	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H]1CC[C@@H]2O	1927998184	IQFVKWQEFIKLGX-HLTSFMKQSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)[C@H](C)CCO1	1929658962	GZQCYEXRICFBJU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H](C)C1	1929954173	FMSVWGQSVMPOQB-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
O=S(=O)(C[C@@H]1CC[C@@H](F)C1)NCB(O)O	1930654990	XIVCYXYVYQZYKH-RNFRBKRXSA-N	239.077	-0.944	50	10	BBGE	
O=C(CCl)NC1(c2nn[nH]n2)CC1	1931223398	SPSMSNCIVTXHDJ-UHFFFAOYSA-N	201.617	-0.456	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc(C2CC2)n1	1936079930	HIADXTXGGUYQPQ-HTQZYQBOSA-N	221.264	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cc(Cl)cnc1=O	1936081674	ALFSEMLSFVJAON-IYSWYEEDSA-N	242.666	-0.477	50	10	BBGE	
NNC(=O)COCCSc1ccncc1N	1936525342	CXSNUZMZYQCENV-UHFFFAOYSA-N	242.304	-0.238	50	10	BBGE	
O=C(Cn1cncn1)N1CCOC[C@@H](Cl)C1	1937145554	KXIOGYYKWYGYJH-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC(C)(C)CO	1938122341	NQPHMEGLLCKFGB-RKDXNWHRSA-N	231.340	-0.049	50	10	BBGE	
CN(Cc1ccncn1)C[C@@H]1C[C@H]1C(=O)NN	1941087965	CYARCSDPQOZAPN-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1941088991	SRWOCNYPEYVVJO-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccc(C)nn1	1941971841	RZWPWQNODOURIZ-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2[C@H](C1)[C@@H]2CO	1944549002	SWPFADCRJOZYGU-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCN(C)CC1(C)C	1945279962	GILOZOKIWZXJBK-SECBINFHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H](O)CCC[C@H]2C1)C(=O)NN	1945657465	CRPIIEWQWBXPDY-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CCCO)CC1	1945882304	FRMIXZQTMMYJSE-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(CC1(C(=O)NN)CC1)C2=O	1946990837	NEQSCCQZMGYYTG-LDWIPMOCSA-N	237.259	-0.849	50	10	BBGE	
C[C@@H]1CN(CCn2cc(B(O)O)cn2)C[C@H]1C	1950188659	GCVHBPQPDGYSFH-NXEZZACHSA-N	237.112	-0.849	50	10	BBGE	
C[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)CCOC1	1951322033	QLOGYFABWKMSJP-WCBMZHEXSA-N	227.069	-0.512	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1959911893	WFPYRGJNEDDSID-ZGQXEFDQSA-N	219.191	-0.023	50	10	BBGE	
NC(=O)[C@H]1COCCN1CCOCCCl	1960166463	WCNLVZHSOYGKSX-MRVPVSSYSA-N	236.699	-0.572	50	10	BBGE	
CCN(CC)[S@](C)(=O)=N[C@@H](C)C(=O)NN	1960616714	FUEWYEMZUXWIRK-NZFNHWASSA-N	236.341	-0.281	50	10	BBGE	
CN1CC[C@H]2[C@H](CCN2CC(=O)NN)C1	1961388258	PQXPMUIVKDSRQA-BDAKNGLRSA-N	212.297	-0.998	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)C1	1961689824	DXZPVAFUWIPCTB-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1C[C@@H]1C	1961694177	KSWSDDLEJIPVAI-RCOVLWMOSA-N	207.038	-0.143	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ccc(B(O)O)cn1	1976030698	XDEHNPQZHWXCBC-SSDOTTSWSA-N	222.053	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1[C@H]1C[C@H]21	1976404079	ZRJNVDATRKSVNH-JHMKVRFYSA-N	221.304	-0.047	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CCCC(=O)NN	1976820652	MXFMKRZLHOBRJD-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)[C@@H]1C	1981413165	CDFLMGDVOYBGQC-HTQZYQBOSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]3C2)nc1	1981414894	XKIYSJHVAFOQKV-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1ccc(B(O)O)cn1	1981415396	DKMSCXGXBBHTJM-PSASIEDQSA-N	220.081	-0.004	50	10	BBGE	
Cc1nc(N2CCC[C@H]2C)ncc1B(O)O	1981447389	MWJJAYWRFHWCNT-SSDOTTSWSA-N	221.069	-0.546	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@H]2COC[C@@H]21	1989708960	FFJIZSQPQYIUTN-BQBZGAKWSA-N	248.666	-0.439	50	10	BBGE	
O=C1CN(C2(C(F)(F)F)COC2)CC(=O)O1	1990705753	YDPYCCNARMGHHY-UHFFFAOYSA-N	239.149	-0.297	50	10	BBGE	
Cc1nc(C)c(C(=O)NCC=CB(O)O)o1	1991338590	RMYIUYYXDYVKQY-UHFFFAOYSA-N	224.025	-0.411	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2CCC[C@@H]21	1992154027	UYRDGDUEVZDRLO-KXUCPTDWSA-N	221.065	-0.446	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@]2(CO)C1	1992491146	UPHJPXLBEAYNCT-ONGXEEELSA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)[C@]12CO[C@](COCC3CC3)(C1)C2	1993890232	DVUDWSVOMGFSMP-XYPYZODXSA-N	226.276	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12CO[C@](C)(C1)C2	1993938815	GKUGDUUYJAXWAY-IEBDPFPHSA-N	227.308	-0.134	50	10	BBGE	
O=C(O)[C@@]12CCC[C@@]1(C(=O)NNCCO)C2	1995273695	QMMKQHVPCLXPLE-UWVGGRQHSA-N	228.248	-0.756	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCN(C)[C@H]2C1)C(=O)NN	1996607926	JDIXVPMBPJUFTQ-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN(C)C1COC1	2005235662	WZDWGJPVTPBDCV-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005991002	LKQYWSICEZFUAX-RNJXMRFFSA-N	249.261	-0.828	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	2017623660	RRYQIQRCPVKFOZ-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCN(C)C[C@H]1C	2019206894	AKXXWIKAFDRBEC-SECBINFHSA-N	242.323	-0.820	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnccn1	2020061145	ZCAZHGGQDKSHLY-QMMMGPOBSA-N	233.036	-0.693	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@@H]2C2CC2)nc1	2022580952	ZJNOQEDCXNRAHU-WCBMZHEXSA-N	234.064	-0.419	50	10	BBGE	
Cc1nocc1C(=O)Nc1ccc(B(O)O)cn1	2040765891	WURRGHRUZCPXFA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H]2CO)cn1	2056631503	NOXURERZEHLOJW-JTQLQIEISA-N	248.286	-0.582	50	10	BBGE	
N#Cc1cc(C=O)c(Cl)c(B(O)O)c1	2060100184	IKMQKTMEVNFKFT-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
O=Cc1ccc(B(O)O)c(Cl)c1[N+](=O)[O-]	2060133074	SLBZGZBQWARVQV-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCc1c(C#N)cc(B(O)O)cc1OC	2060262232	LRYOCJGVPKENNO-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CN1CCC(OCc2ccc(B(O)O)cc2)CC1	2077331528	XZGIUVXECZBDRC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CCOCCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2211827119	ALAKFQDXOIZCDO-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)N(C)C[C@@H]1C	2212072150	WKAKHWKGRRGNIW-LPEHRKFASA-N	228.340	-0.221	50	10	BBGE	
CCC[C@H](N)CNc1ccc(B(O)O)cn1	2212605167	YWOWNMYKXQRQTI-VIFPVBQESA-N	223.085	-0.699	50	10	BBGE	
OCCCCCNc1ncccc1B(O)O	2212615559	QYUPDWVDNDNMCW-UHFFFAOYSA-N	224.069	-0.664	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2213351098	BNPUASWUJKHLHO-DNRKLUKYSA-N	241.335	-0.010	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCNC1	2214597838	ZYRYOAKBQANJJM-GFCCVEGCSA-N	234.108	-0.840	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](C1)C2O	2215777596	TZSSNHXSMVSNLN-XSIKWTSOSA-N	239.319	-0.685	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CC1(C(=O)NN)CCC1	2216531783	GMUOPNZTIHVXAL-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1NCC[C@H]1COc1ncccc1B(O)O	2217173168	NXUWMZZTNJUGRQ-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
CO[C@@H]1C=C[C@@H](Nc2ncccc2B(O)O)C1	2217175918	PCVQXHAZIRLNSJ-RKDXNWHRSA-N	234.064	-0.483	50	10	BBGE	
CC[C@H](CCCO)Nc1ncccc1B(O)O	2217179109	GMEPCXDBHOOGPD-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CO[C@H]3C[C@@H]2C3)nc1	2217181982	XTQRPFIJTRUPAH-FKTZTGRPSA-N	234.064	-0.649	50	10	BBGE	
CC#CCCCN=c1cc(B(O)O)c(C)c[nH]1	2217182917	HUGAZMHXTCHOMO-UHFFFAOYSA-N	232.092	-0.293	50	10	BBGE	
COC[C@H](C)CNc1nccc(B(O)O)c1F	2217184526	POWFZMQLRZFFRT-SSDOTTSWSA-N	242.059	-0.405	50	10	BBGE	
C[C@@](N)(COc1cc(B(O)O)ccn1)C(F)F	2217186865	PVZFCBDYKULJHX-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
CC1(C)[C@@H](Oc2ccc(B(O)O)cn2)C[C@H]1N	2217188368	NEJXNPJHIIWRJJ-BDAKNGLRSA-N	236.080	-0.734	50	10	BBGE	
C[C@@]1(COc2cc(B(O)O)ccn2)CCCN1	2217190048	KLOJESQJDFRFKA-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Oc1cc(B(O)O)ccn1	2217191792	LNUNELUFVLOCMO-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCNC12CC2	2217200475	KMOLIFMXROFVMA-VIFPVBQESA-N	233.080	-0.932	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)Nc1cc(B(O)O)ccn1	2217205299	WZLKZAXMTWHMEW-GZMMTYOYSA-N	236.080	-0.259	50	10	BBGE	
Cc1cc(O)cc(C(=O)NCC#CB(O)O)c1	2217389736	CYBIOPCJTDJOQR-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCCC1CCC1	2217412484	JSCARVXKPTUCMI-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1(CO)CC1	2220072366	OBPLAZAXHUFVKN-UHFFFAOYSA-N	249.119	-0.429	50	10	BBGE	
CCCN(c1cc(B(O)O)ccn1)[C@@H]1CCNC1	2223634876	PSCSYHWUGRDJJN-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
CO[C@H]1CN(c2cc(B(O)O)ccn2)CC12CC2	2223665872	FVEKQHPURFGQOZ-JTQLQIEISA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1NCCCn1cccn1	2223666590	NCLHSSYFHMEHOO-UHFFFAOYSA-N	246.079	-0.540	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1c1cc(B(O)O)ccn1	2223678021	WBEOBBHVOBJPQF-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@H](O)CC1	2241592335	KFZVSUULPZIJQC-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
O=C(NCC=CB(O)O)N1CCC2(CC2)C1	2243085612	WBELIJBTXUVEEH-UHFFFAOYSA-N	224.069	-0.250	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@H]2C1	2243349210	HVIHUZZIHMEYKN-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
CS[C@@H]1CCC[C@@H]1N(C)C(=O)C#CB(O)O	2243357625	ZGKSFYLQNXSQFF-DTWKUNHWSA-N	241.121	-0.256	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243358037	AZZRCXSAWCKRRE-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CO[C@@H](C)CCN(C)C(=O)C1(B(O)O)CC1	2243365193	JCPNAMXHWGTSTJ-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCCN1	2243366068	XAWDGFBMKVAIDF-SECBINFHSA-N	226.085	-0.748	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)C2)c(B(O)O)s1	2243378151	NOZSXLFIKYCIDG-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
O=C(NCCCCCO)[C@H]1C[C@H](B(O)O)C1	2243397103	VNYNLEBQYILILN-KYZUINATSA-N	229.085	-0.482	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CC[C@H]1C2	2243401819	XFVPNSGOHCKKDD-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CO)C1(B(O)O)CC1	2243409362	GMCNPTFSHKJSQJ-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
O=C(Nc1cnns1)c1occc1B(O)O	2243410407	BBMAAVORXBOOAC-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CC[C@](C)(CO)NC(=O)C1CC(B(O)O)C1	2243413489	HGSLDLWUYSOPDV-SFVIPPHHSA-N	229.085	-0.483	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)cc1O	2243441770	HWRWJOPXYVXVKR-UHFFFAOYSA-N	223.037	-0.836	50	10	BBGE	
C[C@@H]1CCC[C@H]1C(=O)NCCC#CB(O)O	2244545654	AKPQQJMMBIBNAQ-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
CCC=CCNC(=O)c1ccncc1B(O)O	2247721427	CXNPCMVOJPLIQU-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1ccc(B(O)O)o1	2247739934	DAMFQNINBMYUEE-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
CC1=CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247744643	VXAAPWVDEAGTGL-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CCN	2247751353	WOPSYLLWGIOEDG-RKDXNWHRSA-N	240.112	-0.563	50	10	BBGE	
O=C(N1CC[C@H](O)CC12CC2)C1(B(O)O)CC1	2247756393	LUIMNNWKPNBEON-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)C2(B(O)O)CC2)C[C@H]1N	2247763172	MANXIGBTJWUCAM-HTQZYQBOSA-N	240.112	-0.517	50	10	BBGE	
CC(C)[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2247786422	AMOWHTPGEYFOQF-RNJXMRFFSA-N	243.068	-0.535	50	10	BBGE	
O=C(NC[C@H]1CCCNC1)[C@H]1C[C@@H](B(O)O)C1	2247791794	OOIUYENHRPTWLT-LPEHRKFASA-N	240.112	-0.645	50	10	BBGE	
Cc1cnc(C(=O)NC2(C)CC2)c(B(O)O)c1	2247793529	YJDSBTKVQYMNIN-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N(C)C	2247800572	QGLFSQKJAHJTSV-AEJSXWLSSA-N	242.128	-0.448	50	10	BBGE	
C[C@H](Cn1cccn1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247803355	ARTVWPZCRPFVKC-HLTSFMKQSA-N	237.068	-0.749	50	10	BBGE	
CCCOC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247803818	CUNSKMROJYCTOD-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C(=O)[C@@H]1C[C@H]1B(O)O	2247807496	INZUYQCYKSJLIT-UTINFBMNSA-N	238.096	-0.988	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCC(F)(F)C1	2247851244	XFIRFAVRFUFOLO-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
CC12CC(NC(=O)[C@H]3C[C@@H](B(O)O)C3)(CO1)C2	2247859299	LRQSCXCDVJIETN-JZVMUCMXSA-N	239.080	-0.323	50	10	BBGE	
O=C(N1CC[C@H](C2(O)CC2)C1)C1(B(O)O)CC1	2247874752	SZEMLXIOBQIIDI-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
O=C(Nc1cncc(F)n1)C1(B(O)O)CCC1	2247880328	ZGFIXWRLIKQDGD-UHFFFAOYSA-N	239.015	-0.049	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)n[nH]1	2247893997	BDXVSAYCEMCURP-OCAPTIKFSA-N	237.068	-0.413	50	10	BBGE	
CCOC(=O)CCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247894490	HDWKRQKINZOKAX-SFYZADRCSA-N	243.068	-0.691	50	10	BBGE	
O=C(NCC[C@@H]1CCCCO1)[C@@H]1C[C@H]1B(O)O	2247897681	WBSWTXPTTZERMU-IVZWLZJFSA-N	241.096	-0.075	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCOC1(C)C	2247898548	FLSSMNJJMASANO-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@H](C)CO	2248443253	XVYZLDHOKSAHOO-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
CC[C@@H](C)C[C@H](NC(=O)C#CB(O)O)C(=O)O	2248586760	GMMFLJFITNHDJO-SFYZADRCSA-N	241.052	-0.993	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@H](C)C(=O)O	2248591500	QAXRYCRWFOHAST-JECWYVHBSA-N	243.068	-0.439	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)[C@H]1C	2249417066	ADRGZFKJOBENLW-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
Cn1ccc(CNC(=O)c2occc2B(O)O)c1	2255488843	KPRJNYIMHHBPRG-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NN1CCCC1	2255514529	KALZEVKUVCZYRX-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1c[nH]nc1B(O)O	2255554276	KLFUQZYYAMKRJY-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255556706	TXJCUGQXADHRMI-DTORHVGOSA-N	249.079	-0.312	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](c2ncc[nH]2)C1	2255682886	NKZGPHSYPRLGIQ-YIZRAAEISA-N	249.079	-0.412	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255733634	ODQAYQJERMMOGP-BXKDBHETSA-N	249.075	-0.169	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1cncc(B(O)O)c1)C2	2255734472	BILLWQIWQQQUQK-JOYOIKCWSA-N	246.075	-0.757	50	10	BBGE	
Cc1nccnc1CNC(=O)C1(B(O)O)CCC1	2255738324	RBJIWNCWWZQCQQ-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)nnc1C	2258959413	QZWDUKZLZPJIIA-UHFFFAOYSA-N	247.063	-0.771	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](O)[C@@H](O)C1	2297205133	RZIAHMSWWDJURE-PRJMDXOYSA-N	204.657	-0.455	50	10	BBGE	
CC(=O)NC=C1C(=O)NC(=O)C(C#N)=C1C	2297506456	UWSHKVCVZXRUMB-UHFFFAOYSA-N	219.200	-0.497	50	10	BBGE	
CC[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369959	JYGOGPAPLMLLML-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@H](CO)C2	2298370000	LFMUTUAWSZJEAN-GENCIFFESA-N	239.080	-0.779	50	10	BBGE	
CCC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377041	BPGWHZZBAIFGRQ-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@@H]1B(O)O	2298377164	GVTFXOFSXAIMPS-BQHMLIOBSA-N	239.080	-0.467	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)NC(=O)C1(B(O)O)CC1	2302031233	GPCXTZBGSXLWQV-MRVPVSSYSA-N	243.112	-0.095	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1	2303102659	YRZKUYFSBKAQRH-GDPRMGEGSA-N	239.080	-0.512	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	2303113395	BOOVMOUMPRZRBG-RNJXMRFFSA-N	241.052	-0.828	50	10	BBGE	
C[C@@H](N)CCCOc1ccc(B(O)O)cc1C#N	2317210467	BWFOCPVOOSICKV-SECBINFHSA-N	248.091	-0.256	50	10	BBGE	
OB(O)c1ccnc(N2CCN[C@H]3CCC[C@@H]32)c1	2319236981	HFPLGUGXVMXKNU-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccccc2CC1	79575230	XJWQQIQBDRSRFN-UHFFFAOYSA-N	233.271	-0.396	50	10	BBGE	
NNC(=O)CCN1C(=O)CCCCC1=O	82471384	GCHDRZCZALDESG-UHFFFAOYSA-N	213.237	-0.704	50	10	BBGE	
Cc1cc(C)n(CC(C)(C)C(=O)NN)c(=O)n1	93728164	SLDANGSFKADNGW-UHFFFAOYSA-N	238.291	-0.124	50	10	BBGE	
Cc1oc(CN2CC[C@@H](O)C2)cc1C(=O)NN	110580472	OEGQECDYRCPCPO-MRVPVSSYSA-N	239.275	-0.242	50	10	BBGE	
Cc1cccc2c1N(CC(=O)NN)C(=O)C2=O	110603095	SDQOBVFCADNLQZ-UHFFFAOYSA-N	233.227	-0.486	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@H](N)C1	110919855	BFIBNEVMLBINHM-QMMMGPOBSA-N	238.291	-0.194	50	10	BBGE	
N[C@H]1CCCCN(P(N)(N)=O)C1=O	148873929	QNSBPRFFHNGVSJ-YFKPBYRVSA-N	206.186	-0.648	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@](C)(O)C1	157539629	CPGNKSGMXZKGFY-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](F)CN1C(=O)CCl	168989609	VVZYUTHLZPRBJG-RFZPGFLSSA-N	208.620	-0.351	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(O)CCCC[C@@H]2C1	220370278	OQNMDSLRYXZOAF-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCNCC1	226467554	WTSFWZIDORLXIL-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124913	CDQGAWZXTUDQCS-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CCN(CC(F)(F)F)[C@@H](COC)C(=O)NN	232419558	IASAFWBEPXBJRR-LURJTMIESA-N	243.229	-0.125	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)S(=O)(=O)CCl	234364801	PEMYZBFZPAFHDY-LURJTMIESA-N	242.728	-0.174	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	302652236	WBRINYBXJPIMQW-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)C(C)(C)C1)C(=O)NN	304490352	CUCAULSTMOOIBV-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CS(=O)(=O)N[C@H]1COC[C@@H]1Br	306501148	QZVHTOGYIFPVIO-WHFBIAKZSA-N	244.110	-0.302	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCCS1	307300092	RXZQCHZVEFMARQ-YFKPBYRVSA-N	204.251	-0.978	50	10	BBGE	
Nc1cc2ccsc2c(O)c1B(O)O	307436159	QSEUMKYZVAPWDL-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
N#C[C@H](Cl)CN1CCNS1(=O)=O	307551391	SILRDJJTSDIABD-YFKPBYRVSA-N	209.658	-0.733	50	10	BBGE	
CCOC(=O)NNC(=O)CC1CNC1	308867607	GVTYSPSBFSXTKO-UHFFFAOYSA-N	201.226	-0.627	50	10	BBGE	
NNC(=O)CCCN1CCOCCC1=O	308983393	SVCVQZICGWANAB-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2CCC1CC2	309517653	WDOVXOPCXKMERF-UDNWOFFPSA-N	227.308	-0.134	50	10	BBGE	
Cn1nnc([C@@H](CCCCl)NN)n1	382417974	RDDBNNVRLRYHBA-RXMQYKEDSA-N	204.665	-0.267	50	10	BBGE	
CC(=NNC(N)=O)c1ccc(=O)n(C)c1	383974105	QEEGRQWQMQPYNQ-UHFFFAOYSA-N	208.221	-0.222	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1CO2)C(=O)NN	387636627	RVARRTZHFJVNDO-JGVFFNPUSA-N	213.281	-0.524	50	10	BBGE	
O=C(N[C@@]1(CCl)CCOC1)[C@H]1COCCO1	393920653	RSZRJGPASLJYIH-PSASIEDQSA-N	249.694	-0.084	50	10	BBGE	
CCC[S@](=O)Nc1ccnc(B(O)O)c1	404897662	CPOOHZCIKQYVRW-HNNXBMFYSA-N	228.082	-0.753	50	10	BBGE	
O=C(CCC1CC1)Nc1ncc(B(O)O)s1	405008271	UHZYNMAJAIVEJA-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
CSCC(=O)Nc1ccnc(B(O)O)c1	405049325	GYNULAGPWWDBEC-UHFFFAOYSA-N	226.066	-0.937	50	10	BBGE	
CCC[S@@](=O)Nc1cccc(B(O)O)c1	405062104	QQPYJKOSIDQPOJ-OAHLLOKOSA-N	227.094	-0.148	50	10	BBGE	
C#C[C@@]1(O)CCN(C(=O)CBr)C1	575564071	BAWPUZAIHVICLG-MRVPVSSYSA-N	232.077	-0.022	50	10	BBGE	
CC[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)O	585044237	BUGMDSCCDIZOEA-SKDRFNHKSA-N	237.108	-0.385	50	10	BBGE	
CN(C)C[C@H](O)CN1CCC(O)(C#N)CC1	685990226	MDTRVEZKHHBUAC-JTQLQIEISA-N	227.308	-0.741	50	10	BBGE	
Cc1cc(OCC(=O)NNC(N)=O)no1	706014717	GUVLZXVYJFZKRB-UHFFFAOYSA-N	214.181	-0.939	50	10	BBGE	
CN(C)[C@H](C(=O)NN)[C@H]1CCCOC1	708188072	CUSNKTNAZTUNRN-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1C[C@H]2COC[C@@H]2C1)C(=O)NN	718254259	YCZCAYNHNGBTBT-VGMNWLOBSA-N	213.281	-0.809	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)CCC(=O)NN)C1	719807375	NHAISRNLLYUZOU-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
COc1nscc1CN(C)[C@H](C)C(=O)NN	723207240	ZMGMGGFVJGDVER-ZCFIWIBFSA-N	244.320	-0.038	50	10	BBGE	
CC(=O)NNC(=O)C1=C=C(Cl)NN=C1Cl	725448444	MJYIOWFCHSICEQ-UHFFFAOYSA-N	249.057	-0.085	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1COCCO1	745998087	GYKULFKDMXDEMV-BWZBUEFSSA-N	243.263	-0.859	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ccoc1	746184665	GETSUSHRGZELBR-UHFFFAOYSA-N	234.215	-0.063	50	10	BBGE	
COc1cccc(NNC(=O)CNC(N)=O)n1	780768452	QCOZBOKWYYJXNZ-UHFFFAOYSA-N	239.235	-0.798	50	10	BBGE	
CC(C)(C(=O)NNC(=O)c1cnn[nH]1)C(F)F	792144454	WMBBADRLZQVZIZ-UHFFFAOYSA-N	247.205	-0.143	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CCC(F)(F)C1	798114152	UNONXCNFIQYDSK-LURJTMIESA-N	236.218	-0.048	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	819663853	KHUDKLMAVMXONA-WDSKDSINSA-N	218.278	-0.590	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1C[C@@H](C(N)=O)C1	846438134	ARHJBVZHFCWRHB-QUNXECGUSA-N	237.259	-0.190	50	10	BBGE	
COc1cc(CC(=O)NNC(C)=O)ccn1	854155934	ZGAIDIRNOUYVLO-UHFFFAOYSA-N	223.232	-0.200	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)C(=O)OC(C)(C)C	1442134763	KEXSKGIQTFXVTE-LURJTMIESA-N	245.279	-0.076	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1	1466140644	CVAYORVBSKQPFX-SECBINFHSA-N	247.254	-0.279	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNc1ncccn1	1543285190	TYLVOESEBKPNHW-SSDOTTSWSA-N	236.231	-0.127	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1cccnn1	1566757447	TUSACPJTNNUSBR-DQZUBPPWSA-N	208.221	-0.143	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)[C@@H]1CCCCO1	1628547786	LBJANIXHXYSGHB-SFYZADRCSA-N	225.248	-0.137	50	10	BBGE	
Cn1cc(C(=O)NNc2ccc(C#N)cn2)nn1	1637755297	VGNOONIQQPJIDQ-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
Cn1nncc1NNC(=O)CCc1ccon1	1641600969	JGQUJQPRFRQGBJ-UHFFFAOYSA-N	236.235	-0.121	50	10	BBGE	
O=C(CNO)NC[C@@H]1C[C@H]1Br	1877372769	QSKWLKBUEZSNRW-CRCLSJGQSA-N	223.070	-0.135	50	10	BBGE	
CN(OCC(=O)NN)C(=O)OC(C)(C)C	1879944967	ICEDETQSLKISIN-UHFFFAOYSA-N	219.241	-0.225	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CCN1	1883647464	MTXMYQRRKAXKDA-IPWVHJGXSA-N	202.641	-0.214	50	10	BBGE	
C[C@H](Cl)C(=O)[C@H]1CNCCS1(=O)=O	1883705360	RDZGPXKZJJZDPK-NTSWFWBYSA-N	225.697	-0.431	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NC1CC(Cl)C1	1884412478	QMXGOLBKPDSIIB-RLXKETGRSA-N	218.684	-0.154	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC(CF)CF	1886033559	OTPRABAYKLGKGA-FSPLSTOPSA-N	208.208	-0.063	50	10	BBGE	
O=C(NNCCO)[C@]12CCOC[C@@H]1C2	1891563392	PBAQHAOACYHVGY-CBAPKCEASA-N	200.238	-0.974	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(N)=O	1893447284	WZHCWSMEGFKFRX-ZLUOBGJFSA-N	220.656	-0.770	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@H]1Cl	1893469089	FMYOXLOCFBLNGQ-PHDIDXHHSA-N	240.712	-0.592	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)[C@H]1C[C@@H]1Cl	1893470752	WFZGUIIUNOZGDU-WDSKDSINSA-N	240.712	-0.639	50	10	BBGE	
CN(Cc1ncon1)C[C@@H]1C[C@H]1C(=O)NN	1894358647	XGOQIQUWAZFLBO-NKWVEPMBSA-N	225.252	-0.873	50	10	BBGE	
CC1(F)CN(C(=O)c2cnsc2B(O)O)C1	1900442110	IPLSMRHXWGAGFI-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
CNCCSc1ccc(B(O)O)cc1C#N	1901199770	MXVSTRYPRUMVKI-UHFFFAOYSA-N	236.105	-0.450	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@@H]1CN)S(=O)(=O)C1CC1	1901343568	XZXMLQSVTDUDDQ-SVRRBLITSA-N	247.320	-0.964	50	10	BBGE	
CC(C)=C(COC[C@@H]1COCCO1)B(O)O	1901631880	FBVKSVKSGKZXSA-VIFPVBQESA-N	230.069	-0.233	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccc(B(O)O)s1	1902407455	TXSZKCXZNJUCTK-MRVPVSSYSA-N	237.089	-0.380	50	10	BBGE	
CS(=O)(=O)C1(CN2CC[C@@H](B(O)O)C2)CC1	1902518293	QUWQLZVKQRJUDG-MRVPVSSYSA-N	247.125	-0.888	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1906310346	UYRPUDAQJBJQLQ-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C1(C)C	1914330987	QHKTXGWPDNTRDS-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(N)=O)cn1	1922329839	ZAPMWUMXUSXPDW-UHFFFAOYSA-N	205.177	-0.734	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]1C1CCCC1	1928056808	LZHSZUAVUXGDKB-HTQZYQBOSA-N	211.265	-0.329	50	10	BBGE	
CN(C)[C@H]1CN(c2nnnn2C)C[C@@H]1Cl	1928370383	LPYFSLMHWAOVDV-BQBZGAKWSA-N	230.703	-0.432	50	10	BBGE	
C[C@@H]1CCN(S(=O)(=O)CCl)[C@@H]1C(N)=O	1928673044	XIDQGGGWALHOEQ-RITPCOANSA-N	240.712	-0.292	50	10	BBGE	
O=C(NNCCO)C1(C(F)(F)F)CC1	1929837227	WUTNHLBYSSHKSM-UHFFFAOYSA-N	212.171	-0.058	50	10	BBGE	
OCC[C@]1(CO)CCN(C[C@@H](O)CCl)C1	1932830737	SZZMCZUICSIXHV-VHSXEESVSA-N	237.727	-0.347	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@@H](O)CCO1	1933454671	PTIJLNLBONKDBP-NKWVEPMBSA-N	207.657	-0.119	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COCC[C@@H]1Cl	1937145431	IKUPRQQWDTXZAY-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
CO[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1F	1937156556	ZLOQIZSVEGGQEV-WDSKDSINSA-N	241.213	-0.720	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC2=O)nc1	1937410069	ORHNQVPVBYSILE-UHFFFAOYSA-N	220.232	-0.583	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2ccncc2C1	1937994330	QZRXALCWWUFUJB-MRVPVSSYSA-N	220.276	-0.182	50	10	BBGE	
CC(F)(F)C1CN(CCOCC(=O)NN)C1	1938437857	IHHWMFHRSLPTTK-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]3(CCO3)C2)CC1	1938678160	ZLHZDNXWLGLGFZ-LLVKDONJSA-N	225.292	-0.379	50	10	BBGE	
C[C@@H]1CC(OCCOCC(=O)NN)C[C@@H](C)O1	1941772784	NRCVEHZRQAJZPN-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]23CC[C@]2(COC3)C1	1942758314	TVKNTWDYFFGDDI-YUSALJHKSA-N	239.319	-0.133	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CC(F)C1	1944015787	SOZJXCSUIRDAMI-UHFFFAOYSA-N	238.027	-0.552	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H](CO)C1	1948807614	SCBPDEKDCVDHNI-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
C[C@H]1CC[C@H](Cn2ccc(B(O)O)n2)C1	1957977139	CQWRWFHHCIRTLY-IUCAKERBSA-N	208.070	-0.001	50	10	BBGE	
C[C@@H](CN(C)Cc1cocn1)C(=O)NN	1958692406	LGXVGRBLHGVKOM-ZETCQYMHSA-N	212.253	-0.268	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1958774654	JHQVRXVBTNHUCQ-XGQMLPDNSA-N	233.695	-0.186	50	10	BBGE	
CC(C)OCc1nn(C)cc1C(=O)NN	1961179307	UZCONDUHIKWNRH-UHFFFAOYSA-N	212.253	-0.051	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	1961399616	PEKFXUDQVGLIKU-XKSSXDPKSA-N	213.281	-0.931	50	10	BBGE	
Cc1ccnc(OCC2CC2)c1B(O)O	1961695480	FAGCLHDHPOFCQN-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
Cc1cc(C)n(-c2nc(B(O)O)cs2)n1	1961710001	HBIUGTTWWZGCBJ-UHFFFAOYSA-N	223.066	-0.375	50	10	BBGE	
OB(O)c1cncnc1Sc1nccs1	1961710835	WYFZTWWPNGTUGF-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@@]1(C(F)F)CC(=O)N(CC(=O)NN)C1	1962293041	CTZMBZMNMDUSBN-MRVPVSSYSA-N	221.207	-0.520	50	10	BBGE	
CO[C@@H](C)CC(=O)N1CCC(B(O)O)CC1	1964500962	QDYCVFFSBFXDDL-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(F)(F)C[C@H]1CO	1976196678	DSQOIRLYVDESKS-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(C)COC[C@@H]12	1976539852	LEGMJRUZLAXXCD-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@]2(C(=O)O)C[C@H]2C1	1977091086	KZNHLUKULTVOIE-OIBJUYFYSA-N	227.264	-0.031	50	10	BBGE	
CN(C[C@@H]1CC2(CC2)CO1)C(=O)C(=O)NN	1979379805	NXPOFWZCOWIBAH-ZETCQYMHSA-N	227.264	-0.996	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2[C@@H](C)CC(=O)NN	1984069480	NFRUWJOACBOHHB-AXTSPUMRSA-N	227.308	-0.136	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1C[C@@H]2CC[C@H](C1)O2	1985254032	AIWISXVDMWPBEZ-WHUPJOBBSA-N	227.264	-0.855	50	10	BBGE	
NNC(=O)COc1ccc2c(c1)OCCO2	1986333683	QLMTWNIQOPEFIV-UHFFFAOYSA-N	224.216	-0.174	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2CCO[C@@H]2C1	1986659767	HKYHKWNXCMTCNC-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)CC(F)(F)C1	1986741744	SBGDYVLLKQNYFB-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](OC[C@H](C)N1CCOCC1)C(=O)NN	1987275030	VDCXCAYRJOZRFF-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)C(=O)NN	1989052284	OWIUVOQESIUTCM-QKAWAISNSA-N	223.276	-0.663	50	10	BBGE	
CNC(=O)[C@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991651635	UXHSVBVKFZPCQU-ZETCQYMHSA-N	244.678	-0.098	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H]2[C@H]1CO	1992538902	ZMVMASVHYLKCFA-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
C[C@]1(CNC(=O)NC(=O)CCl)CCNC1=O	1993212747	JUYVXFPFDHZVJJ-SECBINFHSA-N	247.682	-0.423	50	10	BBGE	
CCCN(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	1993891038	LJNNLFMKQUVTPC-XYPYZODXSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CCN(C)[C@H]2C1	1996607703	HCAASJUGQICBQX-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CO)CCCC[C@H]12	2000944910	RTFRCALXTNKMJI-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
CCn1ncnc1CN(C)[C@H](C)CC(=O)NN	2002658932	UDEQFBYPZMFPTM-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
COC(C)(C)COc1ccc(B(O)O)c(C)n1	2004925718	UHIKGDCORQHHEW-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
CC1(C)C[C@@H]1CCOc1ncc(B(O)O)cn1	2004930068	QILCFGMZSMZBQN-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H]3C2)ncc1B(O)O	2004973920	BWBFZWKCYUYTLS-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@H]3CC[C@H](C2)O3)c1	2010677296	KTLKQKPPUYKNCI-UIKWRGBMSA-N	236.080	-0.480	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]1C1(O)CC1	2013926462	LKBYFSFYRJXQMU-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
C#CCCOCC(=O)N1CCC(O)(C#N)CC1	2014024310	ADMDBYLHNIAHAC-UHFFFAOYSA-N	236.271	-0.097	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC	2014232283	FMZDHNFDZCXWBP-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)CC1(C(=O)NN)CC1	2015791108	RJQGEWSCEMFXCB-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@H]3CC[C@H]32)CC1	2015991291	VLHNIOFUSNAPNA-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H](CN2)C3)CC1	2017432407	VCPJXDSMDHYNOW-WVSHTKLVSA-N	235.287	-0.385	50	10	BBGE	
Cc1ccnnc1CN(C)[C@@H](C)CC(=O)NN	2017628348	UZIDKJBDODSGBJ-VIFPVBQESA-N	237.307	-0.015	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CCC[C@H](C(=O)O)O1	2018224734	AGQGMAIBOMGKEV-HTQZYQBOSA-N	245.279	-0.216	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCOCC1	2019211611	QTVIHMLKHJEKHG-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC1(C(=O)NCCc2ccc(B(O)O)cc2)CC1	2058047042	SDVSSEQJIHUGOP-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
CCc1ccc(C#N)c(C=O)c1B(O)O	2060237030	BLSMJAUYWIFGHE-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CCn1nc(C)c(Cn2cc(B(O)O)cn2)c1C	2067583505	WQZCKTMMVMGABE-UHFFFAOYSA-N	248.095	-0.556	50	10	BBGE	
COCCCCOCc1nscc1B(O)O	2211144266	BOILBZMTMPMPHI-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
OCCCCSc1nccc(B(O)O)c1F	2212599410	IJQNBDQKJVOSOU-UHFFFAOYSA-N	245.084	-0.235	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)[C@H](F)C2)c1	2212601057	HYSRAOUQHUIIER-OCAPTIKFSA-N	228.007	-0.742	50	10	BBGE	
CC[C@](C)(CN)Oc1cc(B(O)O)ccn1	2212605447	FDSUKTVCIPHJIQ-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1ncccc1B(O)O	2212606498	VFBVOXZRAFRCTE-SFYZADRCSA-N	224.069	-0.403	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(=O)n(CC(=O)NN)c1	2212705743	VWDYZGPGUDBHTC-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2C[C@@]2(O)C1	2215770121	AAULTEQDCJKYHU-DTHBNOIPSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](O)C2(CC2)C1	2215770515	CCJLVWIXFVDJKZ-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
CCN1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1=O	2215774042	CMNVPSWRPDPSSW-RKDXNWHRSA-N	240.307	-0.240	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Nc1ncccc1B(O)O	2217178192	SHDZAYWMWBZJFR-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1nccc(B(O)O)c1F	2217179832	BVBWJSKXZYNYCG-BQBZGAKWSA-N	242.034	-0.163	50	10	BBGE	
OB(O)c1ccc(NC[C@]23C[C@H](CO2)C3)nc1	2217183008	IEKZLNPZGSNOEX-DKTWLAJQSA-N	234.064	-0.648	50	10	BBGE	
Cc1cnc(NC(C)(C)CCN)cc1B(O)O	2217184442	TUYMAEBEDVSTBX-UHFFFAOYSA-N	237.112	-0.391	50	10	BBGE	
N[C@H](COc1cc(B(O)O)ccn1)C(F)(F)F	2217187525	ZZSMAKLHPWPGHA-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
OB(O)c1ccc(=NCCc2cscn2)[nH]c1	2217196524	GZARRRZBCKNMMI-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
CN1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2217200237	IURZHLPKCYYQFI-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3COC[C@@H]32)nc1	2217201947	GQXSAJNFWGEMHL-UJNFCWOMSA-N	234.064	-0.792	50	10	BBGE	
O=C1C[C@@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220061340	DJGXHFNBAUUDKR-QWRGUYRKSA-N	245.087	-0.265	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@H]3C=C[C@H]2C3)[nH]c1	2223629616	VUERXXOIKXLOBO-LPEHRKFASA-N	245.091	-0.798	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)C[C@@H]1CN	2223634870	PQXPRKBUNFQXMV-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)CC1	2223675053	PDSAQIVUPJCDMD-QWRGUYRKSA-N	249.123	-0.167	50	10	BBGE	
CN1CC[C@H](Nc2ncccc2B(O)O)C1(C)C	2223677719	RQIHINGMBUDRII-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccs1	2241471358	IXXOTYMLEAJXPX-UHFFFAOYSA-N	209.035	-0.620	50	10	BBGE	
CCNC(=O)c1scc(B(O)O)c1C	2241475025	PBPGBBDCMLKIER-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
CC(C)CONC(=O)c1nscc1B(O)O	2243346564	AOJSHEHSHKCXAJ-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
O=C(N[C@]12COC[C@@H]1C2)C1(B(O)O)CCC1	2243347571	NXTRMNSIZWLDHF-OIBJUYFYSA-N	225.053	-0.711	50	10	BBGE	
CC(C)C[C@H]1CCN(C(=O)C#CB(O)O)C1	2243357020	QDOZDFWMWNCYBZ-SNVBAGLBSA-N	223.081	-0.104	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2CCC[C@@H]2C1	2243361492	CAWDEAFUWDVDIO-ILWJIGKKSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H](C[C@@H](C)NC(=O)C#CB(O)O)C(F)F	2243361854	IGRLUEYLSKRFMX-NKWVEPMBSA-N	233.023	-0.202	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C(F)F	2243361938	JLBRYDZOFAHTNT-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2243392975	YUUOXPPWUPJEAC-JBDRJPRFSA-N	227.069	-0.731	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)[S@@](C)=O	2243398922	VHAHSBGDVYVTGU-VGDKGRGNSA-N	247.125	-0.733	50	10	BBGE	
O=C(C#CB(O)O)NC1(C2CCCC2)CC1	2243401144	MUJOYDCMHRBDET-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
C=C(F)CN(C)C(=O)c1csc(B(O)O)c1	2243407913	CBOACTRRMRKWOE-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
Cc1cc(C(=O)NC(C)C)ccc1B(O)O	2243410180	WPTBWHFVYLJWRS-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
O=C(N[C@@H]1CC12CC(O)C2)C1(B(O)O)CC1	2243410750	HAFMTKWFWJZBMI-KDIYEYIXSA-N	225.053	-0.977	50	10	BBGE	
O=C(c1cscc1B(O)O)N1C[C@H]2C[C@@H]2C1	2243410767	HMATWJAHRQJOBR-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC=C(F)C1	2243414594	DORGKPVPPMSXHB-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1C[C@@H]1B(O)O	2243415521	WWGVCRDMXSKLAK-XAVMHZPKSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@H]1C2	2244496295	AZOKQGDYTCNCLP-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
O=C(N(CCO)C1CCC1)C1(B(O)O)CCC1	2247736205	SLUVPXREASOYIE-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
C[C@@H](CNC(=O)c1ccoc1B(O)O)C1CC1	2247739728	AIKNUCQFZFLHAL-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
CCC[C@H]1COC[C@H]1N(C)C(=O)C#CB(O)O	2247741388	YXTDOIPMLUZQNX-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
CCCC1(NC(=O)C2(B(O)O)CCC2)CNC1	2247750334	HVGYAKMCOJCAQP-UHFFFAOYSA-N	240.112	-0.358	50	10	BBGE	
O=C(N(C1CC1)C1CNC1)C1(B(O)O)CCC1	2247750670	MQQMMNAOVBELGB-UHFFFAOYSA-N	238.096	-0.654	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C1(F)CC1	2247756781	NVCXYAHHWZVOHW-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1NC2)C1(B(O)O)CC1	2247757646	RDLUICZTUIHOGZ-HLTSFMKQSA-N	238.096	-0.750	50	10	BBGE	
O=C(N1C[C@@H](O)C[C@H](F)C1)C1(B(O)O)CCC1	2247758227	UNSJMTAAHFIXSN-YUMQZZPRSA-N	245.059	-0.685	50	10	BBGE	
NCC12CC(CN1C(=O)C1(B(O)O)CCC1)C2	2247758684	WOMDMVRHTZGKPG-UHFFFAOYSA-N	238.096	-0.667	50	10	BBGE	
CCN(C)C(=O)c1ccc(OC)cc1B(O)O	2247768096	LKSRTIFHZSOSKZ-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787947	WYQCVJLXCDKFCZ-BBBLOLIVSA-N	242.128	-0.304	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247803695	CQZOFMYGGDVBNT-YUMQZZPRSA-N	237.068	-0.494	50	10	BBGE	
CC(C)[C@]1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806547	FWRCUYMBLSNCTB-QXEWZRGKSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H](O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806577	GBKJOUJQQFJNCJ-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
CCc1ocnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247808245	KIBIMXXKPLDGES-RQJHMYQMSA-N	238.052	-0.284	50	10	BBGE	
O=C(NCCc1cnc[nH]1)[C@H]1C[C@H](B(O)O)C1	2247808816	WGTSVUJESPOEAP-ZKCHVHJHSA-N	237.068	-0.679	50	10	BBGE	
CCc1ncc(CNC(=O)[C@@H]2C[C@H]2B(O)O)o1	2247810347	WPCFZDUIYDOBTB-HTQZYQBOSA-N	238.052	-0.284	50	10	BBGE	
C[C@@H](CO)[C@H]1CCCCN1C(=O)C#CB(O)O	2247851249	XGPMMYXVQSFCFF-VHSXEESVSA-N	239.080	-0.989	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H](O)[C@H](F)C1	2247852102	OUJDQQWAMKUCBA-BGZDPUMWSA-N	245.059	-0.829	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1coc(B(O)O)c1	2247872301	PYUSSDLGDNVPPS-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1C[C@@H]2O)C1(B(O)O)CCC1	2247876313	MWZQTRCGLIRUTK-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
CC[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247885190	GYXURYQLULAGMS-RQJHMYQMSA-N	239.084	-0.746	50	10	BBGE	
CCN(OC)C(=O)Nc1ccccc1B(O)O	2247972960	IKLGMWGFAWTHII-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
Cc1cnc(O[C@H]2C=CCOC2)c(B(O)O)c1	2249279190	GONYXNFJHZYNDB-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
OB(O)C1CCN(CCO[C@H]2CCOC2)CC1	2249355254	NRNBKQXZHCOJOT-NSHDSACASA-N	243.112	-0.269	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NCCC#CB(O)O)O1	2249999071	QVIVYKPEBYYSSF-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cccnc1O	2250765884	VDSZJTDTRYTYMR-MRVPVSSYSA-N	238.291	-0.013	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Oc1ncccc1B(O)O	2251025104	LYJCUJVARAPUTN-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1ccncc1B(O)O	2255454607	QTWWUPIPPTZABA-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
NC[C@@H](NC(=O)C1(B(O)O)CC1)c1ccccc1	2255487152	KUGUYVRVSPCIQA-SNVBAGLBSA-N	248.091	-0.190	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2255508901	FVMSFWYGXCWSNV-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC=CC1CC1	2255509886	UIOYYFZVTPBTAO-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC2(CCCC2)C1	2255549122	PYSGPYQUWCMKGG-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2255670153	CYGVCDZAEUKEFG-PBCZWWQYSA-N	246.075	-0.825	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2cncc(B(O)O)c2)C1	2255710234	HWWOVNRPLXPRTL-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
Cc1nnccc1NC(=O)c1ccoc1B(O)O	2255711120	UXRLYADCJIUHII-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC[C@H]2C[C@@H]21	2255720787	QDSQIARWZKHYKZ-XVKPBYJWSA-N	249.050	-0.260	50	10	BBGE	
C#CCCCNC(=O)c1cc(C)cc(B(O)O)c1	2255736378	MDQXKHGUGGCABR-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC[C@H]2C[C@H]21	2255954086	SLLGWSBSJFXQGP-OIBJUYFYSA-N	247.059	-0.694	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cocc1B(O)O	2258122759	GXNMXXSCVORYIV-VROVMSAKSA-N	249.075	-0.122	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	2260824878	IGKMOKPYXOLOSU-RKDXNWHRSA-N	249.031	-0.974	50	10	BBGE	
Cc1nnccc1COc1cncc(B(O)O)c1	2261292100	IDQHBABNGQRAJN-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
C[C@H]1CNC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376976	AAPUAPHBCFBIKG-ZYUZMQFOSA-N	240.112	-0.789	50	10	BBGE	
CC(C)(CNc1ncc(B(O)O)cn1)C(F)F	2299987587	PDDLGAJSNDKDHO-UHFFFAOYSA-N	245.038	-0.140	50	10	BBGE	
C[C@@H](O)CCNc1ccc(C=O)c(B(O)O)c1	2301419555	QNWHYWMNRXHPLQ-MRVPVSSYSA-N	237.064	-0.638	50	10	BBGE	
O=Cc1ccc(NCCCCO)cc1B(O)O	2301420616	ISZRDSOJNWFNPH-UHFFFAOYSA-N	237.064	-0.637	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	2301425920	FLJCVERDEDCYMK-JGVFFNPUSA-N	242.254	-0.929	50	10	BBGE	
CC[C@@](C)(CN1[C@H]2C[C@H]1CN(C)C2)C(=O)NN	2303428187	GDABEZFWXAHTQU-NHCYSSNCSA-N	240.351	-0.219	50	10	BBGE	
OC[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312613489	IMWXDDVHEZVWQA-WKJUBOCMSA-N	248.091	-0.810	50	10	BBGE	
NC[C@]12C[C@H](CCN1c1ncccc1B(O)O)C2	2318318798	NVWAAOWPNHRTJY-WVSHTKLVSA-N	247.107	-0.921	50	10	BBGE	
NC(=O)CCCNS(=O)(=O)CCCCl	37660850	QLLVTWXSEZQDJN-UHFFFAOYSA-N	242.728	-0.200	50	10	BBGE	
C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)NN	42871012	IHLINNLQVGSTDX-JGVFFNPUSA-N	213.281	-0.081	50	10	BBGE	
COCCNC(=O)NNC(=O)c1ccoc1	49144340	HQDXJPXZNNLWEC-UHFFFAOYSA-N	227.220	-0.130	50	10	BBGE	
CCCN(CCC)C(=O)COCC(=O)NN	58854670	OWMLFXHLKBZGRP-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCN(C)C	86313676	IOSUYULYCPXADA-DTWKUNHWSA-N	216.329	-0.506	50	10	BBGE	
CN(CC(=O)NN)c1ccccc1C#N	87503317	SWCKTOYSCOIOSK-UHFFFAOYSA-N	204.233	-0.016	50	10	BBGE	
CC[C@@]1(C)NC(=O)N(CCCC(=O)NN)C1=O	110598386	RRISYCZRNLKETR-SNVBAGLBSA-N	242.279	-0.523	50	10	BBGE	
C[C@H](NC(=O)CCCl)C(=O)N1CCOCC1	162699864	MIJIUXMSYQBFRA-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)[C@H](C)C1	211725121	SWDYFUKXYTUSKH-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\N1CCOCC1	216544754	YUEVJZARPBSUEK-KTKRTIGZSA-N	239.275	-0.511	50	10	BBGE	
CCN1CCC(=O)N(CCC(=O)NN)C1=O	216872608	BQVXAFFKJSIVLW-UHFFFAOYSA-N	228.252	-0.959	50	10	BBGE	
CO[C@@H]1CCCN(CCC(=O)NN)C1	230357537	LDANCPAPLKNAJM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@]1(O)CCCN(CCC(=O)NN)CC1	230383916	LEKWSROOKXTVJM-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@](C)(O)C1	253060796	DKTUMTZATFORKJ-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CC(=NN)c1c(C)[nH]c(C(=O)NN)c1C	254525114	BQNWPEHYNXXFOJ-UHFFFAOYSA-N	209.253	-0.082	50	10	BBGE	
CNNC(=O)[C@H](N)c1cccc(OC)c1	258993935	GHJALVHIUKLFBA-SECBINFHSA-N	209.249	-0.054	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)[C@H]2CCCO2)c1	293276199	GSFYDOWGNLQPAZ-SECBINFHSA-N	237.259	-0.035	50	10	BBGE	
CNC(=O)CSC[C@H]1CC[C@@H](C(=O)NN)O1	300775921	DUTBLHYLMALWEK-RQJHMYQMSA-N	247.320	-0.997	50	10	BBGE	
COC(=O)Nc1cc(C=O)cc(B(O)O)c1	309150090	QUZKVYRXWHQQES-UHFFFAOYSA-N	222.993	-0.643	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CCC1)C1CC1	325145724	HJTKHJGVVWRQHC-QMMMGPOBSA-N	211.265	-0.329	50	10	BBGE	
C[C@H](CO)[C@@H](C)N=c1[nH]c(CCl)nc(=N)[nH]1	381063056	LVNONOHPEWSZRU-PHDIDXHHSA-N	245.714	-0.126	50	10	BBGE	
OB(O)c1ccc2c(=NC3CC3)[nH]oc2c1	382676599	UDXJGSOILQUINS-UHFFFAOYSA-N	218.021	-0.496	50	10	BBGE	
CC[C@H](C)N(CCO)[C@H](C)C(=O)NN	389202403	FBBRYNHKBPCCFH-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(B(O)O)ccc1CO	396044058	XHATZQXDANUIID-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
CC[S@@](=O)Nc1cc(C)cc(B(O)O)c1	404991153	VOGFKKDUPQJDMR-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	690064231	ADCYYMRXZDVVBO-MNOVXSKESA-N	249.075	-0.270	50	10	BBGE	
CN1CC[C@@H](N(C)CCCCC(=O)NN)C1=O	690213909	SZOZOZVIIAWZLN-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
Cc1nn(CCc2ccncc2)c(C)c1B(O)O	694273062	WAFUQUXNYWPCFO-UHFFFAOYSA-N	245.091	-0.183	50	10	BBGE	
OB(O)c1ccn(Cc2ccccc2F)n1	694277960	XAFKLDVJXADAAT-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	694828912	JJLBCFPXBMSQMQ-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCNCC1	695070220	PGUXLTRKHHZYRW-VIFPVBQESA-N	214.313	-0.704	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CCCO2)C1	702911145	WHAXEBHCBGVRLN-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
C[C@H](c1nn[nH]n1)N(C)S(=O)(=O)CCl	707216549	KTPUBTQAKYKOOR-SCSAIBSYSA-N	239.688	-0.281	50	10	BBGE	
COC[C@@H](COCCCC(=O)NN)OC	709962695	ZRRKXAJSVIASQU-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
NC(=O)N1CCCc2cc(B(O)O)ccc21	712131534	IYPUQSRVJSTDMM-UHFFFAOYSA-N	220.037	-0.802	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@H](C3CC3)O2)n1	715475048	WZSHSQCVCDLZOM-NXEZZACHSA-N	236.080	-0.480	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287921	YXGBUQZCEYETEL-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncccn1	718907754	AHXPNHAXWCYJJH-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
CCC/C=C/C(=O)NNC(=O)[C@H]1COCCO1	744640832	DPGBZLYDQDXZLR-XNPJLODASA-N	242.275	-0.095	50	10	BBGE	
CO[C@H](C)CCC(=O)NNC(=O)c1cnn[nH]1	782661570	PPRXUCSVCMRSLD-ZCFIWIBFSA-N	241.251	-0.619	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cc[nH]n2)CC1	855355501	ZPPIJJIKKUUBMO-UHFFFAOYSA-N	224.220	-0.650	50	10	BBGE	
C[C@@H]1NCC[C@H]1NC(=O)NNC(=O)C1CCC1	861701712	WAHOKZZRNVHWJZ-IONNQARKSA-N	240.307	-0.133	50	10	BBGE	
CS(=O)(=O)CC(=O)NNC(=O)/C=C/C1CC1	863462271	AKCUGTJAPNYPNN-SNAWJCMRSA-N	246.288	-0.855	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn2ccc(C)nc12	1115971757	CUGZNKXQMAGXSH-UHFFFAOYSA-N	248.246	-0.388	50	10	BBGE	
O=S(=O)(CCCCl)NC1(CO)COC1	1260059000	LBZYEJLCSUIGGG-UHFFFAOYSA-N	243.712	-0.704	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)NC2CC2)n1	1261237650	ZQTHLUDRQJHPNI-UHFFFAOYSA-N	238.251	-0.596	50	10	BBGE	
Cn1ccnc1C=NNC(=O)[C@@H]1CCC(=O)N1	1329110303	HWELHWCYICSMMV-ZETCQYMHSA-N	235.247	-0.851	50	10	BBGE	
CN(NC(=O)[C@@H](O)C1CCC1)C(N)=O	1466168694	ZZGQGAMETLDHIA-LURJTMIESA-N	201.226	-0.811	50	10	BBGE	
CCc1cc(C(=O)NNC(=O)c2cc[nH]n2)n[nH]1	1557463875	RRZFCBPFNGUJOQ-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)c1ncon1	1627099456	DRQATVHDRUBILO-RXMQYKEDSA-N	228.208	-0.744	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1882572726	RUKQHUHDVFZDEJ-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
O=C(OCCl)N1CC[C@H](O)[C@H](O)C1	1882908636	ZOGYYOJIADUWKI-NTSWFWBYSA-N	209.629	-0.253	50	10	BBGE	
CC[C@@H](COC)C(=O)NNC(N)=S	1883254768	BBPRGURLWFBMTH-YFKPBYRVSA-N	205.283	-0.477	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCOCCN1	1883643684	CPLWOJHUVLHNGY-RNFRBKRXSA-N	204.657	-0.023	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@@H](O)CO	1885362682	CHCIPVPBUXCINV-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)N(C)C	1888572080	PPTXYPDYFRYMAR-UHFFFAOYSA-N	223.298	-0.157	50	10	BBGE	
COCCCCN1CC[C@@H](B(O)O)C1	1891490450	CVXPSKAHVKMRKS-SECBINFHSA-N	201.075	-0.038	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1893498115	PHISWWYRJZMSNH-KFBNRENSSA-N	221.640	-0.834	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)S(=O)(=O)C1CC1	1894147461	IHTWFJPVHRKBIW-ZETCQYMHSA-N	249.336	-0.431	50	10	BBGE	
CC=C1CN(C(=O)c2cnsc2B(O)O)C1	1900450545	JEFSZYACWVZWOJ-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
Cc1ccc(NS(C)(=O)=O)c(F)c1B(O)O	1905193411	GJPXIBBYEIVEEJ-UHFFFAOYSA-N	247.056	-0.815	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)C(=O)C(=O)NN	1906084218	TVQYDVIZMYOWEO-XNCJUZBTSA-N	203.217	-0.817	50	10	BBGE	
NC(=S)NNC(=O)C(F)(F)C1CC1	1912520643	FZZKOIDZQWGHJW-UHFFFAOYSA-N	209.221	-0.104	50	10	BBGE	
CCN(Cc1nc(C(=O)NN)co1)C1COC1	1915655107	SDPWBYCVKQYEDS-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
COCC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	1916281776	RIQIAFNTDHEHAC-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](CCO)N(C)[C@H](C)CCC(=O)NN	1917042570	FCDVTBXPZRLGGS-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1	1927910755	IZODRPXLSKWOQP-BWZBUEFSSA-N	211.265	-0.519	50	10	BBGE	
Cn1nnnc1CN[C@H]1COC[C@@H]1CCl	1928737384	DTOQIMKXVUDUOS-BQBZGAKWSA-N	231.687	-0.447	50	10	BBGE	
O=C(CCl)N1CC[C@](CO)(CCO)C1	1932830435	ODHFKLMRAGYGHY-VIFPVBQESA-N	221.684	-0.181	50	10	BBGE	
COCC1(NC(=O)NN)CC(F)(F)C1	1934067776	NPIZFZADDMIPAX-UHFFFAOYSA-N	209.196	-0.026	50	10	BBGE	
NNC(=O)CCCSc1nnc2nc[nH]n12	1935694345	YBRZRDVJRSTWQF-UHFFFAOYSA-N	241.280	-0.685	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089784	FJERDAYXPBIBLI-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](N(C)C[C@H]1C[C@H]1C(=O)NN)C(C)(C)O	1936094015	JOISZFNZSCSADV-DJLDLDEBSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938230271	GSWDAVCAKWQCCG-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]3C2)CC1	1938249127	QEXQOTYIMOFPED-DTORHVGOSA-N	225.292	-0.665	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1939034654	XUXNOBUVKRFNPX-KYXWUPHJSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1944298743	OLNANSBTCOMWRQ-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
O=C1C[C@@H](c2cc(O)nc(O)n2)C(=O)O1	1951890119	PCCCIIHQQJIEGN-VKHMYHEASA-N	210.145	-0.555	50	10	BBGE	
CS(=O)(=O)c1ccccc1[C@H](N)[C@H](O)C#N	1952820756	JWZMIAAXFQQMHH-SCZZXKLOSA-N	240.284	-0.026	50	10	BBGE	
CCc1nc(C)c(C(=O)NNCCO)o1	1958728216	VLVMTXLEJWOYOO-UHFFFAOYSA-N	213.237	-0.228	50	10	BBGE	
OB(O)c1csc(N2CCCC23CC3)n1	1961718867	VEHANMZKXRTKNK-UHFFFAOYSA-N	224.094	-0.044	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@](F)(CO)C1	1975527671	SRJZPLOYUUSJMH-PSASIEDQSA-N	233.287	-0.449	50	10	BBGE	
CCN1CCC[C@@H](N(C)[C@@H](C)C(=O)NN)C1	1976089456	IDFMSHDAFMSPCZ-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cccc(CN2CC(CF)C2)c1	1976235257	FUJLBGNOGHHPLV-UHFFFAOYSA-N	223.056	-0.232	50	10	BBGE	
C[C@H]1C[C@H](CCn2cc(B(O)O)cn2)CO1	1976356506	GYFJYHJHORQHHJ-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
C[C@H]1CCCN1CCn1cc(B(O)O)cn1	1977062703	QHZMYNIZJAIYCV-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@H]1CCO	1981406622	GOQUPUDJCYFJDK-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CS[C@H]1CCN(c2ncncc2B(O)O)C1	1981414936	YAVMOAPBVQRTDU-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCSC1	1981417038	WONZXDXBFBGURX-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	1982145562	NDTSQZQKRHXJRO-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)CCCCCN1CC=C[C@H]1CO	1983181310	NHBPOYOXKADYQS-JTQLQIEISA-N	227.308	-0.231	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C=CCN2)CC1	1983526137	OBTZHQKMHOFHJZ-SECBINFHSA-N	221.260	-0.609	50	10	BBGE	
CO[C@H]1CCC[C@H](N(C)C(=O)C(=O)NN)C1	1987410120	ZMJCIPBCRFVLCB-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COCC[C@@H]21	1989934096	AUHJNIULCVWBAB-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
CC(C)(C)CCC(=O)N[C@@H](CB(O)O)C(=O)O	1998137145	ILKFTBKNMRIRFX-ZETCQYMHSA-N	245.084	-0.145	50	10	BBGE	
C[C@@H]1CN(Cc2c(C(=O)NN)cnn2C)[C@@H]1C	2003506423	TZOUGBWXIWSRPB-HTQZYQBOSA-N	237.307	-0.136	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)CC12CC2	2003743996	JOTODYIVDROAJC-KXUCPTDWSA-N	239.319	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCCCNC1=O	2004249352	JSOGBZYFVSECAE-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3OCC[C@H]3C2=O)CC1	2004652084	PPBGGWHLEYWPBZ-SFYZADRCSA-N	239.275	-0.996	50	10	BBGE	
CN(c1ncccc1B(O)O)C1[C@@H]2CCC[C@@H]12	2004936324	YAJAQURDTIIAQW-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@H]32)ncc1B(O)O	2004975475	ZHZNCMHBOIEITN-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)CC1(O)CCC1	2010572073	KDUXJLVDCOWUAF-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]2[C@H]1CCN2C	2012126709	DNUDXTGSHBLDCC-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1cccnc1-n1ccnc1C(F)F	2013056258	UKJNJEVHSPJQQG-UHFFFAOYSA-N	238.990	-0.115	50	10	BBGE	
C[C@@H](COCCOCC(=O)NN)N1CCCC1	2013802675	OOOXSAUVDKSEOL-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CC(C)CN(C[C@H]1C[C@H]1C(=O)NN)C1COC1	2018180146	SJQSPRFANXHCIF-MWLCHTKSSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2[C@H]3COC[C@H]2C3)C1	2021412330	JSTRDTUARUWQKG-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
C=C[C@@]1(CO)COCCN1[C@H](C)CC(=O)NN	2022249279	FNOMJJAEKOCZJE-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2CC3(CNC3)C2)CC1	2034703110	PNTQPGMRHLJCOV-UHFFFAOYSA-N	249.314	-0.137	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2C[C@@H]2C1	2040767180	OAZLHQYNDNIWGT-JIGDXULJSA-N	247.063	-0.859	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@H]3CC(N)C[C@H]23)CC1	2050082258	QFMZYJNFJYIMGA-SEQHWMEXSA-N	249.314	-0.153	50	10	BBGE	
CN(C[C@H]1[C@H]2CCC[C@H]21)c1ncc(B(O)O)cn1	2052468718	HSVIYEOUTVUETJ-JGPRNRPPSA-N	247.107	-0.361	50	10	BBGE	
CC(C)=CCCn1cnc2c(B(O)O)ncnc21	2055735713	GWNZXSMVDMBGOD-UHFFFAOYSA-N	246.079	-0.138	50	10	BBGE	
O=Cc1c(F)ccc(B(O)O)c1[N+](=O)[O-]	2060056532	UMVWOMKTKATLGF-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COc1cc(C#N)cc(B(O)O)c1[N+](=O)[O-]	2060284631	KIUCXMQCSUDBAI-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2069651630	VXBJWLKIOORDNJ-KWQFWETISA-N	249.075	-0.413	50	10	BBGE	
CCOC[C@H](C)OCc1nscc1B(O)O	2211138333	SWTMZYHSWNZSSQ-ZETCQYMHSA-N	245.109	-0.236	50	10	BBGE	
CC=C1CN(c2nccc(B(O)O)c2F)C1	2212605191	ZEBRPTCOBHSPQP-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
CSCCCN=c1cc(B(O)O)c(C)c[nH]1	2212605570	HGCOPMFDHHFRFD-UHFFFAOYSA-N	240.137	-0.343	50	10	BBGE	
CCC=CCN=c1[nH]ccc(B(O)O)c1F	2212605573	HGFMGIWNJJNPDZ-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C(C)C	2212606561	WBFFCMPBVSEUCL-JTQLQIEISA-N	218.065	-0.169	50	10	BBGE	
C#CC1(Oc2ncc(B(O)O)cn2)CCC1	2212608686	KTMAKBNCAVTLBE-UHFFFAOYSA-N	218.021	-0.909	50	10	BBGE	
CC(C)(Nc1ncc(B(O)O)cn1)C1CC1	2212612847	PKBBBOSYAYIBDK-UHFFFAOYSA-N	221.069	-0.243	50	10	BBGE	
CC(C)[C@H](CN)Oc1cc(B(O)O)ccn1	2212613557	OMSJQXXWYXWEPE-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)CC(=O)NNC(C)=O	2214966048	YFZVPMIEHARHDO-VHSXEESVSA-N	243.307	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2C[C@@H]2C1=O	2215771227	GYODUECDYUGSGK-JLIMGVALSA-N	237.303	-0.129	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1c1ncccc1B(O)O	2217171358	AZKPSMXVPMAZLI-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1nccc(B(O)O)c1F	2217183567	JKWRTFAZHWEAMW-LURJTMIESA-N	242.059	-0.528	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)C1(N)CC1	2217187886	GMXQYYUVKMWWPA-ZCFIWIBFSA-N	240.043	-0.841	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@H]2C[C@@H]2N)cc1B(O)O	2217193270	LSSFMTQIMBLPSX-MRTMQBJTSA-N	236.080	-0.816	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCC[C@H]2F)nc1	2217198465	BNPJBHKJPDMBOD-RKDXNWHRSA-N	239.059	-0.151	50	10	BBGE	
CN(C[C@@H]1C=CCC1)c1ncc(B(O)O)cn1	2217199908	GYVNCZOORXKVOD-SECBINFHSA-N	233.080	-0.441	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncc(B(O)O)cn2)[C@@H](C)O1	2217200452	TXPBYRYETFZWSW-BHNWBGBOSA-N	237.068	-0.866	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1c1ncccc1B(O)O	2217202730	ZHMWVCHLYZGLJD-IUCAKERBSA-N	236.080	-0.889	50	10	BBGE	
CCC1(N)CC(Nc2cc(B(O)O)c(C)cn2)C1	2223649703	BYUATEYWRAMUGH-UHFFFAOYSA-N	249.123	-0.248	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@@H]1C1CC1	2223651258	WAAJNSROZPRXKF-GHMZBOCLSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(N2CC[C@]3(CCN3)C2)cc1B(O)O	2223653313	PTBNWUYNMPFCBT-GFCCVEGCSA-N	247.107	-0.988	50	10	BBGE	
C[C@]12CNC[C@@]1(COc1ccc(B(O)O)cn1)C2	2223657593	CRQIELBRAQTZNC-NWDGAFQWSA-N	248.091	-0.860	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)[C@@H](CN)C1	2223665212	DQYJQJCRXWJTPC-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)C1(B(O)O)CC1	2241669320	IBGMFBOQNRQFJI-IZLXSQMJSA-N	217.461	-0.121	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CS)(C1)OC2	2242288361	BHINBOIDRPJQIO-YUMQZZPRSA-N	202.279	-0.155	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1cscc1B(O)O	2243347145	HVGQLTSNVJEDEN-SVGQVSJJSA-N	243.068	-0.484	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)CCCCO1	2243349979	TYSJRYHVOKRSTR-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
O=C(C#CB(O)O)N(CC(F)F)CC1CC1	2243357030	QFXVPCAJTKETSA-UHFFFAOYSA-N	231.007	-0.495	50	10	BBGE	
Cc1nn(C)cc1NC(=O)[C@H]1C[C@H]1B(O)O	2243390924	DBPPOFFXDCXFRU-NKWVEPMBSA-N	223.041	-0.470	50	10	BBGE	
O=C(NC[C@@H]1CCCN1)C1CC(B(O)O)C1	2243391015	FIJPFPLYMKXWHL-HACHORDNSA-N	226.085	-0.892	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2243392805	XGIUNDLLZOCZSX-FNCVBFRFSA-N	226.085	-0.894	50	10	BBGE	
O=C(C#CB(O)O)NCC12CCC(CC1)C2	2243399406	LOTFTXMGCULMKC-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
COC[C@H]1C=CCN1C(=O)C1(B(O)O)CC1	2243409948	RWRCJUBSZMSYLB-MRVPVSSYSA-N	225.053	-0.593	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(C)(CC)C1)B(O)O	2243433617	OBGRDHXFRDGYKG-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
CC#CC(=O)NCc1cccc(B(O)O)c1	2243675620	YVDBUWSAMWFHBI-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
CCN(CCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243752322	HZAOOTGVXBSNNS-BQBZGAKWSA-N	229.041	-0.828	50	10	BBGE	
C#CCN(OC)C(=O)c1csc(B(O)O)c1	2244257448	GZHBXUVXKDGXCV-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
C[C@@H]1CCC[C@@H]1C(=O)NCCC#CB(O)O	2244545657	AKPQQJMMBIBNAQ-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H](C)[C@H]1C	2247734043	QXWAWLHYHJVJOO-NKWVEPMBSA-N	237.064	-0.252	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCCC[C@H]21)C(=O)C#CB(O)O	2247740435	KNOOCWHWDCSKIV-URLYPYJESA-N	235.092	-0.104	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ccoc1B(O)O	2247741222	WOQFHXWOYHRWGM-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccoc1B(O)O	2247748197	ZGLHCWBEIMUEME-RNFRBKRXSA-N	235.048	-0.655	50	10	BBGE	
O=C(N1CCCC12CNC2)C1(B(O)O)CCC1	2247755097	GMTBSZMBAZBCAQ-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
N#CCCNC(=O)c1cccc(F)c1B(O)O	2247759455	QQCYJHCDTPIKLU-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)cn1C	2247764270	QSDGNWTWWCZKQO-UHFFFAOYSA-N	236.080	-0.647	50	10	BBGE	
C#CC#CCNC(=O)c1cc(C)sc1B(O)O	2247790549	FCYLIBISWPXVRP-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247800192	MCAFFAXOSJVBBO-YUMQZZPRSA-N	235.052	-0.875	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2247809855	RSRRCLFAGPYNAF-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
CC(C)n1cncc1CNC(=O)C#CB(O)O	2247849078	UWVQHBPRZLOLTA-UHFFFAOYSA-N	235.052	-0.904	50	10	BBGE	
CC(C)[C@]1(O)CCCN(C(=O)C#CB(O)O)C1	2247849244	XPBCBTMTNMQCND-NSHDSACASA-N	239.080	-0.989	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247852011	NMERESSPOCMWTI-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
C=CCN(CCOC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247855041	MNFKCQSDAYMHON-AOOOYVTPSA-N	241.096	-0.100	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCCCC1	2247855044	MNPRUYKWAPGXFM-UHFFFAOYSA-N	234.064	-0.613	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1C(=O)C1(B(O)O)CC1	2247855674	WJQOKWFDKWWZGH-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)C2(B(O)O)CC2)[C@H]1C	2247877620	CFRSTEZSNGYZOY-RBXMUDONSA-N	241.096	-0.079	50	10	BBGE	
NCCC1CC(NC(=O)C2(B(O)O)CCC2)C1	2247878259	ISAFRUMQBMSTSV-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247879697	XEPRHINSXCAYCS-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CC1(CCNC(=O)C2CC(B(O)O)C2)CNC1	2247893422	RJQABMLOOGFDGW-UHFFFAOYSA-N	240.112	-0.645	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247893909	ADFFZAZQCISZGU-XWJSGITJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2CNC[C@H]21	2247900391	WKEWXUZEHPIKIY-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H](CC1CNC1)NC(=O)C1CC(B(O)O)C1	2247905610	UVZGVQZUXYPWBT-WFRXLMHJSA-N	240.112	-0.646	50	10	BBGE	
C=CCC[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248578945	PADWWWQFXHDDRE-BIIVOSGPSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H]1C[C@@]1(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588088	YRWZKRMGPGQYEE-LDWIPMOCSA-N	241.052	-0.637	50	10	BBGE	
Cc1nc(O[C@H]2C=CCCC2)ncc1B(O)O	2249273734	DRUAWKQLZADOIA-VIFPVBQESA-N	234.064	-0.048	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1cc(B(O)O)co1	2249434096	VKEHWKSDUGAFCH-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
C#CC[C@H]1CCCN1c1ncccc1B(O)O	2250002183	HYQRJRONBSPFEP-JTQLQIEISA-N	230.076	-0.247	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@@H](C2)C3)n1	2254588709	PAMCIMFTKHTVLB-DTORHVGOSA-N	248.091	-0.384	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccncc1B(O)O	2255459558	IILQJOXLJPURPP-VIFPVBQESA-N	246.075	-0.707	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C2(B(O)O)CC2)nn1	2255482420	UXFVGVUHDDZLPG-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
C#CCCCNC(=O)c1c(C)cccc1B(O)O	2255509181	IYWLMKYHMYCCBJ-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1(C)COC1	2255510681	ZIZVCAYNFAHLEF-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)n[nH]1	2255552088	GOEVJGNKZMZLPN-MTBHXBHISA-N	249.079	-0.992	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)c1ccco1	2255553904	FETAINQESMSKSD-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1cc(C(=O)N2CC3(CC3)C2)ccc1B(O)O	2255693198	QAWDAQUWVNNOAB-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@@H]3C[C@H]3C2)c(B(O)O)c1	2255734657	FFXCGKICGIRXCS-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
C#CC1(CNC(=O)c2cc(C)c(B(O)O)o2)CC1	2255786165	PNJGYGOEPSZGAT-UHFFFAOYSA-N	247.059	-0.589	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1cocc1B(O)O	2258142273	CXJVNRFLDLBFCQ-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@H]1C(=O)O	2260808135	NIKKVMAIDJICTK-DTWKUNHWSA-N	249.031	-0.974	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298374865	QQFYTITZUJAWIC-DFLMOOGLSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)[C@@H]1C[C@H]1B(O)O	2298377606	XOBNQWXVVZDGEY-PJRMJFQWSA-N	233.076	-0.524	50	10	BBGE	
O=Cc1ccc(N2CC[C@@H](F)C2)cc1B(O)O	2301453450	VZZSXWHJBIZWMC-SECBINFHSA-N	237.039	-0.273	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H](F)C1	2307204842	SOZJXCSUIRDAMI-WRXNHJIOSA-N	238.027	-0.552	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H](C)[C@H]3C2)c1B(O)O	2312066287	FBTMILSBVFBUES-FXBDTBDDSA-N	247.107	-0.443	50	10	BBGE	
C#CCN(c1cc(B(O)O)c(F)cn1)C1CCC1	2320798916	HEBPMJUXURSWNL-UHFFFAOYSA-N	248.066	-0.107	50	10	BBGE	
COC(=O)c1n[nH]c(NC=C(C#N)C#N)n1	15242908	QOUVVKFLACPIFA-UHFFFAOYSA-N	218.176	-0.066	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)CCc1ccco1	49819960	MSQZLFKYNNKNDP-SSDOTTSWSA-N	225.248	-0.293	50	10	BBGE	
CCNC(=O)COc1cccc(C(=O)NN)c1	66056673	HMCHBBOIVSHIOG-UHFFFAOYSA-N	237.259	-0.195	50	10	BBGE	
NC[C@@H]1CCN(CCCCCC(=O)NN)C1	70652461	POUALCKXOVEFGR-JTQLQIEISA-N	228.340	-0.183	50	10	BBGE	
CCn1ccn(CCCCC(=O)NN)c1=O	87667097	DTGHPUPHFAPZTP-UHFFFAOYSA-N	226.280	-0.170	50	10	BBGE	
CCOCCN(C)[C@H](C(=O)NN)C(C)C	87979980	AGHDRDZQYIOPEP-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN2CCC[C@@H]2C1	94468153	ACWXLNDZNHXUNT-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)c1ccccc1OCCn1cncn1	104113537	FVWNMEVWFFQQHE-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](C(=O)NN)C(C)C	110589082	OJJGLLCXRKSJQO-SNVBAGLBSA-N	244.339	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CCCO	124936170	UWEHPPQKLMZFOP-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H](CN(C)C(C)(C)CO)C(=O)NN	134189346	JDJFOJMQFTZTEU-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
CN(C)NC(=O)c1ccc(C#CCN)cn1	149874819	GDTNELRAVYDZAJ-UHFFFAOYSA-N	218.260	-0.402	50	10	BBGE	
OB(O)c1cnc(-c2ccccn2)nc1	198019755	ONXLKPHQBXJEMR-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
CCSSC[C@H](N)C(=O)NCC(=O)O	205759301	OHGDCZQFOLDGGR-YFKPBYRVSA-N	238.334	-0.084	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCCN2C[C@H]1C	251199281	GDZYUBXKQCJUAD-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](C)O	251358285	RURVSIQJZUHWGO-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
Cc1ccn(CC(C)(C)C(=O)NN)c(=O)n1	300910705	OSNCXQZJRJIGTO-UHFFFAOYSA-N	224.264	-0.432	50	10	BBGE	
NNC(=O)c1cccnc1Cn1cccnc1=O	302274390	DJUOJIOUESHRSO-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)O	306638682	GUXLMRAQUOWWDV-DSYKOEDSSA-N	213.237	-0.423	50	10	BBGE	
C[C@@H]1CN(C[C@@H](Cl)C#N)CC(=O)N1	307215924	DYVSPAZCOHDFFU-RQJHMYQMSA-N	201.657	-0.062	50	10	BBGE	
O=C(CCl)NCC(=O)NC(=O)CCl	307963949	AYGQBEOPWBBIMW-UHFFFAOYSA-N	227.047	-0.777	50	10	BBGE	
COC(=S)SCC(=O)NNC(C)=O	308249382	DPMZXGBBPQHPED-UHFFFAOYSA-N	222.291	-0.182	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)[C@@H](C)Cl)C(N)=O	379250792	FFPZFLQDGMHTFL-UHNVWZDZSA-N	235.671	-0.297	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C)C(C)(C)O	382785335	FFIWENCVKVAZEY-SSDOTTSWSA-N	231.296	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382977349	SIURMDLRFBTOAF-RNFRBKRXSA-N	203.286	-0.544	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C	384875777	ZJDQRJJIRJRMNM-HRDYMLBCSA-N	215.297	-0.544	50	10	BBGE	
COCC1(O)CN([C@H](C(=O)NN)C(C)(C)C)C1	395812290	LTGBZELNUZXSGT-MRVPVSSYSA-N	245.323	-0.916	50	10	BBGE	
Nc1c(B(O)O)sc2cccc(C=O)c12	396254226	KBOUHFOIXFXHLO-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CN(C)C[C@@H](O)CN1CCC(O)(C#N)CC1	685990227	MDTRVEZKHHBUAC-SNVBAGLBSA-N	227.308	-0.741	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	688489677	WTSGGAOBGLHSPP-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(C(=O)OCCl)C1	692821349	ZPWQFWCJTUAIPH-MRVPVSSYSA-N	236.655	-0.369	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1ccnn1	699018757	MOJZOLPDVYCTIV-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)[C@H](CO)C1	699488503	FMVIHVJUWFRAQA-IUCAKERBSA-N	222.716	-0.806	50	10	BBGE	
CCC[C@@]1(O)CCCN(C(=O)C(=O)NN)C1	710196952	QAYRNOCWTYEDHL-SNVBAGLBSA-N	229.280	-0.870	50	10	BBGE	
C[C@H](CN1CC[C@H](CF)C1)C(=O)NN	711448834	VVWBXWCOBMQOEI-HTQZYQBOSA-N	203.261	-0.096	50	10	BBGE	
CN(C)C(=O)N1CCc2c(B(O)O)cccc21	712145448	GDUWYNIKPSZBQA-UHFFFAOYSA-N	234.064	-0.590	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@]1(C)CO	723024167	UGUJTZHKNQWHRJ-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1[CH]SC=C1	725711622	LMVPTDMSRSXAJA-ZETCQYMHSA-N	249.080	-0.262	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	768244830	OTOGJYMTMJLHBC-PRJMDXOYSA-N	242.275	-0.670	50	10	BBGE	
CNC[C@H](C)C(=O)N1CCC(O)(C#N)CC1	821980426	FOSVJUXSOMAYJY-VIFPVBQESA-N	225.292	-0.281	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCl)CC(=O)N1C	831397978	GOSHFCOPHMOOQN-ZCFIWIBFSA-N	240.712	-0.325	50	10	BBGE	
CCOC(=O)/C(C#N)=C\N[C@H]1CCNC1=O	849173821	DLSKFBIGKPDBFM-UAPHAKCISA-N	223.232	-0.565	50	10	BBGE	
C[C@H]1COC(=O)C1=NNC(=O)c1cn(C)nn1	853383253	AYPOQILXTTWUOS-YFKPBYRVSA-N	237.219	-0.906	50	10	BBGE	
C/C=C(\CC)C(=O)NNC(=O)c1cn(C)nn1	855187737	QFZQJYLLSGJGHG-QPJJXVBHSA-N	237.263	-0.068	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NN(C)C[C@H](C)O	910185424	ZIPWUQBEQPHXHD-WCBMZHEXSA-N	243.307	-0.659	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1	932156528	HPFPVVIEPHVIHO-HTQZYQBOSA-N	238.247	-0.866	50	10	BBGE	
CO[S@](=O)Nc1cccc(B(O)O)c1	1078392270	YQMCPXUAZSBJNU-AWEZNQCLSA-N	215.039	-0.997	50	10	BBGE	
CCn1cc(Cl)c(C(=O)NNC(=O)CO)n1	1161080131	AFWSXLATUQOOHO-UHFFFAOYSA-N	246.654	-0.690	50	10	BBGE	
Cn1ncnc1C=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1261505584	PBTZSOLBDCZBNH-IWSPIJDZSA-N	249.274	-0.167	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NN(C)C(N)=O	1320953936	RVTYFGPRHBYGGP-RNFRBKRXSA-N	215.253	-0.299	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccc[n+]([O-])c2)n1	1457823921	YUMDFSPOSKJGFN-UHFFFAOYSA-N	233.231	-0.190	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2ncon2)c1	1472179356	SBUJLOPTGQCNFO-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(C=O)n1C	1540576459	PGHBUJXQNIDAIR-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
Cn1nncc1NNC(=O)c1cccn(C)c1=O	1654603278	HTOOADMNNLULLN-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CC[C@H]1O	1878137939	FHQBSXQIBKKVFU-NBZFHMRBSA-N	203.625	-0.053	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@H]1[C@@H](O)CO	1885365601	OMQXWZARESAFCM-BQBZGAKWSA-N	243.712	-0.670	50	10	BBGE	
CN(C)S(=O)(=O)C1CN(C(=O)CCl)C1	1887063931	CCSRDXOLNOKIJT-UHFFFAOYSA-N	240.712	-0.673	50	10	BBGE	
CC(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1	1891606831	JRZFUAAOKITREF-SSDOTTSWSA-N	221.087	-0.727	50	10	BBGE	
COC[C@@H](CO)NC(=O)C=CC(=O)Cl	1893410851	OUIMVRJCEBICRB-ZCFIWIBFSA-N	221.640	-0.569	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2[C@@H](O)C[C@@H]21	1894053560	GKLDUTQLLYBNGH-CIUDSAMLSA-N	213.281	-0.788	50	10	BBGE	
CN(CCCO)CCC[C@@H]1C[C@H]1C(=O)NN	1900526053	ICPVEPYQDFBTQB-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NNC(N)=O)O1	1900924079	ZSJPXWRAIQQTTA-NTSWFWBYSA-N	201.226	-0.357	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CSC1	1901205833	WAMRRFBOHAXBJK-UHFFFAOYSA-N	234.089	-0.235	50	10	BBGE	
COCCOCCCOC[C@@H](C)C(=O)NN	1901432905	JQBMIFCLYRNACD-SECBINFHSA-N	234.296	-0.318	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](CO)C1)C(=O)NN	1902712313	CQYDWBQJOFVQAF-GXSJLCMTSA-N	229.324	-0.293	50	10	BBGE	
CCN1CCCN(C[C@@H](C)C(=O)NN)C1=O	1905341256	YWWIWCKSZSZHKQ-MRVPVSSYSA-N	228.296	-0.240	50	10	BBGE	
C[C@@H]1C[C@H]1CCC(=O)N[C@H](CB(O)O)C(=O)O	1910147498	MPRVGZQEKSNGMZ-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CC(F)(F)C(=O)NN	1914257452	SUMVDDQIELYGBN-WDSKDSINSA-N	223.223	-0.933	50	10	BBGE	
Cn1nnnc1CN(CCCl)C1COC1	1915679840	BKDDJWMSYXOBTL-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
C[C@@](O)(C(=O)NNC(=O)C(F)(F)F)C1CC1	1923442136	OZAUHLOZHULSMA-ZETCQYMHSA-N	240.181	-0.143	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)c(O)n1	1927913268	HIGXIIDJJBIRIG-NKWVEPMBSA-N	210.237	-0.477	50	10	BBGE	
OB(O)c1cnn(CC2[C@H]3CCC[C@H]23)c1	1930484528	MYZSCOGQBNMEEM-IUCAKERBSA-N	206.054	-0.391	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)O	1931741898	UCCYSQZJBBRXPE-WDSKDSINSA-N	219.216	-0.330	50	10	BBGE	
O=S(=O)(CCCl)N1CC(OCCO)C1	1932100337	CIFKPUXHBRNFMC-UHFFFAOYSA-N	243.712	-0.752	50	10	BBGE	
C[C@H](Cl)C(=O)N(CCO)CCN(C)C	1934409320	ULLNBPHOXCGPDN-QMMMGPOBSA-N	222.716	-0.004	50	10	BBGE	
NNC(=O)c1nc(CN2CCCCO2)ns1	1937123993	IECDJOVAKMSFSE-UHFFFAOYSA-N	243.292	-0.331	50	10	BBGE	
O=C(Cn1cnnn1)N[C@]1(CCl)CCOC1	1937159768	MAKQZTQTOKHHEG-QMMMGPOBSA-N	245.670	-0.813	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)C1O	1941090570	PFNAEHQFCVVIJH-DOLQZWNJSA-N	241.335	-0.439	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@H]21	1945076400	YTCIEXNTJFYWTH-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
CN(C)[C@@H]1CN(CCC(=O)NN)C2(CCC2)C1	1949698224	YDAPNNFFGHXYBM-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@]12CC[C@H]1C2	1951285163	SJOKHZQWIQCRIC-WRWORJQWSA-N	232.048	-0.500	50	10	BBGE	
N#C[C@H](O)[C@@H](N)COc1ccc(CO)cc1	1952820051	CJANVYNVAALNSO-QWRGUYRKSA-N	222.244	-0.231	50	10	BBGE	
OC[C@H](F)C1CN(C[C@@H](O)CCl)C1	1953832530	MXJWGHSYJOZCBZ-YUMQZZPRSA-N	211.664	-0.152	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1COC[C@H]1O	1954239039	LQTLBSFLVVPQKC-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
CC[C@H](Cl)C(=O)NCc1nnnn1C	1955558084	IUEKRLJNJKBJSU-YFKPBYRVSA-N	217.660	-0.156	50	10	BBGE	
O=C(NCCCl)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1957253895	QEYFHGPTFQLCAK-KVSKUHBBSA-N	237.708	-0.368	50	10	BBGE	
N#CCCN(CCC(=O)NN)CC1CC1	1961233796	NPBQJINEKFQQKG-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CCCC1	1961283020	KCTQQQQUDINACL-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@](C)(C#N)C1	1961472058	IRJBZULEPAGUCY-WCBMZHEXSA-N	210.281	-0.010	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC(F)(F)[C@@H]1C(=O)O	1962266647	QFESHEAOUIEBNJ-UHNVWZDZSA-N	222.191	-0.065	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H]1CCC(=O)NC1=O	1962393732	QVKUAAONXDMLMP-RITPCOANSA-N	232.667	-0.075	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]1c1ncon1	1976760557	IKXBRFFONZTVJJ-RNFRBKRXSA-N	225.252	-0.415	50	10	BBGE	
CC(C)SCC(=O)N[C@H](CB(O)O)C(=O)O	1976981868	LQVYBWNFERDDHU-ZCFIWIBFSA-N	249.097	-0.830	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ncc(Cl)n1C	1979278928	OCIBGANTMTVUQS-ZCFIWIBFSA-N	245.714	-0.116	50	10	BBGE	
C[S@](=O)CC1CN(CCCCC(=O)NN)C1	1979475388	CIOSIVDLZHRPCX-INIZCTEOSA-N	247.364	-0.543	50	10	BBGE	
C[C@H](CC(=O)NN)N=[S@](C)(=O)N1CCCC1	1979783668	AIKZBTDZODCGQO-BCTVWOGZSA-N	248.352	-0.137	50	10	BBGE	
CN(Cc1c(C(=O)NN)cnn1C)C1CC1	1980594308	SPVUGHLMYBJUDB-UHFFFAOYSA-N	223.280	-0.382	50	10	BBGE	
CC(C)CCN(C)c1ncncc1B(O)O	1981415387	DGVBCBLGGZXXNC-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
Cc1cnc(N2CC[C@H](F)C2)c(B(O)O)c1	1981469464	STRKWEJXAKIJDN-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
C[C@@H]1COCCN(c2nc(B(O)O)cs2)C1	1981472884	USCLRLLWADWRIH-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
N#C[C@H](Cl)CN(CC(N)=O)C1CCNCC1	1982217824	ZCVBFSNYPZVAEN-QMMMGPOBSA-N	244.726	-0.343	50	10	BBGE	
COC[C@]1(C)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1982943971	IHSWVLBOZCSGCA-QXEWZRGKSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H](C)C(F)F	1986282385	QBXYFQCOZBEGQF-RNFRBKRXSA-N	239.266	-0.176	50	10	BBGE	
COC12CC(C1)N(C[C@@H]1C[C@@H]1C(=O)NN)C2	1986826828	LXYQGDGCNCRUSL-MKOUOCNOSA-N	225.292	-0.524	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@@H]1Cl	1991681318	ZLXCNDGXAHPEEF-IUCAKERBSA-N	239.467	-0.068	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CNCCCO1	1991714402	GGYOPRSICCFNAX-SGJFDWMWSA-N	246.694	-0.197	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)C12CCC2	1993528157	HOVHCOPGTHKXFW-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H](CCCl)C(=O)O)n1	1994361731	YQFJEEWKURUJRN-BYPYZUCNSA-N	247.642	-0.978	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCC[C@H](C1)C2O	2002477861	PCWXWUBURCFCFD-DHHPTOIESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1CCOCC(=O)NN	2004910654	YEKUQRJBQDPYBM-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCCO2)nc1	2004950111	BIPSLQRONDFUIB-SNVBAGLBSA-N	237.064	-0.291	50	10	BBGE	
Cc1ncnc(N2CC3(CCC3)C2)c1B(O)O	2004971638	UATHDAJDULUDKT-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@]1(O)CCOC1	2013284712	QQTNPVDPXRVANS-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	2014278427	JPLODKZMODWKDQ-AXFHLTTASA-N	240.351	-0.221	50	10	BBGE	
Cc1nc(NC(=O)C(C)(C)C)ncc1B(O)O	2015729313	GXBPBLPSUCCFEB-UHFFFAOYSA-N	237.068	-0.551	50	10	BBGE	
OB(O)c1cccc(OC[C@]23C[C@H](CO2)C3)c1	2018459155	BJXPZQDUXHCHKL-WVSHTKLVSA-N	234.060	-0.076	50	10	BBGE	
CCCCN(CCOCC(=O)NN)C1COC1	2020605449	NMCGLXWOWXBFAW-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CN1CC[C@H](OCc2cccc(B(O)O)c2)C1	2021067770	JBETUGRLRCIRIS-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
Cc1coc(C(=O)Nc2ccc(B(O)O)cn2)c1	2040769189	OSKLRIZCFDSSGX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](O)(c2ccccc2)C1	2057335140	HKRLRGIEXYWYJR-GWCFXTLKSA-N	249.314	-0.042	50	10	BBGE	
CCOc1ccc(C=O)c(OC)c1B(O)O	2060132008	UEHRXAWFEBMMLY-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCOc1cc(C)c(C=O)cc1B(O)O	2060145530	FDFFPKDJEFPTMH-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
Cn1cc(COCc2ccc(B(O)O)cc2)nn1	2080346041	HYGPKBASXBESOF-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CO[C@@H]1CN(C(=O)F)[C@@H](CO)[C@H]1OC	2209446879	WZPFOZWJAPMLDT-RRKCRQDMSA-N	207.201	-0.218	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]2Cl)c1F	2212603367	FLIARQXSDWJSKD-VDTYLAMSSA-N	244.462	-0.060	50	10	BBGE	
C#CCCCN(C)c1ccc(B(O)O)cn1	2212605904	LRKYYFMCSZHFMO-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
NC[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217199556	NFZZXHJUZAMTME-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
CCC[C@H](CCO)Nc1ncccc1B(O)O	2217201020	NQSMUPNWDWZKID-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1(CF)CCC1	2217408471	GLIHYVVKJUWRSG-UHFFFAOYSA-N	240.043	-0.937	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCn2nccc2C1	2221569157	ZHBIJSOMEWMMLK-KOLCDFICSA-N	249.318	-0.285	50	10	BBGE	
OB(O)c1cccnc1OC[C@@]12CC[C@@H](CN1)C2	2223631378	WETBSHNXPCGKKL-SKDRFNHKSA-N	248.091	-0.718	50	10	BBGE	
CCc1cnc(CNc2ncc(B(O)O)cn2)[nH]1	2223641774	WIKSHCBJFMPKKV-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
CN[C@@H]1CCCN(c2cc(B(O)O)c(C)cn2)C1	2223648004	GFPWLOMNIODGCK-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cnn(C)c1	2223648382	KLAIVIXSDVOAEE-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1cccnc1OCC1CC2(CCN2)C1	2223656685	QBPGWEZGQFMYRR-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(OC2[C@H]3CC[C@H]2CNC3)c1	2223661543	FZDIBKAYZHFUEK-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)nc1	2223675842	ZIGXSSXQJZUDIB-BEKOTUFOSA-N	245.091	-0.387	50	10	BBGE	
O=C(F)N1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2241297578	LYOBQVXFAPNBMH-DSYKOEDSSA-N	205.185	-0.464	50	10	BBGE	
CCCNC(=O)c1sccc1B(O)O	2241468393	NJIQWOKPEJMYQA-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
OB(O)c1cnn(CC(Cl)=CCl)c1	2242548196	OHJUVFNLGWZDQU-UHFFFAOYSA-N	220.852	-0.118	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC[C@@H]1CCO1	2242550267	YRABLOYNRJNWBH-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CCCCN1CC[C@]2(O)C[C@H]2C1	2242834225	QLDRMCTZCDEOLV-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)CCF)n1	2243080070	PFBAEIISLKMMCJ-UHFFFAOYSA-N	228.032	-0.824	50	10	BBGE	
COCCC1(NC(=O)C2(B(O)O)CC2)CC1	2243363250	CXCQIVXUMLJVRM-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243363530	IGPYSAVHELURHE-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1C(=O)C1(B(O)O)CC1	2243365772	RYCSCHRRGXOBEP-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@@H]2C[C@H]21	2243378110	MPFXXRKDDHLCBI-IYSWYEEDSA-N	238.077	-0.943	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCO[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2243382521	PBTNNNLFAUHXFO-ANZWQOBJSA-N	225.053	-0.857	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)[S@](C)=O	2243398921	VHAHSBGDVYVTGU-QZTNRIJFSA-N	247.125	-0.733	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@@H]2CC[C@H](C1)S2	2243400607	DVAXRZRIWFOYSR-CBLAIPOGSA-N	239.105	-0.455	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H](C)CC#N)B(O)O	2243432848	FEKZKYOTXYJPRT-QMMMGPOBSA-N	246.097	-0.882	50	10	BBGE	
O=C(Nc1cnns1)c1cocc1B(O)O	2244216172	IHDKOQYVQWMRLA-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C=CCN(OC)C(=O)c1ncsc1B(O)O	2244271407	BYOFDYBWKZXICZ-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C)CCC(=O)NN	2245132518	SOIUXLMGOANBGZ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
COc1ccc(B(O)O)c(OC2CC=CC2)n1	2247234300	ZLOSEIIHEGTTAS-UHFFFAOYSA-N	235.048	-0.133	50	10	BBGE	
CCN(CCC#N)C(=O)c1ccc(B(O)O)o1	2247738597	SJLXCTDUSCVUQH-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1ccc(B(O)O)o1	2247740690	OBCMIXKEITXESA-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
O=C(NCCCc1ncc[nH]1)C1(B(O)O)CC1	2247753013	ADCZTMVENVPSAB-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C1(F)CC1	2247756780	NVCXYAHHWZVOHW-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788117	ZMBUEBPERNEDCR-WYOJIJJFSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCOC1CCC1)[C@H]1C[C@H](B(O)O)C1	2247791402	MTXMLVSBLDTIEI-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2247803423	BAFCTAKKWWAOTR-ZOZBQHSOSA-N	238.096	-0.670	50	10	BBGE	
C[C@@H]1OCCN(C(=O)C2CC(B(O)O)C2)[C@H]1C	2247808561	VIGLYILPQTVQRK-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C2(CCC2)C1	2247809260	OKPKDRNTWOKEJR-XHNCKOQMSA-N	238.096	-0.668	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247810652	ZAWKLOAUIVYLTM-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CCC1(CC)CC(=O)N(C(=O)C#CB(O)O)C1	2247846377	FNSOOMGYYCERFO-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)C2(B(O)O)CC2)CCN1	2247855676	WJQOKWFDKWWZGH-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1occc1B(O)O	2247878520	LBCSJFWWQMONDH-MRVPVSSYSA-N	235.048	-0.368	50	10	BBGE	
Cn1cnc(CNC(=O)C2(B(O)O)CCC2)c1	2247879914	WQWXPNNOOPSCNY-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC=CCC12COC2	2247899512	NTCFZPSMWOZERA-BDAKNGLRSA-N	237.064	-0.593	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1cc(B(O)O)ccn1	2248396577	BCWRJRWHCAJZHZ-UHFFFAOYSA-N	232.048	-0.641	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248438526	GNRJBPPJJUFDIK-LPEHRKFASA-N	242.128	-0.269	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249417052	ZYRAFDHXPRJREB-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCn2cncc2C1	2249735521	CDRUCOXKHXCVLC-DTWKUNHWSA-N	235.052	-0.912	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ncc(B(O)O)cn2)C1	2255471058	NVKBAROUSSDPFW-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2CC[C@H]2C1	2255517000	RZONSICSJRLSAU-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1ccncn1	2255716713	UFFMYQWJNYRHRD-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1ccncc1B(O)O	2255725365	WHLWWSMIIIZWNF-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)c1cn[nH]c1	2255732757	AKGAQILIZNPSAY-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C/C=C/CCCNC(=O)c1ncc(B(O)O)cn1	2255768663	KNLOBQVWEYVCPB-NSCUHMNNSA-N	249.079	-0.758	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)cc1O	2255952659	WQEUYXOOFRPUIC-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255956890	IMSUTNLVQRQURZ-QMMMGPOBSA-N	249.075	-0.234	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1cc(B(O)O)co1	2258122775	HBFGGTZFDJRKHR-UFBFGSQYSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(B(O)O)co1	2258143597	SJIPIFXUAKWROB-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](O)CN(C[C@@H]1CC[C@@H]1C(=O)NN)C1CC1	2298164560	TUYYXQDPPNXWKK-YWVKMMECSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@]1(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463550	KNTUKLDNZIEGEW-DHCFDGJBSA-N	241.052	-0.924	50	10	BBGE	
C[C@H]1COCCN1CCO[C@H](C)CC(=O)NN	2300927965	ZZAGEEWEKSAJKM-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCOCCNc1ccc(B(O)O)cc1C#N	2301339581	VFFDFKIYMOMYAW-UHFFFAOYSA-N	234.064	-0.314	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2[C@H]3COC[C@H]32)C1	2303103062	CGZCORHKTFUHMP-PKIKSRDPSA-N	239.080	-0.656	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2C[C@@H]3C[C@H]3C2)C1	2303167530	QFGJFCVWWWGPRV-QXEWZRGKSA-N	238.096	-0.003	50	10	BBGE	
COc1ncc(CN(C)CC(=O)NN)cc1F	2306283773	PFEGMQHLJCPNGG-UHFFFAOYSA-N	242.254	-0.349	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@H]2[C@H](O)C3)CC1	2306284071	SFRIFUCNLMKKMK-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@H]3C=C[C@H]2C3)[nH]c1	2312612283	NKVYTWGAUPJPJX-VWYCJHECSA-N	244.103	-0.193	50	10	BBGE	
COc1cnn(-c2ccc(B(O)O)cc2C#N)c1	2317135833	LKZRRHKVVHNSEJ-UHFFFAOYSA-N	243.031	-0.568	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCO[C@H]2C[C@H]21	2317166743	YRCNLIIXDAFFFJ-NEPJUHHUSA-N	244.059	-0.784	50	10	BBGE	
O=[N+]([O-])c1cn(C[C@H](O)CCl)nn1	34301642	VDAYCKVOMOHLEH-SCSAIBSYSA-N	206.589	-0.214	50	10	BBGE	
COc1cccc(CNC(=O)C(=O)NN)c1	38078156	BSYCFQNNGCPCKM-UHFFFAOYSA-N	223.232	-0.699	50	10	BBGE	
Cn1cnc(NC(=O)CCl)cc1=O	39284500	PFGBPHYMFVDTKL-UHFFFAOYSA-N	201.613	-0.042	50	10	BBGE	
CS(=O)(=O)CC(=O)NCCCCl	69714613	KOZSBEOSPCEOTE-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC(=O)N(C)C	86313405	AACRBHULKNGRCW-SFYZADRCSA-N	230.312	-0.979	50	10	BBGE	
CN(CCOCC1CC1)CC(=O)NN	87400293	FAVNWZMMIXTCLT-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CN(CC(F)F)C[C@@H]1CC[C@H](C(=O)NN)O1	123073963	SKBCURCCJXKNCJ-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
O=C1[C@H]2CCCN2C(=O)CN1C[C@H](O)CCl	163076622	RXVALWJPEMBAKG-HTQZYQBOSA-N	246.694	-0.581	50	10	BBGE	
C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)C(=O)NN	166792125	GDZSQUCNABTKIV-PRJMDXOYSA-N	213.281	-0.131	50	10	BBGE	
CSCC(=O)NNC(=O)NC[C@@H](C)C#N	182789498	KOTOWFMLQWXQPR-LURJTMIESA-N	230.293	-0.161	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)C[C@H](C)O1	199014153	FJWWHSSJXJMTBC-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@H]1CC(=O)NN	216920765	CCHZDMAIHIUEBZ-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)C1CCC1	228568773	GRNFTTMYSUZBJU-SNVBAGLBSA-N	229.324	-0.152	50	10	BBGE	
O=C1NC[C@H]2[C@H]1CCCN2C(=O)CCl	232280713	ZUBJKAMRBSWOKO-RQJHMYQMSA-N	216.668	-0.038	50	10	BBGE	
CCN(C(C)C)[C@@H](COC)C(=O)NN	232419100	VAQDFELXNSICSR-QMMMGPOBSA-N	203.286	-0.278	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@H]1COC(=O)N1	294070659	HAYQBFVLGXVIJO-ZCFIWIBFSA-N	227.220	-0.958	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@H](O)C1	305901081	AWFZIVAEDGSPEY-QMMMGPOBSA-N	236.275	-0.748	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccncc2=O)o1	310156808	OSNRQGWERYPRPR-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
Cc1ccc(CN2CCO[C@H](C)C2)cc1B(O)O	313744751	AFXZGXZMYSLNEP-LLVKDONJSA-N	249.119	-0.104	50	10	BBGE	
NC(=O)c1ccn(C[C@@H](O)CCl)n1	379352029	ZMRDXGZXJKZKRX-YFKPBYRVSA-N	203.629	-0.418	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2C3CCC(CC3)[C@@H]2C1	383941945	OUECPUSIVWCLDV-QLEHZGMVSA-N	237.303	-0.129	50	10	BBGE	
NNC(=O)CCn1cnc2c(c1=O)CCCC2	395592201	PTNVPEFXHNMDCU-UHFFFAOYSA-N	236.275	-0.498	50	10	BBGE	
NNc1cc(OC(F)F)ccc1B(O)O	396093198	BPTVROYJCJBXLD-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCCC1(F)F	397998705	MAXUMIHHYJJTOS-YFKPBYRVSA-N	221.207	-0.330	50	10	BBGE	
C[C@@H](CNC(=O)CCCl)S(N)(=O)=O	398228024	GNMUCAZWBQKIGY-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(CCO)CC1	400962560	BZYITDJVYUIDJT-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(CCCO)C1CC1	404311046	OSYUJELGHJPRHS-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1ccc(B(O)O)cc1	404980263	NMFLTVZYKGWFCV-QMMMGPOBSA-N	237.064	-0.983	50	10	BBGE	
O=C(CC1CC1)NCc1ccc(B(O)O)s1	405004604	ODERHFGBURQSEY-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)cc1C	405004929	AXCIWRJZTWJYTF-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
CC(C)OC(=O)Nc1cccc(B(O)O)n1	405162719	HTPYOHADJVLEHD-UHFFFAOYSA-N	224.025	-0.282	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C(=O)NN)CC1	692058516	ATZKMAIMXWNNSL-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
N#CC1(O)CCN(CC(=O)N2CCC2)CC1	692089745	DOIJCEZVRMRCDT-UHFFFAOYSA-N	223.276	-0.431	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@H](C)C1	693630051	MHYNDLFGPNDOEW-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
Cc1cc(C#N)ccc1Cn1cc(B(O)O)cn1	694544650	SEVUCHNGNBLIMC-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
CCC[C@@H](OC[C@H](COC)OC)C(=O)NN	695707471	DVVCGNDNSNNDCG-DTWKUNHWSA-N	234.296	-0.177	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OCC(F)F)C1	707395546	AMMUOOBFXPQBCF-SSDOTTSWSA-N	237.250	-0.279	50	10	BBGE	
C/C(=N\NC(=O)CO)[C]1CN=CS1	725588265	BUCXNXOLFPUSSO-UHFFFAOYSA-N	200.243	-0.222	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCNC1=O	725699461	NYZGTMVUBHCOKT-WHFBIAKZSA-N	233.655	-0.672	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1[CH]SC=C1	725711718	RZKGAARAOXUYIX-SSDOTTSWSA-N	249.080	-0.262	50	10	BBGE	
CC(C)(CO)C(=O)NNC(=O)[C@]1(C)CCCO1	848160664	WGHBVDNRKAMVCI-NSHDSACASA-N	244.291	-0.279	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)c1cc[nH]n1	855354372	CLMPUCKMTWZOMT-MRVPVSSYSA-N	238.247	-0.668	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNC(=O)C1CCCC1	900173864	CXPZUZNYACGPGE-QMMMGPOBSA-N	244.291	-0.544	50	10	BBGE	
Cn1ccc(CC(=O)NNC(=O)c2cc[nH]n2)n1	1166396201	ZKSPDFSWAULUPZ-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)[C@H]1CCCO1	1324594910	YFXNUFGAMWFCMZ-MRVPVSSYSA-N	239.231	-0.457	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)N(C)C)[C@H]1CCOC1	1328183831	GKLOJQDXYJODGT-JGVFFNPUSA-N	245.279	-0.660	50	10	BBGE	
CC[C@]1(C(=O)NNc2nc[nH]n2)CCNC1=O	1457835282	INWAUOGGQHZOJP-VIFPVBQESA-N	238.251	-0.836	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1C[C@H]1CO	1877516435	RRKDVKCBPXJQGZ-WDSKDSINSA-N	203.625	-0.195	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@@H]1COC[C@H]1O	1877521377	SGWUQSVEPKMCDH-ULAWRXDQSA-N	219.668	-0.168	50	10	BBGE	
N[C@H](CBr)[C@H]1COC[C@@H]1N	1880036523	UAZXKWRFZMREKC-PBXRRBTRSA-N	209.087	-0.318	50	10	BBGE	
NC[C@H](O)C(=O)NC[C@H]1C[C@@H]1Br	1881348963	LMZCPXIUDQEKLM-SRQIZXRXSA-N	237.097	-0.794	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@H]2C[C@H]2Br)C1	1883537019	BCFPLOOXEXVVFQ-NKWVEPMBSA-N	244.088	-0.024	50	10	BBGE	
NCCN(CCN)C(=O)[C@@H]1C[C@@H]1Cl	1883646242	WYMDBVSJFOOSSB-RQJHMYQMSA-N	205.689	-0.640	50	10	BBGE	
C[C@H]1[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1883647986	TXYOBTWEKHYDHN-KXQHVCLCSA-N	203.625	-0.100	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NNC(N)=O	1884888702	DMXXZWZCGSRORN-CLTAVNFZSA-N	207.180	-0.023	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC(=NNC(N)=O)C1	1887073570	VGNXZJOSWRXILL-LURJTMIESA-N	219.266	-0.392	50	10	BBGE	
CC(C)(C)OC(=O)C[C@@H](N)C(=O)NN	1887617859	FPCGZSNRBGHMKK-RXMQYKEDSA-N	203.242	-0.965	50	10	BBGE	
C[C@]1(O)CCN(S(=O)(=O)CCl)C[C@H]1O	1894992124	OACNPFGZMOMTIA-RQJHMYQMSA-N	243.712	-0.670	50	10	BBGE	
C[C@@H](COCCO[C@@H]1CCOC1)C(=O)NN	1901437026	VBOCKCZKEVIBIC-DTWKUNHWSA-N	232.280	-0.566	50	10	BBGE	
COC[C@H](C)OC(=O)N1CC[C@H](B(O)O)C1	1902548137	HPLMWLWFYQSXFD-YUMQZZPRSA-N	231.057	-0.293	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)Cc1nc(B(O)O)cs1	1902639780	VNYYBOFWIUTRIF-SFYZADRCSA-N	240.137	-0.089	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H](F)C1(O)CNC1	1909251595	QILKAGPGBDJXCL-AHXFUIDQSA-N	236.674	-0.455	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(CC(=O)NNC(C)=O)C1	1909985012	AXVLTQPDKANZPV-RKDXNWHRSA-N	247.270	-0.788	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncccc2B(O)O)o1	1913650973	IKVBXGIDKNKEFN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@@H]1CCNC1=O	1916827240	XXTITPSUDZELTM-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@H]1CC(O)C2)C(=O)NN	1922764448	CPLBGNDIEVPYRE-UTLUCORTSA-N	241.335	-0.010	50	10	BBGE	
N#CCSCC(=O)NNC(=O)C(F)(F)F	1923407792	HGQWLGARCWEJTD-UHFFFAOYSA-N	241.194	-0.047	50	10	BBGE	
CC(C)(C)OC(=O)N(CCO)NC(=O)CO	1923448038	JUDOZXHCDMDCHF-UHFFFAOYSA-N	234.252	-0.761	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)[C@@H](C)CCO1	1929668121	MELIEFJMYRFDMT-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
Cc1nc(C(=O)NNCCO)cs1	1929833576	LRVKVEZBPQTRJN-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2C[C@H]1CO2	1932589764	VYQCLEZOLDUYSU-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
CC1(C)[C@H](C(=O)NCB(O)O)C1(F)F	1933038511	IBCRHLDZJMNIEF-BYPYZUCNSA-N	206.985	-0.594	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)[C@H]1C(=O)O	1934602693	NHVYPGPQGCJPQH-NTSWFWBYSA-N	201.226	-0.423	50	10	BBGE	
CN1CCC[C@@H](N2CC(=O)OC(=O)C2)CC1	1936016118	NCJXYNMOEXSPGC-SECBINFHSA-N	226.276	-0.144	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)[C@@H](F)C1)C(=O)NN	1936026914	RQNKMBBQZWMYAE-JGVFFNPUSA-N	233.287	-0.593	50	10	BBGE	
CCO[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936083598	JCYOGNRNRKRYKA-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@@H]1C[C@H]1C(=O)NN)C2	1936092540	UYLKWWDYEBUTHC-CKEKPRIKSA-N	225.292	-0.524	50	10	BBGE	
COC[C@H](C)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093159	BFXWTALOLYHULV-UTLUCORTSA-N	229.324	-0.173	50	10	BBGE	
CO[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936093561	FRKTVKSPUFJXSI-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CO)C(F)(F)C1	1937079904	XQZHKKOYRALEOU-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C)[C@H](C)C(=O)NN)C1	1937985637	UFSQOJVCCUVUPC-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C)N(CCO)CC1(C(=O)NN)CC1	1938249237	RNMNQXLGNVXIIZ-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](N1CC(=O)OC(=O)C1)C2	1939197663	MNFCLIFIFDJAQU-XROYCOCOSA-N	225.244	-0.061	50	10	BBGE	
C[C@]1(CO)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941085524	DJMHYEHNXRZHIT-UMNHJUIQSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)COCCOc1ccc(CO)cc1	1941772062	DEBMRCUOHYBOGL-UHFFFAOYSA-N	240.259	-0.436	50	10	BBGE	
CO[C@@H]1COC[C@H]1Oc1ccccc1B(O)O	1942933640	GFQHXPZBEBCYPV-GHMZBOCLSA-N	238.048	-0.841	50	10	BBGE	
O=C(NNCCO)[C@@H]1COc2ccccc2C1	1944216645	YLPFRAGGPDAEIG-JTQLQIEISA-N	236.271	-0.149	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2[C@H](C1)C2(F)F	1946719864	DRQFQOKOHUSGKC-YUMQZZPRSA-N	249.261	-0.420	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)CC[C@@H]1C(=O)O	1947210966	OQXZVHARSRIZSY-JGVFFNPUSA-N	245.279	-0.406	50	10	BBGE	
CS(=O)(=O)c1ncc([C@@H](O)C#N)c(O)n1	1951635223	JZPITKITTYGZTH-YFKPBYRVSA-N	229.217	-0.857	50	10	BBGE	
COc1cc([C@@H](N)[C@H](O)C#N)c(OC)nn1	1953030353	BRVBPENFSAGJLD-HTRCEHHLSA-N	224.220	-0.622	50	10	BBGE	
CC1(C)CN(C(=O)NN)CC[S@]1=O	1954018102	PALQDOOQTOIYEO-CYBMUJFWSA-N	205.283	-0.587	50	10	BBGE	
CCCOCC1CN([C@H](C)C(=O)NN)C1	1960436414	SLAXDZCWBIBBEV-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CON(C)Cc1nn(C)cc1C(=O)NN	1961176909	DXRGEMKFGWWRTL-UHFFFAOYSA-N	213.241	-0.983	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCCN2C(=O)NN)C1	1961459928	FYGZBGZUXKQFEA-RKDXNWHRSA-N	212.297	-0.014	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1nc(B(O)O)cs1)C2	1961717603	CSTKBCKSEKJZCO-RCOVLWMOSA-N	224.094	-0.331	50	10	BBGE	
CO[C@@H]1C=C[C@@H](N2CC(=O)OC(=O)C2)C1	1974715692	ZSZQRLJOCYCMDQ-HTQZYQBOSA-N	211.217	-0.285	50	10	BBGE	
Cc1cnn(-c2ncc(Cl)cc2B(O)O)c1	1981455146	WCUMWKZMTQCOLK-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)c1ccnn1C	1981560878	VHNYRBTWXJVZKN-SECBINFHSA-N	225.296	-0.129	50	10	BBGE	
C=CCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1981621008	NNZFVUCQILLLAL-ZETCQYMHSA-N	229.041	-0.615	50	10	BBGE	
CN(C)C(=O)[C@H]1CNCCN1C[C@@H](Cl)C#N	1982215744	INSYGFIZQOXYDH-DTWKUNHWSA-N	244.726	-0.521	50	10	BBGE	
NNC(=O)C(=O)N1CC2(C1)CC1(CCC1)C2	1985708088	QJBVMADNKHSYQL-UHFFFAOYSA-N	223.276	-0.231	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(CCO)C1	1987908189	UJDFRAPSJCDFEE-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1[C@@H]2CC[C@@H]12	1990771949	DLMFFVNIRTZLHY-RKDXNWHRSA-N	225.292	-0.259	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cocn1	1991326799	KRWITZBXLVFTND-ZETCQYMHSA-N	222.009	-0.495	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](O)C1(C)C	1991461240	PSZQJPPVCIDSPA-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)N(C)CC12CC(C(=O)NN)(CO1)C2	1993892071	YMENPWBSYHRCSG-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1(F)CC1	1994972281	AFUHDAOMSVLWIA-UHFFFAOYSA-N	224.000	-0.798	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3OCC[C@H]3O2)CC(=O)O1	1999558116	JUVKPVNLHFREIS-DJLDLDEBSA-N	241.243	-0.682	50	10	BBGE	
CN(c1cccnc1)c1ncncc1B(O)O	2004920675	MEIBJPDKWMEQES-UHFFFAOYSA-N	230.036	-0.681	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)CCOCC(=O)NN	2008385490	FBICQQKZXXUSPU-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@](F)(CN2CC(O)C2)CC1	2008945353	IHQCDYYPJPOPJF-JLIMDTESSA-N	245.298	-0.449	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CO[C@H]1CC1(F)F	2011546324	IGWQZZZQSOYKNP-ZETCQYMHSA-N	246.217	-0.052	50	10	BBGE	
CC1(COc2cc(F)cc(B(O)O)c2)COC1	2021346946	YRRNLPQRVPDBMA-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]1CF	2022200308	RNHWCTLAPAFPBT-JTQLQIEISA-N	237.039	-0.450	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@]12CC[C@@H]1C2	2039754927	IJCCNOKRVBXJFM-ZWNOBZJWSA-N	245.087	-0.217	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(c1ccncc1B(O)O)C2	2052494871	SDJOZNZBLNBKKM-UWVGGRQHSA-N	247.107	-0.956	50	10	BBGE	
CCc1c(C)nn(-c2ncc(B(O)O)cn2)c1C	2052597338	QBTGBRSGPHULQO-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
CCOc1cc(B(O)O)cc([N+](=O)[O-])c1F	2060120428	FKKBJZZPNYLUCY-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCc1ccc(C#N)c([N+](=O)[O-])c1B(O)O	2060281525	ORMTWNVTYUHDRR-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1nc(NC(=O)C2[C@@H]3CC[C@@H]23)ncc1B(O)O	2069481157	QGEMFPJUWXIUBK-RNFRBKRXSA-N	247.063	-0.941	50	10	BBGE	
Cc1nc(C)n(Cc2nscc2B(O)O)n1	2211136503	SKFYTJDSEUPULY-UHFFFAOYSA-N	238.081	-0.920	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H](O)[C@@H]1O	2211719329	BGXYEZYCRFBPPT-LKRDHDLWSA-N	245.706	-0.329	50	10	BBGE	
C[C@H]1CSC[C@H]1Nc1ncccc1B(O)O	2212601382	NGLXBIDKARBLNF-IONNQARKSA-N	238.121	-0.075	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H]2O)cc1B(O)O	2212603417	FXPLJQURRQQMAS-DTWKUNHWSA-N	222.053	-0.995	50	10	BBGE	
OB(O)c1cnc(NCC2[C@@H]3CC[C@@H]23)nc1	2212612084	HXNLKUPIPWEJLB-HTQZYQBOSA-N	219.053	-0.776	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1O	2216531641	FAQVFQBNEAPTDY-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](CN)COc1ncccc1B(O)O	2217165839	BQYDKCIHLQJLOJ-SECBINFHSA-N	238.096	-0.629	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Oc1ncccc1B(O)O	2217167119	QRTMGYPYOUFSFO-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
C=CCN(CC1CC1)c1ncc(B(O)O)cn1	2217175157	FIIZXCAELRRYPC-UHFFFAOYSA-N	233.080	-0.441	50	10	BBGE	
OB(O)c1cccnc1NCC1(O)CCCC1	2217177928	PFGGGASJVWCJOS-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
COCCC(C)(C)Nc1ccc(B(O)O)cn1	2217202102	HPXCNEOIUFXTMS-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
O=C(NCCC1(O)CC1)c1cccc(B(O)O)c1	2219930796	WIOBKXAMVXGVOY-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
NC[C@@H](Nc1ncccc1B(O)O)C1CCCC1	2223625277	DBILOUBAUKTNEB-LLVKDONJSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]3CC[C@H]2O3)cc1B(O)O	2223643670	YQOSOJBOCHOABI-DVVUODLYSA-N	248.091	-0.198	50	10	BBGE	
CN(C[C@@]1(C)C=CCC1)c1ncc(B(O)O)cn1	2223644203	GDOXTWNULKJBQX-LBPRGKRZSA-N	247.107	-0.051	50	10	BBGE	
Cc1cnc(N[C@@](C)(CN)C2CC2)cc1B(O)O	2223649966	GLAAHEOYACASQQ-LBPRGKRZSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cnc(N2CC=CC23CCCC3)nc1	2223669723	NROPIGVDTKMQNF-UHFFFAOYSA-N	245.091	-0.155	50	10	BBGE	
NNC(=O)COCCOC(F)(F)F	2241285743	FKWFHYTXULKEGL-UHFFFAOYSA-N	202.132	-0.471	50	10	BBGE	
COC[C@H](C)NS(=O)(=O)N1CC(Cl)C1	2241354207	UIGUIBTVXBFUDB-LURJTMIESA-N	242.728	-0.221	50	10	BBGE	
CN(C)C[C@@H](N)C(=O)N[C@H]1C[C@H](Cl)C1	2241654098	RKPBGXUZSXZAAS-BWZBUEFSSA-N	219.716	-0.239	50	10	BBGE	
C=CCN(OC)[C@@H](COC)C(=O)NN	2241804615	JROHLMZKMVOCAQ-ZETCQYMHSA-N	203.242	-0.959	50	10	BBGE	
CC(C)CCNC(=O)c1ccoc1B(O)O	2243350127	VZZUDNQIOQQUBZ-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2243361449	BIFVPOANGJKHME-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
COC[C@H](NC(=O)C1(B(O)O)CC1)C(C)C	2243365211	JIEWSJFCWAWBMC-QMMMGPOBSA-N	229.085	-0.219	50	10	BBGE	
O=C(NC1CC(F)C1)c1cc(B(O)O)cs1	2243377600	CRQPPCITLMLABV-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
CCCN(CC)C(=O)c1nscc1B(O)O	2243397455	BKKJQXRTVPVSRW-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CC[C@@]1(C)C[C@@H](NC(=O)C#CB(O)O)CO1	2243403652	AQFMIQUCGGKGPU-SCZZXKLOSA-N	225.053	-0.924	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)co1	2244214089	NGLFOAPTXAHHDV-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C=CCN(OC)C(=O)c1csc(B(O)O)c1	2244266275	AQFUSIUTWVNPND-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
O=C(NCC=CCl)c1ncccc1B(O)O	2246226914	OUUCUPACPJEBEP-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	2246598693	OHSYUDXKZBQILN-XRRXOLGASA-N	237.259	-0.993	50	10	BBGE	
CC[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CCC1	2247732890	KJZWVTMFWLGQRL-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CC(C)[C@@H](CO)CNC(=O)C1(B(O)O)CCC1	2247733712	PEFWHRZTELMZJU-SECBINFHSA-N	243.112	-0.236	50	10	BBGE	
CCOC(=O)CCNC(=O)C1(B(O)O)CCC1	2247735463	ZAMCRGKJGPLBOD-UHFFFAOYSA-N	243.068	-0.547	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@H](C1)O2)C1(B(O)O)CCC1	2247736375	VSDJOFVHARIJIE-DTORHVGOSA-N	239.080	-0.227	50	10	BBGE	
Cc1c(F)cccc1CNC(=O)C#CB(O)O	2247741025	STWNWZGKAHOGQC-UHFFFAOYSA-N	235.023	-0.234	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1c(F)cccc1B(O)O	2247760517	JIQHXSBSMZTTJI-YUMQZZPRSA-N	241.002	-0.654	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788021	YBYMLPLBSQGTCY-IMSYWVGJSA-N	243.112	-0.237	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247792728	USYKEVMFDBMHMX-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CCC(CC)N(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2247797328	INOIALRCRTWMLW-VHSXEESVSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2247805944	LIZJEAFDDKZJEU-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC(F)(F)C1	2247856627	LHXNOMLQKKGQAL-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
CCCN(O)C(=O)c1cccc(B(O)O)c1C	2247867736	LOJDUMAQGCRJCZ-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247868192	DPDCQTFCFCSMMB-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2C[C@H]2C)c1B(O)O	2247873885	NGTBOJSGBIDYPV-PSASIEDQSA-N	233.076	-0.187	50	10	BBGE	
O=C1[C@H]2CC[C@H]2CN1C(=O)C1(B(O)O)CCC1	2247878016	GYJKVXZMXDXTJY-YUMQZZPRSA-N	237.064	-0.222	50	10	BBGE	
C[C@@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CCC1	2247880248	YJSJRQLAEZMLCU-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2247898851	IDNYIBLAYXQGCL-OEZYJKACSA-N	240.112	-0.553	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247899096	KKIZUBNACROJSD-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248578513	UIURFAUSPDJIQG-PRJMDXOYSA-N	241.052	-0.685	50	10	BBGE	
O=C(Cc1ccccn1)NCCC#CB(O)O	2249999281	UGRZJHKQWQWHIV-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
Cc1ccc(CNC(=O)C2CC2)cc1B(O)O	2253235359	PVMIYRRALHGUMU-UHFFFAOYSA-N	233.076	-0.299	50	10	BBGE	
CN(C(=O)NCc1cccc(B(O)O)c1)C1CC1	2254685738	NAOXFNJELKGAPV-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1coc(B(O)O)c1	2255456093	JOUVSAUEHXZKSD-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1F	2255497990	KZYLSSOJVIGTFF-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ncccc2B(O)O)C1	2255516571	NIOUCBAPFOGLBO-BDAKNGLRSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCCC2(CC2)C1	2255549974	JGMAHVBCZUHWHF-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
COC1CN(C(=O)c2cccc(B(O)O)c2C)C1	2255734931	JUNKXVHXZPQVTP-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1O	2255955122	IYNFYJFTDLVDMC-OIBJUYFYSA-N	249.075	-0.448	50	10	BBGE	
CC/C=C\CNC(=O)c1ccc(B(O)O)cc1O	2255955559	PSSPBHLYHHDIHW-ARJAWSKDSA-N	249.075	-0.232	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1nccnc1B(O)O	2256052016	IQEQFQYNXKNCAL-HTQZYQBOSA-N	249.079	-0.925	50	10	BBGE	
COc1cc(C(=O)NCCC#CB(O)O)ccn1	2258962781	LAHBNUXCINSPRA-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
O=C(NCC[C@H]1CCCCO1)[C@H]1C[C@H]1B(O)O	2298370342	WBSWTXPTTZERMU-KXUCPTDWSA-N	241.096	-0.075	50	10	BBGE	
CC(C)[C@H]1CC(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376325	RULIRTKRMBDHGT-YIZRAAEISA-N	239.080	-0.120	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@@H]2C[C@@H]2C1=O	2300385775	XOORMEWELQHDIO-XKNYDFJKSA-N	237.303	-0.129	50	10	BBGE	
CN[C@@H](COc1ccc(B(O)O)cn1)C(C)C	2302495464	UWSXXVKIVRVPGE-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1cccc(B(O)O)c1	2302907062	IOQIBWCYJVWATO-NSHDSACASA-N	231.060	-0.441	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@]2(CO)C1)C(=O)NN	2303410838	PZHMEDGBMDSFKF-YUSALJHKSA-N	241.335	-0.293	50	10	BBGE	
CN(CCCCO)c1ccc(B(O)O)cc1C#N	2317150373	DYHRIBMRJPXYBJ-UHFFFAOYSA-N	248.091	-0.553	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317351530	JXDQJROLJLJGTE-QPUJVOFHSA-N	249.075	-0.232	50	10	BBGE	
CCOCCCNC(=O)C(C#N)=CNCCO	2324649252	PIRIXCPDPNVDPD-UHFFFAOYSA-N	241.291	-0.481	50	10	BBGE	
N[C@H](CNC(=O)C(Cl)Cl)C(=O)O	1573454	PAHYLGNCWNFZMN-UWTATZPHSA-N	215.036	-0.682	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CCCO1	82469302	TYVGXIOQIJWODK-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1C(=O)CCl	88091717	SAUWXJQRGAFNSE-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
COc1cc(CN(C)C)cc(B(O)O)c1	196671362	FXMFSZOOWFATNZ-UHFFFAOYSA-N	209.054	-0.563	50	10	BBGE	
C=CC(=O)Nc1cc(B(O)O)cc2c1OCCO2	211635466	PPSKDUAPTDIYEB-UHFFFAOYSA-N	249.031	-0.738	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H](O)CC[C@H]2C1)C(=O)NN	228125156	XDYVXNWNVQOZLQ-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc(C)cc1C	232420956	XWLOENMXWAOZDA-QMMMGPOBSA-N	212.253	-0.323	50	10	BBGE	
NCCN1CCN(C(=O)CCCl)CC1	240785208	AXHLDQAOMLZJDH-UHFFFAOYSA-N	219.716	-0.282	50	10	BBGE	
C[C@@H](CC=O)c1ccc2c(c1B(O)O)OCO2	258221554	JSIFPUUYDOCAKX-ZETCQYMHSA-N	236.032	-0.212	50	10	BBGE	
CN1C[C@@H](NC(=O)NC(=O)CCl)CC1=O	306171601	KHZQLSLJBNTDPF-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)CCl)CC1	306457799	WJDNEVFEMIAXMF-UHFFFAOYSA-N	220.656	-0.936	50	10	BBGE	
Nc1c(B(O)O)c(O)cc2ccsc12	306835545	RLGJLVWFYUJISO-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NC(=O)c1cnn(C[C@@H](O)CCl)c1	308207986	UUXGDDHWSPEALD-LURJTMIESA-N	203.629	-0.418	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(S(=O)(=O)CCl)C1	308596041	YQWHKCXLZKKLNF-RNFRBKRXSA-N	243.712	-0.406	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C)[C@@H](C)C(=O)NN	309258130	AVGFBCZQLSTDJN-SFYZADRCSA-N	230.312	-0.802	50	10	BBGE	
O=C1NCC=CN1c1ccc(B(O)O)cc1	380495933	BIJRNWPKDLNYJZ-UHFFFAOYSA-N	218.021	-0.590	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OC1CCC1	382642936	YTWSPGAEWFSXDP-UHFFFAOYSA-N	236.032	-0.004	50	10	BBGE	
CC(=O)N[C@H](CC(C)C)C(=O)B(O)O	388744976	VRKPLPWGAMYSFM-SSDOTTSWSA-N	201.031	-0.882	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cnn(C)n1	390394710	NJRNRHQACRLSSO-RXMQYKEDSA-N	246.654	-0.675	50	10	BBGE	
Nc1c(C=O)sc2c(B(O)O)cccc12	396261585	XMMWBGDVFYHVHW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@H](O)C1CCC1	396437221	AAKPGZULPHOXIW-VXGBXAGGSA-N	235.092	-0.473	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C2COCC1COC2	399915148	HZLVGAWSZNAOAP-AFWXGSBKSA-N	243.307	-0.900	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@H]1CCCO1	404997035	IJXQLMHNPWPRSL-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
NNC(=O)NCCN1CCCCC1=O	405855950	AVSDSCQUQZCBJN-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C(=O)OC[C@@H]1O	675079975	KGDMOYQOMNYRGF-WISUUJSJSA-N	207.613	-0.984	50	10	BBGE	
COC(=O)[C@@H]1CN[C@@H](CBr)CN1	689687912	KWEAYVZECPUQHL-WDSKDSINSA-N	237.097	-0.516	50	10	BBGE	
CO[C@@H](Cn1ccc(B(O)O)n1)c1ccccc1	694306647	CPQXUNKVWPOMAN-NSHDSACASA-N	246.075	-0.049	50	10	BBGE	
COCCN(CCF)[C@H](C)CC(=O)NN	697054873	JDHLURRFHIGCLN-MRVPVSSYSA-N	221.276	-0.327	50	10	BBGE	
COC[C@H](C)CC(=O)NNC(N)=S	700867073	VVSFUKXEJIJOQF-RXMQYKEDSA-N	205.283	-0.477	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)NCC1CC1	701084926	CXPBBSQTSCCVRG-UHFFFAOYSA-N	248.091	-0.424	50	10	BBGE	
COC[C@H](S[C@@H]1CCOC1)C(=O)NN	703103910	DKYZLAFWTQDUAV-RQJHMYQMSA-N	220.294	-0.487	50	10	BBGE	
Cc1cc(C)n2c(C=NNC(=O)CO)cnc2n1	776777318	OHUIBCDAMFNANF-UHFFFAOYSA-N	247.258	-0.211	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1cnn(C)n1	805204787	JNYHCPZLSKDEDY-FPLPWBNLSA-N	235.247	-0.125	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@H]1CCCS1	819666923	HWMTWNQVQNQTTG-ZCFIWIBFSA-N	213.262	-0.057	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H](N)C2CC2)CC1	821980657	LERNEERSOPMLBU-JTQLQIEISA-N	237.303	-0.009	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)C(=O)NCC	907253288	SGFDKYFWUSBDGF-NGAMADIESA-N	215.253	-0.384	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)COC	1444745919	ZIWGMKTWTAURBF-OALRPVAKSA-N	242.275	-0.056	50	10	BBGE	
COCCN(C)NC(=O)C1(O)CCC1	1449365914	FNJZFQZGIRPIEY-UHFFFAOYSA-N	202.254	-0.489	50	10	BBGE	
O=C1C[C@@H](c2c[nH]nc2[N+](=O)[O-])C(=O)O1	1535752269	JYRSSUWUKNFVTM-VKHMYHEASA-N	211.133	-0.125	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F	1567920018	UAPPYWLHCQCOAI-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1C[C@@H]1Cl	1883552168	LUZBYHJJMNPQPZ-WDSKDSINSA-N	201.661	-0.073	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@H]1C[C@@H]1Cl	1883643296	AADDNWUWZKXAQC-WDSKDSINSA-N	204.657	-0.936	50	10	BBGE	
O=C(N[C@@H]1CNCCOC1)[C@@H]1C[C@H]1Cl	1893454143	UHUXTEKEOGUVGI-BWZBUEFSSA-N	218.684	-0.282	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(CO)(CO)C1	1893460352	DYJRABVIEGJVOD-RNFRBKRXSA-N	219.668	-0.573	50	10	BBGE	
COC[C@@H]1CC[C@H](CNC(=O)C(=O)NN)C1	1895958658	NZOIJTYYVAQXSF-JGVFFNPUSA-N	229.280	-0.845	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@H]1F	1900251382	DNCKDYNKBITZLE-YWIQKCBGSA-N	231.032	-0.955	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1COCC1(C)C	1901128453	JPTJAIKRLHZOJT-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
CC(C)=C(CN1C[C@H](C)CS1(=O)=O)B(O)O	1901629298	ZWGJISFBPPAJMG-QMMMGPOBSA-N	247.125	-0.384	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CC[C@@H](B(O)O)C1	1902535009	WGXBLTYWKQEIBN-DTWKUNHWSA-N	226.085	-0.844	50	10	BBGE	
CC[C@@](C)(CN1CC(F)(C#N)C1)C(=O)NN	1902716433	RXYFPMGJAROINU-VIFPVBQESA-N	228.271	-0.060	50	10	BBGE	
C#C[C@H](C)NC(=O)c1csc(C)c1B(O)O	1902859885	MCSMXNIIGAJVFR-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)CC1(C(=O)NN)CC1	1907704338	OAFZPCXEFIVQDI-DTWKUNHWSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1[C@@H](C(=O)NN)C(C)(C)C	1914258229	HWVPUVXZKWAFJT-HLTSFMKQSA-N	229.324	-0.154	50	10	BBGE	
COC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927916478	DXSOFHGMQXAYND-JGVFFNPUSA-N	213.281	-0.667	50	10	BBGE	
COC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927916480	DXSOFHGMQXAYND-YUMQZZPRSA-N	213.281	-0.667	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2CCOC[C@@H]21	1930434369	SRWWTKXJFFVANP-HCWXCVPCSA-N	215.278	-0.867	50	10	BBGE	
CC(C)N(CCO)CC1(C(=O)NN)CC1	1931265934	XVNTYDIRTMGJMM-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
CC1(C)CCC[C@@H](CNC(=O)C(=O)NN)O1	1935782850	VHLGPDWHJGBDPE-ZETCQYMHSA-N	229.280	-0.560	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1O	1936093528	FJXWERFGDGMVKK-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2C[C@H]1CCC2(F)F	1936772569	QVSUDNOBLAMYBE-PHDIDXHHSA-N	233.218	-0.378	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1F	1938231726	BUBWRSZUMVFDJU-JGVFFNPUSA-N	231.271	-0.575	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2CCC[C@H]21	1938329108	DVLZTPWKLXOLSQ-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CC(C)(COC[C@H]1COCCO1)C(=O)NN	1939100905	LYGGNJUWQAPWKS-MRVPVSSYSA-N	232.280	-0.566	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](CO)C2(CC2)C1	1941088316	PPDUZZQYFQENFV-IVZWLZJFSA-N	239.319	-0.683	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCCCO1)C(=O)NN	1947249427	QYDDZNKZHDHQKW-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1NC(=O)NCB(O)O	1951321826	IMIFXKPUIGIVIR-SFYZADRCSA-N	214.074	-0.124	50	10	BBGE	
O=C(CCl)N[C@@H]1CCc2nncn2C1	1955448689	GGCBYZMGFGTFKL-ZCFIWIBFSA-N	214.656	-0.052	50	10	BBGE	
O=C(O)[C@]1(C[C@@H](O)CCl)CNCCO1	1956253262	WNIVHZSKCAXVRM-SVRRBLITSA-N	223.656	-0.581	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@@H]1CCCNC1=O	1956861791	KNZISCORYVGQIC-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
CONCC(=O)N1CCC(O)(C#N)CC1	1958120287	QHPFXIUDPQCQFI-UHFFFAOYSA-N	213.237	-0.986	50	10	BBGE	
O=C1C[C@H]2CCN(C[C@@H](O)CCl)C[C@H]2N1	1960159930	SIUDEQWMIBIFDY-HRDYMLBCSA-N	232.711	-0.204	50	10	BBGE	
CCN(CC)[S@@](C)(=O)=N[C@@H](C)C(=O)NN	1960616715	FUEWYEMZUXWIRK-ZIDLFYJRSA-N	236.341	-0.281	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC=C(CO)CC1	1961391308	PLIDXBAZBBRQQT-VIFPVBQESA-N	213.281	-0.621	50	10	BBGE	
CCN(C(=O)[C@H](C)Cl)[C@H]1CC(=O)NC1=O	1961459596	DEHQOJAFCHDVDY-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2C)c(B(O)O)c1	1961718117	KHPDGNLHTSVLIA-QMMMGPOBSA-N	206.054	-0.332	50	10	BBGE	
C[C@@H](CCOC(F)(F)C(=O)NN)N(C)C	1974842257	LYIZSCOZTYKFDE-LURJTMIESA-N	225.239	-0.074	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)C(F)F	1975172309	YZYOWJHBCLHQBE-RITPCOANSA-N	225.239	-0.423	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)[C@H](C)[C@@H](C)C(=O)NN	1979614825	AETMEWYRWKDQOS-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
CC(C)(CCN1CC2(CCO2)C1)C(=O)NN	1981144897	DVXGDVJHWLUTSX-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[S@](=O)C1CN(CCCCCC(=O)NN)C1	1981204985	IPGUYPOOPQZNBB-INIZCTEOSA-N	247.364	-0.401	50	10	BBGE	
C[C@@H](COc1ccccc1B(O)O)N(C)C	1983809576	QBIDFNGOZBAUBY-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CCC(F)(F)C(=O)NN	1985571744	MFRXBAALONQTQJ-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C(C)C	1985714312	CPJBKLWOAFSRBG-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1CCO[C@@H]1CC(=O)NCC=CB(O)O	1991333648	CQJREHHAJYRMCD-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
C[C@H](CN1CCC[C@@H](O)C1(C)C)C(=O)NN	1991459000	DBHZQBUSARUFAD-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)C=CC(=O)Cl)C[C@@H]1O	1991650449	NDXBMBMRCMDPKC-YUMQZZPRSA-N	246.694	-0.559	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@@H]2Cl)CCN1CCO	1991682633	LIJZTEQHLMCDMO-YUMQZZPRSA-N	246.694	-0.723	50	10	BBGE	
CN1CCC[C@@H](Oc2nc(B(O)O)cs2)C1	1992113292	IYGXBIFMOZKHIT-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1Cc2cnn(C)c2C1	2003028478	VZARZWUANRLBBK-YUMQZZPRSA-N	237.307	-0.250	50	10	BBGE	
C[C@@H]1CCCN(c2ncncc2B(O)O)CC1	2004921443	WCWHFXCMILHOCE-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CC(C)(O)[C@H]1CN(CCCC(=O)NN)CCO1	2005912032	GWOREKUSKFZDRB-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
COC[C@@H]1CN([C@@H](COC)C(=O)NN)C[C@@H]1C	2006563029	QSLQWRIGPCWYFD-GUBZILKMSA-N	245.323	-0.794	50	10	BBGE	
OB(O)c1cnccc1OCCn1cccn1	2012465196	IIBFTMPDQPZEAF-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@@H]2F)ccc1B(O)O	2014735666	QAFQJNUQDUIWHB-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)C[C@@H]1C	2014926806	SBMFPYIBVNQBTL-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@H]1CF	2014927268	YNJORLSTNIWPSE-QMMMGPOBSA-N	242.034	-0.161	50	10	BBGE	
C=C(CN(C)C[C@@]12COC[C@@H]1C2(F)F)B(O)O	2021158566	FLAFBMTVIOQEQQ-DTWKUNHWSA-N	247.050	-0.232	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cnc2c(N)ncnc21	2026923391	ALVWEFRDWOHRTJ-NTSWFWBYSA-N	249.278	-0.405	50	10	BBGE	
O=C(N1CCC1)N1CCc2cc(B(O)O)ccc21	2043146758	WEZNNDAOECUETM-UHFFFAOYSA-N	246.075	-0.445	50	10	BBGE	
OB(O)c1ccc(N2CCN(C3CC3)CC2)nc1	2052473481	SWTXSIFOGCFXPF-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
Cc1cc(N2C[C@H]3OCC[C@@H]3C2)ncc1B(O)O	2052623274	HBPXJNLTZBEZII-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1CCc2ccc(B(O)O)cc21	2055631368	MJGMUUZGMHMADY-UWVGGRQHSA-N	249.050	-0.387	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CC(C2CC2)C1	2056657631	OBZRMZYAHZYHOP-UHFFFAOYSA-N	247.107	-0.219	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1O[C@H]2C=C[C@H]1C2	2079010719	SQLAYEQTZPBKFX-IUCAKERBSA-N	245.043	-0.549	50	10	BBGE	
C#C[C@H](CC)Oc1nccc(B(O)O)c1F	2212605731	JGKYSMSPLZHASP-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
OB(O)c1ccc(NCc2ccsn2)nc1	2212610408	IHYWZVRLTXKHPT-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
O=C(NCB(O)O)[C@H]1OCC[C@@H]1C(F)(F)F	2212646068	ZWIAVUSVFICRTQ-WHFBIAKZSA-N	240.974	-0.918	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)C(=O)N1C	2216487253	HGJLOCLOLHGSBP-MRVPVSSYSA-N	240.307	-0.098	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CC1	2217176702	ZMCXLHFHXZSRBG-AOOOYVTPSA-N	235.096	-0.557	50	10	BBGE	
CNCC(C)(C)CNc1ncccc1B(O)O	2217178768	ZKTHIWGWWGNVMJ-UHFFFAOYSA-N	237.112	-0.581	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1Nc1ncc(B(O)O)cn1	2217200453	TXPBYRYETFZWSW-BKPPORCPSA-N	237.068	-0.866	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC(F)C3)C2)c1	2217203055	OXZRCINEZAYQFF-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
C[C@]1(CN)CCN(Cc2cccc(B(O)O)c2)C1	2220057334	HBPJZNKYWZTLRR-CYBMUJFWSA-N	248.135	-0.463	50	10	BBGE	
Cc1nccn1CCNc1ncccc1B(O)O	2223631947	CWUPEHMZVSQVSQ-UHFFFAOYSA-N	246.079	-0.622	50	10	BBGE	
CCc1ncc(CNc2ncccc2B(O)O)o1	2223632192	GRVOBFHHKXMUPI-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
COc1cc(Nc2ncccc2B(O)O)nn1C	2223633558	XZRGBTHOZQVCKC-UHFFFAOYSA-N	248.051	-0.753	50	10	BBGE	
O=c1cc[nH]c(CNc2ccc(B(O)O)cn2)c1	2223640228	VNCSCGUHNVVXJF-UHFFFAOYSA-N	245.047	-0.938	50	10	BBGE	
CC(C)[C@@H]1NCC[C@H]1Nc1ccc(B(O)O)cn1	2223641307	SLQNBVWONXDGDE-PWSUYJOCSA-N	249.123	-0.440	50	10	BBGE	
CN(C)CCN(CCN)C(=O)/C=C/C(=O)Cl	2243058493	CKWBXBUNRWLWGZ-ONEGZZNKSA-N	247.726	-0.343	50	10	BBGE	
O=C(NCC(F)(F)F)c1ccoc1B(O)O	2243348936	CLPGXGKLANKQAD-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@@H]2CCC[C@H]2C1	2243361493	CAWDEAFUWDVDIO-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CCO1	2243364431	XBWRHHCHOVVBEF-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
O=C(NC1CC2(COC2)C1)C1(B(O)O)CC1	2243365705	QIDXQWXJDLLDCC-UHFFFAOYSA-N	225.053	-0.711	50	10	BBGE	
O=C(c1ccc(Cl)cc1B(O)O)N1CCC1	2243366989	LUOKZTXSTRTRHZ-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCO[C@@H]2C[C@H]21	2243391597	MLAPUVRIWDTWLI-GEPGNKONSA-N	225.053	-0.761	50	10	BBGE	
C[C@@H](CCN)N(C)C(=O)C1(B(O)O)CCC1	2243409775	OPONGWYUCWKQBB-QMMMGPOBSA-N	228.101	-0.421	50	10	BBGE	
C#CCN(C(=O)C1CC(B(O)O)C1)C1CC1	2243416783	NIIKAXMBYDAGKB-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
Cc1sc(C(=O)N2CCC2)c(B(O)O)c1C	2243426737	LAYCSNJWEQFBSB-UHFFFAOYSA-N	239.105	-0.109	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CC1(C)CC1)B(O)O	2243433245	KAOZDZKJXDHGLG-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
C#CC(C)(C)C(=O)N[C@@H]1CCC=C1B(O)O	2243685704	ACDMUTXUXINOHI-SECBINFHSA-N	221.065	-0.137	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1coc(B(O)O)c1	2247734931	WGIUMQUGXSDVHW-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
CCN(C[C@@H]1CCCN1)C(=O)C1(B(O)O)CC1	2247754334	FREMAMQOPFMGTF-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1occc1B(O)O	2247757692	RYIHZIVHGKOZIP-YUMQZZPRSA-N	241.027	-0.420	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCC[C@@H]1O	2247799167	AEVXTPMCYNKZRR-KATARQTJSA-N	241.096	-0.389	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247799819	IPCVZCDOUDHZFK-KATARQTJSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247803432	BBAJJYOCYYBAAL-UTINFBMNSA-N	240.112	-0.694	50	10	BBGE	
O=C(Nc1ccc(CO)cc1)[C@H]1C[C@@H]1B(O)O	2247806914	OXHSGUWNFGJKDK-UWVGGRQHSA-N	235.048	-0.020	50	10	BBGE	
CCCO[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247849624	CHJHKXMBNPDTAP-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247851697	IMYGUGWHBOXQME-NFTFJBJSSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC[C@@]12COC[C@H]1C2)C1(B(O)O)CCC1	2247874198	KGAPARWGOKPRHZ-SCZZXKLOSA-N	239.080	-0.464	50	10	BBGE	
O=C(NCc1ccncc1)[C@H]1C[C@H](B(O)O)C1	2247887075	JZGFZYUDPZXVBH-MGCOHNPYSA-N	234.064	-0.049	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2247896868	LGIRRVKXOUHVPN-HRDYMLBCSA-N	243.112	-0.095	50	10	BBGE	
CCOCCOCCNC(=O)[C@H]1C[C@H]1B(O)O	2247899617	OTVNNTXQRXHFOA-DTWKUNHWSA-N	245.084	-0.981	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)C1CC(B(O)O)C1	2247911181	USVOQZURSMQLEO-UDNWOFFPSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2CC[C@H]2C1=O	2248081594	SRJMTUPMBRBSNG-RFZPGFLSSA-N	247.201	-0.993	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1=COCCO1	2248415732	FYKANGDHMPRPMC-MRVPVSSYSA-N	239.036	-0.908	50	10	BBGE	
O=C(O)[C@H](CCF)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586386	AEFWSIOJDAMBKN-XVMARJQXSA-N	247.031	-0.832	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)C1(B(O)O)CCC1	2249065899	DPWTXJNDZRGSDI-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
C#CC1(Nc2nccc(B(O)O)c2F)CCC1	2250666277	FAZJLJRMOIXSPL-UHFFFAOYSA-N	234.039	-0.132	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2255461243	FAYLHKRZGZKZHW-MYJAWHEDSA-N	248.091	-0.530	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1ncccc1B(O)O	2255522305	IDKOVRCMJKTQAU-UHFFFAOYSA-N	248.091	-0.154	50	10	BBGE	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]2B(O)O)cc1	2255569952	AWDQKTAXUCDYNL-WDEREUQCSA-N	248.091	-0.210	50	10	BBGE	
COc1nccc(C)c1CNC(=O)C#CB(O)O	2255673619	RHWURFSQIJLJQT-UHFFFAOYSA-N	248.047	-0.970	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1ccc(B(O)O)o1	2255713732	GUFOCEAGSGSJDA-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1coc(B(O)O)c1	2255731433	FZBOGQHAHAVQPK-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1occc1B(O)O	2255744825	LNIMKYBZEGKAPB-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1cc(B(O)O)co1	2258133688	IXMBPGIQIYLDDF-VHSXEESVSA-N	249.075	-0.122	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(B(O)O)c(OC)c1	2260906988	LSFDDGJSYMHXKC-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
CCC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298368403	BPGWHZZBAIFGRQ-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369893	IIUCIBXMDMLSHJ-YSSBGUOXSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2298376490	YTKGZDPAIZYZDA-BWTWBLBVSA-N	241.096	-0.223	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)C1CC(B(O)O)C1	2298376783	OFRBKBIIQPJZCZ-UHRRMTARSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](N)CCOc1ccc(B(O)O)cc1C#N	2301340435	DWDKDGVTQWGZCS-MRVPVSSYSA-N	234.064	-0.646	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@H]1C[C@@H]1C(=O)NN	2301395183	KDBGMPJLVXAVQN-ZJUUUORDSA-N	242.323	-0.978	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ccnnc2)C1	2303105592	PTCDWIAFIBSMFC-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2CC(C#N)C2)C1	2303149352	BDUBGXHPVUPIIV-JTQLQIEISA-N	237.068	-0.499	50	10	BBGE	
C[C@H]1[C@H](C)N(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@H]1O	2304191187	SKMVGQNORIPVLR-AJBSGBCOSA-N	241.335	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@@H](C)[C@H]1C	2304213642	SLCAMZFGOSXHIC-XKSSXDPKSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@H]2[C@@H](O)C3)CC1	2306284070	SFRIFUCNLMKKMK-GUBZILKMSA-N	239.319	-0.398	50	10	BBGE	
CN(C)c1ccc(NC(=O)C#CB(O)O)nc1	2307711596	MZQSJPFSPNPANZ-UHFFFAOYSA-N	233.036	-0.899	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)C[C@H]2CN[C@H]1C2	2317129085	JXRFKEMHZBNMRD-PTOFAABTSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1C[C@@H]1CCCCN=c1ncc(B(O)O)c[nH]1	2318769340	PMCHRMYFADEVNS-UWVGGRQHSA-N	249.123	-0.184	50	10	BBGE	
CCN(CC)S(=O)(=O)CCN=C=O	41214751	OFJRKWIEMGLAIS-UHFFFAOYSA-N	206.267	-0.006	50	10	BBGE	
CCOC(=O)CN(C)C(=O)NC(=O)CCl	49608003	JMNKJGZJNFCJAV-UHFFFAOYSA-N	236.655	-0.044	50	10	BBGE	
O=C1CC[C@@H](NS(=O)(=O)CCl)CN1	82516206	HOHZDJQEAZMTAM-RXMQYKEDSA-N	226.685	-0.619	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cnc(C#N)n1	86313831	QNBPALUZBKRCDH-PHDIDXHHSA-N	208.225	-0.663	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125795486	CQZHPCBHGLEGFP-MFDAYCCISA-N	241.335	-0.296	50	10	BBGE	
CN(CCn1cc(C(=O)NN)nn1)CC(F)F	137017015	HQVMBSZSKDEFBX-UHFFFAOYSA-N	248.237	-0.922	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@](C)(O)C1	157539142	DKTUMTZATFORKJ-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
N[C@@](CCCO)(CCCCB(O)O)C(=O)O	170185213	FCBAPPHIBJDFGQ-SECBINFHSA-N	233.073	-0.816	50	10	BBGE	
CC[C@H](C)[C@@H](NC)C(=O)N1CCC[C@@H]1B(O)O	213643047	BUAAKYSJGLRXTN-IVZWLZJFSA-N	242.128	-0.377	50	10	BBGE	
CCOC(=O)/C(C=O)=C1/NC(=O)CS1	216436458	AUEWREHIVLKODG-ALCCZGGFSA-N	215.230	-0.177	50	10	BBGE	
CC[C@@H](/C=N/NC(N)=O)[C@@](C)(O)C(=O)O	238296477	OXQLQXWQNCPHBO-VULWUVKXSA-N	217.225	-0.498	50	10	BBGE	
O=C1C[C@H]2O[C@H]1[C@@H](Br)[C@@H]2O	238719669	NCKMEAMUSJYNMT-JGWLITMVSA-N	207.023	-0.149	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H]1CS2	306463692	BOXNAJFEKBUGBM-NKWVEPMBSA-N	201.295	-0.444	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)c1c[nH]nn1	306499045	HLSNAUNLJQNQQM-XINAWCOVSA-N	216.628	-0.459	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CC[C@H]1O	306672104	ZYMRQEKWVBIGHT-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
NC(=O)CONc1nc(N)nc(CCl)n1	309025717	XVEJXFWXGQVPGO-UHFFFAOYSA-N	232.631	-0.979	50	10	BBGE	
CN1CCC(Oc2ccc(B(O)O)cn2)CC1	382564291	ATPQEBWQWWIVGR-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
NC(=O)NN=C1CCO[C@H](C(=O)O)C1	394747194	NPCSDLAAQDPUBG-YFKPBYRVSA-N	201.182	-0.726	50	10	BBGE	
CCNC(=O)N(C)Cc1ccc(B(O)O)cc1	405083459	NTVZBYUJXCDNHU-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(=NNC(=O)CO)C1	494713463	VVGHHCNWXIJQJO-UHFFFAOYSA-N	243.263	-0.298	50	10	BBGE	
C=CC[S@@](=O)CC(=O)NNC(C)=O	526865055	LBYAXTYEDSMHJP-CYBMUJFWSA-N	204.251	-0.912	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccc(B(O)O)cc1	584993490	VZZPNPYTMPKKBM-MRVPVSSYSA-N	239.055	-0.156	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H](C)C1O	688123085	UMNSLBGAMVTHKS-IUCAKERBSA-N	243.351	-0.049	50	10	BBGE	
COC[C@](C)(CO)N(C)C[C@H](O)CCl	689313858	DNBKLKKIPHOXLZ-BDAKNGLRSA-N	225.716	-0.085	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccnn1C	689551538	IGJNWMKFCOEWFX-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
C[C@H](CN(C)[C@H](CO)C(C)(C)C)C(=O)NN	689789613	UCIHRKPNGDWPEJ-RKDXNWHRSA-N	231.340	-0.049	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)c(C)c1	690070221	ZVLNLQTXTROEMD-KOLCDFICSA-N	249.075	-0.352	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cn(C)nn1	690442967	WJWBOZONJDRZGF-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
COCC[C@H](CCl)NC(=O)c1nnn(C)n1	697222218	MMJFOMIDTFGSBG-ZCFIWIBFSA-N	247.686	-0.416	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](F)C1	701809038	KAEPWQZJRQWIDG-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
O=C(COc1ccc2c(c1)CCC2)NCB(O)O	702022474	WYKNXVWPKDVYIW-UHFFFAOYSA-N	249.075	-0.318	50	10	BBGE	
C[C@H](CN1CC[C@@H](N2CCC2)C1)C(=O)NN	702300455	LZDIHWXFBCQCEA-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCl)o2)C[C@@H]1CO	705321235	YHDOYELTWUDLNV-RNFRBKRXSA-N	247.682	-0.155	50	10	BBGE	
CO[C@@H](C)COc1c(F)cccc1B(O)O	707076551	TWMJXRPTUBLBOG-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710477226	NUIWHELJYYQYRT-GWOFURMSSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](F)[C@H](F)C1	714557823	GAHYIICGZYVVCT-RNFRBKRXSA-N	207.224	-0.252	50	10	BBGE	
C[C@H](CN1CCC[C@@]1(C)CO)C(=O)NN	723000623	ROGUMWDBASNQCS-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)Nc1ccccc1	801986746	GHQHLNNXIIEKGW-UHFFFAOYSA-N	236.231	-0.285	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C1(C(F)F)CC1	843866250	XFGLXMVCXSAAJK-UHFFFAOYSA-N	236.218	-0.050	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CO[C@H](C)C2)n1C	856047027	VXUZBNLXWQOLMW-SVRRBLITSA-N	239.279	-0.008	50	10	BBGE	
Cn1nncc1NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	857272870	JDJOJSHIOWMAHB-VDAHYXPESA-N	237.263	-0.317	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)CS(C)(=O)=O)[C@H]1C	863184249	VBCOONZCKIXDCP-BQBZGAKWSA-N	248.304	-0.442	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc(OC)c1C	864993245	UBISNYBEOPLANL-UHFFFAOYSA-N	238.247	-0.028	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ncc(F)cc2F)N1	1141811072	XKPZJRDPEXXQRO-LURJTMIESA-N	242.185	-0.309	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1cnnn1C	1261772524	AEFDEXKWGKIAFE-QMMMGPOBSA-N	211.225	-0.805	50	10	BBGE	
CCNC(=O)NNC(=O)C1=C[S@](=O)CCC1	1597672512	XZWKMAMJEMPLGA-MRXNPFEDSA-N	245.304	-0.237	50	10	BBGE	
O=C1CNCC(=O)N1C[C@@H]1C[C@@H]1Cl	1883551900	KYZXGFUDOPHRPO-WDSKDSINSA-N	202.641	-0.428	50	10	BBGE	
CP(C)(=O)CN1CC(=O)OC(=O)C1	1883650569	KLDSRAPJNHYGRX-UHFFFAOYSA-N	205.150	-0.048	50	10	BBGE	
CN1CC(COC(F)(F)C(=O)NN)C1	1886370404	LGNXJVFPHOUSQH-UHFFFAOYSA-N	209.196	-0.853	50	10	BBGE	
C[S@](=O)CCN1CC[C@@](C)(B(O)O)C1	1891586882	YGYDCMOBEDOGTA-CLAHSXSESA-N	219.115	-0.696	50	10	BBGE	
C[C@@H]1C(=O)NCC(=O)N1C[C@@H]1C[C@H]1Cl	1893100613	WGVXNYTWVZBLSC-DSYKOEDSSA-N	216.668	-0.039	50	10	BBGE	
N#C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1Cl	1893453452	NCWAAIQRJXLALS-BWZBUEFSSA-N	213.668	-0.062	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1(CO)COC1	1893504826	NGLQFOAASGKTNZ-OWOJBTEDSA-N	219.624	-0.815	50	10	BBGE	
CO[C@@H](C)[C@@H](NC(=O)C(=O)NN)C(F)(F)F	1900078335	MUTQHBFDNGDKOA-IUYQGCFVSA-N	243.185	-0.942	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1C[C@H]1CN	1901339586	PVSNPLQTRRCQOD-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@@H]1CNCC1(C)C)S(C)(=O)=O	1901375841	RMGJULSIXOXCNW-ZETCQYMHSA-N	249.336	-0.845	50	10	BBGE	
CC[S@](=O)Nc1ccc(C)c(B(O)O)c1F	1905195927	SEGREZMUQUDYSJ-INIZCTEOSA-N	245.084	-0.091	50	10	BBGE	
NNC(=O)CCCCN1CC(=O)N[C@@H]2CC[C@@H]21	1906857232	RYERGSIOWBLIPJ-BDAKNGLRSA-N	240.307	-0.891	50	10	BBGE	
COC[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1=O	1912291957	AMEAHYMIJSFBLL-RKDXNWHRSA-N	243.307	-0.503	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1(O)CCC1	1914571958	QFEMHHAUJRJYPM-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@]23CCOC3)cc1	1915577262	RLDWUHHJPJBMJF-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1COC1	1915651350	UDKLQCIEYOAXMP-NKWVEPMBSA-N	201.270	-0.669	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)CCCCC(=O)NN	1916203347	XWHQRCQXJGYWNJ-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC(F)(F)C1	1936711704	DRHSTYANTRAXMK-ZETCQYMHSA-N	237.250	-0.279	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1Cl)[C@@H]1COCCO1	1939170757	HALMCTHDZPNKLK-VGMNWLOBSA-N	249.694	-0.228	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940097782	ZNYXCPMORTYNHC-KZVJFYERSA-N	223.276	-0.519	50	10	BBGE	
C[C@H]1C(=O)N(CC(F)(F)C(=O)NN)C(=O)[C@@H]1C	1940896707	WGXHNLHJADAEGF-RFZPGFLSSA-N	249.217	-0.747	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1CCOCC(=O)NN	1941784383	OMWYECIEHRLWDK-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cnc2[nH]nnc2c1	1953072725	MZSZYXSUZGRHKQ-RNFRBKRXSA-N	204.193	-0.763	50	10	BBGE	
COC[C@@]1(C(=O)CCl)CNCCO1	1954340651	JWOPALJRWVFYBY-MRVPVSSYSA-N	207.657	-0.201	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1CCCCl	1954822361	NTRINBPXHZCBTO-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CC[C@@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1956457906	JJILWHGBKHAZDY-RCNPXXIZSA-N	222.314	-0.671	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2C[C@@H]2C1	1957503726	HJNJHQFPUHKPRM-XLPZGREQSA-N	211.265	-0.377	50	10	BBGE	
ClC[C@@H]1C[C@H]1N=c1ccc2nnnn2[nH]1	1957836310	ZTGDWMFEVHPMKW-NTSWFWBYSA-N	224.655	-0.020	50	10	BBGE	
COC1CC(CCC(=O)NCB(O)O)C1	1958800030	OLEQDXPGVJNOAO-UHFFFAOYSA-N	215.058	-0.680	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@H]2C[C@H]21	1960967091	PSAKHUXXOSDQGV-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@@H]2[C@H]1CCC2(F)F	1961392787	ZMZGLPCZNLPLPZ-WISUUJSJSA-N	219.191	-0.864	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)[C@H]1C	1961695815	JOHOTDGDUHXIGJ-YUMQZZPRSA-N	206.054	-0.394	50	10	BBGE	
COC[C@]1(C)CCN1C[C@H](C)C(=O)NN	1974731470	BRMWIYKBNDMVQS-WPRPVWTQSA-N	215.297	-0.277	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COC(=O)O2)CC1	1975371990	WBQNNTJCEZFHRC-MRVPVSSYSA-N	226.232	-0.128	50	10	BBGE	
OB(O)c1cncnc1N1CC2(CCC2)C1	1981413272	DQSRUOHGENPLFM-UHFFFAOYSA-N	219.053	-0.853	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@H]32)ncc1B(O)O	1981445884	PMYRLNBSPXFIAH-IONNQARKSA-N	219.053	-0.937	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC(O)C2)C1	1981993681	RETDALADHKTXKM-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C[C@@H](C)C(=O)NN	1983802670	ZSBCQSZXJKFZBZ-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
Cn1nnnc1N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1	1983991163	SDWATMMDFRKCAL-RNJXMRFFSA-N	243.698	-0.100	50	10	BBGE	
C[C@@H]1C[C@@]1(N)C(=O)N1CCC(O)(C#N)CC1	1984165312	UWHXSSGVOKQFFO-KCJUWKMLSA-N	223.276	-0.399	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	1986733161	ZOVQEQHICKDZIC-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)NN)CO1	1986868749	USGJQFXSDADNDX-BQBZGAKWSA-N	229.280	-0.704	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1(CCO)CC1	1988601917	UKROFKJMOVENBR-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
Cc1cnccc1C(=O)NCC=CB(O)O	1991337932	PGDYKMCTLJPBPS-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
NNC(=O)C(=O)N1CCCC2(CCOCC2)C1	2004307764	WHEPQJBEIUXRMR-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
COc1cnn(-c2ccc(B(O)O)c(C)n2)c1	2005004349	DZNUBLVTEUROQA-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC=C[C@H](O)C2)C1	2010834775	HFPPLFHVCLIMLW-MXWKQRLJSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(CCO)C2)C1	2010836337	YXUQUADKOQTDLP-MWLCHTKSSA-N	241.335	-0.293	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)[C@@H]1C(C)C	2011337006	RDOWHPXZWAYAGK-KOLCDFICSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012898477	RYOPZJROVBZIAE-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012900083	RYOPZJROVBZIAE-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CCC[C@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	2013536506	YNMZKEUSXWRTIG-CSMHCCOUSA-N	240.259	-0.443	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12COC(CF)(C1)C2	2023947211	BQPJUPRZBUOVPO-PUSIOWJLSA-N	245.298	-0.185	50	10	BBGE	
OB(O)c1cncc(OCCCn2cccn2)c1	2028723178	WDSKVGARRXWJGY-UHFFFAOYSA-N	247.063	-0.573	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1[C@H]2CCC[C@H]21	2040767585	UJVRGMHOMGMOBR-BRPSZJMVSA-N	247.063	-0.859	50	10	BBGE	
Cc1nc(N2CC[C@H](C3CC3)C2)ncc1B(O)O	2052557393	SYVVBYTXMTTYHZ-JTQLQIEISA-N	247.107	-0.299	50	10	BBGE	
COc1cc(B(O)O)c(F)c([N+](=O)[O-])c1	2060101300	ZKACZZPUXHIULO-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
COc1cc(B(O)O)c(C=O)c([N+](=O)[O-])c1	2060268457	OODZBDJZFBUDLJ-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccc(=O)oc1	2076085051	PNWVMCYUOFTEQQ-VIFPVBQESA-N	249.031	-0.530	50	10	BBGE	
C[C@@H](CC(=O)NN)S[C@H]1CCNC1	2209391294	INTHTHLHWRCHEJ-BQBZGAKWSA-N	203.311	-0.150	50	10	BBGE	
C=C(C)CCCN=c1cc(B(O)O)cc[nH]1	2212604241	UWOJSPKKICRXLV-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
C=CCN(CC)c1nccc(B(O)O)c1F	2212606112	OSHDVZHGBHUEDU-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
CN(C)CCCNc1ncccc1B(O)O	2212615500	PZAPBWDOWOMJEB-UHFFFAOYSA-N	223.085	-0.875	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H](F)C1CCC1	2215254092	DBQIWIGOHNWFLY-RQJHMYQMSA-N	247.031	-0.833	50	10	BBGE	
Cc1c(CN(C)CC(=O)NN)cnn1C1CC1	2215412525	PTVZTBGEAXUXSI-UHFFFAOYSA-N	237.307	-0.052	50	10	BBGE	
CN(Cc1ncno1)C[C@H]1CC[C@@H]1C(=O)NN	2215773581	BRFGLFZKAAKNSJ-SFYZADRCSA-N	239.279	-0.483	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@@H]1CC[C@@H]1C(=O)NN	2215777375	SHRATZAJGFXNOV-VGMNWLOBSA-N	241.291	-0.750	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H](CF)C2)CCC1	2216493933	OXJSCEKUZOZBNW-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
CC[C@@H](CNc1ncccc1B(O)O)COC	2217177912	OZPDRNKPXXXOCL-VIFPVBQESA-N	238.096	-0.154	50	10	BBGE	
CCC[C@H](CN)Nc1cc(B(O)O)c(C)cn1	2217179586	MUYUVDJUILEHKJ-SECBINFHSA-N	237.112	-0.391	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCCNC2)nc1	2217185150	ULSSFUBHDMIIKQ-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
CC(C)[C@](C)(CN)Oc1cc(B(O)O)ccn1	2217189477	DRPYFXUZYKIVCY-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
CC[C@H](N)C(C)(C)Oc1cc(B(O)O)ccn1	2217191482	SMRSDUPNDVILKQ-VIFPVBQESA-N	238.096	-0.344	50	10	BBGE	
CC(C)(CN)CCOc1ccc(B(O)O)cn1	2217192639	ZEOHQONWFZMZDG-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
N[C@H](CCOc1cc(B(O)O)ccn1)C(F)F	2217195345	IVNPHIJGSACABV-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
C[C@H](O)C(C)(C)CNc1cc(B(O)O)ccn1	2217198669	DWXUFORYQORYLY-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCC[C@H]2O)c1	2217203927	BZKIONFZVQRMCH-NXEZZACHSA-N	236.080	-0.523	50	10	BBGE	
CCCN(c1ccc(B(O)O)cn1)[C@H]1CCNC1	2223632177	GNGRNWTVWGWUOZ-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC23CCOCC3)nc1	2223634638	NFDQLMSSERVRDC-SECBINFHSA-N	249.079	-0.863	50	10	BBGE	
CN(C)C[C@H]1C=CCN1c1ccc(B(O)O)cn1	2223651583	CUVAHNOXDLXJNW-LLVKDONJSA-N	247.107	-0.932	50	10	BBGE	
OB(O)c1ccnc(OCc2cccnc2)c1F	2223662314	JKGBBCPWXFILAZ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
OB(O)c1cccnc1NCCCc1cnoc1	2223679960	WTSURYCJKXSDAJ-UHFFFAOYSA-N	247.063	-0.206	50	10	BBGE	
O=C(CCl)[C@@H]1CO[C@@H]2CNC[C@@H]2O1	2241258724	HBXOVWYHXJEMHK-CSMHCCOUSA-N	205.641	-0.450	50	10	BBGE	
CCONC(=O)c1sccc1B(O)O	2241480170	FFVODVUOFBFJQC-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1	2241804263	DISAPLHVOCOXSK-WDSKDSINSA-N	218.278	-0.072	50	10	BBGE	
CCC(CC)NC(=O)c1coc(B(O)O)c1	2243346855	DPBSBULJITUWOD-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccc(B(O)O)s1	2243356913	OQXAFCLVEKCVHN-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1cc(B(O)O)cs1	2243385328	GWEHZTQLJRTESX-VDTYLAMSSA-N	243.068	-0.484	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2243397999	AIEMCSLLLAQGDV-UHFFFAOYSA-N	222.053	-0.681	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(F)(C2CC2)C1	2243404223	LBXFARRMBAJLFV-YUMQZZPRSA-N	227.044	-0.190	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(O)C(C)C	2243411189	PNAQDPULKKMQBV-UHFFFAOYSA-N	227.025	-0.492	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1csnc1B(O)O	2244147093	PPXHVGAEJSKSIJ-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
CC(C)CN(C[C@H](C)C(=O)NN)C[C@@H](C)O	2244881025	BWDGBPBWDDVRPB-VHSXEESVSA-N	231.340	-0.049	50	10	BBGE	
CN(CCCO)c1cc(B(O)O)c(Cl)cn1	2245912598	CZVRTXZDAYVTNV-UHFFFAOYSA-N	244.487	-0.767	50	10	BBGE	
Cc1cc(F)cnc1C(=O)NCC=CB(O)O	2247474025	HCNHUGKTQOQMEU-UHFFFAOYSA-N	238.027	-0.173	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2coc(B(O)O)c2)C1	2247733773	QDRJAFHNDFXFEJ-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2247739942	DEJRTYXGEOAKNW-DIYOJNKTSA-N	234.064	-0.777	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C=C[C@H]1C2	2247741414	ZGZCMJXGJJPUMY-YUMQZZPRSA-N	233.032	-0.640	50	10	BBGE	
C[C@@H](c1cccnc1)N(C)C(=O)C#CB(O)O	2247747471	NZCGMORXTRBPRK-VIFPVBQESA-N	232.048	-0.384	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2247752539	RBYIHTKNMWVYDR-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
O=C(NCCCNC1CC1)C1(B(O)O)CCC1	2247756276	SEUBEKJUUWSUON-UHFFFAOYSA-N	240.112	-0.358	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)C1(B(O)O)CC1	2247756456	NCVLVMQURDJMKA-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C[C@H]2O)C1)C1(B(O)O)CC1	2247757128	OMJSDYHAMCCRTQ-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NN2CCC2)c1	2247760793	NPMDETFAEFJTAD-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
C=C=CCCNC(=O)c1cncc(B(O)O)c1	2247774688	BFYFZFZFIIXYBV-UHFFFAOYSA-N	232.048	-0.778	50	10	BBGE	
Cc1cc(=NC(=O)[C@@H]2C[C@H]2B(O)O)cc(C)[nH]1	2247790391	GYONYEFRFRUWEN-NXEZZACHSA-N	234.064	-0.078	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)C1CC(B(O)O)C1	2247790823	JNJCONRLLTZORB-HACHORDNSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@@H]1N	2247792055	QMPMFMZYMQZGJH-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
CCn1cnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247793221	WOHRLXWXQHUIRV-BDAKNGLRSA-N	237.068	-0.618	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COCC[C@@H]21	2247800565	QFLMZCDNMHXKAA-LRHRNSLUSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1ccoc1B(O)O	2247846292	DCYCEPOAZYJSJP-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2247846830	MUWUMQUYJMDOFD-IUCAKERBSA-N	237.064	-0.266	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCOC1	2247855068	MWTKXECAIYLQIT-DKEVHCRPSA-N	241.096	-0.219	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=C(F)CC1	2247868476	UWKGIRFVAUKKJR-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
C[C@@]1(O)CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247871122	WKHWSRZJHFHLLY-PSASIEDQSA-N	241.096	-0.197	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@@H](N)C1	2247875462	YYBXSSJLLBVRTM-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
C=CCC1(NC(=O)c2occc2B(O)O)CC1	2247878722	PIWQMPSVAPBNAM-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247898817	HZXWSONZVRTQNZ-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
CC1(CO)CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247909312	HYWWHZYASPBSPU-REMFIFCHSA-N	241.096	-0.483	50	10	BBGE	
O=C(O)C1=CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2248587002	KIKDUQBKBCNVRV-SFYZADRCSA-N	239.036	-0.907	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1cc(B(O)O)co1	2249419975	NVEFKMOMOJVFRM-RXMQYKEDSA-N	244.990	-0.656	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cc(F)ccc1B(O)O	2255502255	GEZCEQDIRBUHTN-HTQZYQBOSA-N	249.050	-0.356	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cc(B(O)O)n[nH]2)CCC1	2255552402	KNVZUYKRJIORGT-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
C[C@@H]1CCC=C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2255553795	CTBHDZVXWMVJCH-VXNVDRBHSA-N	249.079	-0.826	50	10	BBGE	
CN(CCc1ccncc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2255572236	WYZPSTFNALXCSZ-MNOVXSKESA-N	248.091	-0.055	50	10	BBGE	
Nc1ccc2c(c1)CC[C@H]2NC(=O)C#CB(O)O	2255672022	ZVLOYNYGTFZQJA-LLVKDONJSA-N	244.059	-0.612	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1c1ccncc1	2255681362	RVAVYVNDNWVSHH-NSHDSACASA-N	244.059	-0.240	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)cc1O	2255952136	OYXYBDRKOXPEFB-UHFFFAOYSA-N	246.031	-0.743	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1nccnc1B(O)O	2256069542	NPXQJQBUMLGUNV-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
O=c1ncccn1Cc1c(F)cccc1B(O)O	2260996915	BODQYVDNLQNVGI-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375168	VBEPEENYYAJXLV-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
CN(C[C@H]1OCC[C@@H]1F)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375721	XODRLKFXLUBCGR-RYPBNFRJSA-N	245.059	-0.565	50	10	BBGE	
C[C@@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463481	FUWZPGREGOCMPV-MATHAZKKSA-N	241.052	-0.828	50	10	BBGE	
CN[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2299721888	QLYYPRKRFRCDPL-VGMNWLOBSA-N	240.112	-0.694	50	10	BBGE	
C[C@]1(N)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(F)F	2299952519	HYZDQLQBBQIYMD-JKMUOGBPSA-N	248.038	-0.956	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)C1(CO)CC1	2300371056	MIPILUMGDHUXSM-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2C[C@H](C1)CN2C)B(O)O	2301856917	PIVLCTQVVPVJNW-QWRGUYRKSA-N	238.140	-0.029	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303112378	RLYGYDPGIOMFGC-YWVKMMECSA-N	241.096	-0.266	50	10	BBGE	
OB(O)c1cc(N2CC3CC(C3)C2)ncc1F	2303834374	DYVVGYWMKUVBER-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1B(O)O	2312612327	QOVYIUSRWWCKFW-WYFGTUCQSA-N	244.103	-0.086	50	10	BBGE	
CCCCNC=C(C#N)C(=O)NCC(=O)O	2324946239	YYSJDVMLAIYOPT-UHFFFAOYSA-N	225.248	-0.016	50	10	BBGE	
CC1(C)[C@@H](N)CCN1Cc1cccc(B(O)O)c1	2327324420	RKGRNYLCOGCPJW-LBPRGKRZSA-N	248.135	-0.322	50	10	BBGE	
N[C@@H](CCC[C@](N)(CCl)C(=O)O)C(=O)O	26264778	GAAZDRFRBSKQJW-XNCJUZBTSA-N	238.671	-0.411	50	10	BBGE	
C[C@@H](CNCCCN(C)C)C(=O)NN	58846028	JDSOGTWEPKBXOH-QMMMGPOBSA-N	202.302	-0.846	50	10	BBGE	
CS(=O)(=O)N1CCO[C@@H](CCl)C1	88097202	NAEBJCWHUJYXPL-LURJTMIESA-N	213.686	-0.114	50	10	BBGE	
Cc1cc(=O)n(Cc2cc(C(=O)NN)no2)cn1	110579744	IBRYFGFEFMMSEZ-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
O=C(CNS(=O)(=O)CCl)N1CCCC1	161685336	UPBNDLZSHIJWKN-UHFFFAOYSA-N	240.712	-0.276	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cnn(C)c1	172081924	KGULBTBVYUUGOV-UHFFFAOYSA-N	240.263	-0.394	50	10	BBGE	
COCOCc1cccc(OC)c1B(O)O	195893130	XCFHBIVFWRWQEK-UHFFFAOYSA-N	226.037	-0.505	50	10	BBGE	
Cc1cn(-c2cncc(B(O)O)c2)cn1	203614853	SOFGFTDDKBNRMJ-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC[C@@H](C)O	220008584	PSLKAXGLMBVRHY-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
O=C1C[C@H](N2CC[C@H](Br)C2=O)CN1	229107782	AYJWBBUFLYSAJS-WDSKDSINSA-N	247.092	-0.129	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](NC(=O)OC)C1	229803258	PXVYJAULOVJRGV-SFYZADRCSA-N	244.295	-0.815	50	10	BBGE	
O=C1NC[C@@H]2[C@H]1CCCN2C[C@@H](O)CCl	232297965	DTFSPDQLZLBXHJ-DJLDLDEBSA-N	232.711	-0.204	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)C(=O)NC(=O)CCl	234344828	ARYNVFLKJQZCIJ-LURJTMIESA-N	249.698	-0.225	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@H](O)CO	235436027	PIOMBVWEIAAKSY-WHFBIAKZSA-N	226.070	-0.761	50	10	BBGE	
O=C1CN([C@H]2CCO[C@H]2C2CC2)CC(=O)O1	236407858	AJHQQRBEBDBALA-KWQFWETISA-N	225.244	-0.061	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H](O)C(F)F	236522078	AFBWMNZFRQVMDC-BYPYZUCNSA-N	237.655	-0.229	50	10	BBGE	
COc1cc(C=NO)ccc1OCC(=O)NN	254558512	KLYJRMSKXDVYJY-UHFFFAOYSA-N	239.231	-0.128	50	10	BBGE	
CCOC(=O)CC(=O)NNc1cnccn1	274724737	GJDCKRDGUQPKKT-UHFFFAOYSA-N	224.220	-0.127	50	10	BBGE	
Nc1csc2c(O)c(B(O)O)ccc12	306903108	ILKBKUDKXDRZOZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](C)(CN)C1	309482761	ZYNSNYSBTKTEOV-MWLCHTKSSA-N	228.340	-0.184	50	10	BBGE	
CC(Cn1ncccc1=O)=NNC(N)=O	383970196	NIUKNHQKIYYGJQ-UHFFFAOYSA-N	209.209	-0.713	50	10	BBGE	
C=CCNC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	393805416	AXEALFGRYCSGKM-ZCFIWIBFSA-N	247.682	-0.258	50	10	BBGE	
COc1c(CCC=O)cccc1B(O)O	396034927	VEWSKEOCBLRBPG-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CC(=O)c1ccc2oc(B(O)O)nc2c1	396115322	RPVGFAWXXKXLSE-UHFFFAOYSA-N	204.978	-0.290	50	10	BBGE	
Nc1cc(B(O)O)c2cc(C(=O)O)sc2c1	396243331	OKKJJIJJKKQYJF-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@H](C)C1	399696656	VAQJOVLLNPGXMT-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(CCO)CC1	400963360	CHECYYPYOUACPW-JTQLQIEISA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CN1CCN(CCCF)CC1)C(=O)NN	402775217	LAMKNTVMLPARBG-JTQLQIEISA-N	246.330	-0.410	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)C1CC1	404955887	XLAPKYZJTVZVHS-UHFFFAOYSA-N	225.078	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@H]1O	689820127	WYCMEWDJWWTUQJ-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](C#N)C1	693907648	OHWDMDJVJIABCQ-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCC(F)(F)C2)n1	694231045	XAPCSYPNJNIITE-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1COC	696550875	ZNAHZWXIDOOCLI-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@H](CO)C1	700399227	QYLPYOMQNZNSQR-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
CCOC1CC(CC(=O)NCB(O)O)C1	702031623	YIDHATMYJZIVIG-UHFFFAOYSA-N	215.058	-0.680	50	10	BBGE	
CCc1c(C(=O)NNC)cnc2ncnn12	704654171	FEHNJMUJOCMECH-UHFFFAOYSA-N	220.236	-0.449	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CCCCC(=O)NN	706207494	QZQVZPHDDHJFHA-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1ncc(B(O)O)s1	714577904	RGBONIJMQWMZQD-RITPCOANSA-N	240.093	-0.905	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)CCO1	720456176	ULHCCFUVBUYNCS-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cnn(C)c1	828088622	YFIABGGDYSXJRH-SSDOTTSWSA-N	235.247	-0.269	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H]1COC2(C)C)C(N)=O	831519866	RWQKBOXOBYEERE-WKEGUHRASA-N	227.264	-0.157	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNC(=O)CC1CC1	908450894	VJOORPBIMNMYOQ-MRVPVSSYSA-N	230.264	-0.934	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@]1(C#N)CCCOC1	910181180	CSGXAOIXQDIASU-ONGXEEELSA-N	241.291	-0.349	50	10	BBGE	
C=CC(C)(C)CNC(=O)NNC(=O)C(=O)OC	1228480406	XJNBKBOHNZWAMI-UHFFFAOYSA-N	243.263	-0.298	50	10	BBGE	
O=C(NNC(=O)[C@]1(O)CCOC1)C1CCCC1	1440746325	IYMYTCAUHKVXFQ-NSHDSACASA-N	242.275	-0.525	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cc(=O)cc[nH]1	1542404414	GYWOEPQIFSHOCT-UHFFFAOYSA-N	238.247	-0.271	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1nsnc1O	1567458435	FCRUNYRLWIMPSZ-UHFFFAOYSA-N	237.244	-0.183	50	10	BBGE	
COC(=O)NNC(=O)C[C@@H]1C=CS(=O)(=O)C1	1654143464	MTJXDFQHWSCQPF-LURJTMIESA-N	248.260	-0.678	50	10	BBGE	
CC(=O)N(C)NS(=O)(=O)c1c(C)noc1C	1858081568	SJIZGNWHGLVXQN-UHFFFAOYSA-N	247.276	-0.037	50	10	BBGE	
N[C@@H](CBr)[C@H]1CNCCOC1	1880234816	UUTSRKIWRLKKFN-BQBZGAKWSA-N	223.114	-0.055	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2COC[C@@H]21	1882698044	NGANWPVEJNIVQE-RQJHMYQMSA-N	225.697	-0.114	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC[C@H]2C[C@H]2Cl)C1	1883555519	XSYRLSGSQAZFEB-HXFLIBJXSA-N	204.701	-0.122	50	10	BBGE	
C[C@H](Cl)C(=O)NCCc1nnnn1C	1884749119	WXFFCPRLYIIVPA-YFKPBYRVSA-N	217.660	-0.504	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)[C@H]1C	1885870999	CEGZHQCEZOMEEW-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(C[C@@H](O)CCl)C[C@H]21	1887084455	QWKQOYICXIUSLH-BIIVOSGPSA-N	239.724	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H]1CC[C@H]1N	1887471696	KPKDUCNTXLLHFA-RNFRBKRXSA-N	217.294	-0.623	50	10	BBGE	
C#CC(C)(C)C(=O)NN(C)S(C)(=O)=O	1888561451	DBKKPDHTALQRFN-UHFFFAOYSA-N	218.278	-0.432	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CCC(=O)NN	1894049463	MVCNBBXPFFRVTF-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)CCCl)C[C@H]2N1	1896206647	ALAZHICSOTWLMP-SFYZADRCSA-N	246.694	-0.269	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2COC[C@@H]21	1896233316	SJEZQYQDKDKVJL-RQJHMYQMSA-N	235.234	-0.668	50	10	BBGE	
CN(NC(=O)[C@@H]1CC12CC(N)C2)S(C)(=O)=O	1901339041	HDTUKPAXWLWBES-CRMOQAEOSA-N	247.320	-0.964	50	10	BBGE	
CCN(C)C(=O)CN1CC[C@](C)(B(O)O)C1	1902518936	ZJKPGLJSMQOVAZ-JTQLQIEISA-N	228.101	-0.597	50	10	BBGE	
O=S1(=O)CCC(N2CC[C@H](B(O)O)C2)CC1	1902546974	TVBFBYWDPAZOOW-QMMMGPOBSA-N	247.125	-0.888	50	10	BBGE	
CCOC[C@H](C)OCc1nc(B(O)O)cs1	1902652245	FRXDJLIPJXTQOK-ZETCQYMHSA-N	245.109	-0.236	50	10	BBGE	
C[C@H]1CCCN1c1cc(B(O)O)c(F)cn1	1903010056	LJGFHCRDLZEUOO-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
CON(C[C@@H]1C[C@H]1C(=O)NN)C1CCOCC1	1906306331	JUBRQOQZHCEHDZ-WCBMZHEXSA-N	243.307	-0.345	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC[C@@H]2C[C@H]12	1909424800	OIYKAQFLAGRESB-VGMNWLOBSA-N	234.064	-0.419	50	10	BBGE	
Cc1cc(C)n(C[C@H](C)C(=O)NN)c(=O)n1	1912220949	JZJYWKAZUSQMGF-LURJTMIESA-N	224.264	-0.514	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@@H]1C	1914335193	OMZVNYKUHQYEMQ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
N#CC1=CCN(C(=O)C2=NNC(=O)CC2)CC1	1917060889	NSMSPHUTGGJSNP-UHFFFAOYSA-N	232.243	-0.065	50	10	BBGE	
Cn1nnc(CN[C@@H]2COC[C@H]2CCl)n1	1928743422	HYUGVORZZPXILB-RNFRBKRXSA-N	231.687	-0.447	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CN(C)C[C@@H]1O	1928757085	AAXMKQLGPBKORR-ACZMJKKPSA-N	206.673	-0.595	50	10	BBGE	
O=C1C[C@@H](N=c2[nH]nc(CCl)o2)C(=O)N1	1932174699	WPRQEJKMIBNHNF-GSVOUGTGSA-N	230.611	-0.943	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(CC(F)(F)C(=O)NN)C1=O	1935924476	BSOFRHUUQGYQQC-PHDIDXHHSA-N	235.234	-0.132	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936085280	PZUDITYXXQKIAH-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
OC[C@@]12CC[C@]1(CO)CN(C[C@@H](O)CCl)C2	1936636601	GETQLHJCSOSWBE-GARJFASQSA-N	249.738	-0.347	50	10	BBGE	
CON(C[C@@H]1CC[C@@H](C(=O)NN)O1)C(C)C	1937112240	AECCPERBLXTCPV-IUCAKERBSA-N	231.296	-0.204	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C(=O)N1C	1938248115	AWRJPQKGSYITIP-ZETCQYMHSA-N	226.280	-0.488	50	10	BBGE	
CCN(CCCN(C)C)C[C@H]1C[C@@H]1C(=O)NN	1941084871	ADIRYHOCEUHWOB-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CCOCC(=O)NN	1941774289	HNMMWKWFNAEXQI-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cncn1C	1944724780	GPNCPAVBERZETF-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
COC[C@@H]1CN(CC2(C(=O)NN)CC2)CCO1	1945883541	AWFYDBWCASEDJQ-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
N#CCS(=O)(=O)N1CC(Br)C1	1953326741	SITDDRRKVZQXNO-UHFFFAOYSA-N	239.094	-0.081	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1cnn[nH]1	1953965652	VCQKCWPWRPHGQP-SCSAIBSYSA-N	224.673	-0.019	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H](CO)C(=O)OC	1955560282	YKMQEQVPZQUNLY-RITPCOANSA-N	223.656	-0.346	50	10	BBGE	
CO[C@@H]1CC(F)(F)CC[C@]1(N)B(O)O	1955786018	SGRGEHQCCAMDMG-IYSWYEEDSA-N	209.001	-0.470	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCl)CC[C@H]12	1956252645	SBJHBOQNWIQCRR-BQBZGAKWSA-N	216.668	-0.180	50	10	BBGE	
O=C1NC(=O)N2CCN(CCCl)C[C@@H]12	1956856290	WNNNBXDIFPHAMX-LURJTMIESA-N	217.656	-0.539	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@H](CC)C(=O)NN	1959510525	DLRWMRHBNWCYJV-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CCO[C@H]1C[C@@H](OC)CN(C(=O)NN)C1	1960258928	MUPRFFZQSPWBRK-SFYZADRCSA-N	217.269	-0.305	50	10	BBGE	
C[C@H]1CC[C@H](CCn2ccc(B(O)O)n2)O1	1977037364	AMSYFBPNNKKPBK-DTWKUNHWSA-N	224.069	-0.480	50	10	BBGE	
CCOCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1979179927	VDHHKXXCWIMKIF-ZJUUUORDSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	1979918380	JHAZMOFCMIKIQP-IZJGZUANSA-N	227.308	-0.542	50	10	BBGE	
CN(CCC(=O)NN)Cc1c(Cl)ncn1C	1980183873	SNMJNZJVOUGDKL-UHFFFAOYSA-N	245.714	-0.115	50	10	BBGE	
C[C@H](CN1C[C@H]2CCC[C@@H]2C1=O)C(=O)NN	1980923241	SJCIUZZZEZYGMH-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
OB(O)c1cnccc1OCc1ccco1	1981429646	GTJCJJRCMHIVNW-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
Cc1nc(N2CCCCO2)ccc1B(O)O	1981472624	RYZDENLZSMUEHB-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
NNC(=O)c1sncc1CN1CC[C@H](O)C1	1981730262	MSHUPMYHLBASAK-ZETCQYMHSA-N	242.304	-0.687	50	10	BBGE	
CC[C@H](CN(C)C[C@H]1C[C@H]1C(=O)NN)OC	1987968152	QBRFQUGDICLOIH-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(F)ccc1N	1989370992	GOOUATHXFONGSS-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCSCCC1=O	1989923233	WFKSEYWAPHSNOS-YUMQZZPRSA-N	243.332	-0.422	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	1990158702	LSIQPXFKHXTUHF-ABXGFROZSA-N	223.276	-0.473	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@H]1C[C@H]1Cl	1991439728	UWAGQYSOWDYAGL-NXEZZACHSA-N	245.754	-0.023	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@H]1Cl	1991680656	SDVRHZURVYSJMJ-IYSWYEEDSA-N	240.455	-0.673	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CNC[C@@H]1C	1996966992	DSYYAVQJRUKGJE-IUCAKERBSA-N	242.323	-0.917	50	10	BBGE	
C[C@@H](CN1C(=O)CN(C2CC2)C1=O)C(=O)NN	2003829614	ZFYXCIGYVDUJBQ-LURJTMIESA-N	240.263	-0.961	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2CC[C@H]21	2004916734	PDZHWZRHIFJHEZ-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
C[C@@]1(Oc2ncc(B(O)O)cc2F)CCOC1	2004933583	JNQQJIYSXCZLLV-SNVBAGLBSA-N	241.027	-0.542	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2[C@@H](C1)C2(F)F	2004933920	BDUOVRUHGRWEKE-RNFRBKRXSA-N	240.018	-0.537	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@H]2C[C@H]2F)c1	2006989451	SYDNQAWMTVGNGT-IONNQARKSA-N	237.039	-0.029	50	10	BBGE	
CC(C)=CCn1cnc2c(B(O)O)ncnc21	2007065947	XPJKEQDXGMQDLX-UHFFFAOYSA-N	232.052	-0.528	50	10	BBGE	
CCC(=O)N1CCN([C@@H](C)CC(=O)NN)CC1	2011466416	YUDDCTUYAAFPJR-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@]1(O)CCOC1	2013284715	QQTNPVDPXRVANS-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](C2(O)CC2)C1	2013925361	IUXKEHZXIHECEY-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](C2(O)CC2)C1	2013929274	RTXLWKFGDJEQPT-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2CC(C2)C1	2014928800	LDCQQBUSYWUFQQ-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCN1C	2019219646	OYAREHQGYLXXHT-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
CO[C@H](C)CNC(=O)c1ccccc1B(O)O	2022195889	CJEXMLKHKIWFJG-MRVPVSSYSA-N	237.064	-0.869	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@]12CCC[C@@H]1C2	2040767760	XAECIXKBGHJLGB-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H](C#N)C1	2050240950	CYCGTXRPFSPJBA-MRVPVSSYSA-N	248.290	-0.631	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1cccc(B(O)O)c1	2079012640	XIELBZIIMMDOIX-VXGBXAGGSA-N	245.087	-0.105	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CC[C@@H]1CO	2209114965	BENFCSIJXVEUJP-RNFRBKRXSA-N	227.713	-0.085	50	10	BBGE	
CCN(CCCC(=O)NN)[C@H]1CCC[C@@H]1O	2210162906	CFTWZWJTQMKRRH-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CO)C2)CCC1	2212261665	JVDUNIMKXSSLLZ-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@@H](C)C(=O)NN)C1	2212383377	FSBKEFPUQVVAIF-DTWKUNHWSA-N	229.324	-0.437	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2212606797	AKYPZYKQVNOCJZ-BDAKNGLRSA-N	222.053	-0.980	50	10	BBGE	
C#CCCCCOc1cc(B(O)O)ccn1	2212606990	DIRPLDXRLHGCER-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
OB(O)c1ccnc(NCc2cnsc2)c1	2212612715	NPUGBDAVIYCFCG-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1F	2212613340	URWNIFCLAPGGEP-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CC1(C(=O)NN)CCC1	2216490832	JZPQMXUDDANHLV-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1C[C@@H]2C[C@@H]2C1	2216546590	HPZIXJUBAKMROW-DOFRTFSJSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1COCC1(F)F	2217176295	UTDYJBWGSGEZEF-SSDOTTSWSA-N	244.006	-0.793	50	10	BBGE	
CCO[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217177751	MURUVEUCAOCPFD-AOOOYVTPSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H](CCN=c1ncc(B(O)O)c[nH]1)C1CC1	2217180526	UEQIOSCWPBIGCP-QMMMGPOBSA-N	235.096	-0.574	50	10	BBGE	
CC[C@H]1CNC[C@@H]1Oc1ncccc1B(O)O	2217186303	IJWIWOITPOVFDR-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(OC(C)(C)[C@@H](C)N)cc1B(O)O	2217193889	PGKLDQBBKOENPJ-MRVPVSSYSA-N	238.096	-0.426	50	10	BBGE	
CC[C@@H](CN=c1ncc(B(O)O)c[nH]1)C(C)C	2217202431	WORRHCPBUWPQJZ-VIFPVBQESA-N	237.112	-0.328	50	10	BBGE	
C[C@]1(CN)CCCN1c1cc(B(O)O)ccn1	2217205131	UBPQKLWFYRIEHF-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
CC1(C)[C@H](O)CCN1Cc1cccc(B(O)O)c1	2220059826	SRATVLAWLUVCKD-GFCCVEGCSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCOC[C@@H]32)c1	2223627699	NCLCNCDDHHWDNY-AXFHLTTASA-N	248.091	-0.544	50	10	BBGE	
C[C@@H]1CCCN(c2cc(B(O)O)ccn2)[C@@H]1CN	2223635351	WBPQNPAMKJUPIL-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
Cc1ncc(Nc2nccc(B(O)O)c2F)cn1	2223651250	BGQNIYGMURSTGW-UHFFFAOYSA-N	248.026	-0.257	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCNC23CCC3)c1	2223659763	IRWAXPPOZRUKQZ-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
CC1(C)CC[C@H](Nc2cc(B(O)O)ccn2)CN1	2223669334	IPMMCZJPBRALMJ-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CO[C@H](C2CC2)C1	2223671811	PZTWGCQEYIXABX-KOLCDFICSA-N	248.091	-0.259	50	10	BBGE	
N[C@H]1CC[C@@H](CCN=c2cc(B(O)O)cc[nH]2)C1	2223675979	VAWBBVVHRFECBR-ONGXEEELSA-N	249.123	-0.887	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@H]1C1CCC1	2224032836	VVAACFPJSAAIGB-ONGXEEELSA-N	248.091	-0.641	50	10	BBGE	
CN(C)NC(=O)CNC[C@@H]1CCCO1	2242095604	VRUNRBPXGOHDSW-QMMMGPOBSA-N	201.270	-0.652	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccoc2B(O)O)[C@@H]1C	2243361877	IQCHXSTXPNGQSM-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccc(B(O)O)o1	2243362234	NYXXODHNIYFJBZ-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1cnco1	2243365120	IDSSOERTZACHOQ-ZCFIWIBFSA-N	224.025	-0.141	50	10	BBGE	
COC[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CC1	2243366087	XJEHDTDHQDHPCR-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CN	2243391781	OHHSKRPURPVEDG-ZKCHVHJHSA-N	228.101	-0.565	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)[C@H]1C[C@H]1B(O)O	2243392978	YWXJHBUCBAWVAW-HRDYMLBCSA-N	228.101	-0.694	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@H]1CCOC1	2243401373	QEPAOYXTMWGROF-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CC/C=C\CNC(=O)c1ccc(B(O)O)o1	2243404006	HNJWYNLLWHJZDH-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243404546	PZMVILWUABHQTJ-XHNCKOQMSA-N	228.101	-0.661	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1C[C@H]2C[C@H]2C1	2243407250	OCOLXUMMZWJRQR-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
Cc1cc(C(=O)N2CCCO2)c(B(O)O)s1	2243414812	IONZYGDMBRRPIA-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
CC#CCC(=O)Nc1ccccc1B(O)O	2243687662	ZTZKYYBLKUJBLW-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC(C)(C)C(=O)NN	2245123220	LAPDTIOMBILTBL-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccoc1B(O)O	2247740849	QHHAJWBDRYHCNQ-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
O=C(C#CB(O)O)NCc1ncoc1C(F)F	2247742093	KPRPVLNFYKVJKS-UHFFFAOYSA-N	243.962	-0.756	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C1CCC1)C(F)(F)F	2247743428	DGGKXNHRBBBRLF-MRVPVSSYSA-N	248.997	-0.151	50	10	BBGE	
CO[C@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)C1	2247746582	AZOJKRBEABLPSU-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
CCC1(N)CCN(C(=O)C2(B(O)O)CC2)CC1	2247750332	HSZOLGFUKFUELX-UHFFFAOYSA-N	240.112	-0.277	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1occc1B(O)O	2247751273	VRWLAAPSIQVRMK-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
CC1(CNC(=O)c2occc2B(O)O)CCC1	2247753548	AOCJLEMCUDRPSL-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(NCC(F)F)c1ccc(B(O)O)c(F)c1	2247760218	DOLQPIPCKUIAGY-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@H]2F)cc1B(O)O	2247760502	JAFUPXZFAMSUCQ-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2247787966	XCXVWWRMDVSERL-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(C)CCOCC1	2247790451	HNSSXDMDANFGGV-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CCc1conc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247792959	VSSULVWAEROMGL-YUMQZZPRSA-N	238.052	-0.284	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799479	DMZZSJVEQJKDKE-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
CO[C@H]1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247807013	GXYVBOHDEJFFQP-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247848208	ILJJCIYBABAXHP-HQJQHLMTSA-N	236.080	-0.530	50	10	BBGE	
CNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247860628	ZEEHYMWDHXHIRG-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCCF)c1ccc(B(O)O)cc1F	2247868391	SXKADMSMODBGBE-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	2247880332	ZGIXKJYGCDQMDF-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247888408	ZEDHASDSVSPPBJ-UTLUCORTSA-N	241.096	-0.266	50	10	BBGE	
CCCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895185	PPBCUKFIDKLXOU-SFYZADRCSA-N	243.068	-0.739	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247897507	UCGSQBATHFIBBE-IUCAKERBSA-N	241.096	-0.218	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247900256	VHEBCIPVKMLUOC-GUBZILKMSA-N	243.112	-0.141	50	10	BBGE	
O=C(CC(F)F)Nc1ncc(B(O)O)cc1F	2248251602	AMZPBVBVPBPHCJ-UHFFFAOYSA-N	247.969	-0.506	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C(=O)O	2248588301	BAHWCTBRPJSDMA-HSNKUXOKSA-N	241.052	-0.829	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]2C[C@@H]21	2249426879	AZJGBJGPQXDXII-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1cc(B(O)O)co1	2249440044	LFRRDSPAASWDTE-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2249603240	IEJBHSUWDDESGA-VLEAKVRGSA-N	241.335	-0.296	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)c(B(O)O)s2)CC1	2249995962	ZMQPGLFESRIFAD-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2249997908	BGVPMMRWVFXILX-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1ccncc1B(O)O	2255454808	SCWJYCUDGZJQHZ-MRTMQBJTSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccoc1B(O)O	2255461898	NXWMJPOCMPIFLM-OEYYVHFRSA-N	247.059	-0.656	50	10	BBGE	
CC1(CCNC(=O)c2ncc(B(O)O)cn2)CC1	2255478322	FFRFGGYJCHBXQD-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC(C#N)C1	2255497838	IMHUMXVUAGCPGS-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1c[nH]nc1B(O)O	2255555112	WKYMROWGPSEMJO-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
O=C(NCc1ccn(C2CC2)n1)[C@@H]1C[C@@H]1B(O)O	2255563614	HZAGTFITHJHRMZ-ZJUUUORDSA-N	249.079	-0.303	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)oc1B(O)O	2255572680	ALWHSTUIOICJOB-IUCAKERBSA-N	249.075	-0.108	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H](C)CC#N	2255688919	BWNBYDFNSMZNTP-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ncncc1B(O)O	2255730625	QBJQXDPBBMNTGP-LLVKDONJSA-N	249.079	-0.925	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	2255731940	NQZLNHHGMJKJKZ-XBQSJFCKSA-N	247.103	-0.038	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1occc1B(O)O	2255737907	LALWRHKGBSJXJJ-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1occc1B(O)O	2255739502	LLFNLMXVYQXXCO-SFVIPPHHSA-N	249.075	-0.122	50	10	BBGE	
C=C(C)CN(C(=O)c1c[nH]nc1B(O)O)C1CC1	2255789594	JPWYVGDNEBXLGS-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2cocc2B(O)O)C1	2258152083	YQXVTHQRNCPZQH-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165083	BYBNXZGMFCWZFJ-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2298367913	BGACACLHPGZXJS-CIUDSAMLSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298463613	OSTFZBNIYPUDNW-HSNKUXOKSA-N	241.052	-0.829	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1CC1(C(=O)NN)CC1	2299338898	WMLHPNUEMMDPPQ-VHSXEESVSA-N	239.319	-0.232	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C(=O)COC1=O	2300375674	WMHSPAYRONLEAQ-RNFRBKRXSA-N	241.247	-0.629	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ncc(B(O)O)cc1F	2302908956	ZGKLLPAUVZUIMI-ZETCQYMHSA-N	236.011	-0.585	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C#N)N2CC[C@H]1C2	2303227755	IPNRTQJEEMFGKJ-IVZWLZJFSA-N	237.307	-0.963	50	10	BBGE	
COCCCCCN(C)CC(=O)NNC(C)=O	2303262351	ZHCYWRJDRHYDIO-UHFFFAOYSA-N	245.323	-0.098	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)c(F)cn1)C(C)(C)N	2303847268	GKEKJFRYTJTXEC-ZCFIWIBFSA-N	241.075	-0.562	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1cc(B(O)O)c(F)cn1	2303847346	HVQNYVSZTPNNHL-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
CCOC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303853665	WPSNTJQBSXFXDH-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1CC[C@@H]2C[C@H]12	2308623607	GFODFMMWYQMCEI-VGMNWLOBSA-N	246.075	-0.254	50	10	BBGE	
OC[C@@H]1C[C@@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2312612477	ZSPFJWLGDNILQB-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
C#C[C@H]1N(c2cc(B(O)O)c(F)cn2)CC1(C)C	2320795736	YHMUXXINSUSIHN-SNVBAGLBSA-N	248.066	-0.252	50	10	BBGE	
C[C@H](C(=O)NN)N1C(=O)c2ccccc2C1=O	3071071	JZAIKXBZCRODBA-ZCFIWIBFSA-N	233.227	-0.339	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C(=O)NN)cc1	36948127	HPCGRJBPRAVEHW-UHFFFAOYSA-N	221.260	-0.057	50	10	BBGE	
CCOC(=O)CN1CCN[C@H](Cl)C1=O	54967615	ZBLLBWVWBSIPIG-ZETCQYMHSA-N	220.656	-0.454	50	10	BBGE	
O=C1CC[C@@H](CNS(=O)(=O)CCl)N1	70681489	WODUTKBRMGAEPB-YFKPBYRVSA-N	226.685	-0.619	50	10	BBGE	
CC(C)OC[C@H]1CC[C@@H](C(=O)NN)O1	82463765	VWTQVICLGJSNLS-SFYZADRCSA-N	202.254	-0.051	50	10	BBGE	
O=C1NS(=O)(=O)[C@H](Cl)[C@@H]1Cl	138429985	XEBQKSJHNWDZHD-LWMBPPNESA-N	204.034	-0.382	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCC[C@@H]1O	158248850	JQEYGROASRHDOL-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1C(=O)NC	211781910	ZXRXWPADZRQSIW-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
O=C(CBr)N1CC(CO)C1	227259796	XIUQIYHWPIFZHH-UHFFFAOYSA-N	208.055	-0.168	50	10	BBGE	
O=C(NCCCl)N[C@H]1CCNC1=O	238566066	XDEGJYASYGVPEC-YFKPBYRVSA-N	205.645	-0.587	50	10	BBGE	
N#CC1=C(CNC2CC2)S(=O)(=O)N=C1	259999835	CPWZNENEDOGPCS-UHFFFAOYSA-N	211.246	-0.070	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1C[C@@H]2C[C@H]2C1	307238792	OYRLOKRCKBHSRP-UWVGGRQHSA-N	235.067	-0.043	50	10	BBGE	
CS(=O)(=O)CCN1CCOC[C@@H](Cl)C1	307544707	WTEFXLFFQIVGOO-QMMMGPOBSA-N	241.740	-0.029	50	10	BBGE	
NCCn1cc(-c2cccc(B(O)O)c2)cn1	310235586	RHHKIVDJVPZOFL-UHFFFAOYSA-N	231.064	-0.811	50	10	BBGE	
Cc1cn(Cc2cccc(B(O)O)c2)ccc1=O	311237225	UOHGXUPIUUBANZ-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)[C@@H]1C[C@H]1C	381433421	XIJGQNJAUVEHJT-BWZBUEFSSA-N	213.281	-0.227	50	10	BBGE	
COC1(C)CN(Cc2nc(C(=O)NN)co2)C1	382614707	ONDRLZFFMOBSSV-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
C[C@H](Cl)C(=O)c1c(C=O)cccc1B(O)O	396050245	CNQDLCXAKSAMEA-LURJTMIESA-N	240.451	-0.011	50	10	BBGE	
COC(=O)c1cc(CCC=O)cc(B(O)O)c1	396140971	XWBKVAGMNYWFDL-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1COC(C)(C)C1	396564521	VDVGVQYLGWYUMH-SFYZADRCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(CCCC(=O)NN)C1	398862228	WLDPAESAXSBXST-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(C)c(B(O)O)c1	405133937	IJAOEVGRGQKTKF-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
OB(O)c1cnn([C@@H]2C[C@H]3CC[C@H]2C3)c1	575597736	VBAZWZATFRCDGG-OYNCUSHFSA-N	206.054	-0.076	50	10	BBGE	
N#Cc1ccc(N2CC[C@H](B(O)O)C2)nc1N	585078478	DYJDHDOYLBJKBS-QMMMGPOBSA-N	232.052	-0.411	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1C[C@H]1OC	689961789	QXNXPMCALXQPKC-FSDSQADBSA-N	235.667	-0.082	50	10	BBGE	
CN[C@@H](C)C(=O)N1CCC(O)(C#N)CC1	692113051	HLRSUGZLPUEJFB-QMMMGPOBSA-N	211.265	-0.529	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@]1(C)CO	694663806	XSCUOKSARKNIDN-PSASIEDQSA-N	215.297	-0.683	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708052150	UTOZOKDWEPNKDY-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](CO)C1	708124357	LUKPVORUVJMFAG-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCOC[C@@H](O)CN1CCC(O)(C#N)CC1	709390603	MFFLYSUJULSDFN-JTQLQIEISA-N	228.292	-0.266	50	10	BBGE	
CN1CC[C@@H]1CNS(=O)(=O)CCCl	710290428	YGHQNOHPBZOENW-SSDOTTSWSA-N	226.729	-0.151	50	10	BBGE	
O=C(NC1CC1)N1Cc2cccc(B(O)O)c2C1	713283435	IMCQGUWVAUCBAB-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@H](C1=O)C2(F)F	715571121	WXZMKVXRLPSHHG-POYBYMJQSA-N	247.245	-0.130	50	10	BBGE	
C[C@H](Cl)C(=O)NCCN1CCNC1=O	722407322	WPZRXHKXTYUHRK-LURJTMIESA-N	219.672	-0.245	50	10	BBGE	
NC(=S)NNC(=O)c1ccnc(Cl)n1	723330039	YNJQSRLQMCJGOY-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
O=C(NCB(O)O)[C]1CSC=C1Cl	725602343	ZBNGTWUEOOKLRK-UHFFFAOYSA-N	220.466	-0.484	50	10	BBGE	
CN1C[C@@H](C(=O)NNC(=O)C(C)(C)C)NC1=O	822252823	PEDZWVLKDBVUSZ-LURJTMIESA-N	242.279	-0.797	50	10	BBGE	
COCC1(C(=O)NNc2nnc(C)n2C)CC1	856047078	XDVMSZZGIHKIGZ-UHFFFAOYSA-N	239.279	-0.007	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1C[C@@H](CO)[C@@H](O)C1	1161336956	RCZJCFOAYORVRP-GOPXOUGQSA-N	240.259	-0.758	50	10	BBGE	
C#CC(=O)NNC(=O)Cc1ccccn1	1333717638	BKBNZOLJIOIISS-UHFFFAOYSA-N	203.201	-0.595	50	10	BBGE	
CCCn1cc(C(=O)NNC(=O)CO)c(C)n1	1457735518	UERZIZXJIBHRRO-UHFFFAOYSA-N	240.263	-0.645	50	10	BBGE	
Cc1ncncc1C(=O)NNc1nc[nH]n1	1638766903	JAVNSFZCVYVOCI-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
C=C[C@H](O)C(=O)NN=c1cc[nH]c(C)c1	1641981863	SVHRINVLPHGIBU-VIFPVBQESA-N	207.233	-0.198	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@@H]1Br	1877375045	GFNDMORCYIVJID-WHFBIAKZSA-N	232.085	-0.173	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NN	1879978706	LYDSTSCPYKYMQD-ZCFIWIBFSA-N	233.268	-0.748	50	10	BBGE	
CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880029444	BTEGYBLZMQZGHV-ZETCQYMHSA-N	246.311	-0.569	50	10	BBGE	
CCS(=O)(=O)CC(=O)NCCCl	1881123734	HMQIDHFKRHCXEH-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](Br)C2)CC(=O)N1	1882559316	TWEHAECNHFROPR-OLQVQODUSA-N	247.092	-0.129	50	10	BBGE	
CN(CC(N)=O)C(=O)C=CC(=O)Cl	1883626139	BOXAIHRBDOEKRG-UHFFFAOYSA-N	204.613	-0.748	50	10	BBGE	
NNC(=O)COCCS[C@H]1CC[C@H]1N	1887486444	RNBCELCJDDTMSB-RQJHMYQMSA-N	219.310	-0.784	50	10	BBGE	
C[C@@H](CCl)CN1CCNC(=O)C1=O	1891994169	MIJACSFGAJYARG-LURJTMIESA-N	204.657	-0.180	50	10	BBGE	
Cc1nonc1CN1CC[C@@](C)(B(O)O)C1	1902517565	JJXWAISRGSNEAJ-SECBINFHSA-N	225.057	-0.183	50	10	BBGE	
CN(C)CCCOCc1nc(B(O)O)cs1	1902659038	XSLISMBMAMUQGR-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CN(CCC(N)=O)C[C@@H]1CC[C@H](C(=O)NN)C1	1908358547	OVZQZMKGBNTMEW-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC[C@@H]2C[C@H]2C)n1	1910813145	BCBHQAOHASEAMZ-MUWHJKNJSA-N	236.080	-0.192	50	10	BBGE	
CCN(C[C@@H](O)CCl)S(C)(=O)=O	1913817605	OTRPYPVRGIEBBW-LURJTMIESA-N	215.702	-0.132	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC(F)(F)C(=O)NN	1914260416	SUMVDDQIELYGBN-PHDIDXHHSA-N	223.223	-0.933	50	10	BBGE	
CN(CCOC1CC1)CCC(=O)NN	1914553085	XOFDHVJEMWBONV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CC[C@H](O)C1	1923209276	QLBHUPPWULSZJM-WHFBIAKZSA-N	240.181	-0.143	50	10	BBGE	
CN1CCC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923411161	RGHIJFIUYTWQCZ-YFKPBYRVSA-N	239.197	-0.210	50	10	BBGE	
CC(C)(F)COc1cncc(B(O)O)c1	1927782009	PEFSGHJBGJNFST-UHFFFAOYSA-N	213.017	-0.112	50	10	BBGE	
CC(C)([C@@H]1CCCCO1)[C@@H](N)B(O)O	1931473894	XMBCSVJSDCTSRI-JGVFFNPUSA-N	201.075	-0.079	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1OCC[C@H]1C	1932221114	IFSPLPIVHYDNMQ-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
Cn1nnc(C(=O)NCC2CC(Cl)C2)n1	1933452612	YYCWUDMYZPFFTR-UHFFFAOYSA-N	229.671	-0.043	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CC1(C(=O)NN)CC1	1938231622	ADMKDABGIMIJPU-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CC1(C(=O)NN)CC1	1938247039	ONUVKXYFCZTDKZ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C(=O)NCc1csc2cncn12	1938338118	MVSZHXINKOZDMD-UHFFFAOYSA-N	239.260	-0.998	50	10	BBGE	
CC1(C)[C@H](CO)CCN1CCCC(=O)NN	1938471662	CESBVNFBZHQUGW-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COCCN1C[C@@H](Cl)[C@H](c2nnnn2C)C1	1939853445	IJGYHHDWIUIKCU-HTQZYQBOSA-N	245.714	-0.137	50	10	BBGE	
CC(C)[C@H](OCCO[C@H]1CCOC1)C(=O)NN	1940247224	YHPCUKFRNJBCQZ-UWVGGRQHSA-N	246.307	-0.177	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@H]1C1CC1	1941123370	WZOXUYDTSOQGGR-AXFHLTTASA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H](O)[C@@H](F)C1	1944307840	KWFRXFOMRUBOJY-YUMQZZPRSA-N	243.238	-0.602	50	10	BBGE	
C[C@@]1(O)CON(Cc2occc2C(=O)NN)C1	1944779790	STGKIZVIQOWLFD-JTQLQIEISA-N	241.247	-0.619	50	10	BBGE	
NNC(=O)COCCn1cnc(C2CCC2)n1	1946068877	CRPOTYWXOGOWJY-UHFFFAOYSA-N	239.279	-0.448	50	10	BBGE	
Cn1cccc(OCCCCC(=O)NN)c1=O	1950722153	MKJKLMJZRDHZIY-UHFFFAOYSA-N	239.275	-0.076	50	10	BBGE	
CS(=O)(=O)c1ccc([C@H](N)[C@@H](O)C#N)cc1	1952819932	BFIGAUGKNGVAIW-UWVGGRQHSA-N	240.284	-0.026	50	10	BBGE	
C[C@H](Cl)C(=O)[C@]1(N)CCS(=O)(=O)C1	1954079320	WEVSHCDZEUJSEP-FSPLSTOPSA-N	225.697	-0.301	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550525	XCWDVOHOUIVHMQ-DWOUCZDBSA-N	219.668	-0.434	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CCC[C@@H]21	1961306533	QFNYWOKKDDPOGW-BQBZGAKWSA-N	229.305	-0.527	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]1C[C@@H]2O	1961570271	FAUFECQXGCWFLE-VGMNWLOBSA-N	213.281	-0.788	50	10	BBGE	
CN([C@@H]1CCC(=O)NC1)S(=O)(=O)CCl	1970967739	FSPMIMJBZQRJNF-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1ccnn1C	1974785275	KBPAGSOZYDUKQI-ZETCQYMHSA-N	247.707	-0.061	50	10	BBGE	
NC(=O)NCC1CCN(C[C@@H](O)CCl)CC1	1978822258	QUEHPFWJIBWQIQ-VIFPVBQESA-N	249.742	-0.034	50	10	BBGE	
CC[C@@H](N=[S@](C)(=O)N1CCCC1)C(=O)NN	1979784070	FOTPXACJCMUTBW-BCTVWOGZSA-N	248.352	-0.137	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@H]1C[C@H]1C(=O)NN	1979849320	NNJLVVAXLZMDRO-OPRDCNLKSA-N	229.324	-0.439	50	10	BBGE	
COC1(CN(C)CC(F)(F)C(=O)NN)CC1	1979960699	KMJCDATVCBSTRG-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]([C@H]1CCCOC1)N(C)C(=O)C(=O)NN	1980240476	TXIGVRUQCQAWQS-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
CSCCOCc1nn(C)cc1C(=O)NN	1980592763	JRLHVMZGYJJONQ-UHFFFAOYSA-N	244.320	-0.097	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2OCCC[C@@H]2C1	1980817372	ULDSANRYLWWPMU-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ncncc1B(O)O	1981409135	JJRPLAHIPOQKCU-RQJHMYQMSA-N	225.032	-0.907	50	10	BBGE	
COC[C@H]1CCN(c2nc(B(O)O)cs2)C1	1981471283	HQZOLJKZFAGLTR-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CC=CC1	1984100808	BJGOSMANDULMGW-UHFFFAOYSA-N	219.049	-0.506	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CCC(C)(C)C(=O)NN	1985572256	QNOWSXVOAXRXNL-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CO[C@H](C)COCc1nc(C(=O)NN)co1	1986052285	SKJMWNDXJZJNPZ-ZCFIWIBFSA-N	229.236	-0.170	50	10	BBGE	
CO[C@H](C)COc1ncc(F)cc1B(O)O	1988005652	OUDOTQLRRGBERZ-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@H](C)[C@@H]1C	1990774406	IMLVNMHLLOLQPM-JGVFFNPUSA-N	245.348	-0.021	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CCF)C1	1990776019	DVMNUKQRQDPRQF-VIFPVBQESA-N	231.271	-0.165	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1991674971	KHSBAAWYTQAPNG-RERUZZKTSA-N	245.706	-0.044	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)[C@@H](C)C(=O)NN)no1	1997752478	NEVOWXNEDCAQHR-RNFRBKRXSA-N	241.295	-0.176	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@H]1CCCNC1=O	2004308455	CRXJMSSZYIDOOF-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1ccc(N2CCOC(F)(F)C2)nc1	2004912613	WAJPPELHXVOYHB-UHFFFAOYSA-N	244.006	-0.809	50	10	BBGE	
Cc1ccnc(N2CCC(F)(F)C2)c1B(O)O	2004919834	DGVGOFXRGSCIMK-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
OB(O)c1cncnc1N1CCCCCCC1	2004920076	GQECJUPWKPLLFE-UHFFFAOYSA-N	235.096	-0.073	50	10	BBGE	
CC[C@@H](COC)Oc1ncc(C)cc1B(O)O	2004925414	QAHLVEHHVWQDFW-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
COC[C@@H](Oc1ccncc1B(O)O)C(C)C	2004951559	NMJZZOLZYDELET-LLVKDONJSA-N	239.080	-0.189	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@H]32)c(F)c1	2005015838	GKRDPUXVWQMWHX-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2CC[C@H]2C1	2005018695	XGOFRSMONJSOCR-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CN(C)CCCOC[C@H]1CC[C@@H](C(=O)NN)O1	2007032001	VJOXSADDGBZYTB-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H]1CC[C@H](Oc2cncc(B(O)O)c2)C1	2013957230	HKFMLJMJSSSBMK-UWVGGRQHSA-N	237.064	-0.292	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@H]21	2015991740	YPNKHKVABSONPU-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1(CCF)CC1	2018910671	OJRWKYGEIBXJAX-UHFFFAOYSA-N	239.055	-0.332	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnccn1	2019209863	LAURKEUNWPFNGB-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@H]1C=CCC1	2023193957	IQBOGAFYXDDJIZ-ZETCQYMHSA-N	230.036	-0.603	50	10	BBGE	
CCOCCOCC12CC(C(=O)NN)(CO1)C2	2023853070	KGMRLZHEHSVUGE-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1CC1(C(=O)NN)CC1	2033708153	NVUQAUOPPRLFGC-UHFFFAOYSA-N	246.270	-0.202	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)N1C	2052472887	OLVYNWKRQKUFMA-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC23COC3)cn1	2056633799	ITEMFBSGUVOATL-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
COc1cc(C)c(B(O)O)c([N+](=O)[O-])c1	2060379432	AGNWLUJKLCAJBJ-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccc(B(O)O)cc1	2079007990	CNIIVVHTBHVSDE-SECBINFHSA-N	246.075	-0.212	50	10	BBGE	
CC1(C)SC[C@@H]1Nc1ncc(B(O)O)cn1	2212602676	HWXFSSGZFJKPNJ-ZETCQYMHSA-N	239.109	-0.538	50	10	BBGE	
CC[C@H](O)CNc1cc(B(O)O)c(C)cn1	2212603437	GBEPHMQFOPIOMD-QMMMGPOBSA-N	224.069	-0.747	50	10	BBGE	
C[C@@H](N)CCOc1nccc(B(O)O)c1F	2212605515	GEBUIUOZUDGUOS-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@H](F)C2)CCC1	2216530661	RJEGBTYXOCZEMB-BDAKNGLRSA-N	245.298	-0.449	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)C3O)CCC1	2216534514	OVFCCMWEDCBMAU-ULKQDVFKSA-N	239.319	-0.541	50	10	BBGE	
CCOCC(C)(C)Nc1ncccc1B(O)O	2217172540	LBBIDGOWNGRGMJ-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@H]1CNCC[C@H]1Oc1ccc(B(O)O)cn1	2217172669	LPAFOEXVWXTSEH-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@H](F)C2)[nH]c1	2217176908	BWBNTNLETCTCKT-APPZFPTMSA-N	239.059	-0.872	50	10	BBGE	
CC(C)N(CCCO)c1ccc(B(O)O)cn1	2217178488	WPXCAHBDYOZTFD-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
CO[C@@H](C)CCN=c1[nH]ccc(B(O)O)c1F	2217180097	FGWDYVXBVDHKGT-ZETCQYMHSA-N	242.059	-0.841	50	10	BBGE	
CC[C@@H](C[C@H](C)O)Nc1ncc(B(O)O)cn1	2217181341	OPIRKBCCCMBIFM-CBAPKCEASA-N	239.084	-0.882	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1cc(B(O)O)c(C)cn1	2217182163	ZYYISEQBOJOYTJ-PSASIEDQSA-N	236.080	-0.483	50	10	BBGE	
C[C@@H]1[C@H](Nc2ncccc2B(O)O)CCN1C	2217204593	LYHHDTLPTPTDIT-PSASIEDQSA-N	235.096	-0.734	50	10	BBGE	
C[C@@]1(O)CCCN(Cc2cccc(B(O)O)c2)C1	2220060517	XVJUQLOZUZUCGP-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1Cc1cccc(B(O)O)c1	2220061226	CUIOFCDTMVKOFT-ZWNOBZJWSA-N	249.119	-0.288	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)O)c1C	2241493134	KCAIEEWRKZHNJU-UHFFFAOYSA-N	200.024	-0.257	50	10	BBGE	
Cn1ncnc1/C=N/NC(=O)C(F)(F)F	2241883272	JLUMWCLSSQAQKY-BIIKFXOESA-N	221.142	-0.173	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2243363566	IXUMRMRDTBWPID-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)[C@@H]1C[C@@H]1B(O)O	2243396793	QTXGNPDXFAGRHE-BKPPORCPSA-N	231.032	-0.906	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2243398995	IQGWTJSPMHRLFQ-WKEGUHRASA-N	222.053	-0.777	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243407507	UCTBXCRTZVNTAE-RQJHMYQMSA-N	239.105	-0.044	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(B(O)O)s1	2243414656	FURONSFGHVPEME-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
C[C@@H](Oc1cccc(CCO)c1)C(=O)NN	2243583916	CNOFSPQGYDJPJF-MRVPVSSYSA-N	224.260	-0.021	50	10	BBGE	
CC=CC(=O)N(C)Cc1cc(B(O)O)cs1	2243685224	POJYFPFTEPHJNF-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
CC1(C)C[C@H](SCCOCC(=O)NN)CN1	2245394734	GNYGNHXFSFQEOX-QMMMGPOBSA-N	247.364	-0.133	50	10	BBGE	
CCC1(NC(=O)c2ccncc2B(O)O)CC1	2247721196	BDAWDMJYFPDCML-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCC[C@H]21	2247743439	DJBKVFGSXJVHKU-HTQZYQBOSA-N	235.048	-0.416	50	10	BBGE	
C[C@@](CO)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247786507	BTKRSDUAVAGHSF-NMLBEHRDSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2CNC[C@@H]21	2247787917	WKEWXUZEHPIKIY-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1C(=O)C1CC(B(O)O)C1	2247790521	HWEDUJZQXVQLAP-NFTFJBJSSA-N	240.112	-0.422	50	10	BBGE	
COCCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796594	BBWRSRBQHOVETH-MGCOHNPYSA-N	241.096	-0.266	50	10	BBGE	
CC[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCN1	2247796821	CZBJWHRYCXSCHH-ATZCPNFKSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H]1[C@@H](CO)C2	2247797594	LFMUTUAWSZJEAN-ZOZBQHSOSA-N	239.080	-0.779	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(C=CCO2)C1	2247797812	NASOOLVBNMBTBE-UHFFFAOYSA-N	237.064	-0.593	50	10	BBGE	
O=C(NC[C@H]1CCCCO1)C1CC(B(O)O)C1	2247797981	PDHRFAACXIWSIQ-UDNWOFFPSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCO1	2247798078	PZSNTNINYMTWLN-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CNCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247804075	FDGDHRULOLANTF-AUXWQGHOSA-N	240.112	-0.646	50	10	BBGE	
C[C@](N)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2247809777	RGZFJUWWHBBSNT-KKZNHRDASA-N	240.112	-0.517	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@H]1CCO2	2247846753	LTFYLPAGZUARTG-ONGXEEELSA-N	237.064	-0.923	50	10	BBGE	
CCCCN(CC)C(=O)c1cc(B(O)O)c[nH]1	2247851504	ZJXYJKFEINWKGU-UHFFFAOYSA-N	238.096	-0.043	50	10	BBGE	
Cc1ccn(NC(=O)c2coc(B(O)O)c2)c1	2247853144	GYIJSLPJHSFRFR-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ccncc1B(O)O	2247873863	MXDGDHVXGNOOAR-MRVPVSSYSA-N	234.064	-0.592	50	10	BBGE	
Cc1nc[nH]c1CCNC(=O)C1(B(O)O)CC1	2247878310	NJFPDEQCEBCEBV-UHFFFAOYSA-N	237.068	-0.616	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894193	DEEZJBPDIMJGDX-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247899848	QQKGZVVAAKPRKR-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@H]2CC[C@H]1O2	2248366201	SOCDIQVGLZZMON-LPEHRKFASA-N	237.064	-0.782	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2248580415	YCEKZFWPONVULV-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](C)C(=O)O	2248591498	QAXRYCRWFOHAST-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1	2254102048	DWPUGHMLUKZNNY-WCQYABFASA-N	247.103	-0.677	50	10	BBGE	
Cc1cnc(O[C@]23CCNC[C@H]2C3)cc1B(O)O	2254112223	CVNOSHAHDUNCFO-SKDRFNHKSA-N	248.091	-0.799	50	10	BBGE	
N#CC1CN(C(=O)c2cccc(B(O)O)c2F)C1	2255506566	STTGWYCIAWYTKL-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
CC1CC(C)(NC(=O)c2cncc(B(O)O)c2)C1	2255522199	GNVBPMUHGHUNPK-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)oc1C	2255726537	FAYKWRWZFKRSOK-SECBINFHSA-N	249.075	-0.200	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC=CCC1	2255734572	CSOBXQXPQPJHHW-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255747561	NCQGYGPHOHCRBQ-MRVPVSSYSA-N	246.075	-0.746	50	10	BBGE	
Cc1cc(C(=O)NC2(C3CC3)CC2)oc1B(O)O	2255783992	BNDAHUCOCHHUBF-UHFFFAOYSA-N	249.075	-0.060	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CC2)c1n[nH]cc1B(O)O	2260530727	IXYPWHOAVYKBAF-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@@H]3C[C@H]2CO3)n1	2298273327	RBSIEJFTGRTPBD-KXUCPTDWSA-N	236.080	-0.622	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]1C1CC1	2298370063	NHLFYUUSZKMZPA-DOLQZWNJSA-N	239.080	-0.779	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@@H]1[C@@H]2CO	2298374763	LPZXVJWBQNIWEY-VVULQXIFSA-N	239.080	-0.921	50	10	BBGE	
C[C@@]1(N)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(F)F	2299950117	HYZDQLQBBQIYMD-GKROBHDKSA-N	248.038	-0.956	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@@H]1C(N)=O	2300625758	WYWYMODYQOAKSL-SECBINFHSA-N	242.323	-0.514	50	10	BBGE	
N#CC1(F)CN(Cc2nc(C(=O)NN)co2)C1	2301458612	WWVBQKVRTLATJN-UHFFFAOYSA-N	239.210	-0.674	50	10	BBGE	
C[C@H]1NCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303854743	GLEDRLKDUYWXNJ-HZGVNTEJSA-N	240.043	-0.970	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@H]2CC[C@@H]1N2	2312613526	KIERDUMYBWSHDO-NGZCFLSTSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@@H]2CCCO[C@@H]21	2312614295	HBHCPJDZTZWHES-QXEWZRGKSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@H]3C[C@H]2CO3)c1	2312741224	DJMGYPFCZQHFIF-JMJZKYOTSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@H]1CO	2317166358	UJEYKEKYSKZYGB-ZJUUUORDSA-N	246.075	-0.722	50	10	BBGE	
CNC1(COc2ccc(C=O)c(B(O)O)c2)CC1	2317349399	BVSNQGJXMALPQJ-UHFFFAOYSA-N	249.075	-0.690	50	10	BBGE	
CC/C(NNC(=O)C(N)=O)=C1/C=CC=CC1=O	13119089	WTNXDVYTSPOGBU-BQYQJAHWSA-N	235.243	-0.548	50	10	BBGE	
Cc1cccc(CCNC(=O)C(=O)NN)c1	51671548	IOESQFUBOOQINN-UHFFFAOYSA-N	221.260	-0.356	50	10	BBGE	
COC[C@@H](C)OC[C@@H]1CC[C@H](C(=O)NN)O1	69758192	XTIWTFLPUBBWIZ-HRDYMLBCSA-N	232.280	-0.425	50	10	BBGE	
NNC(=O)Cc1ccc2c(c1)NC(=O)CO2	78192835	FJJNLPBJFYFYMU-UHFFFAOYSA-N	221.216	-0.450	50	10	BBGE	
CC(C)CN(CCN(C)C)[C@H](C)C(=O)NN	82469454	DEEXUGGQQWWLMO-SNVBAGLBSA-N	230.356	-0.116	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCCO1)C(=O)NN	82469932	PMQJIOWYJOGVFS-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	94468151	HNXDCZMGHAVPRE-GHMZBOCLSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCc1nnn[nH]1	95194824	VWOKLKPUOACUAE-YFKPBYRVSA-N	217.660	-0.124	50	10	BBGE	
CCN(CCOC)C[C@@H]1CC[C@H](C(=O)NN)O1	104121587	TVGDHHCARWPGPL-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
Cc1cc(CN2CC(=O)OC(=O)C2)no1	111218056	QEAJDRHROZDVBI-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(N(C)C)CCC1	165243985	VGVVLBLMHITPOJ-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
O=C(Cn1ccnn1)NNC(=O)c1ccccc1	175082438	DYOZTIUAQFKERK-UHFFFAOYSA-N	245.242	-0.261	50	10	BBGE	
OB(O)c1cnc(OC2CCCC2)nc1	198019947	HTVCSJFVKPFXGZ-UHFFFAOYSA-N	208.026	-0.522	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)[C@H](O)C1	236540671	NAALNUFAQRQMPE-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
O=Cc1ncc(Br)cc1B(O)O	238615505	KTEOQQZXOAKKGT-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
O=C(O)C(F)(F)c1cccc(B(O)O)c1	238625583	AQXCOFDPTMCGIL-UHFFFAOYSA-N	215.948	-0.457	50	10	BBGE	
C#CC(=O)OC[C@H](O)CBr	238692565	ORDVCRUARKELNJ-RXMQYKEDSA-N	207.023	-0.081	50	10	BBGE	
CN1CCC[C@@H]([C@@H](N)CC(=O)NN(C)C)C1	259033645	JXXPSFXRFRYWML-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CN1CCC[C@@H]([C@@H](N)CC(=O)NN)C1	259113835	RHJSMJJKHBVPSP-SFYZADRCSA-N	200.286	-0.965	50	10	BBGE	
CC[C@H](SCC(=O)N(C)C)C(=O)NN	300891652	USNYJGBYQUUYLV-LURJTMIESA-N	219.310	-0.424	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	307116646	ZBVTZYSXGOTKHC-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
COc1ncc([C@H]2C(=O)NC(=O)[C@H]2Cl)cn1	384181674	QIHIFWTZHJAUQA-RITPCOANSA-N	241.634	-0.167	50	10	BBGE	
NNC(=O)CCN1CCC(N2CCCC2)CC1	384442818	ZFMZUFJNMORTIP-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@H]1CN(CCCCCC(=O)NN)C[C@@H]1O	388709719	YIVDBGHNKYCGLK-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)[S@](=O)NCc1cccc(B(O)O)c1	405017678	GHYIXMGURWDICL-INIZCTEOSA-N	241.121	-0.472	50	10	BBGE	
CC(F)(F)C(C)(C)NC(=O)C(=O)NN	406976316	FNTMCGBYCUVNEL-UHFFFAOYSA-N	209.196	-0.474	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(CC(=O)NN)C1	687214055	XWERLVRZSMLMSV-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CCCOC2)c1	690537968	GMRLQOUXFIWZHA-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
Cc1nn(CC[C@@H]2CCOC2)c(C)c1B(O)O	694275257	HOAGTZDBXCDDEE-SNVBAGLBSA-N	238.096	-0.394	50	10	BBGE	
OB(O)c1ccc(CN2CC3(COC3)C2)cc1	697121708	SUOFLCUPYWFFSS-UHFFFAOYSA-N	233.076	-0.801	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H](CN2CC(=O)OC(=O)C2)O1	697272034	GMERTMFUGWYEJZ-BDAKNGLRSA-N	242.275	-0.909	50	10	BBGE	
Cc1nn(C)c(C)c1CC(=O)NNC(N)=S	700888335	AOIJPFZXRGKOIF-UHFFFAOYSA-N	241.320	-0.556	50	10	BBGE	
CN(C(=O)OCCl)c1nnnn1C	703038763	VRMPDPMQPYHWSJ-UHFFFAOYSA-N	205.605	-0.021	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(OC(C)(C)C)C1	707278790	MZXZIVXQKUERST-ZETCQYMHSA-N	215.297	-0.136	50	10	BBGE	
CC[C@@]1(O)CCCN(CCC(=O)NN)C1	710209555	KHFIGLGRBWQWQL-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
CC1(C)CC(Cn2cc(B(O)O)cn2)C1	723542770	RXFHPAIEEIOPCE-UHFFFAOYSA-N	208.070	-0.001	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCCOC1	727725929	AEOXZEIJJVOKET-RKDXNWHRSA-N	242.275	-0.261	50	10	BBGE	
CC(C)c1nccnc1NNC(=O)CC(N)=O	772843013	YHFOCHWPFGMDNB-UHFFFAOYSA-N	237.263	-0.082	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1ccncn1	821115409	MMGAGSRYTWBKAO-RNFRBKRXSA-N	208.221	-0.045	50	10	BBGE	
COC(=O)NCC(=O)NN(C)c1ccccn1	862752717	ZSUWUSVUZFYFRK-UHFFFAOYSA-N	238.247	-0.095	50	10	BBGE	
CCCCNC(=O)NNC(=O)c1cn(C)nn1	1261216627	GKRVYUFYBVIKLL-UHFFFAOYSA-N	240.267	-0.441	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)c1cnsn1	1303456825	YGYVVPWFKQKOJL-YFKPBYRVSA-N	239.260	-0.151	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnc[nH]2)n1C	1331675850	LOAPNPQBDACJDU-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1ncccn1	1585302231	PCQALFPNHPWLPC-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CN(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1877236002	LLQGDKWPSVRTCS-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1Br)C(N)=O	1877334454	PMYJSFBMNNWGAV-WDCZJNDASA-N	235.081	-0.240	50	10	BBGE	
CC(C)(C)OC(=O)N[C@]1(C(=O)NN)CCOC1	1880022536	FDZIKHDXYHVJNT-SNVBAGLBSA-N	245.279	-0.340	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@@H]1N=C=S	1881658684	VEESMZINOCUNDF-NTSWFWBYSA-N	207.276	-0.099	50	10	BBGE	
Cn1nnc(=NC(=O)[C@H]2C[C@H]2Br)[nH]1	1883533801	WOQZLUGMFSNMPO-IUYQGCFVSA-N	246.068	-0.646	50	10	BBGE	
C=C(CN1CCS[C@@H](C)C1)B(O)O	1883732974	NBBDDTUYJPBOJZ-QMMMGPOBSA-N	201.100	-0.008	50	10	BBGE	
C[S@@](=O)(CCN)=NC(=O)C=CC(=O)Cl	1893405361	NTRFDDOBSCYCKS-CQSZACIVSA-N	238.696	-0.109	50	10	BBGE	
O=C(N[C@H](CO)CCCO)[C@@H]1C[C@H]1Cl	1893462473	YSLQUVAXLCTJLE-XLPZGREQSA-N	221.684	-0.137	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1Cl	1893470474	UAVIJWQCOVHBBT-FSDSQADBSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1895229345	POCRWCJNHGKWGY-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccccc1B(O)O	1897401647	DASAYZQCAILRHD-DTWKUNHWSA-N	223.012	-0.793	50	10	BBGE	
CC[C@H](N)COc1cc(B(O)O)c(F)cn1	1903010264	NPOCLXACZNUMNM-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@H](F)C1	1904998972	LVQOLZCXIUSVQT-LJGSYFOKSA-N	226.016	-0.717	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2CCO[C@@H]2C1	1907912540	CTQQLIKAMPJVGZ-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C(=O)COC2=O)C1	1908358939	SGQYFGWZXULXFH-NKWVEPMBSA-N	241.247	-0.629	50	10	BBGE	
Cn1ccn(C[C@@H]2CC[C@H](C(=O)NN)C2)c1=O	1908359533	VRABEMNQEPAFJH-BDAKNGLRSA-N	238.291	-0.407	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3COC[C@@H]32)C1	1908820927	SABKJYYVVCBKRZ-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	1909549431	MPDBSFPJFZQGCY-RNFRBKRXSA-N	232.052	-0.838	50	10	BBGE	
CS(C)(=O)=NCc1nsc(C(=O)NN)n1	1913512619	MXDOHMFNRDDESZ-UHFFFAOYSA-N	249.321	-0.631	50	10	BBGE	
CC(C)COC(=O)Nc1ncccc1B(O)O	1913650678	HNIDSVXTLJAHQK-UHFFFAOYSA-N	238.052	-0.034	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1occc1C(=O)NN	1914257654	VOEALTKXSRVPRN-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CN(CCCC(=O)NN)CC1(O)CCC1	1914572280	XIRAGASPNPMMPV-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)CNC(=O)NCc1ccccc1	1923405784	DHYHDNQLVGARNF-UHFFFAOYSA-N	222.248	-0.524	50	10	BBGE	
C[C@H](NC(=O)NN)[C@@H]1CCCS(=O)(=O)C1	1928366570	YATLKAAAWPMUFW-NKWVEPMBSA-N	235.309	-0.627	50	10	BBGE	
CCON(C)Cc1ccc(B(O)O)cc1	1928681975	LTZCUFTUMLQLDU-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
NNC(=O)C1(COC2CCOCC2)CC1	1931267189	QGLPNWJVDOYIKW-UHFFFAOYSA-N	214.265	-0.048	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]2CC1=O	1931860894	PVUMCGVOLJKZGQ-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
C[C@H](C(=O)NN)N1CC([C@H]2CC2(F)F)C1	1933055927	GLJXPFXYVHZJAI-IYSWYEEDSA-N	219.235	-0.048	50	10	BBGE	
COCCCCN(C)CC(F)(F)C(=O)NN	1935927351	BFJZVBKLDMAGBT-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)Cn1ccnn1	1937147460	UQVNKMABXXSBBF-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](C(=O)N(C)C)C1	1940303256	LIOHKMMHKWVCNB-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](CN1CCO[C@H]2COCC[C@H]21)C(=O)NN	1940343970	POJATFFFWIDKHT-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
CN1CC2(CCN(C[C@@H]3C[C@H]3C(=O)NN)C2)C1	1941090959	SVAREGJZBPKUEL-VHSXEESVSA-N	238.335	-0.750	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083573	NFQOSIDSNLGVMU-INTQDDNPSA-N	241.335	-0.152	50	10	BBGE	
COCC[C@H]1CN([C@@H](C)CC(=O)NN)CCO1	1943667232	BUAIGHWLCVTUJL-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C[C@H]1C[C@H]1C(=O)NN	1950222637	GZKIEKRWHNCEOE-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@]12CC[C@@H]1C2	1951280940	SJOKHZQWIQCRIC-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
O=C(c1cnns1)N1CC[C@@H](B(O)O)C1	1951321058	XJUDOESPDQUBOH-RXMQYKEDSA-N	227.054	-0.773	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NNC(N)=S)CO1	1955380085	JUFWVAUPXLFNTI-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
CCN(C)C1CN([C@H](C)C(=O)NN)C1	1956719047	DGDSPNAUENLZAI-SSDOTTSWSA-N	200.286	-0.999	50	10	BBGE	
CN(C[C@@]1(C)COCCO1)C(=O)NN	1957206376	ZMXVKFSXZWHISC-QMMMGPOBSA-N	203.242	-0.693	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@](N)(CO)C1	1957243564	YPVBLPNPSHSYEG-RKDXNWHRSA-N	217.700	-0.097	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)[C@@H]2COC[C@@H]21	1957255535	GSTCMUXNGLOLQA-JBDRJPRFSA-N	215.684	-0.225	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2C=C[C@H]1C2	1958746929	ATEGWNHRZYZEKK-SFYZADRCSA-N	209.249	-0.457	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)CCl)C1	1960159264	LEQLELPOIHJHOU-BDAKNGLRSA-N	234.727	-0.004	50	10	BBGE	
C[C@H](CN(C)c1cnn(C)c1)C(=O)NN	1961351747	BYTFAQIVFLYAAW-SSDOTTSWSA-N	211.269	-0.518	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@]1(CN)CO	1962292590	UETQEJFPDZNETL-IUCAKERBSA-N	233.699	-0.861	50	10	BBGE	
O=S1(=O)C[C@@H]2[C@H](n3nnnc3CCl)[C@@H]2C1	1962340179	AESJTPTVZZHWKX-CNYLLVADSA-N	248.695	-0.373	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@]2(CNC(=O)N2)C1	1974909083	PQIBDRDVNABMOI-IONNQARKSA-N	228.683	-0.125	50	10	BBGE	
Cc1cc(B(O)O)cnc1S[C@@H]1CCOC1	1981450269	GELAHRYILFQIFE-SECBINFHSA-N	239.105	-0.049	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CCOC[C@H]1C(N)=O	1985790578	QRSJNTREFHGPED-YUMQZZPRSA-N	248.710	-0.036	50	10	BBGE	
O=C1CO[C@@H]2CCN(C[C@H](O)CCl)C[C@H]2N1	1986841166	OTYHCYKZBUELSV-IWSPIJDZSA-N	248.710	-0.825	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)[C@@H]1C[C@H]1Cl	1991678360	QEOCQPMOVOAPQC-UZKZQZFNSA-N	245.706	-0.140	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1CCOC[C@@H]1F	1991729654	DTBCIKPHLGQLEH-HXFLIBJXSA-N	232.255	-0.244	50	10	BBGE	
NNC(=O)C(=O)NC1C2(CCC2)C12CCC2	1994226335	QCQSAWNFBFCIFG-UHFFFAOYSA-N	223.276	-0.185	50	10	BBGE	
CO[C@H]1C[C@H](N2CC(=O)OC(=O)C2)C[C@H]1OC	2001473596	BFEVXSMDCYHJPP-PSVAKVPMSA-N	243.259	-0.436	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2ncc(O)c2C1	2002892154	DKSUFPKAVCPUEK-ZETCQYMHSA-N	239.279	-0.827	50	10	BBGE	
Cc1cnn(C2CN([C@@H](C)CC(=O)NN)C2)c1	2003904437	HGMREPQGKOMHGQ-VIFPVBQESA-N	237.307	-0.183	50	10	BBGE	
OB(O)c1cccc(CN2CCC23COC3)c1	2004488785	NCTYOOCMZMPGRV-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]1C(F)(F)F	2004917387	BXNSMNLPUFKJAC-QMMMGPOBSA-N	245.997	-0.098	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CCC[C@@H]2C1	2004934451	FGLINDWCRKTYNI-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
CCC[C@@H]1CCN1c1ncc(B(O)O)c(C)n1	2004975341	XOZSPZNYXLWXST-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
COC[C@H](C)N(C)c1ccc(B(O)O)c(C)n1	2005018252	QSUVXSWREWHCNJ-QMMMGPOBSA-N	238.096	-0.459	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)[C@H]2C[C@@H]21	2008867856	SHTNQCAPAZUQSF-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
CCc1ccn(-c2ncc(C)cc2B(O)O)n1	2012154146	PBRQWKLBNQMFJM-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CC1(C)OCCO[C@@H]1CN1CC(=O)OC(=O)C1	2013862030	NEWBSYIAFUACOI-MRVPVSSYSA-N	243.259	-0.434	50	10	BBGE	
CCCC(=O)NCCc1ccccc1B(O)O	2014358652	OBXHGDJSOXJHFW-UHFFFAOYSA-N	235.092	-0.175	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCOC[C@@H]1F	2020495664	CQEQJQWAXGSLQN-DTWKUNHWSA-N	241.027	-0.733	50	10	BBGE	
CN1CCC(Oc2ccncc2B(O)O)CC1	2021069084	VNLFELQNHFDPBF-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
Cc1nccnc1CN(C)C[C@H]1C[C@H]1C(=O)NN	2028050608	ILTSHXXPEHINLX-NXEZZACHSA-N	249.318	-0.157	50	10	BBGE	
CC[C@H]1C[C@H]1Cn1cnc2c(B(O)O)ncnc21	2055735371	BPXWQBRQULUFJC-YUMQZZPRSA-N	246.079	-0.448	50	10	BBGE	
COC1(C)CN(C(=O)c2ccccc2B(O)O)C1	2079011042	XWYLUUHWSFNBNI-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
Cc1ncnc(OCC2(F)CC2)c1B(O)O	2211059781	RXMSSXIWTBOKPX-UHFFFAOYSA-N	226.016	-0.654	50	10	BBGE	
OB(O)c1cscc1CN1C[C@@H]2COC[C@H]21	2211137057	ADZRDQSWPXJNBI-GMSGAONNSA-N	239.105	-0.742	50	10	BBGE	
C[C@@H]1CC[C@@H]1Cn1cc(B(O)O)ccc1=O	2211480342	IRYJDCASJPAYOF-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
CN(C)[C@H]1CN(CCC(=O)NN)CC1(C)C	2211492779	GUPBEYRQGCUUQR-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
COC[C@@H](CF)Nc1ncccc1B(O)O	2212600490	CZQFBTXANNADLX-SSDOTTSWSA-N	228.032	-0.842	50	10	BBGE	
COC12CCC(C(=O)NNCCO)(CC1)C2	2212601364	NBCPURVBFJSYST-UHFFFAOYSA-N	228.292	-0.051	50	10	BBGE	
CC[C@H](CN)Oc1cc(B(O)O)c(C)cn1	2212603612	HMEYDLNBKDBZQT-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(B(O)O)cn1	2212605961	MJOCUFIETOGIEA-SNVBAGLBSA-N	216.049	-0.637	50	10	BBGE	
CCN1CC[C@@H](Oc2ncccc2B(O)O)C1	2216491450	WBCMBDPHRUMYKJ-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cnc(N2CC3(CC=CC3)C2)nc1	2217173495	RQSUIOXSYKVQRQ-UHFFFAOYSA-N	231.064	-0.687	50	10	BBGE	
CN(C)C1CC(Nc2cc(B(O)O)ccn2)C1	2217175837	NXYZOTFFKFNXJG-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Nc1ncccc1B(O)O	2217178190	SHDZAYWMWBZJFR-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OCC[C@@H](Nc1ncccc1B(O)O)C(F)F	2217178895	CCWUOEMUIYKKLG-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
C[C@H](COC(F)F)Nc1ncccc1B(O)O	2217179018	FCCSJKPPVKLIGI-ZCFIWIBFSA-N	246.022	-0.199	50	10	BBGE	
CC1(N)CC(Nc2nccc(B(O)O)c2F)C1	2217180803	KZNMCZHTIXIXJK-UHFFFAOYSA-N	239.059	-0.808	50	10	BBGE	
Nc1ncccc1Nc1ccc(B(O)O)cn1	2217181078	YAAJUWNUWSKZMJ-UHFFFAOYSA-N	230.036	-0.518	50	10	BBGE	
CCCNCCCOc1cc(B(O)O)ccn1	2217193364	MIQVCQILNRJTIF-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C(C)(C)CO	2217197707	PXBFXJUSWSGEHG-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C(=O)N1C	2220060882	AITMJJSFUNOKLQ-SECBINFHSA-N	248.091	-0.378	50	10	BBGE	
CC1(C)CNC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223633707	ACJOYIVYPJNZSA-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1Nc1ccc(B(O)O)cn1	2223643453	VXWKNJSMWPEDIK-KOLCDFICSA-N	249.123	-0.487	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2223643969	CMOGCKRYQMJXOH-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
C#C[C@]1(Oc2ccc(B(O)O)cn2)CCCOC1	2223645931	CRXVUCOFIJQWNE-LBPRGKRZSA-N	247.059	-0.677	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(B(O)O)cn1	2223671202	IWJSHBCVOHIWTK-JGPRNRPPSA-N	247.107	-0.780	50	10	BBGE	
CC[S@@](=O)N1CCC(B(O)O)CC1	2241736883	MERRTKVMTPGWLL-CYBMUJFWSA-N	205.088	-0.391	50	10	BBGE	
NNC(=O)CCOCC12CC(CO1)C2	2242181896	OKIFYUHABXGJFD-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H](C(F)(F)F)C1	2243357278	UKNYMGNIWKSDTI-IZLXSQMJSA-N	234.970	-0.541	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCC2(CC2)C1	2243362123	MNAZJZPCTXYHPU-VIFPVBQESA-N	221.065	-0.207	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2COC[C@H]21	2243381472	GJSKHPHNUUVRAR-LURQLKTLSA-N	225.053	-0.903	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)cs1	2243385932	RFSFGAQIDBAIAV-HTRCEHHLSA-N	239.105	-0.092	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C#CB(O)O)C1(C)C	2243398438	DSOHOBVJWUXVCC-MRVPVSSYSA-N	223.081	-0.057	50	10	BBGE	
CN(C[C@@]1(C)CCCO1)C(=O)C#CB(O)O	2243403979	HCLARBXJSHCWFU-SNVBAGLBSA-N	225.053	-0.971	50	10	BBGE	
C=CCNC(=O)c1c(F)cccc1B(O)O	2243410266	YHKALQJLMSXZNZ-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)c(C)s1	2243415822	CISJNBPYTNRNLT-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
C[C@H]1C[C@@H]1CCC(=O)NCCC#CB(O)O	2244546238	IVYGFQNWGDJDOO-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]1C(F)F	2244549662	GRHCMDPNPKKOGJ-RQJHMYQMSA-N	231.007	-0.591	50	10	BBGE	
CC(C)C1(Oc2nc(B(O)O)cs2)COC1	2245002475	SYXKUSCGRUGVBV-UHFFFAOYSA-N	243.093	-0.373	50	10	BBGE	
CC1(CF)CN(C(=O)c2ccoc2B(O)O)C1	2247739993	DTWXICCWAIHBFS-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2247740791	PSGWFAOXRSOSSM-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
CC[C@@]1(C)CC[C@H](CNC(=O)C#CB(O)O)O1	2247740987	SIZVGYNDTZXVMW-KOLCDFICSA-N	239.080	-0.534	50	10	BBGE	
CCc1ocnc1CNC(=O)C1(B(O)O)CC1	2247757074	VDTDXOQAHRXOAZ-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NOCCF	2247761310	SQJRAJSCFHJZKR-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247782621	VYMGBPNUZCBXEL-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786991	JREOXXDRZUXZBI-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2247793502	FTDBMJLQLYWATO-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
O=C(NC[C@H]1CC[C@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247798852	XRXUAOMYCIYKMF-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
Cc1ccc(C(=O)N(C)C2CC2)cc1B(O)O	2247874290	PUILKDHKESWLES-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
C[C@H]1CCO[C@H]1CCNC(=O)C1(B(O)O)CC1	2247878647	MAASKGMZDKSKCY-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
NC1(CNC(=O)C2(B(O)O)CCC2)CCCC1	2247879665	WYJIJQYIVAHWRW-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897100	NYSZYYFYYYNAGK-GUBZILKMSA-N	243.112	-0.143	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247897380	RNOXSFZAKVCXKF-QCLAVDOMSA-N	240.112	-0.694	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898911	IOCZBAIPWVXJBA-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247899334	MNCYMOBXHPGLTQ-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
Cc1ccnc(NC(=O)C2CC(B(O)O)C2)n1	2247911719	XOWIDHXMGZPVBY-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
O=C(NCC=CB(O)O)C(F)(F)[C@H]1CCOC1	2248441680	NKMOVUMHRMFADN-ZETCQYMHSA-N	249.022	-0.657	50	10	BBGE	
O=C(O)CCCONC(=O)[C@H]1C[C@@H](B(O)O)C1	2248587602	RTKRYJYCNZNKOS-KNVOCYPGSA-N	245.040	-0.848	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@@H]1F	2249419457	HLFRBNDOONPRBA-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cocc1B(O)O	2249423359	JGGJAAJHGQPQEB-JIGDXULJSA-N	237.064	-0.409	50	10	BBGE	
COc1ccc(B(O)O)c(OC2C[C@@H]3C[C@H]3C2)n1	2254706975	QTEXFGSPQGFLSB-YUMQZZPRSA-N	249.075	-0.053	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccncc1B(O)O)C2	2255459593	IYOKCUVNKHLAOA-UFBFGSQYSA-N	246.075	-0.757	50	10	BBGE	
O=C(C#CB(O)O)NCc1noc2c1CCCC2	2255466794	DYRSARWZGQJYJY-UHFFFAOYSA-N	248.047	-0.815	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CC[C@H]2C)n1	2255487658	SIYREWGORLGJCK-XCBNKYQSSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C2CCC1CC2	2255514575	KOGCPURBPVLDQP-UHFFFAOYSA-N	246.075	-0.472	50	10	BBGE	
C#CC1CCN(C(=O)c2ccc(B(O)O)o2)CC1	2255669019	IDXGQJBSJAUUIS-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
CNCc1ccccc1CNC(=O)C#CB(O)O	2255669025	IFBOJWBDFIHOGE-UHFFFAOYSA-N	246.075	-0.962	50	10	BBGE	
Cc1cc(C(=O)N2CC3CC(C3)C2)oc1B(O)O	2255744920	NUECMRZRGYRBRK-UHFFFAOYSA-N	249.075	-0.250	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)ccc1O	2256015732	WYRSOHIVHSWILK-MADCSZMMSA-N	249.075	-0.400	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1cc(B(O)O)ccc1O	2256016182	DLAHJLJVQTZPAZ-SSDOTTSWSA-N	248.047	-0.896	50	10	BBGE	
C[C@@H](O)C(=O)N1CCCc2ccc(B(O)O)cc21	2256598264	NYTLVIDVGLKUKG-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
C#CC[C@@H]1CCCN1c1nccc(B(O)O)c1F	2258954802	UIMZGIWYEGOOKU-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
C[C@@]12CC[C@@](C)(CN1c1ncc(B(O)O)cn1)C2	2259367297	GVKFFGFWDSLUSY-NEPJUHHUSA-N	247.107	-0.075	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)C1	2298082888	HSTFTTIFQDAAAZ-KAMPLNKDSA-N	241.335	-0.296	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)CO2	2300496178	GPXLBEJCZOVWOS-CDDJKKQXSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1cocc1B(O)O	2301201011	JJDGJDDQPQMBQT-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC=C(F)C1	2301340093	ACSSAJJUGPBVMD-UHFFFAOYSA-N	232.023	-0.089	50	10	BBGE	
CCn1cnnc1CN1CC[C@@](C)(B(O)O)C1	2303157752	JIYYPIYXHLTVBN-SNVBAGLBSA-N	238.100	-0.263	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)co1	2313081864	SJIPIFXUAKWROB-HGNGGELXSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)[C@H]1CCN1	2317349692	HOGORHZKSVXJFP-PRHODGIISA-N	249.075	-0.692	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2O[C@H]3CC[C@H]2C3)nc1	2327635413	ZHERJXQNACEESM-INTQDDNPSA-N	249.075	-0.292	50	10	BBGE	
CC(=O)NNC(=O)Cn1c(=O)[nH]c2ccccc21	48823383	FVFLCFKUFMYPES-UHFFFAOYSA-N	248.242	-0.503	50	10	BBGE	
CCCCN(CCO)[C@H](C)CC(=O)NN	58845532	OZBYRERZSDQRAP-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
O=C(CN1CCOCC1)N/N=C/c1cccnc1	59246356	IDWJEXNPFHPIBM-NTEUORMPSA-N	248.286	-0.136	50	10	BBGE	
COCCn1cc(/C=N/NC(=O)COC)cn1	59914185	LWZKDPSXVSYVEA-VZUCSPMQSA-N	240.263	-0.374	50	10	BBGE	
Cc1ccn(C[C@H]2CC[C@H](C(=O)NN)O2)n1	70687551	XFGNXPAFGWBQSP-RKDXNWHRSA-N	224.264	-0.271	50	10	BBGE	
C[C@@H]1CCC(C=O)=C2NC=C(C(=O)O)C(=O)N21	105637417	ZHCMMQDZMWXGHP-ZCFIWIBFSA-N	236.227	-0.021	50	10	BBGE	
NNC(=O)c1ccccc1CN1CCNCC1	110587974	DXLYLMRUDLYCJB-UHFFFAOYSA-N	234.303	-0.305	50	10	BBGE	
C[C@H](Cn1nnc(-c2ccco2)n1)C(=O)NN	110602509	HPEIZORZKREZDG-ZCFIWIBFSA-N	236.235	-0.441	50	10	BBGE	
O=C(O)[C@H](O)CI	114120368	XVLHPLXWCJMGOQ-UWTATZPHSA-N	215.974	-0.133	50	10	BBGE	
C[C@H](CO)N(C)Cc1ccoc1C(=O)NN	125436611	AQEAYXMWUZEZRV-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
CC[C@@H](CO)NC(=O)C(=O)NCCCl	170359734	ZGIHZDWNMONMKC-LURJTMIESA-N	222.672	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](C(N)=O)C1	222174291	JAHMBFNXMJGKRX-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
CN(C)NC(=O)NCCn1cnc(C(=O)O)c1	231633261	FVQVYNPZNFUIDY-UHFFFAOYSA-N	241.251	-0.643	50	10	BBGE	
NC(=S)NNC(=O)c1cc(O)ccc1O	236234659	AZVWZWZYTOYRCD-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(O)cc1O	236236693	FBUZOGMEKAGZHQ-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
CC(C)(CCB(O)O)OCCOCCO	238165100	VXRUQEGYUZJIQN-UHFFFAOYSA-N	220.074	-0.347	50	10	BBGE	
Cc1cc(NNC(N)=O)n(C(N)=S)n1	238464209	MNKQIMJMCYWRPJ-UHFFFAOYSA-N	214.254	-0.722	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCCN2C[C@H]1C	251705421	JCIBDPHAGRJVOY-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
O=[N+]([O-])c1nc(B(O)O)ccc1Br	306769709	QMKSGWQGSGFTBQ-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
O=C1NOC[C@@H]1N1CC[C@@H](Br)C1=O	306836456	UMXHDSDJTCRVGJ-UHNVWZDZSA-N	249.064	-0.588	50	10	BBGE	
CS[C@@H]1CCCN(C(=O)C(=O)NN)C1	307460539	FOMLHWBIKOBARD-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
C[C@@H]1CN(C(=O)CCl)CCS1(=O)=O	307674985	DFUTUSBOFZIFIP-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
CCOC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	383035998	GRNCICXKFTXZEQ-WCBMZHEXSA-N	243.307	-0.755	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCNC(=O)CC1	395632732	OFAYNVONZKHNLD-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
COC(=O)CCc1ccc(C)c(B(O)O)c1	396134215	LXTNYXUJVFOOOX-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCOC1	401608354	IOUIKXSTJQEKHQ-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)(CN(CCCO)C1CC1)C(=O)NN	404242587	FDJRGAQCZBQQDX-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CCCC1	404996708	HZSUZIBWSRTLIJ-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CC(C)CNC(=O)c1ccccc1B(O)O	504082565	MHYPRAVSNMKOGI-UHFFFAOYSA-N	221.065	-0.248	50	10	BBGE	
O=C(CCl)N1CC[C@@]2(CNCCO2)C1	642885320	DHJSBTWABAUFLR-SECBINFHSA-N	218.684	-0.184	50	10	BBGE	
CN1CCN(Cc2nnnn2C)C[C@H]1CCl	687604859	JHBBBOFOWIPWIY-MRVPVSSYSA-N	244.730	-0.435	50	10	BBGE	
CN(CC(=O)NN)[C@H](CO)C(C)(C)C	689788692	RITVIAPXCAZGBK-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2ccc(N)cc2C1	690076984	WHRPASYOSBQTFH-UHFFFAOYSA-N	248.286	-0.248	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)N1CCC(O)(C#N)CC1	692110565	AMLWUVQKAFKCCC-MRVPVSSYSA-N	239.275	-0.612	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2	700868946	OBZKXAREDOZKSX-UHFFFAOYSA-N	248.242	-0.116	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](N2CCC2)C1	702302664	TXEPFERPDFKDAG-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
COC1CC(Cn2nc(C)c(B(O)O)c2C)C1	704283046	QIKRUSKGZPUWPN-UHFFFAOYSA-N	238.096	-0.395	50	10	BBGE	
CNNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	704605219	ANRRGAGRJNYUIJ-RXMQYKEDSA-N	239.197	-0.352	50	10	BBGE	
CN(C)C(=O)N1CCC(C(=O)N(C)N)CC1	704707662	WIWSGNXVLGQKAW-UHFFFAOYSA-N	228.296	-0.288	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(C)CN(C)C[C@@]2(C)C1	706290635	RQUCMFBMHUMBQU-USWWRNFRSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1[C@H](C)CN1CCn1cc(C(=O)NN)nn1	706899288	PVOAFBLZAWTSDZ-SFYZADRCSA-N	238.295	-0.778	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1CSC1	718342488	DGMSIZXJDUCVLV-UHFFFAOYSA-N	244.106	-0.876	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ncccn1	718910877	RTGUQTFRBXMELA-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C2CCC1(CO)CC2	723024354	WDCFYSRXKUEUTG-RKVXJDFWSA-N	241.335	-0.010	50	10	BBGE	
C[N+]1=C(C(=O)N=C=S)C=C[C@@H]1[N+](=O)[O-]	725538967	VACDIGFQACKECT-LURJTMIESA-N	212.210	-0.128	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)ccn1	789934864	HUEKXKVMJGAQAC-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@@H]1CC(=O)N1	830920003	OUPFRNWWNKYHLC-ZETCQYMHSA-N	248.242	-0.960	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)c1cn(C)nn1	855184487	FXADZXFEWMFJCL-RXMQYKEDSA-N	243.292	-0.672	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1nnc(C)n1C	856054940	CSAXTVYYAPPTPE-VIFPVBQESA-N	225.252	-0.496	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)C1	857105185	GFDCXSLGXINREM-DTWKUNHWSA-N	243.307	-0.490	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NC2COC2)cn1	870871237	NESYJZAKPLDOOW-XNWCZRBMSA-N	232.243	-0.158	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NNc1nnc(C)n1C	1118883722	GJDPZPKVIRZOMK-YFKPBYRVSA-N	240.267	-0.909	50	10	BBGE	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)C(C)C	1290193511	SFJYRVVROGHIPJ-QMMMGPOBSA-N	243.307	-0.063	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1C[C@H](O)[C@H](O)C1	1303821707	BIXOAMFXCDVEBC-QJYPDAISSA-N	240.259	-0.569	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]1[C@H](C)O	1885791119	QZJHVQHSXNMMPA-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@H]1Cl)c1nc[nH]n1	1893120245	USDNBKSDEGNEAU-RFZPGFLSSA-N	236.684	-0.290	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@H](O)C1	1900507779	WAJWBFFLUBZIMZ-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C[C@]1(O)CN(C[C@H](O)CCl)CC[C@@H]1O	1901104859	KFHNWWYSYREUPO-VGMNWLOBSA-N	223.700	-0.596	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	1901187556	QUHWJEXHCLCGTO-SPJNRGJMSA-N	223.276	-0.519	50	10	BBGE	
CN(NC(=O)[C@@H]1CCNC1(C)C)S(C)(=O)=O	1901375620	ONPQHIKGSFXKIO-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	1902364980	KQMOCXASTAXSAP-JTQLQIEISA-N	217.033	-0.119	50	10	BBGE	
OB(O)[C@@H]1CCN(CC2(O)CCOCC2)C1	1902549787	FIGJRUXGRBKTIS-SECBINFHSA-N	229.085	-0.923	50	10	BBGE	
O=C(O)/C(Cl)=C(/Cl)C(=O)NNCCO	1903064689	YPIPNZBUQOQUIV-ARJAWSKDSA-N	243.046	-0.627	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	1908835393	CZZLEBZNKFXFLS-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C[C@@H]1C[C@H]1C(=O)NN	1910045857	IUGPETIVOYWBBR-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CN1CCN(C2CC2)C1=O)C(=O)NN	1912252264	ANPCUQHGDSFXQB-SSDOTTSWSA-N	226.280	-0.488	50	10	BBGE	
CCCN(C[C@H](C)C(=O)NN)S(C)(=O)=O	1913817180	MIQCQVLCDIRQMM-ZETCQYMHSA-N	237.325	-0.716	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccc(B(O)O)cc2)[C@H]1C	1914308643	KUBAKJVERFCUTI-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
O=C(CCn1cnnn1)N1CC[C@H]1CCl	1929731607	OTUYQMNYRPAVGL-ZETCQYMHSA-N	229.671	-0.097	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@@H]2COCC[C@@H]2O1	1929753470	XCVDUVZQBIIZGA-CSMHCCOUSA-N	215.253	-0.647	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@H]1C2	1936082725	GNWHYWKGYUNIQS-JBDRJPRFSA-N	223.276	-0.377	50	10	BBGE	
O=C1CN(CCCc2cnoc2)CC(=O)O1	1937431360	IFZVXYRYEBFSBS-UHFFFAOYSA-N	224.216	-0.007	50	10	BBGE	
CC[C@@]1(O)CCN(CC(=O)NNC(C)=O)C1	1937986010	WDLWHHUYVUQRMQ-SNVBAGLBSA-N	229.280	-1.000	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCn1ccc(B(O)O)n1	1940044119	IYUQBLJUBJSMSF-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
C[C@H]1CCO[C@H]1CCn1ccc(B(O)O)n1	1940044120	IYUQBLJUBJSMSF-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
CN(Cc1cncn1C1CC1)C(=O)C(=O)NN	1947538167	OUGDJQJEUMTCKI-UHFFFAOYSA-N	237.263	-0.834	50	10	BBGE	
O[C@H](CBr)CN1C[C@H](O)CO1	1953287330	GWUNHSYSKYOAMG-RITPCOANSA-N	226.070	-0.650	50	10	BBGE	
CCCN(CC(N)=O)C[C@H](O)CCl	1954820299	FRDZETZVTAAYHI-SSDOTTSWSA-N	208.689	-0.217	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@]12CC2(F)F	1956902311	AMITVCWOSDGGPN-DZSWIPIPSA-N	221.232	-0.104	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CC[C@H](C1)C2O	1960706189	HEYMEDPPDBRTNR-JWHQNHQBSA-N	213.281	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C)(C#N)C1	1961495277	NYOQIEKZVLVTOC-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]2C)c1B(O)O	1961691015	LWXRZAAGHMUQKR-QMMMGPOBSA-N	206.054	-0.332	50	10	BBGE	
Cn1ccc(C(=O)N2CCC(B(O)O)CC2)n1	1964500372	JFQYTDLKEWYYJC-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
CN(C)NC(=O)N1CC[C@](O)(CC(=O)O)C1	1976906999	IOGCGTSBMYEKPG-VIFPVBQESA-N	231.252	-0.916	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CC[C@H]2C[C@@H]21	1979019258	LDBDLGSCENXDIU-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccc(N2CCC23CCC3)nc1	1981408529	BOPOCKLYELKWDJ-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
CS[C@H]1CCN(c2ncc(B(O)O)cn2)C1	1981416631	QVQVJDKISYZLAV-QMMMGPOBSA-N	239.109	-0.902	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	1981422490	PFTMBKXRVBJHBN-LDYMZIIASA-N	218.065	-0.392	50	10	BBGE	
CCCN(OC)c1nc(C)ccc1B(O)O	1981446445	YOYZFEZXKSPOCP-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
CON(c1ncc(B(O)O)c(C)n1)C(C)C	1981448226	ZTBGUKPVFQAIOP-UHFFFAOYSA-N	225.057	-0.759	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)[C@@H](C)CO1	1981472412	QFMZZMCWUNUEDI-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
C[C@H](CCOCC(F)(F)C(=O)NN)N(C)C	1983694148	OCJPRSJUBGNNEC-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
CN(CCCC(=O)NN)[C@H](CCO)C(F)F	1984132089	MXVWJWIJVXPTEN-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)C(F)(F)C(F)(F)F	1985704010	ZLMGQVPNUZSNRD-UWTATZPHSA-N	249.139	-0.321	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)NNC(N)=O)C12CCC2	1988761491	NOPZWSLFYHAYMF-RNFRBKRXSA-N	227.264	-0.109	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1[C@@H](C)F	1990776391	KAXGGBQEMGCVAC-VXNVDRBHSA-N	231.271	-0.024	50	10	BBGE	
C[C@@H](NC(=O)C=CC(=O)Cl)c1nc(=O)o[nH]1	1991648627	QXGMEALMEPREME-SCSAIBSYSA-N	245.622	-0.138	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CCC(=O)NC1	1991648651	RDIFSSLDHOBBSZ-ZETCQYMHSA-N	244.678	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(O)CCNCC1	1991663443	UUPMEACOJOXDTE-UHFFFAOYSA-N	246.694	-0.461	50	10	BBGE	
CN(C[C@H]1COCCN1)C(=O)/C=C/C(=O)Cl	1991705599	HBFHJDHJODQVAP-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
C[C@]1(CNC(=O)NC(=O)CCCl)CC(=O)N1	1994948636	AQRRVDZIQBQVBV-SECBINFHSA-N	247.682	-0.280	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1CCCO	1995117195	GBVJKSZYTKDYNQ-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)C[C@@]12CCOC2	1996643291	HAADLDRGSNRYHN-SOCHQFKDSA-N	239.275	-0.996	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]1c1ncon1	1997763852	BRDAFQNQPDHRPL-BIIVOSGPSA-N	239.279	-0.169	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]1c1ncon1	1997763973	CRIOMQBJOSQMSN-JGVFFNPUSA-N	239.279	-0.169	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](OCCO)C1	2001032295	WFCBOXYTGQXYOH-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]1C(=O)NC1CC1	2003595554	RFJYOWOJOISGCS-VIFPVBQESA-N	240.307	-0.891	50	10	BBGE	
C[C@H]1CCC[C@H]1N(C)c1ncc(B(O)O)cn1	2004915937	FWGNOOSUNVRBBP-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@H]3C[C@H]2CO3)C1	2010834224	ABZGSAWJRXICKB-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
CCC[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	2011676717	MVIFEBRDPOOOIK-DTWKUNHWSA-N	243.307	-0.218	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	2013675953	CZZLEBZNKFXFLS-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
C[C@H]1CCC[C@@H](NC(=O)NCC#CB(O)O)C1	2021115201	KZOZGKQVMQAMQE-VHSXEESVSA-N	238.096	-0.120	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2[C@@H]3COC[C@H]2C3)C1	2021407395	JSTRDTUARUWQKG-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
Cc1ncnc(N2[C@H]3CCC[C@H]2C3)c1B(O)O	2021410194	XQUTZNWSXMSOKM-IUCAKERBSA-N	233.080	-0.404	50	10	BBGE	
NNC(=O)C12COC(CO[C@H]3CC3(F)F)(C1)C2	2023839039	QHXLTFUNHGBBQA-GVWIPJJGSA-N	248.229	-0.050	50	10	BBGE	
CC1CC(C)(C(=O)Nc2ncc(B(O)O)cn2)C1	2040762522	DYMNQXIJXWUKIA-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(C=O)c1B(O)O	2060141758	RPICGMQEIQPBKO-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
COc1cc(C=O)c(C#N)cc1B(O)O	2060189184	AOBPNSQIKIUAKO-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
N#Cc1cnn(C[C@@H]2CCC[C@@H](C(=O)NN)O2)c1	2073540186	HUTBCSBIXBZHSH-UWVGGRQHSA-N	249.274	-0.318	50	10	BBGE	
COCC1CN(Cc2ccc(B(O)O)s2)C1	2211071697	FDVUEXMPSLTQJU-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1Nc1ncc(B(O)O)cn1	2212603431	GACBFPHQFGWFOG-BKPPORCPSA-N	221.069	-0.387	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC(F)(F)C1CC1	2213451485	CUKYOHVRQCMPCQ-UHFFFAOYSA-N	243.018	-0.427	50	10	BBGE	
C[C@]1(CO)CCN1Cc1cccc(B(O)O)c1	2214605225	IZZHQYBFYFHEIR-GFCCVEGCSA-N	235.092	-0.677	50	10	BBGE	
COc1cccc(OC)c1NC(=O)C(=O)NN	2214776352	XKZORYVMTRZPIN-UHFFFAOYSA-N	239.231	-0.368	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2215772900	QUTYPSKNYRBZTJ-YIZRAAEISA-N	242.323	-0.931	50	10	BBGE	
CN1CC2(CCN2CC2(C(=O)NN)CCC2)C1	2216594948	LNJGKXJOARWZJD-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCOC1	2217171653	DCHBXCQOXBIDLW-NSHDSACASA-N	236.080	-0.400	50	10	BBGE	
C[C@]1(COc2ncccc2B(O)O)CCCN1	2217174373	UZYVBMLAMXMZRS-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
N[C@H]1C[C@](F)(CNc2ncccc2B(O)O)C1	2217177556	KGIVAGCBBOHNDV-WKFQBHICSA-N	239.059	-0.997	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@@H](O)C2)c1F	2217179298	JCJYRPWTZPLVGG-NKWVEPMBSA-N	240.043	-0.774	50	10	BBGE	
CC(C)(C)[C@H](CO)Nc1ncccc1B(O)O	2217184888	RWMPDAPGMPIALH-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
CC[C@@H](O)CCCN=c1cc(B(O)O)cc[nH]1	2217198884	HPIOGUPRLRSNEW-SNVBAGLBSA-N	238.096	-0.854	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2CCCCO2)nc1	2217200335	JRNPIFCWEUTWAQ-VIFPVBQESA-N	237.068	-0.863	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2220589542	UCJQCERQUKUAPG-WDEREUQCSA-N	249.075	-0.270	50	10	BBGE	
CN(C[C@@H]1C=CCCC1)c1ncc(B(O)O)cn1	2223676299	ZKYUTWTYUBOFLW-SNVBAGLBSA-N	247.107	-0.051	50	10	BBGE	
COC1(CO[C@@H](C)C(=O)NN)CCC1	2241404932	GLIPEPNJTSVBIP-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383402	XGCUFAVFGIQIAV-RULNZFCNSA-N	223.037	-0.756	50	10	BBGE	
CC[C@](C)(COC)NC(=O)[C@H]1C[C@H]1B(O)O	2243404009	HPMRABODGSIAQK-QXFUBDJGSA-N	229.085	-0.219	50	10	BBGE	
C=C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2243408588	QABMLFUEBCRZGM-MRVPVSSYSA-N	225.053	-0.593	50	10	BBGE	
N[C@H]1CCCC[C@H]1NC(=O)C1(B(O)O)CC1	2243408881	WZSDBAQUNPRZGU-JGVFFNPUSA-N	226.085	-0.621	50	10	BBGE	
CC(C)(O)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243420475	UBFWQNSGEWEBJC-JGVFFNPUSA-N	227.069	-0.921	50	10	BBGE	
CC(C)(F)[C@](C)(F)C(=O)NCC#CB(O)O	2243685353	SDJGRBYBEHLAMF-SECBINFHSA-N	233.023	-0.406	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2C1(C)C	2243801370	KXKOIKFWVPEYMD-DJLDLDEBSA-N	227.308	-0.278	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)s1	2247739251	ZKVYVDSQXJCPCW-MRVPVSSYSA-N	249.100	-0.334	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1ccoc1B(O)O	2247741123	UWXVIENKUFLNQO-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
CC1(C)C[C@@](C)(CO)CN1C(=O)C#CB(O)O	2247747327	LXOCOSVVHSVZSZ-LLVKDONJSA-N	239.080	-0.989	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC2(CC2)C1	2247750669	MQCVVYORZFQNIX-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
O=C(NCC1=CCOCC1)[C@H]1C[C@@H](B(O)O)C1	2247786569	CJHNKGPNRLSNDN-AOOOYVTPSA-N	239.080	-0.298	50	10	BBGE	
CO[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792073	QQTCDMPRANKCLO-GJMOJQLCSA-N	241.052	-0.987	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)[C@H]1C[C@H](B(O)O)C1	2247798512	UXZMMSKBUMDXBZ-OPRDCNLKSA-N	241.096	-0.218	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2CC(B(O)O)C2)C[C@H]1N	2247805161	JRQOVVVOIZOKDF-YNTFGVKOSA-N	240.112	-0.519	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](CO)C12CC2	2247807680	IRETWIWRWTURIV-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@@H]1CCO2	2247846752	LTFYLPAGZUARTG-MWLCHTKSSA-N	237.064	-0.923	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@@H]2[C@@H]1CCC2(F)F	2247848424	LSDLYHZBZOQOSP-BHNWBGBOSA-N	243.018	-0.591	50	10	BBGE	
CC1CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2247851242	XETUYKKANAIECU-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
COc1ccc(C(=O)NC2CC2)cc1B(O)O	2247856772	NPVXPFCHSKLZDM-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
C[C@]1(CO)C=CCN1C(=O)C1CC(B(O)O)C1	2247859362	MHIMHJNHTKEVJR-NWGYLPEXSA-N	239.080	-0.611	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2CC[C@@H](C1)N2	2247859560	NVJIHDKHCAXFMF-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)no1	2247894037	BPDYCHPHZCUMPT-IUCAKERBSA-N	238.052	-0.196	50	10	BBGE	
O=C(NCC1(F)CCOCC1)[C@H]1C[C@H]1B(O)O	2247900023	SHDMXFZFGKHSRF-JGVFFNPUSA-N	245.059	-0.516	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2C[C@]2(O)C1	2247904861	RAQMYCJKGQCQFZ-CKEKPRIKSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2[C@@H]1C[C@H]2O	2247909789	LORGAKNQCJPRBN-CVPUBMOQSA-N	239.080	-0.779	50	10	BBGE	
O=C(O)CN(CC1CC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2248573831	KBJWPKMIPLVUSD-SFYZADRCSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)CC(=O)O	2248575152	YCPBZQAJICNLIR-BIIVOSGPSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576079	DESUZQIMLMPBIC-DAGMQNCNSA-N	241.052	-0.781	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@H](C)CF)oc1B(O)O	2249302893	RGLKSZPIWMMZAH-SSDOTTSWSA-N	243.043	-0.302	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CC[C@@H]21	2249427463	GSMYYYYFGKYNBY-XCBNKYQSSA-N	235.048	-0.416	50	10	BBGE	
CCCn1cnnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2250324131	CKAUPDAQIZVPMX-BQBZGAKWSA-N	238.056	-0.511	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(OC(F)F)C1	2250729861	REARMBGZIDUWLW-UHFFFAOYSA-N	247.006	-0.864	50	10	BBGE	
N#CC1=CCN(C[C@@H]2CO[C@@H]3CNC[C@@H]3O2)CC1	2253908190	SKUJYERTXYYARG-UPJWGTAASA-N	249.314	-0.102	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@H]32)c(B(O)O)c1	2255509334	JSPLOGQJWCWUKG-BXKDBHETSA-N	245.087	-0.091	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2255509956	QTILZQHFBJXCMJ-GDGBQDQQSA-N	245.087	-0.187	50	10	BBGE	
CC(C)C1CN(C(=O)c2ncccc2B(O)O)C1	2255519822	BTOYNSJNNFFKGB-UHFFFAOYSA-N	248.091	-0.511	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ncncc2B(O)O)C1	2255520410	KFXRLXFUFYDVLX-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
C/C=C/CCCNC(=O)c1cncc(B(O)O)c1	2255528863	DIPVBRNVDODNTH-NSCUHMNNSA-N	248.091	-0.153	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1[C@H]2CCC[C@H]1CC2	2255548998	OQSCCUJKJPJWNV-YUMQZZPRSA-N	249.079	-0.753	50	10	BBGE	
Cc1ccnc(C(=O)NC2CCCC2)c1B(O)O	2255581741	QZJSLNLSHCIHKM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2cncc(B(O)O)c2)C1	2255710465	LBKGUVVNZDFDEO-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(F)ccc1B(O)O	2255718797	AOOVMNVWCJBYDN-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ncccc2B(O)O)[C@@H]1C	2255722456	OSALDIYVJCMSKY-HTQZYQBOSA-N	248.091	-0.607	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1coc(B(O)O)c1	2255728990	OPVNKKZQJGWVLA-FNCVBFRFSA-N	247.059	-0.656	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255772698	BAGYKAIOZHRKDM-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(=O)cc[nH]2)CC1	2257499861	SGFCYEGGEMHDKU-UHFFFAOYSA-N	247.254	-0.134	50	10	BBGE	
C#CC1(NC(=O)c2cncc(B(O)O)c2)CCC1	2259905303	WDAUSNPOPMMOHQ-UHFFFAOYSA-N	244.059	-0.953	50	10	BBGE	
CN1CCC[C@H]2CCN(CCC(=O)NN)C[C@H]21	2299137370	PRTZNBIDDCUZAP-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1ncccc1B(O)O	2300057707	WSNBVKPWJTZRQQ-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H](N)C1	2301341932	UWMMKOJKABWNRT-MGCOHNPYSA-N	231.064	-0.860	50	10	BBGE	
CN(CC(F)F)c1ccc(C=O)c(B(O)O)c1	2301452169	DGTMZRQAKCDFNY-UHFFFAOYSA-N	243.018	-0.120	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C)CCCC(=O)NN	2302062051	YMCXYNIWZCLIDK-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2OC	2302208639	XIDOSACFIQKWIG-UTINFBMNSA-N	243.307	-0.900	50	10	BBGE	
CC[C@@H](COC)Nc1cc(B(O)O)c(F)cn1	2303834189	BDUUGKFYKCGSSU-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
CC[C@@H](CNC)Oc1cc(B(O)O)c(F)cn1	2303852464	MEPLKHKWWPXGNF-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2306893078	CUTFXILYDLYNFA-GUBZILKMSA-N	242.128	-0.352	50	10	BBGE	
C[C@H](NC(=O)C1(O)CC1)c1cccc(B(O)O)c1	2317841163	BLVLLSGQZKFGRT-QMMMGPOBSA-N	249.075	-0.932	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC(N=C=O)CC1	20258010	KZQZPYYBAZPHQW-UHFFFAOYSA-N	233.293	-0.407	50	10	BBGE	
CNC(=S)NNC(=O)c1ncoc1C	38417165	XNFSVIJUQGYQEU-UHFFFAOYSA-N	214.250	-0.278	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2c1OCCO2	70488704	COKUNKUGGHNCEF-UHFFFAOYSA-N	237.215	-0.229	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)CC1	82466000	CWECTYQUAONEIP-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
N#Cc1nccn1Cc1ccc(C(=O)NN)o1	94940823	NBERSHBHTVBACW-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H]1N(C)C	125709312	QVGAPOBGGPWOHI-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
N#C[C@H](Cl)CN1CC(=O)NC(=O)C1	132549713	BVFVUOZFAHLLPX-YFKPBYRVSA-N	201.613	-0.924	50	10	BBGE	
COC(=O)[C@@H](Cl)CSCC(N)=O	166253036	NZADLKLOTKVRNM-BYPYZUCNSA-N	211.670	-0.015	50	10	BBGE	
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NN)C1	202635432	TWSJAOFEDPFMOG-SSDOTTSWSA-N	245.279	-0.388	50	10	BBGE	
OB(O)c1cncc(OCc2ncccn2)c1	203524096	YHFCCALVDGUIEG-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
C[C@@H](O)CSc1cccc(B(O)O)c1	203610685	BAQXVDBRJKXJEE-SSDOTTSWSA-N	212.079	-0.161	50	10	BBGE	
CCO[C@@H](C)CN1CC(=O)OC(=O)C1	229029221	PYAHKXOOYWLXJF-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
Nc1ncc(Br)cc1B(O)O	238675013	FZRBMKFTDBVGRU-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)OC[C@@H]1C	251776588	MRTYGCRAILOUCR-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
COC(=O)[C@@H](N)COC(=O)C(Cl)Cl	308132152	KEIAXJLVFDGPIY-VKHMYHEASA-N	230.047	-0.166	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccccc1F	309439200	IATMBAGGBVBRTC-UHFFFAOYSA-N	225.223	-0.194	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCCn1cncn1	311008112	LGMDZVRTDSEDDB-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
C[C@@H]1OCCN(Cc2cccc(B(O)O)c2)[C@H]1C	380309461	SBVHUSXKBHQOMK-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@](C)(CO)C1	381348824	HLGWRVJJSLGXGL-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
COc1cc(B(O)O)cc([C@H]2CCCNC2)c1	382637610	HSSVWRPTAFGREI-VIFPVBQESA-N	235.092	-0.158	50	10	BBGE	
Cc1nc(N2CCCC[C@@H]2C)ncc1B(O)O	382736409	XHFIKUAGPQYSFR-QMMMGPOBSA-N	235.096	-0.156	50	10	BBGE	
O=C(CCl)NCCc1nc(O)n[nH]1	388234171	NSYRBGVOHZELAV-UHFFFAOYSA-N	204.617	-0.592	50	10	BBGE	
C[C@@H]1CN(Cc2ccoc2C(=O)NN)C[C@@H]1O	388613501	MQDCUQQRWRBZNN-APPZFPTMSA-N	239.275	-0.304	50	10	BBGE	
CC(C)(C)c1ncn(CCC(=O)NN)n1	389615404	GHSUCQYFNMBWMR-UHFFFAOYSA-N	211.269	-0.044	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1COC(C)(C)C1	396564518	VDVGVQYLGWYUMH-JGVFFNPUSA-N	215.297	-0.136	50	10	BBGE	
Cn1nnc([C@H]2OC[C@@H](CCl)O2)n1	575519388	IWOZTKVASCWYIE-XINAWCOVSA-N	204.617	-0.137	50	10	BBGE	
C=CC[C@@H](CO)NCc1ccccc1B(O)O	585038921	KOLVZWRMVNATNK-NSHDSACASA-N	235.092	-0.607	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](OC)CC1	692058494	ARMLLOYMHXHECX-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
N#CC1(O)CCN(C2=NC(=O)CS2)CC1	692070657	NNOGEIJKOIRCGK-UHFFFAOYSA-N	225.273	-0.034	50	10	BBGE	
Cc1nn(Cc2ccoc2C(=O)NN)c(=O)o1	694864546	MYFCMCWTNLAJHC-UHFFFAOYSA-N	238.203	-0.610	50	10	BBGE	
C[C@@H](CN(C)Cc1cnccn1)C(=O)NN	700074893	NGHOBJVVDAWQDZ-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
CC1CN(Cc2nc(C(=O)NN)co2)C1	704963021	JOCOIWMXXYQYPE-UHFFFAOYSA-N	210.237	-0.270	50	10	BBGE	
OB(O)c1cccc(OCCN2CC[C@H]3C[C@@H]32)c1	707084417	FPUHRTXLGXXEGP-GWCFXTLKSA-N	247.103	-0.161	50	10	BBGE	
CC(C)(CCN1C[C@H]2COC[C@@H]2C1)C(=O)NN	718261196	UUABNRRUECNNGN-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CC23CC3)c1	722827143	QUVDZVHGXWEJLE-QMMMGPOBSA-N	219.049	-0.060	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@]1(C)CO	722998583	ACBHMRNKZWMXLZ-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCl)N[S@@+]([O])(=O)c1c[n+](C)n[nH]1	725702732	CHTZCMCPTZUXLX-OVZGEXIGSA-O	239.708	-0.430	50	10	BBGE	
O=C(NN=CC[C@@H]1CCOC1)[C@@H]1COCCO1	765581493	QRSDHVRVNAQISP-ZJUUUORDSA-N	242.275	-0.070	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	824156123	JHJAOZYTAAHXEM-GMSGAONNSA-N	245.279	-0.829	50	10	BBGE	
C[C@H](CC(=O)NNc1ccccn1)NC(N)=O	847667603	CVTNRWPDOJTBBD-SSDOTTSWSA-N	237.263	-0.028	50	10	BBGE	
CNC(=O)CC(=O)NNc1cccc(C)n1	862520721	BGVMEGNVCCPLPL-UHFFFAOYSA-N	222.248	-0.031	50	10	BBGE	
CCC/C=C\[C@@H](O)C(=O)NN(C)C(N)=O	901279473	RMAFQVBCWFNQBM-KXTMECRCSA-N	215.253	-0.255	50	10	BBGE	
O=C(CO)NNC(=O)NC1CCCCC1	1290181679	ORBUJFJWFWEGKH-UHFFFAOYSA-N	215.253	-0.358	50	10	BBGE	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1	1300694650	UPYZCCCUHJKSQY-HTRCEHHLSA-N	240.263	-0.422	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1cn(CC)nn1	1543991180	JZBOPRQWRXGRAZ-UHFFFAOYSA-N	240.267	-0.809	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)c1ncon1)C(C)C	1627100384	YWEUVUJZKYNXTQ-LURJTMIESA-N	242.235	-0.498	50	10	BBGE	
Cc1cncc(CCC(=O)NNC(=O)CO)c1	1641423744	GPEFYQXMCFYANN-UHFFFAOYSA-N	237.259	-0.538	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1ccc(=O)n(C)c1	1653053716	PWQXTQJLQOQCSJ-ARJAWSKDSA-N	235.243	-0.278	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@@H]1C[C@H]1Br	1877334441	PIAFNHSNVFLTDY-PHDIDXHHSA-N	249.108	-0.026	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@](C)(O)[C@@H](O)C1	1877551771	ULTIUWZRSQJMGD-BKPPORCPSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](NC(=O)C=CC(=O)Cl)C(N)=O	1883627803	ZNDPSIYRKRJZPL-BYPYZUCNSA-N	204.613	-0.702	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C[C@H](O)CCl	1885616005	HLUHTZWGVSIEMK-BWZBUEFSSA-N	223.700	-0.598	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC(CF)CF	1886033558	OTPRABAYKLGKGA-CAHLUQPWSA-N	208.208	-0.063	50	10	BBGE	
C[C@H]1OCC[C@@H]1CC(=O)NNC(N)=S	1892661338	DREVYVDQGKAOII-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1C[C@@H]1CF	1897138167	LEUAOIOVBDNJLK-ZXFLCMHBSA-N	227.044	-0.191	50	10	BBGE	
NNC(=O)CCCCCCN1CC[C@@H](O)C1	1900666378	NKUIQZCWJOXBFV-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
C[C@H](NC(=O)NCCC#CB(O)O)C1CC1	1901477287	VKMPVYMWQXYPQC-QMMMGPOBSA-N	224.069	-0.510	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1ncc(B(O)O)cn1	1909569095	IHSDDBJSCLZORJ-SFYZADRCSA-N	239.059	-0.802	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2COCC[C@@H]21	1909729888	IPSZDLMMIWWPQX-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
CO[C@@H](C)COC[C@]12C[C@](C(=O)NN)(CO1)C2	1911212606	FTBXNPCPELSNEB-LSJOCFKGSA-N	244.291	-0.423	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@@H]1COC(C)(C)C1	1915598682	RKICESLMRAXDIF-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
C#CCN(CCCl)S(=O)(=O)C1COC1	1923173731	YGROCCRRQKYYEJ-UHFFFAOYSA-N	237.708	-0.111	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(F)(F)F)cn1	1923410689	WJEJKCRRUVEISN-UHFFFAOYSA-N	236.153	-0.257	50	10	BBGE	
O=S(=O)(N[C@@H]1COC[C@H]1Cl)N1CCC1	1929938219	DBZCAIKXHOJNSN-RNFRBKRXSA-N	240.712	-0.467	50	10	BBGE	
C[C@]1(CCl)CN(C[C@H](O)CO)C1=O	1931733188	GPIWIWMSSADRFA-XPUUQOCRSA-N	207.657	-0.573	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC(F)(F)CCN1	1933582750	DYJLVLYEOILZLE-LURJTMIESA-N	207.224	-0.034	50	10	BBGE	
N#CCCN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936090774	JGFFKPSCVVCBFZ-WCBMZHEXSA-N	222.292	-0.010	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1COC[C@H]1CCl	1937178498	ANXDJLKYFYKPOS-RNFRBKRXSA-N	245.670	-0.957	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C)[C@H](C)C(=O)NN	1937468482	WZOWVIPQOSFAHQ-DTWKUNHWSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)CC(N)=O	1938355561	BALWCTGCUFPZDG-CSMHCCOUSA-N	230.312	-0.803	50	10	BBGE	
CC(C)(O)[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1945895173	YRDZXZVVRXOFQF-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCC2)[C@@H](CO)C1	1946314462	DHRFADMIGJYMNF-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
O=C(C[C@@H]1CCOC1)N1CC[C@@H](B(O)O)C1	1951322253	ZNELJDXCKVCIED-DTWKUNHWSA-N	227.069	-0.512	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)C(C)(C)N=C=O	1951453572	GYHLFPUKFDVLRP-QMMMGPOBSA-N	248.304	-0.350	50	10	BBGE	
O=C(CBr)NCc1nc(=O)o[nH]1	1953715124	LVCZLPAJKQPFOA-UHFFFAOYSA-N	236.025	-0.626	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@@](N)(CO)C1	1957243561	YPVBLPNPSHSYEG-BDAKNGLRSA-N	217.700	-0.097	50	10	BBGE	
C[C@H](CN1CCOC2(CC2)C1)C(=O)NN	1960943517	IMAUDJMSKQQBAV-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CCCCN(C)c1ncncc1B(O)O	1961691851	QORYEJDVUWXQNT-UHFFFAOYSA-N	209.058	-0.607	50	10	BBGE	
CO[C@@H](C)Oc1ccc(F)c(B(O)O)c1	1961747580	JBWOWAWAIPDWGB-ZCFIWIBFSA-N	214.001	-0.123	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(N)(C(N)=O)CC1	1962304690	JNPRUEVRLQDSPZ-SSDOTTSWSA-N	230.699	-0.604	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(=O)O)[C@H](F)C1	1978710256	YCINPQJROHJVGC-RNFRBKRXSA-N	233.243	-0.083	50	10	BBGE	
CCOCC1CN(CC2(C(=O)NN)CC2)C1	1979179327	LCTGCVKKRWDLEV-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCC(CO)CC1	1981030239	KCEKJDUDTLBMRG-XNWIYYODSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@](=O)C[C@H]1C	1981190434	CFRVSEYZCQWRHK-LGZSNQIQSA-N	247.364	-0.402	50	10	BBGE	
C[C@]1(F)CCN(c2ncccc2B(O)O)C1	1981421944	HPOZPVSFLDWLJK-JTQLQIEISA-N	224.044	-0.300	50	10	BBGE	
Cn1nnnc1CCN1C[C@@](C)(CCl)C1=O	1982863849	YNKSDKHOVLAGBH-SECBINFHSA-N	243.698	-0.160	50	10	BBGE	
CC1(C)[C@H](O)[C@H]2CCN(CCC(=O)NN)[C@H]21	1984033357	XWNWHVWIJWROGZ-FXBDTBDDSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1C[C@@H]2CN([C@H](C)C(=O)NN)CCN2C1	1985229039	POTITBMPAATAKE-OPRDCNLKSA-N	226.324	-0.609	50	10	BBGE	
COC[C@]1(C)CCN1CC(=O)NNC(C)=O	1990776475	LGULPUZDVGTOSE-JTQLQIEISA-N	229.280	-0.736	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@]1(CO)CCCO1	1991650684	DZGWGDOZOCXDMQ-JTQLQIEISA-N	247.678	-0.034	50	10	BBGE	
CN1CCC(OCC2(C(=O)NN)CC2)CC1	1992114032	QEZOLIAFEOISTR-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C=C(CN(C)[C@H](C)CS(=O)(=O)CC)B(O)O	1992144391	ADRWLOCKWIKOAJ-SECBINFHSA-N	249.141	-0.690	50	10	BBGE	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NCC#CB(O)O	1992154446	YNQYERIVFPPWTJ-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
COCCO[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	1996764781	NGUOXDFICHJTSU-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@@H]21	2000718186	UYRPUDAQJBJQLQ-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
C[C@]12CN(CCCCC(=O)NN)C[C@@]1(CO)C2	2001045825	KFIJJGXUVAMKJB-NWDGAFQWSA-N	241.335	-0.149	50	10	BBGE	
CC[C@H]1C[C@@H](C)CN1c1ncncc1B(O)O	2004919556	AOAUWOKSXMFOHP-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
CC(C)[C@@H]1CCCN1c1ncncc1B(O)O	2004921277	UGQHWUGHSQKRNQ-JTQLQIEISA-N	235.096	-0.219	50	10	BBGE	
Cc1ncnc(OCCOC(C)C)c1B(O)O	2004935851	QVZQVXRBDZUILJ-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
CC(C)[C@H](OCCN1CCOCC1)C(=O)NN	2007033526	ATHWARNKUJUNBH-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
CC1(C)CC(Cn2cccc(B(O)O)c2=O)C1	2008840768	RARGELCBGSBZHV-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	2009520214	JIJKSJYLZYYXQP-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(CN2C[C@H](O)[C@H]2C)oc1C(=O)NN	2011373752	QKTNNTRALDLKAS-APPZFPTMSA-N	239.275	-0.243	50	10	BBGE	
C[C@H]1C[C@@H]1CCCOc1ncc(B(O)O)cn1	2011657280	UVKRSDCURXASRO-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016372059	XCIBVNIEFRBJMS-RRDOJEEWSA-N	239.319	-0.423	50	10	BBGE	
CO[C@@H](C(=O)NCC#CB(O)O)C1CCCC1	2021156873	DRIDYOSJXFHLQB-SNVBAGLBSA-N	239.080	-0.677	50	10	BBGE	
C=C(CN1CC(N2CCC(C)CC2)C1)B(O)O	2021164167	CYKHUIOOMCQNAA-UHFFFAOYSA-N	238.140	-0.029	50	10	BBGE	
Cc1nn(CCCn2cccn2)c(C)c1B(O)O	2028723517	ZXHHNSWHODHAAX-UHFFFAOYSA-N	248.095	-0.533	50	10	BBGE	
NNC(=O)c1cncc(CN2CCO[C@H]3C[C@H]32)c1	2051853006	DESJZWYKMQQSPE-MNOVXSKESA-N	248.286	-0.342	50	10	BBGE	
Cc1nc(N2CC[C@H]2C2CCC2)ncc1B(O)O	2052558299	XTPAHWRWRPPQAT-NSHDSACASA-N	247.107	-0.156	50	10	BBGE	
C#CCOC(=O)NCCc1cccc(B(O)O)c1	2058068410	RRUHOIFKOONUDB-UHFFFAOYSA-N	247.059	-0.732	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1cncc(F)c1	2058155156	KCSRGVSKSAIFFH-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
COc1ccc(C=O)c([N+](=O)[O-])c1B(O)O	2060276636	YIAPKVNXJHIBAN-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
OB(O)c1cccc(COCCn2cncn2)c1	2064611849	OVBAHNWYWPETJO-UHFFFAOYSA-N	247.063	-0.825	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H](C)[C@H]3C2)c1B(O)O	2085518382	FBTMILSBVFBUES-UJNFCWOMSA-N	247.107	-0.443	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CC[C@@H]1C(=O)NN	2209907708	YMULLYAWNOQECE-RQJHMYQMSA-N	219.310	-0.270	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCCC[C@H]21	2210295552	JOTUXAKXEHHLTK-XLPZGREQSA-N	227.264	-0.109	50	10	BBGE	
CC[C@@H](N)CCOc1cc(B(O)O)ccn1	2212611461	BHCJTQSFNNLYOD-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
OB(O)c1cccnc1NN1CCCCC1	2212614390	CMRNBELYNSERNC-UHFFFAOYSA-N	221.069	-0.426	50	10	BBGE	
CC1(C#N)CN(Cc2cccc(B(O)O)c2)C1	2214606189	TYIJPXMPUWLEBR-UHFFFAOYSA-N	230.076	-0.288	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2(CC(O)C2)C1	2215770737	DFHMNMCTRSITOX-WCBMZHEXSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC=CC[C@H]1CO	2215777530	SZUVPDYGNNPINI-GARJFASQSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(CCCO)C1	2216752010	PMWUSPFFZUQEIN-GHMZBOCLSA-N	241.335	-0.293	50	10	BBGE	
Cc1cnc(O[C@@H]2CCN[C@H]2C)cc1B(O)O	2217168807	YBKWOHNIWUSFOY-WCBMZHEXSA-N	236.080	-0.801	50	10	BBGE	
Cc1cnc(O[C@@H]2CN[C@H](C)C2)cc1B(O)O	2217182251	BBVRISGHSXMARA-BDAKNGLRSA-N	236.080	-0.801	50	10	BBGE	
CC[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)CO1	2217182649	BSPHTCMZSXMXMA-UWVGGRQHSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H](N)CCCOc1nccc(B(O)O)c1F	2217193528	VGDQUMQHWSDVCA-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CN1C[C@H](Nc2ccc(B(O)O)cn2)CC1(C)C	2223632126	GAWFMSPMUKLXBS-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
CCCN(c1ccc(B(O)O)cn1)[C@@H]1CCNC1	2223632176	GNGRNWTVWGWUOZ-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)N(C)C1CC1	2223633194	TZTGQMHTEQLGSB-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
Cc1cnc(NCC2[C@@H]3COC[C@@H]23)cc1B(O)O	2223640084	JAEBKNVHUCJKRB-UWVGGRQHSA-N	248.091	-0.626	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@H]2CC[C@H]21	2223642200	GPSQJZBGSMNKQY-DVVUODLYSA-N	247.107	-0.686	50	10	BBGE	
N[C@H]1CCCCCN(c2ccc(B(O)O)cn2)C1	2223645826	ZFCGGCNREKBRMI-NSHDSACASA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CCNC[C@@H]32)c1	2223670338	WODMETINXPMQIM-GARJFASQSA-N	247.107	-0.971	50	10	BBGE	
C[S@](=O)C1(CNC(=O)C2(B(O)O)CC2)CC1	2243359379	RXYNDOYHWWEYBT-INIZCTEOSA-N	245.109	-0.979	50	10	BBGE	
CCN(C)C(=O)c1cc(F)ccc1B(O)O	2243367154	OMOZQCAGZJGYMC-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)sn1	2243378244	PHHHDJSSVQHDDE-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382916	SDCTWCQJHXQBCP-BIIVOSGPSA-N	225.053	-0.366	50	10	BBGE	
CC(C)[C@@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392998	ZFSXIOWEKRNPGJ-IWSPIJDZSA-N	228.101	-0.661	50	10	BBGE	
O=C(O)CCCNC(=O)C1CC(B(O)O)C1	2243395947	FBYJVLYZWYNNSI-UHFFFAOYSA-N	229.041	-0.780	50	10	BBGE	
O=C(N1CC(F)(C2CC2)C1)C1(B(O)O)CC1	2243397713	HYIGUNNJSUTRHC-UHFFFAOYSA-N	227.044	-0.046	50	10	BBGE	
CN(CC1C[C@@H]2C[C@H]2C1)C(=O)C#CB(O)O	2243400644	FOXZMHVZUJZTQN-NXEZZACHSA-N	221.065	-0.494	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1coc(B(O)O)c1	2243409783	OXBFFLOJYLQCIL-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)C1(B(O)O)CC1	2243410405	BBDSJSIWBUDTHA-MRVPVSSYSA-N	228.101	-0.517	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)C1(B(O)O)CC1	2243410413	BFMBAGWICZCKFH-ZETCQYMHSA-N	226.085	-0.668	50	10	BBGE	
O=C(NCc1cnoc1)[C@H]1C[C@H](B(O)O)C1	2243425672	ATIQDGAHPSKYSF-ZKCHVHJHSA-N	224.025	-0.456	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)sn1	2243426032	DEGAKVKYXXKVGF-JGVFFNPUSA-N	240.093	-0.069	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427556	XGCUFAVFGIQIAV-WCTZXXKLSA-N	223.037	-0.756	50	10	BBGE	
Cn1cc(C(=O)OC(C)(C)C)nc1B(O)O	2243452866	OBUHAKJQXQDTPZ-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)ccc1O	2243478100	STZPDDBTXUXIHW-UHFFFAOYSA-N	223.037	-0.788	50	10	BBGE	
O=C(NC1CCCC1)c1ccncc1B(O)O	2247721540	FRPFBIWCNNKKEA-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)CO	2247736819	ZFNYICAPVSSVNE-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
CNC(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	2247736959	APVWQKJAVCVWBU-UHFFFAOYSA-N	246.981	-0.255	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1ccoc1B(O)O	2247741437	ZQJDNKLWQYKVJU-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)C1(B(O)O)CC1	2247750214	GGWQQSMQPVLEEO-JQCXWYLXSA-N	238.096	-0.765	50	10	BBGE	
CC(C)C(C)(C)NC(=O)c1n[nH]cc1B(O)O	2247781722	NEQVGZRNMALWNI-UHFFFAOYSA-N	239.084	-0.746	50	10	BBGE	
CCOC(=O)CCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247791992	PPKDXHUUXIIPLM-JGVFFNPUSA-N	243.068	-0.739	50	10	BBGE	
CCc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)on1	2247796719	CAYJAXXAHYNRNE-RKDXNWHRSA-N	238.052	-0.284	50	10	BBGE	
O=C(NCC12CCC(CC1)O2)[C@H]1C[C@H]1B(O)O	2247805067	ARLOUNXEANQVPO-UVCIYIGYSA-N	239.080	-0.323	50	10	BBGE	
Cc1cc(C(=O)NOC(C)C)ccc1B(O)O	2247855832	YWEAWTJUDWKWPR-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(C)c(B(O)O)c1	2247857079	QLGFRYZMKNDMCN-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247858816	HXNDMJKWUXCOCN-YIZRAAEISA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1ccoc1B(O)O	2247866072	FZQKGGTUCYUMIN-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)cn1C	2247869639	WDIYKFRGNLAMOS-JGVFFNPUSA-N	236.080	-0.909	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C1(F)CC1	2247869643	WEDWTBVWJJFIMY-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1coc(B(O)O)c1	2247871357	ABJPUCQQOZJQGZ-VIFPVBQESA-N	235.048	-0.509	50	10	BBGE	
COC(CN(C)C(=O)C1(B(O)O)CCC1)OC	2247879087	QDUZXGBLOZSNPQ-UHFFFAOYSA-N	245.084	-0.539	50	10	BBGE	
CC(C)C1(NC(=O)c2cc(B(O)O)n[nH]2)CC1	2247885662	PBKAEAOIPISPKX-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
NCC1CC2(CCN2C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887029	JJEPJUYNIMZKCB-VCZAYRLQSA-N	238.096	-0.811	50	10	BBGE	
O=C(NCCCCC1CNC1)[C@H]1C[C@@H]1B(O)O	2247900040	SLCMGRCGBNRLII-UWVGGRQHSA-N	240.112	-0.645	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247906266	XHJHGMACSOHZJF-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ccc(B(O)O)cn1	2248420099	NKMCCDJADWGXHY-UHFFFAOYSA-N	232.048	-0.641	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586555	CQZVBTKMSLCNLD-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
CC[C@H](COC)NC(=O)c1cocc1B(O)O	2249433314	LBOFAJOZWVZUME-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C#CC[C@H]1CCCN1c1ccc(B(O)O)cn1	2249996652	JWLIRURRGOJTLZ-NSHDSACASA-N	230.076	-0.247	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2250993254	KIXSWNXBWBLOBF-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
COCC1(C)CC(NC(=O)C2(B(O)O)CC2)C1	2251463669	DQVDSQCJBULQBK-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1cc(B(O)O)c[nH]1	2255473555	MUFRYNCKWGGDMA-MRVPVSSYSA-N	248.091	-0.433	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2ncccc2C1	2255572602	ZUUHPJHXMLNHRW-ZJUUUORDSA-N	246.075	-0.171	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1ccoc1B(O)O	2255716561	SDZASBQFAMDVHF-SFVIPPHHSA-N	249.075	-0.122	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ncncc1B(O)O	2255734667	FKGGOBPXZUCDKY-QMMMGPOBSA-N	249.079	-0.829	50	10	BBGE	
C#CC[C@H](NC(=O)c1occc1B(O)O)C1CC1	2255741982	HRNSGIQSCDZNTB-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
NCc1cccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2255784694	QJCHQIDCCPJHKU-QWRGUYRKSA-N	248.091	-0.376	50	10	BBGE	
C=CC1(NC(=O)c2c[nH]nc2B(O)O)CCCC1	2255792456	IECOBZNMDSFAGQ-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@@H](C)C1	2257491215	KYPNZDJVGCHUHZ-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2298357591	XZMGIIPMVQVMKR-KGDYZURWSA-N	237.303	-0.083	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2COCC[C@@H]21	2298371109	AEEXXYKWBBKPQI-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](CC(=O)NN)OCCN1CCN(C)CC1	2300926175	JKMUDPNRJRQNJQ-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC[C@H](O)C(=O)Nc1cccc(B(O)O)c1F	2301588433	KLBBTHPEZNMUCQ-QMMMGPOBSA-N	241.027	-0.785	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@H](F)C1=O	2301877655	ROPKWRATHNDPLU-YIZRAAEISA-N	243.282	-0.037	50	10	BBGE	
CC[C@](C)(COC[C@@H]1COCCO1)C(=O)NN	2303421454	RSGDHSOYFZQFFR-GXSJLCMTSA-N	246.307	-0.175	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1n[nH]cc1B(O)O	2312849540	BWOBXTXZGRVFGZ-FJXKBIBVSA-N	249.079	-0.992	50	10	BBGE	
C[C@H]1NCC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317167364	GTLLLELBJIEEOP-LDYMZIIASA-N	246.075	-0.633	50	10	BBGE	
C[C@H](NC(=O)C1(O)CC1)c1ccc(B(O)O)cc1	2317845342	JEZKHPXFFJBCJE-QMMMGPOBSA-N	249.075	-0.932	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cc2c(cc1=O)CCC2	2319840244	UMFQXXCEYCUGAM-MNOVXSKESA-N	247.298	-0.037	50	10	BBGE	
NC(=O)CCCNC(=O)NC(=O)CCCl	37660803	FNMOVTXZUNMYNF-UHFFFAOYSA-N	235.671	-0.293	50	10	BBGE	
C[C@@H]1CCCCN1S(=O)(=O)CCC(=O)NN	41303661	CTQRFCXDQZWYNB-MRVPVSSYSA-N	249.336	-0.429	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN(C)C	58845226	FTBHMQMFDONBAZ-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
CNCCCN(C)[C@H](C(=O)NN)C(C)C	87472915	PUBRCVQSMGCMRN-VIFPVBQESA-N	216.329	-0.458	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCCC[C@@H]2C1	94444407	NUKRPSBTQZJLMZ-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CCn1c(N)c(SC#N)c(=O)[nH]c1=O	167731619	IIBRIHKPKOMYME-UHFFFAOYSA-N	212.234	-0.288	50	10	BBGE	
COCC(=O)NCCNC(=O)[C@@H](C)Cl	169919313	KPUCTQKLSYOBBB-ZCFIWIBFSA-N	222.672	-0.508	50	10	BBGE	
C[C@H](Cl)C(=O)NN1CCN(C)CC1	214605048	KNRJUJDQJZGGTE-ZETCQYMHSA-N	205.689	-0.108	50	10	BBGE	
NC(=O)[C@H]1CCN(C(=O)NC(=O)CCl)C1	236199805	AYPQIUFRNLNBNM-YFKPBYRVSA-N	233.655	-0.731	50	10	BBGE	
NC(=O)[C@@H]1CCN(C(=O)NC(=O)CCl)C1	236252236	AYPQIUFRNLNBNM-RXMQYKEDSA-N	233.655	-0.731	50	10	BBGE	
OB(O)c1ccc(C2CCNCC2)nc1	238644285	PQBYZURRIQXTPS-UHFFFAOYSA-N	206.054	-0.772	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1CCCO	251568324	UAUIOHNXQHHKPY-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@@H](O)C1	306721272	HVTVQIWUTAZOHJ-LURJTMIESA-N	229.685	-0.794	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@](O)(CO)C1	306738806	BXTNJFQENCSHQN-HTRCEHHLSA-N	207.657	-0.431	50	10	BBGE	
CC1C(=NNC(N)=O)CCC1=NNC(N)=O	309513518	SBBIUCOCPFYFGY-UHFFFAOYSA-N	226.240	-0.535	50	10	BBGE	
N#Cc1ccc(CC(=O)CCl)cc1B(O)O	396081149	ZJRZURSAUJKYOO-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(C(=O)OC)c1	396134217	ADTGNUZEPZFTQS-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
N#Cc1c(B(O)O)cc(CO)c2sccc12	396224001	ORCAXBHYOFHXKI-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CC(C)(C)C(=O)NN)C1	401522326	CTGNPDMLDVFJCN-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
Cc1c(-n2nnnc2CCl)nnn1C	606283449	KGBBLPRRERMSDC-UHFFFAOYSA-N	213.632	-0.162	50	10	BBGE	
COC[C@H](Cl)c1cnnn1CC(N)=O	675080641	RUYWPERDRABDMF-YFKPBYRVSA-N	218.644	-0.310	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@H]2CCCC[C@@H]2N1	685990253	HANQCZLOMRHKEK-GUBZILKMSA-N	226.324	-0.548	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cnsc1	687179090	VXOHWMXYWFZWCH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CNc1cc(N2CCC(O)(C#N)CC2)nc(N)n1	692150464	CEWZKJQTIMIVPX-UHFFFAOYSA-N	248.290	-0.045	50	10	BBGE	
OB(O)c1cnn(COCC(F)(F)F)c1	694532359	SADYBERZBDOGHN-UHFFFAOYSA-N	223.947	-0.901	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@H](O)C1	695086632	IZASJMMRACLREP-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CCCO[C@H]1CCN([C@H](C)C(=O)NN)C1	701701127	OLJSFAOVLRUJME-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCn1cc(Cl)cc1C(=O)NCB(O)O	702017471	NHAMMEZOBMYBBX-UHFFFAOYSA-N	230.460	-0.097	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)OCCl)C[C@H]12	703041139	VDNWDTIEEKYVMB-WHFBIAKZSA-N	232.623	-0.476	50	10	BBGE	
C=CCNC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703445798	RELDDVYNDHBALS-YUMQZZPRSA-N	238.243	-0.795	50	10	BBGE	
C[C@]1(Cn2ccc(B(O)O)n2)CC1(F)F	703722112	QHNJCGYZMOVVFQ-SSDOTTSWSA-N	215.996	-0.392	50	10	BBGE	
CN(N)C(=O)[C@@H](NC(N)=O)c1ccccc1	707545970	UYVQSDMPJFZLKJ-QMMMGPOBSA-N	222.248	-0.272	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCC[C@H]1O	708091622	ACNWKOFOBOIONM-ZYUZMQFOSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1	711844754	UVLBEIONLSJEAN-RKDXNWHRSA-N	241.291	-0.702	50	10	BBGE	
C#CC[C@@H](O)CNS(=O)(=O)CCl	717914642	ZXMVMXLZMOAWCO-ZCFIWIBFSA-N	211.670	-0.514	50	10	BBGE	
Cc1conc1C(=O)Nc1ccnc(B(O)O)c1	720531724	OUHBOYMHFRTTND-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCCO2)CCCO1	755171256	ZWUZYICFKGSGQK-GZMMTYOYSA-N	242.275	-0.118	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)[C@H]1CCCO1	817214235	FCFMTLACWYEHDR-RYEJSQLPSA-N	228.248	-0.485	50	10	BBGE	
CCC1(C(=O)NNC(=O)c2cn(C)nn2)CC1	855188148	AIQDJMQFFFNJHX-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ncon1	1157784149	VSRQBCJSUWRSOB-RITPCOANSA-N	240.219	-0.744	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NN(C)C[C@@H](C)O	1299011903	YKJOBWBXILKRIV-VHSXEESVSA-N	231.340	-0.082	50	10	BBGE	
CON1CCC(C(=O)NNC(=O)C2CC2)CC1	1329230213	DYFCNHKNNWLLKB-UHFFFAOYSA-N	241.291	-0.183	50	10	BBGE	
CC(=O)NNC(=O)C1(C#N)CCOCC1	1440712531	IQAZFAMZOBHFKA-UHFFFAOYSA-N	211.221	-0.526	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cnnc(O)c1	1542404860	YKYHWOPKELPNRD-UHFFFAOYSA-N	239.235	-0.464	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cccc(B(O)O)c1	1583407865	HIBVAPAJCJSCEI-QMMMGPOBSA-N	235.048	-0.398	50	10	BBGE	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cccnn1	1597260522	OTZYXYLDYCXYDP-CAHLUQPWSA-N	237.219	-0.583	50	10	BBGE	
Cc1nnc(NNC(=O)c2cc(O)ncn2)n1C	1641056954	DWIUAABKTYYECD-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
Cn1nncc1NNC(=O)c1ncc[nH]1	1648815984	GWIHVLLOJPDPQL-UHFFFAOYSA-N	207.197	-0.705	50	10	BBGE	
O=C(NC[C@@H](O)C(=O)O)[C@@H]1C[C@H]1Cl	1883634724	NTSMJULQFYDPLO-UOWFLXDJSA-N	207.613	-0.825	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CC(=O)NC1=O	1884196167	RIGUQQQWNJXCTN-IMJSIDKUSA-N	204.613	-0.855	50	10	BBGE	
O=S(=O)(CCCCl)NCC[C@@H](O)CO	1885778003	QOPCTJQPKKVGMZ-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
COC(=O)NC[C@H]1CCN1C(=O)NN	1887053229	IOKZNPZPCTWIQP-RXMQYKEDSA-N	202.214	-1.000	50	10	BBGE	
CN(NC(=O)N1CCCC1)S(C)(=O)=O	1888554947	SAKJOBBPVMCHRO-UHFFFAOYSA-N	221.282	-0.402	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCNC1=O	1893417009	JWPCRCARMWJYKO-YFKPBYRVSA-N	216.624	-0.687	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@](C)(O)[C@@H](O)C1	1894992939	ULTIUWZRSQJMGD-FJXKBIBVSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[S@@]1=O	1895089632	LJQWKWRQCGIFED-HKVZHJOJSA-N	245.348	-0.935	50	10	BBGE	
C=C(COC(COC)COC)B(O)O	1895147914	DLFMWIIHJPBBCC-UHFFFAOYSA-N	204.031	-0.767	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](O)C[C@@H]1CO	1899605338	IXZNMIIWXHBLDU-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CC[C@@H]2C)s1	1899938965	UMPNVMNJWXSMGT-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
COC[C@@H](N1CC(=O)OC(=O)C1)C(F)(F)F	1900073544	MMXSDNDXTDKMKZ-RXMQYKEDSA-N	241.165	-0.051	50	10	BBGE	
CN(C)CCOCCC[C@H]1C[C@H]1C(=O)NN	1900496325	SVGXSGICGBLOIX-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1Nc1ncc(B(O)O)cn1	1901155525	BUEPANWUXBCLTI-QMSLJYSESA-N	221.069	-0.387	50	10	BBGE	
OB(O)c1ccc(F)cc1OC[C@@H]1CCO1	1901307511	RTDGKNGRSDNAEE-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
CN(NC(=O)CC[C@H]1CCCN1)S(C)(=O)=O	1901344041	KBYYLLOLIJSLIW-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](N)CC(N)=O	1901998334	WELVARSXEBEMTE-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
O[C@H]1[C@@H](CF)N(C[C@@H]2C[C@@H]2Cl)C[C@H]1O	1905008681	KMFYWYIJWMAHNS-ABXGFROZSA-N	223.675	-0.011	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1905798050	AKSZNXYSLCUALW-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)[C@@H]1C[C@H]1F	1907456824	AJJZFCTXYHKQET-IYSWYEEDSA-N	241.002	-0.198	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](C2(O)CC2)C1	1908846772	UOWBBLDRVYYVDM-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@@H](C)C1=O)C(=O)NN	1912243311	AMMWOJRCSXNJDB-XLPZGREQSA-N	213.281	-0.273	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC2(COC2)C1	1915568295	NQFQJEVTTHORMF-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@H](C(=O)NN)C(C)(C)C	1916202910	SVINTNZWUDNMCO-HTQZYQBOSA-N	244.339	-0.543	50	10	BBGE	
N#CC1(O)CCN(C(=N)N2CCOCC2)CC1	1921751671	YYKSCWCCAZFNMT-UHFFFAOYSA-N	238.291	-0.396	50	10	BBGE	
CN(C)NC(=O)NC1(C(=O)O)CC=CC1	1923170349	GRJWIUSADZBWGW-UHFFFAOYSA-N	213.237	-0.064	50	10	BBGE	
CC[C@]1(F)CCN(C(=O)C(=O)NN)C1	1925550835	IZAPBGYMYRHJTQ-QMMMGPOBSA-N	203.217	-0.673	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)c(O)n1	1927915478	HIGXIIDJJBIRIG-NKWVEPMBSA-N	210.237	-0.477	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC1CCOCC1	1927916484	DYEJWQQXXDQVOE-VXNVDRBHSA-N	214.265	-0.192	50	10	BBGE	
O=C(Cn1cnnn1)NCC1(CCl)CC1	1928697281	XPYGELPVBPQESG-UHFFFAOYSA-N	229.671	-0.192	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2cnn(C)n2)C1	1928756014	QPJBTPGZXGTLAC-IUCAKERBSA-N	229.715	-0.174	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCCCS1	1929834045	VCXOHCAIBOUYNB-ZETCQYMHSA-N	204.295	-0.115	50	10	BBGE	
CC(C)NC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1936095666	ZPGOKYONFYNPKH-JGVFFNPUSA-N	245.348	-0.130	50	10	BBGE	
C[C@H](O)CN(CC1(C(=O)NN)CC1)C1CC1	1938249003	OCCSKPDJXKHJOZ-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)CCCCC1=O	1940895369	HAOALSHGHPGILT-UHFFFAOYSA-N	249.217	-0.459	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@H](O)[C@H]2C1)C(=O)NN	1945657466	CRPIIEWQWBXPDY-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](CC(N)=O)N(C)[C@@H](C(=O)NN)C(C)(C)C	1946076375	RVJFZFHQTCPMFC-APPZFPTMSA-N	244.339	-0.413	50	10	BBGE	
NNC(=O)C(=O)N1CCCCC12CCOCC2	1946272495	ORKAANBCCLLEMN-UHFFFAOYSA-N	241.291	-0.462	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)C[C@@H](O)C1	1954546023	CLHLDVAZTPVLOT-KNVOCYPGSA-N	207.657	-0.431	50	10	BBGE	
CN(C)C(=O)OCCCNC(=O)NN	1955609445	UGJQKMOCXUVTEJ-UHFFFAOYSA-N	204.230	-0.752	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)N1CC(C#N)C1	1956212927	FWTXLLYQBFGLFT-LURJTMIESA-N	237.712	-0.097	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)C[C@@H](O)CCl	1956254625	NTAHXOKFEATYDG-SFYZADRCSA-N	222.716	-0.100	50	10	BBGE	
COC1(CN(C)CC(=O)NN)CCC1	1956526121	WYUYWKMBQHYUKV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
O[C@@H]1CN(CCOCCCl)[C@H]2COC[C@H]12	1958131515	ADKCDJJVZLSPCX-LPEHRKFASA-N	235.711	-0.067	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1958805289	QUZJZKSOSFVZAH-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C=C(CCl)CN1CCN(CC(N)=O)CC1	1960156143	PJZFPRYMTMJBLP-UHFFFAOYSA-N	231.727	-0.116	50	10	BBGE	
OB(O)c1cnc(-n2cccn2)c(F)c1	1961723960	PJEQABWEVZTTET-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
C[C@H](CN1CCN(C)[C@@H]2CC[C@H]21)C(=O)NN	1980229389	RWRRMEIIGAVFMR-OPRDCNLKSA-N	226.324	-0.609	50	10	BBGE	
CC(C)N(CC(=O)NN)Cc1ccnn1C	1980752477	BAFZHUMXMDVAIO-UHFFFAOYSA-N	225.296	-0.380	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2OCCC[C@H]2C1	1980815040	ADTMLMWNRJPXBQ-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2(CCO2)C1	1981146379	XNSSMIKXZJNRRZ-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(C)(F)F)n1	1981421517	AXCVEPVUHJUJQR-UHFFFAOYSA-N	231.995	-0.501	50	10	BBGE	
CCOC1(C)CN(c2nc(B(O)O)cs2)C1	1981472082	NKGCWRTUUIXVMO-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
O=C(CCCl)N1CC(=O)N2CCOC[C@@H]2C1	1986929248	KUHWKPBUKKSKKV-QMMMGPOBSA-N	246.694	-0.315	50	10	BBGE	
C[C@H](CN1CC[C@@H](C2(O)CC2)C1)C(=O)NN	1987339712	CAOWJSAXABRXKU-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
O=C1CN([C@@H]2CCN3CC[C@H]2C3)CC(=O)O1	1989763483	HTECCNYUDMNQGG-DTWKUNHWSA-N	224.260	-0.534	50	10	BBGE	
COCCN1C[C@H](O)[C@@H](NC[C@H]2C[C@H]2Cl)C1	1991436797	BGRSBSPXSGCAMU-ZNSHCXBVSA-N	248.754	-0.105	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@H]1[C@@H](O)CO	1991650371	BQXPXHGQUNECAO-YUMQZZPRSA-N	247.678	-0.348	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](CO)C[C@H]1CO	1991651090	RDWRLUCPCHYHRK-YUMQZZPRSA-N	247.678	-0.490	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](CO)[C@@H](CO)C1	1991652774	RLWPJRARSZBESC-HTQZYQBOSA-N	247.678	-0.633	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CCNC(=O)C1	1991654923	PWFNKKDAVBHXJL-SSDOTTSWSA-N	244.678	-0.050	50	10	BBGE	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1991687367	UPZHPQZJUHMVBV-YWIQKCBGSA-N	247.678	-0.252	50	10	BBGE	
CC1(C)COCC[C@@]1(C)NC(=O)C(=O)NN	1992184693	SGZRMSHREKKDFQ-SNVBAGLBSA-N	229.280	-0.702	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CCCC3)(C1)C2	1993891105	MMZVVFLDRHQIBY-XYPYZODXSA-N	225.292	-0.379	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccc[nH]1	1996648299	YEPPTXFNJUXQSB-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
COc1cc(CN(C)CC(=O)NN)cc(C)n1	2002012423	DYTMAZDLPUPPAY-UHFFFAOYSA-N	238.291	-0.180	50	10	BBGE	
CC(C)NC(=O)C1CN([C@@H](C)CC(=O)NN)C1	2002651961	IXOWSMZPLNALTR-QMMMGPOBSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CN1CCCN(C2CC2)CC1)C(=O)NN	2003817466	HFDMVTXHYGUFHY-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
COC[C@@H](Oc1ccc(B(O)O)cn1)C(C)C	2004951602	NUMFJQJGTAFHDL-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc(C(F)(F)F)n1	2009572822	ABMCRBQCUJZHGJ-UHNVWZDZSA-N	249.196	-0.077	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014825807	SUKGZHIZELZNGR-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1C2CCN(CC2)[C@@H]1C	2017625913	ZYRVEKRKOCGDIJ-YWVKMMECSA-N	240.351	-0.221	50	10	BBGE	
COc1ccc(C(=O)NCC=CB(O)O)cc1	2020057834	VYHKRXHSDRMTOP-UHFFFAOYSA-N	235.048	-0.007	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CCCC[C@@H]21	2021156654	ASNBVMDVGXQRPU-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
O=C(Cc1ccc(O)cc1)NCC#CB(O)O	2021162716	KJZSNBQFBVQPEX-UHFFFAOYSA-N	233.032	-0.934	50	10	BBGE	
COC1(C(=O)Nc2cc(C)cc(B(O)O)c2)CC1	2047752357	JQIOPCRFALSRMM-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@H]1CCN(C)C1	2052499245	PZRCURMWMYNTIC-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
C[C@H]1C[C@@]1(C)Cn1cnc2c(B(O)O)ncnc21	2070919406	WRAJUYOMGFWRIH-CPCISQLKSA-N	246.079	-0.448	50	10	BBGE	
CN1CCC[C@H](OCc2ccccc2B(O)O)C1	2077337762	MIMZODNUKQZBPX-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC=C[C@@H]1CF	2082874825	YXLNPUUOWVIJRL-LLVKDONJSA-N	249.050	-0.284	50	10	BBGE	
COC[C@H](OCC1CC(OC)C1)C(=O)NN	2212233160	GJPAGGIZQBDJKX-HACHORDNSA-N	232.280	-0.567	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3C2=O)CCC1	2212250930	YFGOIRTYDMTZIA-JGVFFNPUSA-N	223.276	-0.375	50	10	BBGE	
NCCOCCSCC1(C(=O)NN)CCC1	2212267021	RXVOYKDAYSDGQK-UHFFFAOYSA-N	247.364	-0.145	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC12CC(F)(F)C2	2212395329	CWCCBWQABYDVRK-RXMQYKEDSA-N	233.218	-0.330	50	10	BBGE	
CC1CC(CN=c2ncc(B(O)O)c[nH]2)C1	2212612388	KTLKBPVAUOYFNT-UHFFFAOYSA-N	221.069	-0.964	50	10	BBGE	
C[C@H](CC1CC1)Nc1ncc(B(O)O)cn1	2212613300	UCZDQBFONPCPTK-SSDOTTSWSA-N	221.069	-0.243	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)[C@H]1C[C@@H](O)C1	2212781404	COEZIFZOIMYXQI-KNVOCYPGSA-N	240.263	-0.767	50	10	BBGE	
N#CCC1CCN(CCOCC(=O)NN)CC1	2215513686	VQJGTXKYQISOCO-UHFFFAOYSA-N	240.307	-0.381	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2(CCCO2)C1	2215772770	PWWZOGVWQZPIEL-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C(CO)[C@H]3C2)CCC1	2216530211	MPUYEKWSWIQFFZ-IUCAKERBSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCOC3)C2)CCC1	2216533274	YXZZNIPSUPRMHD-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
NNC(=O)C1(CN2CC(CO)C2)CCCCC1	2216881828	PTYQLYAQTDGMLD-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
NC1(CCOc2ncccc2B(O)O)CCC1	2217168145	SHPBKKJGMLFPPS-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
CC[C@H](C)[C@H](CO)Nc1ncccc1B(O)O	2217177487	JMKJKIJIYLODCF-WPRPVWTQSA-N	238.096	-0.420	50	10	BBGE	
CC[C@@H](CCCN)Oc1ccc(B(O)O)cn1	2217188268	LQSFWDODORMPKH-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
CC(C)C[C@@H](CO)Nc1cc(B(O)O)ccn1	2217198177	XRKCBIGXSQCQKT-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCC[C@@H]1O	2217203995	CVHSXOCJMCOGIP-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	2221562375	PYVGVPQPAWVSNK-FJCSBZGASA-N	249.314	-0.131	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CCOC[C@H]1C2	2223626724	JBZCELCNKPRRGQ-SKDRFNHKSA-N	248.091	-0.400	50	10	BBGE	
C[C@@H]1OC2(C)CC1(Nc1ncccc1B(O)O)C2	2223635494	XTYXYRMYCDZFJK-RKWZHAFESA-N	248.091	-0.117	50	10	BBGE	
O=S(=O)(N1CCCOC1)N1CC(Cl)C1	2241353870	NSDOGKVLSHUDOY-UHFFFAOYSA-N	240.712	-0.166	50	10	BBGE	
O=C(CCl)N1CC[C@@H](O)[C@H](O)CC1	2241589169	MFHDFLUYPVLZBX-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
O=C(N1CC[C@H](CO)C1)C1(B(O)O)CCC1	2243346587	BBMAQKQWANRKDB-QMMMGPOBSA-N	227.069	-0.776	50	10	BBGE	
C[C@H](CN(C)C)NC(=O)C1(B(O)O)CCC1	2243346759	CCQSWMCIUSAILP-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)C#CB(O)O	2243362075	LOQMJYIZAHLHFR-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
O=C(NCc1cnsn1)[C@H]1C[C@@H](B(O)O)C1	2243382281	MSSUTHHEECDEHP-OLQVQODUSA-N	241.081	-0.593	50	10	BBGE	
C[C@@H]1COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243383277	WOMRJQRFZXYBNE-FNCVBFRFSA-N	227.069	-0.610	50	10	BBGE	
O=C(NCc1csnn1)[C@H]1C[C@H](B(O)O)C1	2243391131	GXHMKFHYFOKQSZ-IZLXSQMJSA-N	241.081	-0.593	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CN(C)C1	2243393028	ZOIZKUMJSJCMFH-DTWKUNHWSA-N	226.085	-0.988	50	10	BBGE	
CC(C)(O)CCNC(=O)C1(B(O)O)CCC1	2243399110	WRJDIYKANUVSBY-UHFFFAOYSA-N	229.085	-0.339	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)CCCO1	2243401412	QRQHHSWXNSGUME-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
COC[C@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243404491	PBGXRQWZUIVBAY-IWSPIJDZSA-N	229.085	-0.362	50	10	BBGE	
C=C(CS(=O)(=O)N1CC2(C)CC1C2)B(O)O	2243419836	HRBUVGXFNIRTQO-UHFFFAOYSA-N	245.109	-0.631	50	10	BBGE	
Cc1ccnc(N(C)[C@@H](C)CF)c1B(O)O	2244148580	SNLOHZMAYHLIDO-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cocc1B(O)O	2244205869	OJMHDJSHZBGSEL-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cocc1B(O)O	2244217676	RZTYXZKBIRMZRY-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
CC#CCN(C)c1cc(B(O)O)c(Cl)cn1	2245913201	NQPOVLMXTKZGJM-UHFFFAOYSA-N	238.483	-0.126	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1(F)CC1	2247740115	GHCMOIIXDODHOC-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@@H]1OCC2	2247742265	MOWWGDUOHFMSPE-ONGXEEELSA-N	237.064	-0.923	50	10	BBGE	
O=C(N1C[C@@H]2CNC[C@@H]2C1)C1(B(O)O)CCC1	2247758449	VKCRQMMMVNKDPN-DTORHVGOSA-N	238.096	-0.939	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC=CC[C@@H]1CO	2247788156	ZZPSACSSDQKNFO-KXUCPTDWSA-N	239.080	-0.611	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247789881	CIUIINGDDPKWEV-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(OCC(F)F)C1	2247806953	PFBFBSKISGQTHQ-RNFRBKRXSA-N	249.022	-0.658	50	10	BBGE	
C[C@H](N)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247810647	ZADFPINRJDJGFK-SFGNSQDASA-N	240.112	-0.565	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2247869410	RASDKDJHYXAWOI-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cccc(B(O)O)c1F	2247870280	HMKVSRDGOIKOPV-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
C[C@@H]1[C@@H]2CNC[C@H]2CN1C(=O)C1(B(O)O)CC1	2247872383	RBMWJMHNWUCZRV-VGMNWLOBSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2247878271	IXFJMJYTWIODPQ-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896677	JBEFLCMEGDDKFT-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
CN(CC1(O)CCCC1)C(=O)[C@H]1C[C@H]1B(O)O	2247897526	UIYNOUIECAFALI-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588059	YNXPOEVYRCBAFH-XAMCCFCMSA-N	241.052	-0.687	50	10	BBGE	
O=C(NCc1ccco1)c1cocc1B(O)O	2249415468	FEBWMLZFICHQQO-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CC(F)(F)CCNC(=O)c1cocc1B(O)O	2249416766	WWJVKBXINDWQIF-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
Cc1cncc(C(=O)NCCC#CB(O)O)c1	2250001829	CGNNFPWKDAYBFA-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
C=CC1(NC(=O)c2ccncc2B(O)O)CCC1	2255454478	WRBVYVQWJTYKAG-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1ccoc1B(O)O	2255460322	SDZASBQFAMDVHF-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ncc(B(O)O)cn1	2255471059	NVKBAROUSSDPFW-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
O=C(N1Cc2ncnc(O)c2C1)C1(B(O)O)CC1	2255491104	RSHKXLHKZQECEF-UHFFFAOYSA-N	249.035	-0.969	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2255569436	WEADGBKKVOKYBD-RKDXNWHRSA-N	249.079	-0.051	50	10	BBGE	
Cc1c(NC(=O)C#CB(O)O)cccc1[N+](=O)[O-]	2255668530	AWKDBOGTSCKUGS-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1C[C@@H]2C[C@H]2C1	2255683523	XUXCDSGTZOPQLX-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCC[C@H]1C2	2255690581	DCGVCZDORZMQGU-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@@H]21	2255729753	ACGMBKFNWPXEHI-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
Cc1cnn(C2CN(C(=O)[C@H]3C[C@H]3B(O)O)C2)c1	2255764882	IUNKBZYRRNDDFI-VHSXEESVSA-N	249.079	-0.562	50	10	BBGE	
CCC1(C)CN(C(=O)c2nccnc2B(O)O)C1	2256068178	YCQNPJVFQICDDR-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1CC(C)C1	2257491207	KTQFPQHVNIFXSZ-UHFFFAOYSA-N	248.091	-0.402	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@]12CCNC2	2298368827	ZVGTUQNONJDPJT-IQJOONFLSA-N	238.096	-0.796	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)CC1(O)CC1	2301918588	DPEHMCCFNKLNAY-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2302018483	QRDRBTLWUIDIST-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@](C)(CN1CCO[C@H](C#N)C1)C(=O)NN	2303409695	FVNAQKBFRKVOTD-KOLCDFICSA-N	240.307	-0.383	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2310663362	YCXDTUPRXLELIG-QSKNDCFUSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2O	2312614309	HIXBVLMBSVZZGG-UUTMEEIUSA-N	248.091	-0.667	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1Nc1cncnc1	2317164126	VTVAJGPYALDQEP-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCCO1	2317164603	BMPPAAWBGKXBAO-LLVKDONJSA-N	246.075	-0.171	50	10	BBGE	
N[C@H]1CC[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317313381	VYQJAAFJSXLFPO-UFBFGSQYSA-N	248.091	-0.672	50	10	BBGE	
C[C@H](Cl)C(=O)NCC(=O)N1CCOCC1	41698457	LSSRTNFLZGFXSJ-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
C[C@@H]1CCC[C@@H](C)N1C(=O)COCC(=O)NN	58849852	XGCRRXKBEQWWKO-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)NC[C@@H]1CCCO1	58852342	LZOPSLYJJZNKGQ-SFYZADRCSA-N	201.270	-0.477	50	10	BBGE	
O=C=N[C@H]1COCCN1S(=O)(=O)C(F)F	83877869	XGGMNVYLPIEZDA-RXMQYKEDSA-N	242.203	-0.467	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H](C1)O2)C(=O)NN	85541985	FGFFNPSQFIXMQP-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
CC(C)N(CC(N)=O)[C@H](C)[C@@H](C)C(=O)NN	86313577	NQRCGUWSUSYERB-HTQZYQBOSA-N	230.312	-0.803	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	132499160	CLJQXXCWNCTJME-MAUMQABQSA-N	213.281	-0.933	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\Nc1nc[nH]n1	216556995	ONNQAFJCTOJQSD-ALCCZGGFSA-N	236.235	-0.613	50	10	BBGE	
NNC(=O)c1c[nH]c2ncccc2c1=O	238565172	HEMIQKWPLGPCPR-UHFFFAOYSA-N	204.189	-0.473	50	10	BBGE	
O=c1[nH]c2cc(F)ccc2cc1B(O)O	238643203	MXLSGENJVBDSLX-UHFFFAOYSA-N	206.969	-0.653	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H]1CO	251185278	IAOYUZVUTQJNMF-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](C)O	251358288	RURVSIQJZUHWGO-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CN(C)NC(=O)c1ccncc1C(=O)O	300998593	XMEYXKYONJIVFS-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)C(C)(C)C1	304580131	QNIRCPAIVNCFRA-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1cc(Cn2cnc(C3CC3)n2)on1	381155825	DCIBCMAKJQCHOT-UHFFFAOYSA-N	248.246	-0.205	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCN(C)C[C@@H]2C1	383972265	YRWMPJUJAYHYLY-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](O)[C@H]1C	384912718	QAOBXDGEBDTPCC-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1occc1C(=O)NN	385015487	RVGYWBHRGLHBPZ-JGVFFNPUSA-N	239.275	-0.162	50	10	BBGE	
O=C(CBr)N(CCO)CCCO	385336419	YYSXXTIVYSMQHP-UHFFFAOYSA-N	240.097	-0.415	50	10	BBGE	
C[C@@H](Cl)c1cn(C[C@H](O)CO)nn1	388749159	ZUCVAABSIQWHTH-RITPCOANSA-N	205.645	-0.069	50	10	BBGE	
C[C@H]1CC(=O)N(CCC(C)(C)C(=O)NN)C1=O	395613545	LKYRJZQJJDBMNJ-ZETCQYMHSA-N	241.291	-0.212	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c(S)c1	396029472	WHMGTSYYKMKAMV-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
O=C(O)c1cc(B(O)O)cc2sc(O)cc12	396389074	VLQAOYRSIUHBJH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
Cc1ccc(B(O)O)cc1N[S@@](C)=O	404874507	DFRCDVCJXVPBAC-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cncs1	404908220	GJKYGEAWSUXQCZ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)NC2CC2)c1	405144480	KYYDTONPTGYLOL-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
CC1(C)COC[C@@H]1NCc1ccc(B(O)O)cc1	585044503	LLGPSQXCUGCZKI-LBPRGKRZSA-N	249.119	-0.119	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)[C@H](COC)C(=O)NN	688156298	GXPUZIDCWROMJF-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCCO)C(C)(C)C	689904741	RFDDWLFMOYHBRP-SECBINFHSA-N	247.339	-0.526	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@H](C2CC2)C1	691778781	IWICAKMBJSGNCN-BDAKNGLRSA-N	213.281	-0.524	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CC(N)=O)C(C)C	695062819	RPUXUDITYUKSFL-VIFPVBQESA-N	244.339	-0.413	50	10	BBGE	
NNC(=O)Cn1cnc(C(F)(F)F)cc1=O	697485685	MUCQFSDXGSJHGX-UHFFFAOYSA-N	236.153	-0.748	50	10	BBGE	
O=C(NCB(O)O)c1ncccc1Cl	704261953	YMWPCMFVXSEZHA-UHFFFAOYSA-N	214.417	-0.523	50	10	BBGE	
CCOC[C@H]1CN([C@@H](CC)C(=O)NN)CCO1	705875404	HHOOZNRAICTKAB-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H]1CN(C[C@H](O)CCl)CCO1	706574204	PQBQUKFXWMIKAL-BDAKNGLRSA-N	223.700	-0.067	50	10	BBGE	
CN(C)NC(=O)NO[C@H](C(=O)O)C1CC1	709032319	OXCHCFDKSSETTG-LURJTMIESA-N	217.225	-0.443	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCC(C)(C)C(=O)NN	711139585	HZXUVUVVCWQEOU-SSDOTTSWSA-N	230.312	-0.802	50	10	BBGE	
CN(C)C(=O)N1CCc2cccc(B(O)O)c21	712166329	ZEBZJSZALLYEBR-UHFFFAOYSA-N	234.064	-0.590	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1C[C@@H](C(=O)O)CO1	714058665	FRAVDZCIZIPEEK-RQJHMYQMSA-N	231.252	-0.748	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@@H]2C1=O)C(=O)NN	715549140	NZYLVCWDCVYSAX-SFYZADRCSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3C[C@H]3C2=O)on1	715702480	PBCGMDWYOJUQRD-CAHLUQPWSA-N	236.231	-0.744	50	10	BBGE	
O=C(CCCl)N1CC(CO)(CO)C1	721399108	UQBQXKQDNAKQTR-UHFFFAOYSA-N	207.657	-0.572	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723697319	MZAGCJWCZRGWQY-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CS(=O)(=O)NNC(=O)CCc1ccco1	748212995	FSQSVLGKUCIAOM-UHFFFAOYSA-N	232.261	-0.207	50	10	BBGE	
CC(C)(O)C(=O)NN=C1CCC(=O)NC1(C)C	793040502	HSZPNHSDPJHPMB-UHFFFAOYSA-N	241.291	-0.082	50	10	BBGE	
NNC(=O)NC[C@H]1COc2ccccc2O1	794905865	SEOLUKPDHPIBNF-ZETCQYMHSA-N	223.232	-0.001	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	855017053	FQEADPXNDLSDCM-BZNPZCIMSA-N	240.259	-0.752	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C2(O)CCC2)O1	862890775	MZTJCXIPFVLZCZ-HTQZYQBOSA-N	242.275	-0.384	50	10	BBGE	
CO[C@@H]1COCC[C@@H]1CC(=O)NN(C)C(N)=O	1446344626	YREBSLALJLGTCM-HTQZYQBOSA-N	245.279	-0.530	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CCN1CC[C@@H](F)C1	1452352927	WEXWRARWCSSMJY-NXEZZACHSA-N	247.314	-0.236	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2ccc(F)cn2)N1	1558221068	BGNQFMDYHKFCIX-ZCFIWIBFSA-N	224.195	-0.448	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(=O)c(OC)co1	1626583364	WLAILLAWYYEBPT-UHFFFAOYSA-N	241.203	-0.778	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CC[C@H]1O	1877509958	FHQBSXQIBKKVFU-PHDIDXHHSA-N	203.625	-0.053	50	10	BBGE	
N[C@@H]1C[C@@H]1CNC(=O)/C=C/C(=O)Cl	1877519785	IDRBSJNLZSSHLA-IYTQHBPKSA-N	202.641	-0.229	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1883633786	CGXYTUAZBVYIME-QYNIQEEDSA-N	207.657	-0.263	50	10	BBGE	
O=C(NCC#CCCl)[C@H]1COCCO1	1884810380	NWOORNFBGBUQCM-MRVPVSSYSA-N	217.652	-0.240	50	10	BBGE	
CS(=O)(=O)[C@H]1CCN(C[C@@H](O)CCl)C1	1885396092	DZEGQMSTINLUPO-YUMQZZPRSA-N	241.740	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCN1C	1886783612	MRPCIKKRZBMJHB-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
O=S1(=O)CCNN(C[C@H]2C[C@H]2Cl)CC1	1893119713	QETKHZTXMSIELG-HTQZYQBOSA-N	238.740	-0.151	50	10	BBGE	
C=C(CN(C)Cc1csnn1)B(O)O	1895212132	NVFUNOAJHDPBKM-UHFFFAOYSA-N	213.071	-0.462	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2NC(=O)O[C@@H]2C1	1895487900	ZLGCPWZHPJPBRL-CRCLSJGQSA-N	247.638	-0.746	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]2C[C@@H]2CO1	1897136975	HEFPWPDFIKRXCM-YIZRAAEISA-N	225.053	-0.904	50	10	BBGE	
CCC1CN(C(=O)c2cnsc2B(O)O)C1	1900468683	ZIZLFNKPEMOHQL-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CCOc1ccc(COCC(=O)NN)cn1	1900665361	SKAAHAYDGQVHKQ-UHFFFAOYSA-N	225.248	-0.013	50	10	BBGE	
OB(O)c1cccc(F)c1OC[C@@H]1CCO1	1901307747	VXMQAXYJJNGZFJ-ZETCQYMHSA-N	226.012	-0.327	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]2CC[C@H]1N2)S(C)(=O)=O	1901339710	RZNWCBMGIXOMPK-BWZBUEFSSA-N	247.320	-0.951	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CCNC2=O)C1	1902515794	LYLGDAGMJAABMQ-PSASIEDQSA-N	226.085	-0.939	50	10	BBGE	
CN1CC[C@@H]2CCN(CCCC(=O)NN)C[C@@H]21	1905722884	NCHSAWJJPPRDMI-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@@H](CC1=O)C2(F)F)C(=O)NN	1912338800	IOCFBBRGCPFTQJ-FSDSQADBSA-N	247.245	-0.274	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1914256002	NWYMSYDNOAUFNW-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@]12CCOC2	1915573045	NINKSXIVVASNGJ-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
OB(O)c1cc(CN2CC(F)C2)ccc1F	1917260707	BKUTWBYIAVULKJ-UHFFFAOYSA-N	227.019	-0.341	50	10	BBGE	
CCN1CC[C@@H](NNC(=O)C(F)(F)F)C1=O	1923412010	XLAAAYPOOVPMRJ-RXMQYKEDSA-N	239.197	-0.210	50	10	BBGE	
NCCNCCSCC1(C(=O)NN)CC1	1923485221	KKQVHAFYGPWBAB-UHFFFAOYSA-N	232.353	-0.962	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)C1=O	1927812794	PJDUXPOITLPUHX-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)C1CC1	1927914078	QKAZALKRSPKXCE-IONNQARKSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1CCOCCN1[C@@H](C)CC(=O)NN	1929658941	GQBVRBRGKQLFPW-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)[C@H](C)CCO1	1929659085	IQONECWIAQASKF-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
Cc1cnc(Cl)c(C(=O)NCB(O)O)c1	1935371661	KEGZVEXMXPKHOU-UHFFFAOYSA-N	228.444	-0.215	50	10	BBGE	
Cc1c(C(=O)N[C@@H]2COC[C@H]2Cl)nnn1C	1936102600	GXCPSQNNRURDQU-RNFRBKRXSA-N	244.682	-0.140	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC[C@H]1CO)CC2	1939208088	RSKSVILPIFLWKQ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
COCCOCCCOC[C@H]1C[C@H]1C(=O)NN	1941086057	PTOODJHIVOWGEB-NXEZZACHSA-N	246.307	-0.318	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCOC1(C)C	1948229689	NFTATJVVJUQVIP-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
CO[C@@H]1CC(=NNC(N)=O)C[C@H]1OC	1954925606	BLFROILZBCQCSZ-RNFRBKRXSA-N	201.226	-0.166	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550523	XCWDVOHOUIVHMQ-CBQIKETKSA-N	219.668	-0.434	50	10	BBGE	
O=C(CCl)NC(=O)NC1[C@@H]2COC[C@@H]12	1957279168	BNWGBFKZXQMOSO-RFZPGFLSSA-N	218.640	-0.304	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2F	1957875568	QGODRENBHYIMIT-UCROKIRRSA-N	215.228	-0.771	50	10	BBGE	
NNC(=O)CCN1C(=O)C[C@H]2CC[C@@H]1C2	1961036359	SHEPZDKCLGGHMK-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@@](=O)C[C@H]1C	1961553733	PLLMYGBTWNUNKH-KDZIRCDLSA-N	233.337	-0.792	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1Cc2conc2C1	1976755375	JBUWSGYAYGYSJF-SVRRBLITSA-N	222.248	-0.384	50	10	BBGE	
CC[C@H](C)NC(=O)N[C@H](CB(O)O)C(=O)O	1976979699	OSFRWNPOJXATAU-NTSWFWBYSA-N	232.045	-0.990	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@@H](C)C(=O)NN)C2	1978982166	INJXVSVBDLCGGH-FXPVBKGRSA-N	227.308	-0.419	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CC(N2CCOCC2)C1	1980620167	YMGYMIXPEODYKY-VIFPVBQESA-N	248.710	-0.305	50	10	BBGE	
Cn1nccc1[C@H]1CCN(CC(=O)NN)C1	1981087973	GDPAALCJTQLKRO-QMMMGPOBSA-N	223.280	-0.801	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]1C1CC1	1981410241	XJSPSVLBTGVBOE-JTQLQIEISA-N	218.065	-0.250	50	10	BBGE	
CS[C@H]1CCN(c2ccncc2B(O)O)C1	1981425592	IDLRZBZMGDGNCO-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)c1ccnn1C	1981561067	XSYDRCDGSYAFOT-YUMQZZPRSA-N	223.280	-0.518	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1981995022	CIABJXORDJUJJH-ZDZIUTJZSA-N	221.304	-0.047	50	10	BBGE	
CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)C(=O)NN	1989052283	OWIUVOQESIUTCM-PQFOHKHZSA-N	223.276	-0.663	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)[C@@H]1CCCO1	1991329700	JLHZDLFKXZWXTJ-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(F)cn1	1991339709	WZAYAQSBIXZOSC-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
NC(=O)N1CC[C@H](NC(=O)C=CC(=O)Cl)C1	1991648046	KJTUQMZCTBXTNV-LURJTMIESA-N	245.666	-0.423	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@@H]2CNC[C@H]21	1991703778	KOSLBFXGZPVCQI-XLNBVVSQSA-N	244.678	-0.493	50	10	BBGE	
CC1(C)CC(=O)N1Cc1nc(C(=O)NN)co1	1996582848	NLUSULJJYCFRIF-UHFFFAOYSA-N	238.247	-0.211	50	10	BBGE	
O=C1CN(C[C@@]23COC[C@H]2C3(F)F)CC(=O)O1	1998710547	BVUQWQYPIVRPCG-HZGVNTEJSA-N	247.197	-0.347	50	10	BBGE	
CC(C)[C@@H]1CCN(c2ncncc2B(O)O)C1	2004919881	DXONEPWPXOKZQK-SECBINFHSA-N	235.096	-0.361	50	10	BBGE	
Cc1ncnc(N2CC(C(C)C)C2)c1B(O)O	2004974582	MMIUILXKAZTQQB-UHFFFAOYSA-N	235.096	-0.443	50	10	BBGE	
CC[C@@H](C)N(C)c1ncc(B(O)O)c(OC)n1	2005015143	WPHSRXMSSUBKAZ-SSDOTTSWSA-N	239.084	-0.600	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H](F)C2)n1	2005018355	SEGAYCRHRINNIM-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H](F)C[C@@H](F)C1	2011414904	PRMDDGRMQJWMED-KNVOCYPGSA-N	243.022	-0.957	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@]12CCC[C@H]1C2	2016419892	UHYKYGWTDJXXJO-CABZTGNLSA-N	233.076	-0.282	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](F)C2	2017215953	WMZLGXNLUNMCNT-UTINFBMNSA-N	245.298	-0.044	50	10	BBGE	
Cc1nc(CN(C)c2ccncc2B(O)O)co1	2052492676	RETJIYIYACPZSF-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855384	QLRFUWVZFWSLNS-JGMGGLLFSA-N	244.103	-0.148	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2c[nH]nc2c1	2076081904	OBGWMBQEVXNQIK-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnn2c1CCCC2	2076082827	XWSWZHNYFWMYCC-UHFFFAOYSA-N	249.079	-0.483	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cccc(B(O)O)c1	2079010916	WEPZVCBPXIQQKU-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
CC#CCCCNC(=O)c1ccccc1B(O)O	2083494006	LYBHWHFAXDJEMF-UHFFFAOYSA-N	245.087	-0.100	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@H]2F)nc1	2212601112	ITJOMXCDKCLNEM-SFYZADRCSA-N	225.032	-0.541	50	10	BBGE	
Cc1cnc(N2CC(C)(C)C2)cc1B(O)O	2212604536	PZXYZDFLUZZRIK-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1N	2214597751	ZHCOWFJSIVCKMA-CABZTGNLSA-N	234.108	-0.855	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2215773893	UUYDZHIXMOIPBG-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@@]1(F)CCOC1	2216338276	OOTCQTPYLUZVCG-QXEWZRGKSA-N	245.298	-0.327	50	10	BBGE	
CO[C@@H]1CC(=O)N(CC2(C(=O)NN)CCC2)C1	2216530296	NQGWPEBVGFIVNB-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2C[C@H]3C[C@@H]3C2)n1	2216577760	SJFLZMXHTUSDQT-HTQZYQBOSA-N	234.064	-0.358	50	10	BBGE	
CNC[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)C1	2217172105	ICKXTHZGRSIZCU-WAAGHKOSSA-N	236.080	-0.862	50	10	BBGE	
CC[C@](C)(N)COc1cc(B(O)O)c(C)cn1	2217185235	UPPQKCRXJUJOOZ-NSHDSACASA-N	238.096	-0.424	50	10	BBGE	
CN[C@H]1C[C@H](Oc2nccc(B(O)O)c2F)C1	2217187796	FDIFPNFHLFFQAG-LJGSYFOKSA-N	240.043	-0.970	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@H]1CCN1	2217188331	MNJUPEKWINHXQI-POYBYMJQSA-N	240.043	-0.970	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)CCCNC1	2217188858	UXJDIAJJWPMNKW-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
CCOCCCCN=c1cc(B(O)O)cc[nH]1	2217205048	SGIWPQHDGULCGF-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
Cc1cnc(NC2CC3(C2)C[C@H]3N)cc1B(O)O	2223643241	SZJBUAITYKXRAW-KRBLXSNTSA-N	247.107	-0.638	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(c2cc(B(O)O)ccn2)C1	2223649485	ZJQOYHAQXUEEAR-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CNC[C@H]2C3)nc1	2223670227	UQTWMTZJAQXFOL-NGZCFLSTSA-N	247.107	-0.829	50	10	BBGE	
NC1CCC(CNc2cc(B(O)O)ccn2)CC1	2223670491	YRQLETSAEWSMDK-UHFFFAOYSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN(C3CC3)C2)nc1	2223671955	CGKZVQCHHOYZDB-SNVBAGLBSA-N	247.107	-0.590	50	10	BBGE	
O=C(NO)c1ccc(B(O)O)cc1Cl	2241585100	YHBXQDUGJDZMEQ-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
CC(C)CCNC(=O)c1coc(B(O)O)c1	2243347627	OTAYDRJOPAAEDU-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CS[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243362686	VATOJVUTPDZSGM-LURJTMIESA-N	242.109	-0.824	50	10	BBGE	
C=C(C)CCNC(=O)c1occc1B(O)O	2243363285	DIJODLMPWRVAPI-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCNC(=O)c1ccc(B(O)O)cc1OC	2243366807	IZTXAJWLFHDIBF-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1sncc1B(O)O	2243385480	JNLCICCSFCZAAR-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)ccc1OC	2243439744	IIYNPDKQDZZYLZ-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
O=C(O)[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2243753253	RLNPTHINVZKLNP-LURJTMIESA-N	227.025	-0.931	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)co1	2244206370	VWDTYCYGUKFKKZ-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CC1(OCc2nsc(C(=O)NN)n2)COC1	2245008424	QEVQUPHCDGSKTH-UHFFFAOYSA-N	244.276	-0.553	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2247721769	HQBFJHMYKZQPDW-MTBHXBHISA-N	235.048	-0.594	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC2(C1)CC2(F)F	2247746894	FYCWWWQWYMUEIO-UHFFFAOYSA-N	243.018	-0.352	50	10	BBGE	
NC[C@@H]1CCCCN(C(=O)C2(B(O)O)CC2)C1	2247753197	CRNQZOFJGWXCHQ-VIFPVBQESA-N	240.112	-0.419	50	10	BBGE	
CC[C@@H]1NCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247758439	VHKNJKIQTUEAAJ-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2C[C@H]2F)c1B(O)O	2247761371	UMNBMPWGTHLZPN-RKDXNWHRSA-N	237.039	-0.485	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C(C)(C)C	2247769364	HQRGIFCPKXKHMW-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1c[nH]nc1B(O)O	2247781092	IDWAIYWSEBNAFB-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
O=C(NCCn1cccc1)[C@H]1C[C@@H](B(O)O)C1	2247785387	KAIKSDNXLFACMX-AOOOYVTPSA-N	236.080	-0.143	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CN(C)C1	2247787344	NVKRQNDKPAYMIG-DTORHVGOSA-N	240.112	-0.598	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247788002	XSXMUOZVTDCDOW-DKIAZLNASA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@]12CCCNC[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2247801103	WZKNSJXQZBXHRU-KBIXCLLPSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCNCC12CCC2	2247808557	LQEPNCNISRCYPO-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CN(C[C@H]1CC2(CC2)CO1)C(=O)C#CB(O)O	2247849864	GICRXHMDZBSWCY-SECBINFHSA-N	237.064	-0.971	50	10	BBGE	
CCN(CCC#N)C(=O)c1occc1B(O)O	2247853558	NXFSMQYPPMGOIQ-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
CC1(C)COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247860325	VMUIQEOKAGEDMD-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1ccoc1B(O)O	2247866560	OHOYDHMKSWULSK-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3(B(O)O)CC3)C[C@H]12	2247871510	CJDJASXBUKIILB-UYXSQOIJSA-N	238.096	-0.765	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247871678	FZJBHASWWABSMC-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
O=C(N1CC[C@@]2(CCCO2)C1)C1(B(O)O)CC1	2247878300	NCFXGJJJDFOYLP-JTQLQIEISA-N	239.080	-0.225	50	10	BBGE	
C[C@@H](CN1CCCC1)NC(=O)[C@@H]1C[C@H]1B(O)O	2247888215	XCZZQDCXPZJGPS-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	2247890607	PZSUZVJTNNUYMS-YUMQZZPRSA-N	234.064	-0.792	50	10	BBGE	
CN1CC[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894012	BHTALAOXXSFYOO-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@]12CCOC2	2247894330	FSBITOYIUZJFFB-WCABBAIRSA-N	239.080	-0.369	50	10	BBGE	
CN(Cc1nccn1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247897766	WRMIBSIUBKMZFJ-YUMQZZPRSA-N	237.068	-0.759	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C=CCC1	2248396788	DTWWDRRXGXFCBT-MRVPVSSYSA-N	232.048	-0.334	50	10	BBGE	
O=C(O)[C@@H](NC(=O)C1(B(O)O)CC1)C1CCC1	2248584794	BLWQZNNMCILBLR-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1(C)CC1	2249424877	YOJXIGOZJGFHFZ-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(C[C@H]1C[C@H]2C[C@H]2C1)NCCC#CB(O)O	2249998328	HLZZUCNQEGNXEB-RTCCRHLQSA-N	235.092	-0.056	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC3C[C@@H]4C2[C@@H]4C3)nc1	2253519673	KJNATUQRZHWIRZ-PUMMZQCMSA-N	245.091	-0.387	50	10	BBGE	
Cc1ccnc(NC(=O)c2ccoc2B(O)O)n1	2255460480	ULQCWTAKFOLHTQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2255473985	PDUMRLUPRNBLHW-JTQLQIEISA-N	249.075	-0.004	50	10	BBGE	
Cc1cccnc1NC(=O)c1ccc(B(O)O)o1	2255673197	OPGYXHVUCLPWNG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC1(C)CCCN1C(=O)c1cncc(B(O)O)c1	2255710684	OBJPWBFQRUEHJM-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
CCC1CN(C(=O)c2ccc(B(O)O)cc2O)C1	2255957511	QHNUGCIPSGAEAA-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2cocc2B(O)O)C1	2258146867	GFTUFUDMCSRJOT-LLVKDONJSA-N	248.047	-0.665	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ccncc1B(O)O	2260240606	NBNJGTKCXHJAAT-VIFPVBQESA-N	248.091	-0.297	50	10	BBGE	
CO[C@@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298370226	SCXWCQYPFXKNQY-YWVKMMECSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(F)F	2298377056	CCVAYMKJKCJORR-QYNIQEEDSA-N	248.038	-0.956	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1C[C@@H]1CO	2301340165	AUTMWMYFUHGNKB-LDYMZIIASA-N	232.048	-0.969	50	10	BBGE	
CC[C@H](N)COc1ccc(C=O)c(B(O)O)c1	2301422042	CPKJTAQSWKIMGK-VIFPVBQESA-N	237.064	-0.705	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2302496416	KUYPOEFABJCCOS-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cncnc2)C1	2303112344	RFPOQSIHJSFGKS-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
CC[C@@H]1C[C@@H]1CC(=O)N[C@@H](CB(O)O)C(=O)O	2303582013	DADCKMYPYJCCGF-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCC[C@@H]3CCO[C@H]32)c1	2307263435	YFQWTPDLMPBZBK-FBIMIBRVSA-N	236.080	-0.307	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2310063454	UQEMXDHHZLDTRM-MXWKQRLJSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CNCC23CC3)c1	2314817596	SZOGITKTNXNRIQ-SECBINFHSA-N	247.107	-0.827	50	10	BBGE	
N=C(N)NCCCCSS(=O)(=O)O	31771341	LJXVGZZEFUHOPD-UHFFFAOYSA-N	227.311	-0.214	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCCC(N)=O	37660802	AENGZWSFUBISBI-RXMQYKEDSA-N	235.671	-0.295	50	10	BBGE	
CNCCN(C)Cc1csc(C(=O)NN)n1	69801834	YLNZXAASQBORCK-UHFFFAOYSA-N	243.336	-0.602	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC(C)(C)O	86275158	SQKQZXKEDFQQEW-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@@H](C)[C@@H](C)C(=O)NN	93072275	SRPRGPSUFQASSP-HRDYMLBCSA-N	242.323	-0.789	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)/C=C\C(=O)O	110455464	MGVFHUNHZULXCF-IHWYPQMZSA-N	238.199	-0.010	50	10	BBGE	
CCN(CC(=O)NNC(=O)CSC)C1CC1	121103027	LMPUTNZIYZMKRY-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
CNCCCN(C)Cc1cc(C(=O)NN)no1	125015104	HYYAOSFHEMKJSD-UHFFFAOYSA-N	241.295	-0.681	50	10	BBGE	
CCOC(=O)/C(N)=C(\C#N)C(=O)OCC	166045948	YJDSWAHRCMQJPH-SREVYHEPSA-N	212.205	-0.151	50	10	BBGE	
C[C@](CO)(CNC(=O)CCl)CC(=O)O	170313818	QJIISACTMQNFNC-MRVPVSSYSA-N	223.656	-0.185	50	10	BBGE	
NNC(=O)[C@@H]1CCCS(=O)(=O)CC1	214735323	NXTUANRXDGLIQL-ZCFIWIBFSA-N	206.267	-0.809	50	10	BBGE	
CC(=O)NNc1snnc1C(N)=O	220480283	NFWLIGBZVCKEQG-UHFFFAOYSA-N	201.211	-0.900	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CCCN1C	252583381	XRSQSLGGBFITDL-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCN(C)C[C@H]1C	300535573	ARNPBAYDQLJFEI-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
OC[C@H](Br)[C@@H]1O[C@H]1[C@@H]1CO1	306320107	IUTRBRPRCFYGAG-BXKVDMCESA-N	209.039	-0.092	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)c(F)c1F	307607904	CHMRRTZCYQQOTG-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
NC(=S)NNC(=O)NOC/C=C/Cl	308181558	GQQKCTIYUHELAO-OWOJBTEDSA-N	224.673	-0.282	50	10	BBGE	
COC1CN(CCCCCC(=O)NN)C1	308797260	JQUAYBIIDRNWRG-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[S@@](=O)C1(CN2CC(=O)OC(=O)C2)CC1	380141169	MLKIJHKCZFCLEE-OAHLLOKOSA-N	231.273	-0.717	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	381894639	UANPSOIMQBGBAY-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382927460	FKQBYFVPNZECNG-HTQZYQBOSA-N	217.313	-0.154	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@@H](COC)C(=O)NN	385903936	PLUITDMHCLUNQS-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCSC[C@H]1CO	388187052	OLEBNEQJLDYBDS-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
Cc1ccc(C(=O)Nc2ccnc(B(O)O)c2)o1	405046021	DHHYVJRMFMARJJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(NC(=O)NC2CC2)c(B(O)O)c1	405144743	LKUCXAOHUILNAE-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)CCCCC(=O)NN	690205414	VYYIGKQICAEOJD-SNVBAGLBSA-N	246.355	-0.999	50	10	BBGE	
Cn1nnnc1CN[C@H]1COC[C@H]1Cl	697786425	VOVWTURRLCBYNH-RITPCOANSA-N	217.660	-0.694	50	10	BBGE	
Cc1nn(C)c(C)c1/C=C/C(=O)NCB(O)O	706528995	GGJHNQFCFDAGAR-SNAWJCMRSA-N	237.068	-0.822	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2CCOC[C@H]2Cl)n1	706704026	CCCSHKXTQUXNNO-PHDIDXHHSA-N	245.670	-0.664	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CC[C@H]1C	713753734	DZPGWAYYNSKNGH-KYXWUPHJSA-N	229.324	-0.154	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@@H]3C2)cc1	718184675	PFWAUNKZIPTYHU-RYUDHWBXSA-N	247.103	-0.555	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]2C1	718258564	IKHQQBTYNCJQMP-BBBLOLIVSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C(=O)NN)CCS1	725667334	MBMZGPWJQWBLCC-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@]1(C)CO	725674135	SOCQVRYQWKXVFM-BKPPORCPSA-N	221.684	-0.042	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1	820936743	OVWNNUAJZCUDCE-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
C[C@H](CO)[C@@H]1CCCCN1CCC(=O)NN	829255034	WNAKYNXZNVYTBN-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC(C)(C(N)=O)C(=O)NN=c1cc[nH]cc1F	857321454	UNZLEVKLOXUTNO-UHFFFAOYSA-N	240.238	-0.403	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CC[C@@H]1C(N)=O	862500507	QBRQUKXQOBFTEY-IUCAKERBSA-N	248.286	-0.233	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CC[C@H]1C(N)=O	862500508	QBRQUKXQOBFTEY-RKDXNWHRSA-N	248.286	-0.233	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H](O)/C=C\C	899939544	SRVSJHADDSUGDO-GLCRXLCDSA-N	229.305	-0.395	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2)NC1CC1	930720099	MCWXBCMEWOAAPU-IWSPIJDZSA-N	237.259	-0.177	50	10	BBGE	
COCCN(C)NC(=O)C1(O)CCSCC1	1157605991	GSJSUJUPZUKLKV-UHFFFAOYSA-N	248.348	-0.146	50	10	BBGE	
O=C(CO)NNC(=O)CSC(F)F	1457724800	VXUUDWGPWBDXMP-UHFFFAOYSA-N	214.193	-0.918	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NNC(=O)NC	1542262419	KBBDJOBASZEQJV-WAYWQWQTSA-N	212.209	-0.609	50	10	BBGE	
NNC(=O)CCSC[C@@H]1CCNC1	1883299831	VKUNUTSSUXNMAD-SSDOTTSWSA-N	203.311	-0.291	50	10	BBGE	
C=C(CN=S1(=O)CCCC1)B(O)O	1883741631	FHBQFQXPBBAEIC-UHFFFAOYSA-N	203.072	-0.184	50	10	BBGE	
CN(C[C@@H](O)CCl)C[C@]1(O)CCOC1	1886702560	GFGCTPNGWGAJMW-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
N#C[C@H](Cl)CN1CC(CNC(N)=O)C1	1887053029	GHYLHQFRAOBUEQ-ZETCQYMHSA-N	216.672	-0.283	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(F)(C#N)C1	1888393236	IADIWIRZFFSETK-LURJTMIESA-N	200.217	-0.698	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1[C@H](C)C(=O)NN	1890503079	HGNQWGIQYJOXDG-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
CN(C[C@@H]1C[C@H]1Cl)[C@H]1CC(=O)NC1=O	1893119544	OZUZVDDPOUYBGE-XVMARJQXSA-N	216.668	-0.039	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1Cl	1893469573	KOWKIZAAZNMDLV-RQJHMYQMSA-N	214.652	-0.521	50	10	BBGE	
C[C@H](O[C@H]1CCOC[C@@H]1F)C(=O)NN	1893527531	HZVWLDBQVVQJOC-ACZMJKKPSA-N	206.217	-0.492	50	10	BBGE	
CC1(C)OC[C@H](NS(=O)(=O)CCl)[C@@H]1O	1897073679	UMBSYSICRDOLCK-WDSKDSINSA-N	243.712	-0.360	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cnsc1B(O)O	1900455817	XCZZYSBWSJDMGU-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1CC[C@@H]1N	1901377761	SHXNJXYFMMODKC-YUMQZZPRSA-N	249.336	-0.575	50	10	BBGE	
COC(C)(C)COCc1nc(B(O)O)cs1	1902654701	WIPNIJHBXAMAHF-UHFFFAOYSA-N	245.109	-0.236	50	10	BBGE	
COC1(C(F)F)CC(C(=O)NNCCO)C1	1902689271	MPNHARIHTGLEAR-UHFFFAOYSA-N	238.234	-0.340	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(F)(F)C[C@@H]1CO	1905764549	UCIHYZBMCDOANS-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	1907071954	CBKPOVHJQWLEDR-QQRDMOCMSA-N	231.064	-0.999	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1[C@H]2COCC[C@H]21	1908289792	XBUONKMZYCRRMQ-JDDHQFAOSA-N	237.255	-0.062	50	10	BBGE	
Cn1nccc1C=CC(=O)NNC(N)=O	1911736678	WJTYTTIJTOZTDE-UHFFFAOYSA-N	209.209	-0.867	50	10	BBGE	
C[C@@H](CN1CCC[C@H](C)C1=O)C(=O)NN	1912220391	DXLDKGPMQJNOBF-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CN(C)S(=O)(=O)C1CC1)C(=O)NN	1913793183	BDKOSYCRXXEUDB-ZCFIWIBFSA-N	235.309	-0.964	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]12CCOC2	1915573742	SYSNTAUCPVDTIV-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
CN(C(=O)NC(=O)CCCl)[C@@H]1CCNC1=O	1916839185	OTYXKBKLTUOUTA-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(OCC(N)=O)C1	1928132602	JYYWBPFBSRHKJC-LURJTMIESA-N	234.683	-0.426	50	10	BBGE	
C[C@]1(OCC(F)(F)C(=O)NN)CCOC1	1928535897	BYRNHINBDPIBTD-ZETCQYMHSA-N	224.207	-0.193	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Cn1ccc(B(O)O)n1	1930304052	YMTGBKWINBJBGW-RKDXNWHRSA-N	208.070	-0.001	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCS1(=O)=O	1936092867	YDNVKNLBVUIOPW-JGVFFNPUSA-N	247.320	-0.962	50	10	BBGE	
CC(C)C1(O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094813	QENHFMJXCDLSGK-RKDXNWHRSA-N	227.308	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1[C@H]2CCC[C@H]21	1938329107	DVLZTPWKLXOLSQ-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
OB(O)c1ccc(CN2CC3CC2C3)cc1	1938563447	IRUATAAJWBWAJT-UHFFFAOYSA-N	217.077	-0.039	50	10	BBGE	
CSC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	1939043281	ZIRWLUDFRFQZHU-VXNVDRBHSA-N	245.348	-0.429	50	10	BBGE	
COC[C@]1(C)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941090450	ZVIRBQMFHZRCCG-JBLDHEPKSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](CCOC)C1	1943674286	SRRZWNGIOPLIFI-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(=O)NC(C)(C)C1	1945294827	ZJDOIPJPSNSMQR-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2OCCO[C@@H]2C1	1946397048	MPHCBJRMEBLORP-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
C[C@H]1CCCC[C@H]1NC(=O)NCB(O)O	1951321825	IMIFXKPUIGIVIR-JGVFFNPUSA-N	214.074	-0.124	50	10	BBGE	
C[C@H](Cl)C(=O)[C@H](N)CCS(C)(=O)=O	1954339866	FDNIVIWBUNTQES-NTSWFWBYSA-N	227.713	-0.055	50	10	BBGE	
CC[C@@H](COC)N(C)[C@H](C)C(=O)NN	1954920418	NDHBAZZXKDXYSP-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)CCC1=O	1956255607	BBVIVQBWHGWUEC-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
Cn1ncc2c1CN(CCC(=O)NN)C2	1961009752	RHXVPVFPTBMTJT-UHFFFAOYSA-N	209.253	-0.884	50	10	BBGE	
CCN(c1ncccc1B(O)O)C1CC1	1961694095	JOSOVBIWUYIDMD-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
Cc1cnc(N2CC[C@H]2C)c(B(O)O)c1	1961718116	KHPDGNLHTSVLIA-MRVPVSSYSA-N	206.054	-0.332	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)C[C@@H](C)Cl	1962389316	DAEWFBHJQJPYNM-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCn2ccnc2C1	1978922177	IMMCNQLKHQTZGB-ZCFIWIBFSA-N	239.304	-0.690	50	10	BBGE	
CS[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	1981409127	JILAEROOQYDXFT-SECBINFHSA-N	238.121	-0.297	50	10	BBGE	
C[C@H]1CSCCN1c1ccc(B(O)O)cn1	1981413539	HYVOEOGCDKSJDK-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
Cc1ccnc(N2CC3(CC3)C2)c1B(O)O	1981415317	CQBGZGLYBSHSGM-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)[C@H]2[C@H]3COC[C@H]32)C1	1982232029	JUPIGDBBISLXGU-SVSWQMSJSA-N	244.722	-0.084	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cnccc1=O	1984129119	ZFHCLWXVPPYYOS-UHFFFAOYSA-N	232.190	-0.741	50	10	BBGE	
C[C@@H](F)[C@H]1CCCN1CCOCC(=O)NN	1985220888	MNZSAXUVQWPUDA-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990040157	ZTHUGICCZFMSJJ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CN1CC[C@@H](CNC(=O)NC(=O)CCl)C1=O	1990445552	UKTFTWMOKZPHNJ-LURJTMIESA-N	247.682	-0.471	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)cn1	1991329170	HRPKWHBADHPSCV-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
C[C@@H](CN1C(=O)CC12CCOCC2)C(=O)NN	1996587665	ZAXPEELHECTRPS-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CCN(C)[C@H]2C1	1996607155	AOVUNHMECSPESG-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CCN1CC(=O)N[C@H]2CCCC[C@@H]21	2004291354	RPKYZTSGFNITES-IUCAKERBSA-N	240.307	-0.891	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)c1ccncc1B(O)O	2004930749	WHDPDUQWCSQSGX-GZMMTYOYSA-N	236.080	-0.768	50	10	BBGE	
CON(c1ncc(B(O)O)cc1F)C1CCC1	2005014286	JHARBBYPECLRIG-UHFFFAOYSA-N	240.043	-0.179	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2CC[C@@H]2C)n1	2005017872	LIAYDLFBSUFHNG-XVKPBYJWSA-N	235.096	-0.300	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H](CCO)C1	2005060319	IRSNMJYJZSEOOV-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccccc1C(=O)NN	2011373878	RBMRKTXELIDAAX-GZMMTYOYSA-N	235.287	-0.145	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)C[C@@H]1C	2014924929	SBMFPYIBVNQBTL-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1cc(F)cn1	2021030612	ULIHYDKZVYQWEA-UHFFFAOYSA-N	238.226	-0.593	50	10	BBGE	
C=C(CN1CC(n2nc(C)cc2C)C1)B(O)O	2021157434	MGGBRTUVDLCGRW-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H](C1)O2	2021435492	JVBUORNLXMJUEX-AOOOYVTPSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H]1O[C@@]2(Cn3ccc(B(O)O)n3)CC[C@H]1C2	2021504469	IJEHZKVGXCPIDC-QXEWZRGKSA-N	236.080	-0.480	50	10	BBGE	
OB(O)c1ccccc1CN(C1CC1)C1COC1	2043200054	CECGCGQMOURAGS-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
CCOC1(C(=O)Nc2ccc(B(O)O)cc2)CC1	2047758672	LHLGFLSDZJXPBA-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
COc1nc(N2CC[C@@H]2C2CC2)ncc1B(O)O	2052621643	JRWWSDUNPITXRK-SECBINFHSA-N	249.079	-0.846	50	10	BBGE	
CN1CC(N(C)Cc2ccc(C(=O)NN)nc2)C1	2056632790	ZCHBHAFKQJCLHY-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
Cc1cc(Cn2cccc(B(O)O)c2=O)ccn1	2058154550	FZBRKUGTVMEYPD-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
N#Cc1cc(B(O)O)c(C=O)c(C(F)F)c1	2060234899	BUSXNCZXVCFMRF-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CC#CC(C)(C)Nc1ccc(B(O)O)cn1	2212604195	NCCRZPKIKHBFLX-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1cc(B(O)O)ccn1	2212610093	CDFXMCGWKPKJDO-SFYZADRCSA-N	224.069	-0.810	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1F	2212613342	URWNIFCLAPGGEP-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
OB(O)c1ccnc(N2CCC=CCC2)c1	2212614839	HRANOQVEVTYXDL-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@@H]3CC[C@@H]23)c1	2212614919	IFTISYFVEHXNOO-RKDXNWHRSA-N	218.065	-0.171	50	10	BBGE	
C[C@@H](Oc1ccc(CC(N)=O)cc1)C(=O)NN	2213216488	OCLLVDDFYHXBCG-SSDOTTSWSA-N	237.259	-0.528	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)CCC12CC2	2214780012	IBRFPQZNQGFUMV-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1CC(CO)C1	2215775171	GGCUCDBDIWZVJZ-DJRKXVOMSA-N	241.335	-0.295	50	10	BBGE	
COCCOCCOCC1(C(=O)NN)CCC1	2216534959	UHUUQALVPREKBG-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
CC[C@@](C)(CN)N(C)c1ncccc1B(O)O	2217179522	LTCUUWRZQDXLQH-NSHDSACASA-N	237.112	-0.675	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217180946	MGPLSJHSAFEPCL-ONGXEEELSA-N	234.108	-0.113	50	10	BBGE	
C[C@H](O)CCN(C)c1nccc(B(O)O)c1F	2217181178	NSPSIKPGRUACRQ-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1nccc(B(O)O)c1F	2217182260	BEGOHHKAXKCHAW-XPUUQOCRSA-N	242.034	-0.305	50	10	BBGE	
Cc1cnc(NC2(CO)CCC2)cc1B(O)O	2217183307	KKGSWLIARUIFIF-UHFFFAOYSA-N	236.080	-0.603	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3CCCO[C@@H]32)nc1	2217185310	VIMUCCJYJRNXLC-GDPRMGEGSA-N	234.064	-0.649	50	10	BBGE	
NCC[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)C1	2217186072	FTSOROROBDUEKL-WAAGHKOSSA-N	236.080	-0.732	50	10	BBGE	
CC[C@H](C)[C@H](CN)Oc1cc(B(O)O)ccn1	2217189912	KDGRTXVIHBURHV-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
CC[C@@]1(Nc2cc(B(O)O)ccn2)CCNC1	2217199407	MBSGCYJESRSPMJ-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
NC[C@@H]1CCCCN1Cc1cccc(B(O)O)c1	2220061053	ADXSHHRYISVSPQ-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNc1ncccc1B(O)O	2223669847	PFHDIWRNMIKIMH-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
Cc1csc(CN(C)C#N)c1B(O)O	2241559868	PPVDTXGQYLRUFY-UHFFFAOYSA-N	210.067	-0.351	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1Cl)CC1(O)CNC1	2241931459	NJJOYHVTGYPQTH-YUMQZZPRSA-N	204.701	-0.120	50	10	BBGE	
CCOCCN(C)C(=O)C1(B(O)O)CCC1	2243347059	GXSBACFNUAQVTQ-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccsc1B(O)O	2243359314	QRKGEIIRUDLRIM-XPUUQOCRSA-N	239.105	-0.092	50	10	BBGE	
O=C(NC[C@@H]1CCNC1)C1(B(O)O)CCC1	2243363269	DDMBFKQPXKQIIH-MRVPVSSYSA-N	226.085	-0.891	50	10	BBGE	
NCc1csc(NC(=O)C2(B(O)O)CC2)n1	2243363528	IGELGGIGCVVOFL-UHFFFAOYSA-N	241.081	-0.453	50	10	BBGE	
CC(C)(CO)CCNC(=O)C1(B(O)O)CC1	2243365631	PFFOLPXPMAVUDO-UHFFFAOYSA-N	229.085	-0.482	50	10	BBGE	
CS[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2243365768	RUYUIKIUDPLQQQ-RQJHMYQMSA-N	245.109	-0.760	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CN1	2243365982	VQSTZJZFXXKUHV-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243380939	ASRKOAHLLIEKNE-UYXSQOIJSA-N	229.085	-0.628	50	10	BBGE	
NCC1(CNC(=O)C2CC(B(O)O)C2)CC1	2243390817	BTLMXCWRLPMODQ-UHFFFAOYSA-N	226.085	-0.906	50	10	BBGE	
CN(CC1(C)COC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392670	VZQKXIOPVHSTOM-YUMQZZPRSA-N	227.069	-0.656	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2243395805	BZFVGFQAIMPMLH-UEJVZZJDSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396466	MNIXHFNOYMKKAL-JBDRJPRFSA-N	227.069	-0.779	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@]1(C)CC1(F)F	2243398484	FJOZGMAAKPQGFL-HTRCEHHLSA-N	231.007	-0.448	50	10	BBGE	
Cc1cccc(N(C)C(=O)C#CB(O)O)c1	2243400999	KWKMIPJNJSMCDK-UHFFFAOYSA-N	217.033	-0.027	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243405063	YXHAOUZTYSMLMQ-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C=C(Cl)CNC(=O)c1ccc(B(O)O)cn1	2243407153	MFGYZBUHJJEQOY-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1C(=O)C1(B(O)O)CC1	2243408254	JVYMCXLZHWDVMO-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
N#CCCCNC(=O)c1csc(B(O)O)c1	2243408906	XHIVBEUSXWBPHB-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1nscc1B(O)O	2243411696	YRDYIISKHDWWAY-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
C=CCNC(=O)c1nc(CC)sc1B(O)O	2243413677	LMBBZRKHUMZYGX-UHFFFAOYSA-N	240.093	-0.699	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC(C)C	2243961251	CIHRCOQJOJRZDH-UHFFFAOYSA-N	222.053	-0.792	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ncsc1B(O)O	2244146644	GHNXQUXTCFBGNV-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC=CCl	2246253612	KLGXRRYRCJDOBO-UHFFFAOYSA-N	242.471	-0.813	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1ccoc1B(O)O	2247738240	OSZQJZUKHMUGEO-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
CCC(F)(F)CNC(=O)c1ccoc1B(O)O	2247743040	YCSZXMBGEQCZBB-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)[C@H]1C[C@@H](B(O)O)C1	2247786765	GHKREPHUJXMHCS-KHQFGBGNSA-N	245.059	-0.516	50	10	BBGE	
Cc1cc(C(=O)N2CCC2(C)C)oc1B(O)O	2247788190	AQXMTGJMJYAVNT-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
O=C(N[C@@]12CCOC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247791649	OELWELBOXXPYDN-SDNRWEOFSA-N	239.080	-0.465	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247799219	AYUOOLSHHJPLGP-AUXWQGHOSA-N	240.112	-0.517	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2247808442	KXMPATGIAPXMSH-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C[C@@H](C)O	2247858047	AEXAIPKBFKDYCF-QCLAVDOMSA-N	243.112	-0.237	50	10	BBGE	
C[C@H]1C(CNC(=O)c2occc2B(O)O)[C@@H]1C	2247878842	OCHLFKNKBQYSRF-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887405	NRIIVWIYYQUVGW-UTINFBMNSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894843	LMLMYNIBAKVTSX-RXKWGBCNSA-N	239.080	-0.610	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[C@H]1B(O)O	2247899550	OAUZITNHRINLLJ-SOYHJAILSA-N	239.080	-0.610	50	10	BBGE	
CN(C[C@H]1CCN1C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911131	TVGHFFNQFFCUBC-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)C1(B(O)O)CCC1	2248445999	UUQTWFHSESBIER-VIFPVBQESA-N	242.128	-0.125	50	10	BBGE	
O=C(NC1(C(=O)O)CC=CC1)[C@@H]1C[C@@H]1B(O)O	2248587810	UWTCBVMSIGENOU-RQJHMYQMSA-N	239.036	-0.861	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1(C#N)CCC1	2255448012	AHTLINHXEXNBHV-UHFFFAOYSA-N	248.047	-0.556	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1coc(B(O)O)c1	2255455636	CJDQRHISPUIBPL-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1[C@H]2C=CC[C@H]1CC2	2255475560	ZJASCSPLGJTLDE-IUCAKERBSA-N	247.059	-0.108	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2255503893	KQUMPPMQRVHCAJ-VIFPVBQESA-N	248.091	-0.647	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1ncccc1B(O)O	2255524147	VZXDTNLSAXYUGS-VIFPVBQESA-N	246.075	-0.448	50	10	BBGE	
N[C@H]1CCN(C(=O)C#CB(O)O)c2ccccc21	2255673119	CPTUITODTPOCNL-JTQLQIEISA-N	244.059	-0.562	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	2255678152	AHBRPZZVAJQHSC-FBIMIBRVSA-N	249.075	-0.924	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255713406	AKQDQQJFADNTJX-ONGXEEELSA-N	248.091	-0.464	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC=CC[C@@H]21	2255733664	ORYYXFIDNNUGMR-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1C[C@H]2C[C@H]2C1	2255742427	BQQAGUMZBZMFOH-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCC1(C)CC1	2257490307	AIYSKFOFHSNOEI-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
CC[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368926	CCOXAUSHGNCLIH-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298375687	VTGCLVIKWJSRSM-GRDBIXFFSA-N	238.096	-0.955	50	10	BBGE	
CCOc1ccc(CNC(=O)C(=O)NN)cn1	2300616119	PYWXELGKVLTCML-UHFFFAOYSA-N	238.247	-0.914	50	10	BBGE	
C[C@@]1(O)CON(CCCCCCC(=O)NN)C1	2300625594	UGOSDBIFTWCPBD-NSHDSACASA-N	245.323	-0.075	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)CC1(O)CC1	2301866041	CTKRCXNMWRFEKA-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	2302843996	WHRWILXAUMRTPR-NSHDSACASA-N	231.060	-0.441	50	10	BBGE	
Cc1nc(CN2CC[C@@](C)(B(O)O)C2)n(C)n1	2303136087	ODCDDBAEKKSFFH-SNVBAGLBSA-N	238.100	-0.438	50	10	BBGE	
COCC1(Nc2cc(B(O)O)c(F)cn2)CC1	2303847360	IBBIOOSWJNCIBX-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303848352	YCBIWXZPNUBPNP-IMTBSYHQSA-N	242.059	-0.528	50	10	BBGE	
C[C@H](N)CCCOc1cc(B(O)O)c(F)cn1	2303848766	DANYBPIUAKKFFM-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
C=CC[C@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCN1	2314243598	OQBNTAIVAGKUAT-QWRGUYRKSA-N	248.091	-0.553	50	10	BBGE	
C[C@@H](O)CCCNc1ccc(B(O)O)cc1C#N	2317150975	LSWJXYBFSWXAHM-SECBINFHSA-N	248.091	-0.189	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)CCN1	2317152364	BBVCHLUXWBUSRG-SECBINFHSA-N	245.091	-0.964	50	10	BBGE	
NNC(=O)C1CCN(C(=O)c2cccnc2)CC1	66057440	OCNYTJPZDXNPLB-UHFFFAOYSA-N	248.286	-0.076	50	10	BBGE	
COCC1CCN([C@@H](C)C(=O)NN)CC1	69632734	RAQMRAXLOUAKGP-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
O=C(CCCCl)NCc1nnn[nH]1	70912795	FKTQIORYQAUGQB-UHFFFAOYSA-N	203.633	-0.165	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2cccn2)O1	82468454	QKVDJLUDNUTSLN-YUMQZZPRSA-N	210.237	-0.579	50	10	BBGE	
CCCN(CCC(=O)NN)C1CCNCC1	82471035	MFQULCOFWAKKCE-UHFFFAOYSA-N	228.340	-0.170	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)CCCCl	85087017	YORRLZHNDPKCBK-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
C[C@@H](Sc1nnc(N)n1C)[C@H](C)C(=O)NN	86314122	RDDWTRMPCLZHAB-CRCLSJGQSA-N	244.324	-0.496	50	10	BBGE	
C[C@H](CN1CCN2CCC[C@@H]2C1)C(=O)NN	86933502	ZLKVQYUEBOGHJB-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CCNCC1	110587977	MKYQCNAJPCZKRZ-UHFFFAOYSA-N	238.291	-0.403	50	10	BBGE	
CNC(=O)CNS(=O)(=O)CCCCCl	162538222	BTTFGPJIBNVBTD-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
Cc1cc(C#N)ccc1C(=O)NNC(=O)CO	182768069	WGSDSCSOVMSUNQ-UHFFFAOYSA-N	233.227	-0.380	50	10	BBGE	
O=C(CCl)N1CCCN(CCO)CC1	227258592	KPLPOYBQVJFZLP-UHFFFAOYSA-N	220.700	-0.248	50	10	BBGE	
COC[C@@H](CCl)NC(=O)[C@H]1COCCO1	228931044	RCPIXHFDPWQUJJ-HTQZYQBOSA-N	237.683	-0.228	50	10	BBGE	
CC[C@H](CO)NS(=O)(=O)CCCl	232298945	OMTUWMKMSYUTPB-ZCFIWIBFSA-N	215.702	-0.085	50	10	BBGE	
N#Cc1ncccc1S(=O)(=O)N=C=O	236414152	VUYHXVWCVMOQFF-UHFFFAOYSA-N	209.186	-0.022	50	10	BBGE	
N#Cc1cc(C(F)(F)F)ncc1B(O)O	238632518	ZAXDYEBDIDJZRC-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@H]1O	253206959	XLTDMPZHCZJXQA-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	300046609	XRXCDEAWDMCCEC-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
NC[C@@H](O)c1nnc(CBr)o1	307267102	LAUNVBMFIJTDKY-GSVOUGTGSA-N	222.042	-0.043	50	10	BBGE	
CCOC(=O)NCc1cccc(B(O)O)c1	309151485	WDMKLUSHWKUAKM-UHFFFAOYSA-N	223.037	-0.388	50	10	BBGE	
N[C@@H](CC(=O)NNc1ccccc1)C(=O)O	309227369	UQLATKHXQRSLAY-QMMMGPOBSA-N	223.232	-0.068	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@H](N)C1CCCCC1	310330668	YKZSBHZLGUPEII-SNVBAGLBSA-N	242.128	-0.246	50	10	BBGE	
CC(=O)N1CCc2c(B(O)O)cccc21	382743805	ORRLJEBPIOIIJM-UHFFFAOYSA-N	205.022	-0.725	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1O	383702014	NAPOINVKBGOGEF-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]2CO3)nc1	387642368	SXLASAHOEKWOLY-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387776605	XHHFYGHKKZZBDA-DJLDLDEBSA-N	213.281	-0.382	50	10	BBGE	
NC(=O)NN=CCC(=O)CCC(=O)O	388992774	FPTJQKOAAYRJOE-UHFFFAOYSA-N	201.182	-0.536	50	10	BBGE	
CC(=O)OCC(=O)/C=C/C=NNC(N)=O	394747437	OCAIDBVIDKPYRS-UDZCOAGGSA-N	213.193	-0.671	50	10	BBGE	
COC1CN([C@H](C(=O)NN)C(C)(C)C)C1	395603274	YUPPSPWVVGDNHX-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@H](O)C1CC1	396440952	FEGTYLCDXJBLPV-GHMZBOCLSA-N	221.065	-0.863	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCC[S@](C)=O	400643164	QECXWWSEFLJTCG-IYQDAUBNSA-N	227.713	-0.265	50	10	BBGE	
O=C(CC1CC1)Nc1cc(B(O)O)ccn1	405002291	ASLOGMPYXLIRIO-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1[C@H]2COC[C@H]12	405009255	OXMXEKAHZBAVPS-UWVGGRQHSA-N	247.059	-0.803	50	10	BBGE	
COC(=O)Nc1ncc(B(O)O)s1	405133900	IFMVMIZKZLVLFO-UHFFFAOYSA-N	202.000	-0.999	50	10	BBGE	
CNNC(=O)C1=C=NN(C)[C-]1Br	642833671	UBSBOYASSMAJKF-UHFFFAOYSA-N	232.061	-0.422	50	10	BBGE	
NNC(=O)CNc1ccc([N+](=O)[O-])cc1	687760942	KDZMMJKJOSOELJ-UHFFFAOYSA-N	210.193	-0.003	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O	689263389	UHSJVTNGOUFOJN-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
COC[C@@H](COc1ccc(B(O)O)cc1)OC	694714723	IABWFBHZPGSICC-NSHDSACASA-N	240.064	-0.593	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnn2)s1	699003375	SGPIZBNKIDJJAN-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)C[C@H]1CO	700400502	YLSGYPYLABXFIL-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
Cc1c(C[C@H](Cl)C(N)=O)nnn1C	701472799	HKELIUYJTYWKIX-YFKPBYRVSA-N	202.645	-0.241	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC2(COC2)C1	704376061	KLDMPZRANFKFGT-UHFFFAOYSA-N	237.259	-0.285	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718158617	DZUDKVWCMUMASK-AEJSXWLSSA-N	227.308	-0.421	50	10	BBGE	
O=C(CCl)N=S1(=O)CCNCC1	725261017	GDTODRMKWKQAIG-UHFFFAOYSA-N	210.686	-0.177	50	10	BBGE	
CCOCCOCC(=O)NNc1ncccn1	744322526	YRENGWGRSPZXQF-UHFFFAOYSA-N	240.263	-0.027	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)c(C)[nH]1	753438302	DBGQAHYXDMFLNL-UHFFFAOYSA-N	211.221	-0.615	50	10	BBGE	
CCN(CCCO)CC(=O)NNC(=O)C(C)C	1307503865	LPDGCNXLRAFPKK-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H](C#N)CO	1330849045	SEUYJZLZSOHNEU-HYDMIIDASA-N	209.205	-0.569	50	10	BBGE	
NC(=O)C(=O)NN=C[C@H]1CCCOCC1	1347988293	QFJBETUVQHBJFT-ZETCQYMHSA-N	213.237	-0.610	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cnc[nH]2)c1=O	1610993655	FQFGKMKZNWVWGU-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
CCNC(=O)NNC(=O)CCN1CC[C@@H](F)C1	1626812897	OBYNLECGUHQVTH-MRVPVSSYSA-N	246.286	-0.229	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)[C@H](C)CO	1640026568	VIEJRMFRIBFVFS-BDAKNGLRSA-N	215.297	-0.576	50	10	BBGE	
Cc1[nH]ccc1C(=O)NNC(=O)c1ncon1	1648112014	GGHLKSVVWPWFOO-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
NCc1nnnn1C[C@@H]1C[C@H]1Br	1877389427	ITUQAMUAMTZQRG-CRCLSJGQSA-N	232.085	-0.085	50	10	BBGE	
CO[C@H]1[C@@H](C(=O)CCl)NC[C@H]1OC	1878008141	HIVYCODLZICZRA-BWZBUEFSSA-N	207.657	-0.204	50	10	BBGE	
NC(=O)NC(=O)[C@H]1C[C@H]1Br	1880106935	DXZCIEJLXXZHGT-STHAYSLISA-N	207.027	-0.035	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)CCl	1880875771	CKGOGJBAEGRZNU-ZLUOBGJFSA-N	213.686	-0.129	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)CCl	1882320378	XQTWGIJMUARUNU-FSPLSTOPSA-N	207.657	-0.432	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1883645322	NPQHBQNCPCVZDR-WISUUJSJSA-N	206.629	-0.858	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)CBr)C[C@@H]12	1883971319	QVZNZMZESSZDFR-RFZPGFLSSA-N	247.092	-0.429	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)[C@H]2C1	1887071817	KCMZTAYBOLSEOC-VQVTYTSYSA-N	237.708	-0.131	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(CCCl)C[C@@H]21	1887083366	CFZUCPSVPZIAGU-BQBZGAKWSA-N	209.698	-0.046	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H]2CO)C(=O)NN	1895228970	IXILWBJLUUIPFQ-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@@H]2CC[C@@H]2O)[nH]1	1898103558	QHILAPNRACKYDD-RITPCOANSA-N	243.698	-0.577	50	10	BBGE	
C=C(CN1C[C@@H]2CC[C@H](C1)N2CC)B(O)O	1899570320	VNPYUGVNCPHYBI-PHIMTYICSA-N	224.113	-0.277	50	10	BBGE	
C=CC[C@H]1CCC[C@H]1NC(=O)C#CB(O)O	1900342762	JXCBGDFUFGPRPH-VHSXEESVSA-N	221.065	-0.137	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C1(C)C)C(=O)NN	1900686219	KSWOYIFPCPIBEY-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
CN(NC(=O)c1ccc(N)cn1)S(C)(=O)=O	1901377515	PIPLYYVFLIBPKM-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
Cc1nc(CN2CC[C@H](B(O)O)C2)nn1C	1902511020	DMWGVIUQLGBCAI-QMMMGPOBSA-N	224.073	-0.828	50	10	BBGE	
C[C@]1(B(O)O)CCN(S(=O)(=O)CC2CC2)C1	1902514346	VXHTYBHZFJMNKN-VIFPVBQESA-N	247.125	-0.335	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]3CC[C@H]32)n1	1902639602	SIMCMNTVSNIFBB-JGVFFNPUSA-N	238.121	-0.193	50	10	BBGE	
O=C1N[C@@H]2CCC[C@@H]2N(C[C@@H](O)CCl)C1=O	1902678673	UGPLJKVZIINCOD-RNJXMRFFSA-N	246.694	-0.534	50	10	BBGE	
C=C(C)CCN=c1cc(B(O)O)c(F)c[nH]1	1903010024	LCACPLNGZFCHBA-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	1904371315	UFAIRRJPHKLCTN-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1csc(B(O)O)c1	1904906817	OEUXZMDLHFPPRC-LJGSYFOKSA-N	243.068	-0.342	50	10	BBGE	
O=C(C=Cc1ccccc1F)NCB(O)O	1911738798	OPAWWDDQESKDKO-UHFFFAOYSA-N	223.012	-0.033	50	10	BBGE	
Cc1ccnc(C(=O)NN(C)C)c1C#CCN	1927127322	UVBDAAJNSZVMAJ-UHFFFAOYSA-N	232.287	-0.093	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CO	1927916630	QVMGKMXQYBKHTI-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](CC(N)=O)N(C)S(=O)(=O)CCl	1931393130	TXDKTKLTVKKJMC-RXMQYKEDSA-N	228.701	-0.292	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCCCO1	1932338395	QIDVTJHOHFHIJQ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CN(C)[S@@](=N)(=O)N1CCC(O)(C#N)CC1	1933477237	OXINRIQEZLDARM-OAHLLOKOSA-N	232.309	-0.225	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)C2(CC2)C1	1935772089	OLQQACYVXGLYEA-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089786	FJERDAYXPBIBLI-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CN(Cc1cccnn1)C[C@@H]1C[C@H]1C(=O)NN	1941083561	AIWLNAZUKMLZBS-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
CCc1nn([C@@H]2CCOC2)c(CC)c1B(O)O	1944691774	KIAQSPITBIVMLR-MRVPVSSYSA-N	238.096	-0.351	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCOC[C@H]21)C(=O)NN	1945075688	TZPKOACCQHNLSI-LMLFDSFASA-N	241.335	-0.173	50	10	BBGE	
COC[C@@]1(O)CCCN(CCC(=O)NN)CC1	1946479189	NKMNMSFJRIAFNM-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
C[C@@H](CN1CCOC[C@@H](C2CC2)C1)C(=O)NN	1947399886	RWNWZEIWQHNARZ-ONGXEEELSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CN(C[C@H](O)CCl)CC(=O)N1	1954821159	SYFZHZAXLNBZHV-NKWVEPMBSA-N	206.673	-0.594	50	10	BBGE	
CC(C)[C@H](O)CN(C)CCC(=O)NN	1956483943	CCBVIKCCYCAIJB-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
NNC(=O)CN1CC[C@H]2OCCC[C@@H]2C1	1961287919	CKFYPTALFLPQGH-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	1961399615	PEKFXUDQVGLIKU-MRTMQBJTSA-N	213.281	-0.931	50	10	BBGE	
CC(C)C1CN(c2nc(B(O)O)cs2)C1	1961717903	HWTGEIBGBCEMEV-UHFFFAOYSA-N	226.110	-0.085	50	10	BBGE	
NC(=O)NN=C1CO[C@@]2(CCCOC2)C1	1975209269	ORNQULCFLYDOEC-VIFPVBQESA-N	213.237	-0.020	50	10	BBGE	
CC(C)C[C@@H]1COCCN1C(=O)C(=O)NN	1980790395	DKMOKTCBOMROOD-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
O[C@@H](CCl)CN1CCN([C@H]2CCOC2)CC1	1981053736	NCLQXULPWOGQCZ-QWRGUYRKSA-N	248.754	-0.007	50	10	BBGE	
CC1(C)CCN(c2ccncc2B(O)O)C1	1981426594	OYZHGQGEKYXQOM-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(F)(F)C2)n1	1981447214	KJCBMEIFNHHAOY-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
CC[C@@H](COc1nc(B(O)O)cs1)N(C)C	1983914524	UDQSMDMHBAVMMB-ZETCQYMHSA-N	244.125	-0.458	50	10	BBGE	
CN(C(=O)NN)[C@@H]1COC2(CCOCC2)C1	1984300956	LTCURVRYYLJZMI-QMMMGPOBSA-N	229.280	-0.160	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H]2CF)CC1	1985770056	QHSHRFTWRZPOGF-MRVPVSSYSA-N	231.271	-0.573	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NCC2(O)CC2)[nH]1	1987322215	JOFDCITXOSTWTO-RXMQYKEDSA-N	243.698	-0.057	50	10	BBGE	
COc1nc(=NC[C@@H]2C[C@H]2Cl)nc(NN)[nH]1	1991438275	LEXMTVYQXFMDGD-CRCLSJGQSA-N	244.686	-0.373	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CO[C@H]2CNC[C@@H]12	1991452318	UALWVATWAQYXPK-CIQUZCHMSA-N	244.722	-0.036	50	10	BBGE	
CN1CCC[C@H](Oc2nc(B(O)O)cs2)C1	1992113293	IYGXBIFMOZKHIT-ZETCQYMHSA-N	242.109	-0.704	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1[C@@H]2CC[C@@H]12	1997529270	KUFVCHJXYXUOHN-HTQZYQBOSA-N	232.048	-0.644	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN1CCOCC1	2003809791	BMRJZQHLIMTFLH-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC[C@@H]1CN2CCC[C@@H]2CN1[C@@H](C)C(=O)NN	2004368548	DVUPFBQEBVNFQT-HBNTYKKESA-N	240.351	-0.077	50	10	BBGE	
Cc1nnc(CN(C)CC(C)(C)C(=O)NN)o1	2004409169	GRECALFRLVALRU-UHFFFAOYSA-N	241.295	-0.174	50	10	BBGE	
CCOCCCOc1nc(C)ncc1B(O)O	2004929946	PMGXDBVPJWXSJN-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
C[C@]1(Oc2ncc(B(O)O)cc2F)CCOC1	2004933582	JNQQJIYSXCZLLV-JTQLQIEISA-N	241.027	-0.542	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@H]1[C@@H]2CO	2024085779	HUHBYZKOWDRKHH-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)c1cc(CN2Cc3conc3C2)on1	2042301836	QRXFLBBMKQHNNI-UHFFFAOYSA-N	249.230	-0.218	50	10	BBGE	
Cc1ncn(Cc2nn(C)cc2C(=O)NN)c1C	2050240999	DNAHONORKUCQFS-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
CCOc1cc(B(O)O)cc(C=O)c1OC	2060133206	WJDASOXTXPPAQB-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
O=Cc1c([N+](=O)[O-])ccc(Cl)c1B(O)O	2060137035	MUZYYSDBZJAAGJ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1COC2(CCC2)C1	2076749096	FRNUWRWUAMXFAU-SECBINFHSA-N	249.075	-0.148	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2CC[C@@H]21	2079008758	MIOKRSPZGATYEA-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccccc1B(O)O	2079009916	LXLVPCBTFNMJLB-HLUHBDAQSA-N	245.087	-0.105	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	2079515005	LKVFQYRHWQFPSA-DTWKUNHWSA-N	248.091	-0.008	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@@]1(C)CO	2211783802	WUBJDPSKTMCOPS-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
C=CCOC(=O)NCc1cnc(B(O)O)s1	2212133896	NLCOQNSCQIALJO-UHFFFAOYSA-N	242.065	-0.765	50	10	BBGE	
CN1CC2(CCN2CC(C)(C)C(=O)NN)C1	2212305453	HPQKTLJQKSBPAR-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
C#C[C@H](CCC)Nc1ncc(B(O)O)cn1	2212612551	LVOCYHQBYKQKEU-SECBINFHSA-N	219.053	-0.630	50	10	BBGE	
C#C[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214606420	WKDRATXXBKNNCU-CYBMUJFWSA-N	229.088	-0.036	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1cc(B(O)O)ccn1	2214995545	UEWVTJGAAIBRMN-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@H]32)CCOCC1	2216873615	YQTMYPWUFIVIEH-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CCCCN(CCO)c1cc(B(O)O)ccn1	2217175248	GKPOUCFCKGUQIK-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
Cc1cnc(OC[C@H]2CCCN2)cc1B(O)O	2217183672	KBHMHHDLZKWMPZ-SECBINFHSA-N	236.080	-0.799	50	10	BBGE	
CC[C@](C)(CO)Nc1nccc(B(O)O)c1F	2217184307	OGDZVIKJFXPQDD-SNVBAGLBSA-N	242.059	-0.527	50	10	BBGE	
CN(Cc1ccsn1)c1cc(B(O)O)ccn1	2217198321	ZPGBNKNHOJMFRA-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)c1cc(B(O)O)ccn1	2217199368	LUTZEDWVCKEAES-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
C=C[C@H](Nc1ncc(B(O)O)cn1)C1CCC1	2217200213	IRKPCCLILQQYKU-JTQLQIEISA-N	233.080	-0.077	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCNC1	2217200875	VRXGUKWJMKOKPV-VIFPVBQESA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	2217201579	YVJWVQMJRAGTRY-CDDJKKQXSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC3CC2C3)c1	2217203856	AZTUYZJBSKAUQK-YXGXMSFMSA-N	234.064	-0.649	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3CNC[C@@H]32)c1	2220066939	UPWSBGJOXWMAIH-AAEUAGOBSA-N	246.119	-0.840	50	10	BBGE	
C[C@@H]1C[C@@H]1CCn1cnc2c(B(O)O)ncnc21	2220957252	FRJAWFGFQGFYMM-SFYZADRCSA-N	246.079	-0.448	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12CCOC[C@@H]1C2	2223626719	JBZCELCNKPRRGQ-JOYOIKCWSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@]23CCCOC3)nc1	2223647034	SEAXTDPJURAOCA-ZYHUDNBSSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1ccc(OC[C@]23CC[C@@H]2CNC3)nc1	2223655723	DOPHAUMKKSDHAZ-BXKDBHETSA-N	248.091	-0.860	50	10	BBGE	
Cc1cnc(CNc2cc(B(O)O)ccn2)cn1	2223668778	BFFUYGLYZHWNCC-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CC1(C)CNCC[C@H]1Nc1ccc(B(O)O)cn1	2223669661	MMYLBCIOPMPKJY-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
OC[C@H]1CC2(CC2)CN1c1cc(B(O)O)ccn1	2223674255	ONWXZRCHOGGZAH-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
C#CC[C@@H]1CCCCN1c1ncc(B(O)O)cn1	2223676834	GNCCQRHLRIGJFV-LLVKDONJSA-N	245.091	-0.461	50	10	BBGE	
C[C@@H](CF)N(C)CC(F)(F)C(=O)NN	2241720157	NREMOGPNUVDNLQ-YFKPBYRVSA-N	213.203	-0.099	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2C[C@H]21	2243362371	PWSKHYUAYFYMHB-RNFRBKRXSA-N	221.021	-0.806	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1occc1B(O)O	2243364614	ZWYSDERMUZTWFO-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
C=C(Cl)CNC(=O)c1cncc(B(O)O)c1	2243403697	BECOKKBIVLWJJY-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
CO[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243409481	ISTOHLBNXBSETF-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
Cc1csc(C(=O)NN2CCC2)c1B(O)O	2243415271	RAJXEDBTLAQXPD-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C=C(CS(=O)(=O)NCc1ccco1)B(O)O	2243419722	FPCMLKOUDRBLKX-UHFFFAOYSA-N	245.065	-0.733	50	10	BBGE	
C[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2243752112	FQVVVMJJPAKCMD-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cocc1B(O)O	2244216382	JWRKTDSDEUXVIW-IMTBSYHQSA-N	223.037	-0.560	50	10	BBGE	
C=CCN(OC)C(=O)c1occc1B(O)O	2244272271	OVJSMORCORMMLK-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
C#C[C@@H](NC(=O)c1cscc1B(O)O)C1CC1	2247735468	ZBYHTWKZRPKHAW-SNVBAGLBSA-N	249.100	-0.431	50	10	BBGE	
CCCc1nc(CNC(=O)C#CB(O)O)co1	2247740829	QDVVNCIQXNBBDO-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
CCC[C@H](CO)CNC(=O)C1(B(O)O)CCC1	2247753306	FEOMIZZGADVSIN-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2247757931	YKWVACDTCNIIDA-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)c(B(O)O)c1	2247761158	RRAXTWLPIMIFPX-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247787246	MLIRIQJCSNDXNL-AEJSXWLSSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787637	RKYRSSFWXUSCHI-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCN1	2247790280	GLFHCWWJPKOAQG-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247800498	PPRQACDOHYSSLF-IVZWLZJFSA-N	242.128	-0.304	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCC[C@@H]1CO	2247805624	BVPUORNXOXHSBC-UDNWOFFPSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247806921	OZRWUGWLXMTKLL-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2247807115	PYIQKFIEQLHQTM-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CCCCCN1)[C@@H]1C[C@@H]1B(O)O	2247810729	ZSPPDGWOPJVHDJ-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC1(CCF)CC1)c1cc(B(O)O)c[nH]1	2247846899	ODKUVNMNQFJHQX-UHFFFAOYSA-N	240.043	-0.684	50	10	BBGE	
CCC1(N)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247860177	STFYXEAMWCIHBY-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)NC(=O)C1CC(B(O)O)C1	2247860671	ZROOWVQVZHRSJB-AUXWQGHOSA-N	243.112	-0.239	50	10	BBGE	
CNC(=O)c1ccc(B(O)O)cc1C(F)(F)F	2247872553	ULGSEDIDZAHPSP-UHFFFAOYSA-N	246.981	-0.255	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CC[C@H]1N	2247873685	LYTYHIRNEGMTFG-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
C[C@@]1(CO)CCN(C(=O)C2(B(O)O)CCC2)C1	2247875701	ATJZMRLFCHYYTR-SNVBAGLBSA-N	241.096	-0.386	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247899480	NOPPGYYADXRSKM-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](C(=O)O)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2248575185	YPFXKSVSIQIDRB-NJUXHZRNSA-N	241.052	-0.687	50	10	BBGE	
CN(Cc1ccnnc1)C[C@@H]1C[C@@H]1C(=O)NN	2251563318	UIFZFEHNNYITEQ-UWVGGRQHSA-N	235.291	-0.466	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)c1ccccn1	2255463357	HWJLMSXTBUXDOP-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2255469321	NPDLNFNPCFARCP-SZEHBUNVSA-N	249.075	-0.170	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cc1OC	2255501080	AECSYGOUSIJWIK-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
Cc1ccc(C(=O)Nn2cccc2)cc1B(O)O	2255512343	YFDJQKAIAGXRMP-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ncccc2B(O)O)[C@@H]1C	2255516676	OSALDIYVJCMSKY-AYMMMOKOSA-N	248.091	-0.607	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1ncccc1B(O)O	2255517830	XQQDGYWBRXKCHU-SECBINFHSA-N	246.075	-0.543	50	10	BBGE	
Cc1ccnc(C(=O)N(C)[C@H]2C[C@@H]2C)c1B(O)O	2255575199	MUTRSHIQBCDLSA-IUCAKERBSA-N	248.091	-0.450	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1ccc(B(O)O)o1	2255671568	SWVHYVFEYIJOIL-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
Cn1nccc1[C@@H]1CCCN1C(=O)C#CB(O)O	2255674602	NPGMJBRRIOSFJI-JTQLQIEISA-N	247.063	-0.901	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2255679950	WHIXCBGYIGOSEZ-JBDRJPRFSA-N	247.059	-0.560	50	10	BBGE	
O=C(NCc1cnc2n1CCC2)[C@H]1C[C@H]1B(O)O	2255683143	RGBPNEGEKAJKKW-DTWKUNHWSA-N	249.079	-0.692	50	10	BBGE	
CO[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376294	QCALSOZGIFJLCJ-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C(C)(C)CN1	2298376475	YIQCJVYVKRZIIH-DJLDLDEBSA-N	240.112	-0.552	50	10	BBGE	
CC(C)=C(CN1CCC2(CN(C)C2)C1)B(O)O	2301846510	JLCWPCRDSJLGMO-UHFFFAOYSA-N	238.140	-0.028	50	10	BBGE	
C[C@H]1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C[C@@H]1O	2302568437	LROGIXGLGNXNHR-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@@](C)(B(O)O)C1)C1CC1	2303107905	CEBAWDDQCVQIOW-MWLCHTKSSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1	2303114224	JSHQNOKRNKPPCY-GJMOJQLCSA-N	243.068	-0.582	50	10	BBGE	
CC[C@@](C)(CN(C)CCC(=O)NC)C(=O)NN	2303424512	SBPCDFRFNARANP-NSHDSACASA-N	244.339	-0.540	50	10	BBGE	
CC[C@](C)(CO)Nc1cc(B(O)O)c(F)cn1	2303847090	CJFBSLWXEAYHHY-SNVBAGLBSA-N	242.059	-0.527	50	10	BBGE	
OB(O)c1cc(N2O[C@H]3CC[C@H]2C3)ncc1F	2303847363	IBLJYGSMRHFZDR-BQBZGAKWSA-N	238.027	-0.427	50	10	BBGE	
Cc1nc(N(C)[C@H]2CC[C@@H]3C[C@H]23)ncc1B(O)O	2309539398	WEWYVEPWYSWSJR-YWVKMMECSA-N	247.107	-0.300	50	10	BBGE	
NC[C@]12C[C@H](CCN1c1cc(B(O)O)ccn1)C2	2318310778	FXIQRPYAZBGZLA-WVSHTKLVSA-N	247.107	-0.921	50	10	BBGE	
CCC#CC(=O)Nc1ccc(B(O)O)cc1OC	2319239667	FVCXHDRTHJISJI-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cn(C)c(=O)n(C)c1=O	20431118	DGVRLKKVGUQRCM-RXMQYKEDSA-N	230.651	-0.106	50	10	BBGE	
C[C@@H](SS(=O)(=O)O)C(=O)NCC(=O)O	33877019	HMAJPWMZGKMWSD-GSVOUGTGSA-N	243.262	-0.888	50	10	BBGE	
CNC(=O)CN(C)C(=O)NC(=O)[C@H](C)Cl	37269387	BHIMCLWSZYPHQG-YFKPBYRVSA-N	235.671	-0.472	50	10	BBGE	
CCNC(=O)CN(C)C(=O)NC(=O)CCl	49724958	ZMHNQNMXKGMMGT-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
CC(C)N(CCO)C[C@H](C)C(=O)NN	58841161	JWBNJFCGXUHBGR-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
NNC(=O)c1ccoc1Cn1cnccc1=O	111403002	CLACTLSYMBLQRY-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C(=O)CCl	130222833	IHJKQASGYTVBTQ-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CCNCC1	131426895	QPAHFDYUHVJOPT-UHFFFAOYSA-N	248.330	-0.376	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCCO1	199005377	RAKQSUZGEJHKLC-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)CCCO1	203131482	VEDUAJRPOQJNMR-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CN1CCO[C@@H]2CCC[C@H]21)C(=O)NN	216480272	NIVGKAREABITNN-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](OCC1CCOCC1)C(=O)NN	232418290	XQJWVCJCXYXTBA-SECBINFHSA-N	232.280	-0.566	50	10	BBGE	
CCOC(=O)CS[C@@H](COC)C(=O)NN	232421378	FVDPKGWPSOWSEF-LURJTMIESA-N	236.293	-0.712	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1ccc(F)cc1	259010235	HOPPIHKUWPNJNA-VIFPVBQESA-N	211.240	-0.054	50	10	BBGE	
N#C[C@H](O)c1cccc(N2CCNC(=O)C2=O)c1	260560120	LBBZYGSUYVQPPO-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCOCC1	306011642	WXEAXQGVCJBJLT-UHFFFAOYSA-N	236.275	-0.483	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccco1	306519550	CWXXWGNFEKXJHY-UHFFFAOYSA-N	204.207	-0.526	50	10	BBGE	
Cn1cc([C@@](O)(CCl)C(N)=O)cn1	307588465	XECQFLCINQAHQY-ZETCQYMHSA-N	203.629	-0.668	50	10	BBGE	
CN1CC[C@@H](N(C)CCCC(=O)NN)C1	308932048	RNFRYALRWOWBSW-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
Cc1ccc(Cn2ccccc2=O)cc1B(O)O	314144574	JAHHQDYNDYOZMA-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2CCC2)CC1	328412841	PJGRURXUDHCQJW-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
CC1(CNNC(=O)[C@@H]2COCCN2)CC1	379462140	UGHCQEPGEFQNAY-QMMMGPOBSA-N	213.281	-0.604	50	10	BBGE	
C[C@]1(CO)CCN(CCCC(=O)NN)C1	381406297	WPRTWMWJPKVJLS-JTQLQIEISA-N	215.297	-0.539	50	10	BBGE	
COc1cc(-n2cc(C)cn2)ccc1B(O)O	382635976	CMFLMQCWMGINGC-UHFFFAOYSA-N	232.048	-0.131	50	10	BBGE	
CN(C)C1CN(Cc2nc(C(=O)NN)co2)C1	386914329	CQKRZRPQDOHWRP-UHFFFAOYSA-N	239.279	-0.976	50	10	BBGE	
Nc1cc(B(O)O)c2sc(CO)cc2c1	396244078	LXPKQKSWYOIYFE-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
COCCCC(=O)Nc1cc(B(O)O)ccn1	404953381	UKYZIVFENFEPFC-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)CN(C)C	405023355	GPMQMJTUNSEDPM-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
COC(=O)N(C)N=Cc1c[nH]c(=N)[nH]c1=N	496297353	WYHMHHDKMUQXLW-UHFFFAOYSA-N	224.224	-0.666	50	10	BBGE	
NNC(=O)C[S@@](=O)CC(=O)c1ccccc1	586371553	AKVLLDGRMMTDGM-INIZCTEOSA-N	240.284	-0.392	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1N(C)C(=O)C(=O)NN	688144420	KCCMPIVKYVQBNA-SFYZADRCSA-N	229.280	-0.894	50	10	BBGE	
Cc1cccc(Cn2ccc(B(O)O)n2)n1	694307370	HIDHIPDUXWBTFC-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@@H]1C1CC1	699061059	JIMHEHLEFVSACY-RKDXNWHRSA-N	246.075	-0.254	50	10	BBGE	
Cc1noc(C)c1CCC(=O)NNC(N)=O	700849887	WMVKKJVNIRMVMO-UHFFFAOYSA-N	226.236	-0.076	50	10	BBGE	
COc1cccc(/C=C\C(=O)NCB(O)O)c1	702031687	ZTEUNMGCDSOYAP-WAYWQWQTSA-N	235.048	-0.163	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	707558258	MSEDQTWARJATIY-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1CO	708079190	DBKJGBKROPVMER-KYXWUPHJSA-N	229.324	-0.439	50	10	BBGE	
CC(C)C(=O)NCc1ncc(B(O)O)s1	714707453	UCPUTGXODSVGFV-UHFFFAOYSA-N	228.082	-0.905	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nc(O)cc(O)n1	716515852	CBSXEFSPVRWGJN-BYPYZUCNSA-N	244.276	-0.252	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)Nc2ccccc2B(O)O)C1	718556021	BGDOKPJCTSIMIR-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
C[C@H](O)C1CN(Cc2cc(C(=O)NN)co2)C1	719805520	AAYCLUCUBNRGIY-ZETCQYMHSA-N	239.275	-0.304	50	10	BBGE	
C[C@H]1CCN(C[C@H](C)C(=O)NN)CCO1	720469018	AJTRDPLEFNINLN-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@]1(C)CO	725674137	SOCQVRYQWKXVFM-ZXFLCMHBSA-N	221.684	-0.042	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1nccnc1OC	910584013	RMYVELMHECSQBR-SDLBARTOSA-N	238.247	-0.135	50	10	BBGE	
CNC(=S)NNC(=O)CC1(C)OCCO1	1088648242	SPFDCSIYLOPXSJ-UHFFFAOYSA-N	233.293	-0.735	50	10	BBGE	
O=C(NNc1ncnc2[nH]cnc12)[C@H]1C[C@@H](O)C1	1306648509	RGPGEMUAQWIOOY-OLQVQODUSA-N	248.246	-0.433	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C1(O)COC1	1623595743	WDOZMWISPUFUQJ-UHFFFAOYSA-N	232.236	-0.696	50	10	BBGE	
Cn1cc(C(=O)C(=O)NN=c2cc[nH]cc2)cn1	1638328766	XAYNFQHZHSLEOH-UHFFFAOYSA-N	245.242	-0.437	50	10	BBGE	
CCOCCC(=O)NNC(=O)c1ccnnc1	1639367035	CMUDGROVIXUKNI-UHFFFAOYSA-N	238.247	-0.336	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC2CC(Cl)C2)C1	1884419704	MSASLTYZJXMCOL-DWYQZRHDSA-N	239.724	-0.496	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1884657814	KFSWTCCFOUHQMI-CBAPKCEASA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@@H](CO)CO[C@H]2C1	1885045177	XSEOUEANRZFFPM-RNJXMRFFSA-N	219.668	-0.309	50	10	BBGE	
COC[C@H](S[C@H]1CC[C@@H]1N)C(=O)NN	1887478077	GJYDOAQECYHZON-ACZMJKKPSA-N	219.310	-0.786	50	10	BBGE	
CC(C)[S@@](=O)N1CC[C@@H](B(O)O)C1	1891516256	GFLNIHXMGVFSJP-FUXBKTLASA-N	205.088	-0.393	50	10	BBGE	
C[C@H](CN1CCN(C)[C@@H]2CC[C@@H]21)C(=O)NN	1895003972	RWRRMEIIGAVFMR-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCNC2=O)C1	1895941115	MLQMTZRQQMPFCT-JGVFFNPUSA-N	226.280	-0.582	50	10	BBGE	
N#CCCC1CN(C(=O)C2(B(O)O)CC2)C1	1900621626	LBUZQFKPLJLRKD-UHFFFAOYSA-N	222.053	-0.244	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	1901323864	ONFITUXSWCNNID-UYAYMFIHSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](COC[C@@H]1COCCCO1)C(=O)NN	1901434719	AFZPBKCFXXZGAY-BDAKNGLRSA-N	232.280	-0.566	50	10	BBGE	
COC[C@@H](CCCl)NC(=O)Cn1cnnn1	1902911253	CLHACSZYAGVVTA-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
C[C@@]1(N)CCN(C(=O)C2CC(B(O)O)C2)C1	1904673970	SKFYGDNCKJIREY-SFVIPPHHSA-N	226.085	-0.811	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@@H]2Cl)[C@H]1C1CNC1	1904678432	AWVGRNAQEXXKKO-HGNGGELXSA-N	243.738	-0.367	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3C[C@@H]3C2)n1	1907077379	SPZBJSYTXDQIDG-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@H]1[C@@H]2COC[C@@H]21	1907365670	ZBGPVWKTLNHWFE-HWUMTFDVSA-N	239.319	-0.563	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCC(=O)NN	1914252829	ALAMIRKDIFOKLF-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@@H](C)C(=O)NN	1914255068	LPLCSRWGJQAZLL-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC1(O)CCC1	1914572665	AXBBHXPOKWCMHW-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1C[C@H](Cl)CN1C(=O)Cn1cnnn1	1928697208	WVNHKHZZVLXCOS-RQJHMYQMSA-N	229.671	-0.099	50	10	BBGE	
O=C(NNCCO)[C@]12CCC[C@@H]1OCC2	1929832891	ABEULLVWLPGUNF-WPRPVWTQSA-N	214.265	-0.441	50	10	BBGE	
O=C(NNCCO)c1cncc(Cl)n1	1929834702	GITWBTCHFZYACE-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
C[C@H](O)CN(C)CC1(C(=O)NN)CC1	1931265949	YDOJAGVIHMRSRS-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]1(C)CO	1932967358	MFCVOQRWVDQDEU-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CC1CC(Oc2cncc(B(O)O)c2)C1	1933211890	DNOHOVJTFGVRLW-UHFFFAOYSA-N	207.038	-0.061	50	10	BBGE	
Cn1cc([C@@H]2CS(=O)(=O)C[C@@H]2Cl)nn1	1934429488	YTTVHKWMTYZIPS-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
C[C@H](CCl)Cn1c(=O)n(C)c(=O)n1C	1934715350	SDNPLKYZVGRGMY-ZCFIWIBFSA-N	219.672	-0.240	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1936027174	UULIRMRFBIGVOC-IWSPIJDZSA-N	233.287	-0.450	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CCO	1936088359	MMRRTARROQMUHP-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)[C@@H]1CCCCO1	1937866985	UPFIAAKJMOAQAU-ZETCQYMHSA-N	229.280	-0.560	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@@H](C)C(=O)NN)C2	1942326217	QQUASQVAPBTXGK-MRVPVSSYSA-N	237.307	-0.367	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1C[C@H](C)C(=O)NN	1942614101	UZDUUYTZPKVLHL-VGMNWLOBSA-N	242.323	-0.931	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](O)(C(C)C)C1	1945550229	YLEURFJXWPBAMM-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@]1(OC)CCN(C[C@@H](C)C(=O)NN)C1	1946475492	TWKBXAUSPRAEID-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@]12CC[C@@H]1C2	1951285162	SJOKHZQWIQCRIC-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)[C@@H]2C[C@H]21	1953944568	RZUYPVQPVLEAON-RNFRBKRXSA-N	224.713	-0.099	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@@H](O)CCl	1954179939	OFWSZLAYVWQZCE-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@@H](O)[C@H](O)C1	1954508947	KYNVEEZDOWVKJQ-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cnsc1	1955605635	PBPBAGDYZLRHKF-SCSAIBSYSA-N	214.250	-0.690	50	10	BBGE	
O=C1CN(S(=O)(=O)CCl)[C@@H]2CC[C@H]2N1	1956631265	ZJRYXMRIAKKCDX-PHDIDXHHSA-N	238.696	-0.525	50	10	BBGE	
C[C@@H]1CC[C@H]([C@H](N)C(=O)NN(C)C)O1	1956967202	CRPGBNLTWHZOSD-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
C[C@H]1CC[C@H](CCNC(=O)C(=O)NN)O1	1958886019	XNWQFEITXLLAJB-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
CC(C)(CN1CCO[C@H]2C[C@H]21)C(=O)NN	1961507568	BSVNQCJIWJVSGG-SFYZADRCSA-N	213.281	-0.524	50	10	BBGE	
Cc1nc(O[C@H]2C[C@@H]2C)ccc1B(O)O	1961688302	SKWDRDBQSMNKMR-RCOVLWMOSA-N	207.038	-0.143	50	10	BBGE	
CC12CC(C1)N(c1nc(B(O)O)cs1)C2	1961717567	CCNLLRXKCRFFSD-UHFFFAOYSA-N	224.094	-0.188	50	10	BBGE	
C[C@H](CN(C)c1ccnn1C)C(=O)NN	1961788760	GGACPLGISBBONI-SSDOTTSWSA-N	211.269	-0.518	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)C1CC(Cl)C1	1965141047	VBOMHJQPVRFCID-LFHVAVFRSA-N	221.684	-0.138	50	10	BBGE	
NC(=O)C1(CNS(=O)(=O)CCl)CC1	1972478363	KENNBTLKBAXAFL-UHFFFAOYSA-N	226.685	-0.632	50	10	BBGE	
O=C(c1cnn[nH]1)N1C[C@H](Cl)[C@@H]2COC[C@@H]21	1975954269	XWQFREMNOAZDRY-HAFWLYHUSA-N	242.666	-0.117	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cnc(C(=O)NN)s1	1975983801	YCPJYYFQYNWYFO-RXMQYKEDSA-N	240.288	-0.133	50	10	BBGE	
CO[C@@H](C(=O)O)C1CN(C(=O)NN(C)C)C1	1981315907	FCDKOJYUEACXSO-SSDOTTSWSA-N	231.252	-0.796	50	10	BBGE	
C[C@@H]1CC[C@H](Oc2ncc(B(O)O)cn2)C1	1981419822	BFIKHXCFFNCGCN-APPZFPTMSA-N	222.053	-0.276	50	10	BBGE	
CN(CCCO)C[C@@H]1CC[C@@H](C(=O)NN)C1	1985357917	UMZUAQCAAPAYKX-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1[C@H](O)CN1c1nc(CCCl)nc(=N)[nH]1	1985742767	MWVCLNXEJSXBBN-NTSWFWBYSA-N	243.698	-0.365	50	10	BBGE	
COC1CC(CCN(C)C(=O)C(=O)NN)C1	1987263749	HQXRWUBAWTUCGU-UHFFFAOYSA-N	229.280	-0.750	50	10	BBGE	
COC[C@H](C)Oc1ncc(F)cc1B(O)O	1988003888	NZPJAYKLTCCBEM-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COCC[C@@H]21	1989937456	YIZPHHVKDJDYNX-BQBZGAKWSA-N	235.234	-0.668	50	10	BBGE	
COC[C@H]1CCN(CCCC(=O)NN)C1=O	1990100490	RORQYTOBPMACRJ-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)[C@@H]1CC12CCC2	1991326530	HSJIMRXBJZZOBM-MRVPVSSYSA-N	245.109	-0.583	50	10	BBGE	
CN1C[C@H](C(=O)NC[C@H]2C[C@@H]2Cl)NCC1=O	1991431713	GMVLWIOGSJKGFB-GJMOJQLCSA-N	245.710	-0.840	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@H]1CNCCO1	1991705437	FABHNLKNGKFXQO-FHKCNRDCSA-N	246.694	-0.197	50	10	BBGE	
C=C(CN(C)C[C@@]12CCOC[C@H]1C2)B(O)O	1992144856	FVVKXJTVTAHTQS-MNOVXSKESA-N	225.097	-0.087	50	10	BBGE	
NNC(=O)C1(CN2CCC23CC(CO)C3)CC1	1997987881	QPJVHYYOOASDIU-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
CO[C@H]1C[C@H](CO)N([C@@H](C)[C@H](C)C(=O)NN)C1	2002123132	YVWQBOYOSYHNJO-QEYWKRMJSA-N	245.323	-0.918	50	10	BBGE	
CCN(Cc1ccnn1C)C[C@H](C)C(=O)NN	2003810775	FNEIDHWCJNIJKX-VIFPVBQESA-N	239.323	-0.132	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC12CCN(C)CC2	2003955716	BUIFEKCNLLTHCE-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@H]2C1=O	2004109289	OXJLLCCBENIRKS-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)c2cccnc2O1	2004296809	AAPZQFLQHARULA-ZCFIWIBFSA-N	236.231	-0.815	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C)(C#N)CC1	2004358093	GLUPHWDMCNKKQC-VIFPVBQESA-N	240.307	-0.383	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@@H]3C2)ncc1B(O)O	2004970459	BWBFZWKCYUYTLS-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ncc(B(O)O)cc1F	2005013843	BOTBIOUESVCEMJ-XPUUQOCRSA-N	242.034	-0.163	50	10	BBGE	
CO[C@@H](C)CCN(C)c1ncc(B(O)O)cn1	2009688686	CYXMRQMAMBAQHS-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCCC1(F)F	2021157601	ONJYXMRNUIFAQK-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
Cc1ncc(OCC2(C)COC2)cc1B(O)O	2021345375	LTKNRUHXJHIGPQ-UHFFFAOYSA-N	237.064	-0.515	50	10	BBGE	
CCCOc1cnn(-c2ccc(B(O)O)cn2)c1	2052602411	JLVWGFQEQMZEMP-UHFFFAOYSA-N	247.063	-0.264	50	10	BBGE	
CCCc1nccn1-c1ncnc(C)c1B(O)O	2052608438	IUXMCVODJHSNFQ-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1[C@H]2COC[C@H]21	2054204825	ZGJVWFDLDBWEFI-AKZRSSKFSA-N	247.059	-0.803	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1	2055385450	CXZPIZYQFNBGJZ-UHFFFAOYSA-N	246.230	-0.804	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(COC3)C2)cn1	2056632215	UDNHKAGRYZJNBA-UHFFFAOYSA-N	248.286	-0.483	50	10	BBGE	
CCOc1cc(F)c([N+](=O)[O-])c(B(O)O)c1	2060130278	GIYJPMRFJMQUIJ-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
O=Cc1ccc(Cl)c([N+](=O)[O-])c1B(O)O	2060131392	GHVVXMDYSXBGEB-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCOc1cc(C=O)c([N+](=O)[O-])cc1B(O)O	2060136912	KFRPMOCKFMHQAW-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3COC[C@@H]32)c1B(O)O	2077840701	CVDUEHKKNFAVMG-ZJUUUORDSA-N	248.091	-0.705	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1(C)COC1	2211838728	KRWWWPNYWRBWJU-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
COCC1CN(CC2(C(=O)NN)CCC2)C1	2212267849	YFMHBQNFZIHDIP-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C=C1CC(CN=c2ccc(B(O)O)c[nH]2)C1	2212604684	YRMVPCXBQDZFGP-UHFFFAOYSA-N	218.065	-0.439	50	10	BBGE	
CC[C@H](CCN)Oc1ncccc1B(O)O	2212606389	STXAWHLYQRZYEE-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]32)nc1	2212615157	KNIDHTCVWPHCBD-UJNFCWOMSA-N	218.065	-0.028	50	10	BBGE	
Cc1cccc(=O)n1Cc1cscc1B(O)O	2214601813	HAPXUJXSUIGPIT-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1[C@H]2CC[C@H]1COC2	2215772043	LOZXHCZKWIXBGP-NAKRPEOUSA-N	239.319	-0.134	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@@H]1CC[C@H]1C(=O)NN	2215772094	LUUTXXPHNNHTBS-DTWKUNHWSA-N	242.323	-0.802	50	10	BBGE	
OB(O)c1ccnc(-n2cc(C3CC3)cn2)c1	2217169987	MTAADUBDPNTWSB-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
CNCCCCN(C)c1ccc(B(O)O)cn1	2217175712	MNNHRCBSNUFASJ-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
C#CCN(CC=C)c1cc(B(O)O)c(C)cn1	2217182742	GPSALMRCSGEPHY-UHFFFAOYSA-N	230.076	-0.305	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)[C@@H]1CCCN1	2217184504	PHHGFGAAVZKKRJ-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
Cc1cnc(N[C@H]2CO[C@@H](C)C2)cc1B(O)O	2217184769	RMOSOHDGAYMQNV-DTWKUNHWSA-N	236.080	-0.341	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)nc1	2223632124	GAIOZEXAUAUPDO-URLYPYJESA-N	247.107	-0.544	50	10	BBGE	
CN(C)C[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C1	2223637826	HMYIXAVBVZHWSF-HOMQSWHASA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cnc(NC2CC3(CCOC3)C2)nc1	2223650305	LDDBYXNZWZLWGE-UHFFFAOYSA-N	249.079	-0.863	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Nc1cc(B(O)O)c(C)cn1	2223653965	WLDXDYAAODTOER-WDEREUQCSA-N	249.123	-0.378	50	10	BBGE	
OCc1ccc(Oc2ncc(B(O)O)cn2)cc1	2223656529	OHPWHZDABLXGQO-UHFFFAOYSA-N	246.031	-0.559	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCNC23CC3)c1	2223668842	BYESZMQYWINZNF-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCCNC[C@H]2C3)c1	2223671308	JWOAJWTXRMFBNW-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N2CCN3CCC2CC3)c1	2223676355	ABXXMMGKVCGYBL-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1cc(B(O)O)ccn1	2223676846	GQZWZSBAHUJBEV-UMNHJUIQSA-N	248.091	-0.889	50	10	BBGE	
N#CCNC(=O)C(=O)N[C@H]1C[C@H](Cl)C1	2241653798	MQHVDTVIXHMGLV-IZLXSQMJSA-N	215.640	-0.488	50	10	BBGE	
C[C@H](CN(C)CC1COC1)C(=O)NN	2241661525	GZKCAVWJVPTIII-SSDOTTSWSA-N	201.270	-0.809	50	10	BBGE	
CN1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2243348541	ZGPNDQLEMAOCDU-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363667	KGZFNQYMRGAHJY-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381298	FCFGJEFNWRDOLM-HXFLIBJXSA-N	227.069	-0.467	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NC(=O)C1CC(B(O)O)C1	2243397357	ZNZJHHCMKMKYDH-UVRWEMPVSA-N	227.069	-0.875	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)ccc1OC	2243398888	UVWZDLZMCIRIQL-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
CP1(=O)CCC(NC(=O)C#CB(O)O)CC1	2243400640	FOKDOOSKPTZDOD-UHFFFAOYSA-N	243.008	-0.727	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243404805	UUNVVPUCFQOXAT-XHNCKOQMSA-N	227.069	-0.610	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@]1(C)CC)B(O)O	2243413111	ZTLVRFKSPQMIOP-BDAKNGLRSA-N	247.125	-0.337	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1sncc1B(O)O	2243415212	QGKGSKUECFJEDH-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
COCCOC(=O)N1CCC(B(O)O)CC1	2244168633	JGDREGNZJKOGQI-UHFFFAOYSA-N	231.057	-0.292	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1cocc1B(O)O	2244219465	LXHNRYUULBICSO-IZLXSQMJSA-N	243.455	-0.541	50	10	BBGE	
O=C(NCCC#CB(O)O)N[C@@H]1CCSC1	2244535669	ZZMPRFKMKCQXAM-MRVPVSSYSA-N	242.109	-0.803	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H]1NCC[C@H]1C	2245103454	KMKSWAYDGQINGJ-APPZFPTMSA-N	245.348	-0.115	50	10	BBGE	
O=C(NCc1cccnn1)C1(B(O)O)CCC1	2247721934	IZWPAYGOXUGSMV-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)C2(B(O)O)CCC2)CCN1C	2247732263	DWPJJBAPBUKFCX-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@]12CCCN(C(=O)C#CB(O)O)[C@H]1COC2	2247741171	VVIHQWMMSIPCER-ONGXEEELSA-N	237.064	-0.971	50	10	BBGE	
O=C(NCC1=CCCC1)c1ccc(B(O)O)o1	2247743732	IJARKNABKFZDFQ-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ccoc1B(O)O	2247746635	BKWZMEPJBMABGR-CBAPKCEASA-N	237.064	-0.170	50	10	BBGE	
C[C@@]1(C(F)F)CC(=O)N(C(=O)C#CB(O)O)C1	2247747549	PBMLYCYWKSZYIR-SECBINFHSA-N	244.990	-0.968	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2247747729	RQWGJXOMLZIVTJ-UHFFFAOYSA-N	238.052	-0.749	50	10	BBGE	
CC(C)OCCNC(=O)c1occc1B(O)O	2247756237	RZJUSCQIYHLGCX-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1ccc(B(O)O)cc1	2247771607	MXKHAJOWUAEEMX-SSDOTTSWSA-N	233.032	-0.873	50	10	BBGE	
CCC(C)(C)N(C)C(=O)c1c[nH]nc1B(O)O	2247782186	RGRPZJHEGDMJJD-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1C(=O)C1CC(B(O)O)C1	2247790524	HWEDUJZQXVQLAP-SEZDTBSWSA-N	240.112	-0.422	50	10	BBGE	
CN1CCC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247805703	KQQXPTWGINLKBO-KXUCPTDWSA-N	240.112	-0.693	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncon1	2247806089	DKQNOBPPKDJDPR-ACZMJKKPSA-N	239.040	-0.500	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncon1	2247806090	DKQNOBPPKDJDPR-FSDSQADBSA-N	239.040	-0.500	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247807468	IHVCNSZDARFQBO-KATARQTJSA-N	238.096	-0.988	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H]2[C@H]1C2(F)F	2247851069	CLRBWWRTCVEQQD-OOZYFLPDSA-N	243.018	-0.591	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)C[C@H]1CN	2247857962	ZTUMJHWMCMMVBY-YUMQZZPRSA-N	240.112	-0.517	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](C)C2)oc1B(O)O	2247860410	WSIBSNOPUPCZIT-SSDOTTSWSA-N	237.064	-0.250	50	10	BBGE	
CCCN(CC)C(=O)c1cc(B(O)O)cn1C	2247867882	AARZUBPUMYZPTP-UHFFFAOYSA-N	238.096	-0.423	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CC[C@H]21	2247868412	FZRUFORXHFDYFG-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)C1(B(O)O)CC1	2247877544	HZMQGPKODPPURQ-IWSPIJDZSA-N	238.096	-0.668	50	10	BBGE	
N[C@@H]1CC[C@H](CCNC(=O)C2(B(O)O)CC2)C1	2247880343	ZIIOZRTVZFAVFO-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247897269	PYHQCDPEVZYQNU-ZOZBQHSOSA-N	241.096	-0.126	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)N1CCC1	2247905229	SKUQCKYSGXEOQK-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](CF)NC(=O)c1cc(B(O)O)ccc1O	2248032996	OYQCZCBSEXCRQC-ZCFIWIBFSA-N	241.027	-0.840	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H](C)CC(=O)O	2248575875	CSFNCBBPNWFASZ-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1cocc1B(O)O	2249406742	HPXYDLGSWFXJDS-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
C=CCN(CC=C)C(=O)c1cocc1B(O)O	2249424107	OHIUIRMYPDTFTN-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249426801	ADYYQMVKBAPMGJ-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2249595094	OWFVQWHUHHMVMJ-BTUZGRHBSA-N	239.080	-0.921	50	10	BBGE	
CC1(OC[C@@H]2CCC[C@@H](C(=O)NN)O2)COC1	2250802086	CEAAFQBNRSWGHZ-IUCAKERBSA-N	244.291	-0.281	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2251079631	VKQJXNBEWQKWLD-MBTKJCJQSA-N	235.096	-0.718	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ccncc2B(O)O)C1	2255454246	VVMBTCUADNBCDX-IUCAKERBSA-N	248.091	-0.320	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1ccoc1B(O)O	2255460685	XBGHMRDOYVYXJA-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1cc(B(O)O)c[nH]1	2255463124	FESZQQHGVHILRD-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Nc1ccc2c(c1)CCN(C(=O)C#CB(O)O)C2	2255463739	MSIKIQJXCGSOEU-UHFFFAOYSA-N	244.059	-0.831	50	10	BBGE	
Cc1coc(NC(=O)c2ncccc2B(O)O)n1	2255520580	MBFQMQHOSPAOAW-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)c(OC)c1	2255554889	SSKSWRHDXPBCRC-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)oc1B(O)O	2255572999	FXSPVBVJZYDBBK-BDAKNGLRSA-N	249.075	-0.108	50	10	BBGE	
CC(C)N(Cc1cnn(C)c1)C(=O)C#CB(O)O	2255671202	NWUCXYCJBCIIMF-UHFFFAOYSA-N	249.079	-0.828	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@@H]21	2255680153	KVCLBFBOQINHRR-IUCAKERBSA-N	248.091	-0.578	50	10	BBGE	
O=C(NC1CCCCC1)c1ncncc1B(O)O	2255730802	UIWVOYSWQQMLSW-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@H]3C2(C)C)ncc1B(O)O	2257069711	CBDVTNMENARQNE-BDAKNGLRSA-N	247.107	-0.300	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H]3C2(C)C)c1B(O)O	2257070728	JSUBFXVKJOVAKN-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
NC[C@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2259938039	GNHRMQWAGCHIDE-AAEUAGOBSA-N	246.119	-0.853	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369277	PEKXMADJBRAOQP-RGOKHQFPSA-N	240.112	-0.422	50	10	BBGE	
C#C[C@H]1CCN1c1ccc(B(O)O)cc1C#N	2301345020	ASSPHFUGZUJOPB-NSHDSACASA-N	226.044	-0.550	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2(CC[C@H]2O)C1	2302049850	LGUZCJDMSHNLNZ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC(C)NC(=O)CCN1CC[C@](C)(B(O)O)C1	2303097898	RXUAKGYXOGQTKX-NSHDSACASA-N	242.128	-0.160	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	2303425771	GSQWHQUGMCBOKY-DNRKLUKYSA-N	241.335	-0.152	50	10	BBGE	
CC[C@](C)(CN1CCCOCC1=O)C(=O)NN	2303448390	YLHZIFFFAPOALE-LLVKDONJSA-N	243.307	-0.359	50	10	BBGE	
C[C@@H]1[C@@H](Nc2cc(B(O)O)c(F)cn2)C1(F)F	2303837168	WTGNJHBDCQLDFI-SPGJFGJESA-N	245.997	-0.034	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@@H]3CCOC[C@@H]32)nc1	2312614282	GDCTXQSYSNKWKF-DCAQKATOSA-N	248.091	-0.544	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(CCO)C1	2317168509	VRDLMZCVNZYQKJ-UHFFFAOYSA-N	246.075	-0.943	50	10	BBGE	
N[C@@H]1CC[C@H]1COc1ccc(C=O)c(B(O)O)c1	2317310541	BQOBFEPJMPDXTA-JOYOIKCWSA-N	249.075	-0.705	50	10	BBGE	
N[C@H]1CC[C@@H]1COc1ccc(C=O)c(B(O)O)c1	2317310542	BQOBFEPJMPDXTA-SKDRFNHKSA-N	249.075	-0.705	50	10	BBGE	
N#CC1(F)CN(Cc2cncc(C(=O)NN)c2)C1	2317315971	HXIAKTJOTYOEDZ-UHFFFAOYSA-N	249.249	-0.267	50	10	BBGE	
CCC#CC(=O)NCCc1ccc(B(O)O)cc1	2319292998	LLKIENLABPQMQD-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
NNC(=O)CN1CCc2ccccc2C1=O	70545412	YIPFHAXVHDNBTK-UHFFFAOYSA-N	219.244	-0.325	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@H](C)C1	82466161	AHGBLESOJLGYGS-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H]1CN([C@@H](C)C(=O)NN)CCN1C	82485334	QRKVRFKEWANQBT-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCNCC1	86313621	NCIZCRVIKOSMLA-RKDXNWHRSA-N	214.313	-0.704	50	10	BBGE	
C[C@H]1CN2CCC[C@@H]2CN1CCCC(=O)NN	94468113	TZTZYBHDNFRSHD-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
Cc1nc(C)n(Cc2cc(C(=O)NN)no2)n1	104105060	LWFBUOFQFUIMSU-UHFFFAOYSA-N	236.235	-0.465	50	10	BBGE	
CCN(CCOC)C[C@H]1CC[C@H](C(=O)NN)O1	104121591	TVGDHHCARWPGPL-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCCNCC1	112635175	KQYUCUCUOXAQRH-UHFFFAOYSA-N	238.291	-0.322	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NOCC(N)=O	160363341	VLHXTYZSUFRUAX-RXMQYKEDSA-N	244.700	-0.802	50	10	BBGE	
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)B(O)O	169973948	XFBLCWMXGZNGPY-WPRPVWTQSA-N	236.080	-0.927	50	10	BBGE	
C[C@H](CN1CCO[C@@H]2CCC[C@@H]21)C(=O)NN	223102583	NIVGKAREABITNN-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
COCC[C@@H](C)Oc1cncc(B(O)O)c1	225617742	YPWCGMFFLQFIQL-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
COC[C@@H](CO)NC(=O)[C@H](C)CCl	229036876	AMECHYCPOCXGBF-RNFRBKRXSA-N	209.673	-0.015	50	10	BBGE	
CN1CC[C@H](NS(=O)(=O)CCCl)C1=O	230278429	CCRNAKHJFGAYKA-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
CO[C@H]1CCN(CC(C)(C)C(=O)NN)C1	234793734	SDUZXVODSWQOCP-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CSSCCNC(=O)CC(N)=O	285652001	JEFZEYLEGUCYPA-UHFFFAOYSA-N	208.308	-0.011	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@H]1CO	299908155	IINYEPSVQJAEAU-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
Cn1nnnc1N1CCOC[C@H](Cl)C1	306967853	NPDCRMAPZBOPAS-ZCFIWIBFSA-N	217.660	-0.346	50	10	BBGE	
COC[C@@]1(C)CCN([C@@H](C)C(=O)NN)C1	381400527	VDGXBDMWDBAXKU-WPRPVWTQSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1CCO	388728513	YKGMUDPPXYVBQO-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@]1(C)CN	389744066	WUHXUIMQVXHJGA-WPRPVWTQSA-N	214.313	-0.717	50	10	BBGE	
COC(=O)CCc1cc(O)ccc1B(O)O	396065033	ZQKWOVVNWXMVIH-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
CC(C)(CN1C2COCC1COC2)C(=O)NN	399938607	SUIQCARDQNAQOC-UHFFFAOYSA-N	243.307	-0.898	50	10	BBGE	
CN1CCC[C@H](NCc2ccccc2B(O)O)C1	585017923	CIHQVLZYEOGJAH-LBPRGKRZSA-N	248.135	-0.450	50	10	BBGE	
CC(C)C[C@H](SCC(N)=O)C(=O)NN	695116921	HSIYYGPAFQIQMA-LURJTMIESA-N	219.310	-0.391	50	10	BBGE	
Cc1n[nH]c(C)c1CC(=O)NNC(N)=S	700873022	KLOZPOIRIQMLKE-UHFFFAOYSA-N	227.293	-0.567	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](CO)[C@H](CO)C1	704720252	UMPWJAOEBDZACS-CIUDSAMLSA-N	218.684	-0.350	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H]3C[C@H]32)on1	706977057	YMMCDFJYEXYLQM-HZGVNTEJSA-N	222.248	-0.128	50	10	BBGE	
CC(C)(C)[C@@H]1CN(CC(=O)NN)CCO1	708974241	BOCNMWNMOAADRV-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
Cc1nn(C)cc1CN(C)[C@@H](C)C(=O)NN	716414282	SIHIJXRRAGMHPA-QMMMGPOBSA-N	225.296	-0.461	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@]1(C)CO	723012470	MKPDNFDIPLMDEL-LLVKDONJSA-N	243.307	-0.609	50	10	BBGE	
CN(CCCF)Cc1nsc(C(=O)NN)n1	724349127	IQAUPNIYBALGKU-UHFFFAOYSA-N	247.299	-0.067	50	10	BBGE	
O=C(CBr)NCC1=NCN=C1	725668476	MYTMVKXNKWQVII-UHFFFAOYSA-N	218.054	-0.020	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NCc1cnn(C)n1	804602221	ZYDXAJDLMSPYOS-YVMONPNESA-N	235.247	-0.125	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccncc2)nn1	809538690	QXMVSJYTPLOHHU-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCCO2)CCOC1	817214201	BGAGIPJCRUGWEW-LDYMZIIASA-N	242.275	-0.261	50	10	BBGE	
CCOC(=O)C1=CC[C@H](NC(=O)NN)C1	861678959	MVGJGKYSRPLIRA-ZETCQYMHSA-N	213.237	-0.189	50	10	BBGE	
OB(O)c1cscc1CN1CCO[C@H]2C[C@@H]21	1231954007	ORGGDFVYWHXJKQ-UWVGGRQHSA-N	239.105	-0.599	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc2ncnn12	1337728683	WTWVIZMWLVYICR-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
O=C(CCCc1nn[nH]n1)NNc1ncccn1	1540750919	GXPUJXSOTRTRCG-UHFFFAOYSA-N	248.250	-0.544	50	10	BBGE	
O=C(NNc1cccnn1)c1cccc[n+]1[O-]	1631347243	NNWGQNKOWCVQKK-UHFFFAOYSA-N	231.215	-0.133	50	10	BBGE	
COC(=O)NNC(=O)c1ccnc(O)c1	1648397119	OBPXNGLTBRSRMS-UHFFFAOYSA-N	211.177	-0.212	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cc[nH]n2)c1=O	1654393762	MJHSTFLANKJJPS-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
NNC(=O)NC[C@H]1C[C@@H]1Br	1880107809	PUDINEIYHMKWHC-DMTCNVIQSA-N	208.059	-0.057	50	10	BBGE	
O=C1NC[C@@]2(CCN(C(=O)CCl)C2)N1	1884974813	DCEALOSHONNDRJ-MRVPVSSYSA-N	217.656	-0.491	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]1CF	1886121494	CRZZAMNUJWTXBK-YFKPBYRVSA-N	211.187	-0.345	50	10	BBGE	
CNNC(=O)[C@H](C1CC1)S(C)(=O)=O	1886834043	FLSAQEHDSBOBJF-LURJTMIESA-N	206.267	-0.940	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@@H]1F)C(=O)NN	1887510051	YQZVSAQLBLZZOG-CSMHCCOUSA-N	203.261	-0.098	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1887702679	BBGXAVYNFYTCHS-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1CCCO1	1888053878	BCPRMXQFDJLVMW-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
C[C@@H](COC1CCOCC1)C(=O)NN	1888714871	UZEGACLMSZUGCZ-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
O=C(CC(F)F)N1CC[C@H](B(O)O)C1	1891516525	IHCRJGVDDJXAFU-YFKPBYRVSA-N	206.985	-0.283	50	10	BBGE	
NC(=O)CCCNC(=O)/C=C/C(=O)Cl	1893497703	KCWSPFYJAHNBEE-ONEGZZNKSA-N	218.640	-0.310	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2COCC[C@@H]21	1896894031	HFWCQAKTQBIFBP-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CCCCCCC(=O)NN	1900665113	OCMBGGCLLMJIFT-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)C1(B(O)O)CC1	1902101915	LSESXRJXGHLSRR-MRVPVSSYSA-N	229.085	-0.531	50	10	BBGE	
CC[C@@H](COC)OCc1nc(B(O)O)cs1	1902655168	ZZFNYGMTZCZWKU-ZETCQYMHSA-N	245.109	-0.236	50	10	BBGE	
COc1cnn(Cc2nc(B(O)O)cs2)c1	1902657400	WWAMDUSMJCERHT-UHFFFAOYSA-N	239.065	-0.924	50	10	BBGE	
NNC(=O)CN1CCC[C@H](O)[C@H]1C(F)(F)F	1903052556	ZAIPIKGSUZAVDH-FSPLSTOPSA-N	241.213	-0.636	50	10	BBGE	
CS[C@H]1CC[C@@H]1Oc1ncc(B(O)O)cn1	1904989259	SZOGQXZNTITITL-YUMQZZPRSA-N	240.093	-0.571	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CCO1	1905585125	ZHIDZLQODMLPHQ-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
N#CC1=CCN(C(=O)C2=C[C@H](O)[C@H](N)C2)CC1	1908921179	YVKDITUUPKGFEM-MNOVXSKESA-N	233.271	-0.313	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCC[C@@H]21	1928179588	RKNIVKYKGHYYTB-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](F)[C@H](O)C1	1929909161	GJVJHFIMTGQFQL-XLPZGREQSA-N	219.260	-0.840	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@H](O)CCl)C2=O	1932150170	JKZXJVLTUKJGNV-JHEQGTHGSA-N	217.652	-0.019	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NCB(O)O	1935270732	GOSHXALOIWRJLC-UHFFFAOYSA-N	211.030	-0.725	50	10	BBGE	
CON(C)CCOc1cccc(B(O)O)c1	1937141452	SOHDDIADROBAMP-UHFFFAOYSA-N	225.053	-0.762	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)Cn2ccnc2)C1	1937195161	XUWKACAZMOFYTI-DTWKUNHWSA-N	242.710	-0.079	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCc1ncccn1	1937462473	ISJAPUFEZNCFJP-QMMMGPOBSA-N	223.280	-0.671	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1CO	1938248341	FCAQMCFUZNWYBM-DTWKUNHWSA-N	227.308	-0.683	50	10	BBGE	
COC[C@@]1(OC)CCCN(CC(=O)NN)C1	1938621317	PFAKDIJXXUPGMV-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
CCOC1CCN(CCOCC(=O)NN)CC1	1941784780	VYTLUWUOSQCPLF-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCn1ccnc1	1944474478	ALQPRWCBEHYTJP-VHSXEESVSA-N	239.323	-0.171	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COCC[C@@H]32)CC1	1945884069	KWJMIJFFYUGYQP-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951019245	RKRBCVFXMIVRIL-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)CCO1	1954820454	IIDISCDOLGRSQZ-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
CCCSc1nc(C)ncc1B(O)O	1956966386	UNCXQJXWCMYKEB-UHFFFAOYSA-N	212.083	-0.033	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC2(CC2)C1	1960945235	SXBLUFKZOLQZSD-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CC(C)(CN1CC2(CCO2)C1)C(=O)NN	1961521630	XHTQGUWBEFMQAO-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
Cc1cc(N2CC(F)C2)ncc1B(O)O	1961719117	YNEBMGYPMXWEAK-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961917161	SLHDSYSKXRAEMB-CHHOWFRJSA-N	230.695	-0.067	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](N)C[C@@H](C(N)=O)C1	1962267630	NDQPIZXWMRMNRM-CSMHCCOUSA-N	230.699	-0.748	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cnn(C)n1	1974772643	OHSUCYGRKNBYIQ-ZCFIWIBFSA-N	248.695	-0.666	50	10	BBGE	
NNC(=O)C(=O)N(C[C@@H]1CCOC1)C1CC1	1980761278	HIILPEQUFPCTTJ-ZETCQYMHSA-N	227.264	-0.996	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCN2CCC(=O)NN)C1	1980963901	HCYQTOVBMBSMFB-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
OB(O)c1cnccc1N1CC2CC(C2)C1	1981408569	CAJDTGJXEUICSN-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](CO)CC(C)(C)C1	1981411965	PXROENWKOHEDGW-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@H]2C[C@@H]2C)n1	1981531621	YJXRNDSSESXPBK-XVKPBYJWSA-N	220.081	-0.086	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C=CCC1	1984101060	GPDBCXVQGALZKD-VIFPVBQESA-N	219.049	-0.506	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1occc1C(=O)NN	1985742300	LPKJGWHGGDQCHM-XPUUQOCRSA-N	225.248	-0.552	50	10	BBGE	
NNC(=O)CCCCOCCn1cncn1	1986445916	PKNUBSUYZPKBDH-UHFFFAOYSA-N	227.268	-0.545	50	10	BBGE	
CC(F)(F)C1(Cn2cc(B(O)O)cn2)CC1	1989200821	JWBTTZCZRVJGJE-UHFFFAOYSA-N	230.023	-0.002	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCSC1	1990775604	XTCBVLCNMONWPU-SECBINFHSA-N	245.348	-0.161	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H](C)C(F)F	1990776180	HBGZYXVFZMHNTA-ZCFIWIBFSA-N	237.250	-0.013	50	10	BBGE	
COC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1Cl	1991678586	GMVVGQIUROOYTR-ZLUOBGJFSA-N	249.650	-0.254	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@H]1[C@@H](O)CO	1991684548	DYRKRCYKDWFDTB-XGEHTFHBSA-N	249.694	-0.806	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2ncsc2C1	1993516643	ZXOPVZPPWDARFZ-UHFFFAOYSA-N	240.288	-0.374	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOCCOCC1	1997203194	MFMZTCAOJUNOJZ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
Cc1cc(O[C@@H]2COC[C@@H]2C)ncc1B(O)O	2004935243	MCUMIVFQYILRES-WCBMZHEXSA-N	237.064	-0.516	50	10	BBGE	
CN(C)CCCOCc1ccccc1B(O)O	2007020342	NFYPILBSRBGKED-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@H](C(=O)NN)C2)C1=O	2010832216	GMERVILDPDUFST-IUCAKERBSA-N	240.307	-0.240	50	10	BBGE	
COC[C@](C)(CN(C)[C@@H](C)CC(=O)NN)OC	2021121176	KHPOEDZEXAPOQE-ONGXEEELSA-N	247.339	-0.262	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NCC#CB(O)O)C1	2021157409	LRKKPZGURWMCPJ-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1ccncc1B(O)O	2025753915	RGFWXWJAZBPUBJ-GZMMTYOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c1B(O)O	2052472033	PNFORDZYPVXFQN-ZNSHCXBVSA-N	244.103	-0.086	50	10	BBGE	
N#Cc1c([N+](=O)[O-])ccc(Cl)c1B(O)O	2060105517	DOFKWNWMGQHFCN-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2C[C@@H]21	2079008898	CNPWBRIODRSSCX-CPCISQLKSA-N	249.050	-0.260	50	10	BBGE	
C[S@](=O)Nc1ccc(Cl)c(B(O)O)n1	2210098417	DZRTZDNBKCCQSY-AWEZNQCLSA-N	234.473	-0.880	50	10	BBGE	
CSC[C@H](C)N(C)c1cc(B(O)O)ccn1	2212601479	OOCSVUJRGZUGLV-QMMMGPOBSA-N	240.137	-0.051	50	10	BBGE	
COC1(CNc2ccc(B(O)O)cn2)CC1	2212606784	ZYSYTDDDFKMXOU-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@H](O)C[C@H]2C1	2213027179	FWJMJHFIGXYNAU-ZKKRXERASA-N	239.319	-0.685	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1cccc(B(O)O)n1	2214997213	WXXHDMCPFMQALU-YUMQZZPRSA-N	234.064	-0.254	50	10	BBGE	
CCN(CC(=O)NC)C[C@H]1CC[C@H]1C(=O)NN	2215771670	JKDXBHYAGKFGTA-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)CC1(CO)CC1	2215772110	LYWRYYDMULKISQ-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@]2(CCO2)C1	2215778125	XLLSFVUMIARGRO-FOGDFJRCSA-N	239.319	-0.133	50	10	BBGE	
CO[C@H](C)COCC1(C(=O)NN)CCOCC1	2216854749	MGGMJDRZGUDZDQ-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
C[C@@]1(Nc2nccc(B(O)O)c2F)CCOC1	2217180638	VKNQKOQCFHXYCA-SNVBAGLBSA-N	240.043	-0.509	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNc1ncccc1B(O)O	2217183327	HKABZSWVSYXAIE-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N(C)C(C)(C)CO)cc1B(O)O	2217184298	RSISVIQWAKFIFH-UHFFFAOYSA-N	238.096	-0.723	50	10	BBGE	
CC1(C)C[C@@H](Oc2ncccc2B(O)O)CN1	2217185985	FARJXUPALCHIDF-MRVPVSSYSA-N	236.080	-0.719	50	10	BBGE	
OCC[C@H]1CCCN1c1cc(B(O)O)ccn1	2217205375	XZTOOHKRTKWBBI-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
C=C[C@H]1CN(c2cc(B(O)O)c(C)cn2)CCO1	2223650130	IOAVHOCMACHEEB-JTQLQIEISA-N	248.091	-0.539	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COCC[C@@H]32)cc1B(O)O	2223652033	FVPJEANACXEWLR-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
CN(CCn1cccc1)c1cc(B(O)O)ccn1	2223676741	FKRHXCYOVMEYQZ-UHFFFAOYSA-N	245.091	-0.301	50	10	BBGE	
CCN(C)C(=O)c1ccc(B(O)O)s1	2241468293	KXJNQPMTNMENIG-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
CS(C)(=O)=NC(=O)[C@H]1C[C@H]1B(O)O	2241496730	VWWCUWICERHTHH-CRCLSJGQSA-N	205.044	-0.897	50	10	BBGE	
O=C(Nc1ncccn1)C1(B(O)O)CCC1	2243347027	GNVMZRPEWUVVLJ-UHFFFAOYSA-N	221.025	-0.188	50	10	BBGE	
C=C(C)CONC(=O)c1coc(B(O)O)c1	2243347871	RFUFBSWAKMBTPO-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
COCCN(CC(C)C)C(=O)C#CB(O)O	2243362558	SRJSGJUNNAWJGZ-UHFFFAOYSA-N	227.069	-0.867	50	10	BBGE	
O=C(NCC1CSC1)c1occc1B(O)O	2243364581	ZGIQRERZYSKZOD-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@]1(C)CCOC1	2243365814	SNVAFOOXYSKKFT-SECBINFHSA-N	227.069	-0.369	50	10	BBGE	
O=C(Nc1ncon1)c1sccc1B(O)O	2243376101	DMFGSSFHDWYWGF-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
Cc1csc(C(=O)NCCC#N)c1B(O)O	2243377941	JSJHESYKXAMVML-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1sncc1B(O)O	2243385042	BOFRVIACHMRLKP-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
CN(C)CCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243403667	ASUJGAGTSLKANZ-KYZUINATSA-N	228.101	-0.741	50	10	BBGE	
C#CCNC(=O)c1c(B(O)O)sc(C)c1C	2243403942	GNRXOVXWDACXOA-UHFFFAOYSA-N	237.089	-0.592	50	10	BBGE	
C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2243405048	YPHBFJDVFIPQEM-UTLUCORTSA-N	221.065	-0.233	50	10	BBGE	
O=C(c1cscc1B(O)O)N1C[C@@H]2C[C@H]2C1	2243410765	HMATWJAHRQJOBR-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
O=C(N1C[C@H]2COC[C@@H]2C1)C1(B(O)O)CC1	2243411138	ONSIZBXQPZJKOM-YUMQZZPRSA-N	225.053	-0.902	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1occc1B(O)O	2243411753	ZNKHKDYFRWCYEY-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC2(CC2)C1	2243426685	KIEPDSOPAJNUIE-SFYZADRCSA-N	225.053	-0.759	50	10	BBGE	
CCCS(=O)(=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243752950	OTAVPFBBHJWBLG-LJGSYFOKSA-N	249.097	-0.905	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243753035	PRPHNYGEMLEJCU-DSYKOEDSSA-N	229.041	-0.924	50	10	BBGE	
O=C(Nc1cnsc1)c1cocc1B(O)O	2244211657	JTZASGZPMBWVHZ-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
COc1ccc(B(O)O)c(-n2cc(C)cn2)n1	2247152585	LHXSSJINJMPCID-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ccncc1B(O)O	2247723595	ULLWUTIDRUYTGT-MRVPVSSYSA-N	236.080	-0.320	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(B(O)O)oc1C	2247734624	UPDNMEIGFGKQDM-LURJTMIESA-N	239.036	-0.496	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@H]2[C@H](C1)C2(F)F	2247741146	VKEHBXPWQSRYMX-YUMQZZPRSA-N	243.018	-0.591	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247742814	UQZYUVASDNXYCX-UHFFFAOYSA-N	240.043	-0.312	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2(B(O)O)CC2)CC1	2247755782	JWLNUIVPICHUGB-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1noc(C)c1CNC(=O)C1(B(O)O)CC1	2247757308	QTOANYYAGVLRJV-UHFFFAOYSA-N	238.052	-0.085	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1c[nH]nc1B(O)O	2247782242	SKDBDKACPBLHBQ-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
Cn1cnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)c1	2247785802	QQLGAWQKOAICJN-OCAPTIKFSA-N	237.068	-0.711	50	10	BBGE	
CC[C@H](C)NC(=O)c1nn(CC)cc1B(O)O	2247791310	KZADKBWXGRAQQO-ZETCQYMHSA-N	239.084	-0.889	50	10	BBGE	
O=C(NC[C@H](F)[C@@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2247793254	WSPBGUMALKYYHK-BGZDPUMWSA-N	245.059	-0.660	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)C1CC(B(O)O)C1	2247796653	BRXNNQKERGUWLF-AMUVOQDHSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247798424	TZGJDAFOFNSASW-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC12CC2	2247798651	WCMHKZQDNXYNKB-DTWKUNHWSA-N	238.096	-0.844	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCNCC1	2247806810	GIGCEOGWZNNMCO-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@]2(CO)C1	2247807020	GXZACXOFGZDNPS-JIIGURBLSA-N	239.080	-0.920	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(CCCO)C1CC1	2247810240	VUOQFBMUCFXNAQ-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
CCOC1CC(CN(C)C(=O)C#CB(O)O)C1	2247848120	HLGOAUYLLHTLQN-UHFFFAOYSA-N	239.080	-0.725	50	10	BBGE	
COc1ncc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247858153	BCBOBELWIMWATH-RQJHMYQMSA-N	237.024	-0.713	50	10	BBGE	
C[C@H]1CN(C(=O)c2occc2B(O)O)C[C@@H]1F	2247875054	RYQKNVJOWMIZDC-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896994	MRUFJNMHKNYEBU-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCOCC1	2247897693	WCTPQNLNVNCSQY-DTWKUNHWSA-N	241.096	-0.218	50	10	BBGE	
O=C(NOCCF)Nc1ccccc1B(O)O	2247975513	NFRVZNYSIDOXEE-UHFFFAOYSA-N	242.015	-0.611	50	10	BBGE	
C#CCC(=O)N(C)Cc1ccc(B(O)O)cc1	2248395086	GXTVHVAOVQGLQT-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248476830	WVOWUJSYQDMVAH-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)CC(=O)O	2248594605	YCPBZQAJICNLIR-KKMMWDRVSA-N	243.068	-0.534	50	10	BBGE	
CN(Cc1ccnnc1)C[C@H]1C[C@@H]1C(=O)NN	2251563320	UIFZFEHNNYITEQ-ZJUUUORDSA-N	235.291	-0.466	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1CC[C@@H]2C[C@H]21	2255466899	GEFDDECHYBYPFB-IWSPIJDZSA-N	249.075	-0.170	50	10	BBGE	
C[C@H](O)CC(=O)N1CCc2cccc(B(O)O)c21	2256677342	WKWOGFHVTKJBPI-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CN1C	2298369850	HKUVDOMVABSFOF-SGIHWFKDSA-N	240.112	-0.600	50	10	BBGE	
CC1(C)CCNC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298370092	OGPGLTDZRZNOEL-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]12	2298376518	ZVZMXMRXXAHQGY-CVPUBMOQSA-N	238.096	-0.955	50	10	BBGE	
CC[C@@H]([C@@H]1CCCCO1)N(C)C(=O)C(=O)NN	2300298340	IPZAGASIMVHTLG-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
C[C@H](N)[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2301341967	VANNDINBBJJOTF-JGVFFNPUSA-N	234.064	-0.647	50	10	BBGE	
N[C@H]1C[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2301452833	MVDYAFJOBANBMZ-CZMCAQCFSA-N	235.048	-0.953	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnc(O)[nH]2)C1	2303112776	VMJRPOPEOYGKJC-VIFPVBQESA-N	239.040	-0.806	50	10	BBGE	
C[C@@H]1NC[C@@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305443892	RCKNWDJYONRDBX-GZMMTYOYSA-N	239.275	-0.848	50	10	BBGE	
CN(CC(=O)NN)Cc1cn2cccnc2n1	2306858199	FSDUPPPSJLIXIM-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3C[C@H]2CO3)cc1B(O)O	2317347986	GKPUVGZHLYAQEM-WDEREUQCSA-N	247.059	-0.844	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]1[C@@H](O)C2	2325332733	SXNCHUMWUOWKOB-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
Cc1ncc(OCC2=CCCOC2)cc1B(O)O	2328299242	LYASKGLZJBANAI-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cccc(F)c1	49533219	MXBBUSCKEHKLMZ-ZCFIWIBFSA-N	225.223	-0.007	50	10	BBGE	
Cn1nnnc1S(=O)(=O)CCCl	62939355	PASMOBIDXQLEOT-UHFFFAOYSA-N	210.646	-0.777	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](N(C)C)C1	86313522	XEXSGAVUJJZTAP-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
CNCCCN(C)[C@H](C)[C@@H](C)C(=O)NN	87472910	VWURINZXMXVAKJ-RKDXNWHRSA-N	216.329	-0.458	50	10	BBGE	
CCN(CCCO)[C@@H](C)CCC(=O)NN	124936466	GGFVIRPYKAAROV-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CS(=O)(=O)CCN1CCOC[C@@H]1CCl	159380719	KDPWPEMSXLJJBT-QMMMGPOBSA-N	241.740	-0.029	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)[C@@H](C)C(=O)NN	161677707	MBIHZBTYRGNRPW-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
CC(C)[C@H](N)C(=S)N1CCC[C@@H]1B(O)O	210105607	SBBQYCLBXQJVIG-SFYZADRCSA-N	230.142	-0.227	50	10	BBGE	
OB(O)c1cc(F)cc(O[C@H]2CCOC2)c1	211814247	OXZVBCFMTZFTOD-VIFPVBQESA-N	226.012	-0.327	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]2(O)CCCC[C@@H]2C1	220371302	KVWMOXBAXHIEMX-UMNHJUIQSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C)N(C)[C@@H](COC)C(=O)NN	232419070	IDURBJNDLAEUEW-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
CCOC(=O)c1cc(F)c(B(O)O)cn1	238257188	IUUXZBRRHPTJGD-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
Cc1cn(CCN=C=S)c(=O)[nH]c1=O	238492136	IJXMOGOJKNMFHR-UHFFFAOYSA-N	211.246	-0.052	50	10	BBGE	
NNC(=O)CO/N=C(/N)c1ccccc1	238657940	GOHWINYQXSDJPM-UHFFFAOYSA-N	208.221	-0.687	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(O)CCCC[C@H]2C1	251545185	KVWMOXBAXHIEMX-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1CCN(C)C1	252610484	UTDRDQXICBNDME-DCAQKATOSA-N	242.367	-0.116	50	10	BBGE	
CCOC(=O)/C(C#N)=C\N[C@H]1CCN(C)C1=O	255638204	JPZCDCUXFBITNF-FUOZMLNRSA-N	237.259	-0.223	50	10	BBGE	
CC[C@H]1CN([C@H](COC)C(=O)NN)CCO1	299993605	BSRYAAVPOMTJNL-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
COC[C@H](O[C@@H]1CCC[C@H](OC)C1)C(=O)NN	300018407	GJCYKPGMIZDNHU-AEJSXWLSSA-N	246.307	-0.035	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNC(N)=S	300931314	CYTBDCGEMXJEQQ-NTSWFWBYSA-N	217.294	-0.477	50	10	BBGE	
NNC(=O)CN1C(=O)C[C@@H]2CCCC[C@H]21	308874814	CRRNZNDSYKNGBX-JGVFFNPUSA-N	211.265	-0.233	50	10	BBGE	
COCC[C@]1(C(=O)NN)CCN(C(C)=O)C1	309086395	NLYKYFBMXKUYNO-SNVBAGLBSA-N	229.280	-0.749	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H](C)Cl	379394786	YDIYWCCHEVPLTE-ZCFIWIBFSA-N	202.641	-0.521	50	10	BBGE	
N=C(S)SCCC(=O)NNC(=O)CN	379592870	ZQRUXDCUMXNHBQ-UHFFFAOYSA-N	236.322	-0.920	50	10	BBGE	
C[C@@H]1OCCN(CCCC(=O)NN)[C@H]1C	380342880	OWEAZFHHMHDPPA-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@@H](C)N[C@H](C)C(=O)NNC(C)=O	389898388	BKLLJQSGXHTLGA-RNFRBKRXSA-N	217.269	-0.833	50	10	BBGE	
C[C@H]1C(=O)NCCN1[C@H](C(=O)NN)C(C)(C)C	395615887	PCEBPAGBSRXQNG-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CCCC(=O)NN)C1	401538176	LMBCJHUYIDNTFI-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401718394	XKCZDNPQASKEJS-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(C)cc1B(O)O	404981931	JSCALNRMFOZXPF-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)cc1F	405108377	AWKSQKMKBQVOMS-UHFFFAOYSA-N	226.016	-0.353	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@](C)(CO)C1	688028691	ZTZBBBHEIUDXCQ-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1[C@H](C)O	688641765	VACMFXOCMYNSGD-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CCOC(=O)[C@@H]1CN(C)CCN1C(=O)CCl	701690545	XTRAVYMXXJWMEB-QMMMGPOBSA-N	248.710	-0.069	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@H]1CC[C@H](C(=O)NN)O1	703551506	JTHOCNBISDFJSL-KYXWUPHJSA-N	244.291	-0.425	50	10	BBGE	
N#CC1(O)CCN([C@H]2COCC[C@H]2O)CC1	704254513	QPDHWUVALROWLX-VHSXEESVSA-N	226.276	-0.513	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@]2(C)CN(C)C[C@]2(C)C1	706290639	RQUCMFBMHUMBQU-ZMLRMANQSA-N	240.351	-0.362	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@@H](C)C(C)C	706504715	SZLDPORNTPARJR-ZETCQYMHSA-N	201.270	-0.131	50	10	BBGE	
CNNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	707543826	MIVLHTLUUBBTSR-SECBINFHSA-N	225.292	-0.114	50	10	BBGE	
CCC(=O)N1CCc2ccc(B(O)O)cc21	713034335	KHAABIWTBFYYLC-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
C[C@@H]1Oc2c(cc(F)cc2B(O)O)NC1=O	716784687	QUOMTAVGAAQTED-BYPYZUCNSA-N	224.984	-0.775	50	10	BBGE	
O=S(=O)(CCl)N[C@]12COC[C@@H]1C2	718111186	KUWLBDPARMCBRZ-NTSWFWBYSA-N	211.670	-0.109	50	10	BBGE	
CNC(=O)NCC(=O)NN=c1cc[nH]cc1C	862502699	SNNPCQOEJNGBNS-UHFFFAOYSA-N	237.263	-0.816	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NN=c1cc[nH]cc1	907256905	NWKLOURBDJBOFE-QMMMGPOBSA-N	225.248	-0.922	50	10	BBGE	
O=C1CC[C@H](CC(=O)NNC(=O)C2CC2)CN1	1290033612	JZVCLMRKWOJMTQ-SSDOTTSWSA-N	239.275	-0.540	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)[C@H]1CCOC1	1327659881	PJYSZIPQVDXMEA-QMMMGPOBSA-N	237.263	-0.043	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)Cc1ccccn1	1443728894	NJKBEGKHUHITHO-SECBINFHSA-N	235.243	-0.682	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1ncccn1	1564995874	JGDGMYWIFDPZBG-ZETCQYMHSA-N	233.231	-0.558	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccnn1	1616868534	AQXAWIOMSXUAQN-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnncc1O	1627016971	XMPLOXCQIFRWJJ-UHFFFAOYSA-N	225.208	-0.902	50	10	BBGE	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1ncon1	1636447941	NXZQPSFCWIGDFA-YFKPBYRVSA-N	242.235	-0.762	50	10	BBGE	
C#CCCCC(=O)NNC(=O)C(C)(C)C(N)=O	1639192449	UDFVHKYKKDROQQ-UHFFFAOYSA-N	239.275	-0.551	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1cc(=O)n(C)c(=O)n1C	1865766931	WKHZGDZFQJPVBN-YFKPBYRVSA-N	245.666	-0.350	50	10	BBGE	
OB(O)c1csc(C2OCCO2)c1	1880071557	AJLWBUVYUZVTOA-UHFFFAOYSA-N	200.024	-0.527	50	10	BBGE	
CC1(C)[C@@H](O)CN1S(=O)(=O)CCl	1881531069	YQAQEQPCOFDMSC-YFKPBYRVSA-N	213.686	-0.032	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CNC(=O)O1	1882701375	OSTXPLBNHJYWKP-RFZPGFLSSA-N	206.629	-0.162	50	10	BBGE	
O=C(NCC[C@@H](O)CO)[C@@H]1C[C@H]1Cl	1883637860	BKKSSTPYAFXWAH-FSDSQADBSA-N	207.657	-0.527	50	10	BBGE	
C[C@H](NC1CC(Cl)C1)C(=O)NC(N)=O	1884420233	UPZNDPYOKHNLQR-KXGSVCODSA-N	219.672	-0.071	50	10	BBGE	
CSCCNC(=O)NN(C)S(C)(=O)=O	1888554867	QYVFTIJMGSIRCL-UHFFFAOYSA-N	241.338	-0.545	50	10	BBGE	
O=C(NCCC(CO)CO)[C@@H]1C[C@@H]1Cl	1893462137	WESWDZNBQDHKHJ-SFYZADRCSA-N	221.684	-0.279	50	10	BBGE	
C[C@]1(F)C[C@H](CNC(=O)C(=O)NN)C1	1895573932	LHCINECTMSAXHS-AIDJGGAASA-N	203.217	-0.769	50	10	BBGE	
C[C@]1(C(=O)NNCCO)CCCCO1	1896735428	OXHRPGQHKPXXOP-SECBINFHSA-N	202.254	-0.441	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1[C@@H](N)C1(C)C	1901340225	ALFRRAUCHQVBKC-NKWVEPMBSA-N	249.336	-0.718	50	10	BBGE	
Cc1ncn(C)c1CN1CC[C@H](B(O)O)C1	1902552466	YSAJNORUSHIKAE-VIFPVBQESA-N	223.085	-0.223	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1N1CC(=O)OC(=O)C1	1903097880	YFLKSVMFLJZQEM-RKDXNWHRSA-N	225.244	-0.037	50	10	BBGE	
C[C@@H]1NC[C@@]1(C(=O)O)N1CC=C(C#N)CC1	1903849973	FEBQJTCDDOZVLI-GZMMTYOYSA-N	221.260	-0.043	50	10	BBGE	
COCC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1908715818	RIQIAFNTDHEHAC-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccccc2B(O)O)[C@@H]1C	1914308848	NDUDUYMZOBZPCA-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
CC(C)(CN1CC[C@]12CCOC2)C(=O)NN	1915572197	FBSJVJXINKYPJK-LLVKDONJSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@H]2COCC[C@@H]2O1	1929753471	XCVDUVZQBIIZGA-FXQIFTODSA-N	215.253	-0.647	50	10	BBGE	
CN(CCCl)C(=O)[C@@H]1CCS1(=O)=O	1930861860	LMDGMPJVEJDZLF-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
C[C@H]1CCS[C@H]1C(=O)NCB(O)O	1930909832	ZQBDMBDDKYTOQF-NTSWFWBYSA-N	203.072	-0.744	50	10	BBGE	
C[C@]1(CCl)CN(CCC(N)=O)C1=O	1931732890	AQCZVZPZRHJABF-QMMMGPOBSA-N	204.657	-0.051	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@@H](C)C(=O)NN)C1	1934918035	QBIJAABOCJZYSK-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NNC(N)=O)C2	1935031802	DVROYASQFIDYTF-RORPDPNFSA-N	213.237	-0.357	50	10	BBGE	
CC[C@H](Sc1nnc2nc[nH]n12)C(=O)NN	1935693005	BVVBQLKYZCWKCD-BYPYZUCNSA-N	241.280	-0.687	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1CC(F)(F)C(=O)NN	1935943764	GQJPBPDSBAEWFB-KNVOCYPGSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCN(C)C1CC1	1936674963	AFEDPEJGQAOBMQ-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@@H]3C2=O)CC1	1940087776	MJKXMBASFDSFLT-SFYZADRCSA-N	223.276	-0.375	50	10	BBGE	
COCC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941089413	VOYHQNZABKIRJH-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
NC[C@@H]1CCN1CC(=O)NNc1ccccn1	1942859364	XCZRMLWBBDSGQY-VIFPVBQESA-N	235.291	-0.442	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)C[C@@H]1COC	1944295091	FLHVJIYEPBJQBU-AOOOYVTPSA-N	245.323	-0.793	50	10	BBGE	
CO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1C	1944324218	PVWDXWDZDQAFSL-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCCC[C@H]1C2	1948620372	LWGNTHNEDLAGCR-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](CCNC(=O)C(=O)NN)C(F)F	1954987747	XZJNMSSWKSYCAN-BYPYZUCNSA-N	209.196	-0.616	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN(C(=O)NN)C1	1956315252	CRSCKPKKCRMZJJ-RNFRBKRXSA-N	203.242	-0.695	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1957069604	KVEBFNQWUAURIZ-JAKMQLQISA-N	219.668	-0.432	50	10	BBGE	
CON(C(=O)NN)C1CCS(=O)(=O)CC1	1961850324	PNXPDNLXDCMUNR-UHFFFAOYSA-N	237.281	-0.990	50	10	BBGE	
CN(CCO)Cc1cnsc1C(=O)NN	1961920428	ZOWMTPUUUCLTPG-UHFFFAOYSA-N	230.293	-0.829	50	10	BBGE	
CN([C@H]1C[C@H](O)C1)S(=O)(=O)CCl	1969871858	JFXKOYKFBASPPA-IZLXSQMJSA-N	213.686	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1975152969	RLGTZXVAQUUJLG-XGEHTFHBSA-N	213.281	-0.790	50	10	BBGE	
CC(C)CC(=O)Nc1ncc(B(O)O)cn1	1976032131	QOMPMVWQRKHJTF-UHFFFAOYSA-N	223.041	-0.859	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(CF)C2)O1	1976239279	HDIHLYTXZDEEJW-RKDXNWHRSA-N	231.271	-0.575	50	10	BBGE	
COC1CC2(C1)CN(CCCC(=O)NN)C2	1977525187	WDBIZBQMFLRDCN-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@H](C)CCl	1978821438	GASHYLNXEQEVNL-MRVPVSSYSA-N	249.742	-0.345	50	10	BBGE	
CC(C)[C@H](O)CN(C)CC(F)(F)C(=O)NN	1979848729	HVIUFKWMZKMTIP-SSDOTTSWSA-N	239.266	-0.440	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C(CO)CC1	1980959808	BCUDYHRBCYZXDS-JTQLQIEISA-N	227.308	-0.231	50	10	BBGE	
CCc1cnn(-c2ccncc2B(O)O)c1	1981464587	FFYSZJYCSIBCRM-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C1CSC1	1981468485	CLXSKHWSZOSKNZ-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H](CCO)C(F)F	1984132231	OHHFBCRBKKHTKR-NKWVEPMBSA-N	239.266	-0.297	50	10	BBGE	
NNC(=O)CCN1CC2(CCC(O)CC2)C1	1985162383	AIONIPKLJDBIRB-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CO[C@H](C)C1	1990774525	KCZXZOCBZYWPKO-VXNVDRBHSA-N	229.280	-0.737	50	10	BBGE	
CN1CC[C@H](CNC(=O)/C=C/C(=O)Cl)C1=O	1991713487	UDILKXSIJFBYGS-TYWZFMJISA-N	244.678	-0.098	50	10	BBGE	
O=C(NCC#CB(O)O)C1(CC2CC2)CC1	1992141166	RENLPLUPDZHQAK-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
C=C(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)B(O)O	1992146963	XWIFTJHRIQLKSI-IUCAKERBSA-N	249.141	-0.692	50	10	BBGE	
CC[C@@]1(C(=O)NCC#CB(O)O)CC1(F)F	1992152513	GGRIZGOHVNIHQZ-QMMMGPOBSA-N	231.007	-0.447	50	10	BBGE	
NNC(=O)C12COC(Cn3ccnc3)(C1)C2	1993881460	JQMOCKWEAVEMMC-UHFFFAOYSA-N	222.248	-0.578	50	10	BBGE	
C[C@H]([C@@H]1C[C@H]2CCO[C@@H]21)N(C)CC(=O)NN	1994141566	IOYDRTUMOVQIBA-REIXXSIJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCCO1	2004393671	MUSXVSOCAGTHJC-IUCAKERBSA-N	241.291	-0.464	50	10	BBGE	
C[C@@H]1CNC(=O)CN1[C@H](C(=O)NN)C(C)(C)C	2010571625	UMNKFLZPLSRXFJ-VXNVDRBHSA-N	242.323	-0.789	50	10	BBGE	
Cc1nc(OC[C@@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2011602495	WPMPIOWCCYAWTN-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012639083	GMBYIBHJKUZEFZ-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013924826	GGAMWWNVHJUOAQ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)N[C@@H]1CCOC1	2020062825	UUPWOIUUVWKAFK-APPZFPTMSA-N	240.068	-0.825	50	10	BBGE	
C[C@H]1CN(C)CCN(c2ncccc2B(O)O)C1	2052498703	IQNDQXKRDYNKAC-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
O=Cc1cc(B(O)O)cc([N+](=O)[O-])c1F	2060060443	XVYHJAJNDGOLCS-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1c(C#N)cc(C=O)cc1B(O)O	2060186709	UMADLHSSJKJVNR-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCc1cc(B(O)O)cc([N+](=O)[O-])c1C#N	2060282260	GZRAPXBZMNUTHM-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@]2(C)C[C@@H]12	2065691150	DKDKRTJSKAKMCN-HOSYDEDBSA-N	247.107	-0.219	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3COC[C@H]32)c1	2066310034	PQXFCHIEQCVDPP-GHMZBOCLSA-N	248.286	-0.484	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2068328112	YCXDTUPRXLELIG-PBCZWWQYSA-N	248.066	-0.255	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]1C1CCC1	2079373930	GQHPZLXUBLQTGJ-ZYHUDNBSSA-N	247.103	-0.036	50	10	BBGE	
Cn1cn[nH]c1=N[C@@H]1COC[C@@H]1Cl	2209296233	QDCYRYQCGVXYJT-NTSWFWBYSA-N	202.645	-0.345	50	10	BBGE	
C[C@@H](COCc1nscc1B(O)O)N(C)C	2211140149	LWWVTTQFAWFPFA-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
CN1CCC[C@H]1COC[C@@H]1C[C@@H]1C(=O)NN	2211862298	TUUSTQDOVNRUSM-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CC1(O)CN(CC2(C(=O)NN)CCCC2)C1	2212444609	MNSUCDUKJXKMIE-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC[C@@](C)(CN)Oc1ncccc1B(O)O	2212605023	WNNFWOTVKYDHPL-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](S(=O)(=O)NCB(O)O)C1	2212629373	YTMPWZVWMJUPEM-ZKCHVHJHSA-N	249.141	-0.258	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C[C@H](O)C1CC1	2215776524	NIUWVFXNECPYLK-MXWKQRLJSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CC1(C(=O)NN)CCC1	2216531785	GMUOPNZTIHVXAL-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2217166727	OETUGXVCPUHXGF-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(O[C@@H](C)C[C@@H](C)N)cc1B(O)O	2217168068	RUHZTJWSBFZRDM-BDAKNGLRSA-N	238.096	-0.426	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNc1ncccc1B(O)O	2217173911	UZVGTYNEJJZBKS-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@@H](C)O1	2217178181	SFLKMXMPFFJJDH-MRTMQBJTSA-N	236.080	-0.261	50	10	BBGE	
CC[C@H](C)[C@@H](N)COc1ncccc1B(O)O	2217183531	IYCRDZUMCVUDOB-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C=CCCN2)nc1	2217195172	GNIFDPVKDDJHFF-JTQLQIEISA-N	234.064	-0.942	50	10	BBGE	
CC1(C)CC=CCN1c1ncc(B(O)O)cn1	2217202840	MAXXDYHZWJJLAM-UHFFFAOYSA-N	233.080	-0.299	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2217203015	OILXYORLWAOCSN-VHSXEESVSA-N	235.096	-0.734	50	10	BBGE	
OCC1[C@@H]2CN(Cc3cccc(B(O)O)c3)C[C@@H]12	2220067175	KXMPTRNSYMBZOY-VXGBXAGGSA-N	247.103	-0.964	50	10	BBGE	
NCC[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2223671197	ISKNCXBUXUOIHI-NSHDSACASA-N	249.123	-0.531	50	10	BBGE	
COC1(CNC(=O)NN)CC(CF)C1	2242292676	BROJCPBKUOAPAZ-UHFFFAOYSA-N	205.233	-0.076	50	10	BBGE	
CN(C)NC(=O)CC[C@@H]1CNCCO1	2242393872	SJSIVEVWCWAQNF-MRVPVSSYSA-N	201.270	-0.652	50	10	BBGE	
OB(O)c1ccnc(SC[C@@H]2CCCN2)c1	2242796194	PWJMPKBJRKDLQY-VIFPVBQESA-N	238.121	-0.395	50	10	BBGE	
NC(=O)c1ccc(B(O)O)cc1C(F)(F)F	2243348195	VCMAOAVURMDMQS-UHFFFAOYSA-N	232.954	-0.516	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cscc1B(O)O	2243348357	XBXNIILNTRVJAM-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC1(C)CCN1C(=O)c1ncsc1B(O)O	2243358169	DOBRDWMSEAMDCX-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CCCC[C@H](CN)NC(=O)C1(B(O)O)CC1	2243364922	FHXIKWCYFLXJBN-MRVPVSSYSA-N	228.101	-0.373	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243391655	MVAFXJCIUJFPAH-XHNCKOQMSA-N	229.085	-0.628	50	10	BBGE	
NCC1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243396351	LCOQZTVFWQFEDB-PAVDCMTPSA-N	226.085	-0.907	50	10	BBGE	
CCOC[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396420	LWBDJJFXLUWQIG-AFPNSQJFSA-N	229.085	-0.219	50	10	BBGE	
C[C@@H](c1cncs1)N(C)C(=O)C#CB(O)O	2243403660	ARQHMTLBKFNZOS-ZETCQYMHSA-N	238.077	-0.322	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243404731	SWAOTIOREUYCCF-XGEHTFHBSA-N	226.085	-0.955	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C=C(C)CC1)B(O)O	2243412348	LGGDFKRPRXDBTE-SECBINFHSA-N	245.109	-0.417	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)co1	2244220386	AKPADIXIZHABBQ-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
COC[C@@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2247732494	GKYVMIMYVMYVAN-SECBINFHSA-N	241.096	-0.075	50	10	BBGE	
O=C(Nc1ccncn1)c1cscc1B(O)O	2247733146	MUFMUANUMKNNNE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CNC(=O)c1cc(C(F)(F)F)ccc1B(O)O	2247734344	SEKONDHLXFADAP-UHFFFAOYSA-N	246.981	-0.255	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@H]21	2247741590	BWLYILWHXZTPEK-GMSGAONNSA-N	234.064	-0.681	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1CN	2247753917	KIDFRQXXZAAIJG-DTWKUNHWSA-N	240.112	-0.563	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)C1CC(B(O)O)C1	2247797317	ILNIEBUJSTXMMX-BMNUFHGDSA-N	241.096	-0.341	50	10	BBGE	
Cn1cncc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805244	JXXBWZSOUKPRKA-ZKCHVHJHSA-N	237.068	-0.711	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247852450	USZGDTITBVMAMQ-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247854511	DMMVVDDEKHSFTR-CIUDSAMLSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](OC(F)F)C1	2247855753	XRPATQGLNWOVDM-XVMARJQXSA-N	249.022	-0.311	50	10	BBGE	
O=C(Nc1cnoc1)c1cncc(B(O)O)c1	2247867922	ARLRPJNQXOAJHP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC1=C(C)CN(C(=O)c2coc(B(O)O)c2)C1	2247873174	GEKFPWJCHOBMQV-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(N1CC[C@@H]2[C@@H](O)C[C@H]21)C1(B(O)O)CCC1	2247874867	QHBXVHGBZJOSTP-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)oc1C	2247877377	GZGOMYLLRPJKJL-UHFFFAOYSA-N	243.043	-0.301	50	10	BBGE	
N[C@@H]1CC[C@@H](CCNC(=O)C2(B(O)O)CC2)C1	2247880340	ZIIOZRTVZFAVFO-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCOCC1	2247897391	RRKPYJLBYBUTOF-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247899488	NPDDEKGJGMBEGC-KATARQTJSA-N	240.112	-0.789	50	10	BBGE	
CCCCN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248593280	LKWULKQWUJXLAD-SFYZADRCSA-N	243.068	-0.437	50	10	BBGE	
CN(C[C@H]1COC2(CCC2)C1)C(=O)C(=O)NN	2248757030	SNKHWUXTTUZIIQ-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
CCC1(C)CN(C(=O)c2cocc2B(O)O)C1	2249417633	IQRDAVBTNGKIKS-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250695027	GJVXWOFNLWTYPT-WPRPVWTQSA-N	238.096	-0.809	50	10	BBGE	
C#CC[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2255474335	QWNHJZALHYUORB-SNVBAGLBSA-N	246.075	-0.774	50	10	BBGE	
O=C(N1CCCc2n[nH]cc2C1)C1(B(O)O)CC1	2255491422	XCJOWYXHTZCXRC-UHFFFAOYSA-N	249.079	-0.309	50	10	BBGE	
CC=C1CN(C(=O)c2nccc(C)c2B(O)O)C1	2255564471	AKSYUWCYMYLVNO-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1ccnc(C(=O)N2CCCCC2)c1B(O)O	2255582870	ZDPPIVXZDBXVDJ-UHFFFAOYSA-N	248.091	-0.304	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](c2cnc[nH]2)C1	2255679373	HCEKRBUCCYCLBS-SECBINFHSA-N	247.063	-0.869	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255713403	AKQDQQJFADNTJX-GXSJLCMTSA-N	248.091	-0.464	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cn2)C[C@H]1C	2255716883	VEKDGZJBGVKGQO-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
Cc1cocc1CNC(=O)c1cocc1B(O)O	2258146689	JNLJGWCABFPMPF-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2298165747	UUYDZHIXMOIPBG-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)C(=O)C1(B(O)O)CC1	2298374965	IRKNHNRYJWMOCO-CIUDSAMLSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377530	UXLDOEFURFXPBI-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377540	VBEPEENYYAJXLV-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)C1CC(B(O)O)C1	2300062394	SGCLYSMEVPQXSN-AMDVSUOASA-N	242.128	-0.271	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)CO2	2300493787	GPXLBEJCZOVWOS-HTFKAIDBSA-N	239.080	-0.467	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	2301425919	FLJCVERDEDCYMK-HTQZYQBOSA-N	242.254	-0.929	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CCO2)ccc1B(O)O	2302413307	UGIJJYYLIFOJRL-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@](C)(B(O)O)C2)n[nH]1	2303108109	DWKUNQCZXSSYHI-VIFPVBQESA-N	238.056	-0.808	50	10	BBGE	
O=C(CCN1CC[C@H](B(O)O)C1)NC1CCC1	2303159649	RBYYMLWSKMBSRQ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC[C@](C)(CN1CC(O)(C2CC2)C1)C(=O)NN	2303427852	CJXWKCLAIGINQV-LLVKDONJSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](N)CNc1ccc(B(O)O)cc1C#N	2317168406	UESGOGGSFZNUCU-NSHDSACASA-N	247.107	-0.367	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@@H]1CCOC1	2317311064	KHFMNNXLRTVODH-LLVKDONJSA-N	249.075	-0.596	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)c1ccc(B(O)O)cc1	2318670829	GCXRUWVRCJVOAQ-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCN[C@H]3C[C@H]32)CC1	2320722281	VVAFBLVGDMGXKZ-VWYCJHECSA-N	249.314	-0.139	50	10	BBGE	
O=C1C[C@@](C(=O)O)([C@@H](Cl)C(=O)O)O1	13740343	KHOAAJFHOVXXID-DZSWIPIPSA-N	208.553	-0.551	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@]1(C)C(=O)O	79487439	FIGPGFRJFSCINX-SNVBAGLBSA-N	243.263	-0.907	50	10	BBGE	
Cc1cc(C(=O)NN)c(=O)n(CC(C)C)n1	82449964	MZIDHHTUIMXNHP-UHFFFAOYSA-N	224.264	-0.189	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CCN1C	82485311	NZISKVLHSSQIGV-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H](C)C(=O)O	83051339	ACIKUMIIYHFWTF-YFKPBYRVSA-N	234.277	-0.392	50	10	BBGE	
COC[C@H](C)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	104121521	AVGXXIKCNQLUAF-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
Cn1ncnc1SCc1cccc(B(O)O)c1	228082748	WUJGKMKYAZPTMZ-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C(=O)NN)C1	229471534	GDZSQUCNABTKIV-BWZBUEFSSA-N	213.281	-0.131	50	10	BBGE	
CCCCN(C)[C@H](COC)C(=O)NN	232418933	RBCMJRRJCJHKBL-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
COC[C@H](S[C@H](C)CN)C(=O)NN	232421682	PODNNPSRWNNELJ-RITPCOANSA-N	207.299	-0.928	50	10	BBGE	
CN(C)CC(=O)c1ccc(B(O)O)cc1	238290452	VWIQXBUNOLCSHN-UHFFFAOYSA-N	207.038	-0.889	50	10	BBGE	
CO[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	300042956	TVULQEDWMGNRHC-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
Cc1ccc(Cn2ccnc2)cc1B(O)O	307337518	PBIBKOSGQZDVFV-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C(=O)NN)C(C)C	308187910	LGHWLPYDGNLRPA-SECBINFHSA-N	230.312	-0.931	50	10	BBGE	
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1O[C@@H]2C[C@H]1C(=O)O	308747285	GQOKHYKFPZJCCC-RWOPYEJCSA-N	212.157	-0.826	50	10	BBGE	
CCCC(=O)NNC(=S)NCC(=O)OC	308768123	IMMNLEVAFXDLHD-UHFFFAOYSA-N	233.293	-0.545	50	10	BBGE	
CC[C@@H](N=c1[nH]nc(CCl)o1)C(N)=O	379218333	IJKDXTCLKCRYSS-SCSAIBSYSA-N	218.644	-0.094	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnc[nH]c1=N	390349532	OWTOPIXKRTUPJQ-UHFFFAOYSA-N	241.276	-0.987	50	10	BBGE	
O=C(O)CCc1cc(O)ccc1B(O)O	396051612	GXJBQLBJJAWMEM-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
Nc1csc2ccc(C(=O)O)c(B(O)O)c12	396236226	CTQMVSIGWJCDEC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1ccc(B(O)O)c2c(C(=O)O)csc12	396236685	BRTTYXXAVMHVKQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1c(C(=O)O)c(B(O)O)cc2sccc12	396249049	VVSONILUGFKNTH-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@H](C)[C@H](C)C(=O)NN)C1	401528161	GTZAGCVEWPEJAO-AXTSPUMRSA-N	229.324	-0.296	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCCOC1	401629745	VNLPXUPITKSUJI-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(CCCF)CC1	402773763	KKCYORVAYDFEQF-SNVBAGLBSA-N	246.330	-0.268	50	10	BBGE	
C=CCNC(=O)Nc1cccc(B(O)O)c1	404989822	ZMUDVYCCJLVRHU-UHFFFAOYSA-N	220.037	-0.326	50	10	BBGE	
C[C@@H](C(=O)Nc1cccc(B(O)O)n1)C1CC1	404995950	HNUNWADTVHQRDM-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCc2ccccc21	687257958	RQJUYZQZMBFQOZ-SECBINFHSA-N	219.244	-0.220	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](C)CO	688393697	AKZJUAPYLISEIB-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1C[C@@H](C)C(=O)NN	688638279	HKEOOABHMIOPSV-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN1CC[C@H](COc2cncc(B(O)O)c2)C1	691574213	YCMLNHJRTUMQIO-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
OB(O)c1ccn(Cc2ccc(F)cc2F)n1	694277858	URORRBXULTWUAO-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
Cc1cccc(Cn2ccc(B(O)O)n2)c1	694307883	JFJMQRPZQJPLCR-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(COC2)C1	697133454	ODDROJWWTGEJNJ-JGVFFNPUSA-N	213.281	-0.667	50	10	BBGE	
O[C@H](CCl)Cc1nnc2n1CCOC2	701513386	LRWNLZXMLOSOPR-LURJTMIESA-N	217.656	-0.050	50	10	BBGE	
Cc1cc(OCC(=O)NNC(N)=S)no1	706019603	VLURFAZPJDNKIA-UHFFFAOYSA-N	230.249	-0.774	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(OC(C)(C)C)C1	707221748	XTQQUGCMDOWKKR-SECBINFHSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1CCN(Cc2ccccc2B(O)O)CCO1	720454857	OZDANIXBYICLKT-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)CN1CCS[C@H](C(F)(F)F)C1	721411492	GAUWVEIBNHFHPH-YFKPBYRVSA-N	243.254	-0.044	50	10	BBGE	
CSC[C@@H]1[N]SC(C(=O)NN)=N1	725606401	MOMLWXOWZHWYMC-VKHMYHEASA-N	205.288	-0.670	50	10	BBGE	
CNC(=O)NC[C]1CC=C(B(O)O)S1	725658797	XJEBCBXIELXSGC-UHFFFAOYSA-N	215.063	-0.520	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CNC(=O)C1CC1	862503972	MPEAMXUGXSEILO-UHFFFAOYSA-N	248.286	-0.219	50	10	BBGE	
CCO[C@@H]1COCC[C@@H]1CC(=O)NNC(C)=O	864426956	FDFAYKXWDQEKEF-NXEZZACHSA-N	244.291	-0.015	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1C[C@H]1OC	935910380	HCLGHBSTHLDKLP-HTQZYQBOSA-N	202.254	-0.369	50	10	BBGE	
O=C(COC1CC1)N1CC[C@H](B(O)O)C1	1262160078	SMOPVCRZKUHEKB-ZETCQYMHSA-N	213.042	-0.759	50	10	BBGE	
NC(=O)C(=O)NN=C1CC[C@@H]2[C@H]3OCC[C@H]3[C@H]12	1332035147	WQIWJQSOPKPWJG-HMJBSVBGSA-N	237.259	-0.611	50	10	BBGE	
Cc1cnc(NC(=O)c2ccc(B(O)O)cc2)[nH]1	1588188748	LTLSGRNVRDNKEV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(C)nn1	1597672468	WFDNJWOAVACWDX-UHFFFAOYSA-N	223.236	-0.251	50	10	BBGE	
O=C(NNc1nc[nH]n1)C(=O)c1ccc(O)cc1	1611411536	MRVCLASOLMJVDR-UHFFFAOYSA-N	247.214	-0.164	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)OC)C1	1625506470	DTBVCUFNVKXBAK-NKWVEPMBSA-N	243.263	-0.464	50	10	BBGE	
O[C@H]1[C@@H]2C[C@@H](CN(CCCl)C2)[C@H]1O	1882456587	RSIKMTTUSSSWHV-OJOKCITNSA-N	205.685	-0.101	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)C1CCC1	1892923285	DUUHXCMAQHUQHB-UHFFFAOYSA-N	219.071	-0.974	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1[C@@H]2CNC[C@@H]12	1893404742	JKSNZGLXWNNUFR-PHDIDXHHSA-N	214.652	-0.358	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)[C@@H]1C[C@H]1Cl	1893475683	WVZRNMBIJVYKIX-RFZPGFLSSA-N	215.644	-0.215	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1ccncc1B(O)O	1896345285	WBMMAAWQYQGLRA-CBAPKCEASA-N	224.044	-0.444	50	10	BBGE	
C#CCCCOC[C@H]1CC[C@@H](C(=O)NN)O1	1900770539	PEZOOTMTDRDCOD-ZJUUUORDSA-N	226.276	-0.046	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H]1CN	1901339064	HSJFYCZQLPUJOH-HTQZYQBOSA-N	249.336	-0.718	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@@H]1C[C@@H]1F	1902640121	ZTVHDNIKDZPKFQ-BQBZGAKWSA-N	244.100	-0.387	50	10	BBGE	
NCCCCOc1cc(B(O)O)c(F)cn1	1903024371	FTXCKODZERYQCX-UHFFFAOYSA-N	228.032	-0.982	50	10	BBGE	
Cc1nc(OCC2[C@H](C)[C@H]2C)ncc1B(O)O	1908566911	WPMPIOWCCYAWTN-RNFRBKRXSA-N	236.080	-0.254	50	10	BBGE	
CCc1ccnc(C(=O)NNC(N)=O)c1	1912353454	PGRAQEKTOLPOQW-UHFFFAOYSA-N	208.221	-0.043	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	1914259772	NWYMSYDNOAUFNW-FNCVBFRFSA-N	213.281	-0.933	50	10	BBGE	
OB(O)c1cccc(CN2CCC3(COC3)C2)c1	1915571583	RYAQDSNFQRWFIE-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
Nc1cccc(C(=O)NNC(=O)C(F)(F)F)n1	1923932539	XGSSHKQGLNEYRQ-UHFFFAOYSA-N	248.164	-0.013	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C[C@@H]1C	1929939081	LVEKBZRWLZMNSA-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(C)CCCN1C	1934064342	BQGSUTWHMWLNDU-JTQLQIEISA-N	214.313	-0.608	50	10	BBGE	
CC(=O)N1CCc2cc(B(O)O)ccc2C1	1937505659	ATGVHGFHSAOJKP-UHFFFAOYSA-N	219.049	-0.729	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@H]1COC[C@@H]1Cl	1939166828	LVJXBRNOMOZMKM-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
CN(Cc1nccn1C)C[C@H]1C[C@H]1C(=O)NN	1941081731	XYRPZDJDXMQKSJ-RKDXNWHRSA-N	237.307	-0.522	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1C	1941088625	RLVYJYBFEUVBHL-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(C2CC2)C1=O	1941092879	CTIRFNZYBYVJEG-IONNQARKSA-N	238.291	-0.488	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCCOC1	1941783719	CUAFEOOYDQXFFM-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
C=C1CON(Cc2ccc(F)c(B(O)O)c2)C1	1944604223	OQPARYFPYVPGES-UHFFFAOYSA-N	237.039	-0.191	50	10	BBGE	
Cn1cnc(COc2cccc(B(O)O)c2)c1	1946174972	JERXXRUHRNDGLL-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
COCCN1CCN([C@@H](C)CC(=O)NN)CC1	1949126815	HCHLDDZJMSVMHI-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CC(=O)N[C@H](CCN=C=O)CS(C)(=O)=O	1951425577	OBYHZJBQCJGXCT-MRVPVSSYSA-N	234.277	-0.738	50	10	BBGE	
COC[C@@]1(C)COCCN1C(=O)NN	1956617689	ZUNUBMXGMUZQJQ-QMMMGPOBSA-N	203.242	-0.693	50	10	BBGE	
C=C1CON(c2nc(B(O)O)cs2)C1	1956965147	JKKMENXAPOLVDH-UHFFFAOYSA-N	212.039	-0.869	50	10	BBGE	
COCCOC[C@H]1CCCN1C(=O)NN	1958305847	OMSBDLBSYPACPI-MRVPVSSYSA-N	217.269	-0.303	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC12CC(CO)C2	1958791186	OGCAWFKGBLSZGE-JEUQWKINSA-N	213.281	-0.788	50	10	BBGE	
CC(C)OC(=O)N[C@@H](CB(O)O)C(=O)O	1958870837	SLHIFTNPUVYCCM-YFKPBYRVSA-N	219.002	-0.953	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(OC)(C(N)=O)C1	1958916890	DGLQNLYARIYTBZ-ZCFIWIBFSA-N	234.683	-0.284	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)NN)CCS1(=O)=O	1959082462	CQRPWPPNZCKXQH-NKWVEPMBSA-N	235.309	-0.627	50	10	BBGE	
NNC(=O)CN1CCCO[C@H]2CCC[C@@H]21	1961267689	FHRICMYSBITHBG-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961922299	SLHDSYSKXRAEMB-MQIGXGKASA-N	230.695	-0.067	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1c1ncon1	1976756800	YKFOWZUVGGRDKV-RQJHMYQMSA-N	225.252	-0.415	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC([C@@H](F)CO)C1	1979547843	KIMNWUWLOFFHOG-ZKWXMUAHSA-N	233.287	-0.737	50	10	BBGE	
CC(C)[C@H](C)N(C)c1ncc(B(O)O)cn1	1981408538	BSWSNFVIWMTDQZ-QMMMGPOBSA-N	223.085	-0.363	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H](F)C2)nc1	1981413708	JTKAGQQXSFQNMG-QMMMGPOBSA-N	225.032	-0.905	50	10	BBGE	
CC[C@H](C)N(C)c1ncnc(C)c1B(O)O	1981445828	ORJDWDJLIOAYLP-ZETCQYMHSA-N	223.085	-0.300	50	10	BBGE	
CCN(CC)c1nc(C)nc(C)c1B(O)O	1981469880	ZSFAHPKQOJWEQA-UHFFFAOYSA-N	223.085	-0.381	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H]1C(F)F	1982687767	VMHZMCHARLBJJF-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H]1F	1982809716	VONOOZGXTMECOP-BQBZGAKWSA-N	224.000	-0.942	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC[C@@H]1OC	1983641094	PBISVKAHIZEADX-VGMNWLOBSA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2CCO[C@H]2C1	1986659766	HKYHKWNXCMTCNC-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
O=C(NNCCO)[C@@]12CCCCN1CCC2	1986980118	OGJWWBODOBBFBR-NSHDSACASA-N	227.308	-0.382	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)cn2)CCCOC1	1989799116	SBTAOSDPBHILTQ-SNVBAGLBSA-N	224.069	-0.620	50	10	BBGE	
CC(C)(C)S(=O)(=O)N[C@H]1CCC=C1B(O)O	1991329063	VKRZFCQONRIHQK-QMMMGPOBSA-N	247.125	-0.195	50	10	BBGE	
C[C@@]1(CO)C[C@H](O)CN1C(=O)C=CC(=O)Cl	1991650987	QGSGDVVANOGDOS-XVKPBYJWSA-N	247.678	-0.348	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@]2(CO)C[C@@]2(CO)C1	1991685991	NYIYVFHSTQWBMW-IFFSRLJSSA-N	245.706	-0.183	50	10	BBGE	
CN(C)C[C@@](C)(O)CNC(=O)/C=C/C(=O)Cl	1991705493	FUEJOYTURBDVQG-YEZKRMTDSA-N	248.710	-0.263	50	10	BBGE	
C=C(CN1CCN2CCCC[C@@H]2C1)B(O)O	1992154193	WCARQYMIDMROIJ-LLVKDONJSA-N	224.113	-0.275	50	10	BBGE	
C=C(CN1C[C@@H]2CCC[C@H](C1)N2C)B(O)O	1992167041	CPEOUCNGYLQWFM-PHIMTYICSA-N	224.113	-0.277	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@@]1(C)C(=O)O	1993402839	XBDZLLVDENGJTP-VIFPVBQESA-N	231.252	-0.652	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C[C@@H]2O)C1)C(=O)NN	1999847101	LGARDUWNDNIKJY-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
CCc1nn(CC2COC2)c(CC)c1B(O)O	2004044540	WMAODJYHYZYORV-UHFFFAOYSA-N	238.096	-0.666	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]([C@@H]2CCCCO2)C1	2004402184	NMHUORIZPAZFMW-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
CC[C@](C)(COc1ccncc1B(O)O)OC	2004953631	XHUUBOMBJKYXAF-LLVKDONJSA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(N2C[C@@H](C)C[C@@H]2C)ncc1B(O)O	2004973817	ANRWRGIJPOVEMJ-YUMQZZPRSA-N	235.096	-0.300	50	10	BBGE	
N#Cc1ncn(Cc2cnsc2C(=O)NN)n1	2005398078	BBIQADPOVFFKMO-UHFFFAOYSA-N	249.259	-0.742	50	10	BBGE	
CC(C)(O)[C@@H]1CN(CCCC(=O)NN)CCO1	2005912033	GWOREKUSKFZDRB-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cc1nc(C(=O)Nc2ccc(B(O)O)cc2)co1	2031813925	QTPURMQZWSYQRS-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC[C@H]2C[C@H]21	2040236466	PIVBIEICJUEXTG-FXBDTBDDSA-N	246.075	-0.254	50	10	BBGE	
Cc1cc(-n2cnc(C(C)C)n2)ncc1B(O)O	2052598052	VHEVOXJOQIZZCV-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCN(C)CC1	2052622229	RBBSPISCVAYJQM-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@@]32C)n1	2052624807	UOZOEBMFAXOTBK-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2[C@H]3COC[C@H]23)c1	2068627123	FGWLEBWOZQSQMS-UWVGGRQHSA-N	248.087	-0.054	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	2074933802	MXFQENQZRHXKHI-NNYUYHANSA-N	249.314	-0.092	50	10	BBGE	
O=C(N1CCc2c(B(O)O)cccc21)C1(F)CC1	2085365002	UFBZTHUWFRAVLM-UHFFFAOYSA-N	249.050	-0.242	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)nc1	2086995223	QDEXHHPTJJPWEH-NNRMUWNLSA-N	243.071	-0.350	50	10	BBGE	
C=C(CN1C[C@H]2[C@@H](OCC)C[C@H]2C1)B(O)O	2210599826	AKLOQMVUXFCQEL-AXFHLTTASA-N	225.097	-0.089	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2210730439	GJMVPRTVIZJCOW-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1(CO)CC1	2212262184	MQJKMQCYPAMMFV-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C#CC(C)(C)COc1cc(B(O)O)ccn1	2212608574	UIUGBSSXXWHSJP-UHFFFAOYSA-N	219.049	-0.200	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cn1)[C@H](C)O	2212610549	KPCUYBSQCJPWGN-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H](CCO)N(C)Cc1cccc(B(O)O)c1	2214606378	VZEZHHBLMCXDOT-JTQLQIEISA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2[C@H](O)C[C@H]21	2215773285	SESYBWLCVNDDDK-KAMPLNKDSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1CC[C@@H]1C(=O)NN	2215773751	BYBNXZGMFCWZFJ-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215775230	ZSJJLCRRYFKTBV-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
CCNC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2217168555	VNPUDOSFJMZVDH-VIFPVBQESA-N	238.096	-0.553	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3COCC[C@H]32)c1	2217174473	ZQWCUXGWXMAJBX-WCABBAIRSA-N	234.064	-0.792	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]2[C@@H](C)O)cc1B(O)O	2217180176	QSWYZOIXNHZJLC-NQMVMOMDSA-N	236.080	-0.749	50	10	BBGE	
Cc1cnc(O[C@H]2CN[C@H](C)C2)cc1B(O)O	2217182254	BBVRISGHSXMARA-RKDXNWHRSA-N	236.080	-0.801	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@H]2C)cc1B(O)O	2217182962	FATVUZLVEMGLBU-WCBMZHEXSA-N	235.096	-0.768	50	10	BBGE	
N#C[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2217184946	SMQFSFUNCWGZRG-SSDOTTSWSA-N	235.027	-0.750	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1CC=CC1	2217197350	LNMVBUOZTXHSGH-MRVPVSSYSA-N	233.080	-0.077	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC=CCC2)[nH]c1	2217198888	HPSCVKCLIAJAOQ-VIFPVBQESA-N	233.080	-0.654	50	10	BBGE	
CC(C)[C@@H](O)CCNc1ncccc1B(O)O	2217203355	TYEBRYRBHUFHSA-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)c1cc(B(O)O)ccn1	2223633405	WHVRDFDKARHXNI-HOSYDEDBSA-N	248.091	-0.768	50	10	BBGE	
Cc1cnc(N2CCC[C@H](N)[C@H]2C)cc1B(O)O	2223652416	JBJMNJIDDCJGRJ-KOLCDFICSA-N	249.123	-0.614	50	10	BBGE	
Cc1csc(C(=O)N(C)O)c1B(O)O	2241478273	BGVYIFSBLUFAMT-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
CC[C@H](C(F)F)n1cc(B(O)O)cn1	2242499320	LQSUYOXMBWUYRS-ZCFIWIBFSA-N	203.985	-0.221	50	10	BBGE	
O=C(NCc1ncc[nH]1)C1(B(O)O)CCC1	2243347628	OTTJFPRZOILYHF-UHFFFAOYSA-N	223.041	-0.577	50	10	BBGE	
C[C@@H](Cc1ccsc1)NC(=O)C#CB(O)O	2243362596	TZHWYCKTNHLLEF-QMMMGPOBSA-N	237.089	-0.189	50	10	BBGE	
CC(C)(C)ONC(=O)c1cc(B(O)O)c[nH]1	2243362929	YMNTUBYYTUYFPI-UHFFFAOYSA-N	226.041	-0.846	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)C1(B(O)O)CC1	2243364678	ASPVJUOTRCTYTP-VIFPVBQESA-N	229.085	-0.339	50	10	BBGE	
O=C(NC1CCC1)c1ccc(B(O)O)cn1	2243375064	NZTWCGFHIZYNJT-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
C=C1CC(NC(=O)c2sccc2B(O)O)C1	2243377427	YTLBHWIZRWJSDG-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1N[C@H]2CC[C@H]1C2	2243397350	ZKELJNYESKVDIU-JBDRJPRFSA-N	224.069	-0.493	50	10	BBGE	
CC(C)C[C@H]1CC[C@H]1NC(=O)C#CB(O)O	2243399495	MRBLXKTXVCANDG-NXEZZACHSA-N	223.081	-0.057	50	10	BBGE	
Cc1csc(C(=O)N2CC(C)C2)c1B(O)O	2243405091	ZLIXHBFSQBEVCI-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1(C)CC1	2243406928	IEMCVLFRUMVKBD-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243409017	ZRQCONLWRORWLM-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC=CCC1)B(O)O	2243420481	UDISOABKTFCTSH-SECBINFHSA-N	245.109	-0.417	50	10	BBGE	
C=CCS(=O)(=O)N1CCOCC[C@@H]1N=C=O	2243982289	PQDDUROWGLHMHZ-SECBINFHSA-N	246.288	-0.114	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H](F)C1	2244223526	WRFVWSIBVQBHAF-SSDOTTSWSA-N	227.000	-0.857	50	10	BBGE	
O=C(NCCC#CB(O)O)C1CCSCC1	2244547167	WKMNXMGIJJRSIL-UHFFFAOYSA-N	241.121	-0.349	50	10	BBGE	
Cc1ccc(B(O)O)c(OC2(C)COC2)n1	2245008831	WNHFCJSTRMHNLT-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)oc1C	2247736523	WJBXFGKLCQJWRJ-UHFFFAOYSA-N	241.027	-0.177	50	10	BBGE	
CC=CCCCNC(=O)c1cc(B(O)O)c[nH]1	2247742944	WNMUHINZFDSTLX-UHFFFAOYSA-N	236.080	-0.219	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ccc(B(O)O)o1	2247747837	SZUVQWFQFBEAGE-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1occc1B(O)O	2247751188	UNMACZJYAJPBTO-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)ccc1C	2247752041	HMSSYLFPXALGSR-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
CON1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247755389	JPAITJYRFUOQMY-MRVPVSSYSA-N	242.084	-0.865	50	10	BBGE	
C[C@H]1COCCCN1C(=O)C1CC(B(O)O)C1	2247796693	BXZTWNMVCIBBHO-IDKOKCKLSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@@H]1CCO	2247797343	IPCSONLEMRCHMU-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
CCN(CC1(O)CCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808097	KCKYPBKBBYUYJZ-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CNC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808984	WUCZIXQPNZSRAE-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
CC1(C)CNCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247854217	YUPZFIBQLPBPNX-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2247879372	UDKABDPNVMSSLS-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCC[C@@H]1CCCOC1)[C@@H]1C[C@H]1B(O)O	2247886535	CKJUZDKDZDSWPW-IVZWLZJFSA-N	241.096	-0.218	50	10	BBGE	
CC(C)=CCNC(=O)c1cc(C)c(B(O)O)o1	2247891033	DVTMCSDWLOHYCY-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@H]12)[C@@H]1C[C@@H]1B(O)O	2247896569	ZTKAGZQJUILLMP-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247896747	JXFHTKJTJWQZCP-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903550	KWHAZHVFYLCGJF-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
O=C(Nc1cncnc1)c1cc(B(O)O)co1	2249428312	DDCHNPBDURSYPZ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CCC1(OC[C@H]2CC[C@@H](C(=O)NN)O2)COC1	2250791846	PDRGJCGRGURHKR-BDAKNGLRSA-N	244.291	-0.281	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CCC1	2251034601	YJXGBTJEVDIFEV-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1c(C)cccc1B(O)O	2255513608	URGSBBSJBMXIGM-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ncccc1B(O)O	2255518836	PJFZYYWAQIAQSD-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2C=CCC2)c(B(O)O)c1	2255562508	WEGXJALXEXRNHV-VIFPVBQESA-N	246.075	-0.482	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255679370	HBAGBGLRDBMCEP-QPUJVOFHSA-N	248.091	-0.433	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccncc2B(O)O)C1	2255728905	NHRRZJTYSHBTEU-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
O=C(NC[C@@]1(F)CCCNC1)[C@H]1C[C@H]1B(O)O	2298370391	XZKOBRAUKDASQO-QXFUBDJGSA-N	244.075	-0.943	50	10	BBGE	
CC12CC(C1)[C@H](C(=O)NCC=CB(O)O)CO2	2300485427	AXRHLYFGHRHGRJ-INWMGODYSA-N	239.080	-0.514	50	10	BBGE	
CCCN(CCC)NC(=O)N[C@H](CO)C(=O)O	2302415994	WBEJOTURNASDAZ-MRVPVSSYSA-N	247.295	-0.232	50	10	BBGE	
OB(O)c1cccnc1OCC1[C@@H]2COC[C@@H]12	2302546437	WXQMKLSCRUWAQW-HTQZYQBOSA-N	235.048	-0.967	50	10	BBGE	
O=C([C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)N1CC[C@@H](B(O)O)C1	2303103542	FMDSYJBOBZIPII-UUFBCVLASA-N	235.092	-0.036	50	10	BBGE	
COC1CC(CC(=O)N2CC[C@@H](B(O)O)C2)C1	2303111612	KXXBQKFMJOQCKD-HWOCKDDLSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)c(F)cn1)[C@H](C)O	2303835875	DJMNVMLQMISBBG-RCOVLWMOSA-N	242.059	-0.528	50	10	BBGE	
C[C@@H](CNc1ccc(B(O)O)cc1C#N)N(C)C	2317151794	VCXAZNHQBXPTIF-VIFPVBQESA-N	247.107	-0.400	50	10	BBGE	
NC[C@H]1CC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311724	UNCMGOFKURGBJA-PRHODGIISA-N	249.075	-0.705	50	10	BBGE	
CC(C)(C)OC(=O)NNCCC(N)=O	39093239	CZJTXZUDACFWLF-UHFFFAOYSA-N	203.242	-0.109	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=S)c(O)c1	83590861	NTQILMMOTAFYEC-UHFFFAOYSA-N	241.272	-0.121	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)c1nnnn1C	85138966	WXRZJLGRTSYUPX-RXMQYKEDSA-N	238.700	-0.141	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(CO)CC1	86313256	MZOUOEMGMRKIQN-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
COCCN(CCC#N)[C@@H](C)[C@@H](C)C(=O)NN	93071888	IMYDOOZTFGHAOB-ZJUUUORDSA-N	242.323	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCNC(=O)C1(C)C	93072271	DLCOMMSENCAHJE-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](C(N)=O)C1	104118191	KJEHUZHXJHRFOF-DTWKUNHWSA-N	242.323	-0.802	50	10	BBGE	
C[C@H](C(=O)NN)n1cnc(C#N)c1C#N	125440469	IEPRJRCCDOOKIZ-RXMQYKEDSA-N	204.193	-0.823	50	10	BBGE	
COC(=O)[C@@H](Br)CC(N)=O	146319879	YEJKZSWLIFRIEW-VKHMYHEASA-N	210.027	-0.202	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)NN)C1	159485970	XJLGQMIDRFSSMX-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
CN(C)[C@@H]1Cc2ccc(B(O)O)cc2C1	170024758	RBIKBTNIPRNRGO-LLVKDONJSA-N	205.066	-0.605	50	10	BBGE	
CCCCCOCC(=O)NNC(=O)CO	182745767	IAGKPBBPUZTTHB-UHFFFAOYSA-N	218.253	-0.667	50	10	BBGE	
Cc1ccn(CCOc2ccc(B(O)O)cc2)n1	203618085	BXNQGAXZAZHOPO-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
O=C1C[C@H](NC(=O)CBr)CN1	229035397	LEZWRTZYJABSDQ-BYPYZUCNSA-N	221.054	-0.614	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCO)CC(F)F	231592517	MTXPQVNSEOMQOC-RQJHMYQMSA-N	239.266	-0.440	50	10	BBGE	
CCN(CCO)Cc1cccc(C(=O)NN)n1	233466254	KNSAWALOQYJXPA-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cncnc1	234552167	HALOTPREERQGKP-ZETCQYMHSA-N	243.650	-0.013	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2O[C@H]3[C@H](OC(=O)[C@H]13)[C@H]2Cl	256600531	SIIMPOCAYCQRBK-LKKUUOETSA-N	218.592	-0.383	50	10	BBGE	
CC(=O)NNC(=O)COCC1CCNCC1	260664350	XHMXUBURVQHNNV-UHFFFAOYSA-N	229.280	-0.830	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)[C@H]1CO	299907222	HCVDIGUKBFVVPR-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cc(Br)cnc1O	306622499	CXZDUNGJAQCSAZ-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
O=C(CCCl)NC1CS(=O)(=O)C1	306735083	PAOCRUXZFVZPQI-UHFFFAOYSA-N	211.670	-0.472	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)[C@@H](O)C1	306833007	PEZJSMHVFDYXSC-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H]1COCCN([C@H](C)C(=O)NN)C1	306959308	XJZBDQSHGLADRP-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1NC[C@@H](I)C(=O)N1	307759638	SLQAJRFYESMPCU-IUYQGCFVSA-N	240.044	-0.145	50	10	BBGE	
CO[C@]1(C)CCN([C@@H](C)CC(=O)NN)C1	308801022	DQRJCSRKSZJZOF-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@](C)(CO)S[C@H](COC)C(=O)NN	311179828	XAEWFFUINJYMRZ-APPZFPTMSA-N	236.337	-0.115	50	10	BBGE	
C#CCCCNC(=O)NNC(N)=S	379377412	XMLYGOCGWCZVPY-UHFFFAOYSA-N	200.267	-0.553	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	380618327	ZXQJRSSRJTUCHJ-XVKPBYJWSA-N	248.710	-0.300	50	10	BBGE	
OB(O)c1ccc(OC(F)F)c2[nH]cnc12	396036454	BUIWSGIWEIQLEO-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1CC(=O)O	396133094	OEZVPEDNOROYQO-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
CNC(=O)[C@H]1CCN([C@H](C(=O)NN)C(C)C)C1	398472483	GWMNSBIMYWGNAJ-IUCAKERBSA-N	242.323	-0.931	50	10	BBGE	
CC[C@@H]1CN(CCCCC(=O)NN)C[C@H]1O	399866605	AHTAKZPPTYSUPN-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CCCOC(=O)Nc1ncc(B(O)O)s1	405156575	WVWJAOWRIAGAKA-UHFFFAOYSA-N	230.054	-0.219	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1CCCC(=O)NN	688755476	OLOQBOZYMCFHQW-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@H](NC(N)=O)C1	690797062	VYNMXISJGHBNGA-RQJHMYQMSA-N	216.672	-0.140	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CO[C@H](C2CC2)C1	691374338	XSLFEORJZWDWJC-SFYZADRCSA-N	227.264	-0.998	50	10	BBGE	
CCN(C[C@H](C)O)[C@@H](C)CCC(=O)NN	692173788	TWYIIEOJBWIUNS-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCO[C@H](C#N)C1	695104511	SAPXPXYNZZPEGH-ZJUUUORDSA-N	240.307	-0.385	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](CO)C1	700399229	QYLPYOMQNZNSQR-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
O=C(NCB(O)O)c1cc([N+](=O)[O-])ccc1F	701931364	JBMWDMDLJJVMMI-UHFFFAOYSA-N	241.971	-0.524	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1nc(C(=O)NN)co1	703550034	FINJABUAZPLGSB-SVRRBLITSA-N	241.247	-0.170	50	10	BBGE	
NC(=O)NCCC[C@H]1NC(=O)OC1=O	709972616	RNWAJEVDCPDDKZ-SCSAIBSYSA-N	201.182	-0.930	50	10	BBGE	
NC(=S)NNC(=O)c1n[nH]c2c1CCCC2	713799388	UOYCXFFIMCZFCV-UHFFFAOYSA-N	239.304	-0.234	50	10	BBGE	
O=C(CCOC1CCC1)NCB(O)O	716967018	VBHDTTHXHFGZLY-UHFFFAOYSA-N	201.031	-0.926	50	10	BBGE	
CC1CCN(CCn2cc(B(O)O)cn2)CC1	723481545	TUEHPVHMJPQYLC-UHFFFAOYSA-N	237.112	-0.705	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)N1CCOCC1	730774297	ZFDBBPFDBDWNNT-UHFFFAOYSA-N	245.279	-0.516	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	823799270	NPFSMYZAIQCJRS-ZMONIFLSSA-N	213.237	-0.771	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843970144	BPBABVTTZXLGSP-VGMNWLOBSA-N	244.291	-0.280	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2COC(=O)N2)CC1	860503232	YABSDFUCXDKEPT-QMMMGPOBSA-N	221.216	-0.223	50	10	BBGE	
CC(=NNC(=O)C(N)=O)[C@H]1CCCCO1	863065810	JVGVAWPIQMWIAB-SSDOTTSWSA-N	213.237	-0.467	50	10	BBGE	
CCc1[nH]nc(Cl)c1C(=O)NNC(=O)CO	863903435	GWRUIHGOASMQML-UHFFFAOYSA-N	246.654	-0.621	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@H](C)CO1	900386230	NQLSJJBLXAQBPH-NKWVEPMBSA-N	215.253	-0.238	50	10	BBGE	
CN(CCCl)[C@H]1C[C@@H]2NNC(=O)N2CN1	953026841	NZBNZFWHVDVADZ-NKWVEPMBSA-N	233.703	-0.710	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H]1[C@H]2CCC[C@H]21	1116845568	VVLQFCKINDPWEJ-KVSKUHBBSA-N	241.247	-0.712	50	10	BBGE	
CO[C@H](C(=O)NNC(C)=O)[C@@H]1CCOC1	1261661066	FGDRUOHFQKWRCE-SFYZADRCSA-N	216.237	-0.795	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CCCn2ncnc21	1292010646	MZGTUNNDNKAAJR-LURJTMIESA-N	238.251	-0.884	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(O)nn1	1442474388	NOUZCXVVHNONHJ-UHFFFAOYSA-N	225.208	-0.902	50	10	BBGE	
C#CCC[C@H](O)CNCc1cccc(B(O)O)c1	1560991094	CBECJQFHVRKWHJ-ZDUSSCGKSA-N	247.103	-0.770	50	10	BBGE	
O=C(CBr)N[C@]1(CO)C[C@H](O)C1	1881409940	WSXONERGPFOBKV-IAQIWYKVSA-N	238.081	-0.617	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@H](O)C1	1882907756	RZIAHMSWWDJURE-BIIVOSGPSA-N	204.657	-0.455	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COCC(=O)NN	1886370287	JYKSAWAHVKBLFK-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
O=C(O)C1(NC[C@H]2C[C@H]2Cl)CNC1	1893006007	QHFWVQGEWNLCBL-PHDIDXHHSA-N	204.657	-0.370	50	10	BBGE	
NC[C@H](O)CCC(=O)NC[C@H]1C[C@H]1Cl	1893129432	VHROFMYUSMMSLZ-BWZBUEFSSA-N	220.700	-0.170	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893453891	RMPNGMAMXPNIHN-XUTVFYLZSA-N	219.668	-0.120	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@@H]2Cl)CC(=O)N1	1893469964	OASYSZFEYDVMCE-WHFBIAKZSA-N	216.624	-0.901	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)[C@@H](O)C(=O)O	1893475651	WJMNGYSMJCVYLI-SLPGGIOYSA-N	221.640	-0.436	50	10	BBGE	
CCc1nnsc1CN(C)CCC(=O)NN	1899686838	HRZPCKSTLGPMSJ-UHFFFAOYSA-N	243.336	-0.088	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)c1cn[nH]c1	1901338224	WKQCSJIMJQEVGL-UHFFFAOYSA-N	246.292	-0.274	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC[C@H]1CO	1901757876	WTGLTBQUVIXNNN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
COCCNC(=O)N1CC[C@](C)(B(O)O)C1	1902540810	JEZUNPWGTGOVTP-VIFPVBQESA-N	230.073	-0.719	50	10	BBGE	
C[C@H](C#N)CS(=O)(=O)N1CC[C@H](B(O)O)C1	1902548472	MOWFLVXJHKYBSC-SFYZADRCSA-N	246.097	-0.975	50	10	BBGE	
CC(=O)NNC(=O)COCC(C)(C)C(=O)O	1902700904	YUTJIMZIVFKULQ-UHFFFAOYSA-N	232.236	-0.719	50	10	BBGE	
N#CC1=CCN([C@]2(C(=O)O)CCNC2)CC1	1903762164	KGJJKBFXPVNRQW-LLVKDONJSA-N	221.260	-0.041	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@@H](F)C2)c(B(O)O)c1	1907079508	HQOGGOGEDMNLAL-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cc2C#N)cn1	1907410594	TXTFSSAULOUPNN-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCOC3)C2)CC1	1915590513	PZAQMMSCJQELKY-UHFFFAOYSA-N	225.292	-0.521	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)CC2(CC2)C1	1926419628	HXGMDYNBXXFQCE-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
Cc1ccnc(C(=O)NNCCO)c1C	1929838694	RLLXTJSYQPWQIP-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
C[C@@H](CN(C)CC(C)(C)CO)C(=O)NN	1931080535	KHJHOACYKHICGY-QMMMGPOBSA-N	217.313	-0.437	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1932261633	MFUPYQRWTKPNDY-FTYOSLGDSA-N	209.293	-0.046	50	10	BBGE	
CN(C)NC(=O)N[C@@](C)(C(=O)O)C(F)F	1932389921	XCLJZNGKPSWNLF-SSDOTTSWSA-N	225.195	-0.129	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089782	FJERDAYXPBIBLI-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
CS[C@@H]1CCCN(CCOCC(=O)NN)C1	1936530070	PHZMGWQBBNOVAR-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CCN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941081382	BCWVRUQJBGTSIK-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
CCOC[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941083274	OZAVPDRTMOXFOA-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
CCCNC(=O)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1941086496	IXPLMVLENFCDOJ-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
CCCNC(=O)CN(C)C[C@H]1C[C@H]1C(=O)NN	1941086497	IXPLMVLENFCDOJ-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1945548532	GNKOYQSZPPZYDZ-NHCYSSNCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1CC1(C(=O)NN)CC1	1945882743	MLSUSKUGSJUYSR-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN1CCC(CCn2ccc(B(O)O)n2)CC1	1946085142	BLEMREKFDNTPKE-UHFFFAOYSA-N	237.112	-0.705	50	10	BBGE	
O=C(c1ccsn1)N1CC[C@@H](B(O)O)C1	1951320181	FNJBRPKTIAWTAL-ZCFIWIBFSA-N	226.066	-0.168	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CONC1=O	1954239602	OHQZUFFRMSBIRK-WHFBIAKZSA-N	206.629	-0.450	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1COC[C@H]1O	1954504989	AEHXZHAFLQEAQC-RRKCRQDMSA-N	207.657	-0.120	50	10	BBGE	
O=C1C[C@@]2(CCOC2)N1S(=O)(=O)CCl	1955268196	BPUKMNSLZYZEMI-SSDOTTSWSA-N	239.680	-0.096	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCO[C@@H]1C(N)=O	1957175196	LCTQIJCHTHPUKK-SRQIZXRXSA-N	220.656	-0.627	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	1961240127	RFQNJTTZHJTEHF-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CCC(B(O)O)CC1	1964500028	GDKSKCORQUWTGQ-SNVBAGLBSA-N	240.112	-0.454	50	10	BBGE	
CCN(CCC(=O)NN)C1CCN(C)CC1	1976059790	KADMVJTZYCFHNM-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C=C[C@H]2C3)CC1	1976842825	YAMPQQXBRMGJBK-YUMQZZPRSA-N	221.260	-0.457	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H](C(=N)NO)C1	1978776818	RRLIUHDLLBXKSG-ZETCQYMHSA-N	229.284	-0.159	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	1979849400	ODNBLXOGQUBLRX-KXUCPTDWSA-N	231.340	-0.050	50	10	BBGE	
NNC(=O)CN1CCCC[C@H]1[C@H]1CCOC1	1981082481	KJBKJGJAHSJIQN-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
C#CCNC(=O)CNC(=O)NC(=O)CCCl	1988008863	YZELMSPMLDNJKY-UHFFFAOYSA-N	245.666	-0.810	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1CC(CO)C1	1990038505	HAOHWHZYMYQMLZ-XNWIYYODSA-N	229.324	-0.152	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1CC(Cl)C1	1991696090	FNNWGTGCQPTCBK-WRVKLSGPSA-N	249.459	-0.954	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CCCO3)(C1)C2	1993891186	NVKZGPCVQBWRIX-MGCOHNPYSA-N	227.264	-0.837	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1995937771	OGCKWNMVOCSYTF-MWLCHTKSSA-N	247.314	-0.059	50	10	BBGE	
C[C@@H](CN1CCO[C@@H](CO)C1(C)C)C(=O)NN	1997289994	NPCBJPNCGDKYLV-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CC1(C)[C@H](N)[C@@H]1C(=O)N1CCC(O)(C#N)CC1	1998074879	FHAYKDFCQRQERD-RKDXNWHRSA-N	237.303	-0.153	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)N1CCC1	1998341117	XSYPLNIHXOSIMX-UHFFFAOYSA-N	238.027	-0.257	50	10	BBGE	
C[C@@H](CN1CCC12CCN(C)CC2)C(=O)NN	2003959012	OYPNLONUSYOWGA-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
Cc1nnc([C@H]2CCCN2[C@@H](C)C(=O)NN)o1	2004409096	FQHASHUIUUVMDK-POYBYMJQSA-N	239.279	-0.107	50	10	BBGE	
Cc1nnc([C@H]2CCCN2C(=O)C(=O)NN)o1	2004410387	XWDXZBYQHRRHNX-ZCFIWIBFSA-N	239.235	-0.969	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCOC1CC1	2004933030	BGHOKLAPHGCGEE-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1cnc(Sc2nccn2C)c(B(O)O)c1	2004991823	VUSVTOAQZISAOV-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CCCC(=O)N1CCN([C@@H](C)C(=O)NN)CC1	2011419956	NMTBVUHUJMKVRT-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
Cc1nccn1CCOCCOCC(=O)NN	2012465465	MROMACUUWWBPPX-UHFFFAOYSA-N	242.279	-0.785	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1COCCOC1	2014501178	WEDKCJYHKGSERJ-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
Cc1nccnc1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2028050609	ILTSHXXPEHINLX-UWVGGRQHSA-N	249.318	-0.157	50	10	BBGE	
OB(O)c1ccc(F)c(OCc2cccnn2)c1	2029099305	CURGHRBXGQFCPT-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)Cc1cnco1	2052625205	XAFZQIPOSZSQFJ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C[C@@H]1C=CCC1	2055737446	HCEYEPYRWFLRNU-MRVPVSSYSA-N	244.063	-0.528	50	10	BBGE	
O=C(NCCc1cccc(B(O)O)c1)C1CCC1	2058062848	ANTWPTDVYHDCJH-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
Cc1cccc(Cn2cc(B(O)O)ccc2=O)n1	2058154189	CAGJREYDASMWGU-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
Cn1cnc(COCc2ccccc2B(O)O)n1	2080347614	UMPHBTQOCRPZRR-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)[C@H]1CCOC1	2211077933	JBSWAFXKJYLGNR-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@H](CO)C1	2211838578	IUCYWVHKYFEFQF-GUBZILKMSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H](CN1CC[C@H](OC(F)F)C1)C(=O)NN	2212386191	RUYAVBMXIALOLR-BQBZGAKWSA-N	237.250	-0.074	50	10	BBGE	
CC#CCCCN=c1cc(B(O)O)cc[nH]1	2212610372	HUWJSPKLKMNQES-UHFFFAOYSA-N	218.065	-0.601	50	10	BBGE	
CC=C1CCN(c2ncc(B(O)O)cn2)C1	2212610458	IZQAATJKBCWJNA-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215775233	ZSJJLCRRYFKTBV-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC[C@H](CO)C1	2215777016	QFGPVUFMRKMYJQ-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccno1	2216244779	ZZRNBTZQODKQRP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H]1CCOC[C@H]1Nc1ncccc1B(O)O	2217178191	SHDZAYWMWBZJFR-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
N[C@@H]1CCC[C@@H]1COc1ccc(B(O)O)cn1	2217184610	QIMCOBFMZZQKCF-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(N[C@H](C)C2CNC2)cc1B(O)O	2217184720	REZFABVYIURRFU-MRVPVSSYSA-N	235.096	-0.910	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)Nc1ccc(B(O)O)cn1	2217196465	FYSMYWYNSGSNDC-LDYMZIIASA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@]23CC3(F)F)c1	2217200771	AZAMLWDOVAWWPI-CBAPKCEASA-N	240.018	-0.029	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217202324	JPFKJUWKRAZUBF-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
CN(CC1=CCCOC1)c1cc(B(O)O)ccn1	2223631881	CBMZESDMKKCDHO-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCC[C@@H]2NCC3)c1	2223632334	IIXBWFHCGWRNMB-CMPLNLGQSA-N	247.107	-0.542	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@@H]2Nc1ncccc1B(O)O	2223632372	IVINWRHIESIDMZ-UBHAPETDSA-N	248.091	-0.666	50	10	BBGE	
CC1(C)CCNCCN1c1cc(B(O)O)ccn1	2223633485	XIEVEQZEYNMYSG-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
N#CCC1CCN(c2ncc(B(O)O)cn2)CC1	2223670482	YNQNFYKDXQVPBO-UHFFFAOYSA-N	246.079	-0.714	50	10	BBGE	
C[C@H]1C[C@@H](CNc2ncccc2B(O)O)CCN1	2223670822	DBNCIWFMRURJGZ-UWVGGRQHSA-N	249.123	-0.439	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@@H](O)CC1	2241592337	KFZVSUULPZIJQC-VGMNWLOBSA-N	223.700	-0.596	50	10	BBGE	
NOCC(=O)N[C@H]1C[C@H](Br)C1	2242412027	VYAVYWHGPLWEPA-URHBZAFASA-N	223.070	-0.081	50	10	BBGE	
CN(CCc1nccs1)C(=O)C#CB(O)O	2243356605	KKVHCFCNSRJWQO-UHFFFAOYSA-N	238.077	-0.841	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243356714	LZUDHOHYCOAKQJ-SVRRBLITSA-N	222.053	-0.777	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1occc1B(O)O	2243365273	KKXATCOGMQNQDR-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
CCONC(=O)c1cc(Cl)ccc1B(O)O	2243367735	XOZZRXPITFXDPB-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
CC[C@]1(C)CN(C(=O)C#CB(O)O)CCO1	2243400082	VRAVGNAMBOQYDL-SNVBAGLBSA-N	225.053	-0.971	50	10	BBGE	
O=C(N1CC[C@]2(CCO2)C1)C1(B(O)O)CC1	2243409195	CSTUZUABAULAAF-VIFPVBQESA-N	225.053	-0.615	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)C(C)(C)CO	2243409215	CYSRFPHISLQKFP-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)C1(B(O)O)CC1	2243409384	GZDQRKHYIDZYIR-BWZBUEFSSA-N	225.053	-0.856	50	10	BBGE	
CC1(F)CN(C(=O)c2occc2B(O)O)C1	2243411307	RFIKDPRACCYYMS-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)CCCO1	2244545928	DPBPHMYWVDQWID-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
Cc1ncc(C(=O)NCCC#CB(O)O)s1	2244546647	NZPBCPIYSQGRJA-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@@H](C)CN(C)C	2246816442	QVWLBHOMMNWPGK-QMMMGPOBSA-N	238.096	-0.601	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1coc(B(O)O)c1	2247735429	YQWMMBDRYKPULM-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2ccoc2B(O)O)C1	2247738706	USQUUTZQXMVELC-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]2C[C@@H]21	2247740983	SHWUKMALRSWKBO-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
CN(CC(F)(F)CC1CC1)C(=O)C#CB(O)O	2247742650	RRGCSAVCDZUJNH-UHFFFAOYSA-N	245.034	-0.104	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2247747243	KTQVNHFUBNYIDE-VXNVDRBHSA-N	236.080	-0.387	50	10	BBGE	
O=C(NC1CCCC1)c1ccc(B(O)O)cn1	2247768946	BIBZSAIKXYRTOD-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
O=C(NCC1[C@H]2COC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2247786163	WTPWSFXTMNAMRE-BKFJMODKSA-N	239.080	-0.752	50	10	BBGE	
CCCN(CCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247793366	XJDWTXJJKSRDOE-MGCOHNPYSA-N	243.112	-0.140	50	10	BBGE	
CC1(C)C[C@@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805118	JNJCONRLLTZORB-IWSPIJDZSA-N	240.112	-0.422	50	10	BBGE	
CCOC(=O)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808820	MRNICYWROVNFGV-ZKCHVHJHSA-N	243.068	-0.739	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1[C@H]2CC[C@H]1CNC2	2247809464	PHNMRNSQBIUVBV-QLEHZGMVSA-N	238.096	-0.798	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1coc(B(O)O)c1	2247868187	QFQXDLXQOQEQEA-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
Cc1ocnc1CNC(=O)C1(B(O)O)CCC1	2247873561	DLSSWIUFCRYLAB-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
O=C(NCCc1cc[nH]n1)C1(B(O)O)CCC1	2247878655	MBGYFMNWTGKTPR-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CCC2)[C@@H]2C[C@@H]21	2247879818	YAZRSFZNTZWEPF-DTWKUNHWSA-N	238.096	-0.702	50	10	BBGE	
N[C@H]1CC[C@@H](CCNC(=O)C2(B(O)O)CC2)C1	2247880341	ZIIOZRTVZFAVFO-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248578108	QFHJGHFVJJWJQO-BLOUUBGSSA-N	247.031	-0.833	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(C(=O)O)CC1	2248588035	YDSOZDZDEXMMHT-UHFFFAOYSA-N	241.052	-0.685	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(O)C(C)C	2248969797	JBSYLSPQKDMBKR-UHFFFAOYSA-N	238.052	-0.690	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H](C)CF	2248970706	YKMMUWOCAKBHCY-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NCCC#CB(O)O	2249999491	WKBIVNBUDYIKMH-VWYCJHECSA-N	235.092	-0.056	50	10	BBGE	
CC1(OCc2ccc(C(=O)NN)nc2)COC1	2250804042	FWBFMCADCPWRJS-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C(=O)[C@H]2CCC[C@@H]21	2255466464	ZCKLXISVXONLGP-BQBZGAKWSA-N	249.031	-0.890	50	10	BBGE	
Cc1ccc(NC(=O)c2ccc(B(O)O)o2)cn1	2255468055	VQRDGLWBMUFCJD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2255506524	SDZHHXNRGWSZLJ-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC2(CCC2)C1	2255508474	NGGKYVWWIOGGEW-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1c[nH]nc1B(O)O	2255555109	WKMMLBRDMYQYBO-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
CN(Cc1ccc(=N)[nH]c1)C(=O)[C@H]1C[C@@H]1B(O)O	2255571514	PKLQKAWBKFUQST-IUCAKERBSA-N	249.079	-0.685	50	10	BBGE	
Cc1cc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)ccn1	2255571864	SJQXVCHWYFHPHY-MNOVXSKESA-N	248.091	-0.088	50	10	BBGE	
Cc1cccc(C(=O)NC2(C)COC2)c1B(O)O	2255685956	JQDYDOFDFJHHKU-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@@H]1C[C@H]1C	2257491361	MAUAFICAKFGTBO-APPZFPTMSA-N	248.091	-0.544	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258132340	GYOVUYWIYYIOLQ-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
Cc1cnc(N[C@]23COC[C@H](C2)C3)cc1B(O)O	2260236391	WJXFKUKVOWZOJR-OTCDBFHCSA-N	248.091	-0.339	50	10	BBGE	
CN1CCC[C@@H](COC[C@@H]2C[C@H]2C(=O)NN)C1	2298084882	XVRGOYWUVAKZIA-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC=C[C@@H](O)C1	2300362786	GGAJDOKZFCMMJZ-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1	2303122309	CNHUVIRGSUSQIC-MRVPVSSYSA-N	237.068	-0.004	50	10	BBGE	
CC[C@](C)(CN1C(=O)CCCC1=O)C(=O)NN	2303437093	HQDQLEWYPMKRDY-LLVKDONJSA-N	241.291	-0.068	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1cc(B(O)O)c(F)cn1)C2	2303834312	DAZLPSPUHYVOHK-HQJQHLMTSA-N	236.055	-0.253	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1c1cc(B(O)O)ccn1	2314226042	MYMRACDIIGGKGA-WDEREUQCSA-N	248.091	-0.723	50	10	BBGE	
C[C@H]1Cc2ccccc2N1C(=O)C(=O)NN	36948089	NYDAOZXYURYVFY-ZETCQYMHSA-N	219.244	-0.046	50	10	BBGE	
CNC(=O)CCNC(=O)NC(=O)[C@@H](C)Cl	45014425	MZWADUDGJZTYCY-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H](C)CCC[C@H]1CN	70156479	VSQMKAWIQWJTPK-WPRPVWTQSA-N	242.323	-0.645	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)[C@H](C)CO1	82467589	BIPCGOPLWWDRNW-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc([N+](=O)[O-])cn1	82468322	RCAFBVCNJMAQJB-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
NNC(=O)CCCN(CCO)C1CCCC1	82470091	LMOKWKGOSMFJJL-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
COCCOCCNS(=O)(=O)CCl	82513171	WKXKINGYYAPKBT-UHFFFAOYSA-N	231.701	-0.235	50	10	BBGE	
NNC(=O)CN1C(=O)C(=O)c2cc(F)ccc21	110599085	QXRLESFYNRENPU-UHFFFAOYSA-N	237.190	-0.655	50	10	BBGE	
NNC(=O)C(F)(F)Oc1ccc(C(N)=O)cc1	113169275	HXMCINOWTASIIP-UHFFFAOYSA-N	245.185	-0.253	50	10	BBGE	
C[C@@H](CO)N(C)CC(C)(C)C(=O)NN	125433561	YMNWVKNZQWJNBK-ZETCQYMHSA-N	203.286	-0.685	50	10	BBGE	
N=C(N)c1cc(C(=O)NN)ccc1C(=O)O	143560061	KXUFQRKDDRBNLS-UHFFFAOYSA-N	222.204	-0.728	50	10	BBGE	
CC[C@H](NCCN)[Si](OC)(OC)OC	196801406	GVVNVWMBOHQMEV-MRVPVSSYSA-N	222.361	-0.269	50	10	BBGE	
N[C@H]1CC=CC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	196825646	SMODZDWDAYGSIG-GUBZILKMSA-N	238.096	-0.717	50	10	BBGE	
OB(O)c1cnc(-c2ccncc2)nc1	198019780	IWHBGIBSEVZOHA-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
CC(=O)N[C@@H]1CCN(CCCCC(=O)NN)C1	228341898	JGSSCHSUASYMDE-SNVBAGLBSA-N	242.323	-0.643	50	10	BBGE	
C[C@H](CN)SC[C@H]1CC[C@@H](C(=O)NN)O1	228867851	HUPPUCCAYIUIGL-PRJMDXOYSA-N	233.337	-0.396	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C1=COCCC1	276221712	IKIOWBPFBCJDSX-UHFFFAOYSA-N	228.248	-0.401	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)C[C@H]1CN	300036252	BKDCROWPNFNYRC-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
Nc1cc2cc(B(O)O)cc(O)c2s1	306650615	BZIREBNPDCEHAE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1csc2c(O)ccc(B(O)O)c12	306716506	FVXQHRHRMSYJLN-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1ccc(C(F)(F)F)c(F)n1	307043633	UZMCGOABTISDLA-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
Nc1ccc2cc(B(O)O)sc2c1N	307089970	PDBORGFCIQVJRB-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCN1CC(NC(=O)NC(=O)CCl)C1	307195813	SCTCIBGVWCQIPC-UHFFFAOYSA-N	219.672	-0.245	50	10	BBGE	
OB(O)c1cccc2sc(O)c(O)c12	307630002	WAZSCMWWJHYWQL-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COCCS(=O)(=O)N[C@@H]1COC[C@@H]1Cl	323486958	BAZCCBKRYJAMAD-NKWVEPMBSA-N	243.712	-0.442	50	10	BBGE	
CNC(=O)CC1CN(C(=O)CBr)C1	382197373	PCIWUWKHNCZNDJ-UHFFFAOYSA-N	249.108	-0.024	50	10	BBGE	
NC(=O)N1CC[C@@H](N=c2[nH]nc(CCl)o2)C1	393186667	PRBDSKQJNKAAAI-RXMQYKEDSA-N	245.670	-0.205	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CC[C@@H]1O	394418860	NPMQUWQRAZLYMC-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1C=O	396054904	RMPYTZCMKKEMDE-UHFFFAOYSA-N	203.006	-0.365	50	10	BBGE	
CSSCCNCCS(N)(=O)=O	397874589	LEZZKIFMCYHECP-UHFFFAOYSA-N	230.380	-0.124	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC[S@@](C)=O	399896255	JCVBAORTUIEXHM-NXSYQRQQSA-N	221.326	-0.935	50	10	BBGE	
NNC(=O)CCN1CCC(F)(F)[C@H](CO)C1	403204454	CGKTZVAJPSAIDL-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
CC[S@@](=O)NCc1cc(B(O)O)ccc1F	404913061	OFORTCVSVKNJPX-MRXNPFEDSA-N	245.084	-0.721	50	10	BBGE	
COCCCC(=O)Nc1ccccc1B(O)O	404938615	JQNKQUWRYSYJEV-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
CCN1C(=O)N[C@@H]2NCN[C@H](Cl)[C@H]21	575624995	DQOCXPFBSXGPOG-SRQIZXRXSA-N	204.661	-0.559	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1[C@@H](C)C(=O)NN	688638297	HPUBVTYLFXTMAC-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CC(N)=O)C1	700642705	VBQKHNJJURFDAT-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)C[C@@H]1CO	705322665	JXASGYSCQKBSAX-NXEZZACHSA-N	237.727	-0.226	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706302124	OVAQQLVEWSBNGM-OUAUKWLOSA-N	240.351	-0.506	50	10	BBGE	
COCCOC1CN([C@@H](C(=O)NN)C(C)C)C1	707347816	WACRWHHGWFZBIN-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)c1cnn(C)n1	717323498	SQNGWHHLYRHODY-SSDOTTSWSA-N	245.714	-0.286	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H](CN)C1	722378100	CRMZBMWXTCNIRR-RNJXMRFFSA-N	220.700	-0.218	50	10	BBGE	
NNC(=O)C1=C(Br)SC[N]1	725597735	JHBMEXNVKJKUSN-UHFFFAOYSA-N	223.075	-0.151	50	10	BBGE	
O=C(NNC(=O)[C@@H]1COCCO1)C1=CCC1	779969074	BTDZATSYKUFTNL-QMMMGPOBSA-N	226.232	-0.731	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)[C@H]1CCCO1	817216370	XKTVCOKTHGXUPP-NKWVEPMBSA-N	211.221	-0.528	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CC1)[C@H]1CCCO1	854636115	DYCARSLWXRSQSP-HTQZYQBOSA-N	228.248	-0.916	50	10	BBGE	
Cc1nnc(NNC(=O)C(C)(C)O)n1C	856046728	PFPPOMYGBFHWQL-UHFFFAOYSA-N	213.241	-0.662	50	10	BBGE	
COC(=O)C(=O)NN=Cc1nccn1C	1116198785	ZHUWQJMJUDDPOZ-UHFFFAOYSA-N	210.193	-0.957	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccnnc1	1328418157	UYEGDQHSJZCIKA-BRPSZJMVSA-N	248.242	-0.870	50	10	BBGE	
COCc1nn(C)cc1C(=O)NN(C)C(N)=O	1446333219	HWMPRFUNOSUKCS-UHFFFAOYSA-N	241.251	-0.778	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)N(C)C	1597966268	OVXGVSSHRVZZHB-SSDOTTSWSA-N	213.237	-0.673	50	10	BBGE	
CNC(=O)NNC(=O)c1noc2c1COCC2	1626583166	UHHKHRLCOKHLJY-UHFFFAOYSA-N	240.219	-0.679	50	10	BBGE	
CN(N)C(=O)C#CCNC(=O)OC(C)(C)C	1879957966	LHOPJYDUWOIFBB-UHFFFAOYSA-N	227.264	-0.153	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1883634841	OXOYRVZTZSLCTG-JKUQZMGJSA-N	202.641	-0.382	50	10	BBGE	
Cc1ncnc(SC2CC2)c1B(O)O	1885052397	KPQGLRDMHUQMPB-UHFFFAOYSA-N	210.067	-0.281	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1C[C@H]1C(=O)NN	1886080188	YBDCGXONIWCWDG-BIIVOSGPSA-N	202.254	-0.336	50	10	BBGE	
O=C(NCC=CB(O)O)c1cncs1	1892923461	GMDALVWLVHAEJY-UHFFFAOYSA-N	212.039	-0.559	50	10	BBGE	
CS(=O)(=O)N1CC(NC[C@H]2C[C@H]2Cl)C1	1893105973	CFGLYPAXZCVOBD-HTRCEHHLSA-N	238.740	-0.153	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1Cl	1893470475	UAVIJWQCOVHBBT-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H](Cl)C#N)C[C@@H]1O	1894992859	TURDENJJOGZHLO-CIUDSAMLSA-N	218.684	-0.065	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC(=O)CCl	1895209332	HBUUALNCYYSPKB-RITPCOANSA-N	247.682	-0.295	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@@H]2C[C@@H]21	1900466116	BBLZADBXAWAPBB-VDTYLAMSSA-N	238.077	-0.943	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC=CC1	1901201306	CHBCVCSVUMAHKE-UHFFFAOYSA-N	214.033	-0.386	50	10	BBGE	
CN(NC(=O)c1cncc(O)c1)S(C)(=O)=O	1901360852	XZIFVYGQKDWOLC-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@]1(N)C[C@@H]1C	1901377740	SCQAYIGWVURZOY-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
C=C(COCC1CC(S(C)(=O)=O)C1)B(O)O	1905111140	RDUXKUUFDFSNDP-UHFFFAOYSA-N	248.109	-0.606	50	10	BBGE	
C[C@H](CC(=O)NN)n1cnc2c(c1=O)CCC2	1905542546	CNKXANSCHPZERE-SSDOTTSWSA-N	236.275	-0.327	50	10	BBGE	
C[C@@H]1C[C@H]1CCCOc1ncncc1B(O)O	1908600848	NHVRXVPKPXKXQP-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
CC[C@H]1CC(=O)N(C[C@@H](C)C(=O)NN)C1	1912237148	OXVWFIBYLVZCMW-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC2(COC2)C1	1915566586	DQMIMCUFDKAPFY-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C(=O)NN)C(C)(C)C	1916202913	SVINTNZWUDNMCO-YUMQZZPRSA-N	244.339	-0.543	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CC[C@H](O)C1	1923209275	QLBHUPPWULSZJM-UHNVWZDZSA-N	240.181	-0.143	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN(CC(=O)NN)C[C@H]21	1930162993	BLOFTHGSGFZFJM-IWSPIJDZSA-N	213.281	-0.809	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(CCC(=O)NN)C[C@@H]21	1935841263	ZUVCRUSQBATOCA-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1CCCCC[C@H]1NC(=O)C(=O)NN	1935959862	KXWSFKXBFQIDIM-HTQZYQBOSA-N	229.280	-0.560	50	10	BBGE	
CC[C@@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090611	ZWHWYPGWJLSJGH-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)CC(C)(C)O	1936094265	LPWGFCDIQSSIIN-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CCCO	1941085498	DIECXQBSYVHAPY-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccn(C2CC2)c1=O	1941090413	ZPKQDJOQHABZKD-APPZFPTMSA-N	236.275	-0.389	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)CCOCC(=O)NN)CO1	1941775876	QMRMYTPZAWBGFB-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COC[C@]1(OC)CCN(C[C@@H](C)C(=O)NN)C1	1946475491	TWKBXAUSPRAEID-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
CSC[C@@H](NC(C)=O)[C@H]1CC(=O)OC1=O	1951514735	RQJKJEGPXCKZQT-RNFRBKRXSA-N	231.273	-0.056	50	10	BBGE	
CS(=O)(=O)CC1(C[C@H](N)[C@H](O)C#N)CC1	1952835980	HAFAIGJKZVFEHM-JGVFFNPUSA-N	232.305	-0.587	50	10	BBGE	
NC(=O)[C@@H]1COCCN1CCCCl	1954823158	BRCCNCKIQPDGRV-ZETCQYMHSA-N	206.673	-0.199	50	10	BBGE	
CON1CC[C@H](NS(=O)(=O)CCCl)C1	1956988247	VPYSKMJUXAESDR-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@@H](O)C1	1960247176	IJIMDQNKXGZHSJ-DJLDLDEBSA-N	213.281	-0.766	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CO)C[C@H]1C	1961683413	IBCANJMIOSWFLB-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC(O)C2)C1	1962115122	OSWQCURDSDSDFU-JEUQWKINSA-N	213.281	-0.788	50	10	BBGE	
O=C=N[C@H]1COCCN1S(=O)(=O)CCF	1974880495	NRXFVYMNEYJENB-SSDOTTSWSA-N	238.240	-0.720	50	10	BBGE	
CCN(CCCCO)[C@H](COC)C(=O)NN	1976236943	IXAGTQCHAULHBR-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217671	WHTXFUBSAUOJAR-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CC[C@H]32)nc1	1981413264	DNYNIGIVWJWPAX-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CCC2)n1	1981468634	GBEAFPRAVPIFFW-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
C=C(CN1C[C@H]2[C@@H](OC)CC[C@H]2C1)B(O)O	1992160096	RRIZXZWWBPRDOQ-AXFHLTTASA-N	225.097	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1[C@H]2CO	1994019644	ICPYPYDGQXFPMK-MBXMOIHESA-N	227.308	-0.687	50	10	BBGE	
CC(C)(C)OC[C@@H]1CCCN1C(=O)C(=O)NN	1996850514	SZVMYLLAAWXHRX-QMMMGPOBSA-N	243.307	-0.218	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC(N(C)C)C2)C1	2000465929	JIVAZJPPWAKJLS-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
Cc1nc(N2CCC(F)(F)C2)ncc1B(O)O	2004975119	UPRBYVKSYFTWRE-UHFFFAOYSA-N	243.022	-0.690	50	10	BBGE	
CO[C@]1(C)C[C@H]2C[C@H]1C[C@H]2NC(=O)C(=O)NN	2012974109	BPNZRWBNJJTKOF-FBSDJGSXSA-N	241.291	-0.704	50	10	BBGE	
CO[C@]1(CN(C)CCCC(=O)NN)CCOC1	2013415990	TZQYHHDCHWAVID-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013925577	JMDQHVKMNKQEKG-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
CCN(CC)CCN(C)CC(=O)NNC(C)=O	2019206954	AZUOEZFOLZSUMB-UHFFFAOYSA-N	244.339	-0.573	50	10	BBGE	
NNC(=O)C12COC(CN3C[C@@H]4C[C@H]4C3)(C1)C2	2023853358	LPOLNONVJJIMSR-CRRMYELQSA-N	237.303	-0.523	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]21	2040764808	HYZOYTPFDBYWFB-ZQARSLAVSA-N	247.063	-0.859	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCCC[C@H]21	2052467219	OBMFQIKGXRXNRO-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
Cc1ccnc(N(C)[C@H]2CCN(C)C2)c1B(O)O	2052472707	NOAKLEUZLQUGKU-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3CCO[C@@H]3C2)n1	2052554621	XFLMNZYXJFEABZ-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC(C2CC2)C1	2056658510	ZKEBBFBUNRWULI-UHFFFAOYSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2071021098	CRPOCQKZAKWVNF-MFOSBRBKSA-N	246.075	-0.563	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cccc(O)n1	2076077738	BHMBEXDWTVBLNN-MRVPVSSYSA-N	248.047	-0.382	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn(C2CCC2)n1	2076082761	XDBOMACEUXWDRP-UHFFFAOYSA-N	249.079	-0.094	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3COC[C@@H]32)n1	2077844623	NLBYSLZCZNCWEW-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
O=C(NOC1CCCC1)c1ccccc1B(O)O	2079010613	RCUPJUVQUHSBAH-UHFFFAOYSA-N	249.075	-0.030	50	10	BBGE	
CNC(=O)Nc1ccc(OC)cc1B(O)O	2211849191	BNTDVYNBUAFGIP-UHFFFAOYSA-N	224.025	-0.874	50	10	BBGE	
C[C@@H](N)[C@@H](C)Nc1nccc(B(O)O)c1F	2212606013	MZOZLBMNWJOPSN-PHDIDXHHSA-N	227.048	-0.952	50	10	BBGE	
CO[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C1	2212612549	LTUZFNYENGMZOA-KYZUINATSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]2C(F)F)[nH]c1	2217171860	GAVOQPQQSBZAHX-POYBYMJQSA-N	242.034	-0.504	50	10	BBGE	
COC(C)(C)CCN=c1ccc(B(O)O)c[nH]1	2217172013	GQXNALPSOUGITG-UHFFFAOYSA-N	238.096	-0.590	50	10	BBGE	
Cc1cnc(O[C@@H]2CCCNC2)cc1B(O)O	2217173614	PLATYOPGHUAMRK-SECBINFHSA-N	236.080	-0.799	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3CC[C@@H]32)nc1	2217176432	WGWXFRVEJJALQB-FKTZTGRPSA-N	233.080	-0.243	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCC[C@@H](O)C2)nc1	2217176848	BDVGRCVXQKVTRI-NXEZZACHSA-N	236.080	-0.523	50	10	BBGE	
C[C@H]1COCC[C@H]1Nc1ccc(B(O)O)cn1	2217196204	QODUQJPDBVWKMG-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@H]1CNC[C@H](Nc2ccc(B(O)O)cn2)C1	2217199153	KKITVPXDPBBVLH-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CC[C@@H]1O	2220059910	TZQUELAEBRKEMS-GWCFXTLKSA-N	249.119	-0.431	50	10	BBGE	
C[C@@H](N)C1CCN(c2cc(B(O)O)ccn2)CC1	2223624711	AYLUXBFRPOCNCE-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@H](C2)N1c1ccc(B(O)O)cn1	2223643410	VRDMAFAWFPGKRK-JMJZKYOTSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ccc(B(O)O)cn2)CCN1	2223652421	JBUUEYXQJHLSMS-NXEZZACHSA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCNCC2)c1	2223671598	OKIUDCRXXMDIRB-JTQLQIEISA-N	249.123	-0.437	50	10	BBGE	
Cn1ncc2c1CN(c1cc(B(O)O)ccn1)C2	2223677404	NOTAPPHBHSWCOK-UHFFFAOYSA-N	244.063	-0.985	50	10	BBGE	
CC(C)C1CC(CN=c2ncc(B(O)O)c[nH]2)C1	2223677470	OIWRXYXWCZWSIJ-UHFFFAOYSA-N	249.123	-0.328	50	10	BBGE	
CN(C)NC(=O)[C@H]1NCCOC1(C)C	2241262349	ZOKVRVUOAPKVAJ-SSDOTTSWSA-N	201.270	-0.654	50	10	BBGE	
N#CCNC(=O)CN[C@H]1C[C@H](Cl)C1	2241663600	HHAHXLKQLIKTCY-LJGSYFOKSA-N	201.657	-0.014	50	10	BBGE	
CO[C@]1(CSCC(=O)NN)CCOC1	2241673976	KYSXRJAVBKDLPY-MRVPVSSYSA-N	220.294	-0.485	50	10	BBGE	
C[C@H](CCl)C(=O)n1c(=O)cc(O)n(C)c1=O	2243048928	ODVXUPIDYQFHQT-RXMQYKEDSA-N	246.650	-0.232	50	10	BBGE	
CC1(F)CN(C(=O)c2ncsc2B(O)O)C1	2243359923	YGYAQIVEGGBXMJ-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
CCONC(=O)c1ccc(Cl)cc1B(O)O	2243367259	QDDOCBYVRVGEPF-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
O=C(N1CC[C@@H]2C[C@@]2(F)C1)C1(B(O)O)CC1	2243369316	RSTFYIZMXPBDJE-GMSGAONNSA-N	227.044	-0.046	50	10	BBGE	
O=C(NC1CC(F)C1)c1sccc1B(O)O	2243375461	UASGXTMCSYNTDJ-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
CCC[C@@H](CN)NC(=O)C1CC(B(O)O)C1	2243390709	ABBAQWHNWVQOED-HACHORDNSA-N	228.101	-0.517	50	10	BBGE	
CC[C@](C)(CO)NC(=O)C1(B(O)O)CCC1	2243411602	XBBJOBLPMSDJSP-SECBINFHSA-N	229.085	-0.339	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)[C@H]1C[C@@H]1B(O)O	2243415507	WOVPBZGYSNDNKS-BQBZGAKWSA-N	221.065	-0.092	50	10	BBGE	
O=C(NC1CC2(CSC2)C1)[C@@H]1C[C@@H]1B(O)O	2243426447	IHOXJKMLUYPBQN-SFYZADRCSA-N	241.121	-0.139	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)co1	2244221484	MNYVOAYYRSKKPR-QMMMGPOBSA-N	223.037	-0.512	50	10	BBGE	
O=C(Nc1ncco1)c1ncsc1B(O)O	2245941502	XIEICRSRZBDQCD-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
Cc1nc(N2O[C@H]3CC[C@H]2C3)ccc1B(O)O	2247072840	WRBPWMVVGROWDG-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
CCC1CN(c2nc(OC)ccc2B(O)O)C1	2247153307	TYFTYMBLFPCSFT-UHFFFAOYSA-N	236.080	-0.384	50	10	BBGE	
COC1(COc2cc(B(O)O)ccn2)CCC1	2247369357	PHZIXROJCSVHBS-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@@H]1OCC2	2247742262	MOWWGDUOHFMSPE-GXSJLCMTSA-N	237.064	-0.923	50	10	BBGE	
CCCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247747688	RCTCKRBIHVUJRY-UHFFFAOYSA-N	238.096	-0.045	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cc1F	2247750479	KCBDRBOHGMXYFG-XNCJUZBTSA-N	238.027	-0.961	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@H]2F)c(B(O)O)c1	2247752234	LJYKUOAMPRWAIK-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)N1C	2247753214	CVPCWXVKKHOLTI-DTORHVGOSA-N	240.112	-0.456	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CC[C@@H](O)CC1	2247753300	FDNAAEMZSHEYNT-DTORHVGOSA-N	241.096	-0.245	50	10	BBGE	
CC(C)[C@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2247754753	FLOLSSABQZSDGU-VIFPVBQESA-N	242.128	-0.304	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)cn1C	2247759885	YCMVGCGCRZAJOQ-ZETCQYMHSA-N	242.059	-0.817	50	10	BBGE	
C#CCN(C)C(=O)c1cccc(B(O)O)c1C	2247760217	DOGVIXRQLDIIAZ-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)n(C)n1	2247791173	KJHIAIQJZUNKDV-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CN(CCOCC1CC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247800381	OKHXPLKUOPRAKO-NXEZZACHSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2247807710	IWVWNKQFQFYLSI-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CN(CCn1cccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247808278	UGUAALBZHWLNNK-RKDXNWHRSA-N	237.068	-0.796	50	10	BBGE	
CC(C)N(O)C(=O)c1cccc(B(O)O)c1F	2247876051	IEIBDAVMHNMDMK-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1occc1B(O)O	2247877880	FWVUARYHLUNEHA-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CN(Cc1cncn1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247886606	DJIFPUGXSRNSSG-BDAKNGLRSA-N	237.068	-0.759	50	10	BBGE	
CCOC(=O)CCNC(=O)C1CC(B(O)O)C1	2247892531	CKZBVIOBRXQDQU-UHFFFAOYSA-N	243.068	-0.691	50	10	BBGE	
CC(C)[C@@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247899300	MEIGZNAABUQIHL-QXEWZRGKSA-N	243.112	-0.237	50	10	BBGE	
C[C@@]1(CCO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247909315	IAKWYRDOHNRRSC-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248577696	OGJZKXKWHVMRND-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
CCC(CC)(CNC(=O)C#CB(O)O)C(=O)O	2248585540	NGWLLNWLJGYWDB-UHFFFAOYSA-N	241.052	-0.991	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2249412094	UXSWNCNRJNTWQT-RNLVFQAGSA-N	235.048	-0.512	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CCC1	2251034599	YJXGBTJEVDIFEV-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2251041001	YEWUXASDFURURV-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(C2CCC2)C1	2255489888	ZURMNAPTQAAADG-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC=CCN1	2255508801	DHUDEULKPYJSIJ-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(C)cc1B(O)O	2255510335	VQLCCNZCGQKQRC-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC12CCC2	2255519118	SZYNHVXIEFDKIF-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
Cc1cnc(C(=O)NC[C@H]2C[C@@H]2C)c(B(O)O)c1	2255557091	ZKTPYWFFJBUYNM-DTWKUNHWSA-N	248.091	-0.544	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1ccoc1B(O)O	2255723240	ZVUGHPXJYRWDLA-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(C)ccc1B(O)O	2255736519	OVNLZJXKZPYQBH-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(F)cc2B(O)O)C1	2255748852	JUKRBTOHBQYUHY-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CC=CC[C@@H]21	2258123128	LHPJIGWJWDNTHG-KWQFWETISA-N	247.059	-0.250	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258128643	RKDYYTUBVJQVII-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368893	BEBAIHSJKPTKRW-QEYWKRMJSA-N	239.080	-0.610	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2298369467	VOJFPOIPSMRQGL-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C12CC(CO1)C2	2298377616	XZKTUKVCXWNKSR-BOGUDOAGSA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H]2COC[C@H]21	2300374170	SYWQKNASQUXVNI-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@H]2C[C@@H]2C1	2301340643	GTNGTGRHTWXNKU-NXEZZACHSA-N	228.060	-0.306	50	10	BBGE	
COC[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301420491	GQMNWRBPYJPZRO-QMMMGPOBSA-N	238.048	-0.407	50	10	BBGE	
O=Cc1ccc(N2CC[C@H]3C[C@@H]32)cc1B(O)O	2301422065	CTDVCFCSJWOADG-UFBFGSQYSA-N	231.060	-0.223	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302189456	ZAVXMIMBEYNSHY-GENCIFFESA-N	239.080	-0.515	50	10	BBGE	
OB(O)c1cc(N2CC3(F)CC2C3)ncc1F	2303834372	DYVUDUZSXDHYTI-UHFFFAOYSA-N	240.018	-0.409	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1cc(B(O)O)c(F)cn1	2303834737	KWHRMUBHJIFOQU-SVRRBLITSA-N	242.034	-0.305	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](Nc1ccc(B(O)O)cn1)C2	2313123494	FFDSTUNMSZWVMX-HOSYDEDBSA-N	248.091	-0.259	50	10	BBGE	
C[C@]1(N)CCN(c2ccc(B(O)O)cc2C#N)C1	2317163416	XLQPWTGQVBFBIE-LBPRGKRZSA-N	245.091	-0.834	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C[C@H](CN)C1	2317212536	VWYJDTFNECUIEX-JLIMDTESSA-N	246.075	-0.646	50	10	BBGE	
C#C[C@@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317309191	QLPFALVWOKJBQB-LLVKDONJSA-N	243.071	-0.219	50	10	BBGE	
N#C[C@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317313203	SZEDZEWOAQCZAX-SECBINFHSA-N	244.059	-0.471	50	10	BBGE	
O=C(CCCl)N[C@H]1CCS(=O)(=O)C1	19263767	SENJXVGSFULLOY-LURJTMIESA-N	225.697	-0.081	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)CCCl	37226249	IKKJLDQGPCZFFJ-YFKPBYRVSA-N	209.629	-0.735	50	10	BBGE	
O=C(O)CC(=O)NNC(=O)CCCl	44225901	QOOMKPGERPKCSM-UHFFFAOYSA-N	208.601	-0.763	50	10	BBGE	
CCCCN(CCO)[C@@H](C)C(=O)NN	82469728	LFTKMQWJHLFQBQ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
COC(=O)CS[C@@H](C)CC(=O)NN	82472461	GPRUEHXQEYXWBK-YFKPBYRVSA-N	206.267	-0.339	50	10	BBGE	
CC[C@H](Sc1n[nH]c(N)n1)C(=O)NN	82472942	RINTXIBBFTWZHC-VKHMYHEASA-N	216.270	-0.753	50	10	BBGE	
COc1nc2c(nc1OC)C(=O)OC2=O	106852777	WGSNIPMGRSVXAW-UHFFFAOYSA-N	210.145	-0.196	50	10	BBGE	
C[C@@H]1COCCN1Cc1cccc(B(O)O)c1	199008106	UTLNKXRQWAUMEE-SNVBAGLBSA-N	235.092	-0.413	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCN1C	199376188	DCOYSINEDPXSIY-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)CCCO1	203132500	PLHHNWAPTFRUBY-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
NCCC[C@H](NC(=O)CCl)C(=O)O	226255194	ZBTAKEQYWPUSSX-YFKPBYRVSA-N	208.645	-0.467	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCCCO	227147583	XAPKJYMTCGYMFC-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
Cc1nn(C)cc1N1CC(=O)OC(=O)C1	227514367	NGQLLDOEZJTWOE-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC1CC1)C1CC1	232420333	AIZZDLOADQEWQS-JTQLQIEISA-N	227.308	-0.134	50	10	BBGE	
COCCOCCCOCCC(=O)NN	234738092	BOUHAQJEZNQYHY-UHFFFAOYSA-N	220.269	-0.564	50	10	BBGE	
CO[C@H]1CC[C@@H](N2CC(=O)OC(=O)C2)C1	235006227	SRANJHITKGIPPM-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
NNC(=O)c1cccc2c1NCC(=O)N2	238567438	SXGDFAUZJFCRSE-UHFFFAOYSA-N	206.205	-0.346	50	10	BBGE	
COCCN([C@H](C)COC)[C@H](C)C(=O)NN	250968965	DDJQIPMAATWVBR-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)OC[C@H]1C	251776596	MRTYGCRAILOUCR-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1C[C@H](C)O	306108638	SMSMOUJOACRKQO-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
Cc1cc(C(=O)O)c(C)n1CC(=O)NN	308883483	VBIQPLISQGQPIU-UHFFFAOYSA-N	211.221	-0.207	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](OC)C[C@@H]1CO	310117695	HMIFMUOMEDPODF-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](C)N(CCO)[C@@H](COC)C(=O)NN	380610206	XVTZFDBYRZOUGZ-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=N[C@@H]2C[C@H]2CO)[nH]1	382296893	MJHHBPSEWCSOIV-NGJCXOISSA-N	243.698	-0.201	50	10	BBGE	
CN(C)c1ncc(B(O)O)cc1C(F)(F)F	393844100	XNIMUWDGKMXBMA-UHFFFAOYSA-N	233.986	-0.154	50	10	BBGE	
COC(=O)CCc1ccc(O)cc1B(O)O	396057120	MJTVVNRMZXUZLU-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
O=CCCc1cc(/C=C/C(=O)O)cc(B(O)O)c1	396133557	QDJAMJQDWFHCNQ-ONEGZZNKSA-N	248.043	-0.404	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@@H](C)[C@H](C)C(=O)NN)C1	401528160	GTZAGCVEWPEJAO-AATLWQCWSA-N	229.324	-0.296	50	10	BBGE	
CC1(CC(=O)Nc2cccc(B(O)O)n2)CC1	405013295	SCVXVFFHWALWNK-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1	585037660	GIGJBLUUKNHXPA-GWCFXTLKSA-N	249.119	-0.119	50	10	BBGE	
NNC(=O)C(F)(F)CSCCC(N)=O	685956654	YBJSFAYPRAETMM-UHFFFAOYSA-N	227.236	-0.780	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)CC(C)(C)C	689945672	OWSREIULJSRQOS-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1N=C=O	693473636	FVHKCWFVXXXZAL-BDAKNGLRSA-N	247.320	-0.161	50	10	BBGE	
C[C@@H](CN1CC(N2CCCCC2)C1)C(=O)NN	697751356	QXUVOCWQSKJDBK-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnccn1	700074250	FGGHMGHZDFGSKW-SSDOTTSWSA-N	209.253	-0.713	50	10	BBGE	
CC[C@@]1(C)NC(=O)N(CC(=O)N(C)N)C1=O	704705004	CYSYDFZBZTZUGW-SECBINFHSA-N	228.252	-0.961	50	10	BBGE	
CN(C(=O)c1cnn(C)n1)[C@@H]1COC[C@@H]1Cl	709091758	ZXJXUCJXPLFILQ-POYBYMJQSA-N	244.682	-0.107	50	10	BBGE	
O=C(CCCl)NCC1(CO)COC1	717597868	JQHGPITVEJTZGP-UHFFFAOYSA-N	207.657	-0.260	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718900213	ABWBCIWXCFREHM-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
CC(C)[C@@H](F)C(=O)NNC(=O)c1cn(C)nn1	855186914	LNUNKTOPLRFLDB-SSDOTTSWSA-N	243.242	-0.430	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862890752	BFALVLDFRYLKOO-FBFNWGNUSA-N	242.275	-0.096	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ccc(F)cn1	913807860	VYSDZASTYKUFPD-QMMMGPOBSA-N	243.238	-0.204	50	10	BBGE	
C=C(CC)C(=O)NNC(=O)c1cnn[nH]1	1136677041	AMQMEAWXBYLTKT-UHFFFAOYSA-N	209.209	-0.468	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)c1ccnnc1	1162154274	HCNKODFMBMPNPL-LURJTMIESA-N	240.288	-0.011	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnn(C)n2)n1	1457815485	AZDRKGGNNSBEQD-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
Cn1nnc(C(=O)NNC(=O)c2ccccc2)n1	1530867027	XDSNSXXVRXNVGM-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNc1cccnn1	1597260477	NCLQANOSQFNNCD-AATRIKPKSA-N	235.247	-0.436	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1C[C@H](C)[C@@H](O)C1	1652931866	JAMAXMRRJCHLMI-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
NC[C@H](NC[C@H]1C[C@H]1Br)C(=O)O	1881362950	PCPAXPRZYZHUTA-PBXRRBTRSA-N	237.097	-0.229	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cc[nH]n1	1884831323	ONPAVQBVECRIAX-ZCFIWIBFSA-N	233.680	-0.071	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1	1885035795	ORMXQBHRNLFOFN-CRCLSJGQSA-N	211.187	-0.093	50	10	BBGE	
CON(C)C[C@H]1CC[C@H](C(=O)NN)C1	1885658447	FZTITURSBGKLPJ-YUMQZZPRSA-N	201.270	-0.114	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C(F)F	1888562644	YMRLFPMBBDXHDN-UHFFFAOYSA-N	230.236	-0.047	50	10	BBGE	
C[C@H](S)C(=O)NN(C)S(=O)(=O)C1CC1	1888572773	ZORVGGZUUKWGQN-YFKPBYRVSA-N	238.334	-0.240	50	10	BBGE	
C[C@H](OCC1[C@@H]2COC[C@@H]12)C(=O)NN	1890317710	WZSPPUFWKRWHQO-RRKCRQDMSA-N	200.238	-0.726	50	10	BBGE	
Cn1nnnc1CCNC[C@H]1C[C@@H]1Cl	1893119773	QOFUAXCLHXQRNI-RQJHMYQMSA-N	215.688	-0.031	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)C=CC(=O)Cl	1893411430	XGBAAXVRIUWFIF-NTSWFWBYSA-N	221.640	-0.834	50	10	BBGE	
C[C@H](Cl)C(=O)C1(S(C)(=O)=O)CNC1	1893426039	KDHIESKNMGBQBD-YFKPBYRVSA-N	225.697	-0.431	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]1CN2C(C)C)B(O)O	1897283836	NJRYLAGHSLASAM-QWRGUYRKSA-N	224.113	-0.279	50	10	BBGE	
CC=C(C)C(=O)NCc1ncc(B(O)O)s1	1901526691	ONHSBLFTITXQBW-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](CO)C1	1901756078	CHGASMRIXXCKJB-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC1(C)CCN1c1cc(B(O)O)c(F)cn1	1903005522	IBHQTEDKUGOROT-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
C[C@H]1C(Nc2cc(B(O)O)c(F)cn2)[C@@H]1C	1903005924	MTAFZGLRIPPXKX-PHDIDXHHSA-N	224.044	-0.033	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCCO[C@H]21)N1CC[C@H](B(O)O)C1	1905582956	DUNWSNORUHFBOC-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)C1=O	1912262014	NXGHOIGSBSBAIZ-SSDOTTSWSA-N	214.269	-0.630	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccsn1	1913623271	ONZKEKAOKJENTK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CC#N)C1	1915063825	WWVSFVZNNJWTNI-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927913682	LTDXBJZQAUCZQR-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
C[C@@H](O)CCN(C)C[C@@H]1C[C@H]1C(=O)NN	1927915728	KFLOUCPNPCDNFU-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
C[C@@]12CSC[C@H]1CN(C(=O)C(=O)NN)C2	1927953486	OSBQYKNNYNVWIP-HZGVNTEJSA-N	229.305	-0.812	50	10	BBGE	
COCCC1CN([C@H](C)C(=O)NN)C1	1932057584	MGILTVDAVMUBGO-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1C(=O)N(C)C	1940292109	SGVMNRYVXPBCPW-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC1(O)CCCC1	1941087278	MLNLONKOWBOBIC-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@H]1C1CC1	1941780518	QFYCHLUBZGDBHM-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2OCC[C@@H]2C1	1941781389	AWXOXFYJIDYIJU-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2cnnc2)CC1	1942635730	YWQXALVKTTXNIE-UHFFFAOYSA-N	235.247	-0.845	50	10	BBGE	
COC[C@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1946479892	XUXASEVNABLIRB-ONGXEEELSA-N	245.323	-0.916	50	10	BBGE	
O=C(N1CC=CCC1)N1CC[C@H](B(O)O)C1	1951319995	BZVDGJXAAPMDAO-VIFPVBQESA-N	224.069	-0.083	50	10	BBGE	
CN(C)NC(=O)NOC(C)(C)C(=O)O	1955410140	ZDPDXBHYZRXNFL-UHFFFAOYSA-N	205.214	-0.443	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1nccs1	1956926771	SVMOBKXAJZTLHB-ZCFIWIBFSA-N	214.294	-0.394	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2C[C@H]2CO)[nH]1	1957828944	TVDLTWIRFNKDGU-CRCLSJGQSA-N	229.671	-0.762	50	10	BBGE	
C[S@](=O)(=NCC(=O)NN)N1CCCCC1	1960617892	LLNFZVRSQIEZFF-HNNXBMFYSA-N	234.325	-0.525	50	10	BBGE	
O=S(=O)(NCB(O)O)[C@@H]1CCCC[C@H]1F	1962633825	PUGTVDVHJABDCL-RNFRBKRXSA-N	239.077	-0.802	50	10	BBGE	
C#CC1(NC(=O)c2cccc(B(O)O)c2)CCC1	1970113411	RVBLZXSULCWSTG-UHFFFAOYSA-N	243.071	-0.348	50	10	BBGE	
CC[C@@H](OCCN1CCCC1)C(=O)NN	1974689433	GEPGJONUXVWPLG-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ncno1	1976744530	IHQYILXCIJAPPL-MRVPVSSYSA-N	227.268	-0.484	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]1CN(C)C	1976931301	ICWIQKNOAVKMKM-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CCS(=O)(=O)COc1ccc(B(O)O)cc1	1978305028	VSQUOBPHZFXQOS-UHFFFAOYSA-N	244.077	-0.863	50	10	BBGE	
CCN(CCOC)c1ncccc1B(O)O	1981424013	MRHODCYXTWVRGB-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CN(Cc1cnco1)c1nc(B(O)O)cs1	1981468383	BAZXMYHHDVCOIY-UHFFFAOYSA-N	239.065	-0.553	50	10	BBGE	
CCN(CCF)c1ncc(B(O)O)c(C)n1	1986593030	YRWRVKPQBQGVHR-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
CN(C[C@H]1CCN1C)CC(C)(C)C(=O)NN	1987092967	QJKAKWPLHAHPTQ-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
CCCC(=O)N[C@@H](C)c1nscc1B(O)O	1987174865	JXUHNFWIZNPYDT-LURJTMIESA-N	242.109	-0.200	50	10	BBGE	
CCn1nnc(CNC(=O)NC(=O)CCl)n1	1992068708	KPOJDCRUJRPFEJ-UHFFFAOYSA-N	246.658	-0.742	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@@H]1C2	1992322542	REXHQUBBUGIOGI-DTORHVGOSA-N	218.065	-0.107	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@H]2C2CCC2)n1	1992933277	CXGJZYDROJLYLG-ZJUUUORDSA-N	220.081	-0.001	50	10	BBGE	
O=C(CC(F)(F)F)Nc1ccc(B(O)O)cn1	1996647457	MWRKPTWFTZVTKP-UHFFFAOYSA-N	247.969	-0.348	50	10	BBGE	
CCCn1ncnc1CN(C)[C@H](C)C(=O)NN	2002658302	PSQFOJUMDHMVHB-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)[C@H]2C[C@H]21	2002909302	MFZQVEXJRXSMRA-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@@H]3C2)ncc1B(O)O	2004971334	PSMUAEPMIAMUET-DTWKUNHWSA-N	233.080	-0.689	50	10	BBGE	
CCN(c1nc(C)ccc1B(O)O)C1COC1	2004974114	FVRSAPBYDCUMMV-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CCN(c1ncc(C)cc1B(O)O)C1COC1	2005014508	MLBAURBKGNRJJG-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](CF)C2)n1	2005017142	AHXWYURNLXNXTA-MRVPVSSYSA-N	239.059	-0.739	50	10	BBGE	
C[C@H](O)C1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010835100	KRKGXPAQAOWSHF-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCCC(=O)N(C)C1	2014825520	NDUKBCOPPGCMNJ-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CCC[C@@H]1C[C@@H]1COc1ncncc1B(O)O	2022578854	IYURVJQBSLPDBL-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
CN(CC1(F)CC1)c1ncc(F)cc1B(O)O	2025752419	LQEYBIBDWWDZFU-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1ncccc1B(O)O	2025754163	SNFKWVTYNKIVJA-KCJUWKMLSA-N	238.071	-0.054	50	10	BBGE	
Cc1ccnc(N(C2CC2)C2COC2)c1B(O)O	2052471664	GVXRRFDCCBJGNT-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@@]32C)c1B(O)O	2052551045	AJCOVSJUMGUMJA-SKDRFNHKSA-N	247.107	-0.156	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2c1ccc(B(O)O)cn1	2058060959	UQEMXDHHZLDTRM-GARJFASQSA-N	248.091	-0.625	50	10	BBGE	
CCOc1cc(OC)cc(B(O)O)c1OC	2060041139	YWNDOGWTNRJUFB-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3COCC[C@@H]32)c1B(O)O	2073044043	UDJVITOGXMLRPI-ZJUUUORDSA-N	248.091	-0.705	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccccc1B(O)O	2079008930	NNPLVFKHWZOJRU-JTQLQIEISA-N	243.071	-0.396	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]3C2)cc1B(O)O	2212604340	OIFNRPNUVOKYQQ-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2212606396	SVABUZXWNOXIRP-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1(C(N)=O)CCC1	2212657916	STZFFZHTRDDBBR-RXMQYKEDSA-N	247.682	-0.153	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2215131613	ACECPGKQRKEBEU-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC3CC2C3)nc1	2216291931	PSHVYCBOUSFXAR-HACHORDNSA-N	234.064	-0.419	50	10	BBGE	
Cc1nocc1CNc1cc(B(O)O)ccn1	2217171111	AOQJHLDAIISJPI-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CN(CC(C)(C)CN)c1cc(B(O)O)ccn1	2217175952	PRZWIDVTERDXOJ-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1COCC1(F)F	2217176296	UTDYJBWGSGEZEF-ZETCQYMHSA-N	244.006	-0.793	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)c1cc(B(O)O)ccn1	2217179389	JYSRVORQKYRFQO-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
N[C@@H]1CC[C@H](COc2ncccc2B(O)O)C1	2217184117	MWCIVZVILJRHLR-DTWKUNHWSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H](N)CCCCOc1cc(B(O)O)ccn1	2217186449	KNSPTBWFVTYRSG-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
CC[C@@H](N)C[C@@H](C)Oc1ncc(B(O)O)cn1	2217191471	KAQMSCGHPBTIHV-VXNVDRBHSA-N	239.084	-0.949	50	10	BBGE	
CO[C@@H]1CC[C@H]1CNc1cc(B(O)O)ccn1	2217201851	ZYXULGIRNIYLGL-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCO[C@H]2C2CC2)c1	2223674908	NVQXTCQCCSXOMV-PWSUYJOCSA-N	248.091	-0.259	50	10	BBGE	
Cn1c(O)cc(=O)n(CCCCl)c1=O	2241379313	GZSCAZBZVOFTJU-UHFFFAOYSA-N	218.640	-0.119	50	10	BBGE	
CSC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2241481125	OYVXOWOLLDQJDA-BQBZGAKWSA-N	215.083	-0.577	50	10	BBGE	
CSCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2241496957	XVWOXASDEKLXAD-NKWVEPMBSA-N	217.099	-0.329	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1cc(B(O)O)c[nH]1	2243357464	XCNPDHWHBDSAOK-UHFFFAOYSA-N	242.471	-0.804	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@@H]21)C1(B(O)O)CC1	2243358376	GCSLBCSTDZUSRF-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CF)oc1B(O)O	2243378751	YQBHWBJRNBIWNU-LURJTMIESA-N	229.016	-0.644	50	10	BBGE	
COCC[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382076	LHBLATFXWMSDBB-XHNCKOQMSA-N	229.085	-0.219	50	10	BBGE	
CC(C)(C)C#CCCNC(=O)C#CB(O)O	2243400539	CVSOMXXPDMLKQQ-UHFFFAOYSA-N	221.065	-0.442	50	10	BBGE	
CC[C@@H](COC)N(C)C(=O)C1(B(O)O)CC1	2243408355	LQJSLBWDOZPXFO-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)F)sc1B(O)O	2243409504	JHOPIYMDQZUMNN-LURJTMIESA-N	245.084	-0.176	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC2(CC2)C1	2243415601	YMANVDHMFXLESC-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
C[C@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416709	MBEZODUWMOHUFK-RBXMUDONSA-N	227.069	-0.779	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCC[C@H]1CO	2243419869	IFKALECNNMFDIK-XHNCKOQMSA-N	227.069	-0.777	50	10	BBGE	
C#CCN(CC#N)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243425634	ACQACPSWNHDPIJ-DTORHVGOSA-N	220.037	-0.775	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1csc(B(O)O)c1	2243669838	XNLMNLQBOTWDAX-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H](C)C(=O)O	2243753305	SKCSLBWGCODYTP-PHDIDXHHSA-N	229.041	-0.781	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)C[C@@H](C)O	2244867283	KOBIRICOVVAGMA-MRVPVSSYSA-N	231.296	-0.754	50	10	BBGE	
CCCC1(O[C@@H](COC)C(=O)NN)COC1	2245003717	MCJNXWYNGKNPRD-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C(C)C	2247733974	FISTXPLGQWCMEO-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1ccc(B(O)O)o1	2247739952	DILSXARJSBNWAE-BQBZGAKWSA-N	241.027	-0.420	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2247770738	QVVMBVJNTWHYHQ-YUMQZZPRSA-N	249.100	-0.172	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786245	YCDCAKSPPKWBHK-SQXHDICFSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCNC1	2247787807	VCRVHCZTEPQDNZ-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCCO)C1CCC1	2247799894	JIHLZVVCQAZAFN-UWVGGRQHSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2CNC[C@@H]21	2247806585	GCPZSLUMSYPLEY-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
CCN(CC(=O)OC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247806806	GHSWJFUNDKVJHP-ZKCHVHJHSA-N	243.068	-0.739	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247806834	GMKBFNNIKKLDMS-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808502	LFSDGZWCBRNVSJ-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC=CC1	2247854979	LNLULAYIBQZOES-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
C[C@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858587	FWQWQICCNZADOD-XKNYDFJKSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)CC(CO)(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247859742	ORPJROALXBULPL-HTQZYQBOSA-N	241.096	-0.483	50	10	BBGE	
COC(=O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2247860505	XNRZOEZCRMCDQW-SFYZADRCSA-N	243.068	-0.741	50	10	BBGE	
CCC(CC)NC(=O)c1ccc(B(O)O)cn1	2247867968	BMBSCKBVTSIDHJ-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
O=C(N1C[C@@H]2[C@@H](CO)[C@@H]2C1)C1(B(O)O)CCC1	2247877106	BZYBMDKIEKUOGQ-BRPSZJMVSA-N	239.080	-0.920	50	10	BBGE	
CC1(C)CNC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247897922	YMDRUCZBHZHCPP-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
COC[C@]1(C)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247900799	ZUPKMKPYTFFLND-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
O=C(O)CCN(C(=O)C1(B(O)O)CC1)C1CC1	2248579422	ZRKMDLXDPXUUHV-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
C[C@]1(CN2CCC(B(O)O)CC2)COCCO1	2249359918	ZNDJBYCYAPBFNF-NSHDSACASA-N	243.112	-0.269	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(B(O)O)co1	2249428609	RHIUGIMCUSHPTH-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
CCC1(Oc2ccc(B(O)O)c(C)n2)COC1	2250789614	LXSPBEGHTZXRGJ-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CC#CCN(C)C(=O)c1cccc(B(O)O)c1F	2255502823	ZWGGOISQEORVOW-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)C1CCC1	2255517640	WYFINJZXDPNVRR-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccc(B(O)O)cn1	2255518554	MFAJBSWEKYRDJX-SNVBAGLBSA-N	246.075	-0.707	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ncccc1B(O)O	2255518838	PJFZYYWAQIAQSD-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
C[C@@H](NC(=O)c1cncc(B(O)O)c1)C1CCC1	2255522596	LTZXPSPJZRJVEO-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)[C@@H]1CC=CCC1	2255547888	JIKSXAFGYXKVAQ-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
C[C@](CO)(NC(=O)C#CB(O)O)c1ccccc1	2255672469	HWRUDJRCPMGCEC-GFCCVEGCSA-N	247.059	-0.974	50	10	BBGE	
O=C(N1CCc2n[nH]cc2C1)C1(B(O)O)CCC1	2255739619	NEDDFZBRSHXKTK-UHFFFAOYSA-N	249.079	-0.309	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3CCC[C@@H]32)nc1	2298225112	PRIVPARXQMRJBO-HGNGGELXSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cn(C)cn1	2298370445	YPOUKIIPZKCAPK-PRJMDXOYSA-N	237.068	-0.540	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@H](B(O)O)C1	2298371046	WYPBXNHLQKZXQK-RXKWGBCNSA-N	239.080	-0.325	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)O)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298462805	CXPOAKGUCVMKFW-XUTVFYLZSA-N	241.052	-0.687	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1cc(B(O)O)ccn1	2300055362	NAXDXCYGIXQSRA-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@@H]1CCCCO1	2300231935	AKPDJYLKDMMUCM-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCN(C)C(C)=O	2301395819	STUYAAXRVBBBLQ-SNVBAGLBSA-N	244.339	-0.445	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC12CCOCC2	2302829471	BXLUJDROOJBAQR-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
CO[C@@H]1CC(N2CC[C@@H](B(O)O)C2)C[C@H]1OC	2303097428	BBKZULSDCVNDRN-FBIMIBRVSA-N	243.112	-0.273	50	10	BBGE	
CO[C@]1(CN2CC[C@](C)(B(O)O)C2)CCOC1	2303134267	PGMIETYYWRFIRU-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C=C[C@H]2C3)ncc1F	2303834240	CCDSWNZUOJFWBH-YUMQZZPRSA-N	234.039	-0.335	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3ncc(B(O)O)cn3)C[C@H]12	2308839759	NMUBPTTZZGIXMB-QXHCQDJKSA-N	247.063	-0.859	50	10	BBGE	
OC[C@@H]1[C@@H]2CC[C@@H](C2)N1c1ccc(B(O)O)cn1	2312612401	VRDMAFAWFPGKRK-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
O=Cc1ccc(NC2(CO)CCC2)cc1B(O)O	2317351166	DLRSGPFDAZRCFP-UHFFFAOYSA-N	249.075	-0.494	50	10	BBGE	
Cc1cnc(OCC2=CCCOC2)c(B(O)O)c1	2327488479	BYRAJHXEBMMDJX-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
COC(=O)[C@@H]1CN(C(=O)CCl)C(=O)N1	39054631	IWFLJOUTFMQRAP-BYPYZUCNSA-N	220.612	-0.681	50	10	BBGE	
C1NNCC1SSC1CNNC1	39082892	PZQFNHCUCKACDL-UHFFFAOYSA-N	206.340	-0.679	50	10	BBGE	
CN(C)C[C@H]1CCCN1CCC(=O)NN	82468619	RAGFTGMYBGSSFV-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C=CCOC[C@@H]1CC[C@@H](C(=O)NN)O1	84689155	XDEMIMGYXVQSLO-YUMQZZPRSA-N	200.238	-0.274	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCNC(=O)C1(C)C	110664421	FGOCVZCZLYSEFU-QMMMGPOBSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@@H](O)CC[C@H]2C1	125783715	LBTUYDURTQVMFE-YIZRAAEISA-N	213.281	-0.931	50	10	BBGE	
O=C1O[C@H](CBr)[C@H](O)[C@@H]1O	210204937	MYRODPRKOYUJTI-UZBSEBFBSA-N	211.011	-0.972	50	10	BBGE	
COC[C@H](OC1CCCC1)C(=O)NN	232417443	FFIIEHYLOLCLEZ-QMMMGPOBSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251535064	KMRSMIHRIJLNDU-VGMNWLOBSA-N	227.308	-0.257	50	10	BBGE	
CN1CC[C@@H](COCC(=O)NN(C)C)C1	259038193	SJVKASRFICUZRU-SECBINFHSA-N	215.297	-0.453	50	10	BBGE	
CO[C@H]1CCN([C@H](C)CC(=O)NN)C1	300044469	CHGNBQMSGQNNNR-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CN(CCCO)S(=O)(=O)CBr	300740071	AEUURFAWRUTMKL-UHFFFAOYSA-N	246.126	-0.017	50	10	BBGE	
NNc1cc(Br)ccc1B(O)O	306904425	UJMMOGNCBOTGMJ-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1[C@H](C)C(=O)NN	306960090	BBWZDZDVWGWQCB-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CCc1nnc(CNC(=O)NN)s1	307005971	FNORKBUKLBDFKE-UHFFFAOYSA-N	201.255	-0.227	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)C(F)(F)F	307166357	OVPMEGPAOFJDMQ-BYPYZUCNSA-N	227.186	-0.321	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1B(O)O	310253160	XFEHKJZBALGSSC-MAUMQABQSA-N	240.112	-0.781	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[S@](=O)CC1	321919399	TUWDSOJGIFJMNZ-DRTKUVKGSA-N	247.364	-0.545	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NCCC(=O)N1	379700809	SUCLKSMZMLBSAU-SOFGYWHQSA-N	209.205	-0.606	50	10	BBGE	
COC1(C)CN(CCCC(=O)NN)C1	382594525	JJBYSRCBSQNIHF-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(CN)C1	389692377	HXMPEIVKJNKBHD-WPRPVWTQSA-N	214.313	-0.574	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H](O)CC1	393168538	CXSQAXQKJHCAEH-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
O=C(O)CCc1ccc(F)cc1B(O)O	396029356	VZOMFBSHBVANTF-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
O=Cc1cc2c(B(O)O)ccc(CO)c2s1	396344574	XIDQNRFFQHJKKI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1csc2c(B(O)O)ccc(O)c12	396391109	YQXRDUUCEICQRW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ccnnc1	405012349	YIJRAYHXRJYQLK-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1	405018130	CPGSBAGZUYHLCD-LDYMZIIASA-N	233.076	-0.361	50	10	BBGE	
O[C@H]1C[C@@H]2CN(CCOCCCl)CCN2C1	405205115	FRSPSZCMOIULHT-MNOVXSKESA-N	248.754	-0.007	50	10	BBGE	
O=C(CCl)N1CCN2C[C@H](O)C[C@H]2C1	405633460	ASMKJDGFSQQXEM-JGVFFNPUSA-N	218.684	-0.497	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1CCC(=O)NN	688639917	NXFJYCYCTXDVHK-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12COC[C@H]1C2	689285209	DUEDJHDDTLFJMX-SCZZXKLOSA-N	213.281	-0.665	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C[C@@H](O)CCl	690230372	CPYOOCOYXCSORC-DTWKUNHWSA-N	224.732	-0.560	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](C#N)C1	693907915	QQXUBFZQZXPZTC-IUCAKERBSA-N	226.280	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@](C)(CO)C1	694723080	BZJLMQWUOSOKKZ-KCJUWKMLSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](CO)[C@H]1CCCCN1[C@H](C)C(=O)NN	699959601	JOQJSRMYFORESP-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
O=C(/C=C\c1nc2ccccc2o1)NCB(O)O	701930963	GHICVKSSFMGYGW-WAYWQWQTSA-N	246.031	-0.031	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]1c1ccccc1	702030650	PXRUAMMBQKIEIN-VHSXEESVSA-N	219.049	-0.082	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCCl	703193388	QXLTWZVTMWWPNP-WHFBIAKZSA-N	222.628	-0.760	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C(F)F)C1	706486688	HGWKLWFUXUHRDZ-LURJTMIESA-N	207.224	-0.048	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CCOC[C@H]1O	706782217	DEKKJVMKQBGRPR-JQCXWYLXSA-N	241.243	-0.947	50	10	BBGE	
COCCCOc1c(F)cccc1B(O)O	707076564	UCXPZICTIBFMRN-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](F)C1	714557834	GITIRJRBPDODOR-FSDSQADBSA-N	207.224	-0.253	50	10	BBGE	
Cc1nn(CC(F)(F)F)cc1B(O)O	719675867	MRWLOOCNEAXUNE-UHFFFAOYSA-N	207.948	-0.566	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)c2ccoc2)C1	729528968	NDMVGEVHBOBYRK-MRVPVSSYSA-N	237.259	-0.008	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)N(C)C	847403123	REJMFZNGXOEHNI-SECBINFHSA-N	217.269	-0.303	50	10	BBGE	
COCc1nc(C(=O)NN(C)C2CC2)n(C)n1	853809738	SGTSHSBSCYBQFX-UHFFFAOYSA-N	239.279	-0.300	50	10	BBGE	
CO[C@@H](C(=O)NNC(C)=O)C1CCC1	854155655	SRJLDDDYMJHQIW-MRVPVSSYSA-N	200.238	-0.031	50	10	BBGE	
C[C@H](C(=O)NN(C)C(N)=O)[C@H]1CCCO1	907187172	NWXICYDXVFONFP-NKWVEPMBSA-N	215.253	-0.157	50	10	BBGE	
CCCNC(=O)NNC(=O)c1nsnc1O	1142507447	YSSYOFHGZSEXAA-UHFFFAOYSA-N	245.264	-0.402	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNc1nccn(C)c1=O	1160934734	UHPNPIXTCNISFJ-UHFFFAOYSA-N	248.246	-0.431	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@H]1CNC(=O)C1	1451481317	XIMGVYZSSORWBX-XZZQCUQZSA-N	237.259	-0.317	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCNC(=O)OC	1468052206	WBEGMCWAWAARTJ-BQYQJAHWSA-N	241.247	-0.097	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1ccc[nH]1	1540425489	LJRLXUYAWUEISD-UHFFFAOYSA-N	219.204	-0.187	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)cc1	1556422421	DJXKOKJMKATQRC-UHFFFAOYSA-N	211.001	-0.934	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1ncc(F)cn1	1623197663	YFIBPAHFJUBEPU-ZCFIWIBFSA-N	212.184	-0.394	50	10	BBGE	
Cc1ncc(C(=O)NNC(=O)c2cc[nH]n2)n1C	1629183729	SDGUMKIXWKSGFQ-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
NC(=O)c1cc(C(=O)NNc2ccncn2)c[nH]1	1635929064	DLEAXPASEUAELD-UHFFFAOYSA-N	246.230	-0.340	50	10	BBGE	
COCCN(C)NC(=O)c1csnn1	1636379803	YSWDIBJPWGTQBT-UHFFFAOYSA-N	216.266	-0.239	50	10	BBGE	
C#Cc1ccc(C(=O)NNc2cnnn2C)nc1	1638740203	DJIGNKTVORRWEN-UHFFFAOYSA-N	242.242	-0.052	50	10	BBGE	
O=CNNS(=O)(=O)c1ccc(F)cc1	1858080935	XYJFJZAQHQPIKD-UHFFFAOYSA-N	218.209	-0.235	50	10	BBGE	
CC(C)(C)OC(=O)NCCOCCC(=O)NN	1880023159	JOVFMKQNHBPKJH-UHFFFAOYSA-N	247.295	-0.092	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NN)C1	1880024900	WYPUFMIOZWTCDA-UHFFFAOYSA-N	245.279	-0.652	50	10	BBGE	
C=C[C@H](CO)NC(=O)C=CC(=O)Cl	1883627719	YKVSBEPPFOYQPC-ZCFIWIBFSA-N	203.625	-0.029	50	10	BBGE	
COC[C@@H](OC[C@H](C)OC)C(=O)NN	1886078336	CTAWIYHTNLENQI-NKWVEPMBSA-N	206.242	-0.957	50	10	BBGE	
CO[C@]1(CNC(=O)F)CCS(=O)(=O)C1	1887187706	GILUPVUXIUIZHI-ZETCQYMHSA-N	225.241	-0.131	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)[C@H](O)C(C)(C)C	1889662604	XMWSIUAPOJUMDQ-BQBZGAKWSA-N	203.286	-0.687	50	10	BBGE	
OB(O)c1cc(N2CC=CCC2)ncc1F	1903006883	ZIFIUPQIOUAJJK-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
CO[C@H](C)COC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909804997	KAGFBADWZWUTCG-UTLUCORTSA-N	246.307	-0.035	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914396150	KWLDWHVCXYLLRO-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CNC(=O)[C@H](C)N(C)CCCCCC(=O)NN	1916200564	QCDIOFLQUIIZSN-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCO1	1927913388	IRYHGIWYTNAMCD-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CC[C@H]2C[C@H]1CO2	1928121989	OAYQDYZHNBGTTL-ACZMJKKPSA-N	213.237	-0.499	50	10	BBGE	
CC1(C)C[C@H](CO)N(CCC(=O)NN)C1	1931245853	HCCYURGKVQWSAI-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C)CS(N)(=O)=O	1932514343	XOMDHEQTKMMHQO-UHNVWZDZSA-N	228.701	-0.593	50	10	BBGE	
CN(C)CC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936085336	QHJHEUDZLYRYKV-VHSXEESVSA-N	226.324	-0.894	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)[C@@H]1C	1936094256	LPIGAACAMGKFPF-HXFLIBJXSA-N	225.292	-0.273	50	10	BBGE	
CC12COC(Cn3ccc(B(O)O)n3)(C1)C2	1937712923	MLCVTJNCLANDBB-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC1(F)F	1938860231	MKULQLDWTFVZFT-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1939553207	QTLBELKYVPERJM-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOC12CCCCC2	1940576941	HCFNIOJWKRFSKZ-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1941011824	LLDXYEGNCSNAKI-HLTSFMKQSA-N	247.314	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2OCC[C@H]2C1	1941093891	JIRWXUGPBGIDJD-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1941094947	QBSHKVVPZYOYPC-AXFHLTTASA-N	241.335	-0.031	50	10	BBGE	
C[C@H](O)C1CCN(CC2(C(=O)NN)CC2)CC1	1945883066	SSIUWDUNKPRZBJ-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945884139	LXYNVWCZUHQMOZ-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
O=C([C@@H]1C[C@H]1C(F)F)N1CC[C@@H](B(O)O)C1	1951320670	PGRQXNPCAYFFFJ-FSDSQADBSA-N	233.023	-0.037	50	10	BBGE	
COC1CN(S(=O)(=O)NCCCl)C1	1954615654	LTJVPEKPYHNFOE-UHFFFAOYSA-N	228.701	-0.610	50	10	BBGE	
CCS(=O)(=O)NC1CN(CCCl)C1	1954858081	FFOGDXMBPHSARY-UHFFFAOYSA-N	226.729	-0.151	50	10	BBGE	
C[C@H]1N(C(=O)C(=O)NN)CCC1(F)F	1956916427	ABMQQUNJDSUIFO-SCSAIBSYSA-N	207.180	-0.768	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC([C@@H](F)CO)C1	1957731876	YCCZVTMBRWJDPR-XPUUQOCRSA-N	219.260	-0.983	50	10	BBGE	
NNC(=O)c1nc(CN2CC(CF)C2)ns1	1976241164	RQTSXZDTRLPGTK-UHFFFAOYSA-N	245.283	-0.457	50	10	BBGE	
CN(C)[C@H]1CCN(CC(=O)NN)C2(CC2)C1	1976696567	AINLQJFCIBJWPP-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)C1(CN(C2CC2)C2COC2)CC1	1977189688	XJUPKAWFZFFNDK-UHFFFAOYSA-N	225.292	-0.380	50	10	BBGE	
NC(=O)NNC(=O)c1cnc2cccnn12	1981291506	GLZKSMAVKQRYEJ-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CCCN(c1ncc(B(O)O)cn1)C1CC1	1981409441	MUUWJNVQTMHGPO-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@@H]1C	1981426667	PKZXGVAHCIREOE-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@@H]2C)c(B(O)O)c1	1981469302	QDXDJPIJGBCCQT-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
CC12CC(C(=O)NCB(O)O)(C1)C(C)(C)O2	1984093567	OVCBBWAKEDYIHE-UHFFFAOYSA-N	227.069	-0.538	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(CO)C2)C1	1985356918	JXAINAZAPDEIAV-WPRPVWTQSA-N	227.308	-0.683	50	10	BBGE	
COc1ccc(B(O)O)cc1COCCF	1985995040	JJHHEURGZMOYMQ-UHFFFAOYSA-N	228.028	-0.139	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NCC=CB(O)O	1991333221	SQYSUFRDTSENLX-VIFPVBQESA-N	229.085	-0.267	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)C[C@@H](C)C1	1997245102	NMMFIHJVNISISH-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
Cc1cc(O)nc(CN2CC(=O)OC(=O)C2)n1	1999620967	CSQUVHIGTVCCIS-UHFFFAOYSA-N	237.215	-0.624	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(C)(C)C1	2003506479	UYYLSRKRRJZXBG-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
NC(=O)C1(CN2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	2008328577	KJPZGELKTPPZNN-BQBZGAKWSA-N	238.243	-0.832	50	10	BBGE	
C[C@H]1C[C@H]1CCCn1cc(B(O)O)ccc1=O	2011568228	LKXMKWPCWOPMGV-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
Cc1c(O)cccc1C(=O)NCC#CB(O)O	2021156801	CHVBQYSGESUXDD-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
O=C(Nc1cnoc1)c1ccccc1B(O)O	2022195861	BWJJHWUGHSOVRV-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
NNC(=O)C12COC(CN3C[C@H]4C[C@H]4C3)(C1)C2	2023853359	LPOLNONVJJIMSR-LRSDLPTKSA-N	237.303	-0.523	50	10	BBGE	
CC1(C)CC[C@H](CO)N1CC1(C(=O)NN)CC1	2025477069	XJCNKKGLTDJHDQ-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)c1cc(CN2C(=O)[C@H]3C=C[C@H]2C3)on1	2042506875	RYAMBRUUTCHQHJ-BQBZGAKWSA-N	248.242	-0.435	50	10	BBGE	
Cc1ocnc1CN(C)c1ncc(B(O)O)cn1	2052468486	DJSFNJCJFFCXJZ-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)N1C	2052471815	OLVYNWKRQKUFMA-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
O=C(CN1CC=C[C@@H]1CO)NNc1ccccn1	2056311336	ARJXSZMRTZYLTB-SNVBAGLBSA-N	248.286	-0.243	50	10	BBGE	
Cc1nc(OCCn2cccn2)ccc1B(O)O	2064609175	BTOMJSFLEURGGC-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CN1CCCC12CN(c1ccc(B(O)O)cn1)C2	2066488207	YMMCBCHXFGTSTM-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
O=C(CN1C[C@H]2COC[C@H]21)NNc1ccccn1	2075111275	VXVCEFIADMAABS-VHSXEESVSA-N	248.286	-0.145	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1[C@@H]2COC[C@H]1C2	2077828496	ADKLTJSYCIZXPB-BETUJISGSA-N	247.103	-0.352	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@@H](C2)C3)n1	2077867631	LSTBAXWOGPHFAA-AOOOYVTPSA-N	247.107	-0.381	50	10	BBGE	
CO[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079012471	UNRRKBIFJZXETB-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
Cc1cc(C(=O)N2CCC(B(O)O)CC2)n[nH]1	2208629719	RZLDQXJTXWXXRE-UHFFFAOYSA-N	237.068	-0.203	50	10	BBGE	
CC(C)[C@H](OC[C@H]1CCN(C)C1)C(=O)NN	2211765136	NCBWXWJYQUCFAR-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@@H]2C)cc1B(O)O	2212604778	SOZKNLXFZNBTEZ-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC2CC2)c1F	2212605927	LZFAJUKCENBDEV-UHFFFAOYSA-N	224.044	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2COC[C@H]21	2215771173	GOUHGHLXLDXZFL-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1cccnc1OCC[C@@H]1CCNC1	2217181327	OKVWFTPITPQAND-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
C[C@H]1C[C@H](Nc2nccc(B(O)O)c2F)CO1	2217186913	QKNMEEUQSRFOCO-BQBZGAKWSA-N	240.043	-0.510	50	10	BBGE	
N#CCCN(c1ncccc1B(O)O)C1CC1	2217203806	AMTLTTQXQOBJKW-UHFFFAOYSA-N	231.064	-0.356	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1Nc1cc(B(O)O)ccn1	2217204308	HYTNVMYPTMGEBG-WEDXCCLWSA-N	236.080	-0.261	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)CC12CC2	2223632358	IRVMGBTUWGBSAE-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
C[C@H](Cn1cccn1)Nc1ccc(B(O)O)cn1	2223637013	CGRZDYFONGGCKZ-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
Cc1cnc(N[C@H]2[C@H]3NCCC[C@H]32)cc1B(O)O	2223643327	UQLHKRRZMQOVCO-JFUSQASVSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCNCC1	2223674604	MGFZDNFJQAVNTD-JTQLQIEISA-N	249.123	-0.437	50	10	BBGE	
O=C(NCc1ccccc1)c1cc(B(O)O)c[nH]1	2241468076	GZSNUNDUNTUNDJ-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
CN(CC1(O)CNC1)C(=O)[C@@H]1C[C@H]1Cl	2241933130	RCUCCBJCFULALO-RNFRBKRXSA-N	218.684	-0.594	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@H]2C1	2243358939	MCIUMEUTGTVGHV-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
CCON(CC)C(=O)c1csc(B(O)O)c1	2243362557	SRBWLAOOIYLVPC-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
C[C@@H](O)C1(NC(=O)C2(B(O)O)CCC2)CC1	2243365954	VHCSOBCKHMOKDI-SSDOTTSWSA-N	227.069	-0.587	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2CC2)c1	2243367755	XYCVTIUUACNDKF-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)sn1	2243378538	VEPKAXMVQFTBBV-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
CCOCCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243381882	JXSQDQONOGTEAT-IUCAKERBSA-N	229.085	-0.218	50	10	BBGE	
C[C@@H]1CCN(C(=O)C#CB(O)O)C[C@@H](C)C1	2243400882	JEOVFNIIENGYIS-ZJUUUORDSA-N	223.081	-0.104	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)C#CB(O)O)C1	2243401831	XJWIYTJXGDFQKX-VIFPVBQESA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243403825	DIRQYKVZSCCBQM-JBDRJPRFSA-N	226.085	-0.894	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1occc1B(O)O	2243411355	RVCCSLCGZYFOOW-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCc1noc(C(N)=O)n1	2244121543	RNVGLZJRVQEZBE-SCSAIBSYSA-N	246.654	-0.198	50	10	BBGE	
Cc1nc(N(C)[C@H](C)CF)ccc1B(O)O	2244148044	ICOVOWIDUKGTHH-SSDOTTSWSA-N	226.060	-0.136	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2O[C@H]3CC[C@H]2C3)O1	2247074537	QLIGLPOINDNMPI-XKNYDFJKSA-N	241.291	-0.308	50	10	BBGE	
CCCOCCNC(=O)c1coc(B(O)O)c1	2247732415	FGCFEGSSDOBEDQ-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247739969	DMZWLWUWJVBTPH-QMMMGPOBSA-N	233.032	-0.803	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1C(=O)C1(B(O)O)CC1	2247754596	NNDODBBKHAUHSQ-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
C=C1CN(C(=O)c2cccc(C)c2B(O)O)C1	2247760232	DWCDUMDHDCEFGW-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247786908	ILNIEBUJSTXMMX-RGOKHQFPSA-N	241.096	-0.341	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787609	RDTQOOKAORXDDZ-WCABBAIRSA-N	243.112	-0.093	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CN(C)C1	2247791621	NVKRQNDKPAYMIG-KYZUINATSA-N	240.112	-0.598	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1B(O)O	2247797135	GLSJMQRVMAFHPA-RXKWGBCNSA-N	239.080	-0.515	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)CC12CC2	2247804380	GWSJHOMPQVLLQK-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
O=C(NCC12CCC(CC1)O2)[C@@H]1C[C@@H]1B(O)O	2247805065	ARLOUNXEANQVPO-GWMJWBFUSA-N	239.080	-0.323	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247807470	IHVCNSZDARFQBO-RGOKHQFPSA-N	238.096	-0.988	50	10	BBGE	
O=C(N[C@@H]1CCNC2(CC2)C1)[C@@H]1C[C@H]1B(O)O	2247809480	PKTJFGBNEFAVHG-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CCN(CCN(C)C)C(=O)C1(B(O)O)CCC1	2247879469	VRTLTXVNLNNCCL-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247888406	ZEDHASDSVSPPBJ-KXUCPTDWSA-N	241.096	-0.266	50	10	BBGE	
CCN(OC)C(=O)c1nccc(C)c1B(O)O	2247891344	XVBHNIHZKJXSAY-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
COC[C@]1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897032	NGXRPXCIRLPXSS-ATZCPNFKSA-N	241.096	-0.266	50	10	BBGE	
CC(C)[C@H](C)[C@H](N)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247898706	HCDBDVKAUWHWMT-AATLWQCWSA-N	242.128	-0.415	50	10	BBGE	
C#CC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247898725	HHGWDXZAZSYEDQ-UTLUCORTSA-N	237.064	-0.900	50	10	BBGE	
CC[C@H](COC)NC(=O)c1cocc1B(O)O	2249417796	LBOFAJOZWVZUME-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]1C(F)F	2249420620	WTNBWARVMQBWMW-SSDOTTSWSA-N	244.990	-0.561	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)[C@@H]1C[C@H]1C	2249434050	UTWBACYXVORYAM-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2249576517	OHSPKHITZTVVNV-YOQJGNTNSA-N	239.319	-0.685	50	10	BBGE	
CC[C@@]1(C(=O)NCCC#CB(O)O)CCCO1	2250002062	GKFWSSSNYIOCBB-NSHDSACASA-N	239.080	-0.533	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1ccc(B(O)O)o1	2255461211	DOYIERBLSCHZGS-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
O=C(Nc1ccccc1O)c1ccoc1B(O)O	2255468268	YKTCWMCFYUIHJY-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1C[C@H]2C[C@H]2C1	2255515398	XBYRCFWMWRILME-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
Cc1cnc(C(=O)NCC2CCC2)c(B(O)O)c1	2255556422	PASARUHPSNEZFL-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Nc1cccc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2255568200	KEKCNCBHDMLRKW-MNOVXSKESA-N	248.091	-0.210	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2C3CCC(CC3)[C@@H]2C1	2255679024	FCWJFGYTMIHCHB-QQFIATSDSA-N	247.103	-0.104	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@@H]2CC[C@@H]21	2255717396	JTKJFWHHECRRSF-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@]12CCC[C@@H]1C2	2255727810	VVHXELPVDQFXHP-PRHODGIISA-N	249.075	-0.060	50	10	BBGE	
CCC=CCNC(=O)c1ncc(C)cc1B(O)O	2255790797	DGUWQDANOAVYQC-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
COC(OC)[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371292	GSNJMPLFFDRLPI-BWZBUEFSSA-N	245.084	-0.685	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298374651	HMFLZLDDPKXEJZ-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1[C@H](CO)C2)C1(B(O)O)CC1	2298375201	ZVCCBGFUJJULNW-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
CC(C)(F)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463682	UCPOSKAOKJYQDH-SRQIZXRXSA-N	247.031	-0.833	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cnc(C)o1	2303287166	JXLRWDPNVKBDEY-VIFPVBQESA-N	242.279	-0.580	50	10	BBGE	
CN(CC(=O)NN)Cc1cnn(CC(F)F)c1	2303417821	QFDBCMAKUHCPOU-UHFFFAOYSA-N	247.249	-0.430	50	10	BBGE	
CC[C@](C)(CN1CC(C(=O)NC)C1)C(=O)NN	2303426668	QFLNPACKTZOCPO-LLVKDONJSA-N	242.323	-0.930	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2CC23CC3)[nH]cc1F	2303847623	LQKZEPRFRJJMEU-SSDOTTSWSA-N	236.055	-0.466	50	10	BBGE	
CCOC(=O)C(C#N)=CNCc1ncn(C)n1	2305764165	HGXLMZFCCVPIGO-UHFFFAOYSA-N	235.247	-0.125	50	10	BBGE	
CCc1ccc(C=CC(=O)NNC(=O)CO)o1	2309037348	WPVKNFKKZCPXMW-UHFFFAOYSA-N	238.243	-0.005	50	10	BBGE	
O=Cc1ccc(NCCNC2CC2)cc1B(O)O	2317350157	OGWIPKJWMVLHKB-UHFFFAOYSA-N	248.091	-0.657	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)c1nncn1C	50421911	IILNLEDKWHUHDE-YFKPBYRVSA-N	245.670	-0.059	50	10	BBGE	
CC[C@H](C)N(CCOC)CC(=O)NN	82470357	MYFXSSJRQXTNGV-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1COCCO1	82512925	PEDOHXQTOOEBOO-ZCFIWIBFSA-N	229.685	-0.483	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1=O	84083778	ZBFPNXKDQGUZNC-WHFBIAKZSA-N	218.640	-0.513	50	10	BBGE	
COCCN(CCC#N)CC(C)(C)C(=O)NN	93727924	CPNLBTVSKCDTMU-UHFFFAOYSA-N	242.323	-0.135	50	10	BBGE	
O=C(NCCOCCCl)c1c[nH]nn1	137002852	ABKFCBQPIFXKBT-UHFFFAOYSA-N	218.644	-0.210	50	10	BBGE	
CCOCC(=O)NNC(=O)CO[C@@H](C)CC	153453265	FDNLNBQPEUYNOB-QMMMGPOBSA-N	232.280	-0.015	50	10	BBGE	
C[C@H](O)COC(=O)NNC(=O)OC[C@@H](C)O	168583534	MSGFTHUDDIBEMG-OLQVQODUSA-N	236.224	-0.885	50	10	BBGE	
CN(C)[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	203115855	YELYTGUUTXCESF-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
Cn1cc(COc2cncc(B(O)O)c2)cn1	203524489	RVCDRMGVAWTZBS-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
N#C/C(=C/NCCCO)C(=O)NCCCl	217236397	TVGMHLNMGWBTHY-FPLPWBNLSA-N	231.683	-0.279	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251408	VBCBKHRFVKJVEM-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
CCSCC[C@@H](NC(C)=O)C(=O)NN	238283416	CGYSVSCYKIOICZ-SSDOTTSWSA-N	219.310	-0.376	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCOC1	250686001	FGXUIALQLQPKQF-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN2CCC[C@H]2C1	251205608	IDFACOYNLMOWQG-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H]1C(=O)NCCN1[C@H](C)CCC(=O)NN	251797418	XWRMSGLRMMWSFY-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CCCCN2C[C@H]1C	251823871	PCUJOJKAIKVJJB-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)ncc1Br	306552120	AVGAFFXMKWUYKI-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Nc1cc(B(O)O)c2cc(N)sc2c1	306833738	OIMOENJONZJBON-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C1NOC[C@H]1N1CC[C@H](Br)C1=O	306836454	UMXHDSDJTCRVGJ-CRCLSJGQSA-N	249.064	-0.588	50	10	BBGE	
CNC(=S)NNC(=O)[C@H]1CCSC1	307696832	LCLJMGMYLACDBT-YFKPBYRVSA-N	219.335	-0.135	50	10	BBGE	
CCCC1(O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	384148794	OTFPUBNQDMQDDE-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCOC(=O)/C(C#N)=C\c1ccc(B(O)O)cc1	385022966	DFUODULZYWZKBQ-YFHOEESVSA-N	245.043	-0.164	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1O2	395383380	UHIUAKWDYDHLEK-LXGUWJNJSA-N	227.264	-0.952	50	10	BBGE	
Nc1cc(B(O)O)c(C=O)c2sccc12	396252910	JAIRMVNZQANPGT-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1C[C@@H](N=C=O)CN(S(=O)(=O)N(C)C)C1	398799418	AQVXGUUNOKBEDR-DTWKUNHWSA-N	247.320	-0.161	50	10	BBGE	
Cc1nc(C(=O)Nc2cccc(B(O)O)c2)n[nH]1	404970934	PFCBGAAGDHBDPG-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)C(=O)NN)[C@@H](C)O1	686388269	GFIZNWOTZDMAJL-PRJMDXOYSA-N	229.280	-0.752	50	10	BBGE	
CN1CCN(c2nnc(CCl)o2)C[C@@H]1CO	687609730	FNMYYCCUIDDPQB-SSDOTTSWSA-N	246.698	-0.079	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@]12COC[C@H]1C2	689152949	FQIWPONAZFJBCS-PRHODGIISA-N	247.059	-0.659	50	10	BBGE	
CO[C@]1(C(=O)O)CCCN(C(=O)NN(C)C)C1	697285915	NZJCSCNQSJCCLY-SNVBAGLBSA-N	245.279	-0.262	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@@H]1CN(CC(=O)NN)C[C@H]21	707994355	YCRCDNAHVPPESN-DBIOUOCHSA-N	238.335	-0.752	50	10	BBGE	
Cc1cc(NC(=O)c2cnc[nH]2)cc(B(O)O)c1	709747198	LJWCKDKYMRZUCR-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC[C@@H](OCCOC1CC1)C(=O)NN	711943559	FAXHFJYURNHIBV-MRVPVSSYSA-N	202.254	-0.050	50	10	BBGE	
CN(C)NC(=O)Cc1csc(CN)n1	719067575	CSMHXHSMAQTUAC-UHFFFAOYSA-N	214.294	-0.263	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=S)[C@H]1CCCO1	720574178	YLWWBFGCILTCGN-PHDIDXHHSA-N	217.294	-0.334	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)NC1CCC1	745834368	ORSMLHDBJCEHFC-MRVPVSSYSA-N	243.263	-0.715	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1conc1C	814900606	AIYSTNKJALJZRQ-UHFFFAOYSA-N	240.219	-0.211	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	823474951	MSOSNIFYOYKMFS-JQCXWYLXSA-N	242.275	-0.406	50	10	BBGE	
CC1(F)CN(C(=O)c2ccc(B(O)O)cc2)C1	867915646	NNLIDCFOKCNFMT-UHFFFAOYSA-N	237.039	-0.450	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NNC(C)=O	905067949	SIXIJBCXJCYGGD-APQOSEDMSA-N	200.238	-0.175	50	10	BBGE	
Cn1cc(C=NNC(=O)CCO)c(Cl)n1	1118771014	XWIWKGGWEQNHKN-UHFFFAOYSA-N	230.655	-0.094	50	10	BBGE	
CCn1cc(COc2ccc(B(O)O)cc2)nn1	1345090369	NJDJGKKDRPLIGP-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@]1(C)CC1(F)F	1447799345	CJSGIDIKPJLMSX-MRVPVSSYSA-N	236.218	-0.050	50	10	BBGE	
C=C1CN(C(=O)c2cccc(B(O)O)c2)C1	1453265089	VDAONHLUSJAAGQ-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccccc2)n1	1466256751	BEDQMLVZRUZDLY-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
CC(=O)NNC(=O)Cc1nnc(C)s1	1539518979	ZDJGSHVTWMDRHG-UHFFFAOYSA-N	214.250	-0.444	50	10	BBGE	
CC(=O)NNC(=O)c1cn(C)nc1Cl	1623586186	LVOWFUOGTXHITM-UHFFFAOYSA-N	216.628	-0.146	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1ccnnc1	1626756679	WPLKJOTXQKOTRH-SNVBAGLBSA-N	236.231	-0.825	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1n[nH]cc1F	1627566408	UGYNQHMJSASGRK-YFKPBYRVSA-N	216.216	-0.494	50	10	BBGE	
O=C(CC1CC1)NNC(=O)c1nsnc1O	1636542195	SXHYNTZAMNLPSS-UHFFFAOYSA-N	242.260	-0.195	50	10	BBGE	
O=S(=O)(CCl)Nc1nc(O)n[nH]1	1881464241	YJVFWXBUTUUDPK-UHFFFAOYSA-N	212.618	-0.552	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Br)c1nn[nH]n1	1883564849	XBWRWSIWBUEDCE-IMJSIDKUSA-N	246.068	-0.287	50	10	BBGE	
NC(=O)[C@]1(O)CCN(CC=CCCl)C1	1884308621	LRLHBKZLIGZSLR-VIFPVBQESA-N	218.684	-0.297	50	10	BBGE	
CO[C@H](CN)CNC(=O)[C@H]1C[C@H]1Cl	1888749059	RQMHEUINJCUHBA-DSYKOEDSSA-N	206.673	-0.296	50	10	BBGE	
CN(CCC(=O)NN)C1CC(CO)C1	1890518702	CHSROBLVCNJSNA-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
N=C(O)OCCNC(=O)C=CC(=O)Cl	1893410597	LJZFVBONVLUBJK-UHFFFAOYSA-N	220.612	-0.066	50	10	BBGE	
CS[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NN	1893803784	JLHJDYMAFXDFOB-PHDIDXHHSA-N	217.294	-0.671	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@H]1CO	1900534632	QMXNJFXFDCQOMZ-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CN(NC(=O)[C@H](C#N)C1CCC1)S(C)(=O)=O	1901349202	VVWNTMUCLZQNAO-MRVPVSSYSA-N	245.304	-0.151	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CC[C@H]1C1CC1	1902507755	GEDJDKDCTJTASC-BDAKNGLRSA-N	225.292	-0.081	50	10	BBGE	
COC[C@@H](CN1CC[C@@](C)(B(O)O)C1)OC	1902542184	WJLRBWSHGXCYDS-NXEZZACHSA-N	231.101	-0.413	50	10	BBGE	
CC[C@](C)(CN1CC(F)(CO)C1)C(=O)NN	1902712711	HEBVHGYOFGNGLP-SECBINFHSA-N	233.287	-0.591	50	10	BBGE	
CC[C@](C)(Cn1cccnc1=O)C(=O)NN	1902727365	CGQUCUNWXADAHG-SNVBAGLBSA-N	224.264	-0.351	50	10	BBGE	
NNC(=O)CN1CCCN(C2CCC2)C1=O	1905321869	YFPWAIDBMQFOPE-UHFFFAOYSA-N	226.280	-0.344	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914011547	SSODWXUZCVUAGB-VHSXEESVSA-N	243.351	-0.049	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(CC3)C2)n1	1914513526	KOIFLCPLSQALHT-UHFFFAOYSA-N	222.248	-0.126	50	10	BBGE	
CC(C)(CCN1CC[C@](F)(CO)C1)C(=O)NN	1917101602	WYOPFYXUZWSXRS-LLVKDONJSA-N	247.314	-0.201	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccccc1=O	1927911044	LLCZUYCKMYTROT-HTQZYQBOSA-N	207.233	-0.526	50	10	BBGE	
NNC(=O)COCCN1CCCCO1	1928674597	AEUOSYMREGMCBF-UHFFFAOYSA-N	203.242	-0.980	50	10	BBGE	
OB(O)c1ccc(CN2CCCO2)cc1	1928682115	OIOCLZDLOKABHO-UHFFFAOYSA-N	207.038	-0.496	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@@H]1CN(C)C[C@H]1Cl	1928957106	IIJWZFAXDUUYGV-DOLQZWNJSA-N	234.727	-0.089	50	10	BBGE	
CO[C@H](C(=O)N(C)N)[C@H]1CCCOC1	1930601626	WFVDQCGGEMDFSE-YUMQZZPRSA-N	202.254	-0.240	50	10	BBGE	
CC[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1O	1935926330	PMMVUDWGJCNZRP-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCC[C@H]1O	1936092899	YOHOSBVHADKHTK-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)CC(C)(C)O	1936094266	LPWGFCDIQSSIIN-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)c2cn(C)nn2)C1	1937188617	DUVLKZTZHAUSLZ-RNFRBKRXSA-N	243.698	-0.534	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	1937985638	UFSQOJVCCUVUPC-YWVKMMECSA-N	229.324	-0.152	50	10	BBGE	
CON(C)C1CN(CCC(C)(C)C(=O)NN)C1	1941107341	PCJNBPBWJNAEJJ-UHFFFAOYSA-N	244.339	-0.430	50	10	BBGE	
OB(O)C1CCN(Cc2cncnc2)CC1	1951322144	WADFBNLYLABATQ-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
CN1CC[C@H](N(C)C[C@H](O)CCl)C1=O	1956256381	NGSYMHTYOUKPSK-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
O=C1CN([C@H]2CN3CC[C@H]2C3)CC(=O)O1	1958219461	WPKWGWZYXKCSMZ-YUMQZZPRSA-N	210.233	-0.924	50	10	BBGE	
COC[C@H](C)C(=O)N1CCC(B(O)O)CC1	1964499936	DLMCXKHBCWZBMG-QMMMGPOBSA-N	229.085	-0.266	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1C[C@H](O)C1	1975304349	QOMTWQDLPCRINO-JBDRJPRFSA-N	215.297	-0.544	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1C[C@H](O)C1	1975304365	QPZOAHGUSBCMBH-ZKCHVHJHSA-N	213.281	-0.788	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)CC[C@H]1CO	1979552201	VYRLMZWBUGCUML-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1C[C@H]2O	1981216066	FPRWZDLGZBPUBN-LOLPMWEVSA-N	227.308	-0.544	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217674	WHTXFUBSAUOJAR-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1ccc(B(O)O)cn1	1981409762	RGUOLMIVKNTSTI-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnc(SC2CCOCC2)nc1	1981454616	MWGLGEYAZFSUJY-UHFFFAOYSA-N	240.093	-0.573	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1[C@@H]2CCO[C@H]21	1983253029	QJVZIMYLYRIWHL-LXGUWJNJSA-N	247.678	-0.082	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2C1	1986161933	JXGOAJBCDSGNAF-PSVAKVPMSA-N	225.292	-0.081	50	10	BBGE	
C[C@@H]1[C@@H](N(C)CC(=O)NN)C2CCN1CC2	1989762368	WDPNEIZOFOOIHT-LDYMZIIASA-N	226.324	-0.609	50	10	BBGE	
CC[C@@H](CN(C)CC(=O)NNC(C)=O)OC	1990745290	HGBRNLYKIGFQMP-VIFPVBQESA-N	231.296	-0.490	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C)C[C@H]1C)B(O)O	1992147130	ZJJDHHMNGRZQQB-MWLCHTKSSA-N	226.129	-0.173	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)C[C@@H]1CO	1993217095	GHHLHOKWEIFNOD-FLPBZWPXSA-N	247.678	-0.348	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)C[C@@H]1CO	1993217097	GHHLHOKWEIFNOD-HTQZYQBOSA-N	247.678	-0.348	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21)C(=O)NN	1997188717	LNHBEAORDNTCGK-HXFLIBJXSA-N	237.303	-0.131	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)C[C@@H](C)C1	1997245101	NMMFIHJVNISISH-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
CC[C@@H]1CN2CCC[C@@H]2CN1CCC(=O)NN	2004369153	KNVPUVCKBIUZSG-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
COc1cncc(Cn2cc(B(O)O)cn2)c1	2004583143	BCIFEWRKBAOTMT-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@@H]1C[C@H](OCc2cc(C(=O)NN)no2)CO1	2004761173	GQKOCTKYPFVOJJ-RQJHMYQMSA-N	241.247	-0.028	50	10	BBGE	
CCOC1CN(c2ncc(C)cc2B(O)O)C1	2005015138	WOZDGAOBFUACGS-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(=O)NCC1(C)C	2006926071	SIJPMDQZBKVJEB-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C=CCCN2)CC1	2011301126	GDZQNCIFUOMZQD-JTQLQIEISA-N	235.287	-0.218	50	10	BBGE	
CCN(C)CCCOc1cncc(B(O)O)c1	2013444307	ZQXWHNFTFULAGM-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@H]2CC[C@H]21	2015990991	SNTIXMRZOYNZEU-RNJXMRFFSA-N	249.261	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CC1CC1)C1COC1	2018186830	GWEGRYXIIDWJOZ-MWLCHTKSSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H]2CCC[C@@H]1COC2	2021404413	OYYGVDQIHVBUTE-ZNSHCXBVSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccccc1B(O)O	2022200224	QBCYTNOYQNWKRI-KCJUWKMLSA-N	233.076	-0.153	50	10	BBGE	
COc1nc(O[C@H]2CC2(C)C)ncc1B(O)O	2023144086	RXVUTMQALRSTHQ-ZETCQYMHSA-N	238.052	-0.658	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ccc(B(O)O)cn3)C[C@H]21	2025801398	REEQCYCSSFVHBK-KKZNHRDASA-N	232.092	-0.146	50	10	BBGE	
NNC(=O)c1ccccc1OCCN1CCC1=O	2030191582	JVEHNYZYNSQWRQ-UHFFFAOYSA-N	249.270	-0.099	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ccnc(B(O)O)c3)C[C@H]12	2042945198	SRBPRTUJKSFTIW-GMEUVTARSA-N	246.075	-0.254	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@@H]3CC(N)C[C@@H]23)CC1	2050082259	QFMZYJNFJYIMGA-WYNUPADASA-N	249.314	-0.153	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ncncc1B(O)O	2052467493	RKABDRPBKIECNE-KXUCPTDWSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@@]2(C)C3)c1B(O)O	2052560159	UKJMKTBQOHWMPW-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
CC(C)Oc1cnn(-c2ncccc2B(O)O)c1	2052602421	JOVLDVJKLCQPRP-UHFFFAOYSA-N	247.063	-0.266	50	10	BBGE	
CCCOc1c(B(O)O)cnn1CCC	2059985864	YCHFRMHUZTYHME-UHFFFAOYSA-N	212.058	-0.238	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCC#CCCO)[nH]1	2210515401	ZSUDPEAIPBYINO-UHFFFAOYSA-N	241.682	-0.757	50	10	BBGE	
CN(Cc1nscc1B(O)O)CC1(F)CC1	2211135770	LQOPOZRCFMALGB-UHFFFAOYSA-N	244.100	-0.243	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](N(C)C)C(C)(C)C1	2211494089	YXAJELMPKBWZTK-RKDXNWHRSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1CC[C@H]1C(=O)NN	2211839592	WTKMDQAGRSQDGM-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCN1CC[C@@H](O[C@@H](COC)C(=O)NN)C1	2212259264	COPLZDBBOLNJRJ-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
OB(O)c1cnc(NC2(C3CC3)CC2)nc1	2212613870	ZTMBXBKLEWBWJP-UHFFFAOYSA-N	219.053	-0.489	50	10	BBGE	
N#C[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2212615239	MBJZREVXWLRWFO-MRVPVSSYSA-N	217.037	-0.889	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](O)[C@H]2C1	2215778059	XABFNPXDUVVNGN-XXFSISAASA-N	239.319	-0.685	50	10	BBGE	
OB(O)c1ccc(OC[C@@]2(F)CCOC2)cc1	2216335437	LYTBJUJMPODQCQ-LLVKDONJSA-N	240.039	-0.126	50	10	BBGE	
NNC(=O)C1(CN2CC(O)(C(F)F)C2)CCC1	2216528604	QUMKVIJACFDPON-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
NCCCCCCOc1ccc(B(O)O)cn1	2217171240	CBNDOQVEJKIUJJ-UHFFFAOYSA-N	238.096	-0.341	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCCN1	2217175433	IRLGNJWGUBSVEF-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
C#CCCN(CC)c1cc(B(O)O)c(C)cn1	2217180369	GZLVYYDUAYAAJC-UHFFFAOYSA-N	232.092	-0.081	50	10	BBGE	
CCC1(Nc2cc(B(O)O)c(C)cn2)CNC1	2217182261	BEUCOXXIHGOYPY-UHFFFAOYSA-N	235.096	-0.766	50	10	BBGE	
NCCCCCCOc1ncc(B(O)O)cn1	2217190909	AXRHFJIRULCDOE-UHFFFAOYSA-N	239.084	-0.946	50	10	BBGE	
COC[C@H]1CC[C@@H]1Nc1ncccc1B(O)O	2217196979	WDXJRNHMJGGXTP-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC23CC(O)C3)nc1	2217200065	HQOJQBVETRIGMC-INWMGODYSA-N	234.064	-0.913	50	10	BBGE	
NC(=O)C1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CCC1	2217298189	WFYYJMGBTJKBSN-BQBZGAKWSA-N	238.243	-0.689	50	10	BBGE	
C[C@H]1CNC[C@H](CNc2cc(B(O)O)ccn2)C1	2223626926	KJMBLRSIZIIZJC-NXEZZACHSA-N	249.123	-0.581	50	10	BBGE	
C#CC[C@@H](CN=c1ncc(B(O)O)c[nH]1)C1CC1	2223627963	ONIYHFKZVLAKFI-JTQLQIEISA-N	245.091	-0.960	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2CNC[C@@H]2C1	2223650808	RCVFWGLZQPLYFZ-ILWJIGKKSA-N	248.091	-0.862	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cnn(C)c1	2223654275	ZDJOKRJYUSQLPA-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccnc(N2CC=CCC23COC3)c1	2223671787	PQNVPHZWINVNIJ-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
O=C(NNCCO)C12COCC(C1)C2	2242144668	VWFBUXVGJVMVIZ-UHFFFAOYSA-N	200.238	-0.974	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1coc(B(O)O)c1	2243347889	RLUACWGOXNYYAR-SSDOTTSWSA-N	221.021	-0.758	50	10	BBGE	
C[C@H]1COCCN1C(=O)C1(B(O)O)CCC1	2243349615	NWQWVHOYXZGUOE-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccc(B(O)O)o1	2243357489	XKASNWXAHHEKHC-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
CCCCOCCNC(=O)C1(B(O)O)CC1	2243366077	XDAYOEPUUNUJKG-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243396654	PBFMUPIDUGDVDC-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
CNCC[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243397190	XANCVJCALRGJJV-AFPNSQJFSA-N	228.101	-0.646	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H](F)C1CCCC1	2243401083	LVWOCOCLWCOOTI-VIFPVBQESA-N	227.044	-0.354	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cscc1B(O)O	2243410610	FCUWTWIYMBGVHV-RCOVLWMOSA-N	239.105	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)NC/C=C/CCC)B(O)O	2243413120	ZVWIXGGYMDEDMK-AATRIKPKSA-N	247.125	-0.170	50	10	BBGE	
C=C(CS(=O)(=O)NCC[C@H]1C[C@H]1C)B(O)O	2243433968	SGFHOLPBHUMUTJ-APPZFPTMSA-N	247.125	-0.480	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(C(=O)O)CC1	2243753654	XWQHZMAUQPIYEN-UHFFFAOYSA-N	227.025	-0.931	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)CC1COC1	2243985952	DCQUCVPGVZQEAU-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C[C@@H]2CCCC[C@@H]21	2246630350	NKLGHYKJKSRQPC-AXFHLTTASA-N	241.335	-0.008	50	10	BBGE	
COc1ccc(B(O)O)c(-n2cc(F)cn2)n1	2247141868	QFOBRDVJKXTQBV-UHFFFAOYSA-N	236.999	-0.905	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C(=O)C1(B(O)O)CCC1	2247733156	MXTGCKLHGNOIJU-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247740139	GOHLHGKDKLGZKL-UHFFFAOYSA-N	234.064	-0.916	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccc(F)c(B(O)O)c1	2247752109	IOEPKXFLLIBSCO-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NOC(C)C)n1	2247753530	AGTBVHLBHSZVFU-UHFFFAOYSA-N	238.052	-0.860	50	10	BBGE	
Cc1cnc(C(=O)N(O)C(C)C)c(B(O)O)c1	2247787493	PXHJYSOFXTUGRO-UHFFFAOYSA-N	238.052	-0.690	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(C)c(B(O)O)o1	2247789403	VOTYZRYSERJLKL-MRVPVSSYSA-N	235.048	-0.591	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(C)c(B(O)O)o1	2247790279	BXMCTPQSGHWCAA-MRVPVSSYSA-N	237.064	-0.108	50	10	BBGE	
N[C@H]1CCCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247804194	FRFBEVWGVUFKCR-GUBZILKMSA-N	240.112	-0.421	50	10	BBGE	
CN(C)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247806144	MFTVXFDGRKEVFM-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCOC1	2247808700	LWMDOLTYHWLYDW-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2247810053	UFXYQCROCGMYDJ-LPEHRKFASA-N	243.112	-0.021	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2247810366	WUUMUDBZUHNSEA-WOOKNIGNSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]1C(F)(F)F	2247847224	UEWUMXDAWKORSD-RNFRBKRXSA-N	248.997	-0.151	50	10	BBGE	
O=C(NCC1(F)CC(CO)C1)C1(B(O)O)CC1	2247874402	LSSPXXPQYGODQF-UHFFFAOYSA-N	245.059	-0.780	50	10	BBGE	
COCCOCCNC(=O)C1(B(O)O)CCC1	2247879200	RFTSNQIZLQNCES-UHFFFAOYSA-N	245.084	-0.837	50	10	BBGE	
O=C(N1CCN2CC[C@H]1C2)C1(B(O)O)CCC1	2247879790	VVTDBHPPJFVYGF-VIFPVBQESA-N	238.096	-0.700	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC(O)C[C@@H]2C1	2247886782	GHTNPODTDLUTGJ-ZXZZCXTASA-N	239.080	-0.921	50	10	BBGE	
COc1ccncc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247887549	PGFMCTPYCIGAMA-RNFRBKRXSA-N	236.036	-0.108	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCOC1	2247895153	PFTVMWUZZVZMRG-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CCC(CC)(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248574845	VIPIJVFSJDISRY-RNFRBKRXSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248578112	QFHJGHFVJJWJQO-SZWNGJMLSA-N	247.031	-0.833	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586560	CQZVBTKMSLCNLD-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
C#CC1(CNC(=O)c2cc(B(O)O)co2)CC1	2249410145	LVYSGZASCMFPNP-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
O=C(NCC1=CCCC1)c1cocc1B(O)O	2249424279	QJFTUDHUTHKAIK-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1ccncc1B(O)O	2255450326	VXGANVDPFFEWEU-SECBINFHSA-N	246.075	-0.448	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(B(O)O)o1	2255461403	HMTCTESWOBMAQJ-XHNCKOQMSA-N	249.075	-0.265	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1occc1B(O)O	2255488799	JYXHZNWFGCAABN-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553424	YUGVNFXCHCTNJP-RDDDGLTNSA-N	249.079	-0.991	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cn1)[C@H]1CC1(C)C	2255592505	KKUHZTWYGKBIII-QMMMGPOBSA-N	249.079	-0.973	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1=O	2255673829	ILWUMEDCHDMGNL-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
O=C(NC1CC(=C2CC2)C1)c1ccoc1B(O)O	2255675172	WWBAAVHEYGIVBX-UHFFFAOYSA-N	247.059	-0.058	50	10	BBGE	
C[C@]1(CNC(=O)c2cc(B(O)O)c[nH]2)C=CCC1	2255680185	LGBVLQLOXBPKBD-LBPRGKRZSA-N	248.091	-0.219	50	10	BBGE	
CN(CC1COC1)C(=O)c1ccccc1B(O)O	2257522775	KYPZHDQWMLLILN-UHFFFAOYSA-N	249.075	-0.915	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1[C@H]2CCC[C@H]12	2258129620	XRMXEQKZSFHYDA-IUCAKERBSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1cocc1B(O)O	2258132247	FURLDFPLBSVPEH-VHSKPIJISA-N	249.075	-0.122	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2C[C@@]2(O)C1	2298165421	AAULTEQDCJKYHU-UXCLJVHYSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)OC1	2298371631	QHBIXKPNOPLCDV-XFWSIPNHSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298374627	FXYDQTFESMGMRN-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2301347004	WTRCWBQDFPTYPV-JTQLQIEISA-N	234.064	-0.579	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@@H](F)C1)C(=O)NN	2303410910	QTOSDJIDNBCHFL-ATZCPNFKSA-N	247.314	-0.203	50	10	BBGE	
CC(C)CN1CCN([C@@H](C)C(=O)NN)CC1	82468612	JHLMVDVHJXBYKS-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](N(C)C)C1	82469328	XPKRRCHHRGNMMP-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CC(C)[C@@H](Sc1nncn1N)C(=O)NN	82472930	XHRDSKMVNXOGKE-RXMQYKEDSA-N	230.297	-0.902	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)OC(=O)C1	102210363	CUIGRVYVXDTWCO-BYPYZUCNSA-N	205.597	-0.474	50	10	BBGE	
NNC(=O)CCOc1ccc(C(N)=O)c(F)c1	125695594	OMTSHUUXFONEGU-UHFFFAOYSA-N	241.222	-0.317	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CCCC(=O)NN)C1	166155560	WIYNZIMRAIIZNF-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(NCCCl)NCc1cc(=O)[nH][nH]1	170284759	DGEWRTMVKMOTTC-UHFFFAOYSA-N	218.644	-0.259	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](N)C1	216481487	QTVOFWCKOBVMFU-HTQZYQBOSA-N	200.286	-0.822	50	10	BBGE	
O=C1[C@@H]2C[C@H]2C(=O)N1C[C@@H](O)CBr	225619094	JJOVHDOAMQPGFY-KVQBGUIXSA-N	248.076	-0.253	50	10	BBGE	
COCCN(C(C)C)[C@H](COC)C(=O)NN	232420644	LGSRLWDECUIHNZ-SECBINFHSA-N	233.312	-0.652	50	10	BBGE	
CCOC[C@H](C)OC[C@@H]1CC[C@@H](C(=O)NN)O1	233769992	YAXKMRCBABXQNZ-GUBZILKMSA-N	246.307	-0.035	50	10	BBGE	
O=C1CN(CCOCC2CC2)CC(=O)O1	236403327	RRYYXNWVTZOFJZ-UHFFFAOYSA-N	213.233	-0.202	50	10	BBGE	
O=[N+]([O-])c1cnc(Cl)cc1B(O)O	238617540	QOENIBGORPAZMF-UHFFFAOYSA-N	202.362	-0.677	50	10	BBGE	
O=C1NN=C(O)C(=O)[C@@H]1Br	238642398	PMXXEKRJARZYGN-SFOWXEAESA-N	206.983	-0.680	50	10	BBGE	
C[C@H](CN1CCO[C@H]2CCC[C@H]21)C(=O)NN	251102854	NIVGKAREABITNN-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
NCc1ccc2c(c1)CC(=O)N2C(=O)NN	258696411	GHTXKEMVFQDVTG-UHFFFAOYSA-N	220.232	-0.382	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1CO	299911278	NIFFJAARVUMZJK-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
Cn1ncc(C(=O)NCCBr)n1	307587471	UDHYNDJAPPKFSU-UHFFFAOYSA-N	233.069	-0.060	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)NNC(N)=S	307661299	GIOSWGNOXHTOBQ-CRCLSJGQSA-N	202.283	-0.168	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@H](C)N)[C@H](C)Cl	308466185	GKNNVNKQQPFWOG-HCWXCVPCSA-N	222.672	-0.381	50	10	BBGE	
NC(=O)NN=C(C(N)=O)c1ccccc1	379700011	HBZOATSEVHEOQB-UHFFFAOYSA-N	206.205	-0.456	50	10	BBGE	
CC(=O)Nc1ccc([C@H](C)O)cc1B(O)O	380513897	QLIQSNKLESYHJY-LURJTMIESA-N	223.037	-0.622	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCn1cnnc1	381961139	YYQSRNTYWLFOFB-ZCFIWIBFSA-N	245.670	-0.269	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@H](C)C(=O)NN	389375996	ASCLBFKOVQLYLN-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
O=C([C@H]1C[C@@H](O)CN1)N1CCSSCC1	389716188	NZQUIJYFLPXHLT-HTQZYQBOSA-N	248.373	-0.067	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394368001	VMPCUEKMEYRNNT-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
O=C(O)CCc1cc(F)ccc1B(O)O	396026614	QBHOOEANGLPMFL-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
COc1ccc(CCC=O)cc1B(O)O	396032725	OISDCMVQYQPQCY-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1CC#N	396137569	LOGKPOGKEHXJJW-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Nc1cc2c(CO)cc(B(O)O)cc2s1	396255283	XPUZTZMIEMQOBQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC[S@](C)=O	399897638	JKUIJVSKGWYSED-UOWDBTKRSA-N	221.326	-0.935	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC2CCC1CC2	400023382	MNJDSLXPENQTSY-HACHORDNSA-N	225.292	-0.081	50	10	BBGE	
CC1(C(=O)Nc2cc(B(O)O)ccn2)CC1	404903860	AZFRMWUJTBYJAG-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(B(O)O)c(F)c1	405029611	MIKQYHSNDIVPDK-ZCFIWIBFSA-N	241.027	-0.521	50	10	BBGE	
CCN(CCCC(=O)NN)CCN(C)C	688911432	NSTCZJGEGKJPIE-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H](O)C1CC1	690156129	RENOSMQGCWCNMX-APPZFPTMSA-N	215.297	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690211072	ILTICPLBMKOHDY-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
Cc1cnc(CCn2cc(B(O)O)cn2)c(C)c1	694547816	IJOQAQULUPUFSE-UHFFFAOYSA-N	245.091	-0.183	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@](C)(C2CC2)C1	694832207	CQCLOXKQYZNARU-KWQFWETISA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C[C@@H](C)C1	707564203	LBPKWYNSIHZTRQ-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1CC(=O)NN	708295088	GWSKEAWLJWWUBC-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CC1(C)CO[C@@H](Cn2cc(B(O)O)cn2)C1	708544582	LBUPOWBMAZDVSX-SECBINFHSA-N	224.069	-0.622	50	10	BBGE	
OB(O)c1cncc(OCCOC2CC2)c1	711733618	SRJUZCVZKAWTJG-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
CN(C)C[C@H](CCl)NCCS(C)(=O)=O	716723696	NFKHARFMURTVBN-QMMMGPOBSA-N	242.772	-0.210	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@@H](O)[C@@H](C)O	717356550	PTTZUQHMUNRNHK-KVQBGUIXSA-N	240.097	-0.372	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(CCCC(=O)NN)C1	721775786	DOFNKNHFDTZVMU-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]1N	818216419	HCUJXTKARKPEDP-RITPCOANSA-N	200.242	-0.974	50	10	BBGE	
COC1(C(=O)NNC(=O)c2ccc[nH]2)CC1	843756698	BEYJAMQGVNDZKI-UHFFFAOYSA-N	223.232	-0.045	50	10	BBGE	
COCC(=O)NNC(=O)Cc1ccccc1O	855757692	HLRQPFXDUZRKJL-UHFFFAOYSA-N	238.243	-0.272	50	10	BBGE	
C[C@H](CC(=O)NNc1ncccn1)NC(N)=O	1118309279	OSQWCNMKRAONBP-ZCFIWIBFSA-N	238.251	-0.633	50	10	BBGE	
O=C1OCCN1CCNS(=O)(=O)CCl	1260937647	DTNDLHBMDISMGF-UHFFFAOYSA-N	242.684	-0.446	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@H]1CCNC(=O)CC1	1570738702	LJWPGAFTMYNOEI-RKDXNWHRSA-N	243.307	-0.754	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1ncccn1	1626776631	VNPNUEKDMHTJEE-JTQLQIEISA-N	238.247	-0.601	50	10	BBGE	
CNC(=O)NNC(=O)c1cnnc(C)c1	1630972023	DZCMUDUGKXNVNG-UHFFFAOYSA-N	209.209	-0.641	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)c1cccnn1	1644567212	BNBDCSHSIAXBFV-SSDOTTSWSA-N	238.247	-0.744	50	10	BBGE	
CC(=O)C1(C(=O)NNC(=O)c2ncccn2)CC1	1654643590	KKPQDLBIBOXIFW-UHFFFAOYSA-N	248.242	-0.393	50	10	BBGE	
O=C([C@H]1C[C@H]1Br)N1CCNNCC1	1877404985	RPZBNMDQRQCCDO-NKWVEPMBSA-N	248.124	-0.294	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCC[C@@H](O)CO	1882383793	XTYHFHAYFSNDTJ-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
O=C(CNCCO)NC[C@@H]1C[C@H]1Cl	1883562460	BWQJELAEDWZLFR-NKWVEPMBSA-N	206.673	-0.688	50	10	BBGE	
O=C(NCC(CO)CO)[C@H]1C[C@@H]1Cl	1883638409	FWIRVDBMUAUJLY-BQBZGAKWSA-N	207.657	-0.669	50	10	BBGE	
O=C(CCl)N[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O	1884552474	BCXUGRPRCFPJDM-VHKYIWFCSA-N	219.668	-0.384	50	10	BBGE	
C=C(CN1CCOC[C@H](F)C1)B(O)O	1887142393	LGENRUXCCPQYNU-MRVPVSSYSA-N	203.022	-0.775	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H](C)N(C)C	1888051416	XSGLAYICROWIAY-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@@H](N)[C@@H](O)C#N	1894468933	NTVUGZIXEAFQBD-BQBZGAKWSA-N	224.220	-0.909	50	10	BBGE	
CC(C)[C@@H]1C[C@]1(N)C(=O)NN(C)S(C)(=O)=O	1901340523	GLINENSSIGNODC-IONNQARKSA-N	249.336	-0.718	50	10	BBGE	
C#C[C@@H](CC)Oc1cc(B(O)O)c(F)cn1	1903019848	DAVXCHTXOYLILA-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
CO[C@@H]1CN[C@H](CN2CCC(O)(C#N)CC2)C1	1906685030	FVQQJGFPHFOBRB-QWRGUYRKSA-N	239.319	-0.286	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@@H](C)C(=O)NN)C1	1912262570	ZXOFVGOPOQLSPI-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CN)C(C)(C)C1	1913127039	MKBNGESBLLPAMP-SECBINFHSA-N	242.323	-0.930	50	10	BBGE	
CO[C@H]1CCN(CC(F)(F)C(=O)NN)[C@@H]1C	1914345424	FXOWCDKQWFYOFO-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
O=C(NNCCO)[C@@]12CCC[C@@H](C1)OC2	1925068473	OBNXDTAAEBVSGZ-WPRPVWTQSA-N	214.265	-0.441	50	10	BBGE	
CN(CCOCC(=O)NN)CC(C)(F)F	1928180322	ZKEXRTNJJYNNOA-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
CC(C)c1nnsc1C(=O)NNCCO	1929838633	QNRLCGRNNCIISG-UHFFFAOYSA-N	230.293	-0.112	50	10	BBGE	
CN(C)[C@@]1(C)CCN(CC(=O)NN)C1	1930373495	KMNLCVBSYZNGIM-VIFPVBQESA-N	200.286	-0.998	50	10	BBGE	
CO[C@@H](C(=O)N(C)N)C1CCOCC1	1930601785	YLJBPDAKQZDROM-MRVPVSSYSA-N	202.254	-0.240	50	10	BBGE	
C[C@H](CN1C[C@H](CO)C2(CC2)C1)C(=O)NN	1935770429	GKXMNDIHPOYJQA-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cc(F)ccc1=O	1935924918	GMMUJOWMGGTRNV-UHFFFAOYSA-N	235.165	-0.387	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)S(=O)(=O)C1	1938232600	LDRGHMCCWLVVIJ-SSDOTTSWSA-N	247.320	-0.962	50	10	BBGE	
C[C@H](CN1CCOC2(CCC2)C1)C(=O)NN	1938566888	SFLOXELXXFDFCN-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CC1(C(=O)NN)CC1	1939642037	RTLJCCVCWGURQP-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H]2CC[C@H]1CC(O)C2	1941079766	QRNLXBSAORKTEJ-KBIXCLLPSA-N	239.319	-0.400	50	10	BBGE	
Cc1nn(C[C@]2(C)CCCO2)c(C)c1B(O)O	1947436585	NVPILVMPZIVZPL-NSHDSACASA-N	238.096	-0.251	50	10	BBGE	
C[C@H]1CN(C[C@H](O)CCl)CC(=O)N1C	1956260028	DJAPBNGJWBQLFA-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
NC(=O)[C@@H]1COCCN1CC=CCCl	1956260343	JHZQANFODINTCV-QMMMGPOBSA-N	218.684	-0.033	50	10	BBGE	
CN(CCN1CCCC1=O)C(=O)NN	1956860610	CTFPHSBZQDEFGE-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
OB(O)c1ccc(OCC2COC2)cc1	1961319480	GWBIRKMRUIUHIZ-UHFFFAOYSA-N	208.022	-0.608	50	10	BBGE	
NNC(=O)C(=O)NCC1(C2CCC2)CC1	1961542747	RQLGISXAHAJXBQ-UHFFFAOYSA-N	211.265	-0.327	50	10	BBGE	
Cc1nc(N(C)C2CC2)ccc1B(O)O	1961718537	PWSVKGVDEDHKBK-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
NNC(=O)c1sncc1Cn1ccnc1	1961920991	FILLEPGJHACOMS-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F	1970062889	NEXIXRRXJWROOR-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H](O)C1	1975104459	QPSLOHQEAPGYRO-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
CC[C@@](C)(CC(=O)NNCCO)C(=O)O	1975275559	GXAQTVFMSKWNMN-VIFPVBQESA-N	218.253	-0.510	50	10	BBGE	
COCCN1CCN(C(=O)[C@@H](C)Cl)CC1=O	1976094433	YUAQGWHQEMOUJL-MRVPVSSYSA-N	248.710	-0.069	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@H](C)C1	1976441197	MRNZGMJJQWIAQE-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1978832041	MJPUHADPPFOTPA-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CCN(CC)C[C@@H]1CCN(CC(=O)NN)C1	1980791288	PAXTWSFSZKJNCD-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
NNC(=O)c1sncc1CN1CCOC1=O	1981730102	JXDCFFICPRZAGG-UHFFFAOYSA-N	242.260	-0.301	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)c1nc(=O)o[nH]1	1983911554	CUNBRMBRICRNHK-GSVOUGTGSA-N	248.626	-0.512	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ncn(C)n1	1984079871	GVILNSIIWKPHNB-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H]2CF)on1	1986085741	AALXLMKZQMCLFX-ZCFIWIBFSA-N	228.227	-0.178	50	10	BBGE	
CN(C)C1CC(OC[C@H]2C[C@H]2C(=O)NN)C1	1986221508	PKNHZBMOFUCBGU-SEZDTBSWSA-N	227.308	-0.278	50	10	BBGE	
O=C1CO[C@@H]2CCN(C[C@H](O)CCl)C[C@@H]2N1	1986841165	OTYHCYKZBUELSV-HRDYMLBCSA-N	248.710	-0.825	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@@H]2CC[C@H]21)C(=O)NN	1988711186	JNWOWSJDNFFMRS-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
C=C(CN1C[C@@H](N(C)C)[C@H](CC)C1)B(O)O	1992147107	ZDZQGTDCYGROOB-GHMZBOCLSA-N	226.129	-0.173	50	10	BBGE	
C=C(CN1CC2(CCC2)CS1(=O)=O)B(O)O	1992160395	WFHFWCFLBWTIDV-UHFFFAOYSA-N	245.109	-0.630	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)CCCCO1	1992635168	FYNTWFWAVKIKRW-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
C#CCC(=O)NCc1ccc(B(O)O)cc1	1994688808	SHYPBGHPGWCAOZ-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(F)(CO)CC1	1995937138	HAOKRSOYVYQVPJ-VIFPVBQESA-N	247.314	-0.059	50	10	BBGE	
CC(C)(C)NC(=O)Nc1ccc(B(O)O)cn1	1996647428	MKQVNUBUDALANZ-UHFFFAOYSA-N	237.068	-0.319	50	10	BBGE	
NNC(=O)c1cc(CN2CC=C[C@@H](O)C2)on1	2000935271	VDMZBVDTIAEKPR-SSDOTTSWSA-N	238.247	-0.989	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H]2C[C@@]2(O)C1	2004195539	ZCMXLZPKGAJZDY-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H]2C[C@]2(O)C1	2004195540	ZCMXLZPKGAJZDY-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
CCCN(CCOC)c1ncc(B(O)O)cn1	2004911639	JIJACKNJUBWOSW-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CCOCC2)n1	2004932727	YCBMRUXFIPBHHA-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(F)(F)F)n1	2005014791	QSLIYXKUGCGBBM-UHFFFAOYSA-N	249.001	-0.537	50	10	BBGE	
C[C@@H](CN1C(=O)[C@@H](C)C[C@@H](C)C1=O)C(=O)NN	2007785304	MUMHRYKKYDEQEX-RNJXMRFFSA-N	241.291	-0.357	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H](CCO)O1	2009339675	UVGHANLJVCAABW-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@@H]2C[C@H]2F)n1	2014736583	YFDBDZCOYZCGKA-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@H]2C1	2014770111	RDSUXVZAZXJNBT-BDAKNGLRSA-N	233.080	-0.607	50	10	BBGE	
Cc1nc(OCC2CC(C)C2)ncc1B(O)O	2017328190	HAWSKEPUDOIUNM-UHFFFAOYSA-N	236.080	-0.110	50	10	BBGE	
COC[C@@H](CC(C)C)C(=O)NCC=CB(O)O	2020068246	PGNXRCDLZQBWNF-SNVBAGLBSA-N	243.112	-0.021	50	10	BBGE	
Cc1ccccc1CC(=O)NCC#CB(O)O	2021162549	IEMUTKVHJNZUER-UHFFFAOYSA-N	231.060	-0.331	50	10	BBGE	
COCCOCOCc1cccc(B(O)O)c1	2022701580	BFKLWMQSPZCTBB-UHFFFAOYSA-N	240.064	-0.497	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@]1(C)COC	2024856460	VWPCDFGIFIESFI-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
Cc1c(C(=O)N2CCC(O)(C#N)CC2)nnn1C	2028064560	JYSAZOTXYNOQNW-UHFFFAOYSA-N	249.274	-0.386	50	10	BBGE	
CCCN1CCN(c2ncccc2B(O)O)CC1	2052492067	PUAOUVGKRDUPNS-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
O=Cc1cc(Cl)c(B(O)O)c([N+](=O)[O-])c1	2060132866	OJAXTBWLTSXDEO-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
Cc1cc([N+](=O)[O-])cc(C=O)c1B(O)O	2060283333	FXRMSEPXYCXCSN-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
OB(O)c1cccnc1N1CCCCC12COC2	2077133582	FMSPHSPAEFUIAP-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CN1CC[C@@H](COCC2(C(=O)NN)CC2)C1	2211768543	WVUGRAFMDLQUBS-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](CN)CCOc1ccc(B(O)O)cn1	2212603865	KCUCJZHHXVDXDN-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
CSCC1CN(c2cc(B(O)O)ccn2)C1	2212606276	RIBKFSKOFFTOQG-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCCC[C@]2(CO)C1	2216732295	XEYGPGJRCDPQCT-CMPLNLGQSA-N	241.335	-0.149	50	10	BBGE	
CCOC1(CNc2ccc(B(O)O)cn2)CC1	2217184732	VTTUBQABTLQLJV-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]2C2CC2)[nH]c1	2217185436	XHMAQNKYKMLURF-WPRPVWTQSA-N	233.080	-0.964	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@H](F)C2)nc1	2217202025	UBCHLDZJRBDWKU-IUCAKERBSA-N	239.059	-0.151	50	10	BBGE	
CN1CC[C@](C)(Nc2ccc(B(O)O)cn2)C1	2217203472	VNCWIULQSWSWIJ-NSHDSACASA-N	235.096	-0.733	50	10	BBGE	
CO[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217204362	IPIIUGQPQKWODV-BDAKNGLRSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217336198	CDWGTWRCHKTLSX-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
CN(C1COC1)S(=O)(=O)N1CC(Cl)C1	2241347804	GGEMUYVKOKHPEQ-UHFFFAOYSA-N	240.712	-0.515	50	10	BBGE	
CCN(OC)C(=O)C1CC(B(O)O)C1	2241474462	DIBQWHFAIFGIAR-UHFFFAOYSA-N	201.031	-0.351	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)F)oc1B(O)O	2243378536	VDXHJAZZIIBTGW-ZCFIWIBFSA-N	229.016	-0.644	50	10	BBGE	
C[C@@H]1CNCCN(C(=O)C2(B(O)O)CC2)C1	2243408026	FQQQDDUBHWOPRD-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2243410589	DTIOKPSPOAXWSF-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
CCCN(C[C@H](C)O)[C@@H](COC)C(=O)NN	2244881382	GJXPFCLSHSGMFN-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
C[C@H](N)[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245912929	JMSYHZLSQQAKBN-NTSWFWBYSA-N	243.503	-0.438	50	10	BBGE	
CC[C@@H](CNC(=O)c1ccoc1B(O)O)OC	2247744233	PNKVXYSRBZRZRF-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCC1=O	2247752935	YGYZEVZMMKLJJZ-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ncccc1B(O)O	2247772511	VVFNRKBUWRZCQX-VXNVDRBHSA-N	234.064	-0.758	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@@H]32)oc1B(O)O	2247789439	WDXRITFRXZPMQG-YUMQZZPRSA-N	235.048	-0.498	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCOC[C@@H]1F	2247799295	BORMLCORVSLUHL-XGEHTFHBSA-N	245.059	-0.565	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247800362	OELWELBOXXPYDN-KBIXCLLPSA-N	239.080	-0.465	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCC(O)CC1	2247806069	DBLOZUQFCAAUQU-UVCIYIGYSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)CCNCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247809189	YEHXCBBMILYDQR-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CN1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1(C)C	2247809903	SHRBAUKANVSSHE-YIZRAAEISA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247810598	YSLJRKSVCDOSFO-HLTSFMKQSA-N	240.112	-0.552	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247855601	VETFSRHVIGHYGG-UYXSQOIJSA-N	241.096	-0.485	50	10	BBGE	
O=C(N1CC2(CCOC2)C1)C1(B(O)O)CCC1	2247877712	JGPKWJBEWURQJG-UHFFFAOYSA-N	239.080	-0.368	50	10	BBGE	
CN1CC[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247878912	QEEQEHKIXWPFTB-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
CC(C)(C)[C@H](CCO)NC(=O)[C@@H]1C[C@H]1B(O)O	2247895225	QCFZSPHPBZKNRC-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@]12C[C@@H](CO)C2	2247898247	BPISZIMNJIODAG-TURQNECASA-N	239.080	-0.777	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247900687	YWOXCLBWZJBMSI-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
N[C@H]1CCCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247903169	IWUPZCPVKMZAEB-HORUIINNSA-N	240.112	-0.375	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(B(O)O)cc1O	2247965311	JZNAECLWEMDAOO-UHFFFAOYSA-N	239.036	-0.688	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2248480007	WVOWUJSYQDMVAH-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
CC=CC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248576997	HXFGWKPTLFHWJT-PRJMDXOYSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H](C(=O)O)C1CN(C(=O)C2(B(O)O)CC2)C1	2248584676	ADJZMCBBGSBZGW-ZCFIWIBFSA-N	241.052	-0.828	50	10	BBGE	
CC1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)(C(=O)O)C1	2248593469	NJIVTPUAIZVOOJ-ZBFMHRLGSA-N	241.052	-0.781	50	10	BBGE	
C=CCN(C)C(=O)c1ncc(B(O)O)cc1C	2248969167	YQRBWDLRNKMXIG-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
OB(O)c1cccc(CO[C@H]2C=CCOC2)c1	2249219641	KVOHRQDGUGSJPZ-LBPRGKRZSA-N	234.060	-0.162	50	10	BBGE	
CCC(CC)ONC(=O)c1coc(B(O)O)c1	2250171798	XOKYCZHOMSNTIV-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
CN(C[C@@]12C[C@@H](CO1)C2(C)C)C(=O)C(=O)NN	2251097078	SJQJGHDUIGFJDI-WRWORJQWSA-N	241.291	-0.750	50	10	BBGE	
OB(O)c1ccc(OC[C@]23C[C@H](CO2)C3)nc1	2251236390	MMVIDOPSVPARCE-DKTWLAJQSA-N	235.048	-0.681	50	10	BBGE	
COc1ccc(B(O)O)c(-n2cc(C)nc2C)n1	2254595333	CMNRYBCMMIQRBT-UHFFFAOYSA-N	247.063	-0.427	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cncnc1	2255449463	NMNBFQCVKLOWKL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccncc1B(O)O	2255449554	ORDKIMKYPNYTHM-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
CC12CC(CN1C(=O)c1ccncc1B(O)O)C2	2255455531	AONISLMOZKXFSC-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1ccc(B(O)O)o1	2255469908	WDVMMBNGZXKLTO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@H]2CCCCCC[C@@H]21	2255470058	XUOLXZVLVCWQIU-UWVGGRQHSA-N	249.075	-0.290	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)cn2)C[C@H]1C	2255517358	CCGWKOVMBCXHIX-FYBVGQRMSA-N	248.091	-0.464	50	10	BBGE	
CC12CC(C1)N(C(=O)c1cncc(B(O)O)c1)C2	2255517740	FLHIFXWLTFEYGE-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(NC1(C2CCC2)CC1)c1n[nH]cc1B(O)O	2255550103	ZYOSDCANWWVZHN-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC[C@H](C2)C1	2255670728	ZZCZJXMIBPVVNU-DTORHVGOSA-N	248.091	-0.433	50	10	BBGE	
O=C(NCCC1CCC1)c1ncccc1B(O)O	2255691312	LXOGDFKULYPAGK-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@H]1C1CC1	2255734559	CMMMTTREKYAOTE-JTQLQIEISA-N	248.091	-0.671	50	10	BBGE	
Cc1ccc(O)c(C(=O)NCCC#CB(O)O)c1	2258959805	WYBWEGDZIYUVBH-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
CN(Cc1ccnnc1)c1ccncc1B(O)O	2261287180	FJOWWLAUDKJCRM-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1C[C@@H]1F)C(=O)NN	2297173198	YQZVSAQLBLZZOG-FXQIFTODSA-N	203.261	-0.098	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298368842	ADRIWVBKZMGSAV-JLIMGVALSA-N	238.096	-0.894	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@H]1C[C@@H]1B(O)O	2298369905	IQPZZXRFDYHZON-BQHMLIOBSA-N	238.096	-0.813	50	10	BBGE	
N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C12CCC2	2298370159	QBTXAHJTWSZUHR-LURQLKTLSA-N	238.096	-0.765	50	10	BBGE	
CC[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376705	JYGOGPAPLMLLML-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2301841193	UACGUJMWTQBRTJ-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1[C@H](n2cc(B(O)O)cnc2=O)CC1(C)C	2302158862	KAGXNWNTOMEVDC-IONNQARKSA-N	236.080	-0.470	50	10	BBGE	
CCCN(CCC)NC(=O)N[C@@H](CO)C(=O)O	2302456490	WBEJOTURNASDAZ-QMMMGPOBSA-N	247.295	-0.232	50	10	BBGE	
CN1CCC[C@@H](CN2CC[C@H](B(O)O)C2)C1=O	2303107099	WKWDCMKCJIFURJ-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](CNC(=O)C#CB(O)O)(C2)O1	2303266528	VDTFBPZOGNMEEN-KKZNHRDASA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cc2C#N)CO1	2317151078	MVANNTLMCDZEOM-KCJUWKMLSA-N	246.075	-0.173	50	10	BBGE	
O=Cc1ccc(N[C@H](CO)C2CC2)cc1B(O)O	2317349420	CCZQLPNFXZFVAG-GFCCVEGCSA-N	249.075	-0.638	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)NNC(N)=S	47098276	XBCHTASZRVCHKI-RFZPGFLSSA-N	202.283	-0.310	50	10	BBGE	
C[C@H](CC(=O)NN)SCCS(C)(=O)=O	82514829	PBDDOKJHPUCHGJ-ZCFIWIBFSA-N	240.350	-0.467	50	10	BBGE	
O=C1CC[C@@H](NC(=O)NC(=O)CCl)CN1	82516166	VCQMFKQERUTZMM-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCCN1C	86190414	DTGOQOXVVKRDRH-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)n1nnc(-c2ccccc2)n1	105935424	AMJADBPLGXIPIN-ZETCQYMHSA-N	232.247	-0.109	50	10	BBGE	
CC[C@@H](SC)C(=O)NNC(=O)c1c[nH]nn1	121817649	QMBFBBSHNUGJKQ-ZCFIWIBFSA-N	243.292	-0.293	50	10	BBGE	
CN(C)NC(=O)C[C@H]1CSCCN1	147298794	VHTWTTHTZYMUEO-ZETCQYMHSA-N	203.311	-0.326	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)O)N(C(=O)NN(C)C)C1	149131996	CSLHUZGAEVEUKQ-BQBZGAKWSA-N	231.252	-0.654	50	10	BBGE	
O=C(O)CNC(=O)CNC(=O)CCCCl	205748251	KFVBMJMKUHBVFK-UHFFFAOYSA-N	236.655	-0.678	50	10	BBGE	
COC(=O)[C@@H](N=[N+]=[N-])/C(C)=N/NC(N)=O	211339514	RLSURDBFBRLMDL-IMMCFVPVSA-N	214.185	-0.118	50	10	BBGE	
CC(=O)N[C@@H](CC(=O)OC(C)=O)C(C)=O	238108179	FMOMMVSZZBJSFB-QMMMGPOBSA-N	215.205	-0.440	50	10	BBGE	
COC[C@H](S[C@H]1CCO[C@H]1C)C(=O)NN	300340795	YLAUMXWROMRHNZ-FXQIFTODSA-N	234.321	-0.098	50	10	BBGE	
C[C@H]1COCC[C@H]1N1CC(=O)OC(=O)C1	301023712	OKZZGBNPFBPRFW-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
C[C@H]1[C@H](NC(=O)CCl)CCS1(=O)=O	307760988	XSRRCXMPGMFPCW-NTSWFWBYSA-N	225.697	-0.083	50	10	BBGE	
CN(C)CCCNC(=S)NNC=O	379403172	OPQKSICOZUSKBE-UHFFFAOYSA-N	204.299	-0.937	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CN2CCC1CC2	379750248	KBMNSCNIDWSMAK-GXSJLCMTSA-N	240.351	-0.219	50	10	BBGE	
NC(=O)N1CC[C@H](NC(=O)NC(=O)CCl)C1	393248021	VMRCEXLOUXMJCY-YFKPBYRVSA-N	248.670	-0.796	50	10	BBGE	
NNC(=O)c1coc(CN2CCS2(=O)=O)c1	395578993	XOZGGLSVEBJTCD-UHFFFAOYSA-N	245.260	-0.972	50	10	BBGE	
N#CCCc1c(CO)cccc1B(O)O	396041809	PTBLHSBVQBWNGG-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
N#CCCc1cccc(C#N)c1B(O)O	396117206	YMZULMRHWPACNM-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
O=Cc1c(CO)sc2cc(B(O)O)ccc12	396332530	GJVOXCARWDPSTF-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCCC(N)=O	399183443	UNGUSXCNGJMFJK-LURJTMIESA-N	219.310	-0.246	50	10	BBGE	
CCc1cc(B(O)O)ccc1NS(C)(=O)=O	404934378	YOLASPBZQGBHJC-UHFFFAOYSA-N	243.093	-0.700	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CCC[C@@H]21	584948575	IGUWTRVNLFEALT-PWSUYJOCSA-N	245.087	-0.009	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1CCCC(=O)NN	688755470	OLOQBOZYMCFHQW-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C=CC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	692114210	PDFBMGIKXFVCAO-SECBINFHSA-N	223.276	-0.233	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@]1(C)CO	694660984	KBAVXSVFQUJWKB-SKDRFNHKSA-N	243.351	-0.047	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](CC(C)C)C(=O)NN	695101822	CSJJECOHNMISTI-JTQLQIEISA-N	244.339	-0.541	50	10	BBGE	
CN1CC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1=O	703435382	AGIATQFZWLLUFM-FXQIFTODSA-N	238.243	-0.867	50	10	BBGE	
COC[C@H](OCC(C)(F)F)C(=O)NN	703581993	KVWOKXQPWJWNBH-YFKPBYRVSA-N	212.196	-0.337	50	10	BBGE	
CN(C)C(=O)N1Cc2ccc(B(O)O)cc2C1	708005276	VDZCVKZXFCKKBO-UHFFFAOYSA-N	234.064	-0.636	50	10	BBGE	
ClC[C@@H]1CN(CCn2cnnn2)CCO1	712590666	DPMFBVMJVBGYLO-MRVPVSSYSA-N	231.687	-0.387	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1(CO)COC1	717598484	UDZFIVLICRPEDD-LURJTMIESA-N	207.657	-0.261	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287145	RVYHZOFACAGMTK-XHNCKOQMSA-N	213.281	-0.526	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)[C@H]1CCCO1	846218604	STRNSHPVEGSFTB-HTQZYQBOSA-N	225.248	-0.137	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C12CCN(CC1)C2	911444251	CNQZGBUMKGFHOS-SECBINFHSA-N	227.308	-0.574	50	10	BBGE	
CC(=O)NN=C(C)CN1C(=O)CCC1=O	1084159318	QAZYXSBKIIMBEG-UHFFFAOYSA-N	211.221	-0.353	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)C2CCC2)C1	1293324255	BLRWXPYIIPTCDG-UHFFFAOYSA-N	210.233	-0.087	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@@H](C)NC(N)=O	1327599370	DIUHUDZKKIPINC-ZCFIWIBFSA-N	230.268	-0.763	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNC(=O)c2ncon2)CO1	1536938183	STIAALQCJANWOU-NTSWFWBYSA-N	240.219	-0.744	50	10	BBGE	
CNC(=O)NNC(=O)[C@@](C)(O)c1ccccc1	1626582732	MQQLQGCWFKNTSQ-NSHDSACASA-N	237.259	-0.146	50	10	BBGE	
O=C(C[C@H]1COC(=O)C1)NNC(=O)C1CC1	1628293715	GDWDWIKUSBTNKJ-ZCFIWIBFSA-N	226.232	-0.503	50	10	BBGE	
CC/C=C\CNC(=O)NNC(=O)C(=O)OC	1635565613	BIQCBDOEXOHELX-PLNGDYQASA-N	229.236	-0.544	50	10	BBGE	
O=C(CO)NNC(=O)Cc1cnn2ccccc12	1654451030	OGUXSRFXGCQGJO-UHFFFAOYSA-N	248.242	-0.984	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSC1CNC1	1882111284	WDVXFROSWHLORF-IYSWYEEDSA-N	201.295	-0.683	50	10	BBGE	
CSSCCNC(=O)[C@@H](CN)CO	1882801910	LGOOBQUKRHDWGO-LURJTMIESA-N	224.351	-0.319	50	10	BBGE	
NC(=O)C[C@@H](N)C(=O)NC1CC(Cl)C1	1884412093	LZGBAYQPRVHTEY-JMMWHDCWSA-N	219.672	-0.925	50	10	BBGE	
C#C[C@@H](CCl)NC[C@H]1CCS(=O)(=O)N1	1884830403	DBVWNAOMMNMBRG-JGVFFNPUSA-N	236.724	-0.492	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@@H]1CC[C@H]1N	1887479005	OPUZGBFBHJSFAU-FSDSQADBSA-N	203.311	-0.022	50	10	BBGE	
CC(C)S(=O)(=O)N(C)[C@H](C)CC(=O)NN	1893854907	UMOFOQHOWUDWKF-SSDOTTSWSA-N	237.325	-0.575	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CC[C@@H]2C[C@@H]21	1894687814	LDBDLGSCENXDIU-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CCO[C@@H]2C1	1895093311	KXCRDKUCCKILBZ-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1n1cc(B(O)O)cnc1=O	1901181870	UQDFDOJFMNKOQS-QMSLJYSESA-N	222.053	-0.860	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1O[C@H]2CC[C@H]1C2	1905139935	WCYLPYJVBLNWBT-XKNYDFJKSA-N	227.308	-0.136	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H]1C[C@H]2CO)C(=O)NN	1907249414	CGXCGOBZTMORPD-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1C[C@H]1F	1907460085	UPAHNLDMTXIDMD-NXEZZACHSA-N	237.039	-0.659	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914868479	DYMCEKVFTDLQPM-UWVGGRQHSA-N	239.323	-0.715	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC1(CO)CC1	1915531157	JCHOPAMJOKONEI-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
O=C(NNC(=O)[C@@]12COC[C@@H]1C2)C(F)(F)F	1923406733	OJBFGFXHSZCTEY-FFWSUHOLSA-N	238.165	-0.267	50	10	BBGE	
CC1(O)CC(C(=O)NNC(=O)C(F)(F)F)C1	1923425242	XJGSFJFSRUDVPK-UHFFFAOYSA-N	240.181	-0.143	50	10	BBGE	
C[C@](O)(C(Cl)Cl)[C@@H](N)C(=O)O	1923726435	FIGDZQNDNMRURG-JLAZNSOCSA-N	202.037	-0.047	50	10	BBGE	
C[C@@H]1CCC(=O)N1CCOCC(=O)NN	1928181870	SKYBVMKBPBOULB-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2ncnn2C)C1	1928754720	DTECMTOYKFTROW-YUMQZZPRSA-N	229.715	-0.174	50	10	BBGE	
C[C@@H](N)CSCCOCC(=O)NN	1931384416	CRZLWFOMPUCXAH-ZCFIWIBFSA-N	207.299	-0.927	50	10	BBGE	
O=S(=O)(CCl)NCc1ncno1	1932169080	LRYGYNVTZPHZFA-UHFFFAOYSA-N	211.630	-0.315	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936095444	XDPOTCWQCNTJQN-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1937055036	UPCRDIJGRMTTJW-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
O=C(CCn1cncn1)N[C@H]1COC[C@@H]1Cl	1937146863	QQTUAVNTPAOCGP-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CN(CC1CCOCC1)C[C@@H]1C[C@@H]1C(=O)NN	1941089803	XFOIGUDYMWOHQK-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941092111	GIQOMCUYNBLRTE-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1[C@@H]1CCOC1	1941373145	ODHJDWNJPAOXKL-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
CC1(C)CN(CC(C)(C)C(=O)NN)CC(=O)N1	1945294332	UKMSTJYSKMJKHK-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC2(CCO2)CC1	1950983479	CQMVYKXGGAJOOI-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
COc1cc([C@H](N)[C@@H](O)C#N)cc(O)n1	1953031504	OYQBQBRGCNUMQL-RCOVLWMOSA-N	209.205	-0.320	50	10	BBGE	
CN(CC(N)=O)C[C@H](O)CBr	1953288068	UWLFXQMTMDYGSC-RXMQYKEDSA-N	225.086	-0.841	50	10	BBGE	
CSC[C@H]1C[C@H](NC(=O)C(=O)NN)C1	1956800165	CJCPNAQHGRUVPK-IZLXSQMJSA-N	217.294	-0.766	50	10	BBGE	
Cc1ccn(CC(=O)NN)c(=O)c1C#N	1958391581	ZLWMITRHVGKVAI-UHFFFAOYSA-N	206.205	-0.982	50	10	BBGE	
C[C@H](N=[S@@](C)(=O)N(C)C)[C@@H](C)C(=O)NN	1960616211	CUGWKEHZDIHTFG-FYHVHOSDSA-N	236.341	-0.425	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CC1(C)C	1961519307	IZKOAIMVBXSMJU-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CCC1	1961690881	LJPADUICJBHXNU-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
O=C(NNCCO)[C@H]1CCc2nccn2C1	1976546754	MMEZDAXJQQKMSM-QMMMGPOBSA-N	224.264	-0.941	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@H]1NC(=O)C(=O)NN	1977515102	OJKDTZZDLFKPAU-BWZBUEFSSA-N	229.280	-0.704	50	10	BBGE	
Cl[C@H]1COC[C@H]1CCNCCn1cnnn1	1979873814	BEBUXUYMBSUORV-BDAKNGLRSA-N	245.714	-0.093	50	10	BBGE	
CCS(=O)(=O)C[C@H](C)N1CC(=O)OC(=O)C1	1980851285	VNSIQLIWEPVUOF-ZETCQYMHSA-N	249.288	-0.805	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)NC(=O)[C@H]2C1	1981051743	JYLUIQLAVBEESB-NKWVEPMBSA-N	242.666	-0.647	50	10	BBGE	
Cc1cc(C)n(C2CN(CC(=O)NN)C2)n1	1981078053	WXXYMDIHZRSMJL-UHFFFAOYSA-N	223.280	-0.653	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C[C@H](O)CO)CC1	1983999481	XOSFUGABOYKEBJ-UWVGGRQHSA-N	247.726	-0.912	50	10	BBGE	
CCN(CCF)c1nccc(C)c1B(O)O	1986593008	YKODYZYHWJTAQU-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC(O)C[C@H]2C1	1986732888	WJBXEHRISJSSKF-OYNCUSHFSA-N	227.308	-0.542	50	10	BBGE	
O=C(O)C[C@@H]1C(=O)NCCN1C[C@H]1C[C@H]1Cl	1991431051	BDFCGEMWHXKCRE-BWZBUEFSSA-N	246.694	-0.111	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1NC(=O)C=CC(=O)Cl	1991655479	WSGXSPUZPQXNQC-SVGQVSJJSA-N	246.650	-0.933	50	10	BBGE	
N=C(NO)[C@@H]1CN(C(=O)[C@H]2C[C@H]2Cl)CCO1	1991684488	DPRCXRICHFYQFK-XVMARJQXSA-N	247.682	-0.203	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOC[C@@H]1CCO	1991706273	NXADXELCPUSERG-CMLYIYFCSA-N	247.678	-0.082	50	10	BBGE	
O=C(CC(F)F)Nc1ccnc(B(O)O)c1	1992783623	YYPIGTGYQUFQRA-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)CCOCC(=O)NN)C1	2001533734	BHIDAGCCBIMGCM-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CC(C)OC[C@H]1CCCN(C(=O)C(=O)NN)C1	2003792842	NZIHBLWYTJSOLE-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]([C@H]2CCCO2)C1	2004392648	FCPSOVUQUOENMV-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1c1ccnn1C	2004397882	AZKPRCDLFPGYBN-WCBMZHEXSA-N	237.307	-0.065	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C)[C@@H]2C)c1B(O)O	2004971977	YUXWKNFQLBYEHA-CBAPKCEASA-N	235.096	-0.300	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC[C@H]1F	2006794465	NBNKWEHZWMODSL-BDAKNGLRSA-N	239.059	-0.517	50	10	BBGE	
CN1CCC12CC(CN1CC(=O)OC(=O)C1)C2	2008433603	ZJBYNPLYCTVJRG-UHFFFAOYSA-N	238.287	-0.144	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008976175	ZSHLCBVITMVDHV-MMWGEVLESA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)CCCCCOCCn1cncn1	2012465081	GGQLQTLSZMINGG-UHFFFAOYSA-N	241.295	-0.155	50	10	BBGE	
OB(O)c1cccnc1OCCn1cccn1	2012465854	SSFABBVQCWOLGV-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1ccc(F)cc1B(O)O	2014605221	OTPPVHQHIAPSBP-RDDDGLTNSA-N	240.039	-0.081	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCC(=O)N(C)C	2014826369	VUBAPBSRGXEKKL-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
NNC(=O)CN1Cc2cccc([N+](=O)[O-])c2C1	2016890043	FGVLPQNIIJAAQR-UHFFFAOYSA-N	236.231	-0.100	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)[C@@H](O)C(C)(C)C	2017673946	JFTZSXHHVOGYRH-RNFRBKRXSA-N	247.295	-0.378	50	10	BBGE	
C[C@@]12CCCC[C@@H]1CN2c1ncncc1B(O)O	2052473522	WJECOKPMYJWLKR-BXKDBHETSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnccc1N1CCN2CCC1CC2	2052494559	NQBRRCGGPVJYJO-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
COC[C@@]1(C)CCN1Cc1ccc(B(O)O)cc1	2055901298	BWLATLKHAJPGEQ-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
COc1ccc(F)c([N+](=O)[O-])c1B(O)O	2060091894	LNPPPJVNHRIABR-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCc1cc(OC)c(B(O)O)cc1C#N	2060265475	NJLHFFQVUPNYMA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	2079519612	PHSOAKYPXRWGLG-NXEZZACHSA-N	248.091	-0.008	50	10	BBGE	
CCOCCN(C)Cc1nscc1B(O)O	2211138677	YEQFLHNQONVQCH-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CO[C@@H](C)CNc1cc(B(O)O)c(C)cn1	2212605572	HGDQOIBRUOTHHB-QMMMGPOBSA-N	224.069	-0.483	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2[C@@H](CO)[C@@H]2C1	2215773460	SQJXCSYOQXQTPV-LADJIXMOSA-N	239.319	-0.827	50	10	BBGE	
C[C@@]1(O)CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217181915	WZRNLOZEAJMULY-MWLCHTKSSA-N	236.080	-0.523	50	10	BBGE	
N[C@H]1CC[C@H](Nc2nccc(B(O)O)c2F)C1	2217182115	ZIEQKHJVQKUXLJ-BQBZGAKWSA-N	239.059	-0.808	50	10	BBGE	
NC[C@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223625059	CGVYNCURBWHCFM-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCNC2)cc1B(O)O	2223640753	MZKMSSBOFOINPT-SNVBAGLBSA-N	249.123	-0.519	50	10	BBGE	
Cc1cnc(NCc2cnc(O)[nH]2)cc1B(O)O	2223641264	RXVPZPYMFRCSKK-UHFFFAOYSA-N	248.051	-0.889	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CNC[C@@H]32)cc1B(O)O	2223642029	FJHNBXKPYOFJSC-ATZCPNFKSA-N	247.107	-0.910	50	10	BBGE	
Cc1c[nH]c(=NCC#CC(C)(C)C)cc1B(O)O	2223651847	ZFOVDDYFZJUPFA-UHFFFAOYSA-N	246.119	-0.047	50	10	BBGE	
COC1CC2(C1)C[C@H]2Nc1ccc(B(O)O)cn1	2223677386	NLPNGMDWVNKQJA-SQLBVSGCSA-N	248.091	-0.259	50	10	BBGE	
C=CCONS(=O)(=O)N1CC(Cl)C1	2241353950	OYADKNRUYNPXBH-UHFFFAOYSA-N	226.685	-0.139	50	10	BBGE	
CON(C(=O)C1(B(O)O)CC1)C(C)C	2241473548	MIZNMSCZNHCGSU-UHFFFAOYSA-N	201.031	-0.208	50	10	BBGE	
COC1(COCCOCC(=O)NN)CCC1	2243183633	HZOXLFXXNFIVMK-UHFFFAOYSA-N	232.280	-0.421	50	10	BBGE	
CC(=O)NC(=O)c1c(Cl)cccc1B(O)O	2243358271	DXUJYMFMUYEBDH-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
Cc1nc(C(=O)NC(C)(C)C)c(B(O)O)s1	2243358552	HYOJWLFZNQYLAD-UHFFFAOYSA-N	242.109	-0.340	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cs1)C(F)F	2243378635	WWAPSBCNMBGHHS-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(B(O)O)cs1	2243385234	FLENEVWOBWPUOA-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
C=CCCN(C)C(=O)c1ncsc1B(O)O	2243408902	XGLSPHYDXYAHNW-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243420301	QBOVMQZIFZZILP-QXFUBDJGSA-N	226.085	-0.953	50	10	BBGE	
CCCOCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243427446	VOXGRZNFXSOCSR-DTWKUNHWSA-N	229.085	-0.218	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244205684	MFJBYLRPNPSKEA-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2CC1C2	2244217831	SPILDGVTIUSOJL-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCn2cncc2C1	2244396084	DUZAZQRPMUIEIP-MRVPVSSYSA-N	223.280	-0.533	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCCCS1	2244547257	XSBXKFQWVIAWPT-SECBINFHSA-N	241.121	-0.206	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccnc1O	2244988181	JTMOYCDMCSMDGO-SSDOTTSWSA-N	224.264	-0.403	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H](CF)C1	2247734664	VGZZXVXLVLMVQS-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]2C[C@H]21	2247735486	ZESZZUKPVPFAEW-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
C[C@@]1(NC(=O)c2ccc(B(O)O)o2)C=CCC1	2247740665	NRDSWBKZLPYGKF-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
CC[C@H](CNC(=O)c1ccoc1B(O)O)OC	2247744232	PNKVXYSRBZRZRF-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C/C=C/CNC(=O)c1cc(C)cc(B(O)O)c1	2247760172	CYBINHSUPSYZQP-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1C	2247760399	HMSSYLFPXALGSR-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
NCCCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787873	VXUNKIJTDOSAGR-AOOOYVTPSA-N	240.112	-0.563	50	10	BBGE	
CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247790043	FFFQXHRWUJSLST-UTLUCORTSA-N	240.112	-0.694	50	10	BBGE	
CC(C)N(C)C[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247799420	CXECHFUHGUJVLJ-LPEHRKFASA-N	242.128	-0.306	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247806529	FUKGTHFPZHVLGY-IVZWLZJFSA-N	241.096	-0.267	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]1C(F)(F)F	2247849152	WDAFDPAJLGSZDS-NKWVEPMBSA-N	248.997	-0.294	50	10	BBGE	
C=CC1(NC(=O)c2ncccc2B(O)O)CC1	2247865993	DUANWGCIZFDVHV-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
N#CCCNC(=O)c1ccc(B(O)O)cc1F	2247867656	JZVLIMOHLRPOPJ-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
C#CC1(CNC(=O)c2ccc(B(O)O)o2)CC1	2247869079	LRACOCBORYIXBX-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
C#CC1(CNC(=O)c2ccsc2B(O)O)CC1	2247872238	PDKCNGWKSVOJCT-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247878257	IRSNJBXLMMBAHK-SECBINFHSA-N	241.096	-0.173	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CCC1	2247894690	JSLTZDYTDCKYSW-GUBZILKMSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]2C1	2247896071	DRTDPBJPVAUHCY-WYCDGMCDSA-N	239.080	-0.921	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247896125	XGXQTXLJICHNTH-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1B(O)O	2247897430	SFSCQFUNZBJMDV-VHSXEESVSA-N	234.064	-0.097	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCNCCC12CC2	2247898543	FKKLIJLJUOMCDN-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](O)[C@@H](F)C1	2247904096	OUJDQQWAMKUCBA-PEBLOWIWSA-N	245.059	-0.829	50	10	BBGE	
COc1n[nH]cc1CNC(=O)C1(B(O)O)CC1	2248392577	CNMKIIYUVANWIA-UHFFFAOYSA-N	239.040	-0.959	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CC=CCO1	2248419671	FNKZEZGVQYDMCS-ZJUUUORDSA-N	237.064	-0.452	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2249430070	YQPBGCLPRTZTAO-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C2	2249621929	QNVQMRZVBFTNHW-VPWVSVFPSA-N	239.080	-0.467	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2255452173	FABCFPUYZCCHIV-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccncc1B(O)O)C2	2255457496	FDCKRCBCRJQLDT-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
Cc1cccc(C(=O)N2CC(C#N)C2)c1B(O)O	2255511892	QQDOXNULQQIMRA-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
Cc1ccnc(C(=O)Nc2ncc[nH]2)c1B(O)O	2255582289	UWMWYCOETZPSGQ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](n2cccn2)C1	2255677501	AESSVLRMHXMEIN-JTQLQIEISA-N	247.063	-0.938	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1F	2255720586	ORSKYRZXMQGELR-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
NC[C@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2259947432	GNHRMQWAGCHIDE-AAEUAGOBSA-N	246.119	-0.853	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298376209	NFRJFOBNNXPYDN-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@H]1B(O)O)[C@@H]1CCOC1	2298377172	HABADNOZASKRBA-KXUCPTDWSA-N	237.064	-0.900	50	10	BBGE	
O=C(O)C[C@@H]1C[C@H]1CNC(=O)C1(B(O)O)CC1	2299283921	UOECQIJYBQKOKL-BQBZGAKWSA-N	241.052	-0.780	50	10	BBGE	
C#C[C@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301421797	ZUTJLTIAUYBTAK-VIFPVBQESA-N	231.060	-0.140	50	10	BBGE	
C[C@@H](CO)CNc1ccc(C=O)c(B(O)O)c1	2301423598	UUOQBYBKZLIIAA-MRVPVSSYSA-N	237.064	-0.781	50	10	BBGE	
COC[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303835283	UKBHFCWXEKWKAI-ZETCQYMHSA-N	242.059	-0.983	50	10	BBGE	
C#CCN(CC=C)c1cc(B(O)O)c(F)cn1	2303835362	VSSDYTPELLSBDO-UHFFFAOYSA-N	234.039	-0.474	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CC[C@@H](O)C2)ncc1F	2303836355	LIRYMWUEKZBGBF-RNFRBKRXSA-N	240.043	-0.774	50	10	BBGE	
CCN(C[C@H](C)O)c1cc(B(O)O)c(F)cn1	2303847620	LQADIMXYHMUMLP-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
COC[C@]1(CO)C=CCN1[C@@H](C)CC(=O)NN	2306857413	VTODNZMJHSBHRF-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)C1CCOCC1	2307963166	VNFJIHYFQXNJEG-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1ncccc1B(O)O	2312612267	LSWLZDQMWVTSTB-OINDSLJFSA-N	247.107	-0.701	50	10	BBGE	
NCC(=O)NNC(=O)CCc1ccco1	49814879	LJQHMSNHTOGIQE-UHFFFAOYSA-N	211.221	-0.682	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	70797354	GOZWSSXOAGRPBI-RRKCRQDMSA-N	234.683	-0.692	50	10	BBGE	
CN(CCC(=O)NN)Cc1nccn1C	82469268	ZXEKZHLGLKGNPQ-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
C[C@H](CN1CCCC[C@@H]1CO)C(=O)NN	82470395	LPVGQFUUJYSWNZ-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
O=C1CC[C@H](NC(=O)NC(=O)CCCl)CN1	82516161	XVVHADGTDXDGQX-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
COc1cc(CN2CC(=O)OC(=O)C2)ccn1	104263279	QYMXKNGMIUTUSY-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
CSCC[C@@H](C)N(C)C(=O)C(=O)NN	157097133	CUPOPWXBSQBHBE-ZCFIWIBFSA-N	219.310	-0.424	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)[C@@H]1CCOC1	161690324	PGYZITQZZIQOKG-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)c1cnn(C)c1	182226747	KQNMOSCPWPQIDP-QMMMGPOBSA-N	239.279	-0.692	50	10	BBGE	
CC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1	202452271	JIBYPLKYQZNOGY-UHFFFAOYSA-N	208.966	-0.523	50	10	BBGE	
COCCOc1cc(F)cc(B(O)O)c1	211810416	GVKWPUOKESBXCW-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
O=C1CSc2cc(B(O)O)ccc2N1	228937996	PJRMSKWZWDXWEN-UHFFFAOYSA-N	209.035	-0.589	50	10	BBGE	
CC(=O)NNC(=S)NC(=O)CCl	238104115	BSFJFIMPZZJPCG-UHFFFAOYSA-N	209.658	-0.733	50	10	BBGE	
O=C1C[C@H]2O[C@H]1[C@H](Br)[C@@H]2O	306327694	NCKMEAMUSJYNMT-KVTDHHQDSA-N	207.023	-0.149	50	10	BBGE	
CC(C)OCOc1cncc(B(O)O)c1	308845388	ZZOCYOQVLRKIRB-UHFFFAOYSA-N	211.026	-0.477	50	10	BBGE	
O[B-]1(O)c2ccccc2C[N+]12CCCC2	380001348	KBEWCBOKNQFAKW-UHFFFAOYSA-N	205.066	-0.059	50	10	BBGE	
O=C(O)CC(=O)NN=c1[nH]nc(C2CC2)s1	381142837	MZJNPSTTZSJXHG-UHFFFAOYSA-N	242.260	-0.245	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CCCCCC(=O)NN	385012641	QDBYNQYCVCYZEG-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)CCc1ccc(C)cc1B(O)O	396159351	ZEPZZXUTBICWIR-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
N#Cc1c(B(O)O)sc2cc(CO)ccc12	396219921	KXFTZTVKCLOMDY-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)[C@H](C)CO1	404006392	BYHGHEUWKDIGDN-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cc1ncoc1C(=O)Nc1cccc(B(O)O)c1	405014946	STVNBFRRHHPGAN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H](NC(=O)N(C)C)c1cccc(B(O)O)c1	405135912	JMCULACYQYPDEK-MRVPVSSYSA-N	236.080	-0.301	50	10	BBGE	
NC(=S)NNC(=O)c1cncc(Cl)n1	606288093	JHECXFATOGAIJS-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
CO[C@H]1CN(C(=O)CBr)C[C@H]1O	686248259	KRHYSRZLZPOHBU-RITPCOANSA-N	238.081	-0.401	50	10	BBGE	
COCC[C@@H](C)n1nc(C)c(B(O)O)c1C	694306659	CVYMPSYXGCUGKE-SSDOTTSWSA-N	226.085	-0.223	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCNC(=O)C[C@H]1C	707347417	QUDZOCXMEXRFNO-HRDYMLBCSA-N	242.323	-0.789	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COCC[C@H]2Cl)nn1	710870743	RHBNMJBVALERLY-HTRCEHHLSA-N	244.682	-0.059	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCS[C@@H](CO)C1	720077190	YAOWZGJQCTZZNA-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	843893359	MNJGJBAYAVUQPN-VXNVDRBHSA-N	240.259	-0.318	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccsc1=O	886005315	KNDZTFCYKYLAPJ-NTSWFWBYSA-N	213.262	-0.464	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccccn1	931981776	RTZGCNBUHCQILI-NXEZZACHSA-N	249.270	-0.194	50	10	BBGE	
COC(=O)NN=CC=NNC(=O)OC	1084573728	CBYJTGYXQYGXIJ-UHFFFAOYSA-N	202.170	-0.330	50	10	BBGE	
O=C1N[C@H](C(=O)NN=c2cc[nH]cc2)CO1	1138148310	OIYHVBBXQVTMLO-ZETCQYMHSA-N	222.204	-0.945	50	10	BBGE	
CN(CCO)C(=O)/C(C#N)=C\c1cnn(C)c1	1290708931	HSWAVIRETFCABG-YHYXMXQVSA-N	234.259	-0.222	50	10	BBGE	
CCCNC(=O)NNC(=O)/C=C/C(=O)N(C)C	1597914178	AJOWPFQVXCIUEY-AATRIKPKSA-N	242.279	-0.629	50	10	BBGE	
CN1CCCC[C@@H]1C(=O)NNc1nc[nH]n1	1611411537	MSAYQUDHBUPOCD-SSDOTTSWSA-N	224.268	-0.268	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1	1638573622	DOKNUYBUBYRNNI-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NN	1879945543	QOPNLQQXVBDDSJ-PHDIDXHHSA-N	215.253	-0.111	50	10	BBGE	
COC[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883634960	QJKSMRKLHLZHAN-LYFYHCNISA-N	207.657	-0.263	50	10	BBGE	
Cn1nncc1CCNS(=O)(=O)CCl	1885382764	KULHIQRIGSTKNF-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
C=C(Cl)CONC(=O)C1(B(O)O)CC1	1886306819	XHTXFMIFCOFOIY-UHFFFAOYSA-N	219.433	-0.206	50	10	BBGE	
O=S(=O)(C(F)F)N1CC[C@H](B(O)O)C1	1891517524	PLEYUKZOMZZNMH-BYPYZUCNSA-N	229.013	-0.913	50	10	BBGE	
CCc1conc1C(=O)NNC(N)=S	1892391653	RYAQMTKIIZGUNJ-UHFFFAOYSA-N	214.250	-0.285	50	10	BBGE	
O=S(=O)(CC1CNC1)NC[C@H]1C[C@H]1Cl	1893127734	JWVGNFFQPWZRHE-HTQZYQBOSA-N	238.740	-0.248	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)[C@@H]1C[C@H]1B(O)O	1893674782	LBIBEORNRDVRER-XZBKPIIZSA-N	201.006	-0.534	50	10	BBGE	
C[C@H]1SCCC[C@@H]1NC(=O)C(=O)NN	1893762336	QUPVYSFZAZURFW-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
CN1CC[C@H](OC(F)(F)C(=O)NN)C1	1894991165	IPYQJQLERJQNJB-YFKPBYRVSA-N	209.196	-0.710	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@@](C)(O)C1	1901104459	FUYQNNOTJAIVRF-ZKWXMUAHSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC(C)(C)C(=O)NN	1914259038	ZGHXXEPALPZTBI-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@@H]1CCNC1=O	1916827241	XXTITPSUDZELTM-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
N#CC1=CCN(CC(=O)N2CCNCC2)CC1	1917082279	LUPPLXDKOVPHNU-UHFFFAOYSA-N	234.303	-0.426	50	10	BBGE	
COCC[S@@](C)(=O)=N[C@@H](C)C(=O)NN	1918071532	GFVJKGNAQYCKTO-DXRPGJJCSA-N	223.298	-0.891	50	10	BBGE	
Cc1nc(CN2CC(=O)OC(=O)C2)co1	1928780761	MECHCRCDTGVFLT-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
CC[C@]1(C(=O)NNC(N)=O)CCCO1	1929049661	IGWUUSZZNVKQSX-MRVPVSSYSA-N	201.226	-0.355	50	10	BBGE	
Cc1cc(C(=O)NNCCO)nc(Cl)n1	1929835213	OPWOCNKRMPNOAG-UHFFFAOYSA-N	230.655	-0.335	50	10	BBGE	
OCCOC1CN(C[C@@H](O)CCl)C1	1932098987	FFDIQRKAGBAIPW-ZETCQYMHSA-N	209.673	-0.721	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC[C@@H](F)C1	1932163840	HKJCXDLQRWIKFW-NKWVEPMBSA-N	217.244	-0.379	50	10	BBGE	
CC[C@@H](CN)S[C@H](COC)C(=O)NN	1934334785	ZZOZYXGISGSLNO-NKWVEPMBSA-N	221.326	-0.538	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCO)CC(F)F	1936095036	SSGFOKMIVDZDMJ-BQBZGAKWSA-N	237.250	-0.828	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)C(C)(C)C	1936513273	GPDATUMOWJOCEU-UHFFFAOYSA-N	225.292	-0.113	50	10	BBGE	
Cc1ccc(OCCOCC(=O)NN)cn1	1936536496	WJGTTWFNZVADKD-UHFFFAOYSA-N	225.248	-0.225	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@H]1O	1938246690	KPZXDQLUMAUEMF-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCC(=O)N(C)C	1940302014	DZTNMXXMMDOBRO-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
CN(CCOCC1CC1)C[C@@H]1C[C@H]1C(=O)NN	1941090198	YQQUXFDGFFNZLY-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCCN2C)CC1	1941642508	KPELQTBGAORSAC-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](O)C1CCN(CCOCC(=O)NN)CC1	1941772894	PCHGWYGGTAUFNT-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)CCC(C)(C)C(=O)NN	1946074381	DSWVBLXGOCSMRX-QMMMGPOBSA-N	244.339	-0.412	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951018169	JLBRRDKSIGTHGA-NAKRPEOUSA-N	241.335	-0.154	50	10	BBGE	
O=C(O)C(F)(F)c1ccc(B(O)O)cc1	1951329208	MKCIJCZJDIZRCF-UHFFFAOYSA-N	215.948	-0.457	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)N1CC(C#N)C1	1956212928	FWTXLLYQBFGLFT-ZCFIWIBFSA-N	237.712	-0.097	50	10	BBGE	
CN1CCCN(C[C@H](O)CCl)CC1=O	1956260489	LUSXIKPEBUELLP-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](C)CCC(=O)NN	1959517493	SHWWPJQTAKUAPI-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1CCOCCCl	1960158788	GBSIHLNLFPBLCS-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
CN(Cc1ncno1)C[C@@H]1C[C@@H]1C(=O)NN	1976745332	LEPRLQYZQXNNCA-BQBZGAKWSA-N	225.252	-0.873	50	10	BBGE	
COC[C@H](C)N(C)c1ccncc1B(O)O	1981425640	INXWKOGYTCFOAF-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
CO[C@H]1C[C@@H](CN(C)C(=O)NN)C[C@H]1OC	1982346058	KXHCVUXUZKUJQM-AYMMMOKOSA-N	231.296	-0.059	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@]1(C)CCOC1	1982703171	VOJAPJZOVUPWMU-SECBINFHSA-N	242.109	-0.562	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1982705816	WVRNJFOBOSWNNH-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](OC[C@@H]1OCCOC1(C)C)C(=O)NN	1987315825	QTRUUNJWDWWCSI-SFYZADRCSA-N	232.280	-0.425	50	10	BBGE	
C=C(CN1C[C@H](OC)CC(F)(F)C1)B(O)O	1992159767	OGGMOQYYIPPWJC-MRVPVSSYSA-N	235.039	-0.089	50	10	BBGE	
CC(C)(CN1CCO[C@@H](CCO)C1)C(=O)NN	2005060344	IZWAFAFQZPLVIQ-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CCCOCCCn1cc(B(O)O)ccc1=O	2008839908	DQDMDVFMWORLLJ-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	2013927015	AAHDSAADMLRSCN-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(CCOCC(=O)NN)C1	2016013294	JMHGBGXEJWEJLJ-IUCAKERBSA-N	249.286	-0.948	50	10	BBGE	
CCCOc1cnn(CC(=O)NNC(C)=O)c1	2019208743	HQRNRTFXYVTPCY-UHFFFAOYSA-N	240.263	-0.161	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]1(C)CCOC1	2019209052	HZPLHWWFWXINPU-LLVKDONJSA-N	243.307	-0.488	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC=C2B(O)O)O1	2020068639	UEBDBCOPYUCLFD-QNSHHTMESA-N	239.080	-0.229	50	10	BBGE	
C[C@H]1O[C@@]2(C(=O)NCC#CB(O)O)CC[C@H]1C2	2021897318	SEBFAPOASGCSQA-YWVKMMECSA-N	237.064	-0.924	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COn1nnc2ccccc21	2028044374	ODPBNCWHKBEOFP-HTQZYQBOSA-N	247.258	-0.514	50	10	BBGE	
CN1CCN(Cc2ccccc2B(O)O)[C@@H]2C[C@@H]21	2049379045	HFAMBKGRRGDEPN-QWHCGFSZSA-N	246.119	-0.745	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)[C@@H]2CC[C@H]21	2052472186	KFDICFKGHRYEFF-GHMZBOCLSA-N	247.107	-0.956	50	10	BBGE	
C=CC=CCCn1cnc2c(B(O)O)ncnc21	2055735528	DTYPTDDIOXMVDN-UHFFFAOYSA-N	244.063	-0.362	50	10	BBGE	
COc1c(C#N)ccc(B(O)O)c1Cl	2060099638	AMSHECUOGPZMSN-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1cc(F)c(B(O)O)c(OC)c1	2060113576	ONRWPSMQOIIZSG-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
OB(O)c1ccccc1COC[C@H]1[C@H]2COC[C@@H]12	2080346912	ONPHQHMCKWITKW-ZSBIGDGJSA-N	248.087	-0.225	50	10	BBGE	
COC1CC(CO[C@H](C)C(=O)NN)C1	2209994220	VDIPEHORILFNLE-JECWYVHBSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](CN1CC(OC(F)(F)F)C1)C(=O)NN	2211915499	QYPIGZOPHDLKFN-YFKPBYRVSA-N	241.213	-0.167	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212295045	ZNDUWXGEWUTIPS-RNLVFQAGSA-N	220.037	-0.666	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CC3)C2)c1F	2212603678	IMNFYXQVJWNOET-UHFFFAOYSA-N	222.028	-0.499	50	10	BBGE	
CC[C@@H](CNC)Oc1ccc(B(O)O)cn1	2212605825	KPXHBZGNEOCTLT-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC=CCC2)nc1	2212611557	BBLXKRDCFJBTDV-SECBINFHSA-N	219.053	-0.323	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2214598422	HCFHHQWKSFVJQP-GXSJLCMTSA-N	231.060	-0.655	50	10	BBGE	
CCCN(CC(N)=O)C[C@H]1CC[C@H]1C(=O)NN	2215770874	DZXXVTXLBCYPKP-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC(F)(F)C1	2215775991	JZRUVUOTBDUMOH-JGVFFNPUSA-N	249.261	-0.073	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCOCC12CC2	2215776589	NRIYVVBJXRPLHA-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)C(C)(C)CO	2217176212	SVJMLBOIUOUFSX-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217179864	CGPMXYQPLYGQJZ-HTQZYQBOSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(N2CC[C@H](O)[C@@H]2C)cc1B(O)O	2217182832	HHEIQMWQLPWPDD-WPRPVWTQSA-N	236.080	-0.971	50	10	BBGE	
NCC1(CCOc2ccc(B(O)O)cn2)CC1	2217189234	ZZUOCBTXVXUERG-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCNC23CC3)c1	2223668841	BYESZMQYWINZNF-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3OCC[C@@H]3C2)c1	2223671721	AMMIMWZPOAMNHR-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCCCN[C@@H]21	2223673161	DWNCNLUXLRUIGU-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCN1C	2223675435	WPXNIXPPEGHKRZ-KOLCDFICSA-N	249.123	-0.344	50	10	BBGE	
Cc1cccc(CN=c2ncc(B(O)O)c[nH]2)c1	2223680198	ZPIFTGGJKAZASE-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2	2242647217	DMJHGHZMYYKZCW-FOCFJMSLSA-N	223.276	-0.521	50	10	BBGE	
CN1C(=O)[C@H](F)C(=O)N(C[C@H](Cl)C#N)C1=O	2243050350	FEJLUZKWDVYTKK-UHNVWZDZSA-N	247.613	-0.124	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2CCC[C@@H]21	2243400424	ARIFSIPPCHTCBL-KXUCPTDWSA-N	221.065	-0.351	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1sccc1B(O)O	2243403832	DLJKCFDPYLQNRW-ZETCQYMHSA-N	237.089	-0.266	50	10	BBGE	
C[C@H]1CN(C(=O)c2sccc2B(O)O)[C@H]1C	2243404478	OWXCQQKJGPHZFN-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
O=C(N1CC=CC[C@@H]1CO)C1(B(O)O)CC1	2243408514	OQSWRELEQHLLJK-MRVPVSSYSA-N	225.053	-0.857	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1coc(B(O)O)c1	2243409784	OXBFFLOJYLQCIL-NKWVEPMBSA-N	223.037	-0.655	50	10	BBGE	
O=C(NCCC(F)F)c1cc(B(O)O)cs1	2243420400	RRVWWYLYUWQSJQ-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
CC(C)COCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427724	ZVBGWQSTOLPCHX-IUCAKERBSA-N	229.085	-0.362	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ncc(B(O)O)s1	2243667823	LFNHAPSASXWUPQ-LURJTMIESA-N	240.093	-0.026	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cocc1B(O)O	2244218202	XCQXDFNMRKXDSB-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)C#CB(O)O)C12CCC2	2247742108	KSOXAWQIFZWSMD-RKDXNWHRSA-N	237.064	-0.924	50	10	BBGE	
CN(CCC[C@H]1CC1(F)F)C(=O)C#CB(O)O	2247743496	DXICITUJAVWVHK-QMMMGPOBSA-N	245.034	-0.104	50	10	BBGE	
CC[C@@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)O1	2247746771	DGTAOENYBAOROB-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1occc1B(O)O	2247753535	AIPDTKLDUHKSEI-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2C[C@@H]2F)c1	2247761706	WMZIKUVGFIUPEA-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cncc(B(O)O)c1	2247772675	YKUBCSSLCLSJFX-SNVBAGLBSA-N	232.048	-0.790	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCCC12COC2	2247799485	DPDJJMWRMXAQTQ-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)C1CC(B(O)O)C1	2247800806	SXNCTIMNGTVLIP-RTBKNWGFSA-N	240.112	-0.502	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(F)F	2247803655	CCVAYMKJKCJORR-RRKCRQDMSA-N	248.038	-0.956	50	10	BBGE	
Cn1cccc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247803877	DMOUMTRGPHKDEE-KYZUINATSA-N	236.080	-0.106	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](O)C12CCC2	2247807658	IQSXDWMBAGMWSI-HACHORDNSA-N	239.080	-0.635	50	10	BBGE	
C#CCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2247808485	LBSHBGPHZIRMQV-BQBZGAKWSA-N	248.997	-0.127	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)C1CC(B(O)O)C1	2247809668	QKUGMTHIAXFGQC-UHFFFAOYSA-N	243.068	-0.693	50	10	BBGE	
CN(C[C@H]1CCN1C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810017	TVGHFFNQFFCUBC-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C(CNC(=O)c2coc(B(O)O)c2)[C@@H]1C	2247857493	VKRNBVQIQABSMJ-RNFRBKRXSA-N	237.064	-0.409	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247870842	QQVCRODTLMHHJB-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CCC[C@H](C1)N2	2247887479	OPNPTOWDBXCLLX-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
CO[C@H]1CC(=O)N(C(=O)C2CC(B(O)O)C2)C1	2247893376	QQTCDMPRANKCLO-RRQHEKLDSA-N	241.052	-0.987	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(O)(C(F)F)C1	2247911118	SZGRFIOCIGSPEK-OLQVQODUSA-N	249.022	-0.922	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@@H]2CC[C@H]2C1=O	2248080792	KGOCPAFISXHSTC-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](F)CN1C(=O)C1(B(O)O)CC1	2248591831	UGJWRFFETPHKIV-PHDIDXHHSA-N	245.015	-0.983	50	10	BBGE	
O=C(O)C1=CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248593402	MNSGPNICHMQDOA-FXQIFTODSA-N	239.036	-0.861	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1coc(B(O)O)c1	2255458734	VWLNBAFOFIJXQE-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
CCN(Cc1cccc(C)n1)C(=O)C#CB(O)O	2255468603	DCJQIXNWZICDPH-UHFFFAOYSA-N	246.075	-0.246	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cc(B(O)O)ccc1O	2256013889	JLUNORNJXQMTQE-YUMQZZPRSA-N	247.059	-0.790	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1cocc1B(O)O	2258133131	LWDVJNCOGXHHEB-HTQZYQBOSA-N	249.075	-0.265	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258134226	LQMHXLDSIJXBAQ-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]2[C@H]1CO)C1(B(O)O)CCC1	2298368165	QPFDEOXWQXRYIW-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368362	ADOOKQVCVRSIQJ-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370618	DXXBYJQIATWQKS-IGORNWKESA-N	241.096	-0.533	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376604	FMBDJNFYTYPVSP-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1C[C@@H](n2cncn2)C1	2300926202	JSZZCIBSKAMAMP-HLTSFMKQSA-N	239.279	-0.233	50	10	BBGE	
C[C@@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2301342933	FFQPARSMAWBQKQ-QMMMGPOBSA-N	234.064	-0.945	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303109726	UEXQYICVZUOFAW-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1C[C@@H]1N	2303857751	HMHABHXILMSIAB-WATHFIQWSA-N	240.043	-0.985	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2304251298	HTPJKEFILXMFNA-SGIHWFKDSA-N	241.096	-0.533	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cocn1	2317167080	CYTNFCBXEGAHFZ-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCCNC1=O	50398462	VAMNRBYOBRDOSW-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(CCO)CC1	54712777	ZOTJFYVDNMYOFL-SECBINFHSA-N	234.727	-0.002	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C)CC1	82466530	PSRIWYFZVGQGOK-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)CCCCN1C(=O)CSC1=O	82468311	ZILFKLDXZHZABF-UHFFFAOYSA-N	231.277	-0.158	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)CBr	82511232	YMYIQUSBEXKSPZ-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
C[C@@H]1CC(NC(=O)C(=O)NN)C[C@@H](C)C1	82835557	YBZJHNUYVXRNTJ-BQBZGAKWSA-N	213.281	-0.083	50	10	BBGE	
CC(C)n1ccn(CCC(=O)NN)c1=O	87667119	XAXRPCKHSUDCEB-UHFFFAOYSA-N	212.253	-0.389	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)CSC	89994554	OCTHOKCUTZFTPF-RXMQYKEDSA-N	206.267	-0.468	50	10	BBGE	
CC(C)(Cn1cnc2c(N)ncnc21)C(=O)NN	93728290	FKQVFSLLUHDDPY-UHFFFAOYSA-N	249.278	-0.575	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)[C@H]2C[C@@H]2C1=O	113667836	KIIHULUBAMOLCW-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)CC(F)F	123074470	CGNUORLHMFDOGA-UHFFFAOYSA-N	234.206	-0.025	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C(C)(C)CO	134192470	IUKRGHFWYXFNDO-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
NCC1(c2ccc(B(O)O)cc2)CCC1	211194127	GNNKFVXTMDRNTO-UHFFFAOYSA-N	205.066	-0.253	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467933	DLPRPZJCUAHZMI-NXEZZACHSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(N)=O)NS(=O)(=O)CCCl	232301505	HRISHZADOWGMOJ-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
CC[C@H](Sc1nccnc1N)C(=O)NN	234051124	FDSWLLSGQRVISH-YFKPBYRVSA-N	227.293	-0.081	50	10	BBGE	
CCCCC(=O)NNC(=O)NNC(N)=O	238225000	SGHSHPYRWUITPU-UHFFFAOYSA-N	217.229	-0.910	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H](CO)CCCO	238423134	KFVAHYQTIGEXPP-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
COC[C@@H](O[C@H]1C[C@H](C)O[C@H](C)C1)C(=O)NN	300017876	DTZGHSAVZUCMBB-UTINFBMNSA-N	246.307	-0.036	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H]2CCC[C@@H]21	300021428	UTQNODCNXSOTHE-AEJSXWLSSA-N	243.307	-0.755	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](C(N)=O)C1	300353110	UILKLTDVTZDJHV-BQBZGAKWSA-N	201.657	-0.075	50	10	BBGE	
COC(=O)c1cc(B(O)O)c(C2CC2)cn1	309192148	PACLICUVJDYDFL-UHFFFAOYSA-N	221.021	-0.575	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](O)C(C)(C)C1	388201568	SFWCNXMOBGRWOR-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)c1ccn(C[C@H](O)CBr)n1	388207393	KADJWXRQNGNVEE-RXMQYKEDSA-N	248.080	-0.262	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)co2)C[C@@H]1O	388716815	ZFQSQVAIMOISHF-XVKPBYJWSA-N	239.275	-0.304	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C/C=C/CCl)C1	389218379	LRLHBKZLIGZSLR-GPYPMJJRSA-N	218.684	-0.297	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H](N)C(C)C	389330306	UUILQLXEODRORB-ZCFIWIBFSA-N	203.242	-0.253	50	10	BBGE	
Cn1c(B(O)O)cc(C2CC2)c1C(=O)O	389346800	JGPJBYCWMMOAIO-UHFFFAOYSA-N	209.010	-0.720	50	10	BBGE	
CC/C(NN)=C(\C#N)C(N)=C(C#N)C#N	394851450	SNMSUAMFPAXMKG-FPLPWBNLSA-N	202.221	-0.103	50	10	BBGE	
Cn1nncc1CNS(=O)(=O)CCCl	394924639	PUEJHVISBUEIOE-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401710297	SRQVXKGJVQUGFH-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CO[C@]1(CO)CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	402604736	MHDPISQDNUGVCO-WCABBAIRSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CCSCC1	403767326	IAXWSCBPZLFCOU-VIFPVBQESA-N	247.364	-0.181	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1[C@@H]2COC[C@@H]12	404989741	ZGJVWFDLDBWEFI-HTQZYQBOSA-N	247.059	-0.803	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)N(C)C	405156209	WQSMVINDXHCSAB-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
CCOC(=O)[C@@H]1C[C@H](Cl)NNC1=O	585662291	SCQUMHQVRQUAKX-RFZPGFLSSA-N	206.629	-0.245	50	10	BBGE	
C[C@@H]1CCCN(CCC(=O)NN)[C@H]1CO	688736790	LGLDFXVYXIJIPQ-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CN1CC[C@H](N(C)S(=O)(=O)CCl)C1=O	690248371	BWBNQYZMMFRKSF-LURJTMIESA-N	240.712	-0.325	50	10	BBGE	
N#CC1(O)CCN(CC(=O)N2CCCC2)CC1	692115061	RVTMJTAQECANBD-UHFFFAOYSA-N	237.303	-0.041	50	10	BBGE	
Cc1nn(CCOC(C)C)c(C)c1B(O)O	694275405	HKXNINLMACKKSZ-UHFFFAOYSA-N	226.085	-0.395	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cccnn1	700692613	WQUOIBHXTGDTEB-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(NS(C)(=O)=O)C1	702955159	RQVORJJOFAVRLL-RXMQYKEDSA-N	240.712	-0.626	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H]1C[C@@H](O)C1	703804710	HUSMCVBCIFKGBY-AOOOYVTPSA-N	229.324	-0.151	50	10	BBGE	
CCCS(=O)(=O)N[C@@H](C)C(=O)N(C)N	707522762	LFNRYJFMWPDPTQ-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
CCOC[C@@H]1CCN([C@@H](C)C(=O)NN)C1	708273198	NOLLVXQHRFIGKO-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)Cc1cccc(B(O)O)c1	724135160	ACOXPROCKPUMSL-QWHCGFSZSA-N	249.119	-0.024	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCNC1=O	725699459	NYZGTMVUBHCOKT-RFZPGFLSSA-N	233.655	-0.672	50	10	BBGE	
COc1ccc(B(O)O)c(C)c1C(=O)O	757176100	ZSXPDKCYFDDZSX-UHFFFAOYSA-N	209.994	-0.618	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccncn2)nc1O	1306237544	IZGZFXLGVJMUEF-UHFFFAOYSA-N	247.218	-0.567	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cncnc1	1324201436	GFVHNLARFDVFQC-UHFFFAOYSA-N	208.177	-0.900	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)C1CC1	1440415286	YTOAGZCLTMKVLI-SSDOTTSWSA-N	210.233	-0.418	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)[C@@H](C(=O)O)[C@@H]1C	1614489014	KJCZPNBVFPDREP-HSUXUTPPSA-N	201.226	-0.389	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1ncncc1F	1641589238	MJEKWVYLSFKHJX-SKRYNEFJSA-N	226.211	-0.004	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ncccn1	1643046081	SMCIHEIQPWULJN-KNVOCYPGSA-N	236.231	-0.992	50	10	BBGE	
O=C1C[C@H](NC[C@H]2C[C@H]2Br)C(=O)N1	1877357499	GLQORKRERWPZSL-PBXRRBTRSA-N	247.092	-0.226	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@@H]2CN1C[C@@H](O)CCl	1877592760	GGKCSFGKJLNLMJ-BZNPZCIMSA-N	205.685	-0.101	50	10	BBGE	
N[C@H](C(=O)CCl)C1CS(=O)(=O)C1	1881413386	LBZZZTOTMUJODR-LURJTMIESA-N	211.670	-0.834	50	10	BBGE	
O=Cc1cc(B(O)O)cc(Cl)c1F	1881847720	QJXQDPZPHFUZAZ-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@H]1CCN(C)C1	1888051263	VONNNVPRDUYOCQ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNC(=O)C1	1893498024	OGERGIRDTHAHGD-OWOJBTEDSA-N	216.624	-0.734	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1NC[C@@H]1C	1901377107	KFYNAYVWHQYJCA-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@H]2CF)O1	1908716167	XSABBTPUGXLOJI-AEJSXWLSSA-N	245.298	-0.042	50	10	BBGE	
C[C@@H](Cn1cccc(C#N)c1=O)C(=O)NN	1912220273	BKTHRJHUJRPSJM-ZETCQYMHSA-N	220.232	-0.654	50	10	BBGE	
Cc1coc(C(=O)Nc2ncccc2B(O)O)c1	1913620175	MTWNJJNTNWZYTM-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)(C)[S@](C)(=O)=NCC(=O)NN	1913881154	WRFMWCVHHAWODY-ZDUSSCGKSA-N	207.299	-0.127	50	10	BBGE	
CC(C)(CN1C[C@@H](CO)C(C)(C)C1)C(=O)NN	1914010007	CUEOAPCNFFEIAD-VIFPVBQESA-N	243.351	-0.047	50	10	BBGE	
O=S(=O)(NCCCCl)N1CC(O)C1	1914175887	IZTQCEODYOEJHP-UHFFFAOYSA-N	228.701	-0.874	50	10	BBGE	
C[C@H](CO)N(CC(=O)NN)Cc1ccccc1	1914329921	FALGIHWZDUUUDJ-SNVBAGLBSA-N	237.303	-0.141	50	10	BBGE	
C[C@@H](CN1CC2(C1)CC2(F)F)C(=O)NN	1914522375	UORCWPZHHZLXQO-LURJTMIESA-N	219.235	-0.047	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923402692	SVGYHDVNULDKJQ-BYPYZUCNSA-N	228.170	-0.143	50	10	BBGE	
CN1C[C@H](NCc2nnnn2C)[C@H](Cl)C1	1928752844	JJHPJQZMIPXXLY-RQJHMYQMSA-N	230.703	-0.779	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC[C@@H]1CCl	1929731164	JOPNLCLUIVCZBJ-RXMQYKEDSA-N	242.684	-0.100	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCCOCC1	1929838082	IRCSIRVCZROJHL-MRVPVSSYSA-N	202.254	-0.584	50	10	BBGE	
Cc1nc(=N[C@H]2COC[C@H]2Cl)n(C)[nH]1	1930283942	VHVOAYZSPKUUFY-RQJHMYQMSA-N	216.672	-0.036	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CO[C@@H](C2)C1	1932136418	UBZDQPRQAAZCPO-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@]1(C)CO	1932968533	YCYKTDIWIYVZKZ-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
COC1(CO)CN(C[C@@H](Cl)C#N)C1	1935350469	WVWCKQQWTXJYBI-ZETCQYMHSA-N	204.657	-0.190	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936093951	IZMNEFXQUGOTBK-UTLUCORTSA-N	227.308	-0.419	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936095472	XKYXZNRDZHBNNP-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)COCCOC[C@H]1CCCCO1	1936532638	INQDLQVXJRGYGU-SECBINFHSA-N	232.280	-0.421	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1937982741	YNNYVKUFBLSONS-GXSJLCMTSA-N	229.324	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCC[C@H]1O	1938248574	IEMZFTQSNODZOJ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CN(CCOCC(=O)NN)C1[C@H]2CCC[C@H]12	1938335348	XDUGNNUIVWSTRC-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCCn1ccn(CC(F)(F)C(=O)NN)c1=O	1940896146	PODBREJLZIGBCB-UHFFFAOYSA-N	248.233	-0.315	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C2CCC1(CO)CC2	1941088354	PSPZXYVUGDHZCV-HUXNSBQSSA-N	239.319	-0.398	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@]1(C)CCOC1	1941089856	XUIJSVZEOAUUBT-HOSYDEDBSA-N	241.335	-0.029	50	10	BBGE	
CN(C)C[C@H]1CCCN1CC1(C(=O)NN)CC1	1945882002	ACVDNPPAUBOVPH-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@H]2COC[C@@H]21	1954369841	ZKLGLHAXEBKACL-ACZMJKKPSA-N	205.641	-0.557	50	10	BBGE	
COC[C@H]1CCOCCN1C(=O)NN	1955613089	CRXIBXYVQXQVQN-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NCB(O)O	1956212267	WICZMCPLFUJPSO-WHFBIAKZSA-N	206.985	-0.594	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@@H](C)C(=O)NN	1956485932	ZZISHMYRTPZNLQ-JGVFFNPUSA-N	203.286	-0.687	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(C#N)C1	1960085504	QVHPKKOTAMWMHA-MRVPVSSYSA-N	210.281	-0.154	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@H]2C)ncc1B(O)O	1961694986	XFBXFOBRMWEDIW-SVGQVSJJSA-N	208.026	-0.748	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cccc(B(O)O)c1	1969586433	UIOKFIXMOCZEOK-GZMMTYOYSA-N	233.076	-0.153	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])c(F)cc1B(O)O	1974576938	DFLSMGKURRMJTD-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
NC(=O)[C@H]1CN(CC=CCCl)C[C@@H]1C(N)=O	1978818566	PQRDKUISHABDPT-YUMQZZPRSA-N	245.710	-0.700	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@H](CO)C1	1979229798	GCQZEBSNPMGADI-AEJSXWLSSA-N	227.308	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnsn1	1979643251	JYYSDYBFDRLCDV-BQBZGAKWSA-N	243.336	-0.016	50	10	BBGE	
CON(c1nccc(C)c1B(O)O)C(C)C	1981414934	XYKLVNHLIHJBQD-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]32)c(B(O)O)c1	1981468835	IYPAEEQYEBYTQD-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
CCCN(C)c1nc(C)nc(C)c1B(O)O	1981469133	NADRCZGSCPBIAZ-UHFFFAOYSA-N	223.085	-0.381	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1982705819	WVRNJFOBOSWNNH-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
CC=CCCCn1cccc(B(O)O)c1=O	1984588546	DGAGQVDOSAAXKP-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
CC(C)(C#N)CS(=O)(=O)NCC=CB(O)O	1991326013	BVIDIEGINXHPDZ-UHFFFAOYSA-N	246.097	-0.976	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)NCC=CB(O)O)C1	1991329069	VMSWPUAKHMLOPY-MRVPVSSYSA-N	227.069	-0.514	50	10	BBGE	
N[C@H](Cc1cn(C[C@@H]2C[C@@H]2Cl)nn1)C(=O)O	1991437429	GBPBUCIZWNYVRL-APQOSEDMSA-N	244.682	-0.140	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C(=O)C=CC(=O)Cl	1991650290	BGMQQGNLMCPSCZ-HZGVNTEJSA-N	247.678	-0.349	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@@H](C2)C3)nc1	1992341295	GGYAEULSSSPKFU-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)ccc1F	1992836279	LMCTXRSWKFZMGR-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)Cc1ncno1	1997738041	GXAALMRUEOAWHS-MRVPVSSYSA-N	241.295	-0.094	50	10	BBGE	
Cc1cnc(O[C@@H]2COC[C@@H]2C)c(B(O)O)c1	2004925836	WCYINKFESZUFFM-WCBMZHEXSA-N	237.064	-0.516	50	10	BBGE	
CCO[C@@H]1CCN(c2ncccc2B(O)O)C1	2004934460	FKWKJBRKUDCEKI-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@]3(C)C2)ccc1B(O)O	2005015260	YDYBBIDTAZJNPR-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
CC(C)(CN1CC(=O)NCC1(C)C)C(=O)NN	2006924324	BCWGWQBOYHMNHM-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016372060	XCIBVNIEFRBJMS-WYVINJBVSA-N	239.319	-0.423	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@H](C)O[C@H]1C	2019211490	QGQBKHBDCNKEAO-OYNCUSHFSA-N	243.307	-0.349	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CO[C@@H](C)C1	2019219163	JTVIVSDOSQRVDG-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NCC=CB(O)O)C2	2020059480	NZAYWHPBZKNQOY-PUSIOWJLSA-N	239.080	-0.372	50	10	BBGE	
OB(O)c1ccccc1CN1O[C@H]2C=C[C@H]1C2	2021868728	PXXGBZNRUOTGDP-QWRGUYRKSA-N	231.060	-0.189	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cc1	2022196722	QIWZUQMPMUZWRP-UWVGGRQHSA-N	231.060	-0.495	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]1C1CCOCC1	2022408264	NCLNQWDFNJPHIZ-DTWKUNHWSA-N	241.291	-0.845	50	10	BBGE	
CCCN(CC12CC(C(=O)NN)(CO1)C2)OC	2023853719	NGPOZVHHHYLQRT-UHFFFAOYSA-N	243.307	-0.201	50	10	BBGE	
Cn1cnc2c1CN(C[C@H]1C[C@H]1C(=O)NN)CC2	2051113536	WSBMYLZDQMLAMM-RKDXNWHRSA-N	249.318	-0.596	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@H]2C[C@@H]21	2051853172	FUELUKOATGVOTL-STQMWFEESA-N	247.103	-0.352	50	10	BBGE	
CC[C@H]1CN(c2ccncc2B(O)O)CCN1C	2052498976	MIJLLWFJDQNAIX-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)c1ncc(B(O)O)c(C)n1	2052552391	RVYCMBCEUXKTKU-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
CC(C)(C)c1ncn(-c2ccncc2B(O)O)n1	2052597525	RGUOVBFODQOATA-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCc2c[nH]nc2C1	2076081289	HKESHCYOVLRZIM-MRVPVSSYSA-N	249.079	-0.801	50	10	BBGE	
N#Cc1ccc(CC(=O)NCC#CB(O)O)cc1	2077484468	XCESUKLTDISMHA-UHFFFAOYSA-N	242.043	-0.768	50	10	BBGE	
O=C(CN1C[C@@H]2C[C@H](C1)O2)NNc1ccccn1	2077858017	JYTWYLOKZNGQRJ-AOOOYVTPSA-N	248.286	-0.002	50	10	BBGE	
COc1cc(B(O)O)c(F)c(F)c1C=O	2080106845	FMFLVLPECBFJAO-UHFFFAOYSA-N	215.948	-0.534	50	10	BBGE	
OB(O)c1ccc(COC[C@H]2[C@H]3COC[C@@H]23)cc1	2080347335	RRPRBHYGGBMYSC-CLLJXQQHSA-N	248.087	-0.225	50	10	BBGE	
CO[C@]1(C)CCN(c2cc(B(O)O)ccn2)C1	2217176801	ANCKBJIDSDFBFV-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
CN(C)CC1(Nc2ccc(B(O)O)cn2)CC1	2217177059	DZQIIMDGOGUDOU-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
CN1CC[C@@H](CNc2ncccc2B(O)O)C1	2217177568	KLZCRFFXNPAIGA-VIFPVBQESA-N	235.096	-0.875	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCOC2)c1F	2217179026	FHMYNEYTBHPKKU-ZETCQYMHSA-N	240.043	-0.651	50	10	BBGE	
COC[C@H](CF)Nc1nccc(B(O)O)c1F	2217179978	PSSDCWXFLIDOCV-LURJTMIESA-N	246.022	-0.703	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@H]2CO)cc1B(O)O	2217180975	MSBLBRHLQUTCPT-BDAKNGLRSA-N	236.080	-0.890	50	10	BBGE	
Cc1cnc(N[C@@H]2CN[C@@H](C)C2)cc1B(O)O	2217183855	LFWCAFMVBTUPIP-IUCAKERBSA-N	235.096	-0.768	50	10	BBGE	
CC(C)[C@@H](CCN)Oc1ccc(B(O)O)cn1	2217189329	BRJBTKWXSUFEOU-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
N[C@H]1CC[C@H](Nc2ncccc2B(O)O)CC1	2217200908	VXLUTVYIDBLKPW-KYZUINATSA-N	235.096	-0.557	50	10	BBGE	
CC(C)(C)N(CCC#N)c1ncc(B(O)O)cn1	2223632367	ITWLMCHSVFKLED-UHFFFAOYSA-N	248.095	-0.325	50	10	BBGE	
Cc1cnc(NC[C@H](N)C2CCC2)cc1B(O)O	2223648666	OIASHQUMMAHZRG-NSHDSACASA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@@H]2CNC[C@@H]2C1	2223650810	RCVFWGLZQPLYFZ-MYJAWHEDSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(OC[C@]23CC[C@@H]2CNC3)c1	2223660501	MGAPMSROSYGMGG-BXKDBHETSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC12CCOCC2	2223673764	HOLVBUFBBFJZSQ-JTQLQIEISA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@]23CCCOC3)c1	2223678775	HTWNWLKDPOASKI-ZYHUDNBSSA-N	248.091	-0.258	50	10	BBGE	
Cn1c(O)cn(C[C@@H](O)CCl)c1=O	2241379497	KRHGGIHUNKZLRM-YFKPBYRVSA-N	206.629	-0.508	50	10	BBGE	
COC[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2241480639	MLJAJHRXHNAOBV-LYFYHCNISA-N	201.031	-1.000	50	10	BBGE	
CP(C)(=O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241494655	AUACJOCXJGWAOP-WDSKDSINSA-N	218.986	-0.454	50	10	BBGE	
OCCCCN1CCC(B(O)O)CC1	2241736578	HUCRARAICHZUKS-UHFFFAOYSA-N	201.075	-0.302	50	10	BBGE	
CCN=c1cc(B(O)O)c(Cl)c[nH]1	2242391508	GRYZJMANSPIAMD-UHFFFAOYSA-N	200.434	-0.732	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cscc1B(O)O	2243347269	KIIMWHBXPORUJD-ZCFIWIBFSA-N	245.084	-0.094	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CCCOC1	2243361392	AQYIHDVDTPZUIN-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
C[C@@](CO)(NC(=O)C1(B(O)O)CC1)C(F)F	2243363122	BIEBABLTYOFODX-ZETCQYMHSA-N	237.011	-0.874	50	10	BBGE	
C[C@](CO)(NC(=O)C1(B(O)O)CC1)C1CC1	2243363892	NXQFZIZPDAIALS-SECBINFHSA-N	227.069	-0.729	50	10	BBGE	
CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381617	HFGOTCVDOUMZCZ-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243392458	UHAUIOOXEXDQEC-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
CN(Cc1ccno1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392820	XHNANIGBLKETQL-YUMQZZPRSA-N	224.025	-0.504	50	10	BBGE	
CN(Cc1ncon1)C(=O)C1(B(O)O)CC1	2243398087	MFCUPNCDLCIYPM-UHFFFAOYSA-N	225.013	-0.965	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CC[C@H]1N	2243404824	VDZFXBLXZAHILO-BZNPZCIMSA-N	226.085	-0.813	50	10	BBGE	
CN(Cc1ccno1)C(=O)C1(B(O)O)CC1	2243409977	SIDLHKYMGWWSQI-UHFFFAOYSA-N	224.025	-0.360	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1coc(B(O)O)c1	2243410301	ZBMKHMUFDKXVDV-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
CC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243419623	COYMZTZMDGTSGH-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cc(B(O)O)co1	2244220721	GZYVIWXJDIOKKO-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCCCS1	2244547258	XSBXKFQWVIAWPT-VIFPVBQESA-N	241.121	-0.206	50	10	BBGE	
O=C1C[C@H](C2CC2)CN1C(=O)C1(B(O)O)CC1	2247758349	VDMCKWDCACXERC-QMMMGPOBSA-N	237.064	-0.222	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C(C)C	2247784406	UKPPWOIUUHAOSF-ZETCQYMHSA-N	239.084	-0.746	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247785125	GFCMYODWGRMHPU-DKIAZLNASA-N	239.080	-0.371	50	10	BBGE	
COC[C@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)OC	2247798395	SZASXBSBZRUWAB-YIZRAAEISA-N	245.084	-0.983	50	10	BBGE	
O=C(NCCCC1CC1)c1cc(B(O)O)c[nH]1	2247847429	XDAPIZRVXCPMBW-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
NCCN(CC1CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897905	YIRCWJFZTAXKCA-MGCOHNPYSA-N	240.112	-0.563	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCn2nccc2C1	2247899503	NPQVNSLKIPDMEN-IUCAKERBSA-N	235.052	-0.912	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1CN2)C1CC(B(O)O)C1	2247903968	NUJRCFHLYCJZGS-IRWNXEEJSA-N	238.096	-0.894	50	10	BBGE	
CON(C)c1ccnc2ccc(B(O)O)cc12	2249070831	XEVLLVCRKAXZIX-UHFFFAOYSA-N	232.048	-0.088	50	10	BBGE	
CO[C@]1(CN2CCC(B(O)O)CC2)CCOC1	2249350716	BGRJBSSMTUCFCO-NSHDSACASA-N	243.112	-0.269	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1cocc1B(O)O	2249408791	HRNBZOVHMMTCGE-HZGVNTEJSA-N	241.027	-0.611	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](C1)[C@@H]2O)C(=O)NN	2249558034	MMNCEDJIUZEBPE-MYJAWHEDSA-N	241.335	-0.295	50	10	BBGE	
O=C(NCCC#CB(O)O)C1C[C@@H]2CC[C@H]2C1	2250007576	BGVPMMRWVFXILX-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ccncc1B(O)O	2255444922	QBFIGMFVVOYODY-GFCCVEGCSA-N	248.091	-0.224	50	10	BBGE	
Cc1ccc(NC(=O)c2coc(B(O)O)c2)nc1	2255457263	ZZKOSSGXLZGMOE-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1ccoc1B(O)O	2255465387	JYCKQNDTVUGPRA-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255472058	BUPYSFVERZWGRG-QMMMGPOBSA-N	247.063	-0.930	50	10	BBGE	
C=C(C)CCCNC(=O)c1ccc(B(O)O)cn1	2255520886	PTTGKWRWEZZWEG-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cncc(B(O)O)c1	2255531758	REFOMQBEVALXEK-LLVKDONJSA-N	246.075	-0.707	50	10	BBGE	
O=C(N[C@@H]1CCC2(CC2)C1)c1cc(B(O)O)n[nH]1	2255686286	OWCPPXYETHPKHB-SSDOTTSWSA-N	249.079	-0.848	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C(=O)[C@H]2CCC[C@H]21	2255716131	APTRRTRLHBYQBF-POYBYMJQSA-N	249.031	-0.890	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1B(O)O	2255729136	QGHNUEWRFBQFTM-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)n[nH]1	2255762794	AUKGVODIJAEPBO-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@@H](C)[C@H]2C)c(B(O)O)c1	2255787677	BMTFLAYEHKZXJS-RKDXNWHRSA-N	248.091	-0.450	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H](C)CC#N	2257487140	LAXGXMUWNKRRJG-MRVPVSSYSA-N	247.063	-0.898	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H]2CCCN2)cc1B(O)O	2258824220	WHAIHISKBHDEOF-ONGXEEELSA-N	249.123	-0.378	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165641	OVMGQTYBGLVWMF-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@@H]3CC[C@@H]32)nc1	2298225779	WGWXFRVEJJALQB-HGNGGELXSA-N	233.080	-0.243	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H]2CO	2298369163	LFMUTUAWSZJEAN-MBXMOIHESA-N	239.080	-0.779	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2CN(C)C2)n1	2298945082	JOYHTQUVIOTOOH-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC=C[C@H]1CO	2300365593	ACWABJZBVGXBIF-OUAUKWLOSA-N	239.319	-0.375	50	10	BBGE	
OB(O)c1ccc(OCC2[C@H]3COC[C@H]23)nc1	2302544464	GLTRJRXWNQTRFT-IUCAKERBSA-N	235.048	-0.967	50	10	BBGE	
C=C(C)CC(=O)Nc1ncc(B(O)O)cc1F	2302852860	RGRYEQZJIKVQSH-UHFFFAOYSA-N	238.027	-0.195	50	10	BBGE	
CC1(C)COC[C@@H](CN2CC[C@@H](B(O)O)C2)O1	2303147493	OMYHGKARFNNEOH-NXEZZACHSA-N	243.112	-0.271	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2304186444	JWGXGEHIIOQFRP-MBXMOIHESA-N	241.096	-0.533	50	10	BBGE	
Cc1cnc(N2CC(CCC#N)C2)cc1B(O)O	2316038895	JLKAVBKILOCLSP-UHFFFAOYSA-N	245.091	-0.190	50	10	BBGE	
COCC(=O)N1CCC(NC(=O)CCl)CC1	35229179	UWIYUIGEQRAEES-UHFFFAOYSA-N	248.710	-0.021	50	10	BBGE	
CN1CCN(CCNC(=O)CCCl)CC1	37759826	UQCSOCCZYNPMQQ-UHFFFAOYSA-N	233.743	-0.021	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)CCCCl	70910066	BLDNBVUYNUBXSN-ZCFIWIBFSA-N	223.656	-0.345	50	10	BBGE	
C[C@H](Oc1cccc(CO)c1)C(=O)NN	82465660	JTTHHZNTQQOENV-ZETCQYMHSA-N	210.233	-0.064	50	10	BBGE	
C[C@H](CN1CCSCC1)C(=O)NN	82466612	YAHRTIUCYQGUJL-SSDOTTSWSA-N	203.311	-0.339	50	10	BBGE	
NNC(=O)c1cc(Cn2ccnc2)on1	82468527	DAKHSDHDWHDQEO-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[C@H](CN(CCO)C1CCCC1)C(=O)NN	82470095	XFNSATYBXQVYNU-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H]2CC[C@@H]1CC(N)C2	104022262	WOGWHTXHEZZWPE-NXEZZACHSA-N	240.307	-0.892	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2cncn2)c1	203581820	WTPJCQUWGHUTAR-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCOC)CCOC	211988712	YKACBFJHTUCHTK-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CCN(C)C(=O)CNC(=O)CBr	218816459	JKPYBASWUISMCL-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
C[C@@H](CO)CNS(=O)(=O)CCCl	232300173	KASHPUOMWVNEMM-ZCFIWIBFSA-N	215.702	-0.227	50	10	BBGE	
NNC(=O)COc1ccc(CCO)cc1	236239815	ZWJBOCADHXUOAJ-UHFFFAOYSA-N	210.233	-0.410	50	10	BBGE	
C=CCc1cc(OC)c(O)c(B(O)O)c1	238396364	IUOSVQXOTHIKPR-UHFFFAOYSA-N	208.022	-0.191	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1CC[C@@H](C(=O)NN)O1	251767868	MFPXGIXGVREATI-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CN(CCCO)Cc1cc(C(=O)NN)co1	300772213	CYIOTVWCABELEX-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
O[C@@]12CO[C@@H]([C@H](Cl)[C@@H]3O[C@@H]31)[C@@H]1O[C@@H]12	306233372	LOFKFQJINDDDOR-IHUFIRFVSA-N	204.609	-0.728	50	10	BBGE	
CCC(=O)NNC(=O)c1cnsn1	306356730	DFLKNTYESDNVKF-UHFFFAOYSA-N	200.223	-0.291	50	10	BBGE	
Cc1ccnn1-c1cccc(B(O)O)c1	308948031	GSGJFPWQPCGYMX-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
Nc1nccnc1C(=O)NNC(=O)C(F)F	309535163	FEZDOXWJRARXHZ-UHFFFAOYSA-N	231.162	-0.915	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2B(O)O)N1	309552701	MEDYZQSURUMMJJ-HLTSFMKQSA-N	226.085	-0.870	50	10	BBGE	
NNC(=O)CCCCN1CCSC[C@H]1CO	388087967	CNSZDQSGXILNCW-SECBINFHSA-N	247.364	-0.444	50	10	BBGE	
CN1C[C@@H](N=c2[nH]nc(CCCl)o2)CC1=O	390459266	BJKHWSZFOWJKIF-LURJTMIESA-N	244.682	-0.085	50	10	BBGE	
OCc1sc2cccc(O)c2c1B(O)O	396345886	QJSMBEMULUPMGY-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1ccc2cc(O)sc2c1B(O)O	396373447	AFGOCPZMTQDVJI-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCOC1(C)CN([C@@H](COC)C(=O)NN)C1	399953059	ULMHGAWUUXCQDZ-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
CN(C)S(=O)(=O)CC[S@](=O)Cl	675071770	QONLOHCBBJISON-JTQLQIEISA-N	219.715	-0.220	50	10	BBGE	
N#CC1(O)CCN(CCN2CCCC2=O)CC1	687798881	NCBAZLBEPYBQIG-UHFFFAOYSA-N	237.303	-0.041	50	10	BBGE	
C[S@](=O)CCN1CCC(O)(C#N)CC1	687822686	PFYAPUKLUVSYPF-AWEZNQCLSA-N	216.306	-0.285	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]12COC[C@H]1C2	689290617	WYYVHFQOURUHFW-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
Cn1cnnc1CN[C@@H]1COC[C@@H]1Cl	689532566	IJSMDGKFCIUMQE-NKWVEPMBSA-N	216.672	-0.089	50	10	BBGE	
CO[C@H](CN(C)C[C@@H](C)C(=O)NN)C1CC1	701421863	OYNYHGBCKWQWCJ-PSASIEDQSA-N	229.324	-0.031	50	10	BBGE	
O=C(CN1CC=CCN1)NNc1ccccn1	707792602	GBVFEARAHBYQEQ-UHFFFAOYSA-N	233.275	-0.099	50	10	BBGE	
CN(C(=O)c1cnn(C)n1)[C@@H]1COC[C@H]1Cl	709091756	ZXJXUCJXPLFILQ-HTRCEHHLSA-N	244.682	-0.107	50	10	BBGE	
C#CCC[C@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	717914464	YMXCDXNNHBEBJK-GUBZILKMSA-N	237.255	-0.323	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H]1CO2	718287093	QPANBZOWEBJXKW-JBDRJPRFSA-N	213.281	-0.526	50	10	BBGE	
C[C@@H](Cl)C1CN(C(=O)c2nnn(C)n2)C1	719941893	JRUNCTAZSXITQX-RXMQYKEDSA-N	229.671	-0.091	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)[C@H]1CCCO1	817216371	XKTVCOKTHGXUPP-RNFRBKRXSA-N	211.221	-0.528	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cn(C)nn1)C1CC1	855188753	UKCMSZRDVDGAAP-ZCFIWIBFSA-N	237.263	-0.378	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)Cc1ccccc1O	855759815	IRLWRHUWHSFAIG-ZETCQYMHSA-N	238.243	-0.537	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cn1cncc1C	860667694	IFYFHVWDIOHZJR-UHFFFAOYSA-N	239.279	-0.116	50	10	BBGE	
NC(=O)C1(C(=O)NNc2ccc(F)cn2)CC1	874649222	FDKNQTNLAHFQKK-UHFFFAOYSA-N	238.222	-0.071	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)COc1ccsn1	1141855584	VFNSUYFKLUAKAP-SSDOTTSWSA-N	245.304	-0.134	50	10	BBGE	
CN(C)C(=O)C1CN(S(=O)(=O)CCl)C1	1260931338	GJQFLUGUCBWCAO-UHFFFAOYSA-N	240.712	-0.468	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ncccc1N	1464545285	SIUYGRDGTDLIJE-UHFFFAOYSA-N	223.236	-0.420	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccnc(F)c1	1543664476	NBLTZLZKALIQRJ-UHFFFAOYSA-N	226.211	-0.277	50	10	BBGE	
O=C(Cn1cncn1)NNc1ccncn1	1641044756	FVHXCIZZCBAWKE-UHFFFAOYSA-N	219.208	-0.789	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	1648686997	YVCOYKNIKODVLS-FXQIFTODSA-N	212.249	-0.438	50	10	BBGE	
O=C(NCCS(=O)(=O)O)C(Cl)Cl	1865988417	JFTFFCKUQNDJTH-UHFFFAOYSA-N	236.076	-0.206	50	10	BBGE	
COC[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1	1875834771	FRPRRGVBNASDGW-GXSJLCMTSA-N	249.075	-0.869	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@@H]2Br)COC1	1877372983	VVGIQVQGFXJXDN-WDSKDSINSA-N	249.108	-0.386	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2C[C@H]1CN2	1877519302	BSGYBTAFCPXQSL-DZZRMOGLSA-N	214.652	-0.119	50	10	BBGE	
O=S(=O)(CCOCCCl)NCCO	1883180640	XIFKUGXISSEDHL-UHFFFAOYSA-N	231.701	-0.847	50	10	BBGE	
Nc1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H]1Cl	1883638171	DAYDKALNKTTWLY-IMJSIDKUSA-N	200.629	-0.020	50	10	BBGE	
C=C(Cl)Cn1cc(B(O)O)ccc1=O	1885132064	GECSYJFSLQGEEG-UHFFFAOYSA-N	213.429	-0.719	50	10	BBGE	
CCC[S@](=O)N1CC[C@H](B(O)O)C1	1891606813	JHYKQXFCXJAZHJ-CPFSXVBKSA-N	205.088	-0.391	50	10	BBGE	
NC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1893453740	QBBCAFIJVWTNLL-CWKFCGSDSA-N	218.684	-0.296	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@H](O)CO	1893509115	JAIDKNNRVVTURO-IPWVHJGXSA-N	221.640	-0.833	50	10	BBGE	
CN(NC(=O)CC1CCNCC1)S(C)(=O)=O	1901339133	IVKIHLJARVTOON-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CC[C@@](C)(CN1CC([S@@](C)=O)C1)C(=O)NN	1902714782	YTHIOHZMSHNSFI-MGPLVRAMSA-N	247.364	-0.545	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC=C[C@H]2CO)C1	1908358942	SHLRIELJBKOYJN-AXFHLTTASA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3CC(C3)C2)O1	1908715093	CRDZVXLFBLFTHH-LXKPXOPUSA-N	239.319	-0.134	50	10	BBGE	
COC[C@H](C)OC[C@@H]1CCC[C@H](C(=O)NN)O1	1909804618	GYSAWQJANJDOIP-LPEHRKFASA-N	246.307	-0.035	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914868662	GFWISYRCSMJHGC-UWVGGRQHSA-N	239.323	-0.715	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917100123	FUSFFASTVCGRQM-KWQFWETISA-N	247.314	-0.203	50	10	BBGE	
CC[C@]1(F)CCN(CCOCC(=O)NN)C1	1925558942	PVYFGBSUVNOUNI-JTQLQIEISA-N	233.287	-0.183	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]1CO	1927914117	QVMGKMXQYBKHTI-HRDYMLBCSA-N	213.281	-0.931	50	10	BBGE	
CC[C@]1(C)CN(CCC(=O)NN)CCO1	1932354228	BWKWDKHHFLIAME-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
CC(C)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NN	1932512216	RKLQIIQETGQMSV-YUMQZZPRSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](c1cncn1C)N(C)CC(=O)NN	1934637435	SRQRLVDGKDXWTP-SSDOTTSWSA-N	211.269	-0.597	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CSC[C@@H]2C1	1936095191	UUKQPYYYVUAIGF-XFWSIPNHSA-N	241.360	-0.093	50	10	BBGE	
CCC[C@@]1(O)CCN([C@@H](CC)C(=O)NN)C1	1937987908	UILMNSPCDCHRSU-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CCOCC1	1938247737	WTVNMPIBFUHPNH-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@@H]2C1=O	1940086226	BJBCFANZEVVYOA-RITPCOANSA-N	233.218	-0.520	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@H]1COCCO1	1940286442	CQJSMIBAWVPCEO-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CCCN1CCO[C@@H]2COCC[C@@H]21	1940342544	AUCHJTRLVXJPBZ-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
CN(C)C1[C@@H]2CN(CC(F)(F)C(=O)NN)C[C@@H]12	1940894291	TVNHIHFMNYMVMM-RNFRBKRXSA-N	248.277	-0.897	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1	1941083378	QDLAJEGHFMUSHJ-QUARPLMYSA-N	239.319	-0.685	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1943089187	JOLWOTLFSKLWEA-OUAUKWLOSA-N	241.335	-0.296	50	10	BBGE	
O=C1CN(C[C@@H]2CN3CCC2CC3)CC(=O)O1	1945573934	ARSAHRZKFSWYJJ-JTQLQIEISA-N	238.287	-0.286	50	10	BBGE	
O=C(c1cocn1)N1CC[C@H](B(O)O)C1	1951320335	GZEDUOFSPCIWEQ-LURJTMIESA-N	209.998	-0.637	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@@H](O)[C@@H](C)O	1954240579	VQCCCSLKRHKVFK-RRKCRQDMSA-N	209.673	-0.138	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC[C@](O)(CO)C1	1955551263	NNGYRSXXNJGJBF-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H]1CCC[C@H]1S(=O)(=O)NCB(O)O	1957403209	CIISKBJFDWORHP-RNFRBKRXSA-N	221.087	-0.894	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F	1957875569	QGODRENBHYIMIT-VWDOSNQTSA-N	215.228	-0.771	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC12CC(CO)C2	1958791187	OGCAWFKGBLSZGE-ZNFPMYQNSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21	1961458930	WGXZSOTWCBBXET-RNFRBKRXSA-N	212.253	-0.687	50	10	BBGE	
NNC(=O)c1sncc1Cn1cccn1	1961921138	GICJGHLGAKJEBL-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
COC[C@H](Sc1ncncc1N)C(=O)NN	1975751234	DIHMMDSJERJYOP-LURJTMIESA-N	243.292	-0.844	50	10	BBGE	
O=C1CN(Cc2nccc(O)n2)CC(=O)O1	1978011860	PQBCXQAKOVGCOC-UHFFFAOYSA-N	223.188	-0.932	50	10	BBGE	
C[S@](=O)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	1981209428	WMKHRYPJWOVDRA-PWJLMRLQSA-N	247.364	-0.546	50	10	BBGE	
COC[C@]1(C)CCN1c1nc(B(O)O)cs1	1982947306	LQOPFVKCFFTEGV-VIFPVBQESA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H](O)[C@H]1C2	1983568700	WRKWIWOHBRDWEP-FSDSQADBSA-N	235.234	-0.933	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ncc(F)cc1B(O)O	1988005419	ZKNYJTJXHLDIMR-HZGVNTEJSA-N	224.044	-0.255	50	10	BBGE	
CC(F)(F)C1(CNC(=O)C(=O)NN)CCC1	1988717210	SESNXQODBVWZRR-UHFFFAOYSA-N	235.234	-0.082	50	10	BBGE	
CCCCS(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991326466	HBPLOFGPFVANAF-SECBINFHSA-N	247.125	-0.193	50	10	BBGE	
CCCOCC(=O)N[C@H]1CCC=C1B(O)O	1991333668	UNNDBDIFTKYROM-VIFPVBQESA-N	227.069	-0.370	50	10	BBGE	
O=C1NC(=O)N2CCN(C[C@@H]3C[C@@H]3Cl)C[C@H]12	1991437707	HQCRHYHSPKKTHH-BIIVOSGPSA-N	243.694	-0.150	50	10	BBGE	
C=C(CN(C)[C@H](C)c1cnn(C)c1)B(O)O	1992152362	DLNWQCBJQHDWIG-SECBINFHSA-N	223.085	-0.019	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994019714	IXMQAMSATPSMMR-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOCCOCC1	1997202437	DJROIBWYAOWWLD-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866982	YNSAZRZMCKXVAB-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CC[C@H](O)CN(CCOCC(=O)NN)C1CC1	2000011537	NACCFANZZDBJEB-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
CC(C)NC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)NN	2003616631	JZEWUEMLHLYRTF-IUCAKERBSA-N	242.323	-0.646	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCCCNC1=O	2004249350	JSOGBZYFVSECAE-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
Cc1nnc(CN(C)CC(F)(F)C(=O)NN)o1	2004410060	SRRKPEVNEDSJQS-UHFFFAOYSA-N	249.221	-0.565	50	10	BBGE	
CC[C@H]1[C@@H](C)CCN1c1ncc(B(O)O)cn1	2004919715	CDXBQWGEXQDIFB-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
Cc1cnc(OC[C@H]2CCCO2)c(B(O)O)c1	2004934815	ITKBXVUVLOKUHA-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
COCCN(CCF)c1ncccc1B(O)O	2004934886	JEZMEROCIQIYNB-UHFFFAOYSA-N	242.059	-0.816	50	10	BBGE	
CO[C@H]1CC[C@@H](n2nc(C)c(B(O)O)c2C)C1	2013950696	AKIOJYLTDXCCSE-ZJUUUORDSA-N	238.096	-0.080	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(CCO)C1	2014778366	CMSNCJHDBYXAGH-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CC(F)F)C1COC1	2019896536	BKRNGFDCFDWPNQ-XPUUQOCRSA-N	249.261	-0.422	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H](C#N)C1	2050240951	CYCGTXRPFSPJBA-QMMMGPOBSA-N	248.290	-0.631	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C)(N(C)C)C1	2052621493	HZFODMOXURRJED-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@@H]2C1	2058157543	ZZOCQQSMDFSWSZ-MXWKQRLJSA-N	247.103	-0.036	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1C#N	2060290012	LGZDCUFBDFIHRA-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
Cc1ccc(B(O)O)c(N2O[C@H]3C=C[C@H]2CC3)n1	2077857084	ZYFAJUXMZIQHPI-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
Cc1nc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)ncc1B(O)O	2086990726	OCYXLBMRDPIXCB-FNCVBFRFSA-N	246.075	-0.502	50	10	BBGE	
CC1CC(NC(=O)CCl)(C(N)=O)C1	2209384525	GCHBDHXBUIGCKL-UHFFFAOYSA-N	204.657	-0.005	50	10	BBGE	
OB(O)c1cccnc1OC1C[C@H]2C[C@@H]2C1	2212294039	OUFVWCOZTDQBCV-HTQZYQBOSA-N	219.049	-0.061	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2212601701	RUNUXCOHKGXQJF-YUMQZZPRSA-N	224.069	-0.403	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1(F)CC1	2212614624	FRZNXNHVNFJPPJ-ZCFIWIBFSA-N	225.032	-0.541	50	10	BBGE	
C[C@H](CN(C)C)Nc1cc(B(O)O)ccn1	2212615385	OEWWFOVNBHYGTK-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C(C)(C)C(N)=O	2215772328	NKLGYEBZNYRPKB-JGVFFNPUSA-N	242.323	-0.802	50	10	BBGE	
OB(O)c1cccnc1OCC1CCNCC1	2217168462	ZEKKBKZHWJHVEG-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
CCCCNCCOc1ncccc1B(O)O	2217171257	CKJYEADQRBYEHW-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
COC[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2217178623	YLFGQPAQOCHBDF-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
C#CCCCCN=c1cc(B(O)O)c(C)c[nH]1	2217182810	HDSLDRGGDNHCAO-UHFFFAOYSA-N	232.092	-0.293	50	10	BBGE	
CCC(N)(CC)COc1ncccc1B(O)O	2217184445	OYVVNXIFPMLKHU-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1nccc(B(O)O)c1F	2217185219	ZKLBWOSBQRYIBL-XPUUQOCRSA-N	242.059	-0.528	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)ccn2)[C@@H]1C	2217198597	DEQLLJWOCJWYLL-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
C#C[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217199455	MLSKPMAZCYDFHN-GXSJLCMTSA-N	230.076	-0.025	50	10	BBGE	
O=C(CCc1cccc(F)c1)NCC#CB(O)O	2217820985	DHYRBTAGMCEMEL-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
CC[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CN1	2223670232	UTQUYXLKDIRUGQ-MNOVXSKESA-N	249.123	-0.296	50	10	BBGE	
COC[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2241480824	MLJAJHRXHNAOBV-LYFYHCNISA-N	201.031	-1.000	50	10	BBGE	
COC(=O)c1cc(C)sc1B(O)O	2241494519	YYJZWBNMZJLFPO-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
C[Si](C)(C)OC1(CN)CS(=O)(=O)C1	2241504412	PDTYNNBECWRNLP-UHFFFAOYSA-N	223.370	-0.036	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2OC[C@H](CO)O[C@@H]2C1	2242762735	XGEBJTWFLTTYPC-XHNCKOQMSA-N	249.694	-0.398	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2243347500	MREBRJAOQIYGCN-ZCFIWIBFSA-N	221.021	-0.981	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)C2(B(O)O)CC2)C1	2243363716	KYYVUWOBNZSTNA-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
O=C(NCCc1nccs1)[C@H]1C[C@@H]1B(O)O	2243396856	RSAFBYIMMUAGCP-BQBZGAKWSA-N	240.093	-0.335	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1CCCCO1	2243399787	QLHIXUAVENLGOM-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
N[C@H]1CCCN(C(=O)C2(B(O)O)CC2)CC1	2243408958	YGIDIRQUSSHQOH-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CC2)no1	2243410935	KQUMASARRNQRGZ-UHFFFAOYSA-N	225.013	-0.999	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1sncc1B(O)O	2243414709	GZMCYKNLYGFWGY-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CC1(O)CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243414794	IHOTXBBZHOJGDL-WXFYJTIXSA-N	227.069	-0.731	50	10	BBGE	
O=C(NCCC#CB(O)O)C1C[C@H]2C[C@@H]2C1	2244547831	GJBPJBKDRSTCFF-RKDXNWHRSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc(S(C)(=O)=O)cn1	2245194424	ULNWPPBZIMRTKI-ZCFIWIBFSA-N	246.292	-0.772	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)C1(B(O)O)CCC1	2246206256	GLDFXCGKQVVNKG-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
C=C1CC(CO)(Nc2cc(B(O)O)ccn2)C1	2246895537	OYXYGVPYYITOAN-UHFFFAOYSA-N	234.064	-0.746	50	10	BBGE	
NC[C@@H](NC(=O)C#CB(O)O)C1CCCCC1	2247741567	BPJDIDOVUZUXHS-SNVBAGLBSA-N	238.096	-0.974	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC[C@H]2C1	2247744248	PTFJGIAAFFWEFM-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
CC(C)(F)[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247748214	ZKNMNDUZBWJVKJ-VIFPVBQESA-N	241.071	-0.012	50	10	BBGE	
O=C(NCCc1ccnnc1)C1(B(O)O)CC1	2247753878	APCQWVZYWHGBOP-UHFFFAOYSA-N	235.052	-0.858	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2247757933	YKWVACDTCNIIDA-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
O=C(NC[C@@]12COC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247787088	KTOMTUYFWKOSSY-REIXXSIJSA-N	239.080	-0.608	50	10	BBGE	
CC(=O)NC(=O)c1cc(C)cc(B(O)O)c1F	2247795918	QARHRHZIUXXRMW-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCn2cccc2C1	2247800670	RISVIGFBPIFZKB-NXEZZACHSA-N	234.064	-0.307	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2247809770	RGEWFOLMHAAREX-VAPHQMJDSA-N	238.096	-0.894	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C#CB(O)O)C1(C)C	2247851186	WJHLUGJGAWGYCG-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(CC2)CO1	2247852329	SGMSRQSPFKCBOK-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CCCC1	2247855660	VZPYUPBCTZCVGT-UHFFFAOYSA-N	236.080	-0.576	50	10	BBGE	
Cc1ncn(C)c1CNC(=O)[C@H]1C[C@H]1B(O)O	2247860254	UIUBVCGTCPKOAH-JGVFFNPUSA-N	237.068	-0.792	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247869096	LXNHNIOHHCTVLB-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
O=C(NCC[C@@H]1CCCOC1)[C@@H]1C[C@@H]1B(O)O	2247886533	CKJUZDKDZDSWPW-AEJSXWLSSA-N	241.096	-0.218	50	10	BBGE	
CCN(O)C(=O)c1cc(C)c(B(O)O)c(C)c1	2247892711	GNYMNKDHYJGAQO-UHFFFAOYSA-N	237.064	-0.165	50	10	BBGE	
O=C(NCC[C@@H]1CCCCN1)[C@@H]1C[C@@H]1B(O)O	2247898969	JAPRKJVQLJFZJE-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899571	OHYQUNJHTGNFSG-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)OC[C@H]1C	2248491027	CWJXCGXKPIUWGR-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
CC(C)(C)OC(=O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2248580113	ZJKBULBHMJOWQB-RQJHMYQMSA-N	243.068	-0.693	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248586316	YZXQBVUJTMEVFK-LYFYHCNISA-N	243.068	-0.535	50	10	BBGE	
CON(CCC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248586429	AVTVYWSHFBGEHI-KNVOCYPGSA-N	245.040	-0.896	50	10	BBGE	
O=C(NCCCC1(O)CC1)[C@H]1C[C@@H](B(O)O)C1	2249267508	UJIJTOBKNIUNGB-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1cc(B(O)O)co1	2249412328	WSIIADLJWLLNHX-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
C#CC12CC(CCN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2250893211	YWGKKEPRKAUISD-OWNCLDLKSA-N	233.076	-0.136	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1coc(B(O)O)c1	2251013203	CDXFGOUTGUHWNE-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2255453022	DIKOREPIEZQBFO-BEYHFKMWSA-N	247.059	-0.560	50	10	BBGE	
N#CC1CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2255462757	ZKFMFKZHUISCSM-UHFFFAOYSA-N	247.063	-0.930	50	10	BBGE	
O=C(N1CC[C@@H](c2ncc[nH]2)C1)C1(B(O)O)CC1	2255491393	WKRMDLRUTPMNAW-MRVPVSSYSA-N	249.079	-0.267	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NC1(C)CC1	2255498165	ODCZAIXUNAERFM-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ncncc2B(O)O)C1	2255521169	SRVSCTPYIQVVFY-SFYZADRCSA-N	249.079	-0.925	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(C)(C#N)C1	2255691220	BXXQROILKGQBCN-UHFFFAOYSA-N	248.047	-0.747	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@@H]21	2255890799	BIYGPNSFAPRQCO-KCJUWKMLSA-N	246.075	-0.008	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ncc(B(O)O)c(C)n1	2256642451	ZROYMJTUZVFPDI-SSDOTTSWSA-N	249.079	-0.384	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258125416	QBGVTYQZLKONQG-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1cccnc1	2258134312	VRJSYTOURIHLHE-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
C[C@]1(O)CON(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300368170	GNRMDQBQFOPWAG-FXPVBKGRSA-N	243.307	-0.609	50	10	BBGE	
C[C@@H](CCN)Oc1ccc(B(O)O)cc1C#N	2301367208	DMWNTDODEZTFTJ-QMMMGPOBSA-N	234.064	-0.646	50	10	BBGE	
C[C@H](COc1cncc(C(N)=O)c1)C(=O)NN	2301612597	XJVMZSNBPFOCIH-ZCFIWIBFSA-N	238.247	-0.815	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2302189203	WCSWLLUKKJUBQQ-XHNCKOQMSA-N	239.080	-0.371	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306283183	JRTVDRGJFRJIQL-UKKRHICBSA-N	241.335	-0.154	50	10	BBGE	
CC12CC(C1)[C@@H](Nc1ncccc1B(O)O)CO2	2315944088	SWTPMNBXAURVHC-BSTRBVHOSA-N	248.091	-0.259	50	10	BBGE	
CCC1(Oc2ccc(B(O)O)cc2C#N)CNC1	2317153264	KDHWDNPYKGKPTA-UHFFFAOYSA-N	246.075	-0.631	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@H]1CN	2317166833	ZVUXQNGKHZEPMB-KWQFWETISA-N	246.075	-0.646	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C[C@H]2CO)cc1B(O)O	2317311779	VILCOCDPQCBZKC-UWVGGRQHSA-N	249.075	-0.781	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1	6472079	WQGABZVHBJTWCX-UHFFFAOYSA-N	223.188	-0.687	50	10	BBGE	
NNC(=O)COc1cccc(C(N)=O)c1	70167269	QSLGLWOUQZSNFE-UHFFFAOYSA-N	209.205	-0.846	50	10	BBGE	
CN1CCc2sc(C(=O)NN)nc2C1	75848561	UEUNKKVFHGJITC-UHFFFAOYSA-N	212.278	-0.266	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](CO)C1	82465833	WFCIPFBFTYUDQJ-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)C1CC1	82466938	ZCDIOQWSDCKMNT-RKDXNWHRSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](CN(C)Cc1nccn1C)C(=O)NN	82469280	QNWPTBADHZKAFY-MRVPVSSYSA-N	225.296	-0.522	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNCC2)o1	82469772	KPYBMPXHBOITHY-UHFFFAOYSA-N	224.264	-0.712	50	10	BBGE	
CNC[C@H]1CCCN(C[C@H](C)C(=O)NN)C1	82471270	SRLUJBPMQZRTLD-VHSXEESVSA-N	228.340	-0.456	50	10	BBGE	
O=C(CBr)N1CC[C@@H](O)C1	82511151	IZSAXHPAZLENAP-RXMQYKEDSA-N	208.055	-0.026	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)C(=O)NN)[C@@H]1C	83050236	NJEPKPGGAUCTHY-BWZBUEFSSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCC(=O)NC1=O	84404774	HXZUSYHVWKPTOT-CRCLSJGQSA-N	218.640	-0.465	50	10	BBGE	
CC(C)(CN1CCC[C@H](C(N)=O)C1)C(=O)NN	93727850	CWALWXUHKRBNKF-QMMMGPOBSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@H](N)C2)o1	110591487	CZYRUIDWBOJMNA-QMMMGPOBSA-N	238.291	-0.194	50	10	BBGE	
NNC(=O)CCCN1CCC(OCCO)CC1	129811870	HAQOSSANFKNFAL-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@@H]1C	161682963	ZJOFIBLEABDSLA-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	232419360	IMYNDSVDYLZWIB-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](Sc1cc(C)nn1C)C(=O)NN	232421469	MRCJWAUKUJPQLC-ZETCQYMHSA-N	244.320	-0.174	50	10	BBGE	
O[C@@H]1CN(CCOCCCl)C[C@H]1O	236541897	SJWBCBFLQZUUKT-HTQZYQBOSA-N	209.673	-0.721	50	10	BBGE	
CC#Cc1nncc(B(O)O)c1Br	238053796	GUIWAQAHQSEROW-UHFFFAOYSA-N	240.853	-0.710	50	10	BBGE	
C[C@H](NNC(=O)c1ccncc1)C(=O)O	238427830	QIXGUCWVXKEQTA-LURJTMIESA-N	209.205	-0.211	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251257412	XIRGXFHXEAOPJK-OYNCUSHFSA-N	227.308	-0.257	50	10	BBGE	
C[C@@H](CN1CC[C@H]2CC[C@@H](C1)N2C)C(=O)NN	252642399	MVSYVZDKCSJZAE-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
CC[C@@H](N)C(=O)NNc1ncc(F)cn1	309473545	RLVZJJPHBBIATN-ZCFIWIBFSA-N	213.216	-0.204	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCC2(O)CCC2)[nH]1	381277932	XLKNIMHOONPWKK-UHFFFAOYSA-N	243.698	-0.228	50	10	BBGE	
COCC1(O)CN(C(=O)CCCl)C1	383967532	HLTQPHMLZPZMJY-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CCN(CC(N)=O)[C@@H](C(=O)NN)C(C)(C)C	395806556	IVBPDDCFPBIFCI-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
N#Cc1ccc2sc(B(O)O)c(CO)c2c1	396212108	BELDUUVKAUPMOH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(CO)(OC)CC1	402701225	GGODOSMKCUPPOB-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
COCC(=O)Nc1ccc(C)c(B(O)O)c1	404982782	QQFKIGDMWNOCBX-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)NC1CCC1	405133916	IGEBSBKETQEKRG-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
CC12CC(CN1C(=O)c1ccc(B(O)O)cc1)C2	585010187	JDEBBLYYZVDGFA-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
C[C@H]1[C@@H]2CC[C@@H](C[C@H]1O)N2C[C@@H](C)C(=O)NN	686194220	VUWNILPMPLIOLN-ORMBPQIASA-N	241.335	-0.154	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)C[C@H](C)O1	689159627	IGHXMDDTESXDHS-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
Cn1nnnc1CN1CCN(CCCl)CC1	697775597	UOBVEPOJWAJWEG-UHFFFAOYSA-N	244.730	-0.434	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnn2)nc1	699020006	POAFSPYNUMBHEG-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)C[C@H]1CO	700397061	FPYNWRDXPBSLGR-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
CCOC[C@H]1CN([C@@H](C)C(=O)NN)CCO1	705878390	OHCQXEGPAWGSRI-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CCN1Cc1cc(C(=O)NN)no1	706736571	UVRAUYNUEYYORC-LURJTMIESA-N	210.237	-0.128	50	10	BBGE	
Cn1ncc(C(=O)N2CCC(O)(C#N)CC2)n1	709377083	RPJVRNUQICYQKC-UHFFFAOYSA-N	235.247	-0.694	50	10	BBGE	
CN1CC[C@@H](COc2cccc(B(O)O)c2)C1	709482505	KQUCDWYQCPQNEC-SNVBAGLBSA-N	235.092	-0.303	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C(=O)NN)C(C)(C)O1	709653270	SBFSJCQQQHDTKC-SSDOTTSWSA-N	243.307	-0.314	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1C	710920755	UZPWRLQKPLQHAB-OPRDCNLKSA-N	229.324	-0.032	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2COC[C@@H]2C1	718240557	GPVYUEGHPYFVKU-IUCAKERBSA-N	213.281	-0.665	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@]1(C)CO	722999308	GQPFWJJUUJOFNK-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CN1CCC[C@@]1(C)CO)C(=O)NN	723000625	ROGUMWDBASNQCS-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
O=C(N[C@@H]1COCC[C@H]1Cl)C1=NCN=C1	725690800	VOUJOJXYTBGXAY-HTRCEHHLSA-N	229.667	-0.018	50	10	BBGE	
CCNC(=O)NNC(=O)COCCOCC	746841356	KCPKMUOIXFQCFR-UHFFFAOYSA-N	233.268	-0.610	50	10	BBGE	
O=C(CO)NNC(=O)C1(C(F)(F)F)CC1	753439504	OTARMHVMUCCELS-UHFFFAOYSA-N	226.154	-0.531	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2nnn(C)c2c1	757700379	QDWVJRCLNAEJGS-UHFFFAOYSA-N	233.231	-0.251	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1	832750031	RVIABTHRCLHMDI-SFYZADRCSA-N	244.291	-0.280	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC(=O)NN)CS1	1882945678	IPHBEKNWDCMYAU-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
N[C@H](C[S@](=O)C[C@H]1C[C@H]1Cl)C(=O)O	1883567776	RCKJMPMWJXIFTD-RIXJGGMQSA-N	225.697	-0.226	50	10	BBGE	
C[C@]1(CCl)CN(CC[C@@H](O)CO)C1=O	1885778775	XCXDCBRBXUTJBG-APPZFPTMSA-N	221.684	-0.183	50	10	BBGE	
C#CCNC(=O)CNC(=O)CCCCl	1887695068	VOADEKWJBNMWGF-UHFFFAOYSA-N	216.668	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CCO)CC1	1888150981	VQFFMRWCFDKOIZ-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCS	1888554005	FWCAAPOTSBNOIY-UHFFFAOYSA-N	226.323	-0.381	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C(F)F)C1	1891515851	AQDJAWFMNUNHON-ZETCQYMHSA-N	206.985	-0.283	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@H]1C[C@@H](O)CN1	1893127258	GTDXZGKDQKHULZ-OOJXKGFFSA-N	218.684	-0.547	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893451967	AHQOKMVTZRQBCX-HSNKUXOKSA-N	219.668	-0.120	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@@H]1F	1895381199	BMYCIWWPGKUNDJ-BDAKNGLRSA-N	223.012	-0.337	50	10	BBGE	
O=C(NCC1(CO)CNC1)[C@H]1C[C@H]1Cl	1901392869	CKCQVKFTWUUBGL-NKWVEPMBSA-N	218.684	-0.688	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]2[C@H]1CCN2C	1908657966	DNUDXTGSHBLDCC-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCCC2=O)O1	1909807578	FQQHHMXKOVANNH-IUCAKERBSA-N	241.291	-0.464	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C[C@@H](C)C(=O)NN	1912261165	CVHZBRQCJJKSOO-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
COC1CC(N(C)C[C@H]2C[C@H]2C(=O)NN)C1	1914825188	QTLBELKYVPERJM-SEZDTBSWSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](CCO)N(C)CCCC(=O)NN	1917043396	QHLTYJWTFYDKFF-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
COC(=O)NCC(=O)NNC(=O)C(F)(F)F	1923393102	IYFYMVGEYFWHLP-UHFFFAOYSA-N	243.141	-0.948	50	10	BBGE	
Cc1csc(=O)n1C[C@@H]1C[C@@H]1C(=O)NN	1927911830	RTOXFJNCHPMOAT-BQBZGAKWSA-N	227.289	-0.156	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@H]1CN(C)C[C@@H]1Cl	1928957103	IIJWZFAXDUUYGV-AATLWQCWSA-N	234.727	-0.089	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@H](O)CO	1930115249	DKIBQFPXJXPNKW-LURJTMIESA-N	206.242	-0.550	50	10	BBGE	
C[C@@]12C[C@H]1CN(CC(F)(F)C(=O)NN)C2	1932250822	YWSCSLCRZLAKTC-XPUUQOCRSA-N	219.235	-0.047	50	10	BBGE	
O=C(CBr)NC[C@@H]1COC[C@@H]1O	1933390749	YWFLVKOPERXVIQ-RITPCOANSA-N	238.081	-0.495	50	10	BBGE	
COC[C@@H](C)CN(C)CC(F)(F)C(=O)NN	1935931684	MPWIPXUQWUESSB-ZETCQYMHSA-N	239.266	-0.174	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1936095075	TVCJWROIOIHAPG-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
CCn1ccn(CC2(C(=O)NN)CC2)c1=O	1938258156	HCJWCXSBKNEQOX-UHFFFAOYSA-N	224.264	-0.560	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@@H]1COCCCO1	1939100564	JNYGSFDMLYXUQX-LURJTMIESA-N	240.206	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCC(=O)N(C)C	1940302634	IREOLGIETHECLG-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941094251	LCNVPAQPNOZRMC-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
CN(CCCCC(=O)NN)CCn1ccnc1	1944476179	USZPYHGNMCTEEY-UHFFFAOYSA-N	239.323	-0.025	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@@H]1C=O	1946672388	FJRCTPRCAKQVOX-WCBMZHEXSA-N	241.291	-0.547	50	10	BBGE	
C[C@H]([C@H]1CC(=O)OC1=O)S(C)(=O)=O	1951529906	ZYYPLYRHJUXKSN-RFZPGFLSSA-N	206.219	-0.491	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1cnc2cnccn12	1953026425	NDAJJPAFJHQURL-VXNVDRBHSA-N	203.205	-0.386	50	10	BBGE	
CS(=O)(=O)C1(C(=O)N=C=O)CCC1	1953821134	IGQXQKBTWUTICR-UHFFFAOYSA-N	203.219	-0.184	50	10	BBGE	
NNC(=O)C(=O)NCC1(F)CCCC1	1954910041	FUKCPOGYLDUUJW-UHFFFAOYSA-N	203.217	-0.625	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)[C@H](C)C(=O)NN	1955062066	DVNNATDGPICLCS-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NNC(N)=O	1956197069	ADEJIGWDFYSZDK-DMTCNVIQSA-N	207.180	-0.023	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1F	1957434603	XRLYRWVSMJRWPA-NTSWFWBYSA-N	203.217	-0.627	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCC1(F)F	1958710876	CALLCQWZRMCHOO-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)[C@@H](C)C1	1959005854	BQXIJLPTKWXGQT-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1974542492	XCFBXBVMCUNVBB-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
COC[C@]1(C)CCN1CCCC(=O)NN	1974733973	LZVXJHWGTQRBKW-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
O=C1CC2(C[C@@H]3CS(=O)(=O)C[C@H]3C2)C(=O)O1	1977002787	FKUBVTJFTUAXKW-RNFRBKRXSA-N	244.268	-0.099	50	10	BBGE	
Cn1cnc(Cl)c1CN1CC(=O)OC(=O)C1	1980112942	MSRGMELQYRYNKC-UHFFFAOYSA-N	243.650	-0.041	50	10	BBGE	
OB(O)c1ccc(N2CC(CCF)C2)nc1	1981413271	DQRAIPNQELTBQX-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)[C@@H]1C	1981417096	WYTCUNQGVNWBFX-JGVFFNPUSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCCCO1	1988000035	MWCLBFZVCXLQFS-UHFFFAOYSA-N	226.016	-0.568	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@]12CC2(F)F	1991326458	GYQBJDQMNGHJNP-HTRCEHHLSA-N	231.007	-0.284	50	10	BBGE	
C[C@@H]1CCCN(C(=O)NCC=CB(O)O)C1	1991335280	YHUWQPUWPZVSDK-SECBINFHSA-N	226.085	-0.004	50	10	BBGE	
NN=c1cnc(C(=O)NC[C@H]2C[C@@H]2Cl)c[nH]1	1991432920	NMVBDBDOAFCMGK-RITPCOANSA-N	241.682	-0.459	50	10	BBGE	
NCc1cn(CC(=O)NC[C@H]2C[C@@H]2Cl)nn1	1991444298	ZGLXHUYMNFRJPB-SVRRBLITSA-N	243.698	-0.520	50	10	BBGE	
CCNC(=O)NCCNC(=O)C=CC(=O)Cl	1991648080	KYJWVBIWNPHWMQ-UHFFFAOYSA-N	247.682	-0.257	50	10	BBGE	
CN(CCN1CCNCC1)C(=O)[C@@H]1C[C@@H]1Cl	1991681333	ZOELPQZUZHAQMP-ZJUUUORDSA-N	245.754	-0.023	50	10	BBGE	
CN1CC[C@H](OCCC(F)(F)C(=O)NN)C1	1992112726	CRHHAWLCYACLQL-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@]2(CO)C1	1993215397	OFTFWMNPNPLJAF-SJQPAMGKSA-N	227.308	-0.685	50	10	BBGE	
CN(CC1(F)CC1)c1ncncc1B(O)O	1995036177	JYISVUHKPPEMKC-UHFFFAOYSA-N	225.032	-0.905	50	10	BBGE	
Cc1noc(CN(C)CC(C)(C)C(=O)NN)n1	1997734157	YRIQXWBSZIRXRH-UHFFFAOYSA-N	241.295	-0.174	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1c1ncon1	1997753291	XVSXLQLACJVJNG-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
CCC1(C(=O)N[C@H](CB(O)O)C(=O)O)CCC1	1998126261	QTLYGYALOWHAHF-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
CC[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C(C)C	1998136109	XHUWCZUZZRBESJ-YUMQZZPRSA-N	245.084	-0.289	50	10	BBGE	
C[C@H]1C[C@@H](OCc2nc(C(=O)NN)co2)CO1	2004761062	GIDIMTKXTQDGIX-NKWVEPMBSA-N	241.247	-0.028	50	10	BBGE	
COc1cc(CC(=O)NCB(O)O)ccc1O	2004766465	NUPWHAUCDBSHPR-UHFFFAOYSA-N	239.036	-0.929	50	10	BBGE	
OB(O)c1cnc(N2CC3CC2(CF)C3)nc1	2004917038	TWIBCNARASETNY-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC2(CC1)COC2	2008333990	NFWLKNNPMRABJX-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010834465	CWHOMVUHJJZOPO-GXSJLCMTSA-N	241.335	-0.029	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CC(=O)N2CCC[C@@H]12	2014830643	BZZFQDKHZJBUNK-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
NNC(=O)c1ccc(CN2CC([N+](=O)[O-])C2)o1	2016888689	GEMHINZHWHZWCG-UHFFFAOYSA-N	240.219	-0.656	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@]12CCOC2	2019208536	GVECCPLKOAWOQZ-NSHDSACASA-N	241.291	-0.591	50	10	BBGE	
CC1(COc2c(F)cccc2B(O)O)COC1	2021345202	LAOHNWWYTCIFLT-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1ccccc1B(O)O	2022196261	JSMVDIVUAQMYNY-QMMMGPOBSA-N	232.048	-0.602	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1ccnn1C	2033258760	WDMQOAFMBBFHRO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1ccc(N2CCOCC3(CC3)C2)nc1	2052469506	RKLJMKWFDDIOPC-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1C	2060379395	YXWGPFUHLMXFLX-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CCc1ccn(-c2nc(C)nc(C)c2B(O)O)n1	2063892994	PUWBSHAWGYWOIB-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2C[C@H]2C1	2079011117	ZFUGHMWWMSJSLL-UWVGGRQHSA-N	245.087	-0.152	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2C[C@H]2C2CC2)n1	2079931927	LVYZOQZHXSALFK-UWVGGRQHSA-N	248.091	-0.110	50	10	BBGE	
CN1CCC[C@@H]1COCc1ccccc1B(O)O	2080331254	BCTVRIUDWKWGED-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
O=C(O)[C@]1(C[C@@H](O)CCl)C=CCN1	2209323561	YBCWVBNAVAFPTE-HTRCEHHLSA-N	205.641	-0.041	50	10	BBGE	
CN1CC2(CCN2C[C@@H](O)CCl)C1	2209367805	RFQAMDCCCSUCSU-QMMMGPOBSA-N	204.701	-0.024	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H]1C[C@]2(C)O)C(=O)NN	2210373066	BVXZKHGQMIYKCV-REIXXSIJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CN(Cc2nscc2B(O)O)C[C@H]1F	2211138610	XHJJJXZZKHDJLD-POYBYMJQSA-N	244.100	-0.387	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCN1C)C(=O)NN	2211854135	HGNBXHGICPCEQX-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C#CC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2212603447	GFPJXXJONAHKKK-VIFPVBQESA-N	218.065	-0.106	50	10	BBGE	
CC[C@H](C)CCN=c1ncc(B(O)O)c[nH]1	2212611761	CTDJXKRPDLTKLK-QMMMGPOBSA-N	223.085	-0.574	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)C1CC1	2212612347	KFQAGEUGJABUMI-MRVPVSSYSA-N	220.081	-0.359	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1CC=CC1	2214651822	DERQEKRHZBYMPY-UHFFFAOYSA-N	233.036	-0.939	50	10	BBGE	
CCCN(CC(N)=O)C[C@H]1CC[C@@H]1C(=O)NN	2215770871	DZXXVTXLBCYPKP-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC=C(CO)CC1	2215772485	OIKWJADTKPSXLC-QWRGUYRKSA-N	239.319	-0.373	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215777934	WARSIBIWWCEJMT-FKSUSPILSA-N	237.259	-0.993	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@]2(F)C1	2216597339	IBOQYPQRDWHRFD-KWQFWETISA-N	236.055	-0.300	50	10	BBGE	
CC[C@@H](O)CN(CC)c1cc(B(O)O)ccn1	2217171682	DHNKHVKMOVAALW-SNVBAGLBSA-N	238.096	-0.641	50	10	BBGE	
CC(C)(Oc1ccc(B(O)O)cn1)C1CNC1	2217172627	LDXOWDSMMVBSKK-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
N[C@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2217176340	VICIIYIOLQIEPY-UWVGGRQHSA-N	235.096	-0.557	50	10	BBGE	
CC1(COc2cc(B(O)O)ccn2)CC(N)C1	2217185862	CDJWSRKYOJGIEA-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H](N)CC(C)(C)Oc1ncc(B(O)O)cn1	2217192058	MKDCXDXKMKIMDJ-SSDOTTSWSA-N	239.084	-0.949	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1c1ccc(B(O)O)cn1	2217199466	MNPKGYREZKQRCE-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2217200269	JAUSIVUELAHDPJ-ZLQIGIHNSA-N	231.064	-0.777	50	10	BBGE	
CNCC[C@@H](C)N(C)c1cc(B(O)O)ccn1	2217203489	VWRCDKNHTHYHPV-SECBINFHSA-N	237.112	-0.804	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1Nc1cc(B(O)O)ccn1	2223626604	IMVQSGQKZBSMLQ-CMPLNLGQSA-N	249.123	-0.440	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCCNC[C@H]2C3)nc1	2223647666	ZMQREOYHZQQFIG-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2243348281	WMMDRLROJLXCPD-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CC1(C)CC(C)(CNC(=O)C#CB(O)O)C1	2243349246	IMAISZWPJOJRLG-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C(F)(F)C12CC2	2243356337	GGCFHVQISTUEMH-ZCFIWIBFSA-N	228.991	-0.837	50	10	BBGE	
O=C(NC1(CO)CCCC1)C1(B(O)O)CC1	2243363983	PKTYJCKTERRSBW-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1N	2243391077	GCQYMUJAWNNCES-OSMVPFSASA-N	226.085	-0.909	50	10	BBGE	
C#CCN(C)C(=O)c1scc(C)c1B(O)O	2243415241	QQXUKXWNCPZRTF-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
C#CC(=O)N(C)[C@H](C)c1cc(B(O)O)cs1	2243678284	HFZFERJNMUZKCB-SSDOTTSWSA-N	237.089	-0.420	50	10	BBGE	
C=CCN(OC)C(=O)c1cocc1B(O)O	2244265463	OBGKGLDBWGCLPM-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
CC#CCCCNC(=O)c1ccc(B(O)O)o1	2247747875	UPGZPSBDCUCBTI-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247751900	FAOIUBVOUDTWFN-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
CCCONC(=O)c1cccc(C)c1B(O)O	2247752700	UOIHGINYCMYWDD-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2247756021	KPLQVOADBJUMSS-MRTMQBJTSA-N	239.080	-0.635	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786654	DTGWCUIQQSFTNN-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
NC[C@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247793684	ZIXOHEILOQORNA-UYXSQOIJSA-N	244.075	-0.863	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@]12CCNC2	2247799113	ZVGTUQNONJDPJT-FXPVBKGRSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1CO	2247804359	GQYROEDDTIZUGC-QEYWKRMJSA-N	241.096	-0.674	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247806337	FDYRURUIMKMDRU-HXFLIBJXSA-N	245.059	-0.565	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N(C)C1CC1	2247809165	YAPICVHXORNGQY-JEZHCXPESA-N	240.112	-0.552	50	10	BBGE	
CN(CC1CCC(F)CC1)C(=O)C#CB(O)O	2247842515	WBDCLVJNUDAGJY-UHFFFAOYSA-N	241.071	-0.012	50	10	BBGE	
C[C@@H]([C@H]1CCCCO1)N(C)C(=O)C#CB(O)O	2247846985	PQEYVJJIPHYFDA-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
CN(CCOC1CC1)C(=O)C1CC(B(O)O)C1	2247855046	MOVXHWNVZPDCMM-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)ccc1C	2247874952	VDXKRXDEWUBTSZ-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
CC[C@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247886730	FVDPFVULXZEWOR-AEJSXWLSSA-N	241.096	-0.389	50	10	BBGE	
CN1CC(CN(C)C(=O)C2CC(B(O)O)C2)C1	2247893493	SUSVTSIZAAHUTN-UHFFFAOYSA-N	240.112	-0.741	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1B(O)O	2248574627	BZHIAKNOUHCCLI-VGRMVHKJSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)C(=O)O	2248579034	XFTIOHXHZLHUMA-ULAWRXDQSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C(=O)O	2248579167	YBVNZVBVVBCUEL-RQJHMYQMSA-N	241.052	-0.828	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@@H]1C(F)F	2249164790	NSSPLPBHJRWJQT-YUMQZZPRSA-N	245.034	-0.201	50	10	BBGE	
CCN(CCC#N)C(=O)c1cc(B(O)O)co1	2249418417	TXHHLILIOLGWEW-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
C=CCN(C[C@H]1CCC[C@@H](C(=O)NN)O1)OC	2249506201	ZRFVGODHUPSGRS-ZJUUUORDSA-N	243.307	-0.037	50	10	BBGE	
C[C@]1(COc2ncccc2B(O)O)C=CCCN1	2253426590	DNSQYXVJBWVGJW-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C1CCC1	2255448978	JCUREYWFIPZAOW-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@@H]2C1	2255464224	TUNJVWXQEBTGQC-RKDXNWHRSA-N	248.091	-0.433	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1ccc(B(O)O)o1	2255465618	MWELSFFWWGKXIU-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)OCCO2	2255468473	BDHSKNOMZGMROC-UHFFFAOYSA-N	247.015	-0.588	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1occc1B(O)O	2255479246	QFNKITDUXISCOX-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1occc1B(O)O	2255489260	QJUKYKYUJJQXSJ-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2C3CCC(CC3)[C@H]2C1	2255679023	FCWJFGYTMIHCHB-KIDURHIOSA-N	247.103	-0.104	50	10	BBGE	
C=CC=CCCNC(=O)c1ccc(B(O)O)cn1	2255717152	WYNOPCGCOGHGDQ-UHFFFAOYSA-N	246.075	-0.377	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H](C2CC2)C1	2255741336	LDYKZTHGHWZILI-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(B(O)O)n[nH]1	2255762796	AUKGVODIJAEPBO-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)Nc1cccc(B(O)O)c1	2255894224	ZBPYRYGBBBIICA-VIFPVBQESA-N	246.075	-0.148	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1cocc1B(O)O	2258135929	IETDVEAUQMSQJW-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2261378107	LGKDHWXFVNOQLH-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
COc1ccccc1C=CC(=O)NCC(=O)NN	2297511119	KHOFFXQOBCMTKO-UHFFFAOYSA-N	249.270	-0.186	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370107	OYOSERVIAWFKOG-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1NCC2)[C@@H]1C[C@H]1B(O)O	2298370647	FRBFTFPUEYPUQQ-TURQNECASA-N	238.096	-0.750	50	10	BBGE	
CCC1(O)CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300375243	VUCCULKJDYVYTP-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC12CC(C1)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)CO2	2300512672	GPXLBEJCZOVWOS-MKSMHYHASA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](C1)NC2)[C@H]1C[C@H]1B(O)O	2300828785	QNWOKBWLSKMZOA-CKEKPRIKSA-N	238.096	-0.892	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H](C)N1CCOCC1	2300921757	SILRDRWEPLTVKT-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
Cc1ncnc(N(CCF)CCF)c1B(O)O	2301726529	ZTHGDXCKOPZNGD-UHFFFAOYSA-N	245.038	-0.790	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCOC[C@H]1CO	2302021778	DIKRPTRZKXMSCS-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1[C@@H]2CO	2302023789	QTGHNSRKHVXUMT-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CCOCCOCCN1CC[C@@](C)(B(O)O)C1	2303120939	POTVDLYJJOCRBE-LLVKDONJSA-N	245.128	-0.022	50	10	BBGE	
COC[C@H](OC[C@H]1O[C@H]2CC[C@H]1C2)C(=O)NN	2307486366	CXCQDYYOCFQIOX-QEYWKRMJSA-N	244.291	-0.425	50	10	BBGE	
CN(C(=O)COCC(=O)NN)C1CCCCC1	58837197	VLJVHRFPTRHSPA-UHFFFAOYSA-N	243.307	-0.216	50	10	BBGE	
C[C@@H]1CC(=O)N(CCCCCC(=O)NN)C1=O	71292187	AIXISOZBORSFQZ-MRVPVSSYSA-N	241.291	-0.068	50	10	BBGE	
C[C@@H](CSCCS(C)(=O)=O)C(=O)NN	82514826	NZBRTRBPLMBEIE-LURJTMIESA-N	240.350	-0.610	50	10	BBGE	
Cn1c(SCC(C)(C)C(=O)NN)n[nH]c1=O	86598331	GGCHXAWJQQILSH-UHFFFAOYSA-N	245.308	-0.783	50	10	BBGE	
Cc1[nH]c(=O)c(CC(=O)O)c2c1C(=O)OC2=O	101439677	IUDNSTKUMWJCID-UHFFFAOYSA-N	237.167	-0.379	50	10	BBGE	
CC(C)CN1CCN(C[C@@H](C)C(=O)NN)CC1	110580179	DUQWAAKWQSDFHV-LLVKDONJSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	123113051	SJWPVFWYNJPBON-KCJUWKMLSA-N	241.291	-0.870	50	10	BBGE	
CN(C)NC(=O)N1CCCN(CC(=O)O)CC1	149122432	GFSMQAAXLXLAAT-UHFFFAOYSA-N	244.295	-0.735	50	10	BBGE	
COc1cnccc1C(=O)NNC(N)=O	157740088	RXCLEHNXBXHFHG-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
C[C@@H]1C[C@H](N2CC(=O)OC(=O)C2)CCN1C	158876177	DZQVJWWSGGXLPF-RKDXNWHRSA-N	226.276	-0.146	50	10	BBGE	
Cc1sc2ncc(C(=O)NN)c(=O)n2c1C	181294683	HZLYGFYCBCCMRB-UHFFFAOYSA-N	238.272	-0.024	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124510	VHJUNSOWANGQHB-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@](C)(O)C1	235106549	BVTVZHPKXWKWND-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CCO[C@H](OC)c1ccc(B(O)O)cn1	238291994	GNYRJPWFKOJWLM-VIFPVBQESA-N	211.026	-0.557	50	10	BBGE	
NC1(c2cnc(Cl)c(B(O)O)c2)CC1	238569716	IQSHJTHWLLMWLG-UHFFFAOYSA-N	212.445	-0.637	50	10	BBGE	
COC[C@H](C)N(C)[C@H](C)[C@@H](C)C(=O)NN	252612179	WFKMVBVTUPQZLZ-DJLDLDEBSA-N	217.313	-0.032	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC[C@H](C)O	253012187	DBLNVUYYIGIUKW-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(C(=O)CCl)C1	306312589	SVHSXGGEMKXFQM-MRVPVSSYSA-N	220.656	-0.936	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COC[C@H]1Br	306501146	QZVHTOGYIFPVIO-RFZPGFLSSA-N	244.110	-0.302	50	10	BBGE	
Nc1ccc2c(N)csc2c1B(O)O	306921629	RBHYHNUWCLBYAS-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
OB(O)c1csc2cc(O)cc(O)c12	307496661	JDVBTMBFDQBNPZ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCC[C@H]2C1	309830590	CJOQWMANXBKNJM-OCAPTIKFSA-N	211.265	-0.375	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](CO)CC1	378815801	BSKXQDVQQNECJF-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
N#CCCCNC(=O)NNC(N)=S	388339788	JCUJXAYSYGRELV-UHFFFAOYSA-N	201.255	-0.662	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCC1(F)F	390947964	GKRGOFLODFOAPF-RXMQYKEDSA-N	221.207	-0.472	50	10	BBGE	
O=C(O)c1ccc2c(B(O)O)c(O)sc2c1	396381804	LKEOSKVBXRKEEK-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)(C)[C@@H](SCCC(N)=O)C(=O)NN	399213274	RYAWRWSPCDWFRT-ZETCQYMHSA-N	233.337	0.000	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCCOC1	401440942	ARKPOSIJECYTDY-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(C)C[C@H]1CCCCN1C(=O)NN	405189125	LJWJFTORIZDAIU-MRVPVSSYSA-N	200.286	-0.014	50	10	BBGE	
O=C1[C@@H]2N[C@H](Cl)CC[C@H]2NC[C@H]1[N+](=O)[O-]	605700881	BZKUVKRRCYHFIM-MVIOUDGNSA-N	233.655	-0.511	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)C(=O)C(=O)NN	687452342	HCAMWKFWYLHKOW-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1c1nnc(CCCl)o1	698137431	QHCMSMMHUHWFAH-NKWVEPMBSA-N	247.682	-0.217	50	10	BBGE	
Cn1cc(/C=C/C(=O)NNC(N)=S)cn1	700873548	MXPPPRFZWNCVFG-NSCUHMNNSA-N	225.277	-0.702	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCN1CC=CC1	703439462	OLKMBHVCYSSLOO-NXEZZACHSA-N	236.271	-0.225	50	10	BBGE	
CNNC(=O)CCc1c(C)nc(O)nc1O	704670666	SIWICJRRGNTZHM-UHFFFAOYSA-N	226.236	-0.621	50	10	BBGE	
C[C@H](CN1CC(OCC(F)F)C1)C(=O)NN	707397678	YHDMPLJJEWTVSD-ZCFIWIBFSA-N	237.250	-0.422	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H](F)[C@H](F)C1	714565784	NVDYQTYBCICYJV-XUTVFYLZSA-N	221.251	-0.007	50	10	BBGE	
NC(=O)CC1CC(NC(=O)NC(=O)CCl)C1	718499750	WCIHRDJMFXTLGW-UHFFFAOYSA-N	247.682	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccn(C)n1	723523028	DEANZVYTUICGHG-VIFPVBQESA-N	225.296	-0.380	50	10	BBGE	
C[S@](=O)NC[C]1C=C[C@@H](B(O)O)S1	725596184	SUFCVICRQSFNTJ-IYQDAUBNSA-N	220.104	-0.915	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC[C@H]1C(N)=O	757140862	CQHMQUGZXUHJJZ-UHNVWZDZSA-N	235.081	-0.144	50	10	BBGE	
CO[C@H](C)C(C)=NNC(=O)[C@@H]1COCCO1	763179112	MKLPCYXKWMGBBW-BDAKNGLRSA-N	230.264	-0.071	50	10	BBGE	
Cc1cnccc1C(=O)NNC(=O)c1cnn[nH]1	771320694	GWRHMYQTLLDYAU-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CN(NC(=O)C(C)(C)c1cnc[nH]1)C(N)=O	798301925	JPOPMSFCHSPPGM-UHFFFAOYSA-N	225.252	-0.271	50	10	BBGE	
C=CCNC(=S)NNC(=O)C1CC(C)(O)C1	822193864	XBOUSQPKMFSTGE-UHFFFAOYSA-N	243.332	-0.171	50	10	BBGE	
CC(Cn1cncn1)=NNC(=O)[C@H]1CCCO1	853348971	OQMNJMMBEOBKEJ-SECBINFHSA-N	237.263	-0.051	50	10	BBGE	
CC(C)c1nnc(C(=O)NNC(=O)CN)s1	857762838	FYBPBLMUQCSHNZ-UHFFFAOYSA-N	243.292	-0.619	50	10	BBGE	
O=S1(=O)CC2(C1)OC[C@@H](CCl)O2	886003162	KPNKQWWLSFRZDD-RXMQYKEDSA-N	212.654	-0.235	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)CCF	900619878	ZZHQGTMQQLRRCF-UHFFFAOYSA-N	214.200	-0.161	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1C[C@H](O)[C@@H](CO)C1	1161336959	RCZJCFOAYORVRP-PSFRMBJNSA-N	240.259	-0.758	50	10	BBGE	
CCCc1[nH]ccc1C(=O)NNC(=O)CO	1472537057	TUXLUQGFIMHQDF-UHFFFAOYSA-N	225.248	-0.280	50	10	BBGE	
CC(=O)NNC(=O)/C=C\c1cn(C)cn1	1587587934	NIZFHPXCQFIVOF-ARJAWSKDSA-N	208.221	-0.399	50	10	BBGE	
CO[C@@H](C(=O)NNc1nc[nH]n1)C(C)C	1611411269	KLMDJVXLEZFMBN-ZCFIWIBFSA-N	213.241	-0.081	50	10	BBGE	
O=C(NNC(=O)c1cnn2c1CCC2)NC1CC1	1626790472	LLBXYLYVSQTDFC-UHFFFAOYSA-N	249.274	-0.064	50	10	BBGE	
Br[C@@H]1C[C@@H]1CN=c1nn[nH][nH]1	1877379623	GAXAALFAPRNGOP-QWWZWVQMSA-N	218.058	-0.183	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1S(=O)(=O)CCl	1880868137	FLNFSSLSBOVAGP-PHDIDXHHSA-N	213.686	-0.032	50	10	BBGE	
NC[C@H](NC1CC(Br)C1)C(=O)O	1880965350	WWWODHRREOEDKA-WRVKLSGPSA-N	237.097	-0.086	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](O)[C@H]1C[C@@H]1Cl	1883645906	TUTDVCVRKMJTKN-ACZMJKKPSA-N	227.713	-0.134	50	10	BBGE	
Cn1c(O)nnc1NS(=O)(=O)CCl	1883814032	AAODMASNFXMQOU-UHFFFAOYSA-N	226.645	-0.541	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2CF)CC(=O)O1	1888743131	FFJGQQWTYIBXPX-BQBZGAKWSA-N	201.197	-0.023	50	10	BBGE	
C[C@H]1CCN(CC(=O)NN)C[C@@]1(C)O	1889151139	RNGCZOBHLUXINL-IONNQARKSA-N	201.270	-0.931	50	10	BBGE	
CNCCCSC[C@H]1C[C@H]1C(=O)NN	1891104606	GQVUIAYAKXFXDR-HTQZYQBOSA-N	217.338	-0.045	50	10	BBGE	
NC1(CNC(=O)C=CC(=O)Cl)COC1	1893411054	RDRKSCDDLCCQGV-UHFFFAOYSA-N	218.640	-0.848	50	10	BBGE	
C[C@H](NC(=O)C=CC(=O)Cl)[C@@H](O)CO	1893418074	VYFTXAIWVLYKRU-WDSKDSINSA-N	221.640	-0.834	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1Cl)S(N)(=O)=O	1893470765	WKMOYRPJNOADKX-SRQIZXRXSA-N	240.712	-0.593	50	10	BBGE	
O=C(N[C@]1(CO)CCNC1)[C@H]1C[C@@H]1Cl	1893471010	YQGGUGLZBHACOW-ACLDMZEESA-N	218.684	-0.546	50	10	BBGE	
C[C@H](CN1C[C@@]2(C)C[C@@]2(CO)C1)C(=O)NN	1894664590	DWWHWQZSGPWIPW-IEBDPFPHSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)N[C@@H]1CCN(c2cnccn2)C1	1900684711	UORFABHPTZNDII-SSDOTTSWSA-N	222.252	-0.772	50	10	BBGE	
C=CCNCCC(=O)NN(C)S(=O)(=O)CC	1901377630	QVILVCHNOBCFGE-UHFFFAOYSA-N	249.336	-0.535	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](CN(C)CC(=O)NN)(C2)O1	1902629631	PNZDBZAPGMAFJF-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(O)C[C@@H]1C(F)(F)F	1903119378	NGUHCZKFEVGAKJ-FSPLSTOPSA-N	241.213	-0.779	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1CCC[C@@H](O)C1	1905583031	FKPWGEPHVBETIX-DTWKUNHWSA-N	242.084	-0.888	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2F)c(B(O)O)c1	1907456291	WRJQAODSXVJAOD-APPZFPTMSA-N	237.039	-0.029	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@@H](CC)C(=O)NN	1908899904	RSOXDCWQUDMZAU-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](Cn1c(=O)n(C)c2ccccc21)C(=O)NN	1912227776	LZVXNFRSABHEIT-QMMMGPOBSA-N	248.286	-0.034	50	10	BBGE	
N#CC1=CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1	1917059957	HRJALCZAMWPQQC-UWVGGRQHSA-N	242.300	-0.700	50	10	BBGE	
COCCNC(=O)CN1CC=C(C#N)CC1	1917060892	NSRUALYQOWWZED-UHFFFAOYSA-N	223.276	-0.095	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H](O)C1CC1	1923215485	DIDSBXMPOYIFBN-SCSAIBSYSA-N	226.154	-0.533	50	10	BBGE	
CC(C)CCN(CCO)C[C@H]1C[C@H]1C(=O)NN	1924521183	SKGNXSMAKRCWKB-GHMZBOCLSA-N	243.351	-0.047	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926418762	CXIBUYXEGSPMDP-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCc2nn[nH]c2C1	1927869230	RSQYFJXACZWLSO-ZCFIWIBFSA-N	209.253	-0.498	50	10	BBGE	
NNC(=O)COCCOC1CCOCC1	1928179871	VHVWOXHWHDZCMR-UHFFFAOYSA-N	218.253	-0.812	50	10	BBGE	
NNC(=O)c1cc(CN2CCCO2)on1	1928676554	KADNTPZHNAPMBQ-UHFFFAOYSA-N	212.209	-0.585	50	10	BBGE	
CN1C[C@H](O)[C@@H](N2C[C@@](C)(CCl)C2=O)C1	1931726050	ONZZPLNYJMWTDI-OYNCUSHFSA-N	232.711	-0.251	50	10	BBGE	
C[C@]1(CO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1932967393	MQYLHCXIRMYRNL-OYNCUSHFSA-N	213.281	-0.931	50	10	BBGE	
CCn1cc(OCC(F)(F)C(=O)NN)cn1	1935925942	NDNWRKJNCXEPQW-UHFFFAOYSA-N	234.206	-0.093	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094320	MDBYBFQXOQBXCD-JXUBOQSCSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(OC(F)F)C1	1936094414	MVEIGSGUUKTGDH-CAHLUQPWSA-N	235.234	-0.464	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](C2CC2)CC1	1936185699	JROLLYWQSCSAKA-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2COCC[C@@H]21	1936282153	CWXCWDFVZXJRGO-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941088406	QDLAJEGHFMUSHJ-HWUMTFDVSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](CO)CC2)CC1	1945891479	GSQPRNVBDYQBOY-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
COC[C@@]1(O)CCCN(CCCC(=O)NN)C1	1946461386	XGYVAZCAFPUCNN-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
NC(=O)NCCCNC(=O)OCCl	1953868082	QTHRXMLBCWOTPQ-UHFFFAOYSA-N	209.633	-0.033	50	10	BBGE	
O=C(CCl)N1CC(n2cnnc2)C1	1953986951	JLKCGZMQZOLUKC-UHFFFAOYSA-N	200.629	-0.100	50	10	BBGE	
NNC(=O)CN1CCC[C@]12CCSC2	1955254896	KQZKUNAGNRYJLG-SECBINFHSA-N	215.322	-0.052	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)CCl	1955447975	ZLRCBMIEBDTVIA-KNVOCYPGSA-N	245.728	-0.424	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)C[C@H]2CCCN12	1960159387	LPUGAGSMUBLKRP-BDAKNGLRSA-N	232.711	-0.107	50	10	BBGE	
C[C@@]1(CCl)CN(Cc2nc(=O)o[nH]2)C1=O	1961718334	NBTQNIWDOZWDOQ-MRVPVSSYSA-N	231.639	-0.050	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC12CC(CO)C2	1976886488	WMSUILPTUZDUQM-INWMGODYSA-N	227.308	-0.398	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C[C@H](O)CCl)CC[C@H]12	1978817404	YBACRUMIHZATDW-GJMOJQLCSA-N	246.694	-0.819	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@@H]2CCCCO2)C1	1981088668	LVTHENHYCNSYCB-IUCAKERBSA-N	229.280	-0.160	50	10	BBGE	
C[C@@H]1C[S@@](=O)CCN1CC(C)(C)C(=O)NN	1981192111	OZYVMRBRKIVAIV-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1C[C@@H]2O	1981216067	FPRWZDLGZBPUBN-MBXMOIHESA-N	227.308	-0.544	50	10	BBGE	
CCC1(F)CN(c2ncc(B(O)O)cn2)C1	1981409271	KYUHZUYOAGMWFP-UHFFFAOYSA-N	225.032	-0.905	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H](F)C2)n1	1981446322	WXPSFJNOLKYSHU-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
Cn1ccnc1Sc1ncccc1B(O)O	1981455018	SWLWMXJVMJKSQM-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]2C)n1	1981469687	WVROHDGKHZSFSV-LURJTMIESA-N	221.069	-0.628	50	10	BBGE	
CCCN1CCN(CC(=O)NN)C(C)(C)C1	1982416099	RKCZPRGEUJDNGZ-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NN)CC(C)(C)O1	1983879348	UVNKRQWLIRTONC-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](C(=O)NN)n1ccnc1C(F)F	1986811673	ZWACTRJNRQXZJN-YFKPBYRVSA-N	234.206	-0.002	50	10	BBGE	
CN1C(=O)CO[C@H]2CCN(C(=O)CCl)C[C@@H]21	1986843701	BKOWBQXRZLJQBY-YUMQZZPRSA-N	246.694	-0.317	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]1CN2C	1987187789	KNENCYDIMYFPKF-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CN1CCC[C@H](OC[C@H]2C[C@H]2C(=O)NN)C1	1992111131	OABSSLMMJAMHGK-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C=C(Cn1nc(CC)n(CC)c1=O)B(O)O	1992160105	RTSFSODSKMCKST-UHFFFAOYSA-N	225.057	-0.805	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)CC(=O)NNC(C)=O	1996554591	NPADIZGTXRZJOY-MRVPVSSYSA-N	245.279	-0.661	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]1c1ncon1	1997764835	JWYQMJOTQSPQGD-BWZBUEFSSA-N	237.263	-0.558	50	10	BBGE	
NNC(=O)CCCN1CC(=O)N(C2CC2)C1=O	2004005657	BFZNYALJWMRQJV-UHFFFAOYSA-N	240.263	-0.817	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCCNC1=O	2004246847	IRBUPQVOZJNECJ-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]2(CCCOC2)C1	2004305767	BZELUWQEAAQXSY-LLVKDONJSA-N	241.291	-0.605	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)[C@@H](C)C(=O)NN)o1	2004410515	ZDNDSPBZLYOIOH-RQJHMYQMSA-N	241.295	-0.176	50	10	BBGE	
CC[C@@H]1CC(=O)N(CCOCC(=O)NN)[C@H]1C	2004514363	OUHJLALQOKBXKL-DTWKUNHWSA-N	243.307	-0.360	50	10	BBGE	
CC1(C)C[C@@H](Oc2ncccc2B(O)O)CO1	2004950788	IWRADMDKQANALC-MRVPVSSYSA-N	237.064	-0.292	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(C)(C)C)n1	2005014965	UFEQZZPMAODQEU-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
CCN(CCOC)c1ncc(C)cc1B(O)O	2005018303	RHRRKZFLFRCHEN-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H](CCO)O1	2009337520	MLWUGBIJVAQQMI-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCC(=O)N(C)C1)C(=O)NN	2014819919	CFFZKIAAFPNZIQ-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COC[C@@H](C2)C1	2015197009	JZUIHDYGXLKBEH-YUMQZZPRSA-N	249.261	-0.420	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3COC[C@H]32)nc1	2052467754	UTSLNJQRMDNCKL-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
Cn1ncc2c1CN(c1ccc(B(O)O)cn1)C2	2052474405	ZWCURDUSLKSBKH-UHFFFAOYSA-N	244.063	-0.985	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CCC[C@@H]32)n1	2052620036	NTRLIFODLYPHTG-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C[C@@H]2C[C@H]2C)n1	2052620737	XMFRKIXLYKIMCI-XCBNKYQSSA-N	249.123	-0.135	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2[C@H]3CCC[C@H]32)n1	2052627940	SPKVMQBFFDSILU-JZYVYDRUSA-N	247.107	-0.300	50	10	BBGE	
CCOc1c(F)ccc(B(O)O)c1C#N	2060170780	QOUUYSVTNBIULS-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(B(O)O)c1C#N	2060205629	CQRNFGZGWFSJGB-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
COc1c(C=O)ccc(B(O)O)c1OC	2060240919	SURDLUYGOVZEMF-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
N#Cc1cc(OC(F)F)c(F)c(B(O)O)c1	2060262182	KQUOFOFPFPOYML-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
Cc1cc(C=O)cc(B(O)O)c1[N+](=O)[O-]	2060284111	XHRMYUCYYMXMJS-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccccc1B(O)O	2079007892	BGLVIYCLASJVCA-JZYVYDRUSA-N	247.103	-0.002	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210694641	IOWWGWZWCHKHIL-DJLDLDEBSA-N	233.287	-0.594	50	10	BBGE	
CC[C@H](O)CN(C)CC1(C(=O)NN)CCC1	2212264969	DPFIUWJRMUIWSE-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CS[C@@H](C)CCN=c1cc(B(O)O)cc[nH]1	2212610218	FEGHNGCZEJVEAS-QMMMGPOBSA-N	240.137	-0.263	50	10	BBGE	
CC(C)[C@@H](CN)Oc1cc(B(O)O)ccn1	2212613556	OMSJQXXWYXWEPE-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2(CCOC2)C1	2215774083	CRGRBODMFWXDIG-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
C[C@@]1(CO)C=CCN1CC1(C(=O)NN)CCC1	2216534375	NIFBKBMBWBENSV-NSHDSACASA-N	239.319	-0.231	50	10	BBGE	
CC1(C)[C@@H](O)CCN1c1ncccc1B(O)O	2217175353	HQTXEUBTBDQXRK-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
CC1(C)C[C@@H](N)CN1c1cc(B(O)O)ccn1	2217181190	NTDPJJFISKRIKT-SECBINFHSA-N	235.096	-0.923	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)Nc1ccc(B(O)O)cn1	2217185222	ZLXOKEUDEMYBLG-GZMMTYOYSA-N	238.096	-0.421	50	10	BBGE	
CN1CCC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217188007	IOWMYHJJFACBNJ-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2217201583	YVJWVQMJRAGTRY-LNRQSERFSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2223632672	MVLSOZQYPRQYBE-PUMMZQCMSA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCC23CNC3)nc1	2223639328	QTZREPRFDPDBNY-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@@H]1CCCNC1	2223645680	BKNOHDJOMBDQBQ-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
CC1=CC[C@H](CN=c2ncc(B(O)O)c[nH]2)CC1	2223669123	GDXRQSMJTFTGNZ-JTQLQIEISA-N	247.107	-0.263	50	10	BBGE	
CC1(C)CCNC[C@@H]1Nc1ccc(B(O)O)cn1	2223678284	ZOMUIYMIQAPBTG-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
O=C(NCCCCF)C1(B(O)O)CC1	2241473866	RITSOHLDHIYGHF-UHFFFAOYSA-N	203.022	-0.141	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(O)(CCO)C1	2241809692	VFUGOOTZVSVWTO-RNFRBKRXSA-N	219.668	-0.431	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2243346598	BGOCRMSLWWEBIJ-ZKCHVHJHSA-N	227.069	-0.323	50	10	BBGE	
O=C(N[C@@H]1CCCOC1)C1(B(O)O)CCC1	2243347176	ISRNBHSLDMLUKQ-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)s1	2243349355	JYHRKJLWLLJBES-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)s1	2243349553	NBKUOCUIGSQBCG-WDSKDSINSA-N	237.089	-0.434	50	10	BBGE	
CCC1CC(CCNC(=O)C#CB(O)O)C1	2243349693	PBWBDVFMGGZORC-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]1CF	2243357676	ZZKRRNDWIMTVMV-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)C2(B(O)O)CC2)C1	2243363359	FONUNZYGFQDESP-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
NCC1(NC(=O)C2(B(O)O)CCC2)CCC1	2243365779	SAMAMENBLMFZND-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C#CCNC(=O)c1sc(C)c(B(O)O)c1C	2243382541	PKKFSKVMCOXXEN-UHFFFAOYSA-N	237.089	-0.592	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)COC1	2243396778	QQKNSGARHMDDRX-YUMQZZPRSA-N	227.069	-0.608	50	10	BBGE	
Cc1cccc(CNC(=O)C#CB(O)O)n1	2243400483	BVBOOZGVYMKBOK-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(F)C1	2243408342	LKSLMSMGOMBGIL-UHFFFAOYSA-N	227.000	-0.938	50	10	BBGE	
O=C(NCCCCCO)C1(B(O)O)CCC1	2243411659	XYJSDPFALCYJIS-UHFFFAOYSA-N	229.085	-0.338	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H]1CC[C@@H]1C)B(O)O	2243412979	WYNCRQXIGAAYCS-CBAPKCEASA-N	247.125	-0.385	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)[S@](C)=O	2243413419	FYHFPRNZWNYJJV-NACUTTRXSA-N	247.125	-0.877	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](CC)C1CC1)B(O)O	2243427202	RRDVOANYLWJGOO-VIFPVBQESA-N	247.125	-0.337	50	10	BBGE	
CON(C)C(=O)Nc1cccc(B(O)O)c1	2243452667	MVMLMUOQOXOKSV-UHFFFAOYSA-N	224.025	-0.609	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2(B(O)O)CCC2)[C@@H]1C	2247733113	MKSOLUGLFXQYAR-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
O=C(Nc1cncnc1)c1ccc(B(O)O)o1	2247737928	LYCGTSQVFMKDTL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(F)cc1F	2247744328	RCFCKZDJSYLTNK-UHFFFAOYSA-N	238.986	-0.404	50	10	BBGE	
O=C(N1CC2(CC[C@H]2O)C1)C1(B(O)O)CCC1	2247751028	RTAOVNDLCAKDBZ-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
O=C(NOCCF)c1ccc(B(O)O)c(F)c1	2247752154	JSEGRJLWDWVVKA-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
C[C@H]1CCNC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247756014	KOMQCPCISPQPNL-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1C[C@H]1C	2247760363	HCLRJGXCDKNJNV-RDDDGLTNSA-N	233.076	-0.187	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NCC(C)C	2247760560	JZTKVEZTBXPRBF-UHFFFAOYSA-N	238.096	-0.426	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2C[C@H]2C)c1	2247761550	WFCJYMWIBXAGJU-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
CCC/C=C/CNC(=O)c1c[nH]nc1B(O)O	2247784201	QPSFCGRJOFHUBX-SNAWJCMRSA-N	237.068	-0.824	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787375	OHYQUNJHTGNFSG-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1c[nH]nc1B(O)O	2247799311	BSUOLYYERWZYGJ-UHFFFAOYSA-N	237.068	-0.826	50	10	BBGE	
Cc1ncnc(C)c1NC(=O)[C@H]1C[C@H]1B(O)O	2247800053	KXIFSPWBNUFJMB-JGVFFNPUSA-N	235.052	-0.105	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247800693	ROSRACZWYJLKSE-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@H](C1=O)C2(F)F	2247806947	PEEDJWNELPTAEQ-DPYQTVNSSA-N	244.990	-0.901	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247809590	ZUUIMWCFGHRAHE-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)O1	2247810653	ZAWKLOAUIVYLTM-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]2[C@H]1C2(F)F	2247851070	CLRBWWRTCVEQQD-ZKWXMUAHSA-N	243.018	-0.591	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCOC1	2247868657	WMQAESIYNGEQRN-UHFFFAOYSA-N	239.036	-0.912	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247870843	QQVCRODTLMHHJB-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1C[C@H](F)[C@@H](CO)C1)C1(B(O)O)CCC1	2247877245	DXLDXJYQOWBGML-SFYZADRCSA-N	245.059	-0.828	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247878167	LZJWVRCJJCLPGV-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1occc1B(O)O	2247879122	QYDSCGAXXRRKMM-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)O1	2247892016	RYJSHSPEMMFYOL-BQKDNTBBSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)C1CC(B(O)O)C1	2247911692	XGACAWCLWHEBOE-IRWNXEEJSA-N	239.080	-0.610	50	10	BBGE	
CC(C)C[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248576437	GFMYMTIANYPBGN-MRVPVSSYSA-N	241.052	-0.993	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2249423598	KLMYJGAGGJHBOZ-MTBHXBHISA-N	235.048	-0.512	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CC(C)C1	2255503574	MHKHSNWFLBBCNP-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
O=C(NC1CC2(CCC2)C1)c1n[nH]cc1B(O)O	2255546761	JJPYIPYUKYVLGO-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
Cc1cnc(C(=O)NC2CC=CC2)c(B(O)O)c1	2255556393	OQQMVKWVBAVLCF-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1ncc(B(O)O)cn1	2255587449	USEICCQQYHJGFZ-UHFFFAOYSA-N	249.079	-0.759	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(B(O)O)cc1C	2255688530	XESHDSHZMWHSCC-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1ccoc1B(O)O	2255717691	MMUYTLSRLCBXRD-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1ccoc1B(O)O	2255722971	WCOIZZGVJLPNJC-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1C[C@@H]2C[C@H]2C1	2255723825	JMKYLIDCFUWRTB-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1coc(B(O)O)c1	2255724359	NBCDTPALAAFESA-NXEZZACHSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@@H]2CC[C@@H]21	2255732929	CPAJVAROQVHSAT-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2258153664	VVORPYGLFUEGQB-UGYAYLCHSA-N	247.059	-0.560	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H]1[C@@H]2CO)C1(B(O)O)CCC1	2298368226	UQTXOMXZKVEXGT-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@H]21)[C@H]1C[C@H]1B(O)O	2298369337	RGEWFOLMHAAREX-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2CC[C@H]12)[C@H]1C[C@H]1B(O)O	2298369338	RGEWFOLMHAAREX-OEZYJKACSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC[C@H](F)C1	2299870363	QIJNFMILGDPWBK-HRDYMLBCSA-N	245.059	-0.564	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1C[C@H](n2cnnc2)C1	2300921945	UWJJAIISBWTSRM-IWSPIJDZSA-N	239.279	-0.233	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCOC[C@@H](O)C1	2302052571	KOKHFTPPVWSBRZ-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
O=C([C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)N1CC[C@H](B(O)O)C1	2303103536	FMDSYJBOBZIPII-OJHQEIPXSA-N	235.092	-0.036	50	10	BBGE	
CCCn1nnnc1CN1CC[C@H](B(O)O)C1	2303131986	DQODAYBEBKNLRN-QMMMGPOBSA-N	239.088	-0.868	50	10	BBGE	
CC[C@@](C)(CN1CC(N2CCC2)C1)C(=O)NN	2303425417	CFWQMWRJXUWLSY-LBPRGKRZSA-N	240.351	-0.218	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)c(F)cn1	2303848071	SUUILAIJYOMVSS-SSDOTTSWSA-N	240.043	-0.751	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccc(B(O)O)cn1	2312856970	CBHDLQIWAVZLTN-JEZHCXPESA-N	246.075	-0.710	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1C[C@H]1N	2317307249	ZHRKOHNVBSFXSX-INNHCVQGSA-N	249.075	-0.707	50	10	BBGE	
CN(CC1(O)CC1)c1ccc(B(O)O)cc1C#N	2317927251	JBCWSDNKQXVVJG-UHFFFAOYSA-N	246.075	-0.801	50	10	BBGE	
N#CC(=CNCCO)C(=O)NCc1cccnc1	2324745168	XZIKNLWVEIUSAG-UHFFFAOYSA-N	246.270	-0.313	50	10	BBGE	
COc1cccc2c(=O)ccn(CC(=O)NN)c12	40175677	GZFRABKKYSAABB-UHFFFAOYSA-N	247.254	0.000	50	10	BBGE	
NCC(=O)NNC(=O)COc1ccccc1	49819123	FMDWMBCMLZBSER-UHFFFAOYSA-N	223.232	-0.829	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CN)C1	86313464	CHMPIPOBUWVKNW-XHNCKOQMSA-N	214.313	-0.719	50	10	BBGE	
C[C@@H](Sc1nccc(=O)[nH]1)[C@H](C)C(=O)NN	86313942	ZKDGJPAVFDHOSX-NTSWFWBYSA-N	242.304	-0.124	50	10	BBGE	
Cc1ccsc1CNC(=O)C(=O)NN	87311122	IKTFIONSWSBQQK-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
O=C1OCCN1S(=O)(=O)NCCCl	95722723	ZAOWXYMVKPPJTB-UHFFFAOYSA-N	228.657	-0.488	50	10	BBGE	
Nc1ncnn1P(=O)(Cl)n1ncnc1N	196220623	XTEPHADMRGTFLI-UHFFFAOYSA-N	248.574	-0.223	50	10	BBGE	
C[C@H](O)CCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	220009974	ZTXHYNKGJNGPQU-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
O=C[C@H](O)[C@@H](O)[C@@H](Cl)[C@H](O)CCl	220580845	AAKWHPOQUIOZJR-DPYQTVNSSA-N	217.048	-0.886	50	10	BBGE	
CN(C)CCCOc1cncc(B(O)O)c1	228684620	NXHQAQMVYWUFDA-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
O=S(=O)(CBr)Nc1nnc[nH]1	232468513	UQDXACSLCZOBAI-UHFFFAOYSA-N	241.070	-0.101	50	10	BBGE	
Cc1cnn(Cc2cc(C(=O)NN)co2)c(=O)c1	235964173	NFCISAAQKMVANI-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
OCCn1ccc2ccc(B(O)O)cc21	238689432	ACKRUHGZFYXSAV-UHFFFAOYSA-N	205.022	-0.687	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)CCO1	251541499	ATDYHCLXRGMQKC-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC(C)(CO)c1ccc2c(c1B(O)O)OCO2	258312630	SXENUOSHGVHYNK-UHFFFAOYSA-N	238.048	-0.635	50	10	BBGE	
CN(N)C(=O)COCC1CCOCC1	258975759	ITGVBHZCNGRWDI-UHFFFAOYSA-N	202.254	-0.238	50	10	BBGE	
O=C(CCl)NCC(=O)NC[C@H]1CCCO1	259051506	VVKYRXROSVTGLH-SSDOTTSWSA-N	234.683	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@H]1CO	299906672	FSPFEALSQFIVPC-UTINFBMNSA-N	229.324	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](C)C1	300000138	YQOXPELPRWGLJV-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@H](C)CCC(=O)NN	300247409	UYHKQZKLGNTBKV-RKDXNWHRSA-N	244.339	-0.541	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCC(=O)N(C)C	300859233	OVOSCKUYJZLEGM-ZETCQYMHSA-N	233.337	-0.034	50	10	BBGE	
CSSCC(=O)NCCC(N)=O	308158378	PZMFXTHCRPPFAT-UHFFFAOYSA-N	208.308	-0.011	50	10	BBGE	
C=Cn1nc(-c2nccs2)cc1B(O)O	308936669	CVQJXGFWICGLPV-UHFFFAOYSA-N	221.050	-0.213	50	10	BBGE	
Cc1ccc(Cn2ncccc2=O)cc1B(O)O	314258471	VCPZTBRTTGACMO-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
NNC(=O)CCCN1CCC[S@@](=O)CC1	321841057	FFFSYFNRHSJFQW-OAHLLOKOSA-N	233.337	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C2CCC2)CC1	378708614	JRMKNDGHZOAGMB-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@@H](C)CCC(=O)NN)C1	383728252	WKNGUEVPZVRTCG-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](CO)N(C)CCCC(=O)NN	393305165	XWGNWJSIHUJLCJ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CC[C@@H](CO)N(C)[C@H](CC)C(=O)NN	393954434	UMASKSJWOBOUNU-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CC(C)(CCN1CC[C@H](N)C1)C(=O)NN	395615373	OFHZRAOHXDPUOM-QMMMGPOBSA-N	214.313	-0.574	50	10	BBGE	
O=CCCc1cc(/C=C/C(=O)O)ccc1B(O)O	396128558	AINWZMVNEUQSCD-GQCTYLIASA-N	248.043	-0.404	50	10	BBGE	
Nc1ccc2sc(C=O)c(B(O)O)c2c1	396259087	RDLWXUUXQJRUIP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1ccc2cc(B(O)O)sc2c1O	396340388	KYDDSPNWWPQKAF-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1COCCN(CCCC(=O)NN)C1	399671836	NXBXQNOBEQHTPX-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
CO[C@]1(CO)CCN([C@H](C)CCC(=O)NN)C1	402609242	OIKAOASBSJTXOK-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CCOC1	404969567	NLBJVCYUWNLIBU-QMMMGPOBSA-N	235.048	-0.659	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C1CCC1	405045169	CRBCIRCYPZWFLC-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
CC(C)NC(=O)Nc1cc(B(O)O)ccn1	405145551	MJRQBWSOWGBJCG-UHFFFAOYSA-N	223.041	-0.709	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)[C@@H]1COCCO1	493363062	YMQIMALJJRJQLY-VEMNSZJBSA-N	244.247	-0.901	50	10	BBGE	
CCc1ccc(/C=C\C(=O)NNC(=O)CO)o1	493662096	WPVKNFKKZCPXMW-WAYWQWQTSA-N	238.243	-0.005	50	10	BBGE	
CN1CCN(S(C)(=O)=O)[C@@H](CCl)C1	575459708	IEVJVOBEGXDGAW-ZETCQYMHSA-N	226.729	-0.199	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1OC	687462836	SRUMNIBTMGTFAR-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(CN)CCOC2)CC1	692090411	JPGHGCKEQRNSJU-NSHDSACASA-N	239.319	-0.298	50	10	BBGE	
CCN(CC1CN(C)C1)[C@H](C)CC(=O)NN	692721371	UYFFCWCQYJDZTN-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C(=O)N1CC(N2CCCCCC2)C1	697805959	OTSLSWSBQOSVAS-UHFFFAOYSA-N	240.307	-0.937	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)n1ccnn1	699000529	AKMFQRBCWKDFOM-VIFPVBQESA-N	217.232	-0.143	50	10	BBGE	
NC(=S)NNC(=O)CCc1ccccn1	700859623	UFPKKQMHJWZQOK-UHFFFAOYSA-N	224.289	-0.121	50	10	BBGE	
CCOC(=O)NC(=O)/C(C#N)=C/NOC	701705973	CUXVIXQTOMVXPZ-AATRIKPKSA-N	213.193	-0.182	50	10	BBGE	
CC(=O)NCCCCCC(=O)NNC(N)=S	705978730	FPZGFTMKWXNBTH-UHFFFAOYSA-N	246.336	-0.453	50	10	BBGE	
NNC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1	710474937	FQMCKOLXQRVYPG-CRCLSJGQSA-N	227.186	-0.328	50	10	BBGE	
Cc1cn(CCn2cc(C(=O)NN)nn2)c(C)n1	715075556	BWJSKRDDIOPHBA-UHFFFAOYSA-N	249.278	-0.605	50	10	BBGE	
NNC(=O)CN1CCOc2cccnc2C1	716447900	UILAONPTJSABLQ-UHFFFAOYSA-N	222.248	-0.734	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1CC(CO)C2	719154892	KVKRXMUIQLREBX-QWRGUYRKSA-N	241.335	-0.008	50	10	BBGE	
ClCC1=N[C@@H](C[n+]2cc[nH]n2)[S+]=C1	725597170	KMBRDYBUZSTNJU-SSDOTTSWSA-O	216.697	-0.399	50	10	BBGE	
CNC(=O)CC(=O)NNc1cc(C)nc(C)n1	789906947	SOTQVLICEMBLJJ-UHFFFAOYSA-N	237.263	-0.327	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)c1cn(C)nn1	807939492	QHYDLJQBJUJXJG-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
C=C(C)C[C@@H](CO)NCc1cccc(B(O)O)c1	895713328	NMRGZIBRCARIPL-ZDUSSCGKSA-N	249.119	-0.217	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)ccc1F	1623803004	GTDWBJOJGIAFQY-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1	1630972024	DZUNDSDOOJDADO-SSDOTTSWSA-N	237.263	-0.594	50	10	BBGE	
NNC(=O)CCN1C[C@@H](F)C[C@H](F)C1	1885914779	GDOIAMQNGVUNHX-BQBZGAKWSA-N	207.224	-0.252	50	10	BBGE	
C[Si]1(C)CCN(C(=O)C(=O)NN)CC1	1886388495	BGTFOECIVIBSLA-UHFFFAOYSA-N	215.329	-0.473	50	10	BBGE	
O=C(CCCl)NCCS(=O)(=O)CCO	1886761211	GUPIDABJJHGMJA-UHFFFAOYSA-N	243.712	-0.861	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(N)c1C	1887520010	YUFOJSSAVHTQCS-UHFFFAOYSA-N	209.010	-0.956	50	10	BBGE	
OB(O)c1csc(CN2CCSC2)n1	1892134156	ODOVOCCBDCKWLL-UHFFFAOYSA-N	230.123	-0.671	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)NNCCO	1892661377	FAKRHPBZGCEPQZ-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
NNc1ncnc(=NC[C@H]2C[C@@H]2Cl)[nH]1	1893109056	WUCKOWICWXECSS-UHNVWZDZSA-N	214.660	-0.382	50	10	BBGE	
N[C@H](CCNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893445876	HIRWQILNLCIUQG-NGJCXOISSA-N	220.656	-0.468	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@@H](O)C1	1893453960	RUXILGZWEIMKTN-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
O=C(O)[C@H](O)CCNC(=O)[C@H]1C[C@@H]1Cl	1893475445	UJYHVIVOSUORKX-HCWXCVPCSA-N	221.640	-0.435	50	10	BBGE	
CCn1nnc(CNC(=O)[C@@H](C)Cl)n1	1894803969	YHZXSDQIBAGRBW-RXMQYKEDSA-N	217.660	-0.064	50	10	BBGE	
CO[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	1896311587	SYRTYELZPYALLE-XSPKLOCKSA-N	225.244	-0.062	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@H]1CCO1	1901369028	WDYALTWLTVEADI-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
COCC(COC)COC[C@H](C)C(=O)NN	1901440932	ODECWVNPHRJKEN-QMMMGPOBSA-N	234.296	-0.462	50	10	BBGE	
N[C@@H]1COC[C@]1(NCC1CC(Cl)C1)C(=O)O	1904229541	KCUSBOYTTVHASR-CJXRSZHYSA-N	248.710	-0.226	50	10	BBGE	
NNC(=O)c1occc1CN1CCO[C@@H]2C[C@@H]21	1907003705	BHXOJNGISUKCPR-DTWKUNHWSA-N	237.259	-0.144	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1907072225	HPWVABPUYYAJRM-CDLYGTGVSA-N	230.076	-0.394	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)[C@@H]1C[C@@H]1F	1907456126	TUSDKISXUPMRKK-SVRRBLITSA-N	241.002	-0.198	50	10	BBGE	
CN(C)CCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1907810111	UOJPKUYPTVSDSK-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)C1=O	1912262015	NXGHOIGSBSBAIZ-ZETCQYMHSA-N	214.269	-0.630	50	10	BBGE	
CC[C@@H]1CCN([C@@H](COC)C(=O)NN)CCO1	1913637354	WLOGWTBULVTWCY-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC1(CO)CC1	1915532603	UJOQJPGDUDSRDT-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)[C@H]1CCNC1=O	1916840689	XNKDWVJBXMWCKU-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
CC(C)(C(N)=O)C(=O)NNC(=O)C(F)(F)F	1923417911	HCRXFWNWCUPLAJ-UHFFFAOYSA-N	241.169	-0.792	50	10	BBGE	
Cn1[nH]cnc1=N[C@@H]1COC[C@@H]1CCl	1930293175	KRGOOYGJHQKVAX-NKWVEPMBSA-N	216.672	-0.097	50	10	BBGE	
CC1(C)[C@H]2CN(CCOCC(=O)NN)C[C@@H]21	1936529166	JZGNDSHGJNKOAP-IUCAKERBSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CO)C(F)(F)C1	1937079902	XQZHKKOYRALEOU-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
CN(CCOCCCl)C(=O)Cn1cnnc1	1937141211	PMZUPVAQTNXJGZ-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1938362942	ZVIJMEDFNCAFGU-CBAPKCEASA-N	230.312	-0.803	50	10	BBGE	
CN1CCC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082769	INGPGTANILPKOZ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccn(C2CC2)c1=O	1941094696	ZPKQDJOQHABZKD-IONNQARKSA-N	236.275	-0.389	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@@H]2CCCC[C@H]21	1943002847	NRCSLYVPTANCIW-RKDXNWHRSA-N	241.291	-0.606	50	10	BBGE	
C[C@@]1(O)CON(Cc2ccoc2C(=O)NN)C1	1944780015	SZUMCALTJGVZMF-JTQLQIEISA-N	241.247	-0.619	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](N)[C@@H]1C	1946655051	XBWWPMAJMBSLPZ-LAEOZQHASA-N	242.323	-0.789	50	10	BBGE	
Cn1cncc1C(=O)N1CC[C@H](B(O)O)C1	1951320727	QHFCRTATXMTCES-ZETCQYMHSA-N	223.041	-0.891	50	10	BBGE	
O=C(C[C@H]1CCOC1)N1CC[C@H](B(O)O)C1	1951322252	ZNELJDXCKVCIED-BDAKNGLRSA-N	227.069	-0.512	50	10	BBGE	
CC(C)COc1nc(B(O)O)cs1	1954086819	XEHRPGBMBRHDRB-UHFFFAOYSA-N	201.056	-0.142	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(C(N)=O)C1	1954241032	ZZKKDJBFAFOKMI-RXMQYKEDSA-N	204.657	-0.053	50	10	BBGE	
CC[C@H](O)CN(CC)[C@@H](C)C(=O)NN	1955920231	AVLRVIUKIQMSOF-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1958774655	JHQVRXVBTNHUCQ-ZEBDFXRSSA-N	233.695	-0.186	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	1961392784	ZMZGLPCZNLPLPZ-UOWFLXDJSA-N	219.191	-0.864	50	10	BBGE	
Cc1cnn(C)c1COc1ccc(B(O)O)cc1	1964738526	XEPILOWFRSJKHJ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCCO1	1980591847	CXZOAXRAAZMJJH-UHFFFAOYSA-N	225.252	-0.839	50	10	BBGE	
CC(C)(CCN1CCO[C@@H]2C[C@H]21)C(=O)NN	1981143521	MBPCWIWQJXWITC-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CCO[C@H]2C1	1981242356	LWRGEJCOZYBVFI-JLIMGVALSA-N	225.292	-0.667	50	10	BBGE	
CN(CC(C)(C)F)c1ccc(B(O)O)cn1	1981408845	FYYSMQBDZPUONV-UHFFFAOYSA-N	226.060	-0.054	50	10	BBGE	
COC(=O)N(C)[C@H](C)c1nscc1B(O)O	1987160552	COFRZPCJWGPKOI-RXMQYKEDSA-N	244.081	-0.418	50	10	BBGE	
CCCN1[C@@H](C)CN(CC(=O)NN)C[C@H]1C	1987304400	KEQJPUTYEPLZFT-AOOOYVTPSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1C1(O)CC1	1987340842	OFLMMRDXFQMRAW-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
COC(=O)C1(N)CC(NC(=O)[C@@H]2C[C@@H]2Cl)C1	1991681765	DAPLGCXLQNBLDJ-PTBZLCQFSA-N	246.694	-0.237	50	10	BBGE	
C=C(CN(C)[C@@H](C)c1cnn(C)c1)B(O)O	1992152363	DLNWQCBJQHDWIG-VIFPVBQESA-N	223.085	-0.019	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@@H](F)C1	1992152452	FFPZGBAMSHMGMH-RKDXNWHRSA-N	227.044	-0.354	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C1(C)C)C(=O)NN	1993463173	BXRKBFULVHUMOA-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
Cc1nc(O[C@@H]2CC2(C)C)ncc1B(O)O	1993465420	XEXLQRBLLIBCLP-MRVPVSSYSA-N	222.053	-0.358	50	10	BBGE	
C=CCCOCCn1nc(C)c(B(O)O)c1C	2000097132	PGZZIQLUNKGTRW-UHFFFAOYSA-N	238.096	-0.228	50	10	BBGE	
CC(C)n1nnnc1CN1CC(=O)OC(=O)C1	2003508127	PGRKJFNIMUPJQA-UHFFFAOYSA-N	239.235	-0.861	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCNC(=O)[C@@H]1C(C)C	2003812116	IVQAPPUGTBUIJT-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(n2ccnc2)CC1	2004039173	FTAZNDJBBZRKJS-SECBINFHSA-N	237.307	-0.102	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2CO[C@@H](C2)C1	2008867582	OVFWUJBCLVIKAK-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@]12CCOC2	2008874469	WULCWOLMFRQLEJ-VIFPVBQESA-N	249.261	-0.134	50	10	BBGE	
CN(CCC(=O)NN)C1CC(n2cncn2)C1	2011125127	KUFRJQCQOAWVOP-UHFFFAOYSA-N	238.295	-0.707	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1COCCOC1	2014499694	CSHPYFDHDQRTEI-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCC(=O)N(C)C	2014824132	LASHEOQAZKQJOA-RKDXNWHRSA-N	244.339	-0.589	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CC[C@@H]1C[C@H](F)C2	2017214213	LLWHBEDKYXGORS-ILWJIGKKSA-N	245.298	-0.042	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ccc(B(O)O)cn3)C[C@H]12	2042944429	NHANCXVKJCJMGG-GMEUVTARSA-N	246.075	-0.254	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ncncc1B(O)O	2052467462	QWPYKCZHQKALSG-MYJAWHEDSA-N	247.107	-0.361	50	10	BBGE	
CCOc1cc(F)c(OC)cc1B(O)O	2060117266	OXSZKNPSHXFQIF-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
O=Cc1cc(Cl)cc([N+](=O)[O-])c1B(O)O	2060132988	RBOZBCMMSCIBSY-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COc1c(C=O)cc([N+](=O)[O-])cc1B(O)O	2060270577	FPIIYJMFQXPIHF-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CCc1ccc(B(O)O)c([N+](=O)[O-])c1C#N	2060278704	KCDXMVHDRPACHO-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
OB(O)c1cccc(COCCn2cccn2)c1	2064608929	AFMBZDWOKQUTLQ-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
NCc1ccc(Br)cc1B(O)O	2086861236	XLCVWNGNHYDPRV-UHFFFAOYSA-N	229.870	-0.412	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)C1(C)COC1	2086867199	NGYAJIZGUSBLAX-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
N[C@@H]1CON(C[C@H]2C[C@@H]2Br)C1=O	2209053930	GBEHYDOWBRJYBE-NGJCXOISSA-N	235.081	-0.129	50	10	BBGE	
OB(O)c1ccnc(N2CC3CC(C3)C2)c1	2212603775	RGAPMDZXLWFDTA-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CCOCCOc1nccc(B(O)O)c1F	2212605934	MAVNNEHPGNTMHP-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]1C1CC1	2212606401	SWPYRXPZHCCVRX-PSASIEDQSA-N	218.065	-0.028	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213023527	DICTTYYUIYLCIG-QHZLYTNSSA-N	241.335	-0.296	50	10	BBGE	
CC[C@@H]1COC[C@H]1Nc1ncccc1B(O)O	2217177032	DTIXCQAAULYJGF-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
OC[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217178110	RPKHPPRGOGYVNA-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
CC[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)CO1	2217182651	BSPHTCMZSXMXMA-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
N[C@@H]1CC[C@@H](COc2cc(B(O)O)ccn2)C1	2217193861	PBHJGSPKSCGFAN-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(NCC2(CF)CCC2)nc1	2217199405	MBHJOAQKMDLPDM-UHFFFAOYSA-N	239.059	-0.292	50	10	BBGE	
CCN(CC)C1CN(c2cc(B(O)O)ccn2)C1	2223628248	QFMLXDSJIOVZGA-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1nc[nH]c1CCNc1cc(B(O)O)ccn1	2223636288	ICYWHXMOQKMEMO-UHFFFAOYSA-N	246.079	-0.552	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@H]2CC[C@@H]21	2223669520	LBOVDKIGNQSFKF-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
N[C@@H]1CC[C@H](CCNc2ncccc2B(O)O)C1	2223671881	BQQKYIGMNYRJIE-NXEZZACHSA-N	249.123	-0.309	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cn(C)cn1	2223672140	DJWLSSCVISQBOD-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ccnn1C	2223673421	YAIOLAWZQICESH-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1C[C@@H]1B(O)O	2241496988	YGGSNKQIJLKRDZ-VZFHVOOUSA-N	217.461	-0.407	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)C#CB(O)O)O1	2243349147	GYDVKEJHSFQXOU-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)C1(B(O)O)CC1	2243359650	VSBOOXNAEWBWAT-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
CCN(C)C1CN(C(=O)C2(B(O)O)CC2)C1	2243365114	IBJQDLMSIOXRHS-UHFFFAOYSA-N	226.085	-0.844	50	10	BBGE	
COCC1(NC(=O)C2CC(B(O)O)C2)CC1	2243397107	VQXCJHQJZFGVPA-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
CCCN(CC(C)(C)O)C(=O)C#CB(O)O	2243401697	VTNISPDXDHXWQA-UHFFFAOYSA-N	227.069	-0.989	50	10	BBGE	
CCN(O)C(=O)c1cc(F)ccc1B(O)O	2243408046	FYVSKFDGXACQLF-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
C[C@](O)(CNC(=O)C1(B(O)O)CC1)C(F)F	2243411505	VADJTKJFBTVHPU-ZETCQYMHSA-N	237.011	-0.874	50	10	BBGE	
Cc1sc(C(=O)N2CCCO2)cc1B(O)O	2243416532	LAJGXFSBIJXMMQ-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
C=CC1CC(NS(=O)(=O)CC(=C)B(O)O)C1	2243419943	JLAOZBJNYQHDRA-UHFFFAOYSA-N	245.109	-0.561	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCCNC1	2243426324	GPZDASWSMWXJOQ-NRPADANISA-N	226.085	-0.892	50	10	BBGE	
C#CC[C@@H](C)C(=O)N[C@H]1CCC=C1B(O)O	2243713457	WMHSEUCSOMRGMP-SCZZXKLOSA-N	221.065	-0.137	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1cocc1B(O)O	2244222537	NOQVVABYHUOHKK-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
C=CCN(C[C@@H]1CC[C@@H](C(=O)NN)O1)OC	2244258585	QUCXYTALXVKQIT-IUCAKERBSA-N	229.280	-0.427	50	10	BBGE	
Cc1cocc1C(=O)NCCC#CB(O)O	2244548415	PBGXGHSSUCCUCS-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(F)(F)C2)n1	2247144014	NXRSKBRKRRUKMR-UHFFFAOYSA-N	244.006	-0.775	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)C#CB(O)O	2247740856	QJYXMFMNDSGEGO-SECBINFHSA-N	232.048	-0.856	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC2CCC1CC2	2247742313	NCJNDDHBLJQTLY-ILDUYXDCSA-N	235.092	-0.056	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H](F)[C@H](F)C1	2247755489	KAJVEBCINFIILJ-KNVOCYPGSA-N	244.990	-0.909	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247799223	AZKFPXNNSOEHKO-AEJSXWLSSA-N	238.096	-0.822	50	10	BBGE	
CN(CCCCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808703	LWNMPVYDIZOSMH-MGCOHNPYSA-N	243.112	-0.140	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)s1)C1CC1	2247852347	SLQDNZOMPIZNPO-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ccoc1B(O)O	2247866698	QPCFVEVUCLHWQG-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CCC1	2247874955	RBCRLMNANIBFJW-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC12CCN(CC1)C2)[C@H]1C[C@H]1B(O)O	2247895448	SPNIHAUAYZZKMM-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
COC(OC)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898730	HJCKKDYXNBUHSF-BWZBUEFSSA-N	245.084	-0.637	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCN[C@H]2CC[C@H]21	2247902318	FAZIIRFDOHUQGZ-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)OC(C)(C)C	2247953205	SYHAPURVHIPQMW-UHFFFAOYSA-N	240.068	-0.462	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1cccc(B(O)O)c1	2248414870	QQAGVJVTKSDGKH-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1cocc1B(O)O	2249415636	HBTQLZOCPHZENQ-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1cc(B(O)O)co1	2249419133	CTFCSFFVNRLQIQ-HTRCEHHLSA-N	241.027	-0.468	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCCN1	2249943834	KBSBWYJEQVAYEZ-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
Cc1cccc(C(=O)NN2CCCC2)c1B(O)O	2255508599	BOVVDNCELFCQTP-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255529166	FQUCRAYZHQPRHY-PWSUYJOCSA-N	248.091	-0.320	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)c1ccco1	2255551411	XECOGDIJFIBZLB-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=C(C)CN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2255674083	VYCLMCIZEOJZTP-UHFFFAOYSA-N	248.091	-0.125	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CC=CC[C@@H]21	2255680315	QAQOBVWFBAZWDD-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
O=C(Nc1cnoc1)Nc1cccc(B(O)O)c1	2255893801	VAWDEJXBYJEGEQ-UHFFFAOYSA-N	247.019	-0.002	50	10	BBGE	
C=C[C@@H]1COCCN1c1cc(B(O)O)c(C)cn1	2257597980	YRQRCHMGCJDHJR-SNVBAGLBSA-N	248.091	-0.539	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C(=O)[C@H]2CCC[C@H]21	2258152913	LOZCVEMWJUIZJV-JGVFFNPUSA-N	249.031	-0.890	50	10	BBGE	
O=C(Nc1ncco1)c1cccc(F)c1B(O)O	2263395766	QTVUDTHNQMUEEO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CNC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370362	WUCZIXQPNZSRAE-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@H](C1)C2(F)F	2298371789	VZEAKQXKILQCFJ-VGRMVHKJSA-N	245.034	-0.037	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@]2(CO)C1	2298375714	WYUNAAXAUWIIPE-FTYOSLGDSA-N	239.080	-0.920	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303110189	YEUSJJMWXQHOEY-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
CCOCCNC(=O)N1CC[C@@](C)(B(O)O)C1	2303151835	UFJKIXWNEHLPGL-SNVBAGLBSA-N	244.100	-0.329	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]12	2312848310	BUWWHPWZUJGZNT-QXFUBDJGSA-N	249.075	-0.313	50	10	BBGE	
CN(CC1(N)CC1)c1ccc(B(O)O)cc1C#N	2317162159	QKMYGPMFJRRYCG-UHFFFAOYSA-N	245.091	-0.834	50	10	BBGE	
CN[C@H]1C[C@@H](Oc2ccc(B(O)O)cc2C#N)C1	2317206324	NDYIHFWPBVRXRB-PHIMTYICSA-N	246.075	-0.633	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC(N)=O)C1CCCC1	110589136	VLFFPUWSGVQBDW-SECBINFHSA-N	242.323	-0.515	50	10	BBGE	
O=C1CN(CC[C@H]2CCCO2)CC(=O)O1	111218196	VHVCDUSCRJFVMV-MRVPVSSYSA-N	213.233	-0.059	50	10	BBGE	
CC[C@](N)(CCCCB(O)O)C(=O)O	170185243	ZLWXKAXHGXRCFQ-QMMMGPOBSA-N	203.047	-0.178	50	10	BBGE	
CC(=O)O[C@H]1NC(=O)[C@H]1Br	196524838	YHBHGWQTEGXDTR-NQXXGFSBSA-N	208.011	-0.231	50	10	BBGE	
CCC[C@@H](Sc1n[nH]c(N)n1)C(=O)NN	211755222	OSQZEDPIELMPLX-SCSAIBSYSA-N	230.297	-0.362	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(B(O)O)c([N+](=O)[O-])c1	231498101	RNIVATLVFXXXMM-UHFFFAOYSA-N	225.953	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@H]2CCOC2)O1	251522713	WZVWHQAGOGFEOM-CIUDSAMLSA-N	230.264	-0.671	50	10	BBGE	
CN1C(=O)Cc2cc(C(=O)NN)ccc21	259008154	NWIDTHBPEPURBA-UHFFFAOYSA-N	205.217	-0.191	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2[nH]cnc2c1	259079973	ZJIUPWDIYQLKEY-MRVPVSSYSA-N	205.221	-0.447	50	10	BBGE	
COC[C@@H]1CCCN([C@H](C)C(=O)NN)C1	300055960	KBKHJVNAZALROZ-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[C@@H](SCC(N)=O)C(=O)NN	300768120	CCRQLIDOMXYUDH-ZCFIWIBFSA-N	205.283	-0.781	50	10	BBGE	
OB(O)c1nccc(F)c1C(F)(F)F	307312375	RVGVKRUYKYZXIT-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CC(C)[C@H](N)[C@H](C)N1CCC[C@H]1B(O)O	308979956	RVRINQYEDJMMIP-GUBZILKMSA-N	214.118	-0.165	50	10	BBGE	
Nc1ccc([N+](=O)[O-])cc1C(=O)NNC=O	309538277	FVSMHUNAYQBECL-UHFFFAOYSA-N	224.176	-0.432	50	10	BBGE	
COC[C@@H](OCC(C)(C)OC)C(=O)NN	379300522	PFXCLECDZPVEGQ-SSDOTTSWSA-N	220.269	-0.567	50	10	BBGE	
COC[C@@H](OC[C@H](OC)C(C)C)C(=O)NN	380090161	GOGOFGHFBVBJTR-DTWKUNHWSA-N	234.296	-0.321	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1[C@H](C)CCC(=O)NN	385667621	MQXGJSGIQWPEBH-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CN1CC[C@H](N(C)CC(C)(C)C(=O)NN)C1	390257976	MTNDKLHWGYIXDK-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
COC(=O)CCc1c(C=O)cccc1B(O)O	396047262	FWELDFMHDODAEQ-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1ccc(B(O)O)c2c(C=O)csc12	396273376	LDXUVOHVGAKVBM-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1sc2cccc(B(O)O)c2c1O	396338058	IHCUCLNUPCJLCD-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCC[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	396466199	SYOYAAJCSVMGIU-QWRGUYRKSA-N	241.071	-0.334	50	10	BBGE	
C[C@H]1COCCCN1[C@H](C)CC(=O)NN	398960345	YLPMLYTUTCUEHN-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@@H](C)C(=O)NN)CO1	401509833	HVIBKMUPXNWOQK-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)s1	405005316	OTCSJXFHYHZNHR-CRCLSJGQSA-N	226.066	-0.583	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)c(F)c1	405098126	YSCPDXWHSZUCKL-UHFFFAOYSA-N	236.995	-0.313	50	10	BBGE	
CC1(C)COCN1C(=O)c1cccc(B(O)O)c1	584985327	KGYUQMRWJRNTNB-UHFFFAOYSA-N	249.075	-0.425	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@@H](C)C(=O)NN	688928679	VYLWTSYSAVFXOQ-SNVBAGLBSA-N	230.356	-0.116	50	10	BBGE	
CC(C)N(C[C@H](C)O)[C@@H](C)C(=O)NN	692171155	AVDHBWZFJCIJCG-YUMQZZPRSA-N	203.286	-0.544	50	10	BBGE	
COC[C@@H]1CCCN1C[C@H](C)C(=O)NN	702767038	NTWGWVXARIDWHB-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
OB(O)c1cccc(F)c1OC[C@H]1CCOC1	706868250	VXNLHSGNRSNAFO-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(n2cncn2)C1	707391084	IWRRLYWFCIFNAT-VIFPVBQESA-N	238.295	-0.851	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H](O)C[C@H]1C2)C(=O)NN	710476155	KJTAKUXIJITNIW-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1COCC[C@H]1O	710956220	USZIOSOHGCSMGF-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](CF)C2)O1	711448316	RLSVFQZHOAQMNG-GUBZILKMSA-N	245.298	-0.185	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)cc1OC	712346093	CUIRAKRMWUWMQJ-UHFFFAOYSA-N	225.009	-0.447	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC([C@@H](C)O)C1	719827706	NDWWBFXQJOQWNS-BIIVOSGPSA-N	215.297	-0.687	50	10	BBGE	
N#Cc1c[nH]c(C(=O)NNC(=O)c2cnn[nH]2)c1	748310840	SXHVFBBFGLIIPB-UHFFFAOYSA-N	245.202	-0.921	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cc(O)n[nH]1	854410238	VLIBYIKYAVPIGY-UHFFFAOYSA-N	214.181	-0.542	50	10	BBGE	
Cc1nnc(NNC(=O)C2(O)CCC2)n1C	856046819	RPROQFZNZLPRED-UHFFFAOYSA-N	225.252	-0.518	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C	864426912	CYNHYUDJGSAVFL-GKROBHDKSA-N	200.238	-0.033	50	10	BBGE	
Cc1n[nH]c(NC(=O)c2ccc(B(O)O)cc2)n1	1443196205	AFUCIVVYSPPWSI-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(=O)n(C)c1	1464541362	CGUBFQLNPXHGPP-UHFFFAOYSA-N	238.247	-0.699	50	10	BBGE	
CC(=O)c1ncc(C(=O)NNC(=O)CO)s1	1558957972	DYBKNPFSMHWCQS-UHFFFAOYSA-N	243.244	-0.901	50	10	BBGE	
Cn1cnc(C(=O)NN=c2cc[nH]cc2)cc1=O	1632665401	LTWCIFDCCKNGLI-UHFFFAOYSA-N	245.242	-0.646	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@@H]2C[C@H]2Br)CN1	1877388471	LMJVOPAOKWTPAF-KVQBGUIXSA-N	247.092	-0.226	50	10	BBGE	
CS(=O)(=O)NCC#CCBr	1880010339	HXKRHTFEECXKNX-UHFFFAOYSA-N	226.095	-0.066	50	10	BBGE	
COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NN	1880030611	NCBOTVTXPQLTAT-LURJTMIESA-N	249.267	-0.552	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2COC[C@H]21	1881023535	WMVQPZKQNXAJMG-NTSWFWBYSA-N	211.670	-0.157	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)CCl)C[C@H]1O	1883746797	QTFAMRCTFVAWDB-HTRCEHHLSA-N	207.657	-0.431	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CCN	1888598637	KEPOEOTUUGVWTM-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
C[C@@H](CO)N(C)CCC[C@@H]1C[C@H]1C(=O)NN	1900536018	XUWVYZXEISGKRP-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
O=C(Cc1cnsc1)N1CC[C@H](B(O)O)C1	1902521044	FEKNMGKEPHAWBF-QMMMGPOBSA-N	240.093	-0.239	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	1905787397	QMXGKPMWKHUEGR-BWBBJGPYSA-N	245.229	-0.522	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN([C@@H](C)CC(=O)NN)C1	1906326378	IOHGUPLEQUMLTN-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CCCn1ccnc1CN(C)CC(=O)NN	1913369520	QFVNTMVETIOCOK-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)C[C@@H]1F	1928692787	TUJWOXUGGPWOPJ-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCCCO1	1932337839	LEWLWAOXROIFNL-ZETCQYMHSA-N	215.253	-0.948	50	10	BBGE	
CC[C@H](OC[C@@H]1COCCO1)C(=O)NN	1933321037	TYWPTFNWLICVOD-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C)(CO)C1	1935358330	JMJYMIIWAXUSFD-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)C(F)(F)F	1938547967	PBVGRBUCCOGPHB-RITPCOANSA-N	243.229	-0.126	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](N2CCC2)C1	1941086899	KVSDJIGMSOQYOT-GMTAPVOTSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1CCOCC(=O)NN	1941784382	OMWYECIEHRLWDK-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CS(=O)(=O)c1ccccc1[C@H](N)[C@@H](O)C#N	1952820757	JWZMIAAXFQQMHH-WPRPVWTQSA-N	240.284	-0.026	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)[C@H](C)O	1954246722	IOZGQELRGDEAPM-WDSKDSINSA-N	224.351	-0.178	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNC(N)=S)CO1	1955403613	LOGPJPXQNOHTRD-RXMQYKEDSA-N	217.294	-0.334	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNC(N)=S)CO1	1955403614	LOGPJPXQNOHTRD-YFKPBYRVSA-N	217.294	-0.334	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(N)=S)C1	1956243015	SZXUUCXXIYFDGX-ZCFIWIBFSA-N	216.310	-0.219	50	10	BBGE	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NN	1956805163	PUKZRTJLGMEIPX-WDSKDSINSA-N	223.298	-0.677	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](O)CC	1959516767	JZUBXQJMEYMCDO-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CSCC1CN(c2nc(B(O)O)cs2)C1	1961718902	VOELWMGVQLMOJV-UHFFFAOYSA-N	244.150	-0.378	50	10	BBGE	
CN1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1964511269	YQCAUTSNUQHGDY-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1OCC[C@H]1F	1975257246	OKIKGNRUXCQSCA-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
COC1(CCNC(=O)C(=O)NN)CCCC1	1980422136	ICSSRBSJSHCHKY-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
CCN(CC)Cc1nn(C)cc1C(=O)NN	1980592402	HUBXEIPHQSRBPA-UHFFFAOYSA-N	225.296	-0.135	50	10	BBGE	
NNC(=O)CN1CCC([C@H]2CCCO2)CC1	1981082904	ODAROCUOGOQAFG-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CC[C@H](Oc2ncncc2B(O)O)C1	1981423978	MDOLEHCSHJSVPL-SFYZADRCSA-N	222.053	-0.276	50	10	BBGE	
CC(C)[C@H]1CCN1c1ncccc1B(O)O	1981425673	JAHSGRJSMQEJAS-SNVBAGLBSA-N	220.081	-0.004	50	10	BBGE	
CC(C)(CCN1CC(F)(CO)C1)C(=O)NN	1981512069	MKWBQVPNVWCSMX-UHFFFAOYSA-N	233.287	-0.591	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ncc(B(O)O)cc1F	1981530857	QZONRTRPAKSARN-HZGVNTEJSA-N	224.044	-0.255	50	10	BBGE	
NNC(=O)COCCN1C[C@@H](F)C[C@@H](F)C1	1985768987	FEKFOBPVIVUHAS-OCAPTIKFSA-N	237.250	-0.625	50	10	BBGE	
CC[C@@H]1COCCN1CC(=O)NNC(C)=O	1990776128	GHCWMTSBVUFABT-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
C[C@H](N)[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991647532	FLUUTZFQKPOCKB-YUMQZZPRSA-N	246.694	-0.117	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@H]2COC[C@H]12	1991649105	XIMDZHNGYFYKBK-PRJMDXOYSA-N	245.662	-0.162	50	10	BBGE	
C[C@H]1CCC[C@@H]1S(=O)(=O)NCC#CB(O)O	1992138187	DZPCDNRMPLALEY-IUCAKERBSA-N	245.109	-0.890	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(CCOCC(=O)NN)C1	2001933725	PWIBPOVJAZFJRT-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
Cc1cc(N2CCOC[C@H]2C)ncc1B(O)O	2004918601	NNDOAQGPRIXIQS-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncnc(OCCOC2CC2)c1B(O)O	2004925349	PFGHPLOXJOQXCZ-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
COCCN(CCF)c1ccncc1B(O)O	2004928065	AMKOOZJALZMULQ-UHFFFAOYSA-N	242.059	-0.816	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)c1ccncc1B(O)O	2004935003	KEYPNPUEMPPSHG-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
Cc1nn(-c2ncncc2B(O)O)c(C)c1C	2004990619	IYVGYGIZQSTMDM-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CC2(CC2)C1	2008844345	MOEPUPXTPKNXMF-UHFFFAOYSA-N	233.076	-0.282	50	10	BBGE	
CCc1ccn(-c2ncc(B(O)O)cc2F)n1	2012154406	RUNFTIUPTKLPSW-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
COCCOCCCN(C)[C@@H](C)CC(=O)NN	2013417459	JGGBJDNPACJTNJ-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
Cc1ncn(C)c1CN(C)[C@H](C)CC(=O)NN	2014918190	ACHYGIKJYAMLOT-MRVPVSSYSA-N	239.323	-0.071	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCCN(C)C	2019209809	LSURAIPNPLLBHV-UHFFFAOYSA-N	244.339	-0.573	50	10	BBGE	
C=C(CN1CCC[C@](COC)(OC)C1)B(O)O	2021165483	WPXZBFWXWRRFLW-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
CC1=CCN(C(=O)c2cccc(B(O)O)c2)C1	2022196278	JXPISLHZUOVNIX-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12CO[C@](CF)(C1)C2	2023812648	HDERDTTVBWPAQQ-MGCOHNPYSA-N	243.043	-0.811	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)CCOCC(=O)NN	2026299358	WPXYABOZNMDRQZ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1N(C)C	2052472446	LUWKYBJCRCPJIW-ONGXEEELSA-N	249.123	-0.852	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2CC2CC2)c1B(O)O	2052550874	XZSPIXDEZMHXEX-JTQLQIEISA-N	247.107	-0.156	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3COC[C@H]3C2)n1	2052551850	KIKPUSRZCMGHCR-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CCCC[C@@H]32)c1B(O)O	2052560408	XIVHMUASRAUYRK-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
CCCOc1cnn(-c2ccncc2B(O)O)c1	2052603936	SWCCBUCRQKSKSC-UHFFFAOYSA-N	247.063	-0.264	50	10	BBGE	
COc1c(B(O)O)ccc(C=O)c1Cl	2060133442	BFAAZDPMAWLZTK-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COc1c(Cl)ccc(C=O)c1B(O)O	2060137541	ZFWUKHBXGAUNTF-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COc1cc(C=O)c(B(O)O)c(OC)c1	2060236812	XORYFYHIYGXXHM-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2069485682	ZDGXGTOJNUCUQX-KPCSLPGQSA-N	249.079	-0.695	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@H]1C[C@@H](O)C1	2210106741	XYHCVKDOUWTCPP-DTORHVGOSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCCN)Oc1ncccc1B(O)O	2212603461	GKMHGJWYDHBCLG-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
COC[C@@H](CF)Nc1cc(B(O)O)ccn1	2212604391	PGFQUWRFKKTBLJ-MRVPVSSYSA-N	228.032	-0.842	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC2(F)F)c1F	2212605270	AYWBKWGOWKFBEI-YFKPBYRVSA-N	231.970	-0.280	50	10	BBGE	
OB(O)c1ccnc(Nc2cncnc2)c1	2212610518	KEWBREKGBJJFIV-UHFFFAOYSA-N	216.009	-0.705	50	10	BBGE	
OB(O)c1ccccc1OCCOCCF	2212726794	QEYGERIEKAHBQY-UHFFFAOYSA-N	228.028	-0.269	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954686	JGNMRYHIVQDRKR-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1ccnc(NC[C@H](O)C2CC2)c1F	2217179503	LLFHILXYZXMWDU-QMMMGPOBSA-N	240.043	-0.917	50	10	BBGE	
CC[C@H](N)CN(C)c1nccc(B(O)O)c1F	2217184393	SDDIWPBLWMTXTG-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
CC[C@H](C)NCCOc1ncccc1B(O)O	2217186220	HMIXKIAAPNTKBR-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
Cc1ccncc1Nc1ncc(B(O)O)cn1	2217198892	HQWCCJDNYCOQAW-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H](O)C2CC2)c1	2217203913	BXABBHJGUULNOD-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2217205222	VVEMOPBFNRHTNH-JTQLQIEISA-N	233.080	-0.443	50	10	BBGE	
OB(O)c1cccc(COCCOCCF)c1	2217426531	JBNKWSNTFJDRPN-UHFFFAOYSA-N	242.055	-0.131	50	10	BBGE	
C[C@@H](O)CN(Cc1cccc(B(O)O)c1)C1CC1	2220061650	GERDKJWLSQDJOD-SNVBAGLBSA-N	249.119	-0.288	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2223634142	GVJRGPWSFISCJT-NIQXHBPISA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNC[C@@H]1C1CC1	2223644316	HVMICSQVSFIHBF-KOLCDFICSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(N[C@@H]2CC23CC(O)C3)cc1B(O)O	2223647411	XRFNGQFVYACCBW-KRBLXSNTSA-N	248.091	-0.605	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2CC3(CC3)CO2)nc1	2223668865	CGZDVEMZERLBSH-VIFPVBQESA-N	249.079	-0.863	50	10	BBGE	
CN(Cc1cnn(C)c1)c1cc(B(O)O)ccn1	2223669132	GJFZHRKPYDSPOU-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(F)(F)C1	2243349985	UBSZQZPWPAMDRN-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)C#CB(O)O)CCO1	2243356706	LYYGHNQCOWEPTF-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
C[C@@H]1CN(C(=O)c2csc(B(O)O)c2)[C@@H]1C	2243362664	UQKFZBOAXQMNMA-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@]12CC2(F)F	2243362869	XRIBVPLMPNOFHS-HTRCEHHLSA-N	228.991	-0.837	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)C1(B(O)O)CC1	2243364552	YWCKRUOQWXQGPV-UHFFFAOYSA-N	223.041	-0.625	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243397359	ZPPLTZOCKHSXOU-XGEHTFHBSA-N	227.069	-0.610	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243401816	XEXWFJDJPGPNNB-BQBZGAKWSA-N	223.037	-0.512	50	10	BBGE	
O=C(NCC1CCC1)c1csc(B(O)O)c1	2243408197	IYVLEYOJJHFTEC-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CC(C)(C)CNC(=O)c1ncsc1B(O)O	2243408388	MFSGTGIXCPQZOY-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)oc1C	2243408459	NNLYOOHWAFSDOH-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CCCO2)C1	2243426756	LLBWGIMEJZFEFB-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
CN(C[C@H]1C(F)(F)C12CC2)C(=O)C#CB(O)O	2247739056	YKORBEMCQWVSRL-SSDOTTSWSA-N	243.018	-0.495	50	10	BBGE	
CN1CCC[C@]1(C)CNC(=O)C1(B(O)O)CC1	2247754065	DJDPFGUASMHIKJ-SNVBAGLBSA-N	240.112	-0.406	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(CCF)C1	2247755363	JKVJGHBXJOOVHC-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1C[C@@H]1B(O)O	2247791999	PSKDRNVWPJHZOF-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1NCCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247797054	FUZLREZTBYCQLR-LGUIWLBCSA-N	240.112	-0.552	50	10	BBGE	
O=C(Nc1ccccc1CO)[C@H]1C[C@H]1B(O)O	2247806139	MFOKZFBPQWDDFK-DTWKUNHWSA-N	235.048	-0.020	50	10	BBGE	
O=C1[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806842	GNJQZCNPOKTKAK-KZVJFYERSA-N	237.064	-0.223	50	10	BBGE	
CN(C1CC1)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808254	UFYKBTRKOAUHDI-NXEZZACHSA-N	238.096	-0.846	50	10	BBGE	
CN1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]2C[C@@H]21	2247809791	RKJAZZNWQRVKHR-HORUIINNSA-N	238.096	-0.846	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2247842329	SJRRJZAMQWSQAP-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CCC1(N(C)C(=O)c2coc(B(O)O)c2)CC1	2247872981	BPVFOWZGBHMMEH-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CN(C[C@H]1CCCNC1)C(=O)C1(B(O)O)CC1	2247873825	MNOJQMODDRDIMW-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
CCC[C@@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895046	NMMZCSYTCFZDOM-WCABBAIRSA-N	243.112	-0.093	50	10	BBGE	
Cc1n[nH]cc1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2248391848	ULDYHVZYMULPJR-IUCAKERBSA-N	237.068	-0.461	50	10	BBGE	
C#CCC(=O)NCc1cc(B(O)O)ccc1F	2248416298	PXNWJVVOXXCHIV-UHFFFAOYSA-N	235.023	-0.855	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248587842	VELBVKOVOSRRIQ-BIIVOSGPSA-N	243.068	-0.391	50	10	BBGE	
OB(O)c1ccccc1CO[C@@H]1C=CCOC1	2249229820	TTWRROZWWVQISY-LLVKDONJSA-N	234.060	-0.162	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249576164	OCTUNLHMRKIBMZ-MWGHHZFTSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251005539	VXJLDZRSGHIEGT-HORUIINNSA-N	241.096	-0.389	50	10	BBGE	
C#C[C@]12C[C@H](CCN1C(=O)[C@@H]1C[C@H]1B(O)O)C2	2251016398	YWGKKEPRKAUISD-BFLSOPEQSA-N	233.076	-0.136	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ncc(B(O)O)cn1	2255478813	MMAMYVDVJQEUFO-UHFFFAOYSA-N	249.079	-0.902	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)cn1CC	2255498480	RWLRSYQMMWJPJN-VIFPVBQESA-N	248.091	-0.671	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1cncc(B(O)O)c1	2255521148	SMNKGILKFKBUQX-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1cncc(B(O)O)c1	2255524567	XOXKQURNSPCESR-QMMMGPOBSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CC=CC[C@@H]21	2255679294	GCBCQACINMQQJU-KWQFWETISA-N	246.075	-0.515	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1C=CCC1	2255690288	YVKYPHDBQCODBG-JTQLQIEISA-N	248.091	-0.364	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]1C1CC1	2255718693	DLENRAWATOGXCV-SNVBAGLBSA-N	249.075	-0.108	50	10	BBGE	
Cc1cocc1CNC(=O)c1coc(B(O)O)c1	2255728272	CMFLPHWKPBXSNX-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CC1(C)CC(NC(=O)c2ncc(B(O)O)cn2)C1	2255781364	MKBIPVVZVCRKQO-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298377102	DQIQWUNKQVLYOM-AXTSPUMRSA-N	240.112	-0.375	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@]12CO)[C@@H]1C[C@@H]1B(O)O	2298377595	XLJJBYQHUFJJNT-LSQHKTNHSA-N	239.080	-0.874	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2299719860	QLYYPRKRFRCDPL-IWSPIJDZSA-N	240.112	-0.694	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@@H](C(=O)NN)C(C)C	2301395966	WACTYIAZNUVGMB-SNVBAGLBSA-N	244.339	-0.589	50	10	BBGE	
Cc1c(CO)ccc(NC(=O)C(=O)NN)c1C	2303021235	KAWHNAGUXZBBFA-UHFFFAOYSA-N	237.259	-0.276	50	10	BBGE	
C/C(C(=O)O)=C(\C)C(=O)N1CC[C@@H](B(O)O)C1	2303112886	WIHUGAVURZITFJ-NFXKFNAJSA-N	241.052	-0.517	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N[C@H]2CCOC2)C1	2303167215	LZLGVYUUBFVCNO-WPRPVWTQSA-N	242.084	-0.576	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cnc(C)o1	2303287165	JXLRWDPNVKBDEY-SECBINFHSA-N	242.279	-0.580	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2312856600	CYGVCDZAEUKEFG-MYQHRXMXSA-N	246.075	-0.825	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1C[C@@H](N)C1	2317208615	JZJMMPRNOQQJFE-DKTWLAJQSA-N	246.075	-0.646	50	10	BBGE	
O=Cc1ccc(N2C[C@@H]3COC[C@H]32)cc1B(O)O	2317350205	OXGMSOBPZLYIOO-BXKDBHETSA-N	247.059	-0.986	50	10	BBGE	
Cc1nccnc1C(=O)N1CC[C@](C)(B(O)O)C1	2319672737	VEULKPJVMVYRPW-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
N#C[C@@H]1CN(CC2(C(=O)NN)CC2)[C@H]2CCN1C2	2319957293	FSBUUAKRKUFNJC-VHSXEESVSA-N	249.318	-0.961	50	10	BBGE	
CC(C)C(=O)N1CCC(C(=O)NN)CC1	37389930	ODLAILGDIOFFMF-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(O)CC1	82465941	MHGOZCBOCDSJJJ-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCSCC2)O1	82466598	DEMFBENDMXPXNI-IUCAKERBSA-N	245.348	-0.427	50	10	BBGE	
CN1CCO[C@H](CNS(=O)(=O)CCl)C1	85791374	RGJGFJWKHQBIRE-SSDOTTSWSA-N	242.728	-0.567	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cc(C(N)=O)cn1	86313805	HJLBEPKLIOKYEO-RITPCOANSA-N	225.252	-0.831	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCOCC2)O1	110584374	BQRIXZVRAJMQLH-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](C(=O)NN)n1c(=O)cnc2ccccc21	113188696	OUQHYDBJXOIBJB-ZETCQYMHSA-N	232.243	-0.053	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NNC(=O)N(C)C)O1	151068790	UEWMMXBOIGPRPZ-NKWVEPMBSA-N	215.253	-0.144	50	10	BBGE	
CCOCC(=O)NNC(=O)CO[C@H](C)CC	153453154	FDNLNBQPEUYNOB-MRVPVSSYSA-N	232.280	-0.015	50	10	BBGE	
NCCCCNCc1ccc(B(O)O)cc1	195986080	SOQNPTMTINAFBN-UHFFFAOYSA-N	222.097	-0.805	50	10	BBGE	
COc1cc(C)c(B(O)O)c(OC)c1OC	196862452	BLNBQJHLAVPDIP-UHFFFAOYSA-N	226.037	-0.299	50	10	BBGE	
CN(C=O)Cc1ccc(F)c(B(O)O)c1	208611205	ZAEPKLKERYZSOB-UHFFFAOYSA-N	211.001	-0.906	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)[C@@H](C)CO1	216472240	BIPCGOPLWWDRNW-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CO)C1	226494551	RMHXJPJBPGSPMF-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1c(O)ccnc1Br	238614062	BMZPQBHARAOJSR-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
CCN(CCCO)[C@@H](C)[C@H](C)C(=O)NN	252911696	IEGMDZRPCACAPF-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
CC/C=C(\C)C(=O)NNC(=O)[C@@H]1COCCO1	266675092	JAFCVUTYHJLUSV-SGDMMICCSA-N	242.275	-0.095	50	10	BBGE	
C[C@@H](SCC(N)=O)[C@H](C)C(=O)NN	300803627	JMRHIRXSPXOWRP-CRCLSJGQSA-N	205.283	-0.781	50	10	BBGE	
Nc1cccc2sc(B(O)O)c(O)c12	307492270	ILDVIHKTCDJLAT-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1CCC(=O)NN	379873894	RUEJYIQNAGVKKY-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
COCC(C)(C)N(C)C[C@H](C)C(=O)NN	393744637	MAQWWYRHEPMIRE-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
O=C(O)c1ccc2sc(B(O)O)c(O)c2c1	396386754	RLBRMHWVLSJAHX-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1[C@@H](C)C(=O)NN	402771120	JFRIHQQWRSOTQR-IUCAKERBSA-N	226.324	-0.467	50	10	BBGE	
CC(C)C(=O)Nc1cccc(B(O)O)n1	404975497	AYXLLRMRDXYNPT-UHFFFAOYSA-N	208.026	-0.644	50	10	BBGE	
CCOCC(=O)NCc1ccc(B(O)O)cc1	405029568	MFUGFJIBOSDEFC-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C(=O)NN)CC1	692058513	ATZKMAIMXWNNSL-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
COC(=O)[C@@H](C)N1CCC(O)(C#N)CC1	692166529	FBQXGFUNGVGBHL-MRVPVSSYSA-N	212.249	-0.102	50	10	BBGE	
CNC(=O)C1CN([C@@H](CC(C)C)C(=O)NN)C1	695102363	QPJRUQVVNSDSCM-VIFPVBQESA-N	242.323	-0.931	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCCCCC2)C1	697757176	ZQBRVUYDXMGMCN-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
C[C@H](CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703473733	FPABEUAFZKZPFG-VGMNWLOBSA-N	227.260	-0.079	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)C[C@H]1C	706115355	ONRXRHZNKNVWST-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CCC1(O)CCN(CC(=O)NNC(C)=O)CC1	707489678	RINHQFDHDQLNRD-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCF	716686108	NOKJGUPRFLFIHR-ZETCQYMHSA-N	207.249	-0.717	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C1(O)CCC1	772521581	FJEHVRZNJUMTFL-UHFFFAOYSA-N	215.253	-0.360	50	10	BBGE	
CN(C)C(=O)C1(C(=O)NNc2ncccn2)CC1	788276915	TWFVWWVPIPALBY-UHFFFAOYSA-N	249.274	-0.212	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ncccn1	854952226	IJXJDXVTXDJPFE-JIGDXULJSA-N	248.242	-0.870	50	10	BBGE	
COCC1(C(=O)NNC(=O)CO)CCCCC1	857170715	SCXAIRJSCFQKDR-UHFFFAOYSA-N	244.291	-0.277	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@H]2C[C@@H]21	857171589	YSNGFRABBBKNCY-RNJXMRFFSA-N	212.249	-0.438	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)NNC(=O)N(C)C	931118012	BLCWEFXZXCFFTG-BQBZGAKWSA-N	231.252	-0.907	50	10	BBGE	
CC(=O)NNC(=O)[C@@]1(C#N)CCCOC1	1330275119	QHTNJTMWLCGNDH-SECBINFHSA-N	211.221	-0.526	50	10	BBGE	
Cc1cc(Cl)nc(C(=O)NNC(=O)CO)c1	1558958576	IICOCEPOZRTGRJ-UHFFFAOYSA-N	243.650	-0.203	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)NC(C)C	1627152614	IEZUNXXLRVIZED-UHFFFAOYSA-N	239.279	-0.070	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCCCCO	1638573739	HVZMNFMDCSXQRO-SECBINFHSA-N	218.297	-0.117	50	10	BBGE	
Cc1ncc(CC(=O)NNC(=O)c2cc[nH]n2)o1	1641301308	PEQPYCNMBAFICW-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CSSCCNC(=O)[C@H](O)[C@@H](C)N	1881807474	KJXFJEFASGHSGL-PHDIDXHHSA-N	224.351	-0.178	50	10	BBGE	
CN(CCN)S(=O)(=O)NC1CC(Cl)C1	1884411403	BWRIDIHJKKLVPP-UHFFFAOYSA-N	241.744	-0.519	50	10	BBGE	
O=C(O)C1(NC[C@@H]2C[C@@H]2Br)CNC1	1893005568	JBFMSSOXSMCPHC-WDSKDSINSA-N	249.108	-0.214	50	10	BBGE	
N[C@@H]1[C@H]2C[C@H]1N(C(=O)C=CC(=O)Cl)C2	1893416427	CLPSVACYIDTKMP-CCGCGBOQSA-N	214.652	-0.134	50	10	BBGE	
C=C(CN1CC[S@@](=O)[C@H](C)C1)B(O)O	1895096457	CMJMNBGGDFBUEI-XLKFXECMSA-N	217.099	-0.993	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H]1CCCN2)S(C)(=O)=O	1901339864	UXUDMXXOOIYJCA-CBAPKCEASA-N	247.320	-0.949	50	10	BBGE	
CN(NC(=O)CCc1cn[nH]c1)S(C)(=O)=O	1901360916	YSYLBOAMGCRLBJ-UHFFFAOYSA-N	246.292	-0.735	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCC12CCOCC2	1902367110	UABCZEWZDSZTSM-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](OC[C@H]1CCc2nccn21)C(=O)NN	1904711505	KLZFADLODCALNY-HTQZYQBOSA-N	224.264	-0.235	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@H](CC1=O)C2(F)F	1905573361	PTWYZZYUBAINBP-DSYKOEDSSA-N	247.245	-0.132	50	10	BBGE	
CC[S@@](C)(=O)=NCCCC(=O)NN	1913888897	SPHFQQREZZHKNT-CYBMUJFWSA-N	207.299	-0.126	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOC1CC1	1914550092	FZHINRDTDOJLFQ-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
N#CC1=CCN(C[C@@]2(O)CCNC2)CC1	1917083253	ZVFKFAUXTHSFJS-LLVKDONJSA-N	207.277	-0.134	50	10	BBGE	
COC(=O)[C@H](N)CCN1CCC(O)(C#N)CC1	1921734132	YZPSWABGTCQUFB-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C)[C@@H]1CO	1929739857	BLMJFSWAAFLHJQ-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
O=C(NNCCO)C1C[C@@H]2[C@@H](C1)C2(F)F	1929835620	VIWHLLKZUFWAQS-RNFRBKRXSA-N	220.219	-0.109	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=O)C1CCCC1	1930599177	RITSYVCAARKBSY-SSDOTTSWSA-N	215.253	-0.109	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CCS1(=O)=O	1930851860	CHULTPZFTKEMDB-RITPCOANSA-N	225.697	-0.083	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@@]1(CO)CO2	1931127212	ARMUYYHESTWRPH-HTRCEHHLSA-N	205.641	-0.413	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935935084	IFKFHOSRCFWVGC-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
COC(C)(C)CN(C)CCOCC(=O)NN	1936530344	BISIEBSZRIRJJM-UHFFFAOYSA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1938362941	ZVIJMEDFNCAFGU-APPZFPTMSA-N	230.312	-0.803	50	10	BBGE	
CC(C)CN(CCO)CC(F)(F)C(=O)NN	1939255903	KHAIKTUMDFMFAU-UHFFFAOYSA-N	239.266	-0.438	50	10	BBGE	
CN1C[C@H](O)[C@@H](N2CCC(O)(C#N)CC2)C1	1939746327	LJXSQZBXBLLEAX-UWVGGRQHSA-N	225.292	-0.988	50	10	BBGE	
CN(CCn1cccn1)C[C@@H]1C[C@@H]1C(=O)NN	1941089182	UGAPBXIIGZEAJC-UWVGGRQHSA-N	237.307	-0.559	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccn(C2CC2)c1=O	1941090414	ZPKQDJOQHABZKD-CBAPKCEASA-N	236.275	-0.389	50	10	BBGE	
OB(O)c1ccc(OCc2ccncn2)cc1	1941974633	HKAKBZRHSATNDF-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1OCCOCC(=O)NN	1947168422	IBKONSRRNLGSHX-NXEZZACHSA-N	246.307	-0.175	50	10	BBGE	
CC[C@H]1COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1948698065	YRHXREZYEBRMNQ-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
Cc1nccn1-c1nc(B(O)O)cs1	1951331984	HQAGWYSXTOXTAL-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
O=S1(=O)CC[C@@H](CN[C@H]2C[C@H]2CCl)N1	1955092003	SLXQJFCJNBSITA-FXQIFTODSA-N	238.740	-0.105	50	10	BBGE	
CSC[C@H](NC(=O)NN(C)C)C(=O)O	1955132303	MUJHRJMZODIIPU-YFKPBYRVSA-N	221.282	-0.422	50	10	BBGE	
Cn1cc([S@](C)(=O)=NC(=O)NN)cn1	1955605696	ARSMPKNGJUJWKY-AWEZNQCLSA-N	217.254	-0.540	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnco1	1959177702	KNRDENPBRQAJPA-ZETCQYMHSA-N	212.253	-0.125	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC(=O)NN)CCN1C	1961290160	FXEJPIDDKBWVPY-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)c1sncc1CSCC(N)=O	1961922673	XGDLUOKFRUMBFH-UHFFFAOYSA-N	246.317	-0.535	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)CCC(=O)NN	1974927874	WWMGAWQYCACRRR-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1CN(C)C2)C(=O)NN	1976820937	QHTRVLKKGFPPIQ-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
COCC1CC2(CCN2[C@H](C)C(=O)NN)C1	1976891636	HTQAQCRCKVKDDN-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
CN(C)C[C@@H]1CCN1CC(C)(C)C(=O)NN	1976930434	CNHUNMKUCPPCSU-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]1CN(C)C	1976934503	SPYWGHXQAFUTBC-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)C2CC2)[C@H](N=C=O)CO1	1979163045	KGDUGGPEIWTTFX-CBAPKCEASA-N	246.288	-0.139	50	10	BBGE	
CCN(C)C1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1980602131	VGLPJZSHDLVYKV-SCZZXKLOSA-N	226.324	-0.752	50	10	BBGE	
CCON(CC)c1ncc(B(O)O)c(C)n1	1981446763	CRWZGELIZLLCOM-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
NNC(=O)CCOCCCN1CCOCC1	1982842615	XBBKBEPNAAYMAN-UHFFFAOYSA-N	231.296	-0.895	50	10	BBGE	
C[C@@H](O)CCN(C)CCC(F)(F)C(=O)NN	1984130076	NUCXAKIMDPJQBM-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	1984543673	VWXYUUOVTLMLPG-BDAKNGLRSA-N	227.308	-0.542	50	10	BBGE	
CN(C)CCC1(C)CN(CCC(=O)NN)C1	1984668920	GGQHYAUKFRVILY-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cc(C(=O)NN)cs1	1985738482	ANPMPQWLZQNYMY-HZGVNTEJSA-N	241.316	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986730845	WJBXEHRISJSSKF-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2COC[C@H]21	1987063340	YYEHFBRKXMIZJP-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1CC[C@H]1CCn1cc(B(O)O)cn1	1987333085	BFAOTBKTIQFCPI-WPRPVWTQSA-N	224.069	-0.622	50	10	BBGE	
NCc1cn(CC(=O)NC[C@@H]2C[C@H]2Cl)nn1	1991444296	ZGLXHUYMNFRJPB-POYBYMJQSA-N	243.698	-0.520	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991717200	UVTIJNFUKNUUFH-TZIBCRCASA-N	247.678	-0.084	50	10	BBGE	
COCC1CC(Oc2nc(B(O)O)cs2)C1	1995356229	YAUMFVCKVMQMFN-UHFFFAOYSA-N	243.093	-0.373	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCn1cncn1	2003826597	VUOABISEPZTZHT-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
CC1(C2CC2)CN(c2ncc(B(O)O)cn2)C1	2004916949	RVGBXELLOUMKMY-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1ncc(B(O)O)cn1	2004917433	WJPFJSQBVZCLPG-IUCAKERBSA-N	233.080	-0.751	50	10	BBGE	
CO[C@@H](C)CN(C)c1cc(C)c(B(O)O)cn1	2004918470	MGRNOTNSMOKQTE-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
Cc1cc(OCCOC(C)C)ncc1B(O)O	2004929886	OUWVXJJBTHEETC-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](C(F)F)CC1=O	2006138701	IUYARQZYLPKQGK-DSYKOEDSSA-N	247.245	-0.274	50	10	BBGE	
CCO[C@]1(CN(C)[C@H](C)C(=O)NN)CCOC1	2014573307	NNMQXISRUHPILP-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2[C@@H]3COC[C@H]2C3)C1	2021407396	JSTRDTUARUWQKG-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1[C@H](C)CN1CC12CC(C(=O)NN)(CO1)C2	2023852294	FKUMFHRIEFGPCN-UWWSSPGOSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)c1cncc(Cn2ccc(=O)cc2)c1	2027474361	HYVUCDXHVGWLAH-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c1B(O)O	2053734092	CSEJYZBWZABQMF-XWLWVQCSSA-N	244.103	-0.086	50	10	BBGE	
CCOC1CN(C(=O)c2ccccc2B(O)O)C1	2079008820	NFXBGAKLMRXKOA-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
N#Cc1cnn(C[C@]23C[C@](C(=O)NN)(CO2)C3)c1	2082602150	KWBJCWLENJCNSO-XYPYZODXSA-N	247.258	-0.706	50	10	BBGE	
OB(O)c1ccc(=NCCCCCF)[nH]c1	2212600775	FVKVZTMSAIPXCF-UHFFFAOYSA-N	226.060	-0.265	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C[C@@H](F)C1)C(=O)NN	2213880483	VQBVOWMMWOJVLT-BDAKNGLRSA-N	247.314	-0.203	50	10	BBGE	
CN1CCC[C@H](COC[C@@H]2C[C@H]2C(=O)NN)C1	2214887543	XVRGOYWUVAKZIA-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
CN1CCC[C@@H]1COc1ccncc1B(O)O	2215844744	SRSUMWGFYIJSRL-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CN[C@H](C)CCOc1cc(B(O)O)c(C)cn1	2217180693	JSDTYYPSRGFKNZ-SECBINFHSA-N	238.096	-0.553	50	10	BBGE	
CC[C@@H](C)[C@@H](N)COc1cc(B(O)O)ccn1	2217192181	WQFUPEDCUCWXTO-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2OCC[C@H]21	2217199041	JQTHZQGTPJACGR-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
C[C@@]1(CO)CCCN1Cc1cccc(B(O)O)c1	2220072289	ZVZYMGXKVVFQDD-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
Cc1ncnc(OC[C@@H]2C[C@H]3C[C@@H]2C3)c1B(O)O	2222310833	HBTXMMNXICABML-AEJSXWLSSA-N	248.091	-0.110	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C(C)(C)CN1	2223626174	GXGHWEXBUREISC-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
NCC[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2223629590	VORJBEXGUVRYQR-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N[C@H]2CNCC[C@H]2C)cc1B(O)O	2223652718	KXAUZMPNHHJEIF-KCJUWKMLSA-N	249.123	-0.520	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1Nc1ccc(B(O)O)cn1	2223670113	STKVHXLWERQDNU-IUCAKERBSA-N	249.123	-0.583	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cscc1B(O)O	2243347160	IJRUPGHYZZLPNL-SSDOTTSWSA-N	235.073	-0.724	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(Cl)cn1	2243361976	KBRLKMNOZUQIHY-UHFFFAOYSA-N	238.439	-0.633	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)C1(B(O)O)CC1	2243363907	OERFZQPSAJDKFZ-MRVPVSSYSA-N	227.069	-0.464	50	10	BBGE	
C=C(C)CNC(=O)c1cc(C)c(B(O)O)o1	2243377807	HGQIEDIAMLDXCT-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
CCOCCCN(C)C(=O)C1(B(O)O)CC1	2243399093	WLCLKMLUJGZASL-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2243404741	SZXKDLGRAZOBAZ-IUCAKERBSA-N	222.053	-0.496	50	10	BBGE	
O=C(N1CCO[C@H]2C[C@@H]21)C1(B(O)O)CCC1	2243409546	KDHMMGLSODEPMP-YUMQZZPRSA-N	225.053	-0.617	50	10	BBGE	
CSC[C@H](C)NC(=O)c1coc(B(O)O)c1	2243410104	VOAZZOXDBJHKSU-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1occc1B(O)O	2243411611	XIFIFTLILFMADO-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
CC=CC(=O)Nc1nc(B(O)O)ccc1Cl	2243684906	JAWMCDUPQTZFLR-UHFFFAOYSA-N	240.455	-0.071	50	10	BBGE	
C=C=CCC(=O)Nc1ccc(B(O)O)cn1	2243685215	PLBBIDYPPZPROT-UHFFFAOYSA-N	218.021	-0.569	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cocc1B(O)O	2244218100	VPBBWZHJMXGRJO-QMMMGPOBSA-N	223.037	-0.512	50	10	BBGE	
CCCOCCC(=O)NCCC#CB(O)O	2244547948	IDKBBBVRBDXVCE-UHFFFAOYSA-N	227.069	-0.675	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1C(F)(F)F	2247741724	DXYIGHLYBWTJJI-SSDOTTSWSA-N	248.997	-0.055	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2247758833	XSPYSOKBCRDSOZ-IUCAKERBSA-N	241.096	-0.389	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)c(C)c1	2247760518	JJCFPMDFJZNMTQ-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ncccc1B(O)O	2247769444	IJNYDKIRPHZYGN-MRVPVSSYSA-N	236.080	-0.463	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247799028	ZEMKGCWYQHYOHV-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
O=C(Nc1ccccn1)c1cc(B(O)O)sn1	2247799472	DLMSVGWTCMECQM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1C(=O)C1CC(B(O)O)C1	2247799551	FIORRPJHHAVOAA-AFWXGSBKSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(CC1)CNC2	2247805459	KGIZZIDMUFXACG-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
O=C(Nc1cncc(F)n1)[C@H]1C[C@@H](B(O)O)C1	2247860550	YCKKJLSZGRUPHZ-OLQVQODUSA-N	239.015	-0.193	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@H](C)[C@H]1C	2247867395	DMSWFXFHJOMBJQ-PHDIDXHHSA-N	237.064	-0.348	50	10	BBGE	
Cc1ccc(C(=O)N[C@H](C)CF)cc1B(O)O	2247875476	ZEEFJEBGRTZLDM-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CC[C@H](C)N(C)CCNC(=O)C1(B(O)O)CC1	2247877506	HPSNVGSKJIPZLJ-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(NC1(CO)CCCCC1)C1(B(O)O)CC1	2247879540	UKGRNNYEWYUCAF-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H](C)CN(C)C	2247880344	ZJBDQMZHKZSLKO-SECBINFHSA-N	242.128	-0.208	50	10	BBGE	
CCCN(C)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247886311	ALXLAKRKEKLWIN-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)C1CC(B(O)O)C1	2247908960	CIKYGOZKXCVQJU-KZCAZGHVSA-N	238.096	-0.955	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@]23C[C@H]3N)CC1	2248161361	RAMDUNKFZCFVRL-YGOYTEALSA-N	235.287	-0.399	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cocc1B(O)O	2249422465	QHWVTEUPYWLPCE-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1coc(B(O)O)c1	2255724360	NBCDTPALAAFESA-UWVGGRQHSA-N	249.075	-0.122	50	10	BBGE	
C[C@H](NC(=O)c1nccnc1B(O)O)C1CCC1	2256062817	XDLBOSMLELHZQM-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
C[C@@H]1CCN(CCNc2ncccc2B(O)O)C1	2261462727	QBPZYASWYFHMHR-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCCC[C@H]2C[C@@H]1CO	2298232453	CDWGTWRCHKTLSX-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2298377077	CTQXPHCIINTQHT-JHFCWAQUSA-N	238.096	-0.909	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377117	FDYRURUIMKMDRU-JQCXWYLXSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@@H](B(O)O)C1	2303107288	BIYVFCWMCIUBQA-UTINFBMNSA-N	239.080	-0.371	50	10	BBGE	
CC[C@](C)(CN(C)Cc1ncno1)C(=O)NN	2303428955	NNPWHXLDDQFPMV-SNVBAGLBSA-N	241.295	-0.092	50	10	BBGE	
NCCC1(Oc2cc(B(O)O)c(F)cn2)CC1	2303858451	NKXIOZVIRIPXAM-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
C[C@H]1NC[C@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305447888	RCKNWDJYONRDBX-KCJUWKMLSA-N	239.275	-0.848	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@@H]1O	2317150197	BTWCHOQAWGKQOZ-PELKAZGASA-N	246.075	-0.945	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)ncc1B(O)O	2319213548	WWJIBJSWJOBCJZ-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
COc1ccc2c(=O)ccn(CC(=O)NN)c2c1	53994658	AFZCCEOIYBNPFD-UHFFFAOYSA-N	247.254	0.000	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)C(=O)N(C)C	84700480	GDXYXGQMFJAJHA-RXMQYKEDSA-N	228.701	-0.421	50	10	BBGE	
C[C@H](Sc1nnnn1C)[C@H](C)C(=O)NN	86313884	KVROKYMIXVLBFO-WHFBIAKZSA-N	230.297	-0.683	50	10	BBGE	
COCCN(CCOC)[C@@H](C)[C@@H](C)C(=O)NN	93072188	AMGMEKOEWJKBLT-ZJUUUORDSA-N	247.339	-0.404	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H](N)C2)c1	110591502	RJBQJHUBWVBEAK-VIFPVBQESA-N	238.291	-0.194	50	10	BBGE	
CCOC(=O)[C@H](Br)C(N)=O	144934251	FEPNZIFFIUSWRS-GSVOUGTGSA-N	210.027	-0.202	50	10	BBGE	
Cn1c(SC[C@@H](O)CCl)n[nH]c1=O	157928399	XCMSSCZTQPQFBP-BYPYZUCNSA-N	223.685	-0.200	50	10	BBGE	
COCOc1cc(B(O)O)c2c(c1C)OCO2	200116932	AFYZNJBJELFQGB-UHFFFAOYSA-N	240.020	-0.614	50	10	BBGE	
CCc1ccnc(N(C)CC)c1B(O)O	204523698	AZBCHHGXKSZDMK-UHFFFAOYSA-N	208.070	-0.220	50	10	BBGE	
COC[C@H](C)Oc1cc(F)cc(B(O)O)c1	211817273	WGPIOEFRJKNWHS-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
COC[C@H](C)OC[C@H]1CC[C@@H](C(=O)NN)O1	226383265	XTIWTFLPUBBWIZ-YIZRAAEISA-N	232.280	-0.425	50	10	BBGE	
COC1(CC(=O)NNC(N)=O)CCC1	234592030	NDACUPAOWDCCBU-UHFFFAOYSA-N	201.226	-0.355	50	10	BBGE	
CCOC(=O)c1nccc(F)c1B(O)O	238283974	CGOUVGWGUWCSTJ-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
COC(=O)[C@@H](Br)[C@H](O)CO	238328776	DLLCDHNNUJXBRM-DMTCNVIQSA-N	213.027	-0.724	50	10	BBGE	
CN1CCC(C[C@H](N)C(=O)NN(C)C)CC1	258962809	CGFRVFXKSSVYCC-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)COCc1ccc2c(c1)CC(=O)N2	259014067	OSEUIAOXVXEITQ-UHFFFAOYSA-N	235.243	-0.312	50	10	BBGE	
N#C[C@H](O)c1ccc(N2CC(=O)NCC2=O)cc1	260618152	ODQDGBHLVJHEMX-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CN(C)NC1=O	307552983	VLPXFOUVYZZKSH-WHFBIAKZSA-N	205.645	-0.925	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(C)(O)C1	307633856	RYIOFZQQHSNHEO-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1cccc(F)n1	309717261	ZHPNPRVBMNCXNJ-UHFFFAOYSA-N	227.151	-0.683	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1cc(C(=O)NN)co1	385008429	NQYAMCDNDAPXJM-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
C[C@H]1CN(C(=O)NC(=O)[C@H](C)Cl)CC(=O)N1	387020396	ORELLLYUJSOIOX-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
COCC(C)(C)N(C)C[C@@H](C)C(=O)NN	393744635	MAQWWYRHEPMIRE-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)Cn1cnc2c(c1=O)CCCC2	395602571	ZJRHIJFLNVKUKU-UHFFFAOYSA-N	222.248	-0.888	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1CO	396044005	XBNBDMWTXULMIJ-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
CC(=O)Cc1cccc([N+](=O)[O-])c1B(O)O	396057672	NMYCMGLYMRHSCH-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
O=Cc1ccc(B(O)O)c2sc(CO)cc12	396346024	YTDSGBMYKBTQKF-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
Cc1ccc(CN2CC(=O)OC(=O)C2)nn1	396654044	UWIWNQVJBOWUFV-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
C[C@H](Cl)C(=O)NCCN(C)S(C)(=O)=O	692465766	RHXYGDMQTIDVKJ-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
COC[C@H]1CCCN1CCCC(=O)NN	696548416	KDBQVRUQYDLILX-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCN1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703437096	ZWQUQABTZNCMEC-IUCAKERBSA-N	224.260	-0.393	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(n2ccnc2)C1	707388512	KWMSBRMPZSOIKI-VIFPVBQESA-N	223.280	-0.492	50	10	BBGE	
CC(C)CN1C[C@H](C(=O)N(C)N)CC1=O	707522599	KCQGGUSAGVDNNA-MRVPVSSYSA-N	213.281	-0.177	50	10	BBGE	
C[C@H]1CCN[C@@H]1C(=O)N1CCC(O)(C#N)CC1	709384202	GLYVEESYJWAVIO-UWVGGRQHSA-N	237.303	-0.139	50	10	BBGE	
CC[C@]1(O)CCCN(CCC(=O)NN)C1	710209553	KHFIGLGRBWQWQL-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
CCOC(=O)N1CCc2c(B(O)O)cccc21	712132823	NIXOIHXVAFZXSY-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)cc1OC	712395590	XJVGQPGSYCPSMM-INIZCTEOSA-N	243.093	-0.530	50	10	BBGE	
O=S(=O)(CCl)N[C@]12COC[C@H]1C2	718111187	KUWLBDPARMCBRZ-PHDIDXHHSA-N	211.670	-0.109	50	10	BBGE	
CN1N=C=C([C@@H](Cl)[C@@H]2CCS(=O)(=O)C2)N1	725449152	YXDLSVLBPWACSF-SVRRBLITSA-N	249.723	-0.053	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	843654027	YTFLHRCMTZNWGA-JGVFFNPUSA-N	244.291	-0.016	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCN1)c1ccccc1	844203214	CPIJXMMFCLDMJM-SECBINFHSA-N	219.244	-0.191	50	10	BBGE	
CN(NC(=O)COCC(F)F)C(N)=O	860517009	VLTSSNXHYHWWID-UHFFFAOYSA-N	211.168	-0.690	50	10	BBGE	
Cc1cc(NNC(=O)c2nnn(C)c2C)ncn1	1116145354	FVVWTMBHVJXEEH-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
CS(=O)(=O)C1CN(S(=O)(=O)CCl)C1	1260931454	JDJUVUDHAPGTCE-UHFFFAOYSA-N	247.725	-0.759	50	10	BBGE	
Cn1ncnc1C=NNC(=O)[C@H]1CCCO1	1261480616	USHMWEUNHDVNKW-SSDOTTSWSA-N	223.236	-0.556	50	10	BBGE	
O=C(Cc1nc[nH]n1)NN=c1cc[nH]cc1	1611414780	WKIVXFCXUSPEJQ-UHFFFAOYSA-N	218.220	-0.693	50	10	BBGE	
C[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	1629656209	KAYYYCNFKGXYGA-CZRQKWQQSA-N	234.259	-0.176	50	10	BBGE	
Cn1nnc(CC(=O)N/N=C/c2ccccc2)n1	1860774408	VPGKRDXIVMMMIU-XYOKQWHBSA-N	244.258	-0.097	50	10	BBGE	
C[C@H](Cl)CNC(=O)CC[C@H](N)C(O)O	1865959998	CLUBBHTYAGYEJF-WDSKDSINSA-N	224.688	-0.852	50	10	BBGE	
O=C(NN1CCNCC1)[C@@H]1C[C@H]1Br	1877360303	VMPWQAAFXUAOHM-RNFRBKRXSA-N	248.124	-0.294	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)C[C@H]1N	1877519644	GVFARTNCKHSSSD-WCTZXXKLSA-N	218.684	-0.202	50	10	BBGE	
CCSCCC(=O)NNC(N)=S	1880874882	QBFBKYREBCHPKY-UHFFFAOYSA-N	207.324	-0.006	50	10	BBGE	
NC[C@@H](O)CNC(=O)[C@H]1C[C@H]1Br	1881353755	MPHMASQJBVYSLS-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CCl)C[C@H]2O1	1881802086	WYVHNSNEZZBXEQ-CRCLSJGQSA-N	204.613	-0.456	50	10	BBGE	
NC1(C(=O)NC2CC(Br)C2)COC1	1882558676	KMFFDEHCQAFOAL-UHFFFAOYSA-N	249.108	-0.244	50	10	BBGE	
C[S@@](=O)(=NC(=O)F)N1CCNCC1	1882787093	ILRFNMSKSJVMIB-CYBMUJFWSA-N	209.246	-0.006	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@@H]1C[C@@H]1Br	1883531825	YCGJJGXZBYKLQG-DMTCNVIQSA-N	246.068	-0.401	50	10	BBGE	
CO[C@H]1CCN[C@@H](C(=O)NN(C)C)C1	1887235616	UKVSKCLCVLQMQH-JGVFFNPUSA-N	201.270	-0.654	50	10	BBGE	
C[C@H](CS[C@H]1CC[C@@H]1N)C(=O)NN	1887479445	SLEFSUSPYVMHCM-VQVTYTSYSA-N	203.311	-0.165	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1Cl)[C@@H]1CC(=O)NC1=O	1893119542	OZUZVDDPOUYBGE-LYFYHCNISA-N	216.668	-0.039	50	10	BBGE	
C[C@@H](CCCC(=O)NN)Sc1nnnn1C	1901770001	JEGMFBJFQSDVNN-LURJTMIESA-N	244.324	-0.149	50	10	BBGE	
CC[C@](C)(CN1CCO[C@@H]2C[C@H]21)C(=O)NN	1902715870	LOLOBVHTMGMTEW-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@](C)(CN1CCOCC1=O)C(=O)NN	1902720176	MWFAQKLBBKEAKN-JTQLQIEISA-N	229.280	-0.749	50	10	BBGE	
O=C1C[C@@H](NC(=O)[C@H]2C[C@@H]2Cl)C(=O)N1	1905558854	NBUDVUZSMMROOP-VAYJURFESA-N	216.624	-0.855	50	10	BBGE	
CN(C)C[C@H]1COC[C@@H]1NC(=O)CCl	1906111825	YADDPBXDRSMZMF-YUMQZZPRSA-N	220.700	-0.082	50	10	BBGE	
O=C(C[C@@H]1CNC[C@@H]1O)NC1CC(Cl)C1	1909250403	JHURADIMUYCVFL-KHONBHQKSA-N	232.711	-0.157	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC=C2B(O)O)O1	1910104701	UEBDBCOPYUCLFD-SZEHBUNVSA-N	239.080	-0.229	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)CC1CNC1	1914294666	KVYDYZQEACNCLS-UHFFFAOYSA-N	249.318	-0.324	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccc(B(O)O)cc2)[C@@H]1C	1914308645	KUBAKJVERFCUTI-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
COCC1CN(Cc2cc(C(=O)NN)co2)C1	1916281717	QNZWPSQIQGDDNH-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
CC1(C)C[C@H](O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1923163612	JDSGDSQYPPYJCO-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)C1CCNCC1	1923402027	RCSKXRDKEHTPKJ-UHFFFAOYSA-N	239.197	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1928000589	UMEUKQKZILYKKQ-JQCXWYLXSA-N	213.281	-0.790	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H]1CO	1929740915	NRRXEHTUQBBMDX-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)[C@@H]1CO	1929742330	WRYOKWSSTANHIT-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@]1(CCl)CN([C@H]2CCNC2=O)C1=O	1931726165	QEIPOERPUDYFDC-RCOVLWMOSA-N	216.668	-0.038	50	10	BBGE	
CC1(CNC(=O)CCl)CS(=O)(=O)C1	1932441625	WQVYVJDNOSXLPX-UHFFFAOYSA-N	225.697	-0.224	50	10	BBGE	
CN(C)CCN(CCO)C[C@@H](Cl)C#N	1934407017	OHWYHMGIWFISKS-VIFPVBQESA-N	219.716	-0.027	50	10	BBGE	
COCC(COC)OCC(F)(F)C(=O)NN	1935927017	XMECRYKGXNNUFN-UHFFFAOYSA-N	242.222	-0.710	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1936079336	FJERDAYXPBIBLI-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)COCCN1CC2CC1(CF)C2	1937482850	WMGGUUYZKNLHRT-UHFFFAOYSA-N	231.271	-0.573	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)S1(=O)=O	1938257991	GNZIIOVJQFGDDJ-ZETCQYMHSA-N	247.320	-0.820	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COC[C@H]2C1	1940890474	GEJPTIMAIZWSCF-HTQZYQBOSA-N	249.261	-0.420	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCO[C@@H]1CCOC1	1941086652	SUZMKGHGAYJYKP-IVZWLZJFSA-N	244.291	-0.566	50	10	BBGE	
COCCCOCCOC[C@@H]1C[C@H]1C(=O)NN	1941093550	QVYXBMFWZLJPAZ-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
C[C@H](CN1CC[C@@H]2OCCO[C@H]2C1)C(=O)NN	1946395820	FCKISWNYSXJTMR-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC2(CCO2)CC1	1950986993	XIZMKRBQLGGDLN-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H](COC)C(N)=O	1955570600	ZEOUKPYTOMCSBD-RITPCOANSA-N	222.672	-0.380	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CCC1	1956963071	AZOIXNWEPSULBL-UHFFFAOYSA-N	212.445	-0.375	50	10	BBGE	
CC(F)(F)COc1nc(B(O)O)cs1	1956966767	ADKOVAKLNIIRFL-UHFFFAOYSA-N	223.009	-0.143	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2C[C@]2(O)C1	1961406523	LPICZJIZANBUQN-WEDXCCLWSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)c1nc(CSC2CNC2)ns1	1975116581	VLJCUZNBNAQHJV-UHFFFAOYSA-N	245.333	-0.653	50	10	BBGE	
COCCO[C@@H]1CCCN(CC(=O)NN)C1	1976105032	ZJUGGJJTRNVHBI-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
O=C1N[C@H]2CN(CCCCCl)C[C@@H]2NC1=O	1979508167	QYTZDXGRASOHFO-YUMQZZPRSA-N	245.710	-0.696	50	10	BBGE	
Cc1cnn(C2CN(CCC(=O)NN)C2)c1	1980791394	QEBOPFIFBXKPGC-UHFFFAOYSA-N	223.280	-0.572	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C(CO)CC1	1980962216	UUAFBOUWJFNTQV-SNVBAGLBSA-N	227.308	-0.375	50	10	BBGE	
CCC1(C)CC(=O)N(CC(=O)NN)C(=O)C1	1981047440	LPHILEPYMQINFO-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
CC(C)(CN1CCO[C@@H](CF)C1)C(=O)NN	1981247469	GOXZRELOVVATMZ-QMMMGPOBSA-N	233.287	-0.327	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2OCC[C@@H]2C1=O	1981251617	HWKUFPXHDNIAQA-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
CS[C@@H]1CCN(c2ccncc2B(O)O)C1	1981425591	IDLRZBZMGDGNCO-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@H]1F	1982806534	WZIQIIYBJNMRGY-NKWVEPMBSA-N	224.000	-0.942	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCOC[C@H]2C1	1986813694	ADCJKUPNZNQGRP-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(CCCC(=O)NN)C1	1988723166	NNRSOPJWPHSYGX-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
C=CC1(O)CCN(C[C@H](C)C(=O)NN)CC1	1990546532	ZBMINDQMYJNXES-VIFPVBQESA-N	227.308	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC=C[C@H]1C2	1990777274	XRIPXNNQSIQBTD-UWVGGRQHSA-N	223.276	-0.196	50	10	BBGE	
O=C(NCC=CB(O)O)c1cncc(F)c1	1991332300	ANBMHMDJZKZKKX-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
C=C(CN(C)Cc1cncnc1C)B(O)O	1992145240	JOMVPTLIDFGOBI-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)c1ccc(B(O)O)cn1	2004917232	WACBCVBGDAILBO-NXEZZACHSA-N	236.080	-0.625	50	10	BBGE	
C[C@H]1N(c2ccncc2B(O)O)CCC1(F)F	2004917982	YWGSYCONURIMHK-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCCCO2)n1	2004970670	GEYCCAVWYAPHIX-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
CCCc1nccn1-c1ncccc1B(O)O	2005008388	XEXAAGOWFONJLR-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H](CF)C1	2005015042	VFVDKQNHSIFLGA-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
CC1(O)CC2(CN(CC(F)(F)C(=O)NN)C2)C1	2011899681	FRGFUGSUWCHVLU-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
C[C@@H](O)C[C@H]1COCCN1CCCC(=O)NN	2013007718	ZLALGMWIDZWFEF-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2nncc2C1	2013642435	HVAJCCDVEVWVCP-VIFPVBQESA-N	238.295	-0.892	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@]1(C)O	2017233420	FXMLGGOCAFYHFE-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
CCCCN(C(=O)C(=O)NN)[C@@H]1CCCOC1	2020541892	SIUMGJSVRQGPJR-SECBINFHSA-N	243.307	-0.216	50	10	BBGE	
NNC(=O)C12COC(Cn3cc(F)cn3)(C1)C2	2023845357	IJMKUSAIMYMWBL-UHFFFAOYSA-N	240.238	-0.439	50	10	BBGE	
CN1CC(N(C)Cc2cccc(C(=O)NN)n2)C1	2028805800	RMCIKHMSHBBXOT-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
CCc1nc(CC)n(-c2ccncc2B(O)O)n1	2052599462	HRUDWWKSZURXMY-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C[C@@H]2C[C@@H]2C)n1	2052620738	XMFRKIXLYKIMCI-XVKPBYJWSA-N	249.123	-0.135	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@]3(C)C2)n1	2052624105	PKJONVKZSGXNSD-BXKDBHETSA-N	247.107	-0.381	50	10	BBGE	
CC[C@H]1C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2055735369	BPXWQBRQULUFJC-JGVFFNPUSA-N	246.079	-0.448	50	10	BBGE	
NNC(=O)C1(CS[C@@H]2CCNC2)CC1	2210075494	JPOJILJCOXZLKW-SSDOTTSWSA-N	215.322	-0.148	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2211839591	WTKMDQAGRSQDGM-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2212603252	DXNYAUNZAOCNAF-BDAKNGLRSA-N	220.081	-0.359	50	10	BBGE	
NCCCCCOc1ccc(B(O)O)cn1	2212604236	NLCJHXWBIPRIFW-UHFFFAOYSA-N	224.069	-0.731	50	10	BBGE	
Cc1cnc(N(C)CCCF)cc1B(O)O	2212605712	JCOZRPHTFIOHBW-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](CO)CC1CC1	2213794737	JURKXJWPTIIHLM-JTQLQIEISA-N	243.307	-0.754	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Cn1nc(C)c(B(O)O)c1C	2215113448	MFYPIMUYLKALLG-NXEZZACHSA-N	238.096	-0.395	50	10	BBGE	
CN1CC[C@@H](COC[C@@H]2CC[C@H]2C(=O)NN)C1	2215773573	BRDOBVWJSCOQGM-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
CC[C@](C)(COC)Nc1cc(B(O)O)ccn1	2217175645	LNOPVSGAILVXOT-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
Cc1cnc(N[C@]23COC[C@H]2C3)cc1B(O)O	2217181334	ONKZQZHFHJKDBV-LDYMZIIASA-N	234.064	-0.729	50	10	BBGE	
Cc1conc1CNc1ccc(B(O)O)cn1	2217182056	YKCAWOJLVVETKK-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccc(NC2(C(F)F)COC2)nc1	2217183063	IVBASLUCLDYQQA-UHFFFAOYSA-N	244.006	-0.793	50	10	BBGE	
CC(C)[C@@](C)(O)CNc1ccc(B(O)O)cn1	2217183348	HQQBMKOHIUWKPE-NSHDSACASA-N	238.096	-0.420	50	10	BBGE	
CCC[C@](C)(N)COc1ncccc1B(O)O	2217186648	MWRMACFTMGRMQM-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCOC[C@H]2F)c1	2217194358	VCLZJDXZOJCHDA-RKDXNWHRSA-N	241.027	-0.733	50	10	BBGE	
CN(Cc1cnco1)c1cc(B(O)O)ccn1	2217198192	XYIVSMZEZLZYEA-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)[C@H]1CO	2220069832	QMMJPMRFMJXQHS-LBPRGKRZSA-N	249.119	-0.431	50	10	BBGE	
CC1(C)CCNC[C@H]1Nc1ncccc1B(O)O	2223638317	VVQZEESIOXOBSD-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](Nc1ncc(B(O)O)cn1)C2	2223643318	UPFZQHBGAZDZNX-ATZCPNFKSA-N	249.079	-0.864	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@@H]3COC[C@@H]32)cc1B(O)O	2223648240	JAEBKNVHUCJKRB-ILWJIGKKSA-N	248.091	-0.626	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(B(O)O)cn1	2223661746	QWLNMCVZYHOMKB-GISOBZBCSA-N	248.091	-0.734	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2223668184	VLLQTEKAAMHFND-WDEREUQCSA-N	249.123	-0.344	50	10	BBGE	
N[C@H]1CCN(c2ccc(B(O)O)cn2)C2(CC2)C1	2223679882	VRVUOBNDCBOMQV-JTQLQIEISA-N	247.107	-0.779	50	10	BBGE	
C[C@@H](c1cscc1B(O)O)N(C)C#N	2241555639	OBIMKPIGODWNTD-LURJTMIESA-N	210.067	-0.098	50	10	BBGE	
O=C(NCC1[C@@H]2COC[C@@H]12)C1(B(O)O)CC1	2243359089	OPNJDQBFKXVZMT-YUMQZZPRSA-N	225.053	-0.998	50	10	BBGE	
Cc1cc(C(=O)N2CCCN2)c(B(O)O)s1	2243378717	YAWIUIYBYUZVMF-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397165	WTNSKTKGCDWTPO-VGMNWLOBSA-N	227.069	-0.443	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)cs1	2243399331	YZXOMVCBHNQORM-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
CNC[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414763	HTVZVKLTAWIQME-IWSPIJDZSA-N	228.101	-0.789	50	10	BBGE	
C=C=CCC(=O)NCc1cnc(B(O)O)s1	2243685886	DDSOALGEJPVCGL-UHFFFAOYSA-N	238.077	-0.830	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1CSC1	2244211999	LCBBZYZVMHYWEF-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1cocc1B(O)O	2244217116	NUIMEDYZJCNCDQ-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
C[C@H]1NC[C@@H]1Oc1cc(B(O)O)c(Cl)cn1	2245912944	JUZQJIFCRPAYAT-XRGYYRRGSA-N	242.471	-0.846	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cscc2B(O)O)C1	2247721999	JTXSKNCABLUULC-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ccc(B(O)O)o1	2247738873	VOVHIVIRFDTZSC-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
CN(C)c1ccc(NC(=O)C#CB(O)O)cc1	2247741348	YGRHJZIBXLRGPQ-UHFFFAOYSA-N	232.048	-0.294	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@H]1C(F)(F)F	2247744296	QSTXKEPGSFGMTQ-NKWVEPMBSA-N	248.997	-0.294	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(B(O)O)o1	2247748013	WJIOMLAAKLBCEF-RNFRBKRXSA-N	241.027	-0.468	50	10	BBGE	
CC#CCNC(=O)c1cccc(C)c1B(O)O	2247751929	FOSOWRKBZHAPLB-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@]12CCOC2	2247787001	JSJQHLQPKIRQAA-NGZCFLSTSA-N	239.080	-0.369	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247787453	PIFDVPWDGFELGU-KZVJFYERSA-N	245.059	-0.517	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N(O)C1CCOCC1	2247791483	NLMSNCAFEMRIKS-OCAPTIKFSA-N	243.068	-0.364	50	10	BBGE	
O=C(NC12CCN(CC1)C2)[C@H]1C[C@H](B(O)O)C1	2247796765	CQWHIDHTSVPDDI-KYZUINATSA-N	238.096	-0.796	50	10	BBGE	
CN(c1ccncn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798448	UGYUDTQKMUGIHM-ZKCHVHJHSA-N	235.052	-0.308	50	10	BBGE	
CO[C@H]1C=CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247804027	DTGWCUIQQSFTNN-GUBZILKMSA-N	239.080	-0.347	50	10	BBGE	
CNCC(C)(C)CNC(=O)C1CC(B(O)O)C1	2247805629	BWFJJEJDPHRDMS-UHFFFAOYSA-N	242.128	-0.399	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247806052	CZKKXJYYNBIUOR-KXUCPTDWSA-N	241.096	-0.125	50	10	BBGE	
NC[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808358	KWYYUNHVNUAXMV-AEJSXWLSSA-N	240.112	-0.563	50	10	BBGE	
C[C@]1(O)CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810143	VDUQOZGYSDSSDO-DKIAZLNASA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@H]1CCNC[C@H]1F)C1CC(B(O)O)C1	2247810295	WBTSXMPBRZTIBU-YNTFGVKOSA-N	244.075	-0.944	50	10	BBGE	
CC(C)(NC(=O)c1ccoc1B(O)O)C(F)F	2247866382	LGJNJIISURNCTL-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)cc1F	2247867291	CGKUIRJGRXKNRO-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CCN(CC)C[C@@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247887599	PPRQACDOHYSSLF-KXUCPTDWSA-N	242.128	-0.304	50	10	BBGE	
CN(C[C@]1(C)CCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247893932	AMRXNGUFMPMVCA-QXEWZRGKSA-N	241.096	-0.266	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895613	UMMRFWYTWDAZOG-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CC(CO)C2)C1	2247897820	XFDIIPFOGQZNRC-DTWKUNHWSA-N	239.080	-0.920	50	10	BBGE	
CCCc1nc(C(=O)NCC=CB(O)O)n[nH]1	2248397715	NHMFDTVRTLPGBZ-UHFFFAOYSA-N	238.056	-0.945	50	10	BBGE	
O=C(NCCc1ccccc1B(O)O)C(F)F	2248415328	YRSIVSKKAQNUNB-UHFFFAOYSA-N	243.018	-0.710	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2248587977	XJNHPXKRKOJAMP-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2249416534	TUIMNRCPJUQSLW-GMSGAONNSA-N	237.064	-0.266	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)n1	2254709290	QTEXFGSPQGFLSB-BRPSZJMVSA-N	249.075	-0.053	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](c2ncc[nH]2)C1	2255467781	RKVVXMOKMWLKRO-SECBINFHSA-N	247.063	-0.869	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc2c1OCO2	2255468407	AGCPMIDLKROQBA-UHFFFAOYSA-N	247.015	-0.953	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CC[C@H]2C1	2255472512	GCNZNYJWGOINMY-BDAKNGLRSA-N	248.091	-0.433	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]2CC[C@H]21	2255472733	HJVWTVPHTKBASS-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
C#CC#CCNC(=O)c1cccc(B(O)O)c1C	2255511869	QICXKLYPZWYKQS-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1c(C)cccc1B(O)O	2255513607	URGSBBSJBMXIGM-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2CC[C@H]1C2	2255522591	LSYNGMSIYABEMA-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C1CC=CC1	2255523808	UHGDBYONVNWHGS-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)nn1	2255562853	AFFHOUCSMJIKBW-ZJUUUORDSA-N	249.079	-0.394	50	10	BBGE	
Cn1ccc2c1CN(C(=O)[C@@H]1C[C@H]1B(O)O)CC2	2255581433	BHBJQHOAOBZCOB-NXEZZACHSA-N	248.091	-0.227	50	10	BBGE	
Cc1ccc(C(=O)NC2[C@@H]3CC[C@@H]23)c(B(O)O)c1	2255692735	WKJMGFJCNBFTAS-RKDXNWHRSA-N	245.087	-0.187	50	10	BBGE	
CCCC1CN(C(=O)c2ncncc2B(O)O)C1	2255714368	PEPIJOBLEJJHBN-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]1CC1CC1	2255731379	FIFUHEWBWKVQBS-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
C#CCC1(C(=O)Nc2ccc(B(O)O)cn2)CC1	2256595906	RCOSESXXOZCGHP-UHFFFAOYSA-N	244.059	-0.497	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1cccc(B(O)O)n1	2256596259	WBIQMRCWLUQRPG-UHFFFAOYSA-N	246.075	-0.251	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374771	LVMMLVPGMXAOBN-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CCN2CC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2298375399	IIEPBFBCGTUPAY-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCc2cccnc21	2300576550	XXBNGSRCRODXQH-VIFPVBQESA-N	230.032	-0.800	50	10	BBGE	
C#CC1CCC(C(=O)NCC#CB(O)O)CC1	2300973476	GMTKUKGSRVHVJN-UHFFFAOYSA-N	233.076	-0.442	50	10	BBGE	
CC(C)=C(CN(C)CCn1cnnc1)B(O)O	2301849134	RXLMQQBYGOZTRN-UHFFFAOYSA-N	238.100	-0.442	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)C1CC(B(O)O)C1	2302517071	TYMGXMGBRHTUNS-UDNWOFFPSA-N	243.112	-0.285	50	10	BBGE	
CCC#CC(=O)Nc1ccc(B(O)O)cc1F	2302831999	ZQLWFYAWQZZDAY-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
O=C(c1ccc(F)nc1)N1CC[C@@H](B(O)O)C1	2303112679	AGCWJRIONAKCIX-MRVPVSSYSA-N	238.027	-0.090	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1cc(B(O)O)n[nH]1	2312849746	RBCLGTWIVBLGOV-CSMHCCOUSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2313081245	HLBALSONWCXULB-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
O=Cc1ccc(N[C@]23COC[C@@H]2C3)cc1B(O)O	2317348646	QCZISVZGTYOFEM-JOYOIKCWSA-N	247.059	-0.620	50	10	BBGE	
C=CCNCCOc1ccc(C=O)c(B(O)O)c1	2317349725	IAEWZMPQIIOXGC-UHFFFAOYSA-N	249.075	-0.667	50	10	BBGE	
CN1CCC(C(=O)NNC(N)=S)CC1	39109798	FRRBFDTWIDJHNP-UHFFFAOYSA-N	216.310	-0.807	50	10	BBGE	
NNC(=O)c1cnc(N)nc1C(F)(F)F	44672106	VCGZWJBZWQQSLG-UHFFFAOYSA-N	221.142	-0.319	50	10	BBGE	
CCCN(CCO)C(=O)CCCC(=O)NN	58845292	WLLKGRIFAHHWHS-UHFFFAOYSA-N	231.296	-0.623	50	10	BBGE	
Cn1nc(-c2ccccn2)cc(C(=O)NN)c1=O	82454407	RFSGYHJUYWMIHW-UHFFFAOYSA-N	245.242	-0.554	50	10	BBGE	
NNC(=O)CCCN1CCCOCC1	82469348	JADXTLBIGTUSAS-UHFFFAOYSA-N	201.270	-0.521	50	10	BBGE	
COc1c(/C=N/NC(N)=O)c(C)nn1C	134261834	XDVAOUYIROVVHI-ONNFQVAWSA-N	211.225	-0.261	50	10	BBGE	
CC1(C)O[C@@H]2[C@@H]([C@H](O)Cl)OC(=O)[C@@H]2O1	231546521	BMFFBRCBPHEFNE-MOJAZDJTSA-N	222.624	-0.011	50	10	BBGE	
C[C@H]1C[C@H](N2CC(=O)OC(=O)C2)CCO1	235697824	HRFITZUCMXFVTC-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC(=O)O	238422258	GLMKEWWFJFIQNH-GSVOUGTGSA-N	208.601	-0.476	50	10	BBGE	
C[Si]1(OCCN)OCCNCCO1	238461796	CRBSODUYAZYSNS-UHFFFAOYSA-N	206.318	-0.833	50	10	BBGE	
O=CO[C@H](CCl)[C@@H](Cl)C(O)O	238695340	ITSPVSHANOEWOB-QWWZWVQMSA-N	203.021	-0.315	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	251761627	UFGQXKRXXUYCKW-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)N(CCO)[C@H](C)[C@H](C)C(=O)NN	252597335	IZCQZLMMQHQVDZ-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
Nc1cc(-c2ccc3c(c2B(O)O)OCO3)[nH]n1	258414810	VTZGPKLGTSOGPV-UHFFFAOYSA-N	247.019	-0.933	50	10	BBGE	
C[C@H](SCC(=O)NC1CC1)C(=O)NN	300921301	YTCSESQPRGAXAK-YFKPBYRVSA-N	217.294	-0.623	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CCOCCO	304196355	BJZGRMNCBLYIJN-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1[C@H](C)CC(=O)NN	304549013	LZSOGHMZUXDGBE-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
COC(=O)[C@H]1[C@H]2[C@@H](O)[C@@H]([C@@H]3O[C@@H]32)[C@H]1Cl	306345982	PAMNUHRAKMHCDW-DKYQDASRSA-N	218.636	-0.229	50	10	BBGE	
NNc1c(B(O)O)cccc1C(F)F	307288576	CPJOTZRJJVBTLN-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
NC(=O)NN=C(C(=O)O)c1ccncc1	308675902	OTZUWQKMULBYGE-UHFFFAOYSA-N	208.177	-0.461	50	10	BBGE	
C[C@]1(C(=O)NN)CCCN1C(=O)C1CC1	308871662	MYDBJOVXVIDXQY-SNVBAGLBSA-N	211.265	-0.233	50	10	BBGE	
OB(O)c1ccc(F)cc1[C@@H]1CCCNC1	381017526	VEAURTOYBKWPLX-MRVPVSSYSA-N	223.056	-0.028	50	10	BBGE	
COC(=O)c1cc2c(B(O)O)ccnc2s1	381391530	NNDUNFLVMWOVJW-UHFFFAOYSA-N	237.045	-0.237	50	10	BBGE	
CCC(=NNC(N)=O)C(C)=NNC(N)=O	383841675	AUDMMHFKJGYBGN-UHFFFAOYSA-N	214.229	-0.535	50	10	BBGE	
CC(C)C(=O)NCCNC(=O)NC(=O)CCl	393094428	VAWLAPRAIVHQBQ-UHFFFAOYSA-N	249.698	-0.177	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)Cc2ccccc2B(O)O)CO1	401466268	MAWFPUUEXQILKA-ZYHUDNBSSA-N	249.119	-0.024	50	10	BBGE	
Cc1cc(C(=O)Nc2cc(B(O)O)ccn2)co1	404986671	WBTZIXXZXPQYLD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)N(CC(C)(C)O)[C@H](C)C(=O)NN	689907920	ZBRADAZXTQTGKG-MRVPVSSYSA-N	217.313	-0.154	50	10	BBGE	
Cc1ncccc1Cn1nc(C)c(B(O)O)c1C	694277986	XMCCEMAUAKMUIJ-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccnn1	700691237	DRQVJRLDBKBMOE-ZETCQYMHSA-N	209.253	-0.713	50	10	BBGE	
CN1CC[C@](O)(CNC(=O)OCCl)C1	702548135	GKUUHOPVYXTRGJ-QMMMGPOBSA-N	222.672	-0.025	50	10	BBGE	
CN1C[C@H]2[C@@H]3CC[C@@H](CN3CC(=O)NN)[C@H]2C1	707930761	JYQVLWRVTHWKGC-ZDCRXTMVSA-N	238.335	-0.752	50	10	BBGE	
CN(CCCO)Cc1cnc(C(=O)NN)s1	711158389	VLBHDBSMPYTXHU-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
NCCSCc1cnc(C(=O)NN)s1	711348086	OJMIFYJRSRSMOB-UHFFFAOYSA-N	232.334	-0.062	50	10	BBGE	
CC1(C)C[C@H]1C(=O)NNC(=O)[C@@H]1COCCO1	752033056	IUCQLUFLDPEUSO-YUMQZZPRSA-N	242.275	-0.405	50	10	BBGE	
CCCc1occc1C(=O)NNC(=O)CO	799102708	NPSZESOKGGGSIR-UHFFFAOYSA-N	226.232	-0.015	50	10	BBGE	
O=C(C[C@H]1CCCO1)NNc1nc[nH]n1	846652422	AJJYSNPBLBEJHT-ZCFIWIBFSA-N	211.225	-0.183	50	10	BBGE	
CCNC(=O)NNC(=O)CN1CC[C@H](C)C1	847391407	YANNTDYVLMEJOM-QMMMGPOBSA-N	228.296	-0.322	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](OC)[C@H]1CCOC1	854408874	BNAMPJAEQLEWHN-YUMQZZPRSA-N	246.263	-0.233	50	10	BBGE	
Cc1cccc(NNC(=O)[C@@H]2COC(=O)N2)n1	862518360	QMTUVIMMFJMGPY-ZETCQYMHSA-N	236.231	-0.058	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1ccccn1	1135619511	XUURXDYTLFZAPG-OSOUNJMWSA-N	235.243	-0.220	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1	1312935296	ZTORIOUNGRNCLV-LURJTMIESA-N	221.220	-0.625	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cnc(C)n1C	1329125876	CPCYITPLJBHDRG-UHFFFAOYSA-N	232.265	-0.942	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1330844514	VNKQGIBEQBMIOC-RNFRBKRXSA-N	237.263	-0.184	50	10	BBGE	
O=C(NCC#CCO)NNc1cccnn1	1471153557	SPSLRHWEXYFXJF-UHFFFAOYSA-N	221.220	-0.902	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CCNC(=O)CC1	1543985940	PZYQHMQMHQJKLT-ZETCQYMHSA-N	242.279	-0.747	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NN=c1cc[nH]cc1	1611414570	PPVGWTHILFRAMZ-ZETCQYMHSA-N	222.248	-0.542	50	10	BBGE	
Cc1ccnc(NNC(=O)Cn2ncnn2)c1	1638473001	UWTYAPRENBRCPM-UHFFFAOYSA-N	233.235	-0.480	50	10	BBGE	
CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CN(C)C	1641242592	CAQUDCIAKISMCO-IUCAKERBSA-N	243.307	-0.490	50	10	BBGE	
OC[C@@H]1C[C@H](O)CCN1C[C@H](O)CCl	1877820517	FXALTIROPBUMKK-DJLDLDEBSA-N	223.700	-0.596	50	10	BBGE	
CO[C@H]1C[C@H]1NS(=O)(=O)CCCl	1881095721	VVRODTOAORSGEZ-RITPCOANSA-N	213.686	-0.068	50	10	BBGE	
NCCSSCCN1CC(=O)NC1=O	1885644897	IPXPRJBOXLYSCC-UHFFFAOYSA-N	235.334	-0.122	50	10	BBGE	
N=C(NO)C1(O)CCN(C(=O)F)CC1	1887186922	UJHLXZGXMQXIQJ-UHFFFAOYSA-N	205.189	-0.141	50	10	BBGE	
C[C@@H](CO[C@]1(C)CCOC1)C(=O)NN	1888721179	KVRWSFBCKOKACZ-IONNQARKSA-N	202.254	-0.192	50	10	BBGE	
O=C(NC1(CO)CNC1)C1CC(Cl)C1	1893481569	IKKVPFADBVHIAF-UHFFFAOYSA-N	218.684	-0.546	50	10	BBGE	
C[S@@](=O)C1CN(C(=O)/C=C/C(=O)Cl)C1	1893504412	HKXNIOCTEOKATL-BAABZTOOSA-N	235.692	-0.103	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H](C)COC[C@H]1C	1893845819	OQWOSRLGXGQNCR-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCCO1	1895632049	JUCMGFXHFMBDCG-SSDOTTSWSA-N	203.242	-0.981	50	10	BBGE	
CN(NC(=O)[C@]1(C)CC[C@@]1(C)N)S(C)(=O)=O	1901339486	OQDGRCCLFGEDQX-DTWKUNHWSA-N	249.336	-0.574	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(C(=O)C=CC(=O)Cl)C1	1902704408	PLUPLSWZZWIILO-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2C[C@H](C[C@H]2O)C1	1906156827	MGVCQOLJUGMBHW-ZKKRXERASA-N	239.319	-0.685	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@H](O)CCN2)CC1	1907714477	DMDCAAUVBBKBPO-GHMZBOCLSA-N	235.287	-0.218	50	10	BBGE	
NNC(=O)CCCN1CC[C@]2(CCC[C@H]2O)C1	1918421454	NZDSSFNWGQBVMZ-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCCO)CCCO	1922184791	KSNLUCDWVLIDAH-SNVBAGLBSA-N	247.339	-0.788	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@H]1CO	1927918293	QVMGKMXQYBKHTI-VGMNWLOBSA-N	213.281	-0.931	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1F	1928692285	MSSCCFNEIDAJAQ-GJMOJQLCSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)c1nc(CN2CCC2=O)cs1	1928991896	KBHOMHHPEWBGQG-UHFFFAOYSA-N	226.261	-0.521	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)CCC(=O)NN	1932221862	PKVOOLYCTSZKEX-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](c2nnn(C)n2)C1	1935168801	DDPFLFQDRUNZAD-PHDIDXHHSA-N	201.661	-0.154	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094812	QENHFMJXCDLSGK-IUCAKERBSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCCO2)O1	1937124144	KVLQZBVRDTZUNM-IUCAKERBSA-N	229.280	-0.449	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2COC[C@@H]2Cl)n1	1939174018	WKFBDAIDTYRUEG-RITPCOANSA-N	245.670	-0.806	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)[C@@H]1C	1941087029	LFOFWBNMRSYCDM-YWIQKCBGSA-N	239.275	-0.747	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccncc1	1941784679	PIBXVLQTJXBOPN-UHFFFAOYSA-N	238.291	-0.480	50	10	BBGE	
N[C@H]1COC[C@H]1C(=O)CBr	1953156140	LXXIHXWNRDWWIP-UHNVWZDZSA-N	208.055	-0.076	50	10	BBGE	
NNC(=O)CN1CC(OCc2ccccc2)C1	1953189613	PIZJUEMTIIZIHW-UHFFFAOYSA-N	235.287	-0.123	50	10	BBGE	
C#CCN(CCO)C[C@H](O)CBr	1953617550	IYGWRWJSBBJDSK-MRVPVSSYSA-N	236.109	-0.330	50	10	BBGE	
Cc1nn(C)c(=O)n(CCCl)c1=O	1954252633	ATYVRLYWJFKZPY-UHFFFAOYSA-N	203.629	-0.511	50	10	BBGE	
CN(C)[S@](C)(=O)=NCC1(C(=O)NN)CC1	1960619489	YZPKUZMZIITCQM-OAHLLOKOSA-N	234.325	-0.669	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)c1ccnn1C	1961789616	OQGPPRMWURGFPQ-ZETCQYMHSA-N	211.269	-0.375	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccc(B(O)O)cc1	1968999243	SGENLLBPLKJQQZ-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
CC(C)(C)[C@]1(O)CCN(CC(=O)NN)C1	1974895226	NENJYQIFRAWREM-JTQLQIEISA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cc(C(=O)NN)no1	1975982325	LQAFKSIBVVMFKI-RXMQYKEDSA-N	224.220	-0.601	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COCC[C@@H]1C(=O)O	1976214348	QIOXOOOWAPUXKL-BQBZGAKWSA-N	231.252	-0.748	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)CC12CC2	1980718857	OGHNNCIFOPKHHQ-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1(CO)CCCC1	1980803717	OYAJFAUPCYXVIH-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
NC(=S)NNC(=O)c1cnc2cccnn12	1981292031	MXXWNXZTXVVODV-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
CO[C@H](C(=O)O)C1CN(C(=O)NN(C)C)C1	1981315908	FCDKOJYUEACXSO-ZETCQYMHSA-N	231.252	-0.796	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)n1	1981469581	VIFACUJBBJYLPS-CWKFCGSDSA-N	236.105	-0.333	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H]1Cc2nncn2C1	1983008232	OJHKSBCGCVLJHM-HTQZYQBOSA-N	238.678	-0.193	50	10	BBGE	
CC1(O)CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	1985356867	JOHYTJPSGNDELM-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
Cc1cnc(O[C@H]2CC2(F)F)c(B(O)O)c1	1985884579	QOCHAOWKVZKPDB-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)C1(CO)CC1	1986546750	RKDXNXGHFVSGLZ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CCNC(=O)N[C@@H](C)c1cscc1B(O)O	1987174801	JGLRDWAQYWURHR-LURJTMIESA-N	242.109	-0.192	50	10	BBGE	
Cc1ncc(C(=O)NCC=CB(O)O)n1C	1991327551	QYDOORSJKHTLNB-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
C=C(CN1CCCC[C@H](N(C)C)C1)B(O)O	1992152897	JOLYOVARLADENJ-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CN1CC[C@H]2CCN(CCCC(=O)NN)C[C@@H]21	1996608363	NCHSAWJJPPRDMI-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@H](C2)C3O)CC1	2002477474	JRIDDSMKZDZBPG-ULKQDVFKSA-N	239.319	-0.541	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCN2CCCC(=O)NN)C1	2004171636	SUKLKVIHHKGCEW-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]1C(F)(F)F	2004928981	HUCPHSNREUIWBP-SSDOTTSWSA-N	245.997	-0.098	50	10	BBGE	
C=CC[C@H](C)Oc1ncc(B(O)O)c(OC)n1	2004933368	GMUAAPKYDVVWHJ-ZETCQYMHSA-N	238.052	-0.492	50	10	BBGE	
COC[C@@H]1CCCN1c1ncccc1B(O)O	2004934855	IXRFKULHPWIZTR-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1ncccc1B(O)O	2004935817	QKYDWKIKEQQCNV-IUCAKERBSA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](CF)C2)c(F)c1	2005013784	APOBPDYFVKPGTB-SSDOTTSWSA-N	242.034	-0.304	50	10	BBGE	
CON(C)c1ccnc2cc(B(O)O)cnc12	2005018084	OHZYYNMUTPDXFA-UHFFFAOYSA-N	233.036	-0.693	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCOC2)ccc1F	2005060738	NAQWQUKGPAJKAI-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21)C(=O)NN	2005810308	XOAWHBBPBJOPJC-BZNPZCIMSA-N	237.303	-0.131	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010834431	CMMJHLICTGBLJR-IWSPIJDZSA-N	242.323	-0.802	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CCO[C@H]2C1	2012760099	BFPRRRXBUIQOQM-AEJSXWLSSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(=O)N2CCCC[C@H]2C1	2013241544	QVCPRAFJQUJIAX-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1ncc(B(O)O)cc1F	2014734683	IWWDRRFNFBIAFA-POYBYMJQSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)NC(=O)C12CC2	2014890586	YSXLFHPPPSBALD-SFYZADRCSA-N	240.307	-0.892	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C[C@@H]1C[C@@H]1C(=O)NN	2019606199	IUGPETIVOYWBBR-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc(O)ccc1O	2020066842	AFSKTVBEZGWJKZ-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
CN1CCC(N(C)c2ncccc2B(O)O)CC1	2052492026	PGOSUHSMKAEHDG-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(N2CC[C@@]23CCOC3)ncc1B(O)O	2052626697	FEQFWVHAEYIFJM-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
COC[C@]1(C)CCN1Cc1ccccc1B(O)O	2055902137	FITQIIWNXCNSGA-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
COc1cc([N+](=O)[O-])c(B(O)O)cc1C#N	2060285108	VPFPQDKSRGXCMS-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	2079519160	MMQYPWAMOZFTSA-RKDXNWHRSA-N	248.091	-0.008	50	10	BBGE	
ClCCC#CCNCCn1cnnn1	2209514633	OQOWCYGGJDKMKE-UHFFFAOYSA-N	213.672	-0.105	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)ccn1)[C@H](C)N	2212608312	RMWODXKVMKRJOU-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1CCOCC(=O)NN	2214802584	RFSUPRCAEBLXRG-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@H]1CC[C@H]1C(=O)NN	2215773261	SEBSTQJYTSODDW-RKDXNWHRSA-N	242.323	-0.978	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2[C@@H](CO)[C@@H]2C1	2215773463	SQJXCSYOQXQTPV-XXFSISAASA-N	239.319	-0.827	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](F)C2)CCOCC1	2216875347	WLITWLAYXWPAPW-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
Cc1cnc(Oc2cnn(C)c2)cc1B(O)O	2217165700	BDFYZDSMUIVRAK-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
CC(C)N(C)CCNc1ncccc1B(O)O	2217174976	BHQTZKAXAZTZMU-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
Cc1cnc(N2N[C@H]3CC[C@H]2C3)cc1B(O)O	2217185354	VWWSGIGKHLWOGA-IUCAKERBSA-N	233.080	-0.684	50	10	BBGE	
CC1(C)C[C@@H](O)CN1c1cc(B(O)O)ccn1	2217199089	JZQYOCOUDWMOAW-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
CC1([C@@H](CO)Nc2ncccc2B(O)O)CC1	2217204377	IWDGEIOYXSSSQS-SECBINFHSA-N	236.080	-0.666	50	10	BBGE	
NC1CC2(C1)CN(Cc1cccc(B(O)O)c1)C2	2220071983	MOQUTIHFVJKTPK-UHFFFAOYSA-N	246.119	-0.711	50	10	BBGE	
N#Cc1cccn(C[C@H]2CC[C@@H]2C(=O)NN)c1=O	2221566909	LXPASEABMQKISL-ZJUUUORDSA-N	246.270	-0.264	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)c1ccc(B(O)O)cn1	2223650410	MBTNILYLOGCADU-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1CCN	2223667102	NFYZTTAXZWBWGS-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CO[C@H](C3CC3)C2)nc1	2223677068	JPHPCLLLRVPXSP-MNOVXSKESA-N	248.091	-0.259	50	10	BBGE	
C[C@H](CCN(C)C)N(C)CC(=O)NN	2242146644	VLUPVMSMMPIUQY-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
CCCCN(O)C(=O)c1coc(B(O)O)c1	2243347795	QATCZWOOCPIBPS-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2243350297	YZIYKPRPGWLTCR-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
Cn1cnc(CNC(=O)C2(B(O)O)CC2)c1	2243358042	BBTRWEAJPIHBSL-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccsc1B(O)O	2243358139	CVZJWEBMWDCPTF-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
O=C(NC1CC1)c1c(Cl)cccc1B(O)O	2243358751	KKSCYHJFWGIBGG-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CCCCO1	2243361591	DDYTUAAQPRPCCN-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
O=C(C#CB(O)O)NC1CC(C2CCC2)C1	2243362257	OJPPPDVQCQGWAA-UHFFFAOYSA-N	221.065	-0.303	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243393023	ZNZJHHCMKMKYDH-OAHBRNHXSA-N	227.069	-0.875	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(C(=O)C#CB(O)O)C1	2243398047	BAOVMGVSPRKDLQ-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
CC=C1CN(C(=O)c2cscc2B(O)O)C1	2243408437	NCKNQBOSGKHQJK-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
O=C(N1CCCNCC1)C1(B(O)O)CCC1	2243411468	UMEVUGTZJSZJFF-UHFFFAOYSA-N	226.085	-0.795	50	10	BBGE	
C#CCN(C)C(=O)c1scc(B(O)O)c1C	2243414245	WPWDVLUQDJJWGW-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCC1	2243425987	CVSMHCYUOAOSGS-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
O=C(Nc1cnoc1)c1cocc1B(O)O	2244206395	WEWOSNSXUFBIMT-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
C=C1CC(NC(=O)c2cocc2B(O)O)C1	2244214663	WIOGNMVMBUOJJY-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cocc1B(O)O	2244218849	AZZJGFFNWGPGPS-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CC1(C)COCN1C(=O)c1ccc(B(O)O)o1	2247739769	BFUADPPIPAFBMT-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2OCC[C@@H]2C1	2247742058	KCYBAWKNTXRWET-BBBLOLIVSA-N	237.064	-0.924	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1ccc(B(O)O)o1	2247744512	UHTLNEBKYUAEHE-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C(=O)C1(B(O)O)CCC1	2247753299	FCPNGTBQJPKBKJ-ZETCQYMHSA-N	242.084	-0.894	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)cn2C)[C@@H]1C	2247757521	KBDJXYWGOGPIBN-JGVFFNPUSA-N	236.080	-0.815	50	10	BBGE	
COC[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790537	HWWLZXFGBAYKTM-KYXWUPHJSA-N	241.096	-0.362	50	10	BBGE	
COC[C@H](CCNC(=O)[C@H]1C[C@@H]1B(O)O)OC	2247798392	SZASXBSBZRUWAB-CIUDSAMLSA-N	245.084	-0.983	50	10	BBGE	
COc1ncccc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247804709	HYMMBBFAVATIIU-RNFRBKRXSA-N	236.036	-0.108	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CC[C@H](C1)O2	2247841945	NBJXMJQFEKPTNN-ILWJIGKKSA-N	237.064	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N1CCCc2ncccc21	2247850770	SNVUYAJAWZAMGC-UHFFFAOYSA-N	230.032	-0.624	50	10	BBGE	
O=C(NCc1ccnnc1)C1(B(O)O)CCC1	2247854197	YNLXZLZNEJYVCO-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
CN(C[C@]1(C)CCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2247860039	QYOSFEHGGBUUOK-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CC1	2247872223	OWZWKWDOVMFVBG-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2C[C@H]2F)oc1B(O)O	2247876975	ZZGFUSLCCQUYGM-RNFRBKRXSA-N	241.027	-0.644	50	10	BBGE	
CCn1ccc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]1	2247888282	YBIXSWXPAAYSTA-ZKCHVHJHSA-N	237.068	-0.484	50	10	BBGE	
Cc1cc(=NC(=O)[C@@H]2C[C@H]2B(O)O)c(C)c[nH]1	2247898801	HWELANBHTMVEBW-RKDXNWHRSA-N	234.064	-0.078	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247899633	OYOSERVIAWFKOG-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)C1CC(B(O)O)C1	2247909776	LMLMYNIBAKVTSX-PGQYJIMISA-N	239.080	-0.610	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CC(=O)O)CC1	2248575702	HJWMTYVDBWKKMM-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@H]1C[C@@H]1C(=O)NN	2250542264	GLBWXJDIUVMNEI-AXFHLTTASA-N	243.351	-0.049	50	10	BBGE	
CCc1cnn(CC2(C(=O)NN)CC2)c(=O)c1	2250943023	QEADDPAOHZINFX-UHFFFAOYSA-N	236.275	-0.424	50	10	BBGE	
OB(O)c1cccc(F)c1Cn1cc(F)cn1	2251408336	BQSDTSKFFMNMOG-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1cccnn1	2255455846	GIQHCJXDOPWBSL-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1CC[C@H]2C[C@H]21	2255466897	GEFDDECHYBYPFB-DJLDLDEBSA-N	249.075	-0.170	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	2255469016	JQWMBNOMIHHAFH-LDMBFOFVSA-N	247.103	-0.057	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(B(O)O)cn1	2255521429	WQMBAPYQUIQWOJ-GXSJLCMTSA-N	246.075	-0.710	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]nc1B(O)O	2255551600	ZQSYXXGZVFBVBO-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2255571396	OPFYFJFZFDSWER-KYZUINATSA-N	249.079	-0.312	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1C	2255677626	JULBISVRWCBCJG-LLVKDONJSA-N	243.071	-0.477	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)ccc1O	2256016081	CFPXHUHCQRAYKA-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CSC1=O	2297013392	KDHLFSNUQQPQHD-SCSAIBSYSA-N	217.250	-0.550	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]1CO2)C1(B(O)O)CC1	2298375098	PIOPNIRRMWNCFC-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
O=C(NC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@@H]1C[C@H]1B(O)O	2298377440	RKMJTIIISHWKRJ-OPVFVPONSA-N	235.092	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCn1ccncc1=O	2300384418	QRXXIRPGJIXCTN-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
CN(C[C@H]1CO[C@]2(C)C[C@H]1C2)C(=O)C(=O)NN	2300461876	QCECASKKOWJRFR-DKCNOQQISA-N	241.291	-0.750	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1ccc(C(N)=O)cc1	2300923457	JEQBYYSGDPNFPO-SSDOTTSWSA-N	237.259	-0.067	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@H](F)C1=O	2301877653	ROPKWRATHNDPLU-HLTSFMKQSA-N	243.282	-0.037	50	10	BBGE	
CCn1cnc(CN2CC[C@](C)(B(O)O)C2)n1	2303156189	UQCAACLLVHJBKB-JTQLQIEISA-N	238.100	-0.263	50	10	BBGE	
CN1CC[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303836855	SCWFPRBZGAHVDG-SSDOTTSWSA-N	239.059	-0.984	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2307311227	DVNILTOLIGLQRO-HRDYMLBCSA-N	240.112	-0.422	50	10	BBGE	
CCC[C@H](CC)Cn1cc(B(O)O)cnc1=O	2307899633	CHYJCOYBKSBCBE-VIFPVBQESA-N	238.096	-0.251	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@H]1N	2317150717	IHKGXNPUGWLNHC-LDYMZIIASA-N	245.091	-0.979	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2318348854	VCIOERRDXGMUSI-JMJZKYOTSA-N	248.091	-0.625	50	10	BBGE	
COCCNC(=O)C(C#N)=CN(C)CCO	2324627039	FGFKSKPYYQJQIS-UHFFFAOYSA-N	227.264	-0.919	50	10	BBGE	
N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@H]12	36439892	BUDIODLBJBTUJD-CLZZGJSISA-N	248.691	-0.194	50	10	BBGE	
COc1cc(NC(=O)C(=O)NN)cc(OC)c1	36948058	PEAIHHPQTKNWSJ-UHFFFAOYSA-N	239.231	-0.368	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC(=O)O)C1CC1	37594320	IVXBAHSCSXUETG-UHFFFAOYSA-N	243.263	-0.907	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(CN(C)C)CC1	82469737	POGYNQFKUFVJEE-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
COCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	82470608	NYIYKGVQPKALRP-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CCN1CCN([C@@H](C)[C@@H](C)C(=O)NN)CC1	86313271	WBGMAIULSNZTMU-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(C(N)=O)CC1	93071671	JOSQZXZMLHWMSY-JGVFFNPUSA-N	242.323	-0.802	50	10	BBGE	
CC(C)(C)OC(=O)c1c(N)cccc1B(O)O	204028871	AUGZJAAAMVLSPS-UHFFFAOYSA-N	237.064	-0.096	50	10	BBGE	
NNC(=O)C[C@H]1CCCCS1(=O)=O	214735641	ZPTNPAVLXBLYKT-ZCFIWIBFSA-N	206.267	-0.666	50	10	BBGE	
Cc1cc(OCCn2cccn2)ccc1B(O)O	216045250	LCJRLLKHDXWMIU-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](O)C1	219253485	IZOCKYFTVZEWPW-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C[S@](C)=O)NS(=O)(=O)CCl	229037509	OJOVLNHYZQOHGK-GCXOYZPQSA-N	233.742	-0.131	50	10	BBGE	
NC(=O)NNC(=O)NNc1ccccc1	238590098	BHCLVTAGLPERPV-UHFFFAOYSA-N	209.209	-0.104	50	10	BBGE	
OB(O)c1cncc([C@H]2CCCNC2)c1	238657337	ZGJIMSBGBMPCNA-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
CN1CCC(C(=O)NN)(c2ccc[nH]2)CC1	259042288	TWYUNLGBNWFGAH-UHFFFAOYSA-N	222.292	-0.032	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc(F)c(F)c1	259071577	YBSGCGIALDKGGK-MRVPVSSYSA-N	215.203	-0.176	50	10	BBGE	
CO[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@H]1OC	300045471	LIJPGPGLHKYVIE-BBBLOLIVSA-N	245.323	-0.654	50	10	BBGE	
O=C1NCNN2C[C@@H](Br)C[C@H]12	306340061	WABZRQVXKBLBAV-CRCLSJGQSA-N	220.070	-0.584	50	10	BBGE	
NC(=O)N/N=C(\CO)C1(O)CCCC1	306911672	QZQQDJVPGFPZQA-UXBLZVDNSA-N	201.226	-0.692	50	10	BBGE	
CCCC(/C=N/NC(N)=O)=N\NC(N)=O	308674176	KFBDPBPATWUTIY-ZVSIBQGLSA-N	214.229	-0.535	50	10	BBGE	
COCCS(=O)(=O)N[C@@H]1COC[C@H]1Cl	323486959	BAZCCBKRYJAMAD-RNFRBKRXSA-N	243.712	-0.442	50	10	BBGE	
NC(=O)[C@]1(O)CCN(c2nnc(CCl)o2)C1	380501537	ADOVMPQJWZTTED-QMMMGPOBSA-N	246.654	-0.765	50	10	BBGE	
CCC[C@](C)(O)C(CO)=NNC(N)=O	383918446	GTTUDVPHPUFRPU-QMMMGPOBSA-N	203.242	-0.446	50	10	BBGE	
CCCC1(O)CN([C@H](C)CC(=O)NN)C1	384148357	OSRWREPEPWDADI-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nccs1	387604158	JDJBAJWTZPZOLS-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
O=Cc1ccc(B(O)O)cc1CCC(=O)O	396055469	SBKPCTUDRSREMN-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
O=CCCc1cccc(B(O)O)c1/C=C\C(=O)O	396132861	MKWYFVHPQYRCDS-SREVYHEPSA-N	248.043	-0.404	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H](C)C1	399584156	CYPYKGIQMFQIGW-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](CC)C1	399867904	AVGCHIHYJCIACL-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
Cc1nc(C(=O)Nc2ccc(B(O)O)cc2)n[nH]1	404983748	SANISICPEUVPDV-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1cccc(B(O)O)c1	584983854	QWXNKAIXDJIKSW-ZSBIGDGJSA-N	245.087	-0.105	50	10	BBGE	
OB(O)C1=CCN(Cc2cc3n(n2)CCC3)CC1	585138800	RUCNLZXENBBBPG-UHFFFAOYSA-N	247.107	-0.027	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)C(=O)NN)O1	688915367	MUBLCACHXOGRQV-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12COC[C@@H]1C2	689281590	QOVFRBUQEHJQQC-KHQFGBGNSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)C(=O)NN)C1CC1	692096873	PYIVSBZFVFSVSD-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccccc1CN1[C@H]2CC[C@H]1COC2	695045924	RXJHHYPXDQZRFW-RYUDHWBXSA-N	247.103	-0.270	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCCC(=O)NNC(N)=S	700850147	ZQWXNLAALCADEI-NTSWFWBYSA-N	244.320	-0.987	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1	700876856	MVFHOXVPIXZNHU-UHFFFAOYSA-N	246.230	-0.420	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)CBr	717358281	YNIDBHJVUIZQHX-CRCLSJGQSA-N	226.070	-0.761	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnc2n1CCC2	719371623	YJONKAGSZGPTNU-QMMMGPOBSA-N	237.307	-0.361	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCS[C@@H](CCO)C1	720083693	ASLYZZKPNBFPBP-IUCAKERBSA-N	247.364	-0.445	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)NCC1CC1	746167689	WIVDLNHAFLZHIH-UHFFFAOYSA-N	238.247	-0.043	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](OC)C1CCC1	823425398	SGCWZMKWIGMRIW-SSDOTTSWSA-N	215.253	-0.238	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]1OC	930731624	HFDULJNCLRGMNB-PHDIDXHHSA-N	201.226	-0.628	50	10	BBGE	
O=C(NNc1ncnc2[nH]cnc12)c1nc[nH]n1	1116521156	HJJNAKKFSHSYKP-UHFFFAOYSA-N	245.206	-0.772	50	10	BBGE	
CN(NC(=O)[C@@H]1Cc2cccnc2C1)C(N)=O	1346497553	MBTAAYBEHFAIJW-MRVPVSSYSA-N	234.259	-0.162	50	10	BBGE	
O=C(/C=C/c1cnccn1)N1CC[C@@H](B(O)O)C1	1351729429	OEAACOVLADSCQB-GPYPMJJRSA-N	247.063	-0.435	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)CCCCl)C(=O)O	1865986683	JGGOIHRDUJCPKK-VDTYLAMSSA-N	223.656	-0.044	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@@H](CN)O1	1877235371	ZGYNOBDFBUESPF-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](C(=O)CBr)N1CC(N)C1	1880354899	XNAWMFUADSFNEF-YFKPBYRVSA-N	221.098	-0.018	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NCC(Cl)Cl	1880598061	QGNZDQYESDWYOV-UCORVYFPSA-N	215.080	-0.386	50	10	BBGE	
O=C([C@H]1C[C@H]1Br)N1C[C@@H](O)CO1	1881353793	NLAYHWHWXJVWLD-NGJCXOISSA-N	236.065	-0.096	50	10	BBGE	
O=C(CCl)N1CC(OCCCO)C1	1884252317	GJJSIVWXXYBTJM-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)C(=O)F	1887188178	MNZLDQHSYQITIY-NTSWFWBYSA-N	225.241	-0.180	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@]1(O)CCNC1	1893109245	XXBKXIPJGZTBBI-ZKWXMUAHSA-N	218.684	-0.546	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)[C@@H]1C[C@H]1B(O)O	1893580404	LBIBEORNRDVRER-DBRKOABJSA-N	201.006	-0.534	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@](C)(O)[C@H](O)C1	1894992943	ULTIUWZRSQJMGD-ZXFLCMHBSA-N	221.684	-0.042	50	10	BBGE	
NNC(=O)CCCN1CCOCCO1	1895633433	ZLVNNYUJEFBBGJ-UHFFFAOYSA-N	203.242	-0.980	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCOCC1	1900528242	RKHDCTMBMIUCEI-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C1(C)C	1900685451	CHPKLGJSBWPRLH-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
CN(NC(=O)[C@H](CN)CC1CC1)S(C)(=O)=O	1901375681	PFYZTKYTJUMLMC-QMMMGPOBSA-N	249.336	-0.716	50	10	BBGE	
CC=C(C)C(=O)Nc1ncc(B(O)O)cn1	1901546016	IBJYEGOIYLJLDX-UHFFFAOYSA-N	221.025	-0.939	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H](F)[C@H](F)C2)n1	1902639488	QUNUTELFONNWNO-PHDIDXHHSA-N	248.063	-0.685	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@H]2C)ncc1B(O)O	1907076443	FNZWNKYTSICZMI-APPZFPTMSA-N	235.096	-0.443	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	1910104287	PGETWVVMYNSYEE-QNSHHTMESA-N	239.080	-0.372	50	10	BBGE	
NNC(=O)N1C[C@H](O)C[C@@]2(CCCO2)C1	1924295177	JDGFOYBDKDLOKK-APPZFPTMSA-N	215.253	-0.815	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1C1CC1	1927995530	UVKKOCGAVDSKPU-IUCAKERBSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)COCCN1CCCCCC1	1928179689	SNONCYXLBSNXAW-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
C[C@@H](Br)CNC(=O)Cn1cnnn1	1928696260	LJAWBGNKPIYBMI-RXMQYKEDSA-N	248.084	-0.427	50	10	BBGE	
C[C@H](C(=O)NN)N(C)OCC(F)(F)F	1928707577	ZVZXLRXKBIJFQA-SCSAIBSYSA-N	215.175	-0.210	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]1(C)CO	1932968530	YCYKTDIWIYVZKZ-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
COC1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936095142	UHPQIZUPWHGHDY-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC1(F)F	1938860232	MKULQLDWTFVZFT-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@@H]21	1940721872	XDLKBEMVAAPELM-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
Cc1ncn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1C	1941087321	MYPYSOUOMXVIKM-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
C[C@@H]1CCCN(CCOCC(=O)NN)[C@@H]1CO	1941771984	BXMAYCDNNZIMFD-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1946111381	WUOFISHEBNFDLX-QEYWKRMJSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)c1cc(CN2CC(CCO)C2)on1	1946933934	LPTWYRZSAIAPKP-UHFFFAOYSA-N	240.263	-0.908	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)CCOCC(=O)NN	1947197462	AAZQWOQMBVNUCQ-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CN(C)C[C@@H](N)C(=O)CBr	1953156504	QYJYIQDLOANKOR-RXMQYKEDSA-N	209.087	-0.161	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1[C@H]2COC[C@H]21	1957279166	BNWGBFKZXQMOSO-CNYLLVADSA-N	218.640	-0.304	50	10	BBGE	
CN1C(=O)N[C@H]2CN(C(=O)CCl)CC[C@H]21	1961457388	UAVZPCMSVNVIGD-NKWVEPMBSA-N	231.683	-0.150	50	10	BBGE	
OB(O)c1csc(N2CC(C3CC3)C2)n1	1961718984	WLZPOOBISGZMSA-UHFFFAOYSA-N	224.094	-0.331	50	10	BBGE	
OB(O)c1cccnc1N1CCCCCO1	1981423775	IXDQCFBVEPMJSD-UHFFFAOYSA-N	222.053	-0.317	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ncccc1B(O)O	1981431167	WJMVGAQXXIMNKA-IONNQARKSA-N	223.037	-0.825	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ncccc1B(O)O	1984211064	FHLYPUKSGXDQAG-LURJTMIESA-N	230.023	-0.149	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CCO[C@@H]2C1	1986660446	NBBPBJZQSBOYNV-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCn1ccnc1C(F)F	1986810269	LCNZNJBCRPJJKR-UHFFFAOYSA-N	234.206	-0.173	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1ccncc1B(O)O	1987863382	WBMMAAWQYQGLRA-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
C[C@H]1OCC[C@@H]1CC(=O)NCC=CB(O)O	1991328261	DLQXQQSKHVFOCI-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1CN(C2COC2)C1	1991706540	QRPGDYWGBDHWRK-OWOJBTEDSA-N	244.678	-0.493	50	10	BBGE	
COCCN1CC[C@H](N(C)[C@H](C)C(=O)NN)C1	1997504838	UQQDBURCSDJMBW-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000815602	WBZKJAPVEPNIIU-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
Cc1nc([C@@H]2CCCCN2CC(=O)NN)no1	2004034184	ZDNHAWGSEYTVFT-QMMMGPOBSA-N	239.279	-0.105	50	10	BBGE	
COCCC1CN(c2ccncc2B(O)O)C1	2004919186	VPMQEFMPBXFTOO-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
Cc1ccnc(O[C@@H]2CO[C@@H](C)C2)c1B(O)O	2004929378	KJSMGXNQEMZANQ-IUCAKERBSA-N	237.064	-0.374	50	10	BBGE	
C[C@H]1COCCN(c2ccncc2B(O)O)C1	2004940707	ZIRHJUNIUNLBDG-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CC1(C)C[C@H]1CCn1cccc(B(O)O)c1=O	2008843756	DXSLXNVMKKSCFL-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H](CN1CCN(C2(C)CC2)CC1)C(=O)NN	2009280844	WQNHXSGZKNXVFH-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
COCC(COC)COCC1(C(=O)NN)CC1	2026059299	IHSKTTSLFRYZFF-UHFFFAOYSA-N	246.307	-0.318	50	10	BBGE	
O=C(CN1CCN[C@H]2C[C@@H]21)NNc1ccccn1	2034678968	NIXADUYOAVDQOS-UWVGGRQHSA-N	247.302	-0.429	50	10	BBGE	
COCC1(C(=O)Nc2ccc(B(O)O)cc2)CC1	2040264727	GQUXJLXKFQTIID-UHFFFAOYSA-N	249.075	-0.269	50	10	BBGE	
Cc1nc(N2CC(C)(C3CC3)C2)ncc1B(O)O	2052550583	UIFVRVUGZXMYQB-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
C[C@H](NC(=O)C1COC1)c1ccc(B(O)O)cc1	2056444698	QQGKCKQRTWYXQR-QMMMGPOBSA-N	249.075	-0.810	50	10	BBGE	
N#Cc1cc(C(F)F)c(B(O)O)cc1C=O	2060230062	ICAPJIODELILLY-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCC[C@H]2C1	2065200181	VZTJNGFPZXEIJG-ZJUUUORDSA-N	247.107	-0.217	50	10	BBGE	
CN(C(=O)CCl)c1cn(C)c(=O)nc1O	2065373351	HVXOOLNFPAVOSB-UHFFFAOYSA-N	231.639	-0.313	50	10	BBGE	
Cc1nc(OC[C@@H]2CC[C@H]3C[C@H]32)ncc1B(O)O	2071008872	FILBOESRROFZNU-LPEHRKFASA-N	248.091	-0.110	50	10	BBGE	
COC[C@H](SCCCCO)C(=O)NN	2209860948	LAZHTNOMPXXHPC-ZETCQYMHSA-N	222.310	-0.503	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](N(C)C)C(C)(C)C1	2211494086	YXAJELMPKBWZTK-BDAKNGLRSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(F)(CO)C1	2211839348	SWKIXSZYOMCYJK-SFYZADRCSA-N	231.271	-0.981	50	10	BBGE	
C[C@]1(COC(F)(F)C(=O)NN)COCCO1	2211982330	HTQBVDNDZCKPSB-SSDOTTSWSA-N	240.206	-0.609	50	10	BBGE	
OB(O)c1ccc(N2CC=C[C@@H]2CF)nc1	2212603182	DBXBRTKKNZODEW-SECBINFHSA-N	222.028	-0.524	50	10	BBGE	
CCC/C=C/CN=c1cc(B(O)O)cc[nH]1	2212612608	MKTIHJVQCCMCGC-SNAWJCMRSA-N	220.081	-0.049	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1ncccc1B(O)O	2212615228	LUGWKAGRRDYKTL-IONNQARKSA-N	222.053	-0.649	50	10	BBGE	
CN1CC2(C1)CN(C[C@@H]1CC[C@@H]1C(=O)NN)C2	2215776293	LVQYVKOSNQKVLS-UWVGGRQHSA-N	238.335	-0.750	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@]3(CO)C2)CCC1	2216492659	QNYGUQDVISJUIS-CABZTGNLSA-N	239.319	-0.539	50	10	BBGE	
OB(O)c1cnc(NC2(CC3CC3)CC2)nc1	2217175214	FZZQZNWDSHFSHG-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
Cc1oncc1CNc1cc(B(O)O)ccn1	2217175544	KHOXARLYXOCPAI-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CO[C@@H](COc1cc(B(O)O)ccn1)C(C)C	2217190644	OONLOAVFWQGHPC-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1Oc1cc(B(O)O)ccn1	2217190780	GJSJTNOZYQVAPO-IUCAKERBSA-N	236.080	-0.734	50	10	BBGE	
CC(C)[C@@H](Oc1cc(B(O)O)ccn1)[C@@H](C)N	2217191187	RHEHJKQFDFEPQI-LDYMZIIASA-N	238.096	-0.488	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@]23CCOC3)c1	2217195440	KDQQKUADIUZKMW-KOLCDFICSA-N	234.064	-0.648	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@H]2C2CC2)nc1	2217201716	ZOLKEUMIVINSNH-UWVGGRQHSA-N	233.080	-0.243	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)Nc1ncccc1B(O)O	2217203580	XHXCMHRNZFYHSG-LDYMZIIASA-N	236.080	-0.259	50	10	BBGE	
C#CC[C@@H](C)CN(C)c1cc(B(O)O)ccn1	2217204126	FVPXNKJTUHHGTL-SNVBAGLBSA-N	232.092	-0.143	50	10	BBGE	
Cc1cnc(OC[C@@H]2CC=CCN2)cc1B(O)O	2223626563	NTBQKLQLHBNEHH-JTQLQIEISA-N	248.091	-0.633	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CN[C@@H]3CCC[C@H]23)nc1	2223669559	LINSTHKZOOEARF-HBNTYKKESA-N	247.107	-0.686	50	10	BBGE	
CC1(C)CNC[C@@H](Nc2ncccc2B(O)O)C1	2223675010	OOZXCMHVUFEVPT-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
CCC[C@]1(Nc2ncccc2B(O)O)CCNC1	2223675538	RRTGEAMGHNXPIS-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@H]2C[C@@H]21	2243356650	LFUCPIWBUSPLCQ-BQBZGAKWSA-N	237.089	-0.338	50	10	BBGE	
CC(C)(C)ONC(=O)c1ncsc1B(O)O	2243358394	GIJFLBPQFAKNAO-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243361568	CWJMEXYVEJJKJF-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
CC(C)CN(C)C(=O)c1cc(B(O)O)sn1	2243377573	BUYVSPALPAARRO-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N[C@H]1C[C@@H]1C	2243377668	DVEWBJSYLVWARB-NJGYIYPDSA-N	240.093	-0.730	50	10	BBGE	
CN[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381618	HFGOTCVDOUMZCZ-YIZRAAEISA-N	226.085	-0.940	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243395874	DFLSZXMUYCOWTM-VGMNWLOBSA-N	226.085	-0.811	50	10	BBGE	
N#C[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCSC1	2243397032	UODSOPGZDCHJIC-ACLDMZEESA-N	240.093	-0.635	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1cc(B(O)O)c[nH]1	2243399653	OMBXOXIYODMADG-UHFFFAOYSA-N	242.471	-0.806	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)o1	2243399784	QKOIHXTVCRVWDY-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
CCc1cscc1CNC(=O)C#CB(O)O	2243401124	MMZHJGLGLWNGBF-UHFFFAOYSA-N	237.089	-0.058	50	10	BBGE	
Cc1nc(CN(C)C(=O)C#CB(O)O)cs1	2243401445	RFRSBNKZGSODAL-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2243410434	BNJFVFXRVOLUJO-HTQZYQBOSA-N	227.069	-0.635	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]2C=C[C@H]1C2	2243669422	VOXSLEKJQNKFGO-GUBZILKMSA-N	219.049	-0.670	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)co2)[C@@H]1C	2244205113	GATAVUBZYSVBHG-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1CC	2245129062	FMJVKQYLHMORCC-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CC1(C)C[C@H](O)CCN(C(=O)C#CB(O)O)C1	2247737795	KAVIWFXFQJHSHP-SECBINFHSA-N	239.080	-0.989	50	10	BBGE	
Cc1cc(CNC(=O)C#CB(O)O)ccc1F	2247738744	VDDOKQUDJBKTOT-UHFFFAOYSA-N	235.023	-0.234	50	10	BBGE	
CCC[C@H]1COC[C@@H]1N(C)C(=O)C#CB(O)O	2247741387	YXTDOIPMLUZQNX-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
CC1(C)CCCN(C(=O)C#CB(O)O)[C@H]1CO	2247743608	GPYKICXMHCDWIS-VIFPVBQESA-N	239.080	-0.989	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247753039	AMHYMFOYZWRQCH-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1occc1B(O)O	2247753385	GGHFKBOIKUXOLB-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@H]1C[C@@H](CCNC(=O)C2(B(O)O)CC2)CO1	2247754343	FUFDMUBHAMGRON-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2247757930	YKWVACDTCNIIDA-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)cn2C)C1	2247762662	FYURMNZFGLOUFD-UHFFFAOYSA-N	236.080	-0.767	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC(N)C1	2247787011	JWBFIZOZNKMMNZ-REMFIFCHSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247798648	WBTSXMPBRZTIBU-JBDRJPRFSA-N	244.075	-0.944	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CCC[C@H]2C1=O	2247806186	MRKALPWWGDESSX-LURQLKTLSA-N	237.064	-0.366	50	10	BBGE	
CO[C@](C)(CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247807909	SCXWCQYPFXKNQY-ATZCPNFKSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](CO)CC1CCCC1	2247842241	RBUWXWKHKHDIPJ-SNVBAGLBSA-N	239.080	-0.941	50	10	BBGE	
Nc1ccc2c(c1)CN(C(=O)C#CB(O)O)C2	2247849950	HNSHAEZCIQTBDC-UHFFFAOYSA-N	230.032	-0.874	50	10	BBGE	
C[C@@H](N(C)C(=O)C#CB(O)O)[C@@]1(C)CC1(F)F	2247850300	MPNHBBHQCMPQJF-VXNVDRBHSA-N	245.034	-0.106	50	10	BBGE	
CC(C)CCONC(=O)c1ccc(B(O)O)o1	2247851382	YOMBUGYTMSTIMV-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
CC(C)(O)C1CC(NC(=O)C2(B(O)O)CC2)C1	2247877844	FGOMYXRBTXQEDQ-UHFFFAOYSA-N	241.096	-0.341	50	10	BBGE	
O=C(NC1(CO)CCCCC1)[C@H]1C[C@@H]1B(O)O	2247897715	WIMVDFRPRJCCSB-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
COC[C@]1(C)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247900801	ZUPKMKPYTFFLND-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
C#CCOCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910930	SHVOJEYEZZJHSO-AOOOYVTPSA-N	239.080	-0.652	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)Nc1ccccc1B(O)O	2247979442	UKVIRWKKFDOWMY-OIBJUYFYSA-N	234.064	-0.104	50	10	BBGE	
O=C(O)[C@@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2248586743	GGDMJVHQCDLKLD-SSDOTTSWSA-N	239.036	-0.907	50	10	BBGE	
CCc1ccc(C(=O)NCCC#CB(O)O)o1	2249998400	IKITVAUXXXKXKR-UHFFFAOYSA-N	235.048	-0.023	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2253136819	DRUMIJPJQRQSHE-LXGUWJNJSA-N	243.068	-0.535	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cn(C)cn1	2254006829	DAYCYYMMZVLLHK-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CCC[C@H]32)n1	2254574408	SDLICYJKMNMZPU-PSASIEDQSA-N	248.091	-0.241	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@H]3C[C@H]3C2)c(B(O)O)c1	2255508863	FFXCGKICGIRXCS-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCCO1	2255510478	XCQSUQFOIBHBGP-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c1	2255513535	SZBANVCYPKBTKD-GDGBQDQQSA-N	245.087	-0.187	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255531702	QZJVLFIIDXFYGR-SOCHQFKDSA-N	248.091	-0.464	50	10	BBGE	
C[C@@]1(NC(=O)c2n[nH]cc2B(O)O)CC=CCC1	2255554789	RGBNLBRJVXTWAE-LLVKDONJSA-N	249.079	-0.682	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC2(CC2)C1	2255730108	GSLJXBQWOMTFBF-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCOC2)c1	2255736858	VAEFOEVGEWTLIY-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
C#CCN(CC)C(=O)Nc1ccc(B(O)O)cc1	2255919125	OSOKMXQUZIQQGN-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1C[C@H]2C[C@@H]2C1	2258125512	QXBRTPMGKXQVMW-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	2297953683	VGCVNLZPDBTXLR-VLEAKVRGSA-N	241.335	-0.296	50	10	BBGE	
CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368823	ZUCMQLIEDXYMHU-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369757	DNXMYLYJRUTUDE-YSSBGUOXSA-N	239.080	-0.656	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2298376740	MCCLQECUSXOKAS-BGZDPUMWSA-N	241.096	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@]2(CO)CC[C@H]1C2	2299770279	RGWBSAMNPGJJJK-QFOLPQNPSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	2302061959	XKNBNSBYRUFXLU-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](O)C2(CC2)C1)C(=O)NN	2303424446	RNKNNZGUSCUQOG-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@H]1CCO1)c1cc(B(O)O)c(F)cn1	2303836753	QUHSHKMUSJGXAS-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@@H]1CN	2317166834	ZVUXQNGKHZEPMB-LDYMZIIASA-N	246.075	-0.646	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2317352012	RMCGDLCCNOLBPJ-PELKAZGASA-N	249.075	-0.862	50	10	BBGE	
C[C@@H](NC(=O)C1(O)CC1)c1cccc(B(O)O)c1	2317841162	BLVLLSGQZKFGRT-MRVPVSSYSA-N	249.075	-0.932	50	10	BBGE	
CC(=O)NC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@H]12	44005257	FGPZPYNCWJUZRO-OFHVYEONSA-N	239.227	-0.630	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccccc1F	49533215	WSSXZOWITZHQMP-ZCFIWIBFSA-N	225.223	-0.007	50	10	BBGE	
CC(CO)(CO)NC(=O)CBr	58847062	WYWVADVHWJWIQJ-UHFFFAOYSA-N	226.070	-0.759	50	10	BBGE	
CC[C@@H](C(=O)NN)n1ccc(C(=O)N(C)C)n1	70327657	SPLKAFSTQJJSRI-QMMMGPOBSA-N	239.279	-0.474	50	10	BBGE	
C[C@H]1COCCN1[C@@H](C)CC(=O)NN	82467556	QAAFCYCRBWDMNS-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](O)CN(C)Cc1ccoc1C(=O)NN	82468147	OAAFZDRNFCCQNV-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
CN(CCC(=O)NN)CC1(N(C)C)CCC1	97933561	VXBLWPUVWYXGFT-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CN(C)Cc1cc(CN(C)C)cc(B(O)O)c1	196203040	ZVKPIOOFHKGQKH-UHFFFAOYSA-N	236.124	-0.510	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(C)=O	203301745	CLFACBNCDLNNLH-UHFFFAOYSA-N	209.010	-0.667	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	227842647	MKVJSDFMRJEVNS-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)c1cccc(C#N)c1	232419450	GXDFWQGZCUAHCD-NSHDSACASA-N	248.286	-0.001	50	10	BBGE	
CCOC(=O)N1CCC(=NNC(N)=O)C1	263591258	QDUYFSUORZOSBH-UHFFFAOYSA-N	214.225	-0.127	50	10	BBGE	
COC[C@H](S[C@@H]1CCO[C@H]1C)C(=O)NN	300340796	YLAUMXWROMRHNZ-RNJXMRFFSA-N	234.321	-0.098	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1CCCC(=O)NN	304474043	AXNNFHOXTYZMKH-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
O=C1[C@@H]([N+](=O)[O-])CNC[C@H]1Br	306286189	KIQVKMLNAGWHKX-DMTCNVIQSA-N	223.026	-0.433	50	10	BBGE	
O[C@H]1[C@H](O)[C@](O)(CF)O[C@H]1CCl	307224870	CAAAXHGJVWQXJB-FSIIMWSLSA-N	200.593	-0.996	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	308863067	KGWIMVHUSRSJKM-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CN(Cc1nncn1C)C[C@@H](O)CCl	379499137	HCAQAOMZMBALNW-ZETCQYMHSA-N	218.688	-0.153	50	10	BBGE	
CCOC(=O)CO[C@@H]1CNNC(=O)[C@H]1Cl	379845863	HVVPPNLGUXISRO-VDTYLAMSSA-N	236.655	-0.824	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN2CC[C@H]1C2	381682100	CARZCSPPUKQTMA-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@]1(O)CCCC(=NNC(N)=O)[C@@H]1O	383921442	KOLJHRKQGBHBCP-XPUUQOCRSA-N	201.226	-0.694	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCCCO	384822780	OQDDBJJFKYMEKX-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCCn1ccnc1	386241680	PAOQYRAWDLHIGO-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CCCC[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396457404	KOYPAQSZRSJMQL-RYUDHWBXSA-N	237.108	-0.083	50	10	BBGE	
O=C1C[C@@H](CNS(=O)(=O)CCCl)CN1	398309315	ROEXMOLEANHMEH-ZCFIWIBFSA-N	240.712	-0.719	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)CC[C@H]2C1	398875269	VWYOVHOWZUVXFA-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CCCC1=O	405362934	GJOWVUWLYBGWPG-UHFFFAOYSA-N	247.682	-0.327	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1CCBr	575471901	UOBLDJPVFHJPEZ-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
C[C@H]1CCN(S(=O)(=O)N(C)C)C[C@H]1N=C=O	693473639	FVHKCWFVXXXZAL-DTWKUNHWSA-N	247.320	-0.161	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](CC(C)C)C(=O)NN	695061960	PNAHUOFENNQNCQ-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
OB(O)c1ccc(OCCN2CC[C@@H]3C[C@H]32)cc1	707088510	NPNAEOMEXNNVKM-ZWNOBZJWSA-N	247.103	-0.161	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1	709324495	IFDWQQJRHLTGAD-SFYZADRCSA-N	238.243	-0.416	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C[C@@H](C)O	709384233	GTXZYRDTRCHUMX-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)O[C@@H](C)C1	709921247	XDBSZWKYOHYYIM-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](O)(CC)C1	710210207	PAANXLGXYYAOFL-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
O=C(CO)NNC(=O)C(=O)c1ccc(F)cc1	758543890	SQDKYRWXNOTDOV-UHFFFAOYSA-N	240.190	-0.852	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNC(=O)[C@H]1CCCO1	814342584	LFTMSRPLUQCTMN-SSDOTTSWSA-N	238.247	-0.342	50	10	BBGE	
O=[S@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCl	846013416	BJEPGRXATLRSPC-WPOIXZHQSA-N	243.737	-0.282	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(CO)OC	848267879	VHURBWMXUAUHKP-WDDYJBPVSA-N	242.275	-0.056	50	10	BBGE	
O=C(NNc1ccncn1)c1cc(O)ncn1	1161352276	QRGSYLAXZFNEGE-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H](C)CC(N)=O	1295485845	NIIGRDBMGLNFDL-ZCFIWIBFSA-N	230.268	-0.810	50	10	BBGE	
CC(=O)NNC(=O)CCc1ccc(C(N)=O)cc1	1463829984	UITGGHVAJAMDOB-UHFFFAOYSA-N	249.270	-0.115	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1(C#N)CCOCC1	1544265920	VYJBVCGWLUAAMT-UHFFFAOYSA-N	240.263	-0.391	50	10	BBGE	
Cn1cncc1C(=O)NNC(=O)c1cn[nH]c1	1623390569	UYXYOXCTZJKESH-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cnn[nH]1	1627298338	KLWCDUJECNFQLN-GSVOUGTGSA-N	231.162	-0.779	50	10	BBGE	
O=C(NNC(=O)c1ncon1)C1=COCC1	1648112346	PAVUBGQCRKBKHO-UHFFFAOYSA-N	224.176	-0.865	50	10	BBGE	
NC(=O)CCNC(=O)[C@@H]1C[C@@H]1Br	1877403781	YROONUUQBAWQCQ-UHNVWZDZSA-N	235.081	-0.239	50	10	BBGE	
O=C(CCl)N1CC[C@@H](O)C[C@H]1CO	1877821355	XEZXXILYQCDAQV-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
CC(C)NC(=O)NN(C)S(C)(=O)=O	1888572620	XNWAZUXKWNDUFP-UHFFFAOYSA-N	209.271	-0.500	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccccc1B(O)O	1899974620	ZXMFDCWPIHXUNO-QMMMGPOBSA-N	219.049	-0.399	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ncsc2C1	1900860920	XPQXTEGMVZVYFF-YFKPBYRVSA-N	212.278	-0.163	50	10	BBGE	
CN(NC(=O)c1ccc(O)cc1)S(C)(=O)=O	1901358318	ARXYGYJGESTIHL-UHFFFAOYSA-N	244.272	-0.072	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@]23COC[C@H](C2)C3)C1	1902511244	FTGLDNFMFAISOV-GARJFASQSA-N	225.097	-0.038	50	10	BBGE	
CN(C[C@@H](O)CCl)S(C)(=O)=O	1913482785	LUWLNLLTDVCWHF-YFKPBYRVSA-N	201.675	-0.523	50	10	BBGE	
CC(C)C(=O)Nc1ncccc1B(O)O	1913618032	BODZJZHYXGWHOH-UHFFFAOYSA-N	208.026	-0.644	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1CC12CC2	1913623591	RMZQENIQDMLQBY-SSDOTTSWSA-N	232.048	-0.500	50	10	BBGE	
C[C@@H](CCC(F)(F)F)NC(=O)C(=O)NN	1927769639	PQSWGJIUCGGGBA-BYPYZUCNSA-N	227.186	-0.177	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)OC	1928678452	UGXRYJDHJNOKFR-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](C#N)CC1	1928982949	SAYMFXIYAPTJGV-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929913753	WGOOALJAYCQERR-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@H]1COC[C@H]1N	1930129903	GCPMWDASCFQCQQ-RQJHMYQMSA-N	217.269	-0.258	50	10	BBGE	
CO[C@@H](CNC(=O)NN)[C@@H]1CCCOC1	1930526641	XYXRJYJYHPNXKP-SFYZADRCSA-N	217.269	-0.399	50	10	BBGE	
CN(C)C[C@@H](CO)N1C[C@@](C)(CCl)C1=O	1931734986	LRHUFZPWQMQDQW-WCBMZHEXSA-N	234.727	-0.004	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2CC[C@@H]21	1931927029	MJCVOBMYEIRHFD-BQBZGAKWSA-N	201.295	-0.444	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCCCO1	1932337838	LEWLWAOXROIFNL-SSDOTTSWSA-N	215.253	-0.948	50	10	BBGE	
COC[C@@H](COC[C@@H]1C[C@H]1C(=O)NN)OC	1936091777	OOXMRGLAQDLPJM-XHNCKOQMSA-N	232.280	-0.710	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@H](C2)C3(F)F)CC1	1938247167	PRRJGQKUZOGGBC-KNVOCYPGSA-N	231.246	-0.047	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C[C@@H]1C[C@H]1C(=O)NN	1941084498	YDOAEVKCISPKQN-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(n2ccnc2)C1	1941087097	VJAGWFXDXLFSEE-WCBMZHEXSA-N	235.291	-0.634	50	10	BBGE	
COCC[C@H]1CN(C[C@@H](C)C(=O)NN)CCO1	1943667963	DEGXVBLARIXHDM-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@H]1CO	1944080952	VQCHGWWMFOSWKQ-WDEREUQCSA-N	235.287	-0.216	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H](F)[C@H](O)C1	1944307838	KWFRXFOMRUBOJY-JGVFFNPUSA-N	243.238	-0.602	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	1947069909	LEYNOAZWGJMOPS-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NCC(Cl)Cl	1953766009	DSECDQVZGFFKHA-WUJLRWPWSA-N	215.080	-0.386	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNCC(C)(C)O1	1955584430	ZMWZVSWXLBSBGV-ZETCQYMHSA-N	201.270	-0.654	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CCC(=O)NN)C2	1960278465	LBOIBVAKGFTFOD-SCZZXKLOSA-N	213.281	-0.665	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C(C)(C)C	1961675643	GIUGMJWRUQHVFD-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
C=C1CON(c2ncccc2B(O)O)C1	1961695561	FZHSZWGDJGERDM-UHFFFAOYSA-N	206.010	-0.931	50	10	BBGE	
CSCCSc1nc(C)ncc1B(O)O	1961706685	YLWGOTHWMMRGGD-UHFFFAOYSA-N	244.150	-0.080	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2C)n1	1961718641	RIZCAOFYBCNIGZ-ZCFIWIBFSA-N	207.042	-0.937	50	10	BBGE	
CN(C)CCCOCC(F)(F)C(=O)NN	1974680332	YOJIGLZQYPWROF-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
C[C@@]12CC[C@@](C(=O)NNC(N)=S)(CO1)C2	1975069849	DTHZNUCGIZTGOL-IUCAKERBSA-N	229.305	-0.190	50	10	BBGE	
NNC(=O)C(=O)NCCCOC1CCCC1	1976756546	VOSDLPUCFIEAAV-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
Cc1nc(O[C@@H](C)C(C)C)ncc1B(O)O	1981420894	RTRNCWSPDFEFHK-QMMMGPOBSA-N	224.069	-0.112	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]1[C@H](C)O	1985571142	GPKMRXHFLLSIOZ-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
CC1(C)C[C@H](CO)CN1CCCC(=O)NN	1986378497	NFFMNVSVGMMTOH-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C=C[C@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1990540967	WUQAWBGNXYWXHF-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
CO[C@@H](C(=O)NCC=CB(O)O)C1CCC1	1991326235	DUKHIRLTCSMGEV-SECBINFHSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@@H]2CNC[C@H]21	1991662373	KOSLBFXGZPVCQI-HTQZYQBOSA-N	244.678	-0.493	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C3(CCC3)C2)CC1	2000816014	ZCBVCCRBQUQNRR-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](CCOC)COC	2001430114	XDIDBJZYVKLVRB-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)[C@H](C)C(=O)NN)o1	2004410513	ZDNDSPBZLYOIOH-NKWVEPMBSA-N	241.295	-0.176	50	10	BBGE	
Cc1ncnc(N2[C@@H](C)CC[C@@H]2C)c1B(O)O	2004975294	WVYBTVRTPWFVNF-YUMQZZPRSA-N	235.096	-0.158	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)O[C@H](CCO)C1	2009334133	FCUMKNRBDIEZKW-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC(CO)C2)C1	2013607777	DVFFPGAKFDMPLF-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
CC1CCN(C2CN(CCC(=O)NN)C2)CC1	2014764482	FACOKYXZEMXTMK-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCN(C)C(=O)C1	2014834409	PPVMGZFCZHJPLA-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
Cn1cncc1C(=O)N[C@H]1CCC=C1B(O)O	2020061980	MPTVHVONEWZEIO-QMMMGPOBSA-N	235.052	-0.749	50	10	BBGE	
CC1(COc2cc(F)ccc2B(O)O)COC1	2021345370	LQLUYTPZFDPNRC-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CCC[C@H]1COC2	2021404183	LNFAWAUFLYJJCS-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
Cc1ccnc(N2CC(CN(C)C)C2)c1B(O)O	2052470255	BGICVIRKBJCQKM-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N(C)C)C2)c(B(O)O)c1	2052626384	VAMFMEGCILNNKO-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CCC(=O)Nc1ccc(OC)cc1B(O)O	2211851030	SRCHNRKFULRQPH-UHFFFAOYSA-N	223.037	-0.277	50	10	BBGE	
C[C@H]1C[C@]1(F)CNc1ncccc1B(O)O	2212612264	JDENUHUNMPOFQG-XVKPBYJWSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCC[C@H](O)C2)nc1	2217176849	BDVGRCVXQKVTRI-UWVGGRQHSA-N	236.080	-0.523	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cn1)C1CCC1	2217178364	VEQFWCWWTCFCNS-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
Cc1c[nH]c(=NCCC(C)(C)O)cc1B(O)O	2217180460	TWROQBNFBCTWQU-UHFFFAOYSA-N	238.096	-0.935	50	10	BBGE	
CC[C@@](C)(CN)N(C)c1ccc(B(O)O)cn1	2217181355	ORNNRAIVMGJOCL-NSHDSACASA-N	237.112	-0.675	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Nc1ccc(B(O)O)cn1	2217182699	GKGDYCWTZAITRS-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
CC(C)[C@@H](Nc1ncc(B(O)O)cn1)C(F)F	2217183045	IRYHBFLAPBJYKW-SSDOTTSWSA-N	245.038	-0.142	50	10	BBGE	
CC[C@H]1CNC[C@H]1Oc1cc(B(O)O)ccn1	2217189489	DWISYIIJDDZHHM-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
C=CC[C@@H](CO)CNc1cc(B(O)O)ccn1	2217199030	JNUXAYCEHXUZGG-SECBINFHSA-N	236.080	-0.642	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2223643413	VRUNMKDEKWLWRR-JOYOIKCWSA-N	247.107	-0.921	50	10	BBGE	
Cc1cnc(OC[C@@H]2NC[C@@H]3C[C@@H]32)cc1B(O)O	2223649239	VXQMLCYSJDJCTF-QXEWZRGKSA-N	248.091	-0.943	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3CC[C@@H]3C2)[nH]c1	2223668362	WGVPTEHNQKKGML-ILWJIGKKSA-N	247.107	-0.574	50	10	BBGE	
CCSCCNC(=O)C1(B(O)O)CC1	2241473440	KIPOOSKOVNBBER-UHFFFAOYSA-N	217.099	-0.137	50	10	BBGE	
OB(O)C1CCN(C[C@H](O)CF)CC1	2241742146	WDEMVOZYTRYTEJ-MRVPVSSYSA-N	205.038	-0.744	50	10	BBGE	
CON(C(=O)c1ccoc1B(O)O)C(C)C	2243356766	MOVMMJALUMJCQM-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
CO[C@H]1C=C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243368393	HUOJSXXNCRXBJW-SFYZADRCSA-N	225.053	-0.547	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243392443	TZVIVLWWNANNTO-XSPKLOCKSA-N	226.085	-0.942	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243396195	IXWZBHPXZYUETL-XKSSXDPKSA-N	227.069	-0.920	50	10	BBGE	
N#CCNC(=O)c1cc(Cl)cc(B(O)O)c1	2243398778	UQAXJVSMRMPCFS-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@]2(C)C[C@H]12	2243399428	LXZZEIWPPMXZFU-KKZNHRDASA-N	221.065	-0.351	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243405044	YNWQZSRYGMILKV-IUCAKERBSA-N	220.037	-0.468	50	10	BBGE	
N#CC1CN(C(=O)c2sccc2B(O)O)C1	2243406710	DBVMIXGUVJYYLL-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccsc2B(O)O)[C@H]1C	2243409056	AHYMAUXKHVIFBM-WDSKDSINSA-N	239.105	-0.188	50	10	BBGE	
C=CCN(CCOC)C(=O)C1(B(O)O)CC1	2243409498	IYWFVWQUZLFMDQ-UHFFFAOYSA-N	227.069	-0.346	50	10	BBGE	
CC1(C)COCCN1C(=O)C1(B(O)O)CC1	2243410173	WMDLQJNOWZXQIJ-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)[S@](C)=O	2243413421	FYHFPRNZWNYJJV-UYDAKAKISA-N	247.125	-0.877	50	10	BBGE	
C#CC(=O)N(C)[C@H](C)c1cscc1B(O)O	2243666554	AOQXBZKUUAEOIP-SSDOTTSWSA-N	237.089	-0.420	50	10	BBGE	
CC#CC(=O)NCc1sc(B(O)O)cc1C	2243667800	KVBXEMOAKLFLSF-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(=C2CC2)C1	2243677482	WTZWAEUWSFPAMH-UHFFFAOYSA-N	219.049	-0.382	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@@H](C)[C@H](C)C(=O)NN	2245131955	IQNWDBVJYXPOQN-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)CC(F)F)n1	2247152555	KXTCSGWVGJYVGO-UHFFFAOYSA-N	246.022	-0.529	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2247731931	AXUHSMSZBQYROH-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CCC(CO)CC1	2247744743	XNEKJSAUEQYTJQ-UHFFFAOYSA-N	239.080	-0.989	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N1CCCC1	2247807905	SCEJJHDEHMDOGB-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CC[C@]12CCCO2)[C@@H]1C[C@H]1B(O)O	2247810085	UPSDQAITGDVIIC-TURQNECASA-N	239.080	-0.323	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810379	XACJLXNVIQZWQH-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2OCC[C@H]2C1	2247849830	FYAGWSZHJFCFMU-UWVGGRQHSA-N	237.064	-0.971	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)CC12CCC2	2247855686	WRZYFRYHVKKHDQ-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)c(F)c1	2247867564	ICBMRTZCOKMJIP-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cncc(B(O)O)c1	2247869346	PXNPMCSJIVFCPQ-OIBJUYFYSA-N	234.064	-0.710	50	10	BBGE	
CC1(NC(=O)c2cncc(B(O)O)c2)CCC1	2247869630	VYDDGMWUVKVFGU-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
C[C@H]1CNC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247873452	JQGRFDDTLITAQP-RKDXNWHRSA-N	240.112	-0.645	50	10	BBGE	
C#CCCNC(=O)c1ccc(F)cc1B(O)O	2247876546	RCGJSMSQRXVFPY-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1CO	2247895214	QBUCCNOHMVFMFR-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
CN1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C(C)(C)C1	2247895918	VYEXXKGYOCKCDZ-CIUDSAMLSA-N	240.112	-0.694	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247898721	HGZAGXFAMMQQSO-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2CC[C@H]2C1=O)C(=O)NN	2248080622	IPJBJIGALYWRCL-RNFRBKRXSA-N	239.275	-0.603	50	10	BBGE	
O=C(Cc1cc[nH]n1)N[C@H]1CCC=C1B(O)O	2248396144	VZAZOMOKMUAAFW-VIFPVBQESA-N	235.052	-0.831	50	10	BBGE	
C#CC(=O)N1CCCc2c(B(O)O)cccc21	2248430273	WTASWZYJTPFNJL-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1c1ncncc1B(O)O	2248687446	DBSLAJSPIBFDFN-HTQZYQBOSA-N	233.080	-0.609	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1cocc1B(O)O	2249422651	RFLZHVCLQDWYAK-XCBNKYQSSA-N	235.048	-0.512	50	10	BBGE	
O=C(NCCC#CB(O)O)C1CC(C2CC2)C1	2250002572	MYKVJWDRXXMIIM-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC[C@@H]2C)n1	2255487567	REWHXGOEZONGBB-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(F)c(B(O)O)c1	2255499777	DSSNYMXKQNMGPK-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
Cc1ccnc(C(=O)NC2[C@H](C)[C@H]2C)c1B(O)O	2255581921	RXDTUJVKYZAWNC-HTQZYQBOSA-N	248.091	-0.546	50	10	BBGE	
CCn1nc(C)cc1CN(C)C(=O)C#CB(O)O	2255670854	JHFHUYVBQQHQQV-UHFFFAOYSA-N	249.079	-0.815	50	10	BBGE	
O=C(Nn1cccc1)c1cc(B(O)O)ccc1F	2255689135	GEZCFKPADAKXMY-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)c(OC)c1	2255765883	VXRZQNITEHLVAG-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C=CCC(=O)N1CCc2ccc(B(O)O)cc2C1	2256640014	GUNITMOBMITKAP-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1cccnc1	2258138631	MLBJLUWHJPABBZ-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2COC[C@@H]21	2298165511	GOUHGHLXLDXZFL-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)[C@@H]1C[C@H]1B(O)O	2298376485	YJLDWBCHSKIPMW-VAPHQMJDSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)CN	2298377196	IDAFCFFTWAHMLQ-SJQPAMGKSA-N	240.112	-0.707	50	10	BBGE	
CCN1[C@H]2CC[C@H]1CN([C@H](C)CC(=O)NN)C2	2299131621	MIJWVSFYQOZYRD-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
C#CCN(CC)c1ccc(B(O)O)cc1C#N	2301344569	YVWXNKAJRCLLEA-UHFFFAOYSA-N	228.060	-0.302	50	10	BBGE	
C[C@H](COc1ccccc1C(N)=O)C(=O)NN	2301605942	RJRNICADCKFGOR-SSDOTTSWSA-N	237.259	-0.210	50	10	BBGE	
CN1CCC(C(=O)N2CC[C@H](B(O)O)C2)CC1	2303106564	VCTLEWCYFZNZTQ-JTQLQIEISA-N	240.112	-0.597	50	10	BBGE	
C[C@]1(C(=O)O)C[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303112054	PAFNSZBQKJLZGC-XSSZXYGBSA-N	241.052	-0.828	50	10	BBGE	
COCc1nc(CN2CC[C@H](B(O)O)C2)no1	2303153437	DAZMCHZCJHVUQX-ZETCQYMHSA-N	241.056	-0.735	50	10	BBGE	
CC[C@](C)(Cn1nc(C)ccc1=O)C(=O)NN	2303437186	HVRGZFUCGNYKIW-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848027	SEPDNLXCNKIKGY-WCBMZHEXSA-N	240.043	-0.510	50	10	BBGE	
CC(C)[C@H](CN)Oc1ccc(B(O)O)cc1C#N	2317209351	QKGVIGOAOCHLEW-LBPRGKRZSA-N	248.091	-0.400	50	10	BBGE	
Cc1nccc(C(=O)N2CC[C@@](C)(B(O)O)C2)n1	2319681417	ZXYVBRXJWHZBFS-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
COC1CCN([C@H](C)C(=O)NN)CC1	82467380	OKTNJJWSSZZUCY-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](O)CN(C)[C@@H](C)CCC(=O)NN	82470800	NMRWBVMKVXXKQQ-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCN(C)C	82544093	XIZNQRGOCFSVFC-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CSCC[C@H](C)N	85317652	DYFCXQNIYXLDCR-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
CC(C)(CN1CCC[C@@H](N)C1)C(=O)NN	86597922	OQCUOPDFFMVVRK-MRVPVSSYSA-N	214.313	-0.574	50	10	BBGE	
CC(C)(Cn1cnc([N+](=O)[O-])n1)C(=O)NN	86598150	KQJDYBZNIBNMOC-UHFFFAOYSA-N	228.212	-0.798	50	10	BBGE	
O=C(CCBr)NC[C@@H](O)CO	168484578	XMRZJEOGEKSBSV-RXMQYKEDSA-N	226.070	-0.759	50	10	BBGE	
OB(O)c1cocc1I	206049956	SKAHJBMECDKSPB-UHFFFAOYSA-N	237.789	-0.436	50	10	BBGE	
COC(=O)c1nc2ccc(B(O)O)cc2o1	206067330	NUMQQDVHTHYUGE-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
O=C(CNS(=O)(=O)CCCl)NC1CC1	232295106	FHYVMDLLDLFKPC-UHFFFAOYSA-N	240.712	-0.577	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(F)(F)F	232419292	QFEUSXKCADSHOM-RXMQYKEDSA-N	229.202	-0.515	50	10	BBGE	
CNC(=O)CCc1ccc(B(O)O)cc1	238326825	SYRPSHBDUUNFPD-UHFFFAOYSA-N	207.038	-0.955	50	10	BBGE	
COCCc1ccc(OC)c(B(O)O)c1	238332075	BUTCOBYOJKYBJK-UHFFFAOYSA-N	210.038	-0.436	50	10	BBGE	
OB(O)c1cnc(-c2cscn2)nc1	238654204	KZNXQKFMJIOTCJ-UHFFFAOYSA-N	207.023	-0.720	50	10	BBGE	
N[C@@H](CCC(=O)NCCCl)C(=O)O	238664960	HJPUQBKZBSMLNF-YFKPBYRVSA-N	208.645	-0.467	50	10	BBGE	
OB(O)c1c(C[C@@H]2CCCN2)ccc2c1OCO2	258374036	NBQKZHAVCHUKKR-VIFPVBQESA-N	249.075	-0.610	50	10	BBGE	
Cc1cc2c(cc1[C@@H](N)C(=O)NN)OCO2	259030704	RHKKUMYMYORDHP-SECBINFHSA-N	223.232	-0.287	50	10	BBGE	
O=C1C[C@]2(CC(=O)N3CCC[C@@H]32)C(=O)O1	300947453	FCRGMYQWEDLTKY-LDWIPMOCSA-N	209.201	-0.159	50	10	BBGE	
O[C@]12CO[C@H]([C@H]3O[C@@H]31)[C@H](Cl)[C@@H]1O[C@@H]12	306233375	LOFKFQJINDDDOR-SCSDYMDOSA-N	204.609	-0.728	50	10	BBGE	
Cc1ccc(CN2CCC2)cc1B(O)O	306305701	MCRGQEAWYUOXBN-UHFFFAOYSA-N	205.066	-0.119	50	10	BBGE	
OC[C@H]1CN(CCBr)C[C@H]1O	306474695	WANWVGPVGOILOY-RNFRBKRXSA-N	224.098	-0.334	50	10	BBGE	
NC(=O)c1cnn(C[C@H](O)CCl)c1	308207987	UUXGDDHWSPEALD-ZCFIWIBFSA-N	203.629	-0.418	50	10	BBGE	
CCCC(=O)NNC(=S)NCC(=O)O	379506276	QFKRMUIGKNCCJB-UHFFFAOYSA-N	219.266	-0.634	50	10	BBGE	
O=C(CCCl)NCCn1ncnn1	379829576	WUYZRJPCPHJPIP-UHFFFAOYSA-N	203.633	-0.582	50	10	BBGE	
C[C@H](N=c1[nH]c(CCCl)nc(=N)[nH]1)[C@@H](C)O	387052062	UBXINTVYGPJANU-NTSWFWBYSA-N	245.714	-0.331	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@]1(C)CN	389744064	WUHXUIMQVXHJGA-SCZZXKLOSA-N	214.313	-0.717	50	10	BBGE	
OB(O)c1cnn(CCOCc2ccccc2)c1	390747495	QUQHIVTZQKWWJF-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
CN(CCO)[C@H](C(=O)NN)C(C)(C)C	395591289	KTVVTAOHXKBPIK-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
CCOC(=O)c1nc2cc(B(O)O)ccc2o1	396099967	SDLFOBBVIQJRCL-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC[S@@](C)=O	399890862	HMMDDUXHUIEGRD-VXJOIVPMSA-N	235.353	-0.545	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1cccc(B(O)O)n1	405033642	QQTUKCJIESVVHK-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC(C)(C)NC(=O)Nc1cccc(B(O)O)n1	405144087	KJSAUVYOQPFQTE-UHFFFAOYSA-N	237.068	-0.319	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C(=O)O1	688530940	WQUHSAJUFNKODL-LURJTMIESA-N	201.226	-0.403	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(CC(=O)NN)C1	688957740	IFRVXXQNCKAWQS-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@]12COC[C@H]1C2	689152940	FQIWPONAZFJBCS-PELKAZGASA-N	247.059	-0.659	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@]12COC[C@@H]1C2	689288710	RPPSSQSIHLXCNI-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
CN(CCOC(C)(C)C)CC(=O)NN	690106881	NQRPJASPOFVNBO-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
CN(C)C[C@H](Cl)CN(C)Cc1nnn(C)n1	690171614	OIWUFGHAIJEOMR-QMMMGPOBSA-N	246.746	-0.189	50	10	BBGE	
CC(C)[S@@](=O)Nc1cccc(B(O)O)c1F	702061459	MQZZMRRMPVQROD-MRXNPFEDSA-N	245.084	-0.011	50	10	BBGE	
C[C@H](CN1CCNC(=O)CC1(C)C)C(=O)NN	708107037	GPWHWWPLPSBQPA-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC([C@H](C)O)C1	719808359	SZXPZWVIFPBAOI-XPUUQOCRSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@]1(C)CO	723000922	UAWDWGIXSWRVQF-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
CCC1CN(Cc2nsc(C(=O)NN)n2)C1	724344887	DFCLTHFGONGLCK-UHFFFAOYSA-N	241.320	-0.017	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@H](CO)C1	725627996	APZGYKAQJDMZLJ-DSYKOEDSSA-N	207.657	-0.575	50	10	BBGE	
CC(C)CCC(=O)NNC(=S)NCC(N)=O	727289841	KHJMAGNTHHKOPC-UHFFFAOYSA-N	246.336	-0.597	50	10	BBGE	
CNC(=O)NN=C1CCC(=O)NC1(C)C	792983910	CNPSURJLGSGNTF-UHFFFAOYSA-N	212.253	-0.040	50	10	BBGE	
C[C@H](CO)[C@H]1CCCCN1CC(=O)NN	829253561	QJPBSUKSPXWAKC-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
Nc1cccnc1C(=O)NNC(=O)C1CC1	864443841	LIZCDJADUZTWRM-UHFFFAOYSA-N	220.232	-0.165	50	10	BBGE	
Cn1cnc([C@H]2C(=O)NC(=O)[C@@H]2Cl)c1	886012096	YSEYXOBSKZIYIV-PHDIDXHHSA-N	213.624	-0.233	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)C[C@@H](C)O	910139485	AHIHLFYYTVTRGR-VWFQECGMSA-N	202.254	-0.733	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CC1	929231670	JMAZSHOVCXWUTJ-KGDYZURWSA-N	236.271	-0.033	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C#CC1CC1	1138284191	FMEOFWSMHCVQLB-UHFFFAOYSA-N	210.233	-0.682	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C=O)n(C)c1	1292011018	SDYUBQCZMAMUOO-UHFFFAOYSA-N	224.220	-0.589	50	10	BBGE	
CCO[C@@H](C(=O)NNC(=O)NC)[C@H]1CCOC1	1351758162	VIIFYCUZRXBNAN-JGVFFNPUSA-N	245.279	-0.612	50	10	BBGE	
CCCCNC(=O)NNC(=O)CCC(N)=O	1442294770	JMXQGECOPFQKNU-UHFFFAOYSA-N	230.268	-0.618	50	10	BBGE	
CCN(CCO)NC(=O)CCCCCO	1452328553	ICVSISUETNEXFH-UHFFFAOYSA-N	218.297	-0.116	50	10	BBGE	
O=C(NNc1ccnc(Cl)c1)C1(O)COC1	1453114009	YWDKYTRPHPCMAG-UHFFFAOYSA-N	243.650	-0.061	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cnccn1	1470051054	YOQSNMRVRPUBTE-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CCc1cc(C(=O)NNC(=O)C(C)(C)O)no1	1556228071	AQFNHGYNVDMQBD-UHFFFAOYSA-N	241.247	-0.231	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C[C@H]1COC(=O)C1	1623762658	RCMWGMGLXRKSFC-SSDOTTSWSA-N	243.263	-0.368	50	10	BBGE	
O=C(O)[C@H](O)CNC1CC(Br)C1	1880963798	ADWFIJCCABHKGR-JMMWHDCWSA-N	238.081	-0.053	50	10	BBGE	
N[C@H](CO)CNC(=O)C1CC(Cl)C1	1883634930	PXZBFLHLBFFDSY-AHXFUIDQSA-N	206.673	-0.560	50	10	BBGE	
C=C(Cl)CONC(=O)[C@@H]1C[C@H]1B(O)O	1886305035	GJXLGTYHRKGMOX-PHDIDXHHSA-N	219.433	-0.350	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(F)(C#N)C1	1888381088	GCLBSAKEORLAEJ-ZCFIWIBFSA-N	200.217	-0.698	50	10	BBGE	
O=[S@](NCC#CB(O)O)C1CCCC1	1895048671	CEZDTYGRUZOYLH-AWEZNQCLSA-N	215.083	-0.802	50	10	BBGE	
C=C(CN(C)Cc1cnns1)B(O)O	1895239857	SHQSGOXWHGZLNT-UHFFFAOYSA-N	213.071	-0.462	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H]3[C@H]2CO)CC1	1897339378	FVKFKGMEUCJNPY-XHNCKOQMSA-N	225.292	-0.931	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3C[C@@H]32)c1B(O)O	1899254675	ZGIVZHNGOHDAJD-SFYZADRCSA-N	219.053	-0.937	50	10	BBGE	
NNC(=O)N[C@H]1CCN(c2cnccn2)C1	1900684712	UORFABHPTZNDII-ZETCQYMHSA-N	222.252	-0.772	50	10	BBGE	
CCNCCC(=O)NN(C)S(=O)(=O)C1CC1	1901340420	DPJSNGHBCWDWOJ-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
C#CCCCS(=O)(=O)N1CC[C@H](B(O)O)C1	1902511201	GVUJKPBRFKQQHO-VIFPVBQESA-N	245.109	-0.722	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@H]2CCS(=O)(=O)C2)C1	1902530469	ZDXUOFWDFROJDH-IUCAKERBSA-N	247.125	-0.888	50	10	BBGE	
O=C1C[C@@H](NC(=O)[C@@H]2C[C@@H]2Cl)C(=O)N1	1905558852	NBUDVUZSMMROOP-MROZADKFSA-N	216.624	-0.855	50	10	BBGE	
C[C@H](Cn1cc(Cl)cnc1=O)C(=O)NN	1912222002	TVMOVTIRIWRMGU-RXMQYKEDSA-N	230.655	-0.477	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)C1(C)C	1914329664	BOLSQUZRVPXNDJ-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
CON1CCN([C@@H](C(=O)NN)C(C)(C)C)CC1	1915712761	GXIVAJGKXXPVDK-VIFPVBQESA-N	244.339	-0.430	50	10	BBGE	
COC(=O)CCSC[C@@H]1C[C@@H]1C(=O)NN	1927918694	WCYSTJOIAZXFHS-BQBZGAKWSA-N	232.305	-0.091	50	10	BBGE	
C[C@@H]1CCS[C@@H]1C(=O)NNC(N)=O	1930926555	HLCAYPYBAYTBAX-UHNVWZDZSA-N	203.267	-0.173	50	10	BBGE	
Cc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	1936081945	NQGCFHXHFXHYCP-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@]1(CCl)CCOC1	1937142786	LIKUJCAJSIPYLA-SECBINFHSA-N	244.682	-0.208	50	10	BBGE	
CO[C@@H]1CN(CCCCC(=O)NN)C[C@H]1F	1937158428	WFJBWWQYPGFEHH-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
COC[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941085931	GHLDRKKHGIMXFD-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](C2CC2)CC1=O	1941088873	HGAPCAMAUZFTSE-LPEHRKFASA-N	237.303	-0.129	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C(C)(C)C1	1945279925	FZEQPFXJQRMYMW-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)CC(=O)NN)n(C)n1	1949603630	VUUKTBMQHYFVGM-VIFPVBQESA-N	239.323	-0.071	50	10	BBGE	
O=C([C@H]1COCCO1)N1CC(Cl)C1	1954057982	SWZBDQTVQDUBGG-SSDOTTSWSA-N	205.641	-0.149	50	10	BBGE	
C[C@H](CCl)CN1CC(O)(C(N)=O)C1	1954822667	SHIAXUIEFIXWLQ-ZCFIWIBFSA-N	206.673	-0.607	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F	1958527154	LFHOJDZBWWMEKX-IUYQGCFVSA-N	225.170	-0.709	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1CNC(=O)C(=O)NN	1960024286	PCFWYYPBOKUMPY-RFZPGFLSSA-N	221.207	-0.616	50	10	BBGE	
Cc1cc(C)n(C2CN(C(=O)NN)C2)n1	1961474028	LHYFKAGESWDEEB-UHFFFAOYSA-N	209.253	-0.060	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1CF	1961513421	UKJVKJKMSDEHRD-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1CF	1961513423	UKJVKJKMSDEHRD-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(C(F)F)C1	1961593793	AQGOLLQVYBYEIP-YFKPBYRVSA-N	223.223	-0.933	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1C	1962492178	ALWMXUHLYBBENR-CIUDSAMLSA-N	215.297	-0.421	50	10	BBGE	
Cc1nnccc1C(=O)N1CC[C@H](B(O)O)C1	1972412143	HLZBDWXZTLTPKA-QMMMGPOBSA-N	235.052	-0.526	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cnn(C)c1	1974785305	KLOPGXWPPZZQKV-ZETCQYMHSA-N	247.707	-0.061	50	10	BBGE	
C[C@@H](CN1CC2(CC[C@@H]2O)C1)C(=O)NN	1975356463	XFCBIFMKPVLIAE-YUMQZZPRSA-N	213.281	-0.931	50	10	BBGE	
OB(O)C=Cc1cc(-n2cncn2)ncn1	1975854713	FZSQVWBZOGMLGV-UHFFFAOYSA-N	216.997	-0.918	50	10	BBGE	
Cc1ccc(B(O)O)c(OCS(C)(=O)=O)c1	1978303079	KTSFIQUEGVKLKO-UHFFFAOYSA-N	244.077	-0.944	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@]1(CO)C(=O)O	1980295864	BAAPFRXWRRCUFC-SECBINFHSA-N	231.252	-0.916	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNCCO)[C@H]1C(=O)O	1980927828	AHLVWVWIOFTRIG-RQJHMYQMSA-N	230.264	-0.654	50	10	BBGE	
OB(O)c1cncnc1OC1CC(CF)C1	1982814259	JDOMOYRGCXKECC-UHFFFAOYSA-N	226.016	-0.717	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CCO2)C1	1984128324	MZNSCXUFZRAIDU-UHFFFAOYSA-N	235.234	-0.524	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@H](C(=O)NN)C(C)(C)C	1985570884	DHPWFENOMJKHKR-DJLDLDEBSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCCN2C)C1	1987150381	ZTMKAHSLVXIYJY-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@H]2CNC[C@@H]21	1991662375	KOSLBFXGZPVCQI-YUMQZZPRSA-N	244.678	-0.493	50	10	BBGE	
N[C@@H]1C[C@@H](CNC(=O)/C=C/C(=O)Cl)C[C@@H]1O	1991716545	LHILKLBISQUPFW-GMCWOFSTSA-N	246.694	-0.478	50	10	BBGE	
C=C(CN(C)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12)B(O)O	1995623262	GTMGXJYIJVELSF-KPDDLDGQSA-N	219.093	-0.003	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@]12CC[C@H]1C2	1996647327	KZLRCXNCQDFLFO-CPCISQLKSA-N	232.048	-0.500	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N(C)C)CC12CC2	1997672134	VMQLVEKXTUCWAZ-UWVGGRQHSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC2(CCC2)CO1	2001711717	YVLCGYQWBIINTQ-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](OCCO)C1	2003872463	NNMRIOWIOVERQD-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
CCC[C@H]1COCCN1[C@@H](COC)C(=O)NN	2003903962	AEVCAUDXDFOGPC-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CN1CCO[C@H](C2CCOCC2)C1	2004403473	YMOWCADXDANXSU-JTQLQIEISA-N	243.307	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CO)C[C@@H]1C	2004910325	VHZJIZGKNHKZFA-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H](C2CC2)C1	2004917490	CKXBMLSJESRMHV-SECBINFHSA-N	233.080	-0.607	50	10	BBGE	
Cc1cc(Sc2cnn(C)c2)ncc1B(O)O	2004991166	OKWOFKYXUIGWNQ-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CCC1(N(C)c2nc(C)ncc2B(O)O)CC1	2005017259	BTPQRUURSBUGAG-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CC(C)(C)Cn1cnc2c(B(O)O)ncnc21	2007068723	RNKXTSLNRSTLSO-UHFFFAOYSA-N	234.068	-0.448	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N2CC(C)(C)C2)C1	2007834106	FZIKFWMAYIHPHG-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2011152711	CMAVPEYDCDUYNI-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCn2nncc2C1	2013644762	USSUDMYKSONPHY-YUMQZZPRSA-N	238.295	-0.892	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014825789	SQPFVYSDHFDYNH-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
C[C@@H]1CCCC[C@H]1NC(=O)NCC#CB(O)O	2021105002	NOWXUEFEWCCDLZ-NXEZZACHSA-N	238.096	-0.120	50	10	BBGE	
C=C(Cn1nnc2ccccc2c1=O)B(O)O	2021159323	QXORNGKOKJAKNU-UHFFFAOYSA-N	231.020	-0.640	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccccc1B(O)O	2022195907	CNPQUFZTXBCVJU-VIFPVBQESA-N	233.076	-0.009	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccccc1B(O)O	2022196906	ULHBOPOKJQHTGK-VIFPVBQESA-N	233.076	-0.082	50	10	BBGE	
Cc1cc(N2CC(CN(C)C)C2)ncc1B(O)O	2052473290	VOWMVZNAYZTCIM-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1nc(N2C[C@H]3OCC[C@@H]3C2)ccc1B(O)O	2052620220	QEDHUNIOXGGXRJ-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
CCc1cc(OC)cc(B(O)O)c1[N+](=O)[O-]	2060058968	BZMFVJOFRZXVPF-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
O=Cc1cc(F)cc(B(O)O)c1Cl	2060110005	HTMIKVFHLVSMND-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(B(O)O)c1C=O	2060146444	QUDZEJNBSYKMHF-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
C=C(CN(C)Cc1cccn2cnnc12)B(O)O	2077484434	WVXHNRAYWFZLGU-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1C[C@]12CCOC2	2077648710	NMMMOHMEXCRHHG-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
Cc1ccnn(Cc2ccoc2C(=O)NN)c1=O	2084713755	VKWJSQILZXWRCZ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC1CN(Cc2nscc2B(O)O)C1	2209703258	PSDKJTWWZRLUJD-UHFFFAOYSA-N	212.083	-0.725	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)[C@H]1C[C@@H]1Cl	2210423928	ZZFVWRSTPFMOPT-ABXGFROZSA-N	249.694	-0.807	50	10	BBGE	
CN1CC(N(C)Cc2ccc(B(O)O)s2)C1	2211076903	BGYYKRUJZFCZKJ-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1ncccc1B(O)O	2212600703	FMNHPOSZABBWBM-SFYZADRCSA-N	224.069	-0.667	50	10	BBGE	
CC[C@@H](COC)Nc1ncccc1B(O)O	2212603378	OQQSTIAHFPRBJG-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
CC1(CNc2ncccc2B(O)O)COC1	2212615799	VBDGIUXLIBYYEQ-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213888887	GCXSWIKOEOOEJV-IVZWLZJFSA-N	247.314	-0.204	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1F	2215773648	UAMZIQFTAMQKEF-SGIHWFKDSA-N	245.298	-0.329	50	10	BBGE	
COC[C@]12CCC[C@@H]1CN(C(=O)C(=O)NN)C2	2217080155	GESRIPNCKDWXGO-LDYMZIIASA-N	241.291	-0.749	50	10	BBGE	
CC(C)(C)[C@@H](O)CNc1ncccc1B(O)O	2217177764	MVYVHMLWUSNXPX-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](CO)CCCN=c1ccc(B(O)O)c[nH]1	2217196632	HCTKXSNLMLAFTC-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
OCC1CC(CNc2cc(B(O)O)ccn2)C1	2217200378	KADCAQSARGHFML-UHFFFAOYSA-N	236.080	-0.808	50	10	BBGE	
Cc1conc1CNc1cc(B(O)O)ccn1	2217200752	LQMMGMMJYACXDG-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C[C@@H](CC(F)(F)F)Nc1ncc(B(O)O)cn1	2217201920	GHQOODLZWXDDFB-YFKPBYRVSA-N	249.001	-0.091	50	10	BBGE	
N[C@@H]1CCCN(Cc2cccc(B(O)O)c2)CC1	2220070720	SZBDMRDPNYIUQF-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
CCc1nocc1CN=c1ccc(B(O)O)c[nH]1	2223649301	WOXGUCYVMLDUSF-UHFFFAOYSA-N	247.063	-0.654	50	10	BBGE	
CC(C)CN(c1ncccc1B(O)O)C1CNC1	2223674799	RRRSNUGSPCPFOY-UHFFFAOYSA-N	249.123	-0.804	50	10	BBGE	
O=C(NCCF)c1cscc1B(O)O	2241471712	LGKAPQKCDWKDBS-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
O=C(CCCl)N1CC[C@H]1[C@H](O)CO	2241826999	YXPJTUOEPPVDOM-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
O=C(NC1CNCCNC1)[C@@H]1C[C@@H]1Cl	2242024590	QMGCQAUIHKJVNU-SFYZADRCSA-N	217.700	-0.709	50	10	BBGE	
CC1(C)C(=O)NC[C@@H]1NC(=O)/C=C/C(=O)Cl	2243246275	YYQGHHNQINBECO-YUDCMIJISA-N	244.678	-0.051	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2CC[C@H](C1)C2	2243349384	KLQVSKWVTKODHY-IUCAKERBSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)C1	2243349828	RAZJZPBKNPCSGG-NXEZZACHSA-N	223.081	-0.104	50	10	BBGE	
COC[C@@H](C)NC(=O)c1ccc(B(O)O)s1	2243349921	SMMXBSSVSMZIPA-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(CC2)C1	2243364809	CKKTZJGTMSSHJH-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
O=C(NCCc1cc[nH]n1)C1(B(O)O)CC1	2243365451	MSVSRRVUCKQYIL-UHFFFAOYSA-N	223.041	-0.925	50	10	BBGE	
Cc1ncc(CNC(=O)C2(B(O)O)CC2)[nH]1	2243365625	PCAKNYQXFIIMDZ-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@@H]2C[C@H]21	2243376725	OLPUEOSOVKXARJ-HTRCEHHLSA-N	237.089	-0.338	50	10	BBGE	
CC(C)(O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382758	RNTQUBHMTHCSQH-OCAPTIKFSA-N	229.085	-0.483	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243397014	UHAUIOOXEXDQEC-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
CC[C@@H]1CCN(C(=O)C#CB(O)O)CCO1	2243397996	AHTJNYDDEPVASJ-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CCCC1CC(CNC(=O)C#CB(O)O)C1	2243399018	JBTWVDTZJRJMOT-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N=S(C)(C)=O	2243399140	XKRRSSDHFJYCJL-UHFFFAOYSA-N	245.065	-0.864	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)C#CB(O)O	2243399796	QLXJUUKUIPKNKA-QMMMGPOBSA-N	225.053	-0.924	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2OCC[C@@H]2C1	2243404084	IZSPETJEWICDRK-LURQLKTLSA-N	225.053	-0.903	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cscc1B(O)O	2243408017	FJFSNLZBGPSHRM-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)C1(B(O)O)CC1	2243409956	RYJCFGACEJNDME-MRVPVSSYSA-N	227.069	-0.563	50	10	BBGE	
C#CCCC(=O)Nc1ccc(B(O)O)cn1	2243666209	YZHDRLQAINWELB-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cocc1B(O)O	2244216800	MKZJOPVMQQODIJ-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244333404	VNHGJJWYTVTTBW-QCLAVDOMSA-N	227.308	-0.687	50	10	BBGE	
CC1(Oc2ncc(Cl)cc2B(O)O)COC1	2245009001	ZITJKDVXURLXCM-UHFFFAOYSA-N	243.455	-0.418	50	10	BBGE	
C=C[C@@H](C)CCNS(=O)(=O)CC(=C)B(O)O	2245057583	GMIDZNQFNWUYSG-MRVPVSSYSA-N	247.125	-0.314	50	10	BBGE	
C[C@H](C(=O)Nc1ccc(B(O)O)cn1)C(F)F	2247492429	HIYLXXWEMJMGLC-YFKPBYRVSA-N	244.006	-0.399	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1C[C@@H]1C(F)(F)F	2247744298	QSTXKEPGSFGMTQ-RQJHMYQMSA-N	248.997	-0.294	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)o1	2247747898	UWEABSQUCDRUOU-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1occc1B(O)O	2247754351	FWQVZXMSTWMWST-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
C[C@]1(CCNC(=O)C2(B(O)O)CCC2)CCN1	2247754437	DDEBRXPFOFAZGM-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247756181	MOMWAELWPBSKKU-BDAKNGLRSA-N	240.112	-0.645	50	10	BBGE	
Nc1cncc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247797031	FSFYCTPFTCQKRD-RKDXNWHRSA-N	235.052	-0.857	50	10	BBGE	
O=C(NCc1ccc(O)nc1)[C@@H]1C[C@H]1B(O)O	2247798794	XGYQHOVCOJSMMJ-HTQZYQBOSA-N	236.036	-0.734	50	10	BBGE	
Cc1ncoc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247804548	HLEKPRIOHNXTJG-HTQZYQBOSA-N	238.052	-0.196	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCC[C@H](O)C1	2247805471	KICZWTMPKXOSNH-RTBKNWGFSA-N	241.096	-0.387	50	10	BBGE	
CN(CCn1cccn1)C(=O)[C@H]1C[C@H]1B(O)O	2247808274	UGUAALBZHWLNNK-DTWKUNHWSA-N	237.068	-0.796	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247809829	ROALFOVKASTVRV-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1(C)C	2247809854	RSRRCLFAGPYNAF-DJLDLDEBSA-N	241.096	-0.125	50	10	BBGE	
CC1CC(C)(NC(=O)c2ccoc2B(O)O)C1	2247846886	NYRWMJOESJYKJD-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247848460	MEFOLYOLBZUOGX-ZCFIWIBFSA-N	246.022	-0.532	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@@H]1C	2247858663	GTZHCHGNZRDYEJ-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cncc(B(O)O)c1	2247868757	HXVASWKMENIWKA-QMMMGPOBSA-N	236.080	-0.368	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]1CO	2247893330	QBUCCNOHMVFMFR-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCNCC1	2247893523	UDWXVBXSYSBHNH-DTORHVGOSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCC[C@@H]1CCCNC1)[C@@H]1C[C@@H]1B(O)O	2247898364	CVYCFISZIFNGLU-AEJSXWLSSA-N	240.112	-0.645	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247901780	AGFLVXZLBVVYSD-WOOKNIGNSA-N	240.112	-0.646	50	10	BBGE	
Cc1ccc(C=CC(=O)NCC#CB(O)O)o1	2248416691	XMYDAMHGGFIGMF-UHFFFAOYSA-N	233.032	-0.267	50	10	BBGE	
O=C(O)CCCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2248577963	QNAUIAGIOLLOKM-YUMQZZPRSA-N	243.068	-0.390	50	10	BBGE	
C[C@H](CCCNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248586058	VFGSPTVVBSJZDH-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250687193	IADKSYNJAWTGDV-JIIGURBLSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1ncc(B(O)O)cn1)N1CCCCCC1	2255471869	ZGZAJJDHCCQXNZ-UHFFFAOYSA-N	249.079	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]21	2255472336	FIRJJBSAVVSUNV-MRTMQBJTSA-N	248.091	-0.578	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccc(B(O)O)cn1	2255517726	FGBQRDHTAHXJLF-SECBINFHSA-N	246.075	-0.849	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2n[nH]cc2B(O)O)CCC1	2255546262	CCEDHSBQFNMCRD-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1C[C@@H]2CCCC[C@H]21	2255555008	UZPZJXVPJJMWBU-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255732211	RKCRCUHCSVBYSM-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@@H]3C[C@@H]32)c1	2255736111	GUBDWYJHXGSPAK-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
CC1(C)CN(C(=O)c2ccc(B(O)O)cc2O)C1	2255953539	KFRDNEOVUWFKTP-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C1CC=CC1	2256638124	BVWUSOHVOUNBBN-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCCOC2)[C@H]1C[C@H]1B(O)O	2298375458	KQPVRURCOQVETE-YSSBGUOXSA-N	239.080	-0.465	50	10	BBGE	
O=C(NC[C@]12CCOC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2298376353	TUFHMBSYVILKPT-TURQNECASA-N	239.080	-0.608	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2300062396	SGCLYSMEVPQXSN-IWSPIJDZSA-N	242.128	-0.271	50	10	BBGE	
C[C@H](COC[C@@H]1OCCOC1(C)C)C(=O)NN	2301612831	ABRVYYHVCGGBQA-BDAKNGLRSA-N	246.307	-0.177	50	10	BBGE	
Cc1nc(N(CCF)CCF)ncc1B(O)O	2301662076	ZEGRQYXEPZWZPI-UHFFFAOYSA-N	245.038	-0.790	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1CN2)[C@H]1C[C@H](B(O)O)C1	2302385521	NUJRCFHLYCJZGS-WYCDGMCDSA-N	238.096	-0.894	50	10	BBGE	
CC1(C)CO[C@@H](CN2CC[C@H](B(O)O)C2)CO1	2303156088	UBPGWUQSCVOPRQ-UWVGGRQHSA-N	243.112	-0.271	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](C1)[C@@H]2O)C(=O)NN	2303425439	CIFDTBBEORVAIK-FYLLDIAZSA-N	241.335	-0.295	50	10	BBGE	
CC1(CCN=c2cc(B(O)O)c(F)c[nH]2)CC1	2303847749	NQMCETYKOPWJDM-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3OCCC[C@H]23)nc1	2312614267	FGFDONSAGKCSHU-UTLUCORTSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCN[C@@H]3CC[C@H]23)nc1	2312614578	XWUOOIZSFMRQLU-AXFHLTTASA-N	248.091	-0.719	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cc1C#N)[C@@H](C)O	2317152067	XXUKTESXLVWOQW-LDYMZIIASA-N	248.091	-0.191	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2O[C@H]3CC[C@H]2C3)c1	2327545690	ROJVABPPVZDEMI-PEXQALLHSA-N	249.075	-0.292	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)OC(C)(C)C	1606818	UWXOTGWEZAXQAG-YFKPBYRVSA-N	203.242	-0.111	50	10	BBGE	
CN1CCN(CC(=O)NN)c2ccccc21	69626630	NLEIYIZNAQATRI-UHFFFAOYSA-N	220.276	-0.067	50	10	BBGE	
Cc1ccnn1CCn1cc(C(=O)NN)nn1	80007339	CTEKLTOFRDULIN-UHFFFAOYSA-N	235.251	-0.913	50	10	BBGE	
CC[C@@H](C)N1CCN(CC(=O)NN)CC1	82468607	GWIKLIJALJUCJO-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CNCCCN(C)[C@@H](C)[C@H](C)C(=O)NN	87472911	VWURINZXMXVAKJ-IUCAKERBSA-N	216.329	-0.458	50	10	BBGE	
O=C(CO)NN/C=C1\C=CC(=O)C(O)=C1	135808563	AEEQXMITSLJBQD-GQCTYLIASA-N	210.189	-0.936	50	10	BBGE	
CN1CCN(NS(=O)(=O)CCl)CC1	149827778	NBZLDCKYWLHRTH-UHFFFAOYSA-N	227.717	-0.736	50	10	BBGE	
C[C@H]([C@@H]1CCOC1)N1CC(=O)OC(=O)C1	158754488	TYKHCRDBEOYHGH-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](CCO)C1)C(=O)NN	227445007	UQJNUYGMKZRTLM-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)C1CCC1	228569155	QSBQFPCYOQQIHL-SNVBAGLBSA-N	229.324	-0.008	50	10	BBGE	
O=C1C[C@@H](NC(=O)CCBr)CN1	229035764	OJEQWAVHJYGEKM-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
O=S(=O)(CCl)NCCc1ncon1	231843355	RPAXOAWAQSTRAC-UHFFFAOYSA-N	225.657	-0.272	50	10	BBGE	
C[C@@H]1COCCN([C@@H](C)C(=O)NN)C1	306959310	XJZBDQSHGLADRP-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
OC1CN(C[C@H](O)CBr)C1	307203174	DUTUYVDRIYCDCF-RXMQYKEDSA-N	210.071	-0.581	50	10	BBGE	
C[C@H]1CN(C[C@H](Cl)C#N)CC(=O)N1	307215918	DYVSPAZCOHDFFU-NKWVEPMBSA-N	201.657	-0.062	50	10	BBGE	
CC(=O)O[C@@H](CN)CNCCBr	379321315	BHOXODGOFIEQND-ZETCQYMHSA-N	239.113	-0.139	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O	382180739	OFSDOLJGODLRGI-XUTVFYLZSA-N	228.248	-0.543	50	10	BBGE	
N#C/C(C=O)=C/C=C\Nc1c(O)c(=O)c1=O	383983652	ZANRSTSTADOBAZ-SJDXMKNESA-N	218.168	-0.437	50	10	BBGE	
OB(O)c1cccc(N2CCC[C@H](O)C2)c1	385831218	OVSHTTOSDKSIBI-NSHDSACASA-N	221.065	-0.673	50	10	BBGE	
C[C@H](CN1CCSC[C@H]1CO)C(=O)NN	388212895	VBOQRSLRJQVPCJ-HTQZYQBOSA-N	233.337	-0.978	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@](O)(C(N)=O)C1	389612319	DWENXZSPVCFQFC-IONNQARKSA-N	231.683	-0.570	50	10	BBGE	
O=C(O)Cc1cccc2nc(B(O)O)oc12	396118215	YZQJBSWWAGLACL-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
O=C(O)c1c(O)ccc2scc(B(O)O)c12	396389398	VUEAYUVEMMMXPM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1F)[C@@H](O)C1CC1	396437712	AVJQZAYMAXSODE-MNOVXSKESA-N	239.055	-0.724	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)[C@H](C)[C@@H]1C	399640249	XHXXAGOXLFLXIZ-GJMOJQLCSA-N	213.281	-0.131	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)[C@@H](C)CO1	403829790	PROQSIBQJICVIN-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CCOCCC(=O)Nc1ccc(B(O)O)cc1	404963752	FYBJAOZCXGIQCP-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
C[C@@]1(N)CCN(CC(=O)NNc2ccccn2)C1	405863305	FBIQQTHYFLCSPK-GFCCVEGCSA-N	249.318	-0.052	50	10	BBGE	
O=C(NCCCCF)c1ccc(B(O)O)cc1	584990296	BKGPGQWBRVYQHN-UHFFFAOYSA-N	239.055	-0.154	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CCC[C@@H]1OCC2	687519638	DILYYDALQLPAQE-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](C#N)C1	693988262	XFWLGDSMFBXUCM-CIUDSAMLSA-N	210.281	-0.154	50	10	BBGE	
CC(=O)NC1CN([C@@H](CC(C)C)C(=O)NN)C1	695088198	SBSXTIJJSPBEOR-JTQLQIEISA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cccnn1	700699694	DXGFFENTEGWUGL-BDAKNGLRSA-N	237.307	-0.077	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)NCC1CC1	701048814	PHTQBOYFYRDBFU-UHFFFAOYSA-N	248.091	-0.424	50	10	BBGE	
C[C@H]1CCCN(C(=O)NCB(O)O)C1	701938763	JYQMSXSABXVUQB-ZETCQYMHSA-N	200.047	-0.560	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccsn1	705777065	WFEBXEQGRJOZOL-MRVPVSSYSA-N	244.320	-0.420	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(OCC(F)F)C1	707397727	ZKCSOXSOOYCCCF-RXMQYKEDSA-N	223.223	-0.669	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCn1cccn1	707432428	XFBOFPHWHZXRFP-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CCC[C@@H]1O	708050022	DEJMAEYTELUWHM-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN(C)C(=O)C(=O)NN	716620261	QHVDSXZDSBFPBC-XGEHTFHBSA-N	225.292	-0.273	50	10	BBGE	
CC(C)(CN1CCC[C@]1(C)CO)C(=O)NN	723001634	ZLJCTWJXZZONRS-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cn1ccnc1	746176359	JPCVXWFYMCEFDJ-UHFFFAOYSA-N	225.252	-0.378	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C	770573380	XWDXCPYXHLDPKI-NKWVEPMBSA-N	231.321	-0.073	50	10	BBGE	
CCOCCOCC(=O)NN(C)CCOC	816562779	YPDGRQREDNDHMS-UHFFFAOYSA-N	234.296	-0.351	50	10	BBGE	
CC1=NO[C@@H](C(=O)NNC(=O)c2ccnnc2)C1	854968487	HZEDDEPJRFSKNC-MRVPVSSYSA-N	249.230	-0.598	50	10	BBGE	
CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H]1CCCO1	908379848	IMQPAUYJELRLLD-XHNCKOQMSA-N	244.291	-0.280	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNc2ccncn2)C1=O	908551982	XEUQBOVLLRTTMW-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
COC1CN(Cc2c(F)cccc2B(O)O)C1	1232754011	BOPKQANONUMGIN-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ccnnc2)no1	1299497894	FVIUPHAKTLYWAQ-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1	1564996454	YJQZNJGPECYNJX-SSDOTTSWSA-N	220.232	-0.020	50	10	BBGE	
CCn1cc([N+](=O)[O-])c(C(=O)NNC(C)=O)n1	1587582339	WGGOIYZZVULREG-UHFFFAOYSA-N	241.207	-0.408	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1616378284	KVKIEJIGVPXMPN-RTMURIBGSA-N	238.247	-0.584	50	10	BBGE	
CN1C[C@@H](C(=O)NNc2ccncn2)CC1=O	1635929225	JFUCQZMSMTXLMQ-ZETCQYMHSA-N	235.247	-0.602	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@@H](C)Cl	1883710298	BGMAKHHAOSJAAD-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](N)[C@@H](CO)C1	1885199844	DDYPWGPMHMMWPT-VGMNWLOBSA-N	217.700	-0.241	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCSC1	1891993372	FXMBOZGPNCMOSH-LJGSYFOKSA-N	215.083	-0.228	50	10	BBGE	
O=C(O)COCC(=O)NC[C@@H]1C[C@@H]1Cl	1893118512	INCYMTNARJTMFZ-WDSKDSINSA-N	221.640	-0.169	50	10	BBGE	
CC(C)(CCN1C[C@@H]2COC[C@@H]21)C(=O)NN	1896232577	MMAWVXKGBBIJCN-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
NC(=O)[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)C[C@H]1C(N)=O	1897144457	QGVZWVRXKXMTEC-OSMVPFSASA-N	245.710	-0.868	50	10	BBGE	
C[C@@H]1C[C@@]1(F)COc1cncc(B(O)O)c1	1898064916	APGZCHGFWBMWQH-GMSGAONNSA-N	225.028	-0.112	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)C[C@@H]1CO	1899604678	DFLQWSSXASBBOX-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
CN(NC(=O)[C@@]1(C)C=CCCN1)S(C)(=O)=O	1901338859	DIBIFSNTQIAAND-SECBINFHSA-N	247.320	-0.783	50	10	BBGE	
CN(NC(=O)[C@H]1CCC(C)(C)N1)S(C)(=O)=O	1901374589	FLEHXCQUOOWFAV-SSDOTTSWSA-N	249.336	-0.560	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C[C@@H]1CCO1	1901984349	UIEGMFXUTSFMCF-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CCN(C)C(=O)CCN1CC[C@@H](B(O)O)C1	1902546624	PZYROCQNLLXZOW-SECBINFHSA-N	228.101	-0.597	50	10	BBGE	
CC[C@@](C)(CN1CC[C@]1(C)CO)C(=O)NN	1902715406	HAZPHKLMKGGKOU-WDEREUQCSA-N	229.324	-0.151	50	10	BBGE	
Cc1scc(C(=O)N2CCOC2)c1B(O)O	1902863983	KKNNDVKJVCYTQC-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
COc1cc(OC)cc([C@H](N)B(O)O)c1	1912278040	PTTMBVTWRNPNAK-VIFPVBQESA-N	211.026	-0.284	50	10	BBGE	
C[C@]1(C(=O)Nc2ncccc2B(O)O)C[C@@H]1F	1913596979	ZHMUUZLAGMRENX-XVKPBYJWSA-N	238.027	-0.552	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(=O)N(C)[C@@H](C)C1	1926006806	SSCALQRURXDNOL-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CCOC1CC(C(=O)NNCCO)C1	1929838033	IDRHBLGALUAOPH-UHFFFAOYSA-N	202.254	-0.585	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)CC1(C)C	1930244541	ZKMTXLCUXDDWPR-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C(C)(F)F)C1	1931485093	OVNUDJOIYJXVTF-YFKPBYRVSA-N	207.224	-0.048	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1CC1CCC1	1933351767	YSAQGTYRGPBTBO-MRVPVSSYSA-N	211.265	-0.233	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)CC(F)F	1936095037	SSGFOKMIVDZDMJ-NKWVEPMBSA-N	237.250	-0.828	50	10	BBGE	
NNC(=O)CN1CCOC[C@@H]1CC(F)(F)F	1937816477	NVYMCCDRNGBXPK-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
OB(O)c1ccccc1CN1CC2CC1C2	1938563425	IEALSBXHTOIXLG-UHFFFAOYSA-N	217.077	-0.039	50	10	BBGE	
O=C(NCB(O)O)c1coc(C(F)(F)F)n1	1938764763	KRCHHYRPVVDSIB-UHFFFAOYSA-N	237.930	-0.565	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](CO)C2(CC2)C1	1941083308	PPDUZZQYFQENFV-IVZWLZJFSA-N	239.319	-0.683	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)CCOCC(=O)NN	1941772886	OWKRFQFUAZPCDL-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)COCCN1CCCCC[C@H]1CO	1941775665	PUUACUVEMWMGFJ-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	1947072515	LEYNOAZWGJMOPS-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CSCc1c(C(=O)NN)cnn1C	1953972266	OFAWHHITABLTMH-UHFFFAOYSA-N	200.267	-0.113	50	10	BBGE	
O[C@H](CCl)CN1CCOCCOCC1	1955370514	CGPQBZOHDNHRDE-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
NC(=O)C1(O)CN(CCCCCCl)C1	1956251201	BTNGQFOULHYTEH-UHFFFAOYSA-N	220.700	-0.073	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@@H](O)CCl)CC[C@@H]12	1960147069	BFZNNHQKKUKFSM-HRDYMLBCSA-N	232.711	-0.346	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	1961364318	HGUCBSUHIWCRIQ-UOWFLXDJSA-N	219.191	-0.023	50	10	BBGE	
CC(C)n1cnc2c(B(O)O)ncnc21	1974678451	MMDBERMNKTXEGR-UHFFFAOYSA-N	206.014	-0.913	50	10	BBGE	
CN1C(=O)NCC12CN(C[C@@H](O)CCl)C2	1974907383	DPDRYNOOEPEDLJ-ZETCQYMHSA-N	233.699	-0.705	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1CNC(=O)C(=O)NN	1977350125	OKCPTGSWSHTERI-FFWSUHOLSA-N	239.197	-0.319	50	10	BBGE	
CN(Cc1cnsn1)CC1(C(=O)NN)CC1	1979643057	HLGLOOIMABFVPB-UHFFFAOYSA-N	241.320	-0.260	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1nc(B(O)O)cs1	1981468494	CUGCCJREKZTPOM-RXMQYKEDSA-N	248.063	-0.086	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@@H](O)C[C@H]21	1984035300	VWWMFGRANLZLAT-AEJSXWLSSA-N	227.308	-0.398	50	10	BBGE	
Cc1ncc(B(O)O)c(OC(CF)CF)n1	1985997974	UUPHZIHMVJCKCL-UHFFFAOYSA-N	231.995	-0.849	50	10	BBGE	
OB(O)c1cnc(OC(CF)CF)c(F)c1	1985998039	VOVBABGPJUGQFJ-UHFFFAOYSA-N	234.970	-0.413	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)C(=O)NN)CO1	1986868752	USGJQFXSDADNDX-RQJHMYQMSA-N	229.280	-0.704	50	10	BBGE	
C[C@H](N)[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991714332	FLUUTZFQKPOCKB-RIAPOHOLSA-N	246.694	-0.117	50	10	BBGE	
COC[C@@H](C)COc1ncccc1B(O)O	1995213665	FJUAUSMIHSOURT-MRVPVSSYSA-N	225.053	-0.577	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2COCCC2(F)F)c1	2003915140	CINZLKCBMXGTEB-SSDOTTSWSA-N	246.022	-0.765	50	10	BBGE	
Cc1ncnc(N(C)C2CCCC2)c1B(O)O	2004972259	CHFODMICCXBTBB-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CO)(OCC)C1	2005153462	LDHSXUKFFVFBGX-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2[C@H](CO)C[C@H]2C1	2005988825	AAYVFTJATZQGBC-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](COCc1cc(C(=O)NN)no1)N(C)C	2007006915	ZNMPSUHINZEVFB-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
CCc1ncncc1CN(C)CCC(=O)NN	2009051569	YPCQNGMHXVBRSO-UHFFFAOYSA-N	237.307	-0.149	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@@H]21	2015991220	VAUGEUPPWBXIIH-XWLWVQCSSA-N	241.335	-0.154	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC2(CCC2)CO1	2020056449	LAFOKDAPNCDMGD-SECBINFHSA-N	239.080	-0.370	50	10	BBGE	
COC[C@H](C)CC(=O)N[C@@H]1CCC=C1B(O)O	2020067472	HXUPHRDDGPYZIP-PSASIEDQSA-N	241.096	-0.124	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)ccc1F	2022199822	JXVKKGAODMLMCP-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CC[C@H]1C[C@H]1COc1ncc(B(O)O)c(C)n1	2022578007	BOMBOCIKWYUZAG-IUCAKERBSA-N	236.080	-0.110	50	10	BBGE	
CC1(C)OC[C@@H](N)[C@H]1N1CCC(O)(C#N)CC1	2023407984	ORSZNWZXJWJWMA-NXEZZACHSA-N	239.319	-0.158	50	10	BBGE	
C[C@H]1CCN(CC23CC(C(=O)NN)(CO2)C3)C1	2023853148	KGEKWAGRXYFFBQ-GCVQQVDUSA-N	239.319	-0.133	50	10	BBGE	
COC[C@H](C)COc1nccc(C)c1B(O)O	2026072507	DFGDMRKGCFGTAJ-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
Cc1cc(C)n(Cc2c(C(=O)NN)cnn2C)n1	2050243997	VROCSFIHIVDHFE-UHFFFAOYSA-N	248.290	-0.115	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1	2052032160	CSOXHTKCLYIBCZ-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
Cc1ncoc1CN(C)c1ccncc1B(O)O	2052469762	VJHVAKPPOYSXBI-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
C[C@@H]1[C@H](Cn2cnc3c(B(O)O)ncnc32)[C@@H]1C	2055739989	JLEOYKWJVNBWNV-RNLVFQAGSA-N	246.079	-0.592	50	10	BBGE	
CN(C)C1CC(OCc2ccccc2B(O)O)C1	2063788981	GNPLVRGHZJECDP-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC2(CC2)C1	2078404510	APNPQQHXQHZOEY-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)c2ccccc2B(O)O)CO1	2079012802	ZVEZQVSMMGSVLE-IUCAKERBSA-N	249.075	-0.726	50	10	BBGE	
CS(=O)(=O)N1CC(CNC(=O)Cl)C1	2209106143	CJOIIGSIHSVINV-UHFFFAOYSA-N	226.685	-0.174	50	10	BBGE	
NNC(=O)C(=O)NC1CCC2(CCO2)CC1	2211151586	JQIRNVVOENHKKZ-UHFFFAOYSA-N	227.264	-0.806	50	10	BBGE	
C[C@@H](O)CN(C)CC1(C(=O)NN)CCCC1	2212444975	SKTNLYDUMOZYII-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)C(F)F	2212604757	SFJQCLLJNYTSMS-BYPYZUCNSA-N	233.986	-0.034	50	10	BBGE	
CN(CP(C)(C)=O)c1cc(B(O)O)ccn1	2212616036	YPEKHSNGDHOMPI-UHFFFAOYSA-N	242.024	-0.222	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2216676632	HUSPJGKRKRVHSV-BXKDBHETSA-N	239.319	-0.133	50	10	BBGE	
N[C@@H]1CC[C@@H](COc2ccc(B(O)O)cn2)C1	2217167310	MZZLFHVWJXZABZ-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(O[C@H]2CNC2(C)C)cc1B(O)O	2217167856	VHGWBIGYWVRFAY-VIFPVBQESA-N	236.080	-0.801	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ncccc2B(O)O)CN1	2217175791	NGLBPKXSGWVENK-DTWKUNHWSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CO1	2217179616	NMUUERZSOUXZPQ-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
C#CC(C)(C)CNc1nccc(B(O)O)c1F	2217181746	UOPUENBBPCZRCA-UHFFFAOYSA-N	236.055	-0.028	50	10	BBGE	
OB(O)c1ccc(OCC2=CCNCC2)nc1	2217183321	HHTCZXBOXKDNGY-UHFFFAOYSA-N	234.064	-0.940	50	10	BBGE	
CC[C@@](C)(N)CCOc1ncc(B(O)O)cn1	2217192845	QIUKLJFZEZDZSX-SNVBAGLBSA-N	239.084	-0.947	50	10	BBGE	
CN(CC1(O)CCC1)c1ccc(B(O)O)cn1	2217196716	IAWOJHWYFLXMHY-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1Cc1cccc(B(O)O)c1	2220067298	VAOBATUNSMIRJZ-ZWNOBZJWSA-N	248.135	-0.322	50	10	BBGE	
CN1CCC[C@@H](Nc2ccc(B(O)O)cn2)CC1	2223638490	LGMSQHRQNNYEIG-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
CS[C@H](C)CCNC(=O)C#CB(O)O	2241467946	DVQVYECQVZRGTH-SSDOTTSWSA-N	215.083	-0.740	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)NNC(N)=S	2241601064	CPWVWSVEITXVET-XNCJUZBTSA-N	217.294	-0.477	50	10	BBGE	
C#CCOCc1cnsc1C(=O)NN	2241625622	BYQVRVSOZKKOKK-UHFFFAOYSA-N	211.246	-0.104	50	10	BBGE	
CN(C)Nc1cc(B(O)O)c(Cl)cn1	2242391747	KUBSKNTZGYNMLA-UHFFFAOYSA-N	215.449	-0.697	50	10	BBGE	
O=C(NCCCCF)c1coc(B(O)O)c1	2243347587	OFENHLVZATULFV-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
CC(F)(F)CNC(=O)c1coc(B(O)O)c1	2243348012	SDRRVZYVOKFUDL-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)oc1C	2243348199	VEDNIXFZNQVJDA-ONEGZZNKSA-N	223.037	-0.426	50	10	BBGE	
CC1CC(NC(=O)c2cscc2B(O)O)C1	2243348475	YEGRQHHNQLHTJC-UHFFFAOYSA-N	239.105	-0.044	50	10	BBGE	
C=C=CCCNC(=O)c1occc1B(O)O	2243363986	PLESTWKTTMWGBQ-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)sn1	2243378688	XUNDTDPKFFVILD-CAHLUQPWSA-N	240.093	-0.697	50	10	BBGE	
COCC(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381405	GCQJOBJAHIJLIA-OCAPTIKFSA-N	229.085	-0.219	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392042	QOUTXRWWJNQPDW-UTLUCORTSA-N	221.065	-0.279	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@@H]2C[C@H]12	2243398081	BMZBTIGDGDXTEW-IVZWLZJFSA-N	221.065	-0.446	50	10	BBGE	
CC(C)(C)CNC(=O)c1cc(B(O)O)c[nH]1	2243400176	WUUSGIPRYCCTFU-UHFFFAOYSA-N	224.069	-0.530	50	10	BBGE	
Cc1cn(C)[nH]c1=NC(=O)C1(B(O)O)CC1	2243411299	RBRIPXUJVBTXQB-UHFFFAOYSA-N	223.041	-0.904	50	10	BBGE	
Cc1cc(C(=O)N(C)C2CC2)oc1B(O)O	2243414303	XZCDUYLUFPXRQK-UHFFFAOYSA-N	223.037	-0.498	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1sncc1B(O)O	2243415260	QYKLLHZETMBBRX-CAHLUQPWSA-N	240.093	-0.697	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2COCC[C@@H]21	2243419759	GDMWYEZVTMGQHJ-KZVJFYERSA-N	225.053	-0.903	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2243427267	SLYULNQKCAZVPH-BBBLOLIVSA-N	221.065	-0.279	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2244547828	GJBPJBKDRSTCFF-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
COc1cc(CNC(=O)F)ccc1B(O)O	2245270441	UXPAYIZDMSQHFV-UHFFFAOYSA-N	227.000	-0.446	50	10	BBGE	
COCC1(C(=O)NNCCO)CC(F)(F)C1	2246063099	HAPLFHLILFPCAV-UHFFFAOYSA-N	238.234	-0.339	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1ccc(B(O)O)o1	2247739188	YRUKDNHBOWCCND-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
CC1(NC(=O)c2ccoc2B(O)O)CC(F)C1	2247747844	TWLYVSIQNLGYBW-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
CCCNC(=O)c1cc(OC)ccc1B(O)O	2247755287	CPXWAACWSPCYSU-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
N=c1cc(NC(=O)C2(B(O)O)CCC2)cc[nH]1	2247755807	LCENJZHWNLEAKW-UHFFFAOYSA-N	235.052	-0.170	50	10	BBGE	
CC1CN(C(=O)c2cccc(B(O)O)c2F)C1	2247759502	ROORETSDFRMAOX-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
C[C@@H]1NCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247785088	FUZLREZTBYCQLR-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247798088	QAWOELDDXJPFSG-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247799026	ZEMKGCWYQHYOHV-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCNC1	2247800934	VCRVHCZTEPQDNZ-XHHQTKHESA-N	240.112	-0.646	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@H](O)CC1	2247810659	ZDWOXQZGJXWVOT-RTBKNWGFSA-N	241.096	-0.387	50	10	BBGE	
CCc1c(NC(=O)[C@H]2C[C@H]2B(O)O)cnn1C	2247858278	CHTOQLFNWVBPFN-NKWVEPMBSA-N	237.068	-0.216	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2[C@@H](C1)C2(F)F	2247860187	SVTZTKVJEGAJHB-ULAWRXDQSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H](NC(=O)c1occc1B(O)O)C1(C)CC1	2247878835	OBIJKBVXNCFSKW-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCC12CC(CCO1)C2)[C@H]1C[C@@H]1B(O)O	2247887346	MYYMQQSBRWKVFV-QMFGVRBNSA-N	239.080	-0.465	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895102	OLGVXSCSBRNYTF-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@]1(O)CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896164	XSXMUOZVTDCDOW-TURQNECASA-N	241.096	-0.341	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC=CC[C@@H]1CO	2247898057	ZZPSACSSDQKNFO-OPRDCNLKSA-N	239.080	-0.611	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCNCC1	2247899545	OAFPYGVNTKUUPG-IUCAKERBSA-N	240.112	-0.645	50	10	BBGE	
CC(C)N(CCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248585338	JTZYQPMRZCOABB-YUMQZZPRSA-N	243.068	-0.439	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2248585422	LFDFUUKSNULSJR-NKWVEPMBSA-N	241.052	-0.780	50	10	BBGE	
OB(O)c1ccn(C[C@H]2COC3(CCC3)C2)n1	2248803894	TZIFLWRGOZBHQW-VIFPVBQESA-N	236.080	-0.478	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)co2)on1	2249430493	NOSVCFGMDIJBDB-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@H](C)O)C(C)(C)C	2250602395	UPMWZBYLPNZKTJ-IUCAKERBSA-N	247.339	-0.527	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H](CO)c1ccccc1	2253319849	PVGQHQNISSUNLO-SECBINFHSA-N	237.259	-0.832	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1coc(B(O)O)c1	2255445591	WRPGKIKCDRKSSM-KHQFGBGNSA-N	249.075	-0.265	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1coc(B(O)O)c1	2255457972	LJBZRRHEVANGHJ-RKDXNWHRSA-N	249.075	-0.122	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255469572	QVVIIAVVTQLDPB-UHFFFAOYSA-N	248.091	-0.267	50	10	BBGE	
C#CC#CCNC(=O)c1cccc(C)c1B(O)O	2255513638	VFDXBXDZHWCNRR-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255550376	WZVPTRLXQIWWKT-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1ncon1	2255736787	SWSTYOQKKISUCW-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255956874	IIKNYTZEUIAENM-JTQLQIEISA-N	249.075	-0.400	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1nccnc1B(O)O	2256044436	JGRQTOWOGDSMDJ-MRVPVSSYSA-N	249.079	-0.759	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2c(B(O)O)cccc21	2256596405	YITABRSWAHYDJX-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1occc1B(O)O	2298368126	OCRYQIZLIACZRH-FJXKBIBVSA-N	235.048	-0.512	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CN[C@@H]1C2)C1(B(O)O)CCC1	2298374976	IXFJMJYTWIODPQ-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
O=C(N[C@H]1CCO[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298376018	BNPVCIUCHBTBML-QCLAVDOMSA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@H]1CCCCCN1)[C@@H]1C[C@H]1B(O)O	2298376514	ZSPPDGWOPJVHDJ-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCCCCCC(=O)NN	2300629614	IUXBPXTYEQDIHS-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@H](C)[C@@H](C)C(=O)NN	2301395785	SLQCYSWOYGTOCF-RKDXNWHRSA-N	244.339	-0.589	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301478734	DGDIMSQIIYBMPC-QFOLPQNPSA-N	241.335	-0.010	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301493188	VPDKJMPKEUMDHP-WYFGTUCQSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H]1[C@@H](Oc2ncc(B(O)O)cn2)CC1(C)C	2302159885	QGMNFMNTVFZAAT-APPZFPTMSA-N	236.080	-0.030	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@@H]1CCO1	2302383564	RDZAEKDYWVEONB-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
O=C1CCCN1CCCN1CC[C@@H](B(O)O)C1	2303101021	FECQVGLEPKFHPW-SNVBAGLBSA-N	240.112	-0.452	50	10	BBGE	
O=C1OCCN1CCCN1CC[C@@H](B(O)O)C1	2303124367	QPQLSPIHTZUWJM-SECBINFHSA-N	242.084	-0.623	50	10	BBGE	
C=C[C@@H](C)CCN=c1cc(B(O)O)c(F)c[nH]1	2303850077	PMNDZOFMBSUAHF-MRVPVSSYSA-N	238.071	-0.054	50	10	BBGE	
O=C1[C@H]2CC[C@H](C2)N1Cc1cccc(B(O)O)c1	2312408832	DUDOBFCSQUEOIB-CMPLNLGQSA-N	245.087	-0.123	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317152094	YFMLVKIZMVSNBM-JOYOIKCWSA-N	246.075	-0.315	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C=CCN1	2317168608	WRJLOUHZJIUJES-NSHDSACASA-N	243.075	-0.822	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1Nc1ncc(B(O)O)cn1	2321007798	DOXOIBRWHLAVNW-PSASIEDQSA-N	249.079	-0.841	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCNS(C)(=O)=O	54712692	PJLSOTNAAIHQDK-LURJTMIESA-N	242.728	-0.473	50	10	BBGE	
Cn1ccnc1CNC(=O)NC(=O)CCl	70855125	IUELKBSPWIJWMQ-UHFFFAOYSA-N	230.655	-0.015	50	10	BBGE	
CN(CCO)[C@H](C(=O)NN)c1ccccc1	82468847	GKTVSMJRQIAROS-JTQLQIEISA-N	223.276	-0.358	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H]1CO	82470384	SZUXBQXYBYGZSW-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)CCCCN(CCO)C1CC1	82470833	KYNSBIKJUXCDQZ-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C=CCNC(=O)NNC(=O)CSC	89594117	HKUQWDLYOMGWAL-UHFFFAOYSA-N	203.267	-0.134	50	10	BBGE	
CSCC(=O)NNC(=O)c1ccon1	89994128	GFJSDCXLIGZNNR-UHFFFAOYSA-N	215.234	-0.201	50	10	BBGE	
CC1(C)[C@H]2CC[C@@]1(C(N)=O)C(=O)OC2=O	101022855	LDOJEYJKQSTIMH-XUOSJQGZSA-N	211.217	-0.022	50	10	BBGE	
Cn1cnn(CCBr)c1=O	128284358	XQKBBHAOWGPYFK-UHFFFAOYSA-N	206.043	-0.023	50	10	BBGE	
OB(O)c1ccc(OCc2ccn[nH]2)cc1F	202554831	DUDVAKKNHQDLPI-UHFFFAOYSA-N	236.011	-0.192	50	10	BBGE	
COCCCOCCOCCC(=O)NN	232205998	HHWFPUGEFYKRTM-UHFFFAOYSA-N	220.269	-0.564	50	10	BBGE	
COC[C@@H](S[C@@H](C)CO)C(=O)NN	232421841	QIOGIMZQAGZJGC-NTSWFWBYSA-N	208.283	-0.895	50	10	BBGE	
COc1cccc2cc(B(O)O)cnc12	238404052	PTXYVMIHLYJPJV-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H]1C	251274343	FOFVBRBWPKTJCB-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1C[C@H](C)O	304544796	LJKPBHDBJVJGGE-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
Nc1ccc2scc(B(O)O)c2c1N	306769401	AGUYDLCQDLQVPJ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CN1CC(NS(=O)(=O)CBr)C1	307403507	DTBHEHNDUIYXRU-UHFFFAOYSA-N	243.126	-0.428	50	10	BBGE	
Cc1nc(=O)c(C=NNC(N)=O)c(C)[nH]1	393691925	WESVGNWDMQXTNE-UHFFFAOYSA-N	209.209	-0.611	50	10	BBGE	
CCc1cc(CCC(=O)O)ccc1B(O)O	396050689	DOBGZCOESSFYRH-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
N#CCCc1cc(C#N)ccc1B(O)O	396095637	GGSVHRDZDIKNRI-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
Nc1c(B(O)O)sc2cccc(CO)c12	396255389	XZXTWTYNFTXJOO-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)[C@H](C)[C@H]1C	399640243	XHXXAGOXLFLXIZ-BIIVOSGPSA-N	213.281	-0.131	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)[C@@H](C)CO1	404006396	BYHGHEUWKDIGDN-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C(CC1CC1)NCc1ccccc1B(O)O	405005732	MOUFVLFOKQPQOF-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)cc1C	405060598	CIOXUITUYSYKLH-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](C)[C@H](O)C2	686194486	ZRKCGPYNOGXVBH-QUARPLMYSA-N	241.335	-0.011	50	10	BBGE	
O=C(CCc1cccnc1)NCB(O)O	701940134	YRUVKZVTMMDVIE-UHFFFAOYSA-N	208.026	-0.858	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CCC[C@@H]1O	703477238	VHQWPPLIHBLKDD-KDXUFGMBSA-N	225.244	-0.184	50	10	BBGE	
CCc1c(C(=O)N(C)N)cnc2ncnn12	704634850	HPVOOTOPEXFQEQ-UHFFFAOYSA-N	220.236	-0.368	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCNC(=O)C[C@H]1C	707347188	PQSQYBMWPOJPEN-SCZZXKLOSA-N	242.323	-0.789	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1B(O)O	709680536	WRLFKOGHEZGROD-GZMMTYOYSA-N	249.075	-0.352	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@H]3C2=O)c1	715705316	VWBVKDNOFXEMHA-HZGVNTEJSA-N	235.243	-0.139	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718289973	LHVUIOINCYZOHH-LPEHRKFASA-N	227.308	-0.136	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)[C@@H]1COCCO1	744643243	BNWTXCWBUHIUJN-RQJHMYQMSA-N	248.304	-0.699	50	10	BBGE	
C[C@H]1CN=C(N2CCC(O)(C#N)CC2)N1	821980589	JRPKTVITMPTUPL-QMMMGPOBSA-N	208.265	-0.315	50	10	BBGE	
C#C[C@H]1COCCN1S(=O)(=O)CCl	841550016	KREIUHSTTXWWJF-ZETCQYMHSA-N	223.681	-0.154	50	10	BBGE	
CSCCC(=O)NNC(=O)[C@H]1CCC(=O)N1	862449621	RMMJGKISGLUCFO-ZCFIWIBFSA-N	245.304	-0.835	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCN(C)C1=O	899925824	BJZHSFRPFSFIAT-ZETCQYMHSA-N	213.237	-0.978	50	10	BBGE	
CC(C)(C)C#CC(=O)NNC(=O)C(C)(C)O	1154457146	PMPLYOYWLGUZFC-UHFFFAOYSA-N	226.276	-0.046	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H](CO)C1CC1	1253573563	SACOBAPQBQSVQM-ZETCQYMHSA-N	227.713	-0.085	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1ccc[n+]([O-])c1	1298980671	NUABSHVHQXWDGC-UHFFFAOYSA-N	240.288	-0.599	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1coc(C(N)=O)c1	1299922394	AOGCJMBMIGLTJV-ZCFIWIBFSA-N	241.247	-0.664	50	10	BBGE	
Cn1ccnc1C=NNC(=O)C(=O)NC1CC1	1318195025	GWCNZOJEZZKPLQ-UHFFFAOYSA-N	235.247	-0.851	50	10	BBGE	
CN(NC(=O)c1cn(C2CCC2)nn1)C(N)=O	1327168595	SIUVBCZTIIQYPG-UHFFFAOYSA-N	238.251	-0.342	50	10	BBGE	
Cn1c(C(=O)NNc2ncccn2)cnc1O	1543284389	LKNXKIZDVFAPQB-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(B(O)O)cc1	1631874276	RSNTZTRPEHSUQR-QMMMGPOBSA-N	235.048	-0.398	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)CN(C)C	1641242856	FODDKUUXUAKXDX-UHFFFAOYSA-N	239.279	-0.949	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cc(B(O)O)ccc1F	1642783938	FCFQJCNGHGJSGA-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(O)CNC(=O)[C@@H]1C[C@@H]1Br	1877335675	FOEURMUKMMNKOP-DMTCNVIQSA-N	222.038	-0.029	50	10	BBGE	
CN(N)C(=O)C1(NC(=O)OC(C)(C)C)COC1	1880025087	YOOAXMWGVARWBT-UHFFFAOYSA-N	245.279	-0.388	50	10	BBGE	
NCC#CC(=O)N[C@H]1C[C@@H](Br)C1	1880964984	RAIWCONRYXCDEU-KNVOCYPGSA-N	231.093	-0.009	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1[C@H]2OCC[C@@H]21	1884457646	ZOGAWNZPWMKHID-QXRNQMCJSA-N	218.640	-0.162	50	10	BBGE	
C[C@@H](OCCN1CCCC1)C(=O)NN	1884750226	RORAROCYBIZLMC-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1C[C@]1(NC(=O)NN(C)C)C(=O)O	1885136043	VZFHKVHPYAIGJQ-YLWLKBPMSA-N	201.226	-0.375	50	10	BBGE	
COC[C@@H](O[C@H]1CC1(F)F)C(=O)NN	1885984249	OSIDXNLJUKDWMI-UHNVWZDZSA-N	210.180	-0.585	50	10	BBGE	
N=c1[nH]c(N)cc(=NC[C@H]2C[C@H]2Cl)[nH]1	1893098040	GQOFCIBSPLHOGA-RFZPGFLSSA-N	213.672	-0.068	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC12CNC2	1893410505	KHCSAWZQYULZLZ-UHFFFAOYSA-N	214.652	-0.118	50	10	BBGE	
C[C@@H]1CC(B(O)O)C[C@@H](C)S1(=O)=O	1893705544	ZMIAYNGMJNYIEM-PHDIDXHHSA-N	206.072	-0.185	50	10	BBGE	
CC(C)=C(Cn1cncc(F)c1=O)B(O)O	1901700434	LHLQJBYHIMBFBE-UHFFFAOYSA-N	226.016	-0.269	50	10	BBGE	
O=C(N[C@H]1CCSC1)N1CC[C@@H](B(O)O)C1	1902548520	NNHOCXMFEZXWKC-SFYZADRCSA-N	244.125	-0.250	50	10	BBGE	
CC1(C)CC[C@H](CO)N1CC(=O)NN	1905540130	KDRWCRBBVHBXNE-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(CC(=O)NN)C1	1905550789	PRMWXYZWAYTBHY-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](F)[C@H](CO)C1	1907659260	FILKVYYTYQHKOY-VHSXEESVSA-N	247.314	-0.201	50	10	BBGE	
CN(C[C@@H](O)CBr)S(C)(=O)=O	1913483109	NEUMULMSZVDVAG-YFKPBYRVSA-N	246.126	-0.366	50	10	BBGE	
CO[C@@H]1CNC[C@@H]1C(=O)N1CC=C(C#N)CC1	1917080742	RLYFCLNXZDFYIY-WDEREUQCSA-N	235.287	-0.097	50	10	BBGE	
C[C@H](C(=O)N1CCNCC1)N1CC=C(C#N)CC1	1917082477	OHOUTNSHSHMAMQ-LLVKDONJSA-N	248.330	-0.038	50	10	BBGE	
COC[C@H](N)C(=O)N1CC=C(C#N)CC1	1917109864	PQOKSNJUOOVDEA-VIFPVBQESA-N	209.249	-0.358	50	10	BBGE	
CO[C@H](CN)C(=O)N1CC=C(C#N)CC1	1917110812	VQMWIAJAAXYZJE-SECBINFHSA-N	209.249	-0.358	50	10	BBGE	
CO[C@H](C)CNC(=O)NNC(=O)C(F)(F)F	1923414402	GEJQKWYORVJIPG-SCSAIBSYSA-N	243.185	-0.086	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)CCOCC(=O)NN	1928180048	WXMXQQMKVDSWHO-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
Cc1nc(C[C@H](Br)C(N)=O)nn1C	1929102716	WZTMKYPLHPLONY-YFKPBYRVSA-N	247.096	-0.085	50	10	BBGE	
CN(CCCl)C(=O)C1CS(=O)(=O)C1	1933135203	HZDFXYCBAWDSQO-UHFFFAOYSA-N	225.697	-0.272	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936088202	KTUWBGMSHCJLKZ-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)Cn1cnnc1	1937147205	SGIQHRYEKDIUJD-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
CO[C@H]1CN(CCCCC(=O)NN)C[C@@H]1F	1937156056	WFJBWWQYPGFEHH-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)[C@@H]1CO	1938245986	CKWBGKHWONVTKS-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CO[C@H]1CN(C)C[C@H]1NC(=O)NC(=O)CCl	1938601275	RSJHMEPIQKZGIK-RQJHMYQMSA-N	249.698	-0.620	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](O)[C@H](F)C1	1941011903	MAHLNLITDNGPPY-NXEZZACHSA-N	247.314	-0.059	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](C2CC2)CC1=O	1941088871	HGAPCAMAUZFTSE-IVZWLZJFSA-N	237.303	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]2COC[C@@H]2C1	1942892679	ISVCEHNDEXKFKU-ZDCRXTMVSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H]2CO)n1	1944081159	XWJTZHORCYZMIP-SECBINFHSA-N	236.275	-0.748	50	10	BBGE	
[C-]#[N+][C@H](C)[C@H](CS(C)(=O)=O)NC(C)=O	1951437970	IMUWQZOULRVEKE-SVRRBLITSA-N	218.278	-0.157	50	10	BBGE	
C[C@]1(CO)COCCN1C(=O)CCl	1953963364	GMOPYXXHRYNBGG-QMMMGPOBSA-N	207.657	-0.165	50	10	BBGE	
C#CC1(O)CN(CCOCCCl)C1	1954820832	NYBZTRJEPUVKDI-UHFFFAOYSA-N	203.669	-0.078	50	10	BBGE	
NC(=O)N[C@H]1CCCN(C[C@H](O)CCl)C1	1960162922	HMSNCJKXUBRGKT-JGVFFNPUSA-N	235.715	-0.281	50	10	BBGE	
COC1(CN(C)[C@@H](C)C(=O)NN)CCC1	1960731661	UOKCKRXFCHUKLC-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]2C1	1975104861	VCXJQICDRYZOTL-KNVOCYPGSA-N	219.235	-0.047	50	10	BBGE	
Cn1nncc1N1CCN(CCCl)C(=O)C1	1981023937	FKRRFXSVDGOXBD-UHFFFAOYSA-N	243.698	-0.298	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1CCOCC(=O)NN	1981163213	MMFQVMIVNFKAKB-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
Cc1cc(N(C)[C@@H]2C[C@H]2C)ncc1B(O)O	1981530562	OBGAMTWQJFWHDZ-PSASIEDQSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1CCN1C	1987092010	JVXIEHBOXLBVTN-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
C=C[C@]1(O)CCN([C@@H](CCC)C(=O)NN)C1	1990539578	LOSUMULKKGRYLQ-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1CC(F)C1	1991329094	VUABILQSBFARSK-QXUHLLMWSA-N	227.044	-0.049	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@@H]1C[C@H]1Cl	1991439730	UWAGQYSOWDYAGL-VHSXEESVSA-N	245.754	-0.023	50	10	BBGE	
CC[C@H]1C[C@H]1COc1ncc(B(O)O)cn1	1993081893	XOICWQGCBGRQLK-YUMQZZPRSA-N	222.053	-0.419	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)C[C@H](C)C1	1997245104	NMMFIHJVNISISH-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1CC1(C(=O)NN)CC1	2003754374	NNQRZCAZBMSPDW-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)CC12CC2	2003755751	VMEZNYNJGAMYHS-AEJSXWLSSA-N	241.335	-0.010	50	10	BBGE	
CCc1nnc2n1CCN(CCC(=O)NN)C2	2004033919	XTGNCCPGOZJUKP-UHFFFAOYSA-N	238.295	-0.964	50	10	BBGE	
OB(O)c1cnccc1N1CC2CC(F)(C2)C1	2004915694	BYCULCCSCXAWEE-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CN(c1cnn(C)c1)c1ncccc1B(O)O	2004935257	MIJZPVSOSZCARJ-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
CN(C[C@@H]1CCCO1)c1ncccc1B(O)O	2004935338	NEEAQKGTWLNKEU-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CCCN(OC)c1nc(C)nc(C)c1B(O)O	2005017110	ZVKHMMYYWQCEDX-UHFFFAOYSA-N	239.084	-0.449	50	10	BBGE	
CN(C)CCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2007721939	RKHMSXQZRZOIFA-QWRGUYRKSA-N	240.351	-0.504	50	10	BBGE	
Cc1cc(CN(C)C[C@@H](C)C(=O)NN)nn1C	2011840384	OBYYVXNYMFIBGY-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)C1(CO)CC1	2012616243	RFXAVNJOWMYRQO-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2CCO[C@H]2C1	2012776575	WHKUGORQTUEMLP-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012899814	RFPWAEJCXLDLSX-RNLVFQAGSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@]1(O)CCOC1	2013284965	TZXVFRPQHNVJDZ-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)C12CC2	2016055453	MPYNLYKGYISUEP-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
CC(C)CN(C[C@@H]1C[C@@H]1C(=O)NN)C1COC1	2018180147	SJQSPRFANXHCIF-ONGXEEELSA-N	241.335	-0.031	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(F)cc1O	2020069289	ZKUOPJIMNBTQMM-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COn1nnc2ccccc21	2028044378	ODPBNCWHKBEOFP-YUMQZZPRSA-N	247.258	-0.514	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@H]2CO)cc1	2031685503	BUXWNKOCSKRXJP-LBPRGKRZSA-N	249.314	-0.214	50	10	BBGE	
Cc1cnoc1C(=O)Nc1ccc(B(O)O)cn1	2040764625	FTLPFXLJAFWWMH-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CCOc1cc(F)cc(C#N)c1B(O)O	2060169969	XNXDGWJCWZMXSA-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccn2nncc2c1	2066171162	WNTMJZNZBZDQJI-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2CCC[C@@H]21	2079011998	MTXLMRDXYIGKBX-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](F)C2)c1F	2212603409	FTPFMHZFYIJTHP-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CC[C@H]1O	2215770541	CHUMLDDJGSLQDS-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1CC[C@@H]1C(=O)NN)C1CC1	2215773636	TUYYXQDPPNXWKK-QXEWZRGKSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@](C)(COC)Nc1ncccc1B(O)O	2217172336	JIQBWTDPWVGKCP-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
CC(C)CN(CCO)c1ccc(B(O)O)cn1	2217177986	PUGZGYRAKXXDNY-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
CC[C@H](CCCN)Oc1ccc(B(O)O)cn1	2217188269	LQSFWDODORMPKH-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
CNC1CC(Oc2nccc(B(O)O)c2F)C1	2217190563	FDIFPNFHLFFQAG-UHFFFAOYSA-N	240.043	-0.970	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3C[C@H]3CO2)c1	2223626614	IQOHYOYTMFPGLI-YWVKMMECSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNC[C@@H]1C1CC1	2223644317	HVMICSQVSFIHBF-MWLCHTKSSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(N2CC=CC[C@H]2CO)cc1B(O)O	2223650713	PZSYJCTZTZIZJL-JTQLQIEISA-N	248.091	-0.803	50	10	BBGE	
CN(Cc1cccnc1)c1cc(B(O)O)ccn1	2223673416	XVTWRKJLMIMTTI-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
CN1CCC[C@@H](Nc2ncccc2B(O)O)CC1	2223676252	YUZVJCNZBGHVRP-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
NCCC1CCN(c2cc(B(O)O)ccn2)CC1	2223678275	ZKOXMEMFQCJRTP-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
CCON(C)c1nc(OC)ccc1B(O)O	2243043619	WWLAMELKGQSZIF-UHFFFAOYSA-N	226.041	-0.842	50	10	BBGE	
N[C@@H](CO)C(=O)NN(C1CCC1)C1CCC1	2243257863	IYCMWLXXWOKJBF-JTQLQIEISA-N	227.308	-0.256	50	10	BBGE	
O=C(C#CB(O)O)N1[C@H]2CC[C@H]1CC(F)C2	2243349691	PAVFZEMCYUPFNJ-IUCAKERBSA-N	225.028	-0.507	50	10	BBGE	
C#CCCN(C(=O)C#CB(O)O)C1CCC1	2243362464	RIJDCCZZRGQYGY-UHFFFAOYSA-N	219.049	-0.594	50	10	BBGE	
C#CC1(CNC(=O)C2(B(O)O)CC2)CCC1	2243365839	SXKQXSYSQLCJFM-UHFFFAOYSA-N	221.065	-0.087	50	10	BBGE	
C[C@H](F)CCNC(=O)c1csnc1B(O)O	2243378045	LRWDGSZLUIMFKQ-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H](B(O)O)C2)no1	2243381169	CWXCEJRJAXNIJM-IZLXSQMJSA-N	225.013	-0.430	50	10	BBGE	
O=C(Nn1cccc1)c1ccc(B(O)O)o1	2243401616	USLBGHSZAZZCOO-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
C[C@@H]1CCC2(CC2)N(C(=O)C#CB(O)O)C1	2243404908	WMIMAROKXDVBRD-SECBINFHSA-N	221.065	-0.207	50	10	BBGE	
CCCOC1CN(C(=O)C2(B(O)O)CC2)C1	2243408203	JBMDPNKPOMNKJA-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H]1CO	2243409309	FRJZZUMLEKELSU-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C(C)(C)CN	2243410505	CKKVRMWQJZLWKV-UHFFFAOYSA-N	228.101	-0.421	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CO1	2243411246	QLTDJOQGSHQZSD-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CC(C)=CC(=O)NCc1ncc(B(O)O)s1	2243667460	HRSDOKQRIKLEOO-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
C#CCC(=O)Nc1ccc(F)c(B(O)O)c1	2243684930	JOIRPTDMCMOMEQ-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cocc1B(O)O	2244217553	RHHGALJGDYRAGL-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H](F)C1	2244223527	WRFVWSIBVQBHAF-ZETCQYMHSA-N	227.000	-0.857	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2244317185	CNRYKPVQIYSOOF-ZDFLMOLOSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC=C[C@]1(C)CO	2246357154	YQRTXYLYOTUUJS-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
CO[C@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247721158	AMWZCIAUWKBNFX-ZCFIWIBFSA-N	241.052	-0.967	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccncc1B(O)O	2247736368	VOHXEZJUUGGJBR-QMMMGPOBSA-N	234.064	-0.687	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)C2(B(O)O)CCC2)C1	2247750408	IZGZMNPBRIHQEM-SECBINFHSA-N	240.112	-0.277	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)OC1	2247751522	YQDXAUTUVRGTSO-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CCC2)CCCNC1	2247753343	FVSRTNJYLOBLEV-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
C[C@H]1CC[C@@](CO)(NC(=O)C2(B(O)O)CC2)C1	2247754998	OXYLACAWPDIAKN-WCBMZHEXSA-N	241.096	-0.339	50	10	BBGE	
CC[C@@H](C)N(CC)C(=O)c1n[nH]cc1B(O)O	2247783513	GNMOSISMKVFPBG-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1B(O)O	2247803422	BAFCTAKKWWAOTR-SVSWQMSJSA-N	238.096	-0.670	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1cc(B(O)O)c[nH]1	2247848982	TUGQZMGAQPOHCZ-SSDOTTSWSA-N	234.064	-0.776	50	10	BBGE	
O=C(N[C@@H]1CNCC2(CC2)C1)C1(B(O)O)CC1	2247853225	IGQYQCBSHQWGLO-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)cn1C	2247869638	WDIYKFRGNLAMOS-HTQZYQBOSA-N	236.080	-0.909	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC=CC1	2247874465	MTAABIOECDEUGV-UHFFFAOYSA-N	234.064	-0.800	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C	2247877618	CFRSTEZSNGYZOY-BZNPZCIMSA-N	241.096	-0.079	50	10	BBGE	
CC[C@@](C)(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248579026	XDBDHAKUIGNENE-VIFPVBQESA-N	243.068	-0.390	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@@H](C)CF)n1	2249307181	GMFKNCFFENLVDN-ZETCQYMHSA-N	242.059	-0.436	50	10	BBGE	
O=C1OCCN1CCN1CCC(B(O)O)CC1	2249377686	HOGUUNMDMCYJAE-UHFFFAOYSA-N	242.084	-0.623	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)co1)C1CCC1	2249412106	VAHSUXOITOTREP-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1cocc1B(O)O	2249416450	RRNLNWLHJYONSB-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)NCc1ncoc1C1CCC1	2255466200	VDLOPBOCLUNLNE-UHFFFAOYSA-N	248.047	-0.426	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)cc1B(O)O	2255512582	BWWLAOANLQPEJD-IAZYJMLFSA-N	245.087	-0.187	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)ccc1B(O)O	2255513563	UACQIJGVTPAQOV-PHIMTYICSA-N	245.087	-0.233	50	10	BBGE	
CC[C@H](NC(=O)c1ncncc1B(O)O)C1CC1	2255516618	NXZHSQZFRYBDOP-VIFPVBQESA-N	249.079	-0.925	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ccc(B(O)O)cn1	2255517195	UDSZTCQZQRFTEA-GFCCVEGCSA-N	248.091	-0.224	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)[C@@H]1C[C@H]1C	2255716942	VYCJWNWTJRIPEB-KHQFGBGNSA-N	248.091	-0.464	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cn2)CC=CC1	2255721689	DKMNOICHTKQQEE-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
Cc1ccc(C(=O)NCCCC#N)cc1B(O)O	2255730742	SILHXYYSWFWSJI-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2255744103	ZYIMOOYYUAHWBB-NQMVMOMDSA-N	249.075	-0.170	50	10	BBGE	
CC(C)c1cc(B(O)O)cc(C(=O)NCC#N)c1	2255788939	YMQVVAOUKKJJLM-UHFFFAOYSA-N	246.075	-0.257	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)ccc1O	2256013222	DEHQPTWKSLIKCV-SFYZADRCSA-N	249.075	-0.448	50	10	BBGE	
O=C(Nc1ccccc1)c1nccnc1B(O)O	2256050841	CPUGAENZBVJLAS-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298376641	GZNQSOSXLZWECG-KYXWUPHJSA-N	241.096	-0.221	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@@H](O)[C@H](F)C1	2300374806	VGZLPVLODWONCP-UTINFBMNSA-N	245.298	-0.593	50	10	BBGE	
CC[C@@](C)(CN1CC(O)(COC)C1)C(=O)NN	2303425220	ALHCGRZVRZBMOZ-JTQLQIEISA-N	245.323	-0.914	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](OC)CC1=O)C(=O)NN	2303430202	ZWIQXOLGKJUSPL-KCJUWKMLSA-N	243.307	-0.360	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C[C@@H]2CC[C@H]1C2	2312112997	SRINIVROWPOTPP-YWVKMMECSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN[C@@H]3CC[C@H]23)c1	2312614205	AITORXIPKOOZGF-AXFHLTTASA-N	247.107	-0.686	50	10	BBGE	
NC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccccc1	2312851547	JKFHGCVBNZPZKF-OUAUKWLOSA-N	248.091	-0.335	50	10	BBGE	
C#CCCOC(=O)Nc1ncc(B(O)O)c(C)n1	2316374487	VUJRHSKBWVYCSP-UHFFFAOYSA-N	249.035	-0.963	50	10	BBGE	
C[C@H](O)CCCNc1ccc(B(O)O)cc1C#N	2317150976	LSWJXYBFSWXAHM-VIFPVBQESA-N	248.091	-0.189	50	10	BBGE	
NC[C@H]1C[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317316783	IVUYVMKLFJYZIJ-JLIMDTESSA-N	248.091	-0.672	50	10	BBGE	
CS(=O)(=O)NCCNC(=O)CCCl	35797983	ASMKSXVBCHTZQD-UHFFFAOYSA-N	228.701	-0.719	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)COCC(=O)NN	58851303	NDWNKPPYEKWIQS-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
C[C@H](C(=O)NN)N(CC(N)=O)C1CCCC1	82469968	CNRZOMDBWBJOOP-SSDOTTSWSA-N	228.296	-0.905	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ccsc2=O)O1	82471557	SYCGMDLHFHMRTH-RQJHMYQMSA-N	243.288	-0.553	50	10	BBGE	
CC[C@@H](Sc1nncn1C)C(=O)NN	82471943	AXKKMIXVHBXPGE-RXMQYKEDSA-N	215.282	-0.324	50	10	BBGE	
CC(C)[C@H](Sc1n[nH]c(N)n1)C(=O)NN	82472945	IJEIAMUJGMTVNH-BYPYZUCNSA-N	230.297	-0.507	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)C(C)(C)CCl	82511327	WSQNOABCKZXOTF-ZCFIWIBFSA-N	237.683	-0.099	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC[C@@H](C)O	135781481	DBLNVUYYIGIUKW-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)C(=O)NC1CC1	162630365	CKTGMVCKVCLHNG-RXMQYKEDSA-N	240.712	-0.231	50	10	BBGE	
COCCN(Cc1ccccc1B(O)O)C1CC1	199006436	FKLLWXLMAJLUOV-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
N[C@](CCCCB(O)O)(CC1CNC1)C(=O)O	203705059	AXPWCQBRFJPOFN-SNVBAGLBSA-N	244.100	-0.979	50	10	BBGE	
NCCCc1nnc(-c2ccc(B(O)O)cc2)o1	211477710	TZELVVDJAZASNM-UHFFFAOYSA-N	247.063	-0.692	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](C(=O)NN)CC1	216920648	ZGFVXDQTHQLEGQ-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCO)C1CCC1	228569146	SVEBSCODFWUTFK-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CN1CCN(NS(=O)(=O)CCCl)CC1	232300910	KJIHQIHQKIVFHO-UHFFFAOYSA-N	241.744	-0.693	50	10	BBGE	
CCOC(=O)N1CCN([C@H](C)C(=O)NN)CC1	233674246	DLUZNIHFBXJBCP-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
COC[C@H](OCCOCC(C)C)C(=O)NN	234712520	IOKZRJUPLBFPEM-VIFPVBQESA-N	234.296	-0.320	50	10	BBGE	
CNNC(=O)[C@H](N)c1ccc(OC)cc1	259146319	UHSKWUUZMOBYSL-SECBINFHSA-N	209.249	-0.054	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ccnc(C#N)c1	281876682	OQUMBAKZBIRANS-UHFFFAOYSA-N	248.242	-0.515	50	10	BBGE	
COC(=O)[C@H](Br)CN[C@@H](C)CO	300009088	MMDIXIKXBHYMJU-NTSWFWBYSA-N	240.097	-0.107	50	10	BBGE	
COC[C@@H]1CCCCN1[C@@H](C)C(=O)NN	307775588	WSWSSKDAZUYLMU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]1CCO	308591434	PBXNWRMFPHFCMW-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
COC[C@H](C)CN(C)[C@H](C)CC(=O)NN	309077915	MVAXWVNCYXGINW-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	310553478	XFLPRNBSPATARY-ZYHUDNBSSA-N	240.351	-0.218	50	10	BBGE	
O=C1c2ccc(B(O)O)cc2CN1C1CC1	380659090	VJJRERVWAPUKFM-UHFFFAOYSA-N	217.033	-0.515	50	10	BBGE	
CCC1(O)CN([C@@H](C)[C@H](C)C(=O)NN)C1	384134290	LWBJDKNMHZVZDP-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)c1cnn(C[C@H](C)C(=O)NN)c1	393726791	DYTDZFIOWHINIM-LURJTMIESA-N	210.237	-0.288	50	10	BBGE	
O=C(O)c1cc2cc(B(O)O)c(O)cc2s1	396388487	UIOZOYRMYVZLCU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN1CCO[C@H](CSCC(=O)NN)C1	400751721	DAKFMSVQGPASJR-ZETCQYMHSA-N	219.310	-0.960	50	10	BBGE	
CO[C@@]1(CO)CCCN(CCCC(=O)NN)C1	402825598	GBWNRYZDVDMNOJ-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
CN(C)CCC(=O)Nc1ccc(B(O)O)cc1	404924793	ZCGZYRNNGPIVFG-UHFFFAOYSA-N	236.080	-0.743	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)C1CC1	404999814	LDHVMDXATJCFHT-UHFFFAOYSA-N	223.012	-0.146	50	10	BBGE	
Cc1nn([C@H]2CCCOC2)c(C)c1B(O)O	575597100	OBTYHDQKYDGZCD-VIFPVBQESA-N	224.069	-0.469	50	10	BBGE	
C[C@@H](O)CCNCc1ccc(B(O)O)cc1	585030963	MUROQTBOUHSIJC-SECBINFHSA-N	223.081	-0.773	50	10	BBGE	
CS(=O)(=O)CCNC(=O)OCCl	692817130	LTFBYQXCPWSYLJ-UHFFFAOYSA-N	215.658	-0.047	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@@H]2[C@@H](C1)C2(F)F	693400051	UTMCPKJAVUGZPI-PHDIDXHHSA-N	233.218	-0.616	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CN(C)C(C)(C)C1	694186609	HVUDIUJRLDWCFD-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CC(F)F)Cn1cc(B(O)O)cn1	694562473	DRWUQTNEGZAWRU-LURJTMIESA-N	218.012	-0.146	50	10	BBGE	
CC(C)C[C@@H](SCCC(N)=O)C(=O)NN	695070994	RVGQCQINAUMNFZ-SSDOTTSWSA-N	233.337	0.000	50	10	BBGE	
CC(C)OC1CCN(CC(=O)NN)CC1	695139868	FDUAUNGMHAZULH-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@@H]1C1CC1	699058209	AKHZWZJCKMRSJF-NXEZZACHSA-N	246.075	-0.254	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@@H]1CO	700397062	FPYNWRDXPBSLGR-DTWKUNHWSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](N2CCC2)C1	705329537	AGAZCIWEGGNFBH-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C[C@H](C)O	709384235	GTXZYRDTRCHUMX-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)c1ncc(CN2CCC2)s1	711157686	MIOWNECCNGCGHH-UHFFFAOYSA-N	212.278	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259312	LJSSFOXLHWHLDZ-HOTMZDKISA-N	225.292	-0.526	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1c[nH]nc1C	732082405	GGJZJGIDJWLEPL-UHFFFAOYSA-N	240.263	-0.096	50	10	BBGE	
C[C@@H](CO)[C@@H]1CCCCN1CC(=O)NN	829253559	QJPBSUKSPXWAKC-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)O1	864888552	CMPBUEVYHZTWBB-ZCFIWIBFSA-N	228.248	-0.115	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccn2nccc2n1	911444675	HHYHRTHVZQIEKO-QMMMGPOBSA-N	249.274	-0.313	50	10	BBGE	
CN(NC(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O	1116527676	JVQZRXLTYOXDFI-UHFFFAOYSA-N	239.191	-0.355	50	10	BBGE	
O=C(NCC1CC1)NNC(=O)c1n[nH]cc1F	1136416305	KJTLIWVVECCFKN-UHFFFAOYSA-N	241.226	-0.097	50	10	BBGE	
CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)C1CC1	1538514282	MWDHWFANRKUDOP-QMMMGPOBSA-N	241.291	-0.309	50	10	BBGE	
CCn1cc(C(=O)NNc2ncccn2)nn1	1540751262	SVQSASDYQGOJPR-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cc1nc[nH]n1	1631361288	CJIDVOXUJXNFSA-UHFFFAOYSA-N	226.240	-0.960	50	10	BBGE	
N[C@H](CO)C(=O)NC1CC(Br)C1	1880958740	OCMJFHXPFIAGSI-JMMWHDCWSA-N	237.097	-0.652	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C[C@@H](O)CCl	1882314802	DZGZNWCRGCGPBJ-RQJHMYQMSA-N	206.673	-0.594	50	10	BBGE	
N[C@H]1COC[C@@H]1C(=O)NC1CC(Cl)C1	1884412477	QMXGOLBKPDSIIB-GHNGIAPOSA-N	218.684	-0.154	50	10	BBGE	
C[C@@H](O[C@H]1C[C@@H](N(C)C)C1)C(=O)NN	1886161046	ZIZBJPSNULEBQA-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCC1(CO)CO	1891564714	ZJOYKPZJKCLDSY-SSDOTTSWSA-N	221.684	-0.041	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C1CC1	1891783305	GKILNFCQZKIRJF-UHFFFAOYSA-N	212.083	-0.583	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1C=CCNC1	1893504819	NEZUYSFTAUNMIX-KGGZQZJCSA-N	214.652	-0.048	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N([C@H](C)CC(=O)NN)C1	1896543987	XLTRESPGMRFNFG-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H]1C[C@H]1COc1ncc(B(O)O)cc1F	1897621930	UYILOJYYTCOHGJ-RQJHMYQMSA-N	225.028	-0.065	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2cc(F)cnc2C1	1900315455	NYCXBWPNNUAXMP-LURJTMIESA-N	224.239	-0.085	50	10	BBGE	
CN(C[C@@H]1CCO1)CC1(C(=O)NN)CCC1	1901979730	KYHQHFVPXWEBRI-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=C(O)[C@H](CCCl)NS(=O)(=O)CCF	1903477571	YWBNKILJCJXWJD-YFKPBYRVSA-N	247.675	-0.043	50	10	BBGE	
C[C@H](CN1CCC[C@@H]2[C@H]1CCN2C)C(=O)NN	1908659219	ZUQMELHRRLVBDB-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)C(=O)C(=O)NN)C[C@@H]21	1909274792	LRZXCYWUFGSAJO-UYXSQOIJSA-N	241.291	-0.752	50	10	BBGE	
C[C@H](CN1C(=O)CCSC1=O)C(=O)NN	1912261819	LESVELFCUXGOFZ-RXMQYKEDSA-N	231.277	-0.302	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1(CO)CCC1	1915001817	DWWSZAFFMGBUFV-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@](F)(CO)C1	1917086131	DTIMUUKNRMCIHU-NRPADANISA-N	233.287	-0.593	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(N)CC=CC2)CC1	1923313026	GJCBKFXLBJDPHP-UHFFFAOYSA-N	235.287	-0.089	50	10	BBGE	
Cn1ncnc1SC[C@@H]1C[C@@H]1C(=O)NN	1927916445	DOWGUQJZTYMZKQ-WDSKDSINSA-N	227.293	-0.467	50	10	BBGE	
NNC(=O)CCCCCN1CC(CO)C1	1929743235	NSRXJYRHRIYECP-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
CC(C)(CC(=O)O)CC(=O)NNCCO	1929838494	OIQWWYZGSWVKHF-UHFFFAOYSA-N	218.253	-0.510	50	10	BBGE	
COC[C@H](Cl)CNS(=O)(=O)N1CCC1	1929936633	IYOZLEZFAOUBOK-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C[C@H]1C	1929940322	YMUMRYXOBSHLHA-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@H]2CC[C@@H]21	1931919716	QMYUIJFYSPLNFE-CSMHCCOUSA-N	215.322	-0.055	50	10	BBGE	
CN1CCO[C@H]2CN(C(=O)CCl)C[C@H]21	1933289782	MLPBTNHRFQKSLV-SFYZADRCSA-N	218.684	-0.233	50	10	BBGE	
CCCN(C[C@@H]1CC[C@@H](C(=O)NN)O1)OC	1937123985	HZERDMIBNVKJOQ-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)c2cn(C)nn2)C1	1937188616	DUVLKZTZHAUSLZ-NKWVEPMBSA-N	243.698	-0.534	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CC2(C(=O)NN)CC2)C1	1938246939	NMLWOSKANSDLLH-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(CC(C)C)C1	1938436545	NHJJTILJCUHDLP-JTQLQIEISA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941086908	KWSCEKHFSXDXBF-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCOCC1	1941737551	WUMLDKMFMYYBQX-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1CCOCC(=O)NN	1941773140	SSKZSSQKYYJTCB-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)C[C@@H]2CO	1944028816	FSYVCJJYSWUXPX-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949277595	QRNLXBSAORKTEJ-KAMPLNKDSA-N	239.319	-0.400	50	10	BBGE	
COCCNC(=O)CN(C)CCCl	1954822472	PKHPHPMNXAPIEH-UHFFFAOYSA-N	208.689	-0.080	50	10	BBGE	
CCn1ncnc1CNS(=O)(=O)CCl	1956530777	JDYSCWWBJKRUEB-UHFFFAOYSA-N	238.700	-0.086	50	10	BBGE	
CO[C@@H]1CC(=O)N(S(=O)(=O)CCCl)C1	1956657239	NDOHNKZPZPAUQU-ZCFIWIBFSA-N	241.696	-0.198	50	10	BBGE	
C[S@](=O)CC1CN(CCCC(=O)NN)C1	1957677163	UOVHCSANCREVFL-HNNXBMFYSA-N	233.337	-0.933	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCC[C@@H]2C1=O	1961365229	SLXHIGAVCZRZBG-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)N1CC=C(C#N)CC1	1962488067	SCSJFOHGQAKDHM-CBAPKCEASA-N	209.249	-0.623	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@]2(CNC(=O)N2)C1	1974909082	PQIBDRDVNABMOI-CBAPKCEASA-N	228.683	-0.125	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1[C@H]2CC[C@H]21	1976612752	OGJHSDOFYGHPIS-KCQQBQQISA-N	238.077	-0.583	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@H]2C[C@@H]21	1980228566	MPNPTLZTMBCPRP-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
COCCN(CCC(=O)NN)[C@@H]1CCSC1	1980767169	CEUXIFGZLMAIFG-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
CC[C@H]1CCN1c1ncc(B(O)O)cc1F	1981469081	MHOQNZTWAPSFOD-QMMMGPOBSA-N	224.044	-0.111	50	10	BBGE	
COc1cc(OC)c(CNC(=O)NN)cn1	1983735209	FAECTIKOVWLKJN-UHFFFAOYSA-N	226.236	-0.228	50	10	BBGE	
COC[C@@]1(F)CCN(C[C@@H](C)C(=O)NN)C1	1984643691	BOXOBSJGRPJJTN-PSASIEDQSA-N	233.287	-0.327	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2CF)c(Cl)c1	1986085710	ZTDZOQZEFVFRNH-SSDOTTSWSA-N	244.462	-0.037	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC1CC1)C1COC1	1990127563	NLKHGRYBUFUUSA-JTQLQIEISA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cncs1	1990774066	DJXMOVBGNRIOBL-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H]1Cl	1991687360	UPZHPQZJUHMVBV-HSNKUXOKSA-N	247.678	-0.252	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H]2Cl)CCC(=O)NC1=O	1991687415	KGQWFRIDFXHFHL-ZTNVNUCQSA-N	244.678	-0.075	50	10	BBGE	
CC[C@H](C(=O)NN)n1cnc2c(N)ncnc21	1995630494	OIHDDFKXDVTGHK-RXMQYKEDSA-N	235.251	-0.651	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ccc(B(O)O)cn1	1996644962	CVGXRDQYAGROLK-RDDDGLTNSA-N	234.064	-0.254	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1CC[C@@H](F)C1	1998136027	WERVRZNDHFEERT-FSDSQADBSA-N	247.031	-0.833	50	10	BBGE	
CC(C)(C)CCC(=O)N[C@H](CB(O)O)C(=O)O	1998137144	ILKFTBKNMRIRFX-SSDOTTSWSA-N	245.084	-0.145	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2OCC[C@H]2O1	1999557701	FWIGRXLQNMQQAM-RGOKHQFPSA-N	243.307	-0.757	50	10	BBGE	
COC1(CN(C)[C@@H](C)C(=O)NN)CCOCC1	2001495319	UOKGANDEMHBMBA-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1[C@@H](CC)C(=O)NN	2003620090	YQSIGMLSACTMPU-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CCN1CCN(CC(C)(C)C(=O)NN)C(=O)C1	2004293577	VMZKPYONMXQZAY-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
CN(Cc1cscn1)c1ncccc1B(O)O	2004934418	RHUFQMOUCVHDFF-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CCOC1(CO)CN(CCCCC(=O)NN)C1	2005154741	YNIDOJZLOYYHKL-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(=O)NCC1(C)C	2006925915	RAEJKTPDSMVJNI-SECBINFHSA-N	242.323	-0.789	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H](C)N(C)C)n1	2007002197	YFXFBEAPDGPYSY-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	2009520138	IRJJFQBVECDPSR-IUCAKERBSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1cc(C(=O)NN)no1	2011156769	UDHSNVRJMZSQNO-RCOVLWMOSA-N	240.263	-0.767	50	10	BBGE	
CCN(c1ncc(F)cc1B(O)O)C1COC1	2014929780	NKQSKXLEPBBFSF-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	2017624095	VNZDJPXXJPZVGL-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCC=CB(O)O)C[C@@H](C)O1	2020061402	HAEQMFXPKICGJI-MYJAWHEDSA-N	241.096	-0.126	50	10	BBGE	
CC1(C)[C@H](O)CCCN1CC1(C(=O)NN)CC1	2020204738	AHUNRBOJKZBSBR-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C=C(CN(C)[C@@H]1C2CCN(CC2)[C@@H]1C)B(O)O	2021162358	FUVZTBFBDBYYNS-PWSUYJOCSA-N	238.140	-0.031	50	10	BBGE	
CC1(C)C[C@@H]1OCCn1cc(C(=O)NN)nn1	2023141577	BVGJGUFAVXBAEA-QMMMGPOBSA-N	239.279	-0.303	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1(C2CC2)CC1	2028109172	GOVRMZDEDVQUSX-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1ccc(-n2nnc3ccccc32)nc1	2052608407	IKXPEPYXWALGFV-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@H]3C[C@H]32)n1	2052624125	DALQKNKLQIOJRJ-VHSXEESVSA-N	247.107	-0.238	50	10	BBGE	
CCOc1ccc(F)c(C=O)c1B(O)O	2060111451	PSUIYRRVZGUTIM-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2nn[nH]c2c1	2076080856	DWIBUFNLJJGCTM-UHFFFAOYSA-N	246.035	-0.744	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ncc[nH]1	2077803853	UUSZAAZOXTUDDP-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2210213053	HNVARJDPNVGSNW-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CC[C@@H]2C1	2211138232	RNTCZIAWGYMNOK-HTQZYQBOSA-N	238.121	-0.335	50	10	BBGE	
CS[C@@H](C)CCOc1ncc(B(O)O)cn1	2212607827	DMXYQXDIXIPPPN-ZETCQYMHSA-N	242.109	-0.323	50	10	BBGE	
COC1(CF)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215772877	QORMDNVCDBZTJZ-BDAKNGLRSA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCN2CC[C@H]1C2	2215775410	GSRLNWUHVAHCCV-GARJFASQSA-N	238.335	-0.608	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CC2(C(=O)NN)CCC2)C1	2216495808	UEKFVGOCMIQDDP-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC[C@H]2CCOC2)O1	2217092032	ZKBJCHPAMBYCKP-LPEHRKFASA-N	244.291	-0.423	50	10	BBGE	
CO[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217196347	QXDJXDUMQUUDBN-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccccc1COCCOCCF	2217426402	IBCMHKSPUVAIIQ-UHFFFAOYSA-N	242.055	-0.131	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCCN(CC1)C2	2223626128	GQRVWKJIVOZWRL-LBPRGKRZSA-N	247.107	-0.588	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@H]1CN	2223633839	BTHFZRJSRGYGQV-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
CC[C@H]1CNCCCN1c1ncccc1B(O)O	2223642883	OQRMAHAGPNZMRL-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N[C@@H]2CNC(C)(C)C2)cc1B(O)O	2223647734	ZXESSBRCHWEKAI-VIFPVBQESA-N	249.123	-0.378	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@@H]3CCO[C@H]32)cc1B(O)O	2223649005	SFYGVFWIBMSJML-YGOYTEALSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CNCC[C@H]21	2223650175	IZHZNGGCQZQQLN-IQJOONFLSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3COC[C@H]32)cc1B(O)O	2223651639	DIEADNXEEYTAEY-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
Cc1cnc(N2CCN[C@@H](C)[C@H]2C)cc1B(O)O	2223652283	HRAPVTRINIUZPV-VHSXEESVSA-N	249.123	-0.744	50	10	BBGE	
CN1CCC[C@@H](N(C)c2cc(B(O)O)ccn2)C1	2223675251	QKDQTVCLTJLZKT-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(CCNc2cc(B(O)O)ccn2)co1	2223676208	XZQNGQDJAVTHAN-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
CCC[C@H]1CNCCN1c1ccc(B(O)O)cn1	2223853346	LZCBPUQKXSFXGG-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CSC1(CNC(=O)C#CB(O)O)CC1	2241472712	WPLBEBSMEBHKBH-UHFFFAOYSA-N	213.067	-0.986	50	10	BBGE	
N#CCN(Cc1ccccc1)C(=O)C#CB(O)O	2241478900	NGWGEOAMOGHLLD-UHFFFAOYSA-N	242.043	-0.446	50	10	BBGE	
CCSCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241481512	WALBSGSBOBLHLO-BQBZGAKWSA-N	217.099	-0.281	50	10	BBGE	
CN(CC1(O)CNC1)C(=O)[C@H]1C[C@@H]1Cl	2241933128	RCUCCBJCFULALO-BQBZGAKWSA-N	218.684	-0.594	50	10	BBGE	
Cn1cnc(NC(=O)C2(B(O)O)CCC2)n1	2243348474	YDFVGZXJBCBKGM-UHFFFAOYSA-N	224.029	-0.849	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)s1	2243350183	WZXWBWDCFQVIMO-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(O)cc1	2243356937	OWPMQMGJVBXEDW-UHFFFAOYSA-N	219.005	-0.630	50	10	BBGE	
O=C(NCCC1(O)CCC1)C1(B(O)O)CC1	2243365241	KAVZITPMRHWXQZ-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
O=C(NC1CC(F)C1)c1cc(B(O)O)sn1	2243378774	YYUFXOIQIIOJKL-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397070	VDNROKLWLUUTEW-CIUDSAMLSA-N	228.101	-0.661	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2243403889	FLPDRHDWULRTJU-PYHGXSLLSA-N	225.053	-0.998	50	10	BBGE	
CNC1CCN(C(=O)C2(B(O)O)CC2)CC1	2243408091	GVGIYILTKIKNFW-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
O=C(NCc1cnsn1)C1(B(O)O)CCC1	2243411075	NIHRRKJEJYNMEY-UHFFFAOYSA-N	241.081	-0.449	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N[C@H](C)CF)s1	2243415527	WYXSUUIMIPCKBC-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C(=O)[C@@H]2CCC[C@@H]21	2243425842	BOVJFDLWPFPULS-NGJRWZKOSA-N	223.037	-0.613	50	10	BBGE	
O=C(C=Cc1cccs1)NCC#CB(O)O	2243665887	WXCHRIDMJKJJQC-UHFFFAOYSA-N	235.073	-0.107	50	10	BBGE	
O=C(Cc1ccncc1)NCC=CB(O)O	2243684645	DNFITRUOTIJXQX-UHFFFAOYSA-N	220.037	-0.692	50	10	BBGE	
Cc1ccc(NC(=O)C(F)F)c(B(O)O)c1	2243686081	HIQUXQRRSJANHA-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
O=C(CCO)Nc1cc(Cl)ccc1B(O)O	2243686473	MYVOFZMJQJOVIE-UHFFFAOYSA-N	243.455	-0.659	50	10	BBGE	
O=C(NCC(F)(F)F)c1cc(B(O)O)co1	2244210544	GAKVTWAXUOGVFG-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
COCCCCOc1cc(B(O)O)cnc1C	2246824142	LFEYWMVJGUTPKL-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CCON(CC)c1nc(OC)ccc1B(O)O	2247142501	MNDDKKUIPDQGHA-UHFFFAOYSA-N	240.068	-0.452	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1coc(B(O)O)c1	2247732790	JJSOTQNAMXGBAI-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1C[C@H]2C=C[C@H]1C2	2247737018	BCSRJRSSKXDTPU-YUMQZZPRSA-N	249.100	-0.172	50	10	BBGE	
O=C(NCC1(F)CCC1)c1cc(B(O)O)c[nH]1	2247737865	LFEKVVQYQWQLQH-UHFFFAOYSA-N	240.043	-0.684	50	10	BBGE	
CC(C)(C)O[C@H]1CCN(C(=O)C#CB(O)O)C1	2247740828	QDJWLYGJENYZPQ-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
O=C(C#CB(O)O)NC1CCC2(CCO2)CC1	2247744711	XCDDIYJZEWNGHG-UHFFFAOYSA-N	237.064	-0.780	50	10	BBGE	
O=C(NC1CCC(CO)CC1)C1(B(O)O)CC1	2247753455	HGHIKYKRTOGHSR-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1C[C@H](CCNC(=O)C2(B(O)O)CC2)CO1	2247754344	FUFDMUBHAMGRON-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CCN(OC)C(=O)c1cccc(F)c1B(O)O	2247755220	BNFXFGOYRCKQAS-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)C1(B(O)O)CCC1	2247755874	LJDIFYOIGNOMBJ-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
CC1(C)CCN1C(=O)c1ncccc1B(O)O	2247770753	HJFPXTSHVOPCND-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CN(Cc1ccon1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791246	MDRWOLVWODLZKJ-OCAPTIKFSA-N	238.052	-0.114	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792039	QEICDQRHNJYGNM-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247806175	MOHUDZPXDFUYBW-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccccc1O	2247848146	HRYFFFIWQPCXIJ-QMMMGPOBSA-N	233.032	-0.415	50	10	BBGE	
Cc1ccc(C(=O)N(C)CCF)cc1B(O)O	2247855220	OTLHLTPPMYXCLM-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2247874674	ORMGLJDUTCMIBZ-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)C1(B(O)O)CCC1	2247878189	MDUBYYVUJDNXDH-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
CC(C)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1COC1	2247887252	MENBTRYEHTYWAC-NXEZZACHSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898824	IADHMHKUACCBLK-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
CO[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2247900262	VJDCMDNDCCCSMA-OPRDCNLKSA-N	241.096	-0.219	50	10	BBGE	
CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@H]1B(O)O	2247900495	XJUKWPUPGPZNRJ-NXEZZACHSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H](CCN)CCNc1ncccc1B(O)O	2248421074	CZAJXMJAEYPLCA-VIFPVBQESA-N	237.112	-0.452	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248577458	NKWDCBYQYHMVJD-LYFYHCNISA-N	243.068	-0.535	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2248584666	ABSMVYXLMMVMPV-FXQIFTODSA-N	243.068	-0.534	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)C)C[C@H](C)O	2250542642	KBPKOSSEBKZPPH-VHSXEESVSA-N	247.339	-0.670	50	10	BBGE	
C[C@@H](O)CN(C(=O)C1(B(O)O)CC1)C1CCC1	2250601090	VSLXBTFONAZGDV-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1ccncc1B(O)O	2255450327	VXGANVDPFFEWEU-VIFPVBQESA-N	246.075	-0.448	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)c1ccncc1	2255464259	UEKVFRBJVYSGMU-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1ccoc1B(O)O)C2	2255466257	VZULMIAJPBLZHS-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
O=C(C#CB(O)O)Nc1c(O)cccc1[N+](=O)[O-]	2255473530	MIVCNLZNQIOICI-UHFFFAOYSA-N	249.975	-0.746	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(F)ccc1B(O)O	2255505447	WZDQOYVVYFTYTJ-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1cc(B(O)O)n[nH]1	2255550458	XOVPIEGFHAAPRO-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1cc(B(O)O)c[nH]1	2255673017	NLWROMKWILAWJG-FXBDTBDDSA-N	248.091	-0.387	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)o1	2255674085	VYLBIHMULHUIKN-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
Cc1ccnc(CNC(=O)C2(B(O)O)CCC2)n1	2255690494	BLSIJFIEMRTFSQ-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@@H]1C1CC1	2255718186	VUICEWHOWBRNFH-SNVBAGLBSA-N	246.075	-0.614	50	10	BBGE	
C#CC[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2258122539	DBPSPYRCSRATQZ-NSHDSACASA-N	247.059	-0.509	50	10	BBGE	
CCc1nn[nH]c1CNc1cc(B(O)O)ccn1	2261466881	HICRMHADDFYGMC-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1NCC2)[C@H]1C[C@@H]1B(O)O	2298369795	FRBFTFPUEYPUQQ-CKEKPRIKSA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@@H]1CO	2298369982	KVFRHHFNFJKOBY-XFWSIPNHSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC1C[C@H]2COC[C@@H]2C1)[C@@H]1C[C@H]1B(O)O	2298376238	OAUZITNHRINLLJ-AKEJEFCPSA-N	239.080	-0.610	50	10	BBGE	
CC=CC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463513	HXFGWKPTLFHWJT-BWZBUEFSSA-N	241.052	-0.615	50	10	BBGE	
NNC(=O)CCCCN1C[C@@]2(CO)CC[C@H]1C2	2299769780	JBTFEOKLONPKER-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
C=C[C@H](N)COc1ccc(C=O)c(B(O)O)c1	2301452361	GSMDRTMVSXADSO-VIFPVBQESA-N	235.048	-0.929	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303860247	DNRHZCLDRXGUAM-NKWVEPMBSA-N	242.059	-0.595	50	10	BBGE	
Cc1cc(OCC2=CCCOC2)ncc1B(O)O	2327488944	JIXDXBGJCZZKPZ-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)NC(=O)CCl	82476165	DEWUKFGLYQEODW-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
NC(=O)NN=C1CCC(=NNC(N)=O)CC1	90586503	UYDCJKJGLZZUMA-UHFFFAOYSA-N	226.240	-0.391	50	10	BBGE	
CCCCN(CCCCC(=O)NN)CC(N)=O	110588380	CHFNFDPOKFSXTD-UHFFFAOYSA-N	244.339	-0.266	50	10	BBGE	
C[C@@H]([C@H]1CCCO1)N1CC(=O)OC(=O)C1	111217696	VKWBUYKMOFOPKC-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
CSCC(=O)NNC(=O)c1ccnc(C)n1	130170818	PVCDVGKMLKYKHG-UHFFFAOYSA-N	240.288	-0.091	50	10	BBGE	
CN(C)NC(=O)COC1CCNCC1	147250348	LFQSMAOGLNAYQP-UHFFFAOYSA-N	201.270	-0.652	50	10	BBGE	
NC1CC([C@@](N)(CCCCB(O)O)C(=O)O)C1	199744733	JJWPNUYEQUHMCS-KTOWXAHTSA-N	244.100	-0.851	50	10	BBGE	
N/C(=N/OC(=O)CCl)c1ncccn1	216766811	OPKKABPIZZUISY-UHFFFAOYSA-N	214.612	-0.121	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@@H](C#N)C1	226178975	WSTUENXWZYMOQR-IUCAKERBSA-N	226.280	-0.775	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](CCO)C1	229247880	DEQAODNRPYOROP-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)c1n[nH]c2ncc(B(O)O)cc12	238177236	OMJCJJZDACYWCU-UHFFFAOYSA-N	205.026	-0.239	50	10	BBGE	
CCCOC[C@H](O)/C(C)=N/NC(N)=O	238243325	WIQGSJGWLGPTEN-FSEMZKDTSA-N	203.242	-0.182	50	10	BBGE	
NNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1	259051864	VKLAENFSALSOTR-UHFFFAOYSA-N	206.205	-0.611	50	10	BBGE	
CC(=O)NCCN(C)C(=O)NC(=O)[C@@H](C)Cl	308143946	MWEOJWBEMDIPQL-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@@H](N)CCl)C(C)C	309144874	UWJOSQPZHAODPW-BQBZGAKWSA-N	236.699	-0.134	50	10	BBGE	
Cc1ccn(-c2cc(B(O)O)cnc2Cl)n1	309587750	WXQATNOFYYYYHY-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=NC2CC(O)C2)[nH]1	381040652	GAMYQWCIHLYNFK-IISSFJTQSA-N	243.698	-0.059	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)C1(C)C	381561647	QMKHPFQLLVZRTK-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc(N)c(Cl)c1	393767791	DXRGNBAXNCSUFU-UHFFFAOYSA-N	243.654	-0.109	50	10	BBGE	
COc1cc(B(O)O)ccc1CCC(=O)O	396031573	KOJOEDLMSKWIOR-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1OC	396036390	ZROVBEOWABNJGC-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	404972149	QYFQDLOJOGPWQA-SFYZADRCSA-N	234.064	-0.254	50	10	BBGE	
CN1CCC[C@@H](NCc2ccccc2B(O)O)C1	585017921	CIHQVLZYEOGJAH-GFCCVEGCSA-N	248.135	-0.450	50	10	BBGE	
C[C@@H]1N[C@@H](Br)[C@H]([N+](=O)[O-])N1	585664320	MZIGAFSLBFKOQL-JJYYJPOSSA-N	210.031	-0.151	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)CCC1=O	688934240	MJVZTQVDCWBHSS-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(CC(=O)NN)C1	688957742	IFRVXXQNCKAWQS-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CN(C)C[C@H]1CCN(CC(C)(C)C(=O)NN)C1	689157467	CZWPXPIDWXWOJU-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CC(N)=O)C1	690742545	XMHFIKDRIDVNRP-WPRPVWTQSA-N	242.323	-0.802	50	10	BBGE	
CCN(CCCC(=O)NN)C[C@H](C)O	692162238	YPXGYRWZJFVJHI-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@]1(C)CO	694659490	AKAIXTHWOUWRJX-ONGXEEELSA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)C[C@H]1CO	700396787	DOIZEALIMGMYGR-AEJSXWLSSA-N	229.324	-0.437	50	10	BBGE	
CN(N)C(=O)CCNC(=O)c1ccoc1	704705009	DDIHGZKQNOIKPZ-UHFFFAOYSA-N	211.221	-0.268	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCC[C@@H](N)C1	709010024	GPLMCXJRPSOXKW-SNVBAGLBSA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cnc(C(=O)NN)s1	711157010	BAZRHQIWTITRGW-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)c1nnn(C)n1	716679501	OQQZIJGOZJBITR-ZCFIWIBFSA-N	246.702	-0.891	50	10	BBGE	
COCCOCC(=O)NNC(=O)[C@H]1CC12CC2	869906306	YHBOOXAXIQOHKE-MRVPVSSYSA-N	242.275	-0.403	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)cnn1	1157782990	GMUJWVHGGPVEIH-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	1331262214	NNPSOMLSMDVCRE-PHDIDXHHSA-N	238.251	-0.833	50	10	BBGE	
O=C(NCC(F)F)c1cccc(B(O)O)c1	1444782993	QDPMVGOKALGTMH-UHFFFAOYSA-N	228.991	-0.639	50	10	BBGE	
C#CCNC(=O)NNC(=O)N=c1cc[nH]cc1	1468071996	UPKXGKJTWAERJE-UHFFFAOYSA-N	233.231	-0.528	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1C[C@@H](O)[C@H](OC)C1	1624177947	CTLZCXJTIQDDGS-BUMYOJGDSA-N	240.259	-0.352	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)C=CC(=O)Cl	1877510733	NHEOKCSWJONHAU-RITPCOANSA-N	218.640	-0.850	50	10	BBGE	
O=S1(=O)NCCN1C[C@@H]1C[C@H]1Cl	1881363868	BLNVZVKLIFKPBD-NTSWFWBYSA-N	210.686	-0.236	50	10	BBGE	
O[C@H](CCl)CN1CCn2nncc2C1	1886862050	DTCBXTYPNLNPCW-MRVPVSSYSA-N	216.672	-0.307	50	10	BBGE	
CO[C@H]1CC[C@@H]1CC(=O)NNC(N)=O	1886968477	JCGNDRNOTMHGRD-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
N=c1nc(CCl)nc(NOCCO)[nH]1	1888299838	DAGBXHPPTDBZQO-UHFFFAOYSA-N	219.632	-0.641	50	10	BBGE	
C[C@@H](COCCOC(F)F)C(=O)NN	1888726787	LQNMTGPCKHTDTP-YFKPBYRVSA-N	212.196	-0.132	50	10	BBGE	
C[C@@H](O)CCN1CC[C@](C)(B(O)O)C1	1891490762	FWKOYYDNIKCNBO-BDAKNGLRSA-N	201.075	-0.304	50	10	BBGE	
NNC(=O)C1(CN2CCSC2)CC1	1892080575	ITRMAESRULZPOE-UHFFFAOYSA-N	201.295	-0.237	50	10	BBGE	
O=S1(=O)C[C@@H](NC[C@@H]2C[C@@H]2Cl)[C@@H](O)C1	1893107209	KUFZAXCYWOYPAI-HSNKUXOKSA-N	239.724	-0.639	50	10	BBGE	
N[C@@H]1COCCN(C(=O)[C@H]2C[C@@H]2Cl)C1	1893453563	OGHNPWCRLICYSU-FXQIFTODSA-N	218.684	-0.200	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](C)S1(=O)=O	1894146118	SNAJXZUYZDZQMJ-YUMQZZPRSA-N	249.336	-0.431	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1	1894865419	GSNRKOQHLSKXHI-UWVGGRQHSA-N	221.260	-0.609	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@]1(C)CCOC1	1895360449	NYRJHEKNIVCDGJ-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](O)CN(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1895940530	DYYWNHHZAPSBDL-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
O=C(NCC1CCC1)c1cnsc1B(O)O	1900466527	HMMPVBRMGTZDSZ-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CC12CC(C1)[C@@H](N1CC(=O)OC(=O)C1)CO2	1900577776	OBLUBSBATSZOKI-KAIZJQOQSA-N	225.244	-0.061	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@](C)(O)CO1	1901772427	XLBMVCLFCBZJTL-SCZZXKLOSA-N	231.296	-0.467	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@@H]3C[C@H]32)n1	1902640059	YTRSSEAGCZXERE-HTQZYQBOSA-N	238.121	-0.193	50	10	BBGE	
CO[C@@H]1COCCN([C@H](C)CC(=O)NN)C1	1904642799	NZPCTPFHRJPTPF-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CCC[C@@H]1NC(=O)N([C@H](C)CC(=O)NN)C1=O	1905535117	SJAHUXHTEFXLEA-RQJHMYQMSA-N	242.279	-0.525	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O	1906626026	UYLNHIRUUWLDTK-XSPKLOCKSA-N	240.259	-0.878	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]12C[C@@H](CO)C2	1908435779	MBUJTVZJIJTWIQ-GUDRVLHUSA-N	239.319	-0.541	50	10	BBGE	
C[C@H]1CCC[C@@H]1CN(C)C(=O)C(=O)NN	1909623184	LGWADRSHMFUKCT-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CCn1ccnc1CN(C)CCC(=O)NN	1913378359	SLICNFACPMFDJD-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
CC(C)[C@H](N=S(C)(C)=O)C(=O)NN	1913515000	WQMTXSUTDFPBAQ-LURJTMIESA-N	207.299	-0.272	50	10	BBGE	
C[C@@]1([C@@H]2CCS(=O)(=O)C2)CC(=O)OC1=O	1928388366	PCGAWIJCUCCEFQ-MUWHJKNJSA-N	232.257	-0.099	50	10	BBGE	
OC[C@@H]1C[C@@H]2OCC[C@@H]2N1C[C@@H](O)CCl	1928936948	LNEVDZWIHYKFSH-XKNYDFJKSA-N	235.711	-0.190	50	10	BBGE	
CSC1CN(CC(F)(F)C(=O)NN)C1	1933241275	PUZYGCLSCJCYMN-UHFFFAOYSA-N	225.264	-0.341	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936093949	IZMNEFXQUGOTBK-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](CN1CC[C@@H]2COCC[C@H]21)C(=O)NN	1936281261	BKDDOIGTUSNDDI-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)CCN1CC[C@H](O)C(F)(F)CC1	1937581166	ZXGCWRXCPHNZCY-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
CCc1cc(=O)n(CC(F)(F)C(=O)NN)cn1	1940886125	HNMHLCPFRFBIPP-UHFFFAOYSA-N	246.217	-0.569	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2C[C@H]2C(=O)NN)c(C)n1	1941088260	PEPBNGAICLXOCE-RKDXNWHRSA-N	236.275	-0.514	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941288650	QFPQDTGAWUTNKP-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)C2(CC2)C1	1944613881	XIZMJTQHCLWMFD-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
COC[C@H]1CCCN(CCCC(=O)NN)C1=O	1945621219	WFTNKLWWZKQNBE-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2C[C@@H](CO)CO2)CC1	1949816691	GYGYRWBKSZAAIW-QWRGUYRKSA-N	240.303	-0.266	50	10	BBGE	
CC[C@@H]1CCCCN1C(=O)NCB(O)O	1951320120	CWJFTIZNMCJIDF-MRVPVSSYSA-N	214.074	-0.028	50	10	BBGE	
CN(CC1CC1)C(=O)N1CC[C@@H](B(O)O)C1	1951320666	PCXYUZHIZQKOCH-SECBINFHSA-N	226.085	-0.003	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)C[C@H](O)CCl	1956254624	NTAHXOKFEATYDG-JGVFFNPUSA-N	222.716	-0.100	50	10	BBGE	
C[C@H]1CN(C(=O)NN)CC[C@H]1CCO	1956957636	QYBIIAJPBUPSHQ-YUMQZZPRSA-N	201.270	-0.090	50	10	BBGE	
C[C@@H]1CCN(c2nc(B(O)O)cs2)C1	1956966476	VRLRFEUJKPFCNB-ZCFIWIBFSA-N	212.083	-0.331	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(NC(N)=O)C1	1957316439	CMPPREPFFBLGTJ-RXMQYKEDSA-N	219.672	-0.117	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1957837371	WBGDSDIVQKJDAI-CBAPKCEASA-N	219.260	-0.839	50	10	BBGE	
C#CCC[C@@H](NC(=O)NN(C)C)C(=O)O	1958373906	FPEUXCRCVFNKOO-SSDOTTSWSA-N	213.237	-0.371	50	10	BBGE	
CC(F)(F)[C@H]1CCCN1C(=O)C(=O)NN	1958620044	ZCKPHQBPMRJENL-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
Cc1nc(Cl)ncc1C(=O)NNCCO	1961177234	AMQQWSOEWCQVKM-UHFFFAOYSA-N	230.655	-0.335	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC([S@@](C)=O)C1	1961562535	CQYGHZJEYSLRQT-KWKYVRJSSA-N	233.337	-0.792	50	10	BBGE	
Cc1nn(-c2nc(B(O)O)cs2)cc1Cl	1961710319	MRAUEBBGRIJYAD-UHFFFAOYSA-N	243.484	-0.030	50	10	BBGE	
C[C@]12C[C@H]1CN(c1nc(B(O)O)cs1)C2	1961717601	CSTKBCKSEKJZCO-IMTBSYHQSA-N	224.094	-0.331	50	10	BBGE	
NNC(=O)CCN1CCC[C@]12CC[S@@](=O)C2	1975996795	ZVMMJKUFWKTUDF-QLJPJBMISA-N	245.348	-0.647	50	10	BBGE	
CP(C)(=O)[C@@H]1CCCCN1C(=O)C(=O)NN	1978698643	YIRSMNVKTMAMJO-SSDOTTSWSA-N	247.235	-0.062	50	10	BBGE	
O=C(NNCCO)[C@H]1CCn2ccnc2C1	1978921015	XXBCGNLNVWUFBX-QMMMGPOBSA-N	224.264	-0.941	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1[C@@H](C)C(=O)NN	1980856432	SNXAZECYVBHENQ-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([S@](C)=O)C1	1981209669	YFFSTOINJVPIQI-ABKXIKBNSA-N	247.364	-0.546	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CC[C@H]2C1	1981409615	PHLLFUBZNMMNHE-YUMQZZPRSA-N	219.053	-0.997	50	10	BBGE	
CCCN(C)c1ncc(B(O)O)c(OC)n1	1981468355	AKKSWTWZLASBND-UHFFFAOYSA-N	225.057	-0.989	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1981995939	JBPICDIDQDXQFH-BQHMLIOBSA-N	225.292	-0.669	50	10	BBGE	
Cc1cc(OCCN(C)C)ncc1B(O)O	1982814938	SFHMWLDALJHOOS-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
C[C@@H]1C[C@H]2CN([C@H](C)C(=O)NN)CCN2C1	1985229037	POTITBMPAATAKE-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](CN(C)[C@H]1COC2CC1C2)C(=O)NN	1986053041	ITBGLQWFXJDHQO-NFTFJBJSSA-N	227.308	-0.278	50	10	BBGE	
NC(=S)NNC(=O)c1cnn2c1CCCC2	1986141159	AFIXDELHAWVXIZ-UHFFFAOYSA-N	239.304	-0.303	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NCC=CB(O)O	1991327174	NYDDHPYYNMHMGA-IMTBSYHQSA-N	233.023	-0.038	50	10	BBGE	
CN(C)C(=O)[C@@H]1CNCCN1C[C@H]1C[C@@H]1Cl	1991440052	WXLZRYJPMPCSSK-UTLUCORTSA-N	245.754	-0.024	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOC2(CCC2)C1	1991826930	HDJOBAQHQUXBIU-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC([C@@H](F)CO)CC1	1999598302	BTCSFTUFDLUBQB-WPRPVWTQSA-N	247.314	-0.203	50	10	BBGE	
CC[C@]1(CO)COCCN1[C@H](C)CC(=O)NN	2003264335	JJYHHDVRFXBNQC-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H]3C[C@H]32)n1	2003505836	JGGHDAQZBPDYKR-OIBJUYFYSA-N	235.291	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896880	FZBZEOHDPBQRJX-MFDAYCCISA-N	241.335	-0.296	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]2COC[C@@H]21	2017525156	NWJSJLLHWAXJRG-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
O=C(Cc1ccccc1O)NCC#CB(O)O	2021164223	DQQUEUAXMMLMMU-UHFFFAOYSA-N	233.032	-0.934	50	10	BBGE	
NNC(=O)c1cc(CN2[C@@H]3COC[C@H]2C3)on1	2021404699	TYIKMXVDBMJEKV-KNVOCYPGSA-N	238.247	-0.749	50	10	BBGE	
NNC(=O)C(=O)N1CCCC12CCC(O)CC2	2023651662	ADUPFCWZGYJQLA-UHFFFAOYSA-N	241.291	-0.728	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1ncccc1B(O)O	2025754162	SNFKWVTYNKIVJA-GZMMTYOYSA-N	238.071	-0.054	50	10	BBGE	
COC1(C(=O)Nc2ccccc2B(O)O)CCC1	2048869464	WJDJUOAMCOPRBD-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C1CC1)c1ncc(B(O)O)cn1	2052472632	SGBXHVGRZYHFBG-ONGXEEELSA-N	247.107	-0.361	50	10	BBGE	
Cc1cnc(N(C)CC2CN(C)C2)c(B(O)O)c1	2052620498	UOMWNZAAMKXBFG-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1ccncc1F	2058156021	OKLBGFSQAGAHMI-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CCn1nc(C)c(B(O)O)c1OCC1CC1	2059918396	ZJZIKTHWTPZTKR-UHFFFAOYSA-N	224.069	-0.320	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(C=O)c1B(O)O	2060040684	SWRMFNLBURMMNI-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
N#Cc1c(C=O)cc(B(O)O)cc1OC(F)F	2060267953	CUPBJJXKZVLFMP-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(C=O)c1B(O)O	2060283438	ICCLXOBQVUPRMM-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@H]2COC[C@H]21	2066310776	UXWHWIXGNXPCBC-WCQYABFASA-N	247.103	-0.495	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CC[C@@H]1C1CC1	2071769779	QGBNDGHKYSJPLP-KOLCDFICSA-N	247.107	-0.219	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)c1ncc(B(O)O)c(C)n1	2079405972	QRJXZSWKGJBOKO-VHSXEESVSA-N	249.123	-0.053	50	10	BBGE	
Cn1cn[nH]c1=NC[C@H]1COC[C@H]1Cl	2209806290	RAUZZDZKZBAIJL-NKWVEPMBSA-N	216.672	-0.097	50	10	BBGE	
Cn1nccc([C@H]2C(=O)NC(=O)[C@@H]2Cl)c1=O	2211120072	ZBKSKCDMSZYLME-PHDIDXHHSA-N	241.634	-0.872	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC12CC(F)(F)C2	2212395330	CWCCBWQABYDVRK-YFKPBYRVSA-N	233.218	-0.330	50	10	BBGE	
CC[C@@H](COC)n1nc(C)c(B(O)O)c1C	2212554064	ZVCOHMNMXQPSER-VIFPVBQESA-N	226.085	-0.223	50	10	BBGE	
C[C@H](CCCO)Nc1cc(B(O)O)ccn1	2212611285	YLSLTQPNKZSIGR-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1cc(B(O)O)ccn1	2212613971	RLKUEJYQAGTICL-YUMQZZPRSA-N	224.069	-0.877	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCOC2(CC2)C1	2215773216	RYRMPMNDIBOPCA-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1NCC[C@H]1COc1ncccc1B(O)O	2217173170	NXUWMZZTNJUGRQ-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@](C)(N)CCOc1ncccc1B(O)O	2217173589	PFDASVNTTXMYLF-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
N[C@@H]1CC[C@H](CNc2cc(B(O)O)ccn2)C1	2217175166	FLEIFLZCIFZGIP-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1Nc1cc(B(O)O)ccn1	2217178153	SBOSMSPXQOMAOC-BDAKNGLRSA-N	236.080	-0.667	50	10	BBGE	
Cc1cnc(NC2CC(CN)C2)cc1B(O)O	2217184286	RMPJQEPELAZVRD-UHFFFAOYSA-N	235.096	-0.781	50	10	BBGE	
CC[C@@H](CN)COc1cc(B(O)O)c(C)cn1	2217185638	ZRSBUIJZHXXMMJ-VIFPVBQESA-N	238.096	-0.566	50	10	BBGE	
CC[C@@H](N)CN(CC)c1ncccc1B(O)O	2217199374	LVNMBNLLKZHORO-SECBINFHSA-N	237.112	-0.675	50	10	BBGE	
CCC(CC)CCN=c1ncc(B(O)O)c[nH]1	2217202881	MPHZRDLXLYOVGK-UHFFFAOYSA-N	237.112	-0.184	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCNC1	2217203482	VRXGUKWJMKOKPV-SECBINFHSA-N	235.096	-0.827	50	10	BBGE	
CN1C[C@@H](Nc2cc(B(O)O)ccn2)CC1(C)C	2223628629	RMNPBICHXKUICP-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ccn(C)n1	2223633874	CINPPJYTGFXYBS-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
Cc1cnc(NC[C@]23COC[C@@H]2C3)cc1B(O)O	2223642320	ZSULOGVJPNDDPS-JOYOIKCWSA-N	248.091	-0.482	50	10	BBGE	
CO[C@@H]1CN(c2cc(B(O)O)ccn2)CC12CC2	2223665873	FVEKQHPURFGQOZ-SNVBAGLBSA-N	248.091	-0.623	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1C2(CC2)C12CC2	2224029361	BQEDRAAXXAASNE-UHFFFAOYSA-N	246.075	-0.887	50	10	BBGE	
CCONC(=O)c1ccsc1B(O)O	2241468440	OJOIJOMWTYJZLR-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
O=C(NC1CSC1)[C@H]1C[C@@H](B(O)O)C1	2241474443	CXXPEKRYVDVQMR-OLQVQODUSA-N	215.083	-0.529	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)NO)c1C	2241583941	GXFHBMUREYHXQI-UHFFFAOYSA-N	215.039	-0.836	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1nscc1B(O)O	2243346913	FUOIHDFVDXOIHM-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
C=C(C)CCNC(=O)c1coc(B(O)O)c1	2243348226	VOCCFPDYGTUEFS-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C	2243349916	SJYXBHMHAUZUTE-YLWLKBPMSA-N	223.037	-0.594	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCCCC[C@H]21	2243361488	BXYCSYPZACMNPE-JZYVYDRUSA-N	221.065	-0.303	50	10	BBGE	
Cc1cc(C(=O)N2CCCN2)sc1B(O)O	2243366489	CWEJROZSLRLUKN-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2243383102	UJHDRPDNTLDDQI-BBBLOLIVSA-N	221.065	-0.136	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243391786	OILBYRBCSJGZOF-RYPBNFRJSA-N	226.085	-0.907	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243395842	COYMZTZMDGTSGH-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
CC1(O)CC(NC(=O)C2CC(B(O)O)C2)C1	2243396145	IHOTXBBZHOJGDL-UHFFFAOYSA-N	227.069	-0.731	50	10	BBGE	
CCC(C)(C)NC(=O)c1ccoc1B(O)O	2243398212	BUODIMKFHQZYLE-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(C2CC2)C1	2243400883	JEWOAMSGIULBBL-UHFFFAOYSA-N	221.065	-0.446	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@@H]1C[C@H]1F	2243403714	BJVOBHSOSUUZDR-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CC2)CC(N)C1	2243408076	GOBYECSUYPSOBY-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
NCCN(CC(F)F)C(=O)C1(B(O)O)CC1	2243409816	PLABZNJEDAMYSH-UHFFFAOYSA-N	236.027	-0.954	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2243409980	SKAVRCVDRQWXEW-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
CCCC1(O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243414569	DAPHFKAISRXKAO-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CCN(CC(=O)O)C(=O)C1(B(O)O)CCC1	2243752786	MUWSWROIAINCIZ-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2243758162	AXZFLWCYOUGSBP-RITPCOANSA-N	227.025	-0.933	50	10	BBGE	
C[C@@H](C(=O)N1CCC(B(O)O)CC1)N(C)C	2244176032	FPUCOAJNVIOUJA-QMMMGPOBSA-N	228.101	-0.598	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2244205430	JFKSYVFSOUZKLZ-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
OB(O)c1cccc(F)c1Cn1ccnn1	2245313763	YZEFZXKKOIBSGE-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
Cc1cc(N2O[C@H]3CC[C@H]2C3)ncc1B(O)O	2247070843	JZHFXMDXGBVCSX-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1(F)F	2247744321	RAFSEGGNLXMQBK-MHTLYPKNSA-N	244.006	-0.922	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1N(C)C(=O)C#CB(O)O	2247747537	OYIGDQRIUNAYJW-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
C=C1CN(C(=O)c2ccc(C)cc2B(O)O)C1	2247751802	CGJICVXVMXZLHI-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247757306	QSTKNOXTJPTARB-IUCAKERBSA-N	238.096	-0.702	50	10	BBGE	
O=C(NCC1(CCO)CC1)[C@H]1C[C@@H](B(O)O)C1	2247787130	LICMTPNTWKTEHA-DTORHVGOSA-N	241.096	-0.482	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247796501	ADFFZAZQCISZGU-LRHSEUGZSA-N	241.096	-0.531	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@]1(C)CCOC1	2247796870	DOCVCNIQPFQSJX-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247799151	ABUGCZQUEKZGPO-OPRDCNLKSA-N	243.112	-0.141	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)on1	2247800815	SZIFXCRWFQHPQM-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2CCN[C@H]2C1	2247803260	AHJKKCDFNWZAKL-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCCO1	2247807744	RURRWCAZGUZYOW-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1(F)CCNCC1)[C@H]1C[C@H]1B(O)O	2247809540	QAEXAZKILDCPLT-JGVFFNPUSA-N	244.075	-0.943	50	10	BBGE	
CC(C)(CO)[C@@H]1CCCN1C(=O)C#CB(O)O	2247849937	HFYXDNOSQIIWCE-VIFPVBQESA-N	239.080	-0.989	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ccoc1B(O)O	2247869144	MNIXFJQTURHJBY-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
N#Cc1cccc(NC(=O)C2(B(O)O)CC2)n1	2247871191	XFVLMFCFURLEJG-UHFFFAOYSA-N	231.020	-0.101	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2247891763	NMZCJLHTIHWVBO-AUXWQGHOSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]2(CCOC2)C1	2247900413	WNBCHTJBIBXGIY-YWVKMMECSA-N	239.080	-0.512	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2248577669	NPURMXXSVJRISV-RNJXMRFFSA-N	243.068	-0.837	50	10	BBGE	
C[C@@H](CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248585185	HNYFLQPZUFUFRY-BIIVOSGPSA-N	243.068	-0.534	50	10	BBGE	
OB(O)c1ccc(N[C@]23COC[C@H](C2)C3)nc1	2250963076	ROZZKWODCKKJHM-JLIMDTESSA-N	234.064	-0.648	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]1CC1CC1	2255462631	XWLXDRZWVOTJFQ-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
Cc1ncncc1CNC(=O)C1(B(O)O)CCC1	2255491675	ACWVXWJWTCCWLW-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NCCC#N	2255499540	BOFPMMRMDNPUSQ-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
C#CC1CN(C(=O)c2c(C)cccc2B(O)O)C1	2255512776	FSNWRQCALIFPGC-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
CCC1(C)CN(C(=O)c2ncccc2B(O)O)C1	2255518963	QUOPZMZMHIKDLM-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1ncccc1B(O)O)C2	2255522998	QBCZNSBGYPUSNN-PELKAZGASA-N	246.075	-0.757	50	10	BBGE	
O=C(Nc1ccc2nncn2c1)[C@@H]1C[C@@H]1B(O)O	2255570954	KVVTTZLWABUHBW-SFYZADRCSA-N	246.035	-0.469	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@H]2C[C@H]21	2255684815	QSWWFOBXHZIJBL-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
CC(C)C1(NC(=O)c2ccc(B(O)O)cn2)CC1	2255715673	ISQNSSIKADENJD-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N=c2cco[nH]2)c1	2255736580	QDMGSGZRBRHJBN-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
O=C(NCc1ccc(CO)cc1)[C@H]1C[C@@H]1B(O)O	2255774291	QDKKJEVSXLGPCE-QWRGUYRKSA-N	249.075	-0.342	50	10	BBGE	
O=C(NCc1cncn1C1CC1)[C@@H]1C[C@@H]1B(O)O	2255782701	GLQOBSKOBOMXQO-ZJUUUORDSA-N	249.079	-0.303	50	10	BBGE	
O=Cc1ccc(NCC2(O)CC2)cc1B(O)O	2301421513	VKMOAGFXQNNHPP-UHFFFAOYSA-N	235.048	-0.884	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(F)cc1B(O)O	2301586106	PVLULYBTMJDICA-SECBINFHSA-N	241.027	-0.785	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C)CCCC(=O)NN	2302021983	GNUUSVUXNRPQEI-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
COC[C@H](OCc1cccc(C)n1)C(=O)NN	2302796312	QUWZQRFZJPPQEB-JTQLQIEISA-N	239.275	-0.088	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COCC1[C@@H]2COC[C@@H]12	2302811791	UICAQDWXYXOIDR-OEIWMXHLSA-N	240.303	-0.089	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CCCOC2)C1	2303104901	MNBJIRMYGSCNKX-ONGXEEELSA-N	241.096	-0.122	50	10	BBGE	
C/C(=C/C(=O)N1CC[C@@](C)(B(O)O)C1)C(=O)O	2303108686	JPVVIBISUBYRHM-ONRRBMGISA-N	241.052	-0.517	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2COC[C@H]2C1)C(=O)NN	2303413008	GWUOPSAOYSJUGO-UMNHJUIQSA-N	241.335	-0.029	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	2303420283	SPWADTVSCHPUIX-MIZYBKAJSA-N	241.335	-0.295	50	10	BBGE	
CC[C@](C)(CN1C(=O)COC[C@H]1C)C(=O)NN	2303439218	SKADPAIKZUDHBZ-LDYMZIIASA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1cc(N2CCC[C@@H]2CF)ncc1F	2303836791	RKSDUXCSPPUASP-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
C#CCCOC(=O)NCc1cccc(B(O)O)c1	2316370313	AEEAVAHPGIOYKV-UHFFFAOYSA-N	247.059	-0.384	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317162341	RLNSYXXSBNGWFD-KOLSJAJHSA-N	246.075	-0.581	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCO[C@H]2C[C@@H]21	2317166745	YRCNLIIXDAFFFJ-RYUDHWBXSA-N	244.059	-0.784	50	10	BBGE	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)NN	42440721	HCNVQKBRVNULOT-WDSKDSINSA-N	200.242	-0.845	50	10	BBGE	
C[C@H](Sc1nccc(O)n1)C(=O)NN	82472223	PWSIIALPYXHBMH-BYPYZUCNSA-N	214.250	-0.347	50	10	BBGE	
COC[C@H](C)C(=O)NNC(=O)CSC	89994438	FMZCNNGPUZUMLN-LURJTMIESA-N	220.294	-0.221	50	10	BBGE	
NNC(=O)c1cc(COC[C@@H]2CCCO2)on1	104108278	FYIHPMNEGVPHDB-ZETCQYMHSA-N	241.247	-0.026	50	10	BBGE	
O=C1CN(C[C@@H]2CCCOC2)CC(=O)O1	111218172	DHVBZRQWMUEYPZ-QMMMGPOBSA-N	213.233	-0.202	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1CCCCC(=O)NN	122379509	CHFAREYANCWGPI-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CNCCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	125014281	VYNDFWQVNIRTRC-NXEZZACHSA-N	244.339	-0.935	50	10	BBGE	
COC[C@H](Cl)CNC(=O)[C@@H]1COCCO1	137122460	PZHMBQYXKVEXEP-SFYZADRCSA-N	237.683	-0.228	50	10	BBGE	
O=c1n(C[C@@H](O)CCl)nc2cnccn12	163075557	LCCXZBKKYRMKCN-LURJTMIESA-N	228.639	-0.509	50	10	BBGE	
CC(C)CNC(=O)CN(C)CCCC(=O)NN	228299682	DEBNCHIDPIHZOL-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
OCCN(CCO)C(=S)NCCCCl	244317108	XGEAVQBKMRISPR-UHFFFAOYSA-N	240.756	-0.224	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1C[C@H](C)C(=O)NN	251090578	KBTQNUVLKDTIEF-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
CCN(CCOC)[C@@H](C)[C@H](C)C(=O)NN	252596965	ISPDGYKQVSFNQM-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
CC[C@H](C)N(CCOC)[C@H](COC)C(=O)NN	300020850	RTEWBASLHUZAHG-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)[C@@H](CO)C1	307087792	LPKHSIQPQZBILE-HRDYMLBCSA-N	218.684	-0.208	50	10	BBGE	
CCN1CCCN(CCCC(=O)NN)CC1	307880202	XXUSGIHBPQYFGK-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
C[C@@H](Br)C(=O)NCCc1nnn[nH]1	308145525	NRTPULVBCHISOP-SCSAIBSYSA-N	248.084	-0.358	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H]1CCOC1	308481941	LUGDSPRHLGPKGO-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	308928103	QNXPQDOMRWIUOZ-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)cc2Cl)cn1	309497993	FPELSAFLJPAKJT-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)C[C@H]1O	316122243	LRJIQTTUOSEPFV-DTWKUNHWSA-N	223.700	-0.473	50	10	BBGE	
NC(=O)NN=CCC1CC(=O)NC(=O)C1	383967005	LFJHBUFGAFVLPD-UHFFFAOYSA-N	212.209	-0.917	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H](N3CCCC3)[C@H]2C1	384250701	LCLDRICWIHTVCQ-JZYVYDRUSA-N	224.308	-0.998	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	390365764	UDKJHEYLGQHZKW-RKDXNWHRSA-N	229.324	-0.154	50	10	BBGE	
COC(=O)/C(C#N)=C(N)\C(C#N)=C/N(C)C	390481676	LPYOVWCPQVXFTG-NMMTYZSQSA-N	220.232	-0.135	50	10	BBGE	
OCc1cc2ccc(B(O)O)c(O)c2s1	396339027	JGRHIABCEUDSMA-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(CCCCC(=O)NN)C1	401536539	KQQBBJNKFJCSMW-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)c(C)c1	405100559	HAIVUQPSQRDDAG-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
Cc1cc(N[S@@](C)=O)ccc1B(O)O	405125512	YOILFQYJIAMQKZ-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1CCCC1	405144530	LEAZJJLLVSSZQK-UHFFFAOYSA-N	235.052	-0.611	50	10	BBGE	
O=[S@](Cl)[C@H]1CS(=O)(=O)C[C@@H]1O	675067964	LIOZNXLVWTTWRE-UKGLUQRTSA-N	218.683	-0.953	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC(C)(C)[C@@H]1C	687867997	PSRWNWGHFCBRME-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
OB(O)c1cnn(Cc2ccc(F)cc2)c1	694488037	QCVWZGXVBCVGFZ-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](CC(N)=O)C1	700642708	VBQKHNJJURFDAT-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCCC(=O)NNC(N)=S	700850151	ZQWXNLAALCADEI-PHDIDXHHSA-N	244.320	-0.987	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOc2cccnc2C1	716437722	HIPSPOJKDPVBPU-QMMMGPOBSA-N	236.275	-0.346	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCS[C@H](CO)C1	720058846	BYGLXJPWDUYAKX-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1cn(C)nn1	720611116	IQWLXRJRWSCKPB-RXMQYKEDSA-N	238.700	-0.008	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(=O)NN)C[C@H](C)C1	723783104	POPSGOXARKZKQX-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1cccc(B(O)O)c1	725693178	CASLKZYTAJNAMY-UHFFFAOYSA-N	231.060	-0.036	50	10	BBGE	
CC(C)NC(=O)C(=O)NN=C1CCCOC1	734747092	XHELBPGEIFSNCF-UHFFFAOYSA-N	227.264	-0.206	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)CCBr	757141515	DGUHOMQSIJRPGH-RXMQYKEDSA-N	235.081	-0.142	50	10	BBGE	
CO[C@@H](C(=O)NNc1nnc(C)n1C)C1CC1	856047835	GDJTXERPGVGUOO-MRVPVSSYSA-N	239.279	-0.008	50	10	BBGE	
Cn1cc(C(=O)NN=C2CN3CCC[C@H]2C3)nn1	863126355	ISFCLGNOCRZXAH-QMMMGPOBSA-N	248.290	-0.374	50	10	BBGE	
COCCN(C)NC(=O)/C=C/Cn1cncn1	908114591	HYUVPOPOYBHAFP-ONEGZZNKSA-N	239.279	-0.556	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)C(=O)N1	953107785	WSVZAJPMPFUZGK-MRVPVSSYSA-N	234.064	-0.720	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC12CC2)[C@H]1COCCO1	1265592234	VFNQLBLJNWLNJI-JGVFFNPUSA-N	240.259	-0.651	50	10	BBGE	
Cn1ccnc1C=NNC(=O)Cc1cc[nH]n1	1324474864	FBDWRYODROQUEK-UHFFFAOYSA-N	232.247	-0.164	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCOC[C@H]1C	1343782964	LMFXXSHZQFUYKB-HTRCEHHLSA-N	200.238	-0.174	50	10	BBGE	
CC(=O)NNC(=O)/C=C/[C@H]1COC(C)(C)O1	1540576644	XGVIRRJBLORVHK-ZJELKQJVSA-N	228.248	-0.139	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1cccnn1	1597260487	NLCXRTFRJRLTQR-MRVPVSSYSA-N	220.232	-0.042	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N2CC(O)C2)cn1	1629838273	XHGDDMZYEUFWHB-MBXJOHMKSA-N	232.243	-0.470	50	10	BBGE	
C#CC(=O)NNC(=O)c1cncc(NC(C)=O)c1	1654436044	XAUMBRASPHCURA-UHFFFAOYSA-N	246.226	-0.566	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@H]2C[C@H]2Br)CN1	1877409980	LMJVOPAOKWTPAF-HCWXCVPCSA-N	247.092	-0.226	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)CS(C)(=O)=O	1881931237	AQEKAILJZMPFNH-LURJTMIESA-N	223.681	-0.612	50	10	BBGE	
CSCCC(=O)NCC=CB(O)O	1883501625	KLHVELMXAMKLFT-UHFFFAOYSA-N	203.072	-0.576	50	10	BBGE	
CC1(C)C[C@@H](O)[C@H](O)CN1C(=O)CCl	1887702906	CQMUBUHCUCHVEJ-RNFRBKRXSA-N	221.684	-0.042	50	10	BBGE	
C[C@H]1CCC[C@H](COCC(=O)NN)O1	1888224685	JQRXDRQHKPUPHK-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CCN(CC)Cc1nc(B(O)O)cs1	1891783585	MCBCIJDHHOFROD-UHFFFAOYSA-N	214.099	-0.335	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@@H]1OC[C@@H]1C[C@@H]1Cl	1893098320	HXOONARQGHFKDJ-HSNKUXOKSA-N	239.724	-0.245	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C[C@H]2C[C@@H]2Cl)C1	1893118949	KZXUKWVPUXUYAV-FJXKBIBVSA-N	218.684	-0.464	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@H]1C[C@@H]1Cl	1893447341	XNLXXPROXLRPND-ZXVYDBTHSA-N	219.668	-0.386	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@H](O)C1	1893460760	IWKOIEPXUCLWQH-HSNKUXOKSA-N	219.668	-0.432	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1[C@@H]2[C@H]1CCCC2(F)F	1895058207	YPYAUUYIINQOBS-NGJCXOISSA-N	233.218	-0.474	50	10	BBGE	
O=C(O)[C@]1(O)CCN(C[C@@H]2C[C@H]2Cl)C[C@H]1O	1897239299	UQGIBHIRITYJOK-WHQQTDPMSA-N	249.694	-0.504	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1C[C@@H]1CN	1901339584	PVSNPLQTRRCQOD-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
Cn1ccc(CN2CC[C@](C)(B(O)O)C2)n1	1902542500	ZUFKZCJMQSOMNU-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
C[C@@H]1C(Nc2cc(B(O)O)c(F)cn2)[C@H]1C	1903005925	MTAFZGLRIPPXKX-WDSKDSINSA-N	224.044	-0.033	50	10	BBGE	
C[C@H](COC[C@@H]1CC[C@H](C(=O)NN)O1)N(C)C	1908719028	LYVVALQZCPJODW-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
COC1CN(C[C@@H]2CCC[C@@H](C(=O)NN)O2)C1	1909807496	DIGJKPSLVCMVDQ-WPRPVWTQSA-N	243.307	-0.755	50	10	BBGE	
COC1CC(N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1914825186	QTLBELKYVPERJM-AUXWQGHOSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H](C#N)C1	1914870843	SKJITXWBTKYZAK-GUBZILKMSA-N	239.323	-0.860	50	10	BBGE	
CN(CCCCC(=O)NN)C1(CO)CCC1	1915001260	BHZYVJHBYVYWTA-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(F)(F)C2)O1	1917281745	MXOGFXHBERFYJG-BQBZGAKWSA-N	235.234	-0.525	50	10	BBGE	
C[C@H](C#N)CN(C)CC(F)(F)C(=O)NN	1927816625	PQJDATBZNYVSEE-ZCFIWIBFSA-N	220.223	-0.297	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1927933868	ISSSOTIBMSROSU-CBAPKCEASA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCC[C@H]21	1928179587	RKNIVKYKGHYYTB-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
O=C(CC1(C(=O)O)CCC1)NNCCO	1929838523	OTQHRMGPFLFZLS-UHFFFAOYSA-N	216.237	-0.756	50	10	BBGE	
OB(O)c1ccn(CC2[C@@H]3CCC[C@@H]23)n1	1930482470	BNGLSAOHRTXELW-HTQZYQBOSA-N	206.054	-0.391	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)C1	1936083606	JFBCCDDLTSNHAY-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936093964	JATHIVKCHJUCML-RGOKHQFPSA-N	227.308	-0.421	50	10	BBGE	
COC1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1936095140	UHPQIZUPWHGHDY-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
CC1(C)CC(=O)N(CCOCC(=O)NN)C1	1936530095	PMNPTXUHMOKDJV-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
COCCN(CCC#N)C[C@@H]1C[C@H]1C(=O)NN	1941083004	LMZPWCXVWBVICM-VHSXEESVSA-N	240.307	-0.526	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H](O)C[C@H]1C2	1941085885	FWYUCADZTIGZJH-NZHYYXIDSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](C2CC2)[C@@H](O)C1	1943089654	RECWKCKYQLZCNM-HLFFCZDVSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1C(=O)N(CC2(C(=O)NN)CC2)C(=O)[C@@H]1C	1945884274	NUCNBMATWVOSRQ-KNVOCYPGSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2OCCO[C@H]2C1	1946397051	MPHCBJRMEBLORP-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(CF)C1	1955351677	QQRAXCUXMCXRSE-HTQZYQBOSA-N	201.245	-0.486	50	10	BBGE	
O=C1[C@@H]2CCO[C@H]2CN1C[C@H](O)CCl	1956922737	ISMTZVXECXSWQG-PRJMDXOYSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H](CN1C(=O)CC12CCC2)C(=O)NN	1958163056	SSVOEIXZPGXDBX-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
CC[C@H](C(=O)NN)N(OC)[C@@H]1CCOC1	1960127974	ZZBXIHSUWWFONX-HTQZYQBOSA-N	217.269	-0.593	50	10	BBGE	
CN(c1ccncc1B(O)O)C1CCC1	1961694632	QOCBZLPWNDCGCH-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
C[C@H](CNC(=O)NN)CN1CCOC1=O	1975240958	MJVAGZTZIXAJAR-ZCFIWIBFSA-N	216.241	-0.752	50	10	BBGE	
CN(C[C@@H]1COC(C)(C)C1)C(=O)C(=O)NN	1976381532	QGKXONAZNBLOOZ-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
C[C@@]12CCCN(C(=O)C(=O)NN)[C@H]1COC2	1976539156	CJDMOSAQHPLDJH-XVKPBYJWSA-N	227.264	-0.996	50	10	BBGE	
CN(C)NC(=O)N1CC[C@]2(C(=O)O)C[C@H]2C1	1977091087	KZNHLUKULTVOIE-XVKPBYJWSA-N	227.264	-0.031	50	10	BBGE	
Cc1cc(O[C@H]2CCOC2)cc(B(O)O)c1	1980316724	ZKLLAVNMWNTNNC-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
CCN(CC1CC1)c1ncc(B(O)O)cn1	1981408979	HNAAJDXYMQLWFW-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]2CF)nc1	1981413626	IWRRHDZEYWCZRL-MRVPVSSYSA-N	225.032	-0.905	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H]1F	1981421789	FOAZPHWRORNBLJ-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
CO[C@H]1CCN(CCC(F)(F)C(=O)NN)C1	1984128528	PYKOKPXBITVRNS-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1ccncc1B(O)O	1987863384	WBMMAAWQYQGLRA-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)NNCCO)C12CCC2	1988758968	UPCXTTCXOMVVAN-RKDXNWHRSA-N	228.292	-0.195	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2COCC[C@@H]21	1989935332	HFWCQAKTQBIFBP-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@H](C(=O)O)C1	1990345665	HLKLPVDJAKFKQC-BQBZGAKWSA-N	231.252	-0.606	50	10	BBGE	
COC[C@H]1CCCN1CC(=O)NNC(C)=O	1990772211	HLBBAEBDAPAYJH-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOC1CC1	1990774005	COFLPAZWINDLGR-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
COCC1(N)CC(NC(=O)C=CC(=O)Cl)C1	1991655155	SDDHBVMMUAFYBL-UHFFFAOYSA-N	246.694	-0.070	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@H]2CNC[C@H]21	1991703776	KOSLBFXGZPVCQI-FLPBZWPXSA-N	244.678	-0.493	50	10	BBGE	
NNC(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O	1994947616	QSDFRNQJQVTSAT-UHFFFAOYSA-N	246.610	-0.600	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	1996645914	PUVITNNBPMBUCE-SSDOTTSWSA-N	235.052	-0.859	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2c(C)nnc2C1	2003923750	XSDRIJOTRHYBLN-QMMMGPOBSA-N	238.295	-0.829	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)c2ccncc21	2004311178	VVWLRRFMOGMKQG-MRVPVSSYSA-N	235.291	-0.284	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](n2ccnc2)C1	2004327747	QWFDKVUAIYNPRE-VHSXEESVSA-N	237.307	-0.102	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC1(C)C	2004911412	GUCNELIDNABTLX-VIFPVBQESA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(N2CCC[C@H](F)C2)ncc1B(O)O	2004971220	OCLJEHNFXVODEF-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	2006030805	SEEOZWMXOLYYLC-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](CO)C2(CCCC2)C1	2006546927	IPHXUCFXIXLIQU-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014825809	SUKGZHIZELZNGR-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CC(C)[C@]1(C)CCN1c1ncncc1B(O)O	2016676135	SVNOHZQBRQBXCW-NSHDSACASA-N	235.096	-0.219	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)[C@H](O)C(C)(C)C	2017673944	JFTZSXHHVOGYRH-BQBZGAKWSA-N	247.295	-0.378	50	10	BBGE	
CCN(CCO)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018243784	VVRUAGZXSBWKLP-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2[C@@H](C1)C2(F)F	2019217898	BVJMJRXPXKNLCI-JGVFFNPUSA-N	247.245	-0.259	50	10	BBGE	
CC[C@@H]1C[C@@H]1COc1nc(C)ncc1B(O)O	2022577870	ACFGZNRETVAIPQ-RKDXNWHRSA-N	236.080	-0.110	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@H]1CCN(C)C1	2052494851	RWZFDRIXHQBYFM-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCOc1ccc(C)c(B(O)O)c1C=O	2060147545	JPFFUWVESBUMGP-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@H]1CCNC1	2210076762	RXSZGZYEKSRUKJ-GJMOJQLCSA-N	215.322	-0.293	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N=c1nco[nH]1	2210099313	GVMHCNUFFTYWGC-GSVOUGTGSA-N	218.600	-0.233	50	10	BBGE	
N#CCC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838191	DMAPNZAJHJRQDH-ZJUUUORDSA-N	222.292	-0.152	50	10	BBGE	
Cc1cnc(NCC2(F)CC2)cc1B(O)O	2212604907	UMRWQWHKQSMKLO-UHFFFAOYSA-N	224.044	-0.016	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H](C)N)cc1B(O)O	2212605500	FZJIHVURWRMJQM-HTQZYQBOSA-N	223.085	-0.783	50	10	BBGE	
CN(C)CCCOc1cc(B(O)O)ccn1	2212607820	DJWPVPROJINZBR-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(OC(F)F)C1	2215771722	JNXNHIIBGHRXOC-XPUUQOCRSA-N	249.261	-0.074	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](O)C[C@@H](F)C1	2215775497	HHRBCOZPMQIUST-QCLAVDOMSA-N	245.298	-0.593	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CC1(C(=O)NN)CCC1	2216535062	VTJQBKVKNPCIPB-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NC[C@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217175569	KSMCQIATRFPXLP-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
Cc1cnc(OC[C@H](C)N(C)C)cc1B(O)O	2217181551	RPJIQSVGKUGHEE-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)CC[C@H](N)C1	2217181642	SNQWNCOPQCHVSI-KWQFWETISA-N	236.080	-0.590	50	10	BBGE	
CCC[C@](C)(CN)Oc1cc(B(O)O)ccn1	2217193479	NBYVEOPHNGXVIC-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
Cc1cnc(N(C)c2ccnn2C)cc1B(O)O	2223649857	DXYJILOLUBLOEX-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3COC[C@H]32)cc1B(O)O	2223653063	NTJHNYBLPVLPIL-FXPVBKGRSA-N	248.091	-0.483	50	10	BBGE	
NCC[C@@H]1CCCCN1c1ncccc1B(O)O	2223665157	CXXFSDVYHZHXAT-JTQLQIEISA-N	249.123	-0.531	50	10	BBGE	
CNC(=O)c1ccc(Cl)cc1B(O)O	2241473074	CIIPOVYJVRFTAU-UHFFFAOYSA-N	213.429	-0.621	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N(C)C	2241474624	HMFXYMBDCMKJLV-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(F)F	2241478684	KGMGBUJNDCXQJJ-WISUUJSJSA-N	206.985	-0.381	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)[C@@H](O)CC1	2241589167	MFHDFLUYPVLZBX-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
O=C(C#CB(O)O)NC1(C2CC2)CCCC1	2243357007	PYTFZFHYWMGGRJ-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CCCCO1	2243359654	VTKCJYHYOULGBK-UHFFFAOYSA-N	241.077	-0.405	50	10	BBGE	
CC(C)C[C@@H](O)CNC(=O)C1(B(O)O)CC1	2243365750	RLMVPOKYHXLFAV-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
O=C(NCc1cc[nH]n1)[C@H]1C[C@H](B(O)O)C1	2243392429	TXZJHOGMWUUUQN-LJGSYFOKSA-N	223.041	-0.721	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243398145	NIAZQAAHXYQEPR-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243404330	MLXGQVUHXJTMBG-FNCVBFRFSA-N	227.069	-0.610	50	10	BBGE	
O=C(NCc1csnn1)C1CC(B(O)O)C1	2243413466	GXHMKFHYFOKQSZ-UHFFFAOYSA-N	241.081	-0.593	50	10	BBGE	
CC(C)OCCNC(=O)C1CC(B(O)O)C1	2243413748	MQJJJPPDZSROHO-UHFFFAOYSA-N	229.085	-0.219	50	10	BBGE	
C[C@@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCN1	2243426362	HIRHFETVSVKDKI-NRPADANISA-N	226.085	-0.892	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427152	RBUNXUJTCPTDAT-BQBZGAKWSA-N	229.085	-0.485	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)c[nH]1	2244151493	UAWNXVFHOZUXMO-ZCFIWIBFSA-N	228.032	-0.876	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)cs2)CC1	2244540774	AAFYYSKCMVOGQK-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
CC#CCOCC1(C(=O)NN)CCOCC1	2245362529	GEKJIUQOCXZIIK-UHFFFAOYSA-N	226.276	-0.187	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1coc(B(O)O)c1	2247732123	CCBMYMGNRQRTMR-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1COC2(CCC2)C1	2247737029	BFYFTVABALHQKE-VIFPVBQESA-N	237.064	-0.828	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2247751693	AOUNBNFTJHINNL-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
CCCN(CC)C(=O)c1ncncc1B(O)O	2247772393	UPRJTOMNWGZBHE-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
CN(C[C@H]1CCOC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787389	OKYQFBBULRXECR-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790522	HWEDUJZQXVQLAP-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CCNCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804164	FMZLRKREZDJBKA-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2c[nH]nc2C1	2247806223	DNJXFEFIIQNVNG-JGVFFNPUSA-N	235.052	-0.843	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247808944	NIRIQFKZMZXLNZ-JDDHQFAOSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2247809774	RGFNPQDTCSJQCQ-VAPHQMJDSA-N	239.080	-0.779	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2OCC[C@@H]2C1	2247849829	FYAGWSZHJFCFMU-NXEZZACHSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCC[C@H](O)C1	2247851990	NAALBGQNALSFNS-ZJUUUORDSA-N	239.080	-0.941	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)C(=O)C1(B(O)O)CC1	2247872389	RBVHZBWGLVMLPT-IUCAKERBSA-N	239.080	-0.656	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247873122	FLQCHXOWMYIKEI-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CCON(C)C(=O)c1ccc(B(O)O)c(C)c1	2247873395	BETHRZYSFRZCRU-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H](C)F)cc1B(O)O	2247874375	QLRJMWVAPYBGPU-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CC1CC(C)(NC(=O)c2occc2B(O)O)C1	2247879519	TYHHBKQCVLZXFP-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1O)C1CC(B(O)O)C1	2247893084	MALJOPLIJQBCBX-SEZDTBSWSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1O	2247899642	OZPHMHHTDRAGOU-FNCVBFRFSA-N	241.096	-0.485	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC(F)C1	2247971963	PIRSQMVDFWXDDN-UHFFFAOYSA-N	238.027	-0.448	50	10	BBGE	
O=C(NO)c1cc(C(F)(F)F)ccc1B(O)O	2248587576	RKDJPLUXPHFVSH-UHFFFAOYSA-N	248.953	-0.496	50	10	BBGE	
CC(C)[C@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2248587801	USTFYCHSQCTFBY-SSDOTTSWSA-N	243.068	-0.439	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccc(O)c1	2249999072	QWKSCCLBKWPVQM-UHFFFAOYSA-N	233.032	-0.473	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2255504018	OYEYQIVRTRWBRX-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccncc1B(O)O	2255728519	HIHUHFXCQLAGRL-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
C=C[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1CCC1	2255787977	HSTXVVMAEQHOPL-SECBINFHSA-N	249.079	-0.826	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1coc(B(O)O)c1	2257045742	FKRMDBDEXUSZLH-VXNVDRBHSA-N	249.075	-0.170	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368497	IIEHLAFLLZVLIL-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@H]1CN2CCC1CC2)[C@@H]1C[C@H]1B(O)O	2298371178	BUPIQGHLEMILTI-BBBLOLIVSA-N	238.096	-0.940	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@H]1C[C@H]1B(O)O	2298375380	HSSOIAHJWABBDT-CKEKPRIKSA-N	239.080	-0.656	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CC=CCO1	2301818620	SMFOSBSDROBNCA-SNVBAGLBSA-N	239.080	-0.155	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	2302020809	SQSKGNCFLTVYEV-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CC(=O)N(C)C	2302022196	INYRLDBLDWXOHS-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2302049817	KVVSRGFXOLOHQD-GHXJOQNMSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cccnc1OCC1[C@H]2COC[C@H]12	2302546438	WXQMKLSCRUWAQW-YUMQZZPRSA-N	235.048	-0.967	50	10	BBGE	
CN[C@H](C)CCOc1cc(B(O)O)c(F)cn1	2303858630	OOLUTTYELXTEMP-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cc1C#N)[C@@H](C)N	2317206730	PWMLOGYDBRUIJL-RKDXNWHRSA-N	248.091	-0.400	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311726	UNCMGOFKURGBJA-UFBFGSQYSA-N	249.075	-0.705	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ncccn1	2328210401	QDJQEXZSCBIKRW-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CNC(=O)CNC(=O)NC(=O)[C@H](C)Cl	37225129	GLCLGDOGIOSMHE-BYPYZUCNSA-N	221.644	-0.815	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](c2ccccc2)C1	50601484	ONGOZGTXIMSISH-SNVBAGLBSA-N	233.271	-0.008	50	10	BBGE	
NNC(=O)COc1cccnc1[N+](=O)[O-]	82464700	MUMNUUZLVXXXST-UHFFFAOYSA-N	212.165	-0.642	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1CCN(C)CC1	82469177	MVLDTZDGFFSTTJ-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)C1CCCC1	82470092	GMAGTRLDVIVCCN-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](NC(=O)CBr)c1nn[nH]n1	82511012	AZUOEDHASZTWPL-VKHMYHEASA-N	234.057	-0.228	50	10	BBGE	
CNC(=O)CN1CC[C@H](Br)C1=O	82606858	AZFGYWUKOAAHQO-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CCC(=O)NC1=O	84404804	LZUNCZIEAPKJAY-PHDIDXHHSA-N	232.667	-0.217	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@](C)(O)CO	85254656	RZVUEXCIFRMFCM-XPUUQOCRSA-N	209.673	-0.279	50	10	BBGE	
CC(C)(CN1CCN2CCC[C@@H]2C1)C(=O)NN	94468180	SLDQYWDRJPPSDW-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
O=S(=O)(CCl)NN1CCOCC1	149829008	TXQSUBKRZLXVHZ-UHFFFAOYSA-N	214.674	-0.651	50	10	BBGE	
CS(=O)(=O)NCCNC/C=C/CCl	160689391	SXVYUJOESNTIEM-NSCUHMNNSA-N	226.729	-0.080	50	10	BBGE	
CCN1CCO[C@H](c2ccc(B(O)O)cc2)C1	200360424	DVKRSISXZLDMBW-LBPRGKRZSA-N	235.092	-0.240	50	10	BBGE	
O=S(=O)(CCCl)NC1(CO)CC1	232301533	ZTEYOMVKCQRTSM-UHFFFAOYSA-N	213.686	-0.331	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1O2	248715806	KGXHGVOPCUNZNX-BRDIYROLSA-N	228.248	-0.916	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H]1CCO	251544811	LDOIQTOYYMBICN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CNNC(=O)[C@H](N)CC1CCN(C)CC1	258945574	ANFQMORPZSTGGI-SECBINFHSA-N	214.313	-0.704	50	10	BBGE	
CSC[C@H](C)C(=O)NNC(N)=S	300751702	HEJJITIDEJEHOX-BYPYZUCNSA-N	207.324	-0.150	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@](O)(CO)C1	306301859	IRBOYYJHKOVLQU-SFYZADRCSA-N	204.657	-0.454	50	10	BBGE	
Nc1csc2cc(B(O)O)c(O)cc12	307025416	HGSWBCMIFSKURP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Cc1csc(CNC(=O)C(=O)NN)c1	307369762	OFSIEGJRWIDBHK-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
COC1CN([C@H](C)CCC(=O)NN)C1	308554721	UQEFHIYCUAOYPV-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
N#CCCc1ccc(B(O)O)c([N+](=O)[O-])c1	396051644	MJPZDZZPLRGKEB-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
Nc1csc2c(C(=O)O)ccc(B(O)O)c12	396252256	YSEOTLYGTCUMFI-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Cn1cncc1COc1cccc(B(O)O)c1	401793714	PFWCNSGCWONKEF-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
O=C(CC1CCC1)Nc1ncc(B(O)O)s1	405015754	CAICYXNVKFBVJC-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
Br[C@@H]1CN[C@@H]2NCC[C@@H]2N1	585663418	QOHZCGQMMGTCBR-ZLUOBGJFSA-N	206.087	-0.412	50	10	BBGE	
C[C@@H]1NN(C)[C@@H]2[C@@H](Br)NN[C@H]12	605681874	CBAOCGNEPKVESI-FSIIMWSLSA-N	221.102	-0.609	50	10	BBGE	
C[C@H]1COC[C@@H]1C(=O)NNC(N)=S	606277601	NYGZYVBSTISUPB-WHFBIAKZSA-N	203.267	-0.867	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CC(=O)NN	686190972	JXLUHOCHCHEODZ-BGZDPUMWSA-N	213.281	-0.790	50	10	BBGE	
CN1CCN(c2nnnn2C)C[C@H]1CCl	687606313	XGZDVNBKVLWQPU-SSDOTTSWSA-N	230.703	-0.431	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)C(O)[C@H](C)C1	688122479	QROQQLKRSXMMHN-PRJMDXOYSA-N	215.297	-0.687	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@]12COC[C@H]1C2	689285483	GUAMNVVIQBZOKR-CKYFFXLPSA-N	241.335	-0.031	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(COC2)C1	697144949	SRYNNZBWFCVNPV-SECBINFHSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2COC[C@H]21	700622489	WJOTVWJUSFALGR-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1CCN(C)C	701450776	XQTHLQIDWHLTRE-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
Cc1cc(O)ccc1C(=O)NCB(O)O	702021987	DWMUYSVSPCNOGZ-UHFFFAOYSA-N	209.010	-0.558	50	10	BBGE	
Cc1cccc2nc(C(=O)NCB(O)O)cn12	702032876	VJLQJMRPDABBFX-UHFFFAOYSA-N	233.036	-0.615	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CCC[C@@H]1O	708051814	RCCOLFKQEWRPCO-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](C)[C@@H]1CO	708470977	YYJBLZVHBIECNA-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H]2C[C@H]2C1=O	715701197	KSZXHTNVXJICMC-HTQZYQBOSA-N	235.243	-0.139	50	10	BBGE	
O=C(Cc1ccc(B(O)O)cc1)NC1CC1	716784358	NLZSKXWXWMQVFP-UHFFFAOYSA-N	219.049	-0.813	50	10	BBGE	
O=S1(=O)CC(CN[C@@H]2COC[C@H]2Cl)C1	722780044	NELJAQHYNKNHJR-HTQZYQBOSA-N	239.724	-0.373	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1CCN(O)C1=O	820175099	SIVHRCLTKSXWBE-CZEYKFRCSA-N	239.231	-0.463	50	10	BBGE	
CC[C@H](C(=O)NNc1nnc(C)n1C)N(C)C	856046645	CYWZPBQDBIBKAZ-MRVPVSSYSA-N	240.311	-0.093	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN=Cc2ncnn2C)O1	863167630	BUWDYTPNFUELFL-HTQZYQBOSA-N	237.263	-0.167	50	10	BBGE	
COCCOCC(=O)NNC(=O)/C=C/C1CC1	869910554	UUNUMILFEDYHSL-SNAWJCMRSA-N	242.275	-0.237	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccn1C	929436730	UFODJGYGHNNDCU-VXNVDRBHSA-N	237.259	-0.179	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)Nn2cnnc2)cn1	1446850125	SNCOTNOZKULHQT-XNWCZRBMSA-N	243.230	-0.311	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1cnsn1	1455601436	VAZPGAGEESDLBV-IHWYPQMZSA-N	212.234	-0.125	50	10	BBGE	
CC(=O)NNC(=O)C1CCC(NC(C)=O)CC1	1628978694	QIALTKDSEYZHPX-UHFFFAOYSA-N	241.291	-0.151	50	10	BBGE	
CC(C)(C)OC(=O)NCCC(=O)NCB(O)O	1880031213	QRIULHWLUGHRFM-UHFFFAOYSA-N	246.072	-0.971	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1S(=O)(=O)CCl	1880868139	FLNFSSLSBOVAGP-WDSKDSINSA-N	213.686	-0.032	50	10	BBGE	
CO[C@H]1COC[C@@H]1NS(=O)(=O)CCl	1881949971	AITNUXUSZFODRB-WDSKDSINSA-N	229.685	-0.484	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@@]2(CCOC2)C1	1885212368	QKXJVQWXMHHVKI-XPUUQOCRSA-N	201.226	-0.893	50	10	BBGE	
C[C@H]1COC[C@H]1OC[C@@H](C)C(=O)NN	1888708506	UDITXRGSIYQAMC-XLPZGREQSA-N	202.254	-0.336	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]1CF	1892436786	VWCBIVJHONPSFP-ZETCQYMHSA-N	203.217	-0.803	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@@H]2C[C@H]2Cl)C(=O)N1	1893469850	NBUDVUZSMMROOP-WDCZJNDASA-N	216.624	-0.855	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H](O)C1	1895032869	GVMVPDBIFBPCGD-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@H]2CC2(F)F)O1	1896174944	BBDJERWBKUYQFQ-VQVTYTSYSA-N	236.218	-0.052	50	10	BBGE	
O=C(c1cccnn1)N1CC[C@@H](B(O)O)C1	1902510455	CDLGRJKHXSMKQO-SSDOTTSWSA-N	221.025	-0.835	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@@H]3C[C@@H]32)n1	1907006401	ZNGBPKYIAALEPO-JGVFFNPUSA-N	238.247	-0.749	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=C[C@@H]1CO	1909054488	DTIFOQJAYGUOMA-XHNCKOQMSA-N	213.281	-0.766	50	10	BBGE	
CC1(C(N)=O)CN(S(=O)(=O)CCCl)C1	1914232752	UYTOGGCKKDIGBX-UHFFFAOYSA-N	240.712	-0.638	50	10	BBGE	
NNC(=O)COCCN1CC2(CCOCC2)C1	1915591245	ZKELDVWCSOBFIX-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
N#CC1=CCN(C(=O)N[C@H](CO)C(=O)O)CC1	1917046792	NIEUYLJUXLVIFN-MRVPVSSYSA-N	239.231	-0.703	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)O	1927183806	ZDBWVMDCTJTVMJ-YUMQZZPRSA-N	245.279	-0.216	50	10	BBGE	
C[C@H](NC(=O)NN)[C@H]1CCCS(=O)(=O)C1	1928366569	YATLKAAAWPMUFW-BQBZGAKWSA-N	235.309	-0.627	50	10	BBGE	
O=C(CCCl)NCCn1cnnn1	1928856025	AHKPZCIBVUNVJM-UHFFFAOYSA-N	203.633	-0.582	50	10	BBGE	
C[C@H]1[C@@H](Cn2cc(B(O)O)cn2)C1(F)F	1931659836	YQOMGUSHXAWPJU-CAHLUQPWSA-N	215.996	-0.536	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C(=O)N1C	1936022968	YTQZUTZQBSSUHH-ZETCQYMHSA-N	228.296	-0.242	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1CCOCC1	1936093206	BRZKGHYNZIZWFH-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCOCC(=O)NN)C(C)(C)CO	1936528297	FVCJXUALRIXDTF-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)Cn2cncn2)C1	1937194679	SSSKCZJVLIVLME-HTQZYQBOSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)C(=O)NCc1cc(C(F)F)no1	1937935189	ORQLGXLEWURCDF-UHFFFAOYSA-N	234.162	-0.782	50	10	BBGE	
CCC[C@]1(O)CCN([C@@H](CC)C(=O)NN)C1	1937987911	UILMNSPCDCHRSU-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@@]1(C)CCOC1	1941087618	XUIJSVZEOAUUBT-HOSYDEDBSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C[C@H]1C[C@H]1C(=O)NN	1941089251	UZWKBXMZHAFICJ-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@H](O)C[C@H]1C	1944581897	YBVAPJATLBJKMH-QXFUBDJGSA-N	243.307	-0.755	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@]12COC[C@H]1C2	1945882990	RHIHFSGMSRAASS-BXKDBHETSA-N	239.319	-0.275	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@H]1C=O	1946672387	FJRCTPRCAKQVOX-SCZZXKLOSA-N	241.291	-0.547	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C)C(=O)CC1	1947190318	XREOFKCTPGMJMJ-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
Cn1cncc1CN1CCC(B(O)O)CC1	1951321805	HPKJFCKOPWNAOX-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
CC(C)(C)[C@@H]1OCCC[C@@]1(N)B(O)O	1955483808	RTOAFAFETNZPQH-CBAPKCEASA-N	201.075	-0.079	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)C[C@@H]1CO	1956256410	NRRAMRAOFOGIBU-BDAKNGLRSA-N	222.716	-0.806	50	10	BBGE	
CC1(C)CN(C[C@@H](O)CCl)CC(=O)N1	1956260509	MDVYIZNFKLNCKY-ZETCQYMHSA-N	220.700	-0.204	50	10	BBGE	
CC(C)(C)C(=O)NCCCNC(=O)NN	1958228102	HONGQUFLNBHPJW-UHFFFAOYSA-N	216.285	-0.288	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2CC(C2)C1	1959798825	XRJGXMQZUXNHCH-HORUIINNSA-N	209.293	-0.046	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961922296	SLHDSYSKXRAEMB-JDDHQFAOSA-N	230.695	-0.067	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961926419	MUOJTHNMEDRYRT-FHNUBNKASA-N	235.711	-0.598	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H](O)C2	1961927291	UBZKPKFSVCHIIT-KVEIKIFDSA-N	233.695	-0.044	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1	1962744423	WTLMFCOHEWBIED-LBPRGKRZSA-N	243.071	-0.396	50	10	BBGE	
CC(C)(CCN1CC=C[C@@H](O)C1)C(=O)NN	1978921134	YUYCMFQIOFIPBG-SECBINFHSA-N	227.308	-0.375	50	10	BBGE	
CN(CC(=O)NN)C[C@H](O)C1CCCCC1	1979847757	XESJRGDGBHYPLH-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1[C@@H](C)C(=O)NN	1980857234	ZFIDQIJJGVHWMK-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ncccc1B(O)O	1981425388	FZVQRXTVBIEINK-HTQZYQBOSA-N	224.044	-0.302	50	10	BBGE	
Cc1nn(-c2ncncc2B(O)O)cc1Cl	1981465114	JYHBOBUVTKERNC-UHFFFAOYSA-N	238.443	-0.696	50	10	BBGE	
Cc1nc(Sc2ncco2)ncc1B(O)O	1981465164	KRWIRTPLUROUCU-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccoc1	1990775276	UCECRGLCCVRQBE-UHFFFAOYSA-N	225.248	-0.121	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(SC(C)C)C1	1990777396	ZSENEYIONXVBNQ-UHFFFAOYSA-N	245.348	-0.021	50	10	BBGE	
OC[C@H](O)CN1CCN(C[C@H]2C[C@H]2Cl)CC1	1991451369	KJNDUXXESKQMEM-GMTAPVOTSA-N	248.754	-0.416	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC12CCCC2	1992153921	SZUQBOABQUYDFX-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
Cc1noc(CN(C)[C@H](C)[C@@H](C)C(=O)NN)n1	1997733767	SHVBGZUKPRVBHS-RNFRBKRXSA-N	241.295	-0.176	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H](CB(O)O)C(=O)O)o1	1998134866	IEEALWJGHSFZPD-LURJTMIESA-N	241.008	-0.756	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](OCCO)C1	2001032685	ZKKHLTCVEVDHRE-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H]2CC[C@@H]21	2002917386	SEFFUKDKDCXFRW-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1C(CN(C)c2ncc(B(O)O)cn2)[C@H]1C	2004916514	MFKOUAFDHUIIIK-YUMQZZPRSA-N	235.096	-0.505	50	10	BBGE	
CCCN(CCOC)c1ncncc1B(O)O	2004918550	NARXNDJGLMKGJJ-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
CC[C@@H]1CCCN1c1nc(C)ncc1B(O)O	2005015356	ZIWMSQHORCILJG-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
CO[C@@H]1CCN(c2ncc(C)cc2B(O)O)C1	2005017842	KZRAWAFSQBQZBX-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2008045279	HPBPVZUZCHHHBD-CHWFTXMASA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CO)C12CCC2	2016081421	VFHVDWPROJWEBT-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COCC[C@@H]21	2017900523	IPSZDLMMIWWPQX-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
Cc1cc(O[C@H]2CCN(C)C2)ncc1B(O)O	2021068378	OQWHKEOEXZFFEG-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncc(B(O)O)c(C)n1	2022578005	BOMBOCIKWYUZAG-DTWKUNHWSA-N	236.080	-0.110	50	10	BBGE	
O=C(CN1CCN[C@@H]2C[C@H]21)NNc1ccccn1	2034678967	NIXADUYOAVDQOS-NXEZZACHSA-N	247.302	-0.429	50	10	BBGE	
CCC(C)(C)Cn1cnc2c(B(O)O)ncnc21	2055736394	QDTNRLRCCZVVNQ-UHFFFAOYSA-N	248.095	-0.058	50	10	BBGE	
CCOc1cc(F)cc(C=O)c1B(O)O	2060113065	CIQNVDHFCKNXAX-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(CC(=O)NN)cc1	2062245022	MBEZEQKVOGTKKN-JOYOIKCWSA-N	249.314	-0.216	50	10	BBGE	
CCc1ccn(Cc2nn(C)cc2C(=O)NN)n1	2063900352	KTRTYNGMTZOYJJ-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2070844081	QLRFUWVZFWSLNS-LDVPIJFRSA-N	244.103	-0.148	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC12CCC(CC1)O2	2071775152	NGGRUVRABMFYKM-UHFFFAOYSA-N	249.075	-0.760	50	10	BBGE	
N#Cc1ccc(CC(=O)NCC=CB(O)O)cc1	2076077389	YGRGODVGIMXZCA-UHFFFAOYSA-N	244.059	-0.215	50	10	BBGE	
CC12CC(CN1C(=O)c1ccccc1B(O)O)C2	2079011910	LHWOJMHHRHMNEN-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
Cn1cnc(COCc2ccc(B(O)O)cc2)c1	2080329330	HJVGKPAGFCLFQA-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@@H](CS[C@H]1CCNC1)C(=O)NN	2209391639	NEKONDUAMJBWBR-BQBZGAKWSA-N	203.311	-0.293	50	10	BBGE	
CC(=O)Nc1ccc(Cl)c(B(O)O)n1	2210102739	FKWDQBQYQYPLCS-UHFFFAOYSA-N	214.417	-0.627	50	10	BBGE	
OB(O)c1ccc(CN2[C@@H]3COC[C@H]2C3)s1	2211073038	VAODQHJNEGAEHQ-OCAPTIKFSA-N	239.105	-0.599	50	10	BBGE	
CCN(CCO)Cc1cccc(B(O)O)c1	2211131993	GIZSOFIGBOTFHA-UHFFFAOYSA-N	223.081	-0.819	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1CC(O)C1	2212266801	QNBOFZAZTMPBFZ-UHFFFAOYSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1ncccc1B(O)O	2212612057	HRTLVSYRHZAYAZ-IONNQARKSA-N	222.053	-0.792	50	10	BBGE	
CC1(F)CC(Nc2ncc(B(O)O)cn2)C1	2212615831	VHLWJNCYRMRYEO-UHFFFAOYSA-N	225.032	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213023526	DICTTYYUIYLCIG-HHKYUTTNSA-N	241.335	-0.296	50	10	BBGE	
C[C@]1(CCO)CCN1CC1(C(=O)NN)CCC1	2216493035	XOMUBZDHXUQQML-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
CON(CC1(C(=O)NN)CCC1)[C@@H]1CCOC1	2216527960	JRSPWNNAOJFEOQ-SECBINFHSA-N	243.307	-0.201	50	10	BBGE	
OB(O)c1ccnc(-n2ccnc2C(F)F)c1	2217170986	YWBGBPPCCORLAJ-UHFFFAOYSA-N	238.990	-0.115	50	10	BBGE	
CC[C@@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2217172724	LYHZXLWYFRWOLJ-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC(F)(F)C2)nc1	2217173184	OTHVHZQCKSTPMN-SSDOTTSWSA-N	243.022	-0.244	50	10	BBGE	
C[C@H]1C[C@@H](COc2ccc(B(O)O)cn2)CN1	2217173676	QKOWLLDJOOUBGQ-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
CO[C@@H](C)CCN(C)c1cc(B(O)O)ccn1	2217177328	HWCAWGFXAJHXRV-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
N[C@@H]1CCC[C@@H]1COc1cc(B(O)O)ccn1	2217189151	YXMGWESBFVDTNI-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@H](O)CN(C)c1cc(B(O)O)ccn1	2217203376	UCVOKEKGAVHFMS-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3[C@@H]2C[C@H]3O)c1	2220071651	LFUXFVZZYHLWFE-RWMBFGLXSA-N	247.103	-0.679	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1	2223636818	BBCNZZJYMOVYQK-JGPRNRPPSA-N	248.091	-0.117	50	10	BBGE	
NC[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CC1	2223637157	OPYGUFBANUSLHT-HOMQSWHASA-N	249.123	-0.309	50	10	BBGE	
C#C[C@H]1CCCN(c2cc(B(O)O)c(C)cn2)C1	2223641789	WNLPDXDEQZAETP-NSHDSACASA-N	244.103	-0.081	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H](O)[C@H]2C3)cc1B(O)O	2223648599	NKXZIXPXEDVGGO-IEBDPFPHSA-N	248.091	-0.971	50	10	BBGE	
Cc1c[nH]c(=NCCC2CC(N)C2)cc1B(O)O	2223651312	BQOJCRBQNNUVLK-UHFFFAOYSA-N	249.123	-0.969	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3[C@@H](O)C[C@@H]32)cc1B(O)O	2223651629	DGJBKBPHQNLAGV-LSJOCFKGSA-N	248.091	-0.971	50	10	BBGE	
CCN(C[C@H]1CCCN1)c1cc(B(O)O)ccn1	2223678359	AMQBXJVNZWEXJA-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)[C@@H](O)CC1	2241589177	MIAWJKYJZFYDLK-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
NC(=O)C[C@H]1CCCN1C[C@H](O)CCl	2241683916	MVUZUQGXSZRGRJ-HTQZYQBOSA-N	220.700	-0.074	50	10	BBGE	
C[C@@H](Cl)CC(=O)n1c(O)cc(=O)n(C)c1=O	2243050400	SQPHBPLSOVJAMN-RXMQYKEDSA-N	246.650	-0.090	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1sccc1B(O)O	2243362202	NPMUAAVSSOLZGH-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCCF	2243404172	KMGHGQODKKQQNA-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H](C)C(=O)O	2243758380	DWXLBVDDEONZCA-ZCFIWIBFSA-N	229.041	-0.685	50	10	BBGE	
O=C(CC1(F)CCC1)NCCC#CB(O)O	2244546957	SYPXVIKSLYKDPS-UHFFFAOYSA-N	227.044	-0.210	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(C)(F)C2)n1	2247235664	QAMBDVXOYCUWGM-UHFFFAOYSA-N	240.043	-0.682	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247731982	BOEDRFWXMZXENP-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)oc1C)C(C)C	2247732695	IAFPVRPFXYTOIL-UHFFFAOYSA-N	241.052	-0.320	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)C1(B(O)O)CCC1	2247733168	NBBRSHWXDVUREJ-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
C=CCN(C(=O)c1ccoc1B(O)O)C(C)C	2247740138	GOEKSLWYKAXMNP-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
O=C(C#CB(O)O)NCCC1(O)CCCCC1	2247742091	KOQREBMPMKKVBM-UHFFFAOYSA-N	239.080	-0.797	50	10	BBGE	
O=C(NCC1CC1)c1ccc(B(O)O)cc1F	2247752970	ZHCLXQAYJJPIHW-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cc(B(O)O)cn1C	2247762277	CWAIPBYJRVPUTO-MRVPVSSYSA-N	236.080	-0.671	50	10	BBGE	
C=C1CC(CO)(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247787036	KDFUGOSQZNOYSL-KYZUINATSA-N	239.080	-0.563	50	10	BBGE	
CCC[C@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCOC1	2247801110	XEMTZDXUUBJWCK-YWVKMMECSA-N	241.096	-0.075	50	10	BBGE	
CN(C)[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247805030	AGRYTAVSOYRKTL-FXPVBKGRSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCC1CC2(CCN2)C1)[C@H]1C[C@H]1B(O)O	2247809985	SWCJEGLXKLGAST-UVCIYIGYSA-N	238.096	-0.892	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCN1	2247873730	FQVBQIVEXXZYKF-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
C[C@H]1COCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247874983	RFZMDHITVBJWMF-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CC(C)[C@@H](C)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247886222	ZIXVBPNFDOPOHM-SSDOTTSWSA-N	239.084	-0.794	50	10	BBGE	
O=C(NC1(CO)CCCCC1)[C@H]1C[C@H]1B(O)O	2247897714	WIMVDFRPRJCCSB-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898155	ATKQGCOZSIKFRF-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247899771	PZBZDTMOYKOWPY-CIUDSAMLSA-N	241.096	-0.219	50	10	BBGE	
NC[C@H]1C[C@](F)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900052	SLZWLXQYQPOBPT-ODXREFDESA-N	244.075	-0.958	50	10	BBGE	
C[C@H]1CNC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904088	OSONMCHHWVHELB-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C(=O)C1CC(B(O)O)C1	2247904549	PYLVPIUKIQLCBK-OXYCZDQYSA-N	238.096	-0.846	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H](F)[C@@H](CO)C1	2247908969	CNCXUQHYGDZECR-HXFLIBJXSA-N	245.059	-0.972	50	10	BBGE	
O=C(Cc1cc[nH]n1)N[C@@H]1CCC=C1B(O)O	2248396143	VZAZOMOKMUAAFW-SECBINFHSA-N	235.052	-0.831	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248587503	QFHJGHFVJJWJQO-SZWNGJMLSA-N	247.031	-0.833	50	10	BBGE	
N#C[C@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2250814889	MJERYUYMTGIXDW-VIFPVBQESA-N	232.048	-0.703	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2251026452	SRUMPORRMBCTNT-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
COc1ccc(B(O)O)c(N2[C@H]3CCC[C@@H]2C3)n1	2254584618	FGEFXFORMGHAHO-DTORHVGOSA-N	248.091	-0.099	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]1C1CC1	2255466400	YGRHCCKXXHJBCQ-LLVKDONJSA-N	248.091	-0.291	50	10	BBGE	
Cc1cc(C(=O)NCc2cc[nH]c2)oc1B(O)O	2255572890	DJBVRBDXEOKQGP-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C=C[C@H]2C3)oc1B(O)O	2255577533	WBMAPZLZCIDTPG-IUCAKERBSA-N	247.059	-0.332	50	10	BBGE	
C#CC1(CNC(=O)c2ccc(B(O)O)o2)CCC1	2255670183	DKFYFEFRHXYKEX-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
C=CCN(CCC)C(=O)c1ncncc1B(O)O	2255730378	LJZQIVCKHYNTGJ-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1c(C)cccc1B(O)O	2255730434	MCDZCQJZRBRPBA-VHSXEESVSA-N	249.075	-0.808	50	10	BBGE	
Cc1cc(CN(C)C(=O)C2(B(O)O)CC2)ncn1	2255732603	XWGAEIGOFNKUPQ-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C1CC1	2255734960	KHIZQWHCPMUVGX-ZJUUUORDSA-N	248.091	-0.767	50	10	BBGE	
N#Cc1ccc(=NC(=O)C2(B(O)O)CCC2)[nH]c1	2255741934	QNIHQRUGHREHRG-UHFFFAOYSA-N	245.047	-0.289	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255937876	ZYJZFOKYZKNCCJ-MRVPVSSYSA-N	247.059	-0.786	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1nccnc1B(O)O	2256055041	RVDZRXRRRYQRQE-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)Nn1cccc1	2257487788	QKUFQEMTYLUGMY-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
NC[C@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2259939799	GNHRMQWAGCHIDE-AAEUAGOBSA-N	246.119	-0.853	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2COCC[C@@H]21	2298165545	IRSFCFWPKGDDPH-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368439	DXXBYJQIATWQKS-MQIGXGKASA-N	241.096	-0.533	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2COC[C@H]2C1	2298375113	PXOSBQPONXQVOB-DOLQZWNJSA-N	239.080	-0.656	50	10	BBGE	
O=C(NC1CC1)c1cc(F)c(B(O)O)cc1O	2301392698	GGLHBQPXFVBBSC-UHFFFAOYSA-N	239.011	-0.897	50	10	BBGE	
C[C@H](COC[C@H]1OCCOC1(C)C)C(=O)NN	2301612834	ABRVYYHVCGGBQA-RKDXNWHRSA-N	246.307	-0.177	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	2302404449	YTNVOBIBONPIQL-LMLFDSFASA-N	240.351	-0.221	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@H]2CCCCNC2=O)C1	2303098803	HFDYPEJYABJOCT-GXSJLCMTSA-N	240.112	-0.406	50	10	BBGE	
CC[C@@](C)(CN1CCN(C)[C@@H]2C[C@@H]21)C(=O)NN	2303420453	WWNGGIZOUDGPHG-SCVCMEIPSA-N	240.351	-0.219	50	10	BBGE	
CC[C@@](C)(CN1CC(CN(C)C)C1)C(=O)NN	2303427028	UPNAJTXGXSZGOU-LBPRGKRZSA-N	242.367	-0.114	50	10	BBGE	
CC1(O)CC(Nc2cc(B(O)O)c(F)cn2)C1	2303847827	OWMJGKJNTVNTGK-UHFFFAOYSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1cc(N2CCC=C(F)C2)ncc1F	2303848217	WCBXOEUXJXGFBY-UHFFFAOYSA-N	240.018	-0.036	50	10	BBGE	
C#CC1(F)CN(c2ccc(B(O)O)cc2C#N)C1	2317151788	UZQMQXUJJJZCHJ-UHFFFAOYSA-N	244.034	-0.600	50	10	BBGE	
C[C@@H]1COCCN1c1ccc(C=O)c(B(O)O)c1	2317311808	VUNAXXRAQFASCA-SECBINFHSA-N	249.075	-0.596	50	10	BBGE	
O=P(O)(O)C[C@@H](O)CBr	34410681	HBYWJXUMHIZINW-VKHMYHEASA-N	218.971	-0.080	50	10	BBGE	
CN1CN(C)C(=O)C(Br)C1=O	39110366	UHPWJVHUVWTQGA-UHFFFAOYSA-N	221.054	-0.362	50	10	BBGE	
CC(C)N(C)CCn1cc(C(=O)NN)nn1	82466233	MROWXCDQICJVHZ-UHFFFAOYSA-N	226.284	-0.778	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NNC(=O)OC(C)(C)C	83291774	DYPBFFCYHXXAFR-RITPCOANSA-N	233.268	-0.750	50	10	BBGE	
N#C[C@H]1CN(CCCCC(=O)NN)CCO1	86656754	RRCIKRMFVMZSOK-VIFPVBQESA-N	226.280	-0.629	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C(=O)CCCl	130221260	TXXVUFVNNRPWBM-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
O=C=NS(=O)(=O)C1CCS(=O)(=O)CC1	157715326	ZRHFUBDLBUFECL-UHFFFAOYSA-N	239.274	-0.771	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCOC[C@@H]1CCl	159437877	SLZJAASBKSLBTR-IUCAKERBSA-N	249.694	-0.132	50	10	BBGE	
N#Cc1cccn1Cc1cc(C(=O)NN)no1	160508218	AIWBQRJASSMIEX-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCC)CCO	212038803	ROTIPYOWHGAPMU-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C)CC1	232418869	PFFDFDWNVCCTAO-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](OC)[C@H](OC)C1	233356614	FWWIADYFKXKFTL-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
Cc1cc(=O)c(C(=O)NNC(N)=S)c[nH]1	235742386	YJMUUYICEGJBPF-UHFFFAOYSA-N	226.261	-0.839	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1[C@H](COC)C(=O)NN	300017582	CNLYXVCISQOAPB-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCN(C)C[C@H]1C	300355824	SNHDVRKSBOSFRM-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
Nc1sc2c(B(O)O)cccc2c1N	306693848	UGKUWDBQBZQYLT-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
OB(O)c1c(O)ccc2scc(O)c12	307057171	XJEJJFAXZVOZNI-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1sc2c(O)cccc2c1O	307497511	JSCMGBQVNZIZPV-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(CN)C1	309044616	MEGQMMGGKQLOBS-PSASIEDQSA-N	214.313	-0.574	50	10	BBGE	
CNC(=O)/C(C#N)=C(/C=C\N(C)C)NC	379700629	HYCIYVXEZFJXTQ-AFJQJTPPSA-N	208.265	-0.195	50	10	BBGE	
CC(C)(CO)[C@H](N)c1ccc(B(O)O)cc1F	383707785	DVHANWOXPAKRGW-SNVBAGLBSA-N	241.071	-0.476	50	10	BBGE	
CC1(C)CN(CCCCC(=O)NN)C[C@@H]1O	388183404	NKNHQZLYVRZMFG-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC2(CN(C)C2)C1	398765870	XNOVDZUZLKLWPQ-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C2COCC1COC2	399905120	CDCALQRWJMYOKT-XNWIYYODSA-N	243.307	-0.755	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H]1CCCOC1	402713625	TULQBLVOUTVRLF-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)[C@H](C)CO1	404016720	DLSTVLUPNLYRTA-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)NCC[C@]1(O)CCOC1	404162195	SRPKLSVMFCYOFC-QMMMGPOBSA-N	207.657	-0.117	50	10	BBGE	
CSCC(=O)NCc1cc(B(O)O)cs1	404997721	HVXDSOJUFVJVOO-UHFFFAOYSA-N	245.134	-0.593	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnccn1	405013506	VVSUWDPGGRJWDH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
COC(=O)NCc1ccccc1B(O)O	405069087	ADVKTFZYIMZJSC-UHFFFAOYSA-N	209.010	-0.778	50	10	BBGE	
C[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1N=C=O	693477129	WVZXIQJSYKLUBR-SFYZADRCSA-N	218.278	-0.008	50	10	BBGE	
NNC(=O)C(=O)NCC1(C(F)F)CC1	697837464	MBAPAQGZWUFLOT-UHFFFAOYSA-N	207.180	-0.862	50	10	BBGE	
OB(O)c1ccc(Cn2ccnn2)c(F)c1	699050117	OGAJVHPTFOTBIY-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](C(=O)O)C(F)(F)C1	700477589	SFNYBVXFSNRNFJ-RXMQYKEDSA-N	237.206	-0.176	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CN(C)CC(=O)NN)[C@@H]1C	701354851	OLYWJKRQEAZSOL-RGOKHQFPSA-N	229.324	-0.032	50	10	BBGE	
C[C@@H]1COC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	703425000	LSFIJYGDEXHYRX-RYPBNFRJSA-N	225.244	-0.062	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)N(C)C	703468815	FYKFRRWMERFNOT-VGMNWLOBSA-N	226.276	-0.147	50	10	BBGE	
CCC1(O)CN([C@@H](CC(C)C)C(=O)NN)C1	710027653	XJWHJZHXYXDXBI-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
Cc1oc(CN2CCNC2=O)cc1C(=O)NN	710183001	ZYQPCLKTKLSEJY-UHFFFAOYSA-N	238.247	-0.283	50	10	BBGE	
C[C@H](C(N)=O)N(C)Cc1ccoc1C(=O)NN	711135501	OWCAJCDRXXURNO-ZCFIWIBFSA-N	240.263	-0.811	50	10	BBGE	
CC(=O)N1CCCc2cccc(B(O)O)c21	712182716	UFLPVVZFIHVSHO-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\C=C(NN)NC=N1	714559592	CZPZSOMWUBJWGY-VOTSOKGWSA-N	221.220	-0.737	50	10	BBGE	
OB(O)c1cccc(Cc2nnco2)c1	716785156	ZXOGDROIDFECEQ-UHFFFAOYSA-N	203.994	-0.660	50	10	BBGE	
CC(C)(C)C(=O)NCc1cnc(B(O)O)s1	718858933	GBABYKAJIACABP-UHFFFAOYSA-N	242.109	-0.515	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](C(C)(C)O)C1	719666345	IWODYMKBNHRWEC-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC1(NC(=O)C(=O)NN)CC(F)(F)C1	720968366	AMJZSOZDZBOEAS-UHFFFAOYSA-N	207.180	-0.720	50	10	BBGE	
COC(=O)[C@@H]1C=C(B(O)O)S[C]1C	725593488	QUXSHVXGDDCUAF-RXMQYKEDSA-N	201.032	-0.030	50	10	BBGE	
CO[C@@H](C)C(C)=NNC(=O)c1cn(C)nn1	853386086	TYYYYKJXDPJYSI-ZETCQYMHSA-N	225.252	-0.044	50	10	BBGE	
CC[C@@H](O)CC(=O)NNC(=O)c1cn[nH]c1	862469706	SGJLVHIPLCPPJT-SSDOTTSWSA-N	226.236	-0.668	50	10	BBGE	
CC1(O)CCC(=NNC(=O)CO)CC1	863105140	XWYPFNODSUEVBO-UHFFFAOYSA-N	200.238	-0.224	50	10	BBGE	
O=S(=O)(CBr)N[C@@H]1CNOC1	923726578	YJQQCMSCYPYFRZ-SCSAIBSYSA-N	245.098	-0.838	50	10	BBGE	
O=C(NN=Cc1ccc(O)c(O)c1)c1nc[nH]n1	1084232485	MNWSKNGULHWAKR-UHFFFAOYSA-N	247.214	-0.020	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ncon1	1157784006	VSRQBCJSUWRSOB-NTSWFWBYSA-N	240.219	-0.744	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CCC(F)F)nn1	1328440347	XSYKPCXJBPKGNC-UHFFFAOYSA-N	247.205	-0.379	50	10	BBGE	
COC(=O)c1cc([C@@H]2CC(=O)OC2=O)n(C)n1	1535787174	NUFLVEIKPUGWCR-YFKPBYRVSA-N	238.199	-0.236	50	10	BBGE	
CN(NC(=O)c1cnnn1C)c1ccccn1	1629716735	ODXIXYXTKNGAHS-UHFFFAOYSA-N	232.247	-0.009	50	10	BBGE	
CN(C[C@H]1C[C@H]1Br)S(N)(=O)=O	1880431346	DNAWJCZPQDPMPQ-RFZPGFLSSA-N	243.126	-0.095	50	10	BBGE	
NCCN(CCO)C(=O)[C@H]1C[C@H]1Cl	1883644921	KJPKRORAACOXSC-NKWVEPMBSA-N	206.673	-0.607	50	10	BBGE	
CC(C)[C@@H](OCCN(C)C)C(=O)NN	1884724499	GHWWTOCFHHBVTN-MRVPVSSYSA-N	203.286	-0.421	50	10	BBGE	
COC[C@]1(C)CCN1CCC(=O)NN	1884804956	VHHNXABKLYPIBI-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H](C)N(C)C	1888051418	XSGLAYICROWIAY-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
O=C(O)C1(NC[C@H]2C[C@@H]2Br)CNC1	1893005567	JBFMSSOXSMCPHC-RITPCOANSA-N	249.108	-0.214	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC([N+](=O)[O-])C1	1893404550	HVEOUYCWUVHFTL-UHFFFAOYSA-N	218.596	-0.205	50	10	BBGE	
NCC1(NC(=O)/C=C/C(=O)Cl)COC1	1893497983	NSZHLHMWWVDNRQ-OWOJBTEDSA-N	218.640	-0.848	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]1CF	1896771486	CCEDQAPJMKQBEU-SFYZADRCSA-N	225.028	-0.866	50	10	BBGE	
CS[C@@H](C)C(=O)Nc1ccc(B(O)O)cn1	1899656762	GTUBUYUOFPPAJG-LURJTMIESA-N	240.093	-0.549	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2C(N)=O	1900616354	MBOITVMQXIXKNV-NGJRWZKOSA-N	213.668	-0.220	50	10	BBGE	
C=C[C@H](CCl)NS(=O)(=O)c1nc[nH]n1	1901634231	AKMHEQVJMDFZNU-RXMQYKEDSA-N	236.684	-0.124	50	10	BBGE	
Cc1scc(C(=O)N2CCCO2)c1B(O)O	1902869062	UQKKDYMWXSHPPT-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CC[C@@H](C2)C1=O)C(=O)NN	1912256123	MLFZLWRTIMOMEI-CSMHCCOUSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](N=S1(=O)CCOCC1)[C@@H](C)C(=O)NN	1913860917	GKELVYLGDAOXMF-SFYZADRCSA-N	249.336	-0.501	50	10	BBGE	
CCN(C1COC1)[C@@H](C)[C@@H](C)C(=O)NN	1915658068	NEGPNXGTMIJFAT-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
ClCCN(CCn1cnnn1)C1COC1	1915683151	DVEIERPEPQJFQP-UHFFFAOYSA-N	231.687	-0.387	50	10	BBGE	
CN(C)[C@@H]1CN(CCOCCCl)C[C@@H]1O	1928376014	CCQCEEPOPYTBIM-ZJUUUORDSA-N	236.743	-0.152	50	10	BBGE	
CS(=O)(=O)CCNC[C@H]1COC[C@@H]1Cl	1933391846	IXNMCCILJMGYJQ-YUMQZZPRSA-N	241.740	-0.126	50	10	BBGE	
CN(C)[S@](=N)(=O)N1CCC(O)(C#N)CC1	1933477236	OXINRIQEZLDARM-HNNXBMFYSA-N	232.309	-0.225	50	10	BBGE	
CC(C)OC(C)(C)Cn1cc(B(O)O)cn1	1935540568	ADJXUFSRAXYNCX-UHFFFAOYSA-N	226.085	-0.234	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CC(F)(F)C(=O)NN	1935928964	MPKODUISYMFKEF-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
CC1(C)CN(CC(F)(F)C(=O)NN)C[C@H]1O	1935940219	BBWLISHQSOVABH-ZCFIWIBFSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1CCC(=O)N(CCOCC(=O)NN)C1	1936529226	LCOBWALAZHQJOR-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COC[C@H]2CCl)n1	1937181517	KFKFOEYDLNMTJB-HTRCEHHLSA-N	244.682	-0.201	50	10	BBGE	
COCC[C@H]1CCCN(CC(=O)NN)C1=O	1938009791	ITVZJQHPFOFDOP-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](O)C12CCC(CC1)N2CCC(=O)NN	1938705749	XKWNPPIDQRWDFX-FKTRJACZSA-N	227.308	-0.256	50	10	BBGE	
CCCN(CC(=O)NC)C[C@H]1C[C@@H]1C(=O)NN	1941089583	WGAFXEUEEFDGOI-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
CN1CCC2(CCCN2CCC(=O)NN)CC1	1941645241	YKWFPVWYDGESCV-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CCOC[C@H]1CCN(CCOCC(=O)NN)C1	1941773285	VTVWYQOQGWLYNC-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2OCCO[C@@H]2C1	1946396426	IAAOJEFUHPBILS-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
Cc1cc(CN2CC[C@@H](B(O)O)C2)nn1C	1951320132	DLHCDFRTCJSOLL-SECBINFHSA-N	223.085	-0.223	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CO[C@@H]2COC[C@H]12	1955216415	ZVAQHNMPTCKQQX-FSDSQADBSA-N	241.696	-0.484	50	10	BBGE	
O=C(O)[C@@]1(C[C@@H](O)CCl)CNCCO1	1956253260	WNIVHZSKCAXVRM-HTRCEHHLSA-N	223.656	-0.581	50	10	BBGE	
N#C[C@H](Cl)CN1CCOCC12CNC2	1957249369	JQXUXFJANGYDML-QMMMGPOBSA-N	215.684	-0.208	50	10	BBGE	
CCCN(C)c1ccc(B(O)O)c(C)n1	1961718616	QYCGGESDWWBSOH-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
CC1(CF)CN(CCOCC(=O)NN)C1	1975033538	QIDKGLOMHJQJMA-UHFFFAOYSA-N	219.260	-0.716	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)NC1CC1	1976031041	BYTPXYHOVPLYKM-UHFFFAOYSA-N	221.025	-0.955	50	10	BBGE	
O=C1CC[C@H](CNC(=O)NC(=O)CCl)CN1	1976302369	RBDIFRCUDMGEKF-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ncno1	1976744532	IHQYILXCIJAPPL-QMMMGPOBSA-N	227.268	-0.484	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)[C@H]1C[C@H]1C	1979617266	YLKVAKPVWIKBQY-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)Cc1ccsc1	1981026354	OWKNUDWZHCIRQK-MRVPVSSYSA-N	243.332	-0.079	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CCC(C)(C)C(=O)NN	1985572258	QNOWSXVOAXRXNL-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCC(C)(C)COc1ncncc1B(O)O	1985594349	GFMYEKGFGAFUCE-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
CC(C)(CN1CCC(F)(F)C1=O)C(=O)NN	1985695656	AYJRBMACZPCHHD-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1	1986840849	NASWMPLSPLMEKX-GJMOJQLCSA-N	246.694	-0.270	50	10	BBGE	
NNC(=O)N1CCOC2(CCC(O)CC2)C1	1988552866	NQMDKNSXQGOLID-UHFFFAOYSA-N	229.280	-0.424	50	10	BBGE	
Cc1ncnc(OCC(C)(C)F)c1B(O)O	1989424764	SPCLGBCBIGWRMO-UHFFFAOYSA-N	228.032	-0.408	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSC[C@@H](C)C1	1990774675	MFINSEIMRCDSSK-QMMMGPOBSA-N	245.348	-0.161	50	10	BBGE	
Cc1c(C(=O)NCC=CB(O)O)cnn1C	1991330498	MFRKELLEYPBJCJ-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
C=C(CN1CC[C@H](CCN(C)C)C1)B(O)O	1992152242	BVGAWRBPQZHRGN-NSHDSACASA-N	226.129	-0.172	50	10	BBGE	
NCCCSCC12CC(C(=O)NN)(CO1)C2	1993888820	JCFVVLRBTYIMJY-UHFFFAOYSA-N	245.348	-0.393	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCCNC1=O	2004246795	IDJXONIUHGJIFA-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(CCO3)C2)o1	2004490098	CSPDWBWKOZVXLG-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
CCCc1nccn1-c1ccncc1B(O)O	2005008010	QGDVBFUZLOSWKL-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@H]3C2)c(F)c1	2005014504	MJMZLPVJXYSYLC-SFYZADRCSA-N	236.055	-0.253	50	10	BBGE	
CC1(C)CO[C@@H](CN2CC(=O)OC(=O)C2)CO1	2007704183	VVJRMXKALDBFOG-QMMMGPOBSA-N	243.259	-0.434	50	10	BBGE	
CCOC(=O)NCCc1ccc(B(O)O)cc1	2008778882	BDPAWBLZRSKKAD-UHFFFAOYSA-N	237.064	-0.345	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(C2(O)CC2)CC1	2013930885	WEIVOKOFCWOVNH-JTQLQIEISA-N	241.335	-0.008	50	10	BBGE	
C=C[C@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	2018855525	HFSXVYFTONIDAZ-LBPRGKRZSA-N	239.319	-0.231	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1COCC1(F)F	2020350026	DCWLEWWVDPESEE-FXQIFTODSA-N	249.261	-0.422	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3C[C@H](N)C[C@H]32)CC1	2050082257	QFMZYJNFJYIMGA-FDNPJPRYSA-N	249.314	-0.153	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c1B(O)O	2053734091	CSEJYZBWZABQMF-UKKRHICBSA-N	244.103	-0.086	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(CCO3)C2)cn1	2056632944	AOTGYBQQVHENJJ-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
NCc1cc(B(O)O)ccc1C(F)(F)F	2059116364	KXBDNFLLPGXARF-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
COc1cc(C#N)c(OC(F)F)cc1B(O)O	2060293545	ZALFILGVLRBPTN-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
COc1cccc(C(=O)NCC#CB(O)O)c1C	2077483810	RPYKILLUPMJUGO-UHFFFAOYSA-N	247.059	-0.251	50	10	BBGE	
CCN(Cc1cc(B(O)O)cs1)OC	2209686149	MOWKFIZKKRCUMH-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
Cn1cn[nH]c1=NC[C@@H]1COC[C@H]1Cl	2209806293	RAUZZDZKZBAIJL-RNFRBKRXSA-N	216.672	-0.097	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210700376	XELHSTNQJFNATP-YIZRAAEISA-N	233.287	-0.450	50	10	BBGE	
C[C@@H](COCc1ccc(B(O)O)s1)N(C)C	2211072787	QVQQXTWKRIUNJR-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
Cn1ncnc1SC[C@H]1CC[C@@H]1C(=O)NN	2211839409	UKLHLYSKKSACKD-RQJHMYQMSA-N	241.320	-0.077	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C(C)(C)N	2212610369	HPTRAJZKJFJZGU-ZETCQYMHSA-N	223.085	-0.701	50	10	BBGE	
OB(O)c1ccnc(NC2[C@H]3CCC[C@H]23)c1	2212613664	YDULELNANAWBBO-IUCAKERBSA-N	218.065	-0.028	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213027309	NHNOZTHSHZXFBC-VPOLOUISSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2213955342	YZJGFWSGPZGSFG-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CC[C@@H](O)CN(C)Cc1cccc(B(O)O)c1	2214605857	PFXMKHKNLIBXON-GFCCVEGCSA-N	237.108	-0.431	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ncc(B(O)O)cn1	2214657424	ZNACNVNDMYCGIQ-ZETCQYMHSA-N	235.052	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2(CC[C@H]2O)C1	2215771146	GLQGJPQZHRWUCT-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H]3C[C@H]23)[nH]c1	2217175199	FVVMXOXNOXLGFB-WEDXCCLWSA-N	233.080	-0.964	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC=CC[C@@H]32)c1	2217175447	JAONJSNMRUXMSG-KOLCDFICSA-N	230.076	-0.084	50	10	BBGE	
C[C@H]1CCNC[C@H]1Oc1ncccc1B(O)O	2217181867	WFQRBOKLCOOJIH-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N2CC[C@@H](O)[C@H]2C)cc1B(O)O	2217182825	HHEIQMWQLPWPDD-PSASIEDQSA-N	236.080	-0.971	50	10	BBGE	
C[C@H]1NCC[C@H]1Oc1nccc(B(O)O)c1F	2217193789	XOOBGNJUROEBRZ-HTRCEHHLSA-N	240.043	-0.970	50	10	BBGE	
CN[C@H](C)C(C)(C)Oc1cc(B(O)O)ccn1	2217194211	SGMJSOIJKFDODY-MRVPVSSYSA-N	238.096	-0.473	50	10	BBGE	
C[C@@H](CC(C)(C)O)Nc1ccc(B(O)O)cn1	2217200278	JCGRYSOVOJRGFF-QMMMGPOBSA-N	238.096	-0.277	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CCCCC1	2217411356	SGVQHMMCOMKUOS-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
CO[C@@H]1C=CCN(Cc2cccc(B(O)O)c2)C1	2220062468	HOUCZABWKBAVAU-CYBMUJFWSA-N	247.103	-0.247	50	10	BBGE	
CCN1CCN(c2cc(B(O)O)ccn2)[C@@H](C)C1	2223625709	FMCLXUBJPAHCDV-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2223625909	GBYZPYWQBYQEKB-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2c2cc(B(O)O)ccn2)C1	2223632213	GXKVHSBWUJPSTQ-OTCDBFHCSA-N	247.107	-0.921	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](Nc1ncc(B(O)O)cn1)C2	2223643319	UPFZQHBGAZDZNX-FXPVBKGRSA-N	249.079	-0.864	50	10	BBGE	
Nc1cccc(COc2ncccc2B(O)O)c1	2223646150	GWHJTJWXWHSKCA-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
Cc1cnc(N(CCC#N)C2CC2)cc1B(O)O	2223646221	HZQVTNHCMKLESM-UHFFFAOYSA-N	245.091	-0.048	50	10	BBGE	
Nc1ncccc1Nc1nccc(B(O)O)c1F	2223649168	UYBDDFKNGURRPE-UHFFFAOYSA-N	248.026	-0.379	50	10	BBGE	
CCN1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223651819	FHVHCWMHQKAACT-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccccn1	2223668084	WQXURQNSQRZZFR-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
O=C(NCc1ccccc1)c1ccc(B(O)O)o1	2241468629	RKINQSRJLLMPBQ-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
COC(=O)c1ncc(B(O)O)cc1Cl	2241492739	FGSXHUMWZHJEAB-UHFFFAOYSA-N	215.401	-0.799	50	10	BBGE	
C[C@H]1CCN[C@H]1CSCC(=O)NN	2242140091	YXOZBYRZLNSPRD-BQBZGAKWSA-N	203.311	-0.293	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1C(=O)C#CB(O)O	2243362074	LOQMJYIZAHLHFR-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1occc1B(O)O	2243363310	DVUKZUWIWVLEAS-SSDOTTSWSA-N	221.021	-0.758	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1sccc1B(O)O	2243376752	OSCLUHQWNNNAOW-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
CCN(C[C@@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243382351	NQUBHKCOJFGNNL-IWSPIJDZSA-N	229.085	-0.531	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NCCCF	2243382550	PQDSHFVYVZBBIP-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC12COC2	2243392040	QOKQALDFDRAKCE-UHFFFAOYSA-N	225.053	-0.759	50	10	BBGE	
Cn1cccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243414659	FYQCKKPTVIAVGL-DTWKUNHWSA-N	222.053	-0.496	50	10	BBGE	
O=C(NCCOC1CC1)[C@H]1C[C@@H](B(O)O)C1	2243427671	YYKMKMUIRSCRSL-OCAPTIKFSA-N	227.069	-0.465	50	10	BBGE	
CC(C)C(=O)Nc1ncc(B(O)O)cc1F	2243585061	VOKKNRNPCVSLCV-UHFFFAOYSA-N	226.016	-0.505	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cc(B(O)O)co1	2244213634	HYANKQQORFARQJ-BQBZGAKWSA-N	221.021	-0.902	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786187	XGACAWCLWHEBOE-HOTMZDKISA-N	239.080	-0.610	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247786517	BVHLBQOMHNPLRL-HRDYMLBCSA-N	240.112	-0.504	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1[C@@H](CO)C2	2247797592	LFMUTUAWSZJEAN-KGDYZURWSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)C1CC(B(O)O)C1	2247797891	OEPOKVNUYNDAKR-AFWXGSBKSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247807437	IBTMRZNKGHFRSW-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2247846467	HADINBSPXVTVPW-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CC(C)(CCF)NC(=O)c1cc(B(O)O)c[nH]1	2247847614	ZPKSBWOFCLIUCM-UHFFFAOYSA-N	242.059	-0.438	50	10	BBGE	
C[C@@H](CNC(=O)c1ccc(B(O)O)o1)C1CC1	2247849394	ZLYKGTAYUSESMO-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
C=CCC1(NC(=O)c2ccc(B(O)O)o2)CC1	2247850120	KDVNQVFRDQKFQD-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
O=C(NC[C@]12COC[C@H](C1)C2)C1(B(O)O)CC1	2247872152	NQXXEONZAWCZQZ-WAAGHKOSSA-N	239.080	-0.464	50	10	BBGE	
C#CCN(CCF)C(=O)c1coc(B(O)O)c1	2247872346	QVVQPONPRYCPBZ-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247873749	FZWQSNOQRFVXII-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)OC1	2247887637	QHBIXKPNOPLCDV-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCC1	2247898146	ASCIPAQGOISWEW-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898825	IADHMHKUACCBLK-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247899003	JJPLDXGLOGZLGF-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2247899441	NJBGGXHVCFBDQL-UEWQFTGXSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)[C@H]1C[C@H]1B(O)O	2248586583	CXPOAKGUCVMKFW-ULAWRXDQSA-N	241.052	-0.687	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1cc(B(O)O)co1	2249415958	LBHVZOGDGRISEK-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1cocc1B(O)O	2249419649	JNLNQWKKTXALQZ-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCN1	2249945596	QCZYLTYRJVAAMG-WOOKNIGNSA-N	240.112	-0.504	50	10	BBGE	
CCCC1(Oc2ncncc2B(O)O)COC1	2250791222	RQHDAGRKVONDCG-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CNCC1(C)C	2251543225	RAKJJFYZFROAQW-IWSPIJDZSA-N	240.112	-0.694	50	10	BBGE	
Cc1cc(C(=O)NC[C@H](C)C#N)ccc1B(O)O	2255693406	ZYLNBJUSNWDUOE-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255717554	KPWUNSVQXIBUJR-NSHDSACASA-N	248.091	-0.368	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1cocc1B(O)O	2258129294	VILAQCZZRRTYJP-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ccccc2C[C@H]1CO	2264320823	YCHSHGSTUMZDDT-CABZTGNLSA-N	249.314	-0.216	50	10	BBGE	
O=C(O)[C@H]1C=CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2298463501	HHWVXRHTFMQMEM-XLPZGREQSA-N	239.036	-0.909	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2298536125	KMHQOWJRIIPGFC-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
CNCCCNc1ccc(C=O)c(B(O)O)c1	2301452318	GGFJSCYHYLJUDF-UHFFFAOYSA-N	236.080	-0.800	50	10	BBGE	
OB(O)c1cnc(N(CCF)CCF)c(F)c1	2301659585	JIMBYGDGTAFPIA-UHFFFAOYSA-N	248.013	-0.354	50	10	BBGE	
CN(C(=O)CN1CC[C@@](C)(B(O)O)C1)C1CC1	2303124208	PKAUZNSVTJWSHZ-LLVKDONJSA-N	240.112	-0.454	50	10	BBGE	
CCc1ccn(-c2cc(B(O)O)c(F)cn2)n1	2303834473	GWKXPBGNRKTGDW-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
C#C[C@@H]1CCCN1c1cc(B(O)O)c(F)cn1	2303835280	UJZSGEVXTXJLES-MRVPVSSYSA-N	234.039	-0.498	50	10	BBGE	
O=C(NN[C@H]1CCS(=O)(=O)C1)NC1CC1	45297048	WODOJPURXWSZAL-ZETCQYMHSA-N	233.293	-0.860	50	10	BBGE	
CCNC(=O)[C@H](C)NC(=O)NC(=O)CCl	49230925	KUBLIZQYMBCVJQ-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
C[C@H](CN(C)CCN1CCCC1)C(=O)NN	82469068	POEMEPODIZXXGF-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CC(N)=O)C(C)C	82469987	FXLVJMRXRQZGLG-VIFPVBQESA-N	230.312	-0.803	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C1CCNCC1	82470780	AOPNPNJTLYJZST-SNVBAGLBSA-N	228.340	-0.171	50	10	BBGE	
NNC(=O)CCCn1cccc([N+](=O)[O-])c1=O	104121739	NIDUGDHJXMWVPJ-UHFFFAOYSA-N	240.219	-0.473	50	10	BBGE	
NNC(=O)CN1CCCCC[C@H]1CO	124390112	GTAYMEDTJBYILS-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]([C@@H](C)O)C1	226494728	ITGXQOOXWZHKKL-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
NC(=O)CCNS(=O)(=O)CCCl	232296151	UXTWBAZUQBDSSD-UHFFFAOYSA-N	214.674	-0.980	50	10	BBGE	
CC1=C(C(N)=O)C[C@H]2C(=O)OC(=O)[C@H]2C1	238189847	PQMCKFYYTMYKFT-NKWVEPMBSA-N	209.201	-0.102	50	10	BBGE	
C[C@@H](OC(=O)CBr)C(N)=O	238404024	OHESWVJGGIDWBA-GSVOUGTGSA-N	210.027	-0.202	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]([C@H](C)O)C1	252766069	ITGXQOOXWZHKKL-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
O=C(NCCCl)NNC(=O)C1CC1	308372343	LLZSHLJPJUUIEG-UHFFFAOYSA-N	205.645	-0.034	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](O)CC1	378807172	XOKIOHRFJSYTGU-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC(=O)Cc1cc(C(=O)O)ccc1B(O)O	396129428	OXCVVLWQPRSJMA-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
O=Cc1ccc2cc(B(O)O)sc2c1CO	396335197	KAOYEHSZBXLPGA-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CNC(=O)CCSCCC(=O)NN	399209078	QBNTTXHNSMSDMP-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
Cc1oncc1C(=O)Nc1ccnc(B(O)O)c1	404923379	XQTGIWPRNINJGF-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)[C@H]1COCCO1	493363059	YMQIMALJJRJQLY-TUUFMJSCSA-N	244.247	-0.901	50	10	BBGE	
CSCCOCC(F)(F)C(=O)NN	685956791	JRKFZBSCCSGNSV-UHFFFAOYSA-N	214.237	-0.009	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC=CCC2)n1	694308584	LUMKMKOTNRAGLH-SECBINFHSA-N	206.054	-0.081	50	10	BBGE	
Cn1c(=O)ccn(C[C@@H](O)CCl)c1=O	697860230	RQCRZPINNDMYTI-LURJTMIESA-N	218.640	-0.853	50	10	BBGE	
CCC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	698424471	GIBFQGYUOGFLPT-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CN1CCN(C(=O)CCCl)[C@@H](CO)C1	699486787	NABFWOJIYHYHBW-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@]1(O)CCN(C)C1	702654325	URRGPMCZCACOMH-VXNVDRBHSA-N	220.700	-0.204	50	10	BBGE	
COC[C@H](CN)N1CCC(O)(C#N)CC1	704090482	RVUSFDQELNGQBH-VIFPVBQESA-N	213.281	-0.689	50	10	BBGE	
O=C(CCCl)N1C[C@@H](CO)[C@H](CO)C1	705329171	JQORFATYQOMKAO-YUMQZZPRSA-N	221.684	-0.326	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1C(C)(C)O	707172461	VJNRFLXBDOYAME-SECBINFHSA-N	243.307	-0.611	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=O)[C@@H]1CCCO1	720572471	RYUQSUVSPMVRGX-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1Cl)C1=NCN=C1	725690791	RAUPIOXKUAEJKN-BQBZGAKWSA-N	229.667	-0.018	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)c1n[nH]c(O)n1	727490711	WVFPIVLRNOSDLU-UHFFFAOYSA-N	241.251	-0.293	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1COCCO1	745998093	GYKULFKDMXDEMV-PRJMDXOYSA-N	243.263	-0.859	50	10	BBGE	
COC[C@H](C)C=NNC(=O)NCC(=O)OC	779823590	SMWUOUAZTOVNJN-SSDOTTSWSA-N	231.252	-0.273	50	10	BBGE	
CCNC(=O)NNC(=O)COc1ccsn1	1136416217	GWAAUMNNBDMSIF-UHFFFAOYSA-N	244.276	-0.128	50	10	BBGE	
COC(=O)C(=O)NN=C1CCC[S@](=O)CC1	1328535900	CKBFHVYJJSRJHU-INIZCTEOSA-N	246.288	-0.436	50	10	BBGE	
CCO/C=C(\C#N)C(=O)Nn1cnnc1	1466429012	OZYUCQZFSRXQPN-QPJJXVBHSA-N	207.193	-0.208	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)c1ncccn1	1585302142	NSQDPIMFKJXNCV-SSDOTTSWSA-N	238.247	-0.337	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc(C)[nH]n1	1624383405	SMUBWNARLDDPIY-SNVBAGLBSA-N	240.263	-0.360	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)c1cnn[nH]1	1627298146	BVZPEPDFOQJABI-RXMQYKEDSA-N	222.208	-0.885	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)c1ccc[nH]1	1628741353	MFIHTUVMRHJNGI-UHFFFAOYSA-N	247.258	-0.019	50	10	BBGE	
CO[C@H]1COC[C@@H]1NC(=O)CBr	1880684931	UMBTZCPYRNBEQR-WDSKDSINSA-N	238.081	-0.089	50	10	BBGE	
CN(CC(N)=O)C(=O)[C@H]1C[C@@H]1Br	1881363729	AIZLQCGVDSPNGS-WHFBIAKZSA-N	235.081	-0.287	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@H]1CC[C@@H]1N	1887479007	OPUZGBFBHJSFAU-VQVTYTSYSA-N	203.311	-0.022	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)C[C@H](O)C1(C)C	1890288150	WXKBBRQETFCTSA-IMTBSYHQSA-N	201.270	-0.933	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](N=C=O)[C@H]2C[C@@H]21	1892550378	UPRWFDZNOSDWPU-CSMHCCOUSA-N	216.262	-0.255	50	10	BBGE	
COC(C)(C)C(=O)NCC=CB(O)O	1892920901	VZNDPWUYJMKLBF-UHFFFAOYSA-N	201.031	-0.904	50	10	BBGE	
CCSCCC(=O)NCC#CB(O)O	1895076386	VPBJKOHTICZVPJ-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	1897341183	MKCWEIMXJZDILG-AXTSPUMRSA-N	227.308	-0.687	50	10	BBGE	
C=C1CCN(C(=O)c2cnsc2B(O)O)C1	1900475439	UTKJXZMEOBAIDB-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CN(NC(=O)[C@H](CN)C1CCC1)S(C)(=O)=O	1901339044	HESGMKNFYBFDER-MRVPVSSYSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@H](N)C1CC1)S(=O)(=O)C1CC1	1901342287	JMPCIYAILRLXGU-MRVPVSSYSA-N	247.320	-0.821	50	10	BBGE	
CC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	1909670840	JIAAVJKDUUBSJI-HGNGGELXSA-N	240.307	-0.940	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1927913843	NSWIRGRXRJBJKQ-VGMNWLOBSA-N	210.281	-0.154	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@@H]2C1=O)C(=O)NN	1935422448	IODKUEPIHQIVLI-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
COCC(C)(C)N(C)CCOCC(=O)NN	1936531651	CGSFZJLIDSUQHG-UHFFFAOYSA-N	233.312	-0.650	50	10	BBGE	
CO[C@@H]1CN(CCCCC(=O)NN)C[C@@H]1F	1937156055	WFJBWWQYPGFEHH-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1941085715	FJUXGMLLULRLKA-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1O	1941094884	PMEAVYSYHSTYCZ-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)C[C@H](C)O1	1941780814	UJFUQUNJJKWMKW-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1947203443	PPRZJDDWLNRGNU-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)N[C@H](Br)CS(C)(=O)=O	1951353214	MVXILRZQXCGJKF-YFKPBYRVSA-N	244.110	-0.112	50	10	BBGE	
O=C1CC(c2cc(O)nc(O)n2)CC(=O)O1	1952080891	HCXLBOXADPDPIX-UHFFFAOYSA-N	224.172	-0.165	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cnc2ccnn2c1	1953037973	ISEHYTFUTJCLJA-CBAPKCEASA-N	203.205	-0.386	50	10	BBGE	
O=S(=O)(CCCCl)N[C@@H]1C[C@@H]1CO	1954307530	DPKUVMCZMXRXQK-RNFRBKRXSA-N	227.713	-0.085	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550114	VDVWPJXSMPLXIJ-XGQMLPDNSA-N	221.684	-0.988	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCP(C)(=O)CC1	1956891788	ORVLOUOTWQZNIK-ZETCQYMHSA-N	219.225	-0.327	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961510019	XMQVHSPKRUNQAE-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1976032094	PXHSUWNTNQTPDH-POYBYMJQSA-N	220.037	-0.644	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCOC[C@H]1C(=O)NC	1976905575	XBVCLWBYXPGLRY-SFYZADRCSA-N	248.710	-0.023	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@@](=O)C[C@@H]1C	1981191246	IGTXPJIFJZOGSQ-AGRCIMAESA-N	247.364	-0.546	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CC[C@H]21	1981414391	RBISWCYEGUHGNM-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3C[C@H]32)c1B(O)O	1981448204	ZGIVZHNGOHDAJD-JGVFFNPUSA-N	219.053	-0.937	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC12CC2	1984100750	ANAMZQLNQYXDLN-MRVPVSSYSA-N	219.049	-0.672	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@H]2C(F)(F)F)n1	1986781918	DHFYEZUQYALLEG-RITPCOANSA-N	233.986	-0.239	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnsc1	1990774711	MNGYKZUUGMWGLH-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
OB(O)c1cnc(N2CC3CC(F)(C3)C2)nc1	2004917945	YJNKAFZPSYOKKG-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	2008030925	KTGPBPXIBIVFEO-CIUDSAMLSA-N	247.314	-0.347	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	2016208302	UEGSSFQPNNSVRL-YBEMZLNNSA-N	245.298	-0.309	50	10	BBGE	
C[C@@H](CO)N(C)C[C@H]1CCC[C@H](C(=O)NN)O1	2018243533	UJLJTAJTYVTSQJ-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CCCc1ocnc1C(=O)NCC=CB(O)O	2020060887	XTPIZODMNQLIGF-UHFFFAOYSA-N	238.052	-0.075	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)[C@H]1CCCCO1	2020063116	VZXCTZIVCAYFPB-NXEZZACHSA-N	241.096	-0.124	50	10	BBGE	
COC1CC(C(=O)N[C@H]2CCC=C2B(O)O)C1	2020068926	WHOWHVMMTNVYPB-KTOWXAHTSA-N	239.080	-0.372	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NCC#CB(O)O)C2	2021103884	IDZMJXSDLMWIAQ-PUSIOWJLSA-N	237.064	-0.924	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H]3C[C@@H]3C2)n1	2050241296	HFDYCFZOCYTQFF-RKDXNWHRSA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cnccc1-n1cnc2c1CCCC2	2052605949	ZBGWKBCVJYANAV-UHFFFAOYSA-N	243.075	-0.174	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CC3(CC3)C2)n1	2052623282	HDWAGRSWEGCUIX-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
CC[C@H](COC)OCc1nscc1B(O)O	2211140386	NMZUZZFOJCVCGF-SSDOTTSWSA-N	245.109	-0.236	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)C(C)(C)N	2212609922	ZKBJLDZQGMGBCI-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
C#C[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214593675	WKDRATXXBKNNCU-ZDUSSCGKSA-N	229.088	-0.036	50	10	BBGE	
CO[C@H](CNc1ncccc1B(O)O)C1CC1	2217173520	RURQICSVLNHPBZ-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNc1cc(B(O)O)ccn1	2217174054	WAXHRBIBQAVREO-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
CCCN(C)CCNc1ncccc1B(O)O	2217179339	JNLJHGRORVKZNA-UHFFFAOYSA-N	237.112	-0.485	50	10	BBGE	
OB(O)c1ccnc(NC2CCNCC2)c1F	2217180879	WQSLECGTWDEWNV-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
CC[C@@]1(Oc2ccc(B(O)O)cn2)CCNC1	2217194219	SINKDVKHLIHZLI-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1[C@@H]2CCC[C@@H]12	2217196128	CVNHJXTVCBDJAM-NXEZZACHSA-N	232.092	-0.004	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217203609	XYWQMKGWNOEENV-SCZZXKLOSA-N	235.096	-0.718	50	10	BBGE	
CC(C)(CN1C(=O)OC(C)(C)C1=O)C(=O)NN	2217472202	YQUGRRWPUSUYHY-UHFFFAOYSA-N	243.263	-0.240	50	10	BBGE	
CC[C@@H]1CNCCN1c1cc(B(O)O)c(C)cn1	2223649506	AHSVYZBYCSCXNT-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
Cc1cnc(N2CCCC[C@@H]2CN)cc1B(O)O	2223653184	PJXJUDSOCSPGNJ-SNVBAGLBSA-N	249.123	-0.613	50	10	BBGE	
N[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C12CCC2	2223670081	SHRIMQBOONSCGE-UWVGGRQHSA-N	247.107	-0.557	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCN1C	2223673570	GKGNVAGXQUIJNI-ONGXEEELSA-N	249.123	-0.344	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@H]1CF	2242173232	ABLLSCIGEBZLMN-RITPCOANSA-N	203.217	-0.769	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)s1	2243349951	SUJPGXLDBYBYES-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@H](F)C1	2243362165	NBSJXOGKYZCYDI-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
CS[C@@H](CO)[C@H](C)NC(=O)C1(B(O)O)CC1	2243365340	LEYASKONCKPVSO-BQBZGAKWSA-N	247.125	-0.778	50	10	BBGE	
Cc1c(Cl)cc(C(=O)N(C)O)cc1B(O)O	2243365647	PKUSTTMHEXKGLY-UHFFFAOYSA-N	243.455	-0.211	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CC[C@H]1N	2243392584	VDZFXBLXZAHILO-YNTFGVKOSA-N	226.085	-0.813	50	10	BBGE	
O=C(NCCCCCCO)[C@H]1C[C@H]1B(O)O	2243395700	AVFIIOHLCOOAEF-DTWKUNHWSA-N	229.085	-0.482	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243400485	BVILIFSFONXATF-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
CCc1nc(C(=O)NCCF)c(B(O)O)s1	2243413189	AZFPJOCWOFZAKH-UHFFFAOYSA-N	246.072	-0.915	50	10	BBGE	
C=C(CS(=O)(=O)NC1[C@H]2CCC[C@H]12)B(O)O	2243433838	QTFFGEBCVQOGBS-YUMQZZPRSA-N	245.109	-0.728	50	10	BBGE	
O=C(CCO)Nc1ccc(Cl)c(B(O)O)c1	2243701274	BCILOUWNDVAMNK-UHFFFAOYSA-N	243.455	-0.659	50	10	BBGE	
CC[C@@H](CCO)CNC(=O)C1(B(O)O)CCC1	2247732446	FTPRHNMZLYXBOD-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
CC1CC(CNC(=O)c2coc(B(O)O)c2)C1	2247734287	GWNBQOLMQHZISA-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1coc(B(O)O)c1	2247735896	PTRMANJDCPJUOJ-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247737874	LFXCGEZTEBBRFO-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC[C@@H]2C1	2247744072	NBXYADYVWDWEKR-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
O=C(C#CB(O)O)N1CCCO[C@H]2CCC[C@H]21	2247744393	SBRGOBVDAXNGRG-ZJUUUORDSA-N	237.064	-0.828	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H](O)[C@H]2C1)C1(B(O)O)CCC1	2247754337	FRJIXSCZKHYFIB-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@@H]1CO	2247758295	UTYISMXOEJMUJA-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786822	GZWFFGOFOSPZBS-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1O	2247787278	MVJHKOVBDNNGHQ-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCO1	2247787507	PZSNTNINYMTWLN-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
COCOCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787763	UGVFFGKQIMLXOH-DTORHVGOSA-N	245.084	-0.634	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1C(=O)C1CC(B(O)O)C1	2247790514	HWEDUJZQXVQLAP-AUXWQGHOSA-N	240.112	-0.422	50	10	BBGE	
CC1(C)COCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247796865	DMRFONDOGKTDMN-IUCAKERBSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)C2O	2247799663	GRLRSLGADJMCJG-WUQLENLQSA-N	239.080	-0.921	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247809557	QCALSOZGIFJLCJ-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
CCc1c[nH]c(C)cc1=NC(=O)C#CB(O)O	2247849419	ZUJWUFVEPKMJFO-UHFFFAOYSA-N	232.048	-0.672	50	10	BBGE	
CON(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCOCC1	2247859849	QFPOCGDECKESGC-BDAKNGLRSA-N	243.068	-0.582	50	10	BBGE	
CCOCCN(C)C(=O)c1coc(B(O)O)c1	2247870731	OWHDXUGGBKHHJV-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877162	CNMGJGQZZQCPBU-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)[C@@H]1C[C@H]1B(O)O	2247888240	XLJJBYQHUFJJNT-UEWQFTGXSA-N	239.080	-0.874	50	10	BBGE	
C=CCO[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2247892676	FTVDIASTUIOMSX-IDKOKCKLSA-N	241.096	-0.053	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCC1	2247893173	NNIKLKXPHUQMSB-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1CNCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904633	QUFSCXYIBZTHKY-LPEHRKFASA-N	240.112	-0.693	50	10	BBGE	
O=C(NCC1=CCNCC1)C1CC(B(O)O)C1	2247909378	JEBJUVOSWJXNOU-UHFFFAOYSA-N	238.096	-0.725	50	10	BBGE	
CC(C)(C)NC(=O)c1cc(B(O)O)ccc1O	2248028743	OBDYQANPXNNQKD-UHFFFAOYSA-N	237.064	-0.400	50	10	BBGE	
CC(=CCNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248573359	CRWYYCXHHHRAQO-ZKCHVHJHSA-N	241.052	-0.614	50	10	BBGE	
CC(C)(/C=C/C(=O)O)NC(=O)C1(B(O)O)CC1	2248577822	PCRACOCTQXSHIH-ONEGZZNKSA-N	241.052	-0.471	50	10	BBGE	
O=C(NC[C@H]1C[C@H](C(=O)O)C1)[C@H]1C[C@H]1B(O)O	2248589316	OREQDSXJDGYNKB-DKXJUACHSA-N	241.052	-0.924	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NC(C)C	2249384454	UZFMFOLNCJPWDS-UHFFFAOYSA-N	239.055	-0.048	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cocc1B(O)O	2249411755	STUJRFRNUAVEGE-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
COc1nn(C)cc1NC(=O)[C@H]1C[C@@H]1B(O)O	2250088678	DGHYZEIAZUQSKA-WDSKDSINSA-N	239.040	-0.770	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@H]2N1c1ncncc1B(O)O	2254287886	IJDUSBCWKAHNGB-WCABBAIRSA-N	247.107	-0.076	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1ccncc1B(O)O	2255445948	ZNORXGDQKFFDGL-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccncc1B(O)O	2255460529	VEZXHVGFQJSFNU-UHFFFAOYSA-N	246.075	-0.849	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC2(CC1)CC2	2255469966	WWIHCRPCWAVPAI-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C#CCCCNC(=O)c1nc(C)ccc1B(O)O	2255487378	OFRLFGWDSSEPSO-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cccc(F)c1B(O)O	2255500512	KPMPJJXHHIGREX-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(F)ccc1B(O)O	2255720426	NRCAXGCYKACVEO-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@H]2CCO2)c1	2255731033	YUDPWWVAEYEFNU-LLVKDONJSA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)ccc1O	2256013888	JLUNORNJXQMTQE-VROVMSAKSA-N	247.059	-0.790	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)ccc1O	2256015729	WYRSOHIVHSWILK-JMCQJSRRSA-N	249.075	-0.400	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)ccc1O)C1CC1	2256016628	LHQJTFFYWIXDFY-SSDOTTSWSA-N	249.075	-0.400	50	10	BBGE	
O=C(Nc1cccnc1F)c1cc(B(O)O)co1	2258130679	KOBBKGQCCOEZLN-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(Cc1ccnnc1)C[C@H]1CC[C@@H]1C(=O)NN	2261219334	FICAMGBCCWQSDN-MNOVXSKESA-N	249.318	-0.076	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccsc1=O	2297013342	AAXUQJBZGLFUAW-YFKPBYRVSA-N	201.251	-0.149	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2[C@@H](O)C[C@H]21	2298165689	SESYBWLCVNDDDK-HWUMTFDVSA-N	239.319	-0.542	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376526	ADOOKQVCVRSIQJ-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@H]1CCCCO1	2300231934	AKPDJYLKDMMUCM-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC=CCO1	2301817489	HHUGSPIIOIOVGC-ATZCPNFKSA-N	239.080	-0.299	50	10	BBGE	
N[C@H]1CC[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317313057	QSUDENFHSSAHAR-UWVGGRQHSA-N	249.075	-0.563	50	10	BBGE	
NNC(=O)[C@H](O)[C@@H](N)CC1CCCCC1	33975562	OQKPABIJWCLLHX-DTWKUNHWSA-N	215.297	-0.365	50	10	BBGE	
CN(C)CCCNC(=O)CCCC(=O)NN	58837852	XKEFZNFSHDZEAH-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
CCCOC[C@@H]1CC[C@H](C(=O)NN)O1	82464970	JNCXBJPEVQLARA-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CN1CCC[C@@H](N(C)CC(=O)NN)C1	82468597	FQMOXEPUFOBKHV-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
COCCN(C)[C@H](C)CCC(=O)NN	82470610	HDLUWIYPQYAEGE-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](Sc1nnc(N)s1)C(=O)NN	82472887	YHJBNYIPRJYSAF-REOHCLBHSA-N	219.295	-0.409	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(C)(O)CC1	88023283	UKICCCJQRVCIGT-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC(=O)N1CCNC[C@H]1C(=O)CBr	129079359	IYJRDYKTZVROFK-ZETCQYMHSA-N	249.108	-0.229	50	10	BBGE	
Cc1nn(CC(=O)NN(C)C)c(C)c1N	133895295	AVCPTNKIJJKYCG-UHFFFAOYSA-N	211.269	-0.325	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC[C@H](Cl)C1	168624906	SRHJCDJJHPRPKJ-YFKPBYRVSA-N	242.684	-0.100	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2C(=O)CC[C@@H]2C1	168767052	PTEYOVXYCGAMDA-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1cn(CC(=O)O)nn1	170312565	XKKOKZQFXBNANZ-SCSAIBSYSA-N	232.627	-0.072	50	10	BBGE	
CSCC(=O)NNC(=O)c1cc(C)n[nH]1	178363452	ZBEZOUWLFJPYQK-UHFFFAOYSA-N	228.277	-0.158	50	10	BBGE	
COC[C@@H](Cl)CCNCc1nnn(C)n1	230112015	QXAUODFSJMMHOK-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230356999	KMECKTVTWYJIBH-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCOC[C@H]1N=C=O	251045908	QGYSDGVERABKBW-SFYZADRCSA-N	245.260	-0.778	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN2CCC[C@H]2C1	251708121	YAJWNACZRXLTOB-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CN(CCCO)CCCCC(=O)NN	300838183	QFCGYBBXDNGMFD-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
O[C@H](CCl)CN1CCOC[C@@H](O)C1	306651856	CGWKDRVNEIQJJN-SFYZADRCSA-N	209.673	-0.721	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NCCBr	307738470	IBNDNMJIRKZHPI-RFZPGFLSSA-N	225.086	-0.794	50	10	BBGE	
OB(O)c1cc(F)nc(C2CCNCC2)c1	309218458	MNJHXYKZBYUCSI-UHFFFAOYSA-N	224.044	-0.633	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)c1ccc(=O)[nH]n1	323124693	MXBCKJRADNCATB-VDTYLAMSSA-N	243.650	-0.494	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCN1	381596984	MBINVVVYEFHITE-BWZBUEFSSA-N	211.265	-0.458	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N(CCO)C1CC1	395813832	MSGGHUCUKRZSAG-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1/C=C\C(=O)O	396134614	BUYSLQOKTRTVAE-HYXAFXHYSA-N	248.043	-0.404	50	10	BBGE	
NNC(=O)CCN1CC(OC(F)F)C1	399901725	FOWRQWQOUQASDK-UHFFFAOYSA-N	209.196	-0.710	50	10	BBGE	
C[C@H](SC[C@H]1CN(C)CCO1)C(=O)NN	400796434	WNHATYWZKGRDNF-JGVFFNPUSA-N	233.337	-0.571	50	10	BBGE	
Cn1nccc1C(=O)Nc1cccc(B(O)O)c1	404952985	UDVFVOVHSDUPRD-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)CCCC#N	526907805	RRVAJUJVMXVMEI-HNNXBMFYSA-N	231.277	-0.794	50	10	BBGE	
O=C1NCNN2[C@@H](Br)CC[C@H]12	575626323	DUBMIRUXRQAUHU-RFZPGFLSSA-N	220.070	-0.236	50	10	BBGE	
C[C@H]1[C@H](O)C[C@H]2CC[C@H]1N2CCC(=O)NN	686191058	KEPPDWYMUJSALN-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
NC(=S)NNC(=O)CCN1CCSC1=O	700883250	ZPPKLCNBMNUZAR-UHFFFAOYSA-N	248.333	-0.590	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC1(C)COC1	702969996	RGODGAHPXVCFAI-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)C2)CC1	703619795	VFOYSVCCNZCYSF-DTORHVGOSA-N	223.276	-0.399	50	10	BBGE	
CNNC(=O)[C@H](CC(C)C)NC(N)=O	704667714	JSUITNWWMQSERI-LURJTMIESA-N	202.258	-0.680	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1CO	708125487	ZOYZNBRWCLTPIL-IUCAKERBSA-N	229.324	-0.437	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCC1CC2	722805776	CFXYMHHSZDMRKS-QMMMGPOBSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCOC1	723860965	CAABAVXIQFDBML-IUCAKERBSA-N	241.291	-0.702	50	10	BBGE	
CCCN(C)Cc1nsc(C(=O)NN)n1	724349825	TXFOLQYRHADLPM-UHFFFAOYSA-N	229.309	-0.017	50	10	BBGE	
C[C@@H](CCl)[S@@+]([O])(=O)c1[nH]nn[n+]1C	725570472	ONHRZFQCGHQYQH-BYPYZUCNSA-O	225.681	-0.540	50	10	BBGE	
CCC1(C(=O)NNC(=O)[C@H]2COCCO2)CC1	749412956	GWOUYSNQFOYJEX-MRVPVSSYSA-N	242.275	-0.261	50	10	BBGE	
CC(CSCCF)=NNC(=O)C(N)=O	853260533	XQMVGSVBBMDEMP-UHFFFAOYSA-N	221.257	-0.334	50	10	BBGE	
CC(CCN(C)C)=NNC(=O)c1cn(C)nn1	853383316	DQXNHHBIHCRZEF-UHFFFAOYSA-N	238.295	-0.128	50	10	BBGE	
C[C@@H](NNC(=O)[C@H]1COC(=O)N1)C(F)(F)F	862321157	YZWVCSCBWNYKMW-QWWZWVQMSA-N	241.169	-0.334	50	10	BBGE	
COC[C@](C)(O)C(=O)NN=c1cc[nH]cc1C	862502406	LHGOVNUZCMMZMA-NSHDSACASA-N	239.275	-0.348	50	10	BBGE	
CN(C)CC(=O)NN=Cc1ccnc(O)c1	863089288	OEOPRBPXXBLUBG-UHFFFAOYSA-N	222.248	-0.201	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN=C2CCN(C)C2=O)O1	863169484	OSXZOTCGEBMAGN-VXNVDRBHSA-N	239.275	-0.112	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)O1	864455515	SISJCZQJUAJLSX-ZCFIWIBFSA-N	243.288	-0.627	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	887151859	MWORKJLEGMDWNW-JZYVYDRUSA-N	236.271	-0.170	50	10	BBGE	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1	908379847	IMQPAUYJELRLLD-IWSPIJDZSA-N	244.291	-0.280	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNC(=O)C(C)(C)O	1296518361	BRDWTQYIXSUTIY-UHFFFAOYSA-N	240.263	-0.496	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc2[nH]cnc2c1	1597672271	ROOLZNNPKLFZQT-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1n[nH]cc1F	1633133227	SIWHCLXKAVUIEJ-UHFFFAOYSA-N	230.199	-0.919	50	10	BBGE	
Cn1ccnc(NNC(=O)c2ccncn2)c1=O	1648622451	ZKZVXHOLXAVKAH-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C(=O)O)[C@@H](C)O	1865770311	QWITUMIMJALCSI-VPENINKCSA-N	209.629	-0.436	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@@](C)(O)C1	1877857098	FUYQNNOTJAIVRF-BHNWBGBOSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H](CO)[C@@H](C)O	1881838278	PLSMRJNJAPQVJV-QYNIQEEDSA-N	209.673	-0.138	50	10	BBGE	
N[C@H]1CCO[C@H]1C(=O)NC1CC(Cl)C1	1884411396	BTRVAGQGNIKNAQ-RLXKETGRSA-N	218.684	-0.011	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@H]1CO	1886223649	NEUHYTSVKJVIGR-HSNKUXOKSA-N	219.668	-0.432	50	10	BBGE	
O=C(F)N1CCN(C[C@@H](O)CO)CC1	1887185978	GYRIRXOEDJFUHN-SSDOTTSWSA-N	206.217	-0.953	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)C1(CO)CNC1	1893129301	UJGSLWXFLZWXMN-RQJHMYQMSA-N	218.684	-0.688	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@H]1COC[C@H]1O	1893461768	SGWUQSVEPKMCDH-VGRMVHKJSA-N	219.668	-0.168	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@]3(CO)C2)CC1	1894667125	UBIPQEVWBBNJEU-GZMMTYOYSA-N	225.292	-0.929	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1895663185	PUDMNQBINZOXRY-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@@H]21	1895927479	APVCECCNGXAXKA-RGOKHQFPSA-N	227.308	-0.421	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1901870545	QLGUIPUAKKFCEA-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1902403078	IMIZZKWAMRESFF-MRVPVSSYSA-N	218.021	-0.724	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	1902404860	OPHYYYZRXSZWSJ-ZETCQYMHSA-N	218.021	-0.724	50	10	BBGE	
CC[C@@](C)(CN(C)CC1(O)CC1)C(=O)NN	1902708220	VOXDQKANTVVVDJ-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
C=CC12CC(CCN1C(=O)C#CB(O)O)C2	1904672126	GNROACFWZBZEDE-UHFFFAOYSA-N	219.049	-0.431	50	10	BBGE	
COC[C@H](OC1CC2(CSC2)C1)C(=O)NN	1905323227	NXBVVYWWGUTDPC-QMMMGPOBSA-N	246.332	-0.097	50	10	BBGE	
C[C@H](CN1CC=CC[C@H]1CO)C(=O)NN	1909020135	ZCOIYYYRBPMALZ-BDAKNGLRSA-N	213.281	-0.765	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C[C@]1(C)OC	1911047962	BHDSQSZUUDYGEA-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
Cc1cocc1C(=O)Nc1ncccc1B(O)O	1913605111	CUTJYKGNDGVRCB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1S(=O)(=O)CCl	1914436874	IVFDYBVGJHULDY-WDSKDSINSA-N	213.686	-0.032	50	10	BBGE	
C[C@H](NNC(=O)C(F)(F)F)c1nnnn1C	1923438686	DXCHWNQUAWLELZ-VKHMYHEASA-N	238.173	-0.546	50	10	BBGE	
O=C=NS(=O)(=O)N1C[C@H]2CC[C@@H]2C1	1929938603	HJPQLABNQSSACN-RNFRBKRXSA-N	202.235	-0.091	50	10	BBGE	
COCCN(C(=O)NN)[C@@H]1CCOC1	1931867868	HAOKYQTWIYPQMR-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C[C@H]1F	1932061312	SGNCILOCNBSBDQ-NTSWFWBYSA-N	203.217	-0.817	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NNC(N)=S)C[C@H]12	1935502734	WQGIPWVOUBQBFZ-OKMMGKLZSA-N	215.278	-0.724	50	10	BBGE	
CN1CC(CN(C)C[C@H]2C[C@H]2C(=O)NN)C1	1936084400	NBBKZTKCKPBYAH-NXEZZACHSA-N	226.324	-0.894	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@@H]1C[C@H]1C(=O)NN)C2	1936086388	UYLKWWDYEBUTHC-CKEKPRIKSA-N	225.292	-0.524	50	10	BBGE	
COCC(C)(C)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936087876	HQXJGPHAGSTLRA-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
C[C@]1(CN2CC(=O)OC(=O)C2)COCCO1	1936463218	LOTKHVBYGWZPHB-JTQLQIEISA-N	229.232	-0.823	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1936765950	MJANIKWQNKTPPV-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2OCC[C@H]2C1	1938636688	PFQCXBDWXYIEBT-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H](CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	1939290750	HFBZZDJNHGVRSP-VGMNWLOBSA-N	227.260	-0.079	50	10	BBGE	
CC[C@]1(O)CCCN(CCOCC(=O)NN)C1	1941773177	TXUGDADECLSVKO-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
COCCOCOc1cnc(C)c(B(O)O)c1	1944012142	YQMLFZYIZCPJTL-UHFFFAOYSA-N	241.052	-0.931	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H](O)[C@H]2C1	1946109618	IVJKDXNFPKVBEY-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
COc1c([C@@H](N)[C@@H](O)C#N)c(C)nn1C	1952879722	ZDWPCFXJFGQZAY-XPUUQOCRSA-N	210.237	-0.379	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@@H](O)CCl	1956256721	SODASMUGIQBIQW-QMMMGPOBSA-N	222.716	-0.004	50	10	BBGE	
Cc1cc(OCC(F)F)ncc1B(O)O	1961688816	YPRRQDYCJRMHIR-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
COCCSCC(=O)N1CC[C@H](B(O)O)C1	1964510037	IALABRRFOFGNNW-QMMMGPOBSA-N	247.125	-0.559	50	10	BBGE	
CC1(O)CN(CCC(F)(F)C(=O)NN)C1	1975102949	DKUOPGSTLCYJBX-UHFFFAOYSA-N	223.223	-0.932	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(OC)CC1	1979962556	WAZDYINBDQCGOP-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
CCC[C@@H](C)N(C)c1ncncc1B(O)O	1981413037	AMKBEBLPVLOPNY-MRVPVSSYSA-N	223.085	-0.219	50	10	BBGE	
CN(C(=O)NN)[C@H]1CO[C@@]2(CCCOC2)C1	1984303636	ZCXZCJSDLHLGPS-SCZZXKLOSA-N	229.280	-0.160	50	10	BBGE	
NC(=S)NNC(=O)c1ccc2cncn2c1	1987608952	DIKHZCQQHRJRSE-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
NN=c1cncc(C(=O)NC[C@H]2C[C@H]2Cl)[nH]1	1991432887	NJDYPOIJIKUZLY-PHDIDXHHSA-N	241.682	-0.459	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1CCCO	1995117489	JVPUBQIVVFYGGS-MRVPVSSYSA-N	229.280	-0.870	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2ccc(B(O)O)cn2)[C@@H]1C	1998445017	DYKDMLUWJOPPJU-LYIWLLOFSA-N	234.064	-0.398	50	10	BBGE	
OB(O)c1cncnc1N1CC(CC2CC2)C1	2004911945	MYYRXUHCSOVHFH-UHFFFAOYSA-N	233.080	-0.607	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(CCO3)C2)n1	2004973566	XALNUQFGARBACD-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
C[C@@H](CN1C[C@H](O)C2(CCCC2)C1)C(=O)NN	2006026192	XNMWMRULLXCEND-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](COC[C@@H]1CC[C@@H](C(=O)NN)O1)N(C)C	2007003517	LYVVALQZCPJODW-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
Cc1cc(C(N)=O)ccc1O[C@H](C)C(=O)NN	2007701266	SRBBASVXWPDWNW-SSDOTTSWSA-N	237.259	-0.149	50	10	BBGE	
C[C@H](CN1CC(C)(CCN(C)C)C1)C(=O)NN	2009679140	TZVAMHSPYSESGI-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)N[C@@H](CB(O)O)C(=O)O	2019823745	HIIVJJUGNOYSMH-RQJHMYQMSA-N	246.072	-0.744	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C(C)(C)C)C2)n1	2052620673	WSSLVKCMKRSJHG-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3CC[C@H]3C2)n1	2052623451	JOGXPGBVOGWJBL-UWVGGRQHSA-N	247.107	-0.381	50	10	BBGE	
CCc1c(B(O)O)ccc(C=O)c1C#N	2060241219	YEONDPQPLRHZKV-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1ccc(=O)n(Cc2cc(B(O)O)cs2)c1	2214518795	VUOCGYABQAHEFE-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2COC[C@@H]21	2215771171	GOUHGHLXLDXZFL-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215777932	WARSIBIWWCEJMT-CWKFCGSDSA-N	237.259	-0.993	50	10	BBGE	
CN1CCCN(CC2(C(=O)NN)CCC2)C1=O	2216494297	WTTLHDUAINWAPD-UHFFFAOYSA-N	240.307	-0.096	50	10	BBGE	
C#C[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2217173956	VNZAAOOJBOVAAH-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1c1ncccc1B(O)O	2217178682	AHIDZZVQJDXXPO-BDAKNGLRSA-N	235.096	-0.923	50	10	BBGE	
CO[C@H]1C=C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217184548	PYXBXBORDMLUNE-ZJUUUORDSA-N	234.064	-0.483	50	10	BBGE	
N[C@H](CCOc1ccc(B(O)O)cn1)C1CC1	2217190387	CUYMBJQUKFSRKT-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CC(C)[C@@](C)(N)COc1cc(B(O)O)ccn1	2217190434	DPVCOQULQMZFGB-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
C[C@H](N)C1(COc2ncccc2B(O)O)CC1	2217194241	SRPJLLHHVLQFDS-QMMMGPOBSA-N	236.080	-0.732	50	10	BBGE	
CC1(CNc2ncccc2B(O)O)CC(N)C1	2217200989	NJUPTQKCAMMHJM-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC[C@@H]2C[C@@H]2C)n1	2220938442	ZQVGPJVXDXTXDV-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ccno1	2222245563	ZXVVSCQWOHJYTR-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)c1	2223632195	GSAVJFSVQHCPGU-VEWYJCLLSA-N	242.087	-0.316	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](O)CC12CCC2	2223649175	VASLXNNJLRWFBL-SECBINFHSA-N	248.091	-0.745	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1nncn1C	2223669532	LEYRSNRJUIVCNR-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
CC[C@@]1(Nc2cc(B(O)O)ccn2)CCCNC1	2223670826	DCAMDDBKRHEHBY-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
C[C@@H](CN1CCCC1)Nc1ccc(B(O)O)cn1	2223675795	YXCZCTAQDBTPJN-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H](F)C1	2241480809	MHFMBVQWUXFJGT-ACZMJKKPSA-N	201.006	-0.580	50	10	BBGE	
COC(=O)[C@@H](CN)N[C@H]1C[C@H](Cl)C1	2241655041	HHSAODLGWPTPCG-FSDSQADBSA-N	206.673	-0.154	50	10	BBGE	
C#CC1(N(C)C)CN(C[C@@H](O)CCl)C1	2242278551	QNTDVDOKKWVTAB-VIFPVBQESA-N	216.712	-0.165	50	10	BBGE	
CO[C@H](CO)CNS(=O)(=O)CCl	2242437406	CDTQVMIHDDYKGL-YFKPBYRVSA-N	217.674	-0.891	50	10	BBGE	
C[C@@H](O)CCN(C)C(=O)C1(B(O)O)CCC1	2243347774	PPGPRJGHMMSARA-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
C[C@H]1CNC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243363637	JXULJQDQPOFIGW-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
CCCNC(=O)c1cc(C)ccc1B(O)O	2243367340	RJUOTZKEGXAUTO-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
C=C(F)CNC(=O)c1cc(C)c(B(O)O)o1	2243377796	HDGJRGNVUKVXRL-UHFFFAOYSA-N	227.000	-0.519	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1cc(B(O)O)cs1	2243385797	ONMBRRDNLKSPSL-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ccon1	2243398289	OBLAMEAZZBKEHW-ZCFIWIBFSA-N	224.025	-0.141	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2csnc2B(O)O)[C@@H]1C	2243414449	AWZWLRRFPMYHKF-CNYLLVADSA-N	240.093	-0.793	50	10	BBGE	
CC[C@@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414733	HGSLDLWUYSOPDV-XKSSXDPKSA-N	229.085	-0.483	50	10	BBGE	
CCNC(=O)c1cc(F)c(B(O)O)cc1F	2243434195	VTAZSWWAUPFWBC-UHFFFAOYSA-N	228.991	-0.606	50	10	BBGE	
COC[C@@]1(C)C[C@H]1C(=O)NCC=CB(O)O	2243829444	HEHLIGAXILRTCH-WCBMZHEXSA-N	227.069	-0.657	50	10	BBGE	
O=C(C[C@H]1CC12CC2)NCCC#CB(O)O	2244547049	VARACOSHKSPFJL-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2247743669	HJENZNVMSBKLLL-RDDDGLTNSA-N	234.064	-0.824	50	10	BBGE	
CCCCCNC(=O)c1c(B(O)O)cnn1C	2247748374	BZHHFOPRMQLRPI-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
C=CCONC(=O)c1cccc(B(O)O)c1F	2247752001	GUEFGUNYWZIKNF-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
N[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247755898	LNKQDJSVIXJABZ-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)cn1C	2247759884	YCMVGCGCRZAJOQ-SSDOTTSWSA-N	242.059	-0.817	50	10	BBGE	
COC(=O)CCN(C)C(=O)C1CC(B(O)O)C1	2247798007	PKIGXPMWKKIJGW-UHFFFAOYSA-N	243.068	-0.739	50	10	BBGE	
C[C@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H]1B(O)O	2247809017	XCZZQDCXPZJGPS-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
CC(C)C[C@H](CNC(=O)C#CB(O)O)N(C)C	2247847110	RMCVSFRXSQRAKP-SNVBAGLBSA-N	240.112	-0.906	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]2OCC[C@@H]12	2247850018	IUVAXWNSZSFBAG-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccoc1B(O)O	2247866053	FWBHJUMZIOAMRQ-BDAKNGLRSA-N	235.048	-0.512	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(C)ccc1B(O)O	2247875587	YRUJRUKADDMMJK-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCNC1	2247877218	DMCIJDYEGKIZBG-SNVBAGLBSA-N	240.112	-0.501	50	10	BBGE	
NC[C@]1(F)C[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247877293	FSZOCEQTOMSWFB-XWEPSHTISA-N	244.075	-0.813	50	10	BBGE	
C=CCC1(O)CN(C(=O)C2CC(B(O)O)C2)C1	2247890624	AEJWPCGDBSITAM-UHFFFAOYSA-N	239.080	-0.611	50	10	BBGE	
COc1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2247898167	AWNYYDGXYGJQEO-NKWVEPMBSA-N	236.036	-0.108	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCNCCC12CC2	2247898541	FKKLIJLJUOMCDN-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@@H]21)C1CC(B(O)O)C1	2247906361	YCDCAKSPPKWBHK-SIVIVCJJSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](CC1CNC1)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247911267	UVZGVQZUXYPWBT-UJNFCWOMSA-N	240.112	-0.646	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H](C)CO)c(B(O)O)c1	2248439863	CRTYDMOYFJMSMZ-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
COC[C@]1(C)C[C@H]1Nc1ncccc1B(O)O	2248681527	ZXTZJGDRRQVHGE-KOLCDFICSA-N	236.080	-0.402	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@H](C)CF	2249302203	CVBSAGZYDPKKSR-ZCFIWIBFSA-N	243.043	-0.302	50	10	BBGE	
CN1CCO[C@H](CN2CCC(B(O)O)CC2)C1	2249358043	UBIOIHDOAGZGDC-NSHDSACASA-N	242.128	-0.744	50	10	BBGE	
O=C(Cc1ccccc1)NCCC#CB(O)O	2250009565	ZYTJQYZUEIVKPK-UHFFFAOYSA-N	231.060	-0.249	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2250597983	BLLYFWYSAHJKSV-SFGNSQDASA-N	241.096	-0.389	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cccnc1O	2250767321	NWTRHFITXQCGFJ-UHFFFAOYSA-N	238.291	-0.011	50	10	BBGE	
CC1(C)CN(C(=O)Nc2cccc(B(O)O)n2)C1	2254043615	VYKQJHZDMPGRKY-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(F)c(B(O)O)c1	2255499778	DSSNYMXKQNMGPK-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2ccccc2CN1	2255582700	IHGIFVUJCUQBKY-MNOVXSKESA-N	246.075	-0.104	50	10	BBGE	
CN(C)c1ccc(CNC(=O)C#CB(O)O)cc1	2255672308	DWQZHWHGNUKDDL-UHFFFAOYSA-N	246.075	-0.616	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1cc(C)ccc1B(O)O	2255737108	ZOXSXDRCCADEIX-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
CC#CCCNC(=O)Nc1ccccc1B(O)O	2255921409	VSZGPTQEYXBQAW-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cc1O	2255929994	XORSVAUCRXLINB-KRTXAFLBSA-N	249.075	-0.400	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2297943255	CNIOUBVVCWMWHO-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2CC1(C(=O)NN)CC1	2298005262	RGFPYWIDZPJODZ-FXPVBKGRSA-N	239.319	-0.398	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2298168245	UUYDZHIXMOIPBG-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369326	QQFYTITZUJAWIC-BECAKDQMSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2298371781	VOJFPOIPSMRQGL-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](C2(O)CC2)C1	2298375413	IVCMYVBIDFZHIU-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
O=C1[C@@H]2[C@H](CN1C(=O)[C@@H]1C[C@H]1B(O)O)C2(F)F	2298376265	PEEDJWNELPTAEQ-MOJAZDJTSA-N	244.990	-0.901	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376671	ICYLYONVJTVCSR-JXUBOQSCSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377171	GZENEMNNNUQUPY-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC1CC([C@@H](F)CO)C1)[C@@H]1C[C@H]1B(O)O	2298377382	OLCVNHJFHYWBJQ-PGDQVTRHSA-N	245.059	-0.926	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2C[C@@H]2CN)CC1	2299278442	JMYAHTPXOSDSGA-NXEZZACHSA-N	237.303	-0.152	50	10	BBGE	
O=C1N[C@@]2(CN3CC[C@H](B(O)O)C3)CC[C@H]1C2	2303097582	PQWWBOLAXDNGRS-QXEWZRGKSA-N	238.096	-0.796	50	10	BBGE	
C[C@@]1(CN2CC[C@](C)(B(O)O)C2)CCNC1=O	2303135847	LBTOOQMCOJOVPR-QWRGUYRKSA-N	240.112	-0.549	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3CCC[C@@H]32)ncc1F	2303837334	YRQNPSDCFOHGBD-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
CC(C)OCCOc1cc(B(O)O)c(F)cn1	2303848469	ACPFWCPVFPPGRE-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1occc1B(O)O	2307173288	YVHPHWAJLBAOOY-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1CC[C@@H]2C[C@H]12	2308624220	OJZFLGVNYHMVLQ-JEZHCXPESA-N	246.075	-0.254	50	10	BBGE	
C#CCCCOC(=O)Nc1ncc(B(O)O)cn1	2316376187	RXVWKPQIYNMRCQ-UHFFFAOYSA-N	249.035	-0.882	50	10	BBGE	
NCc1cc(-c2ccco2)n(CC(=O)NN)n1	76834644	YFRDBDVBWBFDFJ-UHFFFAOYSA-N	235.247	-0.408	50	10	BBGE	
CN1C(=O)[C@@H]2C=C(C#N)C(=O)N[C@H]2N(C)C1=O	82300244	NTCMTPTURNFALL-RQJHMYQMSA-N	234.215	-0.968	50	10	BBGE	
CCN1CC(=O)N(CCCl)CC1=O	86933656	YJUWVHDIOLMLSM-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
CNC(=O)[C@H]1CCCN1CCCCC(=O)NN	104104972	CPNYPZWPOUKSEK-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC(C)(CCl)C(=O)NOCC(N)=O	160321048	KUFZPHMHZFRCOX-UHFFFAOYSA-N	208.645	-0.216	50	10	BBGE	
CCOCCNC(=O)NNC(=O)C(F)(F)F	170798237	CXDCYEURGVHLRN-UHFFFAOYSA-N	243.185	-0.084	50	10	BBGE	
C[C@H]1COc2ccc(B(O)O)cc2OC1	203536045	ZMRLKVUTEBNCQV-ZETCQYMHSA-N	208.022	-0.226	50	10	BBGE	
OB(O)c1ccc(OCc2ncccn2)cc1F	203556115	NKVHMFKOQOCFSE-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
N#C/C(=N/OC(=O)NCCCl)C(N)=O	205441777	MODAGDJRHQXVIN-WCIBSUBMSA-N	218.600	-0.684	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(CC)CC1	211855534	KDNJXNSWPFABSZ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
COc1ccc(C=O)c(B(O)O)c1OC	220661848	ASJXMRXMGYLGDJ-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
CN(C)CCNC(=O)CCNC(=O)CCl	258861915	CIIXUQNKPMKCJA-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	302652238	WBRINYBXJPIMQW-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
NC(=S)N1CCN(C(=O)CCl)CC1	306636969	BGXRTMZTCRFZDS-UHFFFAOYSA-N	221.713	-0.387	50	10	BBGE	
OB(O)c1cc2c(O)ccc(O)c2s1	306870226	STMDBQLFKDUCKI-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Nc1cc(B(O)O)c2scc(O)c2c1	307102366	AAJXFROPTMATKA-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[S@](=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	307292511	BPGRWOMVSWLPBS-WPOIXZHQSA-N	245.753	-0.336	50	10	BBGE	
Cc1cc(CNC(=O)C(=O)NN)cs1	307379601	ZALHUCZGMCRKQG-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
CCN1CCN(C[C@@H](Cl)C#N)S1(=O)=O	307539638	UUMMUWOFRGYOCX-ZETCQYMHSA-N	237.712	0.000	50	10	BBGE	
CC1(C)CCN(C(=O)NN)CC[S@]1=O	307636248	WPJMCKJJQBDUQF-CQSZACIVSA-N	219.310	-0.197	50	10	BBGE	
C[N+](C)(C)[C@@H](CSCCB(O)O)C(=O)O	308878087	OHSCLNNDHWLWAN-ZETCQYMHSA-O	236.122	-0.648	50	10	BBGE	
N[C@]1(C(=O)O)CC[C@@H](CCB(O)O)C1	379511784	SMLPIZSADMHXPG-POYBYMJQSA-N	201.031	-0.569	50	10	BBGE	
COC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	379583966	NSGUKGVLRNBFAA-RQJHMYQMSA-N	201.270	-0.669	50	10	BBGE	
CN(N=Cc1c(Cl)[nH]c(=N)n1C)C(N)=O	382141118	MREJMFPTICQZCN-UHFFFAOYSA-N	230.659	-0.170	50	10	BBGE	
CC(=NNC(N)=O)[C@H]1SC(=N)NC1=O	383965592	KIWYMKUBSDXXLW-GSVOUGTGSA-N	215.238	-0.803	50	10	BBGE	
CC(C)(CCN(CCO)CCCO)C(=O)NN	385769877	WABCIGFTMGUOOM-UHFFFAOYSA-N	247.339	-0.931	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CCOC[C@@H]1C	390404166	AZSSGXQYOBCZBX-CBAPKCEASA-N	229.280	-0.832	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](O)[C@@H]1C	395100861	MDKBYTAFZLUOMI-YIZRAAEISA-N	215.297	-0.400	50	10	BBGE	
Nc1cc2sc(B(O)O)cc2cc1C=O	396273220	KSXYRDSXYAWTGX-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H](C(=O)Nc1ccnc(B(O)O)c1)C1CC1	404958280	ICYPFXXEFUXSFH-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
CCC(=O)Nc1ccc(F)c(B(O)O)c1	405000687	MHTQCAVEXKVBQQ-UHFFFAOYSA-N	211.001	-0.146	50	10	BBGE	
CCOC(=O)[C@H]1NN[C@H](Br)N1	585662180	LEKXBTQYJXMYJO-NQXXGFSBSA-N	224.058	-0.749	50	10	BBGE	
Cc1nnnn1-c1cccc(OCC(=O)NN)c1	586318438	GSIHJGSJYTZZIP-UHFFFAOYSA-N	248.246	-0.661	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H](O)C1CC1	690155971	OWJMYZGLZPYLAM-VIFPVBQESA-N	215.297	-0.541	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](C#N)C1	693988248	WYXREUSFDKSPEA-BDAKNGLRSA-N	210.281	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1COC	696550877	ZNAHZWXIDOOCLI-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)[C@H](COC)C(=O)NN	698362363	NGEQXOQMAQWADO-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
O=Cc1cccc(OC2CC2)c1B(O)O	699915636	YNMPKEBZFNJPJR-UHFFFAOYSA-N	206.006	-0.280	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(C)C[C@@H]1C	704081105	JJNBJWUQOVZMEB-IQJOONFLSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cccc(F)c1OC[C@@H]1CCOC1	706868248	VXNLHSGNRSNAFO-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
CSCC[C@H](NC(N)=O)C(=O)N(C)N	707522068	FQLMVOWDSRFUQS-YFKPBYRVSA-N	220.298	-0.892	50	10	BBGE	
CN(C(=O)[C@@H]1COCCO1)[C@H]1COC[C@@H]1Cl	709088761	PKXFOIXQTTWIGZ-CIUDSAMLSA-N	249.694	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](N)CC2CC2)CC1	709387199	VSPAFAFEESZLKM-SNVBAGLBSA-N	237.303	-0.009	50	10	BBGE	
NNC(=O)NCC[C@@H]1CCCS1(=O)=O	714334099	DXXHXKUBPKLFAB-LURJTMIESA-N	221.282	-0.873	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)CCBr	717354857	GYIGGVHWYDBSAY-NTSWFWBYSA-N	240.097	-0.371	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718259255	KIIPRYBLTSLENK-GWOFURMSSA-N	239.319	-0.134	50	10	BBGE	
CN(C)Cc1csc(CNC(=O)NN)n1	722390606	PGHLUWCDAKZMMZ-UHFFFAOYSA-N	229.309	-0.122	50	10	BBGE	
Cc1nc(NN)cc(C(=O)NN(C)C)n1	723235308	ABJQMVKDWVWHAK-UHFFFAOYSA-N	210.241	-0.723	50	10	BBGE	
COCCN(C)Cc1nsc(C(=O)NN)n1	724319983	LVWHZHDDQFUTIN-UHFFFAOYSA-N	245.308	-0.780	50	10	BBGE	
CO[C@H]1CCOC[C@@H]1NS(=O)(=O)CCl	724847641	BXJYLLHWWAMDLE-BQBZGAKWSA-N	243.712	-0.094	50	10	BBGE	
C[C@@H](CCl)N[S@@+]([O])(=O)c1c[nH]n[n+]1C	725702879	OGNNCWQCKIPUNU-OVZGEXIGSA-O	239.708	-0.430	50	10	BBGE	
O=C(NN=C1CCCOC1)[C@@H]1COCCO1	745214421	YTRSUWYXXDHRAT-VIFPVBQESA-N	228.248	-0.316	50	10	BBGE	
CCOC1(C(=O)NN(C)C(N)=O)CCC1	831519837	RKTPKCMBTIIMSV-UHFFFAOYSA-N	215.253	-0.013	50	10	BBGE	
NCC(F)(F)CC(=O)NNc1ncccn1	846669592	POVFNZPYXRJXQV-UHFFFAOYSA-N	231.206	-0.096	50	10	BBGE	
C/C(=C\C(=O)NNC(=O)c1cn(C)nn1)C1CC1	855185418	YFAXZTCUOSFDJO-FNORWQNLSA-N	249.274	-0.068	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H]1OCCO[C@@H]1C	930995294	AFQGSMXIVWXREY-HTQZYQBOSA-N	245.279	-0.471	50	10	BBGE	
CC(=NNC(=O)CS(C)(=O)=O)c1cn[nH]c1	1118953130	NVAFTANKNLOJBX-UHFFFAOYSA-N	244.276	-0.706	50	10	BBGE	
COC(=O)NNC(=O)c1nc(C)ns1	1254882371	LZWUAEDRMBGLFH-UHFFFAOYSA-N	216.222	-0.153	50	10	BBGE	
CNC(=O)C(=O)NNc1cc(C)ccn1	1321840079	GEYCKTOACDGOBM-UHFFFAOYSA-N	208.221	-0.421	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1	1332891988	BRLLGSRZNHLRTQ-SVRRBLITSA-N	238.247	-0.404	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)c1ncon1	1558630730	PDYHYEAWCBSYCT-RXMQYKEDSA-N	223.192	-0.620	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)c1ncon1)C(C)C	1627100385	YWEUVUJZKYNXTQ-ZCFIWIBFSA-N	242.235	-0.498	50	10	BBGE	
O=C(Nc1cc[nH]n1)c1ccc(B(O)O)cc1	1631767081	PPDAETCCINDBIP-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CO)C1	1638526350	KVXIPOJHZLKFRG-JGVFFNPUSA-N	230.264	-0.669	50	10	BBGE	
N#CCc1ccsc1C(=O)NNC(=O)CO	1641424024	MIFLZJDQIDMAEQ-UHFFFAOYSA-N	239.256	-0.433	50	10	BBGE	
N[C@H](CNC[C@@H]1C[C@@H]1Br)C(=O)O	1877422927	LCALLYKQZLKXSM-HCWXCVPCSA-N	237.097	-0.229	50	10	BBGE	
O=C(CBr)NC1(CO)CC(O)C1	1881256131	WSXONERGPFOBKV-UHFFFAOYSA-N	238.081	-0.617	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@]1(O)CCNC1	1882572433	NXFOGDFJZSWWCA-ZETCQYMHSA-N	227.091	-0.369	50	10	BBGE	
C[C@]1(CCl)CN(C2(CO)COC2)C1=O	1887905156	DEGDJMDWROOYBQ-QMMMGPOBSA-N	219.668	-0.165	50	10	BBGE	
C[C@@H](CN(C)CC1(O)CC1)C(=O)NN	1889129041	HRZZDDKZRBJMOE-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
Cn1nnnc1CNCCC#CCCl	1892463055	BMKMLIIXOXZNPP-UHFFFAOYSA-N	213.672	-0.068	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1Cc2conc2C1	1894357038	JBUWSGYAYGYSJF-POYBYMJQSA-N	222.248	-0.384	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@]12CNC[C@H]1COC2	1897145108	BINUNCSLTSISGN-KBIXCLLPSA-N	244.722	-0.034	50	10	BBGE	
C#CCOCC(=O)N1CC[C@](C)(B(O)O)C1	1902512374	MQLFJQLLKFMNIS-JTQLQIEISA-N	225.053	-0.898	50	10	BBGE	
C[C@H]1C[C@@H](OCc2nc(B(O)O)cs2)CO1	1902658631	QPSYIXOTSYKYEL-NKWVEPMBSA-N	243.093	-0.483	50	10	BBGE	
CNC(=O)Nc1cc(F)c(F)cc1B(O)O	1904682414	BJQWNISQWPMOKM-UHFFFAOYSA-N	229.979	-0.604	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	1905021919	WGJNIFPSAYXNCK-BIIVOSGPSA-N	226.085	-0.813	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCCC2=O)O1	1909807577	FQQHHMXKOVANNH-BDAKNGLRSA-N	241.291	-0.464	50	10	BBGE	
CCn1ccn(C[C@@H](C)C(=O)NN)c1=O	1912238823	GJDOGUKGRBHHJN-SSDOTTSWSA-N	212.253	-0.704	50	10	BBGE	
COC(=O)[C@@H](CN)N1CC=C(C#N)CC1	1917108206	GRRPFGAFPBFFAM-SECBINFHSA-N	209.249	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@@H]1CCOC1	1927917596	LUYCQWZKUWONGA-IWSPIJDZSA-N	214.265	-0.335	50	10	BBGE	
C[C@@H](NC(=O)NN)[C@@H]1CCCS(=O)(=O)C1	1928366571	YATLKAAAWPMUFW-RNFRBKRXSA-N	235.309	-0.627	50	10	BBGE	
NNC(=O)CCN1C[C@H](C2CC2)[C@@H](O)C1	1929071091	FSAMXLBGGJZROB-BDAKNGLRSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1CCOCCN1CCC(=O)NN	1929660124	WKCUVJVJKNIMNH-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CC(C)(C)SC1CN(C(=O)C(=O)NN)C1	1933226277	VDENTKUFVFLEJK-UHFFFAOYSA-N	231.321	-0.281	50	10	BBGE	
O=C(CCl)N1CCOC[C@H](CO)C1	1933630203	KATFJINPCCEAOR-ZETCQYMHSA-N	207.657	-0.308	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@]2(C)C[C@H]1CO2	1936102424	DPLDSJVKXXERMT-FTYOSLGDSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CN1CC(C)(C)C[C@H]1CO)C(=O)NN	1938237662	PRMOFTVOGHKYGU-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CC[C@H]1COCCN(C[C@@H](C)C(=O)NN)C1	1939306566	GSNREPALCXMDJN-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CN(C)C(=O)[C@H]1CCCN1CCCC(=O)NN	1940291303	JWNRSYLIVDBHTF-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@]1(C)CO	1941092113	GJDRVMQLBMRKTM-DTHBNOIPSA-N	241.335	-0.437	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1C(N)=O	1942615873	LHMBTJXBSJTRRN-YIZRAAEISA-N	242.323	-0.803	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCn1ccnc1	1944475756	PBDKRGAZFKDGKQ-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949276231	BOMZOFMJYBIBAV-JIGDXULJSA-N	249.261	-0.401	50	10	BBGE	
CN(C)S(=O)(=O)N1CC(Br)C1	1953325647	BEQPTVFULMDWNR-UHFFFAOYSA-N	243.126	-0.128	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(O)(CO)C1	1954054992	BPPHFRUINLPRLI-LURJTMIESA-N	207.657	-0.431	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCNC(=O)C1	1954238382	GPOXABVMWCSKDJ-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOCC12CNC2	1957249368	JQXUXFJANGYDML-MRVPVSSYSA-N	215.684	-0.208	50	10	BBGE	
CC[C@@H](O)CN(C)CC(C)(C)C(=O)NN	1959517018	MRZVSKQNFHFUSS-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](F)C2)nc1	1961676745	HZSYUOLQMORVFA-MRVPVSSYSA-N	210.017	-0.690	50	10	BBGE	
OB(O)c1csc(OCc2ccco2)n1	1961694833	UPIHSCOQTPTZMJ-UHFFFAOYSA-N	225.034	-0.005	50	10	BBGE	
COC(C)(C)COc1nc(B(O)O)cs1	1961697888	ZHQWYAYLMMEQBY-UHFFFAOYSA-N	231.082	-0.373	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCO1	1961718955	WELQMHPRCWPGAS-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
CCN(CCOC)c1nc(B(O)O)cs1	1961719122	YPIBHDIWPLKCSU-UHFFFAOYSA-N	230.098	-0.704	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccc(B(O)O)cc1	1969434528	IZJPLFVADDSVRK-UHFFFAOYSA-N	243.071	-0.372	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC2(CNC(=O)N2)C1	1974909654	UQPMELWJYWWXIY-LURJTMIESA-N	231.683	-0.245	50	10	BBGE	
CON(CC(C)(C)C(=O)NN)[C@H]1CCOC1	1978751206	UYMJAKVBIPFETH-QMMMGPOBSA-N	231.296	-0.345	50	10	BBGE	
O=C1NC[C@@]2(CCCN(C[C@@H](O)CCl)C2)N1	1983848605	VGSGTWIXDRQKTB-WCBMZHEXSA-N	247.726	-0.267	50	10	BBGE	
CC(C)(C)OCn1cccc(B(O)O)c1=O	1984100916	DJWIOWQPRBDIPK-UHFFFAOYSA-N	225.053	-0.699	50	10	BBGE	
CN(CCCCO)CCC(F)(F)C(=O)NN	1984130404	SAUSXZNBZGAZSG-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
CC(C)(CCN1CC([N+](=O)[O-])C1)C(=O)NN	1989299924	HSHIWOMXIGZGQH-UHFFFAOYSA-N	230.268	-0.647	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCOCC1	1990775646	YMCXAXGFZZVINK-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
CC(C)CS(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991329060	VIWJPLPQMQOVSD-SECBINFHSA-N	247.125	-0.337	50	10	BBGE	
COC1(C(=O)N[C@@H]2CCC=C2B(O)O)CC1	1991332861	RWNIFXYXOZVPCM-MRVPVSSYSA-N	225.053	-0.618	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1COCC1(F)F)C(=O)NN	1991602587	JROHYYDDABDIOS-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)[C@H]3C[C@@H]3Cl)C[C@@H]12	1991693048	KYDQUFNPLCLTQY-YTLHQDLWSA-N	242.662	-0.655	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)[C@@H](CN)C1	1991714669	JXWOVISGXWLCMQ-SGJFDWMWSA-N	245.710	-0.591	50	10	BBGE	
CO[C@H]([C@@H](C)NC(=O)C(=O)NN)C(F)(F)F	1991805765	CSRYRHIHZNCVSJ-QWWZWVQMSA-N	243.185	-0.942	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCOCCO1	1992316270	OOUCMZFJDSOYDX-UHFFFAOYSA-N	239.222	-0.735	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(CO)C1	1992490865	SYZVMKXCNDGDHU-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
CNC(=O)Nc1cc(C)c(B(O)O)cc1C	1994192065	FERSYJFZUWZFKV-UHFFFAOYSA-N	222.053	-0.265	50	10	BBGE	
Cc1ccnn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1994698504	LXSSDZADTLQEFX-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
COCCO[C@H]1CCN([C@H](C)CC(=O)NN)C1	1996764782	NGUOXDFICHJTSU-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCOCCCO	1997689801	VNKGQHQZXKTUAD-RKDXNWHRSA-N	243.259	-0.698	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866600	UAFOLBCTIGXJMU-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1	2000410486	HVPGWUVAKNYSCQ-ZFRGLUTLSA-N	242.034	-0.146	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(F)CC2C3)n1	2002398721	NPCOCMWOZPUEST-UHFFFAOYSA-N	240.238	-0.036	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@H]2CC[C@H]21	2002916712	PJJSHVLDEKYAJE-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
COC[C@@]1(C)CC(=O)N(C[C@@H](C)C(=O)NN)C1	2003990862	ALLUHKGXUAHYFO-KCJUWKMLSA-N	243.307	-0.503	50	10	BBGE	
CN(CCC(C)(F)F)c1ncncc1B(O)O	2004911086	CGWKPAZLZBBHCX-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	2012894888	DWUHSIVZKLTOAS-ILWJIGKKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC2(CC(O)C2)C1	2013331312	YQLBHRNISCFEJQ-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1[C@@H](N(C)CCC(=O)NN)C2CCN1CC2	2017622618	KLAMGGNIESVHSF-BXKDBHETSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H](C2)O3)o1	2021436153	YPPUIBPPERSSET-DTORHVGOSA-N	237.259	-0.144	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]1C1CCC1	2052468225	AJTRRXRVXSPQEV-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncnc(N(C)C2CC3(CC3)C2)c1B(O)O	2052552898	ZMGZJRAMFBJJSC-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(Cl)c1B(O)O	2060017532	YDOGCRVWKLYLMU-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCc1c(C=O)cc([N+](=O)[O-])cc1B(O)O	2060035227	DUJKAXVKXVEGTD-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCc1c(F)cc([N+](=O)[O-])cc1B(O)O	2060083716	CGOMAOPPPQNRHM-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
O=Cc1c(OC(F)F)ccc(B(O)O)c1F	2060262041	HVHUBKXJSJAQFJ-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
Cc1ncc(OCC2[C@@H]3COC[C@@H]23)cc1B(O)O	2068627499	HDLXXAVCWLPSSZ-NXEZZACHSA-N	249.075	-0.659	50	10	BBGE	
O=C(NCC#CB(O)O)C1Cc2ccccc2C1	2077483841	RWVRYQHCPJNJHA-UHFFFAOYSA-N	243.071	-0.467	50	10	BBGE	
Cc1ncnc(C(=O)N2CC[C@H](B(O)O)C2)c1C	2208732275	RCARPQLFJKGYSD-VIFPVBQESA-N	249.079	-0.218	50	10	BBGE	
CN(C)CC1(C(=O)NN)CCOCC1	2210035696	LUWSEJITUFQCTN-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
COc1cnn(Cc2ccc(B(O)O)s2)c1	2211073242	YIZCRVMEIDHUKQ-UHFFFAOYSA-N	238.077	-0.319	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCO[C@]2(C#N)C1	2216067465	FJBFGLLCPVGIFW-FXPVBKGRSA-N	238.291	-0.631	50	10	BBGE	
NNC(=O)C1(CN2CC(O)(C3CC3)C2)CCC1	2216534776	REWPCHCOSACMHN-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
C[C@H]1C[C@H]1NCCOc1ccc(B(O)O)cn1	2217182749	CKBKTTXWIGNDBB-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2ncccc2B(O)O)C1	2217184350	OQYSPCSHTXTUIN-DTWKUNHWSA-N	235.096	-0.557	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1cc(B(O)O)ccn1	2217186454	KPLXCOKGYYFEII-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H]1C[C@H](Oc2nccc(B(O)O)c2F)CO1	2217190465	NMNMCJFTXYVPKV-RQJHMYQMSA-N	241.027	-0.543	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCOC[C@@H]2F)c1	2217194356	VCLZJDXZOJCHDA-DTWKUNHWSA-N	241.027	-0.733	50	10	BBGE	
Cc1nc(N(C)CC[C@@H]2C[C@@H]2C)ncc1B(O)O	2220936041	JNLRQFHSEQVJTG-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
N#Cc1ccc(=O)n(CC2(C(=O)NN)CCC2)c1	2222573822	XJHUIDLLDYIBFO-UHFFFAOYSA-N	246.270	-0.120	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3CNC[C@H]32)c1	2223637122	OFTAOAXWBGQWSF-JMJZKYOTSA-N	247.107	-0.829	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@H]3CN[C@H]2C3)cc1B(O)O	2223646878	QLKKVNIJPYGXAT-YWVKMMECSA-N	247.107	-0.910	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCN[C@H]2C)cc1B(O)O	2223650135	IQAFAHCXVQSORQ-GXSJLCMTSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1cccnc1NCC12CCN(CC1)C2	2223673616	LGBXLDXSZNIHLT-UHFFFAOYSA-N	247.107	-0.731	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1[C@H]2CCCC[C@H]21	2224026854	QLOYGMHPFSCTTF-URLYPYJESA-N	248.091	-0.641	50	10	BBGE	
O=C(F)N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2241297580	LYOBQVXFAPNBMH-VQVTYTSYSA-N	205.185	-0.464	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(F)cc(F)c1	2243356173	CHURVGIXGXRIHC-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
C=CC[C@@H]1CCCCN1C(=O)C#CB(O)O	2243361724	GGPFANDHZRSZTO-SNVBAGLBSA-N	221.065	-0.041	50	10	BBGE	
CCO[C@H](CNC(=O)C#CB(O)O)C(C)C	2243362883	XVJQPXRLADOOMU-SECBINFHSA-N	227.069	-0.821	50	10	BBGE	
CC(C)N(O)C(=O)c1ncccc1B(O)O	2243375437	SWOZFUPLCOUSGA-UHFFFAOYSA-N	224.025	-0.999	50	10	BBGE	
C[C@@H](NC(=O)c1csnc1B(O)O)C1CC1	2243378601	WHOMHQSHBNGDFO-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)[C@H]1C[C@H]1B(O)O	2243391158	HEFCVQRBYFIASM-SQXHDICFSA-N	223.081	-0.036	50	10	BBGE	
COC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243395781	BSVBRRYDPMUGFR-ZKCHVHJHSA-N	227.069	-0.513	50	10	BBGE	
CON(C(=O)c1ccsc1B(O)O)C(C)C	2243397672	HCADGLHFQIOPOY-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
Cc1csc(C(=O)NCC(F)F)c1B(O)O	2243404918	WRFQZBRKBPMMSX-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
O=C(Nc1ccns1)c1ccoc1B(O)O	2243406517	ABZBMZWEKVAIBS-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(N1C[C@@H]2CCO[C@H]2C1)C1(B(O)O)CC1	2243409294	FPPNJPLKKJKZSR-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(C)C2CC2)s1	2243413158	AIMNAQPLHUVPGL-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)sn1	2243415063	NKYFYQPWNHQSHC-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
C#CC(=O)Nc1cc(C)c(B(O)O)cc1C	2243677900	BEBSATAEHFFZFS-UHFFFAOYSA-N	217.033	-0.445	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244219666	OVKJWOJYPGHRLY-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
O=C(Nc1cnoc1)c1ccncc1B(O)O	2247722618	MMUUZPYMCBQSHV-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1cn(C)[nH]c1=NC(=O)C1(B(O)O)CCC1	2247733126	MOAPXYAMMTXVSS-UHFFFAOYSA-N	237.068	-0.514	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@@H]1C1CC1	2247743060	YHFVJLLEFMISMP-MWLCHTKSSA-N	237.064	-0.972	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1c[nH]nc1B(O)O	2247782241	SKDBDKACPBLHBQ-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247793491	YBYMLPLBSQGTCY-ZYUZMQFOSA-N	243.112	-0.237	50	10	BBGE	
CO[C@H]1C=C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796673	BUXYXSJXWWNDIM-KYXWUPHJSA-N	239.080	-0.301	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2COCC[C@@H]21	2247800567	QFLMZCDNMHXKAA-RGWUEKKESA-N	239.080	-0.513	50	10	BBGE	
NC[C@H]1C[C@@](F)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247807982	SLZWLXQYQPOBPT-GHCJXIJMSA-N	244.075	-0.958	50	10	BBGE	
CCC1(C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247849660	CUNJBKIGYZYWAU-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
C#CCN(C)C(=O)c1c(F)cccc1B(O)O	2247854003	VXBHWWQVBMIMMR-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2247854630	GFGVMGORLIRHMG-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
C=CC1CC(NC(=O)c2coc(B(O)O)c2)C1	2247855286	PPWNAVRQTLHQAK-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@H]1C	2247858664	GTZHCHGNZRDYEJ-LDYMZIIASA-N	233.076	-0.187	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1coc(B(O)O)c1	2247870417	JJPACNMTEGLYFY-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
O=C(NCC1(CCO)CC1)C1(B(O)O)CCC1	2247879514	TXRZVSXAYVMLTJ-UHFFFAOYSA-N	241.096	-0.338	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894882	LUOSHILDSISTOR-XKNYDFJKSA-N	240.112	-0.504	50	10	BBGE	
NC[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247898775	HQEYYCLZZLBRHC-HJGDQZAQSA-N	238.096	-0.953	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1N[C@H]2CC[C@H]1C21CC1	2247900650	YRDFKUWHMBXOQK-JBDRJPRFSA-N	236.080	-0.493	50	10	BBGE	
CO[C@H]1C=C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247908916	BUXYXSJXWWNDIM-BMNUFHGDSA-N	239.080	-0.301	50	10	BBGE	
CC(C)(CCCNC(=O)C#CB(O)O)C(=O)O	2248575130	FPSJXRPCDOLQEH-UHFFFAOYSA-N	241.052	-0.991	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H](F)[C@H](F)C1	2249411847	UPEJJFNBKSHKJF-HTQZYQBOSA-N	244.990	-0.909	50	10	BBGE	
O=C(NCc1ccco1)c1cc(B(O)O)co1	2249418055	OHHSUKGGYGSUEQ-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249591780	DHZCSQYBDZUDHE-MMOIIXQKSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C1(C)C	2249884616	CYXSOSLUAILTTF-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
O=C(N1Cc2cc(O)nnc2C1)C1(B(O)O)CC1	2255479739	UHBLRIFGCHKJHK-UHFFFAOYSA-N	249.035	-0.969	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(C)cc1B(O)O	2255512209	WLIPMKFQPCGNOJ-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ncccc1B(O)O	2255515914	DOKDTKXEORGYMP-SNVBAGLBSA-N	248.091	-0.368	50	10	BBGE	
C=CCC1(NC(=O)c2n[nH]cc2B(O)O)CCC1	2255548138	RMXXOUCFDKGPTM-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ncc(B(O)O)cc1C	2257491443	MUAKKLBUWXMXFX-VIFPVBQESA-N	246.075	-0.624	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1cc(B(O)O)co1	2258154846	LQMHXLDSIJXBAQ-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
C[C@@]12CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@]1(CO)C2	2298376545	BFXNKDFIUZKQQK-JZSSXWJLSA-N	239.080	-0.920	50	10	BBGE	
CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376968	ZTKJXTZMMZXJQV-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](COC[C@H]1COC(C)(C)CO1)C(=O)NN	2301605576	NXFZSSZDKPIQLR-BDAKNGLRSA-N	246.307	-0.177	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)CNC(=O)C#CB(O)O	2301979383	VNLOLDDZDGLZDW-SNVBAGLBSA-N	241.096	-0.839	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCO[C@@H](C#N)C1	2302025153	YJNDMQAPNJZRPE-ZJUUUORDSA-N	240.307	-0.241	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCNC(=O)[C@H]1C	2302061574	TWKHIIMCNXXYOZ-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3CCC[C@H]32)ncc1F	2303837332	YRQNPSDCFOHGBD-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2313081246	HLBALSONWCXULB-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
C=CC[C@H](Oc1ccc(B(O)O)cn1)[C@H]1CCN1	2314242609	BGLVYHQROIEYBJ-MNOVXSKESA-N	248.091	-0.553	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2cc(B(O)O)co2)CC1(C)C	2314514631	LNEQLQGNQUROPB-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
CC[C@@H](O)CN(C)c1ccc(B(O)O)cc1C#N	2317152984	IBBFOVGHFXRGKO-LLVKDONJSA-N	248.091	-0.555	50	10	BBGE	
C[C@@H](Cl)C(=O)Nc1cnn(CC(N)=O)c1	37005713	WDHSNPRCFMFYER-RXMQYKEDSA-N	230.655	-0.066	50	10	BBGE	
O=S(=O)(NCCCl)N1CCOCC1	40972914	BIWVLYJJISQWJP-UHFFFAOYSA-N	228.701	-0.608	50	10	BBGE	
CC(=O)NNC(=O)C(=O)Nc1ccc(O)cc1	82302604	CSTCKIAKRUPLTJ-UHFFFAOYSA-N	237.215	-0.502	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nnc(N)s1	82472897	YQLSUSQSDFKWER-VKHMYHEASA-N	233.322	-0.019	50	10	BBGE	
COC[C@H](C)C(=O)NNC(=O)c1cnn(C)c1	117678497	MHRXHZQQGCVDAH-ZETCQYMHSA-N	240.263	-0.536	50	10	BBGE	
CC(C)CNC(=O)CN(C)[C@@H](C)C(=O)NN	127550772	RXTWRQXJKCQAER-QMMMGPOBSA-N	230.312	-0.931	50	10	BBGE	
O=C1C[C@]2(CCN(C(=O)CCl)C2)CN1	170279642	LETCDIZEXBFDDW-SECBINFHSA-N	216.668	-0.036	50	10	BBGE	
N[C@H](CBr)P(=O)(O)O	196891722	VEJWWQXJXNFUNB-REOHCLBHSA-N	203.960	-0.156	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1cn(C)nn1	234564121	BSQPRTZLUBPITE-ZETCQYMHSA-N	232.671	-0.315	50	10	BBGE	
CCOC(=O)[C@H](CO)NC(=O)CCl	238251824	DIBYQRAIVBBQLQ-YFKPBYRVSA-N	209.629	-0.735	50	10	BBGE	
CN(CCOC(=O)N(C)N=O)C(N)=O	238314331	FXKDOCYGIBUNRN-UHFFFAOYSA-N	204.186	-0.253	50	10	BBGE	
N[C@@H](c1cccc(B(O)O)c1)C(F)(F)F	238634256	JHCSNYJTHYHNAV-ZETCQYMHSA-N	218.971	-0.072	50	10	BBGE	
CC(=O)N(CCN)C(=O)NCCCl	243586197	ORIDCXDRVDLVMC-UHFFFAOYSA-N	207.661	-0.258	50	10	BBGE	
CN1CCC[C@H]([C@H](N)CC(=O)N(C)N)C1	258962798	CFSNJRRYEJLPRT-DTWKUNHWSA-N	214.313	-0.622	50	10	BBGE	
OB(O)c1cc(F)cc(CN2CCC2)c1	307426989	QBKJUXKQMUKGJY-UHFFFAOYSA-N	209.029	-0.289	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)N(C)C)CC[C@@H]1N=C=O	309140327	WFWNMBFZIGMOBU-BDAKNGLRSA-N	247.320	-0.161	50	10	BBGE	
CNC(=O)C(C)(C)NC(=O)NC(=O)[C@@H](C)Cl	312823805	OWWZGHRVLTZNEC-RXMQYKEDSA-N	249.698	-0.036	50	10	BBGE	
Nc1nc(CCl)nc(N[C@H]2COC[C@H]2O)n1	323704110	RKUZMCOHMUWOKJ-CRCLSJGQSA-N	245.670	-0.636	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)C(C)C	379601738	MDYHAZAGLJKCEF-ZETCQYMHSA-N	201.270	-0.212	50	10	BBGE	
C=CC(=O)NNS(=O)(=O)c1ccc(N)cc1	381050416	HUXNYJBHYCHAIW-UHFFFAOYSA-N	241.272	-0.236	50	10	BBGE	
CC(C)N(CCCC(=O)NN)CCOCCO	384167465	VOKUMOCNTSEFCM-UHFFFAOYSA-N	247.339	-0.524	50	10	BBGE	
CCCC1(O)CN(C[C@@H](C)C(=O)NN)C1	384168420	SZJKFCIFKIFWDH-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)cc2nc[nH]c12	396117735	YTSUVHAADMLVED-UHFFFAOYSA-N	206.954	-0.849	50	10	BBGE	
CCCC[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396457403	KOYPAQSZRSJMQL-NWDGAFQWSA-N	237.108	-0.083	50	10	BBGE	
NC(=O)CCS(=O)(=O)CCOCCCl	399283257	OJQVCLNVICEDMO-UHFFFAOYSA-N	243.712	-0.468	50	10	BBGE	
C[C@@H]1COCCN(Cc2cccc(B(O)O)c2)C1	399550899	BTGFCLTWQPDWEA-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@@H]1CCCOC1	402709590	RTHPNJFNPIOHLO-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(C)(CO)CC1	402739765	HSOAKUMZVJIUAC-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCCCN(CCCO)C1CC1	404253118	OUAOHZUPFKDIJP-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C#CCOC(=O)Nc1cc(B(O)O)ccc1C	405089660	SCEBBXHQDYPLET-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
COC[C@H](C)OCC(F)(F)C(=O)NN	685956350	CKFFXSJMYVPMIK-YFKPBYRVSA-N	212.196	-0.337	50	10	BBGE	
C=C(CN1CCC(O)(C#N)CC1)C(=O)O	692168376	UZRJZIPSHVJJKJ-UHFFFAOYSA-N	210.233	-0.022	50	10	BBGE	
N#C[C@@H]1CCN(Cc2nc(C(=O)NN)co2)C1	693991035	HTPYPKNHVNTHCD-ZETCQYMHSA-N	235.247	-0.376	50	10	BBGE	
N#Cc1ccc(Cn2cc(B(O)O)cn2)cc1F	694506357	AMNCOAAWZXYZPD-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
Cc1nc(C(=O)N2CCC(O)(C#N)CC2)no1	700624189	BUAMNCOGMCPUCF-UHFFFAOYSA-N	236.231	-0.131	50	10	BBGE	
O=C(NCC1CC1)Nc1ccccc1B(O)O	701044882	LOZPSELHIFZASZ-UHFFFAOYSA-N	234.064	-0.102	50	10	BBGE	
O=C(NCB(O)O)c1cc(F)cnc1Cl	702028953	JGGAIWSLRSRLTC-UHFFFAOYSA-N	232.407	-0.384	50	10	BBGE	
CN(C(=O)CCl)[C@H]1C[C@@H](C(N)=O)C1	703504632	CLRJACGVMFMWCZ-OLQVQODUSA-N	204.657	-0.053	50	10	BBGE	
CCCc1nc(C(=O)NNC(N)=S)n[nH]1	706053139	JVZRCCTVNAYAGG-UHFFFAOYSA-N	228.281	-0.765	50	10	BBGE	
Cn1cc(CB(O)O)c(Br)n1	713815385	BMXASTCKFHZWPW-UHFFFAOYSA-N	218.847	-0.263	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@]1(C)CO	723001604	ZCFMTAZDVRDYBZ-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CS(=O)(=O)c1cnn(C[C@H](O)CCl)c1	725252736	WRHJIAJCQORVGX-ZCFIWIBFSA-N	238.696	-0.114	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCSCC1	725663101	BKQVSLCNUGZCHW-SFYZADRCSA-N	215.322	-0.339	50	10	BBGE	
CC1(C)CC[C@@H](C(=O)NNC(=O)C(C)(C)O)O1	787570369	NAGRGKSQCWJRMA-ZETCQYMHSA-N	244.291	-0.138	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1C[C@H]1C(=O)OC	808075192	SNGABLVBLUVULU-JGVFFNPUSA-N	230.264	-0.595	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	823384688	ROMAXIQJNIRWIX-GSVPJAPCSA-N	240.303	-0.246	50	10	BBGE	
Cn1ncc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)n1	844608823	KWJKRVRTCWBSNE-KXUCPTDWSA-N	249.274	-0.167	50	10	BBGE	
O=C(/C=C/C1CC1)NNC(=O)[C@H]1CCC(=O)N1	862456711	RQAOGSCUFCAFTA-RYEJSQLPSA-N	237.259	-0.621	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NNC(=O)C(C)(C)O	907627672	SRHSQHCYMWSUDR-BIIVOSGPSA-N	244.291	-0.424	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H](C)c1cncnc1	910152700	MZLBPPRISRASMZ-RKDXNWHRSA-N	238.291	-0.076	50	10	BBGE	
Cc1cc(C(=O)NN(C)C[C@@H](C)O)cnn1	910160400	NNXQGHREOBICNQ-MRVPVSSYSA-N	224.264	-0.258	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cccnn1	1453284346	LIXFRRVZIUDLMI-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CCC(=O)N[C@@H](C)C(=O)NNc1ccn(C)n1	1638665773	NZPFBVXUVRABDD-ZETCQYMHSA-N	239.279	-0.222	50	10	BBGE	
COC(=O)c1csc(B(O)O)c1C	1848350709	PPWIHEZODNZZHV-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
COC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1	1875837894	XVBPAWWBRZUYJK-GXSJLCMTSA-N	249.075	-0.869	50	10	BBGE	
CN(C)NS(=O)(=O)CCOCCCl	1883180399	VCKAJAPSDRJACI-UHFFFAOYSA-N	230.717	-0.362	50	10	BBGE	
O=C(Cl)/C=C/C(=O)Nn1cnnc1	1883646898	FYRMFGZJBFUJBG-OWOJBTEDSA-N	200.585	-0.330	50	10	BBGE	
N[C@H]1CCO[C@@H]1C(=O)NC1CC(Cl)C1	1884411395	BTRVAGQGNIKNAQ-GHNGIAPOSA-N	218.684	-0.011	50	10	BBGE	
CC1(C(=O)NOCCCl)CS(=O)(=O)C1	1888301241	YTZXHSNDQUADOP-UHFFFAOYSA-N	241.696	-0.292	50	10	BBGE	
C#CC[C@H](C)C(=O)NN(C)S(C)(=O)=O	1888561901	LQPNZCYWZKPFQY-ZETCQYMHSA-N	218.278	-0.432	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1893099752	QPIUQGVLJLTKAV-FXQIFTODSA-N	219.716	-0.381	50	10	BBGE	
C=C(CN(CCC)S(C)(=O)=O)B(O)O	1895191750	SQCOIHFQNVGTGE-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
CS[C@H]1C[C@@H](C(=O)NCCC#CB(O)O)C1	1899769383	FYJXNTMNFJMGIS-DTORHVGOSA-N	241.121	-0.350	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)CS1(=O)=O	1901036661	OZTPGQSPRYMEAL-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1SCCCN	1901200711	XIEVSEMODFZXPF-UHFFFAOYSA-N	236.105	-0.321	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1NCC[C@H]1C	1901343147	AOLNPEVYKOBONT-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
C#CCC[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1901377404	NTVXBLALHGLDEY-QMMMGPOBSA-N	247.320	-0.960	50	10	BBGE	
COCC(COC)CN1CC[C@@H](B(O)O)C1	1902505001	BZNJWWGLUWMANJ-SNVBAGLBSA-N	231.101	-0.556	50	10	BBGE	
CO[C@H]1COCCN(CCCC(=O)NN)C1	1904647863	ZTNJPTULGBCYEM-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
COCc1nc(=NC(=O)CCl)n(C)[nH]1	1905142901	OMRKWZZNGOOICE-UHFFFAOYSA-N	218.644	-0.439	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@@H](C)O1	1907091455	PJPBVNVJJPNUJY-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@H](O)C(C)(C)[C@@H]21)C(=O)NN	1907867960	WRDPSLIDVWRBGV-RGOKHQFPSA-N	241.335	-0.296	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	1908896577	AKNJMBCMDXWAEV-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@H]1C(F)F	1909981731	BPHBSKLQDVVOAV-JGVFFNPUSA-N	249.261	-0.013	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1CO	1911478183	AFTRUGRUTGZHTD-RCWTZXSCSA-N	241.335	-0.437	50	10	BBGE	
COc1ccc([C@@H](N)B(O)O)c(OC)c1	1912277875	MTYYGZOBGXDRQX-SECBINFHSA-N	211.026	-0.284	50	10	BBGE	
CC[C@@H]1CCN(CCC(=O)NN)CCO1	1913634081	IYYRUZIRVNZJRW-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
COC1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1927916479	DXSOFHGMQXAYND-SFYZADRCSA-N	213.281	-0.667	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]2CCCC[C@H]21	1928146391	FKCCARYMHYGOKH-IWSPIJDZSA-N	211.070	-0.059	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@@H]1[C@H](O)CO	1928572891	BXGRCHKWZJSEMF-BWZBUEFSSA-N	237.683	-0.806	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@@H](F)C2)n1	1930620369	CPCWDUUTLLDPFR-JGVFFNPUSA-N	212.033	-0.299	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]2C[C@H]2CO1	1931599576	YTHULOXWZWECPM-ZLUOBGJFSA-N	215.278	-0.724	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C(=O)NN)C1(F)F	1933127018	HJYQCZJZIZLELZ-RXMQYKEDSA-N	207.180	-0.864	50	10	BBGE	
COC1(CO)CN(C[C@H](O)CCl)C1	1935347066	KNAZJHCHYQDOQP-SSDOTTSWSA-N	209.673	-0.721	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H](C)O1	1935940368	BYOXXKZXRUZVFG-KNVOCYPGSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1936089346	UPTVJCNSEORBNH-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
COCCN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936095149	ULZARHZCDLMFJB-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CN1C[C@H](NC(=O)Cn2cncn2)[C@H](Cl)C1	1937194681	SSSKCZJVLIVLME-SFYZADRCSA-N	243.698	-0.684	50	10	BBGE	
CO[C@@H]1CCC[C@@H]2CN(CC(=O)NN)C[C@@H]21	1938088760	VAHVRQJUCMGLLX-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1C2CCC1([C@@H](C)O)CC2	1938703629	BMABVTMVKXEGIG-OQVRZCNBSA-N	227.308	-0.257	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H](O)[C@H](F)C2)c1	1944306779	FINPXGDCBIYAIM-RKDXNWHRSA-N	243.238	-0.602	50	10	BBGE	
CN(C)Cc1cnsc1C(=O)NN	1954122129	RZVJFFWWZAOHDR-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CSSCCNC(=O)CC1(O)CNC1	1955021735	JHHOPTGQEPKOCP-UHFFFAOYSA-N	236.362	-0.162	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)[C@H]2C[C@@H]21	1956634853	QRNSARNXDOWKOU-YUMQZZPRSA-N	238.740	-0.057	50	10	BBGE	
NNC(=O)CN1CCC[C@H]1c1ncon1	1958699581	ORGKHQLHOPMGAU-LURJTMIESA-N	211.225	-0.804	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1961815380	OAADZJLMVBSYRM-YQXRAVKXSA-N	209.249	-0.863	50	10	BBGE	
O=C(NCB(O)O)c1cc2c(s1)CCOC2	1975450621	JFQRHPDCELKRPJ-UHFFFAOYSA-N	241.077	-0.437	50	10	BBGE	
CCO[C@H]1CCCC[C@@H]1NC(=O)C(=O)NN	1977514764	MIOYZEGVUHEVOH-YUMQZZPRSA-N	229.280	-0.560	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)[C@H](C)CCC(=O)NN	1979616473	RBEBPLUOKNTDSG-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
COCCn1nnnc1CNC(=O)CCCl	1980592375	HOYVMAFLNCMTML-UHFFFAOYSA-N	247.686	-0.435	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N(C)CC)C1	1980600686	AFXIZZZSBTUKJY-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C)CN(C)c1ncc(B(O)O)cn1	1981408528	BOLRESBNUNCCDG-QMMMGPOBSA-N	223.085	-0.361	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	1981410291	XTOHIFLWDYPAOI-JGVFFNPUSA-N	221.069	-0.751	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H](F)C2)nc1	1981413707	JTKAGQQXSFQNMG-MRVPVSSYSA-N	225.032	-0.905	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)[C@H]2C)n1	1981468821	IRJRTOWLFQDDDY-RNFRBKRXSA-N	221.069	-0.691	50	10	BBGE	
NNC(=O)c1sncc1CN1CCCC1=O	1981730313	NMNCUMDMZZETSP-UHFFFAOYSA-N	240.288	-0.131	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(CCN(C)C)C1	1983326821	FOEKLGHTTLGBBF-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCOCC2)C1	1985356956	KIEZZJBYLSHVIE-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@H]2CC[C@H]2C1	1992125407	RHACLCNLRYEFPF-DTORHVGOSA-N	222.053	-0.947	50	10	BBGE	
C=C(CN1CCS(=O)(=O)[C@H](C)[C@H]1C)B(O)O	1992145926	OUOOHGHKXSGMAL-RKDXNWHRSA-N	247.125	-0.938	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1993221222	IWMRIRQTRDTCCD-WCABBAIRSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2[C@@H]3CO)CC1	1994021097	WCGCVKMQRMCKBG-HLTSFMKQSA-N	225.292	-0.931	50	10	BBGE	
Cc1coc(C(=O)N[C@@H](CB(O)O)C(=O)O)c1	1998132112	BSUPOMOTQJMPHY-LURJTMIESA-N	241.008	-0.756	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1cccc(B(O)O)n1	1998446831	YNJQIGMATBUKJD-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2nc(C)nc2C1	2003931153	QLGHDOVJBCJCSG-MRVPVSSYSA-N	238.295	-0.829	50	10	BBGE	
Cn1cnc2c1CN(CCCC(=O)NN)CC2	2004041680	RYNOWXLRZCSTHK-UHFFFAOYSA-N	237.307	-0.452	50	10	BBGE	
CN(Cc1cnsc1)c1ccc(B(O)O)cn1	2004921553	XJRHERYXSZHCCZ-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	2008031624	QKPHGYOGWINHHT-OPRDCNLKSA-N	247.314	-0.347	50	10	BBGE	
C[C@@H](CN1CCN2C[C@H](C)C[C@@H]2C1)C(=O)NN	2010601054	RODPXWJQOIMSQR-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
C=C1CON(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023854291	QZKUYAWCDBBBRW-XYPYZODXSA-N	239.275	-0.671	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@H]32)n1	2026067815	IXXQRKGLLTWGPV-NQMVMOMDSA-N	234.064	-0.358	50	10	BBGE	
COC[C@@H](C)COc1nccc(C)c1B(O)O	2026072506	DFGDMRKGCFGTAJ-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@H]3C[C@@H]3C2=O)c1	2027483381	RBFNYOOOIQEDDZ-ZJUUUORDSA-N	246.270	-0.337	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3CC[C@@H]32)n1	2052625307	LAMOENYZBWFISW-UWVGGRQHSA-N	247.107	-0.238	50	10	BBGE	
Cc1cc(N2C[C@@H]3COCC[C@@H]32)ncc1B(O)O	2073042954	KOMRLHLYWPFQIV-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
CCC1(Cn2cnc3c(B(O)O)ncnc32)CC1	2074556674	FEAMUIHQCFXTCP-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
CO[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1	2079008615	LJMSAKLHYXQCJY-GHMZBOCLSA-N	249.075	-0.726	50	10	BBGE	
Cn1ccc(COCc2cccc(B(O)O)c2)n1	2080318149	ATRNDWLEHMPIPC-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2212249280	OKQZHMMIGVPHDN-SNVBAGLBSA-N	227.308	-0.397	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(CCCO)C1	2212354062	YJHJKLXIXWZKOH-JTQLQIEISA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](OC(F)(F)F)C1	2212371156	UUELZIYCBWRWEF-ZCFIWIBFSA-N	241.213	-0.023	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3CCC[C@H]32)nc1	2212604417	WDJZIOPIVAUPSS-BRPSZJMVSA-N	219.053	-0.633	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2[C@H](O)CCC[C@H]2C1	2213405295	LXNOACNMKSTLDI-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@@H]2CC2(F)F)c1	2217174212	XKGGNCUYGONMDK-SSDOTTSWSA-N	242.034	-0.360	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3cc(B(O)O)ccn3)C[C@H]12	2217176273	ULEQJWGHHMCGOD-WCABBAIRSA-N	232.092	-0.146	50	10	BBGE	
CN(C)Nc1ccc(B(O)O)c(C(F)(F)F)n1	2217179709	BHKGXLGCJZDPAP-UHFFFAOYSA-N	249.001	-0.331	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2217183703	NGBARKJAYDZCBI-KNDBQHFLSA-N	230.076	-0.172	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)c1ccc(B(O)O)cn1	2217183759	KVQLEKCQHWCWLT-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1nccc(B(O)O)c1F	2217197060	WZPVVUMLIKDXDU-JGVFFNPUSA-N	240.043	-0.841	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCC[C@@H]2F)nc1	2217198464	BNPJBHKJPDMBOD-IUCAKERBSA-N	239.059	-0.151	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCNCC2)nc1	2217198849	HCMAAJKEKPIAHG-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1cccc(CN2CCN[C@H]3CC[C@@H]32)c1	2220061587	CIYQFNKIRJCNAY-STQMWFEESA-N	246.119	-0.697	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@H]2CC[C@@H]2C(=O)NN)c1	2221565199	BMCQWEAEYUWZBD-ZJUUUORDSA-N	246.270	-0.264	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CC[C@@H](CNC2)C3)nc1	2223640387	WELQUODBQBDHMP-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(N2C[C@H](CN)C[C@H]2C)cc1B(O)O	2223647962	FYLDUYHFLWJOIE-ZJUUUORDSA-N	249.123	-0.757	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2ncccc2B(O)O)CC1	2223670646	AXQLUJDOXZTOMN-VHSXEESVSA-N	249.123	-0.167	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCC[C@H]1CNC2	2223671385	LBEMCCCWHLCOMX-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cn(C)nn1	2223671749	AXKIQARJVHHJFJ-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
CCON(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2241495601	LGTUVEVFQJBOBF-BQBZGAKWSA-N	201.031	-0.351	50	10	BBGE	
CC(C)=CCNC(=O)c1ccoc1B(O)O	2243349032	DSZRAQYFCSSRRD-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
COCCN(C)C(=O)c1ccc(B(O)O)s1	2243349435	LGCFCERMAOEGDB-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC12CCCC2	2243357239	TXUVZMZWUBFIEV-UHFFFAOYSA-N	221.065	-0.063	50	10	BBGE	
CCOC1(C)CN(C(=O)C2(B(O)O)CC2)C1	2243365247	KDTUPSZXGXXKSD-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
COC[C@@H]1CC[C@H]1NC(=O)C1(B(O)O)CC1	2243366088	XJEHDTDHQDHPCR-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
NC[C@@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2243366212	YTLICUBYLRVWBD-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2243376829	PXSQODLTKGCZBV-SSDOTTSWSA-N	220.037	-0.934	50	10	BBGE	
O=C(N[C@@H](CO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2243381152	CUCDWKVYFGVJIF-YIZRAAEISA-N	227.069	-0.874	50	10	BBGE	
O=C(NCC1(F)CC1)c1cc(B(O)O)cs1	2243385977	RXPUZRQRYBKXCP-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
CC(C)CN(CCN)C(=O)[C@H]1C[C@@H]1B(O)O	2243396509	NEHUREIXBFUJII-IUCAKERBSA-N	228.101	-0.707	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243396707	PSFSDRRIGDMPAB-KZVJFYERSA-N	227.069	-0.515	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2243398763	UGULZOOODSLJOT-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
C[C@@H](CCCCO)NC(=O)C1(B(O)O)CC1	2243411260	QQBFLWZEYXMHHL-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1csnc1B(O)O	2243411978	DKNGJUAQKNJPSW-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
C[C@H](NC(=O)C(F)F)c1cscc1B(O)O	2243662981	DWTDOHNAJKELQR-BYPYZUCNSA-N	249.047	-0.130	50	10	BBGE	
OB(O)C1CCN(C[C@H]2COCCO2)CC1	2244179794	GBKJTEIYJKBHIS-JTQLQIEISA-N	229.085	-0.659	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2244191995	JCGAOASCBRWXBP-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCCO1	2244206270	UHTALERBAXXCDS-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
N#Cc1sccc1Cn1ccc(B(O)O)n1	2245889001	BBWIDPLJEIXZCT-UHFFFAOYSA-N	233.061	-0.456	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC[C@H](C)F	2247735292	YMPCHKGGKZLCJO-LURJTMIESA-N	243.043	-0.254	50	10	BBGE	
CN(C[C@@]1(C)CCOC1)C(=O)C1(B(O)O)CC1	2247759226	YXUNGMZVQIDGQR-SNVBAGLBSA-N	241.096	-0.122	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)cn1C	2247764319	RGSQESJEHFHVEJ-QMMMGPOBSA-N	234.064	-0.989	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1cc(B(O)O)n[nH]1	2247783534	GWPJJMCKBHHOKA-UHFFFAOYSA-N	237.068	-0.826	50	10	BBGE	
CC[C@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCCNC1	2247792638	UESXLJPHGDYYPH-KKZNHRDASA-N	240.112	-0.502	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CC[C@@H]21	2247848651	ONARQHQNSIXQNQ-XVKPBYJWSA-N	234.064	-0.681	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247851411	FKLCHVURNCDGJI-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@@H]21)C1(B(O)O)CC1	2247871753	HGYGBVYDBHFJLJ-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
Cc1noc(CNC(=O)C2(B(O)O)CCC2)n1	2247878175	MASAMTRJJKSGPY-UHFFFAOYSA-N	239.040	-0.609	50	10	BBGE	
CCC[C@H](CCO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247894782	KUOTUTPWHYCXPJ-UTLUCORTSA-N	243.112	-0.236	50	10	BBGE	
O=C(NCC12CC(CO1)C2)[C@H]1C[C@H](B(O)O)C1	2247896660	IRNVHBZERUFVTB-RDDJWAPESA-N	239.080	-0.465	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H](C1)OC2)[C@@H]1C[C@@H]1B(O)O	2247898695	HAMUSTCDFYHZHD-DKIAZLNASA-N	239.080	-0.323	50	10	BBGE	
COC[C@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2247909039	DMZZSJVEQJKDKE-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC(F)C1	2247946010	DGBWDAMLOKRDKR-UHFFFAOYSA-N	238.027	-0.448	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)ccc1O	2248028366	JABYQXFSRNCEAT-UHFFFAOYSA-N	239.036	-0.905	50	10	BBGE	
C[C@@H](CCCC(=O)O)NC(=O)C1(B(O)O)CC1	2248573924	LKTWLZLEGSLRFN-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)C2(C)O)C(=O)NN	2249612861	BWRVXYRELRLIFL-USUYBEQLSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)COCCOC1(C2CCC2)COC1	2250781573	ILZJIYDDZMMIPS-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1ccncc1B(O)O	2255457298	AKYRIPPDRNOCBF-PELKAZGASA-N	246.075	-0.566	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCCC[C@H]21	2255465075	FKSSSOCPCMZRNB-LDYMZIIASA-N	248.091	-0.291	50	10	BBGE	
CC1(CCNC(=O)c2ncncc2B(O)O)CC1	2255495405	BXRIIONACLOVLG-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
O=C(Nc1ccccc1O)c1c[nH]nc1B(O)O	2255546644	IHJBEGFJUVCPCZ-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1C[C@@H]2C[C@@H]2C1	2255668883	GFHUHRUXFVDDCQ-MBTKJCJQSA-N	248.091	-0.435	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1c[nH]nc1B(O)O	2255683426	WPBJPWHAAPEORN-CBAPKCEASA-N	249.079	-0.992	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CCCC[C@H]21	2255726695	GLTRKOGXTFKVIQ-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(NCCC1CCC1)c1ncc(B(O)O)cn1	2255773197	DPPPVFWTQCXHCB-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2CC23CC3)oc1B(O)O	2255780261	SYZLXEKVYGMMOV-MRVPVSSYSA-N	249.075	-0.202	50	10	BBGE	
CN(C)c1cc(C(=O)NCC=CB(O)O)ccn1	2256606484	SWRXGKXSFLKKQQ-UHFFFAOYSA-N	249.079	-0.554	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C=CCC2)ncc1B(O)O	2256637281	UIUPSPFGLPXNOD-QMMMGPOBSA-N	247.063	-0.630	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2nc[nH]n2)c1	2256676305	NSSZHEIHEMAWFW-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@H](CO)C1	2300394238	SSKGHXROECIDBR-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
O=C(c1c[nH]ccc1=O)N1CC[C@H](B(O)O)C1	2303113580	DHMLCNMMWHXOIV-ZETCQYMHSA-N	236.036	-0.936	50	10	BBGE	
C[C@@H]1NCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303835136	RJPONKYLTHVBCE-IMTBSYHQSA-N	239.059	-0.937	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1ncc(B(O)O)cn1	2307288352	PLDIINZVFAJZTL-XWEPSHTISA-N	239.059	-0.659	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1ncccc1B(O)O	2312612174	FSEWSYXRBKUNFJ-UUTMEEIUSA-N	248.091	-0.734	50	10	BBGE	
CN[C@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2317811238	KSMGSSFSSDKQLJ-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
N[C@@H](CS(=O)(=O)CCCl)C(=O)O	34156560	UAYZYHMNGSDRHR-BYPYZUCNSA-N	215.658	-0.948	50	10	BBGE	
Cc1cn(CC(=O)Cl)c(=O)[nH]c1=O	34381002	HISRFYUJZHTGKX-UHFFFAOYSA-N	202.597	-0.390	50	10	BBGE	
NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O	85479316	PLRKZCHFWCDTOX-UHFFFAOYSA-N	225.160	-0.104	50	10	BBGE	
CC(C)(Cn1ccc([N+](=O)[O-])n1)C(=O)NN	86598200	IVAPAMDNGMFTJN-UHFFFAOYSA-N	227.224	-0.193	50	10	BBGE	
CCCOCC(=O)N1CCC(C(=O)NN)CC1	110564110	QNRZGCUVAWKQRL-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
CN1CCN(NC(=O)NC(=O)CCl)CC1	149611505	BXAUPOPGYGVVAP-UHFFFAOYSA-N	234.687	-0.787	50	10	BBGE	
O=C1[C@@H]2C[C@H]2C(=O)N1C[C@H](O)CBr	157841662	JJOVHDOAMQPGFY-HSUXUTPPSA-N	248.076	-0.253	50	10	BBGE	
Cc1cnn(-c2cncc(B(O)O)c2)c1	203614274	QYFQCUXFKAZWBA-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@H]1CN(C[C@H](C)C(=O)NN)CCCO1	216478349	BDBWFBIROAKIDG-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
Cn1ccnc1CCOc1ccc(B(O)O)cc1	228701181	VCSXSNHXVKGJIK-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](C)C1	232418892	GNAPPGGCNUXIGZ-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H](Cc1ccccc1)C(=O)O	238663156	DYJBORQENDFVQR-MRVPVSSYSA-N	208.217	-0.080	50	10	BBGE	
COc1ccc(C[C@@H](N)C(=O)NN)cc1C	258939614	CFCGTITUSFVBKY-SECBINFHSA-N	223.276	-0.137	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)[C@H](C)C(=O)NN)C1	300046133	QPGCKFGVXISTGP-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	306948251	SETRIXVLWMZLSF-RCOVLWMOSA-N	234.683	-0.548	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)CC1CNC1	309483043	FGSPBESGSRMXGX-POYBYMJQSA-N	211.265	-0.601	50	10	BBGE	
CN1CC[C@@H](N(C)Cc2ccc(B(O)O)cc2)C1	310982936	JYYXTIATANNAMY-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[S@](=O)CC1	321867228	KDTGTCOFQLJNRN-FVMDXXJSSA-N	247.364	-0.545	50	10	BBGE	
NNC(=O)c1csc(CN2CCCC2=O)n1	328360277	AZLGNWAEMNKWAR-UHFFFAOYSA-N	240.288	-0.131	50	10	BBGE	
CC[C@@H]1CN([C@H](CC)C(=O)NN)C[C@H]1O	399868495	AVGCHIHYJCIACL-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC(F)(F)CC(=O)Nc1ccnc(B(O)O)c1	404972481	RKLWBQNCDOUFKR-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)NC1CC1	405144517	LCBOSXPFPOYUJW-UHFFFAOYSA-N	227.054	-0.893	50	10	BBGE	
Cc1cc(C#N)c(-n2cccn2)c(B(O)O)c1	536952503	CJCZOVDCDFMICX-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
O=C(O)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1	585064986	AOUIESKQFFGEFO-HTQZYQBOSA-N	241.052	-0.828	50	10	BBGE	
N=C(N)NNC(=O)c1cccc([N+](=O)[O-])c1	687769236	QMHOPSDNNBBVLH-UHFFFAOYSA-N	223.192	-0.277	50	10	BBGE	
Cc1ncc(CN(C)[C@@H](C)C(=O)NN)n1C	689550608	BDUOSZKGNWIZQV-ZETCQYMHSA-N	225.296	-0.461	50	10	BBGE	
C[C@H]1CCN(S(C)(=O)=O)C[C@@H]1N=C=O	693477131	WVZXIQJSYKLUBR-YUMQZZPRSA-N	218.278	-0.008	50	10	BBGE	
Cc1nn(CCn2ccnc2)c(C)c1B(O)O	694227112	HHIGIVRLSXCOQH-UHFFFAOYSA-N	234.068	-0.924	50	10	BBGE	
NNC(=O)CCCCCN1CCNC1=O	696371959	CZWMONADJBQKNS-UHFFFAOYSA-N	214.269	-0.438	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1COC[C@H]1O	709211242	VGNDVOUNYPJSOO-GJMOJQLCSA-N	209.673	-0.722	50	10	BBGE	
CC1(C)CN[C@H]1C(=O)N1CCC(O)(C#N)CC1	710124371	LJCZXMINGVVRJG-VIFPVBQESA-N	237.303	-0.139	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)C(=O)NN	718259869	NHPZFIAVBASONZ-KAMPLNKDSA-N	239.319	-0.278	50	10	BBGE	
CCNC(=O)N(C)NC(=O)COC1(C)CNC1	843494975	XSRBWJXVQZQPBZ-UHFFFAOYSA-N	244.295	-0.943	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC=CCC2)nn1	855183817	FXXHFFRYIFQROW-MRVPVSSYSA-N	249.274	-0.068	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	862892958	FEYKUANOUZMMID-XLDPMVHQSA-N	242.275	-0.362	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NN(C)C(N)=O)[C@@H](C)O1	867127850	UZAYRIJNBQVVRX-FSDSQADBSA-N	215.253	-0.158	50	10	BBGE	
CC(C)(C)OC(=O)c1ncc(B(O)O)cn1	1082181911	DSROYSRYCIPFDQ-UHFFFAOYSA-N	224.025	-0.888	50	10	BBGE	
NNC(=O)CCCCCCS(N)(=O)=O	1118182668	GYQZXVKQCGFQPV-UHFFFAOYSA-N	223.298	-0.785	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)C1CC1)[C@H]1CCOC1	1261661680	YANGBGSBNSYRFJ-DTWKUNHWSA-N	242.275	-0.405	50	10	BBGE	
Cn1c(C(=O)NNC(=O)NC2CC2)cnc1O	1543955328	HVSSARIEISPFDL-UHFFFAOYSA-N	239.235	-0.768	50	10	BBGE	
Cn1nncc1NNC(=O)c1cnc(S)[nH]1	1558988795	GTPPATAQVWOIQX-UHFFFAOYSA-N	239.264	-0.416	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)NC1CC1	1583459010	VPOXYASBOIZVFT-SSDOTTSWSA-N	225.248	-0.483	50	10	BBGE	
N[C@H](CBr)C1CS(=O)(=O)C1	1880036866	VUKQWUDLMGUAIK-RXMQYKEDSA-N	228.111	-0.247	50	10	BBGE	
N[C@@H]1COC[C@H]1C(=O)NC1CC(Cl)C1	1884412476	QMXGOLBKPDSIIB-DWYQZRHDSA-N	218.684	-0.154	50	10	BBGE	
C[C@@H]1CNC[C@H](CC(=O)NN(C)C)O1	1885224898	ZKTUHUNJDXIRQZ-SFYZADRCSA-N	201.270	-0.654	50	10	BBGE	
O=S(=O)(NC[C@H](Cl)CF)c1nc[nH]n1	1885225537	FMPCYIDHFINOLD-SCSAIBSYSA-N	242.663	-0.340	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@@H](O)CCl	1887642038	NMGAEYNRHDVPLR-QMMMGPOBSA-N	222.716	-0.004	50	10	BBGE	
NNC(=O)CN1C[C@H]2C(C(F)F)[C@@H]2C1	1889167108	GMOBKCBPPJLULW-RFZPGFLSSA-N	205.208	-0.581	50	10	BBGE	
O=C(NC[C@@H]1COCCN1)[C@@H]1C[C@@H]1Cl	1893453180	LBFBLPPOBDLXMO-PRJMDXOYSA-N	218.684	-0.282	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)[C@H]1C[C@H]1B(O)O	1893580406	LBIBEORNRDVRER-ZTYPAOSTSA-N	201.006	-0.534	50	10	BBGE	
C=C(CN1CC[C@@H](OC)[C@@H](OC)C1)B(O)O	1897394632	OQLJSQATNSGQMX-ZJUUUORDSA-N	229.085	-0.710	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@H]1C[C@@H]1C(=O)NN	1900508079	XUWVYZXEISGKRP-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C#N)C1CC1	1901346669	PBWQMEAIQDJJGI-MRVPVSSYSA-N	245.304	-0.151	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1902521045	FETXDYPHDIWKGK-CIUDSAMLSA-N	227.069	-0.656	50	10	BBGE	
C[C@]1(N)CCN(C(=O)C2(B(O)O)CCC2)C1	1904725371	NCWIJGILRKDKNP-VIFPVBQESA-N	226.085	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCn2cccc2C1	1906986641	LIESWYZHXTZJAI-GXSJLCMTSA-N	234.303	-0.070	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@@H]21	1907073142	WOHOETSPWGFWSZ-FKTZTGRPSA-N	233.080	-0.609	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCC[C@@H]32)ncc1B(O)O	1908819520	QALIJUKIKFBPKP-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
CC(=CCN)C(=O)N1CCC(O)(C#N)CC1	1911727327	YYZBOTLRUCWBIM-UHFFFAOYSA-N	223.276	-0.232	50	10	BBGE	
CON1CCN([C@H](C)[C@@H](C)C(=O)NN)CC1	1915710720	LWKRJSLUHGONMF-RKDXNWHRSA-N	230.312	-0.820	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)C(F)(F)F)O1	1923406669	MACRTGULKIWZHH-VKHMYHEASA-N	240.137	-0.598	50	10	BBGE	
Cn1cc(Br)c(CC(=O)NN)n1	1923936757	LJSYBVADZVCOQV-UHFFFAOYSA-N	233.069	-0.285	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926003072	CWEMJAWTGSANLM-SCZZXKLOSA-N	242.323	-0.837	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1927915710	JYDFBXMDIFOGOR-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
Cn1[nH]cnc1=NCCOCCCl	1930284297	ZLAWVWUJENGIDB-UHFFFAOYSA-N	204.661	-0.096	50	10	BBGE	
CN(C)C1CN(CC2(C(=O)NN)CC2)C1	1931260601	PYXDIUWAWHUXTO-UHFFFAOYSA-N	212.297	-0.998	50	10	BBGE	
CN(C)CCCC(=O)NNC(N)=S	1931361096	XZYMRUIMTVEJKE-UHFFFAOYSA-N	204.299	-0.807	50	10	BBGE	
C[C@@H](N)CSC[C@@H]1C[C@@H]1C(=O)NN	1931384720	HINZCBDMXMHQJJ-VQVTYTSYSA-N	203.311	-0.307	50	10	BBGE	
CCOCCN(CC)C[C@H]1C[C@@H]1C(=O)NN	1936095365	WLISKCJRRNHVQP-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@H]1C[C@H]1C(=O)NN	1936095555	YGVYXNQMBMDJCW-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](c1ncccn1)N1CC(=O)OC(=O)C1	1936445038	YCDSCJPDAMMTNG-ZETCQYMHSA-N	221.216	-0.077	50	10	BBGE	
CC[C@H](C)N(CCO)CCOCC(=O)NN	1936538260	XDMHOXVIUSTFKM-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
C[C@H](Cl)C(=O)NCCC[C@H]1NC(=O)NC1=O	1937750842	BLFJTLBCTJOYKV-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCC[C@H]1NC(=O)NC1=O	1937750843	BLFJTLBCTJOYKV-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H]2CCC[C@H]21	1941080913	WCFOVCGAWYBITG-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H](CCF)C1	1941086020	PKGUNLRPOXLPOZ-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H](CO)C(C)(C)C	1941773131	SRZXNNYLWGCETM-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	1944568388	FKJOARNSNGMPCW-KJPMQGKISA-N	241.335	-0.296	50	10	BBGE	
CCC(=O)N1CCc2cccc(B(O)O)c2C1	1944857566	VBXNOFIMYHPYRD-UHFFFAOYSA-N	233.076	-0.339	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@H](C2=O)C3(F)F)CC1	1945890838	BKVXKZZDAXWPQG-NTSWFWBYSA-N	245.229	-0.520	50	10	BBGE	
COC[C@]1(OC)CCN([C@@H](C)CC(=O)NN)C1	1946474885	QFRWCSGALXGBCD-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
Cc1cc(CN(C)CCCC(=O)NN)n(C)n1	1949602441	ATLNOCCLAOVBGG-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
COCC(C)(COC)[C@H](N)[C@H](O)C#N	1952794397	PGLXAQMLJREACX-HTQZYQBOSA-N	202.254	-0.503	50	10	BBGE	
O=C1CC(S(=O)(=O)NCCCl)C1	1953730934	LXKWJGRUFGBSOL-UHFFFAOYSA-N	211.670	-0.124	50	10	BBGE	
COC(=O)[C@H](C1CC1)S(=O)(=O)N=C=O	1955062969	NRVYKIZCODUVSR-LURJTMIESA-N	219.218	-0.396	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@@H]1C[C@H]1CCl	1955091977	SFQWKQVTTOBUNI-CRCLSJGQSA-N	242.684	-0.196	50	10	BBGE	
CCC[C@H]1CCOCC[C@]1(N)B(O)O	1956321953	NKEYUYJASCKOND-DTWKUNHWSA-N	201.075	-0.077	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(OCC(N)=O)C1	1958805951	XPQKPAROYAFOBY-ZETCQYMHSA-N	234.683	-0.284	50	10	BBGE	
C[C@H](CN(C)Cc1cnco1)C(=O)NN	1959178765	ROYMGSXZBGZDAH-SSDOTTSWSA-N	212.253	-0.268	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CC=CCCl)C[C@@H]12	1960156492	UDLFRBNZQAWPMO-HTQZYQBOSA-N	228.679	-0.014	50	10	BBGE	
CN(C)CCN1CCN(CCCl)C(=O)C1	1961455232	NBYWTQIMSMUDHN-UHFFFAOYSA-N	233.743	-0.069	50	10	BBGE	
CN1CCN(C(=O)NN)c2cccnc21	1961461823	PMRCYYHMASGXJY-UHFFFAOYSA-N	207.237	-0.079	50	10	BBGE	
CCON(CC)c1ccc(B(O)O)cn1	1961693399	ZPFHIMRYMMSGGU-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cocn1	1976741651	NBTHOTMTOHRPRG-QMMMGPOBSA-N	228.252	-0.889	50	10	BBGE	
CC1CC(C(=O)N[C@H](CB(O)O)C(=O)O)C1	1976979916	RBGMJCNVENMYIT-KPGICGJXSA-N	229.041	-0.925	50	10	BBGE	
COC1CC2(C1)CN(C[C@@H](C)C(=O)NN)C2	1977522504	KDOFNOQMAMVEAZ-MRVPVSSYSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C[S@@](C)=O)C1	1987038385	RUTDZQVRMSWHES-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
N#CCC1CN(CCC(F)(F)C(=O)NN)C1	1987052376	NYCNDIAHTNFANY-UHFFFAOYSA-N	232.234	-0.153	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@H](C)CC1	1990775763	ZYZFRLIULSZRTF-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CCCO1	1991337078	LRWKUVVIXKCEBS-BDAKNGLRSA-N	225.053	-0.618	50	10	BBGE	
CN(C)C[C@@](C)(O)CNC(=O)C=CC(=O)Cl	1991650866	FUEJOYTURBDVQG-JTQLQIEISA-N	248.710	-0.263	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)[C@H]2COC[C@@H]12	1991651672	VEMTZXZVUNLYBO-RNJXMRFFSA-N	244.678	-0.508	50	10	BBGE	
CCn1nnnc1CNC(=O)/C=C/C(=O)Cl	1991714927	MZOVOHHYICLPNY-ONEGZZNKSA-N	243.654	-0.369	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	1992167818	QERXRTWLVIMXAB-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
O=C(CCCl)NC(=O)NCc1nnc(O)o1	1993412908	QQIZGRBFWMOIBL-UHFFFAOYSA-N	248.626	-0.270	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C[C@H](C)O)C[C@@H](C)O	1997349110	AQDNYIAAXCOWTR-AEJSXWLSSA-N	247.339	-0.936	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]1c1ncon1	1997769463	ZWLXLPSOZBRGBH-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
CC(C)(CN1C[C@H](O)C2(CCC2)C1)C(=O)NN	2000815581	WAOVOCOKOTVNLC-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@@H]1CO	2000984613	QWBHCVYQEZHDTI-ZNSHCXBVSA-N	241.335	-0.437	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@H]2CC[C@H]21	2002917917	XCZSDNQVUMQIQC-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	2003754792	PTBSPSHZUDKIST-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccnc(N2CC3CC(C3)C2)c1B(O)O	2004920176	HPUDBWSYNYBYAE-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ccncc2=O)C1	2010832908	MKCOOEHTDUKDSH-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
CN1CCCC12CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2013602695	UOCKZSUQDGBPLC-UWVGGRQHSA-N	238.335	-0.608	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCOCC12CCC2	2015677739	ZOPGTELKNOXEKX-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
CC12CCC(CNC(=O)C(=O)NN)(CC1)CO2	2015978014	MYGQCGFYYKVOTN-UHFFFAOYSA-N	241.291	-0.558	50	10	BBGE	
C=C(CN(C)[C@@H]1C2CCN(CC2)[C@H]1C)B(O)O	2021162357	FUVZTBFBDBYYNS-JQWIXIFHSA-N	238.140	-0.031	50	10	BBGE	
O=c1c(B(O)O)cccn1CC(F)=C1CCC1	2023189349	BAZULIPWMPLQOD-UHFFFAOYSA-N	237.039	-0.064	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C1(C)COC1	2026729068	ILZJSZMGGRNLGB-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2ccncn2)c1	2029097293	DVMMSGDEEZELNX-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
OB(O)c1cnccc1N1CCOCC12CCC2	2052491022	HQJLOKZATJUBKV-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)cc1F	2060116483	DLQSGFFUXXZFNH-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
COc1cc(OC(F)F)c(C#N)cc1B(O)O	2060301892	FZCMMGFAUMBOFU-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@H]1CCNC1	2210076044	NITWWIXBEFGOED-YFKPBYRVSA-N	225.264	-0.293	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CC3)CO2)s1	2211081773	XCONGAAKTJMSAR-UHFFFAOYSA-N	239.105	-0.045	50	10	BBGE	
CN(C)CCCSc1cc(B(O)O)ccn1	2212599533	KHOWMGLNXUVXBE-UHFFFAOYSA-N	240.137	-0.195	50	10	BBGE	
CSC[C@@H](C)N(C)c1cc(B(O)O)ccn1	2212601478	OOCSVUJRGZUGLV-MRVPVSSYSA-N	240.137	-0.051	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COC[C@H]1COCCO1	2215771042	FUGDLWWECISXDA-OPRDCNLKSA-N	244.291	-0.566	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@H]1CC[C@@H]1C(=O)NN	2215771534	IOTFXLTWAFQKFE-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@@H]1CC[C@H]1C(=O)NN	2215773258	SEBSTQJYTSODDW-DTWKUNHWSA-N	242.323	-0.978	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@]2(CO)C1	2215773921	UXQMAHLPGTWURE-FYLLDIAZSA-N	239.319	-0.683	50	10	BBGE	
Cc1cnn(CC2(C(=O)NN)CCC2)c(=O)c1	2216493290	CHBVWCVUAYOGND-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
CN(C)[C@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216535098	WGCALFWNVKYFMP-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC[C@H](Oc1ccc(B(O)O)cn1)[C@H](N)CC	2217191279	IWOMNFVHINININ-ZJUUUORDSA-N	238.096	-0.344	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCCC[C@H]21	2217328636	CDWGTWRCHKTLSX-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCC[C@@H]1C2	2217409411	RTDBOTCZYAQJLC-KCJUWKMLSA-N	234.064	-0.887	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CNCC2(CC2)C1	2223637670	RDYKKDJUZCNXSG-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(N[C@H](C)c2nc[nH]n2)cc1B(O)O	2223641886	XCUXGOSVYHIRPF-SSDOTTSWSA-N	247.067	-0.639	50	10	BBGE	
CC1(C)CC[C@H](CNc2ccc(B(O)O)cn2)N1	2223644123	FCGWEPJAOZFUOU-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
N[C@]12CCC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223645756	YWWGNJJDNTVVMF-CABZTGNLSA-N	247.107	-0.921	50	10	BBGE	
O=S(=O)(N[C@H]1CCOC1)N1CC(Cl)C1	2241337980	DRQOMBOOABMZDS-ZETCQYMHSA-N	240.712	-0.467	50	10	BBGE	
Cc1nc(C)c([C@](C)(N)B(O)O)s1	2241650335	LQLGEIOXJOUPHH-ZETCQYMHSA-N	200.072	-0.054	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@@H]2C[C@H]21	2243358332	FNSSXLAVCQWQLV-HTRCEHHLSA-N	237.089	-0.338	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243363321	FARNHQDIKCVEBL-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
CC[C@H](CCCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243392604	VIHMPNSNHMKGQY-VGMNWLOBSA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccoc1B(O)O	2243400364	ZXLDEOLIMVYXER-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2243404046	IGGSMQIXKBXMHL-CIUDSAMLSA-N	226.085	-0.907	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2243410590	DTIOKPSPOAXWSF-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
O=C(NCCSCCCO)C1(B(O)O)CC1	2243411092	NRIRSWVJGHMSDJ-UHFFFAOYSA-N	247.125	-0.775	50	10	BBGE	
CNCCN(C(=O)C1(B(O)O)CC1)C(C)C	2243411188	PMXLGOFUUYURLP-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
C#CCN(CC1CC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2243415465	VKZVTGFNPSMNQP-ZJUUUORDSA-N	221.065	-0.279	50	10	BBGE	
O=C(NCCC1(CO)CC1)[C@H]1C[C@H]1B(O)O	2243427180	RKACUZRCAOBUHA-JGVFFNPUSA-N	227.069	-0.872	50	10	BBGE	
O=C(Nc1ncccc1O)[C@H]1C[C@@H]1B(O)O	2243758890	MYTLFUIEKQTNSI-WDSKDSINSA-N	222.009	-0.411	50	10	BBGE	
C[C@H]1CCN[C@@H]1CSCCOCC(=O)NN	2245081217	KSKOICMLHPYCIJ-DTWKUNHWSA-N	247.364	-0.276	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2246748741	NXTVMTYRMRTSBC-HOTUBEGUSA-N	241.335	-0.152	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1[C@@H](C)[C@H]1C	2247732238	DMSWFXFHJOMBJQ-HZJKJOLQSA-N	237.064	-0.348	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)s2)C1	2247740428	KKZDJNIJXNZMGI-OCAPTIKFSA-N	249.100	-0.431	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@H]2CCCCC[C@H]21	2247747828	SUHCXUDHTGSEEI-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)C1(B(O)O)CC1	2247750656	MMVDLFHDSLQTJV-RNJXMRFFSA-N	245.059	-0.781	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1B(O)O	2247752768	VLGHBYTZRLSDJD-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
CCc1ncncc1NC(=O)C1(B(O)O)CC1	2247753566	ATQGLPYLRGWWHM-UHFFFAOYSA-N	235.052	-0.016	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2247780825	FPEWTUDGRZEZEN-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(C1CC1)C1CNC1	2247792802	UXNSGQQRRNLFBE-UHFFFAOYSA-N	238.096	-0.798	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCC12CNC2	2247800729	RZQJEMDXMCONQQ-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H](B(O)O)C2)ncn1	2247810403	XDTDXYALTIWXDI-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
O=C(NC[C@]12CC[C@H]1CNC2)C1(B(O)O)CC1	2247873607	KIEIPPSXJRUIKO-WCBMZHEXSA-N	238.096	-0.891	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)[C@H]1CC[C@@H](O)CC1	2247887483	OQMSUTIAPNULMX-JXUBOQSCSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)C1CC(B(O)O)C1	2247893719	WYQCVJLXCDKFCZ-XNWIYYODSA-N	242.128	-0.304	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1B(O)O	2247897688	WCSCOIWGWRFSEF-JLIMGVALSA-N	241.096	-0.626	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247898551	FMBDJNFYTYPVSP-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248575177	YNNLOGPELDMNIR-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
CCC[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248584865	CLVOVPCHSGDKCX-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
C=C1CC(NC(=O)C2(B(O)O)CC2)(C(=O)O)C1	2248586710	GBDZRIBVHLJYIA-UHFFFAOYSA-N	239.036	-0.717	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cocc1B(O)O	2249406898	JGGJAAJHGQPQEB-JIGDXULJSA-N	237.064	-0.409	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1cocc1B(O)O	2249408334	QMHKANAORSGAQO-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C#CCCCCNC(=O)c1cc(B(O)O)co1	2249418447	UHLNGPKSVZJORI-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249429520	WIJAEHGUVNIEFM-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
CC1(OCc2ccc(B(O)O)cc2F)COC1	2250789421	KWSRMOQNRJCTIP-UHFFFAOYSA-N	240.039	-0.189	50	10	BBGE	
N#CCCN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2255671252	OPPLFRWOELLZBV-UHFFFAOYSA-N	247.063	-0.787	50	10	BBGE	
CCOc1cc(CNC(=O)C#CB(O)O)ccn1	2255673677	RWSBYUNTRPRDHE-UHFFFAOYSA-N	248.047	-0.888	50	10	BBGE	
NCc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2255766386	CHDOAJAIBIPRGN-QWRGUYRKSA-N	248.091	-0.376	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2ccnc2)C1)[C@@H]1C[C@H]1B(O)O	2255769765	MMMNGZPCZRODIK-ZYUZMQFOSA-N	249.079	-0.434	50	10	BBGE	
CCC1CN(C(=O)c2ncc(B(O)O)cc2C)C1	2257493646	FWNLALORVQDISO-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]2CC[C@@H]21	2258133458	OWHDNBOVHSTALH-KWQFWETISA-N	249.075	-0.026	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]3NCC[C@@H]32)CC1	2258498880	DVPOIHCULSUTID-GMTAPVOTSA-N	249.314	-0.139	50	10	BBGE	
C#C[C@]12C[C@H](CCN1c1ncccc1B(O)O)C2	2260232681	BRXIQSWAGLMPMU-GSJFWJNXSA-N	242.087	-0.247	50	10	BBGE	
Cc1cnc(NC23COCC(C2)C3)cc1B(O)O	2260332321	WJXFKUKVOWZOJR-UHFFFAOYSA-N	248.091	-0.339	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	2298004442	GAWFNHVCGMKDLJ-PORUNHMFSA-N	239.319	-0.542	50	10	BBGE	
CN(C[C@H]1OCC[C@H]1F)C(=O)[C@@H]1C[C@H]1B(O)O	2298370380	XODRLKFXLUBCGR-FNCVBFRFSA-N	245.059	-0.565	50	10	BBGE	
C[C@H]1C[C@]1(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463553	KNTUKLDNZIEGEW-MPXCPUAZSA-N	241.052	-0.924	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCN2CCOCC2)C1	2303134307	PRMXUDOSHNRCNF-LLVKDONJSA-N	242.128	-0.743	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2COCCCO2)C1	2303156801	FHAYTIAJYVDEDF-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
OB(O)c1cc(=NCc2ccoc2)[nH]cc1F	2303835093	QQNFLDZTTMAHRN-UHFFFAOYSA-N	236.011	-0.473	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@@H]3C[C@H]2CO3)nc1	2312740164	URFCDAGXDYAGIS-GDPRMGEGSA-N	248.091	-0.259	50	10	BBGE	
CCCN(CCO)c1ccc(B(O)O)cc1C#N	2317151411	QMSZNTPGQUXKKX-UHFFFAOYSA-N	248.091	-0.553	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1O[C@H]2C=C[C@H]1C2	2317167335	GOICHVNGSAXWFJ-QWRGUYRKSA-N	242.043	-0.313	50	10	BBGE	
OB(O)c1cc(F)cnc1OCc1ccncc1	2317844726	ZPMRCHYTQSZEJT-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)NNC(N)=S	47098277	XBCHTASZRVCHKI-CRCLSJGQSA-N	202.283	-0.310	50	10	BBGE	
CC1CCC(CNC(=O)C(=O)NN)CC1	63151390	SJCQCFNIFFBTJS-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
CC(C)[C@H](Sc1ncn[nH]1)C(=O)NN	82471851	KQEFBWGOKZIURD-YFKPBYRVSA-N	215.282	-0.089	50	10	BBGE	
CNC(=O)NC(=O)CI	82880091	MRFPAAKTNGATLF-UHFFFAOYSA-N	242.016	-0.123	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1nncn1N	86314051	KICQZXRWMQGOFM-RFZPGFLSSA-N	230.297	-0.902	50	10	BBGE	
CCCn1ccn(CCCC(=O)NN)c1=O	87667114	ULSRFUHOWPZDDK-UHFFFAOYSA-N	226.280	-0.170	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN(C2CC2)CC1	93072234	BXKJWEWVPPNOOR-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	110589897	YTPZQIMPHOEMSZ-RKDXNWHRSA-N	242.323	-0.659	50	10	BBGE	
Nc1nc(N)c2nc(CCl)nnc2n1	136275359	ZEHZNTJPAPQMPI-UHFFFAOYSA-N	211.616	-0.282	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1	149126683	PCKNGQSZTCUCNC-RNFRBKRXSA-N	213.237	-0.209	50	10	BBGE	
COCCCOc1ccc(B(O)O)cc1F	170013694	ZPJCVOQLOKUOEP-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
Cc1cnn(Cc2cccc(B(O)O)c2)c1	203173152	DPUYCQUXORWKBV-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C[C@@H](Cl)C#N	228520724	FMIPDXUXNQMEPC-YUMQZZPRSA-N	231.683	-0.436	50	10	BBGE	
NCc1cc(C(F)(F)F)c(B(O)O)cn1	238634859	NZHHCJBJJYXING-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
CC[C@H]1CN([C@H](C)CC(=O)NN)CCO1	251882753	VIPYOFWEPWRNGD-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(=O)NC[C@@H]1CCCO1)C(=O)CCl	258904407	GYJWNILWYYMFNJ-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@H](O)C1	299910997	MMVWAWUOPUKDFY-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
Nc1cc2c(N)csc2cc1B(O)O	306653687	VIFFMZIDXYPJKN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C(CBr)NCc1n[nH]c(=O)[nH]1	307310265	FPQGONGICYATMI-UHFFFAOYSA-N	235.041	-0.891	50	10	BBGE	
COC[C@@H](O)CNc1nc(N)nc(CCl)n1	309317973	OJFWSQYDJVVSGJ-YFKPBYRVSA-N	247.686	-0.388	50	10	BBGE	
CCCN(CCCCCC(=O)NN)CC(N)=O	310504859	KDSHZJKECYEMTO-UHFFFAOYSA-N	244.339	-0.266	50	10	BBGE	
C[C@@H](Br)C(=O)NCCn1ncnn1	379800744	MKSSNFXEBCFYCF-RXMQYKEDSA-N	248.084	-0.427	50	10	BBGE	
CCN(C[C@H](C)OC)[C@H](C)C(=O)NN	383037058	IHKPIMDJCZMHIA-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
CCCOC[C@@H](O)C(C)=NNC(N)=O	389050672	WIQGSJGWLGPTEN-SSDOTTSWSA-N	203.242	-0.182	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@H](N)C1	395795083	BBGZKQRCOHOUMW-IUCAKERBSA-N	228.340	-0.186	50	10	BBGE	
Nc1sc2cccc(C=O)c2c1B(O)O	396260800	VRGSWBMEKWOUFH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Cn1nccc1C(=O)Nc1ccc(B(O)O)cc1	405062582	RFMMYWWIBSPXKZ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCO2)cc1	686728881	ISWNJZWRNKNBSH-JTQLQIEISA-N	208.022	-0.118	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H](C)O1	689162418	XKCHHAUUDYCTCG-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	690064230	ADCYYMRXZDVVBO-GHMZBOCLSA-N	249.075	-0.270	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	693991887	MJZGSUJLJFZIJY-GUBZILKMSA-N	238.291	-0.631	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@H](CO)C1	695059865	JMQAPGGPXVUQLV-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
Cn1cc(/C=C/C(=O)NNC(N)=O)cn1	700852679	LVNBDBWQQYTPSF-NSCUHMNNSA-N	209.209	-0.867	50	10	BBGE	
CCC[C@@H](Sc1nnnn1CC)C(=O)NN	706551919	FUWWEPFCRZBZGV-ZCFIWIBFSA-N	244.324	-0.056	50	10	BBGE	
COCCOC1CN([C@@H](C)CC(=O)NN)C1	707347573	UCUBCJWGKQBJTJ-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@@H]1CO	708124430	NROLQOVRDZZVRI-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2COC[C@H]2C1	718240564	GPVYUEGHPYFVKU-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCS[C@H](CO)C1	720058849	BYGLXJPWDUYAKX-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCS[C@@H](CCO)C1	720086228	GXYWJZQZPKQSCO-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
CNCCSCc1nsc(C(=O)NN)n1	724321421	FLCOZLDSQCUFOU-UHFFFAOYSA-N	247.349	-0.406	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC12CCC2)c1cnn[nH]1	759787704	VGNSLLHSVKLCKG-LURJTMIESA-N	235.247	-0.244	50	10	BBGE	
O=C(NNc1ccccn1)c1nc[nH]n1	777472389	FSUBOFAYVADBQW-UHFFFAOYSA-N	204.193	-0.043	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)[C@H]1CCCS1	819667635	VBBQOWGMBYKRCU-SSDOTTSWSA-N	244.316	-0.056	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2CC1(CO)C2	822169642	BAUIYTQGKGVGDF-NBBOBHDQSA-N	241.335	-0.152	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1cnn[nH]1	843790592	KDJMUZVHBNCHSG-UHFFFAOYSA-N	213.172	-0.932	50	10	BBGE	
C[C@H](C(=O)NN(C)C[C@@H](C)O)c1ccnn1C	910145601	CFVIUAKNKUTRII-BDAKNGLRSA-N	240.307	-0.133	50	10	BBGE	
Cn1ccc(NNC(=O)CCS(C)(=O)=O)n1	1558977658	QPUDKTSORKARTQ-UHFFFAOYSA-N	246.292	-0.702	50	10	BBGE	
Cc1ncc(C(=O)NNC(=O)c2ncccn2)[nH]1	1643041660	MMVAGWCGSMFPSY-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
N[C@H](CNC[C@H]1C[C@@H]1Br)C(=O)O	1881362683	LCALLYKQZLKXSM-NGJCXOISSA-N	237.097	-0.229	50	10	BBGE	
O=C1NC[C@]2(CCN(CCCl)C2)N1	1882007056	JBZYAXZPVHUALB-QMMMGPOBSA-N	203.673	-0.018	50	10	BBGE	
C[C@]1(F)C[C@H](C(=O)NNC(N)=S)C1	1883758589	WUIKALNAYOLECB-VOVMAIODSA-N	205.258	-0.011	50	10	BBGE	
Cn1cc(S(=O)(=O)NOCCCl)cn1	1888307346	APSDLPOXWXWBHL-UHFFFAOYSA-N	239.684	-0.131	50	10	BBGE	
CN1C(=O)C[C@H](NC[C@H]2C[C@H]2Cl)C1=O	1893127859	KPEAJBNKSBPPCH-QYNIQEEDSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CF)Nc1ccc(C=O)c(B(O)O)c1	1901238422	YLLLQJICVBCIJA-SSDOTTSWSA-N	225.028	-0.051	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2csnn2)C1	1902518396	SDCGHTKRPOEHSB-MRVPVSSYSA-N	241.081	-0.383	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCSC1	1902725147	HHZHSFKLOHGAHQ-UHFFFAOYSA-N	237.089	-0.487	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cc(B(O)O)cs1	1904906096	CRQPPCITLMLABV-LJGSYFOKSA-N	243.068	-0.342	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)N1C[C@H]2CC[C@H]2C1	1905583864	KRUHVGDWEDSCSV-KXUCPTDWSA-N	238.096	-0.003	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1910399576	AONHKZXFZFQREJ-MMWGEVLESA-N	241.335	-0.296	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)S(=O)(=O)C1CC1	1913800308	FSANRDHQOCJYBL-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CCN(CCSC)[C@H](COC)C(=O)NN	1917271084	JEGNLVFIWUUKNP-MRVPVSSYSA-N	235.353	-0.324	50	10	BBGE	
NNC(=O)C(=O)NC[C@]1(C2CC2)CCCO1	1922743223	IPKDHVISMLQMDB-JTQLQIEISA-N	227.264	-0.948	50	10	BBGE	
NNC(=O)N1CCC2(CCC(=O)N2)CC1	1928141497	XAPZUGROEPWZOW-UHFFFAOYSA-N	212.253	-0.686	50	10	BBGE	
C[C@H]1COC[C@@H]1OCCOCC(=O)NN	1928178228	DJYJZIMOJFDVCX-YUMQZZPRSA-N	218.253	-0.956	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)[C@H](N(C)C)C1	1928376634	HWISEICOCBCDGZ-DJLDLDEBSA-N	234.727	-0.005	50	10	BBGE	
CON(Cc1ccccc1)C(=O)C(=O)NN	1928703962	JFFQSATVEGIXDJ-UHFFFAOYSA-N	223.232	-0.434	50	10	BBGE	
O=C(Cc1ccsc1)NNCCO	1929833453	JUEVWBFCNFDNJL-UHFFFAOYSA-N	200.263	-0.096	50	10	BBGE	
OC[C@@]12CO[C@@H](CN1C[C@@H](O)CCl)C2	1931127732	FRTPWAPTYFUUQL-YIZRAAEISA-N	221.684	-0.578	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2CCNC2=O)C1=O	1931726162	QEIPOERPUDYFDC-HZGVNTEJSA-N	216.668	-0.038	50	10	BBGE	
COc1cscc1C(=O)NCB(O)O	1934840398	VNOPDMNSEKXBPI-UHFFFAOYSA-N	215.039	-0.502	50	10	BBGE	
COC1(CCl)CN(Cc2nnn(C)n2)C1	1935359602	WETUWCZBSMWJPY-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
CC(C)(C)OCCOCCOCC(=O)NN	1936531220	DOESGBUCONXORP-UHFFFAOYSA-N	234.296	-0.175	50	10	BBGE	
CN(C(=O)Cn1cnnc1)[C@H]1COC[C@H]1Cl	1937145310	JLWBTXRPBDGCRS-SFYZADRCSA-N	244.682	-0.257	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCC[C@@H]1NC(=O)NC1=O	1937750844	BLFJTLBCTJOYKV-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1COCCCO1	1948415361	DQAHMIUCIRZPDL-IVZWLZJFSA-N	244.291	-0.566	50	10	BBGE	
[C-]#[N+]C[C@@H](CS(C)(=O)=O)NC(C)=O	1951438088	IRKCRJUCKOVKHB-ZETCQYMHSA-N	204.251	-0.545	50	10	BBGE	
COC(=O)C1CN(C[C@@H](O)CCl)C1	1954204421	VIBKESTUOBRPES-ZETCQYMHSA-N	207.657	-0.309	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@H](O)C1	1960249316	URTJBLANRYTVNV-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2cnn(C)c2C1	1961009190	LROXREHVTAIYLQ-LURJTMIESA-N	209.253	-0.886	50	10	BBGE	
CO[C@@H]1CC(=O)N(CCCC(=O)NN)C1	1961011340	HGNCBQGMOQCUTA-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
Cc1nc(Cl)ncc1C(=O)NCB(O)O	1961178255	NSOHDBDGGATHSB-UHFFFAOYSA-N	229.432	-0.820	50	10	BBGE	
O=C1OC[C@@H]2CN(C[C@H](O)CCl)CCN12	1961323228	NWOMLKJJHKMHEV-JGVFFNPUSA-N	234.683	-0.278	50	10	BBGE	
CC1CC(Oc2ccc(B(O)O)cn2)C1	1961711885	HUPBYDXZGMLHMY-UHFFFAOYSA-N	207.038	-0.061	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(F)(CO)C1	1961737419	PIEXRNMMWVMCKP-SSDOTTSWSA-N	219.260	-0.839	50	10	BBGE	
C[C@@H]1C[C@@H](CCn2cc(B(O)O)cn2)CO1	1976356507	GYFJYHJHORQHHJ-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	1979249007	FHZORCVNFZUOPZ-NGJCXOISSA-N	233.218	-0.474	50	10	BBGE	
CCC[C@H](C)C(=O)N=c1nc(B(O)O)[nH]s1	1979354445	SUHSKCFSBQLHET-YFKPBYRVSA-N	243.097	-0.986	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@H]2C)c1B(O)O	1981447580	PORSGMRJXUAOFA-POYBYMJQSA-N	221.069	-0.691	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Sc1ncc(B(O)O)cn1	1981454084	CTWZXKNZVOYXOP-XPUUQOCRSA-N	240.093	-0.574	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]2C1	1981468841	JALOAZCJBMJKMV-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
C#C[C@H](CCl)N=c1ccc2nnc(O)n2[nH]1	1983015225	FNIVJGVUSZOSEG-ZCFIWIBFSA-N	237.650	-0.096	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC(CF)CF)O1	1985997643	QBQYRKFXYRGYST-XPUUQOCRSA-N	238.234	-0.152	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2CCC(=O)NN	1987519048	RVAGNPIDYLNTCZ-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCSCCC1=O	1989923232	WFKSEYWAPHSNOS-SFYZADRCSA-N	243.332	-0.422	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCC=CB(O)O	1991325891	APUWSKDNWARGEP-VGMNWLOBSA-N	227.069	-0.516	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21)C(=O)NN	1997188718	LNHBEAORDNTCGK-JBDRJPRFSA-N	237.303	-0.131	50	10	BBGE	
O=C(CC1CCCC1)N[C@@H](CB(O)O)C(=O)O	1998131327	UDAKPJDZAFILLI-QMMMGPOBSA-N	243.068	-0.391	50	10	BBGE	
Cn1nccc1CN(CCC(=O)NN)C1CC1	2003807064	ZYHONAPEXHVKQH-UHFFFAOYSA-N	237.307	-0.236	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1C(=O)NC2	2004791678	KFLKVAQMZXSJNL-YIZRAAEISA-N	240.307	-0.892	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1[C@@H]2COC[C@@H]12	2006197109	FMMPDMRUSIYOQR-UUTMEEIUSA-N	241.335	-0.175	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975545	QRLHCZDCXQAHOR-BIIVOSGPSA-N	249.261	-0.543	50	10	BBGE	
CCCn1ncc(B(O)O)c1OCC1CC1	2060005715	QBYIYDSJZLTRFB-UHFFFAOYSA-N	224.069	-0.238	50	10	BBGE	
N#Cc1cc(OC(F)F)cc(B(O)O)c1F	2060261487	UYKHDOXXGLRYJB-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1C=O	2060275974	ITKUIFSEDUDWST-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
NCCNCCSC[C@H]1CC[C@@H]1C(=O)NN	2211837957	ANRDBLDGWMGWSV-BDAKNGLRSA-N	246.380	-0.716	50	10	BBGE	
NNC(=O)C1(CN2CCOCCO2)CCC1	2212260678	FEVZKGLNBPUYOS-UHFFFAOYSA-N	229.280	-0.590	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2C[C@]2(F)C1	2212308347	LJILHDMVHDGVEE-WPRPVWTQSA-N	231.271	-0.573	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](CO)CC1CC1	2213909958	CPULQNBYMYKAPW-HBNTYKKESA-N	241.335	-0.295	50	10	BBGE	
CN(C)C[C@H]1CCN1CC1(C(=O)NN)CCC1	2216534914	TVLFBSLZINNRKD-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CCOC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217180454	TUXNDLWACHSCHA-VIFPVBQESA-N	238.096	-0.093	50	10	BBGE	
Cc1cnc(N(C)C[C@@H](C)C#N)cc1B(O)O	2217183237	KDLDKOORIXIMKV-QMMMGPOBSA-N	233.080	-0.334	50	10	BBGE	
CNC[C@H](C)CNc1nccc(B(O)O)c1F	2217183265	GOWXIDLPVUBUCR-ZETCQYMHSA-N	241.075	-0.832	50	10	BBGE	
C[C@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1=O	2220062288	GQCPRNJMSVEOEC-QMMMGPOBSA-N	247.059	-0.739	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)CCN1	2220069263	DRJKGJBTCBLGDU-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
Cc1cnc(O[C@H]2CNCC23CC3)cc1B(O)O	2223631681	ZKXZZZJMHDDMLA-JTQLQIEISA-N	248.091	-0.799	50	10	BBGE	
OB(O)c1ccnc(NCc2ccncn2)c1F	2223641311	SNXBDHSAKYVCPF-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
Cc1cnc(NC[C@@H](C)N2CCC2)cc1B(O)O	2223644844	OMBUFHOUOSLRSN-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@]23CCCO3)nc1	2223666718	KZEUHNWSXBLWAS-GXSJLCMTSA-N	249.079	-0.720	50	10	BBGE	
C[C@H](CF)N(C)CC(F)(F)C(=O)NN	2241720156	NREMOGPNUVDNLQ-RXMQYKEDSA-N	213.203	-0.099	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1cscc1B(O)O	2243346817	DECXTZMQHNPEKK-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
O=C(N1C[C@H]2COC[C@H]2C1)C1(B(O)O)CC1	2243365581	ONSIZBXQPZJKOM-OCAPTIKFSA-N	225.053	-0.902	50	10	BBGE	
C[C@H]1OCCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243365840	SXQAYUFSVHGCOU-HTQZYQBOSA-N	227.069	-0.371	50	10	BBGE	
COC[C@@]1(C)CCN1C(=O)C1(B(O)O)CC1	2243370658	ZZLVBWWCNPFBBF-SECBINFHSA-N	227.069	-0.369	50	10	BBGE	
O=C(N1C[C@H]2CSC[C@H]2C1)C1(B(O)O)CC1	2243397407	AMDGHZBRCASRME-OCAPTIKFSA-N	241.121	-0.185	50	10	BBGE	
Cc1cc(C(=O)N(O)C(C)C)sc1B(O)O	2243397631	GCSGYHZIDWGSQD-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
C[C@@]12CSC[C@@H]1CN(C(=O)C#CB(O)O)C2	2243401399	QMMXOEDPBHVNDP-WCBMZHEXSA-N	239.105	-0.787	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243426316	GMIUTSMDTLLTSZ-XLPZGREQSA-N	229.085	-0.628	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243426818	MIWHRDKMMSZQSI-CIUDSAMLSA-N	227.069	-0.921	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243427259	SJWOKTQXFIHRQT-XGEHTFHBSA-N	227.069	-0.921	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(Cl)cn1	2243685664	ZLQHFDYPNNXGON-UHFFFAOYSA-N	238.439	-0.520	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]2C1(C)C	2243801372	KXKOIKFWVPEYMD-IWSPIJDZSA-N	227.308	-0.278	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)co1	2244205791	NNCWACSGYBNTTL-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
Cc1nnc(NC(=O)C2(B(O)O)CC2)n1C	2245018344	OPUPZXYABRSBPY-UHFFFAOYSA-N	224.029	-0.931	50	10	BBGE	
O=C(Nc1ncco1)c1cc(B(O)O)co1	2245939106	CBVOGYLBKXHNRX-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2O[C@H]3CC[C@H]2C3)O1	2247074535	QLIGLPOINDNMPI-AXTSPUMRSA-N	241.291	-0.308	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1occc1B(O)O	2247750301	HFLYNFBFZFWKDM-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
CC1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2247758021	KKJGOYOEQVCEKJ-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1CN2)[C@H]1C[C@@H](B(O)O)C1	2247785615	NUJRCFHLYCJZGS-OEZYJKACSA-N	238.096	-0.894	50	10	BBGE	
COCCC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247803836	CZMPEQTUJFCIOL-BDAKNGLRSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2nc[nH]c2C1	2247809655	QJNQRVCHDFGIFF-RNFRBKRXSA-N	235.052	-0.843	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2247847351	WCYHFZRHHVOCHZ-VIFPVBQESA-N	237.064	-0.828	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]1	2247858298	CKVBKOSMZAYSQY-ZKCHVHJHSA-N	237.068	-0.413	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C1(C)CC1	2247869118	MDVXSKFIAJQZET-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
CC1(C)CNCCN(C(=O)C2(B(O)O)CC2)C1	2247872684	XFYBIHCFXNQZET-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
Cc1cc(C(=O)N2CC(F)C2)ccc1B(O)O	2247873361	JAVXGYZBBOESBP-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
CC(C)(CO)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247887510	OXYYDOOFNUFVKG-KYZUINATSA-N	243.112	-0.236	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247888020	UZUFNMGJHUYVDR-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
O=C1C[C@H](C(F)F)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247899247	LSSVCFXIBVYXTA-JKUQZMGJSA-N	247.006	-0.511	50	10	BBGE	
C[C@@H](N)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902310	DZHDBTPRNKARLK-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)C1CC(B(O)O)C1	2247909999	LTXPSJFVGBHHAC-NWGYLPEXSA-N	242.128	-0.175	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2248585610	OLBGQUPKRIJAPT-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248589695	SYUWLHMFJDBHOS-XLPZGREQSA-N	243.068	-0.535	50	10	BBGE	
CC[C@@H](NC(=O)c1cocc1B(O)O)C(F)F	2249424160	PCROWBNXQHSSRU-SSDOTTSWSA-N	247.006	-0.267	50	10	BBGE	
CCOC[C@H](C)NC(=O)c1cocc1B(O)O	2249433030	GVKGRZIVJPJRNY-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
COCC1(CC(=O)NCCC#CB(O)O)CC1	2250000022	CSCBVQZSSWRADW-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NCCC#CB(O)O	2250007964	GOEKPWUYFOYGRJ-SECBINFHSA-N	241.096	-0.288	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1occc1B(O)O	2255491558	YSAQNSUCBKMSPS-CIUDSAMLSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@@H](C)[C@H]2C)n1	2255492659	OIXQSWMZRKJKIX-VXNVDRBHSA-N	248.091	-0.450	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1C	2255512211	WLSHWVGUEYYCMO-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c(B(O)O)c1	2255556440	PEWJXNUIXCYGJN-MBTKJCJQSA-N	246.075	-0.792	50	10	BBGE	
O=C(NCc1nccn1C1CC1)[C@H]1C[C@H]1B(O)O	2255571006	LKZYGJDONGSVLX-DTWKUNHWSA-N	249.079	-0.303	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	2255678158	AHBRPZZVAJQHSC-JMJZKYOTSA-N	249.075	-0.924	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1C	2255734399	AAJCBWJIQGJQAQ-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
Cc1cc(C(=O)NCC2[C@@H]3CC[C@@H]23)oc1B(O)O	2255742014	AAPOTHZPVSOROP-HTQZYQBOSA-N	249.075	-0.346	50	10	BBGE	
C=C(C)C(=O)N1CCc2cccc(B(O)O)c2C1	2256594876	DXGAMNKPRMLKQM-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H]2CC1=O	2298168315	YIUQBBJSSJJZCF-IMSYWVGJSA-N	237.303	-0.129	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2298224466	HYYGYIHFRMHGOW-CHKWXVPMSA-N	240.043	-0.918	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](CN)C1	2298376338	SKKBWXUBBXVLCT-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298377104	DQIQWUNKQVLYOM-ZYUZMQFOSA-N	240.112	-0.375	50	10	BBGE	
O=C(C[C@@H]1CCC1(F)F)NCCC#CB(O)O	2299038007	OXZTXZCBAKVBGI-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1Sc1nc[nH]n1	2301343018	GEFSVPHEBUETCH-UHFFFAOYSA-N	246.060	-0.493	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	2302212400	ZFVXAFAYOSJTEK-LPEHRKFASA-N	239.319	-0.134	50	10	BBGE	
CC[C@](C)(CN1CC[C@](F)(CO)C1)C(=O)NN	2303420908	CTHBAKHSPDDGNZ-GHMZBOCLSA-N	247.314	-0.201	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1CC1(C(=O)NN)CC1	2304308997	GFSVKTSVEURATO-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2312848027	GOLNEIAXPZAQRD-CCJOIDDDSA-N	247.103	-0.105	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CC[C@H]1C2	2312857091	PLCYPEYOXIVTGB-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1[C@H]2COC[C@H]21	2317164427	ZNAFEEGNTQWFPV-PEGIJTEDSA-N	244.059	-0.705	50	10	BBGE	
CN(Cc1ncc2ccccn12)C(=O)C(=O)NN	2327542340	MWFCROUTPVCKTM-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
CC(C)C[C@@H](C)N(C)C(=O)C(=O)NN	42597249	VDNKRCCJJHFNGT-SSDOTTSWSA-N	201.270	-0.131	50	10	BBGE	
O=C(CCl)NC(=O)N1CCS(=O)CC1	49693226	KVXJPAXTXCQVJD-UHFFFAOYSA-N	238.696	-0.474	50	10	BBGE	
C[C@H](Cc1ccc(F)cc1)NC(=O)C(=O)NN	62053656	MXQQLTYIWYNVNL-SSDOTTSWSA-N	239.250	-0.137	50	10	BBGE	
CCn1cc(OC(F)(F)C(=O)NN)cn1	162067703	YBIKOUJWQLLXNO-UHFFFAOYSA-N	220.179	-0.136	50	10	BBGE	
C[C@H](NC(=O)NN)C(=O)NC(C)(C)C	162623601	SCZQILUCWMDDGH-YFKPBYRVSA-N	202.258	-0.538	50	10	BBGE	
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)B(O)O	207106930	NSYYAAGUDRGYOR-WPRPVWTQSA-N	236.080	-0.927	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	211886517	FTJMCSNSKZGHMV-YFKPBYRVSA-N	228.212	-0.483	50	10	BBGE	
COC(=O)N[C@H]1CCN([C@@H](C)CC(=O)NN)C1	228340591	ODMDATLKJMMREY-YUMQZZPRSA-N	244.295	-0.815	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN([C@@H](C)CC(=O)NN)C1	230921151	IDMBVYHUJTZNEJ-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](OCCc1ccccn1)C(=O)NN	232417548	XEXSTFOWHQABKJ-SNVBAGLBSA-N	239.275	-0.354	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1C	232420268	VUHZICZVVGPJPE-XHNCKOQMSA-N	215.297	-0.421	50	10	BBGE	
COC(=O)Cc1ccc(F)c(B(O)O)c1	238391673	SZLUHTYVOZFRIL-UHFFFAOYSA-N	211.985	-0.779	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CSC(=O)N1	297081129	MAAUZLASMAVHST-ZCFIWIBFSA-N	233.293	-0.579	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1CCO	308864113	KOHZTSKWEUYSBW-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1CCCC(=O)NN	309778876	KCMKNRGVKXLTRF-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC(C)SCCNC(=O)C(=O)NN	379363176	FSVAXJLJAWLYSO-UHFFFAOYSA-N	205.283	-0.766	50	10	BBGE	
CC(C)(CN1CCSC[C@H]1CO)C(=O)NN	388200380	RYRYQARFIZWUEF-MRVPVSSYSA-N	247.364	-0.588	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)NN)C[C@@H]3C2	394367443	UIFBFXOUOSNARI-VCQFTWBDSA-N	211.265	-0.075	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCO[C@H](CO)C1	395614749	NKRNPFRHTCMQDH-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
NNc1ccc(B(O)O)cc1OC(F)(F)F	396056060	SZEFSQNXOGMIPO-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
CCOC(=O)c1cccc(B(O)O)c1CCC#N	396137574	LPVWYQWIKRMWIP-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
N#Cc1c(CO)ccc2c(B(O)O)csc12	396225464	QQZPJEBEHPUFAB-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CN(Cc1ccncn1)CC(C)(C)C(=O)NN	396644168	QGUDIIUWDWEDCX-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
NNC(=O)c1coc(CSCCC(N)=O)c1	399154934	HSOMZTFVPIKLEE-UHFFFAOYSA-N	243.288	-0.008	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cn3cccnc3n2)C1	585077475	UPZIJLFQRGANPN-VIFPVBQESA-N	246.079	-0.222	50	10	BBGE	
O=C(CCCl)N1CC(NC2COC2)C1	685948130	YLSCELGZTPBCLL-UHFFFAOYSA-N	218.684	-0.186	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(C(=O)C(=O)NN)C1	687218773	LVSJSFMJCGAPBR-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
NC(=O)NN=C(N)c1ccc([N+](=O)[O-])cc1	687770772	ZZEKHEILVNUARR-UHFFFAOYSA-N	223.192	-0.117	50	10	BBGE	
CN(CC(N)=O)Cc1csc(C(=O)NN)c1	689571735	RKCDZBPMDCBWKG-UHFFFAOYSA-N	242.304	-0.731	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C(=O)CCCl	690201571	SECKAEFWSWFWNG-MRVPVSSYSA-N	222.716	-0.004	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(CN)CCOC2)CC1	692090375	JPGHGCKEQRNSJU-LLVKDONJSA-N	239.319	-0.298	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)C(=O)NN)C1CC1	692096868	PYIVSBZFVFSVSD-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
Cc1nn(CC2CCC2)c(C)c1B(O)O	694226824	FVOORXGIVIIQPP-UHFFFAOYSA-N	208.070	-0.020	50	10	BBGE	
CCc1cc(Cn2ccc(B(O)O)n2)n(CC)n1	694306205	BIZXEOMKTGEWEF-UHFFFAOYSA-N	248.095	-0.610	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@]12CCC[C@@H]1C2	710328780	YTNHAYRRMNBJDT-PELKAZGASA-N	246.075	-0.110	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COCC[C@@H]1O	710949152	BHZAROOUJMCJNB-RQJHMYQMSA-N	243.712	-0.706	50	10	BBGE	
C[C@@H](CN1CC[C@H](CF)C1)C(=O)NN	711448835	VVWBXWCOBMQOEI-JGVFFNPUSA-N	203.261	-0.096	50	10	BBGE	
CCOC[C@@H](Cl)CNCCn1cnnn1	712593303	YBAMXCWHXJEVMZ-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCS[C@@H](CO)C1	720077185	YAOWZGJQCTZZNA-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
NCCCCSC[C@H]1CC[C@H](C(=O)NN)O1	723639686	UBKUUSOFTSVMKL-RKDXNWHRSA-N	247.364	-0.004	50	10	BBGE	
CNC(=O)CC(=O)NNc1ncccc1F	804217822	ILTGIGFXUIAFJW-UHFFFAOYSA-N	226.211	-0.200	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C[C@H](C)NC(N)=O	847686743	IFQIOWZQVNEGBO-LURJTMIESA-N	245.283	-0.874	50	10	BBGE	
Cc1nnc(NNC(=O)C2(N(C)C)CC2)n1C	856056095	ZBAQRQBPYJJLPA-UHFFFAOYSA-N	238.295	-0.339	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)[C@@H]1COCCO1	866255001	GFVVSLQIJDCIDN-DKCNVOGISA-N	246.238	-0.187	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)[C@H]1CCCO1	868549798	GLMIARXHNXBZDW-MRVPVSSYSA-N	239.231	-0.077	50	10	BBGE	
C#CCC(CC#C)C(=O)NNC(=O)c1ncon1	900703893	STLZEQRRJLRVLZ-UHFFFAOYSA-N	246.226	-0.507	50	10	BBGE	
COc1nc(C(=O)NN(C)C(N)=O)co1	1118909684	XIPZWTJHMWGJIW-UHFFFAOYSA-N	214.181	-0.662	50	10	BBGE	
COCC#CC(=O)NNC(=O)[C@H]1CCCS1	1330862312	LTYWKYQADOQOAC-MRVPVSSYSA-N	242.300	-0.321	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CNC(=O)C1	1451481306	XIMGVYZSSORWBX-INTFFVIUSA-N	237.259	-0.317	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCc1ncc[nH]1	1634249686	HTYFGIAVZUCYKX-UHFFFAOYSA-N	240.263	-0.739	50	10	BBGE	
COc1ccc(C(=O)NNc2cnnn2C)nn1	1641601174	NIJVUXWHGYRNOJ-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
Cc1c(CCC(=O)NNc2nc[nH]n2)cnn1C	1641624399	XHQCFGALDPBCCS-UHFFFAOYSA-N	249.278	-0.077	50	10	BBGE	
C#CC(=O)NNC(=O)CNc1cccc(OC)c1	1648421381	GDTFHABXCNNEPY-UHFFFAOYSA-N	247.254	-0.112	50	10	BBGE	
CO[C@H](CN)C(=O)NC1CC(Cl)C1	1881719514	SBCKCVQZMBVEQE-KPGICGJXSA-N	206.673	-0.154	50	10	BBGE	
C#C[C@@H](CO)NC(=O)C=CC(=O)Cl	1883627451	VDWJLYIRVZYRLT-LURJTMIESA-N	201.609	-0.582	50	10	BBGE	
CC(CO)(CO)NC(=O)[C@H]1C[C@H]1Cl	1883633712	BDNOJCAKJZOXFG-NTSWFWBYSA-N	207.657	-0.527	50	10	BBGE	
CC[C@H](COCCC(=O)NN)N(C)C	1885002434	FLVWMEFTJIEVJZ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC[C@H]1CCl	1885225411	DQSJJLQVFMEJKW-YFKPBYRVSA-N	236.684	-0.194	50	10	BBGE	
CN1CCN(C(=O)F)C[C@@H]1C(=N)NO	1887186495	NYLMWEKECYOAFX-RXMQYKEDSA-N	204.205	-0.352	50	10	BBGE	
O=C(CCl)N1C[C@H]2COC[C@@H](C1)[C@@H]2O	1887850738	QOCGQZAUZCJFER-QMSLJYSESA-N	219.668	-0.309	50	10	BBGE	
CS(C)(=O)=NCc1nc(B(O)O)cs1	1891824043	RDESERFKEILAST-UHFFFAOYSA-N	234.111	-0.950	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@@H]2C[C@H]21	1893409818	AWSVUJPAAFAGOZ-RNFRBKRXSA-N	214.652	-0.119	50	10	BBGE	
NNC(=O)N(CCO)C1CCOCC1	1893821729	MJSIOJVYNACNBE-UHFFFAOYSA-N	203.242	-0.957	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1894650342	AQDQOKQMDPNBCW-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1[C@H](O)CN1CCCCCCC(=O)NN	1900665114	OCMBGGCLLMJIFT-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CN(NC(=O)c1ncccc1F)S(C)(=O)=O	1901359445	LMZNPNWBNZTZLG-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@H](C)[C@@H](C)C(=O)NN	1902088555	VACFTDIJFIXYKP-BBBLOLIVSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902521025	FBUQSSRQZOCYJS-HLTSFMKQSA-N	227.069	-0.656	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@](F)(CO)C1	1905605063	LCFNKDNVTCGKQS-NGZCFLSTSA-N	245.298	-0.591	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2[C@H]1C2(F)F)C(=O)C(=O)NN	1905709482	XJVNDJBUTRKTRY-XVMARJQXSA-N	247.245	-0.274	50	10	BBGE	
CS(C)(=O)=NCCN1CC(=O)OC(=O)C1	1913535453	NYKBSMAXHSVQTD-UHFFFAOYSA-N	234.277	-0.901	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@H]1CC(O)C2	1922758505	DKSGHSLWCCUXSX-CIUDSAMLSA-N	227.308	-0.257	50	10	BBGE	
CN(NC(=O)[C@@H]1CN=CN1)C(=O)OC(C)(C)C	1923408782	UWNGVUIKZYUBNT-ZETCQYMHSA-N	242.279	-0.115	50	10	BBGE	
CC[C@H](C)CCN(C)C(=O)C(=O)NN	1926073254	GFAFAAFKPOSTJQ-ZETCQYMHSA-N	201.270	-0.129	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@]2(CO)C[C@]2(CO)C1	1928557762	YIUDQLAPAJGWSX-UJNFCWOMSA-N	233.695	-0.183	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCCO1	1928674998	IFLXGSDPZRVMGK-UHFFFAOYSA-N	209.196	-0.361	50	10	BBGE	
CC(C)CN(CC(=O)NN)[C@@H]1CCOC1	1931867410	BUGNMONMCHTBCF-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
Cc1cc(B(O)O)sc1CN[S@@](C)=O	1935197464	WRQQQJBEFCKUFJ-CQSZACIVSA-N	233.123	-0.881	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@H]1C[C@@H]1C(=O)NN	1936085014	PBJJSSDKWLTBRZ-AEJSXWLSSA-N	229.324	-0.296	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCOC1	1936095514	XWBQQSJQNFTKGF-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](N(C)CCOCC(=O)NN)C(C)(C)O	1936531402	TVNILMPTAZHMHZ-QMMMGPOBSA-N	233.312	-0.916	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)Cn1cnnc1	1937144344	BLFADMUOFKUUBX-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1937255565	YMKWTYFCECVBDJ-INTQDDNPSA-N	225.292	-0.523	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1938235016	FTHWMJHSKPHAPP-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCCCC1=O	1941091939	DPYWCPMIXIHNLV-JGVFFNPUSA-N	239.275	-0.458	50	10	BBGE	
CN(CCC(=O)NN)C1CCN(C2CC2)CC1	1941991027	GITGPWWHEKGQBZ-UHFFFAOYSA-N	240.351	-0.075	50	10	BBGE	
O=C1CN(CC=CCCl)CC(=O)N1	1954822903	WUVGZRGXAAZCPC-UHFFFAOYSA-N	202.641	-0.260	50	10	BBGE	
CC[C@H](COC)N(C)[C@H](C)C(=O)NN	1954920416	NDHBAZZXKDXYSP-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
NC(=O)NNC(=O)CC(F)(F)C(F)F	1955000077	NZPCSIPDBLZFIV-UHFFFAOYSA-N	217.122	-0.024	50	10	BBGE	
CC[C@H](O)CN(CC)[C@H](C)C(=O)NN	1955920230	AVLRVIUKIQMSOF-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC([C@H](F)CO)C1	1957730836	PDSWTHFGSOBBQC-HTQZYQBOSA-N	219.260	-0.983	50	10	BBGE	
NC(=O)C1(N=c2[nH]nc(CCCl)o2)CC1	1958554684	GFFSPCFXCCJAGC-UHFFFAOYSA-N	230.655	-0.297	50	10	BBGE	
Cn1nnnc1CNCCOCCCCl	1958675718	CZPNXXXKKWYZMZ-UHFFFAOYSA-N	233.703	-0.055	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)[C@H]2C[C@H]21	1960954385	YUEZFTGVQYHKTQ-RQJHMYQMSA-N	231.683	-0.150	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)nc1	1962721057	CYMNGDGYHKUHDB-YUMQZZPRSA-N	240.018	-0.537	50	10	BBGE	
CC(C)CCn1cc(B(O)O)ccc1=O	1975101455	RYNWCZDSSGYEOF-UHFFFAOYSA-N	209.054	-0.426	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1cnsn1	1979644252	YFNBPCMRBLSYGU-RNFRBKRXSA-N	239.256	-0.046	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnsn1	1979644260	YHWMHDFOOIFYOE-MRVPVSSYSA-N	243.336	-0.016	50	10	BBGE	
Cn1nnc(CNCC[C@H]2COC[C@H]2Cl)n1	1979870171	MPUROYXMCRDLFY-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
CO[C@@H]1CC(=O)N(CCCCC(=O)NN)C1	1980279729	LKFWVILOPFCDPQ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@](=O)C[C@@H]1C	1981190433	CFRVSEYZCQWRHK-DRTKUVKGSA-N	247.364	-0.402	50	10	BBGE	
CC[C@@H](C)Oc1nc(C)nc(C)c1B(O)O	1981422633	RLVMRTLZBJUJEK-ZCFIWIBFSA-N	224.069	-0.049	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](F)[C@@H](CO)C1	1983559155	MEDAELMAFINGPA-HRDYMLBCSA-N	233.287	-0.737	50	10	BBGE	
CCC(C)(C)Cn1cccc(B(O)O)c1=O	1984100859	CHBVWCXUGUBSKG-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C(C)(C)F)C1	1984252558	DCHKQLFCDXUZQK-QMMMGPOBSA-N	233.287	-0.329	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]1[C@@H](C)O	1985571141	GPKMRXHFLLSIOZ-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
O[C@H]1[C@@H]2C[C@@H](CN(CCOCCCl)C2)[C@H]1O	1985763271	TZQRPLBSQIFRRP-CKIJPRSSSA-N	249.738	-0.085	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COC(=O)C2)CC1	1987583651	UOVMZBQQEAUPEB-SECBINFHSA-N	224.260	-0.100	50	10	BBGE	
CCC(=O)NCCc1ccccc1B(O)O	1987611147	IDTDONOETRFAGB-UHFFFAOYSA-N	221.065	-0.565	50	10	BBGE	
C#CCOCCN1[C@H]2CC[C@H]1C(=O)OC2=O	1988515090	YJWOVNHLASDTIW-IUCAKERBSA-N	223.228	-0.447	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@H]1C1CC1	1990725413	KBIAVEZHBIFOQS-SFYZADRCSA-N	227.264	-0.998	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)NCC=CB(O)O)C1	1991331869	PYXXHJJYPNBQSJ-QMMMGPOBSA-N	223.041	-0.890	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@H]2CNC[C@H]12	1991647514	FIWMWDIAUREKGU-PRJMDXOYSA-N	244.678	-0.589	50	10	BBGE	
C=C(CN(C)CCN1CCCCC1)B(O)O	1992144804	DUPJSCICHHQBCB-UHFFFAOYSA-N	226.129	-0.028	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC2(CC2)CO1	1994631022	RGJFMVAMAKPZOD-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
Cc1ccnn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1994698505	LXSSDZADTLQEFX-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
Cc1ccn(CCCC(=O)NN)c(=O)c1C#N	1997074002	CNOFQVPBIZUHCQ-UHFFFAOYSA-N	234.259	-0.202	50	10	BBGE	
CN(CCC#N)Cc1nn(C)cc1C(=O)NN	2003505750	HNBJDEGEVVSPTP-UHFFFAOYSA-N	236.279	-0.631	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1CC(=O)NC2	2003960223	UGNWTIWEXYCHOL-IUCAKERBSA-N	240.307	-0.891	50	10	BBGE	
C[C@H]1CC[C@H](C)N(c2ncc(B(O)O)cn2)C1	2004911585	IUFLWHWKAPDGAG-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
CCCCOCCOc1ncncc1B(O)O	2004928758	GDVYZNBHPHCFBS-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC2CCC2)n1	2004934308	DMNNDVFAFVKXDH-UHFFFAOYSA-N	236.080	-0.048	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1C[C@@H](CO)C2)C(=O)NN	2012638830	DMSBEVLPYOKYID-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012641307	KVKRXMUIQLREBX-JGPRNRPPSA-N	241.335	-0.008	50	10	BBGE	
Cc1ncnc(OCC2CC(C)C2)c1B(O)O	2017329366	OAUUZADEUBBSPD-UHFFFAOYSA-N	236.080	-0.110	50	10	BBGE	
COCCCOC[C@H]1CCC[C@H](C(=O)NN)O1	2018243417	SFEFNAZLQFHPIG-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@@H]3COC[C@H]2C3)o1	2021404076	JXXCNXMIPCEFHW-OCAPTIKFSA-N	237.259	-0.144	50	10	BBGE	
COCC(COC)CO[C@H](C(=O)NN)C(C)C	2026060693	MKCKNVYXYOUZEI-JTQLQIEISA-N	248.323	-0.074	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3OCC[C@@H]3C2)nc1	2052470169	AIZXHMAOAOWPAU-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1c1ncccc1B(O)O	2052491259	JXAXAZIJFGSTPN-MWLCHTKSSA-N	249.123	-0.710	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2070844454	SDRYSTMBQKXCMY-GDGFKARHSA-N	245.091	-0.753	50	10	BBGE	
Cn1ccc(C2CN(C[C@@H]3C[C@H]3C(=O)NN)C2)n1	2074816440	UQBCZGDSFOEHOB-WCBMZHEXSA-N	249.318	-0.555	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccn2ccnc12	2077436267	KDHRGJWEPMIYKW-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
N=c1nnc(=NC[C@H]2C[C@@H]2Cl)[nH][nH]1	2209172596	HHCZRPWYNXNEDQ-DMTCNVIQSA-N	200.633	-0.860	50	10	BBGE	
C[C@@H](CO)Sc1ncccc1B(O)O	2210066113	SAMUCLPITIBQSY-LURJTMIESA-N	213.067	-0.766	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)COC[C@H]2C1	2211712336	FWXYUKXIXNUUCX-DTWKUNHWSA-N	243.694	-0.340	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)CCC1=O	2211839548	VZLBGVGOBOUCCN-RQJHMYQMSA-N	225.248	-0.849	50	10	BBGE	
CC(F)(F)CCN=c1ncc(B(O)O)c[nH]1	2212601878	VEMSKOABTNVFAB-UHFFFAOYSA-N	231.011	-0.965	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1ncccc1B(O)O	2212610272	GATXQJRLLDWJDO-DTWKUNHWSA-N	222.053	-0.649	50	10	BBGE	
CCC[C@H](O)CNc1ncccc1B(O)O	2212616063	ZDOZWYKASHURLL-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
Cc1cnn(C[C@@H]2CC[C@H]2C(=O)NN)c(=O)c1	2215770620	CSMZTFOGLURZOY-DTWKUNHWSA-N	236.275	-0.432	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H](O)[C@H]1CC2	2216254256	YMBJCVMYKNZPCY-DAWVFNFOSA-N	241.335	-0.011	50	10	BBGE	
OB(O)c1cccnc1OCCCNC1CC1	2217173844	QZIMVPJJDKCIJK-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1Nc1ncccc1B(O)O	2217173897	UWGFUFUSLAWCHV-UWVGGRQHSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1cccnc1NCCn1ccnc1	2217177733	MPMITHBELCGLEY-UHFFFAOYSA-N	232.052	-0.930	50	10	BBGE	
C=C(CCN)CNc1nccc(B(O)O)c1F	2217181903	WWOIKUKMOVFQBR-UHFFFAOYSA-N	239.059	-0.783	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncc(B(O)O)cn2)CCO1	2217184278	OCVOFKQQYHMQSI-VXNVDRBHSA-N	237.068	-0.864	50	10	BBGE	
COC[C@H](C)N(C)c1cc(B(O)O)c(C)cn1	2217185503	YJJIOWZKNHKPPM-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
CCCC1(Oc2ccc(B(O)O)cn2)CNC1	2217188110	JYAWDVFMIFFVFS-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CC[C@@H](N)C(C)(C)Oc1ncc(B(O)O)cn1	2217193783	XNHDSHNTVVIVCI-MRVPVSSYSA-N	239.084	-0.949	50	10	BBGE	
C=C[C@]1(Oc2cc(B(O)O)ccn2)CCNC1	2217194191	RRIOQHMFZAMLPU-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
CC1(C)C[C@H]1CCCN=c1ncc(B(O)O)c[nH]1	2223635243	URSVXSAOYCCQBV-SECBINFHSA-N	249.123	-0.184	50	10	BBGE	
CC[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CN1	2223635647	ZVYOKRLZDJMXKS-WDEREUQCSA-N	249.123	-0.296	50	10	BBGE	
Cc1c[nH]c(=NCCc2cnoc2)cc1B(O)O	2223642566	KYJMTCBSTWFNPH-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
Cc1cnc(OC[C@]2(C)C=CCN2)cc1B(O)O	2223644635	LWOHVGZSJQQZHM-LBPRGKRZSA-N	248.091	-0.633	50	10	BBGE	
Cc1cnc(OC[C@@H]2[C@H]3CN[C@H]2C3)cc1B(O)O	2223646376	JXVXQZUFZDLWFD-KKZNHRDASA-N	248.091	-0.943	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1F	2223651501	XLVHBOAWQDKSIB-JIOCBJNQSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCCO[C@H]32)nc1	2223652561	JYWIGRCLNGJTJZ-HOSYDEDBSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCCO[C@@H]32)c1	2223672278	SWCOLHRJQMXBKZ-UMNHJUIQSA-N	248.091	-0.402	50	10	BBGE	
Cc1noc(C)c1CNc1ncc(B(O)O)cn1	2223678810	IDPGHZIQYVDEDP-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1coc(B(O)O)c1	2243346739	BSFLLXQQJMBYRE-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)o1	2243361375	AJLGBTASFNYDFV-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
O=C(NC1CC1)c1ccc(Cl)cc1B(O)O	2243367334	RFZAKAXGVLJRAI-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
O=C(NCC1CCC1)c1cc(B(O)O)sn1	2243378470	UCGDSPZZCWVGTN-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1cnn(C)c1	2243396983	TYEMPJPZRSNLIE-YUMQZZPRSA-N	223.041	-0.754	50	10	BBGE	
C=CCNC(=O)c1cccc(B(O)O)c1Cl	2243397900	LCTPFWGMCKUNFT-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@H]2C[C@@H]12	2243398080	BMZBTIGDGDXTEW-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1[C@H](CN(C)C(=O)C#CB(O)O)C1(F)F	2243399280	LHVLNFLQYUTKHJ-RQJHMYQMSA-N	231.007	-0.639	50	10	BBGE	
C=C[C@@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2243407890	BLSFPQAFJRJNEL-SECBINFHSA-N	225.053	-0.857	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1sncc1B(O)O	2243414940	LDTGMRDPAFKEIU-IYSWYEEDSA-N	240.093	-0.649	50	10	BBGE	
CCN(C[C@H](C)N)C(=O)C1CC(B(O)O)C1	2243415825	CKCBCHFILBXDKC-UEJVZZJDSA-N	228.101	-0.565	50	10	BBGE	
C[C@@H](CO)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243417230	RMNDAQUHPYFBRH-HLTSFMKQSA-N	229.085	-0.674	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccsc1B(O)O	2244148107	JGHOWEWKMXYGLI-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
CC(C)CS(=O)(=O)N1CCC(B(O)O)CC1	2244171512	UMODJYMXUZJQAD-UHFFFAOYSA-N	249.141	-0.089	50	10	BBGE	
C=CCN(OC)c1ccc(B(O)O)c(C)n1	2244267490	SKTYRGNOQLPWMP-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
O=C(NCCC#CB(O)O)N[C@H]1CCSC1	2244535670	ZZMPRFKMKCQXAM-QMMMGPOBSA-N	242.109	-0.803	50	10	BBGE	
Cn1c(O)cn(CC2(C(=O)NN)CCC2)c1=O	2247183148	QCQKDHGOLGKEBO-UHFFFAOYSA-N	240.263	-0.947	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1ccc(B(O)O)o1	2247739955	DILSXARJSBNWAE-RQJHMYQMSA-N	241.027	-0.420	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]1C1CCCC1	2247746869	FMBVLZHOWWLNSN-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
N[C@H]1CCCCC[C@H]1NC(=O)C1(B(O)O)CC1	2247750830	OPGDSJAQVXCFJC-DTWKUNHWSA-N	240.112	-0.230	50	10	BBGE	
C#C[C@@H]1COCCN1C(=O)C1(B(O)O)CCC1	2247751417	XNHOFEXUTDBNTN-SECBINFHSA-N	237.064	-0.756	50	10	BBGE	
Cc1cc(CN(C)C(=O)C2(B(O)O)CC2)no1	2247759067	YJWQLHLSEYKDRD-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
COC(=O)CCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247791638	NZZVRUAAWZITRR-YUMQZZPRSA-N	243.068	-0.739	50	10	BBGE	
CC(C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247798378	SVVZLHIWHOVLOZ-KKZNHRDASA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@H]1C1CC1	2247800270	NHLFYUUSZKMZPA-XFWSIPNHSA-N	239.080	-0.779	50	10	BBGE	
CCN1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247804024	DTAOISUPPQUXAI-VHSXEESVSA-N	240.112	-0.550	50	10	BBGE	
CCN(C[C@@H]1CCCN1)C(=O)[C@@H]1C[C@H]1B(O)O	2247808337	KTOBHEQRNAIPQH-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C(C)(C)CN1	2247809223	YIQCJVYVKRZIIH-HLTSFMKQSA-N	240.112	-0.552	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C(F)(F)C12CCC2	2247846498	HLKQZZPDBCWPKA-SSDOTTSWSA-N	243.018	-0.447	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@@]2(CO)C1)C1(B(O)O)CC1	2247857500	VLBMBGQDBZNOGP-WPRPVWTQSA-N	239.080	-0.776	50	10	BBGE	
N#CCCNC(=O)c1ccc(F)c(B(O)O)c1	2247867218	AUMBJWUJAFVTDB-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
O=C(N1C[C@H]2CNC[C@@H]2C1)C1(B(O)O)CCC1	2247879737	VKCRQMMMVNKDPN-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
CCC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCOCC1	2247897389	RRKPYJLBYBUTOF-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1O	2247897864	XLUNZANKZXHNMW-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905985	WMMVIZINWQUKJP-WCABBAIRSA-N	240.112	-0.421	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2247909542	KKVZBJLTRPUHBF-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2248476834	WVOWUJSYQDMVAH-XHNCKOQMSA-N	241.096	-0.125	50	10	BBGE	
CC(C)(NC(=O)c1cc(B(O)O)co1)C(F)F	2249407882	OKDVUYTXTSSTHN-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1cc(B(O)O)co1	2249430087	YWJQVOONVQYKSY-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1CCC1	2249441161	UNDACHKGHVTSHU-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2249574649	GSCMCKICUWQOAP-JBDRJPRFSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1COC2(COC2)C1	2249637545	UXZJSNFUPPZBMP-RKDXNWHRSA-N	243.307	-0.755	50	10	BBGE	
CO[C@@H]1[C@@H](O)C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	2249795040	JNCBDZRKWZXFHR-PQFOHKHZSA-N	241.243	-0.949	50	10	BBGE	
C[C@@H]1CCCN(C(=O)NCCC#CB(O)O)C1	2249986429	QIJIEOFNEPYBQW-SNVBAGLBSA-N	238.096	-0.167	50	10	BBGE	
CON(CC1CC1)C(=O)c1coc(B(O)O)c1	2250997951	HSCSXDFERQWDKQ-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
CC1(C)CN(C(=O)Nc2ccc(B(O)O)cn2)C1	2254032433	AUOUPXZOGLOBJP-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
O=C(N[C@H]1C[C@@H](c2ncc[nH]2)C1)C1(B(O)O)CC1	2255487438	PJYCEQHPPIYEQR-OCAPTIKFSA-N	249.079	-0.221	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCC[C@@H]2C1	2255488969	MKWCRNQGEPEDNY-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
CCC/C=C/CNC(=O)c1ncncc1B(O)O	2255498279	AFARDNCMLBZUQJ-SNAWJCMRSA-N	249.079	-0.758	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NCC1CC1	2255498515	SPJFLBUBKDMPFI-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
Cc1ccc(CCNC(=O)[C@H]2C[C@H]2B(O)O)nc1	2255564939	RTDNTCLZAXHGQV-WDEREUQCSA-N	248.091	-0.088	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2255674667	ZQYYPUKCHAULRN-PSASIEDQSA-N	246.075	-0.774	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2255679290	GAZWUDLVLZXUJP-UHFFFAOYSA-N	248.091	-0.123	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)cc1O	2263401223	IUSLLMJGFNHNIQ-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C[C@H]1C[C@H](O)CN([C@H](C)C(=O)NN)C1	2297116698	MOBZTRJWBYSEIG-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)[C@@H]1CCCC[C@H]1O	2298371112	AEVXTPMCYNKZRR-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2C[C@H]12)C1CC(B(O)O)C1	2298371541	OAMPFCQIFNFHJD-PGQYJIMISA-N	238.096	-0.894	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298468132	SQUOAARIZDIAJF-YSSBGUOXSA-N	241.096	-0.362	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C[C@H]1CC[C@H]1C(=O)NN	2302496415	KUYPOEFABJCCOS-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
N[C@@H](C/C(C=O)=C/C=C(/O)C(=O)O)C(=O)O	30725483	OAPFPZKGGMKELA-WEBQFGJISA-N	229.188	-0.560	50	10	BBGE	in-vitro
CCC[C@@](C)(NCC(=O)NNC(C)=O)C(=O)O	36807855	JPIIPZMGIXBGMF-SNVBAGLBSA-N	245.279	-0.613	50	10	BBGE	
CN1CCN(CC(=O)NN)CC1(C)C	82485348	NJOHXAXSUBBCGK-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1ccc(C(N)=O)n1	82877941	OJVDPGKTXLVVDS-SSDOTTSWSA-N	225.252	-0.831	50	10	BBGE	
NNC(=O)CCCn1nnc2ccccc2c1=O	110600592	UJMJSSXXJVSISM-UHFFFAOYSA-N	247.258	-0.438	50	10	BBGE	
COCC(=O)NNC(=O)c1ncccc1C	122297313	RBKBLODHXQKPFY-UHFFFAOYSA-N	223.232	-0.203	50	10	BBGE	
COC[C@@H](O)CN(C)C[C@@H](O)CCl	225633229	IOBURJYVIXSVSY-YUMQZZPRSA-N	211.689	-0.475	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1c[nH]nn1	234542737	JJZJGGRVIAWZHQ-BYPYZUCNSA-N	232.627	-0.685	50	10	BBGE	
C[C@H]1CN(C)CCN1CC(C)(C)C(=O)NN	235575660	SEPSTHOAZBZEEK-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H](Nc1nc(N)nc(N)n1)C(=O)Cl	238470377	OVUINZYBOYRZKY-REOHCLBHSA-N	216.632	-0.398	50	10	BBGE	
CC1(C)CC(=O)CC(=NNC(=O)C(N)=O)C1	252511523	HPSWHKYQPSCFBI-UHFFFAOYSA-N	225.248	-0.277	50	10	BBGE	
CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(C)C1=O	255638230	JPZCDCUXFBITNF-UFGYOYAJSA-N	237.259	-0.223	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@H](C(N)=O)C1	300353111	UILKLTDVTZDJHV-NKWVEPMBSA-N	201.657	-0.075	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)CCl)C1	306312594	SVHSXGGEMKXFQM-QMMMGPOBSA-N	220.656	-0.936	50	10	BBGE	
C[C@H](NC(=O)CCl)c1nc(=O)[nH][nH]1	307562384	KSUPVBVCCSONIZ-VKHMYHEASA-N	204.617	-0.486	50	10	BBGE	
CSCC[C@H](N)C(=O)NNC(=O)C1CC1	308853678	SDSAPMBJGYWBSR-ZETCQYMHSA-N	231.321	-0.376	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	309288067	PJPKQTMWMBZGPA-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CN2CCC1CC2	309296859	XGIKPPVUZGWXKS-PSASIEDQSA-N	226.324	-0.609	50	10	BBGE	
CCCN1Cc2c(B(O)O)cccc2C1=O	309346645	LGTUPPCKHVKTRX-UHFFFAOYSA-N	219.049	-0.268	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@@](O)(CO)C1	313680127	HPLCCCNFDBDNEY-CBAPKCEASA-N	221.684	-0.183	50	10	BBGE	
CNC(=O)C[C@H](C)NC(=O)NC(=O)CCl	322942134	PTFBDWGEQANPOU-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
C[C@@H]1OCCN(Cc2cccc(B(O)O)c2)[C@@H]1C	380309458	SBVHUSXKBHQOMK-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
C#CCN(C)CCNS(=O)(=O)CCCl	382051771	MVYUSDMZWBMRCR-UHFFFAOYSA-N	238.740	-0.290	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(O)(C2CC2)C1	384173065	URAVJDJRGFREER-SFYZADRCSA-N	227.308	-0.542	50	10	BBGE	
Nc1ccc(B(O)O)c2scc(CO)c12	396247679	PUBNPBKVCBYKOY-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc2c(B(O)O)c(C=O)ccc2s1	396261644	XXCAAVXHERORQO-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401617806	OIYJXJPAOXCOKW-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
N#Cc1cccc(C[S@@](=O)CC(=O)NN)c1	526901855	CUNLXRXHJZOQHM-MRXNPFEDSA-N	237.284	-0.203	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C(=O)NN)CS1	606286698	SMFMYDMTAKXTDR-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@@H](C)[C@H](O)C2)C(=O)NN	686194226	VUWNILPMPLIOLN-SAVGLBRCSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cnn(Cc2ccccc2F)c1	694485114	AVFTXIVFSAOKPF-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@@H](O)C1	695086635	IZASJMMRACLREP-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C1	695087624	PTMBJBSEVKCILT-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
COCCN(CCF)C[C@@H](C)C(=O)NN	697054131	ANOKEYWWWUGXSA-MRVPVSSYSA-N	221.276	-0.470	50	10	BBGE	
C[C@@H]([C@@H]1CCCCO1)N(C)C(=O)C(=O)NN	706004644	GVZJQAMGIMNVFO-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C[C@H]1C	706114372	KASNZWKFNASLCT-ZYUZMQFOSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1[C@H](C)CCC(=O)NN	706207427	ONRXRHZNKNVWST-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
C#CCOC(=O)N1Cc2ccc(B(O)O)cc2C1	707988321	WIKKXCSWYZTDSW-UHFFFAOYSA-N	245.043	-0.548	50	10	BBGE	
CO[C@H](C)C(=O)N1Cc2ccc(B(O)O)cc2C1	708043962	YUHOAWNDMSPOGE-MRVPVSSYSA-N	249.075	-0.757	50	10	BBGE	
CCC[C@H]1CN([C@@H](COC)C(=O)NN)CCO1	708948833	ZWBZLVKUQCLXII-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@]1(O)CCCN([C@H](C)C(=O)NN)C1	710208646	GHIMUZZOGUQHIP-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C12CCN(CC1)C2	716124207	IOBWWJSGANOMCN-RKDXNWHRSA-N	236.271	-0.249	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893057	QAOBXDGEBDTPCC-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)N(C)C	746014717	OSANWSPNKCELJY-UHFFFAOYSA-N	230.268	-0.795	50	10	BBGE	
CN(NC(=O)[C@@H](O)Cc1cnn(C)c1)C1CC1	819651281	IGGBSKBGCOFKQJ-JTQLQIEISA-N	238.291	-0.551	50	10	BBGE	
CNC(=S)N(C)NC(=O)C1CC(C)(O)C1	854927480	JPRPKJSZOCPSAT-UHFFFAOYSA-N	231.321	-0.385	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNC(=O)CC1CC1	908447524	GZFPNAKIMHSQCV-UPHRSURJSA-N	249.274	-0.218	50	10	BBGE	
CCNC(=O)C(=O)NN=Cc1ccc(O)cc1	1084220986	VNHRYKFNEONYOD-UHFFFAOYSA-N	235.243	-0.022	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)C(C)C	1135735369	GTVOFJAFBMABGW-MRVPVSSYSA-N	212.249	-0.172	50	10	BBGE	
COCC#CC(=O)NNc1nc2ccccn2n1	1138219268	KTMVTQLGBMDLPM-UHFFFAOYSA-N	245.242	-0.178	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cc1	1296711559	OXJDXJLOUXDTFA-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
N#Cc1ccc(NNC(=O)CC(N)=O)nc1	1558273601	LFYSFYOTZGXPAD-UHFFFAOYSA-N	219.204	-0.728	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccnnc2)n1C	1585326474	MWEFSCIXNPPKCG-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
CN(NC(=O)c1c(F)ccc(O)c1O)C(N)=O	1641429592	MNXBKCPGNRTCGL-UHFFFAOYSA-N	243.194	-0.108	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C(=O)O)[C@@H](C)O	1865770309	QWITUMIMJALCSI-LMVFSUKVSA-N	209.629	-0.436	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)CCCl)C(=O)O	1866011573	RQOABGCSFFZLOT-XINAWCOVSA-N	209.629	-0.435	50	10	BBGE	
O=C(CCl)N[C@@H]1CCn2nnnc2C1	1875665741	CLJPSMYSIQOXMK-RXMQYKEDSA-N	215.644	-0.657	50	10	BBGE	
OCC1(O)CN(C[C@@H]2C[C@@H]2Br)C1	1877487696	RKYBRYBZVLQPMS-BQBZGAKWSA-N	236.109	-0.191	50	10	BBGE	
C[C@H]1[C@H](O)CN1S(=O)(=O)CBr	1880271790	KEOHYTZLUINYDX-CRCLSJGQSA-N	244.110	-0.266	50	10	BBGE	
C#C[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1883648057	VDWJLYIRVZYRLT-YUDCMIJISA-N	201.609	-0.582	50	10	BBGE	
O=S1(=O)C[C@@H](NC2CC(Cl)C2)[C@@H](O)C1	1884419703	MSASLTYZJXMCOL-CRYROECRSA-N	239.724	-0.496	50	10	BBGE	
O=S1(=O)CC2(CN1)CN(CCCCl)C2	1884793610	XCBCHJZIRLUEMI-UHFFFAOYSA-N	238.740	-0.150	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CS(=O)(=O)[C@H]2C1	1887071695	IRYCOSKBHXDIHQ-RITPCOANSA-N	223.681	-0.519	50	10	BBGE	
CN(NC(=O)CS)S(=O)(=O)C1CCC1	1888571358	GXXNPPPNADOZAC-UHFFFAOYSA-N	238.334	-0.239	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)C(=O)C(=O)NN	1888816695	DFIGBSBGLQUPKD-WDSKDSINSA-N	203.217	-0.960	50	10	BBGE	
NC(=S)NNC(=O)[C@]12CCOC[C@@H]1C2	1891625765	GANYITPOHVKWLM-XNCJUZBTSA-N	215.278	-0.723	50	10	BBGE	
NC(=O)COC1CN(C[C@@H]2C[C@@H]2Cl)C1	1893127067	FQVGOSUUDFMPJM-XPUUQOCRSA-N	218.684	-0.200	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H](O)[C@@H](O)C1	1893488547	XLFPVGKNIOPWBW-GHNGIAPOSA-N	219.668	-0.432	50	10	BBGE	
C[C@H]1CCS(=O)(=O)N1[C@H](C)CC(=O)NN	1893851523	MGGCSHCWHBIASE-NKWVEPMBSA-N	235.309	-0.821	50	10	BBGE	
CN(Cc1ccno1)C[C@@H]1C[C@H]1C(=O)NN	1897836486	UYUHTMZTNVTETE-IONNQARKSA-N	224.264	-0.268	50	10	BBGE	
NNC(=O)CN1CC[C@H](O)C[C@H]1C(F)(F)F	1899998027	JOVBJJFNYFKXMY-WDSKDSINSA-N	241.213	-0.636	50	10	BBGE	
C[C@@H](CO)N(C)CCC[C@H]1C[C@H]1C(=O)NN	1900536019	XUWVYZXEISGKRP-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)COC[C@H]1COC2(CCC2)CO1	1901197286	POTLLJPCKMMERG-QMMMGPOBSA-N	230.264	-0.669	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@@H]2C[C@H]2F)c1	1907460025	SYDNQAWMTVGNGT-VXNVDRBHSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ncc(F)cc1B(O)O	1909025866	GPZZQQSQDJZFGP-SFYZADRCSA-N	238.071	-0.007	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1CNC[C@H](O)C1	1909294716	CRFWTLHJSUJEPZ-MDVIFZSFSA-N	232.711	-0.157	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CCC[C@H]2F)n1	1910212914	JJRGWTZKUOSUCJ-RKDXNWHRSA-N	240.043	-0.266	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)S(=O)(=O)CC	1913825020	BIBUYUGQPXEODJ-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C(=O)NC(=O)CCCl	1916839157	OQHASNUMAIAGHA-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1NC(=O)C(=O)NN	1927830529	XKXPEGOWOOJDTI-NGJRWZKOSA-N	211.265	-0.473	50	10	BBGE	
COCCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927913122	FRYUFABJMQESLJ-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1927933869	ISSSOTIBMSROSU-IONNQARKSA-N	213.281	-0.524	50	10	BBGE	
O=c1[nH]cc[nH]c1=N[C@H]1COC[C@H]1CCl	1928744250	PFUCQFSZJIJDTM-RQJHMYQMSA-N	229.667	-0.143	50	10	BBGE	
C[C@@H](CN1CCOCC[C@@H]1C)C(=O)NN	1929659875	SDADENCOGQMQQL-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1CCC[C@H](C(F)F)C1	1930268886	XSXRKTTVPNFZLV-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C(C)(C)O)C1	1932096817	TTZXXMQLUKPSJU-ZCFIWIBFSA-N	201.270	-0.933	50	10	BBGE	
NC(=O)NN=C1CCCO[C@]12CCOC2	1934134548	XMLLVEYHWCKAFD-VIFPVBQESA-N	213.237	-0.020	50	10	BBGE	
CC[C@@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	1936095687	ZWHWYPGWJLSJGH-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CSCCCN1CCOCC(=O)NN	1936531548	FGEVUVLDHQYVNV-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1CC1(C(=O)NN)CC1	1938232388	JNMYKQOKNSNQDH-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2CC[C@@H]21	1938601519	SAZVVIXDNNEPRM-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C(=O)NN)C1(C)C	1939687644	WNWSSFQBGDPVOR-RQJHMYQMSA-N	229.280	-0.846	50	10	BBGE	
COC1(CCl)CN(C(=O)[C@@H]2COCCO2)C1	1940016030	VMJYDZWDVRBUJM-QMMMGPOBSA-N	249.694	-0.132	50	10	BBGE	
COCCCOCCOC[C@@H]1C[C@@H]1C(=O)NN	1941086364	QVYXBMFWZLJPAZ-UWVGGRQHSA-N	246.307	-0.318	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](C2CC2)C1	1941092881	CWRJKGOGRYZMBG-HBNTYKKESA-N	239.319	-0.277	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)CC1(C)C	1945882481	ITCXTJWXRVSDJI-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H](C3CC3)C2)CC1	1945894378	UIQYDRDSAQUZNN-SNVBAGLBSA-N	239.319	-0.133	50	10	BBGE	
COc1ncc([C@@H](N)[C@H](O)C#N)cc1[N+](=O)[O-]	1952957040	SHOXSHLGEAQQQR-HTQZYQBOSA-N	238.203	-0.117	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)C(F)(F)F	1957164102	CMUAZEUSWUPMPY-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
CCN(C(=O)[C@@H](C)Cl)[C@@H]1CC(=O)NC1=O	1961459594	DEHQOJAFCHDVDY-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
CCOC1CN(c2nc(B(O)O)cs2)C1	1961717786	GDSLRFSZXLNVSB-UHFFFAOYSA-N	228.082	-0.952	50	10	BBGE	
CC[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	1981408681	DCYNWWVYFSBIRU-MRVPVSSYSA-N	221.069	-0.607	50	10	BBGE	
CSC1CN(c2nc(C)ncc2B(O)O)C1	1981469270	PSEIVLOJBDQYPP-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
CCCN(OC)c1cc(C)c(B(O)O)cn1	1981469552	UUZMLIPJLMIJDA-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
Cc1cc(N2CC[C@H]3C[C@@H]32)ncc1B(O)O	1981472374	PYZTZEIGVIMJMZ-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
CC[C@@H](CO[C@H](COC)C(=O)NN)N(C)C	1983913842	NMSBZWWTKYJUKF-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	1987531583	WWVCXDKOFFUZEX-DTWKUNHWSA-N	224.308	-0.855	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1990540972	WVCPQEJHDVJNCF-YWVKMMECSA-N	225.292	-0.765	50	10	BBGE	
CO[C@H]1CNCC[C@H]1NC(=O)C=CC(=O)Cl	1991654464	LBZVTUDJMQMZQX-SFYZADRCSA-N	246.694	-0.199	50	10	BBGE	
O[C@H]1COC2(CN(CC3CC(Cl)C3)C2)[C@H]1O	1991701087	BSDLSXDICGTHOK-QLEHZGMVSA-N	247.722	-0.190	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1991704069	OQDDJLDCQPBEFR-HARGQQHNSA-N	245.662	-0.740	50	10	BBGE	
C=C(CN1C[C@@]2(C)C[C@@]2(COC)C1)B(O)O	1992167155	FLPQAGNKDQCHHJ-MNOVXSKESA-N	225.097	-0.087	50	10	BBGE	
N#CC1(O)CCN(C[C@]23CNC[C@@H]2C3)CC1	1993203261	VXUDZZPXAJEMHL-QWRGUYRKSA-N	221.304	-0.054	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2cncnc2C1	1994940838	ATUYHLBEWINPMF-VIFPVBQESA-N	221.264	-0.439	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C)[C@@H](C)C(=O)NN)no1	1997752479	NEVOWXNEDCAQHR-RQJHMYQMSA-N	241.295	-0.176	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C(N)=O)CC12CC2	2002289947	IPCVVTFWSGPSCJ-JGVFFNPUSA-N	240.307	-0.905	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](c2ccnn2C)C1	2004399410	PKULGOYMHLTRBJ-DTWKUNHWSA-N	237.307	-0.412	50	10	BBGE	
C[C@@H]1CCCN(c2ncc(B(O)O)cn2)[C@@H]1C	2004912517	URMXZVXOONSWFG-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CC3(CC(F)C3)C2)nc1	2004918273	JNWNTYMFMMEOMX-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
Cc1nc(O[C@@H]2CO[C@@H](C)C2)ccc1B(O)O	2004925445	QJAJPOCOUNHHJX-CBAPKCEASA-N	237.064	-0.374	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2005806547	KSGOYFLGJHRYPM-ZXEGLVKPSA-N	235.287	-0.521	50	10	BBGE	
C[C@H](COCc1nc(C(=O)NN)co1)N(C)C	2007005197	HFISIRMVHHACGH-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	2008728118	PMKDNZFZTLQOJD-LNFKQOIKSA-N	241.335	-0.154	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C[C@@H]1C[C@@H]1C(=O)NN	2012361873	JLFABRJTEQSUPQ-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](F)CN1CCN([C@@H](C)CC(=O)NN)CC1	2015816958	PEFHSCJQUJZRIP-UWVGGRQHSA-N	246.330	-0.270	50	10	BBGE	
COCCN(C(=O)C(=O)NN)C1CCCCC1	2020534400	QILFSVIKZUFUFO-UHFFFAOYSA-N	243.307	-0.216	50	10	BBGE	
OB(O)c1cnn(C[C@]23CO[C@](CF)(C2)C3)c1	2023878872	XXNYXOHLYWEWAL-AOOOYVTPSA-N	240.043	-0.918	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c1B(O)O	2052553797	MDANDUHRDATGOO-IMSYWVGJSA-N	245.091	-0.691	50	10	BBGE	
OB(O)c1cc(OCc2ccncn2)ccc1F	2052684756	SQKRFBOLIACHTJ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1[C@H]2CCO[C@H]21	2056374512	HHUBRVYBYZKVMA-AVPPRXQKSA-N	247.059	-0.660	50	10	BBGE	
CCc1c(B(O)O)ccc(C=O)c1[N+](=O)[O-]	2060037104	WTOLCOUXBSUAPU-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
C[C@H]1C[C@@H]1CCC(=O)Nc1ncc(B(O)O)cn1	2072095562	OCMXQWAMZHZJBR-YUMQZZPRSA-N	249.079	-0.469	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2C[C@H]21	2079008900	CNPWBRIODRSSCX-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)c1cccc(B(O)O)c1	2079010056	MHRLTHIPPHHIKZ-QWRGUYRKSA-N	249.075	-0.990	50	10	BBGE	
C[C@@H](CO)Sc1ccc(B(O)O)cn1	2210067099	ZITIEXMHVIIVBX-LURJTMIESA-N	213.067	-0.766	50	10	BBGE	
Cc1cnc(N2CCCCO2)cc1B(O)O	2212606571	WFIBLJPOKKTUKD-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2C[C@H]2C1=O	2215709815	MUJOGTLACKDDFI-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CCO1	2217177411	ISIUXVFOUFMKJN-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
CCN(C[C@H](C)O)c1nccc(B(O)O)c1F	2217183971	PEMASRMMNSDCOV-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
CCC[C@@](C)(O)CNc1cc(B(O)O)ccn1	2217196164	QCDWOKISTDPSIW-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
CC[C@@](C)(COC)Nc1ncc(B(O)O)cn1	2217196515	GWDSZARQEUETQS-JTQLQIEISA-N	239.084	-0.617	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1c1ccc(B(O)O)cn1	2217200677	VGYSYBDDXKQLHN-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC23CCC3)[nH]c1	2217203619	YBLKBTNIFITQMZ-MRVPVSSYSA-N	233.080	-0.820	50	10	BBGE	
C[C@H]1COCC[C@@H]1Nc1ncccc1B(O)O	2217205468	ZHLGLDKKNCTRCG-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
CNC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220064720	PDPXFERDRXWEKH-LBPRGKRZSA-N	248.135	-0.592	50	10	BBGE	
Cc1ncccc1CN=c1ccc(B(O)O)c[nH]1	2223632386	JCXHGWAIKAQBMN-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1F	2223651499	XLVHBOAWQDKSIB-DQUBFYRCSA-N	248.066	-0.255	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H](N)C2(C)C)cc1B(O)O	2223653922	VVTZBRYDXAUHBI-UWVGGRQHSA-N	249.123	-0.392	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H]1CCN	2223672836	UXKKTLYXPVEJTF-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
CON(C)C(=O)c1csc(B(O)O)c1	2241468722	TXJCCFWCEBKDRD-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
C[C@H](c1nscc1B(O)O)N(C)C#N	2241554600	FMJYNBMQNAWDLX-RXMQYKEDSA-N	211.055	-0.703	50	10	BBGE	
CO/N=C/C(=O)NNC(=O)C(F)(F)F	2241882139	WSAIKRXUCBMEHK-XNWCZRBMSA-N	213.115	-0.672	50	10	BBGE	
N#CC1(NC(=O)C2(B(O)O)CCC2)CCC1	2243346830	DIIKHVHCVAFRCV-UHFFFAOYSA-N	222.053	-0.054	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)C(=O)C#CB(O)O	2243350175	WWAONMLOJVKDCT-JTQLQIEISA-N	219.049	-0.738	50	10	BBGE	
C[C@@H]1CC(NC(=O)C#CB(O)O)C[C@@H](C)O1	2243356666	LJUIRFXOTVZNKO-HTQZYQBOSA-N	225.053	-0.926	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ncsc1B(O)O	2243358969	MKJUVZCZBGIZLB-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC2CC1C2	2243359590	URAABIGFXHFZEE-UHFFFAOYSA-N	238.077	-0.943	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC=CCC1	2243378473	UEHGJXPGOSSTPF-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243391484	LERZJUXYOLYVCT-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)C#CB(O)O)CCS1	2243398050	BCZHGQTXDCIGIL-SECBINFHSA-N	241.121	-0.398	50	10	BBGE	
O=C(C#CB(O)O)N1CCSC2(CCC2)C1	2243400633	FKQSVYYOHSPGMY-UHFFFAOYSA-N	239.105	-0.500	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(CC(F)F)C1	2243404016	HRGZAYZBMVXHRX-BQBZGAKWSA-N	233.023	-0.037	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCCCO1)B(O)O	2243412955	WRFRPNBZBIYLOR-UHFFFAOYSA-N	249.097	-0.698	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccncc1Cl	2243686883	RBNRSAUUBPXGPX-UHFFFAOYSA-N	238.439	-0.520	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2243752400	IJZNJAVHMYYONO-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2243752999	PDKWZBXZFCHMQB-NKWVEPMBSA-N	229.041	-0.829	50	10	BBGE	
OB(O)c1ccc(CO[C@@H]2C=CCOC2)s1	2244088648	VCIAAXPHBQGJAQ-MRVPVSSYSA-N	240.089	-0.101	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)co1	2244204761	AHUAUJSTHWMGBJ-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2244343088	CNRYKPVQIYSOOF-LOKLDPHHSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@H](C)NC(=O)NCCC#CB(O)O	2244534653	MEJPWXSGZJBRLC-VIFPVBQESA-N	226.085	-0.120	50	10	BBGE	
CN(C(=O)Nc1ccc(B(O)O)cn1)C1CC1	2247215220	AKZFPBHLBHBLIU-UHFFFAOYSA-N	235.052	-0.613	50	10	BBGE	
O=C(NC[C@H](CO)C1CC1)C1(B(O)O)CCC1	2247732438	FQKYDPWFVMVMES-SECBINFHSA-N	241.096	-0.482	50	10	BBGE	
CN(C)CCCCNC(=O)C1(B(O)O)CCC1	2247732482	GGVFTIRFMCKKEO-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
CC[C@@H](C)N(CC)C(=O)c1cc(B(O)O)c[nH]1	2247748030	WPZYRMCTAMKHHY-MRVPVSSYSA-N	238.096	-0.045	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2247753962	BIZLPNKOEGDWQN-SECBINFHSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)C1(B(O)O)CCC1	2247757713	RERCFDSTBMDGGD-HLTSFMKQSA-N	238.096	-0.750	50	10	BBGE	
CC1CC(CO)(CNC(=O)C2(B(O)O)CC2)C1	2247763978	RDNHMCAZTSPEKE-UHFFFAOYSA-N	241.096	-0.482	50	10	BBGE	
CCN(CC(C)(C)CN)C(=O)C1(B(O)O)CC1	2247871195	XHIUWFIOJBFZMY-UHFFFAOYSA-N	242.128	-0.173	50	10	BBGE	
O=C(NCC1(CO)CCCC1)C1(B(O)O)CC1	2247876995	AGKJMMUIHCVWAW-UHFFFAOYSA-N	241.096	-0.338	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247878080	HMFPMJUWDUBLIE-YUMQZZPRSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCC12CC(CCO1)C2)[C@H]1C[C@H]1B(O)O	2247887347	MYYMQQSBRWKVFV-UVCIYIGYSA-N	239.080	-0.465	50	10	BBGE	
C#Cc1c(NC(=O)[C@@H]2C[C@H]2B(O)O)cnn1C	2247888444	ZOIWCXKWBRZDDR-RNFRBKRXSA-N	233.036	-0.797	50	10	BBGE	
C[C@H]1CCN[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894459	GZXKISPCURBJQE-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
Cc1cnn(CCNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247895105	OMNKUSQOVQXQDH-IUCAKERBSA-N	237.068	-0.829	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2247897124	OFRBKBIIQPJZCZ-VVULQXIFSA-N	239.080	-0.467	50	10	BBGE	
O=C(NCC[C@@H]1CCCNC1)[C@H]1C[C@H]1B(O)O	2247898369	CVYCFISZIFNGLU-LPEHRKFASA-N	240.112	-0.645	50	10	BBGE	
COC[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898535	FJMMEDAOVPZXDS-MRTMQBJTSA-N	245.059	-0.564	50	10	BBGE	
NCC1CC(F)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247900049	SLZWLXQYQPOBPT-DOPNHTQNSA-N	244.075	-0.958	50	10	BBGE	
C=CCC(=O)Nc1cc(B(O)O)ccc1OC	2248419428	AIOQNIACKPDVPS-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
C#CCC(=O)Nc1cc(B(O)O)ccc1OC	2248442318	RJJUMFJBHCGBAQ-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C=CCC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248588924	JWUICAQQKBFDJH-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
CC1(C)CCN(C(=O)c2cocc2B(O)O)C1	2249410501	NNAYNXIBDSXEBP-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@H]2CCCC[C@H]12	2249998408	IMFHMHQDTTZVLJ-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
O=C(c1occc1B(O)O)N1[C@H]2C=CC[C@H]1CC2	2255490621	LADDPISTHQRONL-IUCAKERBSA-N	247.059	-0.108	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1C	2255512928	IFWJEUJPHYJFMV-SECBINFHSA-N	245.087	-0.231	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1ncccc1B(O)O	2255517481	WENXJKMOBGDCAI-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)[C@H]1C[C@@H]1B(O)O	2255570828	JMBMZHBCZWZGTE-MIMYLULJSA-N	248.091	-0.008	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2255574680	FWWNXPJFTKAMFE-MRVPVSSYSA-N	249.075	-0.343	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1O[C@H]2CC[C@H]1C2	2255717961	RRUNNGVOWKQYON-UWVGGRQHSA-N	248.047	-0.930	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2CCOC2)c1	2255735412	SSNVFAVAUXAMSH-LLVKDONJSA-N	249.075	-0.806	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2258137799	AZHBMGAGIQMISL-UVMAFCGOSA-N	247.059	-0.560	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368750	VTGCLVIKWJSRSM-CIQUZCHMSA-N	238.096	-0.955	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)CN1	2298369731	CMQIJUFJBSLJHM-UTINFBMNSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298376815	PYHQCDPEVZYQNU-MQIGXGKASA-N	241.096	-0.126	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C(C(F)F)[C@@H]2C1	2298377286	LFTOANNCHKNZBN-DBRKOABJSA-N	245.034	-0.181	50	10	BBGE	
CC1(C)[C@H]2CO[C@]1(C(=O)NCC=CB(O)O)C2	2298729403	COSUESSGHOKVIR-KCJUWKMLSA-N	239.080	-0.514	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2C[C@H]1C(=O)N2C	2299224678	RROXRNWEFNJTKB-VGMNWLOBSA-N	240.307	-0.940	50	10	BBGE	
CO[C@@H]1COCCN([C@H](C)CCC(=O)NN)C1	2306798639	GZDCBVIAWGJCJV-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CNCC12CC2	2314778966	MIQJFKMOCJHXIT-VIFPVBQESA-N	247.107	-0.827	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317168843	ZHXTXROUUKXSFT-PELKAZGASA-N	246.075	-0.315	50	10	BBGE	
O=S(=O)(O)C[C@@H](O)CBr	34406524	RUHYPDTWURIZAR-VKHMYHEASA-N	219.056	-0.370	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCC[C@@H]1C(N)=O	36906238	UIPRUZIUABCDNC-NTSWFWBYSA-N	247.682	-0.200	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)Cc1ccccc1	49818236	RIRLTZLKNJATFK-QMMMGPOBSA-N	221.260	-0.276	50	10	BBGE	
CCOCCCNC(=O)CCC(=O)NN	58862403	ZBALMNJTDFPYFY-UHFFFAOYSA-N	217.269	-0.701	50	10	BBGE	
CN1CCN(CCOCCCl)C(=O)C1=O	82513500	CIMKPMUIJKBJFU-UHFFFAOYSA-N	234.683	-0.458	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1CC(O)C1	86313735	WNKRHRBKEYWQHW-DKEVHCRPSA-N	229.324	-0.296	50	10	BBGE	
COCCCN(CCCC(=O)NN)CCOC	104101130	HGQWNFPYNVBNRH-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCNC(=O)C1(C)C	110664485	OMVJNKYCMFAHBA-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)c1coc(Cn2cnccc2=O)c1	111403011	QXLMNPMRKAXFQH-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)NC[C@H]2C1	139547984	RHUYFLFBFFVSRK-SFYZADRCSA-N	228.683	-0.173	50	10	BBGE	
COCOc1ccc(OCOC)c(B(O)O)c1	202592683	WWMMDMHBEZNGQW-UHFFFAOYSA-N	242.036	-0.668	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H](N)C2)cs1	203225902	FZUDMFKTOLOPRB-LURJTMIESA-N	241.320	-0.720	50	10	BBGE	
O=C(O)[C@]1(CCCCB(O)O)CCCN1	203699396	PUGJOOXDLAIKFA-VIFPVBQESA-N	215.058	-0.164	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@H](C(=O)NN)C(C)C	216336514	AIZVFTPXUKVWJW-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1N1CC(=O)OC(=O)C1	229670897	MAXXHLBACPBBIU-BDAKNGLRSA-N	226.276	-0.288	50	10	BBGE	
O=C(CCl)NC(=O)NCCc1ncno1	231838090	LQEBPRUVTVQAAB-UHFFFAOYSA-N	232.627	-0.323	50	10	BBGE	
COC[C@H](SC[C@@H](C)CO)C(=O)NN	232421661	CIMKAHJFSKJFMS-BQBZGAKWSA-N	222.310	-0.647	50	10	BBGE	
COC[C@H](SC[C@@H]1CCCO1)C(=O)NN	234714462	HWOJCJQBNOLQOZ-YUMQZZPRSA-N	234.321	-0.097	50	10	BBGE	
OB(O)c1ccc(Br)nc1O	238620170	OUAITOPXLXLTBH-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
C[C@@H]1CN2CCCC[C@H]2CN1CCC(=O)NN	251585942	CPAPDBLOVKEXOM-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CN1CCC[C@@H]([C@@H](N)CC(=O)N(C)N)C1	258962796	CFSNJRRYEJLPRT-BDAKNGLRSA-N	214.313	-0.622	50	10	BBGE	
OB(O)c1sc2cccc(O)c2c1O	306655805	YVPJWFXDTQIUAI-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Nc1cc(O)cc2scc(B(O)O)c12	307186926	NVSFNIGBHYQDQA-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NNC(=O)c1csc(CN2CCOC2=O)n1	378711049	LEKHGGRYTRWREK-UHFFFAOYSA-N	242.260	-0.301	50	10	BBGE	
OB(O)c1ccnc(NC2CCCCC2)n1	381197257	BEOVFCYQHKZPSM-UHFFFAOYSA-N	221.069	-0.099	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc(C(C)C)n1	381247227	NOEHWYFVDYJGSM-ZETCQYMHSA-N	227.268	-0.421	50	10	BBGE	
N#CC(=NOC(=O)NCCCl)C(N)=O	383685869	MODAGDJRHQXVIN-UHFFFAOYSA-N	218.600	-0.684	50	10	BBGE	
COC(=O)[C@@H](N=[N+]=[N-])C(C)=NNC(N)=O	383688351	RLSURDBFBRLMDL-BYPYZUCNSA-N	214.185	-0.118	50	10	BBGE	
NCCNCCO[P@](=O)(O)CCCl	388169642	WPZKCJPDANMXBP-UHFFFAOYSA-N	230.632	-0.025	50	10	BBGE	
C[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@@H]1O	388380776	PIHQMOUGDNJASN-HRDYMLBCSA-N	229.324	-0.296	50	10	BBGE	
C[C@H]1CN(CCC(C)(C)C(=O)NN)C[C@@H]1O	388412759	XJBQAOUPQYGZJH-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
O=C(CNS(=O)(=O)CCl)NCC1CC1	393122494	OPQXTSTXQKHOMF-UHFFFAOYSA-N	240.712	-0.372	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c(F)c1	396022852	HZVZXSLOFVFOLS-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
O=C(O)CCc1ccc(O)c(B(O)O)c1	396053863	HZCHQMSKKULJHC-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
Nc1cc(C(=O)O)cc2cc(B(O)O)sc12	396241343	IQZWWBREIOCTMP-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCO[C@@H]1C[C@@H](C(=O)NN)N(C(C)=O)C1	399767480	XLVSKWOBRPDHAE-SFYZADRCSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCCOC1	401440939	ARKPOSIJECYTDY-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
O=C(CC1CC1)Nc1ncc(B(O)O)s1	404978565	FVAILBKZUBWXAI-UHFFFAOYSA-N	226.066	-0.439	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccon1	405001693	NGUZMMDJXLFBID-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@H](C)C(=O)Nc1cc(B(O)O)ccn1	405056757	MEUSOWPWTCLVTK-ZETCQYMHSA-N	222.053	-0.254	50	10	BBGE	
C[N+]1=C=C(C2=C=S=C(Br)N2)NN1	642830828	CGINLOAIUPUSKO-UHFFFAOYSA-N	246.113	-0.691	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@@H]1CO	688665556	JRPLOARNSUUOOY-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ccnn1C	689552465	LSHDODIIAUJGSE-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	694562602	HZZBAOMXHMMIPS-BBBLOLIVSA-N	220.081	-0.001	50	10	BBGE	
C[C@@H](CBr)NC(=O)c1nnn(C)n1	697203257	CUGCDIVDCKXCLO-BYPYZUCNSA-N	248.084	-0.277	50	10	BBGE	
CN(Cc1ccncc1Cl)C(=O)C(=O)NN	704399239	HMVYRUOZMCDPLA-UHFFFAOYSA-N	242.666	-0.317	50	10	BBGE	
CN(C(=O)c1nnn(C)n1)[C@H]1COC[C@@H]1Cl	709265644	FNKZBSQURHDZLA-WDSKDSINSA-N	245.670	-0.712	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287630	XHHFYGHKKZZBDA-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3CNCC[C@H]32)CC1	721017851	VSTVSQQRWJUGPF-VWYCJHECSA-N	249.314	-0.281	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1cn(C2CNC2)nn1	722409672	HHGCVIYHQXKFPC-LURJTMIESA-N	243.698	-0.334	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H]3C[C@H]32)ns1	724324790	PFNNBPMQSWUQQR-NTSWFWBYSA-N	239.304	-0.264	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2OCC[C@H]2C1	724822516	NFFDZPDJRLXKPW-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
CC1=C=C(C)[C-](S(=O)(=O)NCB(O)O)S1	725448845	HONXSKKLVZUAFK-UHFFFAOYSA-N	248.114	-0.397	50	10	BBGE	
CN(CC[n+]1cn[nH]c1)[S@@+]([O])(=O)Cl	725598557	MWJCLUROTILCKG-UHFFFAOYSA-O	225.681	-0.457	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1Cl)C1=NCN=C1	725690794	RAUPIOXKUAEJKN-RQJHMYQMSA-N	229.667	-0.018	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)CC(N)=O)n1	794087031	YIONXRFMXBBXFA-UHFFFAOYSA-N	236.231	-0.974	50	10	BBGE	
Cn1cc(C=NNC(=O)[C@H]2CCCO2)c(O)n1	814242329	AKOXTBLENHXTES-MRVPVSSYSA-N	238.247	-0.245	50	10	BBGE	
O=C(O)[C@H]1CCCN1Cc1ccc(B(O)O)cc1	901451920	BJUJFVHWVDNZND-LLVKDONJSA-N	249.075	-0.585	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCN(C)[C@@H](C)C1	1321003375	FQIXANSJSVWRPI-CBAPKCEASA-N	213.281	-0.116	50	10	BBGE	
O=C(Cc1cnc[nH]1)NN=c1cc[nH]cc1	1447548813	DUQHUYAQZNCOSP-UHFFFAOYSA-N	217.232	-0.088	50	10	BBGE	
CN(NC(=O)[C@]1(C#N)CCCOC1)C(N)=O	1623316204	MCGGJRBGGGWENO-VIFPVBQESA-N	226.236	-0.652	50	10	BBGE	
CCOC(=O)C[C@@H](O)C(=O)NNC(=O)C(C)C	1628603786	JZAVABWBJKJWHT-SSDOTTSWSA-N	246.263	-0.896	50	10	BBGE	
Cn1ccc(NNC(=O)C[C@@H]2COC(=O)C2)n1	1641538123	CAZJFKYVJCNFET-ZETCQYMHSA-N	238.247	-0.184	50	10	BBGE	
N[C@@H](CCO)C(=O)NCC(Cl)Cl	1881239236	VMPXUVVOCFHEFA-BYPYZUCNSA-N	215.080	-0.384	50	10	BBGE	
C=CC1(O)CN(C[C@H](O)CBr)C1	1881283408	USTNIMRSBLPPMO-SSDOTTSWSA-N	236.109	-0.025	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1CC(=O)NN	1885841521	HBPOVKDUUXWRFK-CBAPKCEASA-N	201.270	-0.933	50	10	BBGE	
NCC1(C(=O)NC2CC(Cl)C2)COC1	1887244137	BRQIZANRIUOBMK-UHFFFAOYSA-N	218.684	-0.152	50	10	BBGE	
C#CCCCO[C@H](COC)C(=O)NN	1887821466	MTCSIKBQYUPZRW-MRVPVSSYSA-N	200.238	-0.579	50	10	BBGE	
CN(CCOC1CCC1)CC(=O)NN	1887950851	NMNLLIPVJCLMNZ-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)CS	1888571195	DOUJZKVYYUTDOC-LURJTMIESA-N	240.350	-0.135	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(CS(N)(=O)=O)C1	1891628901	ZNVCMHBWUWUDGA-RXMQYKEDSA-N	240.712	-0.639	50	10	BBGE	
N[C@H](CC(=O)NC[C@@H]1C[C@@H]1Cl)C(=O)O	1893120950	ZJMNPCGZDJAFQG-HCWXCVPCSA-N	220.656	-0.468	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)C=CC(=O)Cl	1893410901	PHISWWYRJZMSNH-RITPCOANSA-N	221.640	-0.834	50	10	BBGE	
NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)CCO1	1893453359	MMIBZPHWDGLZEO-PRJMDXOYSA-N	218.684	-0.200	50	10	BBGE	
C[C@H](OC1CCN(C)CC1)C(=O)NN	1894991322	JTSGAGDHCZUGGH-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1C[C@H]1CO	1895223119	PGNWNXVBSAILKY-RBXMUDONSA-N	225.244	-0.469	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@H]2CF)c1	1896775748	ODOFYOQMFSDDIN-SFYZADRCSA-N	225.028	-0.254	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1CN2CCC1CC2	1900898247	MUGPKYPJBPUZFI-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)CN(C)C	1904707455	HNSLSMKXXWKFKM-NXEZZACHSA-N	230.356	-0.117	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(CCN(C)C)C1	1910109673	YQSIVOLZMJOTON-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
N#CC1(O)CCN(C(=O)C=CC(=O)O)CC1	1911718559	YFWMYHZFSVJNDR-UHFFFAOYSA-N	224.216	-0.496	50	10	BBGE	
C[C@H](CCO)N(C)C[C@H]1CC[C@H](C(=O)NN)O1	1916501100	VACHBNOJQIXUSP-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1928757549	FXLBYCJQNSBCGC-BWZBUEFSSA-N	220.700	-0.348	50	10	BBGE	
NNC(=O)N1CC[C@H]2OCCO[C@H]2C1	1931634016	BEKXQAWRJNUDKH-RQJHMYQMSA-N	201.226	-0.941	50	10	BBGE	
C[C@]1(CCl)CN(CCn2cnnn2)C1=O	1931726303	SGUHLMVYOHODKS-QMMMGPOBSA-N	229.671	-0.240	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(CO)CC1	1936095057	SVRREOPNNOVUMG-UWVGGRQHSA-N	227.308	-0.683	50	10	BBGE	
CO[C@@H](COCCOCC(=O)NN)C(C)C	1936534240	NTTATGAKXFZTNK-VIFPVBQESA-N	234.296	-0.320	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@H]21	1937640139	KYOUIMWLXXVKRI-IVZWLZJFSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](CCc1nccs1)NC(=O)C(=O)NN	1938084081	YKTOPYBFXVUVRB-LURJTMIESA-N	242.304	-0.430	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2CC[C@@H]21	1938601517	SAZVVIXDNNEPRM-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
COCC1(OC)CCN(CC(=O)NN)CC1	1938615027	MKXPGRCUUMSCLO-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CO[C@H]1COC[C@@H]1Oc1ccccc1B(O)O	1942933642	GFQHXPZBEBCYPV-QWRGUYRKSA-N	238.048	-0.841	50	10	BBGE	
NC(=O)NCCCNC(=O)CCCl	1953880300	DRDHRKGQQGGNDA-UHFFFAOYSA-N	207.661	-0.210	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)CC(=O)NN)CCO1	1959102586	IIZDUSMZJZBIJE-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCN(CC)[S@](C)(=O)=NCCC(=O)NN	1960617842	LCDNIVSFLANBCK-OAHLLOKOSA-N	236.341	-0.279	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(O)(C(F)F)C1	1961594296	HKGYYMYNTXAKPP-RXMQYKEDSA-N	223.223	-0.933	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)CC(=O)NN)no1	1976748818	CZJPJQLDHGFEKQ-ZCFIWIBFSA-N	227.268	-0.422	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1ncon1	1976756417	UAXJUEDRVQLNCX-UHFFFAOYSA-N	227.268	-0.338	50	10	BBGE	
C[C@@H](N=[S@](C)(=O)N1CCCCC1)C(=O)NN	1979784705	MBPWPWBPACLSJN-BCTVWOGZSA-N	248.352	-0.137	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(O)(C(F)(F)F)C1	1980809378	JNFAOMGKNXNUPP-YFKPBYRVSA-N	241.213	-0.636	50	10	BBGE	
C[C@H](C1CC1)N(C)c1ccc(B(O)O)cn1	1981415005	ZBKIKTNVNYLYHU-MRVPVSSYSA-N	220.081	-0.004	50	10	BBGE	
COC[C@H]1C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1982141065	YSLGUJUZVHEYEU-RYPBNFRJSA-N	225.244	-0.062	50	10	BBGE	
CC1(C)CN(CCF)CCN1CC(=O)NN	1982416611	WXFKUFLQVAIQJR-UHFFFAOYSA-N	232.303	-0.658	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCO[C@H]21)C(=O)NN	1983238454	JQDDSYYEQRSUIN-UTINFBMNSA-N	227.308	-0.421	50	10	BBGE	
C[C@H](CN1[C@H](CO)[C@H]2CC[C@@H]1C2)C(=O)NN	1984193161	NICPCHMYEHPDFI-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)CCN1CCC2(CC1)CC(O)C2	1986974313	GDYYFGQRYPATND-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1(CO)CCNCC1	1991715389	UEAHXNPBHKLCCW-OWOJBTEDSA-N	246.694	-0.461	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	1992740891	RMVXYRZUOYPKSQ-MIMYLULJSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)[C@@H](C)C1	2000984837	SQQZCWXBEIFZEY-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
CCO[C@@H]1C[C@H](OC)CN([C@H](C)C(=O)NN)C1	2001046905	SFDJGBJTNTVLAB-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
Cc1cccc2c1CCN(C(=O)C(=O)NN)C2	2004323568	MQKIDCFNAIQIRH-UHFFFAOYSA-N	233.271	-0.130	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncc(B(O)O)cc2F)CO1	2004935758	PUOKHQUVXUHZQT-POYBYMJQSA-N	241.027	-0.543	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCOC[C@H]2C)n1	2005014838	RJEJKHQYIWTBFJ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC[C@H](O[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	2012098696	AXXRQLUIAXFPSV-CIUDSAMLSA-N	239.279	-0.233	50	10	BBGE	
CC(C)(CN1CC2(CC(CO)C2)C1)C(=O)NN	2013607652	DBTXAMXGGIALAI-UHFFFAOYSA-N	241.335	-0.293	50	10	BBGE	
CCOCc1nccn1CC(=O)NNC(C)=O	2019207193	CSTRYJNRAHWMBN-UHFFFAOYSA-N	240.263	-0.413	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccnn1C1CC1	2020062559	SGDOUKWEXALGKK-UHFFFAOYSA-N	235.052	-0.484	50	10	BBGE	
C=C(CN1CC[C@@H](COCCOC)C1)B(O)O	2021158794	INCFIZZNXNPAIG-LLVKDONJSA-N	243.112	-0.461	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1C[C@H]2C[C@@H]2C1	2028436937	JIBWKXOBXQHJIK-RKDXNWHRSA-N	246.075	-0.150	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]2C[C@H]1CO2	2035544662	PKGXCNYUMKLULI-RYUDHWBXSA-N	247.103	-0.270	50	10	BBGE	
Cn1cnc2c1CN(C[C@H]1C[C@@H]1C(=O)NN)CC2	2051113533	WSBMYLZDQMLAMM-BDAKNGLRSA-N	249.318	-0.596	50	10	BBGE	
CCN1CCN(c2ccc(B(O)O)cn2)C[C@H]1C	2052472193	KFQYSRRPNDHEBZ-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)[C@H]2CC[C@@H]21	2052493286	VHGVVGYTVCLBLT-RYUDHWBXSA-N	247.107	-0.956	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)ncc1B(O)O	2053735559	MAIQMQMDLHVDHJ-KBIXCLLPSA-N	245.091	-0.691	50	10	BBGE	
Cc1cccc(Cn2cccc(B(O)O)c2=O)n1	2058154556	FMHXINFFKQFCKL-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])cc(B(O)O)c1Cl	2060131435	HIEFBJSTKPOTRR-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
Cc1c(C=O)ccc([N+](=O)[O-])c1B(O)O	2060278339	FNTBUGPMPPDTTN-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
COc1cc(B(O)O)cc([N+](=O)[O-])c1C#N	2060290679	BEJFXVIHTRWZNJ-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1cc(C#N)c(B(O)O)c([N+](=O)[O-])c1	2060290731	CTHHGGQEORSOEI-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2CC[C@H]1C2	2079008156	FLRGZJHWZZMLOK-UWVGGRQHSA-N	245.087	-0.009	50	10	BBGE	
C=CCOC(=O)Nc1cc(B(O)O)ccn1	2212133171	DGQWAULPEQVYKT-UHFFFAOYSA-N	222.009	-0.504	50	10	BBGE	
CC[C@H](Oc1ncccc1B(O)O)[C@@H](C)N	2212603133	CMKOIJYPBSUEQK-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
CC(F)(F)COc1nccc(B(O)O)c1F	2212611976	GDYQTYWFEMNHAJ-UHFFFAOYSA-N	234.970	-0.066	50	10	BBGE	
OB(O)c1ccnc(NCc2nncs2)c1	2212613325	ULVWLTKDSRZXCU-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CC(C)[C@@H](O)CNc1ncccc1B(O)O	2212614754	GYAUWTGKXAUYQU-VIFPVBQESA-N	224.069	-0.810	50	10	BBGE	
C[C@@H](CCCO)Nc1ncccc1B(O)O	2212615587	RECPKCGEOYJMJE-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC[C@H]3O)C2)CCC1	2216534478	OHAKVPCRMWWOCB-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
OB(O)c1cnc(NC2(C3CC3)CCC2)nc1	2217177371	IFPPZQKKGASCHX-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCNC2)cc1B(O)O	2217180528	UGCNQNAFHWLUKC-SECBINFHSA-N	235.096	-0.909	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Nc1ccc(B(O)O)cn1	2217182703	GKGDYCWTZAITRS-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
Cc1nn(C)cc1Oc1ccc(B(O)O)cn1	2217182733	GOIIFLVYJVELLG-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
Cc1cnc(O[C@H]2CC[C@@H]2CN)cc1B(O)O	2217182837	HHFPGLHGOOIANB-SCZZXKLOSA-N	236.080	-0.814	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@H](C)CO)cc1B(O)O	2217184013	PQYZBVYTJBXPIL-RKDXNWHRSA-N	238.096	-0.501	50	10	BBGE	
C=C[C@H]1CN(c2ncccc2B(O)O)CCO1	2217185626	ZOANTCAKCAOHCI-VIFPVBQESA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1cnc(NC[C@@]23CCC[C@@H]2C3)nc1	2217194530	AQSGRCQKPAXJEL-KCJUWKMLSA-N	233.080	-0.242	50	10	BBGE	
CN1CCC[C@H]1CNc1ccc(B(O)O)cn1	2217194693	BUWKEELKMOSSDH-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccnc(N2CCOC(F)(F)C2)c1	2217197681	PNQZNJYBOQYGNJ-UHFFFAOYSA-N	244.006	-0.809	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1c1ncccc1B(O)O	2217198577	CVROYNSRYPPTJU-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cnc1=O)C1CCC1	2217413091	SFULNRJBPUHHGF-QMMMGPOBSA-N	236.080	-0.641	50	10	BBGE	
NCC[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2223629592	VORJBEXGUVRYQR-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)C1N	2223670514	ZCYDIBFFTCWZAC-RKDXNWHRSA-N	249.123	-0.819	50	10	BBGE	
NC(=O)NNC(=O)Cc1cnsc1	2241363231	FUUXGYVWQZJHMF-UHFFFAOYSA-N	200.223	-0.615	50	10	BBGE	
CC(C)(CCF)NC(=O)C#CB(O)O	2241468764	UMQDYSKNOOUWFH-UHFFFAOYSA-N	201.006	-0.744	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1CC(O)(CO)C1	2241592766	RAZYUVYPRCPHPD-PTNSZRNDSA-N	221.684	-0.137	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1CC1	2243375543	VHVVZIFNBBWUGV-UHFFFAOYSA-N	222.053	-0.920	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@@H](C)CF	2243377827	HPDLUOLRAUFRAL-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
CCO[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243391747	NVDUMLXJYGSZFK-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2243391911	ORBPRIBVOYTOJL-ODHVRURNSA-N	225.053	-0.856	50	10	BBGE	
CCOCC1CN(C(=O)C2(B(O)O)CC2)C1	2243397820	JRAYAZKYAKYNAC-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C)CCCC1)B(O)O	2243412313	KJWKTZKOLOVSPO-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
CN1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2243413902	PLVNTTSDRIIYMT-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
O=C(NCCCOC1CC1)[C@@H]1C[C@@H]1B(O)O	2243414990	LZMJBNAKECAPAD-BDAKNGLRSA-N	227.069	-0.465	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)C(F)F	2243678008	COTSEKPBSFOFMN-UHFFFAOYSA-N	232.954	-0.291	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)C1CCC1	2247738344	QIXRRYLKKWXYCW-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
CN(C)c1ccc(NC(=O)C#CB(O)O)cn1	2247743173	ZYZYXKQZGBORMD-UHFFFAOYSA-N	233.036	-0.899	50	10	BBGE	
C[C@H](C#N)C1CCN(C(=O)C#CB(O)O)CC1	2247743725	IHPQNURUDDRVMW-SECBINFHSA-N	234.064	-0.600	50	10	BBGE	
CCC1(N(C)C(=O)c2cc(B(O)O)n[nH]2)CC1	2247783466	FVJXCGNHAXMWOC-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CN(c1ccnnc1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786828	HAIBQCVARPZORD-OCAPTIKFSA-N	235.052	-0.308	50	10	BBGE	
O=C(N[C@H]1CNCC12CC2)[C@H]1C[C@@H](B(O)O)C1	2247786926	IPWMUAMHUUUVDZ-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1N	2247787000	JRQOVVVOIZOKDF-XAVMHZPKSA-N	240.112	-0.519	50	10	BBGE	
C[C@@H]1CNCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790025	FDGDHRULOLANTF-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](O)C2(CCC2)C1	2247797072	FZOFAQXZSAWWEA-VGMNWLOBSA-N	239.080	-0.777	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC2(COC2)C1	2247800940	VFDZLNJEAVABSK-UHFFFAOYSA-N	239.080	-0.512	50	10	BBGE	
Cc1cc(O)nc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2247806111	LZOIAKCHSUZRDK-NTSWFWBYSA-N	237.024	-0.708	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C	2247809182	YDCALOXJMAFNAV-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
CC12CCC(NC(=O)C#CB(O)O)(CC1)CO2	2247846632	JVYPQJUWBGOYML-UHFFFAOYSA-N	237.064	-0.780	50	10	BBGE	
C=CCN(CC=C)C(=O)c1cc(B(O)O)c[nH]1	2247846680	KNWPPTWIFDTYLV-UHFFFAOYSA-N	234.064	-0.491	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	2247848372	LCTQQJIFOVGGCD-GARJFASQSA-N	233.076	-0.280	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	2247850016	IUVAXWNSZSFBAG-AEJSXWLSSA-N	237.064	-0.924	50	10	BBGE	
O=C(N[C@@H]1CCNCC12CC2)[C@H]1C[C@H]1B(O)O	2247850857	AEZVJRSQWNTWNF-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
O=C(NCCC[C@H]1CCOC1)C1(B(O)O)CC1	2247855088	NBMAVAGRSOHDMC-VIFPVBQESA-N	241.096	-0.074	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@@H]1CN	2247856013	BMXUVEJXGXQZGP-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1CN	2247870208	GKAKQIOVIBMLEH-DTWKUNHWSA-N	240.112	-0.563	50	10	BBGE	
C=C[C@H](C)NC(=O)c1nc(C)ccc1B(O)O	2247870948	SQMSSRMYEARHQB-ZETCQYMHSA-N	234.064	-0.626	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2247873505	CITFUTPJICEGLA-CBAPKCEASA-N	237.064	-0.266	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@H]1F	2247874595	NCWLUWMFSVGVRS-RKDXNWHRSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H](CCCO)CNC(=O)C1(B(O)O)CCC1	2247878584	OJGFWTXTNYWXCW-VIFPVBQESA-N	243.112	-0.092	50	10	BBGE	
Cn1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)c1=O	2247888131	WIZVHARVXPVIFT-RNFRBKRXSA-N	236.036	-0.813	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2CC1(CO)C2	2247897657	VTRKKSAQRURPMH-RDDJWAPESA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247899354	MSMSFQFIFMDHLN-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
CC1(C)CN[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909459	JVSKIUNTTKSXEH-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
O=C(NC1(CCF)CC1)c1cocc1B(O)O	2249415734	IHEHUUCUEADNFX-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1cocc1B(O)O	2249433315	LBOFAJOZWVZUME-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)NCCC#CB(O)O	2250003192	UYFWCWQJPWNMEN-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
CC1(OCc2ccc(F)c(B(O)O)c2)COC1	2250787879	BXAYYGTVNPAHFI-UHFFFAOYSA-N	240.039	-0.189	50	10	BBGE	
CON(CC1CC1)c1ncnc(C)c1B(O)O	2251006508	ZJDNALFGOBWRBM-UHFFFAOYSA-N	237.068	-0.757	50	10	BBGE	
Cc1nnccc1CN(C)[C@H](C)CC(=O)NN	2251595882	ICSZHJXQMATMGU-MRVPVSSYSA-N	237.307	-0.015	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)o1	2255467975	UPAQZHJIBFFWFF-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1ccoc1B(O)O	2255468501	BPBKWJNFJGQOPS-MBTKJCJQSA-N	249.075	-0.122	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1cncc(B(O)O)c1	2255518638	NEIVDYFFMXSLDO-UHFFFAOYSA-N	248.091	-0.154	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C=CCC2)n1	2255724674	HGSPZAUVBZAQTI-SECBINFHSA-N	246.075	-0.482	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]32)cc1B(O)O	2255731095	ZZHHRGZBXFGMEZ-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1O	2255955086	ILFFWYIKZYQASA-MRVPVSSYSA-N	247.059	-0.834	50	10	BBGE	
NNC(=O)CCN1[C@@H](CO)C[C@H]2CCCC[C@H]21	2298232495	DOZZCNAWQQCCBG-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C(C(F)F)[C@@H]2C1	2298369164	LFTOANNCHKNZBN-BDVNFPICSA-N	245.034	-0.181	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376603	FMBDJNFYTYPVSP-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376700	JXXFRJWDYKVXHP-IMSYWVGJSA-N	240.112	-0.600	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1CC(F)(F)C(=O)NN	2299330415	BZRMKVCESBOHCR-SFYZADRCSA-N	249.261	-0.377	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@H]2C[C@]1(CO)C2	2299946274	SXPBDZXPAJETQB-BFLSOPEQSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCCc1ncco1)[C@H]1C[C@H](B(O)O)C1	2301082166	WVFRKHAYQCRFBX-ZKCHVHJHSA-N	238.052	-0.414	50	10	BBGE	
CC[C@H](CN)Nc1ccc(B(O)O)cc1C#N	2301345018	ASKSQZKSHZDLAN-SNVBAGLBSA-N	233.080	-0.613	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2301425922	FLJCVERDEDCYMK-YUMQZZPRSA-N	242.254	-0.929	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@H]2C3)ncc1B(O)O	2309539345	UIPWZZSMZGJODG-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3O)nc1	2312612177	FWMLXCBEOWXURX-HLFFCZDVSA-N	248.091	-0.667	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1[C@@H]2C=CC[C@H]1CC2	2312848242	ZJASCSPLGJTLDE-BDAKNGLRSA-N	247.059	-0.108	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H](O)C1CC1	2317162862	MGHWCGCIYRAWDO-LBPRGKRZSA-N	246.075	-0.579	50	10	BBGE	
C[C@]1(O)CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317311328	NVIGASHRJODTJT-LBPRGKRZSA-N	249.075	-0.860	50	10	BBGE	
NNC(=O)CCC(=O)Nc1nncs1	33901622	XJWLROKHRZDFDD-UHFFFAOYSA-N	215.238	-0.753	50	10	BBGE	
CC(=O)NNC(=O)COc1cccc(N)c1	38055121	STNMNLLBZFLBBD-UHFFFAOYSA-N	223.232	-0.185	50	10	BBGE	
CNC(=O)C1CCN(C(=O)NN)CC1	42489501	XLHXLFKXDXWNTK-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC(C)(C)C(N)=O	45112696	FZKYYBVKUGQAKQ-BYPYZUCNSA-N	235.671	-0.297	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](CC)C(=O)NN	82469953	YZIGYJFYXONDIC-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCCOC1	83590885	SQYLHMNEGRUGHK-RXMQYKEDSA-N	203.267	-0.723	50	10	BBGE	
COC(=O)[C@H](C(=O)CBr)[N+](=O)[O-]	106579708	DDRMGUAFPBQVET-BYPYZUCNSA-N	240.009	-0.231	50	10	BBGE	
CCCN(CCO)C[C@@H]1CC[C@H](C(=O)NN)O1	110588538	UHWTZSYWCDLZHC-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(CC(N)=O)CC1	110598672	JJXDGFQDKITDSN-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cc(C(=O)NN)co1	125432607	CFAJJJFICDMONY-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)[C@H](C)C1	127609001	PNNBWNWPBOETQI-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1c[nH]nn1	137110966	OZXOELYVOBTQIW-YFKPBYRVSA-N	218.644	-0.212	50	10	BBGE	
CNC(=O)NNC1=c2ccc(C)c(C)c2=NC1=O	147096471	WMDVXLDDFUTKDN-UHFFFAOYSA-N	246.270	-0.995	50	10	BBGE	
O=C1CC[C@@H]2CN(C[C@H](O)CCl)CCN12	163206459	LUIYOILTHWJTQO-RKDXNWHRSA-N	232.711	-0.107	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(C(=O)CCl)C2)N1	167883214	XXFDGNKVZIDEPC-QMMMGPOBSA-N	231.639	-0.964	50	10	BBGE	
OB(O)c1ccc(F)c(OC[C@H]2CCOC2)c1	229339029	GJRONBBFFWJLNI-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
CO[C@H]1CCCN([C@@H](C)C(=O)NN)C1	230357432	MMDHJCCDCNCBAX-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=S(=O)(CCCl)NCc1ncon1	231843199	CLXNJKGGKGITRL-UHFFFAOYSA-N	225.657	-0.272	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCCC[C@H]2C1	251583870	NUKRPSBTQZJLMZ-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)N1CC(=O)OC(=O)C1	300365513	JPCFTVWCZJINOB-XVKPBYJWSA-N	213.233	-0.061	50	10	BBGE	
NC(=O)CS(=O)(=O)CCCBr	300759526	LMEBLSSRZHYMBT-UHFFFAOYSA-N	244.110	-0.329	50	10	BBGE	
NC(=O)C[C@H](NC(=O)CCl)C1CC1	308200516	XVOWMGHPVXVWFJ-LURJTMIESA-N	204.657	-0.005	50	10	BBGE	
CC[C@H]1CN([C@@H](COC)C(=O)NN)CCCO1	310028275	YBMXXTNWJMUFHF-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)c1ccc(=O)[nH]n1	323124692	MXBCKJRADNCATB-IYSWYEEDSA-N	243.650	-0.494	50	10	BBGE	
NNC(=O)CCCCN1CCN2CC[C@H]1C2	381766781	IMZWNFRMFKYLCP-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
C[C@H](N(C)C[C@@H](C)C(=O)NN)C(C)(C)O	382942058	JICMCHRQZUFJST-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)C1CCC1	384838035	HLYQUPJCMDUDGF-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)CC(F)F	386628041	FQAVYMSQUUFNBQ-UHFFFAOYSA-N	234.206	-0.025	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388232246	YHWJUPYBNBIOGG-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)C[S@@](C)=O	388793987	MQIDYLUJEOEYOL-OLZXVPHOSA-N	206.267	-0.832	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@@H](O)C1	395820836	RRZMNWJOUSNIAY-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(O)cc1B(O)O	396020415	IBXOYQSDTFMGRV-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
O=Cc1cc(B(O)O)c2scc(CO)c2c1	396340802	SGLWHBVROYXASJ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(CC[S@](C)=O)C[C@@H](O)CCl	398849495	QDFFREMOYNGSNN-MADCSZMMSA-N	213.730	-0.104	50	10	BBGE	
CCc1cnn(C[C@H]2CC[C@H](C(=O)NN)O2)c1	402038621	HTXQQWUYWMFBNK-NXEZZACHSA-N	238.291	-0.017	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)c1ccnn1C	402785031	SEVJKNCVZWGRHI-SSDOTTSWSA-N	241.251	-0.678	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CCC[C@@H]21	584948571	IGUWTRVNLFEALT-JQWIXIFHSA-N	245.087	-0.009	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(C)(CO)CO	689878705	YUDMNEVUTYXOFW-SECBINFHSA-N	247.339	-0.932	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(N2CCCC2)C1	697800352	KKFQZGSYBBGRPE-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](C(F)(F)F)C1	698948621	GSYFXTFVHYZHHY-WDSKDSINSA-N	241.213	-0.372	50	10	BBGE	
NC(=S)NNC(=O)C[C@@H]1CCCCO1	700865649	KAHYIZCOFIETIJ-LURJTMIESA-N	217.294	-0.190	50	10	BBGE	
Cc1cc(C)cc(S(=O)(=O)NCB(O)O)c1	701951174	QMEWORDZJCCRQD-UHFFFAOYSA-N	243.093	-0.406	50	10	BBGE	
CCO[C@H](COCC(=O)NN)C1CC1	703561541	KFCQCQXXCBKJBU-MRVPVSSYSA-N	202.254	-0.192	50	10	BBGE	
CSC[C@@H]1CCN(C(=O)C(=O)NN)C1	706394824	BFFRCZZBNWMNKV-ZCFIWIBFSA-N	217.294	-0.812	50	10	BBGE	
CCCO[C@@H]1CCN(CCC(=O)NN)C1	706421001	YQMDZSAPSIOKJS-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
COC[C@H]1CN(CC(C)(C)C(=O)NN)CCO1	706718456	ZHVXGAMBISVBMX-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
CN(C)C[C@H](O)CNS(=O)(=O)CCCl	717375611	JSZVYAVGILDKHO-SSDOTTSWSA-N	244.744	-0.933	50	10	BBGE	
NNC(=O)N1CCC[C@](O)(C(F)(F)F)C1	718909322	JHKMYGNCJXVJKO-ZCFIWIBFSA-N	227.186	-0.041	50	10	BBGE	
CN1CCC[C@H]2[C@H]1CCN2CC(=O)NN	720446233	OCSIFDVPXVDIQI-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)[C@@H](C)C(=O)NN	724129357	WDDRSIJVZDTLCM-XLPZGREQSA-N	201.270	-0.526	50	10	BBGE	
CCC(=O)NNS(=O)(=O)c1ccnn1CC	769862573	LUCGHPZQDDLIAQ-UHFFFAOYSA-N	246.292	-0.378	50	10	BBGE	
CC1(C)COCC1=NNC(=O)[C@@H]1COCCO1	834960478	QQVYJHNLDCUSCD-QMMMGPOBSA-N	242.275	-0.070	50	10	BBGE	
O=[S@@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCl	846013427	BJEPGRXATLRSPC-AWXIBCPOSA-N	243.737	-0.282	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1cnnn1C	854410092	SPOKJRHUGPZVKH-UHFFFAOYSA-N	227.224	-0.913	50	10	BBGE	
O=C(COCC(F)F)NNC(=O)NC1CC1	858778663	RDVPRBPBGZOSKI-UHFFFAOYSA-N	237.206	-0.239	50	10	BBGE	
CNC(=O)NCC(=O)NN(C)c1ccccn1	862750054	NVWWAUPIVFIAKC-UHFFFAOYSA-N	237.263	-0.522	50	10	BBGE	
CC[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)CO1	863183445	ANRHVIQALQLZAT-MRVPVSSYSA-N	248.304	-0.298	50	10	BBGE	
C[C@H](NC(N)=O)C(=O)NNc1ccc(C#N)cn1	1303434117	JTCMZSOAZVKHRH-LURJTMIESA-N	248.246	-0.547	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)c1cccnc1	1306200024	CRGPXNAIHUIIJI-VIFPVBQESA-N	247.254	-0.119	50	10	BBGE	
NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12	1332450192	CXOOSEINYUKPPF-QJPVPEOBSA-N	204.229	-0.697	50	10	BBGE	
NC(=O)C(=O)NNC(=O)NCc1ccccc1	1352216043	GPUHVFXRNBZGFM-UHFFFAOYSA-N	236.231	-0.998	50	10	BBGE	
CCN(CCO)NC(=O)C[C@@H]1CCC(=O)NC1	1631048095	YDIYWPUCWHCHHP-VIFPVBQESA-N	243.307	-0.752	50	10	BBGE	
CCO/C=C\C(=O)NN(C)C[C@@H](C)O	1642192817	NGSXGZMVZGLONX-RPSMYOMKSA-N	202.254	-0.120	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@H](O)[C@H](O)C1	1887704652	PVXFOSDJFZKWLU-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
O=C(NCC1(O)CNC1)C1CC(Cl)C1	1893482573	WIUTZNYJVBFJRA-UHFFFAOYSA-N	218.684	-0.546	50	10	BBGE	
NC1[C@@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@@H]12	1893505488	WEMYRADSUXKSMK-IYTQHBPKSA-N	214.652	-0.277	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3C[C@@H]32)nc1	1895125239	BBNKHGZQDJCBSE-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
CN(NC(=O)[C@@H]1NCCC1(C)C)S(C)(=O)=O	1901338722	BOTFSOXCCCEKDH-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2OC	1901880132	VEWGMFIAYQGNQH-KATARQTJSA-N	227.308	-0.136	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2ccno2)C1	1902511532	IDIPIPIXACUFAO-SECBINFHSA-N	224.025	-0.246	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1CSCCO1	1902521792	KGBZJPPLSZMGMY-DJLDLDEBSA-N	246.332	-0.239	50	10	BBGE	
C#CCC1(C(=O)N2CC[C@H](B(O)O)C2)CC1	1902522056	MOMBOMGFVWCPTR-VIFPVBQESA-N	221.065	-0.135	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2COC[C@@H]21)C(=O)NN	1902707678	SXKGCFMBDQIVBX-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1CO2)C(=O)NN	1902716711	WFRRVTOMBILNRX-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
O=C1CN(C[C@H]2O[C@H]3CC[C@H]2C3)CC(=O)O1	1905127056	UJLAPECWQXZLIN-XHNCKOQMSA-N	225.244	-0.061	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CC(=O)NC1=O	1905558338	FFHQWNBPDANPMM-WHFBIAKZSA-N	218.640	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@](F)(CO)C1	1905605062	LCFNKDNVTCGKQS-IQJOONFLSA-N	245.298	-0.591	50	10	BBGE	
CO[C@@H]1C[C@H]1COCc1cccc(B(O)O)c1	1910885948	YGZHPPAKQRPNSV-CMPLNLGQSA-N	236.076	-0.082	50	10	BBGE	
CC[C@H]1CCN(CCOCC(=O)NN)CCO1	1913639992	RSZZHDOANDTPER-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
OCC1(CO)CN(CCBr)C1	1914988300	YBXMEHIQPBVUBU-UHFFFAOYSA-N	224.098	-0.332	50	10	BBGE	
CC(C)(C)[C@@H](SCCNCCN)C(=O)NN	1923485670	RZSDJTOBIFJGIC-QMMMGPOBSA-N	248.396	-0.328	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927919469	JBCWPDCZXYNGNE-XHNCKOQMSA-N	208.265	-0.542	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)C1CN(C)C1	1929070181	IDJZFIBJMKGZTM-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
CC(C)OCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936094717	PKRDQLIZDQEHLL-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@@H](N=C=O)CC1	1937280223	XLFQCJSYJMILEI-SECBINFHSA-N	247.320	-0.017	50	10	BBGE	
C[C@@H](CN1CCN(C)CC1(C)C)C(=O)NN	1937790204	BQXXDVRKCDKEEA-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)S1(=O)=O	1937869981	OJIPQKMKCSSZIL-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CN(Cc1ncccn1)CC(F)(F)C(=O)NN	1940867422	MRAHIPCDFBTUNS-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CO)CC1	1941094974	QKTHQTYRGKUUED-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@H]1CCO	1941784289	MPSRDCGBEUAKAA-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCCC[C@H]21	1943002845	NRCSLYVPTANCIW-DTWKUNHWSA-N	241.291	-0.606	50	10	BBGE	
CCC[C@@]1(O)CCN([C@H](COC)C(=O)NN)C1	1945564525	OTPROQPPAOOALV-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@H]1Br	1951328761	ZCCPVHYRAIZXCB-QWWZWVQMSA-N	214.084	-0.494	50	10	BBGE	
CN(CCF)c1nc(B(O)O)cs1	1954093093	JAYORTFVGWIBSG-UHFFFAOYSA-N	204.035	-0.771	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)C[C@@H](CO)O1	1956256082	IPOFUFBOVXTPOK-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1960271106	AKPQMIMKUXJBJQ-SFGNSQDASA-N	213.281	-0.931	50	10	BBGE	
Cc1ccnc(N2CC[C@H]2C)c1B(O)O	1961691013	LWXRZAAGHMUQKR-MRVPVSSYSA-N	206.054	-0.332	50	10	BBGE	
CC1(CN2CCC(O)(C#N)CC2)CNC1	1961865010	MLAPSKPFCDMPAI-UHFFFAOYSA-N	209.293	-0.054	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961926418	MUOJTHNMEDRYRT-CVPUBMOQSA-N	235.711	-0.598	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)cc2)CC1	1963751244	JGJNZIJDRAHSOB-UHFFFAOYSA-N	229.044	-0.738	50	10	BBGE	
CCN(Cc1c(C(=O)NN)cnn1C)OC	1980591702	AZXXOFMQHMCARL-UHFFFAOYSA-N	227.268	-0.593	50	10	BBGE	
CCON(c1ncccc1B(O)O)C(C)C	1981424360	SEZKRRGMYVXXDP-UHFFFAOYSA-N	224.069	-0.072	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ccc(B(O)O)cn1	1981429942	JNHNJMLNMPGYNE-CBAPKCEASA-N	223.037	-0.825	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@@H]2C)ncc1B(O)O	1981446345	XGYDAYCYYNQSDZ-SVRRBLITSA-N	221.069	-0.691	50	10	BBGE	
Cc1cc(N2CC3(CC3)C2)ncc1B(O)O	1981471689	KESHKFFJHXYNHJ-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
C=C1CC(Cn2cc(B(O)O)ccc2=O)C1	1985525826	ONQFQKBHXIIEHC-UHFFFAOYSA-N	219.049	-0.506	50	10	BBGE	
COc1ccsc1C(=O)NCC#CB(O)O	1992167273	HQYLKYATGWWUIR-UHFFFAOYSA-N	239.061	-0.498	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)C12CCC2	1993528343	JLHBUOQRTWTHFY-LURJTMIESA-N	235.234	-0.789	50	10	BBGE	
Cc1nn(C[C@@]2(F)C[C@H]2C)c(C)c1B(O)O	1995033276	DULFBAJEBLUQON-LDWIPMOCSA-N	226.060	-0.072	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CO)CCCC[C@@H]12	2000944911	RTFRCALXTNKMJI-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477498	KCUQFHNLUIKQIA-JDUUOCRZSA-N	241.335	-0.296	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N[C@H]2CC[C@@H]21	2002912002	ATVVRQNUYPPCQS-XHNCKOQMSA-N	240.307	-0.892	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCn1cncn1	2003834247	AOXNZAAGEIGYEX-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)[C@H]1CCNC1=O	2004314848	UKAJVDSXVPTQJI-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](n2cccn2)C1	2004328580	XSNPIWBVEACWLI-NXEZZACHSA-N	237.307	-0.102	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@]3(C)C2)n1	2005015370	ZKWQKHBBSPZCNR-LDYMZIIASA-N	233.080	-0.689	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1CC1(C(=O)NN)CC1	2011348394	MLBVJERKAUSQEP-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@@]1(O)CCOC1	2013284963	TZXVFRPQHNVJDZ-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2C[C@@H]2F)n1	2014735071	LMUGRDBRSTVZSC-APPZFPTMSA-N	239.059	-0.741	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2[C@H]3COC[C@H]32)c1	2015139594	XBRPEJMZSDLKLH-GDNZZTSVSA-N	234.060	-0.362	50	10	BBGE	
CCc1cc(CN(C)[C@@H](C)C(=O)NN)n(C)n1	2017403506	HPYMRVSETROXGL-QMMMGPOBSA-N	239.323	-0.207	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3C[C@H](C2)O3)on1	2021436223	ZUYZOYAAKLOXKT-KNVOCYPGSA-N	238.247	-0.749	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2C[C@@H]2C1=O	2050247112	PHSAJWJTCKQYRJ-BQBZGAKWSA-N	249.274	-0.998	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1ccnc(B(O)O)c1	2086425203	QMMZMXUFEUVLEQ-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@@H]1CCNC1	2209391296	INTHTHLHWRCHEJ-RNFRBKRXSA-N	203.311	-0.150	50	10	BBGE	
COCCOC[C@H]1CC[C@H]1C(=O)NN	2209905675	CCCROHVDQZEZFU-HTQZYQBOSA-N	202.254	-0.335	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@H]1CC[C@H]1C(=O)NN	2211838692	KHXCXACLDONQPS-IWSPIJDZSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCc2ncsc21	2212078836	ZZNHRXNPOCQPMJ-LURJTMIESA-N	240.288	-0.373	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1CCC1	2212613405	VHUUPBIIVYIVGU-SSDOTTSWSA-N	221.069	-0.243	50	10	BBGE	
CC(C)[C@@H](CN)Nc1ncccc1B(O)O	2212615398	OJDKQFFWYMSFFL-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@@]2(F)C1	2216597340	IBOQYPQRDWHRFD-LDYMZIIASA-N	236.055	-0.300	50	10	BBGE	
N[C@H]1CCC[C@@H]1COc1ccc(B(O)O)cn1	2217184611	QIMCOBFMZZQKCF-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
CC(C)C[C@H](CN)Oc1ccc(B(O)O)cn1	2217187882	GKKUSZSHDCRILO-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
CC[C@@H](N)[C@@H](CC)Oc1cc(B(O)O)ccn1	2217193666	OHVONGJGRDKJFH-NXEZZACHSA-N	238.096	-0.344	50	10	BBGE	
CC1(C)CN[C@H]1COc1cc(B(O)O)ccn1	2217195538	LFQZMNUYDCVSIC-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)CO1	2217197154	KLKOWMCEKQPEIR-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
Cc1ncc(F)c(=O)n1CCCCC(=O)NN	2217268873	XFTJYBWONPYACE-UHFFFAOYSA-N	242.254	-0.149	50	10	BBGE	
O=C(NCCC1(O)CC1)c1ccccc1B(O)O	2219929117	CJHHZHUTBDNWQZ-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
Cc1cnc(N(C)Cc2ncon2)cc1B(O)O	2223654234	YRPTUVOOISWARR-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CNCC12CCC2	2223676258	YWWATCHELLHWKK-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
N#C[C@@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2223678042	WLPPOKOZTWDPFB-SNVBAGLBSA-N	245.091	-0.109	50	10	BBGE	
CS[C@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241481062	QSQDXWVZRHAGFZ-VQVTYTSYSA-N	217.099	-0.283	50	10	BBGE	
CC(C)(CCO)NC(=O)C1(B(O)O)CCC1	2243348064	SMQJYBXIXHWTJR-UHFFFAOYSA-N	229.085	-0.339	50	10	BBGE	
C[C@H](NC(=O)c1cscc1B(O)O)C1CC1	2243348181	UXAQODRWCARECQ-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC(F)(F)CC1	2243356731	MFWURYVMDFPHGS-UHFFFAOYSA-N	231.007	-0.350	50	10	BBGE	
O=C(Nc1ccc(O)nc1)[C@H]1C[C@@H]1B(O)O	2243383203	VOCLLNCCRHQJII-BQBZGAKWSA-N	222.009	-0.411	50	10	BBGE	
CCC[C@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390710	ABBAQWHNWVQOED-IWSPIJDZSA-N	228.101	-0.517	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2243392423	TWBSDGRHYUWSFB-XUTVFYLZSA-N	231.032	-0.908	50	10	BBGE	
O=C(Nc1cncnc1)[C@H]1C[C@H](B(O)O)C1	2243427672	YYNNYJILBGDZKN-LJGSYFOKSA-N	221.025	-0.332	50	10	BBGE	
C=CCC(=O)N[C@@H](C)c1nscc1B(O)O	2243665896	WYMBDEVEODSAEA-LURJTMIESA-N	240.093	-0.424	50	10	BBGE	
C[C@H](C(=O)NN)N1CCc2cccnc2C1	2245437433	YQEWGAFPUHCPMN-MRVPVSSYSA-N	220.276	-0.182	50	10	BBGE	
CC(C)(CO)Nc1cc(B(O)O)c(Cl)cn1	2245913215	NWZKJPLEDFALPE-UHFFFAOYSA-N	244.487	-0.402	50	10	BBGE	
COC[C@@H](CNC(=O)C1(B(O)O)CCC1)OC	2247734174	FXYTWMJKXNIMRC-MRVPVSSYSA-N	245.084	-0.839	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC[C@@H](C)F	2247735293	YMPCHKGGKZLCJO-ZCFIWIBFSA-N	243.043	-0.254	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@@H](C2CC2)O1	2247740811	PZCYZBOMHPQTPJ-ZJUUUORDSA-N	237.064	-0.924	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cc(B(O)O)c[nH]1	2247744181	OSWNTJXQZSJAAL-SECBINFHSA-N	234.064	-0.774	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CC2)CCN1	2247758023	UBGQEBOWKOWQKP-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
CCCCCNC(=O)c1cncc(B(O)O)c1	2247774780	CLECTNCWBZGYTM-UHFFFAOYSA-N	236.080	-0.319	50	10	BBGE	
CNC1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247798484	UOBOOGKTRRQVBQ-HORUIINNSA-N	240.112	-0.504	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805466	BRXNNQKERGUWLF-QXEWZRGKSA-N	243.112	-0.237	50	10	BBGE	
CN1CC[C@@](C)(NC(=O)C2CC(B(O)O)C2)C1	2247807004	GWHDIEPFSXSLRW-NWGYLPEXSA-N	240.112	-0.550	50	10	BBGE	
CC(C)OCC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810449	XNGMOQXZDJNOCB-NXEZZACHSA-N	241.096	-0.267	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247846405	GFYBUAHMIVKLFM-JTQLQIEISA-N	240.043	-0.731	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCC(F)(F)[C@H]2C1	2247846824	MSVLIHCJFZIQOH-SFYZADRCSA-N	243.018	-0.495	50	10	BBGE	
CC[C@H](C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247849636	CKKDPCABEUIQND-QMMMGPOBSA-N	238.096	-0.187	50	10	BBGE	
CC(C)CCCNC(=O)c1cc(B(O)O)c[nH]1	2247850067	JHDITYWXWQOWFY-UHFFFAOYSA-N	238.096	-0.140	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1c[nH]nc1B(O)O	2247852030	NWMLQTDQGCSIMS-UHFFFAOYSA-N	237.068	-0.969	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)c(C)c1	2247852177	PVKOYOLRKJIZMJ-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CO[C@H]2C[C@@H]1C2	2247872436	RXHLEMFDGSOVIX-HRDYMLBCSA-N	239.080	-0.371	50	10	BBGE	
CC1=CCN(C(=O)c2coc(B(O)O)c2)CC1	2247872683	XFSSNGVDWFDRMF-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CCC1(CNC(=O)c2occc2B(O)O)CC1	2247879594	WBWIJBWDGHFUKA-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC=C(F)C1	2247880022	ZZAHUSXXAAGOTI-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
C[C@]12CO[C@](CNC(=O)[C@@H]3C[C@@H]3B(O)O)(C1)C2	2247886313	ANISCJBFJNLLKA-MKHNBGRSSA-N	239.080	-0.465	50	10	BBGE	
CCC[C@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901763	AFAGSUNFMVKOIO-AEJSXWLSSA-N	243.112	-0.093	50	10	BBGE	
CC#CC(=O)N1CCc2ccc(B(O)O)cc21	2248407243	HDRRTGFBGLTNJA-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248573897	LEVVYLAGHOJLHB-CSMHCCOUSA-N	243.068	-0.391	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H]1C(=O)O	2248579127	XZWYGOTTXQYOHK-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)CC1CC(NC(=O)C2(B(O)O)CC2)C1	2248586644	DVFFDOTZXYGUKH-UHFFFAOYSA-N	241.052	-0.637	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NOC(C)C	2248968402	MAUABVXMLBYYAQ-UHFFFAOYSA-N	238.052	-0.860	50	10	BBGE	
COc1nn(C(C)C)cc1NC(=O)C(=O)NN	2250095102	HVHSXVBJZHRVAW-UHFFFAOYSA-N	241.251	-0.599	50	10	BBGE	
COCC1(C)CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2251479855	UWNGXDYVNINTPC-GWMJWBFUSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C1CC=CC1	2255457914	KMWBLUAYJZALLZ-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1ccoc1B(O)O	2255462571	XFZKNJJHLNQVBL-MRVPVSSYSA-N	249.075	-0.169	50	10	BBGE	
NCCCc1ccccc1NC(=O)C#CB(O)O	2255465270	IIAOCNRAVNANQQ-UHFFFAOYSA-N	246.075	-0.468	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)c2cccnc2O1	2255472943	ITAIPXPIXFZOCK-QMMMGPOBSA-N	246.031	-0.789	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cc1C#N	2255474186	QFYUKFCSWIYOEN-UHFFFAOYSA-N	242.043	-0.502	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@@H]1C	2255500065	GSTOTKUQLAWKQG-OIBJUYFYSA-N	249.075	-0.487	50	10	BBGE	
C#CC1CN(C(=O)c2cccc(C)c2B(O)O)C1	2255513064	KRVKHRMNBNLIIE-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
CC12CCC(CC1)N2C(=O)c1n[nH]cc1B(O)O	2255555064	VSTCUUHKOYGKAL-UHFFFAOYSA-N	249.079	-0.753	50	10	BBGE	
C=CCCCCNC(=O)c1ncccc1B(O)O	2255691766	QDAGJMMTGRHIIX-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)C#N)ccc1B(O)O	2255693407	ZYLNBJUSNWDUOE-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@H]1C2	2255716297	BSSYLVCPWVPXQQ-WPRPVWTQSA-N	248.091	-0.671	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1C[C@@H]2C[C@H]2C1	2255730097	GPOIJXPCYGTQFY-YUMQZZPRSA-N	248.091	-0.767	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ncc(B(O)O)cn1	2255777383	ZFMRYFBUMPFPDK-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)cc1O	2255935657	FLGVILBNSVCUDI-SECBINFHSA-N	247.059	-0.786	50	10	BBGE	
C=CCCN(C)C(=O)c1ccc(B(O)O)cc1O	2255936633	LJTHCWWBHIYPLJ-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2nccnc2B(O)O)C1	2256063546	ZHJNWZVUJYKFGB-HTQZYQBOSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]1C1CCC1	2258122050	XFCFMQQATABDJJ-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2ncco2)n1	2263392998	CXVKXWRQZAIUHJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1[C@@H]2CCO[C@@H]21	2297038875	RSSOZHDYIUOWLS-ACZMJKKPSA-N	225.697	-0.068	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21	2298367862	YVBOIOBHIXHRTP-HPENLJRUSA-N	233.076	-0.495	50	10	BBGE	
CC1(C)NCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371643	QUUVYOUMEOACQC-DJLDLDEBSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H](CCCC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298463178	VQJMTTXAKQSUCC-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
CCN(C(=O)CN1CC[C@@H](B(O)O)C1)C1CC1	2303100428	ZSVWENFHYYAXOT-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
CCC(=O)N(C)C1CN([C@@H](CC)C(=O)NN)C1	2307301301	FNTUDRQGSJDCHS-VIFPVBQESA-N	242.323	-0.693	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3n[nH]cc3B(O)O)[C@@H]1C2	2312856278	BLITWSRUMFHQCU-RASWFIQWSA-N	249.079	-0.992	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2[C@H](C)C[C@H]2C)n1	2316993743	HAHFQVLBCUEGKT-HTQZYQBOSA-N	249.123	-0.054	50	10	BBGE	
CC(C)CNC(=O)C(C#N)=CNCCO	2324620681	YOPCOCBHSDYPMY-UHFFFAOYSA-N	211.265	-0.252	50	10	BBGE	
OCCN(CCO)CCBr	40991509	BDWBVUZZYJAMPN-UHFFFAOYSA-N	212.087	-0.332	50	10	BBGE	
CC1=CC(C)=C(C#N)/C(=C2\C(=O)NN=C2N)N1	82296001	ANQYJUHTNAXPAY-CMDGGOBGSA-N	229.243	-0.010	50	10	BBGE	
CN(C)/C=N/C(=C(\C#N)C=O)N1CCOCC1	82302268	DNRCRNHFFDDLQG-HBUXTHHFSA-N	236.275	-0.157	50	10	BBGE	
C[C@](O)(CO)CNC(=O)CCCCl	85254637	RSUWZNPIXXEAIV-MRVPVSSYSA-N	209.673	-0.135	50	10	BBGE	
Cc1ccc2c(c1)C(=O)C(=O)N2CCC(=O)NN	104122778	HJLDBKLTQQMMJZ-UHFFFAOYSA-N	247.254	-0.096	50	10	BBGE	
NC[C@@H]1CCN(Cc2ccc(C(=O)NN)o2)C1	110577676	VXCVLIGXTZPARP-QMMMGPOBSA-N	238.291	-0.336	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@@H](Cl)C#N)nnc21	139600959	BDJSBPGOFDGFHS-YFKPBYRVSA-N	238.638	-0.344	50	10	BBGE	
CN(C)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	149043074	UUNPUTAHNXGAAI-YFKPBYRVSA-N	233.224	-0.920	50	10	BBGE	
CCC[C@@H](Oc1cnn(C)c1)C(=O)NN	161339297	VGHORGREVHAQBO-MRVPVSSYSA-N	212.253	-0.043	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CO)C1	166152696	RMHXJPJBPGSPMF-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CCCCO2)c1	203524263	YFYIGSCRDPXPSV-SNVBAGLBSA-N	237.064	-0.291	50	10	BBGE	
CN(C=O)CCc1ccc(F)c(B(O)O)c1	208613830	HAVQSLYOOZYVSU-UHFFFAOYSA-N	225.028	-0.864	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCN(C)C(=O)C1	229085740	IJBAVUCYLMDOFG-SNVBAGLBSA-N	242.323	-0.835	50	10	BBGE	
CC[C@H]1OCC[C@@H]1C(=O)NNC(N)=S	234094823	ZWPSHBSUEWBPSK-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
NC(=O)NCCNc1nnc(CCl)o1	236168463	BZMAJZHFSMBTRB-UHFFFAOYSA-N	219.632	-0.111	50	10	BBGE	
C[C@@H]1CN2CCCC[C@H]2CN1[C@H](C)C(=O)NN	251823865	PCUJOJKAIKVJJB-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
CCO[C@@H]1CCCN([C@H](C)C(=O)NN)C1	252417997	UFHXFQVBZNESTC-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COc1cc([C@H]2C(=O)NC(=O)[C@H]2Cl)nn1C	300886768	AWZUOUGOEPOYFE-RQJHMYQMSA-N	243.650	-0.224	50	10	BBGE	
C[C@H](O)[C@H](C)NS(=O)(=O)CCl	307646560	BMDFQPKFHSDVLS-WHFBIAKZSA-N	201.675	-0.129	50	10	BBGE	
CC(=O)Cc1ccc([N+](=O)[O-])c(B(O)O)c1	396054217	IYJFCCWPVBZKQM-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
CC(=O)c1cccc2oc(B(O)O)nc12	396110718	HGQGSNWTPLYDKW-UHFFFAOYSA-N	204.978	-0.290	50	10	BBGE	
N#Cc1csc2cc(CO)cc(B(O)O)c12	396224023	OSEMBIPJFSPKQP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cc(B(O)O)c(O)c2sccc12	396376796	FASABTKDGMEMRU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C1CN(CCOC(F)F)CC(=O)O1	398187290	ILSVJMGLFOMDMG-UHFFFAOYSA-N	209.148	-0.389	50	10	BBGE	
CN1CC2(CCN(CCCCC(=O)NN)C2)C1	398748928	PXSOXGYXGHBOGG-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
C[C@H](CN1CC(OC(F)F)C1)C(=O)NN	399901684	FODIVWVXLZBMIC-RXMQYKEDSA-N	223.223	-0.464	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC[S@@](C)=O	399928150	RIGFVEZUYHCARC-VJGMYXETSA-N	235.353	-0.689	50	10	BBGE	
O=C(CC1CC1)NCc1sccc1B(O)O	404993001	DGTGBFNLHBMVHI-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	405003421	PCXJZKZCLDVVFT-YUMQZZPRSA-N	219.049	-0.039	50	10	BBGE	
CCOCC(=O)Nc1ccc(F)c(B(O)O)c1	405045521	CTQXHYHBQLDNOA-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)CC(C)C	526870408	JFIKIXATSRCYQD-CQSZACIVSA-N	220.294	-0.442	50	10	BBGE	
OCc1c(B(O)O)ccc(S)c1F	575704423	AKJPUOCCQHQBHE-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)O1	585067617	YUGMVLJFROLMIJ-IWSPIJDZSA-N	227.069	-0.371	50	10	BBGE	
Cn1c(=O)ccn(C[C@@H](Cl)C#N)c1=O	606283556	OJVZRLFMARPFAB-LURJTMIESA-N	213.624	-0.322	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCCO2)CC1	685987045	BJWHJGWTVPTOIU-SNVBAGLBSA-N	226.276	-0.248	50	10	BBGE	
NC(=O)NNC(=O)Cc1cn2ccsc2n1	700872166	BNXXPIOGHCLPDF-UHFFFAOYSA-N	239.260	-0.362	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@@H]1CO	703792700	HBJWPCXZSDALBW-RNJXMRFFSA-N	204.657	-0.455	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)C[C@H]1C	706103524	SYIPLBUZLDDLKK-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
BrCCNCCn1cnnn1	712552267	NMEJFYAYDMIKOR-UHFFFAOYSA-N	220.074	-0.342	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCCn1cnnn1	712593571	ZVLYEYIYMNYVOC-LURJTMIESA-N	233.659	-0.957	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H](C1=O)C2(F)F	715544414	CUUUZILUGPJMHQ-FSPLSTOPSA-N	233.218	-0.520	50	10	BBGE	
NNC(=O)c1nc(Cn2cccn2)ns1	724348074	SUMHDXBHNPCZEV-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)c1cccnc1	730090485	DBPIJOWHDWZZCW-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
O=C(NNC(=O)C1[C@H]2CCC[C@H]12)c1cnn[nH]1	748849372	KULHAXNKNZRCCJ-WDSKDSINSA-N	235.247	-0.388	50	10	BBGE	
COc1cccc(C(=O)NNC(=O)CO)c1O	753444982	SSKUMNPYQFSXET-UHFFFAOYSA-N	240.215	-0.846	50	10	BBGE	
NC(=O)CC(=O)NNc1nc2ccccc2[nH]1	770060482	XGDAEMVGVOYSJR-UHFFFAOYSA-N	233.231	-0.119	50	10	BBGE	
CN1CCN(C(=O)NN=Cc2cncnc2)CC1	814912577	YCVHWXVAYPIAJG-UHFFFAOYSA-N	248.290	-0.233	50	10	BBGE	
COCC(=NNC(=O)c1cn(C)nn1)C1CC1	853385691	HEDWHPDNZAKLDG-UHFFFAOYSA-N	237.263	-0.043	50	10	BBGE	
C/C(Cl)=C\C(=O)NNC(=O)[C@@H]1COCCO1	900909625	ZVGWITODVBIWRO-KNIZRNDPSA-N	248.666	-0.308	50	10	BBGE	
COC1(C(=O)NN(C)C[C@@H](C)O)CC1	910140068	GTJWNTBIBODXGX-SSDOTTSWSA-N	202.254	-0.491	50	10	BBGE	
Cn1cc(CCC(=O)NNc2ccncn2)nn1	1118709394	JUWKDKMMGFYALB-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCCN1C(N)=O	1157606007	HGBFHIWYWLVWCB-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
C[C@@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	1290713242	YUAWRGNGUUODDQ-CZRQKWQQSA-N	234.259	-0.176	50	10	BBGE	
CC(=NNC(=O)CCO)[C@@H]1COCCO1	1319308306	QVSUVJRPZWXBRB-QMMMGPOBSA-N	216.237	-0.724	50	10	BBGE	
CC(=O)NNC(=O)C1C[C@H]2COC[C@@H](C1)C2=O	1463819227	GUXJBEGMEMFANZ-CBLAIPOGSA-N	240.259	-0.605	50	10	BBGE	
C=CCNC(=S)NNC(=O)c1ncc[nH]1	1628565949	FLKGDZVCPSRRHJ-UHFFFAOYSA-N	225.277	-0.295	50	10	BBGE	
COc1ncc(C(=O)NNc2cnnn2C)cn1	1648816023	IQOWABSDTOSGEM-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
CN=C(NN)NC1CC(Br)C1	1880296491	FWIGEHBOSPZBEB-UHFFFAOYSA-N	221.102	-0.049	50	10	BBGE	
C[C@H](CCCl)C(=O)NC(CO)CO	1882474905	KXGUXFYUULXCLQ-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)CCO	1883266804	IMLUCWHJBBXFMP-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
CN(C[C@@H](O)CN)C(=O)C1CC(Cl)C1	1893482586	WOMXLXZMTCYBGD-RRQHEKLDSA-N	220.700	-0.218	50	10	BBGE	
CCOC(=O)c1cc(F)c(B(O)O)cc1O	1901230637	HKLGMXPTOMFZKM-UHFFFAOYSA-N	227.984	-0.612	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCC[C@@H]1N)S(C)(=O)=O	1901373413	KMEHUTUODWLJLN-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(N)CC=CC1	1901376621	CZKTZYBZHIWOLJ-UHFFFAOYSA-N	247.320	-0.653	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C12CC(CN1)C2	1901376969	IKZJYVWYJZVSCZ-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
CC(=CC(=O)N1CC[C@H](B(O)O)C1)C(=O)O	1902521840	KOWKFCPAUIUUHE-ZETCQYMHSA-N	227.025	-0.907	50	10	BBGE	
C[C@H](O)CN(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909809364	VYMDEQJREPZLCS-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1C[C@H]1C1CC1	1910618090	QFYCHLUBZGDBHM-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
CO[C@@H]1C[C@H]1COCc1ccc(B(O)O)cc1	1910886082	ZUDQZFWHEHRSDK-CMPLNLGQSA-N	236.076	-0.082	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)no1	1914252957	BIZBRFRQWVXNEM-IMTBSYHQSA-N	240.263	-0.767	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC1(Cl)Cl	1923801438	GENKVQNORATFSU-VKHMYHEASA-N	211.841	-0.692	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(=O)N(C)[C@H](C)C1	1926006525	QMNKKHVSLLJFPC-VGMNWLOBSA-N	242.323	-0.837	50	10	BBGE	
O=C(CCOCC(F)(F)F)NNCCO	1929837823	FHLLLGSPKMXVKF-UHFFFAOYSA-N	230.186	-0.432	50	10	BBGE	
C[C@@]1(O)CON(CCCCC(=O)NN)C1	1930292540	BAEWYOUPMUTAFT-VIFPVBQESA-N	217.269	-0.855	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@H](F)C2)n1	1930620370	CPCWDUUTLLDPFR-SFYZADRCSA-N	212.033	-0.299	50	10	BBGE	
O=C(CCCl)NC[C@H]1CCS1(=O)=O	1930853867	SEMAHJIVVGCLHJ-ZCFIWIBFSA-N	225.697	-0.081	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1931249557	ZTTXJQUYLZAVMB-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C(F)(F)C1	1931821347	FRDPVGHWMVVVKN-WDSKDSINSA-N	223.223	-0.933	50	10	BBGE	
CC[C@@H](O[C@H]1CCCOC1)C(=O)NN	1932290268	KTQWGSYXDCLXKE-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CN(CCC(=O)NN)CC[C@@H]1CCCO1	1935342807	CBUUSPBZBTVMNV-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1936110349	DXHZRXURPMHEDA-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H](C2CC2)C1	1941085346	CWRJKGOGRYZMBG-MXWKQRLJSA-N	239.319	-0.277	50	10	BBGE	
Cc1ncn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1C	1941087322	MYPYSOUOMXVIKM-IUCAKERBSA-N	236.275	-0.514	50	10	BBGE	
CN(Cc1ncccn1)C[C@@H]1C[C@H]1C(=O)NN	1941091700	ARKJFBIRDMWBNA-DTWKUNHWSA-N	235.291	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CCCO	1941092931	DIECXQBSYVHAPY-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CC2)CC12CC2	1945882658	LHPUVXHFCYILKM-VIFPVBQESA-N	239.319	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1946083664	LHDVUARZPAPIGA-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
Cc1nc([C@@H]2CCCN2C(=O)C(=O)NN)no1	1946529048	SCYBUBQQUDVAOA-LURJTMIESA-N	239.235	-0.969	50	10	BBGE	
COC(C)(C)C(=O)N1CC[C@H](B(O)O)C1	1951320971	UTXBOAZSGQDYIA-ZETCQYMHSA-N	215.058	-0.513	50	10	BBGE	
O=C(O)Cc1ccc(B(O)O)c(Cl)c1	1951330153	GSZZDEOKEAZQRW-UHFFFAOYSA-N	214.413	-0.353	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1955550519	XCWDVOHOUIVHMQ-BJNUKLAGSA-N	219.668	-0.434	50	10	BBGE	
CC(C)S(=O)(=O)C[C@@H](C)NC(=O)NN	1956777768	HXNLJJFYJTWMEG-ZCFIWIBFSA-N	223.298	-0.629	50	10	BBGE	
OB(O)c1ccc(OCC(F)F)nc1	1956971568	YYRHLPATAKFGJH-UHFFFAOYSA-N	202.953	-0.595	50	10	BBGE	
CSCC1CN(CC(F)(F)C(=O)NN)C1	1958878911	FKRVOFOYEHSSAX-UHFFFAOYSA-N	239.291	-0.094	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2CCO2)c1	1958935575	BBVIAXYZXMYMMN-JTQLQIEISA-N	208.022	-0.466	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1960970127	VRSCQURSVFQANG-YIZRAAEISA-N	212.297	-0.857	50	10	BBGE	
C=CCOCc1nn(C)cc1C(=O)NN	1961179271	ULBJHCHXHXRDBN-UHFFFAOYSA-N	210.237	-0.274	50	10	BBGE	
CCCN(CC)c1ncc(B(O)O)cn1	1961675648	GJXZVULXKZPJAK-UHFFFAOYSA-N	209.058	-0.607	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(OCC(N)=O)C1	1962373565	PDAUSADDYCVSTR-LURJTMIESA-N	234.683	-0.284	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CC[C@H](O)CC1)C(=O)NN	1976638641	FBHCEOISWHHJNB-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1976931305	ICWIQKNOAVKMKM-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1CCC(=O)NN	1980303677	ZMSQPAACGCBNSC-ZETCQYMHSA-N	223.280	-0.323	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCn1ccnc1	1980765440	INQKUFGEBMMAEJ-SECBINFHSA-N	225.296	-0.417	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ccc(B(O)O)cn1	1981415718	IAFSOROWKBCCKT-CBAPKCEASA-N	224.044	-0.302	50	10	BBGE	
CCc1cnn(-c2ccc(B(O)O)cn2)c1	1981466406	XHAXGDIQVKDFAL-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cccnc1=O	1984127692	CMZNIYBZAHZVPG-UHFFFAOYSA-N	232.190	-0.741	50	10	BBGE	
NNC(=O)C(=O)N1CC(c2ccccc2)C1	1990722386	ZTPQUXRIAHCWKO-UHFFFAOYSA-N	219.244	-0.398	50	10	BBGE	
C#CCCS(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991332310	QPHJLFKTLDWMST-SECBINFHSA-N	243.093	-0.970	50	10	BBGE	
CN1CCN(C(=O)CNC[C@H]2C[C@H]2Cl)CC1	1991453138	VTCBGDPBBAPCMZ-NXEZZACHSA-N	245.754	-0.023	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)[C@@H]2COC[C@@H]12	1991706888	VEMTZXZVUNLYBO-SXSRJLBYSA-N	244.678	-0.508	50	10	BBGE	
C[C@]1(O)CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1O	1992071928	YOSZVULSNMDMNF-ZVAGAUQRSA-N	247.678	-0.348	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCC12CC2	1992152265	CDJHSPNSJRBUOS-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
C=C(CN1CCO[C@@H](C(F)F)CC1)B(O)O	1992153837	RVACRLNTOGJQEY-MRVPVSSYSA-N	235.039	-0.089	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	1997189059	QMXGKPMWKHUEGR-VZFHVOOUSA-N	245.229	-0.522	50	10	BBGE	
CCN1CCN(CC2(C(=O)NN)CC2)[C@@H](C)C1	1998400819	KVOICXJHOZZQLW-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CCCN(Cc1ccnn1C)C(=O)C(=O)NN	2003814601	WPLAIXQSOFYYEV-UHFFFAOYSA-N	239.279	-0.851	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CN(C)c1ncc(B(O)O)cn1	2004918918	RPXROJXRKYCBJV-KCJUWKMLSA-N	235.096	-0.361	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(N(C)C2CC2)C1	2005180998	YOIKMMMPPIVJSP-IUCAKERBSA-N	240.351	-0.221	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C1COC1	2007615055	FFDJDUOTKDVIFU-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
CC(C)n1ncnc1CN1CC(=O)OC(=O)C1	2019598239	FKMNVHOBMNUFJN-UHFFFAOYSA-N	238.247	-0.256	50	10	BBGE	
C=C(Cn1cnc(C(F)(F)F)cc1=O)B(O)O	2021158502	DHXGCYUKHLRPMA-UHFFFAOYSA-N	247.969	-0.170	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccccc1B(O)O	2022196897	UGIFLGWFNMHSNE-UHFFFAOYSA-N	231.060	-0.492	50	10	BBGE	
C[C@@H](CN1CCN(C)c2ccncc21)C(=O)NN	2051558123	KONPOYMDZCTHKE-VIFPVBQESA-N	249.318	-0.036	50	10	BBGE	
OB(O)c1ccc(N2CC(n3ccnc3)C2)nc1	2052468108	ZBNHAOVGARAVCQ-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(CC3CC3)C2)n1	2052617247	ASGZQFGDHNCBFR-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
CCOc1cc(C=O)cc(OC)c1B(O)O	2060134009	OVYWOTNKLDXGGZ-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(C=O)cc1B(O)O	2060140546	BALKXJBKEALESF-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
O=Cc1cc(OC(F)F)c(F)cc1B(O)O	2060260899	HHYASJMKJCCDRW-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2CCC[C@H]21	2068484530	RUPJVPRCRJFFQQ-JMJZKYOTSA-N	247.107	-0.219	50	10	BBGE	
COC[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2069651629	VXBJWLKIOORDNJ-KCJUWKMLSA-N	249.075	-0.413	50	10	BBGE	
Cc1nc(OC[C@@H]2CC[C@@H]3C[C@@H]23)ncc1B(O)O	2071008871	FILBOESRROFZNU-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
CC(=O)NNC(=O)CN1CCc2ncccc2C1	2074936427	HRSNAAHTARSZOA-UHFFFAOYSA-N	248.286	-0.393	50	10	BBGE	
N#CCC1CN(C(=O)c2ccccc2B(O)O)C1	2079010775	UDANYEAPMGVZMR-UHFFFAOYSA-N	244.059	-0.648	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1=O	2211838936	NTDXAFXXIDUOSQ-HTQZYQBOSA-N	226.280	-0.630	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@]1(F)CCOC1	2212152436	KVUUXDIOSOUZLH-JTQLQIEISA-N	233.287	-0.183	50	10	BBGE	
C=C1C[C@H]1CNc1nccc(B(O)O)c1F	2212606636	XJQICIXANQVPGH-ZETCQYMHSA-N	222.028	-0.112	50	10	BBGE	
CN(C)C(=O)Nc1ccc(Cl)c(B(O)O)n1	2212763242	DNZRISFWXIHZOY-UHFFFAOYSA-N	243.459	-0.492	50	10	BBGE	
CC[C@@](C)(CNc1ccc(B(O)O)cn1)OC	2217171756	DSEXZAJBCROVJV-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
CO[C@H](CNc1ncc(B(O)O)cn1)C(C)C	2217172275	IULOBGKILNIGSI-SECBINFHSA-N	239.084	-0.761	50	10	BBGE	
CCCN(C)CCNc1cc(B(O)O)ccn1	2217173402	QDUHUEIJHBVZHC-UHFFFAOYSA-N	237.112	-0.485	50	10	BBGE	
Cc1c[nH]nc1CNc1ncccc1B(O)O	2217176446	WMFONXZDRQXGSN-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C[C@H]1CNCC[C@H]1Oc1cc(B(O)O)ccn1	2217189069	XPKAPWLCWMTXGA-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
CC(C)(CO)CCN=c1ccc(B(O)O)c[nH]1	2217201831	RWEPINWVXYNMAE-UHFFFAOYSA-N	238.096	-0.996	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2217202989	ODTRIMOCYRTUBW-RKDXNWHRSA-N	238.096	-0.998	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)[C@H](C)[C@H]1N	2223669778	OJLBHXWDYCHCMY-KKZNHRDASA-N	249.123	-0.677	50	10	BBGE	
C=C(F)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2241475389	WTVUYJIHANQLEH-KNVOCYPGSA-N	201.006	-0.161	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C(C)(F)F	2241479483	ZAGOJUMGSGQCGW-RXMQYKEDSA-N	204.969	-0.838	50	10	BBGE	
O=C(Nc1ccns1)[C@@H]1C[C@@H]1B(O)O	2241481087	RDZZLEXQONWXNI-UHNVWZDZSA-N	212.039	-0.056	50	10	BBGE	
CC(C)(C)CNC(=O)c1nscc1B(O)O	2243346928	GAHHLHBERXWAKN-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2243357523	XZBWRCIKDZORRQ-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C2(B(O)O)CC2)O1	2243363327	FCYJPUUMZWBFQH-SSDOTTSWSA-N	227.069	-0.323	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2243363874	NRWWFEGJKSUDIJ-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC=C(F)C1	2243385863	PUNVJIFNUWFIJW-UHFFFAOYSA-N	242.040	-0.868	50	10	BBGE	
CC(C)CN(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2243391069	FWJGYNBJNCZPJN-DTWKUNHWSA-N	229.085	-0.674	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@H]1C1CC1	2243399587	NXHXIGGCJBECLD-UWVGGRQHSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243419597	CBNOMBUQDOPHEH-BGZDPUMWSA-N	227.069	-0.779	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2243427011	OUPMPEBTSAQQRK-ZJUUUORDSA-N	221.065	-0.136	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)[C@H](O)CC1	2243779839	PHGSPGOYLTVUAP-SRLPBZNGSA-N	247.678	-0.348	50	10	BBGE	
COC(C)(C)CNC(=O)c1coc(B(O)O)c1	2247733075	LYEYXXLLCQYIIF-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1coc(B(O)O)c1	2247733477	NOPOPYLZRPYFGK-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CC[C@]1(C)CC[C@H](CNC(=O)C#CB(O)O)O1	2247740988	SIZVGYNDTZXVMW-MWLCHTKSSA-N	239.080	-0.534	50	10	BBGE	
CC1(C)CCCN1C(=O)c1cc(B(O)O)c[nH]1	2247746977	HGMRAJMFOCJENB-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
CC1(CONC(=O)c2ccoc2B(O)O)CC1	2247747518	OQPFKJZRNFGPLR-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
C[C@@]12CN(C(=O)C#CB(O)O)CC[C@H]1C2(F)F	2247747612	PVZORHSWIFTMNV-VXNVDRBHSA-N	243.018	-0.495	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1occc1B(O)O	2247753412	GQTAYAVVDJOCDY-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
N[C@@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2247754917	NULWYICKUSCXIM-LDYMZIIASA-N	238.096	-0.667	50	10	BBGE	
O=C(N1C[C@H](O)C12CCC2)C1(B(O)O)CCC1	2247757893	SKPWJAJAOBXUDF-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCNC1	2247787809	VCRVHCZTEPQDNZ-QCLAVDOMSA-N	240.112	-0.646	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)N2CCC2)c1	2247795086	CEIJCXJHYWCJFC-UHFFFAOYSA-N	237.039	-0.340	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804518	HCFOFMDSJZGBDL-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC12COC(CF)(C1)C2)[C@@H]1C[C@H]1B(O)O	2247805144	AZMYPUCIXMCERM-KJVVFKAFSA-N	243.043	-0.763	50	10	BBGE	
CN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247807676	ROCIQKZTZFXSCB-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C(C)(C)C(N)=O	2247855769	XZHYUJKPDVHEQB-UHFFFAOYSA-N	242.084	-0.894	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	2247858170	BPZIRWNEYXBZFV-HACHORDNSA-N	241.096	-0.531	50	10	BBGE	
C=CCN(C)C(=O)c1nccc(C)c1B(O)O	2247858802	HSKCKTMYSDFCAZ-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccoc2B(O)O)[C@H]1C	2247865808	ATILCSVLVOLTAI-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(B(O)O)c(F)c1	2247868906	ZJBPGSCBRMDYMQ-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccoc1B(O)O	2247869227	OCLJVMNSRLRFDP-FTLITQJKSA-N	235.048	-0.512	50	10	BBGE	
CCCN(CC)C(=O)c1ccncc1B(O)O	2247872375	QZRRSBPDIYCLEJ-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NCCF	2247875684	AOROKYIJIMFKCB-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
C[C@]12CNC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247879449	VLDCWYIDTYQKEY-PSASIEDQSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1N	2247895356	RJIWXNFQAOCEEV-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
O=C(c1cocc1B(O)O)N1[C@H]2CCC[C@H]1C2	2249418548	VPHPQDUZFCECAL-YUMQZZPRSA-N	235.048	-0.274	50	10	BBGE	
CCn1cnnc1NC(=O)C1CC(B(O)O)C1	2250324955	PJEIVZNWEDTLML-UHFFFAOYSA-N	238.056	-0.511	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC[C@H]2C[C@@H]21	2255450630	YNRQGZBWZGMHMY-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
C#C[C@@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)o2)C1	2255463353	HTCWXXDLSISLAK-RKDXNWHRSA-N	247.059	-0.509	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255466106	TVMAESCDQBBGCA-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC12CCC2	2255508946	PEZWHDJBUNBSGU-UHFFFAOYSA-N	248.091	-0.527	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ccc(B(O)O)cn1	2255520595	MIJLRNZSBKAQTE-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
Cc1cnc(C(=O)N2CC3(CC3)C2)c(B(O)O)c1	2255562106	QLSSNIQDTJCWSF-UHFFFAOYSA-N	246.075	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2255669734	SQPLIQWDRNJJAL-KAMPLNKDSA-N	249.075	-0.926	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccncc2B(O)O)[C@@H]1C	2255690803	HTDBURIZLKTNKP-DTWKUNHWSA-N	248.091	-0.368	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1n[nH]cc1B(O)O	2255766177	ZUTUCFSGQFCVIY-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258123490	PNHAZAOBFXTNPJ-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
Nc1ccccc1NC(=O)c1cc(B(O)O)co1	2258136050	IMCIPGDVBJZJNS-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
C#CC1(NC(=O)Nc2cccc(B(O)O)c2)CC1	2258784270	XAYQXGGGVDPKQT-UHFFFAOYSA-N	244.059	-0.346	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncco2)cc1B(O)O	2263400577	CZIYETSFAFQZDL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]2[C@@H]3CO)CCC1	2298188558	ZDWWQKIGJYHNHQ-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369005	FRCUPUAXESWWKB-DOLQZWNJSA-N	241.096	-0.364	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298377461	RTVNCXGCNUMPGM-HQBQHRAMSA-N	238.096	-0.909	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2303771626	ZCSCXGRKPMYRTP-HTQZYQBOSA-N	241.096	-0.077	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3CC[C@@H]2O3)c1	2312614695	FAMXMOSGDDTWAV-GDPRMGEGSA-N	248.091	-0.259	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1coc(B(O)O)c1	2312848869	VWLNBAFOFIJXQE-WEDXCCLWSA-N	249.075	-0.122	50	10	BBGE	
NCC(=O)NNC(=O)Cc1ccccc1	49813728	POCSRVFEWGXRBG-UHFFFAOYSA-N	207.233	-0.665	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCNC(=O)C1	54711143	WOTKBLAQPDHYNL-ZCFIWIBFSA-N	204.657	-0.180	50	10	BBGE	
NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	71478153	QOYNXINTUGAUDW-BYPYZUCNSA-N	225.170	-0.470	50	10	BBGE	
CN1CCCN(CCCC(=O)NN)CC1	82466520	HHVWRKKMOQULCX-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
COCCN(C)Cc1ccoc1C(=O)NN	82470596	NDNATYZECOMVFA-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CCNCC1	82471254	AYNGIDRINSGPRB-QMMMGPOBSA-N	214.313	-0.561	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCN(C)C	82544100	QOIUOPDFIQWQSV-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1CC(O)C2)C(=O)NN	82598453	KFBORZVGJURRKC-IZJGZUANSA-N	227.308	-0.400	50	10	BBGE	
CC(=O)NNC(=O)Cc1csc(CN)n1	82696472	UQUGAOQJXZZHOG-UHFFFAOYSA-N	228.277	-0.688	50	10	BBGE	
C[C@H](CN(C)CC1(O)CCCC1)C(=O)NN	167221721	POECSNKHOTULSM-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
O=C(NCCCl)N1CCOC[C@H]1CO	170284634	YVFJXLXAQOAZRL-SSDOTTSWSA-N	222.672	-0.372	50	10	BBGE	
OB(O)c1cc(Br)ccn1	198084026	MEVZPTDPVZIERL-UHFFFAOYSA-N	201.816	-0.476	50	10	BBGE	
O=C(O)c1c(F)cc(F)c(B(O)O)c1F	202012260	MRHFZKVABJAXDJ-UHFFFAOYSA-N	219.911	-0.518	50	10	BBGE	
CC(C)(C)NC(=O)/C(C#N)=C\NCCO	216863996	HEFYJWVCZPKLIQ-FPLPWBNLSA-N	211.265	-0.110	50	10	BBGE	
COc1c(B(O)O)c(=O)n(C)c2ccccc12	218214965	GNGNLYBHBUUWBD-UHFFFAOYSA-N	233.032	-0.773	50	10	BBGE	
O=C1[C@@H]2C[C@H]2C(=O)N1C[C@@H](O)CCl	225619176	LRSQFWXIVJLARJ-KVQBGUIXSA-N	203.625	-0.409	50	10	BBGE	
C[C@]1(O)CCCN(CC(=O)NN)CC1	230383835	DSIHZIXXXOUMQO-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
Cn1c(B(O)O)cc2cc(C(=O)O)ccc21	238527697	WCCLIBQANVQVLN-UHFFFAOYSA-N	219.005	-0.444	50	10	BBGE	
O[C@@H]1CO[C@@H]2[C@@H](Br)CO[C@H]21	238676664	CYDSHUXBYGPGJA-KCDKBNATSA-N	209.039	-0.092	50	10	BBGE	
CCN([C@H](C)COC)[C@H](C)C(=O)NN	249911962	IVMKEWXYZXUNTC-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
C[C@H](CN1CCCC[C@H]1CCO)C(=O)NN	251122053	RIIRVNOVUSIPHD-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COc1cc([C@H]2C(=O)NC(=O)[C@@H]2Cl)nn1C	300886766	AWZUOUGOEPOYFE-RNFRBKRXSA-N	243.650	-0.224	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1CCO	304534082	JFWHZTDCVCZFNY-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
O=C1N[C@H]2[C@H](Br)C[C@H]1[C@H]2O	306311944	ZBBRHTADBLAAFF-SKNVOMKLSA-N	206.039	-0.371	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN2CC[C@H]1C2	381682101	CARZCSPPUKQTMA-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	387044552	VDRQKZDOXGUILI-LYFYHCNISA-N	244.678	-0.408	50	10	BBGE	
CCOC(=O)Nc1cc(B(O)O)ccc1OC	405069676	AQYMGTHPEXUCLK-UHFFFAOYSA-N	239.036	-0.057	50	10	BBGE	
CN(NC(=O)/C=C\c1cncc(O)c1)C(N)=O	492436625	HHWJHRAOUADDDW-IHWYPQMZSA-N	236.231	-0.158	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1CCN(C)C1	497188994	CIVUEPWMZSTKNQ-SSDOTTSWSA-N	215.253	-0.333	50	10	BBGE	
OB(O)[C@H]1CCN(CC[C@@H]2CCOC2)C1	585074440	ADEUSUZOJNMCME-ZJUUUORDSA-N	213.086	-0.038	50	10	BBGE	
C[C-]1NC#CN(C[C@@H](O)CCl)C1=O	642853352	HEIQSUODKVSAGV-ZETCQYMHSA-N	201.633	-0.512	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(CCC2)C1	691079537	LPLXUFDPCLJWCZ-UHFFFAOYSA-N	211.265	-0.327	50	10	BBGE	
CN1CC[C@@H](COc2cncc(B(O)O)c2)C1	691574190	YCMLNHJRTUMQIO-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
COCCN(CCF)CCCC(=O)NN	700385795	WLQQYABXYQLNAH-UHFFFAOYSA-N	221.276	-0.326	50	10	BBGE	
CN(Cc1nnnn1C)C[C@H](Cl)C#N	707513290	QANZFMBDCANNTL-ZCFIWIBFSA-N	214.660	-0.227	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708052442	XOXHSEIXHWHOAT-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C[C@@H](C)O	709384231	GTXZYRDTRCHUMX-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
CC(F)(F)CCCn1ccc(B(O)O)n1	718591149	UDKIRWOOAWNNIM-UHFFFAOYSA-N	218.012	-0.002	50	10	BBGE	
COC1(C(F)(F)F)CN([C@H](C)C(=O)NN)C1	724137979	ARBDOAIHTJJTKO-RXMQYKEDSA-N	241.213	-0.372	50	10	BBGE	
CN(C(=O)C1=NCN=C1)[C@@H]1COC[C@@H]1Cl	725690779	OMJKGJDIRPDVSX-POYBYMJQSA-N	229.667	-0.066	50	10	BBGE	
CCOC1(C(=O)NNC(=O)NC)CCC1	823425350	QXROKASMUXDTLZ-UHFFFAOYSA-N	215.253	-0.094	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCC1	827215948	IEAHHVAUSHLXRY-BRPSZJMVSA-N	224.260	-0.174	50	10	BBGE	
Cn1cc(C(=O)NN=C[C@H]2CCOC2)nn1	853386354	CTGPTYQXLSVMDU-SSDOTTSWSA-N	223.236	-0.433	50	10	BBGE	
C#CC(=O)NNc1ncnc2[nH]cnc12	1160861075	PUVXEMCWVLZEID-UHFFFAOYSA-N	202.177	-0.571	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1440724888	YZZFOIWNGTZVOF-XLPZGREQSA-N	210.233	-0.231	50	10	BBGE	
O=C(Cc1cncc(O)c1)NNc1nc[nH]n1	1558991987	JESCLHVHYJATEK-UHFFFAOYSA-N	234.219	-0.409	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)[C@@H](C(=O)O)[C@H]1C	1614489015	KJCZPNBVFPDREP-NGJCXOISSA-N	201.226	-0.389	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2ncon2)CCOC1	1616277323	NTZLATBNNPDMOM-SECBINFHSA-N	240.219	-0.743	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)c2ncon2)C1	1645910436	KIHQMAJTFIHJJD-RXMQYKEDSA-N	238.203	-0.800	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2nc[nH]n2)CCN1	1648831944	RRPGXYWFOMMTTF-LURJTMIESA-N	238.251	-0.836	50	10	BBGE	
NCC[C@@H](O)C(=O)NCC(Cl)Cl	1880977844	FSUFMBIWBJNXLR-SCSAIBSYSA-N	215.080	-0.384	50	10	BBGE	
COC[C@@H](O[C@H]1C=CCC1)C(=O)NN	1893723957	VAGKWTDFEXHLSN-JGVFFNPUSA-N	200.238	-0.274	50	10	BBGE	
COCCOC[C@@H]1CCC[C@H](C(=O)NN)O1	1896929369	YDCCYFDOPFKPPT-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
COCCN1C[C@@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1897145098	BGRSBSPXSGCAMU-GWOFURMSSA-N	248.754	-0.105	50	10	BBGE	
C[C@H]1NCCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901340831	KUHINOGGJUALGR-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CC(C)[C@@H]1C[C@@]1(N)C(=O)NN(C)S(C)(=O)=O	1901376811	GLINENSSIGNODC-CBAPKCEASA-N	249.336	-0.718	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1901869846	HQYLWTMGYPBWAO-UTINFBMNSA-N	227.308	-0.136	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1901870547	QLGUIPUAKKFCEA-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
OB(O)c1cncnc1OCC1CC(F)C1	1905000711	LVQOLZCXIUSVQT-UHFFFAOYSA-N	226.016	-0.717	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCC1=CCCOC1	1905025914	KIDNMPDYLDHIFC-NXEZZACHSA-N	226.276	-0.024	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H](C)C(=O)NN)[C@H]1C	1914334883	LPHLTUKHWRDDRL-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917086499	INULEDTXTQHZQY-CBAPKCEASA-N	219.260	-0.839	50	10	BBGE	
COC[C@H](CCl)NC(=O)Cn1cnnn1	1928697921	HUQQHZNHYVRLJX-LURJTMIESA-N	233.659	-0.957	50	10	BBGE	
O=S(=O)(NCCOCCCl)N1CCC1	1929937118	OVQWBKBHAFESID-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
CS(=O)(=O)C[C@H]1CCCCN1C(=O)NN	1931356961	GBZYHCVNXFVVOI-SSDOTTSWSA-N	235.309	-0.531	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H](CO)C1	1935945098	QTJINQUOMCPXMD-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
CCn1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1936081649	ABJUDZLTWOAVRS-YUMQZZPRSA-N	224.264	-0.704	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)CCCO1	1936531095	BNVKNXBUBYDXAO-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C1NCCN1CCN=c1[nH]nc(CCl)o1	1937401488	NMTHBNIVGUAEPX-UHFFFAOYSA-N	245.670	-0.333	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCN(C)C1	1941086751	KFNKCIMPRUGFDK-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)[C@H](C)C1	1941784900	WLTAPGBDEQHESJ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@]1(O)CCCN(CCOCC(=O)NN)CC1	1941785073	YXPHBOCVQWLOHM-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
C[C@H](CN1C[C@]23CC[C@]2(COC3)C1)C(=O)NN	1942762755	VUQZWZIVSRQEQT-JLLWLGSASA-N	239.319	-0.275	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](OC)C2(CC2)C1	1944722570	DAPFWHYDUGEEEH-DTWKUNHWSA-N	243.307	-0.898	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@@H](N)[C@H](O)C#N	1953031745	RRJCGQGAPIONGN-RNFRBKRXSA-N	224.220	-0.909	50	10	BBGE	
N[C@@H](C(=O)CBr)C1COC1	1953187703	BEBKBNPHIJYYGA-ZCFIWIBFSA-N	208.055	-0.076	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H](CO)[C@H](C)O	1954232462	PLSMRJNJAPQVJV-ACZMJKKPSA-N	209.673	-0.138	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(CF)C1	1955351146	GLGAOCZBJHLCDR-QMMMGPOBSA-N	203.261	-0.098	50	10	BBGE	
C#CCN1CCN(C[C@H](O)CCl)CC1	1956256183	KNQCZALDPCFXLM-SNVBAGLBSA-N	216.712	-0.163	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)C(=O)NN)CC1	1958766886	PXAADLKSRRJJKH-KNVOCYPGSA-N	215.253	-0.950	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(F)CC1C2	1960682599	BUAKLALGWSLZKV-YQXFOVADSA-N	213.256	-0.201	50	10	BBGE	
Cc1nc(-n2ccnc2)ccc1B(O)O	1961721821	DDAYUHLPOUXPED-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C([C@@H]1C[C@@]12CCOC2)N1CC[C@@H](B(O)O)C1	1972412820	KRRUMPHYCRDHFT-WCABBAIRSA-N	239.080	-0.512	50	10	BBGE	
C[C@@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1975100157	AFBRIORFLZVXES-SFYZADRCSA-N	207.038	-0.816	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@@H](CF)C1	1981247750	IGJVSTARQGZOLD-IUCAKERBSA-N	233.287	-0.329	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3C[C@H]32)nc1	1981412212	SEBOZBORERZQCS-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
CC1(C)[C@@H]2CN(c3nc(B(O)O)cs3)C[C@H]21	1981468781	IIWWXLQAONYYIM-RNFRBKRXSA-N	238.121	-0.085	50	10	BBGE	
COC(C)(C)CN(C)c1nc(B(O)O)cs1	1981470811	DSFXPTSJCYYAHU-UHFFFAOYSA-N	244.125	-0.316	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@@H]1CF	1985767801	RFKPWEKBXSASNK-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CC[C@@H](OCCn1ccnc1C)C(=O)NN	1986444993	IYDDEOXBZWOEIK-SECBINFHSA-N	226.280	-0.023	50	10	BBGE	
CC(C)(COCCn1cccn1)C(=O)NN	1986445791	OZQPMVYKGWHFQR-UHFFFAOYSA-N	226.280	-0.084	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]12C[C@H](CCO1)C2	1990168417	VDPGTWWWABVCPY-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
O=C1N[C@H](C2CNC2)C(=O)N1C[C@@H]1C[C@@H]1Cl	1991443692	WRHPJAJNGLIAOB-APQOSEDMSA-N	243.694	-0.247	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)[C@H]2COC[C@H]12	1991651671	VEMTZXZVUNLYBO-PRJMDXOYSA-N	244.678	-0.508	50	10	BBGE	
NC(=O)C[C@H](NC(=O)C1CC(Cl)C1)C(=O)O	1991693137	ICPXTDGYOXZKCW-WRVKLSGPSA-N	248.666	-0.551	50	10	BBGE	
C=C(CN1C[C@@H]2CC[C@H](OC)[C@H]2C1)B(O)O	1992160097	RRIZXZWWBPRDOQ-DCAQKATOSA-N	225.097	-0.089	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2COC[C@H](C2)C1	1995162383	DBEPQDRKGQNUKX-MYJAWHEDSA-N	228.292	-0.338	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1N(C)C	2003958207	MIMXOVGKIABDFA-HBNTYKKESA-N	242.367	-0.116	50	10	BBGE	
CC[C@H](COC)N(C)c1ccc(B(O)O)cn1	2004916580	NBGKJQLITKLJAQ-SNVBAGLBSA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1ncccc1B(O)O	2004931091	ZFTZJWSDNJMWQK-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1c1ccncc1B(O)O	2004936090	UUPHDFPTSKXAHI-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C)(CF)C2)n1	2008690297	OSNXPWYOSPPBPM-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
NNC(=O)CCCCN1CC[C@]2(C1)C[C@@H](O)C2	2011293839	SYTWBEZOYSHZIW-KLPPZKSPSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cccc(CN2[C@@H]3COC[C@H]2C3)c1	2021408872	JKTZGNSZGDXXTH-TXEJJXNPSA-N	233.076	-0.661	50	10	BBGE	
Cc1cnn(C2CN(C[C@H]3C[C@H]3C(=O)NN)C2)c1	2050891671	MIRHEVXXBSBQES-MWLCHTKSSA-N	249.318	-0.326	50	10	BBGE	
CN(Cc1cncn1C)c1ncccc1B(O)O	2052498198	AHHKBKCYDNEGLN-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CCN1CCN(c2ncc(B(O)O)cc2C)CC1	2052622293	SDHWMKVNEXPZTR-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
NNC(=O)c1ccoc1Cn1ccc(O)cc1=O	2054655415	PUIJHRKLHNTMCT-UHFFFAOYSA-N	249.226	-0.201	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)ccc1B(O)O	2068630871	ZMHYXVAEHTVPFV-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@]1(C)CO	2211782457	PDCMHOKSEHAWLQ-MWLCHTKSSA-N	227.308	-0.376	50	10	BBGE	
C[C@H]1C[C@]1(C)CNc1ncc(B(O)O)cn1	2212602625	HHIKHOQATVSLIM-OIBJUYFYSA-N	221.069	-0.386	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1ccc(B(O)O)cn1	2212612854	PMRKVNSOLNNGBF-SFYZADRCSA-N	224.069	-0.810	50	10	BBGE	
C[C@@H](CN(C)CCc1cnn(C)c1)C(=O)NN	2213539346	QWKUCFGWXYVTPA-VIFPVBQESA-N	239.323	-0.480	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC1(C)COC1	2215771734	JPXUQAGANIRIOZ-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
Cc1ccc(CNc2ncc(B(O)O)cn2)o1	2217171743	DOSGDDZKOYSWTJ-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC23CC(O)C3)c1	2217176429	WEUNGAMYKILURD-YUCVTWSNSA-N	234.064	-0.913	50	10	BBGE	
Cc1cnc(N[C@H]2COC[C@H]2C)cc1B(O)O	2217181898	WSWGHLQIUBFUFS-SCZZXKLOSA-N	236.080	-0.483	50	10	BBGE	
C[C@H]1NCC[C@@H]1Nc1nccc(B(O)O)c1F	2217183923	LNUXCGZXPVYYOL-SVRRBLITSA-N	239.059	-0.937	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCOC[C@H]2F)nc1	2217199544	DDSWNWIZMPNTDA-RKDXNWHRSA-N	240.043	-0.700	50	10	BBGE	
COCCC(C)(C)Nc1ncccc1B(O)O	2217201938	GOZGKBUFGMHRPN-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncccc2B(O)O)CCO1	2217203836	AXPLYTDFTFGQHO-RKDXNWHRSA-N	236.080	-0.259	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNc1cc(B(O)O)ccn1	2217203863	BDRGFOSEYRZTQP-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
C#CCCCCC(=O)Nc1ncc(B(O)O)cn1	2220154514	KKUNECSCPBLJRP-UHFFFAOYSA-N	247.063	-0.712	50	10	BBGE	
CO[C@H]1C=C[C@@H](Nc2cc(B(O)O)c(C)cn2)C1	2223649756	CPYGIMAQNWQIBC-ZJUUUORDSA-N	248.091	-0.175	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCCO[C@@H]32)nc1	2223652562	JYWIGRCLNGJTJZ-UMNHJUIQSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnn(CCNc2cc(B(O)O)ccn2)c1	2223668739	AKHSHTMJIVZRAC-UHFFFAOYSA-N	246.079	-0.622	50	10	BBGE	
COCCN(C)S(=O)(=O)N1CC(Cl)C1	2241353730	LUBJYMLFWQCUAM-UHFFFAOYSA-N	242.728	-0.268	50	10	BBGE	
CN(CC(C)(F)F)C(=O)C#CB(O)O	2241475969	JBZUVGPUQKXIFQ-UHFFFAOYSA-N	204.969	-0.885	50	10	BBGE	
C[C@@H](NC(=O)c1nscc1B(O)O)C1CC1	2243347046	GTEVKWVYZIGUBA-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1csc(B(O)O)c1	2243350167	WUXGDYAJDFGBBW-RXMQYKEDSA-N	247.031	-0.435	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21)C1(B(O)O)CC1	2243359451	TYJGIVYWHNQAPK-JBDRJPRFSA-N	221.065	-0.140	50	10	BBGE	
CCC1(NC(=O)C2(B(O)O)CCC2)CNC1	2243364691	AXMIVFWUKHCUQK-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
O=C(NCCC1CC1)c1cc(B(O)O)sn1	2243378509	UUVSSQQCTXKFMJ-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(B(O)O)sn1	2243378631	WUVRGOVKKKJRFJ-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
CC[C@@H](O)CN(C)C(=O)C1CC(B(O)O)C1	2243391188	HPBQNTZVPKSGQX-AMDVSUOASA-N	229.085	-0.531	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2COC[C@H]21	2243426302	GJSKHPHNUUVRAR-FNCVBFRFSA-N	225.053	-0.903	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)co1	2244213636	HYANKQQORFARQJ-RNFRBKRXSA-N	221.021	-0.902	50	10	BBGE	
C=CCN(OC)c1ncnc(C)c1B(O)O	2244272806	XAASPDBIGMSXMS-UHFFFAOYSA-N	223.041	-0.981	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CCC[C@H]21	2247751107	SQVVNDVISQZUGH-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CN(C[C@@H]1CCCCN1)C(=O)C1(B(O)O)CC1	2247756067	LYWDPWFKKIPWHI-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1C(=O)C1(B(O)O)CC1	2247756688	UBNIKEQSQSVZSW-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H](NC(=O)c1cncc(B(O)O)c1)C(F)F	2247770931	SETGYFDBZHNANM-RXMQYKEDSA-N	244.006	-0.855	50	10	BBGE	
CC(=O)NC(=O)c1cc(C)c(B(O)O)c(C)c1	2247787651	RUJQPJRXYJYMJJ-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@H]1CO	2247810139	VBJHVBNWDPIFAN-SYEZBEBOSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H](CCO)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810498	XUGVPYNVPVKGBL-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1cc(B(O)O)c[nH]1	2247848470	MHYJCBODVUDUMK-JGVFFNPUSA-N	240.043	-0.685	50	10	BBGE	
N=c1cc(CNC(=O)C2(B(O)O)CC2)cc[nH]1	2247872516	TWDSQMIISXJATF-UHFFFAOYSA-N	235.052	-0.883	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1occc1B(O)O	2247878373	NYKCWIYCCNKECH-BQBZGAKWSA-N	241.027	-0.468	50	10	BBGE	
CCNC(=O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2247878626	OXUSQIIVKWVTPP-ZETCQYMHSA-N	242.084	-0.976	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247887259	MGGGXSCKULMYFL-WYCDGMCDSA-N	241.096	-0.221	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@@H]21	2247887973	UIUBRULMSYXPKZ-ZJDVBMNYSA-N	239.080	-0.779	50	10	BBGE	
C=CCCOCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894228	DOZKCVDZNAUJPS-AOOOYVTPSA-N	241.096	-0.052	50	10	BBGE	
Cc1cnccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247897458	SNYHDDATWARGAO-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)CN	2247898847	IDAFCFFTWAHMLQ-CDLYGTGVSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247899491	NPDDEKGJGMBEGC-XFWSIPNHSA-N	240.112	-0.789	50	10	BBGE	
COC[C@]1(C)C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248694492	VJEPTSPXZOJTSB-KKZNHRDASA-N	239.080	-0.347	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2248717457	SQUOAARIZDIAJF-REIXXSIJSA-N	241.096	-0.362	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CC[C@H](N)C2)CC1	2249155904	VCICZGXAWKTDSW-VIFPVBQESA-N	238.291	-0.510	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@@H]2C=CCOC2)O1	2249279267	QXWMXCHFAONEAR-UTLUCORTSA-N	242.275	-0.505	50	10	BBGE	
C#CCN(C(=O)c1cocc1B(O)O)C(C)C	2249424149	PACCMEZIXWTYIW-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
CC1(C)CN(C(=O)Nc2ncccc2B(O)O)C1	2254068263	VIMYGMFWNGZTIF-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
Cc1ncccc1NC(=O)c1ccc(B(O)O)o1	2255467164	JDWLMKJXEJDXFP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccc(B(O)O)cn1	2255520114	GUTUWWFDZGKRKI-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
O=C(C#CB(O)O)NCc1cncc2c1CCC2	2255673404	PXHMKVADYSYNJK-UHFFFAOYSA-N	244.059	-0.798	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1ccc(C)cc1B(O)O	2255729868	CAKNEIFXMCLQQG-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CC23CC3)c1	2255730769	SSYMDZDKOZLCHE-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)cn2C)CCC1	2255736521	OVQHOCKNSOQKRH-UHFFFAOYSA-N	248.091	-0.457	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1n[nH]cc1B(O)O	2255762981	DQMIPHQSBGDTTE-WRWORJQWSA-N	249.079	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H](O)[C@H]2C1	2298166153	XABFNPXDUVVNGN-HHKYUTTNSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2298168246	UUYDZHIXMOIPBG-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCC[C@H]1O	2298370487	AEVXTPMCYNKZRR-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2298374914	FYJKVISGRUMVPZ-HLTSFMKQSA-N	239.080	-0.371	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCC[C@H]1CO	2300362699	FMUPJTKIBWZSGR-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	2302023751	QHOMACTUMBDKGS-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303854745	GLEDRLKDUYWXNJ-RCOVLWMOSA-N	240.043	-0.970	50	10	BBGE	
CO[C@@H]1COCCN(CCCCC(=O)NN)C1	2306799777	QRZRJELWTXJOKH-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317165252	IVGXDSKRXSQMLC-GZMMTYOYSA-N	246.075	-0.173	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cc1C#N)C(C)(C)N	2317168840	ZHQKLBKNSQLOSH-MRVPVSSYSA-N	247.107	-0.224	50	10	BBGE	
CN(C[C@H]1CCCCO1)C(=O)C(=O)NN	42467022	GCKSHPCDGSLGEN-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)COCC(=O)N1CCCCCC1	58852069	PKVLTLMVCZZRTH-UHFFFAOYSA-N	229.280	-0.605	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCNCC1	69625258	YRBXMYRAYIULDE-SECBINFHSA-N	214.313	-0.560	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)CC1	82465995	YFKUZDJLQQUPCC-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCCO1	82469913	FENPNNYFNFSQOI-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC(C)(C)O	86313746	IUXWXBPWCNTLHI-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
N#C[C@@H](Cl)Cn1cc(F)c(=O)[nH]c1=O	132591338	MDKZVINZKPBOOU-SCSAIBSYSA-N	217.587	-0.193	50	10	BBGE	
CC(=O)N[C@H]1CCN(C(=O)NC(=O)CCl)C1	160309235	IMEDTTXSJKTLIB-ZETCQYMHSA-N	247.682	-0.328	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCCC[C@@H]1O)C(=O)NN	167005790	DYNIGNMCPAIPPT-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H](N)CC)B(O)O	170068260	INMYVQXGWVHEKG-JGVFFNPUSA-N	216.090	-0.589	50	10	BBGE	
Cc1nccn1Cc1cccc(B(O)O)c1	203169818	SVCSHWLXTLCEAF-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
C/C(=N\NC(N)=O)[C@](C)(N)CCC(=O)O	218862893	VLRQNKLHVAJIKG-ITXLNXHTSA-N	216.241	-0.387	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1CONC1=O	235442025	ZVEDODSSAVPKGF-IUYQGCFVSA-N	237.053	-0.684	50	10	BBGE	
C[C@H](Cl)c1nnc(N2CC(=O)NC(=O)C2)o1	235494912	ODMXOXBPQFEMFW-BYPYZUCNSA-N	244.638	-0.168	50	10	BBGE	
CCN(CC)CCC(=O)NNC(=N)N	238238367	GFKOTGNGSNVPRC-UHFFFAOYSA-N	201.274	-0.767	50	10	BBGE	
OB(O)c1cncc(-c2cscn2)c1	238657479	CDQQRIGVAIOZHJ-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
CSCCC(=O)NNC(=O)C(C)(C)O	276321162	WQSZIXBUXXRQRC-UHFFFAOYSA-N	220.294	-0.342	50	10	BBGE	
NNC(=O)c1cccnc1Cn1cncn1	300799727	WBLVGBNYKGGDAD-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@]1(CO)CCOC1	307167019	QKQHNNDTQWQCPW-HTRCEHHLSA-N	207.657	-0.119	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@@H]2O[S@@](=O)O[C@H]21	307387276	CFTBGBQASQGCLQ-ULJFMCRUSA-N	228.653	-0.041	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@H]3C2)c(F)c1	307592772	FXNZPAODIPUPBN-AOOOYVTPSA-N	235.067	-0.043	50	10	BBGE	
C[C@@H](O)CN(CCO)C(=O)CBr	308112260	KQXKXLHKVDJQJJ-ZCFIWIBFSA-N	240.097	-0.417	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@H]1CO	310117694	HMIFMUOMEDPODF-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCN1CC(F)(F)C(F)(F)C1	313301404	IMPIRFROTHPMML-UHFFFAOYSA-N	229.177	-0.047	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@H]1C[C@@H]1C	381433423	XIJGQNJAUVEHJT-FXQIFTODSA-N	213.281	-0.227	50	10	BBGE	
CN1CCC[C@H]1COc1cncc(B(O)O)c1	386964891	ZUQRCTSCQKMIHA-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
CCC[C@H](NS(=O)(=O)CCl)C(N)=O	388597434	DGDGBHVRBLYXMK-YFKPBYRVSA-N	228.701	-0.244	50	10	BBGE	
COCCN(CCO)[C@@H](C(=O)NN)C(C)(C)C	395608083	HBSPKVVAEFCWBN-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
N#Cc1ccc(B(O)O)c2cc(CO)sc12	396217606	IOZBYFORWAFACH-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=Cc1cc2sc(CO)cc2cc1B(O)O	396337367	NQDLEOOYVBUPFZ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1ccc2sc(B(O)O)cc2c1O	396346369	QWYVWIYCYXPEJW-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC[C@H]1CN(CCCC(=O)NN)C[C@@H]1O	399887697	GWXIDDDCNPXWBW-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC[S@@](C)=O	399942733	VYKHRWKFBLARHN-VXJOIVPMSA-N	235.353	-0.545	50	10	BBGE	
CC(C)[S@](=O)NCc1ccc(B(O)O)cc1	404911525	CCNKRZUELBAZAY-INIZCTEOSA-N	241.121	-0.472	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[S@@](C)=O	404940327	PPTZNKHACUVWKQ-OAHLLOKOSA-N	227.094	-0.908	50	10	BBGE	
CC(C)NC(=O)Nc1ncc(B(O)O)s1	405149584	PVWXCVXMTLYHQU-UHFFFAOYSA-N	229.070	-0.647	50	10	BBGE	
CC[S@@](=O)Nc1ccc(C)cc1B(O)O	405150605	QRKAXIJUJAPOCN-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
CC1(C)CNc2ccc(B(O)O)cc2O1	521400369	IVSHEBUFGGGZHB-UHFFFAOYSA-N	207.038	-0.051	50	10	BBGE	
O=C(CBr)N[C@@H]1CCOC[C@H]1O	575588941	KSUWFFNJYDDJMG-PHDIDXHHSA-N	238.081	-0.353	50	10	BBGE	
C[C@H](CN)CSCC(F)(F)C(=O)NN	685956103	MSIHNAKIIZTBBY-RXMQYKEDSA-N	227.280	-0.060	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CCC(=O)NN	686191053	KEPPDWYMUJSALN-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N(C)C)[C@H](C)C1	693630056	MHYNDLFGPNDOEW-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
COCC(COC)N(C)[C@@H](C)CC(=O)NN	702036515	SILVNCDTOFBTCW-QMMMGPOBSA-N	233.312	-0.652	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H]3C[C@H]32)on1	706977058	YMMCDFJYEXYLQM-IMTBSYHQSA-N	222.248	-0.128	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](O)C1CC1	708545378	NWDHEFWKUQPLKT-BDAKNGLRSA-N	215.297	-0.542	50	10	BBGE	
CN1CCN(CCn2cnnn2)C[C@H]1CCl	712537409	COQDDLCXZXILCN-SECBINFHSA-N	244.730	-0.472	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@@H]3C2=O)O1	715704679	ULSJQWOXKFRLFB-KZVJFYERSA-N	239.275	-0.998	50	10	BBGE	
Cc1nn(C)cc1CN(C)CC(=O)NN	716413912	OEOFXJNPCLTIIE-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2[nH]ccc2s1	795240024	XEOKQYGFKRVQGB-UHFFFAOYSA-N	239.256	-0.017	50	10	BBGE	
O=C(NN=C1COCCOC1)[C@H]1CCCO1	814940864	CUNUYMSHGYZDDP-SECBINFHSA-N	228.248	-0.316	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1cn[nH]c1	1461836439	IERXXRLGQMORQN-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(COC)on1	1543663314	FQOCWYRFBZYQFO-UHFFFAOYSA-N	228.208	-0.605	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)CBr)C(=O)O	1866000453	OKWJGDZHIIZLGX-NQXXGFSBSA-N	240.053	-0.669	50	10	BBGE	
CC1(C)CNC(=O)CN1C(=O)CCl	1881891942	AVUOAGFJWIJGAH-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)[C@@H]1C[C@H]1Cl	1883646122	VXVIMHBILMPNQM-FSDSQADBSA-N	206.673	-0.608	50	10	BBGE	
CN(CC[C@@H]1CCOC1)CC(=O)NN	1892656124	SRAMGNDTGAUMIO-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
O=C(C1CC(Cl)C1)N(CCO)CCO	1893488059	PXFIWTOYSOOQMN-UHFFFAOYSA-N	221.684	-0.183	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1895003075	GAEPASIRLZYIOU-KXUCPTDWSA-N	226.324	-0.611	50	10	BBGE	
C[C@@H]1CCN1c1ccc(B(O)O)cc1C#N	1901205268	UNJHUWZFVDMWBV-MRVPVSSYSA-N	216.049	-0.163	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C[C@@H]1CCO1	1901979173	IGBGUXSSBSURLS-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2CCCO2)C1	1902521418	GYWVKYZQMGNGQK-WCBMZHEXSA-N	227.069	-0.369	50	10	BBGE	
CC[C@@](C)(CN1[C@H]2COC[C@H]1C2)C(=O)NN	1902720912	VKGPNSTVMOHFRQ-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
C[C@H](Cn1c(=O)n(C)c2ccccc21)C(=O)NN	1912227775	LZVXNFRSABHEIT-MRVPVSSYSA-N	248.286	-0.034	50	10	BBGE	
C[C@H](Cn1ccn(C2CC2)c1=O)C(=O)NN	1912236602	AZAKYBDWZPRFRG-SSDOTTSWSA-N	224.264	-0.389	50	10	BBGE	
COc1cn(C[C@@H](O)CCl)c(=O)nc1O	1913100096	OYLVBTPHNMWJBF-YFKPBYRVSA-N	234.639	-0.443	50	10	BBGE	
CCCN(CC(F)(F)C(=O)NN)C1COC1	1915663423	FNAYGUWHQFGKAL-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1NS(=O)(=O)CCl	1922133754	OIKPGSOYEGKFJF-RQJHMYQMSA-N	242.728	-0.569	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C(C)(C)CC(=O)O	1925343073	NJULXFQHQFNHTN-UHFFFAOYSA-N	245.279	-0.661	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](F)[C@H](O)C1	1929910195	LFWYTOHBYJNQBY-XLPZGREQSA-N	219.260	-0.985	50	10	BBGE	
COC(=O)[C@H](O)CN(N)C(=O)OC(C)(C)C	1930120352	JAYVRSVZRNRHJR-ZCFIWIBFSA-N	234.252	-0.369	50	10	BBGE	
NNC(=O)C1(COCCOC2CC2)CC1	1931267086	OOTCCWZSKMTEKV-UHFFFAOYSA-N	214.265	-0.048	50	10	BBGE	
CC[C@H](COC)CC(=O)NCB(O)O	1932160229	UQRAAYSLFBJEJC-ZETCQYMHSA-N	203.047	-0.823	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2C[C@H]1CO2	1932589382	PCOFCBQIGDZVJE-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
Cc1ccc(CN(C)[C@@H](C)C(=O)NN)nn1	1936648254	SOQXCDXXFLZIGA-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CCOC[C@@H]1Cl	1937159617	KEPVJXQNLLMDBA-BQBZGAKWSA-N	245.670	-0.814	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COC[C@H]2CCl)nn1	1937184244	XMHFRZLBZHHLSQ-HTRCEHHLSA-N	244.682	-0.201	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC2(C(=O)NN)CC2)CO1	1938247354	RTTOYDGQCCLIJN-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
Cn1cccc(OC(F)(F)C(=O)NN)c1=O	1939776263	NVCIEKKGEYXOAW-UHFFFAOYSA-N	233.174	-0.653	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2CCOCC(=O)NN	1942996813	HFCVDHGNBITBHE-KWQFWETISA-N	241.291	-0.606	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@H]1CO	1944079722	HQYTZHJVWQJEAG-VIFPVBQESA-N	239.275	-0.242	50	10	BBGE	
CN1CCN(C[C@@H]2CC(=O)OC2=O)CC1	1951494930	WKQMYMJLVIHZRW-QMMMGPOBSA-N	212.249	-0.677	50	10	BBGE	
O=S(=O)(CCl)NC[C@]1(O)CCCOC1	1956552809	TZNHDLXQPUSCQR-SSDOTTSWSA-N	243.712	-0.356	50	10	BBGE	
C[C@@H]1C[C@@H](OC(F)(F)C(=O)NN)CO1	1956932572	VPRJFFFTDJJHFS-RFZPGFLSSA-N	210.180	-0.237	50	10	BBGE	
OCC[C@H]1CN(C[C@H](O)CCl)CCO1	1956982305	KAHNMWBIECTLLE-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CNC(=O)OCCNC(=O)NC(=O)CCl	1958907658	NNEDKRPGEONADD-UHFFFAOYSA-N	237.643	-0.593	50	10	BBGE	
CCN(CCC(=O)NN)C[C@@H]1CCOC1	1961262924	ZWPGXVGUXLUHII-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
OB(O)c1csc(N2CC(C(F)F)C2)n1	1961718631	RFWYWNCAMNEELS-UHFFFAOYSA-N	234.036	-0.476	50	10	BBGE	
O=C(c1cnsn1)N1CCC(B(O)O)CC1	1964501620	XRSRQUBBHYMWJY-UHFFFAOYSA-N	241.081	-0.383	50	10	BBGE	
CN(C(=O)NN)C1C[C@@H]2CS(=O)(=O)C[C@H]2C1	1976994662	JYWBIOVZHMTMLH-RNFRBKRXSA-N	247.320	-0.675	50	10	BBGE	
CN(C[C@@H]1CCC(F)(F)C1)C(=O)C(=O)NN	1978338206	GDFBSERPYBCALS-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
CN(C)C1CC2(C1)CN(CCC(=O)NN)C2	1978615908	WVRIXJVRRDHJHB-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N([C@H](C)CC(=O)NN)C1	1979551552	PZRRWKCFHGWZHL-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CCN(C)C1CCN([C@@H](C)C(=O)NN)CC1	1981059087	RCEQIGXHROEFJO-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC[S@@](=O)NCCc1ccccc1B(O)O	1987607807	LZFLGQJSKCSQDT-MRXNPFEDSA-N	241.121	-0.818	50	10	BBGE	
OB(O)c1ccn(CC2C[C@H]3CC[C@@H]3C2)n1	1988174282	BKGDLTKKTBCTSJ-NXEZZACHSA-N	220.081	-0.001	50	10	BBGE	
C[C@H](CN(C)C(=O)C(=O)NN)OC(C)(C)C	1989539041	NERWCTDEJWHDTF-SSDOTTSWSA-N	231.296	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC[C@@H]1C	1990771786	BUZTXUQWZNCXJI-QMMMGPOBSA-N	229.280	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CO[C@@H](C)C1	1990774523	KCZXZOCBZYWPKO-CBAPKCEASA-N	229.280	-0.737	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCCN(CC(=O)O)C1	2003487121	DIFSDCQZDPOZHQ-QMMMGPOBSA-N	244.295	-0.689	50	10	BBGE	
CC[C@@H]1CC[C@@H](C)N1c1ncc(B(O)O)cn1	2004911120	CTSFVTBYKSJXJO-PSASIEDQSA-N	235.096	-0.076	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@H]1CC[C@@H](C(=O)NN)C1	2010834430	CMMJHLICTGBLJR-HRDYMLBCSA-N	242.323	-0.802	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CCC(=O)NC1	2012015102	KWWNBRHNZUSSLK-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCOC[C@@H]2C1)C(=O)NN	2013061929	FTEGFHVBPXIXJJ-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@]1(OC)CCOC1	2013413121	FWHQBXDKANEICS-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)CC[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2014906059	ZTZVKXXXVAGQMT-RNFRBKRXSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)C[C@H]1F	2014929247	KFGLVYKLIUNZPP-HZGVNTEJSA-N	242.034	-0.305	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)CC(=O)NNC(C)=O	2019210165	MAUOJYTVFUKECH-ZJUUUORDSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCCO1	2019213918	OUBLKXLZEYPVTB-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CC12CC(C(=O)NCC=CB(O)O)(CCO1)C2	2020056358	KDJMIUCFITWAEY-UHFFFAOYSA-N	239.080	-0.370	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1	2022197006	WIFHDSWRXSEWFP-VIFPVBQESA-N	233.076	-0.082	50	10	BBGE	
Cc1ccnc(N2C[C@H]3OCC[C@@H]3C2)c1B(O)O	2052473861	XVSISPIQFXAVGD-NXEZZACHSA-N	248.091	-0.705	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H](N(C)C)C1	2052622213	QXBMVSKFDIYWFR-NSHDSACASA-N	249.123	-0.790	50	10	BBGE	
Cc1cc(N2[C@H]3CC[C@H]2COC3)ncc1B(O)O	2052623048	DLJDYJGIGKOIHV-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
CCc1cc(B(O)O)cc([N+](=O)[O-])c1OC	2060060606	ZPXUKQZVOGLDSB-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1O)c1ccccc1B(O)O	2079011631	HCTIROIKMWLENP-GHMZBOCLSA-N	249.075	-0.990	50	10	BBGE	
Cn1nc(C(F)F)nc1C=CB(O)O	2210030382	RWGSQFNUVOWJBF-UHFFFAOYSA-N	202.957	-0.222	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@H]2Cl)ccc1=O	2210237100	YQFPMQYKXXRSKJ-SFYZADRCSA-N	240.646	-0.267	50	10	BBGE	
C[C@H]1CCC[C@@H](Cn2cc(B(O)O)cn2)O1	2210953993	OSRWTNHODBLYOO-WPRPVWTQSA-N	224.069	-0.480	50	10	BBGE	
CN(Cc1nscc1B(O)O)[C@H]1CCOC1	2211137143	BJEITKREVGUSDA-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
C#C[C@H](Oc1ncccc1B(O)O)C(C)C	2212603144	COFCMVZUBRZBGH-JTQLQIEISA-N	219.049	-0.202	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1C=CCC1	2214655863	INDBXRLFXNNTSD-SSDOTTSWSA-N	233.036	-0.939	50	10	BBGE	
C#CC1(CNc2ccc(B(O)O)cn2)CCC1	2217181356	ORQWUEVLDFUNAU-UHFFFAOYSA-N	230.076	-0.023	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNc1ncccc1B(O)O	2217183767	KYNPUCAFKQVHJS-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
Cc1cnc(N[C@@H]2CO[C@H](C)C2)cc1B(O)O	2217184768	RMOSOHDGAYMQNV-BDAKNGLRSA-N	236.080	-0.341	50	10	BBGE	
C=CCN(CCOC)c1ccc(B(O)O)cn1	2217195535	LESXXWBJHWHTQP-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CCC[C@H](C1)N2	2223631877	BYQYSBHQRYNYAA-AOOOYVTPSA-N	247.107	-0.908	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2223632394	JDXHBTJWLHQVLK-YFVNTRNASA-N	244.103	-0.148	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@@H]1CN	2223633838	BTHFZRJSRGYGQV-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCNC12CCC2	2223640424	WNSSVXOTWVIAEL-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
CC[C@@]1(Nc2ncccc2B(O)O)CCCNC1	2223644043	DCRJPHHYKTYXNF-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(OC2CC3(C2)C[C@H]3N)cc1B(O)O	2223650433	MGNKINLDZAJHGX-KRBLXSNTSA-N	248.091	-0.672	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1c1ncccc1B(O)O	2223667707	USAFIZYWGAWGMP-KOLCDFICSA-N	249.123	-0.533	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243348876	BDCOCBRGNOFGIP-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
CC1(F)CN(C(=O)c2ccsc2B(O)O)C1	2243359297	QKHJRKKHOGEURL-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C(=O)[C@@H]1C	2243365541	NZZWBVVRRBBEIL-RNFRBKRXSA-N	225.053	-0.366	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)C(=O)C1(B(O)O)CC1	2243365963	VLFZJUHKGZPCFD-HYORBCNSSA-N	247.125	-0.781	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccoc1B(O)O	2243400760	HNULIHTUBVRDNN-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(B(O)O)s1	2243407161	MKRPMDMNEPZCHI-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1occc1B(O)O	2243411354	RVCCSLCGZYFOOW-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
C=C(CS(=O)(=O)NCC(C)(C)CC)B(O)O	2243412066	GAQCQZCIIUWBJX-UHFFFAOYSA-N	249.141	-0.090	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243752817	NJTVVQQDCFSGAT-VQVTYTSYSA-N	229.041	-0.924	50	10	BBGE	
NCc1cn(CCNC(=O)[C@@H]2C[C@H]2Cl)nn1	2244563134	BBVCDBILDGBRDU-HTQZYQBOSA-N	243.698	-0.520	50	10	BBGE	
C=CC[C@]1(CO)CCCCN1CC(=O)NN	2244826219	HDSGJCDEPYIZIN-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
NC[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913287	OYAANISXIVZSKJ-XNCJUZBTSA-N	241.487	-0.826	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC2(CC2)C1	2247721357	CABQXAJIMHCKLT-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccoc2B(O)O)C[C@H]1F	2247738202	OEMUIJLQOIXYQL-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
CC(C)N(CCNC(=O)C#CB(O)O)C(C)C	2247743323	CAXPJPAMPSPWFZ-UHFFFAOYSA-N	240.112	-0.763	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)C1(B(O)O)CCC1	2247753374	GFLYQJIRYCYXLS-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1occc1B(O)O	2247753417	GUAAFGGMGKGTNH-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
CCCONC(=O)c1ccc(C)cc1B(O)O	2247760465	INANCTGFZAUDLC-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792488	SUKGTXFQRJDZKR-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)C2CC(B(O)O)C2)C1	2247799841	IXBMBTGVDHRVQW-AJIVMACJSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCO1	2247801128	XKAPFOUVYFGTFJ-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)C1	2247804043	DURDDVUTZNRROW-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247806900	GTWMVHGQLGCDIX-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
COCC1(CNC(=O)C2CC(B(O)O)C2)CC1	2247808618	VORKZILCDMGWSH-UHFFFAOYSA-N	241.096	-0.218	50	10	BBGE	
CCC1(N(C)C(=O)c2ccoc2B(O)O)CC1	2247866937	VODZYLUTJSZZHR-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC(F)F)n1	2247870363	ITYFCBVEQFEWKD-UHFFFAOYSA-N	244.006	-0.935	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2C(=O)C1(B(O)O)CC1	2247871951	KAMQKGMIUAJMLD-CBLAIPOGSA-N	238.096	-0.526	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N(C)CCF	2247873979	IKQQZFDSCYDYDI-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1ncc(B(O)O)cn1	2247888712	FCGUKBVSSDTIQZ-ZETCQYMHSA-N	237.068	-0.973	50	10	BBGE	
CC(C)OC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905735	VWVFQNPQWHIDTN-DTORHVGOSA-N	241.096	-0.125	50	10	BBGE	
N[C@H]1CCCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247909125	FRFBEVWGVUFKCR-AEJSXWLSSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)C2CC(B(O)O)C2)C1	2247909154	FWQWQICCNZADOD-WOOKNIGNSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2247962031	KKPLXMOTGYIZSG-HZGVNTEJSA-N	235.048	-0.790	50	10	BBGE	
C[C@@]1(CC(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248578567	NLHHNRKDTKOKSX-VIFPVBQESA-N	241.052	-0.541	50	10	BBGE	
COC[C@]1(C)C[C@@H]1Nc1ncccc1B(O)O	2248681529	ZXTZJGDRRQVHGE-ONGXEEELSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)COCN1C(=O)c1cc(B(O)O)co1	2249408065	DJILQAMNAQFNSV-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249417053	ZYRAFDHXPRJREB-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
CON(CC1CCC1)c1ncncc1B(O)O	2251003903	PYLZAJFVLAQFNA-UHFFFAOYSA-N	237.068	-0.676	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C(=O)[C@@H]2CCC[C@H]21	2255452680	ATKWOOVWQGPAAI-HTQZYQBOSA-N	249.031	-0.890	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1cccnc1	2255467884	SODPUCGQVAYMNG-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
C#C[C@@H](NC(=O)c1occc1B(O)O)C1CCC1	2255492629	OAMKZZPHCAIZNI-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cccc(F)c1B(O)O	2255499709	DGMKVECZINZBOR-MRVPVSSYSA-N	249.050	-0.046	50	10	BBGE	
C#CCCCNC(=O)c1ccc(C)c(B(O)O)c1	2255511550	LDNVMWZGFDTHDS-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2CCOC2)cc1B(O)O	2255512144	VQMRSZLLDZLHBI-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
N#CCCCCNC(=O)c1ncccc1B(O)O	2255521132	SGKGCUBMZDZZNO-UHFFFAOYSA-N	247.063	-0.815	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC[C@H]2C[C@H]21	2255523455	RUXQYMWMFWCYBF-WCBMZHEXSA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1n[nH]cc1B(O)O	2255546265	CCEQLBISZZFXPH-IONNQARKSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@H]2CC[C@H]21	2255553482	ZJYLDANRCQOSQG-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@H]2CCC[C@H]21	2255554730	QDFITHQHACFJGY-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)c(OC)c1	2255554801	RIPJJSCCCTYCOH-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CCC[C@H]21	2255671410	QROCASUSBNVQGE-DTWKUNHWSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC[C@@H]2C[C@H]21	2255690431	AMXIELUBGRHAQI-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cc(B(O)O)cn1C	2255692838	NVDMYKFCJJUMNA-MRVPVSSYSA-N	249.079	-0.873	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(B(O)O)c(C)c1	2258281732	ABZHMONSJHHAQX-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)ccc2O)C1	2261372505	QGSZQLSZCZFHNA-UHFFFAOYSA-N	247.059	-0.670	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962438	ADDGJNJHJHGSPS-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2C[C@]2(O)C1	2298165420	AAULTEQDCJKYHU-GUDRVLHUSA-N	239.319	-0.541	50	10	BBGE	
CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369976	KQQXPTWGINLKBO-AEJSXWLSSA-N	240.112	-0.693	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)OC1	2298374859	QHBIXKPNOPLCDV-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377089	DFMDPBGAXACIBS-DJLDLDEBSA-N	240.112	-0.565	50	10	BBGE	
Cc1cnc(OCC2CN(C)C2)cc1B(O)O	2299044461	MUBNUHZBKANXEO-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
Cc1cnc(OC[C@H]2CCN2C)cc1B(O)O	2299045719	CFAAPNJUBFIKPJ-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H](CO)C[C@@H](C2)C1	2303453069	RFWFKCCKJAYMGM-JGPRNRPPSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1cc(N[C@H]2[C@H]3OCC[C@@H]32)ncc1F	2303834620	IZUHYNUGTDUMNA-PDFZIDOMSA-N	238.027	-0.900	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1C[C@@H]1N	2303851927	HMHABHXILMSIAB-WATHFIQWSA-N	240.043	-0.985	50	10	BBGE	
OB(O)c1ccc(N2CCN[C@H]3CCC[C@H]32)nc1	2319230147	AEFUOJHAGJYBCW-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCl	40537800	NQOGNULZRHMKEX-PHDIDXHHSA-N	225.697	-0.226	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1ccccc1F	49819900	RIWOIYRBBMJDRZ-LURJTMIESA-N	225.223	-0.066	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C[C@H](Cl)C#N	139560515	UYPZKBDJZIWADY-RKDXNWHRSA-N	245.710	-0.046	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](N2CCOCC2)C1	163189090	RQHBBHKGFGFSTJ-WDEREUQCSA-N	248.754	-0.007	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@H](C)C(=O)O	165776114	LQVKQRGBFZPLEM-WDSKDSINSA-N	203.242	-0.129	50	10	BBGE	
O=CC1=CN=C2c3[nH]cnc3N=CN2[C@@H]1O	166047105	LMOLKZUUEQBMFF-SECBINFHSA-N	217.188	-0.454	50	10	BBGE	
COCc1nnc(-c2ccc(B(O)O)cc2)o1	202682492	ABCSOEDUJGIXOH-UHFFFAOYSA-N	234.020	-0.437	50	10	BBGE	
CN(Cc1nnc[nH]1)S(=O)(=O)CCCl	232300015	AYIPWMQWUSSICA-UHFFFAOYSA-N	238.700	-0.195	50	10	BBGE	
CC[C@@H]1CCN([C@H](COC)C(=O)NN)C1	300000180	ZCOHXLCZWGDNSK-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCN(CCCC(=O)NN)CCOCCO	304230317	KLPIFOALUBSFHT-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)C(=O)NN)C1CC1	324298313	KHGNXMFRKAAMFV-ZETCQYMHSA-N	213.281	-0.083	50	10	BBGE	
CCN(CC)[C@@H]1CCCN(CC(=O)NN)C1	382635478	MUBNMLSOTUWDSY-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(O)(CCC)C1	384156668	QLGARCAIKVZAIG-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CC(C)(C)C)NC(=O)C(=O)NN	384690662	WVUKJDOEBHTNKC-LURJTMIESA-N	201.270	-0.083	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C(N(C)C)[C@@H]2C1	384765437	OMPPENHSIASVRF-OPRDCNLKSA-N	240.351	-0.363	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(CN(C)C)C1	394437481	DUDVKPRSEMVTAC-BDAKNGLRSA-N	228.340	-0.506	50	10	BBGE	
C[C@H]1C(=O)NCCN1CCC(C)(C)C(=O)NN	395699908	HFLKPMCXKFYVAM-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1C(=O)O	396135671	XEAUDBDWZWONJO-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1ccc2sc(B(O)O)cc2c1C=O	396271431	IULDVYPMDLMEPG-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(NCc1sccc1B(O)O)C1CC1	404919752	SWBHTRWNXKAJBR-UHFFFAOYSA-N	225.078	-0.546	50	10	BBGE	
CCCCNC(=O)Nc1ncc(B(O)O)s1	405127035	ZSSNTRJBIPPGSO-UHFFFAOYSA-N	243.097	-0.256	50	10	BBGE	
CCOC(=O)Nc1cc(B(O)O)ccn1	405136809	KHPHYDQEVVGVAD-UHFFFAOYSA-N	209.998	-0.670	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN(C(=O)CCl)C1	642885356	FLSRGWNWWVDVOF-BQBZGAKWSA-N	206.673	-0.607	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@H](C)O)C(C)C	691407551	LHLUHIDBSZSQAZ-QMMMGPOBSA-N	231.296	-0.755	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]2N)CC1	692126001	YTXCWCRZDIZNAM-ZJUUUORDSA-N	237.303	-0.009	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](C2CC2)C1	694829112	MACZOQNEYZELMB-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnccn1	700076257	XAUOVURQAUTONJ-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
CO[C@](C)(CCl)CN=c1nn[nH]n1C	702533474	YFSQEIQWHWQNTN-SSDOTTSWSA-N	219.676	-0.312	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507666	CUPTZPLRFYNVCC-UYXSQOIJSA-N	242.323	-0.803	50	10	BBGE	
C[C@H]1CN(C[C@@H](O)CCl)CCS1(=O)=O	707159321	FECWKOMJOYISDT-YUMQZZPRSA-N	241.740	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708050811	MAJHTZSSIXCWOI-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1Cl)c1cnn[nH]1	710854520	QWKBTHKKUAIVOO-CAHLUQPWSA-N	230.655	-0.069	50	10	BBGE	
COC[C@H]1CCCCN(CC(=O)NN)C1=O	711525161	IWYWNBXTJABBHV-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2CC[C@@H](O)[C@H]1C2	721715526	JSSURRCTZIEPNG-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C]1CC=CS1	725711850	WWTXJZNQERWNDV-UHFFFAOYSA-N	249.080	-0.118	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)NC(=O)CCl	757146868	PAHRRHUXCXGSQE-BYPYZUCNSA-N	219.628	-0.979	50	10	BBGE	
CC[C@@H](N)CC(=O)N1CCC(O)(C#N)CC1	821980447	GFGXJWKBZBVZEH-SECBINFHSA-N	225.292	-0.009	50	10	BBGE	
CC(C)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	821981851	ZSIYYOSQMSZNEC-VIFPVBQESA-N	225.292	-0.153	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@]2(O)C1	882736591	NNBRVKHCFDIDSC-RITPCOANSA-N	211.670	-0.421	50	10	BBGE	
O=C(NNC(=O)c1n[nH]cc1F)NC1CC1	900385628	ZMZQXYPSTCMCMM-UHFFFAOYSA-N	227.199	-0.345	50	10	BBGE	
CCC/C=C\[C@H](O)C(=O)NN(C)C(N)=O	901279474	RMAFQVBCWFNQBM-RBSILHGTSA-N	215.253	-0.255	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ccc(F)cn1	913807859	VYSDZASTYKUFPD-MRVPVSSYSA-N	243.238	-0.204	50	10	BBGE	
CNC(=O)NNC(=O)C1CCN(OC)CC1	1335467014	SPUIQKRQKYDLQM-UHFFFAOYSA-N	230.268	-0.780	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)/C=C\Cn1cncn1	1350801812	VZSDRCGCBKBSRQ-ZBJFTSOASA-N	239.279	-0.822	50	10	BBGE	
O=C(NNCCO)C1CC(Br)C1	1881348374	DNCFDJPMTCEXBH-UHFFFAOYSA-N	237.097	-0.227	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)c1nc[nH]n1	1882166374	STAPPDMOHBCMCT-BYPYZUCNSA-N	224.673	-0.290	50	10	BBGE	
NC1CN(C(=O)NC[C@H]2C[C@@H]2Cl)C1	1883564624	VKTMHOIJMVQGKD-VDTYLAMSSA-N	203.673	-0.034	50	10	BBGE	
C#C[C@H](CCl)N=c1[nH]ccn(C)c1=O	1884829879	WYYWMOYEEFUBOB-SSDOTTSWSA-N	211.652	-0.145	50	10	BBGE	
C[C@H](COC[C@H]1CCN1C)C(=O)NN	1888715137	YCJRVHCMMDDZMA-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
ClCC#CCCNCCn1cnnn1	1892464651	VUZXIHZGUPGKJE-UHFFFAOYSA-N	213.672	-0.105	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCOCC1=O	1893845678	ASZPSVNXIDQKPG-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1C[C@H](OCCOCC(=O)NN)CCO1	1897965799	NODOXZMRIRYMGO-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
CO[C@H](C)[C@@H](NC(=O)C(=O)NN)C(F)(F)F	1900078336	MUTQHBFDNGDKOA-QWWZWVQMSA-N	243.185	-0.942	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@]1(N)C[C@H]1C	1901377201	LFTZHSHCTUUHHC-APPZFPTMSA-N	249.336	-0.575	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)[C@@H]1C	1903009661	GLETXFYAYVOAIP-RNFRBKRXSA-N	224.044	-0.255	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]1CN2CC(F)F)B(O)O	1910317631	RKWBFFAKLDFBFN-IUCAKERBSA-N	246.066	-0.422	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]21	1911061089	ONLOJAMGXYPDJC-BIIVOSGPSA-N	234.683	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CCOCC2)C1	1915589935	OMLDTSXNXKRUBA-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
CC1(C)C[C@H](O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1923163610	JDSGDSQYPPYJCO-KXUCPTDWSA-N	241.335	-0.295	50	10	BBGE	
COc1cc(C)ncc1C(=O)NNC(N)=O	1927178978	MFHQOUMQFLONSN-UHFFFAOYSA-N	224.220	-0.288	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2nnnn2C)C1	1928752843	JJHPJQZMIPXXLY-RNFRBKRXSA-N	230.703	-0.779	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC[C@H]1C	1929659143	JGFRRPSXHUYCBU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(F)C1	1930278107	RNHFPQHVBSTZKF-LURJTMIESA-N	205.233	-0.965	50	10	BBGE	
C[C@H](CN(C)CC(C)(C)CO)C(=O)NN	1931080534	KHJHOACYKHICGY-MRVPVSSYSA-N	217.313	-0.437	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)n1	1936086316	YEOZCALIRCWVAW-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CN(C[C@H]1CCCO1)C[C@@H]1C[C@H]1C(=O)NN	1936088371	MPXZPFYLVSNQBD-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
Cc1cccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936092499	UOSXKSOESJPSPU-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
OB(O)c1ccn(CC(F)(F)C(F)(F)F)n1	1936721241	UXAPJRYYKZYWJE-UHFFFAOYSA-N	243.928	-0.240	50	10	BBGE	
C[C@]1(CO)CCN(CC2(C(=O)NN)CC2)C1	1938231742	BZPZDPNCPCYLSH-JTQLQIEISA-N	227.308	-0.539	50	10	BBGE	
CC1(C)CCO[C@H]1CCNC(=O)C(=O)NN	1939281766	VYXWSBPBJFQRNY-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1OCCO[C@@H]1C	1940290477	AZUTYUGDQYBQBF-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
O=C(NNCCO)c1ccc([N+](=O)[O-])cc1F	1944215083	CZPGMSSAPZQISF-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
CN(Cc1cncn1C)C[C@@H]1C[C@@H]1C(=O)NN	1944729158	ZURLQILPOKTGNE-WPRPVWTQSA-N	237.307	-0.522	50	10	BBGE	
CC1(C)C[C@@H](CO)N(CC2(C(=O)NN)CC2)C1	1945912721	NHRRNASDCUDEHY-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CN1CCC(=CBr)C1	1953701100	VPHWLOKMSFKVFO-UHFFFAOYSA-N	234.097	-0.039	50	10	BBGE	
CC(CS(=O)(=O)C(C)C)=NNC(N)=O	1956776263	MBNGNJILUIVQCF-UHFFFAOYSA-N	221.282	-0.146	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)NCB(O)O	1959180009	CJRFXDUUNYKGQR-XINAWCOVSA-N	224.975	-0.297	50	10	BBGE	
CCOCC1CN([C@@H](C)CC(=O)NN)C1	1960429169	GOMDCKZVKZAILY-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CN(CCCN1CCCC1=O)C(=O)NN	1961476532	UDICVCWJMHLXNK-UHFFFAOYSA-N	214.269	-0.486	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C[C@H]2O)C1)C(=O)NN	1978183855	BJXXSWIRZYFSOM-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CN=[S@@](C)(=O)N1CCCC1)C(=O)NN	1979784078	FPYUHVYSVFNPMH-VPTHRUTESA-N	248.352	-0.279	50	10	BBGE	
OB(O)c1cnc(N2CCC23CCC3)nc1	1981414292	PZBJOBSCMRHKCG-UHFFFAOYSA-N	219.053	-0.711	50	10	BBGE	
OB(O)c1cnccc1Sc1cnccn1	1981454026	BZXGOBBFSQFUPO-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)n1	1981469582	VIFACUJBBJYLPS-KVPKETBZSA-N	236.105	-0.333	50	10	BBGE	
O=C1CN(C2C[C@H]3C=C[C@@H](C2)O3)CC(=O)O1	1982449318	YUHFNAUYSKQUCJ-CBLAIPOGSA-N	223.228	-0.142	50	10	BBGE	
COC[C@H]1CN(CCC(=O)NN)CC1(C)C	1982500022	PIRMRJVKSCPGGX-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1CNC(=O)CN1C(=O)NC(=O)CCCl	1985208505	PHDLUMNUDLGWTD-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CN(Cc1ccccc1O)C(=O)C(=O)NN	1989683797	FZEBPQWLENDAGS-UHFFFAOYSA-N	223.232	-0.660	50	10	BBGE	
CN(Cc1cccc(O)c1)C(=O)C(=O)NN	1989684142	JZBMNJWDLWDALG-UHFFFAOYSA-N	223.232	-0.660	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CCCO2)C1	1990775281	UDJICOXOUYXJFT-UHFFFAOYSA-N	227.264	-0.982	50	10	BBGE	
Cn1cnc(CCNC(=O)C=CC(=O)Cl)n1	1991655252	UARFIYQIVQTGID-UHFFFAOYSA-N	242.666	-0.205	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@](CO)(C(=O)O)C1	1991686112	OKMPUQLKIHBUFI-MATHAZKKSA-N	247.678	-0.091	50	10	BBGE	
COC[C@@H](OC1CCN(C)CC1)C(=O)NN	1992110465	IMYHKFRXASAYCM-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@H]1C[C@H]1C(=O)NN	1994707428	PBIUSBORORABKG-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC2(CCCC2)CO1	2001528251	LIAMWGQCQDGYSV-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
OB(O)c1ccc(N2CC3(CCCO3)C2)nc1	2004912768	XZLQSSKMPSULGA-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
C[C@@H](C1CCC1)N(C)c1ncncc1B(O)O	2004917683	XUDPCNLZXZUXEM-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CO[C@H]1CCN(c2cc(C)c(B(O)O)cn2)C1	2004918496	MMNZEPXCCYRKMJ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@@H]32)c1B(O)O	2004971801	WGUIWUCVHMREBT-BDAKNGLRSA-N	233.080	-0.546	50	10	BBGE	
Cc1cn(-c2nc(C)ncc2B(O)O)c(C)n1	2005008091	RJYDUIIZEFNXPF-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(CCCCC(=O)NN)CCO1	2005913933	VGQVYLJFTFZASN-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@@H](CO)C[C@H]3C2)CC1	2005992604	VAYZXPBIQHRXCN-AEJSXWLSSA-N	239.319	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006197103	FMMPDMRUSIYOQR-HPENLJRUSA-N	241.335	-0.175	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@H]21	2008730383	KOEWRMTVMQRYDX-IFFSRLJSSA-N	241.335	-0.154	50	10	BBGE	
CO[C@@H](C)COc1nc(C)nc(C)c1B(O)O	2011814516	DMMVEJMEFXYXNI-LURJTMIESA-N	240.068	-0.813	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2CCO[C@H]2C1	2012772549	LNNXOLOCQDENSC-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@]1(O)CCOC1	2013284172	KCWCLGGGXBELSD-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CCC(C)(C)C(=O)NN	2014231821	VCGHNEMJBRUMFU-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014822474	AQLCNYOLTBMCNZ-PSASIEDQSA-N	242.323	-0.837	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@]12C[C@H](CO1)C2	2018479948	SUFKLAYBBNLMCT-OTSSQURYSA-N	249.261	-0.278	50	10	BBGE	
C[C@@H]1CN(CC23CC(C(=O)NN)(CO2)C3)[C@@H]1C	2023852295	FKUMFHRIEFGPCN-WWAQEKKBSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@@H]3CF)(C1)C2	2023852748	IDOVSGHCWIVGRR-FBIMIBRVSA-N	243.282	-0.431	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@]3(CCO3)C2)c1	2035807403	ZEEWQSIRPYSSAM-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccc(B(O)O)cc2)c1	2051645245	FZYVILSKYWEQAO-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
OB(O)c1cccnc1N1CCOCC12CCC2	2052492597	URUQUGRIAIBGQQ-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ccccc2[C@@H](CO)C1	2056056335	GGGWDYFQNKRGQN-MWLCHTKSSA-N	249.314	-0.044	50	10	BBGE	
CCOc1c(C)cc(B(O)O)cc1C=O	2060146345	ODYMLHCNTOGXGT-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=Cc1cc(OC(F)F)c(F)c(B(O)O)c1	2060263700	USZOARWFIQUFPI-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
C[C@@H]1C[C@@H]1CCC(=O)Nc1ncc(B(O)O)cn1	2072095561	OCMXQWAMZHZJBR-SFYZADRCSA-N	249.079	-0.469	50	10	BBGE	
CC12CC(C1)N(C(=O)c1cccc(B(O)O)c1)C2	2079011511	FGUXQKADYCYHBG-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
OB(O)c1ccnc(NC2CSC2)c1	2210061165	RAPTXSLRYWWIDU-UHFFFAOYSA-N	210.067	-0.711	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1ccc(B(O)O)cn1	2212603253	NKZLZHUWIAKJJJ-VXNVDRBHSA-N	222.053	-0.649	50	10	BBGE	
CC[C@@](C)(CN)Oc1cc(B(O)O)ccn1	2212605446	FDSUKTVCIPHJIQ-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
C[C@H](N)[C@H](C)Nc1nccc(B(O)O)c1F	2212606015	MZOZLBMNWJOPSN-WDSKDSINSA-N	227.048	-0.952	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(CC(=O)NNC(C)=O)C2	2216681271	LNSWOQKPLDSDTL-MWLCHTKSSA-N	241.291	-0.736	50	10	BBGE	
CC[C@@H](N)C[C@@H](C)Oc1ncccc1B(O)O	2217171136	ATAMJFMAOUXUSW-RKDXNWHRSA-N	238.096	-0.344	50	10	BBGE	
CC[C@@](C)(CO)Nc1cc(B(O)O)c(C)cn1	2217183583	LZSKJPPILCUTQF-NSHDSACASA-N	238.096	-0.357	50	10	BBGE	
Cc1cnc(N2CCO[C@H]3C[C@H]32)cc1B(O)O	2217184864	RPQAYCAJCHJRNL-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
CN(CCCCCO)c1ncccc1B(O)O	2217202548	KVZRFZPQJDTHNA-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC23CCC3)[nH]c1	2217205295	WZBLXXOGTZKSFH-SECBINFHSA-N	232.092	-0.215	50	10	BBGE	
Cn1ncc2c1CN(C[C@H]1CC[C@@H]1C(=O)NN)C2	2221567267	NWEPSUUHXUGUND-SCZZXKLOSA-N	249.318	-0.248	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CCC23CCC3)[nH]c1	2223625833	FXAOQXCBAFGMOU-SECBINFHSA-N	247.107	-0.430	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1Nc1ncccc1B(O)O	2223633666	ZSNYXBWTQNQAGK-MNOVXSKESA-N	249.123	-0.344	50	10	BBGE	
Cc1cnc(N2CC[C@@](C)(CN)C2)cc1B(O)O	2223640204	JQSPCLFLLSASJL-LBPRGKRZSA-N	249.123	-0.755	50	10	BBGE	
Cc1cnc(NC[C@@]2(C)CCCN2)cc1B(O)O	2223642032	YCYGEHFVRXYNIT-GFCCVEGCSA-N	249.123	-0.376	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H](C)NC2)cc1B(O)O	2223653199	POOMUIRQYYTCIR-UWVGGRQHSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2CC[C@H]3O)nc1	2223676515	BYMVCYGLFSYEGD-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
O=C(NCC(F)F)C1CC(B(O)O)C1	2241481890	ZVMIAUHCVLXBTH-UHFFFAOYSA-N	206.985	-0.379	50	10	BBGE	
CC(C)(C)N(O)C(=O)[C@H]1C[C@H]1B(O)O	2242400589	UFSIOBYHNKUKSY-NTSWFWBYSA-N	201.031	-0.134	50	10	BBGE	
C[C@@H](C[C@@H](C)O)NC(=O)C1(B(O)O)CCC1	2243348350	XBPDQCJUULTZSG-JGVFFNPUSA-N	229.085	-0.341	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NC(=O)C1(B(O)O)CCC1	2243363284	DGYAECXPTVVPHK-XLPZGREQSA-N	227.069	-0.731	50	10	BBGE	
COC(=O)C[C@H](C)NC(=O)C1(B(O)O)CC1	2243364713	BFCDYNAGCMAUQK-LURJTMIESA-N	229.041	-0.939	50	10	BBGE	
CN1CC[C@](C)(NC(=O)C2(B(O)O)CC2)C1	2243366181	YJCRZNVWXIOXFF-VIFPVBQESA-N	226.085	-0.796	50	10	BBGE	
CC[C@H](O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243397136	WISJMWQKPQTIML-KHONBHQKSA-N	229.085	-0.485	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCCC1	2243409004	ZJWOOPJVWYNMNY-UHFFFAOYSA-N	223.037	-0.415	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243409263	DZMLLSZFZMNNBD-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)[C@H]1C[C@@H]1B(O)O	2243426968	OHXDSCRXQUCDNG-CIUDSAMLSA-N	226.085	-0.892	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)co1)C(C)C	2244222143	RWHDNDIPGKQMQV-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
CC[C@@H](OCCN1CCN(C)CC1)C(=O)NN	2247690152	NNJOISKYTSDPRJ-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750202	GDVAJVLQLVYPJI-GZMMTYOYSA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ncccc1B(O)O	2247769412	IEIVREBKSXJLJZ-MRVPVSSYSA-N	232.048	-0.790	50	10	BBGE	
COC(CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1)OC	2247792285	SCFRHEVOTBMRJZ-ZKCHVHJHSA-N	245.084	-0.683	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1F	2247798616	VWANVMTVRKQLSV-BGZDPUMWSA-N	245.059	-0.565	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1(C)CC1	2247805348	BMNVIMXBICCWHM-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247805705	KQQXPTWGINLKBO-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@H]1CC1(C)C	2247846770	MADXLFODXKPCKA-QMMMGPOBSA-N	237.064	-0.170	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3(B(O)O)CC3)C[C@@H]12	2247871508	CJDJASXBUKIILB-JQCXWYLXSA-N	238.096	-0.765	50	10	BBGE	
O=C(N[C@@]12COC[C@H]1C2(F)F)C1(B(O)O)CC1	2247871722	GWJQMIKOPYXBGL-XRGYYRRGSA-N	247.006	-0.856	50	10	BBGE	
C=C1CN(C(=O)Nc2ccccc2B(O)O)C1	2247980033	UZYSUMAGERJRHA-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
CC(C)(CCNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248573483	FKXUSRSVULWQAW-RQJHMYQMSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2248588030	YCEKZFWPONVULV-SSDOTTSWSA-N	241.052	-0.683	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2255734908	JJMUZRRRJKRLRK-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
CCC=C1CCN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255763882	SEMYLTFTJIGZPO-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255772695	BAGYKAIOZHRKDM-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC[C@H]2C[C@H]21	2261405918	LEXLHJIYDNFJGF-GXSJLCMTSA-N	247.107	-0.733	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H]2NC(=O)O[C@@H]2C1	2297048231	JOAUMFOTQJQRFD-DSYKOEDSSA-N	215.640	-0.090	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CC[C@H]2C1=O	2298165913	GDCYJODMRJMQHE-AXTSPUMRSA-N	237.303	-0.129	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)C1(B(O)O)CC1	2298368058	KIAHADXFDVEIHH-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298368888	BDQUTSZOXVLRAN-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2CNC[C@H]21	2298369020	GCPZSLUMSYPLEY-UTINFBMNSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@@H]21	2298371750	UIUBRULMSYXPKZ-VFCFLDTKSA-N	239.080	-0.779	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	2302023748	QHOMACTUMBDKGS-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2302494777	KUYPOEFABJCCOS-HBNTYKKESA-N	243.351	-0.049	50	10	BBGE	
C=C1C[C@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	2319329027	LKSOSBRPCUMWFY-GFCCVEGCSA-N	245.087	-0.099	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1cccs1	49815357	RDDWBEKSXSFBMX-RXMQYKEDSA-N	213.262	-0.144	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@H]1C(N)=O	71291823	KCLOAXLTODKJNN-VIFPVBQESA-N	242.323	-0.514	50	10	BBGE	
N#Cc1ccc(OCC(=O)NN)c([N+](=O)[O-])c1	76853147	PCQNRENWCFHHGX-UHFFFAOYSA-N	236.187	-0.165	50	10	BBGE	
NNC(=O)CCN1C(=O)CSC1=O	82468302	VUEXCAGKIMRZLT-UHFFFAOYSA-N	203.223	-0.938	50	10	BBGE	
CN1C(=O)C(=O)N(CCOCCCl)C1=O	82513467	WWSJLOXCGJKKTI-UHFFFAOYSA-N	234.639	-0.338	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1Cc2ccccc21	85578480	IGMCCJVSTXDCOY-MRVPVSSYSA-N	219.244	-0.568	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	86313585	PPOMEDNGUNVUMP-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
CSCCN(C)C[C@H](C)C(=O)NN	160209052	HNEJOJPNHYQUAI-ZETCQYMHSA-N	205.327	-0.093	50	10	BBGE	
CCNC(=O)CCNS(=O)(=O)CCl	163539200	GHIYIXFOQCZJKW-UHFFFAOYSA-N	228.701	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CO)C1	166153078	RVSLUXSZRIDQFC-CIUDSAMLSA-N	215.297	-0.685	50	10	BBGE	
C#CCNC(=O)NNC(=O)C(F)(F)F	170795050	OXZGETNZHJPHNU-UHFFFAOYSA-N	209.127	-0.488	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1ccnc1C	199006479	RPEQXXAVEVBLRF-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	210346577	YZYFOKXDBHHJLB-DTWKUNHWSA-N	228.101	-0.637	50	10	BBGE	
CCOC(=O)NNc1nc(C)nnc1N	238277616	AKAYIKLSLMENBZ-UHFFFAOYSA-N	212.213	-0.165	50	10	BBGE	
OB(O)c1c(C[C@H]2CCCN2)ccc2c1OCO2	258374031	NBQKZHAVCHUKKR-SECBINFHSA-N	249.075	-0.610	50	10	BBGE	
CCOc1cnn([C@@H](COC)C(=O)NN)c1	304440581	SSVKGACOAFXARI-QMMMGPOBSA-N	228.252	-0.541	50	10	BBGE	
CC[S@](=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	307292513	BPGRWOMVSWLPBS-YZGOCOMISA-N	245.753	-0.336	50	10	BBGE	
C[C@H](Br)C(=O)NCCc1nnn[nH]1	308145524	NRTPULVBCHISOP-BYPYZUCNSA-N	248.084	-0.358	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1CCO	308864115	KOHZTSKWEUYSBW-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CC(C)(CN1CC[C@H](O)C1(C)C)C(=O)NN	381034811	AEGKHKFUYRVKIL-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
N#Cc1cc(CO)c2ccsc2c1B(O)O	396227960	UHQLZASTSOAWOE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cc2c(B(O)O)csc2cc1O	396390465	XGJQTEROICKQGB-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CCCCC(=O)NN	399406018	IKAJQFMRVXIWNV-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](CO)C(C)(C)C	689786843	MRSWRCGSLUFLFS-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
COCCN(CCF)[C@H](C)[C@H](C)C(=O)NN	697059374	ZEEITDPLUUDABY-DTWKUNHWSA-N	235.303	-0.081	50	10	BBGE	
CC(C)(CN1CC(N2CCCC2)C1)C(=O)NN	697798344	HLOPMDPFGUKRMZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CN1CCN(c2nnnn2C)[C@@H](CCl)C1	699466047	ZSKGTMGUKUFQNC-ZETCQYMHSA-N	230.703	-0.431	50	10	BBGE	
CCc1cc(C(=O)NCB(O)O)n(CC)n1	702018670	YOVKWJKQCCGSEA-UHFFFAOYSA-N	225.057	-0.793	50	10	BBGE	
OB(O)c1ccn(CCc2cccnc2)n1	703771405	YNGLVMHRGFBOGK-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
C[C@H](CN(C)C)Oc1cccc(B(O)O)c1	713940610	UELXKWBSALTNCL-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCS[C@H](CO)C1	720074015	KBZFSBODOFIBHH-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
CCO[C@@H](C)C(=O)NNc1nnc(C)n1C	856050991	MZXOSGFMSVUDJO-LURJTMIESA-N	227.268	-0.008	50	10	BBGE	
COCCNC(=O)C(=O)NN=Cc1ccco1	1084436277	AFEIMNICFDBJLY-UHFFFAOYSA-N	239.231	-0.508	50	10	BBGE	
CCOC(=O)C/C(C#N)=C(/N)CC(=O)NN	1088672940	NEUPENDFZJSGCZ-SREVYHEPSA-N	226.236	-0.944	50	10	BBGE	
C#Cc1cncc(C(=O)NNC(=O)C(C)(C)O)c1	1154451447	PRHSLJPRSMBZPV-UHFFFAOYSA-N	247.254	-0.405	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cccnc1	1536594579	ASNWGYAJKPYINP-UHFFFAOYSA-N	243.226	-0.054	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](NC(N)=O)C(C)C	1568852414	IRZKGMWTFPLGLK-LURJTMIESA-N	246.267	-0.591	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cnncc1O	1626982596	NTDKNLNNTBDCML-UHFFFAOYSA-N	239.235	-0.464	50	10	BBGE	
N[C@@H]1C[C@@H]1CNC(=O)C=CC(=O)Cl	1877510216	IDRBSJNLZSSHLA-PHDIDXHHSA-N	202.641	-0.229	50	10	BBGE	
NNC(=O)NCCn1ncc(Br)n1	1882203184	XKBJOYVOMYHLGN-UHFFFAOYSA-N	249.072	-0.787	50	10	BBGE	
O=C(NCB(O)O)[C@H](F)C(F)(F)F	1882212531	PYFMYTLDCIPVPF-REOHCLBHSA-N	202.900	-0.985	50	10	BBGE	
CNCCS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883568592	XATLNBWMNJAVTL-BQBZGAKWSA-N	226.729	-0.248	50	10	BBGE	
O=C(O)[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883634396	JTCWAXVWZOFQJO-LMVFSUKVSA-N	207.613	-0.825	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(S)c1C	1887521098	PVOYQWNVTPQYNA-UHFFFAOYSA-N	226.062	-0.250	50	10	BBGE	
C[C@@H](Cl)C(=O)C1(S(C)(=O)=O)CNC1	1893426038	KDHIESKNMGBQBD-RXMQYKEDSA-N	225.697	-0.431	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	1897279392	HUKMLMOWNAHZOL-XRBOHMRVSA-N	223.276	-0.473	50	10	BBGE	
Cc1cc(C)n(Cc2nc(B(O)O)cs2)n1	1902657379	WKVLUTHFZBTOMZ-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C1CSC1	1903005638	JGXOZBGFASKSJX-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
C[C@H](OC[C@H]1CCc2nccn21)C(=O)NN	1904711506	KLZFADLODCALNY-JGVFFNPUSA-N	224.264	-0.235	50	10	BBGE	
C[C@H]1CC(N(C)C(=O)NN)C[C@H](C)S1(=O)=O	1905136988	HJQGTLISHKYPDH-BQBZGAKWSA-N	249.336	-0.144	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC12CC2	1915587505	KKXQOKQYMPWTMC-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CCN(C[C@H]1CC[C@H](C(=O)NN)O1)C1COC1	1915653519	LLKDKIHDUZEBMG-NXEZZACHSA-N	243.307	-0.755	50	10	BBGE	
CCN(CCCC(=O)NN)C1COC1	1915659413	ZPCKQOKQIJDJHH-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@@H](C)Br)C1	1917121410	FQAFTINCIGMWQP-ZCFIWIBFSA-N	232.077	-0.024	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CC(=O)O)CC1	1926925243	SIFCDHSBHNHFNQ-UHFFFAOYSA-N	243.263	-0.907	50	10	BBGE	
CCN(CCOC)CC(F)(F)C(=O)NN	1927817021	WEBQPUSIYHNSGN-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
COC(=O)CCSC[C@H]1C[C@H]1C(=O)NN	1927918696	WCYSTJOIAZXFHS-RNFRBKRXSA-N	232.305	-0.091	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1COC[C@H]1CO	1928736307	UERWNLPGKSFXLA-QYNIQEEDSA-N	207.657	-0.263	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)[C@H](C)CCO1	1929668123	MELIEFJMYRFDMT-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
O=C(Cn1cncn1)NC[C@H](Cl)CF	1930555174	HJPPKWORUAEXRX-ZCFIWIBFSA-N	220.635	-0.029	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NN)[C@@H]1C	1934286545	ILDLZICPORODKN-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1CCC(=O)NN	1934787222	KKNHCOIZQFLHJE-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@H]1C(=O)O	1935410522	XDXBNWAMKNULFZ-NKWVEPMBSA-N	215.253	-0.127	50	10	BBGE	
COC[C@H](C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1936087368	BFXWTALOLYHULV-KXUCPTDWSA-N	229.324	-0.173	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1936090230	HDYOIZFNDUZICI-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)[C@@H](F)C1	1936093415	DQLVJUYUZBFDCB-LURQLKTLSA-N	231.271	-0.983	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC(O)C2)C1	1937043515	SZWGTMSLYQGGEW-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](O)(C(C)C)C1	1937982002	QVXNKWOHYYZTCP-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1F	1938231728	BUBWRSZUMVFDJU-YUMQZZPRSA-N	231.271	-0.575	50	10	BBGE	
C[C@]1(CO)CCCN1CC1(C(=O)NN)CC1	1938234942	ZXPWCWKNNBUPHF-SNVBAGLBSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941070972	DIUMWNCGJVTORR-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)[C@@H]1CO	1941088058	OPWJREWDELHUHJ-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
CN(Cc1cnccn1)C[C@@H]1C[C@H]1C(=O)NN	1941088877	HGZLOGDTFLXFOO-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
C[C@H]1N(CCOCC(=O)NN)CCOC1(C)C	1941773402	XRDFVCJOFJRZMW-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1C(N)=O	1942615870	LHMBTJXBSJTRRN-DJLDLDEBSA-N	242.323	-0.803	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3(CC3)CO2)O1	1944577126	RORLNZSEOWYVDN-DTWKUNHWSA-N	241.291	-0.449	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc(OC)cc1OC	1944779825	JIPYGEWIRKLCDG-LURJTMIESA-N	244.251	-0.922	50	10	BBGE	
O=C(C1COC1)N1CCC(B(O)O)CC1	1951321848	JNMCHEZJTHVDMZ-UHFFFAOYSA-N	213.042	-0.902	50	10	BBGE	
C[C@H]1CC[C@@H](CC(=O)NNCCO)O1	1955617260	LXTWLORSOLGZJA-YUMQZZPRSA-N	202.254	-0.443	50	10	BBGE	
CCN1CCN(CC(=O)NN)[C@H](C)C1	1955654012	OHYXAQGUNKTZBX-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CC[C@@H]2C[C@@H]2C1	1957503725	HJNJHQFPUHKPRM-PRJMDXOYSA-N	211.265	-0.377	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2CC[C@H]2O)[nH]1	1958989178	GVNHPWVDSVXSFS-RFZPGFLSSA-N	229.671	-0.620	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	1961234351	AKSBMTYESYTCON-HTQZYQBOSA-N	213.281	-0.646	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1nc(B(O)O)cs1	1961717990	ITTDCKSYJDBMBB-WDSKDSINSA-N	230.073	-0.240	50	10	BBGE	
COC[C@H]1CN(CC(=O)NN)CC1(C)C	1962493434	QYKGMMBBXMWYMS-MRVPVSSYSA-N	215.297	-0.419	50	10	BBGE	
OC[C@@H](O)CN1CCCN(CCCl)CC1	1975010069	NHTYXNSIBAVDOM-JTQLQIEISA-N	236.743	-0.414	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H]2C1	1975104860	VCXJQICDRYZOTL-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
CN(CC(=O)NN)Cc1nc(C2CC2)no1	1976744517	IFYCTSVACODXTQ-UHFFFAOYSA-N	225.252	-0.631	50	10	BBGE	
NNC(=O)CN1CCC[C@H](n2cccn2)C1	1981053986	QMTWPVVDQJBPLE-VIFPVBQESA-N	223.280	-0.490	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ncc(B(O)O)cn2)C1	1981409080	IOGYPTBEROLQOL-JGVFFNPUSA-N	221.069	-0.609	50	10	BBGE	
Cc1ccnc(N2CC3CC2C3)c1B(O)O	1981413133	BTOHFTSGQWIFNT-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
CC[C@@H]1CCN1c1ncc(B(O)O)c(C)n1	1981447071	IGEHITMVKACPJL-MRVPVSSYSA-N	221.069	-0.546	50	10	BBGE	
Cc1cnc(N2CCSCC2)c(B(O)O)c1	1981469831	YYAKMDIBPREQPF-UHFFFAOYSA-N	238.121	-0.377	50	10	BBGE	
NNC(=O)NC1CCN([C@H]2CCOC2)CC1	1981609410	MZPZLBJSNXDEOE-VIFPVBQESA-N	228.296	-0.587	50	10	BBGE	
COC[C@]1(C)CCN1CC1(C(=O)NN)CC1	1982945431	WFLWFYFDUQLJJP-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC(C)(C)CCn1cccc(B(O)O)c1=O	1984100896	DBULTFGZHYYATF-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@H]2C[C@H]2CO1	1984446138	DBDYZZBHLFFXLL-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)CCCN1CC[C@]2(C1)C[C@@H](O)C2	1985675073	RETDALADHKTXKM-JGZJWPJOSA-N	227.308	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCSC[C@@H]1C	1990773220	SPMMNFBPFVCRJF-QMMMGPOBSA-N	245.348	-0.019	50	10	BBGE	
CC[C@H](C)S(=O)(=O)N[C@H]1CCC=C1B(O)O	1991331787	PSRZSQSXVHLQKL-CBAPKCEASA-N	247.125	-0.195	50	10	BBGE	
CO[C@H]1C[C@@](CO)(NC(=O)/C=C/C(=O)Cl)C1	1992272131	RJLGHZGZMUPHPB-FALZNHHYSA-N	247.678	-0.036	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C[C@H](C)O)C[C@@H](C)O	1997349117	ARUPIWOWSBVZDQ-KXUCPTDWSA-N	247.339	-0.791	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@H]2CC[C@H]21	1997529563	MOGJWFXRMDNTNU-URLYPYJESA-N	231.060	-0.039	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)O	1997993986	AOZSFJKVHDBXOJ-CSMHCCOUSA-N	243.263	-0.796	50	10	BBGE	
CC(C)OCCN(C)c1ccc(B(O)O)cn1	2004919342	XROSMOWYXWUQON-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC(C)(CCN1C[C@@H]2[C@H](CO)[C@@H]2C1)C(=O)NN	2010995666	RVCIPACTUUEXBW-ILWJIGKKSA-N	241.335	-0.437	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011298021	SSNMJTMZELAGET-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
Cc1cc(CN2CC(=O)OC(=O)C2)nnc1C	2013188319	PBFVMTWDOZGCCL-UHFFFAOYSA-N	235.243	-0.021	50	10	BBGE	
NNC(=O)c1cc(CN2O[C@H]3C=C[C@H]2C3)on1	2021851203	DMJPHIWWLHNSCM-BQBZGAKWSA-N	236.231	-0.278	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]2C1	2052470460	DWGBGDNOLGBFKB-KXUCPTDWSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnc(-n2cnc(C3CC3)n2)c(F)c1	2052601578	AXFHQUCDZBRELC-UHFFFAOYSA-N	248.026	-0.641	50	10	BBGE	
COc1nc(N2CC[C@@H]3C[C@H]3C2)ncc1B(O)O	2052623347	IHJMUFKNJAZLBP-SFYZADRCSA-N	249.079	-0.989	50	10	BBGE	
CCOc1cc(B(O)O)cc(C=O)c1F	2060112601	RECJLUITRHYPAP-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cccc(B(O)O)c1	2079011115	ZERUYXOYJXHLCA-UHFFFAOYSA-N	245.087	-0.150	50	10	BBGE	
O=C1COC[C@H]2CN(CCCl)CCN12	2209872897	JRTHQYRXJGDMPB-MRVPVSSYSA-N	218.684	-0.232	50	10	BBGE	
NNC(=O)CCN1CC(CCCO)C1	2210006926	ZRTVPKVEOJCEKU-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@]1(C)CO	2211780117	APPGXNRGACJPJV-IQJOONFLSA-N	227.308	-0.376	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(OC)C1	2212333476	CDUXNZWSVABULK-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
CCC[C@H](C)CN=c1ncc(B(O)O)c[nH]1	2212601184	KCFZFUJCLMVPEV-QMMMGPOBSA-N	223.085	-0.574	50	10	BBGE	
N#Cc1ncccc1OC[C@H]1C[C@H]1C(=O)NN	2214887309	UVUPHPDTCAFUGR-HTQZYQBOSA-N	232.243	-0.042	50	10	BBGE	
CN(C)CCCN(C)C[C@H]1CC[C@H]1C(=O)NN	2215770835	DVLGVXYDARPILX-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H](F)C[C@@H](O)C1	2215775498	HHRBCOZPMQIUST-QEYWKRMJSA-N	245.298	-0.593	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C2C[C@@H]3C1[C@@H]3C2	2217178942	CSQPLEGVGQFHIF-BYTZZDKMSA-N	230.076	-0.172	50	10	BBGE	
CO[C@H]1CC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217184740	RFRJRXLOUCBNAF-WPRPVWTQSA-N	236.080	-0.980	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185640	ZSEZJKPYIMFYNA-RNFRBKRXSA-N	242.059	-0.264	50	10	BBGE	
C[C@H]1CCN[C@H]1COc1cc(B(O)O)ccn1	2217185692	AGWMPNXEFJQSAI-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CCC(CC)(CN)Nc1ncccc1B(O)O	2217203427	UZDFIFLWKAAYTB-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
OCC12CC(CN1Cc1cccc(B(O)O)c1)C2	2220062370	KMLUBAJGSKAMRA-UHFFFAOYSA-N	247.103	-0.677	50	10	BBGE	
O=[N+]([O-])c1cn(Cc2cccc(B(O)O)c2)cn1	2220065727	QSQAHHQXGSMCRZ-UHFFFAOYSA-N	247.019	-0.481	50	10	BBGE	
NCC1CC2(CCN2c2cc(B(O)O)ccn2)C1	2223637657	GXKVHSBWUJPSTQ-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
N[C@@H]1C[C@H](COc2ccc(B(O)O)cn2)[C@H]2C[C@H]21	2223664744	ZGUHBBFXIJXUEJ-QCNRFFRDSA-N	248.091	-0.877	50	10	BBGE	
CC(C)N1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223672860	ICDRMPPWSSSGQV-LLVKDONJSA-N	249.123	-0.344	50	10	BBGE	
C[C@H](C#N)CNS(=O)(=O)N1CC(Cl)C1	2241353059	BFSXVTCMYHNEJQ-ZCFIWIBFSA-N	237.712	-0.097	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)C#CB(O)O	2241472288	QAMXQTXZKNKFBB-RXMQYKEDSA-N	204.969	-0.838	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCCC2)C1	2243357598	YXMFDISTVWOZNV-UHFFFAOYSA-N	221.065	-0.206	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)C1(B(O)O)CC1	2243363681	KOJVTNIFQGUZJA-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1[C@H]2COC[C@H]1C2	2243391777	OEFLKCYLGNYQLC-GEPGNKONSA-N	225.053	-0.761	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(C(F)F)C1	2243392728	WLMFWICDTJWUCM-KBTIHESUSA-N	233.023	-0.037	50	10	BBGE	
CCNCCCNC(=O)C1(B(O)O)CCC1	2243398914	VEHWZIFAGUCWQG-UHFFFAOYSA-N	228.101	-0.501	50	10	BBGE	
CC[C@@]1(C)C[C@H](NC(=O)C#CB(O)O)CO1	2243403654	AQFMIQUCGGKGPU-WPRPVWTQSA-N	225.053	-0.924	50	10	BBGE	
COC[C@H](C)CNC(=O)C1CC(B(O)O)C1	2243413874	PBGXRQWZUIVBAY-AFPNSQJFSA-N	229.085	-0.362	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243414462	BGBFCBPBSYGXCO-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
C#CCN(OC)C(=O)c1ccsc1B(O)O	2244271315	ATYFIQGAQVMNJJ-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
C#CCCCCC(=O)NCCC#CB(O)O	2244548099	KLIYBSMCUWPLRL-UHFFFAOYSA-N	221.065	-0.298	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CC1	2245107816	XSFHXGNFNUYMAV-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247738307	PWNBAKVOYJMOIV-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@@H]2CC[C@H](C1)O2	2247740612	NBJXMJQFEKPTNN-PBINXNQUSA-N	237.064	-0.924	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CCC1	2247740952	RYXXPNKRCYASRJ-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CCOC[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247743285	BJJOEOCWBAZIBZ-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC2(CCC2)CO1	2247748056	XCKCPSSSDDGPPQ-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
O=C(NCC12CC(CCO1)C2)C1(B(O)O)CC1	2247751634	ZSZJUJWTZCKCHI-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247753836	AEQOFZVOWDUOBI-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2247776160	VBPXPJYFHAOORE-HTQZYQBOSA-N	234.064	-0.853	50	10	BBGE	
COC(=O)[C@H](C)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247800430	OZHPESYKAUHAIJ-CSMHCCOUSA-N	243.068	-0.883	50	10	BBGE	
C[C@@](CO)(NC(=O)C1CC(B(O)O)C1)C1CC1	2247803555	BTKRSDUAVAGHSF-FBUXNDKQSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2247805158	JRQOVVVOIZOKDF-PEBLOWIWSA-N	240.112	-0.519	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1Cc2cncnc2C1	2247808952	NJOGZKDUIHXPLC-HTQZYQBOSA-N	233.036	-0.818	50	10	BBGE	
C[C@](N)(CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2247809779	RGZFJUWWHBBSNT-QXEWZRGKSA-N	240.112	-0.517	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)oc1B(O)O	2247855756	XSVGEGXDSJGQAI-QMSLJYSESA-N	235.048	-0.594	50	10	BBGE	
C=CCCN(C)C(=O)c1cncc(B(O)O)c1	2247869169	MXWDJFQWLIQROY-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
CC1CC(CO)(N(C)C(=O)C2(B(O)O)CC2)C1	2247875489	ZINMTCFCBQAQAC-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1C(=O)C1(B(O)O)CCC1	2247875531	XOJVKEVUHMOFFZ-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
O=C(N1CCC[C@@H](CO)CC1)C1(B(O)O)CC1	2247877512	BMSGNYRJNJPGSU-SECBINFHSA-N	241.096	-0.386	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2247897101	NYSZYYFYYYNAGK-OPRDCNLKSA-N	243.112	-0.143	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCC12CNC2	2247899988	RZQJEMDXMCONQQ-KYZUINATSA-N	238.096	-0.796	50	10	BBGE	
O=C(O)C1CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2248568985	OREQDSXJDGYNKB-RLXKETGRSA-N	241.052	-0.924	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1cc(B(O)O)co1	2249417065	ADRGZFKJOBENLW-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CC[C@H]2C1	2249427265	DASRDUOYFUDTGO-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COC[C@H]1C2	2249930000	KXBCGLAZPGBQDR-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
O=C(Nc1ncco1)c1ccncc1B(O)O	2252747922	WYNIIXWFSNEYST-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CCc1cnn(-c2nc(OC)ccc2B(O)O)c1	2254596999	IFMYKILWOJHZLS-UHFFFAOYSA-N	247.063	-0.482	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255461988	PEIFSXYESJQDPU-NXEZZACHSA-N	248.091	-0.387	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3ccoc3B(O)O)C[C@@H]21	2255464797	BCMUCVYSZHEXNJ-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1ccoc1B(O)O	2255467889	SQGPFODRQFLFDV-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1(C)CC1	2255517319	BPNRTNZJPMXIRD-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1nccc(C)c1B(O)O	2255688389	VLTRDKFRVOFBGC-VIFPVBQESA-N	248.091	-0.284	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1[C@H]2CCC[C@H]21	2255718935	GDIMKWJGXNOFCP-AKZRSSKFSA-N	249.075	-0.204	50	10	BBGE	
CN(Cc1cccnn1)C(=O)C1(B(O)O)CCC1	2255745541	XVFOPAMIVLPGJA-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)oc1B(O)O	2255780488	XCGVGZUJIGDXHZ-IUCAKERBSA-N	249.075	-0.250	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@H]21	2255890801	BIYGPNSFAPRQCO-LDYMZIIASA-N	246.075	-0.008	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2258120441	BPTQMAILAFCRHK-MIBSWOBISA-N	247.059	-0.560	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]1C1CC1	2298370064	NHLFYUUSZKMZPA-IMSYWVGJSA-N	239.080	-0.779	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2CCO[C@H]2C1	2298375209	ADAXXWYANJSKSC-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2[C@H](C1=O)C2(F)F	2298376264	PEEDJWNELPTAEQ-KVTDHHQDSA-N	244.990	-0.901	50	10	BBGE	
COC[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2298377045	BQBRFSQVKFJSDI-OPRDCNLKSA-N	243.112	-0.116	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2298530109	HXOYIIUCTFSRHO-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
N#Cc1ncn(CCC[C@@H]2C[C@@H]2C(=O)NN)n1	2300382662	IPBAUJDZUSEJPR-SFYZADRCSA-N	234.263	-0.444	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN[C@@H]2CCC[C@H]21	2302885262	OEHFROQZOXGDMW-SGIHWFKDSA-N	238.096	-0.798	50	10	BBGE	
COC[C@@](C)(CN1CC[C@](C)(B(O)O)C1)OC	2303136412	SVMQYJPUSDNOKS-WDEREUQCSA-N	245.128	-0.023	50	10	BBGE	
CC[C@@](C)(CN1CCNC(=O)CC1)C(=O)NN	2303424518	SDJHIOUNEIDLHS-NSHDSACASA-N	242.323	-0.786	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2[C@H](CO)[C@@H]2C1)C(=O)NN	2303426970	UAOVOZLUWKIIFH-DTHBNOIPSA-N	241.335	-0.437	50	10	BBGE	
OC[C@@H]1[C@@H]2CC[C@@H](C2)N1c1ncccc1B(O)O	2312612175	FSXUGCRPRHVKDX-WCABBAIRSA-N	248.091	-0.889	50	10	BBGE	
C[C@H]1CNC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317206632	AHDIZZZGKDFNEU-UFBFGSQYSA-N	246.075	-0.775	50	10	BBGE	
CNC(=O)CCNC(=O)NC(=O)[C@H](C)Cl	45014423	MZWADUDGJZTYCY-YFKPBYRVSA-N	235.671	-0.424	50	10	BBGE	
CN1CCC(N(C)CCC(=O)NN)CC1	58837061	OKKIQJSAFGBIHP-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
COc1cccc(CC(=O)NNC(N)=O)c1	70044549	PPNUHVHEXUPFSW-UHFFFAOYSA-N	223.232	-0.063	50	10	BBGE	
N=C(N)c1cc(C(=O)NN)c(F)c(F)c1F	75851297	YBWPTEJKMMCEGE-UHFFFAOYSA-N	232.165	-0.009	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccccn1	82467739	HCPGFTYKUZTURC-UHFFFAOYSA-N	208.265	-0.107	50	10	BBGE	
NNC(=O)CCCCSc1nncn1N	82472931	YQRLKPUEMPIDTG-UHFFFAOYSA-N	230.297	-0.756	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCN(C)C	82544098	ZHYWNYQOKNOFSU-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
COC(=O)CN1C(=O)CC(C)=C(C#N)C1=O	101144679	XLXUJZQUYCTTRC-UHFFFAOYSA-N	222.200	-0.242	50	10	BBGE	
COCCCN(CCOC)C[C@@H](C)C(=O)NN	110590330	QNEARBBWTKQKOW-SNVBAGLBSA-N	247.339	-0.403	50	10	BBGE	
COCC(C)(C)N1CC(=O)OC(=O)C1	135154002	PPBIWYAPDCBRHM-UHFFFAOYSA-N	201.222	-0.203	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@@H]1CCS(=O)(=O)C1	157957608	ULAJUSMMPGDFEE-SFYZADRCSA-N	241.740	-0.295	50	10	BBGE	
COCCNC(=O)[C@@H](C)NC(=O)CCl	161793484	VVBFAVPSNOLMOP-ZCFIWIBFSA-N	222.672	-0.508	50	10	BBGE	
CN(C)NC(=O)c1ccnc(NN)c1F	164231897	QNXWPQAITQZEQS-UHFFFAOYSA-N	213.216	-0.287	50	10	BBGE	
CNC(=O)CNC(=O)CCBr	168344352	UPWONOGOMQOVNS-UHFFFAOYSA-N	223.070	-0.366	50	10	BBGE	
Cn1cnc(CCNC(=O)NCN=C=O)c1	170294296	PKHQLRBYXSMBDM-UHFFFAOYSA-N	223.236	-0.445	50	10	BBGE	
O=C1NC(=O)[C@@H]2C[C@H](Br)CN[C@H]2N1	208897690	ZNGUCFCGLOHRPA-LMVFSUKVSA-N	248.080	-0.475	50	10	BBGE	
CC(=O)N[C@H]1CCN(CC(C)(C)C(=O)NN)C1	228341518	CVCPPYPMSJFOCY-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
COCCc1ccccc1NC(=O)C(=O)NN	229589795	FRPDNMBSIWQNKL-UHFFFAOYSA-N	237.259	-0.196	50	10	BBGE	
CC[C@H](C)CN(C)[C@@H](COC)C(=O)NN	232419132	FKKWRZHMAVWJFF-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCC[C@H]2C1	232420615	MKLANPPCEAVCLA-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
COC(=O)[C@@H](Br)CN[C@H](C)CO	234603969	MMDIXIKXBHYMJU-RITPCOANSA-N	240.097	-0.107	50	10	BBGE	
C[C@H]1CN(C)CCN1CCCC(=O)NN	235578747	PJFLVNZWILMVLP-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
O=C(CCl)OC[C@@H]1CN2C(=O)C[C@@H]2O1	238534960	KCGJRNLZPIQVQE-FSPLSTOPSA-N	219.624	-0.274	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253178146	HCXXVULHZCTZMX-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)[C@H](C)C1	253201204	UJIBOKQTHBFHJY-UTINFBMNSA-N	229.324	-0.296	50	10	BBGE	
NCc1ccc2c(c1)N(C(=O)NN)C(=O)CO2	258709848	HTGHMUUHOPUVCS-UHFFFAOYSA-N	236.231	-0.546	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)OC	274324081	YDKIYKBGSDNTBP-CRCLSJGQSA-N	216.193	-0.817	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC(O)(CO)CC1	306161756	GPOCCPXQQWOUCS-SSDOTTSWSA-N	221.684	-0.041	50	10	BBGE	
C[C@H]1COCCN(CCC(=O)NN)C1	306745461	JOMMJQLPBMFYPY-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](Br)C(=O)N1CC(C(N)=O)C1	307033165	RBJDWEDOLYXIOX-BYPYZUCNSA-N	235.081	-0.287	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COC[C@H]1Cl	307588745	YJPYHSJHLBPGOY-RITPCOANSA-N	228.701	-0.611	50	10	BBGE	
COCCN(C)Cc1cc(B(O)O)ccc1C	313771302	SHZQHWVJVXQOGE-UHFFFAOYSA-N	237.108	-0.247	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CC(C)(C)C(=O)NN	384937660	TZGCWIMLIXWJOD-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCSC[C@H]1CO	388175849	LNWUZZAMWAEXAR-MRVPVSSYSA-N	233.337	-0.834	50	10	BBGE	
CN(C)CCN(C)[C@H](C(=O)NN)C(C)(C)C	395815752	OCYUTFVCXGBGOZ-SECBINFHSA-N	230.356	-0.116	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(O)cc1B(O)O	396026866	XAMFFKOEWAHBNC-YFKPBYRVSA-N	228.440	-0.118	50	10	BBGE	
O=C(O)c1sc2cccc(B(O)O)c2c1O	396374754	BPCKIMOYAJBUSM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CON(C)C(=O)CNC(=O)[C@@H](C)Cl	397527773	IUUFVIQZFOTNOC-RXMQYKEDSA-N	208.645	-0.250	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1CC(=O)NN	402792626	SXNQIJUVCSLBMR-QMMMGPOBSA-N	212.297	-0.855	50	10	BBGE	
Cc1nnnn1-c1cccc(NCC(=O)NN)c1	586324008	SRIBZOAVLZUHRK-UHFFFAOYSA-N	247.262	-0.627	50	10	BBGE	
CN(CC1=C=S=C(Cl)N1)C1CNC1	642825049	SXKSWKBJUPOZJO-UHFFFAOYSA-N	217.725	-0.162	50	10	BBGE	
COc1cc(C(=O)O)cc(OC)c1B(O)O	687750183	VXAMYIVBQZMDPB-UHFFFAOYSA-N	225.993	-0.918	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C[C@H](C)CO	688402383	OZZWNZYEKMHOSI-UWVGGRQHSA-N	231.340	-0.049	50	10	BBGE	
CO[C@@H](Cn1cc(B(O)O)cn1)c1ccccc1	694547310	DDEVWJYANRQBHU-LBPRGKRZSA-N	246.075	-0.049	50	10	BBGE	
COCC[C@@H](CCl)NC(=O)c1nnn(C)n1	697222217	MMJFOMIDTFGSBG-LURJTMIESA-N	247.686	-0.416	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1nc(C(=O)NN)co1	703550030	FINJABUAZPLGSB-HTRCEHHLSA-N	241.247	-0.170	50	10	BBGE	
CNNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1	707543827	MIVLHTLUUBBTSR-VIFPVBQESA-N	225.292	-0.114	50	10	BBGE	
CCOC[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	707564842	PWEHLKPHCARDTJ-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCNC(=O)CC1(C)C	708099095	FRMZJXSQTANOPX-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NCB(O)O)C1	717022247	DKLCPDYDACCOCG-SSDOTTSWSA-N	215.058	-0.680	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCS[C@@H](CO)C1	720069169	NPISYNMGYGOWTA-RKDXNWHRSA-N	247.364	-0.589	50	10	BBGE	
CNC(=O)NNC(=O)CCOCC1CC1	751359721	CTTQFEJKFFIEMC-UHFFFAOYSA-N	215.253	-0.237	50	10	BBGE	
COC[C@H](C)C=NNC(=O)[C@H]1COCCO1	755891642	JCCJCEMXVSZHMG-RKDXNWHRSA-N	230.264	-0.214	50	10	BBGE	
O=C(Cn1ccnc1)NNc1cnccn1	775277662	PFNCLGNUMAUNFD-UHFFFAOYSA-N	218.220	-0.184	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NN(C)C(=O)NCC	907253290	SGFDKYFWUSBDGF-PTYLAXBQSA-N	215.253	-0.384	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	908516355	AVVWPXIQEDDLLJ-UESWHYPVSA-N	242.275	-0.360	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc2nn[nH]c2n1	1136416226	HHEWXVQDRUMPRE-UHFFFAOYSA-N	249.234	-0.683	50	10	BBGE	
CN(NC(=O)c1cc(C=O)n(C)c1)C(N)=O	1137625307	ICNFGBYATYERPQ-UHFFFAOYSA-N	224.220	-0.507	50	10	BBGE	
CC(CCCO)=NNC(=O)c1cn(C)nn1	1330648960	NWXVBTJPDWDIEU-UHFFFAOYSA-N	225.252	-0.307	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)c2cn[nH]c2)n1	1461838322	VIGVIKCIQZUYED-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NN	1615892101	ZVDPDKRBBAYCOQ-BQBZGAKWSA-N	245.279	-0.342	50	10	BBGE	
CCNC(=O)NNC(=O)c1nsnc1O	1631194363	YLGHXPZHPJQIKN-UHFFFAOYSA-N	231.237	-0.792	50	10	BBGE	
CCn1cc(CC(=O)NNC(=O)OC)nn1	1648397552	ZYTPHQLFWLZKRK-UHFFFAOYSA-N	227.224	-0.772	50	10	BBGE	
NC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1Br	1881353756	MPHMASQJBVYSLS-SRQIZXRXSA-N	237.097	-0.794	50	10	BBGE	
C[C@H](NC(=O)NCCCl)S(C)(=O)=O	1884047109	CGAXHIVHVJWKRE-RXMQYKEDSA-N	228.701	-0.085	50	10	BBGE	
O=S(=O)(C(F)F)N1CC[C@@H](B(O)O)C1	1891517525	PLEYUKZOMZZNMH-SCSAIBSYSA-N	229.013	-0.913	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@H]1O	1897226961	NDXBMBMRCMDPKC-ATXJSMISSA-N	246.694	-0.559	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1898239345	XDXGTWXZQRZGLB-QCLAVDOMSA-N	227.308	-0.687	50	10	BBGE	
CN(NC(=O)[C@H]1CC[C@H]1N)S(=O)(=O)C1CC1	1901359519	YMEIAXHJVWJQNE-JGVFFNPUSA-N	247.320	-0.821	50	10	BBGE	
CCC1(OCc2nc(B(O)O)cs2)COC1	1902652668	HTPAQJFVIZRGKA-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
CC(C)OCCOCc1nc(B(O)O)cs1	1902657902	FCBFEYSZCIGOPS-UHFFFAOYSA-N	245.109	-0.236	50	10	BBGE	
OB(O)c1csc(COC2CCOCC2)n1	1902658829	UGJQYIXPRGNZIY-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
CO[C@H]1CCN(CCCC(=O)NN)[C@@H]1C	1914334078	FEUKYKYJTQOYHC-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)C1(C)C	1914334437	HHZFDCWIRLLRSB-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C(F)(F)F	1923418970	TWUHAYOGFJXBFB-SCSAIBSYSA-N	200.160	-0.108	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCOC1	1927913803	NFHUDBHIYZUSFE-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CO	1927916629	QVMGKMXQYBKHTI-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
CCC1(O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1927917433	KTECBPIPAMXIOL-HTQZYQBOSA-N	213.281	-0.931	50	10	BBGE	
CCc1nc(C(=O)NCB(O)O)cs1	1928486308	YINPEWSNJAUNQA-UHFFFAOYSA-N	214.055	-0.553	50	10	BBGE	
COc1cnn(CC2(C(=O)NN)CC2)c1	1931268157	DEMWSIZEDZPAIN-UHFFFAOYSA-N	210.237	-0.338	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	1935793496	HDYCPBOBHFQWNP-ATZCPNFKSA-N	226.324	-0.752	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)[C@@H](C)COC	1935930757	JAFYMZMWEFNCIO-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
C[C@H]1C[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)CO1	1936090225	HDYOIZFNDUZICI-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
CON(C)C1CN([C@H](C(=O)NN)C(C)C)C1	1936112225	WUKQUZZBKYWLRN-VIFPVBQESA-N	230.312	-0.822	50	10	BBGE	
Cc1ccnc(CNC(=O)C(=O)NN)c1F	1938690570	JGKKMGCSWYQBAV-UHFFFAOYSA-N	226.211	-0.865	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H](O2)C1=O	1941091037	UHURDFCRYCRDCH-BZNPZCIMSA-N	239.275	-0.998	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2[C@H](C1)[C@@H]2CO	1944547000	FWIXOAQKCSBCDS-NZHYYXIDSA-N	239.319	-0.827	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)C[C@H]1O	1945884047	KNNWTGWAMWWUQB-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
Cc1ncn(CC2(C(=O)NN)CC2)c(=O)c1C	1945889150	MHAREMLIAQWBCX-UHFFFAOYSA-N	236.275	-0.370	50	10	BBGE	
CC[C@H]1CCCCN1C(=O)NCB(O)O	1951320121	CWJFTIZNMCJIDF-QMMMGPOBSA-N	214.074	-0.028	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@H]2COC[C@@H]21	1955249142	OKEUMRQMLRUWQN-ACZMJKKPSA-N	241.696	-0.796	50	10	BBGE	
C[C@H](CCl)C(=O)NCc1nc(=O)o[nH]1	1956990641	QZXHEXZZCKAJNG-SCSAIBSYSA-N	219.628	-0.146	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@]2(CNC(=O)N2)C1	1974906923	AGYOFBDPLGHKHU-MUWHJKNJSA-N	231.683	-0.102	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnn(C)c1Cl	1979281816	YXILNOBGALBHNF-LURJTMIESA-N	245.714	-0.116	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H]2C[C@H]2CO)[nH]1	1982118203	XSRMMTIHQOANPU-RITPCOANSA-N	243.698	-0.515	50	10	BBGE	
Cn1cnc2sc(C(=O)NNCCO)cc21	1982495623	BYQBFHBVFLRSOB-UHFFFAOYSA-N	240.288	-0.139	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)O[C@@H](C)C1	1990774548	KLMXHWDRDXDCEH-YUMQZZPRSA-N	229.280	-0.737	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C)C[C@H]1C)B(O)O	1992147129	ZJJDHHMNGRZQQB-KOLCDFICSA-N	226.129	-0.173	50	10	BBGE	
C=C(CN1CCCN(C)C[C@H]1CC)B(O)O	1992160621	YYGDDJNDZIVMLU-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
NC(=O)C1[C@H]2CN(c3nnc(CCl)o3)C[C@H]12	1993433286	FKZVUYGVNVGVFP-WHFBIAKZSA-N	242.666	-0.024	50	10	BBGE	
C[C@@H]1C[C@]1(F)Cn1cc(B(O)O)ccc1=O	1995033375	FSIDJXPCHWCJDJ-XCBNKYQSSA-N	225.028	-0.724	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)c2cccnc2O1	2004296808	AAPZQFLQHARULA-LURJTMIESA-N	236.231	-0.815	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@H]1CO2	2004917883	GHHQZZMLAGAUFG-IUCAKERBSA-N	234.064	-0.871	50	10	BBGE	
CN(CCOC1CC1)c1ccncc1B(O)O	2004918990	SQRMZWVZJSLQCJ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@H]3C[C@H]3C2)nc1	2004929422	KVOQNIJPQPRQTH-OYNCUSHFSA-N	234.064	-0.276	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)C[C@H]1F	2004929878	OTTQANLAZVDDIA-WCBMZHEXSA-N	238.071	-0.054	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)c2ncccc2B(O)O)CO1	2004934306	DLRNMHFTLLVZFC-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CC[C@H]1COCCN1c1ncccc1B(O)O	2004936320	XYYROJWANPQJPH-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CCCCOCCOc1ccncc1B(O)O	2004951977	PLLYCYRABUYWCP-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC2=O)cn1	2007741237	OXFLTBBYSWLADL-UHFFFAOYSA-N	235.247	-0.790	50	10	BBGE	
C[C@@H]1OCC[C@H]1COc1cncc(B(O)O)c1	2008407958	MCJGHISQWOLEAJ-IUCAKERBSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H]1CNC(=O)CN1CCCCCC(=O)NN	2010569536	SJKZAJYACHQDIV-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC[C@H](CO)C2)C1	2010836149	WZFFHQHRTOJQLW-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H]2CF)n1	2011854161	ISVHVUDXHDLHPX-SSDOTTSWSA-N	241.270	-0.433	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1ccc(B(O)O)c(F)c1	2014605658	RZOGVIRNKWWOKH-HQJQHLMTSA-N	240.039	-0.081	50	10	BBGE	
CC(C)C1CC(Oc2ncncc2B(O)O)C1	2014614481	UILYUMNMUVXNER-UHFFFAOYSA-N	236.080	-0.030	50	10	BBGE	
Cc1ccc(O)cc1C(=O)NCC#CB(O)O	2021157844	RTXMOFJCPRWDQC-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
C=C(CN(C)[C@H]1C[C@H]2CCCN(C1)C2)B(O)O	2021158547	FDMBSADXOJIWFU-NEPJUHHUSA-N	238.140	-0.029	50	10	BBGE	
NNC(=O)C1(Cn2cnc(C3CC3)cc2=O)CC1	2033706650	BEOSDWIKCNAMDF-UHFFFAOYSA-N	248.286	-0.109	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@]12CC[C@@H]1C2	2039756968	YIUUHSZNYFDQAN-MFKMUULPSA-N	245.087	-0.217	50	10	BBGE	
Cc1ocnc1CN(C)c1ncncc1B(O)O	2052468400	CJJMSRUGWTVSSE-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
O=C(CN1C[C@@H]2C[C@H](C1)N2)NNc1ccccn1	2053415490	JEEXUDSTYHZRJS-AOOOYVTPSA-N	247.302	-0.429	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@H]32)cn1	2056636963	XBUCJUCIULDFIT-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
O=Cc1ccc(F)c([N+](=O)[O-])c1B(O)O	2060056494	TWPYFVQNLNJYAB-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	2069653399	GCZIKDAWIMZDFL-DTWKUNHWSA-N	249.075	-0.413	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]3COC[C@H]32)cc1	2077844053	LVXPSFGYLYXNHJ-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
CCN1CC[C@H](O[C@@H](COC)C(=O)NN)C1	2212259266	COPLZDBBOLNJRJ-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](C)CNc1ncccc1B(O)O	2212602157	ZLPFPSOAANIVTA-QMMMGPOBSA-N	224.069	-0.544	50	10	BBGE	
CC=CCCCOc1ncc(B(O)O)cn1	2212608038	GLKHAEMXVYOPAN-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
C=CC[C@@H](CC)Nc1ncc(B(O)O)cn1	2212611359	ZQRKKNYHCIGIGX-SECBINFHSA-N	221.069	-0.077	50	10	BBGE	
C[C@]1(COCCCCC(=O)NN)COCCO1	2216070892	MVOQDYKGAKCEBH-NSHDSACASA-N	246.307	-0.031	50	10	BBGE	
OB(O)c1cccnc1NCC1[C@H]2COC[C@H]12	2217177343	HZCHXWZFQRISSO-RKDXNWHRSA-N	234.064	-0.934	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cnc1=O)C(C)(C)C	2217406940	XTNMXOQDOMKRDD-MRVPVSSYSA-N	238.096	-0.395	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC=CCC1	2217411325	RXLAPUZKDOCXRA-SECBINFHSA-N	234.064	-0.721	50	10	BBGE	
CC1(C)OC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	2217467835	ABPYPOBCJMMIGP-WDSKDSINSA-N	241.247	-0.630	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC2(CC2)CO1	2223639591	SGEDQSBXNAVILB-VIFPVBQESA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(N[C@H]2CCNC[C@@H]2C)cc1B(O)O	2223653791	UTTHCGABJOCZGH-ONGXEEELSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41	2223665602	HEBQLDUGPXHLDP-QNBDIFAHSA-N	242.087	-0.316	50	10	BBGE	
CC(CO)(CO)C(=O)NC[C@@H]1C[C@H]1Cl	2241247919	XCIMGIPSBMREPN-NKWVEPMBSA-N	221.684	-0.279	50	10	BBGE	
CC(C)(F)CNC(=O)C1(B(O)O)CC1	2241480428	IUQDUUVWUXEXPT-UHFFFAOYSA-N	203.022	-0.142	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)NNC(N)=O	2241600666	TWWHURBWJZGTIB-XNCJUZBTSA-N	201.226	-0.642	50	10	BBGE	
CN(C(=O)N[C@H]1CCC=C1B(O)O)C1CC1	2243091894	GQHGSJDXYKIKBZ-VIFPVBQESA-N	224.069	-0.109	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ncsc1B(O)O	2243359600	UVELXQPBJAXZSZ-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
CC[C@@H](COC(F)F)NC(=O)C#CB(O)O	2243361556	CUINBDPXINIMEW-LURJTMIESA-N	234.995	-0.864	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(OC(F)F)C1	2243396096	HHKIALGNAYXRAH-WDSKDSINSA-N	234.995	-0.701	50	10	BBGE	
CN(C)CCCNC(=O)C1(B(O)O)CCC1	2243397793	JCSKUDVOCLRUFO-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243404696	SGGBXLGRUXBNMC-JGVFFNPUSA-N	226.085	-0.940	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)cn1CC	2243410293	YWGAMXVUMABPAZ-UHFFFAOYSA-N	224.069	-0.672	50	10	BBGE	
C[C@H](O)CN(C(=O)C1(B(O)O)CC1)C1CC1	2243410801	HZPSULQCAWTHSY-ZETCQYMHSA-N	227.069	-0.635	50	10	BBGE	
C=CCNC(=O)c1c(B(O)O)sc(C)c1C	2243413663	LGEQOFQCAGWGCS-UHFFFAOYSA-N	239.105	-0.039	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2243417829	XGIUNDLLZOCZSX-MAUMQABQSA-N	226.085	-0.894	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]1C2)B(O)O	2243419683	DZXLMVSNCZWYIM-IUCAKERBSA-N	245.109	-0.631	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CC(F)C2)s1	2243427024	PDYLJEKMOIAPAP-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
C#CCC(=O)N[C@@H](C)c1cc(B(O)O)cs1	2243684603	CQYRKSPKGCWFLV-ZETCQYMHSA-N	237.089	-0.372	50	10	BBGE	
O=C(CC1(C(=O)O)CCCC1)NCB(O)O	2245268892	UVXQDDPFHFRSQF-UHFFFAOYSA-N	229.041	-0.850	50	10	BBGE	
O=C(Nc1ncco1)c1nscc1B(O)O	2245939147	CWZAMIFAKSEPRD-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2CC2(F)F)n1	2247232700	IGDZNDQTTHXURQ-LURJTMIESA-N	244.990	-0.444	50	10	BBGE	
CC(C)[C@@H]1COCCN1C(=O)C1(B(O)O)CC1	2247749847	ALIAVSSOEHJRII-VIFPVBQESA-N	241.096	-0.123	50	10	BBGE	
C=CCCNC(=O)c1cc(C)cc(B(O)O)c1	2247752474	PXVUCVPTKXPGOX-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CCCO1	2247760322	GJIQDQMQSVDYSY-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
CCC[C@H](CC)NC(=O)c1n[nH]cc1B(O)O	2247782311	TUMBSCNHAVNISC-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
CC[C@@H](C)NC(=O)c1c(B(O)O)cnn1CC	2247795923	QDWNUCNGPRYMRZ-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
CC(C)N(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247799421	CXECHFUHGUJVLJ-OPRDCNLKSA-N	242.128	-0.306	50	10	BBGE	
O=C(N1[C@H]2CC[C@H](O)[C@H]1CC2)C1(B(O)O)CC1	2247855083	MZTUVYNGJHYZCF-HLTSFMKQSA-N	239.080	-0.492	50	10	BBGE	
CC1=CCN(C(=O)c2ccncc2B(O)O)C1	2247872099	MWNNMYLDUFUMAH-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)C1(B(O)O)CCC1	2247880023	XMKYGORDYQPKOJ-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CCO[C@H]2C1	2247895762	BNCJSYMORBNSGV-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
O=C(Nc1cncc(F)n1)[C@H]1C[C@H](B(O)O)C1	2247896216	YCKKJLSZGRUPHZ-IZLXSQMJSA-N	239.015	-0.193	50	10	BBGE	
O=C(N[C@]12CO[C@](CF)(C1)C2)[C@@H]1C[C@H]1B(O)O	2247898181	AZMYPUCIXMCERM-KHUVANEUSA-N	243.043	-0.763	50	10	BBGE	
O=C(N[C@H]1CC12CC(O)C2)[C@H]1C[C@H](B(O)O)C1	2247898966	IYDZIVUTYHCIKM-IAACVSQYSA-N	239.080	-0.731	50	10	BBGE	
CNC1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247899295	MDZXYZGOYCBFFE-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)CO1	2247900688	YWOXCLBWZJBMSI-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
CC=CC(=O)Nc1ccc(B(O)O)cc1OC	2248396852	FRMRNBVYQJFCBA-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
O=C(O)[C@@H]1CC=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248573652	HWOOEQMYBXTIMV-PRJMDXOYSA-N	239.036	-0.909	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)C1CC(B(O)O)C1	2248594772	YZDCFGVKQDXDKI-JECWYVHBSA-N	241.052	-0.615	50	10	BBGE	
O=C(NC1CCCNCCC1)[C@@H]1C[C@@H]1B(O)O	2248633450	WRCSQNFOISURRJ-ZJUUUORDSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1cocc1B(O)O	2249410196	MIQWYALGHGFYFO-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@]1(C)CC1(C)C	2250949438	JZNGPHVRFXPCNE-NSHDSACASA-N	235.096	-0.219	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1coc(B(O)O)c1	2251013204	CDXFGOUTGUHWNE-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1ccncc1B(O)O	2255445949	ZNORXGDQKFFDGL-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1ccncc1B(O)O	2255458741	VXLQPYXYZNXZBJ-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255461259	FHBLGQPRFOBZAY-JTQLQIEISA-N	246.075	-0.774	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@@H]2CC[C@@H]21	2255685502	BGAZYTXVHLRWSG-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@@H]1C1CC1	2255734560	CMMMTTREKYAOTE-SNVBAGLBSA-N	248.091	-0.671	50	10	BBGE	
Cc1ccnnc1CNC(=O)C1(B(O)O)CCC1	2255745634	OWNUEBRCYBAGNN-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
COc1ccc(N)c(C(=O)NCC#CB(O)O)c1	2258872913	ZQMIUQMINFNLMJ-UHFFFAOYSA-N	248.047	-0.977	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1	2258948206	TXDAEJLOGNJBQG-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cnn(C2CC2)c1	2258959080	LUDUVELVFYYIAE-UHFFFAOYSA-N	247.063	-0.647	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@@H]1C[C@@H](O)[C@H]2O	2297233210	FKPRSSMHZXVWCN-AYHNYZOXSA-N	219.668	-0.290	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	2298167894	GDCYJODMRJMQHE-QEYWKRMJSA-N	237.303	-0.129	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@]2(C(=O)O)CO[C@H]1C2	2298336541	XEUKFRRBRRRJCC-MHYGZLNHSA-N	243.263	-0.606	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)CC12CC2	2298368477	GWSJHOMPQVLLQK-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)N3CC[C@H](B(O)O)C3)C[C@@H]12	2303107670	ZMFOVKVHGSXHGO-CKEKPRIKSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@](C)(Cn1ccnc(C)c1=O)C(=O)NN	2303434593	MINCCYOXPUDNHF-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
C=C[C@H](C)CCN=c1cc(B(O)O)c(F)c[nH]1	2303850078	PMNDZOFMBSUAHF-QMMMGPOBSA-N	238.071	-0.054	50	10	BBGE	
CC[C@@](CN)(C(=O)O)N1CCC(O)(C#N)CC1	2305448665	RFKIYDBNATZSSK-LLVKDONJSA-N	241.291	-0.471	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2306868835	CUTFXILYDLYNFA-BBBLOLIVSA-N	242.128	-0.352	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1ncccc1B(O)O	2312612268	LSWLZDQMWVTSTB-UUTMEEIUSA-N	247.107	-0.701	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317305837	GQZQJFVATRTXOC-NWDGAFQWSA-N	249.075	-0.232	50	10	BBGE	
C[C@H](CC#N)N(C)c1ccc(C=O)c(B(O)O)c1	2317310449	AQSLQMXOPMWTTR-SECBINFHSA-N	246.075	-0.083	50	10	BBGE	
NC[C@H]1C[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317312897	OIQBFBCHBDBPSM-JLIMDTESSA-N	249.075	-0.705	50	10	BBGE	
C[C@@H]1CCCCN1CCCNC(=O)C(=O)NN	58850594	DBAOJXHYNPCQEL-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC[C@H](OC[C@@H]1CCOC1)C(=O)NN	82465617	DRSWLXHUGNMRRU-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](CO)C1	82465809	PGZFGPNEHDLQSN-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
O=C1CNC(=O)N1CCOCCCl	82513439	QETYEDZQZHPZOB-UHFFFAOYSA-N	206.629	-0.206	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCOCC1	86313284	JWGXLNVVZCKQPO-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CC(=O)NC(C)C	110591267	BHLUAMLAUZVDBP-SECBINFHSA-N	244.339	-0.399	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)C(C)(C)CO	128752566	HLGDKEZDYKVLGD-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
CC(=O)NNC(=O)COc1ccc(O)cc1	167484938	IIWDZBOQSCNMEV-UHFFFAOYSA-N	224.216	-0.062	50	10	BBGE	
OB(O)c1ccc(OCCn2cncn2)cc1	199004582	HUJKKCZDKATEDB-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
NNC(=O)c1ccc(-n2cncn2)cc1	205146818	NIIOLVAORJYKCG-UHFFFAOYSA-N	203.205	-0.129	50	10	BBGE	
COC(=O)c1c(F)cc(B(O)O)cc1OC	205994595	CAVWVVTUPBGDLC-UHFFFAOYSA-N	227.984	-0.699	50	10	BBGE	
CN(CB(O)O)C(=O)[C@@H](N)Cc1ccccc1	207117191	KDVOARBWNWWCAF-JTQLQIEISA-N	236.080	-0.973	50	10	BBGE	
CN1CCN(CC(=O)NN)[C@@H](c2ccccc2)C1	223066200	ZLNOTXJQTXUGMC-GFCCVEGCSA-N	248.330	-0.035	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C1CC1	223071808	ZCDIOQWSDCKMNT-BDAKNGLRSA-N	213.281	-0.382	50	10	BBGE	
CNC[C@@H]1CCCN([C@@H](C(=O)NN)C(C)C)C1	223122258	MQBLCSGIGBJUKA-WDEREUQCSA-N	242.367	-0.068	50	10	BBGE	
COC[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	234739211	KBKHJVNAZALROZ-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CS[C@H]1CCC[C@H]1NC(=O)C(=O)NN	235227652	LXOPPHIQBRTZRY-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
O=C(O)CSc1ccc(B(O)O)cc1	238624979	LMKGWKHREZNETG-UHFFFAOYSA-N	212.035	-0.457	50	10	BBGE	
O=C(O)c1cncc(B(O)O)c1Cl	238636360	ODDKSRAOALLINW-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1N(C)C	251614577	DPXMACCNRGZEJH-NXEZZACHSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253200798	UHPCRHYHKWWFRZ-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[C@H]1O	253201974	USMLJFTVSKKOAZ-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
NC(=S)NNC(=O)NCC(F)(F)F	306255258	OWEFFNWPBIMMTA-UHFFFAOYSA-N	216.188	-0.404	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1S	307112394	PLAKIUSXMZRPKC-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nc1N)N(C)C	309231228	XMJWHITWTOQFEX-UHFFFAOYSA-N	224.268	-0.373	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(N)c1C(=O)NN	309330217	VNNMLOXKOGHIAE-UHFFFAOYSA-N	226.192	-0.211	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(OC)C1	379849408	AGMHGEMPWLZCOF-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H](CC)CO	382104860	PIXPSAKUSWKTHE-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
COC(=O)/C(C#N)=C1\NCC[C@H]1C(=O)OC	390235301	KEDQRLMVYFTJFO-VALLEEFXSA-N	224.216	-0.280	50	10	BBGE	
CNC(=O)NNC(=O)CCNCC(F)(F)F	390618147	HNRDOEHICDZZIH-UHFFFAOYSA-N	242.201	-0.511	50	10	BBGE	
CCC[C@H](OC(COC)COC)C(=O)NN	390654914	OMEXMJJXKKIXBA-VIFPVBQESA-N	234.296	-0.177	50	10	BBGE	
CN(CC[S@](C)=O)S(=O)(=O)CCCl	398933436	PTDMSJQHOAUMLK-LBPRGKRZSA-N	247.769	-0.135	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)CC[C@H]1C	399397666	FHBZMYQLKROENU-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)c(F)c1	404985303	NNBUVKMVARMHLA-UHFFFAOYSA-N	243.068	-0.193	50	10	BBGE	
CCOC(=O)N(C)Cc1ccc(B(O)O)cc1	405149604	PWFVRYOHEBTQON-UHFFFAOYSA-N	237.064	-0.045	50	10	BBGE	
COCCOC1CN(C[C@@H](O)CCl)C1	687972581	NFACEXSDDSPWBM-QMMMGPOBSA-N	223.700	-0.067	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2ccc(N)n2)CC1	692112975	GSKSZCMDUXSHGX-UHFFFAOYSA-N	249.274	-0.658	50	10	BBGE	
CCn1nc(C)cc1Cn1cc(B(O)O)cn1	694536368	QSNLSUIPBQVTKX-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
CCN1CC[C@H](N2CCC(O)(C#N)CC2)C1=O	694831203	QYLXJCLZWIHQNK-JTQLQIEISA-N	237.303	-0.042	50	10	BBGE	
CCCO[C@H]1CCN(CCC(=O)NN)C1	706421003	YQMDZSAPSIOKJS-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCC[C@H]1CN([C@@H](C)C(=O)NN)CCO1	708942886	DFCYIQPXJLVXAO-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCc1nc(S[C@@H](COC)C(=O)NN)n[nH]1	714108891	RFESYJRWNUIKPZ-YFKPBYRVSA-N	245.308	-0.536	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H](F)[C@@H](F)C2)O1	714558885	RSKAROLLYHGDPU-XGEHTFHBSA-N	249.261	-0.484	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2COC[C@H]2C1	718160791	OPYUVHIZZOBWDM-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)NC[C@H]1CCCCNC1=O	725612013	RYDFVBPNZYUWQR-ZCFIWIBFSA-N	200.242	-0.924	50	10	BBGE	
O=C1C[C@@H]2CCN(C(=O)CCl)C[C@H]2N1	725665723	YQCGVDPKHUZBEL-NKWVEPMBSA-N	216.668	-0.038	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)CC1COC1	771605086	DACMJKCDAQFGJR-UHFFFAOYSA-N	237.259	-0.177	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	780907043	FJDCJSQLQQCANH-RNJXMRFFSA-N	227.264	-0.238	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1OC	822548220	YFGMRUODTDLESP-PHDIDXHHSA-N	217.294	-0.511	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1ncc[nH]1	854638016	UZJONESJUXYJOB-ZCFIWIBFSA-N	224.220	-0.650	50	10	BBGE	
CN(N)C(=O)c1nnn(C)c1C(F)F	885912479	WJAWFHTWPQBZDJ-UHFFFAOYSA-N	205.168	-0.302	50	10	BBGE	
CO[C@H]1C[C@H](CNCc2ccc(B(O)O)cc2)C1	895540234	VEWMHVZXWXGKBY-AULYBMBSSA-N	249.119	-0.119	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H](C)c1ccnn1C	910145603	CFVIUAKNKUTRII-IUCAKERBSA-N	240.307	-0.133	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)Cc1ccc(C#N)nc1	910184053	QAGRWHYFCMKMSA-SECBINFHSA-N	248.286	-0.160	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)C[C@@H](C)O	910185567	XSDSRPXYCBBMIZ-HRDYMLBCSA-N	244.291	-0.471	50	10	BBGE	
O=C1C[C@@H](Cl)NC(=O)N1c1nccnn1	953055051	TUNQYANQCVZAHX-BYPYZUCNSA-N	227.611	-0.117	50	10	BBGE	
O=S(=O)(CCCCl)NC[C@H](O)CF	1260061449	UMMRFKKKZBRFQV-ZCFIWIBFSA-N	233.692	-0.135	50	10	BBGE	
CN1CC[C@H](CC(=O)N2CC[C@H](B(O)O)C2)C1	1262159669	FIYQTQWJKKYVGL-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)c2cc[nH]n2)c1C	1300691849	OMCTVQZRUXLJIB-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
C[C@@H](NNC(=O)C1(O)COC1)C(F)(F)F	1301179497	AAGNDIGMCNGEFR-SCSAIBSYSA-N	228.170	-0.681	50	10	BBGE	
CO[C@H](C(=O)NN(C)C[C@@H](C)O)[C@@H]1CCOC1	1332629638	WFNKHXMFUMAROR-BBBLOLIVSA-N	246.307	-0.618	50	10	BBGE	
C=CCN(C)C(=O)c1cc(B(O)O)ccc1F	1567821399	MSXBPWAPPBRMMR-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1coc(C=O)c1	1616527674	VTDASYOZJRLMNY-UHFFFAOYSA-N	240.215	-0.376	50	10	BBGE	
NC(=S)NNC(=O)[C@@H](F)C(F)(F)F	1882213006	VURFGFUGMPPARO-PVQJCKRUSA-N	219.163	-0.249	50	10	BBGE	
NC1(C(=O)NCC(Cl)Cl)CC(O)C1	1883255646	KSFLRNWMTATKPD-UHFFFAOYSA-N	227.091	-0.242	50	10	BBGE	
CN(C)NC(=O)N1CC(F)(C(=O)O)C1	1885127547	PHHYPSLHRZWDJB-UHFFFAOYSA-N	205.189	-0.719	50	10	BBGE	
C[C@H](COC[C@H]1CCOC1)C(=O)NN	1888708947	YSQBXMGCOUUPFD-SFYZADRCSA-N	202.254	-0.335	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1Cl)[C@@H]1CNC[C@H]1O	1893453490	NIXVIXFFNKNEGN-WCTZXXKLSA-N	218.684	-0.595	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)[C@H]1C[C@H]1Cl	1893475682	WVZRNMBIJVYKIX-CRCLSJGQSA-N	215.644	-0.215	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C1CC1)C1COC1	1893859546	CCAIIDMZOQKONK-ZETCQYMHSA-N	213.281	-0.382	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(C[C@H](O)CCl)C[C@@H]21	1894033140	LWJUGJKEWTVMQW-ZYUZMQFOSA-N	235.711	-0.475	50	10	BBGE	
CC[C@@H](O[C@H]1CCN(C)C1)C(=O)NN	1894991849	MFUPNWHQQQRSCO-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H]1CC21CC1	1901230488	IBMOICYURMQSND-RNJXMRFFSA-N	223.276	-0.329	50	10	BBGE	
NNC(=O)N1CCC2(CCCNC2=O)CC1	1901344654	UGKSMLABEFRDTB-UHFFFAOYSA-N	226.280	-0.438	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CNC[C@@H]1C	1901344920	YEBOFMDYJRWCJE-JGVFFNPUSA-N	249.336	-0.845	50	10	BBGE	
CN(NC(=O)C(C)(C)CN)S(=O)(=O)C1CC1	1901348601	LSARFXBXRSFGSR-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1O	1902118579	WMMDRLROJLXCPD-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
OB(O)c1csc(CN2CC3(CCC3)C2)n1	1902638068	VDWQXUUWYQPTJL-UHFFFAOYSA-N	238.121	-0.191	50	10	BBGE	
CC(C)(C)OCCCn1cc(B(O)O)cn1	1903553230	DWFGPXZLDRZINR-UHFFFAOYSA-N	226.085	-0.232	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(CC(=O)NN)C1	1905550788	PRMWXYZWAYTBHY-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@]2(CO)C1)C(=O)NN	1905775213	REMGJVSTSAFECH-JFGNBEQYSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCC[C@H]2C1=O	1906993839	MURIAHGPAHUCEC-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](OC)C1(C)C	1914329662	BOLSQUZRVPXNDJ-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
COC1CC(N(C)[C@@H](C)C(=O)NN)C1	1914814746	QBIJAABOCJZYSK-KKMMWDRVSA-N	201.270	-0.526	50	10	BBGE	
N#Cc1ccc(C(=O)NNCCO)c(F)c1	1917168757	HQYIGIBCHMDLDI-UHFFFAOYSA-N	223.207	-0.076	50	10	BBGE	
NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1N	1923215650	FUXUSJKITAEYRP-MNOVXSKESA-N	234.303	-0.564	50	10	BBGE	
C[C@@H]1CCN(S(=O)(=O)CCl)[C@H]1C(N)=O	1928673043	XIDQGGGWALHOEQ-PHDIDXHHSA-N	240.712	-0.292	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COC[C@H]1Cl	1928687398	SHXFCYHCUHRLSB-RQJHMYQMSA-N	230.655	-0.600	50	10	BBGE	
O=C(NNCCO)c1ccnc(Cl)c1	1929831355	AOLLPVVSFSWWTF-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)N1CCC1	1929938636	HQWZINHJQXPENK-MRVPVSSYSA-N	231.277	-0.305	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@@]3(CCl)C2)n1	1937042770	QPSAPWKKYBRKPB-IMTBSYHQSA-N	241.682	-0.089	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cnsc1	1937712631	BBEBQZDKQJBLCB-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@H]3C2=O)CC1	1940087774	MJKXMBASFDSFLT-HTQZYQBOSA-N	223.276	-0.375	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1941094215	WHZDTAGNGWVFFG-LMLFDSFASA-N	241.335	-0.437	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(OC(=O)N(C)C)C1	1942658995	IDFMCRREDQZVTN-ZETCQYMHSA-N	244.295	-0.863	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1943070346	KCOJTJSAIVPEIP-JLIMGVALSA-N	241.335	-0.439	50	10	BBGE	
NNC(=O)c1cccc(CN2CC(CO)C2)c1	1944080100	LTQMEFWQPMWOLQ-UHFFFAOYSA-N	235.287	-0.286	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1951321885	LDEQCRSQDLRFKG-DJLDLDEBSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)O1	1951322225	YUGMVLJFROLMIJ-HLTSFMKQSA-N	227.069	-0.371	50	10	BBGE	
N#C[C@H](O)[C@H](N)[C@H](CO)c1ccccc1	1952821835	SRXMDXIFKIUGIH-OUAUKWLOSA-N	206.245	-0.026	50	10	BBGE	
CP1(=O)CCN(CC(=O)NN)CC1	1954056603	NLVIQEGSHBJHIO-UHFFFAOYSA-N	205.198	-0.715	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1958455706	YIGUMNAETGEDPE-CHHOWFRJSA-N	209.293	-0.047	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@H](C)C(=O)NN	1959510405	BCIGFBWMBPREST-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
OB(O)c1ccc(N2CC3(CC3)C2)nc1	1961681065	SCHVHZMQZISBQS-UHFFFAOYSA-N	204.038	-0.638	50	10	BBGE	
Cc1cnc(N2CC(F)C2)c(B(O)O)c1	1961718170	KYVRMGCSQVIURG-UHFFFAOYSA-N	210.017	-0.772	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2C[C@H]2CN)CC1	1962173447	SFPRWWBLIYVWHI-UWVGGRQHSA-N	209.293	-0.068	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]2C1	1967964106	QPSBRFYYDOYZID-HRDYMLBCSA-N	224.069	-0.393	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@]2(CNC(=O)N2)C1	1974906924	AGYOFBDPLGHKHU-RCOVLWMOSA-N	231.683	-0.102	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@H](O)C1	1975304964	XKTLQIDMMOXYBB-BGZDPUMWSA-N	213.281	-0.933	50	10	BBGE	
OCC(CO)(CO)Nc1ncccc1CCl	1975629063	NEMIYLXSMNJGOU-UHFFFAOYSA-N	246.694	-0.052	50	10	BBGE	
COC[C@@]1(C)COCCN1[C@H](C)C(=O)NN	1980189816	OLBVLQYPXZAGFZ-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@@H]1CCCOC1	1981471641	KBJKIOPUJGYJNH-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
C[C@@H](OCCCN1CCOCC1)C(=O)NN	1982841816	MEFSIOMNFAKGOR-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnn2)cn1	1983348152	WOSYQHCILBWYRI-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
CC(C)(CN1CCC=C[C@H]1CO)C(=O)NN	1985649673	ZWAANZJMQVQSKZ-VIFPVBQESA-N	227.308	-0.375	50	10	BBGE	
CCC[C@@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	1985956445	VUQXJWBJKJFKKM-JGVFFNPUSA-N	229.280	-0.560	50	10	BBGE	
Cc1ncnc(OCC2(C)CC2)c1B(O)O	1986113967	HUJQJLUDPNZXRS-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
CC(C)=C(F)Cn1cc(B(O)O)ccc1=O	1989651680	LLEBRUWZDQJLGK-UHFFFAOYSA-N	225.028	-0.209	50	10	BBGE	
CN(CCN1CCNCC1)C(=O)[C@@H]1C[C@H]1Cl	1991681330	ZOELPQZUZHAQMP-NXEZZACHSA-N	245.754	-0.023	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CCl)n1	1992548222	VUQAMOLYGVATCV-XVMARJQXSA-N	241.682	-0.091	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@@H]21	2000717085	OBPKAWUYTWRYAI-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@H]2C[C@@H]2C(=O)NN)C1	2001533687	BEZHTYXQRTUVEF-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccc(N2CC[C@]3(CCO3)C2)nc1	2004912306	RBBWYHMVYKINIX-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
Cc1ncnc(N2CC(C(F)F)C2)c1B(O)O	2004974889	QQBSTLJJDNNNQW-UHFFFAOYSA-N	243.022	-0.834	50	10	BBGE	
Cc1cc(C)n(-c2ncc(B(O)O)c(C)n2)n1	2005009106	IILVQBPZEAMGEL-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@]1(O)CCOC1	2013284919	STRJNWLKGKYQHU-IQJOONFLSA-N	245.323	-0.916	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC[C@H]2C[C@@H]2CC1	2021157859	SBUYYFOUZFRNCF-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccccc1B(O)O	2022196192	IQIQODICMLXGLJ-VROVMSAKSA-N	231.060	-0.495	50	10	BBGE	
C[C@H]1CCN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023853066	KGEKWAGRXYFFBQ-DLOVCJGASA-N	239.319	-0.133	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CC2(CC2)C1	2036189654	MEILXLKXWMXKHP-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
COc1cc(C=O)c(B(O)O)c([N+](=O)[O-])c1	2060264855	GJBXEBDLQGJJHN-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C[C@@H]2CC[C@@H]2C1	2070102373	QYHXEVZJZNRYIF-DOFRTFSJSA-N	247.107	-0.219	50	10	BBGE	
O=C(O)c1cc(F)cc(B(O)O)c1Cl	2080822166	IIRRCZIGBNPRLO-UHFFFAOYSA-N	218.376	-0.143	50	10	BBGE	
N[C@@H]1[C@H]2C[C@@H](CN(C(=O)F)C2)[C@H]1CO	2210031032	WJVAVYRZYNBLEO-RULNZFCNSA-N	202.229	-0.037	50	10	BBGE	
COc1c(C)ccnc1NC(=O)C(=O)NN	2212205418	VDQGNOYNTJEMOS-UHFFFAOYSA-N	224.220	-0.673	50	10	BBGE	
CCOC(=O)CSc1cc(B(O)O)ccn1	2212600533	WHYSZYGHHUNRTE-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1ncccc1B(O)O	2212601037	HRSWMDKXOHWTPO-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
C[C@H]1CC(=O)N(CC2(C(=O)NN)CCC2)C1=O	2216529151	BALYFQMOOKNPTL-ZETCQYMHSA-N	239.275	-0.458	50	10	BBGE	
Cc1nnc(CNc2ncccc2B(O)O)o1	2217171830	FPURMDLLPQCYMO-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
C[C@]1(CN)CCCN1c1ccc(B(O)O)cn1	2217179391	KAYUCYFLPQSVBD-LLVKDONJSA-N	235.096	-0.921	50	10	BBGE	
N[C@H](CCOc1ccc(B(O)O)cn1)C(F)F	2217185294	VBMKYGHUWOJXIV-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
OCC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220063674	MRCWZWRJWBPKFU-NSHDSACASA-N	249.119	-0.429	50	10	BBGE	
CNC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220064719	PDPXFERDRXWEKH-GFCCVEGCSA-N	248.135	-0.592	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC3(CCC3)[C@@H]2O)c1	2223627991	OPPRETULXDAZBQ-MWLCHTKSSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2NC3)nc1	2223635642	ZUUAJODWIAXICZ-IEBDPFPHSA-N	247.107	-0.686	50	10	BBGE	
CN(Cc1cncnc1)c1cc(B(O)O)ccn1	2223669308	IJFCZBDBSSIOOI-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)NNCCO	2241614176	FLSQSATYJJFTFZ-CBAPKCEASA-N	202.254	-0.728	50	10	BBGE	
C[C@H](O)CN(CCN)C(=O)[C@H]1C[C@H]1Cl	2241675814	JLQDNPPQAYPOTL-BIIVOSGPSA-N	220.700	-0.218	50	10	BBGE	
C[C@@H]1CCN1C(=O)N[C@@H]1CCC=C1B(O)O	2242824055	TVXHINYGZRNQSM-VXNVDRBHSA-N	224.069	-0.109	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCC1(F)F	2243349871	RRPJXFJRAXJVND-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ncsc1B(O)O	2243358865	LMYSPPHCIPLGRG-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1occc1B(O)O	2243363762	LRQMPAGRVOKVQT-ZETCQYMHSA-N	221.021	-0.592	50	10	BBGE	
CC[C@H](CCO)NC(=O)C1(B(O)O)CCC1	2243364467	XMDXEOVWEKUFGV-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CCNC1	2243365738	RHHHQJNMASFOLB-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)OC(F)F	2243366266	ZPJICTRUEWPVNT-YFKPBYRVSA-N	237.011	-0.263	50	10	BBGE	
C=CCNC(=O)c1ccc(C)cc1B(O)O	2243367469	UAWOOVQSHZBXBC-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2243382406	NYWIBGOLXAVRFR-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243391973	PZPAUZGZXZMAEF-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1C(F)(F)F	2243398849	HVTXEKIPIZHQEJ-LURJTMIESA-N	234.970	-0.445	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2243408856	WQTZBAIXRMBBDH-SSDOTTSWSA-N	224.069	-0.767	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCOC1	2243426806	MDNSYGKVWPTRMH-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](CN(C)[C@H](C)CCN(C)C)C(=O)NN	2245099006	YKDASQTYEHUIML-NXEZZACHSA-N	230.356	-0.116	50	10	BBGE	
CC1(C)CC[C@H]1COc1ncc(B(O)O)cn1	2247328893	TYYLGHBGSSPHCG-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1[C@@H]2[C@H]1CCCC2(F)F	2247744684	WQBDMGJURYELQC-BWVDBABLSA-N	243.018	-0.448	50	10	BBGE	
Cc1cc(C(=O)N(C)CCF)ccc1B(O)O	2247752525	QVWSWBAFFNTPSX-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
COCC(COC)N(C)C(=O)C1(B(O)O)CC1	2247758216	UGYCFDXENXSFKW-UHFFFAOYSA-N	245.084	-0.887	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2C[C@@H]2F)c1B(O)O	2247761369	UMNBMPWGTHLZPN-DTWKUNHWSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785178	GZPXQKPJGVHOAO-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785227	HUIQVKYAYKKCGB-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790059	FIORRPJHHAVOAA-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
O=C(NCC[C@H]1CCCO1)[C@H]1C[C@H](B(O)O)C1	2247796881	DPWSSHRPVCZNQJ-OPRDCNLKSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(F)c(F)c1	2247847683	AHBQNPGMTHNJOM-UHFFFAOYSA-N	238.986	-0.404	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@@H]1C	2247855642	VMDAVZNKMLGCQU-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NN1CCC1	2247858640	GQWFVCKZBKZWCP-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1occc1B(O)O	2247878379	NYKCWIYCCNKECH-RQJHMYQMSA-N	241.027	-0.468	50	10	BBGE	
CCNC(=O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247878624	OXUSQIIVKWVTPP-SSDOTTSWSA-N	242.084	-0.976	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@]2(CO)C1	2247896444	GXZACXOFGZDNPS-TURQNECASA-N	239.080	-0.920	50	10	BBGE	
O=C(NCCc1ccccn1)[C@H]1C[C@H]1B(O)O	2247896822	KUVAGYLQLLEMAN-VHSXEESVSA-N	234.064	-0.397	50	10	BBGE	
Cc1cnccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247897457	SNYHDDATWARGAO-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
CN(CC(C)(C)C(=O)O)C(=O)C1(B(O)O)CC1	2248578274	MGGAXYXXJAWGNU-UHFFFAOYSA-N	243.068	-0.437	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@H](C(=O)NN)C1	2249023514	PEQUBGNXHLZWKA-ONGXEEELSA-N	241.335	-0.029	50	10	BBGE	
N#CCCCCNC(=O)c1cc(B(O)O)co1	2249418421	TYMSQLBLEUYSKW-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ccoc1B(O)O	2250892922	WUSZVPREUQOBFW-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=CC12CCC2	2255443989	GNGZLIRBMPNRLH-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1ccc(B(O)O)o1	2255464527	XPLQLVGEWCJAEP-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1occc1B(O)O	2255484119	IHSTVBVCFVLINK-QPUJVOFHSA-N	249.075	-0.026	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1cc(B(O)O)cn1C	2255507612	BILMHUNZHLXMHZ-MRVPVSSYSA-N	249.079	-0.921	50	10	BBGE	
Cc1ccc(C(=O)N2CC=CCN2)c(B(O)O)c1	2255515058	RTIULVVSBAMYPT-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
Cc1ccc(NC(=O)c2n[nH]cc2B(O)O)cc1	2255548501	MHRACOHISOWKEK-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CCO)c1ccccc1	2255571270	NTKCKYICUJZLMS-MNOVXSKESA-N	249.075	-0.125	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255671588	UAEWDIGAOCZPLC-LLVKDONJSA-N	247.063	-0.930	50	10	BBGE	
Cc1ccncc1NC(=O)c1ccoc1B(O)O	2255678989	JWQZBDKILBXTQD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccc(B(O)O)cn1	2255714268	ODVWQXWLYQEAHH-UHFFFAOYSA-N	246.075	-0.849	50	10	BBGE	
C#CCC1(C(=O)Nc2ccnc(B(O)O)c2)CC1	2256597175	CZHBSDTXCHGKBS-UHFFFAOYSA-N	244.059	-0.497	50	10	BBGE	
C=C=CCC(=O)N1Cc2cccc(B(O)O)c2C1	2256639771	KPWMNWQNWSBTNJ-UHFFFAOYSA-N	243.071	-0.060	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)c(C(=O)O)c1	2256918814	PXYZVBJNJZPKKW-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
CCO[C@H]1C[C@@H]2CN(C[C@H](C)C(=O)NN)C[C@@H]21	2298029406	WEVVPUYOAQJXOY-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)NCCC#CB(O)O	2299632397	MIVHDEDBVXIBNF-SECBINFHSA-N	239.080	-0.819	50	10	BBGE	
C[C@@H](N)CCNc1ccc(B(O)O)cc1C#N	2301341285	NLURHMOZEZUGCV-MRVPVSSYSA-N	233.080	-0.613	50	10	BBGE	
C=C[C@H](N)COc1ccc(B(O)O)cc1C#N	2301370391	WWAFIQREKQHVTJ-JTQLQIEISA-N	232.048	-0.870	50	10	BBGE	
CN1C[C@H](CN2CC[C@@](C)(B(O)O)C2)CC1=O	2303160321	UUTHSWDMDICTAT-MWLCHTKSSA-N	240.112	-0.597	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1ccncc1B(O)O	2317064710	OYKIEPHLYMAMLK-VROVMSAKSA-N	248.091	-0.464	50	10	BBGE	
CC[C@H](CO)CNc1ccc(B(O)O)cc1C#N	2317162704	SWEOSVPSIPFVQH-VIFPVBQESA-N	248.091	-0.332	50	10	BBGE	
Cc1nn(C(=O)N[C@H](C)CCl)c(=O)n1N	82300021	NKGRXRPKYJROAD-SCSAIBSYSA-N	233.659	-0.748	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCS(=O)CC1	86313558	YGSKAJAEAGLQKS-YUMQZZPRSA-N	233.337	-0.935	50	10	BBGE	
CN(C)CCSCC(=O)NNC(=O)C1CC1	106454085	FUQSDONPGZCPNZ-UHFFFAOYSA-N	245.348	-0.161	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1cnc(C#N)c1C#N	156312529	FOCQDAVJYAFYEY-QMMMGPOBSA-N	232.247	-0.042	50	10	BBGE	
C[C@@H](NC(=S)[C@H]1CCCN1)B(O)O	210103426	PADUPDZPAMBNNR-PHDIDXHHSA-N	202.088	-0.944	50	10	BBGE	
CNC[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	216484325	WBLZRXQAOCYZOQ-IUCAKERBSA-N	214.313	-0.704	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CCC[C@@H]2C1=O	229922641	WCMLFUJIWOYFHM-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CCCCN1	238277456	HHKQNXOXPRGIQY-ZETCQYMHSA-N	215.253	-0.094	50	10	BBGE	
Cc1ccn(-c2cc(B(O)O)ccn2)n1	238537666	WHMDJYUPMFTWQC-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
NC(=O)NN[C@H]1c2ccccc2C[C@@H]1O	238590719	UKDAZKJHJLBDJN-IUCAKERBSA-N	207.233	-0.182	50	10	BBGE	
CN(CCc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NN	258718600	IQAQTPAQSWMVIL-UHFFFAOYSA-N	249.274	-0.086	50	10	BBGE	
Cn1cnc2cc([C@H](N)CC(=O)NN)ccc21	259037125	SIVGVRWXZLGEIK-MRVPVSSYSA-N	233.275	-0.047	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN([C@H](C)C(=O)NN)C1	306688217	MOBZTRJWBYSEIG-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
Nc1sc2c(B(O)O)cccc2c1O	307160279	DQTUQNGWYOGRER-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(=O)NCCSSC[C@@H](N)C(=O)O	308542411	UMXDOOWQJQCXPN-ZCFIWIBFSA-N	238.334	-0.084	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccoc1C	309091013	CDGQTSXYFCQKRC-UHFFFAOYSA-N	211.221	-0.432	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](CO)CC1	382168730	VTZRQRDAHAHHPQ-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(O)c1ccc(B(O)O)cc1OCC1CC1	382641108	WVAOMALJWPGCOQ-UHFFFAOYSA-N	236.032	-0.147	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@@H](C)C(=O)NN	385966120	ZNJHGOPMFYKDAG-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1O	399953577	YSIVERVKSYCRDN-SGIHWFKDSA-N	229.324	-0.296	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(C)c(B(O)O)c1	405011274	XAZRSMYYDMYIJU-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)C1=O	689019187	PFUZLOACZBEHSJ-UHFFFAOYSA-N	214.269	-0.486	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CN(C)C)C1	689161067	WISJCDIDWDNWJQ-AXFHLTTASA-N	242.367	-0.116	50	10	BBGE	
COc1cccc(Cn2ccc(B(O)O)n2)c1	694307278	GDRDQASRHBZRAN-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CCn1cc(CN(C)[C@H](C)C(=O)NN)cn1	703384407	ZXXCGWPYLFCRMT-MRVPVSSYSA-N	225.296	-0.287	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1ccncn1	703477180	SLRRYXFBKNHFSE-RKDXNWHRSA-N	233.227	-0.107	50	10	BBGE	
CCn1nnnc1SC[C@@H](C)C(=O)NN	706553736	QYKNJVKZDBIQNV-RXMQYKEDSA-N	230.297	-0.589	50	10	BBGE	
C[C@H]1CN(C[C@H](O)CCl)CCS1(=O)=O	707159315	FECWKOMJOYISDT-JGVFFNPUSA-N	241.740	-0.295	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1CO	708079191	DBKJGBKROPVMER-RGOKHQFPSA-N	229.324	-0.439	50	10	BBGE	
COC[C@H](CO[C@@H](C(=O)NN)C(C)C)OC	709959571	KJCCOCPOECCUEF-RKDXNWHRSA-N	234.296	-0.321	50	10	BBGE	
CC[N+]1=CC([S@@+]([O])(=O)N=C=O)=N[C@H]1C	725588386	AUVUBNIJTTXHLJ-ZCFIWIBFSA-N	216.242	-0.057	50	10	BBGE	
CCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O	728435612	FTEMGMLGFXBWOH-ZETCQYMHSA-N	235.309	-0.174	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(O)C1=O	820175101	SIVHRCLTKSXWBE-NFXKFNAJSA-N	239.231	-0.463	50	10	BBGE	
O=C(NNc1ccccn1)N[C@H]1CCNC1=O	852409007	FEQURXVSGGJHAT-ZETCQYMHSA-N	235.247	-0.404	50	10	BBGE	
CC(=O)NNC(=O)C1=C[S@](=O)CCC1	1540496118	GLJXWXMEQXQYOV-CQSZACIVSA-N	216.262	-0.420	50	10	BBGE	
O=C(NOCC(F)F)c1ccc(B(O)O)cc1	1632701500	OBOXEVUGLLQTBX-UHFFFAOYSA-N	244.990	-0.707	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@]1(CO)C[C@H](O)C1	1877527813	XLYJYYIPDFFKAZ-VMHSAVOQSA-N	207.657	-0.384	50	10	BBGE	
NNC(=O)C(=O)NCC1(Cl)CCC1	1883625755	WGLSRLIVWIPIOX-UHFFFAOYSA-N	205.645	-0.746	50	10	BBGE	
NC[C@@H]1C[C@H]1NC(=O)C=CC(=O)Cl	1883626822	LQBKKDLSDVHMGF-NTSWFWBYSA-N	202.641	-0.229	50	10	BBGE	
Cc1cc(C(F)(F)F)nc(B(O)O)n1	1886662531	GKZAVYZMLYTKJD-UHFFFAOYSA-N	205.932	-0.516	50	10	BBGE	
O=C(NCC[C@H](O)CCO)[C@H]1C[C@H]1Cl	1893419028	IEDPGGGCMXHIOE-BIIVOSGPSA-N	221.684	-0.137	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1895059456	VUTAOHVZUGXYND-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)c1cnn[nH]1	1901356810	GCEICQMMQJFUOV-UHFFFAOYSA-N	247.280	-0.881	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1CC[C@H]1N	1901377760	SHXNJXYFMMODKC-JGVFFNPUSA-N	249.336	-0.575	50	10	BBGE	
CCON(Cc1nc(B(O)O)cs1)C(C)C	1902637535	MVQAXTNDYOWQKN-UHFFFAOYSA-N	244.125	-0.015	50	10	BBGE	
CCN(c1cc(B(O)O)c(F)cn1)C1CC1	1903006525	UXGZPKZVGWFLKL-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@@H](F)C1	1904945262	XXPMRBVVWWFIOZ-OCAPTIKFSA-N	225.028	-0.112	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)C[C@@H](OC)C1	1906325891	BROMEHFITUZBGC-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1	1912181593	PSEDUZIIUHVBFL-QMMMGPOBSA-N	240.267	-0.214	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2CCC[C@H]2C1=O)C(=O)NN	1912216643	RFNBDPOMDLXHOF-BWZBUEFSSA-N	239.275	-0.603	50	10	BBGE	
Cc1cc(C(=O)Nc2ncccc2B(O)O)n[nH]1	1913621992	VUIBFYRBRNSPEM-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CCCOC(=O)Nc1ncccc1B(O)O	1913671194	WIMIEWSKLXQCBY-UHFFFAOYSA-N	224.025	-0.280	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C(C)(C)C(N)=O	1915525595	YQRCVAQZDZQCRE-BQBZGAKWSA-N	230.312	-0.803	50	10	BBGE	
O=C(NNCCO)[C@@H]1C(F)(F)C12CC2	1931741644	OSLSNOHQRPVFFA-YFKPBYRVSA-N	206.192	-0.355	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=S)CC1(F)F	1933068745	XRICICHEIFYEKY-RXMQYKEDSA-N	209.221	-0.104	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)C2(CC2)C1)C(=O)NN	1935770428	GKXMNDIHPOYJQA-IUCAKERBSA-N	227.308	-0.683	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	1936092897	YOHOSBVHADKHTK-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)Cn2cncn2)C1	1937194682	SSSKCZJVLIVLME-YUMQZZPRSA-N	243.698	-0.684	50	10	BBGE	
CC[C@@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1937984060	LSBXKITXOFRDNE-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083920	UYMVRWOJQWITEO-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCn1ccnc1	1944475933	RFEVJNKSSSHRSZ-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550110	VDVWPJXSMPLXIJ-QKAWAISNSA-N	221.684	-0.988	50	10	BBGE	
OCCN1CCN(C[C@H](O)CCl)CC1	1956260784	QUSBHFOFFMXVAA-SECBINFHSA-N	222.716	-0.804	50	10	BBGE	
OB(O)c1cnn([C@@H]2CC[C@H]3C[C@H]3C2)c1	1957525329	QKFLMNNZZVUYSN-OYNCUSHFSA-N	206.054	-0.076	50	10	BBGE	
CN(C[C@@H]1CO[C@H]2COC[C@H]12)C(=O)NN	1958050781	IYRFRRVMQTUJQF-PRJMDXOYSA-N	215.253	-0.837	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2C[C@H]2CN)CC1	1962168920	SFPRWWBLIYVWHI-UWVGGRQHSA-N	209.293	-0.068	50	10	BBGE	
CN1CC[C@H]2CCN(CCC(=O)NN)C[C@@H]21	1976006740	SPQDDQPBQIRFDO-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1976082309	SLCOFVXNINAQQI-MHTLYPKNSA-N	239.197	-0.319	50	10	BBGE	
CCC[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976978760	CUJSXTRWNFKZQB-RQJHMYQMSA-N	231.057	-0.535	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1979479692	JENCGBRARXGJTR-FVMDXXJSSA-N	247.364	-0.545	50	10	BBGE	
CCC1CN(c2nccc(C)c2B(O)O)C1	1981413065	AWQZYXSWBNSVON-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
Cc1nc(O[C@H](C)C2CC2)ncc1B(O)O	1981422995	XCSSEYOJMBHKII-SSDOTTSWSA-N	222.053	-0.358	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ccncc1B(O)O	1981425675	JBVUWTURXJVKEP-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cnccc1N1C2CCC1CC2	1981427087	SCGRHIMQUOZMJG-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
Cn1ncc2cc(C(=O)NCB(O)O)sc21	1982494733	SWDIBMCPVOXISJ-UHFFFAOYSA-N	239.065	-0.623	50	10	BBGE	
O=c1c(B(O)O)cccn1CCC(F)(F)F	1984100892	CYGNRJRTSYVQHG-UHFFFAOYSA-N	234.970	-0.520	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](Cn2ccnn2)O1	1990164204	JWUQKFSPSXZCKM-JGVFFNPUSA-N	225.252	-0.794	50	10	BBGE	
NN=c1cncc(C(=O)NC[C@@H]2C[C@@H]2Cl)[nH]1	1991432889	NJDYPOIJIKUZLY-WDSKDSINSA-N	241.682	-0.459	50	10	BBGE	
O=C(O)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2Cl)C1	1991692917	KISBHCNCDWSQML-FXQIFTODSA-N	246.694	-0.111	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(C2CC2)C1	1992153428	OZKKNMIVCPSDGC-UHFFFAOYSA-N	221.065	-0.446	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1[C@@H]2CO)C(=O)NN	1994018955	BLIUJHIPPZUURK-HLTSFMKQSA-N	227.308	-0.685	50	10	BBGE	
Cc1nc([C@H]2CCCN2[C@H](C)C(=O)NN)no1	1997769336	ZHPCAQWLUPUROP-HTRCEHHLSA-N	239.279	-0.107	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2COC[C@@]2(C(=O)O)C1	1998066442	RHWMMEBXZJQHBF-XCBNKYQSSA-N	243.263	-0.794	50	10	BBGE	
CCCN([C@H](C)CC(=O)NN)[C@@H]1CCNC1=O	2004312713	DFMNYGFBVFUIPY-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnccc1N1CC2CC1(CF)C2	2004912380	SDGFIRIRHQJPDW-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
OB(O)c1cncnc1N1CCC12CCCC2	2004917021	SUQXTHQWMOKCOF-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
Cc1ccnc(OC[C@@H]2CCCO2)c1B(O)O	2004935816	QKSWXILGEZKUTG-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@@H]2C)ncc1B(O)O	2004976035	HQGGFFARRAAWPO-OIBJUYFYSA-N	235.096	-0.300	50	10	BBGE	
C[C@H]1CCC[C@@H]1Cn1cc(B(O)O)ccc1=O	2008840256	JSJLYGDFYBKRHL-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C[C@@H](C)C(=O)NN)CCN2C1	2010601053	RODPXWJQOIMSQR-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN(CCO)C2CC2)C1	2010834495	DFCZQKXQLQPDJI-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
N#CCN(CC#N)C[C@H]1CC[C@H](C(=O)NN)C1	2010834593	FGODIFLBMSFUBQ-UWVGGRQHSA-N	235.291	-0.258	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@@H](C(=O)NN)C2)c(=O)o1	2010835076	KMSPPJVOBKKEAM-JGVFFNPUSA-N	240.263	-0.449	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022934	YYMWQFWGKHPBHH-SYWHDRQISA-N	239.319	-0.138	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CO)C12CCC2	2016078858	COGDOEOCLSBOAD-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC(C)n1ncnc1CN(C)CCC(=O)NN	2019560436	DKMSAJMCFGOOMV-UHFFFAOYSA-N	240.311	-0.329	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccnnc1	2020056253	JETSPQCZCJPGIX-VIFPVBQESA-N	233.036	-0.693	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1[C@@H]2CCO[C@H]21	2020069321	ZQDFXAUZMPUCAL-JZKKDOLYSA-N	237.064	-0.762	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@H]3C[C@@H]2C3)nc1	2021285641	VZAAQHIDVIPBHD-KHQFGBGNSA-N	234.064	-0.276	50	10	BBGE	
C#CCCC(=O)NCc1ccc(B(O)O)cc1	2025204605	PUHDBMYYBFYVJN-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
CCOC(=O)N1CCc2cc(B(O)O)ccc2C1	2032568264	JVHSGWUETIEQOR-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
CC(N)=C(C#N)C(=O)CSc1nnnn1C	2040421080	NOLDPRXTKOIEGI-UHFFFAOYSA-N	238.276	-0.372	50	10	BBGE	
CC1CC(CC(=O)Nc2ncc(B(O)O)cn2)C1	2040764731	HICAWUWHCUMNGL-UHFFFAOYSA-N	249.079	-0.469	50	10	BBGE	
C[C@@H](NC(=O)N1CCC1)c1cccc(B(O)O)c1	2043145676	JKYFJCGMFOSJRY-SECBINFHSA-N	248.091	-0.157	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	2052493610	DNIDLGFRGGIFAW-SKDRFNHKSA-N	248.091	-0.766	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COC[C@H]3C2)c(B(O)O)c1	2052628253	XRQUTMUJSYNOBB-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCc2ccc(B(O)O)cc2)C1	2063789259	LDGWABNYLMEXKE-JOCQHMNTSA-N	249.119	-0.024	50	10	BBGE	
CCn1nc(C)c(Cn2ccc(B(O)O)n2)c1C	2067582423	NYNBWBWXQGZELU-UHFFFAOYSA-N	248.095	-0.556	50	10	BBGE	
Cc1ccnnc1Cn1nc(C)c(B(O)O)c1C	2072596149	ZKORASDBOIMZMY-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3COC[C@@H]32)c1	2077840686	CSMQEORMKVVTIR-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@@H]3C[C@H]32)s1	2211072868	SJLOFSQLWBDHGO-RKDXNWHRSA-N	239.105	-0.599	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCS(=O)CC1	2211827678	LAOIGPGJXUPQBT-BDAKNGLRSA-N	245.348	-0.933	50	10	BBGE	
C#CC1CN(c2cc(B(O)O)c(C)cn2)C1	2212604299	NQAOTVXQXBJNAJ-UHFFFAOYSA-N	216.049	-0.861	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215773363	BADQWWKYYDDQOS-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
CC1(C)[C@@H](O)CN1CC1(C(=O)NN)CCCC1	2216883119	HCLYRTPBZKGBAC-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(OCC(F)(F)CN)cc1B(O)O	2217167244	MLIAAAZZVGJCAF-UHFFFAOYSA-N	246.022	-0.957	50	10	BBGE	
C[C@H]1CC[C@H](CNc2ncc(B(O)O)cn2)O1	2217178774	ZMRSWDCUGWNLRQ-IONNQARKSA-N	237.068	-0.864	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C1CCC1	2217184318	OKHOOCHXHPNUEQ-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
OCC[C@@H]1CCCN1c1ncccc1B(O)O	2217203923	BXMKCIYYUZDPGN-VIFPVBQESA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1CCC[C@@H]1Cn1cc(B(O)O)cnc1=O	2217409469	SJYHQGZNYXVAGT-DTWKUNHWSA-N	236.080	-0.641	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1nccn1C	2223643756	ZWWYSLZTNQHVES-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
CC1(C)C[C@H](CN)CN1c1ccc(B(O)O)cn1	2223645290	VDRUOEJIEVCULE-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@H]2CC[C@H]1N2	2223679592	RIXLFTPYWFXPNE-FXPVBKGRSA-N	247.107	-0.686	50	10	BBGE	
O=S(=O)(Nc1ncon1)N1CC(Cl)C1	2241347793	GAZBOKOAQKFWBK-UHFFFAOYSA-N	238.656	-0.351	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@@H]1F)N1CC(Cl)C1	2241353453	HJVQFYZPUIKPEE-NTSWFWBYSA-N	228.676	-0.146	50	10	BBGE	
CCOC(=O)CCSCC(=O)NN	2241471674	WERSUQADSHEMTQ-UHFFFAOYSA-N	206.267	-0.337	50	10	BBGE	
NNC(=O)CCCO[C@@H]1C=CCOC1	2241722040	GKPSCEFYQLGAIK-MRVPVSSYSA-N	200.238	-0.272	50	10	BBGE	
COc1nc2ccc(B(O)O)cc2s1	2242600317	LABYXCASEGJSNI-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H](F)C1	2243361993	KIPZXUULGNPKMD-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)C1CC(B(O)O)C1	2243391603	MLXGQVUHXJTMBG-SRKTWWLUSA-N	227.069	-0.610	50	10	BBGE	
CC1(C)[C@H](CNC(=O)C#CB(O)O)C1(F)F	2243398010	AMVRRWTXAGXRLU-LURJTMIESA-N	231.007	-0.591	50	10	BBGE	
CCC[C@H](C)NC(=O)c1csnc1B(O)O	2243398937	VPAODLFRGDCGAY-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
C[C@H](CN(C)C(=O)C#CB(O)O)C(C)(F)F	2243405085	ZHTKDCZJEVKTAO-SSDOTTSWSA-N	233.023	-0.249	50	10	BBGE	
CC(C)[C@@H](CN)NC(=O)C1(B(O)O)CCC1	2243410072	UZEXYLHZUQLONR-MRVPVSSYSA-N	228.101	-0.517	50	10	BBGE	
CC(C)(C)OC(=O)c1nccnc1B(O)O	2243494421	ZZKGGBCPQZZKQY-UHFFFAOYSA-N	224.025	-0.888	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243759309	VBBQXABQFFWRNY-DSYKOEDSSA-N	229.041	-0.781	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)cs1	2244145700	RTQIVHLHMSHIEW-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
O=C(Cc1cnsc1)NCCC#CB(O)O	2244550047	MIBFPASVVUNILK-UHFFFAOYSA-N	238.077	-0.793	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247733772	QDFVKJFXWYPQSV-VIFPVBQESA-N	233.032	-0.803	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1ccoc1B(O)O	2247743634	GXTSQJWCLFXGOW-RXMQYKEDSA-N	244.990	-0.656	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2247754341	FTLCJHUPMPZYSZ-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)C1(B(O)O)CC1	2247754702	HIOPQJSVODMBDY-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
C=CC[C@@](C)(CO)CNC(=O)C1(B(O)O)CC1	2247756885	OTHQELMRXIPXDZ-SNVBAGLBSA-N	241.096	-0.316	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CC2)CCN1	2247758022	UBGQEBOWKOWQKP-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@H]2C)c1B(O)O	2247760733	MQYOVBRWYZNYIF-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
CC1CC(NC(=O)c2ccc(B(O)O)cn2)C1	2247769927	MFVHELAZRQEDSP-UHFFFAOYSA-N	234.064	-0.710	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790653	IMYGUGWHBOXQME-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247791625	NWSALMZFNYQOAX-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(CCO)C1CCC1	2247797513	KIKBZEJBPCYXQR-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
Cc1cn(C)nc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247803308	ALUUEYAYHJTBTB-SFYZADRCSA-N	237.068	-0.792	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCN[C@H]2CC[C@@H]21	2247804072	FAZIIRFDOHUQGZ-XKNYDFJKSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@H]1CCNC12CC2)[C@H]1C[C@H](B(O)O)C1	2247806239	DSQSYINFNCLNAB-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
C[C@H]1CO[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247808744	MJKDLIUBKIYOKU-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CN1	2247860686	ZWCUXUWQWHWPQU-KATARQTJSA-N	240.112	-0.504	50	10	BBGE	
CN1C[C@@H]2CN(C(=O)C3(B(O)O)CC3)C[C@H]2C1	2247878974	OQRZSYYILQQSQQ-RKDXNWHRSA-N	238.096	-0.987	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247892973	KKIZUBNACROJSD-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
CN1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	2247899038	JSSULXRPFFIAJU-VGMNWLOBSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)C1CC(B(O)O)C1	2247909768	LMLMYNIBAKVTSX-ANQZYXBKSA-N	239.080	-0.610	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)[C@H]1C[C@H]1F	2248252328	JBSMWAZQAATUBQ-NTSWFWBYSA-N	241.990	-0.803	50	10	BBGE	
CCCNC(=O)[C@@H](C)N1CCC(B(O)O)CC1	2249358550	RYNJBQRHBHLFOK-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)c1ncc[nH]1	2255469306	NJLJGBSVSCGWCH-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CC[C@@H]2C1	2255472515	GCNZNYJWGOINMY-RKDXNWHRSA-N	248.091	-0.433	50	10	BBGE	
C#CCCNC(=O)c1cc(OC)ccc1B(O)O	2255502685	IEYBFLAWSRPVEA-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2CC2(C)C)c(B(O)O)c1	2255556778	VGMMUBIHOGKQGN-SECBINFHSA-N	248.091	-0.402	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1ccoc1B(O)O	2255717103	WKYITXGOMQGBKC-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1ccc(C(=O)N2C(=O)C[C@H]2C)c(B(O)O)c1	2255736022	FSUGGAUOUYBFEA-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
CC1=CC[C@H](NC(=O)c2cc(B(O)O)n[nH]2)CC1	2255762153	QYIZZHZYQAFMJL-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
CC1(C)CC=CCN1C(=O)c1c[nH]nc1B(O)O	2255792817	NTHYAPWNPMKLDH-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)ccc1O	2256017864	UVMWDGUUMIQTSB-SECBINFHSA-N	249.075	-0.304	50	10	BBGE	
N#CC1CCN(C(=O)c2cocc2B(O)O)CC1	2258124345	BMIUAARCZSYYQL-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
O=C(N1CCn2cncc2C1)C1(B(O)O)CCC1	2258568984	UOIDSFFIUJJGNZ-UHFFFAOYSA-N	249.079	-0.378	50	10	BBGE	
C=C1CON(c2ccc(C=O)c(B(O)O)c2)C1	2301451890	ZOMBNYNSPDIJKT-UHFFFAOYSA-N	233.032	-0.513	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2302496412	KUYPOEFABJCCOS-AXFHLTTASA-N	243.351	-0.049	50	10	BBGE	
OB(O)c1cc(N2CCC[C@@H]3C[C@@H]32)ncc1F	2303834754	LIHGTSYXBHUFFD-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
CC=C=CCCN=c1cc(B(O)O)c(F)c[nH]1	2303836605	OPVIVZZMWPLIMO-UHFFFAOYSA-N	236.055	-0.144	50	10	BBGE	
Cc1cccc(NC(=O)NCCF)c1B(O)O	2307515185	RWFCHCZQGXURJT-UHFFFAOYSA-N	240.043	-0.234	50	10	BBGE	
NNC(=O)CN1CC[C@@H](C2CCC(O)CC2)C1	2307607621	IEUAJHDOHBGUPS-HSOILSAZSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](O)[C@H]2C3)c1	2312408841	DXQKOJJXCSBHCQ-UHTWSYAYSA-N	247.103	-0.679	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2C[C@@H]3CC[C@H]2N3)nc1	2312614233	BVPQAMSSTSUWSH-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
Cc1ccc(COC[C@@H]2CCN2C)cc1B(O)O	2313836863	BJMSRMWNTNIJSL-LBPRGKRZSA-N	249.119	-0.104	50	10	BBGE	
C#CC1(F)CN(c2ccc(C=O)c(B(O)O)c2)C1	2317308127	GYQAEKLGBKRCSG-UHFFFAOYSA-N	247.034	-0.660	50	10	BBGE	
N#CC(=CNc1nc[nH]n1)C(=O)NCCCl	2325272221	XWEYWIMNDAMYTB-UHFFFAOYSA-N	240.654	-0.021	50	10	BBGE	
CCOC(=O)c1cc[nH]c1CC(=O)NN	1566199	WTFJYYUUPZLGLJ-UHFFFAOYSA-N	211.221	-0.276	50	10	BBGE	
C[C@@H](C(=O)NN)n1cnc2ccccc2c1=O	5662365	GVFCNDYAOUTUQO-ZETCQYMHSA-N	232.243	-0.053	50	10	BBGE	
Nc1nc(CC(=O)OCCCl)cc(=O)[nH]1	25500908	DYWMVMPEDQWMGM-UHFFFAOYSA-N	231.639	-0.323	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@H](C)Cl	58846404	OUIKKWGMZPQIRL-LURJTMIESA-N	209.673	-0.137	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CCO1	82466165	SBGVGUIZNQJKQC-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](CN(C)CCCN(C)C)C(=O)NN	82544108	KRUKRANGERLLJA-VIFPVBQESA-N	216.329	-0.504	50	10	BBGE	
OB(O)c1ccc(C2OCCCO2)cc1	196049325	IEDDNAYSUZSUNT-UHFFFAOYSA-N	208.022	-0.198	50	10	BBGE	
COCOc1ccc(C(=O)NN)c(O)c1	200579487	YUCGIWBFYJYEOC-UHFFFAOYSA-N	212.205	-0.022	50	10	BBGE	
CC(=O)n1cc(Br)c(B(O)O)c1	206163100	PZJMBKVBUMBPFZ-UHFFFAOYSA-N	231.842	-0.410	50	10	BBGE	
CCc1nnc2ccc(C(=O)NN)cn12	212644674	QOVOOVWXHAVJJS-UHFFFAOYSA-N	205.221	-0.105	50	10	BBGE	
C[C@H]1Cc2cc(B(O)O)ccc2S1(=O)=O	238481146	PVMQAEKPNKBWNW-LURJTMIESA-N	226.062	-0.915	50	10	BBGE	
O=C(CO)NNc1nccnc1Cl	306484217	NDQMEGATHLVEJQ-UHFFFAOYSA-N	202.601	-0.435	50	10	BBGE	
O=[N+]([O-])c1ccc(Br)c(B(O)O)n1	307171267	BRKNWAWOEPTTRB-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccn(C)c1=O	314127114	HHJCCQWFARBNOO-UHFFFAOYSA-N	246.075	-0.777	50	10	BBGE	
Nc1cc(B(O)O)cc(F)c1OC(F)(F)F	321689131	OBZJFTDUPIONRG-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[S@](=O)CC1	321851303	HEBXQDXOUXYVAQ-AYVTZFPOSA-N	233.337	-0.791	50	10	BBGE	
CC(C)N1CC(N2CC(=O)OC(=O)C2)C1	382280463	ONSPAJRCGPWRKQ-UHFFFAOYSA-N	212.249	-0.536	50	10	BBGE	
C[C@H](N(C)[C@H](C)CC(=O)NN)C(C)(C)O	382990758	WXSNATJZTAEFGE-SFYZADRCSA-N	217.313	-0.154	50	10	BBGE	
CC1(C)CN(CC(=O)NN)[C@H]2COC[C@H]21	384781901	LTCLKDDBELLCQK-SFYZADRCSA-N	213.281	-0.667	50	10	BBGE	
NC[C@@H]1CCN(Cc2nc(C(=O)NN)co2)C1	387010651	QVGLGAHLCZCKCY-ZETCQYMHSA-N	239.279	-0.941	50	10	BBGE	
Nc1c(B(O)O)sc2ccc(CO)cc12	396242116	JBHKZHGZZRMHTO-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1cc2sccc2c(O)c1B(O)O	396338121	IIYDAYVHMHLPDI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CC(C)(C)C(=O)NN)C1	401687435	CTGNPDMLDVFJCN-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CC(C)(C)C(=O)NN)C1	401687441	CTGNPDMLDVFJCN-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCN(C)C(=O)NCc1ccccc1B(O)O	405048404	BMOZBIVUFBEOHE-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)s1	405053963	KDXFUTJESMRJDI-NTSWFWBYSA-N	240.093	-0.193	50	10	BBGE	
OB(O)c1cccc(CNCC[C@@H]2CCOC2)c1	585034614	KNIUXMDRQHCMTE-LLVKDONJSA-N	249.119	-0.117	50	10	BBGE	
OB(O)c1cccc(O[C@@H]2CCCO2)c1	686728893	IWPAFRYQVMHJHD-SNVBAGLBSA-N	208.022	-0.118	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)NN	687454445	QMTHLIZJFHBTNS-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](CO)C(C)(C)C	689786849	MRSWRCGSLUFLFS-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
CCC[S@](=O)Nc1cccc(B(O)O)c1F	690076663	YNECLGKVFXDLAK-INIZCTEOSA-N	245.084	-0.009	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)CC1CC1	690925739	FOSPQPHDLBARLT-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
COC(OC)C(=O)N1CCC(O)(C#N)CC1	692529804	ZCIQAZGQGLGBQH-UHFFFAOYSA-N	228.248	-0.518	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1N(C)C	693632554	YEQFYXBGJMJVPO-HBNTYKKESA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cnn(C[C@H]2COc3ccccc32)c1	694530108	CZTGWOFQQZJMDM-VIFPVBQESA-N	244.059	-0.261	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@](C)(C2CC2)C1	694832204	CQCLOXKQYZNARU-KCJUWKMLSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](CO[C@H](C)C(=O)NN)OC	695711433	UJYAVOGRUKATFD-RQJHMYQMSA-N	206.242	-0.957	50	10	BBGE	
CN1CCC(Oc2cccc(B(O)O)c2)CC1	697643741	MALHMGUESRLAAB-UHFFFAOYSA-N	235.092	-0.161	50	10	BBGE	
CN(N)C(=O)[C@H]1CC(=O)N(CC2CC2)C1	704707608	UYTXSVHQWNGKCN-QMMMGPOBSA-N	211.265	-0.423	50	10	BBGE	
CN1CCC[C@H](CN(C)CCC(=O)NN)C1	705216608	NTEGSZHHGAHHMY-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CC(=O)N[C@H](C(=O)NNC(N)=S)C(C)C	705980564	PEBMMWNAVCAVAK-LURJTMIESA-N	232.309	-0.989	50	10	BBGE	
CN(CCOCCCl)[C@H]1COC[C@H]1O	709228303	ZBYXMHIIWIIAKN-DTWKUNHWSA-N	223.700	-0.067	50	10	BBGE	
CN1CC[C@@H]1CNC(=O)NC(=O)CCl	710287394	JBVFHRXSEFZLMW-ZCFIWIBFSA-N	219.672	-0.245	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3COC[C@H]3C2)c1	718182216	HJZBERPEYCWOEO-VXGBXAGGSA-N	247.103	-0.555	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CCC(=O)NN)C2	723700245	SOCPQJLILCCCCN-DTORHVGOSA-N	212.297	-0.855	50	10	BBGE	
C#CC(=O)NNC(=O)c1cccc(C#N)c1	754005891	GZCRQBXBKJMDQJ-UHFFFAOYSA-N	213.196	-0.048	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cn(C)nn1	809670455	MSMLIOXBZGSOMY-WDSKDSINSA-N	223.236	-0.768	50	10	BBGE	
CC(C)[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCCO1	817215209	KRHCBDAJJFLJFE-LDYMZIIASA-N	244.291	-0.280	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]12C[C@H]1COC2(C)C	823424542	DJJGMHURALBIAH-QUBYGPBYSA-N	227.264	-0.238	50	10	BBGE	
COCCCNC(=O)NNC(=O)[C@@H](C)CC#N	823810708	RPNDQHCDSXVVJN-QMMMGPOBSA-N	242.279	-0.097	50	10	BBGE	
NC(=O)CCCCC(=O)NNC(=O)NC1CC1	1324262606	RLXKHNGLOOVRJD-UHFFFAOYSA-N	242.279	-0.475	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@H](O)C1CC1	1328762771	PHHGRKPNDSSHRU-LLVKDONJSA-N	249.270	-0.458	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)Oc1ccccn1	1464436548	YMAHXSSTZOWRHE-SSDOTTSWSA-N	238.247	-0.191	50	10	BBGE	
Cn1c(C(=O)NNc2ccncn2)cnc1O	1569313912	QTICETSQYJUXGX-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
C#CCOCCC(=O)NNc1ccncn1	1627971875	VTEUJXMPKOSYNV-UHFFFAOYSA-N	220.232	-0.040	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1ncccn1	1630233946	CIUXHFMWIPWXSS-MRVPVSSYSA-N	249.274	-0.668	50	10	BBGE	
CCN(CCO)NC(=O)C[C@H]1CCC(=O)NC1	1631048094	YDIYWPUCWHCHHP-SECBINFHSA-N	243.307	-0.752	50	10	BBGE	
O=S(=O)(CCO)NC[C@H]1C[C@H]1Cl	1881374688	VQFOLDOAUBDZHD-PHDIDXHHSA-N	213.686	-0.475	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)NC(=O)CCl	1882821848	CGKXNPMVNUYEOK-WHFBIAKZSA-N	206.629	-0.162	50	10	BBGE	
NCCOCCNC(=O)[C@@H]1C[C@@H]1Cl	1883638338	FARMGQSITPBZES-RQJHMYQMSA-N	206.673	-0.295	50	10	BBGE	
NCCN(CCO)C(=O)[C@@H]1C[C@H]1Cl	1883644922	KJPKRORAACOXSC-RNFRBKRXSA-N	206.673	-0.607	50	10	BBGE	
NOCCCNC(=O)/C=C/C(=O)Cl	1883647219	JXZVZGLPFHHOBQ-NSCUHMNNSA-N	206.629	-0.295	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1[C@@H](C)C(=O)NN	1890503075	HGNQWGIQYJOXDG-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](NC[C@@H]1C[C@@H]1Cl)C(=O)NC(N)=O	1893109013	WGRLZISZOUNQFM-ZLUOBGJFSA-N	219.672	-0.213	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@H](C)CC(=O)NN	1895543265	OBFNBEKVBUSLKG-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@H](F)C1	1900260400	QICFRTFSKRLUJI-BDAKNGLRSA-N	233.287	-0.329	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@@H]2CC[C@@H]2N)CC1	1900758057	RMMKKZNDFKSDTN-VHSXEESVSA-N	241.316	-0.038	50	10	BBGE	
C=CCNC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	1902504911	BEFFRBDSLDJFGI-IUCAKERBSA-N	226.085	-0.774	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1Cc1nc(B(O)O)cs1	1902637590	NOZYWZNLVCZWTL-RQJHMYQMSA-N	244.100	-0.245	50	10	BBGE	
CCc1nc(=NS(=O)(=O)CCl)n(C)[nH]1	1905141264	BUHWJBOIDFBVAF-UHFFFAOYSA-N	238.700	-0.263	50	10	BBGE	
CCn1c(C)nn(CCCCC(=O)NN)c1=O	1923070889	DHSLHDPBRZCGQR-UHFFFAOYSA-N	241.295	-0.467	50	10	BBGE	
CC[C@@H](NS(=O)(=O)CCl)C(=O)O	1923949011	JKGGZMKLPLTNNI-SCSAIBSYSA-N	215.658	-0.035	50	10	BBGE	
CC[C@@H](CO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927917892	YQJXLRVQSADORS-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)CC(CO)CO	1930665752	SIZOLHGSAQGYFK-ZCFIWIBFSA-N	209.673	-0.327	50	10	BBGE	
O=S(=O)(CCCl)N1CC(N2CCC2)C1	1932058141	VEPZMUODWBHRGD-UHFFFAOYSA-N	238.740	-0.055	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NNCCO)C[C@@H]12	1935449995	NNSIMNUGUKAZEL-LKEWCRSYSA-N	200.238	-0.976	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1C[C@@H]1C[C@H]1C(=O)NN	1936089813	FENZACMUDNHEHR-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
CCC[C@@H]1CN(CCOCC(=O)NN)CCO1	1941772151	FFGPTZACHZDLGX-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
Cc1ncc(O[C@H](C)CN(C)C)cc1B(O)O	1944011629	SEHHMCGCFHVFCF-MRVPVSSYSA-N	238.096	-0.601	50	10	BBGE	
N#CC1=CCN(C[C@]2(O)CNCCOC2)CC1	1950645455	MASIFTALFFUGFI-GFCCVEGCSA-N	237.303	-0.507	50	10	BBGE	
C[C@]1(CO)CC(F)(F)CN1C(=O)NN	1955335477	UJFWVUVZMMICHO-ZCFIWIBFSA-N	209.196	-0.338	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1957069611	KVEBFNQWUAURIZ-YYWONIAYSA-N	219.668	-0.432	50	10	BBGE	
O=C1C[C@@H]2CCN(C[C@@H](O)CCl)C[C@@H]2N1	1960156430	SIUDEQWMIBIFDY-CIUDSAMLSA-N	232.711	-0.204	50	10	BBGE	
CC(C)NC(=O)[C@H]1CCCN1C(=O)NN	1961188083	DMXWFEGBOWWOML-SSDOTTSWSA-N	214.269	-0.441	50	10	BBGE	
CCN(CCc1nccs1)CC(=O)NN	1961285801	XAVUNFOMWNHCTF-UHFFFAOYSA-N	228.321	-0.003	50	10	BBGE	
COCC(O)(CNC(=O)CCCl)COC	1974683002	CINULQHCVGWUJL-UHFFFAOYSA-N	239.699	-0.245	50	10	BBGE	
NNC(=O)CCCN1CC2(CC[C@H]2O)C1	1975356521	XSPOFQVRLQAVIV-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
O=C(NCB(O)O)c1ncoc1C(F)(F)F	1976739936	VRCJMVCMOJKCMG-UHFFFAOYSA-N	237.930	-0.565	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COCCC1(F)F	1979482708	PRYSDAVGVJWISJ-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H]2C[C@H]21	1980229962	XNPVAFRWSVJQFS-AXTSPUMRSA-N	226.324	-0.611	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)CC12CC2	1980719456	WVHDMNIDXPGWMZ-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CCC[C@H]32)nc1	1981408879	GMCZFXJQJZVQTA-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2C[C@H]21	1981413506	HQQHYSYGVAGWFN-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
COC[C@]1(NC(=O)/C=C/C(=O)Cl)CCNC1	1991703517	IDEDSHZZJOCPSO-PBKGFPTLSA-N	246.694	-0.197	50	10	BBGE	
CN(C)C(=O)C1CN(C(=O)/C=C/C(=O)Cl)C1	1991706167	MSWISYFNJGKKOC-ONEGZZNKSA-N	244.678	-0.145	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(CCO)CNC1	1991716952	QLPGKVNVPUHTAZ-OWOJBTEDSA-N	246.694	-0.604	50	10	BBGE	
C=C(CN1CC[C@H](OC)[C@H](OC)C1)B(O)O	1992787339	OQLJSQATNSGQMX-VHSXEESVSA-N	229.085	-0.710	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	1997188300	FIUKDXZEWFASKW-RERUZZKTSA-N	235.287	-0.521	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	2002913376	BMCZEDOUGUUNIO-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
COC1CN(Cc2ccc(C(=O)NN)nc2)C1	2007740645	KAHYUCWMKJIZDA-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
COC[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	2010896756	AXLULLBBUWSXQJ-RKDXNWHRSA-N	243.307	-0.503	50	10	BBGE	
C[C@@H](CN1CCCC[C@H]1CC(N)=O)C(=O)NN	2011912927	PDNORUJBGMKQBS-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
NNC(=O)C(F)(F)CCOCCn1cncn1	2012465458	MLSHBFYJEKRJQP-UHFFFAOYSA-N	249.221	-0.690	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCC(=O)N(C)C1	2014820762	KJUCYXFPZVBZRT-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC(C)(C)[C@@H]1C	2019215111	SUZJDYPRTRSGBZ-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
Cc1ccnc(N2[C@@H]3COC[C@H]2C3)c1B(O)O	2021409792	UKDBTTSIKBYZJA-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@@H]3CC[C@H]32)CC1	2039395883	JGBISDKWMHGSLP-HBNTYKKESA-N	249.314	-0.139	50	10	BBGE	
Cc1occc1CN(C)c1ncc(B(O)O)cn1	2052469657	TWTZDZANQBZPPT-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN1CCC[C@@H](N(C)c2ccncc2B(O)O)C1	2052498768	JPXUAKFPDDKCNB-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@@H]3C[C@H]32)n1	2052620558	VLECRICEWMCDQF-FXPVBKGRSA-N	247.107	-0.300	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	2079520042	SGKUYRIKZMTIEO-UWVGGRQHSA-N	248.091	-0.008	50	10	BBGE	
CCON(C)C[C@H]1CC[C@@H]1C(=O)NN	2209907513	WGANMKOYFPSSEG-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
CC(C)[C@H]1COCCN1CC(=O)NN	2210060985	OZBZSTCHHBMCHL-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
Cn1nccc([C@@H]2C(=O)NC(=O)[C@H]2Cl)c1=O	2211120074	ZBKSKCDMSZYLME-WDSKDSINSA-N	241.634	-0.872	50	10	BBGE	
OB(O)c1csnc1CN1CCCCCO1	2211135982	NGZTXMAGJOUVMV-UHFFFAOYSA-N	242.109	-0.260	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)COC[C@@H]2C1	2211712337	FWXYUKXIXNUUCX-IUCAKERBSA-N	243.694	-0.340	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@@]1(C)CO	2211780118	APPGXNRGACJPJV-NGZCFLSTSA-N	227.308	-0.376	50	10	BBGE	
CC(C)OCCNc1cc(B(O)O)ccn1	2212602366	CISGAAOOCHUYAY-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
C[C@H](F)CCN=c1[nH]ccc(B(O)O)c1F	2212604091	MDQNCCHCEOGXME-LURJTMIESA-N	230.023	-0.518	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2213022792	ADDGJNJHJHGSPS-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CC[C@]1(O)CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215773425	SNVDQDZNNLVOPD-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
Cc1ncnc(O[C@@H]2C[C@@H]3C[C@@H]3C2)c1B(O)O	2216557903	YQNVBRCRNANJIL-BRPSZJMVSA-N	234.064	-0.358	50	10	BBGE	
CO[C@@H](C)CCN=c1cc(B(O)O)c(C)c[nH]1	2217180549	UQKUPCNMOPYTPH-VIFPVBQESA-N	238.096	-0.671	50	10	BBGE	
C#C[C@@H](Nc1nccc(B(O)O)c1F)C1CC1	2217180742	VPJWZHMHRKYMNT-SECBINFHSA-N	234.039	-0.276	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@H]1C[C@@H]1N	2217192555	OMVDECFIEPRACR-BBVRLYRLSA-N	240.043	-0.985	50	10	BBGE	
CC[C@@](C)(N)COc1nccc(B(O)O)c1F	2217196401	RRMUGUFSCGDVGV-SNVBAGLBSA-N	242.059	-0.593	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1C[C@H]2C[C@@H]2C1	2217203954	CIHYKTKYTFWLHH-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)n1	2222656569	CVDSAGIYZMXOAZ-MYJAWHEDSA-N	248.091	-0.049	50	10	BBGE	
CC1(C#N)CCN(c2ncccc2B(O)O)CC1	2223674957	ODTHQJXJEZGUEK-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
Cc1nc(CNc2ncc(B(O)O)cn2)oc1C	2223680098	YQVAMQFVRRKUNG-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCCC[C@@H]1C2	2224029432	IOKWIHJZSOCXSD-SKDRFNHKSA-N	248.091	-0.497	50	10	BBGE	
O=C(NO)c1ccc(B(O)O)c(Cl)c1	2241584231	KZSLOLFIXHKRCQ-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@H]1[C@@H](O)CO	2241810520	FEDUBQIZJFJXQM-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1ccc(B(O)O)o1	2243356375	GWVPPBQIHSAEFB-RITPCOANSA-N	243.455	-0.684	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]2CC[C@@H]2C1	2243363011	ZUYQRTJFPBULDH-OWUUHHOZSA-N	221.065	-0.446	50	10	BBGE	
CN(CC1CC(C)(F)C1)C(=O)C#CB(O)O	2243399526	MZWFSBROKSSKMX-UHFFFAOYSA-N	227.044	-0.402	50	10	BBGE	
COC12CC(C1)N(C(=O)C1(B(O)O)CC1)C2	2243408085	GUBCJSSUXMDMDM-UHFFFAOYSA-N	225.053	-0.617	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)C2(B(O)O)CC2)[C@H]1C	2243410561	DHYPAJHXJCDANV-BQBZGAKWSA-N	225.053	-0.223	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243411065	NFKYPZOIQRVFQV-IUCAKERBSA-N	221.065	-0.089	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC(F)(F)C1	2243420230	OWMBFKAEDZHESL-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
O=C(NCc1ccno1)[C@H]1C[C@H](B(O)O)C1	2243427333	TZFSYVBNLYXGIP-LJGSYFOKSA-N	224.025	-0.456	50	10	BBGE	
C=C(CS(=O)(=O)NCCCC(C)C)B(O)O	2243433342	LBFVOGBMMSLHBS-UHFFFAOYSA-N	249.141	-0.090	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2243759606	ZJVRHTOMVPEJBL-NTSWFWBYSA-N	229.041	-0.829	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC1(C)COC1	2245008199	MUVCOTRKSCZYQW-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
C[C@H](C(=O)Nc1ncccc1B(O)O)C(F)F	2247460835	GLYCRSGSDOUBMR-YFKPBYRVSA-N	244.006	-0.399	50	10	BBGE	
CN(CC1[C@@H]2CCCC[C@@H]12)C(=O)C#CB(O)O	2247740434	KNOOCWHWDCSKIV-NXEZZACHSA-N	235.092	-0.104	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247741114	UVDIHGKAWOAGBB-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CC1)CC2(F)F	2247741779	FVHZCXOQCOIWGW-UHFFFAOYSA-N	243.018	-0.350	50	10	BBGE	
O=C(C#CB(O)O)NCc1cc(F)ccc1F	2247743986	LYIUSZJOTIMRPW-UHFFFAOYSA-N	238.986	-0.404	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2CC[C@H]1OC2	2247747761	RYSKJZOURYMJDO-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
Cc1ncc(CNC(=O)C2(B(O)O)CC2)n1C	2247751385	WYJBBXJHVMVRPI-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
CN(CCF)C(=O)c1cccc(B(O)O)c1F	2247752090	IHFWFIQCNDBVHN-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@H]21)C1(B(O)O)CC1	2247755463	JZUYEKYJZVPZBP-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CC1CCN(C(=O)c2occc2B(O)O)CC1	2247756115	MGCWCFSSOMQKAO-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(NC1CC2(CNC2)C1)C1(B(O)O)CCC1	2247757028	USJABWGMPRCRGQ-UHFFFAOYSA-N	238.096	-0.748	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247759262	ZMCXABRPVQTMTF-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788127	ZROOWVQVZHRSJB-AXTSPUMRSA-N	243.112	-0.239	50	10	BBGE	
CC(C)(CCCO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247797177	GVRIYVVDKWEYNS-IUCAKERBSA-N	243.112	-0.236	50	10	BBGE	
CN1CCC(N(C)C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247807674	ROCIQKZTZFXSCB-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247854647	GNBPLYSTIQRFAR-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CN(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247859794	PKDMVVFJIHJYLQ-UTLUCORTSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)[C@H]1C	2247869039	KVCVMCDDHCKDLF-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CC1(C)NCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247870112	FAQYFTYASDMUTH-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@@H]1COCCC1(F)F)C1(B(O)O)CC1	2247874271	PJCIPYUTRDLGIK-ZCFIWIBFSA-N	249.022	-0.466	50	10	BBGE	
C[C@@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H]1B(O)O	2247888214	XCZZQDCXPZJGPS-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCCOCC1CC1)[C@@H]1C[C@@H]1B(O)O	2247895630	UQLMBJLOYZEACK-ZJUUUORDSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1CN	2247896356	YOAAANHXWDGJIZ-ZYUZMQFOSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247899333	MNCYMOBXHPGLTQ-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902086	CIKYGOZKXCVQJU-SRQGCSHVSA-N	238.096	-0.955	50	10	BBGE	
CC(C)(CNC(=O)C1(B(O)O)CCC1)C(=O)O	2248584983	DUVFERFKSMFRCD-UHFFFAOYSA-N	243.068	-0.390	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2CCCC[C@H]21	2249998407	IMFHMHQDTTZVLJ-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ncncc1B(O)O	2254287887	IJDUSBCWKAHNGB-YWVKMMECSA-N	247.107	-0.076	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1coc(B(O)O)c1	2255454794	RYFMXHVRXWBGJL-CABZTGNLSA-N	249.075	-0.121	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1ccoc1B(O)O	2255468502	BPBKWJNFJGQOPS-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1occc1B(O)O	2255481847	MMFPDSWRWZRXAY-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1F	2255501583	CIAYGDIQCDLJSL-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1C[C@H]2C[C@@H]2C1	2255514061	CJOZKEDUICWNFH-RKDXNWHRSA-N	249.050	-0.403	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ccc(B(O)O)cn1	2255517197	UDSZTCQZQRFTEA-LBPRGKRZSA-N	248.091	-0.224	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ncccc1B(O)O	2255517618	WOYJZQHLTCBWBQ-PSASIEDQSA-N	248.091	-0.368	50	10	BBGE	
C[C@H](CNC(=O)c1ncccc1B(O)O)C1CC1	2255518214	ZULDXFYRDHSRMX-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
C[C@@H](CNC(=O)c1ncccc1B(O)O)C1CC1	2255518215	ZULDXFYRDHSRMX-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
C[C@@H]1CCC=C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2255554967	URIJUKOUUIVKDN-APPZFPTMSA-N	249.079	-0.826	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@]12CCC[C@H]1C2	2255727811	VVHXELPVDQFXHP-QPUJVOFHSA-N	249.075	-0.060	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@H]2CC[C@H]1C2	2255760735	VSJDLYBXUIVHNK-SFYZADRCSA-N	249.079	-0.896	50	10	BBGE	
CC1=C[C@H](NC(=O)c2c[nH]nc2B(O)O)CCC1	2255791417	OSYBPDBZUVRVJX-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1c[nH]nc1B(O)O	2255792361	GJWAKTOUBCSYCC-OOZYFLPDSA-N	249.079	-0.992	50	10	BBGE	
C#CCCN(C)C(=O)Nc1ccc(B(O)O)cc1	2255890465	OTZGVQYFAQGUOJ-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1CC1(C)C	2257492478	WCTIDYWEPTWCCN-VIFPVBQESA-N	248.091	-0.402	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1[C@H]2CCC[C@H]21	2258129621	XRMXEQKZSFHYDA-JZYVYDRUSA-N	249.075	-0.170	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3cocc3B(O)O)C[C@H]21	2258129809	YPSIOGXZHJSTDJ-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
C[C@H]1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)O1	2298370350	WLXWJPWOCNZJMH-MFDQJXRNSA-N	241.096	-0.079	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2[C@@H](C)C[C@H]2C)n1	2301181014	XABYVBRJSDTIOG-MTBHXBHISA-N	236.080	-0.112	50	10	BBGE	
CO[C@H]1C[C@@H](N2CC[C@@H](B(O)O)C2)C[C@H]1OC	2303097421	BBKZULSDCVNDRN-CHWFTXMASA-N	243.112	-0.273	50	10	BBGE	
CCN1C[C@H](CN2CC[C@@H](B(O)O)C2)OC1=O	2303098013	SYZAIDXCXUAGPH-BDAKNGLRSA-N	242.084	-0.624	50	10	BBGE	
CCN1CCO[C@@H](CN2CC[C@@H](B(O)O)C2)C1	2303098829	HLUPSKRVUJITAJ-GHMZBOCLSA-N	242.128	-0.744	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2C[C@H]3C[C@H]3C2)C1	2303167529	QFGJFCVWWWGPRV-NGZCFLSTSA-N	238.096	-0.003	50	10	BBGE	
C=CC[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2317164199	WTJKGOVCCUCTQX-NSHDSACASA-N	246.075	-0.413	50	10	BBGE	
COCCCNC(=S)NNC(=O)CC#N	3161824	LWBCKKVWOKOIJO-UHFFFAOYSA-N	230.293	-0.568	50	10	BBGE	
CC(=O)NC(=O)/C(C#N)=C\N1CCOCC1	33382874	INLAQEBZWUGXQT-CLFYSBASSA-N	223.232	-0.611	50	10	BBGE	
Nc1nc2ncn(COCCCl)c2c(=O)[nH]1	33494311	UEHHWDODGYDIPF-UHFFFAOYSA-N	243.654	-0.085	50	10	BBGE	
O=C(NNC(=O)C1CC1)C1CCNCC1	49814974	NUWNNXJDSIBJMW-UHFFFAOYSA-N	211.265	-0.457	50	10	BBGE	
O=C(NCCCCl)C(=O)N1CCOCC1	59765490	XDFIAAVTEVLIDK-UHFFFAOYSA-N	234.683	-0.410	50	10	BBGE	
COC(=O)NNS(=O)(=O)CC(C)C	66577092	GEAIPDPIDQBBOI-UHFFFAOYSA-N	210.255	-0.167	50	10	BBGE	
NNC(=O)N1CCN(C(=O)c2cccnc2)CC1	71564098	VHHYWXSFXUWHJI-UHFFFAOYSA-N	249.274	-0.577	50	10	BBGE	
CC(C)OCCn1cc(C(=O)NN)nn1	82463757	ZWQXMCBLKQHORJ-UHFFFAOYSA-N	213.241	-0.693	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C)C1	82466156	TUWNCGXKNWLAAB-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NC[C@H]1CCN(CCCC(=O)NN)C1	82468096	GTOBZVDGXCTBMI-MRVPVSSYSA-N	200.286	-0.963	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	86933494	NJWXCFXCEBNLEM-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@H]1C(N)=O	110589922	OWLDQAQANHPCOY-VIFPVBQESA-N	242.323	-0.514	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCOC	212014779	MIALWYUKVOAXGD-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
NNC(=O)CCCn1ccc(=O)c([N+](=O)[O-])c1	212797211	ZLYMUXNVIADFKS-UHFFFAOYSA-N	240.219	-0.473	50	10	BBGE	
CCN(CCC#N)C[C@H]1CC[C@@H](C(=O)NN)O1	223107222	LARMEMQKYCUKOI-ZJUUUORDSA-N	240.307	-0.241	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCCO1)C(=O)NN	232417508	GQCBOOSMERLADX-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C(C)C)C1	232420735	XKSQKLGDYLZFJR-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1CN(C)CCN1CC(C)(C)C(=O)NN	235469148	SEPSTHOAZBZEEK-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
CCOC[C@@H](NC(=O)CCl)C(=O)O	238286560	RXWQCFFRMYCROI-RXMQYKEDSA-N	209.629	-0.169	50	10	BBGE	
OB(O)c1ccnc(C(F)(F)F)c1O	238629898	KSSUPPBODHEGET-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCCC[C@H]1O	252929615	SMQOUZBHUPUOOZ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
N#CC1=CS(=O)(=O)C(N2CCOCC2)=N1	260244217	YCHHUIBPXYOAMU-UHFFFAOYSA-N	227.245	-0.532	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)[C@H]1CCCO1	293776081	DSPPVJLRVQIJGN-MRVPVSSYSA-N	238.247	-0.791	50	10	BBGE	
CC(C)(C=NNC(N)=O)[C@@H](O)C(=O)O	308351820	MEXYXRBCFKOLSF-BYPYZUCNSA-N	203.198	-0.888	50	10	BBGE	
CO[C@@H](C)CN(C)CCCC(=O)NN	308540748	NWCNISOMNUTHRF-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(C)[C@@H](On1nnc2ccccc21)C(=O)NN	310780851	OTVXNBFKTKUGQG-SNVBAGLBSA-N	249.274	-0.126	50	10	BBGE	
CC(=O)NNC(=O)CNCc1ccco1	380237207	MPMOODQKHVODSA-UHFFFAOYSA-N	211.221	-0.464	50	10	BBGE	
O=C1CC[C@H](c2ccc(B(O)O)cc2)CN1	382677488	YRAYOENYNUGFOW-VIFPVBQESA-N	219.049	-0.640	50	10	BBGE	
CCCN(CC(F)F)[C@@H](COC)C(=O)NN	387331768	UBBRRLPQTJPYHY-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
CNC(=O)CN(C)CCC(C)(C)C(=O)NN	395821364	SCCQIINSBXFPSG-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
N#CCCc1cc(/C=C/C(=O)O)cc(B(O)O)c1	396144263	YLBPMNQBMVYGHM-ONEGZZNKSA-N	245.043	-0.080	50	10	BBGE	
OCc1cc2c(B(O)O)c(O)ccc2s1	396339965	KWJXQMFTSWUQFE-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C(=O)NC1CC1	405153828	UTRDUVXLPTYMRH-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
O=C=Nc1nc2n(n1)CCS2(=O)=O	527024253	FSDQNGSVXWIFIB-UHFFFAOYSA-N	200.179	-0.967	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(=O)oc1	606283021	CRPQHLOGOKUDDK-UHFFFAOYSA-N	213.218	-0.882	50	10	BBGE	
CCc1cc(Cn2cc(B(O)O)cn2)n(CC)n1	694548779	QMRQUHSFGGSJKP-UHFFFAOYSA-N	248.095	-0.610	50	10	BBGE	
CC(C)C[C@@H](Sc1nnnn1C)C(=O)NN	695128234	ZCUVODPUVIAZRP-ZCFIWIBFSA-N	244.324	-0.293	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2n[nH]cc2c1	700880380	VQPCYJBYRJNAOP-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=S	704387126	UDUFPNREUPBEKP-ZETCQYMHSA-N	246.336	-0.598	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccsn1	705452715	JADZBGSECFNFMZ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CC[C@H]1C	713753736	DZPGWAYYNSKNGH-RGOKHQFPSA-N	229.324	-0.154	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCSC1	718253290	FBKYCFHUTUUAJO-DTWKUNHWSA-N	247.364	-0.324	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2OCC[C@@H]2C1	724823468	UTZMWKONAJDOSD-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCOCC1)C1CC1	746093559	RYMYEUYXWWYJDM-VIFPVBQESA-N	242.275	-0.669	50	10	BBGE	
COc1ccc(O)c(C(=O)NNC(=O)CO)c1	753443792	AQWFKDLOLINZBT-UHFFFAOYSA-N	240.215	-0.846	50	10	BBGE	
CN(NC(=O)[C@H](O)C1CCOCC1)C1CC1	819646824	GNPNQDPGNQXUCB-SNVBAGLBSA-N	228.292	-0.101	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H](OC)[C@H]1CCOC1	854163392	SZVLXKAIXJKMDX-JGVFFNPUSA-N	246.263	-0.185	50	10	BBGE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)OC	891769944	DRNIHOLBOGSDRM-NKWVEPMBSA-N	244.247	-0.037	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H](C)c1cncnc1	910152697	MZLBPPRISRASMZ-DTWKUNHWSA-N	238.291	-0.076	50	10	BBGE	
O=C(NNC(=O)c1ccns1)c1cnn[nH]1	1136677579	XOEPZUPOCFIVSA-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNc1nc[nH]n1	1161431564	IYMQNROOCMKCIL-SSDOTTSWSA-N	238.251	-0.741	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H](C)CCN(C)C	1299011905	YKJOBWBXILKRIV-ZJUUUORDSA-N	231.340	-0.082	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NN(C)[C@@H](C)CO	1639064428	MUFOIMRBHGVPBR-UWVGGRQHSA-N	231.340	-0.082	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1CC12CC2	1648531165	PGGUTNBYCKCVIT-ZETCQYMHSA-N	211.265	-0.505	50	10	BBGE	
CCOC(=O)NN(CC(=O)O)CC(=O)O	1858081355	GKOOCKYWQBIYHV-UHFFFAOYSA-N	220.181	-0.881	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H](Br)C1	1881364135	DNCFDJPMTCEXBH-IZLXSQMJSA-N	237.097	-0.227	50	10	BBGE	
O=C(O)CONC(=O)NC[C@@H]1C[C@@H]1Cl	1893119931	RPWFIIUXZCBZJU-WHFBIAKZSA-N	222.628	-0.071	50	10	BBGE	
C[C@@H]1C[C@@]2(CCN([C@H](C)C(=O)NN)C2)CO1	1899561244	FERBADAXDQCWJL-FXPVBKGRSA-N	227.308	-0.134	50	10	BBGE	
C#CCCCOC[C@@H]1CC[C@H](C(=O)NN)O1	1900770538	PEZOOTMTDRDCOD-VHSXEESVSA-N	226.276	-0.046	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CC[S@@](C)=O	1901757419	QUVZSTJANFHTNV-JDNHERCYSA-N	249.380	-0.155	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@H]1C[C@H]1C(=O)NN	1904707239	DPXFBQXESXKQOZ-OPRDCNLKSA-N	228.340	-0.506	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)O1	1927915884	AJDXBTXLJKHTKZ-VQVTYTSYSA-N	213.237	-0.547	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(OCC(N)=O)C1	1928132603	JYYWBPFBSRHKJC-ZCFIWIBFSA-N	234.683	-0.426	50	10	BBGE	
Cc1ncc(OC(F)F)cc1B(O)O	1929657661	OQBKOHNLWPIXQV-UHFFFAOYSA-N	202.953	-0.329	50	10	BBGE	
COc1ccc(C(=O)NNCCO)cc1	1929836512	KRRWFRROVZJBGR-UHFFFAOYSA-N	210.233	-0.078	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C)(CO)C1	1935358129	GTFKAWHBQNQSMR-QMMMGPOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936093169	BITGWTTWAUZWNF-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1936095446	XDPOTCWQCNTJQN-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)CCCO1	1936531094	BNVKNXBUBYDXAO-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1943089186	JOLWOTLFSKLWEA-GMTAPVOTSA-N	241.335	-0.296	50	10	BBGE	
COc1ccc(OC)c(C(=O)NNCCO)c1	1944214912	APGREVNXXFEXPR-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)C[C@H]1COC	1944295093	FLHVJIYEPBJQBU-UWVGGRQHSA-N	245.323	-0.793	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](N(C)C)CC12CCC2	1949696785	HVJUQIBFFRUSPO-ZJUUUORDSA-N	240.351	-0.077	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1949697278	NENXQDBOLCCNHL-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
COC(=O)c1nn(C)cc1C[C@@H](O)C#N	1952221748	HMYDPCDOZHSXKG-SSDOTTSWSA-N	209.205	-0.366	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2	1956535570	NFEFHLVOFGQPGO-KVQBGUIXSA-N	215.278	-0.582	50	10	BBGE	
CC[C@@H](COC)N(C)C[C@H](C)C(=O)NN	1957482498	NDFUCDBMBNOQRH-IUCAKERBSA-N	217.313	-0.031	50	10	BBGE	
COCCSc1ncc(C)cc1B(O)O	1961710717	VFLFBIUYQOIQHQ-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)C[C@@H]1F	1961718008	IXJUWNCYEIJGKK-RITPCOANSA-N	230.073	-0.383	50	10	BBGE	
COC[C@@]1(C)CCN1[C@@H](C)CC(=O)NN	1974734564	NAOXRCURROECRH-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CC(C)(CN(C1CC1)C1COC1)C(=O)NN	1977189459	WAKSUIPBWWJKTJ-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(C)(F)F)C(=O)C(=O)NN	1978614537	OYNOPWFIOGVEBN-RITPCOANSA-N	235.234	-0.274	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC=C(CO)CC1	1980967156	PYVUNEXMRYLHLJ-ZJUUUORDSA-N	225.292	-0.763	50	10	BBGE	
CCON(CC)c1ncc(C)cc1B(O)O	1981473154	XAIYGUMRLJMHNP-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CCCC(=O)NN	1984070309	WTWPJEXHFYMCLE-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)CCCC(=O)NN	1988558371	WMFLCFQVCDCXJT-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)ncn1	1991326479	HFCRFALLGYULKM-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
O=C(COCC(F)(F)F)NCC=CB(O)O	1991330243	KVIGUGYYAXXLJG-UHFFFAOYSA-N	240.974	-0.750	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3Cl)C[C@@H]12	1991693044	KYDQUFNPLCLTQY-GBNDHIKLSA-N	242.662	-0.655	50	10	BBGE	
C[C@H]1CN(C(=O)/C=C/C(=O)Cl)CC(=O)N1C	1991714641	JQLZQWNLJRZXCP-SDLBARTOSA-N	244.678	-0.003	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(=O)N2CCC[C@@H]2C1	1996427001	LMBYSTPFTICLRL-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)OC1CCC1	1996645457	JXFAUMQETPYZQR-UHFFFAOYSA-N	237.024	-0.743	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC3(CCC3)CO2)c1	2001616271	VOGQATGPPMINAI-SNVBAGLBSA-N	236.080	-0.478	50	10	BBGE	
CN(CCCF)Cc1nn(C)cc1C(=O)NN	2003508165	AAILNBYWDZHGQR-UHFFFAOYSA-N	243.286	-0.185	50	10	BBGE	
CCC1(O)CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010834661	FXAQMXMLLMXIOU-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN(C)c1ncncc1B(O)O)C(F)F	2012199118	FBJSSZNLAGBSHD-ZCFIWIBFSA-N	245.038	-0.506	50	10	BBGE	
CO[C@@H]1CCN(C(=O)NN(C)C)[C@H](C(=O)O)C1	2014385550	QHRGQHXGQMEOIU-SFYZADRCSA-N	245.279	-0.263	50	10	BBGE	
CN(C)NC(=O)N[C@]1(C(=O)O)C[C@@H](O)C1(C)C	2018004084	ZPBPSEJBCFUYGA-LDWIPMOCSA-N	245.279	-0.624	50	10	BBGE	
CC(C)(Oc1ncc(B(O)O)cn1)C(F)(F)F	2018111071	AJGNHRLRNCCLPI-UHFFFAOYSA-N	249.985	-0.124	50	10	BBGE	
CC(=O)NNC(=O)Cn1cnc(C2CCC2)n1	2019211784	QPNSBAMUBORLAR-UHFFFAOYSA-N	237.263	-0.287	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@@H](C2)C3)c(F)c1	2021439247	KYXDUGSAXQEDKJ-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CCNC(=O)N1CCc2c(cccc2B(O)O)C1	2032580393	XPRXJNVDOPAAOG-UHFFFAOYSA-N	248.091	-0.546	50	10	BBGE	
CCN(C)C1CN(c2ccc(B(O)O)c(C)n2)C1	2052624503	GFVFAJCCTIMTBJ-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
O=Cc1ccc(Cl)c(B(O)O)c1[N+](=O)[O-]	2060130596	NEGVIPZHQAHJFH-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
N#Cc1ccc([N+](=O)[O-])c(F)c1B(O)O	2060187062	CKANNXMIPZCXDP-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
OCc1cc(OC(F)(F)F)cc(B(O)O)c1	2069571076	LRJNCNDYRNNIBO-UHFFFAOYSA-N	235.954	-0.243	50	10	BBGE	
N#Cc1cccn1C[C@]12C[C@](C(=O)NN)(CO1)C2	2082602993	PJUOJELJFZAPQW-HAQNSBGRSA-N	246.270	-0.101	50	10	BBGE	
CNc1ncc(Br)cc1B(O)O	2209093188	CTQXQYGSUHIIFP-UHFFFAOYSA-N	230.858	-0.434	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212293783	MHRGVYDXEKEHHI-SRSLHRDFSA-N	220.037	-0.666	50	10	BBGE	
CC[C@@H](CO)CNc1ncccc1B(O)O	2212601463	OHNIXXJYDWBSHZ-MRVPVSSYSA-N	224.069	-0.808	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)CO1	2212601554	POZUSTVKNWEFPJ-APPZFPTMSA-N	222.053	-0.649	50	10	BBGE	
N#Cc1ncccc1OC[C@@H]1C[C@@H]1C(=O)NN	2214887312	UVUPHPDTCAFUGR-YUMQZZPRSA-N	232.243	-0.042	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2216676338	FSLCRTPZGMQJNN-APPZFPTMSA-N	249.261	-0.278	50	10	BBGE	
OB(O)c1cnc(NC2(C(F)(F)F)CC2)nc1	2217172190	HXKSNYLINUHKIB-UHFFFAOYSA-N	246.985	-0.337	50	10	BBGE	
CC(C)(N)CCCN=c1ccc(B(O)O)c[nH]1	2217179108	GLXGSTNGMDWZLR-UHFFFAOYSA-N	237.112	-0.887	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2[C@H](C)O)cc1B(O)O	2217184634	QOWOHRHOHWTHJW-WCBMZHEXSA-N	236.080	-0.971	50	10	BBGE	
CC[C@H](N)[C@@H](CC)Oc1cc(B(O)O)ccn1	2217193668	OHVONGJGRDKJFH-VHSXEESVSA-N	238.096	-0.344	50	10	BBGE	
CO[C@H](CNc1ccc(B(O)O)cn1)C(C)C	2217200302	JJJHHDBKEIYCQC-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
CN1CC[C@@H](CNc2cc(B(O)O)ccn2)C1	2217204376	IWDAISMKGHMEQL-VIFPVBQESA-N	235.096	-0.875	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CC[C@H]2CNC3)nc1	2223641327	STVYIRBTBHMCKT-CABZTGNLSA-N	247.107	-0.827	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H](N)C2(C)C)cc1B(O)O	2223653923	VVTZBRYDXAUHBI-VHSXEESVSA-N	249.123	-0.392	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNC[C@@H]2C2CC2)nc1	2223657498	BRECAZNPEHAOEY-MNOVXSKESA-N	248.091	-0.862	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2223668932	DDANRGYITCREIO-QWRGUYRKSA-N	249.123	-0.344	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2ncccc2B(O)O)N1C	2223675096	PJZBJICSPPCMLE-UWVGGRQHSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3COCC[C@@H]32)c1	2223678838	IMENDOLDBWZWBW-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
N[C@H]1CN(c2ccc(B(O)O)cn2)CC12CCC2	2223680041	XYUMAALYBOCUHB-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
CN(C)CCN(CCN)C[C@H](Cl)C#N	2241373442	QJUKUEDGODEBEX-SECBINFHSA-N	218.732	-0.060	50	10	BBGE	
C=CCN(C)S(=O)(=O)CC(=C)B(O)O	2241491235	RGIYXUHCQQCHSE-UHFFFAOYSA-N	219.071	-0.998	50	10	BBGE	
O=C(OCCl)N1CC[C@H]1[C@H](O)CO	2241824582	KWPFMNFHFFUWJU-NTSWFWBYSA-N	209.629	-0.253	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cscc1B(O)O	2243346930	GBENMWRBQXBIQS-MRVPVSSYSA-N	239.105	-0.044	50	10	BBGE	
O=C(NOCCC(F)(F)F)C1(B(O)O)CC1	2243364342	VNASHBWYYXFFRF-UHFFFAOYSA-N	240.974	-0.006	50	10	BBGE	
CC[C@@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396094	HGSLDLWUYSOPDV-NRPADANISA-N	229.085	-0.483	50	10	BBGE	
C=C1CCN(C(=O)c2sccc2B(O)O)C1	2243408100	GZGVOVNLNFKLBN-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
O=C(NCCC1COC1)[C@H]1C[C@@H](B(O)O)C1	2243426758	LNLNZIVQNDPUNA-DTORHVGOSA-N	227.069	-0.608	50	10	BBGE	
O=C(NCCn1cccn1)C1(B(O)O)CCC1	2247721479	DWNZXUFIXKTGNZ-UHFFFAOYSA-N	237.068	-0.604	50	10	BBGE	
COc1ccc(CNC(=O)C#CB(O)O)cc1	2247741705	DNNHXEZBPAZDIJ-UHFFFAOYSA-N	233.032	-0.673	50	10	BBGE	
CCCCCCN(CCO)C(=O)C#CB(O)O	2247744538	UOGLWZPCEGIHLP-UHFFFAOYSA-N	241.096	-0.597	50	10	BBGE	
O=C(NC1CC2(CCNC2)C1)C1(B(O)O)CC1	2247750315	HHMDDSPGOIGPDJ-UHFFFAOYSA-N	238.096	-0.748	50	10	BBGE	
O=C(NCC(F)F)c1cccc(B(O)O)c1F	2247752836	WSLLAHDQIKMZBV-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
CCC(CC)(CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247796815	CYGAONXEPVNRLQ-IUCAKERBSA-N	243.112	-0.236	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCCN1	2247804594	HVOCBOOYOCABTR-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247808375	URBHOHPAHONCFB-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
CN1CCN(C(=O)C2CC(B(O)O)C2)[C@H]2C[C@H]21	2247809790	RKJAZZNWQRVKHR-BMNUFHGDSA-N	238.096	-0.846	50	10	BBGE	
CCC[C@H]1CCOCCN1C(=O)C#CB(O)O	2247851208	WSLNRHJXWAANSG-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)ccc1C	2247873076	DGNWIGJAJOJKQY-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
COC[C@H]1C[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247892787	HWWLZXFGBAYKTM-DSAQSWLYSA-N	241.096	-0.362	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C=CCC1	2248414919	RKXURGVJLRTCHI-MRVPVSSYSA-N	232.048	-0.334	50	10	BBGE	
CC1(C(=O)O)CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248569615	RHTIRIUGDWUWEF-ZBFMHRLGSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C(=O)O	2248575552	BAHWCTBRPJSDMA-DKXJUACHSA-N	241.052	-0.829	50	10	BBGE	
C[C@H](CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248578692	UTSZILHWAULOMK-PRJMDXOYSA-N	243.068	-0.582	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248587745	UFDXGAHGHJYGTC-RQJHMYQMSA-N	241.052	-0.828	50	10	BBGE	
NNC(=O)c1cc(CO[C@@H]2C=CCOC2)on1	2249279076	GENPURYNMBUQKM-SSDOTTSWSA-N	239.231	-0.250	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249427105	CLTCWJISBOVYTD-SECBINFHSA-N	235.048	-0.250	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1n[nH]cc1B(O)O	2250877535	GMXLLYYMNRRNBI-SSDOTTSWSA-N	237.068	-0.969	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@@]2(C)C1	2255444160	IPLPEVZUTKGOCU-UFBFGSQYSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1Cc2ccccc2CN1C(=O)C#CB(O)O	2255460383	SRFWBAZDELKPQK-SNVBAGLBSA-N	243.071	-0.025	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CCNC2	2255477110	VMYOUORPSOSKOL-UHFFFAOYSA-N	244.059	-0.714	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ncncc1B(O)O	2255504312	LXJDYCSXLHKOKY-YUMQZZPRSA-N	249.079	-0.831	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)c(OC)c1	2255554333	LFQVZMCNVIWTPQ-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2n[nH]cc2B(O)O)C1	2255554561	OCTWDWSPMPBWTM-SSDOTTSWSA-N	249.079	-0.872	50	10	BBGE	
Nc1ccccc1NC(=O)c1ccoc1B(O)O	2255710903	RBSKJVRKTUEXKF-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)cc2O)C1	2255954430	YSLZUVDBTNNTLL-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
OB(O)[C@@H]1CCN(CC#CBr)C1	2297009404	VCRRAPGAGQISQN-SSDOTTSWSA-N	231.886	-0.109	50	10	BBGE	
C#C[C@@H]1N(c2cc(B(O)O)ccn2)CC1(C)C	2299564249	LVPQQKVYOMUJBF-JTQLQIEISA-N	230.076	-0.391	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC[C@H](F)C1	2299875942	QIJNFMILGDPWBK-AMDVSUOASA-N	245.059	-0.564	50	10	BBGE	
N[C@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2301453270	SVTHAKZOKMSOBP-WAAGHKOSSA-N	234.064	-0.920	50	10	BBGE	
C[C@H](CCCC(=O)NN)OC[C@@H]1COCCO1	2301983479	XSHDKTZPVUJZDL-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H](O)C2(CC2)C1	2302059001	HTHIKNNBWGGLLH-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@](C)(Cn1ccc(C)nc1=O)C(=O)NN	2303435310	SWGQDUHZAWWZDW-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCOC2)ncc1F	2303859682	YOSCWHNNVLEFCF-ZETCQYMHSA-N	241.027	-0.684	50	10	BBGE	
COCC(=O)Nc1cc(F)c(F)cc1B(O)O	2306882874	GWIIIGZDCWSFLJ-UHFFFAOYSA-N	244.990	-0.771	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C1CCOCC1	2307936600	PTRURKNZOWTCCJ-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)nc1	2312612179	FWMLXCBEOWXURX-OINDSLJFSA-N	248.091	-0.667	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCCOC1	2317155717	SNPOKXYIKBGMCQ-NSHDSACASA-N	246.075	-0.171	50	10	BBGE	
CCC#CC(=O)NCc1ccc(C)c(B(O)O)c1	2319243965	QZPKFXDPIFGXFZ-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
C=CCC(C)(C)C(=O)Nc1ncc(B(O)O)cn1	2321222649	JIRQUUXCDZEGOW-UHFFFAOYSA-N	249.079	-0.303	50	10	BBGE	
CC1(C)[C@H](N)CCN1Cc1cccc(B(O)O)c1	2327324419	RKGRNYLCOGCPJW-GFCCVEGCSA-N	248.135	-0.322	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSCCO)O1	82472509	WNERTRGDUGMWHK-RNFRBKRXSA-N	220.294	-0.751	50	10	BBGE	
CSCC(=O)N1CCC(C(=O)NN)CC1	82472803	TVDMAFCXPQWLDJ-UHFFFAOYSA-N	231.321	-0.422	50	10	BBGE	
NNC(=O)C(=O)NCCOC1CCCCC1	82627932	LPBQHHXHQUGXDV-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
CN(C)[C@H]1CCCN(CC(=O)NN)C1	84420989	QEAJAAQYELXFRG-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CC(C)NC(=O)CN(C)CC(C)(C)C(=O)NN	93728056	QAYAYCBCVDFSNE-UHFFFAOYSA-N	244.339	-0.541	50	10	BBGE	
NNC(=O)/C=C1/Oc2ccccc2NC1=O	108483899	NHHOSGDAECRXDO-VMPITWQZSA-N	219.200	-0.109	50	10	BBGE	
COCC(C)(C)C(=O)NNC(=O)[C@H]1CCCO1	119599970	OMUUVNDTMDXMCZ-MRVPVSSYSA-N	244.291	-0.015	50	10	BBGE	
N#C[C@@H](Cl)CN1CCO[C@@H](CO)C1	132557706	JMOLDLKMXIJUSX-HTQZYQBOSA-N	204.657	-0.190	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOC[C@@H]1CCl	159495066	WRWNTTJKRGAQOC-ZETCQYMHSA-N	242.728	-0.268	50	10	BBGE	
CNC(=O)OCCNC(=O)N(C)N=O	205135236	JPZRNEDWMCRAST-UHFFFAOYSA-N	204.186	-0.335	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CN)C1	222176170	CHMPIPOBUWVKNW-CIUDSAMLSA-N	214.313	-0.719	50	10	BBGE	
CC(C)[C@@H](NC(=O)NC(=O)CCCl)C(N)=O	231058825	QEVATTIHFKIIOG-SSDOTTSWSA-N	249.698	-0.049	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1)C(=O)NN	238428639	GIAKPNUORJNHTA-LURJTMIESA-N	208.221	-0.810	50	10	BBGE	
NC(=O)NN(C=O)Cc1ccccc1O	238587563	ZOKZIAPAVLQFQY-UHFFFAOYSA-N	209.205	-0.066	50	10	BBGE	
CNC(=O)CS[C@H](C)CCC(=O)NN	300825433	NQKOZXMCLQQDSX-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
CO[C@H](C)CN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	302632249	TWKIYOALRWQMFR-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1CCO	304534084	JFWHZTDCVCZFNY-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Br)CN[C@H]12	306962121	BUILLGUUARROIS-JKUQZMGJSA-N	234.097	-0.843	50	10	BBGE	
C/C(=N\NC(N)=O)c1ccc(=O)n(C)c1	308677381	QEEGRQWQMQPYNQ-IZZDOVSWSA-N	208.221	-0.222	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@](C)(CN)C1	310297330	PEKNRCXNGUDEGS-LDYMZIIASA-N	242.323	-0.930	50	10	BBGE	
Cc1nc(N2CCC[C@@H](C)C2)ncc1B(O)O	382728215	RZSLLYIBQQOBLF-MRVPVSSYSA-N	235.096	-0.299	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSCC[C@H]1C	385752892	PNLMYLXACNTEMB-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1CN(Cc2ccoc2C(=O)NN)C[C@H]1O	388613503	MQDCUQQRWRBZNN-IONNQARKSA-N	239.275	-0.304	50	10	BBGE	
C[C@H](O)CN(C)CCC(C)(C)C(=O)NN	395630246	LWMFWESWAHWOMS-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
Nc1ccc(C=O)c2c(B(O)O)csc12	396232939	AXDYYEQBYRSXMJ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(C)(C)OC	404258444	UHFFPOXAXFKYMB-QMMMGPOBSA-N	233.312	-0.652	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(C)cc1B(O)O	404981935	JSCALNRMFOZXPF-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccc(B(O)O)cc2)CCOC1	687413669	JESUZSKVDRVCHJ-GFCCVEGCSA-N	249.075	-0.269	50	10	BBGE	
CN(C[C@@]12CCC[C@@H]1OCC2)C(=O)C(=O)NN	687520161	VFRPRBNBAZINRW-KWQFWETISA-N	241.291	-0.606	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2COC[C@H]2C1	690724371	RWIKJWDRXQJADU-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
C/C(=C\CNC(=O)NN(C)C)C(=O)O	692527890	BJBMWKJJKOIKKR-GQCTYLIASA-N	201.226	-0.207	50	10	BBGE	
CC1(C)[C@@H]2[C@H](CCCN2CCC(=O)NN)[C@H]1O	693088905	JHCPELUYWUPNQD-INTQDDNPSA-N	241.335	-0.152	50	10	BBGE	
Cn1nnc(CNNC(=O)OC(C)(C)C)n1	696801838	SWWAQNYEJDXBHB-UHFFFAOYSA-N	228.256	-0.261	50	10	BBGE	
CCOC(=O)NC(=O)/C(C#N)=C\NOC	701708132	CUXVIXQTOMVXPZ-WAYWQWQTSA-N	213.193	-0.182	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]1c1ccccc1	702030647	PXRUAMMBQKIEIN-UWVGGRQHSA-N	219.049	-0.082	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)[C@H]1C	706738736	NUFWXPGRAJWCCV-BWZBUEFSSA-N	201.270	-0.669	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(n2ccnc2)C1	707389827	WVJZOUUTPVBWNQ-VIFPVBQESA-N	237.307	-0.102	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	707961840	NLTKDKXYTIIILS-UFBFGSQYSA-N	245.087	-0.135	50	10	BBGE	
O=C(COC1CCC1)Nc1cccc(B(O)O)c1	716861870	DNLHDTWHTMHTDM-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(N)=S)C1	718477018	FJRDZUORCBQTIR-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
COC1(C(F)(F)F)CN(CCC(=O)NN)C1	724142165	MVXWVCXBUYCAHO-UHFFFAOYSA-N	241.213	-0.371	50	10	BBGE	
ClCC1=N[C@H](C[n+]2cc[nH]n2)[S+]=C1	725597171	KMBRDYBUZSTNJU-ZETCQYMHSA-O	216.697	-0.399	50	10	BBGE	
CC1=CC[C](C(=O)NCB(O)O)S1	725598472	JNAPEMPSBLVCHT-UHFFFAOYSA-N	200.048	-0.313	50	10	BBGE	
C=C(C)C[C@@H](NC(C)=O)C(=O)NN(C)C(N)=O	831519815	QQQRTHSAMAUCPJ-MRVPVSSYSA-N	242.279	-0.501	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CCCO1	863877780	FNPVLOJCWNSIHH-UHFFFAOYSA-N	221.021	-0.856	50	10	BBGE	
COc1ccc(NNC(=O)CCC(N)=O)nc1	1447828828	DFQFNMQIYDAFCL-UHFFFAOYSA-N	238.247	-0.201	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC1(F)F)[C@H]1CCCO1	1450395031	BVDBFSQSFGSBKZ-PHDIDXHHSA-N	234.202	-0.032	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cnn(C)c1OC	1568852867	PQESXRRIZIJAIY-UHFFFAOYSA-N	242.235	-0.228	50	10	BBGE	
C[C@H](Cl)C(=O)NC1([C@H](O)CO)CC1	1882988607	LYLSKNHHDGPEIL-NTSWFWBYSA-N	207.657	-0.384	50	10	BBGE	
O=C(CCl)N1CCO[C@H]2COC[C@H]21	1883211097	SMSZNTAELZMHCZ-RQJHMYQMSA-N	205.641	-0.149	50	10	BBGE	
C[C@@H](NC(=O)C=CC(=O)Cl)[C@@H](O)CO	1893418073	VYFTXAIWVLYKRU-RITPCOANSA-N	221.640	-0.834	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1[C@@H]2C[C@@H]1CN2	1893498442	UDVLRYNYBBFFBB-RHXOQYEDSA-N	214.652	-0.216	50	10	BBGE	
C=C(CO[C@@H]1CCOC[C@@H]1F)B(O)O	1895168934	FYJKBCCXOBCMON-JGVFFNPUSA-N	204.006	-0.302	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1898239347	XDXGTWXZQRZGLB-SGIHWFKDSA-N	227.308	-0.687	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@]2(CO[C@H](C)C2)C1	1899561248	FERBADAXDQCWJL-WCABBAIRSA-N	227.308	-0.134	50	10	BBGE	
CS[C@@H](C)C(=O)Nc1cc(B(O)O)ccn1	1899676166	SODGVYOQTQPXHM-LURJTMIESA-N	240.093	-0.549	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H]1CN	1901338928	FOIYIWVXCLNOGE-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H]1CN)S(=O)(=O)C1CC1	1901343570	XZXMLQSVTDUDDQ-XPUUQOCRSA-N	247.320	-0.964	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NN(C)S(C)(=O)=O)CN1	1901374848	WVNHNYZECNSRQE-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	1901997355	KIMRGLSPMZSJLN-IMSYWVGJSA-N	226.324	-0.611	50	10	BBGE	
O=C1C[C@@H](CN2CC[C@@H](B(O)O)C2)CCN1	1902545317	GNLNYYDSXJBFQK-DTWKUNHWSA-N	226.085	-0.939	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H](C)C(N)=O)C(=O)NN	1902719901	KDTWQVGTJBKVTF-XCBNKYQSSA-N	230.312	-0.802	50	10	BBGE	
CCC[C@H]1CN(C(=O)NN)C[C@H]1CO	1905246885	JGWJIYUPRFHYKI-YUMQZZPRSA-N	201.270	-0.090	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1911520783	VJIAAMGXZNPFEM-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCN1CC2(CCCC2)C[C@H]1CO	1912753134	HIMCCQPWJCIRSB-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914011548	SSODWXUZCVUAGB-ZJUUUORDSA-N	243.351	-0.049	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)co1	1914258953	YVMZWCRAIGRSLV-OIBJUYFYSA-N	239.275	-0.162	50	10	BBGE	
C[C@H](C(=O)N1CC=C(C#N)CC1)N1CCNCC1	1917108114	FWKHERQYZLHNKM-LLVKDONJSA-N	248.330	-0.038	50	10	BBGE	
NNC(=O)COCCN1CC2(CC2)CO1	1930149057	XHSPTZRJEGXVAT-UHFFFAOYSA-N	215.253	-0.980	50	10	BBGE	
CC(CO)(CO)N1C[C@](C)(CCl)C1=O	1931735636	AYSVJOGHGAZERP-QMMMGPOBSA-N	221.684	-0.183	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(C)COC1	1936093104	ATDDAFYYQKPCIG-DTWKUNHWSA-N	227.308	-0.419	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@H]21	1936287534	WXEMKQQWPSCBHY-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](O)[C@H]2C1	1938053616	SELFOSRQPOFQLQ-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC[C@@]2(C1)CC2(F)F	1939488522	JFLCZLVJKVGDJY-POYBYMJQSA-N	233.023	-0.060	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnnn1C	1939602331	UYDLVTHWGMUWRG-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
CN(Cc1cccnn1)CC1(C(=O)NN)CC1	1945882684	LRRONYXHQXGZMO-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
CN1CCOCc2cc(B(O)O)ccc21	1951335093	ZUKLVVCKSYIAMF-UHFFFAOYSA-N	207.038	-0.667	50	10	BBGE	
COC(=O)c1cnn(C)c1C[C@@H](O)C#N	1952769100	VFZKLNFNSALPLK-ZCFIWIBFSA-N	209.205	-0.366	50	10	BBGE	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NN	1956805157	PUKZRTJLGMEIPX-NTSWFWBYSA-N	223.298	-0.677	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@@H]1CC(=O)NC1=O	1956859753	ZXMRJJPUBPSWPV-NTSWFWBYSA-N	215.640	-0.536	50	10	BBGE	
O=C(CCCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1958775761	WBTALRBPQQNYAP-ZRUAGYDASA-N	233.695	-0.042	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2SC(=O)C=C2C1	1961446732	QSKUJQMJNBEZKC-ZETCQYMHSA-N	227.289	-0.750	50	10	BBGE	
C[C@H](CN1C(=O)C[C@@H](C)[C@H]1C)C(=O)NN	1961536278	JGVVDRDRIRINBC-BWZBUEFSSA-N	213.281	-0.131	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2OCC[C@@H]2C1	1961581301	AMWCOZKBTQZWGX-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
CCON(C)c1ncc(Cl)cc1B(O)O	1961718784	UBLICDLEPJSOFB-UHFFFAOYSA-N	230.460	-0.198	50	10	BBGE	
CCC[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976978759	CUJSXTRWNFKZQB-RNFRBKRXSA-N	231.057	-0.535	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1CCOCCCl	1978820668	SWFVXMJFGGUCDG-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
OB(O)c1cnc(OC2CC(F)(F)C2)nc1	1981421342	YLOWSKDLMRBTRN-UHFFFAOYSA-N	229.979	-0.667	50	10	BBGE	
CN(CC1CSC1)c1ncccc1B(O)O	1981423315	BVBFHZUAWCETOX-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
CO[C@@]1(CN(C)[C@@H](C)C(=O)NN)CCOC1	1987015244	PXGRNWZMAQRLHZ-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
CCNC(=O)N[C@@H](C)c1nscc1B(O)O	1987173990	CZUINTRRHYGTML-YFKPBYRVSA-N	243.097	-0.797	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCOC[C@@H]1F)C(=O)NN	1987226247	WSKMTXYXKFKJAP-VGMNWLOBSA-N	233.287	-0.329	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C2(CC2)C1	1987899526	KCKJCIKLCRQSQG-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CC(C)CN(C[C@H](C)C(=O)NN)C1COC1	1990127398	LNQBEYUAKLXVKX-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCSC1	1990774041	CZNVVGGBDZAPBR-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
O=S(=O)(CCCC1CC1)NCC=CB(O)O	1991345356	NLFHEFGQHQOREK-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
N[C@@H]1C[C@@H]2CN(C[C@@H]3C[C@@H]3Cl)CCN2C1=O	1991456259	QUOAKPCAZKKOTE-QCLAVDOMSA-N	243.738	-0.143	50	10	BBGE	
C[C@H]1CCC[C@H]1S(=O)(=O)NCC#CB(O)O	1992138186	DZPCDNRMPLALEY-DTWKUNHWSA-N	245.109	-0.890	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@H]1CSC2	1993714198	SLEARMHPQMPCQF-OIBJUYFYSA-N	243.332	-0.374	50	10	BBGE	
CC1(CC(=O)Nc2ccc(B(O)O)cn2)CC1	1996648404	ZEDBJHMPEMOKEF-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCN(C2CC2)C1)C(=O)NN	1997513697	VOFHVLGMAVHISD-GXSJLCMTSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCn2cccc2C1	2004184834	LIESWYZHXTZJAI-MWLCHTKSSA-N	234.303	-0.070	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CCN(C)C)n1	2005014514	MOLXHMOXJSWAMK-UHFFFAOYSA-N	237.112	-0.932	50	10	BBGE	
O=C(NCB(O)O)c1cc(C(F)(F)F)ccn1	2008614995	ZIUUPULPYOYVSN-UHFFFAOYSA-N	247.969	-0.158	50	10	BBGE	
CN(C)NC(=O)NCc1nc(C(=O)O)cn1C	2009442295	ZBORBEGEVZICQS-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H]1CF	2011853879	GARUNZQDLJQNMJ-ZETCQYMHSA-N	241.270	-0.433	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]1CNC(=O)OC	2014046450	UQVURJXNNAALEW-SFYZADRCSA-N	244.295	-0.815	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C(=O)C1	2014832921	ILZWMUGZJLAKMN-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CN(C)CCCOc1ncc(F)cc1B(O)O	2014928390	FNJKSOFUNYYWAA-UHFFFAOYSA-N	242.059	-0.769	50	10	BBGE	
COC[C@@H](O[C@@H]1CN2CCC1CC2)C(=O)NN	2021067967	LGFGGYJJEDUXKS-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
COC[C@@](C)(CN(C)C[C@@H](C)C(=O)NN)OC	2021121224	KNDFRWFRDKPKCS-MWLCHTKSSA-N	247.339	-0.404	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(OCCCO)CC1	2026351088	JHIQFPMFVNFVDN-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1ccncn1	2029097708	JGKABSXKGCFTNJ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC12CCC2	2032134261	HBOVLKQHISIXJI-VIFPVBQESA-N	246.075	-0.110	50	10	BBGE	
C=C1CON(CCOc2ccc(B(O)O)cc2)C1	2032262353	OJYCLQGGGZWKON-UHFFFAOYSA-N	249.075	-0.451	50	10	BBGE	
CN(C)C(=O)N1CCc2cc(B(O)O)ccc2C1	2032567387	FUIWLJONLIFOIY-UHFFFAOYSA-N	248.091	-0.594	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1[C@H]2CC[C@H]21	2041998916	ZDCZLAAKABYCDF-GDNZZTSVSA-N	245.087	-0.361	50	10	BBGE	
COC[C@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	2052490415	CLHJMDJHOLXIGO-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
CCCc1nccn1-c1ncc(B(O)O)c(C)n1	2052608217	GKWFYQULABTDKQ-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
Cc1cc(N2CC[C@@H]2CN(C)C)ncc1B(O)O	2052621389	GNXYBYNRWVNTDY-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
COc1nc(N2CC[C@H]2C2CC2)ncc1B(O)O	2052621644	JRWWSDUNPITXRK-VIFPVBQESA-N	249.079	-0.846	50	10	BBGE	
C[C@@H]1CCC[C@@H]1n1cnc2c(B(O)O)ncnc21	2055727934	HDVGBMXZLQECCS-SFYZADRCSA-N	246.079	-0.133	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@H]32)cn1	2056636966	XBUCJUCIULDFIT-MNOVXSKESA-N	248.286	-0.342	50	10	BBGE	
N#Cc1cc(C=O)c(B(O)O)cc1OC(F)F	2060272654	YTGASCPLDNMJLJ-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
CN(C)CC1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215776263	LSNWBOHJAPDOCK-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C[C@H](C)CO)C1	2216704209	TZRDVKIQPIZVGG-GXSJLCMTSA-N	243.351	-0.049	50	10	BBGE	
COC[C@@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2217175460	JCZAZKXGHGOPTQ-RKDXNWHRSA-N	238.096	-0.156	50	10	BBGE	
NC[C@@H](Nc1ncccc1B(O)O)C(F)(F)F	2217176509	XCHBVHQRUWNZPS-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
C#CC[C@H](C)CNc1nccc(B(O)O)c1F	2217180245	GDVQZTZZOYZOSB-QMMMGPOBSA-N	236.055	-0.028	50	10	BBGE	
C[C@H](CNc1nccc(B(O)O)c1F)N(C)C	2217183123	FWTNDBDQCCJXTM-SSDOTTSWSA-N	241.075	-0.738	50	10	BBGE	
Cc1cnc(Nc2cncnc2)cc1B(O)O	2217183792	OECDULIXSXCCDU-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C=CCCN2)nc1	2217195173	GNIFDPVKDDJHFF-SNVBAGLBSA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1	2217195655	MFUBTJDPKAMIOL-FXBDTBDDSA-N	233.080	-0.243	50	10	BBGE	
CCCCN(CCO)c1ccc(B(O)O)cn1	2217196046	BLFMYLBROSCOGY-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
OC[C@H]1[C@H]2C[C@H]1N(Cc1cccc(B(O)O)c1)C2	2220069166	YULCPOIVFWTZBC-WCFLWFBJSA-N	247.103	-0.821	50	10	BBGE	
CCN1CCC(Nc2cc(B(O)O)ccn2)CC1	2223679203	MOJRQCICBYVPHX-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
CC(CO)(CO)C(=O)N1CC=C(C#N)CC1	2242668973	NNYYIUUCPPTJEF-UHFFFAOYSA-N	224.260	-0.340	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2C[C@H]2CC1	2243349585	NLQRACQZFULXSM-MYJAWHEDSA-N	221.065	-0.303	50	10	BBGE	
CCCCN(C)C(=O)c1ccoc1B(O)O	2243349630	OBWZMUQZNGWXNB-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
O=C(NCCF)c1cccc(B(O)O)c1Cl	2243367656	WJEKQQUFMMMIKY-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
C#CCN(CC(C)C)C(=O)[C@H]1C[C@@H]1B(O)O	2243391120	GPUOOTIJQLWCHH-UWVGGRQHSA-N	223.081	-0.033	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)C1(B(O)O)CC1	2243409383	GZDQRKHYIDZYIR-BIIVOSGPSA-N	225.053	-0.856	50	10	BBGE	
CC[C@H]1COCCN1C(=O)C1(B(O)O)CC1	2243409683	MUMPCFQFSKVFKY-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C=C(CS(=O)(=O)NCC[C@@H](C)CC)B(O)O	2243434039	UBHPKGKHBBKPOK-QMMMGPOBSA-N	249.141	-0.090	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=CC1(C)C)B(O)O	2243434220	WAQOACNOAIXRQR-UHFFFAOYSA-N	245.109	-0.465	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cscc1B(O)O	2244144525	QWGUPFKXTUTCIR-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
COc1cc(C(=O)NN(C)C)cc(NN)n1	2246061746	RSVDKZNTALUPAX-UHFFFAOYSA-N	225.252	-0.418	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)CO	2247736818	ZFNYICAPVSSVNE-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1ccc(B(O)O)o1	2247744615	VOZZQAWPVFNTND-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccoc2B(O)O)[C@@H]1C	2247746562	ATILCSVLVOLTAI-SRSLHRDFSA-N	237.064	-0.409	50	10	BBGE	
CN(C[C@@]1(C)CCCCO1)C(=O)C#CB(O)O	2247747481	ODCJHPVDQSDZOK-LLVKDONJSA-N	239.080	-0.581	50	10	BBGE	
C[C@@]12CN(C(=O)C#CB(O)O)CC[C@@H]1C2(F)F	2247747611	PVZORHSWIFTMNV-IONNQARKSA-N	243.018	-0.495	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2247750748	NRWXKOLMEHIPIS-IUCAKERBSA-N	243.112	-0.095	50	10	BBGE	
CN1C[C@@H](NC(=O)C2(B(O)O)CC2)C(C)(C)C1	2247759054	YJBJJANZPPBUAY-MRVPVSSYSA-N	240.112	-0.550	50	10	BBGE	
C=C[C@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247800521	PUVQDGSMWRUCEV-QXEWZRGKSA-N	239.080	-0.611	50	10	BBGE	
CC[C@]1(CNC(=O)C#CB(O)O)CCCCN1	2247848729	PPGPLUZARQIYHN-LLVKDONJSA-N	238.096	-0.960	50	10	BBGE	
O=C(NCCCCF)c1ccncc1B(O)O	2247872568	UTXHDVQDXBRZLX-UHFFFAOYSA-N	240.043	-0.759	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1coc(B(O)O)c1	2247874316	QBRJMGYQAIVLCI-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NC1CC1	2247876291	MOGUQTOIGOQGFM-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CCC[C@H]1O	2247879618	WGNIBDDSAXSUCZ-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247886380	BDVPHOIKEWRBSO-BWZBUEFSSA-N	241.052	-0.987	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247892792	HYWWHZYASPBSPU-VZXKHLKZSA-N	241.096	-0.483	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](O)CC	2247896561	ZSANOUNXQXXXMA-QCLAVDOMSA-N	243.112	-0.095	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247899854	QSXHSEIERMRUSU-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2248574851	VJONESGMJSJLBH-RRQHEKLDSA-N	241.052	-0.685	50	10	BBGE	
CC(C)(C)[C@@](C)(NC(=O)C#CB(O)O)C(=O)O	2248589273	OEGFWSWGTSFHLD-JTQLQIEISA-N	241.052	-0.993	50	10	BBGE	
CN(C)CCCC(=O)N1CCC(B(O)O)CC1	2249342050	AJISVQSOQNTSGR-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249344097	WGALWZHJFCINEK-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
C#CC1(NC(=O)c2cocc2B(O)O)CCC1	2250673754	FQZJGJHCBPKLDO-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1coc(B(O)O)c1	2255444687	OELNDKBPWQHCAQ-SECBINFHSA-N	249.075	-0.121	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1O[C@H]2C=C[C@H]1CC2	2255465145	GGJGKHRIWOCJGQ-IUCAKERBSA-N	248.047	-0.831	50	10	BBGE	
N=c1ccc(NC(=O)c2ccc(B(O)O)o2)c[nH]1	2255466854	FOAXIPQUXUSIRN-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255565164	GSSLGXPPXXVLLD-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1ccncc1	2255679746	NHLHAJSBDNDAIZ-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ncncc1B(O)O	2255686339	PVUACTGRGNYMFQ-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)cn2CC)C1	2255737056	YTHLGBRPBIKXKH-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCc2n[nH]cc2C1	2255771823	XIVGTSNVSHUVNY-XWEPSHTISA-N	249.079	-0.453	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)ccc1O	2256015731	WYRSOHIVHSWILK-KRTXAFLBSA-N	249.075	-0.400	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC=CC[C@@H]21	2258123127	LHPJIGWJWDNTHG-KCJUWKMLSA-N	247.059	-0.250	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CC2)c1cc(B(O)O)c[nH]1	2260560129	YRYDJABROHIBQY-UFBFGSQYSA-N	248.091	-0.243	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2298374775	MCCLQECUSXOKAS-XGEHTFHBSA-N	241.096	-0.221	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC[C@H]1O	2298632254	PTGFXGKMWGXNRD-LOKLDPHHSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@H]2O	2300250847	KQRABAGIZLQFGB-SOYHJAILSA-N	239.080	-0.779	50	10	BBGE	
C[C@]12CO[C@](C(=O)N3CC[C@@H](B(O)O)C3)(C1)C2	2303108702	JSZBTEJOSSSIJY-IEBDPFPHSA-N	239.080	-0.369	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1n[nH]cc1B(O)O	2312849838	YMMKCNUAUKYYLE-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)c[nH]1	2312856857	VNVMXWHWIHUFFO-MRTMQBJTSA-N	248.091	-0.530	50	10	BBGE	
CC[C@H](O)C(=O)N1CCc2cccc(B(O)O)c21	2317545242	NVXLSWJHLBYBMB-JTQLQIEISA-N	249.075	-0.974	50	10	BBGE	
O=C(NCCCl)NNC(=O)NCCCl	4896696	NFIHKVBHHCVQIS-UHFFFAOYSA-N	243.094	-0.023	50	10	BBGE	
CN(C)CCNC(=O)NC(=O)CCl	36905971	UJXTVLMASXGWGH-UHFFFAOYSA-N	207.661	-0.387	50	10	BBGE	
O=C(CCl)n1nc2n(c1=O)CCCN2	39055699	VWLYXHMXGKJLCY-UHFFFAOYSA-N	216.628	-0.261	50	10	BBGE	
CCCN(CCN(C)C)[C@H](C)C(=O)NN	82471177	OFQVGGCNACXVIH-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C(=O)CCl	85088996	OTLZMYREGMIZMQ-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
CCOC(=O)NNC(=O)C1CC(=O)C1	154807680	FQNAIVOCSLDFHV-UHFFFAOYSA-N	200.194	-0.257	50	10	BBGE	
C[C@H](NC(=O)[C@H](N)C1CCCCC1)B(O)O	195924082	VLMDGYWBACIKHU-IONNQARKSA-N	228.101	-0.589	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)c([N+](=O)[O-])c1	196232390	LHWGGQBWIKYQTI-UHFFFAOYSA-N	223.981	-0.767	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)CCN1C	199376213	IAXDPJOYQMKKPF-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1c[nH]c2cc3c(cc12)OCO3	204443889	LXRRVIFCCYDDDF-UHFFFAOYSA-N	204.978	-0.424	50	10	BBGE	
Cn1cnn(Cc2ccc(C(=O)NN)cc2)c1=O	211757089	NSEQEFCTDLOUCT-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
C[C@H](CN1CC(=O)OC(=O)C1)[S@@](C)=O	228663802	YLKLIZHFSBYLQV-RWBAJPLHSA-N	219.262	-0.861	50	10	BBGE	
Cn1ccnc1CCOc1ccccc1B(O)O	228701159	ASGKFYPWVDYKQO-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
NC(=S)NNC(=O)c1cnn2ccncc12	231928209	ASUQPHUEQLNQTR-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
NC(=O)NN[C@@H]1c2ccccc2C[C@H]1O	238590982	UKDAZKJHJLBDJN-RKDXNWHRSA-N	207.233	-0.182	50	10	BBGE	
N#C[C@H](I)C(N)=O	238613758	SGSJADQYXFKCHF-REOHCLBHSA-N	209.974	-0.201	50	10	BBGE	
O=C(NCCCCl)NCCN1CCNCC1	242965841	HLPHBRZGOODRQZ-UHFFFAOYSA-N	248.758	-0.180	50	10	BBGE	
CCOC(=O)C1=NS(=O)(=O)C(C#N)=C1	260201798	PTHFIPGXHQAFBX-UHFFFAOYSA-N	214.202	-0.259	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)CSC	300000171	ZAVVPPBKKZMRAP-HTQZYQBOSA-N	235.353	-0.325	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)C[C@H]1OC	300043328	WIPFZWXRUWAYEE-IWSPIJDZSA-N	223.700	-0.068	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](CCO)C1	300228982	KGEPAOMEIVLHHU-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC1(C)CN(CC(=O)NN)CCCO1	307100428	TVHRGFMJBXRUFL-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)CCl	307168090	UELBDKGJZZQJLH-PHDIDXHHSA-N	240.712	-0.231	50	10	BBGE	
C[C@@H]1O[C@H](OCCCl)[C@H](O)[C@@H](O)[C@@H]1O	307576819	NVKRALSJYXPFIY-YMVPXFTJSA-N	226.656	-0.931	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1CCC(=O)NN	307613174	LJHHLNVBYMFBLG-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CN(C)CC(=O)NN=Cc1ccc(N)nc1	309284092	ODVMHXZMYQTXHK-UHFFFAOYSA-N	221.264	-0.325	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](C)[C@@H]1C	380351032	YXHGGCPBCALAFN-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
NC(=O)NN=C1C=CC(=NNC(N)=S)C=C1	381110348	ZSSOGOCMVRKTKT-UHFFFAOYSA-N	238.276	-0.674	50	10	BBGE	in-vitro
COC(=O)/C=C(/N/C=C/C#N)C(=O)OC	383919953	JAVCLDSZUCYJOR-TWTPFVCWSA-N	210.189	-0.157	50	10	BBGE	
O=CCCc1ccc(B(O)O)c(CC(=O)O)c1	396133132	OUKAOQDSSIBWRC-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
C[C@@]1(C(=O)Nc2cc(B(O)O)ccn2)C[C@@H]1F	404979314	MLLLRRUOTIVFCH-OIBJUYFYSA-N	238.027	-0.552	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2CCCO2)c(B(O)O)c1	405008256	RELFBJGLWHPRPQ-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)cc1C	405069024	AAFSKRGMYHBQIJ-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
C[C@H]1N(CCC(=O)NN)CCOC1(C)C	687846922	RFOONAVZVOMRLV-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](C#N)C1	693907652	OHWDMDJVJIABCQ-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
COc1ccccc1Cn1ccc(B(O)O)n1	694311140	WYPZJNZYDLNMHV-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@@H]3C[C@H]3C2)c1	694562604	HZZBAOMXHMMIPS-OPRDCNLKSA-N	220.081	-0.001	50	10	BBGE	
Cn1nnnc1Cn1cc(CCl)nn1	697796763	ACSNWJNOTKAOKJ-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
CN1CCN(C(=O)OCCl)[C@@H](CO)C1	699491370	RASDVZXJUASPDT-SSDOTTSWSA-N	222.672	-0.072	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@H](C(=O)O)C1	700419525	LUOJPIUHEIXDCY-SSDOTTSWSA-N	231.252	-0.794	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)C1CCC1	700866433	SYZWBQHIXTUTMN-ZCFIWIBFSA-N	217.294	-0.334	50	10	BBGE	
C[C@@]1(C(=O)NCB(O)O)CCCS1	702021753	DAAONXCTUYQVHE-ZETCQYMHSA-N	203.072	-0.600	50	10	BBGE	
O=C1CC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CN1	703436344	OEJDHNFYAHHYFL-FXQIFTODSA-N	238.243	-0.819	50	10	BBGE	
CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)CCl	703525256	YNVZVRVOLFRLAN-OLQVQODUSA-N	240.712	-0.292	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721777650	MUZYHSYNWDNXOO-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN2CCC1CC2	722806338	LOANSXXHSRALGQ-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@@H](C)C(=O)NN	724142921	WBASAGUREOXABI-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C1=CC[N]S1	725711519	BXCHUFYRTJAFSH-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)sn1	885824772	HOVGPQIGFDAWFD-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(C)[C@H](C)CO	911444680	HKIKTWYGSSSPBM-SSDOTTSWSA-N	226.280	-0.071	50	10	BBGE	
C[C@H](NNC(=O)CC(N)=O)C(F)(F)F	1118945126	ZJGJUXGDRBUCCQ-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@H]1COCCO1	1136333683	LUDOAZWNMCVCJA-RNKPRXRFSA-N	240.259	-0.038	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NNC(=O)N(C)C	1136447882	MBGBSVLOCQWHFB-VOTSOKGWSA-N	226.236	-0.267	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C(N)=O)c[nH]1	1142343026	VDSWMFPIQQEXMI-UHFFFAOYSA-N	239.235	-0.923	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@H]1C	1261100303	MZBFJPBOJAPUMB-RITPCOANSA-N	229.236	-0.712	50	10	BBGE	
CC#CCNC(=O)c1cccc(B(O)O)c1	1295809836	ZQZROFASYQCTIW-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc(NC)cn1	1331325404	NAPOAXHVDKFADC-UHFFFAOYSA-N	224.224	-0.908	50	10	BBGE	
CCC[C@@H](OC)C(=O)NN(C)C(N)=O	1446343484	WZWBNDWHQCLQGP-ZCFIWIBFSA-N	203.242	-0.157	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNc1cccnn1	1631347302	PYNLGMXQZWXWFB-DUXPYHPUSA-N	245.246	-0.232	50	10	BBGE	
Cn1nc(C(=O)NN)cc1Br	1772509075	XUEUYHULYOSDCT-UHFFFAOYSA-N	219.042	-0.214	50	10	BBGE	
NC(=O)C1(N)CN(C[C@@H]2C[C@@H]2Br)C1	1877427016	SFVIQBZKXZJWMB-WDSKDSINSA-N	248.124	-0.732	50	10	BBGE	
O=C(NC[C@H](O)CO)[C@H]1C[C@@H]1Br	1881354088	SLUIBFJRBJYPPR-ZLUOBGJFSA-N	238.081	-0.761	50	10	BBGE	
O=C1COCC(=O)N1C[C@H]1C[C@H]1Cl	1883563261	JQIKBRZPQBURNX-PHDIDXHHSA-N	203.625	-0.001	50	10	BBGE	
O=C1CC2(CN1)CN(C[C@H](O)CCl)C2	1884793615	XCUCPNJKSCQBLO-SSDOTTSWSA-N	218.684	-0.592	50	10	BBGE	
C[C@@H](OC1CC2(COC2)C1)C(=O)NN	1885765596	RAUNIOZRHHXZOL-ZCFIWIBFSA-N	200.238	-0.440	50	10	BBGE	
O=C(NOCCCl)c1ncc[nH]c1=O	1888308470	STPVDIOQCNFVEM-UHFFFAOYSA-N	217.612	-0.330	50	10	BBGE	
CC(C)=CC(=O)NN(C)S(C)(=O)=O	1888562136	PPVILXGZAOJZBO-UHFFFAOYSA-N	206.267	-0.125	50	10	BBGE	
CNCCCS[C@@H](COC)C(=O)NN	1891089770	LMHCTYVYXMACTO-ZETCQYMHSA-N	221.326	-0.666	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CSC1	1892436999	ZQNISBAFKFALHW-UHFFFAOYSA-N	217.294	-0.799	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@@H]1CNCCO1	1893107872	OXFCHJDUHANNQA-PRJMDXOYSA-N	218.684	-0.282	50	10	BBGE	
O=C(N[C@@H]1CNCC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893460205	CEANUULWJKDVKA-CWKFCGSDSA-N	218.684	-0.547	50	10	BBGE	
CCCS(=O)(=O)N(C)[C@H](C)CC(=O)NN	1893853536	BFQGLJHKCVCBHV-SSDOTTSWSA-N	237.325	-0.574	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)N1CC[C@H](O)C1	1894569911	ACGUWHRLMYRGSO-RQJHMYQMSA-N	242.728	-0.485	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)/C=C/C(=O)Cl)C[C@@H]1O	1897226937	MZSSRIBSTSIATI-HRDOHYJMSA-N	247.678	-0.038	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1CNCCOC1	1898993910	GZILXCRPYVITKK-MRVPVSSYSA-N	201.270	-0.795	50	10	BBGE	
CO[C@H](C)CCSc1ncc(B(O)O)cn1	1900316309	CRDYFQWVANRKSX-SSDOTTSWSA-N	242.109	-0.327	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COC2(C)CC1C2	1900578629	XGJXGEOHVHIUPU-INWMGODYSA-N	227.308	-0.277	50	10	BBGE	
C=C1CN(c2ccc(B(O)O)cc2C#N)C1	1901206412	YSCAOXOZUWZCAX-UHFFFAOYSA-N	214.033	-0.386	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1NCC1(C)C	1901374362	ULWZHXNPFKGWPT-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([N+](=O)[O-])C1	1901763469	LRJNHGCFNGCGKH-ZETCQYMHSA-N	230.268	-0.504	50	10	BBGE	
C[C@@H](C#N)OCCN1CC[C@@](C)(B(O)O)C1	1902513024	OXLLGFLWCZXDER-VHSXEESVSA-N	226.085	-0.146	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@H]2CNC(=O)O2)C1	1902518919	ZEWXIOUCHRCQQO-VXNVDRBHSA-N	228.057	-0.966	50	10	BBGE	
Cc1ccnnc1CN1CC[C@@H](B(O)O)C1	1902550232	ICPRUICUSCRJQB-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C1(C)C)C(=O)NN	1902705372	DDBXNCMFNCGNQP-GZMMTYOYSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CCSC3)(C1)C2	1902746976	SFPQESPLDXCFJR-MGCOHNPYSA-N	243.332	-0.468	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	1903011150	XLZXCQJIPYTTKV-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
CO[C@H]1COCCN([C@@H](C)CC(=O)NN)C1	1904642800	NZPCTPFHRJPTPF-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(C)N1CCCN(CC(=O)NN)C1=O	1905327084	FECZCMYFIOSHKE-UHFFFAOYSA-N	228.296	-0.098	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@]12CCC[C@@H]1C2	1905975694	BHECDLGDMKVPQZ-MATHAZKKSA-N	241.052	-0.781	50	10	BBGE	
C[C@]1(F)CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1908718484	GUFHBJXRPONLRA-NGZCFLSTSA-N	245.298	-0.042	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911288907	QGTBEUBNBGEXNW-LNFKQOIKSA-N	241.335	-0.295	50	10	BBGE	
O=C(CCC(F)F)Nc1ncccc1B(O)O	1913634099	JDMPWWLCBNWLEG-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCOC2)C1	1915582464	HIEZETPOKAWDRS-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)C1COC1	1915659113	UWCAKBCLFQEKEL-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]2(CCC[C@@H]2O)C1	1918421654	RFHYJRSNKKFSKB-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC(C)(C)CO	1931081046	UUKZGOIREYMTHA-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
CN1CCC[C@H](CC(=O)NNC(N)=O)C1	1931359820	JYGNBLIKVCBLBZ-SSDOTTSWSA-N	214.269	-0.582	50	10	BBGE	
CC[S@@](=O)N(C)Cc1sccc1B(O)O	1935214041	LMUGEBPCPXSRJC-OAHLLOKOSA-N	247.150	-0.457	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@]2(CCOC2)C1	1941085439	LYPAXOOENRWAKV-CKYFFXLPSA-N	239.319	-0.275	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1CCOCC(=O)NN	1941784320	NHKJRFQAJILZHP-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944740186	ABOWJCSJXCWTCI-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
C[C@]1(O)CON(Cc2cc(C(=O)NN)co2)C1	1944780225	UIIOHAXZSWEGHA-SNVBAGLBSA-N	241.247	-0.619	50	10	BBGE	
COc1ncnc(N(C)C)c1C[C@H](O)C#N	1953000393	MAJQQYVDXWWVLU-ZETCQYMHSA-N	222.248	-0.022	50	10	BBGE	
CC[C@H](Cl)C(=O)NCC(=O)NCCOC	1958796668	CRLUEFTZLXRXJE-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
O=C1C[C@@]2(CCN(C[C@@H](O)CCl)C2)CN1	1960156976	ZDKQZGKWLRQKSS-WPRPVWTQSA-N	232.711	-0.202	50	10	BBGE	
CN(CC(=O)NN)Cc1c(Cl)cnn1C	1960924898	QGCXGXGWALLPRG-UHFFFAOYSA-N	231.687	-0.505	50	10	BBGE	
OB(O)c1cncnc1Sc1ncns1	1961722510	HQLQUBKBPPYMMU-UHFFFAOYSA-N	240.078	-0.841	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	1974556748	LEZRWYJLDACIEF-BIIVOSGPSA-N	219.260	-0.983	50	10	BBGE	
CC(F)(F)Cn1cccc(B(O)O)c1=O	1975100928	KYSOUHVXYXBWRQ-UHFFFAOYSA-N	216.980	-0.817	50	10	BBGE	
COCCO[C@H]1CCCN(CC(=O)NN)C1	1976105033	ZJUGGJJTRNVHBI-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CCCOCC1CN(C[C@H](C)C(=O)NN)C1	1979181506	SILGNDXZPTZUHF-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1	1980817098	RQYKAHHMTJHAHT-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
CON(CC(C)C)c1ncncc1B(O)O	1981411147	HRMSRKMWXJXAQA-UHFFFAOYSA-N	225.057	-0.820	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCCO[C@H]32)CC(=O)O1	1983227680	RVWIPOKOADRVJI-VAOFZXAKSA-N	225.244	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C=CS(=O)(=O)C=C1	1983342620	WDBPRPJDAIZBHA-HTQZYQBOSA-N	243.288	-0.715	50	10	BBGE	
COc1ccncc1CN(C)CC(=O)NN	1983710898	JQIVRBAOKNMTOC-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
O[C@@H]1[C@H]2C[C@H](CN(CCOCCCl)C2)[C@H]1O	1985763273	TZQRPLBSQIFRRP-LMLFDSFASA-N	249.738	-0.085	50	10	BBGE	
C[C@@H](O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	1986221646	QVEDJHFYYRBWJG-PRJMDXOYSA-N	225.252	-0.623	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CC[C@@](C)(C1)OC2	1988669494	REMZAJNOAORECA-WDEREUQCSA-N	227.308	-0.133	50	10	BBGE	
COCCCC(=O)N[C@@H]1CCC=C1B(O)O	1991326649	JBHQTBLAFBKMCN-SECBINFHSA-N	227.069	-0.370	50	10	BBGE	
CC[C@H]1OCC[C@H]1C(=O)NCC=CB(O)O	1991327543	QXGHPBUVJWQINP-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CCC1)C(=O)C(=O)NN	1992947465	NGVFJHXTYKCCLU-DTWKUNHWSA-N	225.292	-0.129	50	10	BBGE	
CN(Cc1ccno1)C[C@H]1C[C@H]1C(=O)NN	1993849092	UYUHTMZTNVTETE-VXNVDRBHSA-N	224.264	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@]1(C)CCO	1994707192	MUQAVOPCRIEWBW-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)C[C@@H]1CC(=O)N[C@H](CB(O)O)C(=O)O	1998135936	VJOMJGDSWQMZIP-NKWVEPMBSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(CC2(C(=O)NN)CC2)C1	2001934706	WRMPXGLELARJCW-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCC[C@@H]1N(C)c1ncc(B(O)O)cn1	2004915936	FWGNOOSUNVRBBP-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)c2ccc(B(O)O)cn2)CO1	2004916488	MATOOZGXGAYCQA-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
CN(Cc1cncs1)c1ccncc1B(O)O	2004929823	OCAHLPZNTCPBIF-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC2(C)C)ncc1B(O)O	2004971099	MECPMVGPJRALAB-SECBINFHSA-N	235.096	-0.300	50	10	BBGE	
Cc1ncnc(Sc2cccnn2)c1B(O)O	2005004336	DUYYWDJHXNKFNS-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
Cc1nc(Sc2ccncn2)ncc1B(O)O	2005008289	VMTWZNUYDNUZTM-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CC1	2011348393	MLBVJERKAUSQEP-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@@H]1C1CC1	2014008153	XBPXCGAPORAXPE-ZNSHCXBVSA-N	239.319	-0.542	50	10	BBGE	
CN(CCOCC(=O)NN)CC12CC(CO1)C2	2017765927	NVRHNGNENCOHTK-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
CCc1cccnc1Cn1cc(B(O)O)cn1	2017890606	OPNUVVVMKQVKPH-UHFFFAOYSA-N	231.064	-0.431	50	10	BBGE	
COC1CN(C[C@H]2CCC[C@@H](C(=O)NN)O2)C1	2018242193	DIGJKPSLVCMVDQ-SCZZXKLOSA-N	243.307	-0.755	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](OC)C1	2025520430	FTNRLNUSTRRXLM-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
CC#CCCC(=O)Nc1ncccc1B(O)O	2026531309	MFZJBVDXQPRVKO-UHFFFAOYSA-N	232.048	-0.497	50	10	BBGE	
Cn1cnc2c1CCN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2050967302	NWYMLBUIGLWHLP-IUCAKERBSA-N	249.318	-0.596	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@]23CC[C@@H]3N)CC1	2052403551	QTHALZLRFPWCCR-OUJBWJOFSA-N	249.314	-0.009	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2052494596	OBOPCLDPDURVEO-KNDBQHFLSA-N	244.103	-0.148	50	10	BBGE	
CN(C)[C@@]1(C)CCN(c2ncccc2B(O)O)C1	2052499654	WXYNNYQTGVDVHU-LBPRGKRZSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncnc(N2CCC3(CC2)CC3)c1B(O)O	2052558757	GAGZGGHIYDDSOU-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
CCOc1c(C#N)cc(B(O)O)cc1C=O	2060187929	XETOQVZETDSCKH-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCc1cc(C#N)cc(B(O)O)c1[N+](=O)[O-]	2060283697	NJTCPJLRYJIMJX-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
OB(O)c1ccccc1COCc1cnccn1	2080333160	RDIGAGTZVDFXOO-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
OB(O)c1cnc(OCC2CC=CC2)nc1	2212607924	OKEFHKQWLIRBQZ-UHFFFAOYSA-N	220.037	-0.499	50	10	BBGE	
C=CC[C@H](N)COc1ccc(B(O)O)cn1	2212607994	FRCWUBRWROXMMG-VIFPVBQESA-N	222.053	-0.956	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2CO3)cc1B(O)O	2217179787	OKCVPQBQNGWXFN-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
C#C[C@@H]1CCCN1c1nccc(B(O)O)c1F	2217180661	JAMVYVMJNJNRDU-MRVPVSSYSA-N	234.039	-0.498	50	10	BBGE	
CN[C@@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217184104	MQPUVEPLFUNTCB-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1C[C@H](COc2cc(B(O)O)ccn2)CN1	2217192135	WCFFHPXUISBGBA-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(n2ccnc2)C1	2221570501	BEDBYVCSROKQCW-ONGXEEELSA-N	249.318	-0.244	50	10	BBGE	
C[C@]1(C2CC2)CCCN1c1ncncc1B(O)O	2222748498	NDDXDHQTZNTLAM-GFCCVEGCSA-N	247.107	-0.075	50	10	BBGE	
C[C@@H]1CCCN(c2cc(B(O)O)ccn2)[C@H]1CN	2223635350	WBPQNPAMKJUPIL-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N[C@@H]2CNC[C@@H](C)C2)cc1B(O)O	2223646919	QXWNVBXQYSDMQL-WPRPVWTQSA-N	249.123	-0.520	50	10	BBGE	
CC1(C)NCC[C@H]1CNc1ncccc1B(O)O	2223672103	DBCXKOKPCPFDDB-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2223676374	AHAIVBPKMQHBLI-ONGXEEELSA-N	249.123	-0.533	50	10	BBGE	
C=C[C@@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241353562	IZYWRGBWFOSWSR-ZETCQYMHSA-N	240.712	-0.709	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@H]1[C@H](O)CO	2241811346	OHHZCXDLTHZMFS-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
OB(O)c1cc(OCCF)ncc1Cl	2242392120	QXQFDQPAQUWUBL-UHFFFAOYSA-N	219.408	-0.237	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1COC(=O)C1	2242587560	PEMJAXALLTYURX-RXMQYKEDSA-N	217.608	-0.260	50	10	BBGE	
CCS[C@H]1CCC[C@H]1NC(=O)C#CB(O)O	2243349155	GYMSGJPIEHWNSS-BDAKNGLRSA-N	241.121	-0.208	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1csc(B(O)O)c1	2243356859	NVTYZEVQOUDJFJ-MRVPVSSYSA-N	237.089	-0.124	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1C(=O)C#CB(O)O	2243362073	LOQMJYIZAHLHFR-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
CO[C@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2243362798	WQXXKSJSDOQXNR-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
NC[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2243366211	YTLICUBYLRVWBD-HTQZYQBOSA-N	226.085	-0.763	50	10	BBGE	
CC1(C)[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2243391231	ICSZWHMABKBVLE-KAVNDROISA-N	227.069	-0.779	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396467	MNIXHFNOYMKKAL-MAUMQABQSA-N	227.069	-0.779	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@H](CF)CC1	2243401724	VZLQFSHKAFGRDP-DTORHVGOSA-N	227.044	-0.354	50	10	BBGE	
O=C(N1CC=CC[C@H]1CO)C1(B(O)O)CC1	2243408515	OQSWRELEQHLLJK-QMMMGPOBSA-N	225.053	-0.857	50	10	BBGE	
CN(Cc1cnco1)C(=O)C1(B(O)O)CC1	2243409151	BYMDJENXZFZOEW-UHFFFAOYSA-N	224.025	-0.360	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1nscc1B(O)O	2243409866	QERHHZIYUNCEBV-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CC(C)[C@@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243418028	ZFSXIOWEKRNPGJ-HRDYMLBCSA-N	228.101	-0.661	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1ccoc1B(O)O	2244006266	ABMBGVWKIOTSMJ-IZLXSQMJSA-N	243.455	-0.541	50	10	BBGE	
N[C@H]1CC[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913018	KSLDFHJXCNKJLI-JGVFFNPUSA-N	241.487	-0.684	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H](C)[C@@H]2C)n1	2247140532	CELMPVLRRCFVKS-YUMQZZPRSA-N	236.080	-0.385	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1ccc(B(O)O)o1	2247739954	DILSXARJSBNWAE-RNFRBKRXSA-N	241.027	-0.420	50	10	BBGE	
COC(C)(C)CNC(=O)c1ccoc1B(O)O	2247744636	VTQZETDYMFBZPI-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)cc1F	2247751938	FSVLHQPWSRNXST-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
C=C(F)CNC(=O)c1cccc(B(O)O)c1C	2247752353	NRJZYQUQGIRUMY-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
Cc1nccn1CCNC(=O)C1(B(O)O)CC1	2247754817	HTBCUKDKEWFOTQ-UHFFFAOYSA-N	237.068	-0.685	50	10	BBGE	
O=C(NCCn1cccn1)[C@H]1C[C@@H](B(O)O)C1	2247786221	XVCDKZZEXDVGIZ-DTORHVGOSA-N	237.068	-0.748	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792029	QBFAMSFKKLOKBW-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2[C@H](O)C[C@H]21	2247805966	LORGAKNQCJPRBN-RXKWGBCNSA-N	239.080	-0.779	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ccc(B(O)O)o1	2247850688	RNODJDKZRUKGSA-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850763	SKYCBDBJGUDBBA-XVKPBYJWSA-N	236.080	-0.435	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247872431	RRPGDUJKPNVIOK-VIFPVBQESA-N	237.064	-0.026	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1C(=O)C1(B(O)O)CCC1	2247877277	FJQNFNJIEVSACZ-YUMQZZPRSA-N	237.064	-0.079	50	10	BBGE	
N[C@@H]1[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247896774	KDKNOIGZLVRQID-RXKWGBCNSA-N	238.096	-0.813	50	10	BBGE	
O=C(NC[C@@H]1CCN1C1CC1)[C@H]1C[C@H]1B(O)O	2247899973	RWQTVCACLFCLLI-LPEHRKFASA-N	238.096	-0.798	50	10	BBGE	
CC(C)(C)[C@H](CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247900093	SWZHDPUHHONWCM-XHNCKOQMSA-N	243.112	-0.380	50	10	BBGE	
N[C@H]1C[C@](F)(CNC(=O)C2CC(B(O)O)C2)C1	2247902044	BTBDCGOHMYGHEL-NOQYVYMASA-N	244.075	-0.815	50	10	BBGE	
CC[C@H](C)C[C@@H](NC(=O)C#CB(O)O)C(=O)O	2248586759	GMMFLJFITNHDJO-JGVFFNPUSA-N	241.052	-0.993	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ncccc1B(O)O	2249301587	PUPINJWCWIVGLA-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
Cc1nc(NC(=O)c2coc(B(O)O)c2)[nH]c1C	2255458989	ZJQGFPNJKVRZHC-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)cc1[N+](=O)[O-]	2255469394	ONYFBPLVOBUTIJ-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1occc1B(O)O	2255488841	KPMWECNHZXNNMA-IONNQARKSA-N	248.047	-0.619	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(F)ccc1B(O)O	2255505999	NRCAXGCYKACVEO-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1c(F)cccc1B(O)O	2255512102	UWWKVOGDSFAICV-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@H]32)ccc1B(O)O	2255513729	WUFGUPMMTZRSFB-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCCC12CCC2	2255554926	UCRSDYQFKMBRBE-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)ncn1	2255570729	IPQDXFJBMZJPDH-VHSXEESVSA-N	249.079	-0.394	50	10	BBGE	
CCn1cc(B(O)O)c(C(=O)N[C@H]2C=CCC2)n1	2255572708	ATJSASCWTAGBRS-QMMMGPOBSA-N	249.079	-0.969	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccncc2B(O)O)[C@H]1C	2255690804	HTDBURIZLKTNKP-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
Cn1cnc2c1CN(C(=O)C1(B(O)O)CC1)CC2	2255691627	GBTIGTJDGHATAZ-UHFFFAOYSA-N	249.079	-0.688	50	10	BBGE	
Cc1c(NC(=O)c2occc2B(O)O)cnn1C	2255693801	UOOPSJSWBVTNBP-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1F	2255719204	DPXRIURBXWUVTE-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]2CC[C@@H]21	2255726579	VXZMHOQEBLJZRI-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
C=CC1CC(NC(=O)c2cc(B(O)O)oc2C)C1	2255741567	NGUFZBDTCWYRTP-UHFFFAOYSA-N	249.075	-0.038	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@H]2C[C@@H]2C)c1B(O)O	2255785242	KIBIWJJWQWCBAC-DTWKUNHWSA-N	248.091	-0.544	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1cc(B(O)O)c[nH]1	2257039930	AZDGZJRRSUWJBT-IONNQARKSA-N	248.091	-0.435	50	10	BBGE	
C=CCNC(=O)NCc1ccc(C)c(B(O)O)c1	2264096679	VTPRCVGNCUDDBR-UHFFFAOYSA-N	248.091	-0.340	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298369770	FEVVXKFJWAWXRO-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]2[C@H]1CO	2298370294	VBJHVBNWDPIFAN-JNORSNDXSA-N	239.080	-0.921	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298371160	BESDLIBHNNFRQD-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@@H]1B(O)O	2298375599	RTHWQQORZAKWPR-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
O=Cc1ccc(N2CC[C@H]2CF)cc1B(O)O	2301453089	PVRMGLHNTXWJHX-JTQLQIEISA-N	237.039	-0.273	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2CC(=O)NNC(C)=O	2302212480	AIPCPGPZIPLULP-IVZWLZJFSA-N	241.291	-0.737	50	10	BBGE	
CC[C@@](C)(CN1CC([C@H](F)CO)C1)C(=O)NN	2303410731	PBWSBYHXUQSACE-KOLCDFICSA-N	247.314	-0.345	50	10	BBGE	
CC[C@](C)(CN(C)[C@H](C)CC(N)=O)C(=O)NN	2303426026	JYGHMPNXFXTQES-LDYMZIIASA-N	244.339	-0.412	50	10	BBGE	
C[C@@H]1COCCN1c1cc(B(O)O)c(F)cn1	2303835196	SFERPEQMNRYVHH-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1cc(=NCC=CC2CC2)[nH]cc1F	2303847266	GJRZOBDRWUMDAK-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
N#CC1=CCN([C@@]2(C(=O)O)COC[C@H]2N)CC1	2305250607	JTGPIQOJKHPEGS-KOLCDFICSA-N	237.259	-0.677	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317161927	GTLLLELBJIEEOP-KWQFWETISA-N	246.075	-0.633	50	10	BBGE	
C=C(CO)CCNc1ccc(C=O)c(B(O)O)c1	2317312002	ZHPFNDYMWWXCRI-UHFFFAOYSA-N	249.075	-0.471	50	10	BBGE	
CC(=O)NNC(=O)CSc1ccc(N)nc1	37192136	QRCUBSPEADCVCA-UHFFFAOYSA-N	240.288	-0.077	50	10	BBGE	
NNC(=O)[C@H]1CC(=O)N(C[C@H]2CCCO2)C1	66055518	ZEUWVSVVLFHIQY-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)C1CC1	82470834	OCQWSBXMEWZSRD-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
COC[C@@H](O)CN(C)C(=O)CBr	82510984	SOOCZJNUMGJHSR-LURJTMIESA-N	240.097	-0.153	50	10	BBGE	
O=C(CCl)NC[C@@H]1CCCS1(=O)=O	87970640	IFHNLWDALYAUBX-LURJTMIESA-N	225.697	-0.081	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)C(C)(C)C	157727337	CUFFTPWTCVBNBB-LURJTMIESA-N	201.270	-0.225	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)NCN=C=O	170294342	VERVTGVOSQIZGQ-SSDOTTSWSA-N	227.220	-0.373	50	10	BBGE	
COc1cccc(C(=O)NNC(=O)CO)c1F	182751078	HOOAWQGZNXZRIJ-UHFFFAOYSA-N	242.206	-0.412	50	10	BBGE	
CCOC(=O)Cc1ccccc1B(O)O	198738417	HDVFVRCKXWHKAD-UHFFFAOYSA-N	208.022	-0.528	50	10	BBGE	
COC[C@H](O[C@H](C)COC)C(=O)NN	232418417	UOTGZKWSXCNENR-RQJHMYQMSA-N	206.242	-0.957	50	10	BBGE	
CCN(C[C@H](C)C#N)[C@@H](COC)C(=O)NN	232419974	MWHYLAAZFKQDTG-BDAKNGLRSA-N	228.296	-0.527	50	10	BBGE	
C[C@@]1(O)CCN(Cc2cc(C(=O)NN)no2)C1	235460194	WIOLQFOZQHKIIF-SNVBAGLBSA-N	240.263	-0.765	50	10	BBGE	
Cc1nnc(N)n(NCCCl)c1=O	238520596	JWGDNEUCRHVOLG-UHFFFAOYSA-N	203.633	-0.689	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCCC[C@@H]1O	252929617	SMQOUZBHUPUOOZ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
COCCN(C)NC(=O)c1ccnnc1	293522203	DBQNIUYZDNSSIG-UHFFFAOYSA-N	210.237	-0.300	50	10	BBGE	
O=C1NOC[C@@H]1n1cnnc1CCl	307327752	JQGHJRCDSHZKQL-BYPYZUCNSA-N	202.601	-0.381	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CS(=O)(=O)C1	307404983	CPDVPVFPGZIZIE-BYPYZUCNSA-N	211.670	-0.473	50	10	BBGE	
Cl[C@@H]1COC[C@H]1Nc1cncc2nnnn12	323162774	JOGCVWDHWUGVST-PHDIDXHHSA-N	240.654	-0.063	50	10	BBGE	
CC(=O)Nc1ccc(C(C)=O)cc1B(O)O	390436514	JOVVVYJXLHBHIW-UHFFFAOYSA-N	221.021	-0.473	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)n1cc(C(N)=O)cn1	395581165	WPNDBEZFKHVAMS-SSDOTTSWSA-N	239.279	-0.441	50	10	BBGE	
CC1(C)C[C@@H](O)CCN(CC(=O)NN)C1	395773165	IJAURSHZSQGQTP-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CCOC(=O)CCc1c(O)cccc1B(O)O	396063317	VQFWADVAQKSKIB-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
CCOc1cccc(B(O)O)c1CC(C)=O	396077708	NOLDORXKAQCMFQ-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
CC(=O)Cc1c(CC(=O)O)cccc1B(O)O	396138350	PHILYWFNIHYSTK-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
Nc1ccc2sc(C=O)cc2c1B(O)O	396259273	RXPQSIRQRQQWJA-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1CCOC1	398860676	XOQFYZWPOVOXMQ-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(OC(F)F)C1	399929423	NVWPASLKFIBMSW-RXMQYKEDSA-N	223.223	-0.322	50	10	BBGE	
CO[C@@H](COc1cncc(B(O)O)c1)C1CC1	400117301	JIKKYEGLABCUGN-NSHDSACASA-N	237.064	-0.435	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H](C)C1O	688123089	UMNSLBGAMVTHKS-RKDXNWHRSA-N	243.351	-0.049	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)CC(=O)O)CC1	692168842	YYBNZMLBNDQYEC-QMMMGPOBSA-N	228.248	-0.828	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(C)CC1	693813831	LEJHVYNIIVEYRR-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](Nc1nc(N)nc(CCl)n1)[C@H](O)CO	698945339	VUTOLEQSYAFTRM-CRCLSJGQSA-N	247.686	-0.654	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708052441	XOXHSEIXHWHOAT-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1C[C@H](C(=O)O)CO1	714058650	FRAVDZCIZIPEEK-BQBZGAKWSA-N	231.252	-0.748	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)OCC	854163887	KPMINFCLCJCJGN-QMMMGPOBSA-N	202.210	-0.299	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H]1COC21CCC1)C(N)=O	935177035	JQRNGHWREGEDFB-CPCISQLKSA-N	239.275	-0.013	50	10	BBGE	
O=C1NCCC[C@@H]1C(=O)NN=Cc1ccc[nH]1	1084384415	JWAVIWOASRKGON-VIFPVBQESA-N	234.259	-0.009	50	10	BBGE	
CN(NC(=O)COc1ccsn1)C(N)=O	1137625840	SWCSXXGAYQIQAJ-UHFFFAOYSA-N	230.249	-0.436	50	10	BBGE	
NC(=O)NN=CC1CCS(=O)(=O)CC1	1327658945	RCPVDAOXBQHIQC-UHFFFAOYSA-N	219.266	-0.535	50	10	BBGE	
CC(=O)NNC(=O)c1c(C)nc(N)nc1C	1540576251	FPZCHEYCWTXIKE-UHFFFAOYSA-N	223.236	-0.543	50	10	BBGE	
O=C(Nc1nncs1)c1cccc(B(O)O)c1	1544626168	BHZSONSPUPCVCN-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCNC(=O)NNC(=O)c1nnc(C2CC2)o1	1597671672	CJVVMPMDACPALL-UHFFFAOYSA-N	239.235	-0.089	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(N)ccn1	1625506263	ACPXQDVBFHVNGN-UHFFFAOYSA-N	209.209	-0.762	50	10	BBGE	
C[C@@H](CCl)NC(=O)Cn1cnnn1	1881856261	PJFZBHMYPXEIED-YFKPBYRVSA-N	203.633	-0.583	50	10	BBGE	
COCCOCC(=O)NOCCCl	1883010060	ITHRDJRLXUVBDX-UHFFFAOYSA-N	211.645	-0.064	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NC[C@@H]1C[C@H]1Cl	1883550913	HJJSCWQMXSSOAS-YTLHQDLWSA-N	206.673	-0.562	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC[C@@H]2C[C@@H]2Cl)C1	1883555520	XSYRLSGSQAZFEB-JBDRJPRFSA-N	204.701	-0.122	50	10	BBGE	
CCn1nnc(CNC(=O)CCl)n1	1883719141	AKGWQTPEUNFRRZ-UHFFFAOYSA-N	203.633	-0.452	50	10	BBGE	
C[C@H](CS[C@@H]1CC[C@@H]1N)C(=O)NN	1887479442	SLEFSUSPYVMHCM-DSYKOEDSSA-N	203.311	-0.165	50	10	BBGE	
CO[C@H](CN)CNC(=O)[C@@H]1C[C@H]1Cl	1888749060	RQMHEUINJCUHBA-FSDSQADBSA-N	206.673	-0.296	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N(CCO)CCCO	1893446995	TYFJJQCMFIDVMW-YUMQZZPRSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1894244069	PXHSUWNTNQTPDH-HTRCEHHLSA-N	220.037	-0.644	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCNC1=O	1900535794	WQWHFCAEUIXMCU-JGVFFNPUSA-N	226.280	-0.582	50	10	BBGE	
CCN(CCN=[N+]=[N-])CC(=O)NNC(C)=O	1900606730	GUPIIOVOIXTEQO-UHFFFAOYSA-N	228.256	-0.214	50	10	BBGE	
CN(C[C@H]1COC2(CCC2)CO1)C(=O)NN	1900867491	XOYAIRWKSBSSEN-QMMMGPOBSA-N	229.280	-0.160	50	10	BBGE	
COC[C@@H](C)C(=O)N1CC[C@@](C)(B(O)O)C1	1902518006	NWWPLCYCTZNQBC-PSASIEDQSA-N	229.085	-0.266	50	10	BBGE	
OB(O)c1cc(=NCC=C(F)F)[nH]cc1F	1903009132	DHQCUQGOMLRNCH-UHFFFAOYSA-N	231.970	-0.485	50	10	BBGE	
CO[C@H]1COCCN([C@H](C)CC(=O)NN)C1	1904642802	NZPCTPFHRJPTPF-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CS[C@@H]1CC[C@H]1Oc1ncc(B(O)O)cn1	1904989256	SZOGQXZNTITITL-HTQZYQBOSA-N	240.093	-0.571	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@@H]1CC[C@H](C(=O)NN)C1	1908358880	RIDKVMFLECQUMU-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
COCCCOC[C@@H]1CCC[C@H](C(=O)NN)O1	1909805926	SFEFNAZLQFHPIG-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CN(CCF)Cc1cc(F)cc(B(O)O)c1	1917270220	ZCVHHCDAMGTQTG-UHFFFAOYSA-N	229.035	-0.093	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N1CC[C@H]1CO	1923192524	VXLNVAAQPXCBPW-BYPYZUCNSA-N	241.169	-0.644	50	10	BBGE	
C[C@H]1OCC[C@@H]1SCCOCC(=O)NN	1928181199	KYJKYAHWKOZKSW-SFYZADRCSA-N	234.321	-0.097	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CN(C)C[C@@H]1O	1928757089	AAXMKQLGPBKORR-QYNIQEEDSA-N	206.673	-0.595	50	10	BBGE	
O=C(CCc1cccnc1)NNCCO	1929837241	XEBUDODFMXYEGH-UHFFFAOYSA-N	209.249	-0.373	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@H](F)C1	1929912497	ICFKIQQBHOADTN-RULNZFCNSA-N	219.260	-0.985	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COC[C@H]1CCl	1937178667	BWINQODLWBOURS-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)C2(CC2)C1	1944604481	SCBYDXYEOWFWIV-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
CS(=O)(=O)C[C@H](Br)CO	1951555050	JNGGYSXKUQTYFF-SCSAIBSYSA-N	217.084	-0.213	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@H]1CO	1954216454	WTPXELVUNNTIBK-YUMQZZPRSA-N	203.673	-0.617	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1954501920	FZJWZICLJRFXGM-ROHCDXGRSA-N	205.641	-0.822	50	10	BBGE	
NC(=O)[C@H]1COCCN1CC=CCCl	1956260342	JHZQANFODINTCV-MRVPVSSYSA-N	218.684	-0.033	50	10	BBGE	
C[C@@H](CN=[S@@](C)(=O)N(C)C)C(=O)NN	1956457336	CDNSSYSZHVZMHD-DXRPGJJCSA-N	222.314	-0.813	50	10	BBGE	
C[C@@]1(NC(=O)CCl)CCC(=O)NC1=O	1956987545	NJSHTRKPVVPHHH-MRVPVSSYSA-N	218.640	-0.463	50	10	BBGE	
CN(C)C[C@@H]1CCN1CCCC(=O)NN	1958805857	WTXXKPHLGZOBTK-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)NCc1nnnn1C1CCC1	1961171943	DFFKZDGKDDOJKT-UHFFFAOYSA-N	211.229	-0.929	50	10	BBGE	
CSCCN(C)c1ncccc1B(O)O	1961695113	YXROZHBVDHYWMW-UHFFFAOYSA-N	226.110	-0.439	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CC23CCC3)CC1	1975982938	QURNZPWVUOBTBR-UHFFFAOYSA-N	223.276	-0.089	50	10	BBGE	
C[C@@H]1C[C@H](CCn2ccc(B(O)O)n2)CO1	1976358829	WAHPNOROJHCKNZ-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(B(O)O)cn2)CO1	1981430612	QDFMOXCVEKSWOY-APPZFPTMSA-N	223.037	-0.682	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1CC(CO)C1	1990037957	CCNSTJZHZMNLFJ-UDNWOFFPSA-N	229.324	-0.152	50	10	BBGE	
O=C(NCC=CB(O)O)[C@]12C[C@H](CCO1)C2	1991330434	LVTCRNNCPFVRRV-WAAGHKOSSA-N	225.053	-0.760	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN(CCO)CC1	1991713452	TWOKBWYEAOECPI-OWOJBTEDSA-N	246.694	-0.556	50	10	BBGE	
C=C(CN(C)[C@H]1CN2CCC1CC2)B(O)O	1992152394	DVDULNLSVPSRLM-NSHDSACASA-N	224.113	-0.419	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2COC[C@@H]21	1992339295	SVHOEPJFBWBPEJ-KXUCPTDWSA-N	227.308	-0.278	50	10	BBGE	
CC[C@H]1CC[C@@H](Cn2ccc(B(O)O)n2)O1	1993521702	AWHOQSZFHPBLHZ-IUCAKERBSA-N	224.069	-0.480	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2C[C@H]21	1995201588	XMBPHVUOYQONNW-QXFUBDJGSA-N	219.049	-0.061	50	10	BBGE	
O=C1CN(C2CC(n3ccnc3)C2)CC(=O)O1	1997418960	ZVOYLIATMMPUED-UHFFFAOYSA-N	235.243	-0.028	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC2(CC(O)C2)C1	2005805134	DBGLQIORPIFLLN-RKVXJDFWSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@]1(C)CCN1c1ncccc1B(O)O	2007187222	YMTYYSIGIKEKOC-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ncc(F)cc1B(O)O	2014925889	GPZZQQSQDJZFGP-JGVFFNPUSA-N	238.071	-0.007	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC=C2B(O)O)CO1	2020066874	ANBYWDXMCDPHGG-NQMVMOMDSA-N	239.080	-0.372	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@]2(CO)C1	2021654551	KGFLZUUXQDUXTA-DNRKLUKYSA-N	239.319	-0.683	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1(C2CC2)CC1	2028110277	UEGRWVPZAFHASG-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H]2C(N)=O)c1	2028917243	AXHCBBPHYNHAOV-SNVBAGLBSA-N	248.286	-0.650	50	10	BBGE	
Cc1ccnc(N2CC[C@@H](N(C)C)C2)c1B(O)O	2052472848	NYVNSZYWECPORE-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
COc1cc(C=O)c(B(O)O)cc1OC(F)F	2060329714	YXLAFAMIACEFFQ-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1ccc(CN2C[C@@H]3COC[C@@H]32)cc1B(O)O	2066310961	VTNWQGCLUAFHHY-YPMHNXCESA-N	247.103	-0.495	50	10	BBGE	
NC(=O)[C@@H]1CCN1CC(=O)NNc1ccccn1	2075113040	VETIHTAISIZEMM-QMMMGPOBSA-N	249.274	-0.916	50	10	BBGE	
CN(C)CCCOCc1ccc(B(O)O)s1	2211071467	CAAACKUGJMNCDX-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
OB(O)c1cccnc1N1CCC=CCC1	2212603109	MWXYVYDFEUVBHI-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C[C@H](N)CCCOc1ccc(B(O)O)cn1	2212603832	JMDQYRPAYLUCOW-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
COC12CCC(NC(=O)C(=O)NN)(CC1)C2	2212614647	GALOZWPCVPNTHS-UHFFFAOYSA-N	227.264	-0.806	50	10	BBGE	
CCC1CC(n2cc(B(O)O)cnc2=O)C1	2212715910	UCNOJAVUKKAVCU-UHFFFAOYSA-N	222.053	-0.716	50	10	BBGE	
Cc1cnn(C[C@H]2CC[C@@H]2C(=O)NN)c(=O)c1	2215770619	CSMZTFOGLURZOY-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@H]1CCO	2215772108	LYJLOMIYHWWGEJ-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1C[C@@H](CCO)C(C)(C)C1)C(=O)NN	2216475029	RNKQBRZUCHMYBG-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
C=C(C)COCCNc1ncccc1B(O)O	2217175831	NWHIUBHSEUNIPP-UHFFFAOYSA-N	236.080	-0.234	50	10	BBGE	
C#C[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217178078	RDQRBSFCUOSEER-ONGXEEELSA-N	230.076	-0.025	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@H]2O)cc1B(O)O	2217179217	IBBUMYBPLPOAPW-NXEZZACHSA-N	236.080	-0.605	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC[C@H]3C2)c1F	2217181216	NVMRYKJDYNWFRS-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Nc1cc(B(O)O)ccn1	2217183471	LMZWDGXYHUXYSH-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N[C@@H](C)C(C)(C)O)cc1B(O)O	2217185118	YNOADLUGYUSEJL-QMMMGPOBSA-N	238.096	-0.359	50	10	BBGE	
Cc1cnc(O[C@H]2CC[C@H](N)C2)cc1B(O)O	2217185656	ZXCCGLFSYXUZDW-IUCAKERBSA-N	236.080	-0.672	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCCOC2)c1F	2217189608	GNZSNUCFNFXDFB-SSDOTTSWSA-N	241.027	-0.542	50	10	BBGE	
C[C@@H]1NCC[C@H]1COc1cc(B(O)O)ccn1	2217194300	UOZUCNAJUSFOED-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
COC[C@H](C)CCN=c1cc(B(O)O)cc[nH]1	2217197714	PYNSYVJZLJORSP-SECBINFHSA-N	238.096	-0.732	50	10	BBGE	
C[C@H]1CC[C@H](CNc2ncccc2B(O)O)O1	2217202933	NHRHGLFPLWAELG-DTWKUNHWSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CNC[C@@H](CNc2ncccc2B(O)O)C1	2223633065	RJGFBNYFLMUQIQ-ZJUUUORDSA-N	249.123	-0.581	50	10	BBGE	
OB(O)c1ccnc(OC2([C@@H]3CCNC3)CC2)c1	2223664905	ZSBJZCDKHNAOHF-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CN[C@H]2CCC[C@H]21	2223674800	NMJPTNIJDRHGAU-DVVUODLYSA-N	247.107	-0.686	50	10	BBGE	
N[C@@H]1CC[C@H](CCN=c2cc(B(O)O)cc[nH]2)C1	2223675978	VAWBBVVHRFECBR-MWLCHTKSSA-N	249.123	-0.887	50	10	BBGE	
CN(C[C@H]1CCCNC1)c1cc(B(O)O)ccn1	2223679189	MJNVREZDKGWZHO-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
O=C(NCC(F)F)C1(B(O)O)CCC1	2241472694	WHKLIJPKALTQTF-UHFFFAOYSA-N	206.985	-0.235	50	10	BBGE	
O=C(C#CB(O)O)N1CCC=C(Cl)C1	2241478338	CHEBDKNMBNBNKH-UHFFFAOYSA-N	213.429	-0.643	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ccc(B(O)O)o1	2243348895	BNPALWHJZHQHLP-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
CN(CC1CC1)C(=O)c1coc(B(O)O)c1	2243348951	CMYHSLUTYXQJHW-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
N[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CCC1	2243363535	IKLFMLOZYMFEBS-JGVFFNPUSA-N	226.085	-0.621	50	10	BBGE	
COCC(C)(C)CNC(=O)C1(B(O)O)CC1	2243365260	KGGGNVBUBXZBIW-UHFFFAOYSA-N	229.085	-0.218	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)C1(B(O)O)CC1	2243366203	YRDOKSQZDGZDKP-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
CC[C@H](CO)N(C)C(=O)C1CC(B(O)O)C1	2243392542	UVBLIKLWQCDSHT-AMDVSUOASA-N	229.085	-0.531	50	10	BBGE	
C[C@H](O)CCN(C)C(=O)C1CC(B(O)O)C1	2243404603	QSRIZVHNPVIOLU-UEJVZZJDSA-N	229.085	-0.531	50	10	BBGE	
CC1CC(NC(=O)c2ncsc2B(O)O)C1	2243407940	CRAKSADGZWVFFD-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
O=C(N1CCC[C@H](CO)C1)C1(B(O)O)CC1	2243411252	QMPBQLWBOMYFFG-QMMMGPOBSA-N	227.069	-0.776	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC=C(F)C1	2247733461	NNDVIOXASQLYPN-UHFFFAOYSA-N	236.011	-0.929	50	10	BBGE	
C#CCCN(CC)C(=O)c1coc(B(O)O)c1	2247734568	IFERXVGUEOXMOW-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
O=C(C#CB(O)O)NCC1(CC(F)F)CCC1	2247742073	KIILCGLGDPBHAI-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
Cc1cnccc1CN(C)C(=O)C#CB(O)O	2247747041	IHPNXZVCFWCMFX-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
CC[C@@](C)(CN)N(C)C(=O)C1(B(O)O)CCC1	2247750131	FEZUPLWIQVZQQW-JTQLQIEISA-N	242.128	-0.031	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1occc1B(O)O	2247750916	PWTSIGQPTQCKPI-CPCISQLKSA-N	235.048	-0.368	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2247752321	MXDLQLMNJDKUBG-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(F)ccc1B(O)O	2247757475	JSBSPZUVZLMKPA-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC(F)F)c1	2247762062	ZKAFWXIJGXQNBM-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
CC(C)N(C)C[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247799417	CXECHFUHGUJVLJ-GUBZILKMSA-N	242.128	-0.306	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CC1CC1)C1CNC1	2247803610	BUIKTSMMLBMBDK-NXEZZACHSA-N	238.096	-0.940	50	10	BBGE	
CN(C1CC1)C1CN(C(=O)C2(B(O)O)CC2)C1	2247853270	JHNNTPXOPUTBBC-UHFFFAOYSA-N	238.096	-0.702	50	10	BBGE	
O=C(NOCCF)c1ccc(F)cc1B(O)O	2247853339	KRJNLVKYTFOMMQ-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1=O	2247853543	NMJZSWDPXBYANP-ZETCQYMHSA-N	241.052	-0.985	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@@H]1CNC2	2247887336	MWWHOGOFNUGRKM-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
CN1CCC(C)(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247894806	KXQCMOMHXUOGBX-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2247900394	WLXWJPWOCNZJMH-KHUVANEUSA-N	241.096	-0.079	50	10	BBGE	
C[C@@H](N)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247900698	ZADFPINRJDJGFK-SZEHBUNVSA-N	240.112	-0.565	50	10	BBGE	
CN(CCF)C(=O)c1cc(B(O)O)ccc1O	2248027930	BUFNDIVJCRFWNG-UHFFFAOYSA-N	241.027	-0.887	50	10	BBGE	
CC#CCCC(=O)Nc1cccc(B(O)O)n1	2248472150	BSEJLEYJEKTYHR-UHFFFAOYSA-N	232.048	-0.497	50	10	BBGE	
O=C(O)CCCONC(=O)[C@H]1C[C@H](B(O)O)C1	2248587603	RTKRYJYCNZNKOS-LJGSYFOKSA-N	245.040	-0.848	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248647237	OGFJDKBYDVSUFZ-QCBRBAQYSA-N	241.096	-0.219	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCC(F)F	2248968746	RIYHEHORIGPSRP-UHFFFAOYSA-N	244.006	-0.935	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CC[C@@H]21	2249416374	QSVOMJVEPDGSAC-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249417970	NDUIJNCDKONVKJ-ONGXEEELSA-N	237.064	-0.122	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1cc(B(O)O)co1	2249431367	URMBVXLWETYWQG-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
Cc1cnc(O[C@]23CCNC[C@@H]2C3)cc1B(O)O	2254112221	CVNOSHAHDUNCFO-CABZTGNLSA-N	248.091	-0.799	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@H]1C1CC1	2255453457	HSZPFEAZNBZWDJ-NSHDSACASA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(F)c(B(O)O)c1	2255500306	IPCWZCJSFUTNFL-VIFPVBQESA-N	249.050	-0.046	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nn2cccc2)c1	2255512745	FDXKYJMCVCRGFF-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)n[nH]2)cn1	2255549390	GSLWACFYQXFQIR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)[C@@H]1CC=CCC1	2255551918	DQMLMBPTOUOQAQ-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
O=C(NC1CC(c2ncc[nH]2)C1)C1(B(O)O)CC1	2255732065	PJYCEQHPPIYEQR-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
CC=C1CN(C(=O)c2ncc(B(O)O)cc2C)C1	2257487660	OZEWGRNIQBZUHW-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1nccnc1NC(=O)c1cocc1B(O)O	2258122636	FMGHOEBDKCVJNA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1cc(B(O)O)co1	2258129682	YKQCWYXZDRYGBF-WCBMZHEXSA-N	249.075	-0.265	50	10	BBGE	
C#CCCCCCNC(=O)c1cocc1B(O)O	2258137768	AOAQQIJDLUUSLC-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H](CO)[C@H]2C1)C1(B(O)O)CC1	2298368168	QXPZWMYLICOQAA-VGMNWLOBSA-N	239.080	-0.920	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)[C@H]1C[C@H]1B(O)O	2298368529	KHXHZZKEPQSZGQ-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2OCC[C@@H]2C1	2298369099	IZEKEENCEAHJLY-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298370192	RGEWFOLMHAAREX-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2298376677	IMSQTJMPDXVAMG-IMSYWVGJSA-N	241.096	-0.341	50	10	BBGE	
CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376967	ZTKJXTZMMZXJQV-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2300375744	XFFXDXQALNKUED-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301479022	MOMFBYUQTPAWLP-SSSAOXCUSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2302020939	UTTSYDKIKKEPQJ-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
COCc1ocnc1CN1CC[C@@H](B(O)O)C1	2303102667	YUUKYAOGOZZVCK-MRVPVSSYSA-N	240.068	-0.130	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	2303424303	QFTDEKDOCHKWEG-GMOBBJLQSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccnc(N2Cc3cccnc3C2)c1	2315341162	PTXOHLIBCSOIRX-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@@H]1CN	2317151933	WKTOZUFXBQDQSX-LLVKDONJSA-N	245.091	-0.834	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1ccc(B(O)O)cc1C#N	2317161762	FOBGLDJDCNFJPA-QMMMGPOBSA-N	248.091	-0.191	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCCN=c1ncc(B(O)O)c[nH]1	2318769342	PMCHRMYFADEVNS-ZJUUUORDSA-N	249.123	-0.184	50	10	BBGE	
OB(O)c1ccnc(N2CCN[C@H]3CCC[C@H]32)c1	2319236982	HFPLGUGXVMXKNU-WDEREUQCSA-N	247.107	-0.908	50	10	BBGE	
Cc1ncncc1CC(=O)NNC(N)=O	25492364	RZYAGVYOHJGTSX-UHFFFAOYSA-N	209.209	-0.973	50	10	BBGE	
N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@@H]12	38845979	BUDIODLBJBTUJD-FBCQKBJTSA-N	248.691	-0.194	50	10	BBGE	
CCOC(=O)c1c[nH]c(SCC(=O)NN)n1	75313629	ISFNVOQOGCXSIK-UHFFFAOYSA-N	244.276	-0.332	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H](O)C1	82470432	XBJOGJRKPWNTGD-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
COCCN(CCC#N)[C@H](C)[C@@H](C)C(=O)NN	93071886	IMYDOOZTFGHAOB-NXEZZACHSA-N	242.323	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC(=O)NC1CC1	93072117	YOIMQTKHUYGQCM-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
N#C[C@@H]1CN(CCCCCC(=O)NN)CCO1	93936528	RAHQNWGFPFIHLB-SNVBAGLBSA-N	240.307	-0.239	50	10	BBGE	
C[C@H]1COCCN1CC(=O)NNC(=O)C1CC1	112976767	JJQFRKWIYOQYTG-QMMMGPOBSA-N	241.291	-0.736	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)C1CC1	149067265	CHYCEJKWLGTPKF-UHFFFAOYSA-N	201.226	-0.278	50	10	BBGE	
CS(=O)(=O)CS(=O)(=O)NCCCl	167572366	BWRZIUWEUGXUBX-UHFFFAOYSA-N	235.714	-0.853	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)CN(C)C	176149852	NWSOMBDOYBLIHA-UHFFFAOYSA-N	236.275	-0.287	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCCn1cccn1	203391637	FHBMCPJTIRXWRO-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@H](C)Cl	227260532	HKHWDJXIJSNBEJ-CRCLSJGQSA-N	209.629	-0.736	50	10	BBGE	
CC(=O)N[C@H]1CCN(C[C@@H](O)CCl)C1	228331359	HIUNFGYLHVXXEK-IUCAKERBSA-N	220.700	-0.204	50	10	BBGE	
OB(O)c1ccnc(-c2cscn2)c1	238651890	TWYBDHJDQDKSAP-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
NC(=O)CNc1nc(N)nc(CCCl)n1	309005213	MVXJFDVSWWXDHT-UHFFFAOYSA-N	230.659	-0.868	50	10	BBGE	
Nc1cc(F)c(OC(F)(F)F)cc1B(O)O	322312602	YXJMSCTUZPHCCU-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Nc1nc(Cl)ccc1C=NNC(=O)CO	380345906	TVIUCFOHNZCXAR-UHFFFAOYSA-N	228.639	-0.240	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](C)[C@H]1C	380351028	YXHGGCPBCALAFN-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)Cc1nc(-c2ccccn2)no1	380665267	YLJDIBIWMKQFKP-UHFFFAOYSA-N	219.204	-0.336	50	10	BBGE	
CC[C@@]1(N2CC(=O)OC(=O)C2)CCOC1	382100940	OIWCPFIUCUXIBR-SNVBAGLBSA-N	213.233	-0.059	50	10	BBGE	
C[C@H]1COCCN1Cc1nc(C(=O)NN)co1	387012947	RBYDHWOWTTYTNV-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C[C@@H](CCl)C(=O)NCc1nnnn1C	389308757	QAFQUGJYTAMCOT-YFKPBYRVSA-N	217.660	-0.299	50	10	BBGE	
COC(=O)CCc1ccc(C#N)cc1B(O)O	396111921	RMXLNIRTHWPBTD-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
C[C@@H]1CC[C@@H](N=C=O)CN1S(=O)(=O)N(C)C	397118556	YTOYCCKVZTXIHI-RKDXNWHRSA-N	247.320	-0.019	50	10	BBGE	
C[C@H]1COCCN(Cc2ccc(B(O)O)cc2)C1	399587801	KOOLGUMGWGCAFD-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
CC[C@H](SC[C@H]1CN(C)CCO1)C(=O)NN	400778721	OKPYJIDGGPGSTJ-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)C(=O)NN)CO1	401414321	SZTRQHZRMMVVNW-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
COCC#CCN1CCC(O)(C#N)CC1	686006021	SEBKFFYSBPMDMU-UHFFFAOYSA-N	208.261	-0.013	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@]12COC[C@@H]1C2	689152952	FQIWPONAZFJBCS-QPUJVOFHSA-N	247.059	-0.659	50	10	BBGE	
CN1CCC[C@H]1CCn1ccc(B(O)O)n1	692466853	CFBWUWJMMGYNLG-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
COC[C@@H](Cl)CNCc1nnnn1C	697788429	ODWXEEWXQUYUQA-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
CCn1nnnc1CNC[C@@H](Cl)C(=O)OC	697837012	HBTOMMXDFWLVSY-ZCFIWIBFSA-N	247.686	-0.437	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nccnc1C	700076875	BTHMQDZPGDHYOP-JTQLQIEISA-N	237.307	-0.015	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	700617956	AMNYWEAJDGCTQS-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
O=C(C[C@H]1CCCCO1)NCB(O)O	702018619	WMBITAASTKEXGF-SSDOTTSWSA-N	201.031	-0.926	50	10	BBGE	
C[C@@H](CN1CC[C@]2(CCOC2)C1)C(=O)NN	707277497	BACAJSLLZPHXIT-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CN1CC[C@H]1CNC(=O)NC(=O)CCl	710287393	JBVFHRXSEFZLMW-LURJTMIESA-N	219.672	-0.245	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)CC(=O)NN	710947742	RMCCZOLKJQBGRD-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@@H](O)CN(C)C	717363573	DYECUXGEMCQHAB-JGVFFNPUSA-N	222.716	-0.100	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H](O)CN(C)C	717364628	JHDWFBALZRWZLW-NKWVEPMBSA-N	208.689	-0.348	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN2CCC1CC2	722805703	BEOCDFBCLLSWHK-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
CCC1(C(=O)N2CCC(O)(C#N)CC2)CNC1	722931885	RHEQIFOHTLTXMG-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
CC1(C)CN(Cc2nsc(C(=O)NN)n2)C1	724348983	HIMBROBVMHOLQY-UHFFFAOYSA-N	241.320	-0.017	50	10	BBGE	
CO[C@H]1CN(C[C@H](Cl)C#N)C[C@@H]1O	725560878	ZPJVSFJOYVZDAU-CSMHCCOUSA-N	204.657	-0.191	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NCCC	900394926	RLOUCRWILOTEBZ-OHCKJTPYSA-N	215.253	-0.336	50	10	BBGE	
CN(NC(=O)c1cn2c(n1)CCC2)C(N)=O	1118213661	RCSADVBUHUGHHH-UHFFFAOYSA-N	223.236	-0.515	50	10	BBGE	
CNC(=O)NNC(=O)c1cccc(C#CCO)c1	1292009778	FXDUMKRLOPFWLL-UHFFFAOYSA-N	247.254	-0.396	50	10	BBGE	
O=C(CC1(O)CCC1)NNC(=O)[C@H]1CCCO1	1298634851	DNIGJDYGQVQOKJ-MRVPVSSYSA-N	242.275	-0.382	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)c1cc[nH]c1	1303456834	YLGDRXXRISJSCE-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cn(C)nc1Cl	1328989873	PFQMXKJKQSGWCE-UHFFFAOYSA-N	244.638	-0.303	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1NC(=O)O[C@@H]1C	1556548405	RMKIHDJNZJWJFX-UHNVWZDZSA-N	231.208	-0.787	50	10	BBGE	
NC(=O)N[C@H](CO)C(=O)NNc1ccccc1	1636862244	MMRLSYYWPUEGCN-MRVPVSSYSA-N	238.247	-0.841	50	10	BBGE	
C[C@H](Cl)CNC(=O)C[C@H](N)C(=O)O	1865996300	LVNYDHBAGCYCPO-WHFBIAKZSA-N	208.645	-0.468	50	10	BBGE	
NC[C@H]1CCN1C(=O)C=CC(=O)Cl	1883627410	USMKFKHSWGVVBH-ZCFIWIBFSA-N	202.641	-0.132	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1CN(C(N)=O)C1	1885616842	QFOZLPKXWARQIO-YFKPBYRVSA-N	219.672	-0.260	50	10	BBGE	
O=C(CCCCl)N1CC[C@@H](O)[C@H](O)C1	1887705459	WXDYZOCGIRCCLQ-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
C#CCC(=O)NN(C)S(=O)(=O)CCC	1888561604	GLDPVZXMHYCKSD-UHFFFAOYSA-N	218.278	-0.288	50	10	BBGE	
C[C@H](O)CNS(=O)(=O)CCOCCCl	1889159414	PAFXPSUYYIMCQL-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
CNCCCSCC(=O)NNC(C)=O	1891423264	DODJHBODUNYSKE-UHFFFAOYSA-N	219.310	-0.504	50	10	BBGE	
C[C@H](O)CCCN(C)CCOCC(=O)NN	1899926708	JMCPXSWVEZBCIW-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NN(C)S(C)(=O)=O)N1	1901375437	LTVIRLPFOKNICE-SFYZADRCSA-N	249.336	-0.560	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)C1(CO)CC1	1901764189	ROJYBNRCJRXIQL-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cc(NCC2(F)CC2)ncc1F	1903005519	IAPASBJOKQIATP-UHFFFAOYSA-N	228.007	-0.186	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	1905014680	WGJNIFPSAYXNCK-BWZBUEFSSA-N	226.085	-0.813	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](CO)C12CC2	1909283780	KOLSPHFMGCVFCB-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
CC[C@H]1CC(=O)N(C[C@H](C)C(=O)NN)C1	1912237149	OXVWFIBYLVZCMW-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C1(C)C	1914330079	HBNOYOVFHFANKS-JGVFFNPUSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C12CCC2	1914395621	FPBUKQNPUTVFNJ-LPEHRKFASA-N	241.335	-0.010	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923222598	BBZRUFDCARJPFF-GSVOUGTGSA-N	212.127	-0.757	50	10	BBGE	
COCCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1927913120	FRYUFABJMQESLJ-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
CCN(CCOC)C[C@@H]1C[C@H]1C(=O)NN	1927913596	KZGMZMPMBAKRDV-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
CN(C)CCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927914191	RIAYMYUNGNFHAR-IUCAKERBSA-N	214.313	-0.894	50	10	BBGE	
COC1(CC(=O)NNCCO)CCC1	1929835065	MDUJHGHGAWIUHX-UHFFFAOYSA-N	202.254	-0.441	50	10	BBGE	
Cn1nnnc1CNC[C@H](Cl)CF	1930556941	ADEPMKAZTJEJNI-RXMQYKEDSA-N	207.640	-0.123	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C(N)=O)C1CC1	1932385676	WHJARFFNDYZBLX-UJURSFKZSA-N	204.657	-0.006	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(SC)C1	1933239270	ISSQMSJWBGJUTG-SSDOTTSWSA-N	203.311	-0.198	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCC[C@H]1CO	1935945761	WKLLPSBGGYTRNN-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
CC1(C)[C@H](O)CCN1CC1(C(=O)NN)CC1	1938247980	ZFFCBMXSRHHDRZ-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
COc1cc(B(O)O)c(Cl)cc1N	1951332403	PRDXLRLPAXAKHH-UHFFFAOYSA-N	201.418	-0.389	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccc2nn[nH]c2c1	1952811118	AHYFKMZBHDAJIX-BDAKNGLRSA-N	203.205	-0.158	50	10	BBGE	
Cc1cnsc1C(=O)NCB(O)O	1954038442	HRGJPEQHSHVYFR-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(C[C@H](O)CCl)C1	1956310988	ZJXBLRADGUEWLU-IWSPIJDZSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCc1nn[nH]n1	1957305424	CQTZGPOXWBFQSE-YFKPBYRVSA-N	217.660	-0.124	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1957675150	NSUOSBZPJAMKEB-GLEZIHRCSA-N	233.337	-0.935	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(CCF)C1	1958352589	KZWAYMBPNYRVGJ-IUCAKERBSA-N	215.272	-0.096	50	10	BBGE	
C[C@@H](CCC(=O)NN)N=[S@](C)(=O)N(C)C	1960619478	YVLWNXZVEAPJRF-ZIDLFYJRSA-N	236.341	-0.281	50	10	BBGE	
CC1(N2CCN(CC(=O)NN)CC2)CC1	1975218455	XDNRDKGSPNGNRM-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
Cc1cc(OCS(C)(=O)=O)ccc1B(O)O	1978305328	XJLIVQGFAAPVRR-UHFFFAOYSA-N	244.077	-0.944	50	10	BBGE	
Cn1ncc2c1CN(CCCC(=O)NN)C2	1980303582	YTLOWPIKQXEQNA-UHFFFAOYSA-N	223.280	-0.494	50	10	BBGE	
NNC(=O)C(=O)N1CCSC2(CCCC2)C1	1980934714	VBYHAANHIUJCSC-UHFFFAOYSA-N	243.332	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C(CO)CC1	1980961171	MNXBGMJHSJRPPG-DTWKUNHWSA-N	227.308	-0.375	50	10	BBGE	
CS[C@H]1CCN(c2ccc(B(O)O)cn2)C1	1981409128	JILAEROOQYDXFT-VIFPVBQESA-N	238.121	-0.297	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ccc(B(O)O)cn1	1981429943	JNHNJMLNMPGYNE-IONNQARKSA-N	223.037	-0.825	50	10	BBGE	
OB(O)c1csc(N2CC(F)(C3CC3)C2)n1	1981468817	IQHFRNCTOJQARP-UHFFFAOYSA-N	242.084	-0.239	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3[C@H](C2)C3(F)F)n1	1981472168	OFVDECXKXUJCFW-SYDPRGILSA-N	246.047	-0.476	50	10	BBGE	
NC(=O)C1(CNC(=O)NC(=O)CCCl)CC1	1983759814	YKEHSXBBUREANH-UHFFFAOYSA-N	247.682	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(O)(c2cccs2)C1	1989950426	ZMIKHLCWUPIIFM-SSDOTTSWSA-N	241.316	-0.370	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CCOC1	1991327427	QEBPKSYEDGNREG-APPZFPTMSA-N	225.053	-0.760	50	10	BBGE	
CN(CC(C)(CO)CO)C(=O)/C=C/C(=O)Cl	1991705043	ZTQDZJAHWAWAHC-ONEGZZNKSA-N	249.694	-0.243	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCN(C2CC2)C1	1997511974	GPPFKIHAISNLHS-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCNC[C@H]1C	1999361562	MKOWTFDXLIPXBU-SCZZXKLOSA-N	242.323	-0.917	50	10	BBGE	
CC[C@]1(CO)COCCN1C[C@H](C)C(=O)NN	2003264958	QWNLAQNIRPNKJY-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]([C@@H]2CCCO2)C1	2004396595	NOLSNDKMTHLBLP-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3CC[C@H]3C2)n1	2004973127	QBCSFYNOOZMKIF-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncnc(N2CCC[C@H](F)C2)c1B(O)O	2004974828	PVPPBHOPNOQYHM-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
COc1nc(N(C)CC(C)C)ncc1B(O)O	2005014245	IVIBYAYCAXOVSU-UHFFFAOYSA-N	239.084	-0.743	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C1COC1	2007615071	FHLDKDBKYYWINL-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
NNC(=O)c1ccc(CO[C@@H]2CCOC2)cn1	2007739510	AOEQOWDNYIXCHN-SECBINFHSA-N	237.259	-0.009	50	10	BBGE	
NNC(=O)CCCN1CC2(CO)CCC1CC2	2009105069	LVBBBXZUDRLFOH-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](N)C2(O)CCC2)CC1	2014515400	QEMNQNDINCSROU-SNVBAGLBSA-N	235.287	-0.089	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@]1(C)CCCO1	2017098267	QYPJGJZPUBHQLJ-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CCc1ccnc(C(=O)NCC#CB(O)O)c1	2021157991	VFSMGBVNOUACRF-UHFFFAOYSA-N	232.048	-0.611	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)C12CCC2	2023236379	KMGFIVZERHEFHN-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
COc1cc(Cn2cc(B(O)O)cn2)cc(C)n1	2047624890	YWHVZIDUZAIUTK-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)C[C@@H](C)C2)n1	2052626381	UZNPMJAJJHDCFN-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
CCOc1c(C#N)cc(B(O)O)cc1[N+](=O)[O-]	2060216253	QQTQNXUAAFIUNO-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@H]2CCN2C)n1	2066394436	HEKHCCQFOIJXGO-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc2nccn12	2076083552	DXBVNMSYEHIBLU-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2c[nH]nc2c1	2077438737	LZBALDXBLJIJQU-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@H](C)[C@H]3C2)n1	2085520212	SOSALSOBNAGOAY-UJNFCWOMSA-N	247.107	-0.443	50	10	BBGE	
CC#CCC(=O)NCCc1cccc(B(O)O)c1	2086603574	NQCIKYJDGOGSBV-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)N1CC[C@H](B(O)O)C1	2208732602	WWHQCRVWRBLHIP-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
Cc1c(C(=O)NNC(N)=O)cnn1C1CC1	2211670635	MBLBITQJAPLXKJ-UHFFFAOYSA-N	223.236	-0.160	50	10	BBGE	
NNC(=O)CCN1CC(OC(F)(F)CF)C1	2211919092	URJHWLIVFRRENJ-UHFFFAOYSA-N	241.213	-0.371	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(OC)C1	2212333477	CDUXNZWSVABULK-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@H]32)c1	2212611333	ZINWYGTZWCMIMP-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
C#CCCN(CC)c1ncccc1B(O)O	2212612890	PYBWXRRLPDRVDP-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
CO[C@@H]1CC[C@H]1Cn1nc(C)c(B(O)O)c1C	2215113450	MFYPIMUYLKALLG-VHSXEESVSA-N	238.096	-0.395	50	10	BBGE	
CC1(C)NCC[C@@H]1Nc1ccc(B(O)O)cn1	2217176648	YXUDDRXIEXNLGF-VIFPVBQESA-N	235.096	-0.686	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCCO1	2217177175	GKIVFTWXMGNYFY-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
CCCC1(O)CN(c2ccc(B(O)O)cn2)C1	2217177926	PDTOOMGVSUSSDV-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@H](O)C[C@H](C)CNc1cc(B(O)O)ccn1	2217178737	AOWMRAPSEOUNBT-IUCAKERBSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC[C@@H](O)C2)c1	2217178861	BRXCDTQVZBJCQA-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
C#CC1(CNc2nccc(B(O)O)c2F)CC1	2217182087	YWQOCSHROPFBGQ-UHFFFAOYSA-N	234.039	-0.274	50	10	BBGE	
Cc1cnc(N2CC[C@H](O)[C@H]2C)cc1B(O)O	2217182827	HHEIQMWQLPWPDD-SCZZXKLOSA-N	236.080	-0.971	50	10	BBGE	
NCC[C@@H](Oc1cc(B(O)O)ccn1)C1CC1	2217190005	AXTIWOCBTZRHOC-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Oc1cc(B(O)O)ccn1	2217190781	GJSJTNOZYQVAPO-RKDXNWHRSA-N	236.080	-0.734	50	10	BBGE	
C[C@](CN)(Nc1ncccc1B(O)O)C1CC1	2217202859	MHJJBLAAZFZTJK-LLVKDONJSA-N	235.096	-0.699	50	10	BBGE	
C[C@H]1CNC[C@@H](CNc2cc(B(O)O)ccn2)C1	2223626929	KJMBLRSIZIIZJC-ZJUUUORDSA-N	249.123	-0.581	50	10	BBGE	
NC[C@@H]1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223640275	VUDTZBVGZFQPIV-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(NC[C@@H]2NC[C@@H]3C[C@H]32)cc1B(O)O	2223641590	VACDFBZCMCZHDJ-NGZCFLSTSA-N	247.107	-0.910	50	10	BBGE	
Cc1cnc(N[C@H](C)CC2CNC2)cc1B(O)O	2223651433	CAGFFMQNKOUUFN-SECBINFHSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@H]2COC[C@@H]2C1	2223665184	DGFZACURTNEEGI-IUCAKERBSA-N	248.091	-0.402	50	10	BBGE	
Cc1ncnc(C)c1Nc1ncc(B(O)O)cn1	2223666546	MKOFGXQEKGLFRT-UHFFFAOYSA-N	245.051	-0.693	50	10	BBGE	
Cc1cnn(C)c1CNc1ncccc1B(O)O	2223675981	VBASQXIUSXEOTN-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
O=S(=O)(NCCF)N1CC(Cl)C1	2241354630	ZIXMZSHCEUUPMR-UHFFFAOYSA-N	216.665	-0.287	50	10	BBGE	
C=C=CCCNC(=O)c1cscc1B(O)O	2243349930	SPFCRUKDNRLYBE-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C[C@H]21	2243363506	HUUNOKLWQIOJAW-POYBYMJQSA-N	221.021	-0.806	50	10	BBGE	
O=C(Nc1cnccn1)[C@H]1C[C@@H](B(O)O)C1	2243383168	VECMDMHRVMIOGS-KNVOCYPGSA-N	221.025	-0.332	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C#CB(O)O)C[C@H]1C	2243399045	JMBFKLJGFZDUHB-BBBLOLIVSA-N	223.081	-0.057	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1coc(B(O)O)c1	2243399095	WNIGVDNOEUFYEQ-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
CC[C@@H](CCNC(=O)C#CB(O)O)COC	2243401153	MYCBLRGXZOSTIR-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243410979	LQINTOCOCQEJGD-YUMQZZPRSA-N	226.085	-0.621	50	10	BBGE	
CC[C@@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420677	XFTILXTVVYHPGB-IWSPIJDZSA-N	229.085	-0.483	50	10	BBGE	
CCN(O)C(=O)Nc1ccccc1B(O)O	2243455270	VQCBXWWHGPCEPT-UHFFFAOYSA-N	224.025	-0.391	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CC[C@H]2C1=O	2243496876	IQVUMCWZLMXEJF-KNVOCYPGSA-N	225.248	-0.849	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)CC1COC1	2243987801	AZHDLXZWDMAUSB-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
CN1CCN(CC(=O)NN)[C@@H](C(C)(C)C)C1	2245220910	ASTZECDSLLCVMF-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
CC[S@@](=O)NCc1ccc(C)c(B(O)O)c1	2246249137	ZDKTXWPUTUGDDQ-MRXNPFEDSA-N	241.121	-0.552	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1ccc(B(O)O)o1	2247740618	NECWIJLWKZUJCY-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
CCON(C)C(=O)c1cccc(B(O)O)c1F	2247752482	QEKUCLWHJYTVQA-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)C2(B(O)O)CCC2)C1	2247753393	GKMKOMUOSFFSDG-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
O=C(N1CC[C@@]12CCOC2)C1(B(O)O)CCC1	2247755716	JQMZLTVLLSVAJK-JTQLQIEISA-N	239.080	-0.225	50	10	BBGE	
CC1(C)C[C@@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2247756460	MISWUDZTGGFSIS-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787347	NVRSSFTWSOPRJY-IMSYWVGJSA-N	243.112	-0.237	50	10	BBGE	
N[C@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247788032	YGIZALCYMWGDQB-AEJSXWLSSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788115	ZMBUEBPERNEDCR-REIXXSIJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247798873	XWQQCPZZIUJVGG-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CC12CC(CNC(=O)[C@H]3C[C@H]3B(O)O)(CO1)C2	2247799019	ZDKZANCYYFTVQG-IIPFWGKHSA-N	239.080	-0.465	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247800333	NVRSSFTWSOPRJY-AATLWQCWSA-N	243.112	-0.237	50	10	BBGE	
CC(C)C1(O)CN(C(=O)C2CC(B(O)O)C2)C1	2247805397	BPBXDHYMEXNENB-UHFFFAOYSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]([C@@H]1CCCCO1)N(C)C(=O)C#CB(O)O	2247846984	PQEYVJJIPHYFDA-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
C=CCC1(NC(=O)C2CC(B(O)O)C2)CNC1	2247851667	ICMABGFNSXAYKL-UHFFFAOYSA-N	238.096	-0.726	50	10	BBGE	
O=C(NC1(CCO)CCCC1)[C@@H]1C[C@H]1B(O)O	2247852224	QLURAVJCUDVHMI-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)C1CC(B(O)O)C1	2247859693	OELWELBOXXPYDN-IEZMZVKSSA-N	239.080	-0.465	50	10	BBGE	
CC[C@@H](NC(=O)c1c[nH]nc1B(O)O)C(C)C	2247893684	WGJGGZRRWUVGMR-MRVPVSSYSA-N	239.084	-0.746	50	10	BBGE	
C[C@H]1CCOCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896324	YICKIDSNNRDXOM-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1(O)CCCCC1)[C@@H]1C[C@@H]1B(O)O	2247896785	KIUKHZMNYBNDAI-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1cn[nH]c1	2247897473	STNKOEPDWKVWBY-ACLDMZEESA-N	237.068	-0.160	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CO1)[C@@H]1C[C@@H]1B(O)O	2247898997	JIUMRFUOPDTEOX-YIZRAAEISA-N	239.080	-0.465	50	10	BBGE	
CC1(N)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247909354	IXHSQFNSGIKLDI-DTORHVGOSA-N	240.112	-0.421	50	10	BBGE	
O=C(O)C12CC(NC(=O)C3(B(O)O)CC3)(C1)C2	2248594122	USJUEIATGULNFA-UHFFFAOYSA-N	239.036	-0.883	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249415673	HOKLTKDVAIKSRO-VIFPVBQESA-N	233.032	-0.803	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2249427731	KLMYJGAGGJHBOZ-LYIWLLOFSA-N	235.048	-0.512	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)CCCOC1	2250007937	GDMUKXIVJQJODU-NSHDSACASA-N	239.080	-0.675	50	10	BBGE	
CCN(C(=O)c1ccncc1B(O)O)C1CCC1	2255445013	RGTXFAJJFXYSOR-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C=C(C)CONC(=O)c1cccc(C)c1B(O)O	2255509747	OUNGFCFFVQZRPH-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255531704	QZJVLFIIDXFYGR-VHSKPIJISA-N	248.091	-0.464	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1cc(B(O)O)c[nH]1	2255669685	RZKKZIOUTCMBNN-RKDXNWHRSA-N	248.091	-0.578	50	10	BBGE	
C=C(C)CCCNC(=O)c1ccncc1B(O)O	2255685838	HXXZCIAMSGFBJV-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2255743385	NWEMIOKPWHRXGP-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)Nc1cccc(B(O)O)c1	2255894223	ZBPYRYGBBBIICA-SECBINFHSA-N	246.075	-0.148	50	10	BBGE	
O=C(CCc1ccccc1O)NCC#CB(O)O	2256637415	UQIMFVSFIUJWHQ-UHFFFAOYSA-N	247.059	-0.544	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOC[C@@H]1C(F)F	2298370101	OOROKXNWHGCCKR-RRKCRQDMSA-N	249.022	-0.658	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298377468	RVRYRTTUSFRXOH-GRDBIXFFSA-N	238.096	-0.813	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377611	XRFXOEOTUUUKBB-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)[C@H]2CO[C@]1(Cn1cc(B(O)O)cn1)C2	2298693527	QZPCOJXDXFPQSW-KCJUWKMLSA-N	236.080	-0.622	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CC1	2299281642	UOECQIJYBQKOKL-RQJHMYQMSA-N	241.052	-0.780	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1CC1(C(=O)NN)CC1	2299338897	WMLHPNUEMMDPPQ-UWVGGRQHSA-N	239.319	-0.232	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@H]2C[C@@H]3O)CC1	2300194816	SUWDSPLTUGLHCI-UTLUCORTSA-N	239.319	-0.398	50	10	BBGE	
CNC[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301452803	MKDNDUIFGKDBCE-MRVPVSSYSA-N	236.080	-0.801	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@@H]1CO	2317151298	OYPUSDRSEWPFPS-LLVKDONJSA-N	246.075	-0.801	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)C1CNC1	2317349525	DPUYBQFMBMXJEC-MRVPVSSYSA-N	249.075	-0.834	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@](C)(B(O)O)C2)cn1	2319670139	RTXVFZVIZOZTJC-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
COCCNC(=O)CN(C)C(=O)CCCl	37832704	JSMQDTMQYAAAKB-UHFFFAOYSA-N	236.699	-0.164	50	10	BBGE	
NCCC(=O)NNC(=O)c1cccnc1	49814176	CWDOKHGOKWQRHO-UHFFFAOYSA-N	208.221	-0.809	50	10	BBGE	
O=C(CCCl)NC(=O)N[C@@H]1CCCNC1=O	50398466	ZHJRXBKVEUIJCB-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
CO[C@@H]1CCC[C@H](OCC(=O)NN)C1	70543749	JVMVLRFTVZWVFA-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCNCC1	82470529	WUGAKLQEMJXKDG-MRVPVSSYSA-N	200.286	-0.950	50	10	BBGE	
O=C1CN(C[C@@H]2CCCCO2)CC(=O)O1	111218045	RSQTYJPMOPYVLM-QMMMGPOBSA-N	213.233	-0.059	50	10	BBGE	
COC[C@@H](C)CN1CC(=O)OC(=O)C1	111218184	GHYNHVRHQXSALL-ZETCQYMHSA-N	201.222	-0.346	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@@H]1O	127605915	XLTDMPZHCZJXQA-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
COC(=O)[C@@H]1COCCN1C(=O)CCl	133853537	ANGRUYBRYVSXKA-LURJTMIESA-N	221.640	-0.374	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](N(C)C)C1	226121749	SZWZZVNPTNHHQB-OUAUKWLOSA-N	242.367	-0.117	50	10	BBGE	
COc1cccc(-n2cc(C(=O)NN)nn2)c1	229014047	OQUGNBITJFSVGZ-UHFFFAOYSA-N	233.231	-0.121	50	10	BBGE	
COC[C@H](Oc1ccc(C)nc1)C(=O)NN	232418260	JAODIPCCRWFDMQ-VIFPVBQESA-N	225.248	-0.226	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)O[C@H](C)C1	232418887	FFRPLVOAVQQYRU-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)CCSc1nccnc1N	236236616	VTTDBKXMYMVMJC-UHFFFAOYSA-N	213.266	-0.469	50	10	BBGE	
CN1CCC[C@@H](COCC(=O)N(C)N)C1	259049305	UZXJQKDMAMMKDK-SECBINFHSA-N	215.297	-0.323	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)NCc1ccco1	276077142	FLMOLQZTJSFFGT-LURJTMIESA-N	227.220	-0.509	50	10	BBGE	
COC(=O)[C@@H]1SCC/C1=N/NC(N)=O	307475143	SZBJVNNNRYWTCH-BZISYQFCSA-N	217.250	-0.311	50	10	BBGE	
NNc1ccc(B(O)O)c(CBr)c1	307533481	OPZMTESLJDOUCU-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
NC(=O)NN=Cc1c[nH]c2nccnc12	308678812	JMLLGIRCBKDRGO-UHFFFAOYSA-N	204.193	-0.040	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@](C)(CO)C1	381327351	AJIDIKOHXIMRRD-KOLCDFICSA-N	229.324	-0.295	50	10	BBGE	
N[C@@H](CC(Cl)C[C@H](N)C(=O)O)C(=O)O	381629735	PPUCBWZLTMGQIM-WHFBIAKZSA-N	224.644	-0.802	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1occc1C(=O)NN	385015485	RVGYWBHRGLHBPZ-HTQZYQBOSA-N	239.275	-0.162	50	10	BBGE	
N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1B(O)O	390069712	IEFBZGWJGRMSDE-DJLDLDEBSA-N	226.085	-0.883	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	404972147	QYFQDLOJOGPWQA-JGVFFNPUSA-N	234.064	-0.254	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ccc[nH]1	405067070	WIUQOSGADCKZDY-UHFFFAOYSA-N	230.032	-0.053	50	10	BBGE	
N#C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	584941904	NHYOEXGLQCLLRW-LLVKDONJSA-N	244.059	-0.602	50	10	BBGE	
Cc1nnnn1-c1ccc(OCC(=O)NN)cc1	586266199	NFDKNYIKBMPEEM-UHFFFAOYSA-N	248.246	-0.661	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1CC(=O)NN	688752371	DOKXQXCZUUKLSO-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@@H]1O	689814342	GENDHAHOOKRHSR-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN(C)C[C@@H](O)C1CC1)C(=O)NN	690157174	XLLKIPKNRFXOFI-VXNVDRBHSA-N	215.297	-0.685	50	10	BBGE	
CN(C)C[C@H](Cl)CN(C)c1nnnn1C	690272354	SLOBGUWGRZLZKC-ZETCQYMHSA-N	232.719	-0.185	50	10	BBGE	
Cc1nccn1CCCn1cc(B(O)O)cn1	699960111	YXGIGGGDCUALJJ-UHFFFAOYSA-N	234.068	-0.842	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1S(=O)(=O)NCB(O)O	701951115	PQQGYVQIPUNVNI-SFYZADRCSA-N	235.114	-0.504	50	10	BBGE	
Cc1cccc(OCC(=O)NCB(O)O)c1C	702033017	XZLORMLDWUBBKF-UHFFFAOYSA-N	237.064	-0.190	50	10	BBGE	
C[C@H]1COC[C@@H]1OCCCC(=O)NN	705853186	DXYMNNZZIUOWPH-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CC(C)(C)C(=O)NN	706206412	DMNKGQAMTHMYHN-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CO3)o1	718286607	MCMLPLZDAYRMJP-CBAPKCEASA-N	237.259	-0.144	50	10	BBGE	
NNC(=O)N[C@H]1CCCN2CCSC[C@H]12	720455607	FZTHVJOKKXWEJU-JGVFFNPUSA-N	230.337	-0.261	50	10	BBGE	
O=C(NN=Cc1ccccn1)[C@@H]1COCCO1	745207213	HAAAJQOLJNWAMH-JTQLQIEISA-N	235.243	-0.053	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	831854433	WFFCXXYBDJEBJA-JIGDXULJSA-N	227.264	-0.429	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)COCC(F)F	861206461	XXBMZXRINZGJET-UHFFFAOYSA-N	240.206	-0.814	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H](O)C1CCC1	1138284074	AYNOPGJKCBIACZ-SSDOTTSWSA-N	230.264	-0.934	50	10	BBGE	
O=C(COC1CC1)N1CC[C@@H](B(O)O)C1	1262160077	SMOPVCRZKUHEKB-SSDOTTSWSA-N	213.042	-0.759	50	10	BBGE	
O=C(Nc1cc[nH]n1)c1cccc(B(O)O)c1	1292462184	KMQNTYUHGJMHPH-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cc(CO)on1	1449272414	QKIJPFNAFZABJP-UHFFFAOYSA-N	229.192	-0.490	50	10	BBGE	
CCN(CCO)NC(=O)c1coc(C(N)=O)c1	1557199870	HBNCOSOBZNYZOT-UHFFFAOYSA-N	241.247	-0.663	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@H]1CCNC(=O)CC1	1570738699	LJWPGAFTMYNOEI-BDAKNGLRSA-N	243.307	-0.754	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1ccncn1	1583708112	NEZQVYUAXAXYCL-UHFFFAOYSA-N	237.263	-0.288	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)c1ncccn1	1585302149	NSQDPIMFKJXNCV-ZETCQYMHSA-N	238.247	-0.337	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)C(C)(C)O	1625362315	NECVWVZIPYWFKQ-UHFFFAOYSA-N	240.263	-0.740	50	10	BBGE	
C/C(Cl)=C/C(=O)NNC(=O)c1ncon1	1639768846	IDUGTQAASUUNOH-RQOWECAXSA-N	230.611	-0.027	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H]1CF	1888819529	VHSWEDCDQFUPSU-BWZBUEFSSA-N	203.261	-0.098	50	10	BBGE	
CC(C)(CO)CN1CC[C@@H](B(O)O)C1	1891537668	JUERHWFNJJJZET-MRVPVSSYSA-N	201.075	-0.446	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C(=O)CCl)C1	1891925868	ZUBMQJOOXIBDEE-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
N[C@]1(CNC(=O)[C@H]2C[C@H]2Cl)CCOC1	1893452985	JTGXTLHHEZDGJX-OOZYFLPDSA-N	218.684	-0.152	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCC1(CO)CO	1893470962	YGXNVBNGPIWIIM-RQJHMYQMSA-N	219.668	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]2CO)C1	1895940511	DSYOBUIJCWQNEY-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(C)CCCN1	1901339649	QYLSXWRMYFBIKT-VIFPVBQESA-N	249.336	-0.559	50	10	BBGE	
CNC[C@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901348415	IPLASBBSEWBLFK-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
OB(O)c1csc(OCC2[C@H]3COC[C@H]23)n1	1902197430	CXPFWLAWBHLSJZ-WDSKDSINSA-N	241.077	-0.906	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@H]2C[C@@H]21	1902419038	AJPSOWZZBHMODA-LPEHRKFASA-N	221.065	-0.303	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](OC)C[C@H]1CO	1906685132	HMIFMUOMEDPODF-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C[C@H](O)CCl)C[C@@H]21	1911061091	ONLOJAMGXYPDJC-GJMOJQLCSA-N	234.683	-0.279	50	10	BBGE	
C[C@H]1[C@H](Cl)CCN1C(=O)Cn1cnnn1	1914467908	NLDVKMSVWZCHRC-NKWVEPMBSA-N	229.671	-0.099	50	10	BBGE	
CN(CCOC1CC1)C[C@H]1C[C@@H]1C(=O)NN	1914550310	GQBXXVUZHSHLJZ-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)c1nc(CN2CCCO2)ns1	1928677409	ZHXNSKKFPKPLOB-UHFFFAOYSA-N	229.265	-0.721	50	10	BBGE	
COc1nsc(OC)c1CNC(=O)NN	1929636404	ZDNMWUUUPVGZEU-UHFFFAOYSA-N	232.265	-0.167	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(CO)C1	1929743836	VDGQHWNZNZQRNB-QMMMGPOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1csnn1	1930600530	GKFGHICBTGSVBT-LURJTMIESA-N	229.309	-0.262	50	10	BBGE	
N#CC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936093176	BKEJZFUXBPHLRB-VHSXEESVSA-N	222.292	-0.152	50	10	BBGE	
C[C@H](CN1CCOCC(C)(C)C1)C(=O)NN	1936981892	QCUCQJDPHRQLHA-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CN(C(=O)Cn1ccnn1)[C@@H]1COC[C@H]1Cl	1937146494	OSPDWMWUKHWMOQ-HTQZYQBOSA-N	244.682	-0.257	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1CC1(C(=O)NN)CC1	1938232386	JNMYKQOKNSNQDH-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1938362943	ZVIJMEDFNCAFGU-IONNQARKSA-N	230.312	-0.803	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1941081686	CDRCKSVGJYOZLJ-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@@H]2C[C@@H]2C1	1941780346	ORRVRFXKSNNQRY-JGPRNRPPSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1CC1(C(=O)NN)CC1	1945882477	INELGSRXLLAYBL-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@@H]1COCCO1)CC1(C(=O)NN)CC1	1945891260	FDVHCPZCRAZTGX-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1946223470	QPJWBZWTJUSIGT-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CO1	1951321699	CRHMWGZBHDCCIQ-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955233739	UFDYFXZFPYGTCX-NGJRWZKOSA-N	219.668	-0.168	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN([C@H](C)C(=O)NN)C1	1958494859	NZGYIHFOCWOZAV-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CON([C@H]1CCOC1)[C@H](C)CC(=O)NN	1960123224	BBMSYOYBTHPABG-SFYZADRCSA-N	217.269	-0.593	50	10	BBGE	
C[C@H](SCCOCCN)[C@H](C)C(=O)NN	1961087373	OBEJDMMCKUIKOB-YUMQZZPRSA-N	235.353	-0.291	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSCCN	1961178935	QOVXVNARDXCHGU-UHFFFAOYSA-N	229.309	-0.785	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC12COC2	1961512969	MXXXRUJWJURBHH-HTQZYQBOSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CCO2)C1	1961521160	SOURFURBKCPPPP-JGVFFNPUSA-N	213.281	-0.524	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]3C2)nc1	1961680084	PDLQDHCPEQPMOH-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1	1963489076	JMKYUTYAQJEXAL-PHIMTYICSA-N	249.075	-0.726	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC(CF)C1	1975103811	LIFYZEITUKQILC-UHFFFAOYSA-N	225.214	-0.097	50	10	BBGE	
CO[C@H]1C[C@H](N(C)CC(=O)NN)C[C@H]1OC	1979273722	OTAWCQAQTYZWJX-PSVAKVPMSA-N	231.296	-0.900	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(C(F)(F)F)C1	1980810221	VSNPZKSTOMIKFD-RXMQYKEDSA-N	241.213	-0.636	50	10	BBGE	
Cc1ccnc(N2CC[C@@H](F)C2)c1B(O)O	1981414140	OEQWZKZGCFNMOG-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
CO[C@@H]1[C@H]2CCN(CC(=O)NN)[C@@H]2C1(C)C	1984069867	RCGQZSLTWHDBPK-UJNFCWOMSA-N	227.308	-0.278	50	10	BBGE	
CN(C)C[C@@H]1C[C@@H](Cl)CN1c1nnnn1C	1984282867	GEFDVAPFCMLNTK-SFYZADRCSA-N	244.730	-0.042	50	10	BBGE	
CN(C)CCOC[C@H]1CC[C@H](C(=O)NN)C1	1985357839	TXULKVLESWYPCI-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CN(C)CCOC[C@H]1CC[C@@H](C(=O)NN)C1	1985357840	TXULKVLESWYPCI-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1COC2CC1C2	1986052795	DHFFMYGHFMXLCG-NFTFJBJSSA-N	227.308	-0.136	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2COCC[C@H]21	1989935110	GLCKQCFXTMQLAQ-OPRDCNLKSA-N	227.308	-0.278	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CCP(C)(=O)CC1	1990031817	DUJFOCAJCPIALR-UHFFFAOYSA-N	247.235	-0.410	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CNCC[C@@H]1CO	1991652698	QIKMEWQUFJCYRE-SFYZADRCSA-N	246.694	-0.605	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1(O)CCNCC1	1991704606	UUPMEACOJOXDTE-OWOJBTEDSA-N	246.694	-0.461	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)/C=C/C(=O)Cl)C1	1991705382	DINYKCPMAYSPDO-NSCUHMNNSA-N	246.650	-0.979	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)Cc1ncon1	1997754031	GCQJKJFBDNJTJM-QMMMGPOBSA-N	241.295	-0.094	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CC(F)(F)C(=O)NN)C2	2001040047	KAYIHWYNIQFSAM-CBAPKCEASA-N	249.261	-0.420	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](CCOC)COC	2001430113	XDIDBJZYVKLVRB-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](OCCO)C1	2003872555	OPEZYFVGJLZODL-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]([C@H]2CCCO2)C1	2004395844	GPSDWROOCJNVRA-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CC[C@@H]1[C@H](C)CCN1c1ncncc1B(O)O	2004916493	MCFQJAZZHHLLLM-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
CCOC1(C)CN(c2ccncc2B(O)O)C1	2004928213	BRRNFKVPXFNXET-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H](F)C2)c(F)c1	2005018048	NUNPCXKJIPADEI-MRVPVSSYSA-N	242.034	-0.161	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006198811	MVHGBCUYRPJHKN-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCN1C[C@@H](CO)C2(CCCC2)C1	2006546246	BVXSTMQVFCOVCG-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
C[C@H]1C[C@@H]1CCCOc1ncncc1B(O)O	2011656988	NHVRXVPKPXKXQP-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
COCC1(Cn2nc(C)c(B(O)O)c2C)CC1	2018934699	FCAHGBBJUDPPNI-UHFFFAOYSA-N	238.096	-0.394	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)nc(C)n1	2020061849	LMZZSPIAXYLTME-UHFFFAOYSA-N	235.052	-0.609	50	10	BBGE	
CCO[C@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	2020062688	UJPDNBOURHTXJX-UWVGGRQHSA-N	241.096	-0.124	50	10	BBGE	
C=C=CCCNC(=O)c1ccccc1B(O)O	2022197147	YDQHFLUGPMYZSM-UHFFFAOYSA-N	231.060	-0.173	50	10	BBGE	
CCC[C@@H](OCC1COCCOC1)C(=O)NN	2024301671	YYYOCZBAMORQGC-SNVBAGLBSA-N	246.307	-0.175	50	10	BBGE	
CC(C)(C)COC(=O)N[C@H](CB(O)O)C(=O)O	2024888015	LXVXHHOLPCALJP-ZCFIWIBFSA-N	247.056	-0.315	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)nc1	2052490593	CUGWFSXRJZOBON-BEKOTUFOSA-N	246.075	-0.420	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@H]1N(C)C	2052492959	WWOAKNZLQLNREU-MWLCHTKSSA-N	249.123	-0.852	50	10	BBGE	
C=CCNC(=O)NCCc1ccc(B(O)O)cc1	2058045898	HVZHIVQOCWXMLZ-UHFFFAOYSA-N	248.091	-0.606	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(C)c1B(O)O	2060032549	UGTXTRWZIDSMLD-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
OCc1cc(F)c(B(O)O)c(Cl)c1	2070872017	XVTNIRGRAAVIKL-UHFFFAOYSA-N	204.393	-0.349	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(CCCO)C1	2212352837	HWNUTMXMJOLZJH-ZJUUUORDSA-N	227.308	-0.683	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCSC1	2212602310	BPUUAUFBAFIWAY-VIFPVBQESA-N	238.121	-0.297	50	10	BBGE	
OB(O)c1cccnc1NC1CCOCC1	2212614462	DPSDYMCOMSWXAW-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
CC(C)=CCCn1cc(B(O)O)cnc1=O	2212717218	OFZPHNNQPBPESU-UHFFFAOYSA-N	222.053	-0.721	50	10	BBGE	
CN(C)CCCN(C)C[C@@H]1CC[C@H]1C(=O)NN	2215770838	DVLGVXYDARPILX-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
OB(O)c1cccc(OC[C@@]2(F)CCOC2)c1	2216335395	LPKYGIIYNWBXSA-LLVKDONJSA-N	240.039	-0.126	50	10	BBGE	
C[C@](CN)(Nc1cc(B(O)O)ccn1)C1CC1	2217180612	IORXBRPEBBGPES-LLVKDONJSA-N	235.096	-0.699	50	10	BBGE	
N[C@@H]1CCC[C@H]1COc1ccc(B(O)O)cn1	2217184613	QIMCOBFMZZQKCF-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
CCCN(Cc1cccc(B(O)O)c1)C1CNC1	2220061401	BRQBCPFXVKONDV-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
CCN[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220070234	RLXPTSVRFVKAIS-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccnc(-n2cnc3c2CCCC3)c1	2223610748	QFFVHUCUVVYKNF-UHFFFAOYSA-N	243.075	-0.174	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COCC[C@H]32)cc1B(O)O	2223652034	FVPJEANACXEWLR-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cnc(NC2([C@@H]3CCCO3)CC2)nc1	2223672721	BXFSIQMGSCHPDX-VIFPVBQESA-N	249.079	-0.720	50	10	BBGE	
O=C(NOCCF)[C@H]1C[C@H](B(O)O)C1	2241479553	ANCZHOYMQOTXQC-IZLXSQMJSA-N	204.994	-0.743	50	10	BBGE	
O=C(Nc1cnns1)[C@@H]1C[C@@H]1B(O)O	2241496507	TZIRSSPZEIBDMV-DMTCNVIQSA-N	213.027	-0.661	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cn1	2243356002	ABBWJCDKJAUZEZ-UHFFFAOYSA-N	219.993	-0.956	50	10	BBGE	
O=C(C#CB(O)O)N1CC=CCC12CCC2	2243361367	ADZIWPSUMWNIJD-UHFFFAOYSA-N	219.049	-0.287	50	10	BBGE	
C[C@H](O)C1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243381416	GEVDYBYXUDEWEL-BIIVOSGPSA-N	227.069	-0.731	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243390989	FBKHFUJCSCJSQJ-FXQIFTODSA-N	226.085	-0.813	50	10	BBGE	
Cc1ncccc1CNC(=O)C#CB(O)O	2243398843	HUKUMANZROSQSZ-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccc(B(O)O)s1	2243404050	IIOUJIZZXMGCOA-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
CCCN(OC)C(=O)c1nscc1B(O)O	2243409157	CBEWLAAMDVKLDQ-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
C[C@H]1CCOCCN1C(=O)C1(B(O)O)CC1	2243410984	LVTXYUJQQMWBCV-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N1CCC1	2243427270	SMJRKPLTQUMOFI-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
CCNC(=O)Nc1ncc(B(O)O)cc1F	2243564458	GMXSYKUJXNKJRP-UHFFFAOYSA-N	227.004	-0.958	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H]1Cl	2243713368	UXACTKSKHICWSO-WDSKDSINSA-N	240.455	-0.673	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2243769547	VHOHFFLWLFFODM-LYFYHCNISA-N	229.041	-0.924	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)[C@H](O)CC1	2243780291	PHGSPGOYLTVUAP-SRLPBZNGSA-N	247.678	-0.348	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cc(B(O)O)co2)[C@H]1C	2244221105	KAFHRADBUNZBPO-WDSKDSINSA-N	223.037	-0.656	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(CCCC(=O)NN)C2	2244317838	IWXBSRBRUITITL-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CC(C)C[C@H]1COCCN1C(=O)C#CB(O)O	2247743223	ASOGXWFHYBSRND-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
N[C@H]1CCN(C(=O)C2(B(O)O)CC2)CC1(F)F	2247754207	CSHXGTQMKGKFHX-LURJTMIESA-N	248.038	-0.812	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)C1(B(O)O)CC1	2247754627	GTLYZNPJOGMHEN-YIZRAAEISA-N	239.080	-0.608	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)cn2C)[C@@H]1C	2247757519	KBDJXYWGOGPIBN-HTQZYQBOSA-N	236.080	-0.815	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1ncon1	2247789974	DKQNOBPPKDJDPR-QYNIQEEDSA-N	239.040	-0.500	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1C	2247791897	PLLOPCGCBMFPBK-XSPKLOCKSA-N	239.080	-0.120	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247796644	BPKVRZYULWTKHN-XNWIYYODSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@]12CCOC[C@@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247800361	OELWELBOXXPYDN-FTYOSLGDSA-N	239.080	-0.465	50	10	BBGE	
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1B(O)O	2247805963	LOGSTZCSMMWXCW-RKDXNWHRSA-N	237.068	-0.759	50	10	BBGE	
CC(C)CN(C(=O)C#CB(O)O)[C@@H]1CCOC1	2247851169	DIAFAPIJKWQLBP-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
C[C@@]12CC[C@@](CNC(=O)C#CB(O)O)(CO1)C2	2247851675	IGCCZNIYPKTNRD-WDEREUQCSA-N	237.064	-0.923	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247855190	OOOJUBOCFFDMNO-HLTSFMKQSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1coc(B(O)O)c1	2247856708	MJVIZUXWXYACGL-XPUUQOCRSA-N	241.027	-0.468	50	10	BBGE	
CCNC(=O)CCNC(=O)C1(B(O)O)CCC1	2247880044	XUOVGSQZTXPDQD-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
O=C(NCCc1cnoc1)C1CC(B(O)O)C1	2247893521	UCXNPCDFBRHMGB-UHFFFAOYSA-N	238.052	-0.414	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894550	HZOMGNQAIHHWTP-ZKCHVHJHSA-N	237.064	-0.079	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898503	FCFVAZBHHAVOFK-FXPVBKGRSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@@H]1CCCOCC1)[C@@H]1C[C@@H]1B(O)O	2247899431	NHWPTOQBGBKWBH-BBBLOLIVSA-N	241.096	-0.218	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586239	XWXCTYYYBVDDFB-RULNZFCNSA-N	241.052	-0.924	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@H]1C2	2249423138	HXOYIIUCTFSRHO-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2249433749	PYMUHTSTTINNIA-YUMQZZPRSA-N	233.032	-0.640	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(F)(F)C[C@H]1CO	2250180313	XAKMPXIBUBHQLM-ACZMJKKPSA-N	249.022	-0.922	50	10	BBGE	
CC1(C)CN(C(=O)Nc2cc(B(O)O)ccn2)C1	2254040718	OIEJKHFIUNCKSW-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1F	2255501584	CIAYGDIQCDLJSL-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(F)ccc1B(O)O	2255501786	DXLQSDFCDGUXAT-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
C#CC1CN(C(=O)c2cc(B(O)O)ccc2C)C1	2255512290	XPDOZXWQTVBUBS-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1ccccc1B(O)O	2255908826	MEEKTBUWQXHBFE-SECBINFHSA-N	246.075	-0.100	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1nccnc1B(O)O	2256056785	LSBOENCQYFCNOL-MRVPVSSYSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)ccc1C(=O)O	2256919036	UIGZOUIGBDSHJQ-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1CC[C@@H]1C	2257491236	LFJSZPAFBYJKPX-OIBJUYFYSA-N	248.091	-0.402	50	10	BBGE	
CC(C)[C@@H](N)CCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377381	OKYICBVIBLFQJT-BBBLOLIVSA-N	242.128	-0.319	50	10	BBGE	
CCN(CC)C(=O)CN1CC[C@@](C)(B(O)O)C1	2303098448	XYAAIWQCPZSMJW-LLVKDONJSA-N	242.128	-0.206	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@@H]1F	2303834611	IXHZCNDOFOGWHW-MUWHJKNJSA-N	242.034	-0.305	50	10	BBGE	
CC[C@](C)(N)COc1cc(B(O)O)c(F)cn1	2303852160	JLXUOQCFLSDJEY-JTQLQIEISA-N	242.059	-0.593	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1CC[C@@H]2C[C@H]12	2308622682	UXBNKQFQQIYDRD-VGMNWLOBSA-N	246.075	-0.254	50	10	BBGE	
CNCCSS(=O)(=O)CCNC	1579500	OMFGLVLQXPQVID-UHFFFAOYSA-N	212.340	-0.512	50	10	BBGE	
O=S(=O)(NCCCCl)N1CCOCC1	34959254	JHQPDBLBBWLGHO-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
CC(C)(CO)NC(=O)CCCC(=O)NN	58845045	YVTPCGQNSASDJA-UHFFFAOYSA-N	217.269	-0.966	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C1	82468677	QRDUFAYWFCMXQG-JGVFFNPUSA-N	201.270	-0.933	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)C1CC1	82470828	BZFMEHWKQKCEPL-QMMMGPOBSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cc(C(N)=O)cn1	86313802	HJLBEPKLIOKYEO-NTSWFWBYSA-N	225.252	-0.831	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CC(=O)NC(C)C	110591264	BHLUAMLAUZVDBP-VIFPVBQESA-N	244.339	-0.399	50	10	BBGE	
NNC(=O)c1cc(C(=O)NN)c2ccccc2n1	113684632	GPIYWNZCXDTMQT-UHFFFAOYSA-N	245.242	-0.558	50	10	BBGE	
Cn1c(SC[C@@H](Cl)C(=O)O)n[nH]c1=O	132986755	XXFFROZZOXIVIQ-GSVOUGTGSA-N	237.668	-0.108	50	10	BBGE	
NNC(=O)c1cc(COC2COC2)on1	165767963	AFPYHCOAONBVDE-UHFFFAOYSA-N	213.193	-0.807	50	10	BBGE	
C[C@]1(O)CCN(CCCC(=O)NN)C1	235713438	XJGAVUPFAFOMMF-VIFPVBQESA-N	201.270	-0.787	50	10	BBGE	
CS(=O)(=O)Nc1cc(Cl)cc(B(O)O)c1	238371717	KCYHYOZSQMNBOS-UHFFFAOYSA-N	249.484	-0.609	50	10	BBGE	
C[Si](C)(C)OC(=O)CNC(=O)CN	238530163	QEUFQSJMGLYLCN-UHFFFAOYSA-N	204.302	-0.561	50	10	BBGE	
COC[C@H](C)N(C)[C@@H](C)[C@H](C)C(=O)NN	252612178	WFKMVBVTUPQZLZ-CIUDSAMLSA-N	217.313	-0.032	50	10	BBGE	
Cc1nc(O)nc(O)c1C=NNC(N)=O	254900738	CNCWSOZGAGFUDB-UHFFFAOYSA-N	211.181	-0.802	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ncccn2)CS1	265758917	BTGQCGDKMMRALW-RXMQYKEDSA-N	239.260	-0.255	50	10	BBGE	
OB(O)c1cc(O)c2c(F)cc(F)cc2n1	380499204	CYJSEGZHGPPNAP-UHFFFAOYSA-N	224.959	-0.102	50	10	BBGE	
OB(O)c1cncc(OCC[C@H]2CCOC2)c1	400948089	VOBMTUMAGDOFOA-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
C[S@](=O)Nc1cc(B(O)O)ccc1Cl	404890179	XMWBQSVVKAVTTC-AWEZNQCLSA-N	233.485	-0.275	50	10	BBGE	
CN1CC(=O)N(C[C@H](Cl)C#N)C(=O)C1	606283931	AROFKUQQYVQICX-ZCFIWIBFSA-N	215.640	-0.582	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](C)CO	688393695	AKZJUAPYLISEIB-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@H](C)O1	689158383	BQNLENKWTZPCTE-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@]12CCC[C@H]1C2	693137561	MEBMWBDKBYLWFH-QPUJVOFHSA-N	246.075	-0.110	50	10	BBGE	
O=C(NCCCl)[C@H]1CCCS1(=O)=O	694681934	ARAOIIAFCBPMKR-ZCFIWIBFSA-N	225.697	-0.081	50	10	BBGE	
CO[C@@H]1CN([C@@H](CC(C)C)C(=O)NN)C[C@H]1O	695096522	AUNGURQJZCWKQI-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
CCOC[C@@H]1CCCN1[C@@H](C)C(=O)NN	702799027	YHJHAZHDVALLNP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN([C@H]2COCC[C@@H]2O)CC1	704254511	QPDHWUVALROWLX-UWVGGRQHSA-N	226.276	-0.513	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1ccnc(B(O)O)c1	704344663	YDEKCVZLKZSHLR-WRWORJQWSA-N	234.064	-0.254	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCOC[C@@H]1O	706727199	LWNBKCAJXPUWQH-RITPCOANSA-N	229.685	-0.748	50	10	BBGE	
CCOC(=O)N1CCc2ccc(B(O)O)cc21	712947926	FPNXIQPQJYUQIT-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CS(=O)(=O)N1CCC(F)(F)[C@@H](N=C=O)C1	717845174	ICUDUSIHEZRZOH-LURJTMIESA-N	240.231	-0.009	50	10	BBGE	
C#CCC[C@H](O)CNS(=O)(=O)CCCl	717912408	IKXVWLJOQXPKLL-QMMMGPOBSA-N	239.724	-0.081	50	10	BBGE	
CCCOC(=O)NCc1cnc(B(O)O)s1	718815880	ZSLHQZANMPWMGN-UHFFFAOYSA-N	244.081	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@@H](C)CC1	720468998	AHTLXDIUHADSLP-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C#CC(C)(C)C)nn1	855185056	JMSPFPMBYQWMBS-UHFFFAOYSA-N	249.274	-0.374	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)C(=O)OC	908114464	ITJXVTMQWJDYLO-XSIKTDMUSA-N	202.210	-0.347	50	10	BBGE	
Cc1ncc(C=NNC(=O)c2cn(C)nn2)n1C	1118529857	VHIURPCTEJUKDT-UHFFFAOYSA-N	247.262	-0.379	50	10	BBGE	
OB(O)c1cscc1CN1CCO[C@@H]2C[C@H]21	1231954006	ORGGDFVYWHXJKQ-NXEZZACHSA-N	239.105	-0.599	50	10	BBGE	
C=CC(C)(C)C(=O)NNC(=O)[C@H]1COCCO1	1524183964	VKCQSWYJYXVDBV-MRVPVSSYSA-N	242.275	-0.239	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cnnc(O)c1	1556548184	GNLJIURFNVOCQE-UHFFFAOYSA-N	226.192	-0.475	50	10	BBGE	
CC(C)CC(=O)NN(CC(=O)O)CC(=O)O	1858081490	OIQGDVANJIOWEK-UHFFFAOYSA-N	232.236	-0.465	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCC[C@H](O)CO	1882383792	XTYHFHAYFSNDTJ-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@]1(C)CCOC1	1888042861	LHVPMBRDZLREPR-CBAPKCEASA-N	202.254	-0.050	50	10	BBGE	
C=C(CN1CC(CF)(OC)C1)B(O)O	1895111379	GDDUDLABGKUOMI-UHFFFAOYSA-N	203.022	-0.775	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C[C@]1(C)OC	1897745177	LKTIHCMSIDIGPV-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
O=C(c1ccnnc1)N1CC[C@H](B(O)O)C1	1902522090	NAXFATACEDWLOD-QMMMGPOBSA-N	221.025	-0.835	50	10	BBGE	
N[C@@H]1COCC[C@]1(NC[C@@H]1C[C@@H]1Cl)C(=O)O	1904222320	KWKDQIXMJOLXDY-QHOPCYEYSA-N	248.710	-0.226	50	10	BBGE	
NNC(=O)COCCOC1CC2(CSC2)C1	1905317627	AUQFCYWUGFMERF-UHFFFAOYSA-N	246.332	-0.095	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@@H]2CCCOC2)O1	1908717851	AFTOSCIDXFYSSZ-BBBLOLIVSA-N	244.291	-0.281	50	10	BBGE	
CC(=CCNC(=O)NN(C)C)C(=O)O	1911728828	BJBMWKJJKOIKKR-UHFFFAOYSA-N	201.226	-0.207	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CCC[C@@H]21)C(=O)NN	1912296602	KRXVEHLTWOVPJJ-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)C1COC1	1923231426	YJKAVPXASUFMAI-RXMQYKEDSA-N	213.686	-0.068	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)C1CCSCC1	1928375305	SKQKBEXWWLMSHJ-LURJTMIESA-N	231.321	-0.376	50	10	BBGE	
OC[C@H](O)[C@H]1COCCN1CCCCl	1928574423	WBKAVADXJACTDT-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
O=C(CCCl)N[C@H](CO)CCCO	1928819282	XNPXDCFROIIPMH-ZETCQYMHSA-N	209.673	-0.135	50	10	BBGE	
N#Cc1cccc(C(=O)NNCCO)c1	1929834757	HHCUKAPCGSFGJR-UHFFFAOYSA-N	205.217	-0.215	50	10	BBGE	
O=S(=O)(N[C@H]1COC[C@H]1Cl)N1CCC1	1929938220	DBZCAIKXHOJNSN-RQJHMYQMSA-N	240.712	-0.467	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)C[C@@H]1C	1929940320	YMUMRYXOBSHLHA-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](O)(CC)C1	1930889476	GTNQVXRBMQRYDH-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CO)CC1	1931265529	RBGNATNHUBWEQG-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC12CCCC2	1933035394	MKLIFIGWBYZOIG-SSDOTTSWSA-N	211.265	-0.327	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)CC1(C)C	1934004193	LRAAXTITPVDANA-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
CN(C)CCCN(C)CC(F)(F)C(=O)NN	1935932283	QBVLKONVPPMSIJ-UHFFFAOYSA-N	238.282	-0.505	50	10	BBGE	
CN(CC1CC(O)C1)C[C@@H]1C[C@H]1C(=O)NN	1936087813	GYJQNCMXDKBWCT-RVXWLBMTSA-N	227.308	-0.685	50	10	BBGE	
CN(C(=O)Cn1cnnc1)[C@@H]1COC[C@H]1Cl	1937145308	JLWBTXRPBDGCRS-HTQZYQBOSA-N	244.682	-0.257	50	10	BBGE	
CN(CCCCC(=O)NN)CC(F)(F)CO	1938127330	LDJZOMNYLJDNIE-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
COC[C@@]1(OC)CCN(CCC(=O)NN)C1	1938620334	GRVBMOFYQOEFEV-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C(F)(F)C12CCCC2	1938927634	HWXREXDBEBJDMD-ZETCQYMHSA-N	233.218	-0.330	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H](C2CC2)C1	1940889141	AWMJEYPDRQADDZ-QMMMGPOBSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](O)C2(CC2)C1	1944604210	ONNRIARGOWUXCO-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@]1(C)CO	1945883352	XRWVDICJIOKLGL-KOLCDFICSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1COCCCO1	1948400917	QCENRPVTGAIAAC-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2(F)F)C(=O)NN	1959160125	CQGYANQFLBCTBY-CAHLUQPWSA-N	221.207	-0.217	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12COC[C@@H]1C2(F)F	1959175460	ZDNKIVATJLEUOA-BBIVZNJYSA-N	237.231	-0.868	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CCF	1961718834	UNUGBONUJHTIJQ-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
NNC(=O)c1cc(CSC2CNC2)on1	1975142144	DXTIIZRWYZKBMJ-UHFFFAOYSA-N	228.277	-0.517	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1nc(C(=O)NN)co1	1975983163	SIXBDWJZWXVXGQ-RXMQYKEDSA-N	224.220	-0.601	50	10	BBGE	
CN(Cc1cnco1)CC(F)(F)C(=O)NN	1977384923	CFEPQLZILBTAQC-UHFFFAOYSA-N	234.206	-0.268	50	10	BBGE	
COC[C@H]1CCCN1c1nc(B(O)O)cs1	1981469584	VIRYULLZNYFNFM-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	1988182005	ZDUQDFIEYRALKB-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CCON(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	1990165259	WSPYDOLBFNYBEO-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
O=S(=O)(CC1CCCC1)NCC=CB(O)O	1991326791	KQPKQGHMMGJBKR-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
COCCN1C[C@H](O)[C@@H](NC[C@@H]2C[C@H]2Cl)C1	1991436794	BGRSBSPXSGCAMU-VLEAKVRGSA-N	248.754	-0.105	50	10	BBGE	
OB(O)c1cnc(-n2cc(F)cn2)c(F)c1	1992090858	YYUXLFULXKALFV-UHFFFAOYSA-N	224.963	-0.775	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1[C@H]2CCCC[C@H]21	1992135767	UUQMRMGWNJXSFB-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H](CN1Cc2cncnc2C1)C(=O)NN	1994943932	ZWWZXTOMIGBNTD-ZETCQYMHSA-N	221.264	-0.582	50	10	BBGE	
CN(CC(=O)NN)Cc1ccc2nccn2c1	1997440883	RJKKWQKXRPRZJN-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
CN(C)NC(=O)N1CCC(O)(CC(=O)O)CC1	1997999621	QSJOFNZAZWCANQ-UHFFFAOYSA-N	245.279	-0.526	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@]2(CCOC2)C1	2002822021	GNPPMMPUUUJBAF-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1[C@H]1CCCN1C	2004364543	JHPLMDGDBFSYCT-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1ccncc1B(O)O	2004940143	URWMWSGVNGHANV-VIFPVBQESA-N	232.092	-0.002	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](CF)C2)n1	2005017143	AHXWYURNLXNXTA-QMMMGPOBSA-N	239.059	-0.739	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1[C@@H]2CCO[C@H]21	2007575296	XMZGKLCUPYIZFG-LADJIXMOSA-N	241.335	-0.032	50	10	BBGE	
CC[C@H](COc1ccc(B(O)O)cn1)N(C)C	2008532210	VLEVVOXHGGWATQ-SNVBAGLBSA-N	238.096	-0.520	50	10	BBGE	
CC[C@@H](C(F)F)N(C)c1ncc(B(O)O)cn1	2009012518	NWTWMIHHBYDASP-ZETCQYMHSA-N	245.038	-0.364	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc(C(F)(F)F)n1	2009572819	ABMCRBQCUJZHGJ-RFZPGFLSSA-N	249.196	-0.077	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)cc1	2011371343	BHFHBPFHARLOEM-GZMMTYOYSA-N	235.287	-0.145	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC(O)C[C@H]2C1	2012897245	ALRKAIFYTLPELJ-ATZCPNFKSA-N	241.335	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H](OC)C1	2014053864	QHRYPAIWEVSEMR-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC2(CCCCC2)O1	2015541208	OANOSSHXBKCNPH-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@H]1C(C)(C)C	2017160981	ODANKXYUNPZWQJ-HTQZYQBOSA-N	243.307	-0.362	50	10	BBGE	
COC[C@H]1CN(CC(=O)NNC(C)=O)C[C@@H]1C	2019206913	ARDRBOPOKVWBBC-WCBMZHEXSA-N	243.307	-0.632	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]2COC[C@@H](C2)C1	2026031625	TVZZMKBUZCEMNJ-RTCCRHLQSA-N	241.335	-0.029	50	10	BBGE	
CCCc1nccn1-c1nc(C)ncc1B(O)O	2052608464	JDTIKWMEIBMEAV-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2069651628	VXBJWLKIOORDNJ-GZMMTYOYSA-N	249.075	-0.413	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1	2079008084	DPYSUIZFYCZCEH-MNOVXSKESA-N	249.075	-0.726	50	10	BBGE	
O=C(NCc1cn[nH]c1)c1ccc(B(O)O)cc1	2079010855	VFZFKJUFALRVGZ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CCC=CCCOc1ncncc1B(O)O	2211605344	XVUDTSDJWYNHGT-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC(C)(C)O	2211827442	HMONARJYOIOROQ-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@@H](CN)Nc1ccc(B(O)O)cn1	2212601043	HUHUMXDVFBHWDC-VIFPVBQESA-N	223.085	-0.699	50	10	BBGE	
NC1(CNc2ncccc2B(O)O)CCC1	2212601619	QLHMQVMMVMYGPL-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCSC2)nc1	2212610412	IIBHFRBUIWYBKS-QMMMGPOBSA-N	239.109	-0.536	50	10	BBGE	
CC1=C(C)CN(c2ncc(B(O)O)cn2)C1	2212613803	YPICUSDYCGARBW-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C1CNC1	2214594516	GURKDPPEJFCMJX-UHFFFAOYSA-N	234.108	-0.840	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Oc1ccc(B(O)O)cn1	2217166822	JIRVTVRYHKJQIL-ZJUUUORDSA-N	236.080	-0.590	50	10	BBGE	
C#C[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217178077	RDQRBSFCUOSEER-MWLCHTKSSA-N	230.076	-0.025	50	10	BBGE	
CN[C@H]1C[C@H](Oc2cc(B(O)O)c(C)cn2)C1	2217182553	FBMIMHIBEZQUAI-KYZUINATSA-N	236.080	-0.801	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2217196109	CSQPLEGVGQFHIF-MWRVJPDDSA-N	230.076	-0.172	50	10	BBGE	
NCCC1CC(Nc2cc(B(O)O)ccn2)C1	2217197881	SLGOJHZMPXGTON-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CC[C@H](C1)N2	2223632366	ITGXQBISCMEAMP-ILWJIGKKSA-N	247.107	-0.544	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2C[C@H]2C2CC2)[nH]c1	2223645276	UXUKOLCCVWSMDN-KOLCDFICSA-N	247.107	-0.574	50	10	BBGE	
Cc1cnc(N2CC[C@@H](CC#N)C2)cc1B(O)O	2223647879	DMDHAIDYUMUXQE-SNVBAGLBSA-N	245.091	-0.190	50	10	BBGE	
NNC(=O)CN1CCSC2(CCC2)C1	2241221889	LSINKUGZMZUJTR-UHFFFAOYSA-N	215.322	-0.052	50	10	BBGE	
COC[C@@]1(C)C[C@H]1C(=O)NNC(N)=O	2241600668	TWWHURBWJZGTIB-YLWLKBPMSA-N	201.226	-0.642	50	10	BBGE	
C[C@H](O)CN(CCN)C[C@@H](Cl)C#N	2241657719	BACIVMFFYKPZHB-YUMQZZPRSA-N	205.689	-0.241	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1coc(B(O)O)c1	2243348467	YAKKIAYPQPKFII-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)N1	2243366202	YQTUOJCQPHNZPB-OCAPTIKFSA-N	226.085	-0.798	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C#CB(O)O)[C@H]1C	2243399975	TWYJKCCDYGNLCP-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
Cn1cnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2243416952	OTWFIYCAVUHYCM-OLQVQODUSA-N	224.029	-0.993	50	10	BBGE	
O=C(CCO)Nc1ccc(Cl)cc1B(O)O	2243687574	YMJDHNPWUUMHPI-UHFFFAOYSA-N	243.455	-0.659	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCN1C	2247736316	UTXBNNWPYKHSQK-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(C#CB(O)O)NC1(CO)CCCCCC1	2247739740	AQSVJWDXTDTUQE-UHFFFAOYSA-N	239.080	-0.797	50	10	BBGE	
CCCC1CN(C(=O)c2ccoc2B(O)O)C1	2247747052	IKLPSWKDWIKOQH-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
Cc1cc(C(=O)N2CCOC2)ccc1B(O)O	2247751743	BMGPYIYUAYEENE-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CCN1	2247759020	YFBFVBAKCZZYLH-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
O=C(Nn1cccc1)c1cccc(B(O)O)c1	2247775184	IJFDKGZZXIKQML-UHFFFAOYSA-N	230.032	-0.448	50	10	BBGE	
CCOC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247801021	WCHUQKIVZAPRDZ-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
NC1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247807334	QORRUIYDSAZDIN-RBXMUDONSA-N	238.096	-0.955	50	10	BBGE	
C[C@@]1(CCO)CCN(C(=O)C2(B(O)O)CC2)C1	2247871503	CFEZGBYGLGOGMM-JTQLQIEISA-N	241.096	-0.386	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC(F)C1	2247874114	JCEJHDYCHRPCHK-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
CCN1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247878193	IFINLMVNMBYYBL-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC[C@H](C)N(C)CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247895807	VLVKLZABOOZUHK-IVZWLZJFSA-N	242.128	-0.304	50	10	BBGE	
CN1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C(C)(C)C1	2247895921	VYEXXKGYOCKCDZ-YIZRAAEISA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247909770	LMLMYNIBAKVTSX-CVPUBMOQSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1CC[C@H](COc2ncncc2B(O)O)C1	2248026170	MVFJLRPIMYGCRP-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1cocc1B(O)O	2249412625	YRDUPUMYBYYKLD-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC12CCC2	2249421549	ITBCTZAXPVJABL-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2cc(B(O)O)co2)C1	2249427598	ISPAELDCONPSBT-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CO[C@H]2C3)c1	2249621142	KFDAATNADZUOIA-JEZHCXPESA-N	234.064	-0.649	50	10	BBGE	
C[C@@H](C(=O)NCCC#CB(O)O)[C@@H]1CCCO1	2249999584	XGWIAIYFTFPYBN-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
OB(O)c1cnn(CCCc2ccncc2)c1	2250407642	YZMHVHSJNZXFPS-UHFFFAOYSA-N	231.064	-0.409	50	10	BBGE	
CCC1(OC[C@@H]2CC[C@H](C(=O)NN)O2)COC1	2250791847	PDRGJCGRGURHKR-DTWKUNHWSA-N	244.291	-0.281	50	10	BBGE	
CC(C)(C)C1(OCCOCC(=O)NN)COC1	2250822210	ITLBPNCJPAOECG-UHFFFAOYSA-N	246.307	-0.175	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ccncc1B(O)O	2255454482	WSOSYVPDZVHTRU-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1coc(B(O)O)c1	2255457278	AGQVHKBNTCZNJF-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
O=C(NCc1nccn1C1CC1)C1(B(O)O)CC1	2255483347	CKHIQVGSLOEYLD-UHFFFAOYSA-N	249.079	-0.159	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1	2255513062	KPPVBZUYWZDWBV-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255518811	PAARVVDAMCMTGK-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
CN(Cc1cncnc1)C(=O)C1CC(B(O)O)C1	2255569413	VYINUTPSITVXLJ-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccccc1	2255571615	QHBUGIJMNJVMOF-OUAUKWLOSA-N	248.091	-0.335	50	10	BBGE	
CC(C)n1ccnc1CN(C)C(=O)C#CB(O)O	2255673178	OHYGUUQIDMWELH-UHFFFAOYSA-N	249.079	-0.562	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1nc(C)ccc1B(O)O	2255690848	IMCVZUUJAYQORT-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2cncc(B(O)O)c2)C1	2255710464	LBKGUVVNZDFDEO-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@H]1C2	2258126389	DLHGHPZJAMGHQT-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CC[C@H]1O	2298165853	CHUMLDDJGSLQDS-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCCC[C@H]2C[C@@H]1CO	2298232454	CDWGTWRCHKTLSX-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)[C@H]1C[C@H]1B(O)O	2298369386	SJMDQJHFLPVMBY-IWSVPVBZSA-N	239.080	-0.875	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298377426	QJGXRJIIWUYDSM-SGIHWFKDSA-N	241.096	-0.077	50	10	BBGE	
NC1CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2301419690	SVTHAKZOKMSOBP-UHFFFAOYSA-N	234.064	-0.920	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)C2(O)CC2)c1	2301850161	GUDTWZDLAHQDSJ-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303110813	DGQOUXIMKVQHIC-IQJOONFLSA-N	241.096	-0.266	50	10	BBGE	
C[C@H](O)CN(C(=O)C#CB(O)O)C1CCCC1	2303321014	JCLNKQGHZBYKKX-VIFPVBQESA-N	239.080	-0.846	50	10	BBGE	
C=CC[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2303967800	RPYWTQKYALHNSF-SGIHWFKDSA-N	239.080	-0.443	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1ccc(B(O)O)o1	2312856749	OMGUSNCCZWASRA-CIUDSAMLSA-N	249.075	-0.122	50	10	BBGE	
CS(=O)(=O)CCNC(=O)NC(=O)CCl	37751112	SQTLVQPPQDZQLI-UHFFFAOYSA-N	242.684	-0.904	50	10	BBGE	
CO[C@H](CCl)c1c[nH]c(=O)[nH]c1=O	64348919	IBEOHNJVKMQYEE-RXMQYKEDSA-N	204.613	-0.011	50	10	BBGE	
CN(CCCl)C(=O)CS(C)(=O)=O	69717198	HLSGULUNVLXZKS-UHFFFAOYSA-N	213.686	-0.272	50	10	BBGE	
CCOC(=O)N1CCN(C(=O)NN)CC1	71519627	KZMNNNTWKPUJDI-UHFFFAOYSA-N	216.241	-0.656	50	10	BBGE	
CN(C)[C@@H]1CCc2c(nc(C(=O)NN)n2C)C1	75848645	VQLUXMSSVXEZKC-SSDOTTSWSA-N	237.307	-0.558	50	10	BBGE	
NNC(=O)CCCn1c(=O)oc2cccnc21	88397228	MPXIUXGGQJTZLG-UHFFFAOYSA-N	236.231	-0.240	50	10	BBGE	
CNC(=O)C1CCN(C[C@@H](C)C(=O)NN)CC1	110592994	CEBXQDMRFOKZOL-MRVPVSSYSA-N	242.323	-0.930	50	10	BBGE	
O=C(O)CCNS(=O)(=O)CCCl	164181851	YWDGORYQDNMNFS-UHFFFAOYSA-N	215.658	-0.381	50	10	BBGE	
CO[C@@H]1CCN(CCCC(=O)NN)C1	234824635	SJEPWZXFVTZLCA-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)C[C@@H](N=C=O)C(=O)NCC(=O)O	238141713	UBOAHRHNATVNRC-SSDOTTSWSA-N	214.221	-0.062	50	10	BBGE	
N#Cc1ncc(Br)cc1B(O)O	238615387	FGZUUWCEGAPUND-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
OB(O)c1csc(CN2CCOCC2)c1	238658164	OTZQAIKPCLQJNK-UHFFFAOYSA-N	227.094	-0.740	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@](C)(O)C1	253080306	VJCJYNYLTOEUQK-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
CN1CCC[C@H]([C@@H](N)CC(=O)NN)C1	259113837	RHJSMJJKHBVPSP-YUMQZZPRSA-N	200.286	-0.965	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)[C@H]1CCCO1	294034599	UTVVXDJXTZKQOO-SSDOTTSWSA-N	225.248	-0.137	50	10	BBGE	
CCNC(=O)CS[C@H](C)[C@@H](C)C(=O)NN	300827358	JUDOKHMQNJQKJB-RNFRBKRXSA-N	233.337	-0.130	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@](O)(CO)C1	306170444	SDGWCQJPXCTOCC-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
Cn1nnc(Br)c1C(=O)NN	306485570	NUAJJXZNBNRCBI-UHFFFAOYSA-N	220.030	-0.819	50	10	BBGE	
NNC(=O)C[C@]1(C(=O)O)CC[C@H](O)CC1	308673692	CGJPWZGBJJWHOX-JOTVFPGJSA-N	216.237	-0.628	50	10	BBGE	
CC(C)[C@H](N)[C@H](C)N1CCC[C@@H]1B(O)O	308979954	RVRINQYEDJMMIP-AEJSXWLSSA-N	214.118	-0.165	50	10	BBGE	
CCC[C@H](C)NNC(=O)[C@@H]1COCCN1	309839192	NPHZQXWMOJWBCW-IUCAKERBSA-N	215.297	-0.216	50	10	BBGE	
CCN(CCOCCO)CC(C)(C)C(=O)NN	379724729	QORZIVHRQQQORQ-UHFFFAOYSA-N	247.339	-0.667	50	10	BBGE	
CCC[C@@H](NC(C)C)C(=O)NNC(=O)CO	381382376	LQJMDGGYRQLIQA-MRVPVSSYSA-N	231.296	-0.707	50	10	BBGE	
COCCOCCN(C)[C@H](C)[C@H](C)C(=O)NN	383247423	FOBUPQSBLNIFIK-VHSXEESVSA-N	247.339	-0.404	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@@H](N)C1)c1ccccc1	384334624	QNXCVHBUNCUJNH-VXGBXAGGSA-N	248.330	-0.207	50	10	BBGE	
C[C@H](CCl)C(=O)NCc1nnn(C)n1	398027807	BGFDTPJDYZDMHV-RXMQYKEDSA-N	217.660	-0.299	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)[C@@H](CC)CO1	403845203	UUBMEOVALJWWIO-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CSCC(=O)NCc1ccccc1B(O)O	404930440	CVJCYQQKYDFEDB-UHFFFAOYSA-N	239.105	-0.654	50	10	BBGE	
CC(C)C(=O)NCc1cccc(B(O)O)c1	405000581	MARMKUNOASUDBD-UHFFFAOYSA-N	221.065	-0.361	50	10	BBGE	
CC[S@@](=O)Nc1ccccc1B(O)O	405108855	AZBXIDAOEMAQDV-CQSZACIVSA-N	213.067	-0.538	50	10	BBGE	
O[C@@H]1COC[C@H]1n1cc(CCCl)nn1	669381779	VBIRWEUMKLJFNW-HTQZYQBOSA-N	217.656	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCSC[C@@H]1CCO	689852618	WAMHSQSKUZYWBN-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
CO[C@H](CN)CC(=O)N1CCC(O)(C#N)CC1	692131726	IKFQYBHTBZETHL-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
CCN(CCCCC(=O)NN)C[C@H](C)O	692168743	IWDONCAUCMSEGC-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
Cc1nn(CCCn2ccnc2)c(C)c1B(O)O	694229468	PZKBNEXNZMDIJZ-UHFFFAOYSA-N	248.095	-0.533	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1COC2	695050319	UKJIFUTZYUOAFF-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(COC2)C1	697144953	SRYNNZBWFCVNPV-VIFPVBQESA-N	227.308	-0.277	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)C(=O)NN)s1	697793189	SEDJVEPGKHXDPD-RXMQYKEDSA-N	229.309	-0.343	50	10	BBGE	
O=S1(=O)CC(Cn2nnnc2CCl)C1	701893895	JXZSTBIDOLHOAJ-UHFFFAOYSA-N	236.684	-0.544	50	10	BBGE	
CN1C[C@@H]2CN(C(=O)NC(=O)CCl)C[C@H]2C1	705666618	HRHXPLLJRXBXID-HTQZYQBOSA-N	245.710	-0.045	50	10	BBGE	
C[C@@H]1CCN1C[C@@H]1CC[C@H](C(=O)NN)O1	706913903	HOKBYYLORYGSSG-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
N#CC1(O)CCN(c2nccnc2N)CC1	709356317	NHXFWAWGOURPEL-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H](O)[C@H](C)O	717357794	XFWFBJQMPUYEMQ-DSYKOEDSSA-N	209.673	-0.281	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)Nc2cccc(B(O)O)c2)C1	718524833	HOEYXLGHMVVELZ-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
C[C@H](O)C1CN(S(=O)(=O)CCl)C1	719932192	JUJIAKUJINKRGR-YFKPBYRVSA-N	213.686	-0.175	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)C(C)(C)O	832749691	LTFNOFQNCOBPMG-LURJTMIESA-N	213.237	-0.546	50	10	BBGE	
Cn1cc(C(=O)NN=C2CCN3CCC[C@@H]23)nn1	853386007	RFROHSPVXIYBRE-JTQLQIEISA-N	248.290	-0.231	50	10	BBGE	
N#C[C@H](CCl)[C@H]1CC[C@@H]2NNC(=O)N2N1	953054856	VHKSHXYCKWNNRY-RRKCRQDMSA-N	229.671	-0.112	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](C1)O2	1260932309	OAJVCJNVRWJIRD-OLQVQODUSA-N	211.670	-0.014	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC23CC3)N1	1329079215	VNUNFORNSDXSIU-NKWVEPMBSA-N	237.259	-0.788	50	10	BBGE	
Cn1cncc1C(=O)NNC(=O)c1ccnnc1	1643024651	NATJIJHBCARMSH-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCCl	1866337524	XRXNFKQILQLJHT-RITPCOANSA-N	221.640	-0.338	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Br)C(N)=O	1877334451	PMYJSFBMNNWGAV-LMVFSUKVSA-N	235.081	-0.240	50	10	BBGE	
CN(N)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C	1880054360	MWLWGCLGGATGPP-ZETCQYMHSA-N	247.295	-0.406	50	10	BBGE	
N[C@H](CO)CNC(=O)[C@H]1C[C@H]1Br	1881353871	OPFKTDNGNIOHGV-HCWXCVPCSA-N	237.097	-0.794	50	10	BBGE	
O=S1(=O)CC(CNCC#CCCl)C1	1881932068	IADDWHLUVFYWJR-UHFFFAOYSA-N	221.709	-0.137	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CNOC1	1883647973	SWQUFIUNDWLSMB-WYPBCBNTSA-N	204.613	-0.672	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@H]1[C@H](O)CO	1885377690	DZNQKBNKCFDESG-XHNCKOQMSA-N	218.684	-0.065	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](NC[C@@H]2CCO2)C1	1888490809	GDTUFGQUPOHAQM-RNJXMRFFSA-N	239.724	-0.231	50	10	BBGE	
O=S(=O)(CCOCCCl)N1CC(O)C1	1889160113	WYRMBPFWZUHZFJ-UHFFFAOYSA-N	243.712	-0.752	50	10	BBGE	
CCOCCCN1CC[C@@H](B(O)O)C1	1891490729	FNBKNGWSDNRDHZ-SECBINFHSA-N	201.075	-0.038	50	10	BBGE	
COC[C@]1(C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1895393341	IHSWVLBOZCSGCA-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(=O)N[C@@H]2CC[C@@H]21	1897219536	PCWRGLJJHFUGAN-RQJHMYQMSA-N	242.662	-0.203	50	10	BBGE	
O=C(NCCSCCO)C1(B(O)O)CCC1	1899599695	RWURCHQHGSVHMW-UHFFFAOYSA-N	247.125	-0.775	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)C[C@H]1CO	1899604676	DFLQWSSXASBBOX-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C=CCC2)c(F)c1	1905420180	WXOZCZSSLFVQBD-QMMMGPOBSA-N	223.012	-0.002	50	10	BBGE	
C=CC[C@@H](C)O[C@H](COC)C(=O)NN	1913340775	ILDDNGBSERQGJH-HTQZYQBOSA-N	202.254	-0.028	50	10	BBGE	
CC(F)(F)C(=O)Nc1ncccc1B(O)O	1913641067	GAIPOKXAUULSBO-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCCC1=O	1927816891	UALLIFIQJFXJMI-UHFFFAOYSA-N	221.207	-0.376	50	10	BBGE	
COC[C@H](C)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1927913446	JGZGHWOBADKOLM-CIUDSAMLSA-N	215.297	-0.421	50	10	BBGE	
C[C@@H]1COCCN1C[C@@H]1C[C@@H]1C(=O)NN	1927914184	RHSPKLAWDTXKEZ-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CCS(=O)(=O)N[C@@H]1CN(C)C[C@@H]1Cl	1928750609	HXHFJHCFUWNYQK-NKWVEPMBSA-N	226.729	-0.153	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CCOC)C1	1932057489	LCOSSRUIWZMKHT-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)O	1932715172	BTCPRVNTPIVXJH-LYFYHCNISA-N	213.237	-0.423	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2	1935963842	WIFJRLMVIQDUQV-BIIVOSGPSA-N	227.264	-0.950	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(CO)CC1	1936095056	SVRREOPNNOVUMG-NXEZZACHSA-N	227.308	-0.683	50	10	BBGE	
COCCN(C[C@H]1C[C@@H]1C(=O)NN)C1CC1	1936095148	ULZARHZCDLMFJB-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
N#CC1(O)CCN(C(=O)OC2CNC2)CC1	1936373022	XIDMINIMTRPJEM-UHFFFAOYSA-N	225.248	-0.555	50	10	BBGE	
Cc1cccn(CCOCC(=O)NN)c1=O	1936527710	CLFYOJMIUCIODD-UHFFFAOYSA-N	225.248	-0.837	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@@]1(CO)C2)C(=O)NN	1936765381	GLOKDBZWFABZGX-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[C@@H]1O	1938247374	RZYVRLUPQJUGLY-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@H](C1=O)C2(F)F	1941087648	CMYOYDFTKKZQPK-MVIOUDGNSA-N	245.229	-0.664	50	10	BBGE	
C[C@H]1CCCCN(CCOCC(=O)NN)C1=O	1941779454	CYWRZZDHALYZNS-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
CN(C)C[C@H]1CCCN1CCOCC(=O)NN	1941784329	NLEVBVHDPYSGES-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2[C@@H](C1)C2(F)F	1946719862	DRQFQOKOHUSGKC-JGVFFNPUSA-N	249.261	-0.420	50	10	BBGE	
CC[C@H](Cl)C(=O)NC1CS(=O)(=O)C1	1954505200	CDICYFHMPIKZNT-LURJTMIESA-N	225.697	-0.083	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)CC(=O)NN)C1	1954964311	OFGACSMFPBFJFA-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C[C@@H](O)CCl	1960163095	JMVVFNXRCVSEPX-BQBZGAKWSA-N	234.683	-0.677	50	10	BBGE	
O=S(=O)(NCB(O)O)[C@@H]1CCCC[C@@H]1F	1962633824	PUGTVDVHJABDCL-NKWVEPMBSA-N	239.077	-0.802	50	10	BBGE	
CN(C)CCCOC[C@H]1C[C@H]1C(=O)NN	1974679174	RLJJUUOCZFMMGY-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
CCCOC(=O)Nc1ccc(B(O)O)cn1	1976031453	HXNYZLOUHTUTBM-UHFFFAOYSA-N	224.025	-0.280	50	10	BBGE	
CN(Cc1cnco1)C[C@H]1C[C@@H]1C(=O)NN	1977386820	IWECULHFANDKIN-APPZFPTMSA-N	224.264	-0.268	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	1986052794	DHFFMYGHFMXLCG-IMSYWVGJSA-N	227.308	-0.136	50	10	BBGE	
CC(C)(C)[C@H]1[C@@H](O)CCN1CCC(=O)NN	1986723024	NQUZPSADFDACEO-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
CC(C)CN(C)c1ncc(F)cc1B(O)O	1988001685	MIFYIJVGWPKICX-UHFFFAOYSA-N	226.060	-0.007	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](COC2COC2)O1	1990164471	NTNMMEWLVWJNEB-VXNVDRBHSA-N	230.264	-0.671	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@@H](C)[C@@H]1C	1990774408	IMLVNMHLLOLQPM-YUMQZZPRSA-N	245.348	-0.021	50	10	BBGE	
NNC(=O)CCn1cnc2cscc2c1=O	1991035060	SOJSANCRZCFLKN-UHFFFAOYSA-N	238.272	-0.162	50	10	BBGE	
O=C(N=c1cc2n([nH]1)CCNC2)[C@@H]1C[C@H]1Cl	1991683736	WHPFWTSWPJTSFX-HTQZYQBOSA-N	240.694	-0.026	50	10	BBGE	
CC(C)CO[C@@H]1CCCN(C(=O)C(=O)NN)C1	1996764842	PWDIFGWOFYFCFQ-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
COCCN1CC[C@@H](N(C)[C@@H](C)C(=O)NN)C1	1997504837	UQQDBURCSDJMBW-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CC(OC)C2)C1	1998926839	PPCKJYUQBUNUNT-SECBINFHSA-N	243.307	-0.898	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@@H](C)CCC(=O)NN)C1	2002123096	WKNGUEVPZVRTCG-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1cnc(N2CC3(CCCC3)C2)nc1	2004914841	SPJUZLZPVBCPJO-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@@H]2C[C@@H]2C)n1	2005102924	ANDRHBPJXSLEOA-IMTBSYHQSA-N	235.096	-0.382	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CN=[N+]=[N-]	2009442679	FZEPMEJOACXHBN-MRVPVSSYSA-N	240.267	-0.072	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CO[C@H](C(C)(C)C)C1	2013195753	JHIZVVJLNDVQSJ-YUMQZZPRSA-N	243.307	-0.362	50	10	BBGE	
C[C@H](CN1CCC2(CC1)CC(O)C2)C(=O)NN	2013328188	IVKLGFLPRYKFRN-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@]12CCO[C@](Cn3cc(B(O)O)cn3)(C1)C2	2018180224	TWZRLLYLALNSGT-PHIMTYICSA-N	236.080	-0.478	50	10	BBGE	
C[C@@]12CC[C@@](Cn3cc(B(O)O)cn3)(C1)OC2	2018190495	GPFDOPNFFSTONL-MNOVXSKESA-N	236.080	-0.478	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@@H]1CCOC1	2019612098	QCXLNFAJSQYHRB-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
O=C(NCCC1CC1)c1ccccc1B(O)O	2022197207	ZFUKQWBFQIURFK-UHFFFAOYSA-N	233.076	-0.104	50	10	BBGE	
C[C@@H](CN1CC[C@H](OCCCO)C1)C(=O)NN	2026095122	MSIMUPLGFOHSLF-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
N#CCc1cccc(Cn2ccc(B(O)O)n2)n1	2042233339	VSKRVQFAMGGLDX-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(B(O)O)cn1	2054286577	CBTBDYCOUREHTO-JGPRNRPPSA-N	248.091	-0.910	50	10	BBGE	
COc1c(B(O)O)ccc(Cl)c1C#N	2060100601	OGGQPCORVVAHOO-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(C#N)c1B(O)O	2060212265	OWPBILOAYMOHJB-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
C[C@H](Oc1ccccc1)C(=O)NCC#CB(O)O	2077481885	BKWXSLFVAQZPPK-JTQLQIEISA-N	247.059	-0.415	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)c1ccccc1B(O)O	2079009851	KYYAEGWDMRCWAA-QWRGUYRKSA-N	249.075	-0.726	50	10	BBGE	
O=C(Cc1cc[nH]n1)N1CC[C@H](B(O)O)C1	2208731245	CLMBSRYHYJVASC-ZETCQYMHSA-N	223.041	-0.973	50	10	BBGE	
CN1CC[C@H](COCCC(=O)NN)C1	2209885635	JAMWQGKSACBEBB-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
Cn1ccn(C[C@H]2CC[C@@H]2C(=O)NN)c1=O	2211838565	IQTMNKFYTRWIKP-SFYZADRCSA-N	224.264	-0.797	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCCOCC1	2211839285	RYQCMICIQAGBNU-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1ncccc1B(O)O	2212601036	HRSWMDKXOHWTPO-IONNQARKSA-N	224.069	-0.734	50	10	BBGE	
CC1(CCN=c2ncc(B(O)O)c[nH]2)CC1	2212602668	HSVDJBLVVSVVRL-UHFFFAOYSA-N	221.069	-0.820	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H](C)N)cc1B(O)O	2212605502	FZJIHVURWRMJQM-SFYZADRCSA-N	223.085	-0.783	50	10	BBGE	
CCN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)CC1	2215777041	QITWNANQIUUCPX-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
C#C[C@H](Nc1ncccc1B(O)O)C1CCC1	2217175549	KKKICANIRZESQJ-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
CC12CC(Nc3cc(B(O)O)ccn3)(CO1)C2	2217178505	WTBSSJGOOZIUIG-UHFFFAOYSA-N	234.064	-0.505	50	10	BBGE	
CC[C@H](Nc1nccc(B(O)O)c1F)[C@@H](C)O	2217183168	GMYRSOXORVMLSE-SVRRBLITSA-N	242.059	-0.528	50	10	BBGE	
CCOC1CC(Nc2ncc(B(O)O)cn2)C1	2217199568	DIXGVTUYJUVVIM-UHFFFAOYSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(NC2CC(N(C)C)C2)cc1B(O)O	2223650510	NGDFUDBDACDRRW-UHFFFAOYSA-N	249.123	-0.426	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@]12CCOC2	2223666583	MZPVWUSWURYWCH-CABZTGNLSA-N	248.091	-0.400	50	10	BBGE	
C#CCOCc1csc(C(=O)NN)n1	2241639791	TZOQBFXDVXCDHH-UHFFFAOYSA-N	211.246	-0.104	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H]1[C@H](O)CO	2241810611	GGZNZSQBVUXQII-GJMOJQLCSA-N	221.684	-0.185	50	10	BBGE	
NC(=S)NNC(=O)C12COCC(C1)C2	2242142670	VNUOVPSFBWZUGI-UHFFFAOYSA-N	215.278	-0.723	50	10	BBGE	
OB(O)c1ccc(SC[C@@H]2CCCN2)nc1	2242795015	DELSYBZMIQNCEW-VIFPVBQESA-N	238.121	-0.395	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1ccc(B(O)O)o1	2243357432	WTRWWJACYSOBSF-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCOC2)C1(B(O)O)CC1	2243358685	JHAZMVSFXCIJSZ-CBAPKCEASA-N	225.053	-0.711	50	10	BBGE	
CC1=CCN(C(=O)c2sccc2B(O)O)C1	2243375878	ACJNDIPEXWFJJZ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C[C@@H]1CNCCN1C(=O)C1CC(B(O)O)C1	2243396575	NZQLVJBXVFQAAS-AFPNSQJFSA-N	226.085	-0.940	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1N	2243396921	SNQAJSKUHIPNMK-DFAZKQQPSA-N	226.085	-0.955	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1csc(B(O)O)c1	2243406989	JERROACNCXQBKP-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
CC[C@H]1NCC[C@H]1NC(=O)C1(B(O)O)CC1	2243408962	YIAWITOGDPTTHB-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H]1CO	2243409306	FRJZZUMLEKELSU-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCO1	2243409459	IHEPSYANPBNMQP-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)C1(B(O)O)CC1	2243752497	JGJFESRPTFXWRU-UHFFFAOYSA-N	229.041	-0.637	50	10	BBGE	
NN=c1cnc(C(=O)N[C@H]2C[C@H](Cl)C2)c[nH]1	2243978101	WJUCBQRAZLWVCD-IZLXSQMJSA-N	241.682	-0.316	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1cc(B(O)O)co1	2244221810	IADXZKMLBPEGJB-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)c1ncc[nH]1	2247723216	QUSOBNUZAWZSRK-ZETCQYMHSA-N	237.068	-0.016	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2ccoc2B(O)O)C1	2247738705	USQUUTZQXMVELC-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@@H]1C	2247739759	BBNSUEIDRFAYNH-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
CCC(CC)(CO)CNC(=O)C1(B(O)O)CC1	2247755190	HMLKCNNCTRFHAY-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
Cc1cc(CN(C)C(=O)C2(B(O)O)CC2)on1	2247759201	ZRSZBDJIITWWCQ-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
C[C@H](NC(=O)c1ncccc1B(O)O)C(F)F	2247772047	ZVXXTTSSBWMRBS-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
CO[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792235	RKVBJZFCLYJWKY-AEJSXWLSSA-N	241.096	-0.219	50	10	BBGE	
C=C[C@]1(C)COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247799549	FGVUOEXSNVVQNB-IQJOONFLSA-N	239.080	-0.347	50	10	BBGE	
CN(CCOCC1CC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800384	OKHXPLKUOPRAKO-ZJUUUORDSA-N	241.096	-0.266	50	10	BBGE	
Cc1nccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247805924	LFGNVVIIXWGNGU-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)C1CC(B(O)O)C1	2247808976	WTPWSFXTMNAMRE-KTOPAGBWSA-N	239.080	-0.752	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CN1C	2247809312	OXCPGTSYUUZHDR-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@H]1C[C@@H]1B(O)O	2247810457	XOBNQWXVVZDGEY-FFVIEOEESA-N	233.076	-0.524	50	10	BBGE	
CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)C#CB(O)O	2247841129	GBJJVRRYCABQKT-YXZBHFDYSA-N	233.076	-0.638	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCC[C@H](O)C1	2247854902	KICZWTMPKXOSNH-GUBZILKMSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCC[C@H](CN)N1C(=O)C1(B(O)O)CC1	2247873794	LZRFTGMSFIFWSR-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1COCC1(F)F	2247886997	JBEAVXCIWBVMKV-FSDSQADBSA-N	249.022	-0.658	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898024	ZPFMXISUKFJCDY-VGMNWLOBSA-N	241.096	-0.531	50	10	BBGE	
CCN(CC(C)(C)CN)C(=O)[C@@H]1C[C@@H]1B(O)O	2247898425	DLPXZFOQZCBSNY-BDAKNGLRSA-N	242.128	-0.317	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247906598	YSXBTCOZOCPTRS-IMSYWVGJSA-N	240.112	-0.789	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1ccc(B(O)O)cc1	2247947567	XPOYHHMDCYNLJQ-QMMMGPOBSA-N	232.048	-0.490	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2248574429	RKCCGPKGISOHBO-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
CCOC(=O)NCc1ccc(B(O)O)cc1F	2248966947	QOHSBHWDJVGGJK-UHFFFAOYSA-N	241.027	-0.248	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]1CF	2249412603	YDIHCGGFGGROJG-QMMMGPOBSA-N	241.027	-0.467	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1cc(B(O)O)co1	2249428610	RHIUGIMCUSHPTH-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
COC1(C(=O)NCCC#CB(O)O)CCCC1	2250002431	LCBUXTMADQLKAN-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
C=C(C)CCCCn1cc(B(O)O)cnc1=O	2250184224	XVVFNCPNXVMMMQ-UHFFFAOYSA-N	236.080	-0.331	50	10	BBGE	
CCC(=O)NCc1ccc(B(O)O)c(OC)c1	2251316498	AEVNFRIWXUKZFZ-UHFFFAOYSA-N	237.064	-0.599	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1CC[C@@H]2C[C@@H]21	2255456554	PUZQHBXPDSZJBG-FKTZTGRPSA-N	249.075	-0.170	50	10	BBGE	
CC[C@H](NC(=O)c1ncccc1B(O)O)C1CC1	2255519579	ZAORIEALVMLYGF-JTQLQIEISA-N	248.091	-0.320	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)nnc1C	2255561038	CNKYVRFFUHHILO-NXEZZACHSA-N	249.079	-0.427	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@H]2CC[C@H]21	2255685503	BGAZYTXVHLRWSG-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
CC(C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368707	SVVZLHIWHOVLOZ-WCABBAIRSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)CC12CCC2	2298368768	WRZYFRYHVKKHDQ-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371841	XPHMCBUHOVWTGA-AXTSPUMRSA-N	241.096	-0.410	50	10	BBGE	
C[C@H](C(=O)O)[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1	2303114221	JSHQNOKRNKPPCY-BIIVOSGPSA-N	243.068	-0.582	50	10	BBGE	
COc1cc(C(=O)NN=C(N)N)cc(O)c1O	5732489	LTAWBQDGEYMNHI-UHFFFAOYSA-N	240.219	-0.975	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1CCN(C)CC1	58837656	YFIHSOMHOGMZAF-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CN1CCOC[C@H]1C)C(=O)NN	82467558	LDLDSGOGVYXTCG-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CCn1c(SCCC(=O)NN)n[nH]c1=O	82472672	KYSGTFARGWWXAI-UHFFFAOYSA-N	231.281	-0.937	50	10	BBGE	
CCOC(=O)/C(C#N)=C/c1c(O)on[n+]1C	83235994	BPMZMRINCCKGPE-UHFFFAOYSA-O	224.196	-0.325	50	10	BBGE	
CN(C)[C@H]1CCCN(CCCC(=O)NN)C1	84421004	CORHUMKEDAWXCW-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CN(C)NC(=O)c1ccc(C(=O)O)cn1	109465082	YJEYTKIODRTWCQ-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
CNCCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	125014022	VYNDFWQVNIRTRC-VHSXEESVSA-N	244.339	-0.935	50	10	BBGE	
Cn1nnnc1N1CCOC[C@@H]1CCl	159425922	JUJTZRCYZFXCDB-LURJTMIESA-N	217.660	-0.346	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)Cc1ccccn1	186113427	KLSAEFPDEDCPMG-SECBINFHSA-N	246.270	-0.024	50	10	BBGE	
OB(O)c1cn[nH]c1Cc1ccccc1	203631183	ZDEBYKYVFIRGHU-UHFFFAOYSA-N	202.022	-0.320	50	10	BBGE	
COc1cc(C(=O)NC(C)C)ccc1B(O)O	216526520	KFFONJIUBSTCEX-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
[C-]#[N+]CC(=O)N1CCN(C(=O)OC)CC1	216718740	OYGMAQRQWVHGRK-UHFFFAOYSA-N	211.221	-0.184	50	10	BBGE	
CCOC(=O)c1cc(C)c(B(O)O)cn1	238254108	MPTCDPSWCWKXDV-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
NNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1	238558870	CMFJTEMSRMDWNT-UHFFFAOYSA-N	249.679	-0.409	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)C[C@H]1C	250361173	UAKVYMVSTCWFRD-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CN1CC[C@H](NC(=O)CNC(=O)CCl)C1	258639534	FQBKBTLQXWQUKF-ZETCQYMHSA-N	233.699	-0.838	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](O)C1	300047538	KMECKTVTWYJIBH-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCCO	300827203	NXHYLUINSIDWPD-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](CO)N(C)Cc1ncccc1C(=O)NN	305930791	JRPRTSSFXPOEEG-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
O=C(CBr)N[C@@H]1COC[C@@H]1O	306281566	XEBKKLLEKXTUCH-UHNVWZDZSA-N	224.054	-0.743	50	10	BBGE	
Nc1cc2c(B(O)O)c(O)ccc2s1	307096943	DYPINCPQFAWUPW-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[S@](=O)CCNc1nc(N)nc(CCl)n1	309099303	IDFOQMLGVXZNQH-HNNXBMFYSA-N	249.727	-0.017	50	10	BBGE	
O=C1CCCN1Cc1cccc(B(O)O)c1	309152731	ZUHGQIORIPRKES-UHFFFAOYSA-N	219.049	-0.511	50	10	BBGE	
C[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	309271751	BXQUROVZEAGFLS-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
CC[C@@](C)(CO[C@H](COC)C(=O)NN)OC	319437266	HVJKXMPMBAEBDX-SCZZXKLOSA-N	234.296	-0.177	50	10	BBGE	
NC(=O)CC1CN(C(=O)CBr)C1	382266182	IHDMWZLFBVZLBQ-UHFFFAOYSA-N	235.081	-0.285	50	10	BBGE	
CNCCSCC(=O)NNC(C)=O	382644950	IZRKWPBTEZAXAG-UHFFFAOYSA-N	205.283	-0.894	50	10	BBGE	
CC(C)N(CC(F)F)C(=O)C(=O)NN	386929028	JZCRHQJHIHGADP-UHFFFAOYSA-N	209.196	-0.522	50	10	BBGE	
NC(=O)c1cnn(C[C@@H](O)CBr)c1	388156163	BRVXETNOERDOTC-LURJTMIESA-N	248.080	-0.262	50	10	BBGE	
C[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@@H]1O	388380780	PIHQMOUGDNJASN-VGMNWLOBSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(CN(C)C)C1	394437484	DUDVKPRSEMVTAC-DTWKUNHWSA-N	228.340	-0.506	50	10	BBGE	
CC(=O)Cc1c(B(O)O)cccc1[N+](=O)[O-]	396056788	MKQPRHVBXPQMBR-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c(O)c1	396059996	PIXPLENAVDBAOL-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
O=C(CCl)Cc1c(CO)cccc1B(O)O	396060403	QEIOUPNNWLBLCE-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
COC(=O)c1cc(CCC=O)ccc1B(O)O	396140970	XWACAZMIOBXQCV-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCOC1	398857675	VNYLIXDTOMRMRB-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=S)CCOC1	606277332	CVHQEJIOXRLDCH-SSDOTTSWSA-N	203.267	-0.723	50	10	BBGE	
CC(=NNC(N)=O)[C@](C)(O)C[N+](=O)[O-]	687759180	SGPNPVXIQSIMHL-ZCFIWIBFSA-N	204.186	-0.942	50	10	BBGE	
CCN(CCN(C)C)[C@@H](C)C(=O)NN	688912139	QVDZUAGTNKMAQL-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC(=O)O)CC1	692178170	MTJLFWCEIWRNBW-UHFFFAOYSA-N	212.205	-0.662	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@@H]1CO	708124426	NROLQOVRDZZVRI-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cnc[nH]1	709735759	IFAYNBNITKNNQM-YFKPBYRVSA-N	231.639	-0.080	50	10	BBGE	
N#Cc1nccn1Cc1cnc(C(=O)NN)s1	711348251	RIOUEBFFPHLZDX-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	713155418	UQHWAEUYFAPKDU-RNJXMRFFSA-N	239.275	-0.950	50	10	BBGE	
C[C@@H](CN1CCS[C@@H](CO)C1)C(=O)NN	720069808	QACIILUCMPCLJU-JGVFFNPUSA-N	233.337	-0.978	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C[C@H](C)C(=O)NN	724142920	WBASAGUREOXABI-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CNS(=O)(=O)CCl	725706267	TXGBURJMLSFNJI-BQBZGAKWSA-N	243.712	-0.094	50	10	BBGE	
[O][S@@+]1(=O)CCC[C@@H]1C[N+]1=N[C@@H](B(O)O)C=C1	725706548	LTUCFQLNJBYSNH-HTQZYQBOSA-N	245.089	-0.634	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CC(N)=O)o1	752779197	FPWDHPQZCIIMPG-UHFFFAOYSA-N	225.204	-0.776	50	10	BBGE	
CCN(CCC(N)=O)S(=O)(=O)CCl	921475834	KFNBVFHBVAIYSY-UHFFFAOYSA-N	228.701	-0.290	50	10	BBGE	
C[C@H](CO)CN1C[C@@H](Cl)C(=O)NC1=O	952999649	ULKCWMMLRTVRPT-NTSWFWBYSA-N	220.656	-0.226	50	10	BBGE	
C=CCNC(=O)C(=O)NN=Cc1ccncc1	1084116012	JZJMBSYFTSAQKI-UHFFFAOYSA-N	232.243	-0.166	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	1141544919	HTDAZYKORBTCKJ-RKDXNWHRSA-N	241.291	-0.593	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1cn(C)nn1	1328539494	RRTVXCGAZLPTFD-UHFFFAOYSA-N	248.250	-0.902	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@H]1CCc2nc[nH]c2C1	1328638252	WUNWKGFJKLMYJF-LURJTMIESA-N	247.262	-0.224	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccnn2C)n1C	1331677525	YYJAKIIBMMPXJY-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCc2nc[nH]c2C1	1333886358	SZAFETOHJVSCKV-ZCFIWIBFSA-N	237.263	-0.525	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@H]1CCC(=O)O1	1348501737	MPWGEBRQTQXPHQ-ZCFIWIBFSA-N	245.304	-0.404	50	10	BBGE	
Cn1nnc(C(=O)NNC(=O)OC(C)(C)C)n1	1440728838	QQTCFLQYQZJTLN-UHFFFAOYSA-N	242.239	-0.620	50	10	BBGE	
CN(NC(=O)c1ccc(C#N)n1C)C(N)=O	1446330403	DXBVORXRPJKLHN-UHFFFAOYSA-N	221.220	-0.448	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ccccn2)CO1	1447173849	FGOHPPRHNILQPH-ZCFIWIBFSA-N	222.204	-0.367	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)[C@@H]1COCCO1	1524184065	YLGJXLLZLGOEEI-SFYZADRCSA-N	241.247	-0.901	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](O)c1cnn(C)c1	1556571489	OABLPHXZSDATPC-VIFPVBQESA-N	242.279	-0.937	50	10	BBGE	
CNNC(=O)[C@H](COC)NC(=O)OC(C)(C)C	1880031771	UUNWYFMXENLADL-ZETCQYMHSA-N	247.295	-0.223	50	10	BBGE	
NCC[C@H](O)C(=O)NCC(Cl)Cl	1880977843	FSUFMBIWBJNXLR-BYPYZUCNSA-N	215.080	-0.384	50	10	BBGE	
CO[C@@H]1CN(C[C@H](Cl)C#N)C[C@@H]1N	1882163655	ZATHCSUAPRPJLA-GJMOJQLCSA-N	203.673	-0.225	50	10	BBGE	
C[C@@](N)(B(O)O)C(F)(F)C(F)(F)F	1882411122	HEKYSGDOYIRPJG-REOHCLBHSA-N	206.907	-0.087	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)Cn1cnnc1	1884829622	SRHJZQADLQRDKA-ZETCQYMHSA-N	212.640	-0.365	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)NNCCO	1892661375	FAKRHPBZGCEPQZ-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
O=S(=O)(CCCl)NCC[C@H](O)CCO	1893420108	WRTOETUSSXOJQP-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC=C(CO)CC1	1895055174	PYVUNEXMRYLHLJ-VHSXEESVSA-N	225.292	-0.763	50	10	BBGE	
COCC(COC)COC[C@@H](C)C(=O)NN	1901440929	ODECWVNPHRJKEN-MRVPVSSYSA-N	234.296	-0.462	50	10	BBGE	
Cc1noc(CN2CC[C@@](C)(B(O)O)C2)n1	1902542204	WNBCUGSUDZGPJT-SECBINFHSA-N	225.057	-0.183	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC(=O)[C@H]1C1CNC1	1904682772	GRRLOTWOOTZCLG-RKDXNWHRSA-N	242.710	-0.863	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC23CNC3)CC1	1914732009	BWHIHXLZDDHZBP-SECBINFHSA-N	235.287	-0.527	50	10	BBGE	
COCC1CN([C@H](C)CC(=O)NN)C1	1916281026	GVJWKLWWPDMXOO-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154332	FVNZDQJMSLJRPQ-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1COCCO1	1923407857	JNGRWYAHXGOGFG-SCSAIBSYSA-N	242.153	-0.889	50	10	BBGE	
CCC(CC)CCNC(=O)C(=O)NN	1926181961	GQNNQDFDOMAVEQ-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
CCN(C[C@@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	1927916840	SACQTIVNSGWZNI-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1CCCO1	1927917080	INVAPJOSYQZDKJ-IWSPIJDZSA-N	214.265	-0.192	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1C(=O)NN	1928670630	BAYAAEARDWPVTI-WDSKDSINSA-N	200.242	-0.974	50	10	BBGE	
ClC[C@H]1COC[C@H]1NCCn1cnnn1	1928739475	WLPUKNUVYRNFBK-JGVFFNPUSA-N	231.687	-0.484	50	10	BBGE	
O=C(NNCCO)c1csc([N+](=O)[O-])c1	1929837633	CFPXKCIKPOGPLA-UHFFFAOYSA-N	231.233	-0.117	50	10	BBGE	
CN(CCC(=O)NN)Cc1cncn1C	1930246677	GXHIBUSEJVQHEP-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2CO3)CC1	1931259114	MEPKIDQNDOTXLC-JGVFFNPUSA-N	211.265	-0.770	50	10	BBGE	
COC[C@H](NC(=O)OCCl)C(N)=O	1932163306	BKTRZTPCUXZGAS-BYPYZUCNSA-N	210.617	-0.591	50	10	BBGE	
CC(C)N(CCCO)C[C@@H]1C[C@H]1C(=O)NN	1936089588	WACMAMCQQLNZRG-VHSXEESVSA-N	229.324	-0.295	50	10	BBGE	
Cn1c(N2CC[C@@H](Cl)C2)cc(=O)n(C)c1=O	1936315168	YXADYCBNSHOKAE-SSDOTTSWSA-N	243.694	-0.099	50	10	BBGE	
CO[C@H](C(=O)NNCCO)C1CCOCC1	1937613724	FEALBXHBPAHFLF-VIFPVBQESA-N	232.280	-0.959	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1[C@H](C)CCC(=O)NN	1939637940	KREZTTOJRISUAH-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1CCC[C@H]1C(=O)N(C)C)C(=O)NN	1940291585	MZOIHBUXTDVFLO-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
CN(C)C1[C@@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@H]12	1941095625	ZFWDPBMLSXLSBT-SGIHWFKDSA-N	238.335	-0.896	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941287523	GPTPKZLHEWNODL-ZNSHCXBVSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@]2(CCCO2)C1	1941394143	PUBPEYCOMIMLKL-VIFPVBQESA-N	249.261	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944604754	WVMPIOUBCWBWCE-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CN(CCN(C)C1CC1)CC1(C(=O)NN)CC1	1945883646	CPQJCOQVPYKGJH-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H]1CN(C)C	1947728085	MWEIELYGDWBRNY-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H](F)C1(O)CNC1	1956927168	YKAPQCAUUMNYRB-RXMQYKEDSA-N	245.081	-0.421	50	10	BBGE	
CC(C)CN1CCN(C(=O)NN)CC1=O	1958240260	WDINBZFMRLDVIN-UHFFFAOYSA-N	214.269	-0.630	50	10	BBGE	
CC(C)(C)C1CC(NC(=O)C(=O)NN)C1	1958920307	DHPYLDNUNLYOAS-UHFFFAOYSA-N	213.281	-0.083	50	10	BBGE	
Cc1ncoc1CN(C)[C@H](C)C(=O)NN	1959176623	FMKBMOSVNCPREH-SSDOTTSWSA-N	212.253	-0.207	50	10	BBGE	
C[C@@H]1CN([C@@H](C)C(=O)NN)CC[C@@H]1CO	1960270198	UVAWTVDXNIKQTI-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1NC(=O)CCCCl	1962120691	CYZLKEZESPUCEF-SVRRBLITSA-N	234.683	-0.236	50	10	BBGE	
CO[C@@H]1CC(CNC(=O)NN)C[C@H]1OC	1962378962	WWPRMJPHPIJMSO-HTQZYQBOSA-N	217.269	-0.401	50	10	BBGE	
CC=CC=CC(=O)N[C@H](CB(O)O)C(=O)O	1976980010	SCMHIEJOVMEERG-SSDOTTSWSA-N	227.025	-0.839	50	10	BBGE	
C[C@H](CN1CC[C@H](O)CC12CC2)C(=O)NN	1980718095	DIEOMIFLURAWKY-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C[C@@H]1C	1981412570	WEYINQUKMNTXHW-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CCCC1CN(c2ccncc2B(O)O)C1	1981415046	ZMCHXYXJYZTJRW-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cn1nnnc1CCN1C[C@](C)(CCl)C1=O	1982863850	YNKSDKHOVLAGBH-VIFPVBQESA-N	243.698	-0.160	50	10	BBGE	
CN=c1nncc(N2CC=C(C#N)CC2)[nH]1	1986437876	ZSYRBOXAZZZUBB-UHFFFAOYSA-N	216.248	-0.005	50	10	BBGE	
COC[C@H](C)CCO[C@H](COC)C(=O)NN	1987522293	LETVHXJMEKLZPR-RKDXNWHRSA-N	234.296	-0.320	50	10	BBGE	
CC[C@@H](CN(C)c1nc(B(O)O)cs1)OC	1987958524	QIQLYCYAWXNMTI-ZETCQYMHSA-N	244.125	-0.316	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@]1(C)O	1989511681	FZBVMONGSRLCAP-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CCCCC(=O)NN	1990040565	GCGUYHBYLJGCEN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CCN(CCN(C)C)CC(=O)NNC(C)=O	1990775643	YLCYTOPJESQUQO-UHFFFAOYSA-N	230.312	-0.963	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](C)CC1	1990775764	ZYZFRLIULSZRTF-QMMMGPOBSA-N	229.280	-0.736	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C[C@@H]3C[C@@H]3Cl)C2)N1	1991437278	FBIWCDYWOXIIBW-MHYGZLNHSA-N	243.694	-0.102	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2Cl)C[C@@H]1C(=O)O	1991693068	LCVFMPZPXZZRJQ-BWZBUEFSSA-N	246.694	-0.159	50	10	BBGE	
O=C(NCC#CB(O)O)Oc1ccccc1	1992143164	ONBWCQIZSLGBFN-UHFFFAOYSA-N	219.005	-0.210	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C23CCC3)CC1	1993529218	SIDHHTZKVAZQFT-MRVPVSSYSA-N	225.292	-0.644	50	10	BBGE	
CCCN1CCN([C@H](C)CC(=O)NN)CC1=O	1996756403	RWLJVYYAPFNGFW-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CN(Cc1ncon1)[C@@H](C(=O)NN)C(C)(C)C	1997754924	PTPRSRORUCPIRB-QMMMGPOBSA-N	241.295	-0.094	50	10	BBGE	
CCNC(=O)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	2002651955	IXJWSECJBYHQCF-HTQZYQBOSA-N	242.323	-0.931	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2005016562	RCLHSOZWYBXCLQ-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
C[C@H]1C[C@H]2CN(CCCC(=O)NN)CCN2C1	2010601291	UAUJNZAFMVALSA-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccn(CC2C[C@@H]3CC[C@H](C2)O3)n1	2010676942	GIVMOOPBFZOWRQ-PBINXNQUSA-N	236.080	-0.480	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC(CO)C2)C1	2013607885	FZTPWDRNRLIDRP-SNVBAGLBSA-N	241.335	-0.295	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@H]2CCC[C@H]2C1	2021120111	VZKKRUQWSXZOSX-AOOOYVTPSA-N	236.080	-0.557	50	10	BBGE	
O=C(NCC#CB(O)O)Nc1cccc(F)c1	2021127794	HIFQIYOBSZQIJS-UHFFFAOYSA-N	236.011	-0.037	50	10	BBGE	
N[C@@]12C[C@H]1CN(CC(=O)NNc1ccccn1)C2	2034067675	IKAVVVVTXRPYFH-JOYOIKCWSA-N	247.302	-0.442	50	10	BBGE	
CN(CC1[C@H]2CCC[C@H]12)c1ncncc1B(O)O	2052467461	QWPYKCZHQKALSG-IUCAKERBSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2CC2CC2)c1B(O)O	2052550875	XZSPIXDEZMHXEX-SNVBAGLBSA-N	247.107	-0.156	50	10	BBGE	
COCc1nccn1-c1ccc(B(O)O)c(C)n1	2061995425	BZICERVBOYGXIO-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
NNC(=O)C12COC(COc3cccnc3)(C1)C2	2082606785	FSPWIBIDMUAACL-UHFFFAOYSA-N	249.270	-0.001	50	10	BBGE	
O=c1ncccn1Cc1ccc(B(O)O)s1	2211073115	WHSXUDDTWVUXSN-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Nc1nccc(B(O)O)c1F	2212604785	SPTBZZABEYTVJF-KPCSLPGQSA-N	224.044	-0.033	50	10	BBGE	
CC[C@@H](CNc1cc(B(O)O)ccn1)OC	2212605821	KNIHXMNTXXRUQX-VIFPVBQESA-N	224.069	-0.402	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C[C@H](C)O	2214597936	ATTNDHTTWBLTRO-JTQLQIEISA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H]2C[C@@]2(CO)C1	2215773927	UXQMAHLPGTWURE-WYFGTUCQSA-N	239.319	-0.683	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H]1CC[C@@H]1C(=O)NN	2215776397	MNPCVFJGFISZKI-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
CC[C@H](N)C[C@@H](C)Oc1ccc(B(O)O)cn1	2217190391	CXRKUEHXIBTNCT-SCZZXKLOSA-N	238.096	-0.344	50	10	BBGE	
CN(CCCCCO)c1cc(B(O)O)ccn1	2217196603	SZEUFAUNGZZAMZ-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
OCC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058662	MRCWZWRJWBPKFU-NSHDSACASA-N	249.119	-0.429	50	10	BBGE	
C#CCN(C)CCCNc1ncccc1B(O)O	2223644530	KLOHPZHBWQJRPS-UHFFFAOYSA-N	247.107	-0.872	50	10	BBGE	
Cc1cnc(NCC2CCNCC2)cc1B(O)O	2223650452	MKVXITPQSOCVTM-UHFFFAOYSA-N	249.123	-0.519	50	10	BBGE	
C[C@H](Cn1ccnc1)Nc1ccc(B(O)O)cn1	2223667136	QFNBFQQIFFBVHN-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
Cc1noc(CN(C)c2ncccc2B(O)O)n1	2223670048	RWXDDWBGSBFTAO-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
N#CC1(O)CCN([C@H](CN)CF)CC1	2241295471	OWKNJNQUTJWNMZ-QMMMGPOBSA-N	201.245	-0.366	50	10	BBGE	
O=C(N=c1ccs[nH]1)[C@@H]1C[C@@H]1B(O)O	2241495561	KQXWFDBHBVDMBU-UHNVWZDZSA-N	212.039	-0.634	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)C2(B(O)O)CC2)C1	2243363360	FONUNZYGFQDESP-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
CCN(C)C(=O)c1c(C)cccc1B(O)O	2243374433	FJLPFWSELVDCBU-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)sn1	2243378124	MYAPSRKKKNUCFL-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
CN(C)C1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243392161	RUZOGDRJLLMKKL-ZKCHVHJHSA-N	226.085	-0.988	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)C1CC(B(O)O)C1	2243392661	VXSKUHRQEJHHIY-AFPNSQJFSA-N	224.069	-0.143	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCNC1	2243395646	ABHRNRQOHGIHBS-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)[C@H]1C[C@@H]1B(O)O	2243397301	YPYXJCIURGPUJD-NRPADANISA-N	228.101	-0.661	50	10	BBGE	
CCC(CC)(CN)NC(=O)C1(B(O)O)CC1	2243397410	ANTIAMCDJRYCBF-UHFFFAOYSA-N	228.101	-0.373	50	10	BBGE	
NCC1(CNC(=O)C2(B(O)O)CCC2)CC1	2243398902	UZCFWYXABOGZAG-UHFFFAOYSA-N	226.085	-0.761	50	10	BBGE	
CC[C@H](C)NC(=O)c1cncc(B(O)O)c1	2243407131	LXJBVOOBRWZYAY-ZETCQYMHSA-N	222.053	-0.710	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2243408231	JNHYREKVPXHLEV-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
CN(CC1(C)COC1)C(=O)C1(B(O)O)CC1	2243410555	DFMVEOUUFODJHZ-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
CON(C(=O)c1cscc1B(O)O)C(C)C	2243411161	PBAJFTNFYGSATL-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
Cn1cccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243414660	FYQCKKPTVIAVGL-IUCAKERBSA-N	222.053	-0.496	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)N(C)C	2244182298	KVQNTQRVGYAMDQ-UHFFFAOYSA-N	225.028	-0.484	50	10	BBGE	
CCC=CCNC(=O)c1cocc1B(O)O	2244212767	VBCPAVPSJBRRFJ-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCCSC1	2244547796	FVQPBJDRFUKIAF-VIFPVBQESA-N	241.121	-0.349	50	10	BBGE	
CC#CCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245913359	QGFZUANWCZRBAD-UHFFFAOYSA-N	238.483	-0.338	50	10	BBGE	
COC1(C)CCC(NC(=O)C#CB(O)O)CC1	2247740651	NPBYKFWIEKTDQC-UHFFFAOYSA-N	239.080	-0.534	50	10	BBGE	
CCC[C@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2247756631	SXODFIQZNZCMQP-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
C[C@@H](NC(=O)c1ncccc1B(O)O)C1CC1	2247761017	PQVKDXVDYRCZGM-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)cn1C	2247763096	IZFHWGLFEUXTSF-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2CF)oc1B(O)O	2247790262	BRTRGLAVZBEWPR-ZETCQYMHSA-N	241.027	-0.548	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247796489	AALQEZTZEUZREM-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1CN	2247798951	YOAAANHXWDGJIZ-FMLYDFSMSA-N	240.112	-0.707	50	10	BBGE	
CC(C)N(C)CCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247800032	KNOAJVQVVZESEF-ZJUUUORDSA-N	242.128	-0.304	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247801206	YIJRJAJZBAFSOA-FXPVBKGRSA-N	240.112	-0.563	50	10	BBGE	
O=C(NCc1cncc(F)c1)[C@@H]1C[C@H]1B(O)O	2247806058	DAFYQYSRQGOIPC-RKDXNWHRSA-N	238.027	-0.300	50	10	BBGE	
NCc1ccccc1NC(=O)[C@H]1C[C@H]1B(O)O	2247807759	RXBRKGLKKYACDM-DTWKUNHWSA-N	234.064	-0.053	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247809565	ZQUSWTPMBWOTHN-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccccc1[N+](=O)[O-]	2247851111	VXHGTLDKCBHGTL-UHFFFAOYSA-N	233.976	-0.451	50	10	BBGE	
CCC1(F)CN(C(=O)c2ccc(B(O)O)o2)C1	2247851366	YJZWNIRQGFGOIP-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
O=C(N[C@H]1CCCNCC1)[C@H]1C[C@H](B(O)O)C1	2247854463	CZGDHOPPXFZBDI-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C(=O)C1(B(O)O)CC1	2247855543	UKTMPUDNBQZNDS-BDAKNGLRSA-N	240.112	-0.456	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2N1C(=O)C1(B(O)O)CCC1	2247877274	FJQNFNJIEVSACZ-HTQZYQBOSA-N	237.064	-0.079	50	10	BBGE	
CC(C)CCCNC(=O)c1n[nH]cc1B(O)O	2247884980	CPSTVNUEDXOWOY-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895207	QBFAMSFKKLOKBW-CHIWXEEVSA-N	240.112	-0.552	50	10	BBGE	
NC[C@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247897998	ZIXOHEILOQORNA-XSPKLOCKSA-N	244.075	-0.863	50	10	BBGE	
CC1(C)CCO[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247900731	ZDNXWPVONGAGQF-DJLDLDEBSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC(C)(C)[C@@H]1CO	2247990495	UMQHGYFDAOEMAB-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248574115	OSTFZBNIYPUDNW-WCTZXXKLSA-N	241.052	-0.829	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2cocc2B(O)O)[C@@H]1C	2249423360	JGGJAAJHGQPQEB-RNLVFQAGSA-N	237.064	-0.409	50	10	BBGE	
C=CC1(NC(=O)c2cocc2B(O)O)CCC1	2249440544	PENYZQHWKDIDSS-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1cocc1B(O)O	2249441363	XEQMCNIDPFCVBC-OIBJUYFYSA-N	237.064	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CC[C@@H]2C)n1	2255487659	SIYREWGORLGJCK-XVKPBYJWSA-N	248.091	-0.402	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255497486	BTLHLZUBMDJJBE-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
Cc1cccc(C(=O)NCC2COC2)c1B(O)O	2255508873	FKUJKSWYGNFTKT-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccc(B(O)O)cn1	2255516903	RGEXVMAUUVMIRG-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC2(CCC2)C1	2255517916	GHGIFSDLAVFXRZ-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1ccoc1B(O)O	2255677956	DJBGCUOCULWUTG-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCOC[C@H]1c1ccco1	2255678839	DRLKZILXMRGAEO-VIFPVBQESA-N	249.031	-0.805	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1cncc(B(O)O)c1	2255714913	XYAQABZNDVFRDV-SNVBAGLBSA-N	247.063	-0.817	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1ccoc1B(O)O	2255716566	SFAQNUMDCYZECW-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
C#CCCCCCNC(=O)c1cc(B(O)O)co1	2258139304	VLAQEVWDPDAHMJ-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CO	2298371133	AJUCCGCEVGXRMF-SGIHWFKDSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2298371696	SEQOBLOWWVPDPS-OEZYJKACSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](CN1C[C@H]2CC(O)C[C@@H](C2)C1)C(=O)NN	2301126502	RUNVFRGLILQEKH-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
COC[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301346693	UAOKUUCHTLRXJV-MRVPVSSYSA-N	234.064	-0.315	50	10	BBGE	
CC(C)=C(CN(C)C[C@@H]1COCCO1)B(O)O	2301965686	WBBURURJOBTFPT-SNVBAGLBSA-N	243.112	-0.318	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCOC[C@@H]1CO	2302021781	DIKRPTRZKXMSCS-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](O)CN(CCO)[C@H](C)CCCC(=O)NN	2302025637	RXQDTHUHYUOYNY-ZJUUUORDSA-N	247.339	-0.790	50	10	BBGE	
CCCCNC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	2303098149	DJFIKDNBAKYPSH-VHSXEESVSA-N	242.128	-0.160	50	10	BBGE	
CC[C@@](C)(Cn1cc(O)n(C)c1=O)C(=O)NN	2303440601	ZHZPFLPROXIAFJ-JTQLQIEISA-N	242.279	-0.701	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306282833	HBUDYKUTCBQIIW-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@H]3CC[C@H]2CN3)nc1	2315633785	QVIGMBDPWADSSG-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
C[C@@]1(N)CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317313000	PQQAQWFPMCDONU-GFCCVEGCSA-N	248.091	-0.894	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)COC(=O)c1cnccn1	6291753	YRLQZSAZXXPKQV-BQYQJAHWSA-N	246.226	-0.041	50	10	BBGE	
C[C@@H](CSc1nccc(=O)[nH]1)C(=O)NN	82472235	ULQXWGMNFISSOP-YFKPBYRVSA-N	228.277	-0.512	50	10	BBGE	
COC(=O)CSCc1cc(C(=O)NN)no1	82472454	UGUYUNJKSKURJG-UHFFFAOYSA-N	245.260	-0.316	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCC(=O)N(C)C1=O	84406422	WHRZWWCXHIXOHU-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1CCNCC1	94024743	LVVGVXDOJLWGBD-UHFFFAOYSA-N	242.323	-0.915	50	10	BBGE	
CN(C)CCN(C)Cc1cc(C(=O)NN)no1	111152489	FNUGLPYUBFBXSS-UHFFFAOYSA-N	241.295	-0.729	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1CC(C)(C)C(=O)NN	122373400	NZFKPFSBAWTVSR-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)OC(C)(C)C1)C(=O)NN	164359667	SUXRNYCNXBWWNA-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
COC(CN/C=C(\C=O)[N+](=O)[O-])OC	213978814	RRBGSAFYAREMCD-ZZXKWVIFSA-N	204.182	-0.488	50	10	BBGE	
N#C/C(=C/Nc1nc[nH]n1)C(=O)N1CCOCC1	217101275	QNMXUNVXRMYDER-VURMDHGXSA-N	248.246	-0.517	50	10	BBGE	
COC[C@@H](SC[C@H](C)CO)C(=O)NN	232421663	CIMKAHJFSKJFMS-RNFRBKRXSA-N	222.310	-0.647	50	10	BBGE	
C[C@H]1C[C@@H](N=C=O)CCN1S(=O)(=O)N(C)C	235582220	KDRWXJGGGXAYQP-IUCAKERBSA-N	247.320	-0.019	50	10	BBGE	
Cn1nnc(C[C@H](CCCCl)NN)n1	236160531	HDHRYPLQEXVZPH-LURJTMIESA-N	218.692	-0.397	50	10	BBGE	
OB(O)c1ccc(O)nc1C(F)(F)F	238624538	OESMLSXMOBTUGK-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
C[C@H](O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	252598817	KDVSNCCWPLNTGE-XLPZGREQSA-N	203.286	-0.687	50	10	BBGE	
C#CCC(CC#C)C(=O)NNC(=O)CN(C)C	287727938	NYCVEJSZOCDXKX-UHFFFAOYSA-N	235.287	-0.642	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)C[C@H]1C	300355482	OOEFHDGWUBYTJI-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
NCCNc1nc(N)nc(CCCl)n1	308481482	MPAAEDPXQJAMRM-UHFFFAOYSA-N	216.676	-0.394	50	10	BBGE	
NNC(=O)N1CCC(O)(C(F)(F)F)CC1	308892616	YKRZDVXQLZGIPI-UHFFFAOYSA-N	227.186	-0.041	50	10	BBGE	
CC(C)N1Cc2cccc(B(O)O)c2C1=O	309158922	XRGLJCMGJAIZGG-UHFFFAOYSA-N	219.049	-0.269	50	10	BBGE	
COC(=O)c1cc2c(B(O)O)cncc2s1	381095450	WKBZOJCIVOHNIP-UHFFFAOYSA-N	237.045	-0.237	50	10	BBGE	
C[C@@H](CN1CC(O)(C2CC2)C1)C(=O)NN	384013452	WKLCIKZBZFWZGH-ZETCQYMHSA-N	213.281	-0.931	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1[N+](=O)[O-]	396046181	DBUBKZMSMDLBHV-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
NNC(=O)CCCCSCCC(N)=O	399177021	QPLRXMNQPAYWBC-UHFFFAOYSA-N	219.310	-0.245	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OC(F)F)C1	399953624	USFRUNMQPYBOBK-ZCFIWIBFSA-N	223.223	-0.322	50	10	BBGE	
C[C@@H](OCCOCC1CC1)C(=O)NN	400784494	WWRKZSWGNSRHHM-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(F)(F)CC1	404801196	UKURUGIJNXMEFX-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CCC(=O)N(C)Cc1ccc(B(O)O)cc1	405008037	OCJOPWTXRLGDFH-UHFFFAOYSA-N	221.065	-0.265	50	10	BBGE	
N#CC1(O)CCN(C(=O)CS)CC1	575570214	QICYHSUMSKWFMW-UHFFFAOYSA-N	200.263	-0.207	50	10	BBGE	
CNCCC(=O)N1CCC(O)(C#N)CC1	692114285	QPAWIVQPGGHXSA-UHFFFAOYSA-N	211.265	-0.527	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CC(N)=O)C1	700642714	VBQKHNJJURFDAT-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
Cc1ccccc1OCCC(=O)NCB(O)O	702031635	YPGZMHRKORMFKX-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(C)[C@@H]1C(=O)O	709908449	FOXUXSXWTKIQEV-LURJTMIESA-N	215.253	-0.032	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	817215159	HTOPDHFWRBQMMA-YIZRAAEISA-N	242.275	-0.262	50	10	BBGE	
CN(NC(=O)[C@@H](O)C1CCOCC1)C1CC1	819646823	GNPNQDPGNQXUCB-JTQLQIEISA-N	228.292	-0.101	50	10	BBGE	
N#CC1(O)CCN(C(=O)C(F)(F)CN)CC1	821981532	VYKDXCJFRFAVCP-UHFFFAOYSA-N	233.218	-0.543	50	10	BBGE	
C[C@@H](N)[C@@H](C)NS(=O)(=O)CBr	850587993	QRAFMAWHGGYFBV-RFZPGFLSSA-N	245.142	-0.006	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCCO2)n1C	856046715	FFKXFYNRYPLAIX-SSDOTTSWSA-N	225.252	-0.254	50	10	BBGE	
COC(=O)NNC(=O)[C@@]12CCCN(CC1)C2	895511666	AACYRKAKKAHDMM-JTQLQIEISA-N	227.264	-0.141	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C/c1cnccn1	910171391	VRHCFXGYMMEDLF-CDAZIORVSA-N	236.275	-0.166	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1CNOC1	923733551	YJQQCMSCYPYFRZ-BYPYZUCNSA-N	245.098	-0.838	50	10	BBGE	
Cc1c(C(=O)NN(C)C[C@@H](C)O)nnn1C	1119643258	AGQXJIUSZAKQNK-ZCFIWIBFSA-N	227.268	-0.919	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ncon1	1157784150	VSRQBCJSUWRSOB-WDSKDSINSA-N	240.219	-0.744	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)C1CC1	1628293714	GDWDWIKUSBTNKJ-LURJTMIESA-N	226.232	-0.503	50	10	BBGE	
NC(=O)[C@H](N)CNC[C@@H]1C[C@H]1Br	1877411704	NQZCYFMYGMVJBZ-KVQBGUIXSA-N	236.113	-0.828	50	10	BBGE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880023121	JDQSBHYBLFLOTN-ZETCQYMHSA-N	247.295	-0.142	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@@H]1Cl	1883639541	NBIUCVPYWOKFQR-HEIBUPTGSA-N	200.669	-0.052	50	10	BBGE	
CP(C)(=O)[C@@H]1CCN(CC(=O)NN)C1	1885639971	YBWWNURCIDTLPS-SSDOTTSWSA-N	219.225	-0.327	50	10	BBGE	
NNC(=O)CN1[C@H]2CC[C@H]1CC(F)C2	1889127370	TVAOWWNKOATFPO-YUMQZZPRSA-N	201.245	-0.059	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CCO[C@@H]2C1	1895093430	LWRGEJCOZYBVFI-SGIHWFKDSA-N	225.292	-0.667	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cnsc1B(O)O	1900451589	NQRZJXGBPIONDV-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
CN(C(=O)c1cnsc1B(O)O)C1(C)CC1	1900475577	WJGDPMMNWIDBIV-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCC[C@@H]1C[C@H]1C(=O)NN	1900535808	WVROIYQISXNKFB-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
CNC(=O)CN(C)[C@H](C)CCCC(=O)NN	1901762620	IHMWOTBMVIAIPO-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
C[C@]12C[C@](C(=O)NNC(N)=S)(CO1)C2	1902094917	VBDSYUIZILZYEZ-ZKCHVHJHSA-N	215.278	-0.580	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC[C@H]1[C@@H]2COC[C@H]12	1902468448	OSASIYUIZCYUCO-ZOZBQHSOSA-N	226.276	-0.479	50	10	BBGE	
O=C(C[C@@]1(O)CCNC1)NC1CC(Cl)C1	1909294953	DTLXHFLHZZUGRH-KTOWXAHTSA-N	232.711	-0.013	50	10	BBGE	
CCS(=O)(CC)=N[C@@H](COC)C(=O)NN	1913893275	HPCGDSPEHMPPKV-ZETCQYMHSA-N	237.325	-0.501	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC3(CC3)C2)c1	1914546707	AEDMUIOOJOXDIG-UHFFFAOYSA-N	247.103	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOCC12CC2	1915591529	ALOBTGJXPBVHCU-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NS(C)(=O)=O)C1	1928752067	ZDIOYSOPDLRSNX-WDSKDSINSA-N	212.702	-0.543	50	10	BBGE	
C[C@H]1CCOCCN1[C@H](C)CC(=O)NN	1929658940	GQBVRBRGKQLFPW-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@]1(C)CO	1932967690	PMLILVVBHVRQGL-NRPADANISA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CN1[C@H]2CCC[C@@H](O)[C@H]1CC2	1933378176	AZCMCAWTKDWTMI-DJLDLDEBSA-N	213.281	-0.646	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](CO)C2(CC2)C1	1935771373	LXLXOBUVFVURKZ-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C(CO)[C@H]2C1	1937461810	WRMKVSUANHMJTG-IUCAKERBSA-N	227.308	-0.683	50	10	BBGE	
O=C(NNCCO)c1cc(F)cc([N+](=O)[O-])c1	1944215895	ONKZVTLGHFOWCL-UHFFFAOYSA-N	243.194	-0.039	50	10	BBGE	
NNC(=O)c1cc(CN2CC3(CC3)CO2)on1	1944569924	CWOJMUGDBOZOCZ-UHFFFAOYSA-N	238.247	-0.195	50	10	BBGE	
CCN(C)[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1948376274	WZDZHLZKLFWPBP-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccc([N+](=O)[O-])cn1	1952977313	XCBOCLGLSOFDDL-SFYZADRCSA-N	208.177	-0.126	50	10	BBGE	
CO[C@]1(CN(C)CC(=O)NN)CCCOC1	1979280739	IANHDWCTWSEFLV-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC([C@H](F)CO)C1	1979546869	BTYMUXJZUYPMRJ-BDAKNGLRSA-N	233.287	-0.737	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)CC(=O)NN)o1	1981093266	JXUZQEMLVHPZIG-LURJTMIESA-N	227.268	-0.422	50	10	BBGE	
OCc1nnc2n1CCN(C[C@H](O)CCl)C2	1981093720	PCGYVDPZTODVQI-SSDOTTSWSA-N	246.698	-0.814	50	10	BBGE	
CCc1nccn1-c1ccncc1B(O)O	1981465570	OFNZTSLETUZFSG-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@@H](CO)C2)CC1	1983557423	FFZQHGBFCCJGCD-SFYZADRCSA-N	231.271	-0.981	50	10	BBGE	
Cc1ncncc1CN(C)CCC(=O)NN	1984240579	BZEDNMGIXNEPNI-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
C[C@H](N(C)CCOCC(=O)NN)C(C)(F)F	1984265226	PVEWCXJDOCCRRT-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CC1(F)F	1985884845	SFVSDFITIASPAK-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(C1)OC[C@H](O)[C@@H]2O	1986231550	UHQZSHNVICRGQD-ZKWXMUAHSA-N	249.694	-0.663	50	10	BBGE	
CC(C)(COCCn1ccnc1)C(=O)NN	1986445729	NYZOKJNVEXRGQZ-UHFFFAOYSA-N	226.280	-0.084	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H](O)C[C@H]2C1	1986730575	SIGLRRNYOBTVHO-ILWJIGKKSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)n1ccnc1C(F)F	1986811672	ZWACTRJNRQXZJN-RXMQYKEDSA-N	234.206	-0.002	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1C1(O)CC1	1987339721	CCGQHQILHQSEBP-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@@H]1CCNC1=O	1991286022	MWDOUBHUILCPPW-RITPCOANSA-N	247.682	-0.424	50	10	BBGE	
O=S(=O)(NCC=CB(O)O)C1CC2(CC2)C1	1991326921	LWIWFLVRJUAKDT-UHFFFAOYSA-N	245.109	-0.583	50	10	BBGE	
O=C(N[C@]1(C(=O)O)CCCNC1)[C@H]1C[C@@H]1Cl	1991679085	IYQFIYLXGKIVKC-MHYGZLNHSA-N	246.694	-0.063	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1C#N	1991713797	XOKKYJZYKDEKPY-UFUPEUMYSA-N	241.678	-0.026	50	10	BBGE	
Cc1ccnc(-n2cc(F)cn2)c1B(O)O	1992089320	LEEYWTZJDFUYRU-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC[C@@H]1COC	1998228438	VILHYJPUJZAZKX-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@H](C)[C@H](C)C(=O)NN)C1	2000966717	IHRWKRBJUMUUAZ-QCLAVDOMSA-N	245.323	-0.918	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1CC1(C(=O)NN)CC1	2004910775	ZAIPZVATGLXFLL-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CCC[C@H]1CCN(c2ncncc2B(O)O)C1	2004921152	SDEGSVWNSNYUOW-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
CO[C@@]1(C)CCN(c2ccncc2B(O)O)C1	2004935973	SMRUCTMJXRNFQY-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
CO[C@@H]1CC[C@@H](n2nc(C)c(B(O)O)c2C)C1	2013950693	AKIOJYLTDXCCSE-NXEZZACHSA-N	238.096	-0.080	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)C2(CC2)C1	2014772305	SLRUQVPTKCVFJW-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
C[C@]1(CCO)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2014780703	OJTTXYBNJOZBFI-JBLDHEPKSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H]1COCCN1c1ncc(F)cc1B(O)O	2014925653	DAZOFVVNLXTQNF-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@H](C(=O)NN)N1CCNC(=O)[C@H]1C(C)(C)C	2019799472	XTGSIAHTNDAFHQ-SFYZADRCSA-N	242.323	-0.789	50	10	BBGE	
COCC[C@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	2020068078	NVCRCJFIDXCVSG-WCBMZHEXSA-N	241.096	-0.124	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@@H](CO)CCC1(C)C	2025476053	MJYMMVQEYLDTCC-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H]2C[C@@H]2C1	2040767396	QZNBWLGZXXYDEE-AYMMMOKOSA-N	246.075	-0.254	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CCC[C@H]32)c1B(O)O	2052559333	ISAMPNLVHHOQTQ-NXEZZACHSA-N	247.107	-0.156	50	10	BBGE	
O=Cc1cc(Cl)c(F)cc1B(O)O	2060105928	NRTGJEBHGPALTQ-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
C[C@]12CC[C@]1(C)CN(c1ncncc1B(O)O)C2	2060857964	KCBZEFHQTWPNDO-VXGBXAGGSA-N	247.107	-0.217	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@H]3C2)ncc1B(O)O	2068130374	XGHPGDZDMOZAPK-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
C[C@@H]1CC[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	2214991824	MUPNAUCUWKYFOV-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](CO)C2)CCC1	2216527706	GRQMTPXCNBAPSN-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CCN1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217173531	RWGZALZCIYRGQR-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@H]1CCCO1	2217175888	OQCGPRONAIBXIG-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
CO[C@@H]1CCC[C@H]1Nc1ncccc1B(O)O	2217176022	QLDFAJHEVYBZED-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
N[C@@H](CNc1ncccc1B(O)O)C(F)(F)F	2217176713	ZOTBTVWCCXZYFE-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
Cc1cnc(NC[C@H](N)C(C)C)cc1B(O)O	2217180521	UDHCAFSQJYONGP-JTQLQIEISA-N	237.112	-0.535	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H](F)C2)c1F	2217184558	QAMKROTUVSXEQT-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
Cc1cnc(NCC2(CN)CC2)cc1B(O)O	2217185416	WYIPCHLXOBCNBR-UHFFFAOYSA-N	235.096	-0.779	50	10	BBGE	
CC[C@@H](N)[C@@H](CC)Oc1ncc(B(O)O)cn1	2217190384	CUKCBBIBXPKFHS-RKDXNWHRSA-N	239.084	-0.949	50	10	BBGE	
CCC[C@@](C)(N)COc1ccc(B(O)O)cn1	2217191728	FHXWATQGAGKIJV-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
C[C@@H](Cn1ccnc1)Nc1ncccc1B(O)O	2223631997	DKQYJPJPYVZWCG-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
C[C@]1(C#N)CCCN(c2ncc(B(O)O)cn2)C1	2223635933	CZWRGBINCFODKC-LLVKDONJSA-N	246.079	-0.714	50	10	BBGE	
Cc1cnc(NC2CN(C(C)C)C2)cc1B(O)O	2223653632	SVTZMUWZHLWKDY-UHFFFAOYSA-N	249.123	-0.426	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2CCCCN[C@H]21	2223673158	DWNCNLUXLRUIGU-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(N2CCC3(CCO3)CC2)c1	2223674144	NVYINKHNJCTNDF-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
O=S(=O)(NC[C@@H](O)CF)N1CC(Cl)C1	2241330944	GEFWAAFPADBSFC-LURJTMIESA-N	246.691	-0.926	50	10	BBGE	
CCOC(=O)c1cscc1B(O)O	2241494149	UYTOTMPHLDLCNM-UHFFFAOYSA-N	200.024	-0.395	50	10	BBGE	
C=CCCSc1ncncc1B(O)O	2241926860	CZTQJIOINUPEJN-UHFFFAOYSA-N	210.067	-0.175	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cscc2B(O)O)C1	2243348149	UPKJJEZRZXEBDH-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243349088	FSEZJZQYLJMVGT-KPCSLPGQSA-N	239.105	-0.188	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2243349499	MKQIKBHFHKACHX-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
O=C(Nc1csnn1)c1ccoc1B(O)O	2243356860	NWKGSNZSYPZSJN-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C[C@@H](NC(=O)c1csc(B(O)O)c1)C1CC1	2243357670	ZVUQXQQSEPJOCQ-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
CC(C)[C@H]1CCN(C(=O)C#CB(O)O)C1=O	2243357679	ZZZVHUQFKLADGR-MRVPVSSYSA-N	223.037	-0.967	50	10	BBGE	
O=C(NCC1CCC1)c1ccsc1B(O)O	2243358126	CKRKJHATRHQFFN-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CN(CCOC1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2243392230	SFIFPWXDOLREDA-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
C#CC1CC(NC(=O)C2CC(B(O)O)C2)C1	2243396103	HIVLLZOHHSUOCR-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
COC(C)(C)[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243396411	LTOUFOLJAULKQI-FXQIFTODSA-N	229.085	-0.221	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)o1	2243408344	LLLCXFSPDOFNAG-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)C1(B(O)O)CC1	2243411145	OQTVPXXKYNJIRI-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CSCCNC(=O)c1cc(C)c(B(O)O)o1	2243413428	GBEYXWQJLLIUPZ-UHFFFAOYSA-N	243.093	-0.639	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)cs2)C1	2243419815	HFWDBXJVTDTLON-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
C=C(C)C(=O)NCc1sc(C)cc1B(O)O	2243679090	SJLNLCQHUVBSGA-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2243753605	WRSLDHIBDJMTJP-VTSJMVTISA-N	229.041	-0.924	50	10	BBGE	
C[C@@H]1[C@H](C(=O)NCCC#CB(O)O)C1(F)F	2244547030	UWLDJNIIEDJCIA-RNFRBKRXSA-N	231.007	-0.591	50	10	BBGE	
Cc1nn(C)nc1N1CCC(O)(C#N)CC1	2245451887	IPMAOOFXEOOMKK-UHFFFAOYSA-N	221.264	-0.022	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1coc(B(O)O)c1	2247722391	MDSDSXYFGHWVBU-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
COC[C@H]1CC[C@@H](CNC(=O)C#CB(O)O)C1	2247741130	VDFJFWALOMXFJJ-ZJUUUORDSA-N	239.080	-0.819	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccccc1C(=O)O	2247742023	JLUSFFJSPXVHPB-UHFFFAOYSA-N	232.988	-0.661	50	10	BBGE	
CO[C@H]1CCCCC[C@H]1NC(=O)C#CB(O)O	2247746893	FVLNGJJRBDJOSW-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2247753319	FJVYPKXIVXZKDY-XHNCKOQMSA-N	239.080	-0.180	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1CO	2247756077	LCNLMYIAXVCUDO-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(B(O)O)n[nH]1	2247785978	UATSTHKOCOWMLL-BQBZGAKWSA-N	237.068	-0.898	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799072	ZMBUEBPERNEDCR-FTYOSLGDSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247800823	TZGJDAFOFNSASW-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247803689	CPXPRJCGBDWXJP-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@@]12CCCN(CC1)C2)[C@H]1C[C@H]1B(O)O	2247806046	CYZJNJQYYHFULP-NGZCFLSTSA-N	238.096	-0.796	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCCC12CNC2	2247808611	VNRZICIPKZIWJB-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)C#CB(O)O)CCO1	2247848137	HQIXHMYISWUXJF-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccc(B(O)O)cn1	2247851841	KXDVNUCDFJTXGZ-UHFFFAOYSA-N	240.043	-0.761	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CCCF	2247852925	CENSNYKEYIJJTG-UHFFFAOYSA-N	243.043	-0.301	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCOC2)c1	2247853758	QVKNLMVSBZSYGI-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1C[C@@H]2O	2247859860	QGOJPUHZZOSRMS-VFCFLDTKSA-N	239.080	-0.779	50	10	BBGE	
N[C@H]1CC12CC(NC(=O)C1(B(O)O)CCC1)C2	2247879646	WRAKYBOEHYPIDY-ZCUBBSJVSA-N	238.096	-0.621	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)nn1C	2247886429	BNWOZBPNVXIBRZ-RKDXNWHRSA-N	237.068	-0.792	50	10	BBGE	
COCC1(N(C)C(=O)C2CC(B(O)O)C2)CC1	2247892069	SYKJHBDAWALECZ-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC12CCN(CC1)C2)[C@@H]1C[C@@H]1B(O)O	2247895447	SPNIHAUAYZZKMM-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
CN(C)C1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247895850	BTHZIRMCDTXKBE-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@@]1(CO)C2	2247896209	FCCXGAYYAFFWDN-KBIXCLLPSA-N	239.080	-0.777	50	10	BBGE	
O=C(NC1CN(CC2CC2)C1)[C@H]1C[C@@H]1B(O)O	2247898831	IATVEXQCELDHQD-UWVGGRQHSA-N	238.096	-0.940	50	10	BBGE	
C[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898921	ISIMQQVHJLZRCQ-NGZCFLSTSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247911898	YLMDQHFFGNDWHT-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H](F)CNC(=O)Nc1ccccc1B(O)O	2247970505	JSOMSWJFFFPOBK-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
O=C(C1=COCCO1)N1CCC(B(O)O)CC1	2249377380	DRRVLJOVEFXHET-UHFFFAOYSA-N	241.052	-0.660	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)co2)[C@@H]1C	2249415772	ISWYYLFMCXLENE-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
CC(C)(NC(=O)c1cc(B(O)O)co1)C1CC1	2249420831	YYOBMJRMJSDYOA-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cocc1B(O)O	2249420994	BBILOQNWBFQBHP-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
CC(F)(F)CCNC(=O)c1cc(B(O)O)co1	2249428097	CAAKAFDONSWKJZ-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2255481848	MMFPDSWRWZRXAY-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3occc3B(O)O)[C@@H]1C2	2255487851	VXQNSGRWQNZRTG-LPBBDHJYSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1occc1B(O)O	2255491559	YSAQNSUCBKMSPS-HRDYMLBCSA-N	249.075	-0.265	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1ccc(C)c(B(O)O)c1	2255514469	JAAXXRHIHWRDAX-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ccc(B(O)O)cn1	2255517297	BFDYIKMCMGPETM-SNVBAGLBSA-N	246.075	-0.400	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1n[nH]cc1B(O)O	2255553900	FDIMZXNHUWGYBC-IEIXJENWSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H](C2CC2)C1	2255681135	PPZYQEONMXCXKV-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1cncc(B(O)O)c1	2255718093	UCGHMMJFIZMGAT-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C1CC1	2255720440	OAAFNLPBNBUCKC-VHSXEESVSA-N	249.075	-0.204	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1ccoc1B(O)O	2255722900	VKQXSDDFGCMJNO-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
C[C@H](O)CC(=O)N1CCc2cc(B(O)O)ccc21	2256675351	GECGWMKVVXVIAK-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)c1cn[nH]c1	2258131244	RTIOQYHAMWJSHS-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cc(B(O)O)co1	2258135827	UTYFIWMBSZLATN-FNCVBFRFSA-N	247.059	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2CCN[C@H]2C1	2298368851	AHJKKCDFNWZAKL-RGOKHQFPSA-N	238.096	-0.940	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@H](B(O)O)C1	2298371826	WYPBXNHLQKZXQK-RXKWGBCNSA-N	239.080	-0.325	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298374670	HYIHPVPQJQTFBU-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298377467	RVRYRTTUSFRXOH-FHNUBNKASA-N	238.096	-0.813	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC[C@H](O)C1	2300374964	XGWPUGXABCUMLK-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)[C@H](CF)[C@H]1OC	2302218453	UVKXNKZBLRLUEB-FNCVBFRFSA-N	249.286	-0.952	50	10	BBGE	
C[C@H](O)CC1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	2302435387	AQBUEROGQBFUCD-OFLUOSHYSA-N	241.335	-0.010	50	10	BBGE	
CCN1CC(CN2[C@H]3CC[C@H]2C(=O)OC3=O)C1	2303144362	JNSPIPLLMPPGMT-UWVGGRQHSA-N	238.287	-0.146	50	10	BBGE	
O=C(Nc1cc(F)c(F)cc1B(O)O)C1CC1	2306886001	FEBTUZUGAMZLEK-UHFFFAOYSA-N	241.002	-0.007	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCC[C@@H]1N	2317151151	NNXZTABOCCNOIH-CMPLNLGQSA-N	246.075	-0.503	50	10	BBGE	
O=Cc1ccc(N2CCO[C@@H]3C[C@H]32)cc1B(O)O	2317350045	MUJHRLSVYDUPBH-VXGBXAGGSA-N	247.059	-0.844	50	10	BBGE	
N#CCN(CC#N)C(=O)NC(=O)CCl	36905872	DEQFJKNPQMOEBK-UHFFFAOYSA-N	214.612	-0.189	50	10	BBGE	
CC(=O)c1cc(C(=O)NN)c(=O)[nH]c1C	38875525	ADWUAVIERBPEHG-UHFFFAOYSA-N	209.205	-0.511	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCn2ccnc2C1	82469248	JWPBAIQLCGXQPL-ZETCQYMHSA-N	209.253	-0.923	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C)CCC(=O)NN	82471156	SSEMKIGZJRSHRG-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CCc1nc(CC)n([C@@H](C)C(=O)NN)n1	84066045	SPBYXXUYSFAPBU-LURJTMIESA-N	211.269	-0.046	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@](C)(O)C1	159498386	YHYXDAUEADLJQK-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
CCOC(=O)NS(=O)(=O)NCCCl	168535428	ODWWFABVBXZSMZ-UHFFFAOYSA-N	230.673	-0.194	50	10	BBGE	
CCc1oc(C(=O)NNC(=O)CO)cc1C	182757534	YATSBLNGIGJPNL-UHFFFAOYSA-N	226.232	-0.096	50	10	BBGE	
COCOc1ccc(B(O)O)c(OCOC)c1	197401148	RUZDOQJUBPXMBG-UHFFFAOYSA-N	242.036	-0.668	50	10	BBGE	
NCc1cccc(-c2cncc(B(O)O)c2)c1	204249058	YXYZLXHQTCXRCS-UHFFFAOYSA-N	228.060	-0.113	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC(=O)NC1CC1	211937708	CGANYKJGVIMRRP-SECBINFHSA-N	242.323	-0.645	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)CC[C@@H]1C	230357233	IPSSGPZBQUUAPZ-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
COC(=O)N[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	252799648	SSTSQCKXAINDTL-JGVFFNPUSA-N	244.295	-0.957	50	10	BBGE	
CN(C)CCCNC(=O)CCNC(=O)CCl	258855383	BQYGZRZFTBRHPO-UHFFFAOYSA-N	249.742	-0.201	50	10	BBGE	
CCNC(=O)CS[C@@H](C)[C@@H](C)C(=O)NN	300827360	JUDOKHMQNJQKJB-RQJHMYQMSA-N	233.337	-0.130	50	10	BBGE	
CC(C)[C@H]1OC[C@H](O)/C1=N/NC(N)=O	306285374	UHZIUUZNHUYJNN-HCWWTPKWSA-N	201.226	-0.574	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1Oc1cncc(B(O)O)c1	310534186	OVFLSKZSDKCZMD-MNOVXSKESA-N	237.064	-0.292	50	10	BBGE	
CCCC1(O)CN([C@@H](C)[C@H](C)C(=O)NN)C1	384148792	OTFPUBNQDMQDDE-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
N#C/C(N)=C(/C#N)NC(=O)C(F)(F)F	384186101	KJFGNZYFEZQSEK-ONEGZZNKSA-N	204.111	-0.118	50	10	BBGE	
CCN1CC(NS(=O)(=O)CCCl)C1	393683570	SQYLQLHRVQQSBS-UHFFFAOYSA-N	226.729	-0.151	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(CO)cc(B(O)O)c1	396040766	MXXCEIZIYDHALJ-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
CCOC(=O)CCc1cc(O)cc(B(O)O)c1	396050388	GAALQYZPLBFKAQ-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
N#Cc1ccc(B(O)O)cc1CCC=O	396093263	IFVRWHXFMMFNKJ-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
O=Cc1cc2cc(B(O)O)c(CO)cc2s1	396331893	FMCLNSFHSYJXEI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1COC(C)(C)C1	396561605	TWQIMIRFCPFWOU-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CNC(=O)CCS[C@H](C)[C@H](C)C(=O)NN	399215646	TZEZDSMIYUHXCA-NKWVEPMBSA-N	233.337	-0.130	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1	404904189	BINADBOKPGATIX-ZETCQYMHSA-N	223.037	-0.660	50	10	BBGE	
CN(C)C[C@H]1CCCN(CC(=O)NN)C1	405198508	QGQIPYRZRVMIBK-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(B(O)O)cc1	584982981	JXOUQALIQHPALM-NWDGAFQWSA-N	245.087	-0.105	50	10	BBGE	
CO[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)NN	687454442	QMTHLIZJFHBTNS-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
O=C(O)[C@@H]1OC[C@H](CCl)[C@H]1[N+](=O)[O-]	687759385	GOZHBJWNIQHRJX-VPENINKCSA-N	209.585	-0.030	50	10	BBGE	
C[C@@H](CN)S(=O)(=O)N1CCC(O)(C#N)CC1	692096929	FQTCZIMRBSGVHO-QMMMGPOBSA-N	247.320	-0.986	50	10	BBGE	
Cc1ccc(Cn2ccc(B(O)O)n2)cn1	694267853	DXOPSSQFEFTKPH-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
CO[C@H]1CCC[C@@H]1n1cc(B(O)O)cn1	694545015	VBHYYLLRMYVIKC-IUCAKERBSA-N	210.042	-0.697	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(COC2)C1	697133452	ODDROJWWTGEJNJ-HTQZYQBOSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)C[C@@](C)(C(F)F)O1	698921553	ZMGTYSLHAIJTRM-MUWHJKNJSA-N	237.250	-0.279	50	10	BBGE	
CN(C(=O)CCCl)[C@H]1COC[C@H]1O	709105495	BSHGWTZUFGYWHC-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
COC[C@H](ON)C(=O)NCC(Cl)Cl	710570941	BYMBDGBAFXZAKN-BYPYZUCNSA-N	231.079	-0.188	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](F)[C@H](F)C1	714558487	NVDYQTYBCICYJV-RULNZFCNSA-N	221.251	-0.007	50	10	BBGE	
CN(CCC(=O)NN)CC1CSC1	718294907	OFBBMQDNIPLPFR-UHFFFAOYSA-N	203.311	-0.339	50	10	BBGE	
CCNC(=O)N(C)NS(=O)(=O)CC1CC1	782478950	WBDXFVIZIPEVNX-UHFFFAOYSA-N	235.309	-0.108	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(O)(C#N)CC1	821981825	YPVHXFUBTDBBQD-VIFPVBQESA-N	240.307	-0.505	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)NNc1nnc(C)n1C	856050435	PDKYQQWGUXUUQH-YUMQZZPRSA-N	239.279	-0.008	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc(C(F)F)o1	863903560	LHMQQUPFHONZEK-UHFFFAOYSA-N	234.158	-0.030	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@]12C[C@@H](N)C[C@@H]1C2	870926331	ZRMLESCXYAPQLV-FYBVGQRMSA-N	240.307	-0.194	50	10	BBGE	
O=C(CN1CCCC1=O)NNC(=O)C1(F)CC1	913733477	KIKVOUNTJBSEDV-UHFFFAOYSA-N	243.238	-0.742	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ncc(F)cn2)O1	1118996772	QPGXYPDOEPPXLH-ZCFIWIBFSA-N	240.194	-0.236	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H](CO)C(=O)OC	1136109914	QKRWFFSOZOWLJC-HYDMIIDASA-N	242.231	-0.920	50	10	BBGE	
CCCONC(=O)NNC(=O)c1ncon1	1312917704	HBIAHIPKEKHUOA-UHFFFAOYSA-N	229.196	-0.645	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	1328637919	VEBIOAJTSYPHFD-QYNIQEEDSA-N	248.229	-0.193	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F	1446048882	PTMGZOZVOIUOTJ-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
C#CCCCC(=O)NNC(=O)Cn1nccc1N	1635718950	WUHGJPGWRYRBGY-UHFFFAOYSA-N	249.274	-0.584	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC(O)(COC)C1	1637538674	UJRCCXJMINJJLK-WEVVVXLNSA-N	240.259	-0.350	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@H](N)CCCNC(=N)N	1866120102	VNBCAZZLEKOGFM-RNFRBKRXSA-N	249.746	-0.680	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@@H]1Br	1877356999	YZDKMYAQGZMWLL-GBXIJSLDSA-N	222.042	-0.531	50	10	BBGE	
NC(=O)CNC[C@H]1C[C@@H]1Br	1880107415	LSHVYDNGXZPXMJ-UHNVWZDZSA-N	207.071	-0.155	50	10	BBGE	
C[C@@H](Br)C(=O)NCC[C@@H](O)CO	1880868349	HYMOKDAHVZJOQF-PHDIDXHHSA-N	240.097	-0.371	50	10	BBGE	
N[C@H](CCO)C(=O)NC1CC(Cl)C1	1883267615	YIWYBWAXXYLVEY-KPGICGJXSA-N	206.673	-0.418	50	10	BBGE	
OC[C@@H]1CN(C[C@@H]2C[C@H]2Cl)C[C@H]1O	1883565066	YZACSRNYZPVTCG-RBXMUDONSA-N	205.685	-0.101	50	10	BBGE	
NC(=O)C1(NC(=O)C=CC(=O)Cl)CC1	1893404241	CWEONZSFDHEMOL-UHFFFAOYSA-N	216.624	-0.558	50	10	BBGE	
N[C@@H]1C[C@H](CNC(=O)/C=C/C(=O)Cl)C[C@H]1O	1897226814	LHILKLBISQUPFW-SXSRJLBYSA-N	246.694	-0.478	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@H](O)C[C@H]2C1)C(=O)NN	1898238919	UPFXSMVWUXOFCS-DJLDLDEBSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CO)N(C)CCC[C@H]1C[C@@H]1C(=O)NN	1900536017	XUWVYZXEISGKRP-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
CN(NC(=O)C1(CCN)CCC1)S(C)(=O)=O	1901338705	BJINXJGSAOUDBW-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]1(CN)C[C@H]1C	1901341305	SPRYAVNTWUFANZ-APPZFPTMSA-N	249.336	-0.716	50	10	BBGE	
Cn1ccnc1CCN1CC[C@@H](B(O)O)C1	1902505784	LTDNRNVCZJDKPN-SECBINFHSA-N	223.085	-0.489	50	10	BBGE	
CCCNC(=O)CN1CC[C@](C)(B(O)O)C1	1902517853	MLMBDCCZVABBRR-JTQLQIEISA-N	228.101	-0.549	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cocn2)C1	1902521930	LJBPLNPYEATKRG-VIFPVBQESA-N	224.025	-0.246	50	10	BBGE	
OB(O)c1csc(CN2CCC23CCC3)n1	1902641998	QBKVYYWPTKQGFI-UHFFFAOYSA-N	238.121	-0.049	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2COC[C@H]2O1)C(=O)NN	1904649306	RYTWKTYBLYEWFG-XHNCKOQMSA-N	229.280	-0.305	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C(C)=O	1909670273	FDCBFCJWOWDBNO-LPEHRKFASA-N	240.307	-0.940	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	1910103086	BDZFRPVOVWNUAD-XKSSXDPKSA-N	239.080	-0.514	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1914256008	NWYMSYDNOAUFNW-XAVMHZPKSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)C(F)(F)COCCOC1CC1	1927815982	FUFLCSXHMFVMKR-UHFFFAOYSA-N	224.207	-0.193	50	10	BBGE	
O=C(OCCl)N1CCOC[C@H]1[C@H](O)CO	1928573530	KNSMVFFVLBDVJK-NKWVEPMBSA-N	239.655	-0.627	50	10	BBGE	
C[C@H](Cl)[C@@H](C)NC(=O)Cn1cnnn1	1928696481	NZMCWFYKIKINNZ-NTSWFWBYSA-N	217.660	-0.195	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC(C)(C)CO	1931081045	UUKZGOIREYMTHA-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C(C)(C)CO	1931265139	KOOXDZTWPDZFCJ-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CN1CCC[C@H]2OCC[C@@H]2C1	1931682730	LWXVHBQRQBQUMO-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC(F)(F)CCN1	1933582751	DYJLVLYEOILZLE-ZCFIWIBFSA-N	207.224	-0.034	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1CO	1935929276	NWSTUMMDLGHIDD-RQJHMYQMSA-N	237.250	-0.828	50	10	BBGE	
COCCN(C[C@H]1C[C@H]1C(=O)NN)C1CC1	1936095147	ULZARHZCDLMFJB-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CN(C)C(=O)N(C)Cc1ccc(B(O)O)s1	1939884686	FSAVESYFGSBGTB-UHFFFAOYSA-N	242.109	-0.459	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](CO)C2(CC2)C1	1940643498	JRBGHQMBSMMXRK-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2OCCO[C@@H]2C1	1944745085	TUBGXMDOODZRSU-OPRDCNLKSA-N	243.307	-0.900	50	10	BBGE	
CN1CCC(=O)N(CC2(C(=O)NN)CC2)C1=O	1945895248	YZTFZLCCZYDTEI-UHFFFAOYSA-N	240.263	-0.959	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@H]1CN(C)C	1947728659	UYZYPXSOZHTEDX-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](OC)[C@@H]1C	1949587921	IXYYZISFIAVMBZ-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
COC1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1	1951319976	BNLPGMUAEIHDDZ-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
O[C@H](CBr)CN1C[C@@H](O)CO1	1953287329	GWUNHSYSKYOAMG-PHDIDXHHSA-N	226.070	-0.650	50	10	BBGE	
CCn1nnnc1CNC(=O)CBr	1953972929	WQEIDJYCWJAZLM-UHFFFAOYSA-N	248.084	-0.296	50	10	BBGE	
CC[C@@H](COC)N(C)CCC(=O)NN	1954920269	LKYHBNVYEBGNPZ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC1(C)CO[C@H](C(=O)NNC(N)=S)C1	1954962993	KBOCFPXEXRDIDQ-YFKPBYRVSA-N	217.294	-0.334	50	10	BBGE	
C[C@H](CCNC(=O)C(=O)NN)C(F)F	1954987748	XZJNMSSWKSYCAN-SCSAIBSYSA-N	209.196	-0.616	50	10	BBGE	
CC[C@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1956457904	JJILWHGBKHAZDY-DXRPGJJCSA-N	222.314	-0.671	50	10	BBGE	
N#C[C@@H](Cl)CN1CCS(=O)(=O)CCN1	1957241562	CUADDEHKUXGXFX-SSDOTTSWSA-N	237.712	-0.648	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@@H]2CC1=O)C(=O)NN	1958421374	DAIZDDTVBDVWEH-RNJXMRFFSA-N	211.265	-0.519	50	10	BBGE	
C=C(Cn1nc(C)c(B(O)O)c1C)OC	1961428092	GRGPMWFDCVNEKB-UHFFFAOYSA-N	210.042	-0.660	50	10	BBGE	
C[C@H](CN1CC[S@@](=O)C[C@H]1C)C(=O)NN	1961550212	AJPYGPSSDBTZLJ-KDZIRCDLSA-N	233.337	-0.935	50	10	BBGE	
O=C(CCn1cnnn1)NCC#CCCl	1974769866	BOOPQTIWDMBQRU-UHFFFAOYSA-N	227.655	-0.578	50	10	BBGE	
C=CC[C@@H](C)Oc1nc(C)ncc1B(O)O	1981422966	WSTXXMYBGOHFEJ-SSDOTTSWSA-N	222.053	-0.192	50	10	BBGE	
Cn1cc(Sc2ccncc2B(O)O)cn1	1981455049	UIDFJIRBORPPSD-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
Cn1nnnc1CN[C@@H]1CCOC[C@H]1CCl	1989875186	LNSMOJMKRGOLKS-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CC12CC2	1990776233	HVIXUMLLQWOTIU-SECBINFHSA-N	225.292	-0.114	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@H]1COC[C@@H]1O	1991649475	CHBACPZLKYZNBY-SFYZADRCSA-N	247.678	-0.178	50	10	BBGE	
C=C(CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)B(O)O	1992160441	WIZRNRKKYNHECP-UKKRHICBSA-N	223.081	-0.336	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C[C@]1(C)OC	1993564160	LKTIHCMSIDIGPV-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
CCON(CC)Cc1nn(C)cc1C(=O)NN	2003506638	XPTJXDIUFWYXJT-UHFFFAOYSA-N	241.295	-0.203	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](C3CC3)C2)nc1	2004915759	CTIHZKJKZLEPLO-SNVBAGLBSA-N	232.092	-0.002	50	10	BBGE	
COC(C)(C)CCOc1ncncc1B(O)O	2004928220	BVZDWOHCWIIOEM-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
CO[C@H]1CCN(c2ncccc2B(O)O)[C@@H]1C	2004930569	UTTILSYXAOQOBJ-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
COc1nc(N2CCC2(C)C)ncc1B(O)O	2005017716	JIUCIDKZGQLTGI-UHFFFAOYSA-N	237.068	-0.846	50	10	BBGE	
CC[C@@]1(C)CCN1c1nc(C)ncc1B(O)O	2007186612	VOUZNWCJCANYSM-NSHDSACASA-N	235.096	-0.156	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@@H](O)[C@H]1C2	2008044341	BZBKFNVSWPSPDV-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(C(=O)N(C)C)C1	2008307907	KRLOCVDNIVLHQL-SFYZADRCSA-N	242.323	-0.979	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CC1(C(=O)NN)CC1	2008786750	ZLQHHSGLFLQDTG-IVZWLZJFSA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ncn(C)n1	2008806701	GVELSPLAEZWELL-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C[C@@H](C)C(=O)NN)CCN2C1	2010601052	RODPXWJQOIMSQR-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1(CO)CC1	2012614961	IYLPKBWCEKZBRC-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
CC1(C)CCN1C(=O)c1ccccc1B(O)O	2022196004	FGMFBECJRLWQDN-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	2026810314	DFWIAQUQBNKVGF-CDDJKKQXSA-N	231.060	-0.205	50	10	BBGE	
Cc1nccnc1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2028050611	ILTSHXXPEHINLX-ZJUUUORDSA-N	249.318	-0.157	50	10	BBGE	
CCc1nc(C)cn1-c1ncc(B(O)O)cc1F	2052597530	RJAMLHRATURPQH-UHFFFAOYSA-N	249.054	-0.043	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])cc(F)c1B(O)O	2060170535	KGDZIQMRSNKVSD-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1cc(OCC2[C@@H]3COC[C@@H]23)ccc1B(O)O	2068641171	ZMHYXVAEHTVPFV-GHMZBOCLSA-N	248.087	-0.054	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccnc(O)c1	2076079697	RURJTHXLSAEFLA-SECBINFHSA-N	248.047	-0.382	50	10	BBGE	
CO[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1	2079007869	AVXRNVPUDWYMIE-GXSJLCMTSA-N	249.075	-0.869	50	10	BBGE	
Cn1cncc1COCc1cccc(B(O)O)c1	2080317126	YNQSDCIZBSNTAN-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
CCc1conc1C(=O)N1CC[C@@H](B(O)O)C1	2208731589	IGKNFAIKVIWQNN-MRVPVSSYSA-N	238.052	-0.074	50	10	BBGE	
CCON(Cc1nscc1B(O)O)C(C)C	2211136797	WBZSVABPRGFLRC-UHFFFAOYSA-N	244.125	-0.015	50	10	BBGE	
CCc1ccn(-c2cc(B(O)O)ccn2)n1	2212594998	MSZLWUVPWURNHB-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
COC(C)(C)COc1cc(B(O)O)ccn1	2212609016	XTDFDAZGCXSNLL-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
CC(C)(CN)CNc1ccc(B(O)O)cn1	2212610907	QYMPIKQUWCIJJZ-UHFFFAOYSA-N	223.085	-0.842	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)c1ccc(=O)n(C)c1	2213168349	SGCFMUYCWZOHIE-VIFPVBQESA-N	238.291	-0.410	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H](O)C2)CCC1	2216495246	MCBWWYMRTSYRIH-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cccnc1Sc1nccc(O)n1	2217167306	MZLIVDBOMJUIMB-UHFFFAOYSA-N	249.060	-0.592	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2C(F)(F)F)c1	2217174217	XLLQHNFSONOGPV-ZETCQYMHSA-N	245.997	-0.098	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)CC1(F)F	2217176328	VBGWYQFYPXHXAF-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3C[C@H]3C2)nc1	2217178141	RZDSCGVENGSKLV-KHQFGBGNSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2ncc(B(O)O)cn2)O1	2217178771	ZMRSWDCUGWNLRQ-APPZFPTMSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(N2CC(C)(CF)C2)cc1B(O)O	2217180395	SPYIVPGFSGNNKV-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCC[C@@H]2O)c1F	2217183507	IQGZQEWQIYFVSJ-SFYZADRCSA-N	240.043	-0.774	50	10	BBGE	
CC1(C)NCC[C@@H]1Oc1ccc(B(O)O)cn1	2217183888	LLZCAXGSADHWRN-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1CC[C@@H](Oc2ncccc2B(O)O)CN1	2217185375	WCVKGSKAQWWFNY-RKDXNWHRSA-N	236.080	-0.719	50	10	BBGE	
CC[C@H](N)C(C)(C)Oc1ncccc1B(O)O	2217185923	DCCFCCYRXUNAIN-VIFPVBQESA-N	238.096	-0.344	50	10	BBGE	
C#CCN(CC#CC)Cc1cccc(B(O)O)c1	2220054065	ONHMMWDSTNXNSX-UHFFFAOYSA-N	241.099	-0.175	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CC(CO)C1	2220065743	QUMRIVDXNJKYHX-UHFFFAOYSA-N	249.119	-0.431	50	10	BBGE	
CO[C@H]1CC[C@@H]1C(=O)Nc1cccc(B(O)O)c1	2220587975	JNEYJRFFGVQBGL-QWRGUYRKSA-N	249.075	-0.270	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2C[C@H]3C[C@@H]3C2)n1	2222685995	CVDSAGIYZMXOAZ-RKDXNWHRSA-N	248.091	-0.049	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@]23CCOC3)c1	2223632527	KXUQDGBXSBDIOB-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
CCCN1CC[C@@H](Nc2ncccc2B(O)O)C1	2223636436	JMMFGNXKLQLFGV-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(NC2([C@@H]3CCCO3)CC2)nc1	2223652752	LCZMZLILSJUHLP-JTQLQIEISA-N	248.091	-0.115	50	10	BBGE	
CC[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CN1	2223670233	UTQUYXLKDIRUGQ-QWRGUYRKSA-N	249.123	-0.296	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C(F)(F)F	2241555004	JBUTXZQCORLVKE-UHFFFAOYSA-N	233.942	-0.738	50	10	BBGE	
COc1ccc(NC(=O)C(=O)NN)c(C)n1	2243326681	CMJBSBXKXKBHFO-UHFFFAOYSA-N	224.220	-0.673	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccoc1B(O)O	2243348868	BBJRSOMGNBJIPJ-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
C=C[C@H](C)NC(=O)c1nc(C)sc1B(O)O	2243359459	UBMTXHCWKUBQHQ-YFKPBYRVSA-N	240.093	-0.564	50	10	BBGE	
Cc1ccnc(NC(=O)C2(B(O)O)CC2)n1	2243364160	SARJUNJKSLYBHE-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)[C@H]1C[C@H]1B(O)O	2243397302	YPYXJCIURGPUJD-XKSSXDPKSA-N	228.101	-0.661	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2CSC[C@@H]2C1	2243401553	SRPTVAPUCOAEGG-AYMMMOKOSA-N	239.105	-0.740	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243403835	DNMPUBWROXWWGJ-ABIFROTESA-N	226.085	-0.765	50	10	BBGE	
O=C(N[C@@H](CO)CC(F)F)C1(B(O)O)CC1	2243409334	GDEIRFDGMKFQHD-RXMQYKEDSA-N	237.011	-0.874	50	10	BBGE	
C[C@@H](CC[S@](C)=O)NC(=O)C1(B(O)O)CC1	2243410667	FWUFXDYDJIVJDY-GYKQLYQFSA-N	247.125	-0.733	50	10	BBGE	
CN(CCCF)C(=O)c1occc1B(O)O	2243411267	QSFBFQBHRPSDOM-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H]2CCC[C@H]21)B(O)O	2243412647	QRMNFVLQZUFHRO-DTWKUNHWSA-N	245.109	-0.631	50	10	BBGE	
C=C=CCC(=O)Nc1cccc(B(O)O)n1	2243679218	UPSHWTWXTPUAKO-UHFFFAOYSA-N	218.021	-0.569	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cocc1B(O)O	2244216217	JCVVYWNYNXJEIB-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
OB(O)c1cc(=NCCCCF)[nH]cc1Cl	2245912507	BDTICRZLBZTXQC-UHFFFAOYSA-N	246.478	-0.002	50	10	BBGE	
C[C@@H](O)CCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912688	FJBZBRKXCJCFAE-ZCFIWIBFSA-N	244.487	-0.981	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccsc2B(O)O)C1	2247745679	NDTJZUPLUPHFSV-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1COC2CC1C2	2247756202	RXHLEMFDGSOVIX-HACHORDNSA-N	239.080	-0.371	50	10	BBGE	
C[C@H]1CCO[C@H]1CNC(=O)C1(B(O)O)CCC1	2247758283	YVWOLFQUTGXYDL-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)C2(B(O)O)CCC2)C1	2247758677	WJUUHZGZIUCVEE-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ncccc1B(O)O	2247769801	AQGHKKAQKNTLFN-SSDOTTSWSA-N	240.043	-0.761	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785228	HUIQVKYAYKKCGB-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)C1CC(B(O)O)C1	2247805006	ABUGCZQUEKZGPO-RTBKNWGFSA-N	243.112	-0.141	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2247805711	KRRXHISBKFCFBD-JGVFFNPUSA-N	236.036	-0.108	50	10	BBGE	
CN(C)CCCC(C)(C)NC(=O)C#CB(O)O	2247848266	JMDZVPZFRIDPOM-UHFFFAOYSA-N	240.112	-0.762	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)C1N	2247851584	HANWBXBQKQZZPP-FNCVBFRFSA-N	240.112	-0.709	50	10	BBGE	
CC(C)[C@H](CN(C)C)NC(=O)C1(B(O)O)CC1	2247855861	ZFUVXBNCCAQDLV-VIFPVBQESA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@@H](O)[C@H]1C2	2247860650	ZLDQMYNVKGRMBA-VVULQXIFSA-N	239.080	-0.779	50	10	BBGE	
NCCN(C(=O)C1(B(O)O)CC1)C1CCCC1	2247870976	UBJJBIZOOLTXCE-UHFFFAOYSA-N	240.112	-0.277	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC([C@H]2CC2(F)F)C1	2247899608	ORGTVUUCLZTFBE-PRJMDXOYSA-N	245.034	-0.037	50	10	BBGE	
C#CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900702	ZAEMUPGVWMFYET-UTLUCORTSA-N	237.064	-0.900	50	10	BBGE	
CC12CCC(CC1)N2C(=O)c1cc(B(O)O)c[nH]1	2255468117	WIOIZZIZGYKGDP-UHFFFAOYSA-N	248.091	-0.148	50	10	BBGE	
C=C1CN(C(=O)c2ccc(OC)c(B(O)O)c2)C1	2255503437	DLCUJWFOHAXFMI-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)c1ccoc1	2255548171	SANGJOQUDFMCQW-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1cn[nH]c1	2255680625	ZRUMNALZOMKEHY-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)cn1CC	2255718646	CSSMJNIDOGDPPV-UHFFFAOYSA-N	248.091	-0.671	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2CC(C2)C1	2255721074	UAIARABVNHQKIH-UHFFFAOYSA-N	249.075	-0.250	50	10	BBGE	
Cc1cc(CNC(=O)c2cc(B(O)O)co2)co1	2258133753	JOADYOQILWDQRN-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1cocc1B(O)O	2258135209	ZHRFNEWBDFDTEU-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C#CC1(NC(=O)c2ccc(F)cc2B(O)O)CC1	2258948305	VLNWRAVHIRIIGA-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
COC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C	2298368472	GSIRGPLKPLRSPU-KYXWUPHJSA-N	241.096	-0.410	50	10	BBGE	
CCN(C[C@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298376387	URBNIQVWIULPDQ-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377116	FDYRURUIMKMDRU-BZNPZCIMSA-N	245.059	-0.565	50	10	BBGE	
CN(C)C1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300370301	KBQKRAPJECHOGM-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](O)CNc1ccc(B(O)O)cc1C#N	2301338967	OJITUDIFEOLKAZ-SNVBAGLBSA-N	234.064	-0.579	50	10	BBGE	
CCOC(=O)Nc1ccc(OC)c(B(O)O)c1	2301547967	PCBVSVJLVBEANH-UHFFFAOYSA-N	239.036	-0.057	50	10	BBGE	
O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CC[C@H](B(O)O)C1	2303100970	DUNWSNORUHFBOC-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
Cn1cnc(C(=O)N2CC[C@@](C)(B(O)O)C2)c1	2303106034	RVYFUKQKCIPDLL-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
CC(C)n1ncnc1[C@@H](C)N(C)CC(=O)NN	2303243431	BRXZGUQFSOTBDZ-MRVPVSSYSA-N	240.311	-0.158	50	10	BBGE	
CO[C@H](C)CCN=c1cc(B(O)O)c(F)c[nH]1	2303834440	GDPIOZWJHPAICF-SSDOTTSWSA-N	242.059	-0.841	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)[C@@H](C)CO	2303847997	RRAXDLRIFMOVQV-BQBZGAKWSA-N	242.059	-0.671	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2303967802	RPYWTQKYALHNSF-ZYUZMQFOSA-N	239.080	-0.443	50	10	BBGE	
Cc1ccnc(Cn2cccc(B(O)O)c2=O)c1	2320498129	USFKOBQMXMXYPG-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCN(CCO)CC(=O)NNc1ccccn1	49754892	DPIAQVFLJYMPPW-UHFFFAOYSA-N	238.291	-0.161	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CCN(C)CC1	58837658	YFIHSOMHOGMZAF-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)c2c(N)cccc2O1	74405959	QEAUVTHKGNKQNQ-ZETCQYMHSA-N	236.275	-0.154	50	10	BBGE	
CCCN(CCC(=O)NN)CCN(C)C	82471026	VLUXWEHYEFGOQZ-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSc2ncn[nH]2)O1	82471860	GPOKLKKBFWLCII-NTSWFWBYSA-N	243.292	-0.566	50	10	BBGE	
Cc1cc(=O)[nH]c(S[C@@H](C)CC(=O)NN)n1	82471975	DQHILNVNMROZLJ-LURJTMIESA-N	242.304	-0.061	50	10	BBGE	
C[C@@H]1C(=O)N(CC(C)(C)C(=O)NN)C(=O)[C@H]1C	118836141	PJUUMKXWUWBEMA-BQBZGAKWSA-N	241.291	-0.357	50	10	BBGE	
CN(C)NC(=O)NC1(C(=O)O)CCOCC1	149149597	LXEUGQBVDUKJGM-UHFFFAOYSA-N	231.252	-0.604	50	10	BBGE	
CC[C@H]1COCCN1Cc1ccc(B(O)O)cc1	199009747	FADJSPXJZGZQLR-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
COc1ccccc1-n1cc(B(O)O)cn1	203614981	KBYLXGSYULTDCH-UHFFFAOYSA-N	218.021	-0.439	50	10	BBGE	
CCN(C[C@@H]1CCCO1)[C@@H](COC)C(=O)NN	232419652	ZDEVWEVQEOPCRD-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CS[C@H]1CC[C@@H](NC(=O)C(=O)NN)C1	235079551	WRGGXIVZRKNELK-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
CC(C)C[C@H](N=C=O)C(=O)NCC(=O)O	238194633	UBOAHRHNATVNRC-ZETCQYMHSA-N	214.221	-0.062	50	10	BBGE	
COc1ncnc2ccc(B(O)O)cc12	238436555	LBJHNYMSSMDAEF-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
Cc1[nH]c(=O)[nH]c(=O)c1C=C(C#N)C#N	238484630	IOZMVEKZYAIPMS-UHFFFAOYSA-N	202.173	-0.198	50	10	BBGE	
NNC(=O)Cc1n[nH]c2cc(O)ccc12	238660057	FASHXVUGIUHVTF-UHFFFAOYSA-N	206.205	-0.199	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@H]1C	251265180	ZJOFIBLEABDSLA-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
CCN(CCCO)[C@H](C)[C@H](C)C(=O)NN	252911695	IEGMDZRPCACAPF-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
CO[C@@]1(C)CCN([C@@H](C)C(=O)NN)C1	306370290	GIQSBLJYCRVVEM-CBAPKCEASA-N	201.270	-0.524	50	10	BBGE	
CCN1CCCN([C@H](C)CC(=O)NN)CC1	307856692	FHBOSSCDMKFNED-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCOC(=O)[C@@H](N=O)C(C)=NNC(N)=O	308675321	ILXJFACPLDYPMF-YFKPBYRVSA-N	216.197	-0.271	50	10	BBGE	
CCN([C@H]1CCOC1)[C@@H](C)C(=O)NN	379506524	QQTMINSNIHCNJV-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CB(O)c1cc(B(O)O)cc(C(F)(F)F)c1	381550399	MLJVZSALHZWEDC-UHFFFAOYSA-N	231.775	-0.794	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CN(C)CC[C@H]2C1	381687204	YXQLHSFRHJIFSZ-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CN(C)C)C1	382366501	XYYQHCDXAFEEKU-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C[C@H]1O	388617716	NDYHCZFFJBVAKM-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CO[C@H](C)CN(C)[C@@H](C)[C@H](C)C(=O)NN	389370103	KLLKXDDKGPHUPM-VGMNWLOBSA-N	217.313	-0.032	50	10	BBGE	
CC(C)(CCn1cccnc1=O)C(=O)NN	395732172	XMVOJDDZHSLERF-UHFFFAOYSA-N	224.264	-0.351	50	10	BBGE	
Nc1c(B(O)O)c(C=O)cc2ccsc12	396232979	BDPMLZHDKMEGDC-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@@H](C)[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396799716	XQDVXZZYBMEICM-FXAINCCUSA-N	237.108	-0.227	50	10	BBGE	
CNC(=O)[C@H]1CCN(C(=O)NC(=O)CCl)C1	398490380	RWORLEIDFYJUSL-LURJTMIESA-N	247.682	-0.471	50	10	BBGE	
CNC(=O)CCSCC(C)(C)C(=O)NN	399194242	KQDOOBCCKMDRKF-UHFFFAOYSA-N	233.337	-0.128	50	10	BBGE	
CN(C)C(=O)NCc1ccc(B(O)O)s1	405152910	UFDOGVVZACSCAF-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2COC[C@H]2C1	690710881	IBFWABCPRCKYOT-DTWKUNHWSA-N	213.281	-0.665	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H]1CCO	694918614	FXMWYMJCANYKRB-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@@H](CO)C1)C(=O)NN	700396792	DOIZEALIMGMYGR-OPRDCNLKSA-N	229.324	-0.437	50	10	BBGE	
COc1ccc(B(O)O)cc1OC[C@H](C)OC	700786158	RSKYXGIXPGZRQI-QMMMGPOBSA-N	240.064	-0.211	50	10	BBGE	
COC(=O)C[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703439857	RAZYAMAQYZZBJU-CSMHCCOUSA-N	241.243	-0.146	50	10	BBGE	
C[C@H]1COC[C@H]1OC(F)(F)C(=O)NN	705853089	DHDXSRQSUBLZFC-CRCLSJGQSA-N	210.180	-0.379	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCC[C@H]1O	708051589	QLCPQYFRYYPDFP-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CC(C)(C)[C@H]1CN(C(=O)C(=O)NN)CCO1	708948805	ZOJRQYFZBZWHCC-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@@H](C)C(=O)NN	709378392	QROGKXWOOLARIV-BQBZGAKWSA-N	201.270	-0.790	50	10	BBGE	
CCC[C@@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710196592	PNFQWIRFPPJZGT-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CN1CCC[C@H](C(=O)NNC(=O)C2CC2)C1=O	899938255	YUEFRWKYVJESIW-MRVPVSSYSA-N	239.275	-0.588	50	10	BBGE	
CON=CC(=O)NNC(=O)NC1CCCC1	1142814185	QGXKYQSWMSVIHO-UHFFFAOYSA-N	228.252	-0.108	50	10	BBGE	
Cc1nc(C(=O)NNc2nccn(C)c2=O)co1	1472524206	LHUVQMUCTFFPTF-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(C(N)=O)o1	1631398107	BNEVVYIUQWWLAN-UHFFFAOYSA-N	240.219	-0.706	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(C(N)=O)[nH]1	1638573682	GSPYSNQGJUTZRG-LURJTMIESA-N	240.263	-0.929	50	10	BBGE	
COCCN(C)NC(=O)c1c[nH]nc1C	1640520250	WKYLMKNWMVAZFG-UHFFFAOYSA-N	212.253	-0.059	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883644909	KFRIPJTWWYCHGQ-BNHYGAARSA-N	205.641	-0.822	50	10	BBGE	
CO[C@@H](C)CCN(C)CCC(=O)NN	1885396282	FZHDYASTLJIQNY-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
O=C(F)N1CC(NS(=O)(=O)C2CC2)C1	1887189087	ZVSGUSFBBYDIAJ-UHFFFAOYSA-N	222.241	-0.158	50	10	BBGE	
CCC[C@@H](N)C(=O)NN(C)S(C)(=O)=O	1888605679	NYOVEFVSEDZQRQ-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
NC(=S)NNC(=O)[C@]12C[C@H](CCO1)C2	1892829015	QSFGTELFBWWACW-AENQLZEMSA-N	215.278	-0.580	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)NCC1CC(Cl)C1	1893509307	LRTPOUGIDJAIKX-FACXLHOTSA-N	220.700	-0.172	50	10	BBGE	
COCc1ccc([C@@H](N)B(O)O)s1	1893624407	OVRXNGYRMPDLDX-SSDOTTSWSA-N	201.056	-0.094	50	10	BBGE	
NNC(=O)COC[C@@H]1O[C@H]2CC[C@H]1C2	1893709442	SXLLPEOQUSXOMI-FXQIFTODSA-N	200.238	-0.440	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[S@]1=O	1895089633	LJQWKWRQCGIFED-OXQWBGKKSA-N	245.348	-0.935	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)[C@H]1C	1896022353	JNFWRLKPGPJTHL-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@@H]1C(C)C	1896024191	YGJAIMGLGKBDJB-HTQZYQBOSA-N	229.280	-0.752	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N[C@H]1CCC=C1B(O)O	1897137657	JTNPBYLKYLJTRL-BWVDBABLSA-N	245.109	-0.585	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cnsc1B(O)O	1900440533	LUZHKQHLVQQUNT-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
CO[C@@H]1COC[C@H]1N1CC[C@@](C)(B(O)O)C1	1902549432	BNOKBPICIFYETN-OPRDCNLKSA-N	229.085	-0.661	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C(=O)NC(=O)CCl	1916839895	SQZWBSWVAXUCKS-YFKPBYRVSA-N	235.671	-0.472	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC=C(C#N)CC1	1917081933	IMBNSHPNDKWRMT-UHFFFAOYSA-N	245.260	-0.257	50	10	BBGE	
O=C1NCCC[C@H]1NNC(=O)C(F)(F)F	1923407763	GLKYPBXUSPNROV-SCSAIBSYSA-N	225.170	-0.552	50	10	BBGE	
COCCONC(=O)NNC(=O)C(F)(F)F	1923412328	NHXCVFARARRPQZ-UHFFFAOYSA-N	245.157	-0.543	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ncccc1B(O)O	1924098625	OARCWUOWHYSLMK-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC(=O)N1C	1926006984	URKXGKAMMGXADG-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
CCc1cnn(CCOCC(=O)NN)c1	1928181673	PMXKLKGDQYHLME-UHFFFAOYSA-N	212.253	-0.548	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](F)C1	1932370909	GOIIQKMWJSETEO-BIIVOSGPSA-N	219.260	-0.719	50	10	BBGE	
C[C@H]1C[C@]1(C)CN(C)CCOCC(=O)NN	1936536647	WWVXTWUPWZWAPB-GXSJLCMTSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)CCCCC(=O)NN	1938357178	LMMNPWKKFWZYIO-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H]1O)C[C@@H]1C[C@@H]1C(=O)NN	1941088462	QRGATOAXNKDDRY-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CC(=NNC(N)=O)[C@H](C)S(C)(=O)=O	1954002051	RQUKNUHJZONTHU-YFKPBYRVSA-N	207.255	-0.536	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNCCO)CO1	1955400559	BRYWCHKMESXJMG-SSDOTTSWSA-N	202.254	-0.585	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC(F)C2)C1	1956902916	DVLXKJUJVDBUBV-ZCFIWIBFSA-N	201.245	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCC(O)CC1	1958632555	CLJOGKBLEHUARQ-AFPNSQJFSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)CCCCN1CC=C[C@@H](O)C1	1960247653	MIVTWXVIJHADEB-SECBINFHSA-N	213.281	-0.621	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1N(C)CC(=O)NN	1960265669	HWESLEXYAFQQGM-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CN(CCn1cncn1)C[C@@H](Cl)C(=O)O	1961253686	XOMLCOXSFFOLAZ-SSDOTTSWSA-N	232.671	-0.098	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CCOC2)C1	1961459786	FFVSQXZEPPVNAF-SNVBAGLBSA-N	213.281	-0.521	50	10	BBGE	
C[C@]1(CCl)CN(Cc2nc(=O)o[nH]2)C1=O	1961718335	NBTQNIWDOZWDOQ-QMMMGPOBSA-N	231.639	-0.050	50	10	BBGE	
CN(Cc1ncon1)CC(C)(C)C(=O)NN	1976754606	APGQDZHLUYBAHU-UHFFFAOYSA-N	227.268	-0.483	50	10	BBGE	
C[C@H]1CC[C@H](Oc2ncc(B(O)O)cn2)C1	1981419823	BFIKHXCFFNCGCN-CBAPKCEASA-N	222.053	-0.276	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)c1ccnn1C	1981560520	PYBWYXPGBRPMAA-SFYZADRCSA-N	225.296	-0.129	50	10	BBGE	
CO[C@H](C)COC[C@H]1CC[C@H](C(=O)NN)O1	1986052183	QOSCUXYTLULAMK-IWSPIJDZSA-N	232.280	-0.425	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)CC1(C)C	1986377880	HJKFOSDLRWKWAU-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@H]21	1988712772	YJYRSTGQRAUFRF-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)C[C@]1(C)O	1989511691	GHNCJWSADKRQDI-YWVKMMECSA-N	229.324	-0.295	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCN2CC[C@H]1C2	1989759620	AVAWTLYREZKKCN-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CC(CO)C1	1990039684	UDMSMOCOTNGLKO-LGUIWLBCSA-N	229.324	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)C1COC1	1990122887	DAIXYBMFHHETKT-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CS[C@H](C)C1	1990746268	VCXXAAHUGCAMLH-APPZFPTMSA-N	245.348	-0.021	50	10	BBGE	
COCC1(C(=O)NCC=CB(O)O)CCC1	1991336662	KJGITEHVJFVTHG-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
COCCN1C[C@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1991436791	BGRSBSPXSGCAMU-MMWGEVLESA-N	248.754	-0.105	50	10	BBGE	
COCCN1C[C@H](O)[C@@H](NC[C@H]2C[C@@H]2Cl)C1	1991436793	BGRSBSPXSGCAMU-RCWTZXSCSA-N	248.754	-0.105	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991713552	UXHSVBVKFZPCQU-TYWZFMJISA-N	244.678	-0.098	50	10	BBGE	
C[C@H](CN1CCCCC12COC2)C(=O)NN	1992018768	SROVZBBTMZDUHR-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C=C(CN(C)C1CCS(=O)(=O)CC1)B(O)O	1992148917	UYLSTUHYJPLPGV-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cc1	1992836916	SHLDCZKBPNNJDD-NSCUHMNNSA-N	219.049	-0.328	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2c2ncon2)CC1	1997764279	HGIMTHGTYOFMGI-ZETCQYMHSA-N	237.263	-0.414	50	10	BBGE	
Cc1ncoc1CN(C)CCOCC(=O)NN	1998709085	BWKRFJPDFPZHEP-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
CC[C@@]1(C)CC(=O)N(CCOCC(=O)NN)C1	2003993538	VRKCDOJMHDBFIU-NSHDSACASA-N	243.307	-0.359	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@H]2CO3)ncc1B(O)O	2004913099	BEPGHLABUPVBAU-DTWKUNHWSA-N	234.064	-0.953	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CC[C@H](C2)O3)nc1	2004916459	LUFQJBLATXROOV-AOOOYVTPSA-N	234.064	-0.871	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@H]32)ncc1B(O)O	2004975477	ZHZNCMHBOIEITN-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
CC1CC(n2cnc3c(B(O)O)ncnc32)C1	2007069809	ISSKFRMRIZQRKL-UHFFFAOYSA-N	232.052	-0.523	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2OCC[C@H]2F)c1	2009181659	KXPGHMINVFIQLQ-MNOVXSKESA-N	240.039	-0.128	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2	2012639084	GMBYIBHJKUZEFZ-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC(O)C[C@@H]2C1	2012899427	FZBZEOHDPBQRJX-AXTSPUMRSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@H]32)o1	2013467440	DJBXZNLRNRAEOD-IONNQARKSA-N	237.259	-0.286	50	10	BBGE	
N#CC1CN(CC(=O)NNc2ccccn2)C1	2019307727	PZNBANOLWNRONO-UHFFFAOYSA-N	231.259	-0.020	50	10	BBGE	
NNC(=O)c1occc1CN1CCOCCO1	2021413260	UCDJKSCDXIGBNB-UHFFFAOYSA-N	241.247	-0.353	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@H](C2)C3)ncc1B(O)O	2021420374	BZLSAZVCLJDOEP-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1ccc(C(=O)NN)o1	2023144074	RVPLXAQFKMFDPR-VIFPVBQESA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)C1(COCC2COCCOC2)CC1	2024299526	KPPGRNFDXDEANQ-UHFFFAOYSA-N	244.291	-0.564	50	10	BBGE	
COc1cc(C)c(Cn2ccc(B(O)O)n2)cn1	2034473686	YLVZUGIFSZMSRM-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
CCOc1cc(OC)c(F)cc1B(O)O	2060116412	BLUKJQXWQAWVGC-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCOc1cc(B(O)O)cc(OC)c1C=O	2060131481	IOACVURXKGJVRU-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)c([N+](=O)[O-])c1	2060209742	OEKFSTACEPMQTN-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
N#Cc1cc(C=O)c(B(O)O)c(C(F)F)c1	2060231729	LRDJBHJZAWGUBO-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CC1(NC(=O)Nc2cc(B(O)O)ccn2)CCC1	2069316557	JNOGYJAULCOCRI-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
CNC(=O)c1c(F)cc(B(O)O)cc1F	2081214963	LXZRGVTWHDNBRP-UHFFFAOYSA-N	214.964	-0.996	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC[C@@H]1CO	2211839491	VKHKSMHQLFUCMP-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CC1(N)CC(Oc2ccc(B(O)O)cn2)C1	2212600086	AEYKRODUMZSZCG-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
CC(C)(CCN)Oc1ccc(B(O)O)cn1	2212600984	GZSPDWRYZYWVLK-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H](C)CO	2212615991	YAUFTQNKMLTURT-YUMQZZPRSA-N	224.069	-0.810	50	10	BBGE	
CC(C)C[C@H](N)CNc1cc(B(O)O)ccn1	2217171560	CCXZITMSEZKYCN-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
CC1([C@H](CO)Nc2cc(B(O)O)ccn2)CC1	2217172242	INADYAUTWLNJPK-VIFPVBQESA-N	236.080	-0.666	50	10	BBGE	
COCC[C@H](C)CNc1cc(B(O)O)ccn1	2217176987	CYKXJNCDLJUFDY-VIFPVBQESA-N	238.096	-0.154	50	10	BBGE	
CC(C)(CO)CCNc1ncccc1B(O)O	2217177047	DWCPFCZHGHUKNF-UHFFFAOYSA-N	238.096	-0.418	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CCN1	2217179922	OWGYEVOXTNPFMB-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC[C@H](O)CN(C)c1nccc(B(O)O)c1F	2217181461	QCZPTSSYVNMNFG-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
CC[C@@H](CN(C)c1cc(B(O)O)ccn1)OC	2217200414	SRSMGYUDHSOUMD-JTQLQIEISA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)[C@@H](C)O1	2217204307	HYTNVMYPTMGEBG-NQMVMOMDSA-N	236.080	-0.261	50	10	BBGE	
CC1(C)[C@@H](Nc2ccc(B(O)O)cn2)C[C@H]1CN	2223640530	LWLBSRLKDOXGPO-WPRPVWTQSA-N	249.123	-0.453	50	10	BBGE	
C[C@@]12CNC[C@]1(COc1ccc(B(O)O)cn1)C2	2223657592	CRQIELBRAQTZNC-NEPJUHHUSA-N	248.091	-0.860	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1nccn1C	2223677199	LEDPEZAAYVTYEE-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
O=C(Nc1nncs1)C1(B(O)O)CC1	2241481723	UZGIPRCLVNOALW-UHFFFAOYSA-N	213.027	-0.516	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N(C)C	2241495833	NGKBOBOSDDMRQH-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccccc1CO	2243357070	QREXHUVHWHIAAY-UHFFFAOYSA-N	219.005	-0.867	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)S1	2243362081	LPVAWAHGMIGBPH-IUCAKERBSA-N	241.121	-0.256	50	10	BBGE	
O=C(C#CB(O)O)NC1CCC(CF)CC1	2243362741	VZLQFSHKAFGRDP-UHFFFAOYSA-N	227.044	-0.354	50	10	BBGE	
CCONC(=O)c1cccc(F)c1B(O)O	2243366632	GEWIKMLUZQDMSR-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
C[C@@H](NC(=O)c1sccc1B(O)O)C(F)F	2243377491	ZWZGUZRYYHYEGU-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)sc1C	2243398138	NDKGQQSEFMFMNI-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
O=C(C#CB(O)O)NCC(C1CC1)C1CC1	2243401053	LLPCVJREJJDHMW-UHFFFAOYSA-N	221.065	-0.446	50	10	BBGE	
CN(CCNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243404523	PPZQJRUBSWIUTM-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNC(=O)C1(B(O)O)CC1	2243411316	RIBILVQFDXZBJS-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCCCNC1CC1)[C@@H]1C[C@@H]1B(O)O	2243419828	HNRXDOTXIDLVRR-BDAKNGLRSA-N	226.085	-0.892	50	10	BBGE	
C=CCCCN(C)S(=O)(=O)CC(=C)B(O)O	2243433740	PNBXAOSQMCYAFY-UHFFFAOYSA-N	247.125	-0.218	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2C[C@H]21	2244205671	MABIDROLZGYZRC-POYBYMJQSA-N	221.021	-0.806	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCCCO1	2247732879	KHFSVGCBIUWHPC-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
O=C(N1C[C@@H]2COC[C@H]2C1)C1(B(O)O)CCC1	2247734059	REMXJHMLPHSZBM-RKDXNWHRSA-N	239.080	-0.512	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N(C1CC1)C1CC1	2247738965	XEKJFBZIMOLKHJ-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1ccc(B(O)O)o1	2247741923	HZHMXLXCLAKYQO-RDDDGLTNSA-N	235.048	-0.368	50	10	BBGE	
CC1(NC(=O)c2cccc(F)c2B(O)O)CC1	2247756001	FLBHJGMJFRMWOL-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1c[nH]nc1B(O)O	2247782887	YNGMLOVVCJGIFP-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
COc1n[nH]c(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247786033	UUXXRGGPBVYMBM-SYDPRGILSA-N	240.028	-0.995	50	10	BBGE	
O=C(N[C@H]1CC12CC(O)C2)[C@H]1C[C@@H](B(O)O)C1	2247786952	IYDZIVUTYHCIKM-FNPGPVBOSA-N	239.080	-0.731	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@](F)(CO)C1	2247797849	NOXWVPOEYBMJTH-MRTMQBJTSA-N	245.059	-0.828	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2247798514	UYOFAGLATLOSGR-AMDVSUOASA-N	241.096	-0.077	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247798557	VLFLVMJKPAOREM-BDAKNGLRSA-N	235.052	-0.702	50	10	BBGE	
Cc1cc(NC(=O)C2CC(B(O)O)C2)n(C)n1	2247800168	LVVIMQPMDUQGCE-UHFFFAOYSA-N	237.068	-0.080	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)C1CC(B(O)O)C1	2247800550	QBFAMSFKKLOKBW-BQKDNTBBSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804129	FIORRPJHHAVOAA-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CCCN(C(=O)C#CB(O)O)[C@@H]1CCO	2247851126	WABJLLMJLVZMNN-VHSXEESVSA-N	239.080	-0.989	50	10	BBGE	
C[C@H](CO)[C@H]1CCCCN1C(=O)C#CB(O)O	2247851247	XGPMMYXVQSFCFF-NXEZZACHSA-N	239.080	-0.989	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)[C@H]1CC[C@H](O)CC1	2247852084	OQMSUTIAPNULMX-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@H]21)C1(B(O)O)CC1	2247878278	IZJKVUDVVYESOG-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H](CO)CC1CC1	2247886373	BCPCITKMHNXCDF-IVZWLZJFSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)[C@@H]1C[C@@H]1B(O)O	2247887139	KSKXUQZHUYHIFT-HOTMZDKISA-N	238.096	-0.752	50	10	BBGE	
COc1n[nH]c(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247895658	UUXXRGGPBVYMBM-URHBZAFASA-N	240.028	-0.995	50	10	BBGE	
CCN1CC(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247897989	ZFWYXKPFVIVAKX-VHSXEESVSA-N	240.112	-0.741	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)co1)C(C)C	2249417201	BYCLIGDCIHUXEQ-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1cc(B(O)O)co1	2249420818	YSUVZASTGWDMMT-CNUIFLNQSA-N	235.048	-0.512	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCn2cncc2C1	2249740270	YWQPNKWSQHMHDD-WCBMZHEXSA-N	235.291	-0.675	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@H]1B(O)O	2253344739	YNWIZQPLFLXNJB-LYFYHCNISA-N	248.038	-0.956	50	10	BBGE	
C=C1CCCN(C(=O)c2ccncc2B(O)O)C1	2255460286	RXBUYLPZDZKXEN-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255463246	GSDHCGJNWKZKOO-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
N#CC1CCN(C(=O)c2occc2B(O)O)CC1	2255483112	ANGHLRXWJHXXOB-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255518846	PLYYLGVGTYOURS-NSHDSACASA-N	246.075	-0.448	50	10	BBGE	
Cn1ccnc1[C@@H](NC(=O)C#CB(O)O)C1CC1	2255671304	PJSZDPWHDJGDST-JTQLQIEISA-N	247.063	-0.997	50	10	BBGE	
Nc1ccc(NC(=O)c2coc(B(O)O)c2)cc1	2255727037	ZVWLLURPLURTTO-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]3C[C@@H]32)c1	2255730967	XOTSHODWXZKNDT-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)c1	2255769697	PVKLXBDIWSUWHO-RKDXNWHRSA-N	248.047	-0.413	50	10	BBGE	
C#CCN(CC)C(=O)Nc1cccc(B(O)O)c1	2255891039	CMTDCTIUBIIAML-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1C=CCC1	2257494605	MHJCEVBICXKBLX-SNVBAGLBSA-N	246.075	-0.482	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2COC[C@H]21	2298165510	GOUHGHLXLDXZFL-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2298376391	UVJYQOAWKJUIKG-FXBDTBDDSA-N	238.096	-0.798	50	10	BBGE	
O=C(N1CCC(O)CC1)N1CC[C@H](B(O)O)C1	2303163595	FMVIXEIIOVNWMF-QMMMGPOBSA-N	242.084	-0.888	50	10	BBGE	
Cc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)o1	2303294912	RRCPYASPPJYHHO-BDAKNGLRSA-N	238.052	-0.196	50	10	BBGE	
N[C@@H]1CCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303847370	ICBKKANTCADXCN-RKDXNWHRSA-N	239.059	-0.808	50	10	BBGE	
CC[C@@](C)(N)COc1cc(B(O)O)c(F)cn1	2303852161	JLXUOQCFLSDJEY-SNVBAGLBSA-N	242.059	-0.593	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303861176	NENPLLGKLMHJOU-MUWHJKNJSA-N	241.027	-0.686	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@H]2CN[C@@H]1C2	2317150186	BQWMNMRRUPVOQG-GGZOMVNGSA-N	243.075	-0.990	50	10	BBGE	
Cn1cnc(S(=O)(=O)NCCCl)c1	52096431	YLABSVNNSQTWKJ-UHFFFAOYSA-N	223.685	-0.063	50	10	BBGE	
CNCCN(C)Cc1ccc(C(=O)NN)cc1	70987710	AIIDUQOWAMOURA-UHFFFAOYSA-N	236.319	-0.059	50	10	BBGE	
CN(CCO)Cc1cccc(C(=O)NN)c1	82468842	SFHMUMVUJGSJOQ-UHFFFAOYSA-N	223.276	-0.286	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)CCl	85087003	BARQVTBMIWYUDH-BYPYZUCNSA-N	204.613	-0.901	50	10	BBGE	
O[C@@H]1[C@H](O)O[C@@H]([C@H](Cl)CCl)[C@@H]1O	108474367	CGPKCWFLSGBABQ-RWOPYEJCSA-N	217.048	-0.728	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](C)CCC(=O)NN	110592587	BADKDKPISUBWQH-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)CC1=O	132545338	SYPADSKOZQSXIO-SSDOTTSWSA-N	201.657	-0.109	50	10	BBGE	
O=C(NCCCl)C(=O)NC[C@H]1CCCO1	170341553	QHNZTPVQIPRSCS-SSDOTTSWSA-N	234.683	-0.363	50	10	BBGE	
NC(=O)N/N=C1/C=CC(C(=O)O)=CC1=O	204139517	HJMAFZARWFKPPW-YHYXMXQVSA-N	209.161	-0.839	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)CCN1C	216743199	NCULLKQDNNDMHM-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C1	226494429	LMZGMBAAXWYYTG-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CC(=O)NC1CCN(C[C@@H](C)C(=O)NN)CC1	228340996	YMDLZLLBKBXBCO-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(F)F	232420777	UHLMNOQETOBWEM-RXMQYKEDSA-N	211.212	-0.812	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1ccn(C)n1	234551075	GXHDWXBBWDQOQO-LURJTMIESA-N	245.666	-0.070	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2COC[C@@H]2Cl)n1	306221100	VOTQKIJHACUMIJ-FSPLSTOPSA-N	230.655	-0.449	50	10	BBGE	
O=C1CN(C(=O)CCl)[C@H]2CCN1C2	307001059	HQGBYMGUNXNQPA-LURJTMIESA-N	202.641	-0.332	50	10	BBGE	
CC(C)(Nc1nc(N)nc(CCl)n1)C(N)=O	309430900	MKXSEOJRBMIJJL-UHFFFAOYSA-N	244.686	-0.132	50	10	BBGE	
CC[C@@H](On1nnc2ccccc21)C(=O)NN	310398505	TYIWEPYQIBGZMF-SECBINFHSA-N	235.247	-0.372	50	10	BBGE	
COC(=O)/C(C#N)=C1\C=C(N)NC(C)=N1	384187799	MEXZBWIYFUIGDM-VOTSOKGWSA-N	206.205	-0.241	50	10	BBGE	
COC(=O)NN=C(C)[C@@H]1SC(=N)NC1=O	389584621	IWJLRFMETPRZDN-BYPYZUCNSA-N	230.249	-0.115	50	10	BBGE	
CCC(=O)c1c(C#N)cccc1B(O)O	396088433	CZQXHSLILUNQNQ-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
Nc1cc(B(O)O)c2cc(CO)sc2c1	396243105	KXPOHUBJUFUHLC-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc(CO)c(B(O)O)c2ccsc12	396257327	XQZYCTPREUYRDQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC2(CN(C)C2)C1	398723281	HANXIXLFCAYMRE-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C(=O)NN	398735535	DJHBDUMWWXOYTH-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
COC(C)(C)C(=O)Nc1ccnc(B(O)O)c1	405019155	VUFZBAVWAKZACY-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
CN1C(=O)CN(CCCCC(=O)NN)C1=O	688948901	ONVWJUZMKBELHU-UHFFFAOYSA-N	228.252	-0.959	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](COC)OC	691288294	UOJJWXPZLGFMDB-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
C[C@@]1(CO)C[C@H](O)CN1C(=O)CCl	698217001	VOUSBMNXZSDIHL-XPUUQOCRSA-N	207.657	-0.431	50	10	BBGE	
COCCN(CCF)[C@@H](C(=O)NN)C(C)C	700385731	URCWNAPRIQJMHN-SECBINFHSA-N	235.303	-0.081	50	10	BBGE	
CN1C[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1=O	703436566	UJDWGSYSPPYWCF-CSMHCCOUSA-N	238.243	-0.867	50	10	BBGE	
COc1cc(C(=O)NNC(N)=S)on1	704801287	UTMJCERFWKWNFL-UHFFFAOYSA-N	216.222	-0.839	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOCC12CCC2	707227948	PLIIPZITUBLFPV-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NCB(O)O)C1	717022249	DKLCPDYDACCOCG-ZETCQYMHSA-N	215.058	-0.680	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H](O)[C@H](C)O	717357797	XFWFBJQMPUYEMQ-VQVTYTSYSA-N	209.673	-0.281	50	10	BBGE	
N#Cc1cnnc(N2CC[C@H](B(O)O)C2)c1	1120101581	GYXFICVKHPOLNY-QMMMGPOBSA-N	218.025	-0.599	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)NCc1ccco1	1136414163	WHZOZKQNEVLWMI-QMMMGPOBSA-N	239.231	-0.343	50	10	BBGE	
Cn1nnc(C(=O)NNc2cccc(C#N)c2)n1	1584043682	SEWYJNLPXLZXPJ-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1ncc[nH]1	1597964763	ACBSHMUXZGUVDD-UHFFFAOYSA-N	225.252	-0.355	50	10	BBGE	
CC(C)(C)NCC(=O)NNC(=O)c1ncon1	1648112415	QYLWALRCBDXCHD-UHFFFAOYSA-N	241.251	-0.781	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1Br	1877346644	AEKZXLOSUJSIFO-YTLHQDLWSA-N	249.108	-0.388	50	10	BBGE	
O=C(O)CN(CCO)C[C@@H]1C[C@H]1Cl	1883550353	DZNAAWHHUKHIJO-NKWVEPMBSA-N	207.657	-0.007	50	10	BBGE	
N#CCNC(=O)CNC[C@H]1C[C@@H]1Cl	1883551969	LJNPNWSXGAVYRQ-RQJHMYQMSA-N	201.657	-0.157	50	10	BBGE	
CSCC1(C)CN(C(=O)C(=O)NN)C1	1886006751	BWLIGFARCLRQOH-UHFFFAOYSA-N	217.294	-0.812	50	10	BBGE	
O=S(=O)(CCOCCCl)NC1COC1	1889158674	IBZOAODTESUCEK-UHFFFAOYSA-N	243.712	-0.440	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1890503082	HGNQWGIQYJOXDG-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
N[C@H](CS(=O)(=O)C[C@@H]1C[C@@H]1Cl)C(=O)O	1893120770	YKHXZPVOBYEBHX-HCWXCVPCSA-N	241.696	-0.560	50	10	BBGE	
C[C@H](O)CNCCNC(=O)[C@H]1C[C@H]1Cl	1893453921	RRDWDQSHTPNGKD-BIIVOSGPSA-N	220.700	-0.300	50	10	BBGE	
O=C(O)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1893454367	WIEACHMBIILKGV-KVQBGUIXSA-N	221.640	-0.435	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)[C@H]1C[C@@H]1Cl	1893475685	WVZRNMBIJVYKIX-WHFBIAKZSA-N	215.644	-0.215	50	10	BBGE	
CS[C@H]1CC[C@H]1N(C)C(=O)C(=O)NN	1893803785	JLHJDYMAFXDFOB-RITPCOANSA-N	217.294	-0.671	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CC[C@@H]21	1895125992	MSWHOHBATCVIOU-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
COCCOC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896930918	YDCCYFDOPFKPPT-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
C#CC[C@@H](N)C(=O)NN(C)S(=O)(=O)C(C)C	1901377282	MEZQTIXIKUFVPO-MRVPVSSYSA-N	247.320	-0.962	50	10	BBGE	
C[C@@H]1CC[C@](N)(C(=O)NN(C)S(C)(=O)=O)C1	1901377939	UYJRFBITPLCPBN-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C[C@@]1(F)CCN(Cc2nc(B(O)O)cs2)C1	1902640165	AEBJXXLMHOMSHO-SECBINFHSA-N	244.100	-0.243	50	10	BBGE	
C[C@@H](O)CN(C1CCCC1)[C@H](C)C(=O)NN	1902650330	VSEFKBDOZXKPNJ-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C1(C)CC1	1903006681	WVADSVJCQWURRV-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@@]12COC[C@@H]1C2	1906058677	GVIGKNGJQDZSHO-GMOBBJLQSA-N	239.319	-0.419	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@@H]1C[C@@H]1F	1908966101	UJJWIGWPRVKCMS-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1[C@H]2NCCO[C@@H]21	1909272009	FWAUHRQZMVKOSZ-CDBVJKSLSA-N	230.695	-0.141	50	10	BBGE	
C=CCNC(=O)Nc1ncccc1B(O)O	1913668956	NUZVOQKBVZSRTK-UHFFFAOYSA-N	221.025	-0.931	50	10	BBGE	
CN(CCCC(=O)NN)S(=O)(=O)C1CC1	1913793528	GJEHZNSDSUHHCQ-UHFFFAOYSA-N	235.309	-0.820	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC2(COC2)C1	1915568301	NQFQJEVTTHORMF-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)C(F)(F)F	1923408175	XBGCAOWAHOTUSY-UHFFFAOYSA-N	236.153	-0.338	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1cccc(B(O)O)n1	1924099748	SVWUEUPRSHPSPB-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H]1CO	1927812583	MYKAJCMWQIFDLZ-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C[C@@H](O)C[C@H]2C1	1927859105	AHSCPHSTFDZGKE-VGMNWLOBSA-N	232.711	-0.109	50	10	BBGE	
O=C(CBr)NCCn1cnnn1	1928858104	UURDYAFRUPPGPJ-UHFFFAOYSA-N	234.057	-0.816	50	10	BBGE	
OC[C@@H]1C[C@@H]2OCC[C@H]2N1C[C@H](O)CCl	1928936945	LNEVDZWIHYKFSH-JLIMGVALSA-N	235.711	-0.190	50	10	BBGE	
OCC[C@@H]1CN(C[C@H](O)CCl)C[C@H]1CO	1930350705	AFTAJIADGBAWSB-KXUCPTDWSA-N	237.727	-0.491	50	10	BBGE	
C[C@H]1CCO[C@H]1COCCC(=O)NN	1932229155	MHIIOSIQRMESIH-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
CC[C@@H]1COCCN([C@H](C)C(=O)NN)C1	1933533826	UAKHEOVGYFSXOD-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1936078543	BHIAOHDJCVOROS-DOLQZWNJSA-N	227.308	-0.827	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1	1936086262	XWJCEIDJPIOBFH-RKDXNWHRSA-N	221.260	-0.217	50	10	BBGE	
CN(Cc1cnns1)C[C@@H]1C[C@H]1C(=O)NN	1936094627	OSPCSLZXLDWWCO-POYBYMJQSA-N	241.320	-0.404	50	10	BBGE	
CCN(Cc1cc(B(O)O)ccc1OC)OC	1942619699	NDFRGBIRZQZWIQ-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)[C@H](C2CC2)C1	1943083819	RECWKCKYQLZCNM-DEKFOEGESA-N	241.335	-0.296	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1CCOCC(=O)NN	1944569756	NIPROKOAHVCQQO-UTLUCORTSA-N	245.323	-0.916	50	10	BBGE	
CO[C@H]1CN(CC(F)(F)C(=O)NN)CC12CC2	1944717870	KZWWGTASDHLSLT-ZETCQYMHSA-N	249.261	-0.278	50	10	BBGE	
CCCn1nccc1Cn1ccc(B(O)O)n1	1945467707	COASEMCDJPAYRA-UHFFFAOYSA-N	234.068	-0.782	50	10	BBGE	
NNC(=O)C1(CN2CC(n3cccn3)C2)CC1	1945881994	AAIBRDIRHRQOJY-UHFFFAOYSA-N	235.291	-0.490	50	10	BBGE	
CS(=O)(=O)CC1(C[C@@H](N)[C@H](O)C#N)CC1	1952835979	HAFAIGJKZVFEHM-HTQZYQBOSA-N	232.305	-0.587	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)CCCCl	1954185970	MTGVBYWFVIVERG-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
CS(=O)(=O)N1C[C@H](Cl)[C@@H]2COC[C@@H]21	1954368867	RGIQIKZYHOUMDN-ACZMJKKPSA-N	225.697	-0.116	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](C)[C@@H](O)CO	1954512719	KBFMBGQKGQFNIG-VQVTYTSYSA-N	209.673	-0.138	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC(F)C2)C1	1956902915	DVLXKJUJVDBUBV-LURJTMIESA-N	201.245	-0.201	50	10	BBGE	
O=C(CCl)NC(=O)NC1[C@H]2COC[C@H]12	1957279169	BNWGBFKZXQMOSO-WHFBIAKZSA-N	218.640	-0.304	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1[C@@H]2CS(=O)(=O)C[C@@H]12	1957281399	QXCBSPOLVPASOG-HSUXUTPPSA-N	237.708	-0.227	50	10	BBGE	
NNC(=O)CCCSc1ncncc1N	1957979045	KQENABOHAZZCFL-UHFFFAOYSA-N	227.293	-0.079	50	10	BBGE	
Cc1nccn1-c1ncccc1B(O)O	1961710967	ZGZCNIAMSHFAMH-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CO[C@@H](C)CN(C)c1nc(B(O)O)cs1	1961717797	GGCCWIPAZUJAAX-LURJTMIESA-N	230.098	-0.706	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1961774017	MKIJNMCUYVBNPJ-NTINHHGHSA-N	213.281	-0.933	50	10	BBGE	
CSCC(=O)N1CC[C@@H](B(O)O)C1	1964510547	MSDRGMAGJKEQHM-ZCFIWIBFSA-N	203.072	-0.575	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cncnc1	1975162780	MWZDTLNBIPZGLZ-SSDOTTSWSA-N	209.253	-0.713	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COCCC1(F)F	1979482709	PRYSDAVGVJWISJ-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@H]3CC[C@H]2O3)c1	1980055294	DYINAVMAPYNDLF-SZEHBUNVSA-N	222.053	-0.870	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCN1CCCCC1	1980757156	RCXFFIFFVXXLHI-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNCCO)[C@@H]1C(=O)O	1980927826	AHLVWVWIOFTRIG-RNFRBKRXSA-N	230.264	-0.654	50	10	BBGE	
CCCCCN(C)c1ncncc1B(O)O	1981414245	PMCXDXDVTPIHMS-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
COC[C@H](C)CN(C)c1nc(B(O)O)cs1	1981472034	MYFVOJLODQBISA-SSDOTTSWSA-N	244.125	-0.458	50	10	BBGE	
C#C[C@@H](CCl)N=c1nc(OC)[nH]c(OC)n1	1983015474	IXRUKQFKOXFSBS-LURJTMIESA-N	242.666	-0.037	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](F)[C@H](O)C1	1984121987	MVAQMIHFCYDMLX-NTSWFWBYSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC[C@H]3O)C2)CC1	1984541643	CRGLRWZJZDNPLH-MRVPVSSYSA-N	225.292	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1[C@@H](C)O	1990040624	GQRDQDNKWMRBEL-SGIHWFKDSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(CF)CC1	1990774126	FDQDBZMAILWJQH-UHFFFAOYSA-N	231.271	-0.165	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOC[C@@H]1CCO	1991650583	NXADXELCPUSERG-QMMMGPOBSA-N	247.678	-0.082	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)[C@H](CO)C1	1991651691	VJRDIPIXPPWELJ-QMMMGPOBSA-N	246.694	-0.557	50	10	BBGE	
C[C@]1(CO)COCCN1C(=O)C=CC(=O)Cl	1991652664	PUFBCPMMTSASGX-JTQLQIEISA-N	247.678	-0.082	50	10	BBGE	
NC(=O)CN(CC(=O)O)C(=O)C1CC(Cl)C1	1991693665	LQRVUVUIMJUGOW-UHFFFAOYSA-N	248.666	-0.598	50	10	BBGE	
COCCSCC12CC(C(=O)NN)(CO1)C2	1993889817	VHOXCIUZFPUULJ-UHFFFAOYSA-N	246.332	-0.095	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1ncccc1B(O)O	2004931092	ZFTZJWSDNJMWQK-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
CCOCC1CN(c2ncccc2B(O)O)C1	2004935189	LHLGIJFMOQTQGI-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
CC1(C)[C@@H]2[C@H](CCN2CCCC(=O)NN)[C@H]1O	2008730117	IBBQLSUGJSLDBT-INTQDDNPSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@]2(CO)C1	2008882959	JCOGNDUFUHFGHP-VXNVDRBHSA-N	249.261	-0.684	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CO)CCC1CC2	2009105890	WPDFSERBWZDGGB-YZRBJQDESA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)c1cn(CCO[C@@H]2CC2(F)F)nn1	2011547724	ONXBVLBVSXNRJN-ZCFIWIBFSA-N	247.205	-0.694	50	10	BBGE	
C[C@@H](COCCCC(=O)NN)N1CCOCC1	2013802097	MTFICPXTQFXYRY-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1ccc(OCC2[C@@H]3COC[C@@H]23)cc1	2015137704	PMSGFNFOJRRHKL-GHMZBOCLSA-N	234.060	-0.362	50	10	BBGE	
C=C(CN1C[C@@H](OCC)C[C@@H](OC)C1)B(O)O	2021164582	JJMRZCNWSYWISS-MNOVXSKESA-N	243.112	-0.320	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccccc1B(O)O	2022199479	FNQVUVQSLRSBLH-SNVBAGLBSA-N	231.060	-0.351	50	10	BBGE	
Cc1ncnc(O[C@@H]2CC[C@@H]3C[C@H]32)c1B(O)O	2026073248	ZPFZVHRBBHIHPI-IWSPIJDZSA-N	234.064	-0.358	50	10	BBGE	
CN1CCC[C@@H](N(C)c2ccc(B(O)O)cn2)C1	2052472372	LBZSZOMJENHBRQ-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1B(O)O	2052555185	DNPZGJOILIBNTQ-CDLYGTGVSA-N	245.091	-0.691	50	10	BBGE	
CN(Cc1cncnc1)c1ccncc1B(O)O	2058463878	LFUFWUFIBKCJCF-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
CCc1ccc(F)c([N+](=O)[O-])c1B(O)O	2060080003	PSUHCOWXKXIKNP-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
COc1cc(B(O)O)cc(F)c1[N+](=O)[O-]	2060091465	AVFRNOWPLHKVLZ-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCOc1cc(C)cc(C=O)c1B(O)O	2060145250	ADCASAOXCCHIOJ-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
Cc1nc(NC(=O)[C@@]2(C)C[C@H]2C)ncc1B(O)O	2069485113	RKVKKVPIBFVKHP-KBUNVGBDSA-N	249.079	-0.551	50	10	BBGE	
OB(O)c1cnccc1N(CC1CC1)C1COC1	2073409276	JBSOYRXERSEXAC-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H]2COC[C@H]21	2077841934	GDNVSMRQRJDEDX-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1ncccc1B(O)O	2086423857	HCQGIGPJPVCKKT-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
OCC(CO)NC[C@H]1C[C@@H]1Br	2208434123	CMBJIUOOHOUCTO-VDTYLAMSSA-N	224.098	-0.287	50	10	BBGE	
CN(C[C@H](O)c1cccc(O)c1)C(=O)NN	2210632923	MRHHELZCIJDTJN-VIFPVBQESA-N	225.248	-0.059	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210699204	FQJOIMNHYKJMRH-RYPBNFRJSA-N	233.287	-0.594	50	10	BBGE	
OB(O)c1csc(CN2CCO[C@@H]3C[C@H]32)c1	2211082117	ZULNSGHNHHSMDZ-NXEZZACHSA-N	239.105	-0.599	50	10	BBGE	
O=c1sccn1Cc1cccc(B(O)O)c1	2211134695	PFOZZWLDUMOKSA-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1	2211734584	RBMYURFOTQZUSG-XXFSISAASA-N	249.738	-0.350	50	10	BBGE	
CN(C)CCN(C)CC1(C(=O)NN)CCC1	2212261521	IPCMYBIQPJUSHC-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
Cc1cnc(Sc2cc(B(O)O)ccn2)[nH]1	2212599684	MLGQDYQATXKPEG-UHFFFAOYSA-N	235.077	-0.056	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1ccc(B(O)O)cn1	2212612215	IGZWKPDEAATNML-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@H]2O)c1	2212615318	NEHNHYVAHYYFGC-DTWKUNHWSA-N	222.053	-0.913	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)[C@@H](CO)C2)CCC1	2216493931	OWAUITKSFMSCJQ-RKDXNWHRSA-N	245.298	-0.591	50	10	BBGE	
CN1CC2(CCN2C[C@H]2CC[C@@H]2C(=O)NN)C1	2216595414	PQUXLSJPIOWVCD-ZJUUUORDSA-N	238.335	-0.608	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@@H](O)C2)cc1B(O)O	2217180498	HZPPIDNLBNJYRM-DTORHVGOSA-N	236.080	-0.971	50	10	BBGE	
C#CC1CCN(c2ccc(B(O)O)cn2)CC1	2217183277	GVCJTRAGHHLVCG-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCCN1	2217191546	KMIUMKUNCQWFQN-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNc1cc(B(O)O)ccn1	2217197769	QOVPMVNUEMWJEZ-DTWKUNHWSA-N	235.096	-0.971	50	10	BBGE	
OB(O)c1ccnc(NCC2CCOCC2)c1	2217203904	BTYHPMMNZFGPPU-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC12CCCC2)C(=O)NN	2217482361	GFKALUSNRZOCTR-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H](O)C23CCC3)c1	2220070762	ILVSCGUIAFUULA-GFCCVEGCSA-N	247.103	-0.534	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2cccnc2)c1	2223646029	FJIBNMUTMKDZIO-UHFFFAOYSA-N	243.075	-0.767	50	10	BBGE	
Cc1cnc(N2C[C@H](CN)C[C@@H]2C)cc1B(O)O	2223647960	FYLDUYHFLWJOIE-UWVGGRQHSA-N	249.123	-0.757	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](Nc1ncccc1B(O)O)C2	2223674257	OOFYXYBVDRHQFZ-CKYFFXLPSA-N	248.091	-0.259	50	10	BBGE	
N#C[C@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2223678041	WLPPOKOZTWDPFB-JTQLQIEISA-N	245.091	-0.109	50	10	BBGE	
CCn1c(O)cc(=O)n(CCCl)c1=O	2241394308	CEUNPOWASGQOJW-UHFFFAOYSA-N	218.640	-0.026	50	10	BBGE	
CSCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241481744	YIMGNPYQXDERAM-WDSKDSINSA-N	203.072	-0.672	50	10	BBGE	
O=C(CCCl)N1CC[C@@H]1[C@H](O)CO	2241827000	YXPJTUOEPPVDOM-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]1Cl	2241907644	GNEMVCIQRLAUQM-RQJHMYQMSA-N	215.445	-0.865	50	10	BBGE	
COCC1(NC(=O)C2(B(O)O)CCC2)CC1	2243346607	BIYRZVTUZATECC-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
CC(C)N(CCO)C(=O)C1(B(O)O)CCC1	2243348500	YKADQAGAAXEOTA-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)s1	2243349440	LJNSEYUUSQTCNH-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C=CCCN(C)C(=O)c1ccoc1B(O)O	2243350326	ZGYSPMDBOSMWEH-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)[C@H](C)CO1	2243357130	RPNFQIZTDVLQLX-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2243362654	UNRPBGPEHKHHSU-QMMMGPOBSA-N	222.053	-0.681	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1csc(B(O)O)c1	2243362956	ZALKWWHPKCBNSV-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
CC1(NC(=O)c2cncc(B(O)O)c2)CC1	2243376991	SHQLMZBQPKBNCF-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
O=C(C#CB(O)O)NCC1C2(CC2)C12CC2	2243399061	JRJLWGVITXYHCZ-UHFFFAOYSA-N	219.049	-0.692	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC12CCCC2	2243399555	NMTBGEVBJSZHPM-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)C2(B(O)O)CC2)C1	2243410814	IGSXZGGOYNQRJU-VIFPVBQESA-N	222.053	-0.244	50	10	BBGE	
Cn1ccnc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415168	POZVWERKQYQZDL-KNVOCYPGSA-N	223.041	-0.388	50	10	BBGE	
CC(=O)NC(=O)c1sc(C)c(C)c1B(O)O	2243426761	LPJNDMOBMDCNAN-UHFFFAOYSA-N	241.077	-0.679	50	10	BBGE	
C=CCCS(=O)(=O)N1CCC(B(O)O)CC1	2244180035	JJBBTJBPHRAVDB-UHFFFAOYSA-N	247.125	-0.169	50	10	BBGE	
O=C1CN(CCN2CC[C@H]3C[C@@H]32)CC(=O)O1	2245440178	HLXWZUOXUNAFJW-IUCAKERBSA-N	224.260	-0.534	50	10	BBGE	
Cc1ccc(CO)cc1NC(=O)C(=O)NN	2246244151	ZJDUIRRUZXDKHW-UHFFFAOYSA-N	223.232	-0.584	50	10	BBGE	
C[C@H](COC(F)F)Oc1ncncc1B(O)O	2246667063	JYFIQJCEFIBCDX-RXMQYKEDSA-N	247.994	-0.837	50	10	BBGE	
CN(C(=O)Nc1cc(B(O)O)ccn1)C1CC1	2247217899	RKZIBDUJLDQCNT-UHFFFAOYSA-N	235.052	-0.613	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)oc1C	2247739190	YTHHMRXLMQECTG-APPZFPTMSA-N	237.064	-0.204	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2247747240	KTQVNHFUBNYIDE-APPZFPTMSA-N	236.080	-0.387	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1occc1B(O)O	2247751056	RZTNXQCHQDMJIX-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
CON1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247755390	JPAITJYRFUOQMY-QMMMGPOBSA-N	242.084	-0.865	50	10	BBGE	
CC1(C)[C@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247757567	WMJGVUZVHLDTAR-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1occc1B(O)O	2247758708	WDXMATJJWCWAMM-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCCCC1	2247769160	FJQSQNNVNYRJOC-UHFFFAOYSA-N	234.064	-0.613	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@H]1O	2247791820	OYXGRZVBWMLLMS-LOLPMWEVSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247798423	TZGJDAFOFNSASW-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)C(=O)[C@H]1C[C@@H]1B(O)O	2247807372	HSSOIAHJWABBDT-FTYOSLGDSA-N	239.080	-0.656	50	10	BBGE	
CC1(C)CCN[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247807401	HWNDKKLBZIIKTO-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)C2(CC2)C1	2247809111	NYMGIHRMGXFBMT-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
CC(C)n1ccc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247809784	RIDDKZWXQLICMO-SFYZADRCSA-N	237.068	-0.313	50	10	BBGE	
O=C(C#CB(O)O)NN(C1CCC1)C1CCC1	2247846972	PKTJWSCIBCPNPH-UHFFFAOYSA-N	236.080	-0.560	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1cc(B(O)O)c[nH]1	2247848862	RHNWRYJMYMMHLJ-UHFFFAOYSA-N	244.006	-0.778	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C#CB(O)O)CCO1	2247849774	FAWDKRRXKROVQI-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
O=C(C#CB(O)O)N(CC(F)(F)F)C1CCC1	2247850596	QHPMMAIRTYGEDR-UHFFFAOYSA-N	248.997	-0.055	50	10	BBGE	
CC1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247855278	PNHJKIJDRDQVCY-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ncccc1B(O)O	2247869854	ZKUBSPSZORYEEH-QMMMGPOBSA-N	232.048	-0.933	50	10	BBGE	
CCN(C(=O)c1ccncc1B(O)O)C1CC1	2247874759	TWSTVRVQRZGXHT-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247886076	WWOCFYIHBKXRNW-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1COCC1(F)F	2247886998	JBEAVXCIWBVMKV-QYNIQEEDSA-N	249.022	-0.658	50	10	BBGE	
CC1(C)NCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247900517	XOMZMZNVYTYPHZ-VGMNWLOBSA-N	240.112	-0.504	50	10	BBGE	
Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2247900658	YSCUETMIPAANRC-ZJUUUORDSA-N	234.064	-0.252	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCN[C@@H]2CC[C@H]21	2247902421	FAZIIRFDOHUQGZ-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC(C)(C)[C@H]1CO	2247967831	MRSDIZYLOOFMNJ-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CCCOC(=O)Nc1ncc(B(O)O)cc1F	2248217507	DTNCVOFBLUCIBD-UHFFFAOYSA-N	242.015	-0.141	50	10	BBGE	
CN(C[C@@H]1COC2(CCC2)C1)C(=O)C(=O)NN	2248757029	SNKHWUXTTUZIIQ-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
CN(Cc1occc1C(=O)NN)CC1COC1	2249013792	LYDAQKYDYNBGAM-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
C=C[C@H]1COCCN1c1cc(B(O)O)ccn1	2249039581	SIIGATXPULXRJU-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2255452172	FABCFPUYZCCHIV-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2255509002	FVMSFWYGXCWSNV-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1ccc(B(O)O)cn1	2255515883	DDXRQGJIMOJZSR-UFBFGSQYSA-N	246.075	-0.566	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1ncccc1B(O)O	2255714143	MPXVQSSUOKLEOM-UFBFGSQYSA-N	248.091	-0.463	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1nc(C)ccc1B(O)O	2255728372	FMXQOOSGMDGVPL-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256016063	BYJLUXLKGSPEGY-JGVFFNPUSA-N	249.075	-0.542	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	2297943271	CNIOUBVVCWMWHO-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C[C@@H]1C[C@@H]1C(=O)NN	2298004445	GAWFNHVCGMKDLJ-YOQJGNTNSA-N	239.319	-0.542	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2COCC[C@H]21	2298369633	AEEXXYKWBBKPQI-UTINFBMNSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2C[C@]1(CO)C2	2299819528	YMGNQCBFQHGJSA-CDLYGTGVSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2cccnc2C1	2300115062	KFDMKCDXMJZSDT-BDAKNGLRSA-N	232.048	-0.213	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1Cc2cccnc2C1	2300115065	KFDMKCDXMJZSDT-RKDXNWHRSA-N	232.048	-0.213	50	10	BBGE	
CC(C)(N)COc1ccc(C=O)c(B(O)O)c1	2301421989	CDCRWKZGNPRPID-UHFFFAOYSA-N	237.064	-0.705	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2301431005	MIBDPHTYRRPVGH-RKDXNWHRSA-N	240.282	-0.060	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303834603	IWIRRYGCUXOHPJ-BQBZGAKWSA-N	242.059	-0.528	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2312848870	VWZKEINEEBXHEI-MRTMQBJTSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CNC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317350015	MIGFIGMQOBJRRA-UFBFGSQYSA-N	249.075	-0.834	50	10	BBGE	
O=Cc1ccc(NCc2ncc[nH]2)cc1B(O)O	2317350030	MMDZHGUJSVIWFV-UHFFFAOYSA-N	245.047	-0.486	50	10	BBGE	
C=CC[C@H]1COC[C@H]1Nc1ncc(B(O)O)cn1	2321007800	DOXOIBRWHLAVNW-WCBMZHEXSA-N	249.079	-0.841	50	10	BBGE	
O=C(OC[C@H](O)CO)C(Cl)Cl	5131946	CVGDIEOKTJTGQW-GSVOUGTGSA-N	203.021	-0.314	50	10	BBGE	
O[C@H]1[C@H](O)C=C[C@@H](Br)[C@@H]1O	38337271	SUCAFEYLYXXTPF-ZXXMMSQZSA-N	209.039	-0.598	50	10	BBGE	
CCN(CC(=O)NC)C(=O)NC(=O)CCl	42517088	HIRSVQCZITYLNI-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
NNC(=O)c1cn(-c2ccc(Cl)nn2)cn1	73665982	DLBLSGXOQJMDJN-UHFFFAOYSA-N	238.638	-0.081	50	10	BBGE	
CCCN1CCN(CCC(=O)NN)CC1	82465978	RRPGVQNGOTUMEK-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
C[C@@H]1CC(=O)N(CCCC(=O)NN)C1=O	82471605	VCUVUWNSZISJQF-ZCFIWIBFSA-N	213.237	-0.849	50	10	BBGE	
CCn1c(S[C@@H](C)C(=O)NN)n[nH]c1=O	82472673	LSLBBPFCWNAGFE-BYPYZUCNSA-N	231.281	-0.938	50	10	BBGE	
NNC(=O)c1csc(CN2CCOCC2)n1	82688111	JVJMQFPGQNBZRG-UHFFFAOYSA-N	242.304	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CC#N)CC#N	86313322	QNOOHLRADSCPOV-JGVFFNPUSA-N	209.253	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(N)CC1	86313656	QPHDYJLDTQGSHW-YUMQZZPRSA-N	214.313	-0.576	50	10	BBGE	
C[C@@H](C#N)CN(C)Cc1cc(C(=O)NN)no1	110586977	MYBLPCXEOJILOA-ZETCQYMHSA-N	237.263	-0.130	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(=O)N1CCCC1	110587000	FQJOOZHCDRKZQA-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@H](CO)O1	164361382	XGTATTVTYXJYNU-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CCc1ccc(C(=O)NNC(=O)CO)c(C)n1	184662935	HATNQXDSUWMDDG-UHFFFAOYSA-N	237.259	-0.294	50	10	BBGE	
COC[C@@H](C)N(C)Cc1ccc(B(O)O)cc1	199002884	HEJJGALFRZIYDP-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
O=C(O)/C=C\C(=O)OC(=O)/C=C/C(=O)O	199706627	PQTMBYUVHBQQJH-HSFFGMMNSA-N	214.129	-0.662	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)CCCO1	203131472	VEDUAJRPOQJNMR-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
O=C1NC(=O)[C@H](CCl)[C@H](C(=O)O)N1	211556298	WOCHDYNCASINRC-PWNYCUMCSA-N	206.585	-0.866	50	10	BBGE	
COC(=O)N1CCC[C@@H]1CC(=O)NN	214297148	IDLUYSKIZAISDV-ZCFIWIBFSA-N	201.226	-0.403	50	10	BBGE	
COC(=O)N1CCCC[C@H](C(=O)NN)C1	215366210	WFDRKBHKVSHHBN-ZETCQYMHSA-N	215.253	-0.155	50	10	BBGE	
COC[C@@H](Cl)CN(C)Cc1nnn(C)n1	234685297	ZQAFERAMJQGONP-ZETCQYMHSA-N	233.703	-0.104	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@H](N(C)C)C1	251867569	SZWZZVNPTNHHQB-GARJFASQSA-N	242.367	-0.117	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	300986586	VDMMOCBLKCECQJ-RZOIJWCNSA-N	225.292	-0.934	50	10	BBGE	
CC[S@](=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	307292507	BPGRWOMVSWLPBS-JPOPXJHUSA-N	245.753	-0.336	50	10	BBGE	
N[C@@H]1NC(=O)[C@H](Br)[C@H](Cl)N1	307748057	APOPCFIZOPSVSB-ICJMABJWSA-N	228.477	-0.724	50	10	BBGE	
C[C@@H]1CNC[C@H]1C(=O)NNC(=O)C1CC1	378662383	AMUXMTKKZUUIJV-HTRCEHHLSA-N	211.265	-0.601	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(OC)C1	379849405	AGMHGEMPWLZCOF-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CC(=O)NNC(C)=O	385900530	OUOVJLNTFZBJAH-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CN(C)CC1CN(C(=O)NC(=O)CCl)C1	394680407	XOYKXDBAEWYMLR-UHFFFAOYSA-N	233.699	-0.045	50	10	BBGE	
Nc1ccc2c(C(=O)O)csc2c1B(O)O	396245163	QNBGFPVAKKHPLP-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]([C@@H]1CC1(C)C)N(C)C(=O)C(=O)NN	397649133	SYOIBESSLWQVGJ-BQBZGAKWSA-N	213.281	-0.131	50	10	BBGE	
Cc1ccc(B(O)O)c(N[S@](C)=O)c1	404990081	VEBJFGUXRXHSOP-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
Cc1ccc(C(=O)Nc2cccc(B(O)O)n2)o1	405026963	KAPRVZKITNZCRK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1B(O)O	405053352	JRJAHOSFOJTKFF-ONGXEEELSA-N	247.103	-0.019	50	10	BBGE	
CNC(=O)N(C)Cc1cc(B(O)O)cs1	405151532	RYTWPTRGYMTIGK-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCN1C(=O)CCC1=O	405402963	XRNXQMVCNTWODC-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
NC(=O)NN=C1/C(=N\O)CCC/C1=N\O	585669182	BKGWSYQGSKMFCO-GCPDZHSGSA-N	213.197	-0.145	50	10	BBGE	
CC(C)(CN1CCCOCC1=O)C(=O)NN	688114224	FPDWEGQRCXGKNV-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CCOCC(=O)Nc1cccc(B(O)O)c1F	690117165	NTDXCYIPJMDZEX-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
NC(=O)C[C@H]1CCN(C(=O)CCl)C1	690795020	KGUYWHLRAFFZRL-ZCFIWIBFSA-N	204.657	-0.051	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC2(CC2)C1	696228479	MGIQELZCXJEGIU-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccsn1	705769812	UTDLUGNMQWGQTH-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)c1nnn(C)n1	717382685	CHPRPDOKOCPMBY-ZCFIWIBFSA-N	246.702	-0.891	50	10	BBGE	
C[C@H](O)C1CN(CCCC(=O)NN)C1	719808683	WGPJNFKLJUCYPN-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
Cc1cn(C)nc1CN(C)[C@H](C)C(=O)NN	723524175	NWXROCQTOIOZGM-MRVPVSSYSA-N	225.296	-0.461	50	10	BBGE	
CS[C@@H]1CCC1=NNC(=O)C(N)=O	819801290	HHKDOWQJMLBNDU-RXMQYKEDSA-N	201.251	-0.531	50	10	BBGE	
CC(=O)NNC(=O)Cc1cnn2c1CCCC2	864426841	ASNAASBEEXXYSZ-UHFFFAOYSA-N	236.275	-0.071	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)C(=S)NC	909991589	DLCGAAXCQWIFNQ-UHFFFAOYSA-N	244.364	-0.038	50	10	BBGE	
COC(=O)C(=O)NN=C1CCCc2c[nH]nc21	1257175999	DUGXCAFFURSAMS-UHFFFAOYSA-N	236.231	-0.261	50	10	BBGE	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cc[nH]n1	1300694651	UPYZCCCUHJKSQY-POYBYMJQSA-N	240.263	-0.422	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNC(=O)C1CC1	1331921430	UAFVELXZTRBRQR-OWOJBTEDSA-N	235.247	-0.608	50	10	BBGE	
N#CC1=CCN(C(=O)C2CS(=O)(=O)C2)CC1	1331935317	PSHXQCNMMCCAFL-UHFFFAOYSA-N	240.284	-0.287	50	10	BBGE	
CC[C@@H]1CC(=NNC(=O)C(=O)OC)CO1	1347226341	XGMIXRZQYFNHGN-SSDOTTSWSA-N	214.221	-0.170	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccnn2)C1	1466330009	LZELFECBWVCSJR-SFYZADRCSA-N	249.274	-0.179	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cc(C#N)ccn1	1633133311	WMFWJMRRKUEUAP-UHFFFAOYSA-N	248.242	-0.515	50	10	BBGE	
O=C(O)CN(CC(=O)O)C(=O)C(Cl)Cl	1866331905	PKCJSMGPOYZPIQ-UHFFFAOYSA-N	244.030	-0.212	50	10	BBGE	
NCCOCC(=O)NC[C@H]1C[C@H]1Cl	1883554953	WOYIUYKFHQFPSE-RNFRBKRXSA-N	206.673	-0.295	50	10	BBGE	
N[C@H]1CC[C@@H]1NC(=O)/C=C/C(=O)Cl	1883647615	OPGYVTCBZWBGLT-WFYOFFIASA-N	202.641	-0.086	50	10	BBGE	
COCCN1CCN(C(=O)F)CC1=O	1887174138	WDMNPYOYTASOMG-UHFFFAOYSA-N	204.201	-0.134	50	10	BBGE	
N#CNCc1sc(Cl)cc1B(O)O	1892532425	LJGLEGBDVKEVGI-UHFFFAOYSA-N	216.458	-0.348	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@H]2CF)c(C)c1B(O)O	1896772674	UFBVKMQETFLMBF-IUCAKERBSA-N	226.060	-0.215	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1905583323	IBFHJBMSSKFQLA-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914260183	ALLMHFSGUQTRDR-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1F	1928692286	MSSCCFNEIDAJAQ-XLPZGREQSA-N	219.260	-0.576	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@H](Cl)CCO1	1933453104	FWWRICNKZLZIIK-RNFRBKRXSA-N	231.687	-0.170	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@H](O)CCO1	1933453141	GCHWWJHLNQQTSU-RQJHMYQMSA-N	243.712	-0.358	50	10	BBGE	
COC1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1936095139	UHPQIZUPWHGHDY-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)C1CN(C)C1	1937467631	MBXKRBBDXOWFQU-JTQLQIEISA-N	228.340	-0.219	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1938245967	CHLJJWOPDCVURI-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)CC1(C(=O)NN)CC1	1938246554	JKYGIMDPHSDORP-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@]12CC[C@@H]1C2	1940153894	SJMPRVYGSLWYEO-MLUIRONXSA-N	238.077	-0.439	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1OCCO[C@H]1C	1940290478	AZUTYUGDQYBQBF-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1CO	1941083243	OPWJREWDELHUHJ-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1CCCl	1954821582	AQQUWBQIVZIAJA-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
O=S(=O)(CCl)NCc1nccc(O)n1	1955961069	VTPGSWCPXNKJCV-UHFFFAOYSA-N	237.668	-0.202	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CC1(C)C	1961520274	NESQSLHBFNBCEV-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
CCN(CC)c1ncnc(C)c1B(O)O	1961705621	FMFLWDUWRRTEEJ-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@]1(CN)CO	1962292586	UETQEJFPDZNETL-BDAKNGLRSA-N	233.699	-0.861	50	10	BBGE	
Cc1ncnc(C)c1C(=O)N1CC[C@@H](B(O)O)C1	1964510202	IXQBYYCMFVHHOD-SECBINFHSA-N	249.079	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)N(C[C@@H]1CCOC1)C1CC1	1980760562	UZCFDDYWLCFCFU-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CCO[C@H]2C1	1981242928	QJCDYSNDPHNYBB-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCOCCOCC(=O)NN)N(C)C	1983694046	NEBJLAJYXWSBGY-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H](CO)C1	1984128153	KVBLPBXLGXJVNE-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
C=C[C@@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1990540212	QCJWDRLXUNVWSA-LLVKDONJSA-N	225.292	-0.621	50	10	BBGE	
C=C(CN1CC[C@H](N(C)C)[C@@H](C)C1)B(O)O	1992148835	UKPRUGQSYKJUAJ-ONGXEEELSA-N	226.129	-0.173	50	10	BBGE	
COC[C@](C)(CN1CC(=O)OC(=O)C1)OC	1992177130	XUQMTGVONUQSAV-JTQLQIEISA-N	231.248	-0.577	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@H](C(=O)NN)C(C)C)C1	2000967009	KQKJJKQHMPZYDB-AEJSXWLSSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](OCCO)C1	2001032296	WFCBOXYTGQXYOH-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
N#CCCN1CCN(CCCC(=O)NN)CC1	2003828276	KOHXFELMQHMONP-UHFFFAOYSA-N	239.323	-0.712	50	10	BBGE	
CN1CCN(CCC(=O)NN)c2cnccc21	2004309635	JHFMYNOJRMMGCF-UHFFFAOYSA-N	235.291	-0.282	50	10	BBGE	
CCN([C@H]1CCNC1=O)[C@H](C(=O)NN)C(C)C	2004315008	VTJOOLBDBIJQNU-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1cnccc1N1CCOC(F)(F)C1	2004918984	SNMWIQWPRIQLDE-UHFFFAOYSA-N	244.006	-0.809	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CC(F)(F)C2)n1	2004928216	BTPGCZVHLXIJNG-UHFFFAOYSA-N	244.006	-0.359	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)CCO1	2004929164	JEMGEQDLDQZYLP-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncc(B(O)O)cc2F)CO1	2004935759	PUOKHQUVXUHZQT-SVRRBLITSA-N	241.027	-0.543	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@H]3C2)ncc1B(O)O	2004971333	PSMUAEPMIAMUET-BDAKNGLRSA-N	233.080	-0.689	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	2016081531	VTOURFWUNGCQRZ-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1[C@@H](N(C)CCC(=O)NN)C2CCN1CC2	2017622620	KLAMGGNIESVHSF-JOYOIKCWSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCOC1(C)C	2019213919	XFNMBYUDCKSMFV-SECBINFHSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@@H]3C[C@H](C2)O3)C1	2021435524	KHVVFGMYBBKNDH-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@]2(C)CC[C@@]1(CO)C2)C(=O)NN	2022074224	YGPBHUSQLYYSEQ-USWWRNFRSA-N	241.335	-0.151	50	10	BBGE	
CCN(CCF)C(=O)c1ccc(B(O)O)cc1	2022196304	KINKJADUALDUHB-UHFFFAOYSA-N	239.055	-0.202	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](OC)C1	2025520428	FTNRLNUSTRRXLM-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@@H]2C1	2052473250	VFRXFRGSJPLHRB-FXPVBKGRSA-N	247.107	-0.219	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)ccc1B(O)O	2053735451	LPPBJZATVOBBHQ-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
COc1cc(B(O)O)c(Cl)cc1[N+](=O)[O-]	2060017246	RJWCGZUVDAZQHF-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
COc1ccc(C=O)c(OC)c1B(O)O	2060237211	GLYKYLQKNXBWPR-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
Cc1nc(C)n(Cc2cc(B(O)O)cs2)n1	2211072637	OQCUZRATIZJZJT-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CNCCCCOc1ncccc1B(O)O	2212602921	ARTJQKZJGJTVBC-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
OB(O)c1ccc(=NCc2ccoc2)[nH]c1	2212612507	LCBALPKPASUGNH-UHFFFAOYSA-N	218.021	-0.612	50	10	BBGE	
OB(O)c1ccnc(NC2[C@@H]3CCC[C@@H]23)c1	2212613665	YDULELNANAWBBO-RKDXNWHRSA-N	218.065	-0.028	50	10	BBGE	
C=CC[C@H](CO)Nc1ncccc1B(O)O	2212614791	HGZQVVQAEGMKMM-MRVPVSSYSA-N	222.053	-0.890	50	10	BBGE	
CN1CC2(CCN2[C@H](C(=O)NN)C(C)(C)C)C1	2216595192	NUVTUTUSXRMBNQ-SECBINFHSA-N	240.351	-0.219	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Oc1ncccc1B(O)O	2217168041	WFENPUIZCYKZTQ-RKDXNWHRSA-N	236.080	-0.734	50	10	BBGE	
N[C@H]1C[C@H](CNc2nccc(B(O)O)c2F)C1	2217182099	ZBIAELPBAKKAIW-LJGSYFOKSA-N	239.059	-0.950	50	10	BBGE	
C[C@@H](CC(C)(C)O)Nc1ncc(B(O)O)cn1	2217199684	OFFRMDJTNQODIP-ZETCQYMHSA-N	239.084	-0.882	50	10	BBGE	
CCC(CC)OCn1cc(B(O)O)cnc1=O	2217410466	GRJQHBMLPWYPSH-UHFFFAOYSA-N	240.068	-0.914	50	10	BBGE	
O=C(C[C@@H]1C=CCC1)Nc1ncc(B(O)O)cn1	2220157092	QJJNMVOPXWYXJR-MRVPVSSYSA-N	247.063	-0.549	50	10	BBGE	
OC[C@H]1C[C@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2223636453	JTLISKCANHTCJK-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N)C[C@@H]2C)cc1B(O)O	2223648256	JDYNQBXRSDVVPC-VHSXEESVSA-N	249.123	-0.614	50	10	BBGE	
N#CC1=CCN(c2nccc(B(O)O)c2F)CC1	2223649607	ZPMKPAWZSJUPJB-UHFFFAOYSA-N	247.038	-0.439	50	10	BBGE	
Cc1cnc(N2C[C@H](C)[C@H](CN)C2)cc1B(O)O	2223653403	RBJQICYGFOBJIR-VHSXEESVSA-N	249.123	-0.899	50	10	BBGE	
Cc1cnc(N2CC[C@]3(CCO3)C2)cc1B(O)O	2223653533	SKGZXWOWYWRWKM-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
C[C@@H](CN1CCCC1)Nc1ncccc1B(O)O	2223667730	ROOXXYIEIVZXSP-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(C)C)s1	2241480491	LFXYXXDXYHMVTQ-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
CC(C)CONC(=O)c1cscc1B(O)O	2243347219	JLWMHHOMLLUDGR-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
CN(C[C@H](F)C(F)(F)F)C(=O)C#CB(O)O	2243348831	ALMQEYKTLWLAAV-YFKPBYRVSA-N	240.949	-0.639	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)C1(B(O)O)CC1	2243365794	SFNJVPGBMIASDG-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
Cc1cc(C(=O)NCCCF)sc1B(O)O	2243375561	VPCXVJFRVFNAEQ-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
O=C(N[C@@H](CO)C1CC1)C1CC(B(O)O)C1	2243381149	CUCDWKVYFGVJIF-HACHORDNSA-N	227.069	-0.874	50	10	BBGE	
C#C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2243381592	HALFXUXYSOVQQH-UTLUCORTSA-N	221.065	-0.233	50	10	BBGE	
C=CCCOCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243396082	HDZNWUSHINAXOD-IUCAKERBSA-N	227.069	-0.442	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ncco1	2243396530	NMRYUKGNFKUTAC-ACZMJKKPSA-N	224.025	-0.285	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243397334	ZBEATVVLJTWOQB-IUCAKERBSA-N	226.085	-0.987	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CC(C)(C)C1	2243400253	YBZNFHYJKNDTLR-SECBINFHSA-N	223.081	-0.104	50	10	BBGE	
COC1(CN(C)C(=O)C#CB(O)O)CCC1	2243401976	ZYWLLVAFCNSJRT-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccsc1B(O)O	2243408105	HBHHTCOLYIYJLV-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2243408143	IAXFIYANZVCDGT-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)cs2)CC1	2243419708	FKEDKTHMEMLJKP-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243426882	NFRKTXMFNGFGMZ-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
CC[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427486	WISJMWQKPQTIML-MAUMQABQSA-N	229.085	-0.485	50	10	BBGE	
C=C(CS(=O)(=O)N1C2CCC1CC2)B(O)O	2243434113	UVAUWUGBAKTQCT-UHFFFAOYSA-N	245.109	-0.489	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1cocc1B(O)O	2244214556	UOEGXWGWBFCELO-YLWLKBPMSA-N	243.455	-0.684	50	10	BBGE	
O=S(=O)(CC1CCC1)NCCC#CB(O)O	2244536830	FYVBANAAJXPGOB-UHFFFAOYSA-N	245.109	-0.889	50	10	BBGE	
NCCCCOc1cc(B(O)O)c(Cl)cn1	2245912776	HEQHURDLVFPRBI-UHFFFAOYSA-N	244.487	-0.468	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)oc1C)C1CC1	2247738709	UTKOHUYNBUNNIL-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccoc1B(O)O	2247744340	RFHTTXVXLRKHBX-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
CN(CCC1CNC1)C(=O)C1(B(O)O)CCC1	2247753317	FJBXKIVIWNAYRK-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(C)cc1B(O)O	2247761100	QWDMPZNQDVJAQS-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
Cn1ccnc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785637	OIBABCLWWPYEGH-OCAPTIKFSA-N	237.068	-0.711	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@@H]1C[C@H]1B(O)O	2247799610	GAMURDBJRKJEMF-CHHOWFRJSA-N	239.080	-0.657	50	10	BBGE	
O=C(NC1CN(C2CCC2)C1)[C@@H]1C[C@@H]1B(O)O	2247800074	KZPRFAGWNVYVOO-ZJUUUORDSA-N	238.096	-0.798	50	10	BBGE	
C[C@H](Cn1cccn1)NC(=O)[C@H]1C[C@H]1B(O)O	2247803357	ARTVWPZCRPFVKC-HRDYMLBCSA-N	237.068	-0.749	50	10	BBGE	
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2B(O)O)ncn1	2247809824	RMLSCFDSKZGCOG-RNFRBKRXSA-N	232.008	-0.850	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H]2[C@H]1CO	2247810137	VBJHVBNWDPIFAN-IRWNXEEJSA-N	239.080	-0.921	50	10	BBGE	
CC[C@@H](C)CCNC(=O)c1cc(B(O)O)c[nH]1	2247848071	GOVWHCGZOGPJNN-MRVPVSSYSA-N	238.096	-0.140	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2occc2B(O)O)[C@@H]1C	2247852842	AQNCCRZNORIQEU-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
O=C(N1CCC[C@H]1C1(O)CC1)C1(B(O)O)CC1	2247872372	QZMYLRGUJNWGEW-QMMMGPOBSA-N	239.080	-0.491	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)CC1	2247879208	RKDDTZRWCXNALX-KYZUINATSA-N	240.112	-0.230	50	10	BBGE	
O=C(NCC1=CCNCC1)[C@H]1C[C@@H](B(O)O)C1	2247892884	JEBJUVOSWJXNOU-AOOOYVTPSA-N	238.096	-0.725	50	10	BBGE	
CN(Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1B(O)O	2247894995	MZKCUUKEFXKBDR-RKDXNWHRSA-N	237.068	-0.759	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCOC2)[C@H]1C[C@H](B(O)O)C1	2247897298	QIOLVPACKNQTBX-TURQNECASA-N	239.080	-0.465	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908919	BUXYXSJXWWNDIM-QCLAVDOMSA-N	239.080	-0.301	50	10	BBGE	
C=CCCC(=O)Nc1ncc(B(O)O)cc1F	2248434506	ZKMIDBLAAPKIDZ-UHFFFAOYSA-N	238.027	-0.195	50	10	BBGE	
CC(C)(C)OC(=O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2248580112	ZJKBULBHMJOWQB-RNFRBKRXSA-N	243.068	-0.693	50	10	BBGE	
CCN(C[C@H](C)C(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248589908	WRSKSQRXCXFYKP-BIIVOSGPSA-N	243.068	-0.582	50	10	BBGE	
C=CCN(CC=C)C(=O)c1cc(B(O)O)co1	2249418126	PKAXVBSRSHOEID-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1cc(B(O)O)co1	2249418644	WVBRTQCSLKKDDV-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1cc(B(O)O)co1	2249433295	KSYIQASCIGZSFI-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CO[C@H]2C3)nc1	2249622582	WMPIOJSZYBUTKI-JEZHCXPESA-N	234.064	-0.649	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ncccc1B(O)O	2252739811	LEYUNWQIAYDPCX-UHFFFAOYSA-N	238.052	-0.609	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1occc1B(O)O	2255487611	RVVRZXIOPGIYTE-SCZZXKLOSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1occc1B(O)O	2255488859	KVPUMBCKMOACHZ-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N(C)C2CC2)c1	2255502300	GUZBCLJGTVUCRC-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC=CCC1	2255507889	FSKXETKLGODPIB-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
C#CCCCNC(=O)c1ccc(C)cc1B(O)O	2255513326	OMPMHOWVLPPZML-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)ccc1C	2255513840	YVTMPSXRNYAKFT-LLVKDONJSA-N	245.087	-0.184	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ccc(B(O)O)cn1	2255517870	XZYYPRKOIAXXLK-SNVBAGLBSA-N	246.075	-0.707	50	10	BBGE	
C#CCNC(=O)c1cc(B(O)O)cc(C(C)C)c1	2255527761	QTKIPNOGEKGVJP-UHFFFAOYSA-N	245.087	-0.147	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@@H]1C1CC1	2255554081	HUYJBMMZJNRFBG-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(C)cc(B(O)O)c1	2255689235	HXKGYTJEQCOGJH-LLVKDONJSA-N	245.087	-0.019	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC[C@H]2C)n1	2255726026	REWHXGOEZONGBB-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@H](C1)C2	2255729816	BJFGZSSUUWXXEV-DTORHVGOSA-N	248.091	-0.813	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCCN2)c1	2255731090	ZYCRCAPTLGBZTD-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccncc1B(O)O	2255732869	BVSXVDSZBSGQCT-POZPLHJXSA-N	246.075	-0.710	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)ccc1O	2256015526	WBIWQTVQRCQGPZ-ARJAWSKDSA-N	249.075	-0.232	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1nccnc1B(O)O	2256045474	LVHJAQGXMJXEGU-RDDDGLTNSA-N	249.079	-0.925	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)c1ncc[nH]1	2258121423	OLQIGWVTCLLHGL-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1ccc(CNC(=O)c2cc(B(O)O)co2)o1	2258129266	VFBVUDKKEANCJT-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
N#CCC1(CNC(=O)c2cc(B(O)O)co2)CC1	2258153438	SHNUWJZODOEQPW-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
CCC[C@H]1CNCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371548	OFNPOQMPLVJWIC-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CC(C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376856	SVVZLHIWHOVLOZ-FXPVBKGRSA-N	243.112	-0.237	50	10	BBGE	
COC[C@H](OC[C@]1(C)CCCN1C)C(=O)NN	2300070296	UNGNLUVMIPYHGH-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1cncc(C(N)=O)c1	2300922109	WFGFPNOZLBABKW-LURJTMIESA-N	238.247	-0.672	50	10	BBGE	
CC[C@@H](N)CNc1ccc(B(O)O)cc1C#N	2301343314	JPLYFYYETZOHCM-SNVBAGLBSA-N	233.080	-0.613	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](B(O)O)C1	2303113865	GTFMONAWGFRQOV-MRVPVSSYSA-N	237.068	-0.285	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C2=COCCO2)C1	2303114021	IJYFAPWSDPLSFG-JTQLQIEISA-N	241.052	-0.660	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1cc(B(O)O)c[nH]1	2312848047	IBMKLNOIDIDKFD-JEZHCXPESA-N	248.091	-0.387	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCC1(N)CC1	2317161036	JXNPAOOWULCQSH-UHFFFAOYSA-N	245.091	-0.469	50	10	BBGE	
COc1ccccc1C(=O)NCC(=O)NN	2451329	OUQRWIGGIIMMTA-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1COc2ccccc21	70069155	SXANNYAZSPQVTI-SSDOTTSWSA-N	221.216	-0.774	50	10	BBGE	
COC[C@@H](O)CN(C)CCCCCC(=O)NN	71292086	FVZYSTOUNOSHEK-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
NNC(=O)CCOC[C@@H]1CCCCO1	82463772	APPQAIMKMVIEKC-QMMMGPOBSA-N	202.254	-0.048	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](O)C1	82470436	YYEYOHLRIFZXRF-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CC(C)N(CCCO)[C@H](C)CC(=O)NN	82470878	KYASNXPEHHGKMC-SECBINFHSA-N	217.313	-0.152	50	10	BBGE	
O=C(CCCl)N1CCN2C(=O)NC[C@@H]2C1	85807858	WRZDIMAPPWHWPJ-SSDOTTSWSA-N	231.683	-0.149	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC(O)CC2)o1	104116645	CZOPICMJPDNGNG-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
COCCN(CCCCC(=O)NN)CCOC	110594665	KZJKJRGCZDAVDI-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
NNC(=O)c1occc1Cn1ncccc1=O	110601807	WGGNIYAGMLGEJR-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
O=C(CCl)NC(=O)NCCNC(=O)C1CC1	135158016	SLQPIUISAABZCR-UHFFFAOYSA-N	247.682	-0.423	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	149123200	UDWYKGPSLHPWPR-BQBZGAKWSA-N	215.253	-0.175	50	10	BBGE	
O=P12N3CCNCCN1CCN2CC3	196767479	PDRCKACZEOIMFE-UHFFFAOYSA-N	216.225	-0.369	50	10	BBGE	
COC(=O)N1CCC[C@@H](C(=O)NN)CC1	215366362	KORUYRCKBPXADN-SSDOTTSWSA-N	215.253	-0.155	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](N)C1	216481392	AMIHODYFMYJHNP-RKDXNWHRSA-N	214.313	-0.432	50	10	BBGE	
CSCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	226940004	NFDJBDGTEAXETG-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](CCO)C1	227444805	LQRFIUWUKDJXOM-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](C(=O)NC)C1	232300919	SMZKXGNXYGQWTG-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
CCOC(=O)c1c(Cl)cncc1B(O)O	238300521	YIBVUTYQZACTNN-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1cccnc1	259212129	ZWEZQUUGTGFGEX-SECBINFHSA-N	208.265	-0.456	50	10	BBGE	
CC(C)CC(=O)NNC(=O)c1cn(C)nn1	289818278	SNBVAHCVSLTTAH-UHFFFAOYSA-N	225.252	-0.378	50	10	BBGE	
CS(=O)(=O)N[C@H]1COC[C@H]1Br	306501147	QZVHTOGYIFPVIO-UHNVWZDZSA-N	244.110	-0.302	50	10	BBGE	
Nc1cc2c(N)ccc(B(O)O)c2s1	306597801	ZXKTZGFPMSNDDT-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O=C(CCl)N1C2COCC1COC2	307668836	RBZHYPPWYNSQDC-UHFFFAOYSA-N	205.641	-0.149	50	10	BBGE	
O=C(O)c1nc(C(F)(F)F)ccc1B(O)O	380507987	KGPMXMWJKXNCHX-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1CCO	388728514	YKGMUDPPXYVBQO-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)no2)C[C@@H]1O	388881436	QWZGZGNRDFLMPD-MUWHJKNJSA-N	240.263	-0.909	50	10	BBGE	
CO[C@H](C)CN(C)[C@H](C)[C@H](C)C(=O)NN	389370101	KLLKXDDKGPHUPM-HRDYMLBCSA-N	217.313	-0.032	50	10	BBGE	
C[Si](C)(C)c1cccc(B(O)O)c1C#N	389569236	BBEVCEKETIAMQC-UHFFFAOYSA-N	219.125	-0.217	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)C[S@@](C)=O	399935578	ZFMXPPXUVGHDLL-ABFUHYCJSA-N	249.380	-0.156	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401551884	SRQVXKGJVQUGFH-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1F	404915435	OAPNBKKJHKZPPS-LURJTMIESA-N	241.027	-0.521	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H]1CCNC1=O	575524380	HZTNICRTJIDZHT-RFZPGFLSSA-N	235.081	-0.226	50	10	BBGE	
NC(=O)NNC(=O)c1nccnc1Cl	606284101	INQBNJCPOMDSOA-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)C(=O)NN)[C@@H](C)O1	686388262	GFIZNWOTZDMAJL-BWZBUEFSSA-N	229.280	-0.752	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](CO)CC[C@H]1C	688756690	VDEVRZPYKSWORT-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@H]1CCN(C)C1	693430226	BRVWLPOFBBLPLG-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
Cc1nn(COC(C)(C)C)c(C)c1B(O)O	694274909	GCSZWKWBFOECHR-UHFFFAOYSA-N	226.085	-0.048	50	10	BBGE	
Cc1nn(CCc2cnccn2)c(C)c1B(O)O	694309748	PWWGSCKMBXVHOD-UHFFFAOYSA-N	246.079	-0.788	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@]1(C)CO	694660983	KBAVXSVFQUJWKB-JOYOIKCWSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)CCN1CC(N2CCCC2)C1	697798625	JMTMMNFBEMTWQV-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299531	FSDDEVXPVXRRRU-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCC[C@@H]1O	708052463	YCDCXXMRSHZNNC-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCN(C)C1=O	708561947	PWNXLXXSGKDASB-DJLDLDEBSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1ccccc1OCc1cnccn1	710501140	UZXHWNJMJVVJPN-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CN(C[C@H]1CCCSC1)C(=O)C(=O)NN	718294657	MJHLBXOKFYKKOS-SSDOTTSWSA-N	231.321	-0.422	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C(N)=O)CC1	722200571	HBJPNFSMPBGFPT-ZETCQYMHSA-N	216.672	-0.186	50	10	BBGE	
CN(NC(=O)C(C)(C)c1cnn(C)c1)C(N)=O	752718513	QDJFOAAKEVQWMQ-UHFFFAOYSA-N	239.279	-0.261	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NN(C)C(N)=O)C1	816958094	CQPDIXSCBWZXTQ-SSDOTTSWSA-N	214.269	-0.630	50	10	BBGE	
CC(C(=O)N1CCC(O)(C#N)CC1)=C1CNC1	821981550	WDFALXRKQHIDSP-UHFFFAOYSA-N	235.287	-0.217	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](C)C#N)n1C	1329196861	RBXZHZMEHSAHFT-RXMQYKEDSA-N	208.225	-0.274	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](NC(N)=O)C(C)C	1627335611	CWZHLXCNASGUNO-QMMMGPOBSA-N	246.311	-0.711	50	10	BBGE	
COc1ccc2ncc(C(=O)NN)n2c1	1875251835	FWUSTFUFRDXXPC-UHFFFAOYSA-N	206.205	-0.054	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@H]1NC(=O)NN	1878071281	SCMJKORPAOPVTL-PHDIDXHHSA-N	221.282	-0.875	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1S(=O)(=O)CCl	1880868138	FLNFSSLSBOVAGP-RITPCOANSA-N	213.686	-0.032	50	10	BBGE	
O=C(N[C@H]1C[C@@H](Br)C1)c1nn[nH]n1	1882559034	PINQHSWLCMYNRD-ZXZARUISSA-N	246.068	-0.145	50	10	BBGE	
N[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1883648767	FWFVKEKTNWOFSX-UGQQDIOTSA-N	202.641	-0.132	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](NCC2COC2)C1	1885008778	DPPIAAFGPCLUML-JGVFFNPUSA-N	239.724	-0.373	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1CF	1886123166	UDIYPXOZGNDWHF-ZETCQYMHSA-N	205.233	-0.963	50	10	BBGE	
CN(C)NC(=O)C(F)(F)[C@H]1CCNC1	1886209001	WEQVDEUWBPEQCL-LURJTMIESA-N	207.224	-0.176	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)C(=O)C(=O)NN	1888816692	DFIGBSBGLQUPKD-NTSWFWBYSA-N	203.217	-0.960	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893462015	VHNJHKXOYCNJGR-HSNKUXOKSA-N	218.684	-0.547	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475364	SPYPTWIYZWTHMQ-AZGQCCRYSA-N	221.640	-0.436	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@H](C)CC(=O)NN)C2	1894669663	MBOGGRZFOKWODT-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
CN(NC(=O)c1ccc(CN)o1)S(C)(=O)=O	1901373274	IZCSYOZGBFEMRD-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
CC[C@](C)(Cn1ccn(C)c1=O)C(=O)NN	1902731092	KPVUYAQOPHVLJI-SNVBAGLBSA-N	226.280	-0.407	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCOCC2)O1	1909806017	UHEBKMSWRDKFGX-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CCC[C@@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1910794069	YRGIFAFONGECRU-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
Cc1csc(=O)n1C[C@H]1C[C@@H]1C(=O)NN	1927911833	RTOXFJNCHPMOAT-RQJHMYQMSA-N	227.289	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]1CO	1929740619	KMQWQIJEISPTLW-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
CCc1nnsc1C(=O)NNCCO	1929834864	JFGGDIBUUVMXRO-UHFFFAOYSA-N	216.266	-0.673	50	10	BBGE	
Cc1nn(C)c(C)c1C(=O)NNCCO	1929836179	FCBYMGZBPUZXKY-UHFFFAOYSA-N	212.253	-0.736	50	10	BBGE	
CC1(F)CN(CC(F)(F)C(=O)NN)C1	1930278212	HNEBLKSIICGNPW-UHFFFAOYSA-N	211.187	-0.345	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C(F)(F)C12CCC2	1930396838	WYNPLJGZBLPDLC-YFKPBYRVSA-N	218.996	-0.450	50	10	BBGE	
CC(C)[C@]1(O)CCN(CCC(=O)NN)C1	1930889227	CXJMERIXBRRIHO-JTQLQIEISA-N	215.297	-0.541	50	10	BBGE	
CCOCCCN(C)CC(F)(F)C(=O)NN	1935942738	VQSLPMVENZOWGM-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
C[C@@H]1SCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936093677	GQPCJGDOXRPFAL-BIIVOSGPSA-N	243.332	-0.424	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1COC[C@@H]1CCl	1937178668	BWINQODLWBOURS-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CCO)CC1	1938246305	GUCNKYJKBANQEL-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CCCCN1CCCNC(=O)CC1	1941632148	ASANUQQMIYXEKN-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CN1CC(N(C)Cc2occc2C(=O)NN)C1	1941725568	MHKOJRZJHIHBTC-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](N)CC(C)(C)C1	1942540805	GWGKCNSHCAYYRO-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)C[C@@H](O)C1	1953537712	ZQCKKLKDCGPIFQ-OLQVQODUSA-N	238.081	-0.665	50	10	BBGE	
CCCCOCC(=O)NNC(N)=S	1954236941	XGEJVXPQCNTETO-UHFFFAOYSA-N	205.283	-0.333	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)C[C@H]1CO	1956256411	NRRAMRAOFOGIBU-DTWKUNHWSA-N	222.716	-0.806	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1958774656	JHQVRXVBTNHUCQ-ZTKNNBQKSA-N	233.695	-0.186	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2CSC[C@@H]2C1	1958856674	SOLCLDWIFVBBOM-ZMONIFLSSA-N	229.305	-0.766	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)C(=O)NN)co1	1961254882	YRJSIZVAGHQENW-ZCFIWIBFSA-N	212.253	-0.207	50	10	BBGE	
C[C@H]1CCCN1c1ncccc1B(O)O	1961693712	CCQNGVJPJRRBAT-QMMMGPOBSA-N	206.054	-0.250	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2C[C@H]2CCl)n1	1962198030	KINRTCFURQFQJZ-WDSKDSINSA-N	229.671	-0.185	50	10	BBGE	
CONCCC(=O)N1CCC(O)(C#N)CC1	1975896399	HIEXYYMDKVCRTP-UHFFFAOYSA-N	227.264	-0.595	50	10	BBGE	
C[C@H]1C[C@@H](CCn2ccc(B(O)O)n2)CO1	1976358830	WAHPNOROJHCKNZ-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CC2(CC2)CO1	1979380435	VIOGTZJXIVXVDV-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSCCCO)n1	1980591667	AMBAFNMNZGSATJ-UHFFFAOYSA-N	244.320	-0.361	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2C[C@]2(O)C1	1980980609	HUGFCAAXCYWTNA-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1C[C@@H]2O	1981217020	PFCFVBFLLSTJDL-SPFKKGSWSA-N	225.292	-0.933	50	10	BBGE	
COC[C@@H](C)Oc1ncc(C)cc1B(O)O	1981423569	GHMUTZPLEHVNFZ-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
Cc1nc(N2CC3(CC3)C2)ccc1B(O)O	1981468354	AJYQWAUQUQDORQ-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
COC[C@H](Sc1ncc(C)n1C)C(=O)NN	1983441509	TVPQIQSGXZTSBL-ZETCQYMHSA-N	244.320	-0.174	50	10	BBGE	
Cn1cc(C(=O)NNC(N)=O)c(C(F)F)n1	1984201226	KMUIGBXJSOSQJM-UHFFFAOYSA-N	233.178	-0.329	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	1986053749	XHEAWPUVSOYBAF-JXUBOQSCSA-N	227.308	-0.136	50	10	BBGE	
Cc1ncnc(C)c1N1CC(=O)OC(=O)C1	1987452737	LQQFCFOOZMIMPY-UHFFFAOYSA-N	221.216	-0.017	50	10	BBGE	
C[C@@H](F)CN1CCN(CCC(=O)NN)CC1	1988564891	PCRZHACCFWIKIA-SECBINFHSA-N	232.303	-0.658	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(OC(C)C)C1	1990774196	GAKMIUCSBBBHKA-UHFFFAOYSA-N	229.280	-0.737	50	10	BBGE	
Cc1ccnnc1C(=O)NCC=CB(O)O	1991332838	RUZCQIZJUOQAFS-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](O)C1(C)C	1991461242	PSZQJPPVCIDSPA-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
CO[C@@H]([C@H](C)NC(=O)C(=O)NN)C(F)(F)F	1991805763	CSRYRHIHZNCVSJ-IMJSIDKUSA-N	243.185	-0.942	50	10	BBGE	
CC1(COc2cncc(B(O)O)c2)COC1	1992277541	NZDGOVGSRCPMEG-UHFFFAOYSA-N	223.037	-0.823	50	10	BBGE	
COCC1(CN2CC(=O)OC(=O)C2)COC1	1994015557	XDKLAAALTFUFBB-UHFFFAOYSA-N	229.232	-0.965	50	10	BBGE	
CC1(C)CC(C(=O)N[C@H](CB(O)O)C(=O)O)C1	1998130405	JKTMHFQLHTVOPE-SSDOTTSWSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(CO)CCC[C@@H]12	2000944579	PRQUMFLSIRKSTQ-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	2003744341	MPQALTUSVYJGGR-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)[C@H](C)CO1	2004919513	ZUYJOSRRGGEPFS-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CCOC(C)(C)COc1ncc(B(O)O)cn1	2004930541	UMTFALCVLBAUTD-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
CC[C@](C)(COc1ccc(B(O)O)cn1)OC	2004951440	MRDMRDYGBFPMLG-LLVKDONJSA-N	239.080	-0.045	50	10	BBGE	
CC(=O)NNC(=O)CN1CC([C@H]2CC2(F)F)C1	2019206959	BBSLCWVQSPHCTC-MRVPVSSYSA-N	247.245	-0.259	50	10	BBGE	
CO[C@@]1(C)CN(CC(=O)NN)CC[C@@]1(C)OC	2022150079	QPTSZIQLDMWGJS-MNOVXSKESA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cnc(N2Cc3ncsc3C2)nc1	2023208258	ILBBJIDRGOXRNW-UHFFFAOYSA-N	248.076	-0.867	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)C[C@H]1CO	2025382262	AYJDQEBTXAFZEN-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](OCCCO)C1	2026093317	FYNHJEBPZOFDQD-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CCOCCN1Cc1cccc(B(O)O)c1	2031609630	KKSASBZFHTVIMK-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1cc(C#N)cn1	2050244633	ZTVMPKRUKSAHEZ-UHFFFAOYSA-N	245.246	-0.860	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3OCC[C@@H]3C2)cc1	2052032154	CSOXHTKCLYIBCZ-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCN(C)[C@@H](C)C1	2052622083	PIDPACXJQRGMPW-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCc1cc(OC)cc(B(O)O)c1OC	2060059163	FPUTXFHQDGFEPV-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
CCc1ccc(B(O)O)c(C=O)c1C#N	2060235707	LEGBXQVMOQSDDA-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
N#Cc1c(B(O)O)ccc(OC(F)F)c1F	2060262955	DFGIUGGNIQCLBG-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)c1ccccc1B(O)O	2079009470	IAEYULSKICRNQG-JQWIXIFHSA-N	249.075	-0.726	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cc(B(O)O)ccc1F	2079012402	SXYJIZFJOFTMQB-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2209401211	XQLVBHKCDATXFO-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CN1CCC[C@H]1COCCC(=O)NN	2209910200	VVOAZOOPTBYOOM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CCCN1c1nccc(B(O)O)c1F	2212605730	JEWBTARKPUWPMZ-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
CO[C@@H]1CC[C@H]1COc1cncc(B(O)O)c1	2215110470	SIYXRVAYXPMSTJ-GZMMTYOYSA-N	237.064	-0.435	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CCC(=O)N2)C1	2216172475	NAVHLSHCUNPNET-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
CC[C@@H](CN(C)C)Oc1ccc(B(O)O)cn1	2217171746	GIORMEAIDOYFAJ-JTQLQIEISA-N	238.096	-0.520	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H](O)CC1	2217174075	WCIMMGQJTRGLAV-VIFPVBQESA-N	236.080	-0.887	50	10	BBGE	
N[C@@H]1CCC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217178674	AFIZSSIFUFEICR-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
COCCCCN=c1cc(B(O)O)c(C)c[nH]1	2217179282	IWPPULVRXZBGTK-UHFFFAOYSA-N	238.096	-0.670	50	10	BBGE	
Cc1cnc(N2CC3(CC3)CO2)cc1B(O)O	2217183670	MRZMCWSAARGDTK-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCNC2)c1F	2217183849	ORBOKJRUCHNDCK-ZETCQYMHSA-N	239.059	-0.936	50	10	BBGE	
CC(C)N(C[C@H](C)O)c1ncccc1B(O)O	2217197192	KTGAHEVHMBSYEN-VIFPVBQESA-N	238.096	-0.643	50	10	BBGE	
CNCCN(c1ncccc1B(O)O)C(C)C	2217197843	RUDYYPVTZZFHHK-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3C=CC[C@H]2CC3)nc1	2223635509	YCCWYMSYLLZEKM-ATZCPNFKSA-N	245.091	-0.077	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1c1ncccc1B(O)O	2223640825	YSEOYYGCYGFQHI-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N[C@H]2CO[C@H]3C[C@@H]2C3)cc1B(O)O	2223642352	ZXDXHOAHOIEIOL-NGZCFLSTSA-N	248.091	-0.341	50	10	BBGE	
O=C(NCC=CB(O)O)C1(Cl)CC1	2241571025	PXQSWRKZDSQIIU-UHFFFAOYSA-N	203.434	-0.558	50	10	BBGE	
O=C(NCc1ccccc1)c1cc(B(O)O)co1	2241757292	ONNIRNTXVGNYSN-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
O=C(NNCCO)[C@]12COC[C@H](C1)C2	2242139799	VWFBUXVGJVMVIZ-XWEPSHTISA-N	200.238	-0.974	50	10	BBGE	
CCC[C@H](CNC(=O)C#CB(O)O)OCC	2243356018	AEFYHAOFLRQCOF-SECBINFHSA-N	227.069	-0.677	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccc(B(O)O)o1	2243357662	ZSHNIXWEPGBKFB-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
COCCN(C(=O)C#CB(O)O)C1CCC1	2243362681	UXYRWMXARUCMKW-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2243363076	AREUHJUHKFUCNX-RNFRBKRXSA-N	223.037	-0.612	50	10	BBGE	
CCOCCCNC(=O)C1CC(B(O)O)C1	2243395699	AUYGBRRFGAZPCU-UHFFFAOYSA-N	229.085	-0.218	50	10	BBGE	
CC(C)(NC(=O)C#CB(O)O)c1nccs1	2243401351	PWQSVQJAOIRLRM-UHFFFAOYSA-N	238.077	-0.490	50	10	BBGE	
C[C@@]1(NC(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2243401471	ROTBXKWBGFTXME-IYSWYEEDSA-N	234.970	-0.541	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccccc1Cl	2243401795	WVFBHQPGMYIFIC-UHFFFAOYSA-N	237.451	-0.028	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@@H](F)C1	2243409364	GPIPAIFGDLTYSU-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)C1(B(O)O)CC1	2243409581	KVAYBNCDNRMVJY-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)[C@@H]1C[C@@H]1B(O)O	2243426978	OJAJUINFBFTTAK-VGMNWLOBSA-N	227.069	-0.874	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12C[C@@H](CO1)C2(C)C	2245169893	ICWXOXBVSAEEOE-GZMMTYOYSA-N	227.308	-0.277	50	10	BBGE	
O=C1COC2(CN1)CN(C(=O)CCCCl)C2	2245336697	XJCWKYKUXILTDG-UHFFFAOYSA-N	246.694	-0.267	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)CC(C)C)n1	2247229558	YAUWJOMHYNIJIX-UHFFFAOYSA-N	238.096	-0.138	50	10	BBGE	
O=C(NCC1[C@@H]2COC[C@@H]12)C1(B(O)O)CCC1	2247732994	KKZSHHFODRWUIP-IUCAKERBSA-N	239.080	-0.608	50	10	BBGE	
NCC1(CNC(=O)C#CB(O)O)CCCCC1	2247737870	LFVCTYVOYKVHFI-UHFFFAOYSA-N	238.096	-0.973	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(C)(C)C1	2247738342	QIALHHRSNPGHAY-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
CCOCCN(C)C(=O)c1ccc(B(O)O)o1	2247741876	HEPVSGKRJNSXPJ-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
CCC[C@]1(CNC(=O)C#CB(O)O)CCCN1	2247742562	QJQTUNIRUZRBMV-LLVKDONJSA-N	238.096	-0.960	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)C1(B(O)O)CCC1	2247758752	XDFGYFVSBWUPLS-SECBINFHSA-N	242.128	-0.031	50	10	BBGE	
C=CCONC(=O)c1ccc(C)cc1B(O)O	2247760183	DCHCYCKOJAQBBM-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
O=C(N[C@H]1CCCNCC1)[C@H]1C[C@@H](B(O)O)C1	2247789943	CZGDHOPPXFZBDI-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
C[C@](O)(CNC(=O)C1CC(B(O)O)C1)C1CC1	2247796543	APFXBDCCUYLVQX-FBUXNDKQSA-N	241.096	-0.483	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247807003	PPRQACDOHYSSLF-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
O=C(N1CC2(CCOCC2)C1)C1(B(O)O)CC1	2247879908	YZQUVEOLPRFZQQ-UHFFFAOYSA-N	239.080	-0.368	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895371	RKYRSSFWXUSCHI-AATLWQCWSA-N	241.096	-0.267	50	10	BBGE	
O=C(NCCc1cccnc1)[C@@H]1C[C@@H]1B(O)O	2247896277	GBPCXNRWIADUCF-ZJUUUORDSA-N	234.064	-0.397	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC=CCC12COC2	2247899515	NTCFZPSMWOZERA-RKDXNWHRSA-N	237.064	-0.593	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCCC1	2247900304	VQJCEEMEMIIWSP-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
COC[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909038	DMZZSJVEQJKDKE-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2248578227	RMGHATWOPCEUIU-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248586694	FXABQQZTFGWYDL-CSMHCCOUSA-N	241.052	-0.828	50	10	BBGE	
N=c1cc(NC(=O)c2ccoc2B(O)O)cc[nH]1	2255467311	LEIZWXMHEKKKIB-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@@H]3C[C@@H]32)n1	2255493442	YZYRMFMEVSZNBT-SCZZXKLOSA-N	246.075	-0.696	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(F)c(B(O)O)c2)C1	2255501034	OLECRMXVQQBYIH-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C[C@H]3C[C@@H]3C2)c1	2255509086	HJVUHXCHEHMCAT-GHMZBOCLSA-N	245.087	-0.233	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)c(F)c1	2255512983	JCKZMERZRLVOFP-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1ccc(B(O)O)o1	2255669720	SJNVCRQKMASBDE-UFBFGSQYSA-N	249.075	-0.121	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1ccoc1B(O)O	2255678312	FZLIOHKLQDPSBP-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
O=C(NC1(C2CCC2)CC1)c1cc(B(O)O)n[nH]1	2255690069	UZASODDWLRMJPX-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(NC[C@H]1CC=CCC1)c1cc(B(O)O)n[nH]1	2255690271	YMOXDPAYYFECAT-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC=C1B(O)O	2256601868	UXRJIAZUCKWFGY-VIFPVBQESA-N	249.079	-0.143	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2C[C@]1(CO)C2	2299822395	MSYSAGSMVUBJHH-JGZJWPJOSA-N	241.291	-1.000	50	10	BBGE	
OB(O)c1cc(NC[C@H](O)C2CC2)ncc1F	2303847166	DXCWJOCBKYEZOT-VIFPVBQESA-N	240.043	-0.917	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CNCC[C@H]32)nc1	2312612210	IOTBIZCDIAVAHG-VWYCJHECSA-N	247.107	-0.971	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3NCC[C@@H]32)cc1B(O)O	2312612473	ZOSIQRIRICSMPH-LSJOCFKGSA-N	247.107	-0.768	50	10	BBGE	
CCC#CC(=O)NCCc1cccc(B(O)O)c1	2319294154	YUJLTKLAXHFYLO-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2ccn3cnnc3c2)C1	2319654927	ASAWNRYFRXUCLQ-SNVBAGLBSA-N	246.079	-0.222	50	10	BBGE	
C[C@H](Cl)c1cn(C[C@H](O)CO)nn1	82018447	ZUCVAABSIQWHTH-WDSKDSINSA-N	205.645	-0.069	50	10	BBGE	
NNC(=O)CCCN1CCn2ccnc2C1	82469256	USJSQHAFALGZQT-UHFFFAOYSA-N	223.280	-0.531	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCCN(C)C1)C(=O)NN	82471105	DYSQRVVLZNYQQS-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CCCN(CCN(C)C)[C@@H](C)C(=O)NN	82471174	OFQVGGCNACXVIH-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
NNC(=O)CCSc1nccc(=O)[nH]1	82472222	SRMMPICSQRXRKR-UHFFFAOYSA-N	214.250	-0.758	50	10	BBGE	
COC[C@@H](Cl)CNc1nnnn1C	83205686	GPHDDTKBGVKKSP-YFKPBYRVSA-N	205.649	-0.124	50	10	BBGE	
O=C(CCCl)NC[C@H]1CN2CCN1CC2	90698453	UQYAEEGWKPTXFV-VIFPVBQESA-N	231.727	-0.269	50	10	BBGE	
CN(C)CCN(C)Cc1ccoc1C(=O)NN	104194775	VAOYSTRLYCGZDW-UHFFFAOYSA-N	240.307	-0.124	50	10	BBGE	
NNC(=O)CCOc1cccc(F)c1C(N)=O	110564724	LVHBFVJWDORAGZ-UHFFFAOYSA-N	241.222	-0.317	50	10	BBGE	
CCN(CCn1cc(C(=O)NN)nn1)C(C)C	110573661	UOOYNDRFSRUROE-UHFFFAOYSA-N	240.311	-0.388	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCNC(N)=O	133357123	BSMRBNYYKQZMDV-BYPYZUCNSA-N	236.659	-0.892	50	10	BBGE	
CCc1cc(OC)c(B(O)O)c(OC)c1	202921792	VOFVKGCQLDVKOK-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
O=C(C[C@H]1CCCN1)N1CCC[C@@H]1B(O)O	204437883	YYTNIOPYAZSXTQ-RKDXNWHRSA-N	226.085	-0.869	50	10	BBGE	
CC(=O)Nc1cc(C=O)cc(B(O)O)c1	206079561	ROCNRBZZQWTQHT-UHFFFAOYSA-N	206.994	-0.863	50	10	BBGE	
C[C@H]1CN(C)CCN1[C@H](C)C(=O)NN	235649102	FFPCYPIYPVKRJM-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2O[C@@H]3OC(=O)[C@H]1[C@H]3[C@@H]2Cl	306295346	HVZSFHUHGUBNBY-HEBIHEPBSA-N	218.592	-0.178	50	10	BBGE	
O=S1(=O)NCCN1CCBr	307036354	XBYOUXYNQBCFRI-UHFFFAOYSA-N	229.099	-0.469	50	10	BBGE	
Cn1cc([C@H]2CCCN2CC(=O)NN)cn1	309722652	CENIFPJHJGAHSW-SECBINFHSA-N	223.280	-0.453	50	10	BBGE	
C[C@H]1OCCN(Cc2ccccc2B(O)O)[C@@H]1C	380296084	HFYHXYZMBAEPHY-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
CC[C@@H](C)[C@@H](CNC(=O)C(=O)NN)OC	381200694	MKZUYTXQZNNMRX-RNFRBKRXSA-N	217.269	-0.846	50	10	BBGE	
CCS[C@H]1CCCN(C(=O)C(=O)NN)C1	383580248	VVLUMRPIBVNHFJ-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
Cc1cnn(Cc2nc(C(=O)NN)co2)c(=O)c1	386746032	FROZHQBHASYOAD-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CN1CCN(Cc2nc(C(=O)NN)co2)C1=O	386798587	NZGOIIBAOYMSRR-UHFFFAOYSA-N	239.235	-0.855	50	10	BBGE	
CC(C)S(=O)(=O)CCN1CC(=O)OC(=O)C1	390633657	JDKBQXCRNKJVHQ-UHFFFAOYSA-N	249.288	-0.805	50	10	BBGE	
COC[C@H](O)CN(C)CCC(C)(C)C(=O)NN	395601136	CCWGBXUNLDSYNB-SECBINFHSA-N	247.339	-0.668	50	10	BBGE	
CC(C)(C)[C@@H](Sc1nncn1N)C(=O)NN	395690598	XFSWKCAVBVXXGF-YFKPBYRVSA-N	244.324	-0.511	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C(=O)NN	403409999	KHZPKRRELVXAJA-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	405038729	YDHQXGSDFOEZCM-POYBYMJQSA-N	220.037	-0.644	50	10	BBGE	
COc1cccc(O)c1C(=O)NNC(N)=O	405196338	AOESJYLZOUFSNA-UHFFFAOYSA-N	225.204	-0.286	50	10	BBGE	
CS(=O)(=O)N1CCN2C[C@@H](Cl)C[C@@H]2C1	405262203	JRVFZZIULWUILP-JGVFFNPUSA-N	238.740	-0.057	50	10	BBGE	
CCOC(=O)C[C@H](O)C(=O)NN(C)C(=O)OC	496786186	PNCMXXYZXVDDLD-LURJTMIESA-N	248.235	-0.970	50	10	BBGE	
CNNC(=O)[C-]1C(Br)=C=NN1C	642841944	WYUKBINVNNFMNU-UHFFFAOYSA-N	232.061	-0.422	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C(=O)O1	689042182	JFOWIHURNKFHHK-UHFFFAOYSA-N	215.253	-0.013	50	10	BBGE	
CCN(CC)C1CN(C[C@H](C)C(=O)NN)C1	697807677	VEMGLPMJQYJGEZ-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c[nH]nc2c1	700876591	JAJMARRHNGJUAF-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1CCCCC(=O)NN	707345355	BZEVZXCWVNBNNE-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC(C)[C@@]1(O)CCCN(CC(=O)NN)C1	710187671	BLROEJFLLLCRFL-SNVBAGLBSA-N	215.297	-0.541	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)c1cn(C)nn1	717318706	AAHFTTKFLSPECU-SSDOTTSWSA-N	245.714	-0.286	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncccn1	718907759	AHXPNHAXWCYJJH-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
Cc1conc1C(=O)Nc1cccc(B(O)O)n1	720532018	SJYOQFXTXIISDG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H]1C(N)=O	757146088	MTGZKBXMJGSFFZ-PHDIDXHHSA-N	204.657	-0.053	50	10	BBGE	
CCOCC(=O)NNC(=O)N[C@@H](C)COCC	779675107	SXDDYCUITLGWDF-QMMMGPOBSA-N	247.295	-0.222	50	10	BBGE	
CCC(=O)NNC(=O)Nc1cn(C)nc1OC	789320386	IZZICCQSYCYHTG-UHFFFAOYSA-N	241.251	-0.009	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)nn1	855188241	DQSZQAKRNWRDPO-BQBZGAKWSA-N	249.274	-0.378	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncon1	1134614846	PWRXMOBOAGFPOT-PHDIDXHHSA-N	240.219	-0.744	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C)c(C(N)=O)cn1	1135818379	OUDBLEFRGBMGCY-UHFFFAOYSA-N	236.231	-0.730	50	10	BBGE	
C#CCSCC(=O)NNC(=O)c1cc[nH]n1	1147072538	GZRIVGCZZOXVRM-UHFFFAOYSA-N	238.272	-0.463	50	10	BBGE	
Cc1cccnc1NNC(=O)Cn1ncnn1	1466888416	IODFYHXAEPXMSQ-UHFFFAOYSA-N	233.235	-0.480	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2ncon2)CCOC1	1616277324	NTZLATBNNPDMOM-VIFPVBQESA-N	240.219	-0.743	50	10	BBGE	
COC(=O)N(C)NC(=O)NCc1cn(C)nn1	1686960142	IZDALWSYQAHYST-UHFFFAOYSA-N	242.239	-0.773	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)CCBr	1880631555	ZDAGOOXEZYVYCU-RITPCOANSA-N	240.097	-0.371	50	10	BBGE	
C[C@](O)(CO)CNC(=O)[C@H]1C[C@H]1Cl	1883633720	BENHADZTSMZQBD-SHYZEUOFSA-N	207.657	-0.527	50	10	BBGE	
CC[S@@](=O)N1CC[C@](C)(B(O)O)C1	1891518064	WRYLWFZLTKNIOM-WPPNPWJKSA-N	205.088	-0.391	50	10	BBGE	
CP(C)(=O)c1cncc(C(=O)NN)c1	1892579805	GAMXZUZOFCFSMB-UHFFFAOYSA-N	213.177	-0.067	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1O)[C@H]1C[C@H]1Cl	1893451968	AHQOKMVTZRQBCX-OSMVPFSASA-N	219.668	-0.120	50	10	BBGE	
O=C1NC2(CO1)CN(C[C@@H](O)CCl)C2	1893483738	VHSYZYRIUGAPQN-LURJTMIESA-N	220.656	-0.620	50	10	BBGE	
N[C@H]1COC[C@@H]1NC(=O)C1CC(Cl)C1	1893487092	AGYGCELUWAZOPI-GHNGIAPOSA-N	218.684	-0.154	50	10	BBGE	
NNC(=O)COCCO[C@@H]1C=CCC1	1893781125	NLOZETSSGISZKA-MRVPVSSYSA-N	200.238	-0.272	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@H]2C[C@@H]2CO1	1895769091	DBDYZZBHLFFXLL-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
COc1ccn([C@@H](C)CC(=O)NN)c(=O)c1	1899441436	GNSUTDZQRHVHAV-ZETCQYMHSA-N	225.248	-0.202	50	10	BBGE	
O=Cc1ccc(N[C@@H]2C[C@@H]2F)cc1B(O)O	1901237078	DYZZLYDQMKYSAF-VHSXEESVSA-N	223.012	-0.299	50	10	BBGE	
C[C@H](CCN)C(=O)NN(C)S(=O)(=O)C1CC1	1901340809	KLYGJIJEUMWDLE-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
CC#CCN(C)c1cc(B(O)O)c(F)cn1	1903010648	RWDWTDURRMMYQK-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H]1SC	1905231568	VJDOZKFPPUUQEG-YIZRAAEISA-N	247.364	-0.183	50	10	BBGE	
CN(C)NC(=O)C1(C(=O)O)CCNCC1	1911382183	XDOAYJORNCJENP-UHFFFAOYSA-N	215.253	-0.966	50	10	BBGE	
CCCN(C[C@@H]1C[C@@H]1C(=O)NN)S(C)(=O)=O	1913828437	JCQCUXGTZOQAAP-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914870414	PTXMPASXGMWRBF-UWVGGRQHSA-N	239.323	-0.860	50	10	BBGE	
CN(CCCCC(=O)NN)CC1(CO)CC1	1915532694	HZNCZITYVZUYNK-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CN(C(N)=O)C1	1917784920	IYCFQAWEBLXHJD-BYPYZUCNSA-N	205.645	-0.507	50	10	BBGE	
O=CNNC(=O)[C@H]1CCCC12OCCO2	1923810049	AWTDCXBJCNMJKQ-SSDOTTSWSA-N	214.221	-0.693	50	10	BBGE	
CC(=O)N1CC(NC(=O)NC(=O)CCl)C1	1926319905	PSHRDHNHSLBMOO-UHFFFAOYSA-N	233.655	-0.718	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N=c1ncn(C)[nH]1	1929099955	IVERHYUAMBPEFZ-SCSAIBSYSA-N	231.643	-0.488	50	10	BBGE	
CCC[C@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930885219	GZKBCMNUEBVPQH-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCC[C@H](O)[C@H]2C1	1930983460	VXJXYDHCTXPCRH-CIUDSAMLSA-N	213.281	-0.931	50	10	BBGE	
CO[C@@H]1CN(C)C[C@@H]1NC(=O)CCl	1931647111	JJXQVWWYHZOFQN-NKWVEPMBSA-N	206.673	-0.330	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)CCC(=O)NN	1932221864	PKVOOLYCTSZKEX-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CC(F)(F)C(=O)NN)C1	1935926279	OVFQQPGVJBSPCW-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
N#CC1CCN(CCOCC(=O)NN)CC1	1936527398	ARZQDQVSSZQRFP-UHFFFAOYSA-N	226.280	-0.772	50	10	BBGE	
C[C@H]1CCC(=O)N(CCOCC(=O)NN)C1	1936529227	LCOBWALAZHQJOR-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1937985241	RONVYLIGTIEMIZ-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
COC1(CCl)CN(C(=O)Cn2cnnc2)C1	1940017815	FJDJTRMTZUYDIY-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
NNC(=O)COCCN1CCO[C@H](CCF)C1	1941772349	HZTAIXZAMSFRQK-SECBINFHSA-N	249.286	-0.947	50	10	BBGE	
CCC[C@@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1945566489	YLXXNXPSSFGVHC-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
CC1(CO)CN(Cc2nc(C(=O)NN)co2)C1	1951074968	YGTJENILPVCNCS-UHFFFAOYSA-N	240.263	-0.908	50	10	BBGE	
N#C[C@@H](O)c1ccc(S(N)(=O)=O)cc1	1951368297	UHHLQCZPXYLHQT-MRVPVSSYSA-N	212.230	-0.109	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1954501919	FZJWZICLJRFXGM-MGVQOFIGSA-N	205.641	-0.822	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)[C@H]1CCS1(=O)=O	1955089150	AZJACJGSLZZAKP-RRKCRQDMSA-N	237.708	-0.083	50	10	BBGE	
C[C@@]1(CCS(C)(=O)=O)CC(=O)OC1=O	1955557876	HOQWQKWDUZHEMD-MRVPVSSYSA-N	220.246	-0.099	50	10	BBGE	
O=C(NC1CC1)C1CN(C(=O)CCl)C1	1956532009	WVHWRVXXBFOQNU-UHFFFAOYSA-N	216.668	-0.038	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(B(O)O)cn1	1958187930	VKCBJUCUJKZYAR-OAHLLOKOSA-N	228.082	-0.755	50	10	BBGE	
CN1CCN(CCOCCCl)C[C@@H]1CO	1960158197	AFRPRRPPVVTGRA-SNVBAGLBSA-N	236.743	-0.150	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCCOCCN	1961085892	GAMWYCUVEISHCP-QMMMGPOBSA-N	235.353	-0.147	50	10	BBGE	
C[C@@H]1C[C@H]1Oc1ncc(B(O)O)cc1F	1961694348	NDHUAFMZRIDFPO-SVGQVSJJSA-N	211.001	-0.312	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@](O)(C(N)=O)C1	1962377744	RHCPTQPHMNRCHP-IMTBSYHQSA-N	234.683	-0.548	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1	1965410651	QDUSLLXHKLTFIK-LLVKDONJSA-N	229.044	-0.786	50	10	BBGE	
CC(C)OC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1976058003	IOCAVQKSJCSLPX-SCZZXKLOSA-N	227.308	-0.278	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)N1CCC1	1977121472	FHQCJLDNUNRFGE-UHFFFAOYSA-N	240.093	-0.657	50	10	BBGE	
CC12CC(CN1c1ncncc1B(O)O)C2	1981408800	FLQGOWGDMQDPDS-UHFFFAOYSA-N	219.053	-0.855	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H]2C[C@H]21	1981422616	RCPUCJKVRIDZAO-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
Cc1cc(N2CCCCO2)ncc1B(O)O	1981468426	BLLKDSLQNYLPCG-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
CN(CC1(C)COC1)c1nc(B(O)O)cs1	1981469503	UAWDAWNHFIJYFT-UHFFFAOYSA-N	242.109	-0.704	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@H]1F	1982802317	NJWRQOOCUDBGMX-CAHLUQPWSA-N	224.000	-0.942	50	10	BBGE	
CCC(C)(C)COc1ncc(B(O)O)cn1	1985595322	WUOJCMAXBQOVJO-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
CO[C@@H]1CCC[C@H](CNC(=O)C(=O)NN)C1	1985919337	KZEYNAYKYYNJSR-JGVFFNPUSA-N	229.280	-0.702	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCCc2nccn21	1986969384	HGRWKQBUBXJYHF-LURJTMIESA-N	223.236	-0.540	50	10	BBGE	
CCOCCC(=O)N[C@H]1CCC=C1B(O)O	1991326474	HEPWVRRTMXQYED-VIFPVBQESA-N	227.069	-0.370	50	10	BBGE	
NCCn1c(=O)ccn(C[C@H]2C[C@H]2Cl)c1=O	1991438892	ORHANBXSUDHQFC-HTQZYQBOSA-N	243.694	-0.404	50	10	BBGE	
CO[C@]1(CO)CCN(C(=O)/C=C/C(=O)Cl)C1	1991701542	INBRNEBOOQODJG-VMZHVLLKSA-N	247.678	-0.082	50	10	BBGE	
O=C(NCC=CB(O)O)NC1CCOCC1	1992090146	NFGUWWRXDYSITM-UHFFFAOYSA-N	228.057	-0.967	50	10	BBGE	
O=C(C[C@H]1C[C@@H]1C1CC1)NCC#CB(O)O	1992153987	UOFCJSLEKGOFEG-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C2CC2)C1)B(O)O	1992160149	SJMYDQWBZQQIKG-NSHDSACASA-N	224.113	-0.277	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC([C@H](F)CO)C1	2001910924	NJYFUEFZHPKGRL-RKDXNWHRSA-N	247.314	-0.347	50	10	BBGE	
C[C@H](CN1CCC[C@H](OCCO)C1)C(=O)NN	2003871197	ADQCRAXHBPFDJT-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
Cc1nnc(CN(C)C[C@H]2C[C@@H]2C(=O)NN)o1	2004409346	JGYYQHXUTCORRZ-SFYZADRCSA-N	239.279	-0.564	50	10	BBGE	
Cc1cnc(Sc2ccncc2B(O)O)n1C	2007857584	OREXQBQMCMYTSQ-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2008047895	TWMPDYKJPRCOCA-DOLQZWNJSA-N	241.335	-0.154	50	10	BBGE	
O=C1CN([C@@H]2CO[C@@]3(CCOC3)C2)CC(=O)O1	2009151032	UCEUDZOSJUVSQD-KWQFWETISA-N	241.243	-0.680	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ccnc(B(O)O)c1	2009675768	IZKWKAMGONUDOF-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3OC)B(O)O	2021164780	MDUKCIKDIQFFAP-PREPNJAASA-N	237.108	-0.090	50	10	BBGE	
O=C(C[C@H]1CC12CC2)N[C@@H](CB(O)O)C(=O)O	2026418413	ZOGQMSISUHAHDL-BQBZGAKWSA-N	241.052	-0.781	50	10	BBGE	
Cc1ccc(CN(C)C[C@H]2C[C@@H]2C(=O)NN)nn1	2029088782	FLCCCUQFZAKSTP-KOLCDFICSA-N	249.318	-0.157	50	10	BBGE	
CCN(C)C1CN(c2nccc(C)c2B(O)O)C1	2052470661	GWCNYRZWTJREEE-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
COC[C@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	2052473451	SNOQNVUFNACLEJ-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
Cc1nc(O[C@H]2C[C@H]3C=C[C@H]2C3)ncc1B(O)O	2052490889	HEHDYLXPWQQEKL-QXEWZRGKSA-N	246.075	-0.192	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C[C@H]1CC12CC2	2055736359	POLHNBPJWFIYAG-SSDOTTSWSA-N	244.063	-0.694	50	10	BBGE	
CCOc1ccc(B(O)O)c(C#N)c1OC	2060204128	SQVRGPIEDCWCEL-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CC1(C)CC[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2068282602	GJRKOJYBIZQCMP-MRVPVSSYSA-N	249.079	-0.469	50	10	BBGE	
CN(CC12CC(CO1)C2)c1ccc(B(O)O)cn1	2072862826	ONFQNJVBEVXQBF-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
Cc1cc(N2CC[C@H]3COC[C@@H]32)ncc1B(O)O	2077844007	LLXQHTBGTJRFNE-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1ccccc1B(O)O	2079010179	XOZFSMCUKYWLGE-SECBINFHSA-N	246.075	-0.402	50	10	BBGE	
CN1CC2(CCN2C[C@H](O)CCl)C1	2209367804	RFQAMDCCCSUCSU-MRVPVSSYSA-N	204.701	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H](F)[C@@H]1CCOC1	2212186733	KMXCJXDGWUEAKC-HLTSFMKQSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1nccc(B(O)O)c1F	2212602899	ABNGRNAIGPWMFK-SVRRBLITSA-N	224.044	-0.255	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H](O)[C@H]1CC2	2216280557	UCKJVITTWSSSBY-BBBLOLIVSA-N	241.291	-0.859	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CC2)CCCC1	2216873024	VHVRJSRSWHBBLA-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CN(CC(C)(C)CN)c1ncccc1B(O)O	2217178300	UHNHEDNRXDSYGU-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)Nc1ncc(B(O)O)cn1	2217178608	YGIJPZAWLDYVPW-RKDXNWHRSA-N	239.084	-0.882	50	10	BBGE	
Cc1cnc(NC2CC(C)(N)C2)cc1B(O)O	2217183696	NBMOCGHXOJCIEO-UHFFFAOYSA-N	235.096	-0.638	50	10	BBGE	
CC[C@H](CNc1nccc(B(O)O)c1F)OC	2217184692	RAHUUBQCQALJDC-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217184731	RFRJRXLOUCBNAF-PSASIEDQSA-N	236.080	-0.980	50	10	BBGE	
C#C[C@@H](Nc1nccc(B(O)O)c1F)C1CC1	2217185336	VPJWZHMHRKYMNT-SECBINFHSA-N	234.039	-0.276	50	10	BBGE	
CC(C)[C@H](CCO)Nc1cc(B(O)O)ccn1	2217195658	MGEKWHISWIFVPH-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Nc1cc(B(O)O)ccn1	2217195954	BCZJPFGGHYXYIR-RKDXNWHRSA-N	235.096	-0.701	50	10	BBGE	
CC1(C)C[C@@H](O)CN1c1ccc(B(O)O)cn1	2217196290	DVXGCGVOKZPVCV-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
N#Cc1ncn(CC2(C(=O)NN)CCC2)c1C#N	2222616345	SAOUIZBSZJEXDK-UHFFFAOYSA-N	244.258	-0.213	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223634944	QKNUKFHGTUPPCL-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
C[C@]1(C#N)CCN(c2nccc(B(O)O)c2F)C1	2223645440	WTLQXXAIUYNUMX-LLVKDONJSA-N	249.054	-0.360	50	10	BBGE	
Cc1cnc(NCc2ocnc2C)cc1B(O)O	2223648956	RPNIEGZVPXSHHO-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCOC[C@@H]32)nc1	2223665900	GDCTXQSYSNKWKF-AXFHLTTASA-N	248.091	-0.544	50	10	BBGE	
N[C@H]1CCCC[C@H]1CNc1cc(B(O)O)ccn1	2223671882	QUDQCUNATQIIMM-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
CC(C)=CCNC(=O)c1coc(B(O)O)c1	2243349036	DUOVAQIVKGWJQJ-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C[C@H](CCC(F)F)N(C)C(=O)C#CB(O)O	2243350152	WLVJYSVIWBANEJ-SSDOTTSWSA-N	233.023	-0.106	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2243356747	MJWIKUPRRKCXTQ-ZETCQYMHSA-N	222.053	-0.681	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNC(=O)C1(B(O)O)CC1	2243364743	BOECEACATUTXPD-SFYZADRCSA-N	229.085	-0.483	50	10	BBGE	
C=C1CN(C(=O)c2scc(C)c2B(O)O)C1	2243378000	KYPISBUVDWLNDJ-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
CNCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2243383242	WFIADOWXNCRLNA-IUCAKERBSA-N	228.101	-0.694	50	10	BBGE	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397268	YCCQWIGNEXJCPD-YUMQZZPRSA-N	228.101	-0.517	50	10	BBGE	
COC1(CF)CN(C(=O)C2(B(O)O)CC2)C1	2243397842	KCHOJWGROFQFSI-UHFFFAOYSA-N	231.032	-0.810	50	10	BBGE	
CC1(C)[C@H]2C[C@H]1CN(C(=O)C#CB(O)O)C2	2243400383	ABPYWWPHSZZZSI-IUCAKERBSA-N	221.065	-0.494	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@H]1CF	2243406977	IYXMQIULUULLBO-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
CC(C)=CCNC(=O)c1occc1B(O)O	2243411237	QHZBTERMDTVRIL-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243415054	NISORMVZKPGIQS-RITPCOANSA-N	240.093	-0.649	50	10	BBGE	
O=C(CCO)Nc1cc(B(O)O)ccc1Cl	2243703138	VHDAZIUQSXHQGK-UHFFFAOYSA-N	243.455	-0.659	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243752453	ISENRMGPUHFRQP-LYFYHCNISA-N	229.041	-0.829	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC(F)(F)C(=O)NN	2245130951	YZXCEFWIFLDCBU-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CCNC(=O)C#CB(O)O)OC(F)F	2245416683	JSOBZWLBEUFKBP-ZCFIWIBFSA-N	234.995	-0.864	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@]2(O)C[C@H]2C1	2246743041	MJHYASQBTCFVKD-DTHBNOIPSA-N	239.319	-0.541	50	10	BBGE	
CC(C)OC[C@@H]1CCN(C(=O)C#CB(O)O)C1	2247737386	FSAMYZSEYNEPJZ-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247747579	PIDNWSOWWAUFQK-RNLVFQAGSA-N	237.064	-0.409	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CCCC1	2247751952	FWVIHEUTFNCZDF-UHFFFAOYSA-N	237.039	-0.259	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2CC[C@H]1CN2	2247786149	WOOBWHIXVZTNQU-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
N#CC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(F)(F)F	2247790297	GPVVWWWQFURYFD-ZLUOBGJFSA-N	249.985	-0.190	50	10	BBGE	
O=C(NC[C@H](F)[C@@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2247793258	WSPBGUMALKYYHK-XAVMHZPKSA-N	245.059	-0.660	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2247793365	XITFDHNNWZPWKE-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCCOC1CCCC1)[C@@H]1C[C@H]1B(O)O	2247800685	RNEFEFSEVXXWRX-NXEZZACHSA-N	241.096	-0.075	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247806673	OIYNWZIRGYHUJZ-IUCAKERBSA-N	235.052	-0.702	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(F)c(B(O)O)c1	2247853206	HYFJHVHXRWFCPU-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CC2)C2(CCC2)C1	2247879089	QEHXSLDAQCGXJN-MRVPVSSYSA-N	238.096	-0.524	50	10	BBGE	
CN(C)CCC(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2247887642	QHFQKYJCLGUXRL-DTWKUNHWSA-N	242.128	-0.304	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891026	DUUMEIACZYWWTC-QLEHZGMVSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896678	JBEFLCMEGDDKFT-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(O)C(C)(C)CNC(=O)[C@H]1C[C@H]1B(O)O	2247897466	SOOYDWBKOGYLEO-JGVFFNPUSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]1C1(O)CC1	2247899069	KEVRSAOSNOYICO-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
CN(C)CCC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899700	PLKMYTWCBQEQLV-NXEZZACHSA-N	240.112	-0.741	50	10	BBGE	
CN(C)CCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247900011	SDOYFBRLZVQKSG-AOOOYVTPSA-N	242.128	-0.303	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247900524	XPHMCBUHOVWTGA-RGOKHQFPSA-N	241.096	-0.410	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248239177	NBNIYTJHZKVANV-FSPLSTOPSA-N	238.027	-0.505	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1cscn1	2248420266	QQRRSWSCXSJFRX-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)(CCNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248573480	FKXUSRSVULWQAW-BQBZGAKWSA-N	243.068	-0.534	50	10	BBGE	
CC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)(C(=O)O)C1	2248593467	NJIVTPUAIZVOOJ-IUBIVETDSA-N	241.052	-0.781	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2253336427	YNWIZQPLFLXNJB-RRKCRQDMSA-N	248.038	-0.956	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1ccoc1B(O)O	2255460971	AODMDDFJLHSEFM-OYNCUSHFSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccoc1B(O)O	2255464063	QVWPRHBONXBFGU-OYNCUSHFSA-N	247.059	-0.346	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2255466335	XFYWBSWFNYHXHS-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
CCC=CCNC(=O)c1nc(C)ccc1B(O)O	2255486351	ZHFRDJMIWUTDMK-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccc(B(O)O)cn2)[C@H]1C	2255516236	JKERRJOSAUBUPF-YUMQZZPRSA-N	248.091	-0.607	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1cc(B(O)O)n[nH]1	2255552677	OHKHOCUUPPJPEM-SSDOTTSWSA-N	249.079	-0.991	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)[C@H]1C[C@H](B(O)O)C1	2255564950	RUMIZDFBWFZZEE-SAFGRZSRSA-N	247.103	-0.134	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1[C@H]2C=CC[C@H]1CC2	2255569038	SCMAALXBUXEYLA-YUMQZZPRSA-N	247.063	-0.977	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1nccc(C)c1B(O)O	2255574390	ADVQVWQPJZGKSQ-MRVPVSSYSA-N	246.075	-0.931	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2CCC1CC2	2255675803	HCLFRVSIRDJKBD-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1[C@H]2CC[C@H]12	2255683491	XOEOYXYUNLFIJC-QWRGUYRKSA-N	245.087	-0.187	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1ccccn1	2255685774	GNMGSDVHUGFRFR-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ncccc1B(O)O	2255689391	KJEHAMNZGJSOCZ-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
O=C(N[C@@H](CO)c1ccccc1)C1(B(O)O)CC1	2255742718	BWEKPSVEBILAHM-JTQLQIEISA-N	249.075	-0.157	50	10	BBGE	
CC#CCC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2256672711	LZURHNRWQBMOMG-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cocc1B(O)O	2258135384	RHFSYAYEWPXTHP-WCTZXXKLSA-N	247.059	-0.656	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2C[C@@H]2CN)CC1	2299278444	JMYAHTPXOSDSGA-VHSXEESVSA-N	237.303	-0.152	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299935623	YFHZSMNWUMODJI-REIXXSIJSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@]1(CO)C2	2299946748	YMGNQCBFQHGJSA-REIXXSIJSA-N	239.080	-0.777	50	10	BBGE	
CC(=O)NC1CN([C@@H](C)CCCC(=O)NN)C1	2302023355	OIZZPXBUBDPIRZ-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Nc1ccc(B(O)O)cn1)CO2	2315935522	LEJGKZQZUHGJMA-PTOFAABTSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(B(O)O)cc2C#N)CO1	2317206854	QFSHYPXRJQGPQE-LDYMZIIASA-N	247.059	-0.206	50	10	BBGE	
NNC(=O)c1cnc2ccccn2c1=O	37389411	BCSGXKLTHQJFCK-UHFFFAOYSA-N	204.189	-0.702	50	10	BBGE	
CCCCN(CCO)CCCC(=O)NN	82469732	YHZPRKFRZPGTQG-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
COCCN(C1CC1)[C@H](C)C(=O)NN	82470007	UUJWTGSSLWQDDR-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	82471425	QOZMYPWQPNATFQ-RXMQYKEDSA-N	228.212	-0.627	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCCN1C)C(=O)NN	86190406	BZKDQTJYGRPZPC-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@@H](C)CCC(=O)NN	104115361	IQMGURLBHJSNDF-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
CN(C)NC(=O)c1cccc(/C(N)=N/O)c1	149703510	SCKJHFZLTZQFJZ-UHFFFAOYSA-N	222.248	-0.013	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CCO)C1	159981148	AHWWMSUJZHXVTA-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CCl)S(=O)(=O)c1nnnn1C	162601857	FJUIUBJVTBAHHE-BYPYZUCNSA-N	224.673	-0.389	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2)C[C@@H](C)N1	200713938	DGNKLJFGFIGSLE-AOOOYVTPSA-N	234.108	-0.447	50	10	BBGE	
COC[C@@H](Oc1ccc(C)nc1)C(=O)NN	232418258	JAODIPCCRWFDMQ-SECBINFHSA-N	225.248	-0.226	50	10	BBGE	
NCCN1CCN(C(=O)NCCCl)CC1	243180877	JWBFYDGTOIQLLN-UHFFFAOYSA-N	234.731	-0.489	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CC(=O)NN)CC2	252635089	FMDUKUFNAPVZRL-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
CN(N)C(=O)C[C@H](N)C1CCOCC1	259124121	RXOXBYVAXSBAFB-QMMMGPOBSA-N	201.270	-0.538	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](CC)C(=O)OC	276765423	GQDZLJGGIJPGJN-SSDOTTSWSA-N	245.279	-0.122	50	10	BBGE	
CC[C@H]1COCCN1[C@H](COC)C(=O)NN	299995214	HCQSHNIYQGPEJS-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
NNc1cccc(CCl)c1B(O)O	306591254	YJFJGKATFAGFFB-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
CC[C@@H](CO)N(C)CCCCC(=O)NN	379005305	FFXSYLRURUHTTM-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@H]1CN2CCN1CC2	394760686	SMVLWRJAQSSTGK-UWVGGRQHSA-N	245.754	-0.023	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1/C=C\C(=O)O	396135164	WFWVAFJKHCYYEO-XQRVVYSFSA-N	245.043	-0.080	50	10	BBGE	
CC[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396489278	LZRKVILHLYKXKH-ZJUUUORDSA-N	209.054	-0.863	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1C[C@@H]2C[C@H]2C1	404970300	OKFZIXVLHKOBHA-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
O=C1N[C@@H](C(=O)NNC(=O)c2ccccc2)CO1	495793738	OWJXCNXGVHKQNK-MRVPVSSYSA-N	249.226	-0.444	50	10	BBGE	
CS(=O)(=O)C[C@@H](Br)CN	675056531	MHJDMSQEQCYPIW-BYPYZUCNSA-N	216.100	-0.247	50	10	BBGE	
CNC(=O)[C@H](C)N1CCC(O)(C#N)CC1	692119993	HIRILHWDHJPLHY-QMMMGPOBSA-N	211.265	-0.529	50	10	BBGE	
COc1c(N)ncnc1N1CCC(O)(C#N)CC1	692153126	TWNMKBAALCYNPR-UHFFFAOYSA-N	249.274	-0.078	50	10	BBGE	
Cc1nn(C[C@@H]2CCN(C)C2)c(C)c1B(O)O	694271564	UFELRZJBOPTAEV-SNVBAGLBSA-N	237.112	-0.869	50	10	BBGE	
C[C@H](CN1CCO[C@@H](CCF)C1)C(=O)NN	700559101	CARDEXMEFIWVPW-BDAKNGLRSA-N	233.287	-0.327	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccsn1	705461325	PAQCZQYVKAZUID-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCOC[C@@H]1CN([C@H](C)C(=O)NN)CCO1	705878389	OHCQXEGPAWGSRI-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(n2cncn2)C1	707495789	GIKQIASXMUFVQB-UHFFFAOYSA-N	243.654	-0.390	50	10	BBGE	
CN(C)C[C@@H](Cl)CNCCn1cnnn1	712537532	FWNWCAKRYKQJEV-QMMMGPOBSA-N	232.719	-0.568	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3C[C@@H]3C2=O)on1	715703125	PBCGMDWYOJUQRD-VDTYLAMSSA-N	236.231	-0.744	50	10	BBGE	
COC[C@](C)(CCl)NC(=O)c1nnn(C)n1	716840160	PDMRCXRLGFSBFE-QMMMGPOBSA-N	247.686	-0.416	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	780907011	IGYVWQDXSMABBL-XVMARJQXSA-N	213.237	-0.628	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H](O)C1CCC1	825438495	URFTVWQERBFWCJ-QMMMGPOBSA-N	229.280	-0.112	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](C(=O)O)C1CC1	852942045	CZCKQKMHIKRHBR-ZETCQYMHSA-N	243.263	-0.210	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@H]1CCNC1=O	900393560	LGAYGLCSDGSWRC-SSDOTTSWSA-N	242.279	-0.747	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1cncn1C	1292131277	RZVMTTLNSYWKKP-UHFFFAOYSA-N	225.252	-0.687	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccnc2[nH]nnc12	1292259614	ZKIJPLQDAJBSBP-UHFFFAOYSA-N	249.234	-0.731	50	10	BBGE	
Cc1nn(C)cc1C(=O)NNc1cnnn1C	1306847903	DIHXDMAQGSNULW-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
Cc1ccccc1CC(=O)NNC(=O)C(N)=O	1348944979	RRQKXMVAFSFXKC-UHFFFAOYSA-N	235.243	-0.830	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(=O)c2ncon2)CO1	1536938186	STIAALQCJANWOU-WDSKDSINSA-N	240.219	-0.744	50	10	BBGE	
OC1CNC(=NC[C@@H]2C[C@@H]2Cl)NC1	1883554478	UUSXZLOHRNUAPN-FSPLSTOPSA-N	203.673	-0.477	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)c1nn[nH]n1	1883565402	BQOAJCUSPMMMPV-DMTCNVIQSA-N	201.617	-0.443	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CC(O)(CO)C1	1885938870	RCDHZXDFZUKFDQ-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](CO[C@H]1CCN(C)C1)C(=O)NN	1888720775	GCEFLJWWXHEPAC-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
Nc1[nH]nnc1C(=O)NC[C@H]1C[C@H]1Cl	1893088917	PIIQWAQZUPTLNC-QWWZWVQMSA-N	215.644	-0.256	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2Cl)C(=O)C1=O	1893097186	AJNHNRAOVZZVSV-BQBZGAKWSA-N	216.668	-0.086	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)C1CC(Cl)C1	1893474624	LBNMCOXIRUAKHA-FACXLHOTSA-N	221.684	-0.138	50	10	BBGE	
CN(NC(=O)N1CCCC(=O)C1)S(C)(=O)=O	1901338714	BNFJSOWFMHDMGR-UHFFFAOYSA-N	249.292	-0.833	50	10	BBGE	
CN(NC(=O)[C@H]1CCC[C@@]1(C)N)S(C)(=O)=O	1901343792	GMHXINMIQRORSV-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C=CC[C@@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901357448	LHSATMIMUZNBFK-MRVPVSSYSA-N	247.320	-0.655	50	10	BBGE	
CC[C@@](C)(CSc1nnnn1C)C(=O)NN	1902716131	OIRVSFYRFXFJIR-QMMMGPOBSA-N	244.324	-0.292	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N(C)[C@@H](C)C1	1926006805	SSCALQRURXDNOL-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CCO[C@H]1C[C@H](N2CC(=O)OC(=O)C2)C1	1928233203	ZTCMACDOVZNTAI-ZKCHVHJHSA-N	213.233	-0.061	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2C[C@@H](CCl)C2)n1	1928500405	IQSLUYJPHUHUFB-OLQVQODUSA-N	229.671	-0.043	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1COC[C@H]1CO	1928736305	UERWNLPGKSFXLA-FSDSQADBSA-N	207.657	-0.263	50	10	BBGE	
CCCc1nnsc1C(=O)NNCCO	1929839206	ZKGADSVKVLXVFV-UHFFFAOYSA-N	230.293	-0.283	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@H]1F	1932370406	AKKAYGXDMPBQRS-JGVFFNPUSA-N	219.260	-0.717	50	10	BBGE	
Cc1csnc1CNC(=O)C(=O)NN	1932815617	JNDHMFCWMGFFKG-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
CCn1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936088920	ABJUDZLTWOAVRS-JGVFFNPUSA-N	224.264	-0.704	50	10	BBGE	
CON(C)C1CN([C@H](C)CCC(=O)NN)C1	1936112287	XFEVRXGFGHWRNS-MRVPVSSYSA-N	230.312	-0.678	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1F	1937151554	ATHQLOIAJJBQMT-JQCXWYLXSA-N	231.271	-0.719	50	10	BBGE	
C[C@@]1(CO)CCN1CCCCCC(=O)NN	1938799548	PYSQMTUSDCKODG-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)c1cncc(CN2CCOC2=O)c1	1940565271	NWEPWOBVLXWVPI-UHFFFAOYSA-N	236.231	-0.363	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@H]2C(=O)NN)nc1[N+](=O)[O-]	1941085745	FRDSJAUUWHKZBW-NKWVEPMBSA-N	239.235	-0.274	50	10	BBGE	
COC[C@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)OC	1941094983	QLZKHLWZEUXDHF-LPEHRKFASA-N	245.323	-0.794	50	10	BBGE	
C[C@@H]1CN(C)CCCN1CCOCC(=O)NN	1941784913	WYZQAQGTUPTWLN-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944741928	QCANFDLQIOUZLD-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
COC[C@H]1CN(CC2(C(=O)NN)CC2)CCO1	1945883540	AWFYDBWCASEDJQ-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
CO[C@@H](CCS(C)(=O)=O)C[C@@H](O)C#N	1951418090	AEFSOERTJPCUQS-SFYZADRCSA-N	221.278	-0.289	50	10	BBGE	
C[C@H](C1CC(=O)OC(=O)C1)S(C)(=O)=O	1951606756	CJOUUOFFXNVTAY-RXMQYKEDSA-N	220.246	-0.101	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@H](O)CCl	1954822842	VPQMNAARNUYRRY-SSDOTTSWSA-N	208.689	-0.394	50	10	BBGE	
C[C@H](Sc1ncncc1N)C(=O)NN	1955176625	HMKCZPJRBKCDNX-BYPYZUCNSA-N	213.266	-0.471	50	10	BBGE	
O=C(OCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955547980	FDFLHVWBPBNLAA-ZTYPAOSTSA-N	221.640	-0.255	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]1CN(C)C	1955569461	NPKGSEPKOJNIBZ-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
CNC(=O)CN(CCCl)CC(=O)NC	1956261080	VGBKBEQOQFMVKY-UHFFFAOYSA-N	221.688	-0.981	50	10	BBGE	
C[C@H](C(=O)NN)N1CCP(C)(=O)CC1	1956891787	ORVLOUOTWQZNIK-SSDOTTSWSA-N	219.225	-0.327	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1ncns1	1956927192	YPQLSMUAIHKGTG-RXMQYKEDSA-N	215.282	-0.999	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)OCCl	1957280411	KAGBAHBROLLNGD-FMCRUOTFSA-N	239.680	-0.048	50	10	BBGE	
O=C(CCCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1958775758	WBTALRBPQQNYAP-KKHAAJSZSA-N	233.695	-0.042	50	10	BBGE	
Cc1ccc(=O)n(CCCC(=O)NN)c1	1961471693	DNTVEZBIDCYJTE-UHFFFAOYSA-N	209.249	-0.073	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]2CC[C@@H]21	1961655589	WWHQHQSTVUUUCC-BIIVOSGPSA-N	211.265	-0.329	50	10	BBGE	
OB(O)c1cccnc1S[C@H]1CCOC1	1961706881	AOCVKJGKYLMCRT-ZETCQYMHSA-N	225.078	-0.358	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H](C1)C2O	1961773631	GBLJPMNITZYPCG-JWHQNHQBSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCC(=O)NN	1962139252	WSSUEPBHHHMGNV-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217673	WHTXFUBSAUOJAR-UTINFBMNSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ncncc1B(O)O	1981409132	JJRPLAHIPOQKCU-BQBZGAKWSA-N	225.032	-0.907	50	10	BBGE	
CN(CCC1CC1)c1ncncc1B(O)O	1981413474	HCOUTZLSSUNYFS-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cncnc1OCCC1CCC1	1981422645	RQSSBVJYQBQSME-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2C[C@H]2C)n1	1981531037	SVJYLZBIAVBCLF-HZGVNTEJSA-N	221.069	-0.691	50	10	BBGE	
C[C@@H]1COCC(=O)N1CC1(C(=O)NN)CC1	1982045604	ZNSXVOFIJGLXGZ-SSDOTTSWSA-N	227.264	-0.996	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982259882	DYVXBQJDIJXCQI-DOLQZWNJSA-N	227.308	-0.563	50	10	BBGE	
COC[C@@]1(F)CCN(CCCC(=O)NN)C1	1984645578	MPVVGAWEZSFLLZ-SNVBAGLBSA-N	233.287	-0.183	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)NNC(N)=O)C12CCC2	1988761490	NOPZWSLFYHAYMF-NKWVEPMBSA-N	227.264	-0.109	50	10	BBGE	
C=C[C@@]1(O)CCN(CCCCC(=O)NN)C1	1990540073	PEBARCKJQODCMY-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
NCC1(O)CCN(C(=O)/C=C/C(=O)Cl)CC1	1991703191	DOYIPHQSTPUNBR-OWOJBTEDSA-N	246.694	-0.380	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@]12CC[C@@H](CO1)C2	1993696080	IHYZOXQHEBTMCJ-PJKMHFRUSA-N	227.264	-0.950	50	10	BBGE	
Cc1ccnc(N2C[C@H]3CC[C@@H]3C2)c1B(O)O	2004918080	HEPGUEYYLKQFBF-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2CCCO2)n1	2004931490	LBASKHKXTVBKBS-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
Cc1cnc(N2CCOC[C@@H]2C)c(B(O)O)c1	2005017402	DTDYDIZFQNIZFI-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)nc1	2005807563	LTCQGKUOGIYWPC-MIBSWOBISA-N	231.064	-0.999	50	10	BBGE	
CN(C)CCCOCc1cc(C(=O)NN)no1	2007030845	IHGLHXFZSOJYRR-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@@]2(CO)C1	2021658369	ZXLBQASYOQUFJO-APPZFPTMSA-N	249.261	-0.684	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)c1ccccc1	2040768948	LOLKFZVADJVPTE-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CN1CCN(Cc2cccc(B(O)O)c2)[C@H]2C[C@@H]21	2049378642	FCVIFXUWZKNAFN-STQMWFEESA-N	246.119	-0.745	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C[C@H]1C[C@H]1C(=O)NN	2049571671	UWTGJZLEKLTAEE-NQMVMOMDSA-N	249.318	-0.077	50	10	BBGE	
Cc1ncnc(N(C)Cc2ccco2)c1B(O)O	2052553807	MEEDRPITFMMUBG-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCC[C@H]3C2)ncc1B(O)O	2052556325	LUAKIKARHFZWGS-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2[C@@H](C)[C@@H]2C)n1	2052626865	GLOOCFMTXYPQEV-YUMQZZPRSA-N	249.123	-0.197	50	10	BBGE	
CN(Cc1ccccc1B(O)O)[C@]1(C)CCOC1	2055449836	UVXNJJIBVIHUHP-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CCOc1cc(C#N)c(C)cc1B(O)O	2060205258	UUGPPNJAWSPLDI-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC[C@@H]3C[C@@H]23)n1	2071009963	IHROKLZUUVRJQV-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
N#Cc1ccc(C(=O)NCC=CB(O)O)c(F)c1	2076085121	QETSLZCCTANRKG-UHFFFAOYSA-N	248.022	-0.005	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@@H]2C2CC2)ncc1B(O)O	2079936231	VORWBMLBBLHDKR-NXEZZACHSA-N	248.091	-0.110	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1Cc2ncnc(O)c2C1	2085233911	AUOGIORNAOXDSQ-BQBZGAKWSA-N	249.274	-0.876	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](OC(F)(F)F)C1	2212389709	RAEXMAKJGSUSIG-BYPYZUCNSA-N	241.169	-0.886	50	10	BBGE	
C#CCCCOc1cc(B(O)O)c(C)cn1	2212601054	HYGLJAXYMKWGQU-UHFFFAOYSA-N	219.049	-0.138	50	10	BBGE	
C=CC[C@@H]1CCN1c1ncc(B(O)O)cn1	2212601490	ORBUJOXPVMMMSQ-SECBINFHSA-N	219.053	-0.689	50	10	BBGE	
C#CC[C@@H](COC)Nc1cc(B(O)O)ccn1	2217178475	WKMWGTSECHDXON-JTQLQIEISA-N	234.064	-0.788	50	10	BBGE	
CO[C@@H]1C=C[C@H](Nc2cc(B(O)O)ccn2)C1	2217197712	PXYVDNKGVKCWPO-VHSXEESVSA-N	234.064	-0.483	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCCC[C@@H]21	2217329039	DOZZCNAWQQCCBG-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CCc1nocc1CNc1cc(B(O)O)ccn1	2223629672	WKGULLGOJDRPEG-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Cn1cccc(Oc2ccc(B(O)O)cn2)c1=O	2223646171	HILQVKIAPVFPTA-UHFFFAOYSA-N	246.031	-0.748	50	10	BBGE	
CC12COC(CNc3ccc(B(O)O)cn3)(C1)C2	2223666420	IOFNAEDHCOFRMM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
CCCN1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223674522	QGNFPXXGGINSNQ-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ncccn1	2223675651	YFDUQTJKZFFDDE-ZETCQYMHSA-N	245.051	-0.881	50	10	BBGE	
C[C@H](CCO)NS(=O)(=O)N1CC(Cl)C1	2241353411	GKNUFUUIEBBVIR-ZCFIWIBFSA-N	242.728	-0.485	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC=C[C@@]1(C)CO	2242609485	UPQWCBNJGGPITD-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
CCOCCNC(=O)c1ccc(B(O)O)s1	2243349904	SGJZNAQXMXQNEI-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)C1(C)C	2243350076	VEQGXLANRDXEDT-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
O=C(C#CB(O)O)NCC1[C@@H]2CCCC[C@@H]12	2243356729	MEAUNGRKZIEQHS-RKDXNWHRSA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CN	2243365295	KRRGJENTQCOQMP-YUMQZZPRSA-N	226.085	-0.953	50	10	BBGE	
C#C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2243381590	HALFXUXYSOVQQH-GUBZILKMSA-N	221.065	-0.233	50	10	BBGE	
CC[C@H](O)[C@H](CC)NC(=O)[C@H]1C[C@@H]1B(O)O	2243391382	KBLXVNDJZCSQEB-JBDRJPRFSA-N	229.085	-0.485	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1B(O)O	2243392473	UMHSNOMKKGAOPQ-BQBZGAKWSA-N	223.041	-0.172	50	10	BBGE	
CN(Cc1cnco1)C(=O)[C@H]1C[C@@H]1B(O)O	2243396938	SPZXSHQZLVUCBP-YUMQZZPRSA-N	224.025	-0.504	50	10	BBGE	
O=C1CCCN1C(=O)c1sccc1B(O)O	2243406971	ISLTVTPOMWIIJU-UHFFFAOYSA-N	239.061	-0.810	50	10	BBGE	
C[C@H]1C[C@@H](CN)CN1C(=O)C1(B(O)O)CC1	2243408338	LJVLHVHNBNLLNF-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1sccc1B(O)O	2243408871	WTUAIZSDLYRHTI-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
O=C(NCCF)c1cc(Cl)cc(B(O)O)c1	2243411770	ZUOBWPZDBNXYOJ-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
CCN(O)C(=O)c1ccc(Cl)c(B(O)O)c1	2243412923	WHDVLAFGBUDMFL-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C	2243420478	UBGFXOQHEHRLMM-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2244211959	KOKBYNBTYLESQY-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
O=C(NCCC#CB(O)O)N[C@H]1C=CCC1	2244539004	CMATVYWIKMMIQG-VIFPVBQESA-N	222.053	-0.590	50	10	BBGE	
N#Cc1cc(F)ccc1NC(=O)C#CB(O)O	2247739963	DLSSIGDCIPUDDS-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
CCOCCCNC(=O)c1ccc(B(O)O)o1	2247742154	LDZAHNVEWVDGAE-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NC(C)C	2247759894	YJQCNDMZNXONHM-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)c(C)c2)C1	2247760856	OUUMWESWVXSZBD-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2C[C@H]2F)c1B(O)O	2247761368	UMNBMPWGTHLZPN-BDAKNGLRSA-N	237.039	-0.485	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247781607	MPXAKOSGQILSNA-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2247786165	WTPWSFXTMNAMRE-NPLQXLRFSA-N	239.080	-0.752	50	10	BBGE	
C#CCNC(=O)c1cc(C)c(B(O)O)c(C)c1	2247787970	XFNBGHBUELWLNK-UHFFFAOYSA-N	231.060	-0.654	50	10	BBGE	
CC(C)CC1(O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247799106	ZUOFARAJIGHXGD-DTWKUNHWSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C(=O)[C@@H]1C	2247809485	PLLOPCGCBMFPBK-KZVJFYERSA-N	239.080	-0.120	50	10	BBGE	
CN(CCCF)C(=O)c1ncccc1B(O)O	2247869794	YQYBRRIWDOUJPQ-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
CC1(C)OCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247899267	LYLLQIXGJOWSBH-HRDYMLBCSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1cocc1B(O)O	2249408146	DWZSJJZAIJICNM-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cc(B(O)O)co1	2249411765	SXUYUZIJVSCTMM-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
CC=CC(=O)NCc1ccc(B(O)O)c(C)c1	2251318099	AEUAHASMBLHWHO-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1cc(B(O)O)c[nH]1	2255461244	FAYLHKRZGZKZHW-RKDXNWHRSA-N	248.091	-0.530	50	10	BBGE	
Cc1n[nH]c(C)c1CCCNC(=O)C#CB(O)O	2255476786	PUHHQABLFKPWJM-UHFFFAOYSA-N	249.079	-0.909	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1nc(C)ccc1B(O)O	2255486963	IICCKNOROXUDSU-SCZZXKLOSA-N	248.091	-0.402	50	10	BBGE	
Cc1ccc(C(=O)NOCC2CC2)cc1B(O)O	2255515162	UCQBRUHTZDAMQT-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
C[C@@H](c1ccc(O)cc1)N(C)C(=O)C#CB(O)O	2255668604	BUMVTLHHVYICIA-VIFPVBQESA-N	247.059	-0.073	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1cc(B(O)O)c[nH]1	2255673016	NLWROMKWILAWJG-FKTZTGRPSA-N	248.091	-0.387	50	10	BBGE	
O=C(N1CCn2nccc2C1)C1(B(O)O)CCC1	2255737326	CLNDOAXRZUYDPZ-UHFFFAOYSA-N	249.079	-0.378	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C=C[C@H]1C2	2298165313	QRZOBVCIDNBYFA-DOLQZWNJSA-N	235.287	-0.211	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2O)[C@@H]1C[C@H]1B(O)O	2298371706	SJMDQJHFLPVMBY-NSTDSTDXSA-N	239.080	-0.875	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1C[C@H]2C=C[C@@H]1C2	2298374875	BCSRJRSSKXDTPU-JGVFFNPUSA-N	249.100	-0.172	50	10	BBGE	
COC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298374909	SJVUQKYYSUXDCE-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1CN[C@H]2CCC[C@H]21)[C@H]1C[C@H]1B(O)O	2298377224	ISZYQPWNPBUHMW-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1CCOCC(=O)NN	2300042286	OLBHEMLDROTMDE-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@@H]2C[C@H]1CO2	2300382989	BRTAZVVTKXIQQH-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
CC12CC(C1)[C@H](Cn1ccc(B(O)O)n1)CO2	2300551919	ADTSYSYJYIXMPY-INWMGODYSA-N	236.080	-0.622	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C[C@H](N)C1	2301340261	BUHOMIWEFFANPR-MGCOHNPYSA-N	232.048	-0.893	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2302020070	KVVSRGFXOLOHQD-GUDRVLHUSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@@H]3C[C@@H]3CO2)c1	2310172057	VUIDIKPPJCDZIP-YGOYTEALSA-N	249.075	-0.435	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2c1ncccc1B(O)O	2312615085	ZUVFBUVGRRXRFR-ATZCPNFKSA-N	247.107	-0.923	50	10	BBGE	
CCOCCC(=O)NNC(=S)NC(=O)CC	14663491	WXDWSCTXMKGKKJ-UHFFFAOYSA-N	247.320	-0.155	50	10	BBGE	
Cc1cc(=O)[nH]c(SCCCC(=O)NN)n1	45951964	UINUPGILFYNSDX-UHFFFAOYSA-N	242.304	-0.059	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]2CCCC[C@@H]21	82470619	UIUQWDVYDWVASF-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
CNC[C@H]1CCCN([C@@H](C)C(=O)NN)C1	82471260	WBLZRXQAOCYZOQ-DTWKUNHWSA-N	214.313	-0.704	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCOC1=O	82471321	FPFRBRJBYZKZIC-UHFFFAOYSA-N	225.204	-0.165	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC1CC(O)C1	84453510	LVCOHCTWRYYBBN-RTBKNWGFSA-N	229.324	-0.296	50	10	BBGE	
COCCN(C)[C@H](C)[C@@H](C)C(=O)NN	86313627	OIACNUCRLJNEAT-HTQZYQBOSA-N	203.286	-0.421	50	10	BBGE	
NC(=O)[C@H]1COCCN1C(=O)CCCCl	129319544	QJNFKJCPFBLXAZ-SSDOTTSWSA-N	234.683	-0.282	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)NC(=O)[C@H](C)Cl	135314246	ZKBFYYRNYYGVIG-WHFBIAKZSA-N	235.671	-0.297	50	10	BBGE	
COC[C@@H](Br)CNS(C)(=O)=O	136825536	ADNJPQNOACROSJ-YFKPBYRVSA-N	246.126	-0.055	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H](CO)CC(=O)O	170312640	OFTGQXASAZVRBT-NTSWFWBYSA-N	223.656	-0.187	50	10	BBGE	
N[C@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	195848240	IEFBZGWJGRMSDE-CIUDSAMLSA-N	226.085	-0.883	50	10	BBGE	
O=c1ccccn1Cc1cccc(B(O)O)c1	199002906	CRWUCUMWXUGMQA-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C[C@@H](Cl)C#N	228520087	QAHJEHSBRSUCHE-BQBZGAKWSA-N	229.667	-0.146	50	10	BBGE	
CO[C@@H]1CCCN(CCCC(=O)NN)C1	230357589	IFCCREIUQCLHSR-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
COC[C@H](Sc1nc(C)ns1)C(=O)NN	232421821	XVRDWTDVZXASFJ-YFKPBYRVSA-N	248.333	-0.056	50	10	BBGE	
OB(O)c1cccnc1-c1cscn1	238629592	PGGUCPYISGSQNC-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
CNC(=O)CS[C@@H](C)[C@H](C)C(=O)NN	300859328	UXWNXIOAHTYOIL-WDSKDSINSA-N	219.310	-0.520	50	10	BBGE	
NC(=O)CCCNC(=O)NCCCl	308403732	KCZUEVAZMRXFOF-UHFFFAOYSA-N	207.661	-0.210	50	10	BBGE	
CC(Cn1nc(N)sc1=N)=NNC(N)=O	309125337	PLIHRKZGKGPROT-UHFFFAOYSA-N	229.269	-0.950	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCC(O)(C(N)=O)CC1	309208138	NAFUSBHMYANBBQ-ZETCQYMHSA-N	248.710	-0.300	50	10	BBGE	
CCN(CCOCCO)[C@H](C)CCC(=O)NN	310210293	FSDFCOPCIITRJW-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCCC(=O)NN	384859175	IKZGDKURZMBXIH-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CCCC(=O)NN	384884423	JGKFIVJXOMPFJV-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
NC(=O)/C=C\N1CCN(CCCl)C1=O	388984556	SPFLAUPLLALICX-IWQZZHSRSA-N	217.656	-0.038	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1cnn(C)n1	389821886	KXMHUDJNHJDCCG-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
O=C(O)c1csc2ccc(O)c(B(O)O)c12	396389409	VVEARQQMGXPLEO-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCN(CCC(=O)NN)[C@H]1CCCOC1	402713627	TULQBLVOUTVRLF-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H]2C[C@@H]2C1	405010624	PPIZRDXYSJWBBI-AYMMMOKOSA-N	246.075	-0.254	50	10	BBGE	
CC(C)NC(=O)NCc1cc(B(O)O)cs1	405153870	UYAXBRJFMFOJGH-UHFFFAOYSA-N	242.109	-0.365	50	10	BBGE	
O=C1NC[C@@H](C(=O)O)C[C@@H]1Br	504224587	NZHYGHXKRGGLAR-IMJSIDKUSA-N	222.038	-0.029	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2[C@@H](C)CC(=O)NN	686193019	KDYHEJFXKKWWBT-DAWVFNFOSA-N	241.335	-0.011	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	688489696	WTSGGAOBGLHSPP-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
C[C@]1(C(=O)N2CCC(O)(C#N)CC2)CCNC1	692122549	BNGBLEXGYQTZML-NSHDSACASA-N	237.303	-0.137	50	10	BBGE	
NC(=O)NNC(=O)/C=C\c1cccnc1	700876618	JQDZFBWEQCRLNA-ARJAWSKDSA-N	206.205	-0.206	50	10	BBGE	
CCn1nnc2cc(C(=O)NCB(O)O)ccc21	702031791	FNAXJMRZWCXOQQ-UHFFFAOYSA-N	248.051	-0.807	50	10	BBGE	
COC(C)(C)CCn1nc(C)c(B(O)O)c1C	703666649	LSTNXGZGWFJLIB-UHFFFAOYSA-N	240.112	-0.005	50	10	BBGE	
CNNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1	704676174	KJZRKJRRWNKDFA-MRVPVSSYSA-N	228.296	-0.369	50	10	BBGE	
C=C[C@H](C)OCCn1cc(C(=O)NN)nn1	705979852	HZOLHTNGLUVFKF-ZETCQYMHSA-N	225.252	-0.527	50	10	BBGE	
CC(C)CN1C[C@@H](C(=O)N(C)N)CC1=O	707522600	KCQGGUSAGVDNNA-QMMMGPOBSA-N	213.281	-0.177	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@@H]1COC[C@@H]1O	708110752	GKTPWSXSRUFWMB-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C=CCNC(=O)N1Cc2cccc(B(O)O)c2C1	713271953	VYCHZBQOJXMDOY-UHFFFAOYSA-N	246.075	-0.422	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C(=O)N1C	725612022	VCOYPYQRAKXHRQ-LURJTMIESA-N	200.242	-0.878	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733813491	RTHHSPAHHVPHFR-FSDSQADBSA-N	229.305	-0.321	50	10	BBGE	
COc1ccc(NC(=O)NNC(=O)CO)nc1	758003356	NVUVLIFKNQURQK-UHFFFAOYSA-N	240.219	-0.765	50	10	BBGE	
COCC(=O)NN[C@@H](C(=O)OC)C1CC1	781592397	DSQOLTLMZDFERH-MRVPVSSYSA-N	216.237	-0.795	50	10	BBGE	
O=C(CC1CC1)NNC(=O)Cn1ccnc1	819110325	YHGSHCHZBIHWNC-UHFFFAOYSA-N	222.248	-0.169	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1COCCO1	862504025	OQNBIFWIBUTWNU-JTQLQIEISA-N	237.259	-0.330	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1	934042978	ZWDSNOKFCGQXMT-NXEZZACHSA-N	249.270	-0.194	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1	1147072482	DAOJDUUJHZZMQC-MRVPVSSYSA-N	237.263	-0.735	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNC(=O)N(C)C	1262169387	GFXBJHQHBMNTHE-UHFFFAOYSA-N	225.252	-0.112	50	10	BBGE	
O=C(NNc1ccncn1)c1cnn[nH]1	1306845727	HMAOBJRUAXLUJC-UHFFFAOYSA-N	205.181	-0.648	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccn2nccc2n1	1464487352	RQKVFVRMSBFPLM-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1ccncc1	1540409935	XSKSDTLLFUBNHT-HPOULIHZSA-N	235.243	-0.220	50	10	BBGE	
CC(=O)NNC(=O)C[C@H]1CCC(=O)NC1	1540576563	UBAIWYAUXHVHQA-SSDOTTSWSA-N	213.237	-0.930	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc(C2CC2)nc1	1583198458	VNOJCLZTYXBAFZ-UHFFFAOYSA-N	235.247	-0.072	50	10	BBGE	
NC(=O)CCC(=O)NNc1ncncc1F	1628645152	BLEKJPUCYPKILL-UHFFFAOYSA-N	227.199	-0.676	50	10	BBGE	
NC(=O)CNC[C@@H]1C[C@@H]1Br	1877372516	LSHVYDNGXZPXMJ-WHFBIAKZSA-N	207.071	-0.155	50	10	BBGE	
CNNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC	1880023656	MULBQTQECJUFPQ-SSDOTTSWSA-N	247.295	-0.223	50	10	BBGE	
Cc1nc(Br)c(B(O)O)n1C	1880392240	WMTBBIDUQGOBBI-UHFFFAOYSA-N	218.847	-0.829	50	10	BBGE	
CS(=O)(=O)CC(=O)NOCCCl	1881150558	RTLAXWAZMNWGGY-UHFFFAOYSA-N	215.658	-0.682	50	10	BBGE	
NCCCONC(=O)C=CC(=O)Cl	1883626877	MJHHYMZWZXZRAU-UHFFFAOYSA-N	206.629	-0.295	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)CCN1	1883634955	QHYLIMVSUVBNHG-PHDIDXHHSA-N	202.641	-0.428	50	10	BBGE	
CN(C)CCCN1CC[C@H](B(O)O)C1	1891491868	LGTHPHBGDXDOCM-VIFPVBQESA-N	200.091	-0.513	50	10	BBGE	
CNC1(C(N)=O)CN(C[C@@H]2C[C@@H]2Cl)C1	1893127781	KCZXMBIDCJUAPQ-BQBZGAKWSA-N	217.700	-0.627	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894667172	UPCRDIJGRMTTJW-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
O=C(CC(F)(F)F)NCC#CB(O)O	1895115043	YCOXKUZZCVPQHT-UHFFFAOYSA-N	208.932	-0.930	50	10	BBGE	
CC1(C)CN(C(=O)c2cnsc2B(O)O)C1	1900466022	ADMJDJOOORKTAY-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
C#CCOCC(=O)NN(C)S(=O)(=O)CCC	1901340707	IZACKTOLVSTJAJ-UHFFFAOYSA-N	248.304	-0.661	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc(C)c(F)c1C	1902631606	HFLJZHZRBVEGKW-ZETCQYMHSA-N	230.243	-0.184	50	10	BBGE	
CCCN(O)C(=O)c1csc(C)c1B(O)O	1902853343	HIFBMMUIAVZELI-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
CN(C)S(=O)(=O)N1CC[C@H](N=C=O)[C@H]2C[C@H]21	1902998269	UFPBQSSARYWHMW-HRDYMLBCSA-N	245.304	-0.409	50	10	BBGE	
C[C@@H](CN(C)[C@@H](C)CCO)C(=O)NN	1917043423	QPYVROBMGVRWBL-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
C#CC1(O)CN(C(=O)CCBr)C1	1917121453	GWARYOBDQAXVKO-UHFFFAOYSA-N	232.077	-0.022	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)C(F)(F)F	1923402240	BUSMMQBCSDCMRV-UHFFFAOYSA-N	238.125	-0.299	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1C1CC1	1927935131	VVWSNIBDGGFVTR-SECBINFHSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H](C#N)CN(C)CC1(C(=O)NN)CC1	1931267610	WSEMGFYYGDFIQS-QMMMGPOBSA-N	210.281	-0.152	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)cn2)CCCO1	1932492207	IHYIHRKWVJMSGW-VIFPVBQESA-N	210.042	-0.868	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1COC[C@@H]1O	1933389929	RACSPXMNLCVIEL-RITPCOANSA-N	229.685	-0.891	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]1CO	1936094440	NEKCWKLGFRXUOS-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1COCCCN1CCOCC(=O)NN	1936532604	XQOXGNXAPMDXOP-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CCON(CC)C[C@H]1CC[C@@H](C(=O)NN)O1	1937109048	WMZZSSLMLWDIMD-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)S1(=O)=O	1937870387	QEIPMYLWPARFGP-BIIVOSGPSA-N	247.320	-0.964	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CCC1=O	1941990365	XXONFGUOZGAEJD-SECBINFHSA-N	241.291	-0.545	50	10	BBGE	
CCCn1nccc1CN(C)C(=O)C(=O)NN	1945489702	PMLBAPABFPBNGT-UHFFFAOYSA-N	239.279	-0.759	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1946257238	OLORKRIXMPUVGB-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
CC1(C)[C@H](CO)CCN1CC1(C(=O)NN)CC1	1946258423	ZTEXABJWHBUWDH-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1CC2(CCN(C)CC2)C1)C(=O)NN	1947134478	CBGKPARBCDSQKE-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
C[C@]1(CO)CCN1Cc1ccoc1C(=O)NN	1947985142	FGHWCXCFEUSEEH-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CNC[C@@H](O)C2)CC1	1949631798	REVIUWKUMKMNER-MNOVXSKESA-N	235.287	-0.361	50	10	BBGE	
Oc1nc(O)nc([C@@H](O)CBr)n1	1953001122	TXJCIQTWBOJPPO-REOHCLBHSA-N	236.025	-0.289	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@H]1CO	1954216453	WTPXELVUNNTIBK-SFYZADRCSA-N	203.673	-0.617	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCc1nn[nH]n1	1954505469	GJGMTACGMYFLGZ-SCSAIBSYSA-N	203.633	-0.167	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](C)C(F)(F)C1	1955222857	NFVKXMKYHVLAFA-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
C[S@](=O)C[C@@H](NC(=O)NN)C(C)(C)C	1955279135	VSIBRAXYOHCCTB-RCNPXXIZSA-N	221.326	-0.048	50	10	BBGE	
C[C@H]1C[C@@H](CC(=O)NNC(N)=S)CO1	1955380086	JUFWVAUPXLFNTI-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
CCCOC(=O)N[C@@H](CB(O)O)C(=O)O	1958871074	VVJCZGARCNBZDS-YFKPBYRVSA-N	219.002	-0.951	50	10	BBGE	
C[C@H](CCC(=O)NN)N=[S@](C)(=O)N(C)C	1960619476	YVLWNXZVEAPJRF-MLXNANBUSA-N	236.341	-0.281	50	10	BBGE	
O=C(c1cncnc1)N1CCC(B(O)O)CC1	1971372626	LABSSGLBYBIONX-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC12CC2	1979192178	WPTITMKJMJCORG-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C[S@](C)=O)C1	1979478929	AHFFSFZYBCARMQ-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([C@H](F)CO)C1	1979549159	WHYXDALKOWGCPN-RKDXNWHRSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H](CO)SCc1c(C(=O)NN)cnn1C	1980595034	WIVJLJNHFZUKHW-LURJTMIESA-N	244.320	-0.362	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2C[C@]2(O)C1	1980981462	VUTAOHVZUGXYND-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
CC1(C)C[C@@H](Oc2nc(B(O)O)cs2)CO1	1981425495	HGHRVJIXMWKIJX-ZCFIWIBFSA-N	243.093	-0.231	50	10	BBGE	
Cc1nnc(Sc2ncccc2B(O)O)o1	1981455099	VHGXITZAKPHKAX-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
Cc1nc(-n2ccnc2C)ccc1B(O)O	1981464462	DGLPTYGMESSXSE-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@H](N(C)C(=O)C(=O)NN)[C@@]1(C)CC1(F)F	1981465378	WBYLQIBHCFCZFP-YLWLKBPMSA-N	235.234	-0.132	50	10	BBGE	
OB(O)c1csc(N2CC3(CCCO3)C2)n1	1981469773	YCGYRNBGJFQJAI-UHFFFAOYSA-N	240.093	-0.808	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@H]2CCO[C@@H]12	1983237859	DSWGEWINPBELLV-TURQNECASA-N	227.308	-0.278	50	10	BBGE	
CCCN1[C@H](C)CN(CC(=O)NN)C[C@H]1C	1987312466	KEQJPUTYEPLZFT-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCO[C@H]1C	1990775229	SUCZFISFESJYAA-IONNQARKSA-N	229.280	-0.737	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C(C)C)C1)B(O)O	1992158742	CTMMTFHNFNIGOJ-NSHDSACASA-N	226.129	-0.031	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2COC[C@@H]21	1992339360	TUAOFWBMHJBGTG-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC=CC1	1992837038	UBYARIQFPQOVOF-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
CC(C)N(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	1993892072	YMENPWBSYHRCSG-XYPYZODXSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](CO)C1(C)C	1997289092	GIJGSYCDNPYHDO-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](O)CN(C)Cc1nc(C(=O)NN)co1	1999421121	NVWXEHGHODBKPE-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[C@@H]1CO	2000985334	WSOMPXFFYMUVKH-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@@H]2CC[C@H]21	2002916307	NQDKYLGQXKHMGT-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccc2c(c1)CCO2	2003036032	VSEHANUTQPQSPE-UHFFFAOYSA-N	235.243	-0.137	50	10	BBGE	
CC[C@@H](COC)Oc1ncc(B(O)O)c(C)n1	2004933310	FXOHDWRFZYAVAG-QMMMGPOBSA-N	240.068	-0.731	50	10	BBGE	
OB(O)c1cccc(OCc2cncnc2)c1	2009009565	RHOPCMWYIXSJOQ-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
COC[C@@H](C)CCn1cccc(B(O)O)c1=O	2014201837	DUAAGUCNJSSRPL-VIFPVBQESA-N	239.080	-0.799	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@@H](C(=O)NN)C(C)C	2014233159	YMNCVKPAXDNIIV-HBNTYKKESA-N	240.351	-0.221	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2[C@@H](C(=O)NN)C(C)(C)C	2014279850	ZPXOFNMIUCECAO-AEJSXWLSSA-N	240.351	-0.221	50	10	BBGE	
Cc1ccnc(N(C)C[C@@H]2C[C@H]2F)c1B(O)O	2014734265	FRDOGRCHFOAZKN-DTWKUNHWSA-N	238.071	-0.136	50	10	BBGE	
C=C(CN(CCOC)[C@@H]1CCCOC1)B(O)O	2021163487	UQSBDUMOKJHBFE-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
CCC[C@@H]1C[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2022428291	JTAJMLADDWTRHO-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
CCc1cnn(Cc2nn(C)cc2C(=O)NN)c1	2050246187	ADOYPTKNMAOKIM-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@@H]2C[C@@H]21	2052467503	RLOQYLNWDHDCAR-DVVUODLYSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@H]2C2CC2)nc1	2052472555	RUFYMOIHJFZGPB-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2COC[C@@H]2C1	2052490351	BMBXXIGREQXTMP-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
CCc1cc(OC)c(B(O)O)cc1OC	2060052381	BBBXPXNEWXDOIF-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
COc1c(B(O)O)ccc(F)c1[N+](=O)[O-]	2060091888	LJOCZDKTWLIMSP-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(C#N)c1B(O)O	2060286749	DWZUGDKETCWJLR-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COCC[C@@H]32)cc1	2073062635	XYKYNSHRKFEJSP-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
O=C(CN1CCO[C@H]2C[C@@H]21)NNc1ccccn1	2075109219	PZQINZZKTJJPPL-UWVGGRQHSA-N	248.286	-0.002	50	10	BBGE	
CCn1cnc(C(=O)N[C@@H]2CCC=C2B(O)O)c1	2076077637	ANBNJBGGFCSRLQ-SECBINFHSA-N	249.079	-0.266	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)c1nc(C)ncc1B(O)O	2079407583	WIOJICBGTBYUKX-NXEZZACHSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H](F)[C@H](F)C2)s1	2211072667	PCFZJRHKEPKVRU-OCAPTIKFSA-N	247.075	-0.080	50	10	BBGE	
C[C@@H](CCN)Nc1nccc(B(O)O)c1F	2212603165	CXFOZUFRRWGIIO-LURJTMIESA-N	227.048	-0.950	50	10	BBGE	
NNC(=O)c1coc(CS[C@H]2CCNC2)n1	2212628900	VESSTUUUPSIJJD-LURJTMIESA-N	242.304	-0.127	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2214598423	HCFHHQWKSFVJQP-KOLCDFICSA-N	231.060	-0.655	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2215775812	JDWOESNLSBCSQA-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CCC(=O)N2)C1	2216172474	NAVHLSHCUNPNET-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
C[C@H]1C[C@H](CNc2cc(B(O)O)ccn2)CN1	2217176146	RYOFHUOCWQRLLO-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](O)CCN(C)c1nccc(B(O)O)c1F	2217179734	NSPSIKPGRUACRQ-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2217185278	UWYNQTSWIRXPTO-GRHPYMLUSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CC=CCN2)nc1	2217190671	PAECMRBCKLJBKU-JTQLQIEISA-N	234.064	-0.942	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1Nc1cc(B(O)O)ccn1	2217201988	HKBXGEDEYFJTHM-WCBMZHEXSA-N	235.096	-0.877	50	10	BBGE	
Cn1ccc(CNc2ncccc2B(O)O)n1	2217204827	PIYCEEXFDITWGY-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223634945	QKNUKFHGTUPPCL-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CCOC[C@H]21	2223639279	QKWRWHVKWXONOC-OPRDCNLKSA-N	248.091	-0.544	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCNC3(CC3)C2)nc1	2223668706	AAKVJINPJVXCLW-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1cnc(=NCC2CC(C3CC3)C2)[nH]c1	2223669066	FRFDGXVCAORPLP-UHFFFAOYSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@]3(CCCO3)C2)c1	2223678399	BEQZSMSHSHXWKG-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
Cc1nc(NC(=O)c2ccccc2B(O)O)no1	2224111998	ZGABJQZPZNHQKU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CNC[C@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381652	HTVZVKLTAWIQME-XHNCKOQMSA-N	228.101	-0.789	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)cs1	2243385122	CSVUSQLXBOZWEL-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)N(C)C	2243392077	RBLQETRZAKMMLT-HRDYMLBCSA-N	228.101	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCCCC1(F)F	2243404377	NDIQTAKGNCRBCT-ZETCQYMHSA-N	231.007	-0.304	50	10	BBGE	
C[S@@](=O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427306	SWFKCVCYLSZSQQ-WLOPVIGXSA-N	247.125	-0.876	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1C=CCC1	2243678300	HLFLCJVXAANTOV-ZCFIWIBFSA-N	238.077	-0.272	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC[C@H]1C(F)F	2244085033	SWTUPMQGACFDQM-PHDIDXHHSA-N	235.234	-0.226	50	10	BBGE	
CSC1CN(C(=O)c2cocc2B(O)O)C1	2244205456	JQLZNFGOWQBTEY-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
CC(C)(F)CNC(=O)c1cocc1B(O)O	2244223731	ZMUSRBZQIVIQFO-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
CC[C@H](CO)Nc1cc(B(O)O)c(Cl)cn1	2245913689	WESPSPFFUMWVHD-ZCFIWIBFSA-N	244.487	-0.402	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1coc(B(O)O)c1	2247722156	KMQBIXMJZYKJCN-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1B(O)O)C1CC1	2247722212	LHBJRHSGCMXHDA-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2247733564	OHVDVTVKGIENMN-DTWKUNHWSA-N	237.064	-0.266	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)C1(B(O)O)CCC1	2247737859	LCWITRTWBMFOKK-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
O=C(NCC=CC1CC1)c1ccoc1B(O)O	2247741963	INIICTWHORWUFZ-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCCCC1	2247754106	FAWOMRZTDHVTRC-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
O=C(N[C@]12CC[C@H]1CNC2)C1(B(O)O)CCC1	2247755859	QZMLGUUZQDFNQJ-KWQFWETISA-N	238.096	-0.748	50	10	BBGE	
O=C(N[C@@H]1CNC[C@H](F)C1)C1(B(O)O)CCC1	2247758077	SOCRCIZMAFOXKA-SFYZADRCSA-N	244.075	-0.800	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786269	YIJRJAJZBAFSOA-WCABBAIRSA-N	240.112	-0.563	50	10	BBGE	
CC1(C)C[C@@H](N)CN1C(=O)C1CC(B(O)O)C1	2247790822	JNJCONRLLTZORB-AMDVSUOASA-N	240.112	-0.422	50	10	BBGE	
COC[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247796642	BPKVRZYULWTKHN-IDKOKCKLSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@H]1CCO	2247797342	IPCSONLEMRCHMU-GUBZILKMSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCOC1CCC1)C1CC(B(O)O)C1	2247806195	MTXMLVSBLDTIEI-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808499	LFSDGZWCBRNVSJ-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC1(O)CC2(CN(C(=O)[C@H]3C[C@@H]3B(O)O)C2)C1	2247808888	MYEMQAARSGALTI-YUMQZZPRSA-N	239.080	-0.777	50	10	BBGE	
CCc1ocnc1CN(C)C(=O)C#CB(O)O	2247850591	QGIAWNQEKGVPMD-UHFFFAOYSA-N	236.036	-0.789	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2247858241	CCDDGWJVWDDZER-ACLMFKJJSA-N	241.096	-0.079	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCO1	2247875177	WJLKXXMAVQEEQH-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
O=C(c1occc1B(O)O)N1[C@H]2CCC[C@@H]1C2	2247878241	MPZSBBQRJOOCBV-OCAPTIKFSA-N	235.048	-0.274	50	10	BBGE	
CC1(C)CC[C@H](N)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247886375	BDFLEZICUNMQPK-CIUDSAMLSA-N	240.112	-0.422	50	10	BBGE	
CNC1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247894745	KKXSMMLUTKRRCP-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCC12CCN(CC1)C2)[C@@H]1C[C@H]1B(O)O	2247895450	SPNIHAUAYZZKMM-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H]1CNC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898058	AAPUAPHBCFBIKG-JLIMGVALSA-N	240.112	-0.789	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2COC[C@@H](C2)C1	2247900408	WMNPTPYQCLAYPQ-QEYWKRMJSA-N	239.080	-0.656	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2247900494	XITFDHNNWZPWKE-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@@H]1N	2247910801	RJIWXNFQAOCEEV-NFTFJBJSSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1O	2247985329	GDZWBEQMMQADCH-SSDOTTSWSA-N	237.064	-0.400	50	10	BBGE	
CCCCNC(=O)c1cc(B(O)O)ccc1O	2248028596	LVSOSYLKAXOFPF-UHFFFAOYSA-N	237.064	-0.398	50	10	BBGE	
CCCN(C)C(=O)c1cc(B(O)O)ccc1O	2248033489	RYFJPRMJQTULHY-UHFFFAOYSA-N	237.064	-0.446	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1cocc1B(O)O	2249418154	PQLWRIQKOSQHHK-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2249420808	YQPBGCLPRTZTAO-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
N#CC1(O)CCN(c2cc(CO)cnn2)CC1	2251414991	VISATJDPRJDJOX-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255461786	MIAWMMDESPLLEO-VIFPVBQESA-N	246.075	-0.820	50	10	BBGE	
Cc1cc(C(=O)N2C(=O)C[C@@H]2C)ccc1B(O)O	2255509469	MDLBKGMXEZNBCX-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255674129	WJPUTECAFZJGKR-DIYOJNKTSA-N	248.091	-0.387	50	10	BBGE	
Cc1ccnc(C(=O)N2CCC[C@@H]2C)c1B(O)O	2255683078	QGIDGKJVVOTJNS-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncccc2B(O)O)[C@H]1C	2255710267	IJTYQMLJPWLLEU-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CCC[C@@H]21	2255717967	RTPXGLKERQJBOY-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1CO	2298368547	KVFRHHFNFJKOBY-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)[C@H]1C[C@H]1B(O)O	2298369366	RTHWQQORZAKWPR-LRPJSKTQSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2298376837	RRCHJUOGMBCPTE-DOLQZWNJSA-N	239.080	-0.371	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC[C@@H]2C[C@@H]2C1	2298633355	OYZZCJBUDQCFLY-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
C=CCNC(=O)[C@H](C)N1CC[C@](C)(B(O)O)C1	2303100212	XGIJZLKGYPUZMU-ONGXEEELSA-N	240.112	-0.384	50	10	BBGE	
OB(O)[C@H]1CCN(CC2(F)COCCOC2)C1	2303154666	METKXVBQGMPINY-VIFPVBQESA-N	247.075	-0.710	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCCNC2)ncc1F	2303834567	IMHKYFXLWRJZTC-ZETCQYMHSA-N	239.059	-0.936	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1CC[C@@H]2C[C@H]12	2308668063	JMVAKOINTCZJGU-JEZHCXPESA-N	246.075	-0.254	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@@H]3NCC[C@@H]32)cc1B(O)O	2312613368	HYUZSLQFUZCXBO-LSJOCFKGSA-N	248.091	-0.801	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1c1ccc(C=O)c(B(O)O)c1	2317306653	QUSNIAFLEWUMDP-UFBFGSQYSA-N	249.075	-0.862	50	10	BBGE	
Cc1ncc(CN(C)c2ncccc2B(O)O)o1	2319981182	QHDPWOFFDUNZFC-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CNC=C(C#N)C(=O)N1CCC(C(=O)O)CC1	2324591636	OVNHQNDRXATYNN-UHFFFAOYSA-N	237.259	-0.064	50	10	BBGE	
CN(C)S(=O)(=O)NCCCC(=O)Cl	11895826	OHUSRXGBRUGDTP-UHFFFAOYSA-N	228.701	-0.072	50	10	BBGE	
CC(=O)NNC(=O)CSc1ccc(N)cn1	37191323	QYKIUIXRBDQVHG-UHFFFAOYSA-N	240.288	-0.077	50	10	BBGE	
CN(C)NC(=O)NC(=O)CCCCC(=O)O	148150132	HLAQGVFTDZVUKI-UHFFFAOYSA-N	231.252	-0.066	50	10	BBGE	
CC[C@@H]1CN(Cc2ccccc2B(O)O)CCO1	199011424	MTDMZHISHFVFFY-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CCO)C1	229247940	CDEDHYSNCNMGAX-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CC(C)N(CC(N)=O)S(=O)(=O)CCCl	232295133	KFXJEXYQMFCEGZ-UHFFFAOYSA-N	242.728	-0.249	50	10	BBGE	
CC(=O)N[C@H](CC(=O)OC(C)=O)C(C)=O	238137536	FMOMMVSZZBJSFB-MRVPVSSYSA-N	215.205	-0.440	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@H](N)CC(C)C	238250765	PYOSMHIBFOBWPH-MRVPVSSYSA-N	216.090	-0.780	50	10	BBGE	
NNC(=O)[C@H](N)c1cc(F)ccc1F	258995399	LXUPWBIDLRBCST-SSDOTTSWSA-N	201.176	-0.046	50	10	BBGE	
CCc1nnsc1C(=O)NNC=O	306209426	SMNRWWDVMPNAIB-UHFFFAOYSA-N	200.223	-0.509	50	10	BBGE	
CCn1nc(-c2nccs2)cc1B(O)O	308949366	HBFIOJMUBZSZKF-UHFFFAOYSA-N	223.066	-0.294	50	10	BBGE	
C[C@H](CN1C[C@H]2CCN(C)C[C@@H]2C1)C(=O)NN	310453698	WEARCZXCTYCHRL-GMTAPVOTSA-N	240.351	-0.504	50	10	BBGE	
Nc1csc2ccc(B(O)O)c(CO)c12	396244084	LYJYBOMZGLCGDN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1c(C(=O)O)ccc2sc(B(O)O)cc12	396248939	VSQBZGLPLRCIJO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	404935846	DHFGTLCVZMDHTJ-QMMMGPOBSA-N	234.064	-0.254	50	10	BBGE	
CN(C)C(=O)Nc1ccc(B(O)O)cc1F	405148013	OPFFFKNFAUBEBF-UHFFFAOYSA-N	226.016	-0.401	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)O)c1F	607717068	JAKLPCUAARZACR-UHFFFAOYSA-N	213.957	-0.788	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCC[C@H]1O	689815683	KLYHIXTYAAOIMJ-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](CC(N)=O)C1	690736815	KLGGCRKCBVSRGC-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692084562	JCNYGBIRAVLIMQ-IUCAKERBSA-N	224.260	-0.102	50	10	BBGE	
O=C(C[C@@H]1CCCCO1)NCB(O)O	702018621	WMBITAASTKEXGF-ZETCQYMHSA-N	201.031	-0.926	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCN(C(=O)CCl)C1	702952809	JCNSIZWLPFMOHK-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
Cn1ncc(C(=O)N[C@H]2CCOC[C@H]2Cl)n1	706687501	WBINEYIEOXZKGH-RQJHMYQMSA-N	244.682	-0.059	50	10	BBGE	
CN1C[C@@H]2CN(CCCC(=O)NN)C[C@H]2C1	706978210	HJMIBAYFGAJXSE-NXEZZACHSA-N	226.324	-0.750	50	10	BBGE	
N#Cc1ccc(CC(=O)NNC(N)=S)cc1	707580180	OGQGFPBCNBZQLB-UHFFFAOYSA-N	234.284	-0.035	50	10	BBGE	
CN(C)C[C@]1(O)CCN(C[C@H](O)CCl)C1	713624652	RYIJXQMECOPLIW-NXEZZACHSA-N	236.743	-0.416	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1C[C@@H](O)C1	720907734	NTWZPYOWSLCRCT-KNVOCYPGSA-N	227.713	-0.085	50	10	BBGE	
CN1CCC([C@H]2OCC[C@@H]2C(=O)NN)CC1	721313111	DOVHPGZEXHBIJK-VHSXEESVSA-N	227.308	-0.277	50	10	BBGE	
NC(=O)NC[C]1SC=C[C@@H]1B(O)O	725595978	ISZOAYBWYZRTIM-BYPYZUCNSA-N	201.036	-0.710	50	10	BBGE	
CN(C)C(=O)NC[C]1CC(B(O)O)=CS1	725687322	VQWNBBQRQOLDDT-UHFFFAOYSA-N	229.090	-0.178	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C]1CC=CS1	725711518	BWXKDVXMDNRNQH-UHFFFAOYSA-N	249.080	-0.118	50	10	BBGE	
COC(=O)c1coc(C(=O)NNC(C)=O)c1	759355640	FPUMEXUVVWEESU-UHFFFAOYSA-N	226.188	-0.153	50	10	BBGE	
O=S(=O)(CCl)N1CC=C[C@@H]1CO	882785404	IRLIEXVJQKAMFO-ZCFIWIBFSA-N	211.670	-0.255	50	10	BBGE	
Cn1nccc1C(=O)NNc1ccncn1	1569313837	NWDUUOGXXTZYET-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1616378280	KVKIEJIGVPXMPN-MPJRPATESA-N	238.247	-0.584	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNc1cccnn1	1637052298	KQNBNCPOBSBUHE-LURJTMIESA-N	223.236	-0.569	50	10	BBGE	
Cn1ccc(NNC(=O)c2cccnn2)n1	1654552357	UDICTBHCGLGBHP-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
NCC(=O)NC[C@H]1C[C@@H]1Br	1880107432	MDFLKJSGPBAMNX-UHNVWZDZSA-N	207.071	-0.155	50	10	BBGE	
COC[C@H](OCC1(C)CC1)C(=O)NN	1886131673	MHZKLYHTAZIWKZ-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)NNC(N)=S	1886931289	HZQHQNJKXIBZST-YFKPBYRVSA-N	217.294	-0.477	50	10	BBGE	
OC[C@H](O)C1CN(C[C@H]2C[C@H]2Cl)C1	1887171256	MRUCENJUSYTFDX-VDAHYXPESA-N	205.685	-0.101	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H](F)C1	1887274436	XQLSLZOIAGGLBH-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CCC(=O)NN	1890503481	KKYCLVCAKIZJDJ-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
N[C@@]12C[C@@H]1CN(C(=O)C=CC(=O)Cl)C2	1893410892	PGUHCDIBTHTVJT-HZGVNTEJSA-N	214.652	-0.132	50	10	BBGE	
NNC(=O)COC1CC2(CSC2)C1	1893768591	NKMCKUKMAAASRF-UHFFFAOYSA-N	202.279	-0.112	50	10	BBGE	
C#CCCOc1ccc(B(O)O)cc1C#N	1901209868	XIPOEYQICOMGRH-UHFFFAOYSA-N	215.017	-0.360	50	10	BBGE	
CN(C)[C@@H]1C[C@H]2C[C@H]1CN2CCC(=O)NN	1901997137	HMCUKVAPTOLPRS-IVZWLZJFSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1902521026	FBUQSSRQZOCYJS-HRDYMLBCSA-N	227.069	-0.656	50	10	BBGE	
Cc1scc(C(=O)N[C@@H]2C[C@@H]2C)c1B(O)O	1902869114	VOMGNGNMFLHMEX-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@H](C)[C@@H](C)C(=O)NN)C1	1906685968	YVWQBOYOSYHNJO-DOLQZWNJSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3(CC3)C2)O1	1914498859	MXXSYBCFLAPDSM-RKDXNWHRSA-N	225.292	-0.380	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C)[C@H](C)C(=O)NN	1916200172	JWVCCDCBATUBCM-FXQIFTODSA-N	230.312	-0.933	50	10	BBGE	
C[C@@H]1CNC[C@@H]1C(=O)NNC(=O)C(F)(F)F	1923383533	WZQNLEFLCFEXNK-UHNVWZDZSA-N	239.197	-0.448	50	10	BBGE	
CCONC(=O)NNC(=O)C(F)(F)F	1923408130	VGHBZCBWYYEHES-UHFFFAOYSA-N	215.131	-0.169	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CO	1927918289	QVMGKMXQYBKHTI-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
CON1CCC(N(C)C(=O)NN)CC1	1928672315	QQHVVTBDGVOJOI-UHFFFAOYSA-N	202.258	-0.473	50	10	BBGE	
CC[S@](=O)NCc1sc(B(O)O)cc1C	1935196353	BWKRAWWCPLWCEW-HNNXBMFYSA-N	247.150	-0.490	50	10	BBGE	
CN(C[C@@H]1CCOC1)CC(F)(F)C(=O)NN	1935926688	SCXMNWGHZNLASK-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094768	PUFBHKMMSPSRJM-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
Cc1cn(CCOCC(=O)NN)ccc1=O	1936533603	ZOIMUWMFBKJQLD-UHFFFAOYSA-N	225.248	-0.837	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1COCC[C@@H]1Cl	1937160219	RVMOXEMWBSZDMB-NKWVEPMBSA-N	245.670	-0.814	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1N(C)C	1941088997	SSKUFWLKWNSCKE-LMLFDSFASA-N	240.351	-0.506	50	10	BBGE	
CN1CC2(CCN(C[C@H]3C[C@@H]3C(=O)NN)C2)C1	1941090960	SVAREGJZBPKUEL-ZJUUUORDSA-N	238.335	-0.750	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)[C@@H]2COC[C@@H]21	1955241172	QTHKBSDCBXCOLI-LURQLKTLSA-N	221.684	-0.722	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)C(C)(F)F	1956881921	JCYBEMZWRJNSQZ-SCSAIBSYSA-N	209.196	-0.616	50	10	BBGE	
C[C@@H](OC[C@H]1CCCOC1)C(=O)NN	1956965898	ZXQVFJDEMBTAHD-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C(C)(C)C1	1961546392	CNNMIHCQOZCCGR-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1cnc(S[C@H]2CCOC2)nc1	1961709383	XOVBCGHRLAYOLU-ZETCQYMHSA-N	226.066	-0.963	50	10	BBGE	
CNS(=O)(=O)CI	1962711943	VIERWYORUPWCMU-UHFFFAOYSA-N	235.046	-0.072	50	10	BBGE	
O=C([C@@H]1CC=CCO1)N1CC[C@H](B(O)O)C1	1967586917	MHCFVLQNJNIFTO-IUCAKERBSA-N	225.053	-0.593	50	10	BBGE	
CON(CCCCC(=O)NN)[C@@H]1CCOC1	1978748587	AHILKYYMNKPETH-SECBINFHSA-N	231.296	-0.201	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CC1(C(=O)NN)CC1	1979615806	KNDCPJBZBDAYAK-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
Cn1nnc(CNCC[C@@H]2COC[C@@H]2Cl)n1	1979870172	MPUROYXMCRDLFY-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(F)(F)C[C@@H]1C	1981239426	KFWNLAGCYDENGH-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
CO[C@H](C)CN(C)c1ncccc1B(O)O	1981424666	WVKNTJLKTNHOFB-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@H]1[C@H]2OCC[C@@H]21	1983253031	QJVZIMYLYRIWHL-XUTVFYLZSA-N	247.678	-0.082	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCCCN	1986311560	GOGIILQLJBGUQQ-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	1990772004	FESTZJOPSMZIHD-DTWKUNHWSA-N	229.280	-0.737	50	10	BBGE	
COC[C@H]1CCN(CC(=O)NNC(C)=O)C1	1990774491	JPSFMWZRFRXIIY-VIFPVBQESA-N	229.280	-0.878	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCC=CB(O)O	1991325889	APUWSKDNWARGEP-HRDYMLBCSA-N	227.069	-0.516	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C[C@H]3C[C@H]3Cl)C2)N1	1991437276	FBIWCDYWOXIIBW-BRDIYROLSA-N	243.694	-0.102	50	10	BBGE	
NC(=O)CC[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1991682242	ICKXIZLWGCCEMF-SRQIZXRXSA-N	248.666	-0.551	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@H]1COC[C@@H]1O	1991705283	CHBACPZLKYZNBY-FLPBZWPXSA-N	247.678	-0.178	50	10	BBGE	
Cc1nc(O[C@H]2CC2(C)C)ncc1B(O)O	1993465421	XEXLQRBLLIBCLP-QMMMGPOBSA-N	222.053	-0.358	50	10	BBGE	
CC1(C)[C@H](O)CN1c1nc(CCl)nc(=N)[nH]1	1993476349	PLGDLTYPIVGYAC-RXMQYKEDSA-N	243.698	-0.018	50	10	BBGE	
CO[C@]1(CN(C)[C@H](C)C(=O)NN)CCCOC1	2001494676	MQRKMVXKNBMOGX-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
Cc1ccnc(N2CC[C@H](CF)C2)c1B(O)O	2004916166	IQMXDWJPCTXAME-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
CO[C@H](C)CN(C)c1ccc(B(O)O)c(C)n1	2005017768	JVLGRMOGFVDNPI-MRVPVSSYSA-N	238.096	-0.459	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H](CCO)C1	2005060317	IRSNMJYJZSEOOV-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CC(F)(F)CCCn1cc(B(O)O)ccc1=O	2008840510	NMFIPCQEXREZSB-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
CCC(=O)N1CCN(C[C@H](C)C(=O)NN)CC1	2011465018	NZUFZMUAYNMEPR-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901640	YXBCBFUKJFJGNS-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](O)C[C@H]1COCCN1[C@@H](C)CC(=O)NN	2013003994	CFDDUBCKOPHYKZ-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CCCN2C)C1	2013600653	MQMLGJMCJRYJJF-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
C[C@H]1C[C@H](F)CN1c1ncc(F)cc1B(O)O	2014926118	JHFSYBOILPGMHJ-XPUUQOCRSA-N	242.034	-0.163	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@H](C)O1	2019216011	YRRGBRKPKIIZAO-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1Cc2cncnc2C1	2025622361	SREUKSZZLKRVEC-IONNQARKSA-N	233.275	-0.582	50	10	BBGE	
OB(O)c1ccc(F)cc1CO[C@@H]1CCOC1	2025714659	NISHKUFFRFTICB-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC23CC(N)C3)CC1	2039768474	NEBMTZYMQRVPSS-SQLBVSGCSA-N	249.314	-0.009	50	10	BBGE	
CCc1cc(B(O)O)c(C#N)cc1OC	2060263191	JJKSKLWTLBAQEA-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1cc(OCC2[C@@H]3COC[C@@H]23)cc(B(O)O)c1	2068627377	GNXCWCJWRKOCAE-VXGBXAGGSA-N	248.087	-0.054	50	10	BBGE	
CN1CC[C@@H](COCc2ccccc2B(O)O)C1	2080333394	SYUXVRZFJSZFIQ-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
Cc1nc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)ncc1B(O)O	2086990727	OCYXLBMRDPIXCB-LALMQGGXSA-N	246.075	-0.502	50	10	BBGE	
NC(=O)C[C@H]1CCCN1S(=O)(=O)CCl	2208692201	YNGXPPSYTGPCHW-ZCFIWIBFSA-N	240.712	-0.148	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CCC12CC2	2211245578	PDNVFLNLEIOSAY-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
CN(CCC(=O)NN)C[C@H](F)[C@H]1CCOC1	2212188042	WDZLIKAMPIBKFY-IUCAKERBSA-N	233.287	-0.327	50	10	BBGE	
CN(CCO)CC1(C(=O)NN)CCCCC1	2212449307	ZHMKKETUZBMBGA-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC[C@@H](O)CNc1cc(B(O)O)c(C)cn1	2212603436	GBEPHMQFOPIOMD-MRVPVSSYSA-N	224.069	-0.747	50	10	BBGE	
CCC[C@H](O)CNc1cc(B(O)O)ccn1	2212611284	YJKXDXSEPGPEBZ-VIFPVBQESA-N	224.069	-0.666	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1ncccc1B(O)O	2212615990	YAUFTQNKMLTURT-SFYZADRCSA-N	224.069	-0.810	50	10	BBGE	
CN(Cc1ncno1)C[C@@H]1CC[C@H]1C(=O)NN	2215773580	BRFGLFZKAAKNSJ-JGVFFNPUSA-N	239.279	-0.483	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)C2(C)C	2215874079	SUZPCWPXQQXUHM-KXUCPTDWSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC[C@@H]3O)C2)CCC1	2216534479	OHAKVPCRMWWOCB-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
CC(C)[C@H](Oc1ncccc1B(O)O)[C@@H](C)N	2217171624	FHXFQXRBOCWEQY-SCZZXKLOSA-N	238.096	-0.488	50	10	BBGE	
C[C@@H]1CO[C@H](CNc2ccc(B(O)O)cn2)C1	2217179701	BEAQNDOUZLESHO-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1nccc(B(O)O)c1F	2217183568	JKWRTFAZHWEAMW-ZCFIWIBFSA-N	242.059	-0.528	50	10	BBGE	
CO[C@H]1C[C@@H](COc2cc(B(O)O)ccn2)C1	2217187756	DIZJDWPUHZARIB-WAAGHKOSSA-N	237.064	-0.435	50	10	BBGE	
NC[C@@H](Oc1cc(B(O)O)ccn1)C(F)(F)F	2217193084	RLSVIQHEBNRKPH-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@@]2(CCN2)C1	2223627220	QBPGWEZGQFMYRR-OTCDBFHCSA-N	248.091	-0.718	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@@H]2C[C@@H]12	2223652313	ICHAPAGNPHDZHL-BBHBSTQDSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@H]3CNC[C@H]2C3)c1	2223661434	PRPPRBGRBYHDKR-NGZCFLSTSA-N	248.091	-0.862	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2c1ncccc1B(O)O	2223669363	IWOHYWOERMLORA-OWUUHHOZSA-N	247.107	-0.780	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1c1ccc(B(O)O)cn1	2223672267	SULXDGRSEBYPNS-VDDIYKPWSA-N	249.123	-0.677	50	10	BBGE	
O=C(NCc1ccccc1)c1c[nH]nc1B(O)O	2241495884	OAPWKGJBAKTPHX-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2243363406	GKNKXCLMSGHDDR-JIGDXULJSA-N	225.053	-0.856	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243363973	PIZXUTWIERBKMF-SFYZADRCSA-N	227.069	-0.513	50	10	BBGE	
CNC1(CNC(=O)C2CC(B(O)O)C2)CC1	2243391280	IRTMURPNRCDZBM-UHFFFAOYSA-N	226.085	-0.892	50	10	BBGE	
Cc1cnc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2243397306	YSIIFMRNLXXPTP-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
CCC1CC(CN(C)C(=O)C#CB(O)O)C1	2243400136	WMBNYFLPPKOOEB-UHFFFAOYSA-N	223.081	-0.104	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]2CC[C@H]1C2	2243401820	XFVPNSGOHCKKDD-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)cc1C	2243403645	AMYPZBWCNQKELP-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
C=CCN(C)C(=O)c1cncc(B(O)O)c1	2243406639	BYJFUZVDPPLBEY-UHFFFAOYSA-N	220.037	-0.981	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ncsc1B(O)O	2243408053	GCJJPCKUWZRRFY-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
Cn1ccnc1NC(=O)C1(B(O)O)CCC1	2243410568	DKSUIPNEUYQRPA-UHFFFAOYSA-N	223.041	-0.244	50	10	BBGE	
CC(C)C1(O)CN(C(=O)C2(B(O)O)CC2)C1	2243411074	NHNBVHZHCBWVBD-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
CC(C)(C#N)CNC(=O)C1CC(B(O)O)C1	2243413953	QLWODZDVDXKETE-UHFFFAOYSA-N	224.069	-0.095	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CC[C@H]1N	2243427418	VDZFXBLXZAHILO-BGZDPUMWSA-N	226.085	-0.813	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)co1	2244205492	KAFHRADBUNZBPO-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@]12CCC[C@@H]1C2	2244548663	SJQMWROWNSSGTB-KOLCDFICSA-N	221.065	-0.302	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCOC2)C1(B(O)O)CCC1	2247751638	ZTEBLFWKTWHXHK-WPRPVWTQSA-N	239.080	-0.321	50	10	BBGE	
O=C(N1C[C@H]2C[C@H](O)[C@H]1C2)C1(B(O)O)CCC1	2247757892	YCEAVUCTKYPCGN-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
C=C(F)CNC(=O)c1cc(C)cc(B(O)O)c1	2247761522	VVWGYANMTTWJOW-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CCC[C@@H](C)CNC(=O)c1n[nH]cc1B(O)O	2247785320	JCNSNWGMVXBIGG-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCC1	2247787951	WZCUWGUBGLDARQ-DTORHVGOSA-N	240.112	-0.373	50	10	BBGE	
O=C(N[C@H]1COC2CC1C2)[C@H]1C[C@@H](B(O)O)C1	2247793737	ZOTWLOGQNBTXLA-HLIPJQORSA-N	239.080	-0.467	50	10	BBGE	
Nc1ncccc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247797309	IKMOUHCXOTULAQ-LJGSYFOKSA-N	235.052	-0.145	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2247799864	JDCAFBBUJZBZIC-HOTMZDKISA-N	239.080	-0.636	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)[C@H]1C[C@H]1B(O)O	2247800646	RCGDWKNFTGCDAL-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN2CCC[C@@H]2C1	2247806421	NAGWLRAWFBYVCS-OPRDCNLKSA-N	238.096	-0.844	50	10	BBGE	
CCC[C@@](C)(CO)NC(=O)C1CC(B(O)O)C1	2247807445	RDTQOOKAORXDDZ-AMUVOQDHSA-N	243.112	-0.093	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccc(B(O)O)o1	2247847580	ZCDITDAQGQTNSI-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]2C1	2247858403	DRTDPBJPVAUHCY-SYEZBEBOSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1CCC[C@H](CN)N1C(=O)C1(B(O)O)CC1	2247873792	LZRFTGMSFIFWSR-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
O=C(N1CCC12CCNCC2)C1(B(O)O)CC1	2247877950	GRQACXVIXLRRKD-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)C1(B(O)O)CC1	2247878277	IZJKVUDVVYESOG-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)C1(B(O)O)CCC1	2247879681	UWHVKDNZHDWGOX-AMDVSUOASA-N	239.080	-0.323	50	10	BBGE	
C[C@@]1(C(=O)O)CCN(C(=O)C2(B(O)O)CC2)C1	2248577188	KXESGANXZGAESJ-SECBINFHSA-N	241.052	-0.683	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1cc(B(O)O)co1	2249427877	ATSISIJWDHKLTJ-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249429521	WIJAEHGUVNIEFM-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2249614707	WRQFGDHDOACRQV-SRSLHRDFSA-N	249.261	-0.686	50	10	BBGE	
O=C(Nc1nncn1C1CC1)[C@H]1C[C@@H]1B(O)O	2250333903	RPIQXYQYLPIIMB-BQBZGAKWSA-N	236.040	-0.586	50	10	BBGE	
COCCN(C[C@H](C)O)[C@H](C)[C@H](C)C(=O)NN	2250545991	PGMXOUGOORWJGU-LPEHRKFASA-N	247.339	-0.670	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2253336422	YNWIZQPLFLXNJB-ACZMJKKPSA-N	248.038	-0.956	50	10	BBGE	
Cc1ccn(NC(=O)c2ccc(B(O)O)cc2)c1	2255530851	OCJAMELTGNPJGB-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1c[nH]nc1B(O)O	2255555110	WKMMLBRDMYQYBO-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]3C2)oc1B(O)O	2255790572	ZVFZPKQBQAHYFB-BRPSZJMVSA-N	249.075	-0.204	50	10	BBGE	
C[C@H](C#N)CNC(=O)Nc1ccc(B(O)O)cc1	2255919977	RTDMWAQUZYKLJY-MRVPVSSYSA-N	247.063	-0.352	50	10	BBGE	
CC#CCC(=O)NCc1ccc(B(O)O)cc1F	2257489197	KOCFPYFBPTWWDU-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	2258958767	XPGWWBAJOSWJNY-KKJSVHSVSA-N	247.103	-0.200	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CNCC1(C)C	2261233616	DILWRURVVWMSMN-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
C=CC1CN(C(=O)c2c(F)cccc2B(O)O)C1	2261386367	NJOJZHZMSOYVQA-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@@H]21	2298369418	UIUBRULMSYXPKZ-KGDYZURWSA-N	239.080	-0.779	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2298371158	BESDLIBHNNFRQD-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298375133	QWSVIVICPPJVKN-JGVFFNPUSA-N	249.100	-0.172	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C(C)(C)CN1	2298377643	YIQCJVYVKRZIIH-YIZRAAEISA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C(=O)O	2298463538	JHOKJJKIJVJVLA-OSMVPFSASA-N	241.052	-0.829	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)C1(B(O)O)CCC1	2302281920	GMPAWIMDMRRIDC-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C[C@@H]1CCO1	2302383276	OPRFQJJYSKJNGW-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C1(C)COC1	2303836675	PLGOCDJQEIPBDR-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CNCC(C)(C)Oc1cc(B(O)O)c(F)cn1	2303851954	HTVSXVUISPMQPE-UHFFFAOYSA-N	242.059	-0.723	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1cccc(B(O)O)c1	2311431185	ZOAAMVLMBIWGSK-ZHAHWJHGSA-N	245.087	-0.105	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1c1ccc(B(O)O)cc1C#N	2317163239	WSGMFIHFMSAOMZ-KCJUWKMLSA-N	245.091	-0.836	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2O[C@H]3CC[C@H]2C3)nc1	2327594006	JSHZSXFDHYWJNA-LSJOCFKGSA-N	248.091	-0.259	50	10	BBGE	
NNC(=O)CNCCN1CCCCC1	58845432	WCUSWJUOPHPFCH-UHFFFAOYSA-N	200.286	-0.948	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1CCN	70150054	ULHLWSGTIJVNHW-JTQLQIEISA-N	242.323	-0.643	50	10	BBGE	
CC(C)C(=O)NCc1ccc(B(O)O)cn1	203815661	YJYYKIZLSHGERK-UHFFFAOYSA-N	222.053	-0.966	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@H](N)C(C)(C)C)B(O)O	213615879	ASNSCWBTALGNHQ-BDAKNGLRSA-N	244.144	-0.097	50	10	BBGE	
COC[C@H](CO)NC(=O)CCBr	229037124	IMWSFNZZPKLPIV-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](CO)CCCO	238423249	KFVAHYQTIGEXPP-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
Cc1nn([C@@H]2CCCCO2)cc1B(O)O	238534205	PONAEIYVWYVSQC-VIFPVBQESA-N	210.042	-0.430	50	10	BBGE	
COC(=O)[C@H](Br)[C@H](O)CO	238798440	DLLCDHNNUJXBRM-QWWZWVQMSA-N	213.027	-0.724	50	10	BBGE	
COC(=O)[C@](C)(NNC(N)=O)C(C)C	238799644	HZEKVKRWZQVUCX-MRVPVSSYSA-N	203.242	-0.253	50	10	BBGE	
C[C@H](CN)c1ccc2c(c1B(O)O)OCO2	258350020	GBDBZZBZZPAEMK-ZCFIWIBFSA-N	223.037	-0.843	50	10	BBGE	
Cc1ccn(CCCC(=O)NN)c(=O)n1	300957279	UXQZBYGOZKCUHD-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
O[C@H]1C[C@H](Br)C[C@@H](O)[C@H]1O	306406333	GHHOPJCDDUGPCW-MOOBDJKMSA-N	211.055	-0.374	50	10	BBGE	
Nc1c(O)sc2ccc(B(O)O)cc12	306583203	PNFQWKJIOMMUMW-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1CCOCCN1C[C@@H](O)CCl	307729603	GBZQDLPYNBEVMH-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1CCC(=O)NN	380584804	QSOHYFHLYNTVET-UHFFFAOYSA-N	220.232	-0.592	50	10	BBGE	
CC1(C)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	381894638	UANPSOIMQBGBAY-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN)N(C)CC(=O)NNc1ccccn1	383022531	SARJCHLWWUCHMM-SECBINFHSA-N	237.307	-0.196	50	10	BBGE	
CCC1(O)CN(Cc2cc(C(=O)NN)co2)C1	384141446	NLKLRLIPTXWKMF-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
C[C@H](O)CCN(C)Cc1nc(C(=O)NN)co1	386970947	LQDCRLPGUFRICX-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
C[C@H](Cl)C(=O)c1cccc(B(O)O)c1CO	396040588	MPJIWHAWJKJYGA-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
CC(C)(C)[C@@H](SC[C@H](O)CO)C(=O)NN	396043744	UIBOANYPIIGKEP-RQJHMYQMSA-N	236.337	-0.523	50	10	BBGE	
C[C@@H](Cl)C(=O)c1c(C=O)cccc1B(O)O	396050246	CNQDLCXAKSAMEA-ZCFIWIBFSA-N	240.451	-0.011	50	10	BBGE	
Nc1sc2ccc(C(=O)O)cc2c1B(O)O	396241459	LZYFPANZXWPYDL-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1ccc2cc(B(O)O)sc2c1C(=O)O	396246158	NZHNGYZIGWWFBX-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
COC[C@H](C1CC1)N1CC(=O)OC(=O)C1	398369531	PSDZLIXDNTYZJI-MRVPVSSYSA-N	213.233	-0.203	50	10	BBGE	
Cc1cc(B(O)O)ccc1N[S@](C)=O	405145505	MIRZMKJXWMWGNE-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)cc1	584983588	PMANGINCTAQXHD-ZSBIGDGJSA-N	245.087	-0.105	50	10	BBGE	
CC[C@@H](C)OC(=O)C[S@](=O)CC(=O)NN	586371400	PZVGIXCRFCPWAE-NPMWZIQKSA-N	236.293	-0.933	50	10	BBGE	
C[C@H](O)[C@H]1CCCN([C@@H](C)C(=O)NN)C1	688958840	KMDKZDYHUWIUOV-CIUDSAMLSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CN(C)C)C1	689161068	WISJCDIDWDNWJQ-DCAQKATOSA-N	242.367	-0.116	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)CC1CC1	690927381	QJIQVWKRIGJUNZ-VIFPVBQESA-N	215.297	-0.541	50	10	BBGE	
CCN(C[C@H](C)O)C[C@@H]1CC[C@H](C(=O)NN)O1	692175728	XPGLUGACCZTXEX-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(C#N)C1	693996981	CXEACQGZMPBJDN-PSASIEDQSA-N	210.281	-0.010	50	10	BBGE	
CC1(C)CC[C@@H](Cn2cc(B(O)O)cn2)O1	694536377	QZDPOFAANPGBKG-VIFPVBQESA-N	224.069	-0.480	50	10	BBGE	
COC[C@H](CO[C@@H](C)C(=O)NN)OC	695711427	UJYAVOGRUKATFD-NKWVEPMBSA-N	206.242	-0.957	50	10	BBGE	
NNC(=O)c1ncc(COC2COC2)s1	711286512	BUUYSBFGZDHSCL-UHFFFAOYSA-N	229.261	-0.338	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCC3(CCC3)O2)c1	712419203	TZWWSHPZMFCMIX-SNVBAGLBSA-N	236.080	-0.335	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@H]1C1CC1	712805988	QLNAHRBUCSYXBG-SFYZADRCSA-N	211.265	-0.471	50	10	BBGE	
C[C@@H](O)C1CN([C@H](C)CCC(=O)NN)C1	719807369	NHAISRNLLYUZOU-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CNC(=O)N(C)C[C]1CC(B(O)O)=CS1	725687237	SXENJXFWPPMNPR-UHFFFAOYSA-N	229.090	-0.178	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	733805091	CKVMLCFOSZGEHX-IWSPIJDZSA-N	241.291	-0.737	50	10	BBGE	
CNC(=S)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733813490	RTHHSPAHHVPHFR-DSYKOEDSSA-N	229.305	-0.321	50	10	BBGE	
CC(C)(C)C(=O)NNS(=O)(=O)N1CCC1	795296375	FSIOXPIPGLREQR-UHFFFAOYSA-N	235.309	-0.396	50	10	BBGE	
OB(O)c1cccc(CNCC2CSC2)c1	895423430	JJBGVDAITPSJIP-UHFFFAOYSA-N	237.133	-0.181	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1C[C@H](C)CO1	895512220	JIKKXKKTMRYZOL-NTSWFWBYSA-N	202.210	-0.201	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)n1ccnc1	1453284427	MJTJPTDGLREEGA-ZETCQYMHSA-N	248.246	-0.372	50	10	BBGE	
COCCN(C)NC(=O)C1(O)CCOCC1	1467957317	WWIRKVRVCDMQKQ-UHFFFAOYSA-N	232.280	-0.863	50	10	BBGE	
CCn1cc(CC(=O)NNC(=O)C2CC2)nn1	1540363513	WOASYANLGWEMQX-UHFFFAOYSA-N	237.263	-0.602	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H](O)C(C)(C)O	1587599259	FAPPKAMQOAPGBM-LURJTMIESA-N	248.279	-0.326	50	10	BBGE	
CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CN(C)C	1641242590	CAQUDCIAKISMCO-BDAKNGLRSA-N	243.307	-0.490	50	10	BBGE	
Br[C@H]1C[C@@H](N=c2nn[nH][nH]2)C1	1880295900	AENDHBILTPAONC-ZXZARUISSA-N	218.058	-0.041	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)CCCCl	1881838056	MTGVBYWFVIVERG-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(O)CC1	1889009675	HEIMZSOBTWDFOO-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1C	1896022289	IUFZAGSFTKOEEM-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)OCC1=O	1897014651	UQZGKFGIBARMJR-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@@H]2C[C@@H]2CO1)B(O)O	1897283623	LCEGCMBYKJPVEM-AXFHLTTASA-N	225.097	-0.089	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)OCCl)C[C@H]12	1900557829	HUTKGDKXMDDCCD-WHFBIAKZSA-N	218.640	-0.018	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CC[C@H](B(O)O)C1	1902535008	WGXBLTYWKQEIBN-BDAKNGLRSA-N	226.085	-0.844	50	10	BBGE	
OB(O)c1csc(COC[C@@H]2CCCO2)n1	1902653720	OKGKLWDFOULGDE-ZETCQYMHSA-N	243.093	-0.482	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)C1)C1CC(B(O)O)C1	1902667335	YUUOXPPWUPJEAC-ABIFROTESA-N	227.069	-0.731	50	10	BBGE	
CC[C@](C)(CN1CCC(O)CC1)C(=O)NN	1902709345	MXGCZLDACHXDTM-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccnc(SCCC2(O)CC2)c1	1902833326	SMLCMNNRDOTYLJ-UHFFFAOYSA-N	239.105	-0.232	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H]2COC[C@@H]21	1909686652	XPEKAADVJXWLIP-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)C(C)(C)C1)C(=O)NN	1914011656	UJKJUUBHFXZRST-BDAKNGLRSA-N	229.324	-0.437	50	10	BBGE	
CO[C@H](C)[C@H](O)C(=O)NNC(=O)C(F)(F)F	1923413714	AZKXIJXVHCSVHB-DMTCNVIQSA-N	244.169	-0.908	50	10	BBGE	
C[C@H](CCO)NC(=O)NNC(=O)C(F)(F)F	1923449334	WKSFUGVTCNJRTM-SCSAIBSYSA-N	243.185	-0.350	50	10	BBGE	
CC(C)C[C@@H](SCCNCCN)C(=O)NN	1923485227	KNRLWOSHVAPKTM-SECBINFHSA-N	248.396	-0.328	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC1=O	1927912616	YWBLURDNHMFTSQ-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)CC(=O)NN	1929906987	ACRGUFHZIQURAF-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CCCn1nccc1C(=O)NNC(N)=S	1930807769	UEYYKQIWXYRTIG-UHFFFAOYSA-N	227.293	-0.229	50	10	BBGE	
O=S(=O)(CCl)NCC[C@@H]1COCCO1	1931781974	STRDRCMMKJAXBP-SSDOTTSWSA-N	243.712	-0.092	50	10	BBGE	
CC[C@]1(C)CN([C@@H](C)C(=O)NN)CCO1	1932354297	CWCXNXMHRQEZNP-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)NN)CCS1(=O)=O	1933368997	XDOQLWIVEOPEBG-ZCFIWIBFSA-N	235.309	-0.627	50	10	BBGE	
O=C(NCB(O)O)C1CC(C(F)(F)F)C1	1933651058	GQFQKHDJYKYTRR-UHFFFAOYSA-N	224.975	-0.297	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C[C@@H]1C[C@H]1C(=O)NN	1936089812	FENZACMUDNHEHR-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)CC[C@H]1C	1936535229	NATIRBKMQUKXLC-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1COCCCO1	1939091723	HNBDEZUGBVHBDQ-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@]12CC[C@@H]1C2	1940153892	SJMPRVYGSLWYEO-ANLVUFKYSA-N	238.077	-0.439	50	10	BBGE	
N#C[C@@H](O)[C@H](N)COc1ccc(CO)cc1	1952820049	CJANVYNVAALNSO-GHMZBOCLSA-N	222.244	-0.231	50	10	BBGE	
O[C@@H](CBr)CN1C[C@@H](O)CO1	1953287328	GWUNHSYSKYOAMG-NTSWFWBYSA-N	226.070	-0.650	50	10	BBGE	
C#C[C@@]1(O)CCN(C[C@H](O)CBr)C1	1954824011	QYYJOTQZKWITRJ-RKDXNWHRSA-N	248.120	-0.188	50	10	BBGE	
CN(CCCl)S(=O)(=O)N1CC(C#N)C1	1956213486	PLEUXLMSHIPSHT-UHFFFAOYSA-N	237.712	-0.143	50	10	BBGE	
COC1(CF)CN([C@H](C)C(=O)NN)C1	1956669714	VRZOIHTVFZTNBM-ZCFIWIBFSA-N	205.233	-0.965	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C[C@H](O)CCl	1960155255	FZUYENARKHQUNN-SFYZADRCSA-N	236.699	-0.967	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1960275196	YCPJHNJTBKWZRF-OYNCUSHFSA-N	213.281	-0.931	50	10	BBGE	
OB(O)c1cncc(OC2CC=CC2)c1	1962073643	SEKVAHQQCDHDJU-UHFFFAOYSA-N	205.022	-0.141	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COC(=O)O2)CC1	1975371991	WBQNNTJCEZFHRC-QMMMGPOBSA-N	226.232	-0.128	50	10	BBGE	
CC(C)CO[C@@H]1CCN(C(=O)C(=O)NN)C1	1976102647	OJICQVFMSAKZFC-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1976578886	LQFLTPTZTRGIJI-SCZZXKLOSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]1CC[C@H](CCN(C)C(=O)C(=O)NN)O1	1977029046	BQCUEWXBOMCUKQ-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
CCN(CCc1nccs1)C(=O)C(=O)NN	1980809200	GZAFZSYSAYCPTC-UHFFFAOYSA-N	242.304	-0.476	50	10	BBGE	
C[C@H]1CC(=O)N(CCOCC(=O)NN)[C@@H]1C	1981163212	MMFQVMIVNFKAKB-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
CN(CCC(F)F)c1ccc(B(O)O)cn1	1981410384	YZFWWYMRTLUPQC-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]2C(F)F)nc1	1981410733	CSRPPOQLYCCVTE-SSDOTTSWSA-N	228.007	-0.395	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1c1ncncc1B(O)O	1981414591	UCCROOPKILTOPP-HTQZYQBOSA-N	221.069	-0.466	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H](O)C[C@H]21)C(=O)NN	1984031111	MJQZWPMHSJAAJS-YIZRAAEISA-N	227.308	-0.542	50	10	BBGE	
CO[C@@H](C)COCc1ccccc1B(O)O	1986048818	JTJYLADDDLWZFE-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1NC(=O)/C=C/C(=O)Cl	1991714156	BXBOVCYPIWELRL-XMYQNILUSA-N	246.694	-0.247	50	10	BBGE	
CCC1(C)CC(C(=O)NCC#CB(O)O)C1	1992152212	BHMVZHORCICKDF-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C12CCC2	1993528941	PGCWQEQCXJMAKD-DTWKUNHWSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)CN1CCCC12CCC(O)CC2	1993775954	KIABNRUOJYCSEZ-UHFFFAOYSA-N	227.308	-0.254	50	10	BBGE	
CC[C@H](O)CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC1	2000012683	ZROZBMYYRXUIFJ-LSJOCFKGSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1C(=O)NC1CC1	2003595638	SXVVFLMPYVBWGR-IONNQARKSA-N	240.307	-0.892	50	10	BBGE	
CCN([C@@H](C)CCC(=O)NN)[C@@H]1CCNC1=O	2004314246	ODJQOEBLKFJRHF-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CCn1ncc(CN(C)[C@H](C)CC(=O)NN)n1	2004803670	COWMDOPSJISKEQ-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3C[C@H]32)c(F)c1	2005015797	FUGOZBCUKAYUTK-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ncccc1B(O)O	2009677865	XWORTMPUGDVZIN-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
Cc1cc(Cn2ccc(B(O)O)n2)nnc1C	2013209271	PCVQHMAMCKQVFJ-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C(C)(C)C(=O)N1	2013376220	PBOUNUUDECBRMS-YUMQZZPRSA-N	242.323	-0.646	50	10	BBGE	
C[C@@H](CN(C)CC1COCCOC1)C(=O)NN	2014493997	AGNBMLTWDFTPTK-VIFPVBQESA-N	245.323	-0.793	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)CC1(C(=O)NN)CC1	2015791103	RJQGEWSCEMFXCB-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
CCOC(=O)c1cc2cc(B(O)O)cn2cn1	2015865590	YQQBNKNRLKSGOV-UHFFFAOYSA-N	234.020	-0.809	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	2016208301	UEGSSFQPNNSVRL-WHSYLGORSA-N	245.298	-0.309	50	10	BBGE	
C[C@H]([C@@H]1C[C@H]2CCO[C@@H]21)N(C)C(=O)C(=O)NN	2024317082	IISDXHUGBZLOSI-HXFLIBJXSA-N	241.291	-0.752	50	10	BBGE	
CC1(OCCn2cc(C(=O)NN)nn2)CCC1	2026804255	CRTMOGQTMNGCRG-UHFFFAOYSA-N	239.279	-0.159	50	10	BBGE	
CCc1c(B(O)O)ccc(F)c1[N+](=O)[O-]	2060090283	YCMINMMVBHXTED-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
COc1cc(Cl)cc(B(O)O)c1C#N	2060102545	HZZWHVDHXRPVNA-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c(F)ccc(B(O)O)c1OC	2060111901	AKMHCHMQVNMSBX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1cc(B(O)O)c(F)cc1OC(F)F	2060262300	MYYATDQWXKDZLD-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CC[C@@H]21	2079008831	NHMSAOFWMKLNRM-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
Cn1nc(Br)c(CNC(=O)NN)n1	2209207527	JQFGFQFCEZMYMW-UHFFFAOYSA-N	249.072	-0.750	50	10	BBGE	
C[C@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2212249279	OKQZHMMIGVPHDN-JTQLQIEISA-N	227.308	-0.397	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@H]1C[C@H](O)C1	2212266800	QNBOFZAZTMPBFZ-KYZUINATSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1ccc(B(O)O)cn1	2212607289	JCYNOSBGPPYQNU-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
CN(C[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)C(=O)NN	2213207819	DIFYCDOFAZZSTP-CIUDSAMLSA-N	241.291	-0.750	50	10	BBGE	
C[C@]1(CO)CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215773081	AMNPOVOACBMKOK-SCVCMEIPSA-N	241.335	-0.293	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215778343	YPOUQNMHPNCHMF-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
C=CC1(O)CN(CC2(C(=O)NN)CCCC2)C1	2216882748	CDPYDBXTLWXTBG-UHFFFAOYSA-N	239.319	-0.231	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCOC2)c1F	2217179483	LDGJLLRPAOFCNB-SSDOTTSWSA-N	240.043	-0.509	50	10	BBGE	
Cc1cnc(NCC(F)(F)CN)cc1B(O)O	2217184326	ONEOSWHIYNXZPZ-UHFFFAOYSA-N	245.038	-0.924	50	10	BBGE	
CC[C@H](CNC)Oc1nccc(B(O)O)c1F	2217196429	SCLLJVNXUSSKGH-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@@H](C)C2)cc1B(O)O	2223643571	XJXSQEJIORGUCZ-VHSXEESVSA-N	249.123	-0.378	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3CNC[C@H]32)cc1B(O)O	2223650154	IVEOSEFYIYWYAD-IQJOONFLSA-N	248.091	-0.943	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c1F	2223661234	PCVPKQSWURDEGF-IUKDSNFXSA-N	249.050	-0.066	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNC[C@H]2C2CC2)c1	2223662419	OTNXLNPKVAKZTG-QWRGUYRKSA-N	248.091	-0.862	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2c1ncccc1B(O)O	2223665309	FKFMTZNMKLJLHF-QRTLGDNMSA-N	248.091	-0.889	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(c1ncccc1B(O)O)C2	2223671370	KRYXMTIMEXIQBC-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C#CB(O)O)CCS1	2243349688	OZEPRDGQUHMIJJ-RKDXNWHRSA-N	241.121	-0.350	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ncsc1B(O)O	2243359646	VPHBZVPODLBIEU-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
CON(C)C(=O)c1ncc(B(O)O)cc1Cl	2243378598	WGKYSLOBNMKHNY-UHFFFAOYSA-N	244.443	-0.952	50	10	BBGE	
Cn1cnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)c1	2243382564	QCLFMTJKTIRARJ-LJGSYFOKSA-N	223.041	-0.388	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ncon1	2243395958	FGJWETDGMCFFJI-HCWXCVPCSA-N	225.013	-0.890	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1nscc1B(O)O	2243398705	SLZUJQCXCVFBIF-VDTYLAMSSA-N	240.093	-0.697	50	10	BBGE	
CN(C[C@@H]1C=CCCC1)C(=O)C#CB(O)O	2243400302	YVEPRGVFMZAGHW-SNVBAGLBSA-N	221.065	-0.184	50	10	BBGE	
O=C(N(O)C1CCOCC1)C1(B(O)O)CC1	2243409647	MFQFMZZCWOTBFK-UHFFFAOYSA-N	229.041	-0.610	50	10	BBGE	
C[C@@H](O)CN(C(=O)C1(B(O)O)CC1)C1CC1	2243410800	HZPSULQCAWTHSY-SSDOTTSWSA-N	227.069	-0.635	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CC[C@H]1N	2243427419	VDZFXBLXZAHILO-FNCVBFRFSA-N	226.085	-0.813	50	10	BBGE	
O=C(NC[C@]12CNC[C@H]1C2)C1(B(O)O)CCC1	2247750707	NBZTXBXHGVBWFY-SCZZXKLOSA-N	238.096	-0.891	50	10	BBGE	
COC[C@H](CN(C)C(=O)C1(B(O)O)CC1)OC	2247751514	YNGZRPUGBLUVPM-QMMMGPOBSA-N	245.084	-0.887	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)N1C	2247753216	CVPCWXVKKHOLTI-RKDXNWHRSA-N	240.112	-0.456	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)CC1(C)C	2247758361	ZBOCQCJUFFNBSQ-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247790858	JYIUOJDNDKUCCG-FNCVBFRFSA-N	237.064	-0.223	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCOC1	2247806588	GEMIDZCWFRDWAD-ATZCPNFKSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247807439	IBTMRZNKGHFRSW-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](O)C12CCC2	2247807662	IQSXDWMBAGMWSI-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C(C)(C)C1	2247808782	WEFOTNRLXHNKOI-DTWKUNHWSA-N	240.112	-0.598	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247809303	OVNMYICJPBNCEA-HTQZYQBOSA-N	235.052	-0.702	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2ccoc2B(O)O)C1(F)F	2247847155	SFHZRHMAQWEZAC-UJURSFKZSA-N	244.990	-0.657	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccc(B(O)O)o1	2247849522	AZBJQZLCNXMLAL-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
Cc1cccc(C(=O)N2CCC2=O)c1B(O)O	2247853740	QQPITFWWIYJCLG-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247855587	VBEPEENYYAJXLV-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)[C@@H](C)CN1	2247856743	MXBIYYHFYDCIKY-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
Cc1cn(C)nc1CNC(=O)C1(B(O)O)CC1	2247873723	FQHSGUFWFMZPGE-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
CN(CC1(C)COC1)C(=O)C1(B(O)O)CCC1	2247878950	QOYKPOJIZWHOHC-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
O=C(NC1([C@@H]2CCNC2)CC1)[C@H]1C[C@H]1B(O)O	2247899552	OBBARVLFVGXFKL-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)N1	2247903416	KMPIJHRAMSXILA-BQKDNTBBSA-N	240.112	-0.552	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1cocc1B(O)O	2249417032	ZUECZFKQORBWDM-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1cocc1B(O)O	2249419474	HRWKDOAZAGGYLD-RNFRBKRXSA-N	235.048	-0.655	50	10	BBGE	
CC1CC(CNC(=O)c2cocc2B(O)O)C1	2249426272	QHWUOVZTEKRJHJ-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1occc1B(O)O)N1C(=O)[C@H]2CCC[C@H]21	2255490944	PKGTYGYRJWFJCD-POYBYMJQSA-N	249.031	-0.890	50	10	BBGE	
Cc1cccc(C(=O)Nc2ncon2)c1B(O)O	2255509309	JIOQLGOAGDFXBT-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2CC[C@@H]21	2255510153	VHVXAUXSGYUGEW-WPRPVWTQSA-N	248.091	-0.671	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)c(C)c1	2255513015	JNYVZUGZPVCCKT-NSHDSACASA-N	245.087	-0.184	50	10	BBGE	
C=CC1(NC(=O)c2ncccc2B(O)O)CCC1	2255518089	HDILBWUTEIODDX-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1cc(B(O)O)n[nH]1	2255550457	XOVPIEGFHAAPRO-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
NCc1cccnc1NC(=O)C1CC(B(O)O)C1	2255566557	YWVZDLCRNIYOJT-UHFFFAOYSA-N	249.079	-0.268	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)cn1)C2	2255710416	KHBDHCSMKPTPCJ-PRHODGIISA-N	246.075	-0.757	50	10	BBGE	
Cc1nccnc1NC(=O)c1ccoc1B(O)O	2255715831	KTVCSZARUNUMDQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H](CNC(=O)c1ccc(B(O)O)cn1)C1CC1	2255716152	ASXGDGBIUZNJMY-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
C#CCN(C(=O)c1coc(B(O)O)c1)C1CCC1	2255723637	GUHJROJXWNQZRG-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
O=C(Nc1ccccn1)c1ccncc1B(O)O	2255728210	BOPFPVOOXXXSLS-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255952287	QRWWSNJOFPVFEC-XVKPBYJWSA-N	249.075	-0.400	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2258120440	BPTQMAILAFCRHK-MCNGFCJOSA-N	247.059	-0.560	50	10	BBGE	
Nc1ncccc1C(=O)N1CCC(B(O)O)CC1	2258865637	KUBYKFSHMYRVHD-UHFFFAOYSA-N	249.079	-0.257	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CC2)c1cc(B(O)O)c[nH]1	2260560126	YRYDJABROHIBQY-PELKAZGASA-N	248.091	-0.243	50	10	BBGE	
C=C1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2301451414	RIJKIWKORCDJGX-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](F)[C@H](CO)C1	2302049565	IHTASXLMXOZUTQ-LPEHRKFASA-N	247.314	-0.203	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C[C@@H]1O	2302568438	LROGIXGLGNXNHR-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
CCn1cnnc1CN1CC[C@](C)(B(O)O)C1	2303157751	JIYYPIYXHLTVBN-JTQLQIEISA-N	238.100	-0.263	50	10	BBGE	
N#C[C@@H]1CN(CCCC(=O)NN)[C@H]2CCN1C2	2303227734	ILDXGTKHRCJJOD-VHSXEESVSA-N	237.307	-0.961	50	10	BBGE	
Cc1ncc(CN(C)C(=O)C2(B(O)O)CC2)o1	2303303029	MQAODIXIHJMRCZ-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)CO1	2303836369	LOJUYIORLXKBCH-RQJHMYQMSA-N	240.043	-0.510	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CNC[C@@H]2C3)c1	2312612141	CAHUJICLRCKHQQ-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
CCOC(=O)CC[C@@H]1NC(=O)OC1=O	59213755	FHBKACWGGGMHSG-YFKPBYRVSA-N	201.178	-0.035	50	10	BBGE	
Cc1cn([C@@H](C)C(=O)NN)nc1[N+](=O)[O-]	70218729	OIZNGJVGOWCPKS-YFKPBYRVSA-N	213.197	-0.349	50	10	BBGE	
C[C@@H](CN1CCOCC1(C)C)C(=O)NN	82470287	PUEIZFUYIAWFNV-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CO)CSC[C@H](C)C(=O)NN	85140678	CVDBUGZSYAPNAI-RQJHMYQMSA-N	206.311	-0.026	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@@H](N)C1	123832246	MZAABUMKGALDAF-GFCCVEGCSA-N	248.330	-0.248	50	10	BBGE	
O=C1CCCC[C@@H](C(=O)NNc2ncccn2)N1	193769972	DGWZUCQUQOFEKQ-QMMMGPOBSA-N	249.274	-0.022	50	10	BBGE	
C[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O	196685651	GTLILDHGLPSBEN-ZETCQYMHSA-N	208.022	-0.370	50	10	BBGE	
C[C@H](C(=O)NN)N(CCCO)C1CCC1	228568371	JZGPCIUHUUYEEX-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CC(C)(CNC(=O)NC(=O)CCCl)C(N)=O	230407345	LSFMIVWUUPFNDL-UHFFFAOYSA-N	249.698	-0.047	50	10	BBGE	
OC[C@@H]1CSCN1C[C@@H](O)CCl	238654444	FTKVLEXMAQXMKZ-RQJHMYQMSA-N	211.714	-0.047	50	10	BBGE	
O=C(O)[C@H](O)[C@H](Cl)[C@@H](O)CCl	238676680	XAHWGQOCEBZFQN-PZGQECOJSA-N	203.021	-0.361	50	10	BBGE	
NC(=O)NCCC(=O)NCCCCl	242862692	GGGOSXZQHQXPER-UHFFFAOYSA-N	207.661	-0.210	50	10	BBGE	
CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NN	252580368	QBDXTYHLBOPKAE-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1CSC(=O)N1	266793192	BQDDXNMEYNJYMS-BYPYZUCNSA-N	232.265	-0.886	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H]1CCO	304587400	RNAZZMGMJPAZRY-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
O[C@@H]1[C@@H]([C@H](Cl)CCl)O[C@@H](O)[C@H]1O	306421939	CGPKCWFLSGBABQ-FPRJBGLDSA-N	217.048	-0.728	50	10	BBGE	
Cc1ccnc(B(O)O)c1Br	306608889	XENPSMKLLJIICP-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)c1ccco1	308850303	RAPQIYQUUWRRCL-ZCFIWIBFSA-N	211.221	-0.222	50	10	BBGE	
CNc1ncc(C(=O)NN(C)C(N)=O)s1	309092287	CNKILTXYMPETDA-UHFFFAOYSA-N	229.265	-0.160	50	10	BBGE	
Cn1c(C=NNC(=O)CCO)c(Cl)[nH]c1=N	378864013	WRENBKFUVIBYTD-UHFFFAOYSA-N	245.670	-0.681	50	10	BBGE	
COc1cccc(CCC(=O)O)c1B(O)O	396030112	GYZHUNDYYBBBBK-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
CN(CC[S@@](C)=O)C(=O)NC(=O)CCl	398844982	LGPKIBRKTVPAQV-CQSZACIVSA-N	240.712	-0.228	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H](O)CC[C@H]2C1	398883170	XSYLVMXYLXVRPL-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CO[C@]1(CO)CCN(C[C@H](O)CCl)C1	401968982	JCOBHHQMWNUANU-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
O=C(Cn1ccnc1)Nc1cccc(B(O)O)c1	404934666	CBERNUCCOVKCGZ-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
CCCOCC(=O)Nc1ncc(B(O)O)s1	405014294	ZXLWQVHYFGHXAP-UHFFFAOYSA-N	244.081	-0.812	50	10	BBGE	
CC(=O)Nc1ccc(Cl)c(B(O)O)c1	405029491	MFGPSFHRUHGEMF-UHFFFAOYSA-N	213.429	-0.022	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)Cc1ccccc1B(O)O	688223547	PRILOWLWSAATKV-MFKMUULPSA-N	249.119	-0.167	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@H]2Cl)nn1	701472294	BCKXKUDCGBGOJB-UHNVWZDZSA-N	214.612	-0.838	50	10	BBGE	
CC(C)(CN1CC(n2cccn2)C1)C(=O)NN	707305180	AWZHMQZJZHRBPV-UHFFFAOYSA-N	237.307	-0.244	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1O	708158575	RWWGAFCWXKFEIV-IVZWLZJFSA-N	245.323	-0.918	50	10	BBGE	
CN(C(=O)c1cnn(C)n1)[C@H]1COC[C@@H]1Cl	709091762	ZXJXUCJXPLFILQ-XPUUQOCRSA-N	244.682	-0.107	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CSC[C@H]2C1	711524019	DCWRAFORFYNAHL-BWZBUEFSSA-N	215.322	-0.340	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCC3(CCC3)O2)n1	712419432	UWGSPMRBIZQMNW-SECBINFHSA-N	236.080	-0.335	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@@H](C)Cl)C1	714439216	NJHJBVSMVNPYGI-RXMQYKEDSA-N	221.640	-0.640	50	10	BBGE	
CC(C)(O)C1CCN(CCC(=O)NN)CC1	716495887	KDPNWESHCYHEEA-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
COc1nscc1CN(C)CCC(=O)NN	723206516	OVTDGVHZYHKJNE-UHFFFAOYSA-N	244.320	-0.037	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ccn(C)n1	723524814	VIHQMONCCCZSHG-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCB(O)O)C[C@@H](C)O1	724375722	MLLPEFRVNPVBSK-RNLVFQAGSA-N	215.058	-0.682	50	10	BBGE	
C[C@H](NC(=O)[C]1CC=CS1)C(=O)NN	725543746	UQJQFIPJYGCGIT-YFKPBYRVSA-N	214.270	-0.336	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@]1(C)CCCO1	755237326	KOMFHLWHAANYCK-SECBINFHSA-N	215.253	-0.094	50	10	BBGE	
C[C@H]1CN(C)CC1=NNC(=O)c1cn(C)nn1	853386115	UPRWWNNFSSSVLK-ZETCQYMHSA-N	236.279	-0.518	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)N(C)C	931120262	YHXAVZJCGVLWFQ-PHDIDXHHSA-N	201.226	-0.676	50	10	BBGE	
O=S(=O)(CCl)N1CC2(CCO2)C1	1260932314	OHFFVONPCUYIAE-UHFFFAOYSA-N	211.670	-0.013	50	10	BBGE	
C=CCOCC(=O)NNC(=O)[C@@]1(C)CCCO1	1324754650	CGCILCSMHCNHOE-LLVKDONJSA-N	242.275	-0.095	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1(CO)CCOCC1	1542414923	GVRDGBMXOZZZKQ-UHFFFAOYSA-N	245.279	-0.922	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)Cc1cc[nH]n1	1543223509	QEKGOQZNQROXIP-UFUPEUMYSA-N	238.247	-0.963	50	10	BBGE	
CC(=O)NNC(=O)c1cc(F)cnc1O	1587581633	GAKIAOPGTQUUGH-UHFFFAOYSA-N	213.168	-0.293	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1ccn(C)n1	1611267815	NWUBCQVCJKYDOH-QMMMGPOBSA-N	222.248	-0.099	50	10	BBGE	
N[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1877521787	XBMZRSDAANHRQN-HSNKUXOKSA-N	218.684	-0.154	50	10	BBGE	
O=C1NCC2(CN(C(=O)CBr)C2)N1	1882006935	IRYVLJBAWCDBNT-UHFFFAOYSA-N	248.080	-0.725	50	10	BBGE	
O=C(O)CNC(=O)NC[C@H]1C[C@H]1Cl	1883568214	UURDUWJVYZCDMD-RFZPGFLSSA-N	206.629	-0.003	50	10	BBGE	
O=C(O)[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883634403	JTCWAXVWZOFQJO-YUPRTTJUSA-N	207.613	-0.825	50	10	BBGE	
C[C@@H](O)[C@H](CO)NS(=O)(=O)CCCCl	1884626576	IUAMRJFJCFVSBJ-RQJHMYQMSA-N	245.728	-0.724	50	10	BBGE	
CO[C@H]1COC[C@@H]1NS(=O)(=O)CCCl	1884855017	ZQUZPVJLSIMQFO-BQBZGAKWSA-N	243.712	-0.442	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CO[C@@H]1CCOC1	1886079771	SYRIVRZBDANTAD-PRJMDXOYSA-N	200.238	-0.582	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1CCN(C)C1	1888051265	VONNNVPRDUYOCQ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1CCC(=O)NN	1890503479	KKYCLVCAKIZJDJ-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
OB(O)c1cccnc1N1CCSC1	1892080803	KVJZKTCRQNGVDI-UHFFFAOYSA-N	210.067	-0.728	50	10	BBGE	
NOCCCS(=O)(=O)NC[C@H]1C[C@H]1Cl	1893118836	KJBGVFLALRJJNZ-RNFRBKRXSA-N	242.728	-0.187	50	10	BBGE	
N[C@@H](CC(=O)NC[C@@H]1C[C@@H]1Cl)C(=O)O	1893120957	ZJMNPCGZDJAFQG-ZLUOBGJFSA-N	220.656	-0.468	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1CC(=O)NN	1893144673	SYJKQSJKAUIAQB-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
O=C(O)[C@@H](O)CCNC(=O)[C@H]1C[C@@H]1Cl	1893475452	UJYHVIVOSUORKX-ZLUOBGJFSA-N	221.640	-0.435	50	10	BBGE	
NC(=O)C1(N)CN(CC2CC(Cl)C2)C1	1893490520	IEUZUXJRUAORCG-UHFFFAOYSA-N	217.700	-0.498	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@H]1C2	1893840578	ABSBGLOETAVLHK-CSMHCCOUSA-N	211.265	-0.234	50	10	BBGE	
CN1CC[C@@H]1COC[C@H]1CC[C@H]1C(=O)NN	1899507570	ANYKLTBWJPGSNH-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CCN(C(=O)c1cnsc1B(O)O)C(C)C	1900466523	HKAUPHHZLJABFN-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1(CN)CC1	1901339242	KRYCQIKHTTYQCH-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C12CC(N)(C1)C2	1901373993	AQGBOWKLBFGMPQ-UHFFFAOYSA-N	247.320	-0.820	50	10	BBGE	
CC[S@](=O)Nc1cc(F)c(B(O)O)c(F)c1	1901987640	XIAWEUAMHHYHBI-INIZCTEOSA-N	249.047	-0.260	50	10	BBGE	
N#CC1(O)CCN(C2(C(=O)O)CSC2)CC1	1903927730	CNNNWVKMJIACHH-UHFFFAOYSA-N	242.300	-0.093	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2F)cc1B(O)O	1907455440	IWKMBCGLDOCZJL-SCZZXKLOSA-N	237.039	-0.029	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1909261213	LQPUSFKDYLYPEZ-SGIHWFKDSA-N	245.298	-0.329	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	1913610037	LOEIAGHTSUDKET-HTQZYQBOSA-N	234.064	-0.254	50	10	BBGE	
Cn1nnc(CN[C@@H]2COC[C@@H]2CCl)n1	1928743421	HYUGVORZZPXILB-NKWVEPMBSA-N	231.687	-0.447	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1931413481	RKDVUPKFUKBHGZ-KDXUFGMBSA-N	213.281	-0.933	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936095470	XKYXZNRDZHBNNP-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1CCOCC(=O)NN	1936532165	VSAZIFQRFLOSFN-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CON(C[C@H]1CC[C@@H](C(=O)NN)O1)C(C)C	1937112239	AECCPERBLXTCPV-BDAKNGLRSA-N	231.296	-0.204	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941074624	SXEMZBAGZQWMOM-IEBDPFPHSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C[C@H]1C[C@H]1C(=O)NN	1941088658	RTHKKKHZURFKFR-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@@H](O)[C@H](F)C1	1944307837	KWFRXFOMRUBOJY-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
CC(C)CNC(=O)Nc1cc(B(O)O)ccn1	1946709754	PWIKMCLEAJABCR-UHFFFAOYSA-N	237.068	-0.461	50	10	BBGE	
C[C@H](CN1CC[C@H]([C@H]2CCOC2)C1)C(=O)NN	1947535010	CNDVOWLHIYRGCQ-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
COc1ccnc(O)c1[C@H](N)[C@H](O)C#N	1953061896	ZQOIYTYLDGZQFR-SVGQVSJJSA-N	209.205	-0.320	50	10	BBGE	
NC(=O)[C@@H]1COCCN1CCBr	1953623728	XOQRULRUDQXAND-LURJTMIESA-N	237.097	-0.433	50	10	BBGE	
CCCSc1ncnc(C)c1B(O)O	1956965826	MOJHMTGFHBIDQF-UHFFFAOYSA-N	212.083	-0.033	50	10	BBGE	
C[C@H](Cl)C(=O)NC1[C@H]2CS(=O)(=O)C[C@H]12	1957281413	QXCBSPOLVPASOG-ZLUOBGJFSA-N	237.708	-0.227	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnco1	1959175850	AVFIGAXCSNRKGW-MRVPVSSYSA-N	212.253	-0.125	50	10	BBGE	
CCS(=O)(=O)N1C[C@H](C)OC[C@@H]1N=C=O	1960421143	QBYXWWLSLPRODY-JGVFFNPUSA-N	234.277	-0.281	50	10	BBGE	
C[C@H](N=[S@](C)(=O)N1CCCC1)C(=O)NN	1960619012	UGTKQHRTAWXVJK-ZIDLFYJRSA-N	234.325	-0.527	50	10	BBGE	
COC[C@H](O[C@H]1CO[C@H](C)C1)C(=O)NN	1961628864	MEENZNQPUDBPGG-PRJMDXOYSA-N	218.253	-0.815	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@H]2C[C@H]2C(=O)NN)CO1	1961629279	OSCOESKXVNHYNT-LURQLKTLSA-N	214.265	-0.194	50	10	BBGE	
CC(C)N1CC[C@@H](N(C)[C@@H](C)C(=O)NN)C1	1976575914	LDMYWKRYDXMVCX-VHSXEESVSA-N	228.340	-0.221	50	10	BBGE	
C[C@H]1CC[C@@H](CCn2ccc(B(O)O)n2)O1	1977037367	AMSYFBPNNKKPBK-IUCAKERBSA-N	224.069	-0.480	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C[S@@](C)=O)C1	1979480015	MKYLWPXFWKKWTQ-BVEWNFNHSA-N	247.364	-0.689	50	10	BBGE	
O=C1CC2(CN1)CN(C(=O)NC(=O)CCl)C2	1982987228	WPKJTQKUNYLREB-UHFFFAOYSA-N	245.666	-0.717	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2CF)n1	1986084924	QIAXANPVQAJYGD-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
NNC(=O)CCN1CCC[C@]2(CC[C@@H]2O)C1	1986978205	YEDCFJAWQUWUMW-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2COC[C@@H]21	1987063339	YYEHFBRKXMIZJP-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@H]2CC[C@H]21	1990771948	DLMFFVNIRTZLHY-MYJAWHEDSA-N	225.292	-0.259	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C#N)C1	1990774137	FFNGRHZHIOWSAW-SECBINFHSA-N	224.264	-0.611	50	10	BBGE	
C[C@H]1CN(C(=O)C=CC(=O)Cl)C[C@H](CO)O1	1991647430	DIGCHULBVJUBEG-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1991682009	GGNKKIHORIPUKO-KVPKETBZSA-N	245.710	-0.725	50	10	BBGE	
CCOC1(C)CCC(NC(=O)C(=O)NN)CC1	1998415818	NPMUWBRWCVRDTF-UHFFFAOYSA-N	243.307	-0.170	50	10	BBGE	
CN(C[C@@H]1CC2(CCC2)CO1)C(=O)C(=O)NN	2001650194	YVUQQJGXHHRBJF-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)CCN1CCCN(C2CCC2)CC1	2003612086	CDPPDQOSGGBPBT-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@H]1C[C@H]1C(=O)NN	2003784255	IFPBCSIGAKIFFO-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2004936323	YAJAQURDTIIAQW-JZYVYDRUSA-N	232.092	-0.004	50	10	BBGE	
CN(Cc1ccccn1)c1nc(B(O)O)cs1	2005016776	UYAIMUGYBIQPLE-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2CC[C@H]2C)n1	2005017871	LIAYDLFBSUFHNG-XCBNKYQSSA-N	235.096	-0.300	50	10	BBGE	
CCN(CC)[C@H](C)COCCOCC(=O)NN	2007009126	SVZBPOHFSUSQNL-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CO[C@@H]1[C@@H]2CCN(C(=O)C(=O)NN)[C@H]2C1(C)C	2008773394	UCGFWFZNKXUHKQ-BWZBUEFSSA-N	241.291	-0.752	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](C2(O)CC2)C1)C(=O)NN	2013933701	QZGJYFJZKLCMDD-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)C(=O)CO1	2018697990	LZNNAYDXUMXNEJ-SFYZADRCSA-N	241.291	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N(C)C)[C@@H]1C	2019211861	RFXHQLNLHXRWON-WCBMZHEXSA-N	242.323	-0.822	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)[C@@H]1CCCCO1	2020063117	VZXCTZIVCAYFPB-UWVGGRQHSA-N	241.096	-0.124	50	10	BBGE	
Cc1cc(C)c(C(=O)NCC=CB(O)O)cn1	2020068576	SQGYYLCCNHEPGE-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
C=C(CN(C)CC1(F)COCCOC1)B(O)O	2021159357	RKBHQOWWABZLLB-UHFFFAOYSA-N	247.075	-0.759	50	10	BBGE	
C=C(CN1CCO[C@@]2(CCCOC2)C1)B(O)O	2021162098	BNMRLZQQSNSHOY-NSHDSACASA-N	241.096	-0.564	50	10	BBGE	
OB(O)c1cccc(CN2CC(N3CCC3)C2)c1	2034792840	AVKSLFPDXPYFEJ-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2cncnc2)c1	2058407977	JXHNZHCAALPVQW-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCOc1c([N+](=O)[O-])ccc(B(O)O)c1C=O	2060146743	VQLSYDZOFSODCO-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	2079519615	PHSOAKYPXRWGLG-ZJUUUORDSA-N	248.091	-0.008	50	10	BBGE	
OB(O)c1csc(Cn2cncn2)c1	2209685525	DQLTXHBZWQGMPZ-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
COc1cnn(Cc2cscc2B(O)O)c1	2211136935	YEBQXRMLPBOJDR-UHFFFAOYSA-N	238.077	-0.319	50	10	BBGE	
OB(O)c1ccn(CC2(F)CCOCC2)n1	2212152078	ITWAMLPHZHRSFL-UHFFFAOYSA-N	228.032	-0.918	50	10	BBGE	
CCN1CC[C@@H](O[C@H](COC)C(=O)NN)C1	2212259267	COPLZDBBOLNJRJ-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1CSC[C@H]1Nc1ccc(B(O)O)cn1	2212602824	KGZABGVFZDHJDY-VXNVDRBHSA-N	238.121	-0.075	50	10	BBGE	
C#CCC(C)(C)Oc1ncc(B(O)O)cn1	2212608007	FXZKXSUOACDDOK-UHFFFAOYSA-N	220.037	-0.663	50	10	BBGE	
C#C[C@H](CCC)Oc1ncc(B(O)O)cn1	2212608008	FYIXOTBKQJHJHJ-SECBINFHSA-N	220.037	-0.663	50	10	BBGE	
C=C1CC(C(=O)Nc2ncc(B(O)O)cn2)C1	2214658172	JADHDMTVTVYTGB-UHFFFAOYSA-N	233.036	-0.939	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]2C1=O	2215774162	WARSIBIWWCEJMT-XUTVFYLZSA-N	237.259	-0.993	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNc1ncccc1B(O)O	2217171562	CCYCYJPZSMQYKV-BDAKNGLRSA-N	238.096	-0.420	50	10	BBGE	
CCC[C@@H](CCO)Nc1ncccc1B(O)O	2217201025	NQSMUPNWDWZKID-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2223645213	UETYXHYFUJPZHS-KOLCDFICSA-N	249.123	-0.533	50	10	BBGE	
CCC1(N)CCN(c2cc(B(O)O)ccn2)CC1	2223665312	ALMIFBZVWOHVNE-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2c2ncon2)c1	2223679802	UPTGIFJHLWBPMY-QMMMGPOBSA-N	246.035	-0.904	50	10	BBGE	
O=S(=O)(NC1(CO)CC1)N1CC(Cl)C1	2241338473	NBKUFCCEUXEIIG-UHFFFAOYSA-N	240.712	-0.731	50	10	BBGE	
CCN(O)C(=O)c1csc(B(O)O)c1	2241471502	JUNBUOOUQOYFEK-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@H]1C[C@@H]1B(O)O	2241496987	YGGSNKQIJLKRDZ-AXMZGBSTSA-N	217.461	-0.407	50	10	BBGE	
CN(CCN)S(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241666899	BWRIDIHJKKLVPP-LJGSYFOKSA-N	241.744	-0.519	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2241730522	ZFZWGIBCBFOILZ-LYFYHCNISA-N	203.022	-0.334	50	10	BBGE	
CCOC(=O)CNC(=O)C1(B(O)O)CCC1	2243347518	MZIRZAPLLJLSOO-UHFFFAOYSA-N	229.041	-0.937	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2243349914	SJYXBHMHAUZUTE-XNCJUZBTSA-N	223.037	-0.594	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1nscc1B(O)O	2243349997	UDAOWMGBPWELCI-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CO1	2243364142	RVFVCNGSFRNSBR-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
CN(C)NC(=O)c1ccc(Cl)cc1B(O)O	2243367069	NGHFOPKRUJVOIQ-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
O=C(NCC1(CO)CC1)[C@H]1C[C@@H](B(O)O)C1	2243382086	LKXFRCAGCIVXEM-OCAPTIKFSA-N	227.069	-0.872	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)C1CC(B(O)O)C1	2243396565	NVJXLCXORIOWIQ-FDNDLASISA-N	229.060	-0.039	50	10	BBGE	
CN(CCC#N)C(=O)c1ccsc1B(O)O	2243397391	ABPGWKLAWNCALK-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
Cc1ccnc(NC(=O)C#CB(O)O)c1C	2243400244	XZBLGNQWAYBSMB-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2243401742	WBKBIQADFLXPJM-YBSMEWOOSA-N	219.049	-0.885	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](CO)C1)C1(B(O)O)CC1	2243410557	DGLKEUAAZJOPAU-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417604	UZIRMHDPQNPYLV-MAUMQABQSA-N	227.069	-0.610	50	10	BBGE	
C[C@H](CO)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243419513	ASRKOAHLLIEKNE-FNCVBFRFSA-N	229.085	-0.628	50	10	BBGE	
C[C@H](COC(F)F)NC(=O)[C@H]1C[C@H]1B(O)O	2243425676	AUSKTWBOWUYCIZ-NGJCXOISSA-N	237.011	-0.407	50	10	BBGE	
C=CC(=O)N(C)[C@@H](C)c1nscc1B(O)O	2243666893	CZOYGRKHOCHNSE-LURJTMIESA-N	240.093	-0.472	50	10	BBGE	
O=C(NC1CC(Cl)C1)C1CN(C2CNC2)C1	2243736006	RKJQZTJSGXHBMK-UHFFFAOYSA-N	243.738	-0.224	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cocc1B(O)O	2244206274	UIWTYDZPJZPNNX-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C(F)F	2244222620	VICGUTNPUNUZCY-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
COc1ccc(B(O)O)c(N(OC)C(C)C)n1	2247234906	HTXIBTHSYRCLSG-UHFFFAOYSA-N	240.068	-0.454	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1coc(B(O)O)c1	2247731947	BDLAYDHXAYQFKK-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C[C@@H]2C1	2247732579	HTDIHIAXKAYICD-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247734640	UYODGGLAFWILQX-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2OCC[C@H]2C1	2247742059	KCYBAWKNTXRWET-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1ccoc1B(O)O	2247743512	FBAJUACBDQZURY-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1occc1B(O)O	2247754941	OCRYQIZLIACZRH-ZXFLCMHBSA-N	235.048	-0.512	50	10	BBGE	
C=C(C)CNC(=O)c1cc(F)ccc1B(O)O	2247759061	NSHXADRQEPVXCA-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ncncc1B(O)O	2247771571	MNJSOBURRTXMGJ-SSDOTTSWSA-N	237.068	-0.925	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787643	ROSRACZWYJLKSE-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)C2CC2)oc1B(O)O	2247789184	RFEGBTKFIAEEPN-ZETCQYMHSA-N	237.064	-0.204	50	10	BBGE	
O=C(NCCCNC1CC1)[C@H]1C[C@H](B(O)O)C1	2247799279	BLTWOQMZJLVBNF-KYZUINATSA-N	240.112	-0.502	50	10	BBGE	
CC(C)N(C)C[C@@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247799419	CXECHFUHGUJVLJ-KXUCPTDWSA-N	242.128	-0.306	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247804705	HYIHPVPQJQTFBU-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
CC[C@H](O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806576	GBKJOUJQQFJNCJ-GUBZILKMSA-N	243.112	-0.093	50	10	BBGE	
CC1(C)COCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247809962	SQEJQHNDUIRXKS-HLTSFMKQSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)CC12CC(CNC(=O)C#CB(O)O)C2	2247847481	XVECYEVRRSCZGY-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
C=CCCCNC(=O)c1ncccc1B(O)O	2247853115	GNLOFRIEZYQBBC-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1ccoc1B(O)O	2247867172	ZVVBNELZRUIVAS-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1	2247868925	ZRBQQABIWGPJAV-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
CCOCCOCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247899616	OTVNNTXQRXHFOA-BDAKNGLRSA-N	245.084	-0.981	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N(C)C	2247900116	UBYBSVPIHGPHDK-UTLUCORTSA-N	242.128	-0.304	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3CC[C@H]3C2=O)CC1	2248080702	JJCVQHCTDGEUDI-KNVOCYPGSA-N	237.259	-0.849	50	10	BBGE	
C=CCC(=O)N1CCc2cccc(B(O)O)c21	2248398803	WEZCCBKYIUKWMA-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C(=O)O	2248575322	BAEHSUDMQOCRAI-XUTVFYLZSA-N	241.052	-0.972	50	10	BBGE	
CCN(CCCCC(=O)O)C(=O)C#CB(O)O	2248587058	LAKBLBKMRRFGOM-UHFFFAOYSA-N	241.052	-0.895	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cocc1B(O)O	2249417411	FXDRNJMKYSMZPG-QMMMGPOBSA-N	233.032	-0.803	50	10	BBGE	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NCCC#CB(O)O	2249999488	WKBIVNBUDYIKMH-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1c1cc(B(O)O)ccn1	2251010190	PHODHBMTUIUSPQ-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cncnc1OCc1cccnc1	2253406052	HPFFDQZRJBZPEZ-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@H]2C1	2255444779	PEGAELGYAYHKCH-BDAKNGLRSA-N	249.075	-0.250	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1cc(B(O)O)c[nH]1	2255464598	YOACKLMRHQELFF-UHFFFAOYSA-N	248.091	-0.386	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1ccoc1B(O)O	2255464862	BTDJBGQENLKYRQ-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
CCC/C=C/CNC(=O)c1ccc(B(O)O)cn1	2255524612	YESTWRSYYQBUJX-SNAWJCMRSA-N	248.091	-0.153	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255554137	ISAPOMSBJKFIPI-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)cc1C	2255677244	FAGOQCJMGFRLSF-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1ncccn1	2255677631	JVCFVDIXEAQWAJ-UEJVZZJDSA-N	249.079	-0.093	50	10	BBGE	
C#C[C@H](C)CNC(=O)Nc1cccc(B(O)O)c1	2255890928	RJPBTXIPIBRTBP-VIFPVBQESA-N	246.075	-0.243	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1ccc(B(O)O)cc1	2255912937	ZGKRVYPMYPOCSB-SNVBAGLBSA-N	246.075	-0.100	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2ccc(B(O)O)cc21	2256598265	NYTLVIDVGLKUKG-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
COc1cnccc1C(=O)NCCC#CB(O)O	2258956770	GYELYUQDSRYUFM-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CC2)c1n[nH]cc1B(O)O	2260530728	IXYPWHOAVYKBAF-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2298107560	BCZNDFWYSJBSTP-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)[C@H]1C	2298369789	FMQHXBSTHUTOKL-OFPUPOEVSA-N	239.080	-0.121	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2298370024	LMLMYNIBAKVTSX-VFCFLDTKSA-N	239.080	-0.610	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371897	YXNKVIXAIQDDRV-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
C#CCCOC(=O)Nc1cc(B(O)O)ccn1	2300783815	KFJGTUDCKIQFLM-UHFFFAOYSA-N	234.020	-0.667	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCc2cnccn2)C1	2303118698	DAVGQTXLWCJEBR-NSHDSACASA-N	235.096	-0.042	50	10	BBGE	
C=C(CN(C)CCn1cc(CC)cn1)B(O)O	2304976559	WIAFDBKZOLJWRJ-UHFFFAOYSA-N	237.112	-0.055	50	10	BBGE	
CCOC(=O)/C(C#N)=C\Nc1[nH]ncc1C(N)=O	5607311	DPZSHGBSRGEFNS-XQRVVYSFSA-N	249.230	-0.109	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NN	42452329	BWGOHYDIGZNVBI-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
Cn1cnnc1CNC(=O)NC(=O)CCl	50421904	ZQMVGHLQSVMMRE-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNCC2)s1	82469774	SELABADVOWCCMC-UHFFFAOYSA-N	240.332	-0.243	50	10	BBGE	
NNC(=O)CCCN1CCN2CCC[C@@H]2C1	86933495	YDKFBOCCYMAOGK-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CSC	89995204	NKFQEJQGPXQJKT-NKWVEPMBSA-N	232.305	-0.078	50	10	BBGE	
N#CCN(CC#N)Cc1cc(C(=O)NN)co1	104121302	BLOCWUXPFSHGNH-UHFFFAOYSA-N	233.231	-0.268	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC[C@@H]2CCOC2)O1	110566893	ZKBJCHPAMBYCKP-UTLUCORTSA-N	244.291	-0.423	50	10	BBGE	
O=C1[C@@H]2CCCN2C(=O)CN1C[C@@H](O)CCl	163076910	RXVALWJPEMBAKG-YUMQZZPRSA-N	246.694	-0.581	50	10	BBGE	
COc1nc2ccn(C)c2cc1B(O)O	201588955	FQQNBFVWDZFQKH-UHFFFAOYSA-N	206.010	-0.738	50	10	BBGE	
Cn1cnn(CCCCCC(=O)NN)c1=O	211763954	VRAMYOAORFXIED-UHFFFAOYSA-N	227.268	-0.868	50	10	BBGE	
Cc1cc(OCc2ncnn2C)ccc1B(O)O	216048212	MMFRQERFGRZGKF-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CC[C@H](N)C(=O)N1CCCC[C@H]1B(O)O	222268757	JSNFEIRIDQHISK-YUMQZZPRSA-N	214.074	-0.883	50	10	BBGE	
C[C@H](SC[C@@H](O)CO)[C@@H](C)C(=O)NN	226250637	FFAFLHMBJVIAKA-VQVTYTSYSA-N	222.310	-0.913	50	10	BBGE	
NNC(=O)c1cn(-c2ccc3c(c2)OCO3)nn1	229014294	BQFFYEPGIDMHSD-UHFFFAOYSA-N	247.214	-0.401	50	10	BBGE	
O=S(=O)(CCCl)NCC1(CO)CC1	232300721	PKJCGCNBNPVHRT-UHFFFAOYSA-N	227.713	-0.083	50	10	BBGE	
CNC(=O)CNC(=O)[C@H](C)Br	234338945	UXBFAOIYQSGDEB-BYPYZUCNSA-N	223.070	-0.368	50	10	BBGE	
C[C@]1(N2CC(=O)OC(=O)C2)CCCOC1	235750873	MHAILRIYXZFNNW-JTQLQIEISA-N	213.233	-0.059	50	10	BBGE	
CC(CO)(CO)NC(=O)C(Cl)Cl	238203152	DGSRBKPJMVPIIC-UHFFFAOYSA-N	216.064	-0.350	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@](C)(O)C1	253084185	YNVSZUAOPVKODL-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CN1CC[C@@H](NC(=O)CCNC(=O)CCl)C1	258840268	XNQGIIHGFQROQH-MRVPVSSYSA-N	247.726	-0.448	50	10	BBGE	
COc1cc(C)nc(NNC(=O)CC(N)=O)n1	266970164	WNVHHCOKWCXECK-UHFFFAOYSA-N	239.235	-0.888	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)NNC(N)=S	306163565	HOFLPKVAXOXXPD-RFZPGFLSSA-N	202.283	-0.168	50	10	BBGE	
O=C1CCOCCN1C[C@H](O)CCl	307729600	GBZQDLPYNBEVMH-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
CCn1ncc2cc(B(O)O)ccc2c1=O	309278213	HPKSJELQGHXKSX-UHFFFAOYSA-N	218.021	-0.904	50	10	BBGE	
OB(O)c1ccccc1OCO[C@@H]1CCOC1	379859303	JAOYMWAVKAPFCX-SECBINFHSA-N	238.048	-0.492	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@H]3C2)O1	380336330	HBYHGKNTXMGMOT-QEYWKRMJSA-N	225.292	-0.524	50	10	BBGE	
CC[C@H](C)[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396536977	XQDVXZZYBMEICM-UWJYBYFXSA-N	237.108	-0.227	50	10	BBGE	
Cc1ncc(CN(C)CC(=O)NN)s1	400074512	QPTXEAQERHHPCR-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
OCc1c(B(O)O)ccc(F)c1S	575706222	UAWMSRQZXGUFPC-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
OB(O)c1cccc(CNCC2COC2)c1	585048708	CMBCLPAEUOAKPM-UHFFFAOYSA-N	221.065	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]([C@H](C)O)C1	688916348	MEUKCORJFICKSE-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(F)CC1	689093224	UQUVXUVGBDPHSL-QMMMGPOBSA-N	219.260	-0.575	50	10	BBGE	
Cc1nn(C[C@H](O)CCl)c(=O)n1C	691755124	YIKOJSBMRRPOSM-ZCFIWIBFSA-N	205.645	-0.510	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@@H](C2CC2)C1	691778784	IWICAKMBJSGNCN-DTWKUNHWSA-N	213.281	-0.524	50	10	BBGE	
N#CC1(O)CCN(Cc2cnc(N)cn2)CC1	692086619	QKTSXEQEWBKNIR-UHFFFAOYSA-N	233.275	-0.091	50	10	BBGE	
CN1CC(CN(C)C(=O)NC(=O)CCl)C1	692187654	MYUNQLAVEFWLFJ-UHFFFAOYSA-N	233.699	-0.045	50	10	BBGE	
OB(O)c1ccc(OCc2cnccn2)cc1	693541389	LTOLOIJMBAZVDG-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CO)C1	694664333	ZVMPIVJMCNBQEO-HOSYDEDBSA-N	243.351	-0.049	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@H]1C1CC1	699065257	YYHKDHBEWIQRGE-VHSXEESVSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(N2CCC2)CC1	700439224	VSWNMYDUNLKEOW-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
O=C(CCOCC(F)(F)F)NCB(O)O	702007067	NJKQGHKZUARKTM-UHFFFAOYSA-N	228.963	-0.916	50	10	BBGE	
C[C@@]1(C(F)F)CN(CCC(=O)NN)CCO1	705014391	GZMQQQQSQXMVCN-VIFPVBQESA-N	237.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C[C@H]1C	706206901	KASNZWKFNASLCT-KATARQTJSA-N	229.324	-0.154	50	10	BBGE	
COc1ccc(CN2CC[C@H]3C[C@@H]32)cc1B(O)O	706927281	GJEZLAUNXCUCQZ-JQWIXIFHSA-N	247.103	-0.031	50	10	BBGE	
O=C(CC1CC1)NCc1ncc(B(O)O)s1	714619400	PIFHTTYSKCOFHU-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@H]3C[C@@H]3C2=O)n1	715553578	YCHZHICUXFXXJY-APPZFPTMSA-N	246.270	-0.337	50	10	BBGE	
C[C@@H]1[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1C	719595992	CSVBJACMOLCXLR-IMSYWVGJSA-N	238.287	-0.005	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)[C@@H](C)CO	823902679	SKJYACZQQAJOSK-XHNCKOQMSA-N	244.291	-0.471	50	10	BBGE	
CO[C@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)C1	857105184	GFDCXSLGXINREM-BDAKNGLRSA-N	243.307	-0.490	50	10	BBGE	
CNC(=O)C1(C(=O)NN=c2cc[nH]cc2C)CC1	862505029	VHVWYQBFYINRPR-UHFFFAOYSA-N	248.286	-0.219	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H](C)c1cncnc1	910152699	MZLBPPRISRASMZ-IUCAKERBSA-N	238.291	-0.076	50	10	BBGE	
OC[C@H](O)CN1C[C@H]2[C@H](Br)[C@H]2C1	931753553	RKBMHOCQFJIFRX-NGJRWZKOSA-N	236.109	-0.335	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1136416111	BLHBPNIPLQEBGI-RNFRBKRXSA-N	237.263	-0.137	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC12CC2)c1cnn[nH]1	1144480278	MBKGGMQNQHFALJ-YFKPBYRVSA-N	221.220	-0.634	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC[C@H]1C[C@@H]1Cl	1877393581	IAPORFVSXXTIBI-VGRMVHKJSA-N	218.684	-0.154	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)CCOC	1881940567	FFBOGSDTZCYDSH-SSDOTTSWSA-N	225.697	-0.207	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883645536	PTHIZCVTXADXGG-AXMZGBSTSA-N	207.657	-0.528	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)CBr)C[C@H]21	1883971314	QVZNZMZESSZDFR-KCQQBQQISA-N	247.092	-0.429	50	10	BBGE	
O=C(CCl)N1C[C@H]2COC[C@@H](C1)[C@H]2O	1887850739	QOCGQZAUZCJFER-SRSLHRDFSA-N	219.668	-0.309	50	10	BBGE	
CN(C)CC1(O)CN(C[C@H](O)CCl)C1	1892497342	ODHHGQMOKAVTTN-MRVPVSSYSA-N	222.716	-0.806	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccsn1	1892924654	PXGXETQFVUQAIM-UHFFFAOYSA-N	212.039	-0.559	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCC[C@@H](C)O	1899892421	QJWCEBIQTAZJEM-MRVPVSSYSA-N	231.296	-0.754	50	10	BBGE	
Cc1nccn1CCO[C@@H](C)CC(=O)NN	1900901501	VAVUPFQSWWCKGN-QMMMGPOBSA-N	226.280	-0.023	50	10	BBGE	
C#C[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	1901237646	MZIIIFXFJBPCKC-QMMMGPOBSA-N	218.017	-0.421	50	10	BBGE	
N#CC1CN(C(=O)N2CC[C@H](B(O)O)C2)C1	1902548554	NWYHLNAGYSKGJM-QMMMGPOBSA-N	223.041	-0.890	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907249405	CEKFKIZZEFEASK-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
N#CC1=CCN(C(=O)N[C@@H](CO)C(=O)O)CC1	1917056816	NIEUYLJUXLVIFN-QMMMGPOBSA-N	239.231	-0.703	50	10	BBGE	
C#CCN(CCC)CC(=O)NNC(C)=O	1928163283	BFMGRJPYKXWWTN-UHFFFAOYSA-N	211.265	-0.501	50	10	BBGE	
CN1C[C@H](NCc2nncn2C)[C@H](Cl)C1	1928753428	QFNWNACCJQZNHT-SFYZADRCSA-N	229.715	-0.174	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC[C@H]1CCl	1929731165	JOPNLCLUIVCZBJ-YFKPBYRVSA-N	242.684	-0.100	50	10	BBGE	
C[C@H]1[C@H](CN(C)CC(=O)NN)C1(F)F	1933036426	SULUEPXFXWBYTO-WDSKDSINSA-N	207.224	-0.191	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1938474498	PRVCDLRLHLFZHB-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C[C@@H](C)O1	1941771871	AMKJLKQELJKZDJ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COCC[C@@H](C)Oc1cnc(C)c(B(O)O)c1	1944011969	WLTBYPKBFARKGP-MRVPVSSYSA-N	239.080	-0.126	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)C2(CC2)C1	1944613880	XIZMJTQHCLWMFD-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
CC(C)(C)COCCn1cc(C(=O)NN)nn1	1945593800	PDQLJUSIEUMJDB-UHFFFAOYSA-N	241.295	-0.056	50	10	BBGE	
CCC[C@@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1945891807	IPJNGIDYSNSNSI-GFCCVEGCSA-N	241.335	-0.007	50	10	BBGE	
CO[C@H](CCO)CNS(=O)(=O)CCl	1953949263	HSUAAXPLHATKRP-ZCFIWIBFSA-N	231.701	-0.501	50	10	BBGE	
O=C(CCl)N1CCN(C2COC2)CC1	1956735598	QMUDKGOMUBNVNP-UHFFFAOYSA-N	218.684	-0.232	50	10	BBGE	
CC1(C(=O)NNCCO)CCOCC1	1957141333	ZVFGQBKTTVMBEW-UHFFFAOYSA-N	202.254	-0.584	50	10	BBGE	
NNC(=O)CCN1CC(F)(F)C[C@@H]1CO	1958320440	AVIYOHRUGZVSMG-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncon1	1958699929	SYNCOWSTMKSFSY-LURJTMIESA-N	213.241	-0.730	50	10	BBGE	
Cc1ccnc(N2CC(C)C2)c1B(O)O	1961691271	NNLBOZXBAGBTIU-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ncncc1B(O)O	1961778106	LXAPLTJFJKWLDG-SVRRBLITSA-N	207.042	-0.999	50	10	BBGE	
CN(Cc1ncno1)C[C@H]1C[C@@H]1C(=O)NN	1976745334	LEPRLQYZQXNNCA-RQJHMYQMSA-N	225.252	-0.873	50	10	BBGE	
CON(CCCC(=O)NN)C1CCOCC1	1978745995	NAEDNBOYKSAQRX-UHFFFAOYSA-N	231.296	-0.201	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@H]1CO	1978945601	UXQUZDHPZVPSGS-BBBLOLIVSA-N	229.324	-0.437	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCC[C@@H](O)C1	1980520673	OWXPDAQEVLOCHX-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
NNC(=O)CN1CCOC[C@@H]1c1ccco1	1981092152	WSBHGSNOQRVZJI-MRVPVSSYSA-N	225.248	-0.357	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1CCCO1	1981429232	BMGLKTVHKBTEQL-QMMMGPOBSA-N	223.037	-0.681	50	10	BBGE	
Cc1nn(-c2ccncc2B(O)O)cc1Cl	1981464443	CWOKYBDIKUCELP-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CCN(CCN(C)C)c1nc(B(O)O)cs1	1981468896	JPQFZZXZIXGXDM-UHFFFAOYSA-N	243.141	-0.789	50	10	BBGE	
CN(C)CCCOc1ccncc1B(O)O	1982842786	YSRVHQLKTLITBH-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
CN(C[C@H]1C[C@@]1(C)C(F)F)C(=O)C(=O)NN	1983684776	DHHNJNKNUWLXPB-MLUIRONXSA-N	235.234	-0.274	50	10	BBGE	
CCN(CC)[C@H](C)Cn1cc(B(O)O)cn1	1983813477	YLKQPJTWLRECKN-SECBINFHSA-N	225.101	-0.707	50	10	BBGE	
CC[C@H](C(F)F)N(C)[C@H](COC)C(=O)NN	1984220726	VREZJADFQBZLPF-RNFRBKRXSA-N	239.266	-0.033	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]2C[C@H]2CO1	1984446139	DBDYZZBHLFFXLL-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
COc1ccc(B(O)O)c(COCCF)c1	1985994464	BEZXJJSFKUTSMT-UHFFFAOYSA-N	228.028	-0.139	50	10	BBGE	
Cc1ncnc(OC(CF)CF)c1B(O)O	1985996197	AAVKNXYHVMLINW-UHFFFAOYSA-N	231.995	-0.849	50	10	BBGE	
CO[C@H](C)COc1ncc(B(O)O)cc1F	1986052452	WVXUQXNGQBCXLU-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
C[C@@H](CN)SC[C@H]1CCC[C@H](C(=O)NN)O1	1990164566	PDABBFSZNFTRAO-DJLDLDEBSA-N	247.364	-0.006	50	10	BBGE	
CC[C@@]1(F)CCN(CC(=O)NNC(C)=O)C1	1990777017	SIQCEPVPECFHPM-SNVBAGLBSA-N	231.271	-0.022	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@H]1Cl	1991680654	SDVRHZURVYSJMJ-CAHLUQPWSA-N	240.455	-0.673	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)[C@H](C(=O)O)CN1	1991681390	AEOFBBFEWXPTEJ-PBXRRBTRSA-N	246.650	-0.975	50	10	BBGE	
N=C(NO)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)CCO1	1991684486	DPRCXRICHFYQFK-QYNIQEEDSA-N	247.682	-0.203	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1991702922	AGRUDHLXJXWBSI-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	1992538384	XGXBOLDMQVIJIB-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](O)CN(CC(=O)NNC(C)=O)C1CC1	1999959834	ZDXAYYYFGCAQSN-JTQLQIEISA-N	243.307	-0.611	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(n2ccnn2)C1	2003859058	STQKNNGBBFUPRX-SECBINFHSA-N	238.295	-0.851	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCOCC2(CC2)C1	2004238181	LAMOXQBWDMLMJZ-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)[C@@H]1CCNC1=O	2004314849	UKAJVDSXVPTQJI-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)c2ncc(B(O)O)cn2)C1	2004919498	ZRFSGFRPAPVRQL-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC[C@H]2CO)C1	2010832346	HKIDHDLRPLNGPI-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
Cn1ccn(C[C@H]2CC[C@H](C(=O)NN)C2)c1=O	2010833801	VRABEMNQEPAFJH-IUCAKERBSA-N	238.291	-0.407	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	2011901494	YHALDLUNTMXCEW-SECBINFHSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](F)C2	2017215952	WMZLGXNLUNMCNT-QEYWKRMJSA-N	245.298	-0.044	50	10	BBGE	
C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)NN	2017508964	XZHIBYFQGGZWGM-SSDOTTSWSA-N	237.259	-0.099	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(OC(C)(C)C)C1	2019214194	YLYUFAJLKILJQU-UHFFFAOYSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)CC(=O)N2	2026528761	HZKLQIWRKGCBJB-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1[C@@H]2CC[C@@H]12	2041997319	NXBQROPKLKBQCY-NXEZZACHSA-N	245.087	-0.361	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@@H]3C[C@H]32)n1	2052624123	DALQKNKLQIOJRJ-NXEZZACHSA-N	247.107	-0.238	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)Cc2ccoc2)n1	2052626063	SGNPFUZGZQONSY-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(C=O)c1B(O)O	2060268203	JDVWYZZRTUQGCJ-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
Cc1cnc(N[C@@H]2CCOC2)cc1B(O)O	2212603218	DPLKPFQNNKEPQJ-MRVPVSSYSA-N	222.053	-0.729	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1ccc(B(O)O)cn1	2212606747	ZGJZWUWBWZHKST-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
C=CCCOC(=O)Nc1cccc(B(O)O)n1	2216301132	PTBQHRQERCLYJK-UHFFFAOYSA-N	236.036	-0.114	50	10	BBGE	
C[C@@H]1CO[C@@H](CNc2ccc(B(O)O)cn2)C1	2217179700	BEAQNDOUZLESHO-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCNC2)c1	2217194445	WFKGUCWKAIHRPI-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
CC(C)(Nc1ncccc1B(O)O)[C@@H]1CCCN1	2223636137	GFRHVVUKRDOZEL-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@@H]2CNC3)c1	2223640801	YMCZKBGDGPTNOO-PHIMTYICSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCN2C)cc1B(O)O	2223649293	WODYFSKMKPBQRP-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]3CNC[C@H]32)cc1B(O)O	2223650153	IVEOSEFYIYWYAD-FXPVBKGRSA-N	248.091	-0.943	50	10	BBGE	
O=C(NC1CC(Cl)C1)C1(B(O)O)CC1	2241480392	IBGMFBOQNRQFJI-UHFFFAOYSA-N	217.461	-0.121	50	10	BBGE	
CN(CCC(=O)NN)CC[C@H]1CCO1	2242524590	UPLCUTRIUXYLNK-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CC1(C)C(=O)NC[C@@H]1NC(=O)C=CC(=O)Cl	2243246274	YYQGHHNQINBECO-LURJTMIESA-N	244.678	-0.051	50	10	BBGE	
O=C(NCCC1COC1)C1(B(O)O)CCC1	2243347540	NISXVCBCZNWXFC-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
CCC(CC)(NC(=O)C#CB(O)O)C(F)F	2243349740	PWLVSPMGSBEFBA-UHFFFAOYSA-N	233.023	-0.058	50	10	BBGE	
C=CC1(NC(=O)c2ccsc2B(O)O)CC1	2243359332	RALBQZRGNXEGQQ-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1sccc1B(O)O	2243377099	USWDHOYIHVXNQQ-WDSKDSINSA-N	237.089	-0.434	50	10	BBGE	
NCCCCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243390757	AUHNPUDVBPTTMX-DTWKUNHWSA-N	228.101	-0.515	50	10	BBGE	
CC1(NC(=O)c2csnc2B(O)O)CCC1	2243398697	SJEAHGYEHBSHCL-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)CC(C)(C)C1	2243400254	YBZNFHYJKNDTLR-VIFPVBQESA-N	223.081	-0.104	50	10	BBGE	
NC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2243404047	IGGSMQIXKBXMHL-IWSPIJDZSA-N	226.085	-0.907	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CC2)CO1	2243404990	XVYFBWIFGCRJIK-ZKCHVHJHSA-N	225.053	-0.207	50	10	BBGE	
CN(CCCCCN)C(=O)[C@H]1C[C@@H]1B(O)O	2243419719	FOYDPTQPVSRCNP-IUCAKERBSA-N	228.101	-0.563	50	10	BBGE	
CCCOCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427447	VOXGRZNFXSOCSR-IUCAKERBSA-N	229.085	-0.218	50	10	BBGE	
O=C(CN1CCC(B(O)O)CC1)N1CCC1	2244179104	XLSYWAPADXIWKB-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
C=CC[C@@]1(CO)CCCN1[C@H](C)C(=O)NN	2244836599	HWVHPTBQAYELIT-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC[C@H]1C	2247738558	RVEYHHJYNRRNDB-MUWHJKNJSA-N	237.064	-0.204	50	10	BBGE	
COC(C)(C)[C@@H]1CCCN1C(=O)C#CB(O)O	2247740318	ITXWHBKBQTUOJC-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
NCCC[C@H]1CCCCN1C(=O)C#CB(O)O	2247747245	KTTXQOOPBBUAPW-SNVBAGLBSA-N	238.096	-0.878	50	10	BBGE	
CN(CC1CC1)C(=O)c1ncccc1B(O)O	2247768921	AVOXUMQFOULQFO-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247792726	USYKEVMFDBMHMX-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1cc(B(O)O)cs1	2247796281	WUZSGFIMWSHPJT-VIFPVBQESA-N	249.100	-0.334	50	10	BBGE	
CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247797633	LQVWZGLLPLNHMD-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCCOC1CCCC1)[C@H]1C[C@@H]1B(O)O	2247800686	RNEFEFSEVXXWRX-UWVGGRQHSA-N	241.096	-0.075	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC12CC2	2247807092	HFVNZPJDLRWDSS-XHNCKOQMSA-N	239.080	-0.513	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247809104	NVRSSFTWSOPRJY-AUXWQGHOSA-N	243.112	-0.237	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)C2)ccc1B(O)O	2247854192	YKEXSKOZOOYZNE-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCC[C@H]1O	2247860694	ZWMGPZDBCYSDJZ-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)oc1C	2247868558	VSGXJAISQMYHJB-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247869036	KVCVMCDDHCKDLF-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1CCC[C@](F)(CO)C1)C1(B(O)O)CC1	2247869899	AETZTZGSTRRSOH-SECBINFHSA-N	245.059	-0.684	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)C(=O)C1(B(O)O)CC1	2247872391	RBVHZBWGLVMLPT-RKDXNWHRSA-N	239.080	-0.656	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1C(=O)C1(B(O)O)CCC1	2247877895	KBDRLQUDLXKCQP-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
CC(C)[C@H](CN(C)C)NC(=O)[C@H]1C[C@H]1B(O)O	2247895571	UCSIDXZIWGDQAH-AEJSXWLSSA-N	242.128	-0.448	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@]12C[C@@H](CO)C2	2247898244	BPISZIMNJIODAG-CKEKPRIKSA-N	239.080	-0.777	50	10	BBGE	
CC1(C)CCO[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247900734	ZDNXWPVONGAGQF-XHNCKOQMSA-N	241.096	-0.219	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)ccc1O	2248031464	BGKISXURBLKFLF-UHFFFAOYSA-N	239.036	-0.857	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H](C)CF	2248970705	YKMMUWOCAKBHCY-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1cc(B(O)O)co1	2249418645	WVBRTQCSLKKDDV-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2249420847	ZFSJPQPAMSCPSZ-HQJQHLMTSA-N	235.048	-0.559	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)NCCC#CB(O)O)C1	2249999813	ZZHWEJSOENCWIM-AOOOYVTPSA-N	239.080	-0.677	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C(=O)C1(B(O)O)CC1	2250861360	NUDILTOKIQTBDS-SECBINFHSA-N	242.128	-0.208	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ccncc1B(O)O	2255452486	JQOBNASJUSZMSI-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255461785	MIAWMMDESPLLEO-SECBINFHSA-N	246.075	-0.820	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H](C)CC#N)c1	2255512730	FBHPUIWXVSWRSW-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ncccc1B(O)O	2255517619	WOYJZQHLTCBWBQ-SCZZXKLOSA-N	248.091	-0.368	50	10	BBGE	
C#CCCCN(C)C(=O)c1cncc(B(O)O)c1	2255519932	DERJJYAGBOCXGT-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(OC)c(B(O)O)c1	2255725074	KBECHPCTNNLXJV-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
C[C@@H](NC(=O)c1nccnc1B(O)O)C1(C)CC1	2256054583	QSVWTLRKSIXTBW-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258135023	CQILVZGSYNLMLZ-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CNC[C@@H]1C2)C1(B(O)O)CC1	2298368173	RHPAWGPQCDIPGB-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@H](C)CCO1	2298371504	MXLSTJOYIDBHBB-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC(B(O)O)C1	2298376447	WYPBXNHLQKZXQK-SPGGCIFMSA-N	239.080	-0.325	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)CC1COC1	2300365523	ZUUGDMLGPMQWQT-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)o1	2301198483	OQVOYDUDJFCOAZ-MTBHXBHISA-N	237.064	-0.266	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(O)CC1	2301345192	CHRJEZUBFHJGOO-UHFFFAOYSA-N	232.048	-0.825	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	2302059439	KGFCAPLZXNHOHR-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
NC[C@]12C[C@H](CCN1C(=O)[C@H]1C[C@H]1B(O)O)C2	2302201681	PAAUQPCLQMCGTK-WYOJIJJFSA-N	238.096	-0.811	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C2CCOCC2)C1	2303101961	PDFCYZJZDYOHGJ-LLVKDONJSA-N	241.096	-0.122	50	10	BBGE	
CC[C@H](C)NC(=O)CN1CC[C@@](C)(B(O)O)C1	2303134199	OLPIEPUEZVREGA-GXSJLCMTSA-N	242.128	-0.160	50	10	BBGE	
CC(C)(CN)COc1cc(B(O)O)c(F)cn1	2303860962	KZLRSNIAZPEBGE-UHFFFAOYSA-N	242.059	-0.736	50	10	BBGE	
CC[C@@H](C)NC(=O)C(C#N)=CNCCO	2324662297	RJEQYDOEVXMWBB-MRVPVSSYSA-N	211.265	-0.110	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCCl	37834227	QSHBCPBKMCBTNN-SFYZADRCSA-N	248.710	-0.157	50	10	BBGE	
C[C@H](CCc1ccco1)NC(=O)C(=O)NN	49571860	GGJUOYBHVXZZTE-SSDOTTSWSA-N	225.248	-0.293	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(CCO)CC1	54712776	ZOTJFYVDNMYOFL-VIFPVBQESA-N	234.727	-0.002	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCCN1CCOCC1	58844775	SDDNQGIERAGEHP-JTQLQIEISA-N	244.339	-0.933	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CN)CC[C@@H]1C	70182697	ALNSSHITLTVVDP-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@H](O)C1	82468668	GMAVVEPAIUXLMF-QMMMGPOBSA-N	225.248	-0.550	50	10	BBGE	
O=C1CN(C(=O)CBr)CCCN1	83747962	RYAJCRSHUGWCBN-UHFFFAOYSA-N	235.081	-0.270	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1Cc2ccccc21	85578481	IGMCCJVSTXDCOY-QMMMGPOBSA-N	219.244	-0.568	50	10	BBGE	
CC(C)N(CCO)[C@@H](C)[C@@H](C)C(=O)NN	86313648	IZCQZLMMQHQVDZ-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
CCCn1ccn(CCC(=O)NN)c1=O	87667113	NMNALOSIQLKKNV-UHFFFAOYSA-N	212.253	-0.560	50	10	BBGE	
NNC(=O)CCCOc1cccc(C(N)=O)c1	104122538	ZZDQMJLKAYXUIG-UHFFFAOYSA-N	237.259	-0.066	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)N(C)C)O1	151068881	UEWMMXBOIGPRPZ-BQBZGAKWSA-N	215.253	-0.144	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\NC[C@@H](C)O	217182794	LRPOGSVOTDGAGQ-WSQKDGNHSA-N	211.265	-0.111	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](O)COC	219256331	NIGXFXKNOWICCG-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
OB(O)c1cnc(C(F)(F)F)c(F)c1	238632367	FIJNSXOMCNJYRC-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1CC(O)C2)C(=O)NN	251090937	KFBORZVGJURRKC-CIUDSAMLSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1CO	251227066	OYVUSDONYSLLGJ-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CSCN1)C1CC1	306188172	UJGHXXVCFIFAQO-LURJTMIESA-N	215.278	-0.794	50	10	BBGE	
N[C@@H]1C[C@H](I)CNC1=O	306237967	PETGTHZFAMKFMA-IUYQGCFVSA-N	240.044	-0.363	50	10	BBGE	
Nc1ccc(B(O)O)c2sc(O)cc12	307060996	KKHBLFQZIUPYBZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC1CN([C@@H](C(=O)NN)C(C)C)C1	308558314	VPXWIPJWPNNKQE-MRVPVSSYSA-N	201.270	-0.669	50	10	BBGE	
Cc1cc(B(O)O)ccc1[C@H](CO)CF	308972432	PXXKJJGMUBKSGK-QMMMGPOBSA-N	212.029	-0.280	50	10	BBGE	
CC(=O)O[C@H](C)c1ccc(B(O)O)cc1	308994269	WUEFUENVZKPPNB-SSDOTTSWSA-N	208.022	-0.010	50	10	BBGE	
CC(=O)N/C(=C\C(=O)NN)c1ccco1	379698163	KWQUCLULHMFXCL-ALCCZGGFSA-N	209.205	-0.254	50	10	BBGE	
CN(C)CCONc1nc(CCl)nc(=N)[nH]1	382265256	LTAVCQWPJOIIQX-UHFFFAOYSA-N	246.702	-0.072	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCSC[C@@H]1CO	388077307	AVPVDTZFNUACBQ-IUCAKERBSA-N	247.364	-0.589	50	10	BBGE	
CCNC(C)(C)C(=O)NNC(=O)C1CC1	389893621	XITBDGBLWFYXML-UHFFFAOYSA-N	213.281	-0.068	50	10	BBGE	
OCc1cc(O)cc2sc(B(O)O)cc12	396338485	IXMSYBHAJPCQRV-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1c(B(O)O)ccc2scc(O)c12	396389960	WQKOJGAFOPDSAQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(O)[C@H]1OC[C@H](CCl)[C@@H]1[N+](=O)[O-]	687750789	GOZHBJWNIQHRJX-YUPRTTJUSA-N	209.585	-0.030	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cn(C)nn1	690439982	OITXQJCFCAHXTP-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H]3C[C@H]3C2)c1	694562603	HZZBAOMXHMMIPS-KXUCPTDWSA-N	220.081	-0.001	50	10	BBGE	
CNC(=O)C1CN([C@H](CC(C)C)C(=O)NN)C1	695102361	QPJRUQVVNSDSCM-SECBINFHSA-N	242.323	-0.931	50	10	BBGE	
OB(O)c1ccc(OCCn2ccnn2)cc1	699048271	DDXSKBZUYSQGTL-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CO[C@@](C)(CO)CNS(=O)(=O)CCCl	702479213	DZMWACYNZWAHSU-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@H]1CO	708094291	NNWMXUYZUBRVLO-KXUCPTDWSA-N	243.351	-0.049	50	10	BBGE	
CCC[C@@]1(O)CCCN(CC(=O)NN)C1	710193079	BVGUYSOYLXMISR-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)c1ncc(CN2CCCC2=O)s1	711348146	PMBZYIZNYWSJBB-UHFFFAOYSA-N	240.288	-0.131	50	10	BBGE	
C[C@H](O)CN(C)C1=C(C#N)[C@@H](N)[N]S1	725552905	WSOKGUYMJLEEMD-FSPLSTOPSA-N	213.286	-0.415	50	10	BBGE	
C=CCC1(C(=O)NNC(=O)CO)CCOCC1	819927006	YEXIXNCEJUIMED-UHFFFAOYSA-N	242.275	-0.501	50	10	BBGE	
O=C1NCC[C@H]1NS(=O)(=O)CCCl	822123324	RITCXQKVOLXWDJ-RXMQYKEDSA-N	226.685	-0.967	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)c1cnn[nH]1	859230767	IFRLOUFVJIVXEN-UHFFFAOYSA-N	221.220	-0.634	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)Cc1ccccn1	865171338	KNCOPIWHGVEQBA-XQRVVYSFSA-N	249.270	-0.026	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NN(C)[C@@H](C)CO)C1	911445170	OAADQPIOUYJNNQ-XHNCKOQMSA-N	216.281	-0.245	50	10	BBGE	
OB(O)c1cscc1CN1CCO[C@H]2C[C@H]21	1231954009	ORGGDFVYWHXJKQ-ZJUUUORDSA-N	239.105	-0.599	50	10	BBGE	
NNC(=O)c1cn([C@H]2CCCNCC2)nn1	1329936041	BPZCELKSEFOEHX-ZETCQYMHSA-N	224.268	-0.804	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NCCCC1CC1	1332853259	MHFTZSGZXMBEMN-UHFFFAOYSA-N	243.263	-0.320	50	10	BBGE	
Cc1nnc(NNC(=O)c2ncc[nH]2)n1C	1335407611	SGHBEFLIOFHXCX-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cccc(O)n1	1629331434	ICKKRZNDWHFYPC-UHFFFAOYSA-N	240.288	-0.132	50	10	BBGE	
CN(NC(=O)Cc1ccc(C#N)nc1)C(N)=O	1632039114	CERSFRKULNHYDW-UHFFFAOYSA-N	233.231	-0.463	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)N(C)C	1880673652	GNIGXQSWBJZLLM-ZCFIWIBFSA-N	210.686	-0.377	50	10	BBGE	
O=C1C[C@H](NC[C@H]2C[C@@H]2Cl)C(=O)N1	1883552506	NBMBBFXQAWYUQZ-SRQIZXRXSA-N	202.641	-0.382	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@@H](O)C[C@H](O)C1	1886138735	PSVNTVSFVCTIIV-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H](F)C1	1887273818	PWNASVQJVDWPEA-SSDOTTSWSA-N	205.233	-0.963	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(C)CCCO1	1889039058	FTZXPXGKCPITHC-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@@H](O)C[C@H](O)C1	1893460762	IWKOIEPXUCLWQH-XAMCCFCMSA-N	219.668	-0.432	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)S(C)(=O)=O	1895941808	XWHFEIMFNBCFDK-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)[C@H]1C[C@H]1B(O)O	1900275201	WARWPUIUMIKWAR-RNJXMRFFSA-N	228.101	-0.661	50	10	BBGE	
COC1CN(CCNC(=O)NC(=O)CCl)C1	1901552880	IWLSMEAUSOUSAG-UHFFFAOYSA-N	249.698	-0.618	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)CN(C)CC(=O)NN	1901731760	ZPHLWHOLIOTGCF-SNVBAGLBSA-N	231.340	-0.049	50	10	BBGE	
CCc1noc(CN2CC[C@H](B(O)O)C2)n1	1902515677	JWHCYIASNLMZLJ-ZETCQYMHSA-N	225.057	-0.319	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](CN(C)CC(=O)NN)(C2)O1	1902629632	PNZDBZAPGMAFJF-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)N1CC[C@H](OCCCO)C1	1906632418	UJLULEAKBOHUBZ-ZETCQYMHSA-N	203.242	-0.957	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1906866903	LVHSMOFHNSIVCP-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
CCC1CC(=O)N(C[C@@H](C)C(=O)NN)C(=O)C1	1912336942	VVTXBWFWNIQLAT-SSDOTTSWSA-N	241.291	-0.212	50	10	BBGE	
CN(CC1(O)CCC1)CC(C)(C)C(=O)NN	1914571425	GBOGPCASGFIHAI-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@]12CCOC2	1915572602	JLINYHKPWHHLEP-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
CN(CCCCCC(=O)NN)C1COC1	1915649473	AGQRNEMFOKYVKS-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CCO)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1916510241	DULKPMWSHNHHTK-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
COC1(C(=O)NNC(=O)C(F)(F)F)CC1	1923405286	KFNCXYPRMIMAEZ-UHFFFAOYSA-N	226.154	-0.125	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ncccn1	1923409856	AKCYFGXSXMNNRS-UHFFFAOYSA-N	234.137	-0.200	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cncnc1	1923410515	PBBWFXLIZBBWOH-UHFFFAOYSA-N	234.137	-0.200	50	10	BBGE	
C[C@H]1CCC(=O)N1CCOCC(=O)NN	1928181871	SKYBVMKBPBOULB-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
O=C(NNCCO)c1c(O)cccc1F	1929836060	CILOYGRISITLHZ-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)[C@@H](F)C1	1929910192	LFWYTOHBYJNQBY-BIIVOSGPSA-N	219.260	-0.985	50	10	BBGE	
N#CC1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936093175	BKEJZFUXBPHLRB-UWVGGRQHSA-N	222.292	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCCO)C1CC1	1936093504	FHCSMGASWMPIIS-WCBMZHEXSA-N	227.308	-0.541	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)[C@@H]1CO	1938231265	UCHHDLXBFLSLHO-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
COC1CN(Cc2cncc(C(=O)NN)c2)C1	1940580928	HPBSGENFVFLHIM-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H](CO)[C@H]2C1)C(=O)NN	1944549760	ZQPZULBEQSEFJV-GUBZILKMSA-N	241.335	-0.437	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H](C)C1O	1945912932	PNZSXLOWKMHBJL-IUCAKERBSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]23CCC[C@]2(COC3)C1	1947539562	CWCBSVGJRNERSN-JLLWLGSASA-N	239.319	-0.133	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C)(C#N)C1	1961495561	WCAZVKMTYSOTNY-QMMMGPOBSA-N	210.281	-0.154	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)C[C@@H]1F	1961718009	IXJUWNCYEIJGKK-WDSKDSINSA-N	230.073	-0.383	50	10	BBGE	
Cc1cc(N(C)CCF)ncc1B(O)O	1961718529	PRXDDAKYWDVMAR-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSC2CNC2)O1	1975142597	JLNVVLPCMQBRSW-POYBYMJQSA-N	231.321	-0.771	50	10	BBGE	
CC[C@H](C)CC(=O)N[C@H](CB(O)O)C(=O)O	1976978650	BMBFOZITSAILCM-NKWVEPMBSA-N	231.057	-0.535	50	10	BBGE	
OB(O)c1ccn(C2C[C@H]3[C@H](C2)C3(F)F)n1	1978367526	VRMZEZXSENFHFA-BQBZGAKWSA-N	228.007	-0.221	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1[C@H]2CCCCC[C@H]21	1979729950	GDJYCAUEDJAOOF-AYMMMOKOSA-N	225.292	-0.081	50	10	BBGE	
O=C(NCB(O)O)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F	1980945102	ZYUNUGZPPBBPRF-QYNIQEEDSA-N	233.023	-0.204	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CC[S@]1=O	1980949467	INUVNKPBRSHLRO-MRXNPFEDSA-N	247.364	-0.401	50	10	BBGE	
CC12CC(CN1c1ncccc1B(O)O)C2	1981424369	SGRIDYYGZZJXLB-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
CCO[C@@H]1CCN(c2nc(B(O)O)cs2)C1	1981468873	JILIMRRDTQPGEG-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
C[C@H](CN(C)[C@H]1CO[C@H]2C[C@@H]1C2)C(=O)NN	1986053040	ITBGLQWFXJDHQO-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
CCO[C@]1(CN(C)CC(=O)NN)CCOC1	1987733362	RAYYFQKXRSDLOG-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
CC[C@H](CN(C)C[C@H]1C[C@@H]1C(=O)NN)OC	1987968151	QBRFQUGDICLOIH-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
CN(CCCCC(=O)NN)C1CC(CO)C1	1990047601	QQHPUJLKHWROHR-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@@]1(F)C2	1990772891	ORLMNQVVDMVPJT-WPRPVWTQSA-N	229.255	-0.065	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NCC=CB(O)O	1991325983	BPCGRADGMXLJJD-SECBINFHSA-N	229.085	-0.268	50	10	BBGE	
C=C(CN1C[C@H](N(C)C)[C@H](SC)C1)B(O)O	1992152560	GQJFVDKZPFOVDD-VHSXEESVSA-N	244.169	-0.468	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@]1(C)CCO	1994707651	RLXVTOVSPLSUBO-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)CCCN1[C@H](CO)C[C@H]2CCC[C@H]21	2000718009	TXPTZGRCWQTFGL-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2001838115	ZJUKEQYIJWFXPB-RJRBEDEGSA-N	239.319	-0.423	50	10	BBGE	
NNC(=O)c1cc(CN2CCO[C@H]3C[C@H]32)on1	2004486558	MPNQGECGIXUFRH-BDAKNGLRSA-N	238.247	-0.749	50	10	BBGE	
CCN(c1nccc(C)c1B(O)O)C1COC1	2004920203	HVEXDDDZJZBORA-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CC1(C)C[C@H]1CCOc1ncc(B(O)O)cn1	2004930067	QILCFGMZSMZBQN-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
COC(C)(C)CCOc1ncc(B(O)O)cn1	2004950150	BQKOJSFPSUJPIP-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
COC[C@@H](OCCN1CCCCC1)C(=O)NN	2007042343	CTJQYOPHSFTFRG-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
COC[C@]1(F)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2009643429	ZKQFEETWLHBVCJ-QXEWZRGKSA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(F)(CO)C2)C1	2010834393	CBLOOGWTKPNQBH-RKDXNWHRSA-N	245.298	-0.591	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)C2(CC2)C1	2014771029	DBHXQRXYNAVKLJ-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCNC(=O)C12CC2	2014888326	JWRLJELGIKTCNZ-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CN)CC1(C)C	2015176512	YUPNHBNUYLBVKR-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016371331	SJIJGUSVYCLGOQ-JCRMPLGGSA-N	239.319	-0.421	50	10	BBGE	
COCCN(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023855397	ZHXQARFVNHOLDT-XYPYZODXSA-N	243.307	-0.896	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2026846646	BQOWABITCQYJIC-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
CN(CCc1ncccn1)C[C@@H]1C[C@@H]1C(=O)NN	2030284167	CQQJEIZQMVXPEA-UWVGGRQHSA-N	249.318	-0.423	50	10	BBGE	
CCc1cc(B(O)O)c(C=O)c([N+](=O)[O-])c1	2060040941	WUZJMHVNUVKTOS-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCOc1ccc(C#N)c(B(O)O)c1F	2060170255	DKKOAUJXCHISPE-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
CCOc1c(F)ccc(C#N)c1B(O)O	2060170489	JEQQSWQIOSSJDU-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
N#Cc1ccc(B(O)O)c([N+](=O)[O-])c1F	2060184920	DEWDTSHYHQKONN-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
O=C(NCCc1ccccc1B(O)O)C1CCC1	2067551213	OQVIJFCWYYHZBH-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	2079007870	AVXRNVPUDWYMIE-KOLCDFICSA-N	249.075	-0.869	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1C[C@H]2C[C@@H]2C1	2212325564	BHONDNZVDFFTQJ-NQMVMOMDSA-N	227.308	-0.278	50	10	BBGE	
CS[C@@H]1CC[C@H]1Nc1ncc(B(O)O)cn1	2212602816	KGGFHKNFOCNEMX-HTQZYQBOSA-N	239.109	-0.538	50	10	BBGE	
CC(C)(CO)CNc1cc(B(O)O)ccn1	2212606765	ZTYIGLQZDDWRLB-UHFFFAOYSA-N	224.069	-0.808	50	10	BBGE	
C#C[C@@](C)(CC)Nc1ncc(B(O)O)cn1	2212613807	YRVVYJVDMXSGCV-JTQLQIEISA-N	219.053	-0.630	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	2212898244	CNIOUBVVCWMWHO-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2215775815	JDWOESNLSBCSQA-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@H](CN=c2ccc(B(O)O)c[nH]2)CO1	2217184804	WMTUMHWBYAEHIP-DTWKUNHWSA-N	236.080	-0.980	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)CC1	2217187595	AYHPQVRERFTTES-AOOOYVTPSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217197016	WRWDRVVSJVAEBW-DTWKUNHWSA-N	236.080	-0.980	50	10	BBGE	
CCOC(=O)[C@@H](C)Nc1ncccc1B(O)O	2217198127	WZKOOCCSNNDKMD-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1c1cc(B(O)O)ccn1	2217199008	JCVJFWUXMQXUPP-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)OC(F)F	2217201140	OFNJFXZECROQJF-ZCFIWIBFSA-N	246.022	-0.199	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2COC[C@H]21	2217202046	UKDXUUSIYNQQPB-NQMVMOMDSA-N	234.064	-0.792	50	10	BBGE	
N#Cc1ncn(C[C@H]2CC[C@@H]2C(=O)NN)c1C#N	2221567164	NGZGVIKOJCPEJL-SFYZADRCSA-N	244.258	-0.357	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CC[C@H]2CC[C@H]1N2	2223655424	ZZANUQJJZNAKRW-IEBDPFPHSA-N	248.091	-0.577	50	10	BBGE	
CC1(C)OCCN(C(=O)NN)[C@H]1CO	2241482636	IZESKWKTVXQNPZ-LURJTMIESA-N	203.242	-0.959	50	10	BBGE	
Cc1nc(C)c([C@@](C)(N)B(O)O)s1	2241650334	LQLGEIOXJOUPHH-SSDOTTSWSA-N	200.072	-0.054	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)s1	2243349952	SUJPGXLDBYBYES-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
NC[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2243364979	GDWLUTRSMQXPHB-HTQZYQBOSA-N	226.085	-0.906	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1sccc1B(O)O	2243373904	AYMYKLXVZSYGSY-VDTYLAMSSA-N	243.068	-0.484	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CCC1	2243375000	NEJZZBBXQKYDNG-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
Cn1cnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2243382511	OTWFIYCAVUHYCM-IZLXSQMJSA-N	224.029	-0.993	50	10	BBGE	
C#CC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243383186	VIRZLQZZQOBFNG-DTORHVGOSA-N	221.065	-0.231	50	10	BBGE	
CCN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243395950	FCOIFBNJZCLYAO-DTWKUNHWSA-N	226.085	-0.987	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COC[C@H]21	2243397189	WZUCOAVMKHOEFQ-UYXSQOIJSA-N	225.053	-0.903	50	10	BBGE	
CCN(C(=O)c1ccoc1B(O)O)C(C)C	2243399731	PMSGWQLJORZWBL-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
O=C(NCc1ncno1)C1(B(O)O)CCC1	2243411349	RTVJPQNJDCPVLK-UHFFFAOYSA-N	225.013	-0.917	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NOC(C)C	2243413713	MDINFZLRHYNLSB-UHFFFAOYSA-N	244.081	-0.799	50	10	BBGE	
CN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414730	HGQDOYZPFIMVEB-NRPADANISA-N	226.085	-0.940	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)[C@H]1C[C@H]1B(O)O	2243426728	KXWTZODHVDSUFM-HRDYMLBCSA-N	228.101	-0.694	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1CSC2	2243426749	LIQLTUHOLHQSQX-JBDRJPRFSA-N	241.121	-0.044	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CC[C@@H]2C1=O)C(=O)NN	2243496024	CCAPTYHGXVAMSR-VQVTYTSYSA-N	225.248	-0.993	50	10	BBGE	
CN(CC1COC1)[C@@H](C(=O)NN)C(C)(C)C	2243988794	MRHGPYYYIYKKEF-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)co1	2244219329	JJQKHEPBYZWBPT-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCC[C@@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2244551527	GZOAOVUJBIFWLI-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
CC[C@H]([C@@H](C)CN(C)C)N(C)CC(=O)NN	2245098196	NZJZBSZJXKNXLB-VHSXEESVSA-N	230.356	-0.116	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CCCCC(=O)NN	2245132843	YSKRLVRXOIMTJW-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(C2CCC2)C1	2247744405	SEWMFVRISTYVLP-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2(B(O)O)CCC2)[C@H]1C	2247753093	BKMWNZXVQJKCNE-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
CC(C)(CCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787671	SAMKNKDBYJDBDL-DTORHVGOSA-N	243.112	-0.236	50	10	BBGE	
O=C(N[C@@H]1COCCC1(F)F)[C@@H]1C[C@@H]1B(O)O	2247797574	KYZRQBANXBCLDM-DSYKOEDSSA-N	249.022	-0.610	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2C[C@H]2C)c1B(O)O	2247800549	PZSUZVJTNNUYMS-HTQZYQBOSA-N	234.064	-0.792	50	10	BBGE	
CCc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247805743	KWJZAJXHOWLOOJ-YUMQZZPRSA-N	237.068	-0.549	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806335	FDYRURUIMKMDRU-FNCVBFRFSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@@H](O)CC1	2247809414	ZDWOXQZGJXWVOT-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
CC(C)[C@H](CO)CNC(=O)C1CC(B(O)O)C1	2247809562	ZNUJOGGTWDENMM-KYHHOPLUSA-N	243.112	-0.380	50	10	BBGE	
Cc1ccc(C(=O)NOC(C)C)c(B(O)O)c1	2247853325	KJKLBXBCNKQDFZ-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
C[C@H](C1CNC1)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247858823	ICASWUMSGHOECK-MRTMQBJTSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ncccc1B(O)O	2247869152	MQBOLFWAWCZYAF-VXNVDRBHSA-N	234.064	-0.710	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC(C)(C)F	2247873589	DWNHMJDLEYFCCJ-UHFFFAOYSA-N	242.059	-0.817	50	10	BBGE	
Cc1ccc(C(=O)NC2(C)CC2)cc1B(O)O	2247874358	QFERJCBFOSBDGT-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)C2(B(O)O)CCC2)C1	2247878962	QTEDIDLVUGNJAE-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
CC[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247895452	SQALQJDTJOOJTN-KKZNHRDASA-N	241.096	-0.387	50	10	BBGE	
O=C(NC1CCC(CO)CC1)[C@@H]1C[C@H]1B(O)O	2247897237	PSKDRNVWPJHZOF-YDYPAMBWSA-N	241.096	-0.483	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1[C@@H]2CO	2247909979	LPZXVJWBQNIWEY-WVHJSVDISA-N	239.080	-0.921	50	10	BBGE	
CC[C@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248574415	RHRBNAFFXXGWTF-CSMHCCOUSA-N	243.068	-0.391	50	10	BBGE	
C=CC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248585607	OKEYORWSKSTHIG-KAVNDROISA-N	241.052	-0.615	50	10	BBGE	
O=C(N[C@@H](C(=O)O)C1CC1)C1CC(B(O)O)C1	2248586023	UNSVBLCSWRTXLY-KAVNDROISA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248587858	VJONESGMJSJLBH-FXQIFTODSA-N	241.052	-0.685	50	10	BBGE	
O=C1NCC[C@H]1CCN1CCC(B(O)O)CC1	2249378009	KGKGIBGEGOSBAS-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
CC1(F)CC(NC(=O)c2cocc2B(O)O)C1	2249418922	ANXLUEFVPFDMEQ-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
C#CC1(Nc2ncc(B(O)O)cn2)CC(C)C1	2250658947	CLKPJTHDNVMUTF-UHFFFAOYSA-N	231.064	-0.630	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)c(C)c1	2255508815	DLKBMQZLCPDJLR-NSHDSACASA-N	245.087	-0.019	50	10	BBGE	
Cc1ccc(NC(=O)c2c[nH]nc2B(O)O)nc1	2255546424	FJTWDZMSFLPMTH-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ncccc1B(O)O	2255710265	IJTYQMLJPWLLEU-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
Cc1ccnc(C(=O)Nn2cccc2)c1B(O)O	2255784597	GYZLMKHIDHWSBK-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCCC2(CC2)C1	2258140365	BMHNTLDOZYCPPZ-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC12CC(CO1)C2	2260701215	NRSCMPPCDXRLDM-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@@H]1O	2298376258	OYXGRZVBWMLLMS-CHHOWFRJSA-N	241.096	-0.485	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ccco1	2298376288	PUVYTQNNVHUDEO-PRJMDXOYSA-N	238.052	-0.742	50	10	BBGE	
O=C(NC[C@H]1COC2CC1C2)[C@@H]1C[C@H]1B(O)O	2298377119	FLVMFYYMUHRCHP-IRWNXEEJSA-N	239.080	-0.610	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1C[C@@H]1C(=O)O	2298463363	ZOXRUYSQNIHLST-QYYLWSOASA-N	241.052	-0.925	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CCC1(F)F	2298971920	XGVVEDANUYNVAH-LURJTMIESA-N	244.006	-0.420	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1CC1(C(=O)NN)CC1	2299981224	OOBCQNYRULNIIP-MWLCHTKSSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)[C@H](O)CN1CCC[C@@H]1C[C@H]1C(=O)NN	2300365051	WZLWZMTVTPSJPC-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@@](C)(B(O)O)C1)C1CC1	2303107903	CEBAWDDQCVQIOW-GXSJLCMTSA-N	241.096	-0.123	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H]1CCNC1=O)C(=O)NN	2303421665	WJSXTEGMZYBVCB-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2CC[C@@H]1O2	2312612257	LQOSILWZMJFBBT-NGZCFLSTSA-N	248.091	-0.259	50	10	BBGE	
O=C(CBr)N1CCS(=O)CC1	14984328	LYGXWVYOLHLJAM-UHFFFAOYSA-N	240.122	-0.028	50	10	BBGE	
COCCOCc1cc(C(=O)NN)no1	82463654	IXIPGVMXGGQFLJ-UHFFFAOYSA-N	215.209	-0.559	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(CO)CC1	82465778	CEFWKHRLFZXSAJ-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1cc(Cn2ccsc2=O)on1	82471553	BKERHZRFBLFDHG-UHFFFAOYSA-N	240.244	-0.450	50	10	BBGE	
Cc1n[nH]c(S[C@@H](C)CC(=O)NN)n1	82473187	CPOXOMJBNHPPLL-BYPYZUCNSA-N	215.282	-0.026	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1ccc([N+](=O)[O-])n1	86313828	UFTMRQVRLUEXDY-WDSKDSINSA-N	227.224	-0.022	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)OC(=O)C1	102210365	CUIGRVYVXDTWCO-SCSAIBSYSA-N	205.597	-0.474	50	10	BBGE	
NNC(=O)c1cccc(Cn2cccnc2=O)c1	110578892	VVEOBJMLFVLCGY-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
COCCn1cc(N2CC(=O)OC(=O)C2)cn1	111466024	UZFPBRXBKGXNGZ-UHFFFAOYSA-N	239.231	-0.581	50	10	BBGE	
C[C@H](CNC(=O)NC(=O)CCl)[S@](C)=O	135302422	OGWJKSCYWUEQFS-FPHPLZIGSA-N	240.712	-0.182	50	10	BBGE	
C[C@@H](Cn1cnc(C#N)c1C#N)C(=O)NN	164686212	DJQXVMUSNPFRRJ-LURJTMIESA-N	218.220	-0.748	50	10	BBGE	
CCc1nn(C)cc1C(=O)NNC(N)=O	227562004	GVLPEBCDKDPZKQ-UHFFFAOYSA-N	211.225	-0.704	50	10	BBGE	
C[C@H](Br)C(=O)N1CCNC(=O)C1	235424578	QGIYJSLGYZXZFE-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
CCC[C@@H](Cl)[C@@H](O)[C@@H](O)[C@@H](O)CO	238220903	GSIMLUVFAXEHQL-CWKFCGSDSA-N	212.673	-0.531	50	10	BBGE	
NC1(C(=O)O)CCC(CB(O)O)CC1	306385531	BLMNIBMDOINKHQ-UHFFFAOYSA-N	201.031	-0.569	50	10	BBGE	
Nc1c(B(O)O)c(O)cc2sccc12	306943053	USMIYAPWWVFIBR-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@H](C=NNC(N)=O)[C@@](C)(O)C(=O)O	379700565	OXQLQXWQNCPHBO-SVGQVSJJSA-N	217.225	-0.498	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@](C)(CO)C1	381383394	PWQDNSPLDRONFF-QXEWZRGKSA-N	229.324	-0.295	50	10	BBGE	
CCOC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	383036000	GRNCICXKFTXZEQ-WPRPVWTQSA-N	243.307	-0.755	50	10	BBGE	
N#C/C(C(=O)C(N)=O)=C(\N)c1ccccc1	383975338	QXKSJULRTDJXIF-CMDGGOBGSA-N	215.212	-0.066	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1ccccc1O	390349596	OXWWBXHOHHCYJC-ZCFIWIBFSA-N	223.232	-0.500	50	10	BBGE	
CC[C@H](C)[C@H](CO)NCC(=O)NNC(C)=O	393784945	SXNMASZGQIPCQE-CBAPKCEASA-N	231.296	-0.850	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@H](N)C1	395794816	BBGZKQRCOHOUMW-DTWKUNHWSA-N	228.340	-0.186	50	10	BBGE	
Nc1cc2ccc(C(=O)O)c(B(O)O)c2s1	396235018	ADSSWOOQBXSNLQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1c(B(O)O)c(CO)cc2ccsc12	396242379	GFLDQOWGFFCMQX-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
NNC(=O)c1cc(CSCCC(N)=O)on1	399179277	RKSHQUPMWUDTED-UHFFFAOYSA-N	244.276	-0.613	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)CCCCC(=O)NN	400001518	YOKPEOWDIWHSSU-ABKXIKBNSA-N	249.380	-0.155	50	10	BBGE	
Cc1ncoc1C(=O)Nc1cccc(B(O)O)n1	404981068	OLBYVBAOHWKGMB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@H]1CCOC1	405040527	VWADOMPFCQAWOX-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
CCNC(=O)N(C)Cc1cccc(B(O)O)c1	405059130	AZZJDXINBQXNLW-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
CCCNC(=O)NCc1cc(B(O)O)cs1	405170585	TZCHVYQEEKZKJN-UHFFFAOYSA-N	242.109	-0.363	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CCN(C)C1	497188995	CIVUEPWMZSTKNQ-ZETCQYMHSA-N	215.253	-0.333	50	10	BBGE	
CCCOC(=O)[C@@H](C)[S@](=O)CC(=O)NN	586371221	REFWKGWOWMFYCA-NPMWZIQKSA-N	236.293	-0.933	50	10	BBGE	
C[C@@H]1NN(C)[C@H]2[C@H]1NN[C@@H]2Br	605681873	CBAOCGNEPKVESI-BXKVDMCESA-N	221.102	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](C)[C@@H](O)C2	686194480	ZRKCGPYNOGXVBH-HHKYUTTNSA-N	241.335	-0.011	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](F)C2)n1	689839830	LUIMFZJEIGHKMY-LURJTMIESA-N	228.227	-0.178	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN(C)C(=O)OC	690817333	STCHVWFDOQWZGE-MRVPVSSYSA-N	246.311	-0.615	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@H]2[C@H](C1)C2(F)F	693400052	UTMCPKJAVUGZPI-WDSKDSINSA-N	233.218	-0.616	50	10	BBGE	
CCOC[C@H]1CCCN1CC(=O)NN	696569712	FRVXHRSYRWCDEV-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1COC[C@@H]1C(=O)Nc1cccc(B(O)O)c1	705213368	BIADZWSREHVANP-KWQFWETISA-N	249.075	-0.413	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1CCCC(=O)NN	708294940	FZKJEXDSADQAEE-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C(NNC(=O)c1nc[nH]n1)c1ccoc1	746146120	BETKIMYZCZWEBK-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1cc[nH]n1	1300693907	FEPAXDNGRORNAU-LQQYEPNUSA-N	248.242	-0.604	50	10	BBGE	
COc1c(C(=O)NNc2ccncn2)cnn1C	1334803605	QNPYXOJUUISFIV-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
O=C(NCc1ncc[nH]1)c1cccc(B(O)O)c1	1444079501	DECPUNASUGEWQB-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2cccnn2)CCC1	1558131375	SFSUNXMXEBYYGH-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
Cc1nn(C)cc1CC(=O)NN(C)C(N)=O	1566497397	SIYGPLJLELRRDN-UHFFFAOYSA-N	225.252	-0.687	50	10	BBGE	
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1880022668	GPERDIFZBWORLQ-SSDOTTSWSA-N	247.295	-0.094	50	10	BBGE	
O=C(NC(CO)CO)[C@H]1C[C@H]1Br	1881364049	CUSYAKGERAODDF-NTSWFWBYSA-N	238.081	-0.761	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@H]1C[C@H]1Br	1883528786	BPISNAZMBGRMHM-RFZPGFLSSA-N	246.112	-0.155	50	10	BBGE	
C[C@@]1(CCO)CCN(CC(=O)NN)C1	1887605106	SGFUWRILFHGMFB-VIFPVBQESA-N	201.270	-0.929	50	10	BBGE	
CCON(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1896930823	WSPYDOLBFNYBEO-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@H]2N)CC1	1898014517	IEJMQZQQDIUGBU-DTWKUNHWSA-N	223.276	-0.399	50	10	BBGE	
C[C@@H]1CCN(CCN2CC[C@@H](B(O)O)C2)C1	1902513691	SMNBEAWKCYSSBR-GHMZBOCLSA-N	226.129	-0.123	50	10	BBGE	
CCN(C)C(=O)CN1CC[C@@](C)(B(O)O)C1	1902518937	ZJKPGLJSMQOVAZ-SNVBAGLBSA-N	228.101	-0.597	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCCO[C@H]21)N1CC[C@@H](B(O)O)C1	1905582963	DUNWSNORUHFBOC-UTINFBMNSA-N	239.080	-0.513	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	1908896580	AKNJMBCMDXWAEV-XWLWVQCSSA-N	238.335	-0.609	50	10	BBGE	
Cc1ncc(OCCCF)cc1B(O)O	1913215873	UDAXDSHNWKTEBI-UHFFFAOYSA-N	213.017	-0.192	50	10	BBGE	
CC1(CC(=O)Nc2ncccc2B(O)O)CC1	1913677466	UCALSUUPCKWYDS-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOCC12CC2	1915591530	ALOBTGJXPBVHCU-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](F)(CO)C1	1917087074	MTTLBYPLLVDQRV-APPZFPTMSA-N	219.260	-0.839	50	10	BBGE	
OB(O)c1cc(CN2CC(F)(F)C2)ccc1F	1917267466	ZHTDCZDAJKSEOZ-UHFFFAOYSA-N	245.009	-0.044	50	10	BBGE	
COCCOCC(=O)NNC(=O)C(F)(F)F	1923411159	RFDHODNELOAFKC-UHFFFAOYSA-N	244.169	-0.641	50	10	BBGE	
OB(O)c1cccc(CN2CCCO2)c1	1928682051	NDPYALSFKSAOJP-UHFFFAOYSA-N	207.038	-0.496	50	10	BBGE	
CN1C[C@H](NC(=O)CCCCl)[C@H](O)C1	1928757949	KPYNTQVCKADZMM-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
COc1ccccc1C(=O)NNCCO	1929837389	ZQBKRFBDTXJAEJ-UHFFFAOYSA-N	210.233	-0.078	50	10	BBGE	
CC[C@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1930891051	XSNHPJQJKSYPCI-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1930983463	VXJXYDHCTXPCRH-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
CN1CCCC[C@@H]1C(=O)NNC(N)=S	1931431622	AADNRMJRJQXVJD-ZCFIWIBFSA-N	216.310	-0.665	50	10	BBGE	
CN1CCCN(C(=O)NN)CCC1=O	1932321338	NSBQESVEIORLTH-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
COC[C@@H](OC1CC(C)C1)C(=O)NN	1932768687	INAFFIUDMCMGNC-KAVNDROISA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCOC1(C)C	1933165306	CEIXDISWFNWRRW-JGVFFNPUSA-N	215.297	-0.136	50	10	BBGE	
COC1(CO)CN(C[C@@H](O)CCl)C1	1935347067	KNAZJHCHYQDOQP-ZETCQYMHSA-N	209.673	-0.721	50	10	BBGE	
CO[C@@H]1CCCN(CCOCC(=O)NN)C1	1936534403	KNXSWVGYNLQZPB-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
COC[C@H](OCCOC1CCCC1)C(=O)NN	1940255706	JCZJMHOMJONPMV-JTQLQIEISA-N	246.307	-0.033	50	10	BBGE	
CO[C@H](C)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1940566068	RNNHEOZYDAUSPB-BDAKNGLRSA-N	241.291	-0.774	50	10	BBGE	
O=C1CN(CC23CCN(CC2)CC3)CC(=O)O1	1941503337	RJOHOZBHMYNIBB-UHFFFAOYSA-N	238.287	-0.142	50	10	BBGE	
COC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1	1951321045	XEYSYNCXIUDUEM-SSDOTTSWSA-N	213.042	-0.759	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@H]1CO	1953757108	OGAKHOFHRAAUIH-WDSKDSINSA-N	213.686	-0.270	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550109	VDVWPJXSMPLXIJ-KVEIKIFDSA-N	221.684	-0.988	50	10	BBGE	
CC1(C)C[C@@H](CC(=O)NCB(O)O)CO1	1958419316	SGHJPYRNJPQKGK-SSDOTTSWSA-N	215.058	-0.680	50	10	BBGE	
CN(C)C(=O)[C@H]1CCN(C[C@H](O)CCl)C1	1960159265	LEQLELPOIHJHOU-DTWKUNHWSA-N	234.727	-0.004	50	10	BBGE	
C[C@H](C#N)CN(CCC(=O)NN)C1CC1	1961233674	LITNAGFHEKWPMC-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
CCN(C(=O)NN)[C@@H]1CCCCNC1=O	1961460950	LRVHWAGXXXPFMS-SSDOTTSWSA-N	214.269	-0.440	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)C1	1961695073	YLSIHWZXXCUHKO-QMMMGPOBSA-N	206.054	-0.392	50	10	BBGE	
CC(=O)NNC(=O)COc1ccccc1N	1975382789	MTZDMFJMKDMUKF-UHFFFAOYSA-N	223.232	-0.185	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSc1ncncc1N	1975753035	QFPRFBAAMBZKOA-PHDIDXHHSA-N	239.304	-0.223	50	10	BBGE	
O=C(CCC(F)F)N[C@H](CB(O)O)C(=O)O	1976980644	AGBVMRUJKXGVET-SCSAIBSYSA-N	238.983	-0.926	50	10	BBGE	
CN(CC(=O)NN)CC1([C@@H]2CCCO2)CC1	1978605746	DYBPJINESZJZCY-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC([C@@H](F)CO)C1	1979547598	ILXKDCPINHHQNP-CBAPKCEASA-N	233.287	-0.593	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)CCCl)C[C@H]12	1981053091	DUOILYPWDOTTDU-ZCFIWIBFSA-N	245.666	-0.622	50	10	BBGE	
CN(CC1(C)CC1)c1ncncc1B(O)O	1981409087	ISTHCVLEHVTBJB-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cnc(Sc2ccccn2)nc1	1981464716	GOTBALUGZKNEBX-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
Cc1cn(-c2ccncc2B(O)O)c(C)n1	1981464934	IJWRGXCNZLRDBK-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H](C2)[C@@H]1CO	1984193457	TYXDNWBFBNICCN-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1CCN(c2ncc(F)cc2B(O)O)C1	1988002178	TXMGKWXIVOHPOQ-ZETCQYMHSA-N	224.044	-0.253	50	10	BBGE	
OB(O)c1ccn(CC2(C(F)(F)F)CC2)n1	1989198902	QVJFEOUTFOVLEW-UHFFFAOYSA-N	233.986	-0.095	50	10	BBGE	
CC1(S(=O)(=O)N[C@H]2CCC=C2B(O)O)CC1	1991328499	FQWPFANELGPXGL-QMMMGPOBSA-N	245.109	-0.441	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NCC=CB(O)O)C[C@H]12	1991339977	ZRTBSDZLPDLBGV-MRTMQBJTSA-N	225.053	-0.904	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(F)(CO)CC1	1995938081	RUKNOHUSMUELPO-VIFPVBQESA-N	247.314	-0.059	50	10	BBGE	
Cn1ncc2ccc(NC(=O)C(=O)NN)cc21	1997475324	ZPIBIHQPMGBZQN-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCCC12COC2	2001490599	NWDYGAVALXKENS-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1(C)CCCC1	2004912629	WFIDWQBYEKXFMP-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
CN(C)CCOCc1ccc(F)cc1B(O)O	2007009617	PJLCPAJINOJFGE-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
CCOCc1nccn1CCOCC(=O)NN	2011259330	CMRSLJFSGXTAIV-UHFFFAOYSA-N	242.279	-0.574	50	10	BBGE	
CO[C@]1(CN(C)[C@H](C)CC(=O)NN)CCOC1	2013414656	NKGBMHRBDYYIPJ-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@H]1C[C@@H]1Cn1nc(C)c(B(O)O)c1C	2015874753	BPWOFRMUUPHIAC-ZJUUUORDSA-N	238.096	-0.538	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@]1(C)CCCO1	2017097645	JLBINFWEWXBNHJ-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CC1CC1)C1COC1	2018186831	GWEGRYXIIDWJOZ-ONGXEEELSA-N	239.319	-0.277	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](N(C)C)C1	2019215253	UICABZXHXRPYSW-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
CN(C[C@@H]1CCC2(CC2)CO1)C(=O)C(=O)NN	2025103562	LJSZXYKRUXZEHQ-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1ccc(B(O)O)cn1	2025657582	BDQKFKCCOHNLIL-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
CN(Cc1ccncc1)c1ncncc1B(O)O	2052465778	CVQKKCAFBXLUPV-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
COc1ccc(B(O)O)c(Cl)c1C=O	2060137442	WRONCBCUGFXKFO-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1nn(C)cc1C(=O)N[C@H]1CCC=C1B(O)O	2076082643	WAEINMDTAZKTGA-JTQLQIEISA-N	249.079	-0.441	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@H]2CO)[nH]1	2210355328	JZKZEPSFGRNDJP-WDSKDSINSA-N	243.698	-0.372	50	10	BBGE	
C=CCOC(=O)Nc1cccc(B(O)O)n1	2212130663	XWMDNNYPULXTKS-UHFFFAOYSA-N	222.009	-0.504	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@]1(O)CCNC1	2212239130	JYFWHAUKCKXHRB-SNVBAGLBSA-N	246.694	-0.461	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1ncccc1B(O)O	2212606496	VFBVOXZRAFRCTE-HTQZYQBOSA-N	224.069	-0.403	50	10	BBGE	
OB(O)c1ccnc(N2CC(CCF)C2)c1	2212614301	CDVXIPQXHIDOQK-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
C[C@H](CCN)N(C)Cc1cccc(B(O)O)c1	2214593792	XSVWAVARAAUIEF-SNVBAGLBSA-N	236.124	-0.465	50	10	BBGE	
NNC(=O)C1(CN2CC[C@](F)(CO)C2)CCC1	2216491318	SXNMQJZJIFFZEJ-LLVKDONJSA-N	245.298	-0.447	50	10	BBGE	
COC[C@H](C)[C@@H](C)Nc1ncccc1B(O)O	2217175259	GPWYIAUJUXLURD-DTWKUNHWSA-N	238.096	-0.156	50	10	BBGE	
C[C@@H]1CO[C@H](CNc2ncccc2B(O)O)C1	2217176992	DAHYHTVWXGDOCZ-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
C#CCOCCOc1cc(B(O)O)c(C)cn1	2217179575	MSCJWSKDBBHXBO-UHFFFAOYSA-N	235.048	-0.902	50	10	BBGE	
C[C@@H]1C[C@H](COc2ncccc2B(O)O)CN1	2217181650	SOVJOKMQHQNXBJ-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
C#C[C@@H]1CCCN1c1cc(B(O)O)c(C)cn1	2217183402	KZPRYZUXXYZDNB-SNVBAGLBSA-N	230.076	-0.328	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@@H]3C2)c1F	2217185181	YVBHOXXVUWKWRH-JGVFFNPUSA-N	236.055	-0.253	50	10	BBGE	
NC[C@@H](Oc1ccc(B(O)O)cn1)C(F)(F)F	2217188303	MEQKYLBQACQBOH-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
CCN(C)CCCOc1cc(B(O)O)ccn1	2217188317	MHFYRRMQEDCOMD-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
C[C@@H]1CNC[C@@H](Nc2ncccc2B(O)O)C1	2217199963	HDGSREPAGGEZSV-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCC=CO1	2217200815	MEQHAGVJVLWRFV-SECBINFHSA-N	234.064	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cncc(F)c1=O	2217265817	OSZSFSJQKYQFAY-RQJHMYQMSA-N	240.238	-0.602	50	10	BBGE	
C[C@]1(CO)CCN(Cc2cccc(B(O)O)c2)C1	2220060976	BJWRNBQRXNETSZ-ZDUSSCGKSA-N	249.119	-0.429	50	10	BBGE	
Cc1ncnc(C)c1Nc1cc(B(O)O)ccn1	2223633992	DLZCMDYVCWLUGH-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3CNC[C@@H]32)cc1B(O)O	2223642034	FJHNBXKPYOFJSC-WCABBAIRSA-N	247.107	-0.910	50	10	BBGE	
OC[C@H]1CC2(CC2)CN1c1ncccc1B(O)O	2223667039	QADFZFKQCXSRND-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
C[C@H](Cn1cccn1)Nc1cc(B(O)O)ccn1	2223670041	RVIVJTFGNGQHBG-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H]1CCN	2223672830	UXKKTLYXPVEJTF-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCOC1	2243348476	YETYCQMGRRVBGK-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
CC(C)CONC(=O)c1ccsc1B(O)O	2243358550	HYDLDNPIWSMZRI-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
O=C(NC[C@@]12COC[C@H]1C2)C1(B(O)O)CC1	2243363485	HOUQBHBENNLMMF-APPZFPTMSA-N	225.053	-0.854	50	10	BBGE	
O=C(Nc1ccncn1)C1(B(O)O)CCC1	2243364665	AKXVUWWLCHEIHV-UHFFFAOYSA-N	221.025	-0.188	50	10	BBGE	
O=C(N1CC2CC(F)(C2)C1)C1(B(O)O)CC1	2243365490	NJAIXJRPGCIVFY-UHFFFAOYSA-N	227.044	-0.046	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CC=CC1	2243385408	ILFKNHBZQUMNAM-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1csc(B(O)O)c1	2243400426	ATDFTSNFEJIJIK-SSDOTTSWSA-N	237.089	-0.290	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(CC(F)F)C1	2243404017	HRGZAYZBMVXHRX-RQJHMYQMSA-N	233.023	-0.037	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)s1	2243407505	UCTBXCRTZVNTAE-NKWVEPMBSA-N	239.105	-0.044	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ncco1	2243408965	YIRIEZUZZMINAA-LURJTMIESA-N	224.025	-0.141	50	10	BBGE	
O=C(N1C[C@H]2OCC[C@@H]2C1)C1(B(O)O)CC1	2243409292	FPPNJPLKKJKZSR-HTQZYQBOSA-N	225.053	-0.759	50	10	BBGE	
C#CCCCCNS(=O)(=O)CC(=C)B(O)O	2243419497	AMIDODHEPFYRPW-UHFFFAOYSA-N	245.109	-0.723	50	10	BBGE	
CCN(C)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420099	MOSSSRITYCIFSX-IUCAKERBSA-N	226.085	-0.988	50	10	BBGE	
CC(C)(CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420695	XLVKQOYTUMNLJW-ZKCHVHJHSA-N	229.085	-0.626	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cocc1B(O)O	2244205092	FSGMAEGZZVFXCD-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cocc1B(O)O	2244205460	JRRYQVPSOJDGBZ-HZGVNTEJSA-N	223.037	-0.512	50	10	BBGE	
OC[C@@H]1CN(CC2CC(Cl)C2)C[C@@H](O)[C@H]1O	2245270631	APMMJWOGWYWIJT-YHUBBEEFSA-N	249.738	-0.350	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC1(C)C	2247721578	GGHMTQGQFQMLID-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C(C)(F)F	2247742373	NVTMOQSHUHWCPX-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247747397	MYQHKADHMVZEEM-IUCAKERBSA-N	236.080	-0.531	50	10	BBGE	
O=C(NCc1ccc(O)nc1)C1(B(O)O)CC1	2247757287	QGXSWQHPGJIIJU-UHFFFAOYSA-N	236.036	-0.590	50	10	BBGE	
CCN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247786445	AULXWHBGNDPYNJ-AOOOYVTPSA-N	240.112	-0.597	50	10	BBGE	
O=C(N[C@@]12CCOC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247800363	OELWELBOXXPYDN-TURQNECASA-N	239.080	-0.465	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CCC1	2247800902	UUWOCHJNNQUDRQ-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CC[C@H](C1)N2	2247801046	WICNBBJYEHCMFC-OXYCZDQYSA-N	238.096	-0.798	50	10	BBGE	
CC[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247801096	WYKCKLVJECKJPJ-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)C1CC(B(O)O)C1	2247806050	CZGDHOPPXFZBDI-UDNWOFFPSA-N	240.112	-0.502	50	10	BBGE	
CN(C)CCCCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247807993	JOVOGZSTMNUBIN-ZJUUUORDSA-N	242.128	-0.351	50	10	BBGE	
CC(C)[C@@H](N)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247808836	WISAZHHBIFHPCQ-GUBZILKMSA-N	242.128	-0.271	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1F)C1CC(B(O)O)C1	2247808934	NFKFCXYKCIYIFM-YNTFGVKOSA-N	245.059	-0.517	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCn2ccnc21	2247809909	SJOKHYFOQYRWCF-UHFFFAOYSA-N	235.052	-0.517	50	10	BBGE	
COC(C)(CCNC(=O)[C@@H]1C[C@H]1B(O)O)OC	2247809939	SMQQCQICORQTSZ-HTQZYQBOSA-N	245.084	-0.635	50	10	BBGE	
O=C(NC1CC1)c1cc(F)c(B(O)O)cc1F	2247841295	HITJQYPFIHSITA-UHFFFAOYSA-N	241.002	-0.463	50	10	BBGE	
C#CCCN(CC)C(=O)c1cc(B(O)O)c[nH]1	2247848020	FXRIKTXKYDVQAO-UHFFFAOYSA-N	234.064	-0.820	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H](C)CC#N	2247853504	NAHRGCYNMXUNJN-LURJTMIESA-N	236.036	-0.700	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC=CC1	2247858488	FUPYXFDSTWJHCP-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC(F)CC1	2247866586	OPZXCKUIAOTZON-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cncc(B(O)O)c1	2247868993	JXQYTUMZHRHGFS-UHFFFAOYSA-N	234.064	-0.544	50	10	BBGE	
C#CCN(C(=O)c1ccsc1B(O)O)C1CC1	2247871530	CSZABRSTJNVGQD-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1C	2247879518	TYGDREJXLQPFCR-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCc1ncc[nH]1)C1(B(O)O)CCC1	2247880373	ZSOHXPCINABKLQ-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
CCOC(=O)[C@H](C)NC(=O)C1CC(B(O)O)C1	2247892497	BSUANDWTLJHGPW-KKMMWDRVSA-N	243.068	-0.693	50	10	BBGE	
CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247896080	DUIHBSZIQCRIAE-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCCC[C@H]21)[C@@H]1C[C@@H]1B(O)O	2247899717	PRRKGYPCUUWCNN-FHNUBNKASA-N	238.096	-0.894	50	10	BBGE	
C=CC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248574097	OKEYORWSKSTHIG-GJMOJQLCSA-N	241.052	-0.615	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)[C@H](C)C(=O)O	2248589040	LICGPCBQCAUROF-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1C[C@H]2C=C[C@H](C1)C2	2249308583	DSKRLOFZOSILQN-UWVGGRQHSA-N	233.076	-0.185	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CNCC12CC2	2249971686	VNZWZWQFYKBMHK-VGMNWLOBSA-N	238.096	-0.940	50	10	BBGE	
O=C(CC1(C(=O)O)CCCCC1)NCB(O)O	2251304844	SHTDZNVRJWFWMU-UHFFFAOYSA-N	243.068	-0.460	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CNCC1(C)C	2251539112	DTQPZWABNGTXNW-MRVPVSSYSA-N	240.112	-0.550	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ccnn1C	2254007163	HELNUHQUOFFXES-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@@H]3CC[C@@H]23)n1	2255486440	AMSVWDTZQJVTLE-HTQZYQBOSA-N	246.075	-0.792	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cncc(B(O)O)c1	2255524055	UYWGTJIDRMOQNM-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
NCc1ccc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2255766385	CHDOAJAIBIPRGN-MNOVXSKESA-N	248.091	-0.376	50	10	BBGE	
CC=C1CN(C(=O)c2ncc(C)cc2B(O)O)C1	2255792192	CPESZBAOLNHSNE-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
Cc1cccc(OCC(=O)NCC#CB(O)O)c1	2256638497	AZELAZCALUCSMC-UHFFFAOYSA-N	247.059	-0.495	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC[C@H]3C[C@H]32)c1	2261370299	QSOHUTWZOXMURE-GXSJLCMTSA-N	247.107	-0.733	50	10	BBGE	
O=C([C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)N1CC[C@@H](B(O)O)C1	2303103537	FMDSYJBOBZIPII-PMXSCFQLSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303110663	BYPFCLIOLOQXSD-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1cc(N2C[C@@H](F)[C@H](F)C2)ncc1F	2303834175	AZEZQZAYOIAAIS-HTQZYQBOSA-N	245.997	-0.603	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1CC1(C(=O)NN)CC1	2304308996	GFSVKTSVEURATO-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CN(c2ccc(C=O)c(B(O)O)c2)CCO1	2317351923	QEWGHRSAKCOQEG-SECBINFHSA-N	249.075	-0.596	50	10	BBGE	
O=Cc1ccc(OC2CCNCC2)cc1B(O)O	2317352303	XGEOZIWGSLQAIN-UHFFFAOYSA-N	249.075	-0.690	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccc(B(O)O)c(C)c1	2319332118	PXHIBNQHEWXSHS-LLVKDONJSA-N	245.087	-0.133	50	10	BBGE	
Cc1ccnc(COc2ncc(B(O)O)cn2)c1	2320492982	FAANKSKBSIHOFH-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
C[C@H](CN(C)C1CCN(C)CC1)C(=O)NN	58853512	HDYNFENNNMRAML-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)CCCCCN1CCOC1=O	70596917	UEAJIQYSDKPVEK-UHFFFAOYSA-N	215.253	-0.011	50	10	BBGE	
NS(=O)(=O)CCNC(=O)CCCCl	70910330	RLMOBOVYLYYJTI-UHFFFAOYSA-N	228.701	-0.590	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCO1	82469919	SOCYEGZFFBATJX-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](O)C1	82470425	RVCNDJMVKKWBBN-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CCCCN(CC(N)=O)CC(C)(C)C(=O)NN	93728003	IGPLEFFRVSNDFZ-UHFFFAOYSA-N	244.339	-0.410	50	10	BBGE	
Cc1cc(C)n(CC(=O)NN(C)C(N)=O)n1	181069608	PRWRGQWFHWIYEL-UHFFFAOYSA-N	225.252	-0.458	50	10	BBGE	
N[C@H](CO)[C@@H](O)CI	196475552	SCOHCDDDVPSGMT-DMTCNVIQSA-N	231.033	-0.898	50	10	BBGE	
OB(O)c1cc2cccnc2nc1Cl	196518316	IBIFBFMDPFKTBC-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
CC[C@@H]1CN(Cc2ccc(B(O)O)cc2)CCO1	199012080	AVMPITPWULMOLX-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ccccc1O[C@@H]1CCOC1	203531749	WKKJRQJUUKVSCO-MRVPVSSYSA-N	208.022	-0.466	50	10	BBGE	
OB(O)c1cc(CN2CCOCC2)cs1	204325043	AETMDKFBTJUQKC-UHFFFAOYSA-N	227.094	-0.740	50	10	BBGE	
O=C1NC(=O)[C@@H]2C[C@H](Br)CN[C@@H]2N1	208897754	ZNGUCFCGLOHRPA-VPENINKCSA-N	248.080	-0.475	50	10	BBGE	
O=C(NNc1nn[nH]n1)c1ccccc1	223069845	SHTOCECYFRVSCA-UHFFFAOYSA-N	204.193	-0.043	50	10	BBGE	
CC(C)S(=O)(=O)Nc1ccccc1B(O)O	224776357	VPPZKMYKQKNKSL-UHFFFAOYSA-N	243.093	-0.484	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)C1CCC1	228568852	YWESPMSSKVYOGS-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
C[S@](=O)CCNS(=O)(=O)CCCl	232301366	CMHHJMLPAQOBPC-NSHDSACASA-N	233.742	-0.477	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccco1	232419184	YCMDAIAUGTWZMJ-SECBINFHSA-N	227.264	-0.284	50	10	BBGE	
CC(=O)N[C@H](CS)C(=O)NN(C)C	234229964	SPDLXHSOJRCCJN-ZCFIWIBFSA-N	205.283	-0.986	50	10	BBGE	
CCC(=O)N[C@@H]1CSC[C@]1(O)C#N	238212785	ISUGWPJXXGFBFM-HTRCEHHLSA-N	200.263	-0.117	50	10	BBGE	
CSCC[C@@H](NC(C)=O)C(=O)NN	238360134	VEAWRDWRBWOHCL-ZCFIWIBFSA-N	205.283	-0.766	50	10	BBGE	
Cc1nc(C(=O)NC[C@@H](O)CCl)no1	238485872	BQIIWDDXQDXWCH-YFKPBYRVSA-N	219.628	-0.292	50	10	BBGE	
O=C(CBr)OS(=O)(=O)O	238715442	DLYHZMWUEJMSGW-UHFFFAOYSA-N	219.012	-0.273	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	302480504	YPYBOSJXSMZMII-NFQPTNBHSA-N	239.319	-0.542	50	10	BBGE	
CN(NC(=O)c1cnns1)C(N)=O	306168286	VXXJZMNEEVXLOY-UHFFFAOYSA-N	201.211	-0.807	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@@H]([C@H](Cl)[C@@H]2O)[C@@H]1CO	307225609	DFIHVBUECDQBBC-MSKRCNKPSA-N	206.669	-0.179	50	10	BBGE	
CN1CC[C@H]2CN(CCC(=O)NN)C[C@@H]2C1	309338108	KKPKSRUPLDIFMP-UWVGGRQHSA-N	226.324	-0.750	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@H](N)C2)n1	328404271	NEKZXECNSDSIIE-LURJTMIESA-N	241.320	-0.720	50	10	BBGE	
CONC(=O)NNc1nncc(N)c1Cl	380118028	UGSWXVGSKLYCLY-UHFFFAOYSA-N	232.631	-0.100	50	10	BBGE	
Cn1cc(C(=O)N2CCOC[C@H]2CCl)nn1	380900819	XBNZRCYIJRMZLX-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCN(C)C1)C(=O)NN	389609532	APQSGQNNBXHFCU-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CCNC(=O)[C@H]1CCCC1=NNC(N)=O	394720848	KEPUJQLFRTZQIG-LURJTMIESA-N	212.253	-0.053	50	10	BBGE	
N#Cc1cc(CCC(=O)O)cc(B(O)O)c1	396100285	MHLGYGNWVSYJBP-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
C[C@H](C(=O)Nc1cc(B(O)O)ccn1)C1CC1	405004482	NYGZNZOXLWJING-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CCc1nc2cc(C(=O)NN)ccc2c(=O)n1N	675046520	HQULBZUGFKXLSF-UHFFFAOYSA-N	247.258	-0.724	50	10	BBGE	
CC[C@]1(C)COCCN1CC(=O)NN	687848143	RSXKDBUDQCAZOK-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)Cc1ccc(B(O)O)cc1	688222351	LVJRYFOYKIDROM-ZWNOBZJWSA-N	249.119	-0.167	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689157468	DBZDFAKBVSQJNS-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	690068034	UNQHTJNRZJYBLK-NXEZZACHSA-N	235.048	-0.660	50	10	BBGE	
C[C@H](CO)[C@H]1CCCCN1[C@@H](C)C(=O)NN	699959590	JOQJSRMYFORESP-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
NC(=O)NNC(=O)[C@H](O)c1ccccc1	700869775	YQNBJIJAHWHOBB-SSDOTTSWSA-N	209.205	-0.581	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703508662	YNOOPPLDXFLJJO-HLTSFMKQSA-N	242.323	-0.659	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)CCC(=O)NN)CCO1	705869822	PXBMJNQQFJNUBU-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CCC1(O)CN([C@H](CC(C)C)C(=O)NN)C1	710027649	XJWHJZHXYXDXBI-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710474868	FGQXBYZFXQISEY-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CN(C)C(=O)N1Cc2cccc(B(O)O)c2C1	713286904	VBDUEGYSYCMKCO-UHFFFAOYSA-N	234.064	-0.636	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3C[C@@H]3C2=O)n1	715553582	YCHZHICUXFXXJY-CBAPKCEASA-N	246.270	-0.337	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718160152	MEUPWLUNEHBYPL-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718289970	LHVUIOINCYZOHH-GUBZILKMSA-N	227.308	-0.136	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1cnn(C)c1	900748266	ZVYVCMLCDBMSOU-TUUFMJSCSA-N	238.247	-0.882	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@]12CCCN(CC1)C2	911443870	AUZYUTZWBNEELY-JQWIXIFHSA-N	241.335	-0.184	50	10	BBGE	
C[C@@H]1N[C@H]([N+](=O)[O-])CN1C[C@H](O)CCl	1083805717	UERXILNOSKVFHF-FSDSQADBSA-N	223.660	-0.560	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cc(O)ncn1	1161066068	DJQPUKQCIXZTRA-UHFFFAOYSA-N	231.215	-0.244	50	10	BBGE	
CC(=O)NCC(=O)NNc1ccc(C#N)cn1	1177403195	CIBPWQBRHWZJBX-UHFFFAOYSA-N	233.231	-0.468	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CCNC(=O)C1	1289982026	DXNXUEGKXSTYAC-FPLPWBNLSA-N	223.232	-0.611	50	10	BBGE	
CC[C@@H]1C[C@@H](C=NNC(=O)C(N)=O)CCO1	1323581631	BTIMXLGXOZTJIF-JGVFFNPUSA-N	227.264	-0.221	50	10	BBGE	
COCCOCC(=O)NNc1nnc(C)n1C	1351620791	XJFHTNDGSLFOFR-UHFFFAOYSA-N	243.267	-0.770	50	10	BBGE	
CNC(=O)NNC(=O)COc1ccsn1	1442143740	QJVAIIAWQZJFLA-UHFFFAOYSA-N	230.249	-0.518	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCO1)c1ncon1	1538716571	KPGUUHNVPAHUNB-YFKPBYRVSA-N	226.192	-0.990	50	10	BBGE	
CC(=O)NNC(=O)c1cnc2[nH]ncc2c1	1539518646	UPWAHLINOPJDNT-UHFFFAOYSA-N	219.204	-0.261	50	10	BBGE	
O=C(Nc1cnns1)c1ccc(B(O)O)cc1	1616462597	LKEGPMCJJYSKOM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(NNc1ccc(Cl)cn1)C1(O)COC1	1630545294	YQAOUUOJZSFUCM-UHFFFAOYSA-N	243.650	-0.061	50	10	BBGE	
O=C(NC(CO)CO)[C@@H]1C[C@H]1Br	1877346885	CUSYAKGERAODDF-PHDIDXHHSA-N	238.081	-0.761	50	10	BBGE	
O=C1CN(CCCl)C[C@H]2COCCN12	1886676181	CIENDCRSMNAENI-QMMMGPOBSA-N	218.684	-0.232	50	10	BBGE	
C[C@@H]1SCCC[C@H]1NC(=O)C(=O)NN	1893762334	QUPVYSFZAZURFW-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)S(=O)(=O)C1	1893840563	YXSCSUNGMPKFCO-RNFRBKRXSA-N	235.309	-0.964	50	10	BBGE	
C[C@@H](CO)N(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1895941871	YRQSJAHJTYLXGH-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1905729372	LIALNQXBCWLKSO-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCn1cc(B(O)O)ccc1=O	1908591703	LKXMKWPCWOPMGV-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H](CN1CC=CC[C@H]1CO)C(=O)NN	1909020137	ZCOIYYYRBPMALZ-IUCAKERBSA-N	213.281	-0.765	50	10	BBGE	
COc1ccc([C@H](N)B(O)O)c(OC)c1	1912277876	MTYYGZOBGXDRQX-VIFPVBQESA-N	211.026	-0.284	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOCC12CC2	1915586700	AVVBSBDMQCBILH-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)C1COC1	1915659271	XMXNZRBIMADISB-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154705	IASMRYGBNJNLFA-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C#CCOCCN1CCC(O)(C#N)CC1	1930876989	OEKRFBDXVOSLHE-UHFFFAOYSA-N	208.261	-0.013	50	10	BBGE	
CCN(CCO)CC1(C(=O)NN)CC1	1931265612	SFQUJLGFCMMYAE-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
COCC1(O)CCN(C(=O)NN)CC1	1931670746	BNSHUWMWQFNOLG-UHFFFAOYSA-N	203.242	-0.957	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)[C@@H]1C	1936533036	KJIDBRDUCZTKQE-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnn(Cc2ccncc2F)c1	1938360126	YUCVGDRHAFEZFX-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
CC(C)CC1CN(CCOCC(=O)NN)C1	1938436872	RQDWNVYBIQJMFW-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCCCC2=O)C1	1940289001	BWDIJOBFMCYTQU-QMMMGPOBSA-N	240.307	-0.939	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H]2COC[C@@H]21	1940891087	JNPQJXIBKJOHKJ-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941082140	FJMCWIWGIRVXIX-LMLFDSFASA-N	240.351	-0.363	50	10	BBGE	
CCCN(CC(=O)NC)C[C@@H]1C[C@H]1C(=O)NN	1941089584	WGAFXEUEEFDGOI-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
CN(Cc1cncn1C)C[C@@H]1C[C@H]1C(=O)NN	1944729157	ZURLQILPOKTGNE-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)CC2(CCC2)C1	1946084266	RGRGHYCQMMVVLV-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)c1coc(CN2CC(CCO)C2)n1	1946929186	YPPZWMHQXQTZTN-UHFFFAOYSA-N	240.263	-0.908	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(CC1(C(=O)NN)CC1)C2=O	1946987752	NEQSCCQZMGYYTG-WKEGUHRASA-N	237.259	-0.849	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1nc(=O)o[nH]1	1954102280	WZMQMVPRNXNWCM-VKHMYHEASA-N	205.601	-0.394	50	10	BBGE	
CC[C@H](Sc1ncncc1N)C(=O)NN	1957980192	OCXDXAUCCVWSNK-LURJTMIESA-N	227.293	-0.081	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1cccc(B(O)O)c1	1969323213	MDYFDCYMFSUUIK-QMMMGPOBSA-N	241.002	-0.496	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)C1(C)CS(=O)(=O)C1	1974772548	MMHGPFFXWPRGGY-ZETCQYMHSA-N	249.719	-0.222	50	10	BBGE	
CNC(=O)NC1CCN(C[C@H](O)CCl)CC1	1978821947	NBXSBEFVZJZAGF-SECBINFHSA-N	249.742	-0.021	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCn2nccc2C1	1978919189	JRQFXCQOXCVJAT-MRVPVSSYSA-N	224.264	-0.941	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C[S@@](C)=O)C1	1979480016	MKYLWPXFWKKWTQ-DBQHQPDYSA-N	247.364	-0.689	50	10	BBGE	
CCn1nnnc1CN=c1[nH]nc(CCl)o1	1980594882	VYYLQUSWGOBFPV-UHFFFAOYSA-N	243.658	-0.151	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCC[C@@](O)(C(N)=O)C1	1982344373	RCYKSVFJSCSYEG-XCBNKYQSSA-N	248.710	-0.157	50	10	BBGE	
CN1CC[C@@H]2OCCN(C[C@H](O)CCl)[C@H]2C1	1986865127	STKOXQZIQYRDSA-VWYCJHECSA-N	248.754	-0.009	50	10	BBGE	
CN(CCCC(=O)NN)CC12CC(CO1)C2	1989832989	JWSNBZZXMWEQTA-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H](F)C1	1990774247	GMUUWPOPXMZGEJ-SECBINFHSA-N	231.271	-0.022	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](O)C1(C)C	1991462257	UMUJMXZGXLDIDL-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)[C@@H](CO)C1	1991650979	QFINCFKDARVGCU-SFYZADRCSA-N	247.678	-0.490	50	10	BBGE	
C=C(CN(C)C[C@@]1(C)COCCO1)B(O)O	1992145025	HLQMNDPJIKHJCI-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1Cc2cnn(C)c2C1	2003028476	VZARZWUANRLBBK-JGVFFNPUSA-N	237.307	-0.250	50	10	BBGE	
C[C@@H]1COCCN(c2ccc(B(O)O)cn2)C1	2004916021	GTUXVCSRKGRTCU-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1[C@@H]2CCC[C@@H]12	2004918873	QZYMMDAQMTWPJX-NXEZZACHSA-N	232.092	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(CCN(C)C)C1	2007715504	GRZAEELNFHHOSX-VHSXEESVSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)CN1CC[C@@](O)(c2ccccc2)C1	2008257194	NXTXBZVWGJRLQF-LBPRGKRZSA-N	235.287	-0.430	50	10	BBGE	
Cc1nn(Cc2cncnc2)c(C)c1B(O)O	2008999383	LGNJLCWJMMERCQ-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013677416	LYSKYZAAKCLJNJ-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CN2CCC1CC2	2020068396	QUVGAAMPDNXSOY-JTQLQIEISA-N	238.096	-0.987	50	10	BBGE	
Cc1ccnc(O[C@@H]2CCN(C)C2)c1B(O)O	2021068142	MUEPGCPDCMONPJ-SECBINFHSA-N	236.080	-0.847	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3C[C@H](C2)O3)cc1	2021437557	LIMLSWYWCMVICJ-TXEJJXNPSA-N	233.076	-0.661	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@@H]1C	2022195959	DRCWGIOIEYREGH-AKZRSSKFSA-N	233.076	-0.249	50	10	BBGE	
C[C@@H]1CCN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023853068	KGEKWAGRXYFFBQ-YUSALJHKSA-N	239.319	-0.133	50	10	BBGE	
Cc1ccnc(N2CCC3(COC3)C2)c1B(O)O	2052471180	CWHHVXPUUDHJKK-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)c1ccncc1B(O)O	2056383135	GZIZBIYWDFNCTD-KBVBSXBZSA-N	248.091	-0.768	50	10	BBGE	
CCOc1c(B(O)O)ccc(F)c1[N+](=O)[O-]	2060125103	JINCXLPJUKTRQX-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
O=Cc1ccc(OC(F)F)c(F)c1B(O)O	2060263282	LJGWRLMKXYYWIA-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
COc1c(B(O)O)ccc(C=O)c1OC(F)F	2060325107	XNKANPNHCYPAEF-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
CN(CCC(=O)NN)c1ccc(=O)n(C)c1	2210279780	ALTIPTZFMQOSPM-UHFFFAOYSA-N	224.264	-0.799	50	10	BBGE	
OB(O)c1ccc(OC2C[C@H]3C[C@@H]3C2)nc1	2212293981	OFZWPHYHLFBGDH-HTQZYQBOSA-N	219.049	-0.061	50	10	BBGE	
CCNC(=O)Nc1ccc(Cl)c(B(O)O)n1	2212763325	GAEVDYKFRYLWRM-UHFFFAOYSA-N	243.459	-0.444	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCC[C@@H]1O	2212899257	JSSZCNRGJJEOTO-ZJUUUORDSA-N	243.307	-0.611	50	10	BBGE	
CN(Cc1ncon1)C[C@H]1CC[C@@H]1C(=O)NN	2215774269	CZAQZJDJQPOWSL-SFYZADRCSA-N	239.279	-0.483	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]1(F)CCOC1	2216336864	AVLJXWFOEMHRML-JTQLQIEISA-N	247.270	-0.786	50	10	BBGE	
C[C@H]1CCOC[C@H]1Nc1cc(B(O)O)ccn1	2217172229	IKVTWHXHZZBMCS-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
OCC[C@H](Nc1ccc(B(O)O)cn1)C(F)F	2217177780	NAMSEDCKZRVGGZ-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
CC12CC(C1)N(c1nccc(B(O)O)c1F)C2	2217181266	ZCJSESDLWNFCOW-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)c2cc(B(O)O)ccn2)C1	2217199263	BITUPZYKDRFFMI-AOOOYVTPSA-N	236.080	-0.625	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)ccn1	2217204610	MDSOTSQTOYMTAR-NXEZZACHSA-N	232.092	-0.146	50	10	BBGE	
C[C@@H](CC(C)(C)O)Nc1cc(B(O)O)ccn1	2217204644	MKIPTPWKCKFJIV-QMMMGPOBSA-N	238.096	-0.277	50	10	BBGE	
CN(CCn1ccnc1)c1cc(B(O)O)ccn1	2223627772	NWQLORCQLBTFKD-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
Cc1cnc(N(C)Cc2cnco2)cc1B(O)O	2223645238	UQMCQUDQMQTTHO-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CC1(C)NCCC[C@@H]1Nc1ccc(B(O)O)cn1	2223649250	WAINWJJTZAQQHW-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)C[C@@H]2NCC[C@@H]21	2223658093	JZTPPSAJVWUGEX-NHCYSSNCSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNCC3(CC3)C2)c1	2223664935	ABQPNOQVTMEWEP-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CNC3(CCC3)C2)nc1	2223669372	IXSLUZATLGCNHF-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
CC(C)C[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223669834	PBLGJHMRSKSMJW-NXEZZACHSA-N	249.123	-0.328	50	10	BBGE	
C#Cc1cccc(Nc2ncc(B(O)O)cn2)c1	2223677249	LSGBJEYXYPEMKM-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
CO[C@@H]1CN[C@H](CNC(=O)F)[C@H]1OC	2241270805	SBUHEBWBQBKFBM-FSDSQADBSA-N	206.217	-0.333	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(F)C1	2241480110	IIAWUYWRUVJCSJ-UHFFFAOYSA-N	201.006	-0.580	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC2(CNC2)C1	2242112075	GOYQBOVBRNKEJG-QMMMGPOBSA-N	215.684	-0.208	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@@H]2C[C@H]21	2243356652	LFUCPIWBUSPLCQ-RNFRBKRXSA-N	237.089	-0.338	50	10	BBGE	
COC(CN(C)C(=O)C1(B(O)O)CC1)OC	2243363351	FLLQVFKKKUUGKW-UHFFFAOYSA-N	231.057	-0.929	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)F)c(B(O)O)s1	2243378076	MCZDWGXOLLJBFD-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C(Nc1ccnnc1)C1CC(B(O)O)C1	2243390852	CDOGUVLQUCCLDJ-UHFFFAOYSA-N	221.025	-0.332	50	10	BBGE	
COC(C)(C)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243395906	DQNGKFKRYMEYJV-YUMQZZPRSA-N	229.085	-0.267	50	10	BBGE	
C=C=CCC(=O)Nc1ccnc(B(O)O)c1	2243664792	NTQCKOJATVHMIJ-UHFFFAOYSA-N	218.021	-0.569	50	10	BBGE	
O=C(NCC=C(F)F)c1cc(B(O)O)c[nH]1	2243770014	UXYPEFNBIUWNPI-UHFFFAOYSA-N	229.979	-0.795	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2244215115	AKSGKNVZUPEMIA-RCOVLWMOSA-N	223.037	-0.512	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2244343089	CNRYKPVQIYSOOF-PKIKSRDPSA-N	227.308	-0.542	50	10	BBGE	
COC(C)(C)COc1cc(B(O)O)cnc1C	2246745960	ZASFFCZDZDOCQT-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H](C)C2)n1	2247152366	JRXGFWLSOIOWGG-MRVPVSSYSA-N	236.080	-0.384	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1coc(B(O)O)c1	2247722392	MDSDSXYFGHWVBU-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CCC1	2247734984	XEBUMOGXSZQNFI-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2247747846	TWYNFEDWWRTZLG-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
C=C1CC(CO)(NC(=O)C2(B(O)O)CCC2)C1	2247749872	ATQDQIMSHHKYQF-UHFFFAOYSA-N	239.080	-0.419	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H](C)CF	2247751815	CMTQQQYSZSVQCG-ZETCQYMHSA-N	242.059	-0.724	50	10	BBGE	
C[C@H](F)CNC(=O)c1cc(F)ccc1B(O)O	2247752216	KWDKKNHDYPWVRN-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1B(O)O	2247752803	WESVALGKQHYJQD-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2247753588	BAOXCGPEBPUBEN-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC=CCC1	2247768924	AYFPYTRMNFXCJM-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CC[C@@H](C)CCNC(=O)c1n[nH]cc1B(O)O	2247780448	BWCMRVNWXSFTQD-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
COC[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247789179	RDFXXMJUDQIOII-SSDOTTSWSA-N	241.052	-0.967	50	10	BBGE	
C=CC[C@@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247800845	UJFNQICUCPNZSH-OPRDCNLKSA-N	241.096	-0.460	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247805650	CAPQSBLCSNSXLR-ZKCHVHJHSA-N	237.068	-0.379	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H](CCO)C1	2247808575	VJOFNEBONHXALF-OPRDCNLKSA-N	241.096	-0.530	50	10	BBGE	
N[C@@H]1CCCC12CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247809115	NYQHKZVOUBDGNV-DJLDLDEBSA-N	238.096	-0.811	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247810380	XACJLXNVIQZWQH-QLEHZGMVSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]([C@H]1CCCCO1)N(C)C(=O)C#CB(O)O	2247846983	PQEYVJJIPHYFDA-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
CC[C@H](C)NC(=O)c1cc(B(O)O)cn1CC	2247854622	GCNAYUYOAJYVEI-QMMMGPOBSA-N	238.096	-0.284	50	10	BBGE	
CC=CCNC(=O)c1c(C)cccc1B(O)O	2247855157	OBLSBZDRJPMKQA-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
Cc1cc(C(=O)NC2[C@H]3CC[C@H]23)oc1B(O)O	2247855755	XSVGEGXDSJGQAI-BQBZGAKWSA-N	235.048	-0.594	50	10	BBGE	
O=C(Nc1ccncn1)c1ccoc1B(O)O	2247868578	VWHYPCATETWLJL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ccoc1B(O)O	2247869226	OCLJVMNSRLRFDP-CNUIFLNQSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1coc(B(O)O)c1	2247872344	QVFPSQWCGVJTRE-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1occc1B(O)O	2247878312	NKHNXMMXXWGKOY-CBAPKCEASA-N	235.048	-0.512	50	10	BBGE	
CN(Cc1ccon1)C(=O)C1CC(B(O)O)C1	2247893096	MDRWOLVWODLZKJ-UHFFFAOYSA-N	238.052	-0.114	50	10	BBGE	
COC[C@@H](C)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247893944	ANTVNPVGXKTJSV-LPEHRKFASA-N	243.112	-0.020	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)c1C	2247896693	JECNOXGKFDPLAM-OCAPTIKFSA-N	237.068	-0.360	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247898818	HZXWSONZVRTQNZ-XHNCKOQMSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC[C@@H]1CCCNCC1)[C@@H]1C[C@@H]1B(O)O	2247898826	IANCUXQWCJOVOV-BBBLOLIVSA-N	240.112	-0.645	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](O)CC	2247900792	ZSANOUNXQXXXMA-AATLWQCWSA-N	243.112	-0.095	50	10	BBGE	
CC(C)(C)NC(=O)c1ccc(B(O)O)cc1O	2247961552	GNXXGHFQDVQUAD-UHFFFAOYSA-N	237.064	-0.400	50	10	BBGE	
O=C(O)[C@@H](F)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2248577040	IHXQPGMQPRXWAW-ACZMJKKPSA-N	247.031	-0.832	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248586076	VJONESGMJSJLBH-GJMOJQLCSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2248593575	OLBGQUPKRIJAPT-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)cn1C	2249306042	WBGPLMVLFBUTIV-ZETCQYMHSA-N	242.059	-0.865	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1O[C@H]2CC[C@H]1C2	2249417521	HHTMJTGKLSQVLT-YUMQZZPRSA-N	237.020	-0.732	50	10	BBGE	
O=C(NCC1CC=CC1)c1cocc1B(O)O	2249423216	VAZYCKIOMSYRRR-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)NCCC#CB(O)O)C1	2249999324	UPFITKBDYHOJNH-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
CON(CC1CC1)C[C@H]1CC[C@H](C(=O)NN)O1	2251005597	CAFWDBQHGUVXTR-NXEZZACHSA-N	243.307	-0.203	50	10	BBGE	
CCNCc1cccc(NC(=O)C#CB(O)O)c1	2255671397	QQFSXYGPUGNNFR-UHFFFAOYSA-N	246.075	-0.250	50	10	BBGE	
Cc1ccc2c(c1)CN(C(=O)C#CB(O)O)CC2	2255679298	GEDFJDHGBSBEOH-UHFFFAOYSA-N	243.071	-0.105	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NC2CCC2)c1	2255691882	IQXQWZFFAAESOU-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CC[C@@H]2C1	2258152649	HOYJOMWPTDDYRV-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccnc(OC2(C3CC3)COC2)c1B(O)O	2260133123	STQRXSLGTWLMPE-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2298369539	XWBBHIABUKAEEM-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CC[C@H]1C2	2298530469	PNWHISDKGLFSDW-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298568890	QNVQMRZVBFTNHW-ZBGLXGBJSA-N	239.080	-0.467	50	10	BBGE	
C[C@]1(CO)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300385668	XDXNHYWXBBGWCF-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CON(CC1CC1)c1cc(B(O)O)c(F)cn1	2303847176	DZLHGLDYPLZZND-UHFFFAOYSA-N	240.043	-0.322	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H](F)C1	2307366283	AXPXDOBDAQSBBD-KNVOCYPGSA-N	241.027	-0.502	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3CN[C@H]2C3)cc1B(O)O	2312612270	MAQYZGFWLDJHQL-DVVUODLYSA-N	247.107	-0.768	50	10	BBGE	
C[C@@H](CCO)N(C)c1ccc(B(O)O)cc1C#N	2317150876	KOIXZBRMXVPPQC-VIFPVBQESA-N	248.091	-0.555	50	10	BBGE	
Cn1nnc(CC(=O)NN=Cc2ccccc2)n1	2325902502	VPGKRDXIVMMMIU-UHFFFAOYSA-N	244.258	-0.097	50	10	BBGE	
CCOC(=O)/C(N)=C(/C#N)C(=O)OCC	39240449	YJDSWAHRCMQJPH-VOTSOKGWSA-N	212.205	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)CC(=O)O	85158167	QJLKNOUPZVGXHY-RXMQYKEDSA-N	234.277	-0.250	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H](C#N)C1	86656758	WSTUENXWZYMOQR-RKDXNWHRSA-N	226.280	-0.775	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@@H](N)C2)cc1	97812246	CJLOSQWUGKLFNA-GFCCVEGCSA-N	248.330	-0.248	50	10	BBGE	
CC(C)N(CCO)C[C@@H]1CC[C@H](C(=O)NN)O1	104115436	NPTOGILJRJFJFM-VHSXEESVSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C(N)=O)CC[C@H]1C	110586584	RTYLOTNNWORLLS-VGMNWLOBSA-N	242.323	-0.659	50	10	BBGE	
CN1CCC[C@@H](N2CC(=O)OC(=O)C2)C1	111218010	MESDKMDZKLGTJX-MRVPVSSYSA-N	212.249	-0.534	50	10	BBGE	
Cn1ncnc1COc1ccc(B(O)O)cc1	203545127	LEPAWJMTPKXARP-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
Cc1ccnn1Cc1ccc(B(O)O)cc1	203618773	XZYFINDPUOPLCG-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
OB(O)c1cc(C2OCCO2)cnc1Cl	221599549	OGVPJXFGBUJQQY-UHFFFAOYSA-N	229.428	-0.540	50	10	BBGE	
CCN(CC(N)=O)Cc1occc1C(=O)NN	231828477	CQJSJRUOVTZTTI-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
CO[C@H]1CC[C@H](N2CC(=O)OC(=O)C2)C1	234813375	SRANJHITKGIPPM-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](C)[C@H](C)C(=O)NN	252609442	TXASFHMYMXKCTK-IUCAKERBSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)C(C)(C)C1	304580133	QNIRCPAIVNCFRA-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
Nc1cc2scc(N)c2cc1B(O)O	306692723	RZVQTEDKZCKTHF-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C)CCC(=O)NN	309426741	YRCQPMLBFGXNMD-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
Cc1nccn1-c1cc(F)cc(B(O)O)c1	309493343	BNNLVRGMGLZOGB-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
CN(CCCCO)C[C@@H]1CC[C@@H](C(=O)NN)O1	384819605	LSEXIASHIMFGEP-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CN=c1[nH]nc(SC[C@@H](C)C(=O)NN)s1	385241198	CXFMUPLRNRPNSO-SCSAIBSYSA-N	247.349	-0.280	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	405018107	CPGSBAGZUYHLCD-KCJUWKMLSA-N	233.076	-0.361	50	10	BBGE	
Cn1ccc(C(=O)Nc2ccc(B(O)O)cc2)n1	405047555	FMHXVZQPCLULTG-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@]1(C(=O)Nc2ncc(B(O)O)s2)C[C@@H]1F	405067734	WYQJEJHCYBIESN-NVNXEXLPSA-N	244.056	-0.491	50	10	BBGE	
O[C@H](CCl)CN1CCN2C[C@@H](O)C[C@H]2C1	405242118	WSEODDONCJKNAM-LPEHRKFASA-N	234.727	-0.663	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCOC[C@H]1O	575562700	BEYCIJVBQDKQGB-RRKCRQDMSA-N	207.657	-0.120	50	10	BBGE	
O=C(OCCl)N1CC[C@](O)(CO)C1	642866476	JMEUMTHUTHMTHU-SSDOTTSWSA-N	209.629	-0.252	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](C)[C@@H]1CO	688738580	PFXUTJIWHBWGGS-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CCO[C@H]1CCN([C@H](CC)C(=O)NN)C1	701692200	DFIDMLASYSCOMS-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN1CCC[C@@H](CN(C)CC(=O)NN)C1	705216627	OJFBBHCPAYNOQI-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
CCC[C@@H](CNC(=O)C(=O)NN)OCC	705368651	MJBANRYSLHGJPF-ZETCQYMHSA-N	217.269	-0.702	50	10	BBGE	
NNC(=O)CCCN1CC(C(F)F)C1	706486175	DPVHOQIKUGIOAP-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)[C@@H]1CCCCO1	711982897	KDSNTHCYHJDCGA-SFYZADRCSA-N	229.280	-0.702	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cnsn2)CC1	894282718	CNECAAYUVDSCID-UHFFFAOYSA-N	242.260	-0.522	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)c1cnsn1	894287901	LPNWLZRVAYLERH-SCSAIBSYSA-N	230.249	-0.666	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1ncon1	1230478942	SJANXIVPJWWKFA-RXMQYKEDSA-N	223.192	-0.965	50	10	BBGE	
Cc1ncc(S(=O)(=O)NNC(=O)N(C)C)[nH]1	1318199643	PKFBVBXERGDNQY-UHFFFAOYSA-N	247.280	-0.817	50	10	BBGE	
C=CCOCC(=O)NNC(=O)[C@]1(C)CCCO1	1324754651	CGCILCSMHCNHOE-NSHDSACASA-N	242.275	-0.095	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)N(C)C)[C@@H]1CCOC1	1328183832	GKLOJQDXYJODGT-SFYZADRCSA-N	245.279	-0.660	50	10	BBGE	
O=C1NCCO[C@H]2CCCN(C(=O)CCl)[C@H]12	1348502124	IWAUVCNMFIAVDT-CBAPKCEASA-N	246.694	-0.269	50	10	BBGE	
CC(=O)NNC(=O)/C=C/c1cn(C)cn1	1587587936	NIZFHPXCQFIVOF-ONEGZZNKSA-N	208.221	-0.399	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)[C@H](C(=O)O)[C@H]1C	1614489017	KJCZPNBVFPDREP-SRQIZXRXSA-N	201.226	-0.389	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1cc[nH]n1	1640344931	FYGKJRBVMHRKFO-GQCTYLIASA-N	224.220	-0.279	50	10	BBGE	
NC(=O)NC(=O)[C@@H]1C[C@@H]1Br	1877355645	DXZCIEJLXXZHGT-GBXIJSLDSA-N	207.027	-0.035	50	10	BBGE	
CNNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C	1880054917	VYCLSYRHZXIDPI-SSDOTTSWSA-N	247.295	-0.487	50	10	BBGE	
O=C(CCl)N[C@H]1CCOC[C@@H]1CO	1883240936	ROGZMFHZAFGHEK-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
NNc1ncnc(=NC2CC(Cl)C2)[nH]1	1884411870	JSNUVYSSYKOPLM-UHFFFAOYSA-N	214.660	-0.239	50	10	BBGE	
O=C(C1CSC1)N1CC[C@@H](B(O)O)C1	1891516930	KGVDGICEAKFYQB-SSDOTTSWSA-N	215.083	-0.575	50	10	BBGE	
C[C@H]1CC(=O)N([C@@H](C)CC(=O)NN)C1=O	1893837496	BPBCZTKNEJWOPO-WDSKDSINSA-N	213.237	-0.850	50	10	BBGE	
C[C@H]1SCCN([C@H](C)CC(=O)NN)C1=O	1893845698	LCCQONXASHSZKI-RNFRBKRXSA-N	231.321	-0.281	50	10	BBGE	
COc1ccc(=O)n([C@@H](C)CC(=O)NN)n1	1894124185	BAXJNMKEIRKTNK-LURJTMIESA-N	226.236	-0.807	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@@H]2[C@H]1CO	1896435056	LAFZHZZTBWTIGV-BIIVOSGPSA-N	239.724	-0.132	50	10	BBGE	
CC(C)CONC(=O)c1cnsc1B(O)O	1900474886	MFUDVCXZINKRRJ-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NNCCO)O1	1900829683	SUGWCNOWZPBTCV-JGVFFNPUSA-N	202.254	-0.443	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1COC2(CCC2)CO1	1901046090	SLDQUJSKXQKXJC-ZCFIWIBFSA-N	229.236	-0.976	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](O)C1(C)C	1901757810	WDTJSBJCRAECLO-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CCC(N)=O	1901764902	UKLUUCCSSQZXJF-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1O[C@H]2CC[C@H]1C2	1905136028	AQJUNQVVSDNWQT-GUBZILKMSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]2(CO)CCC[C@@H]12	1906324944	NAOQTUCRFLEAEQ-LDYMZIIASA-N	241.291	-0.870	50	10	BBGE	
C[C@H]1CCCN(CCOCC(=O)NN)C1	1928180292	ZFIWSKIRGLTTPQ-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@]1(OC[C@H]2C[C@@H]2C(=O)NN)CCOC1	1928536968	MZNFSRHFITYHIJ-WEDXCCLWSA-N	214.265	-0.192	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)C[C@@H]1F	1928692131	KRWDFEPCZKHMDK-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@H](Cl)CN(C)C(=O)Cn1cnnn1	1928697014	UYXIFFPSOJDJCF-LURJTMIESA-N	217.660	-0.241	50	10	BBGE	
C[C@H](N)CSC[C@H]1C[C@@H]1C(=O)NN	1931386512	HINZCBDMXMHQJJ-XVMARJQXSA-N	203.311	-0.307	50	10	BBGE	
C[C@@H]1[C@H](CN(C)CC(=O)NN)C1(F)F	1933036425	SULUEPXFXWBYTO-RITPCOANSA-N	207.224	-0.191	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	1936082958	GYJQNCMXDKBWCT-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
CC[C@H]1COCCN1CC1(C(=O)NN)CC1	1938245917	BSPJFZPURHBLBJ-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@]2(CCOC2)C1	1941085441	LYPAXOOENRWAKV-HOSYDEDBSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CCO)C1	1941088832	SEJIVPCGXAKASP-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@H]1C	1944297585	GNPAYQDEILPZMS-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2[C@H](C1)C2(F)F	1946730045	XIYXHTQYBRLRFR-BIIVOSGPSA-N	249.261	-0.422	50	10	BBGE	
COC[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1	1951321793	HEZPLWHTGKLVGF-SFYZADRCSA-N	215.058	-0.656	50	10	BBGE	
CO[C@H](CCSC)[C@@H](N)[C@H](O)C#N	1952792397	GZSUMXOSIXLGPO-PRJMDXOYSA-N	204.295	-0.034	50	10	BBGE	
C[C@@H](Cl)C(=O)C[C@H]1CS(=O)(=O)CCN1	1955173730	YFYUECPCJMQJQB-RQJHMYQMSA-N	239.724	-0.041	50	10	BBGE	
NNC(=O)NC[C@@]12COC[C@H]1C2(F)F	1955744903	FCYJKPHJXDRFRQ-INEUFUBQSA-N	207.180	-0.559	50	10	BBGE	
CC(C)[C@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1960615601	BBLRVAOAQUGLCZ-ZIDLFYJRSA-N	236.341	-0.425	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[S@](=O)C(C)(C)C1	1961394481	SHXWCPQARDFEGI-MLXNANBUSA-N	233.337	-0.792	50	10	BBGE	
OB(O)c1cnc(OC2CC=CC2)nc1	1961687981	PWGRMXICIOXHAB-UHFFFAOYSA-N	206.010	-0.746	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)[C@@H]1C	1961691863	QUEAYYBAOKADDJ-RNFRBKRXSA-N	207.042	-0.999	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC1)COC2	1974883491	QEXQHYNTHIHOMQ-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H](CCl)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1	1978819172	YYQIHNCJQMMVQO-BIIVOSGPSA-N	247.726	-0.620	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(O)(C(F)F)C1	1981253840	GNVIKEMHFPKKHL-LURJTMIESA-N	237.250	-0.687	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]1CF	1981408614	CJLVWJRBZJCDEM-ZETCQYMHSA-N	225.032	-0.905	50	10	BBGE	
Cc1coc(Sc2ncncc2B(O)O)n1	1981454150	DSXFWEWJABANIG-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
C[C@@H](CN1CC(N(C)C2CC2)C1)C(=O)NN	1981585241	OUBBGJAXRWJTIQ-QMMMGPOBSA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(C1)CC21CC1	1986289310	UIYHSJCJXYBASG-UHFFFAOYSA-N	223.276	-0.327	50	10	BBGE	
CCC[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	1986908187	FYIKNRGASVYQDS-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1C1(O)CC1	1987340778	NMJSZYQUZXAXAC-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1C1(O)CC1	1987341507	SWBGWCOGIVTQFW-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1(CCO)CC1	1988601149	HXPADPZSRHAMBD-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CN1CC[C@@](C)(CN2CC(=O)OC(=O)C2)C1	1990139025	RJJRHIRJINGKPF-LLVKDONJSA-N	226.276	-0.286	50	10	BBGE	
NCCCSC[C@H]1CCC[C@@H](C(=O)NN)O1	1990163690	AVRFDYJRURTAAA-BDAKNGLRSA-N	247.364	-0.004	50	10	BBGE	
O=C(O)C[C@@H]1C(=O)NCCN1C[C@@H]1C[C@@H]1Cl	1991431050	BDFCGEMWHXKCRE-BIIVOSGPSA-N	246.694	-0.111	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](CO)[C@@H](CO)C1	1991652775	RLWPJRARSZBESC-OCAPTIKFSA-N	247.678	-0.633	50	10	BBGE	
C=C(COC1C[C@H](OC)[C@@H](OC)C1)B(O)O	1992148704	SXQPTQPNHXOMFH-UWVGGRQHSA-N	230.069	-0.236	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC[C@@H]1COC	1998228435	VILHYJPUJZAZKX-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1CCCC(=O)NN	2003813371	NTCXXAXLRFEDII-JTQLQIEISA-N	242.323	-0.787	50	10	BBGE	
CC1CC(CN(C)c2ncc(B(O)O)cn2)C1	2004919493	ZPMMKLLTDHETLN-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
COCC(C)(C)N(C)c1ccncc1B(O)O	2004936238	WTTMVEQEWZCDJZ-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CO[C@@H](C)CN(C)c1nc(C)ccc1B(O)O	2005015092	VYGDBFSYTKNEJM-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
Cc1cnc(N2CCO[C@H]3C[C@@H]32)c(B(O)O)c1	2005016354	NYFVIAQQSALVOJ-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
CO[C@H]1COC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	2008125789	QURWANAGXQHLNK-MAUMQABQSA-N	241.243	-0.683	50	10	BBGE	
N#CCC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2013465951	LKGAPXVBKFEJPW-UWVGGRQHSA-N	238.291	-0.631	50	10	BBGE	
Cc1ccnc(N(C)C[C@H]2C[C@H]2F)c1B(O)O	2014734266	FRDOGRCHFOAZKN-RKDXNWHRSA-N	238.071	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)C2(CC2)C1	2014772306	SLRUQVPTKCVFJW-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@@]1(C(=O)N[C@@H]2CCC=C2B(O)O)CCCO1	2020060402	BDJJAOWYDPKIKY-KOLCDFICSA-N	239.080	-0.228	50	10	BBGE	
Cc1ccnc(C(=O)NCC=CB(O)O)c1C	2020067477	HZSNZYOAWYTWGZ-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)cc2)C1	2022196149	HZLRGLROAXYEOQ-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ccc(B(O)O)cn3)C[C@@H]21	2025801397	REEQCYCSSFVHBK-FXPVBKGRSA-N	232.092	-0.146	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC[C@H]2C[C@@H]21	2040236292	OJZFLGVNYHMVLQ-SFGNSQDASA-N	246.075	-0.254	50	10	BBGE	
C[C@H]1CNCCN1C(=O)CN1CC=C(C#N)CC1	2045268192	QDDKSLUCJWDJJH-NSHDSACASA-N	248.330	-0.038	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1c1ccncc1B(O)O	2052498320	BZQJBYQEPOTIDN-GXSJLCMTSA-N	249.123	-0.710	50	10	BBGE	
Cc1nc(N2CC(C(C)(C)C)C2)ncc1B(O)O	2052551864	KLQUBYUSRHBVLK-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
CCc1cc(C=O)cc([N+](=O)[O-])c1B(O)O	2060036193	BAZMEGMWDZYUOT-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
N#Cc1cnn(C[C@@H]2CCC[C@H](C(=O)NN)O2)c1	2073540246	HUTBCSBIXBZHSH-VHSXEESVSA-N	249.274	-0.318	50	10	BBGE	
OB(O)c1ccc(CN2CCC23COC3)s1	2211071969	HMWCBOWVFYOSRG-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
CN(CC[S@](C)=O)C[C@H]1CC[C@H]1C(=O)NN	2211839140	QCDKBAVDTIRDGJ-LGZSNQIQSA-N	247.364	-0.687	50	10	BBGE	
CNC(=O)NCc1sc(C)c(C)c1B(O)O	2211932436	IEMDBWZNBLEREM-UHFFFAOYSA-N	242.109	-0.526	50	10	BBGE	
C#C[C@@H](Oc1cc(B(O)O)ccn1)C(C)C	2212608725	WACPODBRGWBFJN-SNVBAGLBSA-N	219.049	-0.202	50	10	BBGE	
CC(C)[C@@](C)(CN)Nc1ncccc1B(O)O	2217173710	TTWKTACDHXCZQP-LLVKDONJSA-N	237.112	-0.453	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCN2)c1F	2217179711	BKSKYSUSHGVMNK-SSDOTTSWSA-N	239.059	-0.936	50	10	BBGE	
CC[C@@H](CN)COc1nccc(B(O)O)c1F	2217187758	DJALDLVZNPZTKH-ZETCQYMHSA-N	242.059	-0.736	50	10	BBGE	
Cc1cc(Oc2cc(B(O)O)ccn2)n(C)n1	2217189044	XJCLMBRZNSETOV-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
OC[C@H]1CCCCN1c1cc(B(O)O)ccn1	2217202975	NZCUZQUQCCTWSR-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
CC1(O)CCN(Cc2cccc(B(O)O)c2)CC1	2220059719	SCXDMKLGGQTJIG-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
CC(C)(Nc1cc(B(O)O)ccn1)[C@@H]1CCCN1	2223633739	ANCRWUXWCBSRQS-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1c1ccc(B(O)O)cn1	2223671817	QBNRDGNVUNDSMS-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3NCC[C@@H]32)c1	2223674549	LQFABEIKOZKXFR-GDPRMGEGSA-N	247.107	-0.829	50	10	BBGE	
N[C@@]1(C(=O)N[C@H]2C[C@H](Cl)C2)CCOC1	2241657968	OIMHGDIARKVHBS-ZKWXMUAHSA-N	218.684	-0.010	50	10	BBGE	
CCn1c(O)cc(=O)n(C[C@H](O)CCl)c1=O	2243056512	HQRVYBODOKGXKX-ZCFIWIBFSA-N	248.666	-0.665	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1F)C1(B(O)O)CC1	2243363509	HWABWGWYLKLJIL-BQBZGAKWSA-N	231.032	-0.763	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C(=O)C1(B(O)O)CC1	2243365672	PRVZJZHWWZHGOQ-RQJHMYQMSA-N	225.053	-0.223	50	10	BBGE	
C#CCNC(=O)c1cc(Cl)cc(B(O)O)c1	2243366696	HNERUESFZNOJPD-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243403827	DKUVSHNEPRHMOR-KZVJFYERSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ncsc1B(O)O	2243407883	BKFFVXFPNCXUJI-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
CC1(N)CC(NC(=O)C2(B(O)O)CCC2)C1	2243409168	CGQLFSLLGMBCNV-UHFFFAOYSA-N	226.085	-0.621	50	10	BBGE	
C[C@@H]1CO[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243410245	XUKJAVZHPYGAKP-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CC1(F)CN(C(=O)c2cc(B(O)O)sn2)C1	2243415560	XPQOCULNBYIJAG-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
Cc1scnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243420147	NIEVSHSMIXJIRG-BQBZGAKWSA-N	240.093	-0.069	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243427142	QYUFACYPCDXPEI-XKSSXDPKSA-N	229.085	-0.628	50	10	BBGE	
C=CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2243665737	UXYOCKKPYGOQDM-MRVPVSSYSA-N	219.049	-0.270	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)c[nH]1	2244144932	UAWNXVFHOZUXMO-LURJTMIESA-N	228.032	-0.876	50	10	BBGE	
C[C@@H]1CCS[C@@H]1C(=O)NCCC#CB(O)O	2244549180	ZETFMRRQNYCVLG-BDAKNGLRSA-N	241.121	-0.350	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)c(Cl)cn2)CC1	2245912558	CEQMLAJRXYMMTG-UHFFFAOYSA-N	237.451	-0.041	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)C2(B(O)O)CCC2)c1C	2247721329	BPSCOQBMDPMVRN-UHFFFAOYSA-N	237.068	-0.216	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(B(O)O)c[nH]1	2247742293	MYBAXDPXOIBDFT-YUMQZZPRSA-N	236.080	-0.293	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750203	GDVAJVLQLVYPJI-KCJUWKMLSA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247754496	FAHFLFNCNSNJTD-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](NC(=O)C1(B(O)O)CC1)C2	2247755871	LGOJAOROKNYJHN-OYNCUSHFSA-N	239.080	-0.323	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ccn(C)n1	2247756239	MYCSZJXTHWLSJQ-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2247772512	VVUURQAEMXWAGE-MRVPVSSYSA-N	234.064	-0.757	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H](O)[C@H]1CC2	2247799865	JDCAFBBUJZBZIC-IGORNWKESA-N	239.080	-0.636	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCC1	2247807461	RFMZKWQRXXUDND-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810381	XACJLXNVIQZWQH-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
COC1CCC(N(C)C(=O)C#CB(O)O)CC1	2247850501	PCUMIGNAIWRNIV-UHFFFAOYSA-N	239.080	-0.582	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1coc(B(O)O)c1	2247853204	HUGGDGZUNVVXDB-YUMQZZPRSA-N	235.048	-0.512	50	10	BBGE	
O=C(N[C@@H]1CCNCC1(F)F)C1(B(O)O)CC1	2247853880	SZNNLJLDLRYHHY-ZCFIWIBFSA-N	248.038	-0.893	50	10	BBGE	
CON(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCOC1	2247855475	SRIDAMKCJHGQPM-HRDYMLBCSA-N	243.068	-0.582	50	10	BBGE	
C[C@@]1(CO)C=CCN1C(=O)C1CC(B(O)O)C1	2247859361	MHIMHJNHTKEVJR-AMUVOQDHSA-N	239.080	-0.611	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(C)c(B(O)O)o1	2247890145	HODZDPOFBOYSLP-QMMMGPOBSA-N	235.048	-0.638	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247898549	FMBDJNFYTYPVSP-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
CC[C@]1(N)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899577	OKHCKMNSRFFJIQ-KKZNHRDASA-N	240.112	-0.421	50	10	BBGE	
NCC1CC(F)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900054	SLZWLXQYQPOBPT-VHSUDJNHSA-N	244.075	-0.958	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H](O)[C@@H](F)C1	2247904093	OUJDQQWAMKUCBA-ABIFROTESA-N	245.059	-0.829	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2248579610	RSCMDGJOUCXZOX-KKMMWDRVSA-N	243.068	-0.439	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CN(C)C(=O)C#CB(O)O	2248643304	ZGNLNAZBWJDVQD-MWLCHTKSSA-N	239.080	-0.867	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cocc1B(O)O	2249410558	NWVJXZDGKWCXEB-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1cocc1B(O)O	2249423385	JLSQHYPECXLGEY-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ccncc1B(O)O	2255452485	JQOBNASJUSZMSI-JTQLQIEISA-N	248.091	-0.320	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2CCC1CC2	2255457447	DKAUHLLZHOJYSK-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2ccoc2B(O)O)C1	2255466125	UBBOTFAABQSTIX-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ncccc1B(O)O	2255516030	GIBUSBUZUUPSEW-SECBINFHSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(OC)cc1B(O)O	2255526325	RYHMCFJZHGWZLM-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255717228	IYZSFEDYJIQGPJ-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ccncc1B(O)O	2255728513	HFKYGDSKCSDUIV-QMMMGPOBSA-N	248.091	-0.368	50	10	BBGE	
CC(C)(C)[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369066	HWMDVMLBYSWGBT-FYBVGQRMSA-N	243.112	-0.237	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@@H](F)C1	2300042706	SLPWPWIWGIOZRI-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300370823	NHKOXMPWOVYUJL-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCn1cccnc1=O	2300382543	HJTAWZIHGGIDSB-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
CCn1nc(C)c(C)c1NC(=O)C#CB(O)O	2301922842	DHINWDYUYZUEMN-UHFFFAOYSA-N	235.052	-0.526	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	2302211363	MYEUVHQCDVCIDS-RCZSTQMZSA-N	239.319	-0.278	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)N1CC[C@H](B(O)O)C1	2303105430	PDJKFSLDSAKPOE-ONGXEEELSA-N	240.112	-0.454	50	10	BBGE	
CC[C@H](N)CCOc1cc(B(O)O)c(F)cn1	2303851775	GHFCEAZFBGVONU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
O=C(CBr)N[C@H]1CCOC1=O	34215554	ARQNMQBSMYUHQD-BYPYZUCNSA-N	222.038	-0.187	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1nncn1C	50421907	HEOPDIGSDKFRCS-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
O=C(CN1CC(O)C1)NNc1ccccn1	70840913	SROWVTGYYLLTJQ-UHFFFAOYSA-N	222.248	-0.799	50	10	BBGE	
NNC(=O)CN1C(=O)CNc2ccccc21	76889996	RRWFXNLCAFGZDW-UHFFFAOYSA-N	220.232	-0.565	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC1(C)C	82470278	BNTHVFGCSUQGMV-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](O)C1	82470427	RVCNDJMVKKWBBN-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
CC(C)[C@@H](Sc1nncn1C)C(=O)NN	82471946	JBBAGBRLCCHTCH-ZCFIWIBFSA-N	229.309	-0.078	50	10	BBGE	
CC(C)[C@@H](Sc1nnc(N)n1C)C(=O)NN	82473346	UOCSVGSEXGUUAB-RXMQYKEDSA-N	244.324	-0.496	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCCNC(=O)C1	83748184	IPNMEBKPFREKKD-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111397440	UCZNMMTYEPLWJI-KKZNHRDASA-N	241.335	-0.011	50	10	BBGE	
C[C@@H](CO)N(C)Cc1occc1C(=O)NN	125434027	LEQOWMKKYALFCW-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
C[C@]1(O)CCCN(CCCC(=O)NN)C1	157538679	OKIZQFGVKIHAMD-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
CN(C)[C@H]1CCN(Cc2ccccc2B(O)O)C1	203116890	UVDMEBQSQYTUNJ-LBPRGKRZSA-N	248.135	-0.498	50	10	BBGE	
COC[C@H](C)OCc1cccc(B(O)O)c1	203551005	HWTPSOPODBIUSI-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
COC(CNS(=O)(=O)CCCl)OC	220298377	PYYRBVVANAWBML-UHFFFAOYSA-N	231.701	-0.237	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CNC(=O)C1	229035435	BYWDDYOEERHYIQ-WDSKDSINSA-N	204.657	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383866	GPQGKITXVKVDSX-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
COC[C@H](SC[C@@H](C)N)C(=O)NN	232421686	JJGSTCXOGKFTIA-RITPCOANSA-N	207.299	-0.928	50	10	BBGE	
O=Cc1sc([N+](=O)[O-])cc1B(O)O	238618971	WUBBCIIXSGTIJT-UHFFFAOYSA-N	200.968	-0.851	50	10	BBGE	
Cn1nnc(CN[C@H]2COC[C@H]2Cl)n1	306196669	KYBIJHBRGWOZOC-RITPCOANSA-N	217.660	-0.694	50	10	BBGE	
CO[C@@H](C/C(C)=N/NC(N)=O)OC(C)=O	308671248	DHYQSTIGDHPBKN-SYNIEDPSSA-N	217.225	-0.044	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(OC)C1	309376427	QGHYFBRLZKLISM-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	379006550	GTOAVQJOVDLMDN-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
COC[C@@](C)(NC(=O)CCl)C(N)=O	379416074	QXBQRWBZNWGLTK-SSDOTTSWSA-N	208.645	-0.768	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CC(C)(C)C(=O)NN	384866143	PFYFRIVCQMKLSI-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)CC(C)(C)C1	395801478	ZVTKUGDFYADTPC-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)Cc1cc(/C=C/C(=O)O)ccc1B(O)O	396140999	YHIJTJACAIBYDV-HWKANZROSA-N	248.043	-0.404	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398851324	VGOHLHLGPSLFHI-VWYCJHECSA-N	243.351	-0.049	50	10	BBGE	
COCC[C@@]1(C(=O)NN)CCN(C)C1	399513634	HPXRNRMTBKUFBU-VIFPVBQESA-N	201.270	-0.665	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(CCO)CC1	400996205	DUEREKMHRGEDDA-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CCC[S@@](=O)Nc1cccc(B(O)O)n1	404893829	DXEACOPWUFPOLH-OAHLLOKOSA-N	228.082	-0.753	50	10	BBGE	
C[C@H]1OCC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	404964172	GHQQSHUHSBYLHT-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
COCC(=O)N(C)Cc1cc(B(O)O)cs1	405000047	KWOOHDMEXSQRJA-UHFFFAOYSA-N	243.093	-0.967	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)[C@H]1COCCO1	493363052	YMQIMALJJRJQLY-MPJRPATESA-N	244.247	-0.901	50	10	BBGE	
Cn1nnc([C@@H]2OC[C@@H](CCl)O2)n1	575519385	IWOZTKVASCWYIE-INEUFUBQSA-N	204.617	-0.137	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]1C1CC1	584996073	WTGLHMOEHGCEAH-GFCCVEGCSA-N	245.087	-0.009	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@]12COC[C@@H]1C2	689167374	XADXDVSQRNAYCX-PJKMHFRUSA-N	247.678	-0.081	50	10	BBGE	
OB(O)c1ccn(C[C@H]2Cc3ccccc3O2)n1	694272436	TVXYFERFAZHRIM-SNVBAGLBSA-N	244.059	-0.433	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2CC1(CO)C2	694583784	USWHACIACAKMNY-INWMGODYSA-N	227.308	-0.542	50	10	BBGE	
CC(C)C[C@@H](SCC(N)=O)C(=O)NN	695116922	HSIYYGPAFQIQMA-ZCFIWIBFSA-N	219.310	-0.391	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1CC12CC2	705174129	OBAMLWJFOGZKMH-JTQLQIEISA-N	245.087	-0.217	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3C[C@@H]32)c1	707085046	GTGCKGVTDOQVDZ-PWSUYJOCSA-N	217.077	-0.039	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ccnn1	710722035	ZFXORJGHIUABOQ-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COCC[C@H]1O	710949149	BHZAROOUJMCJNB-RNFRBKRXSA-N	243.712	-0.706	50	10	BBGE	
CN(C)C[C@@H](Cl)CNCc1nnnn1C	717366205	MVYMYMRSHIOPSJ-ZETCQYMHSA-N	232.719	-0.531	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCCS1	718301311	XCWVGWNKGLQCIQ-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CC1=C(CN(C)S(=O)(=O)CCl)NC#CN1	725448725	CBUIBSBMEIUVPQ-UHFFFAOYSA-N	249.723	-0.213	50	10	BBGE	
[O][S@@+](=O)(Cl)CC1=[N+]2CCOC[C@@H]2N=C1	725701434	RBCPNYKCTGITBE-SSDOTTSWSA-N	237.688	-0.121	50	10	BBGE	
Cc1cccc(C(=O)NNC(=O)c2nc[nH]n2)n1	794086470	HYNGVKDJAVAVFV-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CC(C)OC(=O)NNS(=O)(=O)c1cn[nH]c1	842589586	ODHBPIQSJLIOCG-UHFFFAOYSA-N	248.264	-0.262	50	10	BBGE	
CNc1cnc(C(=O)NNC(=O)C2CC2)cn1	858121633	JMVVRIPYISKOOL-UHFFFAOYSA-N	235.247	-0.311	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)/C=C/c1cnccn1	910171392	VRHCFXGYMMEDLF-NWALNABHSA-N	236.275	-0.166	50	10	BBGE	
O=C1NC(=O)N(CC[C@H]2CO2)C[C@@H]1Cl	953055247	IBGKUWYYNIHYQJ-WDSKDSINSA-N	218.640	-0.066	50	10	BBGE	
CCOC(=O)[C@H](CC)C(=O)NNC(=O)NC	1136378284	DWLXCNXRUBQDOM-ZCFIWIBFSA-N	231.252	-0.464	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNc1cnnn1C	1161391632	MYOFXMBTKSBPRR-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1334042157	ZWUJTSBLMZYXGR-XLPZGREQSA-N	241.052	-0.828	50	10	BBGE	
CC(C)C(=O)NNC(=O)CS(=O)(=O)C1CC1	1440593831	ILENNEMQECZTNF-UHFFFAOYSA-N	248.304	-0.633	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CCc1cnn[nH]1	1446680204	CJHYSDKZYMMQTP-UHFFFAOYSA-N	240.267	-0.570	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CCCCNC(N)=O	1557202269	KPBCAEPFKGCTEX-MRVPVSSYSA-N	246.311	-0.831	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1ccncc1	1587046463	ROJLMPWEJDUVEZ-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1cccnn1	1631347065	HBMYCTICAJDMFC-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
COC(=O)C[C@H](NC(=O)CCCl)C(=O)O	1866011629	VGTGTQIHRQGJHL-YFKPBYRVSA-N	237.639	-0.252	50	10	BBGE	
CO[C@H](CNC(=O)NN)C(F)(F)F	1883671825	ZMWVODVFSVKVBA-GSVOUGTGSA-N	201.148	-0.263	50	10	BBGE	
CS(=O)(=O)CNC(=O)N1CC(Cl)C1	1884049329	VCQNJWWGQHVWJG-UHFFFAOYSA-N	226.685	-0.379	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@@H]1NC(=O)Cl	1884250069	SFIHEWFUNMGNEF-CRCLSJGQSA-N	227.669	-0.253	50	10	BBGE	
CC(C)(CCl)C(=O)NCC(CO)CO	1885364504	KDDIMMLXSXAPPV-UHFFFAOYSA-N	223.700	-0.032	50	10	BBGE	
COC(=O)[C@@H](C)CS(=O)(=O)NCCCl	1886157132	FCKRJJHPHSWZNV-LURJTMIESA-N	243.712	-0.046	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)F)C[C@@H]2N1	1887188664	SYDAOHBVNZLQPM-WDSKDSINSA-N	202.185	-0.335	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(F)(CO)C1	1893409985	DHBGMOXBPNNDDH-UHFFFAOYSA-N	221.615	-0.149	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1[C@@H]2CNC[C@@H]12	1893504555	JKSNZGLXWNNUFR-IYTQHBPKSA-N	214.652	-0.358	50	10	BBGE	
O=C(CCl)NC(=O)N1[C@H]2COC[C@H]1C2	1895815953	INTWJNYCRSNTIV-PHDIDXHHSA-N	218.640	-0.066	50	10	BBGE	
COCCOc1ccc(C=O)c(B(O)O)c1	1901248252	DVDNUQRELQJDOS-UHFFFAOYSA-N	224.021	-0.796	50	10	BBGE	
C/C=C/C[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1901338847	DDMYNRIHYYPSGT-YZCDNWJKSA-N	249.336	-0.407	50	10	BBGE	
CCNC(=O)[C@@H](C)N1CC[C@](C)(B(O)O)C1	1902528929	KKZHHGZGNSRIQH-SCZZXKLOSA-N	228.101	-0.550	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C1(C)COC1	1902641826	PHUNNPFBRHPUMN-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)C1(B(O)O)CC1	1904695159	NUASXNPRCBUTHO-QMMMGPOBSA-N	228.101	-0.598	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(CCOC2)CC1=O	1906951723	UKQMSSFZTOLSAF-LDYMZIIASA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]2C(F)F)O1	1908715695	OYFCCDRAXRFAJD-CSMHCCOUSA-N	249.261	-0.137	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C)C1=O)C(=O)NN	1912220388	DXLDKGPMQJNOBF-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](Cl)C1(NC(=O)Cn2cnnn2)CC1	1913516025	LPDCJOBYEXKHTA-LURJTMIESA-N	229.671	-0.051	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914011590	SXGUFISUMAVXMA-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
CN(CCOC1CC1)C[C@@H]1C[C@@H]1C(=O)NN	1914550313	GQBXXVUZHSHLJZ-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)O)S(=O)(=O)N1CC=C(C#N)CC1	1917075253	YOJPEROWCNLYSD-SSDOTTSWSA-N	244.272	-0.055	50	10	BBGE	
CO[C@@H]1CNC[C@H]1C(=O)N1CC=C(C#N)CC1	1917080737	RLYFCLNXZDFYIY-GHMZBOCLSA-N	235.287	-0.097	50	10	BBGE	
O=S(=O)(NC[C@@H](Cl)CF)C1COC1	1923229806	AFQQAXMXCOMTAX-YFKPBYRVSA-N	231.676	-0.119	50	10	BBGE	
C[C@H]1C[C@@H](NNC(=O)C(F)(F)F)C(=O)O1	1923425533	YLWXXGPSIOZYMB-IUYQGCFVSA-N	226.154	-0.127	50	10	BBGE	
CC1(F)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1930280267	ZDPUIWCWOCHUGB-RNFRBKRXSA-N	201.245	-0.344	50	10	BBGE	
CN(CCOCCCl)C1CS(=O)(=O)C1	1932007402	ODZOPRHPIJOGAM-UHFFFAOYSA-N	241.740	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]1C1CCOCC1	1936638255	VINVPJKPPCNWBC-WPRPVWTQSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H]1COCCN1CC1(C(=O)NN)CC1	1938245916	BSPJFZPURHBLBJ-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CCN1C	1938247468	TZAUVJRVPODMOH-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2OCC[C@@H]2C1	1938635895	JGKMUNGGRPHNQB-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H]2COC[C@H]2Cl)n1	1939174016	WKFBDAIDTYRUEG-NTSWFWBYSA-N	245.670	-0.806	50	10	BBGE	
CC[C@H](CO)CN=c1[nH]c(CCl)nc(=N)[nH]1	1939298545	ADINEFWBSOWYHT-LURJTMIESA-N	245.714	-0.125	50	10	BBGE	
COC[C@@]1(OC)CCCN([C@H](C)C(=O)NN)C1	1946476185	XCHPYQGXRSUGDR-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)CC12CCC2	1949820900	VPIXZMZAXAQTJF-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
CNC(=O)OCCNC(=O)CBr	1953519248	WHWJVKANTFTPJI-UHFFFAOYSA-N	239.069	-0.147	50	10	BBGE	
O=C(CCl)N[C@@H]1CO[C@@H]2COC[C@H]12	1954355891	BTDLIQUMNWIIDO-FSDSQADBSA-N	205.641	-0.245	50	10	BBGE	
C[C@]1(CO)COCCN1S(=O)(=O)CCl	1956687799	CSLDJOQIOCVSGO-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@@H]21	1958452250	KELTXGGELAIKJA-OOJXKGFFSA-N	209.249	-0.767	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(CCC(=O)NN)C1	1958494963	OWHQITNNSCRRMK-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCCN1CC[C@@H](N(C)CC(=O)NN)C1	1958581174	MBDUPVNECOVLBR-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CCN(CC(=O)NN)Cc1cnn(C)c1	1961253874	ZKLAACOAJSFSAD-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
CN(C)C[C@H]1CN(C[C@@H](O)CCl)CCO1	1961283272	NZIRCSGSQASFLL-UWVGGRQHSA-N	236.743	-0.152	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1C[C@@H]1C	1961694175	KSWSDDLEJIPVAI-IMTBSYHQSA-N	207.038	-0.143	50	10	BBGE	
CN(CCF)c1ncc(Cl)cc1B(O)O	1961718045	JKGWXMDYFDITMD-UHFFFAOYSA-N	232.451	-0.180	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)cc1	1963771909	VFRCRYCQLAJROX-UHFFFAOYSA-N	231.060	-0.538	50	10	BBGE	
CN(C)NC(=O)NCc1cc(C(=O)O)n[nH]1	1975861726	BCPUHFAIXKBLMV-UHFFFAOYSA-N	227.224	-0.616	50	10	BBGE	
CN(Cc1ccon1)CC(F)(F)C(=O)NN	1976755644	LUEMNPVJBARAAY-UHFFFAOYSA-N	234.206	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)c1cnn(C)c1	1980917844	URTAHZDRWYAXMN-JGVFFNPUSA-N	225.296	-0.129	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2C[C@@H]2C1	1981409852	SEGWCXZKDYAKJQ-JGVFFNPUSA-N	219.053	-0.997	50	10	BBGE	
C[C@@H](COc1cncc(B(O)O)c1)N(C)C	1983808474	FRGHIMRNYUVJDP-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ncc(B(O)O)cn1	1984212620	UJGFVFSTCIIHIK-RXMQYKEDSA-N	231.011	-0.754	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCCn1cncn1	1986447163	ZZJJEPUXCYPJKL-QMMMGPOBSA-N	227.268	-0.547	50	10	BBGE	
CN([C@H](C(=O)NN)C(C)(C)C)C1(CO)CC1	1986546752	RKLALIDGAGUKIM-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@H]1CCN1C	1987091479	CGRZIRIQROIJFG-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
NC(=O)[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)C[C@@H]1C(N)=O	1991433392	QGVZWVRXKXMTEC-HSNKUXOKSA-N	245.710	-0.868	50	10	BBGE	
CN1CCOC[C@H]1CNC(=O)C=CC(=O)Cl	1991650046	KPAPLUYONXIPHP-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
CO[C@@]1(CO)CCN(C(=O)/C=C/C(=O)Cl)C1	1991701541	INBRNEBOOQODJG-PBKGFPTLSA-N	247.678	-0.082	50	10	BBGE	
OB(O)c1cncnc1N1[C@H]2CCC[C@H]1C2	1992321578	CQCKIHZZDJHYPV-YUMQZZPRSA-N	219.053	-0.712	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)C(=O)NN)CC12CCC2	1995104418	FYLSJKSEMDZYHK-RNFRBKRXSA-N	227.264	-0.950	50	10	BBGE	
N#CC1(O)CCN(c2ncc(N)c(=N)[nH]2)CC1	1996033422	IXGSNOIPYMEFIZ-UHFFFAOYSA-N	234.263	-0.674	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997867236	BODUGZHYUOQWDC-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CCNC(=O)C2)CC1	2001086270	SIRXWYSMMORMTK-SNVBAGLBSA-N	237.303	-0.137	50	10	BBGE	
CO[C@H]1CN[C@@H](CN2CCC(O)(C#N)CC2)C1	2002118155	FVQQJGFPHFOBRB-GHMZBOCLSA-N	239.319	-0.286	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(n2cnnc2)C1	2003860520	PTEIJOSKTIAWIH-SECBINFHSA-N	238.295	-0.707	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1ccc(B(O)O)cn1	2004951717	NXRUEYYALBEUIS-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
Cc1nc(N2C[C@H](C)C[C@@H]2C)ncc1B(O)O	2004973816	ANRWRGIJPOVEMJ-SFYZADRCSA-N	235.096	-0.300	50	10	BBGE	
Cc1cnc(Sc2ncc(B(O)O)cn2)nc1	2005004538	GZCPIKXYEDEBHJ-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CCc1nccn1-c1nccc(C)c1B(O)O	2005008099	ROBPSCIVIJEVFV-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)C[C@H]1C	2005015474	AVVJSUCPVZSMLW-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
C=C1CON(Cc2ccc(C(=O)NN)nc2)C1	2007741839	VCZZYBBPCWJREE-UHFFFAOYSA-N	234.259	-0.012	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccccc1C(=O)NN	2011373881	RBMRKTXELIDAAX-LDYMZIIASA-N	235.287	-0.145	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21	2015022104	PANAHIBJQSVEIO-JGKVKWKGSA-N	239.275	-0.999	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cccnn1	2019211047	PBPGGGKMOYGRFS-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCCC2(F)F)nc1	2020349392	WWFCDXWCZUNGCS-ZETCQYMHSA-N	244.006	-0.277	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@@H]1C(N)=O	2028922741	QWGMMVNYPNQXFZ-ZJUUUORDSA-N	248.286	-0.723	50	10	BBGE	
Cc1ncc(OCC23CC(CO2)C3)cc1B(O)O	2031602160	AFWWQYUEIWDFKB-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)Nc2ncc(B(O)O)cn2)C1	2040762292	BAMRBQZJMSJSQG-HTQZYQBOSA-N	249.079	-0.469	50	10	BBGE	
CN(Cc1ccc2nccn2c1)C(=O)C(=O)NN	2041868682	ULMRYYBJELXPHJ-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1[C@@H]2CC[C@@H]12	2041998917	ZDCZLAAKABYCDF-GHMZBOCLSA-N	245.087	-0.361	50	10	BBGE	
C[C@]12CNC[C@]1(C(=O)N1CCC(O)(C#N)CC1)C2	2046819924	OBGAAVXYNUXNAG-AAEUAGOBSA-N	249.314	-0.137	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@H]3C[C@H]32)n1	2052620559	VLECRICEWMCDQF-IQJOONFLSA-N	247.107	-0.300	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@@H]2CC[C@@H]2C1	2070104037	ZMJQEQOBQCWMEQ-MYJAWHEDSA-N	247.107	-0.219	50	10	BBGE	
CCOC1CN(Cc2nscc2B(O)O)C1	2211136547	SYRVJNYRNNSILA-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
C=CCCCN(C)c1ncc(B(O)O)cn1	2212604154	TZGJQBQGISWQBH-UHFFFAOYSA-N	221.069	-0.441	50	10	BBGE	
C[C@@H](CN)CCOc1ncccc1B(O)O	2212605247	ANZRAMOAPOTEDM-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CO1	2212612745	OBCBUZQFBYQCSJ-VXNVDRBHSA-N	223.037	-0.682	50	10	BBGE	
CN1CCC(COC[C@@H]2C[C@@H]2C(=O)NN)CC1	2214843318	NPXJOCMPEBCHLA-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COCCn1cncn1	2215777423	SMOLLTZLGKCSDB-DTWKUNHWSA-N	239.279	-0.689	50	10	BBGE	
C[C@@]1(N)CCC[C@@H]1Oc1ncccc1B(O)O	2217171895	GSNYWCFMXNJNPF-GXSJLCMTSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCOC1	2217176012	QIWKYILCGHBHTA-VIFPVBQESA-N	236.080	-0.400	50	10	BBGE	
NCCCCCCNc1ncccc1B(O)O	2217198699	FFYLZRZSXDFCCR-UHFFFAOYSA-N	237.112	-0.308	50	10	BBGE	
C[C@@H]1CN[C@H](C)CN(c2ccc(B(O)O)cn2)C1	2223639771	GRAQNMDKMLQRMK-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
Cc1cnc(N2C[C@H]3COCC[C@H]32)cc1B(O)O	2223652031	FVPJEANACXEWLR-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32	2223665607	HEBQLDUGPXHLDP-ZXPJBKCYSA-N	242.087	-0.316	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3C[C@H]2C[C@H]3O)c1	2223673824	HVWYMHANYDLYDE-SCVMZPAESA-N	248.091	-0.667	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243357140	RRAFGGIODLWZBF-ZETCQYMHSA-N	222.053	-0.824	50	10	BBGE	
CCOCCNC(=O)c1ccsc1B(O)O	2243358713	JPDCFHSZTIFKDI-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
C[C@H]1CNCCN1C(=O)C1(B(O)O)CCC1	2243365970	VOWBOOMBQXJCOW-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
Cn1cnnc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381171	CXFCJLFULZLTHU-OLQVQODUSA-N	224.029	-0.993	50	10	BBGE	
O=C(NCc1nncs1)C1CC(B(O)O)C1	2243383192	VJNAAAATDGZWNF-UHFFFAOYSA-N	241.081	-0.593	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243391395	KFVAMCNEEYEQNM-VGMNWLOBSA-N	227.069	-0.707	50	10	BBGE	
O=C(NCCOCCF)C1CC(B(O)O)C1	2243392601	VHZXMFFEVBUPQE-UHFFFAOYSA-N	233.048	-0.658	50	10	BBGE	
C[C@@H](CN(C)C)NC(=O)C1CC(B(O)O)C1	2243395902	DPXAFUSRMGBALQ-UEJVZZJDSA-N	228.101	-0.694	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2243400927	JVQKPKHQFYVZQB-LALMQGGXSA-N	219.049	-0.885	50	10	BBGE	
C[C@H](Cc1ccco1)NC(=O)C#CB(O)O	2243401199	NRRHFNTVZKYSAX-MRVPVSSYSA-N	221.021	-0.658	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1C(=O)C1(B(O)O)CC1	2243408421	MYBLSJKGCMLZSH-SFYZADRCSA-N	226.085	-0.798	50	10	BBGE	
CON(C)C(=O)c1ccc(C)c(B(O)O)c1	2243409213	CYAVHWPOLJLBEY-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
O=C(NCc1cocn1)C1CC(B(O)O)C1	2243414192	VMMXHENUCGVZCD-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
O=C(NCCc1ccco1)[C@H]1C[C@@H]1B(O)O	2243414937	LDRPRHVKBYUFAW-IUCAKERBSA-N	223.037	-0.199	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCCO)C1CC1	2243427707	ZPINHCUDHCLDPF-DTWKUNHWSA-N	227.069	-0.777	50	10	BBGE	
CSC[C@H](C)NC(=O)c1cc(B(O)O)co1	2244219665	OVKJWOJYPGHRLY-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCC[C@H]1CC2	2245181769	CTIXOQJVWWCCNO-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
OB(O)c1cc(N2CCOCC2)ncc1Cl	2245913899	ZYNLPLBXXLALQH-UHFFFAOYSA-N	242.471	-0.749	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)cc1F	2247751667	AAKZRHRDRZMWMS-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1c(F)cccc1B(O)O	2247751800	CGIZHAWSWHFVSB-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC=CC1	2247751824	CRBHAMFZVPXIQG-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@@H]1NC(=O)C1(B(O)O)CC1	2247754521	MKIXPEIWMKQNOB-YUMQZZPRSA-N	241.096	-0.341	50	10	BBGE	
CN(C)C[C@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790330	GTVBGIHPLANSJC-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
CC(C)C[C@@H](CN)NC(=O)C1CC(B(O)O)C1	2247806515	FQBGBICISNTCJZ-RTBKNWGFSA-N	242.128	-0.271	50	10	BBGE	
C[C@]12CCO[C@](CNC(=O)C#CB(O)O)(C1)C2	2247852761	ZCTIEPJNQSFLDO-PHIMTYICSA-N	237.064	-0.923	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC(C)C1	2247855072	MXMIPIWYBUACQR-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
C=C(C)CNC(=O)c1c(F)cccc1B(O)O	2247873759	GFBULBRXJAYXLD-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H](C)CF	2247874250	PDJIEPWWSMIZGS-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CO[C@@H]1CC(=O)N(C(=O)C2(B(O)O)CCC2)C1	2247879662	WWDIQNHROONESX-SSDOTTSWSA-N	241.052	-0.843	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)ccn1	2247887018	JIEVZINCVRVEIS-DTWKUNHWSA-N	231.020	-0.245	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)C1CC(B(O)O)C1	2247890627	AEXAIPKBFKDYCF-DKEVHCRPSA-N	243.112	-0.237	50	10	BBGE	
COCC[C@H](COC)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247894733	KHCPBIHWXIEGQX-HLTSFMKQSA-N	245.084	-0.983	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)N1CCC1	2247905227	SKUQCKYSGXEOQK-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248587632	RZRDMCMFVZTVCP-WCTZXXKLSA-N	241.052	-0.829	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248587845	VELBVKOVOSRRIQ-XLPZGREQSA-N	243.068	-0.391	50	10	BBGE	
CON(CC1CC1)C(=O)c1ccc(B(O)O)o1	2251013176	BRSKNRXDNYLVIY-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
CN(Cc1ccnnc1)C[C@H]1C[C@H]1C(=O)NN	2251563317	UIFZFEHNNYITEQ-NXEZZACHSA-N	235.291	-0.466	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1coc(B(O)O)c1	2255452925	NCIQEAMICZUUHF-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
C#CCCCN(C)C(=O)c1cc(B(O)O)oc1C	2255455450	ZMHLQJOGKISFSR-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@@H]1[C@H]2CCC[C@H]21	2255467224	JWNNSFMILVHDAW-VROVMSAKSA-N	249.075	-0.170	50	10	BBGE	
O=C(NCCn1cccc1)c1ccc(B(O)O)o1	2255467384	MMCKGDWVLOXJMN-UHFFFAOYSA-N	248.047	-0.809	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2nc[nH]n2)c1	2255512626	CNFVQFJRGWETOE-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1cc(C(=O)N[C@]23CCC[C@H]2C3)oc1B(O)O	2255565729	LBOSCGXQNATCAE-UFBFGSQYSA-N	249.075	-0.060	50	10	BBGE	
CCN(C[C@H](C)C#N)C(=O)c1cc(B(O)O)c[nH]1	2255671938	YRCMNDPDRAIWNP-MRVPVSSYSA-N	249.079	-0.684	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@H]2C[C@H]2C1	2255692756	WLZUCXFLUYDCPV-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ncccc1B(O)O	2255713686	FZPZMTZTJNSJNZ-GFCCVEGCSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cncc(B(O)O)c1	2255716665	SRNNAOHKLUOPDB-PPKCKEKNSA-N	246.075	-0.710	50	10	BBGE	
O=C(NCC1=CCCC1)c1cncc(B(O)O)c1	2255717602	LFGJXXJGIYQKCY-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
O=C(N[C@H]1C=CCCCC1)c1c[nH]nc1B(O)O	2255788270	MPKICWMNHGNDHZ-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1nccnc1B(O)O	2256050592	CFWAIMYQJSVELI-OCAPTIKFSA-N	249.079	-0.831	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1CC[C@@H]2C[C@H]21	2258130122	BOOXCBAMVTZSRX-SZEHBUNVSA-N	249.075	-0.170	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)ccc2B(O)O)CC1	2258949686	OHEZTCKFUAZLPP-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(O)c(O)c1	2258957243	MIVIKIYMUOHDNO-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2OCC[C@H]12	2298224940	JQTHZQGTPJACGR-JEZHCXPESA-N	234.064	-0.649	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCOC[C@@H]21)C1(B(O)O)CC1	2298367986	GTLYZNPJOGMHEN-CIUDSAMLSA-N	239.080	-0.608	50	10	BBGE	
COC(OC)[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369038	GSNJMPLFFDRLPI-PRJMDXOYSA-N	245.084	-0.685	50	10	BBGE	
CCC[C@@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCNC1	2298371192	CCMHXDHWNLFQSU-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2298377199	IDNYIBLAYXQGCL-ZOZBQHSOSA-N	240.112	-0.553	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1CC(F)(F)C(=O)NN	2299330413	BZRMKVCESBOHCR-HTQZYQBOSA-N	249.261	-0.377	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@@H]1N	2301365437	RFMXYUBDNUTWSC-GXSJLCMTSA-N	232.048	-0.893	50	10	BBGE	
Cn1cc(NC(=O)N2CC[C@@H](B(O)O)C2)cn1	2303164796	ZISRWGTUDJKSIL-SSDOTTSWSA-N	238.056	-0.499	50	10	BBGE	
CC[C@H](COc1cc(B(O)O)c(F)cn1)NC	2303855764	PIVFXRQWQVILBN-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
C=C(CCN)COc1ccc(C=O)c(B(O)O)c1	2317310005	XXGSTZRGAPJNAU-UHFFFAOYSA-N	249.075	-0.537	50	10	BBGE	
N#CC(=CNCCO)C(=O)NC[C@H]1CCCO1	2324797567	KDZYFIMYCXEMEC-SNVBAGLBSA-N	239.275	-0.729	50	10	BBGE	
CNC(=O)CN1CCN(C(=O)CCCl)CC1	37828835	YAXLHYOJVYWKSA-UHFFFAOYSA-N	247.726	-0.495	50	10	BBGE	
NC(=O)N/N=C/c1ncnc2[nH]cnc12	71255284	LDEPDGIKDRBFEV-HSIUAXRUSA-N	205.181	-0.645	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(O)CC1	82465927	BGZOIALQUPEPSF-MRVPVSSYSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]2CCC[C@H]21	82469826	FUSCNCXPGRPMFO-BDAKNGLRSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nccc(=O)[nH]1	82472234	ORCYBWDRUOTOOV-RXMQYKEDSA-N	228.277	-0.370	50	10	BBGE	
CCN(Cc1cccc(C)n1)C(=O)C(=O)NN	94923337	QURRRBAVAOGHLP-UHFFFAOYSA-N	236.275	-0.272	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	127929035	GYZXPHWYTRNZPX-YIZRAAEISA-N	214.313	-0.611	50	10	BBGE	
CNP(=O)(NC)N1CCC[C@@H](N)C1=O	148905786	MEKDLIRTYTXNKO-ZCFIWIBFSA-N	220.213	-0.517	50	10	BBGE	
NNC(=O)CCCCCN1CCOC[C@@H]1CO	159542191	DOIBMVIJQPPLEX-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
O=C1CC[C@H]2CN(C[C@H](O)CCl)CCN12	163206363	LUIYOILTHWJTQO-DTWKUNHWSA-N	232.711	-0.107	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)CC(F)(F)F	231593862	LNENBHVKYLCALZ-LURJTMIESA-N	243.229	-0.389	50	10	BBGE	
CCN1Cc2ccc(B(O)O)cc2C1=O	238273419	QNFMMRHRNNHNEJ-UHFFFAOYSA-N	205.022	-0.658	50	10	BBGE	
CCN1Cc2cccc(B(O)O)c2C1=O	238273526	ZPJPBHJMTGDRGL-UHFFFAOYSA-N	205.022	-0.658	50	10	BBGE	
CCOC(=O)c1nccc(C)c1B(O)O	238283722	MPIQAPPCDHHSRV-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
CN(C)NC(=O)[C@H](N)C1CCOCC1	258973374	DJAHRBNGJFAEML-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
O=C1N[C@H](C(=O)NNC(=O)C2CCC2)CS1	266802643	DGMJRHHUTJUALX-LURJTMIESA-N	243.288	-0.241	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)C[C@H]1O	299913150	OYFJKZJYYFEXDP-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C=C(CCl)CN1CC[C@@](O)(C(N)=O)C1	308523523	ZKYPFPNXTMOKLR-VIFPVBQESA-N	218.684	-0.297	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](C)COC	309075336	JOOCXUZUEMDZDP-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
COC(=O)N/C=C(/C)C=NNC(N)=O	379340296	MPFSDXDGFDYBFP-ADWITMAXSA-N	200.198	-0.100	50	10	BBGE	
C[C@H](CO)[C@H](C)N=c1[nH]c(CCl)nc(=N)[nH]1	381063058	LVNONOHPEWSZRU-RITPCOANSA-N	245.714	-0.126	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCN(C)C[C@H]2C1	381687195	YXQLHSFRHJIFSZ-BBBLOLIVSA-N	226.324	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CC[C@H]1C2	381786193	MILUEDHPQGYKES-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCCCO	384812469	DJFWIXMWKVCESC-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@H]3C[C@H]2CO3)n1	387584521	DGCRXIBSDLUFBV-VHSXEESVSA-N	248.286	-0.342	50	10	BBGE	
C[C@@H](CCl)CN1CC[C@@](O)(C(N)=O)C1	389212142	IWXNONHSANCWLX-CBAPKCEASA-N	220.700	-0.217	50	10	BBGE	
O=C(NNC(=O)C1CNC1)c1ccco1	393815333	WLBFGSBEJUONTF-UHFFFAOYSA-N	209.205	-0.740	50	10	BBGE	
CCC(=O)c1c(OC)cccc1B(O)O	396036124	YQICHOYMUXGZGC-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584939962	PFPRAOICYGRIRN-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C)[C@H](CO)C1	687596481	BSNYMDNZWYULJJ-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
COC[C@H](CCl)NCc1nnnn1C	697788495	QCNQNTSMIKXNAS-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
CN1CCN(C(=O)CCl)[C@H](CO)C1	699486200	IMHGBMLMNQUMJU-ZETCQYMHSA-N	206.673	-0.640	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@@H]1CO	700396821	DWDTZKKPMZJVHX-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
Cc1nn(C)c(C)c1CCC(=O)NNC(N)=O	700870570	DRNXXTZOUMYWSC-UHFFFAOYSA-N	239.279	-0.331	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@@H]1C	706207903	URLHXTMAVIKEJN-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H](CO)CC(F)F	717787767	VMGPVNCQBJSXAJ-RRKCRQDMSA-N	249.213	-0.081	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718158621	DZUDKVWCMUMASK-KXUCPTDWSA-N	227.308	-0.421	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)Cn1ccnc1	746234358	DKEGATWPZHACTG-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@@H](O)C1CC1	830920553	XNXWNLVZUNFRCL-JTQLQIEISA-N	249.270	-0.078	50	10	BBGE	
C[C@H]1OCCC1=NNC(=O)c1cn(C)nn1	853386204	XZXCAIYAIRJFGE-ZCFIWIBFSA-N	223.236	-0.290	50	10	BBGE	
C=CCONC(=O)NNC(=O)COCC	1228428146	CZWVOZSLNQGXET-UHFFFAOYSA-N	217.225	-0.529	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNc2nc[nH]n2)CO1	1472574439	VOYVWLZNBSMEAH-RITPCOANSA-N	211.225	-0.327	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)c1ncccn1	1639386045	ASXLEMSJSSYMPX-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)CBr)C(=O)O	1866000455	OKWJGDZHIIZLGX-WUJLRWPWSA-N	240.053	-0.669	50	10	BBGE	
CN(N)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	1879961030	AMTHXDAQICPPBA-ZCFIWIBFSA-N	233.268	-0.796	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H]2Br)COC1	1883530493	BZDIOUQSHCVVMJ-WDSKDSINSA-N	249.108	-0.386	50	10	BBGE	
NC(=O)NC(=O)CNC[C@H]1C[C@@H]1Cl	1883550494	FNHQPWAGPFWNTM-UHNVWZDZSA-N	205.645	-0.602	50	10	BBGE	
CO[C@@H](C)COCC(F)(F)C(=O)NN	1886076697	LTMJJVUVIUQWDT-YFKPBYRVSA-N	212.196	-0.337	50	10	BBGE	
N=C(N)[C@@H]1CN(C(=O)F)[C@H]2CCN1C2	1891752004	BQOHQBZFDGWVJU-WDSKDSINSA-N	200.217	-0.230	50	10	BBGE	
C[C@H](N)CSC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896929064	MQWHWGBMHWTAOF-CIUDSAMLSA-N	247.364	-0.006	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC(CO)C1	1900505083	CGROYOOGKVQMGT-ZJUUUORDSA-N	227.308	-0.683	50	10	BBGE	
CC[C@H](N)CC(=O)NN(C)S(=O)(=O)C1CC1	1901349299	XMGAZAGITAQNEO-ZETCQYMHSA-N	249.336	-0.431	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCOCCO1	1901761186	BUZLCGTVHSFWAM-VIFPVBQESA-N	231.296	-0.201	50	10	BBGE	
CC(C)(C#N)OCCN1CC[C@@H](B(O)O)C1	1902516541	CNENMPOBMDQUPG-SECBINFHSA-N	226.085	-0.146	50	10	BBGE	
C[C@H]1C[C@H]1COc1cc(B(O)O)c(F)cn1	1903028422	YEGYHUVVSDLMPP-BQBZGAKWSA-N	225.028	-0.065	50	10	BBGE	
COCC12CC(NC(=O)NN)(CO1)C2	1905553688	WEEHXQSLWGEFNI-UHFFFAOYSA-N	201.226	-0.893	50	10	BBGE	
Cc1cnc(=O)n(C[C@H](C)C(=O)NN)c1	1912214977	BPQYXHXYMQSYHF-ZETCQYMHSA-N	210.237	-0.822	50	10	BBGE	
CC1CC(=O)N(C[C@@H](C)C(=O)NN)C(=O)C1	1912237019	NOJOPCFXACDRMA-SSDOTTSWSA-N	227.264	-0.603	50	10	BBGE	
CCCN(C[C@@H](C)C(=O)NN)S(C)(=O)=O	1913817178	MIQCQVLCDIRQMM-SSDOTTSWSA-N	237.325	-0.716	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN=S1(=O)CCC1	1913869877	LBKCDEOCEIHBCC-RNFRBKRXSA-N	217.294	-0.516	50	10	BBGE	
OB(O)c1cccc(OCCN2CC3(CC3)C2)c1	1914547883	KPLFUTOLOGCDDT-UHFFFAOYSA-N	247.103	-0.159	50	10	BBGE	
COC[C@H](S[C@@H](CO)C(C)C)C(=O)NN	1928317759	UPIZSSNEMWVZII-YUMQZZPRSA-N	236.337	-0.259	50	10	BBGE	
NNC(=O)c1ncc(CN2CCCO2)s1	1928676665	MABJCTCAXAQUSH-UHFFFAOYSA-N	228.277	-0.116	50	10	BBGE	
NNC(=O)CCN1CC2CC1(CF)C2	1929075324	AUMWIFKTZBRFRO-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
C[C@H]1CCS[C@@H]1CNC(=O)C(=O)NN	1930911095	OEEMAQIZBUHVPN-NTSWFWBYSA-N	217.294	-0.766	50	10	BBGE	
O=C1CN(C[C@@H]2CC=CCO2)CC(=O)O1	1931602228	VTLMYVMZNOLACS-QMMMGPOBSA-N	211.217	-0.283	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]21	1933288995	CAUOHCTVBHDVMV-LPEHRKFASA-N	234.727	-0.399	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1937055890	YVRNUJZTSOEBLV-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	1941094885	PMEAVYSYHSTYCZ-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1C	1941095699	ZYHKAPYSOFFFNE-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CC(C)CNC(=O)Nc1ccnc(B(O)O)c1	1946710071	WFNQEDGJPOEQEC-UHFFFAOYSA-N	237.068	-0.461	50	10	BBGE	
C[C@H](CN1CCOC[C@H](C2CC2)C1)C(=O)NN	1947399883	RWNWZEIWQHNARZ-MWLCHTKSSA-N	241.335	-0.029	50	10	BBGE	
Cc1c(CN(C)C[C@@H](C)C(=O)NN)cnn1C	1947411667	RWWOAYXDOLEWKM-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cn(CC2CC2)nn1	1953022077	RVTMYAXNEYINFL-BDAKNGLRSA-N	207.237	-0.428	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cc2ncccn2n1	1953040246	IKWGKAKJBOTJLH-APPZFPTMSA-N	203.205	-0.386	50	10	BBGE	
C[C@@H]1CN(C[C@H](O)CCl)C[C@H](CO)O1	1956256081	IPOFUFBOVXTPOK-IWSPIJDZSA-N	223.700	-0.332	50	10	BBGE	
CN(CC1CC1)c1nc(B(O)O)cs1	1956966137	QFJQQPLBZWWBPK-UHFFFAOYSA-N	212.083	-0.331	50	10	BBGE	
C[C@]1(CO)CNCCN1C[C@H](Cl)C#N	1957254132	SOFSBQLKJKPZCA-RKDXNWHRSA-N	217.700	-0.226	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CN(C)C[C@@H]1O	1957319031	RJEYWWPJXCOFMO-FXQIFTODSA-N	220.700	-0.205	50	10	BBGE	
OCCN1CCCN(C[C@@H](O)CCl)CC1	1960160158	USEURAJAERCAAL-JTQLQIEISA-N	236.743	-0.414	50	10	BBGE	
COC1(CF)CN(C[C@H](C)C(=O)NN)C1	1961043276	PCGFUEWGKRFGOL-ZETCQYMHSA-N	219.260	-0.717	50	10	BBGE	
Cc1cnc(OCC2CC2)c(B(O)O)c1	1961695953	LKBAWDPCQQCQLN-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](N=c2cccn[nH]2)C1	1974994506	BDZVNRMKQVSBHR-RNFRBKRXSA-N	247.707	-0.285	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C(F)(F)C1	1975915690	LBBAFHJDAKYXGU-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
CN(Cc1cocn1)C[C@H]1C[C@H]1C(=O)NN	1976732271	VBJJQBJPURQOGP-VXNVDRBHSA-N	224.264	-0.268	50	10	BBGE	
C[C@@H](CO)SCc1nn(C)cc1C(=O)NN	1980594603	ULWKIPLXEUJMRA-LURJTMIESA-N	244.320	-0.362	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1[C@H](C)CCC(=O)NN	1981192695	UFOKPRUIVKQSOS-GLSBUQGYSA-N	247.364	-0.402	50	10	BBGE	
Cc1ccnc(N2C[C@H](C)[C@H]2C)c1B(O)O	1981415463	FBVMJIWITYQZMY-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H]2C)ncc1B(O)O	1981446344	XGYDAYCYYNQSDZ-POYBYMJQSA-N	221.069	-0.691	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(CCN(C)C)C1	1983326822	FOEKLGHTTLGBBF-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2NC(=O)O[C@H]2C1	1983454238	ZLGCPWZHPJPBRL-WHFBIAKZSA-N	247.638	-0.746	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	1985953218	WVSHFEJVWOMZRF-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C(C)(C)C	1986722439	HOYGVIHHXCTVBR-VGMNWLOBSA-N	229.324	-0.154	50	10	BBGE	
CN1C(=O)CO[C@@H]2CCN(C(=O)CCl)C[C@@H]21	1986843700	BKOWBQXRZLJQBY-JGVFFNPUSA-N	246.694	-0.317	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987556410	JRPDZBRNXAJRIE-KATARQTJSA-N	226.324	-0.611	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnco1	1990775024	QJPNSTYFAMHPDP-UHFFFAOYSA-N	226.236	-0.726	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1CC(Cl)C1	1991696089	FNNWGTGCQPTCBK-JMMWHDCWSA-N	249.459	-0.954	50	10	BBGE	
NCCO[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991714956	NNXBFPGIRZEFLM-CMLYIYFCSA-N	246.694	-0.116	50	10	BBGE	
C[C@H](O[C@@H]1C2CCN(CC2)[C@H]1C)C(=O)NN	1992113535	LKEWAJZFXZTVMD-NRPADANISA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@@H]32)CC1	1992329175	RTLAJHLLUSDOQF-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CCCCC(=O)NN)C2	1997867609	GKGDZZQCYQZBJX-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@H]2C[C@H]2C(=O)NN)C1	2001533689	BEZHTYXQRTUVEF-ZRUFSTJUSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C2(CCCC2)C1)C(=O)NN	2006026191	XNMWMRULLXCEND-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	2008046512	MPMYISRFPFMXOE-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cc(B(O)O)ccc2=O)C1	2008841359	ZIPKQINDYXNWFS-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
Cn1cc(C(=O)NN)c(CO[C@@H]2CC2(F)F)n1	2011546557	JPRHSVSUIJXOQE-SSDOTTSWSA-N	246.217	-0.052	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H](O)C[C@H]2C1	2012905061	YJJLXIATLWGDKF-NZHYYXIDSA-N	239.319	-0.685	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3[C@@H]2[C@H]2CC[C@H]3O2)CC(=O)O1	2015012124	QOTQJKVASABCTP-QFQOQTIOSA-N	237.255	-0.062	50	10	BBGE	
C=C(C)CONC(=O)c1ccccc1B(O)O	2022199924	LRHXXZGIBIGZQH-UHFFFAOYSA-N	235.048	-0.396	50	10	BBGE	
Cn1cnc2c1CN(CC1(C(=O)NN)CC1)CC2	2051112837	MVOPFXRHEMNKAU-UHFFFAOYSA-N	249.318	-0.452	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1[C@H]2CCCC[C@H]12	2058156255	RWHDQTJFUGEPIK-UWVGGRQHSA-N	247.103	-0.036	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071239956	FFSVBDKNBQQKHE-LIJGXYGRSA-N	245.087	-0.570	50	10	BBGE	
O=C(CN1CC2(COC2)C1)NNc1ccccn1	2075110492	KAAIFEBOLSUSMR-UHFFFAOYSA-N	248.286	-0.143	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)C[C@@H](CO)C1	2209869184	ZNHRWYBBDNBPSJ-OCAPTIKFSA-N	221.684	-0.326	50	10	BBGE	
Cn1nnnc1N1C[C@@H]2COC[C@@]2(CCl)C1	2210673950	KZAXVRLDRMNTRV-VXNVDRBHSA-N	243.698	-0.098	50	10	BBGE	
CCN(CCF)c1cc(B(O)O)c(C)cn1	2212604923	UTFXTYLNFONACH-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
C[C@H]1C[C@@H]1CCN=c1ccc(B(O)O)c[nH]1	2212605397	CVQAEKCDHDAYDQ-IUCAKERBSA-N	220.081	-0.359	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2(CCOC2)C1	2215774085	CRGRBODMFWXDIG-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
N#C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)CCO1	2215775045	FWJZPMVFUWJJDO-BBBLOLIVSA-N	238.291	-0.773	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H]3[C@@H]2CO)CCC1	2216527751	HCAOQTFTPJPUPY-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](C(N)=O)N(C)CC1(C(=O)NN)CCCC1	2216870470	JMMSXTMHXIHOJU-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
Cc1nn(C)cc1Oc1ncccc1B(O)O	2217179918	DEHMNGCBIUINEN-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
Cc1cnc(N2CC[C@H]2[C@@H](C)O)cc1B(O)O	2217184632	QOWOHRHOHWTHJW-SCZZXKLOSA-N	236.080	-0.971	50	10	BBGE	
N[C@H](COc1ccc(B(O)O)cn1)C1CCC1	2217185288	UXQQHAYVYCNMPS-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H](O)C(F)F)c1	2217196688	HUTXFQIKIULFSP-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNc1ccc(B(O)O)cn1	2217201651	FDARSVAJVHIWJM-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncccc2B(O)O)CCO1	2217203833	AXPLYTDFTFGQHO-BDAKNGLRSA-N	236.080	-0.259	50	10	BBGE	
Cc1c[nH]nc1CNc1ccc(B(O)O)cn1	2217204925	QUMAMMSGQDMYET-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCN2C2CC2)c1	2223632137	GDKSZVORRKYTPN-NSHDSACASA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@H]3CN[C@@H](C3)C2)nc1	2223640702	MPFHGLICBDJFME-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1B(O)O	2223649637	ZYKJUTACBONAFJ-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3C[C@H]2CN3)c1	2223652647	FUKDDMSQRVBWAN-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2C[C@@H]2C)n1	2243085165	GNSXBZSRLULCFK-POYBYMJQSA-N	223.037	-0.443	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1coc(B(O)O)c1	2243348441	XPQCMQIJPRHIPG-YFKPBYRVSA-N	230.963	-0.903	50	10	BBGE	
CS[C@@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2243349913	SJWMEQHJMCRQRY-RKDXNWHRSA-N	241.121	-0.208	50	10	BBGE	
CN(C[C@H]1CCCSC1)C(=O)C#CB(O)O	2243350329	ZJVKSSMIWCLOKR-SECBINFHSA-N	241.121	-0.397	50	10	BBGE	
CC[C@@]1(C)COCCN1C(=O)C#CB(O)O	2243356038	AKWORDVQEQWFIC-JTQLQIEISA-N	225.053	-0.971	50	10	BBGE	
Cc1csc(C(=O)N[C@H](C)CF)c1B(O)O	2243378487	ULPOJXHWSVHBSG-ZCFIWIBFSA-N	245.084	-0.176	50	10	BBGE	
C#CCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382055	KYFBRAQSHGTGRU-AOOOYVTPSA-N	221.065	-0.279	50	10	BBGE	
Cc1cc(C)c(CNC(=O)C#CB(O)O)s1	2243398000	AKGVQGPWHJPWFS-UHFFFAOYSA-N	237.089	-0.003	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1coc(B(O)O)c1	2243399138	XGOVSRPSHLPSLB-RNFRBKRXSA-N	221.021	-0.902	50	10	BBGE	
CCONC(=O)c1sc(C)c(C)c1B(O)O	2243404005	HMLVIZCUQQVXAM-UHFFFAOYSA-N	243.093	-0.274	50	10	BBGE	
CN1CCC[C@H]1CNC(=O)C1(B(O)O)CC1	2243409264	DZMLLSZFZMNNBD-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)C1(B(O)O)CC1	2243411738	ZFAHTMVHLQTQOB-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
CC(C)(C)CNC(=O)c1csnc1B(O)O	2243412227	ISJVCDYNYDCJKS-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
NC[C@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2243414393	ZWTFAYPBRZEDIO-MDVIFZSFSA-N	226.085	-0.907	50	10	BBGE	
CC(C)OCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415026	MQJJJPPDZSROHO-DTORHVGOSA-N	229.085	-0.219	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1sncc1B(O)O	2243415261	QYKLLHZETMBBRX-FSPLSTOPSA-N	240.093	-0.697	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243427459	VWQKORAACTUCRB-HRDYMLBCSA-N	229.085	-0.410	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@]1(C)CC)B(O)O	2243433255	KCDUJXGFRYWJLD-SECBINFHSA-N	247.125	-0.241	50	10	BBGE	
C=CC(=O)N1Cc2cccc(B(O)O)c2C1	2243674966	PZVUXURRAYHUPK-UHFFFAOYSA-N	217.033	-0.605	50	10	BBGE	
Cc1ccnc(N(C)[C@H](C)CF)c1B(O)O	2244148579	SNLOHZMAYHLIDO-MRVPVSSYSA-N	226.060	-0.136	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2COC[C@H]1C2	2244501646	IIFCYAMAODQHEV-KDXUFGMBSA-N	225.053	-0.903	50	10	BBGE	
NC(CO)(CO)c1cn(C[C@@H]2C[C@@H]2Cl)nn1	2245491202	XJQAPNAHJUIYQQ-BQBZGAKWSA-N	246.698	-0.956	50	10	BBGE	
N[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913017	KSLDFHJXCNKJLI-HTQZYQBOSA-N	241.487	-0.684	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H](F)[C@H](F)C1	2247721717	GZDXFESFCKISET-RNFRBKRXSA-N	244.990	-0.909	50	10	BBGE	
CN(C[C@@H]1OCC[C@H]1F)C(=O)C1(B(O)O)CC1	2247751364	WTTYQIBVHVYPBA-SFYZADRCSA-N	245.059	-0.421	50	10	BBGE	
O=C(NCc1ccco1)c1occc1B(O)O	2247753522	AEKSMBWNAYPGMU-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CN(Cc1cnco1)C(=O)C1CC(B(O)O)C1	2247798283	SAOJDCMMADTWLB-UHFFFAOYSA-N	238.052	-0.114	50	10	BBGE	
CCCCCCNC(=O)c1c[nH]nc1B(O)O	2247801193	YDHCOPZRNJFJKK-UHFFFAOYSA-N	239.084	-0.600	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247810058	UHSNUSPMFRKQMD-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@@H](CCNC(=O)C#CB(O)O)CO1	2247850673	RLNSQERSEBHWJX-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
CCCCCNC(=O)c1ncncc1B(O)O	2247874357	LIFFNHKPRQAHHM-UHFFFAOYSA-N	237.068	-0.924	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887422	OCFFCWLUAIMIQC-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)[C@H]1C[C@H]1B(O)O	2247888241	XLJJBYQHUFJJNT-WNPHYYBUSA-N	239.080	-0.874	50	10	BBGE	
Cc1nnc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)o1	2247894109	CIVYIUXKVDVGGW-KNVOCYPGSA-N	239.040	-0.753	50	10	BBGE	
CC1(C)OC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247894484	HCUKKQSTBUURBJ-RNJXMRFFSA-N	243.068	-0.883	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC([C@H](F)CO)C1	2247896314	YHABNFLYZBKECY-FTLITQJKSA-N	245.059	-0.972	50	10	BBGE	
CC[C@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247899097	KKIZUBNACROJSD-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899572	OHYQUNJHTGNFSG-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248574986	XFTIOHXHZLHUMA-FKSUSPILSA-N	243.068	-0.535	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@H]1C[C@H]1B(O)O	2248576960	KMQFKCKBMYXUIW-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CCC1)C(=O)O	2248585148	GYMWPUJLMZSHDK-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
CCN(CCCC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248590829	IPYGBKBDQOHXQJ-HTQZYQBOSA-N	243.068	-0.437	50	10	BBGE	
O=C(NC1CCCNCCC1)[C@@H]1C[C@H]1B(O)O	2248633247	WRCSQNFOISURRJ-NXEZZACHSA-N	240.112	-0.502	50	10	BBGE	
COCCCNC(=O)N1CCC(B(O)O)CC1	2249343518	QGPXLGBBTRAODO-UHFFFAOYSA-N	244.100	-0.329	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1cocc1B(O)O	2249415802	JBEIMDROJGAJPT-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1cocc1B(O)O	2249416380	QTDPRYVYSKCUEG-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C[C@@H](CNC(=O)c1cc(B(O)O)co1)C(F)F	2249416762	WTXXVQBMKYECSM-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)co1	2249418467	UOPCOKQCQWJJKS-MBTKJCJQSA-N	235.048	-0.512	50	10	BBGE	
O=C(Nc1ncccn1)c1cocc1B(O)O	2249425934	MDBAYTBAAJXMIL-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1c1ccc(B(O)O)cn1	2251008450	FRXYHCQVVAPWFK-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](Cn3cncn3)(C1)OC2	2251809263	CFDGXOOETRGPNY-UWVGGRQHSA-N	237.263	-0.793	50	10	BBGE	
O=C(NCCc1cnccn1)C1(B(O)O)CCC1	2255452140	DQODSDIASBFGSF-UHFFFAOYSA-N	249.079	-0.468	50	10	BBGE	
Nc1ncccc1NC(=O)c1coc(B(O)O)c1	2255456234	LLKFDOHGTKADPR-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
CC(C)=CCCNC(=O)c1ncncc1B(O)O	2255519830	BXOHMCACARASPY-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255714455	QGJGQQXGDLZBTB-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1c(C)cccc1B(O)O	2255730435	MCDZCQJZRBRPBA-ZJUUUORDSA-N	249.075	-0.808	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1C[C@H]2C[C@H]2C1	2255914473	MQLDJGXJLMCJEY-OCAPTIKFSA-N	247.059	-0.836	50	10	BBGE	
CC[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368927	CCOXAUSHGNCLIH-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
C#CCCCOCCn1cc(C(=O)NN)nn1	2300780050	QHLFCCQLQXOABF-UHFFFAOYSA-N	237.263	-0.688	50	10	BBGE	
Cc1nc(OC2[C@H](C)C[C@H]2C)ncc1B(O)O	2301181106	XPMHPQGOKHQTQY-RNFRBKRXSA-N	236.080	-0.112	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C2[C@H]3COC[C@H]23)C1	2303107913	CGZCORHKTFUHMP-LAEOZQHASA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1cocc1B(O)O	2313083365	KKXOCRRUYSRXJU-RNSXUZJQSA-N	247.059	-0.346	50	10	BBGE	
COC1(C)CN(c2ccc(B(O)O)cc2C#N)C1	2317150781	JLPCEVOPEVMQRC-UHFFFAOYSA-N	246.075	-0.537	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2(COC2)C1	2317167305	GDSASGYYQGHHAH-UHFFFAOYSA-N	244.059	-0.925	50	10	BBGE	
CN1CC(CNc2ccc(C=O)c(B(O)O)c2)C1	2317348960	VASXQBNTSTXRID-UHFFFAOYSA-N	248.091	-0.848	50	10	BBGE	
NNC(=O)c1nncn1-c1ccccc1	75848666	QEFAPBSROZKXNS-UHFFFAOYSA-N	203.205	-0.129	50	10	BBGE	
CCN(C[C@H]1CCCO1)[C@@H](C)C(=O)NN	82469633	NXWBLTFIKCULRX-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(C)(Cn1ccnc1C#N)C(=O)NN	87344574	LUAAFLFTXKWSGZ-UHFFFAOYSA-N	207.237	-0.229	50	10	BBGE	
N#CCN(CC#N)Cc1cc(C(=O)NN)no1	110570250	JEKSTIRFBDJUEP-UHFFFAOYSA-N	234.219	-0.873	50	10	BBGE	
NC(=O)NCCNC(=O)CBr	132276295	DJQSRCVKCBGEBH-UHFFFAOYSA-N	224.058	-0.834	50	10	BBGE	
C[C@H]1COCCN1Cc1ccc(B(O)O)cc1	199009637	ARUGSGOOCLOHTB-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
CCOCc1nnc(-c2ccc(B(O)O)cc2)o1	202682062	KJKJTJXHFDTICQ-UHFFFAOYSA-N	248.047	-0.047	50	10	BBGE	
CCc1nn(C)cc1C(=O)NNC(N)=S	227562435	KZAPLVOZUYYOHY-UHFFFAOYSA-N	227.293	-0.540	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247429	DDGMDSZJYRHKQF-VHSXEESVSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)S[C@@H](C)C1	232420299	ZPBNFDNOYOLBBH-XHNCKOQMSA-N	247.364	-0.183	50	10	BBGE	
COC[C@@H]1CCN([C@H](C)[C@H](C)C(=O)NN)C1	252602068	MUZCTQWQQGUZBU-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
CN1CC[C@@H](C[C@H](N)C(=O)NN(C)C)C1	259072708	NLOGBPITOPAWJE-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCNCC1	302434504	VUMZUYGROHTCBF-UHFFFAOYSA-N	235.291	-0.910	50	10	BBGE	
OCCO[C@H]1CNC[C@@H]1Br	306902162	PQQWWIJYBOIJHY-WDSKDSINSA-N	210.071	-0.269	50	10	BBGE	
COC[C@@H]1CCCCN1CC(=O)NN	307765184	PHUFDWNIDAWCDD-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COC(=O)[C@H](N)COC(=O)C(Cl)Cl	308132149	KEIAXJLVFDGPIY-GSVOUGTGSA-N	230.047	-0.166	50	10	BBGE	
CC[C@H](OC(COC)COC)C(=O)NN	308776945	HSQOSAIXUCGHEV-QMMMGPOBSA-N	220.269	-0.567	50	10	BBGE	
Nc1nc(CCCl)nc(NC(CO)CO)n1	309332677	UHCWIBGWIGNIQA-UHFFFAOYSA-N	247.686	-1.000	50	10	BBGE	
NC(=O)CC1CN(C(=O)CCCl)C1	382265094	ICKZLCQPTMXIBX-UHFFFAOYSA-N	204.657	-0.051	50	10	BBGE	
CNCCSCc1cc(C(=O)NN)no1	382645611	JZVSPODCLMJVQK-UHFFFAOYSA-N	230.293	-0.269	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CCCCC(=O)NN	385000679	JLGIOPCCVKUESL-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
Cn1[nH]cc(C(N)=O)c1=NC(=O)CCl	388351186	OLXFQASKIGDYFH-UHFFFAOYSA-N	216.628	-0.882	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)no2)C[C@@H]1O	388881437	QWZGZGNRDFLMPD-RCOVLWMOSA-N	240.263	-0.909	50	10	BBGE	
CN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NN	394365993	OHYVDSJXRYDXCO-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](N)C1	395590683	JZDOCDLAIFFWAQ-YUMQZZPRSA-N	214.313	-0.576	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(O)ccc1B(O)O	396022966	NYDSZGRAMFEEPB-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
CCOC(=O)CCc1c(C#N)cccc1B(O)O	396117853	YXOVWRPYULECFG-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1/C=C\C(=O)O	396128627	AQJFSXDPEATBTN-XQRVVYSFSA-N	245.043	-0.080	50	10	BBGE	
CC(=O)Cc1cccc(CC#N)c1B(O)O	396134259	AKCQCCSBJNHPQD-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Nc1csc2c(B(O)O)c(C=O)ccc12	396247658	DVGSTXZUSMIIMW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccns1	404490192	HRPRULTWWCFRDO-MRVPVSSYSA-N	244.320	-0.420	50	10	BBGE	
CCC[S@](=O)Nc1ccc(B(O)O)c(F)c1	404913015	CWUDISMVHGJNJA-INIZCTEOSA-N	245.084	-0.009	50	10	BBGE	
CCC(=O)N(C)Cc1csc(B(O)O)c1	405052569	JENFSJFANMPMOB-UHFFFAOYSA-N	227.094	-0.204	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CO[C@@H](C2CC2)C1	691781241	UIZWOMUHRWIPFV-SZEHBUNVSA-N	227.308	-0.136	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCCCO2)n1	694308726	MYFVTPXHAYCUAG-MRVPVSSYSA-N	210.042	-0.868	50	10	BBGE	
C[C@](O)(CN1[C@H]2CC[C@H]1C(=O)OC2=O)C(F)F	703445421	VZZMBBUCCKLLCQ-VGIXGZPDSA-N	249.213	-0.081	50	10	BBGE	
COCCOC1CN([C@@H](C)CCC(=O)NN)C1	707346466	JXCSGQULTBNZBM-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)[C@@H](C)C(=O)NN	724129351	WDDRSIJVZDTLCM-BIIVOSGPSA-N	201.270	-0.526	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)[C@H]1COCCO1	744643241	BNWTXCWBUHIUJN-RNFRBKRXSA-N	248.304	-0.699	50	10	BBGE	
O=C(CO)NNC(=O)CCOc1ccccc1	753721365	SOLYTXBTNLGIQG-UHFFFAOYSA-N	238.243	-0.405	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)Cc1ccsc1	786986924	BMAOCYGOTLIJBS-LURJTMIESA-N	228.273	-0.181	50	10	BBGE	
CCOC1CC(C=NNC(=O)C(N)=O)C1	794858625	PSZDBDNSKJVXHS-UHFFFAOYSA-N	213.237	-0.611	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1	814343855	YPHUGFUNSRFFNX-XHNCKOQMSA-N	242.275	-0.262	50	10	BBGE	
CN1CCN(C(=O)NNC(=O)C2(F)CC2)CC1	844136426	GZCFGWOUPANXTQ-UHFFFAOYSA-N	244.270	-0.523	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1ncon1	1134617097	NZPASTJNAVKEDT-UHFFFAOYSA-N	206.108	-0.904	50	10	BBGE	
CCNC(=O)NNC(=O)CCCCC(N)=O	1325929902	MWVLILKKTSTJAQ-UHFFFAOYSA-N	230.268	-0.618	50	10	BBGE	
C[C@H](NC(=O)CCl)c1nc(=O)o[nH]1	1875878643	HWJVHAHIGPZXTB-VKHMYHEASA-N	205.601	-0.221	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@H](O)C[C@@H](O)C1	1877520013	IWKOIEPXUCLWQH-NGJRWZKOSA-N	219.668	-0.432	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@H]1C[C@@H]1Cl	1883637711	ARNMJARDKMJWBG-YTLHQDLWSA-N	204.657	-0.937	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](O)[C@@H]1C[C@H]1Cl	1883645907	TUTDVCVRKMJTKN-QYNIQEEDSA-N	227.713	-0.134	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC=CCO	1883647694	PHUMFQLLWKUCPI-JJNOFAKTSA-N	203.625	-0.027	50	10	BBGE	
CN1CC(=O)N(C[C@H]2C[C@@H]2Cl)CC1=O	1893097582	CILHSKXRJPSOSL-RQJHMYQMSA-N	216.668	-0.086	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC[C@H]2C[C@H]2Cl)C1	1893098792	KUFZAXCYWOYPAI-NGJRWZKOSA-N	239.724	-0.639	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893475369	SPYPTWIYZWTHMQ-JGWLITMVSA-N	221.640	-0.436	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@H](F)C1	1900260403	QICFRTFSKRLUJI-RKDXNWHRSA-N	233.287	-0.329	50	10	BBGE	
C=CCC[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1901340995	NISUQSLFSHNRLY-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
C[C@H](CCCC(=O)NN)Sc1nnnn1C	1901770002	JEGMFBJFQSDVNN-ZCFIWIBFSA-N	244.324	-0.149	50	10	BBGE	
CCn1cnnc1CN1CC[C@@H](B(O)O)C1	1902517661	KIZZQOXVTQESPA-MRVPVSSYSA-N	224.073	-0.653	50	10	BBGE	
C=CC[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1903159250	XCNFKFGJHDHYAZ-NKWVEPMBSA-N	229.041	-0.759	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H](OC)C1	1904643374	VMUMOZVJIXWQAR-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1CCOCC(=O)NN	1908495306	XSNBERNHAKJMCI-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3COC[C@@H]32)n1	1908820756	OQDGDOWOENEGGK-SVRRBLITSA-N	238.247	-0.891	50	10	BBGE	
CCC[C@H](N=S1(=O)CCOCC1)C(=O)NN	1913862072	NVLXMYKXRBWGNS-QMMMGPOBSA-N	249.336	-0.357	50	10	BBGE	
COCC[S@](C)(=O)=N[C@H](C)CC(=O)NN	1918071335	DNMOBNQJVXCNLB-MLXNANBUSA-N	237.325	-0.501	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1CNC(=O)CCl	1924622337	LRXDXGNJAAPJRH-SFYZADRCSA-N	220.700	-0.082	50	10	BBGE	
NNC(=O)c1coc(CN2CCC2=O)n1	1928993957	JUOIEQRRBQTWKZ-UHFFFAOYSA-N	210.193	-0.990	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC1(C)C	1934005078	TUBDNGMMMBDWTA-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
COc1ccc(O[C@@H](C)OC)c(B(O)O)c1	1935672408	MBXXNPQBFWDGGQ-ZETCQYMHSA-N	226.037	-0.254	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936094144	KTUWBGMSHCJLKZ-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](Oc1cccn(C)c1=O)C(=O)NN	1939777061	VIAUBKTXYHYXHY-ZETCQYMHSA-N	225.248	-0.467	50	10	BBGE	
CC1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)C1	1941093163	ODIGSUIKUJJESE-JGVFFNPUSA-N	239.275	-0.603	50	10	BBGE	
CCC[C@@H](OC[C@@H]1COCCCO1)C(=O)NN	1948416325	IYOICLHMSMSIDD-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
OB(O)c1csc(OCC(F)F)n1	1954085298	BZLIGVOIVVEIRC-UHFFFAOYSA-N	208.982	-0.533	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H](N)C1	1954216738	ZUYWLNUDBWGXEO-YUMQZZPRSA-N	203.673	-0.223	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)CCCN1	1954822800	VCEOSJDBSAZMGE-SSDOTTSWSA-N	206.673	-0.592	50	10	BBGE	
COCn1nccc1S(=O)(=O)N=C=O	1957141434	BCDVLVRYDLAURQ-UHFFFAOYSA-N	217.206	-0.489	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2CCO2)c1	1958935576	BBVIAXYZXMYMMN-SNVBAGLBSA-N	208.022	-0.466	50	10	BBGE	
CC[C@@H](O)CN(C)CCCCC(=O)NN	1959510417	BJMWSGPBJWCMNG-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
OB(O)c1cncnc1S[C@@H]1CCOC1	1961709249	XEVQVVTWCNVRHS-ZCFIWIBFSA-N	226.066	-0.963	50	10	BBGE	
CN(CC(F)(F)F)c1nc(B(O)O)cs1	1961717978	IPYVUXUUUYAQRN-UHFFFAOYSA-N	240.015	-0.179	50	10	BBGE	
CNC(=O)CNC(=O)C1CC(Cl)C1	1964871576	RPZPJBAZUKBXHD-UHFFFAOYSA-N	204.657	-0.134	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1OCC[C@@H]1F	1975257248	OKIKGNRUXCQSCA-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
CCCCC(=O)Nc1ccc(B(O)O)cn1	1976031268	FXQOKVPFNUCZFO-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
CN(CC1(C)CC1)c1ccc(B(O)O)cn1	1981417238	YHUODBVUTPWKJY-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@H]1CSCCN1c1ccncc1B(O)O	1981426679	PPFRIAWCEPTHBK-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985466395	ZJCRISKTTCVKAF-JXUBOQSCSA-N	227.308	-0.829	50	10	BBGE	
O=C(O)C1CC(O)(CNC(=O)[C@@H]2C[C@H]2Cl)C1	1991685604	BDDNXARRAWDHNZ-ZBFMHRLGSA-N	247.678	-0.044	50	10	BBGE	
CN1CCC[C@H](OC[C@H]2C[C@@H]2C(=O)NN)C1	1992111132	OABSSLMMJAMHGK-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1	1992377765	VAIWGPKNGZSOKB-UTINFBMNSA-N	225.292	-0.239	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCO1	1992836080	IYPCNYDWFQFHAR-UHFFFAOYSA-N	221.021	-0.856	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)C=CC(=O)Cl)C[C@@H]12	1993441109	UVKBKTJKKZWTKA-PHDIDXHHSA-N	242.662	-0.502	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC(F)C3)(C1)C2	1993891438	QRSRFGGWGNAQPP-MGCOHNPYSA-N	229.255	-0.821	50	10	BBGE	
COC(C)(C)CN(C)c1ccc(B(O)O)cn1	2004915702	BZBNQBNUBCSJFF-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]1CCOCCN1c1ccc(B(O)O)cn1	2004918380	KZCUZEKYFATJLR-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NNC(C)=O)C1(C)C	2019208297	GBKRMLQCLOYMAF-VIFPVBQESA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2019219969	SQAHHAUPJYGUII-KNDBQHFLSA-N	237.303	-0.260	50	10	BBGE	
Cn1nccc1C(=O)N[C@H]1CCC=C1B(O)O	2020061169	FFPXCNMWEUKPML-QMMMGPOBSA-N	235.052	-0.749	50	10	BBGE	
C[C@@H](C(=O)NCC#CB(O)O)c1ccccc1	2021165182	SAFBFFYOKFEOKQ-SNVBAGLBSA-N	231.060	-0.078	50	10	BBGE	
N#Cc1c(Cl)cc([N+](=O)[O-])cc1B(O)O	2060105944	OARMKJTXPOEKMX-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
COc1cc(B(O)O)cc(Cl)c1C=O	2060134219	SYDICGRJTLCNNG-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCOc1cc(OC)cc(C=O)c1B(O)O	2060136479	AEEIMIKGRPUWQK-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COC[C@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	2069653401	GCZIKDAWIMZDFL-RKDXNWHRSA-N	249.075	-0.413	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)c1ccccc1B(O)O	2079009472	IAEYULSKICRNQG-ZYHUDNBSSA-N	249.075	-0.726	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)[C@H](C)CO1	2209553510	WOJSJIVOOUGDIY-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
OB(O)c1csnc1COCC1CC1	2209703284	QCVLPIYLMVPIDF-UHFFFAOYSA-N	213.067	-0.251	50	10	BBGE	
CN(C)[S@](C)(=O)=NCC1(C(=O)NN)CCC1	2212262545	OPGRBAUUOFGGGC-MRXNPFEDSA-N	248.352	-0.279	50	10	BBGE	
CC1(C)CC[C@H]1n1cc(B(O)O)cnc1=O	2212715333	KWLOXJKBCRZKPP-MRVPVSSYSA-N	222.053	-0.716	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1C[C@H]2CC[C@H]1O2	2215198724	JHIGTCRTBSDGJH-DOLQZWNJSA-N	243.307	-0.757	50	10	BBGE	
COC1CC(COc2ccncc2B(O)O)C1	2216534488	OKTORUFAYHWWGP-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2217173002	NVZPSPJDAVSFJW-WPRPVWTQSA-N	235.096	-0.877	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)CC(F)F	2217202913	MXUYFPIDZIBKTC-ZETCQYMHSA-N	244.050	-0.114	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H](CN)C1CC1	2220065750	QWZOXNOALJWPIJ-CYBMUJFWSA-N	248.135	-0.465	50	10	BBGE	
COC[C@@]12C[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223627892	OGQHSKHPDIWNFS-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
Cc1cnc(N2CCC(C)(N)CC2)cc1B(O)O	2223641296	SHLUFDUPUSQFRZ-UHFFFAOYSA-N	249.123	-0.613	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@H]2CCNC2)cc1B(O)O	2223642376	IERUDMGDOJBTDW-ZJUUUORDSA-N	249.123	-0.520	50	10	BBGE	
CN(C)C[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2223644212	GFCJELHEUMFGQY-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
N[C@@H]1CC[C@H](CCN=c2ccc(B(O)O)c[nH]2)C1	2223669077	FTBGVKSIYUBAKE-MWLCHTKSSA-N	249.123	-0.887	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ccnn1C	2223674250	JZEZBRQPYQALHX-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCc1ccccc1	2224029147	BAYJBEGQYRHWER-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)N[C@H]1C[C@H](Cl)C1	2241657640	MNAHMFKSDFPYIR-ZLUOBGJFSA-N	221.640	-0.028	50	10	BBGE	
CS(=O)(=O)N1CCOCC[C@@H]1N=C=O	2241660094	ZBUGMNOYSAVCDT-SSDOTTSWSA-N	220.250	-0.670	50	10	BBGE	
O=C1[C@H]2CC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2243363077	AREUHJUHKFUCNX-RQJHMYQMSA-N	223.037	-0.612	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)sn1	2243378670	XLNZUBZENJETKI-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1COC1	2243391476	LBRHHUCNWFWMRD-DTWKUNHWSA-N	227.069	-0.513	50	10	BBGE	
CCCCN(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243395695	AUJXUEGNPRXQNM-IUCAKERBSA-N	229.085	-0.530	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2243401064	LQLCHPHTWXKWHR-LALMQGGXSA-N	219.049	-0.980	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)C1(B(O)O)CC1	2243409781	OUXBQYFELGVYII-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243415055	NISORMVZKPGIQS-WDSKDSINSA-N	240.093	-0.649	50	10	BBGE	
C#CC1(CNC(=O)C2CC(B(O)O)C2)CC1	2243417636	VIRZLQZZQOBFNG-UHFFFAOYSA-N	221.065	-0.231	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243753670	YEGMPAHLICBWSR-XVMARJQXSA-N	229.041	-0.781	50	10	BBGE	
CCCN(C[C@H](C)O)CC1(C(=O)NN)CC1	2244881261	FEYJHPNTLGXEMV-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1coc(B(O)O)c1	2247734619	UOTNVOKGKASSEX-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)C1(B(O)O)CCC1	2247735218	XMJDUNXIFVZHSM-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]1C1CCOCC1	2247736989	AXCLLUCKGUMBOD-JTQLQIEISA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@H]2CCCC(F)(F)[C@H]21	2247744687	WQBDMGJURYELQC-NBEYISGCSA-N	243.018	-0.448	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)cc1OC	2247755852	DSPRBVRGEDCPBC-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
O=C(N[C@@H]1CCCC12CNC2)[C@@H]1C[C@H]1B(O)O	2247798791	XGLMIOIYIFVFTK-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
C[C@]1(CO)C=CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247798938	YMGKGGYIZDMVCW-ATZCPNFKSA-N	239.080	-0.611	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@@H]1C[C@@H]1B(O)O	2247799612	GAMURDBJRKJEMF-MBXMOIHESA-N	239.080	-0.657	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC12CC(F)(F)C2	2247850316	MTYWXCVIXBBVRZ-ZETCQYMHSA-N	243.018	-0.304	50	10	BBGE	
CC(C)N(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2247886456	BSGLLBOQTSVYFJ-IUCAKERBSA-N	243.112	-0.143	50	10	BBGE	
C[C@@H](CCNC(=O)C1CC(B(O)O)C1)N(C)C	2247893807	YQGMUQVPATUDOY-IDKOKCKLSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247896752	JYZFJBJHOILKGC-FKTZTGRPSA-N	241.096	-0.531	50	10	BBGE	
CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247898037	ZTKJXTZMMZXJQV-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
COc1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247898166	AWNYYDGXYGJQEO-BQBZGAKWSA-N	236.036	-0.108	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2CC(B(O)O)C2)[C@H]1O	2247904231	OZPHMHHTDRAGOU-ABIFROTESA-N	241.096	-0.485	50	10	BBGE	
CCCCCNC(=O)c1nccnc1B(O)O	2248049303	RWJBOUHZTVJCQD-UHFFFAOYSA-N	237.068	-0.924	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C(=O)O	2248584703	ALYMVWUPNTUFDF-QYNIQEEDSA-N	241.052	-0.829	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1C[C@@H]1C(=O)O	2248588171	ZOXRUYSQNIHLST-ZXVYDBTHSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H](C1)[C@H]2O	2249560741	OCWUHLVYEUIEKS-PEGIJTEDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2coc(B(O)O)c2)C1	2255453626	ITLZCYLQRBSGJD-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
CCc1cccc([C@H](C)NC(=O)C#CB(O)O)n1	2255460918	ZYDYMDUBZJIRJU-VIFPVBQESA-N	246.075	-0.163	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)cn1CC	2255499013	YFINCPWWNHZRCA-JTQLQIEISA-N	248.091	-0.671	50	10	BBGE	
O=C(NCCc1ccc(O)cc1)[C@@H]1C[C@@H]1B(O)O	2255569762	YUCOCSNVKWFWSS-MNOVXSKESA-N	249.075	-0.086	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2ccccc2CN1	2255582701	IHGIFVUJCUQBKY-QWRGUYRKSA-N	246.075	-0.104	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255802199	VYINUTPSITVXLJ-AOOOYVTPSA-N	249.079	-0.312	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC[C@@H]2C[C@H]21	2255892948	MPJWTBIOEGETRZ-LDYMZIIASA-N	246.075	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2COC[C@H]21	2298165508	GOUHGHLXLDXZFL-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOC[C@@H]1C1CC1	2298377399	PMHPDUOSXPAFAQ-IVZWLZJFSA-N	239.080	-0.513	50	10	BBGE	
O=C1[C@@H](F)CCN1Cc1cccc(B(O)O)c1	2301876253	JIYUWYSLOPKCFY-JTQLQIEISA-N	237.039	-0.563	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	2302053164	PWEHGDGJTMCUCC-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
COC[C@](C)(OC)C(=O)N1CC[C@H](B(O)O)C1	2303111726	MGBHMZWLFHGOJK-WPRPVWTQSA-N	245.084	-0.887	50	10	BBGE	
O=C(c1ncncc1F)N1CC[C@H](B(O)O)C1	2303113253	BHJVKQWCSXMIBN-LURJTMIESA-N	239.015	-0.695	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317306934	WALPXPMDRUVPTJ-NEPJUHHUSA-N	248.091	-0.529	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1C(=O)O	35298749	POYROVUSNGEQGL-MRVPVSSYSA-N	243.263	-0.907	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H]1C(N)=O	82470029	YGFNISMJEAKNLK-QMMMGPOBSA-N	228.296	-0.904	50	10	BBGE	
C[C@@](O)(CO)CNS(=O)(=O)CCCCl	85249985	XINMFXJERKDPBK-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(O)CC1	86313267	ZXVFWEGRBDDORI-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CN(CC(=O)NNc2ccccn2)CCN1	88059962	ZTRFWARJZGOOBL-SNVBAGLBSA-N	249.318	-0.182	50	10	BBGE	
CC1=C(C#N)[C@H](c2ccc(C#N)cc2)CC(=O)N1c1cccc(C(F)(F)F)c1	94152650	BNQQTBAIFAQNOW-UHFFFAOYSA-N	381.357	4.895	50	10	BBGE	
Cc1noc(CN2CC(=O)OC(=O)C2)n1	111218206	CLSJSSMGNJMGHG-UHFFFAOYSA-N	211.177	-0.737	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C(C)(C)CO	134187493	HRNCAHGNAXFTPN-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CCC(=O)NN)C1	159485473	YKGWTDKWMWZSDE-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
COC(=O)NS(=O)(=O)NC/C=C/CCl	168536638	NNXJKOVWRQMBQH-NSCUHMNNSA-N	242.684	-0.028	50	10	BBGE	
COCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223115078	NYIYKGVQPKALRP-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](Cc1ccc(B(O)O)cc1)N1CCOCC1	225082665	SRFDUWUCTRUNGS-LLVKDONJSA-N	249.119	-0.370	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H]1CCCN1	233509131	XGKKOVRANFCIJN-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccc(=O)cc2)n1	236254489	FSCXYOLSQBAOPC-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CCC[C@H]1N=C=O	251039400	NTSBLJODQUMQKE-SFYZADRCSA-N	229.261	-0.014	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)C(=O)NN	252874811	QCDZXNCYFIEHJT-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
O[C@H]1[C@@H](CF)O[C@@H](O)[C@@H](O)[C@@H]1Cl	306196934	RJDGZORNPYKEPA-RWOPYEJCSA-N	200.593	-0.998	50	10	BBGE	
O=CNNC(=O)[C@H]1CSCCS1	306494915	YTUUQUKABDMHAE-RXMQYKEDSA-N	206.292	-0.388	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@](O)(C(N)=O)C1	306948248	SETRIXVLWMZLSF-HZGVNTEJSA-N	234.683	-0.548	50	10	BBGE	
OB(O)/C=C/c1ccc(/C=C/B(O)O)cc1	309568922	VFEOKQJXYYUODR-KQQUZDAGSA-N	217.826	-0.263	50	10	BBGE	
C=CCc1nnc2n1C[C@@H](C(=O)NN)CC2	380053339	KZIHJJPQRMIFSA-ZETCQYMHSA-N	221.264	-0.441	50	10	BBGE	
C[C@@H]1OCCN(Cc2ccc(B(O)O)cc2)[C@H]1C	380287975	ABOIXPVQFAVOJN-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
CCC1(O)CN(Cc2nc(C(=O)NN)co2)C1	386936456	GPLXADBHCKQPHC-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
Cn1nnc(CN[C@@]2(CCl)CCOC2)n1	393931371	JVSVZVZAEXUJIR-MRVPVSSYSA-N	231.687	-0.302	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1[N+](=O)[O-]	396047566	GDTJNWDTBZUELJ-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c([N+](=O)[O-])c1	396058251	WDAUQWPGMILXPC-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
N#CCCc1cc(C(=O)O)ccc1B(O)O	396134534	VGUIMKIBBSOLAV-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
CN(C)CCC(=O)Nc1cccc(B(O)O)c1	404936567	DZGBCSCVJZGYNV-UHFFFAOYSA-N	236.080	-0.743	50	10	BBGE	
O=C1N[C@@H](C(=O)NNC(=O)C2CCC2)CO1	495724848	CWWJBHNEAWAZTA-ZCFIWIBFSA-N	227.220	-0.958	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2=CCNCC2)CC1	692178185	NNHHPBVTTLLVBC-UHFFFAOYSA-N	235.287	-0.217	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1n1nc(C)c(B(O)O)c1C	694306891	DUTRJUZSQHIUBY-VHSXEESVSA-N	238.096	-0.080	50	10	BBGE	
Cc1nn(Cc2ccc(C(=O)NN)cc2)c(=O)o1	694823370	AUMUPEZFRWQRKY-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)[C@@H](CO)C1	699488500	FMVIHVJUWFRAQA-BDAKNGLRSA-N	222.716	-0.806	50	10	BBGE	
CO[C@@H](CNC(=O)C(=O)NN)C1CCCCC1	702147379	ROMANMOJUHFVKT-VIFPVBQESA-N	243.307	-0.312	50	10	BBGE	
CNNC(=O)CS[C@@H]1CCS(=O)(=O)C1	704609620	VTELRIAOZIFVSP-ZCFIWIBFSA-N	238.334	-0.843	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1CCOC[C@H]1Cl	706705304	ZAFGRRGPRNCCHM-PHDIDXHHSA-N	217.660	-0.560	50	10	BBGE	
Cn1cc(CNC(=O)NN)c(Br)n1	720091221	IHAHNSBWLGHQJD-UHFFFAOYSA-N	248.084	-0.145	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CCCC(=O)NN)C2	723700361	YCELZKKRWMCJSY-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
CC1(C(=O)NNC(=O)c2cnn[nH]2)CCC1	749985474	BZBDVUOHRNCBDS-UHFFFAOYSA-N	223.236	-0.244	50	10	BBGE	
COCC(=NNC(=O)C(N)=O)c1ccccc1	790142929	NUEPXUPCWNNAFZ-UHFFFAOYSA-N	235.243	-0.361	50	10	BBGE	
O=C(NNc1ncccn1)c1ccc(O)nn1	1141445484	ORVXILRCUMSDRZ-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
OCc1ccnc(N2CC[C@@H](B(O)O)C2)n1	1331894847	HNVMULZRSLIOKZ-SSDOTTSWSA-N	223.041	-0.978	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NN(C)CCOC	1449370572	MNSGFLCTXXNOOC-SNVBAGLBSA-N	216.281	-0.077	50	10	BBGE	
C=C(C)CCC(=O)NNC(=O)[C@@H]1COCCO1	1457156829	TWPSAHJLULGYTQ-VIFPVBQESA-N	242.275	-0.095	50	10	BBGE	
CONC(=O)CNC(=O)NNC(=O)CC(C)C	1565421431	WVZGENFYHALAQI-UHFFFAOYSA-N	246.267	-0.960	50	10	BBGE	
CC(C)NC(=O)NNC(=O)Cn1nccc1N	1583871064	WLHIJJIDLKLATF-UHFFFAOYSA-N	240.267	-0.796	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ccncn2)CCN1	1624513378	JKXNMHUWFGLOFT-ZETCQYMHSA-N	235.247	-0.554	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(=O)cc[nH]1	1627016140	BXJJPGNWQRPQOJ-UHFFFAOYSA-N	224.220	-0.709	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1ccncn1	1627971823	TWHWHCYCWJLTPE-UHFFFAOYSA-N	219.208	-0.340	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCNC(=O)CC1	1637412752	XMSCCMPCQSYOQB-IUCAKERBSA-N	243.307	-0.754	50	10	BBGE	
COC(=O)N(C)NC(=O)NCC#CCN(C)C	1685775701	DAEDFUNZKTZNRA-UHFFFAOYSA-N	242.279	-0.536	50	10	BBGE	
COC1(C(N)=O)CN(C[C@@H]2C[C@H]2Cl)C1	1893098550	JFUKFXYKTULEMN-NKWVEPMBSA-N	218.684	-0.200	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@@H]1F	1895381889	NJWRQOOCUDBGMX-VDTYLAMSSA-N	224.000	-0.942	50	10	BBGE	
C[C@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	1901242210	IKCBZLGYUUYUHO-CPCISQLKSA-N	219.049	-0.001	50	10	BBGE	
CCSCC(=O)Nc1cccc(B(O)O)n1	1901556064	SFPCQMKXYKVIDX-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
COC[C@](C)(CN1CC[C@@H](B(O)O)C1)OC	1902505376	HJEMKMZQGSVYBC-ZJUUUORDSA-N	231.101	-0.413	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H](F)[C@H](F)C2)c(F)c1	1907080308	MLLZWIZJLZDSPQ-HTQZYQBOSA-N	245.997	-0.603	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCCO)CCCO	1922173377	UZBSCKNBIITCLV-SNVBAGLBSA-N	247.339	-0.932	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1C[C@@H]1[N+](=O)[O-]	1923195758	KTVRXCCDHCSWOK-GBXIJSLDSA-N	241.125	-0.639	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C(=O)NC(=O)[C@@H]2C1	1927862759	UZPQTUBEFLSKRU-HSUXUTPPSA-N	230.651	-0.655	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1927930260	KGESOKVLCQZHPA-KHQFGBGNSA-N	213.281	-0.382	50	10	BBGE	
CON(C)Cc1cccc(C(=O)NN)n1	1928676126	BZZAKQQPQKCJSA-UHFFFAOYSA-N	210.237	-0.322	50	10	BBGE	
CN1CCC(CC(=O)NNC(N)=S)CC1	1931359147	BMHLSKPVPIGBKD-UHFFFAOYSA-N	230.337	-0.417	50	10	BBGE	
CC1(C)[C@H](CO)CCN1CCC(=O)NN	1931526671	LWOCYVSPAGDUDP-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O=S(=O)(NCB(O)O)c1ccc(Cl)o1	1932365023	XYMFNAAFDKPXNM-UHFFFAOYSA-N	239.445	-0.777	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]1C(F)(F)F	1935125684	CFEOYOYSSOPSQW-CRCLSJGQSA-N	212.171	-0.202	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NNCCO)C[C@@H]12	1935449996	NNSIMNUGUKAZEL-OOZYFLPDSA-N	200.238	-0.976	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	1936091430	PBJJSSDKWLTBRZ-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)C[C@@H](C)C1(F)F	1938959464	GGHPOUIFTJFYLS-PHDIDXHHSA-N	235.234	-0.274	50	10	BBGE	
O=C1CN(CCBr)CC(=O)N1	1953288071	UZWFVMCATVEIGG-UHFFFAOYSA-N	221.054	-0.660	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@H]2COC[C@H]21	1955233737	UFDYFXZFPYGTCX-HSNKUXOKSA-N	219.668	-0.168	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(O)(C(=O)OC)C1	1958805145	PZMJUNYGIRCAIS-LURJTMIESA-N	235.667	-0.250	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1961572218	QMPGGUVJWRMMIW-LURQLKTLSA-N	213.281	-0.790	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](F)[C@@H](C(=O)O)C1	1974547118	AEJGJEHZLSYBEU-WDSKDSINSA-N	219.216	-0.473	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](F)[C@@H](CO)C1	1974559715	ZRQHVEDURWAXLX-HTQZYQBOSA-N	219.260	-0.981	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C(F)F	1975172310	YZYOWJHBCLHQBE-WDSKDSINSA-N	225.239	-0.423	50	10	BBGE	
CN(C[C@H]1COC(C)(C)C1)C(=O)C(=O)NN	1976381533	QGKXONAZNBLOOZ-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
CC(C)(C)c1ocnc1C(=O)NCB(O)O	1976747367	HWBDTBXRXVAHDR-UHFFFAOYSA-N	226.041	-0.286	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](N(C)C)CC1(C)C	1977319948	ROUYIQYBTSVNCD-DTWKUNHWSA-N	228.340	-0.221	50	10	BBGE	
CC(C)OCC1CN(C[C@H](C)C(=O)NN)C1	1979179149	IDQOXWGEPRNGFL-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@H]1C[C@H]2Cl	1981232974	HHGPYANZLSFMAZ-GJMOJQLCSA-N	241.682	-0.099	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@H]21	1981409687	QAOJQSAUMFBGDL-VXNVDRBHSA-N	219.053	-0.855	50	10	BBGE	
CC1CC(N(C)c2ccncc2B(O)O)C1	1981420571	MTEPBYMETKLAPJ-UHFFFAOYSA-N	220.081	-0.004	50	10	BBGE	
CC[C@@H]1CCN(c2ncccc2B(O)O)C1	1981424595	VXVWPNOUIJQPRG-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)CCCO1	1981471550	JPSSBTJKRSFEBV-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1(CCO)CC1	1988601809	RXMSNKCONVZGAQ-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
N[C@H](Cc1cn(C[C@@H]2C[C@H]2Cl)nn1)C(=O)O	1991437432	GBPBUCIZWNYVRL-UIISKDMLSA-N	244.682	-0.140	50	10	BBGE	
NCCn1cc(C(=O)NC[C@@H]2C[C@H]2Cl)nn1	1991443911	XTMWFDDHLSIEOR-NKWVEPMBSA-N	243.698	-0.406	50	10	BBGE	
O=C(O)C1=C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2Cl)C1	1991683625	VILAZXMBKOSJKW-XUTVFYLZSA-N	245.662	-0.126	50	10	BBGE	
C=C(CN(C)[C@@H]1COCCC1(F)F)B(O)O	1992149805	XPIPCPNSPOQVLA-MRVPVSSYSA-N	235.039	-0.089	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992324143	VNIVDZKNWWYJAX-YIZRAAEISA-N	227.308	-0.136	50	10	BBGE	
CCC[C@H](SCCOC1CNC1)C(=O)NN	1993410373	GBNDCAOISZLLGK-VIFPVBQESA-N	247.364	-0.133	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NCC#CB(O)O)O1	1993506583	BGJQRQVGKOVBFQ-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
C[C@H]1C[C@]1(F)Cn1cccc(B(O)O)c1=O	1995034919	VZBIRSZDFCNREP-XVKPBYJWSA-N	225.028	-0.724	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(CC2(C(=O)NN)CC2)C1	1997257366	RYPSDSXJPFXYHA-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(CCCCC(=O)NN)C1	2000972027	MUZHTFDGDVKPDB-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
COC1(C)CN(c2cc(C)c(B(O)O)cn2)C1	2004914508	PKOPYUXCIJYLPM-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@H](CF)C1	2004934193	COHBLUVFNXLDKV-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
Cc1nc(N(C)[C@H](C)C(C)C)ncc1B(O)O	2004975404	YOEFDKNDYPWQSI-SECBINFHSA-N	237.112	-0.054	50	10	BBGE	
COC[C@H](C)CCOc1ncc(B(O)O)cn1	2014227113	WBLGDIFRQXVJJU-MRVPVSSYSA-N	240.068	-0.792	50	10	BBGE	
CN(C[C@H]1CC12CC(F)(F)C2)C(=O)C(=O)NN	2015577021	QNRCTWJVHUOSSN-ZCFIWIBFSA-N	247.245	-0.130	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@@H]2CC[C@H]21	2015990443	OFDPHQBLXZEXJF-DAWVFNFOSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCCC2(F)F)nc1	2020349391	WWFCDXWCZUNGCS-SSDOTTSWSA-N	244.006	-0.277	50	10	BBGE	
CC(C)CN(C(=O)C(=O)NN)C1CCOCC1	2020544643	GVGRMKNVALWULR-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
N#Cc1cc(B(O)O)cc(OC(F)F)c1C=O	2060279208	SFQSERZHEIQHQP-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
C[C@H]1COCCN1C(=O)c1ccccc1B(O)O	2079009885	LIYHGIKVBLBYKP-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
C=CCOC(=O)NCCc1cccc(B(O)O)c1	2084672358	LFAGQSMSLUCLLA-UHFFFAOYSA-N	249.075	-0.179	50	10	BBGE	
C[C@H]1C[C@H]1CCn1cc(B(O)O)ccc1=O	2211591444	UHYKTYWVPFMOEL-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
CSC[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2212602292	BLFWIUNSMLTBOE-MRVPVSSYSA-N	240.137	-0.406	50	10	BBGE	
CC(F)(F)CNc1nccc(B(O)O)c1F	2212605286	BFLQWNZWEASSKM-UHFFFAOYSA-N	233.986	-0.032	50	10	BBGE	
C[C@@](CO)(Nc1cc(B(O)O)ccn1)C(F)F	2217175588	KVASYYCFKDPQOJ-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)Nc1ncccc1B(O)O	2217177484	JMKJKIJIYLODCF-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
CC(C)OCCNc1nccc(B(O)O)c1F	2217180145	FPUSTGBWMDESOM-UHFFFAOYSA-N	242.059	-0.263	50	10	BBGE	
C#CC[C@@H](C)CN(C)c1ccc(B(O)O)cn1	2217182289	BOURNUSDEZWWIR-SNVBAGLBSA-N	232.092	-0.143	50	10	BBGE	
Cc1cnc(N[C@@H](CO)C2CC2)cc1B(O)O	2217183565	JKRKAALIMSWCKH-JTQLQIEISA-N	236.080	-0.747	50	10	BBGE	
CC1(C)NC[C@H]1Oc1nccc(B(O)O)c1F	2217187773	DSSGBXSIQLJVEU-SSDOTTSWSA-N	240.043	-0.970	50	10	BBGE	
C=CCNCCOc1nccc(B(O)O)c1F	2217190428	DJXCMCRGROIRDO-UHFFFAOYSA-N	240.043	-0.945	50	10	BBGE	
CN(CC1(O)CCC1)c1ncccc1B(O)O	2217201750	FRAFRLHRFDOCAR-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCC=CO2)nc1	2217201770	RPKQJQHNHSQDPW-SNVBAGLBSA-N	234.064	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@@H]1C(C)C	2217206599	OZOSROMALSZMCJ-SNVBAGLBSA-N	243.307	-0.490	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1(CN)CCC1	2220061172	CKSOCYPXZJRTFL-UHFFFAOYSA-N	248.135	-0.320	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CC[C@@H](CO2)C3)nc1	2223652323	IFQTWQMWINWNSD-SKDRFNHKSA-N	248.091	-0.258	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CSC1	2241473139	DMODUXJWKJOQDE-UHFFFAOYSA-N	215.083	-0.433	50	10	BBGE	
C=C(CN1CC(P(C)(C)=O)C1)B(O)O	2241806591	SZVFZXBUPNOFKO-UHFFFAOYSA-N	217.014	-0.139	50	10	BBGE	
CC(F)(F)CNC(=O)c1cscc1B(O)O	2243349674	OVCZTBZOLNALIF-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
C=CCNC(=O)c1ncc(B(O)O)cc1Cl	2243377515	APDVQPIQQFYLPN-UHFFFAOYSA-N	240.455	-0.669	50	10	BBGE	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243381857	JSHCDFPLGPAZKM-XSPKLOCKSA-N	229.085	-0.628	50	10	BBGE	
CNCCN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2243383241	WFIADOWXNCRLNA-DTWKUNHWSA-N	228.101	-0.694	50	10	BBGE	
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H]1B(O)O	2243391391	KDVGRKUXSAZBFX-VGMNWLOBSA-N	224.069	-0.143	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2243391910	ORBPRIBVOYTOJL-GHCJXIJMSA-N	225.053	-0.856	50	10	BBGE	
CCN(CCF)C(=O)c1cc(B(O)O)sn1	2243397855	KINQDSBMAVXZQL-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(C(F)F)CC1	2243399914	SKUDJMSSOUWYDS-UHFFFAOYSA-N	231.007	-0.495	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1C(=O)C1(B(O)O)CC1	2243408336	LJVLHVHNBNLLNF-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
CC1(C)CNC[C@@H]1NC(=O)C1(B(O)O)CC1	2243409235	DGGCFDFQUWMQSK-ZETCQYMHSA-N	226.085	-0.892	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243426561	ISGQRZCRVHPEGP-QXFUBDJGSA-N	227.069	-0.777	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COC2(CCC2)C1	2243872759	WCHWJDCWWJVZGW-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@@H](N[C@H]2C[C@H](Cl)C2)C1	2244013155	YJADRSBMRNTXMJ-XKNYDFJKSA-N	249.738	-0.160	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCCCC1	2247740502	LRBPUUMKDLCBBE-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
Cc1noc(C)c1[C@@H](C)NC(=O)C#CB(O)O	2247741896	HKBSMSZMZCEKGG-ZCFIWIBFSA-N	236.036	-0.516	50	10	BBGE	
Cc1cccc(C(=O)N2CC(F)C2)c1B(O)O	2247760386	HKQVAUUJJLOHMQ-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
CCCC[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782156	QXIGAWILKLJSBF-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
C=CCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CNC1	2247786887	ICMABGFNSXAYKL-DTORHVGOSA-N	238.096	-0.726	50	10	BBGE	
Cc1nocc1CNC(=O)C1CC(B(O)O)C1	2247798546	VJHXWBYPMWHHBT-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247809078	NMMZCSYTCFZDOM-QXEWZRGKSA-N	243.112	-0.093	50	10	BBGE	
CN(Cc1ncccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247809305	OVNMYICJPBNCEA-SFYZADRCSA-N	235.052	-0.702	50	10	BBGE	
O=C(NCCCc1cnoc1)[C@@H]1C[C@H]1B(O)O	2247809960	SOPFSASYXTVPCF-RKDXNWHRSA-N	238.052	-0.414	50	10	BBGE	
COCCCN(C)C(=O)c1ccc(B(O)O)o1	2247842739	ZIBNXSJYPBEBFX-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247855519	UCKOKPSEIAPVFA-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
CCN(CC)CCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247860351	VSKTVRZRIGMBPR-VHSXEESVSA-N	242.128	-0.351	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2247872273	PRHVRCNCQIUJJG-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C2(B(O)O)CC2)N1	2247875512	ZXBLDJZRTYJBBP-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895116	OSQZFIMSWKDKBT-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
CCC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCOCC1	2247897392	RRKPYJLBYBUTOF-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCC#CB(O)O)c1c[nH]nc1C1CC1	2248647470	YTMXGFJSJBMHNZ-UHFFFAOYSA-N	233.036	-0.968	50	10	BBGE	
Cc1ncnc(O[C@@H]2C=CCCC2)c1B(O)O	2249276539	WZIGBAGEBYWGCJ-SECBINFHSA-N	234.064	-0.048	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cocc1B(O)O	2249415698	HVTLGGFONCTNEA-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249429379	IICIAHTZWXDIBO-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1[C@H]2CCC[C@@H]1C2	2249439794	KCVYVKCNKIQILJ-DTORHVGOSA-N	235.048	-0.274	50	10	BBGE	
O=C(N1CCn2cncc2C1)C1(B(O)O)CC1	2249737476	YDOJTDLQEAIDMR-UHFFFAOYSA-N	235.052	-0.768	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCN1	2249946049	QCZYLTYRJVAAMG-AATLWQCWSA-N	240.112	-0.504	50	10	BBGE	
CC1(OCc2ccc(C(=O)NN)cn2)COC1	2250805792	DDYOQCHSVLNKFW-UHFFFAOYSA-N	237.259	-0.009	50	10	BBGE	
CCc1nccn1-c1nc(OC)ccc1B(O)O	2254708402	GVVZHGKYBNGZTQ-UHFFFAOYSA-N	247.063	-0.482	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1occc1B(O)O	2255492431	LLFNLMXVYQXXCO-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)ccc1OC	2255497460	BMGOXVHYHXABNS-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cccc(F)c1B(O)O	2255501177	PQRIMMCJONVGMH-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cn1C1CC1	2255503744	OBTLPEGUUFQJQL-XVKPBYJWSA-N	248.091	-0.359	50	10	BBGE	
CC1=C(C)CN(C(=O)c2ncccc2B(O)O)C1	2255516418	LRBIZVVRMCKPRR-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
Cn1cnc2c1CN(C(=O)[C@H]1C[C@@H]1B(O)O)CC2	2255584152	UNEZAYZXCCVFDR-YUMQZZPRSA-N	249.079	-0.832	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1cccc(B(O)O)c1	2255709975	DUVYHLAEFDJWHA-QMMMGPOBSA-N	247.059	-0.483	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ncccc1B(O)O	2255710885	QWJBGCISTPTKQR-VIFPVBQESA-N	246.075	-0.707	50	10	BBGE	
C=C=CCCNC(=O)c1cn(CC)c(B(O)O)n1	2255727561	RJWQASXAQCYMMS-UHFFFAOYSA-N	249.079	-0.956	50	10	BBGE	
Cc1cccc(C(=O)N=c2cco[nH]2)c1B(O)O	2255735740	ZJIOFKBSNKDLEO-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H](C)C#N)c1	2255736225	JDNARJFGKHYKSH-SECBINFHSA-N	246.075	-0.436	50	10	BBGE	
O=C(NC[C@H]1CC(F)(F)CO1)[C@H]1C[C@H]1B(O)O	2298369021	GDFUKFTVNZYXBS-DSYKOEDSSA-N	249.022	-0.610	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371662	RGUURIYXTIFBOG-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)C1CC(O)C1	2300385694	XFFXDXQALNKUED-PMUOWJKOSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1coc(B(O)O)c1	2301197088	DUOZLOBCPPHEFA-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2OC[C@@H]3CCO[C@@H]32)C1	2303103923	GNQNZUBWWOASIF-VLEAKVRGSA-N	241.096	-0.661	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnc(O)[nH]2)C1	2303112775	VMJRPOPEOYGKJC-SECBINFHSA-N	239.040	-0.806	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCc2ncno2)C1	2303162281	RRAZTJBGHMYBSX-SNVBAGLBSA-N	239.084	-0.059	50	10	BBGE	
C[C@H]1NCC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303857606	GLEDRLKDUYWXNJ-MUWHJKNJSA-N	240.043	-0.970	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(B(O)O)cn1	2312614606	ZSPFJWLGDNILQB-GDPRMGEGSA-N	248.091	-0.889	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2cocc2B(O)O)CC1(C)C	2314516186	XJSOEAZZUUCAOD-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
COC[C@H](C)CNc1ccc(B(O)O)cc1C#N	2317151422	QPGVUIZUYNLGNU-SECBINFHSA-N	248.091	-0.068	50	10	BBGE	
CO[C@@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317151818	VMCRPKXTOBWKDJ-LLVKDONJSA-N	246.075	-0.537	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1CCN1	2317216702	QAQSYFSYUSQOED-KCJUWKMLSA-N	246.075	-0.633	50	10	BBGE	
CCOC(=O)C1=CNC2=C(C=O)CCN2C1=O	34087434	ZNWIESIFACIXCY-UHFFFAOYSA-N	236.227	-0.321	50	10	BBGE	
C#C[C@H]1CC[C@@H](C(N)=O)N1C(=O)CCl	39055600	PCXNOANKBYOEIH-BQBZGAKWSA-N	214.652	-0.297	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](c2ccccc2)C1	50601486	ONGOZGTXIMSISH-JTQLQIEISA-N	233.271	-0.008	50	10	BBGE	
CS(=O)(=O)CCS(=O)(=O)NCCCl	63143320	OJDKGWLZWJIXOX-UHFFFAOYSA-N	249.741	-0.811	50	10	BBGE	
Cn1c(C(=O)NN)nnc1-c1ccncc1	75848675	HWIRBMMNOMXUNB-UHFFFAOYSA-N	218.220	-0.519	50	10	BBGE	
COCCCOC[C@H]1CC[C@@H](C(=O)NN)O1	82463220	XSJXRQKWCLYRCH-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC(C)(C)O1	82470064	FWVYXOMKCSXMNV-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CCOCCN(CC)[C@@H](C)C(=O)NN	82538286	XTRKCWGZXAEBLP-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H](CN1CCN2CCCC[C@@H]2C1)C(=O)NN	94444441	PKAXIMGJUQIZAM-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
O=C1O[C@@H]([C@@H](O)CBr)C(O)=C1O	100589549	LKVQNCTVFJZFIV-VHUNDSFISA-N	239.021	-0.005	50	10	BBGE	
Cc1cc(CN(C)CC(N)=O)oc1C(=O)NN	110574632	UFDOQDASKCNUSL-UHFFFAOYSA-N	240.263	-0.891	50	10	BBGE	
C[C@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1=O	118836099	YAMWFMPLQLTETI-LURJTMIESA-N	227.264	-0.603	50	10	BBGE	
CC(=O)N/N=C1/N=C(N)C(C#N)=C1C#N	139205573	AJCMFDXAPOWAER-UHFFFAOYSA-N	202.177	-0.849	50	10	BBGE	
NNC(=O)c1ccoc1COC1COC1	165767674	WWIBXAPZDGKIDC-UHFFFAOYSA-N	212.205	-0.202	50	10	BBGE	
NC(=O)CONC(=O)CCBr	168517473	JYONWENOVWNHPM-UHFFFAOYSA-N	225.042	-0.696	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(B(O)O)cc2F)n1	199005553	WGISGQJHSZXEGE-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
COCCOc1ccc(B(O)O)c(C)c1	216053021	VUFWRTOBEWOMSY-UHFFFAOYSA-N	210.038	-0.300	50	10	BBGE	
C[C@H]1CN2CCC[C@H]2CN1C[C@@H](C)C(=O)NN	227490715	VZFPGRLPOZSSRT-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)CC(F)F	231592355	XETOWJPBJHGCDJ-MRVPVSSYSA-N	239.266	-0.440	50	10	BBGE	
COC(=O)CNC(=O)[C@H](N=C=O)C(C)C	238370928	LCEWLLGDEKBVFB-MRVPVSSYSA-N	214.221	-0.364	50	10	BBGE	
NCCN1CCN(C(=O)CCl)CC1	244045762	SZESZJICWACUCO-UHFFFAOYSA-N	205.689	-0.672	50	10	BBGE	
O[C@@H]1O[C@H](CCl)[C@H](Cl)[C@H](O)[C@H]1O	263613455	ZIBMGOYQTGGDCE-FPRJBGLDSA-N	217.048	-0.728	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1CCCC(=O)NN	304474044	AXNNFHOXTYZMKH-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1c(O)cc2sccc2c1O	307118729	XNWKMCQKNUYJPJ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H](C(=O)O)[C@H]2O1	308747283	GQOKHYKFPZJCCC-QZABAPFNSA-N	212.157	-0.826	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCN(C)C[C@H]2C1	310553789	XIZFOLHGKUSFOP-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
Cl[C@@H]1COC[C@H]1NCCN1CCOCC1	323434264	BHXZOVBVVTXXPZ-NXEZZACHSA-N	234.727	-0.086	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN([C@H](C)C(=O)NN)[C@@H]1[C@H]3C2	394359383	ALCPISYDTNFLJQ-UATFONFRSA-N	239.319	-0.280	50	10	BBGE	
N#Cc1c(CC(=O)CCl)cccc1B(O)O	396080858	YFKYZIARFUEMBM-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
Nc1c(B(O)O)c(C=O)cc2sccc12	396250079	GRRSCCITQCEYNS-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1cc(O)cc2sc(B(O)O)cc12	396383404	NTHBWQWVJFVPFR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCCO)C(C)(C)C	690124953	NMVUQAGPUNVCKT-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)n1ccnn1	699000526	AKMFQRBCWKDFOM-SECBINFHSA-N	217.232	-0.143	50	10	BBGE	
CC(C)(CN1CCN(C2CC2)C1=O)C(=O)NN	700727247	ZEIDVJRRCMJOMT-UHFFFAOYSA-N	240.307	-0.098	50	10	BBGE	
O=C(Cc1cn2ccsc2n1)NCB(O)O	702031284	WBLLFZACPLYEGZ-UHFFFAOYSA-N	239.065	-0.934	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCCC[C@@H]21	707277454	ASBAAYAIHZFRIT-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(n2cccn2)C1	707399720	OACAAUBFCQSXHC-SECBINFHSA-N	237.307	-0.102	50	10	BBGE	
COC[C@H](O[C@H](C)C1CC1)C(=O)NN	719081705	XSWLJPMLLGQHLQ-SVRRBLITSA-N	202.254	-0.194	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1=CS[N]C1	725711772	UYZWDUKAAGPPMM-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
NC(=O)NN=Cc1cn2cccnc2n1	757561160	KTMRCSNOVUNZFN-UHFFFAOYSA-N	204.193	-0.269	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C)nc(C)n1	757695088	DQIFNAQYRKYEFC-UHFFFAOYSA-N	208.221	-0.126	50	10	BBGE	
C[C@H](CO)[C@H]1CCCCN1CCC(=O)NN	829255029	WNAKYNXZNVYTBN-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)n1C	912677061	LTWQAGCPESHOPU-CNUIFLNQSA-N	249.274	-0.208	50	10	BBGE	
CO[C@H](C(=O)NNC(C)=O)[C@H]1CCOC1	1261661067	FGDRUOHFQKWRCE-YUMQZZPRSA-N	216.237	-0.795	50	10	BBGE	
CCOCCOCC(=O)NNC(C)=O	1321198546	ALVSHTUPZWECNR-UHFFFAOYSA-N	204.226	-0.793	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)n[nH]1	1329214571	HOSSZYQOFMGPCN-ZETCQYMHSA-N	223.041	-0.593	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cn(C)c(O)n1	1347386298	LKPPIFSOGYEOMU-UHFFFAOYSA-N	241.251	-0.522	50	10	BBGE	
CN(NC(=O)Cn1ncnn1)c1ccccn1	1557550048	AMFMHQVQMKASRD-UHFFFAOYSA-N	233.235	-0.764	50	10	BBGE	
O=C(NNC(=O)c1cscn1)c1cn[nH]c1	1588291250	TWDITNNUOVLYEL-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
COCCCN(C)CC(=O)NNC(=O)C(C)C	1615343078	PYGVVPIHBAEWEB-UHFFFAOYSA-N	245.323	-0.242	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Br	1883537520	IQJQCPBKTBZWIG-SRQIZXRXSA-N	247.092	-0.226	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@H]1Cl	1883639540	NBIUCVPYWOKFQR-CBQIKETKSA-N	200.669	-0.052	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@@H]1Cl	1883639543	NBIUCVPYWOKFQR-QQGCVABSSA-N	200.669	-0.052	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1884657816	KFSWTCCFOUHQMI-VXNVDRBHSA-N	201.270	-0.524	50	10	BBGE	
C#C[C@H](CCl)NCCN(C)S(C)(=O)=O	1884823933	USQJCCBEEZDXLT-MRVPVSSYSA-N	238.740	-0.292	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)NNC(N)=O	1886990756	RAQGOUXEMHOIRI-YFKPBYRVSA-N	201.226	-0.642	50	10	BBGE	
CC(C)OCCN1CC[C@@H](B(O)O)C1	1891560731	XKGINKIJTZFGBK-SECBINFHSA-N	201.075	-0.040	50	10	BBGE	
O=[S@](NCC=CB(O)O)C1CCCC1	1892923876	KTGZLMMGJIDBOG-AWEZNQCLSA-N	217.099	-0.250	50	10	BBGE	
O=C(CBr)NCC[C@@H](O)CCO	1893419764	RPOQXOIMHWVSSH-ZCFIWIBFSA-N	240.097	-0.369	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]2CC1=O	1893851881	IHBZPGYZXRZAPR-CSMHCCOUSA-N	211.265	-0.377	50	10	BBGE	
CCN(C)C1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1895040123	VGLPJZSHDLVYKV-WCBMZHEXSA-N	226.324	-0.752	50	10	BBGE	
CO[C@@H]1CC(C(=O)NNCCO)C[C@H]1OC	1895313357	BEOLEBFUFVRBQT-RKDXNWHRSA-N	232.280	-0.961	50	10	BBGE	
OB(O)c1cccnc1N(CCF)CCF	1901537742	SFZBHRTZOPWVEP-UHFFFAOYSA-N	230.023	-0.493	50	10	BBGE	
O=C1NCC[C@H]1CCN1CC[C@H](B(O)O)C1	1902533873	FFXDMAJCWIQBIN-IUCAKERBSA-N	226.085	-0.939	50	10	BBGE	
CC[C@](C)(CN(C)C1CC(O)C1)C(=O)NN	1902715594	IOXHAFLTGSZABZ-NWGYLPEXSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](N)[C@H](C)Oc1cc(B(O)O)c(F)cn1	1903023090	INISFGMFYQEMLJ-WDSKDSINSA-N	228.032	-0.985	50	10	BBGE	
C[C@@H]1C[C@H]1COCCn1cc(C(=O)NN)nn1	1910814131	QEVHNGUBROXVNW-SFYZADRCSA-N	239.279	-0.446	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)N1CC[C@H](O)C1	1914178259	ZFWNSKXMRRDPQZ-RQJHMYQMSA-N	242.728	-0.485	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CC(O)C1	1914601014	HOIRAEIYWIMSCB-KAVNDROISA-N	201.270	-0.790	50	10	BBGE	
C[C@@](O)(CN1CC=C(C#N)CC1)C(=O)O	1917109225	LTIKZEDVWREXKH-SNVBAGLBSA-N	210.233	-0.022	50	10	BBGE	
CCN(CCOCC(=O)NN)CCSC	1917281625	KLYYCNOEWFQBOE-UHFFFAOYSA-N	235.353	-0.322	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1[C@@H]2CCO[C@H]21	1923406704	NGTPVVHFOWJCIU-VPENINKCSA-N	238.165	-0.269	50	10	BBGE	
CN(C)NC(=O)[C@H](C(=N)NO)C1CCC1	1928409083	KXKMIKVOBQHIOE-ZETCQYMHSA-N	214.269	-0.048	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)NNCCO	1929834844	IZABPYDRPWHZAW-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
CN(CCOCC(=O)NN)OCC(F)(F)F	1937151392	ZEFWFTYKXRPWEK-UHFFFAOYSA-N	245.201	-0.581	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1937985239	RONVYLIGTIEMIZ-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCCC2=O)CC1	1938261496	ZOYUACAVAICSJW-UHFFFAOYSA-N	225.248	-0.704	50	10	BBGE	
COC1(CCl)CN(C(=O)Cn2ccnn2)C1	1940017801	FBUOIZYGRQWWBZ-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](C2CC2)[C@@H](O)C1	1943084180	XUAQXWAEMRBYCO-MNOVXSKESA-N	241.335	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CCC[C@H]2C1	1945658217	JSJMBBPDKSCIEI-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCC2)CC[C@@H]1CO	1946679206	UMPOKHJJUGCKIN-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@H](O)C#N)o1	1952957127	UAXXPBVWMIIEAH-XRGYYRRGSA-N	210.189	-0.050	50	10	BBGE	
Cn1nc([C@H](N)[C@@H](O)C#N)c2ccccc2c1=O	1953041785	QEJRSNASSLFREU-VHSXEESVSA-N	244.254	-0.182	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@H](N)[C@H](O)C#N	1953063907	NTVUGZIXEAFQBD-RNFRBKRXSA-N	224.220	-0.909	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1C[C@H]1CO	1954196467	NAKSNCIABLQUAI-RQJHMYQMSA-N	227.713	-0.227	50	10	BBGE	
O=C(CBr)[C@H]1Cn2cnnc2CN1	1954341993	SNFRDONWYCVYMQ-RXMQYKEDSA-N	245.080	-0.286	50	10	BBGE	
CCNC(=O)CN(C)C[C@H](O)CCl	1954820482	IRRAOWSIVWUPCK-SSDOTTSWSA-N	208.689	-0.346	50	10	BBGE	
O=C1[C@H]2CCO[C@H]2CN1C[C@H](O)CCl	1956922732	ISMTZVXECXSWQG-CSMHCCOUSA-N	219.668	-0.167	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1CC(=O)NN	1956957152	JVASNGGKGJJWBC-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)N1CCSSCC1	1957334999	ARIDPCOQUBEXTH-BQBZGAKWSA-N	236.362	-0.082	50	10	BBGE	
C[C@]1(C(F)F)CCN(C(=O)C(=O)NN)C1	1962282310	MUZXNUTWLMDHFR-QMMMGPOBSA-N	221.207	-0.520	50	10	BBGE	
NNC(=O)CCN1C[C@H](C(F)F)CC1=O	1962293994	QNTCUJOMGSASOJ-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1C[C@@H](O)CCN1	1974850900	BBCASPLEWMUVBD-PEBLOWIWSA-N	232.711	-0.015	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1976388457	ZHQQMBCMJMPSQH-DMAGGPPCSA-N	223.276	-0.521	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(CF)(OC)C1	1980378475	VGJCQVAIJXDLMP-QMMMGPOBSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@]2(O)C1	1980982011	MSGURJSQTDCOIQ-XPUUQOCRSA-N	235.234	-0.932	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CCO[C@H]2C1	1981243832	YTVPJVYWVIGTIR-LPEHRKFASA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1CCCN(c2ccncc2B(O)O)C1	1981426279	NDDSSSOEQPQDSY-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981542895	GOSRQJMTKPAGHG-WUQLENLQSA-N	227.308	-0.687	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cnsc1C(=O)NN	1981734079	JXKMGIITKYCFTK-RXMQYKEDSA-N	240.288	-0.133	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)CC1(O)CCC1	1985211786	BRBCYAIUZSTAHG-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](F)C1	1985769667	MFANIDWYOUPFJA-HXFLIBJXSA-N	233.262	-0.006	50	10	BBGE	
CCc1ccn(-c2ccc(B(O)O)cn2)n1	1986240909	FIHPYKBAQINWBJ-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCCCC(=O)NN	1987563221	VTSGAUMITQFFMV-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(CC(C)C)C1	1987879720	FYOGGFXVVQCTJK-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](F)[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1988694549	TXLFJIPBWGCHRZ-YUMQZZPRSA-N	229.255	-0.451	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCOC[C@@H](CO)C1	1991647165	AFEHPFWMGQEINF-MRVPVSSYSA-N	247.678	-0.225	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@@H]2C1	1992140813	MWBIHIDMLVQZLC-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1C[C@H]1COc1ncc(B(O)O)cc1F	1993081702	UYILOJYYTCOHGJ-BQBZGAKWSA-N	225.028	-0.065	50	10	BBGE	
O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1CC1CC(Cl)C1	1993227631	POAXODSGIBFUCZ-QAWYCMSJSA-N	249.694	-0.506	50	10	BBGE	
C=CCC(=O)NCc1ccc(B(O)O)cc1	1994689084	VGSLXSACZYHHFW-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ncoc1C	1997726751	KWJMAWNMMKWYRP-SECBINFHSA-N	242.279	-0.580	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]1c1ncon1	1997763853	BRDAFQNQPDHRPL-FXQIFTODSA-N	239.279	-0.169	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CO[C@H]1CCOC1	2003505663	FYFMSBNRKSWUJB-ZETCQYMHSA-N	240.263	-0.671	50	10	BBGE	
C[C@@H]1CCC[C@H]1N(C)c1ncncc1B(O)O	2004911463	HLYSJGONFOFRTE-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cncnc1N1CC2(CC(F)C2)C1	2004916220	JDCXFAUYEDJGAY-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CO[C@H]2C[C@@H]1C2	2011812033	DDAVQMBENFWJFD-AEJSXWLSSA-N	243.307	-0.898	50	10	BBGE	
Cn1cnc2c(C(=O)NCB(O)O)cccc21	2012301420	HYFLVCPEWVTKTP-UHFFFAOYSA-N	233.036	-0.685	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cnc(C)c(B(O)O)c1	2014595535	ZPHGDWJPSHJUSA-KCJUWKMLSA-N	237.064	-0.516	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@@H]2C[C@H]21	2026060582	MEORMUDGZQFMCR-NQMVMOMDSA-N	234.064	-0.276	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCc2nnccc2C1	2043020418	SUBLYUNBVDRPSA-LLVKDONJSA-N	249.318	-0.007	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)CC1(C)C	2052473403	SAGLVDVWXOIPSC-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1cccnc1N1CCOC[C@@H]1C1CC1	2052498647	HNIGSLDLGFHNRD-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@H]3C[C@@H]32)n1	2052624124	DALQKNKLQIOJRJ-UWVGGRQHSA-N	247.107	-0.238	50	10	BBGE	
Cc1nc(N(C)Cc2cnco2)ccc1B(O)O	2052626067	AMWGQHQNJJIGRR-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
COc1c(OC(F)F)ccc(C=O)c1B(O)O	2060325884	XPFAJSCKECTPLA-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
Cc1nc(OC[C@@H]2CC[C@@H]3C[C@H]23)ncc1B(O)O	2071008873	FILBOESRROFZNU-UTLUCORTSA-N	248.091	-0.110	50	10	BBGE	
COC[C@@H]1C[C@@H]1NC(=O)c1ccccc1B(O)O	2079008431	JMYHWRFVWAIQJW-KWQFWETISA-N	249.075	-0.869	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1	2079009792	UOBUMZSKSANVMR-LBPRGKRZSA-N	243.071	-0.492	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NNC(N)=S)O1	2209648156	VIWPFVIXZYODFB-RITPCOANSA-N	217.294	-0.192	50	10	BBGE	
OB(O)c1ccc(CN2CCOCCO2)s1	2211071880	GXHOALNRQHOWDT-UHFFFAOYSA-N	243.093	-0.808	50	10	BBGE	
OB(O)c1cnc(OC2C[C@@H]3C[C@H]3C2)nc1	2212293781	MHRGVYDXEKEHHI-BQBZGAKWSA-N	220.037	-0.666	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@H](C)C(=O)NN)C2	2212351853	WGZMPMYCFJXRHV-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
Cc1cc(C)n(-c2cc(B(O)O)ccn2)n1	2212595862	RLADYDOCEQDRLU-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C=C1COC[C@@H]1Nc1cc(B(O)O)ccn1	2212601298	MFFACEPNZISCRF-VIFPVBQESA-N	220.037	-0.872	50	10	BBGE	
CC[C@H](CNC)Oc1cc(B(O)O)ccn1	2212608010	FZQNRHQQFZLCEO-SECBINFHSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]2C2CC2)c1	2212613883	ZYEKRSFLRGRTOX-ZJUUUORDSA-N	218.065	-0.028	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)CCC12CC2	2214781680	YUJNLNYSTPOYAL-IVZWLZJFSA-N	241.335	-0.010	50	10	BBGE	
CN(C)CCCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2215770836	DVLGVXYDARPILX-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CCC[C@H](CN)Oc1cc(B(O)O)c(C)cn1	2217166056	DDGFHTXHFZHGJD-SECBINFHSA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c1	2217172248	INXQDPLLRXFUBJ-QPJWQJBDSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cn[nH]c1	2217179468	LAKMNIYBNGNUDN-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@H]3CC[C@H]23)c1F	2217181595	RXRBGHDDLPNTCW-BQBZGAKWSA-N	236.055	-0.032	50	10	BBGE	
CCCOCCCN=c1ccc(B(O)O)c[nH]1	2217182379	ABYIQYBWNMIGNE-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC[C@@H]2F)c1F	2217182580	FLHFIXGNWMBZOT-BQBZGAKWSA-N	244.006	-0.951	50	10	BBGE	
OB(O)c1ccnc(NCc2cnoc2)c1F	2217183147	GILCPLZAGFAHNH-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
CNC1(CNc2nccc(B(O)O)c2F)CC1	2217184942	SMBJOXHSGBWECF-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
CC(C)C[C@@H](O)CNc1cc(B(O)O)ccn1	2217196337	QUKUODMVNIUOPW-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1CNCC[C@H]1Nc1ccc(B(O)O)cn1	2217198921	IBVRXNJGWBNNLB-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncc(B(O)O)cn2)CO1	2217201484	PZIGTSCWVYKODZ-MRVPVSSYSA-N	237.068	-0.864	50	10	BBGE	
C=CCO[C@H](C)CNc1ncccc1B(O)O	2217203797	AIMIWSKWCCZAIM-SECBINFHSA-N	236.080	-0.236	50	10	BBGE	
CN(OCC(F)(F)F)c1cc(B(O)O)ccn1	2217204578	LWUPYYJNRVOCNS-UHFFFAOYSA-N	249.985	-0.309	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN[C@H]2C2CC2)c1	2223634217	HSRBOBMDJXBDLM-JQWIXIFHSA-N	247.107	-0.686	50	10	BBGE	
Cc1cnc(N2CCCC[C@H]2CN)cc1B(O)O	2223648753	PJXJUDSOCSPGNJ-JTQLQIEISA-N	249.123	-0.613	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)CC1	2223649552	ATLLEOQBKKQHBE-MNOVXSKESA-N	249.123	-0.167	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@]23CCOC3)[nH]c1	2223670764	CFPCDSQOFVJFEC-SKDRFNHKSA-N	248.091	-0.978	50	10	BBGE	
CCN1CC[C@H](CNc2ncccc2B(O)O)C1	2223671105	HPMKLGKXPCLILR-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
CCC1(NC(=O)c2coc(B(O)O)c2)CC1	2243347510	MWSIERVKSAVSIO-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1csc(B(O)O)c1	2243350168	WUXGDYAJDFGBBW-YFKPBYRVSA-N	247.031	-0.435	50	10	BBGE	
C#CC1CC(NC(=O)C2(B(O)O)CCC2)C1	2243365059	HMEFKOIQKHCTEP-UHFFFAOYSA-N	221.065	-0.089	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@]1(C)CCOC1	2243365815	SNVAFOOXYSKKFT-VIFPVBQESA-N	227.069	-0.369	50	10	BBGE	
CON(C)C(=O)c1cccc(B(O)O)c1Cl	2243367194	PFFSPMXPQCUMLC-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
O=C(NC1CCOCC1)C1CC(B(O)O)C1	2243391570	LZPGLRRFRVRKSB-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1CCS[C@@H]1CN(C)C(=O)C#CB(O)O	2243399772	QIYLUFBLKVJAMQ-DTWKUNHWSA-N	241.121	-0.398	50	10	BBGE	
O=C(Nc1nncs1)c1coc(B(O)O)c1	2243409261	DYNVBUWEFJUGLO-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C=CCN(C)C(=O)c1ccncc1B(O)O	2243409473	IOZCBKZBBHJSAM-UHFFFAOYSA-N	220.037	-0.981	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1nscc1B(O)O	2243409904	QVGNSTTXFXONIV-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
CON(C)C(=O)c1cc(C)cc(B(O)O)c1	2243410326	ZQYOUZYHKVEOKJ-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2243410370	AFZDLSSZBBIEGO-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
O=C(NC1CC(CO)C1)C1CC(B(O)O)C1	2243414277	XLJZJBBQVLPIJI-UHFFFAOYSA-N	227.069	-0.874	50	10	BBGE	
CC1(C#N)CN(C(=O)C2CC(B(O)O)C2)C1	2243414359	ZBTSHGLYWJCTPR-UHFFFAOYSA-N	222.053	-0.389	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)sn1)C(C)C	2243415033	MXXJXNQCTLOSIU-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
Cc1cc(C(=O)NC2CSC2)oc1B(O)O	2243415326	SASRYXCOJOAKGJ-UHFFFAOYSA-N	241.077	-0.887	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)NCCC#N	2243420247	PFPQBGRBZVFYEW-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
O=C(O)CCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2243753376	UEIVWHRLSJLNIG-RQJHMYQMSA-N	229.041	-0.780	50	10	BBGE	
C[C@@H](CC(=O)NCCC#CB(O)O)C(F)F	2244546729	POLFPNKQOVYIKR-ZETCQYMHSA-N	233.023	-0.201	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC1CCC1)OC	2245120854	GDBNPVXLABDAER-SECBINFHSA-N	231.296	-0.345	50	10	BBGE	
C[C@@H](CCNC(=O)C#CB(O)O)OC(F)F	2245416682	JSOBZWLBEUFKBP-LURJTMIESA-N	234.995	-0.864	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@H]1CCO1	2246211709	UBSWISSYSOVDCP-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)oc1C	2247721756	HMMJORZPXSKBIY-UHFFFAOYSA-N	241.052	-0.319	50	10	BBGE	
O=C(NCC1CC(F)C1)c1coc(B(O)O)c1	2247732178	CUAURVVGZMEOMP-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
CNCc1ccccc1NC(=O)C#CB(O)O	2247743459	DQJJERKSEJIVHB-UHFFFAOYSA-N	232.048	-0.640	50	10	BBGE	
O=C(NCc1ncccc1O)C1(B(O)O)CC1	2247755472	KABKUWYLCUBETD-UHFFFAOYSA-N	236.036	-0.590	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755923	LPVUNUIPFJIGCQ-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
CCc1ncc(CNC(=O)C2(B(O)O)CC2)[nH]1	2247756561	MZTPYSVRILNGAJ-UHFFFAOYSA-N	237.068	-0.405	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1ccnn1C	2247757659	RISLOANMENBWKQ-UHFFFAOYSA-N	237.068	-0.220	50	10	BBGE	
O=C(N[C@@]12CCCN(CC1)C2)C1(B(O)O)CC1	2247758008	TZJMEUBSVJYPRE-JTQLQIEISA-N	238.096	-0.652	50	10	BBGE	
CC1(C)[C@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247803417	BABLEBQNRLGXAT-DJLDLDEBSA-N	240.112	-0.565	50	10	BBGE	
CC(C)(O)C1CN(C(=O)C2CC(B(O)O)C2)C1	2247804079	FDMNPISOMRRGFD-UHFFFAOYSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247805246	JXXFRJWDYKVXHP-DOLQZWNJSA-N	240.112	-0.600	50	10	BBGE	
O=C(NN1CCCCC1)c1ccc(B(O)O)o1	2247849226	XGFPFBMDEWOTAF-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1ccoc1B(O)O	2247866069	FZQKGGTUCYUMIN-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C1(F)CC1	2247869644	WEDWTBVWJJFIMY-ZCFIWIBFSA-N	241.027	-0.420	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)cn1C	2247874272	KYZORYLKOFCJQW-MRVPVSSYSA-N	236.080	-0.743	50	10	BBGE	
C[C@H]1COCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247874985	RFZMDHITVBJWMF-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCC2)c1	2247875029	RLIBKQHSTITVQA-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
CCON(C)C(=O)c1ncc(C)cc1B(O)O	2247893416	RGOMNRXNLJEEMI-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
C[C@H]1CCOCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911764	YICKIDSNNRDXOM-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC=CB(O)O)C(F)(F)[C@@H]1CCOC1	2248441679	NKMOVUMHRMFADN-SSDOTTSWSA-N	249.022	-0.657	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C(=O)O)C1CC(B(O)O)C1	2248586556	CQZVBTKMSLCNLD-DWYQZRHDSA-N	241.052	-0.781	50	10	BBGE	
COC[C@@]1(C)C[C@H]1NC(=O)C1(B(O)O)CCC1	2248648190	UGGQGKKJYQCRLU-PSASIEDQSA-N	241.096	-0.075	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@H]2CN1C[C@H](C)C(=O)NN	2248683293	BZBJDGSIFFMXHW-UXCLJVHYSA-N	241.335	-0.031	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1cocc1B(O)O	2249426277	QIFXDIMGJKBBIH-ZETCQYMHSA-N	235.048	-0.511	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCCC#CB(O)O)CCO1	2250001774	BOEMZMAZPFAYLB-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1coc(B(O)O)c1	2255453811	SPKXQUVTZCACAW-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CC=CC[C@@H]21	2255674357	LSUXIASBUILBSA-IUCAKERBSA-N	247.059	-0.250	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1CC2(CC2)C1	2255677961	DKBCHNHCIJVISR-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ccccc1	2255687569	JKFHGCVBNZPZKF-AXFHLTTASA-N	248.091	-0.335	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncncc2B(O)O)[C@H]1C	2255691256	CJFVTHQHZHYOPZ-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ccccn1	2255692071	JVUARHHQKXZJCX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1C[C@@H]2C[C@@H]2C1	2255725506	NJJQYKHTGDSPSS-MBTKJCJQSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@]2(C)C[C@H]2C)n1	2255731216	BTAVDNMMKWIINL-KRTXAFLBSA-N	248.091	-0.402	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1occc1B(O)O	2255740948	IIKPDEVCOHOTTN-CSEVWPSDSA-N	247.059	-0.656	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ncc(B(O)O)cc1C	2257485818	BTOGVIAWGPUOOU-VIFPVBQESA-N	248.091	-0.284	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CC[C@H]2C1	2258124046	XCFPLSSZHXVIEK-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCn2cncc2C1	2258567445	BQMZXZUOOIVWIE-UHFFFAOYSA-N	249.079	-0.522	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2298369042	GVTFXOFSXAIMPS-RXKWGBCNSA-N	239.080	-0.467	50	10	BBGE	
CO[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2298376891	VJDCMDNDCCCSMA-UTLUCORTSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300201465	PMARXNZXAXPIGY-ZRUFSTJUSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](F)C2=O)O1	2301870944	HUROVVBQTGNRQN-CSMHCCOUSA-N	245.254	-0.906	50	10	BBGE	
COCCN1CCCN(CCC(=O)NN)C1=O	2307782685	KRSVEZRIDJJUMY-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
CC[C@@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2317167230	FNZZFAMQKKEAGI-LLVKDONJSA-N	247.107	-0.588	50	10	BBGE	
CC[C@H](Oc1ccc(B(O)O)cc1C#N)[C@@H](C)N	2317209759	VKXXMYPPMXLRHO-KCJUWKMLSA-N	248.091	-0.257	50	10	BBGE	
O=Cc1ccc(NC2CCNCC2)cc1B(O)O	2317311096	KRHFAUMICRUOEJ-UHFFFAOYSA-N	248.091	-0.657	50	10	BBGE	
NNC(=O)COCC(=O)NC1CCCCCC1	58845118	LVTJTSGMVBIKQU-UHFFFAOYSA-N	243.307	-0.168	50	10	BBGE	
CC(C)N1CCN(CC(=O)NN)CC1	82467856	HPXNDMVREFOBFF-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@@H](O)C1	82468680	MBSIWXRUZJIIGK-SSDOTTSWSA-N	225.248	-0.550	50	10	BBGE	
COC[C@H]1CCN(CC(C)(C)C(=O)NN)C1	86598049	DCESWEMBBLKQBY-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1CN(C)CCCN1[C@H](C)C(=O)NN	235678716	SNHDVRKSBOSFRM-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
OC/C=C/[C@@H](O)[C@@H](O)CBr	238633553	YTMORFNIWVQAMT-GONBATFASA-N	211.055	-0.348	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCCO1)C(=O)NN	251114105	PMQJIOWYJOGVFS-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@@H](C)[C@H](C)C(=O)NN	252606429	QNQHHVROZLRSTA-IUCAKERBSA-N	244.339	-0.589	50	10	BBGE	
CS(=O)(=O)C1=NC(C#N)=CS1(=O)=O	260220146	WVVOLYCRDIKNQJ-UHFFFAOYSA-N	220.231	-0.820	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@H]1O	300021400	UMGQFWOVUDVBKD-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCCl)C[C@@H]1O	307082437	PYFVARAXCKECBA-BQBZGAKWSA-N	227.713	-0.132	50	10	BBGE	
CCNNC(=O)[C@H](N)Cc1ccc(O)cc1	309214492	JKSYPPWIYSNLMX-SNVBAGLBSA-N	223.276	-0.097	50	10	BBGE	
COC(=O)/C(C#N)=C1/N[C@H](C(=O)OC)CS1	380470864	GXOBXZSOIRAYSN-ZHURGCMGSA-N	242.256	-0.227	50	10	BBGE	
CC(C)(CN1CCC[C@H](O)CC1)C(=O)NN	381998799	JDBAHZVZIGJVBD-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cc(OC(F)F)c2[nH]cnc2c1	396044355	XTBIBIHLQRGZOD-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
O=C(CCl)Cc1ccc(F)cc1B(O)O	396065612	AUXBRQODYOBIMF-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
Nc1c(B(O)O)cc(CO)c2ccsc12	396240317	CHDPVEAUGSVKSS-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1cc2ccsc2c(O)c1B(O)O	396373556	ALAKAYHWISADBH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1C[C@H](N(C)Cc2ccccc2B(O)O)CO1	401466265	MAWFPUUEXQILKA-JQWIXIFHSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC2(CCCC2)O1	691936920	MVBDOGGJKMGEAD-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
OB(O)c1ccn(C[C@H]2COc3ccccc32)n1	694230168	SWQDCKJPUGABBJ-VIFPVBQESA-N	244.059	-0.261	50	10	BBGE	
Cc1nn(CCc2cccnc2)c(C)c1B(O)O	694272822	XZZXADKNYPYCQL-UHFFFAOYSA-N	245.091	-0.183	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C[C@@H](C)O1	694922342	IFPZFYIHBLCUGL-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC2CCC1CC2	702017348	MDBILCRAZFBFLB-HACHORDNSA-N	211.070	-0.059	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706113907	HONZBJXHYCLLLZ-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	708285782	AHZBHLJHPPTEII-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1COC[C@H]1C	710915368	HPJJCRJGMMNOBM-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc(Cl)n1	723344638	JMGPROATEBBSCH-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)C#N)O1	862888737	YNDZSVIPUSTPRO-FXQIFTODSA-N	225.248	-0.139	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C	925345577	QYTNOLQRNZYFFY-HTQZYQBOSA-N	244.295	-0.009	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1CCNC(=O)CC1	1163282157	ZKYGRECWDSAZND-SECBINFHSA-N	243.307	-0.752	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNC(=O)c1ncccn1	1638291277	XNMMMKLDSKTWOD-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CN(C)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1877236003	LLQGDKWPSVRTCS-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
NC(=S)CS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883566232	HXKFPEJMCKPAEB-CRCLSJGQSA-N	242.753	-0.181	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@H]1NC(=O)Cl	1884250070	SFIHEWFUNMGNEF-UHNVWZDZSA-N	227.669	-0.253	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCCO)C1	1891517932	VCHJETZNIVZQSS-VIFPVBQESA-N	201.075	-0.302	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@H]2C[C@@H]21	1893409816	AWSVUJPAAFAGOZ-BQBZGAKWSA-N	214.652	-0.119	50	10	BBGE	
C[C@H](O)CNCCNC(=O)[C@H]1C[C@@H]1Cl	1893453922	RRDWDQSHTPNGKD-FXQIFTODSA-N	220.700	-0.300	50	10	BBGE	
O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@@H]1Cl	1893454316	VUJWCFBCIDXGNU-FXQIFTODSA-N	218.684	-0.282	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NCC1CC(Cl)C1	1893508959	HPLKXIZCWITQPO-CQRKAFIDSA-N	220.700	-0.172	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCO[C@@H]1CCOC1	1900890408	PGFZPIKCDJAFHW-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
C[C@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	1901254993	IKCBZLGYUUYUHO-CPCISQLKSA-N	219.049	-0.001	50	10	BBGE	
CN(NC(=O)C=CC(=O)O)S(=O)(=O)C1CC1	1901340988	NHOIIJBWAIYCKE-UHFFFAOYSA-N	248.260	-0.918	50	10	BBGE	
CC(C)=C(CN1CCCCS1(=O)=O)B(O)O	1901628207	WHKMQUNAVZDNIJ-UHFFFAOYSA-N	247.125	-0.240	50	10	BBGE	
C[C@@H](O)C1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908357899	KRKGXPAQAOWSHF-BBBLOLIVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@H]2CO)C1	1908364086	HKIDHDLRPLNGPI-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
O=C(CC1CC1)Nc1ncccc1B(O)O	1913615283	HWGYSOGUPPHTSB-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CC[S@@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1913890815	WXEYYFZPACBNDS-ARSJJCECSA-N	219.310	-0.270	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)C[C@H]1C#N	1914857146	KJXKGJMFJOIHII-BDAKNGLRSA-N	217.700	-0.274	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@@H]1CO	1927812584	MYKAJCMWQIFDLZ-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC(C)(C)O	1927914638	WNDKETPHIOHBGT-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
CS[C@H]1CCN(CCOCC(=O)NN)C1	1928178109	CDRDQSNZKIJGHW-QMMMGPOBSA-N	233.337	-0.570	50	10	BBGE	
O=C(CCl)N1C[C@]2(CO)CC[C@]2(CO)C1	1928225364	AFNLWBUXYYDGLH-AOOOYVTPSA-N	233.695	-0.181	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1928757090	AAXMKQLGPBKORR-RRKCRQDMSA-N	206.673	-0.595	50	10	BBGE	
CCOCCCOCCOCC(=O)NN	1929796549	WXYBHZHXMZPGTP-UHFFFAOYSA-N	220.269	-0.564	50	10	BBGE	
CN(C[C@@H]1CCCO1)CC(F)(F)C(=O)NN	1935944855	OXYZDNQVMOCINN-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CCn1nnnc1CN[C@@H]1CN(C)C[C@H]1Cl	1937191352	SWFBAXWHYMMQSG-HTQZYQBOSA-N	244.730	-0.296	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1CC1CC1	1939134578	BPQPUUCZZMICGH-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@H]2C1=O)C(=O)NN	1940079610	AIUVQSTUMYFFSG-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083572	NFQOSIDSNLGVMU-DVVUODLYSA-N	241.335	-0.152	50	10	BBGE	
CCN(CCOCCO)CC1(C(=O)NN)CC1	1945883574	BHLPJYGKNVFQCE-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
C[C@@H](Cl)C(=O)C[C@H]1CNCCS1(=O)=O	1955170559	KJNCSKAIJOQHND-RQJHMYQMSA-N	239.724	-0.041	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](N2CC(O)C2)C1	1958217449	JAOKDWJUPUTYPW-DTWKUNHWSA-N	229.711	-0.132	50	10	BBGE	
C[C@@H](CN1CC(C)(N(C)C)C1)C(=O)NN	1958750378	XSUOLABMOQBILD-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([S@](C)=O)C1	1961563752	LJCKFUKJPYYKHF-GLEZIHRCSA-N	233.337	-0.936	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1C[C@@H](O)CCN1	1974850899	BBCASPLEWMUVBD-ABIFROTESA-N	232.711	-0.015	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CCC[C@H](S(C)(=O)=O)C1	1976862624	LZCLRKIQWUZPCR-SFYZADRCSA-N	249.336	-0.143	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CCCC(=O)NN)C2	1978983108	ZJEKGYWBKTXQAA-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
Cc1ncnc(OCCC2CC2)c1B(O)O	1981424454	TVEOKZBWKQDDQH-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H]1CCN1C	1987092905	QBLVTKNITHRXGW-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](NC(=O)N(C)C)c1nscc1B(O)O	1987175964	RYYPCOXDLOXKIJ-RXMQYKEDSA-N	243.097	-0.845	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCC[C@@H]1CSC2	1993714199	SLEARMHPQMPCQF-XCBNKYQSSA-N	243.332	-0.374	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1CO	1994834983	WYKHQYQWYOVESA-OPRDCNLKSA-N	229.324	-0.437	50	10	BBGE	
COC[C@]12C[C@](CN(C)C(=O)NN)(CO1)C2	1994898136	KVOZLGMGQRGTFM-AOOOYVTPSA-N	229.280	-0.303	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOCC2(CC2)C1	2004238675	RINTYHBEZKPSSN-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1c1ccccn1	2004373928	WIJUEDYLIPFAJH-SECBINFHSA-N	234.259	-0.265	50	10	BBGE	
CO[C@H]1CCN(c2ncc(C)cc2B(O)O)C1	2005017843	KZRAWAFSQBQZBX-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C(C)(C)O)C1	2005913302	PZPGQHNHHLGGHF-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
Cc1cnc(Sc2ccc(B(O)O)cn2)n1C	2007858609	SGZXJPHYPNPROS-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CC[C@@H]3C[C@@H]23)nc1	2016497060	NTZLIGSRWWCSRO-KHQFGBGNSA-N	234.064	-0.419	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H]1CF	2016762187	FVEKHUFUVYDZAI-SVRRBLITSA-N	238.027	-0.695	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@@H](C)C(=O)NN	2017627888	OOPDZMNEHVYDIB-SECBINFHSA-N	237.307	-0.157	50	10	BBGE	
CC=C1CN(C(=O)c2ccccc2B(O)O)C1	2022196839	SMNUQRYKPAPYJK-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
CC(N)=C(C#N)C(=O)COC(=O)c1cnccn1	2040421859	YRLQZSAZXXPKQV-UHFFFAOYSA-N	246.226	-0.041	50	10	BBGE	
CC1C[C@@H]2CC[C@H](C1)N2c1ncc(B(O)O)cn1	2052471302	LYVWBIPMENAGOL-UQPYNNQESA-N	247.107	-0.076	50	10	BBGE	
Cc1cc(N2C[C@@H]3CC[C@H](C2)O3)ncc1B(O)O	2052471802	OKGDRFBJEIGJFF-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
Cc1nc(N2CCC3(CC2)CC3)ncc1B(O)O	2052554397	UJCBCXAVHVOTGG-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
COc1c(Cl)ccc(B(O)O)c1C#N	2060109767	BCYZOIGPBIZCQD-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
COc1cc(Cl)cc(B(O)O)c1C=O	2060133005	RGGJEQMCSZUYLG-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
O=C(NCC#CB(O)O)c1ncoc1C1CCC1	2077431950	IKTGNSNXSIKPFM-UHFFFAOYSA-N	248.047	-0.313	50	10	BBGE	
OB(O)c1ccccc1COCC1[C@@H]2COC[C@@H]12	2080346910	ONPHQHMCKWITKW-RYUDHWBXSA-N	248.087	-0.225	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@@H]1C	2211385305	QXEGIWXROBIFCC-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
COCc1nc(=N[C@H]2COC[C@H]2Cl)n(C)[nH]1	2211634613	WRDBZWIKFOLXLR-RQJHMYQMSA-N	246.698	-0.199	50	10	BBGE	
N#C[C@@H]1CCN(CC2(C(=O)NN)CCC2)C1	2212267619	WTBNBQOWIOFAPZ-VIFPVBQESA-N	222.292	-0.008	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2212604730	RUNUXCOHKGXQJF-SFYZADRCSA-N	224.069	-0.403	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN(C)c1ncncc1B(O)O	2215322568	WLRKTYDZKAHMGK-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CCC2)[C@H]1CO	2216495338	NGMUARBRTHRQMO-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2216570105	SLGYUCLNCBRPDE-BRPSZJMVSA-N	234.064	-0.358	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1nccc(B(O)O)c1F)C2	2217185041	SZRKCFSRUZYGLW-RDDDGLTNSA-N	236.055	-0.253	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCOC1	2217194494	ADBNQPSZMQCJNI-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCCO1	2217201931	GMSQGBKJZRUMDQ-VIFPVBQESA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3OCC[C@@H]23)nc1	2217202062	UOJBPJCWASFCLV-IVZWLZJFSA-N	234.064	-0.649	50	10	BBGE	
OC[C@H](Nc1ncccc1B(O)O)C(F)(F)F	2217203345	SXCTUVQZSJIYGL-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@H](F)C2)[nH]c1	2217204067	DVOVEVDGKRSFFS-SCZZXKLOSA-N	238.071	-0.267	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCCN1	2220062031	FKDGGCNQLRFJMR-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1Cc1cccc(B(O)O)c1	2220063484	LUEMIALXGUOKFN-GXFFZTMASA-N	249.119	-0.288	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2223628583	QYCDRTUMAYEKKB-JGZJWPJOSA-N	249.123	-0.487	50	10	BBGE	
CC1(C)CC[C@@H](CNc2ccc(B(O)O)cn2)N1	2223644122	FCGWEPJAOZFUOU-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
Cc1ocnc1CCN=c1ccc(B(O)O)c[nH]1	2223644351	IBZGEHUQLYISFL-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCO[C@@H]2C2CC2)nc1	2223646852	QDNKYMANWICOFQ-VHSXEESVSA-N	249.079	-0.864	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2223651475	XETZWSPJQUNJHW-SCVCMEIPSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@@H]3CC[C@@H]32)c1	2223664502	WGLAFDWNJRCIGK-HBNTYKKESA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@H](O)[C@H]1CC2	2223668095	UZYVQFUQWHQBOA-IEBDPFPHSA-N	248.091	-0.747	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1Nc1cc(B(O)O)ccn1	2223675862	UFANJQDZINGBPL-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
C[C@H](O)[C@H](C)NS(=O)(=O)N1CC(Cl)C1	2241331564	LQXBUFWRPJGZGO-WDSKDSINSA-N	242.728	-0.487	50	10	BBGE	
CC[C@H](O)CNS(=O)(=O)N1CC(Cl)C1	2241354377	XDUYTKMAECSOIC-ZETCQYMHSA-N	242.728	-0.485	50	10	BBGE	
COC(C)(C)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243365297	KSLBPUFJNJPUSF-SSDOTTSWSA-N	229.085	-0.077	50	10	BBGE	
CCCN(OC)C(=O)c1sccc1B(O)O	2243375797	YRTFGXHEWDAAJH-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
CNCCCCN(C)C(=O)C1(B(O)O)CC1	2243397981	MDZOVZKRFOIQHF-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
N[C@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2243410259	YDXKSOZDLARJOU-ZKCHVHJHSA-N	226.085	-0.763	50	10	BBGE	
COC[C@@H](C)[C@H](C)NC(=O)C1(B(O)O)CC1	2243411326	RJVMLLWBEZAKIG-SFYZADRCSA-N	229.085	-0.219	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@H]21)B(O)O	2243433638	OJDHBHTYYRPAOL-IWSPIJDZSA-N	245.109	-0.728	50	10	BBGE	
C#CCCN(CC)S(=O)(=O)CC(=C)B(O)O	2243433716	PFBZNCVDHZURBZ-UHFFFAOYSA-N	245.109	-0.770	50	10	BBGE	
CP(C)(=O)C1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2244276250	ARVHMRPMYVUWTE-VXNVDRBHSA-N	245.263	-0.081	50	10	BBGE	
CC(C)OCCC(=O)NCCC#CB(O)O	2244547245	XOZWAAGMASVNJD-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
Cc1cnn(-c2cc(B(O)O)c(Cl)cn2)c1	2245908422	QRRAOXRPWJKPHO-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CO[C@@H](CCl)CNC(=O)c1c[nH]c(=O)cn1	2245980474	KPNBKBZMHWCUMK-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CCC1	2247734981	XEBUMOGXSZQNFI-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2247740054	FNEBGCANZAJNOM-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1F	2247752088	IGXFAEALMFZATR-QUBYGPBYSA-N	237.039	-0.356	50	10	BBGE	
COC[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247757159	OUDAWDRXYYYERD-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806010	CPXPRJCGBDWXJP-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]1c1ccccc1	2247849061	UQZYMDJISVTRMV-GHMZBOCLSA-N	229.044	-0.326	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1cc(B(O)O)c[nH]1	2247850715	RWDWPOOLBPLDLM-SFYZADRCSA-N	236.080	-0.435	50	10	BBGE	
CCN(CC)CCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247860352	VSKTVRZRIGMBPR-ZJUUUORDSA-N	242.128	-0.351	50	10	BBGE	
C=C=CCCNC(=O)c1ccncc1B(O)O	2247873047	CSNWSEYHSWJLFH-UHFFFAOYSA-N	232.048	-0.778	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2247877367	GYMLARXIIWEPGL-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1C	2247878450	JWORQVRHXQQMOB-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247910267	OAMPFCQIFNFHJD-ZOZBQHSOSA-N	238.096	-0.894	50	10	BBGE	
CC(C)(F)[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248578917	OWDYINFLFWOJEC-RXMQYKEDSA-N	247.031	-0.689	50	10	BBGE	
O=C(O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248586693	FXABQQZTFGWYDL-BWZBUEFSSA-N	241.052	-0.828	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@@H](C)CF	2249300885	CVBSAGZYDPKKSR-LURJTMIESA-N	243.043	-0.302	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(F)(F)C[C@@H]1CO	2250242487	UCIHYZBMCDOANS-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
CN(CC[C@H]1CCO1)c1ccc(B(O)O)cn1	2253128529	CLWJZEQVHRVRPB-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
NCCCN(C(=O)C#CB(O)O)c1ccccc1	2255475337	XLOZZXDHLSHQIJ-UHFFFAOYSA-N	246.075	-0.616	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(F)cc1B(O)O	2255497465	BNHFAVDFDTVDTN-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1cc(B(O)O)cn1C	2255508392	MGNHJILEPCJWMP-SNVBAGLBSA-N	248.091	-0.505	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC=CCN1	2255509043	GUSBKFOBQSCNHH-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ncccc1B(O)O	2255516607	NWYPDOHREMUDRS-KHQFGBGNSA-N	246.075	-0.710	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1ccncc1	2255673033	NPYCJNJUGWZBDW-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2occc2B(O)O)C1	2255737932	LGQKKEJYCHALJJ-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
C[C@@]1(O)CCCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165899	FFQQMFVPOBRDFR-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H](C2)[C@@H]1CO	2298369339	RGFNPQDTCSJQCQ-KGDYZURWSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1CNC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375532	NPDDEKGJGMBEGC-QEYWKRMJSA-N	240.112	-0.789	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	2299331339	JYGDPDBWOIFCND-LNFKQOIKSA-N	239.319	-0.376	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2C[C@]1(CO)C2	2299946277	SXPBDZXPAJETQB-QFOLPQNPSA-N	241.335	-0.152	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)C1CC(O)C1	2300385697	XFFXDXQALNKUED-SFXRXQKFSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@H]1N	2301365438	RFMXYUBDNUTWSC-KOLCDFICSA-N	232.048	-0.893	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(C)cc1B(O)O	2301604992	INQWLIPFHFZRIY-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2302059079	LCYCJQBRDXKJLP-IVZWLZJFSA-N	247.314	-0.060	50	10	BBGE	
CN(C)CCCC(=O)N1CC[C@](C)(B(O)O)C1	2303112550	SWTJEYNWVUHLDL-NSHDSACASA-N	242.128	-0.206	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2CC(C#N)C2)C1	2303149353	BDUBGXHPVUPIIV-SNVBAGLBSA-N	237.068	-0.499	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303836658	PCTDKBCGAAAVFB-MYINAIGISA-N	240.043	-0.918	50	10	BBGE	
Cc1cnccc1C[C@H](C)NC(=O)C#CB(O)O	2318216015	ABMBQHFXORGFBW-JTQLQIEISA-N	246.075	-0.547	50	10	BBGE	
CCCNC(=O)C(C#N)=CNC[C@@H](C)O	2324221170	SLBYYXVOHUMBBI-MRVPVSSYSA-N	211.265	-0.110	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC(=O)N1CCOCC1	41698458	LSSRTNFLZGFXSJ-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
NNC(=O)CCN1CCCSCC1	82471195	DKDIKEMXHJVTPN-UHFFFAOYSA-N	203.311	-0.195	50	10	BBGE	
NNC(=O)CCCCCn1ncccc1=O	82719886	VVWHEZBSQKMATJ-UHFFFAOYSA-N	224.264	-0.206	50	10	BBGE	
CN1CCO[C@@H](CNC(=O)NC(=O)CCl)C1	85791320	GZQDXHFXNISQGV-ZETCQYMHSA-N	249.698	-0.618	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)CCC2=O)nc1	94764104	MHQFJYJVDJQXJZ-UHFFFAOYSA-N	248.242	-0.666	50	10	BBGE	
CCCNC(=O)[C@@H]1COCCN1C(=O)CCl	130235931	KVSOXBSRBHJJKR-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
Nc1nc2c(ncn2/C=C\C=O)c(=O)[nH]1	167885589	ARPDFSNFKGGTRD-UPHRSURJSA-N	205.177	-0.629	50	10	BBGE	
CC(C)c1cn(S(C)(=O)=O)cc1B(O)O	206163718	XDNUTVNMHIJICX-UHFFFAOYSA-N	231.082	-0.901	50	10	BBGE	
N#C[C@H]1CN(C[C@@H](O)CBr)CCO1	225641795	NYEALPHRDAUPQU-YUMQZZPRSA-N	249.108	-0.033	50	10	BBGE	
COC[C@H](C)OC[C@@H]1CC[C@@H](C(=O)NN)O1	226383255	XTIWTFLPUBBWIZ-CIUDSAMLSA-N	232.280	-0.425	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](C)C1	232420456	VVYHMILSAPUZHO-HRDYMLBCSA-N	215.297	-0.421	50	10	BBGE	
COCCC(=O)NNC(=O)CCCl	238329413	OJJPRCHYHJXVGQ-UHFFFAOYSA-N	208.645	-0.201	50	10	BBGE	
NNC(=O)Cc1csc(-n2cccn2)n1	238660339	NXBGFZOWCDQLGU-UHFFFAOYSA-N	223.261	-0.139	50	10	BBGE	
CCNC(=O)CN(C)[C@H](C)[C@H](C)C(=O)NN	252605425	PPOMEDNGUNVUMP-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@H](C)C1	300837870	GGQSXFSFORTFEU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	309148746	DGFNZTXXMVJOBJ-WDEREUQCSA-N	223.081	-0.617	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)CC1CNC1	309483045	FGSPBESGSRMXGX-SVRRBLITSA-N	211.265	-0.601	50	10	BBGE	
Cl[C@H]1COC[C@@H]1Nc1cncc2nnnn12	323162776	JOGCVWDHWUGVST-WDSKDSINSA-N	240.654	-0.063	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(OC)C1	382577147	BDZOPRBOPYTUPL-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CCCC1(O)CN([C@H](CC)C(=O)NN)C1	384123888	JWNPGNZFCSVKJD-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CCC(=O)NN	385871050	JHGKDIHDQVUXPU-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](O)[C@H]1C	395106413	PWHGENLHFZGVNM-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CC[C@@H](COc1cncc(B(O)O)c1)OC	396974509	IXGNZJMSSJMUPQ-VIFPVBQESA-N	225.053	-0.435	50	10	BBGE	
COCCCCN(C)C[C@@H](C)C(=O)NN	397142290	YMOZNDVZKAXWNF-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN([C@H](C)[C@@H](C)C(=O)NN)C1	398815829	MDORLQPSEKOIEK-DBIOUOCHSA-N	243.351	-0.049	50	10	BBGE	
CC(C)(C)C(=O)Nc1ncc(B(O)O)s1	404952920	UCPBCCRZHUUVEC-UHFFFAOYSA-N	228.082	-0.193	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)[C@H]1C[C@H]1C	404996202	GTTDXNGGYXHHFP-APPZFPTMSA-N	249.075	-0.031	50	10	BBGE	
C[C@@H](C(=O)Nc1cc(B(O)O)ccn1)C1CC1	405004480	NYGZNZOXLWJING-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccoc1	405035042	RATPNYBHVIYBAP-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
O=C(CCCl)N1CCN2C[C@@H](O)C[C@@H]2C1	405722833	UURUSDHVNYKBGB-BDAKNGLRSA-N	232.711	-0.107	50	10	BBGE	
O=C(N[C@H]1CCCOC1)c1cccc(B(O)O)c1	584980840	MKMSGYAYAFYZOD-NSHDSACASA-N	249.075	-0.725	50	10	BBGE	
O=C(CCCCl)N[C@@H]1C(=O)OC[C@H]1O	675080523	SJTISAITPCCMFU-VDTYLAMSSA-N	221.640	-0.592	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	688028029	WNTASIMXGDVFBY-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1ccc(-c2ncncn2)cc1	689639661	FIZHOTGRHSAZBZ-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
Cc1nn(C[C@@H]2CC[C@@H](C)O2)c(C)c1B(O)O	694268298	HRPBPAFASRGQPZ-XCBNKYQSSA-N	238.096	-0.253	50	10	BBGE	
CC(C)[C@@H]1CCCN(C(=O)C(=O)NN)C1	694436121	UVFPNZFNRMPVAO-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
OB(O)c1cnn(Cc2c(F)cccc2F)c1	694506311	AFLQKPJRFJKTIQ-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
C[C@H](Cn1ccnc1[N+](=O)[O-])C(=O)NN	702729667	KRVUJTOPGXSYIJ-RXMQYKEDSA-N	213.197	-0.583	50	10	BBGE	
COCC1(N(C)[C@H](C)C(=O)NN)CC1	707147835	PQWDUIQFYUFKEN-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710473947	ATJLQATZZODGCB-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(N)=O)N(C)S(=O)(=O)CCCCl	711063428	ZSCZWUDEFXNHLG-ZCFIWIBFSA-N	242.728	-0.249	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)C1=NCN=C1	725663757	LOHVGEKKGXGXNT-IYSWYEEDSA-N	215.640	-0.408	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCC(=O)N1	862503238	NSIGGRTXOSWQDV-VIFPVBQESA-N	234.259	-0.466	50	10	BBGE	
CCc1[nH]nc(Cl)c1C=NNC(=O)C(N)=O	863065730	GNLXXBKSHMPWER-UHFFFAOYSA-N	243.654	-0.439	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)CC1CC1	908447873	IZNOHGJDUGGXGX-SGJFDWMWSA-N	212.249	-0.129	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)[C@@H]1C[C@@H]1C#N	1152967237	BQFQZOZXXGSRMR-RNFRBKRXSA-N	248.329	-0.045	50	10	BBGE	
C#CCCCNC(=O)NNC(=O)c1ncccn1	1682317364	NPSGWNNQROSSBE-UHFFFAOYSA-N	247.258	-0.166	50	10	BBGE	
O=C(NC[C@@H](O)CO)[C@@H]1C[C@H]1Br	1877337034	SLUIBFJRBJYPPR-HSUXUTPPSA-N	238.081	-0.761	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)C[C@H]1CO	1877820468	DFLQWSSXASBBOX-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)OCCl	1884984645	OTKQMICEPSXOJF-WHFBIAKZSA-N	243.668	-0.933	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](NCC2COC2)C1	1885008777	DPPIAAFGPCLUML-HTQZYQBOSA-N	239.724	-0.373	50	10	BBGE	
COC1(CN)CC(C(=O)NN(C)C)C1	1885261593	DPZHLCNZQNENBC-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CCCl)C(=O)NC[C@H](O)C(N)=O	1885937515	HPYYZSBPTYNNEG-RITPCOANSA-N	222.672	-0.786	50	10	BBGE	
O=C1CN(CCCl)C[C@@H]2COCCN12	1886676180	CIENDCRSMNAENI-MRVPVSSYSA-N	218.684	-0.232	50	10	BBGE	
CS(=O)(=O)[C@@H](C(=O)N=C=O)C1CC1	1886835205	ZYNIISGDOANEJH-ZCFIWIBFSA-N	203.219	-0.328	50	10	BBGE	
C[C@@H](CO[C@H]1CCN(C)C1)C(=O)NN	1888720776	GCEFLJWWXHEPAC-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
Nc1[nH]nnc1C(=O)NC[C@H]1C[C@@H]1Cl	1893088914	PIIQWAQZUPTLNC-DMTCNVIQSA-N	215.644	-0.256	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@@H]1Cl)N1CC(O)C1	1893127833	KKHKCSLGKOMXNE-VDTYLAMSSA-N	240.712	-0.875	50	10	BBGE	
O=C(NCC[C@@H](O)C(=O)O)[C@@H]1C[C@@H]1Cl	1893475449	UJYHVIVOSUORKX-NGJCXOISSA-N	221.640	-0.435	50	10	BBGE	
CCON(CC)C[C@@H]1CC[C@H](C(=O)NN)O1	1896176768	WMZZSSLMLWDIMD-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C)CC(=O)NN)C1=O	1896918772	UQYZJSALGLSOHT-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC[C@H](C)O	1899922684	IFEYWMZYNAGPIV-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1CCCC(=O)NN	1900249575	ACVSKIHKKKGFJC-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C=C(COCc1nnn2c1CCC2)B(O)O	1901061050	OCIBRSBVBMNJSN-UHFFFAOYSA-N	223.041	-0.691	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1nc(B(O)O)cs1	1902658111	IMNSEENUGRTDBQ-RQJHMYQMSA-N	243.093	-0.626	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)C2(CCC2)C1	1906342073	ZMJYHHXKQIFJBX-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CC(F)(F)C(=O)NN	1914257449	SUMVDDQIELYGBN-NTSWFWBYSA-N	223.223	-0.933	50	10	BBGE	
CCCN(CC1(C(=O)NN)CC1)C1COC1	1915664222	MSXDRNBCWANFCW-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCC[C@H]2O)C1)C(=O)NN	1918421858	VATWWZSTGYGNIM-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C[C@H](O)C[C@H]2C1	1927859103	AHSCPHSTFDZGKE-HRDYMLBCSA-N	232.711	-0.109	50	10	BBGE	
C[C@H](C(=O)NNCCO)[C@@H]1CCCCO1	1929835892	ZJHFKRCKBKECRC-IUCAKERBSA-N	216.281	-0.195	50	10	BBGE	
COC(=O)C(C#N)=C[C@H]1CNCCOC1	1934034743	JZVLEHMEUYNXMF-QMMMGPOBSA-N	210.233	-0.155	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@H](CO)C2	1935287009	SVAWLSOXSJXUSI-CIUDSAMLSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@@H]2C1=O	1935428981	XWLNKCWRNIGENR-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
CN(C)[C@H]1CN(CCn2cnnn2)C[C@@H]1Cl	1936883066	RJDXNXAZNQNSOW-IUCAKERBSA-N	244.730	-0.474	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942114760	CZPAWGKYOLEIKY-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@@]2(CO)C1	1942487062	MRJPOTGLDLCVBS-JQWIXIFHSA-N	241.335	-0.149	50	10	BBGE	
CN(C)Cc1ccc(C(=O)NNCCO)cc1	1944208949	DZVJMCAEIQDJPG-UHFFFAOYSA-N	237.303	-0.025	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCNC(=O)C(C)(C)C1	1945228879	ATHXOUKKOJVCKF-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CCN(C)[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1948376275	WZDZHLZKLFWPBP-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
OCC1(O)CN(CCOCCCl)C1	1954056289	LXTSPNPECSGSII-UHFFFAOYSA-N	209.673	-0.719	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)C[C@@H](O)C1	1955652492	SJMOLUSRAZPWDY-OCAPTIKFSA-N	221.684	-0.041	50	10	BBGE	
CCCOC1CCN(CC(=O)NN)CC1	1958310194	UQXFYGRWWDRJJQ-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC(=O)NN)CCN1C	1961290163	FXEJPIDDKBWVPY-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CO[C@H](C)Oc1ccc(F)c(B(O)O)c1	1961747579	JBWOWAWAIPDWGB-LURJTMIESA-N	214.001	-0.123	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961922301	SLHDSYSKXRAEMB-ZOZBQHSOSA-N	230.695	-0.067	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(C)CCOCC1	1962437644	XQUONJLENYKMOG-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)COCCSc1ncncc1N	1975753805	WNJMTMASBONGTQ-UHFFFAOYSA-N	243.292	-0.843	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1976821438	XLILFTRJIGXNLI-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	1976994244	HIIFTRQJNRWECT-VDTYLAMSSA-N	229.041	-0.925	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC=C[C@@H](O)C1	1978919927	OPAPEOOZTARDPV-RKDXNWHRSA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2OCCC[C@@H]2C1	1980815044	ADTMLMWNRJPXBQ-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CCC1(F)CN(c2ccncc2B(O)O)C1	1981408511	BKIHTXGPQAGQHR-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CON(c1nc(C)ncc1B(O)O)C(C)C	1981471055	GJONBXBQBGGNJN-UHFFFAOYSA-N	225.057	-0.759	50	10	BBGE	
COC[C@H](CF)N=c1[nH]c(CCl)nc(=N)[nH]1	1981691475	YLIWMNYRWLXOTN-YFKPBYRVSA-N	249.677	-0.159	50	10	BBGE	
COC[C@H]1C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1982141066	YSLGUJUZVHEYEU-XGEHTFHBSA-N	225.244	-0.062	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982264328	GQPKRABFIOINND-AATLWQCWSA-N	227.308	-0.421	50	10	BBGE	
C=CCCCCn1cc(B(O)O)ccc1=O	1984517140	RICZLIPJDHMRIY-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
C[C@H]1OC2(CN3CC(=O)OC(=O)C3)CC1C2	1989831925	CNXQBEMCFFUXGH-OBEAGUGNSA-N	225.244	-0.061	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)CCC(=O)NN	1990041545	STTVTGIUDULLED-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCO[C@@H]1CCNC1	1991650316	MOZYWGXMFMPPNX-MRVPVSSYSA-N	246.694	-0.197	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1NC(=O)C=CC(=O)Cl	1991661544	BXBOVCYPIWELRL-YUMQZZPRSA-N	246.694	-0.247	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@]1(CO)CCCNC1	1991715552	VYTACHNWWKIPTA-VMZHVLLKSA-N	246.694	-0.461	50	10	BBGE	
CCn1nnc(CN[C@@H](CCl)CN(C)C)n1	1992009284	QKBUJNSYWCIWFS-QMMMGPOBSA-N	246.746	-0.048	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCC#CB(O)O)CCS1	1992134645	MRCSPULPJRKASZ-RKDXNWHRSA-N	241.121	-0.350	50	10	BBGE	
C=C(CN(C)C[C@H]1OCCO[C@H]1C)B(O)O	1992160542	XUMQVEOTIKOTCR-VHSXEESVSA-N	229.085	-0.710	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(F)(F)C[C@@H]1CO	1996894986	UCIHYZBMCDOANS-BWZBUEFSSA-N	249.261	-0.686	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CC[C@@H](O)CC1	1997611264	CEEOZHHFDYYUJG-AOOOYVTPSA-N	243.307	-0.611	50	10	BBGE	
NNC(=O)CCCN1C[C@]2(CCOC2)CC1=O	2003930585	LGUANMTVRIMXNW-NSHDSACASA-N	241.291	-0.605	50	10	BBGE	
C[C@H]1COCCN(c2ccc(B(O)O)cn2)C1	2004916020	GTUXVCSRKGRTCU-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
Cc1ccnc(N(C)[C@@H]2CCOC2)c1B(O)O	2004918257	JKTAORQBRGVZFZ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CCCN(c1ncccc1B(O)O)C1COC1	2004931112	ZMIPLRLUJWWFDT-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CCOC1(CO)CN([C@@H](C(=O)NN)C(C)C)C1	2005154307	WJDDMJWOSDKEEK-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
Cc1nc(N2CC(C)(CF)C2)ncc1B(O)O	2008690680	VCOBWXKUQONFTA-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CO[C@H]2C[C@@H]1C2	2011812036	DDAVQMBENFWJFD-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
CCOC12CC(C1)N(CC(F)(F)C(=O)NN)C2	2013072334	UQCNYISWZTUENF-UHFFFAOYSA-N	249.261	-0.135	50	10	BBGE	
CC[C@H](OC[C@H]1OCCOC1(C)C)C(=O)NN	2013876458	BHYZQTNAULVPAM-DTWKUNHWSA-N	246.307	-0.035	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1ccc(F)c(B(O)O)c1	2014594303	NQEUMEDUCXYYNJ-RDDDGLTNSA-N	240.039	-0.081	50	10	BBGE	
CC(C)N1CCN(C2CN(C(=O)NN)C2)CC1	2017984595	FDUWLJGZZOJCGB-UHFFFAOYSA-N	241.339	-0.720	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C[C@H]1C[C@@H]1C(=O)NN	2020204759	ANURZUFWMHIUJA-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCC#CB(O)O)C[C@@H](C)O1	2021158917	KJDDMZQJTKXHHN-MYJAWHEDSA-N	239.080	-0.678	50	10	BBGE	
NNC(=O)C(=O)N1CCC(C2(O)CCC2)CC1	2025073254	GQWOQZVTDWTWHY-UHFFFAOYSA-N	241.291	-0.870	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC=CCO1	2034281390	MMUDRAAHRQPVKO-NSHDSACASA-N	247.059	-0.350	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2CC2CCC2)nc1	2052466195	HEVKZXNAGKQUIY-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
C[C@H]1CCC2(CC2)N(c2ncc(B(O)O)cn2)C1	2052469886	WPKYIVNVMNNMLZ-VIFPVBQESA-N	247.107	-0.075	50	10	BBGE	
CCOc1c(B(O)O)cc(OC)cc1[N+](=O)[O-]	2060017974	JEIAIKCALACQGT-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
O=Cc1c(F)ccc(Cl)c1B(O)O	2060110413	QWTCKPCTBWZHCT-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1cc(C#N)cc([N+](=O)[O-])c1B(O)O	2060289625	BVRYHHGVPZAEMB-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3CCO[C@@H]3C2)nc1	2065202842	MEUOFBOCLVPYHK-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
CCOC12CC(C1)N(c1ncccc1B(O)O)C2	2065710376	XBLBPXWSCVTCQE-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@@H]3C2)ncc1B(O)O	2068130375	XGHPGDZDMOZAPK-VHSXEESVSA-N	247.107	-0.299	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071241078	NTXVKKVGXFVPGO-SHUZRBGRSA-N	245.087	-0.570	50	10	BBGE	
Cc1ccnc(N2C[C@H]3COCC[C@H]32)c1B(O)O	2073044042	UDJVITOGXMLRPI-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COCC[C@@H]32)cc1	2073062632	XYKYNSHRKFEJSP-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1ccn(Cc2cc3ccccn3n2)n1	2078772565	QTCGMLGOXLOJNR-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1Cc2ncnc(O)c2C1	2085233914	AUOGIORNAOXDSQ-RQJHMYQMSA-N	249.274	-0.876	50	10	BBGE	
CCSCCCN=c1ncc(B(O)O)c[nH]1	2212602380	CLUZDPOHLMNCFS-UHFFFAOYSA-N	241.125	-0.867	50	10	BBGE	
CCN(C)CCNc1cc(B(O)O)ccn1	2212610637	MHWQTYFXYVWYPR-UHFFFAOYSA-N	223.085	-0.875	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)c1cccn(C)c1=O	2213164759	GERZSZSXEWYAPE-QMMMGPOBSA-N	238.291	-0.410	50	10	BBGE	
Cc1nc(OC[C@@]2(F)C[C@H]2C)ncc1B(O)O	2214487431	ANQLBRCTNFDATG-LDWIPMOCSA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)C1(CN2CCC=C[C@H]2CO)CCC1	2216533387	AMMVVWBCCPVSTR-JTQLQIEISA-N	239.319	-0.231	50	10	BBGE	
CC[C@H](O)CN(CC)c1cc(B(O)O)ccn1	2217171680	DHNKHVKMOVAALW-JTQLQIEISA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@@H]3C2)c1	2217173698	SYJIZOVXXOCIID-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNc1cc(B(O)O)ccn1	2217177093	FIZCLVKUWCUNPF-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
CC(C)C[C@@H](CO)Nc1ccc(B(O)O)cn1	2217177335	HXDLCXAJMOCSHY-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CON(CC(C)C)c1nccc(B(O)O)c1F	2217181161	NOUQXUDJDSDSAP-UHFFFAOYSA-N	242.059	-0.076	50	10	BBGE	
C[C@@H](O)CCN(C)c1nccc(B(O)O)c1F	2217181176	NSPSIKPGRUACRQ-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cn2)CCCNC1	2217198804	GOLAGFLKBBTFPS-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
C[C@@]12CNC[C@@]1(COc1ncccc1B(O)O)C2	2223627490	QYOSLMKGIUEIJH-VXGBXAGGSA-N	248.091	-0.860	50	10	BBGE	
Cc1nc[nH]c1CCNc1ncccc1B(O)O	2223633551	XYRLFCQUDXZXKY-UHFFFAOYSA-N	246.079	-0.552	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@@H]2CN)cc1B(O)O	2223643445	VVEBDRDZCQSOSI-MWLCHTKSSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@]23CCCO3)c1	2223679299	NUOHKVVWMQHULG-PWSUYJOCSA-N	248.091	-0.115	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CCC=CCC1	2224024362	AHUWRKVAPXFTEC-UHFFFAOYSA-N	248.091	-0.331	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243348881	BGOCRMSLWWEBIJ-OCAPTIKFSA-N	227.069	-0.323	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C1CC1)C(F)(F)F	2243361934	JIGZTVQBVONXIR-ZETCQYMHSA-N	234.970	-0.541	50	10	BBGE	
O=C(Nc1nncs1)c1occc1B(O)O	2243363857	NLGCKABEFVOMHO-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C=CCOCCN(C)C(=O)C1(B(O)O)CC1	2243364754	BSLUKYKBAQIDFQ-UHFFFAOYSA-N	227.069	-0.346	50	10	BBGE	
COc1nnc(NC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243380969	BDYWNQWHTBQLAP-IMJSIDKUSA-N	243.053	-0.652	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1N	2243398948	VQYOWTMSOPWTDD-SFYZADRCSA-N	226.085	-0.811	50	10	BBGE	
C[Si]1(C)CCC(NC(=O)C#CB(O)O)CC1	2243400747	HKALYWMTELKOIG-UHFFFAOYSA-N	239.156	-0.011	50	10	BBGE	
CCC[C@@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243415622	YUDVEXNBTBHDJS-IWSPIJDZSA-N	228.101	-0.517	50	10	BBGE	
CC1([C@H](CO)NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243420255	PKRMYBZJQBDPNU-RNJXMRFFSA-N	227.069	-0.874	50	10	BBGE	
C=CCOCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243426604	JCUYKBYCBFEYRQ-KYZUINATSA-N	227.069	-0.442	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]c1C	2243426768	LRPHXFXXTFCYFN-BQBZGAKWSA-N	223.041	-0.172	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)NCC=CB(O)O	2243829445	HEHLIGAXILRTCH-WPRPVWTQSA-N	227.069	-0.657	50	10	BBGE	
COC[C@]1(C)C[C@H]1CN(C)[C@H](C)C(=O)NN	2243837862	MIGCMEQMLPPIKS-YWVKMMECSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cocc1B(O)O	2244205461	JRRYQVPSOJDGBZ-IMTBSYHQSA-N	223.037	-0.512	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)co1	2244205708	MNYVOAYYRSKKPR-QMMMGPOBSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2244217099	NNPRRNIVPHUCJW-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
CC1(OCc2ccccc2B(O)O)COC1	2245001314	KFOMKLFZVOGSFB-UHFFFAOYSA-N	222.049	-0.328	50	10	BBGE	
O=C(C#CB(O)O)N1CC2(CCCC2)CC1=O	2247743777	JCAGFSTZWJZSCH-UHFFFAOYSA-N	235.048	-0.679	50	10	BBGE	
C[C@@H]1CC[C@](CO)(NC(=O)C2(B(O)O)CC2)C1	2247754997	OXYLACAWPDIAKN-SCZZXKLOSA-N	241.096	-0.339	50	10	BBGE	
CC1(NC(=O)c2ccc(F)c(B(O)O)c2)CC1	2247762116	ZUDOSIRITIUTSG-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CN(C[C@@H]1CCNC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792203	RBCNZSWQUTUSGT-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
N[C@@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797308	IKHNRRJEFKUBMK-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
COc1ncccc1NC(=O)[C@H]1C[C@H]1B(O)O	2247804708	HYMMBBFAVATIIU-NKWVEPMBSA-N	236.036	-0.108	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806183	MRKALPWWGDESSX-BGZDPUMWSA-N	237.064	-0.366	50	10	BBGE	
Cc1cnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2247806911	OWPTVLKKUXTUNY-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
O=C(Nc1cncnc1)c1sccc1B(O)O	2247867251	BKVJHHRPYBDXAG-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C=C1CN(C(=O)c2cccc(B(O)O)c2F)C1	2247868444	UKNVAMAWCMLFPI-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1N	2247873786	LYTYHIRNEGMTFG-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247893700	WRMZVCGJPPCBFW-HORUIINNSA-N	241.096	-0.077	50	10	BBGE	
NCC1CCN(C(=O)C2CC(B(O)O)C2)CC1	2247911132	TVSFDCFWQNHSTK-UHFFFAOYSA-N	240.112	-0.563	50	10	BBGE	
CC[C@@](C)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248574012	MUDRNMVBGARSEV-MATHAZKKSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580469	YNXPOEVYRCBAFH-NGJRWZKOSA-N	241.052	-0.687	50	10	BBGE	
CC[C@H](OCCN1CCOC[C@H]1C)C(=O)NN	2249105459	CZKLJROBGTVKNH-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(CC1CCC1)C(=O)c1cc(B(O)O)co1	2249415606	GQUARZUPNWRLNF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(F)cn1	2249997786	BBOQVSYKNRCRSL-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
C=C1CON(C(=O)c2nc(C)ccc2B(O)O)C1	2255481235	DXWNWXNKRJQIHF-UHFFFAOYSA-N	248.047	-0.987	50	10	BBGE	
O=C(NC[C@H](O)c1ccccc1)C1(B(O)O)CC1	2255486563	CHMPJPBMAPXZHD-JTQLQIEISA-N	249.075	-0.157	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC=CC12CCC2	2255549723	TVAYERJRBAEWGY-UHFFFAOYSA-N	247.063	-0.976	50	10	BBGE	
Cc1cnc(C(=O)NC2[C@@H](C)[C@@H]2C)c(B(O)O)c1	2255555668	FBPSVUMPOMGBDX-YUMQZZPRSA-N	248.091	-0.546	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@@H](C)[C@H]2C)c1B(O)O	2255573445	MTHNAERQNTYRJC-RKDXNWHRSA-N	248.091	-0.450	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1ccoc1B(O)O	2255723239	ZVUGHPXJYRWDLA-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2C)c1	2255743409	FVBRIZIWAGILSK-CPCISQLKSA-N	249.075	-0.487	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255951740	JZNBWRWOXVVEDT-XCBNKYQSSA-N	249.075	-0.400	50	10	BBGE	
CC#CCCC(=O)NCc1ccccc1B(O)O	2256722455	QRFDNOTVJWAQBQ-UHFFFAOYSA-N	245.087	-0.214	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@H](C)C1	2257491216	KYPNZDJVGCHUHZ-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1cc(B(O)O)co1	2258139946	ZWHSRHBJXSDSMC-APPZFPTMSA-N	249.075	-0.170	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	2298164899	OPBMCGUQPPLJCW-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
O=C1C[C@@H](C2CC2)CN1C(=O)[C@H]1C[C@H]1B(O)O	2298376893	VMXRRYGFKXCSLX-HRDYMLBCSA-N	237.064	-0.366	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299770470	UYWTYOAFVIAUJZ-JBLDHEPKSA-N	241.335	-0.152	50	10	BBGE	
CCCc1noc([C@H](C)NC(=O)C(=O)NN)n1	2300128344	VFQOVDCZMGIRQC-YFKPBYRVSA-N	241.251	-0.811	50	10	BBGE	
CN(CCCN)c1ccc(B(O)O)cc1C#N	2301343187	IFTKEYXCPJGYIE-UHFFFAOYSA-N	233.080	-0.977	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](F)C2=O)C1	2301874894	AXTMRZXPTIJKMP-YIZRAAEISA-N	243.282	-0.037	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COC[C@H]1[C@@H]2COC[C@@H]21	2302811790	UICAQDWXYXOIDR-HPENLJRUSA-N	240.303	-0.089	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COCC1[C@H]2COC[C@H]12	2302811792	UICAQDWXYXOIDR-SCVMZPAESA-N	240.303	-0.089	50	10	BBGE	
CC[C@](C)(Cn1cnc(C)cc1=O)C(=O)NN	2303440608	ZJSXMCJMSKCMQF-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1ccc(B(O)O)cn1	2307296419	HZQILQAZYJOPSW-CZMCAQCFSA-N	238.071	-0.054	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317150244	CJTVQHPRHSISHO-UFBFGSQYSA-N	248.091	-0.191	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@@H]1CO	2317166357	UJEYKEKYSKZYGB-VHSXEESVSA-N	246.075	-0.722	50	10	BBGE	
N#CCCN(c1cc(B(O)O)c(F)cn1)C1CC1	2320796741	NYOQGASMHSYPEC-UHFFFAOYSA-N	249.054	-0.217	50	10	BBGE	
O=C(CCl)NC[C@H]1CN2C(=O)C[C@@H]2O1	3812659	JPIMUEXMCDPXQN-XNCJUZBTSA-N	218.640	-0.701	50	10	BBGE	
O=C(CN1CCOCC1)N/N=C/c1ccc[nH]1	59166927	LNGWRDGVEQLFDC-MDWZMJQESA-N	236.275	-0.203	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1CCC(=O)N1	70681390	ZFAUTPZTDMZGKF-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	82468995	UFGQXKRXXUYCKW-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cnc([N+](=O)[O-])c1	82471301	AQTHKQNFNQUATO-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1CC(O)C1	84453467	ZKALAACNJXEZIR-KKMMWDRVSA-N	201.270	-0.933	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C(=O)[C@@H](C)Cl	85088988	HEUSMKKBDLKFRC-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
OB(O)c1cnc(NCc2ccco2)nc1	204235524	PITHXDBMQIAWPK-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)cc(Cl)n1	206085655	LKRXQRFIQKIGTN-UHFFFAOYSA-N	202.362	-0.677	50	10	BBGE	
CN(CCC#N)C[C@H]1CC[C@@H](C(=O)NN)O1	223068329	NGDHTRBVFBTFOE-BDAKNGLRSA-N	226.280	-0.631	50	10	BBGE	
OB(O)c1ccnn1-c1ccc(F)cc1	223619400	AMQOZHAHWBJSOV-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
C[C@@]1(NCC(=O)NNc2ccccn2)CCNC1	230738506	AFKWNAMUOXKVBI-GFCCVEGCSA-N	249.318	-0.134	50	10	BBGE	
OB(O)c1ncc(Br)s1	238638640	DGVUZVNLWCFPRF-UHFFFAOYSA-N	207.845	-0.415	50	10	BBGE	
NCC1(c2ccc3c(c2B(O)O)OCO3)CCC1	258364846	LZJUMHKATNPYJW-UHFFFAOYSA-N	249.075	-0.525	50	10	BBGE	
CN(N)C(=O)C[C@H](N)c1ccc2[nH]c(=O)[nH]c2c1	259103590	QHRDGOKWSNGXET-ZETCQYMHSA-N	249.274	-0.422	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](O)CC1	307036911	ONZCIICEYOUTRP-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
NC(=S)NNC(=O)Nc1nncs1	307200270	BWLQLQMFLPIQHO-UHFFFAOYSA-N	218.267	-0.592	50	10	BBGE	
C[C@@H](CCO)CN=c1[nH]c(CCl)nc(=N)[nH]1	381201526	BTYMCHFORXBREW-LURJTMIESA-N	245.714	-0.125	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](O)CC1	381971429	CCNJGLNMAKUNFR-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC(C)(CCN1CCCNCC1)C(=O)NN	396042252	SPNWUTZSJFIDHR-UHFFFAOYSA-N	228.340	-0.312	50	10	BBGE	
N#Cc1cccc(CCC(=O)O)c1B(O)O	396097540	JADIMXFHVWICAR-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
N#CCCc1cccc(CC#N)c1B(O)O	396135714	FVLIJMLPHNAHCQ-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
N#Cc1cccc2c(B(O)O)c(CO)sc12	396213729	DEEWFFGNNFGXNU-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc2c(O)ccc(B(O)O)c2s1	396352781	YOKCPRMRTDJIGI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OCc1c(O)ccc2cc(B(O)O)sc12	396354008	ZSQCCQLTUIFQSX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CON(C)C(=O)CNC(=O)[C@H](C)Cl	397527775	IUUFVIQZFOTNOC-YFKPBYRVSA-N	208.645	-0.250	50	10	BBGE	
OB(O)c1cncc(OCCc2cnccn2)c1	402597066	OUOFSCGSABDABQ-UHFFFAOYSA-N	245.047	-0.827	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1sccc1B(O)O	404925417	ZPXKZJLYUXALPK-RNFRBKRXSA-N	239.105	-0.300	50	10	BBGE	
C[C@H](NC(=O)C1CC1)c1ccc(B(O)O)cc1	404996684	IFABSJWPBKXVLV-QMMMGPOBSA-N	233.076	-0.046	50	10	BBGE	
COCC(=O)Nc1ccc(B(O)O)cc1C	405012367	YLKMHELXSGHEQQ-UHFFFAOYSA-N	223.037	-0.740	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1CCNC1=O	575521725	HZTNICRTJIDZHT-WHFBIAKZSA-N	235.081	-0.226	50	10	BBGE	
CCCCOC(=O)C[S@@](=O)CC(=O)NN	586372330	WDKDTOMPDRAVOE-HNNXBMFYSA-N	236.293	-0.932	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCSCC1	606286010	AZCGUAAUQNZTMR-LURJTMIESA-N	217.294	-0.622	50	10	BBGE	
O=C(NCB(O)O)[C@@]12CCC[C@H]1OCC2	687414036	QSEUSAORISOXMD-VXNVDRBHSA-N	213.042	-0.926	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1COC[C@H]1C	688141892	AUFINTGSWIQUIP-KATARQTJSA-N	229.324	-0.032	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1C	690064219	AAEUPURTEIPAAW-ONGXEEELSA-N	249.075	-0.352	50	10	BBGE	
C[C@H]1CCN(S(C)(=O)=O)C[C@H]1N=C=O	693477127	WVZXIQJSYKLUBR-JGVFFNPUSA-N	218.278	-0.008	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2COc3ccccc32)n1	694230166	SWQDCKJPUGABBJ-SECBINFHSA-N	244.059	-0.261	50	10	BBGE	
Cc1nn(CCC(C)(C)C(=O)NN)c(=O)o1	694836711	XSNHRVWGPANOED-UHFFFAOYSA-N	228.252	-0.449	50	10	BBGE	
Cc1cn(C)nc1N1CC(=O)OC(=O)C1	697666646	BUPPCKXYIIFAEE-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
CC[C@@](C)(C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703435930	IIAYCKSKPNSBLX-HFJPGXAFSA-N	240.259	-0.443	50	10	BBGE	
NC(=O)NNC(=O)C12CCCN(CCC1)C2	705920957	YUNJJBBLJDWRGY-UHFFFAOYSA-N	226.280	-0.438	50	10	BBGE	
COC[C@@H](C)Oc1c(F)cccc1B(O)O	707076476	SPGJXAFPPXJRAZ-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H](C1)C2(F)F	715400452	GQJMYGUSAGMERV-LYFYHCNISA-N	219.235	-0.048	50	10	BBGE	
O=CC1=CC[C](N2C[C@@H](O)[C@H](O)C2)S1	725566511	SRIHDYHKGGUPHQ-HTQZYQBOSA-N	214.266	-0.267	50	10	BBGE	
C[C@@H]1COCCC1=NNC(=O)[C@H]1COCCO1	794512802	CDTUWUJCTBJCPO-PSASIEDQSA-N	242.275	-0.070	50	10	BBGE	
C[C@@H]1COCCC1=NNC(=O)[C@@H]1COCCO1	794512803	CDTUWUJCTBJCPO-SCZZXKLOSA-N	242.275	-0.070	50	10	BBGE	
CON=CC(=O)NNC(=O)Cc1ccccn1	809667261	UERUCARPTAQQGV-UHFFFAOYSA-N	236.231	-0.596	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)N1CCOCC1	843778645	HSEKSTFDCCDWMV-UHFFFAOYSA-N	231.227	-0.439	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(O)cn1	1142143342	YDRLDAYRPTWUCB-UHFFFAOYSA-N	210.193	-0.639	50	10	BBGE	
C[C@H](O)C(=O)NNC(=S)Nc1ccccn1	1176946505	GFARYISQNANDJG-LURJTMIESA-N	240.288	-0.220	50	10	BBGE	
CCN(CCO)NC(=O)Cc1nnc(N)s1	1452330321	IQSQHSDHOVKXGF-UHFFFAOYSA-N	245.308	-0.992	50	10	BBGE	
Cc1nonc1C(=O)NNC(=O)c1cc[nH]n1	1641298777	OTBKZCASGFYHPU-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ncon1	1681854859	PUXVVQUJDGVOIN-PHDIDXHHSA-N	239.235	-0.188	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)Cn1cncn1	1884829793	VWQSWVGAWMGFOV-ZETCQYMHSA-N	212.640	-0.365	50	10	BBGE	
NCCSSCCN1C(=O)CNC1=O	1885644481	DXZQXZKVMZPCJX-UHFFFAOYSA-N	235.334	-0.122	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1CC(=O)NN	1885841520	HBPOVKDUUXWRFK-APPZFPTMSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(CNC(N)=O)C1	1887054090	RXNRFMOIWYTTMS-YFKPBYRVSA-N	219.672	-0.260	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](F)C1	1892436507	QTEUEPDOTPLLSZ-ZETCQYMHSA-N	203.217	-0.803	50	10	BBGE	
O=C(O)C[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1893454364	WIEACHMBIILKGV-HCWXCVPCSA-N	221.640	-0.435	50	10	BBGE	
CO[C@@H]1C[C@H]1CN=c1[nH]c(CCl)nc(=N)[nH]1	1896313252	UKVQPOMRVBRWEN-NTSWFWBYSA-N	243.698	-0.108	50	10	BBGE	
CC(C)NC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	1902515694	KEIYZUIMBNFXLP-DTWKUNHWSA-N	228.101	-0.552	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)c(F)cn1)C(F)F	1903005097	CDRDTKPQCOHADL-SCSAIBSYSA-N	233.986	-0.034	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@@H]21	1909250143	DNLBGOLFIHOCJT-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](Cn1cnc2c(N)ncnc21)C(=O)NN	1912214016	COLPWXQLFASLHP-YFKPBYRVSA-N	235.251	-0.966	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CCCC2)C[C@H]1CO	1912752736	DAZYMBZWPRLCEL-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(C1)CC2(F)F	1914535136	WKYQMBXAMLLXQE-BQBZGAKWSA-N	231.246	-0.047	50	10	BBGE	
COC1CC(N(C)Cc2ccccc2B(O)O)C1	1914802681	CXCHFRVVYDZPIW-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(C)CS(=O)(=O)C1	1918427776	BABGSPDUUVIIEU-YFKPBYRVSA-N	225.697	-0.083	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2CCC[C@H]21	1928998969	GXOKHZIEVZDEJR-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
COc1nscc1CNC(=O)NN	1929636195	WSEQEXWXABRVIG-UHFFFAOYSA-N	202.239	-0.175	50	10	BBGE	
C[C@@H](CN1CCOCC[C@H]1C)C(=O)NN	1929659874	SDADENCOGQMQQL-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
O=C(CBr)N1C[C@H](O)[C@H](F)C1	1929870238	NZYTYSFSYYKFGM-UHNVWZDZSA-N	226.045	-0.078	50	10	BBGE	
CO[C@@H](CNC(=O)NN)[C@H]1CCOC1	1930526708	YWMSFSTWEZUMCL-BQBZGAKWSA-N	203.242	-0.789	50	10	BBGE	
NNC(=O)CN1CCc2ccncc2C1	1930898347	ZPNANXOQXJUMSD-UHFFFAOYSA-N	206.249	-0.570	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(CCO2)C1	1932811296	AYZOHKUQJGJURQ-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)CCN1CC([C@H]2CC2(F)F)C1	1933056422	KLRDEWYBRUAINF-SSDOTTSWSA-N	219.235	-0.047	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](C2CNC2)C1	1934444659	UWIZTVIZZUZCEQ-NKWVEPMBSA-N	209.698	-0.142	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1O	1936090015	XXCFIKBOIYIMOS-QEYWKRMJSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936093604	FZBKQRQLHYDFJY-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1939968336	YZVPFYIQYDIAEJ-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
CN(Cc1nccn1C)C[C@H]1C[C@@H]1C(=O)NN	1941081728	XYRPZDJDXMQKSJ-BDAKNGLRSA-N	237.307	-0.522	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1	1954505967	KYNVEEZDOWVKJQ-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
CC(C)OC1CN([C@H](C)C(=O)NN)C1	1955279798	HIPNTGLWPFGMPU-SSDOTTSWSA-N	201.270	-0.526	50	10	BBGE	
O=C1C[C@@H]2CCN(C[C@@H](O)CCl)C[C@H]2N1	1960156432	SIUDEQWMIBIFDY-XHNCKOQMSA-N	232.711	-0.204	50	10	BBGE	
COC[C@]12CN(CC(=O)NN)C[C@@]1(C)C2	1960279486	ZYQLGBNASYNDJS-ZJUUUORDSA-N	213.281	-0.665	50	10	BBGE	
CN1CCC2(CC1)CCN2CC(=O)NN	1961289599	ZAHOKFFAZQFZEE-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
CNC(=O)c1ccc(CNC(=O)NN)cc1	1976756382	SXHHFNJILPBPJW-UHFFFAOYSA-N	222.248	-0.281	50	10	BBGE	
CCOCC1CN([C@H](C(=O)NN)C(C)C)C1	1979179472	NHQWKDISWOXJEA-JTQLQIEISA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H](CF)C1	1981250198	ULYAGBHQNGXYBG-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
COC[C@@H](C)N(C)c1ccc(B(O)O)cn1	1981414616	ULYAKCBIYKRTKZ-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
CC[C@H](C)Oc1nc(C)nc(C)c1B(O)O	1981422632	RLVMRTLZBJUJEK-LURJTMIESA-N	224.069	-0.049	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCCO1	1981431036	VCHBCVNBBBZSMS-QMMMGPOBSA-N	223.037	-0.681	50	10	BBGE	
Cc1nc(N2CC[C@@H](F)C2)ccc1B(O)O	1981469394	RRSJEQSSTWEQQK-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@@H](CCOCCOCC(=O)NN)N(C)C	1983694047	NEBJLAJYXWSBGY-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
COC12CC(C1)N(CC(F)(F)C(=O)NN)C2	1986829579	XYSHXWVKEPSKAD-UHFFFAOYSA-N	235.234	-0.525	50	10	BBGE	
CCC(=O)N(C)[C@@H](C)c1nscc1B(O)O	1987163067	XCVOTKGSKQQRAA-LURJTMIESA-N	242.109	-0.248	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1C[C@H]1C(=O)NN	1987562326	KJNWJEXBBTVCMY-DOLQZWNJSA-N	224.308	-0.999	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@]12CCOC2	1991339009	UIUCYHMWAOFVSA-PSASIEDQSA-N	225.053	-0.903	50	10	BBGE	
COC[C@H](C)COc1cncc(B(O)O)c1	1992686640	YUYSKRDHCFZMEY-QMMMGPOBSA-N	225.053	-0.577	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)NC(=O)CCl)C[C@H]21	1993441536	YGGSBLCVVHVFBI-CNYLLVADSA-N	245.666	-0.876	50	10	BBGE	
NNC(=O)C(=O)N1CCC([C@@H]2CCOC2)CC1	2004394110	PRNWHOBWHRUQNL-SECBINFHSA-N	241.291	-0.749	50	10	BBGE	
CCCCN(c1ncc(B(O)O)cn1)C1CC1	2004911435	HAPQAYFBLRUUKK-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
C[C@@H]1[C@H](CN(C)c2ncncc2B(O)O)[C@@H]1C	2004915780	DBIOAIRFYUCSHY-AYMMMOKOSA-N	235.096	-0.505	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)c1ncccc1B(O)O	2004934028	OYGXSZQJMAEMSL-UWVGGRQHSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(O[C@H]2COC[C@H]2C)ncc1B(O)O	2004935242	MCUMIVFQYILRES-SCZZXKLOSA-N	237.064	-0.516	50	10	BBGE	
CCOCCCOc1ncc(B(O)O)cc1F	2004935372	XBFGFNVIHQURNJ-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
CCN(CC)CCCO[C@@H](COC)C(=O)NN	2007019656	DILLBSJZOXEAJE-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
C[C@H]1OCC[C@@H]1COc1cncc(B(O)O)c1	2008407959	MCJGHISQWOLEAJ-RKDXNWHRSA-N	237.064	-0.435	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1OCC[C@H]1F	2009181246	IXGOGCCDYGLDQF-MWLCHTKSSA-N	240.039	-0.128	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC2(COC2)C1	2011119452	HDTMKPFYYDHAEN-VIFPVBQESA-N	243.307	-0.898	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCc2nccn21	2013310159	WWYJYFQOMGUJMX-SECBINFHSA-N	237.307	-0.318	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COC[C@H]32)c1	2013469452	WICOVXRDLNEROK-CMPLNLGQSA-N	233.076	-0.803	50	10	BBGE	
Cc1cnc(C(=O)NCC=CB(O)O)c(C)c1	2020069100	XUXZEXDGXZDGLB-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
Cn1cnc(COc2cccc(B(O)O)c2)n1	2020862348	PIGJFOCZWNANBW-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C=C(CN(C)[C@H]1C2CCN(CC2)[C@H]1C)B(O)O	2021162356	FUVZTBFBDBYYNS-CMPLNLGQSA-N	238.140	-0.031	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccccc1B(O)O	2043289820	MNAMOXZZYZGHHI-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]2CN(C)C)c1B(O)O	2052471662	GVWVTMCKQZINDV-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCCC[C@H]32)n1	2052619620	HUCYDDJCMVIZHL-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
Cc1c(C=O)cc([N+](=O)[O-])cc1B(O)O	2060283818	QFXRJSITGCHRDV-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
Cc1nccn1CCOc1ncccc1B(O)O	2064611483	INKQTJYUWCZNHE-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)C[C@H](CO)C1	2209869185	ZNHRWYBBDNBPSJ-YUMQZZPRSA-N	221.684	-0.326	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@H]2C)cc1B(O)O	2212604779	SOZKNLXFZNBTEZ-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@]2(F)C[C@H]2C)n1	2214489456	YQBUZDAUNZBLKD-LDWIPMOCSA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC[C@@H]1CF	2215770352	AYPSMPZOJUHQNJ-KXUCPTDWSA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2CO[C@@H](C2)C1	2215776406	MOWKUPOGWXHDOK-XWLWVQCSSA-N	239.319	-0.277	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Oc1cc(B(O)O)ccn1	2217190861	AHMLOZQKDCQTKA-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCNCC2)c1	2217191943	FNPROGDEERIYAI-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
N[C@H]1CC[C@H]1COc1nccc(B(O)O)c1F	2217193151	LCYACSOCYVSCPX-XPUUQOCRSA-N	240.043	-0.983	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)Nc1ncccc1B(O)O	2217195601	LSQNGTGVPIUHDI-PSASIEDQSA-N	238.096	-0.421	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)C(C)(C)CO	2217203642	YHYQBQTXGHUAJO-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCC[C@H]2NCC3)c1	2223632337	IIXBWFHCGWRNMB-ZYHUDNBSSA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CN[C@@H](C2)C1	2223634818	OWDCRTJFQKMZFK-GUBZILKMSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1OC2(C)CC1(Nc1cc(B(O)O)ccn1)C2	2223636894	NCXRYYOZPUEADA-HUUUCTMMSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1cccnc1OC1[C@H]2CC[C@H]1CNC2	2223646314	JDINIJCEPBUURH-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@H]2C=C[C@@H](C1)O2	2223678728	GXPASWUPGGTTTA-PBINXNQUSA-N	246.075	-0.341	50	10	BBGE	
N[C@@H]1CCCCCN(c2cc(B(O)O)ccn2)C1	2223679463	PZSYUQMAFNUTCH-LLVKDONJSA-N	249.123	-0.531	50	10	BBGE	
CC[C@@]1(N)CCCN(c2ccc(B(O)O)cn2)C1	2223679842	VFWNFEXSCPLLQF-GFCCVEGCSA-N	249.123	-0.531	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CSC1	2241495830	NDYWOZCPJJDXSH-NKWVEPMBSA-N	215.083	-0.577	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H](Cl)C1)N1CC(O)C1	2241655867	SKEPPBZCITXDPJ-IZLXSQMJSA-N	240.712	-0.733	50	10	BBGE	
CO[C@H](CCl)CNCC1CS(=O)(=O)C1	2242449324	KHQABWSIGWHTNL-MRVPVSSYSA-N	241.740	-0.126	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(F)(F)C1	2243348447	XREGSKPQOPHIBG-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@H](F)C1	2243349127	GPIPAIFGDLTYSU-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2243349509	MNMMPCLSSCNEPN-SCSAIBSYSA-N	231.995	-0.922	50	10	BBGE	
CC#CCN(C)C(=O)c1occc1B(O)O	2243358162	DKMPBLCEYWJRQW-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)C1(B(O)O)CC1	2243364041	PZRUGQRGGGKNCU-MRVPVSSYSA-N	227.069	-0.299	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1csnc1B(O)O	2243378227	PCSINAPTWFHRMK-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243403665	ASRKOAHLLIEKNE-MZUZGICHSA-N	229.085	-0.628	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2sccc2B(O)O)[C@@H]1C	2243406889	HJENPGRZGGMGIS-UQWHLADISA-N	239.105	-0.188	50	10	BBGE	
O=C(N1CC2(CCCO2)C1)C1(B(O)O)CC1	2243411669	YCYLQXNJVDUYDM-UHFFFAOYSA-N	225.053	-0.615	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1F	2243413434	GCJHQVPXMNAWOV-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H](C)[C@@H]1C)B(O)O	2243427226	SADGJHDTZBGJEQ-CBAPKCEASA-N	247.125	-0.385	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2244149140	DGEDQMNICMUWHD-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N1CCC(B(O)O)CC1	2244180536	OGFMAFFTIHIEGC-VHSXEESVSA-N	229.085	-0.661	50	10	BBGE	
CC1(CNC(=O)c2cocc2B(O)O)CC1	2244206436	WUYGIIVWOPFNOO-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	2245130109	HHSAHQIILJOYQN-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
O=C(NCC[C@H]1CCO1)[C@H]1C[C@H](B(O)O)C1	2246225028	QGSXBFYBFWRRIT-CIUDSAMLSA-N	227.069	-0.465	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1ccc(B(O)O)o1	2247741808	GENUZBKXKWJDNT-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
CC(C)CONC(=O)c1ncccc1B(O)O	2247771048	JYCZYEDIXVWWRP-UHFFFAOYSA-N	238.052	-0.921	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247798536	VETFSRHVIGHYGG-YNTFGVKOSA-N	241.096	-0.485	50	10	BBGE	
CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247808075	STJCUBMHHGJDSK-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
COC1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247808207	TYSILQMFSYHVFE-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(C#CB(O)O)NC1([C@H]2CCCCO2)CC1	2247847190	SVHSTYWTPUDTRQ-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
Cc1ccncc1[C@H](C)NC(=O)C#CB(O)O	2247848404	LMTPEYMSHPRMPT-VIFPVBQESA-N	232.048	-0.417	50	10	BBGE	
Cc1cnc(CN(C)C(=O)C2(B(O)O)CC2)[nH]1	2247879269	SMQKYRXAIXJFJF-UHFFFAOYSA-N	237.068	-0.316	50	10	BBGE	
C[C@H]1CCNCCN1C(=O)C1CC(B(O)O)C1	2247909119	FMZLRKREZDJBKA-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1cocc1B(O)O	2250890194	CVYHZRUMYABBDR-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)cc1	2252747068	SJVJCEANMRJMDH-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)[C@@H]1CC1(C)C	2255456781	SRFDYVOSUIHKGJ-SNVBAGLBSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CC[C@H]2C1	2255515940	DZCLYCWLCOFCJK-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
Cc1ncc2c(n1)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2255571123	MKIXJKZXLWUKOE-IUCAKERBSA-N	247.063	-0.510	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ncccc1B(O)O	2255692876	OGRWDKXCSHISDK-IUCAKERBSA-N	248.091	-0.226	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1coc(B(O)O)c1	2255723784	IVQJWBOKTTZSAY-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@]23C[C@H](CO2)C3)n1	2260643812	SGFNMFSXOHHABG-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
CO[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368682	RQSUNXLAVZAUSM-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2COCC[C@@H]21	2298369632	AEEXXYKWBBKPQI-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371722	STJCUBMHHGJDSK-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@]1(C)CN	2298375394	IDAFCFFTWAHMLQ-UYAYMFIHSA-N	240.112	-0.707	50	10	BBGE	
CC(C)N1CC[C@H](N2CC[C@@H](B(O)O)C2)C1=O	2303104502	JGGSFTCXWISEJH-ZJUUUORDSA-N	240.112	-0.456	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CNC[C@H]1F	2303695552	CMMSZQUTELFMIP-YNTFGVKOSA-N	244.075	-0.992	50	10	BBGE	
NCC1(Nc2cc(B(O)O)c(F)cn2)CCC1	2303834305	CZECXMSTBZRWER-UHFFFAOYSA-N	239.059	-0.806	50	10	BBGE	
C#CC1(F)CN(c2cc(B(O)O)c(F)cn2)C1	2303836527	NSIWJQRKXHDAOU-UHFFFAOYSA-N	238.002	-0.938	50	10	BBGE	
Cc1nnccc1C(=O)N1CC[C@](C)(B(O)O)C1	2319679157	DLSZUJKWSUFACY-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
CCNC=C(C#N)C(=O)N1CCOCC1	2324939312	KYHYKOXBXOGUEU-UHFFFAOYSA-N	209.249	-0.138	50	10	BBGE	
NNC(=O)Cn1c(N)nc2cc(F)c(F)cc21	75415278	MXHFJQOSFBBZQE-UHFFFAOYSA-N	241.201	-0.113	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cscn1	82469426	ZFUWCAAZJCOLST-LURJTMIESA-N	214.294	-0.047	50	10	BBGE	
C[C@H](CSc1nnnn1C1CC1)C(=O)NN	82471961	DNZBUWWRGCWKAI-RXMQYKEDSA-N	242.308	-0.274	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)CBr	82506331	RKULYOPSTSMUCC-BYPYZUCNSA-N	240.053	-0.969	50	10	BBGE	
CCc1nc(CC)n([C@H](C)C(=O)NN)n1	84066046	SPBYXXUYSFAPBU-ZCFIWIBFSA-N	211.269	-0.046	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccccc1O	87797922	GGGTWZORUBTKPX-UHFFFAOYSA-N	209.205	-0.366	50	10	BBGE	
C[C@@H](O)CN(C)Cc1ccc(C(=O)NN)cn1	94763741	YIVGXBGCLTWQQQ-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
NNC(=O)CCCN1CCCN2CCC[C@@H]2C1	110584405	VRHHOUJCXSRIQL-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
CC(=O)OCC(=O)OC(=O)COC(C)=O	113161223	REFJMHFIKYREHC-UHFFFAOYSA-N	218.161	-0.818	50	10	BBGE	in-vitro
Cn1nnc(NS(=O)(=O)CCCCl)n1	127655824	PMEBDSPIOUEMPU-UHFFFAOYSA-N	239.688	-0.419	50	10	BBGE	
CCN[C@@H]1COC[C@H]1C(=O)NN(C)C	147313752	FMMMBMHIYSZQBC-HTQZYQBOSA-N	201.270	-0.796	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](O)COC	211859219	NIGXFXKNOWICCG-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
NNC(=O)c1cnn(-c2ccccn2)c1N	219118205	RMKLZAXNPKFHEK-UHFFFAOYSA-N	218.220	-0.547	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	229803730	AZQYQENRZRPPDW-KHQFGBGNSA-N	242.323	-0.789	50	10	BBGE	
Cc1nn(-c2nccs2)cc1B(O)O	238537513	PZSIQSZVFJUVNV-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)C[C@H]1C	250234872	GPUPNYDSYNKANO-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)CC1CCOCC1	259006622	HIEWKZSPKZZDTF-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
NC(=O)NNC(=O)Nc1nccs1	306361488	PMITVJBAKJZUTR-UHFFFAOYSA-N	201.211	-0.152	50	10	BBGE	
N[C@@H]1[C@H](Cl)C(=O)N[C@@H](F)[C@H]1Cl	307213534	XYRQWFMYIQVOTP-LLEIAEIESA-N	201.028	-0.046	50	10	BBGE	
NC1(C(=O)NNC(=O)C(F)(F)F)CC1	307520121	PPPHYPFTWOTRAC-UHFFFAOYSA-N	211.143	-0.813	50	10	BBGE	
N#C[C@H](Cl)CN1CCCNS1(=O)=O	307534006	ALCBZDSFNKXYGK-LURJTMIESA-N	223.685	-0.343	50	10	BBGE	
N#C[C@@H](Cl)CN1CCCNS1(=O)=O	307534007	ALCBZDSFNKXYGK-ZCFIWIBFSA-N	223.685	-0.343	50	10	BBGE	
C=CCCCNNC(=O)[C@H]1COCCN1	309627091	JGMIECGFYLIXTQ-SECBINFHSA-N	213.281	-0.438	50	10	BBGE	
Nc1cc(B(O)O)cc(OC(F)(F)F)c1F	321742190	UTXITQXRABWHFF-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](O)CC1	378791639	NWFRZQDAGIFFTR-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCCC[C@H]2O1	379026536	CXAQMTJTQUKUJO-HRDYMLBCSA-N	241.291	-0.560	50	10	BBGE	
CC(=NNC(N)=O)[C@](C)(O)CC(=O)O	383969375	MOJQHGSAMNVBSY-SSDOTTSWSA-N	203.198	-0.744	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C(N(C)C)[C@H]2C1	384765434	OMPPENHSIASVRF-LPEHRKFASA-N	240.351	-0.363	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1O	388611135	MEAPJKKLAQZIHT-BGZDPUMWSA-N	215.297	-0.687	50	10	BBGE	
COC(=O)c1cccc(B(O)O)c1CCC#N	396139725	SSKFUAKNTAIUSG-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
Nc1ccc2c(C(=O)O)c(B(O)O)sc2c1	396247394	TUJMRTCDTLZMFX-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CNC(=O)[C@H]1CCN([C@H](C)CCC(=O)NN)C1	398499696	XELBOHRZKXEVST-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@@H]2CCCO2)c1	404984887	NCTOQURHTLMJCB-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)NC1CC1	405002047	KURVZNDRPJLWDW-UHFFFAOYSA-N	220.037	-0.350	50	10	BBGE	
CCNC(=O)Nc1ccccc1B(O)O	405173056	XAPUUKLPFRFFNO-UHFFFAOYSA-N	208.026	-0.492	50	10	BBGE	
CC(C)N(C[C@@H](C)O)[C@H](C)CC(=O)NN	692171113	ANRYBAWZOPYNFQ-RKDXNWHRSA-N	217.313	-0.154	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@]1(C)CO	694662100	OPRNAMSAFHJVSJ-FXPVBKGRSA-N	229.324	-0.295	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)cn2)ccn1	698156484	GSYCHCWITWTRMQ-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
Cc1ccc(NC(=O)C(=O)NNC(N)=O)cc1	700848497	OQMIKVNPPGXHIH-UHFFFAOYSA-N	236.231	-0.367	50	10	BBGE	
COCC(COC)N(C)CCCC(=O)NN	702036230	NZQCNXJHYZFXDA-UHFFFAOYSA-N	233.312	-0.650	50	10	BBGE	
C[C@@H]1COC[C@H]1OCCCC(=O)NN	705853183	DXYMNNZZIUOWPH-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
CCOC[C@H]1CN([C@H](C)C(=O)NN)CCO1	705878393	OHCQXEGPAWGSRI-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COCC1(N(C)Cc2cccc(B(O)O)c2)CC1	706820491	GWDAYGDDWCEHEI-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](CN1CC(n2cccn2)C1)C(=O)NN	707398830	JSULQTUSBZSIKG-MRVPVSSYSA-N	223.280	-0.634	50	10	BBGE	
CC(C)[C@@H]1CN([C@@H](C)C(=O)NN)CCO1	708953612	RBCWIKXEEVTEDB-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
O=C(NCB(O)O)c1cc(Cl)cnc1F	711636006	CZURTGCFGOMULL-UHFFFAOYSA-N	232.407	-0.384	50	10	BBGE	
NNC(=O)CCN1CCOc2cccnc2C1	716438664	IKEZMOKCFYNGMP-UHFFFAOYSA-N	236.275	-0.344	50	10	BBGE	
NNC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	716684914	HZAQAEBJJFQLIH-SSDOTTSWSA-N	212.253	-0.830	50	10	BBGE	
O=C(C=C1CCC1)NNC(=O)[C@@H]1COCCO1	755366844	QALUAVJXLOFTPR-VIFPVBQESA-N	240.259	-0.341	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846387693	BSMSSVZKKDYZAB-JQCXWYLXSA-N	237.259	-0.139	50	10	BBGE	
C=CC[C@H](NNC(=O)COC)C(=O)OC	905765663	FIMXNLZUWJFVDJ-ZETCQYMHSA-N	216.237	-0.629	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cn[nH]c1)n1cncn1	1131741211	XUASRQDRQUFHPK-ZCFIWIBFSA-N	249.234	-0.977	50	10	BBGE	
O=C1NCCO[C@@H]2CCCN(C(=O)CCl)[C@H]12	1348502106	IWAUVCNMFIAVDT-APPZFPTMSA-N	246.694	-0.269	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)c1cccnn1	1471586685	YWXYXKQTSPYNKL-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CC#CC(=O)NNC(=O)c1cnsn1	1471778562	XZEINYBLHVYLQD-UHFFFAOYSA-N	210.218	-0.678	50	10	BBGE	
O=C(NNC(=O)c1n[nH]cc1F)c1cc[nH]n1	1629183698	RKTVORGUXVVVLZ-UHFFFAOYSA-N	238.182	-0.653	50	10	BBGE	
CC[C@H](Cl)C(=O)NCC(CO)CO	1882209299	BLQPGKMBNSWCJQ-ZETCQYMHSA-N	209.673	-0.279	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)C[C@@H](O)C1	1882571634	CLHLDVAZTPVLOT-RNFRBKRXSA-N	207.657	-0.431	50	10	BBGE	
N[C@H](C[S@](=O)C[C@@H]1C[C@@H]1Cl)C(=O)O	1883567772	RCKJMPMWJXIFTD-GNYLELQTSA-N	225.697	-0.226	50	10	BBGE	
C=C[C@H](CO)NC(=O)/C=C/C(=O)Cl	1883648311	YKVSBEPPFOYQPC-FCJGRKLLSA-N	203.625	-0.029	50	10	BBGE	
O=S(=O)(CCl)NCc1cc(CO)n[nH]1	1884475030	XLMLBRWWOHMDTL-UHFFFAOYSA-N	239.684	-0.482	50	10	BBGE	
C[C@@H](CN1CC[C@H](B(O)O)C1)N(C)C	1891492424	OGRKYNFERPWLEI-IUCAKERBSA-N	200.091	-0.515	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@H](B(O)O)C1	1891517972	VLMMMOXAJKRKNF-RRKCRQDMSA-N	217.461	-0.311	50	10	BBGE	
CS(=O)(=O)N1CC(NC[C@@H]2C[C@H]2Cl)C1	1893105974	CFGLYPAXZCVOBD-POYBYMJQSA-N	238.740	-0.153	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)C1CC(Cl)C1	1893482585	WOMXLXZMTCYBGD-KAVNDROISA-N	220.700	-0.218	50	10	BBGE	
C[C@H](CC(=O)NN)N(C1CC1)C1COC1	1893859545	CCAIIDMZOQKONK-SSDOTTSWSA-N	213.281	-0.382	50	10	BBGE	
CN(C)CCCOC[C@@H]1C[C@H]1C(=O)NN	1893889189	RLJJUUOCZFMMGY-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
CN(C[C@H]1COCC1(C)C)C(=O)C(=O)NN	1901069546	KQDZXSANOZPNEB-ZETCQYMHSA-N	229.280	-0.893	50	10	BBGE	
CNCCC(=O)NN(C)S(=O)(=O)C1CCC1	1901342870	RTOQXMSRVFFVIY-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1cc(N)on1	1901367738	BFVPAAVIESUBEX-UHFFFAOYSA-N	248.264	-0.817	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCCNC1)S(C)(=O)=O	1901376993	IUYKCBXRTMJWAA-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
Cc1scc(C(=O)N[C@@H]2C[C@H]2C)c1B(O)O	1902869111	VOMGNGNMFLHMEX-SVGQVSJJSA-N	239.105	-0.125	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CN(C)CC[C@@H]21	1906981793	GOCRLPFHYUTMDU-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CN1C(=O)CC(C)(C)CC1=O)C(=O)NN	1912261211	FBRJSENNOPNXLV-SSDOTTSWSA-N	241.291	-0.212	50	10	BBGE	
CS(C)(=O)=NCc1ccc(B(O)O)cc1	1913503509	DJBMROXLRYLZLX-UHFFFAOYSA-N	227.094	-0.406	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C)CC(=O)NN	1914256666	RKWISQXIXQLCKB-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1914262126	LPLCSRWGJQAZLL-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cocn1	1923410273	JOUAFHPGLRYFMN-UHFFFAOYSA-N	223.110	-0.002	50	10	BBGE	
OC[C@H]1CCN1C[C@H](O)CBr	1929729443	OCZQLEUITCBJSN-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
O=C(NNCCO)c1cnccc1Cl	1929833309	HNLMOUZVMYSXGN-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CN2CCC1CC2	1930903976	ISQUPAHGGZNZJX-ZETCQYMHSA-N	228.321	-0.807	50	10	BBGE	
CN(C)C[C@H]1COCCN1C[C@H](O)CCl	1932752461	ZBXDLTBPXZILDL-VHSXEESVSA-N	236.743	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CC1(F)F	1933032628	PFFATDHIUAFSCU-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)CCO1	1935928616	KSGADVIARIPZKY-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	1936090014	XXCFIKBOIYIMOS-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H](C)COC	1936094018	JPJLRPOEZHDNJR-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
CCCc1cnn(CCOCC(=O)NN)c1	1936532163	VQUDSAIIQAGGDI-UHFFFAOYSA-N	226.280	-0.158	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@H]2CCOC[C@H]21	1937640140	KYOUIMWLXXVKRI-OPRDCNLKSA-N	227.308	-0.419	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NC[C@H](O)CF)[nH]1	1937667799	CJVWNKKICMYCOV-RXMQYKEDSA-N	249.677	-0.770	50	10	BBGE	
Cc1ncc(O[C@H]2CCCCO2)cc1B(O)O	1944011226	NNNGJQIMTBVWPZ-NSHDSACASA-N	237.064	-0.025	50	10	BBGE	
CC(=NNC(N)=O)[C@@H](C)S(C)(=O)=O	1954002050	RQUKNUHJZONTHU-RXMQYKEDSA-N	207.255	-0.536	50	10	BBGE	
O=C1[C@@H]2CCO[C@H]2CN1S(=O)(=O)CCl	1956915772	VGVCTMHQPIGFEV-RITPCOANSA-N	239.680	-0.240	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]3C[C@@H]3C2)n1	1960013803	WHQYTIKPRHAJSN-PSVAKVPMSA-N	206.054	-0.391	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](CF)C1	1961593221	UTDNZYDBTDXPPO-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
COCCOc1ncc(B(O)O)cc1Cl	1961686415	DHLGHNPDRKUWOR-UHFFFAOYSA-N	231.444	-0.560	50	10	BBGE	
CCON(C)c1ncc(B(O)O)cc1F	1961718350	NGMYODZWFMZRCV-UHFFFAOYSA-N	214.005	-0.712	50	10	BBGE	
COC[C@@H]1CN(CCC(=O)NN)C[C@H]1C	1962492271	BMIIISHGSRKOOA-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CC(F)(F)C(=O)NN	1979617298	YULSCZIEFBWRRY-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H](CN1Cc2cnn(C)c2C1)C(=O)NN	1980301539	GZPTVRBMEVJWDR-ZETCQYMHSA-N	223.280	-0.638	50	10	BBGE	
NNC(=O)N1CCC[C@@H](N2CCOC2=O)C1	1981089692	WDMWSLDLJZQKRX-SSDOTTSWSA-N	228.252	-0.514	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1CC(C)(C)C(=O)NN	1981192113	OZYVMRBRKIVAIV-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
CN(C1COC1)C1CN(C[C@H](Cl)C(=O)O)C1	1981621268	QVHWRTQBMBGFAU-VIFPVBQESA-N	248.710	-0.307	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@@H]2CCOC[C@@H]2C1	1984480467	CCIWLPZPEHBLQG-LPEHRKFASA-N	227.308	-0.406	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]12C[C@@H](CO)C2	1985562612	XMOLTXLGMYHXHT-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CN(C)C[C@]12C[C@H](CO1)C2)C(=O)NN	1990324577	NLOSWUAARCBCOS-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)C1CC(Cl)C1	1991698436	OKOCJISBZOWFRD-GRQBKTHUSA-N	244.678	-0.123	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccoc1	1996648472	ZYJXSBNJBRPXQK-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
Cc1nccn1CCN(C)C[C@@H](C)C(=O)NN	1997479268	NPVHZYPGABOUHF-SECBINFHSA-N	239.323	-0.251	50	10	BBGE	
CCNC(=O)C1CN(CCCCC(=O)NN)C1	2002651834	HDIIZZNBGBONHL-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CC(C)(CCN1CC[C@H]2C[C@]2(O)C1)C(=O)NN	2004192696	ZTZVQRZSODMDKS-CABZTGNLSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)CCO1	2004936312	XWUUCWLFULWPIB-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC1(Oc2ncccc2B(O)O)CCOCC1	2004952323	QSIKSGPKDRFNED-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
Cc1ccc(B(O)O)c(Sc2cnn(C)c2)n1	2004991743	UONDQUUVXHMITE-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008975879	VAONCZHLVTUAMO-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ccccc1B(O)O	2009678237	ZEZAOLZPIDEFFR-MRVPVSSYSA-N	237.064	-0.270	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2cccnc2=O)C1	2010832700	KPUCEPMMMMGQHB-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1OCC[C@H]1C	2019208261	FTGQMVJIYDKALP-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COC2CC1C2	2019211395	QIYASRHPCWOYHC-UDNWOFFPSA-N	241.291	-0.737	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C)C(C)(C)C1	2019212659	SUTREBHPPUKTIL-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCOCCO1	2021413720	ZESHEZLRFQRNNI-UHFFFAOYSA-N	241.247	-0.353	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	2021736176	AONHKZXFZFQREJ-LNFKQOIKSA-N	241.335	-0.296	50	10	BBGE	
CCN(C(=O)c1ccccc1B(O)O)C1CC1	2022196488	NDLDKULXXFFKFI-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC[C@H]2C[C@@H]2C)n1	2022577924	BCBHQAOHASEAMZ-IMTBSYHQSA-N	236.080	-0.192	50	10	BBGE	
NNC(=O)C12COC(CN3CC(F)(F)C3)(C1)C2	2023854790	VOXCOFSBRXDLBD-UHFFFAOYSA-N	247.245	-0.524	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	2026822291	VDRBVQFOTDIBOR-YOESCMDLSA-N	231.060	-0.205	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2[C@H]3CCOC[C@H]32)c1	2032790673	UFVXEWUIWQPEIL-QJPTWQEYSA-N	249.075	-0.577	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2CCC[C@H]21	2052466114	GBGLLRVMJNZYBF-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
COc1nc(N2CC3(CCC3)C2)ncc1B(O)O	2052626631	DNEDQNCRRURCPN-UHFFFAOYSA-N	249.079	-0.845	50	10	BBGE	
CCOc1c(B(O)O)ccc(C)c1C#N	2060204114	SJSVMACGOBGHLC-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1cc(C=O)c(B(O)O)cc1C#N	2060240289	LEXPRYOEVBFCKT-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1c(B(O)O)cc(C=O)cc1[N+](=O)[O-]	2060283657	MPKSBFGSYLQUCJ-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
COc1cc(B(O)O)c(F)c(F)c1OC	2065322016	KIGKQACBGBDNBN-UHFFFAOYSA-N	217.964	-0.338	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2Cc1ccc(B(O)O)cc1	2067429253	CMTZDXZCJYFTIK-BETUJISGSA-N	246.119	-0.745	50	10	BBGE	
Cc1cc(OCC2[C@H]3COC[C@H]23)cc(B(O)O)c1	2068627374	GNXCWCJWRKOCAE-RYUDHWBXSA-N	248.087	-0.054	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2c(c1)OCO2	2077493026	UYFKJNGVXORIJP-UHFFFAOYSA-N	247.015	-0.840	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)c1ccc(B(O)O)cc1	2079011060	YBMCFWJRWUVMJZ-WDEREUQCSA-N	249.075	-0.990	50	10	BBGE	
Cc1cnc(S[C@H](C)[C@H](C)O)cc1B(O)O	2212600944	GMFOMDUTYXTZEO-JGVFFNPUSA-N	241.121	-0.069	50	10	BBGE	
CNC(C)(C)CNc1cc(B(O)O)ccn1	2212604174	UGCGRQULOOAFNT-UHFFFAOYSA-N	223.085	-0.829	50	10	BBGE	
OB(O)c1ccnc(OCC2(F)CC2)c1F	2212606042	NJBHRACIFDEUBT-UHFFFAOYSA-N	228.991	-0.219	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1cc(B(O)O)ccn1	2212611385	ZYCASFMVXJSBPO-CBAPKCEASA-N	222.053	-0.792	50	10	BBGE	
CC1=CCN(c2ccc(B(O)O)cn2)CC1	2212612296	JPBMMFOXZDCSRK-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C#CCC1CN(c2ncccc2B(O)O)C1	2212615505	QAQXSZRWSRROLI-UHFFFAOYSA-N	216.049	-0.779	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@H]1CC[C@H]1C(=O)NN	2215772096	LUUTXXPHNNHTBS-RKDXNWHRSA-N	242.323	-0.802	50	10	BBGE	
CN(Cc1ncon1)C[C@H]1CC[C@H]1C(=O)NN	2215774267	CZAQZJDJQPOWSL-HTQZYQBOSA-N	239.279	-0.483	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccc(O)cc1=O	2215776748	ORWLPWGVWUXNPG-APPZFPTMSA-N	237.259	-0.430	50	10	BBGE	
CC1(C)[C@@H](Oc2ncccc2B(O)O)C[C@H]1N	2217168038	WFENPUIZCYKZTQ-BDAKNGLRSA-N	236.080	-0.734	50	10	BBGE	
C#CC[C@@H](COC)Nc1ccc(B(O)O)cn1	2217171485	BDQABNIKFBSEAS-JTQLQIEISA-N	234.064	-0.788	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCC[C@H](O)C1	2217175988	QDAJEROITQTCIF-BDAKNGLRSA-N	236.080	-0.523	50	10	BBGE	
C[C@H](CCNc1ncccc1B(O)O)N(C)C	2217176855	BEECKFDELZTLTB-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)OC(F)F	2217184910	XFOJRFPRTURDLN-LURJTMIESA-N	246.022	-0.777	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccn(C)n1	2223633412	WIZZTBBGOBHPOB-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1cccnc1NCCC[C@@H]1CCCN1	2223635982	DOGBXYVVCARZLL-JTQLQIEISA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(N[C@H]2CC23CC(O)C3)cc1B(O)O	2223647409	XRFNGQFVYACCBW-BSTRBVHOSA-N	248.091	-0.605	50	10	BBGE	
Cc1cnc(N(C)C2CCNCC2)cc1B(O)O	2223647700	ZSZJVMLDRDADBR-UHFFFAOYSA-N	249.123	-0.742	50	10	BBGE	
Cn1cccc(Oc2cc(B(O)O)ccn2)c1=O	2223661093	DALGZAKFOLDYSZ-UHFFFAOYSA-N	246.031	-0.748	50	10	BBGE	
C#CCCNS(=O)(=O)N1CC(Cl)C1	2241338575	OKOGKTNTDZUCLN-UHFFFAOYSA-N	222.697	-0.233	50	10	BBGE	
O=C(NO)c1cc(B(O)O)ccc1Cl	2241583931	GSCBOYSOSNWPAR-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
CN(CC1(O)CNC1)C(=O)[C@@H]1C[C@@H]1Cl	2241933131	RCUCCBJCFULALO-RQJHMYQMSA-N	218.684	-0.594	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1coc(B(O)O)c1	2243348445	XQTLZJOUQRQGSO-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
O=C(N=c1cccn[nH]1)C1CC(B(O)O)C1	2243392717	WKGWWEPJPMONGT-UHFFFAOYSA-N	221.025	-0.910	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccsc2C1	2243398624	FUBJKAUJMUXIJU-UHFFFAOYSA-N	235.073	-0.352	50	10	BBGE	
CSC1CN(C(=O)c2ccoc2B(O)O)C1	2243407787	ZXOWCTCPXZCWCO-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C[C@@]1(O)CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243408940	XZLZNJRXPYTQCA-IONNQARKSA-N	227.069	-0.587	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1occc1B(O)O	2243410852	IYASDGCCDJMWPY-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)C1CN(C2CNC2)C1	2243751357	VSPVATHEDPYBGB-XCBNKYQSSA-N	243.738	-0.367	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CC=CC2)C1	2244526626	ORAHZXTZGLSHRC-UHFFFAOYSA-N	219.049	-0.430	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)NC(=O)CCl)C(N)=O	2246270289	XIRCBZLLORJVTE-FSPLSTOPSA-N	249.698	-0.049	50	10	BBGE	
C[C@@H](COC(F)F)Oc1ncncc1B(O)O	2246667064	JYFIQJCEFIBCDX-YFKPBYRVSA-N	247.994	-0.837	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC[C@H]1C2	2247738894	VXRVYKVSOOSANA-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1occc1B(O)O	2247757263	PYSSLOLWHDOLMX-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
Cn1cc(CCNC(=O)C2(B(O)O)CC2)cn1	2247758217	UGYWSNDPIXYBLR-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
NC1CC(F)(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786506	BTBDCGOHMYGHEL-NLZKFAMNSA-N	244.075	-0.815	50	10	BBGE	
C[C@@](CN)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792277	RZNIYSIAOFCHQN-NMLBEHRDSA-N	240.112	-0.517	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@H]1C[C@H]1B(O)O	2247798260	RTVNCXGCNUMPGM-JHFCWAQUSA-N	238.096	-0.909	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ncccc1B(O)O	2247853096	GJGAXGJKKQWCLJ-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](CNC1)C2)[C@H]1C[C@@H]1B(O)O	2247859704	OFNDJOBUOKJIQY-UYAYMFIHSA-N	238.096	-0.892	50	10	BBGE	
CCc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247860250	UHOPCTOZFVPVLX-RNFRBKRXSA-N	237.068	-0.216	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1cc(B(O)O)cn1C	2247869640	WDIYKFRGNLAMOS-SFYZADRCSA-N	236.080	-0.909	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1CCC1	2247875341	WESQJQILYSNISH-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CN	2247887918	TYSNYCQZUXZYLD-KDXUFGMBSA-N	240.112	-0.661	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)no1	2247897613	VIIYPWKQEPSBJA-KNVOCYPGSA-N	239.040	-0.753	50	10	BBGE	
C[C@]12C[C@](CNC(=O)[C@H]3C[C@H]3B(O)O)(CO1)C2	2247900727	ZDKZANCYYFTVQG-GISOBZBCSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248587505	QFHJGHFVJJWJQO-WMXYBCMPSA-N	247.031	-0.833	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2cncc2C1	2249738242	HIWROWFZKKCLRS-DTWKUNHWSA-N	237.307	-0.287	50	10	BBGE	
CC[C@]1(C(=O)NCCC#CB(O)O)CC1(F)F	2250000091	DQPDZZLFHXIAAP-SECBINFHSA-N	245.034	-0.057	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2255452174	FABCFPUYZCCHIV-LDYMZIIASA-N	248.091	-0.320	50	10	BBGE	
O=C(Nc1ncnc2ccnn12)C1(B(O)O)CC1	2255485243	PXIJGBNKFJJCKG-UHFFFAOYSA-N	247.023	-0.930	50	10	BBGE	
Cc1cnc(C(=O)NC2CC(C)C2)c(B(O)O)c1	2255683174	SAKOEQXTTCVKLD-UHFFFAOYSA-N	248.091	-0.402	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccccc1	2255687570	JKFHGCVBNZPZKF-DCAQKATOSA-N	248.091	-0.335	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1C[C@H]2C[C@@H]2C1	2255735011	LECGRTAWRAKSFD-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
Cc1ccnc(C(=O)N2CC=CCC2)c1B(O)O	2255785904	OJJCMQLIXXHGQJ-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1nccnc1B(O)O	2256055040	RVDZRXRRRYQRQE-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
C#CC[C@@H](C)C(=O)NCc1cccc(B(O)O)c1	2256666218	RAXDTIQMYURNJY-SNVBAGLBSA-N	245.087	-0.358	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ncc(B(O)O)cc1C	2257492280	UNGRUNUIEQHZQL-QMMMGPOBSA-N	246.075	-0.931	50	10	BBGE	
N#CC(C(N)=O)=C(N)C(=Cc1ccco1)C(=O)O	2296463569	BACGYRBFBXVAKQ-UHFFFAOYSA-N	247.210	-0.031	50	10	BBGE	
CC1(C)OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371466	LYLLQIXGJOWSBH-DJLDLDEBSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1CO	2298376882	UXNLSFRXFJXLFC-SGIHWFKDSA-N	241.096	-0.674	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2298377198	IDNYIBLAYXQGCL-KBDSZGMXSA-N	240.112	-0.553	50	10	BBGE	
CC1(C)[C@H](O)CN1CCC[C@H]1C[C@@H]1C(=O)NN	2300365050	WZLWZMTVTPSJPC-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CO)CNc1cc(B(O)O)c(F)cn1	2303834708	KPQWBZQEEXRQEM-UHFFFAOYSA-N	242.059	-0.669	50	10	BBGE	
C=C1COCCN(c2ccc(B(O)O)cn2)C1	2306854888	POBHAASYTXORCH-UHFFFAOYSA-N	234.064	-0.846	50	10	BBGE	
OC[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312612201	ICHAPAGNPHDZHL-WKJUBOCMSA-N	248.091	-0.810	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1	2312848000	DRJORRUNUNKYRA-OMHSBUABSA-N	249.075	-0.974	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1c[nH]nc1B(O)O	2312849592	HOVIQJZFZJTSFY-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317168846	ZHXTXROUUKXSFT-UFBFGSQYSA-N	246.075	-0.315	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317310423	ACDXTMACIYRXHO-KCJUWKMLSA-N	249.075	-0.862	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccc(Cl)cc1	42396646	XRPALSDHOUREBS-UHFFFAOYSA-N	241.678	-0.011	50	10	BBGE	
CNC(=O)NNC(=O)C[C@@H](O)C(F)(F)F	69592822	HJWMEWYRHBJCBN-GSVOUGTGSA-N	229.158	-0.740	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCC2)O1	82466033	RWFQMLZCLHCJBS-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCCO1)C(=O)NN	82469931	PMQJIOWYJOGVFS-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](Sc1n[nH]c(=O)n1CC)C(=O)NN	82472677	AOIBIPUMNXXLAT-RXMQYKEDSA-N	245.308	-0.548	50	10	BBGE	
NC(=S)NNC(=O)C[C@H]1CCCO1	83590838	NHCNZYUVVBGPJM-RXMQYKEDSA-N	203.267	-0.580	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCC(=O)NC1=O	84404775	HXZUSYHVWKPTOT-RFZPGFLSSA-N	218.640	-0.465	50	10	BBGE	
N#Cc1nccn1CCCCC(=O)NN	87344547	OJZYHWNDLRHDTM-UHFFFAOYSA-N	207.237	-0.085	50	10	BBGE	
CO[C@H]1O[C@H](CCl)[C@@H](Cl)[C@H](O)[C@H]1O	169643904	VPDVIMQPZYMQKN-ZFYZTMLRSA-N	231.075	-0.074	50	10	BBGE	
CC(=O)O[C@@H]1NC(=O)[C@@H]1Br	196524872	YHBHGWQTEGXDTR-UCORVYFPSA-N	208.011	-0.231	50	10	BBGE	
OB(O)c1cnn(Cc2ccccn2)c1	238657907	UDONZSQKNUXPTD-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
Nc1nonc1C(=O)NN=Cc1ccc[nH]1	254350759	ROSGXBOUFORIHH-UHFFFAOYSA-N	220.192	-0.256	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc2[nH]cnc2c1	258978731	JDWLYILUYBYOES-ZETCQYMHSA-N	219.248	-0.577	50	10	BBGE	
N#CC1=CN=C(N2CCOCC2)S1(=O)=O	259927008	CUSWPDIVFWSKBC-UHFFFAOYSA-N	227.245	-0.532	50	10	BBGE	
O=C1N[C@H](C(=O)NNC(=O)C2CC2)CS1	265838079	RIXJJFHGUDNBPZ-YFKPBYRVSA-N	229.261	-0.631	50	10	BBGE	
CNC(=O)CSC[C@@H](C)C(=O)NN	300774343	DMKAEGIQHDKJMD-RXMQYKEDSA-N	205.283	-0.908	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(CCCCCl)C1	308450074	AZCBNWGZXSUHGG-SECBINFHSA-N	220.700	-0.073	50	10	BBGE	
CC(=O)NCCNc1nc(N)nc(CCl)n1	309287917	IKMQKIJFLDRNFR-UHFFFAOYSA-N	244.686	-0.259	50	10	BBGE	
Cn1ncc([C@H](Cl)C(=O)N2CCOCC2)n1	309849853	XBCSWQLZHQUBHV-QMMMGPOBSA-N	244.682	-0.046	50	10	BBGE	
Cc1ccn(-c2ncc(B(O)O)cc2Cl)n1	381421913	WCQSQVBTDGJCEG-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
COC1(C)CN([C@@H](C(=O)NN)C(C)C)C1	382600269	QUQIRCFOJBOHEI-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@H](COC)C(=O)NN	385903939	PLUITDMHCLUNQS-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
O=CCCc1cc(/C=C\C(=O)O)ccc1B(O)O	396128560	AINWZMVNEUQSCD-XQRVVYSFSA-N	248.043	-0.404	50	10	BBGE	
O=Cc1csc2c(CO)c(B(O)O)ccc12	396331330	DQDURNCMNSSSAG-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=Cc1c(B(O)O)cc2sccc2c1CO	396334715	JLYWGHQUUZPLON-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1sc2c(O)cccc2c1B(O)O	396345371	PRRLHBRYUZXAMP-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC(C)O[C@H]1CCCN(C(=O)C(=O)NN)C1	404668788	VDPZJIIIHGDNFR-QMMMGPOBSA-N	229.280	-0.608	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)c(C)c1	405100562	HAIVUQPSQRDDAG-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1N(C)CC(=O)NN	687453846	HIYDIHJRYCQYOR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Cl)[C@@H](C)NC(=O)c1nnn(C)n1	697201733	UKGVVZWDAHLWDL-CRCLSJGQSA-N	217.660	-0.044	50	10	BBGE	
O=C(Cc1ccccc1O)NCB(O)O	701955582	NWSODFOACARPOJ-UHFFFAOYSA-N	209.010	-0.937	50	10	BBGE	
CNNC(=O)Cn1nnc(-c2ccco2)n1	704665511	NNSCDDDZDRFTBB-UHFFFAOYSA-N	222.208	-0.816	50	10	BBGE	
C[C@H](CN1CC(C(F)F)C1)C(=O)NN	706487854	PNWUPOSXVLAMSJ-RXMQYKEDSA-N	207.224	-0.191	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C[C@H](C)C1	707564208	LBPKWYNSIHZTRQ-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C)NC(=O)Nc1c(C(=O)O)cnn1C	725223480	FWYYYBKGOJFULU-UHFFFAOYSA-N	227.224	-0.284	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H](CO)C1	725628001	APZGYKAQJDMZLJ-QYNIQEEDSA-N	207.657	-0.575	50	10	BBGE	
CN(NC(=O)CNC(=O)c1ccccn1)C1CC1	819647110	JTMMTBHRZYBBRE-UHFFFAOYSA-N	248.286	-0.063	50	10	BBGE	
CNC(=O)NNC(=O)CN1CC[C@H](C)C1	847383218	DFTUWERGTIHALT-ZETCQYMHSA-N	214.269	-0.712	50	10	BBGE	
CO[C@H](C)C(=O)NNc1nnc(C)n1C	856049734	BGAHMYNNJKIIJI-RXMQYKEDSA-N	213.241	-0.398	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NN=c1cc[nH]cc1	1138148084	HWZDKNWDKJIDRO-OWOJBTEDSA-N	244.258	-0.206	50	10	BBGE	
CC(C)(F)C(=O)NNC(=O)c1ncccn1	1276343494	SLLWDIWMURREOP-UHFFFAOYSA-N	226.211	-0.014	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCOCC1	1321046880	PFYLUSGJNJUFII-QMMMGPOBSA-N	200.238	-0.030	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)c1cn(C)nn1	1347990314	ZKHJSIYQRFKZHO-ZCFIWIBFSA-N	241.251	-0.999	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)cc1	1447028890	XVMJBACLGJVGDN-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]c1)c1ccnnc1	1451686064	WJHGEOCQRSHRAR-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
O=C(NCc1cnc[nH]1)c1ccc(B(O)O)cc1	1565844872	RICDOYOFABTSRQ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
Cn1ccc(NNC(=O)c2nc[nH]n2)n1	1651000757	GTPJHQKOEDIHPO-UHFFFAOYSA-N	207.197	-0.705	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N2)nc1	1651593447	NRWIZFLFGMVPLH-SSDOTTSWSA-N	231.215	-0.715	50	10	BBGE	
O=C(Nc1ncccn1)c1ccc(B(O)O)cc1	1866097337	LKUCOBOMDPZVHK-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(CCl)N1CCC[C@@H]1[C@@H](O)CO	1882210788	WARRFFKLYKCGJG-RQJHMYQMSA-N	207.657	-0.431	50	10	BBGE	
NC(=O)NC(=O)CNC[C@@H]1C[C@H]1Cl	1883550492	FNHQPWAGPFWNTM-CRCLSJGQSA-N	205.645	-0.602	50	10	BBGE	
C[C@](N)(CO)CNC(=O)[C@H]1C[C@@H]1Cl	1883638953	JKQFNXSEDAFRDY-VMHSAVOQSA-N	206.673	-0.560	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@@H]1[C@H](O)CO	1885365605	OMQXWZARESAFCM-RNFRBKRXSA-N	243.712	-0.670	50	10	BBGE	
C[C@@H]1CCC[C@H](COCC(=O)NN)O1	1888224684	JQRXDRQHKPUPHK-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CC[C@H](N)CC(=O)NN(C)S(C)(=O)=O	1888598121	BKYOQPSARUSBSG-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1COCCN1	1893106778	HVJMUYNLLBGTNF-FXQIFTODSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](O[C@H]1COCC1(F)F)C(=O)NN	1893364357	NDQQVQDZTOGXOJ-WHFBIAKZSA-N	210.180	-0.585	50	10	BBGE	
CC(=O)NCCNC(=O)/C=C/C(=O)Cl	1893497235	DHPWFMFAUMYOHK-NSCUHMNNSA-N	218.640	-0.440	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@@H]1CC[C@H](C(=O)NN)O1	1896176956	YWJLBPIYIVCCCN-GJMOJQLCSA-N	227.264	-0.855	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]2(CO[C@H](C)C2)C1	1899561249	FERBADAXDQCWJL-YWVKMMECSA-N	227.308	-0.134	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@]2(CO)C1	1899671743	LLKFRYWNYFAQBI-JGVFFNPUSA-N	239.724	-0.131	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCOCC1	1900528243	RKHDCTMBMIUCEI-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	1902406501	WTFQDIBAOWNQRQ-MRVPVSSYSA-N	218.021	-0.724	50	10	BBGE	
O=C(Cc1cnsc1)N1CC[C@@H](B(O)O)C1	1902521043	FEKNMGKEPHAWBF-MRVPVSSYSA-N	240.093	-0.239	50	10	BBGE	
CC[C@@](C)(Cn1nc(C)oc1=O)C(=O)NN	1902731074	GTRSYTWBRBKDGB-VIFPVBQESA-N	228.252	-0.449	50	10	BBGE	
Cc1scc(C(=O)N[C@H]2C[C@@H]2F)c1B(O)O	1902860086	QGGIEGYKADPCSI-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)[C@H]1C	1903009657	GLETXFYAYVOAIP-BQBZGAKWSA-N	224.044	-0.255	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1908890121	JZYXPMKOFANCLB-DCAQKATOSA-N	240.351	-0.221	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC[C@@H]2CF)O1	1909808154	KLEWGDXAHUFHGQ-BBBLOLIVSA-N	245.298	-0.042	50	10	BBGE	
CCN(CCC(=O)NN)S(=O)(=O)C1CC1	1913796535	RQIIEOPULCBWJA-UHFFFAOYSA-N	235.309	-0.820	50	10	BBGE	
O=C(Cn1cnnn1)N(CCCl)C1COC1	1915654607	GAFAWXMOHBTRBO-UHFFFAOYSA-N	245.670	-0.861	50	10	BBGE	
NNC(=O)CN1[C@H]2CCC[C@H]1CC(O)C2	1922758207	ADYAROFGGOQBDC-YUMQZZPRSA-N	213.281	-0.646	50	10	BBGE	
COC(=O)[C@H](C)C(=O)NNC(=O)C(F)(F)F	1923405551	VDVYQCIDGWOYGN-GSVOUGTGSA-N	242.153	-0.495	50	10	BBGE	
NNC(=O)CCN1CC2(CSC2)C1	1928605157	JAESLTFFGXMZOL-UHFFFAOYSA-N	201.295	-0.585	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(F)C1	1932099576	PJOUIGNJNCXWHK-VXNVDRBHSA-N	219.260	-0.575	50	10	BBGE	
CC1(C)[C@@H](C(=O)NNC(N)=O)C1(F)F	1933039612	VLRFSBMDBPMNSM-GSVOUGTGSA-N	207.180	-0.023	50	10	BBGE	
Cn1c(N2CC[C@H](Cl)C2)cc(=O)n(C)c1=O	1936315169	YXADYCBNSHOKAE-ZETCQYMHSA-N	243.694	-0.099	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COCC[C@@H]1Cl	1937144816	FKURAYNDEALVBI-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@]2(CCCO2)C1	1941394548	RKIARYNAOGJCFR-UMNHJUIQSA-N	239.319	-0.133	50	10	BBGE	
O=C(CCNC(=O)C1CCCC1)NNCCO	1944214090	RBVPXLHMKQNBDS-UHFFFAOYSA-N	243.307	-0.704	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@@H](C)C1	1944325540	VCVVLWDHXLCCTE-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
CCC1(O)CCN(CC2(C(=O)NN)CC2)CC1	1945882215	DHHDGUOTBPCMMK-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1C(=O)N(CC2(C(=O)NN)CC2)C(=O)[C@@H]1C	1945884275	NUCNBMATWVOSRQ-RNFRBKRXSA-N	239.275	-0.603	50	10	BBGE	
CN1CC2(CCN(CC3(C(=O)NN)CC3)C2)C1	1945894557	ZNBVENSABYKJMF-UHFFFAOYSA-N	238.335	-0.606	50	10	BBGE	
O=C([C@@H]1C[C@H]1C(F)F)N1CC[C@H](B(O)O)C1	1951321988	PGRQXNPCAYFFFJ-RRKCRQDMSA-N	233.023	-0.037	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCc1nn[nH]n1	1955556773	BEFJRDJBYQGBQH-RXMQYKEDSA-N	217.660	-0.124	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@@H]2C[C@@H]2C(=O)NN)CO1	1961629282	OSCOESKXVNHYNT-XGEHTFHBSA-N	214.265	-0.194	50	10	BBGE	
CC1(Cn2cccc(B(O)O)c2=O)CC1	1975101148	NRZLSSIWAIEVOZ-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
O=C1CC2(C[C@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)O1	1977002784	FKUBVTJFTUAXKW-BQBZGAKWSA-N	244.268	-0.099	50	10	BBGE	
CCOCC1CN([C@@H](C(=O)NN)C(C)C)C1	1979179473	NHQWKDISWOXJEA-SNVBAGLBSA-N	229.324	-0.031	50	10	BBGE	
CCON(C)Cc1c(C(=O)NN)cnn1C	1980595630	YUOIXFTUDMSWKA-UHFFFAOYSA-N	227.268	-0.593	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]1CF	1981408613	CJLVWJRBZJCDEM-SSDOTTSWSA-N	225.032	-0.905	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	1982259889	DZBCSYMAGPWJLK-LPEHRKFASA-N	227.308	-0.421	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@@H]1F	1982804330	BMYCIWWPGKUNDJ-IUCAKERBSA-N	223.012	-0.337	50	10	BBGE	
CO[C@H](C)CCN(C)C[C@H]1C[C@H]1C(=O)NN	1984689534	YONAPTWQCRKQAJ-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CN(C[C@H]1CCN1C)CC1(C(=O)NN)CC1	1987091949	JGDGBIQPKFGAPC-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2C[C@H]1CN(C)C2	1987556411	JRPDZBRNXAJRIE-XKNYDFJKSA-N	226.324	-0.611	50	10	BBGE	
C[C@@H]1OC2(CN(C)[C@H](C)C(=O)NN)CC1C2	1989832761	INDLPZRNFRHLRL-KZNVNZARSA-N	227.308	-0.136	50	10	BBGE	
CN(CC(C)(CO)CO)C(=O)C=CC(=O)Cl	1991655769	ZTQDZJAHWAWAHC-UHFFFAOYSA-N	249.694	-0.243	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@@H]1O	1991706217	NDXBMBMRCMDPKC-HENSLRDNSA-N	246.694	-0.559	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1CCOC[C@@H]1F	1991732194	QLCXXCZKDIDAQQ-NTSWFWBYSA-N	242.197	-0.245	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN2CC[C@H]1C2)B(O)O	1992145045	FCMFEGNWZYTWTQ-WDEREUQCSA-N	224.113	-0.419	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C[C@H]2O)C1)C(=O)NN	1999847099	LGARDUWNDNIKJY-KXUCPTDWSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	2001471438	CIBOSXJKBRYGKT-VQVTYTSYSA-N	247.245	-0.226	50	10	BBGE	
CCN(C)C[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	2003904031	BCURIGKXCSQKJW-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C(C)C)C(=O)C1	2004023349	IUWJGWNAAIRAFK-VIFPVBQESA-N	242.323	-0.693	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CCO3)C2)c1	2004490860	OBXYUIKICSZVTQ-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
CC[C@@H]1CC(=O)N(CCOCC(=O)NN)[C@@H]1C	2004514365	OUHJLALQOKBXKL-RKDXNWHRSA-N	243.307	-0.360	50	10	BBGE	
C[C@H]1CC(=O)N(CCC(F)(F)C(=O)NN)C1=O	2008867296	OGFDTBUXDITSHV-YFKPBYRVSA-N	249.217	-0.603	50	10	BBGE	
C[C@H]1CNC(=O)CN1[C@@H](C(=O)NN)C(C)(C)C	2010571617	UMNKFLZPLSRXFJ-CBAPKCEASA-N	242.323	-0.789	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012017160	RYUXIAYRYBAETG-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](O)C[C@H]1COCCN1C[C@H](C)C(=O)NN	2013005812	NQJPPMFVZFNLOJ-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1CCOCC(=O)NN	2020205062	CMILKNOYMBTMHG-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12CCC[C@@H]1OCC2	2021157469	MUENDRWGEHEHRA-GXSJLCMTSA-N	237.064	-0.923	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@@H]1C=CCC1	2023193953	IQBOGAFYXDDJIZ-SSDOTTSWSA-N	230.036	-0.603	50	10	BBGE	
Cc1nn(Cc2cnc(C)n2C)c(C)c1B(O)O	2052196629	RCTKCUAQIFLHGB-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
Cc1nc(N2CCC[C@H]2C2CC2)ncc1B(O)O	2052554778	ZLEXDDXHAIFMPL-NSHDSACASA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1cc(OCc2ncccn2)ccc1F	2052690518	RIUMTIHIIYGNEK-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(OC)cc1B(O)O	2060054682	CJWPCAAYPVSXGN-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1c(F)ccc(B(O)O)c1[N+](=O)[O-]	2060092550	AQSUYMKCUBZKNI-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CN(CCF)C[C@H]1CC[C@@H]1C(=O)NN	2209906532	KKXMIHSHPHDPPZ-SFYZADRCSA-N	203.261	-0.096	50	10	BBGE	
OB(O)c1ccnc(NCC(F)F)c1	2210061592	WEMJPVFKWHHIFS-UHFFFAOYSA-N	201.969	-0.562	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(F)(CO)C1	2211839349	SWKIXSZYOMCYJK-YUMQZZPRSA-N	231.271	-0.981	50	10	BBGE	
CN(C)CCSc1nccc(B(O)O)c1F	2212601174	JYGITCVNCKGFGD-UHFFFAOYSA-N	244.100	-0.446	50	10	BBGE	
C[C@@H]1[C@@H](Nc2ncc(B(O)O)cn2)C[C@H]1C	2212603432	GACBFPHQFGWFOG-FJXKBIBVSA-N	221.069	-0.387	50	10	BBGE	
OB(O)c1ccnc(NCC2(O)CCC2)c1	2212611112	VHAFQJJSLYZXNR-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC23CCC3)nc1	2212614393	CNZIFDWOYXCUFF-MRVPVSSYSA-N	219.053	-0.489	50	10	BBGE	
CC=CCCCN=c1cc(B(O)O)cc[nH]1	2212615885	WDYXSHFPGGZUMR-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)c1ccc(=O)n(C)c1	2213168348	SGCFMUYCWZOHIE-SECBINFHSA-N	238.291	-0.410	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)CCC23CC3)CC1	2214780587	NXKTWCRPNFXQQN-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@H]32)CCC1	2216528550	PZGHRNDZNMOZOQ-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
Cc1cnc(NC[C@@H]2C[C@@H]2CO)cc1B(O)O	2217180976	MSBLBRHLQUTCPT-DTWKUNHWSA-N	236.080	-0.890	50	10	BBGE	
C[C@@](N)(COc1ncccc1B(O)O)C(F)F	2217186712	OBGUJYPHTNWQLO-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCCN1	2217192928	KACIPQPZRPZWDL-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCCN1	2217192930	KACIPQPZRPZWDL-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
N[C@H]1CCCC[C@H]1Oc1cc(B(O)O)ccn1	2217193254	LNUNELUFVLOCMO-VHSXEESVSA-N	236.080	-0.590	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CC[C@@H]2C)ncc1B(O)O	2220611377	DRSMQLKROZPUJT-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNCC23CCC3)c1	2223667050	QBSHWUKKPDCNIZ-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCC[C@H]2NCC3)nc1	2223670388	XETXVGKPJDDSEC-PWSUYJOCSA-N	247.107	-0.542	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@H]1CCN	2223672739	UXKKTLYXPVEJTF-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
CCN1CCN(c2cc(B(O)O)ccn2)C[C@H]1C	2223674730	MYJOIBRYSJVNCI-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
O=C1CCC2(CN1)CN(C(=O)CCl)C2	2241350760	MEYPAVVUOGHUHB-UHFFFAOYSA-N	216.668	-0.036	50	10	BBGE	
Cc1cc(C(=O)N(C)O)sc1B(O)O	2241473179	FICVWTGUPIFKAF-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@@H]1C[C@H]1Cl	2242280696	MODCTYHLVYGCCA-RNFRBKRXSA-N	217.652	-0.914	50	10	BBGE	
Br[C@H]1C[C@H](N=c2nn[nH][nH]2)C1	2242387467	AENDHBILTPAONC-JPYJGEKTSA-N	218.058	-0.041	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCSCC1	2243347253	JYJXRKCEIWMSFF-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
Cc1nnc([C@@H](C)NC(=O)C#CB(O)O)s1	2243348986	CYKSTYFBVIRXIR-RXMQYKEDSA-N	239.065	-0.961	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2243356608	KLWUYFJPRDMPRL-UHFFFAOYSA-N	220.037	-0.857	50	10	BBGE	
CC[C@@H](O)CN(C)C(=O)C1(B(O)O)CCC1	2243364247	TXQFLLWOEYRZMJ-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CO)CCC1	2243364580	ZGATYZRJGVVWTH-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)c(B(O)O)o2)C1	2243377725	GAABSLOHVDYUQB-UHFFFAOYSA-N	221.021	-0.720	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243377939	JRCLQZGSXHTJQX-SSDOTTSWSA-N	221.021	-0.981	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1sncc1B(O)O	2243385237	FMHGZRVIANBMAD-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
C[C@@H](C[C@@H](C)O)NC(=O)C1CC(B(O)O)C1	2243396179	ISUKHMAJCVBWJC-MZUZGICHSA-N	229.085	-0.485	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCNC1	2243410394	ATFXXVPDQPLYCE-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H]1CCC)B(O)O	2243412900	VWAUHIDHIZQTRM-VIFPVBQESA-N	247.125	-0.241	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1[C@@H]2COC[C@H]1C2	2243413830	OEFLKCYLGNYQLC-WZENYGAOSA-N	225.053	-0.761	50	10	BBGE	
CCC[C@H](C)NC(=O)c1sncc1B(O)O	2243415496	WHQUDOFFGITTKP-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
O=C(CCc1cccs1)NCC#CB(O)O	2243669783	WUSJBXLQMOLUGP-UHFFFAOYSA-N	237.089	-0.188	50	10	BBGE	
C=C(C)C(=O)Nc1ccc(Cl)c(B(O)O)n1	2243678367	IOKKOMZOUNIQPA-UHFFFAOYSA-N	240.455	-0.071	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)c(C)c1	2243685481	VQJIDAFCRKWGAN-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
CC[S@@](=O)NCc1ccc(B(O)O)cc1F	2243961333	AFZHSPBHULAYGL-MRXNPFEDSA-N	245.084	-0.721	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cocc1B(O)O	2244215570	DRBWSKYWTDBMSS-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
N[C@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2244710588	HZGBDBMDWVPVEO-BGZDPUMWSA-N	226.085	-0.907	50	10	BBGE	
COCCN(C)c1cc(B(O)O)c(Cl)cn1	2245912514	BLGAZEFODHNXFS-UHFFFAOYSA-N	244.487	-0.503	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@H]3C2)n1	2247140312	AWCHUOUKJPOPQQ-OCAPTIKFSA-N	234.064	-0.774	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CC(C)C1	2247738598	SLNIZUWDPKYIGW-UHFFFAOYSA-N	237.064	-0.204	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)oc1C	2247739193	YTHHMRXLMQECTG-VXNVDRBHSA-N	237.064	-0.204	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1ccc(B(O)O)o1	2247742072	KHLVDOMITBPZIH-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)[C@H]1CCCCO1	2247743708	IAOHLJTXTGENGG-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
C=CCO[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247756411	LXXQCLZETGRWQB-SECBINFHSA-N	239.080	-0.203	50	10	BBGE	
CN(C)C1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247788047	YLAAZPCYQXCTNJ-BQKDNTBBSA-N	240.112	-0.552	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247796904	DUUMEIACZYWWTC-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1C(=O)C1CC(B(O)O)C1	2247797055	FUZLREZTBYCQLR-XHHQTKHESA-N	240.112	-0.552	50	10	BBGE	
O=C(NCC(F)(F)F)c1ccc(B(O)O)cn1	2247846558	IQVHRXMBORHTQA-UHFFFAOYSA-N	247.969	-0.947	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2COC[C@H]2C1	2247859821	PXOSBQPONXQVOB-JLIMGVALSA-N	239.080	-0.656	50	10	BBGE	
O=C(NOCC1CCC1)c1coc(B(O)O)c1	2247871712	GOPWIGQLPDZCPE-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1C(=O)C1(B(O)O)CC1	2247878681	MDSLKUZFRXTLQZ-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
CCC1(CNC(=O)c2n[nH]cc2B(O)O)CC1	2247885484	MJQMPKIINMAWKE-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2C[C@@H]2C)c1B(O)O	2247890605	PZSUZVJTNNUYMS-JGVFFNPUSA-N	234.064	-0.792	50	10	BBGE	
CCCC[C@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247892992	KUTFQEIDNBROPZ-KXUCPTDWSA-N	242.128	-0.127	50	10	BBGE	
COCCN(CCC#N)C(=O)[C@@H]1C[C@H]1B(O)O	2247895676	UWOPRHUBDBSLCH-RKDXNWHRSA-N	240.068	-0.762	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2247896394	YZTWGINLMURMKF-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCc1ncccn1)[C@H]1C[C@H](B(O)O)C1	2247896550	ZNVNOMNGWONFLD-ZKCHVHJHSA-N	235.052	-0.654	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248577531	NOMAWATVNKNUEU-BQBZGAKWSA-N	243.068	-0.391	50	10	BBGE	
CC1(C)[C@H](C(=O)O)[C@H]1NC(=O)C1(B(O)O)CC1	2248578772	SGIPLUHJTHRQMT-NTSWFWBYSA-N	241.052	-0.781	50	10	BBGE	
NCCCC1(Oc2ncccc2B(O)O)CC1	2249258815	LVNXNBDDRKHCRE-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cccc(B(O)O)c1F	2255497826	IDOJFTSTKDLBPR-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1[C@H]2CC[C@H]12	2255514520	JYBJSPKQSWMQIP-UWVGGRQHSA-N	245.087	-0.187	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]1C1CCC1	2255672204	CKOFGLQVJPPECV-LLVKDONJSA-N	248.091	-0.291	50	10	BBGE	
Cc1c(COCC2CN(C)C2)cccc1B(O)O	2256338918	MFKJGUTYWJEHQS-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1cocc1B(O)O	2258129296	VILAQCZZRRTYJP-PRHODGIISA-N	249.075	-0.026	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H]2[C@@H](O)C[C@H]21	2297079434	IINVSLMANIKPEN-QYNIQEEDSA-N	225.697	-0.032	50	10	BBGE	
CC(C)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369835	GZNQSOSXLZWECG-QCLAVDOMSA-N	241.096	-0.221	50	10	BBGE	
C=CC[C@@](C)(CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375327	FQKZLDZIRHCPOP-WCABBAIRSA-N	241.096	-0.460	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)[C@H](C)[C@@H]1N	2298375736	YAWOUQWUMGWVKK-HOTMZDKISA-N	240.112	-0.567	50	10	BBGE	
C[C@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2301338070	FFQPARSMAWBQKQ-MRVPVSSYSA-N	234.064	-0.945	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)[C@@H]1CCOC1	2303835555	YPAIANYDXCKQDS-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CCOCC(=O)NN)[C@@H]1C	2304190802	PNFQVCUJVLDTQL-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
NC[C@@H](Oc1ccc(C=O)c(B(O)O)c1)C1CC1	2317351139	CZFPQUIDGIRYHU-GFCCVEGCSA-N	249.075	-0.705	50	10	BBGE	
CCCNC=C(C#N)C(=O)N(CCO)CCO	2324961592	VXALRZFIRZTVKN-UHFFFAOYSA-N	241.291	-0.793	50	10	BBGE	
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCl	37834214	RNLFQGAQTZEHIF-WDSKDSINSA-N	220.656	-0.938	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccncc1	43531460	IKEJJQRQPKZQJQ-ZCFIWIBFSA-N	208.221	-0.751	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSCCO)O1	82472508	WNERTRGDUGMWHK-BQBZGAKWSA-N	220.294	-0.751	50	10	BBGE	
CC(C)(CN1CCn2ccnc2C1)C(=O)NN	93727951	WKSWKYYXYJGGOP-UHFFFAOYSA-N	237.307	-0.285	50	10	BBGE	
NNC(=O)c1cc(CN2CCCCC2=O)on1	110599569	BEFMZGZELHVFNC-UHFFFAOYSA-N	238.247	-0.209	50	10	BBGE	
CC(=O)N(/C=C(/C#N)C(=O)NC(C)C)CCN	217183817	ZQJHXRAXSKKMIW-YFHOEESVSA-N	238.291	-0.274	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CC[C@H]2C1	228124446	CLJQXXCWNCTJME-BZNPZCIMSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H]1CC[C@@H](COc2cncc(B(O)O)c2)O1	232013284	KMLLWZGGWZASMJ-SCZZXKLOSA-N	237.064	-0.292	50	10	BBGE	
COC(=O)[C@H]1ON[C@@H](C)[C@@H](O)[C@@H]1Cl	238350096	AGDBPIAWOSUAEW-AZGQCCRYSA-N	209.629	-0.580	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252894411	ZEPOLFDJZHVODB-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1ccncc1	258966046	CQMATDLAQZQLKJ-VIFPVBQESA-N	208.265	-0.456	50	10	BBGE	
CCC(=O)N1CSC[C@H]1C(=O)NNC(C)=O	263930238	CIZCWEWECCTDGX-ZETCQYMHSA-N	245.304	-0.535	50	10	BBGE	
Nc1cc2cc(B(O)O)sc2cc1O	307208373	KGTRBSOLJLSICB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@H]1CCCCN1C(=O)C(=O)NN	307772384	VNZQPSDRWOZRDT-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CC(CC=NNC(N)=O)=NNC(N)=O	308334218	KVMNIIPLSGXOPV-UHFFFAOYSA-N	200.202	-0.925	50	10	BBGE	
NNC(=O)CCN1CCC[C@]12CCOC2	308994871	PGYDHQZRUZPQCG-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
N#CC1=C(N)C2=C(N)CC(N)=NC2=NC1=S	309227262	ULFXFAVGOJATFA-UHFFFAOYSA-N	232.272	-0.564	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1c1nncn1C	380217658	VKXPULXNNZRQCG-YUMQZZPRSA-N	238.295	-0.670	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C)[C@@H]1C	380340802	MORBOFLBYOGMHR-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
OB(O)C1=CN=C2N=C(C(F)(F)F)C=N[C@@H]12	381436658	YATSTGQRVFWHLF-YFKPBYRVSA-N	230.942	-0.249	50	10	BBGE	
Nc1ccc(B(O)O)c2scc(C(=O)O)c12	396235486	BHVMVQDADWMSKB-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc2cc(B(O)O)c(C(=O)O)cc2s1	396243316	OHDUIMSJAMCVRX-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC(C)[C@H](SCCC(N)=O)C(=O)NN	399186588	WDRBIVFAJMOTLT-ZETCQYMHSA-N	219.310	-0.391	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)C[S@@](C)=O	399996819	XALBUBNHRLAIPA-AGRCIMAESA-N	249.380	-0.300	50	10	BBGE	
C[C@@H](CC(=O)NN)SC[C@@H]1CN(C)CCO1	400784311	QUDVRLLLFYXCKV-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	405018117	CPGSBAGZUYHLCD-KWQFWETISA-N	233.076	-0.361	50	10	BBGE	
C=CCNC(=O)NCc1ccc(B(O)O)s1	405166830	NKIBXZVGGDHIIS-UHFFFAOYSA-N	240.093	-0.587	50	10	BBGE	
CNCCSCC(F)(F)C(=O)NN	685956705	ZOBIWYIRVDJRLM-UHFFFAOYSA-N	213.253	-0.436	50	10	BBGE	
CC[C@H](CCl)NC(=O)c1nnn(C)n1	697204266	OZAWBXUYHBYMKZ-RXMQYKEDSA-N	217.660	-0.043	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C[C@@H](O)CCl	698121155	YLUVFVWFTJWUKH-XHNCKOQMSA-N	223.700	-0.596	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H](C)[C@@H](O)CO	698872594	LICJEAUOPPFBEM-ZLUOBGJFSA-N	240.097	-0.372	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CN(C)C(=O)C(=O)NN)[C@@H]1C	701347466	HSDDZTJDDGJJPL-BZNPZCIMSA-N	243.307	-0.506	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@@H]2C[C@@H]2C1	702426242	OKFZIXVLHKOBHA-BRPSZJMVSA-N	246.075	-0.254	50	10	BBGE	
CNNC(=O)[C@@H]1CCCN(C(N)=O)C1	704664403	FJZUNYUSSUJOIV-ZCFIWIBFSA-N	200.242	-0.972	50	10	BBGE	
CNNC(=O)CCNC(=O)C(C)(C)C	704665844	RHTAVJSORKHVJL-UHFFFAOYSA-N	201.270	-0.211	50	10	BBGE	
Cc1cocc1C(=O)Nc1cccc(B(O)O)n1	705217144	HQUSNBVARLRNDJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@H]1COC[C@@H]1O	708110750	GKTPWSXSRUFWMB-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CN1C[C@H]2CSC[C@@H]2C1)C(=O)NN	711525190	JYBSQZODLBFCMP-VGMNWLOBSA-N	229.349	-0.093	50	10	BBGE	
COC[C@H](Cl)CCNCCn1cnnn1	712592466	RPJAEGRLENYXLE-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ncccn1	718910907	SIZPXADBTWHNTM-SSDOTTSWSA-N	209.253	-0.713	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1cncs1	719041465	FYPZIHKPDYEWQW-SSDOTTSWSA-N	214.294	-0.394	50	10	BBGE	
C[C@H](CN1CCS[C@@H](CO)C1)C(=O)NN	720069807	QACIILUCMPCLJU-HTQZYQBOSA-N	233.337	-0.978	50	10	BBGE	
CN1CCC([C@H]2OCC[C@H]2C(=O)NN)CC1	721313107	DOVHPGZEXHBIJK-NXEZZACHSA-N	227.308	-0.277	50	10	BBGE	
C[C@]1(CO)CCCCN1CCC(=O)NN	723022057	LGFHSGWASAOHOP-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=Cc1ccoc1	863189869	VZTSHHPJLWRCMY-UHFFFAOYSA-N	230.245	-0.226	50	10	BBGE	
CCn1ncc(C(=O)NN(C)C[C@@H](C)O)n1	910145570	VMNXDOUEZGMXBL-SSDOTTSWSA-N	227.268	-0.745	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C=O)n(C)c1	930732106	ZAXRZEZDHSMTSY-UHFFFAOYSA-N	238.247	-0.199	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=S)NC(C)C	1119526774	HEJWMQSRUUDOSQ-IQXGSHKSSA-N	231.321	-0.173	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)NCC1CC1	1292130589	JERQQQCFWXYJGG-MRVPVSSYSA-N	239.275	-0.235	50	10	BBGE	
CCC[C@@H](NC(N)=O)C(=O)NN(C)[C@@H](C)CO	1299923459	MSNRBSSAPNBZKJ-JGVFFNPUSA-N	246.311	-0.833	50	10	BBGE	
CN(NC(=O)[C@H](O)c1ccccn1)C(N)=O	1321139077	BEFOBSRGWIUVRQ-SSDOTTSWSA-N	224.220	-0.843	50	10	BBGE	
CCCNC(=O)NNC(=O)c1n[nH]cc1F	1442414591	OIUXULRXNOILGD-UHFFFAOYSA-N	229.215	-0.097	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H]1CCN1CC	1597277358	GLBDSRAGEQFACA-MRVPVSSYSA-N	228.296	-0.227	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)c1ncccn1	1597856931	MYXOOTLPGNCJIQ-ZCFIWIBFSA-N	224.220	-0.728	50	10	BBGE	
CN(NC(=O)CCN1CC[C@H](F)C1)C(N)=O	1630878332	OIMPIIYIJATQFW-ZETCQYMHSA-N	232.259	-0.538	50	10	BBGE	
CS(=O)(=O)N[C@H](CCCl)C(=O)O	1881573350	FOUCEMSNLLUJJP-SCSAIBSYSA-N	215.658	-0.382	50	10	BBGE	
NC(=O)C1(O)CN(C[C@@H]2C[C@@H]2Cl)C1	1883550946	HMYZBGIURXMWGU-WDSKDSINSA-N	204.657	-0.854	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2Cl)CC(=O)N1	1883554995	WXWYSWXKDFBTHB-NTSWFWBYSA-N	202.641	-0.428	50	10	BBGE	
NCCN(CCO)C(=O)[C@H]1C[C@@H]1Cl	1883644920	KJPKRORAACOXSC-BQBZGAKWSA-N	206.673	-0.607	50	10	BBGE	
C[C@H](CSC[C@@H]1CCNC1)C(=O)NN	1890943482	XVKJPQALJDPRQJ-HTQZYQBOSA-N	217.338	-0.045	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1895382076	PXHSUWNTNQTPDH-SVRRBLITSA-N	220.037	-0.644	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21	1896420029	HAITUBYMTXDHOA-UFFKNHFXSA-N	225.292	-0.526	50	10	BBGE	
CNC1(C(=O)NN(C)S(=O)(=O)C2CC2)CC1	1901342860	RQQDISPVLBLZAK-UHFFFAOYSA-N	247.320	-0.806	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@]12C[C@H]2N	1901377235	LOQHNSRMARFEAJ-LKEWCRSYSA-N	247.320	-0.964	50	10	BBGE	
C=CC1(O)CN([C@@H](C)CCCC(=O)NN)C1	1901762552	IAVLBPTVYFWYHF-VIFPVBQESA-N	227.308	-0.232	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@@H]1CF	1909490516	ZHETYJFMPDEFAX-RNFRBKRXSA-N	238.027	-0.695	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOCC12CC2	1915592223	MIWLSYLOHUPKDP-UHFFFAOYSA-N	235.234	-0.524	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C(F)(F)F	1923233811	VRVOTNIXDNDBNT-BYPYZUCNSA-N	210.948	-0.376	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@@H]2C1	1927817274	ZWNWEUIZJUOSCA-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
C=C(CCl)CN1CCOC[C@H]1[C@@H](O)CO	1928574225	TUCPNOYUISUHTB-UWVGGRQHSA-N	235.711	-0.165	50	10	BBGE	
CC1(C)SCC[C@@H]1CNC(=O)C(=O)NN	1931176735	HFMKJULWSLXJOZ-ZCFIWIBFSA-N	231.321	-0.376	50	10	BBGE	
OCCOC1CN(C[C@H](O)CCl)C1	1932098986	FFDIQRKAGBAIPW-SSDOTTSWSA-N	209.673	-0.721	50	10	BBGE	
N[C@H](B(O)O)c1ccc2c(c1)COCC2	1932360492	VMNKPJKRSVQMSY-JTQLQIEISA-N	207.038	-0.229	50	10	BBGE	
CN(Cc1cnnn1C)C[C@H](O)CCl	1934949211	ZVTJOESVMPOMAU-MRVPVSSYSA-N	218.688	-0.153	50	10	BBGE	
Cc1nnc(SC[C@@H]2C[C@H]2C(=O)NN)n1C	1936090054	GCWPASMRSKBHMC-NKWVEPMBSA-N	241.320	-0.158	50	10	BBGE	
Cc1cc2n(n1)CCN([C@H](C)C(=O)NN)C2	1936913795	DCGUOJFQVLEQIV-MRVPVSSYSA-N	223.280	-0.614	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2CCC[C@@H]21	1937415820	RGGSBOROPGRGBY-RITPCOANSA-N	233.218	-0.378	50	10	BBGE	
CCOC(C)(C)COCCOCC(=O)NN	1937874294	ZCLKSZIOWFGQQO-UHFFFAOYSA-N	234.296	-0.175	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(O)(C2CCC2)CC1	1940292373	WHCSUZDNDMZSKA-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OC(=O)N(C)C)C1	1942664533	XOTMEZNYMNEDGN-QMMMGPOBSA-N	244.295	-0.863	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)C[C@@H]1O	1945884045	KNNWTGWAMWWUQB-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946406427	IAAOJEFUHPBILS-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C(=O)N1C[C@]23CCC[C@@]2(COC3)C1	1947541502	XAEIXBNIANDZJE-QWRGUYRKSA-N	239.275	-0.995	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](CO)[C@H](O)C#N	1951361688	WNFICBUCMZRMKP-NKWVEPMBSA-N	216.237	-0.244	50	10	BBGE	
O[C@H](CCl)CN1CCN(C2COC2)CC1	1961189509	QXUODNJOHNJRHJ-SNVBAGLBSA-N	234.727	-0.398	50	10	BBGE	
CCN(C1CCN(C)CC1)[C@H](C)C(=O)NN	1976059140	GPQDMBWQNZGJQS-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1C[C@@H]2CSC[C@@H]2C1	1976989259	SSCIUYBEMMZKEV-JIGDXULJSA-N	243.332	-0.424	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	1980723532	UCVBSIICZGLKGR-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@@H]2COCC[C@H]21	1980828680	PMSDCVGWQWVIBQ-IWSPIJDZSA-N	245.348	-0.429	50	10	BBGE	
CC(C)C[C@H](C)Oc1ncc(B(O)O)cn1	1981431432	ZBAIMFNXPOQBCQ-QMMMGPOBSA-N	224.069	-0.030	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)CC1(F)F	1981469800	YPBZGPNWTYHRTB-RXMQYKEDSA-N	248.063	-0.086	50	10	BBGE	
CCCN(OC)c1nc(C)ncc1B(O)O	1981470754	DHSRWZSAICUUGP-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
Cc1nc(O[C@@H]2CC2(F)F)ncc1B(O)O	1985885237	VWCWRWFRIOZTBF-ZCFIWIBFSA-N	229.979	-0.749	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CCO[C@H]2C1	1986660556	NWSSQOCDDZBVCX-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
C#CCN(CC#CC)CC(=O)NNC(C)=O	1990774999	QBPUPZQZJSYIDA-UHFFFAOYSA-N	221.260	-0.888	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](CO)C[C@@H]1CO	1991651086	RDWRLUCPCHYHRK-HTQZYQBOSA-N	247.678	-0.490	50	10	BBGE	
COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1Cl	1991678573	GMVVGQIUROOYTR-HSUXUTPPSA-N	249.650	-0.254	50	10	BBGE	
Cn1[nH]c(CN)nc1=NC(=O)C1CC(Cl)C1	1991699814	JXKURZZGYJRIPC-UHFFFAOYSA-N	243.698	-0.348	50	10	BBGE	
CN(CCC(=O)NN)C[C@]1(C)CSCCO1	1993432610	WCOVEVVQZQPSHW-SNVBAGLBSA-N	247.364	-0.180	50	10	BBGE	
O=c1c(B(O)O)cccn1CC=C1CCC1	1993501461	ZUWXYKVYWLYVHK-UHFFFAOYSA-N	219.049	-0.362	50	10	BBGE	
C#CCN1CC[C@H](N2CC(=O)OC(=O)C2)C1	1994243165	MZSOFAZQDDFDCP-VIFPVBQESA-N	222.244	-0.921	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](c2nccn2C)C1	2004406119	DVCDCJIMPMOKJW-IUCAKERBSA-N	237.307	-0.412	50	10	BBGE	
C[C@@H]1CCC[C@@H]1N(C)c1ncncc1B(O)O	2004911464	HLYSJGONFOFRTE-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
CN(Cc1ccoc1)c1ccc(B(O)O)cn1	2004916100	HUJIDZQLZRBNEL-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
CCC[C@@H]1CCN(c2ncncc2B(O)O)C1	2004921151	SDEGSVWNSNYUOW-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CC[C@@H](COC)Oc1ncnc(C)c1B(O)O	2004924544	DBOQVRLZKPXIKI-QMMMGPOBSA-N	240.068	-0.731	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@]1(C)COCCO1	2005977837	MQBDDUGCTMOWIP-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CN(C)C[C@@]1(C)COCCO1)C(=O)NN	2005977842	MRECAHBUNVMYLS-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@H]3C[C@H]2CO3)C1	2010834225	ABZGSAWJRXICKB-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C2(CC2)C(=O)N1	2014890587	YSXLFHPPPSBALD-YUMQZZPRSA-N	240.307	-0.892	50	10	BBGE	
CCc1cc(CN(C)CCC(=O)NN)n(C)n1	2017406155	ZQFYPJPYMPGTPD-UHFFFAOYSA-N	239.323	-0.206	50	10	BBGE	
C=CCC(=O)NCCc1cccc(B(O)O)c1	2025208288	RKBDWAKOPXNXSD-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
Cc1cc(NC(=O)c2cnco2)cc(B(O)O)c1	2031810803	BUWCTONBRWODGH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ncc2c(n1)CN(CC1(C(=O)NN)CC1)C2	2085305701	PJGKKNFQEQNYID-UHFFFAOYSA-N	247.302	-0.129	50	10	BBGE	
OB(O)c1ccc(O[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)nc1	2086995225	QDEXHHPTJJPWEH-ZYLJGPGZSA-N	243.071	-0.350	50	10	BBGE	
CN(C)NC(=O)c1nn(C)nc1Br	2209207492	IZFUCQVHRNAHLU-UHFFFAOYSA-N	248.084	-0.216	50	10	BBGE	
CCN(CC(=O)NN)[C@@H]1CCC[C@@H]1O	2209418070	YQUURHBUOXEQHT-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CCN(C)S(=O)(=O)N[C@@H]1COC[C@H]1Cl	2209849202	LDJLUDPOBWXBKH-RNFRBKRXSA-N	242.728	-0.221	50	10	BBGE	
NNC(=O)C1(Cn2cccnc2=O)CCC1	2212265274	GNIBSKIJUGLFCM-UHFFFAOYSA-N	222.248	-0.597	50	10	BBGE	
CC=C=CCCN=c1ccc(B(O)O)c[nH]1	2212604942	VBMZKZMLIMOITL-UHFFFAOYSA-N	218.065	-0.284	50	10	BBGE	
C#C[C@H](CCC)Oc1ncccc1B(O)O	2212605106	XVHQYZQYOORLNW-SECBINFHSA-N	219.049	-0.058	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1cc(B(O)O)ccn1	2212610091	CDFXMCGWKPKJDO-HTQZYQBOSA-N	224.069	-0.810	50	10	BBGE	
CCC[C@@H](CN)Oc1cc(B(O)O)ccn1	2212611610	CKHJLRIJBCVPIM-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
COCC1(C(=O)O)CC(NC(=O)NN(C)C)C1	2213267679	TVGXUGMXOBXGSZ-UHFFFAOYSA-N	245.279	-0.358	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2213954796	LMOMWHKAYBLNFJ-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2215131612	ACECPGKQRKEBEU-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CCOc1cnn(-c2cc(B(O)O)ccn2)c1	2217170070	NPGBVHDOMXHLFI-UHFFFAOYSA-N	233.036	-0.654	50	10	BBGE	
OB(O)c1ccc(=NCCC2CC=CC2)[nH]c1	2217172541	LBEBZLOBZYIFLC-UHFFFAOYSA-N	232.092	-0.049	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc1	2217178143	RZDSCGVENGSKLV-OYNCUSHFSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1nccc(B(O)O)c1F	2217179834	BVBWJSKXZYNYCG-RNFRBKRXSA-N	242.034	-0.163	50	10	BBGE	
Cc1cc(Oc2ncccc2B(O)O)n(C)n1	2217185004	XNMFIHYHIPNIIY-UHFFFAOYSA-N	233.036	-0.404	50	10	BBGE	
CC[C@]1(Oc2ncccc2B(O)O)CCNC1	2217185445	XMVWSBQTRXWOKJ-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217190862	AHMLOZQKDCQTKA-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCOC2)c1	2217193456	MYCOQADCTDGCML-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
CCN1CCC[C@H]1CNc1ncccc1B(O)O	2223632954	QBMBAMLPFDVSDD-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
C[C@H]1OC2(C)CC1(Nc1ncccc1B(O)O)C2	2223635493	XTYXYRMYCDZFJK-HUUUCTMMSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1COC[C@H]1C1CC1	2223639110	PPBSQMYLGLCGGQ-ONGXEEELSA-N	248.091	-0.402	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1Nc1ccc(B(O)O)cn1	2223640866	ZITRXKUEEWTILB-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccc(NC[C@]23CC[C@@H]2CNC3)nc1	2223641326	STVYIRBTBHMCKT-BXKDBHETSA-N	247.107	-0.827	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1c1ccc(B(O)O)cn1	2223653970	WLIVGNDOSHYHSF-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@]1(C)CN	2223679853	VMKNKVCXGDGCOZ-BXKDBHETSA-N	249.123	-0.818	50	10	BBGE	
CC1(NS(=O)(=O)N2CC(Cl)C2)COC1	2241331594	LUQZSDCLHHCDLW-UHFFFAOYSA-N	240.712	-0.467	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC=CCl)c1	2242571784	NIIMREXLDDHJOX-UHFFFAOYSA-N	212.445	-0.652	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@]2(O)C[C@@H]2C1	2242834224	QLDRMCTZCDEOLV-MWLCHTKSSA-N	227.308	-0.397	50	10	BBGE	
CC(=O)c1csc(NC(=O)C#CB(O)O)n1	2243362715	VMKVTHIGTVSLEH-UHFFFAOYSA-N	238.033	-0.700	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@]12CC2(F)F	2243362870	XRIBVPLMPNOFHS-POYBYMJQSA-N	228.991	-0.837	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cc(B(O)O)sn1	2243378551	VLEXCEYNPWRPFH-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243393034	ZQIMXSUSCPCCEM-BQBZGAKWSA-N	223.037	-0.469	50	10	BBGE	
COC[C@@H](C)NC(=O)c1cscc1B(O)O	2243398944	VQRMOAMHHVETJK-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
C[C@@H]1CCS[C@@H]1CN(C)C(=O)C#CB(O)O	2243399774	QIYLUFBLKVJAMQ-RKDXNWHRSA-N	241.121	-0.398	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243403700	BFQUUGKNTGYRDI-BIIVOSGPSA-N	225.053	-0.223	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)C1(B(O)O)CCC1	2247732276	DYEHZYXDCIVESW-VIFPVBQESA-N	241.096	-0.387	50	10	BBGE	
C=C1CC(N(C)C(=O)c2coc(B(O)O)c2)C1	2247735376	MGYIVMDYIPGJJB-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@H]1O)C1(B(O)O)CC1	2247751269	VROSQQDXAUBALE-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
O=C(NCCCc1cn[nH]c1)C1(B(O)O)CC1	2247755347	JHZPXOPMUHPCFM-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1occc1B(O)O	2247757940	YLQCGTLBLFSJDF-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785393	KEWMOQRJGSWAHA-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247785636	OFRBKBIIQPJZCZ-ZOZBQHSOSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@@H]1B(O)O	2247791029	KSUYDBZOVPICQJ-SVSWQMSJSA-N	238.096	-0.752	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C(=O)[C@H]1C	2247791895	PLLOPCGCBMFPBK-XAVMHZPKSA-N	239.080	-0.120	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CCCO2)C1	2247792694	UNLGPOOXUSTALD-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CCO1	2247797162	GSMBHLSDNLNARJ-SEZDTBSWSA-N	241.096	-0.077	50	10	BBGE	
CC(C)CC1(O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247799107	ZUOFARAJIGHXGD-IUCAKERBSA-N	241.096	-0.531	50	10	BBGE	
Cc1ncoc1CNC(=O)C1CC(B(O)O)C1	2247806146	MFWVXXBVAARCIF-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247807476	IIEHLAFLLZVLIL-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCCc1ccno1)[C@H]1C[C@H](B(O)O)C1	2247808751	MKMRDTKKTDYMND-ZKCHVHJHSA-N	238.052	-0.414	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2[C@@H](C1)C2(F)F	2247809980	SVTZTKVJEGAJHB-DWYQZRHDSA-N	245.034	-0.037	50	10	BBGE	
CCOC1(C)CCN(C(=O)C#CB(O)O)CC1	2247849976	HZIHREMAINMPKT-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
C[C@@H](Cc1cccnc1)NC(=O)C#CB(O)O	2247850220	LNFRJSLCGHLOQV-VIFPVBQESA-N	232.048	-0.856	50	10	BBGE	
C[C@]1(CNC(=O)C#CB(O)O)CCCC1(F)F	2247850765	SMVWDYKQSSDWFF-SECBINFHSA-N	245.034	-0.057	50	10	BBGE	
Cc1ccc(C(=O)N2CC=CC2)cc1B(O)O	2247856786	NVXBINHHGYSIBU-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC(C)(C)C)n1	2247870134	FKPVAQHECUSMTN-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
C=CCN(C)C(=O)c1cc(C)ccc1B(O)O	2247875019	RJYHTRYDQWMDPG-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
O=C(N[C@@H]1CCN(C2CC2)C1)C1(B(O)O)CC1	2247878660	MCAPFZMAIGTBSU-MRVPVSSYSA-N	238.096	-0.654	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1NCC2)[C@H]1C[C@H]1B(O)O	2247886719	FRBFTFPUEYPUQQ-DKIAZLNASA-N	238.096	-0.750	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2247888035	VEXMPOHZHJDEPO-SBHDMEHLSA-N	235.092	-0.038	50	10	BBGE	
Cc1ccnc(C(=O)N(C)CCF)c1B(O)O	2247890558	PEOSSXPCHVGOGP-UHFFFAOYSA-N	240.043	-0.889	50	10	BBGE	
Cn1nccc1CNC(=O)C1CC(B(O)O)C1	2247892162	VHHKEFGRJBNRKR-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
COCC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247897505	UCGSQBATHFIBBE-BDAKNGLRSA-N	241.096	-0.218	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCOC1	2247899966	RVQXOVYWVVEHFI-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1nccnc1B(O)O	2248056170	PXEQHOWDZRGDQE-SSDOTTSWSA-N	237.068	-0.973	50	10	BBGE	
CC=CCNC(=O)c1ncc(B(O)O)cc1C	2248969571	FWKBTSXUYGBBPR-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
CC[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2249419031	BTMAMMQPPGETNC-JTQLQIEISA-N	237.064	-0.122	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1cocc1B(O)O	2249421993	ATHAHPLSFJQLFG-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]1C(F)(F)F	2249999246	SZZZMSLYCLANRO-RQJHMYQMSA-N	248.997	-0.294	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC(C#N)C2)c1	2255513063	KRHCEOHMJVOXED-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
Cc1ccc(C(=O)N2CC=C(F)C2)c(B(O)O)c1	2255514491	JHHWORZFOKCWTK-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cc1	2255571609	QGJHLPCTRYSTKY-DTWKUNHWSA-N	248.047	-0.413	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ncccc2B(O)O)[C@H]1C	2255722457	OSALDIYVJCMSKY-YUMQZZPRSA-N	248.091	-0.607	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ncccc1B(O)O	2255722899	VJRXGQJWLQKCAH-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
C[C@]1(NC(=O)c2ccncc2B(O)O)C=CCC1	2255724899	IVJFQPWPAAQUDN-LBPRGKRZSA-N	246.075	-0.400	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]1CC1CC1	2255731378	FIFUHEWBWKVQBS-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1O[C@H]2C=C[C@H]1CC2	2258125196	NFFCNKVIZWLEOF-IUCAKERBSA-N	249.031	-0.566	50	10	BBGE	
Cc1cc(C)n(CC(=O)NCCC#CB(O)O)n1	2258972968	DMWUHZAOCCNXNF-UHFFFAOYSA-N	249.079	-0.978	50	10	BBGE	
O=C(C#CB(O)O)NCCCc1ccc(F)cc1	2260106465	RLTGZYKPKNPQOZ-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H](CO)c1ccccc1	2264304551	TVZZIKBRVMXYLW-NSHDSACASA-N	247.059	-0.806	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297961222	NHNOZTHSHZXFBC-YTWAJWBKSA-N	241.335	-0.296	50	10	BBGE	
CC[C@H](N)COc1ccc(B(O)O)cc1C#N	2301338711	LTHFFJQCPZAIJF-JTQLQIEISA-N	234.064	-0.646	50	10	BBGE	
C=CCN(OC)c1ccc(C=O)c(B(O)O)c1	2301452955	OKRRXYJMRSOXHA-UHFFFAOYSA-N	235.048	-0.267	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](CNC(=O)C#CB(O)O)(C2)O1	2303266527	VDTFBPZOGNMEEN-ATZCPNFKSA-N	237.064	-0.924	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306256368	KMQATHZVJYXNGS-CIQUZCHMSA-N	239.080	-0.779	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(B(O)O)ccn1	2312614269	FLUSRDIQBNVSRV-GDPRMGEGSA-N	247.107	-0.923	50	10	BBGE	
N#CCCC1CN(C(=O)c2cc(B(O)O)co2)C1	2316043652	HWWZKTFQKGZNHX-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
COCC1(Nc2ccc(B(O)O)cc2C#N)CC1	2317160356	CMHOCRJHLMVXRP-UHFFFAOYSA-N	246.075	-0.171	50	10	BBGE	
CN(CC(C)(C)O)c1ccc(B(O)O)cc1C#N	2317161798	GDJFLZZPHMLQEE-UHFFFAOYSA-N	248.091	-0.555	50	10	BBGE	
O=Cc1ccc(NC2CC(CO)C2)cc1B(O)O	2317315956	GSXUEWCCTKDHOJ-UHFFFAOYSA-N	249.075	-0.638	50	10	BBGE	
CN(C)S(=O)(=O)N1CCCC[C@H]1N=C=O	20257999	QZMBHDGWZGFIGV-QMMMGPOBSA-N	233.293	-0.059	50	10	BBGE	
O=C1OC[C@H]2[C@H](O)[C@@H](Br)[C@@H]12	34543739	BKABFSAMXLGLMU-STGXQOJASA-N	207.023	-0.086	50	10	BBGE	
CCNC(=O)CNC(=O)NC(=O)CCl	36779873	VBWYXOGLBYMYNN-UHFFFAOYSA-N	221.644	-0.813	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NN	37388539	FGIYAEVMISGHEL-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
COc1ccc(CN(C)C(=O)C(=O)NN)cc1	42442455	DCBMFEOCTHFMNK-UHFFFAOYSA-N	237.259	-0.357	50	10	BBGE	
NCC(=O)NNC(=O)Cc1ccc(Cl)cc1	49830750	ICWFFVNRLZDXKA-UHFFFAOYSA-N	241.678	-0.011	50	10	BBGE	
COC1CCN([C@@H](C)C(=O)NN)CC1	82467379	OKTNJJWSSZZUCY-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](C)COC	82469589	CGHMUHNIFHVOQH-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]2CCC[C@H]21	82469824	FUSCNCXPGRPMFO-RKDXNWHRSA-N	213.281	-0.380	50	10	BBGE	
CC(C)N(CCCO)CCC(=O)NN	82471203	KAEMEGJICDMBRS-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)CCCS1	87797492	ZHHSXIVXPUROQI-MRVPVSSYSA-N	217.294	-0.622	50	10	BBGE	
NNC(=O)c1ccc(CO[C@H]2CCOC2)nc1	94763553	YWSQWVRGJGMHTH-JTQLQIEISA-N	237.259	-0.009	50	10	BBGE	
C[C@@H](C(=O)NN)n1nc2n(c1=O)CCCCC2	113189826	CBAOBULILKCEEE-ZETCQYMHSA-N	239.279	-0.678	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1=COCCC1	113427639	PNKPVRROCLELPQ-UHFFFAOYSA-N	227.264	-0.610	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCCC[C@@H]1O	158244909	VSAARDLIUGAJLT-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
COCC(=O)NCCNC(=O)CCl	169919325	HPGKFDDDATURKB-UHFFFAOYSA-N	208.645	-0.896	50	10	BBGE	
CC(C)(C)S(=O)(=O)c1ccccc1B(O)O	196290822	QNWAQPUNFWYYEP-UHFFFAOYSA-N	242.105	-0.061	50	10	BBGE	
Cc1nccn1CCOc1cccc(B(O)O)c1	198929643	RNUSRWRVYPXFCS-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
OB(O)[C@H]1CCCN1C(=S)[C@@H]1CCCN1	207112808	VQMXYVPCSGICBN-JGVFFNPUSA-N	228.126	-0.458	50	10	BBGE	
Cn1ncnc1SCc1ccccc1B(O)O	228082804	OONFXJIIJBOPLA-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
CC(=O)N[C@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	228341426	LQGPVXCKJXDKSS-VHSXEESVSA-N	242.323	-0.789	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)N1CC(=O)OC(=O)C1	235692517	JPCFTVWCZJINOB-GMSGAONNSA-N	213.233	-0.061	50	10	BBGE	
NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2	238557310	WJVQYGMISAAMLE-XAMCCFCMSA-N	210.233	-0.111	50	10	BBGE	
CN(NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2)C(N)=O	249659169	VUWQRWBGUYBJBX-XSSZXYGBSA-N	227.264	-0.014	50	10	BBGE	
CC(C)[C@@H](SCC(=O)N(C)C)C(=O)NN	300824587	JISXLKJVEKUMDK-MRVPVSSYSA-N	233.337	-0.178	50	10	BBGE	
OB(O)c1c(F)cncc1C(F)(F)F	307450508	PIUYKBAHVAPMPB-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
OB(O)c1ccc(CN2CCN3CC[C@H]2C3)cc1	381722511	VDIULFMOAZJZCH-ZDUSSCGKSA-N	246.119	-0.744	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](CC)CO	393954435	UMASKSJWOBOUNU-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(B(O)O)cc1O	396026859	WZWRYQWQRQHMQQ-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCOC1	398904981	FQNZUGCBSLPWRW-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
C[S@](=O)CCN[C@H]1COC[C@H]1Cl	400645410	QRTBOOWYXPWKLS-LTMDPNIMSA-N	211.714	-0.039	50	10	BBGE	
CC(=O)N(C)Cc1cc(B(O)O)cs1	405026344	MFQXUQZEJLHEHL-UHFFFAOYSA-N	213.067	-0.594	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]1(C)CCOC1	687519719	OVLHXURBQZUWFC-WCBMZHEXSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H](O)C2)cs1	689557624	QRYBWPZXSVBPDY-MRVPVSSYSA-N	241.316	-0.082	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C(C)(C)CO	690901284	FMGWIGXSFBPQGO-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
NC(=S)NNC(=O)Cc1ccccn1	700858259	MUCWTSZQNGQRNC-UHFFFAOYSA-N	210.262	-0.512	50	10	BBGE	
NNC(=O)CCCN1CC2(CCCO2)C1	702939241	OVFKZOHCESHJID-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706114826	LNHIYTPNOCKRPA-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCNC(=O)C[C@H]1C	707347184	PQSQYBMWPOJPEN-PSASIEDQSA-N	242.323	-0.789	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)CCCCl)C1	714439487	QDGYSXXUBFBNGZ-UHFFFAOYSA-N	235.667	-0.248	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)[C]1CC=CS1	725538776	FYTJIZXFXPIYCZ-YFKPBYRVSA-N	214.270	-0.336	50	10	BBGE	
O=C1NCCC[C@@H]1CNS(=O)(=O)CCl	725704042	SNUCVZANUFBEDU-ZCFIWIBFSA-N	240.712	-0.372	50	10	BBGE	
CCOCCOCC(=O)NNc1cnccn1	734245227	QRESBORLDOHGMI-UHFFFAOYSA-N	240.263	-0.027	50	10	BBGE	
CC[C@H](C)NC(=O)NNC(=O)[C@H]1COCCO1	745244890	QMKOXFWRGOEOKA-JGVFFNPUSA-N	245.279	-0.469	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C1(OC)CC1	843848814	CWKTZUOQPJEUED-UHFFFAOYSA-N	215.253	-0.142	50	10	BBGE	
COCCN(C)NC(=O)c1cccnn1	861657547	ZRUWYKNKOFBREP-UHFFFAOYSA-N	210.237	-0.300	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(C)C[C@@H](O)CN1C	908115169	NKOGXDNDQKWYPE-MWLCHTKSSA-N	245.323	-0.949	50	10	BBGE	
Cc1[nH]nc(C(=O)NNc2cnnn2C)c1C	1117723505	FXMKMUYQBNSVJR-UHFFFAOYSA-N	235.251	-0.088	50	10	BBGE	
Cn1cc(CNC(=O)NNc2cccnn2)nn1	1328657894	XANCPFJPEJVNEJ-UHFFFAOYSA-N	248.250	-0.569	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)[C@@]1(C)CCCO1	1347913813	BHEDDKJXDAYPRW-GZMMTYOYSA-N	244.291	-0.280	50	10	BBGE	
N#CCCNC(=O)NNC(=O)c1ncccn1	1478544373	BIGXSVJBYOJEHO-UHFFFAOYSA-N	234.219	-0.666	50	10	BBGE	
COc1c(C(=O)NNC(=O)C2CC2)cnn1C	1538513600	AQBHXBZEJLYMCM-UHFFFAOYSA-N	238.247	-0.400	50	10	BBGE	
N#C[C@]1(C(=O)NNC(=O)CO)CC12CCCC2	1611095012	WWQDEUMOYRIBJW-NSHDSACASA-N	237.259	-0.400	50	10	BBGE	
NC(=O)CCCCC(=O)NNc1ccncn1	1637047298	WBICPMSDEJMIPZ-UHFFFAOYSA-N	237.263	-0.035	50	10	BBGE	
Cn1cnc(C(=O)NNc2nccn(C)c2=O)c1	1654393761	MJGLOWWYKBOUFY-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
O=C(N[C@H]1CNOC1)[C@@H]1C[C@H]1Br	1877391136	AJHGACSZVJDYTH-KVQBGUIXSA-N	235.081	-0.211	50	10	BBGE	
O=S1(=O)C[C@@H]2CCC[C@]2(CB(O)O)C1	1877859893	ZBTODNXFGXEBKG-YUMQZZPRSA-N	218.083	-0.326	50	10	BBGE	
NNC(=O)NCC(F)(F)[C@@H]1CCOC1	1886583743	HJHYUSLSCPALAZ-RXMQYKEDSA-N	209.196	-0.169	50	10	BBGE	
C[C@@H]1CN(C(=O)F)C[C@H]1CS(N)(=O)=O	1887172886	FMKFBXPKPYQBFK-RITPCOANSA-N	224.257	-0.068	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1896006492	KNBNNPHKHAQRCH-ZLUOBGJFSA-N	243.698	-0.374	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@H]2C)c(B(O)O)s1	1899934543	HIQKDBMJOGROMH-RXMQYKEDSA-N	240.093	-0.634	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1900530467	XUWVYZXEISGKRP-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@@](C)(B(O)O)C2)C1	1902551729	SQONWTJKNNRPKJ-GHMZBOCLSA-N	226.129	-0.123	50	10	BBGE	
C[C@H]1C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903005259	FDCKYAXTHGQDQH-NKWVEPMBSA-N	224.044	-0.610	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@@H](C)CCC(=O)NN	1907703681	DSVGJOZSVFWZSK-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
CN(Cc1occc1C(=O)NN)C1CC(O)C1	1914576637	WAVLYPBTYMPRIV-UHFFFAOYSA-N	239.275	-0.162	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C1CC(O)C1	1914601859	YCAVSBJDWIZADK-UDNWOFFPSA-N	229.324	-0.154	50	10	BBGE	
COCC1CN([C@@H](CC(C)C)C(=O)NN)C1	1916281037	GYAPQFIFCFVFOC-JTQLQIEISA-N	229.324	-0.031	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnns1	1923410462	NAIVWPYQUMGREX-UHFFFAOYSA-N	240.166	-0.139	50	10	BBGE	
OC[C@H](O)[C@@H]1COCCN1CCCl	1928573465	JONUKDCOXXHDKD-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
NNC(=O)C(=O)N1CC=C(Br)CC1	1929612503	DQONAXVTGRMNHX-UHFFFAOYSA-N	248.080	-0.513	50	10	BBGE	
NNC(=O)CN1CCC[C@H](CCO)CC1	1930223988	SGXVKGLSOBINBF-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(CO)C1	1935358237	IRVLGUHWUMDZIZ-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
Cc1cccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936084633	UOSXKSOESJPSPU-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
OB(O)c1cnn(CC(F)(F)C(F)(F)F)c1	1936719836	JSKLJKJSMZJLRN-UHFFFAOYSA-N	243.928	-0.240	50	10	BBGE	
CN(C)C(=O)OC1CCN(C(=O)NN)CC1	1937171499	ZYBQRVHPUUZCNW-UHFFFAOYSA-N	230.268	-0.268	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)Cn2ccnn2)C1	1937194327	QBPBBGQJMSVLKS-YUMQZZPRSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@@H]1C1CC1	1941123372	WZOXUYDTSOQGGR-HBNTYKKESA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H](CO)CC1	1941773130	SRJVLVJWHMHAGW-SNVBAGLBSA-N	245.323	-0.913	50	10	BBGE	
O=C(NNCCO)c1ccc2cccnc2n1	1944211302	JIEGSMHXQLKXDR-UHFFFAOYSA-N	232.243	-0.144	50	10	BBGE	
CC[C@@H]1COCCN([C@H](COC)C(=O)NN)C1	1948710505	YOFZVNKONIJKEZ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951017430	CEKFKIZZEFEASK-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CN2CC[C@H]1C2	1955278557	OJZUZDSPJYSXCK-JGVFFNPUSA-N	238.740	-0.151	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C[C@@H](O)CCl)C1	1956438215	KZWHDLSLZYTBBK-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCOCC(N)=O	1957308396	VXIFJQLYLFYQKB-LURJTMIESA-N	222.672	-0.378	50	10	BBGE	
Cc1ncoc1CN(C)[C@@H](C)C(=O)NN	1959176625	FMKBMOSVNCPREH-ZETCQYMHSA-N	212.253	-0.207	50	10	BBGE	
O=C1NC(=O)N2CCN(CCCCl)C[C@@H]12	1961454441	KSLIRSDVEDJBBG-ZETCQYMHSA-N	231.683	-0.149	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@@H]1CCCS1(=O)=O	1974775056	BXEVKKIQNAOYBI-SFYZADRCSA-N	249.719	-0.080	50	10	BBGE	
O=C1NC[C@@]2(CCCN(C(=O)CCl)C2)N1	1974907761	HXJMZCASYDPHTB-SECBINFHSA-N	231.683	-0.101	50	10	BBGE	
O=C1CC[C@@H](CNC(=O)NC(=O)CCl)CN1	1976302370	RBDIFRCUDMGEKF-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
CN1C[C@H](NCCc2cn(C)nn2)[C@H](Cl)C1	1978595730	PKHRPXFLYSBWKY-ZJUUUORDSA-N	243.742	-0.131	50	10	BBGE	
N#CC1CN(Cc2ccc(C(=O)NN)o2)C1	1978711565	LZWWKBMUIUDSKL-UHFFFAOYSA-N	220.232	-0.162	50	10	BBGE	
CC1CN(Cc2c(C(=O)NN)cnn2C)C1	1980592755	JOLFEOLKXAWUKK-UHFFFAOYSA-N	223.280	-0.525	50	10	BBGE	
CCN(C)C1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1980602130	VGLPJZSHDLVYKV-PSASIEDQSA-N	226.324	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	1980723531	UCVBSIICZGLKGR-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
OB(O)c1cnc(N2CCCSCC2)nc1	1981409874	SKOXFWZDPVHFJB-UHFFFAOYSA-N	239.109	-0.900	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2(C)CC2)n1	1981470508	BKMJFJUBYBJKFE-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1C[C@H]2C[C@H]2C1	1981470575	BZIMWXIAVBECLY-KNVOCYPGSA-N	238.483	-0.129	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)[C@@H]1C	1981472676	SPIOUXLGDZAVSN-NKWVEPMBSA-N	224.044	-0.255	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1982383128	MYDZRFOLXNIFEL-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@]1(C)CCOC1	1982704493	IRJGTSQGZHWWRE-MRVPVSSYSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1occc1C(=O)NN	1985742297	LPKJGWHGGDQCHM-HTRCEHHLSA-N	225.248	-0.552	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@H]1CF	1985768547	ZNNOQTGNABCDFI-BDAKNGLRSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CO[C@H]2C[C@@H]1C2)C(=O)NN	1986053039	ITBGLQWFXJDHQO-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@@H]1CCN1C)CC(C)(C)C(=O)NN	1987092969	QJKAKWPLHAHPTQ-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(C)c(N)c1	1989371341	ODUNKXDDBCJQEH-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CCCCC(=O)NN	1990040563	GCGUYHBYLJGCEN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](CN(C)CC(=O)NNC(C)=O)OC	1990745289	HGBRNLYKIGFQMP-SECBINFHSA-N	231.296	-0.490	50	10	BBGE	
CN(C)C[C@](C)(O)CNC(=O)/C=C/C(=O)Cl	1991705492	FUEJOYTURBDVQG-ORAHPGNNSA-N	248.710	-0.263	50	10	BBGE	
C[C@@H](Cn1ccnc1)Cn1ccc(B(O)O)n1	2003627790	KBQPEHGZMGCSOX-VIFPVBQESA-N	234.068	-0.904	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H](CCO)C1	2005061505	VNNQNPQFLKPRJU-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
Cc1ccc(NC(=O)C2COC2)c(B(O)O)c1	2007616229	QQNNNCIGJJNMLS-UHFFFAOYSA-N	235.048	-0.740	50	10	BBGE	
NNC(=O)CCCOc1cncc(C(N)=O)c1	2007700565	JQTQFKMKHRIWEY-UHFFFAOYSA-N	238.247	-0.671	50	10	BBGE	
O=C(NNCCO)c1ccnn1[C@H]1CC1(F)F	2008767005	DCEXTXYLDVYNSK-ZETCQYMHSA-N	246.217	-0.310	50	10	BBGE	
NNC(=O)C(F)(F)CCN1[C@H]2CC[C@H]1COC2	2008867788	RXRGNAFZZBILNP-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
OB(O)c1cncnc1OC1CC2(CCC2)C1	2011106354	YLOZQRRFSSWZEF-UHFFFAOYSA-N	234.064	-0.132	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncccc3B(O)O)C[C@H]21	2025800714	MDHDNLHRJYCLOI-BBBLOLIVSA-N	232.092	-0.146	50	10	BBGE	
Cc1ccc(OCc2ccnn2C)c(B(O)O)c1	2033257311	BYPKWILPWOKDTM-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1cnc2c(N3CC(F)C3)ccnc2c1	2052621924	NIFAYKHHNHMILX-UHFFFAOYSA-N	247.038	-0.532	50	10	BBGE	
N#Cc1cc(F)c([N+](=O)[O-])c(B(O)O)c1	2060186435	NPPZPWXNJAKFEF-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
N#Cc1ccc(F)c([N+](=O)[O-])c1B(O)O	2060187534	NQQJQJUNYUNGLZ-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
COc1cc(OC)c(C#N)c(B(O)O)c1	2060284254	AQYXRJFFCZHCFP-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
COc1cc(OC(F)F)c(C=O)cc1B(O)O	2060328952	IEAAPJWZOSLJGG-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccccc1B(O)O	2079008928	CWSNCZZISLYAGS-JTQLQIEISA-N	245.087	-0.244	50	10	BBGE	
OB(O)c1ccnc(NCCF)c1F	2210066341	UVBJDGFFFLFQTJ-UHFFFAOYSA-N	201.969	-0.718	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(C[C@@H](C)C(=O)NN)C1	2211252337	YEJWQPVCCOIGKI-KYXWUPHJSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1CC[C@H]1CN(C)CCOCC(=O)NN	2211401117	WFTOMOCWWGSBKW-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)C1(CSC[C@H](O)CO)CCCC1	2212447625	CWCSKUGSACHXGM-MRVPVSSYSA-N	248.348	-0.377	50	10	BBGE	
OB(O)c1cnc(NCc2nccs2)nc1	2212612825	PCJZTWZSDNJXSG-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2213355497	LNSZVDXFMRRYQS-DTHBNOIPSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2CC[C@H](C1)O2	2215775728	IROMNBHWXQCXBZ-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
CCOCC1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215776549	NLUJLCITGWVIJJ-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
OB(O)c1ccnc(N2CC(OC(F)F)C2)c1	2217173655	PZOWFGSMHADFLI-UHFFFAOYSA-N	244.006	-0.811	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)[C@H]1CC1(F)F	2217173728	TYWCTDQXSPVLSX-IYSWYEEDSA-N	243.022	-0.388	50	10	BBGE	
C[C@]1(C#N)CCN(c2cc(B(O)O)ccn2)C1	2217174259	YBUABZNPXPIRRJ-LLVKDONJSA-N	231.064	-0.499	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Oc1ncccc1B(O)O	2217181865	WFQRBOKLCOOJIH-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNc1ncccc1B(O)O	2217184025	PVHMMGOPNUBMDQ-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C=CCCN2)c1	2217186182	GYEKPMHCIOPVOT-JTQLQIEISA-N	234.064	-0.942	50	10	BBGE	
C[C@H](CCN(C)C)Nc1ncccc1B(O)O	2217203575	XEPMQFMHKCZLOR-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H](C)CN1	2223639779	GRAQNMDKMLQRMK-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
Cn1ccnc1CCNc1ncccc1B(O)O	2223665327	FMROAGAEHDANME-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3OCCC[C@H]23)nc1	2223675015	ORACXZHBIQGNBS-GMTAPVOTSA-N	248.091	-0.259	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)CC)B(O)O	2241489957	KKNVSSMVFDFMMU-SSDOTTSWSA-N	221.087	-0.728	50	10	BBGE	
CC[C@H](O[C@H]1C=CCOC1)C(=O)NN	2241729664	VKMVCQRYUBSBBU-YUMQZZPRSA-N	200.238	-0.274	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]2CCCC[C@H]21	2243356260	DWOWYHJCWWNKHC-VHSXEESVSA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1C[C@@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2243365901	UPXUBKHRJBYOCF-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC(C)C	2243375139	PCOVPFUQDJWECD-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
COc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)sn1	2243383065	UHOJOTFHHJAFDN-CRCLSJGQSA-N	242.065	-0.047	50	10	BBGE	
CC[C@H](CCCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243392603	VIHMPNSNHMKGQY-HRDYMLBCSA-N	229.085	-0.483	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397071	VDNROKLWLUUTEW-XHNCKOQMSA-N	228.101	-0.661	50	10	BBGE	
Cc1cc(C(=O)NOC(C)C)c(B(O)O)s1	2243398143	NHOSETWQIIDPDQ-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]2CSC[C@@H]2C1	2243399939	SRPTVAPUCOAEGG-BRPSZJMVSA-N	239.105	-0.740	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C[C@H](C)CC)B(O)O	2243412751	SELPDSCDHUHNFJ-MRVPVSSYSA-N	249.141	-0.138	50	10	BBGE	
CC(C)[S@@](=O)Nc1ncc(B(O)O)cc1F	2243588758	GLYZTIQDWGFONU-MRXNPFEDSA-N	246.072	-0.616	50	10	BBGE	
CC1=CC[C@@H](C(=O)NCC#CB(O)O)CC1	2243685851	CQBAMBDWTJHYKD-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
C=CC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243754041	AUNZXLXHUWJJLB-ZCFIWIBFSA-N	227.025	-0.861	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NC#N	2244182435	MJQRATLZQSMZHG-UHFFFAOYSA-N	221.984	-0.975	50	10	BBGE	
C#CC1(NC(=O)c2csc(B(O)O)c2)CC1	2244541600	MTOQHAHVDGRPJP-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
COC1(CC(=O)NCCC#CB(O)O)CC1	2244550060	MKARGOFTYUFXTH-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CCCCC(=O)NN	2245107880	YSKRLVRXOIMTJW-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](COC)Oc1cc(B(O)O)cnc1C	2246741482	HVKPKHCIOUEEOH-SNVBAGLBSA-N	239.080	-0.126	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@H]2C[C@@H]2C)n1	2247236421	XFWIIABGAQYHMZ-JGVFFNPUSA-N	237.064	-0.195	50	10	BBGE	
CC(C)[C@@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247737229	FDEFHUPDPCIYGX-MRVPVSSYSA-N	238.096	-0.189	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)C1(B(O)O)CC1	2247754464	DNEJVNDPLFFAGR-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
C[C@@]1(O)CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247788004	XSXMUOZVTDCDOW-PKIKSRDPSA-N	241.096	-0.341	50	10	BBGE	
Cc1cnc(C(=O)NOC(C)C)c(B(O)O)c1	2247790792	IYSWEGBHWLUXFM-UHFFFAOYSA-N	238.052	-0.860	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792691	UMMRFWYTWDAZOG-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)c(F)c1	2247846816	MQCLZNDCPYRKLD-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
CC[C@H](CNC(=O)c1ccc(B(O)O)o1)OC	2247851660	IADPVUURULDJPY-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247852095	OSQZFIMSWKDKBT-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1O)C1CC(B(O)O)C1	2247893338	QEZWADFDFSVDMD-YDYPAMBWSA-N	241.096	-0.341	50	10	BBGE	
CCN1CC(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897987	ZFWYXKPFVIVAKX-NXEZZACHSA-N	240.112	-0.741	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCOC1	2247899963	RVQXOVYWVVEHFI-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
Cc1cnc(C(=O)N(C)CCF)c(B(O)O)c1	2247905369	ULQYMLKUPODRCA-UHFFFAOYSA-N	240.043	-0.889	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(CCCO)C1	2247906681	ZWERPUOCAGCTCK-AOOOYVTPSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)C1CC(B(O)O)C1	2247911695	XGACAWCLWHEBOE-SYEZBEBOSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N(C(=O)C2(B(O)O)CC2)C1	2248586865	IIOIHYROTFJNTN-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC[C@H](C)F	2248970053	NHAPJVRNUYSSJS-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1cocc1B(O)O	2249410972	PFXWXIDQZYCGCO-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1cocc1B(O)O	2249429185	UHPQKWOYGJTFPF-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
C[C@H](O)CN(C[C@H]1C[C@H]1C(=O)NN)C1CCC1	2250545975	PABHKTCRNMNEQG-IQJOONFLSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1coc(B(O)O)c1	2255443455	ARWKULDQZRFIIC-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccncc1B(O)O	2255444964	QSEQZJFNISHJQK-DTORHVGOSA-N	248.091	-0.226	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255519977	DRIKKGYMPWGLRW-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
Cc1ccnc(C(=O)NC2CC(C)C2)c1B(O)O	2255582633	XCYOMIWAKMNOHF-UHFFFAOYSA-N	248.091	-0.402	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CCCCN1	2255734820	IDQLAVXGFVTCGE-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
CN(Cc1cncnc1)C(=O)C1(B(O)O)CCC1	2255737765	IUGZZDZNEHDEDB-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2[C@@H]1CO	2298166250	CYIIWQDMZBZYBP-QHZLYTNSSA-N	239.319	-0.685	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2298371840	XPHMCBUHOVWTGA-AATLWQCWSA-N	241.096	-0.410	50	10	BBGE	
COc1cncnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2299344417	JTPBRALTWAOYMZ-WDSKDSINSA-N	237.024	-0.713	50	10	BBGE	
C#CC(C)(C)Oc1ccc(C=O)c(B(O)O)c1	2301453093	PXMNDIGGTYSSJE-UHFFFAOYSA-N	232.044	-0.031	50	10	BBGE	
OB(O)c1cc(N2CCC3(CC3)C2)ncc1F	2303837044	VAFFADBGNRBFPJ-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CN[C@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)C1	2303851279	AWUKNQPUFUYVQX-KNVOCYPGSA-N	240.043	-0.970	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2CCc3nccn32)C1	2306971425	XUSBSHJLWGJGMS-NXEZZACHSA-N	235.096	-0.081	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](Nc1cc(B(O)O)ccn1)C2	2313112854	VDZDPJMMJFOBLO-CKYFFXLPSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@@H]2CCO[C@H]21	2317168705	XRUUMXUFZIRKFK-MVWJERBFSA-N	244.059	-0.563	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)C1CNC1	2317206779	QDFKBFQYOSMFIJ-MRVPVSSYSA-N	246.075	-0.775	50	10	BBGE	
O=C(O)C[C@@H](C(=O)O)[C@@H]1CC(=O)OC1=O	59995553	OKFOVURIUHKBLY-DMTCNVIQSA-N	216.145	-0.748	50	10	BBGE	
C[C@H]1C(=O)NCCN1CCCCCC(=O)NN	71292113	UGMALHRGLGWMEC-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
O=CC1=C2NCCCN2C(=O)[C@H]1CC(=O)O	82361861	PISNJCASPQCAST-LURJTMIESA-N	224.216	-0.677	50	10	BBGE	
NNC(=O)CCCCn1ncccc1=O	82471534	QLEXVKNYHWCGJK-UHFFFAOYSA-N	210.237	-0.597	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CCN1C	82485314	GXMISTYSUOROHM-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CC[C@H]1CN([C@@H](C)CC(=O)NN)CCN1C	82485340	FOLSMIXDYCJZIK-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1CCCCC(=O)NN	122380178	CHFAREYANCWGPI-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
Cc1cn([C@H](Cl)C(=O)O)c(=O)[nH]c1=O	146150389	VMHMQJOVZMPGMZ-BYPYZUCNSA-N	218.596	-0.333	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)cc(Br)n1	206085774	SYNZHAODKFTROP-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCC)CC(=O)NC	212114519	JJXJOJHCJYNRHQ-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](O)C1	216482488	YYEYOHLRIFZXRF-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
Cc1nc(CCNC(=O)C(=O)NN)cs1	226408175	GLBAYDIZIQZCMV-UHFFFAOYSA-N	228.277	-0.900	50	10	BBGE	
CC[C@H](N)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	228744038	UKLOBLRTOKQKPK-CIUDSAMLSA-N	247.364	-0.006	50	10	BBGE	
COC[C@H](Oc1ccc(C#N)cc1)C(=O)NN	232417757	WULSKDRRGIQSCE-JTQLQIEISA-N	235.243	-0.058	50	10	BBGE	
Cc1cnn(Cc2ccc(B(O)O)cc2)c(=O)c1	235964764	FHLAKXQNIUDLLI-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC(=O)NN(C(=O)C(N)=O)[C@@H](C)C1CC1	238365638	KYNSYDDJJWQMQQ-YFKPBYRVSA-N	213.237	-0.850	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	251535055	KMRSMIHRIJLNDU-CIUDSAMLSA-N	227.308	-0.257	50	10	BBGE	
CC(CCC(C)=NNC(N)=O)=NNC(N)=O	254865112	SRZBDYPXDAMGRV-UHFFFAOYSA-N	228.256	-0.145	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCCO1)C(N)=O	272211230	RLBDWUYVGRAYMD-MRVPVSSYSA-N	201.226	-0.403	50	10	BBGE	
C[C@@H](SCC(=O)N1CCCC1)C(=O)NN	300777169	AXSXWZCPZBTNCO-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
NNC(=O)c1coc(CSCC(N)=O)c1	300828915	OGHMLHNUZNQZTR-UHFFFAOYSA-N	229.261	-0.398	50	10	BBGE	
CC(C)(C)C(C)(C)NC(=O)C(=O)NN	307522264	XNJPPSNWHXPARD-UHFFFAOYSA-N	201.270	-0.083	50	10	BBGE	
CCOC(=O)NNS(=O)(=O)CCF	381865483	ZCYNHFQTOFLIDL-UHFFFAOYSA-N	214.218	-0.464	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H]1CC	385890020	MRGYYSOJLIIESA-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)O[C@H]2/C(=C\C#N)NC[C@@H](O)[C@H]2O1	386609242	WIMLSGGTZJODEX-TXBOYBTPSA-N	210.233	-0.122	50	10	BBGE	
C[C@H](Cl)c1n[nH]c(=N[C@@H]2CN(C)NC2=O)o1	393917809	NDMDPIOBGCXBRD-CRCLSJGQSA-N	245.670	-0.452	50	10	BBGE	
CC[C@@H](C)[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396799717	XQDVXZZYBMEICM-JFUSQASVSA-N	237.108	-0.227	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	399397661	FHBZMYQLKROENU-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
CCC[S@@](=O)NCc1ccc(B(O)O)s1	404829013	DEYYAMLTGISHDX-OAHLLOKOSA-N	247.150	-0.409	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)Nc2ccccc2B(O)O)O1	404958526	IHLMGVYBZVVHQY-LDYMZIIASA-N	249.075	-0.128	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CC1	405007346	SRSVVWQFGCOFJQ-UHFFFAOYSA-N	206.010	-0.890	50	10	BBGE	
Cc1cnoc1C(=O)Nc1ccnc(B(O)O)c1	405025071	ZQOSXWHGUFTLGR-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CCNC(=O)NNC(=O)Cc1ccccn1	490617591	RKSKPOHECJTTII-UHFFFAOYSA-N	232.243	-0.412	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C1=NNC(=O)C1	491343316	YTWHVPOJIPCLKQ-UHFFFAOYSA-N	242.235	-0.582	50	10	BBGE	
CO[C@H]1CCCC[C@H]1N(C)CC(=O)NN	687453845	HIYDIHJRYCQYOR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)C[C@@H]1CO	687625420	WEIUERFGOHNVFL-DTWKUNHWSA-N	217.700	-0.274	50	10	BBGE	
C[C@@H](COCCN)N1CCC(O)(C#N)CC1	692136812	SWYNZGNKOKUPMD-JTQLQIEISA-N	227.308	-0.299	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)ccc1O	702017377	MQVOQTWREPCOGR-UHFFFAOYSA-N	209.010	-0.558	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)C[C@H]1C	706103527	SYIPLBUZLDDLKK-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(COC)CC1	706928868	GOFMZNMABXTRDQ-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@@H]3COC[C@@H]23)CC1	709389864	ICSNBZMPAXODPJ-RKDXNWHRSA-N	236.271	-0.244	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@H](C1=O)C2(F)F	715544416	CUUUZILUGPJMHQ-IYSWYEEDSA-N	233.218	-0.520	50	10	BBGE	
C#CC[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717769336	FUCONWBGJQUKHB-CIUDSAMLSA-N	223.228	-0.713	50	10	BBGE	
C[C@H](CN1CC[C@H]2CC[C@@H](O)[C@H]1C2)C(=O)NN	721718325	QWTVVDLTXFDJKR-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C=CS[N]1	725711521	BZZMMAUGFPPZOY-VIFPVBQESA-N	249.080	-0.547	50	10	BBGE	
COCC(=O)NN=C1CCC[C@@H]1S(C)(=O)=O	761818553	KPUSBHHHIRTVIM-QMMMGPOBSA-N	248.304	-0.298	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@@H]1COC(=O)N1	858523270	QGPDKUVWMBDFLC-YFKPBYRVSA-N	229.236	-0.712	50	10	BBGE	
C/C=C/CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858701276	KPEJSNSAWUNNKM-AIYRYJHASA-N	240.263	-0.829	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C(=O)NCC1CC1	862501125	BEYAVQAGMCYCDI-UHFFFAOYSA-N	248.286	-0.219	50	10	BBGE	
CC[C@H](CO)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862890846	FDDCJEMROJVQTJ-YIZRAAEISA-N	244.291	-0.280	50	10	BBGE	
N#C[C@H](CCl)[C@@H]1CC[C@H]2NNC(=O)N2N1	953054854	VHKSHXYCKWNNRY-ACZMJKKPSA-N	229.671	-0.112	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CC(=O)N(C)C1	1157605947	DXUNMUBBDLWPDV-QMMMGPOBSA-N	229.280	-0.926	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccn2)C1	1290673128	FJUPQMWXEMFYLU-SFYZADRCSA-N	249.274	-0.179	50	10	BBGE	
C=CCNC(=S)NNC(=O)CC1(O)CCC1	1538841363	OWVUIBSVXAIONV-UHFFFAOYSA-N	243.332	-0.027	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2F)nc1O	1608540503	BEHKDZYITNOYPM-RFZPGFLSSA-N	227.199	-0.313	50	10	BBGE	
C[C@@H](Cl)CNC(=O)c1ccc(B(O)O)cc1	1866098879	CARADUDAICJNDP-SSDOTTSWSA-N	241.483	-0.277	50	10	BBGE	
N[C@H](CNC[C@@H]1C[C@H]1Br)C(=O)O	1877411498	LCALLYKQZLKXSM-KVQBGUIXSA-N	237.097	-0.229	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1C[C@H]1Cl	1883552165	LUZBYHJJMNPQPZ-NTSWFWBYSA-N	201.661	-0.073	50	10	BBGE	
O=C(O)Cn1nnnc1[C@H]1C[C@H]1Cl	1883645330	NTDRMCPCYQFBCH-IUYQGCFVSA-N	202.601	-0.148	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC([C@@H](O)CO)C1	1887281290	NXXNJDXZUDLYRD-SVRRBLITSA-N	221.684	-0.185	50	10	BBGE	
CN(CCN)CC(=O)NC[C@H]1C[C@@H]1Cl	1893108409	SEDJSFIPSSRRLG-SFYZADRCSA-N	219.716	-0.380	50	10	BBGE	
N[C@]1(CNC(=O)[C@H]2C[C@@H]2Cl)CCOC1	1893452986	JTGXTLHHEZDGJX-ZKWXMUAHSA-N	218.684	-0.152	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1Cl)[C@H]1CNC[C@@H]1O	1893453491	NIXVIXFFNKNEGN-XAMCCFCMSA-N	218.684	-0.595	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NN1CCNCC1	1893498788	YOEVDEGGIOUCAQ-OWOJBTEDSA-N	217.656	-0.756	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@H]12	1894803280	CHDIDZLKJPLLBE-VGRMVHKJSA-N	227.264	-0.129	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1895992298	WZUQSXZNMMUHDH-LJASKYJCSA-N	225.244	-0.328	50	10	BBGE	
CC[C@@H]1C[C@H]1COc1ncncc1B(O)O	1897621803	SEQVDHQMLAISSR-SFYZADRCSA-N	222.053	-0.419	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1cnsc1B(O)O	1900467063	PMFJXMDAZGDSAG-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
C[C@H](COC[C@]1(C)CCN(C)C1)C(=O)NN	1901425541	MDIUPFQADQJZIC-MWLCHTKSSA-N	229.324	-0.029	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccc(B(O)O)o1	1904903432	XQEOXAOMYKCNEK-IZLXSQMJSA-N	227.000	-0.810	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]2C(F)F)O1	1908715696	OYFCCDRAXRFAJD-PRJMDXOYSA-N	249.261	-0.137	50	10	BBGE	
CC(C)CC(=O)Nc1ncccc1B(O)O	1913614953	CISTVZWGLNQMJU-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CC(C)[S@@](C)(=O)=N[C@@H](C)C(=O)NN	1913904849	ZXOLEXILZJQXMF-DAZKTRTLSA-N	207.299	-0.129	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1COC1	1915649571	BNVIFSOJRWKPML-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C)CCC(=O)NN	1916200921	WVVSDGLZGDFIDC-YUMQZZPRSA-N	230.312	-0.789	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(F)(F)C1	1917282403	VRBHXUNDVIVLKX-LURJTMIESA-N	207.224	-0.048	50	10	BBGE	
C[S@@](=O)CCC(=O)NNC(=O)C(F)(F)F	1923391632	OBUJUTIIOQZHIZ-OAHLLOKOSA-N	246.210	-0.535	50	10	BBGE	
C#CCNC(=S)NNC(=O)C(F)(F)F	1923407654	ASQUGTDNOCOZJT-UHFFFAOYSA-N	225.195	-0.323	50	10	BBGE	
CC(C)(CCSCCNCCN)C(=O)NN	1923485459	OABJIKLDTCACBD-UHFFFAOYSA-N	248.396	-0.326	50	10	BBGE	
CCC[C@@H]1CCN1CCOCC(=O)NN	1928180777	FWDSRGWEKGNYKB-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)CCN(C)CCOCC(=O)NN	1928183338	SBSOAEDWJQEDNH-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CCCN(CCCO)[C@H](C)CC(=O)NN	1930056239	LYQAPRHIVSKBBF-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CCC[C@@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930885218	GZKBCMNUEBVPQH-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
NC(=O)[C@@H](NS(=O)(=O)CCCl)C1CC1	1932385967	APHPZVQGJWWOME-LURJTMIESA-N	240.712	-0.592	50	10	BBGE	
CC[C@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1O	1935926329	PMMVUDWGJCNZRP-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
COC[C@H]1CCCN1CC(F)(F)C(=O)NN	1935936134	RDFARMGZSZCEOP-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])cn1	1936081963	BIRFYMXJNBUQKS-CAHLUQPWSA-N	225.208	-0.583	50	10	BBGE	
CCOCCCN(C)C[C@H]1C[C@H]1C(=O)NN	1936095258	VJXKYWRASRRRMZ-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CCOC[C@@H]1Cl	1937159618	KEPVJXQNLLMDBA-NKWVEPMBSA-N	245.670	-0.814	50	10	BBGE	
OB(O)c1ccn(CC2[C@@H]3CCCC[C@@H]23)n1	1937644964	VYPJUSSVOJLJIS-RKDXNWHRSA-N	220.081	-0.001	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CCCO1	1938246541	JIDLKSDSBTYVMU-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@H]3CNC[C@H]23)CC1	1940258419	JZFUYJLAWFWVRS-IUCAKERBSA-N	235.287	-0.671	50	10	BBGE	
C[C@@H](CN(C)CCCC(=O)N(C)C)C(=O)NN	1940302577	IIDXXFVXWXKHRY-VIFPVBQESA-N	244.339	-0.587	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(CCOCC(=O)NN)C1	1941773251	VHNHDOIIFSZVHG-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC2(CC2)CO1	1954973740	QSCFAVUJACTPOT-RXMQYKEDSA-N	215.278	-0.580	50	10	BBGE	
O=S(=O)(NCCCl)N1CCC[C@@H]1CO	1955746943	AUNFIFSFFARTOB-SSDOTTSWSA-N	242.728	-0.484	50	10	BBGE	
O=C(CCl)N[C@@H]1CCn2ncnc2C1	1956300558	PEKWLFXBZCQIIY-ZCFIWIBFSA-N	214.656	-0.052	50	10	BBGE	
OCC[C@H]1CN(C[C@@H](O)CCl)CCO1	1956982307	KAHNMWBIECTLLE-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
Cn1nnc(C(=O)NCCOCCCCl)n1	1976720306	JNYGPFSGMHOVDI-UHFFFAOYSA-N	247.686	-0.415	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](N(C)C)CC1(C)C	1977319949	ROUYIQYBTSVNCD-IUCAKERBSA-N	228.340	-0.221	50	10	BBGE	
N#CC1CN(Cc2occc2C(=O)NN)C1	1978710981	FZJZHKKETCVZNK-UHFFFAOYSA-N	220.232	-0.162	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Oc1nc(B(O)O)cs1	1981425317	FGRIQBQLRDFWBI-RNFRBKRXSA-N	243.093	-0.373	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)C[C@H](C)O1	1981473566	ZWLJPXHOJMQKGM-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O	1982103288	NOPZUKJAKIMULF-FKSUSPILSA-N	227.264	-0.129	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1csc(C(=O)NN)n1	1985740480	HNFZQCZUEBGMRB-IYSWYEEDSA-N	242.304	-0.688	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1985770795	YOTSPBOTJNLFQO-GJMOJQLCSA-N	237.250	-0.627	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)CC(F)(F)C1	1986741124	LQEBLZMFSYSLQD-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987561705	BTAILXOEKBVDRK-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
Cn1[nH]nnc1=N[C@@]12CC[C@@](CCl)(C1)OC2	1988707656	UYWWQPXOILWPLX-IUCAKERBSA-N	243.698	-0.026	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CCS1	1990775415	VMOLIZMGYNMPDW-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC(=O)NCC1CC1	1991704129	PHRAPHWAJNKNSH-ONEGZZNKSA-N	244.678	-0.050	50	10	BBGE	
C=C(CN(C)[C@H]1C[C@@H]2COC[C@@H]2C1)B(O)O	1992152940	JWRHPBZWKWQERV-URLYPYJESA-N	225.097	-0.089	50	10	BBGE	
CC[C@H](C)NC(=O)c1ccccc1B(O)O	1992836190	KCBXTLHAHATNPX-QMMMGPOBSA-N	221.065	-0.105	50	10	BBGE	
C[C@H](CF)NC(=O)c1ccccc1B(O)O	1992837525	ZHXIFEASDCVPMQ-SSDOTTSWSA-N	225.028	-0.546	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996732607	JCVKNUFIUWIMPP-HBNTYKKESA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)CN1CCC[C@H](CN2CCCC2)C1	2003928062	DUCXBDMVJWAMQZ-LLVKDONJSA-N	240.351	-0.216	50	10	BBGE	
COCC1(N(C)c2ccc(B(O)O)cn2)CC1	2004911383	GLFUPXKYZPJFQJ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cncnc1N1CCC(CF)CC1	2004912160	PLBPBXMXEPPCDI-UHFFFAOYSA-N	239.059	-0.658	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)CC[C@H]1C	2004921316	UPVPFGYQSYLPLU-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
Cc1nc(N(C)CC(C)(F)F)ncc1B(O)O	2004970558	DLSIXKFRTOAAID-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
NNC(=O)NC1CCN([C@H]2CCCOC2)CC1	2005217127	MSHVQXYGUPNYKO-JTQLQIEISA-N	242.323	-0.197	50	10	BBGE	
C[C@@H](CO)N(C)Cc1ccc(C(=O)NN)nc1	2007741915	VWRVPQZNSLVYPP-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
Cc1cc(CN(C)C[C@H](C)C(=O)NN)nn1C	2011840385	OBYYVXNYMFIBGY-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCOC1	2019211077	IWQMLBNSVUBXMA-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
C=C(CN1CCC[C@@H](OCCOC)C1)B(O)O	2021157456	MQJWSWMRAFKATQ-LLVKDONJSA-N	243.112	-0.318	50	10	BBGE	
COCCC1CN(Cc2ccccc2B(O)O)C1	2034798463	RHMNOTZVKDNSER-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
Cc1cnn(C2CN(CC3(C(=O)NN)CC3)C2)c1	2050893037	WEEHMQOEOIYGNO-UHFFFAOYSA-N	249.318	-0.182	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070851506	KYUCPHWNFFQOEP-NFQPTNBHSA-N	244.103	-0.148	50	10	BBGE	
O=C1COC[C@H]2CN(C[C@H](O)CCl)CCN12	2211718258	PYRRKSZVSOHETP-RKDXNWHRSA-N	248.710	-0.871	50	10	BBGE	
CCN(CC1(C(=O)NN)CCC1)S(C)(=O)=O	2212248215	TTWFMJKEGSOWNA-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
CN(CCF)CC1(C(=O)NN)CCOCC1	2212447828	GJDAURYHUOGIME-UHFFFAOYSA-N	233.287	-0.326	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1cc(B(O)O)ccn1	2212610240	FMHFBCDRNYBTON-PSASIEDQSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CC[C@@H]1O	2215770540	CHUMLDDJGSLQDS-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccccc1OC[C@@]1(F)CCOC1	2216336412	VYWUFIPSBGHPCD-LLVKDONJSA-N	240.039	-0.126	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1F	2216528309	NNQRTAZUQUTCKQ-IUCAKERBSA-N	245.298	-0.185	50	10	BBGE	
CCCN1CC(Nc2ncccc2B(O)O)C1	2217171510	BJHVHMBFDRVNNE-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1nc[nH]n1	2217178494	WQTZNZHASNBJFO-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
Cc1cnc(N[C@H]2CCO[C@@H]2C)cc1B(O)O	2217184835	WYYPEZOUQQGREI-SCZZXKLOSA-N	236.080	-0.341	50	10	BBGE	
C[C@@](N)(COc1ccc(B(O)O)cn1)C1CC1	2217191001	IBJJONAADHDCHE-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)CNC[C@H]1Nc1ccc(B(O)O)cn1	2217199732	OTTJNLLPOIXCLQ-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
CCC1(CNc2cc(B(O)O)ccn2)CNC1	2217200306	JLHSSZCCDRQDPR-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
CCN1CC[C@H](OCc2ccccc2B(O)O)C1	2222584706	UGHPBVMCOVCSJO-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNC[C@H]1C1CC1	2223644318	HVMICSQVSFIHBF-ONGXEEELSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccc(OCC23CCC(CC2)N3)nc1	2223644817	OBWHGQHRFYKIJE-UHFFFAOYSA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@]12CCOC2	2223666585	MZPVWUSWURYWCH-SKDRFNHKSA-N	248.091	-0.400	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1Nc1ncccc1B(O)O	2223667640	RCBBGYHARGSVAT-ONGXEEELSA-N	249.123	-0.487	50	10	BBGE	
CONC(=O)c1scc(B(O)O)c1Cl	2241480670	MZOPDFFCFPYTGF-UHFFFAOYSA-N	235.457	-0.628	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)s2)C1	2243349313	JLKHRGRPPVYOBD-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1ccc(B(O)O)o1	2243356374	GWVPPBQIHSAEFB-PHDIDXHHSA-N	243.455	-0.684	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC2C[C@@H]3C1[C@@H]3C2	2243362099	MDKORVONRSAIOE-VYGPFJBRSA-N	219.049	-0.838	50	10	BBGE	
C[C@H]1CN(C(=O)c2csc(B(O)O)c2)[C@H]1C	2243362662	UQKFZBOAXQMNMA-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCNC1	2243364254	UAGGOIGHVANOLF-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1cc(B(O)O)cs1	2243385607	LNGJOLOFXKFJJI-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CC1	2243397746	IHOOOQBDBGFJKT-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
O=C(NCCOC1CCC1)[C@@H]1C[C@@H]1B(O)O	2243399342	ZBQQYPKYZDBMNB-BDAKNGLRSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2243399810	QPXAAQKMKLDBMV-VIFPVBQESA-N	221.065	-0.207	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2243401133	MPQRRHCGKCOBJB-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
C=C(CS(=O)(=O)NC1CC(C)(C)C1)B(O)O	2243412421	MNWFHQDNWGUVDU-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
Cc1sc(C(=O)N(C)C2CC2)cc1B(O)O	2243415842	CWFWCEMFQIIGHY-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
Cc1csc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2243426951	OCLLMKIBDDRGNM-NKWVEPMBSA-N	240.093	-0.069	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)[C@@H](O)CC1	2243780292	PHGSPGOYLTVUAP-YUMQZZPRSA-N	247.678	-0.348	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@]1(C)CCNC1=O	2245142456	VROYGFOHCZDUGD-SSDLBLMSSA-N	247.682	-0.282	50	10	BBGE	
C[C@]1(C(=O)NCB(O)O)CC[C@@]1(C)C(=O)O	2245253496	LSOGAADNNKJOFK-BDAKNGLRSA-N	229.041	-0.994	50	10	BBGE	
OC[C@@H]1CN(CC2CC(Cl)C2)C[C@H](O)[C@@H]1O	2245270632	APMMJWOGWYWIJT-YQTOTIIMSA-N	249.738	-0.350	50	10	BBGE	
CN1CC2(CN(C[C@H](Cl)C#N)C2)OCC1=O	2245302752	KIKVJZOVAHFFIB-MRVPVSSYSA-N	243.694	-0.340	50	10	BBGE	
Cc1nc(N2O[C@H]3CC[C@H]2C3)ncc1B(O)O	2247069234	AGIJSWSFKBTJTI-YUMQZZPRSA-N	235.052	-0.862	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)(F)F	2247737537	HUHGXOZHEKBQGQ-YFKPBYRVSA-N	246.022	-0.532	50	10	BBGE	
CC[C@]1(C)CC[C@@H](CNC(=O)C#CB(O)O)O1	2247740986	SIZVGYNDTZXVMW-GXSJLCMTSA-N	239.080	-0.534	50	10	BBGE	
CCN(CC)CCCNC(=O)C1(B(O)O)CC1	2247754828	FXNZJOPWSQJMGY-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ncccc1B(O)O	2247775685	OPAJLLWMHZTBDO-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
C#CC#CCNC(=O)c1sc(C)cc1B(O)O	2247787673	SBTCYKPDKQGICS-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@H](CO)C1	2247800244	NDJLCFCEQLNSBQ-IDKOKCKLSA-N	241.096	-0.530	50	10	BBGE	
O=C(N[C@@H]1CCNC12CC2)[C@H]1C[C@H](B(O)O)C1	2247806241	DSQSYINFNCLNAB-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(O)C1CCOCC1	2247806469	NLMSNCAFEMRIKS-UHFFFAOYSA-N	243.068	-0.364	50	10	BBGE	
COC1CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247806897	GTWMVHGQLGCDIX-BMNUFHGDSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](CO)C12CC2	2247807678	IRETWIWRWTURIV-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1N(C)C(=O)C#CB(O)O	2247848302	JYYFSHIGTWMVKB-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CCCN(C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894357	FWUUZKNLTUPQTH-MGCOHNPYSA-N	242.128	-0.303	50	10	BBGE	
CC1([C@H](CO)NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247894531	HSGOTSATKUBWPI-CIUDSAMLSA-N	241.096	-0.483	50	10	BBGE	
CN(C)CC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247900527	XPHWVYGQJPEDFC-BDAKNGLRSA-N	240.112	-0.693	50	10	BBGE	
C#CCCN(CCOC)C(=O)[C@H]1C[C@H]1B(O)O	2247900635	YMUQPQZSZSGDSC-VHSXEESVSA-N	239.080	-0.652	50	10	BBGE	
O=C(N[C@]12CC[C@H]1CNC2)C1CC(B(O)O)C1	2247904591	QMCLWQTXRBAPKN-IEZMZVKSSA-N	238.096	-0.892	50	10	BBGE	
C#CCONC(=O)Nc1cccc(B(O)O)c1	2247970198	HJTSAKIVZPCXJC-UHFFFAOYSA-N	234.020	-0.947	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248239178	NBNIYTJHZKVANV-IYSWYEEDSA-N	238.027	-0.505	50	10	BBGE	
C=CC(=O)N1CCCc2cccc(B(O)O)c21	2248402225	UCLLFMMQFBIFCJ-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
CC(=O)c1c[nH]c(C(=O)NCC=CB(O)O)c1	2248420596	XFTLGIYSEWTXQW-UHFFFAOYSA-N	236.036	-0.485	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248480005	WVOWUJSYQDMVAH-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
CCCC(=O)NCc1ccc(B(O)O)cc1F	2248958150	ATRWWPFXKVYMPH-UHFFFAOYSA-N	239.055	-0.078	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1cocc1B(O)O	2249433297	KUJGWDAIBVPRHT-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1ncon1	2255469160	LKOYHZLIHKOZDP-MRVPVSSYSA-N	249.035	-0.861	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]21	2255670974	KVCLBFBOQINHRR-DTORHVGOSA-N	248.091	-0.578	50	10	BBGE	
C=CCCCN(C)C(=O)c1ncncc1B(O)O	2255730887	VZGBPQIJLJUGTD-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccc(B(O)O)c(C)c1	2255736492	OHWUJUIVBFAJEZ-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C#CCN(C(=O)c1cocc1B(O)O)C(C)(C)C	2258131808	ZJCJINFXHHHMQJ-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
N[C@H]1C[C@@](F)(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298368405	BTBDCGOHMYGHEL-WZXRXUJPSA-N	244.075	-0.815	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCN(C)C(=O)C1	2302058817	GYMMYIQZFQPSLB-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@@H](C(=O)N1CCCC1)N1CC[C@@H](B(O)O)C1	2303100195	XANWDKYZHACNIC-VHSXEESVSA-N	240.112	-0.454	50	10	BBGE	
C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(B(O)O)C1	2303101977	PHBJEOFMEUJNPA-MWLCHTKSSA-N	238.096	-0.937	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@@H]2CC[C@H]1C2	2312856379	KZJTYJYEQLLSSI-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCCNC1	2317152070	XYSBTMLBBPVANR-LLVKDONJSA-N	246.075	-0.631	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@H]1CN	2317160403	CYIJYXFKIYZAEQ-WCBMZHEXSA-N	245.091	-0.755	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1(C)COC1	2317160685	HBOZQFLMHFCEGV-UHFFFAOYSA-N	246.075	-0.537	50	10	BBGE	
O=Cc1ccc(NCc2cnoc2)cc1B(O)O	2317312246	DIPBVLYNMAUIRZ-UHFFFAOYSA-N	246.031	-0.221	50	10	BBGE	
O=Cc1ccc(N[C@@H](CO)C2CC2)cc1B(O)O	2317349421	CCZQLPNFXZFVAG-LBPRGKRZSA-N	249.075	-0.638	50	10	BBGE	
C[C@@H]1NCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349916	KVACARQBVKJEGZ-QPUJVOFHSA-N	248.091	-0.659	50	10	BBGE	
Cc1cccc(NC(=O)NOCC#N)c1B(O)O	2327694034	FMVHIHASCRMSTN-UHFFFAOYSA-N	249.035	-0.749	50	10	BBGE	
NNC(=O)CN1CCOc2cccc(N)c21	74405624	CZXKQSSIERSXTE-UHFFFAOYSA-N	222.248	-0.543	50	10	BBGE	
C[C@H](CCC(=O)NN)O[C@@H]1CCOC1	82465496	WWOXYMSPQHNUSY-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C1	86313482	ZRXYJBPOVVHOHM-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
CN(CC(N)=O)[C@H](C(=O)NN)c1ccccc1	110574596	PEEAWDITRZIRBH-JTQLQIEISA-N	236.275	-0.865	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H](O)C2)c1	110580446	XNKOIQQRXPQNLL-LLVKDONJSA-N	235.287	-0.143	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](CO)OC[C@@H]1C	122382348	MRTYGCRAILOUCR-GUBZILKMSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)NN(C)C	149077752	XCCIQUFGNJSZPV-RQJHMYQMSA-N	215.253	-0.032	50	10	BBGE	
O=[N+]([O-])/C=C(\NCCO)NCCCl	166962211	ZXVOITBNEIDDTK-WAYWQWQTSA-N	209.633	-0.528	50	10	BBGE	
CN1C(=O)NC(=O)[C@@H](Br)[C@H]1N	211307900	RCSKDVAJIKZDSY-HRFVKAFMSA-N	222.042	-0.784	50	10	BBGE	
COC[C@H](CCl)NS(=O)(=O)N(C)C	229025054	FQRAWFZANGBLMD-LURJTMIESA-N	230.717	-0.364	50	10	BBGE	
NNC(=O)C(=O)NC1(C(F)(F)F)CC1	229809046	UFSWZGMLAMOQAV-UHFFFAOYSA-N	211.143	-0.813	50	10	BBGE	
CCN1CCN([C@@H](COC)C(=O)NN)C[C@@H]1C	232420207	VBQIMSVUWGJZOY-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CN(C)NC(=O)c1cc([N+](=O)[O-])cnc1N	234231756	DZEAOWQVEQGQFB-UHFFFAOYSA-N	225.208	-0.222	50	10	BBGE	
COc1ncc(B(O)O)cc1OC(F)F	238397808	QDNWYQVKVDPRMX-UHFFFAOYSA-N	218.952	-0.629	50	10	BBGE	
C[C@@H](CCN(C)C)N(N=O)NC(N)=O	238432437	OZIZFDWEVRKWKM-LURJTMIESA-N	203.246	-0.107	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc(F)cc1F	259029709	REKLUAFVAMUNHM-ZETCQYMHSA-N	201.176	-0.046	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)/C=C/C1CC1	266269723	ZEUHBKJQPURQHY-AATRIKPKSA-N	239.275	-0.375	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOCCO)C(C)C	305999630	GMNXGXRZCGGFQN-SNVBAGLBSA-N	247.339	-0.526	50	10	BBGE	
C[C@H]1[C@@](C#N)(N=C=O)CCS1(=O)=O	306327327	VRJDNYBYBGTYAY-NKWVEPMBSA-N	200.219	-0.208	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C)(O)C1	306621995	AEKCJABJOMPPQK-SSDOTTSWSA-N	201.270	-0.933	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc([C@@H](C)Cl)nn1	309206614	QDXPIRKRCPYUGL-RXMQYKEDSA-N	245.670	-0.255	50	10	BBGE	
CC(C)(CCN1CCC[C@H](O)C1)C(=O)NN	395599928	WFMWTRRDUKDJEA-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COCCN(CCO)CCC(C)(C)C(=O)NN	395612697	KKHBDBPBBXLOOG-UHFFFAOYSA-N	247.339	-0.667	50	10	BBGE	
COC(=O)Cc1cccc(CCC#N)c1B(O)O	396041476	PFJQCZAWIWPCBP-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
COC(=O)CCc1cccc(C)c1B(O)O	396139634	PJNASIUZQMLFQI-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
O=Cc1cc2cc(CO)sc2cc1B(O)O	396330726	CETKUWNEMUJIKS-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC1(C)[C@H]2CC[C@H](NC(=O)C(=O)NN)[C@H]1C2	399653976	CPZFLHXTQAQCQQ-RNJXMRFFSA-N	225.292	-0.083	50	10	BBGE	
CC[S@](=O)N(C)Cc1csc(B(O)O)c1	404926739	PNKPOIYXGSGYAD-HNNXBMFYSA-N	247.150	-0.457	50	10	BBGE	
O=C(CCl)NCCN1CCCC1=O	405430382	JRMZALCPIAECJQ-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
N#C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	584941221	HBLZHJLBTNOLFA-LLVKDONJSA-N	244.059	-0.602	50	10	BBGE	
O=C(CCl)NC[C@@H]1CNC[C@H](O)C1	642885781	UQPRRAYHDZCDFD-NKWVEPMBSA-N	206.673	-0.688	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1nccn1C	690875312	BOEUTCNZOSIJLO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)C(=O)NN)CC1	692063128	LONIDDNQBAAPPO-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CNNC(=O)CNS(=O)(=O)c1ccccc1	704614281	HHJIVJNRZKBMAS-UHFFFAOYSA-N	243.288	-0.785	50	10	BBGE	
NNC(=O)CCN1CC(OCC(F)F)C1	707396105	FTUUIWCSNJVBJC-UHFFFAOYSA-N	223.223	-0.668	50	10	BBGE	
C[C@@H](C(N)=O)N(C)S(=O)(=O)CCCl	711062975	XANKVMZNMCABPH-YFKPBYRVSA-N	228.701	-0.639	50	10	BBGE	
COC[C@@H]1CCCCN(CC(=O)NN)C1=O	711525170	IWYWNBXTJABBHV-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CCOCC(=O)N1CCc2ccc(B(O)O)cc21	713061620	RQSFKFHYCNSLPT-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@]1(C)CO	723023889	RMBYEBXHMKXBQE-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)C2CCC2)C1	732291665	DBCXJUJKXJCAPH-VIFPVBQESA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc(C#N)c1	792772853	CKVZQDPDMWJSSA-UHFFFAOYSA-N	204.189	-0.266	50	10	BBGE	
C#CCSCC(=O)NNC(=O)[C@H]1CCCO1	897838065	QGHRCIAPFJRABK-MRVPVSSYSA-N	242.300	-0.321	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1cccnn1	1153523863	MYJNGVBZMMFPQD-DLRBJTRDSA-N	236.231	-0.825	50	10	BBGE	
COC(=O)CNS(=O)(=O)C(Cl)Cl	1201829716	ZWVSVMWIVNMJCG-UHFFFAOYSA-N	236.076	-0.160	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1464431233	PAUSZWOGFSYKAR-XVMARJQXSA-N	225.248	-0.438	50	10	BBGE	
COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NN	1880024931	XOYNJGVLFSLIDI-JTQLQIEISA-N	247.295	-0.094	50	10	BBGE	
O=C(NCCC(CO)CO)OCCl	1882603023	NKJAYJXWUAMICP-UHFFFAOYSA-N	211.645	-0.100	50	10	BBGE	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)OCCl	1884984643	OTKQMICEPSXOJF-RFZPGFLSSA-N	243.668	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](F)C[C@H](F)C1	1885916995	QSZOZCPRANAUDZ-VQVTYTSYSA-N	207.224	-0.253	50	10	BBGE	
OB(O)c1csnc1CN1CCSC1	1892119673	OCRKNGMLFYQAOU-UHFFFAOYSA-N	230.123	-0.671	50	10	BBGE	
O=S(=O)(CC1CNC1)NC[C@@H]1C[C@H]1Cl	1893127735	JWVGNFFQPWZRHE-JGVFFNPUSA-N	238.740	-0.248	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)/C=C/C(=O)Cl	1893497613	JEENLJYCVJWBEP-QLSVQJPWSA-N	218.640	-0.441	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCc1nn[nH]n1	1893498188	QBOJAAIFWMCQFZ-OWOJBTEDSA-N	215.600	-0.863	50	10	BBGE	
Cn1cnc(CN[C@H]2COC[C@H]2Cl)n1	1894392769	APSOZVBMOYFBMR-RQJHMYQMSA-N	216.672	-0.089	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1cnsc1B(O)O	1900466093	AWMZYPVJVYJCGT-PHDIDXHHSA-N	240.093	-0.791	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC1(NC)CC1	1901341044	OAUNNFDKBCKVEJ-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1NC[C@@H]1C	1901378152	XIYCRVCRMDXIBT-YUMQZZPRSA-N	249.336	-0.705	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](O)[C@H](C)C1	1901765090	UOQKFDOJKURYLM-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC(=O)N2CCC2)C1	1902551874	UNHSECNBIUJUMI-SNVBAGLBSA-N	226.085	-0.843	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1=O	1908357251	GMERVILDPDUFST-BDAKNGLRSA-N	240.307	-0.240	50	10	BBGE	
COC1CN(C[C@@H]2CCC[C@H](C(=O)NN)O2)C1	1909804232	DIGJKPSLVCMVDQ-WCBMZHEXSA-N	243.307	-0.755	50	10	BBGE	
Cc1ncnc(O[C@@H]2CCC[C@H]2F)c1B(O)O	1910213048	LISFLFOYCLZFMZ-HTQZYQBOSA-N	240.043	-0.266	50	10	BBGE	
C[C@@H](C[C@H](C)C(=O)NNCCO)C(=O)O	1910363830	KIQCUBWDUZGUOC-BQBZGAKWSA-N	218.253	-0.654	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOCC12CC2	1915586699	AVVBSBDMQCBILH-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
OB(O)CNc1ncc(Br)cn1	1923810363	GATHITOCDOFSLR-UHFFFAOYSA-N	231.846	-0.337	50	10	BBGE	
NNC(=O)COCCN1CC2(CSC2)C1	1928606457	SECGEXCMZZDBEP-UHFFFAOYSA-N	231.321	-0.958	50	10	BBGE	
O=C(NCCCl)[C@H]1CCS1(=O)=O	1930863159	VYJXZWBSRYFFGE-RXMQYKEDSA-N	211.670	-0.472	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)NNC(N)=S)C1(F)F	1932943564	KFUUQKGCDYPTFT-GBXIJSLDSA-N	209.221	-0.248	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1936104821	UNWYCFKXLYZZIF-IQJOONFLSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CN(C)CCN(C)C1CC1)C(=O)NN	1936678924	IGSSPYOJLPGXQR-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
CC(C)N1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941085331	CQYYRDGRJRRVOL-QWRGUYRKSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@@]1(CO)C2	1942115903	QJABIJNRZBXYGP-GMOBBJLQSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN1CCC(C)(C)[C@H](CO)C1)C(=O)NN	1943839723	BWUVTWAXXPTMEZ-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1CCCCCO1	1947241580	GUAUCQZZNAVLSX-JTQLQIEISA-N	246.307	-0.031	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1C[C@@H](C(N)=O)C1	1956256100	IYJCUZWINJVRRS-GJMOJQLCSA-N	220.700	-0.218	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(N)(CO)CC1	1957242643	PQJPRGJUGRDAQI-MRVPVSSYSA-N	217.700	-0.097	50	10	BBGE	
CCSC[C@H](NC(=O)NN(C)C)C(=O)O	1957913278	ADOLNCRUXLIVCP-LURJTMIESA-N	235.309	-0.032	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ncno1	1958695620	TXVUGIFKZXTMQW-LURJTMIESA-N	213.241	-0.730	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)ccc1Cl	1968469490	CTZCATJSLFDLQY-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cccnn1	1974772405	KPLDWMVPPVWPCB-ZETCQYMHSA-N	245.691	-0.005	50	10	BBGE	
CN(Cc1cnsn1)C[C@H]1C[C@@H]1C(=O)NN	1979643703	PWVFCJNYLVZDDT-SVRRBLITSA-N	241.320	-0.404	50	10	BBGE	
Cc1ncnc(N(C)C2CSC2)c1B(O)O	1981445561	KWEORHCIQRPTEQ-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H](NC(=O)C(=O)NN)CO1	1986868751	USGJQFXSDADNDX-RNFRBKRXSA-N	229.280	-0.704	50	10	BBGE	
C=C[C@@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1990538612	FNFHZRFBKNJSDN-MRVPVSSYSA-N	235.234	-0.766	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@H]1C[C@@H]1Cl	1991433230	PIVPYBSGLYBUDF-SFYZADRCSA-N	247.726	-0.592	50	10	BBGE	
C=C(CN1CC[C@H]2SC(=O)C=C2C1)B(O)O	1992154486	ZFBZLXDQKUCLKQ-SECBINFHSA-N	239.105	-0.171	50	10	BBGE	
C=C(CN1C[C@@H](OC)C[C@H](OC)C1)B(O)O	1992167658	OCSQXBQASHOWRJ-UWVGGRQHSA-N	229.085	-0.710	50	10	BBGE	
Cn1nc(C(=O)OC(C)(C)C)cc1B(O)O	1993687943	CVTTZGUMUQTNNO-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
C[C@@]12CC[C@H]1CN(CCOCC(=O)NN)C2	1995636926	CUTMDKWUAFWOPG-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@@H]1CCCNC1=O	2004308454	CRXJMSSZYIDOOF-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]([C@@H]2CCOC2)C1	2004397366	WGNVIDSXYFBHPM-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2004916357	KTWGBUODQJKGST-NQMVMOMDSA-N	233.080	-0.609	50	10	BBGE	
CN(CCC1CCC1)c1ncc(B(O)O)cn1	2004917138	VAVMCEALKUXUHS-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CC(C)c1ncn(-c2ccc(B(O)O)cn2)n1	2005006050	ZMRQRZYHOZTNEA-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@]3(C)C2)c(B(O)O)c1	2005014853	RPPLRKCDSPRBCB-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C(=O)N(C)C)C1	2008308453	PVCFYXQFBXDAAT-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CCC(F)(F)C(=O)NN	2014231682	QVQQZDVRFHKQHK-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
CO[C@@H]1CCN(C(=O)NN(C)C)[C@@H](C(=O)O)C1	2014385548	QHRGQHXGQMEOIU-HTQZYQBOSA-N	245.279	-0.263	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@@H]1CF	2016763868	NZLUPKPFTYWGJK-SFYZADRCSA-N	237.039	-0.090	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@H](O)C[C@H]2C1	2024502455	IEWYBWWMFPXISB-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)C1(C)COC1	2026712930	MDJFTGVVYBIJJQ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@H]1C[C@@H]1C(=O)NN	2028050517	IBCCCVLVKYPIHT-ZJUUUORDSA-N	246.270	-0.346	50	10	BBGE	
CN1CCN(C)[C@@H](C(=O)N2CC=C(C#N)CC2)C1	2038248132	BAJITIKYIKXXHN-GFCCVEGCSA-N	248.330	-0.086	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC=C[C@H](O)C1	2046610585	HLLAMQQPPGQFTI-VIFPVBQESA-N	248.286	-0.582	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2COC[C@H]2C1	2052621069	BKLQATDRUOZEOU-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
CCOc1ccc(OC)c(B(O)O)c1C#N	2060203297	YXZJAXMNWSMDEZ-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CC#CCC(=O)NCCc1ccc(B(O)O)cc1	2086603106	KTVDYQKQOVDRTN-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
O=c1cnccn1Cc1ccc(B(O)O)s1	2211072568	NLOGXVCLPXLFLZ-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)[C@@H](F)C2)CCC1	2212263690	WVNQVNMOZVNSMX-YUMQZZPRSA-N	231.271	-0.839	50	10	BBGE	
OB(O)c1cnc(N2CCC=C(Cl)C2)nc1	2212603201	DHRZZXYIBSXEGK-UHFFFAOYSA-N	239.471	-0.511	50	10	BBGE	
CC1CC(N(C)c2cc(B(O)O)ccn2)C1	2212614451	DMZDGWVQCKAJDU-UHFFFAOYSA-N	220.081	-0.004	50	10	BBGE	
CN[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214596903	SDORDAYWDIIIGK-GFCCVEGCSA-N	234.108	-0.840	50	10	BBGE	
CN1CC[C@H](N(C)C[C@@H]2CC[C@H]2C(=O)NN)C1	2215773552	BPBBIPMPEGDDJD-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C=CCOC(=O)Nc1ncc(B(O)O)c(C)n1	2216300832	OKAVBTXHUIHRSS-UHFFFAOYSA-N	237.024	-0.801	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@@H](O)C2)cc1B(O)O	2217181492	QLWQIHITLMVJON-DTORHVGOSA-N	236.080	-0.747	50	10	BBGE	
COCC(C)(C)CNc1ccc(B(O)O)cn1	2217196087	CEBKBHFFUQIEBS-UHFFFAOYSA-N	238.096	-0.154	50	10	BBGE	
CC[C@@H]1C[C@H]1CCn1cc(B(O)O)cnc1=O	2217411207	QHGXQCLOOYBDCV-RKDXNWHRSA-N	236.080	-0.641	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2C[C@@H]3C[C@@H]3C2)n1	2222641902	ADUHOPVYBHJTMJ-MYJAWHEDSA-N	247.107	-0.300	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2ncccc2B(O)O)[C@@H]2C[C@@H]12	2223639492	RMUWSASUSVYRQY-CKEKPRIKSA-N	248.091	-0.810	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](Nc1ccc(B(O)O)cn1)C2	2223643795	AJUKPDDFGLWFNL-ZMLRMANQSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@H]3CC[C@H]2N3)nc1	2223651797	DZKIARVSKJRBQQ-MXWKQRLJSA-N	247.107	-0.544	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@]12CCC[C@H]1C2	2243349206	HTBXNQLRZMNJGS-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
CC[C@@H](C)N(CCOC)C(=O)C#CB(O)O	2243361637	DYFGMQJSTAWDKO-SECBINFHSA-N	227.069	-0.725	50	10	BBGE	
COCCNC(=O)c1cc(B(O)O)c(C)s1	2243380912	AGAJZTCPXLCGCT-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
CN(CCCF)C(=O)c1cc(B(O)O)cs1	2243385155	DHLSFBMVXBHRJC-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCOCC1	2243396377	LMPGLCHNUJJPGJ-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1cccc(O)c1	2243401386	QJYUYXIEBYLFMV-UHFFFAOYSA-N	219.005	-0.630	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243414375	ZNZJHHCMKMKYDH-ABXGFROZSA-N	227.069	-0.875	50	10	BBGE	
CO[C@H](C)CSc1nc(C)ncc1B(O)O	2243648514	BOJRXDZWKNHUNY-ZCFIWIBFSA-N	242.109	-0.408	50	10	BBGE	
C=C[C@@H](C)CCN=c1ncc(B(O)O)c[nH]1	2245057862	JGEKWBAQLBHQBL-MRVPVSSYSA-N	221.069	-0.798	50	10	BBGE	
CC[C@@H](C(=O)NN)n1cc(S(C)(=O)=O)cn1	2245204466	RZENSRDDVQVBDO-ZETCQYMHSA-N	246.292	-0.772	50	10	BBGE	
Cc1cnc(S[C@H]2CC[C@H]2O)cc1B(O)O	2245949593	WNQVAHBYJREXPV-BDAKNGLRSA-N	239.105	-0.315	50	10	BBGE	
COC[C@]1(C)CCCN(C(=O)C#CB(O)O)C1	2247741180	WCLAISKCRWQSEF-LLVKDONJSA-N	239.080	-0.723	50	10	BBGE	
CC(C)(C)[C@H]1CN(C(=O)C#CB(O)O)CCO1	2247743646	HABXVDVKSDZJDT-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CC2)[C@@H](C)C1	2247757954	YQOXPWFSQFKVKB-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
O=C(NCCc1ncccn1)C1(B(O)O)CC1	2247758064	SLBGCHLFSBDSKG-UHFFFAOYSA-N	235.052	-0.858	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247782623	VYMGBPNUZCBXEL-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(C(=O)NC2[C@@H](C)[C@@H]2C)oc1B(O)O	2247789410	VRJDTUBBHVMDTC-BQBZGAKWSA-N	237.064	-0.348	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1[C@H](CO)C2	2247797591	LFMUTUAWSZJEAN-CIQUZCHMSA-N	239.080	-0.779	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1C	2247798015	PLNHDMOICLMVGY-IUCAKERBSA-N	237.068	-0.792	50	10	BBGE	
N[C@H]1CC12CC(NC(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247804515	HBLDPVUMLKPRFQ-IAACVSQYSA-N	238.096	-0.765	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809213	YHXHRXWQADZILS-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
CCCN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1B(O)O	2247809248	YNTPXMNESJANDM-RKDXNWHRSA-N	243.112	-0.141	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1cc(B(O)O)c[nH]1	2247849664	CYALPXLHFHPZBL-SSDOTTSWSA-N	236.080	-0.387	50	10	BBGE	
CCCONC(=O)c1ccc(C)c(B(O)O)c1	2247855720	XCZJESHBHXNQQM-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
Cc1cccc(C(=O)N2CC(C)C2)c1B(O)O	2247873710	FJPJPOPNJQECSS-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CC2)oc1C	2247879979	ZPXGOSWKGSCSSY-UHFFFAOYSA-N	238.052	-0.085	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247899299	MEIGZNAABUQIHL-FXPVBKGRSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC([C@@H]2CC2(F)F)C1	2247899606	ORGTVUUCLZTFBE-CSMHCCOUSA-N	245.034	-0.037	50	10	BBGE	
O=C(N[C@@]12CC[C@@H]1CNC2)C1CC(B(O)O)C1	2247904590	QMCLWQTXRBAPKN-FOLWWEGKSA-N	238.096	-0.892	50	10	BBGE	
C[C@](CN)(NC(=O)C1CC(B(O)O)C1)C1CC1	2247910890	RZNIYSIAOFCHQN-LKXRVVKTSA-N	240.112	-0.517	50	10	BBGE	
CN(CCF)C(=O)c1ccc(B(O)O)cc1O	2247986173	RLPJFOMLAPKTBF-UHFFFAOYSA-N	241.027	-0.887	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)[C@H]1C[C@@H](C(=O)O)C1	2248590340	CJFQXZDFMMKSCF-YWIQKCBGSA-N	241.052	-0.829	50	10	BBGE	
CCN(CCCC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248590831	IPYGBKBDQOHXQJ-SFYZADRCSA-N	243.068	-0.437	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cccc(B(O)O)c1	2249302052	ZGHANCIXIXURSK-QMMMGPOBSA-N	239.055	-0.204	50	10	BBGE	
C[C@@H](c1cccc(O)c1)N(C)C(=O)C#CB(O)O	2255465781	ONFUBUCDKOQGPO-VIFPVBQESA-N	247.059	-0.073	50	10	BBGE	
CC#CCCCNC(=O)c1ccc(B(O)O)cn1	2255518022	YPHXAMHKJLKLKJ-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)c1ccoc1	2255552801	PRQMLKDMFXJHOE-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3ccc(B(O)O)o3)[C@@H]1C2	2255670720	ZWBODMQKEAODKW-JOAULVNJSA-N	249.075	-0.122	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nc1ncc[nH]1	2255718561	BDCUGFJJZGJRBW-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@]12CCC[C@H]1C2	2255727812	VVHXELPVDQFXHP-UFBFGSQYSA-N	249.075	-0.060	50	10	BBGE	
Cc1cnc(OCC23CC(CO2)C3)cc1B(O)O	2260687543	BEIRPKGPOOWUBK-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@H]1CCN(CCNc2ncccc2B(O)O)C1	2261462726	QBPZYASWYFHMHR-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368587	NJBGGXHVCFBDQL-KJFVXYAMSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2NCC[C@@H]21	2298369569	YOGFKKXFVOXEJP-JLIMGVALSA-N	238.096	-0.798	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1CO	2298370760	KVFRHHFNFJKOBY-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
CC(C)[C@H](C)[C@@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298374644	HCDBDVKAUWHWMT-JLIMGVALSA-N	242.128	-0.415	50	10	BBGE	
C[C@@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298374853	PYIQKFIEQLHQTM-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@H]21)[C@H]1C[C@H]1B(O)O	2298759082	HXWQJNHILGDWTH-UTINFBMNSA-N	238.096	-0.940	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)C1(B(O)O)CCC1	2302517389	WNIPVAUOGVBCPK-VIFPVBQESA-N	243.112	-0.141	50	10	BBGE	
C[C@@H]1CC2CC(C(=O)NCC#CB(O)O)(C2)O1	2303048966	JKLVSSBSOBHIHA-FKTRJACZSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303110190	YEUSJJMWXQHOEY-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303111203	HBRCQBJJWTZMEO-MWLCHTKSSA-N	240.112	-0.454	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2312848151	PMUJZAJVFXNWBO-KDXUFGMBSA-N	247.059	-0.560	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(B(O)O)cc2C#N)CN1	2317162631	SMWMDCCKIPDANJ-KCJUWKMLSA-N	246.075	-0.633	50	10	BBGE	
CC(C)(C)OC(=O)NNC[C@H](O)CO	39093385	TWQUFANMGSLBHZ-LURJTMIESA-N	206.242	-0.631	50	10	BBGE	
C[C@H](Br)C(=O)NC(C)(CO)CO	58854295	YXYRLNBUMHBUCO-YFKPBYRVSA-N	240.097	-0.371	50	10	BBGE	
CC[C@@H](Br)C(=O)NCC(N)=O	61487350	XSVCWWHDWOAWAK-SCSAIBSYSA-N	223.070	-0.239	50	10	BBGE	
O=C(O)[C@@H]1NC(O)=NC(=O)[C@@H]1Br	62722497	TWHXMCSPQHQVFV-JCYAYHJZSA-N	237.009	-0.753	50	10	BBGE	
Cc1ccc2c(c1)NCC(=O)N2CC(=O)NN	76890427	OYDPDQYZQMCRQQ-UHFFFAOYSA-N	234.259	-0.257	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC(=O)N(C)C	86313402	AACRBHULKNGRCW-JGVFFNPUSA-N	230.312	-0.979	50	10	BBGE	
CNCCCN(C)[C@H](C)CCC(=O)NN	87472906	WWUDCHVBJSFLHD-SECBINFHSA-N	216.329	-0.314	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1nccn1C	93071972	UDLNBAFSPZRRHS-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NCCNC1=O	139254683	FEDLNWBWMJUOFX-SREVYHEPSA-N	209.205	-0.953	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(O)CCOCC1	162489602	WJQOOIMIXOZSOW-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](N)C2)o1	203223853	SAOXVXXDVDMUOC-ZETCQYMHSA-N	224.264	-0.584	50	10	BBGE	
CCN(C)Cc1cc(F)cc(B(O)O)c1	211695661	XOAQOLJBHQNRNL-UHFFFAOYSA-N	211.045	-0.043	50	10	BBGE	
COC[C@@H]1CCN([C@H](C(=O)NN)C(C)C)C1	227100928	MKVJSDFMRJEVNS-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
COC[C@H](Sc1ncccc1N)C(=O)NN	232421569	FCQVXDNSJDWIPI-ZETCQYMHSA-N	242.304	-0.239	50	10	BBGE	
COC(=O)[C@@H](Br)CNC1COC1	234563392	ZOXIQORKCUCNRH-LURJTMIESA-N	238.081	-0.089	50	10	BBGE	
CCC[C@@H](N)C(=O)NNC(=O)OCC	236975232	UAUGNXQFHIVLRD-ZCFIWIBFSA-N	203.242	-0.109	50	10	BBGE	
Nc1cccc(C(F)(F)F)c1B(O)O	238620058	AQABRJSWRHOKEF-UHFFFAOYSA-N	204.944	-0.033	50	10	BBGE	
NCCSCc1ncccc1C(=O)NN	300796820	VPKJOEOMXBJPKQ-UHFFFAOYSA-N	226.305	-0.123	50	10	BBGE	
COC(=O)NCCNS(=O)(=O)CCCl	308152774	PGWMMIDLMHFCID-UHFFFAOYSA-N	244.700	-0.499	50	10	BBGE	
CCCN([C@@H]1CCOC1)[C@H](COC)C(=O)NN	310483370	DIVXOLDZMZXQFX-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCn1ncnn1	379811878	PMXOQHCAIWUCQL-LURJTMIESA-N	217.660	-0.336	50	10	BBGE	
CCOC1CN(Cc2ccc(B(O)O)cc2)C1	383069061	SCIFAIWYMGNWFZ-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
NNC(=O)[C@@H](C(=O)O)[C@@H]1CCCC[C@H]1O	383973814	PXQLPPSFYUQIFW-QYNIQEEDSA-N	216.237	-0.772	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C(N3CCCC3)[C@@H]2C1	384224787	FBOIOYSPIBBYND-NXEZZACHSA-N	238.335	-0.608	50	10	BBGE	
N#CCCc1ccc([N+](=O)[O-])c(B(O)O)c1	396045177	AGGMTAAHFUICRK-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
CC(C)OCC(=O)Nc1cc(B(O)O)ccn1	404997027	IIFWZDCSZXBMKM-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C(=O)O1	688530151	KGGXSGUSKSNIHC-BWZBUEFSSA-N	243.263	-0.635	50	10	BBGE	
CC(C)(O)C(=O)N1CCC(O)(C#N)CC1	692092063	OUGMNFGWSDGDBY-UHFFFAOYSA-N	212.249	-0.366	50	10	BBGE	
CCN(C[C@H](C)O)[C@@H](C)[C@@H](C)C(=O)NN	692168631	ICQLQVZAJFNVTO-YIZRAAEISA-N	217.313	-0.296	50	10	BBGE	
CO[C@@H](Cn1ccc(B(O)O)n1)C(C)C	694228502	MDMDXHCVPXQGKR-QMMMGPOBSA-N	212.058	-0.766	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2cn(C)nn2)c1	699671801	YIWHLMNZMGQGNR-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cccnn1	700699695	DXGFFENTEGWUGL-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1ncc(B(O)O)s1	704170783	XETSQBFBETVGEK-RXMQYKEDSA-N	243.097	-0.257	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C(C)(C)CCO	707918898	QNFIUJHGCWXUED-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H](C)C(N)=O	711139333	BIXCYSNVFRWKPG-HTQZYQBOSA-N	230.312	-0.803	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1CSC1	718293928	HBGJOLOZBMWSKI-LURJTMIESA-N	203.311	-0.340	50	10	BBGE	
O=S1(=O)CC(CN[C@@H]2COC[C@@H]2Cl)C1	722780045	NELJAQHYNKNHJR-JGVFFNPUSA-N	239.724	-0.373	50	10	BBGE	
CN(C)NC(=O)[C]1CN=C(CN)S1	725606235	LAUXPEXPRAMSOY-UHFFFAOYSA-N	201.275	-0.785	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnn[nH]1)c1ccco1	741688365	KSAIFLPWXDLQOV-LURJTMIESA-N	249.230	-0.038	50	10	BBGE	
N#Cc1cccc(CC(=O)NNC(=O)CO)c1	753436978	FMMRVNQMLMXLES-UHFFFAOYSA-N	233.227	-0.760	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cnn[nH]2)CCC1	781964163	HZARIDKPQGLILO-UHFFFAOYSA-N	239.235	-0.865	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1nnn(C)c1C	909435908	ULGLTCAMIHBECZ-PLNGDYQASA-N	223.236	-0.539	50	10	BBGE	
CCN(C)C(=O)c1ccc(F)c(B(O)O)c1	1088235718	MPEUKAWZSOBVLA-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C\[C@@H]1CCOC1	1138284543	RZFWDLGZQWKMEU-TUUFMJSCSA-N	242.275	-0.503	50	10	BBGE	
O=S(=O)(CCl)NC[C@H](O)CF	1260939238	PQBYXJNXQIZWCI-SCSAIBSYSA-N	205.638	-0.568	50	10	BBGE	
O=C(NNc1ncncc1Cl)C1(O)COC1	1296464953	MWABRTDIYIKHOQ-UHFFFAOYSA-N	244.638	-0.666	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc(O)c1	1442296703	SPLZAVSASGOJJY-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncon2)no1	1463142630	GCNAPXVKMUSGNC-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
C=CCNC(=S)NNC(=O)C(=C)CN(C)C	1538840896	CDRFVZVIKAFHCQ-UHFFFAOYSA-N	242.348	-0.215	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1ccn(C)n1	1611267814	NWUBCQVCJKYDOH-MRVPVSSYSA-N	222.248	-0.099	50	10	BBGE	
O=C(NNC(=O)C1CCC1)c1cnncc1O	1628934477	LGKXPPSSTLIECO-UHFFFAOYSA-N	236.231	-0.257	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1F	1638295945	JTPKJCKEFNCEDY-PHDIDXHHSA-N	203.217	-0.947	50	10	BBGE	
CNNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C	1879962233	WSMZMWODHQZYMI-ZCFIWIBFSA-N	233.268	-0.877	50	10	BBGE	
O=C(CCCCl)NCC[C@H](O)CO	1882383665	VNQBJEQEYQCSSM-ZETCQYMHSA-N	209.673	-0.135	50	10	BBGE	
CS(C)(=O)=NCCC(F)(F)C(=O)NN	1885136600	ZSTLXQUASLJTFI-UHFFFAOYSA-N	229.252	-0.271	50	10	BBGE	
O=C(NCCOC1CNC1)[C@@H]1C[C@@H]1Cl	1887448022	XIISQHDWBXROKO-SFYZADRCSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)C(=O)NN	1890503078	HGNQWGIQYJOXDG-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
CC(C)OCCN1CC[C@H](B(O)O)C1	1891560732	XKGINKIJTZFGBK-VIFPVBQESA-N	201.075	-0.040	50	10	BBGE	
CCN(CC)C(=O)NCC=CB(O)O	1892923763	JJOYXGZBWKMYEV-UHFFFAOYSA-N	200.047	-0.394	50	10	BBGE	
NC[C@@H](CO)C(=O)NCC1CC(Cl)C1	1893509371	MLVAUWKGPGXDCK-WTIBDHCWSA-N	220.700	-0.313	50	10	BBGE	
COc1ccnc(OC)c1[C@@H](N)[C@@H](O)C#N	1894490988	GNWSYEKBRYKHMO-RCOVLWMOSA-N	223.232	-0.017	50	10	BBGE	
CCN(CCO)CCC[C@H]1C[C@H]1C(=O)NN	1900529624	XVWYYQOCGXPMLO-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
OB(O)[C@H]1CCN(CCCn2ccnc2)C1	1902505468	IJXAHGJQGPBDMF-JTQLQIEISA-N	223.085	-0.178	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2COCCCO2)C1	1902518548	UKECTMWNFWLGBM-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@H]1C[C@@H]1C(=O)NN	1913438502	DRNMSDFBNXTMMK-SFYZADRCSA-N	249.336	-0.718	50	10	BBGE	
CC[C@@H]1CCOCCN1[C@@H](C)C(=O)NN	1913639712	ORMKPPRLGQTYHT-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914254129	IHSQTUKRRSHLBC-IWSPIJDZSA-N	215.297	-0.544	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@@H]1C#N	1914860833	LGVVUHCLJUUSDA-ZETCQYMHSA-N	201.657	-0.109	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC2(COC2)C1	1915567975	MBQIAFZGZZCBRC-VIFPVBQESA-N	227.308	-0.277	50	10	BBGE	
COCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1916281671	QAUULYHHWFOXLT-IUCAKERBSA-N	213.281	-0.809	50	10	BBGE	
CC[C@@H](N=[S@](C)(=O)CCOC)C(=O)NN	1918071668	HLXJDEHYKXAOND-KWKYVRJSSA-N	237.325	-0.501	50	10	BBGE	
O=C(CCCl)N[C@@H]1COC[C@H]1CO	1928734594	BJENELMMXRSYFF-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
O=C1CN(C[C@H]2CC=CCO2)CC(=O)O1	1931602227	VTLMYVMZNOLACS-MRVPVSSYSA-N	211.217	-0.283	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(C)C1	1932250759	YPDJZDFMTQAVBQ-XKSSXDPKSA-N	213.281	-0.667	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC[C@H](Cl)C1	1933141465	SOFGNFSMTNPAND-ZETCQYMHSA-N	237.708	-0.129	50	10	BBGE	
Cn1cnnc1[C@@H]1CS(=O)(=O)C[C@H]1Cl	1934445476	JCMDLBIYCBDZKV-PHDIDXHHSA-N	235.696	-0.066	50	10	BBGE	
CO[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936087711	FRKTVKSPUFJXSI-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)CCO1	1936530602	BPQZXFNANPVWDL-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CN(C)[C@@H]1CN(CCn2cnnn2)C[C@H]1Cl	1936883067	RJDXNXAZNQNSOW-RKDXNWHRSA-N	244.730	-0.474	50	10	BBGE	
CN(Cc1csnn1)CC1(C(=O)NN)CC1	1938249605	XDFYMBCBCUWPLN-UHFFFAOYSA-N	241.320	-0.260	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@@H](CO)C2	1939967005	JEBIUMCDXWREMY-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
COC1(CCl)CN(C(=O)[C@H]2COCCO2)C1	1940016028	VMJYDZWDVRBUJM-MRVPVSSYSA-N	249.694	-0.132	50	10	BBGE	
COC1(CCl)CN(C(=O)Cn2cncn2)C1	1940018210	ISBWBJPADAVYDZ-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCNC(=O)CC1	1941631886	XJVFDPQARAPDIR-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1942116423	VJTXFWGEZSYRBN-NHCYSSNCSA-N	241.335	-0.008	50	10	BBGE	
CN(CCC(=O)NN)CC12CCCN1CCC2	1949284059	FZVYFLQUCJVKOF-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCCO1	1951321865	KJSJROMJENENRO-SCZZXKLOSA-N	227.069	-0.369	50	10	BBGE	
O=S(=O)(NC1CN(CCCl)C1)C1CC1	1956336471	FYPVSIFAYSGYCH-UHFFFAOYSA-N	238.740	-0.009	50	10	BBGE	
CN(C(=O)NN)[C@H]1COCCC1(F)F	1956608728	KVGVAWCEXIWTBL-YFKPBYRVSA-N	209.196	-0.074	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@]12CC2(F)F	1956904001	JANDSCGJCFLLLO-CVYQJGLWSA-N	205.164	-0.269	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1nc(B(O)O)cs1	1956965982	NUBBAOKJXYAFFZ-RITPCOANSA-N	212.083	-0.333	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C[S@](C)=O)C1	1957671359	CXNARIFKTOTCRT-ZIDLFYJRSA-N	233.337	-0.935	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1957675149	NSUOSBZPJAMKEB-AYVTZFPOSA-N	233.337	-0.935	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2OCC[C@H]2O1)C(=O)NN	1959595539	KGRJBDKVXHFPNQ-RNJXMRFFSA-N	215.253	-0.552	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C)(C#N)C1	1961494713	APYJNSPBGJPTJU-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1cncnc1OCCC1CC1	1961686443	DTIDJVHQGIHRCN-UHFFFAOYSA-N	208.026	-0.665	50	10	BBGE	
OB(O)c1cccnc1N1CCSCC1	1961694331	MXTBOAKFKDCQCW-UHFFFAOYSA-N	224.094	-0.685	50	10	BBGE	
CN1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1964511270	YQCAUTSNUQHGDY-UWVGGRQHSA-N	240.112	-0.597	50	10	BBGE	
CN(C)C[C@@H]1CCN1CC1(C(=O)NN)CC1	1976934670	VCJMJQRPINSMJA-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CO[C@H]1C[C@H](O[C@H](C)C(=O)NN)C[C@H]1OC	1979354134	QMOIRRQIEHATRL-BGZDPUMWSA-N	232.280	-0.426	50	10	BBGE	
OB(O)c1cnc(N2CCCCCO2)nc1	1981408712	DMOYYNIQHSNITJ-UHFFFAOYSA-N	223.041	-0.922	50	10	BBGE	
Cc1cnc(-n2ccc(C)n2)c(B(O)O)c1	1981454998	SMAMIKGHHUPMRZ-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C)(F)C2)n1	1981472122	NUJBLEYMNVVTQF-UHFFFAOYSA-N	225.032	-0.987	50	10	BBGE	
Cc1ccnc(N(C)[C@H]2C[C@@H]2C)c1B(O)O	1981529409	CYHUQKCQLPKJHK-IUCAKERBSA-N	220.081	-0.086	50	10	BBGE	
C=C[C@@H](C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1981695457	CVEOENXNPKRLAT-RQJHMYQMSA-N	229.041	-0.759	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCC[C@@H]1F	1982677577	BEHKHFGZWDYYAG-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1C(COc2ncncc2B(O)O)[C@H]1C	1985913010	ZXXJPKGOMPXBSP-BQBZGAKWSA-N	222.053	-0.563	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@@H]1CCN1C	1987092908	QBLVTKNITHRXGW-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
Cc1ccnnc1CN(C)[C@H](C)C(=O)NN	1989767424	ZNQLENQJYSPGTO-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CCCCC(=O)NN	1990038393	GCGUYHBYLJGCEN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
O=C1CN(C[C@@]23CCOC[C@H]2C3)CC(=O)O1	1990414619	JUKGFIZCPAKWTB-KCJUWKMLSA-N	225.244	-0.202	50	10	BBGE	
COCC1(N(C)CC(=O)NNC(C)=O)CC1	1990774319	HIDBYQRPEFSCAP-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1991700111	NQCRZSCWSVHROM-PZHLWGRFSA-N	245.706	-0.044	50	10	BBGE	
O=C(NCC#CB(O)O)N1CCCCCC1	1992143064	NMQBQKRRFXAQKJ-UHFFFAOYSA-N	224.069	-0.413	50	10	BBGE	
O=C(NCCCF)c1ccccc1B(O)O	1992836648	PKHFGTHMNRPZHC-UHFFFAOYSA-N	225.028	-0.544	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)[C@H](C)C1	2000984836	SQQZCWXBEIFZEY-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
C[C@H](CN1C[C@H](CO)OCC1(C)C)C(=O)NN	2002291064	RMWCTIBBELBULU-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H]1CC[C@@H](C)N1c1ncncc1B(O)O	2004919596	AZUNSUFVSBLDMM-BDAKNGLRSA-N	235.096	-0.076	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2[C@@H](C1)C2(F)F	2004930177	RTZNQCPBBJNDKQ-RNFRBKRXSA-N	240.018	-0.537	50	10	BBGE	
COc1cnn(-c2ncc(B(O)O)cc2F)c1	2005005630	UBCJZULDZFMVNN-UHFFFAOYSA-N	236.999	-0.905	50	10	BBGE	
Cc1cc(N2CCO[C@@H]3C[C@H]32)ncc1B(O)O	2005014190	HYKUGFJGSSOSAA-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
COCC(C)(C)Cn1cc(B(O)O)ccc1=O	2008841254	XZPRJDOHKVUZJH-UHFFFAOYSA-N	239.080	-0.799	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CC(n2ccnc2)C1	2011112003	KPQNVFQMQBLRSO-IDKOKCKLSA-N	237.307	-0.103	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1cc(C(=O)NN)co1	2011153645	HFYOLMFAIPIROU-GMSGAONNSA-N	239.275	-0.162	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@@H]32)cc1	2013467583	FLSSOGAQPXKDKF-JQWIXIFHSA-N	233.076	-0.803	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)CCOCC(=O)NN)C1	2014040867	YFWOWHPKKUORNM-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@H]1C[C@H]1C(=O)NN	2014823767	JLSPQENOPBEGEM-RKDXNWHRSA-N	242.323	-0.978	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1C1CCOCC1	2017109424	FVZMVWMUYDBOLA-VIFPVBQESA-N	241.291	-0.606	50	10	BBGE	
C=C(CN1CC[C@H](c2ccnn2C)C1)B(O)O	2021159369	RRQLIIYVZVFXRW-JTQLQIEISA-N	235.096	-0.222	50	10	BBGE	
O=C(NNCCO)[C@H]1CC(c2ccccc2)=NO1	2031839776	NXGFLPFXVDXEOQ-LLVKDONJSA-N	249.270	-0.207	50	10	BBGE	
C=C1CON(Cc2ccc(OC)c(B(O)O)c2)C1	2032262839	VHOKQCWNEDCSME-UHFFFAOYSA-N	249.075	-0.322	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)nc1	2052470168	AIZXHMAOAOWPAU-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@H]2C[C@@H]2C1	2058160935	OUXDQRHJFRHTMB-VWYCJHECSA-N	247.103	-0.036	50	10	BBGE	
COc1cc(C#N)c(B(O)O)cc1OC(F)F	2060292187	BHBDTKBDWPVAPO-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccc2ncnn12	2064367080	DGJAZZFVRBPAQH-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](N=c2[nH]ncn2C)C1	2209804522	FOLPDYTYCMKIRI-RNFRBKRXSA-N	215.688	-0.430	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CC1(C(=O)NN)CCCC1	2212447679	DQWZKJVWUDATKK-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1ncccc1B(O)O	2212601581	PXMQULXRJDIQDQ-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H]1[C@@H](CNc2ncc(B(O)O)cn2)C1(F)F	2217174982	BIHGNCOJIAVFEG-IYSWYEEDSA-N	243.022	-0.531	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3cc(B(O)O)ccn3)C[C@H]21	2217176272	ULEQJWGHHMCGOD-KKZNHRDASA-N	232.092	-0.146	50	10	BBGE	
Cc1cnc(N[C@H](CO)C(C)C)cc1B(O)O	2217180238	RIWDOUDBHGVHKN-SNVBAGLBSA-N	238.096	-0.501	50	10	BBGE	
CCC[C@H](CCO)Nc1ncc(B(O)O)cn1	2217181672	SUZSVFCIXDXNQP-SECBINFHSA-N	239.084	-0.881	50	10	BBGE	
CNCC1(COc2ncccc2B(O)O)CC1	2217185212	ZHSQYDYETIHTCN-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
COCCCCCN=c1ccc(B(O)O)c[nH]1	2217185423	XCQOMEBBVUJHHD-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
CNCC1(Oc2cc(B(O)O)ccn2)CCC1	2217194266	TZIHBHPHGKLGCM-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CN(Cc1ccon1)c1ncccc1B(O)O	2217198933	IGKDRVPURRGFQG-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1cc(B(O)O)ccn1	2217200930	VXPZQXWBXVTPOV-LDYMZIIASA-N	238.071	-0.054	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2N1Cc1cccc(B(O)O)c1	2220065385	ZETWRAYATYXONO-NEPJUHHUSA-N	245.087	-0.123	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1nccn1C	2223633716	AENHSNOGFJQLNG-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
CC(C)(N)[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2223643970	CMOGCKRYQMJXOH-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
N#C[C@H]1CCCN(c2nccc(B(O)O)c2F)C1	2223644429	IZLZLWYAFQXRGV-MRVPVSSYSA-N	249.054	-0.360	50	10	BBGE	
CCC1(CNc2cc(B(O)O)c(C)cn2)CNC1	2223645497	ALFFMANPEMMUOD-UHFFFAOYSA-N	249.123	-0.519	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CCNC[C@@H]32)nc1	2223648206	IOTBIZCDIAVAHG-GARJFASQSA-N	247.107	-0.971	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3NCC[C@H]23)c1	2223674551	LQFABEIKOZKXFR-JMJZKYOTSA-N	247.107	-0.829	50	10	BBGE	
CO[C@H]1C[C@H]1NS(=O)(=O)N1CC(Cl)C1	2241338710	QHKFAZWOOFXQOK-RQJHMYQMSA-N	240.712	-0.469	50	10	BBGE	
CN(CC1(O)CNC1)C(=O)[C@H]1C[C@H]1Cl	2241933129	RCUCCBJCFULALO-NKWVEPMBSA-N	218.684	-0.594	50	10	BBGE	
C#CC(CO)(CO)NC(=O)OCCl	2242272694	ILNKGDSGVBQCOX-UHFFFAOYSA-N	207.613	-0.735	50	10	BBGE	
CO[C@H](CBr)CNS(C)(=O)=O	2242441099	QPQFJGLOTAAWCN-RXMQYKEDSA-N	246.126	-0.055	50	10	BBGE	
CN(C[C@@H]1CCC1(C)C)C(=O)C#CB(O)O	2243349309	JJTYKXWUPAYGRN-VIFPVBQESA-N	223.081	-0.104	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc(O)ccc1Cl	2243356760	MNPJPTTWGLIWMG-UHFFFAOYSA-N	239.423	-0.001	50	10	BBGE	
CC(C)(CN)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243391664	MZLPGBNORXXNJV-ZKCHVHJHSA-N	228.101	-0.660	50	10	BBGE	
C[C@H](CCO)N(C)C(=O)C1CC(B(O)O)C1	2243395757	BMQWLRHKOUDPPT-AFPNSQJFSA-N	229.085	-0.531	50	10	BBGE	
C[C@@H](O)C[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396175	ISUKHMAJCVBWJC-FNCVBFRFSA-N	229.085	-0.485	50	10	BBGE	
C#CCN(CC)C(=O)c1coc(B(O)O)c1	2243398142	NGHRRYPUWOZDRS-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2243400326	ZHBMJSXFBXQBBJ-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
Cc1ccc(N(C)C(=O)C#CB(O)O)cc1	2243403698	BEHNIVBQVZOUCC-UHFFFAOYSA-N	217.033	-0.027	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccsc1B(O)O	2243407916	CDXQJWGYUDGQMS-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
CN(CC[S@](C)=O)C(=O)C1(B(O)O)CCC1	2243409762	OHWCOQSLABWILY-INIZCTEOSA-N	247.125	-0.780	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H](C)C(C)C)B(O)O	2243412655	QTJKNDDFKLYGQN-VIFPVBQESA-N	249.141	-0.139	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243427299	SULJLYRBEQYZEU-CIUDSAMLSA-N	227.069	-0.610	50	10	BBGE	
C=CC(=O)N1CCc2cccc(B(O)O)c21	2243675263	UAQFILSQQNSAGM-UHFFFAOYSA-N	217.033	-0.559	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C(F)F	2244218077	VICGUTNPUNUZCY-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
NNC(=O)CCCN1CCn2cncc2C1	2244397818	ZNZCRTVEQDJTEH-UHFFFAOYSA-N	223.280	-0.531	50	10	BBGE	
OB(O)c1cc(N2CC(CF)C2)ncc1Cl	2245912534	BTWZRPAKCWNUQR-UHFFFAOYSA-N	244.462	-0.180	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1	2247737904	LOIWNQVQFQERBK-CKIJPRSSSA-N	233.076	-0.494	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1ccoc1B(O)O	2247743119	ZEYFHMICJYHBOE-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247758280	YVWOLFQUTGXYDL-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
COc1ccc(C(=O)N2CCC2)cc1B(O)O	2247758552	LYBZHRYMTINDHP-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785023	FAAZFIJAOQTNPP-XCBNKYQSSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2247787276	MVJHKOVBDNNGHQ-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
O=C(Nc1nccc(O)n1)[C@H]1C[C@@H](B(O)O)C1	2247792042	QHGVMHOQSWNWTO-OLQVQODUSA-N	237.024	-0.626	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC=C(F)C1	2247853912	UKGLAAGFRHFVGK-UHFFFAOYSA-N	236.011	-0.929	50	10	BBGE	
CC1(C)CCN1C(=O)c1cncc(B(O)O)c1	2247866915	VHKLQGFRRYZPEY-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
C[C@H](CCN(C)C)NC(=O)C1(B(O)O)CCC1	2247880066	YBUBSTUZGZENTK-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2COC[C@@H]21	2247892731	GWMPMNZKEDVXAO-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCCC1CC(O)C1)[C@H]1C[C@H](B(O)O)C1	2247894592	ISONKXHRIHNRNA-LRHSEUGZSA-N	241.096	-0.483	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900795	ZSANOUNXQXXXMA-ZYUZMQFOSA-N	243.112	-0.095	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586335	ZIJIOLQASXMQNG-GJMOJQLCSA-N	241.052	-0.685	50	10	BBGE	
CC[C@@H](OCCN1CCOC[C@@H]1C)C(=O)NN	2249105458	CZKLJROBGTVKNH-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCCOCCNC(=O)c1cc(B(O)O)co1	2249419641	JJYGHJNTSYWUCI-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
CC(C)n1cnnc1NC(=O)[C@H]1C[C@H]1B(O)O	2250325879	CPGSGPFDGWJVFI-NKWVEPMBSA-N	238.056	-0.340	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cccnc1O	2250865382	VJOBVSJUSZPVJY-SECBINFHSA-N	238.291	-0.013	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cnn(C)c1	2255449999	RXLFRPGRWFMMSH-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1coc(B(O)O)c1	2255453248	PHCQTAFISCEQQD-JUXNZWQXSA-N	247.059	-0.656	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1coc(B(O)O)c1	2255457918	KOHQICWYJJTVFX-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255472057	BUPYSFVERZWGRG-MRVPVSSYSA-N	247.063	-0.930	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1nc(C)ccc1B(O)O	2255483574	FBYCIXZTVULXRJ-VIFPVBQESA-N	248.091	-0.284	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1cc(B(O)O)cn1C	2255508391	MGNHJILEPCJWMP-JTQLQIEISA-N	248.091	-0.505	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cncc(B(O)O)c2)C[C@H]1C	2255531701	QZJVLFIIDXFYGR-FYBVGQRMSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@]12CCCC[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553505	ZQHJFVRPCCXEMM-HQJQHLMTSA-N	249.079	-0.848	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ncccc1B(O)O	2255711461	ZSXGMESBOUTXMP-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1coc(B(O)O)c1	2255728198	BLJVQGBFKFUIOW-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298375158	SQLOUUYMPDHJFH-JGVFFNPUSA-N	233.032	-0.640	50	10	BBGE	
CO[C@@H]1CC(OC[C@@H](C)C(=O)NN)C[C@H]1OC	2301612426	VTCOUUAXZWAGAA-SZEHBUNVSA-N	246.307	-0.179	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCOC[C@H]21)N1CC[C@H](B(O)O)C1	2303108357	HBQADSLYOUTIAJ-SGIHWFKDSA-N	239.080	-0.656	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	2303115422	UDCVWZARXGHCLO-IUCAKERBSA-N	241.096	-0.266	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2C[C@@H](CO)CO2)C1	2303152461	YEYQMLYBJPPTID-AXFHLTTASA-N	243.112	-0.677	50	10	BBGE	
C[C@H](CN=c1cc(B(O)O)c(F)c[nH]1)C(F)F	2303850749	WCKWTIQRQJXZCA-RXMQYKEDSA-N	248.013	-0.365	50	10	BBGE	
C[C@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)CO1	2303853133	RTXHNHCVHZIDEI-NKWVEPMBSA-N	241.027	-0.543	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H](F)C1	2307195039	PEUIVNSVZUNLLA-WRXNHJIOSA-N	238.027	-0.552	50	10	BBGE	
CC(=O)N(C)C1CN([C@@H](C)[C@H](C)C(=O)NN)C1	2307926335	YYELYBKCWCAAQQ-YUMQZZPRSA-N	242.323	-0.837	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2[C@@H](C)C[C@@H]2C)n1	2316993747	HAHFQVLBCUEGKT-YUMQZZPRSA-N	249.123	-0.054	50	10	BBGE	
CN[C@@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317152541	CRXMCNJGDBNMLE-LLVKDONJSA-N	245.091	-0.964	50	10	BBGE	
CO[C@@H](C)CN(C)c1ccc(B(O)O)cc1C#N	2317164122	VTBUMKZEQSQCRA-VIFPVBQESA-N	248.091	-0.291	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(B(O)O)cc1C#N	2317200372	KVZKFZOXCWBLOC-VIFPVBQESA-N	248.091	-0.433	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CCCNC2)cc1B(O)O	2317350517	UGVIKXZPHKAVSD-LLVKDONJSA-N	248.091	-0.657	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCCl)C(N)=O	36881855	AEYNJZUBJJBTDZ-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
COC(=O)CNS(=O)(=O)C[C@@H](C)CCl	86550090	KWJPCBWSXCUHIG-LURJTMIESA-N	243.712	-0.046	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	156623343	CDQGAWZXTUDQCS-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
Cn1cc(COc2ccccc2B(O)O)cn1	197957681	OHRMVIGAPLZATJ-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@H](N)C(C)(C)C)B(O)O	213615936	ASNSCWBTALGNHQ-IUCAKERBSA-N	244.144	-0.097	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)O[C@@H](CO)C1	230058308	AXOUIBJDESYCII-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
COc1cnc(Br)c(B(O)O)c1	238389306	PCVUWLGKSPYXMD-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
C/C=C(/CC)C(=O)NNC(=O)[C@H]1COCCO1	277315153	WWZZEEMFWXGCFI-PTDYZRSTSA-N	242.275	-0.095	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1CSC(=O)N1	286450845	SHCATZSVZQJBJX-BYPYZUCNSA-N	233.249	-0.459	50	10	BBGE	
O=C(O)CS(=O)(=O)NCC(Cl)Cl	308050137	RRYXDUNHDIAZMC-UHFFFAOYSA-N	236.076	-0.206	50	10	BBGE	
CC(C)(N)C(=O)NNC(=O)c1ccccn1	309286695	GQUNVHYVKGHPJF-UHFFFAOYSA-N	222.248	-0.420	50	10	BBGE	
Cc1ccc(Cn2ccn(C)c2=O)cc1B(O)O	313823687	ZPKQGUPXRQAWLR-UHFFFAOYSA-N	246.075	-0.777	50	10	BBGE	
NCCSCc1nc(C(=O)NN)cs1	328434461	WRMQGNBLBOXXNR-UHFFFAOYSA-N	232.334	-0.062	50	10	BBGE	
NC(=O)NN=CC(=O)/C=C/N1CCCC1	382591553	YCGASXMMIVJFKH-OJKREEDWSA-N	210.237	-0.181	50	10	BBGE	
COC1(C)CN([C@H](C)[C@H](C)C(=O)NN)C1	382595245	FIODFJLTPQUUTQ-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
COC[C@H](OCCCSC)C(=O)NN	382782413	GDPKFQTYTOTHLM-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1ccc(C(=O)NN)o1	385027252	ZJLFALNBACCPQR-JGVFFNPUSA-N	239.275	-0.162	50	10	BBGE	
O=C1NCCc2cc(B(O)O)ccc2N1	389345582	UIUQBIYKNVBQRM-UHFFFAOYSA-N	206.010	-0.956	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)cc(C(=O)O)c1	396129349	OORCDMLBHUAMNG-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CC(=O)Cc1cc(CC(=O)O)cc(B(O)O)c1	396137240	LCFGGCLGODCLEU-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
N#Cc1c(CO)c(B(O)O)cc2ccsc12	396216269	GRWHVDIOLIYOJQ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1ccc2scc(B(O)O)c2c1O	396336267	FRNDOBPPKMMMOU-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1sc2cc(B(O)O)ccc2c1O	396380480	JVCZQQHEPJVQIW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCOC1	398863875	ZVMWVLAGZFXJIY-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ccco1	405027624	MSZPAVCPARJHAI-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C[C@@H](O)C[C@H]2C1	405281340	ZPHYRCKWACDCKT-GUBZILKMSA-N	229.711	-0.132	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@H](C)C(=O)NN	688154266	AIKICNCWOUXKDD-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCN1CCSC[C@@H]1CCO	689846836	FTNFPQFNCHRWPT-QMMMGPOBSA-N	233.337	-0.834	50	10	BBGE	
CN(CCO)CCN(C)C[C@H](O)CCl	691279510	LWLNKKFKKDXFDG-SECBINFHSA-N	224.732	-0.558	50	10	BBGE	
CN(CCO)CCN(C)C(=O)CCl	700986238	GKWSSNYXVIEGOE-UHFFFAOYSA-N	208.689	-0.392	50	10	BBGE	
O=C(NCB(O)O)c1c[nH]c2ccccc12	701936800	CCDACEQFTUDFPI-UHFFFAOYSA-N	218.021	-0.090	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707346398	IWPKBRUBTISJEC-GXSJLCMTSA-N	243.307	-0.896	50	10	BBGE	
CC(C)(C)[C@H]1CN(CC(=O)NN)CCO1	708974238	BOCNMWNMOAADRV-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)CCCl	709352328	JBSQIDAITIGYIF-UHFFFAOYSA-N	218.644	-0.234	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@@H](O)C[C@H]1C2)C(=O)NN	710476160	KJTAKUXIJITNIW-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
CCc1nc(S[C@H](COC)C(=O)NN)n[nH]1	714108889	RFESYJRWNUIKPZ-RXMQYKEDSA-N	245.308	-0.536	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H]2CO3)c1	718286675	MZOSANSQAUIJSO-WPRPVWTQSA-N	237.259	-0.144	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCS[C@@H](CCO)C1	720090554	NTPANSBAOODCFB-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN2CCC1CC2	722806911	RYQQNVSVKOOFEF-NSHDSACASA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)c1nc(COCC(F)F)ns1	724346364	VKRMHUHWDXULRH-UHFFFAOYSA-N	238.219	-0.077	50	10	BBGE	
C[C@H]1C=CS[C]1C(=O)NCB(O)O	725598468	GTWVSDYKBHZOEH-YFKPBYRVSA-N	200.048	-0.457	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1COCCO1	730592125	MQKNCHLSIRSVRB-GJMOJQLCSA-N	228.248	-0.795	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@]1(C)CCCO1	768243491	FNDOXYGURCAADH-JTQLQIEISA-N	230.264	-0.526	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C[C@H]1CC(=O)N1	862499707	HTKOVLTWUCWFJL-MRVPVSSYSA-N	234.259	-0.466	50	10	BBGE	
Cc1cncn1CC(=O)NNc1cnnn1C	1118974015	XSLSQNPTCQPGCU-UHFFFAOYSA-N	235.251	-0.537	50	10	BBGE	
O=C(NNc1cccc(Cl)n1)C1(O)COC1	1160059927	OGUKNAXUELUAJY-UHFFFAOYSA-N	243.650	-0.061	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1ccn(C)n1	1262378582	GHUKVMNKSIAENT-RNFRBKRXSA-N	210.237	-0.102	50	10	BBGE	
Cc1cnn(C)c1C=NNC(=O)c1cn(C)nn1	1327689400	WTMKQVSRAUUMMJ-UHFFFAOYSA-N	247.262	-0.379	50	10	BBGE	
CCCONC(=O)NNC(=O)c1cn(C)nn1	1327756459	WYFBXAOVXHIJNS-UHFFFAOYSA-N	242.239	-0.899	50	10	BBGE	
COCc1nn(C)cc1C(=O)NNC(C)=O	1540576701	ZXYSZJCWUGKLEK-UHFFFAOYSA-N	226.236	-0.653	50	10	BBGE	
CC(C)(C#N)CC(=O)NNC(=O)C(C)(C)O	1556228155	DRMHTLWMPXXGNU-UHFFFAOYSA-N	227.264	-0.155	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@H]1CCCCO1	1556782439	HXBOSHGLXQWWPW-SSDOTTSWSA-N	211.221	-0.383	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@H]1COC(=O)C1	1618665529	ITZPBGAYYSBTDK-SSDOTTSWSA-N	228.248	-0.257	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1cccnn1	1651057799	OHIVCBUGRNLBRS-JTQLQIEISA-N	238.247	-0.601	50	10	BBGE	
NOCC(=O)NC[C@H]1C[C@H]1Br	1880435210	ZQKRAVGIODAIHZ-RFZPGFLSSA-N	223.070	-0.224	50	10	BBGE	
O=C(O)C1(O)CN(C[C@H]2C[C@@H]2Cl)C1	1883551159	ILSAGLGEGCUOSB-RITPCOANSA-N	205.641	-0.255	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@@H]2Cl)COC1	1883568974	ZGTCQDQNHKESOE-WDSKDSINSA-N	204.657	-0.542	50	10	BBGE	
CN(C)C(=O)CNC(=O)[C@H]1C[C@H]1Cl	1883645136	MBZKICOEGHAMLO-NTSWFWBYSA-N	204.657	-0.182	50	10	BBGE	
OC[C@@]12C[C@H]1CN(C[C@@H](O)CCl)C2	1883942737	KVUJUNARAUNDFZ-CIUDSAMLSA-N	205.685	-0.100	50	10	BBGE	
C[C@@H](CN(C)C(=O)C(=O)NN)C(F)F	1886194116	JURLUQGZAMLIMK-BYPYZUCNSA-N	209.196	-0.664	50	10	BBGE	
NCc1cc(O)nc(CNC(=O)F)n1	1887187021	VXFCHKDMFAPPKQ-UHFFFAOYSA-N	200.173	-0.180	50	10	BBGE	
NCC1(C(=O)NC[C@H]2C[C@H]2Cl)COC1	1893107299	LMDAYMIWKKNXOH-RNFRBKRXSA-N	218.684	-0.295	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)[C@H]1C[C@H]1Cl	1893475549	VMFLWPRIAYYEKM-DSYKOEDSSA-N	216.668	-0.039	50	10	BBGE	
CC(C)(F)CC(=O)NCC#CB(O)O	1895149248	OSVKCYFGKFHHRP-UHFFFAOYSA-N	201.006	-0.744	50	10	BBGE	
O=C(Cl)/C=C/C(=O)Nc1nc(O)n[nH]1	1897111081	FRMOBKLXIZBDMY-OWOJBTEDSA-N	216.584	-0.230	50	10	BBGE	
C=C(CN1CCC[C@@H]2[C@H]1CCN2C)B(O)O	1897282862	BUVYOOXIAYDKRO-GHMZBOCLSA-N	224.113	-0.277	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1CO	1897990088	WYKHQYQWYOVESA-AEJSXWLSSA-N	229.324	-0.437	50	10	BBGE	
N#CCCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1900607664	PCBADTNNVBQIEU-ZJUUUORDSA-N	222.292	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1[C@@H](C)C[C@H]1C	1901076973	ZBVCZVYECJQUCQ-QCLAVDOMSA-N	229.324	-0.032	50	10	BBGE	
CC[C@@](C)(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901341646	YCXGDNBWDDOFGT-SECBINFHSA-N	249.336	-0.431	50	10	BBGE	
CCC(=O)Nc1ccc(OC)c(B(O)O)c1	1901341679	YJWIZNVLYJCMFA-UHFFFAOYSA-N	223.037	-0.277	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(C)CCCN1	1901375796	QYLSXWRMYFBIKT-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
CC(C)=C(CN1C[C@H]2COC[C@@H]2C1)B(O)O	1901613745	QERUPYTYOARBHQ-UWVGGRQHSA-N	225.097	-0.087	50	10	BBGE	
CC(=CC(=O)N1CC[C@@H](B(O)O)C1)C(=O)O	1902521839	KOWKFCPAUIUUHE-SSDOTTSWSA-N	227.025	-0.907	50	10	BBGE	
O=C(N[C@@H]1CCSC1)N1CC[C@H](B(O)O)C1	1902548519	NNHOCXMFEZXWKC-JGVFFNPUSA-N	244.125	-0.250	50	10	BBGE	
CC[C@@](C)(CN(C)C[C@@H](C)CO)C(=O)NN	1902714728	XVSLYGZBNMQMQB-KOLCDFICSA-N	231.340	-0.047	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H](F)C1(O)CNC1	1909251596	QILKAGPGBDJXCL-KPGICGJXSA-N	236.674	-0.455	50	10	BBGE	
C[C@@H](CN1CCC[C@H](C)S1(=O)=O)C(=O)NN	1912284208	GRYUTSBGCUBNTA-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
CN(c1nc(CCCl)nc(=N)[nH]1)C1COC1	1915724444	VJNITDSAOITUCE-UHFFFAOYSA-N	243.698	-0.100	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCC[C@@H]2O)C1)C(=O)NN	1918421860	VATWWZSTGYGNIM-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H](C)[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923413716	AZKXIJXVHCSVHB-IUYQGCFVSA-N	244.169	-0.908	50	10	BBGE	
CN(C[C@H](O)CCl)C1CS(=O)(=O)C1	1932007249	MRSQNISETHQCEI-SSDOTTSWSA-N	227.713	-0.685	50	10	BBGE	
C[C@H](CN1CC[C@@]1(C)CO)C(=O)NN	1932967359	MFZINYLXZIGDTR-APPZFPTMSA-N	201.270	-0.931	50	10	BBGE	
CO[C@@H]1CC[C@H]2CN(CCC(=O)NN)C[C@@H]21	1935841107	ZUVCRUSQBATOCA-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](COCC(F)(F)C(=O)NN)OC	1935935106	INRCMRMKEMHASY-ZCFIWIBFSA-N	242.222	-0.710	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CCOCC(=O)NN	1936527454	VFACUTIOYRSSKW-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(CN1CC[C@@]2(CCO2)C1)C(=O)NN	1938676660	RSTIPSGNRKKFEF-LLVKDONJSA-N	227.308	-0.133	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@H]1COC[C@@H]1Cl	1939166662	LAKGQHMJKLKNHM-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
CC1(CO)CN(CCCCCC(=O)NN)C1	1940017663	QPZYSQZVWQEINU-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941073614	MJWJAXHLQTWUAN-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCN(C)C1	1941772808	NXEZSLSAFMBSMN-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CON1CCC(N(C)C[C@@H](C)C(=O)NN)CC1	1942615037	CKEXZZDXHYREIX-SECBINFHSA-N	244.339	-0.430	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(CC(=O)NN)C1	1955030209	OWSLDFPHNJQYCM-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]1CC[C@H]([C@@H](N)C(=O)NN(C)C)O1	1956967199	CRPGBNLTWHZOSD-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957345103	ARIDPCOQUBEXTH-NKWVEPMBSA-N	236.362	-0.082	50	10	BBGE	
CC(C)OC1CN(C[C@H](C)C(=O)NN)C1	1958194427	RGUKAQLAZVGFGF-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ncc(B(O)O)cn1	1961778942	RJOKTAOGDYJMLL-XPUUQOCRSA-N	207.042	-0.999	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12CCN(CC1)C2	1967588444	SYEZMQFPSLJCNX-VIFPVBQESA-N	238.096	-0.843	50	10	BBGE	
Cn1nnc(CNC[C@@H]2C[C@H](CCl)CO2)n1	1975557810	QOXITDCIQOCDLW-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](N(C)C)CC1(C)C	1977319947	ROUYIQYBTSVNCD-BDAKNGLRSA-N	228.340	-0.221	50	10	BBGE	
CC[C@H](O)CN(C[C@H](C)C(=O)NN)C1CC1	1978303250	AYRLGUPGNWOAPQ-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
O=C1NC[C@H]2CN(CCOCCCl)CCN12	1978819560	DRRBVWANSPJREJ-VIFPVBQESA-N	247.726	-0.049	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([S@@](C)=O)C1	1981209671	YFFSTOINJVPIQI-JDNHERCYSA-N	247.364	-0.546	50	10	BBGE	
C=CC[C@H](C)Oc1ncnc(C)c1B(O)O	1981421345	YMCFEBIZRLPTOS-ZETCQYMHSA-N	222.053	-0.192	50	10	BBGE	
CC(C)OCCOc1ccncc1B(O)O	1981429677	HAYHTTAQJPYSGJ-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncccc2B(O)O)CO1	1981429701	HDWWJGJONYZQBS-YUMQZZPRSA-N	223.037	-0.682	50	10	BBGE	
Cc1ccn(-c2ncc(B(O)O)cc2C)n1	1981455042	UCWWTZJUOKHGDV-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CCNC(=O)[C@@H]1CNCCN1C[C@H](Cl)C#N	1982214134	QHDZEQFLPSJRNG-BDAKNGLRSA-N	244.726	-0.473	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCN(C)C	1982814061	GEMSCQIBTQMILI-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)O2	1985270210	NTKUPIZFHPQEIR-RNLVFQAGSA-N	227.264	-0.950	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CSCC(N)=O)O1	1990165387	XYKNGZGPBDWTFO-NKWVEPMBSA-N	247.320	-0.868	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](C(F)(F)CO)C1	1991991096	BLLDVEDABPCQDF-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
C=C(CN1C[C@]23CC[C@@]2(COC3)C1)B(O)O	1992166890	ALIBBDJBUNOLOM-QWRGUYRKSA-N	223.081	-0.333	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]2COC[C@H](C2)C1	1995151758	FTRFLSAVAQGJSO-JIGDXULJSA-N	227.264	-0.251	50	10	BBGE	
CC1(C)C[C@H]1CC(=O)N[C@H](CB(O)O)C(=O)O	1998135937	VJOMJGDSWQMZIP-RNFRBKRXSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](CN1CCC([C@@H](F)CO)CC1)C(=O)NN	1999599578	UKHNNJVFDPUOJD-SCZZXKLOSA-N	247.314	-0.345	50	10	BBGE	
OB(O)c1cncnc1N1CC2(CCCC2)C1	2004919338	XQSQNOHXDIJSOR-UHFFFAOYSA-N	233.080	-0.463	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)[C@H](C)[C@H]1C	2004921432	VZLZYWKBGNVSMU-HRDYMLBCSA-N	235.096	-0.363	50	10	BBGE	
Cc1cc(N2CC[C@H]3C[C@H]3C2)ncc1B(O)O	2005014266	IZGXTVIAYAYKSG-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H](COc1c(F)cccc1B(O)O)N(C)C	2008376808	FVTSRZOVHDWUOT-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
C[C@@H]1CC(CN(C)C(=O)C(=O)NN)C[C@@H](C)O1	2010673532	FQSVMAQWOXEOIV-HTQZYQBOSA-N	243.307	-0.362	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1C[C@H](n2cnnc2)C1	2012113047	MHYBJWHDMRUWSN-IZLXSQMJSA-N	247.205	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1COCCOC1	2014500601	ORTZSRVHMFPZMX-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(COC)CC1	2018956263	UAMITIHJXQPOCU-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
COC[C@@H](OCC(C)(C)CN(C)C)C(=O)NN	2021404579	RIGPIEGCVHAJAL-SECBINFHSA-N	247.339	-0.404	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(OCCCO)C1	2026044991	LHVAVGBCDYJBBU-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cc1ncc(OCc2ccnn2C)cc1B(O)O	2033257499	FSKXUQLGDVFPRC-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3C[C@@H]3C2=O)n1	2050246294	BQVPIBCAFBAVTD-BQBZGAKWSA-N	249.274	-0.998	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@@H]1N(C)C	2052498788	JSWITHTVYSFIPI-CABZTGNLSA-N	249.123	-0.852	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)cc1C#N	2060186101	GPWSHEQLQPWKNP-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCc1ccc([N+](=O)[O-])c(C#N)c1B(O)O	2060283338	GBWQZEITHKMOFO-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1cc([N+](=O)[O-])cc(C#N)c1B(O)O	2060306865	RMDPENPUXXXMPL-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC2CC1C2	2069295903	PPSCUUCYYUFKJF-NWGYLPEXSA-N	247.107	-0.219	50	10	BBGE	
O=C(NCC=CB(O)O)c1n[nH]c2ccccc12	2076076374	NAAVFBPVRNDFRB-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccccc1B(O)O	2079011044	XXBYQNGFEYVZEK-IUCAKERBSA-N	245.087	-0.105	50	10	BBGE	
C[C@@H](N)CSCC1(C(=O)NN)CCOCC1	2212447841	GOUOSWUFQLUASK-MRVPVSSYSA-N	247.364	-0.147	50	10	BBGE	
CC(C)NCCOc1ncccc1B(O)O	2212599369	HWZPQRXADVWLBC-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C[C@H](CCCO)Nc1ncccc1B(O)O	2212615586	RECPKCGEOYJMJE-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
Cc1ccn(Cc2ccc(B(O)O)s2)c(=O)c1	2214514744	YIMSBBYPXUNBAK-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC2CC1(CO)C2	2215773981	VJWJMZQIRZQCIV-MBPTXSFVSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](O)C(F)(F)C1	2215775808	JDBMCLXQUYHNJM-BWZBUEFSSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H](O)[C@H]2C1	2215778056	XABFNPXDUVVNGN-NZHYYXIDSA-N	239.319	-0.685	50	10	BBGE	
OC[C@@H](Nc1ccc(B(O)O)cn1)C(F)(F)F	2217177013	DLVYKDVEUCWZLV-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
C=C(C)COCCN=c1ccc(B(O)O)c[nH]1	2217177704	MJLQVNPMANJXQG-UHFFFAOYSA-N	236.080	-0.812	50	10	BBGE	
CC(C)[C@H](N)CCNc1cc(B(O)O)ccn1	2217178310	UINOMIRRFHNFOP-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CCN1	2217179924	OWGYEVOXTNPFMB-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
Cc1cnc(N(CCO)C2CC2)cc1B(O)O	2217182569	FIYZPJPIOYIYCZ-UHFFFAOYSA-N	236.080	-0.969	50	10	BBGE	
CO[C@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217205359	XSTABIAIACHFAC-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
CC(=O)[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2220071699	XNHZJTOKSYZNKY-ZDUSSCGKSA-N	247.103	-0.080	50	10	BBGE	
Cc1ccc(NC(=O)c2ccno2)c(B(O)O)c1	2222244423	SFIAJJJTPZJKJX-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@@H]2CNC[C@H]21	2223624428	FABSSJMVKIDDFE-FXPVBKGRSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23CC[C@@H]2CNC3)c1	2223634665	NKSDUJJWVWBSEI-BXKDBHETSA-N	247.107	-0.827	50	10	BBGE	
OB(O)c1cccnc1OC1([C@@H]2CCCN2)CC1	2223650782	QWABLZLPKBUNNF-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
C#CCN(CC1CC1)c1cc(B(O)O)c(C)cn1	2223650945	SUIGQNDCXGCLOD-UHFFFAOYSA-N	244.103	-0.081	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2243356550	JHVRHXVKOQAVIK-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
CCN(C[C@H](C)N)C(=O)C1(B(O)O)CCC1	2243363262	DATFGLLYQBKDAQ-QMMMGPOBSA-N	228.101	-0.421	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CCO2)C1	2243380910	AEDVQZWEYODAHE-OCAPTIKFSA-N	225.053	-0.759	50	10	BBGE	
CCN(C)C(=O)c1cccc(C)c1B(O)O	2243409645	MEQIUZOLYUNBHM-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
CCCNC(=O)c1ccc(F)cc1B(O)O	2243410840	IUESURUFXRNHSG-UHFFFAOYSA-N	225.028	-0.355	50	10	BBGE	
CN(CCOC1CC1)C(=O)C1(B(O)O)CC1	2243411520	VFTFIQXNOJIHKK-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
C=CC(=O)Nc1ccc(B(O)O)c(F)c1F	2243665216	QGMZDQKSMZVBMH-UHFFFAOYSA-N	226.975	-0.231	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C=CCOC2)c1	2244089328	ZNCJQDZDZBNMNM-VIFPVBQESA-N	221.021	-0.905	50	10	BBGE	
CC(F)(F)CCC(=O)NCCC#CB(O)O	2244548857	VMEVZDAVLMNSCB-UHFFFAOYSA-N	233.023	-0.057	50	10	BBGE	
COC[C@@H](S[C@@H]1CNC(C)(C)C1)C(=O)NN	2245396226	ROAKSIXCMJLXQY-JGVFFNPUSA-N	247.364	-0.135	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@@H]3C2)ncc1Cl	2245913542	TVBAPIFLKSCSHH-RNFRBKRXSA-N	238.483	-0.129	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCCN1	2247732437	FOSLAFWTWZKQLU-UHFFFAOYSA-N	238.052	-0.992	50	10	BBGE	
CCN(CCF)C(=O)c1ccncc1B(O)O	2247735372	MEWHYFVVBKGRJP-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1C(F)(F)F	2247743502	DXYIGHLYBWTJJI-ZETCQYMHSA-N	248.997	-0.055	50	10	BBGE	
CCC(C)(C)NC(=O)c1ncc(B(O)O)cn1	2247745189	DVMSFKZFOOGLAS-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247746791	DNCAUEPOVNXTOH-SFYZADRCSA-N	237.064	-0.122	50	10	BBGE	
CN1CC[C@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247753894	KGPLOHBUBVJSCO-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
C=CC[C@](C)(CO)CNC(=O)C1(B(O)O)CC1	2247756882	OTHQELMRXIPXDZ-JTQLQIEISA-N	241.096	-0.316	50	10	BBGE	
Cc1cnc(C(=O)NC(C)(C)C)c(B(O)O)c1	2247791817	OYOHFIWJOYGDIU-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
O=C(NC1([C@@H]2CCCO2)CC1)[C@H]1C[C@@H]1B(O)O	2247793688	ZJQVHXMQBISVSO-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)C1CC(B(O)O)C1	2247799087	ZOTWLOGQNBTXLA-GCPOWRFASA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCNC1	2247808447	VCRVHCZTEPQDNZ-JXUBOQSCSA-N	240.112	-0.646	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC12CC2	2247810222	VRNVITFBVMMHTE-XHNCKOQMSA-N	238.096	-0.940	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@]2(CCN2)C1	2247860033	QVDIRQRUUFPZPR-AMUVOQDHSA-N	238.096	-0.796	50	10	BBGE	
CCCONC(=O)c1ccc(B(O)O)cc1C	2247860078	ROCDXXBAZKEEMZ-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2247880333	ZGIXKJYGCDQMDF-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
COC1CC(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887886	SQHMUNPHFIDHIB-BMNUFHGDSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)C1CC(B(O)O)C1	2247891065	FGMZWTQYMJJSJM-CYBICODVSA-N	241.096	-0.341	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2248573951	LWMUSBYJGPLIJO-PRJMDXOYSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@H](CCF)NC(=O)C1(B(O)O)CCC1	2248588330	BIAOMMXPXFCOCH-LURJTMIESA-N	247.031	-0.688	50	10	BBGE	
C#CC(C)(C)N1CCN(CCC(=O)NN)C1=O	2250087683	MIKWWNNOVPOYOW-UHFFFAOYSA-N	238.291	-0.484	50	10	BBGE	
N#Cc1cccc2c1CCN2C(=O)C#CB(O)O	2255461010	AZZMJXILGOUKSF-UHFFFAOYSA-N	240.027	-0.537	50	10	BBGE	
Nc1ccc(NC(=O)c2cc(B(O)O)c[nH]2)cc1	2255462820	AMRJTPDAKMDWBZ-UHFFFAOYSA-N	245.047	-0.471	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(B(O)O)o1	2255463331	HPMUZDGEXIWEAU-BMQIKNLXSA-N	247.059	-0.656	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc2c1OCC2	2255464287	ULSHCMMIPQLAMA-UHFFFAOYSA-N	245.043	-0.747	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1occc1B(O)O	2255487610	RVVRZXIOPGIYTE-PSASIEDQSA-N	249.075	-0.122	50	10	BBGE	
C=C1CC(NC(=O)c2ccc(B(O)O)cc2F)C1	2255501808	FFWCDDDYRMSSHE-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255670904	JYJJUKGUBSTGKR-WCBMZHEXSA-N	248.091	-0.530	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)o2)n(C)n1	2255672256	DBXRYYLHXNXGTC-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1cocc1B(O)O	2258127229	YZAXTEIPVFOECE-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165445	BYBNXZGMFCWZFJ-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(O)CCCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165483	FFQQMFVPOBRDFR-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368450	FHZRNSVBCCPSLF-BGZDPUMWSA-N	240.112	-0.791	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1CN(C)C1	2298955960	XXRAEAHCIWPFLJ-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1(C)C	2299721889	QLYYPRKRFRCDPL-XHNCKOQMSA-N	240.112	-0.694	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302191808	ZAVXMIMBEYNSHY-LOLPMWEVSA-N	239.080	-0.515	50	10	BBGE	
CC(C)[C@@H](CO)N(C)c1ncccc1B(O)O	2302492375	PDTDRVPEQRWYRH-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
CC[C@](C)(CN1CC2CC1(CO)C2)C(=O)NN	2303425719	FVXIVASFISTMEM-CKBZRRDASA-N	241.335	-0.151	50	10	BBGE	
CC[C@](C)(CN1CC[C@]2(O)C[C@H]2C1)C(=O)NN	2303427341	XLWUTTIGULOKOI-WCQGTBRESA-N	241.335	-0.151	50	10	BBGE	
N#Cc1cccn1-c1ccc(C=O)c(B(O)O)c1	2317311760	VCMKCLVMUIDTJE-UHFFFAOYSA-N	240.027	-0.159	50	10	BBGE	
CCN1CC(CNc2cc(B(O)O)c(C)cn2)C1	2319845754	OZMZGAMFAOUCSZ-UHFFFAOYSA-N	249.123	-0.567	50	10	BBGE	
CCC(CC)C(=O)NNC(=O)c1nonc1N	20899761	XDRKQMHLXXBNAN-UHFFFAOYSA-N	241.251	-0.151	50	10	BBGE	
NC(=O)CCNC(=O)NC(=O)CCCl	36748868	ZUJRHLQQJAZTJV-UHFFFAOYSA-N	221.644	-0.684	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)CC(=O)N(C)C	37271924	YRXZMJAXBBSODS-ZCFIWIBFSA-N	249.698	-0.130	50	10	BBGE	
NNC(=O)CS(=O)(=O)Cc1ccc(N)cc1	58236255	DZPQEHYYPSDZDR-UHFFFAOYSA-N	243.288	-0.827	50	10	BBGE	
CCCN(CCO)C[C@@H](C)C(=O)NN	58852917	SVHZZFHQYWNDLO-MRVPVSSYSA-N	203.286	-0.683	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@H]1CCNC1	71310804	IIEDSKMHENBQLG-JTQLQIEISA-N	249.318	-0.182	50	10	BBGE	
C[C@@H](O)CN(C)Cc1occc1C(=O)NN	82468160	HQTDLXLNYXAHHA-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)C1CC1	82470020	ILDAYMMGMJYSNM-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC(=O)NNC(=O)c1cccc(CN)c1	82697367	VFCZEAIVKSDBFZ-UHFFFAOYSA-N	207.233	-0.074	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCNC(=O)C1(C)C	110664484	OMVJNKYCMFAHBA-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
N[C@H](CCCCN/C=C/C=O)C(=O)O	111436732	GMWIWURZXAXNSK-GWSCVKMXSA-N	200.238	-0.129	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)[C@H](C)CCl	130229196	BCTMGEYVJGGNPJ-SFYZADRCSA-N	248.710	-0.165	50	10	BBGE	
CC[C@@H](N)c1nnc(-c2cccc(B(O)O)c2)o1	211478196	DYJIMCBGCUTAOD-SECBINFHSA-N	247.063	-0.174	50	10	BBGE	
C[Si](O)(O)CCCC[C@@H](N)C(=O)O	215364675	JSCJLNSNHKLRJV-ZCFIWIBFSA-N	207.302	-0.375	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N2CCCCC2)C1	223091242	SXWWWODSKRKDRF-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](C)O[C@@H](CO)C1	230057863	VSXWWQGAXDUEDD-BBBLOLIVSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](C[S@@](C)=O)NS(=O)(=O)CCCl	232301405	VZENUENYWWWTLR-SREIQFSDSA-N	247.769	-0.088	50	10	BBGE	
COc1cnc(C(F)(F)F)c(B(O)O)c1	238392136	PJQSBLZLSYWNMA-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
O=C=NCc1cccc(N2CCNC(=O)C2=O)c1	258302119	JFCVLEZLQJRCKY-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)O[C@H](C)C1	299971870	VSXWWQGAXDUEDD-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
O[C@@H]1[C@H](Br)[C@@H](F)OC[C@H]1O	306186139	JOCHESIJDDGQGG-STGXQOJASA-N	215.018	-0.203	50	10	BBGE	
CNC(=S)NNC(=O)NCCC#N	306524815	ODSFINROINUIFH-UHFFFAOYSA-N	201.255	-0.792	50	10	BBGE	
C[C@H]1COCCCN1CCC(=O)NN	306692722	RZVQKWAONQWXKR-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
OB(O)c1cc2ccc(O)c(O)c2s1	307064021	QTSJHLFEWSUBIP-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Cn1cc(Cl)c(CNC(=O)NN)n1	307533860	NUFHPQMGBDWVNL-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
COC[C@H]1CCCCN1[C@H](C)C(=O)NN	307775590	WSWSSKDAZUYLMU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
Cc1ccc(Cn2ccc(=O)cc2)cc1B(O)O	314250344	UMJZHEJBPOUDCM-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N1CC(=O)OC(=O)C1	385017466	XFKABHUJCLSKEI-GJMOJQLCSA-N	213.233	-0.062	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H](N)C2)n1	386968496	LGSVQRLSRWRMML-ZETCQYMHSA-N	239.279	-0.799	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CCCC1	396443842	BUBGQHXEKMYBMT-STQMWFEESA-N	249.119	-0.083	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398640457	AMQWLVQBGZTHBX-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC2(CN(C)C2)C1	398723280	HANXIXLFCAYMRE-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](N[S@@](C)=O)c1ccc(B(O)O)cc1	404940888	RWVRJGAUHSUSHM-KWKYVRJSSA-N	227.094	-0.690	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1ccc(B(O)O)s1	404964379	BGELQSLDQJUTSX-LURJTMIESA-N	243.093	-0.921	50	10	BBGE	
COCCCC(=O)Nc1ncc(B(O)O)s1	404975404	AYRWVMQBSKHLJK-UHFFFAOYSA-N	244.081	-0.812	50	10	BBGE	
C=CCNC(=O)N(C)Cc1cccc(B(O)O)c1	405163482	IYUXJDITFVNZHW-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#C[C@@]1(O)CCN(S(=O)(=O)CCl)C1	575573885	ZOVCNLFQSMDHAR-SSDOTTSWSA-N	223.681	-0.418	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C(=O)OC[C@H]1O	675079970	KGDMOYQOMNYRGF-LMVFSUKVSA-N	207.613	-0.984	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H](F)C1	689816461	IRNWXPBVNGEJCP-JTQLQIEISA-N	223.056	-0.090	50	10	BBGE	
CNNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	704676758	VHMVAUJSMDPAMV-UHFFFAOYSA-N	227.224	-0.341	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](CO)[C@H](CO)C1	705328800	ICDJAJUBANWBLP-CIUDSAMLSA-N	235.711	-0.080	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](C)[C@H]1CO	708470870	XNGSFVWGJYKIEJ-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](ON)C2CC2)CC1	708688273	JPKSUYGXNKHCRR-SECBINFHSA-N	239.275	-0.468	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2CCCN(C2)C1	718918185	NEZQGTQQUWHSRE-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721714948	IECMXQMHMALXAG-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@]1(C)CO	723022330	OGBCNMGGWLTQLY-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2OCC[C@H]2C1	724821655	IYUOTLKOWMLLST-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	756765722	JXBQCXPUOQSLBP-XLPZGREQSA-N	212.249	-0.031	50	10	BBGE	
CC[C@@H](C)CC(=O)NNC(=O)[C@@H]1COCCO1	790698694	ZINXEVYTVZQMBE-BDAKNGLRSA-N	244.291	-0.015	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H](OC)[C@@H]1CCOC1	854163393	SZVLXKAIXJKMDX-SFYZADRCSA-N	246.263	-0.185	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CCCCCO1	863879852	FAHDWWVAUZCKPJ-UHFFFAOYSA-N	249.075	-0.076	50	10	BBGE	
C=C(C)C[C@@H](CO)NCc1ccc(B(O)O)cc1	895712616	AWDQBUKJVFJDFC-ZDUSSCGKSA-N	249.119	-0.217	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NC(C)C	900416220	CTHOKASRZXWZGX-SMMXGFFBSA-N	215.253	-0.338	50	10	BBGE	
C[C@@H](NNC(=O)[C@@H](O)C(C)(C)O)C(F)(F)F	912898551	LTPRKXOBPIZPHC-RFZPGFLSSA-N	244.213	-0.310	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc(C(N)=O)o1	1143341807	YMEDYKILAWAURZ-ZCFIWIBFSA-N	241.247	-0.664	50	10	BBGE	
CNC(=S)N(C)NC(=O)CC1COC1	1332621740	HNYCNUCRJZPREW-UHFFFAOYSA-N	217.294	-0.510	50	10	BBGE	
O=C(COC(F)F)NNC(=O)c1ncccn1	1460989865	PHMAVZKNRVLADX-UHFFFAOYSA-N	246.173	-0.523	50	10	BBGE	
CNC(=O)NNC(=O)c1c(O)cccc1OC	1464434205	SROVUZAHGJHCIF-UHFFFAOYSA-N	239.231	-0.025	50	10	BBGE	
CC(=O)NNC(=O)/C=C/c1cncc(O)c1	1540576260	FZUTZSJWJJIBMQ-NSCUHMNNSA-N	221.216	-0.032	50	10	BBGE	
Cc1cc(NNC(=O)[C@@H]2CCCO2)nc(N)n1	1587911457	GIJDZIHLCHLJJP-ZETCQYMHSA-N	237.263	-0.011	50	10	BBGE	
CNNC(=O)[C@H](CO)NC(=O)OC(C)(C)C	1879962232	WSMZMWODHQZYMI-LURJTMIESA-N	233.268	-0.877	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCC(CO)CO	1882210681	UTCGAFIUYRPZPM-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1nc[nH]n1	1885227049	NTFCRZXTAOGVFV-RXMQYKEDSA-N	234.668	-0.676	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@H]1[C@@H](O)CO	1885377691	DZNQKBNKCFDESG-YIZRAAEISA-N	218.684	-0.065	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)C[C@@H](O)C1(C)C	1890288149	WXKBBRQETFCTSA-HZGVNTEJSA-N	201.270	-0.933	50	10	BBGE	
COCCNCCNC(=O)[C@H]1C[C@@H]1Cl	1893454501	XHRHJABOPHRTHO-YUMQZZPRSA-N	220.700	-0.034	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@@H]1C[C@H]1Cl	1893475951	ZLXRNMXKQRGVDM-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@@H](F)C1	1900107772	RJSJPUPUTYBFAZ-RNJXMRFFSA-N	231.032	-0.954	50	10	BBGE	
CCC(C)=CCn1cc(B(O)O)cnc1=O	1900862771	UVCIXOIRVDJEFB-UHFFFAOYSA-N	222.053	-0.721	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@@H]1N)S(=O)(=O)C1CCC1	1901359396	KRMDFWMQSMJRKC-YUMQZZPRSA-N	247.320	-0.821	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(B(O)O)cc1	1901426210	RSRPSJCQRAMYAI-SECBINFHSA-N	223.037	-0.924	50	10	BBGE	
C[C@H](CO[C@@H]1CN2CCC1CC2)C(=O)NN	1901435831	KOWIMPWYRWLRRH-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](O)[C@H]1C	1901767088	ZLHIWRPZODMHSQ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@H](C)[C@@H](C)C(=O)NN	1902092854	VACFTDIJFIXYKP-OPRDCNLKSA-N	231.340	-0.050	50	10	BBGE	
COCCCC(=O)N1CC[C@@](C)(B(O)O)C1	1902514742	XLMYYTBEOBHONI-SNVBAGLBSA-N	229.085	-0.122	50	10	BBGE	
CO[C@@H]1COC[C@H]1N1CC[C@](C)(B(O)O)C1	1902549430	BNOKBPICIFYETN-BBBLOLIVSA-N	229.085	-0.661	50	10	BBGE	
C[C@H](CCO)Sc1cc(B(O)O)c(F)cn1	1903006443	TZNJROJDTZQVCA-ZCFIWIBFSA-N	245.084	-0.237	50	10	BBGE	
CS[C@H]1CC[C@H]1Oc1ncncc1B(O)O	1905020877	VPNGEHRPFVSDNN-SFYZADRCSA-N	240.093	-0.571	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1S(=O)(=O)CCl	1914436873	IVFDYBVGJHULDY-RITPCOANSA-N	213.686	-0.032	50	10	BBGE	
CN1CCC(C)(C(=O)NNC(N)=S)CC1	1928064757	JNUHYBIOQFPYGZ-UHFFFAOYSA-N	230.337	-0.417	50	10	BBGE	
CO[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N=C=O	1932343592	OXZBBPJTLFQACX-HTQZYQBOSA-N	234.277	-0.629	50	10	BBGE	
OCC[C@@]1(CO)CCN(C[C@@H](O)CCl)C1	1932830736	SZZMCZUICSIXHV-UWVGGRQHSA-N	237.727	-0.347	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@@H]1C(=O)O	1935399504	XDXBNWAMKNULFZ-BQBZGAKWSA-N	215.253	-0.127	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2C[C@H](O)CC[C@@H]21	1935707300	SONPJCFRKSZHPT-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	1936086596	YOHOSBVHADKHTK-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1939641260	MNMKSISFCOCGLF-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCN1CCCCCNC(=O)CC1	1941343772	FUDVQUKSEYHWME-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCN(C)C1	1941772807	NXEZSLSAFMBSMN-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CCC[C@@H]1CC(=O)N(CCOCC(=O)NN)C1	1941780443	POFSDOYLSVVNHJ-SECBINFHSA-N	243.307	-0.359	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](O)(COC)C1	1946461519	XUXUULLNIZGVIE-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(N2CCC2)C1	1946875997	IUBGOSBXTMRTCP-NSHDSACASA-N	240.351	-0.219	50	10	BBGE	
CNC(=O)OCCNS(=O)(=O)CCl	1954527848	CUACYZWAKWIVHI-UHFFFAOYSA-N	230.673	-0.542	50	10	BBGE	
COC1CN(S(=O)(=O)NC[C@@H](C)Cl)C1	1955782195	YNGUTEDRAOLNOF-ZCFIWIBFSA-N	242.728	-0.221	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12	1958832038	RDOWOLKZDQMYQW-MYINAIGISA-N	213.237	-0.375	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@@H]2CCOC2)C1	1961483644	VUAAIEBCRQYYGI-HTQZYQBOSA-N	215.253	-0.693	50	10	BBGE	
COCCCOc1ccncc1B(O)O	1961711764	GXWMZEAGXSJSCC-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
O=C(c1cocn1)N1CCC(B(O)O)CC1	1964500205	HTBZCSDVYJEHRW-UHFFFAOYSA-N	224.025	-0.246	50	10	BBGE	
CN(C(=O)CCl)[C@H]1CCC(=O)NC1	1970965518	GRIGCKUAUVMGOW-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H](CO)N(C)CCC(F)(F)C(=O)NN	1975105080	WVAQYVOLMFKXIK-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
COC[C@]12CN([C@@H](C)C(=O)NN)C[C@@]1(C)C2	1978982992	XQJGRPVSZRIGGI-GDPRMGEGSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](c1ccccn1)N(C)C(=O)C(=O)NN	1980752241	WVBSZYWCDZQRQI-ZETCQYMHSA-N	222.248	-0.409	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CC2)CO1	1981424674	WYOQHHJBGRUEHK-UHFFFAOYSA-N	220.037	-0.707	50	10	BBGE	
CC[C@@H](COC)Oc1ccncc1B(O)O	1981429995	KHDXLSNUTYVAQQ-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)C1(C)CC1	1981468922	JZMJGCZJEYARSE-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
C[C@H](F)CN1CCN(CCC(=O)NN)CC1	1988564892	PCRZHACCFWIKIA-VIFPVBQESA-N	232.303	-0.658	50	10	BBGE	
CNCCSC[C@H]1CCC[C@H](C(=O)NN)O1	1990164711	ROGXFYKSTQJRTO-RKDXNWHRSA-N	247.364	-0.133	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@@H](O)[C@@H](CO)C1	1991706505	QFINCFKDARVGCU-XLNBVVSQSA-N	247.678	-0.490	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)[C@@H](COC)C(=O)NN	1992946395	DNBYNRIKCVRBJZ-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC1(F)F	1996648236	XDWRDAIBMMQJJL-LURJTMIESA-N	241.990	-0.645	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3OCC[C@H]3C2=O)CC1	2004652082	PPBGGWHLEYWPBZ-HTQZYQBOSA-N	239.275	-0.996	50	10	BBGE	
COc1cc(CC(=O)NNCCO)ccc1O	2004767798	SBMJNJWXYJEKMP-UHFFFAOYSA-N	240.259	-0.444	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2004911349	FVGHCIQYJYEBDT-MBTKJCJQSA-N	233.080	-0.609	50	10	BBGE	
CC[C@@H](COC)Oc1ncc(B(O)O)cc1C	2004935505	OKLZIOCMGHTURZ-JTQLQIEISA-N	239.080	-0.126	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCCCO1	2004950059	ARXXDYGOAUVRAK-VIFPVBQESA-N	237.064	-0.291	50	10	BBGE	
CC[C@H](C)CN(C)c1ncnc(C)c1B(O)O	2004973188	QLIMWUNHDQCYBI-QMMMGPOBSA-N	237.112	-0.053	50	10	BBGE	
COCC(C)(C)Cn1cccc(B(O)O)c1=O	2008841395	ZXQDCIJYHUMYRV-UHFFFAOYSA-N	239.080	-0.799	50	10	BBGE	
NNC(=O)CCCO[C@H]1C[C@H](n2cnnc2)C1	2012113634	RFOJZGSSNNHCBF-KYZUINATSA-N	239.279	-0.232	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C1CC1	2014002680	VTJAZTYGWPRUDT-HBNTYKKESA-N	241.335	-0.154	50	10	BBGE	
Cc1ncnc(C)c1CN(C)[C@@H](C)C(=O)NN	2014121930	ZCLFJXQFXHWHPN-VIFPVBQESA-N	237.307	-0.096	50	10	BBGE	
CC1(C)C[C@@H](Cn2cccc(B(O)O)c2=O)O1	2015575048	YADFDYJFELKLHC-QMMMGPOBSA-N	237.064	-0.904	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC2(CCOCC2)C1	2015645114	LVZHGBFTKCGCOP-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc2c(s1)CCC2	2021162375	GAJNGHGFGLFOIO-UHFFFAOYSA-N	249.100	-0.018	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@]3(CCOC3)C2)nc1	2052465626	BRSGTLCAGGVDNV-GFCCVEGCSA-N	248.091	-0.622	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(C#N)c1B(O)O	2060285170	WVEBEGDCCLNMSI-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
Cc1nnc2ccc(N3CC(=O)OC(=O)C3)cn12	2067565400	PPFAQMGLYJTDRK-UHFFFAOYSA-N	246.226	-0.072	50	10	BBGE	
Cc1ncc(OC[C@]23C[C@H](CO2)C3)cc1B(O)O	2073847342	AFWWQYUEIWDFKB-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
Cc1ccnn(Cc2cccc(B(O)O)c2)c1=O	2084717048	HWIDOITYGSWUNQ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC#CCCC(=O)NCc1ccc(B(O)O)cc1	2086544207	QLHAUTJGTAFREG-UHFFFAOYSA-N	245.087	-0.214	50	10	BBGE	
CON(C)CCN=c1[nH]c(CCl)nc(=N)[nH]1	2210501452	VKDRJNBYILNZJD-UHFFFAOYSA-N	246.702	-0.650	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1cc(B(O)O)cs1	2211072707	PLNOLKZOFORJPA-XCBNKYQSSA-N	242.105	-0.021	50	10	BBGE	
N#Cc1ncn(CC2(C(=O)NN)CCC2)n1	2212250911	XWOHCCNEBSJHCU-UHFFFAOYSA-N	220.236	-0.690	50	10	BBGE	
OB(O)c1ccnc(NCc2ncc[nH]2)c1	2212611105	VBTJFPURARBXBY-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
OB(O)c1ccnc(NCc2cnco2)c1	2212611324	ZEXXQQZEPWRMSA-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1(F)CC1	2212614623	FRZNXNHVNFJPPJ-LURJTMIESA-N	225.032	-0.541	50	10	BBGE	
CC(C)(C)CCn1cc(B(O)O)cnc1=O	2212716974	LCKDPRVWPBAUPJ-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
NCCC1CN(Cc2cccc(B(O)O)c2)C1	2214595004	JANGHLRIVHSXBA-UHFFFAOYSA-N	234.108	-0.853	50	10	BBGE	
C[C@@]1(C(=O)N2CCC(O)(C#N)CC2)C=CCN1	2215620910	FNSUDCKBGLAQTH-NSHDSACASA-N	235.287	-0.218	50	10	BBGE	
C[C@]1(CO)CCCN1c1ccc(B(O)O)cn1	2217171857	GARFYWMKHPAMTD-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCCCNC1	2217173574	PBBNYDGFGPHIDD-SECBINFHSA-N	236.080	-0.718	50	10	BBGE	
COC[C@H](C)N(C)c1nccc(B(O)O)c1F	2217182089	YXZMPRZOLWMRTN-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
N[C@@H](CCOc1cc(B(O)O)ccn1)C(F)F	2217195346	IVNPHIJGSACABV-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
C#C[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217203187	QQRSYEBOLKCZRA-UWVGGRQHSA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23CCOC[C@@H]2C3)c1	2223634809	OSPPWAZDELKBRO-JOYOIKCWSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCN(C)C2)cc1B(O)O	2223651916	ZRTVRYKNCFNQKD-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCCNC[C@@H]1C2	2223672687	BUICGSIYFPSKLG-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
COCCNS(=O)(=O)N1CC(Cl)C1	2241338359	KZUXXYVIFJWNOX-UHFFFAOYSA-N	228.701	-0.610	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C(F)(F)F	2241468821	VNBNTGMARSFREQ-BYPYZUCNSA-N	208.932	-0.931	50	10	BBGE	
CCOCCNC(=O)C1(B(O)O)CC1	2241481002	NWBWLBSPTRJXAO-UHFFFAOYSA-N	201.031	-0.854	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	2242171695	IJZIUYDBTSQZST-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C=C(C)CN(C)C(=O)c1occc1B(O)O	2243363330	FEOAYOURUWSVFG-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1occc1B(O)O	2243363952	PCXRQJWKVNRAON-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1occc1B(O)O	2243364630	ZZKZEATXJYUBTI-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
C[C@@H](CCCO)CNC(=O)C1(B(O)O)CC1	2243365776	RYEXJECBZQBAJJ-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392211	RZWLMRYICYLPQJ-BGZDPUMWSA-N	227.069	-0.467	50	10	BBGE	
CCN(C)S(=O)(=O)c1ccc(B(O)O)cc1	2243393835	ZBSGZLORUBMCLK-UHFFFAOYSA-N	243.093	-0.993	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cscc1B(O)O	2243399305	YPKDLCOIGBNZCT-RCOVLWMOSA-N	239.105	-0.044	50	10	BBGE	
CC1(F)CN(C(=O)c2sccc2B(O)O)C1	2243406898	HQYSYAUSIRGWGH-UHFFFAOYSA-N	243.068	-0.388	50	10	BBGE	
C=C(C)CONC(=O)c1ccoc1B(O)O	2243408400	MMRJOXNRIHHHMP-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
O=C1C[C@H](CN2CCC(B(O)O)CC2)CN1	2244180423	NDCVZSPLQGLGLU-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
O=C(NCC=C(F)F)c1cocc1B(O)O	2244219342	JPTYIJOFCNSEMY-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
C=CCCSc1ncc(B(O)O)c(OC)n1	2244583763	LQBRHRAXKQNDFB-UHFFFAOYSA-N	240.093	-0.167	50	10	BBGE	
C[C@@H](COC(F)F)Oc1ccc(B(O)O)cn1	2246672879	ZDVKASBRAFOPSC-LURJTMIESA-N	247.006	-0.232	50	10	BBGE	
O=C(NCCCN1CCC1)C1(B(O)O)CCC1	2247732544	HEHXKASGGPDZLT-UHFFFAOYSA-N	240.112	-0.405	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ccoc1B(O)O	2247739889	CIXOGCGCAMIUSP-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1ccc(B(O)O)o1	2247741922	HZHMXLXCLAKYQO-HQJQHLMTSA-N	235.048	-0.368	50	10	BBGE	
CN1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1(C)C	2247753650	IWCXTGOQPBUDGX-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1N(C)C	2247754605	NPUIORCAJAYMJR-RKDXNWHRSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)C[C@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247756669	TXUBIERNSRYJCP-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
CN(CCCCCN)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785539	MGVZHGVHFLXGJA-AOOOYVTPSA-N	242.128	-0.173	50	10	BBGE	
CC#CC[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788041	YISDOHSENODNIX-AEJSXWLSSA-N	239.080	-0.870	50	10	BBGE	
CCc1ncc(CNC(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247790201	FZYMBXZYQTXWRL-HTQZYQBOSA-N	237.068	-0.549	50	10	BBGE	
O=C(NCC[C@H]1CCCO1)C1CC(B(O)O)C1	2247796883	DPWSSHRPVCZNQJ-UDNWOFFPSA-N	241.096	-0.075	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)C2CC(B(O)O)C2)C1	2247796979	FHQQEOYERYWXOE-NWGYLPEXSA-N	241.096	-0.123	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2247797192	GXHRQHDYWRXCQE-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
COC1CC(CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247799943	JTGBAXKTTYKOEP-YDYPAMBWSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247806685	OMNVAPWIMPVVBR-AXTSPUMRSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1Cc2cncnc2C1	2247808954	NJOGZKDUIHXPLC-SFYZADRCSA-N	233.036	-0.818	50	10	BBGE	
COC[C@H]1CCN(C(=O)C#CB(O)O)C1(C)C	2247851183	WJHLUGJGAWGYCG-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
CN1CC(CN(C)C(=O)C2(B(O)O)CCC2)C1	2247853923	UPZVSAJQMOVRHZ-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)cc1C	2247859298	LRHXZXKETXRLLC-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C1(C)CC1	2247868753	XWYPNFWLXTYNLP-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247879526	UDHYGEZJXURCGY-IUCAKERBSA-N	240.112	-0.230	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)nn1C	2247886426	BNWOZBPNVXIBRZ-BDAKNGLRSA-N	237.068	-0.792	50	10	BBGE	
N[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247895335	RGFBDRFWNLRXLD-CDLYGTGVSA-N	238.096	-0.811	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305259	HIOVZIIIBLTRFJ-SCZZXKLOSA-N	242.323	-0.659	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cc(B(O)O)co1	2249412099	UYDXZCXEHBJHLI-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1cc(B(O)O)co1	2249420820	YSUVZASTGWDMMT-NBEYISGCSA-N	235.048	-0.512	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2249614706	WRQFGDHDOACRQV-QMSLJYSESA-N	249.261	-0.686	50	10	BBGE	
Cc1cccc(C(=O)NCCC#CB(O)O)n1	2250002015	FSRYFLKKIUYUFB-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
CCCN(C[C@@H](C)O)c1ncccc1B(O)O	2250543940	XASMVOVURTZBKA-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1c1ncccc1B(O)O	2251029375	GGALHOXADMNRNC-ZJUUUORDSA-N	236.080	-0.889	50	10	BBGE	
C#CCOC[C@H](C)Oc1ccc(B(O)O)cn1	2253015222	PEZXYPNKCNEDLF-VIFPVBQESA-N	235.048	-0.822	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2ccncc2B(O)O)[C@H]1C	2255449229	LGNIQXNSECVKER-YUMQZZPRSA-N	248.091	-0.607	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncc[nH]2)cc1B(O)O	2255512432	ZLBJOCLVVWZSNV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]32)oc1B(O)O	2255577251	RKUMLQNUGZKQDJ-XHNCKOQMSA-N	249.075	-0.204	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)cn2C(C)C)C1	2255733801	QWHRPQQFCSNXOM-UHFFFAOYSA-N	248.091	-0.239	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)c(B(O)O)c(C)c1	2255792755	MVNSAMINIITBPO-UHFFFAOYSA-N	245.087	-0.312	50	10	BBGE	
O=C(N=c1cc[nH][nH]1)Nc1cccc(B(O)O)c1	2255911124	RPGTWJVYASWFKO-UHFFFAOYSA-N	246.035	-0.845	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1nccnc1B(O)O	2256068440	AXFABCPPMGLODM-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298370160	QCRFWLDWSBEXCI-KATARQTJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371373	JXXFRJWDYKVXHP-JLIMGVALSA-N	240.112	-0.600	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2299721887	QLYYPRKRFRCDPL-IWSPIJDZSA-N	240.112	-0.694	50	10	BBGE	
Cc1ccc(NC(=O)C2(O)CC2)cc1B(O)O	2301919930	WEQLVRVFIPNUJI-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
OC[C@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836210	JJLHIMZUZPBKME-HZGVNTEJSA-N	240.043	-0.917	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC=C[C@@]1(CO)COC	2306855720	ABHDKTHKZOHUQJ-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@H]1CC[C@H]1C(=O)NN	2306891423	BDORHFTYUDOKCP-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CNCC12CC2	2314778965	MIQJFKMOCJHXIT-SECBINFHSA-N	247.107	-0.827	50	10	BBGE	
OB(O)c1ccc(N2Cc3cccnc3C2)nc1	2315384704	NOGREKZUWRSLCC-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CC[C@@H]1O	2317151573	SEKQNFQURLKEPM-PELKAZGASA-N	246.075	-0.579	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1(O)CCC1	2317151985	WYVFXJPTROYOEI-UHFFFAOYSA-N	246.075	-0.435	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@@H]1CO	2317166355	UJEYKEKYSKZYGB-NXEZZACHSA-N	246.075	-0.722	50	10	BBGE	
O=Cc1ccc(N2CCC[C@@H]2CO)cc1B(O)O	2317311091	KPWSXQWAGAOSFP-LLVKDONJSA-N	249.075	-0.860	50	10	BBGE	
C[C@@]1(CNc2ncc(B(O)O)cn2)CC=CCO1	2317888037	KJBGKVIJQRUQAS-NSHDSACASA-N	249.079	-0.697	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1cc(B(O)O)c(F)cn1	2320797418	XNQNZUOXCNDFLY-LLVKDONJSA-N	248.066	-0.252	50	10	BBGE	
O=C(CCBr)Nc1nnn[nH]1	41715442	JZVMXYUFQQIUFX-UHFFFAOYSA-N	220.030	-0.077	50	10	BBGE	
COc1ccccc1C(=O)NNC(=O)[C@H](C)N	49828519	AIPSXWDVUHJDOX-ZETCQYMHSA-N	237.259	-0.197	50	10	BBGE	
NNC(=O)CCNCCCN1CCCC1	58845335	JYXHOFTUNOCWFY-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
C[C@@H](CC(=O)NN)NCc1ccncc1	58854534	DVPLKZVZOIIZBQ-QMMMGPOBSA-N	208.265	-0.060	50	10	BBGE	
O=S(=O)(CCCl)N1CCOCC1	59835228	LUULJPIVJBTNTD-UHFFFAOYSA-N	213.686	-0.113	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1COc2ccccc21	70044537	QFCLBYJDCGUBSK-ZETCQYMHSA-N	221.216	-0.138	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2cnnc2C1	81544463	FJNMRUYPEXWIRL-SECBINFHSA-N	238.295	-0.892	50	10	BBGE	
N/C(=N\NC(=O)c1ccccc1)c1nnc(N)o1	82310007	CVRXUOXDBQTMNM-UHFFFAOYSA-N	246.230	-0.298	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1CCCO	82468751	ZPKWDPILMPPZGQ-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)CN1CCCN2CCC[C@H]2C1	82469363	PYKGGTZLCNKDPC-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1CCC(=O)NN	82470489	IFXZAJJGFUJXCI-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CN1C(=O)CC[C@H](NC(=O)CCl)C1=O	84406431	GDVICFJTQNOKPQ-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(CO)CC1	86313257	MZOUOEMGMRKIQN-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
O=C1CC2(CCS(=O)(=O)CC2)C(=O)O1	105359820	ILEXKGZKKSAGFP-UHFFFAOYSA-N	218.230	-0.345	50	10	BBGE	
CCN(CCCO)C[C@@H]1CC[C@H](C(=O)NN)O1	165707463	MQGCSZPBDMNZGT-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C=CCO/N=C/c1ccc(B(O)O)cc1	202433979	OHWQLQQJFCRPDV-XYOKQWHBSA-N	205.022	-0.097	50	10	BBGE	
CC1(C)O[C@H]2[C@@H](O)CN/C(=C/C#N)[C@H]2O1	238200451	WIMLSGGTZJODEX-AWEZUUPFSA-N	210.233	-0.122	50	10	BBGE	
O=C(CCl)N[C@H](CCCO)C(=O)O	238675789	AXJCJDNFPWUGMA-RXMQYKEDSA-N	209.629	-0.433	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1CCCO	251257597	XMOVEDDSOIAZSL-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCCC[C@H]1CO	253189458	ZOXRATRKPMFUFR-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC(F)(F)CC(=O)NNC(=O)C(C)(C)O	278056410	XTXJKRUILCPSPV-UHFFFAOYSA-N	224.207	-0.050	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@](C)(O)CC1	300238279	MMKMUJSHVJNPMG-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NNC(=O)Nc1nncs1	306288955	NJGAAJJOVNQLPH-UHFFFAOYSA-N	201.211	-0.289	50	10	BBGE	
CNC(=S)NNC(=O)c1cscn1	307709004	KZISHWRFHDJXTM-UHFFFAOYSA-N	216.291	-0.118	50	10	BBGE	
COC[C@H]1CCCCN1CCC(=O)NN	307783302	YURNYSIOHMBEQT-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(O)(C2CC2)C1	395806717	IXRUIVZSGPWJRN-VIFPVBQESA-N	241.335	-0.152	50	10	BBGE	
CC1(O)CN([C@H](C(=O)NN)C(C)(C)C)C1	395826484	XJJURLMDCYYHRB-SSDOTTSWSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)Cc1ccc(CCC#N)c(B(O)O)c1	396035430	AHLFTEIBRUWROJ-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H](C)[C@H]1C	399577076	QLLPNERCVJWMMM-AXTSPUMRSA-N	229.324	-0.032	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CCCF)CC1	402754527	BVQOEACRPDOUFA-JTQLQIEISA-N	246.330	-0.268	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)[C@@H]1C[C@H]1C	404996211	GTTDXNGGYXHHFP-VXNVDRBHSA-N	249.075	-0.031	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN(C(=O)CCCl)C1	642885445	KFTLXEIGYLVRII-YUMQZZPRSA-N	220.700	-0.217	50	10	BBGE	
OB(O)c1cncc(O[C@@H]2CCCCO2)c1	686652150	JPTQAOBTILLCNH-SNVBAGLBSA-N	223.037	-0.333	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)CCCC(=O)NN	688149533	XISMOLBFAFZKHG-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1cc(Cn2cncn2)cs1	689086379	GLPJSJHXPBERPV-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnccn1	700074263	FMWVHDIZEUUKTH-VIFPVBQESA-N	223.280	-0.323	50	10	BBGE	
COCC[C@H](C)C(=O)NNC(N)=S	700865413	HWGVFLLPVMQMAZ-YFKPBYRVSA-N	205.283	-0.477	50	10	BBGE	
Cc1c([C@@H]2C(=O)NC(=O)[C@H]2Cl)nnn1C	706078440	HRNMKNJJVNUMBL-UHNVWZDZSA-N	228.639	-0.529	50	10	BBGE	
COc1ccc(C)cc1C(=O)NCB(O)O	706490141	WJLQBIRQTHKGOW-UHFFFAOYSA-N	223.037	-0.255	50	10	BBGE	
C[C@@H]1N([C@H](C)C(=O)NN)CCOC1(C)C	708260091	IHJBXJNDKCVXGC-SFYZADRCSA-N	215.297	-0.136	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CNCC23CC3)CC1	716002859	QGOACYYLERCIOW-SNVBAGLBSA-N	249.314	-0.137	50	10	BBGE	
O=C(CO)NNC(=O)C1(CCF)CC1	810919225	UKKNUFBGHKDUDC-UHFFFAOYSA-N	204.201	-0.734	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CC1(C#N)CC1	816359894	JEKZQZUEPQDREQ-UHFFFAOYSA-N	225.248	-0.401	50	10	BBGE	
CC1=NO[C@H](C(=O)NNC(=O)NC(C)C)C1	824403800	BLUIPJGMNXJSBM-ZETCQYMHSA-N	228.252	-0.110	50	10	BBGE	
CC1(C)COCC1=NNC(=O)[C@@H]1CCC(=O)N1	863150599	AHJOERCDYATVHE-ZETCQYMHSA-N	239.275	-0.206	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(C)C1=O	910144451	IOTUQENUFZIHEI-BDAKNGLRSA-N	243.307	-0.801	50	10	BBGE	
CCOC(=O)NNC(=O)CCc1cn(C)nn1	1334619147	JCNKSFAUSDXSMY-UHFFFAOYSA-N	241.251	-0.475	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn(C)c1Cl	1464423262	CXDUIFOJAOXZMC-UHFFFAOYSA-N	231.643	-0.353	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@H]2F)nc1O	1608540500	BEHKDZYITNOYPM-CRCLSJGQSA-N	227.199	-0.313	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cnncc1O	1623767867	FSWWDCWXABTQLA-UHFFFAOYSA-N	226.192	-0.475	50	10	BBGE	
CCOC(=O)NNC(=O)c1cnn(C)c1OC	1638068536	OUOKUVOOLCPFGT-UHFFFAOYSA-N	242.235	-0.180	50	10	BBGE	
CNS(=O)(=O)NC1CC(Br)C1	1880297721	SEZHRMMZAFJUHX-UHFFFAOYSA-N	243.126	-0.034	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](O)[C@@H](O)C1	1882908096	VFGXRGXXGSRJMO-PRJMDXOYSA-N	209.673	-0.986	50	10	BBGE	
O=C(Cn1cnnc1)NCC#CCCl	1884824698	FREAJHFWZDPGCT-UHFFFAOYSA-N	212.640	-0.364	50	10	BBGE	
CC[C@@H](COCCC(=O)NN)N(C)C	1885002435	FLVWMEFTJIEVJZ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C[C@@H](O)CCl	1885616007	HLUHTZWGVSIEMK-XLPZGREQSA-N	223.700	-0.598	50	10	BBGE	
CO[C@@H]1C[C@@H](NS(=O)(=O)CCl)C[C@H]1O	1887066421	LPBKEKCNZCYXMS-RRKCRQDMSA-N	243.712	-0.360	50	10	BBGE	
COC(=O)C[C@@H](N)C(=O)CBr	1887610366	WMEJZZOHPZZGGD-SCSAIBSYSA-N	224.054	-0.159	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C[C@@H]2C[C@H]2Cl)C1	1893118950	KZXUKWVPUXUYAV-OOZYFLPDSA-N	218.684	-0.464	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccc(S(N)(=O)=O)cc1	1894493629	WGSHZHDXIMJHTM-DTWKUNHWSA-N	241.272	-0.782	50	10	BBGE	
C[C@@H](O)CCCN(C)CC1(C(=O)NN)CC1	1899923350	LQQAEGAZGSARSA-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)=C(CN1CCC[S@](=O)CC1)B(O)O	1901719047	ASYHMDBYMCVPER-INIZCTEOSA-N	245.153	-0.211	50	10	BBGE	
Nc1cnn(C2CN(C(=O)[C@H]3C[C@@H]3Cl)C2)n1	1902153465	DWQWHNCWEBKARR-BQBZGAKWSA-N	241.682	-0.129	50	10	BBGE	
CCN(CC(N)=O)C[C@](C)(CC)C(=O)NN	1902716140	OKSNTNQWNZYKJN-JTQLQIEISA-N	230.312	-0.800	50	10	BBGE	
O=C1CN([C@@H]2[C@@H]3CCCO[C@H]32)CC(=O)O1	1909914762	LABWNHRAACUOPB-WQGWLQIFSA-N	211.217	-0.451	50	10	BBGE	
C[C@@H](Cn1nnc2ccccc2c1=O)C(=O)NN	1912236460	YMHWEVBWDMTALF-ZETCQYMHSA-N	247.258	-0.583	50	10	BBGE	
CS(C)(=O)=NC[C@H]1C[C@@H]1C(=O)NN	1913521499	IBANHUYOIZJHDN-RITPCOANSA-N	205.283	-0.660	50	10	BBGE	
Cc1ncoc1C(=O)Nc1ncccc1B(O)O	1913664788	WXPVFKQWVIGIQJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CO[C@H]1CCN(Cc2cccc(B(O)O)c2)[C@H]1C	1914308921	OATLMRQYXKRRTH-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@@H]2COCC[C@H]2O1	1929753472	XCVDUVZQBIIZGA-GJMOJQLCSA-N	215.253	-0.647	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@@H](F)C1	1929909158	GJVJHFIMTGQFQL-RNJXMRFFSA-N	219.260	-0.840	50	10	BBGE	
NNC(=O)CN1CC[C@H]2[C@H](C1)C2(F)F	1931858735	UOBMYPGEFDYEMD-WDSKDSINSA-N	205.208	-0.437	50	10	BBGE	
CC[C@H](COC)CC(=O)NNCCO	1932157328	MCMOCPBFVYGJQF-QMMMGPOBSA-N	204.270	-0.338	50	10	BBGE	
O=C(NCB(O)O)c1ncsc1C1CC1	1934928002	IGUASZQHLBRRPE-UHFFFAOYSA-N	226.066	-0.238	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1936087100	YLGKIXUKWDYKDC-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CO)C(F)(F)C1	1937079905	XQZHKKOYRALEOU-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CN(C(=O)Cn1cncn1)[C@H]1COC[C@H]1Cl	1937146729	RSJDAUAQURSPIF-SFYZADRCSA-N	244.682	-0.257	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1938057550	ZOPTYZQCYVZUFG-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CC1(C(=O)NN)CC1	1938249292	SGJQMVNQSFWBCE-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C)[C@@H](F)C1	1939258280	UXLUDLJCWRRBTR-VGMNWLOBSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@H]2C1=O	1940089192	ZNYXCPMORTYNHC-JQCXWYLXSA-N	223.276	-0.519	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1COCCO1	1940286603	DUTLYSCFLAIMLB-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1941088059	OPWJREWDELHUHJ-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CC[C@@H]2O	1941290809	LBFRQXNYASAMMV-LXUNUROVSA-N	239.319	-0.542	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(CCOCC(=O)NN)C1	1941773254	VHNHDOIIFSZVHG-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)[C@H]1C(=O)N(C)C	1942611832	AMZGNNONWMMSEA-WCBMZHEXSA-N	242.323	-0.835	50	10	BBGE	
Cc1cnn(C)c1CN(C)[C@H](C)CC(=O)NN	1945337592	QKZAXLVMQXDPCJ-SECBINFHSA-N	239.323	-0.071	50	10	BBGE	
CCCn1cncc1CN(C)C(=O)C(=O)NN	1947538757	UXNGDCZGZSKNOB-UHFFFAOYSA-N	239.279	-0.759	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CC12CCC2	1949820899	VPIXZMZAXAQTJF-AEJSXWLSSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](O)CN(C)CCCC(=O)NN	1955926732	PZOMMQJYKANWCQ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CC(C)(C)CO1	1957545894	DQTJNJZLVQWJLA-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1CCC([C@@H](F)CO)CC1	1959590208	GDDMBRIDDOMNKT-QMMMGPOBSA-N	219.260	-0.981	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](CF)C1	1961591821	FMNIFXNGKQIGLI-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
NC(=O)C1(CNC(=O)NC(=O)CCl)CC1	1974870997	HWNGDONCDOUMSW-UHFFFAOYSA-N	233.655	-0.684	50	10	BBGE	
Cc1nc(SCC2CC2)ncc1B(O)O	1975032136	BKGUAJOEPGZERA-UHFFFAOYSA-N	224.094	-0.033	50	10	BBGE	
C[C@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1975100158	AFBRIORFLZVXES-YUMQZZPRSA-N	207.038	-0.816	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1CCCOC1	1981418284	KDURFYIHFPQXDI-SECBINFHSA-N	232.280	-0.564	50	10	BBGE	
CCON(CC)c1nc(C)ccc1B(O)O	1981445121	CVAHTDDREJGQPU-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
Cn1cnnc1Sc1ccncc1B(O)O	1981454826	PVKLSMSETXXVOM-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
CC[C@@H](C)N(C)c1nc(C)ncc1B(O)O	1981468464	CCOIBOOAXYHKQN-SSDOTTSWSA-N	223.085	-0.300	50	10	BBGE	
Cc1cc(N2C[C@@H](C)[C@@H]2C)ncc1B(O)O	1981470586	CBNJQMXBTGMBOV-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](CN1C[C@@H](C(F)F)CC1=O)C(=O)NN	1982224873	SGSXFCBEIBMWBD-RITPCOANSA-N	235.234	-0.274	50	10	BBGE	
O=c1c(B(O)O)cccn1CCCC(F)F	1984106977	KQMYVROWODIJNH-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C2(O)CC2)CC1	1987342482	XPYNPSPOSQZFNI-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H]1C[C@@H]1CN=c1[nH]c(CCl)nc(=N)[nH]1	1987751379	UKVQPOMRVBRWEN-RITPCOANSA-N	243.698	-0.108	50	10	BBGE	
CN(CCC[C@@H]1CC1(F)F)C(=O)C(=O)NN	1990991408	MJNHSGOORURAEH-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
NC(=O)COC1CN(C(=O)C=CC(=O)Cl)C1	1991662475	LIMOEEKQUWWLBV-UHFFFAOYSA-N	246.650	-0.979	50	10	BBGE	
CN1CCN[C@H](CNC(=O)/C=C/C(=O)Cl)C1	1991703000	BCTUICZXZCAKIT-UFUPEUMYSA-N	245.710	-0.672	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@]1(O)CCOC1	1991712717	KDATUMPDMLWZGL-YOLVWIGZSA-N	247.678	-0.034	50	10	BBGE	
C[C@]1(CO)COCCN1C(=O)/C=C/C(=O)Cl	1991715111	PUFBCPMMTSASGX-PBKGFPTLSA-N	247.678	-0.082	50	10	BBGE	
COCC12CC(C(=O)NNC(N)=S)(CO1)C2	1994901203	YWZQNIROAVLUBX-UHFFFAOYSA-N	245.304	-0.954	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@]2(CCOC2)C1	2002821503	AJJFUGYGNYTAIW-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)CCCN1CCn2ncc(O)c2C1	2002893282	MZMRLCFWFGOJFB-UHFFFAOYSA-N	239.279	-0.826	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCCOC1	2004915597	ANGALJUVMKVILM-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@H]21	2004919254	WOHOETSPWGFWSZ-FXBDTBDDSA-N	233.080	-0.609	50	10	BBGE	
COC(C)(C)CN(C)c1ncccc1B(O)O	2004934520	GEZGNLQLKBAFJA-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCC[C@@H]32)n1	2005014957	UAUTUQGTJMMNLK-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
CO[C@@H]1CCN(c2ncc(B(O)O)cc2C)C1	2005015675	DKUXSSVAUFBYAA-SNVBAGLBSA-N	236.080	-0.705	50	10	BBGE	
C=CCO[C@H]1CCN(CC(=O)NNC(C)=O)C1	2019220544	ZGYMLLKJSYPNMT-JTQLQIEISA-N	241.291	-0.569	50	10	BBGE	
CCn1nc(C)cc1C(=O)NCC=CB(O)O	2020067497	IETFBJIQQGFJOP-UHFFFAOYSA-N	237.068	-0.491	50	10	BBGE	
Cc1nc(O[C@@H]2CCC[C@@H]2F)ncc1B(O)O	2020493157	IPZOUFGLPZDFSZ-DTWKUNHWSA-N	240.043	-0.266	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2022763010	YFNCNEZRCHKFJS-SCVCMEIPSA-N	241.335	-0.295	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1nnc(O)o1	2023050650	VYGRNZILGRLESW-RFZPGFLSSA-N	239.187	-0.808	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC4(CC4)C3)(C1)C2	2023853902	OSHYNNILUZJPGZ-HAQNSBGRSA-N	237.303	-0.379	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1CC[C@@H]2C[C@H]21	2040236469	PIVBIEICJUEXTG-SZEHBUNVSA-N	246.075	-0.254	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CO[C@H]2C[C@@H]1C2	2063130030	DPRYZUXOSWDZGB-GDPRMGEGSA-N	248.091	-0.625	50	10	BBGE	
NNC(=O)C1(CSCCO)CCC1	2209363930	RWVKLIYIBBVBFF-UHFFFAOYSA-N	204.295	-0.128	50	10	BBGE	
CN(C[C@@H](F)[C@H]1CCOC1)C(=O)NN	2209976056	JUXPUMYTGSZSRR-NKWVEPMBSA-N	205.233	-0.124	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)c(C)cn2)cn1	2212595479	OUOSNMODOWRHLE-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
COCCCCN=c1ccc(B(O)O)c[nH]1	2212602509	FOJMPIOEUDDYJI-UHFFFAOYSA-N	224.069	-0.978	50	10	BBGE	
CCN=c1ccc(B(O)O)c(C(F)(F)F)[nH]1	2212604333	ODZRYAUPAXXALA-UHFFFAOYSA-N	233.986	-0.366	50	10	BBGE	
C=CC[C@@H](CO)Nc1cc(B(O)O)ccn1	2212610600	LOYKLHCBFMNAKZ-VIFPVBQESA-N	222.053	-0.890	50	10	BBGE	
N#C[C@H]1CCN(c2ncccc2B(O)O)C1	2212613814	YVFZIOIWWDQESQ-MRVPVSSYSA-N	217.037	-0.889	50	10	BBGE	
Cc1csc(=O)n1Cc1cccc(B(O)O)c1	2214594297	FHTZNJUKVQBCHM-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2215006249	BCZNDFWYSJBSTP-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CC[C@@H]1C[C@H]1CCn1cc(B(O)O)ccc1=O	2215323478	DZROKUGGUSTWLG-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@@H]1CC[C@@H]1C(=O)NN	2215776309	LYELXMVYIIMXBE-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC(CO)CC1	2215776977	PVXTWVSNQVUFKD-MNOVXSKESA-N	241.335	-0.293	50	10	BBGE	
CO[C@@H](CNc1ncccc1B(O)O)C1CC1	2217173519	RURQICSVLNHPBZ-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
N[C@@H](CNc1ccc(B(O)O)cn1)C(F)(F)F	2217176786	AIJRRXGFDNSSRL-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
C#C[C@H]1CCCCN1c1ccc(B(O)O)cn1	2217182657	GBFUKIQESXSGPP-NSHDSACASA-N	230.076	-0.247	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@H]3C[C@@H]3C2)[nH]c1	2217183388	KUWNDBBAMMBPOS-OWUUHHOZSA-N	232.092	-0.359	50	10	BBGE	
C#C[C@@H]1CCCN(c2ncccc2B(O)O)C1	2217198142	XEFJJMAXOAELCJ-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3NCC[C@@H]32)nc1	2223634508	LKMCSMLPRQUPSB-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]3C=C[C@H]2CC3)nc1	2223673136	DTEDYTQBQVYEIP-QXEWZRGKSA-N	245.091	-0.077	50	10	BBGE	
CCn1ccnc1CNc1cc(B(O)O)ccn1	2223679232	MWHOSONNLJLDHE-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
CC(C)NC(=O)c1cc(B(O)O)cs1	2241495579	KUTHIWGSBYUYSI-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
OC[C@@H](O)[C@H]1CCN1CCBr	2241812081	XBOODEIZRORJMQ-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
CO[C@H](CO)CNC(=O)/C=C/C(=O)Cl	2242438523	JBXJLLMNUNUJSN-SZKDQXIBSA-N	221.640	-0.569	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)C1(B(O)O)CCC1	2243358475	HQHLQLYYOPVPQC-YUMQZZPRSA-N	227.069	-0.587	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1occc1B(O)O	2243365889	UNIYEDJVPVJQQF-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CCN1	2243366122	XODKOPBQFDEFNN-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
CCCNC(=O)c1ccc(C)cc1B(O)O	2243366578	FHDLTASWLOFTMW-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
N#CCNC(=O)c1ccc(B(O)O)c(Cl)c1	2243367200	PHNSGQYORTXYMZ-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
C=CCCCNC(=O)c1sncc1B(O)O	2243385502	JVCVDQGVUZSUOW-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CC(C)[C@@H](NC(=O)C#CB(O)O)C1CCC1	2243404193	KSWDKCOXGGDKRD-LLVKDONJSA-N	223.081	-0.057	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)c(Cl)c1	2243411016	MBXDIGQETBVTDR-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CC[C@@H](CCO)CNC(=O)C1(B(O)O)CC1	2243411082	NKIUVYIDCZHTKI-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
CN(Cc1csc(B(O)O)c1)C(=O)C(F)F	2243677967	CDPORWKLTFLCNA-UHFFFAOYSA-N	249.047	-0.349	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1N(C)C	2247754602	NPUIORCAJAYMJR-BDAKNGLRSA-N	240.112	-0.598	50	10	BBGE	
CN(C)C[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2247757244	PVEUWNSDVFWDLU-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(NCCCOCC1CC1)C1(B(O)O)CC1	2247757744	RNGJLPFBPYNUJQ-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247796490	AALQEZTZEUZREM-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCCOCCC1CC1)[C@H]1C[C@H]1B(O)O	2247800232	MYRFWOJXGPXNIR-VHSXEESVSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CC[C@H](CCN(C)C(=O)C#CB(O)O)O1	2247850096	JUFCGTUXXKBJCR-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
C[C@H](CO)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247851250	XGPMMYXVQSFCFF-ZJUUUORDSA-N	239.080	-0.989	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247858043	AEXAIPKBFKDYCF-AATLWQCWSA-N	243.112	-0.237	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247869800	YRQGDIZYSDNKHW-JGVFFNPUSA-N	237.064	-0.266	50	10	BBGE	
CC[C@@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247877616	CFBGQQTWRBTQDR-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CN(Cc1ncon1)C(=O)C1(B(O)O)CCC1	2247878088	HNXGPTTVDFPIJI-UHFFFAOYSA-N	239.040	-0.575	50	10	BBGE	
CC(=O)NCCCNC(=O)C1(B(O)O)CCC1	2247880007	XIVRAPIGSYYDEQ-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
Cc1ncc(NC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2247886838	GYEGNZZAZVYWBD-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
COC1(CF)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247887415	NXZLEAYWSKTIFC-ZKCHVHJHSA-N	245.059	-0.564	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](CO)[C@@H](F)C1	2247895950	CNCXUQHYGDZECR-JBDRJPRFSA-N	245.059	-0.972	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@@]1(CO)C2	2247896206	FCCXGAYYAFFWDN-CKEKPRIKSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC=CCC12COC2	2247899513	NTCFZPSMWOZERA-DTWKUNHWSA-N	237.064	-0.593	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CC=CCO1	2248419670	FNKZEZGVQYDMCS-VHSXEESVSA-N	237.064	-0.452	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1CC=CC1	2248420481	VGQXRNGTKBIGQT-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
Cc1ccc(NC(=O)C[C@H](C)O)c(B(O)O)c1	2248439695	LDWCYOBHAMOWNQ-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248585378	KHKNESVUMZIYCV-FXQIFTODSA-N	243.068	-0.391	50	10	BBGE	
CC1(C)CN(C(=O)Nc2ccnc(B(O)O)c2)C1	2254041661	KJCTXCWAWQUATB-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
O=C(NC1CC2(CCC2)C1)c1cc(B(O)O)c[nH]1	2255460999	AUXWYEBRHSUUTC-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CC[C@@H]2C)c1	2255502458	XQWWEFDPZDMEAP-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)cn1C)C(C)C	2255509509	RGYIXYBJRWMKTD-JTQLQIEISA-N	248.091	-0.908	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1n[nH]cc1B(O)O	2255554133	IOFZFFUEVGRMJD-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC12CCCC2	2255555082	WCEJLJUMFCZWQZ-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1c[nH]nc1B(O)O	2255583780	RAOUYALKJUZGMW-CBAPKCEASA-N	249.079	-0.992	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CC(=O)N2	2255673021	NMWXBIZGPXYVQW-UHFFFAOYSA-N	244.015	-0.865	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ncc(B(O)O)cn1	2255774697	JHZHXSKKVZACJF-LLVKDONJSA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(C(=O)Nc2nccn2C)oc1B(O)O	2255779426	GBGALGZCLORPNP-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(c1cocc1B(O)O)N1O[C@H]2C=C[C@H]1CC2	2258141530	JYCSYPPRZLUMDL-YUMQZZPRSA-N	249.031	-0.566	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@H]21)[C@H]1C[C@H]1B(O)O	2298368639	PRRKGYPCUUWCNN-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
O=C(O)C[C@@H]1C[C@@H]1CNC(=O)C1(B(O)O)CC1	2299283922	UOECQIJYBQKOKL-NKWVEPMBSA-N	241.052	-0.780	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	2299721885	QLYYPRKRFRCDPL-DJLDLDEBSA-N	240.112	-0.694	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2301503177	SJMZODZKNYESNW-DZEUPHNYSA-N	239.080	-0.779	50	10	BBGE	
CC[C@@](C)(CN1CC[C@](F)(CO)C1)C(=O)NN	2303420911	CTHBAKHSPDDGNZ-WDEREUQCSA-N	247.314	-0.201	50	10	BBGE	
N[C@H]1C[C@H](COc2cc(B(O)O)c(F)cn2)C1	2303849885	NMGNNNVPUSRJBH-LJGSYFOKSA-N	240.043	-0.983	50	10	BBGE	
O=Cc1ccc(N[C@H]2CCCNC2)cc1B(O)O	2317350518	UGVIKXZPHKAVSD-NSHDSACASA-N	248.091	-0.657	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nnc3ccccn23)C1	2319665502	ZARQRYMABVIUJQ-VIFPVBQESA-N	246.079	-0.222	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1=CCCOC1	2327493994	ZYLDUHRMKSBIMK-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccccn1	35695587	BQRGIEXAXJJFCY-ZCFIWIBFSA-N	208.221	-0.751	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C)[C@H]1CN	70178208	LTPHVIFUDKXQCN-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H]1CCN([C@H](C)CC(=O)NN)C1	81121029	YWFMCIDOXDWMFI-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1CCC[C@H]1CCCO	82468743	HORBRUXOLDJXJY-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1CCNCC1	82470941	BKINGEXPNOCSHY-JTQLQIEISA-N	228.340	-0.315	50	10	BBGE	
CNC(=O)c1ccn([C@H](C)CC(=O)NN)n1	82878022	QPCUMANAILIBSK-ZCFIWIBFSA-N	225.252	-0.816	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(N)CC1	86313657	QPHDYJLDTQGSHW-SFYZADRCSA-N	214.313	-0.576	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1nccn1C	93071973	UDLNBAFSPZRRHS-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
N#Cc1nccn1Cc1csc(C(=O)NN)n1	94940811	XOVJVLHLZWYHPM-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
N[C@@H](C/C(C=O)=C/C=C(\O)C(=O)O)C(=O)O	100586740	OAPFPZKGGMKELA-CWXNBLNTSA-N	229.188	-0.560	50	10	BBGE	
CN(C)NC(=O)NCC(C)(C)C(=O)O	149105046	HZHZXYIADSZUCA-UHFFFAOYSA-N	203.242	-0.127	50	10	BBGE	
COCCOCCCCNC(=O)NN	167237992	MEWFDSVTGYIMGV-UHFFFAOYSA-N	205.258	-0.398	50	10	BBGE	
O=C=NCNC(=O)Nc1[nH]nc2c1CNCC2	170294348	OKDUJUCAMXYFJP-UHFFFAOYSA-N	236.235	-0.530	50	10	BBGE	
CCC[C@@H](N)C(=O)N[C@H](CCl)C(=O)O	209511119	HKHSYFRVFBSWOT-PHDIDXHHSA-N	222.672	-0.078	50	10	BBGE	
O=C(Cl)[C@@H]1C(=O)S[C@@H]2CC(=O)N12	210180792	MMTCCZKEGOVAHQ-QWWZWVQMSA-N	205.622	-0.048	50	10	BBGE	
COC[C@@H](O)CCNC(=O)CBr	230152876	PEDQZFQVNJQMMK-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
CC(C)NS(=O)(=O)c1ccccc1B(O)O	230819470	VNAHPMHUVOULRA-UHFFFAOYSA-N	243.093	-0.947	50	10	BBGE	
O=C1CCCc2ccc(B(O)O)cc2N1	238647601	GWUHEOXXZJKNCV-UHFFFAOYSA-N	205.022	-0.359	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1CCO	251222192	NCGFFSJZRYNYGN-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
COc1ccccc1C(=O)NNC(=O)[C@H](C)O	276109804	ANXAQXTVWMVNTK-ZETCQYMHSA-N	238.243	-0.163	50	10	BBGE	
OB(O)c1csc2c(O)cc(O)cc12	307335268	BDQRBNZRMRFXCQ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NC(=O)NN=C(C(=O)O)c1cccnc1	308673644	BZRPNTATZWAHCZ-UHFFFAOYSA-N	208.177	-0.461	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](O)C1(C)C	309284017	OAVQCMGWHSXOTI-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CN(Cc2occc2C(=O)NN)C[C@H]1O	388798635	JBZLKDZEULWZFI-IONNQARKSA-N	239.275	-0.304	50	10	BBGE	
CC(C)(CCN1CCO[C@@H](C#N)C1)C(=O)NN	395719000	RGSRKURUIGDBQM-VIFPVBQESA-N	240.307	-0.383	50	10	BBGE	
Nc1ccc(B(O)O)c2sc(C(=O)O)cc12	396235597	BRVUDCOPMOHQSO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCN([C@H]1CCCOC1)[C@H](C)C(=O)NN	402670447	CAQHYDJPUGURCT-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1cc[nH]n1	405047599	FTYKDXAKGYYNNU-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1ccon1	405052595	JESCHHFYHFRDNO-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CC[S@](=O)N(C)Cc1ccc(B(O)O)cc1	405092054	USMMYBORDJJYET-INIZCTEOSA-N	241.121	-0.518	50	10	BBGE	
O=C(Cl)NC[C@@H]1CN2CCN1CC2	575502447	VNCSXLGPBDSXFW-SSDOTTSWSA-N	203.673	-0.065	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)C[C@H]1CO	687625421	WEIUERFGOHNVFL-IUCAKERBSA-N	217.700	-0.274	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H](N)C2)cs1	689551350	GODQCFXOSDVDFS-MRVPVSSYSA-N	240.332	-0.115	50	10	BBGE	
NC(=O)N[C@@H]1CCN(S(=O)(=O)CCl)C1	690802365	BUKLAPKATZNUNJ-RXMQYKEDSA-N	241.700	-0.745	50	10	BBGE	
C[C@H]1NCC[C@H]1C(=O)N1CCC(O)(C#N)CC1	692122714	DSAWFEODNRCEDG-NXEZZACHSA-N	237.303	-0.139	50	10	BBGE	
CC(C)(C)C(=O)NCCCC(=O)NCB(O)O	701930948	FTDSZOXLHDSOPK-UHFFFAOYSA-N	244.100	-0.943	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2=CC[C@H](N)C2)CC1	702453258	IXZZAGMJFMWONJ-JTQLQIEISA-N	235.287	-0.089	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1cccc(B(O)O)c1	703518848	QRLGZXMGNBEASE-JOYOIKCWSA-N	236.076	-0.082	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCNC(=O)C[C@H]1C	707176702	UYAFNWGIQRSAFW-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCCCCN	710757446	FXDFNRMDEGZCOZ-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](F)[C@@H](F)C1	714557835	GITIRJRBPDODOR-LYFYHCNISA-N	207.224	-0.253	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1(CO)COC1	717598485	UDZFIVLICRPEDD-ZCFIWIBFSA-N	207.657	-0.261	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCSC1	718256618	SRVJIMRNWALQDC-SSDOTTSWSA-N	203.311	-0.339	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721717361	OZFYMQSPYJEOER-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
[O][S@@+]1(=O)CCC[C@@H]1C[N+]1=N[C@H](B(O)O)C=C1	725706549	LTUCFQLNJBYSNH-SFYZADRCSA-N	245.089	-0.634	50	10	BBGE	
N[C@@H](C(=O)NNc1ncccn1)C(F)(F)F	826726210	IJVOAHMTFCKQFK-BYPYZUCNSA-N	235.169	-0.191	50	10	BBGE	
CC1(C)C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O	863464406	NPMPEGVCGWNXRD-LURJTMIESA-N	248.304	-0.776	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)CC1CC1	908447874	IZNOHGJDUGGXGX-UFUPEUMYSA-N	212.249	-0.129	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cn2c(n1)CCC2	910147085	OWDHYFYVOMHQRS-QMMMGPOBSA-N	238.291	-0.213	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CC(=O)N(C)N1	953096173	KEPICJVBIPJEID-PHDIDXHHSA-N	219.672	-0.535	50	10	BBGE	
CN(NC(=O)c1coc(CO)c1)C(N)=O	1295201357	LSWQRUZAGXGQFD-UHFFFAOYSA-N	213.193	-0.573	50	10	BBGE	
CC(C)(C)NCC(=O)NNC(=O)[C@H]1CCCO1	1347734571	RGKGJIHHFNNWGZ-MRVPVSSYSA-N	243.307	-0.299	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CNC(=O)C1	1451481300	XIMGVYZSSORWBX-FZGDARCMSA-N	237.259	-0.317	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC[C@H](C(N)=O)C1	1464955045	URXJNACHVIISQS-INTFFVIUSA-N	237.259	-0.236	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)c1ncccn1	1597865674	YIQNUPZVSVZZAV-MRVPVSSYSA-N	248.242	-0.724	50	10	BBGE	
C[C@@H](C#N)NC(=O)c1cc(B(O)O)ccc1F	1625210580	HXLCQRHENSJAPO-LURJTMIESA-N	236.011	-0.853	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)c1ccnnc1	1639367415	LBACXFBEDXAYOB-ZETCQYMHSA-N	238.247	-0.337	50	10	BBGE	
CC(C)(C)OC(=O)NC1CC(O)(C(=O)NN)C1	1880054546	QLZNFFXJFKHEHY-UHFFFAOYSA-N	245.279	-0.606	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H]2Br)COC1	1883538165	QQJXYXHQGCEKMU-WDSKDSINSA-N	249.108	-0.386	50	10	BBGE	
NC(=S)CS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883566235	HXKFPEJMCKPAEB-WHFBIAKZSA-N	242.753	-0.181	50	10	BBGE	
NC(=S)NNC(=O)[C@]12C[C@H](CO1)C2	1884152005	QOJXSVHDOTVBJO-KIRWANIJSA-N	201.251	-0.970	50	10	BBGE	
CN(NC(=O)CCl)S(=O)(=O)C1CC1	1888554714	PAIFNIBWBFGEDC-UHFFFAOYSA-N	226.685	-0.320	50	10	BBGE	
CC[C@@H](C)NC(=O)NN(C)S(C)(=O)=O	1888571086	CELWODXBTJWLCO-ZCFIWIBFSA-N	223.298	-0.110	50	10	BBGE	
CN=c1[nH]c2cc(B(O)O)ccc2s1	1892282154	DSNLXAWFOZLKKV-UHFFFAOYSA-N	208.051	-0.560	50	10	BBGE	
N[C@H](CCNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893445874	HIRWQILNLCIUQG-HSUXUTPPSA-N	220.656	-0.468	50	10	BBGE	
O=C(NC[C@@H]1CNC[C@@H]1O)[C@H]1C[C@H]1Cl	1893454468	XDQZMRDCNWJJRB-HSNKUXOKSA-N	218.684	-0.690	50	10	BBGE	
CCN(C(=O)c1cnsc1B(O)O)C1CC1	1900466298	DYCITZDCEPZPLD-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
N#CCCC1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	1900603814	XDFAHIVVXSERKO-RKDXNWHRSA-N	222.053	-0.389	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@H](N)C1)S(C)(=O)=O	1901339692	RODOKJKNYHVTPS-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
C=C[C@@H](CCl)NC(=O)c1nnn(C)n1	1901505537	XQZUCTYCMFNFDD-YFKPBYRVSA-N	215.644	-0.267	50	10	BBGE	
CN(C[C@H]1CCO1)CC1(C(=O)NN)CCC1	1901979727	KYHQHFVPXWEBRI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](O)[C@@H]1C)C(=O)NN	1902707139	QXNPKWMHNBHYKM-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(C1)CC2(F)F	1914535138	WKYQMBXAMLLXQE-RNFRBKRXSA-N	231.246	-0.047	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CO)CCC1	1914969911	PRWCYZDCZIFFTC-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
CCCN(CCCC(=O)NN)C1COC1	1915660712	QWEUHSSJGWHKFM-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CC(C)CCN(CCO)[C@H](C)C(=O)NN	1924502093	OAODRJVFAJTMNH-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]2C1	1927817273	ZWNWEUIZJUOSCA-KNVOCYPGSA-N	219.235	-0.047	50	10	BBGE	
CN(C)C(=O)O[C@H]1CCN(C(=O)NN)C1	1928722678	ZCGBJTOLAWGIHN-LURJTMIESA-N	216.241	-0.658	50	10	BBGE	
CC(C)(C)OC(=O)N(N)Cc1nn[nH]n1	1930121451	STIMANAIXOGVIB-UHFFFAOYSA-N	214.229	-0.190	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H](O)CF	1930559529	HFAUNRCHLBGZDD-FSDSQADBSA-N	217.196	-0.767	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1csnn1	1930600154	AIDGQJTVTFZCAF-SSDOTTSWSA-N	229.309	-0.262	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C1=O	1931260338	KTLFXIJIIPFQCR-SSDOTTSWSA-N	211.265	-0.375	50	10	BBGE	
Cc1csnc1C(=O)NCB(O)O	1932794599	BLNSWQXGVGQKAU-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCC(=O)N(C)C	1935554741	RYRWEZMWGHHXBO-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936095019	SKFCXHOOCNQHCT-UWVGGRQHSA-N	226.324	-0.750	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@@H](CO1)C2	1936982593	FVTNVJBHHCTNKV-XCBNKYQSSA-N	227.264	-0.948	50	10	BBGE	
CC[C@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1937983460	GHIXEWKLYZVQIG-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941289303	WOGRFRDFDPDJLV-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	1943069429	AEJLCBGSOMPNTR-ATZCPNFKSA-N	241.335	-0.439	50	10	BBGE	
CC1(C)CCN(CCOCC(=O)NN)CCO1	1943965417	IIGOBHKZGAUPMU-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
O=C(NNCCO)c1cccc2c1OCCO2	1944215471	IWHIJTAXOAQPBL-UHFFFAOYSA-N	238.243	-0.316	50	10	BBGE	
CCCCN(CC(N)=O)CC1(C(=O)NN)CC1	1945884085	LEZZCNDOIGYIKR-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
COCC1(OC)CCN([C@@H](C)C(=O)NN)CC1	1946476317	XOOAJSPVCRMOLQ-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CC(C)C[C@@H](OC[C@H]1COCCO1)C(=O)NN	1948420645	NIHQXXFKKHHIRR-NXEZZACHSA-N	246.307	-0.177	50	10	BBGE	
CN(Cc1cnnn1C)CC(C)(C)C(=O)NN	1950439917	ZSWQEYKZXSIONP-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
N#C[C@@H](O)[C@H](N)Cc1ccc(O)c(O)c1	1952838062	GFMJMKFYMRFWFG-GMSGAONNSA-N	208.217	-0.148	50	10	BBGE	
COc1ncc([C@H](N)[C@H](O)C#N)c(OC)n1	1953032474	ZSGVBHSFVFZESJ-RQJHMYQMSA-N	224.220	-0.622	50	10	BBGE	
C[S@@](=O)C1CN(S(=O)(=O)CCCl)C1	1954058445	YDGJKOJZYAXDAS-GFCCVEGCSA-N	245.753	-0.382	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@H]2COC[C@H]21	1954369844	ZKLGLHAXEBKACL-XVMARJQXSA-N	205.641	-0.557	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@H]1O)OCCl	1954819043	JUJNNVMTYQAFSW-KVQBGUIXSA-N	209.629	-0.207	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)[C@@H]2COC[C@@H]21	1955240588	OKEUMRQMLRUWQN-DSYKOEDSSA-N	241.696	-0.796	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@@H]1CO	1957828605	PUPMLFOUOXLVRD-XUTVFYLZSA-N	211.217	-0.716	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCC(O)CC1	1958632559	CLJOGKBLEHUARQ-UEJVZZJDSA-N	215.297	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H]1C	1959198635	VMNFCZNTMWURIE-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CCCOCC1CN([C@@H](C)C(=O)NN)C1	1960436415	SLAXDZCWBIBBEV-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
OC1[C@@H]2COC[C@H]1CN(C[C@H](O)CCl)C2	1960700844	GPHFHSAPIFYGES-WSSOQDAQSA-N	235.711	-0.475	50	10	BBGE	
C[C@]1(C#N)CCCN(CCC(=O)NN)C1	1961471909	GTVOSZZUCTZXCY-SNVBAGLBSA-N	210.281	-0.008	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961926426	MUOJTHNMEDRYRT-VVULQXIFSA-N	235.711	-0.598	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1975152967	RLGTZXVAQUUJLG-RBXMUDONSA-N	213.281	-0.790	50	10	BBGE	
NC(=S)NNC(=O)c1ccn2nccc2c1	1978926126	WISJLBNOXYNZRY-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2C[C@@]2(O)C1	1980982206	NFHUYEGQWZLDLI-TURQNECASA-N	225.292	-0.931	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCCC[C@@H]1O	1981406443	DRENLEFHODYGMB-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@H]2C1	1981423278	BLPQMGSSGAOPKN-BDAKNGLRSA-N	218.065	-0.392	50	10	BBGE	
OB(O)c1cnccc1Sc1ncccn1	1981464903	HYAYMSLTDZBUKR-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
Cc1nn(C)cc1OC[C@@H]1C[C@@H]1C(=O)NN	1986050047	OLOMOGPQLDLCIG-YUMQZZPRSA-N	224.264	-0.267	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COC[C@H]21	1987062400	SJEZQYQDKDKVJL-NKWVEPMBSA-N	235.234	-0.668	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2COCC[C@H]21	1989934243	BCCAZVACWLYNGP-ZYUZMQFOSA-N	225.292	-0.667	50	10	BBGE	
CN1C(=O)NCC12CN(C(=O)[C@@H]1C[C@@H]1Cl)C2	1991692530	HOBHQKFASFGJRI-RQJHMYQMSA-N	243.694	-0.150	50	10	BBGE	
C=C(CN1C[C@H](CC)[C@H](N(C)C)C1)B(O)O	1992147110	ZDZQGTDCYGROOB-WDEREUQCSA-N	226.129	-0.173	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1	1992394987	LCNQRXZTSJJVPW-SOYHJAILSA-N	225.292	-0.241	50	10	BBGE	
CN1CC(CN2CCN(CCCl)C(=O)C2)C1	1992802629	JWPXZXHOTWPTMV-UHFFFAOYSA-N	245.754	-0.069	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1(CCO)CCC1	1994893280	UOYXZRZNQGJXCA-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1c1ncon1)C(=O)NN	1997752147	JNPYWXQPHOFSRC-HTQZYQBOSA-N	239.279	-0.168	50	10	BBGE	
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NN	2004373913	WGGDEVBCBKTSNS-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)CC1(F)F	2004911496	HWVNNAGPNMFQKF-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
CCOCCN(CC)c1ncncc1B(O)O	2004914759	RSXHEWXSGAMNDJ-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(C)(C)F)n1	2005014436	LRUBZYONBNJPDC-UHFFFAOYSA-N	241.075	-0.351	50	10	BBGE	
OB(O)c1cnc(N2CC3(F)CC2C3)c(F)c1	2005014861	RQUINQMUPSOJOM-UHFFFAOYSA-N	240.018	-0.409	50	10	BBGE	
NNC(=O)C1(CN2CCC3(CC2)COC3)CC1	2008333510	KPLLSEPHOCNZBE-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
OB(O)c1ccc(Cn2cc(F)cn2)c(F)c1	2021030176	RBAYWWMVVDNNIY-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
Cc1cnc(N2O[C@H]3C=C[C@H]2C3)c(B(O)O)c1	2021854628	RNQWWILXVLRGIV-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COn1nnc2ccccc21	2028044376	ODPBNCWHKBEOFP-SFYZADRCSA-N	247.258	-0.514	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1C#N	2041347954	GOKKWSRRVQTCPH-DTWKUNHWSA-N	246.270	-0.346	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(c1ncccc1B(O)O)C2	2052493164	YIJRDWBWCUZHLE-UWVGGRQHSA-N	247.107	-0.956	50	10	BBGE	
Cc1cnc(N(C)[C@H]2CCN(C)C2)c(B(O)O)c1	2052625447	LYVJNNLXPQKHFT-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cccc(B(O)O)c1	2079011775	JDKMJPMOAHJWAB-SECBINFHSA-N	246.075	-0.212	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@@H]3C2=O)CC1	2211798068	LAADRIBQIUQWJH-YUMQZZPRSA-N	223.276	-0.375	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212286994	XLEMJFOOXOCQGX-BRPSZJMVSA-N	219.049	-0.061	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@H]2C[C@H]1CO2	2215776985	PZEBCPZSIPEPRX-RCWTZXSCSA-N	239.319	-0.134	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1Nc1ncccc1B(O)O	2217175983	QCCYMLNXGPRYHM-BDAKNGLRSA-N	236.080	-0.667	50	10	BBGE	
C#C[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217178075	RDQRBSFCUOSEER-GXSJLCMTSA-N	230.076	-0.025	50	10	BBGE	
CCC[C@@H](O)CCN=c1ccc(B(O)O)c[nH]1	2217184306	RUBXBLPXWGOPFE-SNVBAGLBSA-N	238.096	-0.854	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1Cc1cccc(B(O)O)c1	2220070676	FPZFNFWXQUMVAP-ZWNOBZJWSA-N	249.119	-0.288	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2CC[C@H]2C)ncc1B(O)O	2220568501	NORCMJGNDXOPFB-HTRCEHHLSA-N	249.079	-0.551	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN(C)[C@H]2C)cc1B(O)O	2223651543	COBWCSOBLCGHPD-GXSJLCMTSA-N	249.123	-0.426	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@H](CN)C1	2223679499	QJLUPCJADYUTOL-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
CCc1nc(NC(=O)C#CB(O)O)sc1C	2243349502	MLMDEVTWTHNUDT-UHFFFAOYSA-N	238.077	-0.032	50	10	BBGE	
C=C=CCCNC(=O)c1ccsc1B(O)O	2243358279	FBQUAZFYEGTEKY-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CC[C@H]2C[C@H]21	2243358333	FNSSXLAVCQWQLV-POYBYMJQSA-N	237.089	-0.338	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCC[C@H]1F	2243362708	VIIFYDLSMNPVDX-BDAKNGLRSA-N	227.044	-0.259	50	10	BBGE	
CCN1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363373	FVUGVVJMBKXTIT-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CC(C)CN(CCO)C(=O)C1(B(O)O)CC1	2243363698	KSUSKUOHIRKZIR-UHFFFAOYSA-N	229.085	-0.530	50	10	BBGE	
C[C@H](N(C)C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)O	2243381721	IVABBPZMSFNUBH-FXQIFTODSA-N	229.085	-0.533	50	10	BBGE	
CCCN(CCN)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382534	PHBPIMLWHRXZPA-DTORHVGOSA-N	228.101	-0.563	50	10	BBGE	
CC1(N)CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243392492	UTVVYDJUZZMXPN-WXFYJTIXSA-N	226.085	-0.765	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)s1	2243407504	UCTBXCRTZVNTAE-BQBZGAKWSA-N	239.105	-0.044	50	10	BBGE	
CCN(O)C(=O)c1cccc(B(O)O)c1Cl	2243411747	ZLMSEECSQKDBIU-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CNCCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243415403	UFKWVYNJIKRCEM-DTORHVGOSA-N	228.101	-0.693	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1cocc1B(O)O	2244222538	NOQVVABYHUOHKK-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCN(C)C(=O)C#CB(O)O	2247744177	OSFOKBMKSQXQNA-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
C=CCNC(=O)c1ccc(OC)c(B(O)O)c1	2247756382	GTYRLISCKYGSDX-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
O=C(N1CC[C@H]2CCN[C@@H]2C1)C1(B(O)O)CC1	2247758641	WAJWSQCWXVDWLD-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@H]1COC2(CCC2)C1)C1(B(O)O)CC1	2247758676	VZHLBFIOBZUAGD-MRVPVSSYSA-N	239.080	-0.179	50	10	BBGE	
C=C(CC)CNC(=O)c1cncc(B(O)O)c1	2247760325	GKMJVVFYKYFOMN-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC(F)C2)c1	2247760698	MDSSJMSKARRAMG-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CCC1	2247784303	SGBJECWXAFAZHP-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
C[C@@]1(CCO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797280	IAKWYRDOHNRRSC-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
CN1CCCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247797369	ITEMGMJJWQGGJM-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247806142	MFTVXFDGRKEVFM-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
CCCC=CCNC(=O)c1cc(B(O)O)c[nH]1	2247849626	CHYWMFKGDIHUJU-UHFFFAOYSA-N	236.080	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COCC[C@@H]21	2247855308	QFLMZCDNMHXKAA-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCC(F)F	2247858798	HPIYETJZGOZPRL-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1coc(B(O)O)c1	2247870811	QGOSRKVXYNYWJR-YUMQZZPRSA-N	235.048	-0.655	50	10	BBGE	
O=C(N[C@]1(CF)CCNC1)[C@H]1C[C@H](B(O)O)C1	2247893967	ATGBRWVQRAWKIY-NRPADANISA-N	244.075	-0.943	50	10	BBGE	
C=C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247903790	MTTXYPINCKWZMY-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)C(F)F	2248401560	KNBHVJCAOPDGAU-UHFFFAOYSA-N	244.990	-0.421	50	10	BBGE	
C[C@@H](CO)C(=O)Nc1ccc(F)cc1B(O)O	2248442333	RSGMJIPBYIUWIL-LURJTMIESA-N	241.027	-0.928	50	10	BBGE	
O=C(O)CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2248573194	AOKSDPPPVWBWNG-HTQZYQBOSA-N	241.052	-0.685	50	10	BBGE	
NNC(=O)c1coc(CO[C@@H]2C=CCOC2)n1	2249282729	YOBZUYCNGBNMHY-SSDOTTSWSA-N	239.231	-0.250	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC(F)(F)C1	2249431183	NYQFBPLKXODDGR-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2249613943	OHSPKHITZTVVNV-XKNYDFJKSA-N	239.319	-0.685	50	10	BBGE	
CC(C)(CN1CCn2cncc2C1)C(=O)NN	2249742832	FBLUZTIJCZGEKH-UHFFFAOYSA-N	237.307	-0.285	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ccncc1B(O)O	2255453262	PMGSUDPOHPNUBU-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CCCC[C@@H]21	2255465074	FKSSSOCPCMZRNB-KWQFWETISA-N	248.091	-0.291	50	10	BBGE	
C[C@@H](NC(=O)c1ncc(B(O)O)cn1)C1CCC1	2255470301	BGWFERFNLFXIQM-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1ncccc1B(O)O	2255519649	ZZOHJVBIZQJCHX-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
CC#CCNC(=O)c1ccc(B(O)O)cc1OC	2255728761	LGQHTTKIKSVCTE-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2258137663	ZPOISNPMPFAXBH-LLVKDONJSA-N	247.059	-0.557	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N[C@@H]1C=CCC1	2258668589	RNSWOIRCIFTZTO-MRVPVSSYSA-N	247.063	-0.399	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)c(C)nn1	2258959036	LCOGTHSCLRJGFZ-UHFFFAOYSA-N	247.063	-0.771	50	10	BBGE	
Cc1nccn1[C@H](C)C(=O)NCCC#CB(O)O	2258962421	GWQVKABVSGCNRF-SECBINFHSA-N	249.079	-0.726	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@@]2(CO)C1	2298371047	WYUNAAXAUWIIPE-CDLYGTGVSA-N	239.080	-0.920	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1B(O)O	2298377013	BAFCTAKKWWAOTR-HOTMZDKISA-N	238.096	-0.670	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298463467	DGLGGSIOJQUKEM-UFYGHTOTSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](O)CCCN(C)c1ncccc1B(O)O	2299587816	VQPZUDWHPXQYJA-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(B(O)O)c(F)c1	2301605792	PYQNCIKFOJGDCL-SECBINFHSA-N	241.027	-0.785	50	10	BBGE	
C/C(C(=O)O)=C(\C)C(=O)N1CC[C@H](B(O)O)C1	2303112889	WIHUGAVURZITFJ-UAPHAKCISA-N	241.052	-0.517	50	10	BBGE	
Cn1cc(CCN2CC[C@@](C)(B(O)O)C2)cn1	2303123404	KPPNXUWUFNTZLF-LLVKDONJSA-N	237.112	-0.099	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1cc(B(O)O)c(F)cn1	2303855543	NGIQPABCYGEGBT-NKWVEPMBSA-N	242.059	-0.737	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c1B(O)O	2309539138	MDANDUHRDATGOO-JXUBOQSCSA-N	245.091	-0.691	50	10	BBGE	
OB(O)c1ccc(OC[C@@]23CC[C@@H](C2)NC3)nc1	2315137305	URFMCYMBMWFLIG-JQWIXIFHSA-N	248.091	-0.718	50	10	BBGE	
Cn1c(C(=O)NNC(N)=O)ccc1[N+](=O)[O-]	70044530	IYDWWQMNSOKAFU-UHFFFAOYSA-N	227.180	-0.754	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCCOC1	82545667	HNHLMNXMTKTOPQ-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H](CO)C1	88093836	QJNDYIZTOUWLAT-LURJTMIESA-N	229.685	-0.794	50	10	BBGE	
CO[C@H]1O[C@@H](CCl)[C@H](Cl)[C@@H](O)[C@H]1O	97975384	VPDVIMQPZYMQKN-TYDWOXHJSA-N	231.075	-0.074	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1C[C@@H]2CC[C@@H]1C2	106518812	MQXXPLNZHTZYSF-JQCXWYLXSA-N	225.292	-0.083	50	10	BBGE	
COCCOC(=O)NNC(=O)OCCOC	115326773	DILYKJLMSQIHJW-UHFFFAOYSA-N	236.224	-0.353	50	10	BBGE	
C[C@@H](CO)N(C)Cc1ccc(C(=O)NN)cn1	123717215	ZRBHCAALSQNAQE-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	125706867	AUEFVROQGYAQRH-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
CC(=O)N1CCNC[C@H]1C(=O)CCl	156816803	DONQPWTVZWHEEW-ZETCQYMHSA-N	204.657	-0.385	50	10	BBGE	
NNC(=O)CCCN1CCN2C(=O)CC[C@@H]2C1	168762384	GBBSCJBJHXQNCF-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)NCN=C=O	170294340	VERVTGVOSQIZGQ-ZETCQYMHSA-N	227.220	-0.373	50	10	BBGE	
O=C(Cn1cn[nH]c1=O)NNc1ccccn1	189019293	VOIPCHUWMCRCDP-UHFFFAOYSA-N	234.219	-0.890	50	10	BBGE	
CCC[C@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	211886583	FTJMCSNSKZGHMV-RXMQYKEDSA-N	228.212	-0.483	50	10	BBGE	
CN(CC(F)F)C[C@H]1CC[C@@H](C(=O)NN)O1	220894248	SKBCURCCJXKNCJ-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H](C(N)=O)C1	223063782	KJEHUZHXJHRFOF-RKDXNWHRSA-N	242.323	-0.802	50	10	BBGE	
COC[C@@H](SC[C@@H](C)CN)C(=O)NN	232421702	FLAROAFEOWVSMO-NKWVEPMBSA-N	221.326	-0.681	50	10	BBGE	
C[C@@H]1CN(C)CCN1Cc1cccc(B(O)O)c1	235489813	QXQBJSYVHZPWLW-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
NNC(=O)[C@H](N)Cc1ccc2c(c1)OCO2	258932802	BCBFTVSSIPIOND-SSDOTTSWSA-N	223.232	-0.725	50	10	BBGE	
CO[C@H]1CCN(C(=O)C(=O)NN)[C@H](C)C1	300967071	WIPWZXNWEBVTSZ-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CC(C)[S@@](=O)c1ccc(B(O)O)cc1	307019311	YBWHHQBCMSXADN-CQSZACIVSA-N	212.079	-0.118	50	10	BBGE	
CSCCNC(=O)NNC(N)=S	308144792	JFCLILYDSWOZJQ-UHFFFAOYSA-N	208.312	-0.603	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1	387044555	VDRQKZDOXGUILI-VQVTYTSYSA-N	244.678	-0.408	50	10	BBGE	
CC[C@H](CO)N(C)[C@@H](C)CCC(=O)NN	393282880	HRMWSSYDRNUCRO-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CNC(=O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395826286	XEEHOSCHIRQSOD-QMMMGPOBSA-N	230.312	-0.931	50	10	BBGE	
C[C@@H](CN1CCCOC[C@H]1C)C(=O)NN	398906632	GCLZVUBIQPHJME-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(F)c(B(O)O)c1	404838186	YQQBMFPCSNMWRE-INIZCTEOSA-N	245.084	-0.011	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CCCCO1	404995188	GVGWCZIDKSQKDC-LLVKDONJSA-N	249.075	-0.126	50	10	BBGE	
Cn1cnc(C(=O)Nc2ccc(B(O)O)cc2)c1	405021631	FTCYAXGASHOWIC-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc2c1CCOC2	675073960	CLBPIPMORTVTSH-UHFFFAOYSA-N	236.032	-0.774	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)CCC(=O)NN	688148424	FENIFRYIHAWBPJ-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@]12COC[C@@H]1C2	689152955	FQIWPONAZFJBCS-UFBFGSQYSA-N	247.059	-0.659	50	10	BBGE	
N#CC1(O)CCN(CCCCC(N)=O)CC1	692089727	CUHNEGZROGHZQI-UHFFFAOYSA-N	225.292	-0.008	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@H](C)[C@@H](C)C(=O)NN	692095601	LSZPYMMUXHASBS-DJLDLDEBSA-N	229.324	-0.154	50	10	BBGE	
CN1CC[C@H](CN2CCC(O)(C#N)CC2)C1=O	692697760	BUYHAVOVOQEGIK-SNVBAGLBSA-N	237.303	-0.185	50	10	BBGE	
OB(O)c1ccn(Cc2ccncc2)n1	694307298	GLFKJIQOQGIMNN-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
OCC1(CO)CCN(C[C@@H](O)CCl)C1	694667958	VKAVOSQEFUNEQK-QMMMGPOBSA-N	223.700	-0.737	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)[C@@H](C)Cl)C(=O)NC	697903272	BFTGYHGDSUNKAV-PHDIDXHHSA-N	249.698	-0.036	50	10	BBGE	
COCCNCC(=O)N1CCC(O)(C#N)CC1	709354444	JYTPAHLFRFOLPK-UHFFFAOYSA-N	241.291	-0.901	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](C1)C2(F)F	715406919	ZAXISCWHQWMVHS-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
OB(O)c1ccc(F)cc1OCC[C@H]1CO1	718545580	YBBMURZVNRFKHW-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
C[C@H](Cl)C1CN(C(=O)c2nnn(C)n2)C1	719941895	JRUNCTAZSXITQX-YFKPBYRVSA-N	229.671	-0.091	50	10	BBGE	
CC(C)(O)[C@H]1CCN(CC(=O)NN)C1	721776342	ICYJNKHSLUJHCO-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](CCN)C1	723921353	BCWRLSSGPLASAI-WPRPVWTQSA-N	242.323	-0.930	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1=CC[N]S1	725711933	ZBPNOVCIZACLDH-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
COCCCNC(=O)NNC(=O)C1(OC)CC1	843775159	QLWDSGQQNDVXOC-UHFFFAOYSA-N	245.279	-0.468	50	10	BBGE	
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NN	844193099	JUEGLGWDHHERFL-VIFPVBQESA-N	236.275	-0.174	50	10	BBGE	
CO[C@H](C(=O)NNc1nnc(C)n1C)C1CC1	856047836	GDJTXERPGVGUOO-QMMMGPOBSA-N	239.279	-0.008	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNc1nnc(C)n1C	856055602	PTXVKQVDAJFAAJ-JTQLQIEISA-N	241.295	-0.025	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@]1(N)CC1(F)F	870925066	CKSGFCSCTRAEBL-ZETCQYMHSA-N	236.222	-0.585	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)C2CC2)c1O	1135309026	RSXTYGHPRCALGJ-UHFFFAOYSA-N	224.220	-0.405	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ccc(F)cn2)CO1	1177080761	SSNXMLSNTHMJDP-ZCFIWIBFSA-N	240.194	-0.228	50	10	BBGE	
C/C(=C/C(=O)NNC(=O)CO)c1ccco1	1183078050	CVRJRXYGLKZCIA-ALCCZGGFSA-N	224.216	-0.177	50	10	BBGE	
COC(=O)C1CN(S(=O)(=O)CCCl)C1	1253456064	HKCGCBDLNZUIKO-UHFFFAOYSA-N	241.696	-0.340	50	10	BBGE	
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NN(C)C(N)=O	1295200089	DEQKTUKSYBTRBA-NKWVEPMBSA-N	243.263	-0.383	50	10	BBGE	
CN(NC(=O)/C=C/[C@@H]1CCOC1)C(N)=O	1466167868	NYKQAZQJUBCESX-TYWZFMJISA-N	213.237	-0.379	50	10	BBGE	
COCCN(C)NC(=O)[C@H](O)c1cnn(C)c1	1556571488	OABLPHXZSDATPC-SECBINFHSA-N	242.279	-0.937	50	10	BBGE	
COCCONC(=O)NNC(=O)[C@H]1CCCO1	1564683624	LFETZJCAIBBAGZ-SSDOTTSWSA-N	247.251	-0.926	50	10	BBGE	
N#CC1(C(=O)NNC(=O)CO)CCSCC1	1611095049	YLBUFQYEMAUQGN-UHFFFAOYSA-N	243.288	-0.837	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cc1[nH]cnc1C	1623762517	PJQIYKVQQGSALM-UHFFFAOYSA-N	239.279	-0.047	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)NC(C)C	1631557759	PLHVDSLKLZBGNB-UHFFFAOYSA-N	228.296	-0.157	50	10	BBGE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)N	1880022877	HMVALDPDWBHZRM-ZETCQYMHSA-N	247.295	-0.142	50	10	BBGE	
Cn1nnnc1CCNC(=O)CBr	1881886106	DYCGYLXHQFSHKZ-UHFFFAOYSA-N	248.084	-0.736	50	10	BBGE	
NCCSCCC(F)(F)C(=O)NN	1882117381	GZXTXDNYSAXQFL-UHFFFAOYSA-N	213.253	-0.306	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)C2COC2)C1	1884429168	QDJKQUMCSQPTIO-YUMQZZPRSA-N	218.684	-0.330	50	10	BBGE	
CCN(CC)CCO[C@H](C)C(=O)NN	1884749202	GYBNOTKUQUKOJR-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
COC(=O)c1c(C)c(N)c(C)c(B(O)O)c1C	1887510358	PRIBMERAMOYEHH-UHFFFAOYSA-N	237.064	-0.340	50	10	BBGE	
COCCNC(=O)CNC[C@@H]1C[C@@H]1Cl	1893097396	BJPYRSOWKKKLEE-YUMQZZPRSA-N	220.700	-0.034	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	1896272289	QQPJHXQIRDLGFA-KATARQTJSA-N	224.308	-0.999	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCOC[C@H]1CO	1897226422	IVMWQEPEIZPGPH-FLPBZWPXSA-N	247.678	-0.178	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1[C@@H](C)CC(=O)NN	1899742840	AOAXSLVGKPYOEZ-AEJSXWLSSA-N	227.308	-0.234	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@@H](F)C1	1900252679	VTJDZGKIVPZFDK-LURJTMIESA-N	241.213	-0.718	50	10	BBGE	
N#CC1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	1900500833	DGEKBMTVNFSZNF-ZJUUUORDSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCC[C@H]1C[C@@H]1C(=O)NN	1900535807	WVROIYQISXNKFB-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1C[C@H](C)C1Oc1ncc(B(O)O)cn1	1901081004	GHGFSHWNIWXAQV-BQBZGAKWSA-N	222.053	-0.420	50	10	BBGE	
C[C@H]1CN[C@H]1C(=O)NN(C)S(=O)(=O)C1CC1	1901343030	UMDJCBYEMPZENA-POYBYMJQSA-N	247.320	-0.951	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCS(C)(=O)=O)C1	1902518770	XKFOPXWZCRFHET-VIFPVBQESA-N	249.141	-0.640	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN(CCO)C2CC2)C1	1908363530	DFCZQKXQLQPDJI-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CCC[C@H]1CN(C)C(=O)C(=O)NN	1909623189	LGWADRSHMFUKCT-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
COC[C@@H](N=S1(=O)CCCC1)C(=O)NN	1913893266	HJZBLVIUVMCLPE-SSDOTTSWSA-N	235.309	-0.747	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C[C@H]1CO	1914019827	IUXSDAJSFOMWHC-VIFPVBQESA-N	241.335	-0.293	50	10	BBGE	
CC(C)(CN1CC[C@](F)(CO)C1)C(=O)NN	1917087981	RDBVYLRROOPRDW-SNVBAGLBSA-N	233.287	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(F)(F)C1	1917281909	PZNKFBZZXSIYIH-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC(=O)CCCCl)C1	1928757951	KPYNTQVCKADZMM-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
C[C@H](C(=O)NNCCO)[C@@H]1CCCO1	1929835707	WTWDWUUSYGYGAM-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
O=C(NNCCO)c1coc(C(F)F)n1	1932902152	RVUVDEDPYGRTQC-UHFFFAOYSA-N	221.163	-0.161	50	10	BBGE	
Cn1nnc(CNC[C@H]2COC[C@H]2Cl)n1	1933392959	SKIDJFRDPBCLGQ-NKWVEPMBSA-N	231.687	-0.447	50	10	BBGE	
C[C@]1(CO)CCCN1CC(F)(F)C(=O)NN	1935940888	GDLYEAKJOMXXRG-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
CC1(C)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936082680	FVSGINZPOKDCBW-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)CC1(C)C	1936625251	FQIZVDLBLOZKIM-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@]1(CO)CCCN1CC1(C(=O)NN)CC1	1938234941	ZXPWCWKNNBUPHF-JTQLQIEISA-N	227.308	-0.397	50	10	BBGE	
C[C@H]1COCCN(CC2(C(=O)NN)CC2)C1	1938246051	DERUEFWKONKNPA-SECBINFHSA-N	227.308	-0.275	50	10	BBGE	
CO[C@@H]1CN(C)C[C@H]1NC(=O)NC(=O)CCl	1938601273	RSJHMEPIQKZGIK-RNFRBKRXSA-N	249.698	-0.620	50	10	BBGE	
CN(Cc1sccc1B(O)O)C(=O)C1CC1	1939887177	RVDJPSHOFRMPSJ-UHFFFAOYSA-N	239.105	-0.204	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081274	AQFMVXHLWPGOBM-ZRUFSTJUSA-N	241.335	-0.437	50	10	BBGE	
CCC(O)(CC)CN(C)CCOCC(=O)NN	1941773240	VCCBNUWNFVJFSQ-UHFFFAOYSA-N	247.339	-0.524	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(CCOCC(=O)NN)C1	1941773252	VHNHDOIIFSZVHG-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1N(C)C	1945882633	KUYDAXVGXIYYHS-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
CN=c1ncnc(N2CCC(O)(C#N)CC2)[nH]1	1945998674	CUWUBOZSJSIPJV-UHFFFAOYSA-N	234.263	-0.810	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1COC1	1954849994	SWDXCKQCUCSWDC-SCSAIBSYSA-N	206.629	-0.162	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955249144	OKEUMRQMLRUWQN-VQVTYTSYSA-N	241.696	-0.796	50	10	BBGE	
COC1(CCl)CN(S(=O)(=O)CC#N)C1	1956375800	VNFQYISLBOUALO-UHFFFAOYSA-N	238.696	-0.221	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@H](O)CCl)C1	1956437956	KZWHDLSLZYTBBK-YIZRAAEISA-N	223.700	-0.332	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1C(=O)NN	1956734698	QSZBUEZWCJGHKO-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1CCCNC1=O	1956861790	KNZISCORYVGQIC-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
COCCC1(N2CC(=O)OC(=O)C2)CC1	1957972030	DAHJHFOAEJCIBM-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
CN(C)C1(C)CN(CCCC(=O)NN)C1	1958749626	PMDIGTALUBMJBG-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
COC(=O)[C@@]1(C[C@H](O)CCl)CNCCO1	1960143481	MYUKDEUXMQJGMB-IONNQARKSA-N	237.683	-0.492	50	10	BBGE	
NNC(=O)CN1CCCO[C@H]2CCC[C@H]21	1961267687	FHRICMYSBITHBG-BDAKNGLRSA-N	213.281	-0.380	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CCO2)C1	1961518090	CEPYUPNBCYPWHE-QMMMGPOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCO[C@@H]2C1)C(=O)NN	1961582469	GQMFZLGKQAWECR-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
CCN(OC)c1ncc(B(O)O)cc1F	1961717492	BCLAZDJKNLDAPV-UHFFFAOYSA-N	214.005	-0.712	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@]1(C)CC1(F)F	1961739665	CUEILRKDFLQCMG-FBCQKBJTSA-N	221.207	-0.474	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ncncc1B(O)O	1961778104	LXAPLTJFJKWLDG-HTRCEHHLSA-N	207.042	-0.999	50	10	BBGE	
CCO[C@H]1CC[C@@H](C(=O)NCB(O)O)C1	1962367407	NBJQFLXZADXZBW-SFYZADRCSA-N	215.058	-0.680	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H]1CCS(=O)(=O)C1	1974785687	OLSLLSALKPGXCX-JGVFFNPUSA-N	249.719	-0.222	50	10	BBGE	
O=S1(=O)C[C@H](Nc2nccnn2)[C@@H](Cl)C1	1974979736	QIKAZVITNRLYHG-WDSKDSINSA-N	248.695	-0.312	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2C=C[C@H]1C2	1976842556	VPPWAEWJWYBFLK-WDSKDSINSA-N	231.202	-0.602	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)c1	1981072768	NFBYXMXQDPDZEH-BDAKNGLRSA-N	221.260	-0.217	50	10	BBGE	
C[C@H]1CC(=O)N(CC(F)(F)C(=O)NN)[C@H]1C	1981162661	HXXJVXNIGIPOBS-WDSKDSINSA-N	235.234	-0.132	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCSC1	1981423410	DEBBGXGARSALQO-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](C)[C@@H]2C)n1	1981446756	CNGOSOPLOAPRKN-CBAPKCEASA-N	220.081	-0.086	50	10	BBGE	
C[C@H]1OCC[C@H]1Sc1ncncc1B(O)O	1981454200	FRCBVOLXUDRINB-HTRCEHHLSA-N	240.093	-0.574	50	10	BBGE	
CC(C)OCCN(C)c1nc(B(O)O)cs1	1981472378	QALPQSDDTLZUSW-UHFFFAOYSA-N	244.125	-0.316	50	10	BBGE	
C[C@H](CN(C)[C@H](CCO)C(F)F)C(=O)NN	1984133266	ZZVABBKVXWPGGD-RNFRBKRXSA-N	239.266	-0.440	50	10	BBGE	
CC1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC(O)C1	1985787828	JPYMFYAXURGLPR-XTOKUROSSA-N	225.244	-0.184	50	10	BBGE	
CCN(CCF)c1ncc(C)cc1B(O)O	1986591611	KATNQXAEEIRACI-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
N#CC1=CCN(c2cn[nH]c(=NN)c2)CC1	1987553741	PUZWQWPJRXKKAM-UHFFFAOYSA-N	216.248	-0.156	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]1CF	1988001895	PCMYUAIOKSRJFS-ZETCQYMHSA-N	228.007	-0.551	50	10	BBGE	
Cn1nnnc1CN[C@H]1CCOC[C@H]1CCl	1989875187	LNSMOJMKRGOLKS-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2C=CC[C@H]1CC2	1990775251	TVFICNYHKDEUFK-UWVGGRQHSA-N	223.276	-0.053	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnns1	1990775495	WHIZPFDOQSGONK-UHFFFAOYSA-N	243.292	-0.863	50	10	BBGE	
Cc1ccncc1C(=O)NCC=CB(O)O	1991326894	LPUPLFSEEGJPHG-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCOC[C@@H]1CO	1991714587	IVMWQEPEIZPGPH-HIQWKFPQSA-N	247.678	-0.178	50	10	BBGE	
O=C(NCC#CB(O)O)C12CCC(CC1)C2	1992153911	SWCARRKNEYFTCE-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CN(CC(=O)NN)Cc1ccc2nncn2c1	1997402249	LLSIBSNFDWVHJH-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
COCC[C@H](COC)N(C)CCCC(=O)NN	2001424106	AMUVIDAXXQXDIS-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CCCCN(c1ncncc1B(O)O)C1CC1	2004921263	UBCVYOIANRDZIG-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)c1ccncc1B(O)O	2004930752	WHDPDUQWCSQSGX-KWQFWETISA-N	236.080	-0.768	50	10	BBGE	
CCOCCCN(C)c1ccncc1B(O)O	2004939924	RZHXHWLZDVJYLQ-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCCOC1	2004953345	WJOZJLSWVPDWIK-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
CCN(CC1CC1)c1ncc(B(O)O)c(C)n1	2004974961	RSTLQRAYYDZMFO-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CCOc1cnn(-c2ccc(B(O)O)cn2)c1	2005004409	GBZQXOBAZAXWQM-UHFFFAOYSA-N	233.036	-0.654	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCC(O)CC2)C1	2010500519	IUZMTINJAXXYCZ-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC(O)C[C@@H]3C2)CC1	2012905039	YAPOKHUJMMDHHJ-RKDXNWHRSA-N	239.319	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N(C)CCOC)C1	2017464462	ARDQEHKLBVCVPZ-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
CO[C@H]1CCC[C@H](C(=O)NCC=CB(O)O)C1	2020063622	YDHNQDBOGQIMST-UWVGGRQHSA-N	241.096	-0.124	50	10	BBGE	
C[C@H](CC(=O)NN)N1Cc2ncnc(O)c2C1	2025567647	JKAPZBUOQTZGBG-ZCFIWIBFSA-N	237.263	-0.734	50	10	BBGE	
CC[C@@H]1CCCCN1C(=O)NCC#CB(O)O	2026189071	RUVJNBANXNRQJA-SNVBAGLBSA-N	238.096	-0.024	50	10	BBGE	
COC[C@H](O[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)C(=O)NN	2026821068	RZHYAJTWAONAGV-GYIKDEIJSA-N	238.287	-0.482	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1ccncc1B(O)O)C2	2026850127	VUFSROMAWCOLPL-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3C[C@H](N)C[C@H]32)CC1	2050075022	QFMZYJNFJYIMGA-SGXNHWHWSA-N	249.314	-0.153	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H]2CC[C@H]3N)CC1	2057692841	JQRMAIGNFQGSSK-GIPNMCIBSA-N	249.314	-0.009	50	10	BBGE	
CCOc1cc(C=O)c(OC)c(B(O)O)c1	2060130938	VABYXSCSIIFAEW-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C2C[C@@H]3C1[C@@H]3C2	2071017015	ADDPLKDUIBKPNL-ZRFWENAYSA-N	246.075	-0.563	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1COc2ccccc21	2077492026	HUVMTHZKWJUOKP-JTQLQIEISA-N	245.043	-0.706	50	10	BBGE	
O=C(NCc1cnoc1)c1ccccc1B(O)O	2079009975	WAGUDEIZBNXKJL-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CCO[C@H](C)CNc1ncccc1B(O)O	2212601674	RLBXQUDPMIZSSL-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
CC(C)[C@@H](C)CN=c1ncc(B(O)O)c[nH]1	2212604800	ZALKFSOQFLRYLV-QMMMGPOBSA-N	223.085	-0.718	50	10	BBGE	
CC[C@@](C)(N)COc1cc(B(O)O)ccn1	2212608447	JPOLPYYWNLLFPX-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CC(C)CN(CCN)c1ncccc1B(O)O	2217177467	JLAKVTZRAFDGFT-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
CCCOCCNc1nccc(B(O)O)c1F	2217178722	AOGOKWKBGKZAFR-UHFFFAOYSA-N	242.059	-0.261	50	10	BBGE	
CC(C)[C@H](CN)Nc1nccc(B(O)O)c1F	2217181919	XBNYSYKUVWFLAK-QMMMGPOBSA-N	241.075	-0.704	50	10	BBGE	
C#CCCN(c1ccc(B(O)O)cn1)C1CC1	2217184079	QHVZBKAOQSDHGT-UHFFFAOYSA-N	230.076	-0.247	50	10	BBGE	
N[C@@H](COc1ccc(B(O)O)cn1)C1CCC1	2217185286	UXQQHAYVYCNMPS-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
N[C@@H]1CC[C@@H]1COc1nccc(B(O)O)c1F	2217193146	LCYACSOCYVSCPX-HTRCEHHLSA-N	240.043	-0.983	50	10	BBGE	
C[C@@]1(CCO)CCN1c1ncccc1B(O)O	2217194666	BRZUOGRENRTRPM-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCOC[C@@H]2F)nc1	2217199540	DDSWNWIZMPNTDA-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncccc2B(O)O)CCN1	2217202893	MSKJXUWEPIFLGR-BDAKNGLRSA-N	235.096	-0.686	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CCC[C@H]1O	2220071405	HNSPCFXFAJOCNT-CHWSQXEVSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@H]2CN[C@@H](C2)C1	2223645747	YWHOORPAPBVDIR-GUBZILKMSA-N	248.091	-0.719	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1CCN	2223667100	NFYZTTAXZWBWGS-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@@H](O)[C@H]1CC2	2223668092	UZYVQFUQWHQBOA-FBIMIBRVSA-N	248.091	-0.747	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@]23CCC[C@H]2C3)[nH]c1	2223674532	QHKDSMOPYDPTGZ-JOYOIKCWSA-N	247.107	-0.430	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)[C@H](O)CC1	2241586958	GOGDQSPQAVQLAM-XHNCKOQMSA-N	218.684	-0.065	50	10	BBGE	
CC1(C)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243357641	ZKRDLIYZRCKOFW-UHFFFAOYSA-N	222.053	-0.824	50	10	BBGE	
CCOC(=O)[C@H](C)NC(=O)C1(B(O)O)CC1	2243365350	LGVHXBIZGMWGBS-LURJTMIESA-N	229.041	-0.939	50	10	BBGE	
O=C(NC1CC2(COC2)C1)[C@@H]1C[C@@H]1B(O)O	2243392989	ZDNCANUMGJGELR-SFYZADRCSA-N	225.053	-0.856	50	10	BBGE	
CCC[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396740	QCNFJMNWEXHTFV-IWSPIJDZSA-N	229.085	-0.483	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)[C@H]1C[C@H]1B(O)O	2243396767	QNPCQFLSRGCPCX-JGVFFNPUSA-N	229.085	-0.531	50	10	BBGE	
CNCCCN(C)C(=O)C1CC(B(O)O)C1	2243397004	UFKWVYNJIKRCEM-UHFFFAOYSA-N	228.101	-0.693	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1(C)CC1	2243399821	QWFVTDBLZYSGEP-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CCCNC(=O)c1nc(C)ccc1B(O)O	2243408156	IEXIHCGUPPHDCJ-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
C=CC(C)(C)NC(=O)c1csnc1B(O)O	2243411877	BUAJDBKOEUYMEU-UHFFFAOYSA-N	240.093	-0.483	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)[C@@H]1C[C@@H]1B(O)O	2243420013	KSQSSSXHDCERKM-HLTSFMKQSA-N	226.085	-0.892	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C(F)F	2243678951	QGPLURLJRGOLBG-UHFFFAOYSA-N	228.991	-0.122	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@H]1C(=O)NN	2243989087	PVEOUTHCPFGGNL-NXEZZACHSA-N	227.308	-0.419	50	10	BBGE	
CCCCN(C)C(=O)c1cc(B(O)O)co1	2244206534	XXLPLJUYEQNTFB-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
OB(O)c1cc(F)cnc1SCC1COC1	2244517203	VFXLVYSWZVQBNR-UHFFFAOYSA-N	243.068	-0.361	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)c(Cl)cn1)C(=O)O	2245913519	SUSGCVMCYPKINX-SCSAIBSYSA-N	244.443	-0.700	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2COC(=O)C2)[nH]1	2246261260	HIKWYMQPDLNIRW-SCSAIBSYSA-N	243.654	-0.828	50	10	BBGE	
CC1(CONC(=O)c2coc(B(O)O)c2)CC1	2247722686	NEMBZCNPYMJFKK-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1O)C1(B(O)O)CCC1	2247735668	NPZRERPRYLNVKG-DTWKUNHWSA-N	241.096	-0.197	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2coc(B(O)O)c2)[C@@H]1C	2247736018	RKZMSDXYCAHCGD-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
CC[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247744081	NFFQSCZHUVKNKR-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
C=CCCCCNC(=O)c1cc(B(O)O)c[nH]1	2247746690	CCHZFTGPDYRTLA-UHFFFAOYSA-N	236.080	-0.219	50	10	BBGE	
CC(C)N1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247750009	CTRHJVWOIYOSID-SECBINFHSA-N	240.112	-0.408	50	10	BBGE	
N[C@@H]1[C@H]2CC[C@H]1N(C(=O)C1(B(O)O)CCC1)C2	2247754698	HILCFYPAJYQPKX-DJLDLDEBSA-N	238.096	-0.668	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1occc1B(O)O	2247758240	UOOPKOYKNBROSQ-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(C)sc1B(O)O	2247788204	AYSBLUBVPQYIPG-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
CO[C@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247788751	KMFGIEZYPXDZPA-SSDOTTSWSA-N	241.052	-0.967	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CC[C@H](C1)O2	2247790015	DYKAITGWGZBYDN-HKBCETJISA-N	239.080	-0.371	50	10	BBGE	
N[C@H]1[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247790870	KDKNOIGZLVRQID-OEZYJKACSA-N	238.096	-0.813	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1C(=O)C1CC(B(O)O)C1	2247800025	KMPCCLXRTIFHRK-NFTFJBJSSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOCC12CCC2	2247807384	HVICIIPHENUKGD-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CN(C1CC1)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808256	UFYKBTRKOAUHDI-UWVGGRQHSA-N	238.096	-0.846	50	10	BBGE	
CCC[C@H](C)CNC(=O)c1c[nH]nc1B(O)O	2247808676	LTEIOTJQHJQWQN-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C1CC1	2247809167	YAPICVHXORNGQY-SZEHBUNVSA-N	240.112	-0.552	50	10	BBGE	
CC1(C)[C@@H]2CC(CNC(=O)C#CB(O)O)C[C@H]21	2247842317	SFSINFDOEMLMNT-NXEZZACHSA-N	235.092	-0.200	50	10	BBGE	
CN(C[C@H]1C[C@@]12CC2(F)F)C(=O)C#CB(O)O	2247848772	QBSGDTFVZKBJRX-VXNVDRBHSA-N	243.018	-0.495	50	10	BBGE	
CN(C)CC1(NC(=O)C2(B(O)O)CC2)CCC1	2247854866	JNYUWAVOJXPMQV-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
O=C(N1C[C@H]2C(C(F)F)[C@@H]2C1)C1(B(O)O)CC1	2247872168	NWYPPDIGYAVOHL-PHDIDXHHSA-N	245.034	-0.037	50	10	BBGE	
CC1([C@@H](CO)NC(=O)C2(B(O)O)CCC2)CC1	2247878925	QHRGLLPSUCULDS-MRVPVSSYSA-N	241.096	-0.339	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896163	XSXMUOZVTDCDOW-KBIXCLLPSA-N	241.096	-0.341	50	10	BBGE	
CO[C@H](C1CC1)[C@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247898070	ACTDSKPXRAJGLY-NORCUCSASA-N	241.096	-0.221	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)on1	2247898942	IUUYJMSSXNGBGN-RKDXNWHRSA-N	238.052	-0.196	50	10	BBGE	
CCO[C@@H]1C=CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900401	WMBQXMJAPJWWNM-UTLUCORTSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247900448	WUUMUDBZUHNSEA-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1CN2CC[C@H]1C2)C1CC(B(O)O)C1	2247904575	QGXXFOAPALSLTN-AUXWQGHOSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)CC[C@@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248577727	OSMSQUXXIHXKRQ-GJMOJQLCSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1cc(B(O)O)co1	2249419866	MLTRRBLXKZACSK-VXNVDRBHSA-N	237.064	-0.170	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2249589811	GSCMCKICUWQOAP-RKYHVTRTSA-N	239.080	-0.921	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C(F)(F)C12CC2	2249998207	FRJSBMNWCJKZBL-SSDOTTSWSA-N	243.018	-0.447	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2255459076	AORKUDSPDLFBTG-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
O=C(NC[C@@H]1CC=CCC1)c1cc(B(O)O)c[nH]1	2255463921	OWWDVTDAPCNIJR-SECBINFHSA-N	248.091	-0.219	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1cccnn1	2255467847	SDFBVRYSPQRXNJ-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1occc1B(O)O	2255481185	DKGFNMCEHXCGMW-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2255571811	RZFQURAJTFCQLV-DTWKUNHWSA-N	249.079	-0.427	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@@H](C)C2)c1B(O)O	2255580328	ASUUESSELKNTRE-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
N#CCCCNC(=O)c1ccc(B(O)O)cc1O	2255935053	BHZFDNUAZYJNEK-UHFFFAOYSA-N	248.047	-0.894	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)CO1	2298376113	IRXMHOXVYIZHBU-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)CC1COC1	2300365524	ZUUGDMLGPMQWQT-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCOCCO1	2300376454	YMTLWRAWIPFVCC-VHSXEESVSA-N	243.307	-0.344	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H]1C[C@H]2N(C)C)C(=O)NN	2302403494	MALTVUUIOAPDAN-XWLWVQCSSA-N	240.351	-0.363	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1ccc(B(O)O)cc1C#N	2317162999	NHPDZCFLHPSHID-BXKDBHETSA-N	246.075	-0.315	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@H]2C2CC2)[nH]c1	2319644879	WFPANWPFLXHLHL-KOLCDFICSA-N	247.107	-0.574	50	10	BBGE	
CN(CC(=O)Cl)[C@H]1CCS(=O)(=O)C1	32021501	BBGCRQYZAXNJHJ-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468762	PUXHONAHSXCLBC-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
COC(=O)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	82472457	ZQMNQUPDUHVVJL-BQBZGAKWSA-N	248.304	-0.570	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C(C)(C)C1	82485354	AQBUSGCKEPQBMA-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
COC(=O)[C@@H](C)NS(=O)(=O)CCl	82513102	DOIKSYVHSVBNAZ-SCSAIBSYSA-N	215.658	-0.336	50	10	BBGE	
CC1CC(=O)N(CC(C)(C)C(=O)NN)C(=O)C1	93728341	VQEWURWBMPTRGQ-UHFFFAOYSA-N	241.291	-0.212	50	10	BBGE	
Cn1cc(OCC(N)=O)c(=O)cc1CCl	108236606	RDUVWARPGWFLNU-UHFFFAOYSA-N	230.651	-0.012	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	110603384	INQOEHWRTFTIKY-HRDYMLBCSA-N	241.291	-0.608	50	10	BBGE	
COCCN(CCO)[C@@H](C)CCC(=O)NN	124259030	BKEAUGLXNNELLL-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
C[C@@H](CO)N(C)CC(=O)NNC(=O)C1CCC1	131890889	OPHFWSRYBYHCSQ-QMMMGPOBSA-N	243.307	-0.754	50	10	BBGE	
CC1(C)COCCN1Cc1ccc(B(O)O)cc1	199012227	NJCFBSGWDILENC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NC(=O)[C@@H]1CCN(C(=O)CBr)C1	236250615	WDFUDQQCCZTHRZ-RXMQYKEDSA-N	235.081	-0.285	50	10	BBGE	
NNC(=O)CNc1ccccc1C(=O)O	238657779	JQANZYNLZZOSFT-UHFFFAOYSA-N	209.205	-0.213	50	10	BBGE	
N#C[C@@]1(O)CCN(C2CCS(=O)(=O)CC2)C1	260510634	RGZDFNOFGNOXLT-JTQLQIEISA-N	244.316	-0.476	50	10	BBGE	
C[C@H](O)CNc1nc(N)nc(CCl)n1	306702860	HYNUCORSSZEJKS-BYPYZUCNSA-N	217.660	-0.015	50	10	BBGE	
Nc1csc2c(B(O)O)ccc(O)c12	306743244	WXIXJVJKVWRVEW-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN(NC(=O)c1cnc(N)c(Cl)c1)C(N)=O	309256142	GKRDUXCSPYBYNE-UHFFFAOYSA-N	243.654	-0.028	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[S@](=O)C(C)(C)CC1	322033285	LFIUXSCTZXYMOZ-BCTVWOGZSA-N	247.364	-0.402	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)S(=O)(=O)C1	378964244	PDJJPFRHXGVNSL-MRVPVSSYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)S(=O)(=O)C1	378964263	PDJJPFRHXGVNSL-QMMMGPOBSA-N	249.336	-0.572	50	10	BBGE	
CN1CC[C@@H]2CN(CCCC(=O)NN)C[C@@H]2C1	380093441	VLBDBPNEBJXCLE-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]12CCOC2	380111694	RZMHJGQFQDEJFN-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
COC1(C)CN([C@@H](C)[C@H](C)C(=O)NN)C1	382595248	FIODFJLTPQUUTQ-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2[C@H](N3CCCC3)[C@H]2C1	395294666	ZRKIEOKHLLVLHQ-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1[N+](=O)[O-]	396062421	VVIYZEYABLDYAH-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
Nc1cc2sccc2c(B(O)O)c1C(=O)O	396246481	ONUZSUYXIXFJOC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CNC(=O)[C@H]1CCN([C@@H](C)CCC(=O)NN)C1	398499698	XELBOHRZKXEVST-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](CN1CCN(CCF)CC1)C(=O)NN	402760991	DVYGTBVNVXXQCG-SECBINFHSA-N	232.303	-0.801	50	10	BBGE	
CCNC(=O)NCc1cc(B(O)O)cs1	405077008	IITVJDRXJVHJKO-UHFFFAOYSA-N	228.082	-0.753	50	10	BBGE	
CNC(=O)Nc1ccc(C)c(B(O)O)c1	405133825	ICFJIKDOGJEPIJ-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1ncc(B(O)O)s1	575597594	ICNGZVBYVLHGMP-SSDLBLMSSA-N	240.093	-0.193	50	10	BBGE	
O=C(O)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CC1	585064991	AOUIESKQFFGEFO-SFYZADRCSA-N	241.052	-0.828	50	10	BBGE	
COC(=O)c1cc(B(O)O)sc1C	689664890	OFCJULSSINKQRE-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2cccn2)CC1	692115076	SAOPYILOCNTHNX-UHFFFAOYSA-N	234.259	-0.240	50	10	BBGE	
COC[C@@]1(C(=O)O)CCCN1C(=O)NN(C)C	692356967	BLGFBDUOJCNJQV-SNVBAGLBSA-N	245.279	-0.262	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(C#N)C1	693996984	CXEACQGZMPBJDN-WPRPVWTQSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	694433130	PUFQTQAKBXLVGV-GJMOJQLCSA-N	211.265	-0.471	50	10	BBGE	
Cn1cc(C[C@@H](Br)C(N)=O)nn1	701473923	STDFVPXOZMAZKW-RXMQYKEDSA-N	233.069	-0.394	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)nc(Cl)n1	702017096	HHYZRAGLQJJJES-UHFFFAOYSA-N	229.432	-0.820	50	10	BBGE	
CN([C@@H]1COC[C@@H]1Cl)S(C)(=O)=O	709089386	VXAYLMBWVIPNDZ-NTSWFWBYSA-N	213.686	-0.116	50	10	BBGE	
C[n+]1n[nH]cc1[C@@H]1N=C(C(=O)CCl)C=[S+]1	725552782	WSRYFAPYMBHIJM-MRVPVSSYSA-O	244.707	-0.620	50	10	BBGE	
O=C(NN=C1CCCOC1)[C@H]1COCCO1	745214419	YTRSUWYXXDHRAT-SECBINFHSA-N	228.248	-0.316	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	824627782	WSNRRTHQFYWURB-ZMONIFLSSA-N	213.237	-0.819	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)CCc1ccco1	824889719	UIIPLEYGJDWDGS-SECBINFHSA-N	238.243	-0.094	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(C)(C)F)nn1	855186776	IPKFCLGBIRGCIH-UHFFFAOYSA-N	229.215	-0.676	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)C[C@H](C)O	910139484	AHIHLFYYTVTRGR-VEVSIANRSA-N	202.254	-0.733	50	10	BBGE	
C[C@@](O)(CC(=O)NNc1nc[nH]n1)C1CC1	1183624325	MIXKVXLMJCCIOO-SECBINFHSA-N	225.252	-0.201	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1	1622865790	YDBQFAWSGPETPB-MRVPVSSYSA-N	219.049	-0.329	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1cc[nH]n1	1641298788	PHGOUPWCRHYLKV-UHFFFAOYSA-N	224.220	-0.627	50	10	BBGE	
O=S(=O)(CCOCCCl)NO	1880368187	GCXYDDBRBGZEDV-UHFFFAOYSA-N	203.647	-0.450	50	10	BBGE	
N=c1nc[nH]c(=NC[C@H]2C[C@@H]2Br)[nH]1	1883529523	NTLQXYDTMNFCGQ-UHNVWZDZSA-N	244.096	-0.099	50	10	BBGE	
Cc1c(N)c(C)c(B(O)O)c(C)c1CN	1887551759	QHLOSHHPJFTLAX-UHFFFAOYSA-N	208.070	-0.667	50	10	BBGE	
CCn1nnnc1CN(C)C(=O)CCl	1892654614	GOOVUSLKPBJGAS-UHFFFAOYSA-N	217.660	-0.110	50	10	BBGE	
NC[C@H](O)CCC(=O)NC[C@@H]1C[C@@H]1Cl	1893129434	VHROFMYUSMMSLZ-RNJXMRFFSA-N	220.700	-0.170	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)C=CC(=O)Cl	1893410624	LYIMDDJRYYTGCV-RXMQYKEDSA-N	218.640	-0.312	50	10	BBGE	
CN(CC1CNC1)C(=O)/C=C/C(=O)Cl	1893497215	DCDBENJAQACIOO-NSCUHMNNSA-N	216.668	-0.014	50	10	BBGE	
Cc1cc(=O)n([C@@H](C)CC(=O)NN)cn1	1893840540	QXCHYGMGTSBXHS-ZETCQYMHSA-N	210.237	-0.507	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc(Cl)cnc1=O	1893840557	XAFYJJKXYXVNBZ-RXMQYKEDSA-N	230.655	-0.162	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)/C=C\C(=O)O)C1	1902511402	HWFBIXVHCLRCQW-PKRMOACSSA-N	227.025	-0.907	50	10	BBGE	
CC[C@@](C)(CN1C[C@@](C)(O)CO1)C(=O)NN	1902710780	YXPKRSJWEONONA-VHSXEESVSA-N	231.296	-0.609	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1906938760	PTBSPSHZUDKIST-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](CO)[C@@H]3C2)CC1	1907274771	VAYZXPBIQHRXCN-IVZWLZJFSA-N	239.319	-0.683	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)[C@@H]1C[C@@H]1F	1907455070	CKTJISUFBDAVDT-SVRRBLITSA-N	241.002	-0.198	50	10	BBGE	
CN(C)CCOC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909804605	GVXHOJLLVLKXGO-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](Oc1cncc(C#N)c1)C(=O)NN	1910087876	RZACEVTVBYXFEF-LURJTMIESA-N	206.205	-0.290	50	10	BBGE	
CS(C)(=O)=NCCCCC(=O)NN	1913513926	ZHLASUHODOUJKT-UHFFFAOYSA-N	207.299	-0.126	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1ccoc1C(=O)NN	1914254901	KYHFDJZKXZGAFW-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(CO)CC1	1915531185	JNXFFNLPWXQUGZ-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CC1(C)C[C@H]1CCn1ccc(B(O)O)n1	1921433819	PVHPOKZPQVQOKD-MRVPVSSYSA-N	208.070	-0.001	50	10	BBGE	
COC(C)(C)COCCOCC(=O)NN	1928179135	MVLDDCZVLONAMC-UHFFFAOYSA-N	220.269	-0.566	50	10	BBGE	
CCON(CC)C[C@H]1C[C@@H]1C(=O)NN	1928666236	WXXXVMBZCGPJNR-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
CCc1c(CN(C)C(=O)NN)cnn1C	1932474800	XSQIKNHERHUIAB-UHFFFAOYSA-N	211.269	-0.002	50	10	BBGE	
NC(=O)NNC(=O)C12CCCN1CCC2	1934055069	RGXVOZGZXTYTON-UHFFFAOYSA-N	212.253	-0.686	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C(=O)N1C	1936021849	MBBQPIWAKPAYDQ-RXMQYKEDSA-N	236.222	-0.633	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCn2nccc2C1	1936149457	ODSWJDCWCYUABZ-QMMMGPOBSA-N	223.280	-0.533	50	10	BBGE	
COCC[C@@H]1CCCN(CC(=O)NN)C1=O	1938009792	ITVZJQHPFOFDOP-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCO)C1CCCC1	1941086150	HLWLAGMIINCDMV-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CCCN(CCOCC(=O)NN)[C@@H]1CO	1941771986	BXMAYCDNNZIMFD-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1CCOCC(=O)NN	1941773139	SSKZSSQKYYJTCB-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CCc1nn(C[C@@H](C)OC)c(CC)c1B(O)O	1944696500	AIQFRHVLPWNKNC-MRVPVSSYSA-N	240.112	-0.277	50	10	BBGE	
CCOCCNC(=O)N1CC[C@@H](B(O)O)C1	1951320410	KIKNBKYCKBYJNF-MRVPVSSYSA-N	230.073	-0.719	50	10	BBGE	
O=C(NCB(O)O)c1csc(C2CC2)n1	1951321894	LKBLLGOSRIOELK-UHFFFAOYSA-N	226.066	-0.238	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@H]1C(F)F	1954450574	HIPJVDBVVBFRGO-GBXIJSLDSA-N	209.221	-0.248	50	10	BBGE	
C[C@@H](Sc1ncncc1N)C(=O)NN	1955176626	HMKCZPJRBKCDNX-SCSAIBSYSA-N	213.266	-0.471	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]1C(F)(F)F	1955436387	FAYLWCMKMACPIX-DMTCNVIQSA-N	210.948	-0.687	50	10	BBGE	
Cn1nnnc1N1C[C@H](Cl)[C@@H]2COC[C@H]21	1958135997	ZOFCTKMNELZJKL-LYFYHCNISA-N	229.671	-0.348	50	10	BBGE	
CCCOC[C@@H]1CCN(CC(=O)NN)C1	1958318279	YNYXDHNBIHXITP-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
OB(O)c1ccc(Sc2ncco2)nc1	1961709741	BOEZMTKVILLQDP-UHFFFAOYSA-N	222.034	-0.099	50	10	BBGE	
CC1CN(c2ncc(B(O)O)cc2Cl)C1	1961718327	MZVLPPFHPMCUMR-UHFFFAOYSA-N	226.472	-0.129	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)C[C@@H]1C	1961718996	WMQOWUJTSCTYQI-KNVOCYPGSA-N	226.110	-0.085	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nnc1C	1972415607	WMAPWNIUXWAHLS-SECBINFHSA-N	249.079	-0.218	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C[C@@H](C)C(=O)NN)C1	1976442818	YSKJDGWQTHWFFS-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCCc2cn(C)nn2)C1	1978595727	PKHRPXFLYSBWKY-NXEZZACHSA-N	243.742	-0.131	50	10	BBGE	
CC[C@@H](O)[C@@H]1CCCCN1C(=O)C(=O)NN	1980856844	WEZSMUOUSXGZPO-JGVFFNPUSA-N	229.280	-0.872	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCO2)nc1	1981429458	DTCQZCDEFQDHCI-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)NC1(C(=O)O)COC1	1991437866	INOWVSVIGCTDFL-RITPCOANSA-N	248.666	-0.234	50	10	BBGE	
COCCO[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	1996761699	OVICAHLNTGXHEE-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1[C@H]2CC[C@H]12	1997529272	KUFVCHJXYXUOHN-YUMQZZPRSA-N	232.048	-0.644	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCn1cncn1	2003834392	CYNWPRPXQZBGQI-VIFPVBQESA-N	240.311	-0.776	50	10	BBGE	
CCO[C@H]1CCN(c2ncccc2B(O)O)C1	2004934461	FKWKJBRKUDCEKI-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CN(c1cccnc1)c1ncccc1B(O)O	2004936454	ZPDMUECJBORXFG-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
CCN(c1nc(C)nc(C)c1B(O)O)C1CC1	2005016196	MCRXRFPTXUBEKP-UHFFFAOYSA-N	235.096	-0.238	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1[C@@H]2CCO[C@H]21	2007594393	FBVFKGZKPOYWHA-VAPHQMJDSA-N	237.255	-0.062	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H](F)[C@@H](CO)C1	2008030220	FILKVYYTYQHKOY-ZJUUUORDSA-N	247.314	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cncnc1	2009048812	DORFILHOZDIMDL-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012894247	ALRKAIFYTLPELJ-VLEAKVRGSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC2(CC(O)C2)C1	2013331315	YQLBHRNISCFEJQ-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cnn(Cc2cnn(C3CC3)c2)c1	2013748546	IMHHTXBZASTGGM-UHFFFAOYSA-N	232.052	-0.857	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCC(=O)N(C)C1	2014820765	KJUCYXFPZVBZRT-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2[C@H]3COC[C@H]32)c1	2015129116	XBRPEJMZSDLKLH-ZSBIGDGJSA-N	234.060	-0.362	50	10	BBGE	
CC(C)[C@@]1(C)CCN1c1ncc(B(O)O)cn1	2016675677	OGHQJVKUCBIQBU-LLVKDONJSA-N	235.096	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCOC1	2019211080	IWQMLBNSVUBXMA-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]1[C@@H]2CO)C(=O)NN	2024086296	MCAUFMXGVVHIFJ-BBBLOLIVSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(B(O)O)cn2)CCO1	2025211765	KACNTLLQBNZYPB-WPRPVWTQSA-N	237.064	-0.292	50	10	BBGE	
COC[C@H](C)COc1ncc(B(O)O)c(C)n1	2026078680	GNCDWCJCRHGFCH-ZETCQYMHSA-N	240.068	-0.874	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1ncccc1B(O)O)C2	2026850903	ZIPNHXLVCURBNU-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ccc(N2CCC3(CCO3)CC2)nc1	2052472261	QGBIHEVMUNXEOZ-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CCN1CCN(c2ncccc2B(O)O)[C@@H](C)C1	2052498387	CPABTVMABJNEQJ-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
O=Cc1c(F)cc(Cl)cc1B(O)O	2060109911	FIEWECUDPROKAY-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
Cn1cc(NC(=O)c2ccccc2B(O)O)cn1	2079010405	ZNTGZGKVIFTNKR-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(Nc1cnccn1)c1cccc(B(O)O)c1	2079012522	VLGWNMZJMIDISH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2CCCC(=O)NN	2210374736	PTGHYPJBAPLJAH-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
CN1CC2(CCN2C[C@H]2C[C@H]2C(=O)NN)C1	2212300904	JDZMUQIREIMRRL-RKDXNWHRSA-N	224.308	-0.998	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3C2)CCOCC1	2216883914	PCBSYRPNIZULCT-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
Cc1cnc(O[C@@H](C)CN(C)C)cc1B(O)O	2217182794	GYBJMVCZZUDSTC-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
CN[C@@H](C)C(C)(C)Oc1ncccc1B(O)O	2217183758	KVJCPIXLQCBDLJ-QMMMGPOBSA-N	238.096	-0.473	50	10	BBGE	
CC(C)[C@@H](N)CCOc1ccc(B(O)O)cn1	2217193119	RVTWXMYQZLBCQS-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cncc(F)c1=O	2217265814	OSZSFSJQKYQFAY-BQBZGAKWSA-N	240.238	-0.602	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@@H]3CNC[C@@H]3C2)c1	2223661609	GIXPFUBWGLXUIJ-JZYVYDRUSA-N	248.091	-0.862	50	10	BBGE	
CS(C)(=O)=NC(=O)C1(B(O)O)CC1	2241472984	AXMPCWSOBWJAIW-UHFFFAOYSA-N	205.044	-0.752	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1C[C@@H]1F	2242806524	HMDBTCRQMAJHJI-APPZFPTMSA-N	225.028	-0.193	50	10	BBGE	
O=C(NCCn1cccc1)[C@@H]1C[C@@H]1B(O)O	2243391956	PRYPHNNTTWMRMN-BDAKNGLRSA-N	222.053	-0.533	50	10	BBGE	
C#CC[C@@H]1CCCCN1C(=O)C#CB(O)O	2243400827	IFYLZAUBPLSWMS-SNVBAGLBSA-N	219.049	-0.594	50	10	BBGE	
CC[C@]1(C)C[C@@H](NC(=O)C#CB(O)O)CO1	2243403651	AQFMIQUCGGKGPU-PSASIEDQSA-N	225.053	-0.924	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@]2(O)C[C@@H]2C1	2246743284	MUSYPSPFYNTGGP-APPZFPTMSA-N	249.261	-0.542	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC2(C1)CC2(F)F	2247740993	SJSHYYQRKRDKBI-UHFFFAOYSA-N	243.018	-0.447	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCOCC12CCC2	2247741691	DERQPVLMNLDKLN-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
C[C@@]1(NC(=O)c2occc2B(O)O)C=CCC1	2247750158	FOIKGAWMZIYIEL-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2247751901	FAOIUBVOUDTWFN-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)CN1	2247758090	SPGOJMDNJRVNHB-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
Cc1ccc(C(=O)NN2CCC2)cc1B(O)O	2247761541	WAIGGSRAZSXZMO-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2247774980	FUBILXZHFIXRLN-MRVPVSSYSA-N	236.080	-0.320	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCNC1	2247786639	DNEVJFVNNBCPNB-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786900	IHGZGKJRUCHYPC-BIIVOSGPSA-N	243.068	-0.693	50	10	BBGE	
COCC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247800588	QLJKCOWMRBHDJR-UWVGGRQHSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2cncnc2C1	2247808955	NJOGZKDUIHXPLC-YUMQZZPRSA-N	233.036	-0.818	50	10	BBGE	
Cc1cccc(NC(=O)C#CB(O)O)c1C#N	2247849219	XFLIWKWJBLBZPP-UHFFFAOYSA-N	228.016	-0.179	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247850877	AVQFIUHHBJUAKV-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247851490	ZEPRAEOYMNPXES-BHNWBGBOSA-N	236.080	-0.531	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C1(C)CC1	2247868573	VWDOZOHOLRMSGJ-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@]12CO[C@](CF)(C1)C2)C1(B(O)O)CC1	2247871981	KNAKBWLONUTREZ-KYZUINATSA-N	243.043	-0.619	50	10	BBGE	
NC[C@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2247873727	FQSZCTNZZBWKCR-SECBINFHSA-N	240.112	-0.419	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)CN(C)C	2247878943	QNBVUGWMGMGBKS-VIFPVBQESA-N	242.128	-0.303	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2247879581	VXPJFJMTOYYGPD-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894794	KWHAZHVFYLCGJF-CIUDSAMLSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247897000	MSMSFQFIFMDHLN-QEYWKRMJSA-N	240.112	-0.552	50	10	BBGE	
O=C(NCC[C@@H]1CCCCO1)[C@@H]1C[C@@H]1B(O)O	2247897679	WBSWTXPTTZERMU-AEJSXWLSSA-N	241.096	-0.075	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2247900235	VEXMPOHZHJDEPO-HBUZWVBJSA-N	235.092	-0.038	50	10	BBGE	
Cc1nn(C)c(B(O)O)c1C(=O)OC(C)(C)C	2247979781	PYHDSKUEQSIHRH-UHFFFAOYSA-N	240.068	-0.636	50	10	BBGE	
C[C@H](CNC(=O)c1cocc1B(O)O)C1CC1	2249415604	GQGHPVMARJMGCN-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)co1	2249427303	DKISOAAQNRGVDC-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1cocc1B(O)O	2249433298	KUJGWDAIBVPRHT-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2249576518	OHSPKHITZTVVNV-ZXUATJPGSA-N	239.319	-0.685	50	10	BBGE	
CCCOC1(C(=O)NCCC#CB(O)O)CC1	2249998721	MMLLZRFNHBCVSQ-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](c2ccncc2)C1	2255466029	SCGAYFHBYQQPBM-NSHDSACASA-N	244.059	-0.587	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1n[nH]cc1B(O)O	2255548542	BIFCXMUNIDIAPQ-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ncc(C)cc1B(O)O	2255556178	LTXJADGTOXZDGA-UHFFFAOYSA-N	246.075	-0.789	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(C)cc(B(O)O)c1F	2255591332	RQCCTRJTVDZGOK-MRVPVSSYSA-N	249.050	-0.435	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCC[C@@H]2C1	2255668653	CKBGMDUURHPECA-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255674131	WJPUTECAFZJGKR-MBTKJCJQSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@@H]2C[C@@H]2C1	2255692757	WLZUCXFLUYDCPV-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cncc(B(O)O)c1	2255714510	REFOMQBEVALXEK-NSHDSACASA-N	246.075	-0.707	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ncncc1B(O)O	2255729790	AVCDRZQPMNVARU-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
C#CC[C@@H](C)NC(=O)Nc1ccccc1B(O)O	2255917519	LKIJRMQYVCJDRG-SECBINFHSA-N	246.075	-0.100	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@H](C2)C1	2258122696	GFLCSQKQWFZXAF-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1cc(B(O)O)co1	2258154984	NJSKGVGORFKCRN-QPUJVOFHSA-N	249.075	-0.121	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(O)cc1O	2258963212	PYSYHKXWYMFELL-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
OB(O)c1cncnc1OCCc1ccccc1	2263386428	UQOIECBFBDFVQG-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2CCCC[C@]2(CO)C1	2298211082	KDKAVALGEREOAX-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377370	OCFFCWLUAIMIQC-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2298463416	BZHIAKNOUHCCLI-FKSUSPILSA-N	241.052	-0.781	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCCCN	2301369368	VSEHLJZWYXGAHY-UHFFFAOYSA-N	234.064	-0.644	50	10	BBGE	
O=C(c1cc(F)c(B(O)O)cc1O)N1CCC1	2301393157	NFXRLKOINWUWOI-UHFFFAOYSA-N	239.011	-0.943	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1COC[C@H]1[C@@H]2COC[C@H]12	2302580640	UICAQDWXYXOIDR-ILAIQSSSSA-N	240.303	-0.089	50	10	BBGE	
CN(CC(C)(C)N)c1cc(B(O)O)c(F)cn1	2303848218	WCFVECAGTMBUKH-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
CC[C@H](O)C(=O)N1CCc2c(B(O)O)cccc21	2317529563	XZNUVBPMTZHLEF-NSHDSACASA-N	249.075	-0.974	50	10	BBGE	
COCCNC(=O)C(C#N)=CNC[C@H](C)O	2324625763	KYTCFAJUYUEDBT-QMMMGPOBSA-N	227.264	-0.873	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)N[C@@H](C)C(N)=O	86550185	PDMSIOFBSPWURT-RITPCOANSA-N	242.728	-0.346	50	10	BBGE	
CC(C)[C@H](SC[C@H](O)CO)C(=O)NN	86661909	ORPMQKCAIJUESE-RQJHMYQMSA-N	222.310	-0.913	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)NCC(=O)O	96912511	BRDIYCLCYPIRQM-UHFFFAOYSA-N	233.224	-0.190	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](Cn2ccccc2=O)O1	110579102	XKZUOSIQCTVUFL-IUCAKERBSA-N	237.259	-0.614	50	10	BBGE	
COc1cnccc1C(=O)NNC(N)=S	157740838	OGXNNLLWZCHSRA-UHFFFAOYSA-N	226.261	-0.432	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](CO)C2)o1	163065766	TWTRPJKMAOFISU-QMMMGPOBSA-N	239.275	-0.303	50	10	BBGE	
O=C1C[C@H](C(=O)NCCCCl)NN1	170233012	QCANWNWWNAWVJM-RXMQYKEDSA-N	205.645	-0.875	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)Cn1cnnn1	171327840	DBQXNAYGGCKQEJ-UHFFFAOYSA-N	240.267	-0.743	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)[C@@H](C)CO1	199010588	ZUXKJTHNQNXNFY-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@H](N)C1)c1ccccc1	203473048	QNXCVHBUNCUJNH-RYUDHWBXSA-N	248.330	-0.207	50	10	BBGE	
OB(O)c1cccc([C@@H]2CNCCO2)c1	204434322	TUXWPPAJNHEARB-JTQLQIEISA-N	207.038	-0.973	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@@H](N)CC(C)C)B(O)O	213604987	JIYMMGWJMWSCOO-VHSXEESVSA-N	244.144	-0.097	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227214988	IINYEPSVQJAEAU-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CN(C)CCN1CCCCC(=O)NN	235579369	BYBAFWHQGLXFEW-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
Cn1cnc(CNS(=O)(=O)CCCl)n1	236088762	HRUKFQNWTDXIPZ-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
CC[C@](C)(OC(=O)NNC(=N)N)C(C)=O	238292165	ZGLQINHTAQEVCV-QMMMGPOBSA-N	216.241	-0.132	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc[nH]1)C(=O)NN	238299129	SJEGKETXPRGYKP-ZCFIWIBFSA-N	210.237	-0.487	50	10	BBGE	
CN(N)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	258941047	CLDAIKRNOBOKGL-UHFFFAOYSA-N	206.205	-0.198	50	10	BBGE	
O[C@@H]1[C@@H]2O[C@@H]2[C@@H](Br)[C@@H]2O[C@H]12	306821946	PVJIBJBAXAOCNY-GKDKHUDPSA-N	207.023	-0.341	50	10	BBGE	
CCOC[C@H](O)CNS(=O)(=O)CCl	308198366	OFABPKRPWFJBOY-ZCFIWIBFSA-N	231.701	-0.501	50	10	BBGE	
Cc1nccn(Cc2cc(C(=O)NN)co2)c1=O	381270733	ROIOVUQXFNIVEL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)(CN1CCC[C@@H](O)CC1)C(=O)NN	381998798	JDBAHZVZIGJVBD-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C=CCOCCOc1cncc(B(O)O)c1	385393258	BSVANOXLHPFPIZ-UHFFFAOYSA-N	223.037	-0.657	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)[C@@H]1C	385623480	HNWFAHYHZWVNGI-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1CC(=O)NN	388686090	ITKQSGKAUWWRDC-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CN1C[C@@H](NC(=O)CCCCCl)C(=O)N1	393895989	KCHALDQFMKWTBZ-SSDOTTSWSA-N	233.699	-0.143	50	10	BBGE	
Nc1csc2c(B(O)O)cc(CO)cc12	396240420	HIQIPGHKUYPDKV-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	396466723	XDJLPCZOXPNLBM-WDEREUQCSA-N	241.071	-0.478	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@@H](C)C1	401534723	REMRIFMOBXMGEY-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(C)c(B(O)O)c1	405011270	XAZRSMYYDMYIJU-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)C[C@H]1CO	687590251	HWIIZRYQCFPKBL-ZETCQYMHSA-N	242.728	-0.879	50	10	BBGE	
CCN1CC[C@@H](N(C)C[C@H](C)C(=O)NN)C1	689045453	BBQORHFZQINKGM-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C[C@H]1CCC(C)(C)O1)C(=O)C(=O)NN	691938302	TXOLPPKTVKJWPW-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
OB(O)c1cnn(CCC[C@@H]2CCOC2)c1	694535698	OREDQNXKNLMKLF-SECBINFHSA-N	224.069	-0.620	50	10	BBGE	
NNC(=O)c1coc(CN2CCNC2=O)c1	696381951	TXDQLVVKGXTGQB-UHFFFAOYSA-N	224.220	-0.592	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H](C)[C@@H](O)CO	698872591	LICJEAUOPPFBEM-JKUQZMGJSA-N	240.097	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCN(C)C1	705216439	KAJODJLUGCMMDG-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@]12CCCC[C@@H]1CN2C(=O)C(=O)NN	707202382	ZSPUQTXVXQLQQM-XCBNKYQSSA-N	211.265	-0.233	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	708545382	NWDHEFWKUQPLKT-RKDXNWHRSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2C[C@H]2C2CC2)n1	714935134	TUMIVZADQNZYEL-UWVGGRQHSA-N	220.081	-0.001	50	10	BBGE	
CC1(C)CO[C@H](CCNC(=O)C(=O)NN)C1	717264164	VNTDZLTYCDIRCO-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CN(Cc1nsc(C(=O)NN)n1)C1CC1	724349768	RQBVUMUKFLZWPC-UHFFFAOYSA-N	227.293	-0.264	50	10	BBGE	
CN(C)NC(=O)Nc1cn(C)nc1C(=O)O	725200110	OMFJALQSZAGFAO-UHFFFAOYSA-N	227.224	-0.284	50	10	BBGE	
O=C(NNC(=O)[C@@H]1COCCO1)NC1CCC1	745834369	ORSMLHDBJCEHFC-QMMMGPOBSA-N	243.263	-0.715	50	10	BBGE	
CNC(=O)CC(=O)NNc1ccnc(F)c1	773744580	NAPMREMPOSWVGY-UHFFFAOYSA-N	226.211	-0.200	50	10	BBGE	
CCOC(CC(=O)NNC(C)=O)OCC	789938616	GUOLKTQCEBQZFA-UHFFFAOYSA-N	218.253	-0.057	50	10	BBGE	
COC(=O)N(C)NC(=O)C1(OC)CC1	843882524	POWCKLASIYVWAL-UHFFFAOYSA-N	202.210	-0.105	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)[C@@H]1COCCO1	845681372	VIPSFXJOTRGLQU-YUMQZZPRSA-N	241.247	-0.901	50	10	BBGE	
Cn1cccc(C(=O)NNc2ncccn2)c1=O	1115994558	ZZYXOGFPHAXYBJ-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)N(C)C	1118981618	BFIDJVDIXKYSMK-QMMMGPOBSA-N	242.279	-0.700	50	10	BBGE	
CC(=O)NNC(=O)/C=C\c1cncc(O)c1	1540576259	FZUTZSJWJJIBMQ-IHWYPQMZSA-N	221.216	-0.032	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1cccnn1	1597260488	NLCXRTFRJRLTQR-QMMMGPOBSA-N	220.232	-0.042	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNc1ccncn1	1637050084	BYGCZSHPZWIVCC-ONEGZZNKSA-N	235.247	-0.436	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)[C@@H](C)CO)c1O	1640026764	ZXHKKLNSZDGKER-YFKPBYRVSA-N	228.252	-0.619	50	10	BBGE	
C[C@H](CS(=O)(=O)N(C)C)NC(=O)F	1882790333	WYNQQTSLOGUGOO-RXMQYKEDSA-N	212.246	-0.055	50	10	BBGE	
NC[C@H](O)CC(=O)NC[C@H]1C[C@@H]1Cl	1883563877	OLRGNJQDCHVJEJ-QYNIQEEDSA-N	206.673	-0.560	50	10	BBGE	
NOCCS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883567085	MOESGRIFLNVFIW-PHDIDXHHSA-N	228.701	-0.577	50	10	BBGE	
N[C@H]1C[C@H]1CNC(=O)/C=C/C(=O)Cl	1883647070	IDRBSJNLZSSHLA-ZELZYMQXSA-N	202.641	-0.229	50	10	BBGE	
CO[C@]1(CN)C[C@H](C(=O)NN(C)C)C1	1885261592	DPZHLCNZQNENBC-OTSSQURYSA-N	201.270	-0.667	50	10	BBGE	
CN(NC(=O)C1CC(S)C1)S(C)(=O)=O	1888571109	CMOCSWSYONZXIW-UHFFFAOYSA-N	238.334	-0.383	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C(F)F)C1	1891515850	AQDJAWFMNUNHON-SSDOTTSWSA-N	206.985	-0.283	50	10	BBGE	
COCC1(NC(=O)[C@@H]2C[C@@H]2Cl)CNC1	1893469496	JUAXIRQDIJXCAJ-RQJHMYQMSA-N	218.684	-0.282	50	10	BBGE	
C=C(CN1CC[S@@](=O)[C@@H](C)C1)B(O)O	1895096455	CMJMNBGGDFBUEI-RMLUDKJBSA-N	217.099	-0.993	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@@H]1F	1895126062	NTIWKAFYLSGBNB-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1895992300	WZUQSXZNMMUHDH-VCQFTWBDSA-N	225.244	-0.328	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@@H]2CC2(F)F)O1	1896174943	BBDJERWBKUYQFQ-DSYKOEDSSA-N	236.218	-0.052	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCO2)cc1F	1901306488	AIAMHTANTUTJOH-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CN(NC(=O)[C@@]12CC[C@@H](C1)NC2)S(C)(=O)=O	1901343998	JMPGWURJDXTITQ-CBAPKCEASA-N	247.320	-0.949	50	10	BBGE	
CN(NC(=O)C1(C2(N)CC2)CC1)S(C)(=O)=O	1901345006	ZQCXIHIDLZSPHU-UHFFFAOYSA-N	247.320	-0.820	50	10	BBGE	
C[C@@H](CO[C@H]1CN2CCC1CC2)C(=O)NN	1901435834	KOWIMPWYRWLRRH-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1901870546	QLGUIPUAKKFCEA-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CN1C[C@H](CN2CC[C@H](B(O)O)C2)CC1=O	1902511302	GFKIQJOPDNHZRF-BDAKNGLRSA-N	226.085	-0.987	50	10	BBGE	
Cc1nc(CN2CC[C@H](B(O)O)C2)n(C)n1	1902528768	JRUUDNWMOXJQCN-QMMMGPOBSA-N	224.073	-0.828	50	10	BBGE	
Cc1nc(N2CCC[C@@H]3C[C@@H]32)ncc1B(O)O	1907076825	KQUPQXDUZFXCPA-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
C[C@@H](Cn1cnc2c(c1=O)CCC2)C(=O)NN	1912237662	OWKZEGUWCNGZAW-ZETCQYMHSA-N	236.275	-0.642	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](OC)[C@@H]1C	1914334417	HACSOGXYMKFCJF-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@H]1C[C@@H]1C(=O)NN	1927910220	DRCMODKLNQCBMG-PRJMDXOYSA-N	211.265	-0.377	50	10	BBGE	
CC1(C)C[C@@H](CO)N(CCC(=O)NN)C1	1931245854	HCCYURGKVQWSAI-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
NC(=O)[C@H](NS(=O)(=O)CCCl)C1CC1	1932385968	APHPZVQGJWWOME-ZCFIWIBFSA-N	240.712	-0.592	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CC(F)(F)C(=O)NN	1935932902	UQGDFLPIHYFZEP-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccc([N+](=O)[O-])n1	1936081658	AIXHXAJCRZPACU-PHDIDXHHSA-N	225.208	-0.583	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CCCO2)C1	1936094970	RVNYXECLIDCLTJ-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(CC1(C(=O)NN)CC1)C2	1938234140	VDPOBIUHXYGPMY-WPRPVWTQSA-N	225.292	-0.380	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCN2CCC1CC2	1941086864	KHKVXTQQJFKJDH-KOLCDFICSA-N	238.335	-0.608	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1C(=O)NC	1942614078	UTYBAVOXWHBLBX-YIZRAAEISA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@H]1CO	1944080044	KYSGEDZHFUCHMK-QMMMGPOBSA-N	236.275	-0.748	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCOC[C@H]21	1945074822	MXBLBKYVOMHTOW-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(O)(COC)CC1	1946495958	QIEXCRBYNZMHQO-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CO[C@H]2CCCOC2)O1	1947167349	AFTOSCIDXFYSSZ-GUBZILKMSA-N	244.291	-0.281	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949698156	XQBOKBYKDXTALC-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1C[C@H](O)C1	1953235552	UCCCJKACPUQPLZ-URHBZAFASA-N	244.110	-0.219	50	10	BBGE	
NCC1CN(CC(=O)CBr)C1	1953312529	ZWUAOWPIPOFGEP-UHFFFAOYSA-N	221.098	-0.159	50	10	BBGE	
CCN(CC(=O)NC)C[C@H](O)CCl	1954820175	CXLPFTIOHIHLJX-SSDOTTSWSA-N	208.689	-0.346	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCn1ncnn1	1957316519	CWTFVJYNWFAQSX-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
CC(C)COC1CN([C@H](C)C(=O)NN)C1	1958193756	CUONZGOVYVKLPT-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
CCCN(OC)c1ncccc1B(O)O	1961696394	PZKNNSXUKVYZRF-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
C[C@H](F)CNC(=O)c1cccc(B(O)O)c1	1962944734	SZNUPEIBBLQQRZ-ZETCQYMHSA-N	225.028	-0.546	50	10	BBGE	
CCCNC(=O)N1CC[C@@H](B(O)O)C1	1972411723	FCVKRSWYTKMZFV-SSDOTTSWSA-N	200.047	-0.345	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H](CCO)C(F)F	1975123738	ZTYHYFMSGDYMTJ-RITPCOANSA-N	225.239	-0.687	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	1976841937	QBDJRNJKNSJUDQ-UYXSQOIJSA-N	221.260	-0.601	50	10	BBGE	
CN(Cc1cnco1)CC1(C(=O)NN)CC1	1977388711	ZRFCYKOAKFHICC-UHFFFAOYSA-N	224.264	-0.124	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1981997614	VNQUGOAXZNUOQL-AXTSPUMRSA-N	225.292	-0.667	50	10	BBGE	
CC[C@@H](CN(C)CCOCC(=O)NN)OC	1987965145	AOHXYEHRQWCJBA-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1CC(CO)C1	1990048344	XRGWNVNZJMRXHO-UHFFFAOYSA-N	237.250	-0.686	50	10	BBGE	
OB(O)c1cnc(N2[C@H]3CCC[C@@H]2C3)nc1	1992321471	BDNOAARMTSEFCN-DTORHVGOSA-N	219.053	-0.712	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOC(F)F	1993954041	TXBLTZVPZOVCSJ-UHFFFAOYSA-N	239.222	-0.675	50	10	BBGE	
COC[C@H](O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)C(=O)NN	1995620823	PNMBLOAFMHIADB-AIGBEWNKSA-N	226.276	-0.338	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(F)C[C@H]2CO)CC1	1996892775	JKOXMRYUORNHCT-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCC[C@H]32)nc1	2004918804	QGDFJDIKLVFUGL-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
CO[C@H](C)CN(C)c1ncc(B(O)O)cc1C	2005014352	KFGGIFYXNZSAIN-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
CON(c1ncc(B(O)O)cc1C)C1CCC1	2005014999	UWENCGAVVRAYDP-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H](CO)[C@H]2CC[C@@H]1C2	2008979923	PHMSIGVYZSLYNC-UNQZSWDGSA-N	239.319	-0.542	50	10	BBGE	
Cc1ncnc(CN2CC(=O)OC(=O)C2)c1C	2025898098	CBAQLVZXUIUZRO-UHFFFAOYSA-N	235.243	-0.021	50	10	BBGE	
Cn1cnc2c1CN(C[C@@H]1C[C@@H]1C(=O)NN)CC2	2051113535	WSBMYLZDQMLAMM-IUCAKERBSA-N	249.318	-0.596	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCO[C@H]2C[C@@H]21	2051854140	PUHGMDYBUGTKJI-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cnc(-n2cc(C3CC3)cn2)c(F)c1	2052597363	IHBLASVOWFJSNJ-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(B(O)O)c1	2053736884	UUZODIDJGCLNKU-QFOLPQNPSA-N	244.103	-0.086	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@@H]2C1	2058157545	ZZOCQQSMDFSWSZ-VWYCJHECSA-N	247.103	-0.036	50	10	BBGE	
CCc1cc(C=O)c([N+](=O)[O-])c(B(O)O)c1	2060034594	PZASRDQYEHSQFP-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)c1ccncc1B(O)O	2073877070	KIHFVAHOZPNDAK-WVSHTKLVSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32	2086993798	IDVDRHLFYBUCNF-KXWORKGVSA-N	244.059	-0.955	50	10	BBGE	
CON(C)Cc1cc(B(O)O)cs1	2209233423	DOAWRBWNYMNITQ-UHFFFAOYSA-N	201.056	-0.579	50	10	BBGE	
Cn1cnnc1N1CCN(CCCl)C(=O)C1	2211475158	AYGSOCPHOCIAFJ-UHFFFAOYSA-N	243.698	-0.298	50	10	BBGE	
C[C@H](O)CCCNc1ncccc1B(O)O	2212615113	JWSMNVFKOBFDMG-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)[C@H]1C[C@@H](O)C1	2212783129	NMZVCDFGCHNXCB-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2CC[C@H]2C(=O)NN)cn1	2215774638	XSKVXPDBQQRYCU-RKDXNWHRSA-N	236.275	-0.432	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@]1(F)CCOC1	2216337541	HQZLPECTDFDIHR-WCBMZHEXSA-N	249.286	-0.948	50	10	BBGE	
CN1CC(N(C)CC2(C(=O)NN)CCCC2)C1	2216872673	TZAQFYDJLNBLDH-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@@H]32)CCOCC1	2216873623	YQTMYPWUFIVIEH-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217175907	PBQIYJLPNJAGPQ-NXEZZACHSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1cccnc1NCCN1CCCC1	2217176765	ADAFIDPYEBVAQX-UHFFFAOYSA-N	235.096	-0.731	50	10	BBGE	
OC[C@H](Nc1ccc(B(O)O)cn1)C(F)(F)F	2217177012	DLVYKDVEUCWZLV-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
OB(O)c1ccnc(NCc2ccon2)c1F	2217179430	KOPCPJCKBFLLNF-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)C(F)(F)F	2217183682	KCSUSVXZTZYLGP-ZCFIWIBFSA-N	248.013	-0.206	50	10	BBGE	
CC[C@H]1C[C@H]1CCN=c1ncc(B(O)O)c[nH]1	2217199816	PEQCIQHBBZWMSN-DTWKUNHWSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H]2CCCN2)c1	2217199977	QAMIMTBNRVQEST-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
COC(C)(C)CCNc1ncccc1B(O)O	2217201802	RUEDLPSEOFYXFX-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@@]1(O)CCCN(c2cc(B(O)O)ccn2)C1	2217204193	GNSCUWWEODGSDI-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
COC[C@@H]1C=CCN1Cc1cccc(B(O)O)c1	2220068300	BJHAGKILKHGWNK-ZDUSSCGKSA-N	247.103	-0.247	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	2221562384	PYVGVPQPAWVSNK-VCACHIOZSA-N	249.314	-0.131	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1-c1ccc(B(O)O)cn1	2223608216	DDDRNMKTXGPUKK-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3cc(B(O)O)ccn3)C[C@@H]12	2223631992	DKCWLNVCAUEERJ-AYHFEMFVSA-N	247.107	-0.701	50	10	BBGE	
CC[C@H](C)N1CC(Nc2ncccc2B(O)O)C1	2223638761	ZCVXJNQJRWDAEG-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
Cc1cnc(N[C@H]2CNC(C)(C)C2)cc1B(O)O	2223647732	ZXESSBRCHWEKAI-SECBINFHSA-N	249.123	-0.378	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)C#CB(O)O)C1	2243349649	OLXMTSOLKZMARP-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CN(CC1CC(C)(C)C1)C(=O)C#CB(O)O	2243357190	SPUCLKROZDXSQM-UHFFFAOYSA-N	223.081	-0.104	50	10	BBGE	
CN(C)C1CC(NC(=O)C2(B(O)O)CC2)C1	2243363538	IKXBULAHCMTDFG-UHFFFAOYSA-N	226.085	-0.798	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)C1(B(O)O)CCC1	2243364150	RWXDKOIFGVJHJU-UHFFFAOYSA-N	225.053	-0.079	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1sccc1B(O)O	2243373902	AYMYKLXVZSYGSY-IYSWYEEDSA-N	243.068	-0.484	50	10	BBGE	
CCCN(CCN)C(=O)C1CC(B(O)O)C1	2243391934	PHBPIMLWHRXZPA-UHFFFAOYSA-N	228.101	-0.563	50	10	BBGE	
C[C@H]1CN(C(=O)c2csnc2B(O)O)[C@H]1C	2243398489	QBXABOQIIMLDNG-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
CN(C[C@@]1(C)C=CCC1)C(=O)C#CB(O)O	2243404476	OUSGRUBHXBEWSR-NSHDSACASA-N	221.065	-0.184	50	10	BBGE	
CC[C@]1(C)CC(=O)N1C(=O)[C@H]1C[C@H]1B(O)O	2243404529	PQURKEZRIYBNLG-NYNCVSEMSA-N	225.053	-0.223	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC(C)(C)C	2243408713	TWALSQNVKBABBO-UHFFFAOYSA-N	225.053	-0.204	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)C1(B(O)O)CC1	2243410513	CNWIDGZBIHWORQ-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
O=C(NCCOCC1CC1)[C@@H]1C[C@@H]1B(O)O	2243414711	GZNIBBQBFPFHDJ-BDAKNGLRSA-N	227.069	-0.608	50	10	BBGE	
C=C1CCN(C(=O)c2sncc2B(O)O)C1	2243415139	OVENIHIEVFSMMB-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243420522	UYLKLYZTNDMZAW-XHNCKOQMSA-N	226.085	-0.988	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243426627	JGWHKENNVPGQFG-RYPBNFRJSA-N	227.069	-0.657	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1CC(N)=O	2244149584	LYVDSNSONOUANH-MRVPVSSYSA-N	228.296	-0.904	50	10	BBGE	
O=C(Cc1ccsc1)NCCC#CB(O)O	2244547738	FELYLZAMVSESMO-UHFFFAOYSA-N	237.089	-0.188	50	10	BBGE	
CC1(OCc2cccc(B(O)O)c2)COC1	2245011808	QOLFIYWYFALUJY-UHFFFAOYSA-N	222.049	-0.328	50	10	BBGE	
O=C(NN1CCCCC1)c1coc(B(O)O)c1	2247732741	IRMKSMNPBAIDLP-UHFFFAOYSA-N	238.052	-0.910	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H](F)C1	2247732774	JDSOPPJFVJQIDV-SSDOTTSWSA-N	241.027	-0.548	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1coc(B(O)O)c1	2247733688	CXHDUXCEVGVYPL-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccoc1B(O)O	2247740763	OZDCLWCFKFVPJJ-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
COc1ccc(C)c(NC(=O)C#CB(O)O)c1	2247742580	QREZMZWMFIDVDF-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@@H](C1)OC2	2247742688	SGFKPWYKAGBKDY-GXSJLCMTSA-N	237.064	-0.923	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC(C)C1	2247751795	CEWJZZNXVZJPPH-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCOC1	2247797204	HABADNOZASKRBA-BBBLOLIVSA-N	237.064	-0.900	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2NCC[C@H]2C1	2247808833	MTCXIMDYIDFDFL-JXUBOQSCSA-N	238.096	-0.940	50	10	BBGE	
CN(Cc1ccnn1C)C(=O)[C@H]1C[C@H]1B(O)O	2247854529	DTINXZTZDDNTOA-DTWKUNHWSA-N	237.068	-0.759	50	10	BBGE	
O=C(NC[C@@H](F)[C@@H]1CCOC1)C1(B(O)O)CC1	2247854791	IMNKCUOOGNTHGE-HTQZYQBOSA-N	245.059	-0.516	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247858653	GSMBHLSDNLNARJ-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C#CC1(CNC(=O)c2ccc(B(O)O)s2)CC1	2247869249	OJEDFSRNOBIBEA-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
O=C(NCCC1CCC1)c1coc(B(O)O)c1	2247872635	WMSDNCUDAIZPGJ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2247878371	JLAURYRJKFJCAU-BDAKNGLRSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2247878514	KZFOBMAYWRTQLX-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
CC1(C)CC[C@H](N)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247886378	BDFLEZICUNMQPK-YIZRAAEISA-N	240.112	-0.422	50	10	BBGE	
Cc1ncc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2247886852	HCEVBAVACRAFHQ-IUCAKERBSA-N	238.052	-0.495	50	10	BBGE	
CC(C)(O)C1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887094	KDQYNGJNIACEQO-YNTFGVKOSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2247900395	WLXWJPWOCNZJMH-ZXZZCXTASA-N	241.096	-0.079	50	10	BBGE	
C[C@]12C[C@](CNC(=O)[C@@H]3C[C@@H]3B(O)O)(CO1)C2	2247900728	ZDKZANCYYFTVQG-MKHNBGRSSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H](CCNC(=O)C1CC(B(O)O)C1)C(=O)O	2248576584	HNYFLQPZUFUFRY-KKMMWDRVSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)c1cnc(NC(=O)[C@H]2C[C@@H]2B(O)O)o1	2248592803	GOUKUXSHVHUACP-IMJSIDKUSA-N	239.980	-0.826	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1cocc1B(O)O	2249424253	PZMOQXSWBGTIKO-ZCFIWIBFSA-N	237.020	-0.890	50	10	BBGE	
O=C(Nc1ccccc1O)c1ccc(B(O)O)o1	2255467400	MRVCDUABXYIDQV-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC(C)(C)C2)n1	2255725096	KJEIXOYWEYLMIK-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cc(F)ccc1B(O)O	2255727614	SIDIWKKIBAPPAM-JTQLQIEISA-N	249.050	-0.212	50	10	BBGE	
NCc1ccc(CNC(=O)C2(B(O)O)CC2)cc1	2255740713	FCIMZNIWGJGRBG-UHFFFAOYSA-N	248.091	-0.232	50	10	BBGE	
Cc1cc(=NC(=O)c2cc(B(O)O)co2)cc[nH]1	2258127044	HUGNYCFKRHBUKG-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
CNc1ccccc1C(=O)NCCC#CB(O)O	2258973692	MSIZFVICCGZVEX-UHFFFAOYSA-N	246.075	-0.136	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)[C@@H](C2CC2)C1	2298370758	KVEVQGPMWJARFW-ZYUZMQFOSA-N	239.080	-0.921	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2299580433	GKSNYCSKPVSWKV-YIZRAAEISA-N	241.096	-0.362	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H]1N	2301346144	NRNIGQLLWZJKHG-ONGXEEELSA-N	231.064	-0.860	50	10	BBGE	
CC(C)N1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	2301467005	OWDPDUCTRAMUKY-DTWKUNHWSA-N	240.307	-0.242	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)N3CC[C@@H](B(O)O)C3)C[C@H]12	2303110361	ZMFOVKVHGSXHGO-TURQNECASA-N	239.080	-0.513	50	10	BBGE	
COCCCNC(=O)N1CC[C@@](C)(B(O)O)C1	2303150264	JALARNCZUUKJIT-SNVBAGLBSA-N	244.100	-0.329	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](Cn3cc(B(O)O)cn3)(C2)O1	2303201688	YXLATNBEIYXKIL-KKZNHRDASA-N	236.080	-0.480	50	10	BBGE	
CCNC(=O)CN(C)C[C@](C)(CC)C(=O)NN	2303420530	ZCWQRIJPRPZOHM-NSHDSACASA-N	244.339	-0.540	50	10	BBGE	
CC[C@](C)(CN1C(=O)CN(C)C1=O)C(=O)NN	2303439972	WOTRBSOARLLLOX-SNVBAGLBSA-N	242.279	-0.713	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]3CC[C@H]2N3)c1	2312613960	UBLFKGWKBGNNKN-DVVUODLYSA-N	247.107	-0.686	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](Nc1ncccc1B(O)O)C2	2313112036	JXEGLFBKRQQKTI-CKYFFXLPSA-N	248.091	-0.259	50	10	BBGE	
O=Cc1ccc(NC2(CCO)CC2)cc1B(O)O	2317311702	UFMDQPIWQIBQBZ-UHFFFAOYSA-N	249.075	-0.494	50	10	BBGE	
CN(C[C@@H]1CCO1)c1ccc(C=O)c(B(O)O)c1	2318626978	UQZQYCNLMONEJL-NSHDSACASA-N	249.075	-0.596	50	10	BBGE	
O=C1NC(=O)C2(CCN(C(=O)CCl)CC2)N1	37654282	FGHJSQVKNXTANO-UHFFFAOYSA-N	245.666	-0.574	50	10	BBGE	
C[C@H](Sc1nnnn1C1CC1)C(=O)NN	70157671	TXDQFFTUYBUESE-BYPYZUCNSA-N	228.281	-0.522	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCCO1	82469527	MYNDSDDXLHQTMT-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](N)CSC[C@H]1CC[C@H](C(=O)NN)O1	85311442	AFINQZMQMVWKJE-XLPZGREQSA-N	233.337	-0.396	50	10	BBGE	
NC(=O)N/N=C(\CBr)C(=O)O	96912237	YABBHBMYRWYPJM-FARCUNLSSA-N	224.014	-0.510	50	10	BBGE	
C[C@@H]1CCCN1CCn1cc(C(=O)NN)nn1	104104607	QFANYRQWOUERHO-MRVPVSSYSA-N	238.295	-0.634	50	10	BBGE	
CC(C)OCC(=O)N1CCC(C(=O)NN)CC1	110553740	ZZMSBIOPFKDJGB-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
Cc1cnc(CN2CC(=O)OC(=O)C2)cn1	111217918	VMPHPGZTNFEQJT-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CC(C)NC(=O)CCNC(=O)NC(=O)CCl	163530459	JLNQCPYUVCISHD-UHFFFAOYSA-N	249.698	-0.034	50	10	BBGE	
Cc1cc(=O)n(Cc2cccc(B(O)O)c2)cn1	199003763	ASTABTVAMQKFHI-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@H](C#N)C1	211859891	GXPBOFQOTSZVQV-BDAKNGLRSA-N	226.280	-0.631	50	10	BBGE	
Cn1nc2c(c1N=C=O)CS(=O)(=O)CC2	215493417	HJZOVESLJLPMBJ-UHFFFAOYSA-N	227.245	-0.142	50	10	BBGE	
C[C@H]1CN([C@H](C)CCC(=O)NN)CCN1C	216743150	HXPPVNLAOIMRJE-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H](C)O1	224713875	HYHXXMKOQLTSJX-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)OC(C)(C)C1	228983530	MDAMDOPXTAUWBF-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C(C)(C)CO	231974890	HLGDKEZDYKVLGD-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccoc1	232419911	QWRHVLMTNOAYNV-SECBINFHSA-N	227.264	-0.284	50	10	BBGE	
Cc1ccn(-c2nc(B(O)O)cs2)c1	238538367	OAYIUMKSKVDXGZ-UHFFFAOYSA-N	208.051	-0.078	50	10	BBGE	
C=CCNC(=O)CN(C)C(=O)CCl	259032002	TYHZHDFFEBHMQR-UHFFFAOYSA-N	204.657	-0.014	50	10	BBGE	
COC(=O)[C@H](Br)CNC[C@H](C)O	300011670	WRFFCZQZNRQEGS-NTSWFWBYSA-N	240.097	-0.107	50	10	BBGE	
Nc1cnc(B(O)O)c(C(F)(F)F)c1	307256890	PMQOFMILPAHWMX-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
N[C@@H]1NC(=O)[C@H](Br)[C@@H](Cl)N1	307748058	APOPCFIZOPSVSB-OIQQXWIDSA-N	228.477	-0.724	50	10	BBGE	
C#CCNCC(=O)NNc1ccccn1	308888450	VGKULMDMDBPYEV-UHFFFAOYSA-N	204.233	-0.253	50	10	BBGE	
N#Cc1cnn(C[C@@H]2CC[C@H](C(=O)NN)O2)c1	383835021	TZQHAAPIBZKOGR-DTWKUNHWSA-N	235.247	-0.708	50	10	BBGE	
C[C@H](Cl)C(=O)N(CCO)CCCO	385333116	URGSOOSTDCDDKB-ZETCQYMHSA-N	209.673	-0.183	50	10	BBGE	
C[C@@]1(O)CCN(Cc2nc(C(=O)NN)co2)C1	386969184	LJHKNJAVYILTGE-SNVBAGLBSA-N	240.263	-0.765	50	10	BBGE	
CN(C)c1ncccc1NC(=O)C(=O)NN	387217565	RQYNKNVKNFHQFE-UHFFFAOYSA-N	223.236	-0.924	50	10	BBGE	
CCC(CC)(CCN(C)CC(N)=O)C(=O)NN	395627042	KCYCRSWFXVNBHT-UHFFFAOYSA-N	244.339	-0.410	50	10	BBGE	
CC(=O)Cc1ccc(C#N)c(B(O)O)c1	396089270	DYDOFLHXQMUTGV-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1=O	399648998	ZBXPTZHMNKNAHE-VGMNWLOBSA-N	241.291	-0.608	50	10	BBGE	
Cn1cncc1COc1ccc(B(O)O)cc1	401795157	PXFLNYALAXPOSR-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1ccon1	405037457	TZEXVISNIANPPK-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
COC[C@@H](CN(C)CC(C)(C)C(=O)NN)OC	691284502	CRCCITKHXPECEF-SECBINFHSA-N	247.339	-0.404	50	10	BBGE	
CN1CC[C@@H](COc2ccc(B(O)O)cc2)C1	691574316	ZUSWMOYYJBMTKD-SNVBAGLBSA-N	235.092	-0.303	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@H](N)C1	695085752	DUNPBOKTGMCTNT-UWVGGRQHSA-N	228.340	-0.186	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccnn1	700691687	KAYMHVPAJYYBQR-UHFFFAOYSA-N	209.253	-0.712	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cccnn1	700699697	DXGFFENTEGWUGL-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
Cn1nnc(CN[C@H]2CCOC[C@H]2Cl)n1	706727655	QORWYTQCHZAVBG-RQJHMYQMSA-N	231.687	-0.304	50	10	BBGE	
C[C@H]1CCN1CCOc1cccc(B(O)O)c1	706818915	ZGEICRCOTPTCIE-JTQLQIEISA-N	235.092	-0.161	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]3C[C@H]32)O1	706969482	BKUGTKIFWULRPK-JLIMGVALSA-N	225.292	-0.382	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)C[C@@H](C)C1	707565390	SLUOBHKAPFYCNI-MNOVXSKESA-N	242.367	-0.116	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C(C)(C)CCO	707914374	AYOHCYCCZCAIJS-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCCS1	715895440	PZQNOPBPRZGFSZ-LURJTMIESA-N	217.294	-0.622	50	10	BBGE	
NC(=O)NNC(=O)CCOC1CCC1	716858268	VJYOVGBOQOICOU-UHFFFAOYSA-N	201.226	-0.355	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC([C@H](C)O)C1	719807487	ODOXRECOZAUJBC-IONNQARKSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@@H](CO)C1	725674153	YCGPSXFTKLQSRH-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=Cc2ccc(O)cn2)N1	863147627	KLXJYFHCOUQTPM-SECBINFHSA-N	248.242	-0.484	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1ncccn1	1460986403	FVTPWEFVFXPKSK-UHFFFAOYSA-N	233.231	-0.213	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1ncccn1	1478646397	XBMCZSFPDWKQKU-UHFFFAOYSA-N	237.219	-0.462	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1CCOCC1	1544264794	AJPFZGLHZOGHJH-UHFFFAOYSA-N	215.253	-0.285	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)c2ncccn2)n1	1584132944	NRFSUQSZSZSPMV-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CC(=O)c1ccc(S(=O)(=O)NNC=O)cc1	1858080769	SYQYGRMPNGGAKT-UHFFFAOYSA-N	242.256	-0.172	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@@H]1Br	1877359635	MGNVELDCYNEDBG-UCROKIRRSA-N	249.108	-0.781	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C[C@H](Cl)C#N	1885616337	KEZWONZHHHHBRG-GJMOJQLCSA-N	218.684	-0.067	50	10	BBGE	
NS(=O)(=O)CC1CN(C(=O)OCCl)C1	1891626754	MNFUPFFFXSKTQF-UHFFFAOYSA-N	242.684	-0.460	50	10	BBGE	
C[C@@H](O[C@@H]1COCC1(F)F)C(=O)NN	1893364355	NDQQVQDZTOGXOJ-RFZPGFLSSA-N	210.180	-0.585	50	10	BBGE	
NCC1(CNC(=O)[C@@H]2C[C@H]2Cl)COC1	1893462587	ZVYMROKVEQZONR-RNFRBKRXSA-N	218.684	-0.295	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475363	SPYPTWIYZWTHMQ-ARQDHWQXSA-N	221.640	-0.436	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1[C@@H](C)CC(=O)NN	1896026679	QVMICFWPGBUIEX-IQJOONFLSA-N	229.324	-0.154	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]1C	1899934537	HHRUCLQCCAIBQB-ZCFIWIBFSA-N	223.037	-0.498	50	10	BBGE	
C[C@H](COC[C@@H]1N(C)CC1(C)C)C(=O)NN	1901425168	ISIZSIZNWRBAGD-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21)C(=O)NN	1905786969	LNHBEAORDNTCGK-XGEHTFHBSA-N	237.303	-0.131	50	10	BBGE	
COC(=O)[C@H](N)CC(=O)NC1CC(Cl)C1	1909273143	UBFZDOWGYSCABL-KPGICGJXSA-N	234.683	-0.237	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C(C)=O	1909670272	FDCBFCJWOWDBNO-GUBZILKMSA-N	240.307	-0.940	50	10	BBGE	
O=C(C=Cc1cccnc1)NCB(O)O	1911738526	PYFMEXBZCDKMTH-UHFFFAOYSA-N	206.010	-0.777	50	10	BBGE	
CC(C)c1cc(=O)n(C[C@@H](C)C(=O)NN)cn1	1912237374	JFDIQBJGFHFQKJ-MRVPVSSYSA-N	238.291	-0.007	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2CCC[C@@H]21)C(=O)NN	1912296604	KRXVEHLTWOVPJJ-PRJMDXOYSA-N	211.265	-0.377	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C1COC1	1915656542	GNZQNZYYTYUUJA-VIFPVBQESA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](F)[C@H](F)C1	1927917226	VCUIRXLJAOAMMY-LXGUWJNJSA-N	219.235	-0.396	50	10	BBGE	
CN(C)CC(C)(C)C(=O)NNC(N)=O	1929597745	ZBTIDSSYHRUPLR-UHFFFAOYSA-N	202.258	-0.726	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CC(=O)N2)CC1	1929860854	ZUBBVOVRYVKBIB-QMMMGPOBSA-N	209.249	-0.775	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935943530	FBWVYFXHHCCEGI-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1936087366	BFTVPZZGVFYASY-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C[C@@H]1C[C@H]1C(=O)NN	1936089814	FENZACMUDNHEHR-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	1936092898	YOHOSBVHADKHTK-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CCCN(CCCC(=O)NN)S1(=O)=O	1936230139	NLJIEDVCSGAWDL-QMMMGPOBSA-N	249.336	-0.429	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCn1cnnn1	1937284871	VPMVXHLCGHUJHN-YFKPBYRVSA-N	246.658	-0.874	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C)[C@H](C)C(=O)NN)C1	1937985636	UFSQOJVCCUVUPC-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
CCc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)cn1	1941084510	YJVIPENONPPTHO-IONNQARKSA-N	236.275	-0.568	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@@]1(C)CCOC1	1941089857	XUIJSVZEOAUUBT-JBLDHEPKSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941288649	QFPQDTGAWUTNKP-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)C[C@H]1C	1944321703	JFONIAZIIFIAGN-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(OCCO)C1	1946920800	HDFXZUXDCPQRAV-SECBINFHSA-N	245.323	-0.916	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CC2)C[C@H]1CO	1949623785	JSTVZUFCJNBFRV-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@@H]1CO	1957828604	PUPMLFOUOXLVRD-WCTZXXKLSA-N	211.217	-0.716	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COC(C)(C)C1	1958432577	KRKPNYCOZXDZHW-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CSCCSc1ncc(B(O)O)c(C)n1	1961706096	OCVDIFODTUDTTG-UHFFFAOYSA-N	244.150	-0.080	50	10	BBGE	
Cc1nn(C)c(=O)n(C[C@@H](Cl)C#N)c1=O	1962479009	QQEMCJXPUMGATF-LURJTMIESA-N	228.639	-0.619	50	10	BBGE	
C=C1COC[C@H]1NC(=O)c1cccc(B(O)O)c1	1962790051	LRHPHWCJTIPERP-LLVKDONJSA-N	247.059	-0.949	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)[C@@H]1CCCO1	1974878289	BKRCLCJWEQFNMF-WDSKDSINSA-N	233.293	-0.955	50	10	BBGE	
C[C@H]1C[C@@H](CCn2cc(B(O)O)cn2)CO1	1976356505	GYFJYHJHORQHHJ-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
Cc1ccncc1[C@@H](C)NC(=O)C(=O)NN	1976568525	VHJUAOPJSSOUHX-SSDOTTSWSA-N	222.248	-0.443	50	10	BBGE	
C[C@H]1CCCN1CCn1ccc(B(O)O)n1	1977062491	PJLWNRSAWHSBOK-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCC[C@H]21	1978773122	AIZSMZYVFYNCPW-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(=O)N[C@@H]2CC[C@H]21	1980222192	DGIVGVGGBYQMDG-PHDIDXHHSA-N	245.666	-0.576	50	10	BBGE	
CN(CCCn1cccn1)CCC(=O)NN	1980759863	JIWYVAPXNMTOBA-UHFFFAOYSA-N	225.296	-0.415	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CCCOC2)C1	1981044915	FIDXQFQMTHHDNR-NSHDSACASA-N	227.308	-0.131	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ncc(B(O)O)cn1)C2	1981412651	XCIRDVUQHNPCTL-XVKPBYJWSA-N	219.053	-0.997	50	10	BBGE	
CN(Cc1cccn2cnnc12)C(=O)NN	1983537162	GPPCETJWJCZCLB-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2O	1984030263	CTRABBICDJSJBA-RYPBNFRJSA-N	227.308	-0.544	50	10	BBGE	
CC(C)(CN1CC2(CC[C@H]2O)C1)C(=O)NN	1984542235	IORPDNDOVJCMMY-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
COC1CC(CCn2cc(B(O)O)cn2)C1	1987332437	OWSVEKUHUQMYEJ-UHFFFAOYSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)C2(CC2)C1	1987899663	LEPOKCNJXMIZMQ-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
Cc1ccnnc1CN(C)CCC(=O)NN	1989767086	WHXPXGUJPRYGLU-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2nc[nH]c12	1989795466	HOCCUHUILFEMQK-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCO[C@H]1C	1990775228	SUCZFISFESJYAA-CBAPKCEASA-N	229.280	-0.737	50	10	BBGE	
CCCN(C(=O)C(=O)NN)C1CCOCC1	1991764183	XGPJYZGMLNYDBV-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
C=C(CN(C)C[C@H]1[C@H]2OCCC[C@H]12)B(O)O	1992145700	NORBDIPKAFVKJS-MXWKQRLJSA-N	225.097	-0.089	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)n1	1995618930	OGRNBYZYMFYQOY-WOCMDNMUSA-N	237.089	-0.144	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2C[C@@H]2C1	2000208304	DHDAHARAJKGRQU-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN1C(=O)CC(F)(F)CC1=O)C(=O)NN	2001019069	XSBLGMGICAEJDW-RXMQYKEDSA-N	249.217	-0.603	50	10	BBGE	
CCC[C@H](COC)N(C)CCOCC(=O)NN	2001430110	XDAAAMROLPTSSO-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CCOC(C)(C)COc1ccc(B(O)O)cn1	2004952774	TVPIIRHNAZDYGW-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
COCCCCCn1cc(B(O)O)ccc1=O	2008840014	GBEZPVNBEZFXKM-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccc([N+](=O)[O-])n1	2008868398	VPZGGDFVBPMLNM-UHFFFAOYSA-N	249.177	-0.193	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC[C@@H]2CO)C1	2010832345	HKIDHDLRPLNGPI-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]12COC[C@H]1C2	2019208333	GFGZXDGDXZQWFZ-MWLCHTKSSA-N	241.291	-0.878	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CN(C)C	2019219280	LHMOJFRSXZIDMN-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@]12COC[C@H]1C2	2020067969	MXTASZYBAJDSSU-BCMRRPTOSA-N	237.064	-0.760	50	10	BBGE	
C[C@H](C(=O)NCC#CB(O)O)c1ccccc1	2021165181	SAFBFFYOKFEOKQ-JTQLQIEISA-N	231.060	-0.078	50	10	BBGE	
COCCN(C)C(=O)c1ccccc1B(O)O	2022196660	PHHQOJZQPHGQMX-UHFFFAOYSA-N	237.064	-0.915	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@@H]2C2CC2)nc1	2022580950	ZJNOQEDCXNRAHU-PSASIEDQSA-N	234.064	-0.419	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H]2COC[C@H]21	2052493104	BBGHICXFMRAEIR-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)C(C)(C)C1	2052499308	QXQBCFNPCZSCHA-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
COc1cc(C#N)c(B(O)O)cc1OC	2060284290	BMTAYWHCJMGCCE-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)OC[C@H]1C	2210631255	KHWJVRHQQWPYRU-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
CC[C@H](OC[C@@]1(C)COCCO1)C(=O)NN	2211982303	HODSFFSRGSNFJZ-WCBMZHEXSA-N	232.280	-0.423	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@@H]2CO)CCC1	2212264554	AUPYRQCOEGLLGS-SECBINFHSA-N	225.292	-0.621	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C[C@H]1C[C@H]1C(=O)NN	2213352614	GAWFNHVCGMKDLJ-GPTQDWHKSA-N	239.319	-0.542	50	10	BBGE	
Cc1nc(OC[C@@]2(F)C[C@@H]2C)ncc1B(O)O	2214487434	ANQLBRCTNFDATG-WKEGUHRASA-N	240.043	-0.408	50	10	BBGE	
CN1CCC[C@@H]1COc1ncccc1B(O)O	2215828512	KHBQVAXUQKHMIL-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1CC1(C(=O)NN)CC1	2216200429	UTASVMIYUVXZOI-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
NC1(CCCOc2ccc(B(O)O)cn2)CC1	2217171585	FCUWDEAXVLRQGC-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@H]1C[C@H](COc2ccc(B(O)O)cn2)CN1	2217173777	QKOWLLDJOOUBGQ-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
CCNCCCCOc1ccc(B(O)O)cn1	2217173876	RMISLTLVJCXYRW-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
CO[C@@H]1C=CCN(c2ncccc2B(O)O)C1	2217175706	MKFWAXSTARRWAY-SECBINFHSA-N	234.064	-0.847	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H](O)CC2)c1	2217176115	RMZCLGXSABMAPO-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
C[C@@](O)(CNc1ncccc1B(O)O)C(F)F	2217178065	RBGWHWJRGWLFBU-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@@H]2CO)cc1B(O)O	2217180978	MSBLBRHLQUTCPT-RKDXNWHRSA-N	236.080	-0.890	50	10	BBGE	
OB(O)c1cnc(=NCc2ccc(F)cc2)[nH]c1	2223633350	VQAMEIZGFXQDLB-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
Cc1cnc(NC[C@@H]2NCC2(C)C)cc1B(O)O	2223643713	ZGVCEMCCCSCJSK-JTQLQIEISA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1cccnc1NCCN1C[C@H]2C[C@@H]2C1	2223648325	JYQKETZQDQZTSL-NXEZZACHSA-N	247.107	-0.875	50	10	BBGE	
Cc1cnc(NC[C@@]2(C)CCCN2)cc1B(O)O	2223651613	YCYGEHFVRXYNIT-GFCCVEGCSA-N	249.123	-0.376	50	10	BBGE	
C[C@H]1CCCN(c2ncccc2B(O)O)[C@@H]1CN	2223665977	JLKZFLIQBOBBIX-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)c1ncc[nH]1	2223667900	SSADRQARUFUWSH-QMMMGPOBSA-N	247.067	-0.557	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCO[C@H]2C2CC2)nc1	2223674516	QFJOLFPSWOHLNV-JQWIXIFHSA-N	248.091	-0.259	50	10	BBGE	
C[C@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241354469	YRECUKQZAGGWRJ-RXMQYKEDSA-N	228.701	-0.875	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1CC[C@H]1O	2242403378	OGQQNDGPLIWGIK-RQJHMYQMSA-N	218.278	-0.590	50	10	BBGE	
NC[C@H](N[C@H]1C[C@H](Br)C1)C(=O)O	2242408712	WWWODHRREOEDKA-ZLUOBGJFSA-N	237.097	-0.086	50	10	BBGE	
C=C(CN(CC)CCN1CCCC1)B(O)O	2242845987	ZVUVQQDYNWVHJO-UHFFFAOYSA-N	226.129	-0.028	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2243357014	QBIUNJFNKNYPQQ-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1ccc(B(O)O)s1	2243362274	OVAXZUCUVKBXFN-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
CCC[C@H]1C[C@H]1CN(C)C(=O)C#CB(O)O	2243362318	PHVJGFDLWHIKAK-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)C1(B(O)O)CC1	2243363569	IYXZXCYDRZEQKM-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)NCCF)c1C	2243378046	LSIDLCFDVYLSEQ-UHFFFAOYSA-N	245.084	-0.256	50	10	BBGE	
Cc1cc(C(=O)NN2CCC2)c(B(O)O)s1	2243378626	WSMUPWUXAHDWRL-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)sn1	2243378691	XUNDTDPKFFVILD-VDTYLAMSSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243391249	IFMCSZBCYOGQFG-LURQLKTLSA-N	226.085	-0.955	50	10	BBGE	
CCOC1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243395731	BFHNUNIAQKWUTA-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243395833	CIOOKYDGKOMBKU-UYXSQOIJSA-N	227.069	-0.610	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCCO1	2243396909	SKWXBQAFSQVZCR-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2)sc1B(O)O	2243409131	BMTIRHKLYQZQHU-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)C1)C1(B(O)O)CC1	2243410559	DGLKEUAAZJOPAU-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H]1B(O)O	2243415346	SLKBIRKDQLXTNZ-QMGXLNLGSA-N	225.053	-0.715	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(B(O)O)co1	2244222992	YDAAUQVKFXIIMW-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C=C[C@H](C)CCN=c1cc(B(O)O)cc[nH]1	2245058435	QQRWWQVWEFYAHT-VIFPVBQESA-N	220.081	-0.193	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3C[C@@H]32)n1	2247233452	PTQKDPNAUVOZFQ-APPZFPTMSA-N	234.064	-0.631	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC2C[C@@H]3C1[C@@H]3C2	2247746528	AIBOOIDQZXWNIA-XIYHTJDTSA-N	233.076	-0.495	50	10	BBGE	
O=C(N1CC2(CCNCC2)C1)C1(B(O)O)CC1	2247753931	KKPNVCNUXAFIRP-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
CCN(CC)C(=O)c1cccc(F)c1B(O)O	2247757477	JSURFRQSLLWPCD-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
CCC(CC)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247783199	AVTQPVDJLPRKDL-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)C2CC(B(O)O)C2)C1	2247797008	FMFTYLODPWPMJD-RTBKNWGFSA-N	240.112	-0.598	50	10	BBGE	
O=C(NC[C@@H]1CO[C@H]2C[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2247804151	FLVMFYYMUHRCHP-HOTMZDKISA-N	239.080	-0.610	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805157	JRQOVVVOIZOKDF-JBDRJPRFSA-N	240.112	-0.519	50	10	BBGE	
Cc1noc(C)c1CN(C)C(=O)C#CB(O)O	2247849049	UMKFOOBOMWOLPD-UHFFFAOYSA-N	236.036	-0.735	50	10	BBGE	
CC=C=CCCNC(=O)c1cc(B(O)O)c[nH]1	2247850652	RCIRKORWSQURMT-UHFFFAOYSA-N	234.064	-0.454	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247855001	MASFHYQDMKVLFS-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
C[C@@H]1CN(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247859791	PKDMVVFJIHJYLQ-BBBLOLIVSA-N	240.112	-0.741	50	10	BBGE	
O=C(NCC1CC=CC1)c1ccc(B(O)O)o1	2247869080	LRJGCTRGESDRFJ-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1occc1B(O)O	2247877311	GDAOUECWMKJSFD-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCOC1	2247894986	MWTKXECAIYLQIT-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247902863	HXSYSEFCIBDVDE-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
Cc1cc(OCC(=O)NCC=CB(O)O)no1	2248402366	VZIJAOOCLUGFBS-UHFFFAOYSA-N	240.024	-0.954	50	10	BBGE	
CC=CC(=O)NCc1cc(B(O)O)ccc1F	2248416881	ZYJGVEGDBALPAS-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)C(C)(C)C(=O)O	2248588009	XWBVEJVMUBZOQB-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)oc2C)CC1	2249995421	RBDPVGSIWFADHJ-UHFFFAOYSA-N	233.032	-0.837	50	10	BBGE	
COCCC1(C(=O)NCCC#CB(O)O)CC1	2250004720	OGKLSYPVJIIICS-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)CCN(C)C	2250967131	AAAFQTQJMJFHKS-NXEZZACHSA-N	246.355	-0.737	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Oc1ncccc1B(O)O	2251025106	LYJCUJVARAPUTN-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2c(c1)CCO2	2255465951	REINEVDQEAOJEW-UHFFFAOYSA-N	245.043	-0.747	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1C	2255512043	TUHXCHVLFZBAJM-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
C#CC1(CNC(=O)c2cc(B(O)O)oc2C)CC1	2255719996	OSZPEDUGLACQKQ-UHFFFAOYSA-N	247.059	-0.589	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1coc(B(O)O)c1	2255732276	SFGOCHVOJDJJLD-PSASIEDQSA-N	249.075	-0.265	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(C)cc1B(O)O	2255735848	BZMBKYYRFDXBIZ-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2cccnc2C1	2261368133	DFFKXSBPBWSBHS-NXEZZACHSA-N	246.075	-0.171	50	10	BBGE	
O=C(N1CC[C@@H]2[C@H](C1)[C@@H]2CO)C1(B(O)O)CC1	2298374857	AEGQFFPJAZOKOU-HRDYMLBCSA-N	239.080	-0.920	50	10	BBGE	
CN1CC(COCc2cc(C(=O)NN)no2)C1	2299039451	FGUKEKNXNHDAMK-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
C[C@]1(O)CCN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300375914	ZJQCXYBKMPJSIZ-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@@H]1COCC1(C)C)C(=O)C#CB(O)O	2301150032	JBFWGGNYQZPMBC-SECBINFHSA-N	239.080	-0.867	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	2302208753	ZFVXAFAYOSJTEK-AEJSXWLSSA-N	239.319	-0.134	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3CC[C@@H]3C2)ncc1F	2303847348	HWSZNVVPCQFWAL-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
OCC1(CNc2cc(B(O)O)c(F)cn2)CC1	2303847351	HWVICUIPSZIZJU-UHFFFAOYSA-N	240.043	-0.915	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CC2(C(=O)NN)CC2)[C@@H]1C	2304213475	RIDWCJUMBSOQCN-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H]1CO	2317150059	ADWQHHKWJKRMNJ-LDYMZIIASA-N	246.075	-0.579	50	10	BBGE	
CCOC(=O)N/N=C/N(C)C(=O)NC	34408654	KTTVVQWQTPHZNW-WEVVVXLNSA-N	202.214	-0.053	50	10	BBGE	
CCCOC[C@H]1CC[C@@H](C(=O)NN)O1	82464974	JNCXBJPEVQLARA-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H]1C	82467541	ZESMCDLSJLZNPZ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(N)CC1	82470844	LYFFUNPSWJDKNW-QMMMGPOBSA-N	200.286	-0.822	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)CC(=O)O	85158165	QJLKNOUPZVGXHY-YFKPBYRVSA-N	234.277	-0.250	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ccnnc1	131429229	HAUNGQPBMFDIJA-UHFFFAOYSA-N	234.137	-0.200	50	10	BBGE	
CCc1nnc(C)cc1C(=O)NNC(N)=S	132678163	DVMQFLCHYXXQHM-UHFFFAOYSA-N	239.304	-0.175	50	10	BBGE	
NC(=O)CNS(=O)(=O)CCCCCl	162545241	IQYVFDPHVPUZFJ-UHFFFAOYSA-N	228.701	-0.590	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O	195851743	MQHXRECXBSFFAH-YIZRAAEISA-N	228.101	-0.637	50	10	BBGE	
OB(O)c1ccccc1Cn1ccnc1	203169272	MDSOBFNIGCFADV-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
Cc1cnc(=O)n(Cc2cccc(B(O)O)c2)c1	203344738	GANOLSQVJFFOEI-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1ccc(=O)[nH]n1	228950317	GRXOSXCNLTUHAD-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
COC[C@@H](Oc1cccnc1)C(=O)NN	232418262	LCBYMEFBFMGMHL-MRVPVSSYSA-N	211.221	-0.535	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	234837775	CHGNBQMSGQNNNR-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCN1)c1ccc[nH]1	238102012	OMOSQUKJGAMCGO-QMMMGPOBSA-N	222.248	-0.472	50	10	BBGE	
NC(=S)NCCC(=O)NCCCCl	244015876	SNOHPFKZBBZLFD-UHFFFAOYSA-N	223.729	-0.045	50	10	BBGE	
CN(C)NC(=O)C(=O)Nc1cccc(N)c1	309209590	FJFDOALTJLZHQX-UHFFFAOYSA-N	222.248	-0.200	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1nncn1C	309230005	SRUUIFPBIITOJL-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](OC)C[C@H]1CO	310117692	HMIFMUOMEDPODF-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H]1O	379698130	JJWKYZOFMDXOSV-XDQCBXAXSA-N	236.340	-0.335	50	10	BBGE	
COC[C@@]1(C(=O)O)CCN(C(=O)NN(C)C)C1	379757305	YJCHZSZJXSGXTQ-SNVBAGLBSA-N	245.279	-0.404	50	10	BBGE	
CCN(C[C@@H](C)OC)[C@H](C)C(=O)NN	383037057	IHKPIMDJCZMHIA-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C(C)(C)CO	386942001	HNPZTZXUVRTBCQ-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
O=C(CCC1CC1)Nc1cccc(B(O)O)n1	404984444	SVZBNRYASVIZHO-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@H]1SCCN(CCCC(=O)NN)C1=O	691049882	LMMVBTKUFCXVMT-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
OB(O)c1ccn(CCOc2ccccc2)n1	694311554	YEZBOHNAXLSILV-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2CC1(CO)C2	694582624	GZYARUDHAUUIMF-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)[C@@H](CO)C1	699455070	HLJWVOZFEBCQRI-DTWKUNHWSA-N	217.700	-0.274	50	10	BBGE	
NC(=S)NNC(=O)CCc1cccnc1	700876173	HAOBYKVYXSJCRG-UHFFFAOYSA-N	224.289	-0.121	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CN(C)C(C)(C)C1	703353634	ZEVOZHXAUBOMFU-BDAKNGLRSA-N	228.340	-0.221	50	10	BBGE	
COC1CC(C(=O)Nc2ccccc2B(O)O)C1	703389855	IIBLTGWWURMVRG-UHFFFAOYSA-N	249.075	-0.270	50	10	BBGE	
Cn1cnnc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703425340	MUOJQYTZSJXXKJ-BQBZGAKWSA-N	236.231	-0.769	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@H]1[C@@H](C)O	708480642	BAAGRJVJVNKMAZ-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C=CCS(=O)(=O)N1CCOC[C@H]1N=C=O	710935677	YAAVNQZHBNVMHU-QMMMGPOBSA-N	232.261	-0.504	50	10	BBGE	
NNC(=O)c1coc(COCCOC2CC2)n1	711961821	WERDXNDKLRQQCO-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
O=C=N[C@H]1COCCN1S(=O)(=O)C1CCC1	717787425	APBQNZJNUNNWPR-SECBINFHSA-N	246.288	-0.137	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@]1(C)CO	723001660	ZXZZUEBHVAWWBY-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CCCNC(=O)NNC(=O)Cn1ccnc1	746171200	OOPKSAJBSJGDDQ-UHFFFAOYSA-N	225.252	-0.377	50	10	BBGE	
Cc1cnc(C(=O)NN(C)C(N)=O)c(O)c1	779039263	BKQYZFZFPBLDAY-UHFFFAOYSA-N	224.220	-0.249	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)C(C)(C)O	832749696	LTFNOFQNCOBPMG-ZCFIWIBFSA-N	213.237	-0.546	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccncc1	854119253	UQOOYGIAEJPHQW-MYJAWHEDSA-N	247.254	-0.265	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)c1ccnnc1	854968275	DMDLMPPAEIMMPX-UHFFFAOYSA-N	232.243	-0.103	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNc1ccncn1	868645995	KCHYNWKCIUQYBT-SECBINFHSA-N	249.274	-0.069	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@H](O)C(C)(C)O	907697094	GFBAAYOVKBNPEE-QMMMGPOBSA-N	239.275	-0.035	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)[C@@H](C)CO	911445519	XJSIHXGPXHPGAO-VEVSIANRSA-N	202.254	-0.733	50	10	BBGE	
CN(C)c1cnc(C(=O)NNc2nc[nH]n2)cn1	1161431342	DCMQFYHOVMHMOP-UHFFFAOYSA-N	248.250	-0.582	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@@H]1C	1318943211	UQICVVZMTXKXDQ-WDSKDSINSA-N	229.236	-0.854	50	10	BBGE	
CN(NC(=O)/C=C\[C@H]1CCOC1)C(N)=O	1466167869	NYKQAZQJUBCESX-XDVGHUOJSA-N	213.237	-0.379	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNc1ncccn1	1540750910	GTFQRAHCLYUEQJ-PLNGDYQASA-N	235.247	-0.436	50	10	BBGE	
Cc1cnc(F)c(C(=O)NNC(=O)CO)c1	1558958139	NDFKARPUKWWKOR-UHFFFAOYSA-N	227.195	-0.718	50	10	BBGE	
Cc1nnc(NNC(=O)c2ncn(C)n2)n1C	1641056939	DGVFNNIGXYMLSV-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
NC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1Br	1877359667	MPHMASQJBVYSLS-PBXRRBTRSA-N	237.097	-0.794	50	10	BBGE	
C#C[C@H](CCl)NCC1CS(=O)(=O)C1	1881931235	AOVXZEGAHAAHQH-MRVPVSSYSA-N	221.709	-0.139	50	10	BBGE	
O=C(CCl)N1CC2(CC[C@@H](CO)O2)C1	1887147711	YSJDEAKYDBOSIG-ZETCQYMHSA-N	219.668	-0.023	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NNCCO	1889149617	ARNJYAQRIIHPTB-SSDOTTSWSA-N	204.270	-0.197	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@@H](C)C(=O)NN	1890042966	LYGBLZCSXLPVHS-YUMQZZPRSA-N	203.286	-0.687	50	10	BBGE	
C[C@@H]1C[C@H]1OCc1nc(B(O)O)cs1	1891824101	RXONDFALLFMOSA-PHDIDXHHSA-N	213.067	-0.252	50	10	BBGE	
CO[C@H](C(=O)O)C(=O)NC[C@H]1C[C@@H]1Cl	1893108299	RMORWIQBMCQGQK-SRQIZXRXSA-N	221.640	-0.171	50	10	BBGE	
COC(=O)[C@@H](N)C[S@](=O)C[C@@H]1C[C@H]1Cl	1893117503	AZBJDFGTSQATQS-PLGCSXQWSA-N	239.724	-0.137	50	10	BBGE	
Cn1cnc(CN2CC[C@](C)(B(O)O)C2)n1	1902544035	ADFMNRHOWISQST-VIFPVBQESA-N	224.073	-0.746	50	10	BBGE	
OB(O)c1cc(=NCCCCF)[nH]cc1F	1903005507	HTVGHHBQARPOPC-UHFFFAOYSA-N	230.023	-0.516	50	10	BBGE	
COC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1C	1907421601	DDLKKWOQDFEYQO-VPOLOUISSA-N	241.335	-0.173	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1[C@@H]2OCCN[C@@H]21	1909272011	FWAUHRQZMVKOSZ-PGDQVTRHSA-N	230.695	-0.141	50	10	BBGE	
CC(=O)N[C@H](CNC1CC(Cl)C1)C(=O)O	1909297284	YGANBNLSJREPFA-KAVNDROISA-N	234.683	-0.065	50	10	BBGE	
CN(Cc1occc1C(=O)NN)S(C)(=O)=O	1913517962	LKTSUDAEXRFOOI-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
CN(C(C)(C)C(N)=O)S(=O)(=O)CCl	1915508089	ZONLVSWLHAOSDF-UHFFFAOYSA-N	228.701	-0.292	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC(O)CC1	1927914023	PUXLFMDFFOXEQH-VXNVDRBHSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1929071963	ZFSRAAAIDKNSEQ-FTLITQJKSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@H](F)C2)CC1	1931265283	MVQUJHXEBQERIF-KNVOCYPGSA-N	219.235	-0.252	50	10	BBGE	
NNC(=O)C1(CSCCCO)CC1	1931266632	IKVLKPRRDRGQRB-UHFFFAOYSA-N	204.295	-0.128	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@]1(C)C1CC1	1936114307	WUWPBASMFHSCTD-KCJUWKMLSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1937052884	IWMRIRQTRDTCCD-NGZCFLSTSA-N	227.308	-0.685	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H]2[C@H](C(=O)O)[C@H]21	1938152907	HBLNPPBMAAYWHJ-CSMHCCOUSA-N	227.264	-0.032	50	10	BBGE	
CC[C@]1(C)CC[C@@H](CNC(=O)C(=O)NN)O1	1939085877	SSNJHUOUPJJCDY-OIBJUYFYSA-N	229.280	-0.560	50	10	BBGE	
COC[C@@H]1CCCCN1CCOCC(=O)NN	1941771982	BWKSFUTTXBYJTL-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H](C)CN(C)C	1941777165	WBTIVGSKVMCWLR-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN(C[C@H](C)C(=O)NN)C[C@H]21	1944578130	IJKPIBOOUKPVMB-LNFKQOIKSA-N	241.335	-0.173	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H](O)C2(CC2)C1	1944707404	ACQXHXBCJGOZST-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC[C@@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	1945889213	NCRVHITVEMMTRV-GFCCVEGCSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)CCOCC(=O)NN	1947074699	WVDVPEZROCODKJ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
Cc1c(CN(C)CCCC(=O)NN)cnn1C	1947411082	JWNFLOJRJKTZCC-UHFFFAOYSA-N	239.323	-0.070	50	10	BBGE	
CN(CCCCl)[C@H]1CC(=O)NC1=O	1954036992	NPOHBKFOZZSMSM-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CC2(CC2)CO1	1957615828	IDJUINRGXPWWFE-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
O=C(NNCCO)c1ncoc1C1CC1	1958688030	DHMWNCOMZBHOSO-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2cnn(C)c2C1	1961009191	LROXREHVTAIYLQ-ZCFIWIBFSA-N	209.253	-0.886	50	10	BBGE	
Cc1cc(CN(C)CCC(=O)NN)no1	1961493637	SPDWTWYTGKLBKD-UHFFFAOYSA-N	212.253	-0.205	50	10	BBGE	
C=C1CON(C(=O)c2cccc(B(O)O)c2)C1	1962789935	LOZUAHPPXQCEJA-UHFFFAOYSA-N	233.032	-0.690	50	10	BBGE	
CCSCC(=O)N1CC[C@@H](B(O)O)C1	1964509900	GGDGJHHZYHXQEY-SSDOTTSWSA-N	217.099	-0.185	50	10	BBGE	
CC(=O)N(C)CCN(C)S(=O)(=O)CCl	1970172234	DQQBOMGQONSACF-UHFFFAOYSA-N	242.728	-0.077	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)CCC(=O)NN	1974927873	WWMGAWQYCACRRR-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H](CF)C1	1981248409	LKDRYNQAYUYXEL-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
C[C@H]1COCCN1CCC(F)(F)C(=O)NN	1984129258	AWKGQJLVFKCCNO-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](O[C@H]1C[C@H](n2ccnc2)C1)C(=O)NN	1986220718	BXXCZWCLWHNXNQ-IWSPIJDZSA-N	224.264	-0.018	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCn1ccc(B(O)O)n1	1987334951	GTNFLRRFCUFLTG-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
CO[C@H]1C[C@H]1COc1ccccc1B(O)O	1987768105	AUDONUVKSJSFKP-KWQFWETISA-N	222.049	-0.220	50	10	BBGE	
OB(O)c1cnn(C[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1	1989170173	FTGGZJSXEIXEJB-MFOSBRBKSA-N	218.065	-0.535	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(C)cc1N	1989371461	QYEOICXAPQNOAN-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C)(F)CC1	1990774826	NTJWDIJDHMRZLA-UHFFFAOYSA-N	231.271	-0.022	50	10	BBGE	
C[C@H](C(=O)N[C@H]1CCC=C1B(O)O)N(C)C	1991331314	ZMEKAUZVYSSXOS-APPZFPTMSA-N	226.085	-0.847	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1COCC1(F)F	1991601617	GWNHATQIIRZRDA-FSDSQADBSA-N	236.218	-0.337	50	10	BBGE	
CN1CC[C@](O)(CNC(=O)C=CC(=O)Cl)C1	1991653925	FHIAHMMRLYSPLY-JTQLQIEISA-N	246.694	-0.509	50	10	BBGE	
C[C@H]1C[C@@H]1COc1ncc(B(O)O)cc1F	1993081703	UYILOJYYTCOHGJ-NKWVEPMBSA-N	225.028	-0.065	50	10	BBGE	
CC1(C2CC2)CN(c2ncccc2B(O)O)C1	2004936431	ZGKKBPOXAVBUJR-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@]1(C)CCOC1	2006839379	BWHZRWZVUHEEPU-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCO[C@H]1C	2008385918	JFKKABUCKDEHTK-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@H]1CN2C	2013678029	UUYCHFISYSJYEP-MMWGEVLESA-N	240.351	-0.221	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@H]2C[C@@H]2F)n1	2014736582	YFDBDZCOYZCGKA-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@H]2C[C@H]21	2016676055	RZDZJAWASBQYHC-LPEHRKFASA-N	233.076	-0.426	50	10	BBGE	
CC[C@H]1COCCN(CC(=O)NNC(C)=O)C1	2019220547	ZHQROAUMOZCLGN-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(F)cc1F	2021164830	MZTTVOVTURBDKS-UHFFFAOYSA-N	238.986	-0.290	50	10	BBGE	
O=C(NNCCO)c1nnc(O)c2ccccc12	2031838560	CWYQRQNCEUMERI-UHFFFAOYSA-N	248.242	-0.438	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1c1ccncc1B(O)O	2052498321	BZQJBYQEPOTIDN-KOLCDFICSA-N	249.123	-0.710	50	10	BBGE	
N#Cc1ccc(C=O)c(Cl)c1B(O)O	2060092163	RIKTWQAVAZABOJ-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(F)c1B(O)O	2060099624	ABNQDYUABORCKC-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
Cc1cc(OC[C@H]2[C@H]3COC[C@H]32)ccc1B(O)O	2068630872	ZMHYXVAEHTVPFV-ZSBIGDGJSA-N	248.087	-0.054	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccn2nncc12	2076082826	XVKLHDKJFRJCGF-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
Cc1cc(B(O)O)c(CNC(=O)F)s1	2209920417	IMNKUGVPFYXBAC-UHFFFAOYSA-N	217.030	-0.085	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@H]2C1=O	2211799518	ZGGNANSBIQYDEQ-JQCXWYLXSA-N	223.276	-0.519	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1O[C@H]2C=C[C@H]1C2	2211838045	BLTQWFGGDWKMOJ-XKNYDFJKSA-N	223.276	-0.053	50	10	BBGE	
COC(=O)CSc1cc(B(O)O)c(C)cn1	2212599362	HTJGQSVEQZSLIB-UHFFFAOYSA-N	241.077	-0.665	50	10	BBGE	
C[C@@H]1CCC(=O)N1Cc1cccc(B(O)O)c1	2214596865	RNXQDTHWOHFHAO-SECBINFHSA-N	233.076	-0.123	50	10	BBGE	
C[C@H]1CC[C@H]1CN(C)c1ncc(B(O)O)cn1	2215007249	YDKNVGNUEZSRCL-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
CN1CC(CN(C)C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215774514	XKYXLMCCYJJVER-QWRGUYRKSA-N	240.351	-0.504	50	10	BBGE	
CCN1CC[C@H](Oc2ccc(B(O)O)cn2)C1	2216511448	ZKRALNFYLDWDIV-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccnc(-n2ccnc2C2CC2)c1	2217169147	CBNBJTSHYKDLKX-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
CC(C)[C@H]1C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217180943	MGPLSJHSAFEPCL-GXSJLCMTSA-N	234.108	-0.113	50	10	BBGE	
C[C@H](N)C(C)(C)COc1ccc(B(O)O)cn1	2217183557	JIFHCFNRGSIPPO-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccnc(OCCn2ccnc2)c1	2217190102	LHXOKRRHSLJOHB-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
C[C@H]1CCNC[C@H]1Oc1cc(B(O)O)ccn1	2217194604	WZRUQOYWNZRXDL-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
C[C@](CN)(Nc1ccc(B(O)O)cn1)C1CC1	2217201071	WUEWJWREUWVKPH-LLVKDONJSA-N	235.096	-0.699	50	10	BBGE	
CC(C)(C)[C@H](O)CNc1ccc(B(O)O)cn1	2217201086	NZYHLAZGTPMSQM-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
Cc1nc(COc2ccccc2B(O)O)nn1C	2220975259	KUTBIBFFGSBMKK-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
OB(O)c1ccc(NC2CC3(CCOC3)C2)nc1	2223632853	OUZBDFCAFGYKID-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cnc(NC[C@@]23C=C[C@@H](CC2)C3)nc1	2223638762	ZDJDXZWZQDZRMM-CABZTGNLSA-N	245.091	-0.075	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c1F	2223651509	XNTUIMBUNXHSEZ-AZQAYCESSA-N	248.066	-0.255	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)c(C)cn2)no1	2223651872	ZJOOGBJUQKYIEQ-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3)c1	2223653033	HNKASGPJHRTBGY-URLYPYJESA-N	248.091	-0.577	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3CC[C@H]2N3)c1	2223657799	GDDRJYOYVGRWHZ-GMTAPVOTSA-N	248.091	-0.577	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNC[C@H]2C2CC2)c1	2223662422	OTNXLNPKVAKZTG-WDEREUQCSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(NCCN2C[C@H]3C[C@@H]3C2)c1	2223675333	VNKYJYLJRKSXRU-NXEZZACHSA-N	247.107	-0.875	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CC[C@H]1CO	2241331530	LLOAOCDEFOAEIR-ZETCQYMHSA-N	240.712	-0.779	50	10	BBGE	
CCN(C)C(=O)c1cscc1B(O)O	2241471692	KWPANZNMCPGVHG-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)c(Cl)s1	2241496297	RDVFVKXRKQTKAM-UHFFFAOYSA-N	233.485	-0.169	50	10	BBGE	
Cc1sc(C(=O)NO)c(B(O)O)c1C	2241584144	JWKJJKJGOXYOJZ-UHFFFAOYSA-N	215.039	-0.836	50	10	BBGE	
CCN(CCF)C(=O)c1occc1B(O)O	2243364575	ZFIFZLVBBRRPDR-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1csnc1B(O)O	2243378184	OCQATMQSCCRHBM-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
O=C(NOCCC(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2243392475	UMYMMYVBSRLUDZ-UHNVWZDZSA-N	240.974	-0.151	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2243395667	AOCBQSYOSIUTDZ-RYPBNFRJSA-N	227.069	-0.467	50	10	BBGE	
O=C(NCCSCCCO)[C@H]1C[C@@H]1B(O)O	2243396916	SLSABGOZAHDEFQ-YUMQZZPRSA-N	247.125	-0.919	50	10	BBGE	
COC1(C)CN(C(=O)C2CC(B(O)O)C2)C1	2243403725	BSVBRRYDPMUGFR-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
CC[C@]1(C)CC(=O)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243404528	PQURKEZRIYBNLG-MHYGZLNHSA-N	225.053	-0.223	50	10	BBGE	
CCNC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243413445	GJTPNTWCRXCBCW-OCAPTIKFSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243414583	DHBLAEZKGJRLGD-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@H]21)B(O)O	2243433639	OJDHBHTYYRPAOL-XHNCKOQMSA-N	245.109	-0.728	50	10	BBGE	
Cc1nc(CC(=O)NCC=CB(O)O)cs1	2243684510	AVNIILMODAAPEH-UHFFFAOYSA-N	240.093	-0.322	50	10	BBGE	
C=CC(=O)N1CCc2cc(B(O)O)ccc21	2243684651	DPTOWTOWKPPGKZ-UHFFFAOYSA-N	217.033	-0.559	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1nscc1B(O)O	2244149444	JIHLJHIGYFWNPJ-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
COc1cccc(NC(=O)C#CB(O)O)c1F	2247740545	MDALWGLCOKDBEL-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@@H]2CC=CC[C@H]2C1	2247742528	PWJOHSGTOZFSIT-UWVGGRQHSA-N	233.076	-0.137	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247746536	AIZHLFNWSKSWIM-CBAPKCEASA-N	236.080	-0.387	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NCC(F)F	2247751861	DJDCULPMMYEULZ-UHFFFAOYSA-N	246.022	-0.817	50	10	BBGE	
COCCC1CN(C(=O)C2(B(O)O)CCC2)C1	2247754606	NQJCNYPWPPTVEC-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)cn2C)CC1	2247765447	ZFALBHMPYPLCNB-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@H]1C1CC1	2247791911	PMHPDUOSXPAFAQ-UTLUCORTSA-N	239.080	-0.513	50	10	BBGE	
CCn1ccnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247793374	XJXDJMYRMQPVLK-YUMQZZPRSA-N	237.068	-0.618	50	10	BBGE	
NC[C@@H]1CCCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247808436	KWYYUNHVNUAXMV-LPEHRKFASA-N	240.112	-0.563	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247846787	MEFOLYOLBZUOGX-ZCFIWIBFSA-N	246.022	-0.532	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CCC2)no1	2247854243	ZEWGFNWRRVFCFO-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1coc(B(O)O)c1	2247871535	CUAURVVGZMEOMP-FKQCQYRASA-N	241.027	-0.563	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1CC1(C)C	2247878109	HUGSFJDTDBCBGW-MRVPVSSYSA-N	237.064	-0.170	50	10	BBGE	
CN1C[C@H]2CN(C(=O)C3(B(O)O)CC3)C[C@@H]2C1	2247878973	OQRZSYYILQQSQQ-IUCAKERBSA-N	238.096	-0.987	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CN1)[C@H]1C[C@H]1B(O)O	2247886561	CSKQWFQMYWKXJS-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CN1)[C@@H]1C[C@@H]1B(O)O	2247886562	CSKQWFQMYWKXJS-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CC12CC(NC(=O)[C@H]3C[C@H](B(O)O)C3)(CO1)C2	2247894870	LRQSCXCDVJIETN-KYNLDKJUSA-N	239.080	-0.323	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCOC1(C)C	2247898545	FLSSMNJJMASANO-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
C=C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247910068	MTTXYPINCKWZMY-UDNWOFFPSA-N	239.080	-0.347	50	10	BBGE	
CC(C)N(CCCC(=O)O)C(=O)C#CB(O)O	2248577765	PGKDTRONJTUMEF-UHFFFAOYSA-N	241.052	-0.896	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1cc(B(O)O)co1	2249406601	FXDFZUXVOOUSHO-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@H]21	2249416309	PPDWNEJVWFBWED-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NCCC#CB(O)O)O1	2250006448	LMVWODDEXANAIS-UWVGGRQHSA-N	239.080	-0.534	50	10	BBGE	
COCCN(C[C@H](C)O)[C@H](C)CCC(=O)NN	2250551086	FQKBSLFRLKNZNP-ZJUUUORDSA-N	247.339	-0.526	50	10	BBGE	
O=C(NC1CC=CC1)c1cccc(F)c1B(O)O	2255501999	VCUJJOMGZNOPPG-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ncncc1B(O)O	2255502002	OWQJYXGJVUJOBI-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2255569951	AWDQKTAXUCDYNL-QWRGUYRKSA-N	248.091	-0.210	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)ccc1C	2255734443	AXAQMSFMKGHQQL-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1cc(OC2(C3CC3)COC2)ncc1B(O)O	2260136671	OPYSNILUKGBRGW-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CC2)c1n[nH]cc1B(O)O	2260530726	IXYPWHOAVYKBAF-CPCISQLKSA-N	249.079	-0.848	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CCN	2298369688	BIYCHONMOBOENV-QEYWKRMJSA-N	240.112	-0.707	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1C[C@@H](B(O)O)C1	2298376919	WYPBXNHLQKZXQK-ZOZBQHSOSA-N	239.080	-0.325	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@H]2CO1)[C@@H]1C[C@H]1B(O)O	2298377334	NLTYMXWYXJUOFE-RXKWGBCNSA-N	239.080	-0.610	50	10	BBGE	
CC[C@H](O)CN(C[C@H](O)CC)[C@@H](C)C(=O)NN	2299140083	NUVQEMRKLRYINR-LPEHRKFASA-N	247.339	-0.791	50	10	BBGE	
C[C@H](CCN)Oc1ccc(C=O)c(B(O)O)c1	2301419161	KJRNCEWQLSDDII-MRVPVSSYSA-N	237.064	-0.705	50	10	BBGE	
C[C@@H](O)CN(CCO)[C@H](C)CCCC(=O)NN	2302025634	RXQDTHUHYUOYNY-NXEZZACHSA-N	247.339	-0.790	50	10	BBGE	
CCC[C@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	2303099654	QGRWVANENVUTDU-VHSXEESVSA-N	242.128	-0.160	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)NN	2303411244	UAOVOZLUWKIIFH-FYLLDIAZSA-N	241.335	-0.437	50	10	BBGE	
COc1ccc(CN(C)C(=O)C(=O)NN)nc1	2307226592	HRZBJLFIHCSYQK-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2C=C[C@@H]1C2	2312850129	SHNVJTPPGZOLDM-WCBMZHEXSA-N	244.059	-0.838	50	10	BBGE	
Cc1ncnc(N(C)C2[C@H](C)C[C@H]2C)c1B(O)O	2316994279	IZNCOZZIICIDLK-HTQZYQBOSA-N	249.123	-0.054	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cc1C#N)[C@H](C)O	2317152064	XXUKTESXLVWOQW-GZMMTYOYSA-N	248.091	-0.191	50	10	BBGE	
CN1CC[C@H]1CNc1ccc(B(O)O)cc1C#N	2317168810	YWUJZXRIUQJOCC-NSHDSACASA-N	245.091	-0.646	50	10	BBGE	
NNC(=O)CCCC(=O)NCCN1CCCC1	58854638	LOOOBLRDXHEHTB-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
CCCCCN(C)C(=O)COCC(=O)NN	58855810	QWGXIMWEEWBWCX-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
COC[C@@H](Cl)CN(C)S(=O)(=O)N(C)C	71083733	GSKYUGWSGGEAJX-ZETCQYMHSA-N	244.744	-0.022	50	10	BBGE	
CCN(CCCC(=O)NN)CC(=O)N(C)C	82470149	JEVSQLZEFOCVAX-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
O=S(=O)(CBr)NC1CC(O)C1	127521213	UCCCJKACPUQPLZ-UHFFFAOYSA-N	244.110	-0.219	50	10	BBGE	
Cn1nnnc1SC[C@H](O)CCl	156283361	LEBNIWBZWYHSDY-SCSAIBSYSA-N	208.674	-0.098	50	10	BBGE	
C[C@@H]1OCC[C@]1(O)CNC(=O)CCl	227128769	WSKSVSQNGLCZQA-XPUUQOCRSA-N	207.657	-0.119	50	10	BBGE	
COC[C@H](CCO)NS(=O)(=O)CCCl	228444118	DCTGEBCBGOQBOG-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
[N-]=[N+]=N[C@H](CCCC(=O)NN)C(=O)O	238656406	HNFXJXCBQWWWSL-SCSAIBSYSA-N	201.186	-0.090	50	10	BBGE	
O=C1OC(=O)[C@@H]2C[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H]12	255984123	KUPAKADFLMGMHT-KAZBKCHUSA-N	242.183	-0.502	50	10	BBGE	
C[C@H](SCC(=O)N(C)C)[C@@H](C)C(=O)NN	300857360	OQAHAOIOCCLUSC-RQJHMYQMSA-N	233.337	-0.178	50	10	BBGE	
O=C1OC[C@@H]2[C@H](O)[C@H](Br)[C@@H]12	306459718	BKABFSAMXLGLMU-KLVWXMOXSA-N	207.023	-0.086	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)S1(=O)=O	306540702	WPYXWLDREPSVDU-LURJTMIESA-N	228.701	-0.922	50	10	BBGE	
C[C@@H]1CN(C[C@H](Cl)C#N)CC(=O)N1	307215921	DYVSPAZCOHDFFU-RNFRBKRXSA-N	201.657	-0.062	50	10	BBGE	
Nc1ccc2c(O)csc2c1B(O)O	307386472	KDEFTXASHZKXEQ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@@H](C)NC(=O)NNC(N)=S	308286574	BIMCRHZDVJKEAZ-SCSAIBSYSA-N	206.271	-0.931	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](N(C)C)[C@H]1C	381962748	HQPMGAAFONPWJD-BBBLOLIVSA-N	228.340	-0.221	50	10	BBGE	
COC1(C)CN(C[C@H](C)C(=O)NN)C1	382595883	LRRHHHPTSDCGBK-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
CCOC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	383035996	GRNCICXKFTXZEQ-PSASIEDQSA-N	243.307	-0.755	50	10	BBGE	
CC[C@@H](C)N(CCO)C[C@@H](C)C(=O)NN	389375997	ASCLBFKOVQLYLN-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394361329	ABWBCIWXCFREHM-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(O)c(B(O)O)c1	396026857	WZRDWFGBNBSTQW-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
N#Cc1cc(B(O)O)cc2c(CO)csc12	396218146	IYCRVHXIYNVRCB-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CN(CC[S@](C)=O)C[C@H](Cl)C(=O)O	398964415	QSUMOBHJFRMZKM-IYQDAUBNSA-N	227.713	-0.011	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)N1CCCC1	405129930	FJYUFFYNSUWEGV-UHFFFAOYSA-N	248.091	-0.328	50	10	BBGE	
CCN1N[C@@H](Br)N=C1NN	605686288	JELKVTFMZFFURV-VKHMYHEASA-N	208.063	-0.676	50	10	BBGE	
Cc1nnc(CN2CCC(O)(C#N)CC2)n1C	685996335	NYPVGCQVVVKCSK-UHFFFAOYSA-N	235.291	-0.026	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCC[C@@H]2N)CC1	692089740	DKCOEZVKCOOMEA-QWRGUYRKSA-N	239.319	-0.299	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1CN(C)C1	692718989	LSGIOTAKEYBWHR-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@]12CCC[C@@H]1C2	693137554	MEBMWBDKBYLWFH-PELKAZGASA-N	246.075	-0.110	50	10	BBGE	
Cc1nn(Cc2cncc(F)c2)c(C)c1B(O)O	694276501	NQZBYUHZDUEIAW-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
OB(O)c1ccn(CCc2ccccc2)n1	694310502	TUGXXNYGMPBBJJ-UHFFFAOYSA-N	216.049	-0.194	50	10	BBGE	
COC[C@H]1CCCN1Cc1cccc(B(O)O)c1	696537366	QLCRZOAYLDWTNY-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C)C[C@@H]1CO	703890699	GTUCHGBZOCULOX-JGVFFNPUSA-N	220.700	-0.251	50	10	BBGE	
CCN(C)C(=O)N1Cc2ccc(B(O)O)cc2C1	708004093	QLZLRRGCLQMGNS-UHFFFAOYSA-N	248.091	-0.246	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1CCC(=O)NN	708462908	LGYVGAXLTLGVGG-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1cnc[nH]1	709749809	FFHQDDPDAPNWPW-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cl[C@H]1CCN(CCn2cnnn2)C1	712552986	SNMZPPHEOSHMQA-ZETCQYMHSA-N	201.661	-0.014	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2cccn2C)nn1	808038633	SQCOCHOFKQBNNJ-UHFFFAOYSA-N	248.246	-0.772	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CC1)c1ccoc1	824702066	LWBBRLANEBKLSB-MRVPVSSYSA-N	224.216	-0.189	50	10	BBGE	
C[C@H]1OCC(=NNC(=O)C(=O)NC2CC2)[C@H]1C	844570591	BTQIZYYIBVUNEP-NKWVEPMBSA-N	239.275	-0.208	50	10	BBGE	
O=S(=O)(CCCCl)N[C@@H]1C[C@H]1CO	882151610	DPKUVMCZMXRXQK-NKWVEPMBSA-N	227.713	-0.085	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)CC1CC1	908447871	IZNOHGJDUGGXGX-KZUAUGPASA-N	212.249	-0.129	50	10	BBGE	
CCn1nc(C)c(C(=O)NNc2nc[nH]n2)n1	1161432053	WSLPLTFDWKGPGP-UHFFFAOYSA-N	236.239	-0.519	50	10	BBGE	
CN1CC[C@H](CC(=O)N2CC[C@@H](B(O)O)C2)C1	1262159666	FIYQTQWJKKYVGL-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
COC(=O)NNC(=O)c1nnn(C)c1C	1342635203	ALWYRBPNPNGYIJ-UHFFFAOYSA-N	213.197	-0.876	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H](O)CCSC	1442416545	RFNXQOBBRQOANV-SSDOTTSWSA-N	249.336	-0.159	50	10	BBGE	
O=S(=O)(CCF)N[C@H]1COC[C@H]1Cl	1881976179	OVLLRUGKFPDCCB-RITPCOANSA-N	231.676	-0.119	50	10	BBGE	
C[C@@H](SC[C@H]1CCNC1)C(=O)NN	1883297457	GWQWYTOAKARTDC-RQJHMYQMSA-N	203.311	-0.293	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CNOC1	1883627314	SWQUFIUNDWLSMB-RXMQYKEDSA-N	204.613	-0.672	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@H]1C[C@@H]1Cl	1883639720	OXEBUAUMALASJM-WDSKDSINSA-N	204.657	-0.936	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(N)=S)CCO1	1886029608	MHJFKTQUJFWJJV-RITPCOANSA-N	217.294	-0.334	50	10	BBGE	
CNC1(C(N)=O)CN(C[C@H]2C[C@H]2Cl)C1	1893127783	KCZXMBIDCJUAPQ-RNFRBKRXSA-N	217.700	-0.627	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1895662915	OZZMVCNVOMSOIL-WYCDGMCDSA-N	227.308	-0.544	50	10	BBGE	
C[C@@H]1CN(CCC(F)(F)C(=O)NN)C[C@H]1O	1895685236	ZQJCBZDDNBPZOU-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@]2(CO)C1	1897332432	SYZVMKXCNDGDHU-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@@H]2C(=O)NN)C1	1899510282	PLXWEDQJTFWXCR-UWVGGRQHSA-N	227.308	-0.419	50	10	BBGE	
C=C(CN1CCc2nccn2CC1)B(O)O	1900382362	HHEBORYWAUIZJU-UHFFFAOYSA-N	221.069	-0.691	50	10	BBGE	
CN(NC(=O)[C@@H]1CC2(CC2)CN1)S(C)(=O)=O	1901341423	VBFOOKSNCKFBCX-ZETCQYMHSA-N	247.320	-0.949	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902510975	FPHGEARTVCHHDJ-HLTSFMKQSA-N	247.125	-0.337	50	10	BBGE	
C[C@@]1(B(O)O)CCN(S(=O)(=O)CC2CC2)C1	1902514345	VXHTYBHZFJMNKN-SECBINFHSA-N	247.125	-0.335	50	10	BBGE	
CC[C@H](C)NC(=O)CN1CC[C@@H](B(O)O)C1	1902516033	PEBFOFFGNASAKS-DTWKUNHWSA-N	228.101	-0.550	50	10	BBGE	
C[C@@H](C(=O)N(C)C)N1CC[C@](C)(B(O)O)C1	1902541535	PPSJCTMZVVUOHI-WPRPVWTQSA-N	228.101	-0.598	50	10	BBGE	
Cc1scc(C(=O)NCCCF)c1B(O)O	1902866635	ZWHLBOGUCMZDLL-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
CCN(CCF)c1cc(B(O)O)c(F)cn1	1903005609	JAIOAUZFRLRMNM-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907249773	JLBRRDKSIGTHGA-ZNSHCXBVSA-N	241.335	-0.154	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)CCC(=O)NN	1908891666	ZMRDFICVWAMPLK-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914023268	RQVINAJVTMWACA-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
COCC1CN(Cc2nc(C(=O)NN)co2)C1	1916280718	BJEUAXBWAHXYBN-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCCn2cnnn2)C1	1928751199	OZIVFHAPHWIVRK-HTQZYQBOSA-N	230.703	-0.816	50	10	BBGE	
O=C(NNCCO)[C@@]12CCC[C@H]1OCC2	1929832888	ABEULLVWLPGUNF-PSASIEDQSA-N	214.265	-0.441	50	10	BBGE	
C[C@@H]1CCS[C@H]1CN(C)C(=O)C(=O)NN	1930933378	WNKKTICPOAIEPW-RQJHMYQMSA-N	231.321	-0.424	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1[C@H](C)CC(=O)NN	1934980026	CUUARJFILCBAOI-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946066	YMTDUJGWKFJMHQ-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
CN(CC1CC(O)C1)C[C@H]1C[C@@H]1C(=O)NN	1936093717	GYJQNCMXDKBWCT-RGWUEKKESA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H](O)CC1	1936094011	JNYDWSYVYWJTQR-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@H]1C	1936535233	NATIRBKMQUKXLC-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938233353	PUUPUGLHWIZTBI-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@]1(C)CO	1938799556	PZQABLYKGGUAAQ-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
COCCOCCCOC[C@H]1C[C@@H]1C(=O)NN	1941086060	PTOODJHIVOWGEB-ZJUUUORDSA-N	246.307	-0.318	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941087150	AQFMVXHLWPGOBM-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@@]1(CO)C2	1942115805	PLEIKTYLXDWJCK-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
Cc1ncc(O[C@@H](C)CN(C)C)cc1B(O)O	1944011630	SEHHMCGCFHVFCF-QMMMGPOBSA-N	238.096	-0.601	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1946111169	VGCVNLZPDBTXLR-LNFKQOIKSA-N	241.335	-0.296	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1C[C@@H]1CO	1954196466	NAKSNCIABLQUAI-RNFRBKRXSA-N	227.713	-0.227	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955549872	SQPRQEMKIGCUIE-HMJBSVBGSA-N	219.668	-0.432	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@@H]2OCC[C@H]2O1	1955953339	PSWSOJNBLACMGC-XVMARJQXSA-N	201.226	-0.894	50	10	BBGE	
CN(C)NC(=O)N1CCC(CO)CC1	1956212794	CVWAVZUYUTXVPW-UHFFFAOYSA-N	201.270	-0.123	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1ncncc1N	1957981858	SKYUVFQPRHEJDV-RXMQYKEDSA-N	227.293	-0.081	50	10	BBGE	
COc1ccc2c(c1)CC[C@@]2(N)B(O)O	1959816223	ZEZFMFBHSLPNDA-JTQLQIEISA-N	207.038	-0.193	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1ncno1	1976743461	ARZHGJDUITVLFX-ZETCQYMHSA-N	227.268	-0.340	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCC(O)(C(N)=O)CC1	1976904491	QLKODZUMUTZBDM-ZETCQYMHSA-N	248.710	-0.157	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)c1ccnn1C	1981559517	BLKYSLMAJDRRHB-UHFFFAOYSA-N	233.222	-0.519	50	10	BBGE	
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NC(=O)CCl	1982022744	HBUUALNCYYSPKB-WDSKDSINSA-N	247.682	-0.295	50	10	BBGE	
O=c1ccc(B(O)O)cn1C1CC2(CC2)C1	1984102883	YFFAAFZEZHHVIL-UHFFFAOYSA-N	219.049	-0.357	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2CC1(CF)C2	1990771630	ABSQTVPJXNMPEP-UHFFFAOYSA-N	229.255	-0.412	50	10	BBGE	
CNC(=O)OC1CN(C(=O)C=CC(=O)Cl)C1	1991653152	WEUWJNDELIMEHE-UHFFFAOYSA-N	246.650	-0.125	50	10	BBGE	
OB(O)c1csc(N2O[C@H]3C=C[C@H]2CC3)n1	1992326878	QBJUZDROEZEBPQ-BQBZGAKWSA-N	238.077	-0.338	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@@]2(CO)C1	1993219787	OFTFWMNPNPLJAF-DKIAZLNASA-N	227.308	-0.685	50	10	BBGE	
CC[C@]12CO[C@](CN(C)CC(=O)NN)(C1)C2	1994650971	AQCSPNIPEUVQDH-PHIMTYICSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCc2nnccc2C1	1998250339	ROYUAGFZSZDAQF-SNVBAGLBSA-N	235.291	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1[C@@H]1CCCN1C	2004364545	JHPLMDGDBFSYCT-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)c1cc(CN2CC3(CCO3)C2)on1	2004490082	CNUSIIXQZCGGOB-UHFFFAOYSA-N	238.247	-0.747	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@@H]2CC[C@@H](C(=O)NN)O2)CO1	2004766340	VGGRXNVMZGJVOO-KATARQTJSA-N	244.291	-0.282	50	10	BBGE	
CCN(c1ncc(B(O)O)c(C)n1)C1CCC1	2004973283	RXJOWEBFWVTBPH-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
Cc1nc(C)n(-c2ccc(B(O)O)c(C)n2)n1	2004990343	GGGGLNHIZDQYQE-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C)C2	2006383122	YDZXCMYPNVKGBW-MMWGEVLESA-N	240.351	-0.078	50	10	BBGE	
COC[C@]1(C)CCN1c1ncccc1B(O)O	2007187224	YMTYYSIGIKEKOC-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@@H](F)C1	2008840287	KIIMXGDYQRANJC-PSASIEDQSA-N	239.055	-0.334	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@H]2C[C@H]1CO2	2020068016	NICPKEZXOWFUSP-LPEHRKFASA-N	239.080	-0.514	50	10	BBGE	
CN1CCN(Cc2ccc(C(=O)NN)nc2)CC1	2056631181	LLKSRVSNXGHUIR-UHFFFAOYSA-N	249.318	-0.568	50	10	BBGE	
CCOc1cc(C#N)cc(OC)c1B(O)O	2060204174	ULORXRVYSVABAR-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
COc1cc(B(O)O)cc(C=O)c1[N+](=O)[O-]	2060276147	MPAGYJHCQOJDTA-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
NC(=O)C1(NC(=O)CBr)CCC1	2209095769	MBMKKJKFIWNLRK-UHFFFAOYSA-N	235.081	-0.095	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OC[C@H]2CCC[C@H]21	2210311936	AUYZXZUPLJNRCE-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1CC[C@H]1Cn1cccc(B(O)O)c1=O	2211480107	HSPOTZHYLCIPFC-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
Cc1nn(C[C@@H](C)CN(C)C)c(C)c1B(O)O	2212977174	YVVYKXKHUWLSRM-QMMMGPOBSA-N	239.128	-0.623	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1OC[C@H]2CCC[C@H]21	2213157033	RZJZFPZDRURTIE-OPRDCNLKSA-N	239.080	-0.514	50	10	BBGE	
COCCN(CCF)C[C@@H]1CC[C@H]1C(=O)NN	2215771729	JPDBQDMWQLMHAT-VHSXEESVSA-N	247.314	-0.080	50	10	BBGE	
N#C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CCO1	2215775044	FWJZPMVFUWJJDO-AEJSXWLSSA-N	238.291	-0.773	50	10	BBGE	
Cc1cnc(OC[C@H]2CC[C@H]2N)cc1B(O)O	2217168834	YQCNEWUDCZURHJ-PSASIEDQSA-N	236.080	-0.814	50	10	BBGE	
CC[C@](C)(CCO)Nc1ncccc1B(O)O	2217176165	SFIWUKRCUMVCLX-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
C#CC[C@@H](C)CNc1nccc(B(O)O)c1F	2217180243	GDVQZTZZOYZOSB-MRVPVSSYSA-N	236.055	-0.028	50	10	BBGE	
Cc1cnc(OCC[C@@H](C)CN)cc1B(O)O	2217183450	IJQBQFHENPKZQS-MRVPVSSYSA-N	238.096	-0.566	50	10	BBGE	
CN1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2217195343	IURZHLPKCYYQFI-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
CC1(C)[C@@H](O)CCN1c1cc(B(O)O)ccn1	2217204048	DPTIFMJSHCROSF-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@@H]2CCOC2)c1	2217205035	SEYYQJFOVUBZMX-SECBINFHSA-N	236.080	-0.978	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCCC[C@H]21	2217336425	DOZZCNAWQQCCBG-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1[C@H]2CNC[C@H]12	2220064317	CEZJJWDUXAYAST-RYUDHWBXSA-N	246.119	-0.984	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3[C@H](O)C[C@H]32)c1	2220071658	LFUXFVZZYHLWFE-YNEHKIRRSA-N	247.103	-0.679	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CC[C@H]2C[C@H]1CN2	2223646960	RIXUIELJVVRJNV-QXEWZRGKSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@@H]3CC[C@H]32)nc1	2223655228	XWUOOIZSFMRQLU-GMTAPVOTSA-N	248.091	-0.719	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cn(C)nn1	2223675511	XDBAOEHSMMIYBU-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
N=c1cc(CNc2ncccc2B(O)O)cc[nH]1	2223821701	LWXLGGNNUBMPTB-UHFFFAOYSA-N	244.063	-0.819	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N(C)O)s1	2241480845	OQITZJYLWCVJAG-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
CO[C@@H](CO)CNC(=O)C=CC(=O)Cl	2242439370	JBXJLLMNUNUJSN-ZCFIWIBFSA-N	221.640	-0.569	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H]1C[C@H]1F	2242806525	HMDBTCRQMAJHJI-IONNQARKSA-N	225.028	-0.193	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C(C)(C)C(F)F	2243356161	CELLNZGYMHCGII-LURJTMIESA-N	233.023	-0.202	50	10	BBGE	
COC[C@H](C)N(C)C(=O)C1(B(O)O)CCC1	2243364937	FLCMWKXVVDISBX-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(B(O)O)s1	2243377713	FURONSFGHVPEME-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCCC1	2243398440	DTNCKOMEXNWSKJ-UHFFFAOYSA-N	222.053	-0.679	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)sn2)C1	2243398918	VFNPHGVBPMZSTD-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(C#CB(O)O)NCCCn1cccc1	2243401230	OHAMQNAEOPJXIA-UHFFFAOYSA-N	220.037	-0.990	50	10	BBGE	
COC[C@@H](CF)NC(=O)C1CC(B(O)O)C1	2243414388	ZUVRFUCVZUDISI-KAVNDROISA-N	233.048	-0.660	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243426695	KKYJTXCQFCEXMM-UYXSQOIJSA-N	226.085	-0.765	50	10	BBGE	
O=C(Nc1ncccc1O)C1(B(O)O)CC1	2243753283	RWBOZZKHFIUHPR-UHFFFAOYSA-N	222.009	-0.267	50	10	BBGE	
OB(O)C1CCN(CCn2ccnc2)CC1	2244181049	VFEUIHCMZVDXNH-UHFFFAOYSA-N	223.085	-0.178	50	10	BBGE	
C[C@]1(C(=O)NCCC#CB(O)O)CCCS1	2244548583	RQGYHKXVTIXUEV-SNVBAGLBSA-N	241.121	-0.206	50	10	BBGE	
OB(O)c1cc(N2CC[C@H](F)C2)ncc1Cl	2245913309	PJJIDMXMIYXONH-LURJTMIESA-N	244.462	-0.037	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2CCO2)[nH]cc1Cl	2245913727	XDOLGGUCGWBVPV-ZCFIWIBFSA-N	242.471	-0.963	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCOCC1(C)C	2247741199	WFGIPBVJDJNDCJ-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
O=C(NC1CCCCC1)c1cc(B(O)O)c[nH]1	2247748054	XBCORPOIYBCTBG-UHFFFAOYSA-N	236.080	-0.243	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H](CN)C1	2247755038	ILGGULISHJTFOH-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
CCCONC(=O)c1cc(F)ccc1B(O)O	2247759849	XMGOOHMIZSTGSO-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
CC[C@H](C)[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782495	VOTUNHDIQXEEBS-NKWVEPMBSA-N	239.084	-0.746	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2247787026	JZUNFVNNMHDYEV-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1C	2247798014	PLNHDMOICLMVGY-DTWKUNHWSA-N	237.068	-0.792	50	10	BBGE	
CN(C)CC1(NC(=O)C2CC(B(O)O)C2)CC1	2247799250	BCZRYQHTFDLYON-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CCc1cc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH][nH]1	2247799814	INHRYTOKKCIBQU-LJGSYFOKSA-N	237.068	-0.415	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850625	QRCVYFCWPPKFNM-KOLCDFICSA-N	236.080	-0.387	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)[C@H]1C[C@H](B(O)O)C1	2247854464	CZGDHOPPXFZBDI-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
CN(C[C@H]1CCCN1C)C(=O)C1(B(O)O)CC1	2247856350	IHHGHQYNINXCLZ-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
CCCC1(O)CN(C(=O)C2CC(B(O)O)C2)C1	2247858325	CUNZXOBKVMLLGZ-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247879699	XEPRHINSXCAYCS-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CC12CC(NC(=O)C3(B(O)O)CCC3)(CO1)C2	2247879869	YNFBAAWYVXRFRK-UHFFFAOYSA-N	239.080	-0.179	50	10	BBGE	
CCCCNC(=O)c1c(B(O)O)cnn1CC	2247891721	MWMKVIDLCDRHDD-UHFFFAOYSA-N	239.084	-0.887	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H](O)C1)[C@@H]1C[C@H]1B(O)O	2247897935	YNRYQJMPZPINGM-UTINFBMNSA-N	241.096	-0.483	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(O)(C(F)F)C1	2247911119	SZGRFIOCIGSPEK-UHFFFAOYSA-N	249.022	-0.922	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1O	2248031399	AMNAGGOZEYALAF-SSDOTTSWSA-N	237.064	-0.400	50	10	BBGE	
CC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)(C(=O)O)C1	2248593466	NJIVTPUAIZVOOJ-HTYJUZMNSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccncc1B(O)O	2249300403	VDPPLFRFIBOPPQ-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
O=C(NCC1CCCC1)c1cc(B(O)O)co1	2249419407	HAFDIZVKKOUSIR-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
N#CC1(O)CCN(c2nnc(C(=O)O)o2)CC1	2252862204	IORSRHQWBRKHSG-UHFFFAOYSA-N	238.203	-0.377	50	10	BBGE	
O=C(N[C@H]1CCC12CCC2)c1cc(B(O)O)c[nH]1	2255459039	AHBFJHMWGSSTAK-JTQLQIEISA-N	248.091	-0.243	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1cncc(B(O)O)c1	2255516117	HYAROCWKJUUNKC-NXEZZACHSA-N	246.075	-0.710	50	10	BBGE	
CN(C(=O)c1c[nH]nc1B(O)O)C1CC2(CC2)C1	2255550833	PAQIYTAPRSHUNM-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1c[nH]nc1B(O)O	2255583782	RAOUYALKJUZGMW-VXNVDRBHSA-N	249.079	-0.992	50	10	BBGE	
CC=CCCCNC(=O)c1cncc(B(O)O)c1	2255685643	DIPVBRNVDODNTH-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255732210	RKCRCUHCSVBYSM-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1occc1B(O)O	2255744779	KVPUMBCKMOACHZ-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2nccnc2B(O)O)C1	2256068295	ZPHOUHMMCFCJBE-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
CC1(C)CCCN1C(=O)c1nccnc1B(O)O	2256069570	ODOGVKLQMJJQBE-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C[C@H]1CCN(CCNc2ncccc2B(O)O)C1	2261473966	QBPZYASWYFHMHR-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)[C@H]1CCC[C@H]1O	2298164900	OPBMCGUQPPLJCW-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]2CC[C@@H]21	2298369939	JNVVIMQZJXVYOS-IMSYWVGJSA-N	238.096	-0.846	50	10	BBGE	
O=C(O)[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298463843	DGLGGSIOJQUKEM-NZVMNLIMSA-N	241.052	-0.781	50	10	BBGE	
CNCCC[C@@H](C)Oc1ccc(B(O)O)cn1	2299735891	FYANYUCMNFSYAD-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
CC(C)N1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	2301467004	OWDPDUCTRAMUKY-BDAKNGLRSA-N	240.307	-0.242	50	10	BBGE	
NCC12CC(CCN1C(=O)[C@H]1C[C@H]1B(O)O)C2	2302050275	PAAUQPCLQMCGTK-UVCIYIGYSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H](C(=O)NC1CC1)N1CC[C@](C)(B(O)O)C1	2303134187	OJYDPYAZYFGHFR-KWQFWETISA-N	240.112	-0.408	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C(C)C	2304249412	MMKUFRUJZHBQMO-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
OC[C@H]1[C@@H]2CC[C@@H](C2)N1c1ncccc1B(O)O	2312612176	FSXUGCRPRHVKDX-YWVKMMECSA-N	248.091	-0.889	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2312849026	BJUOJKOJCFQXRM-GHCJXIJMSA-N	247.059	-0.560	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@@H]2C[C@@H]1CN2	2317160269	BQWMNMRRUPVOQG-ZHAHWJHGSA-N	243.075	-0.990	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1ccc(B(O)O)cc1C#N	2317161761	FOBGLDJDCNFJPA-MRVPVSSYSA-N	248.091	-0.191	50	10	BBGE	
O=C(NNC(=S)NC1CC1)[C@H]1CCCO1	22081168	SPTRAUUYAFKLPJ-SSDOTTSWSA-N	229.305	-0.177	50	10	BBGE	
NCc1cn(CC(=O)NNc2ccccn2)nn1	50224245	ZQUHNVIPNFYPHX-UHFFFAOYSA-N	247.262	-0.725	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)c1nccs1	70734348	GLWHJWLDRUXVSX-YFKPBYRVSA-N	228.277	-0.300	50	10	BBGE	
NC1=CC2=NC=C(C=O)CN2C(S)=N1	82377104	XMQCPIXJZJDEDC-UHFFFAOYSA-N	208.246	-0.117	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@H]1CCCO1	82463855	ATFMMDAXBZXADM-RXMQYKEDSA-N	210.180	-0.235	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cscn1	82469427	ZFUWCAAZJCOLST-ZCFIWIBFSA-N	214.294	-0.047	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nc(N)cc(=O)[nH]1	82473196	CDLCPGYLBSEINV-SCSAIBSYSA-N	243.292	-0.787	50	10	BBGE	
C[C@H]([C@H]1CCCO1)N1CC(=O)OC(=O)C1	111217697	VKWBUYKMOFOPKC-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccnc2=O)cc1	113179730	UJCSVMGUICAJCY-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H](C)N1C	127931810	SMFRIUIREFEDRD-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CN(CCCN)CC(=O)NNc1ccccn1	133783062	VLPVGAGPSKQIKC-UHFFFAOYSA-N	237.307	-0.195	50	10	BBGE	
CCOc1nnc(-c2ccccc2B(O)O)o1	198193479	MMVNFMZJGSWEQC-UHFFFAOYSA-N	234.020	-0.185	50	10	BBGE	
CC[C@@H]1COCCN1C[C@H](C)C(=O)NN	251640560	FYCWUVMWZQCOGJ-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
O=C(CO)NN=Cc1ccc2c(c1)OCO2	254839099	ZPNNDQCIQGRCMZ-UHFFFAOYSA-N	222.200	-0.142	50	10	BBGE	
O=C1NCN[C@@H](Cl)[C@@H]1Br	306736533	XNFHGCJKXDSFTL-STHAYSLISA-N	213.462	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CO)[C@H]1C	307019576	YLZVGROJTYAZHG-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CN1C[C@H](NC(=O)CBr)CC1=O	307028820	LHGGLWNMPNBCSI-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
CCOC(=O)C1=CN/C(=C/C=O)NC1=O	308711573	XEVPRTYUVPNTKE-CLTKARDFSA-N	210.189	-0.807	50	10	BBGE	
CCOC(OCC)c1ccc(B(O)O)cn1	309380494	XQMBESMKHYEZMW-UHFFFAOYSA-N	225.053	-0.167	50	10	BBGE	
O=C(O)CCc1ccc(B(O)O)c(F)c1F	309508629	NLALLXJFMHUTQI-UHFFFAOYSA-N	229.975	-0.338	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CCC2)CC1	378708615	JRMKNDGHZOAGMB-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
NC1(C(=O)NNC(=O)c2ccoc2)CC1	381520612	WVHGBROEKJCNTF-UHFFFAOYSA-N	209.205	-0.468	50	10	BBGE	
N#CCc1ccc(B(O)O)cc1CCC=O	396134680	CBXBDRZNEKCZBL-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
N#CC1(c2ccc(B(O)O)cc2)CCOCC1	396135635	XAEXCPIUJOXGTO-UHFFFAOYSA-N	231.060	-0.062	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)[C@@H](C)CO1	403829792	PROQSIBQJICVIN-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C/c1cnccn1	491318532	FWFCJVUBRWKAAG-ONEGZZNKSA-N	235.247	-0.160	50	10	BBGE	
O=C(Cl)NC[C@H]1CN2CCN1CC2	575502448	VNCSXLGPBDSXFW-ZETCQYMHSA-N	203.673	-0.065	50	10	BBGE	
CCOC(=O)[C@H]1NN[C@@H](Br)N1	585662182	LEKXBTQYJXMYJO-WUJLRWPWSA-N	224.058	-0.749	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H](C)O1	689162419	XKCHHAUUDYCTCG-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@@H](C)[C@H](C)C(=O)NN	689809077	FDHLFJIBFWDLBC-QXEWZRGKSA-N	247.339	-0.670	50	10	BBGE	
C[C@@H](CN(C)C[C@H](O)C1CC1)C(=O)NN	690157171	XLLKIPKNRFXOFI-CBAPKCEASA-N	215.297	-0.685	50	10	BBGE	
Cn1cc(C(=O)N2CCC(O)(C#N)CC2)cn1	692113994	MWSFYAUMPSKUPI-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
C[C@@H]1NCC[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692122718	DSAWFEODNRCEDG-UWVGGRQHSA-N	237.303	-0.139	50	10	BBGE	
CCN(C[C@@H](C)O)CC(C)(C)C(=O)NN	692169419	JSPHKCZCXBNRQQ-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CN(CCS(C)(=O)=O)[C@@H]1COC[C@H]1Cl	709125565	KATOSTRMVTUCLQ-HTQZYQBOSA-N	241.740	-0.031	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@@H](C)[C@@H]1O	710896157	DSHBLRKWCBSOAZ-MBTKJCJQSA-N	215.297	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CCN)[C@@H](C)C1	723921350	BCWRLSSGPLASAI-WCBMZHEXSA-N	242.323	-0.930	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)NC1CC1	858778563	NRKGCHFGSGKUBX-UHFFFAOYSA-N	237.263	-0.316	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=C[C@H]1CC12CC2	863184313	WOILHEJEIZZGHS-SSDOTTSWSA-N	230.289	-0.067	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC1(F)F)c1cnsn1	894284610	MPULUBBQOFPLBJ-GSVOUGTGSA-N	248.214	-0.046	50	10	BBGE	
C=C(C)C[C@H](CO)NCc1cccc(B(O)O)c1	895713327	NMRGZIBRCARIPL-CYBMUJFWSA-N	249.119	-0.217	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1ncon1	1538716570	KPGUUHNVPAHUNB-RXMQYKEDSA-N	226.192	-0.990	50	10	BBGE	
CCc1nc(C)ncc1C(=O)NNC(=O)NC	1597340977	MAMCBSKCARDDOB-UHFFFAOYSA-N	237.263	-0.079	50	10	BBGE	
N#CCCNC(=O)NNC(=O)C1CCOCC1	1672243718	JGAVANAYWJHTNP-UHFFFAOYSA-N	240.263	-0.343	50	10	BBGE	
CN(C[C@@H]1C[C@H]1Br)S(N)(=O)=O	1877485023	DNAWJCZPQDPMPQ-CRCLSJGQSA-N	243.126	-0.095	50	10	BBGE	
CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NN	1880024955	YDAJKJWNWPSSJN-ZCFIWIBFSA-N	247.295	-0.360	50	10	BBGE	
CNS(=O)(=O)CCOCCCl	1880369228	NVGCUOQPTUNMEU-UHFFFAOYSA-N	201.675	-0.209	50	10	BBGE	
O=C(O)CS(=O)(=O)NC1CC(Cl)C1	1881718126	BVZGUIKCSYQFKY-UHFFFAOYSA-N	227.669	-0.240	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCl)C[C@H]1O	1883746798	QTFAMRCTFVAWDB-SVRRBLITSA-N	207.657	-0.431	50	10	BBGE	
COC[C@@]1(C)CCN1[C@H](C)C(=O)NN	1884802757	CIKATORFZONVFS-VXNVDRBHSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)[C@@H]1C	1885873664	SQLFYNQWRVMKFR-XAMCCFCMSA-N	201.270	-0.934	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@@H]1CC[C@H]1N	1887485842	MFTIGUGJBJTCCR-RFZPGFLSSA-N	225.264	-0.166	50	10	BBGE	
O=C(C=C(C(=O)O)C(F)(F)F)NNCCO	1899571971	DRKQLDVLTWOSNP-UHFFFAOYSA-N	242.153	-0.827	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@@H](F)C2)nc1	1904936193	MSNHIWGLFNSQME-WRXNHJIOSA-N	226.016	-0.717	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]3C[C@@H]32)c1B(O)O	1907077882	ZRYQFKKJMBBQBG-BDAKNGLRSA-N	233.080	-0.546	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1914259773	NWYMSYDNOAUFNW-LURQLKTLSA-N	213.281	-0.933	50	10	BBGE	
CC(C)(CCN1C[C@H](O)CCC1=O)C(=O)NN	1914271530	IFHJTTZHJHCPQY-MRVPVSSYSA-N	243.307	-0.624	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC1(CO)CC1	1915532520	GASHYNRFDLGYLX-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC(F)C1	1917251579	HJZZYGGGGADSDJ-UHFFFAOYSA-N	224.239	-0.161	50	10	BBGE	
CO[C@@H](C)[C@H](O)C(=O)NNC(=O)OC(C)(C)C	1923414268	ZYTBXNBYBLIXEU-BQBZGAKWSA-N	248.279	-0.062	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H]1CO2	1927906679	CDNLUZMDIJHIKK-RYPBNFRJSA-N	211.265	-0.915	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(CCOCC(=O)NN)C1	1928179186	NIGYFKNPOHQLOM-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]1CO	1929740562	JUUMLMOFKXBOLK-DTWKUNHWSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@H]1F	1932370405	AKKAYGXDMPBQRS-HTQZYQBOSA-N	219.260	-0.717	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2C[C@H]1CO2	1932589765	VYQCLEZOLDUYSU-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
CN(C)C[C@H]1COCCN1C[C@@H](O)CCl	1932752460	ZBXDLTBPXZILDL-UWVGGRQHSA-N	236.743	-0.152	50	10	BBGE	
NNC(=O)C1(Cn2cc(Cl)cnc2=O)CC1	1938258119	GSSDRJGXJOLXKC-UHFFFAOYSA-N	242.666	-0.333	50	10	BBGE	
NNC(=O)CN1CCC2(CCC2)[C@H](CO)C1	1938511597	ANGSKISJRNBNRH-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCN(C)C1	1941086750	KFNKCIMPRUGFDK-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H]1CN(C)C	1947728084	MWEIELYGDWBRNY-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@H](N)C1	1950190829	HLFSRVIVHVLRDT-VHSXEESVSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@H](O)[C@@H](C)O	1954511742	UTKOYADIVKQHKM-DSYKOEDSSA-N	209.673	-0.138	50	10	BBGE	
C[C@@]1(CO)CC(F)(F)CN1C(=O)NN	1955335476	UJFWVUVZMMICHO-LURJTMIESA-N	209.196	-0.338	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)NN)C[C@H]1OC	1961679229	PCBXIGFJCHKMFZ-RNLVFQAGSA-N	217.269	-0.306	50	10	BBGE	
CCCN(C)c1ncc(B(O)O)cc1C	1961717804	GIJDJXZWXWXLBO-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
CC1(C(=O)NCC#CCCl)CS(=O)(=O)C1	1974779364	NAGBJVDZIAVYAQ-UHFFFAOYSA-N	249.719	-0.221	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(C1CC1)C1COC1	1977188427	PGEOPFFHYODSCC-XCBNKYQSSA-N	225.292	-0.524	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)[C@H](C(=O)O)CO1	1979153008	BWXVLHHIGQFRCN-BQBZGAKWSA-N	231.252	-0.654	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCC1COC1	1979832011	WKGNRNQLHMAOIS-RKDXNWHRSA-N	225.244	-0.061	50	10	BBGE	
CN(CCC(=O)NN)CCN1CCCCC1	1980757051	PRJZMOVIGVZAIT-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
N#C[C@@H](Cl)CN1CCn2c(CO)nnc2C1	1981095433	IZKHCOKMBVOKRD-SSDOTTSWSA-N	241.682	-0.283	50	10	BBGE	
C[C@@H]1CSCCN1c1ncc(B(O)O)cn1	1981408794	FKEMXLGQLKAXGM-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
OB(O)c1cnc(OCC2CCCC2)nc1	1981430673	QQERMZNJWGBEHT-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
CCCOC1CN(c2nc(B(O)O)cs2)C1	1981469377	RIWGQIUUTPVTMQ-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C(C)C)n1	1981469774	YCQFPKQQQNVCMF-UHFFFAOYSA-N	223.085	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(CC[C@@H]2O)C1	1986977528	VSLSWBXQGJCQOZ-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1NC(=O)/C=C/C(=O)Cl	1991714157	BXBOVCYPIWELRL-ZGNIKFQOSA-N	246.694	-0.247	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCOC[C@H]1CO	1991714589	IVMWQEPEIZPGPH-XLNBVVSQSA-N	247.678	-0.178	50	10	BBGE	
CCOC1(CO)CN(C(=O)/C=C/C(=O)Cl)C1	1991717104	SKUKYGYSYCPXKZ-ONEGZZNKSA-N	247.678	-0.082	50	10	BBGE	
O=C(NCB(O)O)c1cccc(C(F)(F)F)n1	1995779796	PCYWLAHXBRAARL-UHFFFAOYSA-N	247.969	-0.158	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOCCOCC1	1997202434	DJROIBWYAOWWLD-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@H](C)[C@H](C)C(=O)NN	1997350888	IWKNXLHOAOIRRA-AATLWQCWSA-N	247.339	-0.936	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(n2ccnn2)C1	2003858725	NBJDELLGXLFZET-YUMQZZPRSA-N	238.295	-0.851	50	10	BBGE	
CC(C)N1CCN(C[C@H](C)C(=O)NN)CC1=O	2004024337	TYZXKSVXGPQRJE-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
CC1(C#N)CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	2004461093	NFOYCWYNULYBBX-IUCAKERBSA-N	238.291	-0.631	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)c1ncncc1B(O)O	2004912375	SDEBNIODHPDPED-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
CC(F)(F)C1CN(c2ccncc2B(O)O)C1	2004916878	QZWGFCYFWGTKME-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(C)c(B(O)O)cn1	2004918974	SLOCSXAYGGEKTA-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
CN(c1cccnc1)c1ccncc1B(O)O	2004929778	NNUURUSUOBPEDA-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
COC[C@H](Oc1ccc(B(O)O)cn1)C(C)C	2004951601	NUMFJQJGTAFHDL-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
Cc1nc(N2C[C@@H](C)C[C@H]2C)ncc1B(O)O	2004973815	ANRWRGIJPOVEMJ-JGVFFNPUSA-N	235.096	-0.300	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCO[C@@H]12	2007574267	PAJWFDRMHKVSPP-GWOFURMSSA-N	241.335	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]12C[C@@H](CO)C2	2011131833	HUYJXMGQDCYMMM-GMOBBJLQSA-N	241.335	-0.152	50	10	BBGE	
Cc1nccn1CCOC[C@H]1C[C@H]1C(=O)NN	2012464800	BHVJPQYNEHXCFM-NXEZZACHSA-N	238.291	-0.166	50	10	BBGE	
CCN1CCN(CC(=O)NNC(C)=O)[C@H](C)C1	2019211196	PSKCQKMYKDDMLM-SECBINFHSA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H](C(F)F)C2(CCC2)C1	2019916674	GKRLDZTURZOMMK-LURJTMIESA-N	247.245	-0.130	50	10	BBGE	
COCc1cc(C(=O)NCC=CB(O)O)no1	2020056286	JNILTFMOHNINBT-UHFFFAOYSA-N	240.024	-0.881	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccccc1B(O)O	2022197182	YTXNWUGFCNINRB-MRVPVSSYSA-N	239.055	-0.156	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1ccc(B(O)O)cn1	2025657585	BDQKFKCCOHNLIL-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1(F)CC1	2025671386	YKEHSRBIKLYDTO-UHFFFAOYSA-N	237.039	-0.515	50	10	BBGE	
Cc1cc(OCc2cn(C)nn2)cc(B(O)O)c1	2049635261	UOCFSZBNAMLNHH-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1nccn1C[C@@H](C)Cn1cc(B(O)O)cn1	2050449548	ZGHCPPGAPZPOJE-SECBINFHSA-N	248.095	-0.596	50	10	BBGE	
CCc1nc(CC)n(-c2ncccc2B(O)O)n1	2052599129	BNBXACUUIMKWEJ-UHFFFAOYSA-N	246.079	-0.533	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1COc2ccccc21	2076078788	KVRZJGAXNDYFAS-JTQLQIEISA-N	247.059	-0.153	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)ncn1	2076086230	YVTCVYPFHYQUNZ-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccccc1B(O)O	2079008389	IYUWJZMQOKWSHQ-CMPLNLGQSA-N	245.087	-0.105	50	10	BBGE	
OB(O)c1csc(CN2CC(F)C2)c1	2209686007	KTLZKQGHWPCUKM-UHFFFAOYSA-N	215.058	-0.418	50	10	BBGE	
CN(Cc1nscc1B(O)O)C1(C)COC1	2211136840	WWUQCGVKMRPOAW-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
C[C@H](CN(C)C)Nc1ncccc1B(O)O	2212600666	FCFADKDWVDGDRX-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1ncccc1B(O)O	2212604246	NNGBZZIAHGUHGZ-SFYZADRCSA-N	224.069	-0.734	50	10	BBGE	
C#CC(C)(C)CNc1ncc(B(O)O)cn1	2212606168	POXUFFYUMRPJKO-UHFFFAOYSA-N	219.053	-0.772	50	10	BBGE	
CCN(C)CCOc1ccc(B(O)O)cn1	2212606762	ZRNIGANEIGFIAM-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
C[C@H](CCCN)Oc1ccc(B(O)O)cn1	2212609612	UNGNTAAMDORXCO-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2212613187	SZBLTJMFRQDBCQ-IONNQARKSA-N	222.053	-0.792	50	10	BBGE	
Cc1nc(OC[C@]2(F)C[C@H]2C)ncc1B(O)O	2214487432	ANQLBRCTNFDATG-LHLIQPBNSA-N	240.043	-0.408	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCO[C@@H](CF)C1	2215777296	RQAOQMYJAARQNX-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
CN1CC[C@H](Nc2nccc(B(O)O)c2F)C1	2217180267	RRXIOUOELDFAHO-ZETCQYMHSA-N	239.059	-0.984	50	10	BBGE	
CC1(C)C[C@@H](Nc2cc(B(O)O)ccn2)CO1	2217184308	RUYASPZTTQAIJQ-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
CCCCOCCN=c1ccc(B(O)O)c[nH]1	2217196321	FHGXEPPSXWJPPH-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
CCCN(CCOC)c1cc(B(O)O)ccn1	2217200011	QGEQJWMSPIWXHO-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNc1ncccc1B(O)O	2217201536	YNMQLEWLHUEQSH-RKDXNWHRSA-N	235.096	-0.971	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)on1	2217203966	CKYKBGYKYTTWSD-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(NC[C@]2(F)CCOC2)c1	2217205168	UUDQCOZPLMNRAC-SNVBAGLBSA-N	240.043	-0.698	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CC[C@@H]1N	2220061785	DJUWTDZRCYLPGJ-MFKMUULPSA-N	248.135	-0.465	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1Cc1cccc(B(O)O)c1	2220065734	QTAVQTJXGRAHOU-QWRGUYRKSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1COC[C@@H]1C1CC1	2223639104	PPBSQMYLGLCGGQ-KOLCDFICSA-N	248.091	-0.402	50	10	BBGE	
C#CCN(c1nccc(B(O)O)c1F)C1CCC1	2223639927	HXKJLWYBAPENSG-UHFFFAOYSA-N	248.066	-0.107	50	10	BBGE	
Cc1cnc(N2CCN[C@@H]3CC[C@@H]32)cc1B(O)O	2223647136	TYZYJOVDHDEUHO-MNOVXSKESA-N	247.107	-0.990	50	10	BBGE	
OB(O)c1ccnc(OC2C[C@@H]3CC[C@H](C2)N3)c1	2223659490	HNKASGPJHRTBGY-ZACCUICWSA-N	248.091	-0.577	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1Nc1cc(B(O)O)ccn1	2223669010	FCTKZNZDINSAIX-GDGBQDQQSA-N	249.123	-0.583	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1cc(B(O)O)ccn1	2223669300	IINZHRPZKMSKQH-OEIWMXHLSA-N	247.107	-0.701	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	2242027484	VIRDBVSQBRSGRW-VQVTYTSYSA-N	220.700	-0.172	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1coc(B(O)O)c1	2243346792	CUPRYGJIZLFFEB-CAHLUQPWSA-N	227.000	-0.953	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243356737	MIPAJTBOAGJWNN-DOLQZWNJSA-N	221.065	-0.590	50	10	BBGE	
CCc1cc(=NC(=O)C2(B(O)O)CC2)[nH][nH]1	2243364619	ZXSMLBGWTMDJFR-UHFFFAOYSA-N	223.041	-0.661	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1sccc1B(O)O	2243375841	ZFYDEADAUVWBPU-SSDOTTSWSA-N	237.089	-0.290	50	10	BBGE	
O=C(NC1CC=CC1)c1csnc1B(O)O	2243378015	LEMLKTUTFVCMBI-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)sn1	2243378689	XUNDTDPKFFVILD-FSPLSTOPSA-N	240.093	-0.697	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)cs1	2243385867	PVKAIBMMKYOJAY-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
CCN(OC)C(=O)c1c(C)nsc1B(O)O	2243386330	YHJAZKSHOSQEIU-UHFFFAOYSA-N	244.081	-0.845	50	10	BBGE	
CNCCCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243396136	IBQASAOFKUPPLX-IUCAKERBSA-N	228.101	-0.693	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1O)C1(B(O)O)CCC1	2243410738	GYJNHWYYYJTWGY-YUMQZZPRSA-N	227.069	-0.587	50	10	BBGE	
O=C(NCC(F)(F)C(F)F)[C@H]1C[C@@H]1B(O)O	2243427660	YRRCAIYNFGUFFG-IMJSIDKUSA-N	242.965	-0.134	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)C[C@H]2CCCC[C@H]21	2246603753	TUPWHVJBFKARIN-IWSPIJDZSA-N	241.291	-0.872	50	10	BBGE	
Cc1cc(F)cnc1C(=O)NCC#CB(O)O	2247481386	ZYHITMROSLONSG-UHFFFAOYSA-N	236.011	-0.726	50	10	BBGE	
O=C(N1CCOC2(CC2)C1)C1(B(O)O)CCC1	2247733567	OIJVQPRJQHUXSK-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
CCC[C@H](NC(=O)C1(B(O)O)CCC1)C(N)=O	2247734367	SLOHMCBDOHSERW-ZETCQYMHSA-N	242.084	-0.846	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ccncc1B(O)O	2247734795	JSCVMHQGGWPYFI-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
CCC[C@]1(O)CCCN(C(=O)C#CB(O)O)C1	2247741840	GPAJNDFOOFTVIM-NSHDSACASA-N	239.080	-0.845	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)C1CC(B(O)O)C1	2247797925	OKYQFBBULRXECR-IDKOKCKLSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247800265	NGXUUXWLYBCDAE-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2CNC[C@H]21	2247806587	GCPZSLUMSYPLEY-QCLAVDOMSA-N	238.096	-0.940	50	10	BBGE	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@H]1B(O)O	2247808609	VNRPHVNXYIYDMG-VHSXEESVSA-N	236.080	-0.154	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(n2cccn2)C1	2247810473	XSRMUNADZFJROH-BDAKNGLRSA-N	235.052	-0.871	50	10	BBGE	
C[C@H]1OC2(C)CC1(CNC(=O)C#CB(O)O)C2	2247841743	LLZNALFXIXCOTP-MFAVDMRSSA-N	237.064	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@@H]2CCCC[C@@H]21	2247847676	AEQJPGLGIIGPSM-VHSXEESVSA-N	237.064	-0.828	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CNC[C@H]1C2)C1(B(O)O)CC1	2247870876	RHPAWGPQCDIPGB-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(CCC2)C1	2247878693	PGQAHEJPGVMDNP-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	2247893139	MVJHKOVBDNNGHQ-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2C[C@H]2B(O)O)n(C)c1C	2247898778	HQRGPAYORLGLLM-HTQZYQBOSA-N	237.068	-0.162	50	10	BBGE	
NC1CCC(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247899142	KSTBEKYGHUHFLS-HORUIINNSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)N1	2247909549	KMPIJHRAMSXILA-BQKDNTBBSA-N	240.112	-0.552	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@H]2C1	2249426927	BFBQOPWTLCNBNI-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
CC1(CCNC(=O)c2ccncc2B(O)O)CC1	2255458204	OCLOYAKRBXHHRS-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1cocc1CNC(=O)c1ccc(B(O)O)o1	2255470078	XZOWRGRZISXRDQ-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#CCCNC(=O)c1ccc(OC)cc1B(O)O	2255525546	FSHNXUCUPPPQAX-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
CN=c1ccc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)c[nH]1	2255562037	PLTOITZLYUCGBL-OCAPTIKFSA-N	249.079	-0.263	50	10	BBGE	
O=C(Nc1ccccc1F)c1c[nH]nc1B(O)O	2255571776	RSLCLXLXGKBJHM-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C#CCCN(C)C(=O)c1cccc(C)c1B(O)O	2255736075	GILPKRQLDJXHLM-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2255738512	UNBLXTYJUVRDPV-MBTKJCJQSA-N	249.075	-0.170	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cc(B(O)O)ccc1O	2256016717	MUHAYTJCYUHTFC-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)ccc1O)C1(C)CC1	2256018676	PVEPYLLCQXJESG-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
CN(C(=O)c1nccnc1B(O)O)[C@H]1CC1(C)C	2256049132	ZLPGJQLUEMBYAF-ZETCQYMHSA-N	249.079	-0.973	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ncccc1O	2256597988	LLNDXYQDUUUEIT-QMMMGPOBSA-N	248.047	-0.382	50	10	BBGE	
CC#CCC(=O)N1CCc2ccc(B(O)O)cc21	2256674155	IFTJCBCTYXCJTP-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
C#CCCN(CCC)C(=O)c1cocc1B(O)O	2258139232	UMKJUEDHQWZLDE-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
CCC[C@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369252	OFNPOQMPLVJWIC-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)O1	2298376768	NIRIQFKZMZXLNZ-SPFKKGSWSA-N	241.096	-0.221	50	10	BBGE	
CC(=CC(=O)N1CCC(B(O)O)CC1)C(=O)O	2299150593	NSVNNHGEAXQFEG-UHFFFAOYSA-N	241.052	-0.517	50	10	BBGE	
CCOC(=O)CCC(=O)N1CC[C@H](B(O)O)C1	2303107844	BZJYKAWWNREUCR-QMMMGPOBSA-N	243.068	-0.595	50	10	BBGE	
COC[C@@H](OC)C(=O)N1CC[C@@](C)(B(O)O)C1	2303108826	LDXAYNHHLXADAO-PSASIEDQSA-N	245.084	-0.887	50	10	BBGE	
CC1(C)CC(=O)N[C@@H]1CN1CC[C@@H](B(O)O)C1	2303133319	KJKFLPBOMDGJLX-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](C#N)CN(C)c1cc(B(O)O)c(F)cn1	2303835234	SRWXYLCIXHPGJI-SSDOTTSWSA-N	237.043	-0.504	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2[C@H]3CC[C@H]32)[nH]cc1F	2303835369	VWMRLWCMPAYJKF-JIGDXULJSA-N	236.055	-0.610	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)n[nH]1	2312849513	AUKGVODIJAEPBO-FXQIFTODSA-N	249.079	-0.992	50	10	BBGE	
O=Cc1ccc(N[C@@]23COC[C@H]2C3)cc1B(O)O	2317348647	QCZISVZGTYOFEM-SKDRFNHKSA-N	247.059	-0.620	50	10	BBGE	
C[C@H](CC(=O)NN)NC[C@H]1CCCO1	58852349	LZOPSLYJJZNKGQ-HTQZYQBOSA-N	201.270	-0.477	50	10	BBGE	
CCCc1nc(N)nc(C)c1C(=O)NN	66134383	HIGSZDBJFKYXSS-UHFFFAOYSA-N	209.253	-0.077	50	10	BBGE	
CC(=O)NNC(=O)CSCCC#N	82692965	WUNNBLPSWNHKML-UHFFFAOYSA-N	201.251	-0.199	50	10	BBGE	
C[C@H](CSC[C@H](C)CN)C(=O)NN	85320038	CFHFLJQFGGWDQN-RNFRBKRXSA-N	205.327	-0.060	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC(=O)N(C)C	86313404	AACRBHULKNGRCW-YUMQZZPRSA-N	230.312	-0.979	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN2CCC[C@@H]2C1	110584496	YAJWNACZRXLTOB-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCCOC)CCOC	110590251	OENBMCRSIDWSPS-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CCCN(CCCC(=O)NN)CC(=O)N(C)C	110597603	VXXKPMOCDYFLSZ-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
Cc1oc(Cn2cnccc2=O)cc1C(=O)NN	111403009	MFEDVLVAOXYDPS-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
N#CC1(N=C=O)CCS(=O)(=O)CC1	125268357	ITKXRSFVQFMWPX-UHFFFAOYSA-N	200.219	-0.207	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H]1N(C)C	125709553	QVGAPOBGGPWOHI-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
O=c1ccncn1Cc1ccc(F)c(B(O)O)c1	198826732	ITXIUWHUKNHPGM-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
C[C@H](N)C(=O)N[C@H](CCl)P(=O)(O)O	225880449	MZXKEICQABDUOP-IMJSIDKUSA-N	230.588	-0.808	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)C1CCC1	228568846	YWESPMSSKVYOGS-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(O)cc1F	232390604	CZPLGHVOKGHOOF-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
O=C(O)CNC(=O)NNC(=O)c1cccs1	261309234	RXRWVCXVXKIMFS-UHFFFAOYSA-N	243.244	-0.223	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	300021539	VUGQEIGQYULHHG-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
C[C@H]1CN(CC(=O)NNc2ccccn2)C[C@H]1N	300092872	VHZOELUESSLSKS-VHSXEESVSA-N	249.318	-0.196	50	10	BBGE	
CSc1cc(B(O)O)c2nc[nH]c2c1	306669161	ATJQGEPADNODMX-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
C[C@@H]1CCN(CC(=O)NN)CCS1	306740906	UHSAGBWPDPWLOK-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC[C@H]1C	306960092	BBWZDZDVWGWQCB-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
Cc1c(Br)ccnc1B(O)O	307308478	WKIPZOZQCBWFSQ-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
Cn1cc(C(=O)N[C@@H]2COC[C@@H]2Cl)nn1	307622316	HBECOKJNEBHKIU-CAHLUQPWSA-N	230.655	-0.449	50	10	BBGE	
CC(C)(SS(C)(=O)=O)[C@@H](N)C(=O)O	308145717	YHOSXUIHCWFVMV-BYPYZUCNSA-N	227.307	-0.130	50	10	BBGE	
Cn1ncc(C(=O)N2CCOC[C@@H]2CCl)n1	309165048	TVWBDTFITMKRKM-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
NC[C@H]1CCCn2ncc(C(=O)NN)c21	309651495	XYNVHBBJUDJABL-ZCFIWIBFSA-N	209.253	-0.677	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@@](C)(CN)C1	310297328	PEKNRCXNGUDEGS-KCJUWKMLSA-N	242.323	-0.930	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)C(=O)NN)CCCO1	378803981	WQRSEHKVPHFRBD-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
COC1(C)CN([C@@H](C)CCC(=O)NN)C1	382604682	QXUXWPJIMAXDOO-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
O=C1N[C@@H](c2ccc(B(O)O)cc2F)CO1	382645945	XQRJMECHYPIDDN-MRVPVSSYSA-N	224.984	-0.714	50	10	BBGE	
CCC1(O)CN([C@H](C)CC(=O)NN)C1	384146185	OEOWDEQWQFCHJB-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CC(C)(C)[C@@H](SC[C@@H](O)CO)C(=O)NN	396043738	UIBOANYPIIGKEP-BQBZGAKWSA-N	236.337	-0.523	50	10	BBGE	
N#Cc1sc2c(CO)cccc2c1B(O)O	396213790	DHWGJYFVYMUWLG-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
NNC(=O)COCCOCC1CCC1	400762631	SHSFTNGZDJLELD-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
C[S@](=O)Nc1cc(Cl)ccc1B(O)O	404807685	AVNHYAZDEWLPQK-AWEZNQCLSA-N	233.485	-0.275	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ncc(B(O)O)s1	404962182	DDUHAXFFKYFAGD-YFKPBYRVSA-N	228.082	-0.193	50	10	BBGE	
C[C@H]1N(CC(=O)NN)CCOC1(C)C	606275468	CIJSZGKORNWUQB-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](N)CC(=O)N1CCC(O)(C#N)CC1	692113548	LBRWZVDFZXEHLY-QMMMGPOBSA-N	211.265	-0.399	50	10	BBGE	
CCN(C[C@@H](C)O)C[C@@H](C)C(=O)NN	692162257	YVWFBAZMMUKKON-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C[C@H](O)CCl	698121151	YLUVFVWFTJWUKH-IWSPIJDZSA-N	223.700	-0.596	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=S)ccc1C#N	700853495	ARZMFLRUSRQAIV-UHFFFAOYSA-N	235.272	-0.260	50	10	BBGE	
CO[C@@H]1CN[C@@](C)(C(=O)NN(C)C)C1	701574348	FXWRZKNPAGMDHL-IONNQARKSA-N	201.270	-0.654	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)[C@](C)(C(=O)O)C1	702723017	IRIZOGHGCNCEAT-XCBNKYQSSA-N	245.279	-0.263	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1ccnc(B(O)O)c1	704344660	YDEKCVZLKZSHLR-CPCISQLKSA-N	234.064	-0.254	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC1(C)C	706768792	KRROFOWGBHYYDS-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CN1CC(n2ccnc2)C1)C(=O)NN	707390128	ZMEMVKZZWRNWJQ-QMMMGPOBSA-N	223.280	-0.634	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC12CCOCC2	707414002	KVYPFPVFLWBHIC-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CCNC(=O)N1CCCc2cc(B(O)O)ccc21	712134075	SQMFJNSKPSVIEG-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
C[n+]1cc(N[S@+]([O])(=O)CCCl)[nH]n1	725598439	AXCSCJUOGREBHN-ZDUSSCGKSA-O	225.681	-0.355	50	10	BBGE	
NC(=O)NC[C]1CC=C(B(O)O)S1	725599431	PPDGCBCXIJROOQ-UHFFFAOYSA-N	201.036	-0.781	50	10	BBGE	
CCOC(=O)CC(=O)NNC(=O)c1ccoc1	761657452	UODCZUNOAKJCKI-UHFFFAOYSA-N	240.215	-0.006	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CCCC2)nn1	808220408	FPDXQKKZAMHPMT-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(C)(F)F)nn1	855187548	IWRRKILFHCVVKR-UHFFFAOYSA-N	233.178	-0.769	50	10	BBGE	
COC1CC(C(=O)NNc2nnc(C)n2C)C1	862218185	FUYBSLHKLQVGKB-UHFFFAOYSA-N	239.279	-0.008	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H](O)/C=C\C	887152005	RTNGOIBWVIAPLR-WYDVEAGSSA-N	224.260	-0.126	50	10	BBGE	
COC1(C(=O)NN(C)C[C@H](C)O)CC1	910140069	GTJWNTBIBODXGX-ZETCQYMHSA-N	202.254	-0.491	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1OC	929242224	KAMPBQPFEOMJQP-RNFRBKRXSA-N	229.305	-0.297	50	10	BBGE	
COC(=O)NNC(=O)c1cc(C#N)ccn1	1117333441	ZFXVTVSLJICOHU-UHFFFAOYSA-N	220.188	-0.046	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ccnc(F)c2)CO1	1138150397	DWSRHDFNGZCQRK-LURJTMIESA-N	240.194	-0.228	50	10	BBGE	
CN1CC[C@@H](C(=O)NNc2ccncn2)CC1=O	1298158752	UYCFLJSUUGVTIW-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H](C#N)CO	1330849044	SEUYJZLZSOHNEU-CZEYKFRCSA-N	209.205	-0.569	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)c1ccnnc1	1342374763	MUFQOJGICVZKDS-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
COc1cccnc1C(=O)NNc1nc[nH]n1	1457837700	PORYZUUHENFEFL-UHFFFAOYSA-N	234.219	-0.035	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C1=C[S@@](=O)CCC1	1468765492	VRQCUPICAUCADY-PWJLMRLQSA-N	246.332	-0.243	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1ncon1	1539050182	BAGWIKUWXLTJJS-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCCCNC(N)=O	1542414938	HTESRXLHLSZRNU-UHFFFAOYSA-N	245.283	-0.873	50	10	BBGE	
CC(C)C[C@@H](C(N)=O)C(=O)NN(C)C(N)=O	1596547189	RRFXCKGSUWGILM-LURJTMIESA-N	230.268	-0.824	50	10	BBGE	
CC#CC(=O)NNC(=O)c1ncccn1	1643046004	PLLBQYWAIPRRCM-UHFFFAOYSA-N	204.189	-0.739	50	10	BBGE	
Cn1ccc2ccc(C(=O)NNC(=O)CO)cc21	1650909837	RPUMGSQMDLQAMW-UHFFFAOYSA-N	247.254	-0.068	50	10	BBGE	
COC(=O)N(C)NC(=O)NCc1nonc1C	1683803883	KVBYKCULMXIOOV-UHFFFAOYSA-N	243.223	-0.210	50	10	BBGE	
CO[C@@H]1C[C@@H]1NS(=O)(=O)CCCl	1881095719	VVRODTOAORSGEZ-NTSWFWBYSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H](CCC(=O)NN)SC1CNC1	1882120787	MEOPEDNUWAGIGB-LURJTMIESA-N	203.311	-0.150	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883645542	PTHIZCVTXADXGG-VWDOSNQTSA-N	207.657	-0.528	50	10	BBGE	
OC[C@H](O)[C@@H]1CCCN1C[C@@H](O)CCl	1885362220	APMYDAQRCFLPFS-CIUDSAMLSA-N	223.700	-0.596	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CCOC2)CC1	1886076677	KYZKIDPZCTZFFY-ZETCQYMHSA-N	200.238	-0.438	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H](C)O	1888561517	DXWGJBWZVKTHHG-LURJTMIESA-N	224.282	-0.930	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2C[C@]2(O)C1	1895058568	NFHUYEGQWZLDLI-CDLYGTGVSA-N	225.292	-0.931	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NN(C)S(=O)(=O)C2CC2)N1	1901348220	DWNJPJTVPIGDIO-SVRRBLITSA-N	247.320	-0.808	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCn2ccnc2)C1	1902505469	IJXAHGJQGPBDMF-SNVBAGLBSA-N	223.085	-0.178	50	10	BBGE	
CC1CC(S(=O)(=O)N2CC[C@H](B(O)O)C2)C1	1902539024	KTEVOBONMGGJFK-MGURRDGZSA-N	247.125	-0.337	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](F)C1=O)C(=O)NN	1902719138	CQZAKRSLYBGOOJ-XVKPBYJWSA-N	231.271	-0.037	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)CN(C)C	1904707747	MMMDAVRAVFUUJE-GUBZILKMSA-N	230.356	-0.117	50	10	BBGE	
CP(C)(=O)COc1nc(B(O)O)cs1	1905190536	ZXWKWJDENNGPFG-UHFFFAOYSA-N	235.010	-0.218	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@H]3C2=O)C1	1908359163	SMGXUEUOPKWLJH-SGIHWFKDSA-N	237.303	-0.129	50	10	BBGE	
CN(C[C@@H]1CCC[C@H](C(=O)NN)O1)C1COC1	1909805523	PHCKXUSPCLZIGQ-VHSXEESVSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCCCC(=O)NN	1914262339	NLUJRRFEKCOJEA-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)CC(C)C	1916312272	PHTIOIINQSGRMO-UHFFFAOYSA-N	225.292	-0.255	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917088634	WFVHHDKVQMCXAD-WCBMZHEXSA-N	233.287	-0.593	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NS(=O)(=O)CCl	1922133753	OIKPGSOYEGKFJF-RNFRBKRXSA-N	242.728	-0.569	50	10	BBGE	
Cn1ncnc1SC[C@@H]1C[C@H]1C(=O)NN	1927915244	DOWGUQJZTYMZKQ-NTSWFWBYSA-N	227.293	-0.467	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CCC[C@@H]1O	1935929418	ONRXEGXUTZTVSO-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCN1C	1936093152	BFTVPZZGVFYASY-BBBLOLIVSA-N	226.324	-0.752	50	10	BBGE	
CSC1CCN(CCOCC(=O)NN)CC1	1936538707	ZOOLZYAELSFSOS-UHFFFAOYSA-N	247.364	-0.180	50	10	BBGE	
NC(=S)NNC(=O)C[C@@H]1CN2CCC1CC2	1938322364	CPNXUYODICQZOV-MRVPVSSYSA-N	242.348	-0.417	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C[C@@H]1F	1939262573	HLKFOTOLBCUZJD-BDAKNGLRSA-N	233.287	-0.327	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@H]21	1940728639	XDLKBEMVAAPELM-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@@H]1C[C@H]1C(=O)NN	1941094309	LYZCRWGHKIHWIJ-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
OB(O)c1ccc(OCCN2CCCO2)cc1	1942621785	ZQHHQHAVVGRCAR-UHFFFAOYSA-N	237.064	-0.618	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCC[C@H]1C(F)F	1951321755	FMCLDHXNKJDXDF-RITPCOANSA-N	221.012	-0.204	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccc([N+](=O)[O-])cn1	1952977311	XCBOCLGLSOFDDL-HTQZYQBOSA-N	208.177	-0.126	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@]12CC2(F)F	1956907071	WMXLFQOMZXNMFL-NJGYIYPDSA-N	204.969	-0.840	50	10	BBGE	
CCCOC(=O)N[C@H](CB(O)O)C(=O)O	1958871073	VVJCZGARCNBZDS-RXMQYKEDSA-N	219.002	-0.951	50	10	BBGE	
CC[C@H]1CCN1c1ccc(B(O)O)cn1	1961691624	PKYXOANJLRJHNV-VIFPVBQESA-N	206.054	-0.250	50	10	BBGE	
CCN(CC)c1nc(C)ccc1B(O)O	1961718374	NVRQNQZMAUXYEJ-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
C[C@H](Cl)CC(=O)N(C)[C@@H]1CC(=O)NC1=O	1962374170	UDKOAESKTKTAGV-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H](C)[C@H]1C	1977236691	DVWZBGYDJPQEAH-JXUBOQSCSA-N	229.324	-0.175	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@H](O)C1	1980522510	ZZOFFPLNIJNOED-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](c1cccnc1)N(C)C(=O)C(=O)NN	1980747324	HMFITMXJKMYMRW-ZETCQYMHSA-N	222.248	-0.409	50	10	BBGE	
CCOCC(=O)N1CCN(CCCl)C(=O)C1	1981018723	DPVWTXRDZRPHFW-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
CC(C)(CCN1CCO[C@H]2C[C@@H]21)C(=O)NN	1981143520	MBPCWIWQJXWITC-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1981217897	YRYLIMLPBNXUEG-XFWSIPNHSA-N	227.308	-0.544	50	10	BBGE	
Cc1cc(N(C)[C@@H]2C[C@@H]2C)ncc1B(O)O	1981530564	OBGAMTWQJFWHDZ-WCBMZHEXSA-N	220.081	-0.086	50	10	BBGE	
CN(C)CCOCc1cnc(C(=O)NN)s1	1982818723	JZDKPONYLFBFTB-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@H]1Cl	1991681317	ZLXCNDGXAHPEEF-DTWKUNHWSA-N	239.467	-0.068	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@H]2C[C@H]21	1995196792	BHCXDRGUAKIWHE-LKEWCRSYSA-N	220.037	-0.666	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1C=CCCC1	1998136905	FYZCWQJVZKFWJV-YUMQZZPRSA-N	241.052	-0.615	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2001838116	ZJUKEQYIJWFXPB-ZFIOGYDESA-N	239.319	-0.423	50	10	BBGE	
CN(CCn1cc(C(=O)NN)nn1)C1(C)CC1	2003363072	MZGVOJVKFIBVID-UHFFFAOYSA-N	238.295	-0.634	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCC#N)CC1CC1	2003765791	NXHPQTXTESMGTJ-SNVBAGLBSA-N	240.307	-0.383	50	10	BBGE	
CC(C)N(CC(F)F)c1ncncc1B(O)O	2004916067	HKHKXZYUNCYYIB-UHFFFAOYSA-N	245.038	-0.364	50	10	BBGE	
Cc1cc(C)n(-c2ncc(B(O)O)cc2F)n1	2005010043	WOXYVLJAERYBSQ-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975546	QRLHCZDCXQAHOR-FXQIFTODSA-N	249.261	-0.543	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008976076	WJKLNIZPQXIEST-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CO)CCC1CC2	2009105889	WPDFSERBWZDGGB-SQLBVSGCSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)C2(CC2)C1	2014772600	VUZCGZOAGQCHIO-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@@H](C)O[C@@H]1C	2019211486	QGQBKHBDCNKEAO-NQMVMOMDSA-N	243.307	-0.349	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H]1CCCO1	2019211840	REQZPBCYRSIFSE-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CC12CC(C(=O)NCC#CB(O)O)(CCO1)C2	2021106572	HRXLXDLJANGXRR-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
C=C(CN(C)Cc1nnnn1C(C)C)B(O)O	2021163348	RPXXUQZSBZSAGB-UHFFFAOYSA-N	239.088	-0.746	50	10	BBGE	
C=C(CN1CC[C@H](OC)[C@](C)(OC)C1)B(O)O	2023275258	CQAFGKDQUFZPRT-WDEREUQCSA-N	243.112	-0.320	50	10	BBGE	
CN(Cc1cnn(C)c1)c1ccc(B(O)O)cn1	2052472474	MAMLDLIPXUGSBX-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
Cc1ocnc1CN(C)c1ncccc1B(O)O	2052499155	OUFQKFHXRTYALR-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1nc(N2CCC[C@@H]3CC[C@H]32)ncc1B(O)O	2052551699	ITCNXAMHHAAFMG-MWLCHTKSSA-N	247.107	-0.156	50	10	BBGE	
C#CCOC(=O)NCCc1ccc(B(O)O)cc1	2058047815	YXUJRUABTJXKMU-UHFFFAOYSA-N	247.059	-0.732	50	10	BBGE	
CCOc1ccc(B(O)O)c(C=O)c1C#N	2060186930	ZEAUPLRTYOWKDF-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2COC[C@@H](C2)C1	2068703062	KWDTZDQOAMLVLX-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCCc2nccn21	2076081047	FOXWZBDBFPDXBQ-VIFPVBQESA-N	249.079	-0.555	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@@H](C2)C3)n1	2077856410	NAOCCEIOOOVPIZ-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2CC[C@H]21	2079010961	WXJCRDJVOFCHBK-JOYOIKCWSA-N	245.087	-0.009	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@]12CNC[C@H]1C2	2210021408	OMJBNISMPNKXCP-MUWHJKNJSA-N	214.652	-0.214	50	10	BBGE	
CN1CC[C@@H](COc2ccncc2B(O)O)C1	2215660572	PDKUDETTWOPCBA-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
C=CCCOC(=O)Nc1ccc(B(O)O)cn1	2216298284	LYZWHIPNEODTDZ-UHFFFAOYSA-N	236.036	-0.114	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(CCOCC(=O)NN)C2	2216684831	RFMOORVRDSWFHN-MWLCHTKSSA-N	243.307	-0.896	50	10	BBGE	
Cc1cnc(OC[C@H]2CCCO2)cc1B(O)O	2217168838	YQKVFLVNLLYCJL-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCCN2)c1	2217194382	VLPTZEWLHWBTQI-JTQLQIEISA-N	236.080	-0.718	50	10	BBGE	
CCC[C@@H](CO)CNc1ncccc1B(O)O	2217198687	FDZJEULCNYZHNE-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCOC1	2217205440	YYWUAFVFEVCZLY-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1OC1C[C@@H]2CC[C@H](C1)N2	2223617393	GGRQOQXUBZTKPC-ULKQDVFKSA-N	248.091	-0.577	50	10	BBGE	
CC1(C)CNC[C@H](Nc2ccc(B(O)O)cn2)C1	2223625101	COLKNAOQWYPYLY-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCNCC12CC2	2223627279	LSPXQJRKRPBUTB-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNc1ncccc1B(O)O	2223669759	OCXPBLHTWDMOPG-ZJUUUORDSA-N	249.123	-0.581	50	10	BBGE	
CN(Cc1ccn(C)n1)c1cc(B(O)O)ccn1	2223673318	KACQPNPTZLLSKW-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CN1CCC(CNc2cc(B(O)O)ccn2)CC1	2223675728	SQVPLHRIBAIQNF-UHFFFAOYSA-N	249.123	-0.485	50	10	BBGE	
NNC(=O)CN1CC(F)(F)C2(CC2)C1	2242386196	SZKUAFFAOOKVKQ-UHFFFAOYSA-N	205.208	-0.293	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@](CF)(C(=O)O)C1	2243268248	ZJOZBJAZIAZVGJ-VIFPVBQESA-N	233.243	-0.081	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1coc(B(O)O)c1	2243347113	HLSFMTMMXMXCPF-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
C=C1CON(C(=O)c2ccsc2B(O)O)C1	2243359038	NYADGJJIYZDYKV-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
C[C@H](NC(=O)c1ccsc1B(O)O)C1CC1	2243361472	BUZIDXSCFOOKON-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)C1(B(O)O)CC1	2243363834	NELJDJJYYXIBBQ-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
C[C@H](CCO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243380983	BMQWLRHKOUDPPT-HLTSFMKQSA-N	229.085	-0.531	50	10	BBGE	
O=C(Nc1ccnnc1)[C@H]1C[C@H](B(O)O)C1	2243390851	CDOGUVLQUCCLDJ-LJGSYFOKSA-N	221.025	-0.332	50	10	BBGE	
CC[C@H](CCO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243395918	DWKHAMKMHNBMRP-VGMNWLOBSA-N	229.085	-0.626	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396468	MNIXHFNOYMKKAL-RBXMUDONSA-N	227.069	-0.779	50	10	BBGE	
O=C(NCCC(F)F)c1ccoc1B(O)O	2243398990	IPSROUSYFMOHJF-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H]1C1CC1)B(O)O	2243432663	CBTNCJLLBHXLCU-RKDXNWHRSA-N	245.109	-0.728	50	10	BBGE	
CN(CCOCC(=O)NN)CC[C@H]1CCO1	2246210831	PSZOFOHXOWTYOJ-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H](C)N(C)C	2246745794	YLCWHBREJSSVKJ-MRVPVSSYSA-N	238.096	-0.601	50	10	BBGE	
CCCOC1CCN(C(=O)C#CB(O)O)CC1	2247740181	HCUFIVWVICJSQL-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@@H]21	2247741592	BWLYILWHXZTPEK-XCBNKYQSSA-N	234.064	-0.681	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)C1(B(O)O)CC1	2247758709	WVQBWDTYKBACHT-WPRPVWTQSA-N	239.080	-0.464	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247786906	ILNIEBUJSTXMMX-JXUBOQSCSA-N	241.096	-0.341	50	10	BBGE	
NC[C@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247791630	NZBSMQDJQMDJNN-XNWIYYODSA-N	240.112	-0.563	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C(=O)C1CC(B(O)O)C1	2247797572	KYFVULYPMVLLGJ-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247804196	FRFBEVWGVUFKCR-OPRDCNLKSA-N	240.112	-0.421	50	10	BBGE	
COC(C)(CCNC(=O)[C@@H]1C[C@@H]1B(O)O)OC	2247809941	SMQQCQICORQTSZ-SFYZADRCSA-N	245.084	-0.635	50	10	BBGE	
CC(C)OCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247810451	XNGMOQXZDJNOCB-VHSXEESVSA-N	241.096	-0.267	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)o2)CCC1	2247849440	ZYESZHMFWUDCLX-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
Cc1cn(C)c(NC(=O)C2CC(B(O)O)C2)n1	2247852669	XXCWLEVELBFLQH-UHFFFAOYSA-N	237.068	-0.080	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247859533	NMZCJLHTIHWVBO-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247893943	ANTVNPVGXKTJSV-BBBLOLIVSA-N	243.112	-0.020	50	10	BBGE	
O=C(NCCCC1CNC1)[C@H]1C[C@H](B(O)O)C1	2247895891	CKLAEEFIZOLAGM-MGCOHNPYSA-N	240.112	-0.645	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247898449	DQIQWUNKQVLYOM-RGOKHQFPSA-N	240.112	-0.375	50	10	BBGE	
CCC[C@H](CCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900716	ZBNVLPYJYUBNBN-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	2252940160	XIVWWIZBPCNOKM-OCAPTIKFSA-N	237.259	-0.682	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]2CC[C@H]21	2255491484	YCHGRHICUFWIFR-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C=CCN(C(=O)c1ncncc1B(O)O)C(C)C	2255520596	MJCSHEKBKNHRGO-UHFFFAOYSA-N	249.079	-0.807	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)oc1B(O)O	2255564848	DCEWQAPVIMLOCA-MBTKJCJQSA-N	249.075	-0.204	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ccc(B(O)O)cn1	2255674966	SMGNGHLCUREWND-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
C#CCCN(C)C(=O)c1c(F)cccc1B(O)O	2255736955	WUXKQVUGMMZWQE-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CC#CCC(=O)N(C)Cc1cccc(B(O)O)c1	2256674469	ZTYJLZHASRFVBX-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cc1C	2257491759	PUIQXORNQYUNTN-WCBMZHEXSA-N	248.091	-0.402	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccc(O)c1O	2258959266	OVMAYLXVONRFKH-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)cc2C)C1	2261371716	MCWZMPAGVPRLQM-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C=C[C@H]2C3)nc1	2298224512	LHIIWZNGEGVMTP-KHQFGBGNSA-N	231.064	-0.467	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1CO2)C1(B(O)O)CC1	2298368139	PIOPNIRRMWNCFC-HRDYMLBCSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1CCO[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298376016	BNPVCIUCHBTBML-JLIMGVALSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376393	UXLDOEFURFXPBI-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
Cc1nc(OCC2CN(C)C2)ccc1B(O)O	2298944700	FOMVGMWWZLNDMD-UHFFFAOYSA-N	236.080	-0.990	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@@H](O)[C@H](F)C1	2300374804	VGZLPVLODWONCP-AXTSPUMRSA-N	245.298	-0.593	50	10	BBGE	
CCN1CCO[C@H](CN2CC[C@H](B(O)O)C2)C1	2303098831	HLUPSKRVUJITAJ-QWRGUYRKSA-N	242.128	-0.744	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@H](F)C1)C(=O)NN	2303410911	QTOSDJIDNBCHFL-FXPVBKGRSA-N	247.314	-0.203	50	10	BBGE	
CC[C@](C)(CN(C)[C@H]1COC[C@H]1O)C(=O)NN	2303413397	JKCUSIBXTRFVSO-IQJOONFLSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]2C(F)F)ncc1F	2303835822	CPHCHPWMVUTZSI-SSDOTTSWSA-N	245.997	-0.256	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@@H](F)C2)c1B(O)O	2307281866	HKRIEVSJIKIOHK-OCAPTIKFSA-N	240.043	-0.408	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H](N)C1CC1	2317208924	MWIKASAAHKYNQZ-NSHDSACASA-N	246.075	-0.646	50	10	BBGE	
C[C@]1(CNc2ncc(B(O)O)cn2)CC=CCO1	2317888036	KJBGKVIJQRUQAS-LLVKDONJSA-N	249.079	-0.697	50	10	BBGE	
Cc1ccc(CN(C)C[C@@H]2CCO2)cc1B(O)O	2318628778	FVJNTBLVUONTPN-LBPRGKRZSA-N	249.119	-0.104	50	10	BBGE	
CC[C@@H](C)NC(=O)C(C#N)=CNCC(=O)O	2324652098	ABCQJZFCOPUFNB-SSDOTTSWSA-N	225.248	-0.017	50	10	BBGE	
O=C1NC[C@H](I)C(=O)N1	3649502	YGKCTZPSAOUUMT-REOHCLBHSA-N	240.000	-0.371	50	10	BBGE	in-vivo
O=C=N[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	19732410	YAZYJQMZAJIFHB-JGVFFNPUSA-N	244.272	-0.890	50	10	BBGE	
O=C(Cl)CCC(=O)NCCN1CCOCC1	32022255	PQVQDKLLGKTDOG-UHFFFAOYSA-N	248.710	-0.020	50	10	BBGE	
NNC(=O)Cc1nc(COc2ccccc2)n[nH]1	40358900	ZWRPNNFVNYHMAD-UHFFFAOYSA-N	247.258	-0.084	50	10	BBGE	
CC(=O)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)OC(=O)[C@H]12	44005137	PGHHRSUGQVYXDF-HGIWHZBTSA-N	237.211	-0.854	50	10	BBGE	
O=C(O)c1nnn(C[C@H](O)CCl)c1C(=O)O	82312299	QUCYFTPETCRZGZ-GSVOUGTGSA-N	249.610	-0.726	50	10	BBGE	
CCN(CCCC(=O)NN)CCOC	82470198	JEESJBFVEGIYMV-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CN(C)C(=O)CCNS(=O)(=O)CCl	82512430	XKBOFNWUPKXXEV-UHFFFAOYSA-N	228.701	-0.420	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)NC[C@H]2C1	85807908	ZWDAKZYDGJBCSV-BQBZGAKWSA-N	231.683	-0.150	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN2CCC[C@@H]2C1	94468165	VNNFEKPIEORXTC-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)Cc1cc[nH]n1	106417582	PETZORWYOWMKHB-UHFFFAOYSA-N	247.258	-0.248	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1CC(C)(C)C(=O)NN	122374129	NZFKPFSBAWTVSR-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)CO	161005358	KLYSCCHJZPMHAD-RXMQYKEDSA-N	206.267	-0.732	50	10	BBGE	
N[C@H]1CCCC[C@H]1C(=O)N1CCC[C@H]1B(O)O	195938048	MDMCBELABOQWEC-UTLUCORTSA-N	240.112	-0.493	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093582	BDUFBYMFKHFDTA-ZJUUUORDSA-N	228.340	-0.363	50	10	BBGE	
CN(C)NC(=O)c1cc(N)ncc1[N+](=O)[O-]	234231930	WBEUXIZAIPEGLV-UHFFFAOYSA-N	225.208	-0.222	50	10	BBGE	
O=C1CC(=O)[C@@H](Br)C(=O)O1	238013251	LTOXESNTMWIPRV-SCSAIBSYSA-N	206.979	-0.208	50	10	BBGE	
CCc1nn(C)c2ncc(B(O)O)cc12	238289090	VTDYGSQKILCBKZ-UHFFFAOYSA-N	205.026	-0.790	50	10	BBGE	
COC(=O)c1cnc(Cl)cc1B(O)O	238330799	PQZYBHYWXZSPJF-UHFFFAOYSA-N	215.401	-0.799	50	10	BBGE	
NC(N)=NC(=O)c1ccc(C(=O)Cl)[nH]1	238602974	JXIHETXWIJFEPL-UHFFFAOYSA-N	214.612	-0.193	50	10	BBGE	
NNC(=O)C(=O)n1c(N)nc2ccccc21	238654413	DHKQETBCRRQURV-UHFFFAOYSA-N	219.204	-0.751	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	252610147	ULGLMGFOJISZOT-IUCAKERBSA-N	244.339	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1C[C@@H](C)O	304544802	LJKPBHDBJVJGGE-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
NC(=O)[C@]1(O)CCN(CCBr)C1	306161890	FBYWYDJDYFFXQO-ZETCQYMHSA-N	237.097	-0.697	50	10	BBGE	
CC[C@@H](CSS(=O)(=O)O)NC(=N)N	308132022	JWOWPCPIPOMNGK-BYPYZUCNSA-N	227.311	-0.216	50	10	BBGE	
CC(C)(C=NNC(N)=O)[C@H](O)C(=O)O	308351824	MEXYXRBCFKOLSF-SCSAIBSYSA-N	203.198	-0.888	50	10	BBGE	
CC[C@H](O)C(=O)NNC(=O)CSC	308421209	OUTDWGBDUBXXFQ-YFKPBYRVSA-N	206.267	-0.732	50	10	BBGE	
Nc1cnnc(NNC(=O)[C@@H]2CCO2)c1Cl	309559974	OAEAIKMRGHVILY-YFKPBYRVSA-N	243.654	-0.056	50	10	BBGE	
C[C@]1(CO)CCN(CCC(=O)NN)C1	381363137	KUAFAZMSNWAFSQ-VIFPVBQESA-N	201.270	-0.929	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382977348	SIURMDLRFBTOAF-NKWVEPMBSA-N	203.286	-0.544	50	10	BBGE	
COc1c(B(O)O)cnc2c(OC)cccc12	383828579	NOBCDQUGKHLMPE-UHFFFAOYSA-N	233.032	-0.068	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC(O)C2)cc1	384101190	FHCRCWAFNWZYDZ-UHFFFAOYSA-N	235.287	-0.605	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C(=O)NN)C(C)(C)C	395614723	NHVKZJFMUWSJCV-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1C#N	396086946	AOMHHMHBWZPXPF-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
COCC1(CC(=O)NNC(N)=S)CC1	401448230	OHLSMGDUDPWQCG-UHFFFAOYSA-N	217.294	-0.333	50	10	BBGE	
CC(C)[S@](=O)NCc1sccc1B(O)O	404836815	IBOPNBSUGCXGQN-HNNXBMFYSA-N	247.150	-0.410	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1cnns1	405054700	KPSVKVCXPWNQGJ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1OC	687462842	SRUMNIBTMGTFAR-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
OB(O)c1ccc(-c2cncnc2)nc1	689650779	QQROOODXYRCQLK-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2CC2(F)F)c1	694535657	NJXJIXGRCIWKMQ-LURJTMIESA-N	215.996	-0.392	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1CO	700397840	BPGXKGHSDSXIST-GWOFURMSSA-N	243.351	-0.049	50	10	BBGE	
O=C(OCCl)N1C[C@H](CO)[C@@H](CO)C1	705330297	OPGLLWOMKILJFG-RNFRBKRXSA-N	223.656	-0.148	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706302123	OVAQQLVEWSBNGM-AXFHLTTASA-N	240.351	-0.506	50	10	BBGE	
CCC(O)(CC)CN(C)CCC(=O)NN	706399196	YTTXZQUSILKYGR-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H](F)CN2)CC1	707617324	AMAKGGJKWANMMT-IUCAKERBSA-N	241.266	-0.437	50	10	BBGE	
N#CC1(O)CCN(Cc2ccnc(NN)n2)CC1	709357478	RKPDZRKWZGZQLU-UHFFFAOYSA-N	248.290	-0.387	50	10	BBGE	
CCC[C@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710196606	PNFQWIRFPPJZGT-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](OCCOC1CC1)C(=O)NN	711943569	FAXHFJYURNHIBV-QMMMGPOBSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](F)[C@H](F)C1	714558483	NVDYQTYBCICYJV-FKSUSPILSA-N	221.251	-0.007	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]2C1	718258566	IKHQQBTYNCJQMP-GUBZILKMSA-N	241.335	-0.031	50	10	BBGE	
CCNC(=O)[C@H](Cl)c1nnn(C)n1	725596822	JPTUOOHUMDTLRN-SCSAIBSYSA-N	203.633	-0.374	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)NCC#CCO	923781961	FPQLAYHYWPBGLX-UHFFFAOYSA-N	241.291	-0.251	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)NCC1CC1	930733941	BZVINPZTQKKPSZ-HTQZYQBOSA-N	227.264	-0.238	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)nn1C(C)C	1161080876	XHOWLZZPFSOUNW-UHFFFAOYSA-N	240.263	-0.474	50	10	BBGE	
Cc1cnc(Cl)cc1C(=O)NNC(=O)CO	1306820938	PMFJNISNKHVFLQ-UHFFFAOYSA-N	243.650	-0.203	50	10	BBGE	
CNC(=O)NNC(=O)C1(C#N)CCOCC1	1442130270	FZOKXJNZIWAYJE-UHFFFAOYSA-N	226.236	-0.733	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O	1464486115	QGJCRVJOBFGVCE-SSDOTTSWSA-N	244.295	-0.516	50	10	BBGE	
N#CCSCC(=O)NNC(=O)c1ncon1	1539050847	KFKZMQUTXBYBPV-UHFFFAOYSA-N	241.232	-0.913	50	10	BBGE	
Cc1ocnc1C(=O)NNc1nc[nH]n1	1558992195	QXMLUOITTHFFEO-UHFFFAOYSA-N	208.181	-0.142	50	10	BBGE	
COCCN(C)CC(B(O)O)=C(C)C	1889154570	SGIBPURQGQRJPK-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
CCC[C@@H](COC)C(=O)NNCCO	1890247699	GIUOXAWTINONFI-QMMMGPOBSA-N	204.270	-0.338	50	10	BBGE	
CN1CC[C@@H](CCNC(=O)NN)C1=O	1891720404	GRNQUENMMWQGDR-ZCFIWIBFSA-N	200.242	-0.972	50	10	BBGE	
NNC(=O)C(=O)N1CC(SC(F)F)C1	1892850641	RMUIOYVVAYEGHF-UHFFFAOYSA-N	225.220	-0.857	50	10	BBGE	
O=C1CCN(C[C@H]2C[C@H]2Cl)C(=O)CN1	1893098531	JALMEEZUGAUWGL-RNFRBKRXSA-N	216.668	-0.038	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)[C@@H](CO)C1	1893453685	PQVZOOFRTZCBTR-NGJRWZKOSA-N	219.668	-0.575	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@H]2[C@H]1CO)C(=O)NN	1897338891	DFBXSMWTBVAMCK-XHNCKOQMSA-N	227.308	-0.685	50	10	BBGE	
CC(C)C[C@@H](OCC1CN(C)C1)C(=O)NN	1899510296	PMNXAVDOSXRFFI-SNVBAGLBSA-N	229.324	-0.031	50	10	BBGE	
CS[C@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1899553849	JSRLMBQLADGRIM-ZETCQYMHSA-N	243.332	-0.137	50	10	BBGE	
CC(C)=CC[C@@H](N)C(=O)NN(C)S(C)(=O)=O	1901338738	BSYFGGMCKFMNGY-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
C#CCN(C)C(=O)c1csc(C)c1B(O)O	1902863297	GAOGEUZYBRRNLP-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H]1c1ncno1	1905172931	DZQKPGJLUVNMBJ-SSDOTTSWSA-N	225.252	-0.414	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H](O)[C@H](F)C2)C1	1908357244	GJIDUYIOUKMLSN-JLIMGVALSA-N	245.298	-0.593	50	10	BBGE	
CN1CCCC12CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1908831139	UOCKZSUQDGBPLC-VHSXEESVSA-N	238.335	-0.608	50	10	BBGE	
CC1(C)OC[C@H](N2CCC(O)(C#N)CC2)[C@H]1O	1910172136	BSJWTMIHOTVLNG-VHSXEESVSA-N	240.303	-0.125	50	10	BBGE	
C=CCOC(=O)Nc1ncccc1B(O)O	1913606856	ODXAJDNFMCAOOK-UHFFFAOYSA-N	222.009	-0.504	50	10	BBGE	
COC1CC(N(C)[C@H](C)C(=O)NN)C1	1914814745	QBIJAABOCJZYSK-JECWYVHBSA-N	201.270	-0.526	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1917455273	BLTZPBLWXZGBPV-PQFOHKHZSA-N	223.276	-0.615	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2COCC[C@@H]21	1928027360	UKUJQHIIBMWBMA-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1F	1928692283	MSSCCFNEIDAJAQ-BIIVOSGPSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC2=O)o1	1928992078	MAQLUHVBVVHENK-UHFFFAOYSA-N	209.205	-0.385	50	10	BBGE	
CO[C@H]1CN([C@H](C)C(=O)NN)CC1(C)C	1930243407	IZTDEAFBFFBWDT-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
CC[S@@](=O)NCc1scc(C)c1B(O)O	1935196448	DYSSMMYSQVZIPN-OAHLLOKOSA-N	247.150	-0.490	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CC1(C(=O)NN)CC1	1938247036	ONUVKXYFCZTDKZ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C(=O)N1C	1938248114	AWRJPQKGSYITIP-SSDOTTSWSA-N	226.280	-0.488	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1C(=O)N(C)C	1940292107	SGVMNRYVXPBCPW-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCN(C2CC2)CC1	1941079002	NOPZMVMUECVVKU-ONGXEEELSA-N	238.335	-0.608	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](O)(COC)C1	1946479989	YZPLPTITBLVUMW-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
OC[C@]1(O)CCN(CCBr)C1	1953287558	KTTOUEGJUZEESI-ZETCQYMHSA-N	224.098	-0.190	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC1CN(C(N)=O)C1	1957306049	HNSQDYSFLMKDBT-RXMQYKEDSA-N	219.672	-0.117	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2C[C@@H](O)C[C@H]2O)C1=O	1960150238	RIARLVLLJDRQQO-DQUBFYRCSA-N	233.695	-0.042	50	10	BBGE	
CC(C)[C@H](NC(=O)C(=O)NN)C(F)(F)F	1962092325	XZZIJGBWJCBBDT-BYPYZUCNSA-N	227.186	-0.321	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@@H]1CO	1978945603	UXQUZDHPZVPSGS-OPRDCNLKSA-N	229.324	-0.437	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](c2ccco2)C1	1981090785	HQQUJXISEGWGOM-SECBINFHSA-N	225.248	-0.357	50	10	BBGE	
COC[C@@H](CF)N1[C@H]2CC[C@H]1C(=O)OC2=O	1981691794	BQZKNJCWPVWPJW-CSMHCCOUSA-N	231.223	-0.113	50	10	BBGE	
O=C(NNCCO)c1cccn2ccnc12	1983533462	AWBBPAWZAMJRBZ-UHFFFAOYSA-N	220.232	-0.439	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2CCCC(=O)NN	1987187991	QMNJFQYIGQSBFO-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnc[nH]1	1991344552	IJWBJNDJDNQIRE-SSDOTTSWSA-N	221.025	-0.760	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)oc1C	1992141456	VBQOKFCLNYTBFJ-UHFFFAOYSA-N	221.021	-0.358	50	10	BBGE	
C=C(CN(CCC)CCS(C)(=O)=O)B(O)O	1992144547	AXJJOAAIJBRCMP-UHFFFAOYSA-N	249.141	-0.689	50	10	BBGE	
CCCN(C)C(=O)c1ccccc1B(O)O	1992837378	XVRZXWVPHNHRNU-UHFFFAOYSA-N	221.065	-0.152	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)C[C@@]1(C)OC	1993564158	LKTIHCMSIDIGPV-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
COCCO[C@@H]1CCCN([C@H](C)C(=O)NN)C1	1996761697	OVICAHLNTGXHEE-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(CO)CC(C)C1	2000575957	FIHPREQQPZUFRG-INWMGODYSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CC2(CCC2)C1	2000585099	IQBAMZLKKXBFQL-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
COC1(C)CN(c2nccc(C)c2B(O)O)C1	2004918392	LEOXBEGTZPKRIP-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CCC[C@@H]1CCN1c1ncnc(C)c1B(O)O	2004972892	MNJSXXMFUYJJCU-SECBINFHSA-N	235.096	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC23CCC3)n1	2005014280	JDDGIRWGAYIOGP-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@H]21	2007574268	PAJWFDRMHKVSPP-LNFKQOIKSA-N	241.335	-0.032	50	10	BBGE	
CC1(C)C[C@H](CO)CN1CCOCC(=O)NN	2012362215	KXJLLHNIIVQDNT-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@H](C(=O)NN)C(C)C	2014233158	YMNCVKPAXDNIIV-AXFHLTTASA-N	240.351	-0.221	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCN(C)C(=O)C1	2014834406	PPVMGZFCZHJPLA-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
O=C(NCC#CB(O)O)c1csc2cncn12	2021156813	CPAOLGZRDAJKND-UHFFFAOYSA-N	249.060	-0.859	50	10	BBGE	
C=C(CN1C[C@@]2(C)CN(C)C[C@]2(C)C1)B(O)O	2021162408	GKANOMIBPRRHPU-VXGBXAGGSA-N	238.140	-0.172	50	10	BBGE	
CCCN(OC)C(=O)c1ccccc1B(O)O	2022196737	QWENIPMOTPBOHN-UHFFFAOYSA-N	237.064	-0.220	50	10	BBGE	
OB(O)c1cnccc1N1CC(n2cccn2)C1	2052493929	ZMLRDUHXWWFSAS-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
N#Cc1nccn1Cc1ccc(C(=O)NN)nc1	2056638184	UYJWCBFCXRJNOY-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCc2nc[nH]c2C1	2076082858	YGJQNOWVUSNVJH-QMMMGPOBSA-N	249.079	-0.801	50	10	BBGE	
OB(O)c1cccc(COCC2[C@@H]3COC[C@@H]23)c1	2080319285	PYFPBCMKAZTVQE-STQMWFEESA-N	248.087	-0.225	50	10	BBGE	
Cc1ccnn(Cc2cc(C(=O)NN)no2)c1=O	2084711845	GMJJBXKGWKEHNH-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
CCOC1CC(C(=O)N2CC[C@H](B(O)O)C2)C1	2208732870	ZXHXADSFHYDEHR-KYHHOPLUSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(O)C(F)(F)F	2210374428	NDRILSRPDDHEGM-ZDLURKLDSA-N	239.197	-0.043	50	10	BBGE	
CC(C)(CCN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2213886215	VQBVOWMMWOJVLT-RKDXNWHRSA-N	247.314	-0.203	50	10	BBGE	
CCC(O)(CC)CNc1cc(B(O)O)ccn1	2217175680	MAOXIYANGSBYQX-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccnc(N2CC(CC3CC3)C2)c1	2217181504	QTYFXBAXBTXCQR-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
COC(C)(C)[C@H](C)Nc1cc(B(O)O)ccn1	2217201030	NSHQMPBPBZSYHX-QMMMGPOBSA-N	238.096	-0.013	50	10	BBGE	
OCCC1(CNc2cc(B(O)O)ccn2)CC1	2217205065	SMHFGOOFZBRLTR-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
CC[C@@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2220067764	MTXKUFPNMXTOOI-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@H]1N2c1ccc(B(O)O)cn1	2223673881	ZSPFJWLGDNILQB-JMJZKYOTSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C12CC(CO1)C2	2223674931	NZFHRYGZVUALCH-OBEAGUGNSA-N	249.079	-0.864	50	10	BBGE	
N[C@H]1COC[C@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241654041	QMXGOLBKPDSIIB-XUTVFYLZSA-N	218.684	-0.154	50	10	BBGE	
CO[C@H](CCl)CN=c1[nH]cc[nH]c1=O	2242438266	HPROXMIOEDCTHM-ZCFIWIBFSA-N	217.656	-0.143	50	10	BBGE	
COCC[C@H](C)NC(=O)C1(B(O)O)CCC1	2243347533	NGYNBNRREMBDQK-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
N#CC1CN(C(=O)c2csc(B(O)O)c2)C1	2243349640	OGRCGCMOJWCCDG-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C#CB(O)O)CCS1	2243349686	OZEPRDGQUHMIJJ-DTWKUNHWSA-N	241.121	-0.350	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2243363955	PECFKZWRXSYWKD-HTQZYQBOSA-N	222.053	-0.198	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)sn1	2243378187	OEZXELIDAREWGY-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
CCC[C@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243380900	ABBAQWHNWVQOED-HRDYMLBCSA-N	228.101	-0.517	50	10	BBGE	
O=C(NCCCOC1CC1)C1(B(O)O)CC1	2243397573	DZGCQMXDOPCCNQ-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
C=CCC1(NC(=O)C2(B(O)O)CC2)CNC1	2243397763	IRSSTFATXDUDQO-UHFFFAOYSA-N	224.069	-0.972	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1NC(=O)C#CB(O)O	2243398858	ICJXKIZHWROXNF-CAHLUQPWSA-N	234.970	-0.541	50	10	BBGE	
O=C(N1CCCC[C@@H]1CO)C1(B(O)O)CC1	2243410042	UKOAUHMLZLDQIJ-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
O=C(NCCC1CC1)c1cscc1B(O)O	2243410748	HAALXYTTZPMSRW-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
O=C(Nc1cncnc1)C1CC(B(O)O)C1	2243414351	YYNNYJILBGDZKN-UHFFFAOYSA-N	221.025	-0.332	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2243426590	IYPRPFRQJMKXOY-CIUDSAMLSA-N	229.085	-0.364	50	10	BBGE	
CCCC[C@H](CN)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427575	XLQQBWDMELIOTP-VGMNWLOBSA-N	228.101	-0.517	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC[C@@H]2COCCN2C)C1	2243502205	HAJPXLCKKCYFTR-VWYCJHECSA-N	247.770	-0.172	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@H]1Cl	2243696997	GFIGVHQLDIATIF-POYBYMJQSA-N	239.467	-0.068	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H]1CCOC1	2246742274	LJBOZXCLIFNPAR-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
CC(C)(O)[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247741186	WDBLNGPONZQOMY-VIFPVBQESA-N	239.080	-0.989	50	10	BBGE	
CCc1nc(C)c(CNC(=O)C#CB(O)O)o1	2247741707	DQDWKPXGUMNACZ-UHFFFAOYSA-N	236.036	-0.823	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)C1(B(O)O)CCC1	2247753972	KQKHUHFWAHWVGB-VIFPVBQESA-N	242.128	-0.127	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)ccc1C	2247760597	KKFOCIBWLYIBFL-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CCn1cncc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247790853	JYHHDRHEMIHJHT-BDAKNGLRSA-N	237.068	-0.618	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)(F)C2)oc1B(O)O	2247791735	ONNNJBOYJKVHFG-UHFFFAOYSA-N	241.027	-0.548	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247797789	MVJHKOVBDNNGHQ-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247800497	PPRQACDOHYSSLF-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
CCC[C@]1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810014	TUVKDBDUUQZSDK-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC2(CCC2)O1	2247847821	BZADSSLGLULNOA-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
COCCC1CCN(C(=O)C#CB(O)O)CC1	2247848395	LKLZAMFFANICJO-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
CC(C)(F)CCNC(=O)c1cc(B(O)O)c[nH]1	2247852647	XMBDRRGRGOIOIU-UHFFFAOYSA-N	242.059	-0.438	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247855355	REGGYBBBXXZLBG-KATARQTJSA-N	241.096	-0.267	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247859120	KMHQOWJRIIPGFC-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
CN[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247860267	UOBOOGKTRRQVBQ-QCLAVDOMSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247869347	PXNPMCSJIVFCPQ-XCBNKYQSSA-N	234.064	-0.710	50	10	BBGE	
O=C(N1CC[C@@H](O)[C@H]1C1CC1)C1(B(O)O)CC1	2247872267	PORXMMLERXDOHO-RKDXNWHRSA-N	239.080	-0.635	50	10	BBGE	
O=C(N1[C@H]2CCNC[C@H]1CC2)C1(B(O)O)CC1	2247872842	ZIRMYGGWMOGWSZ-RKDXNWHRSA-N	238.096	-0.654	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2247874238	PCEWWLHQKLNXSL-GMSGAONNSA-N	234.064	-0.710	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@H]1CCCO	2247886642	DVPJKNVUEBGVJG-GUBZILKMSA-N	241.096	-0.387	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247888023	UZUFNMGJHUYVDR-XHNCKOQMSA-N	241.096	-0.389	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1O	2247896708	JJBLFDQVFVVYAE-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
C#CCC(=O)N1Cc2ccc(B(O)O)cc2C1	2248396051	UQILGXLEUOJWGA-UHFFFAOYSA-N	229.044	-0.768	50	10	BBGE	
C[C@H]1C[C@@]1(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588091	YRWZKRMGPGQYEE-WKEGUHRASA-N	241.052	-0.637	50	10	BBGE	
C=C1CN(C(=O)c2ncc(B(O)O)cc2C)C1	2248970419	TVHSMVFTIVXRQX-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2249420846	ZFSJPQPAMSCPSZ-CPCISQLKSA-N	235.048	-0.559	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249423491	JXFQXQQYORSPCH-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
C[C@H]1CCN1C(=O)NCc1cccc(B(O)O)c1	2254031347	TUPDRLLIBFNGAL-VIFPVBQESA-N	248.091	-0.330	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccncc1B(O)O	2255454392	OYDMPINGRNOOAF-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
O=C(Nc1cncc(F)c1)c1ccc(B(O)O)o1	2255470003	XIZBDRAUIYSBHV-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ncccc1B(O)O	2255515386	WZNRGGOENJYMES-SECBINFHSA-N	246.075	-0.849	50	10	BBGE	
C=CCN(C(=O)c1cncc(B(O)O)c1)C(C)C	2255523738	SZWKXGRNODAEIJ-UHFFFAOYSA-N	248.091	-0.202	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1cc(B(O)O)n[nH]1	2255553893	DZXCSGQDGPLOFJ-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(F)cc1B(O)O	2255739458	KUBIHTJWXMHFID-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
CN(C)c1ncccc1NC(=O)[C@H]1C[C@@H]1B(O)O	2255767235	BZLXKGJQVBOMLP-YUMQZZPRSA-N	249.079	-0.051	50	10	BBGE	
O=C(CCc1ccc(F)cc1)NCC#CB(O)O	2256640697	QMECHQQZKLVSPF-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
CO[C@H](C)CNc1ccc(B(O)O)cc1C#N	2301338584	KKVGVRZYFFDUOR-MRVPVSSYSA-N	234.064	-0.315	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	2302018055	LZMXHAXLPOHHCP-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@@H](C)CC(N)=O	2302021555	BFWJFUDNAVHGCQ-IUCAKERBSA-N	244.339	-0.269	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c1B(O)O	2309538336	PNFORDZYPVXFQN-ZDCRXTMVSA-N	244.103	-0.086	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@H]1C[C@H]1N	2317211267	JTBUGLYNVTWXCQ-WHGOUJPWSA-N	246.075	-0.647	50	10	BBGE	
CCN(CCO)CC(C)(C)C(=O)NN	86597817	NBUVSKVVWSSYRU-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
CNCCN(C)CC(C)(C)C(=O)NN	86598032	CTFDSEQDHIVLQF-UHFFFAOYSA-N	202.302	-0.846	50	10	BBGE	
COc1nc(C)cc(=O)n1CCCC(=O)NN	92841351	XUMAXMGAFMEVJI-UHFFFAOYSA-N	240.263	-0.670	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](N2CCCC2)C1	104110097	YIXOINMJGQQDJM-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	114650193	ZBFPNXKDQGUZNC-RFZPGFLSSA-N	218.640	-0.513	50	10	BBGE	
CN(C)NC(=O)c1ncccc1C(=O)O	133999984	RTYFQUQLNGTQTB-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
COc1cc(OC)c(B(O)O)cc1OC	195909917	XJLYVONOFFNOAJ-UHFFFAOYSA-N	212.010	-0.608	50	10	BBGE	
C[C@@H](NC(=S)[C@@H]1CCCN1)B(O)O	210103397	PADUPDZPAMBNNR-RITPCOANSA-N	202.088	-0.944	50	10	BBGE	
COC[C@H](O)CN(C)S(=O)(=O)CCCl	232299141	UWOZWOMFFOJWKI-SSDOTTSWSA-N	245.728	-0.506	50	10	BBGE	
COC[C@H](C(=O)NN)n1nnc2ccccc21	232420997	PNMGONXUZVFOST-SECBINFHSA-N	235.247	-0.391	50	10	BBGE	
O=C(CCCCCl)N1C[C@@H](O)[C@H](O)C1	236540661	NSYLLUJVSKKQJY-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
O=C/C=C/[C@H](O)[C@@H](O)CBr	238722977	JPSNWESNMHSJOW-ZELZYMQXSA-N	209.039	-0.142	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1[C@H](COC)C(=O)NN	300017583	CNLYXVCISQOAPB-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CCn1ccc(N2CC(=O)OC(=O)C2)n1	300850011	HAUMRXCBDDRWQP-UHFFFAOYSA-N	209.205	-0.207	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](C)OC	308478087	FNJMFHQRLCPMQO-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCO)[C@H](C)CC	308821388	QRBHMKAUVYKDEC-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
O=C(O)CNC(=O)c1cnn(CCCl)c1	308850776	OEPIWWPAMWCEEQ-UHFFFAOYSA-N	231.639	-0.064	50	10	BBGE	
CNCC(=O)NNC(=O)C1CCCCC1	309629976	KACSCPMHCOSDED-UHFFFAOYSA-N	213.281	-0.067	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cccnc1N	381505761	DZJPWGUKFSPNKK-UHFFFAOYSA-N	221.264	-0.325	50	10	BBGE	
CNC(=O)CC1CN([C@H](C(=O)NN)C(C)C)C1	382306183	ZDVFTPWKJNJFMQ-JTQLQIEISA-N	242.323	-0.931	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(B(O)O)cc1F	404915439	OAPNBKKJHKZPPS-ZCFIWIBFSA-N	241.027	-0.521	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(F)c(B(O)O)c1	404963998	HJCKTNKNNXDHGD-UHFFFAOYSA-N	247.056	-0.733	50	10	BBGE	
Cc1ccc(NC(=O)CN(C)C)cc1B(O)O	404989171	SAKDORPUGHNBKL-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
CC(C)[S@](=O)NCc1ccccc1B(O)O	405054978	XSPBWIJLDHCDKT-INIZCTEOSA-N	241.121	-0.472	50	10	BBGE	
CN1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1	585018727	QKYDHKNWUNFXNT-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCN(C)C1=O	690211730	LKHOCJYLUHXBIG-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
COC(=O)N(C)CCN(C)[C@H](C)CC(=O)NN	690817277	RDRWGTFKUORPCG-MRVPVSSYSA-N	246.311	-0.615	50	10	BBGE	
NC(=O)NNC(=O)C1C[C@@H]2[C@@H](C1)C2(F)F	693308179	WFPYRGJNEDDSID-RFZPGFLSSA-N	219.191	-0.023	50	10	BBGE	
C[C@H]1CC[C@H](Cn2ccc(B(O)O)n2)O1	694226569	DQDHUSQYRJDDKZ-JGVFFNPUSA-N	210.042	-0.870	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](CO)C1	695085323	CEZMAWKSBQVNPP-VHSXEESVSA-N	229.324	-0.295	50	10	BBGE	
Cn1nnnc1CNCCCOCCCl	697723683	JTLGAWSYYWAGEA-UHFFFAOYSA-N	233.703	-0.055	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)CCCl)C(=O)NC	697907316	YZBXNTNTBIMQOD-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
C[C@H](CN1CCC[C@@H](N2CCC2)C1)C(=O)NN	702241060	WDYJOQKKTJCXQH-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703795851	GWJNGHYCGWXTLU-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1cccc(B(O)O)n1	704337735	FFEJFJQBDZPYEJ-HQJQHLMTSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H](c1cnn(C)c1)N(C)[C@H](C)C(=O)NN	710155902	IFJDLHCWKSNZDH-JGVFFNPUSA-N	225.296	-0.209	50	10	BBGE	
COC[C@@](C)(CO)NC(=O)CBr	716803705	NJSBTUWSFUYZSG-SSDOTTSWSA-N	240.097	-0.105	50	10	BBGE	
O=C(O)C(=O)CS(=O)(=O)CCCCl	725376855	GDMXCEBYDASXBX-UHFFFAOYSA-N	228.653	-0.316	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)CC(C)C	772018020	PNFSZLGVGMZGQE-UHFFFAOYSA-N	215.253	-0.684	50	10	BBGE	
CON=CC(=O)NNC(=O)CCc1ccco1	809642674	JGYOKLFJCDGXCQ-UHFFFAOYSA-N	239.231	-0.008	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCOC1)c1cc[nH]n1	818394808	DLUVYYHLGSYEID-ZETCQYMHSA-N	238.247	-0.403	50	10	BBGE	
Cn1c(C=NNC(=O)CO)cnc1Cl	848406875	JZQJOAYQPRRZJE-UHFFFAOYSA-N	216.628	-0.484	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1cn[nH]c1	862466053	COSHYAPJBTWMBC-JIGDXULJSA-N	236.231	-0.937	50	10	BBGE	
NC(=O)C1(NC(=O)CBr)CC1	1144196609	CJKKBFIFXIEBRS-UHFFFAOYSA-N	221.054	-0.485	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)C(C)(C)O	1296520980	QKALXDODLKGKKF-UHFFFAOYSA-N	227.220	-0.485	50	10	BBGE	
COC(=O)N(C)NC(=O)NCc1cnnn1C	1564859595	UEGFKORQXJYQEP-UHFFFAOYSA-N	242.239	-0.773	50	10	BBGE	
O=C(NNc1ccncn1)c1c[nH]nc1[N+](=O)[O-]	1627967698	WZPCZLOOEOCALU-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1cnncc1O	1628293486	AWRHWDJWKUXKIF-UHFFFAOYSA-N	222.204	-0.647	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cnc[nH]2)n[nH]1	1639990553	JNCLUOJFWHTTAT-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
Cn1nnc(C(=O)NNC(=O)CC(C)(C)C)n1	1650775491	QJYHHPRMSFTINN-UHFFFAOYSA-N	240.267	-0.593	50	10	BBGE	
O=C(NN1CCNCC1)[C@H]1C[C@H]1Br	1877360302	VMPWQAAFXUAOHM-NKWVEPMBSA-N	248.124	-0.294	50	10	BBGE	
CN1C(=O)O[C@@H]2CN(C(=O)CCl)C[C@@H]21	1884552012	XOYJVLIEDHICHK-NTSWFWBYSA-N	218.640	-0.113	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@@H]1CNC(=O)C(=O)NN	1894646382	OKCPTGSWSHTERI-FBCQKBJTSA-N	239.197	-0.319	50	10	BBGE	
C=C(CN(C)[C@H](CC)COC)B(O)O	1895237446	AOGPPUAFZQNECK-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2cc(F)cnc2C1	1900315456	NYCXBWPNNUAXMP-ZCFIWIBFSA-N	224.239	-0.085	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cnsc2B(O)O)C1	1900451034	LEZFBRFYUHCWHO-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
CCc1cnccc1CNC(=O)C(=O)NN	1901681307	CGJPWTQNSLJNHY-UHFFFAOYSA-N	222.248	-0.750	50	10	BBGE	
COC[C@H](C)COCc1nc(B(O)O)cs1	1902654632	VTHABKFSVBRJOJ-ZETCQYMHSA-N	245.109	-0.378	50	10	BBGE	
N#C[C@H](Cl)CN1C(=O)C(=O)N[C@H]2CCC[C@H]21	1902670869	ZBFYAMZFJCQYMI-BIIVOSGPSA-N	241.678	-0.003	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@]3(C)C2)ncc1B(O)O	1907077337	RYMBZOZZNQJKHJ-GZMMTYOYSA-N	233.080	-0.689	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC[C@@H](F)C2)O1	1909809406	WQDJIWBLZMZACC-BBBLOLIVSA-N	245.298	-0.042	50	10	BBGE	
COc1nc(OC[C@@H]2C[C@H]2C)ncc1B(O)O	1910813265	CWLCDAORVVWTLO-RQJHMYQMSA-N	238.052	-0.800	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914254138	IJZIUYDBTSQZST-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C)[C@H](C#N)C1	1914870418	PTXMPASXGMWRBF-ZJUUUORDSA-N	239.323	-0.860	50	10	BBGE	
COCC1CN([C@H](C)[C@H](C)C(=O)NN)C1	1916281255	KJQGNEUQIHFQOO-JGVFFNPUSA-N	215.297	-0.421	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154510	GQTDPNKJIUUITQ-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCCNC1	1923401770	FVAPPCLQPSRCTL-RXMQYKEDSA-N	239.197	-0.304	50	10	BBGE	
COC(OC)C(=O)NNC(=O)C(F)(F)F	1923402968	KSIVSXSQGCRQFT-UHFFFAOYSA-N	230.142	-0.685	50	10	BBGE	
CCc1c(C(=O)NNC(N)=S)nnn1CC	1923552337	XXUHJEQJLIWGTP-UHFFFAOYSA-N	242.308	-0.662	50	10	BBGE	
CCc1c(C(=O)NNCCO)nnn1CC	1923642670	USBBRDBHGOEUFE-UHFFFAOYSA-N	227.268	-0.913	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H]1CO2	1927812014	DRVYSIBAGAIQMV-WDSKDSINSA-N	221.207	-0.915	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1927866493	KIGHEBRYOGOISK-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
C[C@H]1COC[C@@H]1OC[C@@H]1C[C@H]1C(=O)NN	1927915518	IEWHFPQDWDXCLJ-MAUMQABQSA-N	214.265	-0.336	50	10	BBGE	
CS(=O)(=O)CCN[C@@H]1COC[C@H]1CCl	1928744996	WTUCPZYDYPMSKU-HTQZYQBOSA-N	241.740	-0.126	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NS(=O)(=O)N(C)C)C1	1928752015	YLDUYURELSZSGG-NKWVEPMBSA-N	241.744	-0.696	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOCC[C@H]1C	1929659140	JGFRRPSXHUYCBU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN1C(C)(C)C(=NNC(N)=O)CS1(=O)=O	1931279341	AFDNVGHCIXVUNE-UHFFFAOYSA-N	234.281	-0.936	50	10	BBGE	
CN(CC(=O)NN)Cc1ccc(O)cc1	1932470908	POWFIWBXMBYRSF-UHFFFAOYSA-N	209.249	-0.186	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1COC[C@H]1O	1933390812	ZHNGIQOBTZOYSJ-FSDSQADBSA-N	207.657	-0.263	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC[C@@H]1CCCO1	1935342831	CLEKCWJNAWHAAU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](c1ncccn1)N1CC(=O)OC(=O)C1	1936445037	YCDSCJPDAMMTNG-SSDOTTSWSA-N	221.216	-0.077	50	10	BBGE	
CN1C[C@H](N=c2[nH]ccn(C)c2=O)[C@H](Cl)C1	1937190651	PHEOCSJPRQVVCG-SFYZADRCSA-N	242.710	-0.465	50	10	BBGE	
CCN(CCO)Cc1cncc(C(=O)NN)c1	1940583366	UWMPUNKEPHIRAC-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
COCC(COC)N(C)C[C@@H]1C[C@H]1C(=O)NN	1941082997	LJHFSZBKXWOHFU-WCBMZHEXSA-N	245.323	-0.794	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCO[C@H]1CCOC1	1941086653	SUZMKGHGAYJYKP-KXUCPTDWSA-N	244.291	-0.566	50	10	BBGE	
CC(C)n1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941090231	YWFAOACILSMMBI-DTWKUNHWSA-N	238.291	-0.143	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@]2(CCCO2)C1	1941394949	TZGVBWIYSPVISK-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
CCCO[C@@H]1CCN(CCOCC(=O)NN)C1	1941773070	RTKACPFACZDJNM-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)COCCN(CCCO)C1CCC1	1941774826	NBHAPMDQJCEDSE-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
Cn1ncc(CNC(=O)NN)c1Br	1954112765	VCASGCYZYZFSOL-UHFFFAOYSA-N	248.084	-0.145	50	10	BBGE	
Cn1nnnc1CN[C@H]1C[C@H]1CCl	1954307577	FSRZVTHVYXTGKA-WDSKDSINSA-N	201.661	-0.073	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NNC(N)=O	1956345515	NGZXMSZWAZHKTQ-ZCFIWIBFSA-N	203.242	-0.253	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CN(C)C[C@H]1O	1957319033	RJEYWWPJXCOFMO-XLPZGREQSA-N	220.700	-0.205	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@H]1CO	1957828602	PUPMLFOUOXLVRD-LXGUWJNJSA-N	211.217	-0.716	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1958102080	GQUNOTIKSQTWMM-LMVFSUKVSA-N	219.191	-0.864	50	10	BBGE	
Cn1nnnc1N1C[C@H](Cl)[C@H]2COC[C@@H]21	1958135998	ZOFCTKMNELZJKL-VQVTYTSYSA-N	229.671	-0.348	50	10	BBGE	
CN(CCN1CCCCC1)CC(=O)NN	1961250031	HREZLPOOIUVXGK-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
COC[C@@]1(C)CCN1[C@H](C)CC(=O)NN	1974734561	NAOXRCURROECRH-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](C[C@H](C)C(F)F)NC(=O)C(=O)NN	1974983177	JNVZOHHSFHTNNR-WHFBIAKZSA-N	223.223	-0.228	50	10	BBGE	
NNC(=O)c1coc(CSC2CNC2)n1	1975116878	XXYUUWUAGBFUSY-UHFFFAOYSA-N	228.277	-0.517	50	10	BBGE	
NNC(=O)c1nc(CSC2CNC2)cs1	1975144215	YVDNXBPQHWWCKV-UHFFFAOYSA-N	244.345	-0.048	50	10	BBGE	
N#CC1(O)CCN(CCCOCCN)CC1	1976720260	XRBCGQKDBXFGGL-UHFFFAOYSA-N	227.308	-0.298	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CC[C@H]1[C@H]2C(=O)O	1978309193	XMPGWVIEVVIPLI-CSMHCCOUSA-N	227.264	-0.032	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1CCC(=O)NN	1980854224	HRGHDVVMFPYMRG-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1csc(OCCOC2CCC2)n1	1981423445	DOIOIHJKNUWDEG-UHFFFAOYSA-N	243.093	-0.229	50	10	BBGE	
C[C@@H]1OCCN(c2nc(B(O)O)cs2)[C@@H]1C	1981468811	IPPRHXPOVMUDCF-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
C[C@@H]1CCOCCN1c1nc(B(O)O)cs1	1981469601	VNUJBKVUJDRQBY-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@]1(C)COC	1982944326	LGNKHUMSPSMBME-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
O=S(=O)(CCF)Nc1ccc(B(O)O)cc1	1983764124	SVXKBAGPZHQTHO-UHFFFAOYSA-N	247.056	-0.922	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1984192955	JRGNJFZJXGIGOK-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1c1nc(CCCl)nc(=N)[nH]1	1985742769	MWVCLNXEJSXBBN-RITPCOANSA-N	243.698	-0.365	50	10	BBGE	
C[C@H](CN(CC1CC1)C1COC1)C(=O)NN	1990128404	ZECIFBYWPQFKBI-MRVPVSSYSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](Cn2ccnc2)O1	1990163868	DIEFPTZVXYGPBY-DTWKUNHWSA-N	224.264	-0.189	50	10	BBGE	
C=C[C@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1990540443	RYJQMYVRWCOYQJ-ONGXEEELSA-N	227.308	-0.376	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)[C@@H]2COC[C@H]12	1991651670	VEMTZXZVUNLYBO-BWZBUEFSSA-N	244.678	-0.508	50	10	BBGE	
O=C(CC(F)F)Nc1cccc(B(O)O)c1	1992776242	QJVAHOWEIXAISZ-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
CC1(NC(=O)c2ccccc2B(O)O)CC1	1992836513	NCQWODSJHDPOQV-UHFFFAOYSA-N	219.049	-0.351	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C[C@@]1(C)OC	1993564159	LKTIHCMSIDIGPV-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1998125648	KKYVNMOXFZVCEH-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1C1CCC1	2004920622	LTCZKNSOOHPCHT-JTQLQIEISA-N	233.080	-0.465	50	10	BBGE	
CCOCCCOc1nc(C)ccc1B(O)O	2004930862	XOGCGVORRYFXPO-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CC(C)(C)OCCOc1ncncc1B(O)O	2004931179	ZZNXDSNXDBDWLH-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
COCCN(C)C1CN([C@H](C)CC(=O)NN)C1	2017466967	RFVGIULMDZFCRT-SECBINFHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)[C@H](COC)C(=O)NN	2026290119	NUFPXRIBEORHLQ-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
Cc1ncc(OCc2ncccn2)cc1B(O)O	2031604852	QVRSQELKPDAJMG-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C3CCC2(C)CC3)n1	2052619651	IDNMSQISBAPQQB-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@]12CNC[C@H]1C2	2210021404	OMJBNISMPNKXCP-HZGVNTEJSA-N	214.652	-0.214	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1CO	2216528085	LCWZAUXRAQQMOU-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)[C@H]1CCOC1	2217180229	RIGQGGIZNOZDFT-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Nc1cc(B(O)O)ccn1	2217183468	LMZWDGXYHUXYSH-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](N)C1(COc2ccc(B(O)O)cn2)CC1	2217188964	WJIZVKDXYPHNDF-QMMMGPOBSA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1CCC=C[C@@H]1Nc1ncc(B(O)O)cn1	2217197526	NIQSTRARKHTIAB-WPRPVWTQSA-N	233.080	-0.077	50	10	BBGE	
CC1(C)C[C@H](O)CN1c1cc(B(O)O)ccn1	2217199091	JZQYOCOUDWMOAW-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
NCCC1CC(Nc2ncccc2B(O)O)C1	2217199674	OBUDQZAGGIFGAM-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1ccnc(NCc2cccnn2)c1	2217202624	YDBNIBMPQMZWLL-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CCC1CC(CCN=c2ncc(B(O)O)c[nH]2)C1	2223633315	VECHEMCLEAUYCJ-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2ccc(B(O)O)cn2)N1C	2223637434	FQQJDWJJGJCLMN-KOLCDFICSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CO[C@H](C3CC3)C2)nc1	2223637674	REVJANKCAALHTC-ZJUUUORDSA-N	249.079	-0.864	50	10	BBGE	
CC[C@H]1CNCC[C@H]1Nc1ccc(B(O)O)cn1	2223640864	ZITRXKUEEWTILB-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
CC[C@]1(Nc2ncccc2B(O)O)CCCNC1	2223644044	DCRJPHHYKTYXNF-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
Cc1cnc(N2CC(CN(C)C)C2)cc1B(O)O	2223645948	DCQKLZFPABATSJ-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
Cc1cnc(N(C2CC2)C2COC2)cc1B(O)O	2223649859	DZTVQBRCEZIPOI-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CSCCCNC(=O)C1(B(O)O)CC1	2241480754	KYFISKJVBZVYLW-UHFFFAOYSA-N	217.099	-0.137	50	10	BBGE	
C[C@H]1CCN[C@@H]1CSCC(=O)NN	2242140092	YXOZBYRZLNSPRD-NKWVEPMBSA-N	203.311	-0.293	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCCO1	2243347061	GXWGQGROZHUANC-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
CCN(Cc1ccoc1)C(=O)C#CB(O)O	2243357128	RPJXDBYHNZNVAT-UHFFFAOYSA-N	221.021	-0.357	50	10	BBGE	
CC[C@H]1C[C@@H]1CCN(C)C(=O)C#CB(O)O	2243361465	BTRKQEBSIWCODQ-UWVGGRQHSA-N	223.081	-0.104	50	10	BBGE	
C=C1CC(CO)(NC(=O)C2(B(O)O)CC2)C1	2243363071	APQYKLSAVITKFZ-UHFFFAOYSA-N	225.053	-0.809	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCOC1	2243363458	GXWPRXOVTCPLFR-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2243363956	PECFKZWRXSYWKD-JGVFFNPUSA-N	222.053	-0.198	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2243373270	OMSDCXXVHIJUCE-ZCFIWIBFSA-N	225.057	-0.992	50	10	BBGE	
CCN(CCCO)C(=O)C1CC(B(O)O)C1	2243396119	HPNRZPKOGBMABJ-UHFFFAOYSA-N	229.085	-0.530	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CCO)CC1	2243408711	SZBPTDLWZYMRQE-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
O=C(NOCC1CC1)c1ccsc1B(O)O	2243409902	QUXSXDBGEDZHJX-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CO)CCC1	2243426678	KFNKGSVKRRLMQX-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CC(C)=CCNC(=O)c1cocc1B(O)O	2244204736	AEFZCODLJMPXHS-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)[C@@H]1C[C@H]1C	2247739971	DODGDYUHDXAXBF-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1ccc(B(O)O)o1	2247742100	KRCUNPIYACYYOU-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
O=C(N1CC[C@H]2CC[C@@H](C1)N2)C1(B(O)O)CC1	2247759071	YLPRKKSWNBCGBP-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1cc(B(O)O)n[nH]1	2247784101	PLBLRYYKKLQBIW-UHFFFAOYSA-N	237.068	-0.969	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247798649	WBTSXMPBRZTIBU-XSPKLOCKSA-N	244.075	-0.944	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247806913	GTWMVHGQLGCDIX-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247807377	QWENECOQUIHTFH-ZJUUUORDSA-N	234.064	-0.097	50	10	BBGE	
O=C(NC[C@H](CO)C1CC1)C1CC(B(O)O)C1	2247808693	LVVYFLHDMXIZRW-HWOCKDDLSA-N	241.096	-0.626	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(F)(F)C[C@H]1CO	2247810390	XAKMPXIBUBHQLM-RRKCRQDMSA-N	249.022	-0.922	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)C1(C)C	2247850129	KFSALUODUGPOEP-BDAKNGLRSA-N	239.080	-0.726	50	10	BBGE	
Nc1cccc2c1N(C(=O)C#CB(O)O)CC2	2247851568	GRKJMITZDWBQEC-UHFFFAOYSA-N	230.032	-0.827	50	10	BBGE	
C=CCN(C)C(=O)c1cc(C)cc(B(O)O)c1	2247874435	MKKYLTMBIOUXTG-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
CC1([C@H](CO)NC(=O)C2(B(O)O)CCC2)CC1	2247878926	QHRGLLPSUCULDS-QMMMGPOBSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1occc1B(O)O	2247879754	XKJSOVMJGLRKKR-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
Cn1nccc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247897607	VHHKEFGRJBNRKR-OCAPTIKFSA-N	237.068	-0.711	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)ccc1O)C1CC1	2248031553	CKMRCHXOFWFZNU-UHFFFAOYSA-N	235.048	-0.694	50	10	BBGE	
Cc1c(CO)cccc1NC(=O)C#CB(O)O	2248221072	OUMKQKFSMQIPJR-UHFFFAOYSA-N	233.032	-0.559	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)OC[C@H]1C	2248484691	CWJXCGXKPIUWGR-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248578110	QFHJGHFVJJWJQO-GBNDHIKLSA-N	247.031	-0.833	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C(=O)O	2248579161	YBVNZVBVVBCUEL-BQBZGAKWSA-N	241.052	-0.828	50	10	BBGE	
C[C@@](NC(=O)C1(B(O)O)CC1)(C(=O)O)C1CC1	2248585683	PEGBUFXEJNBZHC-VIFPVBQESA-N	241.052	-0.637	50	10	BBGE	
COC[C@]1(C)C[C@H]1CNC(=O)C1(B(O)O)CC1	2248715216	JPBWWXPPDHONSB-WPRPVWTQSA-N	241.096	-0.218	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2C[C@@H]2C1	2249441486	YVXJAUUARBRNHY-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H](C)C(F)F)n1	2249472197	CHCMTESDSIAVBG-RXMQYKEDSA-N	247.006	-0.198	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCn2cncc2C1	2249738352	ISKOAQYXHPGDRS-UHFFFAOYSA-N	245.233	-0.676	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCN1	2249889878	WONMCHPHTTZERW-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC2(CC2)CO1	2250003978	DYZXZBBLFHXNMO-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ccncc1B(O)O	2255452124	DMGVZNRINBAWFE-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
C#CCCN(CCC)C(=O)c1ccc(B(O)O)o1	2255461001	AVOBHKWYMCXPIB-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
C=C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2255472129	COLRRQACVYWIBW-SNVBAGLBSA-N	248.091	-0.125	50	10	BBGE	
CCC1CC(NC(=O)c2ncncc2B(O)O)C1	2255496880	UBLQUFBMFHHAKP-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(B(O)O)cn1	2255519839	CBHDLQIWAVZLTN-SZEHBUNVSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@H]2CC[C@H]1C2	2255578838	KZJTYJYEQLLSSI-SFYZADRCSA-N	249.079	-0.896	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(F)ccc1B(O)O	2255718799	AOOVMNVWCJBYDN-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)cn1CCC	2255732902	CHFGPUAGIRWIRV-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1ccncc1	2255738151	OKETVMLQQLUEAH-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1occc1B(O)O	2255741182	KIIKASLDZLOVNB-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1C[C@H](n2ccnc2)C1)[C@H]1C[C@@H]1B(O)O	2255769763	MMMNGZPCZRODIK-XKNYDFJKSA-N	249.079	-0.434	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@H]3C2(C)C)c1B(O)O	2257070726	JSUBFXVKJOVAKN-DTWKUNHWSA-N	247.107	-0.300	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]3NCC[C@@H]32)CC1	2258498882	DVPOIHCULSUTID-MXWKQRLJSA-N	249.314	-0.139	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298164790	IOTFXLTWAFQKFE-VLEAKVRGSA-N	241.335	-0.295	50	10	BBGE	
COC1(OC)CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371641	QSBPVDZUXAYCNT-BWZBUEFSSA-N	243.068	-0.883	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1CO)[C@@H]1C[C@H]1B(O)O	2298374746	KNONLKBGVBFAKH-JLIMGVALSA-N	241.096	-0.483	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1C[C@H]2CO)C1(B(O)O)CC1	2298375202	ZVCCBGFUJJULNW-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2298463552	KNTUKLDNZIEGEW-LGVNZDMBSA-N	241.052	-0.924	50	10	BBGE	
COC[C@@H](OC[C@@]1(C)CCCN1C)C(=O)NN	2300070295	UNGNLUVMIPYHGH-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
C#CCCCOCC12CC(C(=O)NN)(CO1)C2	2300778317	FAIXUHROVOEINX-UHFFFAOYSA-N	238.287	-0.045	50	10	BBGE	
C[C@H](CC(=O)NN)On1nnc2ccccc21	2300926496	MHQLHBKSASGGCJ-SSDOTTSWSA-N	235.247	-0.372	50	10	BBGE	
O=Cc1ccc(N2CC[C@@H](F)C2)cc1B(O)O	2301451671	VZZSXWHJBIZWMC-SECBINFHSA-N	237.039	-0.273	50	10	BBGE	
CC(C)=C(CN1CCOCCOCC1)B(O)O	2301855536	ZYVHCFGRGHFQLZ-UHFFFAOYSA-N	243.112	-0.316	50	10	BBGE	
CC(C)N1CC(CNC(=O)C2(B(O)O)CC2)C1	2302833276	LAUCBBAFNGLQGD-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
Cc1nc(CN2CC[C@@](C)(B(O)O)C2)nn1C	2303146896	JXGKTNUWESOVJE-SNVBAGLBSA-N	238.100	-0.438	50	10	BBGE	
CCOC[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303834411	FROLPQOSCUMKAH-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
CC1(N)CC(Oc2cc(B(O)O)c(F)cn2)C1	2303853289	SYKRKJOWHGAOEW-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
O=C(NC[C@H]1O[C@H]2CC[C@H]1C2)C1(B(O)O)CC1	2307488699	QLSVLCWJLXWUFR-XHNCKOQMSA-N	239.080	-0.323	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](Nc1ccc(B(O)O)cn1)C2	2312614207	AJUKPDDFGLWFNL-WCQGTBRESA-N	248.091	-0.259	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1ccc(B(O)O)cn1	2312614489	QWLNMCVZYHOMKB-UUTMEEIUSA-N	248.091	-0.734	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCOC1CC1	2317206399	NSBDGYCGBBLFBS-UHFFFAOYSA-N	247.059	-0.204	50	10	BBGE	
CCCNC(=O)C(C#N)=CN(CCO)CCO	2324220850	WCCZPUNVDJJKFB-UHFFFAOYSA-N	241.291	-0.793	50	10	BBGE	
O=C(CCl)NC[C@H]1CN2C(=O)C[C@H]2O1	13907077	JPIMUEXMCDPXQN-YLWLKBPMSA-N	218.640	-0.701	50	10	BBGE	
NNC(=O)CNC(=O)Cc1ccc(Cl)cc1	38535173	GDOGYKXLVROOGT-UHFFFAOYSA-N	241.678	-0.011	50	10	BBGE	
CN(C)CCN1CCN(C(=O)CCl)CC1	61643958	UENYKARTJJIOPB-UHFFFAOYSA-N	233.743	-0.069	50	10	BBGE	
CNCCN(C)Cc1ccc(C(=O)NN)o1	69801859	GAJAENVZRUALND-UHFFFAOYSA-N	226.280	-0.466	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCCO1	82469921	PDLQZZBYILUSEK-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1CCC(=O)NN	82470488	IFXZAJJGFUJXCI-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCn1cc([N+](=O)[O-])ccc1=O	82471280	LGDJNYPEUSEMTJ-UHFFFAOYSA-N	226.192	-0.864	50	10	BBGE	
CCOC(=O)/C=C/c1cnn(C)c1C(=O)NN	84820576	FMPAMUMFQLKLKV-SNAWJCMRSA-N	238.247	-0.400	50	10	BBGE	
NNC(=O)c1occc1Cn1cc(C(N)=O)cn1	110601645	SNRIITCAWNZASS-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	123112805	SJWPVFWYNJPBON-GZMMTYOYSA-N	241.291	-0.870	50	10	BBGE	
O=C1NS(=O)(=O)[C@@H](Cl)[C@@H]1Cl	138429745	XEBQKSJHNWDZHD-NHYDCYSISA-N	204.034	-0.382	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C[C@H](Cl)C#N	139560825	FMIPDXUXNQMEPC-SFYZADRCSA-N	231.683	-0.436	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@](C)(O)C1	161009797	KQXJZDLINIHDNQ-JTQLQIEISA-N	229.280	-1.000	50	10	BBGE	
NC(=O)C[C@H](NC(=O)C(Cl)Cl)C(=O)O	169912304	BKAMBSSURZPANH-REOHCLBHSA-N	243.046	-0.765	50	10	BBGE	
COC(=O)c1ccc(B(O)O)cc1OC(C)C	197244938	IBSXASLWDMNWGA-UHFFFAOYSA-N	238.048	-0.060	50	10	BBGE	
CCCNC(=O)c1ccccc1B(O)O	206432346	OTLBTFZMFIXGFC-UHFFFAOYSA-N	207.038	-0.494	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C2CC2)CC1	211938260	DYDUEIFOEIPTIJ-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@@H](C)Cl	227260521	HKHWDJXIJSNBEJ-RFZPGFLSSA-N	209.629	-0.736	50	10	BBGE	
C[C@H]1CN(C)CCN1Cc1ccccc1B(O)O	235603606	DHJGMYGWKUMANI-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C[C@H](N)C(=O)O	238182694	AEUDJAZDKRBUMG-YFKPBYRVSA-N	247.251	-0.656	50	10	BBGE	
CN1C(N)=C(C#N)C2=C(C#N)C(=O)N[C@]21C	238325614	YXQKLGURLMGWND-JTQLQIEISA-N	215.216	-0.708	50	10	BBGE	
OB(O)c1ccc(-n2cccn2)nc1Cl	238647167	SEEMAPRQJXNGNF-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
OB(O)c1cnn(Cc2nccs2)c1	238657948	ILDDNMAEKMRFIC-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@H](CCCN2C)C1	251528670	DILCNQVFANRJKE-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@H](C)CC(=O)NN)C1	252785821	VCCOFUDPZHNLIN-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
O[C@H]1C[C@@H](Br)C[C@@H](O)[C@H]1O	306406332	GHHOPJCDDUGPCW-FBXFSONDSA-N	211.055	-0.374	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1S	306879512	GKZRCINQPWBLIE-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1C2COCC1COC2	307129181	XQXVFHSQWFFYKZ-RRQHEKLDSA-N	235.667	-0.222	50	10	BBGE	
CN(C)S(=O)(=O)N(C)C[C@H](Cl)C(=O)O	308576768	HULKKKLHLVSGMF-YFKPBYRVSA-N	244.700	-0.583	50	10	BBGE	
CC(C)(N)C(=O)NNC(=O)c1ccco1	308854939	SOXXHMGFNWIVLN-UHFFFAOYSA-N	211.221	-0.222	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@]1(C)CN	309446399	POGNFZZVQMAUPE-FXPVBKGRSA-N	228.340	-0.471	50	10	BBGE	
NC(=O)c1ccn(C[C@H](O)CCl)n1	379352028	ZMRDXGZXJKZKRX-RXMQYKEDSA-N	203.629	-0.418	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1Cc1ccccc1B(O)O	380296090	HFYHXYZMBAEPHY-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(c2nnc(CCl)o2)C1	380501535	ADOVMPQJWZTTED-MRVPVSSYSA-N	246.654	-0.765	50	10	BBGE	
CC(C)N(CCO)Cc1nc(C(=O)NN)co1	387014138	RDSDSUXJDIRAKY-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@@H](CC)C1	399926789	RDYQONMPJAFYNM-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN([C@H](C)CCC(=O)NN)C1	401696680	KHNOIRCBSFIMPP-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CC1)CC2(F)F	404888216	GXNQLESGKCFTBR-UHFFFAOYSA-N	233.218	-0.376	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)NC1CC1	405069114	AGECVQBQZIEAJB-UHFFFAOYSA-N	221.025	-0.955	50	10	BBGE	
CC(C)(C)NC(=O)Nc1cc(B(O)O)ccn1	405157088	XUDRIHDABCJSOD-UHFFFAOYSA-N	237.068	-0.319	50	10	BBGE	
CCNC(=O)Nc1cc(C)cc(B(O)O)c1	405158471	ZHNFNOXTFWDVCD-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258306	KWBRNZBDKRMKRI-DCAQKATOSA-N	240.351	-0.221	50	10	BBGE	
CCNC(=O)CN1CCC(O)(C#N)CC1	692122209	PSOLSBIOFNAQCC-UHFFFAOYSA-N	211.265	-0.527	50	10	BBGE	
N#Cc1ccc(Cn2cc(B(O)O)cn2)c(F)c1	694502947	YNWGYKAWMAQOAV-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
Cc1cc(Cn2ccnn2)oc1C(=O)NN	699019992	PKBMLSSXJMLOFU-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)cc(Cl)n1	701948607	BIMZUGCCCZDRQM-UHFFFAOYSA-N	228.444	-0.215	50	10	BBGE	
OB(O)c1ccn(CCOC2CCC2)n1	703652616	YKJDWXNAAMULRH-UHFFFAOYSA-N	210.042	-0.868	50	10	BBGE	
CC1(C)CCN1CCn1cc(C(=O)NN)nn1	706776207	CFUINQHZMBAHFC-UHFFFAOYSA-N	238.295	-0.634	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@H](C)C(=O)NN	709609959	SJTWSXDIZDGZEL-VIFPVBQESA-N	228.340	-0.504	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@@H](N)C2)c1	711161343	SYVMGBZPGIGAGE-MRVPVSSYSA-N	240.332	-0.115	50	10	BBGE	
CCn1nnnc1CN[C@H](CCl)CN(C)C	716670943	MAVBKXRZTUCIRU-MRVPVSSYSA-N	246.746	-0.048	50	10	BBGE	
C[C@@H]1CCN(Cc2nsc(C(=O)NN)n2)C1	724348920	DQCRXEMTAFWMCY-ZCFIWIBFSA-N	241.320	-0.017	50	10	BBGE	
CCCC(=O)NCC(=O)NN(C)C(=O)NCC	780711961	TWHUXGVWYLAEJK-UHFFFAOYSA-N	244.295	-0.405	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cncnc1	814343772	SBPZINFERVNWBH-MRVPVSSYSA-N	236.231	-0.583	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	817214100	VSXOLSMPOBLYJH-RKDXNWHRSA-N	241.291	-0.736	50	10	BBGE	
CCCN(C)CC(=O)NNC(=O)[C@H]1CCCO1	817215396	WSBIWSBDVJDCLX-SECBINFHSA-N	243.307	-0.345	50	10	BBGE	
CN(NC(=O)/C=C\[C@H]1CCCO1)C(N)=O	819449379	LWOGMWUNDYABCI-IQXGSHKSSA-N	213.237	-0.237	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1	843657262	FRWXPVYJFYGYSJ-YUMQZZPRSA-N	242.275	-0.262	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1(F)CC1	844132908	OBQLPVSTASJLPS-UHFFFAOYSA-N	203.217	-0.803	50	10	BBGE	
CC(C)(CO)C(=O)NNC(=O)[C@H]1CCCO1	848128057	XDRGVBGPRVBYTA-SSDOTTSWSA-N	230.264	-0.669	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)[C@@H]1COCCO1	866255004	GFVVSLQIJDCIDN-PFPYCLJUSA-N	246.238	-0.187	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CN(C)C[C@H](C)O1	910139941	VBUGXKPKVNOTQN-LPEHRKFASA-N	245.323	-0.951	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1C[C@@H](C)CO1	910181664	DFNRKYFUDYDHFV-HRDYMLBCSA-N	216.281	-0.245	50	10	BBGE	
Cn1cnc(C(=O)NNc2ccc(C#N)cn2)n1	1154501542	OOQIYSQGXZJWAE-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
O=C(NNC(=O)c1ccns1)c1cn[nH]c1	1168104521	LRNJPFSIOPXRDP-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
CN(NC(=O)c1cn2cccnc2n1)C(N)=O	1323660073	OOTDJHPVUFYYPS-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)N(C)C	1464553304	YKUZIMKJPWYFMV-UHFFFAOYSA-N	214.269	-0.593	50	10	BBGE	
O=C(CN1C(=O)CCC1=O)NNc1ccncn1	1468215147	VVZYTYDGWOJEGH-UHFFFAOYSA-N	249.230	-0.931	50	10	BBGE	
CN(NC(=O)[C@@]1(C#N)CCCOC1)C(N)=O	1623316202	MCGGJRBGGGWENO-SECBINFHSA-N	226.236	-0.652	50	10	BBGE	
OC[C@H]1C=CCN1C[C@H](O)CBr	1880567160	HYUUYRGKOQZDAB-HTQZYQBOSA-N	236.109	-0.025	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC2CC(Cl)C2)C1	1884419705	MSASLTYZJXMCOL-GHNGIAPOSA-N	239.724	-0.496	50	10	BBGE	
OC[C@H](O)C1CN(C[C@H]2C[C@@H]2Cl)C1	1887171258	MRUCENJUSYTFDX-YEPSODPASA-N	205.685	-0.101	50	10	BBGE	
COCC1(NS(=O)(=O)CCCl)COC1	1887895109	MHJSJYLICHFAKA-UHFFFAOYSA-N	243.712	-0.440	50	10	BBGE	
C[C@H](CO[C@H]1CCCOC1)C(=O)NN	1888721650	QTQLVVARLGUEHF-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1COC[C@H]1F	1888891583	GIOVFYYAEAPJFI-RFZPGFLSSA-N	224.619	-0.212	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H](O)[C@H](O)C1	1893469587	KQHNTQRHRORIKK-VGRMVHKJSA-N	219.668	-0.432	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@H](C(=O)O)[C@@H]2C[C@@H]12	1894803278	CHDIDZLKJPLLBE-OOJXKGFFSA-N	227.264	-0.129	50	10	BBGE	
CNCCSC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896930072	ROGXFYKSTQJRTO-IUCAKERBSA-N	247.364	-0.133	50	10	BBGE	
C=C(CS(=O)(=O)NC1[C@@H](C)C[C@@H]1C)B(O)O	1901114414	PNSGTZCJOAGBHQ-BQBZGAKWSA-N	247.125	-0.482	50	10	BBGE	
CN(NC(=O)/C=C\C(=O)O)S(=O)(=O)C1CC1	1901342570	NHOIIJBWAIYCKE-PLNGDYQASA-N	248.260	-0.918	50	10	BBGE	
C[C@@H](O)C1CN([C@H](C)CCCC(=O)NN)C1	1901767860	YVRGBBBTYOWJLL-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@](C)(CN(C)C[C@H](C)CO)C(=O)NN	1902714730	XVSLYGZBNMQMQB-ONGXEEELSA-N	231.340	-0.047	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)CC1(C(=O)NN)CC1	1907547631	PGDYMNWOLFVPFE-AEJSXWLSSA-N	239.319	-0.277	50	10	BBGE	
CN(CC1CC2(CC2)C1)C(=O)C(=O)NN	1913794504	PUGOSCIHOYMRGJ-UHFFFAOYSA-N	211.265	-0.375	50	10	BBGE	
COCC1CN(CC2(C(=O)NN)CC2)C1	1916282318	ZSBFZXKXTJZNCF-UHFFFAOYSA-N	213.281	-0.665	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)C(F)(F)F)n1	1923393527	JVBSHDHAGMTZHV-UHFFFAOYSA-N	237.141	-0.862	50	10	BBGE	
COC[C@](C)(CCl)CN=c1nn[nH]n1C	1926958537	BNMURGWJDKSSPP-MRVPVSSYSA-N	233.703	-0.065	50	10	BBGE	
CON(C)Cc1cc(F)cc(B(O)O)c1	1928682511	XJGGVLGCWIQZRX-UHFFFAOYSA-N	213.017	-0.501	50	10	BBGE	
C[C@@H](CN1CC(N2CCC2)C1)C(=O)NN	1932053148	OVQNSXRDMVXXJV-QMMMGPOBSA-N	212.297	-0.998	50	10	BBGE	
Cn1c(=O)n(C)n(C[C@@H](Cl)C#N)c1=O	1934714464	LVWZRPBEEKLGBW-YFKPBYRVSA-N	216.628	-0.984	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	1936091431	PBJJSSDKWLTBRZ-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2COCC[C@H]21	1936282151	CWXCWDFVZXJRGO-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
O=C(Cn1ccnn1)N1CCOC[C@H]1CCl	1937148548	FYTDNAUGJCVCAT-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CCCO1	1938246540	JIDLKSDSBTYVMU-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1SCCN(CC2(C(=O)NN)CC2)C1=O	1938249563	WMSNMXXBFZNPCA-SSDOTTSWSA-N	243.332	-0.280	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]2OCC[C@H]2C1	1938636362	MKCHXMBZCKZGEN-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CCOC[C@@H]1CCN(CCOCC(=O)NN)C1	1941773286	VTVWYQOQGWLYNC-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
CN(CCOCC(=O)NN)CC1(O)CCCC1	1941775204	OREIJNMLGPZVNB-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC1(F)F	1942457653	LQJDGWLKTYXLOS-LURJTMIESA-N	241.990	-0.645	50	10	BBGE	
COC[C@]1(O)CCN([C@H](C)[C@@H](C)C(=O)NN)C1	1946478625	FRUPPSGALHPHIF-KKZNHRDASA-N	245.323	-0.916	50	10	BBGE	
O=C(c1cnns1)N1CC[C@H](B(O)O)C1	1951321059	XJUDOESPDQUBOH-YFKPBYRVSA-N	227.054	-0.773	50	10	BBGE	
CN(CCBr)[C@@H]1CC(=O)NC1=O	1953694388	YFDFTILARIAXKM-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@@H]2C[C@H]2CCl)N1	1955097377	SLXQJFCJNBSITA-XLPZGREQSA-N	238.740	-0.105	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1955569460	NPKGSEPKOJNIBZ-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
CN(CCn1cncn1)C[C@H](O)CCl	1956754504	QIIUCUNJANKDSA-MRVPVSSYSA-N	218.688	-0.190	50	10	BBGE	
C[C@H](Cl)CC(=O)NCc1nc(=O)o[nH]1	1957318807	PVKXLQBGZFLVDI-BYPYZUCNSA-N	219.628	-0.004	50	10	BBGE	
OB(O)c1ccc(CN2CC(CF)C2)cc1	1976235234	FLQVZKQOWKRDAT-UHFFFAOYSA-N	223.056	-0.232	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]2SC(=O)C=C2C1	1981029458	YXZPNRPRYRXQBL-POYBYMJQSA-N	241.316	-0.361	50	10	BBGE	
COC[C@H](OC[C@H]1CCCOC1)C(=O)NN	1981417518	BBKWNRNPMKMYND-IUCAKERBSA-N	232.280	-0.566	50	10	BBGE	
CON(c1ncc(C)cc1B(O)O)C(C)C	1981470377	ASXBIPNGUDJPFC-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
CC[C@H](N)CN(CC)CC(=O)NNC(C)=O	1981714884	WXBLAHNJXKOSKE-VIFPVBQESA-N	230.312	-0.787	50	10	BBGE	
CO[C@@H](C)CCN(C)c1nc(B(O)O)cs1	1984688705	RRMWASJEPVUKPA-ZETCQYMHSA-N	244.125	-0.316	50	10	BBGE	
C[C@H](O[C@H]1C[C@H](n2ccnc2)C1)C(=O)NN	1986220717	BXXCZWCLWHNXNQ-CIUDSAMLSA-N	224.264	-0.018	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2C[C@@H]1CN(C)C2	1987562255	JRPDZBRNXAJRIE-AATLWQCWSA-N	226.324	-0.611	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)C=CC(=O)Cl	1991650368	NAGYRXPWYSTXOI-OIBQRHFYSA-N	244.678	-0.461	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC[C@@H]2C[C@H]21	1996257771	QERXAMCIHGKJDR-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CO[C@@H](C)C1	1996343361	WBQQLEKCXFQVMH-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOCCOCC1	1997203970	WRGBJCMPGBQXAW-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
OB(O)c1ccc(F)c(OCCC2COC2)c1	1998052235	YEMOWHQKPLRLRI-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1N(C)C	2003958206	MIMXOVGKIABDFA-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
COc1cc(CC(=O)NNC(N)=O)ccc1O	2004758262	CFUNEOPOXZGZJF-UHFFFAOYSA-N	239.231	-0.357	50	10	BBGE	
CN(Cc1cncs1)c1ccc(B(O)O)cn1	2004917001	SOXCWGSWFFVYHN-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCOC2)nc1	2004954131	ZIPXKINUXUQWRH-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
Cc1cn(-c2ncnc(C)c2B(O)O)c(C)n1	2005007393	FXNXQCRKWANKNP-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(N(C)C2CC2)C1	2005180999	YOIKMMMPPIVJSP-RKDXNWHRSA-N	240.351	-0.221	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@]2(CC[C@@H]2O)C1	2013326939	AXQPYHRARXZUHL-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC(C(F)F)C1	2014924823	QUIVAURIEJQGRR-UHFFFAOYSA-N	245.997	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCN1CCCC1	2019210294	NLLIRXQKVLRJDG-UHFFFAOYSA-N	242.323	-0.819	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccc(B(O)O)cc1	2022197073	XCWLWSXHQOJWPQ-UHFFFAOYSA-N	237.039	-0.078	50	10	BBGE	
CC[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@@H]1CO	2025432603	LVNDQHHZCHYWOI-GMTAPVOTSA-N	243.351	-0.049	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@H]21	2040764805	HYZOYTPFDBYWFB-FTLITQJKSA-N	247.063	-0.859	50	10	BBGE	
Cc1ccc(CN2[C@@H]3COC[C@H]2C3)cc1B(O)O	2077829438	OZDFAXMFCSBRSV-TXEJJXNPSA-N	247.103	-0.352	50	10	BBGE	
CSCCNc1cc(B(O)O)ccn1	2210061044	PSOTVZPPSBUEBE-UHFFFAOYSA-N	212.083	-0.464	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)[C@H](C)CO1	2210632348	XANDFXGSQRHNSO-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C1(CN2CCOCC2=O)CCC1	2212265675	JHOXHDCPKJHPAE-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
CC[C@H](CO)CNc1cc(B(O)O)ccn1	2212602719	IVBRXOCDGWUPTD-QMMMGPOBSA-N	224.069	-0.808	50	10	BBGE	
CC=CCCCN=c1ccc(B(O)O)c[nH]1	2212604129	MOPITPAZEAIBJN-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
COCCN(CCF)C[C@H]1CC[C@@H]1C(=O)NN	2215771730	JPDBQDMWQLMHAT-ZJUUUORDSA-N	247.314	-0.080	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1CO	2215776081	KTQDOEKNYZWVNM-RCWTZXSCSA-N	241.335	-0.437	50	10	BBGE	
NC[C@H](COc1ncccc1B(O)O)C1CC1	2217164793	DITVLGUCUDXHJO-SECBINFHSA-N	236.080	-0.875	50	10	BBGE	
CC(C)(C)N(CCO)c1cc(B(O)O)ccn1	2217175028	CDBQIEPIDMTDTA-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)[C@H](C)CO1	2217176527	XIYIOFSBVGLQTQ-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CCN(C[C@H](C)O)c1cc(B(O)O)c(C)cn1	2217179260	IPCDCUCRWWZAJG-VIFPVBQESA-N	238.096	-0.723	50	10	BBGE	
Cc1cnc(O[C@H]2CO[C@@H](C)C2)cc1B(O)O	2217179789	OKHORSILTUSZAW-DTWKUNHWSA-N	237.064	-0.374	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](CF)C2)c1F	2217181031	XCAJOEUBHJVSEH-SSDOTTSWSA-N	242.034	-0.304	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CCO[C@@H]23)nc1	2217182220	AQGMXYDMJBGIGE-FXPVBKGRSA-N	234.064	-0.792	50	10	BBGE	
CC(=O)c1cnn(Cc2cccc(B(O)O)c2)c1	2220063689	MWNKHMSHVCZTRY-UHFFFAOYSA-N	244.059	-0.186	50	10	BBGE	
CN1CC2(CCN2Cc2cccc(B(O)O)c2)C1	2222742100	FYAZKCMCFYQIKY-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNC2(CCC2)C1	2223631619	YUGSNSGXAIURRQ-SECBINFHSA-N	248.091	-0.575	50	10	BBGE	
CC[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CN1	2223635644	ZVYOKRLZDJMXKS-GHMZBOCLSA-N	249.123	-0.296	50	10	BBGE	
Cc1c[nH]c(=NCCc2ccco2)cc1B(O)O	2223650009	GZZAICLDURBCJE-UHFFFAOYSA-N	246.075	-0.261	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3OCC[C@H]3C2)c1	2223671723	AMMIMWZPOAMNHR-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)c1cc(B(O)O)ccn1	2223673946	MNESRDDBURVYTK-JGPRNRPPSA-N	248.091	-0.910	50	10	BBGE	
CN1CC=C(CNc2cc(B(O)O)ccn2)CC1	2223678754	HLFPEPVYAPPDMD-UHFFFAOYSA-N	247.107	-0.565	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1Nc1cc(B(O)O)ccn1	2223679743	UCXWZVAUWDQNIY-SCZZXKLOSA-N	249.123	-0.453	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncsc2B(O)O)C1	2243359718	WTOGIJLVFOJPOT-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243396029	GGPWKYQPOQDSMZ-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1CSC1	2243407135	LZIOHFFZUWVKRC-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2243409678	MROAUKRMQVRHAO-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
C=CC[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2243410447	BPKMWWQZGVVUNF-QMMMGPOBSA-N	227.069	-0.563	50	10	BBGE	
CSCCCNC(=O)c1occc1B(O)O	2243410897	JWZQZGSZEDZVCZ-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C#CCNC(=O)c1ccc(Cl)c(B(O)O)c1	2243412262	JHHRULNWFDYXFD-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CC(C)=CC(=O)Nc1cc(B(O)O)ccn1	2243679034	ROFGLWJHYVRNOP-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
NNC(=O)C(F)(F)COCC12CC(CO1)C2	2245239170	FKSCSHAOIPOXGE-UHFFFAOYSA-N	236.218	-0.193	50	10	BBGE	
COCCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245912912	JHINRLGOSVCOQO-UHFFFAOYSA-N	244.487	-0.715	50	10	BBGE	
CNC(=O)NCc1ccc(C)c(B(O)O)c1	2246250115	NOFHDGIBCKENMS-UHFFFAOYSA-N	222.053	-0.896	50	10	BBGE	
C[C@H]1O[C@]2(C(=O)O)C[C@@]1(NC(=O)NN(C)C)C2	2247272268	KJFNFZZDABQPOF-BDODKLCJSA-N	243.263	-0.463	50	10	BBGE	
O=C(C#CB(O)O)NCCc1ccccc1F	2247741920	HXZDLKMYUUBXSU-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1cc(B(O)O)c[nH]1	2247748112	XXAXYLVKFACLQX-BQBZGAKWSA-N	240.043	-0.970	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(B(O)O)c1C	2247761064	QKJUSFUPAJDBGC-MRVPVSSYSA-N	231.060	-0.574	50	10	BBGE	
NCC1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247790635	IJBOCFWLRHIEAW-KYZUINATSA-N	240.112	-0.515	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247799938	JRZHDPCAYQRTTR-ZETCQYMHSA-N	237.064	-0.180	50	10	BBGE	
NCCCCCCNC(=O)C1CC(B(O)O)C1	2247805371	JZSDDZVERTYDCG-UHFFFAOYSA-N	242.128	-0.125	50	10	BBGE	
CNCC1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247810415	XFFGDQHGIHIUSB-ZJUUUORDSA-N	240.112	-0.693	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H](C)C1CC1	2247873325	ALUJCTLMJDGDKA-LURJTMIESA-N	237.064	-0.204	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1F	2247875907	FKHDHBOYXZQUST-RCOVLWMOSA-N	237.039	-0.356	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247895023	NFQQXOOUCLVSLG-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
C[C@H](NC(=O)C(F)F)c1cccc(B(O)O)c1	2248414012	DDODBDLVTFPGSR-LURJTMIESA-N	243.018	-0.191	50	10	BBGE	
C=C1CC(C(=O)Nc2ccnc(B(O)O)c2)C1	2248414853	QHHBTCCVPDJLEG-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2248576885	JKDSXJSUDDHAJL-BIIVOSGPSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)CC1(NC(=O)C2(B(O)O)CCC2)CC1	2248587837	VCXZUQAQLVMHGI-UHFFFAOYSA-N	241.052	-0.493	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CCC1	2250545977	PABHKTCRNMNEQG-QXEWZRGKSA-N	241.335	-0.152	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1cc(B(O)O)oc1C	2255448142	BIFCCCPOPIEOJU-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
COc1ccc(C(=O)NCCC#N)c(B(O)O)c1	2255526129	OTSYNKWXGXPKQW-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
Cc1nc([C@@H]2CCCN2C(=O)C#CB(O)O)no1	2255672141	BORTVHJRSYIIOE-QMMMGPOBSA-N	249.035	-0.943	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ccc(B(O)O)cn1	2255675280	YNWCRGRCTMPKJT-MRVPVSSYSA-N	246.075	-0.709	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ncccc1B(O)O	2255692877	OGRWDKXCSHISDK-RKDXNWHRSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC=CC12CCC2	2255738583	VPLWQPDSTFVRAC-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@@H]3C2(C)C)n1	2257072607	WAOSFBVIIWGREE-BDAKNGLRSA-N	247.107	-0.300	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cc(=O)cc[nH]1	2257494109	XACHXWADYISRAU-SECBINFHSA-N	248.047	-0.795	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3COCC[C@H]32)c1	2298225820	ZQWCUXGWXMAJBX-YWVKMMECSA-N	234.064	-0.792	50	10	BBGE	
N[C@H]1[C@@H]2CC[C@H]1N(C(=O)C1CC(B(O)O)C1)C2	2298369962	KDKNOIGZLVRQID-SLJGFSCLSA-N	238.096	-0.813	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298370030	MBCMVRCVSXBZLK-KDXUFGMBSA-N	241.096	-0.628	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@@H](C(=O)NN)C2)C1	2299034738	GYHFLLNGMGGZRT-GXSJLCMTSA-N	241.335	-0.029	50	10	BBGE	
CCN(C)C(=O)c1cc(F)c(B(O)O)cc1O	2301378367	HKFLGWRIBDTWQC-UHFFFAOYSA-N	241.027	-0.697	50	10	BBGE	
OB(O)c1cc(NCC2(O)CCC2)ncc1F	2303834773	LQIFNIBGPCHLFV-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3CN[C@H]2C3)cc1B(O)O	2312612272	MAQYZGFWLDJHQL-MIMYLULJSA-N	247.107	-0.768	50	10	BBGE	
C[C@@H](CC#N)N(C)c1ccc(B(O)O)cc1C#N	2317155071	PZWMYLGRUNZBGP-VIFPVBQESA-N	243.075	-0.024	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1CCc2ccc(B(O)O)cc21	2319324064	SUMOUGIXRCSUCN-NSHDSACASA-N	243.071	-0.168	50	10	BBGE	
OB(O)c1cc(N[C@H]2C3C[C@@H]4C2[C@@H]4C3)ncc1F	2320795923	BIBPIFHWJCWKPO-XHIDMTEZSA-N	248.066	-0.033	50	10	BBGE	
CC(C)(C)NNC(=O)N[C@@H]1CCS(=O)(=O)C1	42872138	VJUCPQASGNNAHJ-SSDOTTSWSA-N	249.336	-0.224	50	10	BBGE	
CN(CC(=O)NN)c1cccc(C#N)c1	82469156	DOYPFNCUOFUHIF-UHFFFAOYSA-N	204.233	-0.016	50	10	BBGE	
C[C@@H](NC(=O)CBr)c1nn[nH]n1	82511013	AZUOEDHASZTWPL-GSVOUGTGSA-N	234.057	-0.228	50	10	BBGE	
C[C@H](Sc1n[nH]c(=O)n1C)[C@H](C)C(=O)NN	86314012	YRDNWEXMURVOEZ-WHFBIAKZSA-N	245.308	-0.785	50	10	BBGE	
CC(C)(C)OC(=O)NCC(=O)NNC(N)=O	95642547	JKUWWGTUBVBLIV-UHFFFAOYSA-N	232.240	-0.789	50	10	BBGE	
NNC(=O)c1coc(CN2CCC(N)CC2)c1	104121670	CGSRHLJHIOISTF-UHFFFAOYSA-N	238.291	-0.194	50	10	BBGE	
CCc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NN	111236998	JUBMQDSDRBITKS-UHFFFAOYSA-N	247.254	-0.232	50	10	BBGE	
C[C@H](CN1C[C@@H](C)[C@@H](N(C)C)C1)C(=O)NN	125707649	JDILUVSTBUELMU-BBBLOLIVSA-N	228.340	-0.506	50	10	BBGE	
Cn1cc(COc2cccc(B(O)O)c2)cn1	197957940	CBPHXZIIXMPPFA-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CC[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)B(O)O	206977097	XHZZNKZVBHMLMF-DTWKUNHWSA-N	244.100	-0.946	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1ccc(C(=O)NC)n1	211914135	LXCLUDOOKWVJIG-QMMMGPOBSA-N	239.279	-0.426	50	10	BBGE	
C[C@@H](O)CN(C)S(=O)(=O)CCCl	232299360	YDFHCTBRFNKYDL-ZCFIWIBFSA-N	215.702	-0.132	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CCOC1	232300580	UJZRMDPZYYULIQ-LURJTMIESA-N	213.686	-0.067	50	10	BBGE	
CCOCCN(CC)[C@@H](COC)C(=O)NN	232420231	RNSIBZNBFMUFRR-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
COC(=O)[C@@H]1ON[C@H](C)[C@@H](O)[C@@H]1Cl	238356648	AGDBPIAWOSUAEW-JGWLITMVSA-N	209.629	-0.580	50	10	BBGE	
C[C@H](N)CS(=O)(=O)SC[C@@H](C)N	238425209	PJSOLYYNDXWCQT-RITPCOANSA-N	212.340	-0.256	50	10	BBGE	
Nc1cnc(C(F)(F)F)c(B(O)O)c1	238575677	HWFBYSVPYFUVBT-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
O=Cc1ccnc(C(F)(F)F)c1B(O)O	238612294	UAVRAECCSHPNGF-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
NNC(=O)NCc1ccc2c(c1)NC(=O)CO2	258792742	QJEVGDZUJWGKGU-UHFFFAOYSA-N	236.231	-0.310	50	10	BBGE	
COc1ccc(OC)c([C@H](N)C(=O)NN)c1	258972691	IIZVEKBXIWOOBY-VIFPVBQESA-N	225.248	-0.307	50	10	BBGE	
CCN(CCCCC(=O)NN)CCOCCO	310204367	BCULJHLEMMTJOL-UHFFFAOYSA-N	247.339	-0.523	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]2(CCN(C)C2)C1	310553473	XFLPRNBSPATARY-JQWIXIFHSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O	376821000	CMCZXAGJXBXNMJ-SECBINFHSA-N	249.270	-0.013	50	10	BBGE	
N[C@]1(C(=O)O)CC[C@H](CCB(O)O)C1	379511779	SMLPIZSADMHXPG-HTRCEHHLSA-N	201.031	-0.569	50	10	BBGE	
NNC(=O)CN1CCc2sccc2C1=O	379779405	BPCGTNAUZPIOJB-UHFFFAOYSA-N	225.273	-0.264	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@@H]1C[C@@H]1C	381433426	XIJGQNJAUVEHJT-RNJXMRFFSA-N	213.281	-0.227	50	10	BBGE	
O=C(NN[C@H]1CCSC1)[C@H]1COCCN1	381799488	CUARXJVFOXRZQO-JGVFFNPUSA-N	231.321	-0.899	50	10	BBGE	
O=C(O)/C=C\C(=O)NNC(=O)CCl	383691754	ZEIVQNITFBBDPS-UPHRSURJSA-N	206.585	-0.987	50	10	BBGE	
CN(NC(=O)CCNCC(F)(F)F)C(N)=O	390560325	RTDRGDKBITVYCI-UHFFFAOYSA-N	242.201	-0.430	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(B(O)O)cc1F	405192462	YNDSOOVINCWASM-UHFFFAOYSA-N	247.056	-0.733	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCCC1=O	685956471	BPCNNDNYXMBJJT-UHFFFAOYSA-N	207.180	-0.766	50	10	BBGE	
COCC(CCC[N+](=O)[O-])=NNC(N)=O	687759195	YQFRMPHABBHJOJ-UHFFFAOYSA-N	218.213	-0.286	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CC(N)=O)C1	690736675	JXCKNQVWIFMWLV-YIZRAAEISA-N	242.323	-0.802	50	10	BBGE	
CN(CCO)CCN(C)C[C@@H](Cl)C#N	691265757	PFOMTYYXSFTJPP-VIFPVBQESA-N	219.716	-0.027	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)CCCl)C(=O)NC	697907315	YZBXNTNTBIMQOD-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@H]2C1	699269626	LIZFBDVXNKAPFW-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1ccnc1[N+](=O)[O-]	702728827	GMSSXHCKPNLFKX-LURJTMIESA-N	227.224	-0.022	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]3CC[C@H]2C3)n1	703649401	HKDHRQHRBOVDSY-GUBZILKMSA-N	220.081	-0.001	50	10	BBGE	
CCO[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	706227990	OJPFFBCPZAKGMN-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706303530	SBDZHOOYKUVKKH-BBBLOLIVSA-N	226.324	-0.752	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707280390	ZBWWAYPEIXEMRU-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
C#C[C@@]1(O)CCN(S(=O)(=O)CCCl)C1	708105200	WLWGRNNPEYPROP-MRVPVSSYSA-N	237.708	-0.375	50	10	BBGE	
C#CCCS(=O)(=O)N1CCOC[C@H]1N=C=O	710918398	WJCLIXURMKCELN-VIFPVBQESA-N	244.272	-0.666	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)C1=NCN=C1	725663754	LOHVGEKKGXGXNT-CAHLUQPWSA-N	215.640	-0.408	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cn(C)nn1	809670447	MSMLIOXBZGSOMY-NTSWFWBYSA-N	223.236	-0.768	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1CN(CC)C1	822037672	TUWWCZQYJRJWGU-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
O=C(NNC(=O)C1CC2(CC2)C1)c1cnn[nH]1	826583566	HTPBAXLRKSQCMX-UHFFFAOYSA-N	235.247	-0.244	50	10	BBGE	
C[C@H](O)[C@@H]1CN(S(=O)(=O)CCl)CCO1	849399795	NYRBKDNVAWSVIA-BQBZGAKWSA-N	243.712	-0.406	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cc[nH]n1	855354845	KLTVNJIFIMRPOP-ZCFIWIBFSA-N	221.220	-0.280	50	10	BBGE	
CN(NC(=O)[C@H](O)c1cnc[nH]1)C1CC1	868962337	VQWDOXQPLNATIK-MRVPVSSYSA-N	210.237	-0.432	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C12CCN(CC1)C2	910141309	XRCMXELBCZIIQO-VIFPVBQESA-N	227.308	-0.574	50	10	BBGE	
O=C1C[C@H](CCNS(=O)(=O)CCl)CN1	1262192559	JTECLJPROPKQFI-LURJTMIESA-N	240.712	-0.372	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1CCC=CO1	1292259462	XGMDSSDVFYYNHY-ZETCQYMHSA-N	213.237	-0.019	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(NC)cn1	1464432252	PPCLQFQOGPHMND-UHFFFAOYSA-N	223.236	-0.303	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)N(C)C	1583711586	FCHOXUQXPRINKC-ZETCQYMHSA-N	214.269	-0.617	50	10	BBGE	
Cc1cnccc1CC(=O)NN(C)C(N)=O	1632039215	GQCPAONLQNVAGM-UHFFFAOYSA-N	222.248	-0.026	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1ccc(C#N)cn1	1634216250	HTPOFSNGXOKDLY-QMMMGPOBSA-N	218.216	-0.057	50	10	BBGE	
CO[C@@H]1CN[C@@H](C(=O)CCl)[C@H]1OC	1884169804	HIVYCODLZICZRA-CSMHCCOUSA-N	207.657	-0.204	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H]1CC(=O)NC1=O	1884194969	BSEFTKBILXIZBR-DMTCNVIQSA-N	249.064	-0.699	50	10	BBGE	
NCCSSCCNC(=O)CC(=O)O	1885645405	LRMVOYJHMWLEFF-UHFFFAOYSA-N	238.334	-0.083	50	10	BBGE	
CC[C@H](O)CN1CCC(B(O)O)CC1	1886963184	DMBYWWIQMRYLIO-VIFPVBQESA-N	201.075	-0.304	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CCO[C@@H]3C2)n1	1895128576	UUCVAAAMGFKXSL-NKWVEPMBSA-N	240.093	-0.952	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C1(C)C	1900685450	CHPKLGJSBWPRLH-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN(C)S(C)(=O)=O)CN1	1901340336	CCOKQLJBVFWSJN-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C=CCNC1	1901341046	ODAYIEYCQKOXMH-QMMMGPOBSA-N	247.320	-0.925	50	10	BBGE	
CC(C)=C(CN1C[C@H]2COC[C@H]2C1)B(O)O	1901613743	QERUPYTYOARBHQ-AOOOYVTPSA-N	225.097	-0.087	50	10	BBGE	
CCc1nonc1CN1CC[C@@H](B(O)O)C1	1902552364	YBFGVGTUCUEMIY-SSDOTTSWSA-N	225.057	-0.319	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	1903005452	HESQZLVKCNIOFH-JGVFFNPUSA-N	226.016	-0.900	50	10	BBGE	
C[C@@H](CN(C)C)N(C)CC(C)(C)C(=O)NN	1904707550	JHGLAZIYKGZJDF-VIFPVBQESA-N	230.356	-0.116	50	10	BBGE	
COC[C@]12C[C@H]1CN(CC1(C(=O)NN)CC1)C2	1906346350	OMSGHVZJFJZMGQ-JOYOIKCWSA-N	239.319	-0.275	50	10	BBGE	
CO[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@@H]1C	1908480302	QCCIWOASNHESKV-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)CCCCCC(=O)NN	1916200563	QCDIOFLQUIIZSN-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNCCO2)CC1	1917051393	CKLJVLWXZSMKPU-JTQLQIEISA-N	221.260	-0.343	50	10	BBGE	
CON(CCO)S(=O)(=O)CCl	1923918996	MKEWAIIITTYFTG-UHFFFAOYSA-N	203.647	-0.632	50	10	BBGE	
C[C@@H]1OCC[C@@H]1SCCOCC(=O)NN	1928181200	KYJKYAHWKOZKSW-YUMQZZPRSA-N	234.321	-0.097	50	10	BBGE	
CC[C@H](Cl)CNC(=O)Cn1cnnn1	1928695581	DMZHHVSFWWJYJT-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
O=C(CCl)N1C[C@H]2OCCO[C@@H]2C1	1930248545	MHMCUTPQJWSFSJ-RNFRBKRXSA-N	205.641	-0.149	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2CC[C@@H]21	1931927030	MJCVOBMYEIRHFD-NKWVEPMBSA-N	201.295	-0.444	50	10	BBGE	
COCCC1CN([C@@H](C)C(=O)NN)C1	1932057585	MGILTVDAVMUBGO-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1F	1932370285	BMMCHTOMJOECQX-XLPZGREQSA-N	203.261	-0.098	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936086905	WYGZTRGBENPRBU-DSYKOEDSSA-N	225.248	-0.993	50	10	BBGE	
Cn1nnc(CN2C[C@H]3C[C@@]2(CCl)CO3)n1	1938144460	IVDYKAADAQZNCT-VXNVDRBHSA-N	243.698	-0.208	50	10	BBGE	
CC1(C)CCO[C@H]1Cn1cc(B(O)O)cn1	1939296080	OOVSWBBKPYBMFU-VIFPVBQESA-N	224.069	-0.622	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@@H]21	1940721870	XDLKBEMVAAPELM-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(N2CCCC2)C1	1940891309	QFDWTRQSFBLHIF-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1941288651	QFPQDTGAWUTNKP-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1C(N)=O	1942615871	LHMBTJXBSJTRRN-HLTSFMKQSA-N	242.323	-0.803	50	10	BBGE	
CO[C@H]1COC[C@H]1Oc1cccc(B(O)O)c1	1942933768	GZILXDXHSGXHKT-WDEREUQCSA-N	238.048	-0.841	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCn1ccnc1	1944475755	PBDKRGAZFKDGKQ-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]1O)CC1(C(=O)NN)CC1	1945882666	LLGWWJSWOUIMFV-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(CO)(CO)[C@@H](Br)CO	1952044585	NSDBYHBROXOJEM-YFKPBYRVSA-N	213.071	-0.267	50	10	BBGE	
COC(=O)c1cc([C@@H](N)[C@H](O)C#N)n(C)n1	1953031716	RFJPGEZKAFMEQA-HTQZYQBOSA-N	224.220	-0.909	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCNC(N)=O	1954238877	JWPFZPZJFNYUBQ-YFKPBYRVSA-N	207.661	-0.212	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1957069610	KVEBFNQWUAURIZ-XQXXSGGOSA-N	219.668	-0.432	50	10	BBGE	
OB(O)c1cnc(OCC(F)F)c(F)c1	1961688222	RMZXTIAPURPRTF-UHFFFAOYSA-N	220.943	-0.456	50	10	BBGE	
OB(O)c1csc(N2CCC3(CC3)C2)n1	1961718322	MYNYXLNGJXKJIS-UHFFFAOYSA-N	224.094	-0.187	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)c1ccnn1C	1961789615	OQGPPRMWURGFPQ-SSDOTTSWSA-N	211.269	-0.375	50	10	BBGE	
CO[C@H]1CC(N(C)CC(=O)NN)C[C@@H]1OC	1979273721	OTAWCQAQTYZWJX-IUCAKERBSA-N	231.296	-0.900	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2c(ncn2C)C1	1980820992	LRQGKUVWKKHZDX-ZETCQYMHSA-N	223.280	-0.843	50	10	BBGE	
NNC(=O)C1(CN2CC=C(CO)CC2)CC1	1980967205	QOTWVWRLXXPNQM-UHFFFAOYSA-N	225.292	-0.619	50	10	BBGE	
CN(CCOCC(=O)NN)CCC(C)(F)F	1981152511	GGTYBYSPFCTAPB-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
OB(O)c1cncnc1SC1CCOCC1	1981454748	OQFWJJGJMPOWKA-UHFFFAOYSA-N	240.093	-0.573	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cc1)N(C)C	1983809348	OGBUJBQMYRIMOS-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CC1(F)F	1985884844	SFVSDFITIASPAK-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NCC2(O)CC2)[nH]1	1987323415	WYKCOGMONKXHCC-UHFFFAOYSA-N	243.698	-0.576	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@@H]2C1)C(=O)C(=O)NN	1988192585	XPLKOVVZGZSUEO-AYMMMOKOSA-N	225.292	-0.129	50	10	BBGE	
CN(C)C[C@@H]1CN(CC(=O)NN)C(C)(C)C1	1989786761	CRRUZMFRGAYRDR-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
N=C(NO)c1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H]1Cl	1991684144	AFZGBQRTJOGVCM-UCORVYFPSA-N	243.654	-0.298	50	10	BBGE	
CN1CCO[C@@H](CNC(=O)/C=C/C(=O)Cl)C1	1991712890	MJMJQUFBXBPXHO-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
NCCO[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991714957	NNXBFPGIRZEFLM-FHKCNRDCSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@H]2COC[C@H]12	1991717406	XIMDZHNGYFYKBK-GMCWOFSTSA-N	245.662	-0.162	50	10	BBGE	
CCn1nnc(CN[C@H]2CN(C)C[C@H]2Cl)n1	1992011499	GHVIPTPTTMWYQT-SFYZADRCSA-N	244.730	-0.296	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CCC[C@@H]21	1992154028	UYRDGDUEVZDRLO-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
NNC(=O)COCCN1C(=O)CC12CCCC2	1996582256	JIVSRDFJWPSLQM-UHFFFAOYSA-N	241.291	-0.462	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC([C@@H](F)CO)CC1	1999598300	BTCSFTUFDLUBQB-SCZZXKLOSA-N	247.314	-0.203	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C(=O)NCC)C1	2002652132	LKUOZKMFYIYSTK-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)CCCCN1CC(=O)N[C@H]2CC[C@H]21	2002915439	RYERGSIOWBLIPJ-DTWKUNHWSA-N	240.307	-0.891	50	10	BBGE	
CC[C@H]1CN2CCC[C@@H]2CN1CCC(=O)NN	2004369156	KNVPUVCKBIUZSG-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](CC1CC1)N(C)c1ncc(B(O)O)cn1	2004911184	DKVPKUODFWPPDE-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CCC1CCN(c2ncncc2B(O)O)CC1	2004920607	LMJYAVPHDPHVOY-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CC[C@@H]1CN(c2ccncc2B(O)O)CCO1	2004936109	VBMXKAYSICSWPA-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2C[C@@H]2C)c1B(O)O	2004973336	SSLOVRUXLLMLFM-IONNQARKSA-N	235.096	-0.443	50	10	BBGE	
COCCCN(C)c1ncc(B(O)O)cc1C	2005014887	SBVVUUXYCZRILI-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(CO)C2)cn1	2007741176	OJLMBNWUFHYLFT-UHFFFAOYSA-N	236.275	-0.891	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(C2)C[C@@H](O)C3)CC1	2011292797	HZPHFWJCKONYCJ-JGZJWPJOSA-N	239.319	-0.397	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2C(F)F)nc1	2013052324	KDZAPYVWKBENMW-UHFFFAOYSA-N	239.978	-0.720	50	10	BBGE	
CC(C)c1nccn1-c1ncncc1B(O)O	2013222378	NNNZLVWLCWBMFK-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CC(CF)C2)O1	2018242580	LCSJSTHCRCUWKL-NXEZZACHSA-N	245.298	-0.185	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@@H]1C1CC1	2040767498	SHFFXUACOJOTKV-ZJUUUORDSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)n1	2052558913	GRHYVMBLXBSNJC-SVDPJWKOSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3C[C@@H]3C2)n1	2052623788	MVCAVOHQIGINLW-NXEZZACHSA-N	247.107	-0.381	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(C#N)c1B(O)O	2060307818	OASKLSQCRHXVEV-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@H]32)nc1	2066310408	RVUXNXSBPZRFKD-MWLCHTKSSA-N	248.286	-0.484	50	10	BBGE	
Cc1ccc(NC(=O)c2ncc[nH]2)cc1B(O)O	2077802176	LJWHAJGAJWMQBR-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]1C1CC1	2079010556	QIDXFNVTZLCRDL-GFCCVEGCSA-N	245.087	-0.009	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1C=CCC1	2084690908	SLLXPZPZUXXSQF-NSHDSACASA-N	245.087	-0.051	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(F)C1	2210011066	ZKYPGWBAFJWWDU-ZXFLCMHBSA-N	201.245	-0.201	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NCC=CB(O)O)O1	2210966408	WZUSPNQXAKPKNA-IUCAKERBSA-N	227.069	-0.372	50	10	BBGE	
CNCCSCC1(C(=O)NN)CCOCC1	2212443626	UOWGDJWSLNCZLP-UHFFFAOYSA-N	247.364	-0.274	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](F)C2)c1F	2212605492	FTPFMHZFYIJTHP-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	2215199377	PRCMSEPBXILDRU-VPJKUYQRSA-N	239.319	-0.136	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215777325	RZHDJFCEFKYKHK-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)C1(CO)CC1	2216884485	VZAQKWGSHVUOTF-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CC1(O)CCN(c2ncccc2B(O)O)CC1	2217175616	LGRNAXSNPTVLBQ-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2ncccc2B(O)O)C1	2217184352	OQYSPCSHTXTUIN-RKDXNWHRSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC2(F)F)c1F	2217184904	SCQBLFVILFEFOM-RXMQYKEDSA-N	245.997	-0.032	50	10	BBGE	
C[C@@]1(CCNc2ncccc2B(O)O)CCN1	2217195124	FXMIXQGIVFFGAH-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccnc(OC2CCNCC2)c1F	2217195179	GQXJDJGLFRYQKW-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
C#CCN(CC1CC1)c1ccc(B(O)O)cn1	2217198320	ZOUANWQBTKMVHZ-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
C=C[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	2217200174	ILPKRMCQIHKWGJ-VIFPVBQESA-N	233.080	-0.441	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1Cc1cccc(B(O)O)c1	2220063984	VINCMCJBRRVIDJ-GXFFZTMASA-N	248.135	-0.322	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2CC[C@@H]2C)ncc1B(O)O	2220568504	NORCMJGNDXOPFB-XPUUQOCRSA-N	249.079	-0.551	50	10	BBGE	
Cn1ncc2c1CN(CC1(C(=O)NN)CCC1)C2	2222572476	IDEOKLLUBKIUOZ-UHFFFAOYSA-N	249.318	-0.104	50	10	BBGE	
C=CCC1(O)CN(c2cc(B(O)O)c(C)cn2)C1	2223643844	BDEMPCAHHZQFFG-UHFFFAOYSA-N	248.091	-0.803	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCC12CNC2	2223676051	VPWUIHANIVZKIT-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CC[C@H]1CNC2	2223676762	FTJWMYRAZDFAHV-CABZTGNLSA-N	247.107	-0.827	50	10	BBGE	
Cc1c(Cl)cc(C(N)=O)cc1B(O)O	2241480793	LXMLFMPBBRCZCH-UHFFFAOYSA-N	213.429	-0.573	50	10	BBGE	
COC(=O)c1c(Cl)cccc1B(O)O	2241492856	GMUBCCVDBNMPPT-UHFFFAOYSA-N	214.413	-0.194	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cscc1B(O)O	2243347161	IJRUPGHYZZLPNL-ZETCQYMHSA-N	235.073	-0.724	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)oc1C	2243347171	INWYIJCBWFVHBN-UHFFFAOYSA-N	225.009	-0.885	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC(F)(F)C1	2243349447	LPEVWFILTGYFHP-SSDOTTSWSA-N	231.007	-0.352	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC(C)C	2243350051	UWQIVYVPXLMMEG-UHFFFAOYSA-N	225.053	-0.346	50	10	BBGE	
C=C(CC)CNC(=O)c1ccc(B(O)O)o1	2243361729	GHINERCTJUTGKZ-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCN(C)C(=O)c1ncc(C)cc1B(O)O	2243381845	JOXCTIBEIARIDR-UHFFFAOYSA-N	222.053	-0.838	50	10	BBGE	
COCCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243396744	QFJPLERDHYLMQX-KYZUINATSA-N	229.085	-0.266	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCC[C@@H]21	2243400110	WAEFDJOEZROBQE-UTLUCORTSA-N	221.065	-0.446	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NCC1CC1	2243414781	IEMDFURFSDCGPM-UHFFFAOYSA-N	240.093	-0.729	50	10	BBGE	
C#CCC(=O)N[C@@H](C)c1nscc1B(O)O	2243668235	NRAALMJFBICDIL-LURJTMIESA-N	238.077	-0.977	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1coc(B(O)O)c1	2244149723	OWZWMLNNRGXRHK-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(B(O)O)oc1C	2247734625	UPDNMEIGFGKQDM-ZCFIWIBFSA-N	239.036	-0.496	50	10	BBGE	
CC1CCC(O)(CNC(=O)C#CB(O)O)CC1	2247744160	OMMYEKVJYXXAMM-UHFFFAOYSA-N	239.080	-0.941	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCOC1	2247750928	PZCBAGJUFDVAQB-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1occc1B(O)O	2247754516	MJIURNIGIAKIJX-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CO[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786505	BSZKZKUEKMFCMZ-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
CCN(CCCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786874	HYYNFFFTKUERBH-AOOOYVTPSA-N	243.112	-0.140	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247791218	LVMMLVPGMXAOBN-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](F)C[C@@H](O)C1	2247800415	OUUMUOXESFRWCB-ABIFROTESA-N	245.059	-0.829	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247800456	PGVGAMGQXNAQLA-UTINFBMNSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1CNCC12CC2)C1CC(B(O)O)C1	2247804796	IPWMUAMHUUUVDZ-AMDVSUOASA-N	238.096	-0.892	50	10	BBGE	
CO[C@H]1CCN(C(=O)C#CB(O)O)[C@@H]1C(C)C	2247846833	MWEHGPNODHOFKJ-GXSJLCMTSA-N	239.080	-0.726	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCCOC1	2247860396	WNINTZRMTAIOTM-QXEWZRGKSA-N	241.096	-0.075	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1C(=O)C1(B(O)O)CC1	2247872832	ZDQCDDDNWZRWGZ-VIFPVBQESA-N	238.096	-0.678	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2C[C@@H]2C)c(B(O)O)c1	2247891910	QGCGMOPXSMKPTF-IONNQARKSA-N	234.064	-0.792	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@H]1CO	2247895695	VBJHVBNWDPIFAN-BQHMLIOBSA-N	239.080	-0.921	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1ccc(B(O)O)cc1	2248395249	IYQRDOMAOROGNV-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@]12C=C[C@@H](CC1)C2	2250000067	DIADBOCCZQQOAI-JQWIXIFHSA-N	233.076	-0.136	50	10	BBGE	
CN1CC[C@@](C)(COCCOCC(=O)NN)C1	2253316391	FEQQBHQUENKNEQ-LLVKDONJSA-N	245.323	-0.649	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1nccn1C	2254031578	UUYVMWYYRVHXQK-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@@H]1C	2255500067	GSTOTKUQLAWKQG-XVKPBYJWSA-N	249.075	-0.487	50	10	BBGE	
C#CCCCNC(=O)c1nccc(C)c1B(O)O	2255581924	RXPJQQYTNJQBEV-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1ccc(B(O)O)o1	2255669718	SJNVCRQKMASBDE-PRHODGIISA-N	249.075	-0.121	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3coc(B(O)O)c3)[C@H]1C2	2255729739	ZZLQHMUQARWTEW-VDDIYKPWSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255736991	XRFVMPVDQCEMBA-AKZRSSKFSA-N	248.091	-0.607	50	10	BBGE	
C#CCCC(=O)N1Cc2cccc(B(O)O)c2C1	2256637174	RYJJYTPOJMKYOB-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
C=CCCN(C)C(=O)c1ncc(B(O)O)cc1C	2257492858	YHDVFQTYYJMVIF-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@H]2C[C@@H]2C1	2257494272	XYEAWKKQGICROO-RKDXNWHRSA-N	246.075	-0.838	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CC=CC3)C2)nc1	2258902235	HMFUWDZPPXJJKF-UHFFFAOYSA-N	245.091	-0.297	50	10	BBGE	
Cc1nn([C@H](C)CC(=O)NN)c(=O)o1	2297013652	JCCOXLUOOAFECO-SCSAIBSYSA-N	200.198	-0.914	50	10	BBGE	
CCS(=O)(=O)N(C)[C@H](C)CC(=O)NN	2297013901	NPRLNXDFEGGPRM-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
O=C(N[C@@H](CO)C1CCCC1)[C@@H]1C[C@H]1B(O)O	2298371751	ULLGJEFHOAYKSR-BBBLOLIVSA-N	241.096	-0.483	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298375406	IQPZZXRFDYHZON-GRDBIXFFSA-N	238.096	-0.813	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](C2(O)CC2)C1	2298375414	IVCMYVBIDFZHIU-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2C(C(F)F)[C@H]2C1	2298377287	LFTOANNCHKNZBN-JRTVQGFMSA-N	245.034	-0.181	50	10	BBGE	
C=C(CN1CC[C@@H]2CCCN(C)[C@H]2C1)B(O)O	2299137284	OSNDMGAEASXLGQ-RYUDHWBXSA-N	238.140	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@]2(CO)CC[C@H]1C2	2299759177	ZZEPRSXECPSDST-FYLLDIAZSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@H]1C[C@H]2O	2300201050	KHZPYIYFBILIHD-QUARPLMYSA-N	241.335	-0.154	50	10	BBGE	
COCC1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300369927	IZUCXKYXIZXNDV-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C=C[C@@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2301422026	CJWSRKRMPFYCIE-VIFPVBQESA-N	235.048	-0.862	50	10	BBGE	
CC(C)=C(CN1CCO[C@H]2COC[C@@H]21)B(O)O	2301958101	HXPTVYDNYYPBMG-QWRGUYRKSA-N	241.096	-0.566	50	10	BBGE	
CCOCCOCCN1CC[C@](C)(B(O)O)C1	2303120940	POTVDLYJJOCRBE-NSHDSACASA-N	245.128	-0.022	50	10	BBGE	
C[C@H]1CNC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317350014	MIGFIGMQOBJRRA-QPUJVOFHSA-N	249.075	-0.834	50	10	BBGE	
Cc1ncnc(OCc2ccccn2)c1B(O)O	2317843099	BWMAIPISSHQCKC-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CNC(=O)CN(C)C(=O)NC(=O)[C@@H](C)Cl	37269388	BHIMCLWSZYPHQG-RXMQYKEDSA-N	235.671	-0.472	50	10	BBGE	
NNC(=O)CCN(CCO)Cc1ccccc1	40173545	SKKSKSDYRLSYBQ-UHFFFAOYSA-N	237.303	-0.139	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)NC(=O)CCCl	42576076	VKICUTWDCPJKRV-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
CN1CCC[C@H](N(C)CCC(=O)NN)C1	82468591	COGPWLGXAKZKCA-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C(C)(C)C)CC1	82470515	QIIWPVLZGVDWCS-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
Cc1cc(=O)[nH]c(SC[C@@H](C)C(=O)NN)n1	82471977	WCAQWVIMERACME-RXMQYKEDSA-N	242.304	-0.204	50	10	BBGE	
O=S1(=O)C=C[C@@H](NS(=O)(=O)CCl)C1	84131706	FJUUAOUSFYBUCB-RXMQYKEDSA-N	245.709	-0.587	50	10	BBGE	
NNC(=O)CCCCCSC[C@H](O)CO	86661883	GFQKRXWDAOPWFR-MRVPVSSYSA-N	236.337	-0.377	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	127929807	ZXOHEJBWPYITTQ-AEJSXWLSSA-N	228.340	-0.221	50	10	BBGE	
CC[C@@H](C)c1cc(C(=O)NNC(=O)CO)on1	180949179	OUHJABLYOGVJKM-ZCFIWIBFSA-N	241.247	-0.059	50	10	BBGE	
CCCN(CCC)c1ncc(B(O)O)cn1	204152114	CWTNBTLXQAPTMV-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
CCN/C=C(/C#N)C(=O)N1CCNCC1	216966307	PGYFLWRJKVMERH-HJWRWDBZSA-N	208.265	-0.565	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1c[nH]nn1	228956382	SRJWEORBRWVGCA-YFKPBYRVSA-N	218.644	-0.212	50	10	BBGE	
C#CCSCCN1CC(=O)OC(=O)C1	231966337	QGLXKWVEMSDSKX-UHFFFAOYSA-N	213.258	-0.262	50	10	BBGE	
Cn1c(B(O)O)cc2ccccc2c1=O	238561580	WHSSBQMDDIXBKH-UHFFFAOYSA-N	203.006	-0.782	50	10	BBGE	
O=CC(=O)[C@@H](Br)[C@@H](O)C=O	238722510	IBTSLGSTYHJGDR-UCORVYFPSA-N	208.995	-0.922	50	10	BBGE	
CS(=O)(=O)c1ncc2c(n1)C(=O)OC2=O	258381951	ZEFQLRUGHFPOMT-UHFFFAOYSA-N	228.185	-0.809	50	10	BBGE	
CC[C@@H]1COCCN1[C@H](COC)C(=O)NN	299995216	HCQSHNIYQGPEJS-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)CSCC(=O)N1CCCC1	300874341	REXVRTFPDNHRIF-UHFFFAOYSA-N	217.294	-0.668	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2O[C@@H]3OC(=O)[C@H]1[C@H]3[C@H]2Cl	306295349	HVZSFHUHGUBNBY-SQRSGWMBSA-N	218.592	-0.178	50	10	BBGE	
C[C@@H]1O[C@@H](OCCCl)[C@@H](O)[C@H](O)[C@@H]1O	307079752	NVKRALSJYXPFIY-FMGWEMOISA-N	226.656	-0.931	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1cnn(C)n1	308791436	BDKZKVDJEPHFKK-LURJTMIESA-N	232.671	-0.201	50	10	BBGE	
CCC(=O)NNS(=O)(=O)c1ccc(N)cc1	380989431	KRIDLPDCKVMWSR-UHFFFAOYSA-N	243.288	-0.012	50	10	BBGE	
CC1(O)CN(Cc2ccsc2C(=O)NN)C1	384061415	QFUQUWANNFSYND-UHFFFAOYSA-N	241.316	-0.082	50	10	BBGE	
CC1(O)CN([C@@H](C(=O)NN)c2ccccc2)C1	384068047	SJDKDUCTWSXALE-SNVBAGLBSA-N	235.287	-0.216	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3C[C@H]2CO3)on1	387742842	QIWWRJGMGFFYPS-NKWVEPMBSA-N	238.247	-0.749	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	388650011	RPXIXQHXORZNKU-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
CN(C)c1cnc2ccc(B(O)O)cc2n1	390235255	KDISQUGLXNBKPN-UHFFFAOYSA-N	217.037	-0.624	50	10	BBGE	
C[C@@H](Cl)c1n[nH]c(=N[C@H]2CN(C)NC2=O)o1	393917811	NDMDPIOBGCXBRD-UHNVWZDZSA-N	245.670	-0.452	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](O)[C@@H]1C	395109889	SFCVNBWBTTTYEK-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1CC(=O)O	396134522	VCCSMSXQOKQUFS-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1ccc2c(B(O)O)c(CO)sc2c1	396219155	KDLYMKQBDFEVFE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CNC(=O)NCCNC(=O)CBr	397470412	XYQPTOGLLZPCRJ-UHFFFAOYSA-N	238.085	-0.574	50	10	BBGE	
Cc1ccc(NC(=O)N(C)C)cc1B(O)O	405133911	IGDPPNIQECYZKP-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
CCN(CC)CC[S@@](=O)CC(=O)NN	526903060	GSHHUMDWPZUZIK-CQSZACIVSA-N	221.326	-0.933	50	10	BBGE	
O=C(CCCCCl)N[C@@H]1C(=O)OC[C@H]1O	675079798	IREPUGYJNOUJRI-SVRRBLITSA-N	235.667	-0.202	50	10	BBGE	
CN1CCO[C@H](CN2CCC(O)(C#N)CC2)C1	685996268	MSHGZLSAYPNSSN-NSHDSACASA-N	239.319	-0.333	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@H]3C2)O1	688272284	MCJQVYDPKKKGMA-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@@H](C)[C@@H](C)C(=O)NN	692095604	LSZPYMMUXHASBS-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1	692125996	YTXCWCRZDIZNAM-NXEZZACHSA-N	237.303	-0.009	50	10	BBGE	
CC1(C)CC[C@H](Cn2cc(B(O)O)cn2)O1	694536376	QZDPOFAANPGBKG-SECBINFHSA-N	224.069	-0.480	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1(C)COC1	702960226	LTHWOZAFEYJIAQ-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2nn[nH]c2c1	705996103	LMARIKMMKUTPJR-UHFFFAOYSA-N	220.192	-0.729	50	10	BBGE	
CS(=O)(=O)CC1(CCNC(=O)NN)CC1	710265762	DCTYIQZRZCENKJ-UHFFFAOYSA-N	235.309	-0.626	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)CCNC(N)=O	727489920	BCQLPWLOMWHCIM-UHFFFAOYSA-N	244.295	-0.372	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnn[nH]1)C(C)(F)F	815442341	GOBKOYGOYBYPQL-SCSAIBSYSA-N	247.205	-0.143	50	10	BBGE	
CN1CCC[C@@H](C(=O)NN(C)C2CC2)C1=O	819652993	FAQLBAXXJWGHOT-VIFPVBQESA-N	225.292	-0.020	50	10	BBGE	
C#C[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	854777560	GFMUAGDYVIAIIN-INJWIWPUSA-N	244.254	-0.563	50	10	BBGE	
Cc1nnc(NNC(=O)CCn2cccn2)n1C	856050800	ITLYMAFPUNBOHH-UHFFFAOYSA-N	249.278	-0.147	50	10	BBGE	
CC(C)(F)CNC(=O)c1cccc(B(O)O)c1	869621095	KCBWBLZBYPMGJK-UHFFFAOYSA-N	239.055	-0.156	50	10	BBGE	
C/C(Cl)=C/C(=O)NNC(=O)[C@@H]1COCCO1	900909626	ZVGWITODVBIWRO-NGAMADIESA-N	248.666	-0.308	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@H](O)C(C)(C)O	1136411835	AUYQUQOCXVTOMQ-ZETCQYMHSA-N	247.295	-0.751	50	10	BBGE	
COc1ccc(C(=O)NNc2cnnn2C)cn1	1306847957	GKVZYXVIKSNBPA-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
Cc1n[nH]c(C)c1C=NNC(=O)c1cn(C)nn1	1330648025	DBPOEVUWWAYFMO-UHFFFAOYSA-N	247.262	-0.081	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCOC[C@H]1C	1343782967	LMFXXSHZQFUYKB-SVRRBLITSA-N	200.238	-0.174	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C	1540384211	VZLZOSURIBQQCP-RITPCOANSA-N	229.236	-0.713	50	10	BBGE	
CCN(CCO)NC(=O)c1n[nH]c(C)c1O	1627538004	SACOOZMAMOFOAF-UHFFFAOYSA-N	228.252	-0.617	50	10	BBGE	
C[C@@H](CCl)NC[C@@H]1CCS(=O)(=O)N1	1881865446	INSRKCQBFJWERU-BQBZGAKWSA-N	226.729	-0.105	50	10	BBGE	
C[C@H](CCl)C(=O)NCC[C@H](O)CO	1882383012	GXAVWLDMHQGYRG-RQJHMYQMSA-N	209.673	-0.279	50	10	BBGE	
CN(C)CCC1(C)CN(C(=O)NN)C1	1885398881	UZKGARRXMYQMKF-UHFFFAOYSA-N	200.286	-0.157	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)Cl	1888562275	SDDZLYSENLOYNJ-YFKPBYRVSA-N	228.701	-0.074	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC2(COC(=O)N2)C1	1893451354	MBEPGMIQBWXSEI-RXMQYKEDSA-N	218.640	-0.066	50	10	BBGE	
O=C(O)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1893454365	WIEACHMBIILKGV-HSUXUTPPSA-N	221.640	-0.435	50	10	BBGE	
O=C(O)C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1893454369	WIEACHMBIILKGV-PBXRRBTRSA-N	221.640	-0.435	50	10	BBGE	
COC(=O)c1cc([C@@H](N)[C@@H](O)C#N)cn1C	1894485388	HGGOOUALGIQVJC-DTWKUNHWSA-N	223.232	-0.304	50	10	BBGE	
C=C(CO[C@H]1COCC1(F)F)B(O)O	1895169534	NXRMCIZELDCONG-LURJTMIESA-N	207.969	-0.395	50	10	BBGE	
C[C@H](O)CCCN(C)CC(F)(F)C(=O)NN	1899922535	HOZONOCVBYSDED-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCOC1=O	1900501933	PCJQTFSYRVOPEC-SFYZADRCSA-N	227.264	-0.155	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NNCCO)O1	1900829685	SUGWCNOWZPBTCV-YUMQZZPRSA-N	202.254	-0.443	50	10	BBGE	
CC(C)NC(=O)CN1CC[C@@](C)(B(O)O)C1	1902518143	PNFPQMAYJONVAS-SNVBAGLBSA-N	228.101	-0.550	50	10	BBGE	
C[C@H](O)CN(C1CCCC1)[C@@H](C)C(=O)NN	1902650329	VSEFKBDOZXKPNJ-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]1[C@H](C)O)C(=O)NN	1902716967	YQXVOWPEEVGNBM-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CN1C[C@@H]2C[C@@H](CO)C[C@@H](C2)C1	1902758956	SCPUSYNQOQQMNX-MYJAWHEDSA-N	227.308	-0.683	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917088635	WFVHHDKVQMCXAD-WPRPVWTQSA-N	233.287	-0.593	50	10	BBGE	
CN(C)NC(=O)NC[C@@]1(C(=O)O)CCCO1	1923235953	QNEQRBVHNGKUNQ-SECBINFHSA-N	231.252	-0.604	50	10	BBGE	
CN(NC(=O)[C@H]1CN=CN1)C(=O)OC(C)(C)C	1923408781	UWNGVUIKZYUBNT-SSDOTTSWSA-N	242.279	-0.115	50	10	BBGE	
CC(=O)N1CC(NC(=O)NC(=O)CCCl)C1	1926318176	DLUKIAPXMUCULI-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
COc1cnn(C[C@H]2C[C@H]2C(=O)NN)c1	1927910377	GBMYGHFXCRPXDQ-HTRCEHHLSA-N	210.237	-0.482	50	10	BBGE	
C[C@H](Cl)C(=O)NCCn1cnnn1	1928860482	REDCLQXEPKILLM-YFKPBYRVSA-N	203.633	-0.583	50	10	BBGE	
C[C@]1(O)CON(S(=O)(=O)CCCCl)C1	1930279437	ZIDXAISEOULTFN-SSDOTTSWSA-N	243.712	-0.057	50	10	BBGE	
O=C([C@@H]1CCS1(=O)=O)N1CC(CCl)C1	1930858165	CHIQIGQYWVXNBV-ZETCQYMHSA-N	237.708	-0.129	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(C)CC1C2	1932875855	BITHNCYFCYAGOF-CCNFQMFXSA-N	213.281	-0.524	50	10	BBGE	
CSC1CN(CCCC(=O)NN)C1	1933239146	HFDHKTLMFDZNNB-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1COC[C@H]1O	1933389152	LHUWOFVUDLEVMB-RNFRBKRXSA-N	243.712	-0.848	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@H]1C	1936091204	LPIGAACAMGKFPF-RYPBNFRJSA-N	225.292	-0.273	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H](C)OC	1936531040	DDYWKSCYIDOXJE-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3CCC[C@@H]32)CC1	1938248236	CKUUPGBGSXNNHM-YUMQZZPRSA-N	223.276	-0.233	50	10	BBGE	
C[C@@H](CN1CC[C@H](CO)C1(C)C)C(=O)NN	1938475804	WWVJTZUHEJZYNE-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1OC2(C)CC1(CNC(=O)C(=O)NN)C2	1939694845	XWRLRFZGVYAQOS-STOUBEHRSA-N	227.264	-0.950	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@H](O)CC[C@H]2C1	1940886853	GMEAHKVVIKINAW-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H]2CCC[C@@H]21	1940887343	KPWAFGZCRGOCDL-JGVFFNPUSA-N	249.261	-0.135	50	10	BBGE	
CCCN1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1941088017	OIVLSSQZOQILGJ-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2COCC[C@H]21	1941371946	FWRIWRSWZPSLFF-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCN(C)C[C@H]2C1	1944029891	PYTYLIIEABBJMI-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@]2(C1)CC2(F)F	1950343541	GMZDHROGZUCCLD-MUWHJKNJSA-N	247.245	-0.082	50	10	BBGE	
N[C@H]1CS(=O)(=O)C[C@@H]1Br	1951328757	ZCCPVHYRAIZXCB-IMJSIDKUSA-N	214.084	-0.494	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cn(C)cn1	1958690277	KFQTYQAPRCPBBY-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1958805144	PYGVIVQWLFTYCN-ZTKNNBQKSA-N	233.695	-0.044	50	10	BBGE	
CN(CC(=O)NN)C[C@H](O)C1CCCC1	1960663508	RVYVLCPUZWVXJA-VIFPVBQESA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CCN1CCC(=O)NN	1961683254	GSPXCWJFQMZTDE-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@]1(C)CCC(=O)NC1=O	1961732130	GJGZFEAKLGJCDS-ANLVUFKYSA-N	232.667	-0.075	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@]1(C)CCC(=O)NC1=O	1961732131	GJGZFEAKLGJCDS-CDUCUWFYSA-N	232.667	-0.075	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1964511076	VEKFKUIQCNWAJT-IUCAKERBSA-N	226.085	-0.844	50	10	BBGE	
CCN(CCCCO)CC1(C(=O)NN)CC1	1976239152	FYTIRGCSCJKYOM-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](N(C)C)CC1(C)C	1977319950	ROUYIQYBTSVNCD-RKDXNWHRSA-N	228.340	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C[S@](C)=O)C1	1979480018	MKYLWPXFWKKWTQ-UFIJUMAVSA-N	247.364	-0.689	50	10	BBGE	
OB(O)c1csc(N2CC[C@]3(CCO3)C2)n1	1981468630	FYHIXNCVVGHXNK-VIFPVBQESA-N	240.093	-0.808	50	10	BBGE	
Cc1nc(N2CC3CC2C3)ccc1B(O)O	1981468750	HXRXDNAMCVOTMT-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
Cc1nc(N(C)CCCF)ccc1B(O)O	1981473290	XZDRXHAVAINLPS-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC[C@H](O)C1	1983950069	XCTGNGFKXLBRKI-RBXMUDONSA-N	225.244	-0.184	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C[C@@H](O)CO)CC1	1983999480	XOSFUGABOYKEBJ-NXEZZACHSA-N	247.726	-0.912	50	10	BBGE	
CCN(CCOC)CCC(F)(F)C(=O)NN	1984130437	SOZQVDMSILOYSF-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	1985953219	WVSHFEJVWOMZRF-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
CO[C@@H](C)COCc1ccccc1B(O)O	1986050831	JTJYLADDDLWZFE-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
CN(C)[C@H]1C[C@H](OC[C@H]2C[C@@H]2C(=O)NN)C1	1986221506	PKNHZBMOFUCBGU-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccon1	1991339016	UKKZBOAVHNBYRH-SSDOTTSWSA-N	222.009	-0.495	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)C=CC(=O)Cl)[C@H]1O	1992725539	DXBNTWYEAHVPIG-HZGVNTEJSA-N	247.678	-0.038	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)CCOCC(=O)NN)CO1	1996343577	XLFZXLRVFDHPRA-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1ccc(C(=O)NN)cn1	1996573383	ASHITFWJMQVTMA-ZETCQYMHSA-N	234.259	-0.194	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC([C@@H](F)CO)C1	2001910922	NJYFUEFZHPKGRL-DTWKUNHWSA-N	247.314	-0.347	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1ncccc1B(O)O	2004930907	YELKCRBJNIAJFL-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
COC[C@@H](C)N(C)c1ncc(F)cc1B(O)O	2014925660	DFLAAHBHCQJDBR-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CCCOC1	2020060687	CKDFEUDTCCERCP-WCBMZHEXSA-N	239.080	-0.370	50	10	BBGE	
COCCCNC(=O)N[C@H]1CCC=C1B(O)O	2020062379	QLWGZWFDAGYQTM-VIFPVBQESA-N	242.084	-0.577	50	10	BBGE	
NNC(=O)c1cccc(CN2CC=C[C@@H](O)C2)n1	2046611213	LEBANWFOYSSSRF-SNVBAGLBSA-N	248.286	-0.582	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]2C[C@H]2C1	2052473252	VFRXFRGSJPLHRB-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C)[C@H](C)C2)c1B(O)O	2052554342	SRGIGSYITSZLSV-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1cnc2c(N3CCCC3)ccnc2c1	2052621966	NUWYKYODOQECBR-UHFFFAOYSA-N	243.075	-0.090	50	10	BBGE	
Cc1nc(N(C)[C@H]2CCN(C)C2)ccc1B(O)O	2052623728	AOQJZUAYCXEMOD-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCOc1cc(B(O)O)c([N+](=O)[O-])cc1OC	2060015706	HRIGEUJSLGCRQK-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2[C@@H]3COC[C@@H]23)c1	2068627119	FGWLEBWOZQSQMS-NXEZZACHSA-N	248.087	-0.054	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1cscc1B(O)O	2211140897	QIBUBWVUSZXAHX-XCBNKYQSSA-N	242.105	-0.021	50	10	BBGE	
NCCOCCSC[C@H]1CC[C@@H]1C(=O)NN	2211838848	MJWNNTKWWGPORM-BDAKNGLRSA-N	247.364	-0.289	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)CSC1=O	2211839002	OLVNYTPFRXKFSF-RITPCOANSA-N	243.288	-0.302	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccc(=O)cc1	2211839705	YBCXZMJLQHGNTC-SCZZXKLOSA-N	221.260	-0.136	50	10	BBGE	
C[C@H](CN1C[C@@H](N(C)C)C(C)(C)C1)C(=O)NN	2215133553	OIBWJPSIZHUBHZ-NXEZZACHSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC=C[C@@H]1CO	2215770463	BUPHOQFEUFSRHN-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCCNC1	2217167085	LSULQJMMKGMHJX-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
CCN(C[C@H](C)OC)c1cc(B(O)O)ccn1	2217171299	AFDKKZIEKIXOQN-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
N#CC1CCN(c2ccc(B(O)O)cn2)CC1	2217172206	IBCOVRCCPSGOMA-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
COC[C@H](C)[C@H](C)Nc1ccc(B(O)O)cn1	2217177903	OXDKIOPKBSIHHC-IUCAKERBSA-N	238.096	-0.156	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217179095	GGHJNWAGHVHFRC-RKDXNWHRSA-N	238.096	-0.095	50	10	BBGE	
N[C@H]1CCC[C@H]1COc1cc(B(O)O)ccn1	2217189154	YXMGWESBFVDTNI-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
CNC[C@H](C)COc1nccc(B(O)O)c1F	2217191999	GMBCKLKPBGFQPT-ZETCQYMHSA-N	242.059	-0.865	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)C[C@H]1F	2217204454	JZSUPYXCGMYEHJ-PSASIEDQSA-N	238.071	-0.054	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCNC1	2220054340	SCJKDXTYPZDBQF-GFCCVEGCSA-N	248.135	-0.592	50	10	BBGE	
CCc1nc(CNc2ncccc2B(O)O)n[nH]1	2223643817	AVFVOGCSPRWPEH-UHFFFAOYSA-N	247.067	-0.946	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CNCC23CC3)nc1	2223661757	QWUQUSMHCAGFQY-SECBINFHSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNC[C@@H]2C2CC2)c1	2223662418	OTNXLNPKVAKZTG-MNOVXSKESA-N	248.091	-0.862	50	10	BBGE	
CNC(=O)c1c(Cl)cccc1B(O)O	2241481335	RDKVLGPYHCWZGM-UHFFFAOYSA-N	213.429	-0.621	50	10	BBGE	
CCCN(CCC(=O)NN)C[C@@H](C)O	2242086263	BIIFOEOHYZUXOX-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
O=C(NNCCO)c1cnnc(Cl)c1	2242225978	RTCSNNPPRMQEPF-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
CCC[C@H](C)NC(=O)c1nscc1B(O)O	2243348478	YFWAHYSIHMLEJI-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
Cc1ccc(N)cc1NC(=O)C#CB(O)O	2243349488	MGKMMPXMWHOCKM-UHFFFAOYSA-N	218.021	-0.469	50	10	BBGE	
CC(C)[C@@H]1CC[C@H](NC(=O)C#CB(O)O)C1	2243356507	IOJIGHHGGSDKIW-ZJUUUORDSA-N	223.081	-0.057	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccc(B(O)O)s1	2243361991	KIINFWHAGAZHBH-UHFFFAOYSA-N	245.084	-0.094	50	10	BBGE	
CNC[C@H](C)CNC(=O)C1(B(O)O)CCC1	2243363022	ACUMLKKGPXGIBO-QMMMGPOBSA-N	228.101	-0.645	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)CF)c(B(O)O)s1	2243378013	LEJOLKKSIMIXAK-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
NC1CC(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243381142	CMYLZLMGTRDLAL-PAVDCMTPSA-N	226.085	-0.907	50	10	BBGE	
C[C@H]1C[C@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381800	IXAXFHDBGDKGLT-MAUMQABQSA-N	226.085	-0.813	50	10	BBGE	
CC[C@H](O)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2243396132	IATDJXFTPVCSDW-XHNCKOQMSA-N	229.085	-0.483	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cc(B(O)O)cs1	2244144674	RTQIVHLHMSHIEW-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)C1(B(O)O)CCC1	2247734519	HVDBJJBTBGBLMW-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)c1cnn[nH]1	2247735253	XYKXWDDLMPTIHK-LURJTMIESA-N	238.056	-0.621	50	10	BBGE	
CC(C)(C)[C@@H]1CN(C(=O)C#CB(O)O)CCO1	2247743647	HABXVDVKSDZJDT-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)(C)C	2247746633	BKMGPGASGCQJRB-UHFFFAOYSA-N	238.096	-0.045	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)C1(B(O)O)CC1	2247754462	DNEJVNDPLFFAGR-HLTSFMKQSA-N	239.080	-0.323	50	10	BBGE	
CC1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2247759889	YEGMCAWLDSXNBK-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247804508	GZXKISPCURBJQE-SEZDTBSWSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805637	KMPCCLXRTIFHRK-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2247810202	VOZLZVOUJRFZGB-KYZUINATSA-N	240.112	-0.515	50	10	BBGE	
COC1(OC)CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247860018	QSBPVDZUXAYCNT-RNJXMRFFSA-N	243.068	-0.883	50	10	BBGE	
CCC1(F)CN(C(=O)c2coc(B(O)O)c2)C1	2247867493	GOHRHMXSHGMGTP-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H](C)CF	2247868521	VAYWJSPLXQXADE-SSDOTTSWSA-N	239.055	-0.237	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1CCCC1	2247869222	OCCIUVQRQYUUMJ-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1coc(B(O)O)c1	2247872345	QVFPSQWCGVJTRE-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
O=C(NCC(F)F)c1c(F)cccc1B(O)O	2247875063	SFHSFHZSAVAHDI-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
CN(Cc1ncno1)C(=O)C1(B(O)O)CCC1	2247879437	VHNSZARRTMCSKA-UHFFFAOYSA-N	239.040	-0.575	50	10	BBGE	
CN(Cc1ccn(C)n1)C(=O)[C@H]1C[C@@H]1B(O)O	2247894994	MZKCUUKEFXKBDR-IUCAKERBSA-N	237.068	-0.759	50	10	BBGE	
Cc1oncc1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895780	VIOMOKMYAGTNQN-BDAKNGLRSA-N	238.052	-0.495	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247903808	NBKURVNCJQBVDN-AOOOYVTPSA-N	234.064	-0.078	50	10	BBGE	
CC(C)[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2248587435	PJKAEUXCYLGMGD-BWZBUEFSSA-N	243.068	-0.583	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1cocc1B(O)O	2249416449	RRNLNWLHJYONSB-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCCC1CCC1)c1cc(B(O)O)co1	2249429496	VUTBMHMOHJMNKR-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C=CC[C@]1(CO)CCCN(C(=O)C(=O)NN)C1	2250396664	FKGZEIQRBLMAIX-NSHDSACASA-N	241.291	-0.847	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C(C)(C)C	2255455600	BWRRTHZTDZLHRO-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
Cc1ccn(NC(=O)c2ncccc2B(O)O)c1	2255521232	UFLMFAFZNGHGDW-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
C[C@]1(CNC(=O)c2n[nH]cc2B(O)O)C=CCC1	2255554758	QPEYIAVJFPDLJL-NSHDSACASA-N	249.079	-0.824	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1c[nH]nc1B(O)O	2255682613	JSNFASJWLXOFLW-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C#CCCN(CC)C(=O)c1cc(B(O)O)oc1C	2255690729	GJVQJZWZHCGLCH-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
Cc1cc2n(n1)CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2255769579	LKSCPRQZZHDBNV-ZJUUUORDSA-N	249.079	-0.603	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC=C[C@H]1C2	2258132777	CVLQOJYLNVJMBY-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)OC1	2298371629	QHBIXKPNOPLCDV-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@H](C1)C2(F)F	2298375692	VZEAKQXKILQCFJ-YWIQKCBGSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2298463366	ZOXRUYSQNIHLST-UOLFYFMNSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]1C[C@@H]2O	2300201830	SXLYMARPEXSLLC-NZFPMDFQSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)CCOC[C@H]1COC2(CCC2)CO1	2301334655	ZIJMJQGSDIOSLX-VIFPVBQESA-N	244.291	-0.279	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@](C)(B(O)O)C2)CCOC1	2303112076	PHNARPXCDXQTMD-QWRGUYRKSA-N	241.096	-0.122	50	10	BBGE	
NCC1CC(Nc2cc(B(O)O)c(F)cn2)C1	2303835265	UCPDQGHGNIQFCN-UHFFFAOYSA-N	239.059	-0.950	50	10	BBGE	
CC1(C)[C@@H](N)CCN1C(=O)C1(B(O)O)CCC1	2307318446	RSRNISUWHMQGLQ-QMMMGPOBSA-N	240.112	-0.278	50	10	BBGE	
C#CCC(=O)Nc1ccc(C)c(B(O)O)c1F	2307568836	DOMMETFZDWQWHQ-UHFFFAOYSA-N	235.023	-0.224	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	2312517062	PYVGVPQPAWVSNK-FLBSBUHZSA-N	249.314	-0.131	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cocc1B(O)O	2313083366	KKXOCRRUYSRXJU-VAOFZXAKSA-N	247.059	-0.346	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC1CC(O)C1	2317165323	JPYLCZHUGPVCTJ-UHFFFAOYSA-N	246.075	-0.579	50	10	BBGE	
C[C@H]1CNC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317311890	XLCQXUCMSJBOKD-QPUJVOFHSA-N	248.091	-0.801	50	10	BBGE	
CN(CC1COC1)c1ccc(C=O)c(B(O)O)c1	2317352366	YGRVLHBTLMKLFX-UHFFFAOYSA-N	249.075	-0.739	50	10	BBGE	
CCC#CC(=O)NCc1ccc(B(O)O)c(C)c1	2319241742	YELKSSZVOYHJNL-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@H](N=C=O)C1	20258005	JJHMXWAKSQMIGO-QMMMGPOBSA-N	233.293	-0.407	50	10	BBGE	
COCCCNC(=O)CNC(=O)[C@@H](C)Cl	41696562	JXJQVLYAHITDGL-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
C[C@H](CNCc1cccnc1)C(=O)NN	58853232	QMXQQEHWEQAVOY-MRVPVSSYSA-N	208.265	-0.203	50	10	BBGE	
NNC(=O)CCCCCN1CCC[C@@H](O)C1	70596900	ZDJCPYJMBDKFLL-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
C=C[C@H](CCl)NC(=O)n1nc(C)n(N)c1=O	82309885	IVNSKGWQWUXYEW-ZCFIWIBFSA-N	245.670	-0.582	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCc1ccccn1	82466670	ZJBPWVMUPYUJQD-SECBINFHSA-N	222.292	-0.066	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468770	SRIIKHAHTIATKE-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
Cn1cc(OC[C@H](O)CO)c(=O)cc1CCl	108236704	HYFYLWRBHXNSII-MRVPVSSYSA-N	247.678	-0.144	50	10	BBGE	
C[C@H](CCN(C)C)N1CC(=O)OC(=O)C1	111218211	NJUZVBHXEAVGCL-MRVPVSSYSA-N	214.265	-0.288	50	10	BBGE	
N#Cc1cc(B(O)O)cc(Br)n1	206085751	GTGLZPTUZDMNBP-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](N(C)C)C1	211961993	OVPRGPKXQJOSED-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	212012462	HMQFLGCIFZHCBY-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
C[C@@H](N)C(=O)N[C@H](CCl)P(=O)(O)O	225880461	MZXKEICQABDUOP-DMTCNVIQSA-N	230.588	-0.808	50	10	BBGE	
CCN([C@@H](C)CN(C)C)[C@@H](C)C(=O)NN	232268007	SMOUWZHRVHKLSB-IUCAKERBSA-N	216.329	-0.363	50	10	BBGE	
C[C@@H](C[S@@](C)=O)NS(=O)(=O)CCCl	232301403	VZENUENYWWWTLR-PWCHPLFNSA-N	247.769	-0.088	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC[C@H](C(N)=O)C1	235165324	IIIREOHXGGJQQB-RITPCOANSA-N	247.682	-0.343	50	10	BBGE	
Cn1cc(COc2ccc(B(O)O)cc2)nn1	236095143	HOPUOBSIMXGPHN-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
O=C=NC(=O)[C@H]1CCCCS1(=O)=O	236413371	GOFHGUGEUZXZQW-ZCFIWIBFSA-N	203.219	-0.184	50	10	BBGE	
Cc1nc(N)c(C(=O)NN(C)C)nc1C	238337430	IEAWYGUASDEMAW-UHFFFAOYSA-N	209.253	-0.118	50	10	BBGE	
C[C@H](SC[C@@H](O)CO)[C@H](C)C(=O)NN	251024841	FFAFLHMBJVIAKA-ACZMJKKPSA-N	222.310	-0.913	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251222987	NJWXCFXCEBNLEM-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
Nc1nonc1CC(=O)NN=Cc1ccccn1	254483833	SFYBMRPVWAGYFX-UHFFFAOYSA-N	246.230	-0.260	50	10	BBGE	
OB(O)c1ccc(F)c(C2OCCO2)c1F	306490757	NPEREHXTLXZIHM-UHFFFAOYSA-N	229.975	-0.310	50	10	BBGE	
C[C@@](O)([C@H](O)CCl)[C@@H](O)CCl	307655224	NWWSZHSWWCHNLS-FPFOFBBKSA-N	203.065	-0.063	50	10	BBGE	
COC1(C)CCN([C@H](C)C(=O)NN)CC1	380109443	RNTDPGBFHNMYNN-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H](O)C2CC2)[nH]1	380971309	ANYASEVZWROHKW-ZCFIWIBFSA-N	243.698	-0.372	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(CCC(=O)NN)C1	398862902	WVONEFUQJPZJBP-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
Cn1cc(C(=O)Nc2cccc(B(O)O)c2)cn1	404958558	IMDVLZVDQCSAIQ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	405010840	WOELFYHKSWEOSJ-RNFRBKRXSA-N	220.037	-0.644	50	10	BBGE	
CNC(=O)Nc1cc(B(O)O)ccc1OC	405069581	AOUUGXSTBRBVAC-UHFFFAOYSA-N	224.025	-0.874	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(N)=O)[C@@H](C)O1	686472812	UCIWAOITWPSFFA-PBXRRBTRSA-N	201.226	-0.501	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)C(C)(C)CO	690901321	FUSKWVKLKZXOCK-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
OB(O)c1cnn(CCn2cc(Cl)cn2)c1	694515051	PBJZCRKEOYRNEB-UHFFFAOYSA-N	240.459	-0.887	50	10	BBGE	
Cc1nn(Cc2cccc(C(=O)NN)c2)c(=O)o1	694824572	MOOGGWMARMJTAN-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
COCCN(CCO)[C@@H](CC(C)C)C(=O)NN	695063212	SWWFOGGUJCDJEX-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](O)C1	695069891	NFPZMMSZYJNAFI-BDAKNGLRSA-N	215.297	-0.542	50	10	BBGE	
Cc1c(N2CC(=O)OC(=O)C2)nnn1C	701784390	VGBVKOVQAKRHSR-UHFFFAOYSA-N	210.193	-0.987	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=O)C1CCC1	705965714	DSICSAKIJAMRDL-LURJTMIESA-N	201.226	-0.499	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCCC[C@@H]21	706760031	PGTRIJYGFABNIX-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC2(CC1)CC2	706953399	VAKJGGAXODDLRN-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ncnn1C	707411227	MDSDECOATYIJEQ-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC12CCOCC2	707413607	KHKJFHKVRILJPG-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@H](C)C(=O)NN	709378394	QROGKXWOOLARIV-NKWVEPMBSA-N	201.270	-0.790	50	10	BBGE	
C#CC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	709388934	CLQDDOSYRIQBBR-SECBINFHSA-N	221.260	-0.786	50	10	BBGE	
COCCOCc1cnc(C(=O)NN)s1	711287722	ONXVMZNQFSNIHZ-UHFFFAOYSA-N	231.277	-0.090	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(B(O)O)c(F)c1	713941917	PMQMBNQDZHTGLN-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
C[C@H](CN1C[C@H](F)[C@@H](F)C1)C(=O)NN	714559274	TZTWDLJTQMMMAN-VQVTYTSYSA-N	207.224	-0.396	50	10	BBGE	
C[C@@H]1OCCC1=NNC(=O)[C@H]1COCCO1	747765226	XLEPSGINGFMBJI-IONNQARKSA-N	228.248	-0.317	50	10	BBGE	
CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCCO1	821454474	JGABVHRRSYMGGR-JGVFFNPUSA-N	245.279	-0.469	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2cnccn2)CO1	860936697	JQDWDCZVHHETRJ-YFKPBYRVSA-N	223.192	-0.972	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)ccc1F	1138475073	OOOQCNOQRHMACZ-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
O=C(CCO)NN=Cc1cn(C2CCC2)nn1	1330648377	GTDLXYWLDHLVSY-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
COCC(=O)NN=Cc1nc(CO)cs1	1334887681	YVFLFWBCQCBUCU-UHFFFAOYSA-N	229.261	-0.268	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C=O)n(C)c1	1463826415	AGLVOLHNHKXGSO-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1CCNC(=O)CC1	1587203154	DEIJFYZDFRSKAI-QMMMGPOBSA-N	241.291	-0.294	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C/[C@H]1CCOC1	1597672213	QHLGAWPQSVXYLD-RTMURIBGSA-N	227.264	-0.071	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	1631398756	LSBKUVLRNDZQPK-PRJMDXOYSA-N	227.264	-0.144	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)[C@H]1CCC(=O)N1	1641312104	AJEKKPFXZFOLKW-TUUFMJSCSA-N	237.259	-0.455	50	10	BBGE	
O=CNNS(=O)(=O)c1ccc2c(c1)OCO2	1858080919	WXGIDQGHSHLRHC-UHFFFAOYSA-N	244.228	-0.645	50	10	BBGE	
N[C@@H]1CC[C@@H]1NC(=O)C=CC(=O)Cl	1883624204	OPGYVTCBZWBGLT-RITPCOANSA-N	202.641	-0.086	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@H](O)C[C@H]1CO	1886211592	LJGHCYLQCLMHCR-GJMOJQLCSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](COC[C@@H](C)N(C)C)C(=O)NN	1888721590	PYZCLNUCKGONNI-HTQZYQBOSA-N	203.286	-0.421	50	10	BBGE	
COC[C@H](C)N1CC[C@](C)(B(O)O)C1	1891492908	QLQSQGBIKXUPIW-IUCAKERBSA-N	201.075	-0.040	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CNC(=O)C1	1893410005	DNFDILPOAHANTK-RXMQYKEDSA-N	216.624	-0.687	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCOCCO	1893496998	ANWAUFKEHSXHDV-OWOJBTEDSA-N	221.640	-0.567	50	10	BBGE	
NNC(=O)COCCn1cc(F)cn1	1894901919	RAWNPRBNZRAXEH-UHFFFAOYSA-N	202.189	-0.971	50	10	BBGE	
C=C(COC[C@@H](CC)N(C)C)B(O)O	1895097533	RGLZMLCTSMJOEC-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](O)C[C@H]1C(=O)O	1895541344	LGFBCDGEUXFXGW-RQJHMYQMSA-N	231.252	-0.918	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2COCC[C@@H]21	1896897836	YIZPHHVKDJDYNX-RQJHMYQMSA-N	235.234	-0.668	50	10	BBGE	
COC[C@H](C)C(=O)N1CC[C@](C)(B(O)O)C1	1902518009	NWWPLCYCTZNQBC-WPRPVWTQSA-N	229.085	-0.266	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)C(F)F	1903022627	DKSHNFDPTJSEGA-SCSAIBSYSA-N	234.970	-0.067	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1908493024	AQYPXWOPHCQVHU-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2C[C@@H]2F)n1	1908965090	LMUGRDBRSTVZSC-CBAPKCEASA-N	239.059	-0.741	50	10	BBGE	
CC[S@@](C)(=O)=NCc1ccccc1B(O)O	1913884030	KGKLOGIOEYCJSP-MRXNPFEDSA-N	241.121	-0.016	50	10	BBGE	
CC=C[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923425064	QGRLIODQLJVOKQ-SCSAIBSYSA-N	226.154	-0.367	50	10	BBGE	
O=C(NNCCO)[C@H]1CCC[C@H]1C(=O)O	1929838589	PZKACJJKUTXTER-NKWVEPMBSA-N	216.237	-0.900	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1931413480	RKDVUPKFUKBHGZ-JQCXWYLXSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1936093603	FZBKQRQLHYDFJY-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
COc1ccc(B(O)O)cc1CN(C)OC	1937141143	ORCUNMMTUOMJJL-UHFFFAOYSA-N	225.053	-0.632	50	10	BBGE	
CCn1nnnc1CN[C@H]1CN(C)C[C@@H]1Cl	1937191355	SWFBAXWHYMMQSG-YUMQZZPRSA-N	244.730	-0.296	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)C(=O)NN)CC1	1938621363	PXEZLDULHDTIBP-JTQLQIEISA-N	229.280	-0.606	50	10	BBGE	
Cc1nn(C)c(C)c1OCCOCC(=O)NN	1941773096	SCTRTHRDYIPBGL-UHFFFAOYSA-N	242.279	-0.578	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNCCO	1944216346	UYLNHIRUUWLDTK-RBXMUDONSA-N	240.259	-0.878	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1946082865	CYRDQFOWWNPKEZ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC2(CCC2)C1	1946408765	NLCNBCYQEUGMPZ-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@@H]2C(=O)NN)CCC1	1947185915	KMCMUXOWLOQQBV-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955233743	UFDYFXZFPYGTCX-YWIQKCBGSA-N	219.668	-0.168	50	10	BBGE	
O=C(Nc1cncnc1)c1cccc(B(O)O)c1	1969430021	DTCJBSIYPNDEJH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)N[S@](=O)C1CCCC1	1976994348	HXKRGRUBWYQOCU-VGDKGRGNSA-N	249.097	-0.892	50	10	BBGE	
CCC[C@H](C(=O)NN)N(OC)[C@H]1CCOC1	1978748728	AXDKBIYYSFHOMA-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
CN(C[C@H]1CC2(CC2)CO1)C(=O)C(=O)NN	1979379804	NXPOFWZCOWIBAH-SSDOTTSWSA-N	227.264	-0.996	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1CCNCCn1cnnn1	1979873815	BEBUXUYMBSUORV-DTWKUNHWSA-N	245.714	-0.093	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	1980225646	ACQSLBGKLAYCBA-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CC[C@H]21	1981417258	YQKLTBVZUMEPFW-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCO2)nc1	1981429459	DTCQZCDEFQDHCI-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
CC(F)(F)CCn1cccc(B(O)O)c1=O	1984106668	GYWCGQPWLCAMDQ-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)N2CCOC[C@@H]2C1	1986928922	DBLFEZOAIRJLPJ-YUMQZZPRSA-N	246.694	-0.317	50	10	BBGE	
NCCCSC[C@H]1CCC[C@H](C(=O)NN)O1	1990163691	AVRFDYJRURTAAA-RKDXNWHRSA-N	247.364	-0.004	50	10	BBGE	
NC[C@@H]1C[C@H](CNC(=O)C=CC(=O)Cl)CO1	1991649252	ZGHJLRURPDIZET-SFYZADRCSA-N	246.694	-0.212	50	10	BBGE	
C[C@@H](O)CN(C[C@@H](C)O)C(=O)C=CC(=O)Cl	1991649449	BZXZDXPSTWJCBN-HTQZYQBOSA-N	249.694	-0.102	50	10	BBGE	
NC(=O)N1CCN(C(=O)C=CC(=O)Cl)CC1	1991651581	JGISIIGMBMPWKH-UHFFFAOYSA-N	245.666	-0.469	50	10	BBGE	
C=C(CN1CCO[C@]2(CCOC2)C1)B(O)O	1992144534	CCKZXTDBDHUQIL-SNVBAGLBSA-N	227.069	-0.954	50	10	BBGE	
C=C(CN1CCC[C@@]12CC[S@@](=O)C2)B(O)O	1992152272	CHEZVHUJHSDGFH-MGPLVRAMSA-N	243.137	-0.458	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3C[C@@H]32)nc1	1995201683	YJLNJDREQBSHSP-UJNFCWOMSA-N	219.049	-0.061	50	10	BBGE	
Cc1nc([C@H]2CCN2[C@H](C)CC(=O)NN)no1	1997764175	GEZWDESKFIVGOB-HTRCEHHLSA-N	239.279	-0.107	50	10	BBGE	
CN1CC[C@H]2[C@H](CCN2CCCC(=O)NN)C1	2004171637	SUKLKVIHHKGCEW-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@H](N(C)c1ncncc1B(O)O)C(F)(F)F	2004915828	DMRDPVLXOJQWTN-YFKPBYRVSA-N	249.001	-0.457	50	10	BBGE	
CN(Cc1ccns1)c1ncccc1B(O)O	2004934244	CSCYGBCSVXQZLB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2CCO[C@H]2C1	2008869599	CTQQLIKAMPJVGZ-YUMQZZPRSA-N	249.261	-0.278	50	10	BBGE	
CCOCCOC(=O)N[C@H]1CCC=C1B(O)O	2020062446	QYDGOLMICPJOTG-VIFPVBQESA-N	243.068	-0.150	50	10	BBGE	
C=C(Cn1ncc(N(C)CC)cc1=O)B(O)O	2021158355	ANTKKUVCNGGHCZ-UHFFFAOYSA-N	237.068	-0.732	50	10	BBGE	
OB(O)c1ccc(CN2CCOCCO2)cc1	2021409205	PEIIGBGOXYAXGI-UHFFFAOYSA-N	237.064	-0.870	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	2022543918	KIHKPOOLWLWEEF-MWLCHTKSSA-N	235.092	-0.180	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOc2ncccc21	2051510408	BEYHLYGHCYHIJX-RKDXNWHRSA-N	248.286	-0.094	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC2(CCO2)C1	2051855806	HXYNGTBIPKRFMX-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
CN(C[C@@]12CCC[C@@H]1C2)c1ncncc1B(O)O	2052467971	XKSFZVQGAJVLOV-SKDRFNHKSA-N	247.107	-0.217	50	10	BBGE	
CN(Cc1ccnn1C)c1ncccc1B(O)O	2052498736	JDEQCSYNCIBFPO-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
COc1nc(N2CC[C@@H]3C[C@@H]3C2)ncc1B(O)O	2052623345	IHJMUFKNJAZLBP-HTQZYQBOSA-N	249.079	-0.989	50	10	BBGE	
O=C1CN(CC(=O)NNC(=O)c2ccccc2)C1	2052746135	GKFAKFVGXSHMKW-UHFFFAOYSA-N	247.254	-0.668	50	10	BBGE	
CN(C)C=C(C#N)[C@](O)(NN)C(F)(F)F	2053535968	LYYDRFAHKXBQKD-ZCFIWIBFSA-N	224.186	-0.330	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1Cc2ccc(B(O)O)cc2C1	2055633855	WBGBKCBKOBENBF-QWRGUYRKSA-N	249.050	-0.433	50	10	BBGE	
N#Cc1cc(B(O)O)cc(Cl)c1[N+](=O)[O-]	2060110282	NWBGSLCQTLWMCP-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
O=C(NCc1ncco1)c1ccc(B(O)O)cc1	2079009936	VLMDPARVWDBMLP-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(N[C@@H]1CCCOC1)c1ccccc1B(O)O	2079010515	PKEVWQDXGBXYCY-SECBINFHSA-N	249.075	-0.725	50	10	BBGE	
Cc1cc(CN(C)C[C@@H]2C[C@H]2C(=O)NN)ncn1	2085655341	VYHREMJZGGCNEX-GXSJLCMTSA-N	249.318	-0.157	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212287972	XLEMJFOOXOCQGX-BRPSZJMVSA-N	219.049	-0.061	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2CCC[C@H]21	2212603719	QMPPEDIOEJHLCU-DIYOJNKTSA-N	218.065	-0.028	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C(C)(C)N	2212615759	UHVQSWSNRLRIFR-SSDOTTSWSA-N	223.085	-0.701	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@H]3C[C@@H]2C3)nc1	2216291933	PSHVYCBOUSFXAR-YIZRAAEISA-N	234.064	-0.419	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)c1ncccc1B(O)O	2217171292	AERBBCPFQCOKFL-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C#N)C2)cc1B(O)O	2217181748	UPUUHFBMINJCEV-VIFPVBQESA-N	231.064	-0.580	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)[C@H]1CCNC1	2217183613	MBJWUCAPYVTLCI-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@@H](N)C2)cc1B(O)O	2217185298	VCUKFFNEVQPGLI-DTORHVGOSA-N	235.096	-0.781	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3COC[C@H]3C2)c1	2223630028	XRGRAGFDYSDEAZ-VHSXEESVSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@H]3CC[C@@H]32)c1	2223635562	YPBUDWOILDCEOV-DCAQKATOSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(NCc2cccnc2O)c1	2223638598	XRBZXYJRSIRUON-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
Cc1cnc(N2CCC=C[C@H]2CO)cc1B(O)O	2223639807	GYPQESRMRKXEPZ-JTQLQIEISA-N	248.091	-0.803	50	10	BBGE	
OB(O)c1cccnc1NC1([C@H]2CCCO2)CC1	2223648540	MNOHYJSJESSUKV-SNVBAGLBSA-N	248.091	-0.115	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2c1ncccc1B(O)O	2223665313	FKFMTZNMKLJLHF-XRNSZHNASA-N	248.091	-0.889	50	10	BBGE	
Cc1nccnc1CNc1ccc(B(O)O)cn1	2223676640	DIVHDRRWQPXPSD-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
C[C@H]1[C@@H](O)CN1S(=O)(=O)N1CC(Cl)C1	2241348114	MEXIFXSFQGHEIG-FSPLSTOPSA-N	240.712	-0.781	50	10	BBGE	
C[C@@H](O)CNS(=O)(=O)N1CC(Cl)C1	2241353646	KGHUCWMTLVHQJC-RXMQYKEDSA-N	228.701	-0.875	50	10	BBGE	
N#CN1CCc2sc(B(O)O)cc2C1	2241555940	ROQCIIGRLCTCFP-UHFFFAOYSA-N	208.051	-0.733	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)CF	2241714848	GNPLBCTZIDBBGY-NKWVEPMBSA-N	207.249	-0.719	50	10	BBGE	
CCC[C@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2243362319	PHVJGFDLWHIKAK-VHSXEESVSA-N	223.081	-0.104	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)NC(=O)C1(B(O)O)CC1	2243364223	SXEONWMVJJUCTH-VXNVDRBHSA-N	227.069	-0.323	50	10	BBGE	
CC1(CN)CN(C(=O)C2(B(O)O)CCC2)C1	2243365505	NMZBLBBWRQHADL-UHFFFAOYSA-N	226.085	-0.809	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)sc1C	2243378344	RJVSJXDSNAQBJU-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
C[C@@H](CCO)CCNC(=O)C1(B(O)O)CC1	2243410624	FJFOFMAVURKPGC-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
O=C(NC[C@H]1CCOC1)C1CC(B(O)O)C1	2243413386	FMEUALQXVZLEIS-AFPNSQJFSA-N	227.069	-0.608	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC(O)C1	2243414348	YXVDMLHGXAEWQC-QPIHLSAKSA-N	227.069	-0.779	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]2C1(C)C	2243839117	ADIJHBAIDZWVMX-RKDXNWHRSA-N	225.292	-0.116	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cocc1B(O)O	2244217929	UNJWCAIBDQVVFV-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cocc1B(O)O	2244218812	AJTUTAJMIAKBAI-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)co2)C1	2244220546	DFPGCXKQWIURPU-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
O=C(Nc1ccccn1)c1cc(B(O)O)c[nH]1	2247743879	KWQPZOOXDWJFQP-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1cc(B(O)O)c[nH]1	2247744510	UFYCPEAUKPOAQR-VIFPVBQESA-N	234.064	-0.467	50	10	BBGE	
CCOC(=O)CN(CC)C(=O)C1(B(O)O)CC1	2247758456	VMQBVEADQFDUBB-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786999	JRQOVVVOIZOKDF-UYXSQOIJSA-N	240.112	-0.519	50	10	BBGE	
Cc1cc(C(=O)N2CC=CCC2)oc1B(O)O	2247789536	XQCHAIWPNHLYQH-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
CO[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796661	BSZKZKUEKMFCMZ-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)O1	2247807108	PYIQKFIEQLHQTM-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C(C)(C)CN1	2247809225	YIQCJVYVKRZIIH-IWSPIJDZSA-N	240.112	-0.552	50	10	BBGE	
O=C(NCCc1cccnc1)[C@@H]1C[C@H]1B(O)O	2247896274	GBPCXNRWIADUCF-NXEZZACHSA-N	234.064	-0.397	50	10	BBGE	
Cc1cc(O[C@@H]2C=CCOC2)ncc1B(O)O	2249282299	USKBUSMNKFIHHK-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2cocc2B(O)O)C1	2249409496	KBWUHLUFVRZMHL-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@@H](C)O)C(C)(C)C	2250602393	UPMWZBYLPNZKTJ-BDAKNGLRSA-N	247.339	-0.527	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CNCC1(C)C	2251543226	RAKJJFYZFROAQW-VGMNWLOBSA-N	240.112	-0.694	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@@H]1[C@H]2COC[C@H]21	2254022501	YVKRBRRPOMAEPE-URLYPYJESA-N	249.075	-0.659	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CC[C@H]2C1	2255473782	NXIBLPCEOHSVLL-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@H]3CC[C@H]23)c1	2255513536	SZBANVCYPKBTKD-IUCAKERBSA-N	245.087	-0.187	50	10	BBGE	
Cc1ccnc(NC(=O)c2ccc(B(O)O)o2)n1	2255670691	HSZWTJHSSLPZMZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1ccc(B(O)O)o1	2255672373	GGNVFGSQOQAJAQ-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
O=C(NCc1ccnn1C1CC1)C1(B(O)O)CC1	2255733462	LJLUDAPILOOHSJ-UHFFFAOYSA-N	249.079	-0.159	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1noc(C(N)=O)n1	2296572633	QMUVVZCAZDSXKV-GSVOUGTGSA-N	232.627	-0.588	50	10	BBGE	
CO[C@H](C1CC1)[C@@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368838	ACTDSKPXRAJGLY-PRQTWWFRSA-N	241.096	-0.221	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CN	2298369966	KHGKZTIMHMKHML-SGIHWFKDSA-N	240.112	-0.707	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3B(O)O)C[C@H]12	2298376029	CTQXPHCIINTQHT-HDBWYCHPSA-N	238.096	-0.909	50	10	BBGE	
CN1CCC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376647	HDLUNGYLYUGMAQ-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[C@H]1B(O)O	2298376894	VOSOWFMXDWPOBE-QYNIQEEDSA-N	249.022	-0.610	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377120	FOLUUMCWPWFIDC-HKBCETJISA-N	241.096	-0.219	50	10	BBGE	
C#C[C@H]1N(c2ncccc2B(O)O)CC1(C)C	2299560805	YWSLDAUFIWFCNV-SNVBAGLBSA-N	230.076	-0.391	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300370779	NHKOXMPWOVYUJL-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CO)Nc1ccc(B(O)O)cc1C#N	2301338739	MDTHGYUJTNXYAS-UHFFFAOYSA-N	234.064	-0.579	50	10	BBGE	
C[C@H](CN)COc1ccc(B(O)O)cc1C#N	2301340638	GREFWBAYECIYAI-MRVPVSSYSA-N	234.064	-0.788	50	10	BBGE	
CC(C)N1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	2301467006	OWDPDUCTRAMUKY-IUCAKERBSA-N	240.307	-0.242	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1occc1B(O)O	2312849355	STYQQOHBDLOKST-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC12COC2	2317165573	MCLBMAWAZWDHAL-UHFFFAOYSA-N	244.059	-0.783	50	10	BBGE	
COC1(C)CN(c2ccc(C=O)c(B(O)O)c2)C1	2317312800	MZGFOLJMIQHIGO-UHFFFAOYSA-N	249.075	-0.596	50	10	BBGE	
CCC#CC(=O)N(C)Cc1ccccc1B(O)O	2319241015	RMOWQGDVHDSTQN-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
C[C@@H]1CNCCN1CC(=O)NNc1ccccn1	54373669	YQIVLSBVXXYIBV-SNVBAGLBSA-N	249.318	-0.182	50	10	BBGE	
CC(=O)NNC(=O)Cc1ccc(N)cc1	82697369	BGGKMKVNPVYXDJ-UHFFFAOYSA-N	207.233	-0.021	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1nnnn1C	86313883	KVROKYMIXVLBFO-RFZPGFLSSA-N	230.297	-0.683	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)C1CCC1	111197025	AXMARURGBGEDHV-UHFFFAOYSA-N	222.248	-0.169	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COCC(F)F)O1	131008277	FKVJAOXPFVHFRN-PHDIDXHHSA-N	224.207	-0.194	50	10	BBGE	
Cn1nnnc1SC[C@H](Cl)C(=O)O	132961398	ZGSHGYVDKWRYJP-VKHMYHEASA-N	222.657	-0.006	50	10	BBGE	
CN(C)NC(=O)Cc1ccc(/C(N)=N/O)cc1	149702603	QBFJKFIFJHNDEM-UHFFFAOYSA-N	236.275	-0.084	50	10	BBGE	
COc1ccnc(NNC(=O)[C@H](C)[C@@H](C)N)n1	192003448	KDPPSKBMXBPGNH-RNFRBKRXSA-N	239.279	-0.088	50	10	BBGE	
Cc1c(C(=O)NNC(=O)CO)ccn1C	192686504	FMYDEIYERAXMAW-UHFFFAOYSA-N	211.221	-0.913	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\N(C=O)CCCN	217183496	VCXWEDREJZTRQD-YFHOEESVSA-N	238.291	-0.274	50	10	BBGE	
CN1C(=O)NC(=O)[C@](C)(CCl)C1=O	238320620	LPJUZZJOJLJOFU-ZETCQYMHSA-N	204.613	-0.060	50	10	BBGE	
Cc1cnc(-n2cccn2)c(B(O)O)c1	238487677	VZMFMZROEWTKIP-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@H]3C2)cc1	306672059	ZVIPPPHTUHTCBK-PHIMTYICSA-N	217.077	-0.182	50	10	BBGE	
Cn1ncc(CN[C@@H]2COC[C@@H]2Cl)n1	307055492	ZDEQEKUVUSXSOY-JGVFFNPUSA-N	216.672	-0.089	50	10	BBGE	
O=C(NNC(=O)[C@H]1CSCN1)c1ccco1	309585583	SDLJHFMOWSOQFP-ZCFIWIBFSA-N	241.272	-0.297	50	10	BBGE	
COC1CN(Cc2ccc(C(=O)NN)cn2)C1	310413800	MMRCIBJJKMQNBG-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
NCCOCC(=O)NCC(Cl)Cl	388390344	BHQPVRCUTBSTDL-UHFFFAOYSA-N	215.080	-0.118	50	10	BBGE	
Nc1sc2c(CO)cccc2c1B(O)O	396246175	OCLIHKIKWUVOMJ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Cn1nnc(CNC(=O)NC(=O)CCCl)n1	398104848	ZAOHNEKQHQKIAP-UHFFFAOYSA-N	246.658	-0.835	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1O	399902463	LAAVZAQKNBJSSH-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
CC1(C(=O)NCc2cccc(B(O)O)c2)CC1	404934690	CCTBCFUCSNZJDB-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)NC1CC1	405150611	QRWYJCFQPQBTQL-UHFFFAOYSA-N	220.037	-0.350	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCC1	585065317	CGLIPKBWVJPWOD-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(CC(=O)NN)C1	688957746	IFRVXXQNCKAWQS-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)OCCl	692820540	QXTZOPKFIHAIJK-LURJTMIESA-N	236.655	-0.234	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1C[C@H](O)CCl	698229606	SDPQWDVTPMSXCA-XLPZGREQSA-N	209.673	-0.986	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](N2CCC2)C1	702298875	ASISMCLNHDOIFF-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CO[C@](C)(CO)CNC(=O)CBr	702479251	FTPNGPYTBFODOU-ZETCQYMHSA-N	240.097	-0.105	50	10	BBGE	
CN(Cc1ccccc1)C[C@@H](N)C(=O)NN	705396687	CKIXSXNQWPSKCI-SNVBAGLBSA-N	222.292	-0.564	50	10	BBGE	
NNC(=O)CCCCN1CC(n2cncn2)C1	707392598	ZYZDITLTHYGERK-UHFFFAOYSA-N	238.295	-0.705	50	10	BBGE	
CCN(CC1CN(C)C1)[C@H](C)C(=O)NN	709609943	RTSPIYCOXXDQTE-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC(O)CC1	710020647	WZUMXKSBJUCWSZ-SNVBAGLBSA-N	229.324	-0.152	50	10	BBGE	
O=S(=O)(CCCC1CC1)NCB(O)O	714974818	KNWHHOJZUBSDHE-UHFFFAOYSA-N	221.087	-0.892	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)CCS(N)(=O)=O	719722349	KCRMDOXWRUVOKB-RXMQYKEDSA-N	228.701	-0.639	50	10	BBGE	
CNC(=O)N1CCN(C[C@@H](O)CCl)CC1	721656918	VTLFMORWSPRIAR-QMMMGPOBSA-N	235.715	-0.457	50	10	BBGE	
CSCCC(=O)NNC(=O)N1CCOCC1	745996319	SQTBBMIHOYNYHY-UHFFFAOYSA-N	247.320	-0.188	50	10	BBGE	
NC(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1	747985827	JOMROWUQLRVSDR-UHFFFAOYSA-N	238.203	-0.087	50	10	BBGE	
NNC(=O)NC[C@]12OCCC[C@H]1C2(F)F	851675304	RYKFTYPWIDWFKD-VDTYLAMSSA-N	221.207	-0.026	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CC1	864443867	MKVYRKZNJQVCDC-SECBINFHSA-N	239.275	-0.445	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(N)ccn1	1136448474	GERSNVUYUPUXHE-UHFFFAOYSA-N	223.236	-0.420	50	10	BBGE	
C=C(C)CNC(=O)c1cccc(B(O)O)c1	1154832113	OJGZXNSJIKVDEX-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
COCCCOCC(=O)NNc1ccn(C)n1	1183388774	LHRRHTQZVOYQEQ-UHFFFAOYSA-N	242.279	-0.084	50	10	BBGE	
COCc1cc(C(=O)NNC(=O)N(C)C)no1	1292259546	XZZWQDFVWIZETL-UHFFFAOYSA-N	242.235	-0.263	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)C[C@H]1CO	1883943715	XEZXXILYQCDAQV-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
CC1(C)OCCO[C@@H]1CNC(=O)NN	1886976072	QTYDROQLEQYJCK-ZCFIWIBFSA-N	203.242	-0.647	50	10	BBGE	
N[C@@H]1C[C@@H]2CN(C(=O)F)CCN2C1=O	1887186913	UIBDSVUSKMWYLV-PHDIDXHHSA-N	201.201	-0.680	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893451966	AHQOKMVTZRQBCX-CWKFCGSDSA-N	219.668	-0.120	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC[C@@H]2C[C@H]21	1900466115	BBLZADBXAWAPBB-IYSWYEEDSA-N	238.077	-0.943	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1901767101	ZLHIWRPZODMHSQ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
Cn1cnc(C(=O)N2CC[C@@H](B(O)O)C2)c1	1902520362	APTQUQJIZVAGDC-SSDOTTSWSA-N	223.041	-0.891	50	10	BBGE	
OB(O)c1cc(S[C@@H]2CC[C@@H]2O)ncc1F	1903005220	DMOUSJYFTNEBCS-JGVFFNPUSA-N	243.068	-0.484	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](O)[C@@H]1C(F)(F)F	1903052557	ZAIPIKGSUZAVDH-IYSWYEEDSA-N	241.213	-0.636	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@H](CO)[C@@H]3C2)CC1	1911277586	WXOKFVXBQDSIRT-AEJSXWLSSA-N	239.319	-0.683	50	10	BBGE	
NC(=O)NNC(=O)C=Cc1ccc(C(N)=O)cc1	1912124268	KTEYYWDWHWRGQB-UHFFFAOYSA-N	248.242	-0.502	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](N=[N+]=[N-])C1	1912183162	MAAZPSLXHOPIHR-MRVPVSSYSA-N	240.267	-0.072	50	10	BBGE	
CC[S@@](C)(=O)=NC[C@H](C)C(=O)NN	1913887583	DSFXWKBGKALHMT-DAZKTRTLSA-N	207.299	-0.270	50	10	BBGE	
CO[C@H]1CNC[C@@H]1C(=O)N1CC=C(C#N)CC1	1917080740	RLYFCLNXZDFYIY-QWRGUYRKSA-N	235.287	-0.097	50	10	BBGE	
NOCC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	1923823282	PRUXSZDYDWKUAS-KCQQBQQISA-N	235.081	-0.272	50	10	BBGE	
C#CCCN(CC)CC(=O)NNC(C)=O	1928165147	IRLBIFBWADNDDA-UHFFFAOYSA-N	211.265	-0.501	50	10	BBGE	
O=C(CCl)N1C[C@@]2(CO)CC[C@]2(CO)C1	1928225365	AFNLWBUXYYDGLH-NXEZZACHSA-N	233.695	-0.181	50	10	BBGE	
CON(C)Cc1nc(C(=O)NN)co1	1928678126	NREMGSTWLXAIPM-UHFFFAOYSA-N	200.198	-0.729	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCS(=O)(=O)CCO1	1928681955	LJLLMCPTOFPZMJ-ZCFIWIBFSA-N	241.696	-0.198	50	10	BBGE	
COC(=O)[C@H](Cl)CN[C@H]1COC[C@@H]1OC	1928965090	ITGDMVXYPJZVSQ-CSMHCCOUSA-N	237.683	-0.230	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(c2nn[nH]n2)CC1	1931221279	DRCAQGYHDKFITR-BYPYZUCNSA-N	215.644	-0.068	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1N(C)CC(=O)NN	1932312672	KIMYXSXLPUXCBU-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@H](C)C(=O)NN)C[C@@H]21	1935840457	VMJMZZGPKYTCRU-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
C[C@H]1CCCN(CC(F)(F)C(=O)NN)C1=O	1935942810	WSPZACLIHYTCHA-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cc(Cl)cnc1=O	1936081673	ALFSEMLSFVJAON-FSPLSTOPSA-N	242.666	-0.477	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)n1	1936092868	YEOZCALIRCWVAW-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@H]1C[C@@H]1C(=O)NN	1936094688	PGNQWQPFNYCQJH-AEJSXWLSSA-N	227.308	-0.419	50	10	BBGE	
Cc1nc(C#N)n(CC(F)(F)C(=O)NN)c1C	1940886514	JVYFWTYBFAQNFY-UHFFFAOYSA-N	243.217	-0.003	50	10	BBGE	
O=C(O)CCOc1ccc(B(O)O)cc1	1951321269	ILTIZPDRAXVSNC-UHFFFAOYSA-N	209.994	-0.780	50	10	BBGE	
CNC(=O)CN(C)C[C@@H](O)CBr	1953618375	QIGDFDPCALZOPW-LURJTMIESA-N	239.113	-0.580	50	10	BBGE	
O=C1CCN(C[C@H](O)CCl)CCN1	1954824266	VZOWCTUOLTZZLF-SSDOTTSWSA-N	206.673	-0.592	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@@H](O)CCl)C1	1956439978	KZWHDLSLZYTBBK-CIUDSAMLSA-N	223.700	-0.332	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)NNCCO)C1	1960134457	LWUGPVSSPGDYBX-MRVPVSSYSA-N	212.253	-0.572	50	10	BBGE	
Cn1nccc1[C@H]1CCN(C(=O)NN)C1	1961482859	MXTGLSDQTRRZDY-ZETCQYMHSA-N	209.253	-0.207	50	10	BBGE	
OB(O)c1cccnc1N1CCCCC1	1961693803	DWGSANGDYAZUPM-UHFFFAOYSA-N	206.054	-0.248	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2COC[C@@H]21	1962322262	MKCXGSMPICTBBZ-AYMMMOKOSA-N	213.281	-0.809	50	10	BBGE	
NNC(=O)CCCN1CC2(CC[C@@H]2O)C1	1975356522	XSPOFQVRLQAVIV-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@@H](C(=O)NN)C(C)(C)C	1985570883	DHPWFENOMJKHKR-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
CCC1(CC)C[C@@H](NC(=O)C(=O)NN)CO1	1988315691	LCLCWHARGUBMBV-SSDOTTSWSA-N	229.280	-0.560	50	10	BBGE	
NC(=O)C1(N)CCN(C(=O)[C@@H]2C[C@@H]2Cl)CC1	1991680629	RYCUTCMCCJGRRH-RQJHMYQMSA-N	245.710	-0.581	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1(CO)CCOCC1	1991707026	WQZXLPBQADIVRC-OWOJBTEDSA-N	247.678	-0.034	50	10	BBGE	
CC[C@@H](C(=O)NN)n1cnc2c(N)ncnc21	1995630495	OIHDDFKXDVTGHK-YFKPBYRVSA-N	235.251	-0.651	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccsn1	1996645255	HRSCDMDHWZALRF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@@H]1CCOCCN1[C@@H](C)CC(=O)NN	1998227557	LKUXIISNLUCHGZ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(CC(C)(C)C(=O)NN)C1	2000965958	ASTBWGGRMRQTJC-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnsn1	2002053469	QNNVKSTVHLTVAH-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCNC(=O)C1CN([C@@H](C)[C@H](C)C(=O)NN)C1	2002651958	IXJWSECJBYHQCF-YUMQZZPRSA-N	242.323	-0.931	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C[C@H]1F	2004915700	BYTSGQUGKVEMHT-IONNQARKSA-N	239.059	-0.659	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](CCF)C2)nc1	2004916480	LXTPXTFCNRGWSM-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
CN(OCC(F)(F)F)c1ccc(B(O)O)cn1	2004919279	WZKKIPIJBRJXIZ-UHFFFAOYSA-N	249.985	-0.309	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC1CCOCC1	2004930931	YHQAVDUYSAFJKT-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2ccncn2)n1	2005007423	GJUMVEZVKBKIRH-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CCN(c1cc(C)c(B(O)O)cn1)C1COC1	2005018309	RJXUIFWDVGSQJI-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncnc(N2CC(C)(CF)C2)c1B(O)O	2008690999	ZLEFYHLRKZODMS-UHFFFAOYSA-N	239.059	-0.739	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010834467	CWHOMVUHJJZOPO-ONGXEEELSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC[C@H]2O)CC1	2014134595	USTLCTUEFYXATQ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCC[C@@H]1OCC2	2020061519	IAVYWTUOSKSFHO-GXSJLCMTSA-N	239.080	-0.370	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(CCOC)C1)B(O)O	2021159605	WAILIHFKISBYBQ-LLVKDONJSA-N	242.128	-0.793	50	10	BBGE	
C[C@H](CN1Cc2cc(O)nnc2C1)C(=O)NN	2025568667	RRFSSAHNJSKAJL-ZCFIWIBFSA-N	237.263	-0.876	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	2026300272	YSMOFUPKWDYHAC-NAKRPEOUSA-N	241.335	-0.031	50	10	BBGE	
CN1CCN(Cc2cccc(B(O)O)c2)[C@@H]2C[C@@H]21	2049378641	FCVIFXUWZKNAFN-QWHCGFSZSA-N	246.119	-0.745	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1c1ncccc1B(O)O	2052491257	JXAXAZIJFGSTPN-GXSJLCMTSA-N	249.123	-0.710	50	10	BBGE	
O=Cc1ccc([N+](=O)[O-])c(B(O)O)c1Cl	2060131408	GRNYTCIWILRURP-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCOc1cc(C)c(B(O)O)c(C=O)c1	2060141747	RKVDOQXXRGRJME-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc2nc[nH]c12	2076081919	OFVVHMNWUHSPCR-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccccc2B(O)O)CCO1	2079008487	KEEIORQIBIFSOP-VIFPVBQESA-N	249.075	-0.773	50	10	BBGE	
O=C(NC1(CCO)CC1)c1ccccc1B(O)O	2079011112	ZDFYENAHDNKTGV-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
C=C=CCC(=O)NCCc1cccc(B(O)O)c1	2084674115	WWPZLBWDMHRLPO-UHFFFAOYSA-N	245.087	-0.244	50	10	BBGE	
NNC(=O)CCN1CC[C@H](OC(F)(F)F)C1	2212371155	UUELZIYCBWRWEF-LURJTMIESA-N	241.213	-0.023	50	10	BBGE	
CN(CCC1CC1)c1cc(B(O)O)ccn1	2212601521	PBOXRSRLXRVEMQ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
C[C@H](C#N)CN(C)c1cc(B(O)O)ccn1	2212601836	UNKHHVJHGGDQHJ-MRVPVSSYSA-N	219.053	-0.643	50	10	BBGE	
C=C1CCN(c2cc(B(O)O)c(C)cn2)C1	2212604179	NADUIIPMBGYSKD-UHFFFAOYSA-N	218.065	-0.164	50	10	BBGE	
CC1(O)CC(Nc2ccc(B(O)O)cn2)C1	2212606046	NLBNLSLAICHIEW-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
CN(CC1(Cl)CC1)c1ccc(B(O)O)cn1	2212606304	RQUVXDPOLYGDJG-UHFFFAOYSA-N	240.499	-0.031	50	10	BBGE	
CC[C@@H](COC)Nc1cc(B(O)O)ccn1	2212615914	WRUZTWUQUYESDE-VIFPVBQESA-N	224.069	-0.402	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H](CO)CC1CC1	2213909956	CPULQNBYMYKAPW-DCAQKATOSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2214605577	MVSHWKKMKXEHAC-JOYOIKCWSA-N	235.092	-0.679	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C[C@@H]1C[C@@H]1C(=O)NN	2214798278	HSTFTTIFQDAAAZ-NMUGVGKYSA-N	241.335	-0.296	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CC1(C(=O)NN)CCC1	2216534119	KHDHOXGOAINWDL-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CO)CC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	2216752543	VYVWAIQWHRHOFS-IVZWLZJFSA-N	243.351	-0.049	50	10	BBGE	
C[C@](O)(CNc1ccc(B(O)O)cn1)C1CC1	2217177766	MYMUZELFBVWMSC-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
OCC[C@@H](Nc1ncccc1B(O)O)C1CC1	2217179548	MHYSCRRTKNHEIT-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
C#CCN(CCF)c1nccc(B(O)O)c1F	2217181320	ODVIPHOMJGUMKX-UHFFFAOYSA-N	240.018	-0.690	50	10	BBGE	
Cc1cnc(O[C@@H](CN)C(C)C)cc1B(O)O	2217185139	UJPDEKCSZDMVRY-JTQLQIEISA-N	238.096	-0.568	50	10	BBGE	
NC[C@@H](Oc1nccc(B(O)O)c1F)C1CC1	2217197344	ZZUJWWIMVYPCPY-MRVPVSSYSA-N	240.043	-0.983	50	10	BBGE	
OB(O)c1cccnc1NCc1cncnc1	2217199868	GOPDGBQBQICBIL-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CC[C@@H](CNc1cc(B(O)O)ccn1)COC	2217201337	DCQQHFIESAPSNO-VIFPVBQESA-N	238.096	-0.154	50	10	BBGE	
C[C@H](O)CN(Cc1cccc(B(O)O)c1)C1CC1	2220061649	GERDKJWLSQDJOD-JTQLQIEISA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC[C@@H]2C2CC2)c1	2223630001	XOASEEQBHKMNSX-MNOVXSKESA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCNCC23CC3)nc1	2223649921	FVVYWRDPWSIGMN-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1cccnc1OC[C@@]12CC[C@@H]1CNC2	2223651587	XVOOFIAGTIUTRH-SKDRFNHKSA-N	248.091	-0.860	50	10	BBGE	
CCN[C@@H]1CCCN(c2ncccc2B(O)O)C1	2223675036	OZZZLWCUHQZFEV-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
CCCN(C)C(=O)c1cc(B(O)O)oc1C	2243350203	XKZDWMZSLIZHFG-UHFFFAOYSA-N	225.053	-0.250	50	10	BBGE	
CON(C)C(=O)c1c(C)cccc1B(O)O	2243375358	RYFSTZZKAZCEMD-UHFFFAOYSA-N	223.037	-0.692	50	10	BBGE	
CCCN(O)C(=O)c1scc(C)c1B(O)O	2243377551	BJPYWQZAPNUJQB-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243381195	DIAWEOVRKCOIGE-XAVMHZPKSA-N	227.069	-0.610	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CN(C)C1	2243393029	ZOIZKUMJSJCMFH-IUCAKERBSA-N	226.085	-0.988	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCNCC1	2243426055	DISNLWCTXSETPU-KYZUINATSA-N	226.085	-0.939	50	10	BBGE	
C=CCC(=O)N(C)Cc1sccc1B(O)O	2243662464	BAYKQDRHRVPDQZ-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)C1CN(C2CNC2)C1	2243751358	VSPVATHEDPYBGB-XVKPBYJWSA-N	243.738	-0.367	50	10	BBGE	
C=CCN(Cc1cc(C(=O)NN)no1)OC	2244257467	HKHJPTAXRZWZRE-UHFFFAOYSA-N	226.236	-0.173	50	10	BBGE	
C[C@H]1CCO[C@H]1C(=O)N1CCC(B(O)O)CC1	2246338128	NVYMWJKTSIZCIX-WCBMZHEXSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)C1(B(O)O)CCC1	2247733935	FAVJPXGVVFWGJF-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1coc(B(O)O)c1	2247734361	SIJMEKMBGQHLBY-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1ccoc1B(O)O	2247742657	RTWABWAGIVZUSK-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
Cc1cc(C(=O)N(O)C(C)C)ccc1B(O)O	2247752399	OQHGMYUKHKAOSM-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1CO)C1(B(O)O)CC1	2247758311	UVJJBUGJYOQLIC-DTWKUNHWSA-N	241.096	-0.482	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC(CO)C1	2247785184	HBVWZJKRKJGLBH-XWJSGITJSA-N	241.096	-0.531	50	10	BBGE	
NCC1(F)CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786960	IZOLPNHHNNQCHC-NLZKFAMNSA-N	244.075	-0.815	50	10	BBGE	
O=C(NCCc1ccon1)[C@H]1C[C@@H](B(O)O)C1	2247787097	KUVVBYNPYJXVAB-OCAPTIKFSA-N	238.052	-0.414	50	10	BBGE	
CCC[C@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCNC1	2247789867	CCMHXDHWNLFQSU-KKZNHRDASA-N	240.112	-0.502	50	10	BBGE	
COC[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792715	USJJHIWNPXBHCM-KXUCPTDWSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247796886	DRIDIZKOIHUZRG-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1cccnn1	2247797705	MGIUTXZRUGHCAE-UHFFFAOYSA-N	235.052	-0.308	50	10	BBGE	
CC(C)CN(CCN)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808569	VJDBFAXKCUAMIK-MGCOHNPYSA-N	242.128	-0.317	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247841050	DNKPOVRVQABGLI-ZJUUUORDSA-N	239.080	-0.726	50	10	BBGE	
CN(CCNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247855180	OIIPCGJWLTXBCL-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1coc(B(O)O)c1	2247856706	MJVIZUXWXYACGL-POYBYMJQSA-N	241.027	-0.468	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](C)CN(C)C	2247894173	DADRNJROIWNOMQ-IVZWLZJFSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCOC1	2247894985	MWTKXECAIYLQIT-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CNC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247904084	OSONMCHHWVHELB-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCC(F)F)Nc1cccc(B(O)O)c1	2247970110	GTCFNCFUCWNWOH-UHFFFAOYSA-N	244.006	-0.247	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2248577170	KQGZCQHSSMXCGH-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
CCCN(CCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248588519	DKELLRSDFVBXHX-YUMQZZPRSA-N	243.068	-0.437	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1cc(B(O)O)co1	2249409509	KEPLRKCRKRHTIH-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2249621926	QNVQMRZVBFTNHW-BIIVNPBRSA-N	239.080	-0.467	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CCC[C@H]21	2249998422	IRLNHKXCHLEOIM-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)CCCCO1	2250006523	MOPLOJROJZFORQ-NSHDSACASA-N	239.080	-0.533	50	10	BBGE	
CCNC(=O)NCc1ccc(B(O)O)c(C)c1	2251313391	RRKXXHLNCRBIFB-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
NC[C@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2253336426	YNWIZQPLFLXNJB-QYNIQEEDSA-N	248.038	-0.956	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)o2)C1	2255463350	HTCWXXDLSISLAK-BDAKNGLRSA-N	247.059	-0.509	50	10	BBGE	
O=C(NC[C@@H](O)c1ccccc1)C1(B(O)O)CC1	2255486564	CHMPJPBMAPXZHD-SNVBAGLBSA-N	249.075	-0.157	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1[C@H]2CCC[C@H]1C2	2255510501	XCASBZKREPXOQD-UWVGGRQHSA-N	248.091	-0.528	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1c[nH]nc1B(O)O	2255554127	IMVDGJBCBPKIEE-RNFRBKRXSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCc1cc(C2CC2)n[nH]1)[C@H]1C[C@H]1B(O)O	2255563860	KCZHQFFNUANOBV-DTWKUNHWSA-N	249.079	-0.234	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ncccc1B(O)O	2255714382	PJFZYYWAQIAQSD-DIYOJNKTSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC[C@@H]2C[C@@H]21	2255723679	HINFOQJUDDRFEC-HQJQHLMTSA-N	249.050	-0.260	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC[C@H]2C[C@H]21	2255723681	HINFOQJUDDRFEC-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
CCN(C(=O)c1ncc(B(O)O)cc1C)C1CC1	2257488489	WREMQFSPEZXGOD-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
Cc1ccnc(C(=O)NCCC#CB(O)O)c1C	2258957775	BUFNIUIRJHWJRR-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	2263680675	NPSROAHJKVDEPR-ZRUAGYDASA-N	249.270	-0.827	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164791	IOTFXLTWAFQKFE-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368729	VEGQMFNDVXWHOR-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2298370554	CIKYGOZKXCVQJU-IGORNWKESA-N	238.096	-0.955	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CO[C@H]2C3)c1	2298564218	KFDAATNADZUOIA-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
CC1(C)COC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299582720	GKSNYCSKPVSWKV-IWSPIJDZSA-N	241.096	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1COC(C)(C)CO1	2300922083	VZPCTIACUDTDCX-DTWKUNHWSA-N	246.307	-0.035	50	10	BBGE	
C[C@]12C[C@](C(=O)N3CC[C@H](B(O)O)C3)(CO1)C2	2303103580	FOXXUNMGJUJVIT-LSJOCFKGSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	2303426514	OUIQPQATKGWLJC-WDCWCFNPSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1n1cnc2c(B(O)O)ncnc21	2317087406	DKYAMILVLIIVDY-RNFRBKRXSA-N	246.079	-0.277	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cc1C#N)C(C)(C)O	2317161476	MOHKYWSZHZCXGC-MRVPVSSYSA-N	248.091	-0.191	50	10	BBGE	
Cc1nn(C(=O)N[C@@H](C)[C@H](C)Cl)c(=O)n1N	82311336	YFZJCYNLJKMFBG-WHFBIAKZSA-N	247.686	-0.359	50	10	BBGE	
C[C@H](CN1CCC(CO)CC1)C(=O)NN	82465802	ORPHSKYGUPSZHD-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSCCO)O1	82472507	WNERTRGDUGMWHK-NKWVEPMBSA-N	220.294	-0.751	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CC#N)CC#N	86313324	QNOOHLRADSCPOV-YUMQZZPRSA-N	209.253	-0.650	50	10	BBGE	
CS(=O)(=O)CC(=O)CBr	87224553	XPHLUQBOKKUGMD-UHFFFAOYSA-N	215.068	-0.005	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(CC2CC2)CC1	110598037	IAQCCQYQRTXYLB-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
Cc1cnc([C@@H](C)NC(=O)C(=O)NN)s1	126305483	YXBVHGYMCOQCPA-RXMQYKEDSA-N	228.277	-0.381	50	10	BBGE	
CN(C)NC(=O)N(C)[C@@H]1COC[C@@H]1C(=O)O	149054558	XJXSMQVBOGRXOQ-NKWVEPMBSA-N	231.252	-0.796	50	10	BBGE	
CC(=O)N[C@@H]1CCN(S(=O)(=O)CCl)C1	160326702	WJTYVVYPPLRCBT-SSDOTTSWSA-N	240.712	-0.277	50	10	BBGE	
CNC(=O)CN(C)C(=O)CCBr	168345234	QSZQHCMTNTUZAC-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
O=C(O)Cn1ncc(NC(=O)CCl)n1	170313766	ITKTUGJJXHCAKI-UHFFFAOYSA-N	218.600	-0.460	50	10	BBGE	
O=S(=O)(CCl)NC1(CO)CCOCC1	230745780	PUEXXKVVPSHSCA-UHFFFAOYSA-N	243.712	-0.356	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	232420816	AQDFDFUVEIHAKP-AEJSXWLSSA-N	244.339	-0.984	50	10	BBGE	
COCCOCc1cccc(C(=O)NN)n1	234963482	IAQXPZCGFBDHRG-UHFFFAOYSA-N	225.248	-0.152	50	10	BBGE	
NNC(=O)c1csc(-n2cccn2)n1	238568431	FHFURGNVCNIUSZ-UHFFFAOYSA-N	209.234	-0.068	50	10	BBGE	
OB(O)c1ccc(C(F)(F)F)nc1O	238621277	UEEBABRTNFDZOM-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
NNC(=O)C1=NCC(=O)Nc2ccccc21	238654801	AORSAILGMQTSBD-UHFFFAOYSA-N	218.216	-0.582	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@@H](C)C1	300837874	GGQSXFSFORTFEU-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C1NOC[C@H]1Nc1nnc(CCCl)o1	306722288	PVXVUANESGFJSC-SCSAIBSYSA-N	232.627	-0.307	50	10	BBGE	
CSCC(=O)NN=Cc1cnn(C)c1N	378732170	BDAUJGWHWQEYPX-UHFFFAOYSA-N	227.293	-0.185	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCC(=O)NN)[C@@H](C)O1	385003854	WCOMTVPHLVFZSQ-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)CCCCCN1CCS1(=O)=O	395555593	CBNWXBCYIPYXTK-UHFFFAOYSA-N	235.309	-0.818	50	10	BBGE	
N#CCc1ccc(CCC(=O)O)c(B(O)O)c1	396137250	LGQDZACTVPPWKQ-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
Nc1cccc2sc(CO)c(B(O)O)c12	396252848	UPSAROPOGCLRDQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H]1COC(C)(C)CN1C(=O)C(=O)NN	403764635	GYOSGMDBDQGNKB-ZETCQYMHSA-N	229.280	-0.608	50	10	BBGE	
CCn1cc(CNC(=O)NC(=O)CCl)nn1	404463865	VSZDCNHHUVOJBF-UHFFFAOYSA-N	245.670	-0.137	50	10	BBGE	
O=C(CC(F)(F)F)Nc1ccnc(B(O)O)c1	404904422	BNCKXWHXAQLLGV-UHFFFAOYSA-N	247.969	-0.348	50	10	BBGE	
COCCC(=O)NCc1ccc(B(O)O)s1	405002529	MRSRRJXVXJLKBD-UHFFFAOYSA-N	243.093	-0.919	50	10	BBGE	
C[C@H](O)C1CN(S(=O)(=O)CCCl)C1	642872858	SZBNZTGPXKLUSM-LURJTMIESA-N	227.713	-0.132	50	10	BBGE	
NC(=O)NNC(=O)[C@]12CCC[C@H]1OCC2	687413698	JZIJRTQXZSJZNM-MUWHJKNJSA-N	213.237	-0.355	50	10	BBGE	
CCN(Cc1nc(C(=O)NN)co1)C[C@H](C)O	692179126	ZSMHHUOQRHOFAN-ZETCQYMHSA-N	242.279	-0.519	50	10	BBGE	
Cn1cc(CC(=O)N2CCC(O)(C#N)CC2)cn1	695047424	YSQPCQWUIVJSHG-UHFFFAOYSA-N	248.286	-0.160	50	10	BBGE	
Cn1nnc(C(=O)N2CCO[C@H](CCl)C2)n1	697213028	PMROQAQOVNMJPV-ZCFIWIBFSA-N	245.670	-0.710	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCn2ccnc2)c1	699704746	JEUYUHLQMGACEB-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](CO)C1	700454903	OQQRLXPBIUJOIN-PSASIEDQSA-N	243.307	-0.896	50	10	BBGE	
CC1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	704946141	KRBNPYBXLVIPIA-IUCAKERBSA-N	213.281	-0.524	50	10	BBGE	
CO[C@H]1C[C@@H](CN2CC(=O)OC(=O)C2)C1	709113736	IXIKEKOAKKCGNC-OCAPTIKFSA-N	213.233	-0.203	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)CCC(=O)NN)CO1	711147063	NXQNXCLXARUCIH-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cc1nn(C)cc1CN(C)[C@@H](C)CC(=O)NN	716411615	AVARTRRCXHTKPR-QMMMGPOBSA-N	239.323	-0.071	50	10	BBGE	
CN(C)C[C@H](Cl)CN=c1nn[nH]n1C	717385963	JCTCQNWHBSLAOH-ZCFIWIBFSA-N	218.692	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2OCC[C@H]2C1	724821244	GQLIBXLZYZTRAH-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
COCC(=O)NN=C1CC(=O)N2CCC[C@@H]12	799484091	TXJABJYAOGZEOL-QMMMGPOBSA-N	225.248	-0.500	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C	823474952	MSOSNIFYOYKMFS-RBXMUDONSA-N	242.275	-0.406	50	10	BBGE	
COCCN(C)NC(=O)CCc1ccnn1C	848377970	GJRWOBLPULHAPN-UHFFFAOYSA-N	240.307	-0.038	50	10	BBGE	
CC(C)C(=O)NNC(=O)COC1CC1	877999603	DFOLXXRUXMLMER-UHFFFAOYSA-N	200.238	-0.031	50	10	BBGE	
Cn1ccnc1CN1CCC(C(=O)NN)CC1	1118127636	LDMCXVGXVBREAL-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1ccc[nH]1	1290262508	ZFHCUOQASUWTDF-DLRBJTRDSA-N	223.232	-0.287	50	10	BBGE	
C[C@H](CCN(C)C)C(=O)NN(C)C(N)=O	1630877661	BOBAHPLAYYCMTF-SSDOTTSWSA-N	216.285	-0.384	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1	1643222660	NRSVCYWYTXZXED-QMMMGPOBSA-N	246.332	-0.063	50	10	BBGE	
Cc1nnc(NNC(=O)NCCC#N)n1C	1681910818	ODWWIZPUYNLYSW-UHFFFAOYSA-N	223.240	-0.337	50	10	BBGE	
C[C@@H](OCC[C@@H](C)N(C)C)C(=O)NN	1884886671	HCNDONKMVGQRSU-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
NC(=O)[C@@H]1CNCCN1C[C@@H]1C[C@@H]1Cl	1893100350	UYRQTNPEVSHECI-FXQIFTODSA-N	217.700	-0.627	50	10	BBGE	
O=C(NC[C@]1(O)CCNC1)[C@H]1C[C@@H]1Cl	1893445561	DEUYAQPXVMROPB-ZKWXMUAHSA-N	218.684	-0.546	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893462014	VHNJHKXOYCNJGR-CWKFCGSDSA-N	218.684	-0.547	50	10	BBGE	
CN1CC(CO[C@H](C(=O)NN)C(C)(C)C)C1	1899504467	CFLJXNMKMWRULF-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@H]1C[C@@H]2O)C(=O)NN	1900378680	LTSRXTWTYYBXNJ-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
C=CC[C@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901348571	LHSATMIMUZNBFK-QMMMGPOBSA-N	247.320	-0.655	50	10	BBGE	
CC(=O)NCc1cc(C)c(B(O)O)s1	1901750328	APOLOZFWVGRRNI-UHFFFAOYSA-N	213.067	-0.628	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H](C)CN(C)C	1904707458	HNSLSMKXXWKFKM-ZJUUUORDSA-N	230.356	-0.117	50	10	BBGE	
CC[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1CO	1911478305	BPZIPLHAVUKCSR-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
C[C@@H](CN1[C@@H](C)COC[C@H]1C)C(=O)NN	1912261166	CVHZBRQCJJKSOO-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)CCN1CCn2nccc2C1	1927958086	SUYOSPWOLLDUNY-UHFFFAOYSA-N	209.253	-0.921	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@H](CCl)C1	1928695577	DLEBTHYECCUQTP-SSDOTTSWSA-N	229.671	-0.240	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2cn(C)nn2)C1	1928754961	HDJYQZHAHGEPQJ-IUCAKERBSA-N	229.715	-0.174	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1[C@H]2COCC[C@@H]21	1930484196	LUXPTXIGRGJJOL-HLTSFMKQSA-N	213.281	-0.809	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@H]1CCCOC1	1932290644	NIVOIQLTXMCMIG-XHNCKOQMSA-N	214.265	-0.192	50	10	BBGE	
CC[C@@H]1COCCN(CC(=O)NN)C1	1933531849	LZVQOZAEAASQCR-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1CC(F)(F)C(=O)NN	1935924477	BSOFRHUUQGYQQC-RITPCOANSA-N	235.234	-0.132	50	10	BBGE	
NNC(=O)COCCOCCOC1CCC1	1936534300	OJUVLRYBBVERCO-UHFFFAOYSA-N	232.280	-0.421	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COCC[C@H]1Cl	1937144372	BSTBIWXXRDSGCJ-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)[C@@H]1CCCOC1	1937726000	GMAFKPSOXYVRPC-RNFRBKRXSA-N	247.320	-0.708	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](CO)C2(CC2)C1	1941083309	PPDUZZQYFQENFV-LPEHRKFASA-N	239.319	-0.683	50	10	BBGE	
C[C@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941095153	SXEMZBAGZQWMOM-INTQDDNPSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccc(C)nn1	1941971842	RZWPWQNODOURIZ-SNVBAGLBSA-N	237.307	-0.015	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(CC2)CO1	1944594142	QRGVQHXBRHVQJJ-UHFFFAOYSA-N	233.076	-0.106	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1COCCCO1	1948401842	ZKTDGYJZBVUDIF-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
O[C@@H](CBr)CCc1nn[nH]n1	1952365579	RYVDLPISGWWKJD-SCSAIBSYSA-N	221.058	-0.112	50	10	BBGE	
CN(C)NC(=O)CC1(O)CCNCC1	1955551822	UMPXCDRXJDHPSS-UHFFFAOYSA-N	201.270	-0.916	50	10	BBGE	
OCCO[C@H]1CCN(C[C@H](O)CCl)C1	1956308630	DWDMVQJMCCKAFZ-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
C[C@H](CC(=O)NN)N=[S@@](C)(=O)N(C)C	1956457132	AUMANOSOIKADQQ-RWBAJPLHSA-N	222.314	-0.671	50	10	BBGE	
CC[C@]1(CO)COCCN1C(=O)NN	1956680289	CUPCTLNTRPGHBW-QMMMGPOBSA-N	203.242	-0.957	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)[C@@H]2COC[C@H]21	1957255538	GSTCMUXNGLOLQA-XSPKLOCKSA-N	215.684	-0.225	50	10	BBGE	
CN(CC1CC1)c1ncccc1B(O)O	1961694214	LGJKTBCYLAQBPH-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961927283	UBZKPKFSVCHIIT-ABRLLLAPSA-N	233.695	-0.044	50	10	BBGE	
N#CC1(O)CCN(CC2(O)CC(N)C2)CC1	1976167903	QLEWFHGLRGANFZ-UHFFFAOYSA-N	225.292	-0.811	50	10	BBGE	
COC1(COc2ccccc2B(O)O)CC1	1979947731	NMKUSBUSJIQJOO-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
C[C@H](CN1CCN(C)[C@H]2CC[C@H]21)C(=O)NN	1980229388	RWRRMEIIGAVFMR-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
CCC(CC)N(C)c1ncc(B(O)O)cn1	1981409094	IUVGBZVPMSSWRW-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
COCCCCN(C)c1nc(B(O)O)cs1	1981473496	ZMYLUFKTKWYZHG-UHFFFAOYSA-N	244.125	-0.314	50	10	BBGE	
CC[C@H](COC(F)(F)F)NC(=O)C(=O)NN	1981736384	RNLWBLCHONSLJM-SCSAIBSYSA-N	243.185	-0.593	50	10	BBGE	
NNC(=O)C1(COCCN2CCCC2)CC1	1982849641	RYLGONOMQFOPBD-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
COc1nc(=NC2CC(Cl)C2)nc(NN)[nH]1	1983213097	HJYMDHHCOPRCBJ-UHFFFAOYSA-N	244.686	-0.231	50	10	BBGE	
CC[C@@H](C)OCn1cccc(B(O)O)c1=O	1984102874	YDJIDLYMVDOPOH-MRVPVSSYSA-N	225.053	-0.699	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CC[C@@](O)(C(N)=O)C1	1985791303	XJMYEGJFMXWTJV-XVKPBYJWSA-N	248.710	-0.300	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(CCO)C1	1987907320	OSKYOMIXBVDBHO-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnsc1	1991345917	RGDZYHFUWFNCHM-QMMMGPOBSA-N	238.077	-0.026	50	10	BBGE	
NCCn1cc(C(=O)NC[C@@H]2C[C@@H]2Cl)nn1	1991443910	XTMWFDDHLSIEOR-BQBZGAKWSA-N	243.698	-0.406	50	10	BBGE	
C=C(CN1CC[C@H]([C@H]2CCOC2)C1)B(O)O	1992144699	CMKJJJJASARTCX-QWRGUYRKSA-N	225.097	-0.087	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1997588964	UIKBRUGIAMBGLS-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2cccc(B(O)O)n2)[C@@H]1C	1998449348	YNJQIGMATBUKJD-LYIWLLOFSA-N	234.064	-0.398	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@@H]3C[C@H]32)n1	2003505835	JGGHDAQZBPDYKR-GMSGAONNSA-N	235.291	-0.382	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CC2(CC2)C1	2004917304	AVUVQZPXJFVNNN-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
C[C@H]1CCCCN(c2ncc(B(O)O)cn2)C1	2004918307	JYOMQCUVAZSIET-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
C[C@H]1N(c2ncccc2B(O)O)CCC1(F)F	2004925766	VFFABCFLNDZDAC-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)nc1	2005810199	ULVGBAHNRGQAMR-BBHBSTQDSA-N	230.076	-0.394	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@]2(CCCOC2)C1	2009135638	DCCLZHZESAAOSJ-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
CC(C)(C)[C@H](OCCn1cncn1)C(=O)NN	2012465952	UWHPXNYDHHSMES-MRVPVSSYSA-N	241.295	-0.301	50	10	BBGE	
C[C@H](O)C[C@@H]1COCCN1[C@H](C)CC(=O)NN	2013003995	CFDDUBCKOPHYKZ-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CC(C)(CN1CC[C@H](C2(O)CC2)C1)C(=O)NN	2013928390	PZNRMAUDLZLGDW-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
O=C(Cn1ccnc1)N[C@H]1CCC=C1B(O)O	2020060599	BWSPFPBBAZDHKW-VIFPVBQESA-N	235.052	-0.900	50	10	BBGE	
O=C(NCC=CB(O)O)c1c(O)cccc1F	2020067620	JMIBYKCYAIJBHK-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3CC[C@H]3C2)n1	2050241514	IXIFNNBCJBFVOA-IUCAKERBSA-N	249.318	-0.135	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2c1ccncc1B(O)O	2052491729	LSIPWGOQUJAWGR-AOOOYVTPSA-N	247.107	-0.956	50	10	BBGE	
Cc1nc(N2CC[C@@H](C3CC3)C2)ncc1B(O)O	2052557394	SYVVBYTXMTTYHZ-SNVBAGLBSA-N	247.107	-0.299	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CCc2ccc(B(O)O)cc21	2055631367	MJGMUUZGMHMADY-NXEZZACHSA-N	249.050	-0.387	50	10	BBGE	
COc1cc(B(O)O)cc([N+](=O)[O-])c1Cl	2060016288	VBDAOBDTAWWNCQ-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
OB(O)c1cccnc1N(CC1CC1)C1COC1	2073408984	FGPSXLRUQNEQDM-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
COC[C@H](S[C@H]1CCNC1)C(=O)NN	2210076557	DCDSIUVCIJGUFF-BQBZGAKWSA-N	219.310	-0.914	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)ccn2)CCCNC1	2217177728	MONMNAZLBIDJMB-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
CC(C)[C@@H](CN)COc1ccc(B(O)O)cn1	2217184153	NKIXZCMUPSUXQX-VIFPVBQESA-N	238.096	-0.629	50	10	BBGE	
Cc1cnc(N2C[C@@H](F)[C@H](F)C2)cc1B(O)O	2217184755	VXXIOECFNYBBAG-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
C[C@](N)(COc1ncccc1B(O)O)C(F)F	2217186713	OBGUJYPHTNWQLO-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
CC(C)C[C@H](CO)Nc1ncccc1B(O)O	2217203721	ZLGHMOCBSGUABW-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
CCN(CC)CCNc1cc(B(O)O)ccn1	2217204159	GFBAHXKACRJVTI-UHFFFAOYSA-N	237.112	-0.485	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3CCC[C@@H]32)[nH]c1	2223633835	BTBAFODDIJAROJ-YWVKMMECSA-N	247.107	-0.574	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)C[C@@H]1CN	2223636834	BFXOKIVFDFSYPU-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
Cc1cnc(N2CC3(CC[C@@H]3O)C2)cc1B(O)O	2223648095	HAEXHEKAXMQKNO-JTQLQIEISA-N	248.091	-0.969	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@]12CCNC2	2223670170	UHNIQAMZZDUPJE-GFCCVEGCSA-N	247.107	-0.906	50	10	BBGE	
N=c1cc(CNc2cc(B(O)O)ccn2)cc[nH]1	2223822525	PBNGHNBPYUFGBD-UHFFFAOYSA-N	244.063	-0.819	50	10	BBGE	
CSC(C)(C)CNC(=O)C#CB(O)O	2241476676	XHULEHPGSRRPFK-UHFFFAOYSA-N	215.083	-0.740	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](OCC(F)F)C1	2242681387	YSESQCYYHYZWNT-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)C1(B(O)O)CC1	2243363097	AZIKCIUYNBZQEJ-MRVPVSSYSA-N	228.101	-0.517	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC12COC2	2243382601	QOKQALDFDRAKCE-OCAPTIKFSA-N	225.053	-0.759	50	10	BBGE	
N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243390760	AVCUSAQKEQXQSP-VGMNWLOBSA-N	226.085	-0.811	50	10	BBGE	
C#CCOCCCNC(=O)[C@@H]1C[C@@H]1B(O)O	2243391278	IQKGDUQZMCHCPD-BDAKNGLRSA-N	225.053	-0.995	50	10	BBGE	
C=CCN(CCC)C(=O)c1coc(B(O)O)c1	2247732779	JGHICJSMXJYZPX-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cc1F	2247742863	VJHYQKRDVQVXIU-UHFFFAOYSA-N	235.023	-0.234	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1[C@H]2CCC[C@@H]1C2	2247744623	VRHAZLUXVVNYOC-OCAPTIKFSA-N	235.048	-0.274	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2247746770	DFUAIPGLESGXJE-QMMMGPOBSA-N	236.080	-0.291	50	10	BBGE	
CC[C@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2247746772	DGTAOENYBAOROB-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)c[nH]2)CCC1	2247747413	NCTRXNPSUYEQKX-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
CO[C@H]1CC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247750075	DNQHMEWYFRRHLB-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2247750854	OWAQSJAJKACCKB-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CCN	2247751350	WOPSYLLWGIOEDG-BDAKNGLRSA-N	240.112	-0.563	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(B(O)O)c1F	2247756954	IARPAHBAVQQGEH-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
CN1CCC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247758423	ZGFVFCNRCDZRGS-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
O=C(NC[C@H](F)[C@@H]1CCOC1)[C@H]1C[C@@H]1B(O)O	2247793260	WSPBGUMALKYYHK-XGEHTFHBSA-N	245.059	-0.660	50	10	BBGE	
N[C@H]1CCCCN(C(=O)C2CC(B(O)O)C2)C1	2247797026	FRFBEVWGVUFKCR-RTBKNWGFSA-N	240.112	-0.421	50	10	BBGE	
CCn1nccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247804555	HLUCBEVZHZCZCK-IUCAKERBSA-N	237.068	-0.618	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)oc1C	2247808858	WKPMSTJGTNWRBR-YUMQZZPRSA-N	238.052	-0.229	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1O2)[C@@H]1C[C@@H]1B(O)O	2247808897	WORWAKXZMLJBEU-SQXHDICFSA-N	239.080	-0.325	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]1c1ccccc1	2247849580	BQUSZIJQCISWKK-LLVKDONJSA-N	229.044	-0.025	50	10	BBGE	
Cc1cc(C(=O)N2CCCCO2)oc1B(O)O	2247860088	RUDZRYWMZAWLMD-UHFFFAOYSA-N	239.036	-0.565	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C12CC(CO1)C2	2247873493	CDLGYCQVFDFUFV-OBEAGUGNSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1CO	2247896419	GQYROEDDTIZUGC-AXTSPUMRSA-N	241.096	-0.674	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1COC(C)(C)C1	2247896513	ZFUZNDZCYHIVBC-DJLDLDEBSA-N	241.096	-0.125	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N[C@@H]1C[C@@H]1F	2247972613	RCVTUQNJAKQADW-IONNQARKSA-N	238.027	-0.402	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)c(N)c1	2249906511	BFVKAQMQMHHCBS-UHFFFAOYSA-N	232.048	-0.678	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NCCC#CB(O)O	2250009227	VVOYNZXBTLWSAF-OIBJUYFYSA-N	245.034	-0.201	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2[C@@H](C)[C@H]2C)n1	2255491369	WDLMGPXTUONBFO-MBTKJCJQSA-N	248.091	-0.546	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2CCC[C@@H]21	2255515971	FHNMYFMFKDYSGE-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2255516261	JRUWARHRZSUTTO-KCJUWKMLSA-N	248.091	-0.368	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ncccc1B(O)O	2255517621	WOYJZQHLTCBWBQ-WPRPVWTQSA-N	248.091	-0.368	50	10	BBGE	
C[C@@]1(NC(=O)c2ncccc2B(O)O)C=CCC1	2255518277	IWIUWMCGFIWYPH-GFCCVEGCSA-N	246.075	-0.400	50	10	BBGE	
C#CCCCCCNC(=O)c1cc(B(O)O)n[nH]1	2255552964	RRHMWBSCGYUYHP-UHFFFAOYSA-N	249.079	-0.987	50	10	BBGE	
Cc1cc(CNC(=O)c2coc(B(O)O)c2)co1	2255688902	BQWQZJWLOXVMOR-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(F)c(B(O)O)c1	2255693253	YWGZFDUHARADLJ-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1C[C@@H]2C[C@H]2C1	2255720854	RBYBBCLYAHMGFW-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1O[C@H]2C=C[C@H]1C2	2255745058	MMOUSYZKAGLQQA-YUMQZZPRSA-N	249.031	-0.648	50	10	BBGE	
O=C(N[C@@H]1CCCC12CC2)c1cc(B(O)O)n[nH]1	2255764019	VDRQKCSVQHXYJQ-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1cocc1B(O)O	2258130025	AKNAHMWEROMNGL-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccoc1CNC(=O)c1cocc1B(O)O	2258131822	ZLTXIXFIXWODMF-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C#CCN(OC)C(=O)c1cc(C)cc(B(O)O)c1	2258261509	GLRSVMCALSNBRD-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
CC(=O)c1c[nH]c(C(=O)NCCC#CB(O)O)c1	2258958076	SWNKYCYQTSZTRW-UHFFFAOYSA-N	248.047	-0.647	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2COCC[C@@H]21	2298167935	IRSFCFWPKGDDPH-ZNSHCXBVSA-N	239.319	-0.277	50	10	BBGE	
COC[C@@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298369279	PEZLWJTWGVTNPY-WCABBAIRSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@H]2CCC[C@H]21	2298376317	RRCHJUOGMBCPTE-KYXWUPHJSA-N	239.080	-0.371	50	10	BBGE	
CC(=CC(=O)N1CCC(O)(C#N)CC1)C(=O)O	2299155567	QKWCILCGTCIUKT-UHFFFAOYSA-N	238.243	-0.106	50	10	BBGE	
C[C@H](CCO)Nc1ccc(B(O)O)cc1C#N	2301339736	WOQWZPJPGQQZAA-MRVPVSSYSA-N	234.064	-0.579	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCN1	2301345072	AZVPWOPGVGUCFH-JTQLQIEISA-N	231.064	-0.988	50	10	BBGE	
C[C@@H](N)[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301452839	MVVLVIAIVWPKEO-HTQZYQBOSA-N	237.064	-0.707	50	10	BBGE	
C[C@@H]1[C@@H](n2cc(B(O)O)cnc2=O)CC1(C)C	2302158860	KAGXNWNTOMEVDC-APPZFPTMSA-N	236.080	-0.470	50	10	BBGE	
Cc1nc(CCCN2CC[C@H](B(O)O)C2)n[nH]1	2306976564	YZLDGVVJHUIMQT-VIFPVBQESA-N	238.100	-0.406	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CC[C@@H](C1)NC2	2316463443	QKWYXXOXPBVWKW-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
C[C@H](CNc1ccc(B(O)O)cc1C#N)N(C)C	2317151793	VCXAZNHQBXPTIF-SECBINFHSA-N	247.107	-0.400	50	10	BBGE	
COC(=O)[C@@H](CC(=O)NN)C1(O)CCCCC1	3187077	GMYGIAXFQDCALU-MRVPVSSYSA-N	244.291	-0.149	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H]1CCO)C(=O)NN	58847520	RIIRVNOVUSIPHD-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CNC[C@H]1CCCN(CCC(=O)NN)C1	82471259	SALKMCXAHZVZAA-SECBINFHSA-N	214.313	-0.702	50	10	BBGE	
OB(O)c1c(-c2ccccn2)nn2c1CCCC2	204219820	KCGQOQFWDROFQJ-UHFFFAOYSA-N	243.075	-0.039	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CO)C1	226494410	MHCSAFZGIJPUDY-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1cccc(CO[C@@H]2CCOC2)n1	236237661	PPIRXSSZNUNMFV-SECBINFHSA-N	237.259	-0.009	50	10	BBGE	
CC1=C(C(N)=O)C[C@H]2C(=O)OC(=O)[C@@H]2C1	238189828	PQMCKFYYTMYKFT-RNFRBKRXSA-N	209.201	-0.102	50	10	BBGE	
COC[C@@H](C)N(C)[C@H](C)CC(=O)NN	251475466	FBXXPBWJAPWZQY-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
C[C@H](C#N)Cc1ccc2c(c1B(O)O)OCO2	260407915	SGABHGDLRUUALC-ZETCQYMHSA-N	233.032	-0.203	50	10	BBGE	
Nc1csc2cc(B(O)O)cc(N)c12	306814919	CFRSFXGNZNGIJV-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@](O)(CF)[C@@H]1O	307224872	CAAAXHGJVWQXJB-SLPGGIOYSA-N	200.593	-0.996	50	10	BBGE	
O=C(CCl)NC[C@H](O)[C@@H]1CCOC1	308370100	KIZDUBXFGKETSF-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cc(C#N)cn1	309068912	BAJLWBJEMATJNQ-MRVPVSSYSA-N	207.237	-0.058	50	10	BBGE	
NNC(=O)c1ccccc1N1CCNCC1	309383876	ZXOBONSMWBGYCS-UHFFFAOYSA-N	220.276	-0.300	50	10	BBGE	
OB(O)c1ccc(OCCN2C[C@@H]3C[C@H]3C2)cc1	380344014	FSZYZSHFXSYWQW-QWRGUYRKSA-N	247.103	-0.303	50	10	BBGE	
CC(C)(CN1CC[C@](C)(CO)C1)C(=O)NN	381335347	CSJNNVRTTBBDAK-NSHDSACASA-N	229.324	-0.293	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1F)C(F)(F)CO	383829584	OSSGBHWPQQOTDE-QMMMGPOBSA-N	248.997	-0.867	50	10	BBGE	
COC(=O)[C@@H](Br)CN1CC(O)C1	384037408	DZIAJRQYJDHTKB-LURJTMIESA-N	238.081	-0.401	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CN2CCC1CC2	393758550	YNDDOXWXCKIXFB-JTQLQIEISA-N	226.324	-0.608	50	10	BBGE	
CC(=O)OCc1c(B(O)O)cccc1[N+](=O)[O-]	394950262	XGZDSTUWTHTTFT-UHFFFAOYSA-N	238.992	-0.662	50	10	BBGE	
COc1cc(CCC=O)cc(B(O)O)c1	396036211	ZBTIRVGJTYOAQD-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CCC[C@@H](SCCC(N)=O)C(=O)NN	399141946	ACPLQLNTKAMVGW-ZCFIWIBFSA-N	219.310	-0.246	50	10	BBGE	
COC(=O)Nc1cc(B(O)O)ccc1C	405149841	QHCNDEGDAHNQJH-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
C#CCOC(=O)Nc1cc(B(O)O)ccc1OC	405152919	UFWXTKTWLOJMQD-UHFFFAOYSA-N	249.031	-0.443	50	10	BBGE	
C[C@@H]1OC[C@@H](N2CC(=O)OC(=O)C2)[C@H]1C	405572207	WXIXWBRKAINDAB-BIIVOSGPSA-N	213.233	-0.205	50	10	BBGE	
CS(=O)(=O)N1CC(C[S@@](=O)Cl)C1	675071607	OAQYNOPVCQGSNY-LLVKDONJSA-N	231.726	-0.220	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1cc(C)ccc1B(O)O	690071389	CJPZBMMRGNALIA-GZMMTYOYSA-N	249.075	-0.352	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C#N)C1	693988250	WYXREUSFDKSPEA-DTWKUNHWSA-N	210.281	-0.154	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cn1)c1ccccn1	694532397	SRPRYKYQUUGJSR-VIFPVBQESA-N	231.064	-0.238	50	10	BBGE	
O=C(NCB(O)O)c1ccc2cccnc2n1	701964009	BJTKUEQQEOYCJI-UHFFFAOYSA-N	231.020	-0.628	50	10	BBGE	
NC(=O)NNC(=O)c1cc(O)ccc1F	703766732	MZGJNIZGENHREB-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	707559069	SKEQQOQFOGCTSM-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	709913666	PCFKVEQYKJVTEW-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
OB(O)c1cc(F)cc(OCC[C@@H]2CO2)c1	718544737	TZHSQDTWKJQXBE-SECBINFHSA-N	226.012	-0.327	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C=C1CCNCC1	852884921	QCSGRGUKZUWIKX-UHFFFAOYSA-N	240.307	-0.011	50	10	BBGE	
Cc1[nH]nc(C(=O)N2CC[C@@H](B(O)O)C2)c1C	1118976459	XEIFNBFQSJJMGT-MRVPVSSYSA-N	237.068	-0.285	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCCl)CO1	1253560101	NMSQMYCWISGTTQ-RXMQYKEDSA-N	227.669	-0.540	50	10	BBGE	
CN(C)C(=O)CCN(C)S(=O)(=O)CCl	1260932233	JLFRPMKGSVQROT-UHFFFAOYSA-N	242.728	-0.077	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1ccccn1	1462494734	SQFBPEVVNUDXSY-UHFFFAOYSA-N	243.226	-0.054	50	10	BBGE	
COCCN(C)NC(=O)c1n[nH]cc1F	1467956491	DZWCUHDOCAQBTE-UHFFFAOYSA-N	216.216	-0.228	50	10	BBGE	
CC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1	1587581578	FETJROLWKBWWFE-UHFFFAOYSA-N	212.165	-0.296	50	10	BBGE	
CS/C=C/C(=O)NNC(=O)c1ncon1	1627100260	XMLSWQFAMTVSGL-NSCUHMNNSA-N	228.233	-0.293	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@H]2Br)COC1	1877366650	VVGIQVQGFXJXDN-NTSWFWBYSA-N	249.108	-0.386	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NN	1880022464	DFJXQUNYYBULQI-RQJHMYQMSA-N	245.279	-0.484	50	10	BBGE	
O=C(CBr)NC1([C@@H](O)CO)CC1	1881137245	FNIKDOZICUMACO-YFKPBYRVSA-N	238.081	-0.617	50	10	BBGE	
NS(=O)(=O)[C@@H]1CCCN(C(=O)F)C1	1882788032	RRNUWHGWYGGGMT-RXMQYKEDSA-N	210.230	-0.171	50	10	BBGE	
CC1(NC(=O)/C=C/C(=O)Cl)CNC1	1883647139	IXKCGNSBBRZLFL-NSCUHMNNSA-N	202.641	-0.214	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cc[nH]n1	1884831322	ONPAVQBVECRIAX-LURJTMIESA-N	233.680	-0.071	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@H]1CF	1885914456	DIOZXTXUWQLZCJ-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
OC[C@H](O)C1CN(CCBr)C1	1887171397	OAHOWRAMOGQLLR-ZETCQYMHSA-N	224.098	-0.334	50	10	BBGE	
NNC(=O)C1(CS[C@@H]2CC[C@H]2N)CC1	1887471095	DYPBEHVUKJHKQH-RNFRBKRXSA-N	215.322	-0.021	50	10	BBGE	
O=S(=O)(CCCl)NC1(CO)CC(O)C1	1890899318	FEDYMSKVZPSIOZ-UHFFFAOYSA-N	243.712	-0.970	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2[C@@H]1C[C@H]2O	1894053563	GKLDUTQLLYBNGH-XHNCKOQMSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](Cn2ccnc2)O1	1896927261	DIEFPTZVXYGPBY-BDAKNGLRSA-N	224.264	-0.189	50	10	BBGE	
C[C@@H](N)CSC[C@]12C[C@](C(=O)NN)(CO1)C2	1897833694	WTCGHGXGKCNPQF-SZEHBUNVSA-N	245.348	-0.394	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@]1(C)CCN1	1901377811	SWOIEGXVILQZNU-VIFPVBQESA-N	249.336	-0.560	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@H]1C[C@H]1F	1902640123	ZTVHDNIKDZPKFQ-RNFRBKRXSA-N	244.100	-0.387	50	10	BBGE	
OB(O)c1cc(OCC2(F)CC2)ncc1F	1903026633	ZCJKGDAYIALLBZ-UHFFFAOYSA-N	228.991	-0.219	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1CO	1911479674	WMWKJWFDAPFASI-DBIOUOCHSA-N	243.351	-0.049	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CO)C(C)(C)C1	1914457358	PMPDTPWUMIJEDD-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
O=C(Cn1cncn1)N(CCCl)C1COC1	1915654609	GDDKMSVNNDEWGU-UHFFFAOYSA-N	244.682	-0.256	50	10	BBGE	
OCCN(C[C@H](O)CCl)C1COC1	1915687989	FRFQCDUOCCHACS-MRVPVSSYSA-N	209.673	-0.721	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@H]1CCNC1=O	1916211416	FHSXRFGKTSURGU-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CCC[C@@H](SCCNCCN)C(=O)NN	1923483650	LBZDQIILFPNULA-MRVPVSSYSA-N	234.369	-0.574	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1F	1928692284	MSSCCFNEIDAJAQ-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2CC[C@H]21	1931927032	MJCVOBMYEIRHFD-RQJHMYQMSA-N	201.295	-0.444	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1CC1CCC1	1933351768	YSAQGTYRGPBTBO-QMMMGPOBSA-N	211.265	-0.233	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1936025890	HIZKTMZRJSWJCA-IWSPIJDZSA-N	233.287	-0.594	50	10	BBGE	
NNC(=O)C1(CN2CCOCCC2=O)CC1	1938261311	YTIYJHZMFOVPNL-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@H]1COCCO1	1939103958	ZPVCWCVRKLQQJZ-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1[C@@H]1CCOC1	1941372373	IZKXJQBEBHCQMB-BBBLOLIVSA-N	243.307	-0.898	50	10	BBGE	
Cc1cc(Cn2ccc(B(O)O)n2)nc(C)n1	1941976462	JIDIZMSENMPWDM-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C)C[C@H]1CO	1945903126	AXTVUMXEDOOYKC-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
N#C[C@@H](Cl)CN1CCO[C@@H](CN)C1	1954214263	CNWDHTVPYSBWHN-SFYZADRCSA-N	203.673	-0.223	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)[C@@H]2COC[C@@H]21	1955236676	FPFXOBYQLSQFKO-GJMOJQLCSA-N	219.668	-0.167	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1(C)CC1	1961689519	ADICRBLDVOTOAL-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
Cc1nc(C)n(-c2nc(B(O)O)cs2)n1	1961722548	HXKOJILMVBTNHM-UHFFFAOYSA-N	224.054	-0.980	50	10	BBGE	
CC1(C#N)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1962716371	UDBSFUNTNMAWNG-HTQZYQBOSA-N	208.265	-0.542	50	10	BBGE	
C[C@H](CN1CCC[C@](F)(CO)C1)C(=O)NN	1975526806	JAEKGXXCQMQAOU-PSASIEDQSA-N	233.287	-0.591	50	10	BBGE	
N#CC1CN(Cc2ccoc2C(=O)NN)C1	1978712823	ZFDLYUPBDGSJJV-UHFFFAOYSA-N	220.232	-0.162	50	10	BBGE	
O=C(CCl)NC(=O)NC1CN(C2COC2)C1	1981037701	NHFLMAFIBDVIPP-UHFFFAOYSA-N	247.682	-0.866	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1ncc(B(O)O)cn1	1981409081	IOGYPTBEROLQOL-SFYZADRCSA-N	221.069	-0.609	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H](C)C(C)C)n1	1981418830	PEZFMHPABSGTHJ-SSDOTTSWSA-N	224.069	-0.112	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C[C@@H](O)CO)CC1	1983999482	XOSFUGABOYKEBJ-VHSXEESVSA-N	247.726	-0.912	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ncn(C)n1	1984080435	YZXNSPDXLXXYIL-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
O[C@H]1[C@H]2C[C@H](CN(CCOCCCl)C2)[C@H]1O	1985763272	TZQRPLBSQIFRRP-DTIDVZRVSA-N	249.738	-0.085	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1989120350	YGMASWYOSGRPNR-IUCAKERBSA-N	229.324	-0.154	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990042051	ZTHUGICCZFMSJJ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@H]1CCNC1=O	1991286020	MWDOUBHUILCPPW-PHDIDXHHSA-N	247.682	-0.424	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCC(=O)NC1=O	1991651174	GXFMWUYSDIYZRJ-YFKPBYRVSA-N	244.634	-0.771	50	10	BBGE	
C=C(CN(C)[C@H](C)c1cncn1C)B(O)O	1992153520	PJTJMZHAEAIKHK-SECBINFHSA-N	223.085	-0.019	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1	1992373780	LCNQRXZTSJJVPW-GENCIFFESA-N	225.292	-0.241	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cnc2c(N)ncnc21	1995630730	WXBOUHUQJDVHER-YFKPBYRVSA-N	235.251	-0.651	50	10	BBGE	
C[C@H](CN(C)CCCn1ccnc1)C(=O)NN	2003834656	GYCDQZJSSMHRAH-SNVBAGLBSA-N	239.323	-0.169	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@](C)(C#N)C1	2004358380	IXQHRIGKEAENLF-ONGXEEELSA-N	240.307	-0.383	50	10	BBGE	
CN(CCOCC(=O)NN)CCn1cccc1	2004424899	IOUYKGJENRXQSH-UHFFFAOYSA-N	240.307	-0.574	50	10	BBGE	
CC[C@H]1CC(=O)N(CCOCC(=O)NN)[C@H]1C	2004514364	OUHJLALQOKBXKL-IUCAKERBSA-N	243.307	-0.360	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](F)C2(O)CNC2)CC1	2004717807	JDRVLCQPQVTKIU-VIFPVBQESA-N	239.250	-0.659	50	10	BBGE	
Cc1ncnc(N2CCCC2(C)C)c1B(O)O	2004972198	BSXZQJPRACMURX-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(=O)NCC1(C)C	2006926072	SIJPMDQZBKVJEB-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC(O)C[C@H]2C1	2012903317	RFPWAEJCXLDLSX-BQBZGAKWSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@@H]2CC[C@H]21	2015990595	PFOAEDQAIUVAAJ-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCN(C)C1	2019209921	MKJXSTMIGZQMRU-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cc(C)no1	2019218827	HMIRIEYCPMWTEM-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020057320	STGZWNHFGXEESZ-VHSXEESVSA-N	238.096	-0.702	50	10	BBGE	
Cn1cnc(C(=O)N[C@H]2CCC=C2B(O)O)c1	2020062821	UUAUYINCJGIHKD-QMMMGPOBSA-N	235.052	-0.749	50	10	BBGE	
O=C(NCC=CB(O)O)C1C[C@@H]2CC[C@H](C1)O2	2020063823	ZDLHUTXLQJXHRQ-PBINXNQUSA-N	239.080	-0.372	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H](C2)O3)ncc1B(O)O	2021435920	SWYYMLYGPPQXGW-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccccc2B(O)O)[C@H]1C	2022196085	GLMCIMWTJVQAFB-YUMQZZPRSA-N	233.076	-0.249	50	10	BBGE	
NC(=O)c1ccc(C=CC(=O)NNCCO)cc1	2031839958	PHGMZTYSZFFNNN-UHFFFAOYSA-N	249.270	-0.588	50	10	BBGE	
Cc1cc(N2CCN(C)C[C@@H]2C)ncc1B(O)O	2052472634	MYAKZZVQHXQUJO-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]2CN(C)C)n1	2052551639	HZUWQHCBDYTTEM-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CC(C)Oc1cnn(-c2ccncc2B(O)O)c1	2052602118	GCGRFVBABLYVGI-UHFFFAOYSA-N	247.063	-0.266	50	10	BBGE	
COc1c(B(O)O)ccc(C#N)c1OC(F)F	2060293105	RUXUIECPLOYYDC-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
CS(C)(=O)=NCc1ccc(B(O)O)s1	2209686880	VYILLHYTQDYUQT-UHFFFAOYSA-N	233.123	-0.345	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C)C2)cc1B(O)O	2212605276	BBUGWAQMKNYOHG-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213025293	JVEWQQITFYTBTO-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
O=C1CN(c2cnn3c2OCCC3)CC(=O)O1	2215713682	RSLCNVZXNUJVQM-UHFFFAOYSA-N	237.215	-0.445	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C(=O)CCCC1=O	2215771881	KLSQXOFMCJEQIJ-SFYZADRCSA-N	239.275	-0.458	50	10	BBGE	
COCC(COC)OC[C@H]1CC[C@H]1C(=O)NN	2215776562	NNBQWXBJOVQYNS-PSASIEDQSA-N	246.307	-0.320	50	10	BBGE	
CN1CCC[C@H]1COc1ncccc1B(O)O	2215828513	KHBQVAXUQKHMIL-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@@H](F)C2)CCC1	2216530663	RJEGBTYXOCZEMB-IUCAKERBSA-N	245.298	-0.449	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNc1cc(B(O)O)ccn1	2217174056	WAXHRBIBQAVREO-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
C#C[C@H](CC(C)C)Nc1ncc(B(O)O)cn1	2217175795	NIWRXNQPUJZTBK-SNVBAGLBSA-N	233.080	-0.384	50	10	BBGE	
OB(O)c1ccnc(NN2CCCCC2)c1F	2217179962	PKGZHYRJWUXREV-UHFFFAOYSA-N	239.059	-0.287	50	10	BBGE	
CCO[C@H]1C[C@H](Nc2ncccc2B(O)O)C1	2217181193	NTSSSJGIGQLIIA-KYZUINATSA-N	236.080	-0.259	50	10	BBGE	
NC[C@H]1C[C@H](Oc2nccc(B(O)O)c2F)C1	2217187617	BGAGRUZTWFCHHL-LJGSYFOKSA-N	240.043	-0.983	50	10	BBGE	
OB(O)c1ccnc(NCC2=CCCOC2)c1	2217196157	PZDOSSXGLIVQKM-UHFFFAOYSA-N	234.064	-0.480	50	10	BBGE	
OB(O)c1ccc(NC23CCN(CC2)C3)nc1	2217202806	ZZBKVQAUTZGYRA-UHFFFAOYSA-N	233.080	-0.979	50	10	BBGE	
OB(O)c1ccnc(NCCc2ccon2)c1	2217204563	LSVXWVBZUHCDPR-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
C[C@@H](CCn1cc(B(O)O)cnc1=O)C(F)F	2217409045	NWRUZBDJUNSVSK-LURJTMIESA-N	246.022	-0.786	50	10	BBGE	
CC1(C)CNCCN1Cc1cccc(B(O)O)c1	2220065647	QHUFPGVLPLTAIC-UHFFFAOYSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CC[C@@H](CNC1)C2	2223675770	UBEDLRFLNMYTSY-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
N[C@@H]1CCCC12CN(c1ccc(B(O)O)cn1)C2	2223679186	MIGYZTZUPYZBIE-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1nncs1	2243282752	AISARWXLQKRJOJ-QMMMGPOBSA-N	243.336	-0.016	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cscc1B(O)O	2243349290	JDCSKMFPSVNZTP-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
C[C@@H](C#N)CN(C(=O)C#CB(O)O)C1CC1	2243363013	ZVZOYTHXROKLFS-QMMMGPOBSA-N	220.037	-0.848	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1occc1B(O)O	2243363166	BVGDEYLAUUVQKL-BQBZGAKWSA-N	223.037	-0.655	50	10	BBGE	
C#CCCNC(=O)c1cc(C)sc1B(O)O	2243378789	ZIRUNNWGKQKPEB-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
CO[C@]1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243397031	UOAUCAWCRZRUHR-QXFUBDJGSA-N	227.069	-0.513	50	10	BBGE	
CCN[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2243397198	XCPQRGSENYXNLT-UEJVZZJDSA-N	228.101	-0.646	50	10	BBGE	
N#CCCN(C(=O)C1(B(O)O)CC1)C1CC1	2243398506	QMAVUWGCQCAIEF-UHFFFAOYSA-N	222.053	-0.102	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2243408428	NANNGJSORXWJLJ-ZETCQYMHSA-N	222.053	-0.991	50	10	BBGE	
Cn1ccc(CNC(=O)C2(B(O)O)CC2)n1	2243410438	BNLNAMPEQPYJJY-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
COCCC1CN(C(=O)C2(B(O)O)CC2)C1	2243410685	GEGPDMJPJGNAPO-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243427153	RBUNXUJTCPTDAT-NKWVEPMBSA-N	229.085	-0.485	50	10	BBGE	
C#CC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2243678651	MCOICZOEQKVXJJ-QMMMGPOBSA-N	217.033	-0.823	50	10	BBGE	
C=C[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243758180	BICUTIJWOKJONX-ZCFIWIBFSA-N	227.025	-0.861	50	10	BBGE	
C[C@@H](CF)N(C)c1nccc(B(O)O)c1F	2244124841	GGBXNTIMHFQKOJ-LURJTMIESA-N	230.023	-0.305	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](P(C)(C)=O)C1	2245232759	XMTBGHNYIREXFI-YUMQZZPRSA-N	249.251	-0.354	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ccnnc1	2245403838	XHDGXMHJYABGMS-VIFPVBQESA-N	223.280	-0.323	50	10	BBGE	
Cc1nc(OCCOC(F)F)ncc1B(O)O	2246673683	UBNMZADGZFQNTM-UHFFFAOYSA-N	247.994	-0.917	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1ccoc1B(O)O	2247737897	LMXOZNJBVZJVGQ-QUBYGPBYSA-N	241.027	-0.563	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H](C2CC2)O1	2247740810	PZCYZBOMHPQTPJ-VHSXEESVSA-N	237.064	-0.924	50	10	BBGE	
NC[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247755602	IZVOFAQPMAZIDF-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
N#Cc1cnc(NC(=O)C2(B(O)O)CC2)cn1	2247758869	YFAJJMSPQQFUFA-UHFFFAOYSA-N	232.008	-0.706	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1scc(B(O)O)c1C	2247786547	CCDIKLNYFSHYGB-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
CN(C)CC1CN(C(=O)C2CC(B(O)O)C2)C1	2247806044	CYOCZFQBDQPQQD-UHFFFAOYSA-N	240.112	-0.741	50	10	BBGE	
C=COCCCNC(=O)c1ccc(B(O)O)o1	2247848794	QKFGSDFLKVQVTQ-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1C[C@H]2O	2247859858	QGOJPUHZZOSRMS-KZCAZGHVSA-N	239.080	-0.779	50	10	BBGE	
Cc1cc(NC(=O)[C@H](C)CO)cc(B(O)O)c1	2248440026	DFSOZRXUIQBLOI-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC=CCCC1	2255449314	MBTKEHSINQKDQO-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C[C@@H]1CCC=C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2255553792	CTBHDZVXWMVJCH-APPZFPTMSA-N	249.079	-0.826	50	10	BBGE	
CN(Cc1ccc(=N)[nH]c1)C(=O)[C@@H]1C[C@@H]1B(O)O	2255571512	PKLQKAWBKFUQST-BDAKNGLRSA-N	249.079	-0.685	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@H](C)C#N	2255689011	DFUSUTHTXJETHH-MRVPVSSYSA-N	246.075	-0.436	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cncc(B(O)O)c2)[C@H]1C	2255717227	IYZSFEDYJIQGPJ-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
C#CCN(C(=O)c1cncc(B(O)O)c1)C(C)C	2255717268	XGRLZAXYDNMIKB-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1nccnc1B(O)O	2256050074	ANJNWUAZWUQBEZ-QMMMGPOBSA-N	249.079	-0.759	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC=CC[C@H]21	2258123129	LHPJIGWJWDNTHG-LDYMZIIASA-N	247.059	-0.250	50	10	BBGE	
CN1CC[C@@H]1COC[C@H]1CC[C@H](C(=O)NN)O1	2299039620	HASYVPNKSJJZEA-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2300375746	XFFXDXQALNKUED-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
CCN1CCO[C@@H](CN2CC[C@H](B(O)O)C2)C1	2303098832	HLUPSKRVUJITAJ-WDEREUQCSA-N	242.128	-0.744	50	10	BBGE	
COCc1cc(CN2CC[C@H](B(O)O)C2)on1	2303159557	QSZBYXZIYXLMBO-QMMMGPOBSA-N	240.068	-0.130	50	10	BBGE	
OB(O)c1cc(N2CCC(F)(F)C2)ncc1F	2303836639	OYPTYVCVJOPXGY-UHFFFAOYSA-N	245.997	-0.254	50	10	BBGE	
C#CCN(CC1CC1)c1cc(B(O)O)c(F)cn1	2320788518	RBHFVXFNCSUSMY-UHFFFAOYSA-N	248.066	-0.250	50	10	BBGE	
CN(CCc1ccncc1)C(=O)C(=O)NN	48260890	VQEQRKLAZPRDLR-UHFFFAOYSA-N	222.248	-0.928	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCOCC1	82467951	SOOHEBREVAXWKQ-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H]1COCCN1C[C@@H](C)C(=O)NN	82468030	FYCWUVMWZQCOGJ-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)[C@@H]1CCN(C(=O)NC(=O)CCl)C1	87416498	IUPVLOJKCSIMMY-ZCFIWIBFSA-N	248.666	-0.044	50	10	BBGE	
O=C(CCCl)NCCc1nnn[nH]1	95120487	DNNVKLVSRCQGSE-UHFFFAOYSA-N	203.633	-0.513	50	10	BBGE	
CSC[C@@H](C)C(=O)NNC(=O)c1c[nH]nn1	108994999	BMRQKKTXVNCALN-RXMQYKEDSA-N	243.292	-0.435	50	10	BBGE	
CN(CC(=O)NN)CC1(O)CCCC1	162483401	REJOMVGHGBVKBW-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CCOCCON1C=CC(B(O)O)=CN1	197154006	GKMCHOOHOJRRNI-UHFFFAOYSA-N	214.030	-0.816	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCNC	212015577	ATFWHSRUTKFKQM-MRVPVSSYSA-N	202.302	-0.704	50	10	BBGE	
COC[C@H](S[C@@H]1CCO[C@@H]1C)C(=O)NN	234714860	YLAUMXWROMRHNZ-PRJMDXOYSA-N	234.321	-0.098	50	10	BBGE	
Cn1ccc([C@@H]2C(=O)NC(=O)[C@H]2Cl)n1	236113261	HYZHYDXPJLBOCG-WDSKDSINSA-N	213.624	-0.233	50	10	BBGE	
COc1cc(OC(F)F)ccc1B(O)O	238402852	LOLXAWPUEIZJFZ-UHFFFAOYSA-N	217.964	-0.024	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@H](C)CCC(=O)NN)C1	252799851	UMAFRFWCBLRKDE-PSASIEDQSA-N	242.323	-0.645	50	10	BBGE	
CN1CCC[C@H](COCC(=O)NN(C)C)C1	259023829	QFEWUYFLVZSSHZ-JTQLQIEISA-N	229.324	-0.062	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1CO	299906958	GEYBRCBTQCXVQQ-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCCO1	299998530	RGXZAAUSQYIZFI-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
NCCNC(=O)c1cnn(CCCl)c1	380134201	XIWAVGBAPFHHNP-UHFFFAOYSA-N	216.672	-0.190	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(CO)C1	381372660	MZUJTRQZIZQRQB-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@H]2CO3)c1	387726146	MZOSANSQAUIJSO-WCBMZHEXSA-N	237.259	-0.144	50	10	BBGE	
C[C@@H]1CN(CCC(C)(C)C(=O)NN)C[C@H]1O	388412760	XJBQAOUPQYGZJH-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1O	388639472	QBNHJNUAJBVSAQ-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
CC(=O)NC1CN(C(=O)NC(=O)[C@H](C)Cl)C1	388937861	WVRRQIYJAQXLKS-YFKPBYRVSA-N	247.682	-0.330	50	10	BBGE	
NCC(=O)NCC(=O)N1CCSSCC1	389648882	UVXOTNOJOJNLIF-UHFFFAOYSA-N	249.361	-0.715	50	10	BBGE	
CN1CC2(CCN(CC(C)(C)C(=O)NN)C2)C1	398654820	BUOXKPLFQKQOQR-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)C[S@@](C)=O	399981005	OBKWZSLLSJSQBP-FHZAEYJHSA-N	221.326	-0.936	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCCC(=O)NN)CO1	401516934	KYSXZIDHUWYOTR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccnc(B(O)O)c1	404978988	MTRDTRIAXVTNRR-OAHLLOKOSA-N	228.082	-0.755	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)Nc2ccccc2B(O)O)CO1	404992904	DEJAMOCXENPULJ-DTWKUNHWSA-N	249.075	-0.270	50	10	BBGE	
NNC(=O)[C@@H]1OCC[C@H]1Cn1cccc1	675058380	CLZBELSYCKYGBK-DTWKUNHWSA-N	209.249	-0.117	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](CO)CC[C@@H]1C	688756683	VDEVRZPYKSWORT-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2COC[C@H]2C1	690721277	FGEUZJFBHSGTPI-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C(C)(C)CCO	691094585	IMYDGDPURWNRFY-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCCC2)C1	697801008	OHPSDQFTBJEQLO-QMMMGPOBSA-N	212.297	-0.855	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H](F)C2)cc1	701605232	JSEKLKLMSLALCY-NSHDSACASA-N	223.056	-0.090	50	10	BBGE	
CCOC[C@H]1CN(C(=O)NN)CCO1	705868488	AKRDHHDANMRSOJ-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]3C[C@@H]32)O1	706969483	BKUGTKIFWULRPK-JXUBOQSCSA-N	225.292	-0.382	50	10	BBGE	
CCC1(O)CCN([C@H](C)C(=O)NN)CC1	707246722	GVXUFYVYFJOHCK-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710208648	GHIMUZZOGUQHIP-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
COc1cc(B(O)O)ccc1N[S@](C)=O	712395824	ZDQDCCXEXCGPRX-HNNXBMFYSA-N	229.066	-0.920	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H](CO)CN(C)C	716787789	WSXYNOFSJKNDRU-HTQZYQBOSA-N	222.716	-0.100	50	10	BBGE	
CC1(C)CC[C@@H](C(=O)NNC(=O)CO)O1	787912353	NEXYVTOEQXQVIR-LURJTMIESA-N	216.237	-0.916	50	10	BBGE	
C[C@@H](CO)[C@@H]1CCCCN1CCC(=O)NN	829255031	WNAKYNXZNVYTBN-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)N(C)C	847403128	REJMFZNGXOEHNI-VIFPVBQESA-N	217.269	-0.303	50	10	BBGE	
CC1(F)CN(C(=O)c2cccc(B(O)O)c2)C1	867915165	GTVJJOBVJSBRDL-UHFFFAOYSA-N	237.039	-0.450	50	10	BBGE	
CCO[C@H]1[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@H]1C	907627679	SRHSQHCYMWSUDR-GJMOJQLCSA-N	244.291	-0.424	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=S)NC(C)C	1135707673	TXFZWRIHSKAZQJ-RNFRBKRXSA-N	231.321	-0.075	50	10	BBGE	
CCCNC(=O)NNC(=O)CCCCC(N)=O	1325929525	JWJSOOGSOWQRLC-UHFFFAOYSA-N	244.295	-0.228	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)Cc1ccccn1	1328207401	BSUBZUVPEUMVLU-GFCCVEGCSA-N	249.270	-0.292	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cn(C)nn1	1329350145	CKRVHZGKWPNBAG-ZCFIWIBFSA-N	236.235	-0.874	50	10	BBGE	
Cc1cc(NNC(=O)[C@H]2CCOC2)nc(N)n1	1558034090	OJWOHXZAMGZJSQ-ZETCQYMHSA-N	237.263	-0.153	50	10	BBGE	
CN(NC(=O)C1=C[S@](=O)CCC1)C(N)=O	1623319560	DAQPBKWZAZZZSA-OAHLLOKOSA-N	231.277	-0.546	50	10	BBGE	
O=C[C@@H](O)C(=O)NCCCBr	1866092594	WGQWYGMREAQYDB-RXMQYKEDSA-N	224.054	-0.553	50	10	BBGE	
NCC(=O)N[C@H]1C[C@@H](Br)C1	1880045636	KRXSKHSWIKQKTG-SYDPRGILSA-N	207.071	-0.013	50	10	BBGE	
NS(=O)(=O)CCNC[C@H]1C[C@H]1Cl	1881365685	NFXVFEZZKWJJQH-PHDIDXHHSA-N	212.702	-0.508	50	10	BBGE	
CC(=O)NNC(=O)c1c[nH]nc1Br	1883044198	FACHIGWSOOMDAP-UHFFFAOYSA-N	247.052	-0.047	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@@H]2Cl)COC1	1883568973	ZGTCQDQNHKESOE-RITPCOANSA-N	204.657	-0.542	50	10	BBGE	
CCn1nnc(CNC(=O)CBr)n1	1883719333	CQLKSQYUEPSBKL-UHFFFAOYSA-N	248.084	-0.296	50	10	BBGE	
COC[C@@H](SCC(C)(C)O)C(=O)NN	1887130601	BEDNZRWFPUTIFJ-ZCFIWIBFSA-N	222.310	-0.505	50	10	BBGE	
CNC(=O)NN(C)S(=O)(=O)C(C)C	1888571338	GRYBTKSAECSXNK-UHFFFAOYSA-N	209.271	-0.500	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@H]1CNCCO1	1893107867	OXFCHJDUHANNQA-BIIVOSGPSA-N	218.684	-0.282	50	10	BBGE	
O=C(NC1(C(=O)O)COC1)[C@@H]1C[C@H]1Cl	1893453023	KBKJTWGSDLKHEW-RFZPGFLSSA-N	219.624	-0.417	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCS(=O)CC1	1893498053	OQMRNIBTWUYXTF-OWOJBTEDSA-N	235.692	-0.101	50	10	BBGE	
COc1cc([C@@H](N)[C@@H](O)C#N)c(OC)cn1	1894485942	MFCLVWFQXYRJHC-OIBJUYFYSA-N	223.232	-0.017	50	10	BBGE	
COCCN1C[C@@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1897145099	BGRSBSPXSGCAMU-LMLFDSFASA-N	248.754	-0.105	50	10	BBGE	
COC[C@@H](O[C@H]1CC1(C)C)C(=O)NN	1900686296	LKQRQCZTLUJWNT-RQJHMYQMSA-N	202.254	-0.194	50	10	BBGE	
CN(NC(=O)CC1(N)CC1)S(=O)(=O)C1CC1	1901358828	FPDFDXWWDQUOOR-UHFFFAOYSA-N	247.320	-0.677	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3C[C@H]3CO2)C1	1902505868	MMCHOVRQJNUHBU-MMWGEVLESA-N	225.097	-0.040	50	10	BBGE	
CC(C)OCC(=O)N1CC[C@](C)(B(O)O)C1	1902514893	YZCAOFALMIBDKX-JTQLQIEISA-N	229.085	-0.123	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1O[C@H]2CC[C@H]1C2	1905139933	WCYLPYJVBLNWBT-KATARQTJSA-N	227.308	-0.136	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O	1906623175	NPQAAYJTOMFFCI-XSPKLOCKSA-N	242.275	-0.654	50	10	BBGE	
C[C@H]1C(C(=O)Nc2ccnc(B(O)O)c2)[C@@H]1C	1907974963	UMHWPMYIBMTSPX-RNFRBKRXSA-N	234.064	-0.398	50	10	BBGE	
CN(Cc1ccncc1)c1ncc(B(O)O)cn1	1912142784	USLYYSMNHHRDQU-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914256664	RKWISQXIXQLCKB-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
NNC(=O)N1C[C@@H](O)C[C@@]2(CCCO2)C1	1924295179	JDGFOYBDKDLOKK-CBAPKCEASA-N	215.253	-0.815	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1CNC(=O)CCl	1924622338	LRXDXGNJAAPJRH-YUMQZZPRSA-N	220.700	-0.082	50	10	BBGE	
C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Cl	1928696483	NZMCWFYKIKINNZ-RITPCOANSA-N	217.660	-0.195	50	10	BBGE	
Cc1nc(=NC(=O)NC(=O)CCl)[nH]n1C	1929099112	CACQGWMCGMHSKF-UHFFFAOYSA-N	231.643	-0.568	50	10	BBGE	
C[C@@H](N)CSC[C@@H]1C[C@H]1C(=O)NN	1931384717	HINZCBDMXMHQJJ-DSYKOEDSSA-N	203.311	-0.307	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1932248715	MFUPYQRWTKPNDY-YSSBGUOXSA-N	209.293	-0.046	50	10	BBGE	
CO[C@H]1CNC[C@@H](C(=O)NN(C)C)C1	1934668635	JSXKXIDNXDHOAG-JGVFFNPUSA-N	201.270	-0.796	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1CC1(F)F	1937013173	UJGGRBNOQUGIPQ-VKHMYHEASA-N	248.019	-0.583	50	10	BBGE	
NNC(=O)C(=O)NC1(C(F)(F)F)CCCC1	1937215561	CNFYLMFRJARJIW-UHFFFAOYSA-N	239.197	-0.032	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC(F)(F)CO	1938127331	LDOVLBQLTXAICJ-BQBZGAKWSA-N	237.250	-0.828	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCn1ccc(B(O)O)n1	1940044118	IYUQBLJUBJSMSF-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1C(=O)N(C)C	1940292282	VCCIHFBJKKTGSN-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC[C@@H]2C1	1941082502	ZRWLZCQRYCLMNS-HBNTYKKESA-N	238.335	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@@H]1C	1944297586	GNPAYQDEILPZMS-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
CCC[C@]1(O)CCN([C@H](COC)C(=O)NN)C1	1945564524	OTPROQPPAOOALV-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CN1CCC(N2CC[C@@H](B(O)O)C2)CC1	1951321100	YPUQCHQRISAMMR-SECBINFHSA-N	212.102	-0.371	50	10	BBGE	
O[C@@H]1[C@H]2C[C@@H]([C@H]1O)N(CCBr)C2	1953513429	SOOGLXOHBBLZEB-RULNZFCNSA-N	236.109	-0.193	50	10	BBGE	
CNC(=O)CCN(C)C[C@@H](O)CCl	1954820088	BMEVEYOYOHTCNU-ZETCQYMHSA-N	208.689	-0.346	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955547282	NEUSUARMBVJHRE-QKAWAISNSA-N	216.668	-0.457	50	10	BBGE	
OB(O)c1csc(Sc2ncns2)n1	1956963073	BAHNJTSNUXPOSI-UHFFFAOYSA-N	245.119	-0.174	50	10	BBGE	
CS(=O)(=O)CC(=O)N1CC(F)(CCl)C1	1956994851	HWKOPKRDGCZWIG-UHFFFAOYSA-N	243.687	-0.180	50	10	BBGE	
CC[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1958870805	SAJLNSASCSMDGC-PHDIDXHHSA-N	217.030	-0.925	50	10	BBGE	
O=C1NC[C@H]2CN(C[C@@H](O)CCl)CC[C@@H]12	1960164911	BFZNNHQKKUKFSM-XHNCKOQMSA-N	232.711	-0.346	50	10	BBGE	
CN(c1ncccc1B(O)O)C(C)(C)C	1961694684	ROLDDFFXODAGFC-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1nc(B(O)O)cs1	1961717989	ITTDCKSYJDBMBB-RITPCOANSA-N	230.073	-0.240	50	10	BBGE	
C[C@H]1CSCCN1c1nc(B(O)O)cs1	1961718806	UINKOQVPNXNDIC-LURJTMIESA-N	244.150	-0.235	50	10	BBGE	
NNC(=O)C(=O)NCc1ncc(C2CC2)o1	1976809265	VUIXGHDAXAFVEC-UHFFFAOYSA-N	224.220	-0.842	50	10	BBGE	
CC[C@H]1CCN(c2ncncc2B(O)O)C1	1981413328	FNXBLSUZNNJHMQ-QMMMGPOBSA-N	221.069	-0.607	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1	1982341146	SCXDEVPESKJNLX-ACZMJKKPSA-N	244.678	-0.265	50	10	BBGE	
OB(O)c1cccc(OCCOCCF)c1	1985995508	PSWSIVKFLJOFIA-UHFFFAOYSA-N	228.028	-0.269	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H]2CF)O1	1986086773	LYNXQZNZQITBBB-CIUDSAMLSA-N	231.271	-0.432	50	10	BBGE	
CC(C)(C)[C@@H]1COCCN1C(=O)C(=O)NN	1989442556	RSIRXZZNMLZICU-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN(C)OCC(F)(F)F	1990776113	GBFJTKVOLMQPFP-UHFFFAOYSA-N	243.185	-0.421	50	10	BBGE	
CCC[C@H](COC)C(=O)NCC#CB(O)O	1992142933	MBEYJVDMOUUIQL-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1CO	1994834982	WYKHQYQWYOVESA-IVZWLZJFSA-N	229.324	-0.437	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1[C@H]2CCC[C@H]21	2002184315	GZBDPJPPZLTRJR-ULAWRXDQSA-N	241.052	-0.925	50	10	BBGE	
CN(C[C@H](O)C1CCCCC1)C(=O)C(=O)NN	2002369417	DFRHZMZMEWTQJQ-VIFPVBQESA-N	243.307	-0.624	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@@H]1CCCNC1=O	2004311856	QXEPGZMQZPKNQJ-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CCO3)C2)cc1	2004491400	UFUGLCPVIWAXNT-UHFFFAOYSA-N	233.076	-0.659	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)[C@@H](C)C1	2004912186	PWGRVYWWJXDCHK-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1CCCCO1	2004928512	DVFUXNKJGPZTRK-MRVPVSSYSA-N	238.052	-0.896	50	10	BBGE	
CCOC[C@H](C)Oc1ncc(B(O)O)cc1F	2004929383	KKQKWNJDRRFDOM-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
OB(O)c1cccnc1OCC1CCOCC1	2004950312	DNTNKQGYDRDEJQ-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ccc(B(O)O)cn1	2009677239	UNJLRKOYXQVVBW-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
CCCC(=O)N1CCN([C@H](C)C(=O)NN)CC1	2011419955	NMTBVUHUJMKVRT-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](C(=O)O)OCC12CC2	2012199677	HCWJCPNLMVAGPE-SSDOTTSWSA-N	243.263	-0.509	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1ncc(B(O)O)cc1F	2014734684	IWWDRRFNFBIAFA-SVRRBLITSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@H]1CCC[C@@H](C(=O)NN)O1	2018242094	BEJUMYCNBYSCIY-HLTSFMKQSA-N	241.291	-0.465	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](O)C1(C)C	2020108082	ZUSHDHQZNNXBBY-VIFPVBQESA-N	243.307	-0.611	50	10	BBGE	
C#CCCN1CC[C@H](N2CC(=O)OC(=O)C2)C1	2024487833	CRZFMELMDULMDY-JTQLQIEISA-N	236.271	-0.531	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)CC(=O)NN)ncn1	2025895570	MMRAHIYKDNOQGR-SECBINFHSA-N	237.307	-0.015	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COc1ccccc1C(N)=O	2028046205	UKEZZLFMCVIMLS-IONNQARKSA-N	249.270	-0.210	50	10	BBGE	
Cc1ncc(OCc2cnn(C)c2)cc1B(O)O	2031604197	KVQUSZVVTUDDCG-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1cc(N(C)c2cnn(C)c2)ncc1B(O)O	2052627946	SRLJRQMDTZPEIH-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
O=Cc1cc(Cl)c([N+](=O)[O-])cc1B(O)O	2060132386	CHOWOIAENYLFCR-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
C=C(CN1C[C@@H]2[C@@H](C[C@H]2OCC)C1)B(O)O	2210599829	AKLOQMVUXFCQEL-HBNTYKKESA-N	225.097	-0.089	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H](O)C[C@@H](F)C1	2210691870	NUTBTEFKJVMWSC-KDXUFGMBSA-N	231.271	-0.983	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@]1(C)CO	2211783794	WUBJDPSKTMCOPS-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccncc1=O	2211838745	LAXPTHOUJWSNRM-SFYZADRCSA-N	222.248	-0.741	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1C[C@@H]2C[C@@H]2C1	2212325891	GGXUACFLXFQDNK-MYJAWHEDSA-N	227.308	-0.277	50	10	BBGE	
C#CCN(CC)c1nccc(B(O)O)c1F	2212604298	NPUOWHMVHOGIMO-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
Cn1cc(Nc2ncccc2B(O)O)cn1	2212610216	FDFWGHZWQZKNFL-UHFFFAOYSA-N	218.025	-0.762	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1cc(B(O)O)ccn1	2212610734	OBUGHONLFFOGBC-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2213027307	NHNOZTHSHZXFBC-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
CC(C)[C@](C)(O)CNc1ccc(B(O)O)cn1	2217183347	HQQBMKOHIUWKPE-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
Cc1cnc(N[C@@H](C)CN(C)C)cc1B(O)O	2217183930	PBDOMTPGMDDGKW-VIFPVBQESA-N	237.112	-0.568	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217329036	DOZZCNAWQQCCBG-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N2C[C@H](N)CC2(C)C)cc1B(O)O	2223652050	GAQDZMPIVBMNMI-SECBINFHSA-N	249.123	-0.614	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@]12COc1ccc(B(O)O)cn1	2223652201	CTNBZRACJITGJB-HLUHBDAQSA-N	248.091	-0.732	50	10	BBGE	
CON(C(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2241496287	QZCKVPCBQASNTK-NKWVEPMBSA-N	201.031	-0.352	50	10	BBGE	
C[C@H]1COC(C)(C)CN1CC(=O)NN	2241569963	DLOFRZMFDDEEEU-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CC(=O)NNC(=O)Cc1csc(=N)[nH]1	2241583392	XDFXPVURZNTHCH-UHFFFAOYSA-N	214.250	-0.735	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)[C@H]1C[C@@H]1B(O)O	2241663924	KRXPAWNGFAAYBO-AXMZGBSTSA-N	217.461	-0.265	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1nscc1B(O)O	2243347561	NTLLVVWZSGBWCI-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)s1	2243349552	NBKUOCUIGSQBCG-PHDIDXHHSA-N	237.089	-0.434	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)c(Cl)c1	2243350083	VGXYMGGZWVXGRQ-UHFFFAOYSA-N	239.423	-0.001	50	10	BBGE	
CC(C)CN(C)C(=O)c1cc(B(O)O)c[nH]1	2243356575	JVIZSKJYKJGSHE-UHFFFAOYSA-N	224.069	-0.578	50	10	BBGE	
NCCC1CN(C(=O)C2(B(O)O)CCC2)C1	2243364256	UBCUEOCBWHGSGA-UHFFFAOYSA-N	226.085	-0.809	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243391761	NZEVYAHCBJQBBP-RYPBNFRJSA-N	227.069	-0.921	50	10	BBGE	
C[S@](=O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396953	SWFKCVCYLSZSQQ-UFIJUMAVSA-N	247.125	-0.876	50	10	BBGE	
C[C@@]1(NC(=O)C#CB(O)O)CCC(F)(F)C1	2243400693	GLBWMGOJYFXPEM-MRVPVSSYSA-N	231.007	-0.304	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)N	2243404695	SGFOQTUVMNKGDT-FXQIFTODSA-N	228.101	-0.519	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)C1)C1CC(B(O)O)C1	2243414278	XLJZJBBQVLPIJI-VATVDVGSSA-N	227.069	-0.874	50	10	BBGE	
CCCCN(O)C(=O)c1sncc1B(O)O	2243414634	FMIOTTWSJSZNKU-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
NCCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243427294	SSRCCCXATJPPDL-KYZUINATSA-N	226.085	-0.953	50	10	BBGE	
C=CCC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1	2243685672	ZQIISVRQJFXMDE-UHFFFAOYSA-N	240.455	-0.649	50	10	BBGE	
C=CC1CN(C(=O)c2cscc2B(O)O)C1	2245434674	FHHUBGJWAFVVRV-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
Cc1ccc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH]n1	2245996181	WNJFJIBYNYJQEA-NKWVEPMBSA-N	221.025	-0.992	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C#CB(O)O)C1(C)C	2247737179	DLSJOEOTJMAHCB-BDAKNGLRSA-N	239.080	-0.821	50	10	BBGE	
CC1(CNC(=O)c2ncccc2B(O)O)CC1	2247769063	DEWREKKWLODAIW-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC12CC(CO)C2	2247805406	BPISZIMNJIODAG-VCZAYRLQSA-N	239.080	-0.777	50	10	BBGE	
CCc1ocnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247808240	KIBIMXXKPLDGES-BQBZGAKWSA-N	238.052	-0.284	50	10	BBGE	
Cc1nc[nH]c1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247810553	YHSVQRBKNXDLPD-HTQZYQBOSA-N	237.068	-0.461	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1F	2247870133	FKHDHBOYXZQUST-RCOVLWMOSA-N	237.039	-0.356	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCC(F)F	2247873217	GWJWPJZSXVPDBI-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
O=C(NCCCc1cnoc1)C1(B(O)O)CC1	2247873541	DDOFCESNNXFUIX-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@@H]2C)c1	2247873783	GSLZEIJXVHFBMG-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
CC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCOCC1	2247897692	WCTPQNLNVNCSQY-BDAKNGLRSA-N	241.096	-0.218	50	10	BBGE	
CN1CCOC[C@@H]1CN1CCC(O)(C#N)CC1	2248056896	KCPNDMPDYKAJQE-NSHDSACASA-N	239.319	-0.333	50	10	BBGE	
CCC[C@H](C)NC(=O)c1nccnc1B(O)O	2248062926	GGWQOSOAEZWOHJ-ZETCQYMHSA-N	237.068	-0.925	50	10	BBGE	
CCC(CC)(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248574844	VIPIJVFSJDISRY-NKWVEPMBSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2248577584	KGGGAKQBQWERKN-CSMHCCOUSA-N	241.052	-0.781	50	10	BBGE	
CC(C)(C)N(CC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248586231	XSJJYRYKGJPYMC-RQJHMYQMSA-N	243.068	-0.439	50	10	BBGE	
O=C(O)CC1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248586880	IMXRDNUQCMSNCF-CRYROECRSA-N	241.052	-0.781	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1COC2(CCC2)C1	2248804562	ZBWAWZXIZGLVBV-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2249410447	NFYALSRSWDRPAA-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C(C)(F)F	2249412098	UYCVUIGWINQSLE-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
CCCN(C[C@@H](C)O)c1cc(B(O)O)ccn1	2250547706	HFCBERYWIYBIRK-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2250964744	KDQZAYMUPQHJDW-UTLUCORTSA-N	242.128	-0.352	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	2255469018	JQWMBNOMIHHAFH-WTPMCQDGSA-N	247.103	-0.057	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1c(F)cccc1B(O)O	2255509170	IVZBSUSIRXTZKR-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
C#CCN(CCC)C(=O)c1cc(B(O)O)cn1C	2255511115	ZLMVHEPIRLPOHK-UHFFFAOYSA-N	248.091	-0.810	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(C)cc(B(O)O)c1	2255511517	KPOJJALQQLVSNR-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)c(B(O)O)c(C)c1	2255557688	HJWKKKRKXFXACK-JTQLQIEISA-N	245.087	-0.265	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1c[nH]nc1B(O)O	2255582520	HOVIQJZFZJTSFY-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
C#CCN(C(=O)c1occc1B(O)O)C1CCC1	2255690317	ZDJJIJXKQCRUKU-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
CCCN(C(=O)c1ncc(B(O)O)cn1)C1CC1	2255691274	CMCPYHMVBIZTSS-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@@H]2CC[C@H]21	2255717394	JTKJFWHHECRRSF-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
Cc1nccn1[C@@H](C)C(=O)NCCC#CB(O)O	2258962422	GWQVKABVSGCNRF-VIFPVBQESA-N	249.079	-0.726	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1[C@H]2CC[C@@H]1CNC2	2298368621	PHNMRNSQBIUVBV-YNFQOJQRSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2298369108	JDCAFBBUJZBZIC-JDDHQFAOSA-N	239.080	-0.636	50	10	BBGE	
C[C@H]1CCC[C@H](CN)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369275	PEKXMADJBRAOQP-JLIMGVALSA-N	240.112	-0.422	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298374912	SODNFFKJXPNXKR-DJLDLDEBSA-N	241.096	-0.077	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298463108	PVKAOUPFISJKPK-RULNZFCNSA-N	241.052	-0.924	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C[C@@H](O)[C@H](F)C1	2300374807	VGZLPVLODWONCP-ZYUZMQFOSA-N	245.298	-0.593	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1ccc(B(O)O)o1	2301198482	OQVOYDUDJFCOAZ-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	2302203526	MYEUVHQCDVCIDS-FBDQPXRJSA-N	239.319	-0.278	50	10	BBGE	
CC(C(=O)O)=C(C)C(=O)N1CC[C@@H](B(O)O)C1	2303112885	WIHUGAVURZITFJ-MRVPVSSYSA-N	241.052	-0.517	50	10	BBGE	
CC[C@@](C)(CN1CC(C(=O)NC)C1)C(=O)NN	2303426669	QFLNPACKTZOCPO-NSHDSACASA-N	242.323	-0.930	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)C[C@@H]1C(C)C	2304254599	YVQMCCSTLOHFHD-NXEZZACHSA-N	243.307	-0.755	50	10	BBGE	
COc1nc(N2C[C@@H]3CC[C@H]2C3)ncc1B(O)O	2309544137	RKTWGXOBESLICO-SFYZADRCSA-N	249.079	-0.846	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2312858678	SSKSOOPBRMNEAJ-NQWGPCKQSA-N	247.103	-0.182	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2313081247	HLBALSONWCXULB-NORCUCSASA-N	247.059	-0.560	50	10	BBGE	
COC(=O)N/N=C/C=N/NC(=O)OC	18043926	CBYJTGYXQYGXIJ-FCXRPNKRSA-N	202.170	-0.330	50	10	BBGE	
COc1ccccc1CN(C)C(=O)C(=O)NN	42442463	IGNVFANAGJBHIE-UHFFFAOYSA-N	237.259	-0.357	50	10	BBGE	
CCOC(=O)c1csc(C(=O)NN)n1	75848569	GGGBCPIFDMTWFG-UHFFFAOYSA-N	215.234	-0.077	50	10	BBGE	
NNC(=O)c1nccn1-c1ccccn1	75848609	JYWZMIZYBWBDRV-UHFFFAOYSA-N	203.205	-0.129	50	10	BBGE	
CS(=O)(=O)CCS(=O)(=O)CCCl	82514162	YXHQOXJUFQZWGR-UHFFFAOYSA-N	234.726	-0.315	50	10	BBGE	
COC[C@@H](Cl)CNS(C)(=O)=O	83212655	RVAIUBLGBJKONU-YFKPBYRVSA-N	201.675	-0.211	50	10	BBGE	
CSCC(=O)NNC(=O)c1cc(C)nn1C	89995416	XYHLXTYKNMEYHS-UHFFFAOYSA-N	242.304	-0.147	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ccccc2=O)O1	110579097	XKZUOSIQCTVUFL-DTWKUNHWSA-N	237.259	-0.614	50	10	BBGE	
O=C(CCCl)NCc1cc(=O)[nH][nH]1	170274671	YIHZTLOSMYNXRN-UHFFFAOYSA-N	203.629	-0.052	50	10	BBGE	
Nc1c(B(O)O)cccc1C(F)(F)F	204743170	RNBIEYOVSZDHAZ-UHFFFAOYSA-N	204.944	-0.033	50	10	BBGE	
COC[C@H](C)Oc1cc(F)ccc1B(O)O	211683151	IQHKPFYNXVNWPN-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NC[C@H]1CCCO1	216938682	KDZYFIMYCXEMEC-UJICNMFASA-N	239.275	-0.729	50	10	BBGE	
NCCCC[C@@H](N/C=C/C=O)C(=O)O	225936388	ZKPSLLGRNDRMAU-GWSCVKMXSA-N	200.238	-0.129	50	10	BBGE	
COC[C@H](Sc1nnc(C)n1C)C(=O)NN	232421472	CSUNQDWCFAXJRZ-LURJTMIESA-N	245.308	-0.779	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)CCCCC(=O)NN	234358276	YIOPEIXRRBTKRW-VIFPVBQESA-N	244.339	-0.540	50	10	BBGE	
Cn1[nH]c(=O)c(=O)nc1SCCl	236091752	GPFWFUGIUDOCFX-UHFFFAOYSA-N	207.642	-0.243	50	10	BBGE	
C[C@H]1CN(C[C@H](Cl)C(=O)O)S(=O)(=O)C1	306479997	IOOXFHGPJSLSLX-WDSKDSINSA-N	241.696	-0.040	50	10	BBGE	
C[C@H]1CCSCCN1CC(=O)NN	307002504	CFOXWQYRZREZEW-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C)[C@H](C)C(=O)NN	308287036	DXSVARXUPZPXBP-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
CSCCCNC(=O)NNC(N)=S	308312451	SSURZKPIOUAXHB-UHFFFAOYSA-N	222.339	-0.213	50	10	BBGE	
CN1CC[C@@H]2CN(CCCC(=O)NN)C[C@H]2C1	380093430	VLBDBPNEBJXCLE-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](O)CC1	382013637	NKYWXBRPWCRQDX-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@H](C)O[C@@H]1C	384971765	TVVFOXPCJMLPHN-SGIHWFKDSA-N	245.323	-0.511	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1nccs1	387498737	ABAWFZGWTOPSNQ-ZETCQYMHSA-N	244.320	-0.420	50	10	BBGE	
CN(C)CCO[C@@H]1CNNC(=O)[C@H]1Cl	388683263	HUPOZHAWIPMTEB-RQJHMYQMSA-N	221.688	-0.825	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCOC[C@@H]1C	398904998	FQXASDNBORMYTR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCOC[C@@H](Cl)C1	399978958	WGWGBBMOZHPQRV-IUCAKERBSA-N	249.694	-0.132	50	10	BBGE	
CN(C)CCC(=O)Nc1ccccc1B(O)O	404943533	MTWFOFVCFVAVAN-UHFFFAOYSA-N	236.080	-0.743	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1C[C@H]2C[C@@H]2C1	404989405	ZBOPPZFIVOSPRP-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cc2)no1	405039302	VXWHNBPMODZGAF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCC1	585065312	CGLIPKBWVJPWOD-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2[C@@H](C)C(=O)NN	686191498	UTOJFGCVBZEWTH-SRQGCSHVSA-N	227.308	-0.402	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689157470	DBZDFAKBVSQJNS-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
O=C(NCB(O)O)Nc1cccc([N+](=O)[O-])c1	701942685	FZAYNBXZNVRQET-UHFFFAOYSA-N	238.996	-0.272	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@]1(O)CCN(C)C1	702654322	URRGPMCZCACOMH-APPZFPTMSA-N	220.700	-0.204	50	10	BBGE	
CN(C(=O)c1nnn(C)n1)[C@H]1COC[C@H]1Cl	709265640	FNKZBSQURHDZLA-RITPCOANSA-N	245.670	-0.712	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1CC(C(N)=O)C1	716706814	PJDLAIYWZXYKSH-KXGSVCODSA-N	247.682	-0.297	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCS[C@@H](CO)C1	720069166	NPISYNMGYGOWTA-BDAKNGLRSA-N	247.364	-0.589	50	10	BBGE	
CC(C)SCC(=O)NNC(=O)c1cnn[nH]1	729457317	CGBGBBIDDUDVQG-UHFFFAOYSA-N	243.292	-0.293	50	10	BBGE	
CNC(=S)NNC(=O)[C@H]1CCO[C@H]1C	770850785	DXYHJBUNOOQDSC-WDSKDSINSA-N	217.294	-0.464	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCC12OCCO2)C(N)=O	774094120	VYEYXYNJAKOLHR-ZETCQYMHSA-N	243.263	-0.429	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)c1ncc[nH]1	790167915	XZUMDPCYQICHKG-MRVPVSSYSA-N	238.247	-0.335	50	10	BBGE	
CC(CS(C)(=O)=O)=NNC(=O)[C@H]1CCCO1	814242660	KCEMMFPVEPYIOJ-MRVPVSSYSA-N	248.304	-0.298	50	10	BBGE	
CO[S@@](=O)Nc1cccc(B(O)O)c1	1078392271	YQMCPXUAZSBJNU-CQSZACIVSA-N	215.039	-0.997	50	10	BBGE	
N#Cc1nccn1CC(=O)NNC(=O)C1CC1	1116453255	VZQWMGIUTZFOCA-UHFFFAOYSA-N	233.231	-0.688	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1cc[nH]n1	1300694339	OYZFEJMDMIYAAU-SECBINFHSA-N	226.236	-0.668	50	10	BBGE	
O=C(CO)NNC(=O)c1cccn2nccc12	1306821907	YVJFTCQOEPFYAR-UHFFFAOYSA-N	234.215	-0.912	50	10	BBGE	
CS(=O)(=O)CC[C@H]1CC(=O)OC1=O	1536182043	VBBWSWWABVZZAG-YFKPBYRVSA-N	206.219	-0.489	50	10	BBGE	
Cn1ccc(NNC(=O)c2cc(=O)n(C)cn2)n1	1654552245	SIYUYLHRKCRBIO-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
O[C@H]1CN(C[C@@H]2C[C@@H]2Br)C[C@H]1O	1877487538	PEEDTWZMIQMLNC-DKXJUACHSA-N	236.109	-0.193	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@H]1C[C@@H]1Br	1883538220	RLTPLIOCDCQRTG-YUPRTTJUSA-N	249.064	-0.684	50	10	BBGE	
O=C(O)[C@@H]1CNCCN1C[C@@H]1C[C@@H]1Cl	1893097287	AYJCIPKNURYFEI-FXQIFTODSA-N	218.684	-0.028	50	10	BBGE	
O=C(NCCC(CO)CO)[C@H]1C[C@@H]1Cl	1893462138	WESWDZNBQDHKHJ-YUMQZZPRSA-N	221.684	-0.279	50	10	BBGE	
COC1(CNC(=O)[C@@H]2C[C@H]2Cl)CNC1	1893470492	UCQQEGSFZAIVQE-RNFRBKRXSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@H]2C1=O	1893853116	MANYWPIVGDSSCQ-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1895962283	PUFBHKMMSPSRJM-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cnsc1B(O)O	1900466760	KTXNTIPLLYJTLG-ZCFIWIBFSA-N	240.093	-0.649	50	10	BBGE	
COCc1ncc(C(=O)NNC(N)=S)n1C	1900962381	HDPMJFIAYDESFF-UHFFFAOYSA-N	243.292	-0.956	50	10	BBGE	
CC[C@](C)(CN1CCC[C@@H]1CO)C(=O)NN	1902716766	WUWVHWNZNVFMSJ-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@@H](F)C1	1904939029	NFJCOHJWCBHIIB-SYDPRGILSA-N	244.056	-0.491	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@@H]1C[C@H]1C(=O)NN	1906940387	IFPBCSIGAKIFFO-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@]3(C)C2)c(B(O)O)c1	1907081114	RPPLRKCDSPRBCB-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](Cn2cc(F)cn2)O1	1910292040	UQSMLBUTZPNRFG-IUCAKERBSA-N	242.254	-0.050	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C(=O)NN)C(C)(C)C	1916202911	SVINTNZWUDNMCO-JGVFFNPUSA-N	244.339	-0.543	50	10	BBGE	
CN1CCC(=NNC(=O)C(F)(F)F)C1=O	1923405262	JDHBDYDTNNTMRC-UHFFFAOYSA-N	223.154	-0.117	50	10	BBGE	
C[C@@]1(OCC(F)(F)C(=O)NN)CCOC1	1928535896	BYRNHINBDPIBTD-SSDOTTSWSA-N	224.207	-0.193	50	10	BBGE	
CC(C)OC(C)(C)CNC(=O)C(=O)NN	1930100553	VALXKCBQSJZGEV-UHFFFAOYSA-N	217.269	-0.704	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1931526537	KMNOVPITUXXOGJ-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@]1(C)CO	1932967693	PMLILVVBHVRQGL-XKSSXDPKSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCn1cnnn1)N[C@@H]1COC[C@@H]1Cl	1937142916	MVSJZZAFCXVFNW-NKWVEPMBSA-N	245.670	-0.814	50	10	BBGE	
CO[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1F	1937156553	ZLOQIZSVEGGQEV-NTSWFWBYSA-N	241.213	-0.720	50	10	BBGE	
COC[C@@](C)(CCl)NC(=O)Cn1cnnn1	1937160070	QFFUJJHOGKKBSC-MRVPVSSYSA-N	247.686	-0.567	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]1(F)C2	1937429191	DQDOWNKKWOZPTO-XKSSXDPKSA-N	231.271	-0.227	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](N2CCC2)C1	1941086900	KVSDJIGMSOQYOT-HBNTYKKESA-N	238.335	-0.608	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCC2)C[C@@H]1CO	1946223472	QPJWBZWTJUSIGT-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
O=S(=O)(CCl)N1CC=C[C@@H](O)C1	1953625730	IMDLCMWMJKGLRG-ZCFIWIBFSA-N	211.670	-0.255	50	10	BBGE	
CCS(=O)(=O)N1C[C@@H](C)OC[C@H]1N=C=O	1960421144	QBYXWWLSLPRODY-SFYZADRCSA-N	234.277	-0.281	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)[C@@H]1C2	1961927286	UBZKPKFSVCHIIT-DFTQBPQZSA-N	233.695	-0.044	50	10	BBGE	
Cc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)n1C	1964509785	FDMCCLGXZSEQDS-MRVPVSSYSA-N	237.068	-0.583	50	10	BBGE	
C=C1C[C@H]1Cn1cc(B(O)O)ccc1=O	1975100283	BMNBSLDYTPNOHZ-QMMMGPOBSA-N	205.022	-0.896	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2C[C@@H]2CO)[nH]1	1975553116	QSMWLALADFYZKU-RITPCOANSA-N	243.698	-0.720	50	10	BBGE	
CN1CC[C@@H]2[C@H](CCCN2CC(=O)NN)C1	1981046743	VPIJEBLBDJNVOC-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
Cc1cc(N(C)CC2CC2)ncc1B(O)O	1981413378	GCNIGNPPZJOPFW-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
CSC[C@@H](C)N(C)c1ccc(B(O)O)cn1	1981414335	QKVUBKPUYLXRDF-MRVPVSSYSA-N	240.137	-0.051	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H](C)[C@H]2C)n1	1981446758	CNGOSOPLOAPRKN-VXNVDRBHSA-N	220.081	-0.086	50	10	BBGE	
COCCSc1nc(C)nc(C)c1B(O)O	1981466286	WOHULNZIPHAUOB-UHFFFAOYSA-N	242.109	-0.488	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C2CC2)n1	1981468792	ILSIAJOHRGJCEE-UHFFFAOYSA-N	221.069	-0.628	50	10	BBGE	
COC1CCN(c2nc(B(O)O)cs2)CC1	1981471179	HEDDSAGINMCKJY-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)c1ccnn1C	1981559547	BVUIYXLDVBYZAN-UHFFFAOYSA-N	225.296	-0.128	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H](F)[C@@H](CCl)C2)n1	1983550811	JSRRPGPGUGJMTD-NTSWFWBYSA-N	247.661	-0.141	50	10	BBGE	
CC1(C)C[C@@H]1Cn1cc(B(O)O)ccc1=O	1984101054	GNHUZZPZPVMHRE-MRVPVSSYSA-N	221.065	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H]1CCN1C	1987092009	JVXIEHBOXLBVTN-AEJSXWLSSA-N	228.340	-0.363	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CS[C@@H](C)C1	1988350944	JKRGIILMGNNISF-XHNCKOQMSA-N	247.364	-0.183	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1CC(CO)C1	1990046534	HWYYDYOXUDTTLN-QLVNRRSVSA-N	227.308	-0.685	50	10	BBGE	
C=C(CN1CCO[C@@H](C(F)(F)F)C1)B(O)O	1992144922	GRFIMIYYGXLQLZ-SSDOTTSWSA-N	239.002	-0.182	50	10	BBGE	
C=C(CN1CCC(S(C)(=O)=O)CC1)B(O)O	1992159447	JZORYTXNTDJOKM-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(F)(CO)CC1	1995937710	NPVXHEPFIRIWOL-DTWKUNHWSA-N	247.314	-0.203	50	10	BBGE	
CCCCCOC(=O)N[C@H](CB(O)O)C(=O)O	1998131547	WFBGBVPOOQHWFM-SSDOTTSWSA-N	247.056	-0.171	50	10	BBGE	
C=C(COc1ccc(OC)cc1B(O)O)OC	2004220231	YXKQEKBNKQROAV-UHFFFAOYSA-N	238.048	-0.086	50	10	BBGE	
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NN	2004373912	WGGDEVBCBKTSNS-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cnccc1N1CC(C(F)(F)F)C1	2004918688	ONEFUDPNSNYOIW-UHFFFAOYSA-N	245.997	-0.240	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCOC[C@@H]2C)n1	2005014839	RJEJKHQYIWTBFJ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CCC12CCC2)C(=O)NN	2006120934	YOHKKDHDZNNVGR-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N2CC(C)(C)C2)C1	2007834104	FZIKFWMAYIHPHG-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1C[C@H]2CN([C@H](C)CC(=O)NN)CCN2C1	2010601566	WNQLBJSHWWRNAY-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012015303	LZBZQVFKQSRKSR-WPRPVWTQSA-N	242.323	-0.789	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2[C@H](C(=O)NN)C(C)(C)C	2014279851	ZPXOFNMIUCECAO-KXUCPTDWSA-N	240.351	-0.221	50	10	BBGE	
COC(=O)CC(=O)CN1CCC(O)(C#N)CC1	2015800867	SPSUQGXSUREJEZ-UHFFFAOYSA-N	240.259	-0.531	50	10	BBGE	
CN1CCC(C)(C(=O)NCC=CB(O)O)CC1	2020067869	LUYSKQCXFYAQLI-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
C=C(CN1C[C@@H]2C(N3CCCC3)[C@H]2C1)B(O)O	2021158829	IYDMNJHYQSRGKO-QWRGUYRKSA-N	236.124	-0.419	50	10	BBGE	
C[C@@H]1CCC2(CC2)N(c2ncncc2B(O)O)C1	2052466713	JYIGZFFQILSFNL-SECBINFHSA-N	247.107	-0.075	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC12CCC2	2052473350	RLYDXPNTBFQIKE-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCCC[C@@H]32)nc1	2052473829	XSIGSUQBFAAGNK-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1[C@H]2CCCC[C@H]12	2058157320	WWOLRTZBLLVQLM-QWRGUYRKSA-N	247.103	-0.036	50	10	BBGE	
O=Cc1c(B(O)O)ccc(F)c1[N+](=O)[O-]	2060056487	SZCRBNQYNUIDPT-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2n[nH]cc2c1	2077482257	FDHZLNRANCJJNV-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
C=C1CC(C(=O)NCc2ccc(B(O)O)cc2)C1	2084672549	MDGCSUNNBOVLFQ-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
CC1(C)CN(C(=O)NN)C[C@@H]1CCO	2209994103	UBMHHSQKWMIRCL-ZETCQYMHSA-N	201.270	-0.090	50	10	BBGE	
C[C@H]1CC[C@@H]1Cn1cccc(B(O)O)c1=O	2211480106	HSPOTZHYLCIPFC-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H](O)[C@H]1CC2	2212097216	JHKIRGMETCIMQR-OPRDCNLKSA-N	227.308	-0.256	50	10	BBGE	
CS[C@H]1CC[C@H]1Nc1ncc(B(O)O)cn1	2212602818	KGGFHKNFOCNEMX-SFYZADRCSA-N	239.109	-0.538	50	10	BBGE	
C=CC[C@H](C=C)Oc1ncc(B(O)O)cn1	2212612598	JIVCEIZHFZZVSK-VIFPVBQESA-N	220.037	-0.334	50	10	BBGE	
C[C@@]1(CNc2ccc(B(O)O)cn2)CCCN1	2217172500	KLKCWRIOHYYGET-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccnc(NC[C@H](O)C2CCC2)c1	2217175724	MSMHNIDCBVCEOB-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1Nc1ccc(B(O)O)cn1	2217175850	OFCJAYBBYGGUIK-UWVGGRQHSA-N	235.096	-0.686	50	10	BBGE	
Cc1cc(CN=c2ccc(B(O)O)c[nH]2)co1	2217179393	KCGDRLZDIBCSMF-UHFFFAOYSA-N	232.048	-0.303	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)CCCNC1	2217179822	BQPQBVPDQRFPRV-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
Cc1cnc(O[C@@H]2CNC[C@@H]2C)cc1B(O)O	2217184816	WQFVLFRYRGOEFC-WCBMZHEXSA-N	236.080	-0.943	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)c1cc(B(O)O)ccn1	2217199369	LUTZEDWVCKEAES-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
CCN1CC[C@H]1CNc1ccc(B(O)O)cn1	2217201338	DDGBOJVKNBDVNW-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
Cc1ncc(Nc2ccc(B(O)O)cn2)cn1	2217202788	ZWQMVSWLHJTNFS-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCCN1	2217203526	WICXTYRZBFJRQS-SECBINFHSA-N	235.096	-0.685	50	10	BBGE	
CCCC1(Cn2cc(B(O)O)cnc2=O)CC1	2217411078	ORCXWYVBDRRBMG-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)C[C@H]1CN	2223631903	CFAIMZBENHTFMD-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)c1ncon1	2223634075	FOJFQGQTGPIDTG-SSDOTTSWSA-N	248.051	-0.640	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3ccc(B(O)O)cn3)C[C@@H]12	2223648441	LBCGPLSRJHJGFE-CPOMMVLXSA-N	247.107	-0.701	50	10	BBGE	
N#Cc1ncccc1Oc1ccc(B(O)O)cn1	2223662778	LQMVCVRSXNMJLL-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
OB(O)c1cccnc1NCCCN1CCCC1	2223668502	XGWMNKPOBVTMPZ-UHFFFAOYSA-N	249.123	-0.341	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3ncccc3B(O)O)C[C@@H]12	2223677941	VIIVGCVRXGPCOE-YSSBGUOXSA-N	247.107	-0.701	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccccn1	2223679955	WQXURQNSQRZZFR-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@]12CCC[C@H]1C2	2224033356	ZHMORZRMAVJHHY-CABZTGNLSA-N	248.091	-0.497	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2C(=O)N1C[C@@H](O)CCl	2241503980	IUQJQMQJZKUEMB-RRKCRQDMSA-N	217.652	-0.019	50	10	BBGE	
NC/C=C\CNC(=O)/C=C/C(=O)Cl	2241538637	ZVXRHTGFDOBJKC-BXTBVDPRSA-N	202.641	-0.061	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)CF	2241714847	GNPLBCTZIDBBGY-BQBZGAKWSA-N	207.249	-0.719	50	10	BBGE	
CCN1CC(NC(=O)C2(B(O)O)CCC2)C1	2243347250	JXOCQXKWISMGQZ-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CCC=CCNC(=O)c1coc(B(O)O)c1	2243347757	PIWCKHXXRPPNCW-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CCN(CC)C(=O)c1cc(B(O)O)oc1C	2243350342	ZQHXMKQHDHOTHO-UHFFFAOYSA-N	225.053	-0.250	50	10	BBGE	
CC(F)(F)[C@@H]1CCCN1C(=O)C#CB(O)O	2243356726	MDGFSHRBRKMLRZ-ZETCQYMHSA-N	231.007	-0.352	50	10	BBGE	
C[C@H](Cc1ccsc1)NC(=O)C#CB(O)O	2243362595	TZHWYCKTNHLLEF-MRVPVSSYSA-N	237.089	-0.189	50	10	BBGE	
NCC1CCN(C(=O)C2(B(O)O)CC2)CC1	2243364570	ZBXIPXWBUDARDP-UHFFFAOYSA-N	226.085	-0.809	50	10	BBGE	
C[C@H]1[C@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243396206	IZOWCUMYWGBBKJ-XSPKLOCKSA-N	226.085	-0.813	50	10	BBGE	
C[C@@H](CCCO)NC(=O)C1CC(B(O)O)C1	2243396835	RIGBZTORSBYNTH-UEJVZZJDSA-N	229.085	-0.483	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@H]1CCSC1	2243401776	WLSNSHDPPHRLIQ-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243404684	SDCTWCQJHXQBCP-FXQIFTODSA-N	225.053	-0.366	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1csnc1B(O)O	2243411957	DAHZYJJKJYECPA-LURJTMIESA-N	242.109	-0.307	50	10	BBGE	
CCCCNC(=O)c1c(C)nsc1B(O)O	2243414465	BHBOGLFDSJYOHD-UHFFFAOYSA-N	242.109	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2COCC[C@H]21	2243419760	GDMWYEZVTMGQHJ-LURQLKTLSA-N	225.053	-0.903	50	10	BBGE	
C#CC1(F)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243427271	SMMXLJMODXZCPF-ZKCHVHJHSA-N	225.028	-0.577	50	10	BBGE	
CC[C@@H](O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427485	WISJMWQKPQTIML-LURQLKTLSA-N	229.085	-0.485	50	10	BBGE	
O=S(=O)(CC1CC1)N1CCC(B(O)O)CC1	2244170382	HAFLETPFENGVKC-UHFFFAOYSA-N	247.125	-0.335	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)co2)CC1	2244205098	FTLTYDZZHTZVGZ-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
O=C(N[C@H]1CCSC1)c1cocc1B(O)O	2244210561	GDIQANGJKZJMMG-LURJTMIESA-N	241.077	-0.805	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(C(F)F)o1	2247747679	QZXOAONMHQCIOG-UHFFFAOYSA-N	242.974	-0.151	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247747812	SMTZEQWTZNKERK-MRVPVSSYSA-N	236.080	-0.433	50	10	BBGE	
O=C(N[C@@H]1CN2CC[C@H]1C2)C1(B(O)O)CCC1	2247750025	DATKLYOXPMPXTF-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1[C@@H]2CNC[C@@H]21	2247750317	HJYBARGTEFZADW-BRPSZJMVSA-N	238.096	-0.940	50	10	BBGE	
O=C(N1CC[C@]2(CCO2)C1)C1(B(O)O)CCC1	2247754573	NBCBSTAWPYIZTL-JTQLQIEISA-N	239.080	-0.225	50	10	BBGE	
CC(C)[C@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2247759170	YQYUHKWVPKAURE-NSHDSACASA-N	241.096	-0.387	50	10	BBGE	
O=C(NCc1ccc(F)cn1)[C@@H]1C[C@@H]1B(O)O	2247797687	MCEBNYFPQABYKA-BDAKNGLRSA-N	238.027	-0.300	50	10	BBGE	
Cc1ncoc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797700	MFWVXXBVAARCIF-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247798361	SQOXTGFIDVHZGS-HACHORDNSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@]1(F)CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247800092	LDRCGGNCZJAVTO-NQMVMOMDSA-N	245.059	-0.564	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H](C)O1	2247803646	CCDDGWJVWDDZER-VVULQXIFSA-N	241.096	-0.079	50	10	BBGE	
O=C(NCc1cccnc1)C1CC(B(O)O)C1	2247805918	LELKLEANXGJFTI-UHFFFAOYSA-N	234.064	-0.049	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)C1CC(B(O)O)C1	2247806284	DVWSWMUXTKSDDQ-RTBKNWGFSA-N	239.080	-0.299	50	10	BBGE	
CC(C)[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247841048	DNKPOVRVQABGLI-UWVGGRQHSA-N	239.080	-0.726	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2247850264	MDOVXDXZRCJJPP-HTQZYQBOSA-N	236.080	-0.435	50	10	BBGE	
O=C(N1CC[C@H]2[C@H](C[C@H]2O)C1)C1(B(O)O)CC1	2247854596	FNUFZNUZYRAJKA-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
C#CCN(C(=O)c1occc1B(O)O)C1CC1	2247855443	SJMPACYSRXAEME-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
C[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@H]1CN	2247856010	BMXUVEJXGXQZGP-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247859683	ODUXUMZZCPQVQQ-XNWIYYODSA-N	240.112	-0.563	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2247878977	QWDFBTWLKZPUBP-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H](C)CN(C)C	2247880345	ZJBDQMZHKZSLKO-VIFPVBQESA-N	242.128	-0.208	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C	2247887257	MGGGXSCKULMYFL-BQHMLIOBSA-N	241.096	-0.221	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)[C@H]1C[C@@H]1B(O)O	2247899585	OLCVNHJFHYWBJQ-QKAWAISNSA-N	245.059	-0.926	50	10	BBGE	
O=C(O)CC1(NC(=O)C2(B(O)O)CC2)CCC1	2248585815	QWSDMSPUUXNMME-UHFFFAOYSA-N	241.052	-0.493	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2248586982	KGGGAKQBQWERKN-BIIVOSGPSA-N	241.052	-0.781	50	10	BBGE	
N#CC1(NC(=O)c2cocc2B(O)O)CCC1	2249421951	AKGUUUGHUBLRPZ-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCn2cncc2C1	2249740268	YWQPNKWSQHMHDD-PSASIEDQSA-N	235.291	-0.675	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2253271957	ZAFUZLBHPDNQIB-NKWVEPMBSA-N	242.084	-0.990	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1ncc(B(O)O)cn1	2255479407	REXUEBXWXFTSNL-SECBINFHSA-N	249.079	-0.759	50	10	BBGE	
O=C(N[C@@]12CCCC[C@@H]1C2)c1c[nH]nc1B(O)O	2255549164	FXXDIWUAQBALRE-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1ccncc1B(O)O	2255733243	IBPGAXHIBXEMPB-VHSKPIJISA-N	248.091	-0.464	50	10	BBGE	
Cc1cccc(C(=O)N2CC3CC2C3)c1B(O)O	2255734886	JBSZNKGFYXKTQZ-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(C)ccc1B(O)O	2255736881	VKMMNIPWNJZAAZ-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(OC)c(B(O)O)c1	2255745193	PFGSMKLQXDCRQC-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2298397739	AZFAZMAECSPHHX-OUAUKWLOSA-N	235.092	-0.104	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1ccoc1B(O)O	2301197930	KREJCBHUAWXDDO-QMSLJYSESA-N	237.064	-0.266	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2OC	2302212273	XIDOSACFIQKWIG-QEYWKRMJSA-N	243.307	-0.900	50	10	BBGE	
CC(C)NC(=O)CCN1CC[C@@](C)(B(O)O)C1	2303097897	RXUAKGYXOGQTKX-LLVKDONJSA-N	242.128	-0.160	50	10	BBGE	
CC1(C)CC(=O)N[C@@H]1CN1CC[C@H](B(O)O)C1	2303133317	KJKFLPBOMDGJLX-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H](O)C1	2317160593	FWZDVUIXPYFUGZ-QWRGUYRKSA-N	246.075	-0.437	50	10	BBGE	
CC[C@@H](N)CCOc1ccc(B(O)O)cc1C#N	2317163995	UIEMLIZHYRPFIY-LLVKDONJSA-N	248.091	-0.256	50	10	BBGE	
OB(O)c1cc(N[C@@H]2C3C[C@@H]4C2[C@@H]4C3)ncc1F	2320795922	BIBPIFHWJCWKPO-VTFHTUNOSA-N	248.066	-0.033	50	10	BBGE	
NNC(=O)c1cc(S(=O)(=O)N2CCC2)c[nH]1	22161132	XSKKQYYRLREOPB-UHFFFAOYSA-N	244.276	-0.987	50	10	BBGE	
C[C@H](Br)C(=O)Nc1nnn[nH]1	41728522	DISLUOCCYKKTIV-REOHCLBHSA-N	220.030	-0.078	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1C(=O)NN	42426509	AVGZMDQQDDYMNL-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](CCN)C1	70170895	CQXCWERJAQVJNI-JTQLQIEISA-N	242.323	-0.786	50	10	BBGE	
CNCCN(C)Cc1occc1C(=O)NN	70303776	QPHNCUHDWSXCRZ-UHFFFAOYSA-N	226.280	-0.466	50	10	BBGE	
CCOC1CCN(CC(=O)NN)CC1	82468934	PWIQUDJKBIIQKN-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@@H](N)C1	113179076	TVQFYDIUHWVVQO-SNVBAGLBSA-N	234.303	-0.177	50	10	BBGE	
C[C@H](C(=O)NN)n1nc2n(c1=O)CCCCC2	113189828	CBAOBULILKCEEE-SSDOTTSWSA-N	239.279	-0.678	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1[nH]c(=O)ccc1=O	132853104	QPZSJZSPHWPASG-BYPYZUCNSA-N	218.596	-0.771	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCCS1(=O)=O	132857292	GQADNAASXBZTNZ-RXMQYKEDSA-N	227.669	-0.286	50	10	BBGE	
C[C@H](CCC(=O)NN)n1cnc(C#N)c1C#N	156313038	BFYGGZFWGGQEPX-SSDOTTSWSA-N	232.247	-0.042	50	10	BBGE	
Cn1c(NCCCl)cc(=O)n(C)c1=O	204192422	WKPDINSKAGBWMO-UHFFFAOYSA-N	217.656	-0.265	50	10	BBGE	
CC(=O)NNC(=O)CN(CCCO)C1CCC1	228058334	PJLUTYDWGNPBPU-UHFFFAOYSA-N	243.307	-0.609	50	10	BBGE	
C[C@@H](CN(CCO)CC(F)(F)F)C(=O)NN	231593356	CMSHXLQHIFDGOG-LURJTMIESA-N	243.229	-0.531	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](C)C1	232418845	ICBCNJYHHAFLRR-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H](C(=O)NN)n1ccc(C2CC2)n1	232421121	WTTNTGUYZNAWSG-VIFPVBQESA-N	224.264	-0.062	50	10	BBGE	
COCCOCCCO[C@H](C)C(=O)NN	234822498	RKPPOOVOCSOORV-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
OB(O)c1ccc(-c2cccnc2)nc1	238645879	SQRFRPMVGWBCLH-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
O=C1NC(=O)[C@@]2(CC[C@@H](CCCB(O)O)C2)N1	255965372	BSAXZFNLOLNTPG-XCBNKYQSSA-N	240.068	-0.382	50	10	BBGE	
NNC(=O)c1cccnc1Cn1cnccc1=O	305916406	GUMNJVUUPYSBOD-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
O=C[C@H](O)[C@H](Cl)[C@@H](O)[C@H](O)CCl	307911643	GNXNPUPKMQGBAM-VANKVMQKSA-N	217.048	-0.886	50	10	BBGE	
CCNC(=O)NNS(=O)(=O)C1CC1	308220308	KXDZKBBFIKKQLC-UHFFFAOYSA-N	207.255	-0.698	50	10	BBGE	
CN1CC[C@H](N(C)CCCCC(=O)NN)C1	309308133	WFUXXFQVWMGRLS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(COC)C1	381406869	WTKMFAUYHFWUEJ-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](CO)C(C)(C)C	381518471	SYAZFKOAEVFBNK-QMMMGPOBSA-N	231.296	-0.850	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1nc(C(=O)NN)co1	384777161	HHORNXXWNQLFER-RNFRBKRXSA-N	240.263	-0.767	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NCC(=O)NNC(C)=O	393784947	SXNMASZGQIPCQE-VXNVDRBHSA-N	231.296	-0.850	50	10	BBGE	
COC(=O)CCc1ccc(O)c(B(O)O)c1	394936521	TWHJBCHKOGFPDA-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(OC(F)F)C1	399929425	NVWPASLKFIBMSW-YFKPBYRVSA-N	223.223	-0.322	50	10	BBGE	
Cc1occc1C(=O)Nc1cc(B(O)O)ccn1	405035587	RSNWEXHPYQXXGG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN1CCN(C(=O)CCCl)C[C@@H]1CO	687597967	UYYWFXCBXDDJDU-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
Cn1nnc(C(=O)NCCOCCCl)n1	697206689	DMPMCKTYOCFNQO-UHFFFAOYSA-N	233.659	-0.805	50	10	BBGE	
C[C@@]1(CO)C[C@@H](O)CN1C(=O)CCCl	698213173	KHLKHROSPBXGRW-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](Cn1ccnc1[N+](=O)[O-])C(=O)NN	702729677	KRVUJTOPGXSYIJ-YFKPBYRVSA-N	213.197	-0.583	50	10	BBGE	
CCOCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703423155	WUSLAAGVHZHSRL-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
CCC[C@H]1CN([C@H](C)C(=O)NN)CCO1	708942881	DFCYIQPXJLVXAO-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
COc1ccc(OCC[C@H]2CO2)c(B(O)O)c1	718545613	YOIMUBKHZAWJPO-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
Cc1cnc(CNC(=O)C(=O)NN)c(C)c1	724107621	DLOOPWOSFMPZNS-UHFFFAOYSA-N	222.248	-0.695	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1COC1	785760067	AMAALHOYOVCFGP-ZCFIWIBFSA-N	244.247	-0.878	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1	814343854	YPHUGFUNSRFFNX-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
CC(C)(N)CC(=O)N1CCC(O)(C#N)CC1	821980227	ACMVBUPIGHTDGE-UHFFFAOYSA-N	225.292	-0.009	50	10	BBGE	
CN1C[C@@H](C(=O)N2CC=C(C#N)CC2)NC1=O	831488473	RQQQLFSHTPCRCI-VIFPVBQESA-N	234.259	-0.308	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)c1cnsn1	894288357	SNDBMKZADABTOQ-ZCFIWIBFSA-N	244.276	-0.276	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1=O	899938256	YUEFRWKYVJESIW-QMMMGPOBSA-N	239.275	-0.588	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NCC1CC1	900384414	IDTGSFHQDDFFHR-KZUAUGPASA-N	227.264	-0.336	50	10	BBGE	
CN(NC(=O)[C@@H](O)C(C)(C)O)C1CC1	911292851	PEABQNNLPOMVGD-SSDOTTSWSA-N	202.254	-0.756	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@H]1COC(=O)C1	1141855446	PCKSKBXKBNTICB-JGVFFNPUSA-N	230.264	-0.717	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)C(N)=O	1295202294	ZUWUTCTWYNLLFD-XVMARJQXSA-N	225.248	-0.357	50	10	BBGE	
C[C@@H](NC(=O)NNC(=O)CCO)C(F)(F)F	1345677360	BCRHSQLNYWLAIK-SCSAIBSYSA-N	243.185	-0.350	50	10	BBGE	
C=C(CC)C(=O)NNC(=O)c1cn(C)nn1	1348864269	QJXPBKZCSBMZQN-UHFFFAOYSA-N	223.236	-0.458	50	10	BBGE	
O=C(NNC(=O)c1cc(=O)cc[nH]1)c1cn[nH]c1	1454100464	CSQLWFDGMIYYGV-UHFFFAOYSA-N	247.214	-0.827	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1ccc[nH]1	1540502490	ZZCSUSITXKNCIV-UHFFFAOYSA-N	233.231	-0.259	50	10	BBGE	
CN(NC(=O)c1nccnc1Cl)C(N)=O	1545887577	JIWZYWSKIPBBIH-UHFFFAOYSA-N	229.627	-0.215	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1[nH]cnc1C	1583488867	NJPKRMUAMXJETR-UHFFFAOYSA-N	225.252	-0.389	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)Cc1cccnc1	1628629387	FINFCNHMTYAIHU-SECBINFHSA-N	235.243	-0.682	50	10	BBGE	
COCCN(C)CC(=O)NNC(=O)C(C)C	1657089288	YNVUADCRYJPGGJ-UHFFFAOYSA-N	231.296	-0.632	50	10	BBGE	
Cc1noc(C)c1S(=O)(=O)NNC=O	1858080457	FFUHHBATNHULCK-UHFFFAOYSA-N	219.222	-0.769	50	10	BBGE	
NC(=S)NNC(=O)C1CC(Cl)C1	1881395560	JJPNZSNJEYUGDD-UHFFFAOYSA-N	207.686	-0.132	50	10	BBGE	
O=C(F)N=c1nc(C#CCO)[nH]s1	1882783583	HJUKQQFTEQSMNK-UHFFFAOYSA-N	201.182	-0.195	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1CF	1888819532	VHSWEDCDQFUPSU-PRJMDXOYSA-N	203.261	-0.098	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)OCCl)C[C@H]2N1	1896212131	WKMDJAOBQSDYAH-RQJHMYQMSA-N	248.666	-0.091	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cnsc2B(O)O)[C@@H]1C	1900475485	VGZLJHKMSOCQBC-CNYLLVADSA-N	240.093	-0.793	50	10	BBGE	
CC(C)=C(Cn1cnc(C)cc1=O)B(O)O	1901626190	OIDJHBLWONTYMQ-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
Cc1scc(C(=O)N(C)CCF)c1B(O)O	1902867220	GNBFXKFKXSWQHH-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
N#CCS(=O)(=O)N[C@@H](CCCl)C(=O)O	1903495438	DYAMNOJLMJJTMG-YFKPBYRVSA-N	240.668	-0.489	50	10	BBGE	
Cc1ccn(C[C@@H](C)C(=O)NN)c(=O)c1	1912228958	IIGKICGCSZGKQU-MRVPVSSYSA-N	209.249	-0.217	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H](O)CF)[nH]1	1930538257	HUIWNEXWRPBQAO-BYPYZUCNSA-N	235.650	-0.813	50	10	BBGE	
C[C@H]([C@H](O)CO)N1C[C@](C)(CCl)C1=O	1931725982	NRIRLYAPJGDJEX-BHNWBGBOSA-N	221.684	-0.185	50	10	BBGE	
CCC1CC(=O)N(CC(=O)NN)C(=O)C1	1931805329	HSHVOSFJPQDOEF-UHFFFAOYSA-N	213.237	-0.849	50	10	BBGE	
CC1(C)[C@H](CNC(=O)NN)CCS1(=O)=O	1933368996	XDOQLWIVEOPEBG-LURJTMIESA-N	235.309	-0.627	50	10	BBGE	
O=C(NC[C@H]1COC[C@@H]1Cl)c1cnn[nH]1	1933388879	IUANOFADKPCEGF-WDSKDSINSA-N	230.655	-0.212	50	10	BBGE	
CO[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)NN	1935959863	KXWSFKXBFQIDIM-JGVFFNPUSA-N	229.280	-0.560	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H]2COCC[C@@H]21	1940344695	XZFKXKXYBSNFQT-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2C[C@H](O)CC[C@H]21	1940523411	HMBIZIVLEGICPS-GMTAPVOTSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941083917	UYMVRWOJQWITEO-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CCC[C@]1(O)CCN(CCOCC(=O)NN)C1	1945564120	MTGINJALGMYMKS-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCC[C@H](O)[C@H]2C1	1945659831	XBUWBWYHOACRMK-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1CCOCC(=O)NN	1946257871	UJJCOTNEIREWEP-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951019704	VYUCPZLDYJNJBX-HHKYUTTNSA-N	241.335	-0.154	50	10	BBGE	
O=C1CN(C(=O)CBr)[C@H]2CC[C@@H]2N1	1953945341	CJQRVNSBBXJKBW-WDSKDSINSA-N	247.092	-0.129	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H](CN)C1	1956243022	TWFHXZMNQHMLGL-QMMMGPOBSA-N	200.286	-0.157	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1C(=O)NN	1956734697	QSZBUEZWCJGHKO-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
CC1(C)C[C@H](CO)CN(C(=O)NN)C1	1956957005	HLFLZNLBWMJYIH-ZETCQYMHSA-N	201.270	-0.090	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)[C@@H](CO)C1	1957316022	ASNZMEIELKCKRV-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@H]1C[C@H]21)C(=O)NN	1958447100	YIGUMNAETGEDPE-VFCFLDTKSA-N	209.293	-0.047	50	10	BBGE	
CSCC1CN(CCOCC(=O)NN)C1	1958883738	XAJZPYXSAHNIKH-UHFFFAOYSA-N	233.337	-0.712	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	1960173946	OLTRVYJHXYRAGH-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)N1CC[C@H](C(N)=O)CC12CC2	1960628135	PPWBAHMNCAOQTO-LURJTMIESA-N	212.253	-0.700	50	10	BBGE	
CC(C)(C)NC(=O)C1CN(C(=O)NN)C1	1960786713	QUVXMWSMDZFZLL-UHFFFAOYSA-N	214.269	-0.584	50	10	BBGE	
CC(C)(C)N(CCS(C)(=O)=O)C(=O)NN	1961264358	UJKQMHZAEHLACF-UHFFFAOYSA-N	237.325	-0.285	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](C2CC2)C1	1961489276	MIBOVTZBVZQOQE-MRVPVSSYSA-N	211.265	-0.375	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@@](=O)[C@H](C)C1	1961555081	ZCMJEXUICZFFSJ-KDZIRCDLSA-N	233.337	-0.792	50	10	BBGE	
CC1(C#N)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1962716373	UDBSFUNTNMAWNG-YUMQZZPRSA-N	208.265	-0.542	50	10	BBGE	
CC(C)COC(=O)N[C@H](CB(O)O)C(=O)O	1976987331	DTAFSZZSUHHFIM-ZCFIWIBFSA-N	233.029	-0.705	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ncc(B(O)O)s1	1977200815	APUIMVOMVJHXST-KCQQBQQISA-N	240.093	-0.337	50	10	BBGE	
CC(C)(CN1CC([C@H](F)CO)C1)C(=O)NN	1979546905	BXNXNXDNGAUITG-MRVPVSSYSA-N	233.287	-0.735	50	10	BBGE	
CO[C@@H](CCCl)CNC(=O)c1nnn(C)n1	1980257335	ZXOXRJKMDTVPHW-LURJTMIESA-N	247.686	-0.416	50	10	BBGE	
NNC(=O)CN1CCC([C@H]2CCOC2)CC1	1981083839	XCXFNGFIXZXKTH-JTQLQIEISA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)CN1CCO[C@H](c2ccco2)C1	1981090786	HQQUJXISEGWGOM-VIFPVBQESA-N	225.248	-0.357	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@@](=O)C[C@@H]1C	1981190432	CFRVSEYZCQWRHK-AGRCIMAESA-N	247.364	-0.402	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1ncc(B(O)O)cn1	1981414028	MZUPCNVIRLWDHT-VXNVDRBHSA-N	221.069	-0.609	50	10	BBGE	
N#Cc1cnn(CCC(F)(F)C(=O)NN)c1	1984128308	MTXILVDKUKESKZ-UHFFFAOYSA-N	229.190	-0.230	50	10	BBGE	
CNC(=O)CSC[C@@H]1CC[C@@H](C(=O)NN)C1	1985357428	PEPPNYLYZQCGRY-HTQZYQBOSA-N	245.348	-0.128	50	10	BBGE	
COCC(CCOCCC(=O)NN)COC	1987521840	GXYRNECTXYROAT-UHFFFAOYSA-N	234.296	-0.318	50	10	BBGE	
CN(CCn1cc(B(O)O)cn1)C(C)(C)C	1989942193	SYNTZONRKIMVOK-UHFFFAOYSA-N	225.101	-0.707	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)CCC(=O)NN	1990039629	STTVTGIUDULLED-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(=O)N[C@H]2CC[C@H]21	1991652609	PCWRGLJJHFUGAN-NKWVEPMBSA-N	242.662	-0.203	50	10	BBGE	
O=C(O)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2Cl)C1	1991692920	KISBHCNCDWSQML-XLPZGREQSA-N	246.694	-0.111	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	1992535840	MKCWEIMXJZDILG-QCLAVDOMSA-N	227.308	-0.687	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]1(C)CSCCO1	1993432670	WOJWCSQOTLYKQJ-PSASIEDQSA-N	247.364	-0.181	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2nc(C)nc2C1	2003931154	QLGHDOVJBCJCSG-QMMMGPOBSA-N	238.295	-0.829	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(O)C1	2004190015	DGGWZIVUFNHISY-UMNHJUIQSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	2004912238	QIWLELOVOZWNTJ-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
CCC[C@H](C)Oc1ncc(B(O)O)c(OC)n1	2004925254	ODHFHCBLOMLKHU-ZETCQYMHSA-N	240.068	-0.268	50	10	BBGE	
Cc1cc(OC[C@@H]2CCOC2)ncc1B(O)O	2004930136	RIHDLMVELKSAEI-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
C=CCOc1ccnc2cc(B(O)O)cnc12	2004934012	OOTODHHMVMNYCF-UHFFFAOYSA-N	230.032	-0.126	50	10	BBGE	
CN(c1cnn(C)c1)c1ccncc1B(O)O	2004938431	DAQAWGROBPHATG-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
Cc1ncnc(N2CCC3(CC3)C2)c1B(O)O	2004972310	DBCQSEMGLXGAHP-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@@H]3C[C@H]32)n1	2004972436	FURPZWVEEWTOHG-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@]12C[C@@H](CF)C2	2011139308	NLVKHPQLNVNHMI-FXPVBKGRSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ncc(F)cc1B(O)O	2014929373	LDILLMZJSOMLFP-YFKPBYRVSA-N	248.013	-0.010	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(CCOCC(=O)NN)C1	2016013292	JMHGBGXEJWEJLJ-BDAKNGLRSA-N	249.286	-0.948	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCOCC1	2019211604	QTVIHMLKHJEKHG-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
C#CCN1CCC[C@H](N2CC(=O)OC(=O)C2)C1	2024554115	LMEJTCMAJIDEEY-JTQLQIEISA-N	236.271	-0.531	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)CC1(F)CC1	2025748136	ACNDEWFFMNKFKP-DTWKUNHWSA-N	245.298	-0.042	50	10	BBGE	
N#Cc1ccc(C=O)c(B(O)O)c1Cl	2060093837	FWNNIFGLMLRPGJ-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCOc1c(C)cc(C=O)cc1B(O)O	2060146999	ZKWHHVZAWGBRFR-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
Cc1coc(NC(=O)c2ccccc2B(O)O)n1	2079007933	BZEYNYWBGICUQV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccc(B(O)O)cc1	2079009708	KNLGVSYBGKMMCS-JTQLQIEISA-N	245.087	-0.244	50	10	BBGE	
Cn1cnnc1COCc1cccc(B(O)O)c1	2080318101	ALHGHBADRFMAOH-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CCOC(=O)[C@H]1C[C@@H]1C(=O)NN(C)C	2209420514	MZRAJXZKEGREDJ-BQBZGAKWSA-N	200.238	-0.222	50	10	BBGE	
C=CCCC(=O)Nc1ncc(B(O)O)cn1	2211162089	QJMDEGHPGKMIHJ-UHFFFAOYSA-N	221.025	-0.939	50	10	BBGE	
C[C@@]1(CO)C=CCN1CCCCC(=O)NN	2211782018	LEKMCKVGJIJXEM-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
C=CCOC(=O)NCc1ncc(B(O)O)s1	2212134387	VLXHAULGBMMLKR-UHFFFAOYSA-N	242.065	-0.765	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CC1(C(=O)NN)CCC1	2212249181	MKPBDHKOOKGQPU-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](N)[C@H](C)COc1ccc(B(O)O)cn1	2212609897	ZCDWAMGMKPHZQK-SFYZADRCSA-N	224.069	-0.877	50	10	BBGE	
C[C@H]1CSC[C@@H]1Nc1cc(B(O)O)ccn1	2212611023	SVBHJIBHWSYEHL-CBAPKCEASA-N	238.121	-0.075	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1cc(B(O)O)ccn1	2212611386	ZYCASFMVXJSBPO-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
CC1(C#N)CN(c2ccc(B(O)O)cn2)C1	2212614138	APVCJWDWXIVNFZ-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
O=C1CCCCN1Cc1cccc(B(O)O)c1	2214595944	ONTCCKXYQLTEGU-UHFFFAOYSA-N	233.076	-0.121	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2(CC(O)C2)C1	2215770738	DFHMNMCTRSITOX-WPRPVWTQSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCCOCC1=O	2215775800	JBHHHELSQSGVCO-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
CNC[C@@H](Oc1ccc(B(O)O)cn1)C(C)C	2217168655	WKXUTSNWIHUOOA-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
C[C@@H](CCNc1ncccc1B(O)O)N(C)C	2217176856	BEECKFDELZTLTB-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CO1	2217179617	NMUUERZSOUXZPQ-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CO[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2217179930	OXZGQLTYGJBQGA-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)C23CCC3)nc1	2223637449	FWELMCVUHKMAKS-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CNC2(CCC2)C1	2223674954	ODMLBEBKRWKNRD-SECBINFHSA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]2C2CCC2)[nH]c1	2223677945	VKDSWQFULOORIE-GXSJLCMTSA-N	247.107	-0.574	50	10	BBGE	
CNC(=O)c1cccc(B(O)O)c1Cl	2241473835	QYKQPIYPPZMPBT-UHFFFAOYSA-N	213.429	-0.621	50	10	BBGE	
CC1(C)CN(C(=O)c2nscc2B(O)O)C1	2243347790	PWFWSUNFMIFSHP-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cscc1B(O)O	2243348482	YGHKDIUCYJWERL-HZGVNTEJSA-N	239.105	-0.092	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)C2(B(O)O)CC2)C1	2243363715	KYYVUWOBNZSTNA-OCAPTIKFSA-N	226.085	-0.763	50	10	BBGE	
C=CC[C@@H](CO)CNC(=O)C1(B(O)O)CC1	2243364620	ZXUDVSFBMYXBLW-MRVPVSSYSA-N	227.069	-0.706	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC(C)C	2243374591	HCJGAFIITQOABN-UHFFFAOYSA-N	224.069	-0.674	50	10	BBGE	
O=C(Nn1cccc1)c1cc(B(O)O)cs1	2243385537	KIDYOURICAGYTA-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)cs2)[C@@H]1C	2243386288	XTIWFCWBHVFRCX-GJVVYLMISA-N	239.105	-0.188	50	10	BBGE	
CNCCC[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243391750	NVYKRFSPCNDGPS-CIUDSAMLSA-N	228.101	-0.646	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2243392213	RZWLMRYICYLPQJ-PEBLOWIWSA-N	227.069	-0.467	50	10	BBGE	
CS[C@H]1CCCCN(C(=O)C#CB(O)O)C1	2243400166	WRLYVLDSYKUCGF-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(CO)c1	2243401057	LNXJOYGVYSYROW-UHFFFAOYSA-N	219.005	-0.867	50	10	BBGE	
O=C(NCc1nncs1)[C@H]1C[C@H](B(O)O)C1	2243404839	VJNAAAATDGZWNF-IZLXSQMJSA-N	241.081	-0.593	50	10	BBGE	
CN(C(=O)c1ncsc1B(O)O)C(C)(C)C	2243408296	KOZPWXXVTTUAGS-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CCN(C[C@H](C)OC)C(=O)C1(B(O)O)CC1	2243410830	IMIHETKLOVXVLO-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)N	2243417329	SGFOQTUVMNKGDT-PRJMDXOYSA-N	228.101	-0.519	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2243427163	RELKXEXRZSNBQS-XHNCKOQMSA-N	226.085	-0.907	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)[C@@H](C)CC)B(O)O	2243433380	LPBKDDZAJSAMBF-IONNQARKSA-N	249.141	-0.091	50	10	BBGE	
COc1cc([N+](=O)[O-])c(C(=O)NN)cc1O	2243556233	NRSSQYLVHYMZAY-UHFFFAOYSA-N	227.176	-0.088	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1occc1B(O)O	2244144517	JKYNWZXDAJXZLN-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
Cc1nc(N(C)[C@H](C)CF)ncc1B(O)O	2244149521	KZWHFTYDTMNRJQ-ZCFIWIBFSA-N	227.048	-0.741	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]1c1ccccc1	2247741099	UQZYMDJISVTRMV-WDEREUQCSA-N	229.044	-0.326	50	10	BBGE	
NC[C@@H](NC(=O)C1(B(O)O)CC1)C1CCCC1	2247751294	VYEKLRUZNALBEF-SECBINFHSA-N	240.112	-0.373	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)C1(B(O)O)CC1	2247755563	KIAHADXFDVEIHH-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2247759232	ZXQIQZAVMWVLLK-SFYZADRCSA-N	237.064	-0.222	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)cn1CC	2247760010	ADJNLTUDGATHGQ-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ncc(C)cc1B(O)O	2247792495	SVZUNWRPXYTVOM-MRVPVSSYSA-N	236.080	-0.402	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCC[C@H]1CO	2247796682	BVPUORNXOXHSBC-RTBKNWGFSA-N	241.096	-0.387	50	10	BBGE	
Nc1cncc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247797029	FSFYCTPFTCQKRD-DTWKUNHWSA-N	235.052	-0.857	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247800191	MCAFFAXOSJVBBO-SFYZADRCSA-N	235.052	-0.875	50	10	BBGE	
CCCC[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2247800459	PIANKYWEURDASB-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
CC[C@@H](CNC(=O)C1CC(B(O)O)C1)N(C)C	2247808434	VBINPZMAUSNSDP-RTBKNWGFSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(C1CCC1)C1COC1	2247809294	OTRCCXYRCWRBCA-NXEZZACHSA-N	239.080	-0.371	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@](F)(CO)C1	2247851139	DFNAGSPAPIWSIP-NRPADANISA-N	245.059	-0.828	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1coc(B(O)O)c1	2247870769	PNCKKGYHLMNNHK-WRXNHJIOSA-N	241.027	-0.563	50	10	BBGE	
O=C(NC1(CCO)CCCC1)C1(B(O)O)CC1	2247877965	KUMXBPJFIPXNKF-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247879525	UDHYGEZJXURCGY-DTWKUNHWSA-N	240.112	-0.230	50	10	BBGE	
O=C(N[C@H]1CCCC12CNC2)C1(B(O)O)CC1	2247879935	ZFSYVZSWLSKZQL-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248575962	DRUMIJPJQRQSHE-XAMCCFCMSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cocc2B(O)O)[C@H]1C	2249418619	WMMQYERTXGXOTF-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1c1ncccc1B(O)O	2251029372	GGALHOXADMNRNC-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cc(B(O)O)cn1C	2255495907	GSJDDWQQRRBVTG-UHFFFAOYSA-N	248.091	-0.763	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)cn1C1CC1	2255506488	RSQXHBZIUDKYMC-UHFFFAOYSA-N	248.091	-0.191	50	10	BBGE	
O=C(N[C@@H]1C=CCCCC1)c1cc(B(O)O)n[nH]1	2255555098	WIDGRLBBEZRFQA-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
COc1ccc(C(=O)N(C)C2CC2)cc1B(O)O	2255746449	YTPOLEANNQCVQC-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
Cc1cc(C(=O)NC2[C@H]3CCC[C@H]23)oc1B(O)O	2255784227	DCEWQAPVIMLOCA-YUMQZZPRSA-N	249.075	-0.204	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1O	2255956232	AHXMBGJJKJBKPY-SECBINFHSA-N	249.075	-0.304	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(B(O)O)co1	2258124072	XJKTYHLQOAAIAM-FKTZTGRPSA-N	249.075	-0.122	50	10	BBGE	
C#CC1(CNC(=O)c2cc(B(O)O)co2)CCC1	2258129300	WGINQZGPRVTUQL-UHFFFAOYSA-N	247.059	-0.507	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]2[C@H](C)O)cc1B(O)O	2298224589	QSWYZOIXNHZJLC-NRPADANISA-N	236.080	-0.749	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368438	DXXBYJQIATWQKS-GRDBIXFFSA-N	241.096	-0.533	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298370053	NBHVMRKYFVRLFB-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCC[C@H]1O	2298370490	AEVXTPMCYNKZRR-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1C	2298376796	OXCPGTSYUUZHDR-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300370815	NHKOXMPWOVYUJL-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](OCc1nnn2c1CCC2)C(=O)NN	2301185478	KHNOPIQUTRSPHL-SECBINFHSA-N	239.279	-0.491	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C[C@H]2F)cc1B(O)O	2301421706	YDPGBBBXXGPWAJ-GZMMTYOYSA-N	237.039	-0.051	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@H]1C(N)=O	2302061673	UTGXYDSLTGFDCM-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
CC[C@](C)(CN1CC[C@@]2(O)C[C@@H]2C1)C(=O)NN	2303427342	XLWUTTIGULOKOI-YUSALJHKSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(B(O)O)c(F)cn1	2303836453	MSDDJFWKKZFDBF-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2310663361	YCXDTUPRXLELIG-MYQHRXMXSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)c1	2312614318	HVWYMHANYDLYDE-OINDSLJFSA-N	248.091	-0.667	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@H]1CC[C@@H]2C[C@H]12	2312856631	GEFDDECHYBYPFB-VGMNWLOBSA-N	249.075	-0.170	50	10	BBGE	
CC(C)C=NNC(=O)CN1CCN(C)CC1	2321250815	MHVVDEGNFWMBOK-UHFFFAOYSA-N	226.324	-0.008	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN[C@@H](C)C(=O)O	2324510238	FLFIXTCBJBEQFT-ZETCQYMHSA-N	225.248	-0.019	50	10	BBGE	
NNC(=O)c1nc(-c2ccccc2N)n[nH]1	9477653	RFUKZYHDQWNUQU-UHFFFAOYSA-N	218.220	-0.343	50	10	BBGE	
CCN(CC)CCCNC[C@@H](C)C(=O)NN	58838062	NXTNFVBIBXWNNN-SNVBAGLBSA-N	230.356	-0.066	50	10	BBGE	
C[C@H]1CN(C(=O)CCCC(=O)NN)C[C@H](C)O1	58844371	UGVTTXWDBKYNRH-IUCAKERBSA-N	243.307	-0.218	50	10	BBGE	
CCN(CC)CCCNC(=O)CCC(=O)NN	58862284	HRPUAHWQDKXGAR-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
COC[C@@H](O)CNC(=O)[C@H](C)CCl	70590175	PCLOMGUOCCPULB-RQJHMYQMSA-N	209.673	-0.015	50	10	BBGE	
NC(=O)CN1C[C@@H](CBr)OC1=O	82330761	YYRSOAGKSGLDMN-SCSAIBSYSA-N	237.053	-0.313	50	10	BBGE	
CCCN1CCN([C@H](CC)C(=O)NN)CC1	82465986	VOIHDIDCZXQCSJ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1CCNCC1	82471253	PCHJLEANEPCQTA-SECBINFHSA-N	228.340	-0.171	50	10	BBGE	
CN1C[C@@H](NS(=O)(=O)CCl)CCC1=O	82757295	ILPJRYNIQNPFSZ-LURJTMIESA-N	240.712	-0.277	50	10	BBGE	
COCCN(CCOC)[C@H](C)CCC(=O)NN	110594694	MEKNBDJAMLFAFB-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CC[C@]1(C)NC(=O)N(CCCC(=O)NN)C1=O	110598387	RRISYCZRNLKETR-JTQLQIEISA-N	242.279	-0.523	50	10	BBGE	
CC(C)[C@@H](Sc1ncnn1C)C(=O)NN	128061897	CCCLCBAZBCGXRW-ZCFIWIBFSA-N	229.309	-0.078	50	10	BBGE	
CCC[C@H](SC[C@H](O)CO)C(=O)NN	211811748	FZVOCVIINFDXDG-RQJHMYQMSA-N	222.310	-0.769	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CN)C1	216474087	QOMAUZXHVNJQKR-SFYZADRCSA-N	200.286	-0.965	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\NCCCO	217183035	WOYXGKKSDWBRRY-CLFYSBASSA-N	211.265	-0.110	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](N)C1	222181419	OOEFTGXVIFUSTF-DJLDLDEBSA-N	214.313	-0.576	50	10	BBGE	
COC[C@H](S[C@@H](C)CCO)C(=O)NN	232421668	OKAYNGQTTBSWIA-BQBZGAKWSA-N	222.310	-0.505	50	10	BBGE	
CCc1nc(Br)ncc1B(O)O	238328572	XRVLOYMMLFWLOX-UHFFFAOYSA-N	230.858	-0.519	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(SC)CC1	300895472	VDDWFMFEZDCJKW-VIFPVBQESA-N	247.364	-0.181	50	10	BBGE	
Nc1nc(CCl)nc(NCCO)n1	306542664	VFBLMFMDYLMJGS-UHFFFAOYSA-N	203.633	-0.403	50	10	BBGE	
Nc1ccc2c(B(O)O)c(N)sc2c1	306906986	MYRSNLMLKSBKME-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCC[C@@H](C)NNC(=O)[C@H]1COCCN1	309839193	NPHZQXWMOJWBCW-RKDXNWHRSA-N	215.297	-0.216	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSC[C@@H]1CO	388146825	FMCMNLZOWOFVCH-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(O)c(B(O)O)c1	396019773	GSFXXVVYJMUGAQ-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
CCC(=O)c1cc(OC)ccc1B(O)O	396032674	NWNCUYDDDNLLQJ-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CC(C)CSCCNC(=O)C(=O)NN	397347432	FRJJETQWOBUSRW-UHFFFAOYSA-N	219.310	-0.518	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ccc[nH]1	404954317	VHRMNVPWZINGSQ-UHFFFAOYSA-N	230.032	-0.053	50	10	BBGE	
CO[C@H](C)C(=O)NCc1cccc(B(O)O)c1	404996325	GZRGERBHEBKMPY-MRVPVSSYSA-N	237.064	-0.983	50	10	BBGE	
CCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405010207	SRUFQHLTMRCHOY-MRVPVSSYSA-N	221.065	-0.046	50	10	BBGE	
Cc1nocc1C(=O)Nc1cc(B(O)O)ccn1	405031361	PKRURMYUDGJJDD-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC[C@H](C(=O)NC)N1[C@H]2CC[C@H]1C(=O)OC2=O	703421049	AFZVRNWGEFIXEQ-CSMHCCOUSA-N	240.259	-0.573	50	10	BBGE	
CC(C)C[C@@H](NC(N)=O)C(=O)N(C)N	704706562	NDDPZVHCOSYJCF-ZCFIWIBFSA-N	202.258	-0.599	50	10	BBGE	
CCO[C@H]1CCN([C@H](COC)C(=O)NN)C1	706445993	GPTPNFGRYILTSR-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2CCOC[C@@H]2Cl)n1	706704002	CCCSHKXTQUXNNO-NTSWFWBYSA-N	245.670	-0.664	50	10	BBGE	
CNC(=O)CC(=O)NNc1nc(C)cc(C)n1	771993600	QVZKRCKOSIRFEW-UHFFFAOYSA-N	237.263	-0.327	50	10	BBGE	
C[C@H]1CN([C@H](C)CNC(=O)NN)C[C@@H](C)O1	848605109	JLYWXBNEGVNYRP-HLTSFMKQSA-N	230.312	-0.343	50	10	BBGE	
Cc1cc(C=NNC(=O)[C@H]2COCCO2)on1	857208846	JYSWSLLLMIVUIL-SECBINFHSA-N	239.231	-0.151	50	10	BBGE	
CN1CCC(=NNC(=O)C(N)=O)CC1(C)C	863065762	HSPGZWQJJZLQKQ-UHFFFAOYSA-N	226.280	-0.552	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@H](C)CO2)n1C	898975041	GJGHFCUTYCIXFP-XPUUQOCRSA-N	239.279	-0.008	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@@H]1CCCO1	907628015	UIFPVLWZZYKBOW-SFYZADRCSA-N	244.291	-0.280	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)C[C@H](C)O)c1C	910168101	OSHAZJZXHMFHMU-LURJTMIESA-N	226.280	-0.016	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)OC	1182158227	RSDSEJOKBHFSBO-LURJTMIESA-N	200.194	-0.588	50	10	BBGE	
COC(=O)NNC(=O)[C@@H](C)n1cnc(C#N)n1	1321164870	ONDKXHGXRAEXGE-RXMQYKEDSA-N	238.207	-0.902	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNC(=O)c1cn[nH]c1	1461838563	YKEWHFKMTSKBCH-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
O=C(NNc1ccncn1)c1cc(CO)on1	1468214686	NBDXPTUTUVNPKM-UHFFFAOYSA-N	235.203	-0.286	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)c1ncccn1	1630233952	CLAVZDSSCWBYFB-UHFFFAOYSA-N	230.174	-0.107	50	10	BBGE	
O=Cc1c[nH]c(C(=O)NNC(=O)c2ncon2)c1	1648116728	YSSMMFVPVJUEQH-UHFFFAOYSA-N	249.186	-0.715	50	10	BBGE	
COC1(C(=O)NN)CN(C(=O)OC(C)(C)C)C1	1880030270	KNBGBVKGUMQITE-UHFFFAOYSA-N	245.279	-0.388	50	10	BBGE	
N[C@@H](CO)C(=O)NCC1CC(Cl)C1	1883649993	ZENWGQRLBFGCFN-AHXFUIDQSA-N	206.673	-0.560	50	10	BBGE	
CS(=O)(=O)CC[C@H](NC(=O)F)C(=O)O	1887186207	JVBBYYMSZICVGN-BYPYZUCNSA-N	227.213	-0.447	50	10	BBGE	
C=C(CO[C@H]1CCOC[C@H]1F)B(O)O	1895168935	FYJKBCCXOBCMON-SFYZADRCSA-N	204.006	-0.302	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@@H]2C(=O)NN)C1	1899510285	PLXWEDQJTFWXCR-ZJUUUORDSA-N	227.308	-0.419	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cnsc1B(O)O	1900467424	RXPYKMVSNQFXAL-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
OB(O)c1cccc(F)c1OC[C@H]1CCO1	1901369006	VXMQAXYJJNGZFJ-SSDOTTSWSA-N	226.012	-0.327	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2COC[C@H]21	1901765523	VVYGVPNMNUYUTB-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
Cn1nccc1CN1CC[C@](C)(B(O)O)C1	1902515184	CVSMKUZSQTYRNJ-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	1909669992	BYAIVOZSXZIVHE-UWVGGRQHSA-N	240.307	-0.939	50	10	BBGE	
Cc1nc(C)n(C[C@H]2C[C@H]2C(=O)NN)n1	1927911215	MQECUTITRQOUKW-HTQZYQBOSA-N	209.253	-0.479	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2C1=O	1928141833	HBWRXOCMZHMNCL-KVPKETBZSA-N	209.249	-0.909	50	10	BBGE	
NNC(=O)c1occc1CN1CCC1=O	1928993155	ZKGAYXRLDWAOFX-UHFFFAOYSA-N	209.205	-0.385	50	10	BBGE	
CS(=O)(=O)C1CN(C(=O)CCCl)C1	1932098196	RDZAPDRJEIAELC-UHFFFAOYSA-N	225.697	-0.129	50	10	BBGE	
Cc1csnc1C(=O)NNC(N)=S	1932794666	CJESCTFSWNKIHI-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
C[C@@H](C[C@@H]1CCCS1(=O)=O)NC(=O)NN	1935061755	QKEUVXHFUDUTBV-BQBZGAKWSA-N	235.309	-0.485	50	10	BBGE	
O=C(CCn1cnnn1)NCCOCCCl	1937147551	XZEUQOTZRACNTA-UHFFFAOYSA-N	247.686	-0.565	50	10	BBGE	
NNC(=O)COCCN(CCO)C1CCCC1	1941784702	SDORCHOBDBZFQA-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1[C@H]2COCC[C@@H]21	1945076301	XYHBSYODMXQHAG-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
COCCOCCN(C)CC1(C(=O)NN)CC1	1945884893	YFBVJROYMJWNIQ-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCN(C)CC2)C1	1947143142	WFVFARMWXHYSPP-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277077	LKBVVWGRYJVIIE-XXFSISAASA-N	241.335	-0.011	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951018173	JLBRRDKSIGTHGA-VPOLOUISSA-N	241.335	-0.154	50	10	BBGE	
O[C@@H]1CON(C[C@@H](O)CBr)C1	1953287331	GWUNHSYSKYOAMG-WDSKDSINSA-N	226.070	-0.650	50	10	BBGE	
CN(CCBr)[C@H]1CC(=O)NC1=O	1953694389	YFDFTILARIAXKM-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
O[C@@H](CCl)CN1CC(O)(C(F)F)C1	1954060590	XEUGRCOWTOVACU-YFKPBYRVSA-N	215.627	-0.102	50	10	BBGE	
NNC(=O)N[C@]1(C(F)(F)F)CCOC1	1956616771	JLWYDJLQRJBEQU-RXMQYKEDSA-N	213.159	-0.119	50	10	BBGE	
CC(=O)NNC(=O)CSc1cc[nH]n1	1957142317	OMNAUTWCSKPMNQ-UHFFFAOYSA-N	214.250	-0.331	50	10	BBGE	
CC(F)(F)[C@@H]1CCN(C(=O)C(=O)NN)C1	1958618520	HZYHTYLTPNKYCY-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
C[C@]1(NC(=O)C(=O)NN)CCCC1(F)F	1961493693	TWLBQUGSXQDGEN-ZETCQYMHSA-N	221.207	-0.330	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ncncc1B(O)O	1961778107	LXAPLTJFJKWLDG-XPUUQOCRSA-N	207.042	-0.999	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961926989	PNMNUTKRNFGIJW-WHQQTDPMSA-N	233.695	-0.042	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1976086239	BNJOZHZKUBMQDJ-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CCF)C1	1979205622	OKFNBHZEBWCQPI-RKDXNWHRSA-N	233.287	-0.327	50	10	BBGE	
CCCN(C[C@H]1CCOC1)C(=O)C(=O)NN	1980761899	PGDSSAPYEXXQPN-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]([C@@H]2CCCO2)C1	1981082217	HZVZPNWPYJLFRI-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CC1(C)CCCN1c1ncncc1B(O)O	1981414632	UPYOTLLLXQJCNK-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
OB(O)c1cncnc1OC1CC(F)(F)C1	1981423231	ASFNKMAWGOSRII-UHFFFAOYSA-N	229.979	-0.667	50	10	BBGE	
C[C@H]1COC[C@H](C)N1c1nc(B(O)O)cs1	1981468740	HUOGGMOWRKWYHJ-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1982259892	DZBCSYMAGPWJLK-UTINFBMNSA-N	227.308	-0.421	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1983568665	WKPRDLCEZNKWPW-KYXWUPHJSA-N	227.308	-0.544	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1984192957	JRGNJFZJXGIGOK-XFWSIPNHSA-N	227.308	-0.400	50	10	BBGE	
COC[C@@H](OC1CC(N(C)C)C1)C(=O)NN	1986221024	IERLAIBKAVCRCF-AMDVSUOASA-N	231.296	-0.900	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2C[C@@H]21	1988002614	ZOSPDXUACLGNKA-RCOVLWMOSA-N	222.028	-0.501	50	10	BBGE	
O=C(NCC=CB(O)O)c1cncc(O)c1	1991333981	DJVWXKHVOQSMHS-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
COCC1(CNC(=O)C=CC(=O)Cl)CNC1	1991647375	CQRHUJYWNLJICS-UHFFFAOYSA-N	246.694	-0.340	50	10	BBGE	
COCCO[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	1996764972	UXPRCEYZBBCHBS-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ncccc1B(O)O	1998447331	DTZQOTVDKJZXMX-QMSLJYSESA-N	234.064	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCn1cccn1	2003826583	VRACCCFINKAKLM-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
CN(C[C@H]1CCCO1)c1ccc(B(O)O)cn1	2004917739	DUXKOFSCDPRPJG-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1ccnc(O[C@H]2COC[C@@H]2C)c1B(O)O	2004925589	SCBFAVRXDOPJDE-IUCAKERBSA-N	237.064	-0.516	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@H]2CCCO2)n1	2004932164	RHZHMSVMHDGXTC-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
Cc1cc(B(O)O)cnc1Sc1cnn(C)c1	2004991779	VHZNIASLUNBADV-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CC(C)C(=O)NCCc1cccc(B(O)O)c1	2008786004	RWIYVTLLCILRNU-UHFFFAOYSA-N	235.092	-0.319	50	10	BBGE	
O=c1ccc(B(O)O)cn1COC1CCCC1	2008840551	OBYVJEAONSFQHO-UHFFFAOYSA-N	237.064	-0.555	50	10	BBGE	
NNC(=O)C(F)(F)O[C@H]1C[C@@H](n2cnnc2)C1	2012099593	MHYBJWHDMRUWSN-OLQVQODUSA-N	247.205	-0.419	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2015729244	FPNMDGQBUWBIAS-ZCFIWIBFSA-N	237.068	-0.551	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2[C@@H](CCCC2(F)F)C1	2015844320	MOWIHHCQUSTOGA-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
CC(=O)NNC(=O)CN1CC([C@@H]2CC2(F)F)C1	2019206960	BBSLCWVQSPHCTC-QMMMGPOBSA-N	247.245	-0.259	50	10	BBGE	
COC[C@H](CC(C)C)C(=O)NCC=CB(O)O	2020068245	PGNXRCDLZQBWNF-JTQLQIEISA-N	243.112	-0.021	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@@H]2CCC[C@H]2C1	2020069084	XQMFSAGVYFIPRY-UWVGGRQHSA-N	238.096	-0.004	50	10	BBGE	
NNC(=O)C1(CN2Cc3cncnc3C2)CC1	2025621304	IPXKQTIPJQGWQC-UHFFFAOYSA-N	233.275	-0.438	50	10	BBGE	
CN(C)C[C@H]1CCCN1c1ccc(B(O)O)cn1	2052472671	NEWZGQYAWHCLGL-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
COc1nc(N2C[C@H]3CC[C@H]2C3)ncc1B(O)O	2052622262	RKTWGXOBESLICO-YUMQZZPRSA-N	249.079	-0.846	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCCc1cccc(B(O)O)c1	2058070290	ZXKWGRXRBZIUSG-JOYOIKCWSA-N	247.103	-0.319	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@@]12CCOC2	2077648050	MCAXKQHIGCYDEJ-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
OB(O)c1ccccc1COCC1[C@H]2COC[C@H]12	2080346911	ONPHQHMCKWITKW-VXGBXAGGSA-N	248.087	-0.225	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC[C@H]3C[C@H]32)n1	2085930470	XVYIADAWLNUUNT-IVZWLZJFSA-N	248.091	-0.049	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1nscc1B(O)O	2211138254	RURBRDHZUJXQCG-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2212096640	COEAYCAFRWHFMY-KYXWUPHJSA-N	227.308	-0.257	50	10	BBGE	
C[C@H](N)[C@@H](C)COc1ccc(B(O)O)cn1	2212609898	ZCDWAMGMKPHZQK-YUMQZZPRSA-N	224.069	-0.877	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2C(F)F)c1	2212609972	AETAPKPOJUNSDI-ZETCQYMHSA-N	228.007	-0.395	50	10	BBGE	
OB(O)c1ccnc(N2CCOC3(CC3)C2)c1	2217171487	BDRMMXMRDUULPC-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
N[C@H](COc1ncccc1B(O)O)C1CCC1	2217171658	FNBCQUCFQNYBLK-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CC[C@H](C)N(CCO)c1cc(B(O)O)ccn1	2217176314	UVDZJUXTUVRFNC-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1ccnc(NCCc2nccs2)c1	2217178405	VQUYJRBFBLTTDY-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H](C)N1	2220067292	UZXWLEMOHJDOKU-GHMZBOCLSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@H]2C[C@@H]3O)c1	2220071617	LDIKBBVWQDWBBW-WXHSDQCUSA-N	247.103	-0.679	50	10	BBGE	
CC1(C)[C@H](CN)CCN1c1cc(B(O)O)ccn1	2223635490	XSDJSOGZSLRPPN-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2CC=C[C@]2(C)CO)cc1B(O)O	2223649531	ANEFXGDMQHMTLJ-GFCCVEGCSA-N	248.091	-0.803	50	10	BBGE	
Cn1ccnc1CCNc1cc(B(O)O)ccn1	2223669776	OIRWRVGUALBQDF-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
O=C(NNCCO)N[C@@H]1CCSC1	2241346567	NLAPMVMZDAQPNF-ZCFIWIBFSA-N	205.283	-0.712	50	10	BBGE	
O=C(Cn1cnnn1)NC/C=C/CCl	2242030342	JVKZLULEZXLSRN-OWOJBTEDSA-N	215.644	-0.416	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)s1	2243356580	JYHRKJLWLLJBES-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
CCCCN(O)C(=O)c1cc(B(O)O)c[nH]1	2243361681	FMMWKBIAINWVPG-UHFFFAOYSA-N	226.041	-0.674	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1NC(=O)C#CB(O)O	2243362892	XXEFBNWJBHGCON-DOLQZWNJSA-N	221.065	-0.447	50	10	BBGE	
CCCOCCNC(=O)C1CC(B(O)O)C1	2243390875	CJPYMRRLWFYZBT-UHFFFAOYSA-N	229.085	-0.218	50	10	BBGE	
CCCNC(=O)c1c(F)cccc1B(O)O	2243397501	CKFNAVWQSKBBFP-UHFFFAOYSA-N	225.028	-0.355	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1C(=O)C1CC(B(O)O)C1	2243413554	IXAXFHDBGDKGLT-MDVIFZSFSA-N	226.085	-0.813	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cc(B(O)O)cs1	2243419720	FPBWRZIHTWDMRS-MRVPVSSYSA-N	239.105	-0.044	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1COC2(CCC2)C1	2243872537	TWSVAFMPRJALTB-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
CC(C)(C(=O)NCCC#CB(O)O)C(F)F	2244548157	LICATRLACOSRRH-UHFFFAOYSA-N	233.023	-0.201	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2247732124	CCBMYMGNRQRTMR-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CCC1	2247740951	RYXXPNKRCYASRJ-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1ccoc1B(O)O	2247741407	ZFVRAVYHAJTHHN-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
CC(C)CCONC(=O)c1occc1B(O)O	2247753435	HBGWUBFBGDBAJD-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1NC(=O)C1(B(O)O)CC1	2247758883	YHPQRMWCCSSMAB-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CNCC12CCC2)[C@H]1C[C@H]1B(O)O	2247799672	GTGLYRPXYPDLOA-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
Cc1nnc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)o1	2247799885	JGLVNSYKVKVJRY-RNFRBKRXSA-N	239.040	-0.801	50	10	BBGE	
O=C1CC2(CCC2)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247805426	KEAOSBBSVKLCOP-SFYZADRCSA-N	237.064	-0.222	50	10	BBGE	
CC1(O)CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247806380	FKRDEJUUYVTUQL-UVCIYIGYSA-N	241.096	-0.341	50	10	BBGE	
CCN(C[C@@H]1CCCN1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808335	KTOBHEQRNAIPQH-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
NCc1ccc(NC(=O)C#CB(O)O)cc1F	2247848942	SMFPAWRVVKZFMX-UHFFFAOYSA-N	236.011	-0.762	50	10	BBGE	
CCCCNC(=O)c1nccc(C)c1B(O)O	2247858598	GBDRLDHQYPVQHC-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
O=C(NC1CC(CF)C1)c1ccoc1B(O)O	2247865980	DLDLDDUOMGGPCY-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
CCCN(O)C(=O)c1ccc(F)cc1B(O)O	2247876818	WDMZEFLHKOAKJE-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
CC1(CN)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247886889	HNRHQTVIZWJHTR-BDAKNGLRSA-N	240.112	-0.563	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@H]1B(O)O	2247887723	RDZXKQSWOCQAMS-GRDBIXFFSA-N	239.080	-0.800	50	10	BBGE	
Cc1cc(C(=O)NCCC2CC2)oc1B(O)O	2247892168	VKNMXYMPHGUQGW-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCC[C@@H]1CCO	2247894096	CHEFBAMTGGYJHP-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
C=CCC(=O)N1Cc2ccc(B(O)O)cc2C1	2248420516	VSNXYMUYQMAUCT-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2248476833	WVOWUJSYQDMVAH-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCN1	2249945591	QCZYLTYRJVAAMG-DOLQZWNJSA-N	240.112	-0.504	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2253139337	UKLMQUOFHJIKDW-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H](NC(=O)c1ccncc1B(O)O)C1CC1	2255454949	YRLVPLFRVJONEF-LLVKDONJSA-N	248.091	-0.320	50	10	BBGE	
COc1ccccc1[C@H](C)NC(=O)C#CB(O)O	2255470044	XPYBCTZRBUIUGD-VIFPVBQESA-N	247.059	-0.112	50	10	BBGE	
NCCc1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cc1	2255564380	OWGIETUOGARKJX-WDEREUQCSA-N	248.091	-0.011	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CCCC[C@@H]21	2255676745	WESUISDHOGKCBT-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1cncc(B(O)O)c1	2255715404	FHQDMGHLJZMTKD-MNOVXSKESA-N	246.075	-0.710	50	10	BBGE	
CCC1(N(C)C(=O)c2ccncc2B(O)O)CC1	2255726962	YOXGAXLEEHMLKY-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1ccc(C)cc1B(O)O	2255729866	CAKNEIFXMCLQQG-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CC(C)C1	2255762946	DETWGUMDTYLJIY-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
COc1cc(C(=O)N2CC=CC2)ccc1B(O)O	2255765921	WKQJNDPXITYFCK-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
O=C(NCCC1CCC1)c1nccnc1B(O)O	2256069142	IWLBUMUBQQHALM-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368365	AFPVXZXUFSVISF-UTINFBMNSA-N	240.112	-0.375	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2299249778	PNWQTTMVRCBOTA-SGIHWFKDSA-N	239.080	-0.613	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@H]1C[C@H]1C(=O)NN	2299337642	JYGDPDBWOIFCND-ZNSHCXBVSA-N	239.319	-0.376	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1[C@H]2COC[C@H]21	2302546436	WXQMKLSCRUWAQW-BRPSZJMVSA-N	235.048	-0.967	50	10	BBGE	
N[C@H](CNc1ccc(C=O)c(B(O)O)c1)C1CC1	2317307737	DDBXPJVJAJJARK-GFCCVEGCSA-N	248.091	-0.672	50	10	BBGE	
COc1cnn(-c2ccc(C=O)c(B(O)O)c2)c1	2317311174	LYMCXRRJZWKZNS-UHFFFAOYSA-N	246.031	-0.627	50	10	BBGE	
CC1(O)CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2317311932	YEQOJUJNZBJVFV-UHFFFAOYSA-N	249.075	-0.496	50	10	BBGE	
CCOC(=O)CNC(=O)NC(=O)CCl	37472678	AXYYXCIOQPRKPB-UHFFFAOYSA-N	222.628	-0.386	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccc(O)cc1	41125081	PQXSBXLOXZCLEM-UHFFFAOYSA-N	230.245	-0.414	50	10	BBGE	
NNC(=O)C(=O)N1Cc2ccccc2C1	50912888	KVDPEQKJQQKSSI-UHFFFAOYSA-N	205.217	-0.481	50	10	BBGE	
CCN(CCN(C)C)C[C@H](C)C(=O)NN	58850880	FBLXUUYOJQLWJB-VIFPVBQESA-N	216.329	-0.504	50	10	BBGE	
NNC(=O)c1nc(Cn2cncn2)cs1	82468480	JBLUEXUTUUDNNS-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
CCN1CCC(N(C)CCC(=O)NN)CC1	82470118	DKOJCYGXWHFXDS-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])c1	82471296	SORIFOCGQXGGQH-ZETCQYMHSA-N	227.224	-0.022	50	10	BBGE	
CN1CC(N2CCNCC2)=C(C#N)C1=O	90397914	DXDXBOVNLNMHKL-UHFFFAOYSA-N	206.249	-0.859	50	10	BBGE	
NNC(=O)c1cc(Cn2ccccc2=O)on1	110579094	XAQCXIZXANPAAQ-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)C1CC1	121351887	VNLVNNPRUMJUIQ-UHFFFAOYSA-N	208.221	-0.111	50	10	BBGE	
NCCCC[C@H](NC(=O)CCl)C(=O)O	137685585	WDRQJSZKRHHRHO-LURJTMIESA-N	222.672	-0.076	50	10	BBGE	
CC[C@](C)(C(=O)NN(C)C)/C(N)=N/O	149704333	FWUFFXUBEMFOHE-QMMMGPOBSA-N	202.258	-0.258	50	10	BBGE	
Cn1cnn(C[C@H](O)CBr)c1=O	156263896	CLGKFPLULUNJES-RXMQYKEDSA-N	236.069	-0.662	50	10	BBGE	
O=C(c1c[nH]nn1)N1CCOC[C@H]1CCl	159442282	JAUUHNNJZQPXHC-ZCFIWIBFSA-N	230.655	-0.116	50	10	BBGE	
COCCNC(=O)[C@H](C)NC(=O)[C@@H](C)Cl	161794552	YVBSYIYCXMMZFB-RQJHMYQMSA-N	236.699	-0.119	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CCN1C	216742883	RCGNSYMXPSTYGE-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCO)CC(F)F	231593149	OIBLDOGOBXWZEB-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C(C)(C)CO	231974887	HLGDKEZDYKVLGD-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
COCCOCCCN1CC(=O)OC(=O)C1	234681003	SFXKJAKNXDFVGD-UHFFFAOYSA-N	231.248	-0.575	50	10	BBGE	
CC(C)=NNC(=O)CC[C@@H](N)C(=O)O	238176324	SBXWQHRFBOCORI-ZCFIWIBFSA-N	201.226	-0.310	50	10	BBGE	
CNNC(=O)Cc1ccc2oc(=O)[nH]c2c1	258951670	FCNSECQBEXADFK-UHFFFAOYSA-N	221.216	-0.086	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](CO)O[C@H](C)C1	299959885	IUSUOKZRSUUNSM-RGOKHQFPSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300238236	LUPKNHBUZROUKR-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
O=C(CBr)N[C@H]1COC[C@@H]1O	306281567	XEBKKLLEKXTUCH-WHFBIAKZSA-N	224.054	-0.743	50	10	BBGE	
CN(C)NC(=O)N1CC(C)(C(=O)O)C1	307489249	FGGHCXAIHRFMMP-UHFFFAOYSA-N	201.226	-0.421	50	10	BBGE	
Cc1ccn(-c2cc(F)cc(B(O)O)c2)n1	309522644	YSPLCISLXDRLHC-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
C[C@@H](CN1CCC[S@@](=O)CC1)C(=O)NN	321865999	JYPCZQQAZOBGKQ-VXJOIVPMSA-N	233.337	-0.933	50	10	BBGE	
NNC(=O)c1coc(CSCCO)n1	386937748	GVLJKRUSZYMOIW-UHFFFAOYSA-N	217.250	-0.496	50	10	BBGE	
CC(=O)NNC(=O)COc1ccccc1CN	393852368	ZMFARLHXNRBIHK-UHFFFAOYSA-N	237.259	-0.309	50	10	BBGE	
CCOC(=O)CCc1ccc(B(O)O)c(C#N)c1	396112572	RXNJNXNNOFYMMV-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
Nc1ccc(CO)c2sc(B(O)O)cc12	396252708	UKRDZHPRUIBYJB-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1CC[C@H](N=C=O)CN1S(=O)(=O)N(C)C	397118553	YTOYCCKVZTXIHI-BDAKNGLRSA-N	247.320	-0.019	50	10	BBGE	
CO[C@H](COc1cncc(B(O)O)c1)C1CC1	400117298	JIKKYEGLABCUGN-LLVKDONJSA-N	237.064	-0.435	50	10	BBGE	
N#C[C@@H]1CNN2C(=O)C[C@H](CCl)N[C@H]12	575626733	JGQRVQHXWWULMC-JKMUOGBPSA-N	214.656	-0.600	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C[C@H](Cl)C#N	690292858	HETURLRZZZJBKQ-RKDXNWHRSA-N	219.716	-0.028	50	10	BBGE	
COC[C@@H]1CCCN1[C@H](COC)C(=O)NN	702770382	XZLQOBIXYUCTMY-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1cccc(B(O)O)c1	703518849	QRLGZXMGNBEASE-SKDRFNHKSA-N	236.076	-0.082	50	10	BBGE	
CNNC(=O)c1c(C)c(C)nn(C)c1=O	704623860	PIKXODKQTUTCNX-UHFFFAOYSA-N	210.237	-0.739	50	10	BBGE	
CCOC[C@H](O)CN1CCC(O)(C#N)CC1	709390605	MFFLYSUJULSDFN-SNVBAGLBSA-N	228.292	-0.266	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1CCc2ccc(B(O)O)cc21	713063110	XGBHLCHCUBQXDO-KWQFWETISA-N	245.087	-0.089	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H](F)[C@H](F)C2)cc1	714518222	LTEMCALIDIMJNS-GHMZBOCLSA-N	241.046	-0.142	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]2C1	718259123	JHKDAVFRHZFZTJ-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN1CC[C@@H]2OCC[C@@H]2C1)C(=O)NN	724815403	DFIRRXZPANDSNE-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	725674057	WMZKFSYQBDIGKM-SRQIZXRXSA-N	220.656	-0.939	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC[C@@H](C)N	831944624	DDZLUTQUUZQZSB-SSDOTTSWSA-N	216.285	-0.194	50	10	BBGE	
O=C(NNc1cnccn1)[C@@H]1[C@H]2COC[C@H]21	832394719	AFJYNLJQPXOONV-QMSLJYSESA-N	220.232	-0.188	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)ccc1F	1538785638	JBWUQZBZQUQILP-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1ccccn1	1540413870	WZKOITLJDHQSSX-JTQLQIEISA-N	248.286	-0.063	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)C1=COCC1	1557463321	CDJWIQKCKRIPBX-UHFFFAOYSA-N	222.204	-0.525	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)C[C@H](C)O)n[nH]1	1625938954	ZBLBYZKUAFRHIY-VIFPVBQESA-N	240.307	-0.005	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)Cc2cccnc2)C1	1627486465	QPAUPOKNACSDAG-UHFFFAOYSA-N	247.254	-0.249	50	10	BBGE	
O=C(NCc1cnc[nH]1)c1cccc(B(O)O)c1	1634073925	KINZIIPSSJADSE-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
N#Cc1c[nH]c(C(=O)NNC(=O)c2ncon2)c1	1648112711	YTRZVKYKUNYQIH-UHFFFAOYSA-N	246.186	-0.656	50	10	BBGE	
Cn1ccc(NNC(=O)c2c[nH]c(C(N)=O)c2)n1	1654550551	VEUALJNYOUORJI-UHFFFAOYSA-N	248.246	-0.396	50	10	BBGE	
NNC(=O)NCCCc1nncs1	1883217057	NKTOCVPVHDAQDU-UHFFFAOYSA-N	201.255	-0.356	50	10	BBGE	
O=C(F)NCCn1cc(C(=O)O)nn1	1887186850	SPBSHVQRUJNNGR-UHFFFAOYSA-N	202.145	-0.345	50	10	BBGE	
CC=CCOCc1nscc1B(O)O	1887983726	XZFFLKXSNKBNPQ-UHFFFAOYSA-N	213.067	-0.084	50	10	BBGE	
C[C@H]1C(Cn2cc(B(O)O)ccc2=O)[C@@H]1C	1895754092	CJWZJXWGBHIORU-HTQZYQBOSA-N	221.065	-0.570	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cnsc1B(O)O	1900451963	PCFLAOXBZWBBCZ-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
C[C@@H]1C[C@H]1S(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902510976	FPHGEARTVCHHDJ-IWSPIJDZSA-N	247.125	-0.337	50	10	BBGE	
C#CC(C)(C)Oc1cc(B(O)O)c(F)cn1	1903008854	BLLPNFDSVCRZNA-UHFFFAOYSA-N	223.012	-0.309	50	10	BBGE	
N=C(C[C@@H](O)CNC[C@@H]1C[C@H]1Cl)NO	1903813246	CAKRTKNIAVHFNT-RRKCRQDMSA-N	221.688	-0.090	50	10	BBGE	
C[C@@H](C[C@H]1CCOC1)n1ccc(B(O)O)n1	1905268334	ZBNUXLMUXKFOIW-DTWKUNHWSA-N	224.069	-0.450	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@@H]2C[C@@H]2C1	1907072617	MWSNKILMPQHYJZ-IWSPIJDZSA-N	234.064	-0.276	50	10	BBGE	
CCOCCOC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909804414	FSLBSEWDSPQINL-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C[C@@H]1C[C@H]1C(=O)NN	1911522805	CIQJEGCWJDAWCP-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CN1CC[C@H](O)C12CCC2)C(=O)NN	1914396508	OGOLWFGYYTTXQY-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C#CC1(O)CN(C(=O)CBr)C1	1917121986	WOJBUFGGMAWNJH-UHFFFAOYSA-N	218.050	-0.412	50	10	BBGE	
O=S1(=O)C[C@H](NCC(Cl)Cl)CN1	1923934256	PWUNTKGSWKXGJX-SCSAIBSYSA-N	233.120	-0.319	50	10	BBGE	
Cn1cnnc1SC[C@H]1C[C@@H]1C(=O)NN	1927917750	MONSFIZAUIJULM-RITPCOANSA-N	227.293	-0.467	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NN)C1	1928135101	RHBYLMIJSUIWCZ-RNFRBKRXSA-N	235.309	-0.485	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)C2(CC2)C1)C(=O)NN	1930236126	WAOOCMCZXMANLB-JGVFFNPUSA-N	213.281	-0.931	50	10	BBGE	
CN1C[C@H](O)[C@@H](N2CC=C(C#N)CC2)C1	1935163432	TVLPJZJVKWULRZ-QWRGUYRKSA-N	207.277	-0.183	50	10	BBGE	
CN(CCCCCO)C[C@H]1C[C@H]1C(=O)NN	1936095681	ZWEVEOQSVWFZKF-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C(F)(F)F	1938547968	PBVGRBUCCOGPHB-WDSKDSINSA-N	243.229	-0.126	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]2C1=O	1940086223	BJBCFANZEVVYOA-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1941085718	FJUXGMLLULRLKA-UKKRHICBSA-N	238.335	-0.609	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCNC(=O)CC1	1941630295	BKIMKPGUESHXGG-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
CN(C)C[C@@H]1CCCN1CCOCC(=O)NN	1941784328	NLEVBVHDPYSGES-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
COC[C@]1(O)CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	1946478628	FRUPPSGALHPHIF-YWVKMMECSA-N	245.323	-0.916	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@@H]1CCl)C1COC1	1954307393	CANPKBZFGZGCLA-VDTYLAMSSA-N	225.697	-0.068	50	10	BBGE	
NNC(=O)c1sncc1CN1CCC1	1957060540	NZQNNRKPLVEQHH-UHFFFAOYSA-N	212.278	-0.048	50	10	BBGE	
OB(O)c1cc(N2CCCCC2)ncn1	1958056484	BJYSIOSQKBDUSZ-UHFFFAOYSA-N	207.042	-0.853	50	10	BBGE	
C[C@H](CN1C(=O)CC12CCC2)C(=O)NN	1958163054	SSVOEIXZPGXDBX-SSDOTTSWSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](CCl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1961459951	GCHHPSQNQHBDQX-WDSKDSINSA-N	232.667	-0.265	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@](C)(C#N)C1	1961472059	IRJBZULEPAGUCY-WPRPVWTQSA-N	210.281	-0.010	50	10	BBGE	
CON(CC(C)(C)C(=O)NN)[C@@H]1CCOC1	1978751204	UYMJAKVBIPFETH-MRVPVSSYSA-N	231.296	-0.345	50	10	BBGE	
CCCN(CC(=O)NN)Cc1ccnn1C	1980753753	VLPYUBVDTMHXAZ-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ccncc2B(O)O)C1	1981427477	VATLELSKTFWRGC-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
CN(Cc1cocn1)c1nc(B(O)O)cs1	1981469163	NTRVNEYLMLEDOU-UHFFFAOYSA-N	239.065	-0.553	50	10	BBGE	
C[C@@H]1C[C@H](N(C)c2nc(B(O)O)cs2)CO1	1981472109	NSFULWSOIRFZED-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)CC1(C)C	1986377882	HJKFOSDLRWKWAU-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)NC[C@H]1CCOC12CCOCC2	1988798844	GCWDIEAFDNBIDI-MRVPVSSYSA-N	229.280	-0.255	50	10	BBGE	
C=C[C@]1(O)CCN([C@H](C)[C@H](C)C(=O)NN)C1	1990539395	KSPGHCOWHGZIBA-NGZCFLSTSA-N	227.308	-0.376	50	10	BBGE	
CCCOCCOC(=O)NCC=CB(O)O	1991331021	NVKLYANSTZFMME-UHFFFAOYSA-N	231.057	-0.293	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1cc(F)cn1	1992089604	KCDOHQWANIAVEO-UHFFFAOYSA-N	224.963	-0.775	50	10	BBGE	
C=C(CN1[C@H]2CC[C@@H](C2)CS1(=O)=O)B(O)O	1992160245	UXMUCLXJKOBOMU-IUCAKERBSA-N	245.109	-0.631	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CNC[C@H]1C	1996966993	DSYYAVQJRUKGJE-RKDXNWHRSA-N	242.323	-0.917	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(C)C)C1CNC1	1997624880	BGMKHQKTIFSSOE-UHFFFAOYSA-N	242.323	-0.917	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)N1CCC1	1998340885	VMDCLFCIQGUMPR-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H](F)C1	2003505778	HXOGPMLHZQBAOV-ZETCQYMHSA-N	241.270	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCCNC1=O	2004248523	XTKLUZYCXANNDJ-XHNCKOQMSA-N	242.323	-0.789	50	10	BBGE	
CON(c1ncc(B(O)O)cn1)C1CCCC1	2004917426	CEIRHHLNLCRLPK-UHFFFAOYSA-N	237.068	-0.533	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H](C)C2)n1	2005015417	AGTGZRKNOLOBMC-SSDOTTSWSA-N	235.096	-0.381	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3C[C@@H]32)n1	2005017553	HCLNPIVBLMTBIF-IUCAKERBSA-N	233.080	-0.628	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC2(CC(O)C2)C1	2005805136	DBGLQIORPIFLLN-SKMKEBHYSA-N	241.335	-0.152	50	10	BBGE	
CC(C)N1CCN(C(=O)C(=O)NN)C(C)(C)C1	2006415696	AZCIFBUKDRIDMZ-UHFFFAOYSA-N	242.323	-0.693	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccccc1C(=O)NN	2011373880	RBMRKTXELIDAAX-KWQFWETISA-N	235.287	-0.145	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012905293	YXBCBFUKJFJGNS-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN1CCCC2(CC(O)C2)C1)C(=O)NN	2013331180	YCRRVRLSVBNAQV-GRZMOONWSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1COCCOC1	2014500598	ORTZSRVHMFPZMX-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2017291046	BZVWQMPVACJOII-FKSUSPILSA-N	249.261	-0.566	50	10	BBGE	
CCOCCOC[C@H]1CCC[C@H](C(=O)NN)O1	2018242278	FSLBSEWDSPQINL-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)CC(=O)NNC(C)=O	2019178527	GLKROZFMBSNCEZ-NXEZZACHSA-N	243.307	-0.632	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CC(=O)NNC(C)=O	2019209850	LYBPMJRGDJNVCH-LPEHRKFASA-N	241.291	-0.737	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@]23CCCOC3)c1	2021312659	QIQFRPJNNWBYKQ-KOLCDFICSA-N	236.080	-0.620	50	10	BBGE	
O=C(NN1CCCC1)c1ccccc1B(O)O	2022196123	HLAMXUBXJWNWJN-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
CN(CCC(=O)NN)Cc1cnc2cccnn12	2052148147	VJFYLKQBYJRMAW-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(O)(c2ccccc2)C1	2057648993	RLRREQHRKMLZMQ-SNVBAGLBSA-N	249.314	-0.042	50	10	BBGE	
N#Cc1cc(Cl)c(B(O)O)cc1[N+](=O)[O-]	2060100998	VGUGGBRJMFFAMA-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CO[C@H]2C[C@@H]1C2	2063130029	DPRYZUXOSWDZGB-DVVUODLYSA-N	248.091	-0.625	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCc2ccccc2B(O)O)C1	2063788979	GNPLVRGHZJECDP-HAQNSBGRSA-N	249.119	-0.024	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2c1ccncc1B(O)O	2067368496	ITDRHORIDUPOIP-UWVGGRQHSA-N	247.107	-0.956	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC2CC1C2	2069296743	XEBFVQPLTCZLPT-NWGYLPEXSA-N	247.107	-0.219	50	10	BBGE	
CCS(=O)(=O)CNC(=O)NCCCl	2209144204	LDUBYXMISXYPPO-UHFFFAOYSA-N	228.701	-0.083	50	10	BBGE	
C[C@@H](SC1CCNCC1)C(=O)NN	2209391571	MQKHIBXJICZQJC-ZCFIWIBFSA-N	203.311	-0.150	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2[C@@H](O)C[C@H]2C1	2210213113	IQXFHVWBVBWWJN-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@H](N)COc1ncccc1B(O)O	2212601881	VETNPLOGEVESMN-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
CCOC[C@H](C)Nc1ccc(B(O)O)cn1	2212602639	HIOYNVXSPRLDTQ-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)ccn1)[C@@H](C)N	2212608310	RMWODXKVMKRJOU-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
C[C@H]1[C@H](Nc2cc(B(O)O)ccn2)C1(F)F	2212612860	PQXZNVZIIUWJRX-XNCJUZBTSA-N	228.007	-0.173	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2212613320	UKZXRBSSBNBBFT-HTQZYQBOSA-N	221.069	-0.964	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1cccc(B(O)O)c1	2214605460	LOAGKLIBXXPRDA-BXKDBHETSA-N	235.092	-0.679	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)cc(O)n1	2214902537	IELBYRUGIDRBPW-UHFFFAOYSA-N	236.036	-0.606	50	10	BBGE	
N#CCCN(c1cc(B(O)O)ccn1)C1CC1	2217171351	AYQMPHDQXYOVBK-UHFFFAOYSA-N	231.064	-0.356	50	10	BBGE	
OB(O)c1ccnc(NC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c1	2217172249	INXQDPLLRXFUBJ-ZYUZMQFOSA-N	230.076	-0.172	50	10	BBGE	
C[C@H]1OCCN(c2cc(B(O)O)ccn2)[C@@H]1C	2217172497	KKCTUFJHPBNIBP-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
CCO[C@@H](C)CNc1cc(B(O)O)c(C)cn1	2217184239	REFBXMLALADHBZ-VIFPVBQESA-N	238.096	-0.093	50	10	BBGE	
C[C@]1(CCOc2ncccc2B(O)O)CCN1	2217185263	UVHQBVFXWJOOPO-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
NC1CC(COc2nccc(B(O)O)c2F)C1	2217187327	WMAYWOHYYCXCDV-UHFFFAOYSA-N	240.043	-0.983	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Nc1ccc(B(O)O)cn1	2217197649	PDCLGCJDRIFMRI-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OCC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2220060286	WMQAQAHHLCTKHD-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
C[C@]1(O)CCCN(Cc2cccc(B(O)O)c2)C1	2220060519	XVJUQLOZUZUCGP-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
C#CC[C@@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223646505	LKTSHSBJDJOBQV-LLVKDONJSA-N	244.103	-0.081	50	10	BBGE	
CC1(CN)CCN(c2ncccc2B(O)O)CC1	2223675160	UROKQAPDLRYSBQ-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
COC[C@H](O[C@@H](C)COC(F)F)C(=O)NN	2242793007	KPNYKDGUYCVQMC-WDSKDSINSA-N	242.222	-0.364	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H](F)C1	2243359007	NEKVWUJLEFONCC-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
C[C@@H](O)CCN(C)C(=O)C1CC(B(O)O)C1	2243404602	QSRIZVHNPVIOLU-AFPNSQJFSA-N	229.085	-0.531	50	10	BBGE	
O=C(NOCC(F)(F)F)C1(B(O)O)CCC1	2243410742	GZFPHLCUMRUHNI-UHFFFAOYSA-N	240.974	-0.006	50	10	BBGE	
C[C@@]1(C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2243758122	AKQWMTZBADTDJU-QMMMGPOBSA-N	227.025	-0.931	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]2CF)n1	2247142681	IZVCBPYRCSSZLI-SSDOTTSWSA-N	240.043	-0.682	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H]2CC[C@H]1OC2	2247747762	RYSKJZOURYMJDO-LPEHRKFASA-N	237.064	-0.924	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2247750281	GZPURDGPOBEFNR-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
O=C(N(O)C1CCOCC1)C1(B(O)O)CCC1	2247751426	XRAYTAXIZQVZDD-UHFFFAOYSA-N	243.068	-0.220	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccc(B(O)O)c(F)c1	2247751723	BFTCYSADIRZYBJ-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
O=C(NC[C@H]1CCNC12CC2)C1(B(O)O)CC1	2247753224	CZGRFWCDQBFBRK-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCC2)n1	2247754062	DIFUPMKPRVJOKZ-UHFFFAOYSA-N	234.064	-0.694	50	10	BBGE	
NCC[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758856	XGSVMPQCTPZNEE-VIFPVBQESA-N	240.112	-0.277	50	10	BBGE	
O=C(Nc1nccs1)c1ccc(B(O)O)cn1	2247771059	SOTANTHZPBUWEP-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2247790117	FQZFMUQQSJHSQF-BHQVJMJVSA-N	235.092	-0.038	50	10	BBGE	
CCONC(=O)c1cc(F)c(B(O)O)cc1F	2247842594	XGWWZFAZZJNSEG-UHFFFAOYSA-N	244.990	-0.674	50	10	BBGE	
CNCCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)C	2247852057	OEUYVFIZFHHRID-AOOOYVTPSA-N	242.128	-0.304	50	10	BBGE	
C=C1CCN(C(=O)c2cncc(B(O)O)c2)C1	2247868832	ILPAHVNEPRHUIQ-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1coc(B(O)O)c1	2247870810	QGOSRKVXYNYWJR-HTQZYQBOSA-N	235.048	-0.655	50	10	BBGE	
CC(C)(C)[C@](C)(O)CNC(=O)C1(B(O)O)CC1	2247878968	OPGPMLCWWFTWPT-SNVBAGLBSA-N	243.112	-0.093	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1cc(B(O)O)n[nH]1	2247885051	DXOXWPWYDJUQFA-SNVBAGLBSA-N	237.068	-0.896	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)[C@H]1C[C@@H]1B(O)O	2247887111	KHXHZZKEPQSZGQ-CIQUZCHMSA-N	238.096	-0.894	50	10	BBGE	
NC1CC(F)(CNC(=O)C2CC(B(O)O)C2)C1	2247892499	BTBDCGOHMYGHEL-UHFFFAOYSA-N	244.075	-0.815	50	10	BBGE	
CN1CCC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247893165	NHSADCVZWDNYKL-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896363	YQYUTUHMPWMENL-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2C[C@H]1CO2	2247896989	MPNIJEGQYNZASL-XKNYDFJKSA-N	239.080	-0.371	50	10	BBGE	
O=C(N[C@@H]1CC12CCOCC2)[C@H]1C[C@H]1B(O)O	2247897087	NUFGZRULOAANIO-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCC2(CNC2)C1	2247898124	AOCHQINONOWLJD-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@H]2B(O)O)n(C)c1C	2247898779	HQRGPAYORLGLLM-JGVFFNPUSA-N	237.068	-0.162	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCC1	2247900301	VQJCEEMEMIIWSP-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@H]2CC[C@@H]2C1=O	2248081596	SRJMTUPMBRBSNG-WHFBIAKZSA-N	247.201	-0.993	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248573293	BWDBRMHPYVQSCN-ZKCHVHJHSA-N	241.052	-0.661	50	10	BBGE	
C[C@H](CCCC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248574880	VQJMTTXAKQSUCC-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586332	ZIJIOLQASXMQNG-BWZBUEFSSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C1=CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248593404	MNSGPNICHMQDOA-XLPZGREQSA-N	239.036	-0.861	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC(C)C1	2248969511	DZXKGWYGJIOQFC-UHFFFAOYSA-N	234.064	-0.838	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1cc(B(O)O)co1	2249428183	OAHVFTQBCFHHLT-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
C=CC[C@@]1(CO)CCN(C[C@@H](C)C(=O)NN)C1	2250432029	YQFBXJXSJOQPSS-ZYHUDNBSSA-N	241.335	-0.127	50	10	BBGE	
CON(CC1CC1)C[C@H]1CC[C@@H](C(=O)NN)O1	2251005600	CAFWDBQHGUVXTR-ZJUUUORDSA-N	243.307	-0.203	50	10	BBGE	
C#CCC1CN(C(=O)c2cc(B(O)O)oc2C)C1	2255456859	UMTRNVFZLVOAFQ-UHFFFAOYSA-N	247.059	-0.637	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1ccc(B(O)O)o1	2255467331	LPAKELCLNANQHL-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
Cc1ccc(NC(=O)c2ccc(B(O)O)o2)nc1	2255467550	OTLUMJOTFGRYGU-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1ccc(B(O)O)o1	2255467600	PNFTVCDOWCSAOW-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1ccc(B(O)O)cn1	2255518660	NJADYCUZBOUEKL-PELKAZGASA-N	248.091	-0.463	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@H](C)C2)c(B(O)O)c1	2255557177	AKTSCQPZWJXRNK-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
Cc1cc(C(=O)N[C@]23CCC[C@@H]2C3)oc1B(O)O	2255565722	LBOSCGXQNATCAE-PELKAZGASA-N	249.075	-0.060	50	10	BBGE	
CC1CC(C)(NC(=O)c2ncncc2B(O)O)C1	2255735656	XQLUEZOTQGACNQ-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(C)ccc1B(O)O	2255735787	ALSNXFNXJLRVRE-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256016064	BYJLUXLKGSPEGY-SFYZADRCSA-N	249.075	-0.542	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1coc(B(O)O)c1	2258944687	WSQRIPPPSWQVQL-JTQLQIEISA-N	247.059	-0.413	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(C)c(B(O)O)c2)C1	2261385987	LHTACWMXIATCCO-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@H]21	2298371747	UIUBRULMSYXPKZ-CHHOWFRJSA-N	239.080	-0.779	50	10	BBGE	
CN(C[C@@]1(C)CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375996	AMRXNGUFMPMVCA-WCABBAIRSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]1CO2)[C@@H]1C[C@H]1B(O)O	2298376484	YJLDWBCHSKIPMW-CHHOWFRJSA-N	239.080	-0.467	50	10	BBGE	
CC1(C)C[C@@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463578	MVBGXAPNYNWRHE-GOZTUDAPSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2301340473	FFQPARSMAWBQKQ-MRVPVSSYSA-N	234.064	-0.945	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	2302211366	MYKXSDZZCGWBPN-BIIVOSGPSA-N	249.261	-0.279	50	10	BBGE	
O=C(c1cccc(O)n1)N1CC[C@H](B(O)O)C1	2303110822	DKHYZJCKQDMJBE-ZETCQYMHSA-N	236.036	-0.524	50	10	BBGE	
COC[C@](C)(CN1CC[C@](C)(B(O)O)C1)OC	2303136411	SVMQYJPUSDNOKS-QWRGUYRKSA-N	245.128	-0.023	50	10	BBGE	
C=CC[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2303970532	RPYWTQKYALHNSF-QCLAVDOMSA-N	239.080	-0.443	50	10	BBGE	
C=C1COCCN(C(=O)C2(B(O)O)CCC2)C1	2306890647	SQBJIMOZXRVOKT-UHFFFAOYSA-N	239.080	-0.202	50	10	BBGE	
CC1(C)[C@@H](N)CCN1c1cc(B(O)O)ccn1	2307327780	FNYGAAYPHAWHHR-VIFPVBQESA-N	235.096	-0.923	50	10	BBGE	
CC(C)(CO)CNc1ccc(B(O)O)cc1C#N	2317150108	AWUOIEPADIMVOB-UHFFFAOYSA-N	248.091	-0.332	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CC[C@H]1O	2317162531	SEKQNFQURLKEPM-QPUJVOFHSA-N	246.075	-0.579	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@H]2CO)cc1B(O)O	2317309723	VILCOCDPQCBZKC-ZJUUUORDSA-N	249.075	-0.781	50	10	BBGE	
C=CC1(Nc2ccc(C=O)c(B(O)O)c2)CNC1	2317309760	VVFLTDFKJLNVKR-UHFFFAOYSA-N	246.075	-0.881	50	10	BBGE	
CN[C@H]1CCCN(c2ccc(B(O)O)cn2)CC1	2317813082	XUQSTKKGFYACOX-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
NS(=O)(=O)CCNC(=O)CCCl	36745593	VAQHSWDTNKNWAC-UHFFFAOYSA-N	214.674	-0.980	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@@H](C)Cl	37226251	JNQQGLQBYKUTLR-UHNVWZDZSA-N	209.629	-0.736	50	10	BBGE	
NNC(=O)CCCC(=O)NCCCCCO	58841165	RKVOFAJWIFVESO-UHFFFAOYSA-N	231.296	-0.575	50	10	BBGE	
NNC(=O)CN1CCCC[C@@H]1CCO	58850190	FNOCFFNHAJCTQP-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
COCCN(C1CC1)[C@H](C)CC(=O)NN	82470018	BBWMRYSIMCCZLG-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CCN(C1CCNCC1)[C@@H](C)CC(=O)NN	82470782	MQMBVPUOYBVJEG-VIFPVBQESA-N	228.340	-0.171	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](N(C)C)C1	84420997	AZYBFILEFNAARM-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
O=C(Cl)[C@H]1C(=O)S[C@@H]2CC(=O)N21	100201382	MMTCCZKEGOVAHQ-DMTCNVIQSA-N	205.622	-0.048	50	10	BBGE	
COCCCN(CCOC)[C@H](C)CC(=O)NN	104101137	OWHLAIOLDBGCCQ-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@H]1CC(=O)O	149145430	VESIWGHKHVHYNN-SSDOTTSWSA-N	231.252	-0.652	50	10	BBGE	
CC(=O)C[C@H](NC(=O)CCl)C(=O)O	170313770	ULACSRQGXJFPTI-YFKPBYRVSA-N	207.613	-0.226	50	10	BBGE	
CCNC(/N=C\N)=C(/C#N)C(=O)OCC	210317478	YDMIODMASHAOEK-BQYQJAHWSA-N	210.237	-0.119	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)Cc1ccccc1B(O)O	211155244	FDQZGUYKFICONP-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CN1CCC[C@@H](O)C1)C(=O)NN	216482623	CPNWTEQOVOVFOC-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](Br)C(=O)N1C[C@H](O)[C@H](O)C1	235132914	UGGICGAXWJYHPA-PBXRRBTRSA-N	238.081	-0.666	50	10	BBGE	
NC(=S)NCC(=O)NCCCCl	244374611	YAVZFNIAINUGBK-UHFFFAOYSA-N	209.702	-0.435	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCN(C)C1)C(=O)NN	251088067	JONUGBYJGWGXIN-UWVGGRQHSA-N	228.340	-0.504	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)c1ccc[nH]1	309399924	HGICXBOVRALEBA-ZCFIWIBFSA-N	210.237	-0.487	50	10	BBGE	
CC(C)CCNNC(=O)[C@H]1COCCN1	309532075	WDPUOCQHNJLAIE-SECBINFHSA-N	215.297	-0.358	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](C)[C@](C)(CN)C1	310338959	CJNSNEPDILVOAR-FYLLDIAZSA-N	242.367	-0.082	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@](C)(CN)C1	380791574	FGJQBFFGPSUFQM-ATZCPNFKSA-N	228.340	-0.328	50	10	BBGE	
C[C@H](c1ccncc1)N(C)C(=O)C(=O)NN	383726627	LGFIUGUWSHCWLK-SSDOTTSWSA-N	222.248	-0.409	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC2CCC1CC2	389915208	KXIMQXZINIPDEV-KAVNDROISA-N	211.265	-0.329	50	10	BBGE	
O=CCCc1ccc(B(O)O)c(/C=C/C(=O)O)c1	396136453	YMNRMAYRYQTNKG-GQCTYLIASA-N	248.043	-0.404	50	10	BBGE	
N#Cc1ccc2cc(CO)sc2c1B(O)O	396219134	KBLUJAYHBANUHK-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCN(C)C(=O)Nc1ccnc(B(O)O)c1	405089857	VPVWPESFWNSGIO-UHFFFAOYSA-N	223.041	-0.755	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)/C=C\C1CC1	491914140	ZEUHBKJQPURQHY-WAYWQWQTSA-N	239.275	-0.375	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](OC)CC[C@H]1C	687214288	ZHPPZRIXPPKXLN-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)CCC(=O)NN	687462374	PIGCBDJJQJNFKW-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)n1cnc(C#N)n1	695046987	BVWAQWVIXDVYFW-SSDOTTSWSA-N	222.252	-0.273	50	10	BBGE	
Cn1nnnc1CN[C@@]1(CCl)CCOC1	697763880	PSZBJTOLLPBLMX-MRVPVSSYSA-N	231.687	-0.302	50	10	BBGE	
Cc1cc(C)n2ncc(C(=O)NNC(N)=O)c2n1	700878404	CONGXNIKJUOHDU-UHFFFAOYSA-N	248.246	-0.341	50	10	BBGE	
Cn1cc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)nn1	703435786	HNGINYSKTISFRV-YUMQZZPRSA-N	236.231	-0.769	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCN1c1ncccn1	704676998	ZSQGFLSMSGQVQZ-MRVPVSSYSA-N	221.264	-0.223	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C[C@H]1C	706114370	KASNZWKFNASLCT-XFWSIPNHSA-N	229.324	-0.154	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@@H]2C[C@@H]21	707083315	BIJMCPAZQLLACT-SKDRFNHKSA-N	247.103	-0.031	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1CCC(=O)NN	707560167	YMJXYXUROKBJPX-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1CN(C)CCN(CC(C)(C)C(=O)NN)C1	707564047	INEWGAQRYJESOU-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)N1CC[C@@]2(CCCS2(=O)=O)C1	709235997	FRGPVIXGVYBWTO-QMMMGPOBSA-N	233.293	-0.777	50	10	BBGE	
C[C@@H]1CCN(C[C@@H](C)C(=O)NN)CCO1	720469019	AJTRDPLEFNINLN-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
COc1cc(CN(C)[C@@H](C)C(=O)NN)sn1	722404923	WHJYUYZNQSZDEH-LURJTMIESA-N	244.320	-0.038	50	10	BBGE	
CN(N=C1CC(=O)N2CCC[C@@H]12)C(N)=O	799483584	ZLNFJJCCGXLUFZ-ZETCQYMHSA-N	210.237	-0.252	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCCO1	817216204	PDHRYEZWODDRPP-SFYZADRCSA-N	230.264	-0.670	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C(=O)C[C@@H](C)O1	829144882	WMANNLHLBFQVMW-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CC(C)CC(=O)NNC(=O)[C@@H]1COC(=O)N1	858285039	RUONDCQXHBTSNK-LURJTMIESA-N	229.236	-0.712	50	10	BBGE	
N#C[C@H](CCl)[C@H]1CC[C@H]2NNC(=O)N2N1	953054857	VHKSHXYCKWNNRY-XVMARJQXSA-N	229.671	-0.112	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)Cc2nc[nH]n2)o1	1137131270	XPNKRSYCZQTULM-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
O=S(=O)(CCl)N1CC(F)(CO)C1	1260929664	ADQKJZVIKVEYBQ-UHFFFAOYSA-N	217.649	-0.471	50	10	BBGE	
CC(=O)NNC(=O)C(C)(C)c1cnc[nH]1	1321003467	ITMRYQTXXPAJCK-UHFFFAOYSA-N	210.237	-0.145	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1cccnn1	1533766564	PBLJILFHIXQREI-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cccnn2)n[nH]1	1624382973	IHNHMBBQTRAKIF-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)c2cocn2)nn1	1648651535	BCALSXMLFFMLHQ-UHFFFAOYSA-N	248.202	-0.680	50	10	BBGE	
CCCCC(=O)NN(CC(=O)O)CC(=O)O	1858081659	XZZPTOXQMIRZIE-UHFFFAOYSA-N	232.236	-0.321	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@@H]1Br	1877372718	PUDINEIYHMKWHC-IMJSIDKUSA-N	208.059	-0.057	50	10	BBGE	
NCCSSCCNC(=O)C(=O)O	1882323034	JVEDXTFMPXFETM-UHFFFAOYSA-N	224.307	-0.473	50	10	BBGE	
O=C(N[C@@H]1CONC1=O)[C@@H]1C[C@@H]1Br	1883531449	RLTPLIOCDCQRTG-MROZADKFSA-N	249.064	-0.684	50	10	BBGE	
N[C@H](CO)C(=O)NCC1CC(Cl)C1	1883649994	ZENWGQRLBFGCFN-KPGICGJXSA-N	206.673	-0.560	50	10	BBGE	
CN(C)CCN[C@H]1CS(=O)(=O)C[C@H]1Cl	1885010046	OQNJLCQEOKPXDA-SFYZADRCSA-N	240.756	-0.458	50	10	BBGE	
CC[C@H](S[C@H]1CC[C@H]1N)C(=O)NN	1887477548	ARNGQMXCJXEOSB-VQVTYTSYSA-N	203.311	-0.022	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H]1CC[C@@H]1N	1887485691	KPKDUCNTXLLHFA-NKWVEPMBSA-N	217.294	-0.623	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1CC(=O)NN	1892801078	KTEGOZQXUWOXRT-SFYZADRCSA-N	201.270	-0.933	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@@H]2C[C@@H]2CO)[nH]1	1894168577	QSMWLALADFYZKU-PHDIDXHHSA-N	243.698	-0.720	50	10	BBGE	
CO[C@@H]1CC(OCCC(=O)NN)C[C@H]1OC	1894807262	SJOQGMACZGZHHJ-RKDXNWHRSA-N	232.280	-0.425	50	10	BBGE	
OB(O)c1cccc(COC[C@@H]2CCO2)c1	1901307350	OUCBRVWDLRBUPM-NSHDSACASA-N	222.049	-0.328	50	10	BBGE	
CN(NC(=O)[C@@H]1CCNC1)S(=O)(=O)C1CC1	1901341976	DKBZBRFUYQNDJX-SSDOTTSWSA-N	247.320	-0.949	50	10	BBGE	
OB(O)c1cc(F)ccc1OC[C@@H]1CCO1	1901368340	KTUCVVSQRDIVSR-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
O=C(CCC1CC1)Nc1ncccc1B(O)O	1913663095	IPRBQITWSLEYRI-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914017401	CXMUBDQLVYVKGE-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CC#N)C1	1915062130	AUQBPSMSHHAPHS-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC2(COC2)C1	1915567335	LARMMJBXNNLLOS-UHFFFAOYSA-N	235.234	-0.666	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CCOCC2)C1	1915589933	OMLDTSXNXKRUBA-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ccc(B(O)O)cc1	1924098331	MYWFBRAJPNVBRI-JTQLQIEISA-N	237.064	-0.270	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2COCC[C@H]21	1928027682	XFOJFPLOLAUPSL-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)COCCSc1ncccn1	1928182499	ZYXSYXODRJZDCT-UHFFFAOYSA-N	228.277	-0.425	50	10	BBGE	
CCCN(CC(F)(F)C(=O)NN)OC	1928675926	YOBOIDFWPCGLRX-UHFFFAOYSA-N	211.212	-0.115	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1CNC[C@@H](O)C1	1934304186	AYKSAFWOWCXFMO-RITPCOANSA-N	241.118	-0.123	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936082667	FSOQGJFGCPLAOC-OYNCUSHFSA-N	227.308	-0.542	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)[C@H]1CCCO1	1936355589	LIEUQSVYHLTRQU-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CC(C)(CCN1CC[C@H](O)[C@@H](F)C1)C(=O)NN	1941010874	ADBBLHYQACFZOC-IUCAKERBSA-N	247.314	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2COCC[C@@H]21	1941371947	FWRIWRSWZPSLFF-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](C2CC2)[C@@H](O)C1	1943089432	NFQOSIDSNLGVMU-IEBDPFPHSA-N	241.335	-0.152	50	10	BBGE	
CN1CC2(C1)CN(CCCCCC(=O)NN)C2	1946906202	JFDIRJXZWKZTBD-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
NC(=O)NNC(=O)C1(Br)CC1	1953219371	SLSANTNKJPLVSP-UHFFFAOYSA-N	222.042	-0.387	50	10	BBGE	
C[S@](=O)C1CN(C[C@@H](O)CCl)C1	1953700371	LRNUQPNQJOPSRI-QTTZVWFDSA-N	211.714	-0.351	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(O)(CO)C1	1954238494	HGWJYFXUTLPYFI-LURJTMIESA-N	207.657	-0.431	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCCS(N)(=O)=O	1955559306	PHPDWNBGEQMPOT-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
C[C@H](OC[C@@H]1CCCOC1)C(=O)NN	1956965897	ZXQVFJDEMBTAHD-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](CN(C1CC1)C1COC1)C(=O)NN	1959029765	HJWOVUNMYWIBQO-SSDOTTSWSA-N	213.281	-0.524	50	10	BBGE	
CC[C@H](O)CN(C)CCCCC(=O)NN	1959510418	BJMWSGPBJWCMNG-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
C[C@H](N=[S@](C)(=O)N(C)C)[C@@H](C)C(=O)NN	1960616213	CUGWKEHZDIHTFG-NVZATHNXSA-N	236.341	-0.425	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H]2C[C@H]21	1961508514	JZNUWFBMPBHIGG-RKDXNWHRSA-N	213.281	-0.380	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1nc(B(O)O)cs1	1961718338	NDASHTJFGFNCQP-BQBZGAKWSA-N	226.110	-0.085	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21)C(=O)NN	1962114277	IKCLBRJNYWGTAR-MBGOZMDMSA-N	209.293	-0.047	50	10	BBGE	
CCO[C@H]1CC[C@@H](C(=O)NNCCO)C1	1962378874	OBTNAMWSRQXKOU-BDAKNGLRSA-N	216.281	-0.195	50	10	BBGE	
Cc1cc(N(C)[C@H]2C[C@@H]2C)ncc1B(O)O	1981530565	OBGAMTWQJFWHDZ-WPRPVWTQSA-N	220.081	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H]2C1	1987898923	CPGUGJSJYBNECT-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(F)(CO)CC1	1995938118	SNFFCVFDQFHOKU-IUCAKERBSA-N	245.298	-0.591	50	10	BBGE	
CCN1CCN([C@H](C)[C@H](C)C(=O)NN)CC1=O	1996756657	VNRGXNKENVTRHI-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868418	OWOYYRNZALESFR-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ncc(B(O)O)cn1)C2	2004916329	KLDJGAIDIDZOTF-KWQFWETISA-N	233.080	-0.607	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)C(C)(C)C1	2004917431	WJMBVOMMJGMHOS-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)CC1(C(=O)NN)CC1	2006198935	NEWQVNODDMIDDH-OWUUHHOZSA-N	239.319	-0.419	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cccc(B(O)O)c2=O)O1	2008844636	QLWYJFVGAOHUGJ-DTWKUNHWSA-N	237.064	-0.904	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](F)C[C@@H](F)C1	2011406353	RNCIEWBMQMLBKV-HTQZYQBOSA-N	242.034	-0.352	50	10	BBGE	
CN(CC(=O)NN)Cc1cccc2ncnn12	2012352519	DQUHZUALTHYZKA-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CO)C12CC2	2016079255	GAOISDHHBBOSLW-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccccc1B(O)O	2022199761	JDWYPMFVWDPGEV-SECBINFHSA-N	231.060	-0.540	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]23CNC[C@H]2COC3)CC1	2042770699	PXXZDFHEZFOSLH-AAEUAGOBSA-N	247.298	-0.095	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1[C@H]2CCC[C@H]21	2048415327	UTVOFMMYZFINLG-DIYOJNKTSA-N	246.075	-0.254	50	10	BBGE	
C[C@H](CN1CCN(C)c2ncccc21)C(=O)NN	2051518496	KYZSCQNMVWJSSR-SECBINFHSA-N	249.318	-0.036	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCC[C@H]3C2)nc1	2052469158	MZMCYHAHZXGEPQ-AOOOYVTPSA-N	247.107	-0.217	50	10	BBGE	
CN1CCC(N(C)c2ccncc2B(O)O)CC1	2052499555	VRHVRYAJFACUCP-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]2CN(C)C)n1	2052551638	HZUWQHCBDYTTEM-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3C[C@@H]3C2)n1	2052623791	MVCAVOHQIGINLW-VHSXEESVSA-N	247.107	-0.381	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@H]1C[C@@H]1C1CC1	2058154725	GSGWVYQFBXOZDG-WDEREUQCSA-N	247.103	-0.036	50	10	BBGE	
CCOc1cc(OC)cc(B(O)O)c1C#N	2060202285	BGCQQCBCZMIMPO-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CCOc1ccccc1C(=O)NCC#CB(O)O	2077492147	JGDONQXJFLSPEZ-UHFFFAOYSA-N	247.059	-0.170	50	10	BBGE	
Cn1cnnc1COCc1ccccc1B(O)O	2080331143	AEOUIFRPLCVSSS-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
C[C@H](O)CN(C)Cc1cccc(B(O)O)c1	2211131733	BUYYXJQGZUQYNK-VIFPVBQESA-N	223.081	-0.821	50	10	BBGE	
OB(O)c1ccc(=NCCC2CCC2)[nH]c1	2212601229	KVSSKMUKGLBXKE-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC=CC[C@@H]1CO	2215777531	SZUVPDYGNNPINI-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@@H](O)C2)c1	2217177474	JMERBPZZKLUWSU-VHSXEESVSA-N	236.080	-0.523	50	10	BBGE	
CCC(N)(CC)COc1ccc(B(O)O)cn1	2217178692	ALQXTQYNDDEBOB-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCCO2)c1	2217179378	JXQCHCQNHLUADF-SNVBAGLBSA-N	236.080	-0.258	50	10	BBGE	
C[C@@]1(CN)CCCN1c1ccc(B(O)O)cn1	2217179392	KAYUCYFLPQSVBD-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
CCC[C@H](N)CCOc1ccc(B(O)O)cn1	2217192822	PYZYVMRYXMYJAA-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
CO[C@H]1C=C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217197713	PXYVDNKGVKCWPO-ZJUUUORDSA-N	234.064	-0.483	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCNCC2)c1	2217199744	OVVPNDXCFIORFA-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
CCC[C@@H](CCO)Nc1ccc(B(O)O)cn1	2217202049	UKHXTQXQMGOTOQ-JTQLQIEISA-N	238.096	-0.276	50	10	BBGE	
CCC[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217203456	VFVPCYOBPCOQPJ-DTWKUNHWSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)[C@@H]2C2CC2)nc1	2223643984	COVMAKIXQCJLCY-PWSUYJOCSA-N	248.091	-0.889	50	10	BBGE	
N[C@@H]1C[C@H](COc2cc(B(O)O)ccn2)[C@H]2C[C@@H]21	2223665046	BLZKELBSXXKUSQ-CZULRBLNSA-N	248.091	-0.877	50	10	BBGE	
CC[C@@]1(Nc2ccc(B(O)O)cn2)CCCNC1	2223669227	HNZNNEVYJXOZSR-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1CNc1ncccc1B(O)O	2223672123	DFTAESWYLJHESV-WPRPVWTQSA-N	249.123	-0.453	50	10	BBGE	
O=S(=O)(N1CCOC1)N1CC(Cl)C1	2241338377	LIYGHZMDHJMLED-UHFFFAOYSA-N	226.685	-0.556	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@H](O)[C@H](O)CC1	2241586957	GOGDQSPQAVQLAM-HLTSFMKQSA-N	218.684	-0.065	50	10	BBGE	
CCn1c(=O)cc(O)n(C(=O)OCCl)c1=O	2243082319	LTXOSYWSBLYTLS-UHFFFAOYSA-N	248.622	-0.084	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)C1(B(O)O)CC1	2243363115	BFTNTCQKWWUVHC-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363664	KGZFNQYMRGAHJY-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
CCCONC(=O)c1scc(C)c1B(O)O	2243378411	SKNJCDUGSLWGFR-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392279	SPAUDAWGUAGCBL-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
CSCCCNC(=O)c1ccoc1B(O)O	2243405083	ZFFQPGNOKHQXQX-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
O=C(N[C@@H]1COCC1(F)F)C1(B(O)O)CC1	2243409478	ISQZDDQLXPSZMT-RXMQYKEDSA-N	234.995	-0.856	50	10	BBGE	
CC1(O)CCN(C(=O)C2(B(O)O)CC2)CC1	2243409527	JRSDVVFTUUXQKA-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
COCCCCN(C)C(=O)C1(B(O)O)CC1	2243410658	FTBMBPPCLPGLES-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
CC[C@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420676	XFTILXTVVYHPGB-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)NCCC/C=C/C)B(O)O	2243432786	DJIFZPSMMZQHHJ-ONEGZZNKSA-N	247.125	-0.170	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C(C)(C)C	2244210823	GVRAXWHNMCJTAV-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C[C@@H](C)O)C1CCC1	2244881014	BUHAVZDQKXIVOD-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](O)CN(C(=O)C#CB(O)O)C(C)(C)C	2244893669	GBECVYZDEDKARZ-QMMMGPOBSA-N	227.069	-0.990	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)C[C@@H](C)C1(F)F	2247737372	FOSLDBOLIYVUCT-OCAPTIKFSA-N	245.034	-0.249	50	10	BBGE	
COCCNC(=O)c1cccc(B(O)O)c1C	2247760009	ADHIXWHOSVXHCA-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@@H]1O	2247791818	OYXGRZVBWMLLMS-CIQUZCHMSA-N	241.096	-0.485	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247804319	GHTNPODTDLUTGJ-SVSWQMSJSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](O)CC2(CC2)C1	2247810187	VMLLHMBETSBSJL-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](CNC1)C2)C1(B(O)O)CC1	2247857789	YLVASVPKJJMKCC-PSASIEDQSA-N	238.096	-0.748	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H](C)O1	2247893449	RYJSHSPEMMFYOL-DKEVHCRPSA-N	241.096	-0.125	50	10	BBGE	
COC(OC)[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247894428	GSNJMPLFFDRLPI-RNJXMRFFSA-N	245.084	-0.685	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898323	CIUIINGDDPKWEV-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
C=C(C)COCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247898745	HKOKLJGQTOIWQP-MGCOHNPYSA-N	241.096	-0.052	50	10	BBGE	
CC[C@]1(N)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899580	OKHCKMNSRFFJIQ-YWVKMMECSA-N	240.112	-0.421	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248574347	QJLMNGUIWPNWBT-OCAPTIKFSA-N	243.068	-0.439	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C(=O)O)C1CC(B(O)O)C1	2248586554	CQZVBTKMSLCNLD-CRYROECRSA-N	241.052	-0.781	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)CC12CC2	2250303862	GBRZQHWQNAUZCZ-UHFFFAOYSA-N	239.275	-0.649	50	10	BBGE	
C=CC[C@@]1(CO)CCCN(C(=O)C(=O)NN)C1	2250396663	FKGZEIQRBLMAIX-LLVKDONJSA-N	241.291	-0.847	50	10	BBGE	
CCCNC[C@H](C)Oc1ncccc1B(O)O	2250572698	AUMPCDUAWHAYEG-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
CN(O)C(=O)c1ccc2cc(B(O)O)ccc2c1	2255458633	UPHDMOWXFFUCRQ-UHFFFAOYSA-N	245.043	-0.019	50	10	BBGE	
Cc1cccc(C(=O)N(C)C2COC2)c1B(O)O	2255509363	KFNFZRPOVCLIIR-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@H]2CC[C@H]1C2	2255518485	LEVASJOMDXGKLJ-WPRPVWTQSA-N	246.075	-0.614	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2CCC[C@@H]21	2255521530	XMCTUNNFLZYTAH-SCZZXKLOSA-N	246.075	-0.614	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)c2cccc(B(O)O)c2)C1	2255522733	NSXCGZYOIYSDEA-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
Cc1cnc(C(=O)Nc2cnoc2)c(B(O)O)c1	2255556159	LNMUEVFUIQIFKY-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)C1CC(B(O)O)C1	2255579472	RUMIZDFBWFZZEE-XCRFTISSSA-N	247.103	-0.134	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1cc(B(O)O)c[nH]1	2255669683	RZKKZIOUTCMBNN-IUCAKERBSA-N	248.091	-0.578	50	10	BBGE	
O=C(N[C@@H]1CCCn2ccnc21)[C@@H]1C[C@@H]1B(O)O	2255765812	VEJXAFRHIOHIEJ-HRDYMLBCSA-N	249.079	-0.303	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC[C@H]2C[C@H]21	2257490412	BPEJRBXMIAHHCZ-WCBMZHEXSA-N	246.075	-0.696	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CO[C@H]2C3)cc1B(O)O	2258401459	KFDHTWXEIOCWSH-IEBDPFPHSA-N	248.091	-0.341	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2298209108	JQCAORLDKPURHF-GUDRVLHUSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298369872	IBTMRZNKGHFRSW-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
N[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370494	AFPVXZXUFSVISF-DOLQZWNJSA-N	240.112	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@@H](F)C1	2300052172	SLPWPWIWGIOZRI-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COC2(CCC2)CO1	2300878956	DPDKLHLBXKSARN-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1N(C)c1ncncc1B(O)O	2301232812	ICRBMRULPAPYNT-HTQZYQBOSA-N	235.096	-0.363	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2(CN(C)C2)C1	2302049803	KPYYOAPSQSTMSJ-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CCCCNC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	2303098150	DJFIKDNBAKYPSH-ZJUUUORDSA-N	242.128	-0.160	50	10	BBGE	
CN1C[C@@H](CN2CC[C@@](C)(B(O)O)C2)OC1=O	2303131338	ATECKCCZNFQGAU-WCBMZHEXSA-N	242.084	-0.624	50	10	BBGE	
OB(O)c1csc(Cn2cc(C3CC3)cn2)n1	2303334179	IBIZKURGHVBSCG-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
NNC(=O)CCN1C(=O)c2ccncc2C1=O	2308058056	UHIPJIARAHPMKX-UHFFFAOYSA-N	234.215	-0.942	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(N)=O)nc1	70044679	HJQUKJYQSJFVJY-UHFFFAOYSA-N	205.177	-0.734	50	10	BBGE	
C[C@H](C(=O)NN)n1cc(Cl)c([N+](=O)[O-])n1	70534693	KADIAGRRSPXBAH-GSVOUGTGSA-N	233.615	-0.004	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H]1CO)C(=O)NN	82470394	LPVGQFUUJYSWNZ-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
COCCN(CCOC)CC(C)(C)C(=O)NN	93728066	UEJVHYIKNYZTAI-UHFFFAOYSA-N	247.339	-0.403	50	10	BBGE	
CNC(=O)NNC(=O)Cn1ncc2ccccc21	107229429	GJAUSDMVNKDTGR-UHFFFAOYSA-N	247.258	-0.004	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C=C[C@@H](C(=O)O)C1	149126474	PCKNGQSZTCUCNC-RQJHMYQMSA-N	213.237	-0.209	50	10	BBGE	
C[C@@H](CCNC(=O)NN(C)C)C(=O)O	149148534	WBFRHYCHLVTUBR-LURJTMIESA-N	203.242	-0.127	50	10	BBGE	
CSCC[C@H](C)N(C)C(=O)C(=O)NN	157096982	CUPOPWXBSQBHBE-LURJTMIESA-N	219.310	-0.424	50	10	BBGE	
Cc1nc(S(=O)(=O)N=C=O)cn1C	157720145	GPKUIQONWIVDCA-UHFFFAOYSA-N	201.207	-0.247	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O	167881078	RXZFFRMOWRGHPQ-CDUCUWFYSA-N	245.666	-0.576	50	10	BBGE	
C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)B(O)O	210175618	XFBLCWMXGZNGPY-PSASIEDQSA-N	236.080	-0.927	50	10	BBGE	
NC(=O)COCCNC(=O)CCCCl	230042711	SCXLAYFSNSRJAR-UHFFFAOYSA-N	222.672	-0.377	50	10	BBGE	
COC[C@@H](S[C@H](C)CO)C(=O)NN	232421844	QIOGIMZQAGZJGC-PHDIDXHHSA-N	208.283	-0.895	50	10	BBGE	
O=Cc1ccc(B(O)O)c(C(F)(F)F)n1	238621880	PVBMCAIFYRDKMW-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
CN1CCC[C@@H](CN(C)C(=O)NN)C1	258805152	RUMWAODDZHNRBM-MRVPVSSYSA-N	200.286	-0.157	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOCCO)C(C)C	305999628	GMNXGXRZCGGFQN-JTQLQIEISA-N	247.339	-0.526	50	10	BBGE	
OB(O)c1sc2cc(O)ccc2c1O	306919810	LANQQLAXVVXDQC-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@H](Cl)c1cnnn1C[C@@H](O)CO	308147335	OYNQUFCBKBTZEA-NTSWFWBYSA-N	205.645	-0.069	50	10	BBGE	
OC[C@@]1(O)CCN(c2nnc(CCCl)o2)C1	313650261	ARFVNZDTZZGSEB-SECBINFHSA-N	247.682	-0.216	50	10	BBGE	
Cc1nc(N2CCCCC2)ncc1B(O)O	393773750	VVNFVPFLBNNIIQ-UHFFFAOYSA-N	221.069	-0.545	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(B(O)O)ccc1C=O	396063659	YRKDACYFZQSOTQ-LURJTMIESA-N	240.451	-0.011	50	10	BBGE	
N#Cc1sc2ccc(CO)cc2c1B(O)O	396216310	GVALLVCQNFDVKV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(C=O)cc2cc(B(O)O)sc12	396233307	BLANRZILORCKEF-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@@H]1CN([C@H](CC)C(=O)NN)C[C@@H]1O	399867900	AVGCHIHYJCIACL-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
COCCCC(=O)Nc1cccc(B(O)O)c1	404953976	VBNMBUNEKNVZKK-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	405003420	PCXJZKZCLDVVFT-SFYZADRCSA-N	219.049	-0.039	50	10	BBGE	
CSCC(=O)Nc1cc(C)cc(B(O)O)c1	405014146	ZUMJVDQPHMAXOW-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
NNC(=O)NC[C@H]1CCCCS1(=O)=O	606285622	JFHJRWGZAHAGRH-ZCFIWIBFSA-N	221.282	-0.873	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258308	KWBRNZBDKRMKRI-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1nnc(O)n1C	692239284	WWCOUZISQBDPDR-SCSAIBSYSA-N	218.644	-0.236	50	10	BBGE	
CNC(=O)C1CN(C(=O)OCCl)C1	692871343	JQVHEGYOVCEAFN-UHFFFAOYSA-N	206.629	-0.003	50	10	BBGE	
COC[C@@H]1CN(CCCC(=O)NN)CCO1	706715502	JQSQDAUIVXAHOA-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C(CCl)N1CCC[C@@H](CO)[C@@H]1CO	709858974	HLIZYANFCMZLQH-YUMQZZPRSA-N	221.684	-0.183	50	10	BBGE	
CC(=O)NNC(=O)CSCCCCN	723647455	PYIIFLYPQMXJID-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
NC(=O)[C@H]1CCN1c1nnc(CCCl)o1	757151980	YBZFHLLIDYZICC-RXMQYKEDSA-N	230.655	-0.085	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CCOC1CNC1	831944875	KRTHACKTDSKIGQ-UHFFFAOYSA-N	244.295	-0.943	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1ccns1	844589581	IDOMJJKMYQNOAB-UHFFFAOYSA-N	242.260	-0.051	50	10	BBGE	
CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)C#N	852644757	UUCSUQPHPPIGLQ-MRVPVSSYSA-N	238.291	-0.222	50	10	BBGE	
Cn1c(C(=O)NNc2nc[nH]n2)cnc1Cl	1161431844	QSSUMPTTWOWOEK-UHFFFAOYSA-N	241.642	-0.052	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1CCO1	1253550921	MVXAMPQGJHNVJY-ZCFIWIBFSA-N	213.686	-0.067	50	10	BBGE	
COc1c(C(=O)NNC(C)=O)cnn1C	1290391905	MTDNSQWVKVJFQH-UHFFFAOYSA-N	212.209	-0.790	50	10	BBGE	
O=C(CCl)NC[C@H](O)[C@@H]1CCCO1	1351743643	YKBCGINFQLLIOO-BQBZGAKWSA-N	207.657	-0.119	50	10	BBGE	
CCN(CCO)NC(=O)CCN1CC[C@@H](F)C1	1452326656	GHBQVRMCRBORBA-SNVBAGLBSA-N	247.314	-0.234	50	10	BBGE	
CC(=O)NNC(=O)/C=C\[C@H]1COC(C)(C)O1	1540576643	XGVIRRJBLORVHK-LGYSABEFSA-N	228.248	-0.139	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCCC(N)=O	1543992038	FMZAVZMFXCYCLP-FPLPWBNLSA-N	225.248	-0.188	50	10	BBGE	
NC(=O)NCCC(=O)NNc1ccc(F)cn1	1558220172	GIGJOEWBECZVQT-UHFFFAOYSA-N	241.226	-0.278	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NN=c1cc[nH]cc1	1567459193	ZYSLJQHRUJVEJC-GKQMSVHHSA-N	207.233	-0.116	50	10	BBGE	
CNC(=O)Nc1ncccc1OCC(=O)NN	1858787556	LHBKRYPGANKFBV-UHFFFAOYSA-N	239.235	-0.798	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)C[C@H]1CN	1882311862	OBUCDNSFZMDYQP-GJMOJQLCSA-N	203.673	-0.489	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1883645321	NPQHBQNCPCVZDR-WDCZJNDASA-N	206.629	-0.858	50	10	BBGE	
CN1CC[C@H]1COC(F)(F)C(=O)NN	1886371508	YMGJAVHUALASFL-YFKPBYRVSA-N	209.196	-0.710	50	10	BBGE	
NC[C@]1(OC(=O)F)CCCS(=O)(=O)C1	1891560628	VXZIUCFOHSKFQR-SSDOTTSWSA-N	225.241	-0.001	50	10	BBGE	
COC1(C(F)F)CC(NC(=O)NN)C1	1891874756	OOCYYLJEVSALCZ-UHFFFAOYSA-N	209.196	-0.028	50	10	BBGE	
O=C(O)COCCNC(=O)[C@H]1C[C@@H]1Cl	1893475389	SSUXHKMQYBYECX-WDSKDSINSA-N	221.640	-0.169	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	1894287677	LHMRMFSNUQSFQM-DFTQBPQZSA-N	223.276	-0.378	50	10	BBGE	
C=C(CN(CC)C[C@@H](C)OC)B(O)O	1895212109	NIBLDHQYTLCXPI-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCO[C@@H]1C)C(=O)NN	1895570053	ZSBCQSZXJKFZBZ-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](N)C1	1901378093	WTWYUWBAYQZGRW-OCAPTIKFSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H]1CN(Cc2nc(B(O)O)cs2)C[C@H]1F	1902641206	LKVFGSXNBPCTFJ-RNFRBKRXSA-N	244.100	-0.387	50	10	BBGE	
Cc1scc(C(=O)NCC2CC2)c1B(O)O	1902860441	YEBOJIZYLDQAGF-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
Cc1cccc(NC(=O)N(C)C)c1B(O)O	1905160062	IVLIRJPXKMBJNL-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2C[C@H](C[C@@H]2O)C1	1906156826	MGVCQOLJUGMBHW-KJPMQGKISA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC(CF)C2)O1	1909808182	LCSJSTHCRCUWKL-UWVGGRQHSA-N	245.298	-0.185	50	10	BBGE	
COCC1CN([C@H](C(=O)NN)C(C)C)C1	1916280755	BZQWQJWWDBSXRD-VIFPVBQESA-N	215.297	-0.421	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ncc(B(O)O)s1	1924098536	NNEKCVQJSDLDSA-YFKPBYRVSA-N	244.081	-0.814	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CC[C@@H]21	1924385555	MJNLEMSGIWRHCL-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1C1CCCC1	1928226595	MNILTOFGJGZTAA-MRVPVSSYSA-N	211.265	-0.233	50	10	BBGE	
O=C(Cc1ccccc1F)NNCCO	1929836496	KLASXUKPBQYEMW-UHFFFAOYSA-N	212.224	-0.019	50	10	BBGE	
CS(=O)(=O)NC[C@@H]1COC[C@H]1Cl	1933389271	MDCJNBFRZMDBCP-PHDIDXHHSA-N	213.686	-0.211	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCS1(=O)=O	1936087066	YDNVKNLBVUIOPW-JGVFFNPUSA-N	247.320	-0.962	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1936235514	IVDMVYIJMHJHPI-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
CN(C(=O)Cn1cnnn1)[C@@H]1COC[C@@H]1Cl	1937159798	MMXWJILJKJHFNN-NKWVEPMBSA-N	245.670	-0.862	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)[C@H](C2CC2)C1	1937478315	XJVPXDRXFITILI-UWVGGRQHSA-N	227.308	-0.541	50	10	BBGE	
CCC[C@@]1(O)CCN([C@@H](C)CC(=O)NN)C1	1937988641	XRRLMIUVJMGBCG-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940645183	PGGRDGGCMCTKDN-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1CC1(C(=O)NN)CC1	1945882744	MLSUSKUGSJUYSR-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1C(F)(F)C2	1950058241	MHEBWBPXQOLYTP-PRJMDXOYSA-N	249.261	-0.279	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@]12CC[C@@H]1C2	1951285161	SJOKHZQWIQCRIC-HQJQHLMTSA-N	232.048	-0.500	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@@H](O)C[C@H]1O	1954819841	XYIYFUUBRRYMTE-DBRKOABJSA-N	207.657	-0.386	50	10	BBGE	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NN	1956772291	KZTBSBPDIBFZKJ-NTSWFWBYSA-N	221.282	-0.923	50	10	BBGE	
CCCS(=O)(=O)C[C@H](C)NC(=O)NN	1956778173	NEIIAVPUNBMILU-LURJTMIESA-N	223.298	-0.627	50	10	BBGE	
C[C@@H](CN1CC[C@@H]1C(F)F)C(=O)NN	1956866458	STXJNXQLZKZQHB-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)NN	1961261256	QGAIRSVYMBVHSX-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H](OCCOCC(=O)NN)CO1	1961629695	SGLAZBYQHHQCOR-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
CSC1CN(c2ncccc2B(O)O)C1	1961694432	NVTMDBMVSNYITH-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
Cc1ncc(B(O)O)c(OC(C)(C)C)n1	1961696098	MQMCLPXPZXKDOS-UHFFFAOYSA-N	210.042	-0.358	50	10	BBGE	
N#CC1(O)CCN([C@@H]2C[C@@H](N)C[C@@H]2O)CC1	1979089493	MWJKXOMQFRHWGF-BBBLOLIVSA-N	225.292	-0.813	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@H]1F	1981421790	FOAZPHWRORNBLJ-VXNVDRBHSA-N	224.044	-0.444	50	10	BBGE	
CSC1CN(c2ncc(B(O)O)cc2C)C1	1981472894	UVBOUUKRYLSMDP-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)c1ccnn1C	1981560519	PYBWYXPGBRPMAA-JGVFFNPUSA-N	225.296	-0.129	50	10	BBGE	
CO[C@@H](C)CCN(C)CC(F)(F)C(=O)NN	1984686398	IIFIAUGRLQADIJ-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CCC(C)(C)C(=O)NN	1985572255	QNOWSXVOAXRXNL-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CN1CC2(CCCN2C)C1)C(=O)NN	1987147427	KBHDNXWOWDTYMG-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H]1C1(O)CC1	1987341509	SWBGWCOGIVTQFW-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
OB(O)c1cncnc1SCCOC1CC1	1988937502	FLRXPEIOYFSZMX-UHFFFAOYSA-N	240.093	-0.573	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OC[C@@H]1C	1990775566	XFNABPOKPKOFCD-JGVFFNPUSA-N	229.280	-0.737	50	10	BBGE	
C[C@H]1CCO[C@H]1CC(=O)NCC=CB(O)O	1991333651	CQJREHHAJYRMCD-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
Cn1nnc(CN)c1C(=O)NC[C@H]1C[C@H]1Cl	1991436565	ADNZRTWISDNBSS-PHDIDXHHSA-N	243.698	-0.369	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)[C@@]1(CN)CCOC1	1991704289	RCJREYJLEUWRGO-VMZHVLLKSA-N	246.694	-0.116	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@@]2(CO)C1)C(=O)NN	1992489968	QICANLPMPREZDW-KKZNHRDASA-N	227.308	-0.683	50	10	BBGE	
C[C@H](CO)SC[C@]12C[C@](C(=O)NN)(CO1)C2	1993883389	ICWJZHYUNUOIDJ-SZEHBUNVSA-N	246.332	-0.361	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@@H](C)[C@H]2C1	1995084273	NZPCIXWEWVIWSM-FKTZTGRPSA-N	225.292	-0.259	50	10	BBGE	
CCOC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1996018379	MGKKZOFTUFNSTK-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
CC(C)OCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2001338050	KCNFSWIBXBHNJX-QWRGUYRKSA-N	241.335	-0.031	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@H](C)CCC(=O)NN)C1	2002123097	WKNGUEVPZVRTCG-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
N#CCCN(CCC#N)CCOCC(=O)NN	2003736744	SAJGUSVTFBDMDG-UHFFFAOYSA-N	239.279	-0.878	50	10	BBGE	
C=C(Cn1nc(CC)c(B(O)O)c1CC)OC	2004219677	QAFHCKSJNFAPKA-UHFFFAOYSA-N	238.096	-0.152	50	10	BBGE	
OB(O)c1ccc(N2CC(C3CCC3)C2)nc1	2004911476	HQDNORNSPXELKO-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
Cc1nc(OC2CC(F)(F)C2)ncc1B(O)O	2004932974	ALVQWBDVQHLXCC-UHFFFAOYSA-N	244.006	-0.359	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006199437	SKDGOFUNAVYOEV-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CCc1ncncc1CN(C)[C@@H](C)C(=O)NN	2009050938	SJGAERCZWYIEFV-QMMMGPOBSA-N	237.307	-0.151	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)CC1(O)CCC1	2010572077	KDUXJLVDCOWUAF-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(C1)C[C@@H](O)C2	2011293625	QPICLGHANAZEBI-BFLSOPEQSA-N	239.319	-0.541	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCc2nccn21	2013310160	WWYJYFQOMGUJMX-VIFPVBQESA-N	237.307	-0.318	50	10	BBGE	
COC[C@H](C)OC[C@H]1CCC[C@H](C(=O)NN)O1	2018242349	GYSAWQJANJDOIP-IVZWLZJFSA-N	246.307	-0.035	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@H](COC)C(=O)NN)C1	2018856158	ODZKDEMWAROYHR-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)[C@H](C)CO1	2019210933	OQHJALPADFJNEU-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
CN1CC[C@@H](OCc2cccc(B(O)O)c2)C1	2021067769	JBETUGRLRCIRIS-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
OB(O)c1ccccc1CN1[C@H]2COC[C@H]1C2	2021407525	LLRSXHVLZAIYPM-GHMZBOCLSA-N	233.076	-0.661	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@H]21	2022200558	VLCMEGBCVTXPNY-LDYMZIIASA-N	231.060	-0.399	50	10	BBGE	
CON(CC12CC(C(=O)NN)(CO1)C2)C(C)C	2023852534	GSXWOVAZBQBNRX-UHFFFAOYSA-N	243.307	-0.203	50	10	BBGE	
CN(Cc1cn(C)cn1)c1ccncc1B(O)O	2052469802	VWIYPHPNLWGPPN-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
Cc1nc(N(C)C[C@]2(C)C[C@@H]2C)ncc1B(O)O	2052552207	PIHMWDUTDOOIDU-UFBFGSQYSA-N	249.123	-0.053	50	10	BBGE	
COc1cc([N+](=O)[O-])c(B(O)O)cc1C	2060380362	CZTQMZJEYNUFDL-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2c1ccc(B(O)O)cn1	2066589765	BZJSIKLMBVTULQ-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H](OCC)[C@H]2C1)B(O)O	2210599827	AKLOQMVUXFCQEL-DCAQKATOSA-N	225.097	-0.089	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)CSC1=O	2211839003	OLVNYTPFRXKFSF-WDSKDSINSA-N	243.288	-0.302	50	10	BBGE	
CC(C)OCCNc1ncccc1B(O)O	2212600669	FCZNUUCZTUFMRJ-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
C[C@H](O)C1(Nc2ccc(B(O)O)cn2)CC1	2212602085	YJUJIWXPZYIORD-ZETCQYMHSA-N	222.053	-0.913	50	10	BBGE	
OB(O)c1cccnc1NC1[C@@H]2CCC[C@@H]12	2212604564	QMPPEDIOEJHLCU-HTQZYQBOSA-N	218.065	-0.028	50	10	BBGE	
CC=CCCCn1cc(B(O)O)cnc1=O	2212715190	INDKXOQTTBCDGC-UHFFFAOYSA-N	222.053	-0.721	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COCC[C@H]32)CCC1	2216528777	UFSVGRZMOBRYDQ-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC[C@H]2F)c1F	2217182584	FLHFIXGNWMBZOT-RNFRBKRXSA-N	244.006	-0.951	50	10	BBGE	
CCC1(F)CN(c2nccc(B(O)O)c2F)C1	2217182593	BMOUVPXKOXPMIA-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
Cc1cnc(N(C)C2(C)COC2)cc1B(O)O	2217183137	GCZRWYMDQVAMBO-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
C[C@H](CCCN)Oc1nccc(B(O)O)c1F	2217185714	AMSOUPDHVAYVNU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CC[C@H](N)[C@H](CC)Oc1cc(B(O)O)ccn1	2217193667	OHVONGJGRDKJFH-UWVGGRQHSA-N	238.096	-0.344	50	10	BBGE	
NC[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217199301	LJUVKWVCUDQRMY-RKDXNWHRSA-N	235.096	-0.699	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1c1ccc(B(O)O)cn1	2217200676	VGYSYBDDXKQLHN-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@]1(CCNc2cc(B(O)O)ccn2)CCN1	2217202483	XHZDQVSWSNWJFO-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
CN[C@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220067902	WGKUDOKYBHNDAR-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCCNC1	2223626247	HDDJJLKEICRPBY-LBPRGKRZSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CNCC3(CC3)C2)nc1	2223628574	QTJARSVQLFSPDS-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@@H]3CC[C@@H]32)c1	2223635564	YPBUDWOILDCEOV-VWYCJHECSA-N	248.091	-0.889	50	10	BBGE	
Cc1nc([C@@H](C)Nc2ccc(B(O)O)cn2)n[nH]1	2223640811	YPROXYYGEKZCNZ-ZCFIWIBFSA-N	247.067	-0.639	50	10	BBGE	
Cn1cc(Nc2cc(B(O)O)ccn2)ccc1=O	2223640871	ZKSRZCRLOJRSQK-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]2C2(O)CC2)nc1	2223643971	CMRRLWKKJJOKMA-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2CC[C@H]1N2	2223655423	ZZANUQJJZNAKRW-FBIMIBRVSA-N	248.091	-0.577	50	10	BBGE	
Cc1cnc(C)c(Nc2ncc(B(O)O)cn2)c1	2223672466	FYGWHBCFNIRVAX-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCN1C	2223675437	WPXNIXPPEGHKRZ-ONGXEEELSA-N	249.123	-0.344	50	10	BBGE	
CSC[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2241495721	LVYFRJUXPNVZGU-LYFYHCNISA-N	217.099	-0.283	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C(F)(F)F	2241554789	HIWFKCNJZRXBIZ-YFKPBYRVSA-N	222.959	-0.234	50	10	BBGE	
O=C(NCC#CB(O)O)OCc1ccccc1	2241554812	HVXPJDYEBCPSCV-UHFFFAOYSA-N	233.032	-0.072	50	10	BBGE	
OB(O)c1cc(N2CCC2)ncc1Cl	2242392326	UPZKZBOIBCFKSK-UHFFFAOYSA-N	212.445	-0.375	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1occc1B(O)O	2243358850	LJJPUYPFCDURBP-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CC2)CN1	2243364435	XCUDURNRLURGOE-SSDOTTSWSA-N	226.085	-0.750	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)sc2C)C1	2243377785	HAFXRWZGJGYLEB-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
O=C(NCC1(F)CC1)c1sncc1B(O)O	2243378492	UMOIHFVOPMDYFP-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
O=C(NCc1csnn1)[C@H]1C[C@@H](B(O)O)C1	2243381537	GXHMKFHYFOKQSZ-OLQVQODUSA-N	241.081	-0.593	50	10	BBGE	
CC(C)(CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383411	XLVKQOYTUMNLJW-OCAPTIKFSA-N	229.085	-0.626	50	10	BBGE	
O=C(N[C@@H]1CCSC1)c1occc1B(O)O	2243411232	QGNYHGNXFBLGNT-ZCFIWIBFSA-N	241.077	-0.805	50	10	BBGE	
O=C(N1CCCC[C@@H]1CO)C1(B(O)O)CC1	2243411464	UKOAUHMLZLDQIJ-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
C=CCCCOc1ncc(B(O)O)c(C)n1	2243951604	ZQUJZXKGHFDWGP-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]2C1	2244214857	YCMPKOQVFLMYPM-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
CC1=CCCN(C(=O)c2coc(B(O)O)c2)C1	2247721784	HXFDJIDGBRIVPF-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CCC1)C(=O)C#CB(O)O	2247747861	UHNHJFCINDJCHZ-WDEREUQCSA-N	235.092	-0.104	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1cc(B(O)O)c[nH]1	2247748114	XXAXYLVKFACLQX-RNFRBKRXSA-N	240.043	-0.970	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247756015	KOMQCPCISPQPNL-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785254	IEQRDLKKZUGFTB-OCAPTIKFSA-N	237.068	-0.413	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)C(C)(C)CO	2247796516	AIWXTYKXNHMHMW-UHFFFAOYSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247798922	YIHPOFRGKAYBKY-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CO1	2247800365	OEPOKVNUYNDAKR-XHHQTKHESA-N	241.096	-0.125	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(N)=O	2247809676	QLPLVRFKWMFZIS-FXQIFTODSA-N	242.084	-0.990	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2247810054	UFXYQCROCGMYDJ-OPRDCNLKSA-N	243.112	-0.021	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@H]1CN	2247810217	VRFVOZASWJOWBD-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ccc(B(O)O)o1	2247847767	BILMOIWBLAJAJW-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
N#CC1(NC(=O)c2ccc(B(O)O)o2)CCC1	2247850383	NUJGNPGTFOXTFE-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2ccc(B(O)O)o2)C1(F)F	2247850867	AKTYQGRNHILEOX-FFWSUHOLSA-N	244.990	-0.657	50	10	BBGE	
C[C@H]1COCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247874859	QFIFURMBMYLUPH-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@@H]1N	2247877195	DDIRASVUMCSZAI-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
O=C(N1C[C@@H]2CNC[C@H]2C1)C1(B(O)O)CCC1	2247879735	VKCRQMMMVNKDPN-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247888409	ZEEHYMWDHXHIRG-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](CC(C)(C)O)NC(=O)C1CC(B(O)O)C1	2247892473	BHFRKNOIFWCKNT-UEJVZZJDSA-N	243.112	-0.095	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2247900222	VBINPZMAUSNSDP-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
C[C@H]1CC[C@@H](COc2ncc(B(O)O)cn2)C1	2248000658	JUHFEWKPAXXTCC-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
CC(C)(C=CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248577601	KITLFBGQIUFHKN-RNFRBKRXSA-N	241.052	-0.615	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248584763	AZWVMDSDKNGVJG-NYNCVSEMSA-N	241.052	-0.685	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248585366	KEGDBFBGTWJRIY-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
CC12COC(C(=O)NCCC#CB(O)O)(C1)C2	2250006590	NMGWIFMNJKSORE-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CCO[C@@]1(CN2CC(=O)OC(=O)C2)CCOC1	2250014927	UDSXTLNTDIPZQM-LLVKDONJSA-N	243.259	-0.433	50	10	BBGE	
CN(CC1CC2(CC(F)C2)C1)C(=O)C(=O)NN	2250447347	JLJWBBQZZJRVPK-UHFFFAOYSA-N	243.282	-0.037	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ccncc1B(O)O	2255455824	GAMFQTCETHVLFE-CMPLNLGQSA-N	248.091	-0.320	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255462749	ZHUZPOBYCQRHDU-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
C=CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2255477370	YPUVNBIPRXZQAH-SNVBAGLBSA-N	248.091	-0.125	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255485469	RIQMGNXLZJPKFR-MRVPVSSYSA-N	248.091	-0.236	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@H]3CC[C@H]23)n1	2255486442	AMSVWDTZQJVTLE-YUMQZZPRSA-N	246.075	-0.792	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ncccc1B(O)O	2255519155	UAXWCAWJCRFVQS-GFCCVEGCSA-N	248.091	-0.224	50	10	BBGE	
CC=C=CCCNC(=O)c1ccc(B(O)O)cn1	2255519195	UNCCQBSEDMPMKT-UHFFFAOYSA-N	246.075	-0.388	50	10	BBGE	
CC1(C)CC=CCN1C(=O)c1cc(B(O)O)n[nH]1	2255548639	BYXGYJVPYWMOKE-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)n[nH]1	2255553187	VPXGRSYHLHLUHB-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2255558709	ISHSGCRSBOUQQK-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
O=C(NCc1ccn(C2CC2)n1)[C@H]1C[C@@H]1B(O)O	2255563612	HZAGTFITHJHRMZ-UWVGGRQHSA-N	249.079	-0.303	50	10	BBGE	
CN=c1ccc(NC(=O)C2CC(B(O)O)C2)c[nH]1	2255571518	PLTOITZLYUCGBL-UHFFFAOYSA-N	249.079	-0.263	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC[C@@H]2C[C@@H]21	2255689550	MSOKQNGXYXDBKU-XCBNKYQSSA-N	249.050	-0.260	50	10	BBGE	
CN(C(=O)c1ncncc1B(O)O)C1CCCC1	2255730792	UETFPTAKKXPMDD-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(C(=O)NC2[C@@H]3CCC[C@@H]23)oc1B(O)O	2255784226	DCEWQAPVIMLOCA-HTQZYQBOSA-N	249.075	-0.204	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1nccnc1B(O)O	2256056786	LSBOENCQYFCNOL-QMMMGPOBSA-N	249.079	-0.973	50	10	BBGE	
C=C=CCC(=O)N1CCc2ccc(B(O)O)cc21	2256599047	SZGPELBHRITFJQ-UHFFFAOYSA-N	243.071	-0.013	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCn2cncc2C1	2258588125	GLNFOICRPFEUBF-MWLCHTKSSA-N	249.318	-0.285	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CC[C@@H]1O	2298165852	CHUMLDDJGSLQDS-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
O=C(NC1CC([C@@H](F)CO)C1)[C@@H]1C[C@@H]1B(O)O	2298369258	OLCVNHJFHYWBJQ-QAWYCMSJSA-N	245.059	-0.926	50	10	BBGE	
O=C(N[C@H]1CCCCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298376676	IMSQTJMPDXVAMG-DOLQZWNJSA-N	241.096	-0.341	50	10	BBGE	
Cc1cc(OC[C@@H]2CCN2C)ncc1B(O)O	2298953641	VVNCSPQFVAXSBY-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](c2ncc[nH]2)C1	2312850608	NKZGPHSYPRLGIQ-HRDYMLBCSA-N	249.079	-0.412	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317351531	JXDQJROLJLJGTE-UFBFGSQYSA-N	249.075	-0.232	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)C(=O)N(C)C	84700479	GDXYXGQMFJAJHA-YFKPBYRVSA-N	228.701	-0.421	50	10	BBGE	
CCOCCN(CCOCC)C(=O)NN	131369326	NHPGZXUVRFOUNA-UHFFFAOYSA-N	219.285	-0.055	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCn2cnnc2C1	132830251	VXEKLWNLCHQPQG-ZCFIWIBFSA-N	230.655	-0.214	50	10	BBGE	
CCc1nnc(NC(=O)NN)nc1CC	165208910	MZQLXKHYGXUXPY-UHFFFAOYSA-N	210.241	-0.008	50	10	BBGE	
C[C@@H](CN(C)CC1(O)CCCC1)C(=O)NN	167221603	POECSNKHOTULSM-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CCN1CCO[C@@H](c2ccc(B(O)O)cc2)C1	200360457	DVKRSISXZLDMBW-GFCCVEGCSA-N	235.092	-0.240	50	10	BBGE	
O=c1ccn(Cc2ccc(B(O)O)cc2)cc1	203149841	DDHWABGZRCCCQO-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
N#C/C(C(N)=O)=C1/N=C(NN)c2ccccc21	207612816	MEPWBBBPBIAMAJ-HJWRWDBZSA-N	227.227	-0.370	50	10	BBGE	
C[S@](=O)CCNC(=O)NC(=O)CCCl	229265542	XDQPTLTZWATQLD-AWEZNQCLSA-N	240.712	-0.180	50	10	BBGE	
CO[C@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1OC	234820863	FEFHMMHNOJILNA-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
COC(=O)c1cc(C#N)ccc1B(O)O	238342219	UHHYWXAKCCSQBQ-UHFFFAOYSA-N	204.978	-0.975	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@]1(CO)CCOC1	307167020	QKQHNNDTQWQCPW-POYBYMJQSA-N	207.657	-0.119	50	10	BBGE	
Cn1nnc(CN2CCOC[C@H](Cl)C2)n1	307236108	GOUJLIJKIHLYPC-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
OB(O)c1cc(O)c2sccc2c1O	307539377	UOTOXNYLHLDKDR-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CC(C)[C@@H]1C(=O)C/C(=N\NC(N)=O)C1=O	308678831	UNPXUFHFZFGCIH-IGCGCMMHSA-N	211.221	-0.175	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCC(O)(C(N)=O)CC1	309208135	NAFUSBHMYANBBQ-SSDOTTSWSA-N	248.710	-0.300	50	10	BBGE	
CC1(C)OCC[C@H]1N1CC(=O)OC(=O)C1	328212818	KVNFMBKGEFLGKR-SSDOTTSWSA-N	213.233	-0.061	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H](CC)CO	382104858	PIXPSAKUSWKTHE-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC(O)C1	384090953	BSHHQGLIJAUCCN-UHFFFAOYSA-N	225.248	-0.632	50	10	BBGE	
COc1ccc(CC(=O)CCl)cc1B(O)O	396022350	MGLSXZCXOMWSPE-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1CC#N	396137257	LKENKCAOWDWJAL-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
C[C@H]1COCCN(CC(C)(C)C(=O)NN)C1	399697292	VEOBDIRWGAKAHA-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	404963410	AIHSWOJGLVJYIO-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)[C@@H](C)C(=O)NN	688173275	UACAZOJFMRZGSG-GUBZILKMSA-N	229.324	-0.032	50	10	BBGE	
COCC(COC)S(=O)(=O)N=C=O	688555818	NEXURSBEDUFBOZ-UHFFFAOYSA-N	209.223	-0.687	50	10	BBGE	
COC[C@H](CN(C)[C@H](C)CC(=O)NN)OC	691286776	NWEKYZGZLUPSSI-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
CCN(CCCC(=O)NN)[C@@H]1CCN(C)C1	693438472	PLDJTABQCRQLHH-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(C)CC1	693813832	LEJHVYNIIVEYRR-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCn1nc(C)cc1Cn1ccc(B(O)O)n1	694270318	NFVFGCBOJBCMLQ-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
COC[C@H](COCCCCC(=O)NN)OC	695708987	JGBMGDSLHHBPDU-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cscn1	697821958	PVUPAMPTNAQVNK-BYPYZUCNSA-N	214.250	-0.690	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CC(OC)C1	703368856	IMSHIUUOSOSDJW-RTBKNWGFSA-N	245.323	-0.652	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CCC(=O)NN	706193709	DQRRBCHJTLSAQX-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCNC(=O)C[C@@H]1C	707347419	QUDZOCXMEXRFNO-XHNCKOQMSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCF	716686106	NOKJGUPRFLFIHR-SSDOTTSWSA-N	207.249	-0.717	50	10	BBGE	
O=S(=O)(CCCl)N[C@]12COC[C@@H]1C2	718109551	GAFQRNHPBKJJSA-NKWVEPMBSA-N	225.697	-0.067	50	10	BBGE	
NNC(=O)N1CCS[C@@H](CCO)C1	720066964	GFBRBYDVGXZIBW-LURJTMIESA-N	205.283	-0.631	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)n1	720837584	GTRWUTZJLRLLTK-UTLUCORTSA-N	236.080	-0.480	50	10	BBGE	
NC(=O)N1CCN(C[C@H](O)CCl)CC1	721657328	INXCZNQQBFCHEF-SSDOTTSWSA-N	221.688	-0.718	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C=CS[N]1	725711758	UQXFAIDSEAZANZ-VIFPVBQESA-N	249.080	-0.547	50	10	BBGE	
COC[C@H](OC)C(=O)NNC(=O)c1ccoc1	824703114	XCSWBUBZAGUJCK-QMMMGPOBSA-N	242.231	-0.298	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C1CC(=O)C1	1292350343	GDVVXASRBRKRJC-UHFFFAOYSA-N	213.237	-0.296	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)NC1CC1	1318982635	IZOYLVRTCJVNLK-UHFFFAOYSA-N	224.220	-0.290	50	10	BBGE	
COC(=O)NNC(=O)CCCCC(N)=O	1322756064	KDYWCCYFYUCFIN-UHFFFAOYSA-N	217.225	-0.581	50	10	BBGE	
CN(NC(=O)CCc1cn(C)nn1)C1CC1	1328744343	KDVLAAVFHCDGCK-UHFFFAOYSA-N	223.280	-0.127	50	10	BBGE	
O=C(Cn1ccccc1=O)NNc1ccncn1	1627967746	YOBXUSXHVUHTLY-UHFFFAOYSA-N	245.242	-0.218	50	10	BBGE	
N#C[C@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1C2	1648686240	NCABXGBKUIUTJX-DKCNOQQISA-N	237.259	-0.544	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@@H]1C[C@H]1Br	1877357229	BPISNAZMBGRMHM-CRCLSJGQSA-N	246.112	-0.155	50	10	BBGE	
O=C(NC1CNC1)[C@@H]1C[C@H]1Br	1877415545	ZWYCPTGOIGZUHD-PHDIDXHHSA-N	219.082	-0.142	50	10	BBGE	
NC1CN(CC(=O)NC2CC(Cl)C2)C1	1884412161	MPARDCWHTFBZGZ-UHFFFAOYSA-N	217.700	-0.485	50	10	BBGE	
CN(C)S(=O)(=O)c1ncn(CCCl)n1	1885227043	NRPKJDWDJUWEGU-UHFFFAOYSA-N	238.700	-0.233	50	10	BBGE	
O=C(F)OCc1nnc2n1CCNC2	1887187667	FUKWQTKQBZDJBI-UHFFFAOYSA-N	200.173	-0.013	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)NC[C@@H]1C[C@H]1Cl	1893099584	PRFYVHCJASOWHG-RRKCRQDMSA-N	220.700	-0.172	50	10	BBGE	
O=S1(=O)CCNN(C[C@@H]2C[C@@H]2Cl)CC1	1893119716	QETKHZTXMSIELG-YUMQZZPRSA-N	238.740	-0.151	50	10	BBGE	
CN(C)NC(=O)C[C@H]1CC(F)(F)CN1	1898972698	VBWPTDXJLZBHBU-LURJTMIESA-N	207.224	-0.034	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3C[C@@H]32)n1	1899254141	UIWXNUFXOUSNPQ-SCZZXKLOSA-N	218.065	-0.332	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCC[C@H]1C[C@H]1C(=O)NN	1900535806	WVROIYQISXNKFB-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1COCC1(C)C	1901128455	JPTJAIKRLHZOJT-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H](N)C1(C)C)S(C)(=O)=O	1901341269	RVLUVSWVAFFEQN-BQBZGAKWSA-N	249.336	-0.718	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@@H](C)[C@@H](C)C(=O)NN	1902092852	VACFTDIJFIXYKP-KXUCPTDWSA-N	231.340	-0.050	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCSC2)ncc1F	1903010307	OEJMSTOCJOJNEN-ZCFIWIBFSA-N	242.084	-0.182	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3COC[C@@H]32)on1	1908819503	PNFZOTLNMXACEF-MUWHJKNJSA-N	238.247	-0.891	50	10	BBGE	
NNC(=O)c1nc(CN2CC(F)(F)C2)ns1	1917243474	SNSHJVLCYVKVCR-UHFFFAOYSA-N	249.246	-0.408	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154504	GPRLZDPGWCSUBE-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
OC[C@H]1C[C@@H](CO)N(CCOCCCl)C1	1928368454	ULHSCLSFIVLOGF-UWVGGRQHSA-N	237.727	-0.083	50	10	BBGE	
CO[C@@H](C(=O)N(C)N)[C@@H]1CCCOC1	1930601623	WFVDQCGGEMDFSE-HTQZYQBOSA-N	202.254	-0.240	50	10	BBGE	
CS(=O)(=O)C1CN(C[C@H](Cl)C#N)C1	1932097849	KQRVHQHOKIWPCT-ZCFIWIBFSA-N	222.697	-0.154	50	10	BBGE	
CO[C@H]1C[C@H](N(C)CC(=O)NN)C1(C)C	1934924650	YXHWGDCJQNPNPO-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
CC1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936094732	PMYXEIBLIFLULF-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CCCO2)C1	1936094969	RVNYXECLIDCLTJ-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@H]1C[C@H]1C(=O)NN	1936095445	XDPOTCWQCNTJQN-OPRDCNLKSA-N	226.324	-0.752	50	10	BBGE	
CN1CCCC[C@@H]1Cn1ccc(B(O)O)n1	1937000131	IWQRQOFXIUWPLH-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
O=C(CCn1cnnn1)N[C@H]1COC[C@H]1Cl	1937142918	MVSJZZAFCXVFNW-RQJHMYQMSA-N	245.670	-0.814	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CO)C1(C)C	1938473144	JVNDHYSOEPGMCD-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H]2COCC[C@@H]21	1940343112	HTLITYSQYLWYSB-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CN(Cc1ccnn1C)CC(F)(F)C(=O)NN	1940892246	VMKJOQQGHDFCBO-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCCC[C@H]1O	1941088373	PXNYNAYTNZRCJY-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
O=C(c1ncccn1)N1CC[C@H](B(O)O)C1	1951320395	JUFINODJEDUXTC-ZETCQYMHSA-N	221.025	-0.835	50	10	BBGE	
CNC(=O)C1CN(C[C@H](O)CCl)C1	1954821701	CPQIPJWJCZLYSS-SSDOTTSWSA-N	206.673	-0.736	50	10	BBGE	
O=C(CCCl)NC(=O)NC1COC1	1954848698	IQUWKEGZBNHAAX-UHFFFAOYSA-N	206.629	-0.160	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)C(C)(F)F	1956883877	DEHHSSMKTCUJMQ-BYPYZUCNSA-N	209.196	-0.474	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@]12CC2(F)F	1956892311	WCBQYLFBKZFDMZ-CAHLUQPWSA-N	206.192	-0.355	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNC(N)=S)C1	1957318955	QYCIYKOTSMRNLO-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	1958797064	GRCZGRKMFAZADO-VQVTYTSYSA-N	234.683	-0.549	50	10	BBGE	
CN(C1COC1)C1CN(C[C@H](O)CCl)C1	1961836652	DYMFGCAEHLCRDX-SNVBAGLBSA-N	234.727	-0.399	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1	1969584106	BHTHENIXXJQXSJ-KWQFWETISA-N	233.076	-0.153	50	10	BBGE	
NC(=O)C1(O)CN(c2ncccc2CCl)C1	1975623941	ZURYQIMSGKRTPS-UHFFFAOYSA-N	241.678	-0.143	50	10	BBGE	
C[C@@H]([C@H]1COCCO1)N1CC(=O)OC(=O)C1	1976574363	WSTXOZSNZBEDMU-JGVFFNPUSA-N	229.232	-0.824	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC([C@H](F)CO)C1	1979547600	ILXKDCPINHHQNP-VXNVDRBHSA-N	233.287	-0.593	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCN(CCO)C(=O)C1	1981025191	WSBCZICTAUHZFU-QMMMGPOBSA-N	248.710	-0.333	50	10	BBGE	
OB(O)c1csc(N2CCOC3(CC3)C2)n1	1981468867	JHKVGGGAUCYSLS-UHFFFAOYSA-N	240.093	-0.808	50	10	BBGE	
Cc1cc(N2C[C@@H](C)[C@H]2C)ncc1B(O)O	1981470589	CBNJQMXBTGMBOV-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ncc(F)cc1B(O)O	1988005422	ZKNYJTJXHLDIMR-RCOVLWMOSA-N	224.044	-0.255	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1=CCSC1	1990775585	XLPWSQDILFWFOO-UHFFFAOYSA-N	243.332	-0.241	50	10	BBGE	
C=C(CN1CC(n2cc(C)cn2)C1)B(O)O	1992145459	LOSHEXSSTFZQNN-UHFFFAOYSA-N	221.069	-0.384	50	10	BBGE	
C=C(CN(C)C[C@H]1CCCCN1C)B(O)O	1992160133	SCRFIWXDIPSNCY-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
C[C@H]1C[C@H]1OC[C@]12C[C@](C(=O)NN)(CO1)C2	1993891854	WBKBOOUBFCAOCU-OEIWMXHLSA-N	226.276	-0.050	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)C1(C2CC2)CC1	1998134610	FWWVGNVMTQHKDW-ZETCQYMHSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1nn(C)cc1C(=O)NN	2003505449	BKDVUNYACQIJHG-LURJTMIESA-N	237.263	-0.856	50	10	BBGE	
OB(O)c1cccnc1N1CC(CC(F)F)C1	2004931101	ZJCRIWPEHDPASV-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3(CCC3)C2)n1	2005015199	XIFLWPJRJUPTBB-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)c1cnn(C)c1	2008871297	TXZAZHGRJXIWJL-UHFFFAOYSA-N	247.249	-0.128	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H](CO)[C@H]2CC[C@@H]1C2	2008979922	PHMSIGVYZSLYNC-QUARPLMYSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3COC[C@H]32)on1	2013468778	PNFZOTLNMXACEF-IMTBSYHQSA-N	238.247	-0.891	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)CC12CC2	2014770963	CKNAZVUXLVIJJE-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
Cc1nc(C)n(-c2ncc(F)cc2B(O)O)n1	2014931942	HYPWBCVKISTXGB-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
O=C1CN([C@H]2CCCn3ncnc32)CC(=O)O1	2019172941	UYJDJNPETRTCGE-ZETCQYMHSA-N	236.231	-0.502	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1[C@H]2COC[C@H]21	2020067078	CRMVPLXRORRQMW-KDDQHCCQSA-N	237.064	-0.904	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CCC[C@@H]2F)n1	2020493222	JJRGWTZKUOSUCJ-IUCAKERBSA-N	240.043	-0.266	50	10	BBGE	
COC[C@@](C)(CN(C)[C@H](C)CC(=O)NN)OC	2021121175	KHPOEDZEXAPOQE-MWLCHTKSSA-N	247.339	-0.262	50	10	BBGE	
Cc1cc(N2[C@@H]3COC[C@H]2C3)ncc1B(O)O	2021408899	JTEOCHMZSDDEEU-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
CO[C@H]1C[C@@H](C)CN(CCOCC(=O)NN)C1	2025523557	YRMFFPUPNKMABF-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2cnc(C)nc2C1	2025606445	ALLINONTGBHIAV-SNVBAGLBSA-N	235.291	-0.131	50	10	BBGE	
OB(O)c1ccc(CN2CC(N3CCC3)C2)cc1	2034793416	KBEFZKRJBWPGSV-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
COC1(CN(C)Cc2ccccc2B(O)O)CC1	2048915899	GGEBYXAEIRDMRA-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@]12CC[C@@]1(C)CN(c1ncncc1B(O)O)C2	2060857963	KCBZEFHQTWPNDO-TXEJJXNPSA-N	247.107	-0.217	50	10	BBGE	
CCOC(O)=C1C=C(C#N)C(=O)NC1=O	2069358220	PSEVMLUNWQXTRW-UHFFFAOYSA-N	208.173	-0.101	50	10	BBGE	
OCc1cc(B(O)O)ccc1Br	2080506320	RYTXDSCNRZRNHN-UHFFFAOYSA-N	230.854	-0.379	50	10	BBGE	
O=c1cccnn1Cc1cscc1B(O)O	2211134772	BQYBSNQTGZQPGX-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cncc(F)c1=O	2212632904	LLNJPAIDWHFDRZ-UHFFFAOYSA-N	236.153	-0.992	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](O)C(F)(F)C1	2215775811	JDBMCLXQUYHNJM-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@H](CO)C1	2215777018	QFGPVUFMRKMYJQ-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](F)C2)CCOCC1	2216875344	WLITWLAYXWPAPW-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]2[C@H](C)O)cc1B(O)O	2217180178	QSWYZOIXNHZJLC-OYNCUSHFSA-N	236.080	-0.749	50	10	BBGE	
N[C@@H]1CC[C@H](Nc2nccc(B(O)O)c2F)C1	2217182118	ZIEQKHJVQKUXLJ-RQJHMYQMSA-N	239.059	-0.808	50	10	BBGE	
CC[C@]1(Oc2cc(B(O)O)ccn2)CCNC1	2217186309	ILZWNRHTVWXMSM-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
CN(Cc1ncccn1)C[C@@H]1CC[C@H]1C(=O)NN	2221561072	JWCAQDUFUULFDO-VHSXEESVSA-N	249.318	-0.076	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(c1ncccc1B(O)O)C2	2222842005	HEJHSBUVBIXMTK-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@@H](O)C[C@H]2C3)c1	2223636541	LBZIFKKOEHDPLU-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1ncccc1Oc1ncc(B(O)O)cn1	2223654725	RKAVCWILRVOQNC-UHFFFAOYSA-N	242.003	-0.785	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3OCCC[C@@H]23)nc1	2223669021	FGFDONSAGKCSHU-IVZWLZJFSA-N	249.079	-0.864	50	10	BBGE	
CCCC1CC(CN=c2ncc(B(O)O)c[nH]2)C1	2223678312	ZYZHWANFKBNGSN-UHFFFAOYSA-N	249.123	-0.184	50	10	BBGE	
CC(F)(F)CNC(=O)[C@H]1C[C@H]1B(O)O	2241479763	FJRQNBSTNDSXOA-CRCLSJGQSA-N	206.985	-0.379	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H](Cl)C1)c1nc[nH]n1	2241653736	LYRBFHNWGRDVRU-URHBZAFASA-N	236.684	-0.147	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)[C@@H](C)CO1	2243357132	RPNFQIZTDVLQLX-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
CN(CC1CC1)C(=O)c1csc(B(O)O)c1	2243361383	AJWPYRPBPSNBQJ-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
C#CC1CCC(NC(=O)C#CB(O)O)CC1	2243362440	QXMIKWMFXRAEQL-UHFFFAOYSA-N	219.049	-0.690	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CC1	2243364092	QQIKUVRGYLXELK-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)C1(B(O)O)CC1	2243364918	FGTBYSICSYRVIG-OCAPTIKFSA-N	227.069	-0.587	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1sccc1B(O)O	2243376212	GLSLVQNBQCOEAJ-YFKPBYRVSA-N	239.061	-0.811	50	10	BBGE	
CC1(C)COCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382427	OCYZANSRARNFHQ-OCAPTIKFSA-N	227.069	-0.166	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1N	2243398949	VQYOWTMSOPWTDD-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
CC(C)C[C@H]1CC[C@@H]1NC(=O)C#CB(O)O	2243399498	MRBLXKTXVCANDG-ZJUUUORDSA-N	223.081	-0.057	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H](CCO)C1	2243426942	OASPFUKLFHSOCF-CIUDSAMLSA-N	227.069	-0.920	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1COC2(COC2)C1	2244361446	WUDAWQSAYIRTFL-ZETCQYMHSA-N	245.662	-0.018	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)ccn2)CCC1	2244930483	AUOIANUMUCRWKL-UHFFFAOYSA-N	216.049	-0.271	50	10	BBGE	
Cc1ncc(B(O)O)c(N2O[C@H]3CC[C@H]2C3)n1	2247073144	ZUABZPOGQKFLKQ-YUMQZZPRSA-N	235.052	-0.862	50	10	BBGE	
CC(C)[C@@](C)(CO)NC(=O)C1(B(O)O)CCC1	2247732527	GYODFKMGHYGGHB-SNVBAGLBSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H](CO)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787160	LRJBECWZOSENHE-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCNC1	2247790007	DUZPOPKREKGMKP-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H](CO)C1CCCC1)[C@@H]1C[C@@H]1B(O)O	2247798462	ULLGJEFHOAYKSR-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@@H]1N	2247807312	QMPMFMZYMQZGJH-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)C1(B(O)O)CCC1	2247855807	YJOUHUQXLOENRV-SECBINFHSA-N	243.112	-0.141	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885198	HDLCOQBBPOSZPD-XCBNKYQSSA-N	237.068	-0.992	50	10	BBGE	
O=C(NC[C@]12CCOC[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2247887904	TUFHMBSYVILKPT-QCBRBAQYSA-N	239.080	-0.608	50	10	BBGE	
C#Cc1c(NC(=O)[C@H]2C[C@@H]2B(O)O)cnn1C	2247888442	ZOIWCXKWBRZDDR-BQBZGAKWSA-N	233.036	-0.797	50	10	BBGE	
C#Cc1c(NC(=O)[C@@H]2C[C@@H]2B(O)O)cnn1C	2247888445	ZOIWCXKWBRZDDR-RQJHMYQMSA-N	233.036	-0.797	50	10	BBGE	
C[C@@H](O)CN(C(=O)C1CC(B(O)O)C1)C1CC1	2247893109	MIJMKRKOTRBFRI-AFPNSQJFSA-N	241.096	-0.389	50	10	BBGE	
CC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCOCC1	2247897695	WCTPQNLNVNCSQY-RKDXNWHRSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902308	DZHDBTPRNKARLK-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
Cc1ncoc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903638	MFWVXXBVAARCIF-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1(B(O)O)CCC1	2248586617	DFIIVIBXJRFHGF-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1cocc1B(O)O	2249419840	LYMUGWIUBVKQCY-RXMQYKEDSA-N	244.990	-0.656	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)ccn1	2250000093	DQTHWLYSPHPMAF-UHFFFAOYSA-N	232.048	-0.475	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	2250542266	GLBWXJDIUVMNEI-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
OB(O)c1cccnc1OCC12CC(CO1)C2	2251237462	RPWIWOILVSECGP-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
Cc1ccc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]n1	2252825220	YZIPENBJMSQFKC-OCAPTIKFSA-N	235.052	-0.602	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2255713464	BCZMHCDDCBRMLQ-SECBINFHSA-N	246.075	-0.591	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2255723241	ZVUGHPXJYRWDLA-IWSPIJDZSA-N	249.075	-0.122	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(B(O)O)cc1C	2258267934	DHIUIORNUQSQGB-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1C	2298375083	YHZPXAAFAJSWAQ-QEYWKRMJSA-N	240.112	-0.552	50	10	BBGE	
C[C@]1(O)CCN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300375922	ZJQCXYBKMPJSIZ-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
CC(C)n1ncnc1[C@@H](C)NC(=O)C(=O)NN	2302071420	AOHAJOLBWISLRC-ZCFIWIBFSA-N	240.267	-0.974	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CC[C@@H](C2)NC3)c1	2303682374	PXBADUDRPTUSOM-ONGXEEELSA-N	233.080	-0.932	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1occc1B(O)O	2312849314	RACAQSUQPULLGM-QXFUBDJGSA-N	247.059	-0.346	50	10	BBGE	
CC(C)c1ccnc(CNC(=O)C#CB(O)O)c1	2328386971	FLLDFSMCENQKFQ-UHFFFAOYSA-N	246.075	-0.163	50	10	BBGE	
CCCCN(CCO)CC(=O)NNC(C)=O	49800494	BEYJPFSFEDOHOQ-UHFFFAOYSA-N	231.296	-0.752	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)c1nncn1C	50421913	IILNLEDKWHUHDE-RXMQYKEDSA-N	245.670	-0.059	50	10	BBGE	
CC(C)N1CCc2n[nH]c(C(=O)NN)c2C1	66111356	IHUXLMWKCSVCFD-UHFFFAOYSA-N	223.280	-0.220	50	10	BBGE	
COc1ccc2c(c1)NCCN2CC(=O)NN	76926756	ATLZIQDHUKDLFD-UHFFFAOYSA-N	236.275	-0.083	50	10	BBGE	
NNC(=O)c1nc(CN2CCNCC2)cs1	82469776	ZKWXSUHASWFWGI-UHFFFAOYSA-N	241.320	-0.848	50	10	BBGE	
CCNC(=O)CN(CC)C[C@H](C)C(=O)NN	82471194	QZKBCJQCAXRUAW-QMMMGPOBSA-N	230.312	-0.930	50	10	BBGE	
CC(C)(N)CSC[C@H]1CC[C@@H](C(=O)NN)O1	85349778	ZRBOHCIYBZZZQZ-SFYZADRCSA-N	247.364	-0.006	50	10	BBGE	
CCOCCN(C)[C@H](C)[C@@H](C)C(=O)NN	87979996	XBBMZNZFWDFJNO-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
COC(=O)N1CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	107248051	LRMPCGWUPKXAAG-NTSWFWBYSA-N	213.189	-0.226	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC(=O)NC1CC1	110591182	NTJHKQBYLRKTGT-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)NC(=O)[C@@H](C)Cl	135314202	ZKBFYYRNYYGVIG-CRCLSJGQSA-N	235.671	-0.297	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)NC(=O)[C@@H](C)Cl	135314227	ZKBFYYRNYYGVIG-RFZPGFLSSA-N	235.671	-0.297	50	10	BBGE	
C[C@H](CNC(=O)NN(C)C)CC(=O)O	149127825	IIWGRITYVBTKEW-LURJTMIESA-N	203.242	-0.127	50	10	BBGE	
O=C(NCCCCl)C(=O)NC1=NCCS1	170359347	QDANUNOMSHFDEY-UHFFFAOYSA-N	249.723	-0.050	50	10	BBGE	
COc1ccc2c(c1B(O)O)OCCO2	197008658	KBXCJUZOBHLSLA-UHFFFAOYSA-N	209.994	-0.854	50	10	BBGE	
CN(CCSS(=O)(=O)O)C(=N)N	204955812	AHHQLBPBIOXJGJ-UHFFFAOYSA-N	213.284	-0.652	50	10	BBGE	
OB(O)c1ccc(COC2COC2)c(F)c1	218892326	KMQGIOSJFSYGRN-UHFFFAOYSA-N	226.012	-0.579	50	10	BBGE	
O=C1C[C@@H](N2CC[C@@H](Br)C2=O)CN1	229107753	AYJWBBUFLYSAJS-PHDIDXHHSA-N	247.092	-0.129	50	10	BBGE	
CCc1ccc(B(O)O)cc1CC(=O)O	238346045	RRJBHDIOXDJTRC-UHFFFAOYSA-N	208.022	-0.444	50	10	BBGE	
N#Cc1ccc(B(O)O)c(Br)n1	238620556	DJAASTMSMTYVOM-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	299906579	HFBDVMUHMXFPKM-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccc(B(O)O)cc2)C1	300039137	GMHULVDIVPFRAW-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	306757760	SXRSKRAMWWMYNA-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
COCOCc1c(F)cccc1B(O)O	308945794	GDHHOCSVEOMHJJ-UHFFFAOYSA-N	214.001	-0.374	50	10	BBGE	
CC(=O)NNC(=O)CN[C@]1(C)CCO[C@H]1C	309738617	CWMHKDWDLAIIKR-OIBJUYFYSA-N	229.280	-0.689	50	10	BBGE	
CCOC(=O)CCc1cnc(C#N)c(B(O)O)c1	310676827	KHPUXZLMVWIJNI-UHFFFAOYSA-N	248.047	-0.871	50	10	BBGE	
COCOCOc1cccc(B(O)O)c1	379827476	XKCPFELWXCYXJH-UHFFFAOYSA-N	212.010	-0.677	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)COC	381266433	UHAFDMRQQGPDEP-HTQZYQBOSA-N	231.296	-0.443	50	10	BBGE	
CN(CCCCO)Cc1nc(C(=O)NN)co1	384855286	DPPYOVCSUMHDID-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
O=C(O)CCc1cccc(B(O)O)c1C(=O)O	396132476	LACIGZSZMNBSGH-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
Nc1c(B(O)O)ccc2c(C(=O)O)csc12	396239578	GKBAYALTPHQWBY-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CSSCCNC(=O)c1n[nH]c(=N)[nH]1	397960259	HIEXEEUUBODMPZ-UHFFFAOYSA-N	233.322	-0.042	50	10	BBGE	
C[C@H](O)[C@H]1CCCN([C@H](C)CC(=O)NN)C1	688958285	JUFYGNDFKCIFAC-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](Cl)CN(C)C(=O)c1nnn(C)n1	697221067	FHYUDZBPSJGYGE-ZCFIWIBFSA-N	247.686	-0.464	50	10	BBGE	
CCOC[C@@H]1CN(C[C@H](C)C(=O)NN)CCO1	705879503	ROIDIKLSUJKWMH-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCO[C@H]1CCN(CCC(=O)NN)C1	706450254	WWLSVCOJWNGGMX-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC2(CC1)CC2	706953398	VAKJGGAXODDLRN-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718288608	GUSKPFQBBCPOFA-CIUDSAMLSA-N	227.308	-0.136	50	10	BBGE	
O=S(=O)(NCCCl)C1=NCC=N1	725598667	KUOMQNSPRCMEDF-UHFFFAOYSA-N	209.658	-0.415	50	10	BBGE	
C[C@H]1OCCC1=NNC(=O)[C@@H]1COCCO1	747765223	XLEPSGINGFMBJI-APPZFPTMSA-N	228.248	-0.317	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1CCC(C)(C)O1	787885972	GVBKPHMRKDWTJP-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)c1cn(C(C)C)nn1	794209753	HQPJJTHPFBMWFJ-UHFFFAOYSA-N	211.225	-0.360	50	10	BBGE	
CC1(OCC(=O)NNc2ncccn2)CNC1	843383503	XEXRMKCFFBZXEO-UHFFFAOYSA-N	237.263	-0.702	50	10	BBGE	
CN(NC(=O)[C@H](O)C(C)(C)O)c1ccccn1	913000035	BQSFVLJZYNFORJ-VIFPVBQESA-N	239.275	-0.319	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C/[C@@H]1CCOC1	1138284541	RZFWDLGZQWKMEU-MPJRPATESA-N	242.275	-0.503	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)C(N)=O)c1C	1320708937	VQCHZCKAAOTEOF-UHFFFAOYSA-N	211.225	-0.318	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccccn1	1322524859	LWVUOGXJPGIMCC-UHFFFAOYSA-N	208.221	-0.416	50	10	BBGE	
N#Cc1ccnc(C(=O)NNc2nc[nH]n2)c1	1324553835	FWZQWHZHTYJOCA-UHFFFAOYSA-N	229.203	-0.172	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1ccc[n+]([O-])c1	1557462253	OTDXGDUETCRXQB-UHFFFAOYSA-N	247.214	-0.882	50	10	BBGE	
CNC(=O)NNC(=O)C[C@H]1CCOC[C@H]1OC	1597341951	SDGXZIYBHWKXGA-HTQZYQBOSA-N	245.279	-0.612	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2ncon2)co1	1627099744	LRHCFLGKENJLPO-UHFFFAOYSA-N	247.170	-0.391	50	10	BBGE	
Cn1ccc(CCC(=O)NNc2nc[nH]n2)n1	1654622319	UBDDLCGUVLZBIO-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
O=C(N[C@@H]1CNOC1)[C@H]1C[C@@H]1Br	1881353113	AJHGACSZVJDYTH-SRQIZXRXSA-N	235.081	-0.211	50	10	BBGE	
O=C(O)[C@@H](O)CNC[C@H]1C[C@H]1Br	1881564876	NTKZJYUIGMEIKV-PBXRRBTRSA-N	238.081	-0.195	50	10	BBGE	
C[C@H](NC(=O)C1CC(Cl)C1)C(N)=O	1883636096	IJDZNNAGTMYBPT-KXGSVCODSA-N	204.657	-0.006	50	10	BBGE	
[N-]=[N+]=NCc1cc(C=O)cc(B(O)O)c1	1887551509	MLNYRJSOUADINN-UHFFFAOYSA-N	204.982	-0.011	50	10	BBGE	
C[C@@H](CN1CC[C@H](F)C1=O)C(=O)NN	1889043924	ZSMJTPYIXTUMOR-WDSKDSINSA-N	203.217	-0.817	50	10	BBGE	
Cn1[nH]c(=N[C@H]2C[C@H](Cl)C2)[nH]c1=N	1892875525	YRVODGOXEXAANA-URHBZAFASA-N	201.661	-0.169	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H](O)[C@@H](O)C1	1893469585	KQHNTQRHRORIKK-KVPKETBZSA-N	219.668	-0.432	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@@H]2Cl)CCCN1	1893470981	YKCQQHCNPNQFQY-BQBZGAKWSA-N	216.668	-0.038	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1[C@H](C)CC(=O)NN	1893845821	OQWOSRLGXGQNCR-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CON(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CCOC1	1894651699	OOYPDLRGIVPRQL-XHNCKOQMSA-N	229.280	-0.735	50	10	BBGE	
CCc1cnn([C@H](C)CC(=O)NN)c(=O)c1	1899127388	YPPNFCKUYUSIHQ-SSDOTTSWSA-N	224.264	-0.253	50	10	BBGE	
CC[C@@H]1CCN[C@H]1C(=O)NN(C)S(C)(=O)=O	1901378003	VPJNTXAROYUOKA-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(COCCn1cncn1)B(O)O	1901710155	QRPVQZVFOOUQGI-UHFFFAOYSA-N	225.057	-0.357	50	10	BBGE	
COC[C@@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	1910104852	VDDKHXZTTFQKTQ-ZJUUUORDSA-N	241.096	-0.267	50	10	BBGE	
C[C@H](CN1C[C@H](CO)C2(CCC2)C1)C(=O)NN	1914019217	NSGVIKHADFJEGT-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NN	1927824576	IMZLKCOVEDWJIK-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
O=C1CN(CC23CC(CO2)C3)CC(=O)O1	1928134406	IOOYZUGLZKWWJW-UHFFFAOYSA-N	211.217	-0.449	50	10	BBGE	
COC[C@@H](CCl)NC(=O)Cn1cnnc1	1928689744	ACRMIODSOWFKDZ-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H]1CO	1929740563	JUUMLMOFKXBOLK-IUCAKERBSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@]1(O)CCN(CCC(=O)NN)C1	1930889770	JUSZCNXJOYHURI-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
NNC(=O)C(=O)NC1(CC(F)(F)F)CC1	1933628689	CYEIPSSDOWLUTJ-UHFFFAOYSA-N	225.170	-0.423	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)[C@@H]1C(=O)O	1934602695	NHVYPGPQGCJPQH-RITPCOANSA-N	201.226	-0.423	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)[S@@](C)=O	1935213717	GRXAAFSAPOTOJH-CQSZACIVSA-N	233.123	-0.847	50	10	BBGE	
CN(CC1CC(O)C1)CC(F)(F)C(=O)NN	1935943359	CMXWVSFTKBXSTF-UHFFFAOYSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936092873	YGVYXNQMBMDJCW-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
CN(C[C@@H]1CCCO1)C[C@@H]1C[C@H]1C(=O)NN	1936094386	MPXZPFYLVSNQBD-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CCOCCN1CC1(C(=O)NN)CC1	1938231434	XBILYEIRJYEEHV-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)CCCN1C[C@@]23CC[C@]2(COC3)C1	1942757093	FTYNFBGFEZHMHU-VXGBXAGGSA-N	239.319	-0.131	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)C2(CC2)C1	1944722572	DAPFWHYDUGEEEH-RKDXNWHRSA-N	243.307	-0.898	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1944894021	KLDDYUNJAUJPLO-KOLCDFICSA-N	244.339	-0.983	50	10	BBGE	
COc1ccc(CNC(=O)C(=O)NN)c(C)n1	1950897622	XDCMWZZSZKRJJP-UHFFFAOYSA-N	238.247	-0.995	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@H](B(O)O)C2)co1	1951320826	RGIHGIXZNGQXFV-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H](O)C[C@H]1O	1954819846	XYIYFUUBRRYMTE-XZBKPIIZSA-N	207.657	-0.386	50	10	BBGE	
CCCn1nnnc1CNC(=O)CCl	1956730210	VBUODIHDTVLADO-UHFFFAOYSA-N	217.660	-0.062	50	10	BBGE	
O=C(NC1CC1)C1CN(C[C@H](O)CCl)C1	1960782937	BRAXESHAAICQRA-SECBINFHSA-N	232.711	-0.204	50	10	BBGE	
Cc1noc(C)c1CN(C)CC(=O)NN	1961298138	VLHLENSFMLPHFO-UHFFFAOYSA-N	212.253	-0.287	50	10	BBGE	
COC1(CNC(=O)c2cccc(B(O)O)c2)CC1	1972556597	PZKGAWDNCMZURE-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
CN(C)NC(=O)C12CCOC(CN)(C1)C2	1975286905	YQFQVRWZUNTNIX-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
OB(O)c1ccc(N(C2CC2)C2CC2)nc1	1981415685	HRBWJMZMZBKWFI-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cnsc1C(=O)NN	1981730623	SCMHSGXZAJTKEI-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
C[C@H]1CC(=O)N(CCC(F)(F)C(=O)NN)C1	1984128715	SQZLBXIUKLBJGS-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	1986567537	SMTTYWIPRUZDLG-QEYWKRMJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC(O)C[C@H]2C1	1986732681	UDDXMUCJSIVGOU-VGMNWLOBSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CC[C@H]2C[C@@H]21	1995197571	FEWQHCOFFMGHBX-OYNCUSHFSA-N	219.049	-0.061	50	10	BBGE	
NNC(=O)CCCCN1C(=O)C[C@]12CCOC2	1996643375	HTTWYGATHKJVOV-NSHDSACASA-N	241.291	-0.462	50	10	BBGE	
CC(C)C[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998133361	PWNKLGMGKFMADA-YUMQZZPRSA-N	245.084	-0.289	50	10	BBGE	
CC(C)(C(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	1998135270	MRLNNFYQBFMLOQ-SSDOTTSWSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1[C@H](C)CCCN1c1ncc(B(O)O)cn1	2004912514	URMXZVXOONSWFG-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1ccc(OCCOCC2CC2)nc1	2004952737	SSLLHFNWKVZUFV-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2C2CC2)c1B(O)O	2004972586	HVKOPLPZZXZMQL-SECBINFHSA-N	233.080	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ncn(C)n1	2008806929	NWFHYBPJHAVDOI-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	2012899024	DWUHSIVZKLTOAS-MYJAWHEDSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1[C@@H](N(C)[C@H](C)C(=O)NN)C2CCN1CC2	2017625909	ZYRVEKRKOCGDIJ-FXPVBKGRSA-N	240.351	-0.221	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)C[C@@H]1C(F)(F)F	2021104263	KDQNVZLLWZVILP-POYBYMJQSA-N	248.997	-0.294	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CCC[C@@H]1COC2	2021404304	NBFXRTJWUINYQG-AEJSXWLSSA-N	243.307	-0.755	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CCC[C@@H]32)n1	2052620034	NTRLIFODLYPHTG-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(B(O)O)c1	2052625708	NWNOHTIRPNNKGK-BFLSOPEQSA-N	244.103	-0.086	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(B(O)O)cn1	2054280344	CBTBDYCOUREHTO-RTCCRHLQSA-N	248.091	-0.910	50	10	BBGE	
COC(=O)[C@@H](N)CSSCCO	2080939638	GVLLINLTZAZXBD-YFKPBYRVSA-N	211.308	-0.140	50	10	BBGE	
N[C@H]1[C@H]2C[C@@H](CN(C(=O)F)C2)[C@@H]1CO	2210031034	WJVAVYRZYNBLEO-XAMCCFCMSA-N	202.229	-0.037	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2211492954	IXYBDVOASGGEIZ-RKDXNWHRSA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC=C[C@@H]1CO	2215770462	BUPHOQFEUFSRHN-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2215773895	UUYDZHIXMOIPBG-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC[C@H](O)CC1	2215778419	ZBGSOLYUQQMRBT-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@H]3C2)c1	2217173697	SYJIZOVXXOCIID-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
N[C@@H]1CCC[C@H]1Nc1nccc(B(O)O)c1F	2217181707	TYXDGTWDGGOYND-HTQZYQBOSA-N	239.059	-0.808	50	10	BBGE	
CC(C)N(CCC#N)c1cc(B(O)O)ccn1	2217182491	CWBVPCFAHUSWDK-UHFFFAOYSA-N	233.080	-0.110	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNc1ncccc1B(O)O	2217183328	HKABZSWVSYXAIE-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
CC[C@H](COC)Nc1nccc(B(O)O)c1F	2217185346	VSULCLXQIKPJTJ-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3COC[C@@H]32)c1	2217202834	MACXTKACHPWOMZ-FKTZTGRPSA-N	234.064	-0.792	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2CC[C@H]2C)c1B(O)O	2220611631	GBOUKLVRKZALLZ-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC[C@@H]2C[C@H]2C)n1	2220938440	ZQVGPJVXDXTXDV-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
NCC1(Nc2ncccc2B(O)O)CCCCC1	2223670430	XVKTWBONQLSAIJ-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
C[C@@H](N)[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223671553	NTQLAVXLCSWZKY-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
COC1(COc2nc(B(O)O)cs2)CCC1	2243154245	ZMFMHPVUHAJZCD-UHFFFAOYSA-N	243.093	-0.229	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCOCC1	2243350089	VJZPSRVKYGXOGJ-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243356817	NGTXMTNUBVVRBD-SSDOTTSWSA-N	224.069	-0.387	50	10	BBGE	
CCC(F)(F)C(C)(C)NC(=O)C#CB(O)O	2243357223	SZFCLOHMBDUPCR-UHFFFAOYSA-N	233.023	-0.058	50	10	BBGE	
O=C(NC[C@H]1OCC[C@@H]1F)C1(B(O)O)CC1	2243364230	SYWSTFHYBYCGOT-NKWVEPMBSA-N	231.032	-0.763	50	10	BBGE	
CO[C@H]1C=C[C@H](NC(=O)C2(B(O)O)CC2)C1	2243368394	HUOJSXXNCRXBJW-YUMQZZPRSA-N	225.053	-0.547	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)[C@H]1C[C@@H]1B(O)O	2243396322	KSQSSSXHDCERKM-CIUDSAMLSA-N	226.085	-0.892	50	10	BBGE	
NC1CC(CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397290	YJJIPXBHSFKJSS-PEBLOWIWSA-N	226.085	-0.907	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1CO2)C1(B(O)O)CCC1	2243398683	SHGRQYWZUIOWOQ-JGVFFNPUSA-N	225.053	-0.617	50	10	BBGE	
CC1(C)[C@H]2CC(NC(=O)C#CB(O)O)C[C@@H]21	2243399192	JWWVIXVGISOGJB-IUCAKERBSA-N	221.065	-0.447	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)C=CCCC1	2243399266	LBJAKTJVUJFYML-LLVKDONJSA-N	221.065	-0.136	50	10	BBGE	
C=CC1(NC(=O)c2ccoc2B(O)O)CC1	2243407939	CQFJGCAPURRFPJ-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CCCNC(=O)c1cccc(B(O)O)c1C	2243409676	MRLDYLARWGFSRG-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCNC1	2243409827	PQIWQFMDHLCNTQ-SECBINFHSA-N	226.085	-0.891	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CO1	2243411244	QLTDJOQGSHQZSD-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
COC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414819	IRNODLBGKNNSHU-VGMNWLOBSA-N	227.069	-0.656	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC=C[C@@H]1CF	2243415796	BXPKGRUOOFQUCC-HRDYMLBCSA-N	227.044	-0.024	50	10	BBGE	
CC(F)(F)C(=O)NCc1cc(B(O)O)cs1	2243685663	ZLGNOXGTNWBZJN-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243753080	QIWKGRGJUFCYLM-ZCFIWIBFSA-N	227.025	-0.931	50	10	BBGE	
O=C1CC[C@@H](CN2CCC(B(O)O)CC2)N1	2244176523	IAESHWRYHJWSOZ-VIFPVBQESA-N	226.085	-0.796	50	10	BBGE	
Cc1cc(OC2(C)COC2)ncc1B(O)O	2245010645	GIILRQUZGSOTOB-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
O=C(NCC=CC1CC1)c1coc(B(O)O)c1	2247734678	VPJBKJYNOJIGLG-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@@H](C1)C2	2247736514	WGKVATXWKZOPAT-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@@]2(C1)CC2(F)F	2247737206	DVWAIVAYGFNCGJ-IONNQARKSA-N	243.018	-0.304	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N(O)C1CCCC1	2247740013	FBKAAIKRQLUMRT-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1ccc(B(O)O)o1	2247740266	IFBRZDIDCNAUDY-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
CC(C)CO[C@@H]1CCN(C(=O)C#CB(O)O)C1	2247740632	NJJOHGNXQJLFNG-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]2C)c(B(O)O)c1	2247752015	HAWZMKPEOJSEFG-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
O=C(Nc1ccncn1)c1sccc1B(O)O	2247760384	HJVWURGNGHNXHX-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1cnn[nH]1	2247785234	HWBPNFZFNGGVOG-QYNIQEEDSA-N	238.056	-0.765	50	10	BBGE	
CC[C@H](O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786743	GBKJOUJQQFJNCJ-AEJSXWLSSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCCN1	2247790511	HVOCBOOYOCABTR-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
CN1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247796771	CRRFCIYBIYQKKH-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@H](B(O)O)C1	2247808277	KMEGDOKNSKDUGU-ZKCHVHJHSA-N	237.068	-0.415	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809220	YHXHRXWQADZILS-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
CNC[C@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809244	YMUPYEICXSYZQE-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC12CCC2	2247871121	WKDVLPUYKHPQQM-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
Cc1ccc(C(=O)N2CCC2=O)c(B(O)O)c1	2247875492	ZLUPZEIKLLSBPD-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1occc1B(O)O	2247878314	NKHNXMMXXWGKOY-VXNVDRBHSA-N	235.048	-0.512	50	10	BBGE	
C[C@]1(CO)C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896967	MHIMHJNHTKEVJR-FXPVBKGRSA-N	239.080	-0.611	50	10	BBGE	
O=C(NCC[C@@H]1CCCCN1)[C@H]1C[C@H]1B(O)O	2247898972	JAPRKJVQLJFZJE-LPEHRKFASA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576580	HNYFLQPZUFUFRY-BWZBUEFSSA-N	243.068	-0.534	50	10	BBGE	
CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248584868	CLVOVPCHSGDKCX-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248585377	KHKNESVUMZIYCV-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)c2cc(B(O)O)co2)C1(F)F	2249417450	GMLWNDDUJZDWOF-MHTLYPKNSA-N	244.990	-0.657	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CNC(=O)c1cocc1B(O)O	2249419650	JNLNQWKKTXALQZ-HQJQHLMTSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@H]2C1	2249428638	BFBQOPWTLCNBNI-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@@H]2N)cc1B(O)O	2250300058	RTPOXEJUKGVSST-SCZZXKLOSA-N	235.096	-0.781	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCCC12CC2	2255448561	GBCGLVHPTOIXBP-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)ccc1OC	2255498011	LLBBQXAUQJWDAL-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]32)c(B(O)O)c1	2255509337	JSPLOGQJWCWUKG-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
C[C@H](Cc1cccnc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2255584367	WGOCCEFBOIHASH-IEBDPFPHSA-N	248.091	-0.008	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1ccc(B(O)O)cn1	2255716502	DEHQQULRHPMATB-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1coc(B(O)O)c1	2255725726	PHCQTAFISCEQQD-OIOJTZEHSA-N	247.059	-0.656	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]2C[C@@H]2C1	2255727643	SSEJEISPLICPTD-BRPSZJMVSA-N	249.075	-0.204	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2258128474	QQKOZQKCMSXBMP-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
O=C(Cc1ccccc1O)NCCC#CB(O)O	2258956408	XYGJWMYFJMZLLH-UHFFFAOYSA-N	247.059	-0.544	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CC2)c1n[nH]cc1B(O)O	2260530729	IXYPWHOAVYKBAF-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298164929	QUTYPSKNYRBZTJ-VGMNWLOBSA-N	242.323	-0.931	50	10	BBGE	
OB(O)c1cnc(N2[C@@H]3C=CC[C@H]2CC3)nc1	2298225801	XWFWCYSZLPRWHR-ZJUUUORDSA-N	231.064	-0.546	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298369711	BYYUEDISVXQRSU-BIIVNPBRSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370419	YIHPOFRGKAYBKY-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376094	HRZCRULUSFDFLF-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@H]1CO[C@H](C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2298376553	CARWGDFBGHYLKT-KYXWUPHJSA-N	239.080	-0.467	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298376697	JRRRLLNUCWFRRC-KXUCPTDWSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1CC(B(O)O)C1	2298376916	WYPBXNHLQKZXQK-ANQZYXBKSA-N	239.080	-0.325	50	10	BBGE	
CC[C@](C)(CN(C)CC1CN(C)C1)C(=O)NN	2303424330	QOOPLLSZUQCDEN-GFCCVEGCSA-N	242.367	-0.114	50	10	BBGE	
C=CCC(C)(C)C(=O)N[C@H](CB(O)O)C(=O)O	2304055880	OAKVTJUJPIKFAT-SSDOTTSWSA-N	243.068	-0.369	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@H]12	2312856933	ZIWWPQRPCPLIET-DJLDLDEBSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CC[C@H]1C2	2312857381	RFEXXWWUZJYDJL-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCc2nccn2CC1	2315508824	YDSVFWILFYOZPD-ZJUUUORDSA-N	249.318	-0.633	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)C[C@H]2CN[C@H]1C2	2317129084	JXRFKEMHZBNMRD-PEXQALLHSA-N	248.091	-0.719	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@@H](N)C1	2317160570	FSJLDVBVPVXLRU-MNOVXSKESA-N	245.091	-0.470	50	10	BBGE	
N#CC(=CNCCCl)C(=O)N1CCNCC1	2324210378	VVMCXZKUZKZTCS-UHFFFAOYSA-N	242.710	-0.346	50	10	BBGE	
CC[C@H](NS(=O)(=O)N(C)C)C(=O)Cl	11893575	RELIKVJTKSIENK-YFKPBYRVSA-N	228.701	-0.074	50	10	BBGE	
N#CCC(=O)NNC(=O)NCCCl	34246342	MUOUCFIIVLSXQP-UHFFFAOYSA-N	204.617	-0.531	50	10	BBGE	
COC(=O)CN(C)C(=O)NC(=O)CCl	34963218	ZOZJITFNMXPUDD-UHFFFAOYSA-N	222.628	-0.434	50	10	BBGE	
O[C@@H]1[C@@H]2O[C@@H]2[C@H]2O[C@H]2[C@H]1Br	39149397	LVCQLWWLDHWMCB-IGZLJULPSA-N	207.023	-0.341	50	10	BBGE	
CCCN(CCO)[C@@H](C)CC(=O)NN	58846553	WSECNGFIEHUYJM-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
NCC(=O)N1C[C@H](CBr)OC1=O	82330758	ZXEBUQNSQCBUJL-BYPYZUCNSA-N	237.053	-0.313	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NCC(N)=O	86550077	WPOTUCQGHYWHSG-RXMQYKEDSA-N	228.701	-0.734	50	10	BBGE	
Cc1nccn1CCOc1ccccc1B(O)O	198929323	JKSLURYDIUUTPR-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CC[C@H](N)C(=O)N[C@H](CC(C)C)B(O)O	213616164	GCAUCSIDAMISFT-JGVFFNPUSA-N	216.090	-0.733	50	10	BBGE	
NC(=S)NNC(=O)c1cncs1	229315633	XEEIGBGHXATJSO-UHFFFAOYSA-N	202.264	-0.379	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(C)c([N+](=O)[O-])n1	232421099	IJCSCUAVQKPVEY-LURJTMIESA-N	243.223	-0.723	50	10	BBGE	
C[C@H]1C[C@H](N=C=O)CCN1S(=O)(=O)N(C)C	235600867	KDRWXJGGGXAYQP-DTWKUNHWSA-N	247.320	-0.019	50	10	BBGE	
Cn1ccc([C@H]2C(=O)NC(=O)[C@H]2Cl)n1	236109406	HYZHYDXPJLBOCG-RITPCOANSA-N	213.624	-0.233	50	10	BBGE	
N#C[C@H](O)c1cccc(N2CC(=O)NCC2=O)c1	260713606	UYSXSORKOXEQCZ-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
CO[C@@H]1CCCN([C@H](C)C(=O)NN)C1	299972628	MMDHJCCDCNCBAX-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H]1OC	300044763	FEFHMMHNOJILNA-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1NC(=O)C[C@H]1C(F)(F)F	306603757	DODNSNRKPULMQY-VVJJHMBFSA-N	211.143	-0.957	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C(=O)C(=O)O	306834932	RZOHMMDMDIGGJQ-UHFFFAOYSA-N	232.192	-0.804	50	10	BBGE	
Nc1ccc2sc(B(O)O)c(O)c2c1	307236038	ULUAWGQBPUWEJK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@H](C1CC1)N(NC(C)=O)C(=O)C(N)=O	309503944	JJQOJOPCEBHYBK-MRVPVSSYSA-N	227.264	-0.460	50	10	BBGE	
C[C@]1(O)/C(=N\NC(N)=O)CC[C@@H]1C(=O)O	379702161	JRIYTNCQDUWDTE-LEZXLYJCSA-N	215.209	-0.744	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C)[C@](C)(CN)C1	380820852	MDMCQSZFXCSVHU-IQJOONFLSA-N	228.340	-0.328	50	10	BBGE	
CC[C@@H](C)N(CCO)C[C@H](C)C(=O)NN	389375995	ASCLBFKOVQLYLN-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCS1(=O)=O	395556462	CTTHSLLXFILEST-UHFFFAOYSA-N	245.260	-0.972	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C(=O)NN)C(C)(C)C	395614722	NHVKZJFMUWSJCV-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
OCc1ccc2c(O)c(B(O)O)sc2c1	396353193	ZAQBWBIIFHSNLW-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](CSC[C@@H]1CN(C)CCO1)C(=O)NN	400747175	BCPHWSBDLORNNS-BDAKNGLRSA-N	247.364	-0.324	50	10	BBGE	
CN(C)C[C@@H]1CCCCN1C(=O)NN	405189126	LJWJFTORIZDAIU-QMMMGPOBSA-N	200.286	-0.014	50	10	BBGE	
OCc1cc(B(O)O)c(F)cc1S	575706214	TWUWURVTOZDXBQ-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)C(=O)C(=O)NN	688144747	KCCMPIVKYVQBNA-YUMQZZPRSA-N	229.280	-0.894	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)CC(=O)NN)[C@@H]1CO	688738126	PFXUTJIWHBWGGS-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCC(O)(C#N)CC1	692124789	WOQHTNCHEIGKNE-QMMMGPOBSA-N	243.288	-0.421	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)C[C@@H]1CO	700399556	SPKSROMSNKQFQH-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
NC(=O)NNC(=O)c1csc([N+](=O)[O-])c1	700886172	DSGMSHJUKIJXRZ-UHFFFAOYSA-N	230.205	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CCN(C)C)C1	701446649	NDHYFIZCUHVCRA-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cnn(C[C@@]23CCCN(CC2)C3)c1	703734670	HROJCTSWVHXKKU-NSHDSACASA-N	235.096	-0.951	50	10	BBGE	
CCOC[C@H]1CN([C@@H](C)CC(=O)NN)CCO1	706700022	JUUKROPMTJSTQE-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COCC1(N(C)C[C@H](C)C(=O)NN)CC1	707148576	WZJKMNKYKWJXMK-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](F)CN2)CC1	707617331	AMAKGGJKWANMMT-RKDXNWHRSA-N	241.266	-0.437	50	10	BBGE	
CNC(=O)CCCN1CCC(O)(C#N)CC1	709391024	OPLVYRLHUNLNGZ-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
OB(O)c1ccc2ncc(C(F)F)n2c1	716784351	NHVWWTHNFCDWMF-UHFFFAOYSA-N	211.964	-0.048	50	10	BBGE	
CCCN(C)C(=O)NNC(=O)[C@@H]1COCCO1	746003361	PSNSUDNORVJFQQ-QMMMGPOBSA-N	245.279	-0.516	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNC(=O)CN(C)C	769925112	DLRXVSXCXLQTCZ-DTWKUNHWSA-N	243.307	-0.632	50	10	BBGE	
COCCN(C)NC(=O)C1CC(C)(O)C1	837627048	RKDCRNPQDQTODX-UHFFFAOYSA-N	216.281	-0.243	50	10	BBGE	
C[C@@H]1NCC[C@H]1NC(=O)NNc1ncccn1	861701415	SSUCFOGJIUPTEM-JGVFFNPUSA-N	236.279	-0.147	50	10	BBGE	
CO[C@H]1C[C@@H](CNCc2cccc(B(O)O)c2)C1	863891797	CVDHKYZZVHAYLZ-BJHJDKERSA-N	249.119	-0.119	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CCC(F)(F)CO2)n1	888083908	YQYVRNPZBXGMSM-SSDOTTSWSA-N	246.022	-0.623	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C12CCN(CC1)C2	910141308	XRCMXELBCZIIQO-SECBINFHSA-N	227.308	-0.574	50	10	BBGE	
C[C@@H](CO)CN1C[C@@H](Cl)C(=O)NC1=O	952999650	ULKCWMMLRTVRPT-PHDIDXHHSA-N	220.656	-0.226	50	10	BBGE	
Cn1nncc1NNC(=O)c1cn2c(n1)CCC2	1118828199	WPHHSSHXHFFGTH-UHFFFAOYSA-N	247.262	-0.285	50	10	BBGE	
CO[C@@H]1COCC[C@H]1CC(=O)NNC(C)=O	1136043441	CZNHWSKUNCOYKD-DTWKUNHWSA-N	230.264	-0.405	50	10	BBGE	
Cc1cc(NNC(=O)Cc2ncc[nH]2)nc(N)n1	1302779724	DADNNTGIXOECHJ-UHFFFAOYSA-N	247.262	-0.224	50	10	BBGE	
O=C(CCl)NCC[C@@H]1CNC(=O)C1	1332816218	QKKZLWDFRCONRO-LURJTMIESA-N	204.657	-0.132	50	10	BBGE	
CNC(=O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	1543202170	JUMMECOUJLKLBU-OQFOIZHKSA-N	247.258	-0.811	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)c1cnsn1	1558282096	MRRQFNJPPIXULG-UHFFFAOYSA-N	242.260	-0.786	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1ccnnc1	1630215770	UHYJVYBRWHHARU-GQCTYLIASA-N	236.231	-0.212	50	10	BBGE	
OC[C@@H](O)CN[C@H]1C[C@@H](Br)C1	1880297516	PUPRJUAIIZKPTL-XVMARJQXSA-N	224.098	-0.145	50	10	BBGE	
Cn1cc(C(=O)NOCCBr)nn1	1883018438	KDSYLNNVSKBKAT-UHFFFAOYSA-N	249.068	-0.129	50	10	BBGE	
C[C@H](C(=O)NCC#CCCl)S(C)(=O)=O	1884809785	GQPFPBPGWYLZAW-SSDOTTSWSA-N	237.708	-0.222	50	10	BBGE	
C[C@@H]1CNC[C@@H](CC(=O)NN(C)C)O1	1885224896	ZKTUHUNJDXIRQZ-HTQZYQBOSA-N	201.270	-0.654	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]2Cl)C1	1893461912	UKZREFGQSBEHSI-CWKFCGSDSA-N	218.684	-0.595	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H](C)O1	1895135351	NYFFRYYCFPTRPM-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@H]1C[C@@H]1C(=O)NN	1900530470	XUWVYZXEISGKRP-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CSCCNc1ccc(C=O)c(B(O)O)c1	1901255175	LJMOGTPZYVIGKP-UHFFFAOYSA-N	239.105	-0.046	50	10	BBGE	
C[C@@H](CN)CC(=O)NN(C)S(=O)(=O)C1CC1	1901340387	DAVBQMFPNYYPCX-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
Cc1scc(C(=O)N[C@H]2C[C@H]2C)c1B(O)O	1902869113	VOMGNGNMFLHMEX-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
CC(C)(C)OCCCn1ccc(B(O)O)n1	1903554501	VIPHOAJMFXVTKK-UHFFFAOYSA-N	226.085	-0.232	50	10	BBGE	
C[C@@H](OC[C@@H]1CCc2nccn21)C(=O)NN	1904711507	KLZFADLODCALNY-SFYZADRCSA-N	224.264	-0.235	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2C[C@H]2C)n1	1907080370	NDTPPVCBVDXBOT-APPZFPTMSA-N	235.096	-0.443	50	10	BBGE	
C[C@H]1C[C@H](C(=O)N2CCC(O)(C#N)CC2)N1	1912838164	YUAZRWLBHMQJIJ-DTWKUNHWSA-N	223.276	-0.386	50	10	BBGE	
CN(Cc1cncc(C(=O)NN)c1)C1COC1	1915659328	YILDQBSXYLNUNL-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1[C@@H](C)C(=O)NN	1929659128	JDQUIBBMLCTZLH-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)C(=O)NCC12CCC(CC1)C2	1930933200	UBCDLDCQRKRNJF-UHFFFAOYSA-N	211.265	-0.327	50	10	BBGE	
CC(C)([C@H]1CCCCO1)[C@H](N)B(O)O	1931473895	XMBCSVJSDCTSRI-SFYZADRCSA-N	201.075	-0.079	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H]1F	1932370407	AKKAYGXDMPBQRS-SFYZADRCSA-N	219.260	-0.717	50	10	BBGE	
NNC(=O)CN1CCOC[C@@H](C2CC2)C1	1932448248	KNOAVVAXXJQPIT-VIFPVBQESA-N	213.281	-0.665	50	10	BBGE	
Cn1cc(Br)c(=NC(=O)NN)[nH]1	1934630812	IPCNCRDKNKNNHN-UHFFFAOYSA-N	234.057	-0.400	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936083788	KIITUDWZGVVCDP-SFYZADRCSA-N	226.280	-0.630	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089780	FJERDAYXPBIBLI-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
CN(CCCC(=O)NN)CCN(C)C1CC1	1936676569	VYSXRLMZGAYRSE-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@H]1COC[C@H]1Cl	1939166826	LVJXBRNOMOZMKM-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1941013216	UOSSWLOBUXIXPU-AEJSXWLSSA-N	247.314	-0.204	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCN(C2CC2)CC1	1941991477	LBILMGRGJMGXJE-VIFPVBQESA-N	240.351	-0.077	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(CC(O)C2)C1	1942499804	PRSSNHIAOSCFKD-SNVBAGLBSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCNC(N)=O	1953880483	FTHBJZZVEFFQQO-RXMQYKEDSA-N	207.661	-0.212	50	10	BBGE	
NNC(=O)c1ccsc1CC(=O)O	1954396347	AMENKCMKXKHTFN-UHFFFAOYSA-N	200.219	-0.021	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN(C(=O)NN)C1	1956315250	CRSCKPKKCRMZJJ-BQBZGAKWSA-N	203.242	-0.695	50	10	BBGE	
O=C(CNCCO)N1CCSSCC1	1956650638	SUXLVWCAKVNSOP-UHFFFAOYSA-N	236.362	-0.208	50	10	BBGE	
C[C@@H]([C@@H](C)N(C)C(=O)NN)S(C)(=O)=O	1956805162	PUKZRTJLGMEIPX-RITPCOANSA-N	223.298	-0.677	50	10	BBGE	
O=C(C[C@@H]1CNC[C@@H]1O)NCC(Cl)Cl	1957225293	HCCJMVIJJVHHLD-RITPCOANSA-N	241.118	-0.123	50	10	BBGE	
CC[C@H](O)CN(C)CC(C)(C)C(=O)NN	1959517019	MRZVSKQNFHFUSS-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSCCO	1961177637	LPVWPHLIAGGZGU-UHFFFAOYSA-N	230.293	-0.751	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@@](=O)[C@H](C)C1	1961553854	QHKUYGVVCKUWPS-KDZIRCDLSA-N	233.337	-0.792	50	10	BBGE	
CC(C)CCCn1cccc(B(O)O)c1=O	1984102720	WFYAHWKPWRDJRH-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
CCn1nc(C)c(C(=O)NNC(N)=S)c1C	1987618063	ARDRVGOHRQKNRI-UHFFFAOYSA-N	241.320	-0.002	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1	1991826929	HDJOBAQHQUXBIU-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@H]1COC2)C(=O)NN	1992316892	UBSRZKOUNUBOBL-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
N#CC1(O)CCN(Cc2nccc(=N)[nH]2)CC1	1996276955	HOTULEDDMIPRKN-UHFFFAOYSA-N	233.275	-0.260	50	10	BBGE	
C[C@@H]1CO[C@H](COc2cncc(B(O)O)c2)C1	2001600915	DKJXVDPFOIGUGW-KWQFWETISA-N	237.064	-0.435	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCCN2CCC(=O)NN)C1	2004308099	ZOXDGYITFZDTDQ-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CC[C@@H](COC)Oc1ccc(B(O)O)c(C)n1	2004924809	HVORTBXMQGBHLS-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CC(F)(F)C(=O)NN	2008786074	SIBDZOHVFDDYCZ-XLPZGREQSA-N	249.261	-0.279	50	10	BBGE	
COCCOCCCN(C)[C@H](C)CC(=O)NN	2013417460	JGGBJDNPACJTNJ-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
C[C@@]1(CCO)CCN(CC2(C(=O)NN)CC2)C1	2014778726	GNJQZSFQQHBXMS-NSHDSACASA-N	241.335	-0.149	50	10	BBGE	
CC(=O)NNC(=O)c1cc2c(cc1N)OCO2	2016968138	QTXXERRJECAJGN-UHFFFAOYSA-N	237.215	-0.222	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2CCO[C@H]2C1	2019176457	IHRDZYJZFSBNOW-ZJUUUORDSA-N	241.291	-0.736	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H](C)CN(C)C	2019213374	MZNHBILDWTWQSV-VIFPVBQESA-N	244.339	-0.574	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1O[C@H]2C=C[C@H]1C2	2021855389	ZEJGITWBVJRJOD-UWVGGRQHSA-N	232.048	-0.481	50	10	BBGE	
OB(O)c1cncc(OCc2ccncc2F)c1	2033940804	VSHCBDNKBCLBSI-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
COc1nc(N2CCC(O)(C#N)CC2)ncc1N	2039928716	VFWZQKKVBWEKAR-UHFFFAOYSA-N	249.274	-0.078	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCn2cccn2)n1	2064612187	UKBQYUFGMLVKQB-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CCO[C@@H]2C1	2065202125	IRUFBRXGKUNBOF-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
C=C(CN1CCN(c2ncccn2)CC1)B(O)O	2077492059	IFQVUARZTQSAJR-UHFFFAOYSA-N	248.095	-0.833	50	10	BBGE	
Cc1ncnc(N2O[C@H]3C=C[C@H]2CC3)c1B(O)O	2077855758	OMTQCWDVSYALNU-IUCAKERBSA-N	247.063	-0.696	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2(F)CC1C2	2079008770	MRBCHTPDRTWRCB-UHFFFAOYSA-N	249.050	-0.307	50	10	BBGE	
Cc1ccnn(Cc2ccccc2B(O)O)c1=O	2084717072	IARFIQDHEYXWNI-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@H]2Cl)ccc1=O	2210237102	YQFPMQYKXXRSKJ-YUMQZZPRSA-N	240.646	-0.267	50	10	BBGE	
COC[C@@H](OC[C@H]1C[C@@H](OC)C1)C(=O)NN	2212227770	GJPAGGIZQBDJKX-HRDYMLBCSA-N	232.280	-0.567	50	10	BBGE	
C[C@@H]1CSC[C@@H]1Nc1ncccc1B(O)O	2212601380	NGLXBIDKARBLNF-APPZFPTMSA-N	238.121	-0.075	50	10	BBGE	
CC(C)(CCN)Nc1ncccc1B(O)O	2212603373	OPYZYBBMQNDNHI-UHFFFAOYSA-N	223.085	-0.699	50	10	BBGE	
OCCCCCOc1ccc(B(O)O)cn1	2212606257	QYXPHGDROQVNEX-UHFFFAOYSA-N	225.053	-0.697	50	10	BBGE	
CNCC[C@@H](C)Nc1ccc(B(O)O)cn1	2212614893	HZXVMWFJILQJDM-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
CN1CCC[C@H](COC[C@H]2C[C@H]2C(=O)NN)C1	2214887544	XVRGOYWUVAKZIA-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@H]1CC[C@H]1C(=O)NN	2215777371	SHRATZAJGFXNOV-DJLDLDEBSA-N	241.291	-0.750	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H](O)[C@H]1CC2)C(=O)NN	2216250840	CCGUDGQFVPPYDI-OPRDCNLKSA-N	241.335	-0.010	50	10	BBGE	
Cc1cnc(OC[C@H]2C[C@H](N)C2)cc1B(O)O	2217168216	SYRQFYGVJDFAKQ-KYZUINATSA-N	236.080	-0.814	50	10	BBGE	
CCN(C[C@@H](C)C#N)c1cc(B(O)O)ccn1	2217172788	MMDORXCMRZVRSY-VIFPVBQESA-N	233.080	-0.253	50	10	BBGE	
C[C@@]1(C#N)CCN(c2ccc(B(O)O)cn2)C1	2217173887	UTFSKZMXEXOHGT-NSHDSACASA-N	231.064	-0.499	50	10	BBGE	
Cc1nnc(CNc2ccc(B(O)O)cn2)o1	2217173949	VMNXRWJOOBNBOD-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)[C@H]1CCNC1	2217196012	PGOCDKMTNRQFCF-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNc1cc(B(O)O)ccn1	2217201129	XCCLWQMOBMYPSF-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
CC(C)(C)[C@H](CO)Nc1cc(B(O)O)ccn1	2217204588	LXKLCULQUQNCLW-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccncc1	2223636984	BVGOLQFVGMIWRO-MRVPVSSYSA-N	244.063	-0.276	50	10	BBGE	
Cc1cnc(N[C@@H](C)c2ncon2)cc1B(O)O	2223647733	BQMQTIOLBZKIKK-ZETCQYMHSA-N	248.051	-0.374	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(B(O)O)cn1	2223661753	QWLNMCVZYHOMKB-URPMGSGRSA-N	248.091	-0.734	50	10	BBGE	
N[C@@H]1C[C@H](COc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2223665047	BLZKELBSXXKUSQ-GRLWKWRFSA-N	248.091	-0.877	50	10	BBGE	
CC[C@@H]1CN(c2ccc(B(O)O)cn2)CC[C@@H]1N	2223671516	NFIYVMCICCQQDM-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncccn1	2223677295	MEJCIYWXYPMEMG-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
CN(CCCF)C(=O)C1(B(O)O)CC1	2241473977	UMUGWLRKLFGGRB-UHFFFAOYSA-N	203.022	-0.189	50	10	BBGE	
CCONC(=O)c1csc(B(O)O)c1	2241479966	CHTZUBNHKREDOF-UHFFFAOYSA-N	215.039	-0.891	50	10	BBGE	
N[C@@H]1CCO[C@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241653024	BTRVAGQGNIKNAQ-WCTZXXKLSA-N	218.684	-0.011	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(O)C[C@H]2C1	2242811761	YEKVCNMKKKDSTJ-XPUUQOCRSA-N	235.234	-0.932	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cscc1B(O)O	2243346552	AIVBSONOOAFTPQ-QMMMGPOBSA-N	237.089	-0.290	50	10	BBGE	
COCC(C)(C)CCNC(=O)C#CB(O)O	2243356584	KBRIJTGBGLZYOM-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCCO1	2243364354	VTVKGRKZAKSARY-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2243380921	ANFFKDIXHZBNAP-HLTSFMKQSA-N	228.101	-0.694	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1(CO)CC1	2243381505	GPLPGGSGXITVSS-FXQIFTODSA-N	227.069	-0.874	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243391174	HJCLWECQNLDVOO-OYNCUSHFSA-N	226.085	-0.811	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C#CB(O)O)C1(C)C	2243398439	DSOHOBVJWUXVCC-QMMMGPOBSA-N	223.081	-0.057	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1CCCCO1	2243399790	QLHIXUAVENLGOM-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C1(CO)CC1	2243409833	PRGVTSYHOHMBRG-ZETCQYMHSA-N	227.069	-0.729	50	10	BBGE	
Cc1sc(C(=O)N[C@H]2C[C@@H]2F)cc1B(O)O	2243413775	NFIDTQIWEWLHKW-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCOC1	2243427429	VGDNKPMUPZCNOK-QXFUBDJGSA-N	227.069	-0.608	50	10	BBGE	
N[C@H]1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2244705309	BVIFXJMOYDVVGY-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
C[C@H](CCN)Oc1cc(B(O)O)c(Cl)cn1	2245913550	UBSHWQDQJPMIMC-ZCFIWIBFSA-N	244.487	-0.469	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccncc1B(O)O	2247722191	LBWNWTSDIALWHH-VIFPVBQESA-N	234.064	-0.710	50	10	BBGE	
CC(C)C1(NC(=O)c2coc(B(O)O)c2)CC1	2247736664	YFLSXVOROLUKGT-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1[C@H]2CC[C@H]1CC1(CC1)C2	2247740288	ILUYIJWYHQWNGG-UWVGGRQHSA-N	233.076	-0.065	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1ccc(B(O)O)o1	2247741115	UVDIHGKAWOAGBB-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](OC(F)F)C1	2247744132	ODOLVVMBQTUXNB-ZETCQYMHSA-N	247.006	-0.768	50	10	BBGE	
O=C(N1CCC2(CC1)CNC2)C1(B(O)O)CC1	2247755835	KCHLSTURGRSVQK-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
CC[C@H]1NCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247758443	VHKNJKIQTUEAAJ-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2247758673	VXSFDTSFSSLAAM-DTWKUNHWSA-N	238.096	-0.702	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@@H]1C	2247760552	JXQQKXOXBDPCQI-WPRPVWTQSA-N	233.076	-0.187	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCCN1	2247760588	KJFVDLJAYQYODC-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
O=C(NCC1(F)CCNCC1)[C@@H]1C[C@H]1B(O)O	2247809539	QAEXAZKILDCPLT-HTQZYQBOSA-N	244.075	-0.943	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810016	TVGHFFNQFFCUBC-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
COc1ccccc1CNC(=O)C#CB(O)O	2247850058	JDTRLYNHSOTPPC-UHFFFAOYSA-N	233.032	-0.673	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247854648	GNBPLYSTIQRFAR-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CCC[C@@H]21	2247870294	HQTMOZBRIBWWPI-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CCN[C@@H]2C1	2247896812	KNXBNZQZSKCHBW-AATLWQCWSA-N	238.096	-0.940	50	10	BBGE	
CCN(C[C@H](C)C(=O)O)C(=O)C1(B(O)O)CC1	2248578184	QSGXIBKMHBMUED-ZETCQYMHSA-N	243.068	-0.437	50	10	BBGE	
CC(C)(C)OC(=O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2248580110	ZJKBULBHMJOWQB-BQBZGAKWSA-N	243.068	-0.693	50	10	BBGE	
C[C@H]1C[C@@]1(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586612	DESUZQIMLMPBIC-DOACCVQLSA-N	241.052	-0.781	50	10	BBGE	
CN(CCC1CC1)C(=O)c1cc(B(O)O)co1	2249419371	GOADOGDJRWQCHK-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@]12C[C@H](CCO1)C2	2249999027	QKKODADOUPCIDJ-JGZJWPJOSA-N	237.064	-0.923	50	10	BBGE	
CCCc1cnn(CCCC(=O)NN)c(=O)c1	2250839921	GSYQABMXRMTDMK-UHFFFAOYSA-N	238.291	-0.034	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2255468830	HJFFOFLIRKCNAO-NEPJDUFXSA-N	249.075	-0.266	50	10	BBGE	
Nc1ccccc1NC(=O)c1occc1B(O)O	2255490702	MFAPVDGDKZQBAL-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1(C2CC2)CC1	2255499421	BECDXXMWJBLWLS-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
C#CC1CCN(C(=O)c2occc2B(O)O)CC1	2255744799	KZTDJLQZTZVUBN-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cocc1B(O)O	2258127545	JUMLKVPSSKBZQE-VAOFZXAKSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](Oc1nccc(B(O)O)c1F)[C@@H]1C[C@H]1N	2298224567	OMVDECFIEPRACR-GKROBHDKSA-N	240.043	-0.985	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368984	FEVVXKFJWAWXRO-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369306	QDHUVXIOEKVXEF-KATARQTJSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2298369360	RRCHJUOGMBCPTE-QCLAVDOMSA-N	239.080	-0.371	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@]21CO)[C@@H]1C[C@@H]1B(O)O	2298375718	XLJJBYQHUFJJNT-WNIYITNYSA-N	239.080	-0.874	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC[C@H]1C[C@@H]1C(=O)NN	2299030918	RHEVMJBFKZQEDC-UTLUCORTSA-N	241.335	-0.031	50	10	BBGE	
CC#C[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301421043	PBVFHRHXIVDYRR-VIFPVBQESA-N	232.044	-0.031	50	10	BBGE	
CC[C@@](C)(CN1CC([C@@H](F)CO)C1)C(=O)NN	2303410734	PBWSBYHXUQSACE-ONGXEEELSA-N	247.314	-0.345	50	10	BBGE	
OC[C@H]1[C@@H]2CC[C@@H](C2)N1c1ccc(B(O)O)cn1	2312612402	VRDMAFAWFPGKRK-MIMYLULJSA-N	248.091	-0.889	50	10	BBGE	
Cn1cnc(Oc2ccc(C=O)c(B(O)O)c2)n1	2317311618	SDEIUMWISGSAIA-UHFFFAOYSA-N	247.019	-0.900	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@@H]2CO)cc1B(O)O	2317313400	WLCJTNLSGUNWEG-BXKDBHETSA-N	249.075	-0.638	50	10	BBGE	
C#Cc1ccccc1Nc1ncc(B(O)O)cn1	2317639535	MPALDEOWMBAIMG-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
COCCS(=O)(=O)N1CCC(N=C=O)CC1	42809613	IVCOVONTCFMGBW-UHFFFAOYSA-N	248.304	-0.237	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H]1CCCNC1=O	50398464	VAMNRBYOBRDOSW-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)CCCOC[C@H]1CCCO1	82463859	NQDNJUZENVNBAL-MRVPVSSYSA-N	202.254	-0.048	50	10	BBGE	
CCO[C@H]1CCCN([C@@H](C)C(=O)NN)C1	82470904	UFHXFQVBZNESTC-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Sc1cnn(C)c1)C(=O)NN	82473323	BPURSSQFIBHTKA-YFKPBYRVSA-N	200.267	-0.109	50	10	BBGE	
COC(=O)[C@H](C)NS(=O)(=O)CCl	84700537	DOIKSYVHSVBNAZ-BYPYZUCNSA-N	215.658	-0.336	50	10	BBGE	
COCCCN(CCOC)[C@@H](C)CC(=O)NN	104101134	OWHLAIOLDBGCCQ-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@@H](O)CCl)nnc21	163078287	DEPSXHRCUSXCSV-YFKPBYRVSA-N	243.654	-0.875	50	10	BBGE	
CC1(C)Oc2c(B(O)O)cccc2[C@@H]1O	196585835	OUGGVUHBAOIFTI-VIFPVBQESA-N	208.022	-0.429	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1cnc(C#N)n1	212116305	AVLSCSBJQHJMPV-LURJTMIESA-N	208.225	-0.519	50	10	BBGE	
CC(C)Oc1c(C=O)cccc1B(O)O	222790989	KRUOLYUXIIYPFX-UHFFFAOYSA-N	208.022	-0.034	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)CC(F)F	231593142	OIBLDOGOBXWZEB-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
CO[C@H]1CN([C@H](C(=O)NN)C(C)C)C[C@H]1OC	234814374	LIJPGPGLHKYVIE-AEJSXWLSSA-N	245.323	-0.654	50	10	BBGE	
CN1CCC/C1=C(\C#N)C(=O)NC(N)=O	238334323	YUPIOQLESOIEEQ-SREVYHEPSA-N	208.221	-0.315	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCCN2C[C@H]1C)C(=O)NN	251895640	VZFPGRLPOZSSRT-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](CCN)c1ccc2c(c1B(O)O)OCO2	258178015	FIWRWNPCAQFQBE-ZETCQYMHSA-N	237.064	-0.453	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H]1COC(=O)N1	294415312	AWWOHCKASJUMRH-SSDOTTSWSA-N	243.263	-0.322	50	10	BBGE	
CC[C@@H]1CN(C)CCCN1CCC(=O)NN	300356138	YLIHJJHKYSYXMI-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
N[C@@H](CO)c1nnc(CBr)o1	306596943	ZDDGGAQLHQBANJ-VKHMYHEASA-N	222.042	-0.043	50	10	BBGE	
N#CC1=C(N)NS(=O)(=O)N=C1N1CCCC1	309233804	ZJLKOEMXXYKUIQ-UHFFFAOYSA-N	241.276	-0.977	50	10	BBGE	
C[C@H](CN1CCC[S@](=O)CC1)C(=O)NN	321865998	JYPCZQQAZOBGKQ-GLEZIHRCSA-N	233.337	-0.933	50	10	BBGE	
CN(Cc1nncn1C)C[C@H](O)CCl	379499135	HCAQAOMZMBALNW-SSDOTTSWSA-N	218.688	-0.153	50	10	BBGE	
CNCCSC[C@H]1CC[C@@H](C(=O)NN)O1	382646421	KYOKPWUJYPBXDZ-SFYZADRCSA-N	233.337	-0.524	50	10	BBGE	
NNC(=O)c1coc(CN2CCOC2=O)n1	386878173	XYSMKYXWIDVQOV-UHFFFAOYSA-N	226.192	-0.770	50	10	BBGE	
N#Cc1csc2c(B(O)O)cc(CO)cc12	396211631	AKDLLOKLVRSXLF-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(C=O)c2sc(B(O)O)cc2c1	396280126	YFWFLSRQSNQCNW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC(C)(C)[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396471305	BTEYYUVFVACTNJ-MNOVXSKESA-N	237.108	-0.227	50	10	BBGE	
Cn1cncc1COc1ccccc1B(O)O	401775149	COYKZUPLCSEBFY-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)NCc1ccccc1B(O)O	690066718	MUWXWWBUGCLMJC-ONGXEEELSA-N	249.075	-0.983	50	10	BBGE	
CC(=O)N[C@@H](C(=O)NNC(N)=S)C(C)C	704347521	PEBMMWNAVCAVAK-ZCFIWIBFSA-N	232.309	-0.989	50	10	BBGE	
COCCC(=O)N1Cc2ccc(B(O)O)cc2C1	708005926	YLFBSYJZTRASIC-UHFFFAOYSA-N	249.075	-0.755	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](C)C1	708123267	DXDCIZSLWIVNDK-LPEHRKFASA-N	229.324	-0.439	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)C(=O)C1	710097436	VDPAKQHAVAINMD-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
C[C@@H](CN1C[C@H]2CSC[C@H]2C1)C(=O)NN	711525193	JYBSQZODLBFCMP-XHNCKOQMSA-N	229.349	-0.093	50	10	BBGE	
CO[C@H](C)C(=O)N1CCc2cccc(B(O)O)c21	712195209	JFPLLKVZYOPCDY-MRVPVSSYSA-N	249.075	-0.710	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@H](CCO)C1	720086212	GXYWJZQZPKQSCO-HTQZYQBOSA-N	233.337	-0.835	50	10	BBGE	
C[n+]1n[nH]cc1[S@@+]([O])(=O)CCCl	725555959	SPAHXTOTHMUYTI-UHFFFAOYSA-O	210.666	-0.323	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@]1(C)CO	725674134	SOCQVRYQWKXVFM-BHNWBGBOSA-N	221.684	-0.042	50	10	BBGE	
C[n+]1cc(-c2n[nH]cc2[S@+]([O])(=O)Cl)[nH]n1	725710748	ULXNGZHNDVTSCV-OAHLLOKOSA-O	248.675	-0.018	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C	770850526	DXYHJBUNOOQDSC-NTSWFWBYSA-N	217.294	-0.464	50	10	BBGE	
COC(=O)NNC(=O)Nc1cc(OC)n(C)n1	775919097	HDIBJOAGOLIKRY-UHFFFAOYSA-N	243.223	-0.179	50	10	BBGE	
CCN1CC(CN(C)[C@H](C)CC(=O)NN)C1	822036774	JBFSVOHORHCRMW-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	823384689	ROMAXIQJNIRWIX-UUFBCVLASA-N	240.303	-0.246	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2cc[nH]n2)CCCO1	855357254	GDWINMABGJTQMG-SNVBAGLBSA-N	238.247	-0.260	50	10	BBGE	
CSCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1	862449614	RMMJGKISGLUCFO-LURJTMIESA-N	245.304	-0.835	50	10	BBGE	
CNC(=O)NNC(=O)C1(n2cccn2)CC1	930584079	FOIDLAPCJRPAKV-UHFFFAOYSA-N	223.236	-0.668	50	10	BBGE	
O=C(NNc1ncccn1)c1n[nH]cc1[N+](=O)[O-]	1141445270	KZLDMAZZZRAOGX-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
COC(=O)C(=O)NN=Cc1nnc(C)s1	1331821934	RJTPEOGFYFMGSR-UHFFFAOYSA-N	228.233	-0.530	50	10	BBGE	
CC[C@@](C)(OC)C(=O)NNC(=O)c1ncon1	1439773740	MZAUZTQFSRLBPN-SECBINFHSA-N	242.235	-0.354	50	10	BBGE	
COC(=O)NNC(=O)c1ncccc1N	1472476016	DCJWIXZLEHJYPO-UHFFFAOYSA-N	210.193	-0.335	50	10	BBGE	
CCNC(=O)NNC(=O)C[C@H]1COC(=O)C1	1597672160	NTMGXJAQEGVMJU-ZCFIWIBFSA-N	229.236	-0.710	50	10	BBGE	
O=C(CCN1CC[C@H](F)C1)NNC(=O)C1CC1	1623975000	OIFGWSNARASRGQ-VIFPVBQESA-N	243.282	-0.022	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cc[nH]c1	1639382910	CMGNPSDLWYJLHA-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
O=C(CBr)N1CC[C@@H](O)[C@@H](O)C1	1881085075	YJLZSYQKNCCHKX-RITPCOANSA-N	238.081	-0.665	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)NN)CO1	1884474349	OOKZNCXEBULRBP-ZCFIWIBFSA-N	203.242	-0.647	50	10	BBGE	
C[C@@]1(CCl)CN(CC(CO)CO)C1=O	1885364131	IXTXOGQCNJMPIZ-SECBINFHSA-N	221.684	-0.326	50	10	BBGE	
O=C(O)[C@H](Cl)COCCn1cncn1	1886293855	IFOIUCFBJSUSMZ-ZCFIWIBFSA-N	219.628	-0.013	50	10	BBGE	
C[C@@H](CN1CC(F)(C#N)C1)C(=O)NN	1888382182	RQQWORPXNRHFGG-LURJTMIESA-N	200.217	-0.840	50	10	BBGE	
NNC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	1888384888	FDDHVIMBGXFEOT-YTLHQDLWSA-N	203.217	-0.495	50	10	BBGE	
CP1(=O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1895083814	GRIWXIUITXVUKY-DTWKUNHWSA-N	245.263	-0.079	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2CCC(=O)NN	1896280063	PFRVZCGDUDIWCB-UWVGGRQHSA-N	226.324	-0.467	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC[C@]2(C)C1	1898204584	CLQUZGMLHZEEGA-GXSJLCMTSA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(CCC#N)C1	1900606123	AHLPOYALBVNVED-UHFFFAOYSA-N	224.264	-0.611	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H](N)C1CC1	1901377245	LRJLCHAUCNMDED-QMMMGPOBSA-N	249.336	-0.575	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC([S@](C)=O)C1	1901766699	YRLQWUVFTZDNEX-BCTVWOGZSA-N	247.364	-0.402	50	10	BBGE	
CCCN(CCC)NC(=O)CC1(O)CNC1	1901997924	RDKUSCIUDVUIRN-UHFFFAOYSA-N	229.324	-0.136	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1occc1B(O)O	1905063099	KUCLRMIKSNGTKF-OLQVQODUSA-N	227.000	-0.810	50	10	BBGE	
Cn1ncc2c1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1906885804	ASODOALXFJENNH-IONNQARKSA-N	235.291	-0.638	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2C[C@H]2F)cc(B(O)O)c1	1907457127	CRMOWTBCFQVZNC-NXEZZACHSA-N	237.039	-0.029	50	10	BBGE	
N#CC1=CCN(C(=O)C2(N)COC2)CC1	1917048763	MTXFHNKKZPOFLZ-UHFFFAOYSA-N	207.233	-0.604	50	10	BBGE	
CN(C)NC(=O)c1ccnc(C(N)=S)c1	1923029753	DBUSTQOAHNWPJX-UHFFFAOYSA-N	224.289	-0.078	50	10	BBGE	
O=S(=O)(N[C@@H]1COC[C@@H]1Cl)N1CCC1	1929938218	DBZCAIKXHOJNSN-NKWVEPMBSA-N	240.712	-0.467	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@H](F)C1)C(=O)NN	1936026915	RQNKMBBQZWMYAE-SFYZADRCSA-N	233.287	-0.593	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)O1	1936093006	ZRJFCICOBFWDDG-NKWVEPMBSA-N	227.264	-0.157	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSCC(=O)NC1CC1	1936093775	HIDAIZKJDCNPMX-XPUUQOCRSA-N	243.332	-0.376	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2COCC[C@@H]21	1936282149	CWXCWDFVZXJRGO-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)CCO1	1938247324	RLTQAAWVKHJZQR-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(F)(F)F	1938717301	UIKZFAXASGLTSQ-CRCLSJGQSA-N	239.197	-0.177	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941088407	QDLAJEGHFMUSHJ-LXUNUROVSA-N	239.319	-0.685	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)N1C	1941089677	KWSCEKHFSXDXBF-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
COCCOCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1941094964	QGWNUAWADUUNRY-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN(CCCC(=O)NN)C[C@H]21	1944580182	MTFOQQANJCIBQB-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc(OC)cc1OC	1944779826	JIPYGEWIRKLCDG-ZCFIWIBFSA-N	244.251	-0.922	50	10	BBGE	
CCN(C)[C@H]1CCN([C@@H](COC)C(=O)NN)C1	1948374915	OWQHGGQTVYDTNV-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@@H](N)[C@H](O)C#N	1952950820	PACVQAZJIOBJNB-RITPCOANSA-N	211.181	-0.787	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(CCF)C1	1958352587	KZWAYMBPNYRVGJ-BDAKNGLRSA-N	215.272	-0.096	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(CCC(=O)NN)C1	1958494964	OWHQITNNSCRRMK-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]1C	1959198636	VMNFCZNTMWURIE-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]3C2)nc1	1961691496	PDLQDHCPEQPMOH-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
CSCCSc1ncnc(C)c1B(O)O	1961705874	JYIIIBZSDXZCJI-UHFFFAOYSA-N	244.150	-0.080	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)C1CC1	1961717510	BGAFKOMFZLJEPQ-UHFFFAOYSA-N	210.017	-0.501	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H](CF)C2)n1	1961718771	TVLPWFZYZUGCIP-LURJTMIESA-N	230.073	-0.381	50	10	BBGE	
C[C@H](COCC(=O)O)NC(=O)NN(C)C	1962129186	BJTUJYZHBZYKTG-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
CCCOC[C@H]1CCCN1C(=O)C(=O)NN	1976170500	RVQSCYAYNNSWDX-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC2(CC2)C1	1980204764	HDKTXLAPESVJIQ-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)CC[S@@]1=O	1981188922	SGGOPYYFDUUQJL-ABKXIKBNSA-N	247.364	-0.401	50	10	BBGE	
C[C@@H]1CC(=O)N(CCC(F)(F)C(=O)NN)C1	1984128716	SQZLBXIUKLBJGS-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cnc(C(=O)NN)s1	1985739617	FAFUTGJLMZAGPB-FSPLSTOPSA-N	242.304	-0.688	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	1985791183	WHNMHYUEMBMEFF-CSMHCCOUSA-N	248.710	-0.302	50	10	BBGE	
CS(=O)(=O)c1ccccc1OCC(=O)NN	1985824923	IBNJWLXRPAUPPJ-UHFFFAOYSA-N	244.272	-0.541	50	10	BBGE	
CCC[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	1986908188	FYIKNRGASVYQDS-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC(F)(F)C(=O)NN	1990039775	VCMMFOWYONSUEM-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
C=CC1(O)CCN([C@@H](C)CC(=O)NN)CC1	1990545945	RWKXJOWTGVUPNZ-VIFPVBQESA-N	227.308	-0.232	50	10	BBGE	
COC1(CCN)CN(C(=O)C=CC(=O)Cl)C1	1991651475	UDPPMGYOLJDGRR-UHFFFAOYSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]2[C@H]1CCl	1992526084	CMVHXCJJRDPXKG-XLPZGREQSA-N	241.682	-0.241	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1CCCC1	1996647464	MXKKEJPIAVWDGO-UHFFFAOYSA-N	235.052	-0.611	50	10	BBGE	
CC(C)(C)[C@H]1OCCC[C@H]1NC(=O)C(=O)NN	1997658882	GJMNTOAAPCEVEH-SFYZADRCSA-N	243.307	-0.314	50	10	BBGE	
CN(C(=O)N[C@H](CB(O)O)C(=O)O)C1CCC1	1998131357	UOUYIBIGLPCSQN-SSDOTTSWSA-N	244.056	-0.894	50	10	BBGE	
Cc1ccc(NC(=O)N2CCC2)c(B(O)O)c1	1998340058	LRFFTHMUBSMRKL-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@H](C1)C2O)C(=O)NN	2002477668	MSHURXOQARZNNW-ULKQDVFKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CN1CCO[C@@]2(CCOC2)C1)C(=O)NN	2002821799	DRWKRGLTAAOXIT-ONGXEEELSA-N	243.307	-0.896	50	10	BBGE	
Cc1nnc2n1CCN([C@H](C)CC(=O)NN)C2	2003921394	DJFZBSCTNSVPLQ-SSDOTTSWSA-N	238.295	-0.829	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@@H]2CF)O1	2004489684	XSABBTPUGXLOJI-UTLUCORTSA-N	245.298	-0.042	50	10	BBGE	
OB(O)c1cncnc1N(CC1CC1)C1CC1	2004920821	ODPQESWOXZYGKR-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC2(C)C)c1B(O)O	2004974634	NGADFYUEBJVLIT-MRVPVSSYSA-N	235.096	-0.300	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@]1(C)COCCO1	2005978257	RVBOADVPXSUDLW-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC2(CC1)COC2	2008334571	QSSZENVLSFBPKK-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
CN(C)CCCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	2008548891	UOJPKUYPTVSDSK-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008974686	HXJHYODHODIQNZ-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CN1CCC(C2(O)CC2)CC1)C(=O)NN	2013926800	MTWVIJVXYZBADR-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](O[C@H]1CN2CCC1CC2)C(=O)NN	2021067968	LGFGGYJJEDUXKS-UWVGGRQHSA-N	243.307	-0.898	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(CC2CC2)C1	2021110405	NONUPNOSFUUSCK-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3CC[C@H]32)n1	2052625306	LAMOENYZBWFISW-NXEZZACHSA-N	247.107	-0.238	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1C=O	2060268073	GLQSMXYCGCGXCN-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
Cc1cc(NC(=O)c2ccccc2B(O)O)on1	2079008490	KGDNULZFVVNSBL-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NNC(=O)C(=O)N[C@@]1(C2CC2)CCCOC1	2212245058	KQDUNCVGCMPZBX-JTQLQIEISA-N	227.264	-0.948	50	10	BBGE	
Cc1cnc(S[C@@H]2CCOC2)cc1B(O)O	2212599879	PAEKESUEOPUMKC-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
C#C[C@H](Nc1ncccc1B(O)O)C1CC1	2212600569	DKZZCDLZKIGCIB-JTQLQIEISA-N	216.049	-0.415	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1ccc(B(O)O)cn1	2212604672	YPFBFTJDPJLBPT-HTQZYQBOSA-N	224.069	-0.667	50	10	BBGE	
CC[C@H](COC)Nc1cc(B(O)O)ccn1	2212606598	WRUZTWUQUYESDE-SECBINFHSA-N	224.069	-0.402	50	10	BBGE	
C=CC[C@H](N)COc1cc(B(O)O)ccn1	2212609104	ZJWHVXHEFWIPOA-VIFPVBQESA-N	222.053	-0.956	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2CC1(C(=O)NN)CC1	2213356598	RGFPYWIDZPJODZ-KKZNHRDASA-N	239.319	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954763	KWBRNZBDKRMKRI-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	2216703016	FGSRSTNURAGIFC-INTQDDNPSA-N	241.335	-0.437	50	10	BBGE	
Cc1cc(C)n(-c2cc(B(O)O)c(C)cn2)n1	2217164580	UFQQRWWONLEORO-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
C[C@]1(CNc2ncc(B(O)O)cn2)CC1(F)F	2217183099	FNZJBHRWQCNSCL-MRVPVSSYSA-N	243.022	-0.386	50	10	BBGE	
Cc1cnc(N[C@@H](CN)C2CC2)cc1B(O)O	2217183659	JYSYWVLKFXXCSK-JTQLQIEISA-N	235.096	-0.781	50	10	BBGE	
C[C@H]1COCC[C@@H]1Nc1ccc(B(O)O)cn1	2217196205	QODUQJPDBVWKMG-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCOC[C@@H]2F)nc1	2217199542	DDSWNWIZMPNTDA-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1c1cc(B(O)O)ccn1	2217204865	PYCCYENMQNZJJW-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1Cc1cccc(B(O)O)c1	2220072661	MJBDHRVSGUHWOW-ZWNOBZJWSA-N	248.135	-0.322	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCO[C@H]2C2CC2)nc1	2223646851	QDNKYMANWICOFQ-UWVGGRQHSA-N	249.079	-0.864	50	10	BBGE	
CC1(Oc2cc(B(O)O)ccn2)CC2(CNC2)C1	2223661240	ITBZYJBMFAYESS-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H](Cn1ccnc1)Nc1ccc(B(O)O)cn1	2223667137	QFNBFQQIFFBVHN-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCCNCC1	2223679941	WNOWHVIMIWMYEB-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C[C@@H]1SCC[C@@H]1NC(=O)C#CB(O)O	2241476705	XZVRPJJIQUGJSF-BQBZGAKWSA-N	213.067	-0.988	50	10	BBGE	
OB(O)c1cc(F)ccc1COCF	2242481522	JNPKRVCYCFMJIV-UHFFFAOYSA-N	201.965	-0.051	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC(CF)C1	2243346829	DICSHIWNIFJDKL-UHFFFAOYSA-N	243.068	-0.531	50	10	BBGE	
C[C@@H](COC(F)F)NC(=O)C1(B(O)O)CC1	2243359614	UYYSULVZDCXUGE-YFKPBYRVSA-N	237.011	-0.263	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ncccc1B(O)O	2243374564	GXCAHVFDMZFXTA-ZETCQYMHSA-N	220.037	-0.934	50	10	BBGE	
C[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243380940	ASRKOAHLLIEKNE-XAVMHZPKSA-N	229.085	-0.628	50	10	BBGE	
CN(C(=O)c1sncc1B(O)O)C1CCC1	2243386342	YLGSUNBOSWVXDF-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C=CCN(C(=O)C#CB(O)O)C1CCCC1	2243398665	GNXMAROHFDCQFM-UHFFFAOYSA-N	221.065	-0.041	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@@H]1CCOC1	2243401372	QEPAOYXTMWGROF-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CC(C)(C)ONC(=O)c1csnc1B(O)O	2243412659	QWGRSCCZNSRJFR-UHFFFAOYSA-N	244.081	-0.717	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2243416193	IJNQQVYBRSSAKG-LURQLKTLSA-N	227.069	-0.874	50	10	BBGE	
NCC1(CCNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243420033	LENLXJWFWFPKNR-YUMQZZPRSA-N	226.085	-0.906	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1CC12CC2)B(O)O	2243432908	FUPULOWIWHKDNW-QMMMGPOBSA-N	245.109	-0.726	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2COC[C@H]1C2	2244493666	XFWPGQDBMKLMJE-QEYWKRMJSA-N	225.292	-0.667	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1coc(B(O)O)c1	2247734592	SXBBGSYUCPXABB-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
CC[C@]1(C)OCCC[C@@H]1NC(=O)C#CB(O)O	2247740455	KWBDMANGSVMDDJ-ONGXEEELSA-N	239.080	-0.534	50	10	BBGE	
O=C(N(C1CCC1)C1CNC1)C1(B(O)O)CC1	2247751400	XFCVJYFDDBBBSX-UHFFFAOYSA-N	238.096	-0.654	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)C1(B(O)O)CC1	2247754360	FYJKVISGRUMVPZ-DJLDLDEBSA-N	239.080	-0.371	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C(=O)C1(B(O)O)CC1	2247757093	OJRRAXQIYVTQCK-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]2C1	2247784995	DRTDPBJPVAUHCY-CIQUZCHMSA-N	239.080	-0.921	50	10	BBGE	
Cn1cncc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790852	JXXBWZSOUKPRKA-OCAPTIKFSA-N	237.068	-0.711	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2247791608	NPURMXXSVJRISV-BWZBUEFSSA-N	243.068	-0.837	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](NC(=O)C#CB(O)O)[C@H]1C2	2247846990	PSEBWUGRHGEXAZ-IVZWLZJFSA-N	235.092	-0.057	50	10	BBGE	
CCCO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247852216	QLBBORGFIHGSFO-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1CC[C@H]2O)C1(B(O)O)CC1	2247853088	GGCWKYMYFALFNO-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
NC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCCC1	2247854775	IGCWJVNMRUCBNK-UTLUCORTSA-N	240.112	-0.517	50	10	BBGE	
COCCN(CCF)C(=O)[C@H]1C[C@H](B(O)O)C1	2247859062	KAVDLNCYMZTNTF-KYZUINATSA-N	247.075	-0.316	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)C(=O)C1(B(O)O)CC1	2247870356	IRKNHNRYJWMOCO-IWSPIJDZSA-N	239.080	-0.513	50	10	BBGE	
NC[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247879018	PBTXTTUZPNQQBK-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
O=C(O)[C@@H](CCF)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586384	AEFWSIOJDAMBKN-DSYKOEDSSA-N	247.031	-0.832	50	10	BBGE	
CC(C)(CNC(=O)C1(B(O)O)CC1)CC(=O)O	2248588045	YHJMDAZLRGMIJJ-UHFFFAOYSA-N	243.068	-0.390	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@H]2N)cc1B(O)O	2250300059	RTPOXEJUKGVSST-WCBMZHEXSA-N	235.096	-0.781	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ncc(C)cc1B(O)O	2255559890	OUBHWWOGKYQHJZ-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
C=C(C)CNC(=O)c1c(OC)cccc1B(O)O	2255566086	NXKXUKGTQAWGNX-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(CCCO)c1	2255675405	ALMUSCQNCAFDGN-UHFFFAOYSA-N	247.059	-0.435	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)NC1[C@H]2CC[C@H]12	2255893190	OOMYMUNSGWNQTF-UWVGGRQHSA-N	246.075	-0.104	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1cc(B(O)O)c[nH]1	2257039920	AZDGZJRRSUWJBT-APPZFPTMSA-N	248.091	-0.435	50	10	BBGE	
CN(C)[C@@H]1CN(S(=O)(=O)CCl)C[C@@H]1O	2296895292	UDIPSJJMIXPIBL-RQJHMYQMSA-N	242.728	-0.881	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1[C@@H]2CCO[C@@H]21	2297038824	REVSUBZUGSDUNY-ZLUOBGJFSA-N	211.670	-0.111	50	10	BBGE	
CC(C)[C@@H](C)[C@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375363	HCDBDVKAUWHWMT-DOLQZWNJSA-N	242.128	-0.415	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC2CC1(CO)C2	2299796955	SXPBDZXPAJETQB-GHHKWEBWSA-N	241.335	-0.152	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)N1CC[C@H](B(O)O)C1	2303113866	GTFMONAWGFRQOV-QMMMGPOBSA-N	237.068	-0.285	50	10	BBGE	
CC[C@](C)(CN1CCNC(=O)CC1)C(=O)NN	2303424517	SDJHIOUNEIDLHS-LLVKDONJSA-N	242.323	-0.786	50	10	BBGE	
CC[C@](C)(Cn1ccnc(C)c1=O)C(=O)NN	2303434592	MINCCYOXPUDNHF-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC[C@@H]1CCO1	2317152598	DGVDHXZFXLRJTG-LLVKDONJSA-N	246.075	-0.171	50	10	BBGE	
NC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	2209212	ODECUMYAQINPTO-IMJSIDKUSA-N	228.726	-0.776	50	10	BBGE	
CCCNC(=O)CNC(=O)NC(=O)CCCl	36781343	ZLIPFIUDZWCZPM-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)NC(=O)[C@H](C)Cl	42576070	DPSSXESLDDXMAM-WHFBIAKZSA-N	235.671	-0.426	50	10	BBGE	
CCC(CC)N(CCO)[C@H](C)C(=O)NN	82470339	IQAUOPCAVFIZAI-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1CCC(=O)NN	82470486	IFXZAJJGFUJXCI-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)c1cc(CSCCO)on1	82472506	TUGULYKXEOXIEY-UHFFFAOYSA-N	217.250	-0.496	50	10	BBGE	
O=C(OC(=O)[C@H]1CCCN1)[C@H]1CCCN1	85808931	FHGPXMBHNURJJW-HTQZYQBOSA-N	212.249	-0.440	50	10	BBGE	
CNCCCN(C)[C@@H](C)CC(=O)NN	87472896	SMKIERRSCRDJAQ-QMMMGPOBSA-N	202.302	-0.704	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H](CO)C1	88093837	QJNDYIZTOUWLAT-ZCFIWIBFSA-N	229.685	-0.794	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H](O)C2)c1	104121632	IYZFVJDOORNLKI-VIFPVBQESA-N	239.275	-0.160	50	10	BBGE	
CC(C)[C@H](C(=O)NN(C)C)/C(N)=N/O	149701953	FEWUUQHDPCIRBV-LURJTMIESA-N	202.258	-0.402	50	10	BBGE	
OB(O)c1cncc(OCc2cccnc2)c1	203524109	MYNGOEPTBULQET-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CCN(/C=C(/C#N)C(=O)NCCOC)CCO	216553240	LWFHSYLBDUMWHZ-KTKRTIGZSA-N	241.291	-0.529	50	10	BBGE	
C[C@@H](CN(C)CCCCCO)C(=O)NN	227147785	CTOBRQRIQWMAQO-VIFPVBQESA-N	217.313	-0.293	50	10	BBGE	
CC(CO)(CO)NC(=O)NCCCl	238203179	HCCMAICKMIBIQV-UHFFFAOYSA-N	210.661	-0.732	50	10	BBGE	
COC(=O)Cc1ccc(B(O)O)cc1C	238389782	AHHUQPBWRDBFKU-UHFFFAOYSA-N	208.022	-0.610	50	10	BBGE	
OB(O)c1cnc(NC2CCCC2)nc1	238653435	QAJIZSNRZGZGTM-UHFFFAOYSA-N	207.042	-0.489	50	10	BBGE	
OB(O)c1ncc(-c2ccccc2)cn1	238658622	QNSSMVDHGGUHBZ-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H]1CCO	304475258	BCGSLAJAYPAKQT-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CCC[C@@H]1C	309113045	KIABTWMHLQVODJ-IONNQARKSA-N	213.281	-0.068	50	10	BBGE	
Cc1ccc(CN2CCCOCC2)cc1B(O)O	313754266	YHVBYHLYLWXWKH-UHFFFAOYSA-N	249.119	-0.103	50	10	BBGE	
COCCN1CCC(=NNC(N)=O)C1	328451845	DHSTZCRIBJSUOR-UHFFFAOYSA-N	200.242	-0.637	50	10	BBGE	
N[C@@]1(C(=O)O)CC[C@@H](CCCB(O)O)C1	389738281	VCCFMKDTGKJZGE-APPZFPTMSA-N	215.058	-0.178	50	10	BBGE	
CCCN(CCC(C)(C)C(=O)NN)CC(N)=O	395621907	WRMDZVKHFLRHPQ-UHFFFAOYSA-N	244.339	-0.410	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@H]1CCOC1	398920173	LEPPFAMNGVTUQV-LLVKDONJSA-N	249.119	-0.165	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1CCCC(=O)NN	402781766	NYOJANHGUDMAHS-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CCC[S@](=O)NCc1cc(B(O)O)cs1	404945769	SHBJMBAEUVJNOS-HNNXBMFYSA-N	247.150	-0.409	50	10	BBGE	
C[C@]1(C(=O)Nc2cc(B(O)O)ccn2)C[C@H]1F	404979315	MLLLRRUOTIVFCH-XCBNKYQSSA-N	238.027	-0.552	50	10	BBGE	
CC1CN(C(=O)c2ccc(B(O)O)cc2)C1	584981561	DFPXMYHCDIFSTM-UHFFFAOYSA-N	219.049	-0.542	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1N(C)CCC(=O)NN	688168858	GGKGKHBBYPFQKC-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H](O)C2)cs1	689557628	QRYBWPZXSVBPDY-QMMMGPOBSA-N	241.316	-0.082	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)C(C)(C)C	691102933	STWMZXIFXFHXAF-UHFFFAOYSA-N	231.296	-0.754	50	10	BBGE	
OB(O)c1ccn(Cc2ccc(F)c(F)c2)n1	694308734	NAGIDWQAXQBKLK-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC(CO)(CO)C1	694660256	XRXGSAIKJZOYHM-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H](O)[C@@H](C)O	717357795	XFWFBJQMPUYEMQ-FSDSQADBSA-N	209.673	-0.281	50	10	BBGE	
CN(C[C@H]1CCCCS1)C(=O)C(=O)NN	718295273	QHLJZSHGKKEQDP-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(n2cc(CN)nn2)C1	722379724	KDUYFNXUCCFPGZ-ZCFIWIBFSA-N	243.698	-0.253	50	10	BBGE	
C[C@]1(CO)CCCN1CCCC(=O)NN	723001273	WMACEZLYDZQVKD-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
C=CCOCc1nsc(C(=O)NN)n1	724346532	ZCHYOJRWLHJEMJ-UHFFFAOYSA-N	214.250	-0.156	50	10	BBGE	
C[C@H](Cl)CN(C)c1ncnc2c1=NCN=2	725550589	GXRCJQUGKAOSIN-LURJTMIESA-N	225.683	-0.250	50	10	BBGE	
CCC/C=C/C(=O)NNC(=O)c1cnn[nH]1	729456436	LKGJBFYCCLDGKY-SNAWJCMRSA-N	223.236	-0.078	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCCC12OCCO2	773848682	PAZIZAXGDXCPFD-ZETCQYMHSA-N	243.263	-0.510	50	10	BBGE	
CC[C@H](N)CC(=O)N1CCC(O)(C#N)CC1	821980449	GFGXJWKBZBVZEH-VIFPVBQESA-N	225.292	-0.009	50	10	BBGE	
CC[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CO1	863151069	GXMFGVQFIBAATQ-DTWKUNHWSA-N	239.275	-0.064	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NCC	900385996	IIZGTGSFJICJNC-MXTDHUQFSA-N	201.226	-0.726	50	10	BBGE	
Cc1cnn(C)c1C(=O)NN(C)C(N)=O	1137623458	FRGJKJNVOLZTEG-UHFFFAOYSA-N	211.225	-0.616	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)n[nH]1	1329214570	HOSSZYQOFMGPCN-SSDOTTSWSA-N	223.041	-0.593	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)COCCOC	1454550085	VRUKNYDOWKCTCP-SNAWJCMRSA-N	242.275	-0.071	50	10	BBGE	
CN(NC(=O)C1(N(C)C)CCCC1)C(N)=O	1466167465	IDKKHTVMOCERDS-UHFFFAOYSA-N	228.296	-0.098	50	10	BBGE	
CO[C@H](C)CCC(=O)NNC(=O)c1ncon1	1536937324	GYLBOGBBZNEEBD-ZCFIWIBFSA-N	242.235	-0.354	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NNC(=O)NCC	1631194115	UMWCETKDXICVJA-UHFFFAOYSA-N	243.263	-0.154	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NN(C)[C@@H](C)CO	1639064362	LHZNFQCWBGQYFO-YUMQZZPRSA-N	246.311	-0.977	50	10	BBGE	
NNC(=O)Cc1csc(NC=O)n1	1882243410	BZVHZLOCTUYNSD-UHFFFAOYSA-N	200.223	-0.756	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N(CCO)CCO	1883634288	ILSYEDFSMVDVOZ-RQJHMYQMSA-N	207.657	-0.573	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CCCl)C[C@@H]2O1	1884556623	VKFUZTUJUQELHD-RITPCOANSA-N	218.640	-0.066	50	10	BBGE	
CCN(CCF)[C@H](COC)C(=O)NN	1886422954	GJSQALAURIDJGX-SSDOTTSWSA-N	207.249	-0.717	50	10	BBGE	
CS[C@H]1C[C@H](C(=O)NNC(N)=S)C1	1886769071	DHKAUITWRPACKJ-URHBZAFASA-N	219.335	-0.008	50	10	BBGE	
C[C@@H](CCl)C(=O)NN(C)S(C)(=O)=O	1888561619	GQWCICVFHHTTBQ-YFKPBYRVSA-N	228.701	-0.216	50	10	BBGE	
CC[C@@H](O)C(=O)NN(C)S(=O)(=O)CC	1888676533	JWXKMDBEFISBRE-ZCFIWIBFSA-N	224.282	-0.930	50	10	BBGE	
O=C1NCCN(C(=O)F)[C@@H]1C1CNC1	1893414846	GCJQHSPYGOSCFX-ZCFIWIBFSA-N	201.201	-0.904	50	10	BBGE	
COC[C@@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893460390	FGZFLMWRKPJGDA-HSUXUTPPSA-N	221.640	-0.171	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2Cl)C1	1893461915	UKZREFGQSBEHSI-XUTVFYLZSA-N	218.684	-0.595	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NCC1CC(Cl)C1	1893508962	HPLKXIZCWITQPO-UMULYZNJSA-N	220.700	-0.172	50	10	BBGE	
NCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H]1Cl	1893660862	DOTHQTPCKKPQOY-WDSKDSINSA-N	214.656	-0.144	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC2(CC2)C1	1894992017	VCDXIMVWTBRXME-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCOCC1	1897511430	VLSFUHKANXWIHN-JGVFFNPUSA-N	227.264	-0.251	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1C[C@@H]1C[C@@H]1Cl	1899711204	ZUVBJMKIGXAQDV-ABXGFROZSA-N	221.684	-0.988	50	10	BBGE	
CN(NC(=O)/C=C\CN)S(=O)(=O)C1CCC1	1901342362	KKXDRSAZLUYHMM-UTCJRWHESA-N	247.320	-0.653	50	10	BBGE	
CN(Cc1nscc1B(O)O)C[C@H]1CCO1	1902003282	JUJCMUOJOPLSOE-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)Cc1nc(B(O)O)cs1	1902639779	VNYYBOFWIUTRIF-JGVFFNPUSA-N	240.137	-0.089	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	1904703627	FUIMYMLHUFUZQZ-XHNCKOQMSA-N	228.101	-0.742	50	10	BBGE	
C=CC1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1909963627	SLPXUKCDERSWPO-VHSXEESVSA-N	239.319	-0.375	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CCO)C1COC1	1915546331	VNBNTRYLESQKNS-SNVBAGLBSA-N	245.323	-0.916	50	10	BBGE	
CCN(C1COC1)[C@@H](C)CC(=O)NN	1915655372	CBUDXNLAPYUQNM-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)CC2(CC2)C1	1926419100	FNDOBFRQXNLKJU-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
COc1cnn(CC(F)(F)C(=O)NN)c1	1927816941	UUVHNYJDOPLQML-UHFFFAOYSA-N	220.179	-0.483	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@H]2C1	1927918563	UZFIDIVEAZPQQV-AXTSPUMRSA-N	209.293	-0.046	50	10	BBGE	
O=C(OCCl)N1CCOC[C@@H]1[C@@H](O)CO	1928573532	KNSMVFFVLBDVJK-RQJHMYQMSA-N	239.655	-0.627	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COC[C@@H]1CCl	1928749382	SKICEDQFHSDOEA-NTSWFWBYSA-N	213.686	-0.211	50	10	BBGE	
O=C(CBr)N[C@H](CO)CCCO	1928816808	JUOFWKFGNXKEQP-LURJTMIESA-N	240.097	-0.369	50	10	BBGE	
O=C(NCCn1cnnn1)OCCl	1928860846	UYOHPMVLFOIPMP-UHFFFAOYSA-N	205.605	-0.404	50	10	BBGE	
CCCN(CCCO)C[C@@H](C)C(=O)NN	1930056689	PHELXVGZZYUVCP-SECBINFHSA-N	217.313	-0.293	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)S1	1931585686	RQHOIIDEUVYNAD-BQBZGAKWSA-N	231.321	-0.281	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NN	1932477046	CLTRDRZIHGIMEU-RNFRBKRXSA-N	235.309	-0.485	50	10	BBGE	
Cn1ncc([C@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934429116	XBIZJAVBWSWOEA-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
CC(=O)N(C)Cc1sc(B(O)O)cc1C	1935214762	XKZALHWYOPXARH-UHFFFAOYSA-N	227.094	-0.285	50	10	BBGE	
CC1(CCl)CN(C(=O)Cn2cnnn2)C1	1935347418	DGCALURIZYZJIO-UHFFFAOYSA-N	229.671	-0.240	50	10	BBGE	
CC(C)(C)N(CCO)CC(F)(F)C(=O)NN	1935943103	ADNKPOQOGZHAFC-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
COCC1(N(C)C[C@@H]2C[C@@H]2C(=O)NN)CC1	1936095208	VAXBCOOLENATCX-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCOCCN(CC)C[C@@H]1C[C@@H]1C(=O)NN	1936095363	WLISKCJRRNHVQP-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CCON(C)Cc1ccc(F)c(B(O)O)c1	1937140768	JSCKWUXDYJGLOE-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCn1cnnn1	1937284870	VPMVXHLCGHUJHN-RXMQYKEDSA-N	246.658	-0.874	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937461811	WRMKVSUANHMJTG-MYJAWHEDSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)C(=O)NCc1cnoc1C1CC1	1937781280	CFMVXXXOQDWSMK-UHFFFAOYSA-N	224.220	-0.842	50	10	BBGE	
C#CCN(CCCl)C(=O)CCn1cnnn1	1939272528	YOLMETMFQFMFRA-UHFFFAOYSA-N	241.682	-0.236	50	10	BBGE	
CN(C)C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941070282	ASXXZGMNXJRHRF-HBNTYKKESA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCCO)C1CCC1	1941095663	ZOHPHNHDAVDMCU-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC(C)(C)CC1	1943968436	IYZARAMQCINQBU-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@@]1(O)CCN([C@H](C(=O)NN)C(C)C)C1	1946479889	XUXASEVNABLIRB-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(CCCCC(=O)NN)C2=O	1946986543	BIFGWKGMIURCMH-HQJQHLMTSA-N	239.275	-0.458	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@]12CC[C@@H]1C2	1951281676	ZEXCKNUBXORFIR-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
COC[C@H](C)Oc1nc(B(O)O)cs1	1956953472	AYRBZSQBIZYWIA-YFKPBYRVSA-N	217.055	-0.763	50	10	BBGE	
CC1(C)CC(=O)N1CC(F)(F)C(=O)NN	1958182401	FTGQBZUTVQPDQF-UHFFFAOYSA-N	221.207	-0.378	50	10	BBGE	
O=C(CCCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1958775759	WBTALRBPQQNYAP-MFDQJXRNSA-N	233.695	-0.042	50	10	BBGE	
Cc1cnc(N(C)CCF)c(B(O)O)c1	1961718706	SDYWRQPXXVAHKT-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
CO[C@H]1CC(CNC(=O)NN)C[C@@H]1OC	1962378965	WWPRMJPHPIJMSO-YUMQZZPRSA-N	217.269	-0.401	50	10	BBGE	
O=C([C@@H]1CCCOC1)N1CCC(B(O)O)CC1	1964499889	DCWWBNACILGXNZ-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1	1970062129	CQHPBZKMSVFAHB-SECBINFHSA-N	231.060	-0.492	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1CCC(=O)NN	1980853997	GPQCRXSGMKXGCW-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@H]32)ccc1B(O)O	1981469096	MRJASNUGFAXWBG-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC[C@@H]2O)C1	1984543663	VVWSQXZNDFFKOL-HLTSFMKQSA-N	225.292	-0.931	50	10	BBGE	
N#CC1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1985358358	YRLDXBKLFWTBRB-SCZZXKLOSA-N	222.292	-0.152	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cnsc1C(=O)NN	1985742952	NLPBRHQJFBXBRB-FSPLSTOPSA-N	242.304	-0.688	50	10	BBGE	
CC(C)n1ncnc1CN(C)CC(=O)NN	1990997582	JBKMBFCNTKVGQN-UHFFFAOYSA-N	226.284	-0.719	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1(CO)CCNCC1	1991663338	UEAHXNPBHKLCCW-UHFFFAOYSA-N	246.694	-0.461	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1Cl	1991679666	LYKJKYAQYPPUQA-RNJXMRFFSA-N	245.710	-0.840	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCn2ncc(O)c2C1	2002892456	GKAYGZRSKBGAET-SSDOTTSWSA-N	239.279	-0.827	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@]1(C)CO	2003268013	LWZWAYKDZGQJAR-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
CC(C)N1CCN(CCCC(=O)NN)CC1=O	2004024144	RGPJJTJOHKWPBP-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
CN(c1ncncc1B(O)O)C1[C@H]2CCC[C@H]12	2004911350	FVGHCIQYJYEBDT-YUMQZZPRSA-N	233.080	-0.609	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1C[C@@H]1F	2006986531	DTVSMCHGLZHLHN-WPRPVWTQSA-N	237.039	-0.659	50	10	BBGE	
N#Cc1cncc(OC[C@@H]2C[C@@H]2C(=O)NN)c1	2007700679	KZEYAXAUVDMODZ-WPRPVWTQSA-N	232.243	-0.042	50	10	BBGE	
CN(Cc1cncnc1)C[C@H]1C[C@H]1C(=O)NN	2009050586	PRMMLPASLQFULM-NXEZZACHSA-N	235.291	-0.466	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@@H]1F	2013727026	DIZQDHPQVQUTBA-DJLDLDEBSA-N	249.286	-0.950	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](CO)C12CC2	2016079253	GAOISDHHBBOSLW-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OC(C)(C)C1	2019214433	ZFTHDORJXJHLQK-MRVPVSSYSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CC=CCO2)C1	2019214575	ZXNSLXRVERNHJT-UHFFFAOYSA-N	239.275	-0.815	50	10	BBGE	
C=C(CN(C)Cc1cnn(C)c1CC)B(O)O	2021163777	YHOHHOFAKZUCQI-UHFFFAOYSA-N	237.112	-0.018	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1cc(B(O)O)ccc1F	2022200264	QPSPVYKQQXOUGZ-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(c1ncccc1B(O)O)C2	2052493160	YIJRDWBWCUZHLE-AOOOYVTPSA-N	247.107	-0.956	50	10	BBGE	
CN(C)C[C@@H]1CCN(c2ccncc2B(O)O)C1	2052493911	ZHHOBZSLBMDDOK-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@@H]1C=CCCC1	2055729364	XLPVMNNELILPLH-MRVPVSSYSA-N	244.063	-0.213	50	10	BBGE	
Cc1nn(C)c(OCC2CC2)c1B(O)O	2059911799	NZTASSZASRVYIX-UHFFFAOYSA-N	210.042	-0.803	50	10	BBGE	
Cn1cn[nH]c1=NC[C@H]1COC[C@@H]1Cl	2209806287	RAUZZDZKZBAIJL-BQBZGAKWSA-N	216.672	-0.097	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@@]1(C)CO	2211782456	PDCMHOKSEHAWLQ-KOLCDFICSA-N	227.308	-0.376	50	10	BBGE	
C#C[C@H]1CCCN1c1ncccc1B(O)O	2212603510	OZLXFSUQKTYUBO-VIFPVBQESA-N	216.049	-0.637	50	10	BBGE	
CCN(C)CCOc1ncccc1B(O)O	2212604329	ODCOTOYJOIPXKP-UHFFFAOYSA-N	224.069	-0.908	50	10	BBGE	
CC1(C)C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2212611520	AJUDFKRGYNUDBM-SSDOTTSWSA-N	221.069	-0.964	50	10	BBGE	
CCC[C@H](CN)Oc1cc(B(O)O)ccn1	2212611609	CKHJLRIJBCVPIM-SECBINFHSA-N	224.069	-0.732	50	10	BBGE	
C#CCN(CC=C)Cc1cccc(B(O)O)c1	2214593427	SUYLKDBQHBMPOD-UHFFFAOYSA-N	229.088	-0.012	50	10	BBGE	
OB(O)c1cncnc1S[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2216434884	PHPIXEWGRYCZJN-OYSVPNSUSA-N	248.116	-0.097	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C[C@@H]3C[C@@H]3C2)n1	2216577759	SJFLZMXHTUSDQT-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
COC[C@]12CN([C@H](C)C(=O)NN)C[C@H]1CCO2	2217059625	MDIUYRCDYIVQRV-FXPVBKGRSA-N	243.307	-0.898	50	10	BBGE	
CC(C)OC(=O)CNc1ncccc1B(O)O	2217195226	HJIVJFFQYPMYKJ-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CNC[C@H](CNc2cc(B(O)O)ccn2)C1	2223626928	KJMBLRSIZIIZJC-VHSXEESVSA-N	249.123	-0.581	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN3CCC[C@H]23)nc1	2223637780	HBKAGLWWAAGUPB-GHMZBOCLSA-N	247.107	-0.590	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@@H]2C)cc1B(O)O	2223648286	JMEWTWQKJDJTEV-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@@]12COc1ncccc1B(O)O	2223651062	UQTMOHGEYDYBNU-UISBYWKRSA-N	248.091	-0.732	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@]12CCNC2	2223670171	UHNIQAMZZDUPJE-LBPRGKRZSA-N	247.107	-0.906	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1Nc1ncccc1B(O)O	2223675292	VBJBICHLYBQJPG-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
CO[C@]12CC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223678767	HSLKGDGNYNGXBM-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
COC1(C(=O)NNC(N)=S)CC(C)C1	2241404237	WZCIPDDRSQBVKM-UHFFFAOYSA-N	217.294	-0.334	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)[C@H]1C[C@H]1B(O)O	2241495332	ISUZAHDAGQUAQS-VGBGKYFTSA-N	219.071	-0.506	50	10	BBGE	
CCN(CC)c1nc(OC)ccc1B(O)O	2243036901	LUDOSGMLELEAOL-UHFFFAOYSA-N	224.069	-0.384	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@H]2C[C@@H]21	2243349258	IOOCOVVUDFQAIF-FSPLSTOPSA-N	238.077	-0.943	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2243356290	FGAGUBCZENWRCZ-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccoc1B(O)O	2243362632	UKPSCJYKYYTKCY-BDINMYNLSA-N	221.021	-0.902	50	10	BBGE	
COCC1CN(C(=O)C2(B(O)O)CCC2)C1	2243365624	PBAZZGCHHXOVME-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCOC1	2243398696	SJCSHPFVUNDKJO-VIFPVBQESA-N	227.069	-0.464	50	10	BBGE	
CCS[C@@H]1CC[C@H](NC(=O)C#CB(O)O)C1	2243400186	WZXDTWAMHLXUHP-DTWKUNHWSA-N	241.121	-0.208	50	10	BBGE	
C#CCN(CC)C(=O)c1ccoc1B(O)O	2243400516	CJXIPXAHPQBVRL-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
NC1(CCNC(=O)C2CC(B(O)O)C2)CC1	2243413357	FCYFCRZUXUNRRO-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
Cc1ncc(C(=O)NCCC#CB(O)O)o1	2244548336	NTSGURFDRQTXHR-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H](CF)C1	2247738482	QVIVXAAUNDEHBZ-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
O=C(C#CB(O)O)NCC1(CO)CCCCC1	2247744311	QWIWRTSCIWBSNU-UHFFFAOYSA-N	239.080	-0.939	50	10	BBGE	
CO[C@@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)C1	2247746583	AZOJKRBEABLPSU-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1occc1B(O)O	2247750918	PWTSIGQPTQCKPI-RDDDGLTNSA-N	235.048	-0.368	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N(O)C(C)C	2247751699	AUKLKUQUBKUDNZ-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
CC(C)CCCNC(=O)c1c[nH]nc1B(O)O	2247780539	CROOZJKEBVINLN-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787022	JYIUOJDNDKUCCG-XAVMHZPKSA-N	237.064	-0.223	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1scc(C)c1B(O)O	2247800066	KZKJDZSEDVIBFH-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
CNC[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247800116	LIZKJVOLIFVHTO-XNWIYYODSA-N	240.112	-0.693	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@]2(CCO2)C1	2247806703	OUERTYYNRYWQGZ-NWGYLPEXSA-N	239.080	-0.369	50	10	BBGE	
CN(CC(C)(C)C)C(=O)c1cc(B(O)O)c[nH]1	2247850615	QPTSDQBCNRKHJZ-UHFFFAOYSA-N	238.096	-0.187	50	10	BBGE	
CC1(C)CC[C@H](N)CN1C(=O)C1(B(O)O)CC1	2247853429	MFEVEXQWOPIUOB-QMMMGPOBSA-N	240.112	-0.278	50	10	BBGE	
Cc1ccc(C(=O)N2CC(F)C2)cc1B(O)O	2247854545	DZJMPUHIJUDWRG-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1ccoc1B(O)O	2247868181	DLDLDDUOMGGPCY-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
O=C(NCC[C@@H]1CCCCN1)C1(B(O)O)CC1	2247873959	ICEANQKKUAFFOP-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
O=C(NCC1CC=CC1)c1occc1B(O)O	2247877812	DWCPFDZRKYFMJB-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(NC1CCC(O)CC1)[C@H]1C[C@@H](B(O)O)C1	2247894290	FGMZWTQYMJJSJM-BQKDNTBBSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C(=O)[C@H]1C[C@@H]1B(O)O	2247899254	LTSZJSICBIABKB-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(F)cc1B(O)O	2248438268	FLPHBNUQKSSNGM-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
OB(O)C1CCN(CCc2cnccn2)CC1	2249357155	RHZYQTNSQGXJGT-UHFFFAOYSA-N	235.096	-0.042	50	10	BBGE	
C=CCN(C[C@@H]1CCC[C@H](C(=O)NN)O1)OC	2249506200	ZRFVGODHUPSGRS-VHSXEESVSA-N	243.307	-0.037	50	10	BBGE	
O=C(C[C@@H]1C[C@H]1C1CC1)NCCC#CB(O)O	2250002450	LJPILHHOUVWJJH-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC[C@@H]2C[C@H]21	2255450631	YNRQGZBWZGMHMY-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1	2255508813	DLHIYMGZDWYXFX-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC=CCCC1	2255509293	RCCFCLAFKLMXPC-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CC#N)ccc1B(O)O	2255509730	OOVZRUAJMINXDK-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(C)c1	2255513225	NGAYDELIIJYSOW-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255517360	CCGWKOVMBCXHIX-VHSKPIJISA-N	248.091	-0.464	50	10	BBGE	
Cc1cncc(NC(=O)c2cc(B(O)O)n[nH]2)c1	2255551003	RCARMTLCVGZACI-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2CC2(C)C)c(B(O)O)c1	2255556779	VGMMUBIHOGKQGN-VIFPVBQESA-N	248.091	-0.402	50	10	BBGE	
O=C(Nc1ccc2nncn2c1)[C@H]1C[C@H]1B(O)O	2255570953	KVVTTZLWABUHBW-JGVFFNPUSA-N	246.035	-0.469	50	10	BBGE	
C[C@H](Cc1ccc(F)cc1)NC(=O)C#CB(O)O	2255681864	YGWBBYAQDVMGFQ-SECBINFHSA-N	249.050	-0.112	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)c(OC)c1	2255764990	KIIKINJRTSJMIN-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
Cn1ccc(C2CN(C(=O)[C@H]3C[C@H]3B(O)O)C2)n1	2255765244	NGPBWQNPGMWHRC-DTWKUNHWSA-N	249.079	-0.791	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1cc(B(O)O)co1	2258138368	JEVYGLNDWNTKEO-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2261290417	GDSPEOVKCRIDJX-AOOOYVTPSA-N	249.079	-0.346	50	10	BBGE	
C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369780	FLPQNSFFMSFUBC-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
CN1CC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369838	HDOGTWGMPGUESB-YWVKMMECSA-N	240.112	-0.693	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298369839	HFNHBVAJMJEDEO-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369956	JXFHTKJTJWQZCP-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)O1	2298376813	PYHQCDPEVZYQNU-GRDBIXFFSA-N	241.096	-0.126	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@@H](F)C1)C(=O)NN	2303410912	QTOSDJIDNBCHFL-IQJOONFLSA-N	247.314	-0.203	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303835476	XNQAVBUQEUDJIC-IMTBSYHQSA-N	240.043	-0.653	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)n[nH]1	2312849602	ISAPOMSBJKFIPI-CSMHCCOUSA-N	249.079	-0.992	50	10	BBGE	
CNC[C@@H](C)N(C)c1ccc(B(O)O)cc1C#N	2317151040	MLDKCVAHYTVKLO-SECBINFHSA-N	247.107	-0.718	50	10	BBGE	
Nc1nnn(CC(=O)NN=C2CCCCC2)n1	547842	PJXWDJDHORWKMJ-UHFFFAOYSA-N	237.267	-0.308	50	10	BBGE	
NCC(=O)NNC(=O)c1ccc(F)cc1	49814857	JNEPICOJVIYMCD-UHFFFAOYSA-N	211.196	-0.455	50	10	BBGE	
CO[C@H]1CCC[C@@H](OCC(=O)NN)C1	70543752	JVMVLRFTVZWVFA-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
CC(C)CC(=O)N1CCN(C(=O)NN)CC1	71533693	MSNBRHAXRKUKLM-UHFFFAOYSA-N	228.296	-0.240	50	10	BBGE	
C[C@@H](Oc1cccc(C(N)=O)c1)C(=O)NN	82464280	AZZNCZOSJPHJGD-ZCFIWIBFSA-N	223.232	-0.457	50	10	BBGE	
CC[C@H](Sc1nnc(N)s1)C(=O)NN	82472889	YFZIDBTWHQSEJC-VKHMYHEASA-N	233.322	-0.019	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1CC(O)C1	84453473	GWJNGHYCGWXTLU-AFPNSQJFSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](Sc1nnc(N)n1C)[C@@H](C)C(=O)NN	86314125	RDDWTRMPCLZHAB-UHNVWZDZSA-N	244.324	-0.496	50	10	BBGE	
CC(C)(CN1CCCC[C@@H]1C(N)=O)C(=O)NN	93728016	YPIVXDSSRJCUCC-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
C[C@](O)(CO)CNC(=O)CCBr	168484708	NFFYKCZAFRXOMN-SSDOTTSWSA-N	240.097	-0.369	50	10	BBGE	
CC(C)[C@@H](N)C(=S)N1CCC[C@@H]1B(O)O	210105573	SBBQYCLBXQJVIG-HTQZYQBOSA-N	230.142	-0.227	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NCCCNC=O	216976409	UWTXFPNTWIZVLC-NTMALXAHSA-N	238.291	-0.354	50	10	BBGE	
CCN/C=C(/C#N)C(=O)N1CCOCC1	217098743	KYHYKOXBXOGUEU-HJWRWDBZSA-N	209.249	-0.138	50	10	BBGE	
CN(CCI)CC(N)=O	218193009	XJZYGVDRWCQOMD-UHFFFAOYSA-N	242.060	-0.162	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230356947	QTZBNMYRIMJGES-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
CCCN1CCN([C@@H](COC)C(=O)NN)CC1	232418859	XJPQSPAIIRVLFF-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CS(=O)(=O)O[C@H]1COC[C@H]1Cl	238376636	LVYJUNHEDWAEBF-UHNVWZDZSA-N	200.643	-0.031	50	10	BBGE	
CCN([C@@H](C)COC)[C@H](COC)C(=O)NN	299999585	WYXKRHICHSYRMV-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
COC[C@H](SCC(=O)NC1CC1)C(=O)NN	300803884	FXXSHCNJZTWYLC-ZETCQYMHSA-N	247.320	-0.997	50	10	BBGE	
NNC(=O)CN1C(=O)C[C@@H]2CCCC[C@@H]21	308874816	CRRNZNDSYKNGBX-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
C[S@@](=O)CCNc1nc(N)nc(CCl)n1	309099306	IDFOQMLGVXZNQH-OAHLLOKOSA-N	249.727	-0.017	50	10	BBGE	
CN(CB(O)O)C(=O)[C@H](N)C1CCCCC1	309148668	NFBAIKUQOAQSPP-SECBINFHSA-N	228.101	-0.636	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(OCC)C1	383045852	WHHOPIWESCNYBS-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
CCCCCNCC(=O)NNC(C)=O	389233185	UYHQWGIJVZHRSD-UHFFFAOYSA-N	201.270	-0.067	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@@H](O)C2)n1	393176449	IYLPFBQRQYFKIG-ZCFIWIBFSA-N	242.304	-0.687	50	10	BBGE	
CN(C)CC1CN(CC(C)(C)C(=O)NN)C1	394414988	BRPBYZCPKAFYPP-UHFFFAOYSA-N	228.340	-0.504	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(C(=O)O)c1	396129463	PEDPWZGJPHZVSK-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
NC(=O)CCS(=O)(=O)CCCCl	399161749	BZCZUTIRVLLGIF-UHFFFAOYSA-N	213.686	-0.095	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401691934	GTZAGCVEWPEJAO-IMSYWVGJSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H]1CCNC1=O	575521724	HZTNICRTJIDZHT-UHNVWZDZSA-N	235.081	-0.226	50	10	BBGE	
C[C@H]1CCCN(CCC(=O)NN)[C@H]1CO	688736794	LGLDFXVYXIJIPQ-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(CCC(=O)NN)C1	688959078	LPIKXSDNZXDLMI-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CN(C)C)C1	689157040	BNUZIQVOQSVHQM-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
COC(=O)[C@](C)(O)CN1CCC(O)(C#N)CC1	692178644	QCMDKTYTRZINRJ-SNVBAGLBSA-N	242.275	-0.739	50	10	BBGE	
CCN1CC[C@@H](N2CCC(O)(C#N)CC2)C1=O	694831207	QYLXJCLZWIHQNK-SNVBAGLBSA-N	237.303	-0.042	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@H]1CO	698213788	LGPPKANRAXTVGM-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
COC1(C(=O)NCB(O)O)CCCC1	701932649	RKHPXYKQOOURKL-UHFFFAOYSA-N	201.031	-0.926	50	10	BBGE	
CC(C)C[C@@H](SC[C@H](O)CO)C(=O)NN	710065591	LWYURVOQEPGPQK-HTQZYQBOSA-N	236.337	-0.523	50	10	BBGE	
C[C@H](CN1CCS[C@@H](CCO)C1)C(=O)NN	720093187	XZGPYVNLHMVHDW-BDAKNGLRSA-N	247.364	-0.588	50	10	BBGE	
N#CC1=C(NN2CCCC2)S[N][C@@H]1N	725632388	TXUCBGWRWXALSE-ZETCQYMHSA-N	210.286	-0.127	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC[C@H]1C(N)=O	757145911	LZNUNNRZBOFIJO-WHFBIAKZSA-N	233.655	-0.591	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@H]2CC2(C)C)nn1	855186673	DIWZCGYJTRBGKA-LURJTMIESA-N	237.263	-0.378	50	10	BBGE	
Cc1nnc(NNC(=O)C2(O)CCCC2)n1C	856049551	NPLQNLZZDAGCRL-UHFFFAOYSA-N	239.279	-0.128	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)COC1CC1	878770111	ZPUUSYNBNDJEMR-UHFFFAOYSA-N	238.247	-0.342	50	10	BBGE	
CN1CC(N2C(=O)C[C@H](Cl)NC2=O)C1	953028752	XIOMWBRUNQZIDG-ZCFIWIBFSA-N	217.656	-0.193	50	10	BBGE	
Cc1nnc(NNC(=O)c2cn[nH]c2)n1C	1118941284	CHBUBWPLTNSNIO-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@H]2CC(=O)N2)cc1	1295292286	OVBOWEHLTRVTLB-VIFPVBQESA-N	230.227	-0.110	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1306209427	ICGBPFUYKMVKRP-RITPCOANSA-N	229.236	-0.725	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C\c1ccncn1	1442296982	VVXPLZAQOLHEOJ-ARJAWSKDSA-N	235.247	-0.160	50	10	BBGE	
O=C(NNC(=O)C1CC1)C1=C2CCCN=C2NN1	1538514200	JUUSFUZQTHTPEO-UHFFFAOYSA-N	249.274	-0.902	50	10	BBGE	
NC(=O)CONC[C@@H]1C[C@H]1Br	1877441541	PZTBGAZEPFBHJN-CRCLSJGQSA-N	223.070	-0.224	50	10	BBGE	
Cn1c(O)nnc1NC(=O)CBr	1881463713	PWRZNMPFJCYYOP-UHFFFAOYSA-N	235.041	-0.146	50	10	BBGE	
C[C@H](O)[C@H](N)CNC(=O)[C@H]1C[C@@H]1Cl	1883644972	KSBOHIQDNFMROO-ZTYPAOSTSA-N	206.673	-0.562	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@H]1CNCCS1(=O)=O	1883705362	RDZGPXKZJJZDPK-RITPCOANSA-N	225.697	-0.431	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOC[C@H]1F	1886918189	RIAURVJRGIETCW-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)NN(C)C)C(=O)O	1888156053	PQURJYMCZFOHJN-UHNVWZDZSA-N	207.205	-0.427	50	10	BBGE	
CCCCN(CC(=O)NN)C1COC1	1893761550	KJKOGWAAHUKYOW-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CCCOC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1894261489	CGMBOHFXNAPXQD-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@]2(O)C1	1895058531	MSGURJSQTDCOIQ-SVRRBLITSA-N	235.234	-0.932	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@H]1COC[C@H]1O	1897225644	CHBACPZLKYZNBY-XLNBVVSQSA-N	247.678	-0.178	50	10	BBGE	
CN(NC(=O)[C@]1(C)C=CCCN1)S(C)(=O)=O	1901338860	DIBIFSNTQIAAND-VIFPVBQESA-N	247.320	-0.783	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C1(C)CNC1	1901341461	VQUYYLZPOREQOH-UHFFFAOYSA-N	249.336	-0.703	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	1902515693	KEIYZUIMBNFXLP-BDAKNGLRSA-N	228.101	-0.552	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCc2ncno2)C1	1902527843	CCKAZQYZLBXIPU-MRVPVSSYSA-N	225.057	-0.449	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@]1(CO)CCCN1	1909249679	DBDNVVLFTSYHBR-KTOWXAHTSA-N	232.711	-0.013	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1COC1	1915651352	UDKLQCIEYOAXMP-RQJHMYQMSA-N	201.270	-0.669	50	10	BBGE	
CON1CC[C@@H](NNC(=O)C(F)(F)F)C1=O	1923410850	CLOGVRMWRGFTJA-SCSAIBSYSA-N	241.169	-0.668	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1927913389	IRYHGIWYTNAMCD-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)N[C@H]1CCCN(C2CC2)C1=O	1928188886	AIBRIRYHACIESR-ZETCQYMHSA-N	212.253	-0.687	50	10	BBGE	
C[C@H](CN1C[C@H](O)C2(CC2)C1)C(=O)NN	1930236127	WAOOCMCZXMANLB-SFYZADRCSA-N	213.281	-0.931	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1COCCO1	1935547446	MPDYEWRCEJNFDP-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)[C@H](C)CO1	1935943389	CSMCQSUKMPNYLU-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CN(C)CCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1936095127	UFXHPIHWXMOUSC-UWVGGRQHSA-N	228.340	-0.504	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1937477366	KZEXMYASGGLZJO-OPRDCNLKSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@H]2CCC[C@@H]21	1941080915	WCFOVCGAWYBITG-ZNSHCXBVSA-N	239.319	-0.134	50	10	BBGE	
CN(Cc1ccnn1C)C[C@@H]1C[C@@H]1C(=O)NN	1941086284	ICGJZFBZDHLALV-WPRPVWTQSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]2COC[C@@H]21	1941087802	NTISREZUAVWGJQ-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
CCN(CC1CN(C)C1)CC1(C(=O)NN)CC1	1945892985	OOUNJLZBJXQHLD-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
Cc1cc(=O)n(CC2(C(=O)NN)CC2)c(C)n1	1945914502	GWRHFSGBSIXLBM-UHFFFAOYSA-N	236.275	-0.370	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](OC)[C@H]1C	1949587924	IXYYZISFIAVMBZ-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1	1954513121	KYNVEEZDOWVKJQ-QYNIQEEDSA-N	207.657	-0.432	50	10	BBGE	
NNC(=O)NC[C@@]12COC[C@@H]1C2(F)F	1955744905	FCYJKPHJXDRFRQ-UJURSFKZSA-N	207.180	-0.559	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CC#N)C(F)(F)F	1960095783	ZCKCOPRHKWBJEC-YFKPBYRVSA-N	224.186	-0.247	50	10	BBGE	
O=S(=O)(NCB(O)O)[C@H]1CCCC[C@@H]1F	1962633823	PUGTVDVHJABDCL-BQBZGAKWSA-N	239.077	-0.802	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H](C)[C@H]1C	1977236694	DVWZBGYDJPQEAH-XFWSIPNHSA-N	229.324	-0.175	50	10	BBGE	
CC(C)N(C)Cc1c(C(=O)NN)cnn1C	1980595053	WNCQWLGTXVSUDA-UHFFFAOYSA-N	225.296	-0.136	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CC1(C)C	1981411846	OVWUIHVMBRVMIT-VIFPVBQESA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CCC[C@H]21	1981424501	URDYKSYVIPNEKS-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CO[C@H]2C[C@@H]1C2)C(=O)NN	1986053038	ITBGLQWFXJDHQO-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1987093020	QSUULSMVTSINER-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
C=C[C@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1990538613	FNFHZRFBKNJSDN-QMMMGPOBSA-N	235.234	-0.766	50	10	BBGE	
C=C(CN(C)CCCOCCOC)B(O)O	1992160766	ZSMNCXKOZLXCCU-UHFFFAOYSA-N	231.101	-0.461	50	10	BBGE	
C=C(CN1CCOC[C@H]1C(F)(F)F)B(O)O	1992167896	RJWLFDVXBMBYMU-ZETCQYMHSA-N	239.002	-0.182	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993215308	IWMRIRQTRDTCCD-YWVKMMECSA-N	227.308	-0.685	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]2COC[C@H](C2)C1	1995162922	DBEPQDRKGQNUKX-ILWJIGKKSA-N	228.292	-0.338	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(n2ccnc2)CC1	2004039177	FTAZNDJBBZRKJS-VIFPVBQESA-N	237.307	-0.102	50	10	BBGE	
CC[C@@]1(F)CCN(c2ncc(B(O)O)cn2)C1	2004911206	DPORLNWZJNVLEV-SNVBAGLBSA-N	239.059	-0.515	50	10	BBGE	
CC[C@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2004913564	GKTFHLQLZYMUAD-SNVBAGLBSA-N	235.096	-0.219	50	10	BBGE	
CO[C@@H](C)CCN(C)c1ccc(B(O)O)cn1	2009690175	QMANQWUKYGXWTA-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011296649	DBGLQIORPIFLLN-KLBPJQLPSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCC(=O)N(C)C1	2014819757	BCINGCIYQLAHIX-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2019179146	NMYXAHMRVDWGDG-KANREYFESA-N	237.303	-0.260	50	10	BBGE	
CC[C@@H]1COCCN(CC(=O)NNC(C)=O)C1	2019220546	ZHQROAUMOZCLGN-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
OB(O)c1ccc(N2CC3(CCOCC3)C2)nc1	2052468387	CEHGWEZSPOCEIM-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
Cc1nc(N2CCC[C@@H]3CC[C@@H]32)ncc1B(O)O	2052551698	ITCNXAMHHAAFMG-KOLCDFICSA-N	247.107	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2CC(C)C2)n1	2052617195	ABXYDQLJTJIMFJ-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
CCc1ccc(OC)c(C=O)c1B(O)O	2060168381	LSVJZVLPCUQHFI-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@]2(C)C[C@H]12	2065691149	DKDKRTJSKAKMCN-FOGDFJRCSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32	2086993507	GKEQUIRPQIFPBB-BNXHHWKUSA-N	243.071	-0.350	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@@H]2C1	2211720054	BGXYEZYCRFBPPT-OFIRDVTFSA-N	245.706	-0.329	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCN1C)C(=O)NN	2211854133	HGNBXHGICPCEQX-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C=CCOC(=O)NCc1sccc1B(O)O	2212133863	NAMJQLSACALBLA-UHFFFAOYSA-N	241.077	-0.160	50	10	BBGE	
C#CC(C)(C)N(C)c1ncccc1B(O)O	2212610051	BIZLLINOEDVQOC-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
CN1CC2(C1)CN(C[C@H]1CC[C@@H]1C(=O)NN)C2	2215776295	LVQYVKOSNQKVLS-ZJUUUORDSA-N	238.335	-0.750	50	10	BBGE	
NNC(=O)C1(CN2CCCC2=O)CCOCC1	2216862867	GDZPPTQMZKOMRI-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
CN(C)C1CC(Nc2ncccc2B(O)O)C1	2217174395	YRAWFJFKMQBMAH-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3[C@H](C2)C3(F)F)c1	2217174723	XUGCWNOEXJQNAL-YUMQZZPRSA-N	240.018	-0.537	50	10	BBGE	
C[C@H](CN)C[C@@H](C)Oc1ncccc1B(O)O	2217174862	ZRYFNMSXLOJGPY-DTWKUNHWSA-N	238.096	-0.486	50	10	BBGE	
Cc1noc(CNc2ccc(B(O)O)cn2)n1	2217180254	RMOUTGCSNBFRTG-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
COC1CC(COc2cc(B(O)O)ccn2)C1	2217190427	DIZJDWPUHZARIB-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H]1C[C@H](CNc2cc(B(O)O)ccn2)CO1	2217200725	ASRLAZPDUDIZTO-RKDXNWHRSA-N	236.080	-0.402	50	10	BBGE	
OCC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2220060284	WMQAQAHHLCTKHD-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
CNCC1CCN(c2ncccc2B(O)O)CC1	2223637594	GFVIETUNXRNCPL-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
Cc1cnc(NC[C@@]23COC[C@H]2C3)cc1B(O)O	2223642322	ZSULOGVJPNDDPS-SKDRFNHKSA-N	248.091	-0.482	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@@H]2CC[C@H](C1)N2	2223646094	GGRQOQXUBZTKPC-ILWJIGKKSA-N	248.091	-0.577	50	10	BBGE	
CCCN1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2223678906	JJTWDUKNHDRVJL-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
O=C(N=S1(=O)CCC1)[C@H]1C[C@@H]1B(O)O	2241496767	WELXOZHSLCOCMU-WDSKDSINSA-N	217.055	-0.752	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1nncs1	2243285390	QTAYAUUZAPCOOE-NKWVEPMBSA-N	243.336	-0.016	50	10	BBGE	
CN(C[C@@H]1CCCCS1)C(=O)C#CB(O)O	2243349169	HDEJTKQORQZMIO-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H](F)C1	2243359006	NEKVWUJLEFONCC-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C(=O)C2(B(O)O)CC2)C1	2243363042	AHSNQGWHSLGTNW-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)C1(B(O)O)CC1	2243366006	WAVKCALWJJHXPF-MRVPVSSYSA-N	228.101	-0.517	50	10	BBGE	
C=C(CO)CCNC(=O)C1CC(B(O)O)C1	2243392991	ZEJJAWDTCYKNHM-UHFFFAOYSA-N	227.069	-0.706	50	10	BBGE	
C=CC(C)(C)NC(=O)c1coc(B(O)O)c1	2243397796	JHAMFDVOKPMANX-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
CC[C@@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243419772	GHGJUWZHUKKSAR-NQMVMOMDSA-N	229.085	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)NCCC1CCC1)B(O)O	2243433357	LGYNSMPFDUINLV-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
CN1CC2(CN(C(=O)CCCl)C2)OCC1=O	2245326499	CFYOFDXOIZHODW-UHFFFAOYSA-N	246.694	-0.315	50	10	BBGE	
CC#CCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2245365275	OGJDKHCQSZCUBB-XYPYZODXSA-N	224.260	-0.435	50	10	BBGE	
CO[C@H](CCl)CNC(=O)c1c[nH]c(=O)cn1	2245980475	KPNBKBZMHWCUMK-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
CC1(Cn2ccc(B(O)O)n2)CC(F)(F)C1	2246059529	YWVRYMHBTCTZBM-UHFFFAOYSA-N	230.023	-0.002	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2247740637	NKVCISXANUXGTR-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)[C@H]1CCCCO1	2247743706	IAOHLJTXTGENGG-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
O=C(N1CC2(CC2)C[C@@H]1CO)C1(B(O)O)CC1	2247750459	JUNGJUIWBQLIBF-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1occc1B(O)O	2247754270	LTYVLEOHDDTUPH-QMMMGPOBSA-N	233.032	-0.803	50	10	BBGE	
NC1[C@H]2CC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247757164	OWIJPHRNWNPMEU-YUMQZZPRSA-N	238.096	-0.811	50	10	BBGE	
O=C(N1CC[C@@H]2OCC[C@@H]2C1)C1(B(O)O)CC1	2247758886	YICSLLUQHSGGBD-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CCCNC(=O)c1ccc(OC)c(B(O)O)c1	2247759450	QNDQPTCTQDRWKT-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2247761568	WLUSMTRBAVZPIE-MRVPVSSYSA-N	232.048	-0.933	50	10	BBGE	
O=C(N=c1ccnc(F)[nH]1)[C@H]1C[C@@H](B(O)O)C1	2247787722	SUXVSKKEDUQJMA-OLQVQODUSA-N	239.015	-0.771	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2CCO[C@H]2C1	2247789697	ADAXXWYANJSKSC-JXUBOQSCSA-N	239.080	-0.513	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247791022	KSTBEKYGHUHFLS-UTINFBMNSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@@H]1O	2247791821	OYXGRZVBWMLLMS-MBXMOIHESA-N	241.096	-0.485	50	10	BBGE	
O=C(NCc1ccc(O)nc1)[C@H]1C[C@@H]1B(O)O	2247798797	XGYQHOVCOJSMMJ-YUMQZZPRSA-N	236.036	-0.734	50	10	BBGE	
O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1C[C@@H]1B(O)O	2247803616	BUPIQGHLEMILTI-KXUCPTDWSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](CO)C12CC2	2247807673	IRETWIWRWTURIV-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H](CCO)C1	2247808574	VJOFNEBONHXALF-IVZWLZJFSA-N	241.096	-0.530	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1cc(B(O)O)c[nH]1	2247848257	JHVXTERYRJLOEM-UHFFFAOYSA-N	234.064	-0.633	50	10	BBGE	
C=CC1CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2247852744	YWHFUXIDWIJNBI-UHFFFAOYSA-N	234.064	-0.611	50	10	BBGE	
Cc1ncn(C)c1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247860253	UIUBVCGTCPKOAH-HTQZYQBOSA-N	237.068	-0.792	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2247874885	QPRZPFMOWHHXPA-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
N[C@H]1CC[C@H](CCNC(=O)C2(B(O)O)CC2)C1	2247880339	ZIIOZRTVZFAVFO-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(C)c(B(O)O)o1	2247890144	HODZDPOFBOYSLP-MRVPVSSYSA-N	235.048	-0.638	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CN	2247900572	XYGWXNANEWJLGT-DJLDLDEBSA-N	240.112	-0.707	50	10	BBGE	
C[C@H]1NCCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247909215	GTDMNNYKNKYSGM-WOOKNIGNSA-N	240.112	-0.504	50	10	BBGE	
C=CCCC(=O)NCc1cccc(B(O)O)c1	2248400885	BZROKWAJDMMXOL-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
C[C@H](CCCNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248586061	VFGSPTVVBSJZDH-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2249416101	NDKYAYOZKOXFRT-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2249999045	QPPCAHRMYAYFSA-QGKZMRNZSA-N	233.076	-0.590	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2251005542	VXJLDZRSGHIEGT-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)Nc1cnn(C2CCCC2)c1	2255463987	PWYFJJIGERZXCI-UHFFFAOYSA-N	247.063	-0.048	50	10	BBGE	
Cc1nc2ccc(NC(=O)C#CB(O)O)cc2[nH]1	2255464834	BNHNCAHZUQJIIF-UHFFFAOYSA-N	243.031	-0.175	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC=CC1	2255477050	UNKLAOQQDBENHR-MRVPVSSYSA-N	248.091	-0.221	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ncccc1B(O)O	2255518055	ZEQFYCFSRXXKGJ-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
C=CCN(C(=O)c1ncccc1B(O)O)C1CC1	2255521375	VZSXJVXOHMKXOF-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(N[C@]12CCCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671739	WGURKOSEMMVWKG-UFBFGSQYSA-N	248.091	-0.243	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2255735580	WHMBRFYFQMTWNZ-LLVKDONJSA-N	246.075	-0.448	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1cc(B(O)O)ccc1O	2256016183	DLAHJLJVQTZPAZ-ZETCQYMHSA-N	248.047	-0.896	50	10	BBGE	
CCC1(N(C)C(=O)c2nccnc2B(O)O)CC1	2256062585	ZJEMYRGFGRTTSO-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1nnccc1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2261223491	FERDPISRAKVRLD-VHSXEESVSA-N	249.079	-0.394	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CNCC1(C)C	2261233617	DILWRURVVWMSMN-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
CN(C[C@H]1C[C@@H]2CC[C@H]1O2)C(=O)C#CB(O)O	2298367405	DHYRCVSIRQNQHW-KXUCPTDWSA-N	237.064	-0.972	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2298370315	VOJFPOIPSMRQGL-KATARQTJSA-N	239.080	-0.513	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298371353	JJPLDXGLOGZLGF-SGIHWFKDSA-N	240.112	-0.552	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1	2298625520	NVLRHABWSSMBPL-QXFUBDJGSA-N	233.080	-0.243	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2C[C@H]1C(=O)N2C	2299225202	ZHASWTCTPAJDOG-YIZRAAEISA-N	240.307	-0.940	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(F)(CN(C)C)CC1	2300071852	DCJPAQKTHGCJBV-VIFPVBQESA-N	246.330	-0.270	50	10	BBGE	
CON1CCN([C@H](C)CCCC(=O)NN)CC1	2302018184	NIYKSCKVDHJLAS-SNVBAGLBSA-N	244.339	-0.286	50	10	BBGE	
O=C(c1ccnc(O)c1)N1CC[C@H](B(O)O)C1	2303102120	RCPNOONOPHTXOA-QMMMGPOBSA-N	236.036	-0.524	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1ccoc1B(O)O	2312847970	AODMDDFJLHSEFM-MRTMQBJTSA-N	249.075	-0.265	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cc2c(cc1=O)CCC2	2319840245	UMFQXXCEYCUGAM-QWRGUYRKSA-N	247.298	-0.037	50	10	BBGE	
C#Cc1ncccc1Nc1ccc(B(O)O)cn1	2322529440	HSDQUOKMEJOQDW-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](N)CC(C)C	49812288	MBCKMBNRGCJEDT-SSDOTTSWSA-N	201.270	-0.083	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)[C@H]1CCNC1	71330877	IRLCWYXONCOVSY-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(O)CC1	82465924	BGZOIALQUPEPSF-QMMMGPOBSA-N	201.270	-0.788	50	10	BBGE	
CCN(CC)C(=O)CN(C)CCC(=O)NN	82470407	ILNWHUVCZRKITA-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
C[C@@H](C(=O)NN)n1nnc(-c2ccco2)n1	82471599	NKDWPDXSANHZCR-YFKPBYRVSA-N	222.208	-0.516	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC)[C@H](C)C1	82485329	VZXUBLKHXSKEDZ-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CS(=O)(=O)CCNCCOCCCl	83195848	BTPRBLRZZASUQZ-UHFFFAOYSA-N	229.729	-0.124	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H]1CCN(C)C1	93071881	UTDRDQXICBNDME-HBNTYKKESA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)c1cccc(/C=C\C(=O)NO)c1	115626227	OJVOPPSLXWPGMX-PLNGDYQASA-N	221.216	-0.191	50	10	BBGE	
C[C@@H]1C(=O)N(CCCC(=O)NN)C(=O)[C@@H]1C	117871767	WJHRYHVZINIOAS-KNVOCYPGSA-N	227.264	-0.603	50	10	BBGE	
Cc1cc(NN)c(C(=O)NN(C)C)cn1	150257765	MTEIVDKZQREGNP-UHFFFAOYSA-N	209.253	-0.118	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C)C(=O)N1CCOCC1	159170794	FJTOUHOBHIDRHH-YUMQZZPRSA-N	248.710	-0.023	50	10	BBGE	
O=C(CCBr)NC[C@H](O)CO	168484482	XMRZJEOGEKSBSV-YFKPBYRVSA-N	226.070	-0.759	50	10	BBGE	
CCOCOc1cc(F)ccc1B(O)O	211683999	IPLQEZKIMXDBNN-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
CCCNC(=O)CNS(=O)(=O)CCCl	232295116	SWBULMZNYDVKIG-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
CCN(CCC#N)[C@H](COC)C(=O)NN	232419821	DUDWVLPRHKHROX-MRVPVSSYSA-N	214.269	-0.773	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCN(C)C[C@H]1C	300535575	ARNPBAYDQLJFEI-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CC(=O)NC1CN(S(=O)(=O)CCl)C1	306722276	PUIBYGPXTXRXQL-UHFFFAOYSA-N	226.685	-0.667	50	10	BBGE	
OB(O)c1cc(O)cc2sc(O)cc12	306955941	BVTQSWJPIULBBT-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
N#Cc1cncc(S(=O)(=O)N=C=O)c1	307123649	PBAQJGOXRKORTF-UHFFFAOYSA-N	209.186	-0.022	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N)[nH]1	309260254	HTKKIHGXMKWGFE-GSVOUGTGSA-N	244.280	-0.965	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCN(C)C1	381596824	FTDSPUSWFXHBMA-GUBZILKMSA-N	228.340	-0.363	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1nncn1C	383461870	MRBIYQRZWSJNDL-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCCO	384824226	QABYLXRTIDDKNM-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CC[C@@H](C)S(=O)(=O)NNC(=O)NC	393589584	KOFFNASZBPSKOZ-RXMQYKEDSA-N	209.271	-0.452	50	10	BBGE	
COc1cc(CCC=O)ccc1B(O)O	396029767	GKQUYWGZLBLMKT-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CCOC(=O)c1nc2cc(B(O)O)ccc2[nH]1	396054302	QTMBYVASCNNLNI-UHFFFAOYSA-N	234.020	-0.581	50	10	BBGE	
CCOc1cc(B(O)O)ccc1CCC=O	396092395	HHBDARLOBBIWCL-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
C[C@@H]1CN(C2CC2)CCN1CC(=O)NN	402792624	SXNQIJUVCSLBMR-MRVPVSSYSA-N	212.297	-0.855	50	10	BBGE	
CSCC(=O)Nc1ccc(F)cc1B(O)O	405008315	RHFMCOLWYRCLQF-UHFFFAOYSA-N	243.068	-0.193	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)cc1C	405149048	PNBZJISVTKHDEO-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
O=C1[C@H](Br)CCN1CC#CCO	642871666	XHJAZMSZHDSXSA-SSDOTTSWSA-N	232.077	-0.022	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCC(C)(C)O1	691936987	NHWIACZMUPMOPY-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@@H]3C[C@H]3C2)n1	694230132	SQTXKKNCYJCIHX-OPRDCNLKSA-N	220.081	-0.001	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@H]1C1CC1	699061056	JIMHEHLEFVSACY-DTWKUNHWSA-N	246.075	-0.254	50	10	BBGE	
COC1CC(CN(C)CCC(=O)NN)C1	703368268	BZFIWYJUCDUUMF-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
CC1(C)CC[C@H](CO)N(CCC(=O)NN)C1	706118058	WJZOZBGXEICACI-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706302815	PXKZMTXZQJCDOF-AEJSXWLSSA-N	226.324	-0.752	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](F)[C@H](F)C1	714558880	RROZNRWGHXEMDW-GJMOJQLCSA-N	221.251	-0.007	50	10	BBGE	
NNC(=O)N[C@H]1CCCN2CCSC[C@@H]12	720455631	FZTHVJOKKXWEJU-YUMQZZPRSA-N	230.337	-0.261	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721778250	PMKBLVVIPVFOEV-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@](C)(CO)COC	768456642	QZMONCHZNZNSPJ-DHHDDZJSSA-N	242.275	-0.056	50	10	BBGE	
CC(C)C(=O)NNS(=O)(=O)N1CCC1	795284457	QSMXSWKBHDQJTR-UHFFFAOYSA-N	221.282	-0.786	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCCN1C=O	862499626	GUQBGKCQYYGACN-NSHDSACASA-N	248.286	-0.124	50	10	BBGE	
CC(=NNC(=O)CCO)c1cnc2ncccn12	1119559905	NNNRSWHDOWHTJV-UHFFFAOYSA-N	247.258	-0.048	50	10	BBGE	
O=S(=O)(CCl)NCC1OCCO1	1260936689	HMKWPGWPKVXSGR-UHFFFAOYSA-N	215.658	-0.525	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2C[C@H]2F)n1C	1347831592	KPIQZIADLBSQLK-NTSWFWBYSA-N	213.216	-0.075	50	10	BBGE	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)C1CC1	1538514281	MWDHWFANRKUDOP-MRVPVSSYSA-N	241.291	-0.309	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC1(F)F)c1ncccn1	1570439771	CYJFMYUPQROWOC-YFKPBYRVSA-N	242.185	-0.107	50	10	BBGE	
C=CCNC(=S)NNC(=O)Cc1ncc[nH]1	1587158932	DCSCQHKNIPLAOF-UHFFFAOYSA-N	239.304	-0.367	50	10	BBGE	
O=C(NNc1ccnc(F)c1)[C@]1(O)CCOC1	1633811084	NXCVZLZNTNMWKA-JTQLQIEISA-N	241.222	-0.185	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCN(C)C1	1640520070	PHHBNZXBVSUFEA-SECBINFHSA-N	215.297	-0.453	50	10	BBGE	
O=C(NCCCl)c1cnc2[nH]ncn2c1=O	1866224178	TXBGXBLECVOGTL-UHFFFAOYSA-N	241.638	-0.614	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)cc1	1875775027	DRCWGIOIEYREGH-VROVMSAKSA-N	233.076	-0.249	50	10	BBGE	
CO[C@@H](CN)C(=O)NC1CC(Cl)C1	1881719513	SBCKCVQZMBVEQE-AHXFUIDQSA-N	206.673	-0.154	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CNC(=O)O1	1882701374	OSTXPLBNHJYWKP-CRCLSJGQSA-N	206.629	-0.162	50	10	BBGE	
OCC1(CO)CN(C[C@@H]2C[C@@H]2Cl)C1	1883531989	AKORKHXYBXLXDA-YUMQZZPRSA-N	205.685	-0.100	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2C[C@@H]2Cl)C1=O	1883568035	SYTFXZJSIUCWJQ-IMJSIDKUSA-N	202.597	-0.308	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)CC(=O)NN	1884936848	QFMZAJSVAHVZIZ-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]2CF)n1	1886117623	GHALOLBXPMEZKK-YFKPBYRVSA-N	216.046	-0.629	50	10	BBGE	
NNC(=O)COC[C@H]1CSCCO1	1891540369	WKXILTWNIGYKEA-LURJTMIESA-N	206.267	-0.875	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1894431477	IANZOBGMSNXFRQ-QYNIQEEDSA-N	229.041	-0.925	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)C[C@@H](C)O1	1895135871	ZWLJPXHOJMQKGM-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
CN(CCOC(F)F)C[C@@H]1C[C@H]1C(=O)NN	1897838739	FPRCSTPKVQTIHJ-NKWVEPMBSA-N	237.250	-0.217	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CC[C@@H]2C[C@@H]21	1898117433	FEWQHCOFFMGHBX-KHQFGBGNSA-N	219.049	-0.061	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C[C@H](C)C(=O)NN	1899736492	UZLHRHJUKVBSBU-AEJSXWLSSA-N	227.308	-0.376	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1CCO1	1901307981	ZAYFBZNQXGVMKO-SECBINFHSA-N	223.037	-0.762	50	10	BBGE	
CN(NC(=O)c1cccc(N)n1)S(C)(=O)=O	1901374384	DFFDEBXHSVYTJA-UHFFFAOYSA-N	244.276	-0.800	50	10	BBGE	
CC[C@@](C)(CN1CC(N(C)C)C1)C(=O)NN	1902716511	SYDUSTUHWFUNTI-NSHDSACASA-N	228.340	-0.362	50	10	BBGE	
CCC[C@H](N=S(C)(C)=O)C(=O)NN	1913514970	WEMRYCQTMSLFJQ-LURJTMIESA-N	207.299	-0.127	50	10	BBGE	
CCN(CCCC(=O)NN)S(=O)(=O)CC	1913831430	TVFHKMWCNIPDIA-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
CN(C)NC(=O)N1CC2(C[C@@H]2C(=O)O)C1	1914778240	GILOOQXRPWZNMT-ZCFIWIBFSA-N	213.237	-0.421	50	10	BBGE	
NNC(=O)CCCN1CCC2(COC2)C1	1915567653	JXRNOZCVKBXEMY-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C(=O)NC(=O)[C@@H](C)Cl	1916837444	FTPDVVLPDSHQIY-RITPCOANSA-N	249.698	-0.084	50	10	BBGE	
N=c1[nH]nc(SC[C@@H]2C[C@H]2C(=O)NN)s1	1927916226	OKEWJMPWKMBSLG-IUYQGCFVSA-N	245.333	-0.331	50	10	BBGE	
CC[C@]1(O)CCN(CCCC(=O)NN)C1	1930890841	VFIUMWDUGUQPHS-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@@H](F)C2)CC1	1931265282	MVQUJHXEBQERIF-BQBZGAKWSA-N	219.235	-0.252	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@H]1COC[C@@H]1Cl	1933390012	RTNQTYYYCUVBKB-BQBZGAKWSA-N	242.728	-0.364	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NNCCO)C[C@H]12	1935449997	NNSIMNUGUKAZEL-ZXFLCMHBSA-N	200.238	-0.976	50	10	BBGE	
CO[C@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094254	LPGKCGNTZSNUPD-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1938361188	HGWMDOYHUFVPLH-YUMQZZPRSA-N	230.312	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC12CCOCC2	1941087261	MFIZBUDGQVLBLO-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1941091228	WHZDTAGNGWVFFG-LMLFDSFASA-N	241.335	-0.437	50	10	BBGE	
CC[C@@H](C)N(CCOC)CCOCC(=O)NN	1941775965	QVYQUAINLMWVIJ-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
OB(O)c1ccc(OCc2cccnn2)cc1	1941974525	FTJZWKXGXRHLAY-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H](N)C1	1954216736	ZUYWLNUDBWGXEO-JGVFFNPUSA-N	203.673	-0.223	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](CO)[C@@H](C)O	1954239737	PLSMRJNJAPQVJV-RRKCRQDMSA-N	209.673	-0.138	50	10	BBGE	
CC(C)(CN1CC(CF)C1)C(=O)NN	1955351188	HIJKYYQDVLUMIL-UHFFFAOYSA-N	203.261	-0.096	50	10	BBGE	
COC1CN(S(=O)(=O)NC[C@H](C)Cl)C1	1955782194	YNGUTEDRAOLNOF-LURJTMIESA-N	242.728	-0.221	50	10	BBGE	
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NN	1956772294	KZTBSBPDIBFZKJ-WDSKDSINSA-N	221.282	-0.923	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC(F)F)n1	1961695231	AJKIJRZQFFFMNY-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
OB(O)c1csc(OC2CC(CF)C2)n1	1974619382	GINAGTYBABHYBV-UHFFFAOYSA-N	231.057	-0.050	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1CC[C@H](Cl)C1	1975022775	CDBGEOONZHJJDM-NKWVEPMBSA-N	229.671	-0.051	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ncno1	1976743767	CENARWTWADSRHM-NKWVEPMBSA-N	227.268	-0.484	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H]2C[C@@H]21	1980229963	XNPVAFRWSVJQFS-XKNYDFJKSA-N	226.324	-0.611	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)[C@@H]1C	1981413166	CDFLMGDVOYBGQC-JGVFFNPUSA-N	221.069	-0.609	50	10	BBGE	
O=C1CN(C[C@H]2[C@H]3OCCC[C@H]23)CC(=O)O1	1983227681	RVWIPOKOADRVJI-XLDPMVHQSA-N	225.244	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCOC2=O)C1	1985356281	CVASMSQHXVMADF-HTQZYQBOSA-N	227.264	-0.155	50	10	BBGE	
CCC[C@H]1C[C@H](NC(=O)C(=O)NN)CCO1	1985956446	VUQXJWBJKJFKKM-SFYZADRCSA-N	229.280	-0.560	50	10	BBGE	
CCN(c1ncc(F)cc1B(O)O)C1CC1	1988002190	TZGKXZLAAGFNMQ-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CSCC1(C)CN(CC(=O)NNC(C)=O)C1	1990776513	LQLSHBOHKQDJDX-UHFFFAOYSA-N	245.348	-0.161	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCSC1	1990776631	NHTRSBZXMXPOAW-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCn1cc(B(O)O)cn1	1991146590	DULDKUMBDQZQDN-DTWKUNHWSA-N	224.069	-0.622	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	1991326149	DEKSIFRNHZOPHZ-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CO[C@@H]2CNC[C@@H]12	1991647516	FIWMWDIAUREKGU-XLPZGREQSA-N	244.678	-0.589	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2OCCO[C@H]2C1	1991653716	COJQXNSKKJPDAC-YUMQZZPRSA-N	245.662	-0.066	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)C[C@@]12CCOC2	1996642848	ADYFCKUKGAIZQY-MRVPVSSYSA-N	249.217	-0.997	50	10	BBGE	
C[C@H](CN1CCO[C@@H](CO)C1(C)C)C(=O)NN	1997289990	NPCBJPNCGDKYLV-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CCCNC1=O	2004247989	QVCMQLSJRAHGOG-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
C[C@H]1OCCN(c2ccc(B(O)O)cn2)[C@@H]1C	2004911633	JGLMFSGVVUJVSG-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccc(B(O)O)c(OC2CCOCC2)n1	2004930468	CVTQNQQGVBZJIA-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(C3CC3)C2)n1	2004972283	CQYIBRSHNRELGQ-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
COCC1CN(c2nc(C)ccc2B(O)O)C1	2004973941	CHBIPWVKLBBRPL-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3C[C@@H]32)n1	2005017551	HCLNPIVBLMTBIF-BDAKNGLRSA-N	233.080	-0.628	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2(C)CC2)CC1	2009279838	FCCUQBPXEIFEDA-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ncccc2=O)C1	2010833515	SJGXXRUKMGJRRE-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](n3ccnn3)C2)CC(=O)O1	2012285557	YUIHDHRNSLYJTH-OCAPTIKFSA-N	236.231	-0.633	50	10	BBGE	
C[C@H](COCCOCC(=O)NN)N1CCCC1	2013802676	OOOXSAUVDKSEOL-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@H]1CCCC[C@H]1NC(=O)NCC#CB(O)O	2021105004	NOWXUEFEWCCDLZ-VHSXEESVSA-N	238.096	-0.120	50	10	BBGE	
O=C(C[C@H]1CCCC1(F)F)NCC#CB(O)O	2021158280	ZLFMSAMUQINCAG-MRVPVSSYSA-N	245.034	-0.057	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	2022543917	KIHKPOOLWLWEEF-KOLCDFICSA-N	235.092	-0.180	50	10	BBGE	
CC[C@]12CO[C@](CN(C)C(=O)C(=O)NN)(C1)C2	2025151464	DNUGAWMAWANCMD-PHIMTYICSA-N	241.291	-0.606	50	10	BBGE	
CCc1cc(B(O)O)ccc1OCC1CN(C)C1	2078791616	YIHDJQFBMGDUNQ-UHFFFAOYSA-N	249.119	-0.131	50	10	BBGE	
Cc1nn[nH]c1CCNS(=O)(=O)CCl	2209564289	MFDZAONAOCRLIS-UHFFFAOYSA-N	238.700	-0.229	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@@H]1O	2211720053	BGXYEZYCRFBPPT-KUXMMMIOSA-N	245.706	-0.329	50	10	BBGE	
CN1CC[C@@H](COc2nc(B(O)O)cs2)C1	2211767604	FWUNFFKOVVPMQS-SSDOTTSWSA-N	242.109	-0.847	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC12COC2	2211838224	DUIXMLPKPMBGND-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
C=C(CN(C)C[C@H](F)[C@@H]1CCOC1)B(O)O	2212185157	UTOAZUIYEXLNAP-ZJUUUORDSA-N	231.076	-0.139	50	10	BBGE	
CO[C@@H](C)CNc1cc(B(O)O)c(C)cn1	2212603604	HGDQOIBRUOTHHB-QMMMGPOBSA-N	224.069	-0.483	50	10	BBGE	
C=C1CON(c2nccc(B(O)O)c2F)C1	2212604353	OMLUNCCSJKKZSW-UHFFFAOYSA-N	224.000	-0.792	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2212613471	VXGDEQYPURFBGL-CBAPKCEASA-N	221.069	-0.243	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2213025292	JVEWQQITFYTBTO-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CC1(C(=O)NN)CCC1	2216534118	KHDHOXGOAINWDL-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(NCc2ccno2)cc1B(O)O	2217182904	HTFXGTFAKQLUMB-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@]12CCOC2	2217200233	IUAXULGJQCDYBT-KOLCDFICSA-N	234.064	-0.648	50	10	BBGE	
COC(=O)C[C@H](C)Nc1ccc(B(O)O)cn1	2217200503	KXJSKFFVRMQTJS-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
CC[C@@H]1COCCN1c1cc(B(O)O)ccn1	2217204251	HDBSRYWLQPDBOO-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1Cc1cccc(B(O)O)c1	2220070674	FPZFNFWXQUMVAP-GXFFZTMASA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCC[C@@H]2NCC3)c1	2223632335	IIXBWFHCGWRNMB-JQWIXIFHSA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCC2(CC2)NC1	2223653896	VNZQUQXZIBYQGW-SECBINFHSA-N	248.091	-0.575	50	10	BBGE	
N#C[C@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2223668343	YKUUGKBORIAITQ-JTQLQIEISA-N	245.091	-0.109	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC[C@@H]3C[C@H]23)[nH]c1	2223678218	YSOCFXHHNPRARO-IQJOONFLSA-N	247.107	-0.574	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]1[C@H](O)CO	2241826671	VHUBOVLEYQOPGL-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
Cc1nsc(CN(C)C(=O)NN)n1	2242134115	JVQVTISOSVWWRS-UHFFFAOYSA-N	201.255	-0.138	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)C(=O)C#CB(O)O	2243350176	WWAONMLOJVKDCT-SNVBAGLBSA-N	219.049	-0.738	50	10	BBGE	
C[C@H](O)C(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396348	LBORIAJHBOCOFM-FXQIFTODSA-N	229.085	-0.485	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2243399601	NYWRXQFNNIDQQJ-NKWVEPMBSA-N	222.053	-0.920	50	10	BBGE	
C[C@H](NC(=O)c1sccc1B(O)O)C(F)F	2243405118	ZWZGUZRYYHYEGU-BYPYZUCNSA-N	249.047	-0.189	50	10	BBGE	
CCON(CC)C(=O)c1ncsc1B(O)O	2243408132	HVHDXJLOKKWROM-UHFFFAOYSA-N	244.081	-0.764	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCCF	2243409217	CZJIKVCGLNXGRS-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CCC2)CCOC1	2243410724	GSUABXLVLZFLTQ-SECBINFHSA-N	227.069	-0.321	50	10	BBGE	
C=C(C)CONC(=O)c1csnc1B(O)O	2243413037	YHABTHSLPARQCZ-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
Cn1ncc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1Cl	2243426115	FAYZZEIXUNWFSD-WHFBIAKZSA-N	243.459	-0.125	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)C(F)F	2243678812	OIHOXXNBVBQABB-UHFFFAOYSA-N	232.954	-0.291	50	10	BBGE	
C#CCC(=O)Nc1ccc(Cl)c(B(O)O)c1	2243686449	MONDFKVBOJLSAD-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
C=C1CCN(C(=O)c2cocc2B(O)O)C1	2244215894	GAKDNQGXRFTAAA-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C[C@H](CN)COc1cc(B(O)O)c(Cl)cn1	2245913168	NFECXTGOFIMURV-ZCFIWIBFSA-N	244.487	-0.612	50	10	BBGE	
CON(C)c1nc2ccc(B(O)O)cc2s1	2246335895	CPIDRUZEKNFGDF-UHFFFAOYSA-N	238.077	-0.026	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1coc(B(O)O)c1	2247731985	BPFIEHKHVVQVEL-HTQZYQBOSA-N	241.027	-0.420	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC(F)CC1	2247736357	VLTLQFPRSWSIEU-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)c1ccccn1	2247737369	FOMOYIWHTKWMJG-SECBINFHSA-N	232.048	-0.683	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ccoc1B(O)O	2247738338	QFYZEKKDGDCSOC-LDYMZIIASA-N	237.064	-0.122	50	10	BBGE	
CO[C@H](C)CCNC(=O)c1occc1B(O)O	2247753334	FSWKAEFPMHYGGX-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C=CC1CC(NC(=O)c2occc2B(O)O)C1	2247756266	NAZOBMOTYOYDHY-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N(C)C1CC1	2247760030	AOSMPYNILWWMIR-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247792268	RVLCNDHFSNECNS-QXEWZRGKSA-N	242.128	-0.271	50	10	BBGE	
O=C(N[C@@H]1CCCC12CNC2)[C@H]1C[C@@H]1B(O)O	2247798792	XGLMIOIYIFVFTK-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804413	GZPXQKPJGVHOAO-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807754	JBEFLCMEGDDKFT-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C=CCN(C)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247810089	UQVAPLNOBCEUFW-UWVGGRQHSA-N	238.096	-0.822	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC12CC(F)(F)C2	2247850315	MTYWXCVIXBBVRZ-SSDOTTSWSA-N	243.018	-0.304	50	10	BBGE	
Cc1coc(NC(=O)c2ccc(B(O)O)o2)n1	2247850500	PCKXCYMEIUMSFF-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CCc1cc(=NC(=O)C2(B(O)O)CCC2)[nH][nH]1	2247852909	BWSBBERYPLXEBM-UHFFFAOYSA-N	237.068	-0.270	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCCCCC1	2247852986	DKADLSQTJIUCSZ-UHFFFAOYSA-N	237.068	-0.894	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ncccc1B(O)O	2247869175	MZZJJAWJXOHCFJ-YUMQZZPRSA-N	234.064	-0.853	50	10	BBGE	
CCC[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2247879375	UDKABDPNVMSSLS-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CC[C@@H](C)CN(C)C(=O)c1n[nH]cc1B(O)O	2247885372	KSVDRNUXQFBUBH-SSDOTTSWSA-N	239.084	-0.792	50	10	BBGE	
CC[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247895454	SQALQJDTJOOJTN-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1N(C)C	2247897058	NNBGUNSNSRKZGK-IMSYWVGJSA-N	240.112	-0.742	50	10	BBGE	
CC(C)[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2247898112	AMOWHTPGEYFOQF-BWZBUEFSSA-N	243.068	-0.535	50	10	BBGE	
CC[C@@H](C)[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248591487	PWKJULJRKHNZIT-SFYZADRCSA-N	241.052	-0.993	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2248708657	RWLYKRXVQMIPII-GXSJLCMTSA-N	236.080	-0.402	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1cc(B(O)O)co1	2249418723	XUABERSYRMOGAV-VIFPVBQESA-N	235.048	-0.368	50	10	BBGE	
CCCNC[C@H](C)Oc1ccc(B(O)O)cn1	2250573888	LWJZZWBFMSQDFN-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2251689628	HXWQJNHILGDWTH-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
N#Cc1cc(NC(=O)C2(B(O)O)CCC2)ncn1	2255456997	WXLHVOYFUFZTMF-UHFFFAOYSA-N	246.035	-0.316	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2CC[C@H]2C1	2255461726	LPIQCWGQTYWERD-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC1CC2(CCC2)C1)c1c[nH]nc1B(O)O	2255549630	HHKMZPBJBZTSMF-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cccc(C)c1B(O)O	2255735016	LGCMPRIUQMXMAL-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1n[nH]cc1B(O)O	2255763029	FKZBXTFCLVXGFB-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2CC[C@H]2C)c1B(O)O	2255787433	ZDMCEGSNZOOMHH-APPZFPTMSA-N	248.091	-0.402	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](N2CCC2)C1	2298368609	OCWUNPHOKYMPEP-LPEHRKFASA-N	238.096	-0.844	50	10	BBGE	
CN(CC[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298370458	ZEDHASDSVSPPBJ-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2[C@H](O)C[C@H]2C1)C(=O)NN	2303420282	SPWADTVSCHPUIX-BTQIBKBOSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1COCCN([C@@H](C(=O)NN)C(C)C)C1	2306798484	FTWWJMAWRAQANB-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@@H](N)C1	2317150550	GSCCVHUWZCBACC-GHMZBOCLSA-N	246.075	-0.503	50	10	BBGE	
C[C@H](C#N)CN(C)c1ccc(B(O)O)cc1C#N	2317156009	TZTGXLBLTVPGFX-SECBINFHSA-N	243.075	-0.166	50	10	BBGE	
COC(=O)CSC[C@@H]1CC[C@H](C(=O)NN)O1	82472455	ZQMNQUPDUHVVJL-NKWVEPMBSA-N	248.304	-0.570	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1Cc2ccccc2O1	83590722	JWBYUISYPCIXEK-MRVPVSSYSA-N	237.284	-0.146	50	10	BBGE	
N#C[C@H]1CN(C(=O)NC(=O)CCl)CCO1	86656951	LVHPUPLKCRRIMX-LURJTMIESA-N	231.639	-0.314	50	10	BBGE	
C[C@@H]1CN2CCC[C@@H]2CN1CC(=O)NN	86933481	YRUIWDIZLUKDON-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCCS1	87686319	SNEDUDCVJUWJEU-ZCFIWIBFSA-N	217.294	-0.622	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCCC[C@@H]2C1	94444408	NUKRPSBTQZJLMZ-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CN(C)/C=C(/C#N)[C@@](O)(NN)C(F)(F)F	100258026	LYYDRFAHKXBQKD-XSIKTDMUSA-N	224.186	-0.330	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)CCS1	133231480	MPIGPESUVSKXMB-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCCN1C1CCNCC1	147307688	NXDBDAHXSKPSRF-LLVKDONJSA-N	240.351	-0.204	50	10	BBGE	
O=C(CNC1CCCC1)N1CCC[C@H]1B(O)O	170068380	FWAIOMYEQWSGSO-JTQLQIEISA-N	240.112	-0.478	50	10	BBGE	
COc1ccc(Cn2ccnc2)cc1B(O)O	199005486	APOTVPFVKNHDDS-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
Cc1cc2n[nH]c(=O)n2c2cc(B(O)O)ccc12	201499565	RXGMMOQLULZAFT-UHFFFAOYSA-N	243.031	-0.836	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC(N)=O)C(C)C	211750518	SCDHZXUBVPNHDR-QMMMGPOBSA-N	230.312	-0.659	50	10	BBGE	
C[C@@H](C[S@](C)=O)N1CC(=O)OC(=O)C1	229064687	FICWJODMAKUTPJ-MDAAJZPYSA-N	219.262	-0.861	50	10	BBGE	
C=C[Si](OC)(OCCN)OCCN	238434641	SQFONPBAMGYHCD-UHFFFAOYSA-N	206.318	-0.753	50	10	BBGE	
[C-]#[N+]C1=C[C@](O)([C@H](C)O)[C@@H](O)[C@@H]1Cl	238480245	CPHWWEVFVFERCX-UCVXFZOQSA-N	203.625	-0.117	50	10	BBGE	
C[C@H](O)CCN(C)[C@H](C)[C@@H](C)C(=O)NN	253034638	VSCZDMYFFXSNHS-DJLDLDEBSA-N	217.313	-0.296	50	10	BBGE	
COc1ccc(C[C@H](N)C(=O)N(C)N)cc1	259180997	XDICLWUDFVPACS-JTQLQIEISA-N	223.276	-0.103	50	10	BBGE	
CCN1CCN([C@H](COC)C(=O)NN)C[C@@H]1C	300021458	VBQIMSVUWGJZOY-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CC[C@H]1CN([C@H](COC)C(=O)NN)CCCO1	310028276	YBMXXTNWJMUFHF-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC[C@]1(NCC(=O)NNC(C)=O)CCOC1	381563931	SJQREHVKGREFPP-JTQLQIEISA-N	229.280	-0.688	50	10	BBGE	
CC1(O)CN(Cc2occc2C(=O)NN)C1	384080020	YBISXKJEWFUUEK-UHFFFAOYSA-N	225.248	-0.550	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCCCO	384822778	OQDDBJJFKYMEKX-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
COC(=O)CSCc1nc(C(=O)NN)co1	395387866	WIQSSIBQCBQZHQ-UHFFFAOYSA-N	245.260	-0.316	50	10	BBGE	
N#CCCc1c(C=O)cccc1B(O)O	396050029	JVTYAGUTDRKJGZ-UHFFFAOYSA-N	203.006	-0.365	50	10	BBGE	
N#Cc1sc2c(B(O)O)cccc2c1CO	396224858	PHQRILMMHKBBKW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc2cc(C=O)sc2c1B(O)O	396280147	YHXQTICCBFGROL-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc2c(O)csc2cc1B(O)O	396348952	UVOPNFVTFNQQPX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1C[C@H](CN2CC(=O)OC(=O)C2)CN1C	396633147	GQAGAZCNLACMQB-IUCAKERBSA-N	226.276	-0.288	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398654797	BSZHTDGQCGDJRH-SNVBAGLBSA-N	240.351	-0.362	50	10	BBGE	
C[S@](=O)CCN[C@@H]1COC[C@@H]1Cl	400645407	QRTBOOWYXPWKLS-KJNMHVQDSA-N	211.714	-0.039	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)cc1	404996184	GSJBCFNWPYLWLS-CQSZACIVSA-N	213.067	-0.538	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)NNC(N)=S	606283033	GRIYKDMRLKLPGZ-UHFFFAOYSA-N	213.266	-0.495	50	10	BBGE	
C[C@H](CO)CN(C)CC(C)(C)C(=O)NN	688394418	HIYQXDZIUXRUKT-QMMMGPOBSA-N	217.313	-0.437	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(C#N)CC1	693913775	YXVPKRRLYOHDAA-VIFPVBQESA-N	210.281	-0.010	50	10	BBGE	
O=C(/C=C\c1ccccc1F)NCB(O)O	702022074	OPAWWDDQESKDKO-WAYWQWQTSA-N	223.012	-0.033	50	10	BBGE	
N#Cc1ccc(/C=C/C(=O)NCB(O)O)cc1	702031734	CFZCGFAVVSNORU-AATRIKPKSA-N	230.032	-0.300	50	10	BBGE	
CCC[C@H](CNC(=O)C(=O)NN)OCC	705368650	MJBANRYSLHGJPF-SSDOTTSWSA-N	217.269	-0.702	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H]1CO	708125459	YZTWGQKYPBUEDK-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
CCN1CC[C@H](NC(=O)NC(=O)CCl)C1=O	708608274	AKLVDGIOFOAAOS-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
NNC(=O)c1cc(COCCOC2CC2)on1	711947777	QWURSAXWGBQWEF-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1CC(CO)C2)C(=O)NN	719153901	DMSBEVLPYOKYID-MIMYLULJSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCB(O)O)C1=CN=C2C=CCC=C12	725669313	CKIACRITUQGHBU-UHFFFAOYSA-N	218.021	-0.661	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCOC1)c1cc[nH]n1	818394803	DLUVYYHLGSYEID-SSDOTTSWSA-N	238.247	-0.403	50	10	BBGE	
CCn1cc(C=NNC(=O)c2cn(C)nn2)cn1	853386881	VUSNKHPNBGLKIJ-UHFFFAOYSA-N	247.262	-0.205	50	10	BBGE	
Cc1nnc(NNC(=O)COC(F)F)n1C	856047660	AMWAVWUTOUIQMH-UHFFFAOYSA-N	235.194	-0.194	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)[C@H]1COCCO1	857318169	XGNMFFBMMWKKOG-SECBINFHSA-N	241.222	-0.499	50	10	BBGE	
O=C(COCC(F)F)NNC(=O)c1cc[nH]n1	862168248	RPNBFXWFLUNBKL-UHFFFAOYSA-N	248.189	-0.548	50	10	BBGE	
C[C@@H]1CSCCCN1C(=O)C(=O)NN	886034255	FSNDKWQLVWLYBS-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)NCC	1136416490	SMLYSFOJHBIBCY-VIFPVBQESA-N	215.253	-0.336	50	10	BBGE	
CNC(=S)N(C)NC(=O)C[C@H]1COC(=O)C1	1468751425	SPANIWGYZKRUPT-ZCFIWIBFSA-N	245.304	-0.593	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2[nH]ccc2n1	1558958662	LYIMVOPDXRJXQI-UHFFFAOYSA-N	234.215	-0.684	50	10	BBGE	
CCNC(=O)CC(=O)NN(C)CCOC	1627336524	MHMQANMTIUJKPR-UHFFFAOYSA-N	217.269	-0.878	50	10	BBGE	
COC(=O)NNC(=O)COCc1cc(C)on1	1641087913	MVUTVDOUXUIKDV-UHFFFAOYSA-N	243.219	-0.113	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)[C@@H]1CCC(=O)N1	1641312103	AJEKKPFXZFOLKW-RTMURIBGSA-N	237.259	-0.455	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1883635241	UQELBWSJHNYITJ-YUPRTTJUSA-N	204.613	-0.840	50	10	BBGE	
C[C@]1(CNC(=O)CCl)CCNC1=O	1883942981	RLZDRROXIYAEEI-MRVPVSSYSA-N	204.657	-0.132	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@H]1[C@@H](O)CO	1885377688	DZNQKBNKCFDESG-CIUDSAMLSA-N	218.684	-0.065	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)CC(=O)NN)C1	1887045454	TXPOSYUKWNMPGA-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CP(C)(=O)CCN1CC(=O)OC(=O)C1	1890941572	HFBMMXICFBXLRN-UHFFFAOYSA-N	219.177	-0.006	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc(F)ccc1=O	1893840659	UZILLLKDTWNHLK-LURJTMIESA-N	213.212	-0.072	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@H]1F	1900251297	DNCKDYNKBITZLE-XAMCCFCMSA-N	231.032	-0.955	50	10	BBGE	
C[C@H](OCc1nnn2c1CCC2)C(=O)NN	1901091351	ZOJVUGQURRXEKJ-LURJTMIESA-N	225.252	-0.881	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(C)=C1CNC1	1901375691	PJODHBFYJKAWHS-UHFFFAOYSA-N	247.320	-0.781	50	10	BBGE	
N=C(C[C@H](O)CNC[C@H]1C[C@H]1Cl)NO	1903813242	CAKRTKNIAVHFNT-DSYKOEDSSA-N	221.688	-0.090	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1	1907004534	JHNCZVOBGHIQAD-NWDGAFQWSA-N	233.076	-0.661	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC12CC(CO1)C2	1909711358	SPHSLSIGISFEKH-MBPTXSFVSA-N	239.319	-0.277	50	10	BBGE	
CN(CCCC(=O)NN)CC1(CO)CC1	1915532776	VIOLBSZKIYIOCP-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
CC1(F)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1930280265	ZDPUIWCWOCHUGB-BQBZGAKWSA-N	201.245	-0.344	50	10	BBGE	
CN(CC[S@@](C)=O)CC1(C(=O)NN)CC1	1931265798	VQSVUAKELACEOT-OAHLLOKOSA-N	233.337	-0.933	50	10	BBGE	
CN1C[C@H](O)[C@@H](N2C[C@](C)(CCl)C2=O)C1	1931726049	ONZZPLNYJMWTDI-NRPADANISA-N	232.711	-0.251	50	10	BBGE	
C[C@@]1(CO)CCN1S(=O)(=O)CCl	1932960681	KCMVMCXCQUREML-LURJTMIESA-N	213.686	-0.031	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCCO1	1937141829	YMMQEHOPWTYLAP-UHFFFAOYSA-N	221.065	-0.188	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@@H]2CCC[C@H]21	1937413924	CYJVBJXQNZBPQY-JQCXWYLXSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13	1940824581	IRJRXDXURLNQBB-RFOGZPIASA-N	239.275	-0.950	50	10	BBGE	
CN1CC(N(C)Cc2ccccc2B(O)O)C1	1941728526	DAXATKNTXAZUGT-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](OC)C2(CC2)C1	1944722571	DAPFWHYDUGEEEH-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)CC[C@H]1CO	1946679307	VEPBJSXMPVNCTN-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
COC(=O)c1ncccc1[C@H](N)[C@H](O)C#N	1953032338	YQYOKVQMIVLGET-SFYZADRCSA-N	221.216	-0.248	50	10	BBGE	
CC[C@@H](Cl)C(=O)N(C)CCS(N)(=O)=O	1955569275	MPQGBJXZRZUIQD-ZCFIWIBFSA-N	242.728	-0.249	50	10	BBGE	
CCCN(C(=O)NN)[C@H]1CCNC1=O	1956855203	KLLGIZSDIWYCOD-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
CP1(=O)CCN(CCC(=O)NN)CC1	1956892079	SIOQRSOLDQZQTH-UHFFFAOYSA-N	219.225	-0.325	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	1958793346	LMGVDMNEBKICCA-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(C)(C)F	1960452260	MUUHYMYQWFRGGB-SSDOTTSWSA-N	221.276	-0.329	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](O)C(C)C	1960661980	AXYLDTFRMAZOIO-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1N(C)CC(=O)NN	1961284654	HZBFPIPIUYWGSK-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(=O)NN)CCN1C	1961290161	FXEJPIDDKBWVPY-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1961773857	KDSWIVVREALUTP-KRBWIIOGSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)N1CC(O)(c2ccccn2)C1	1974939266	XOQJZKBKSCIYKZ-UHFFFAOYSA-N	208.221	-0.832	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN([C@H](C)CC(=O)NN)C1	1976441013	LEHXOVVWCCKKGV-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	1976901570	CMOXPUCOHYFISQ-XVKPBYJWSA-N	248.710	-0.157	50	10	BBGE	
CS[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	1981416630	QVQVJDKISYZLAV-MRVPVSSYSA-N	239.109	-0.902	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccncc2B(O)O)CO1	1981430534	PEUCDDYGCMHBLD-HTQZYQBOSA-N	223.037	-0.682	50	10	BBGE	
CN(C)CCOC[C@@H]1CC[C@@H](C(=O)NN)O1	1982817833	APJCANYWGPGXBS-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(O)CCCCC1	1986955500	ZREORHAAFMVVEJ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C(COC1CCCC1)NCC=CB(O)O	1991329858	JZUPPAVSVJBEMX-UHFFFAOYSA-N	227.069	-0.370	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@@H](O)[C@H](CO)C1	1991650978	QFINCFKDARVGCU-JGVFFNPUSA-N	247.678	-0.490	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1[C@H]2CO	1994019643	ICPYPYDGQXFPMK-CIQUZCHMSA-N	227.308	-0.687	50	10	BBGE	
C[C@@]1(CCO)CCN1CCCCC(=O)NN	1994707308	NZNKMBWOARXYCQ-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1995925332	DTXBLDPJVIHGDF-MWLCHTKSSA-N	247.314	-0.203	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C(=O)NC(C)C)C1	2002652086	KLVNBTSZGJWYLE-VIFPVBQESA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCOC1	2004392327	BYIATEIHMVNPQP-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1cnn(C)n1	2004800803	NFOJZUUCZFTYOM-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1(F)CCCC1	2008840049	GLCNEBNIIAJHRF-UHFFFAOYSA-N	239.055	-0.190	50	10	BBGE	
NNC(=O)C1CCN(C(=O)COCCF)CC1	2011747500	VPJGRNWOYAPMTJ-UHFFFAOYSA-N	247.270	-0.799	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2017285850	KWZAVTXHVDSGAM-QMSLJYSESA-N	249.261	-0.564	50	10	BBGE	
CCc1nc(C(=O)NCC#CB(O)O)c(C)o1	2021107748	WHQBVUYBRUFIDH-UHFFFAOYSA-N	236.036	-0.709	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncncc2B(O)O)CCO1	2025211318	GXHXBDBQUTZQDK-YUMQZZPRSA-N	238.052	-0.897	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1ccncn1	2029097848	KURBWZABRKQLMT-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1cc(Cn2nc(C)c(B(O)O)c2C)ncn1	2029103198	ZHNGPNGYYGZPHO-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
CCOc1cnn(-c2ncc(B(O)O)c(C)n2)c1	2052598309	XXBORMWTBNJFEY-UHFFFAOYSA-N	248.051	-0.951	50	10	BBGE	
Cc1cnc(N2C[C@H]3COCC[C@H]32)c(B(O)O)c1	2073043282	NFSAXFVIHIHAMG-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)c1ccccc1B(O)O	2079010685	SDUWFYRTBAFWNX-KCJUWKMLSA-N	249.075	-0.726	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CC[C@H]21	2079010959	WXJCRDJVOFCHBK-BXKDBHETSA-N	245.087	-0.009	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@@H]1C[C@H]1Cl	2208662101	UHBKTPFPSJRBLU-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
C[S@@](=O)Nc1ccc(Cl)c(B(O)O)n1	2210098418	DZRTZDNBKCCQSY-CQSZACIVSA-N	234.473	-0.880	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](CCCO)C1	2210533770	MFMXBPXYNFFLBG-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
CN(C)CCCOCc1cc(B(O)O)cs1	2211078254	KHHQLNILOWAGBE-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CNCCCSc1nccc(B(O)O)c1F	2212600464	VWOBKIDKSVTPHJ-UHFFFAOYSA-N	244.100	-0.398	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3C[C@@H]3C2)c1	2212600692	FLKQELDEJQVRJO-DIYOJNKTSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C=CCCC2)nc1	2212604598	XRHWCLIBZCMMST-SECBINFHSA-N	219.053	-0.323	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2212613185	SZBLTJMFRQDBCQ-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2213954797	LMOMWHKAYBLNFJ-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)C2(F)F	2217063674	VXTMOHIWQDCLDO-KNVOCYPGSA-N	247.245	-0.130	50	10	BBGE	
CC(C)[C@H](O)CN(C)c1ncccc1B(O)O	2217183001	ICDOQKAZMGJLPL-SNVBAGLBSA-N	238.096	-0.786	50	10	BBGE	
CC[C@@H](C)[C@H](N)COc1cc(B(O)O)ccn1	2217194474	WQFUPEDCUCWXTO-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
CC[C@@]1(O)CCN(c2cc(B(O)O)ccn2)C1	2217197032	JZHMCZJVKVPOPB-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217198009	UZRFLERIDCFIKP-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
CC(C)CN(CCO)c1cc(B(O)O)ccn1	2217199307	LLTKMIVQQUMNCY-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1Nc1ncc(B(O)O)cn1	2217202680	YRKKWFRCGORSLH-XCWAXFADSA-N	233.080	-0.387	50	10	BBGE	
CO[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217203940	CFVQGPRWCFFSNM-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
NC[C@H]1CCCCN1Cc1cccc(B(O)O)c1	2220061052	ADXSHHRYISVSPQ-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
Cc1cnc(NC2(C)CCNCC2)cc1B(O)O	2223642317	HSJLQPKTINSMPA-UHFFFAOYSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)c1	2223662165	SMWSQOZNVRREOD-VEWYJCLLSA-N	243.071	-0.350	50	10	BBGE	
Cn1ccc(CCNc2cc(B(O)O)ccn2)n1	2223669722	NQFSOGNZQPBGNZ-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
OB(O)c1cccnc1N1CC=CCC12COC2	2223679735	TZVKJQUTGOKUBX-UHFFFAOYSA-N	246.075	-0.703	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(CC2)C1	2243349028	DQPKBHZVJGDUJA-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
Cc1ccc(CCNC(=O)C#CB(O)O)o1	2243357038	QHSCCDDTGCBRSX-UHFFFAOYSA-N	221.021	-0.738	50	10	BBGE	
C=C1CC(NC(=O)c2ccsc2B(O)O)C1	2243359665	VYPIOBJOFUGCAG-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@H](F)C1	2243376437	KAVYYELWQSHZLH-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2243398993	IQGWTJSPMHRLFQ-LHLIQPBNSA-N	222.053	-0.777	50	10	BBGE	
C=C(CC)CNC(=O)c1cc(B(O)O)co1	2244220767	HVBZORHIIRZHTQ-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
COCC[C@H](C)C(=O)NCCC#CB(O)O	2244549219	ZUZVLNGPNDUAJI-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)c(Cl)cn2)cn1	2245908069	LFWLJIBZLNSQAK-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC2(CC2)C1	2247738341	QHYKXIZYTJFELW-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccc(B(O)O)o1	2247741073	UIDSKVNVMHDJSA-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
O=C(NC[C@H]1C[C@]12CCOC2)C1(B(O)O)CC1	2247751468	YCIDTZRKFAHRDC-SCZZXKLOSA-N	239.080	-0.464	50	10	BBGE	
C[C@H]1CCC[C@@]1(O)CNC(=O)C1(B(O)O)CC1	2247754925	NXZWEFBDXJHBRY-GZMMTYOYSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758406	ZEJGMZJJRKBNFN-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786660	DUUMEIACZYWWTC-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787522	QEZWADFDFSVDMD-QCLAVDOMSA-N	241.096	-0.341	50	10	BBGE	
CC[C@@H](C)NC(=O)c1nccc(C)c1B(O)O	2247790950	IIRLINIDVLANQH-MRVPVSSYSA-N	236.080	-0.402	50	10	BBGE	
CC[C@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCCNC1	2247792649	UESXLJPHGDYYPH-YWVKMMECSA-N	240.112	-0.502	50	10	BBGE	
C[C@@]1(CNC(=O)C2CC(B(O)O)C2)CCCO1	2247796550	AQMCNHCJXAJGTQ-AMUVOQDHSA-N	241.096	-0.075	50	10	BBGE	
C#CCN(CCC)C(=O)c1coc(B(O)O)c1	2247853477	MRJMWRQJPRQGOZ-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
CC(C)C1CN(C(=O)c2cc(B(O)O)co2)C1	2249411820	UITDELARKLGFII-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
CCC1(CNC(=O)c2cocc2B(O)O)CC1	2249416196	ODCSMZVXKDYPQC-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2249999042	QPPCAHRMYAYFSA-HHKYUTTNSA-N	233.076	-0.590	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H](CO)c1ccccc1	2253319850	PVGQHQNISSUNLO-VIFPVBQESA-N	237.259	-0.832	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccncc1B(O)O	2255452962	CZFPMNSRJBFFTB-VROVMSAKSA-N	246.075	-0.710	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C(C)(C)C	2255457383	BWRRTHZTDZLHRO-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1[C@@H]2CCC[C@@H]12	2255467223	JWNNSFMILVHDAW-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
C#CCCCCCNC(=O)c1occc1B(O)O	2255492635	OEECAHFKPAVHFH-UHFFFAOYSA-N	249.075	-0.117	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@@H](C)[C@@H]2C)n1	2255492656	OIXQSWMZRKJKIX-APPZFPTMSA-N	248.091	-0.450	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1ncc[nH]1	2255514702	MMHXBFBKXRBDEQ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2CC[C@H]2C1	2255520380	JXTJVXZPSNSUNB-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1ccc(B(O)O)cn1	2255532564	VAGPDLYLZKCYPA-JTQLQIEISA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@@]12CCCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255671737	WGURKOSEMMVWKG-PRHODGIISA-N	248.091	-0.243	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)c[nH]2)CC=CCC1	2255679401	LDQDJWGJJYOOOO-LBPRGKRZSA-N	248.091	-0.077	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1ccoc1B(O)O	2255715120	AVQRHGWKNNIDJR-PSASIEDQSA-N	249.075	-0.122	50	10	BBGE	
CCN(CC1CC1)C(=O)c1nccnc1B(O)O	2256067791	TUZYXQXCIXQKFB-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2298368481	HMHHUDAIFNJZDR-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376786	OMNVAPWIMPVVBR-JLIMGVALSA-N	241.096	-0.389	50	10	BBGE	
CN1CC[C@H]1COCc1cccc(B(O)O)c1	2299046141	IAINOSIRUXWMJV-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
CN1CCC[C@@H]2CCN(CCC(=O)NN)C[C@@H]21	2299137368	PRTZNBIDDCUZAP-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
O=C(NC[C@@H]1CNCC12CC2)C1(B(O)O)CC1	2299726112	HNLYVMICZIDYDN-QMMMGPOBSA-N	238.096	-0.891	50	10	BBGE	
C[C@@H](COc1cccnc1[N+](=O)[O-])C(=O)NN	2301607208	BXMVYZASIIOFDE-LURJTMIESA-N	240.219	-0.005	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1cc(B(O)O)c(F)cn1	2303835837	CXHFYXZPUFRFOA-NKWVEPMBSA-N	242.034	-0.163	50	10	BBGE	
C#CCCN(CC)c1cc(B(O)O)c(F)cn1	2303847147	DNALTEYTDUFJPZ-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H](N)[C@H]3C[C@@H]23)CC1	2309192994	NCGIUSFKQIMHMD-RCWTZXSCSA-N	249.314	-0.153	50	10	BBGE	
OC[C@H]1C[C@H](Nc2ncccc2B(O)O)[C@@H]2C[C@H]12	2312614503	RMUWSASUSVYRQY-CDLYGTGVSA-N	248.091	-0.810	50	10	BBGE	
C#CCOC(=O)Nc1ccc(OC)c(B(O)O)c1	2317484873	OLSJVHGGJSXAMJ-UHFFFAOYSA-N	249.031	-0.443	50	10	BBGE	
COC(=O)CCSC/C=N/NC(N)=O	39651187	MBAAPCPCTKQLKR-YCRREMRBSA-N	219.266	-0.063	50	10	BBGE	
CO[C@@H](CCl)c1c[nH]c(=O)[nH]c1=O	58569329	IBEOHNJVKMQYEE-YFKPBYRVSA-N	204.613	-0.011	50	10	BBGE	
NNC(=O)CN1CCNc2ccccc21	76894045	POGGHKCTRNWMGZ-UHFFFAOYSA-N	206.249	-0.092	50	10	BBGE	
CN(C)Cc1ncc(C(=O)NN)s1	82417905	QIBAAIAOBVMSKS-UHFFFAOYSA-N	200.267	-0.192	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@@H](C)CC(=O)NN	82470150	XPESIMRJNMSYAD-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
NNC(=O)CCCSc1nccc(=O)[nH]1	82472227	HKZJOKXZOMQNRC-UHFFFAOYSA-N	228.277	-0.368	50	10	BBGE	
O=C(CBr)C[C@H](O)C(=O)O	118613271	WKNWPCGPLIWHMY-BYPYZUCNSA-N	211.011	-0.214	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)CCCCl	130226269	QOBQSOWOVVHXIO-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
NNC(=O)N1CCC(OCCO)CC1	132366146	FKNTZYYIRFUTHK-UHFFFAOYSA-N	203.242	-0.957	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCC[C@@H]3C2)CC(=O)O1	158875681	BECSQIHSIXWVJX-NXEZZACHSA-N	238.287	-0.001	50	10	BBGE	
CC(C)(CN1CC[C@H](CO)C1)C(=O)NN	166152330	ZFZLCDCUANQRJR-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
O=C([C@@H]1CCCCN1)N1CCC[C@@H]1B(O)O	195919447	YCLNNZMXERPEFT-DTWKUNHWSA-N	226.085	-0.869	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCN1C	252579045	MUPASKMSESLBQJ-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
COC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N1	306504425	YVFXXGHNDLUSBM-UHNVWZDZSA-N	236.318	-0.634	50	10	BBGE	
NNc1ccc(CBr)cc1B(O)O	306566278	SCVKDAWCNBIAIG-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(O)C1	307756316	HPMMPNICCCQLLF-SSDOTTSWSA-N	201.270	-0.933	50	10	BBGE	
CC(=O)NCCN(C)C(=O)CBr	308137362	JCRNGXIIEPGXON-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
CCOC(=O)C[C@H](Cl)[C@H](N)C(=O)NO	308488176	OHARTBBRCGNTSP-NJGYIYPDSA-N	224.644	-0.620	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H](C)C(=O)NN)[C@@H]1C	380338113	IZUITVKBXZLYMR-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CO[C@H](C)CN(C)C[C@@H](C)C(=O)NN	389295180	FUXYUIPCCMAJMJ-HTQZYQBOSA-N	203.286	-0.421	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)c1cn[nH]c1	390582245	XDEJLRDIXKGSDH-ZCFIWIBFSA-N	225.252	-0.772	50	10	BBGE	
CN1C[C@H](NC(=O)CCCCCl)C(=O)N1	393895991	KCHALDQFMKWTBZ-ZETCQYMHSA-N	233.699	-0.143	50	10	BBGE	
CC(C)(CCN1C(=O)CCC1=O)C(=O)NN	395969377	MJJPDAVMLOSFDO-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
C#CCOC(=O)Nc1ccc(C)c(B(O)O)c1	405061588	DHSJDVRJVFBRDM-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(=O)OC	493579448	IQTFMESXLNSOBN-UHFFFAOYSA-N	225.270	-0.566	50	10	BBGE	
CSc1cc(O)c(B(O)O)c(F)c1	575706497	XQIYDHSDNQKYQQ-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NCc1ccccc1B(O)O	585037824	KZYCUAVJDDNYCH-MFKMUULPSA-N	249.119	-0.119	50	10	BBGE	
CCOC(=O)C(C)(C)[S@](=O)CC(=O)NN	586372638	DWKWTKGZUUJPKX-OAHLLOKOSA-N	236.293	-0.933	50	10	BBGE	
C#C[C@@H](CO)NC(=O)CBr	642847386	GUZGKDZKKGMLBI-YFKPBYRVSA-N	206.039	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)C(O)[C@H](C)C1	688122539	RNRWSHPDDSSHHG-IWSPIJDZSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CO)CN(C)CCCC(=O)NN	688386454	GBTNBRKQZJQUSA-QMMMGPOBSA-N	203.286	-0.683	50	10	BBGE	
C[C@H](CO)CN(C)[C@H](C)[C@H](C)C(=O)NN	688395202	NKLGLCMRRVCCEU-XHNCKOQMSA-N	217.313	-0.439	50	10	BBGE	
CS(=O)(=O)NCCNC(=O)OCCl	692864284	SBMNDLVFPOMTMD-UHFFFAOYSA-N	230.673	-0.542	50	10	BBGE	
CO[C@@H](Cn1cc(B(O)O)cn1)C(C)C	694529988	AKWHGGBGLZVWSA-VIFPVBQESA-N	212.058	-0.766	50	10	BBGE	
CC[C@H](C)n1ccc(Cn2cc(B(O)O)cn2)n1	694535689	NZPLETRAMALLQN-VIFPVBQESA-N	248.095	-0.221	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)n1cc(C(N)=O)cn1	695063757	VVHKGUFVOPBPJE-MRVPVSSYSA-N	239.279	-0.441	50	10	BBGE	
COC[C@@H](COCC(C)(C)C(=O)NN)OC	695710669	PZGPKJJQHKSQLY-QMMMGPOBSA-N	234.296	-0.320	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CCl	698229604	SDPQWDVTPMSXCA-RNJXMRFFSA-N	209.673	-0.986	50	10	BBGE	
NC(=S)NNC(=O)c1cn2ccccc2n1	700865764	NRYHYDXLJQEATG-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@H]2C[C@@H]21	707083311	BIJMCPAZQLLACT-CABZTGNLSA-N	247.103	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(n2ccnc2)C1	707389928	YDFABVXCVHBHGA-IUCAKERBSA-N	237.307	-0.246	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)CCC(=O)NN)CO1	711147069	NXQNXCLXARUCIH-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C=C[C](Cl)S1	725598493	QSFCDSFROPAZLC-SCSAIBSYSA-N	220.466	-0.486	50	10	BBGE	
CS/C=C\C(=O)NNC(=O)c1cnn[nH]1	751576603	COBMHCVHAVXBCA-IHWYPQMZSA-N	227.249	-0.558	50	10	BBGE	
CS(=O)(=O)NNC(=O)[C@@H]1CCCS1	818054695	UORQXDOMBCLJCI-YFKPBYRVSA-N	224.307	-0.538	50	10	BBGE	
COC1(C(=O)NNC(=O)c2ncccn2)CC1	843607301	YVAMQRYMVRAOQD-UHFFFAOYSA-N	236.231	-0.583	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1nnc(C)n1C	856045635	FKSYBJQCDDXVTC-ZCFIWIBFSA-N	211.225	-0.886	50	10	BBGE	
NS(=O)(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	885702330	KLTKJFLWPMOHTL-SCDXWVJYSA-N	241.110	-0.485	50	10	BBGE	
CC(=O)NNC(=O)[C@]1(O)CCSC1	1290392236	SSHXDYIIDNAARR-ZETCQYMHSA-N	204.251	-0.978	50	10	BBGE	
CNC(=O)NNC(=O)Cn1ncc2cccnc21	1292010358	KCZJKPJIIIIZNQ-UHFFFAOYSA-N	248.246	-0.609	50	10	BBGE	
Cn1c2c(ccc1=O)[C@@H](NC(=O)NN)CCC2	1328730719	QFYUJUFNQNQANG-QMMMGPOBSA-N	236.275	-0.064	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)c1ccnnc1	1451685511	UWVRDTROZXKOAL-ZCFIWIBFSA-N	219.204	-0.603	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1cccnn1	1455247084	DRYNFUZKSXUOQV-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)c1cccnn1	1558130480	BVLLEYKFIUXHFK-SSDOTTSWSA-N	233.231	-0.213	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1ncccn1	1570440766	QPGLBEPLOXVXDF-DAXSKMNVSA-N	236.231	-0.212	50	10	BBGE	
CN(NC(=O)CC(N)=O)c1ccccn1	1645749695	IXQLCTVOGIBQJT-UHFFFAOYSA-N	208.221	-0.576	50	10	BBGE	
C[C@]1(O)CN(C(=O)CCl)CC[C@@]1(C)O	1877270190	WIQYQRWYSQIGJL-BDAKNGLRSA-N	221.684	-0.041	50	10	BBGE	
N[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1877521789	XBMZRSDAANHRQN-XUTVFYLZSA-N	218.684	-0.154	50	10	BBGE	
O=S(=O)(NCC#CCCl)C1COC1	1881931218	AHJYQXRQAUIFIB-UHFFFAOYSA-N	223.681	-0.453	50	10	BBGE	
O=S1(=O)CC[C@H](CNOCCCl)N1	1883009714	CQVJVTAXVDAIFB-ZCFIWIBFSA-N	228.701	-0.562	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2COC[C@H]21	1883211096	SMSZNTAELZMHCZ-RNFRBKRXSA-N	205.641	-0.149	50	10	BBGE	
NC(=O)C1(N)CN(C[C@H]2C[C@H]2Br)C1	1883558627	SFVIQBZKXZJWMB-PHDIDXHHSA-N	248.124	-0.732	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)CCl	1884852814	LBTSKUVFTSEXDM-BQBZGAKWSA-N	243.712	-0.142	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@H]2COC[C@H]21	1887850454	NVUVCRPKNSEDMT-XHNCKOQMSA-N	215.684	-0.210	50	10	BBGE	
CC[C@H](S)C(=O)NN(C)S(C)(=O)=O	1888572069	PJWVDKAFOWYXCD-YFKPBYRVSA-N	226.323	-0.383	50	10	BBGE	
C[C@@H](COC[C@H]1CCOC1)C(=O)NN	1888708948	YSQBXMGCOUUPFD-YUMQZZPRSA-N	202.254	-0.335	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@]2(CO)C1)C(=O)NN	1894666847	RGIZPIFRRGWVNH-GZMMTYOYSA-N	227.308	-0.683	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)CCCl)C[C@H]1O	1894992337	OZWGLEHTBJJVML-VXNVDRBHSA-N	221.684	-0.041	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)C1COC1	1895941369	QCHIRYIRYRDSBN-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CN(NC(=O)[C@@H]1CNC12CCC2)S(C)(=O)=O	1901374773	GPWWTYDUADMANJ-ZETCQYMHSA-N	247.320	-0.949	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H](N)C[C@H]1C2)S(C)(=O)=O	1901375932	SYJCYHPKCVMOBD-LKEWCRSYSA-N	247.320	-0.964	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2OC	1901880136	VEWGMFIAYQGNQH-XFWSIPNHSA-N	227.308	-0.136	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1S(=O)(=O)N1CC[C@H](B(O)O)C1	1902514865	YRMHHBRNFNXSLB-UYXSQOIJSA-N	247.125	-0.481	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1902521047	FETXDYPHDIWKGK-XHNCKOQMSA-N	227.069	-0.656	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1906989852	LJEJQACZFWUGSY-PTRXPTGYSA-N	241.335	-0.152	50	10	BBGE	
CNC(=O)CN(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1908363324	BVBLTCAQYGIPAU-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@]1(C)O	1909659440	LLUGQDLBQOCFQS-KLBPJQLPSA-N	241.335	-0.295	50	10	BBGE	
COC[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1=O	1912291954	AMEAHYMIJSFBLL-BDAKNGLRSA-N	243.307	-0.503	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2CCC[C@H]21)C(=O)NN	1912296601	KRXVEHLTWOVPJJ-BWZBUEFSSA-N	211.265	-0.377	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@]12CCC[C@H]1C2	1913605441	IXHWQLQNIFINCO-UFBFGSQYSA-N	246.075	-0.110	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCOC1CC1	1914552156	PAWNKQVLGFLDSG-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1CC(O)C1	1914574639	NMGZCGZFJRRXRD-UHFFFAOYSA-N	215.297	-0.542	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@H](OCC(N)=O)C1	1928133304	SPNFXKDMIVAPNM-SFYZADRCSA-N	231.683	-0.306	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@]2(CO)C1	1928556101	CXFUOGJDFODHFP-PSASIEDQSA-N	213.281	-0.929	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)NN(C)C	1929115046	JLJCGLQEIXYPOY-LURJTMIESA-N	201.226	-0.209	50	10	BBGE	
Cn1ncc(CNC(=O)NN)c1Cl	1930877737	AHZRUHSXUYSPOV-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]2C1=O)C(=O)NN	1935422446	IODKUEPIHQIVLI-BWZBUEFSSA-N	211.265	-0.519	50	10	BBGE	
NNC(=O)COCCSc1ccc(N)cn1	1936525922	JIIKZANLGCQPAS-UHFFFAOYSA-N	242.304	-0.238	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1937550008	YTIDZHYBQJHXTR-ONGXEEELSA-N	228.340	-0.219	50	10	BBGE	
Cc1cccn(CC2(C(=O)NN)CC2)c1=O	1938260717	UUFRTYZLIUOKOQ-UHFFFAOYSA-N	221.260	-0.073	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@@H]1COCCO1	1940290563	BXJCDFOPUCXDPT-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@@]1(CO)C2	1942115886	QHSBHEIKHUXEOV-GUDRVLHUSA-N	239.319	-0.541	50	10	BBGE	
CC(C)[C@H](OC[C@H]1COCCCO1)C(=O)NN	1948414562	AQWUUSFYGCPFGR-ZJUUUORDSA-N	246.307	-0.177	50	10	BBGE	
CCC[C@@H](OC[C@H]1COCCCO1)C(=O)NN	1948416323	IYOICLHMSMSIDD-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H](O[C@H]1COC(C)(C)C1)C(=O)NN	1956934262	CQDFNMCVWSOCNZ-RNFRBKRXSA-N	202.254	-0.051	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@]1(C)CCOC1	1974595493	JRUXPFMXLZQUIW-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
COCCOC[C@@H]1CCCN1CC(=O)NN	1976170311	NXVOKGZYKOBENP-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CCN(CCCCO)CCOCC(=O)NN	1976238995	DITPZHNYOXBGHO-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
CN(Cc1cocn1)CC1(C(=O)NN)CC1	1976731531	NUXLQAFHBXPPOM-UHFFFAOYSA-N	224.264	-0.124	50	10	BBGE	
O=C(NNCCO)c1ncoc1C(F)(F)F	1976733492	CUBKYDYMQVCNOI-UHFFFAOYSA-N	239.153	-0.080	50	10	BBGE	
C[C@H](CN1C[C@@]2(C)C[C@]2(CO)C1)C(=O)NN	1978978944	DWWHWQZSGPWIPW-FBIMIBRVSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(CCCC(=O)NN)C1	1979550698	JKOPAJJSBPETTA-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	1979919219	XFDKDFDWPGXSBN-OEJXEDHQSA-N	227.308	-0.542	50	10	BBGE	
CS[C@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	1980886066	BXFPVRANSAUSDP-BDAKNGLRSA-N	246.380	-0.656	50	10	BBGE	
CC[C@@H]1CN2CCC[C@@H]2CN1CC(=O)NN	1981077910	VSHIBCJDLKGEAC-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)CCS1	1981415342	CWEUATFEYLDTKY-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C=CCC1	1984101059	GPDBCXVQGALZKD-SECBINFHSA-N	219.049	-0.506	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC1)CC(O)C2	1986976393	QYXHACFRUXSXAG-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
NC(=O)CCN1CCC(NC(=O)CCl)CC1	1987444869	KCUQHOZIOKCNFW-UHFFFAOYSA-N	247.726	-0.319	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C(F)(F)C12CC2	1992153093	LRNJAAFQMCTTOZ-ZCFIWIBFSA-N	228.991	-0.837	50	10	BBGE	
CN(CCC(=O)NN)CC12COC(C)(C1)C2	1993941209	YZBROBGCORBFTH-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC3(CCC3)CO2)n1	2001612906	IQXMTDUWXDIPIU-SECBINFHSA-N	236.080	-0.478	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N[C@@H]2CC[C@H]21	2002912001	ATVVRQNUYPPCQS-IWSPIJDZSA-N	240.307	-0.892	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(CF)C2)n1	2003505762	HSJOWWQOHMZLJG-UHFFFAOYSA-N	241.270	-0.575	50	10	BBGE	
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NN	2004373915	WGGDEVBCBKTSNS-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCCO2)c(B(O)O)c1	2004934816	ITKBXVUVLOKUHA-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cc1ncnc(N(C)CC(F)(F)F)c1B(O)O	2004972209	BVMPCPIMCOXHRM-UHFFFAOYSA-N	249.001	-0.537	50	10	BBGE	
C[C@H]1C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2007068370	MPDBSFPJFZQGCY-NKWVEPMBSA-N	232.052	-0.838	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CC1(C(=O)NN)CC1	2008786752	ZLQHHSGLFLQDTG-LPEHRKFASA-N	239.319	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@]2(CC[C@H]2O)C1	2013328932	MUAURGHQGRFBPW-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@](C)(O)C1	2017238976	RQRHOJNDFOYLJT-KCJUWKMLSA-N	243.307	-0.754	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H]1CCOC1	2019209738	FZRUVKWFUKWPGG-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CCC[C@@](CO)(C2)C1	2022184600	MLNOQSFDJQPIGZ-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1Cc2cncnc2C1	2025621022	FZDHOIWLZLLFAT-SNVBAGLBSA-N	235.291	-0.193	50	10	BBGE	
NNC(=O)c1cncc(Cn2ncccc2=O)c1	2027475146	QBAYDSAWCGEDGP-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)Cc2cocn2)n1	2052552931	ZYTHFZMGMOLPLW-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC23CCC3)n1	2052626430	VQHYDSLJURTUIM-UHFFFAOYSA-N	247.107	-0.094	50	10	BBGE	
CCN(CCCO)C[C@H]1CC[C@H]1C(=O)NN	2211827888	PIOXQUFWKAVFTF-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]2F)c1F	2212603212	DKRQPIXKURLPRU-VDTYLAMSSA-N	228.007	-0.330	50	10	BBGE	
CN(c1ncccc1B(O)O)C1C[C@@H]2C[C@H]2C1	2216636976	HMPMBJMZFNMZPT-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c1	2217172246	INXQDPLLRXFUBJ-KNDBQHFLSA-N	230.076	-0.172	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H]2CO)cc1B(O)O	2217184381	RZCFCJOUCUKXIY-WPRPVWTQSA-N	236.080	-0.747	50	10	BBGE	
OB(O)c1ccnc(OCC2=CCNCC2)c1	2217188493	OUPKQYSLABMQIH-UHFFFAOYSA-N	234.064	-0.940	50	10	BBGE	
NC[C@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217191148	IIROFYSCNXIPQM-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
CC[C@](C)(COc1cc(B(O)O)ccn1)OC	2217193131	SASLYUSITQKFSZ-LLVKDONJSA-N	239.080	-0.045	50	10	BBGE	
NC[C@H](Nc1cc(B(O)O)ccn1)C(F)(F)F	2217196077	CAUKHJGLYJWDMV-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
C[C@@H](CC1CNC1)Nc1ncccc1B(O)O	2217199890	GWQHJFQZBLGNCP-QMMMGPOBSA-N	235.096	-0.829	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1Cc1cccc(B(O)O)c1	2220053611	IQLJRRUKDAHYBG-CMPLNLGQSA-N	249.119	-0.431	50	10	BBGE	
N#Cc1cnn(CC2(C(=O)NN)CCOCC2)c1	2223134786	DXZAJBRQJMHZGS-UHFFFAOYSA-N	249.274	-0.459	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@@H]1C[C@H](O)C2	2223629600	VPRYZYNUSITHGO-MYJAWHEDSA-N	248.091	-0.747	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1c1ncccc1B(O)O	2223638931	NTWIBQZTNZHZEQ-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
CC[C@@H]1CN(c2cc(B(O)O)ccn2)CCN1C	2223673850	HYIMZNCNXHDISU-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
CCN1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223675043	PCUWZIWCOZHYKQ-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ncsc1B(O)O	2243359340	RDHAUPNFLDESLN-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
COC[C@@H](NC(=O)C1(B(O)O)CC1)C(C)C	2243365210	JIEWSJFCWAWBMC-MRVPVSSYSA-N	229.085	-0.219	50	10	BBGE	
N#CCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243392053	QSOKOBCVPVKKES-IUCAKERBSA-N	222.053	-0.246	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397110	VTNWHLGXKPPZIO-KZVJFYERSA-N	227.069	-0.921	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCOC1	2243398695	SJCSHPFVUNDKJO-SECBINFHSA-N	227.069	-0.464	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1NC(=O)C#CB(O)O	2243398860	ICJXKIZHWROXNF-IYSWYEEDSA-N	234.970	-0.541	50	10	BBGE	
CCCN(C)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243426186	FRWCQXULYMUPOZ-DTWKUNHWSA-N	228.101	-0.693	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCNCCC1	2243426258	GDQKCVPXEQYSBC-BDAKNGLRSA-N	226.085	-0.939	50	10	BBGE	
Cn1ccc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]1	2243427643	YKIFRBOCEBCTAK-KNVOCYPGSA-N	223.041	-0.967	50	10	BBGE	
O=C(NCC1(F)CC1)c1cc(B(O)O)co1	2244205490	JZKDVORESLLYII-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cocc1B(O)O	2244212266	NLTCRBZWDLSKQX-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1cc(B(O)O)co1	2244221811	IADXZKMLBPEGJB-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C1)[C@@]2(C)O)C(=O)NN	2244310022	CFIWOJVCAIIJJG-CKEKPRIKSA-N	227.308	-0.685	50	10	BBGE	
C=CC1CN(C(=O)c2csc(B(O)O)c2)C1	2245435843	NBBZNIGYYKEVPV-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
CCNCCSC[C@H]1CC[C@H](C(=O)NN)O1	2245486070	JESVBXBSQGQUMN-RKDXNWHRSA-N	247.364	-0.133	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ccncc1B(O)O	2247732487	GIAAIBGDNIYIMZ-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
O=C(C#CB(O)O)NC1Cc2ccccc2C1	2247740838	QFBWHVDYHYBCAC-UHFFFAOYSA-N	229.044	-0.715	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2247743415	DCDDJHTVOIJFAT-MXWKQRLJSA-N	235.092	-0.104	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1ccoc1B(O)O	2247743828	KBGYOJQBONZRGJ-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H](Cc1ccccc1)NC(=O)C#CB(O)O	2247746657	BPKVRMOSKYEQDV-JTQLQIEISA-N	231.060	-0.251	50	10	BBGE	
CON(CC(C)C)C(=O)c1occc1B(O)O	2247756141	RQJRNJVNKGSLKM-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
COCC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787566	QQFYTITZUJAWIC-XWJSGITJSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CN2CC[C@H]1C2	2247809747	QZXPZWSGTSGGAF-JLIMGVALSA-N	238.096	-0.988	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]1C1CC1	2247874128	JHBAVSQUWVJZOH-SECBINFHSA-N	235.048	-0.416	50	10	BBGE	
CON(C)CCCNC(=O)C1(B(O)O)CCC1	2247878468	KITDGUDJELMMEJ-UHFFFAOYSA-N	244.100	-0.617	50	10	BBGE	
CC[C@H](C)N1CC(NC(=O)C2(B(O)O)CC2)C1	2247878573	LXCLRYLOJRHPFR-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CC[C@@H](O)CC1	2247887486	OQMSUTIAPNULMX-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)c1cccnn1	2247887967	UGYRMGMNFKOWQV-YUMQZZPRSA-N	235.052	-0.308	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCO1	2247893324	PZSNTNINYMTWLN-NFTFJBJSSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CO1)[C@H]1C[C@@H]1B(O)O	2247898609	GDFUKFTVNZYXBS-ACZMJKKPSA-N	249.022	-0.610	50	10	BBGE	
O=C(NC1CC2(COC2)C1)[C@H]1C[C@@H](B(O)O)C1	2247903967	NTTUJXXRKGSRDO-OCAPTIKFSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247911784	YLMDQHFFGNDWHT-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CO[C@@H]2C=CCOC2)O1	2249279265	QXWMXCHFAONEAR-BBBLOLIVSA-N	242.275	-0.505	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)co1	2249431365	URMBVXLWETYWQG-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C[C@H](O)CN(CC(C)(C)C)C(=O)C#CB(O)O	2250591631	BIHGSGMLGUSCEB-VIFPVBQESA-N	241.096	-0.743	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccncc2B(O)O)[C@@H]1C	2255449227	LGNIQXNSECVKER-HTQZYQBOSA-N	248.091	-0.607	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CC[C@@H]2C1	2255461727	LPIQCWGQTYWERD-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
CC=C=CCCNC(=O)c1cc(B(O)O)cn1C	2255498598	BNIZOPFHRISVLP-UHFFFAOYSA-N	248.091	-0.444	50	10	BBGE	
CCC1(N(C)C(=O)c2cncc(B(O)O)c2)CC1	2255521062	RHXRPKVEVNELMP-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2255522311	IDVSMMBUKKOKCT-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2c(F)cccc2C1	2255669317	MPWKHBPFMONJIW-UHFFFAOYSA-N	247.034	-0.274	50	10	BBGE	
Cc1cc(C(=O)N2CC(C#N)C2)ccc1B(O)O	2255734654	FEGXHFZNNATLHB-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(C)cc(B(O)O)c1	2255736766	SQISDFJOOJWGFQ-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
C=C1CC(C(=O)NCc2ccccc2B(O)O)C1	2256634811	BGZGVHHTYZSNRU-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
CC#CCCC(=O)NCc1cccc(B(O)O)c1	2256673318	RWHFFXMKQHLLKB-UHFFFAOYSA-N	245.087	-0.214	50	10	BBGE	
CCNc1ccccc1C(=O)NCC#CB(O)O	2258785442	QEWNYPGNMPVOJL-UHFFFAOYSA-N	246.075	-0.136	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H](C)CN1C	2298180031	IGXUEIPXNKYNJN-XWLWVQCSSA-N	240.351	-0.363	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CO	2298369638	AJUCCGCEVGXRMF-JLIMGVALSA-N	241.096	-0.674	50	10	BBGE	
CC(C)(C)[C@@H](CCO)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376823	QCFZSPHPBZKNRC-HRDYMLBCSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CCO)[C@@H]1C[C@H]1B(O)O	2298377362	NTSOSSMCKQYQFW-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC12COC2	2300366506	FGEJKLGDBBLCNC-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(CCO)C[C@@H](C)O	2302025636	RXQDTHUHYUOYNY-VHSXEESVSA-N	247.339	-0.790	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2ncoc2c1	2302025869	UYGNHLQMWVCESG-UHFFFAOYSA-N	229.988	-0.218	50	10	BBGE	
CC[C@](C)(CN1CCO[C@@H](C#N)C1)C(=O)NN	2303409694	FVNAQKBFRKVOTD-GXSJLCMTSA-N	240.307	-0.383	50	10	BBGE	
COC(C)(C)C1(C(=O)NCC#CB(O)O)CC1	2303648431	QHCKLEVQJVGXNU-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCCN2)ncc1F	2303853856	YHKUUYBIMRYYTQ-ZETCQYMHSA-N	240.043	-0.969	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccoc1B(O)O	2312857107	QVWPRHBONXBFGU-KHQFGBGNSA-N	247.059	-0.346	50	10	BBGE	
CCN(C)CCNc1ccc(B(O)O)cc1C#N	2317150682	IARXJTYVQSCTJC-UHFFFAOYSA-N	247.107	-0.398	50	10	BBGE	
NNC(=O)c1cc(S(=O)(=O)NC2CC2)c[nH]1	22157854	YDYXLIPUEFXITB-UHFFFAOYSA-N	244.276	-0.941	50	10	BBGE	
O=C(NCCN1CCNCC1)C(Cl)Cl	22869999	HTAVWCBENWWQNY-UHFFFAOYSA-N	240.134	-0.189	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1CO	49751981	FQFNQGQQCAGFTF-SECBINFHSA-N	229.280	-1.000	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)C1CCCC1	82470093	GMAGTRLDVIVCCN-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
Cc1cnn(C[C@H]2CC[C@H](C(=O)NN)O2)c1	82471450	OOIKDSBOYJGRGM-RKDXNWHRSA-N	224.264	-0.271	50	10	BBGE	
CC[C@H]1CN(C[C@@H](C)C(=O)NN)CCN1C	82485342	FHLPEZIYWOIXKR-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
NC(=O)NNC(=O)CC[C@H]1CCCO1	83525718	DPHPKKCPPULSJU-ZCFIWIBFSA-N	201.226	-0.355	50	10	BBGE	
Cc1cc(CNC(=O)C(=O)NN)sc1C	83633867	LJDYSODWYQRJDC-UHFFFAOYSA-N	227.289	-0.029	50	10	BBGE	
NNC(=O)CCCCCN1CCOCC1=O	86433414	YCNWPKNZKMMXOG-UHFFFAOYSA-N	229.280	-0.605	50	10	BBGE	
NNC(=O)c1ccccc1-c1nnn[nH]1	95236754	SDOCAUPKBADTDY-UHFFFAOYSA-N	204.193	-0.530	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1C[C@H](C)C(=O)NN	104101125	KBTQNUVLKDTIEF-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=O)CCCS1	164985862	JLMACRDVOWQJRI-SSDOTTSWSA-N	203.267	-0.028	50	10	BBGE	
OB(O)c1ccc(CNCC2CC2)s1	203614295	PEBBNLSSLMXAII-UHFFFAOYSA-N	211.095	-0.073	50	10	BBGE	
COc1ccc(Cn2nccc2C)cc1B(O)O	203619642	SEICNSQYJNPWPS-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CCc1ccc(CNC(=O)C(=O)NN)s1	225398249	KRORJPCOMWMDHP-UHFFFAOYSA-N	227.289	-0.083	50	10	BBGE	
CN1CC[C@@H](NS(=O)(=O)CCl)C1=O	230278473	JJIQMZWXVHODNO-RXMQYKEDSA-N	226.685	-0.667	50	10	BBGE	
CCNC(=O)[C@@H](C)NS(=O)(=O)CCCl	232295140	UVXWJPAHQCBCTF-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
CC(C)N(CC(N)=O)[C@H](C)[C@H](C)C(=O)NN	252603041	NQRCGUWSUSYERB-JGVFFNPUSA-N	230.312	-0.803	50	10	BBGE	
Nc1sc2ccc(B(O)O)cc2c1N	307109112	MOOZPQPCTZUWGH-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)CCl	307168089	UELBDKGJZZQJLH-NTSWFWBYSA-N	240.712	-0.231	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1cn(C)nn1	308875766	ULXYXTMMSSIGNJ-ZCFIWIBFSA-N	232.671	-0.201	50	10	BBGE	
C[C@@H]1C[C@H]1CNNC(=O)[C@@H]1COCCN1	309489848	ICCGYBQCHYQSGU-VGMNWLOBSA-N	213.281	-0.748	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Cl)[C@H]([N+](=O)[O-])C[C@H]12	389636802	OMDLBGWHTZQYSP-VWDOSNQTSA-N	233.655	-0.305	50	10	BBGE	
CC(C)(CCN1CCOC[C@H]1CO)C(=O)NN	395619970	VEGZNZJTCFGRBC-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C(F)F	404935666	HSHFRQNLYKPOLQ-UHFFFAOYSA-N	214.964	-0.430	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H]1[C@H](C)O	688023434	GZGBGNSEMOEHLZ-WPRPVWTQSA-N	243.307	-0.611	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(B(O)O)c1	690066752	NJFLFVBQSFQMMM-KOLCDFICSA-N	249.075	-0.352	50	10	BBGE	
C=CC[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703475997	FVKQHELAFQFNSY-CIUDSAMLSA-N	225.244	-0.160	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CN(C)C[C@@H]2C1	706199306	DGPPMZFPIYAJDU-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
NC(=O)NNC(=O)c1ccnc(Cl)n1	723328757	MGRGTKHSAYRBMO-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
CC(C)(F)C(=O)NNC(=O)[C@H]1COCCO1	768416290	DTLMQZQMQNWHIB-ZCFIWIBFSA-N	234.227	-0.703	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NN(C)C(N)=O)C1	831519579	OPRNPMKHMNXFCH-RNFRBKRXSA-N	215.253	-0.157	50	10	BBGE	
Cc1cncn1CC(=O)NN(C)C[C@@H](C)O	910138812	DDGCSCPKBWPSJJ-SECBINFHSA-N	226.280	-0.465	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccc(O)cc1	1084477354	DSLXAQBNDDIBDR-UHFFFAOYSA-N	221.216	-0.412	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@@H]1CCC(=O)NC1	1141855182	GNFIYVFZQFBMPK-IUCAKERBSA-N	243.307	-0.754	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1cc[nH]n1	1147064315	FPDWSQJDPQKROL-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
NC(=O)C1(NS(=O)(=O)CCl)CCCC1	1260936030	HXRHVVLRTSETDP-UHFFFAOYSA-N	240.712	-0.100	50	10	BBGE	
COC(=O)C(=O)NN=C1COC2(CCC2)C1	1328538252	NZRQLXIOXBZEMV-UHFFFAOYSA-N	226.232	-0.025	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1ccncn1	1569313668	GUECJQDSIPTSJP-VIFPVBQESA-N	208.221	-0.143	50	10	BBGE	
CCOC(=O)C[C@H](O)C(=O)NNC(=O)C(C)C	1628603787	JZAVABWBJKJWHT-ZETCQYMHSA-N	246.263	-0.896	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)C(C)(C)O	1638762169	NQEPRFOHFXPFTA-JTQLQIEISA-N	230.264	-0.768	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)C[C@@H]1F	1881831769	CPKRFTXOEDSTCH-FXQIFTODSA-N	211.664	-0.152	50	10	BBGE	
COC1(OC)CN(C[C@H](O)CCl)C1	1883371623	BGLOIXWZDZVHHH-SSDOTTSWSA-N	209.673	-0.109	50	10	BBGE	
NC(=O)CN(C(=O)F)C1CCNCC1	1887173614	OUUXTWXNPXHSFL-UHFFFAOYSA-N	203.217	-0.385	50	10	BBGE	
CC[C@H](CN(C)CCC(=O)NN)OC	1887658630	YQWFJGRCWKHSBU-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](CO[C@H]1C=CCOC1)C(=O)NN	1888697823	FKALTFHJKMPNNH-SFYZADRCSA-N	200.238	-0.416	50	10	BBGE	
CN1CC[C@H](CCNC(=O)NN)C1=O	1891720401	GRNQUENMMWQGDR-LURJTMIESA-N	200.242	-0.972	50	10	BBGE	
C#CC[C@H](O)CNC(=O)C=CC(=O)Cl	1893410445	JRKKFNXDZCYLOA-ZETCQYMHSA-N	215.636	-0.192	50	10	BBGE	
O=C(N[C@@H]1CNCCOC1)[C@H]1C[C@H]1Cl	1893454145	UHUXTEKEOGUVGI-GJMOJQLCSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1894665031	IADUASGCLBLSMF-IEBDPFPHSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCCN1CCC2CC1(CO)C2	1900055482	CJOMGFLPGBSXDE-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1COCCCO1	1900889367	JXNCDHFSNBWHCE-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CN1CC[C@@H](N2CC[C@](C)(B(O)O)C2)C1=O	1902540121	BNHMAFSCNNNYTO-SCZZXKLOSA-N	226.085	-0.844	50	10	BBGE	
CC[C@@](C)(CN(C)CCN(C)C)C(=O)NN	1902715451	HISPPFDEDLGLEC-NSHDSACASA-N	230.356	-0.114	50	10	BBGE	
Cc1nccn1-c1ccc(B(O)O)cc1C#N	1907409919	QSTRHWIIJRJTCJ-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21	1907866420	KOEWRMTVMQRYDX-JZSSXWJLSA-N	241.335	-0.154	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@@H]1CF	1909489138	NRCSOAPUCVTNQS-HTRCEHHLSA-N	238.027	-0.695	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCCC(=O)NN	1914252831	ALAMIRKDIFOKLF-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NNCCO	1929834166	WZIHNBYNQGRRBJ-CSMHCCOUSA-N	202.254	-0.587	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)[C@H](C)C(=O)NN	1932221113	IFSPLPIVHYDNMQ-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CN(C)CCN(CCO)C(=O)CCCl	1934408480	IXFPRHPLUWLRRN-UHFFFAOYSA-N	222.716	-0.002	50	10	BBGE	
COC(=O)NCc1sc(B(O)O)cc1C	1935196579	IFNQSFBCKULSFC-UHFFFAOYSA-N	229.066	-0.408	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCN(C)CC(=O)NN	1935344043	QWPWGYSOFFNNEU-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CN1CCCN(CC(F)(F)C(=O)NN)C1=O	1935940686	FANBKKZOQIBOFP-UHFFFAOYSA-N	236.222	-0.631	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2CC1(CO)C2	1936082398	FCSIQCILDXYABD-VCZAYRLQSA-N	225.292	-0.931	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094319	MDBYBFQXOQBXCD-JLIMGVALSA-N	227.308	-0.685	50	10	BBGE	
CC1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936094731	PMYXEIBLIFLULF-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@@H]1O	1936095522	XXCFIKBOIYIMOS-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCSC1	1936532162	VQTHMBFBAWMFHC-VIFPVBQESA-N	247.364	-0.322	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1939967691	POCRWCJNHGKWGY-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
CC(C)(C)CN(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1941086302	IIGZUIJDNJNPIJ-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@H]1C[C@@H]1C(=O)NN	1941497985	FBFSJSPUHBCBEJ-RQJHMYQMSA-N	239.235	-0.274	50	10	BBGE	
CO[C@@H]1COC[C@@H]1Oc1ccc(B(O)O)cc1	1942934412	MKWZANPXTPXCNU-MNOVXSKESA-N	238.048	-0.841	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083397	JOLWOTLFSKLWEA-HBNTYKKESA-N	241.335	-0.296	50	10	BBGE	
CCOCCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	1944134355	JUIGJLFUSYFWQP-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnco1	1944176422	SVYAHNZKYILQCY-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
Cc1cnn(C)c1CN(C)[C@@H](C)CC(=O)NN	1945337593	QKZAXLVMQXDPCJ-VIFPVBQESA-N	239.323	-0.071	50	10	BBGE	
C[C@H](CN1CC[C@H]2OCCO[C@@H]2C1)C(=O)NN	1946395819	FCKISWNYSXJTMR-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)CC[C@H]1C(=O)O	1947210967	OQXZVHARSRIZSY-SFYZADRCSA-N	245.279	-0.406	50	10	BBGE	
COCC[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1	1951321830	IQGBNSBGIAVMNE-BDAKNGLRSA-N	229.085	-0.266	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@H]1C(F)F	1955440544	HHPSFEBVQCKZPI-PHDIDXHHSA-N	207.224	-0.191	50	10	BBGE	
O=S(=O)(CCl)NC[C@@]1(O)CCCOC1	1956552810	TZNHDLXQPUSCQR-ZETCQYMHSA-N	243.712	-0.356	50	10	BBGE	
CN1CCN(CCC(=O)NN)[C@@H]2CC[C@@H]21	1960962996	FEVLMZZSDYGQGD-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
NNC(=O)CN1CC[C@@H](O)CC12CCC2	1961240566	XCKDGKIGEGUURN-MRVPVSSYSA-N	213.281	-0.644	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@H]1C	1961674314	BQJLPDWTUFKURN-YUMQZZPRSA-N	206.054	-0.394	50	10	BBGE	
OB(O)c1csc(N2CCC(F)(F)C2)n1	1961718102	KBZRDYSUSPWLBR-UHFFFAOYSA-N	234.036	-0.332	50	10	BBGE	
C[C@@]1(NC(=O)CCCl)CCC(=O)NC1=O	1961732612	NEJGFUONOVXANZ-SECBINFHSA-N	232.667	-0.073	50	10	BBGE	
OB(O)c1cncnc1N1CCC(F)CC1	1981409054	IJCHFGFTXDUDQC-UHFFFAOYSA-N	225.032	-0.905	50	10	BBGE	
CN(Cc1ncn(C)n1)C(=O)NC(=O)CCl	1984073788	QAHCRVGRKOMPMF-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1985598543	WZUQSXZNMMUHDH-BGKGJTHRSA-N	225.244	-0.328	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986730668	UDDXMUCJSIVGOU-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCO[C@@H]1C	1990775230	SUCZFISFESJYAA-VXNVDRBHSA-N	229.280	-0.737	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C(C)(F)F)C1	1990777079	UCYSPXLECLFQBE-UHFFFAOYSA-N	235.234	-0.259	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(n2cncn2)C1	1991653190	WPJWEVFDXGFNIG-UHFFFAOYSA-N	240.650	-0.017	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCN1CCNCC1	1991661788	FHMWBQDFFCJVRQ-UHFFFAOYSA-N	245.710	-0.671	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O	1991679684	LYOSXMKJOLEUKZ-WJYNVNEKSA-N	245.706	-0.186	50	10	BBGE	
COC[C@@H](O[C@H]1CCCN(C)C1)C(=O)NN	1992113303	IZUSSSGOMWHQMC-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C=C(CN1CCN2C[C@@H](C)C[C@H]2C1)B(O)O	1992153918	SXIIWMBZJWDDAU-ONGXEEELSA-N	224.113	-0.419	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@H]1C2	1992322543	REXHQUBBUGIOGI-IUCAKERBSA-N	218.065	-0.107	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSCCOC1CNC1	1993411854	ZSAKXFSVRLHSJM-VXNVDRBHSA-N	245.348	-0.666	50	10	BBGE	
COCCO[C@H]1CCN(C[C@H](C)C(=O)NN)C1	1996764970	UXPRCEYZBBCHBS-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000813961	JZJMXCPZYSLPKN-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1c1ncon1	2004033812	WXFVVHGQBCTOQI-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
COCCN(c1ccc(B(O)O)cn1)C1CC1	2004917617	DKFRXOBISMRQJY-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)C[C@@H]1F	2004929879	OTTQANLAZVDDIA-WPRPVWTQSA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CC[C@H]3C2)c(F)c1	2005018730	XPBXDDISGVPLHL-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980774	ZSHLCBVITMVDHV-ZDCRXTMVSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1ccc(C(=O)NN)o1	2011156316	RFUOEVSRXFHICS-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]2CF)n1	2011849699	KOLIRWHBPUYUJI-MRVPVSSYSA-N	239.059	-0.679	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@]12CCC[C@H]1C2	2016415920	CPHGMAOYFAKSMB-CABZTGNLSA-N	233.076	-0.282	50	10	BBGE	
CO[C@@H](C)COC[C@H]1CCC[C@@H](C(=O)NN)O1	2018242515	KAGFBADWZWUTCG-AEJSXWLSSA-N	246.307	-0.035	50	10	BBGE	
C=C(CN1CCCN(CCOC)CC1)B(O)O	2021157205	IVZWGMFCQQNJQR-UHFFFAOYSA-N	242.128	-0.791	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]2C[C@H]2CC1	2021157858	SBUYYFOUZFRNCF-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ccnc(O)c2C1	2025570476	PXIYDFUHLJBJAQ-ZETCQYMHSA-N	236.275	-0.476	50	10	BBGE	
COc1ccc(CN2CC3CC2C3)cc1B(O)O	2034313229	JYCXWHWXDOBLSH-UHFFFAOYSA-N	247.103	-0.031	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2052499143	OQUAWVUUQZXBDK-RKYHVTRTSA-N	246.075	-0.420	50	10	BBGE	
COc1nc(N2CC[C@H]3C[C@H]3C2)ncc1B(O)O	2052623348	IHJMUFKNJAZLBP-YUMQZZPRSA-N	249.079	-0.989	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)CC1COC1	2056493632	LHWBISPAPCODAX-UHFFFAOYSA-N	249.075	-0.350	50	10	BBGE	
COc1cc(B(O)O)cc(Cl)c1C#N	2060106114	RNKMRNKPMYYYPO-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1cc(C=O)cc([N+](=O)[O-])c1B(O)O	2060136637	DMJIMHOXUAWKKJ-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
COc1c(C=O)cc(B(O)O)cc1[N+](=O)[O-]	2060275822	FMOVMDZBNUPVHK-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CCN(Cc1ccc(B(O)O)s1)OC	2209685516	DOPPILGXPOYQAD-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
OCCCSc1ncccc1B(O)O	2210067098	ZHZHJWUCRLTZAO-UHFFFAOYSA-N	213.067	-0.764	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1(F)CC1	2211059712	REESZNXCGCDNBG-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H](F)C2)c1	2212601047	HXMAGDBCYDPUIV-XWEPSHTISA-N	224.044	-0.079	50	10	BBGE	
CC1(CNc2ncccc2B(O)O)CSC1	2212611277	YFDZTXWWVPTCOT-UHFFFAOYSA-N	238.121	-0.074	50	10	BBGE	
C[C@H](CN(C)C[C@H](F)[C@H]1CCOC1)C(=O)NN	2216382870	ASSOWGGHZBHYLZ-UTLUCORTSA-N	247.314	-0.081	50	10	BBGE	
CO[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1F	2216528308	NNQRTAZUQUTCKQ-DTWKUNHWSA-N	245.298	-0.185	50	10	BBGE	
CNCC(C)(C)CNc1ccc(B(O)O)cn1	2217181755	UREIXQGERWQRGE-UHFFFAOYSA-N	237.112	-0.581	50	10	BBGE	
CNC[C@@H](C)COc1cc(B(O)O)c(C)cn1	2217183228	JZUNSCYASQTZKG-MRVPVSSYSA-N	238.096	-0.696	50	10	BBGE	
C[C@H](N)CCCCOc1cc(B(O)O)ccn1	2217186450	KNSPTBWFVTYRSG-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
CC(C)C[C@H](CO)Nc1cc(B(O)O)ccn1	2217197133	XRKCBIGXSQCQKT-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
CCC[C@@H](CO)CNc1cc(B(O)O)ccn1	2217197528	NJJPSPUSQFDODM-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2217199003	JAUSIVUELAHDPJ-GVECUJGRSA-N	231.064	-0.777	50	10	BBGE	
CC[C@]1(Nc2ncccc2B(O)O)CCOC1	2217200374	SMVXXLYVLKTRMB-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
CN(CC1(O)CCC1)c1cc(B(O)O)ccn1	2217201429	YFWCCCSBNWFAKU-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CC1(C)CNC[C@H](Nc2cc(B(O)O)ccn2)C1	2223633708	ACJOYIVYPJNZSA-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c1F	2223661237	PCVPKQSWURDEGF-UMSVSBSPSA-N	249.050	-0.066	50	10	BBGE	
CC1(C)CNCC[C@@H]1Nc1ncccc1B(O)O	2223672906	VIOONIVLONLWPP-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)CCN1C	2223673569	GKGNVAGXQUIJNI-MWLCHTKSSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cccnc1NCCN1CC=CCC1	2223674480	LGNVGOBPMSVNLZ-UHFFFAOYSA-N	247.107	-0.565	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CN3CCC2CC3)nc1	2223675532	XGSXSEDHJZRMOM-NSHDSACASA-N	247.107	-0.733	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	2242751308	QUHWJEXHCLCGTO-KZVJFYERSA-N	223.276	-0.519	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H](C)CF	2243348384	XIDBAJXMXDOWQU-YFKPBYRVSA-N	229.016	-0.644	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2243399541	NEMIUOYAFWIZIH-UHFFFAOYSA-N	224.069	-0.435	50	10	BBGE	
CN(CC1=CCCCC1)C(=O)C#CB(O)O	2243401814	XEHNDSVRUBIHRL-UHFFFAOYSA-N	221.065	-0.039	50	10	BBGE	
COC(C)(C)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243403923	GGGSKNNXVIBHFJ-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243411064	NFKYPZOIQRVFQV-BDAKNGLRSA-N	221.065	-0.089	50	10	BBGE	
C#CC[C@H](C(=O)NCC#CB(O)O)C1CC1	2243701242	ARMFEAVXAOBIFP-JTQLQIEISA-N	219.049	-0.833	50	10	BBGE	
O=[S@](NCCC#CB(O)O)C1CCCCC1	2244537374	JRTGSJNJIPNVEY-INIZCTEOSA-N	243.137	-0.022	50	10	BBGE	
C=CC1CN(C(=O)c2ccsc2B(O)O)C1	2245440474	IMPQZGSIOWYZLG-UHFFFAOYSA-N	237.089	-0.314	50	10	BBGE	
NNC(=O)C(=O)N1CC(F)(F)CC12CCC2	2245503984	IRPBDTSADYIXTL-UHFFFAOYSA-N	233.218	-0.233	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1O[C@H]2CC[C@H]1C2	2247072969	YEPZMMWDNZERLC-UWVGGRQHSA-N	234.064	-0.257	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1coc(B(O)O)c1	2247734901	VXXBBZHMBZUYBV-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
Cc1cc(CCNC(=O)C#CB(O)O)ccn1	2247741409	ZGDVSLQBYRIHOR-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247744620	VQJARADRCMVNMN-MRVPVSSYSA-N	233.032	-0.945	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2(CCC2)C1	2247746705	CIJKHAJJFXEAIR-UHFFFAOYSA-N	234.064	-0.679	50	10	BBGE	
Cc1ccc(C(=O)NOC(C)C)cc1B(O)O	2247752115	IQJUYYFJCQJSDB-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
O=C(NCCC1CC1)c1cncc(B(O)O)c1	2247769785	AIXONDHHMVWTLT-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
CC1(CCNC(=O)c2cc(B(O)O)n[nH]2)CC1	2247784084	PEZRALQOACJHHM-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786820	GZWFFGOFOSPZBS-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C12CC(CO1)C2	2247798878	XZKTUKVCXWNKSR-PXUIKADCSA-N	239.080	-0.467	50	10	BBGE	
COCC1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247800587	QLJKCOWMRBHDJR-NXEZZACHSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@H](CO)C1CCC1)[C@@H]1C[C@H]1B(O)O	2247800703	RSASQGHJHABFND-OPRDCNLKSA-N	241.096	-0.626	50	10	BBGE	
N[C@H]1C[C@@](F)(CNC(=O)C2CC(B(O)O)C2)C1	2247803554	BTBDCGOHMYGHEL-VPLSAZKJSA-N	244.075	-0.815	50	10	BBGE	
CCc1cnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)o1	2247803897	DPIJFVSMGJCAES-HTQZYQBOSA-N	238.052	-0.284	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)C2CC(B(O)O)C2)C1	2247806252	DTGWCUIQQSFTNN-UDNWOFFPSA-N	239.080	-0.347	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@]2(CCN2)C1	2247807362	QVDIRQRUUFPZPR-QXEWZRGKSA-N	238.096	-0.796	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(C)(F)F)C(=O)C#CB(O)O	2247850050	JBMBPPBKYBWRAS-YUMQZZPRSA-N	245.034	-0.249	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)cn1C	2247869180	NEOGZHNDKMPALB-UHFFFAOYSA-N	236.080	-0.647	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC[C@@H]1O	2247896142	XMTVOSXCOIOZCE-KBIXCLLPSA-N	241.096	-0.341	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1B(O)O	2247898184	BAFCTAKKWWAOTR-JNSGDMPLSA-N	238.096	-0.670	50	10	BBGE	
CC1CN(C(=O)c2ccc(B(O)O)cc2O)C1	2247984012	RSGOSFRBXWUZHR-UHFFFAOYSA-N	235.048	-0.836	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248579367	YZXQBVUJTMEVFK-XVMARJQXSA-N	243.068	-0.535	50	10	BBGE	
C=CCN(CCC(=O)O)C(=O)C1(B(O)O)CC1	2248587170	MLAPGIUHWOPLTL-UHFFFAOYSA-N	241.052	-0.517	50	10	BBGE	
CC[C@H](CCNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248587342	OHRSSQGXROCSOJ-CSMHCCOUSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H](O)CN(CC1(C(=O)NN)CC1)C1CCC1	2250544766	FBQASGLWBOKWIO-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN(C)Cc1cccnc1O)C(=O)NN	2250765421	RGCLQLFFUGBILY-MRVPVSSYSA-N	238.291	-0.155	50	10	BBGE	
CCC(=O)NCCc1c(F)cccc1B(O)O	2251385310	AKAJGFSWASYIBK-UHFFFAOYSA-N	239.055	-0.426	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@]3(O)C[C@@H]3C2)c1	2254102049	DWPUGHMLUKZNNY-YPMHNXCESA-N	247.103	-0.677	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1ccc(B(O)O)o1	2255467689	QNVCJHDQQLPVHX-UFBFGSQYSA-N	249.075	-0.026	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1OC	2255472130	CPMQCEWPBQUOOW-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC2CC1C2	2255506126	PMRGDOSURDKWQN-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1n[nH]cc1B(O)O	2255548546	BIFCXMUNIDIAPQ-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2[C@@H](C)[C@H]2C)c1B(O)O	2255581922	RXDTUJVKYZAWNC-MBTKJCJQSA-N	248.091	-0.546	50	10	BBGE	
O=C(Nc1cccn2cnnc12)[C@@H]1C[C@H]1B(O)O	2255768288	HNPNSTQIGUFQLR-RNFRBKRXSA-N	246.035	-0.469	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1cocc1B(O)O	2258137609	YZUCRUIPFJVRCO-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298462693	BAQORLKFNHGXBM-RULNZFCNSA-N	241.052	-0.781	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299249773	PNWQTTMVRCBOTA-IMSYWVGJSA-N	239.080	-0.613	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1cc(B(O)O)ccn1	2300057019	NAXDXCYGIXQSRA-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1cc(B(O)O)ccn1	2300057020	NAXDXCYGIXQSRA-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1ccc(B(O)O)cn1	2300057237	PMFKBZMHMRUWJA-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
Cc1ncnc(OC2[C@H](C)C[C@H]2C)c1B(O)O	2301273278	BNQWXFPZDFVWTG-RNFRBKRXSA-N	236.080	-0.112	50	10	BBGE	
COCC(CCOC[C@H](C)C(=O)NN)COC	2301613885	KBZWPDQWMGGYSB-VIFPVBQESA-N	248.323	-0.072	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)[C@H]2C[C@H]21	2302061540	SQSKGNCFLTVYEV-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)[C@H](CF)[C@H]1OC	2302218456	UYKIVALJCUDGRR-NQMVMOMDSA-N	249.286	-0.950	50	10	BBGE	
CC[C@@](C)(CN1CC(=O)N[C@H](C)C1)C(=O)NN	2303427411	XZVSBOXBBDXFLU-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
CC(C)[C@@H](CN)Oc1cc(B(O)O)c(F)cn1	2303848642	BXOMXMZOZKHCLB-SECBINFHSA-N	242.059	-0.737	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308260	JCDBCMNWTBSWDQ-HNBZJPLGSA-N	249.075	-0.640	50	10	BBGE	
CCOC(=O)NNC(=O)CNCC(F)(F)F	68511203	QDVPUBGGDODATA-UHFFFAOYSA-N	243.185	-0.084	50	10	BBGE	
O=CC1=CN=C2c3n[nH]nc3N=CN2C1	82381891	PBGXOFZCEBQQIO-UHFFFAOYSA-N	202.177	-0.377	50	10	BBGE	
CCCn1c(SCCC(=O)NN)n[nH]c1=O	82472644	PZDROQDUCRJRHX-UHFFFAOYSA-N	245.308	-0.547	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nc(N)cc(N)n1	82472907	WGWWTNPJXSMXDC-BYPYZUCNSA-N	242.308	-0.498	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@H]1CO	104122959	WFLSECCLQGETMJ-VIFPVBQESA-N	239.275	-0.160	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NN1CCOCC1	149612759	WJZKWTXUKHWMNX-LURJTMIESA-N	235.671	-0.313	50	10	BBGE	
C[C@@H](NC(=O)NN)C(=O)N1CCCCC1	162841326	ZZAWWJAYEFGZFK-SSDOTTSWSA-N	214.269	-0.440	50	10	BBGE	
CNC[C@@H]1CCCN([C@@H](C)[C@@H](C)C(=O)NN)C1	222182839	HBRXGHSJZNWFPG-VWYCJHECSA-N	242.367	-0.068	50	10	BBGE	
O=C(CCCl)NC[C@@]1(O)CCOC1	227128053	RXWVBVUTKBLASA-QMMMGPOBSA-N	207.657	-0.117	50	10	BBGE	
COc1ccc(OC(F)F)c(B(O)O)c1	228667491	UPSXMRXJMHHTTN-UHFFFAOYSA-N	217.964	-0.024	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@@H](CO)O1	230057895	GQBYVFMDWWISRQ-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
Cn1nc(C(=O)NNC(N)=O)c2ccccc21	231927415	JEHORBSDJAZTEK-UHFFFAOYSA-N	233.231	-0.114	50	10	BBGE	
COC(=O)CNC(=O)[C@@H](N=C=O)C(C)C	238370208	LCEWLLGDEKBVFB-QMMMGPOBSA-N	214.221	-0.364	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](C)[C@H](C)C(=O)NN	252609441	TXASFHMYMXKCTK-DTWKUNHWSA-N	244.339	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCCO	300836756	PWZZDGGVIYLUSJ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
O[C@@H]1O[C@H](CCl)[C@H](O)O[C@@H]1CCl	306786259	OWWRQJHWBSJURG-KVTDHHQDSA-N	217.048	-0.115	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CCCO1	309015789	ULNGPWPLICRKEE-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@]12CCOC2	380111697	RZMHJGQFQDEJFN-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSC[C@H](C)C1	380335633	GFLAMRSQTJXLNQ-BDAKNGLRSA-N	247.364	-0.324	50	10	BBGE	
CCOC1CN([C@H](C)CC(=O)NN)C1	383065310	OHQVYSCPWKILMA-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)C[C@H]1C	384991999	CUGKPNUQVSWIAU-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387636710	RVYHZOFACAGMTK-DJLDLDEBSA-N	213.281	-0.526	50	10	BBGE	
O=C(CCCl)NCCc1nc(=O)o[nH]1	392180734	KVWZICHNFAAACE-UHFFFAOYSA-N	219.628	-0.350	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)[C@@H](C)CO1	404109242	VSKYAIGAXRRMIH-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
C#CCN(CC#C)[C@H](C)C(=O)NNC(=O)CC	491743734	WQXVDGCKDAMKEB-SNVBAGLBSA-N	235.287	-0.499	50	10	BBGE	
C[C@@H](CN1CC[C@H](CN(C)C)C1)C(=O)NN	689159456	ONXFCFPJFVJUQP-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12COC[C@H]1C2	689281594	QOVFRBUQEHJQQC-MRTMQBJTSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)C(=O)NN)[C@@H]1CCO	697208957	RQSGBNPXINWOEF-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
Cc1cn(Cc2ncccc2C(=O)NN)c(O)n1	699584453	CXSVFHRSGQKTRG-UHFFFAOYSA-N	247.258	-0.056	50	10	BBGE	
Cn1nnc(CN[C@@H]2CCOC[C@@H]2Cl)n1	706727652	QORWYTQCHZAVBG-NKWVEPMBSA-N	231.687	-0.304	50	10	BBGE	
O=C(CCCl)N[C@H]1COCC[C@H]1O	710945860	NSWQXTJGZKNYAZ-NKWVEPMBSA-N	207.657	-0.119	50	10	BBGE	
COCC[C@H](CCl)NCCn1cnnn1	712593521	YTQSMPXNFDCKOZ-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H]1CO2)C(=O)NN	718291885	XXVFFDMEKUFQKK-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
NC(=O)[C@H]1CCN1S(=O)(=O)CCl	757152004	YDDMUCAFHDSSMD-SCSAIBSYSA-N	212.658	-0.928	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)[C@@H]1COCCO1	829394058	MPIJWEOUIWUQSE-VIFPVBQESA-N	240.259	-0.791	50	10	BBGE	
C#CCOCCC(=O)NNc1nnc(C)n1C	856047245	KYYJHDGYJPJTFT-UHFFFAOYSA-N	237.263	-0.393	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H]1C[C@H]1OC	887154444	LGALJXXQGWLTBI-RKDXNWHRSA-N	224.260	-0.028	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](C)C#N)n1C	1329196863	RBXZHZMEHSAHFT-YFKPBYRVSA-N	208.225	-0.274	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@@H](C2CC2)C1	1347224781	NHNSIEXWLKGABR-MRVPVSSYSA-N	226.232	-0.170	50	10	BBGE	
CCCCC[C@H](O)C(=O)NNC(=O)C(C)(C)O	1556228502	PMOZOUYGABRQJW-QMMMGPOBSA-N	246.307	-0.154	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CC(=O)C2)cn1	1586569225	ANFAJADPBXDGRZ-UHFFFAOYSA-N	236.231	-0.840	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)c1cnn(C)c1	1611094662	HQCRAVDLNVDNCN-SSDOTTSWSA-N	240.263	-0.947	50	10	BBGE	
COC(=O)NCCNC(=O)NN(C)C(=O)OC	1681108023	UJQPCFFVAKXVGH-UHFFFAOYSA-N	248.239	-0.745	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NC[C@@H]1C[C@H]1Cl	1877392936	BPNNGEVEKURGJS-RULNZFCNSA-N	218.684	-0.296	50	10	BBGE	
CC(=O)N[C@H](CBr)C(=O)O	1880031586	SSQPZYLFJBCHII-SCSAIBSYSA-N	210.027	-0.029	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(O)CC1	1883626829	LQOHLJIJMHYXRI-UHFFFAOYSA-N	203.625	-0.051	50	10	BBGE	
NC[C@@H]1CCN1C(=O)C=CC(=O)Cl	1883627409	USMKFKHSWGVVBH-LURJTMIESA-N	202.641	-0.132	50	10	BBGE	
CONCCNC(=O)/C=C/C(=O)Cl	1883646902	FZZMXMIHCLFOSF-NSCUHMNNSA-N	206.629	-0.425	50	10	BBGE	
O=S(=O)(CCl)NCC[C@H](O)CCO	1893418801	FCBPLCNOPNXEMZ-LURJTMIESA-N	231.701	-0.765	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC=CC[C@H]1CO	1895419716	LHSMFWXSUYJYQH-LPEHRKFASA-N	225.292	-0.765	50	10	BBGE	
C[C@H](C(=O)NN(C)S(=O)(=O)C1CC1)[C@@H](C)N	1901349303	XQPIFEKADHGFIB-NKWVEPMBSA-N	249.336	-0.575	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCC[C@@H]1N)S(C)(=O)=O	1901373414	KMEHUTUODWLJLN-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CC[C@@H](N)C1)S(C)(=O)=O	1901374471	UODYPXMAIRKDNN-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)CSCC#N)C1	1902521276	GDPRYUZRXRIQFA-SECBINFHSA-N	242.109	-0.291	50	10	BBGE	
CC#CCNC(=O)c1csc(C)c1B(O)O	1902869670	YVPJJVKQYCAKKQ-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
C[C@@H]1C[C@H]1COc1cc(B(O)O)c(F)cn1	1903028425	YEGYHUVVSDLMPP-RQJHMYQMSA-N	225.028	-0.065	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@H](F)C2)nc1	1904944022	FOIONFHCPKBCFK-XWEPSHTISA-N	225.028	-0.112	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1[C@H](C)CC(=O)NN	1905534699	CKFMVCLNDKXANX-MRVPVSSYSA-N	234.259	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1CC(O)C1	1914575550	QOMTWQDLPCRINO-MZUZGICHSA-N	215.297	-0.544	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2ccc(=N)[nH]2)CC1	1917075932	IIFINTOWHHPWGG-UHFFFAOYSA-N	231.259	-0.022	50	10	BBGE	
NC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)CCl)C1	1928418402	FCLCDJYNBDACND-PHDIDXHHSA-N	240.712	-0.244	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)C2CC2)[C@H](Cl)C1	1928751954	XSHAKXFFLBSBIO-SFYZADRCSA-N	238.740	-0.010	50	10	BBGE	
CO[C@H]1CN([C@@H](C)C(=O)NN)CC1(C)C	1930243408	IZTDEAFBFFBWDT-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
C#CCOCCONC(=O)NC(=O)CCl	1930870804	ZMVCOSLAERUUSE-UHFFFAOYSA-N	234.639	-0.368	50	10	BBGE	
C[C@@]12C[C@H]1CN(CCOCC(=O)NN)C2	1932250372	WQEHSRAQORHURK-WPRPVWTQSA-N	213.281	-0.665	50	10	BBGE	
CO[C@H]1C[C@@H](N=C=O)CN(S(C)(=O)=O)C1	1934668587	JBHKGJZCOICKAG-SFYZADRCSA-N	234.277	-0.629	50	10	BBGE	
CNC(=O)NCc1scc(C)c1B(O)O	1935196576	IDZZVIHFURVQTH-UHFFFAOYSA-N	228.082	-0.835	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)CC[C@H]1O	1935932280	QBGOXOIIWZBQKY-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
CC1(C)CCN(C[C@H]2C[C@H]2C(=O)NN)C1=O	1936082677	FVSGINZPOKDCBW-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
C[C@@]1(CO)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936089499	CWALGVWOSNIOOC-IQJOONFLSA-N	227.308	-0.683	50	10	BBGE	
COCCN(C[C@@H]1C[C@H]1C(=O)NN)C(C)C	1936094353	MLSWNQCGMGGYGQ-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
O=C(CCn1cncn1)N[C@@H]1COC[C@@H]1Cl	1937146861	QQTUAVNTPAOCGP-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
OB(O)c1cnn(CC2[C@@H]3CCCC[C@@H]23)c1	1937643988	OOIJDXDJKIDQFQ-NXEZZACHSA-N	220.081	-0.001	50	10	BBGE	
C[C@@H]1COCCN(CC2(C(=O)NN)CC2)C1	1938246052	DERUEFWKONKNPA-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
Cn1c(O)nnc1SCC1(C(=O)NN)CC1	1938261283	YMWQGDKQEDFUCA-UHFFFAOYSA-N	243.292	-0.617	50	10	BBGE	
CN1CCC(N(C)C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941088381	PXSFIZHRHWTTPO-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN(CCF)CC1	1941091525	ZASCKQAXGORKKW-NXEZZACHSA-N	244.314	-0.801	50	10	BBGE	
CC(C)Oc1cnn(CCOCC(=O)NN)c1	1941780750	SXUKPMVHXVBBIC-UHFFFAOYSA-N	242.279	-0.323	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1CCOCC(=O)NN	1941784318	NHKJRFQAJILZHP-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CCn1cncc1CN1CC[C@H](B(O)O)C1	1951320652	OVGCGKRHQZTGQQ-VIFPVBQESA-N	223.085	-0.048	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@@](C)(O)CO	1954239662	OUOALYYEWANZST-POYBYMJQSA-N	209.673	-0.137	50	10	BBGE	
C[S@](=O)C[C@H](NC(=O)NN)C(C)(C)C	1955279134	VSIBRAXYOHCCTB-MDAAJZPYSA-N	221.326	-0.048	50	10	BBGE	
CSSCCNC(=O)CN1CC(N)C1	1956731177	JEBZKGRRPMLGBO-UHFFFAOYSA-N	235.378	-0.243	50	10	BBGE	
O=c1nc(Cn2cc(CCl)nn2)[nH]o1	1957058981	USQZJMXZSSSIHV-UHFFFAOYSA-N	215.600	-0.259	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1957730839	PDSWTHFGSOBBQC-YUMQZZPRSA-N	219.260	-0.983	50	10	BBGE	
NNC(=O)c1ccc2c(c1)CCS2(=O)=O	1961250851	NEWVZPQCVAINSH-UHFFFAOYSA-N	226.257	-0.380	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(CCO)C(=O)C1	1961453098	DTIKGSHQFBSQHZ-SSDOTTSWSA-N	234.683	-0.723	50	10	BBGE	
COC[C@H](O[C@@H]1CO[C@@H](C)C1)C(=O)NN	1961628863	MEENZNQPUDBPGG-FXQIFTODSA-N	218.253	-0.815	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3COC[C@@H]32)CC(=O)O1	1962329427	HCTPNNVMVSLCTC-RNLVFQAGSA-N	211.217	-0.736	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1	1965410652	QDUSLLXHKLTFIK-NSHDSACASA-N	229.044	-0.786	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOc2ncccc21	1981044166	WNZJMEBUTMZNDM-ZETCQYMHSA-N	222.248	-0.341	50	10	BBGE	
CCN(C)C1CCN([C@H](C)C(=O)NN)CC1	1981059086	RCEQIGXHROEFJO-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CN(C)CC1[C@H]2COC[C@H]12)C(=O)NN	1982259886	DYVXBQJDIJXCQI-SZEHBUNVSA-N	227.308	-0.563	50	10	BBGE	
C[C@H](Cn1ccc(B(O)O)n1)N1CCCC1	1988031204	XMERSGSMCXUXEG-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@]1(C)O	1989511682	FZBVMONGSRLCAP-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCC=CB(O)O)CCO1	1991328410	FIINWCGEMBDTBX-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCC=CB(O)O)CCO1	1991328411	FIINWCGEMBDTBX-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)/C=C/C(=O)Cl	1991712954	NAGYRXPWYSTXOI-AIZGCQSOSA-N	244.678	-0.461	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1[C@@H]2COC[C@H]1C2	1992321349	ZSXDFHIKDFZXAE-YIZRAAEISA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2cc(B(O)O)ccn2)[C@H]1C	1998450295	KUJJWLZCIHZJEM-BQBZGAKWSA-N	234.064	-0.398	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2CC[C@@H](O)C[C@@H]21	2001965946	DTBSFBCNZFHCJT-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
Cc1cc(O[C@@H]2CCCOC2)ncc1B(O)O	2004935448	NUFJBHUOTDSEHN-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
CCCCOCCOc1ncc(B(O)O)cn1	2004950278	DCUUBSFVNGMQOQ-UHFFFAOYSA-N	240.068	-0.648	50	10	BBGE	
COc1nc(N2C[C@H](C)[C@H]2C)ncc1B(O)O	2005017713	JIJUEWOIDKZOFK-NKWVEPMBSA-N	237.068	-0.990	50	10	BBGE	
Cc1ccc(COCCN(C)C)cc1B(O)O	2007010540	RLAQEYLKEKHMQG-UHFFFAOYSA-N	237.108	-0.247	50	10	BBGE	
CCC1CC(Cn2cccc(B(O)O)c2=O)C1	2008841010	UXGRBBPJWNUEAR-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
C[C@@H](CCn1cccc(B(O)O)c1=O)C(F)F	2008844847	TVWYQIKTXVDQIG-ZETCQYMHSA-N	245.034	-0.181	50	10	BBGE	
CC(=O)NNC(=O)CO[C@H]1CC[C@H]1CC(=O)O	2013850205	DZWPYMCAEJRPKT-YUMQZZPRSA-N	244.247	-0.576	50	10	BBGE	
COC[C@@H]1CCN(CC2(C(=O)NN)CC2)C1=O	2018140894	ITCJTTCCCGULFM-QMMMGPOBSA-N	241.291	-0.749	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)Cc1cnnn1C	2019940861	ICCMJNMCOGJSBQ-VIFPVBQESA-N	240.311	-0.595	50	10	BBGE	
O=C(NCC=CB(O)O)C12CCCN1CCC2	2020058582	HLLFRPWITUZRLW-UHFFFAOYSA-N	238.096	-0.701	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2CN(C)C2)c1	2022091112	NCKPYVQLKITWMN-UHFFFAOYSA-N	235.092	-0.385	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccccc1B(O)O	2022196047	FYHLNVDNYXDBTD-JTQLQIEISA-N	233.076	-0.105	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]12CO[C@](CF)(C1)C2	2023947209	BQPJUPRZBUOVPO-INTQDDNPSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ccc(B(O)O)cn3)C[C@@H]12	2025801400	REEQCYCSSFVHBK-YWVKMMECSA-N	232.092	-0.146	50	10	BBGE	
Cc1cc(N2CC[C@@H](N(C)C)C2)ncc1B(O)O	2052471647	GPVYQNVURLYZIT-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
N#Cc1c(C=O)cc(C(F)F)cc1B(O)O	2060231715	LFORFMGREJIXOD-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CCc1ccn(Cc2nscc2B(O)O)n1	2211137173	BQGXNSDLAWMLSK-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@H](CO)C1	2211838576	IUCYWVHKYFEFQF-AEJSXWLSSA-N	227.308	-0.683	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1ncccc1B(O)O	2212610077	BYGGKAHQCGATBM-PSASIEDQSA-N	222.053	-0.649	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CC[C@H]1O	2215770539	CHUMLDDJGSLQDS-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CC(C)C1(O)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215774789	FGYKZAUBQMFSBP-NXEZZACHSA-N	241.335	-0.295	50	10	BBGE	
COc1ccc(NC(=O)C2CC2)c(B(O)O)c1	2215808777	XZZUBFFTYNWORK-UHFFFAOYSA-N	235.048	-0.277	50	10	BBGE	
CO[C@H]1C[C@@H](COc2ccncc2B(O)O)C1	2216461240	OKTORUFAYHWWGP-DTORHVGOSA-N	237.064	-0.435	50	10	BBGE	
CNC(=O)[C@H](C)N(C)CC1(C(=O)NN)CCC1	2216532066	JVIRMSRIIONDJI-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C[C@H](C)CO)C1	2216686473	KEOAKUUBFDJOGV-QMMMGPOBSA-N	243.307	-0.896	50	10	BBGE	
COC1CC(CNc2ncccc2B(O)O)C1	2217171832	FQQBCBCEKXJWQG-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
CC[C@@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2217172529	KXBVATXMDFTUOD-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)CNC[C@@H]1Oc1cc(B(O)O)ccn1	2217195122	FWDQBTXLDSMXHL-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCO[C@H]21	2217198741	FRNZQJAFQBDUJW-QXFUBDJGSA-N	234.064	-0.792	50	10	BBGE	
CC[C@H](COC)N(C)c1cc(B(O)O)ccn1	2217201126	CHSAXIAQDXIKSI-SNVBAGLBSA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cccc(CN2CCN[C@@H]3CC[C@@H]32)c1	2220061585	CIYQFNKIRJCNAY-OLZOCXBDSA-N	246.119	-0.697	50	10	BBGE	
Cc1nn(C)cc1OCc1cccc(B(O)O)c1	2220063228	KLZULWRWAHZLQT-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CCOc1cnn(-c2cc(B(O)O)c(C)cn2)c1	2223615076	XIIIUQJPIAGVDW-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
Cc1ccc(CNc2cc(B(O)O)ccn2)nn1	2223634693	NQMOTMISQOGKPU-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
N#CCCN(CC1CC1)c1ncc(B(O)O)cn1	2223636950	NQZLKCDNPWFQTF-UHFFFAOYSA-N	246.079	-0.714	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)C12CCC2	2223643117	RTZPHWUMUUYARA-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
Cc1cnc(N2CCN(C)[C@H](C)C2)cc1B(O)O	2223645781	BYMXADGAQSXYEW-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCNCC23CC3)c1	2223664768	ZQLPBGDKQRBJHT-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@@H]2CC[C@H](C1)N2	2223672992	ITGXQBISCMEAMP-ULKQDVFKSA-N	247.107	-0.544	50	10	BBGE	
CCCC#CCOc1ccc(B(O)O)cn1	2242801957	RGMKDEPFWDFUOZ-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
CC(C)(C)[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243357136	RQSNOEUWVKLTHT-SECBINFHSA-N	223.081	-0.104	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccoc1B(O)O	2243362102	MDONVJLGOCTHEO-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1NC(=O)C#CB(O)O	2243362893	XXEFBNWJBHGCON-IMSYWVGJSA-N	221.065	-0.447	50	10	BBGE	
CN1CC(N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243381891	KBHXRPXOOAYUIU-OCAPTIKFSA-N	226.085	-0.988	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@@H]2C1=O	2243392802	XGCUFAVFGIQIAV-ZPFXWGDGSA-N	223.037	-0.756	50	10	BBGE	
CCN[C@H](C)CNC(=O)C1CC(B(O)O)C1	2243397197	XCPQRGSENYXNLT-AFPNSQJFSA-N	228.101	-0.646	50	10	BBGE	
O=C(Nc1cnoc1)c1nscc1B(O)O	2243399368	ZNTKMUWDAHPVIA-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)C#CB(O)O	2243400632	FKOAKEVYIQLLSX-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
COCC[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243404250	LHBLATFXWMSDBB-CIUDSAMLSA-N	229.085	-0.219	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2243420364	REQIHQJBHTVFDP-JBDRJPRFSA-N	227.069	-0.731	50	10	BBGE	
C[C@@H](CO)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243427188	RMNDAQUHPYFBRH-IWSPIJDZSA-N	229.085	-0.674	50	10	BBGE	
CCC[S@](=O)Nc1ncc(B(O)O)cc1F	2243589856	VLZFFPBEXPEOQD-INIZCTEOSA-N	246.072	-0.614	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)c[nH]1	2244151492	UAWNXVFHOZUXMO-LURJTMIESA-N	228.032	-0.876	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCc2ncsc2CC1	2244601099	CRKUADLVDKGMOQ-ZETCQYMHSA-N	240.332	-0.078	50	10	BBGE	
C#C[C@H](C)N(C)c1cc(B(O)O)c(Cl)cn1	2245912905	JDFQKNCXKLVSJX-ZETCQYMHSA-N	238.483	-0.127	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1coc(B(O)O)c1	2247734079	RICKJXCNZWETSN-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H](F)[C@H](F)C1	2247737233	FDNCHNBQMFSZMM-PHDIDXHHSA-N	244.990	-0.909	50	10	BBGE	
CCCN(C)C(=O)c1cn(CC)c(B(O)O)n1	2247746111	ULPOMIAGWWCJTR-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247749948	BWKCHWMXBHZPKW-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1CCN1C(=O)c1c(F)cccc1B(O)O	2247752982	ZNCOEWRLAGRAJG-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
N[C@H]1C[C@@](F)(CNC(=O)C2(B(O)O)CCC2)C1	2247753282	DYPOLJVGNGDUDN-XWEPSHTISA-N	244.075	-0.671	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1c(F)cccc1B(O)O	2247760515	JIQHXSBSMZTTJI-JGVFFNPUSA-N	241.002	-0.654	50	10	BBGE	
O=C(N1C[C@@H]2CNCC[C@H]2C1)C1(B(O)O)CC1	2247760971	AVKCYCFBCWDZLS-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
O=C(NC1C[C@H]2C=C[C@@H](C1)O2)[C@@H]1C[C@@H]1B(O)O	2247792403	SFICYTMZLKNPBS-LDRYSYKRSA-N	237.064	-0.549	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247799298	BPGWHZZBAIFGRQ-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247804029	DTGWCUIQQSFTNN-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
CC(C)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CNC1	2247805123	JNXZKOLTHCJENO-NXEZZACHSA-N	240.112	-0.694	50	10	BBGE	
CC(C)[C@@H](CO)CNC(=O)C1CC(B(O)O)C1	2247809561	ZNUJOGGTWDENMM-HWOCKDDLSA-N	243.112	-0.380	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1ccc(B(O)O)o1	2247842202	QOVPBXAIGFPNAP-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1ccc(B(O)O)o1	2247849284	YBXRRICEZPRBES-RQJHMYQMSA-N	241.027	-0.611	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)C#CB(O)O	2247851164	DHYRCVSIRQNQHW-IVZWLZJFSA-N	237.064	-0.972	50	10	BBGE	
CN(CCC1CNC1)C(=O)C1CC(B(O)O)C1	2247860322	VITDVLWQMRBNFP-UHFFFAOYSA-N	240.112	-0.693	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1coc(B(O)O)c1	2247867485	GKIUNZXBZHEGOC-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)C(=O)C1(B(O)O)CC1	2247870857	QYLACAVEAFWKFE-WAAGHKOSSA-N	239.080	-0.369	50	10	BBGE	
CC1(CONC(=O)c2occc2B(O)O)CC1	2247878480	KNSAFYKVABVJNW-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2247887140	KSKXUQZHUYHIFT-JDDHQFAOSA-N	238.096	-0.752	50	10	BBGE	
CON(C)C(=O)c1cc(C)cc(B(O)O)c1F	2247891824	OIFZUBSVPLUKEE-UHFFFAOYSA-N	241.027	-0.553	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)CO1	2247892106	UHSNUSPMFRKQMD-AFWXGSBKSA-N	241.096	-0.219	50	10	BBGE	
Cc1c(COC[C@@H]2CCO2)cccc1B(O)O	2248221868	WGFXZZUQRBDNSZ-NSHDSACASA-N	236.076	-0.020	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C=CCC1	2248397496	LHFNMZOVPVMVTP-QMMMGPOBSA-N	232.048	-0.334	50	10	BBGE	
Cc1cc(NC(=O)[C@H](C)CO)ccc1B(O)O	2248440316	GNOIBNRFIMJXCO-MRVPVSSYSA-N	237.064	-0.758	50	10	BBGE	
O=C(O)[C@@H](CC1CC1)NC(=O)C1(B(O)O)CC1	2248577787	OPFBEWRQLRADIM-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
C#CCN(C(=O)c1cocc1B(O)O)C1CC1	2249415502	FNMFXHKJIZXIDE-UHFFFAOYSA-N	233.032	-0.803	50	10	BBGE	
C=CC1CC(NC(=O)c2cc(B(O)O)co2)C1	2249427227	CMYWVHYZEFZKMV-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
CC[C@H](CCOC)C(=O)NCCC#CB(O)O	2249998675	LUSRLNQBFLFDSE-SNVBAGLBSA-N	241.096	-0.429	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NCCC#CB(O)O	2250003194	UYFWCWQJPWNMEN-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
C[C@]12C[C@](C(=O)NCCC#CB(O)O)(CO1)C2	2250005803	COWUCTWGBUHJJM-XYPYZODXSA-N	237.064	-0.923	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1coc(B(O)O)c1	2255443458	ARWKULDQZRFIIC-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255464596	YNTOOZQHDOGMEQ-SECBINFHSA-N	248.091	-0.267	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)c[nH]1	2255474964	VNVMXWHWIHUFFO-WEDXCCLWSA-N	248.091	-0.530	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1	2255514582	KPPVBZUYWZDWBV-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CC=CC1	2255549543	XPOGOHIWPKOLMY-SSDOTTSWSA-N	249.079	-0.826	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)[C@@H]1CC=CCC1	2255550401	MATDFALEMVETNW-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)c1ccoc1	2255690756	GWABZDCAVDNWPN-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NCCC#N)c1	2255691629	GBXNHTZYTBQROL-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1F	2255720587	ORSKYRZXMQGELR-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ncncc2B(O)O)C1	2255731097	ZZTXINVXRFHCCB-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1(C)COC1	2255734995	KUHHGVPDXPCPDY-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nn1cccc1	2255735238	PQSRDPTUTJQXJO-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
C#CCCNC(=O)c1ccc(OC)c(B(O)O)c1	2255743432	FYPYJKAHARPZTH-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1cnc(C(=O)N(C)[C@@H]2C[C@H]2C)c(B(O)O)c1	2255804655	GTOFSVCZKLOUJG-PSASIEDQSA-N	248.091	-0.450	50	10	BBGE	
CC#CCC(=O)N(C)Cc1ccc(B(O)O)cc1	2256675883	UJWBOEKJZXPASU-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)cc1C(=O)O	2256911933	JKDZLSOKATXPIJ-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2298370366	WZKNSJXQZBXHRU-PKIKSRDPSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371470	MBCMVRCVSXBZLK-BGZDPUMWSA-N	241.096	-0.628	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1CN	2298376013	BJIAPBASIRAKJI-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2298376315	RRCHJUOGMBCPTE-DOLQZWNJSA-N	239.080	-0.371	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC2(COC2)C1	2300391627	WWKOLCLQJBEGQT-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
OB(O)c1cnccc1OCc1ccncc1	2301813985	GYMAKGQEEWLYAB-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	2302059436	KGFCAPLZXNHOHR-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CC(C)CNC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	2303125027	VKATYOHQVBEMEY-NXEZZACHSA-N	242.128	-0.304	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2CC(F)(F)C2)C1	2303150025	HPPLMVZPAWQDLX-QMMMGPOBSA-N	248.038	-0.004	50	10	BBGE	
C#CCC(=O)Nc1cc(F)c(F)cc1B(O)O	2306883998	PHIKMKGVFQMWGZ-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
CC12CC(C1)[C@H](Nc1ncccc1B(O)O)CO2	2315944089	SWTPMNBXAURVHC-KRBLXSNTSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308264	JCDBCMNWTBSWDQ-VHRDEZTHSA-N	249.075	-0.640	50	10	BBGE	
CCOCC(=O)N1CCC(C(=O)NN)CC1	82463401	UQCCYMDDPUNFHU-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
COCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	82463658	CQGMQSFTULGREG-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
O=C=N[C@@H]1COCCN1S(=O)(=O)C1CC1	83877848	OJWGCPCIJVRSSL-QMMMGPOBSA-N	232.261	-0.527	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)CCO	85144615	VMQIUZKTYIVXFA-ZCFIWIBFSA-N	220.294	-0.342	50	10	BBGE	
CCOC(=O)C(=N\O)/C(C)=N/NC(=O)CC#N	100487297	LKAGRAHBXBUTNL-FZRNBKDTSA-N	240.219	-0.215	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C(=O)CCl	130223016	IHJKQASGYTVBTQ-SSDOTTSWSA-N	234.683	-0.411	50	10	BBGE	
CC(C)CNC(=O)[C@@H](C)NC(=O)NN	162624077	XPNIUPDKQFBGHH-ZCFIWIBFSA-N	202.258	-0.680	50	10	BBGE	
CC(=O)Nc1nc2ccc(B(O)O)cc2o1	201713517	KTGSXMSHRWAQIG-UHFFFAOYSA-N	219.993	-0.534	50	10	BBGE	
CN1CCN(C(=O)/C(C#N)=C\NC2CC2)CC1	217258372	KXXIBFBOBLDRGM-KTKRTIGZSA-N	234.303	-0.080	50	10	BBGE	
C[C@@H](Br)C(=O)NCC(N)=O	229231454	NAYINEQLCFKUFC-GSVOUGTGSA-N	209.043	-0.629	50	10	BBGE	
C[C@H]1CN(C)CCN1Cc1ccc(B(O)O)cc1	235598075	RCLZOCLOEZAGHH-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
O[C@@H]1[C@@H]2CCO[C@@H]3OC[C@](O)([C@@H]1Cl)[C@H]32	257501722	OFZRLVSQPBQNQB-GWKQWKOUSA-N	220.652	-0.292	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)CC[C@H]1C	299981993	NRORNTSMTNTJEY-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
O[C@@H]1CO[C@H](F)[C@H](Br)[C@@H]1O	306186135	JOCHESIJDDGQGG-AIHAYLRMSA-N	215.018	-0.203	50	10	BBGE	
COC(=O)c1c(CC(C)C)cc(B(O)O)n1C	310029738	RSFJDEQHVRBATQ-UHFFFAOYSA-N	239.080	-0.310	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CCOCCO	310275995	SZOXCUKOGAOUTQ-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
O=C(CCCl)N1CCC[C@](O)(CO)C1	313688959	QBENUQBJMSLHEY-SECBINFHSA-N	221.684	-0.039	50	10	BBGE	
C/C(=N\NC(N)=O)[C@@H]1COCC[C@]1(C)O	379699820	CXFDDOZNGWTUKH-AZIKSDGPSA-N	215.253	-0.182	50	10	BBGE	
O=S(=O)(CCl)NCCCn1cnnc1	381932056	RKDFDAPRPDMVIG-UHFFFAOYSA-N	238.700	-0.216	50	10	BBGE	
Cc1oc(CN2CC(O)C2)cc1C(=O)NN	384139026	MUJDVGKDVLPHOS-UHFFFAOYSA-N	225.248	-0.632	50	10	BBGE	
Cc1cccc(=O)n1Cc1nc(C(=O)NN)co1	386876623	XVVCQQNOWBBMKL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCN(CCO)Cc1nc(C(=O)NN)cs1	393184941	OKRGKVPTEQEKAZ-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
CCOc1ccc(B(O)O)c(CC(C)=O)c1	396077640	NFZPKJXMHVSMQI-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
N#Cc1c(CO)sc2c(B(O)O)cccc12	396231089	ZNFQYEPDMBIDGG-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccncn1	396601435	BGACJUFCLKXLGD-SSDOTTSWSA-N	209.253	-0.713	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@H](C)C1	399637214	FUCZSCQJFPYCCN-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[S@@](=O)Nc1ccc(F)cc1B(O)O	404840148	AMWISMSMRJUYIC-CQSZACIVSA-N	217.030	-0.789	50	10	BBGE	
Cc1nn([C@H]2CCOC2)c(C)c1B(O)O	575596866	JPSLHCNXMCGURO-QMMMGPOBSA-N	210.042	-0.859	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)C(=O)C(=O)NN	687452344	HCAMWKFWYLHKOW-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CC12CCOCC2	689978615	UQSFMZOUFHWDJX-LURJTMIESA-N	229.305	-0.333	50	10	BBGE	
CN(C)CCN(CC(=O)O)C(=O)NN(C)C	695366009	CXMHYNPJYFTWKB-UHFFFAOYSA-N	232.284	-0.879	50	10	BBGE	
CC(C)CCO[C@@H]1CCN(C(=O)C(=O)NN)C1	701821549	QYSCWBJZIBATMG-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
CNNC(=O)c1nc2nc(C)cc(C)n2n1	707623762	UQTPXSTWNBOQAH-UHFFFAOYSA-N	220.236	-0.395	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@](C)(CO)COC	708525857	HWJBCDYOJWTNBK-GXSJLCMTSA-N	247.339	-0.526	50	10	BBGE	
C[C@H](CN1C[C@H]2CSC[C@H]2C1)C(=O)NN	711525183	JYBSQZODLBFCMP-HLTSFMKQSA-N	229.349	-0.093	50	10	BBGE	
CC(C)NC(=O)N1CCc2c(B(O)O)cccc21	712134870	XKPOOJGOUWFFTR-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
Cl[C@H]1CCOC[C@@H]1NCCn1cnnn1	712594640	RXMPEUKQHOXEBT-YUMQZZPRSA-N	231.687	-0.341	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287632	XHHFYGHKKZZBDA-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1CCCN(C)C1=O	823889362	TYNJEIQATLRKTR-VIFPVBQESA-N	243.307	-0.800	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)C	929288997	ZAKPBXGDGAIAFA-RNFRBKRXSA-N	200.238	-0.175	50	10	BBGE	
O=C1NC[C@@H](CNS(=O)(=O)CCl)O1	1260939155	LJEDAPYZVAZUNN-BYPYZUCNSA-N	228.657	-0.790	50	10	BBGE	
Cc1cnn(CCC(=O)NNc2nc[nH]n2)c1	1306853179	NENQTFALOYIOBA-UHFFFAOYSA-N	235.251	-0.157	50	10	BBGE	
O=C(CCO)NN=Cc1cnn2cccnc12	1335769036	UQRZERXCYJPRIJ-UHFFFAOYSA-N	233.231	-0.438	50	10	BBGE	
CCC[C@@H](OC)C(=O)NNC(=O)c1ncon1	1439774085	PATDSEWDUVDFCC-ZCFIWIBFSA-N	242.235	-0.354	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)c1cnn(C)c1	1611094663	HQCRAVDLNVDNCN-ZETCQYMHSA-N	240.263	-0.947	50	10	BBGE	
CC[C@@H](CC(F)F)C(=O)NNC(=O)CO	1654451054	OWHLWIXWXQMNQB-YFKPBYRVSA-N	224.207	-0.193	50	10	BBGE	
NS(=O)(=O)C[C@@H]1CCN(C(=O)F)C1	1882786812	FNFIBYYNUFHVQK-RXMQYKEDSA-N	210.230	-0.314	50	10	BBGE	
O=C(CCCl)NC1([C@H](O)CO)CC1	1882988632	MIUTVNXEMXXMQA-ZCFIWIBFSA-N	207.657	-0.383	50	10	BBGE	
NC[C@@H](OCC1CC(Cl)C1)C(N)=O	1883635096	RXUMRFMTGJYXOU-KPGICGJXSA-N	206.673	-0.167	50	10	BBGE	
C=C(CN1CC[C@H](SC)C1)B(O)O	1883744797	RAIFXCZEBRJMCT-QMMMGPOBSA-N	201.100	-0.008	50	10	BBGE	
C[C@@H](NC1CC(Cl)C1)C(=O)NC(N)=O	1884420232	UPZNDPYOKHNLQR-IISSFJTQSA-N	219.672	-0.071	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@@H]1OC[C@H]1C[C@H]1Cl	1893098322	HXOONARQGHFKDJ-XUTVFYLZSA-N	239.724	-0.245	50	10	BBGE	
O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)C[C@H]1O	1897228212	CSEUYCHIYJNPTJ-WCTZXXKLSA-N	247.678	-0.092	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@@H](F)C1	1900250475	KQPLZHZIUKGSEL-VIFPVBQESA-N	233.287	-0.183	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	1900377743	ZXVSNEJFSZISAC-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)[C@@H]1CCCCO1	1900390379	ILFIRJOPZMOSNK-YUMQZZPRSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC(CO)C1	1900505081	CGROYOOGKVQMGT-UWVGGRQHSA-N	227.308	-0.683	50	10	BBGE	
CC[C@@](C)(CN1CC(F)(CO)C1)C(=O)NN	1902712712	HEBVHGYOFGNGLP-VIFPVBQESA-N	233.287	-0.591	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907249404	CEKFKIZZEFEASK-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@H](CC1=O)C2(F)F)C(=O)NN	1912338799	IOCFBBRGCPFTQJ-DSYKOEDSSA-N	247.245	-0.274	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=O)nc1	1913972333	AJVMZOMVJSOBED-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1ccc(C(=O)NN)o1	1914254247	IWBXWQWIUUEKQB-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H](C)C(=O)NC	1916199757	BQFOOEOLEMMAIH-YUMQZZPRSA-N	230.312	-0.789	50	10	BBGE	
CC(C)CCN(CCO)C[C@H](C)C(=O)NN	1924502083	NWRFOZRVDSHBHX-JTQLQIEISA-N	231.340	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](CF)C1	1927908097	MXQQDYHLWIDGRL-IWSPIJDZSA-N	215.272	-0.096	50	10	BBGE	
C[C@@H](CN1CC(C)(C)[C@H]1CO)C(=O)NN	1929740070	DVXDBAFVODJMDO-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)[C@@H](F)C1	1929912431	HQUQUBKFJOCBEQ-YUMQZZPRSA-N	219.260	-0.839	50	10	BBGE	
COC[C@H](NC(=O)[C@@H](C)CCl)C(N)=O	1932166349	SKANZKHZWSBEIQ-WDSKDSINSA-N	222.672	-0.522	50	10	BBGE	
COC[C@H](O[C@@H]1CCCOC1)C(=O)NN	1932289524	FYBHERDBMBLLCX-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
Cl[C@@H]1COC[C@H]1CNCCn1cnnn1	1933387563	VJAJQTMXENFLCW-HTQZYQBOSA-N	231.687	-0.484	50	10	BBGE	
C[C@@H]1COCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094300	LXMGLGRFUZZMKA-AEJSXWLSSA-N	227.308	-0.419	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2OCC[C@H]2C1	1938635898	JGKMUNGGRPHNQB-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
COCCN(CCC#N)C[C@@H]1C[C@@H]1C(=O)NN	1941087076	LMZPWCXVWBVICM-UWVGGRQHSA-N	240.307	-0.526	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@H]21	1941091553	ZFWDPBMLSXLSBT-OGBGREFGSA-N	238.335	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1C[C@@H]1C[C@@H]1C(=O)NN	1944568391	FKJOARNSNGMPCW-ORMBPQIASA-N	241.335	-0.296	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1946076861	WFAVXJDLRJHORJ-BDAKNGLRSA-N	244.339	-0.413	50	10	BBGE	
CN1CC[C@H]([C@@H]2CC(=O)OC2=O)CC1=O	1951739410	OZZATOBEZSKAKR-BQBZGAKWSA-N	211.217	-0.056	50	10	BBGE	
CCOC(=O)c1nn(C)cc1[C@H](N)[C@@H](O)C#N	1953043608	YGWHSYNUUKXDKF-YUMQZZPRSA-N	238.247	-0.519	50	10	BBGE	
C[C@H](SCCOCCN)C(=O)NN	1953963642	JWPDOXUYZPLIRH-LURJTMIESA-N	207.299	-0.927	50	10	BBGE	
O=C(CCl)C[C@H]1CS(=O)(=O)CCN1	1954339974	FZKRRGPUIARBNV-LURJTMIESA-N	225.697	-0.429	50	10	BBGE	
C[C@@H](CN1C[C@@H](F)[C@H](F)C1)C(=O)NN	1956627691	TZTWDLJTQMMMAN-RRKCRQDMSA-N	207.224	-0.396	50	10	BBGE	
COC1(CF)CN([C@@H](C)C(=O)NN)C1	1956669713	VRZOIHTVFZTNBM-LURJTMIESA-N	205.233	-0.965	50	10	BBGE	
CN(CC(=O)NN)Cc1ncc(Cl)n1C	1957515345	HFGYIYJUDLCNSY-UHFFFAOYSA-N	231.687	-0.505	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1958102084	GQUNOTIKSQTWMM-WDCZJNDASA-N	219.191	-0.864	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](F)C[C@@H]1C	1958676487	IDHPHFUCSDUVLZ-XLPZGREQSA-N	219.260	-0.576	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cocn1	1958690761	AECSBKLWWBEEFA-SSDOTTSWSA-N	212.253	-0.125	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(C2CC2)C1	1961150759	JJGTWDNOGWXYAM-UHFFFAOYSA-N	211.265	-0.471	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	1961364319	HGUCBSUHIWCRIQ-VPENINKCSA-N	219.191	-0.023	50	10	BBGE	
C=CCCOc1ncc(B(O)O)c(C)n1	1961694017	ICUQPTWTZATWMW-UHFFFAOYSA-N	208.026	-0.580	50	10	BBGE	
CC1(C)CCN1c1ccncc1B(O)O	1961695743	IMNWBRCJPKJYBZ-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CCO[C@H]1C(N)=O	1962122134	WHLKCRXBGKBCGR-RRKCRQDMSA-N	234.683	-0.237	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	1962375670	GMUSCRSWESWBHM-LYFYHCNISA-N	234.683	-0.549	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)OC1CCC1	1976979033	HCJSQBWWDSHTDU-ZCFIWIBFSA-N	231.013	-0.809	50	10	BBGE	
CN(C(=O)C(=O)NN)C1C[C@@H]2CSC[C@H]2C1	1976989260	SSCIUYBEMMZKEV-RNFRBKRXSA-N	243.332	-0.424	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1	1978310506	MOCIHHNCSQTZIY-ZCFIWIBFSA-N	235.234	-0.082	50	10	BBGE	
CC[C@@H](COC)N(C)CCOCC(=O)NN	1979241336	LXPNNUGSLLKKAV-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@@H]1C	1979617267	YLKVAKPVWIKBQY-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@H]21	1980228988	OQVBQPXZVZRPIL-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@]2(C1)NC(=O)NC2=O	1980854540	SWQNOANGQUPARO-IMTBSYHQSA-N	242.666	-0.599	50	10	BBGE	
CN(CC(C)(C)F)c1ncncc1B(O)O	1981413263	DMRIBLSPIQVWOG-UHFFFAOYSA-N	227.048	-0.659	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](F)C2)c(F)c1	1981472830	UBGADMMXOBQAKL-SSDOTTSWSA-N	228.007	-0.551	50	10	BBGE	
CN(C)[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1982385701	XDXFYDPWXLUNOW-MYJAWHEDSA-N	226.324	-0.467	50	10	BBGE	
CC(C)(C)[C@@]1(O)CCN(CCC(=O)NN)C1	1983789462	VYTUKVNONFTWNP-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)C(F)(F)CCN(CCO)C1CC1	1984128639	RRVVSUPNZMZSBN-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
O=C1CN(C2CN(CC(F)F)C2)CC(=O)O1	1985648452	KXIVWWSSYSWWFN-UHFFFAOYSA-N	234.202	-0.679	50	10	BBGE	
Cn1cc([C@H](N)C(=O)NC[C@@H]2C[C@@H]2Cl)nn1	1991454132	XQDCGBKEHGHENC-HAFWLYHUSA-N	243.698	-0.442	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1C[C@H](CO)CO1	1991716432	JSCXQYYVOAAETM-FLPBZWPXSA-N	247.678	-0.178	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](c2cnn(C)c2)C1	2004400212	XFWXBXKLGVROAJ-IUCAKERBSA-N	237.307	-0.412	50	10	BBGE	
C[C@H]1N(c2ccc(B(O)O)cn2)CCC1(F)F	2004914879	SWYOCVYPFREYMP-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
C[C@H]1C[C@@H](N(C)c2ccncc2B(O)O)CO1	2004940597	YHXBZMVEELGAQP-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
CON(CC(C)C)c1nc(C)ncc1B(O)O	2005018884	ZTOHKNAUNHWLPJ-UHFFFAOYSA-N	239.084	-0.511	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1ncn(C)n1	2008806928	NWFHYBPJHAVDOI-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
C[C@@H]1CC(=O)N(CCC(F)(F)C(=O)NN)C1=O	2008867294	OGFDTBUXDITSHV-RXMQYKEDSA-N	249.217	-0.603	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008974684	HXJHYODHODIQNZ-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
Cc1ncn(C)c1CN(C)[C@@H](C)CC(=O)NN	2014918192	ACHYGIKJYAMLOT-QMMMGPOBSA-N	239.323	-0.071	50	10	BBGE	
CC(C)(CCF)C(=O)N[C@@H](CB(O)O)C(=O)O	2016756896	BCNNOJIXUODESD-LURJTMIESA-N	249.047	-0.586	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H]1CF	2016763776	WTZHEQJQVOXBAX-RQJHMYQMSA-N	238.027	-0.695	50	10	BBGE	
NNC(=O)c1coc(CN2CC([N+](=O)[O-])C2)c1	2016889725	YVJFAENFJHEBEE-UHFFFAOYSA-N	240.219	-0.656	50	10	BBGE	
C[C@H](O)CN(C)C[C@H]1CCC[C@H](C(=O)NN)O1	2018243794	VYMDEQJREPZLCS-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCCC[C@H]1F	2020493795	MXVRCEYFTBHYLU-BDAKNGLRSA-N	240.043	-0.184	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	2026300275	YSMOFUPKWDYHAC-ZDCRXTMVSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2cccnn2)c1	2029100827	WFTAGKJYIBWQSN-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)c1cnn(C)c1	2051204249	PJFCOSNCSRBMRE-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1C1CCCC1	2052471887	ICFGCVYHYXKOOE-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2C[C@H]3COC[C@H]3C2)ccc1B(O)O	2052625529	MIRHSCMJZQCVPW-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
OB(O)c1cscc1COCCF	2209231649	AIUDAVYDFOZZET-UHFFFAOYSA-N	204.031	-0.086	50	10	BBGE	
NC(=S)NNC(=O)[C@H](F)C1CCC1	2209312619	AANWMWQXBVAKQS-RXMQYKEDSA-N	205.258	-0.011	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](O)C1	2210693708	NUTBTEFKJVMWSC-XAVMHZPKSA-N	231.271	-0.983	50	10	BBGE	
CC1=CCN(c2cc(B(O)O)ccn2)CC1	2212601053	HYBYEPJFGTXAOC-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]2CF)[nH]c1	2212603079	BZLDLAWSYHNVCP-JGVFFNPUSA-N	224.044	-0.799	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]3C2)c1	2212615610	RMHNLSDDZXQNOD-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2(CC[C@@H]2O)C1	2215771144	GLQGJPQZHRWUCT-BBBLOLIVSA-N	239.319	-0.541	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@@H]1CC[C@@H]1C(=O)NN	2215772095	LUUTXXPHNNHTBS-IUCAKERBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](O)C2)CCCC1	2216871432	NOPDJUWRYSGAHO-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccnc(N(CC(F)F)C2CC2)c1	2217172503	KMGFLPRSJUFCAG-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
CCN1CC[C@H]1CNc1ncccc1B(O)O	2217177954	PKQYLKYIFXYLQZ-VIFPVBQESA-N	235.096	-0.733	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cnn[nH]1	2217178095	RKBVHOCMHDQFCC-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@H]1C[C@H]1C(=O)NN	2217193138	SDSJGRCWVNHSQQ-MXWKQRLJSA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@@H]1COCCN1C[C@H]1C[C@@H]1C(=O)NN	2217193139	SDSJGRCWVNHSQQ-VWYCJHECSA-N	241.335	-0.031	50	10	BBGE	
CN(Cc1ccco1)c1cc(B(O)O)ccn1	2217199135	ARHNIVCFNXQNKK-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
C=CCOCCCN=c1ccc(B(O)O)c[nH]1	2217202838	MAKNWFAHQWBVIN-UHFFFAOYSA-N	236.080	-0.812	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC23CCC3)[nH]c1	2217203620	YBLKBTNIFITQMZ-QMMMGPOBSA-N	233.080	-0.820	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)c1ncccc1B(O)O	2223635883	COIFAAVGYJAKQD-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](O)CC23CCC3)c1	2223638187	VGUDSGQKLSFMQE-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
COC[C@@H]1C=CCCN1c1ccc(B(O)O)cn1	2223649604	ZOXRNRBWLBTYIH-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3CC[C@H]2O3)nc1	2223677276	MAYLKHWEVMBAQL-IVZWLZJFSA-N	249.079	-0.722	50	10	BBGE	
CNC1(C(=O)N[C@H]2C[C@H](Cl)C2)COC1	2241658153	DIHIEHBNMHIUDH-LJGSYFOKSA-N	218.684	-0.139	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1	2242751309	QUHWJEXHCLCGTO-OJOKCITNSA-N	223.276	-0.519	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCC[C@@H](C2)C1	2243356885	OFDYEJLEFYQXJT-UWVGGRQHSA-N	221.065	-0.350	50	10	BBGE	
CCOC(=O)CN(C)C(=O)C1(B(O)O)CC1	2243365316	KYMJIGGSEIVGMY-UHFFFAOYSA-N	229.041	-0.985	50	10	BBGE	
CC(C)(N)CCNC(=O)C1CC(B(O)O)C1	2243396293	KKGQNJKDWWGGGR-UHFFFAOYSA-N	228.101	-0.517	50	10	BBGE	
C#CCN(CCC)S(=O)(=O)CC(=C)B(O)O	2243419544	BDTHXFDWEVOTQM-UHFFFAOYSA-N	245.109	-0.770	50	10	BBGE	
CC(C)S(=O)(=O)NC(=O)C1CC(B(O)O)C1	2243759099	QXSVLHKTTZGDLO-UHFFFAOYSA-N	249.097	-0.906	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1Cn1cc(B(O)O)cn1	2243817438	IEJHMWRMHUBWQM-PSASIEDQSA-N	224.069	-0.765	50	10	BBGE	
CO[C@H]1COC[C@H]1N1CCC(B(O)O)CC1	2244180537	OGFMAFFTIHIEGC-ZJUUUORDSA-N	229.085	-0.661	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244206617	ZEPSITVZTDEOQV-SSDOTTSWSA-N	225.053	-0.170	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@@H]2C1	2246750516	VLXIVMDCOJBJQR-CKYFFXLPSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C(F)F	2247721796	IBBGVPJMOKNIRX-YFKPBYRVSA-N	244.006	-0.855	50	10	BBGE	
COC[C@H]1CC[C@H](NC(=O)C#CB(O)O)CC1	2247747563	PDNFDQDGYYGDLI-MGCOHNPYSA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1CNC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247755445	QAAZXCORBNXUNU-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
NC[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247755605	IZVOFAQPMAZIDF-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
O=C(Nc1ccccn1)c1occc1B(O)O	2247756250	MZVUNQDSEREVKU-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CCC[C@@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2247756632	SXODFIQZNZCMQP-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
CNCCC[C@H](C)N(C)C(=O)C1(B(O)O)CC1	2247757980	TUMRPWJMJLDOQX-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]1C1CC1)C1(B(O)O)CC1	2247762989	LFCUCAMARIKGIU-BDAKNGLRSA-N	238.096	-0.750	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787746	TZXFTOMJHPUVJM-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C#CCOCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789955	DGONLAGFXKZSFY-AOOOYVTPSA-N	239.080	-0.605	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)c1ncon1	2247790489	HSMKCDGGNHETTJ-DSYKOEDSSA-N	239.040	-0.848	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247791060	LANGQYLIASFUKG-AATLWQCWSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1ncon1	2247796849	DKQNOBPPKDJDPR-GRQBKTHUSA-N	239.040	-0.500	50	10	BBGE	
CCOC1CC(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797556	KUHDUMPMNJPRFF-YDYPAMBWSA-N	241.096	-0.219	50	10	BBGE	
N[C@@H]1[C@H]2CC[C@H]1N(C(=O)C1CC(B(O)O)C1)C2	2247799994	KDKNOIGZLVRQID-CQPCXZHNSA-N	238.096	-0.813	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCCC[C@@H]1O	2247842613	XPQGOBMMDNRTFV-UWVGGRQHSA-N	239.080	-0.846	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]1c1ccccc1	2247849062	UQZYMDJISVTRMV-QWRGUYRKSA-N	229.044	-0.326	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1occc1B(O)O	2247852912	BXZYJXIACDKNHF-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](N)[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247854542	DZHDBTPRNKARLK-DKEVHCRPSA-N	240.112	-0.565	50	10	BBGE	
O=C(N1CC[C@@H]2NCC[C@@H]2C1)C1(B(O)O)CC1	2247856392	JAGGLPRMQUXVLP-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1ccoc1B(O)O	2247868286	FBAJUACBDQZURY-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ncccc1B(O)O	2247869150	MQBOLFWAWCZYAF-CBAPKCEASA-N	234.064	-0.710	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247877307	FZWQSNOQRFVXII-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
Cc1cc(=NC(=O)C2(B(O)O)CCC2)[nH]n1C	2247877752	JUXFWRGUYLWQTR-UHFFFAOYSA-N	237.068	-0.514	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(C)c(B(O)O)o1	2247881023	PQLLDHZHOHJOTM-QMMMGPOBSA-N	235.048	-0.426	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CC(CO)C2)C1	2247897822	XFDIIPFOGQZNRC-RKDXNWHRSA-N	239.080	-0.920	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2248576886	JKDSXJSUDDHAJL-BWZBUEFSSA-N	241.052	-0.828	50	10	BBGE	
CC(C)[C@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248578327	MXHLTALLAFNELH-XSSZXYGBSA-N	243.068	-0.535	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248593178	KIRUWIUFHXBTGC-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CN(C)C(=O)C#CB(O)O	2248643303	ZGNLNAZBWJDVQD-KOLCDFICSA-N	239.080	-0.867	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H](C)C(F)F)n1	2249479990	WMUHQPOAYLYINQ-YFKPBYRVSA-N	246.022	-0.194	50	10	BBGE	
CNCC(C)(C)N(C)c1ncccc1B(O)O	2251046476	HGNOWHCNTAUETN-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
O=C(Nc1ccc2nncn2c1)C1(B(O)O)CC1	2255487691	TTWYICRAOUTBQH-UHFFFAOYSA-N	246.035	-0.325	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1CCOC1	2255512668	DGCNSMBCEJRVPK-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ncccc1B(O)O	2255516610	NWYPDOHREMUDRS-QXFUBDJGSA-N	246.075	-0.710	50	10	BBGE	
O=C(NCCCc1ccccn1)[C@@H]1C[C@@H]1B(O)O	2255565963	WTETWYBLVSOIFO-MNOVXSKESA-N	248.091	-0.007	50	10	BBGE	
CC=C1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2255727870	WWAGXCUKGBHPSX-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CC=CC1	2255743501	GZBFWTYOQUZRRZ-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C=C1CC(CNC(=O)c2cc(C)c(B(O)O)o2)C1	2255781387	MVTNDIBSPGQEDZ-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@H]21	2258128260	OYYWWRCZKWZIQY-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C=C[C@@H]2C3)nc1	2298224513	LHIIWZNGEGVMTP-QXFUBDJGSA-N	231.064	-0.467	50	10	BBGE	
CC(C)C[C@@](C)(CN)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368723	ULZWLMAIASOLSN-YWVKMMECSA-N	242.128	-0.271	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2COC[C@@H]2C1	2298371607	PXOSBQPONXQVOB-UTINFBMNSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC(O)C[C@@H]2C1	2298377143	GHTNPODTDLUTGJ-GTDKDYCYSA-N	239.080	-0.921	50	10	BBGE	
N[C@H]1C[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2301419287	MVDYAFJOBANBMZ-WAAGHKOSSA-N	235.048	-0.953	50	10	BBGE	
CN[C@@H](C)COc1ccc(C=O)c(B(O)O)c1	2301453052	PLYPHVJNVDRMPX-QMMMGPOBSA-N	237.064	-0.834	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302401957	QFIAKUJROLPHPH-RCWTZXSCSA-N	240.351	-0.221	50	10	BBGE	
CC[C@@H]1C[C@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847870	PPPIDUSRUKCDCF-SFYZADRCSA-N	238.071	-0.220	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@@H]2CC[C@H]1C2	2313399838	LPUGGLJRMVBWCU-UTLUCORTSA-N	248.091	-0.029	50	10	BBGE	
C#CCC1CN(c2ccc(B(O)O)cc2C#N)C1	2317150651	HSXRIROVSBZPJZ-UHFFFAOYSA-N	240.071	-0.302	50	10	BBGE	
CCNC=C(C#N)C(=O)NCCCC(=O)O	2325005392	VMRPAXPZJCEIAQ-UHFFFAOYSA-N	225.248	-0.016	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)C1	86313480	ZRXYJBPOVVHOHM-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCCC2=O)O1	104112096	PKCSUPXXRHUTTD-BDAKNGLRSA-N	241.291	-0.464	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2ccnc2C1	110583147	BUTOSKAXGVEFIL-JTQLQIEISA-N	237.307	-0.287	50	10	BBGE	
Cn1cc(/C=C\C(=O)CCl)c(=O)n(C)c1=O	211291688	IQZLYSZMFLSMHK-ARJAWSKDSA-N	242.662	-0.095	50	10	BBGE	
CCN(C)C(=O)CNS(=O)(=O)CCl	221801650	DEPRFMMFXUQNNS-UHFFFAOYSA-N	228.701	-0.420	50	10	BBGE	
CCN(CC(F)(F)F)[C@H](COC)C(=O)NN	232419560	IASAFWBEPXBJRR-ZCFIWIBFSA-N	243.229	-0.125	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@@](C)(O)CO	235435448	KWLDRKCSYOQPLB-CAHLUQPWSA-N	240.097	-0.371	50	10	BBGE	
C[C@H](O)C1CCN(CCC(=O)NN)CC1	235525556	CLZWJYJTPDFFHD-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1cnc2c(Cl)ncnc2c1	238655741	BVANBPQBZHOMHF-UHFFFAOYSA-N	209.401	-0.642	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCC[C@H]1O	252923300	JQEYGROASRHDOL-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
[C-]#[N+]CCc1nc2n(n1)CCCS2(=O)=O	257625409	JRIOBZRRMYVONA-UHFFFAOYSA-N	226.261	-0.083	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](CCO)C1	300289231	KMOLODUYYBSPAN-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CS(=O)(=O)Cc1noc(N=C=O)n1	306790566	WBVFPQGFORKKSV-UHFFFAOYSA-N	203.179	-0.419	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](O)CC1	382013648	NKYWXBRPWCRQDX-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)NN)[C@H]31	394367439	UIFBFXOUOSNARI-OAHBRNHXSA-N	211.265	-0.075	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)c(O)c1	396021909	LVTYGORGCJZNBR-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
N#CCc1ccc2nc[nH]c2c1B(O)O	396084111	JKJMDXXAITUUDQ-UHFFFAOYSA-N	200.994	-0.691	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)[C@@H]1COCCO1	493363057	YMQIMALJJRJQLY-RTMURIBGSA-N	244.247	-0.901	50	10	BBGE	
O=[S@](Cl)CC1CS(=O)(=O)C1	675071432	LOVQFXJAAPSBEF-VIFPVBQESA-N	202.684	-0.067	50	10	BBGE	
COc1ccncc1CN1CC(=O)OC(=O)C1	688946560	BSZZIRNWTGGJGO-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689158580	LGNBGAQLCITSFV-QWRGUYRKSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708050408	HPPPLMSPBWIGOD-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](C(C)C)C1	708954407	YLNDZCTWHUEQJX-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
CSSCCN=C1NCC(O)CN1	709318615	JTQSXAYKFYUMJQ-UHFFFAOYSA-N	221.351	-0.093	50	10	BBGE	
C[C@@H](CN1CC[C@H]2CC[C@H](O)[C@H]1C2)C(=O)NN	721718335	QWTVVDLTXFDJKR-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CCCn1cc(C=NNC(=O)CO)cn1	776780111	FNCFCFNDNZBEBG-UHFFFAOYSA-N	210.237	-0.265	50	10	BBGE	
C[C@H]1COC(=O)C1=NNC(=O)[C@H]1CCCO1	814241564	SLDBCYRWFYNVGV-NKWVEPMBSA-N	226.232	-0.170	50	10	BBGE	
COC[C@@H](C)CC(=O)NNC(=O)[C@H]1CCCO1	814342938	OHUSYTMTVJEDOB-DTWKUNHWSA-N	244.291	-0.015	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCCO)CC1	821983792	ZCCHRWXVGFIISV-UHFFFAOYSA-N	212.249	-0.364	50	10	BBGE	
CNC(=O)CC(=O)NN[C@H](C)C(F)(F)F	862317818	KESYDQYINLVHDW-SCSAIBSYSA-N	227.186	-0.306	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCCN(C)C1=O	900386538	ZUUURUYDSYIXJF-SSDOTTSWSA-N	242.279	-0.795	50	10	BBGE	
Cc1nc2c(C(=O)NN(C)C(N)=O)ccnc2[nH]1	1119889853	BBTNOEMNUZJXBE-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@@]1(C)CCCO1	1328076775	BHEDDKJXDAYPRW-LDYMZIIASA-N	244.291	-0.280	50	10	BBGE	
C[C@@H](CC(=O)NNc1ccncn1)NC(N)=O	1329916906	XSLAQYCGCYXVSE-LURJTMIESA-N	238.251	-0.633	50	10	BBGE	
CC1(O)CCC(=NNC(=O)C(N)=O)CC1	1348412802	YRSYYYQKKGTOSD-UHFFFAOYSA-N	213.237	-0.731	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnc2[nH]ncc2c1	1544264844	BSKSQYZSGAKNEP-UHFFFAOYSA-N	248.246	-0.126	50	10	BBGE	
CCC[C@@H](O)CC(=O)NNC(=O)C(C)(C)O	1616527702	WTQPXKQWWQMVNG-SSDOTTSWSA-N	232.280	-0.544	50	10	BBGE	
CN1CC[C@@H]1COCCCC(=O)NN	1886369894	FPAJGICGDDBJHI-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
NNC(=O)CCOC[C@H]1CSCCO1	1891537737	KRZASAHWKDRXEZ-ZETCQYMHSA-N	220.294	-0.485	50	10	BBGE	
NC1CN(CC(=O)NC[C@H]2C[C@H]2Cl)C1	1893126779	CUOIZZBYPPGGQN-HTRCEHHLSA-N	217.700	-0.627	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3C[C@@H]32)nc1	1895126356	SEBOZBORERZQCS-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
NNC(=O)COCCOC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1898196822	AHXSHKYCANVNHZ-FNCVBFRFSA-N	226.276	-0.336	50	10	BBGE	
CS[C@@H](C(=O)NCCC#CB(O)O)C1CC1	1899656375	AHEIEHLCLNIQCY-SECBINFHSA-N	241.121	-0.350	50	10	BBGE	
CCC1(NC(=O)c2cnsc2B(O)O)CC1	1900456071	ZOQGBPPNMXMENY-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN(C)C(C)=O	1901223439	CRCSXRZVOYBAIW-SECBINFHSA-N	230.312	-0.835	50	10	BBGE	
CSCCOc1ccc(C=O)c(B(O)O)c1	1901237908	QFXPUJRFMHSPER-UHFFFAOYSA-N	240.089	-0.079	50	10	BBGE	
CC[C@@H](CN)Oc1cc(B(O)O)c(F)cn1	1903024196	DZDMAWUUSSSZLZ-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1C[C@@H](C)C(=O)NN	1903307741	PXFDIGROMAAXMV-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)C1(B(O)O)CC1	1904707825	NUASXNPRCBUTHO-QMMMGPOBSA-N	228.101	-0.598	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1C=CCC1	1905222610	QLGWBFDJQMHSCE-QMMMGPOBSA-N	223.012	-0.002	50	10	BBGE	
CO[C@H](CN1CC[C@H](B(O)O)C1)[C@@H]1CCOC1	1905582457	AGHVUEWNDPSKJC-OUAUKWLOSA-N	243.112	-0.413	50	10	BBGE	
Cc1cc2c(=O)n(C[C@H](C)C(=O)NN)ccn2n1	1912216241	IPXSMTKFACDBLP-ZETCQYMHSA-N	249.274	-0.570	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)cn1)C1COC1	1915650212	LWKHORIULZXFFO-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
CN1C[C@H](NCc2cnn(C)n2)[C@H](Cl)C1	1928756012	QPJBTPGZXGTLAC-BDAKNGLRSA-N	229.715	-0.174	50	10	BBGE	
CC(=O)c1cnn(C[C@H]2C[C@H]2C(=O)NN)c1	1936081960	BHWIKSZKCPUHEH-VXNVDRBHSA-N	222.248	-0.288	50	10	BBGE	
C[C@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C[C@@H](C)O1	1936086340	UPTVJCNSEORBNH-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
Cc1oncc1CCN1CC(=O)OC(=O)C1	1936803987	MWQJDVVLCYCWEA-UHFFFAOYSA-N	224.216	-0.089	50	10	BBGE	
CN1CCCC[C@H]1Cn1cc(B(O)O)cn1	1937000649	NXWAMYBHBOTVTD-JTQLQIEISA-N	223.085	-0.953	50	10	BBGE	
CN(C(=O)Cn1cncn1)[C@@H]1COC[C@@H]1Cl	1937146728	RSJDAUAQURSPIF-JGVFFNPUSA-N	244.682	-0.257	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@]12CCOC2	1941078200	LCXQHGFAZVWTAR-HOSYDEDBSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H](F)[C@H](O)C2)o1	1944309220	SLPCIXDBOWQDFZ-JGVFFNPUSA-N	243.238	-0.602	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2[C@H](C1)[C@@H]2CO	1944549366	WLPWGWDHJIRSLH-AJBSGBCOSA-N	241.335	-0.439	50	10	BBGE	
COc1cc(OC)n(CC2(C(=O)NN)CC2)n1	1945913010	QCFWEBYDQYWIJP-UHFFFAOYSA-N	240.263	-0.330	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2OCCO[C@@H]2C1	1946397050	MPHCBJRMEBLORP-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
CCn1cncc1CN(C)C[C@H](C)C(=O)NN	1947538391	QROOQJYTUFUQEM-VIFPVBQESA-N	239.323	-0.039	50	10	BBGE	
O=C([C@@H]1CCOC1)N1CCC(B(O)O)CC1	1951320415	KSVQVHYGSIAFOA-MRVPVSSYSA-N	227.069	-0.512	50	10	BBGE	
OB(O)c1cnn([C@@H]2CC[C@H]3C[C@@H]3C2)c1	1957525330	QKFLMNNZZVUYSN-QXFUBDJGSA-N	206.054	-0.076	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(O)(C(=O)OC)C1	1958805146	PZMJUNYGIRCAIS-ZCFIWIBFSA-N	235.667	-0.250	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1967587671	PHDOUUICZRWPJM-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CN(C)C1(C)CN(CCCCC(=O)NN)C1	1976834086	URMRQADKIBKCJZ-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CN1CC[C@H]2[C@H](CCN2CCC(=O)NN)C1	1980963903	HCYQTOVBMBSMFB-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](Oc1ncncc1B(O)O)C(F)(F)F	1981422699	SEVNDGNWRISDSW-BYPYZUCNSA-N	235.958	-0.514	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1CC(N)=O	1986123500	XMLGQYNTSCZXDR-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
NC(=S)NNC(=O)c1ccn2cnnc2c1	1987711018	HZXMLOYEOHZNOP-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
C=C[C@@]1(O)CCCN(CCCC(=O)NN)C1	1990540426	RTJWPQGVENNAAF-LLVKDONJSA-N	227.308	-0.231	50	10	BBGE	
O=C(O)CN1CC(CNC(=O)[C@H]2C[C@H]2Cl)C1	1991695123	XMEVBDCZAMWMSG-JGVFFNPUSA-N	246.694	-0.254	50	10	BBGE	
CN(C)CCN(CCO)C(=O)/C=C/C(=O)Cl	1991716474	KMVDOSYFALTUHE-ONEGZZNKSA-N	248.710	-0.310	50	10	BBGE	
C=C(C)CNC(=O)c1ccccc1B(O)O	1992837539	ZOSNWQKUGBZIIA-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1c1ncon1	1997752662	POQJUUBHUBSODA-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866910	XPSAODPGMJBEAZ-DCAQKATOSA-N	240.351	-0.363	50	10	BBGE	
OB(O)c1ccn(CC2C[C@H]3[C@H](C2)C3(F)F)n1	2000413488	ZDPGCABGFJQKSK-YUMQZZPRSA-N	242.034	-0.146	50	10	BBGE	
CON(Cc1c(C(=O)NN)cnn1C)C(C)C	2003505995	MCKKDAHMBJBYKA-UHFFFAOYSA-N	241.295	-0.205	50	10	BBGE	
CC(C)N1CCN(C[C@@H](C)C(=O)NN)CC1=O	2004024336	TYZXKSVXGPQRJE-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2004602358	IHAWWJGNJMAOOF-YTWAJWBKSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)CCCO1	2004918737	PEMULFFDGGYEFJ-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2005808906	QNFBXIZKEPLXRT-APOZVJGGSA-N	230.076	-0.394	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC2(CC(O)C2)C1	2005809835	SSNMJTMZELAGET-SQLBVSGCSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc(C(F)(F)F)n1	2009572826	ABMCRBQCUJZHGJ-WHFBIAKZSA-N	249.196	-0.077	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(CCO)C1	2014778367	CMSNCJHDBYXAGH-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CC1(C)C[C@@H](Cn2cc(B(O)O)ccc2=O)O1	2015574635	UQWIYCYJHXREHG-VIFPVBQESA-N	237.064	-0.904	50	10	BBGE	
COCCN(CC1(C(=O)NN)CC1)C1COC1	2018181524	LBRLCUKCGZMUGW-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCN(C)C1	2019209922	MKJXSTMIGZQMRU-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1CN2CCC1CC2	2021072138	NSIXXOWLWIGQDE-MRVPVSSYSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H]2[C@H]1CO	2021740203	PUBSINIKYKTKGM-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1	2052473415	SEGZKCYOFDSNAI-LLVKDONJSA-N	247.107	-0.954	50	10	BBGE	
Cc1cc(N2CC[C@H]3C[C@H]2CO3)ncc1B(O)O	2052623733	AQMKJSPTEYFHME-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
Cc1nc(N2CCC3(COC3)C2)ccc1B(O)O	2052625054	WHVBIXAMZJSVSB-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
COc1nc(N2CC[C@@H]3CC[C@@H]32)ncc1B(O)O	2052628344	ZCRHJRNHIHJQMI-CBAPKCEASA-N	249.079	-0.846	50	10	BBGE	
CCOc1cc(B(O)O)cc([N+](=O)[O-])c1C	2060025412	QSAJULWWLMWJNP-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
COCc1nccn1-c1ncc(B(O)O)cc1C	2061996039	JOQPDTFXMNCXHB-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CCn2nccc2C1	2076077334	XQZXVJLBKWDIGI-SECBINFHSA-N	249.079	-0.870	50	10	BBGE	
C#CCN(C(=O)c1ccccc1B(O)O)C(C)C	2079009402	RJDNSIRELXELRD-UHFFFAOYSA-N	245.087	-0.150	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c(F)c1	2086989891	INFDWTHTNIQHGO-LALMQGGXSA-N	249.050	-0.066	50	10	BBGE	
CSSCCN=c1nnc(=N)[nH][nH]1	2209172308	BNWASPDRANKWHN-UHFFFAOYSA-N	218.311	-0.476	50	10	BBGE	
CCN(c1nccc(B(O)O)c1F)C1CC1	2212605410	DCPNDBXNHQEXPA-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
C#C[C@](C)(CC)Nc1ncccc1B(O)O	2212610859	QCGCRRNYDLQRMC-LLVKDONJSA-N	218.065	-0.025	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCC[C@@H]1O	2212610905	QVYMMADNOSTSED-IUCAKERBSA-N	222.053	-0.913	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H](F)C1CCC1	2215254089	DBQIWIGOHNWFLY-BQBZGAKWSA-N	247.031	-0.833	50	10	BBGE	
CCC[C@@H](OC[C@]1(C)COCCO1)C(=O)NN	2216076412	ZUEHQVWCDMIVIV-KOLCDFICSA-N	246.307	-0.033	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@]3(F)C2)nc1	2216599121	YQOVHTRAQOBOKL-XVKPBYJWSA-N	237.043	-0.905	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)c(C)cn1)[C@@H](C)O	2217185379	WEVZOJLIHXHPRL-SCZZXKLOSA-N	238.096	-0.359	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)[C@@H]1CO	2220060722	YZYRGDQBYABNSR-ZWNOBZJWSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@]23CCOC3)c1	2223636859	MXIPRUMJDOUKGD-CABZTGNLSA-N	248.091	-0.400	50	10	BBGE	
CC1(C)CC[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223640348	VVZRRYYSSGMUGK-VIFPVBQESA-N	249.123	-0.184	50	10	BBGE	
Cc1cc(CN(C)c2ncccc2B(O)O)no1	2223671389	LCDXOGKUAFAIDX-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
C=C(CN(C)Cc1nncs1)B(O)O	2241465832	YBWFJBUPHYYCFZ-UHFFFAOYSA-N	213.071	-0.462	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@H]1C1CC1	2243356939	OXKCIJIKFKCNSK-NXEZZACHSA-N	221.065	-0.351	50	10	BBGE	
CCC[C@H](CNC(=O)C1(B(O)O)CC1)OC	2243364828	CVKANPHSOCUHGJ-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
C[C@@H](O)C[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381706	ISUKHMAJCVBWJC-BGZDPUMWSA-N	229.085	-0.485	50	10	BBGE	
O=C(NCCc1cnsc1)C1(B(O)O)CC1	2243410222	XJKIKPBBXACASE-UHFFFAOYSA-N	240.093	-0.191	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N1CC=CC1	2243415511	WPKFTJRHZISYGI-UHFFFAOYSA-N	238.077	-0.857	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)C1(B(O)O)CC1	2244356477	DAINXAAMVFJWNF-PRJMDXOYSA-N	225.053	-0.713	50	10	BBGE	
C=CC1CN(C(=O)c2cocc2B(O)O)C1	2245443145	VAOSSGTYQIUQET-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
CC1(Cn2cc(B(O)O)cn2)CC(F)(F)C1	2246052586	AZBHOVRFNQTUPB-UHFFFAOYSA-N	230.023	-0.002	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@]2(C1)CC2(F)F	2247737205	DVWAIVAYGFNCGJ-CBAPKCEASA-N	243.018	-0.304	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2247739735	ANDQBKKHDFWKEB-HHKYUTTNSA-N	233.076	-0.590	50	10	BBGE	
CCC=C1CN(C(=O)c2ccc(B(O)O)o2)C1	2247741204	WGSXVOXVHXODIP-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(C#CB(O)O)NCC1(F)CC2(CCC2)C1	2247741912	HQBVXDQWEBSSJV-UHFFFAOYSA-N	239.055	-0.210	50	10	BBGE	
Cc1cccc(C(=O)N2CCCN2)c1B(O)O	2247752118	IVCFWVOISBYDBA-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2247758725	WHNJGOPMOKBPLJ-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1CN	2247786281	YOAAANHXWDGJIZ-AXTSPUMRSA-N	240.112	-0.707	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)[C@H]1C[C@@H](B(O)O)C1	2247787047	KHYTWXOGPHUKTR-KXUCPTDWSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797202	GZWFFGOFOSPZBS-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@H](CCO)NC(=O)C1CC(B(O)O)C1	2247801287	ZBNVLPYJYUBNBN-RTBKNWGFSA-N	243.112	-0.093	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247851573	GTDMNNYKNKYSGM-QEYWKRMJSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC1(CCO)CCCC1)[C@@H]1C[C@@H]1B(O)O	2247852221	QLURAVJCUDVHMI-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
O=C(N1CCC[C@@H]2CNC[C@@H]21)C1(B(O)O)CC1	2247874754	TVJPWFQGOQIGHS-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247886441	BPZIRWNEYXBZFV-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCCO1	2247900382	WJGNVHAFEJHVRC-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](O)[C@@H](CC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900793	ZSANOUNXQXXXMA-KYXWUPHJSA-N	243.112	-0.095	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2C[C@]2(O)C1	2247904866	RAQMYCJKGQCQFZ-REIXXSIJSA-N	239.080	-0.777	50	10	BBGE	
CCC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248576913	JVQKFKKHGBZJEC-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
CCO[C@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249346312	NERRKHJRLVLEKL-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2253344750	YNWIZQPLFLXNJB-XVMARJQXSA-N	248.038	-0.956	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CCC[C@@H]21	2255452559	KQQWLZRRKBCWSC-SCZZXKLOSA-N	249.075	-0.108	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1ccc(B(O)O)o1	2255463290	HBJKSOIXEGRCOX-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1ccc(B(O)O)o1	2255467686	QNVCJHDQQLPVHX-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
COc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1B(O)O	2255555141	WSYRTNBGNXWFHL-XCBNKYQSSA-N	249.075	-0.487	50	10	BBGE	
O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H]1B(O)O	2255567996	HYMDPSUKDLEKQO-MXWKQRLJSA-N	249.075	-0.301	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1ccc(B(O)O)o1	2255713731	GUFOCEAGSGSJDA-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2255716897	VJDVFCHYVMXICE-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC3CC2C3)c1	2255736094	GQMNVPJDIKQLIG-UHFFFAOYSA-N	245.087	-0.091	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)cc1O	2255953276	GPYRLGUJESLWMJ-JTQLQIEISA-N	247.059	-0.646	50	10	BBGE	
CC#CCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2256672126	BXSSGRUYPJIMDM-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1cocc1B(O)O	2258132830	DPJFBWFIVZNDDJ-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(Cc1ccc(O)cc1)NCCC#CB(O)O	2258972778	BOKMBMWNBBVVQV-UHFFFAOYSA-N	247.059	-0.544	50	10	BBGE	
CN1CC[C@@H](N(C)C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165440	BPBBIPMPEGDDJD-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CC[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369957	JYGOGPAPLMLLML-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C(=O)O	2298463661	RPOXKIKTYSVKAU-GBNDHIKLSA-N	241.052	-0.925	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299580431	GKSNYCSKPVSWKV-DJLDLDEBSA-N	241.096	-0.362	50	10	BBGE	
COC1CN(c2ccc(B(O)O)cc2C#N)C1	2301343208	IKIKTVBPKUARNB-UHFFFAOYSA-N	232.048	-0.927	50	10	BBGE	
Cn1nccc1C(=O)N1CC[C@](C)(B(O)O)C1	2303111169	GUZNUZGPOFLWMF-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
CC[C@@](C)(CN(C)CCOCCO)C(=O)NN	2303426641	PSRFHNQYBWPSPR-NSHDSACASA-N	247.339	-0.667	50	10	BBGE	
COCC[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303848084	TWXSFPNGWJJABQ-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C(C)(C)CO	2317150672	HYEWJSMTFRWWNZ-UHFFFAOYSA-N	248.091	-0.555	50	10	BBGE	
C[C@H]1CCC[C@H](NC(=O)C(=O)NN)[C@@H]1C	36948205	QBAVTQQDTHFJNS-RNJXMRFFSA-N	213.281	-0.083	50	10	BBGE	
CN(CCc1ccccn1)C(=O)C(=O)NN	36948258	ZCJRINUYTWESLP-UHFFFAOYSA-N	222.248	-0.928	50	10	BBGE	
NCCC(=O)NNC(=O)c1cccs1	49815355	IJUIBPDFYDCMSI-UHFFFAOYSA-N	213.262	-0.142	50	10	BBGE	
COC(=O)[C@@H]1CN(C(=O)CCl)CCC1=O	70638456	HHNBIXRFILAOML-ZCFIWIBFSA-N	233.651	-0.184	50	10	BBGE	
CN1CCN(C)[C@H](CNC(=O)CCCl)C1	82669066	KPTQJQMEZXEFAK-SECBINFHSA-N	233.743	-0.023	50	10	BBGE	
C[C@H](N)CCSC[C@H]1CC[C@H](C(=O)NN)O1	85317009	NFQBYLCBKGCUHN-DJLDLDEBSA-N	247.364	-0.006	50	10	BBGE	
C[C@@H]1CO[C@H](CO)CN1C(=O)CCl	88091716	SAUWXJQRGAFNSE-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
CC(=O)N1CCCN(CCCC(=O)NN)CC1	104115317	OVIQNVNJGGLYST-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
Cc1cccn(Cc2cc(C(=O)NN)no2)c1=O	110602312	STDIILRZZDQZBU-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
Cc1oc(C(=O)NN)cc1Cn1cccnc1=O	111236851	FAYJGBYXLRJWGS-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCOC1	134791052	HVWNUDCPGFTWIW-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
[C-]#[N+]C1=C[C@](O)([C@H](C)O)[C@@H](O)[C@H]1Cl	135826392	CPHWWEVFVFERCX-PSQAKQOGSA-N	203.625	-0.117	50	10	BBGE	
OC[C@@H]1O[C@H](Br)[C@H](F)[C@H]1O	145193555	RTWYWCZOGUBRHY-QTBDOELSSA-N	215.018	-0.203	50	10	BBGE	
CCc1cnccc1C(=O)NNC(=O)CO	182772826	MRPXZOJPRJECOV-UHFFFAOYSA-N	223.232	-0.603	50	10	BBGE	
CC(C)OC(=O)c1ccccc1B(O)O	198550367	UHSGPEFNAZQASO-UHFFFAOYSA-N	208.022	-0.068	50	10	BBGE	
COc1cc([N+](=O)[O-])c(B(O)O)cc1F	203636749	ONRGRIBZIIANAH-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CC(=O)CNCc1ccccc1B(O)O	207024641	UAZVHRBJJZXKGF-UHFFFAOYSA-N	207.038	-0.955	50	10	BBGE	
C[C@H](O)CCN(C)C[C@@H](C)C(=O)NN	220008421	JQFJOAZTVBODJU-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](CO)NS(=O)(=O)CCCl	232299001	GQKAEEDPAQQNMC-YFKPBYRVSA-N	201.675	-0.475	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](C)(C(N)=O)C1	233356561	RHIWKDPPBYXELN-GZMMTYOYSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H](Cl)c1nnc(N2CC(=O)NC(=O)C2)o1	235145545	ODMXOXBPQFEMFW-SCSAIBSYSA-N	244.638	-0.168	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)[C@@H](O)C1	235460545	BDCHKDGEUIWMTJ-VQVTYTSYSA-N	207.657	-0.575	50	10	BBGE	
O=S(=O)(CCCCl)NC1COC1	236033976	YYQPGJNTAWHIJI-UHFFFAOYSA-N	213.686	-0.067	50	10	BBGE	
Cn1ccc([C@H]2C(=O)NC(=O)[C@@H]2Cl)n1	236109384	HYZHYDXPJLBOCG-PHDIDXHHSA-N	213.624	-0.233	50	10	BBGE	
CCOC(=O)[C@H](NNC(N)=O)C(C)C	238257397	IPHNAYWDTSZPEY-ZCFIWIBFSA-N	203.242	-0.253	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(O)C2	250701069	UCZNMMTYEPLWJI-QXEWZRGKSA-N	241.335	-0.011	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252846510	CQZHPCBHGLEGFP-QHZLYTNSSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CC[C@H]1O	253201205	UJIBOKQTHBFHJY-ZYUZMQFOSA-N	229.324	-0.296	50	10	BBGE	
N#C[C@@H](O)c1ccc(N2CCNC(=O)C2=O)cc1	260302854	DHBHKZUQVHOXNK-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
O[C@H]1[C@@H]2OC[C@@H]2O[C@H]1CBr	306287604	ZTXUBLPOYITECL-UNTFVMJOSA-N	209.039	-0.092	50	10	BBGE	
OB(O)c1cc(O)cc2cc(O)sc12	306864452	KJEHMGIQQHEYOG-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COC(=O)NCCNS(=O)(=O)CCl	308131719	BFNVALHSVFZCFM-UHFFFAOYSA-N	230.673	-0.542	50	10	BBGE	
CN(C)C(=C/C=C(\C#N)C(N)=O)N(C)C	308692080	DDNMBBUWXXXIGZ-VMPITWQZSA-N	208.265	-0.114	50	10	BBGE	
CC1(C)[C@H](O)CCN1CCCCC(=O)NN	381551873	MVIIECUTFBTQFR-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1O	383709534	YDQWMCCZYDDOTA-UHFFFAOYSA-N	224.021	-0.822	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1[C@H](C)CCC(=O)NN	384951612	VKKQJBZJIZGTND-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1C[C@H](N2CC(=O)OC(=O)C2)[C@@H](C)O1	385017467	XFKABHUJCLSKEI-PRJMDXOYSA-N	213.233	-0.062	50	10	BBGE	
C[C@H](O)[C@H](C)NS(=O)(=O)CCCl	387200533	XGEQSQVLIOQZRR-WDSKDSINSA-N	215.702	-0.086	50	10	BBGE	
CC(C)(CCN1CC[C@@H](CN)C1)C(=O)NN	395588674	HFLWXPGPYAMLOO-VIFPVBQESA-N	228.340	-0.327	50	10	BBGE	
CN(CC[S@@](C)=O)[C@@H](C(=O)NN)C(C)(C)C	399974992	KNLLPXQNTKSXKH-ZKANADHPSA-N	249.380	-0.299	50	10	BBGE	
NNC(=O)Cn1nnc2cc(CC(=O)O)ccc21	585966601	WKWFTJOPQQWOSA-UHFFFAOYSA-N	249.230	-0.952	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@H]1C(=O)OC[C@@H]1O	675078890	AZZJLAUNLGREAI-NTSWFWBYSA-N	235.667	-0.346	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC(C)(C)[C@H]1C	687867989	PSRWNWGHFCBRME-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
CCN(CC1CN(C)C1)[C@@H](C(=O)NN)C(C)C	692729574	ZSCDKRYGQHUDKD-LLVKDONJSA-N	242.367	-0.116	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCO[C@@H](CO)C1	695059854	JMQAPGGPXVUQLV-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
Cn1nnnc1CN1CCO[C@H](CCl)C1	697853791	WFUZXOVVQNUZLT-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)C[C@@H]1CO	700400509	YLSGYPYLABXFIL-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
O=C(CN1[C@H]2CC[C@H]1C(=O)OC2=O)NC1CC1	703436966	XTJBOFQTBCMVDA-YUMQZZPRSA-N	238.243	-0.819	50	10	BBGE	
CC(C)(C)OC1CN(CCC(=O)NN)C1	707278317	KWCVFDHXHBCLSX-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@H](SC[C@@H](O)CO)C(=O)NN	710065594	LWYURVOQEPGPQK-YUMQZZPRSA-N	236.337	-0.523	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN2CCSC[C@@H]12	720455618	FZTHVJOKKXWEJU-SFYZADRCSA-N	230.337	-0.261	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)NCC1CC1	746167449	QZKLILXWKHGFRJ-UHFFFAOYSA-N	237.263	-0.377	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862892148	VABCHRUXCQYNHA-BQBZGAKWSA-N	229.236	-0.667	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NNC(=O)C(C)(C)O	867672000	AAYCGACHBAUCOC-CSMHCCOUSA-N	244.291	-0.282	50	10	BBGE	
Cc1nnc(NNC(=O)COC2CC2)n1C	880741563	SJSZURQCNKJGFI-UHFFFAOYSA-N	225.252	-0.254	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncon1	1134614848	PWRXMOBOAGFPOT-WDSKDSINSA-N	240.219	-0.744	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)NCC	1136416489	SMLYSFOJHBIBCY-SECBINFHSA-N	215.253	-0.336	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cc[n+]([O-])cc1	1160930332	LNQHBAUAOHXYNW-UHFFFAOYSA-N	240.288	-0.599	50	10	BBGE	
CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)C(C)C	1290193510	SFJYRVVROGHIPJ-MRVPVSSYSA-N	243.307	-0.063	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)Cc1ccncc1	1320640915	CTGKKSVLQVQINT-ZETCQYMHSA-N	223.232	-0.848	50	10	BBGE	
Cn1cc(C(=O)C(=O)NNc2ncccn2)cn1	1441050479	RAFCRPCGBSLGRC-UHFFFAOYSA-N	246.230	-0.464	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(C#N)n1C	1464540486	KTDWSLQMGFKRFU-UHFFFAOYSA-N	235.247	-0.187	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC12CC2	1464994236	NMDUSKDOUIXUFF-MRVPVSSYSA-N	234.259	-0.100	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)[C@H]1CCCCO1	1468452177	WSSQPKOWKPDWMJ-MRVPVSSYSA-N	242.275	-0.382	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNc1ccncn1	1569313998	UWFNIIPHBUEVFH-ZETCQYMHSA-N	236.231	-0.127	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)NC(C)C	1583869934	IJOZPFPSXYCRJH-QMMMGPOBSA-N	227.264	-0.237	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)C1COC1	1880638440	PSZJLDVXWRQPNI-RXMQYKEDSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)NC1CC(Cl)C1	1881807200	HAURLOWPMTUKBD-WMXYBCMPSA-N	206.673	-0.420	50	10	BBGE	
O=C(Cn1cncn1)NOCCCl	1883018949	QSWIAKCJIKNEFY-UHFFFAOYSA-N	204.617	-0.435	50	10	BBGE	
C#Cc1cc(B(O)O)cc(C(=O)O)c1C	1887524910	XEBYKEJIJXLNLW-UHFFFAOYSA-N	203.990	-0.646	50	10	BBGE	
CC(C)[C@H](S)C(=O)NN(C)S(C)(=O)=O	1888553895	DPQDTCCGJXJYNS-LURJTMIESA-N	240.350	-0.137	50	10	BBGE	
COCCCCN1CC[C@H](B(O)O)C1	1891490451	CVXPSKAHVKMRKS-VIFPVBQESA-N	201.075	-0.038	50	10	BBGE	
OCC(CO)(CO)CNC[C@H]1C[C@H]1Cl	1893118091	FKWUMYFFBNXIJB-HTQZYQBOSA-N	223.700	-0.833	50	10	BBGE	
O=C(NCC1(CO)COC1)[C@H]1C[C@H]1Cl	1893461872	UDIZQHCIUYFVAR-NKWVEPMBSA-N	219.668	-0.261	50	10	BBGE	
CN1CC[C@@H]2CCN(CCC(=O)NN)C[C@@H]21	1894257270	SPQDDQPBQIRFDO-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
CNC(=O)N1CCc2scc(B(O)O)c2C1	1900040553	RJRDZKXRLDFJDO-UHFFFAOYSA-N	240.093	-0.875	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cnsc1B(O)O	1900450685	JRZLHPZVTYGICJ-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
C[C@]1(O)CN(S(=O)(=O)CCl)CC[C@@H]1O	1901104588	HMIMIKJJTYLRJU-BQBZGAKWSA-N	243.712	-0.670	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](F)C1=O	1901657930	LQPGEHIUGAXMMC-AHXFUIDQSA-N	229.016	-0.664	50	10	BBGE	
CCCN(CCC)NC(=O)C(=O)NCC#N	1902068009	ULHPZYVXBHMDPW-UHFFFAOYSA-N	226.280	-0.221	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	1904687509	FUIMYMLHUFUZQZ-HRDYMLBCSA-N	228.101	-0.742	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1906340206	LWIBNTCEBFFMAB-HOTUBEGUSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@H]2C2CC2)CC1	1908853573	JKSRZUDMWFSGJE-NXEZZACHSA-N	239.319	-0.398	50	10	BBGE	
Cc1nocc1C(=O)Nc1ncccc1B(O)O	1913615918	REUQQGVTGFMFTL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1COC1	1915674671	SLJPSOOXNCCDTD-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1CC(O)C2	1922758506	DKSGHSLWCCUXSX-VGMNWLOBSA-N	227.308	-0.257	50	10	BBGE	
NNC(=O)COCCSc1cccnn1	1928179301	OLUBVXPNQABZJG-UHFFFAOYSA-N	228.277	-0.425	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1CC1(F)F	1928496099	VXGFTPJUFSUNPQ-IMJSIDKUSA-N	207.180	-0.864	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OCCO[C@H]2C1	1930248543	MHMCUTPQJWSFSJ-BQBZGAKWSA-N	205.641	-0.149	50	10	BBGE	
NNC(=O)C(=O)NC1CC(C(F)(F)F)C1	1932747996	PXWISEHDFRIOEW-UHFFFAOYSA-N	225.170	-0.567	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1COC[C@@H]1O	1933389153	LHUWOFVUDLEVMB-RQJHMYQMSA-N	243.712	-0.848	50	10	BBGE	
COCCOCCOC[C@@H]1C[C@@H]1C(=O)NN	1936093336	DADAGHMIYPYDAK-IUCAKERBSA-N	232.280	-0.708	50	10	BBGE	
CN(CC(C)(C)CO)CC1(C(=O)NN)CC1	1938248994	NXMLZSSIXBJLPM-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
CN(Cc1ncccn1)C[C@@H]1C[C@H]1C(=O)NN	1941084935	ARKJFBIRDMWBNA-DTWKUNHWSA-N	235.291	-0.466	50	10	BBGE	
COC[C@H](CN(C)C[C@H]1C[C@H]1C(=O)NN)OC	1941088432	QLZKHLWZEUXDHF-KXUCPTDWSA-N	245.323	-0.794	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H]1C(=O)N(C)C	1942613281	NLQRWCYNWHWZHT-HLTSFMKQSA-N	242.323	-0.837	50	10	BBGE	
CNC(=O)OC1CN([C@@H](C)CCC(=O)NN)C1	1943063350	SAJKVZZHOMUQRZ-ZETCQYMHSA-N	244.295	-0.815	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1CC1(C(=O)NN)CC1	1945884196	MQAHPCRMEPJVSN-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1946257927	UWCFLKDHVBZRII-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)CC12CCC2	1949821703	YAKKWZBJZHBBJL-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
N#C[C@H](O)[C@H](N)[C@@H](CO)c1ccccc1	1952821834	SRXMDXIFKIUGIH-GARJFASQSA-N	206.245	-0.026	50	10	BBGE	
Cn1nc([C@H](N)[C@H](O)C#N)c2ccccc2c1=O	1953041783	QEJRSNASSLFREU-NXEZZACHSA-N	244.254	-0.182	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](N)C[C@H](O)C1	1954208835	ULAMVTCQKADSOD-FXQIFTODSA-N	203.673	-0.489	50	10	BBGE	
CNC(=O)CN1CCN(CCCl)CC1	1956257020	YBPXCRDIAQJLEJ-UHFFFAOYSA-N	219.716	-0.411	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(F)CC1C2	1956497401	IHFSGPUDJRIPLM-CRMOQAEOSA-N	201.245	-0.059	50	10	BBGE	
CN(Cc1cnn(C)n1)C[C@@H](O)CCl	1956952907	MZRBFFXTCQOXGZ-QMMMGPOBSA-N	218.688	-0.153	50	10	BBGE	
CCN1CCN(CCC(=O)NN)[C@H](C)C1	1959006258	QPAJFICFDFOERM-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C)(C#N)CC1	1961473137	YOEYQGAVKRURFX-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
O=c1c(B(O)O)cccn1CC(F)(F)F	1962718989	KLSVTGJWSWPXIY-UHFFFAOYSA-N	220.943	-0.910	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CC1(C(=O)NN)CC1	1979615809	KNDCPJBZBDAYAK-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1C[C@@H]1OCc1nn(C)cc1C(=O)NN	1980591769	BPHALLSBBBBRQA-RCOVLWMOSA-N	224.264	-0.051	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)CC12CC2	1980719455	WVHDMNIDXPGWMZ-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@H]1C	1981423707	ICROLQLPHGWKMX-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
C[C@H](CCCl)C(=O)N(CC(N)=O)CC(N)=O	1985796093	LNFMMKUQYYOJRB-ZCFIWIBFSA-N	249.698	-0.949	50	10	BBGE	
CNC(=O)N(C)[C@@H](C)c1cscc1B(O)O	1987162003	PVCYKFJSUBWDJA-LURJTMIESA-N	242.109	-0.240	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@H](CC)C(=O)NN)C1	1990540955	WSOZLAQSJWUMPQ-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1991331497	PHQHFSXZEBGUKK-HOTMZDKISA-N	221.065	-0.427	50	10	BBGE	
O=C(O)[C@@H]1CNCCN1C(=O)C1CC(Cl)C1	1991696930	QLMIQBPOZPRUJH-RRQHEKLDSA-N	246.694	-0.111	50	10	BBGE	
CC[C@@]12CC[C@@](NC(=O)C(=O)NN)(CO1)C2	1993691975	NHGNOHOKWDHZLP-UWVGGRQHSA-N	227.264	-0.806	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1(F)CC1	1994971853	VQZFOYRMZIYBNF-UHFFFAOYSA-N	223.012	-0.193	50	10	BBGE	
NNC(=O)CCCCN1CCC(F)(CO)CC1	1995938513	XQGUOCQTNKFQSZ-UHFFFAOYSA-N	247.314	-0.057	50	10	BBGE	
OB(O)c1cnc(N2[C@H]3CCC[C@H]2CC3)nc1	2004919906	FDCJAHZCUQVZCI-UWVGGRQHSA-N	233.080	-0.322	50	10	BBGE	
OB(O)c1csc(-n2cnc3c2CCCC3)n1	2004990202	FQECDTXPYIBOHO-UHFFFAOYSA-N	249.104	-0.113	50	10	BBGE	
CN(C1CC1)C1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2005176493	FGRUCQKGUAKKGG-KCJUWKMLSA-N	238.335	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@@H]1C1CC1	2014001541	NFGYSFBBWFIGRL-UUTMEEIUSA-N	241.335	-0.154	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)CCOCC(=O)NN	2015793020	XXVVSAJZVGPJBQ-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
O=C(Cn1ccnc1)N[C@@H]1CCC=C1B(O)O	2020060597	BWSPFPBBAZDHKW-SECBINFHSA-N	235.052	-0.900	50	10	BBGE	
C[C@@H]1O[C@@]2(CN(C)C(=O)C(=O)NN)CC[C@H]1C2	2021509126	RQJMPXKBGLWCJQ-LAEOZQHASA-N	241.291	-0.608	50	10	BBGE	
COC[C@]12C[C@H]1CN(c1ccncc1B(O)O)C2	2052493609	DNIDLGFRGGIFAW-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3C[C@]3(C)C2)n1	2052624108	PKJONVKZSGXNSD-JOYOIKCWSA-N	247.107	-0.381	50	10	BBGE	
CCOC1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211827397	GRHFIYJQTAYOEK-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CC1(CNc2ncc(B(O)O)cn2)CCC1	2212602615	HFSOATUUZUSFNX-UHFFFAOYSA-N	221.069	-0.242	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CS1	2212602942	AWCLYIXCUSVUPW-POYBYMJQSA-N	239.109	-0.538	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC12CC2	2212612206	IEUUEGQKRXSXFU-QMMMGPOBSA-N	218.065	-0.027	50	10	BBGE	
CC1(C)CC[C@H]1Nc1ncc(B(O)O)cn1	2212612688	NHNNZCVQJZTYFI-MRVPVSSYSA-N	221.069	-0.243	50	10	BBGE	
C[C@@H](O)CCN(C)Cc1cccc(B(O)O)c1	2214597558	XAPCHJKGWYEZHN-SNVBAGLBSA-N	237.108	-0.431	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)CC[C@H]1O	2216527781	HJMGXYKGCFZTFH-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CCOCCOCC1(C(=O)NN)CCOCC1	2216854720	LSCVNURQDFTPCS-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
C[C@@H](CO)N(C)CC1(C(=O)NN)CCOCC1	2216870768	LFVSSZKWBUAIDA-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Oc1ncccc1B(O)O	2217167118	QRTMGYPYOUFSFO-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
C[C@](N)(COc1ncccc1B(O)O)C1CC1	2217168617	ZRUIYUCXEOOUEL-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCCNC2)nc1	2217173050	OKGVLYCVJRVOIP-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
Cc1ncoc1CNc1ncc(B(O)O)cn1	2217173927	VDVUDXSUAYDBOT-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCOC2CC2)c1	2217179272	ISGAQCIXIQLPKW-UHFFFAOYSA-N	236.080	-0.836	50	10	BBGE	
CC[C@@H](CO)N(C)c1cc(B(O)O)c(C)cn1	2217179919	OVWPORXXJMYJMJ-VIFPVBQESA-N	238.096	-0.723	50	10	BBGE	
C[C@]1(COc2ncccc2B(O)O)C[C@H](N)C1	2217184710	RCFFVOCQAGTRKU-JLIMDTESSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC=CC[C@@H]32)nc1	2217199096	KAFNIKUYXBADSU-SCZZXKLOSA-N	231.064	-0.689	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNc1cc(B(O)O)ccn1	2217201130	XCCLWQMOBMYPSF-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCn1cc(B(O)O)cnc1=O	2217411204	QHGXQCLOOYBDCV-BDAKNGLRSA-N	236.080	-0.641	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCCNCC1	2223632151	GHFXWHUMAFXCOU-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCNC2)cc1B(O)O	2223640752	MZKMSSBOFOINPT-JTQLQIEISA-N	249.123	-0.519	50	10	BBGE	
C#CC#CC(C)(C)Nc1nccc(B(O)O)c1F	2223650247	KJFVWTIKEFGTQQ-UHFFFAOYSA-N	246.050	-0.272	50	10	BBGE	
OB(O)c1cccnc1OC[C@]12CC[C@@H]1CNC2	2223651580	XVOOFIAGTIUTRH-BXKDBHETSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](C3(O)CC3)C2)c1	2223670947	FSFQJUYMBVOZTO-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
CC1(C)CCO[C@H](CNC(=O)C(=O)NN)C1	2242960456	ZKADPFKFDUJUJM-ZETCQYMHSA-N	229.280	-0.702	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363665	KGZFNQYMRGAHJY-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243365431	MNFCEMZXABOSFG-JGVFFNPUSA-N	226.085	-0.621	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)CCN1	2243366034	WLYYYCXRANWIPJ-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
C=COCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382792	RZSCUHNPCQSEIT-DTORHVGOSA-N	227.069	-0.094	50	10	BBGE	
O=C(C#CB(O)O)N1CCC12CC(CF)C2	2243399856	RJYUELZSWBPPFA-UHFFFAOYSA-N	225.028	-0.648	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)s1	2243406588	BEAVLWYSJWLSMP-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)N(C)C	2243411774	ZYMRXLZTEFSWEH-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
O=C(NCC1(CO)CCC1)[C@H]1C[C@H]1B(O)O	2243427346	UCAZVYYLFMOXHD-JGVFFNPUSA-N	227.069	-0.872	50	10	BBGE	
C[C@@]1(CO)C=CCCN1CC1(C(=O)NN)CC1	2246349625	JNBKXJYBDNPTLO-NSHDSACASA-N	239.319	-0.231	50	10	BBGE	
CN(C[C@@H]1CC(C)(C)CCO1)C(=O)C(=O)NN	2246994226	NSLHTDOWIATSMW-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
Cc1cc(C(=O)NC2CC=CC2)oc1B(O)O	2247789157	QWFRNUPUWFDRRK-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790645	IMYGUGWHBOXQME-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247791481	NLFBFDYGJBNTFI-GUBZILKMSA-N	239.080	-0.606	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)NC(=O)C1CC(B(O)O)C1	2247799324	BVXLHEYQDXAZPX-WOOKNIGNSA-N	243.112	-0.095	50	10	BBGE	
O=C(NCCOC1CCCC1)[C@@H]1C[C@@H]1B(O)O	2247800688	RNEFEFSEVXXWRX-ZJUUUORDSA-N	241.096	-0.075	50	10	BBGE	
COC1(OC)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808316	KPQQODKRWARKIL-YUMQZZPRSA-N	243.068	-0.929	50	10	BBGE	
CN(CC1CCNCC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247810465	XOSMHMPBINMUGE-ZJUUUORDSA-N	240.112	-0.693	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N(C)OC	2247853595	OQMIXGUWIKGGJM-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
CCN(C(=O)c1coc(B(O)O)c1)C1CCC1	2247870364	IUHDHNOQSDKIQB-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CCC[C@H](CCO)CNC(=O)C1(B(O)O)CC1	2247874454	MOYPMPGSBSFNEM-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
C#CC1(CNC(=O)c2cc(B(O)O)cs2)CC1	2247885334	JUVNCIJBVOVLDQ-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1CN	2247887920	TYSNYCQZUXZYLD-MAUMQABQSA-N	240.112	-0.661	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1[C@H]2CC[C@H]1CNC2	2247895156	PHNMRNSQBIUVBV-XKNYDFJKSA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247896395	YZTWGINLMURMKF-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247897122	OFRBKBIIQPJZCZ-IGORNWKESA-N	239.080	-0.467	50	10	BBGE	
COC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900206	UXZXVNUXEPGKJB-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
C=CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248578949	PADWWWQFXHDDRE-GJMOJQLCSA-N	241.052	-0.615	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H](C)CC(=O)O	2248589594	RULFDNGDJVGHSU-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1cc(B(O)O)co1	2249410494	YUPKXTYIHQDUAT-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1ccoc1B(O)O	2255464096	RHVQLCNURNZWTG-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255475342	XOEZFNRTJZHARO-XKSSXDPKSA-N	248.091	-0.387	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1occc1B(O)O	2255488325	BSXUFJXZEYKQMI-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(B(O)O)o1	2255676486	RALOKGFEHVLFOU-DTWKUNHWSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1ccncc1B(O)O	2255731334	DKDBHBZQONAZSG-VIFPVBQESA-N	246.075	-0.543	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255781332	LZASGPNTTGHWFF-GZMMTYOYSA-N	249.079	-0.925	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255956889	IMSUTNLVQRQURZ-MRVPVSSYSA-N	249.075	-0.234	50	10	BBGE	
N#CCCN(C(=O)c1cocc1B(O)O)C1CC1	2258132687	ITFUGSYFNZQPIH-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)nc1C	2258955821	ACFIBRYTOMAABK-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
O=C(COc1ccccc1)NCCC#CB(O)O	2258963446	TWOQTFLUGQIQRK-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
CN(CC[C@@H]1CCO1)Cc1cccc(B(O)O)c1	2263987741	ALHOADHDEYYLFH-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CC1(C)OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369185	LYLLQIXGJOWSBH-YIZRAAEISA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H](F)[C@H]1CCOC1)[C@H]1C[C@H]1B(O)O	2298369507	WSPBGUMALKYYHK-RBXMUDONSA-N	245.059	-0.660	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1CCN	2298369685	BIYCHONMOBOENV-DOLQZWNJSA-N	240.112	-0.707	50	10	BBGE	
CN(C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376487	YNFDRQRRSWAXGW-BBBLOLIVSA-N	240.112	-0.741	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2298376531	AMJMUBAPYZHTRA-CHHOWFRJSA-N	239.080	-0.921	50	10	BBGE	
O=C(N1C[C@H]2CC[C@H]1C[C@@H]2O)C1(B(O)O)CC1	2300146415	HBLAXGDSIWPIGT-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	2304308858	DVPCGFZPANSXRB-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)n1	2309538990	GRHYVMBLXBSNJC-WYFGTUCQSA-N	244.103	-0.086	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1c1ccc(B(O)O)cn1	2314224531	JEGDJKZRYKFZFE-MNOVXSKESA-N	248.091	-0.723	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317310422	ACDXTMACIYRXHO-GZMMTYOYSA-N	249.075	-0.862	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1B(O)O	2317452914	MBTBMGAUEWPROS-VXNVDRBHSA-N	249.075	-0.031	50	10	BBGE	
Nc1ccccc1C(=O)NNC(=O)/C=C/C(=O)O	33681008	PIYOFSUGZNZTCY-AATRIKPKSA-N	249.226	-0.329	50	10	BBGE	
NNC(=O)c1occc1CN1CCOCC1	82466044	MYAUWGVQZDBHGT-UHFFFAOYSA-N	225.248	-0.285	50	10	BBGE	
CN(CC(N)=O)Cc1ccc(C(=O)NN)s1	82467325	HGINNGGWMPEINS-UHFFFAOYSA-N	242.304	-0.731	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCN(C)C1	82468760	FQEKSHJBVYZFDR-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
CN(CCC(F)(F)F)C(=O)C(=O)NN	83890490	YMGYXVKPIPJBCC-UHFFFAOYSA-N	213.159	-0.613	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(CCC(=O)NN)C1	127847768	GZHNAUSWCNSKPA-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1ccon1	128671691	QTAUCYPUSGLVAS-SSDOTTSWSA-N	225.204	-0.385	50	10	BBGE	
Cn1ccn(C[C@@H](O)CBr)c1=O	156263499	TUOLBRGXZGLOAL-LURJTMIESA-N	235.081	-0.057	50	10	BBGE	
NC(N)=Nc1nc(C(=O)CBr)no1	196232190	ZGUXYJIOAWPVMM-UHFFFAOYSA-N	248.040	-0.448	50	10	BBGE	
CC(C)[C@H](N)C(=O)N[C@H](CCl)C(=O)O	196543371	QELMAJBJHZGQCH-RITPCOANSA-N	222.672	-0.222	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)cc1	200973152	HVYIIKZFJXZMQL-UHFFFAOYSA-N	209.010	-0.952	50	10	BBGE	
CO[C@H](C)COc1cc(F)ccc1B(O)O	228583169	OPWRMPDKFSGKET-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
COc1cc(B(O)O)c(Cl)cc1C#N	238445553	HINPUPSSQKZUFW-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	250686069	FTCWOTQWWKPYAV-QWRGUYRKSA-N	242.367	-0.116	50	10	BBGE	
CCS(=O)(=O)N1CC[C@H]2C(=O)OC(=O)[C@H]2C1	252739815	HWZJZEFTZBZFQE-RQJHMYQMSA-N	247.272	-0.642	50	10	BBGE	
NNC(=O)CCc1ccc2[nH]c(=O)[nH]c2c1	259052750	VOZAPALPFRDDAZ-UHFFFAOYSA-N	220.232	-0.221	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H]1COC(=O)N1	294415317	AWWOHCKASJUMRH-ZETCQYMHSA-N	243.263	-0.322	50	10	BBGE	
NNC(=O)CCSCC(=O)N1CCCC1	300873002	QZTVMRQQCPVELE-UHFFFAOYSA-N	231.321	-0.278	50	10	BBGE	
CS(=O)(=O)C1CCN(C(=O)NN)CC1	306470717	QWPMLDQZNMPUIJ-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
CC(=O)NC1CN(C(=O)[C@@H](C)Cl)C1	306644014	YKZXOPBUMUOASD-RXMQYKEDSA-N	204.657	-0.039	50	10	BBGE	
COCC(COC)O[C@H](C(=O)NN)C(C)C	309410783	VOIOHPATCQMZIL-VIFPVBQESA-N	234.296	-0.321	50	10	BBGE	
COc1ncc([C@@H]2C(=O)NC(=O)[C@H]2Cl)cn1	384181675	QIHIFWTZHJAUQA-WDSKDSINSA-N	241.634	-0.167	50	10	BBGE	
O=C(CCl)Cc1c(F)cccc1B(O)O	396068781	KMGWTJCSGIUKQX-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
COC(=O)c1cccc2nc(B(O)O)oc12	396111781	JXELDCIDHNMWPW-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
Nc1cc2cc(C(=O)O)c(B(O)O)cc2s1	396243281	OBMASVDXMQRFBG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1cc(O)c2sc(B(O)O)cc2c1	396387652	SWLNIRKQPJUOIW-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C1CC[C@H](NC(=O)NC(=O)CCl)CCN1	396703735	JNRJFTSLYGGESC-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
C[C@H]1CC[C@@H](CN2CC(=O)OC(=O)C2)O1	398162434	IQYVFZHGJFNVEJ-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	404988209	XVBWLBKAYYCOGE-OIBJUYFYSA-N	219.049	-0.039	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	405004676	OHGIFKCFQHNUPO-CABZTGNLSA-N	247.103	-0.019	50	10	BBGE	
CCNC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405148102	OUUAIGIKUPAOPC-MRVPVSSYSA-N	236.080	-0.254	50	10	BBGE	
CC(C)NC(=O)Nc1ccccc1B(O)O	405151183	ROPNKKIJPRVLDD-UHFFFAOYSA-N	222.053	-0.104	50	10	BBGE	
O=C(O)[C@@H]1CNC(=O)[C@H](Br)C1	504224588	NZHYGHXKRGGLAR-IUYQGCFVSA-N	222.038	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258185	BUFGUAYQXOLKRQ-CIUDSAMLSA-N	212.297	-0.857	50	10	BBGE	
COC[C@@](C)(CO)N(C)CCCC(=O)NN	689808386	CAFKRTUGCCXETL-SNVBAGLBSA-N	233.312	-0.914	50	10	BBGE	
Cc1cc(Cn2nc(C)c(B(O)O)c2C)n(C)n1	694272802	XTQMSCYZUORZCC-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
C/C(=C/Cl)Cn1cc(B(O)O)cn1	703718886	ZAQIIEZVLQDQGI-KXFIGUGUSA-N	200.434	-0.295	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCn1cccn1	707434785	KXSLFFIHOQMUJK-VIFPVBQESA-N	225.296	-0.417	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nnc(C)n1C	708398180	IZTCXVPLBSNAAW-ZETCQYMHSA-N	246.698	-0.006	50	10	BBGE	
CC[C@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710208649	GHIMUZZOGUQHIP-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719155215	MNJLAUAZARIGIL-DCAQKATOSA-N	241.335	-0.010	50	10	BBGE	
CCN(CC)Cc1nsc(C(=O)NN)n1	724349004	HTDAGLWLRQFSJK-UHFFFAOYSA-N	229.309	-0.017	50	10	BBGE	
C[C@H]1CN(C)CC1=NNC(=O)[C@@H]1COCCO1	752165448	IFHPQEVURUOIFO-WPRPVWTQSA-N	241.291	-0.545	50	10	BBGE	
O=C(CN1CC(=O)NC1=O)NNc1ccccn1	777473536	NRXDNCVXKJHRGU-UHFFFAOYSA-N	249.230	-0.924	50	10	BBGE	
C/C=C(/C)C(=O)NNC(=O)c1cn(C)nn1	855188362	JQCAJULMJRMBLU-XQRVVYSFSA-N	223.236	-0.458	50	10	BBGE	
C#CCCNC(=O)NNC(=O)[C@H]1CC[C@@H](C)O1	858218349	NZZNXCWSVLDMAY-RKDXNWHRSA-N	239.275	-0.092	50	10	BBGE	
CNc1cnc(C(=O)NN(C)C(=O)OC)cn1	861656544	PIKMOXMSIGSXSV-UHFFFAOYSA-N	239.235	-0.139	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)c1cn[nH]c1	862469216	CEAMTOKMOFUMOZ-MRVPVSSYSA-N	238.247	-0.668	50	10	BBGE	
COCCOCC(=O)NNC(=O)C(C)(C)OC	869909585	CFYJNRDSPXZXCM-UHFFFAOYSA-N	248.279	-0.778	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C(C)C	873796041	BKRMERFDESHELH-JGVFFNPUSA-N	242.275	-0.011	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)C(=S)NC	909991464	AUAKVSFNGPHOPM-OVCGOVNKSA-N	217.294	-0.609	50	10	BBGE	
CCOCC(=O)NN=C(C)[C@H]1COCCO1	1116266622	HODMJAGTONPJLU-SECBINFHSA-N	230.264	-0.070	50	10	BBGE	
Cc1ccnc(C(=O)NN(C)C(N)=O)n1	1321190471	PVSAYJAOLQDSIH-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccc2ncnn12	1625728718	CQQZMUHIYFJUCX-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnn[nH]1)n1ccnc1	1628421584	MCLPZMKNKHILOY-ZCFIWIBFSA-N	249.234	-0.977	50	10	BBGE	
COc1ncc(C(=O)NNc2nc[nH]n2)cn1	1638766490	ALVMXTPWOHWPKA-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
C#CCN(C)CC(=O)NNC(=O)C(C)C	1653502817	FZQNELWXUVCVIF-UHFFFAOYSA-N	211.265	-0.645	50	10	BBGE	
C[C@@]1(C(=O)NNc2nc[nH]n2)CCOC1	1654622607	XURRUNDRBAJLEV-MRVPVSSYSA-N	211.225	-0.326	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NCC[C@@H](C)F	1686581433	MHPLJUQHWAEDCC-RXMQYKEDSA-N	235.215	-0.762	50	10	BBGE	
N[C@@H](CO)C(=O)NC[C@@H]1C[C@H]1Br	1877358245	RCRMZSJMQMORKP-JKUQZMGJSA-N	237.097	-0.794	50	10	BBGE	
OCC1(O)CN(C[C@@H]2C[C@H]2Br)C1	1877485898	RKYBRYBZVLQPMS-NKWVEPMBSA-N	236.109	-0.191	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)CCCl)C[C@@H]1O	1877551298	OZWGLEHTBJJVML-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NN	1879958802	XRPVSGNJCBZJNO-RITPCOANSA-N	233.268	-0.750	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)N1CCC1	1881939901	AOKREWCTFVVOLV-SSDOTTSWSA-N	222.697	-0.233	50	10	BBGE	
O[C@H](CCl)COCCN1CCOCC1	1884725958	NNNTUCQFLUGAIC-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1COC[C@H]1C	1888042894	LRNXLSXALQEPQS-PRJMDXOYSA-N	202.254	-0.194	50	10	BBGE	
CC[C@@](C)(CN(C)CCO)C(=O)NN	1891956614	RDAVCVCVHOCKNL-VIFPVBQESA-N	203.286	-0.683	50	10	BBGE	
N[C@@H]1[C@@H]2CN(C(=O)C=CC(=O)Cl)C[C@@H]21	1893406349	WEMYRADSUXKSMK-GJVVYLMISA-N	214.652	-0.277	50	10	BBGE	
N[C@@]12C[C@H]1CN(C(=O)/C=C/C(=O)Cl)C2	1893504978	PGUHCDIBTHTVJT-ISEUCOEESA-N	214.652	-0.132	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2C[C@H](C1)O2	1895832237	KJIJPWMINNYTHO-OLQVQODUSA-N	218.640	-0.066	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@H](F)C1	1900256147	DUCXXTHAQFWPBM-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
Cc1nc2c(s1)CN(CC(=O)NN)C2	1900860018	OAZWCZCRBAFAJB-UHFFFAOYSA-N	212.278	-0.243	50	10	BBGE	
CCC#CC(=O)Nc1cccc(B(O)O)n1	1902335079	LZBLGYZLGMGFPM-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CCCO2)C1	1902511322	GYWVKYZQMGNGQK-PSASIEDQSA-N	227.069	-0.369	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2ccnnc2)C1	1902533697	BQJOZVGWKJVAGH-SNVBAGLBSA-N	221.069	-0.085	50	10	BBGE	
Cc1scc(C(=O)N(C)C2CC2)c1B(O)O	1902866725	BCWZNHFHQRFWLL-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
CC[S@@](=O)Nc1ccc(C)c(B(O)O)c1F	1905195929	SEGREZMUQUDYSJ-MRXNPFEDSA-N	245.084	-0.091	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2[C@@H]3COC[C@H]2C3)C1	1910353762	JSTRDTUARUWQKG-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
CCCN(C[C@@H]1C[C@H]1C(=O)NN)S(C)(=O)=O	1913828433	JCQCUXGTZOQAAP-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1C(F)(F)F	1916174370	PAMRJPXHAUPGNV-NTSWFWBYSA-N	241.213	-0.372	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1F	1928691883	IBVOEVLDWCSFGJ-BWZBUEFSSA-N	219.260	-0.719	50	10	BBGE	
CN(CCC(=O)NN)OCC(F)(F)F	1928707580	ZZEVNCFYLSWRLI-UHFFFAOYSA-N	215.175	-0.208	50	10	BBGE	
CO[C@H](CNC(=O)NN)[C@@H]1CCOC1	1930526710	YWMSFSTWEZUMCL-RNFRBKRXSA-N	203.242	-0.789	50	10	BBGE	
C[C@H]1CC(=NNC(N)=O)CCS1(=O)=O	1931618961	HKRUDJGXLVTRDE-YFKPBYRVSA-N	219.266	-0.392	50	10	BBGE	
C[C@@](O)(CO)CN1C[C@](C)(CCl)C1=O	1931735789	FKOKLAYGIWNWNQ-IUCAKERBSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1ncnn1C	1932761369	SUABHOYPPFUGIY-YFKPBYRVSA-N	238.700	-0.008	50	10	BBGE	
CC1(CO)CN(CCCCC(=O)NN)C1	1935358216	IMOCYBPFUVFNTG-UHFFFAOYSA-N	215.297	-0.539	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CC(F)(F)C(=O)NN)C1	1935926278	OVFQQPGVJBSPCW-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
Cn1c(O)nc(N[C@@H]2COC[C@H]2Cl)cc1=O	1935980801	NQBSGQVJOPKNLJ-PHDIDXHHSA-N	245.666	-0.096	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CSC[C@H]2C1	1936092527	UUKQPYYYVUAIGF-SGIHWFKDSA-N	241.360	-0.093	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1937462592	KZEXMYASGGLZJO-IVZWLZJFSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1940287724	OSKDBYOCONTEMF-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
N#Cc1ncn(C[C@@H]2C[C@H]2C(=O)NN)c1C#N	1941086121	HFBIQLVUOSKCIO-NKWVEPMBSA-N	230.231	-0.748	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1(C)C	1941089606	WMGCASKWDNHKOP-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
COC[C@@H]1CCCN(CCOCC(=O)NN)C1	1941774367	ICVLBACYWBDIEI-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
O=C(NNCCO)[C@H]1COc2ccccc2O1	1944215582	JYFPJRULGMVGHG-SNVBAGLBSA-N	238.243	-0.561	50	10	BBGE	
COC[C@H]1[C@H]2CN(C[C@H](C)C(=O)NN)CC[C@H]21	1944578132	IJKPIBOOUKPVMB-ZRUFSTJUSA-N	241.335	-0.173	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944604753	WVMPIOUBCWBWCE-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	1947072616	LEYNOAZWGJMOPS-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)N1CCC([C@H](N)[C@H](O)C#N)CC1	1952876154	COFUCVPWXGVAOZ-ZJUUUORDSA-N	211.265	-0.543	50	10	BBGE	
NC(=O)C1CN(C[C@@H](O)CBr)C1	1953617521	IITFQGVUKUZXBO-LURJTMIESA-N	237.097	-0.841	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CN(C)NC1=O	1957319267	TYWRCCNRNXSNTB-NTSWFWBYSA-N	219.672	-0.535	50	10	BBGE	
NNC(=O)CN1CCc2ncccc2C1	1958919367	OPHYRRCKVUWHIQ-UHFFFAOYSA-N	206.249	-0.570	50	10	BBGE	
CC(C)[C@@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1960615598	BBLRVAOAQUGLCZ-KWKYVRJSSA-N	236.341	-0.425	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961364321	HGUCBSUHIWCRIQ-YUPRTTJUSA-N	219.191	-0.023	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC(F)(F)[C@@H]1C(=O)O	1962266648	QFESHEAOUIEBNJ-WHFBIAKZSA-N	222.191	-0.065	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(O)cc1	1962399282	SVJACZHYWVHQBE-UHFFFAOYSA-N	230.245	-0.278	50	10	BBGE	
O=C([C@@H]1CC=CCO1)N1CCC(B(O)O)CC1	1967574458	XGJZTZSZBLKSQF-JTQLQIEISA-N	239.080	-0.203	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cccc(B(O)O)c1	1973854400	QGVODOHRDNCMOJ-SNVBAGLBSA-N	231.060	-0.328	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2OCCC[C@H]2C1	1980815042	ADTMLMWNRJPXBQ-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCCC[C@H]1O	1981407358	ODUKDZSBUCHHEF-JGVFFNPUSA-N	229.280	-0.872	50	10	BBGE	
CC[C@H]1CCCN1c1ncncc1B(O)O	1981414167	OOKKTGYXLUWPCV-QMMMGPOBSA-N	221.069	-0.465	50	10	BBGE	
NN=c1cncc(C(=O)NC2CC(Cl)C2)[nH]1	1983211574	NXOZBBMRMZAFSZ-UHFFFAOYSA-N	241.682	-0.316	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)C[C@H](F)C1	1985768468	YOTSPBOTJNLFQO-BIIVOSGPSA-N	237.250	-0.627	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@H]1CCC(=O)NC1	1986182152	GPWFHHAXGPLQQA-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1990040758	IYKUKJWJJKCDSZ-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	1990538191	BUMJZUCTTVBZPD-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](OCCO)C1	1991651065	QWYYKJZYZYXQAS-QMMMGPOBSA-N	247.678	-0.082	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CC[C@]2(CO)C1	1992491377	VGGMUZSEWYYOER-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@@H]1OC	1992782872	QFWHQMJDHCOAQY-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
COC(=O)N(C)Cc1cc(C)c(B(O)O)s1	1993789135	KQEFNIJMWQIIPT-UHFFFAOYSA-N	243.093	-0.065	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]2COC[C@H](C2)C1	1995164831	RAOVSUABOPLAEJ-BRPSZJMVSA-N	227.069	-0.823	50	10	BBGE	
NNC(=O)CCCN1C(=O)CC12CCOCC2	1996587184	VZDZILAGMKPFOH-UHFFFAOYSA-N	241.291	-0.462	50	10	BBGE	
CC[C@@H](C)CC(=O)Nc1ncc(B(O)O)cn1	1996646102	BCTYGSCSYOXOBW-SSDOTTSWSA-N	237.068	-0.469	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1CCC(O)CC1	1997581557	OHJPKOXAOGEGMY-AGVGLQIMSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC12CC(CO)C2	1997987343	MBUJTVZJIJTWIQ-WDHPUFTPSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)OCC1(C)C	2002289718	GOOMDKXCOYICGB-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
CCO[C@H]1CCN(c2ccncc2B(O)O)C1	2004940748	ZRQNWVWLWCZGEM-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@@]12CC[C@@](Cn3ccc(B(O)O)n3)(CO1)C2	2019468080	GITMXUIWEITWFN-WDEREUQCSA-N	236.080	-0.478	50	10	BBGE	
O=C(C[C@H]1CCCO1)N[C@H]1CCC=C1B(O)O	2020060911	DHFWJXFZFBVIKM-SCZZXKLOSA-N	239.080	-0.228	50	10	BBGE	
COCC(=O)N1CCCc2ccc(B(O)O)cc21	2028507334	FARITMQJNXAVSY-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@]3(CCO3)C2)cc1	2035804334	DSFXUKAPWNZPFF-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@H]1CC[C@H]1N	2043163559	YYECKKMDIZFZPG-ZJUUUORDSA-N	249.318	-0.054	50	10	BBGE	
Cc1nc(N(C)Cc2ccco2)ncc1B(O)O	2052555835	IPNVDZDBJYYESW-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(CN(C)C)C2)n1	2052621482	HYQGVTNDENHAFM-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1cncc(F)c1	2058156864	WBCYQVWPMXUSCF-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(B(O)O)c1C#N	2060281244	IZYZXPKACRSYDI-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC[C@@H]2C[C@H]21	2079009405	RLLHUXBSANTOPW-BXKDBHETSA-N	245.087	-0.009	50	10	BBGE	
NC(=O)COCCNC1CC(Cl)C1	2209402019	HMOKIXOMSTXYEA-UHFFFAOYSA-N	206.673	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN(C)CCOCC(=O)NN	2211401114	WFTOMOCWWGSBKW-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@H]1C[C@H]1C(=O)NN	2211783892	XSOPACVBNCWPFM-FXPVBKGRSA-N	225.292	-0.765	50	10	BBGE	
OB(O)c1ccnc(NC2CCOCC2)c1	2212610873	QHJBZCREGUWIHK-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1ncccc1B(O)O	2212612610	MLVNJSRWPDHMDC-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCOC2(CC2)C1	2215773218	RYRMPMNDIBOPCA-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CN1CC[C@H](COC[C@H]2CC[C@H]2C(=O)NN)C1	2215773571	BRDOBVWJSCOQGM-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2CCO[C@@H]2C1	2215778066	XCHNNCUMROOGQN-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
C=CCC[C@H](N)COc1ccc(B(O)O)cn1	2217190287	MKSUAMGMVROYMI-JTQLQIEISA-N	236.080	-0.566	50	10	BBGE	
C=CC[C@H]1CCN(c2ncc(B(O)O)cn2)C1	2217198174	XQPDUTCEHUVEOW-VIFPVBQESA-N	233.080	-0.441	50	10	BBGE	
OC[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2217201085	NZCUZQUQCCTWSR-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
Cc1cnc(N2CC[C@H](N)C[C@@H]2C)cc1B(O)O	2223648255	JDYNQBXRSDVVPC-UWVGGRQHSA-N	249.123	-0.614	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41	2223665604	HEBQLDUGPXHLDP-ZHPIEBFOSA-N	242.087	-0.316	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@@H]2C[C@@H]12	2223669328	IMWXDDVHEZVWQA-BBHBSTQDSA-N	248.091	-0.810	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CO[C@@H](C2CC2)C1	2223671810	PZTWGCQEYIXABX-GXSJLCMTSA-N	248.091	-0.259	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)c1cc(B(O)O)ccn1	2223675910	UHZJIQWLNQMDGQ-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
CN1CCC[C@H](Nc2ncccc2B(O)O)CC1	2223676251	YUZVJCNZBGHVRP-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC12CCCC2	2224024863	CSCYEBODRTZFRW-VIFPVBQESA-N	248.091	-0.497	50	10	BBGE	
CO[C@@H](CN)C(=O)N[C@H]1C[C@H](Cl)C1	2241654123	SBCKCVQZMBVEQE-ACZMJKKPSA-N	206.673	-0.154	50	10	BBGE	
C[C@@H](Oc1nc(B(O)O)cs1)C(F)F	2241797919	LTGLHQJMDFEMIX-GSVOUGTGSA-N	223.009	-0.145	50	10	BBGE	
CC(C)[C@H]1CC[C@@H](NC(=O)C#CB(O)O)C1	2243356506	IOJIGHHGGSDKIW-VHSXEESVSA-N	223.081	-0.057	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1C[C@@H]1B(O)O	2243396051	GNVMJABUAZQVJA-DKXJUACHSA-N	231.032	-0.908	50	10	BBGE	
CCC[C@@H](N)CNC(=O)C1CC(B(O)O)C1	2243397314	YUDVEXNBTBHDJS-AMDVSUOASA-N	228.101	-0.517	50	10	BBGE	
Cc1cn(C)c(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2243404856	VOYNWQPVNRJBMT-NKWVEPMBSA-N	223.041	-0.470	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C(=O)C1(B(O)O)CC1	2243408598	QBGFOMNYPBBHKY-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CC2)nn1C	2243411524	VJTPUQCTGNYXJM-UHFFFAOYSA-N	224.029	-0.931	50	10	BBGE	
CCCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CNC1	2243420168	NPWXBYPYXFKRSO-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
CN(Cc1csnn1)C(=O)[C@H]1C[C@H]1B(O)O	2243427477	WHTUBUJHQYXZLL-NKWVEPMBSA-N	241.081	-0.641	50	10	BBGE	
O=C(NCC=C(F)F)c1coc(B(O)O)c1	2243769621	ROUXXVARSNUXDN-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2CCC[C@H]21	2244547954	IGJQBHVDXLLRDD-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
O=C(Nc1ncco1)c1cc(B(O)O)sn1	2245938869	BMCAZKXCYFLWQE-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1O)C1(B(O)O)CCC1	2247735670	NPZRERPRYLNVKG-RKDXNWHRSA-N	241.096	-0.197	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CCCO1	2247752820	WIDJPBKJYHIXPO-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
C=COCCCNC(=O)c1occc1B(O)O	2247755448	JULFGOHYPMTBDS-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)[C@H]1CCNC1	2247756168	LLAHMSWSQXHVFO-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2247770670	PXJRUUDMVFPOQJ-ZETCQYMHSA-N	234.064	-0.710	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247800504	PQMQKKJKAWTMQU-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
CN1CCCC12CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247806157	MIMSQSOMWLCGCA-DTWKUNHWSA-N	238.096	-0.844	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247808837	WISAZHHBIFHPCQ-OPRDCNLKSA-N	242.128	-0.271	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247810600	YSLJRKSVCDOSFO-IWSPIJDZSA-N	240.112	-0.552	50	10	BBGE	
N#Cc1cc(NC(=O)C#CB(O)O)ccc1F	2247849985	IHGPCRPGMRRJHF-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1coc(B(O)O)c1	2247853130	GTSKQZOZWIROHV-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
C=C1CN(C(=O)c2ccc(C)c(B(O)O)c2)C1	2247875474	ZDPSESGCWVFRGN-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
C[C@H](CNC(=O)c1occc1B(O)O)C1CC1	2247879135	RDNXTUWCKQEARL-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]1O)C(=O)C1(B(O)O)CC1	2247879976	XCIRSBREFGRQCT-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247896144	XMYMQXUNLYTSQV-KATARQTJSA-N	241.096	-0.674	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247896934	MBMXMXGXHQLVEH-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2247900223	VBINPZMAUSNSDP-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1occc1B(O)O	2255479864	VKZJTNUAYZRUPZ-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(F)cc1B(O)O	2255498725	VCCORUSLEDGDKR-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCc2c[nH]nc2C1	2255557779	BZVBHQVZMALLJD-DTORHVGOSA-N	249.079	-0.453	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1cncc(B(O)O)c1	2255714426	PXNSRGUWUBQBPE-SECBINFHSA-N	246.075	-0.543	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1ccoc1B(O)O	2255715542	HIQBYISKNPNLQS-UFBFGSQYSA-N	249.075	-0.121	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2255726437	CUOFLVMCCMOKII-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C=CCN(C(=O)c1ccncc1B(O)O)C(C)C	2255729733	ZXNHKICEDFZCCH-UHFFFAOYSA-N	248.091	-0.202	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258129616	XQJPFBBJBRQOSM-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CO1	2298376681	IRXMHOXVYIZHBU-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2300062395	SGCLYSMEVPQXSN-HRDYMLBCSA-N	242.128	-0.271	50	10	BBGE	
N#CC1(F)CN(Cc2ccoc2C(=O)NN)C1	2301426727	JBGOVOGACRNXHO-UHFFFAOYSA-N	238.222	-0.069	50	10	BBGE	
C[C@@H](COC[C@@H]1COC(C)(C)CO1)C(=O)NN	2301605577	NXFZSSZDKPIQLR-DTWKUNHWSA-N	246.307	-0.177	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1CN2)[C@H]1C[C@@H](B(O)O)C1	2302282631	NUJRCFHLYCJZGS-CIQUZCHMSA-N	238.096	-0.894	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CC[C@@](C)(B(O)O)C2)C1	2303106307	TVYLNYNWHDIHOG-MWLCHTKSSA-N	240.112	-0.597	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303111202	HBRCQBJJWTZMEO-KOLCDFICSA-N	240.112	-0.454	50	10	BBGE	
CC(C(=O)O)=C(C)C(=O)N1CC[C@H](B(O)O)C1	2303112888	WIHUGAVURZITFJ-QMMMGPOBSA-N	241.052	-0.517	50	10	BBGE	
C[C@@]1(B(O)O)CCN(Cc2cc(CO)on2)C1	2303123908	NEWIZGIQEDHKCP-SNVBAGLBSA-N	240.068	-0.394	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCCO)C1CCOCC1	2307613152	IAJGJQARHLFMFS-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@@H]21	2312516185	PYVGVPQPAWVSNK-UPMLMMEUSA-N	249.314	-0.131	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](Nc3ccc(B(O)O)cn3)C[C@H]12	2312612251	LBCGPLSRJHJGFE-ASXGKARISA-N	247.107	-0.701	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2312853292	TZIIASWNQGTDOE-NBEYISGCSA-N	249.079	-0.314	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)nc1	2328035512	PPTDCWMCHZIHSZ-DTWKUNHWSA-N	249.079	-0.051	50	10	BBGE	
N/C(=N\[N+](=O)[O-])NNC(=O)Nc1ccccc1	59514277	ZRJOIPJRUNZWCB-UHFFFAOYSA-N	238.207	-0.181	50	10	BBGE	
CCOCCN(CC)C[C@@H](C)C(=O)NN	82538307	RQXIOJDTOAHOFP-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
CN1CCN(C(=O)C(=O)NN)c2ccccc21	104257822	KIZSMCOSPMKUSU-UHFFFAOYSA-N	234.259	-0.541	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1[C@@H](C)[C@@H](C)C(=O)NN	122381555	CIRAZEUGWCEXMM-JXUBOQSCSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@H]1CO	135326670	WIUVQLDQFSKRPZ-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
O=c1ccc(NS(=O)(=O)CCl)n[nH]1	161136705	GVQSWPAFIYTAKD-UHFFFAOYSA-N	223.641	-0.292	50	10	BBGE	
Cn1nnc(NC(=O)CCBr)n1	168502576	UDPZEFKJBMLDCV-UHFFFAOYSA-N	234.057	-0.066	50	10	BBGE	
CN1C(=O)N=C(N)[C@@H](Br)[C@H]1O	197856536	CZAIPGUEWQIKRG-VVJJHMBFSA-N	222.042	-0.509	50	10	BBGE	
OB(O)c1cncc(-c2ccncc2)c1	203613490	DNDNWJXDMVGOQM-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CCOCOc1cc(F)cc(B(O)O)c1	211807897	XOXMMFWNLFEIRV-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
O=S(=O)(CCCl)NCCOCCO	232298954	NAGJMZGHLFKDLL-UHFFFAOYSA-N	231.701	-0.847	50	10	BBGE	
CC(=O)CC(=O)c1ccccc1B(O)O	238084752	PLTDABQXBGASKZ-UHFFFAOYSA-N	206.006	-0.472	50	10	BBGE	
Cc1ccc2ccc(B(O)O)c(O)c2n1	238527179	YVAAPOGNGWJMNF-UHFFFAOYSA-N	203.006	-0.071	50	10	BBGE	
CNC(=O)CS[C@H](C)[C@H](C)C(=O)NN	300859323	UXWNXIOAHTYOIL-NTSWFWBYSA-N	219.310	-0.520	50	10	BBGE	
CCN(CCOCCO)[C@@H](C)CC(=O)NN	304251855	REWFUPGKBLVYKK-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
NC(=O)[C@H]1CCC[C@H]1NC(=O)CCl	306551848	ISJIITYKGLKIAG-NTSWFWBYSA-N	204.657	-0.005	50	10	BBGE	
Nc1c(O)ccc2scc(B(O)O)c12	307133427	XKONOLYNVVTPAB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCCOc1ccc(B(O)O)c(C=O)c1	308937084	CXIOQHFZHNDNQN-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CNCCS[C@H](C)[C@@H](C)C(=O)NN	382649586	RRIGMFIZKKJDID-RNFRBKRXSA-N	205.327	-0.047	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCCCO	384812468	DJFWIXMWKVCESC-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1[C@H](C)CCC(=O)NN	384991998	CUGKPNUQVSWIAU-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CCS(=O)(=O)NCCNC(=O)[C@H](C)Cl	390058421	AFTQKPLVHPJHLL-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@@H]1CC[C@H](C(=O)NN)O1	390804753	XSMFQGPSAODKRS-HRDYMLBCSA-N	241.291	-0.465	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOC[C@H]1CO	395601638	CJEOEJIXHRMWKE-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
Nc1c(CO)sc2c(B(O)O)cccc12	396255313	XTJLMJSIBGKTDL-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C[C@@H](CO)C1	398834010	QFJNEDXBMYXULA-WCBMZHEXSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(OC(F)F)C1	399928754	NOKJZFUEMVGXJC-WDSKDSINSA-N	237.250	-0.076	50	10	BBGE	
CC[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@H]1O	399955979	ZSMCYKXQDAGKCU-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCCO)C1CC1	404260739	VYUIJPGXHMOMBL-JTQLQIEISA-N	229.324	-0.152	50	10	BBGE	
C/C=C\C(=O)Nc1ccc(B(O)O)cc1	404940554	KODJGQIXDWYOCD-IHWYPQMZSA-N	205.022	-0.119	50	10	BBGE	
Cc1ccc(NC(=O)N(C)C)c(B(O)O)c1	405156970	XKAKTMZFGVOMMC-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
C/C=C/C=C\C(=O)NNC(=O)[C@@H]1COCCO1	491928645	YNWUFIWCHZXGIT-DUVSRYBSSA-N	240.259	-0.319	50	10	BBGE	
CN1CCC[C@@H](NCc2cccc(B(O)O)c2)C1	585018733	QOKDCERURJHOFV-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
OB(O)[C@H]1CCN(CC[C@H]2CCOC2)C1	585074436	ADEUSUZOJNMCME-UWVGGRQHSA-N	213.086	-0.038	50	10	BBGE	
O=C(NCCO)C1=C=S=C(Cl)N1	642826694	ACJGOWDZBQUFBM-UHFFFAOYSA-N	206.654	-0.958	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@]1(C)CCOC1	687519593	MVGLOJUAZNGGHZ-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
CCN([C@H]1CCN(C)C1)[C@@H](COC)C(=O)NN	693435101	FKFFGZSBVIOLMJ-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@](C)(CO)C1	694663164	VKLLOJOBFMYXSB-KKZNHRDASA-N	229.324	-0.295	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1COCCO1	703439744	QCJVUXSOICAZFM-DJLDLDEBSA-N	241.243	-0.682	50	10	BBGE	
O=C(CCCl)N[C@H]1CCOC[C@@H]1O	706712601	UOWKOGBHSKOZRX-BQBZGAKWSA-N	207.657	-0.119	50	10	BBGE	
C#CCC[C@@H](O)CNS(=O)(=O)CCCl	717912406	IKXVWLJOQXPKLL-MRVPVSSYSA-N	239.724	-0.081	50	10	BBGE	
CC[C@H](C)C(=O)NCc1cnc(B(O)O)s1	718796334	GDQSBEYRUWKIRM-LURJTMIESA-N	242.109	-0.515	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN2CCC1CC2	722805705	BEOCDFBCLLSWHK-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
NC(=O)NNC(=O)c1cccn2nccc12	723526042	ZHVLIFYDNDEURW-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
C[C@@]12CSC[C@H]1CN(CC(=O)NN)C2	725663091	AHRSXEHBGDJMRS-VXNVDRBHSA-N	215.322	-0.339	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CCC(F)F	795071264	UEQMBBAPLMENCP-UHFFFAOYSA-N	223.223	-0.259	50	10	BBGE	
CC1(Cn2cc(B(O)O)cn2)CCOCC1	886066865	WEPOINJLNRKQQD-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
CCn1ccnc(N2CC[C@@H](B(O)O)C2)c1=O	1118914977	DYEPQKLZYKXRAI-MRVPVSSYSA-N	237.068	-0.684	50	10	BBGE	
CNC(=O)CNS(=O)(=O)C(Cl)Cl	1201827517	FJWPBXUQGAOETL-UHFFFAOYSA-N	235.092	-0.587	50	10	BBGE	
C[C@@H](CC(=O)NN(C)C(N)=O)c1cnn(C)c1	1295201024	JBLLWDJDMWUCEK-ZETCQYMHSA-N	239.279	-0.045	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc(COC)c1	1330169067	QRBUFHNJZJNDDL-UHFFFAOYSA-N	238.247	-0.198	50	10	BBGE	
O=C1NCCO[C@@H]2CCCN(C(=O)CCl)[C@@H]12	1348502126	IWAUVCNMFIAVDT-VXNVDRBHSA-N	246.694	-0.269	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1ncccn1	1464016848	LCEXFLIQKUONTH-DQZUBPPWSA-N	208.221	-0.143	50	10	BBGE	
Cn1ccc(NNC(=O)c2cnnn2C)n1	1611272533	KXEKDDHPCMVAPZ-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
COC/C=C\C(=O)NNC(=O)c1cc[nH]n1	1640344890	DKXACJOBJRKFRY-IHWYPQMZSA-N	224.220	-0.627	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1C[C@@H](C)[C@@H](O)C1	1652931864	JAMAXMRRJCHLMI-BDAKNGLRSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](CC(N)=O)C(=O)O	1859450406	XGJOQQMNKCIURD-IMJSIDKUSA-N	222.628	-0.942	50	10	BBGE	
NC(=O)CONC(=O)[C@@H]1C[C@@H]1Br	1877403528	UYSHOIRSIBFNSI-DMTCNVIQSA-N	237.053	-0.697	50	10	BBGE	
C[C@@H]1C[C@@H]1COCCOCC(=O)NN	1877781729	SVXRLUQTGZSUHR-HTQZYQBOSA-N	202.254	-0.335	50	10	BBGE	
O=S(=O)(CCO)NC1CC(Cl)C1	1880566720	FQGZDOBUDJXHML-UHFFFAOYSA-N	213.686	-0.332	50	10	BBGE	
NC(=O)[C@H](N)CNC[C@H]1C[C@H]1Br	1881362843	NQZCYFMYGMVJBZ-HSUXUTPPSA-N	236.113	-0.828	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)c1nc[nH]n1	1882166375	STAPPDMOHBCMCT-SCSAIBSYSA-N	224.673	-0.290	50	10	BBGE	
C=CCNC(=O)NN(C)S(=O)(=O)CC	1888553833	CUELRUGQIZVCTG-UHFFFAOYSA-N	221.282	-0.332	50	10	BBGE	
C[C@H](CN1CC[C@@H](F)C1=O)C(=O)NN	1889043922	ZSMJTPYIXTUMOR-PHDIDXHHSA-N	203.217	-0.817	50	10	BBGE	
CC(C)[C@@H](O)CN1CC[C@@H](B(O)O)C1	1891490605	FIOSTMUQMCJPLX-BDAKNGLRSA-N	201.075	-0.448	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CC[C@@H](B(O)O)C1	1891518356	ZJKHWNQLWRNDAC-QYNIQEEDSA-N	201.006	-0.580	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCSC1	1891993373	FXMBOZGPNCMOSH-UHFFFAOYSA-N	215.083	-0.228	50	10	BBGE	
CO[C@H](C)CC(=O)NCC=CB(O)O	1892925069	SGXQJULYXCLJSU-SSDOTTSWSA-N	201.031	-0.904	50	10	BBGE	
CC(C)(C)S(=O)(=O)NCC=CB(O)O	1892925511	VKAZFKAWBSVRSL-UHFFFAOYSA-N	221.087	-0.728	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2C[C@H]2[C@@H]1CO	1896435060	LAFZHZZTBWTIGV-RNJXMRFFSA-N	239.724	-0.132	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H]2CC[C@H]1N2)S(C)(=O)=O	1901339711	RZNWCBMGIXOMPK-GJMOJQLCSA-N	247.320	-0.951	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCC[C@@H]1N	1901344901	XZVQGXMBTXITQG-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](NC)C1	1901376490	BDROKRYUGFZDLY-OCAPTIKFSA-N	249.336	-0.703	50	10	BBGE	
O=C1NCC[C@@H]1CCN1CC[C@@H](B(O)O)C1	1902533874	FFXDMAJCWIQBIN-RKDXNWHRSA-N	226.085	-0.939	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1CC[C@@H](O)CC1	1905866121	OHJPKOXAOGEGMY-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](CC#N)C1	1915022266	GQZQKNGKQMJCEC-BDAKNGLRSA-N	226.280	-0.773	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@@H](F)C1	1929872334	NSHPPBBVVBDADL-WHFBIAKZSA-N	217.649	-0.473	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2CCOC[C@H]21	1930434371	SRWWTKXJFFVANP-KVQBGUIXSA-N	215.278	-0.867	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(F)(F)C(=O)NN)CO1	1935924318	AWUNVEFCSAGNRZ-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
COCCOCCOC[C@@H]1C[C@H]1C(=O)NN	1936089510	DADAGHMIYPYDAK-DTWKUNHWSA-N	232.280	-0.708	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CC(F)(F)C(=O)NN	1939642918	VWQSWLSZAQBGRA-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941086949	LCNVPAQPNOZRMC-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1CCOCC(=O)NN	1941773323	WLLMNTCRWPLXBE-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
O=C(CCC(F)F)Nc1ccnc(B(O)O)c1	1942300171	KRHPWAPGPPGECM-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)[C@@H]1C(N)=O	1942615758	KKTTVCPLXPUCAV-SFYZADRCSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@@H](CC1=O)C2(F)F	1946720616	JIVLFBGISDKTHV-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC2)C[C@@H]1CO	1949696577	FQAJMCXPERNGCA-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
O=C([C@H]1CCOC1)N1CCC(B(O)O)CC1	1951320416	KSVQVHYGSIAFOA-QMMMGPOBSA-N	227.069	-0.512	50	10	BBGE	
CO[C@H](CCSC)[C@H](N)[C@H](O)C#N	1952792395	GZSUMXOSIXLGPO-BWZBUEFSSA-N	204.295	-0.034	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)CC(=O)NN)C1	1954964314	OFGACSMFPBFJFA-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCB(O)O)CCS1	1955420637	KUWUMVCPOLJWDY-RNFRBKRXSA-N	217.099	-0.354	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@]1(CO)CCNC1	1955442977	IUYZFTSRDHYBHP-MRVPVSSYSA-N	241.118	-0.122	50	10	BBGE	
CCC[C@@H]1CCOCC[C@]1(N)B(O)O	1956321955	NKEYUYJASCKOND-RKDXNWHRSA-N	201.075	-0.077	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@@]12CC2(F)F	1956903999	JANDSCGJCFLLLO-AWFVSMACSA-N	205.164	-0.269	50	10	BBGE	
NNC(=O)CCN1CC(F)(F)C[C@H]1CO	1958320439	AVIYOHRUGZVSMG-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
NC(=O)CN(CCCCCCl)CC(N)=O	1960159668	QEIMFFZZWXAANS-UHFFFAOYSA-N	235.715	-0.332	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)[C@@H]1C	1961681577	UZCMABUJIOLYIY-NKWVEPMBSA-N	207.042	-0.999	50	10	BBGE	
CCCN(C)c1cc(C)c(B(O)O)cn1	1961692968	XLMOTBJWAWULEZ-UHFFFAOYSA-N	208.070	-0.084	50	10	BBGE	
OB(O)c1csc(N2CCCSCC2)n1	1961717650	DGEPOKVXNWDVPU-UHFFFAOYSA-N	244.150	-0.234	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC(F)C1	1961718946	WCWYSNBWMSGUMF-UHFFFAOYSA-N	230.435	-0.427	50	10	BBGE	
CC[C@H](COC(F)(F)C(=O)NN)N(C)C	1974978538	ZCEWRDRIEPWUDB-ZCFIWIBFSA-N	225.239	-0.074	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@@H]2C1	1975104862	VCXJQICDRYZOTL-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
CN(C(=O)NN)[C@H]1CO[C@]2(CCOC2)C1	1975213664	ULZZLFRJODBVFH-VXNVDRBHSA-N	215.253	-0.551	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1976989134	IANZOBGMSNXFRQ-VQVTYTSYSA-N	229.041	-0.925	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CC[S@@]1=O	1980949466	INUVNKPBRSHLRO-INIZCTEOSA-N	247.364	-0.401	50	10	BBGE	
CC1CC(N(C)c2ccc(B(O)O)cn2)C1	1981408469	ARRIPZHVCKJQSC-UHFFFAOYSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCC[C@](O)(C(N)=O)C1	1982344372	RCYKSVFJSCSYEG-OIBJUYFYSA-N	248.710	-0.157	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC[C@@H]2O)C1	1984543299	RUSCMFQIRUCVHQ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CO)N(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	1985358361	YRQSJAHJTYLXGH-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CC2(COC2)C1	1985557651	PSXUBTLRMDISIP-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)[C@@H]1C1CC1	1987390598	DWYZWUPUKRXGSV-KOLCDFICSA-N	227.308	-0.398	50	10	BBGE	
Cc1cnc(C(=O)NCC=CB(O)O)cn1	1991326429	GRMIGCBNWLTZEW-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
COC[C@@]1(NC(=O)/C=C/C(=O)Cl)CCNC1	1991703518	IDEDSHZZJOCPSO-VMZHVLLKSA-N	246.694	-0.197	50	10	BBGE	
CN1CCCN(C(=O)/C=C/C(=O)Cl)CC1=O	1991704466	SPVOLEROWFLEOH-ONEGZZNKSA-N	244.678	-0.001	50	10	BBGE	
CO[C@@H]([C@@H](C)NC(=O)C(=O)NN)C(F)(F)F	1991805762	CSRYRHIHZNCVSJ-DMTCNVIQSA-N	243.185	-0.942	50	10	BBGE	
C=C(CN(C)C[C@H]1CCCS1(=O)=O)B(O)O	1992145007	DUXXZNBOLGWODH-SECBINFHSA-N	247.125	-0.936	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H](CCCl)C(=O)O)n1	1994358157	YEHRBJZBGYKCKU-YFKPBYRVSA-N	246.654	-0.373	50	10	BBGE	
COC[C@H](C)OCc1nn(C)cc1C(=O)NN	2003510485	VTAWCYIRYGNCGG-ZETCQYMHSA-N	242.279	-0.425	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	2004601803	BOJJTGLNZUABKH-UTINFBMNSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cnc(OCCCC(F)(F)F)nc1	2004952414	ROFPDRQZXWZUSK-UHFFFAOYSA-N	249.985	-0.122	50	10	BBGE	
Cc1ncnc(N(C)[C@@H](C)C(C)C)c1B(O)O	2004973330	SQCWFHWBMSJEEI-VIFPVBQESA-N	237.112	-0.054	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3CC2C3)n1	2005014990	UQIDPVWUGYARRU-UHFFFAOYSA-N	233.080	-0.628	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC2(CC1)COC2	2008334573	QSSZENVLSFBPKK-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980773	ZSHLCBVITMVDHV-LNFKQOIKSA-N	241.335	-0.154	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1C[C@@H](C)C(=O)NN	2014047269	ZWQVKDHEIAJPQA-SFYZADRCSA-N	244.295	-0.957	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC[C@@H]2O)CC1	2014133617	HEHAUQQLOLIXNS-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](F)C2	2017215951	WMZLGXNLUNMCNT-JXUBOQSCSA-N	245.298	-0.044	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@@H](C)O[C@H]1C	2019211484	QGQBKHBDCNKEAO-KHQFGBGNSA-N	243.307	-0.349	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CO[C@H](C)C1	2019219160	JTVIVSDOSQRVDG-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
Cc1ncoc1C(=O)N[C@H]1CCC=C1B(O)O	2020062367	QJTVRCUPRJQEFM-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCOC2(CCC2)C1	2020649493	FNOBFCHTGFIMLK-QMMMGPOBSA-N	241.291	-0.464	50	10	BBGE	
CC1(C)CC12CC(C(=O)NCC#CB(O)O)C2	2021114266	LTQPXQWYLYTMJA-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@]2(CO)C1)C(=O)NN	2021655195	MSKBFRAUGQBKTR-BXKDBHETSA-N	241.335	-0.293	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccc2nncn2c1	2041810311	REPQABJRLFWZQO-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2052470128	ZXBMNSXRAIJENU-AJMBDSBFSA-N	244.103	-0.148	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)CC1(C)C	2052492793	WCQNSATWJWNYMN-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCOc1c(C#N)cc(B(O)O)cc1OC	2060199553	QCVSRLZWFRRWOU-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
O=C(NCC1(O)CCC1)c1ccccc1B(O)O	2079009461	HSDFUXCSBHLLTM-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
OB(O)c1ccccc1COCc1ccnnc1	2086133462	QQFOINCYOFUNGA-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1cccc(B(O)O)n1	2086425168	QFANIYOCVVTBGH-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
N=c1nnc(=NC[C@H]2C[C@H]2Cl)[nH][nH]1	2209172599	HHCZRPWYNXNEDQ-QWWZWVQMSA-N	200.633	-0.860	50	10	BBGE	
O=c1c(F)cncn1C[C@@H](O)CCl	2209383924	AIODSLCEVVGTCG-YFKPBYRVSA-N	206.604	-0.018	50	10	BBGE	
OB(O)c1cscc1CN1CC2(CC2)CO1	2211138522	WDZQRKJHRKJJLJ-UHFFFAOYSA-N	239.105	-0.045	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)CCO1	2211838663	JWPMRQCADANEOD-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CCCOCCSc1ncc(B(O)O)cn1	2212095702	QXIGVRQDOZCZNY-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1ccc(B(O)O)cn1	2212603250	NKZLZHUWIAKJJJ-APPZFPTMSA-N	222.053	-0.649	50	10	BBGE	
CC[C@H](CN)COc1cc(B(O)O)ccn1	2212605440	DYIQTJHNGZLLBV-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
CC[C@H](Oc1ccc(B(O)O)cn1)[C@H](C)N	2212606547	VSTQODDMLOGUKB-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C3(CC3)C2)CCC1	2216529351	CEIYIMNTFYUHNH-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
CC[C@H](N)C[C@H](C)Oc1ncccc1B(O)O	2217171135	ATAMJFMAOUXUSW-IUCAKERBSA-N	238.096	-0.344	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)c1cc(B(O)O)ccn1	2217172520	KVHWKFMCFFFVME-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
C=C(C)COCCNc1cc(B(O)O)ccn1	2217177909	OYVFWQCUQKPRTP-UHFFFAOYSA-N	236.080	-0.234	50	10	BBGE	
COC[C@@H](C)COc1cc(B(O)O)c(C)cn1	2217182989	HZWDEQZPLHHJEX-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
NC1(CNc2nccc(B(O)O)c2F)CCC1	2217185541	YXOREGNIEWVTBU-UHFFFAOYSA-N	239.059	-0.806	50	10	BBGE	
CC(C)(Oc1cc(B(O)O)ccn1)C1CNC1	2217190926	BERZDYMAHPXIAW-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CNC[C@H](Oc1cc(B(O)O)ccn1)C1CC1	2217192398	IALKDYNZXCBTBM-JTQLQIEISA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cccnc1NCC1CCOCC1	2217201328	DBKABPZCVYTCEK-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCCC[C@H]21	2217336427	DOZZCNAWQQCCBG-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@H](O)[C@H]2C3)cc1B(O)O	2223648598	NKXZIXPXEDVGGO-FBIMIBRVSA-N	248.091	-0.971	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(c2ncccc2B(O)O)C1	2223648764	PMIFSWFZYIEDJI-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@H]2CN3)cc1B(O)O	2223651632	DGUPZMURXVJYCV-ZJUUUORDSA-N	247.107	-0.990	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CN[C@H]3CCC[C@H]32)nc1	2223669560	LINSTHKZOOEARF-OUAUKWLOSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3C[C@H]2C[C@@H]3O)c1	2223673821	HVWYMHANYDLYDE-OEIWMXHLSA-N	248.091	-0.667	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCNC[C@H]2CC3)c1	2223678686	GGNYMSRSOJEMAG-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
CCCCN(O)C(=O)[C@H]1C[C@H]1B(O)O	2241481059	QRTXFMCQWNGAPL-NKWVEPMBSA-N	201.031	-0.133	50	10	BBGE	
OB(O)c1cccnc1NCC=CCl	2242565736	VLZZMRRQRVYCKA-UHFFFAOYSA-N	212.445	-0.074	50	10	BBGE	
Cc1ccc(N(C)C(=O)C#CB(O)O)cn1	2243362844	XFYADZOFMXJQIS-UHFFFAOYSA-N	218.021	-0.632	50	10	BBGE	
CCCN(C(=O)C1(B(O)O)CC1)C1CNC1	2243363695	KRNGGFHFZSSJIK-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
O=C(N1Cc2nc[nH]c2C1)C1(B(O)O)CC1	2243366102	XLVSIVMCQLDGQG-UHFFFAOYSA-N	221.025	-0.741	50	10	BBGE	
CCNCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243372671	JGOPLKQWNXVSOF-DTORHVGOSA-N	228.101	-0.645	50	10	BBGE	
O=C(NCCCCF)c1csnc1B(O)O	2243378654	XFJKMSUJHOFIPA-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
C[C@@H]1CCC[C@H]1CN(C)C(=O)C#CB(O)O	2243401229	OGONVWBEGLNCHR-ZJUUUORDSA-N	223.081	-0.104	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CCC1	2243408613	QIXQZSPZBSISOW-UHFFFAOYSA-N	223.012	-0.649	50	10	BBGE	
C=CCN(C(C)C)S(=O)(=O)CC(=C)B(O)O	2243413046	YMPBJEDVRIWTBP-UHFFFAOYSA-N	247.125	-0.219	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](O)C1)C1CC(B(O)O)C1	2243413353	FAMIVHLXBVCLAL-VATVDVGSSA-N	227.069	-0.874	50	10	BBGE	
C=C(CC)CNC(=O)c1sncc1B(O)O	2243414779	IDIDGBWNCQGFKF-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
COC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243414818	IRNODLBGKNNSHU-HRDYMLBCSA-N	227.069	-0.656	50	10	BBGE	
COC[C@@]1(C)C[C@H]1Cn1cc(B(O)O)cn1	2243817440	IEJHMWRMHUBWQM-WCBMZHEXSA-N	224.069	-0.765	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cocc1B(O)O	2244215852	GVBSEMKMKHLXQF-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
OB(O)C=Cc1ccn(C[C@H]2CCOC2)n1	2244403961	NBWDAZTTWNTWSW-SECBINFHSA-N	222.053	-0.055	50	10	BBGE	
Cc1scnc1C(=O)NCCC#CB(O)O	2244546890	RWGOCJWLIFYYJT-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C)CCC(=O)NN	2245132519	SOIUXLMGOANBGZ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
N[C@H]1CC[C@@H]1Oc1cc(B(O)O)c(Cl)cn1	2245913010	KQXUPTVRYQDALY-YUMQZZPRSA-N	242.471	-0.717	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(O)C[C@@H]3C2)CCC1	2246749207	PRHUKXRZEXYYOO-SKDRFNHKSA-N	239.319	-0.397	50	10	BBGE	
O=C(N1C[C@@H]2CCO[C@@H]2C1)C1(B(O)O)CCC1	2247753590	BAPCVPSXUBJBGC-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
Cc1nc(C)c(CNC(=O)C2(B(O)O)CC2)o1	2247755041	ILYDXZKSWXKGPW-UHFFFAOYSA-N	238.052	-0.085	50	10	BBGE	
CCC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247797900	OFNPOQMPLVJWIC-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247804586	HRZCRULUSFDFLF-KATARQTJSA-N	240.112	-0.694	50	10	BBGE	
O=C(NC12CCC(CC1)OC2)[C@@H]1C[C@@H]1B(O)O	2247804767	IKYSZCSHBKOFBX-GWMJWBFUSA-N	239.080	-0.323	50	10	BBGE	
CC[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCO1	2247810000	SYZMBODQHAGPNH-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NC[C@@H]1CCCCCN1)[C@@H]1C[C@H]1B(O)O	2247810731	ZSPPDGWOPJVHDJ-IVZWLZJFSA-N	240.112	-0.502	50	10	BBGE	
CC(C)n1ccnc1CNC(=O)C#CB(O)O	2247841303	HMPLOBMSHZSPGO-UHFFFAOYSA-N	235.052	-0.904	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC=C(F)C1	2247847453	XLRMIUQHMAZRLA-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1COC2(CCCC2)C1	2247849443	ZYMSPBMDBSQOPW-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@H]2CCC[C@@H]1C2	2247851179	WJBHRSQMQZAYPJ-DTORHVGOSA-N	234.064	-0.539	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)C1CC(B(O)O)C1	2247854673	GZNLZFIBVKDMGD-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877160	CNMGJGQZZQCPBU-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C[C@]12CO[C@](CNC(=O)[C@H]3C[C@H]3B(O)O)(C1)C2	2247886312	ANISCJBFJNLLKA-GISOBZBCSA-N	239.080	-0.465	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2C[C@H]2C)c(B(O)O)c1	2247891909	QGCGMOPXSMKPTF-APPZFPTMSA-N	234.064	-0.792	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC=CC[C@H]1CO	2247898056	ZZPSACSSDQKNFO-GUBZILKMSA-N	239.080	-0.611	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COCC[C@H]21	2247898076	AEEXXYKWBBKPQI-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
Cc1nnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)o1	2247898325	CIVYIUXKVDVGGW-LJGSYFOKSA-N	239.040	-0.753	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)C1CC(B(O)O)C1	2247911746	YBYMLPLBSQGTCY-AUXWQGHOSA-N	243.112	-0.237	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1ccc(B(O)O)cc1	2247975203	XPOYHHMDCYNLJQ-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
C#CC(=O)N1CCCc2cc(B(O)O)ccc21	2248428664	CYHONALBBPQVGG-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2248577668	NPURMXXSVJRISV-PRJMDXOYSA-N	243.068	-0.837	50	10	BBGE	
OB(O)C1CCN(CC[C@H]2COCCO2)CC1	2249377660	HHSAWJZFEDQYCZ-NSHDSACASA-N	243.112	-0.269	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1cocc1B(O)O	2249422650	RFLZHVCLQDWYAK-OIBJUYFYSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCCN1	2249943454	KBSBWYJEQVAYEZ-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
CC1(NC(=O)c2ccncc2B(O)O)CC=CC1	2255450512	XEJMNLKSBXQWFU-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1	2255476845	QTXYRDHTMXGLGX-FIQHERPVSA-N	245.087	-0.328	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2ncon2)c1	2255513251	NROYZYICTIFVDE-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(N[C@@H]1CC12CCCC2)c1n[nH]cc1B(O)O	2255550725	ZHSYIWQYOAJSAL-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1n[nH]cc1B(O)O	2255553111	UJJNNBRRGSVFBW-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2255680830	UCJJVHLHVIXIIS-MIBSWOBISA-N	247.059	-0.560	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2255728813	LWCZWFMIFPZALG-NEPJDUFXSA-N	247.059	-0.560	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1coc(B(O)O)c1	2255732292	SJXRPIFCOICWLW-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1nccc(C)c1B(O)O	2255786241	QMJDWSLLENTJOQ-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1cocc1B(O)O	2258127837	LTIQZUPATINWAK-MRVPVSSYSA-N	249.075	-0.169	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)C1CC(B(O)O)C1	2261291681	AIYLEOGARPGZRL-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
CO[C@@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2298371694	SCXWCQYPFXKNQY-KKZNHRDASA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376814	PYHQCDPEVZYQNU-JDDHQFAOSA-N	241.096	-0.126	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2298377022	BESDLIBHNNFRQD-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
CN(Cc1occc1C(=O)NN)CC1(O)CC1	2301867509	RTNVWTKEKQETFS-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	2302403844	QFIAKUJROLPHPH-ZNSHCXBVSA-N	240.351	-0.221	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@]23C[C@H](CO2)C3)C1	2303111805	NBTTUVJBQFDDNL-IEBDPFPHSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	2303426513	OUIQPQATKGWLJC-KLBPJQLPSA-N	241.335	-0.152	50	10	BBGE	
COC[C@]1(CO)C=CCN1[C@H](C)CC(=O)NN	2306857415	VTODNZMJHSBHRF-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
C[C@@H]1[C@H](N)CCN1c1ccc(B(O)O)cc1C#N	2317166653	XPILSTWWLZSAPA-LDYMZIIASA-N	245.091	-0.836	50	10	BBGE	
N#CC1(F)CN(C(=O)c2cccc(B(O)O)c2)C1	2317369973	UIKMAZREBUZKEL-UHFFFAOYSA-N	248.022	-0.946	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2321007371	AIAPQFBKAQWLRM-MWLCHTKSSA-N	248.091	-0.236	50	10	BBGE	
N[C@@H](CSSC[C@H](O)C(=O)O)C(=O)O	3650137	MAFDYIDMXCXBRB-IMJSIDKUSA-N	241.290	-0.775	50	10	BBGE	endogenous,in-man
C[C@H](Cl)C(=O)NC(=O)N(C)CC(=O)N(C)C	37271922	YRXZMJAXBBSODS-LURJTMIESA-N	249.698	-0.130	50	10	BBGE	
CC1(C)NC(=O)N(NC(=O)CCl)C1=O	40166088	OMEHNQLJEYVYIS-UHFFFAOYSA-N	219.628	-0.413	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@H](C)C1	82466172	AGQWJZLKRPUHMQ-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1ccnc1C#N	87344561	SAQPVSVARVCRNG-RQJHMYQMSA-N	207.237	-0.058	50	10	BBGE	
O=C(c1c[nH]nn1)N1CCO[C@@H](CCl)C1	88096186	UXQQGTLPDYROBH-LURJTMIESA-N	230.655	-0.116	50	10	BBGE	
CC(=O)N1CCNC[C@@H]1C(=O)CCl	156816664	DONQPWTVZWHEEW-SSDOTTSWSA-N	204.657	-0.385	50	10	BBGE	
N[C@@]1(C(=O)O)CCCC[C@@H](B(O)O)C1	197888559	HWUAOJOFZVUISD-SVRRBLITSA-N	201.031	-0.424	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C1CCOCC1	199008935	PRXCGFFPPYWMNJ-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cccc(O[C@H]2CCOC2)c1	203528496	SJFGCLLFAWAROV-JTQLQIEISA-N	208.022	-0.466	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccccc2=O)n1	236255100	JOHIOHNNLFQOOK-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
OB(O)c1ccnc(-c2ccccc2)n1	238651652	NQWQCNZDXGREEM-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)ncc1F	306780037	IHHZWDYTJKILLH-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CC(C)[C@H](On1nnc2ccccc21)C(=O)NN	310780850	OTVXNBFKTKUGQG-JTQLQIEISA-N	249.274	-0.126	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NC2CC(O)C2)[nH]1	381040660	GAMYQWCIHLYNFK-KXGSVCODSA-N	243.698	-0.059	50	10	BBGE	
CCn1ccnc1CN1CC(=O)OC(=O)C1	385210667	JANJEAVRQPQGDH-UHFFFAOYSA-N	223.232	-0.212	50	10	BBGE	
O=C(O)CCc1cc(F)cc(B(O)O)c1	396020047	BKFCPJPAFQFLOA-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
CCOc1ccc(B(O)O)c(CCC=O)c1	396094887	KMSCWEZKQJQDRJ-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
N#CCc1cccc(CCC(=O)O)c1B(O)O	396138883	QUFUYJNHCAYTTQ-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
Cc1cccc(B(O)O)c1CCC(=O)O	396159448	ZHOOCZCYGQCVCP-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
OCc1ccc2sc(O)c(B(O)O)c2c1	396382247	SWFVVPFGZAEYRQ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H](C)OC1	401586715	TVPQNPVPXWLCNS-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CC1(CC(=O)Nc2ccnc(B(O)O)c2)CC1	405007879	NWXCWVFVGACVKY-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CSCC(=O)Nc1ccccc1B(O)O	405038239	UXDCRSBQNUBWKO-UHFFFAOYSA-N	225.078	-0.332	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CC12CCOCC2	689972183	AEWONEMDUOBBRN-ZCFIWIBFSA-N	213.237	-0.497	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	690068037	UNQHTJNRZJYBLK-UWVGGRQHSA-N	235.048	-0.660	50	10	BBGE	
N#CC1(O)CCN(CC[C@@H]2CCNC2=O)CC1	692125951	XNUGETBNCVGVGW-JTQLQIEISA-N	237.303	-0.137	50	10	BBGE	
CNNC(=O)CCN1CCSC1=O	704645205	PWHLPAOMDPNYFA-UHFFFAOYSA-N	203.267	-0.204	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H](C)[C@H](O)CO	705159980	LMIPGLAIRIYHLK-DSYKOEDSSA-N	209.673	-0.281	50	10	BBGE	
C[C@H]1COC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	705217322	NXZCLJIAYINGGV-KWQFWETISA-N	249.075	-0.413	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CN(C)C[C@H]2C1	706204618	UHAXYXRYTWULIA-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1	707091110	XBIAHYQUOPWECF-PWSUYJOCSA-N	217.077	-0.039	50	10	BBGE	
O=S(=O)(CCCl)Nc1nn[nH]n1	709813463	BZRJJTCFKBQLQK-UHFFFAOYSA-N	211.634	-0.820	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CN1S(=O)(=O)CCl	715584835	KZVHKUYAFSAZIF-UHNVWZDZSA-N	209.654	-0.009	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCS[C@@H](CO)C1	720074018	KBZFSBODOFIBHH-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@]1(C)CCCO1	755238451	TYCBTPOMESFOJU-JTQLQIEISA-N	245.279	-0.468	50	10	BBGE	
Cn1cc(C(=O)NN=C2CN3CCC2CC3)nn1	853386266	ZKELYIQSNAZSBA-UHFFFAOYSA-N	248.290	-0.374	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)N(C)C	900427417	KEGSTAPEDAPREG-BMMSZFGTSA-N	201.226	-0.774	50	10	BBGE	
CNC(=O)NNC(=O)c1cc2n(n1)CCCC2	1542262600	PUVFGLQJOMXYQY-UHFFFAOYSA-N	237.263	-0.207	50	10	BBGE	
N[C@H](CO)C(=O)N[C@H]1C[C@@H](Br)C1	1880964778	OCMJFHXPFIAGSI-NGJCXOISSA-N	237.097	-0.652	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)[C@@H](O)C1	1882906365	GYSVYTRSQPTWRO-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
O=C(Cn1cnnc1)NOCCBr	1883019319	XAIBQVONTRCHEX-UHFFFAOYSA-N	249.068	-0.279	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@H]1Cl	1883637704	ARNMJARDKMJWBG-GBNDHIKLSA-N	204.657	-0.937	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)C2COC2)C1	1884429166	QDJKQUMCSQPTIO-JGVFFNPUSA-N	218.684	-0.330	50	10	BBGE	
C#CCNC(=O)CCNC(=O)[C@@H](C)Cl	1887694095	NONIZOTUYSJSKL-SSDOTTSWSA-N	216.668	-0.131	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCS(=O)CC1	1893410842	OQMRNIBTWUYXTF-UHFFFAOYSA-N	235.692	-0.101	50	10	BBGE	
CC(CO)(CO)CNC(=O)[C@H]1C[C@H]1Cl	1893446609	PJCFLOIPOITFQN-NKWVEPMBSA-N	221.684	-0.279	50	10	BBGE	
CN1CC[C@@H](OC(F)(F)C(=O)NN)C1	1894991163	IPYQJQLERJQNJB-RXMQYKEDSA-N	209.196	-0.710	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1C[C@@H]1CF	1896795711	FQSSYHAANBJBCU-BDAKNGLRSA-N	233.287	-0.470	50	10	BBGE	
CCC(=O)N1CCc2scc(B(O)O)c2C1	1900048033	OEOWFYIFZDCFOL-UHFFFAOYSA-N	239.105	-0.277	50	10	BBGE	
CN(C(=O)c1cnsc1B(O)O)C1CCC1	1900466243	DCZSVVYUYOFEGT-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC=CCN1	1901338783	CIYVXCNQAWWRHK-MRVPVSSYSA-N	247.320	-0.783	50	10	BBGE	
CS[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903005229	DOPVIQBGFOIZME-ZCFIWIBFSA-N	244.100	-0.514	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1O[C@H]2CC[C@H]1C2	1905117835	PMUYWABWFDTCNK-XHNCKOQMSA-N	225.053	-0.762	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2CC(F)(F)C(=O)NN	1908900061	USLZLWIJMYOTIM-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
C[C@@H](CN1CCS[C@H](C)C1=O)C(=O)NN	1912261556	HYCQBJRWVKNIGX-NKWVEPMBSA-N	231.321	-0.424	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)S1(=O)=O)C(=O)NN	1912292375	HPDRJCOKQUSHIA-RNFRBKRXSA-N	235.309	-0.964	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)C[C@H]1CO	1914010994	NMCLEBSGOXBCSJ-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1CCCO1	1927915559	INVAPJOSYQZDKJ-XHNCKOQMSA-N	214.265	-0.192	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]1C1CCCC1	1928056810	LZHSZUAVUXGDKB-SFYZADRCSA-N	211.265	-0.329	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCNCC1(F)F	1928639568	CJMVXAYVMIZTIC-ZCFIWIBFSA-N	207.224	-0.176	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@H](O)CCl)C[C@@H]21	1933288994	CAUOHCTVBHDVMV-KXUCPTDWSA-N	234.727	-0.399	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C[C@H](O)C1CC1	1936079792	GUGWEVZUPQKNEL-BBBLOLIVSA-N	227.308	-0.685	50	10	BBGE	
CCO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936083595	JCYOGNRNRKRYKA-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C(=O)N1C	1936094639	OUZALRCZFXRNOS-PRJMDXOYSA-N	226.280	-0.632	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@@H]1C1CC1	1936113592	SKLWMAQBLLBGNE-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](O)[C@H]2C1)C(=O)NN	1938376703	UPFXSMVWUXOFCS-CIUDSAMLSA-N	227.308	-0.685	50	10	BBGE	
CN(C)C(=O)[C@@H]1CCN(CCCC(=O)NN)C1	1940301702	BSZHWKIVCAHUFK-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@@H]1C(N)=O	1942615841	KZMCQDLJJCRRSD-BZNPZCIMSA-N	242.323	-0.803	50	10	BBGE	
CCN(C)CCOc1ccc(B(O)O)c(F)c1	1943944175	DBGRLCVFBJWSKZ-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
CCn1ncnc1CN1CC[C@H](B(O)O)C1	1951319928	AEPRINAOMJVJHM-QMMMGPOBSA-N	224.073	-0.653	50	10	BBGE	
CC[C@@H](O)CN(C)C[C@H](C)C(=O)NN	1955925939	DROIKYSKZXPJMH-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
C[C@]1(NC(=O)C(=O)NN)C[C@H]1C(F)(F)F	1958198551	GUWGHHKLGUPIDD-CVYQJGLWSA-N	225.170	-0.567	50	10	BBGE	
CN(C)NC(=O)N[C@H]1[C@@H](C(=O)O)C1(C)C	1958817301	PWPVCUHBQWGCKE-WDSKDSINSA-N	215.253	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@](C)(C#N)C1	1961472057	IRJBZULEPAGUCY-SCZZXKLOSA-N	210.281	-0.010	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC12COC2	1961512971	MXXXRUJWJURBHH-SFYZADRCSA-N	213.281	-0.524	50	10	BBGE	
C[S@@](=O)C1CN(CCCCC(=O)NN)C1	1961567030	YJXAOXMAGYUDLZ-OAHLLOKOSA-N	233.337	-0.791	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3CCC[C@@H]32)n1	1961718823	ULJZHAVCAWSFJY-RQJHMYQMSA-N	224.094	-0.188	50	10	BBGE	
CN(C(=O)NN)[C@H]1CO[C@@]2(CCOC2)C1	1975213661	ULZZLFRJODBVFH-APPZFPTMSA-N	215.253	-0.551	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC(OC)C2)C1	1977524239	RWTLEMSBWJTONB-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CCl)CN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1	1979507605	KHYYCPGDCHZKDF-BIIVOSGPSA-N	245.710	-0.840	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@@H](CF)C1	1981250200	ULYAGBHQNGXYBG-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CSC[C@@H](C)N(C)c1ncc(B(O)O)cn1	1981408524	BNRFEEGBGFJIBY-SSDOTTSWSA-N	241.125	-0.656	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCNC(=O)C1	1987023686	YMJWLOPUJZXUMF-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
COCCOC[C@H]1CCC[C@@H](C(=O)NN)O1	1990165395	YDCCYFDOPFKPPT-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
C=CCCS(=O)(=O)N[C@H]1CCC=C1B(O)O	1991330947	NFXOYVQXWHYGGA-VIFPVBQESA-N	245.109	-0.417	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCOC[C@H]1CO	1991651556	IVMWQEPEIZPGPH-HTQZYQBOSA-N	247.678	-0.178	50	10	BBGE	
C=C(CN1CCO[C@@]2(CCOC2)C1)B(O)O	1992144532	CCKZXTDBDHUQIL-JTQLQIEISA-N	227.069	-0.954	50	10	BBGE	
OB(O)c1ccn(CCCCn2ccnc2)n1	2003630404	WRVUWLPOYVGZCB-UHFFFAOYSA-N	234.068	-0.760	50	10	BBGE	
Cc1nc(O[C@@H]2COC[C@@H]2C)ccc1B(O)O	2004925467	QSAFXQOHTQVAEE-OIBJUYFYSA-N	237.064	-0.516	50	10	BBGE	
CCCOCCOc1ncnc(C)c1B(O)O	2004934818	IUHKJKGMXIGPCO-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
COC[C@@H](C)CN(C)c1ccncc1B(O)O	2004936278	XKQXAPMJLFZJKK-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)CC(F)(F)C(=O)NN	2006199319	QXBVIXGSAQIQMV-WHUPJOBBSA-N	249.261	-0.564	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	2006202168	ZBGPVWKTLNHWFE-QGKZMRNZSA-N	239.319	-0.563	50	10	BBGE	
COc1cccc([C@@H](C)NC(=O)C(=O)NN)c1	2006786653	HXWHXPQEUOZEEP-SSDOTTSWSA-N	237.259	-0.138	50	10	BBGE	
CO[C@H]1C[C@H]1COc1cnc(C)c(B(O)O)c1	2014595536	ZPHGDWJPSHJUSA-KWQFWETISA-N	237.064	-0.516	50	10	BBGE	
C[C@]1(CCO)CCN(CCOCC(=O)NN)C1	2014778386	CRBLJQQNIIWUMU-LLVKDONJSA-N	245.323	-0.913	50	10	BBGE	
CCC1(F)CN(c2ncc(F)cc2B(O)O)C1	2014924620	NVEJUBLVPJODDG-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	2022067002	AAICYWQEXGVWOQ-USWWRNFRSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cncc(OCc2ccnnc2)c1	2026213400	ZTHUKYICPJTLOS-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
COc1nc(N2CC3(C)CC2C3)ncc1B(O)O	2052624723	HSXUDRJVQSOGCN-UHFFFAOYSA-N	249.079	-0.846	50	10	BBGE	
CCOc1cc(B(O)O)cc(F)c1OC	2060113060	CGRJDOXRQRQICV-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CCc1cc(OC)c(C#N)c(B(O)O)c1	2060263473	PODZVXYSPSNMIL-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H]2[C@H]3COC[C@H]32)c1	2068626087	FGWLEBWOZQSQMS-URLYPYJESA-N	248.087	-0.054	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](O)C1)c1ccccc1B(O)O	2079008818	NELBKERELVNZKL-RKDXNWHRSA-N	249.075	-0.990	50	10	BBGE	
O=C(NN1CCCCC1)c1ccccc1B(O)O	2079009086	DQRCPYJZPJUUAH-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(NC1(CO)CCC1)c1ccccc1B(O)O	2079009265	GCRWZAMCOPLBBN-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
C[C@H](CS[C@H]1CCNC1)C(=O)NN	2209391642	NEKONDUAMJBWBR-RQJHMYQMSA-N	203.311	-0.293	50	10	BBGE	
CN1CCC(COC(F)(F)C(=O)NN)CC1	2211272992	COSNRGJAEKJNKN-UHFFFAOYSA-N	237.250	-0.073	50	10	BBGE	
O=C1CN(C[C@H](F)[C@H]2CCOC2)CC(=O)O1	2212187624	SJCALKJEZLWFAV-YUMQZZPRSA-N	231.223	-0.254	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CCC1	2212248062	PVCXKMOEPDIEFU-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1ccnc(OC2CC(CF)C2)c1	2212608504	SVKKEGXNXOGECB-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
C[C@@H](C#N)CN(C)Cc1cccc(B(O)O)c1	2214592114	BBCBFRAJBKQQTQ-JTQLQIEISA-N	232.092	-0.042	50	10	BBGE	
COC12CC(C1)N(C[C@@H]1CC[C@@H]1C(=O)NN)C2	2215771246	GZRUWTIOXAQZBW-ZSWLNHAKSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CC1(C(=O)NN)CCC1	2216532549	PHAOUUCEAVAMJC-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(CCOCC(=O)NN)C2	2216684830	RFMOORVRDSWFHN-KOLCDFICSA-N	243.307	-0.896	50	10	BBGE	
OCCN(c1ncccc1B(O)O)C1CCC1	2217175104	DKULTLRAAPPLSH-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217176024	QLDFAJHEVYBZED-VHSXEESVSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1	2217178142	RZDSCGVENGSKLV-NQMVMOMDSA-N	233.080	-0.243	50	10	BBGE	
COCCC(C)(C)Nc1cc(B(O)O)ccn1	2217179827	OVUCHMGBYCNUKZ-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
Cc1cnc(OCCC[C@H](C)N)cc1B(O)O	2217182709	GLSZZGYDEPVWLQ-VIFPVBQESA-N	238.096	-0.424	50	10	BBGE	
OB(O)c1cccnc1NC12CCN(CC1)C2	2217185048	XSHGYOSYKGTNOH-UHFFFAOYSA-N	233.080	-0.979	50	10	BBGE	
N[C@@H](COc1ncccc1B(O)O)C(F)(F)F	2217192770	JJPISDBHPZUTJN-LURJTMIESA-N	249.985	-0.970	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Oc1cc(B(O)O)ccn1	2217193253	LNUNELUFVLOCMO-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Nc1ncccc1B(O)O	2217198479	BSTOFZGURGXKNM-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
C[C@H]1COCC[C@H]1Nc1cc(B(O)O)ccn1	2217205345	XNPXCPNDTCIFCP-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
O=C1C[C@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220061334	DJGXHFNBAUUDKR-GHMZBOCLSA-N	245.087	-0.265	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3CNC[C@H]32)c1	2220066941	UPWSBGJOXWMAIH-WCQYABFASA-N	246.119	-0.840	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	2221322320	MXFQENQZRHXKHI-USZNOCQGSA-N	249.314	-0.092	50	10	BBGE	
Cc1nc(C)c(CNc2cc(B(O)O)ccn2)[nH]1	2223638143	UZJJOSHXODSSHO-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
Cc1cnc(N2CCC[C@H](C#N)C2)cc1B(O)O	2223639191	BJCVZXLGUIYELU-SNVBAGLBSA-N	245.091	-0.190	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CCC[C@H](C2)N3)nc1	2223642638	LVFKQAZTYQJPKX-PHIMTYICSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N2CCCNC[C@H]2C)cc1B(O)O	2223643926	CCFYIBXWLLBXDF-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
C#C[C@]1(Oc2cc(B(O)O)ccn2)CCCOC1	2223655359	ZHAHSYDEYORKBI-LBPRGKRZSA-N	247.059	-0.677	50	10	BBGE	
COCCN(C[C@H](O)CCl)C[C@@H](C)O	2242089500	DUZBBNMOQAHJCG-RKDXNWHRSA-N	225.716	-0.085	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)sn1)C1CC1	2243377994	KWGQDEWDXBQGJV-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)cs1	2243385866	PVKAIBMMKYOJAY-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
Cc1nocc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243396772	QOBFDZSHBQSZMZ-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccc(B(O)O)o1	2243400353	ZTYYOEHDCQDLAR-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@@H]2C1	2243400782	HVIHUZZIHMEYKN-RNFRBKRXSA-N	221.021	-0.949	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1nncs1	2243404455	OMOCQFMWVNWGER-ZLUOBGJFSA-N	241.081	-0.422	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2243406766	FFQJBBNQZWPFHC-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
C[C@H](CO)CN(C)C(=O)C1(B(O)O)CCC1	2243411297	RBGIKQPIPNOZCN-QMMMGPOBSA-N	229.085	-0.530	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(C=CCO2)C1	2243419699	FENQMGHINYAAPD-YUMQZZPRSA-N	223.037	-0.983	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@@H]1CC)B(O)O	2243433871	RESGMSROMHYUGB-DTWKUNHWSA-N	247.125	-0.337	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243790288	NWLONWMAGIXBKW-ODHVRURNSA-N	227.069	-0.610	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cccc(F)c1=O	2243940227	XVCUQDJBDPVUAF-RNFRBKRXSA-N	225.223	-0.387	50	10	BBGE	
Cc1nc2c(s1)CN(C(=O)C(=O)NN)CC2	2244551623	IMDOYTCQZLBSMI-UHFFFAOYSA-N	240.288	-0.674	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1CC	2245122137	FMJVKQYLHMORCC-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)C1(COC[C@]23C[C@H](CO2)C3)CC1	2245240394	OACOESSZTIURJA-DKTWLAJQSA-N	226.276	-0.048	50	10	BBGE	
CC[C@H](N)COc1cc(B(O)O)c(Cl)cn1	2245913059	LNEPFIHDZXXDIK-LURJTMIESA-N	244.487	-0.469	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)C1(B(O)O)CCC1	2247731980	BOCIVOCQIRYUFZ-IUCAKERBSA-N	243.112	-0.093	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2coc(B(O)O)c2)C1	2247735341	LWBSFCQURGKORG-GVJMRKKJSA-N	241.027	-0.420	50	10	BBGE	
O=C(NCC1(F)CCC1)c1ccc(B(O)O)o1	2247740023	FEHAEQFYQZCCTJ-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
COc1ccc(N(C)C(=O)C#CB(O)O)cc1	2247743011	XPRDESAWOGNAJD-UHFFFAOYSA-N	233.032	-0.327	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1ccoc1B(O)O	2247744441	SRHLSOQVKGXYAM-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2247751692	AOUNBNFTJHINNL-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
C=CCN(C)C(=O)c1cccc(B(O)O)c1F	2247751781	BYRZHUWLXVQCMW-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
C[C@H]1CC[C@](CO)(NC(=O)C2(B(O)O)CC2)C1	2247754999	OXYLACAWPDIAKN-WPRPVWTQSA-N	241.096	-0.339	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(B(O)O)CC1)C2	2247756241	MYIRMEGRAQMYPJ-CIUDSAMLSA-N	238.096	-0.668	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2247759169	YQYUHKWVPKAURE-LLVKDONJSA-N	241.096	-0.387	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@H](C)CF)c1	2247761097	QVEGXNGPVSUBJO-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C#CC#CCNC(=O)c1cc(B(O)O)sc1C	2247794273	PBFHTZNKJXSMAC-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)C1CC(B(O)O)C1	2247796502	ADFFZAZQCISZGU-UHFFFAOYSA-N	241.096	-0.531	50	10	BBGE	
CCC[C@H](O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247796508	AFAGSUNFMVKOIO-GUBZILKMSA-N	243.112	-0.093	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797890	ODUXUMZZCPQVQQ-OPRDCNLKSA-N	240.112	-0.563	50	10	BBGE	
CN1CCC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247798966	YQYUTUHMPWMENL-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)C(=O)[C@H]1C[C@H]1B(O)O	2247807376	HSSOIAHJWABBDT-WYOJIJJFSA-N	239.080	-0.656	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC(F)(F)C1	2247846114	AEODZLNGORZRFB-UHFFFAOYSA-N	244.006	-0.824	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910058	MNHVEOFMXZTPAR-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2248585730	PTPGDCOOGPEVCC-NGJRWZKOSA-N	241.052	-0.781	50	10	BBGE	
O=C(CN1CCC(B(O)O)CC1)N1CCCC1	2249378084	KREDHQZYVRPHFH-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
CC1CCN(C(=O)c2cocc2B(O)O)CC1	2249416289	PJHNYHHMNFIZGC-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cc(B(O)O)co1	2249429505	VZNIHTWTEHALCG-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
O=C(N1CCOc2ncccc21)C1(B(O)O)CC1	2255489272	QQAYRPZPGWCLLX-UHFFFAOYSA-N	248.047	-0.186	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N=c1cco[nH]1	2255508798	DGPAAWMDCRJLBK-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671217	OAJSNRFLOJOJOY-NRPADANISA-N	246.075	-0.611	50	10	BBGE	
Cc1ccoc1CNC(=O)c1ccc(B(O)O)o1	2255674467	YMVMCOMMKBFAFH-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1ccncn1	2255679026	FDJHKXUSAAYAHV-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cc1ccnc(C(=O)N2CC(C)(C)C2)c1B(O)O	2255687782	LZKSFOLKXTUXCC-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1occc1B(O)O	2255741180	KIIKASLDZLOVNB-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cc1O	2255929995	XORSVAUCRXLINB-MADCSZMMSA-N	249.075	-0.400	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC=CCC1	2255937367	TXZAFKIWQFPMLI-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2298370086	NTRGZXHIINTMIP-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CN(C[C@H]1OCC[C@@H]1F)C(=O)[C@@H]1C[C@H]1B(O)O	2298370381	XODRLKFXLUBCGR-LURQLKTLSA-N	245.059	-0.565	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCN(C)C2)CC1	2299133682	SLXHWMCAXYPCNC-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2299282864	ISYUDZKORIIVDV-CWKFCGSDSA-N	241.052	-0.924	50	10	BBGE	
CC[C@@](C)(Cn1nc(C)n(C)c1=O)C(=O)NN	2303437950	FSWXODCTJIHENO-JTQLQIEISA-N	241.295	-0.704	50	10	BBGE	
N[C@@H]1CCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303852322	LDHSAXHQQPEABX-RKDXNWHRSA-N	240.043	-0.841	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@H](F)C1	2307400272	PEUIVNSVZUNLLA-FKQCQYRASA-N	238.027	-0.552	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]3C[C@@H]3CO2)c1	2312614768	IQOHYOYTMFPGLI-IQJOONFLSA-N	248.091	-0.402	50	10	BBGE	
COCCCNC=C(C#N)C(=O)NCCOC	2324623769	NQETXJPRVFJGAE-UHFFFAOYSA-N	241.291	-0.217	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@H](C)C(=O)N(C)C	42576105	BKMHWPOEYMPMJU-PHDIDXHHSA-N	249.698	-0.084	50	10	BBGE	
CC(C)CN(CC(N)=O)C(=O)NC(=O)CCl	42692479	APLXNKUOYPXCSQ-UHFFFAOYSA-N	249.698	-0.095	50	10	BBGE	
C[C@H](CNCCCCCO)C(=O)NN	58837509	BBLACFVWKUVCQV-MRVPVSSYSA-N	203.286	-0.635	50	10	BBGE	
O=C(CCCl)N1CCO[C@@H](CO)C1	88091711	MQYPAQKROPVYCL-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
C[C@H](CN1CCN2CCCC[C@@H]2C1)C(=O)NN	94444442	PKAXIMGJUQIZAM-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
Nc1ncn(C[C@@H](O)CCl)c2ncnc1-2	105629083	MKDLZKZXXZULAW-YFKPBYRVSA-N	227.655	-0.040	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](N2CCCC2)C1	110581775	XONADKZMWTZEFK-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)C(=O)C1=O	132587188	ICMASEHKUXPWAQ-ZCFIWIBFSA-N	215.640	-0.582	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1nc2cnccn2c1=O	132872449	QHCLJJZZENTKIG-RXMQYKEDSA-N	242.622	-0.417	50	10	BBGE	
COC[C@H](Cl)CNC(=O)[C@H]1COCCO1	137122544	PZHMBQYXKVEXEP-HTQZYQBOSA-N	237.683	-0.228	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnccn1	170770277	CPVIJDAVBWLGST-UHFFFAOYSA-N	234.137	-0.200	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)CSC	179413633	OMENVWXYPIGURI-UHFFFAOYSA-N	220.294	-0.078	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)CCN1	204254696	PDAILVSMJJMCMI-JTQLQIEISA-N	234.108	-0.840	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](CC(=O)NN)C1	216920684	FVZZSBGYXGITKK-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227214593	GEYBRCBTQCXVQQ-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CN(C)CC(=O)c1cccc(B(O)O)c1	238291084	BNIYJLLNWCOJAR-UHFFFAOYSA-N	207.038	-0.889	50	10	BBGE	
Cc1c(B(O)O)ccnc1Br	238516479	XNTNMGLKFYRHFB-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
O=C(CCl)OC[C@@H]1CN2C(=O)C[C@H]2O1	238534942	KCGJRNLZPIQVQE-CAHLUQPWSA-N	219.624	-0.274	50	10	BBGE	
CN(CCOCCO)S(=O)(=O)CCCl	300945910	FGZQJFDHDUDLJP-UHFFFAOYSA-N	245.728	-0.504	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CCC(=O)NN	306903096	IKAGWFNBEQYUJC-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
CC[C@@H](OC(COC)COC)C(=O)NN	308776944	HSQOSAIXUCGHEV-MRVPVSSYSA-N	220.269	-0.567	50	10	BBGE	
COC1(C)CN(Cc2ccc(C)c(B(O)O)c2)C1	313736182	JKSHOURRPZZRAN-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC[C@@](O)(C(N)=O)C1	380591672	SHAHVWAGOAVZLU-JTQLQIEISA-N	248.710	-0.300	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1[N+](=O)[O-]	396058927	XEJFLZIFRFGCMA-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](CO)C1	398786205	DWQOCTSYKDBDGW-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CCCO1	405001663	NFELSWIBVPNYCT-SNVBAGLBSA-N	235.048	-0.516	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@]12COC[C@H]1C2	689155834	MNEOXYMYHPAYCF-PELKAZGASA-N	247.059	-0.659	50	10	BBGE	
COc1cc(C)nc(Cn2ccc(B(O)O)n2)c1	694274770	CZGGMJLLYOARBH-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
CO[C@H](Cn1cc(B(O)O)cn1)C(C)C	694529985	AKWHGGBGLZVWSA-SECBINFHSA-N	212.058	-0.766	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299110	BZLZQMXQYSPUDY-GHMZBOCLSA-N	240.351	-0.219	50	10	BBGE	
CCOC(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703464543	FSLMBIGKTWNSPE-BQBZGAKWSA-N	227.216	-0.534	50	10	BBGE	
NNC(=O)c1ncc(CN2CC[C@H](N)C2)s1	711157267	GVPXZUDOZLLFFW-LURJTMIESA-N	241.320	-0.720	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893056	PWHGENLHFZGVNM-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)CCO1	720469016	AJTRDPLEFNINLN-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@H]1COC[C@H]1O	725628250	WGSWLYSCVVFXDP-DSYKOEDSSA-N	207.657	-0.168	50	10	BBGE	
CCN1CC(CN(C)C[C@@H](C)C(=O)NN)C1	822036449	FJBIJODCNMGDII-SECBINFHSA-N	228.340	-0.504	50	10	BBGE	
Cn1ncnc1C=NNC(=O)[C@]1(C)CCCO1	842536585	UIUKEKNRJLUCQB-JTQLQIEISA-N	237.263	-0.166	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1C	863151242	IZNUUPCTRVXUJW-FXQIFTODSA-N	239.275	-0.208	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNc1cnccn1	867494395	YRUVNKLHCKRPJW-SECBINFHSA-N	249.274	-0.069	50	10	BBGE	
O=C(CBr)NC[C@@H](O)CF	1144200021	JUAFYEDNRHLBOZ-BYPYZUCNSA-N	214.034	-0.172	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](O)C2)cn1	1294476600	ZFTAMZLSUBFENV-FGUAACIASA-N	246.270	-0.080	50	10	BBGE	
C=CCN(C)C(=O)c1cccc(B(O)O)c1	1448024321	OPRLYESNTZDLAM-UHFFFAOYSA-N	219.049	-0.376	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)c1cccnn1	1558130481	BVLLEYKFIUXHFK-ZETCQYMHSA-N	233.231	-0.213	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ccnnc1	1570430726	QMBCTDYCQGZSRW-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
N[C@@H](CO)C(=O)N(CCCl)CCCl	1866323632	LSPCVSHGBNRSGS-LURJTMIESA-N	229.107	-0.388	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](NCCF)C1	1880702897	KIWOACFDQFJDNZ-PHDIDXHHSA-N	215.677	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CCN1	1883626889	MTXMYQRRKAXKDA-ZCFIWIBFSA-N	202.641	-0.214	50	10	BBGE	
O=C1C[C@H](NC(=O)OCCl)C(=O)N1	1884195647	KMIKZVIECXRQCJ-VKHMYHEASA-N	206.585	-0.676	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2NC(=O)O[C@H]2C1	1884553577	JVHSYQUSLOZWLB-SRQIZXRXSA-N	218.640	-0.067	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2CS(=O)(=O)[C@H]2C1	1887084480	RCISUVXNSIRVFH-FXQIFTODSA-N	234.708	-0.154	50	10	BBGE	
Cc1cc(B(O)O)sc1CNC(=O)F	1887173510	NIFOUTJOQGHFJO-UHFFFAOYSA-N	217.030	-0.085	50	10	BBGE	
COC(=O)c1cc(N)cc(B(O)O)c1C	1887520222	LQRVBQSDPLYJOJ-UHFFFAOYSA-N	209.010	-0.956	50	10	BBGE	
CC[C@@H](S)C(=O)NN(C)S(C)(=O)=O	1888572068	PJWVDKAFOWYXCD-RXMQYKEDSA-N	226.323	-0.383	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1O)[C@H]1C[C@H]1Cl	1893462016	VHNJHKXOYCNJGR-OSMVPFSASA-N	218.684	-0.547	50	10	BBGE	
O=C(N[C@]1(CO)C[C@H](O)C1)[C@H]1C[C@H]1Cl	1893763365	ZOLGWPIPASMODE-XZMZPDFPSA-N	219.668	-0.384	50	10	BBGE	
CC[S@](C)(=O)=NC[C@@H]1CC[C@H](C(=O)NN)O1	1896175366	HKCYWGKEOGOOLW-DELOJEAUSA-N	249.336	-0.358	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC=CC[C@@H]21	1897042467	XUPFRNPKCXETEN-UWVGGRQHSA-N	223.276	-0.196	50	10	BBGE	
CC(C)=CC[C@H](N)C(=O)NN(C)S(C)(=O)=O	1901338739	BSYFGGMCKFMNGY-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC12CC(CO)C2	1905912243	MBUJTVZJIJTWIQ-MBPTXSFVSA-N	239.319	-0.541	50	10	BBGE	
CC(C)(CCN1CC[C@@H]2C[C@]2(O)C1)C(=O)NN	1906991788	ZTZVQRZSODMDKS-SKDRFNHKSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)COCCN1CC2(C1)CC2(F)F	1914534889	QFWXOFWQDKHYQX-UHFFFAOYSA-N	235.234	-0.666	50	10	BBGE	
CN(C)CC[C@@H](N)C(=O)N1CC=C(C#N)CC1	1917109800	OWFYWKBNBXIRMM-LLVKDONJSA-N	236.319	-0.052	50	10	BBGE	
CCCC(=O)NNC(=O)CC1OCCO1	1923504261	BJJJYCBHJHRGBA-UHFFFAOYSA-N	216.237	-0.303	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1CN=CN1	1923932115	GIQUWGNWRHZUNG-BYPYZUCNSA-N	210.064	-0.094	50	10	BBGE	
NNC(=O)C(=O)NCCC1CC(C(F)F)C1	1925164724	MNMJQQWLWRXBDH-UHFFFAOYSA-N	235.234	-0.226	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(C(F)F)C1	1927909131	VDXBKXISLCPTME-VDTYLAMSSA-N	219.235	-0.191	50	10	BBGE	
CC(C)(CN1C[C@H](O)[C@@H](F)C1)C(=O)NN	1929911198	SSQUVOSOUOIYLA-BQBZGAKWSA-N	219.260	-0.983	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@H]1C[C@H]1C(=O)NN	1941085140	BUXZJFKCNXBBPY-RKDXNWHRSA-N	242.323	-0.944	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H](CO)C1	1941095416	WYOVVHUZWANEQZ-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CCON(C)CCOc1ccc(B(O)O)cc1	1942616900	ULDONEKLJACDHU-UHFFFAOYSA-N	239.080	-0.372	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CCC(O)(C#N)CC1	1946111717	ZBSWUZCAQZWWHG-JTQLQIEISA-N	237.303	-0.042	50	10	BBGE	
NNC(=O)N1CCC[C@@H](OCCO)C1	1956761020	IHQNHKAAPJDNQV-SSDOTTSWSA-N	203.242	-0.957	50	10	BBGE	
C[C@]1(C(F)F)CCN(CC(=O)NN)C1	1957254151	SWIFUZHBTBHCQZ-QMMMGPOBSA-N	207.224	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N(CCC#N)CC1CC1	1961233806	NXZYANKSJIDJHW-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H]2C[C@H]21	1961509820	VZPASGRSMVVTCO-KDXUFGMBSA-N	211.265	-0.915	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	1974556749	LEZRWYJLDACIEF-BWZBUEFSSA-N	219.260	-0.983	50	10	BBGE	
CCCN(C[C@@H](O)CCl)[C@@H]1CC(=O)NC1=O	1981041240	NGXOTFCTRINEDL-JGVFFNPUSA-N	248.710	-0.287	50	10	BBGE	
Cc1cn(-c2nccc(C)c2B(O)O)cn1	1981465814	RCYQHJRXSFRSNY-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3[C@@H](C2)C3(F)F)n1	1981472166	OFVDECXKXUJCFW-RFZPGFLSSA-N	246.047	-0.476	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCC[C@H]1CO	1981555461	UHJPTUKOWGFZGQ-UTLUCORTSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCCN1CCCC1	1982848551	KOKCNCIBRYHYCB-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986732680	UDDXMUCJSIVGOU-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](CN(C)[C@@H](COC)C(=O)NN)OC	1987959752	XIBGOAZWSWBRNA-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
Cn1nnnc1N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl	1988210962	VYFASZXACRGBKK-JIGDXULJSA-N	243.698	-0.100	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1CC(F)C1	1990772153	GTBGPWRORCSTEW-UHFFFAOYSA-N	231.271	-0.166	50	10	BBGE	
O=C(NCC(=O)N1CCNCC1)[C@@H]1C[C@@H]1Cl	1991680895	VGGXHEYHIBNWHP-SFYZADRCSA-N	245.710	-0.838	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NCC#CB(O)O	1992138492	JCWGJALTPLMECN-RCOVLWMOSA-N	231.007	-0.591	50	10	BBGE	
C=C(CN(C)Cc1nccnc1C)B(O)O	1992145142	IPRZGYZFJJZXJQ-UHFFFAOYSA-N	221.069	-0.215	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCOCCO1	1992315467	ILQOJIZBGAXLQA-VIFPVBQESA-N	231.296	-0.345	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]1C1CCC1	1992920034	SCGFLCIUNWDEMS-UWVGGRQHSA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1C[C@@H](OCCOCC(=O)NN)CCO1	1994677548	NODOXZMRIRYMGO-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]2COC[C@H](C2)C1	1995154687	YGBFODOAMJXERR-JIGDXULJSA-N	243.332	-0.087	50	10	BBGE	
CCN(CC)C(=O)Nc1ccc(B(O)O)cn1	1996647985	UMPAXPNUWPDRIV-UHFFFAOYSA-N	237.068	-0.365	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1[C@H]2CC[C@H]21	1997530194	QRIJDUMVCTXEDS-MTBHXBHISA-N	232.048	-0.644	50	10	BBGE	
Cc1noc(CN(C)CC(F)(F)C(=O)NN)n1	1997733510	NPINYUNBPHJGOZ-UHFFFAOYSA-N	249.221	-0.565	50	10	BBGE	
CCN(Cc1nc(C)no1)[C@H](C)CC(=O)NN	1997739276	AMUKUBSYSGZSCO-SSDOTTSWSA-N	241.295	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](OCCO)C1	2001032260	VTMTVLUKKMZOKI-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@H](O)C[C@H]21	2001967677	RKNXQAFTAYBYGU-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@H]2C[C@@H]2C1	2004935302	MWSNKILMPQHYJZ-DJLDLDEBSA-N	234.064	-0.276	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@@H](C(=O)NN)C1	2010835709	RIDKVMFLECQUMU-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1occc1C(=O)NN	2011156701	TUKGVBBECYKAHE-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)C(F)(F)OC1CC(n2cnnc2)C1	2012099594	MHYBJWHDMRUWSN-UHFFFAOYSA-N	247.205	-0.419	50	10	BBGE	
CCNC(=O)NCCc1ccccc1B(O)O	2014356244	IJEDNOYESWPJMZ-UHFFFAOYSA-N	236.080	-0.772	50	10	BBGE	
CC[C@@H](CN(C)c1ncncc1B(O)O)OC	2014865837	NGPTUAZCAIRPRG-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
CON(CC(C)C)c1ncc(F)cc1B(O)O	2014920775	WVBDAGSCYZOQFJ-UHFFFAOYSA-N	242.059	-0.076	50	10	BBGE	
CN1CC(COCc2ccc(B(O)O)cc2)C1	2022713219	VYVALERPXRMWJT-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H](O)C2)nc1	2046611813	PAPADOZVRXWUEA-NSHDSACASA-N	248.286	-0.582	50	10	BBGE	
Cc1nc(C)n(Cc2c(C(=O)NN)cnn2C)n1	2050241519	IYIDIVQOFMEUHC-UHFFFAOYSA-N	249.278	-0.720	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC23COC3)n1	2051854114	PMXFPSAWCABCFF-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
NCc1cccc(C(F)(F)F)c1B(O)O	2059116323	DQANPTILNYZYLL-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(C=O)c1B(O)O	2060145664	FYCHBPBYZZKXHN-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
Cc1cc(C=O)c([N+](=O)[O-])cc1B(O)O	2060282121	DBRLPDMSEVLHDN-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(CC(=O)NN)cc1	2062245023	MBEZEQKVOGTKKN-SKDRFNHKSA-N	249.314	-0.216	50	10	BBGE	
C[C@H]1CCN1Cc1nscc1B(O)O	2209704101	ZFIUKCBZLQAFMJ-LURJTMIESA-N	212.083	-0.583	50	10	BBGE	
NCCNCCSC[C@H]1CC[C@H]1C(=O)NN	2211837958	ANRDBLDGWMGWSV-RKDXNWHRSA-N	246.380	-0.716	50	10	BBGE	
Cc1cnc(-n2cc(Cl)cn2)cc1B(O)O	2212594501	HRJCGPSMPVLUJK-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CC(F)(F)CCN=c1ccc(B(O)O)c[nH]1	2212610318	GTPJOBSIHUFGAJ-UHFFFAOYSA-N	230.023	-0.360	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(CC#N)CC1	2215513051	RGVFGAGUNRMUFT-SNVBAGLBSA-N	240.307	-0.383	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H]2CC[C@@H]2C(=O)NN)c1	2215773415	SKIKZIQNMVIBSR-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
NNC(=O)C1(CN2CC([C@@H](F)CO)C2)CCC1	2216527908	IYGOYOJDQRVTRM-VIFPVBQESA-N	245.298	-0.591	50	10	BBGE	
C[C@@]1(CO)CCN1CC1(C(=O)NN)CCCC1	2216869239	AZBBKJYECUWUBD-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C=C[C@H]2C3)c1F	2217179894	CTNRJGKYHREOHO-YUMQZZPRSA-N	234.039	-0.335	50	10	BBGE	
C=C(CCN)COc1cc(B(O)O)c(C)cn1	2217179993	DFTRQSVCHMOSNP-UHFFFAOYSA-N	236.080	-0.646	50	10	BBGE	
C#C[C@H](Nc1nccc(B(O)O)c1F)C(C)C	2217180346	SFRXSMKJKOTMMU-VIFPVBQESA-N	236.055	-0.030	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@H](O)C2)cc1B(O)O	2217181493	QLWQIHITLMVJON-KYZUINATSA-N	236.080	-0.747	50	10	BBGE	
CCC1(CNc2ccc(B(O)O)cn2)CNC1	2217183831	OOWOYPRHPJPHTO-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
C#C[C@H](Nc1nccc(B(O)O)c1F)C1CC1	2217185337	VPJWZHMHRKYMNT-VIFPVBQESA-N	234.039	-0.276	50	10	BBGE	
C[C@H]1NCCC[C@H]1Nc1ncccc1B(O)O	2217200956	BQCZVKXUFYMMNC-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1B(O)O	2220582414	GMCDZSZMNGUNFM-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
CN1CC2(CCN2Cc2ccc(B(O)O)cc2)C1	2222717670	HMQOYBWVUUBHFB-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
C[C@@H]1CCCN(c2ncccc2B(O)O)[C@H]1CN	2223665979	JLKZFLIQBOBBIX-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCO[C@H]1C1CC1	2223666716	KZAGKKJBKMOMNV-QWRGUYRKSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3CNC[C@H]2C3)c1	2223668844	CAHUJICLRCKHQQ-IQJOONFLSA-N	247.107	-0.829	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(c2cc(B(O)O)ccn2)C1	2223671826	QGASEUYKDSISJA-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
C#C[C@@H]1CCCCN(c2ncc(B(O)O)cn2)C1	2223677167	KMQMLOVJHBXKKJ-SNVBAGLBSA-N	245.091	-0.604	50	10	BBGE	
CC(C)[S@@](C)(=O)=NC(=O)C#CB(O)O	2241479058	QQCJIEDQHOPGCP-CQSZACIVSA-N	217.055	-0.965	50	10	BBGE	
CCCCNC(=O)c1ccncc1B(O)O	2243349741	PWSNNIDHJBNSFG-UHFFFAOYSA-N	222.053	-0.709	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C#CB(O)O)o1	2243356021	AFPRXCBXKJOHOF-UHFFFAOYSA-N	221.021	-0.438	50	10	BBGE	
CC[C@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381439	GHGJUWZHUKKSAR-XKSSXDPKSA-N	229.085	-0.483	50	10	BBGE	
CC(C)CONC(=O)c1cc(B(O)O)cs1	2243386265	XIXNXFAUEVCWGQ-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
C[C@@H]1CCC(F)(F)CN1C(=O)C#CB(O)O	2243398886	IOMDUANXLHOWLB-SSDOTTSWSA-N	231.007	-0.352	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccoc1B(O)O	2243401573	TZHXBRUDDXUINX-ZETCQYMHSA-N	221.021	-0.592	50	10	BBGE	
O=C(Nc1csnn1)c1coc(B(O)O)c1	2243409045	AGFKTSPAHYWNFZ-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1CC1	2243409432	HXINHMIHUQTQGX-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
C=CCC1(O)CN(C(=O)C2(B(O)O)CC2)C1	2243411187	PMMMCGFEYWERPU-UHFFFAOYSA-N	225.053	-0.857	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H]1COC2	2243427074	PVSRYAVJLLKFQM-JBDRJPRFSA-N	225.053	-0.761	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC[C@H]1CC)B(O)O	2243433870	RESGMSROMHYUGB-BDAKNGLRSA-N	247.125	-0.337	50	10	BBGE	
Cc1cc(SCC2COC2)ncc1B(O)O	2244516949	SAYOWWGZBOYQSI-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
COc1nn(C)cc1[C@H]1C(=O)NC(=O)[C@@H]1Cl	2244592154	SRZRAAYTWNILNG-PHDIDXHHSA-N	243.650	-0.224	50	10	BBGE	
CCC(CC)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247746526	AHRWOBHRWXZKPZ-UHFFFAOYSA-N	238.096	-0.045	50	10	BBGE	
CO[C@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)C1	2247746584	AZOJKRBEABLPSU-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
CC(F)(F)CNC(=O)c1ncccc1B(O)O	2247768851	ABRUVEOHUIPBFZ-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247780827	FRPGNSNMZAQXAN-SSDOTTSWSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCCC[C@H]1CO	2247799585	FUUKCCAFAVBBFR-IVZWLZJFSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)C2O	2247799661	GRLRSLGADJMCJG-KFNHPLCZSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCOCC1	2247807928	SHXJPIOYSXSGJV-HGNGGELXSA-N	241.096	-0.219	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247809105	NVRSSFTWSOPRJY-NFTFJBJSSA-N	243.112	-0.237	50	10	BBGE	
C=CCC1(NC(=O)c2ccoc2B(O)O)CC1	2247846618	JOPHZIRJEZKBGG-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CCCN(CCCO)C(=O)C1CC(B(O)O)C1	2247860489	XJDWTXJJKSRDOE-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
CCC(F)(F)C(=O)Nc1cc(B(O)O)ccn1	2248415486	AYBVTDVZZVTUMB-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]2C[C@@H]21	2249416963	ZDKLKHHSEIQBRX-XCBNKYQSSA-N	235.048	-0.416	50	10	BBGE	
O=C(Nc1ccnnc1)c1cocc1B(O)O	2249423375	JIHUKOULSRMFME-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
N[C@@H]1CC[C@H]1CNc1nccc(B(O)O)c1F	2250300734	DCARUQDOLPDGNF-POYBYMJQSA-N	239.059	-0.950	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2251597519	KSQOLPDBXKCYHX-BDAKNGLRSA-N	235.052	-0.702	50	10	BBGE	
Cn1ncc2cc(NC(=O)C#CB(O)O)ccc21	2255468948	IYINGVQGCPPQKU-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1occc1B(O)O	2255477698	DFAQSHSVUMEXNB-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1ccccc1O)c1occc1B(O)O	2255488962	MKDGWLSUJWICRN-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(N[C@@H](CO)c1ccccc1)[C@@H]1C[C@@H]1B(O)O	2255569703	YLAMOEUECHILBR-VWYCJHECSA-N	249.075	-0.301	50	10	BBGE	
C[C@@H](O)C(=O)N1CCCc2c(B(O)O)cccc21	2256599759	YITABRSWAHYDJX-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2[C@H](C[C@H]2O)C1	2297960969	FWJMJHFIGXYNAU-OGBGREFGSA-N	239.319	-0.685	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1OC[C@@H]2CCC[C@H]12	2297979908	RZJZFPZDRURTIE-GUBZILKMSA-N	239.080	-0.514	50	10	BBGE	
COC[C@@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)OC	2298376471	XXSOJUMCGNEVGF-NQMVMOMDSA-N	245.084	-0.983	50	10	BBGE	
CN1CCN(CCC[C@@H]2C[C@@H]2C(=O)NN)CC1	2300370891	NLXAJWVKOKSHNT-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12C[C@H](CCO1)C2	2303104403	KCOCUUHXZOJCHO-ATZCPNFKSA-N	239.080	-0.369	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC(=O)NCC2CC2)C1	2303134247	PCQXRJOBIFFODA-LLVKDONJSA-N	240.112	-0.549	50	10	BBGE	
OB(O)c1cc(N2CCC[C@H]3C[C@@H]32)ncc1F	2303847609	LIHGTSYXBHUFFD-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
CC[C@H](N)CCOc1cc(B(O)O)c(F)cn1	2303849061	GHFCEAZFBGVONU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2312613295	FLUSRDIQBNVSRV-INTQDDNPSA-N	247.107	-0.923	50	10	BBGE	
COCC(=O)N/N=C/c1cn(C)nc1C	20828427	DREAHENRRJYFJN-ONNFQVAWSA-N	210.237	-0.175	50	10	BBGE	
CCN1CCN(CCCl)C(=O)C1=O	36883095	USXYQRQQEIBIIK-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
CNC[C@H]1CCCCN1CC(=O)NNC(C)=O	63168464	RKAAMRCYMUTDPV-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COCC2CC2)O1	82464657	VEGUHRHOFZERIZ-IUCAKERBSA-N	214.265	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@H](C#N)C1	86656739	SHMLKQKXNODTFR-DJLDLDEBSA-N	226.280	-0.775	50	10	BBGE	
COCCN(CCO)C[C@H](O)CCl	124049011	LVDHDBNUKHDPKK-MRVPVSSYSA-N	211.689	-0.473	50	10	BBGE	
COCCOCCO[C@H](C(=O)NN)C(C)C	125984201	GLGXTIKTFQSDNG-VIFPVBQESA-N	234.296	-0.320	50	10	BBGE	
NC(=O)OCCNC(=O)CBr	135196560	PXLANLQMSODXFL-UHFFFAOYSA-N	225.042	-0.407	50	10	BBGE	
C[C@@]1(O)CCCN(CCCC(=O)NN)C1	157538838	OKIZQFGVKIHAMD-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
C[C@H](CO)SCc1cc(C(=O)NN)no1	162817266	ZVXLESGZCQIMIN-RXMQYKEDSA-N	231.277	-0.108	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CN)C1	211882849	QVDNAWKJKHNCAJ-RKDXNWHRSA-N	214.313	-0.574	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](CO)OC[C@@H]1C	221308402	CIRAZEUGWCEXMM-QEYWKRMJSA-N	245.323	-0.918	50	10	BBGE	
CC[C@H](OCCOCCCOC)C(=O)NN	232205963	COMFAURKERNUQW-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCCO1)C(=O)NN	232417506	GQCBOOSMERLADX-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCOC1)C(=O)NN	232418342	YGOFUBILNBBAMT-HTQZYQBOSA-N	218.253	-0.956	50	10	BBGE	
NCc1ncc(C(F)(F)F)cc1B(O)O	238596351	NGFSCOZFFVSLFN-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2c(c1)CCO2	259023858	QFGWNPGWHXWCTK-SECBINFHSA-N	207.233	-0.389	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@](C)(OC)C1	300303116	IMCQENOTJJRYSQ-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	300979773	UCEFAHCQZSGDSX-WFADCGHZSA-N	225.292	-0.933	50	10	BBGE	
O=S1(=O)C[C@H]2C[C@H]1CN2C[C@H](O)CCl	306335223	SPBMKNGJXHMREB-PRJMDXOYSA-N	239.724	-0.543	50	10	BBGE	
O=C1N[C@H]2[C@@H](Br)C[C@@H]1[C@H]2O	307331163	ZBBRHTADBLAAFF-MGCNEYSASA-N	206.039	-0.371	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(CCCl)C1	307521123	SWZMCLIFJHLGKL-QMMMGPOBSA-N	206.673	-0.463	50	10	BBGE	
COC[C@H](NCC(=O)NNC(C)=O)C1CC1	309447786	KIJMJUVGFKCJEP-VIFPVBQESA-N	229.280	-0.832	50	10	BBGE	
COC[C@@]1(C)CCN([C@H](C)C(=O)NN)C1	381400524	VDGXBDMWDBAXKU-SCZZXKLOSA-N	215.297	-0.277	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]2NCNC(=O)[C@@H]2C[C@H]1Cl	389673088	YDUGXYUUBQDSDD-GBNDHIKLSA-N	232.667	-0.250	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CCOC[C@@H]1C	390404167	AZSSGXQYOBCZBX-IONNQARKSA-N	229.280	-0.832	50	10	BBGE	
Cc1nncn1CCNC(=O)NC(=O)CCl	390609418	HXECVFIISIEMES-UHFFFAOYSA-N	245.670	-0.349	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)c(CO)c1	396051290	GPYZOGMWIUDUQO-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
CNC(=O)NCCNS(=O)(=O)CCCl	397461022	MLSIQVBDURGAFD-UHFFFAOYSA-N	243.716	-0.926	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398654796	BSZHTDGQCGDJRH-JTQLQIEISA-N	240.351	-0.362	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H](C)C[S@](C)=O	399996820	XALBUBNHRLAIPA-DRTKUVKGSA-N	249.380	-0.300	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ccon1	405034488	QNANUWPVIIEDGF-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2cccc(F)n2)CO1	495990722	QSGAIVLCEBBRMM-YFKPBYRVSA-N	240.194	-0.228	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1CC(=O)NN	688752372	DOKXQXCZUUKLSO-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CO[C@H](C2CC2)C1	691781239	UIZWOMUHRWIPFV-JEZHCXPESA-N	227.308	-0.136	50	10	BBGE	
CCNS(=O)(=O)N1CCC(O)(C#N)CC1	692125093	ZLXJWYUMFDIPNK-UHFFFAOYSA-N	233.293	-0.809	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)[C@@H](CO)C1	692897618	YALNJZVNUQNZHR-PHDIDXHHSA-N	209.629	-0.396	50	10	BBGE	
CO[C@H]1CCC[C@@H](n2ccc(B(O)O)n2)C1	694274826	DVEUMQVKBZVCSL-BDAKNGLRSA-N	224.069	-0.307	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N1CC(=O)OC(=O)C1	699871798	CSSNVKWLSIPZDF-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCCC1(F)F	702017779	PTJJOHLYNYGNGY-YFKPBYRVSA-N	206.985	-0.450	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)C(=O)NN)OC1	711348922	DPMDWPRZPFZFBE-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CCN(C)C(=O)N1CCc2c(B(O)O)cccc21	712146251	MRVKIVRRJVMOEK-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](CO)CN(C)C	716787791	WSXYNOFSJKNDRU-SFYZADRCSA-N	222.716	-0.100	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](C)CC1	720478707	ZLTSUWUUHUTECG-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@]1(CO)CCCCN1CCCC(=O)NN	723023217	OAZJQEQZVAVOTB-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H](C)Cl)C[C@@H]1O	725558932	WDRLIINWLUWPMO-ACZMJKKPSA-N	207.657	-0.168	50	10	BBGE	
CC(C)C(=O)NNC(=O)NCc1ccn(C)n1	765766108	DPNAMMPUFKNPOK-UHFFFAOYSA-N	239.279	-0.094	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC#N)ccc1=O	1157844998	PXNYNLQGZBRQSZ-UHFFFAOYSA-N	234.215	-0.940	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc(O)nn1	1161391612	LKGPTXGKCJOQJK-UHFFFAOYSA-N	235.207	-0.932	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cccc(O)n1	1179588913	RFKDXXUWWIVSNZ-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
O=C(CCc1cnn[nH]1)NNc1ccncn1	1298154653	AGIXAJUQPOZCIQ-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc(O)cn1	1299922741	CVXLLIWWHSXGRF-ZETCQYMHSA-N	225.248	-0.255	50	10	BBGE	
Cn1nncc1NNC(=O)CCc1cncnc1	1306848908	YXTDBXYURYZRNF-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
NC(=O)CCCCC(=O)NN=c1cc[nH]cc1	1320494403	OOVUWQCIQLZBOE-UHFFFAOYSA-N	236.275	-0.008	50	10	BBGE	
C=C[C@H](C)NC(=O)NNC(=O)c1cn(C)nn1	1328411649	FXDFAIQFEBNUFW-LURJTMIESA-N	238.251	-0.666	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNc1nc[nH]n1	1472574190	OPTGKTOEIHJPIB-UHFFFAOYSA-N	207.197	-0.786	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1ccncc1	1540409825	SJRIQLUYUCROTJ-MRVPVSSYSA-N	221.216	-0.611	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CC[C@@H](N)C(=O)O	1866018177	VPZCRJPPHONPNW-PHDIDXHHSA-N	222.672	-0.078	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1Br	1877411625	MVXPVNGLKAUBJL-RITPCOANSA-N	249.108	-0.026	50	10	BBGE	
OC[C@H](O)CNC1CC(Br)C1	1880297515	PUPRJUAIIZKPTL-KPGICGJXSA-N	224.098	-0.145	50	10	BBGE	
N#CCNC(=O)CNC[C@@H]1C[C@@H]1Br	1883528848	CLSYUKHZJRRAKW-BQBZGAKWSA-N	246.108	-0.001	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](N)[C@H]1C[C@H]1Cl	1883645535	PRNBSOSMJDMCAH-XVMARJQXSA-N	226.729	-0.168	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1CNCCO1	1884412274	NYQCYGGHBJWBLN-KAVNDROISA-N	218.684	-0.139	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	1887704824	RDNSRVNKHWBQNL-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
COC1CN(CCNS(=O)(=O)CCl)C1	1888896476	ZGCBPGHTLRCVDY-UHFFFAOYSA-N	242.728	-0.567	50	10	BBGE	
C[C@H](O)CCN1CC[C@](C)(B(O)O)C1	1891490764	FWKOYYDNIKCNBO-IUCAKERBSA-N	201.075	-0.304	50	10	BBGE	
C[C@H](CN(C)C)N1CC[C@@H](B(O)O)C1	1891491775	KTWSPEJTKLLNNV-RKDXNWHRSA-N	200.091	-0.515	50	10	BBGE	
CC[C@](C)(CN(C)CCO)C(=O)NN	1891956613	RDAVCVCVHOCKNL-SECBINFHSA-N	203.286	-0.683	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@@]1(O)CCNC1	1893109243	XXBKXIPJGZTBBI-LKEWCRSYSA-N	218.684	-0.546	50	10	BBGE	
C[C@H]1SCCC[C@H]1NC(=O)C(=O)NN	1893762335	QUPVYSFZAZURFW-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]2C[C@@H]2CO1	1894116872	VGJLARFXFLTXPL-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1C[C@H]1CF	1896796521	FQSSYHAANBJBCU-IUCAKERBSA-N	233.287	-0.470	50	10	BBGE	
CN(C[C@@H]1COCC1(C)C)C(=O)C(=O)NN	1901069545	KQDZXSANOZPNEB-SSDOTTSWSA-N	229.280	-0.893	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CCNC1	1901341622	XTMFTONYUWUADK-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@H]1N)S(=O)(=O)C1CCC1	1901359392	KRMDFWMQSMJRKC-SFYZADRCSA-N	247.320	-0.821	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901377503	PCTFQOIBANGJJC-SFYZADRCSA-N	249.336	-0.845	50	10	BBGE	
CNNC(=O)[C@]12CO[C@](COC)(C1)C2	1905552968	NNGREDOIOIJYRQ-KYZUINATSA-N	200.238	-0.567	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)CCC1=O	1914270900	BUGBWJGZLXOLTI-MRVPVSSYSA-N	229.280	-0.870	50	10	BBGE	
NNC(=O)CCCN1CC[C@@]12CCOC2	1915573636	RXLMBLLXAYYDPZ-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
CC(C)CCCN(C)C(=O)C(=O)NN	1916276680	UWXCZOOJUHZGOZ-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
CC(C)C[C@H](SCCNCCN)C(=O)NN	1923485228	KNRLWOSHVAPKTM-VIFPVBQESA-N	248.396	-0.328	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]1CO	1927918292	QVMGKMXQYBKHTI-IWSPIJDZSA-N	213.281	-0.931	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2cn(C)nn2)C1	1928754962	HDJYQZHAHGEPQJ-RKDXNWHRSA-N	229.715	-0.174	50	10	BBGE	
CCc1nc(C(=O)NNCCO)cs1	1929838715	RRFNOJOIUVYCPL-UHFFFAOYSA-N	215.278	-0.068	50	10	BBGE	
NNC(=O)CCCN1CC[C@]2(CCO2)C1	1932812856	UGTZBOXVOJBBAL-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)[C@@H](C)CO1	1935943386	CSMCQSUKMPNYLU-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
COC[C@@H](Cl)CN(C)C(=O)Cn1cncn1	1937141725	XAEHEKSVVAGHJT-QMMMGPOBSA-N	246.698	-0.010	50	10	BBGE	
NNC(=O)c1cncc(CN2CCC2=O)c1	1937411120	ZCXJTRKGZZIMGZ-UHFFFAOYSA-N	220.232	-0.583	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1[C@H](CO)C2)C(=O)NN	1939966986	IXILWBJLUUIPFQ-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCC2(CCC2)O1	1940231075	XSOYSAGOOYPMCG-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
CC(C)(COCCO[C@@H]1CCOC1)C(=O)NN	1940244600	FROLXTPGTLUQBS-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COC[C@@H]2C1	1940890477	GEJPTIMAIZWSCF-YUMQZZPRSA-N	249.261	-0.420	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1CO	1941074041	OPWJREWDELHUHJ-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
CN(Cc1nccn1C)C[C@@H]1C[C@H]1C(=O)NN	1941084483	XYRPZDJDXMQKSJ-DTWKUNHWSA-N	237.307	-0.522	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C(C)=O)CC1	1941988649	KGHBMUSEZWBXNL-UHFFFAOYSA-N	241.291	-0.545	50	10	BBGE	
COC[C@@](C)(CO)N(C)CC1(C(=O)NN)CC1	1945882163	CRSTVIMOXDFAQJ-SNVBAGLBSA-N	245.323	-0.914	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@@H]1C=O	1946672386	FJRCTPRCAKQVOX-PSASIEDQSA-N	241.291	-0.547	50	10	BBGE	
O=C(c1ccsn1)N1CC[C@H](B(O)O)C1	1951320180	FNJBRPKTIAWTAL-LURJTMIESA-N	226.066	-0.168	50	10	BBGE	
Cn1nc([C@@H]2CC(=O)OC2=O)ccc1=O	1952355661	RUVQJVFLMQFOSQ-YFKPBYRVSA-N	208.173	-0.663	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)C1	1954505965	KYNVEEZDOWVKJQ-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
NNC(=O)CCCN1Cc2conc2C1	1958700319	ZCBVRAIQADBEAJ-UHFFFAOYSA-N	210.237	-0.240	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)C[C@@H]1C(N)=O	1962375671	GMUSCRSWESWBHM-RRKCRQDMSA-N	234.683	-0.549	50	10	BBGE	
Cn1nccc1C(=O)N1CCC(B(O)O)CC1	1964500096	GTJTVTHOSDADBH-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(F)C[C@@]1(C)CO	1976215618	VPPYNXJXWJTIOE-XPUUQOCRSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CC[C@@H](O)CC1)C(=O)NN	1976628605	FBHCEOISWHHJNB-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)[C@H]1C[C@@H]1C	1979615443	GVGUNUJYVQSLNU-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
COC1(CF)CN([C@H](C)[C@@H](C)C(=O)NN)C1	1980376108	DOTGDHWRZBOJPZ-HTQZYQBOSA-N	233.287	-0.329	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CCC[C@@H]32)nc1	1981408880	GMCZFXJQJZVQTA-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
CCSC1CN(c2ncncc2B(O)O)C1	1981413483	HFKUXAGVILSDBL-UHFFFAOYSA-N	239.109	-0.902	50	10	BBGE	
CC1CC(Cn2cc(B(O)O)ccc2=O)C1	1984101842	OPSPDIZRKUVVNS-UHFFFAOYSA-N	221.065	-0.426	50	10	BBGE	
CN(C)CCN(C)CCC(F)(F)C(=O)NN	1984130562	VAFHWTGMFFEHLT-UHFFFAOYSA-N	238.282	-0.505	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC([C@H]2NC(=O)NC2=O)C1	1986670030	RYRZERVSCDSJCW-INEUFUBQSA-N	245.666	-0.720	50	10	BBGE	
CO[C@H]1C[C@@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	1987754267	SYRTYELZPYALLE-XGEHTFHBSA-N	225.244	-0.062	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CCO)CC1	1988605470	BQXYNNBVKKKIIX-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@H]2CC[C@@H]21	1988712601	WTWGPFSCBBPSAI-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
CN1CC[C@H](CNC(=O)C=CC(=O)Cl)C1=O	1991655264	UDILKXSIJFBYGS-SSDOTTSWSA-N	244.678	-0.098	50	10	BBGE	
O=S(=O)(NCC#CB(O)O)C1CCCCC1	1992136096	WDKHBAVFPWSSSL-UHFFFAOYSA-N	245.109	-0.746	50	10	BBGE	
C=C1CN(C(=O)c2ccccc2B(O)O)C1	1992836536	NOMCNRMGCFRZKR-UHFFFAOYSA-N	217.033	-0.622	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(CO)CCCN2)CC1	2003037633	UQPSBRTYOGBWHO-GFCCVEGCSA-N	235.287	-0.217	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(C)(C)C2)n1	2003505745	HIWBEIIQWZTKHF-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
C[C@@H](CN1CCc2c(ncn2C)C1)C(=O)NN	2003941098	ZKOCHJYLIHHDBY-QMMMGPOBSA-N	237.307	-0.596	50	10	BBGE	
CN(CCCN1CCOC1=O)CCC(=O)NN	2004401729	KAWUOMNAYRCGLE-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC1(C)C	2004911411	GUCNELIDNABTLX-SECBINFHSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H](C)C(F)(F)F)n1	2004931606	LWTDVXYDLSVYJL-BYPYZUCNSA-N	249.985	-0.206	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@H]3C2)ccc1B(O)O	2005017355	DBDYXKNXXVVILC-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCC(C)(C)C(=O)NN	2005879233	YQVQZNUHOJTDGB-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1(F)CCCC1	2008844853	TYDJGGHBJHKCKH-UHFFFAOYSA-N	239.055	-0.190	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cc(C)n(C)n1	2011840768	UVZGYHPHWISKJA-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)C12CCC2)C(=O)NN	2016080532	OAHHPPAJBQKBFM-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@]1(C)O	2017233778	LLUGQDLBQOCFQS-WDCWCFNPSA-N	241.335	-0.295	50	10	BBGE	
COC[C@]12C[C@@H]1CN(CC(=O)NNC(C)=O)C2	2019212583	UENQLXXECNPVGG-MWLCHTKSSA-N	241.291	-0.878	50	10	BBGE	
CN1CCC(CC(=O)NCC=CB(O)O)CC1	2020067055	CNOQDVDGNNGEAX-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CO[C@H](C(=O)N[C@@H]1CCC=C1B(O)O)C1CC1	2020068034	NMSSTRZTRXRPFN-ZJUUUORDSA-N	239.080	-0.372	50	10	BBGE	
CC1(C)OC[C@H](N)[C@@H]1N1CCC(O)(C#N)CC1	2023407985	ORSZNWZXJWJWMA-UWVGGRQHSA-N	239.319	-0.158	50	10	BBGE	
C[C@@]12CC[C@H]1CN(c1ncncc1B(O)O)C2	2026850618	XVPIAROCHWFMTE-KWQFWETISA-N	233.080	-0.607	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@]12CCC[C@H]1C2	2040767761	XAECIXKBGHJLGB-QPUJVOFHSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3COC[C@@H]3C2)nc1	2052466052	GACAITMLJTXECC-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1cnccc1-n1cnc(C2CCC2)n1	2052598225	OWWRVWNFFAZZLN-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]3CC[C@@H]32)n1	2052619461	FVMMUFBTGANWMF-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ccccc2[C@H](CO)C1	2056056334	GGGWDYFQNKRGQN-KOLCDFICSA-N	249.314	-0.044	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1cnc(C2CC2)n1	2068334093	ABCLQPGJFQAENG-UHFFFAOYSA-N	248.026	-0.641	50	10	BBGE	
NNC(=O)CN1CC[C@H]2[C@H](CCC[C@H]2O)C1	2210417878	MGGFWHIGVBAVTA-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CN)SCC1(C(=O)NN)CCOCC1	2212445008	SYQMQQXZTGITEG-MRVPVSSYSA-N	247.364	-0.147	50	10	BBGE	
CC(C)=CCN=c1cc(B(O)O)c(C)c[nH]1	2212605784	KCSOFWAJYRDSQH-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
CC[C@H](CN)Oc1nccc(B(O)O)c1F	2212608742	LHOWKHLOGWUEEK-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](OC)C[C@H](OC)C1	2216290252	BROMEHFITUZBGC-GUBZILKMSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)C[C@@H](O)C2)CCC1	2216493150	ZOIBEZIQYIEWJU-DTWKUNHWSA-N	245.298	-0.449	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)ccn1)C(=O)OC	2217171555	CAIYYWAPYRHWAS-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
CC[C@@H](N)C(C)(C)Oc1cc(B(O)O)ccn1	2217191480	SMRSDUPNDVILKQ-SECBINFHSA-N	238.096	-0.344	50	10	BBGE	
CC(C)[C@H]1COCCN1CCOCC(=O)NN	2217193130	SAPUVIDAJONECJ-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
CC[C@H](Nc1ncccc1B(O)O)C(=O)OC	2217196687	HUMPVMHGNKDJOI-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
COCC(C)(C)CNc1ncccc1B(O)O	2217201143	CJAHFOZQTHPRMT-UHFFFAOYSA-N	238.096	-0.154	50	10	BBGE	
CN1CC[C@@](C)(CNc2ccc(B(O)O)cn2)C1	2223653770	UQLSZMZDOBHFDP-LBPRGKRZSA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1ccnc(OCC2CC3(CCN3)C2)c1	2223658576	ANNYORJANTYBBT-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2COC3(CCC3)C2)c1	2223659808	IUNVOPBYFSMMNQ-JTQLQIEISA-N	249.075	-0.148	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1cc(B(O)O)ccn1	2223669299	IINZHRPZKMSKQH-GISOBZBCSA-N	247.107	-0.701	50	10	BBGE	
C[C@@H](F)CCNC(=O)C1(B(O)O)CC1	2241480540	JCAJKKVDGXFJQX-ZCFIWIBFSA-N	203.022	-0.142	50	10	BBGE	
COC[C@@H](SC[C@@H](C)OC)C(=O)NN	2241561144	ZGYXEBCRLFGLIV-RNFRBKRXSA-N	222.310	-0.241	50	10	BBGE	
CN(CC1[C@@H]2CCC[C@@H]12)C(=O)C#CB(O)O	2243356679	LLLFVQGCKZLLFU-RKDXNWHRSA-N	221.065	-0.494	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)ncc1Cl	2243361764	GVEUEKCJDYHAOP-UHFFFAOYSA-N	238.439	-0.003	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2243363562	IXICMTPXWVVPND-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
Cc1n[nH]cc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243374133	YEPQKYPZBAASRE-KNVOCYPGSA-N	223.041	-0.090	50	10	BBGE	
CC(F)(F)CNC(=O)c1cc(B(O)O)cs1	2243378248	PIEXONLILGGVIS-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1sncc1B(O)O	2243385238	FMHGZRVIANBMAD-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
O=C(NCc1ccon1)C1CC(B(O)O)C1	2243390918	DBBZUBLIWNLJBS-UHFFFAOYSA-N	224.025	-0.456	50	10	BBGE	
CC1(C)SCC[C@H]1CNC(=O)C#CB(O)O	2243398007	AMJKOYLOFDRBQZ-QMMMGPOBSA-N	241.121	-0.350	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243400620	FCXBZPORBKEDRU-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1C[C@@H]2C[C@H]2C1	2243407249	OCOLXUMMZWJRQR-BQBZGAKWSA-N	237.089	-0.480	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1N	2243408015	FHVJFDFEXQYWHV-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)[C@H]1C[C@H]1B(O)O	2243426664	JZHZUINFDTXTHS-XHNCKOQMSA-N	227.069	-0.874	50	10	BBGE	
CC1(C)CCC[C@]1(O)CNC(=O)C#CB(O)O	2247740754	OXEDLMMJUVHFAX-NSHDSACASA-N	239.080	-0.941	50	10	BBGE	
CC12CCOC(CNC(=O)C#CB(O)O)(C1)C2	2247743107	ZCTIEPJNQSFLDO-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CC=CCCNC(=O)c1ncccc1B(O)O	2247771669	XLXZSSDZZXUVSJ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CC[C@@H](C)NC(=O)c1nn(CC)cc1B(O)O	2247791309	KZADKBWXGRAQQO-SSDOTTSWSA-N	239.084	-0.889	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCN1	2247796996	FIPQIJRQPHKBIL-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
CN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797367	ITEMGMJJWQGGJM-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@@H]1C[C@]12CCOC2)[C@@H]1C[C@@H]1B(O)O	2247798668	WDOQXQFEFOAYAF-DKIAZLNASA-N	239.080	-0.608	50	10	BBGE	
O=C(NCC1CC2(CCN2)C1)[C@@H]1C[C@H]1B(O)O	2247809986	SWCJEGLXKLGAST-VCZAYRLQSA-N	238.096	-0.892	50	10	BBGE	
CC1(CCNC(=O)c2ccc(B(O)O)o2)CC1	2247847340	VWULBTZQIWHPIC-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N1CCC[C@H](CO)CC1)C1(B(O)O)CC1	2247877514	BMSGNYRJNJPGSU-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
O=C(NCCC1(CO)CC1)C1(B(O)O)CCC1	2247878196	MFSRHBXHHMJVGX-UHFFFAOYSA-N	241.096	-0.338	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@H]1C(F)F	2247887476	OOROKXNWHGCCKR-VQVTYTSYSA-N	249.022	-0.658	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896611	HWEDUJZQXVQLAP-ZYUZMQFOSA-N	240.112	-0.422	50	10	BBGE	
CN(Cc1nccn1C)C(=O)[C@H]1C[C@H]1B(O)O	2247897764	WRMIBSIUBKMZFJ-JGVFFNPUSA-N	237.068	-0.759	50	10	BBGE	
C[C@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898045	ZUUIMWCFGHRAHE-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ccco1	2247899747	PUVYTQNNVHUDEO-BWZBUEFSSA-N	238.052	-0.742	50	10	BBGE	
CCN(CC(F)F)C(=O)c1cc(B(O)O)co1	2249416389	QYMZENLCMYZYAT-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCCN1	2249943837	KBSBWYJEQVAYEZ-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1occc1B(O)O	2251015453	SWSZYRVBQACJPU-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
N#CC1=CCN(C(=O)c2coc(B(O)O)c2)CC1	2255443617	BNSRGLCNJGYGQR-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cc(B(O)O)oc1C	2255452595	LGBMYGULOFJMAZ-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
Cc1cc(NC(=O)c2occc2B(O)O)ncn1	2255488024	YFXPUXZKNLHOHK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)c(C)c1	2255509978	QYXWOLQHPHXZKR-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(B(O)O)c(F)c1	2255513739	WYNZDGRIVRUVJK-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
CC(C)C1CN(C(=O)c2cncc(B(O)O)c2)C1	2255517198	UDXPJXBRXIJIJY-UHFFFAOYSA-N	248.091	-0.511	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ncncc1B(O)O	2255521245	UHYHAIAHZDCGAX-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1c[nH]nc1B(O)O	2255567992	HXFSOFJOPOYRCI-VIFPVBQESA-N	249.079	-0.874	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1nccc(C)c1B(O)O	2255580448	CSVKMDMBCIIIOY-BDAKNGLRSA-N	248.091	-0.402	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255670903	JYJJUKGUBSTGKR-SCZZXKLOSA-N	248.091	-0.530	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1coc(B(O)O)c1	2255734128	WBILGIWLEPINLH-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ncc(C)cc1B(O)O	2255788233	LZDSLEBJBLYWRX-QMMMGPOBSA-N	246.075	-0.931	50	10	BBGE	
O=C(N[C@@H]1CC12CCCC2)c1c[nH]nc1B(O)O	2255789853	OEYTUOLCJJIHAT-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC1(C2CC2)COC1	2260055202	HBOUNUIHSHNQSA-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298166097	RZHDJFCEFKYKHK-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)C[C@H]1O	2298371321	HSERVLJOYFCQQO-VVULQXIFSA-N	241.096	-0.533	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](CO)C1)[C@H]1C[C@H]1B(O)O	2298375374	HMHHUDAIFNJZDR-XFWSIPNHSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298377414	PYIQKFIEQLHQTM-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
CN(C)CCOc1ccc(B(O)O)cc1C#N	2301371872	MCMNAUUITZNSAG-UHFFFAOYSA-N	234.064	-0.822	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301478735	DGDIMSQIIYBMPC-WDCWCFNPSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2302053806	XKNBNSBYRUFXLU-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
O=C(O)CCCCC(=O)N1CC[C@H](B(O)O)C1	2303112724	UZHNBBIRVDZSEA-QMMMGPOBSA-N	243.068	-0.293	50	10	BBGE	
CN1CC[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317311677	TYSPIRDDFWZWKJ-NSHDSACASA-N	249.075	-0.738	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1F	2320795897	AWQPRALSZATCHI-SDCKUUTBSA-N	248.066	-0.255	50	10	BBGE	
N[C@H](CC[C@H](Cl)[C@H](N)C(=O)O)C(=O)O	5411087	UZCHFKQDEKHHGI-LMVFSUKVSA-N	224.644	-0.802	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1Cc2ccccc2O1	51087842	XUZWYZUFQCUGBB-MRVPVSSYSA-N	235.243	-0.904	50	10	BBGE	
NC(=O)N/N=C/C(=C1/NCCCS1)[N+](=O)[O-]	71778348	BNOALPPBYGGEDD-UVJWVVOVSA-N	245.264	-0.187	50	10	BBGE	
O=C(CCl)NC(=O)N1CCn2cnnc2C1	81528367	PNWPDNBNVJKISY-UHFFFAOYSA-N	243.654	-0.431	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C)(O)CC1	88023279	AKSWXNMSLXLNOE-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CCN(CCCO)[C@@H](C)CC(=O)NN	124935203	NYBAWVNYGFKOBC-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)N(C)C)O1	151068739	UEWMMXBOIGPRPZ-RNFRBKRXSA-N	215.253	-0.144	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](C)(O)C1	163760767	UQNRTPIFJDNDMQ-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
CN(C)CCCNC(=O)C(=O)NCCCCl	170359175	ALRFGUDDNIAQOU-UHFFFAOYSA-N	249.742	-0.201	50	10	BBGE	
COC[C@@H](C)Oc1cncc(B(O)O)c1	203524165	JCQOVLXVOPVQAO-SSDOTTSWSA-N	211.026	-0.825	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)cc1C	203741814	MAZOQJGXQAQAEF-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
N#C/C(C(N)=O)=C(\N)NCc1cccnc1	220737871	XSLJDUPTMKUCGS-HJWRWDBZSA-N	217.232	-0.650	50	10	BBGE	
OB(O)c1cc2nccnc2c(F)c1O	238643805	MIOFDZJAEAENGW-UHFFFAOYSA-N	207.957	-0.846	50	10	BBGE	
N#C[C@@H](O)c1ccccc1N1CCNC(=O)C1=O	260256947	BSBOPKKLQQXIKT-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)[C@H]1CO	299903306	AZMGTTXEIZJFJM-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1COCC[C@H]1N1CC(=O)OC(=O)C1	301023711	OKZZGBNPFBPRFW-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
O=C(NNC(=O)[C@H]1CSCN1)C1CC1	306188173	UJGHXXVCFIFAQO-ZCFIWIBFSA-N	215.278	-0.794	50	10	BBGE	
CC(=O)Cc1cc(S)ccc1B(O)O	306937648	LTFHYHMQKVDFEO-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
O=S(=O)(CCl)N1CCc2nn[nH]c2C1	307127216	VWNADDVMEZKVIA-UHFFFAOYSA-N	236.684	-0.311	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)C(F)(F)F	307510610	KRDUWEYSOCZDKE-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
CCCN(CC(N)=O)CC(C)(C)C(=O)NN	309362703	OXZCWBPVXKDGQC-UHFFFAOYSA-N	230.312	-0.800	50	10	BBGE	
Nc1ccc(OC(F)(F)F)c(F)c1B(O)O	321668444	LKPWXTMIVVDVRI-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Cn1ncc(C(=O)N[C@]2(CCl)CCOC2)n1	393944938	DRFVFJPTLZLIKO-VIFPVBQESA-N	244.682	-0.057	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401639962	ZOPMHEMWXNQGAO-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)O[C@@H]1CCCN(CC(=O)NN)C1	404574031	FCXVWSWDILEAIZ-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
CSCC(=O)Nc1ccc(F)c(B(O)O)c1	405026133	LWMJOLRKKRYPCP-UHFFFAOYSA-N	243.068	-0.193	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1CCCO1	405044884	CGOQNUJGBJXMKC-NSHDSACASA-N	249.075	-0.838	50	10	BBGE	
CC(C)COC(=O)Nc1cc(B(O)O)ccn1	405129068	CNWOQNCYLHXSCP-UHFFFAOYSA-N	238.052	-0.034	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@]1(C)CCC(=O)NC1	496808050	HFYHNVXLBOZMCB-SNVBAGLBSA-N	243.263	-0.368	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H](C)C1O	688122348	PJDDPNCCWZFTLL-IWSPIJDZSA-N	229.324	-0.296	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(CF)CC1	689109692	XBBSPHORMRAJPM-VIFPVBQESA-N	233.287	-0.327	50	10	BBGE	
CC(=O)N[C@H](Cc1ccc(O)cc1)B(O)O	694946685	NXHJWRWULRARBP-SNVBAGLBSA-N	223.037	-0.549	50	10	BBGE	
Cn1nccc1/C=C\C(=O)NNC(N)=O	700849856	WJTYTTIJTOZTDE-IHWYPQMZSA-N	209.209	-0.867	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C(F)F)C1	707183809	RLXJOXVWIDTJMJ-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
O=C(CBr)N[C@@H]1COCC[C@H]1O	710941657	ASDKWSZFEZZPGF-PHDIDXHHSA-N	238.081	-0.353	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(C)C)c1	716785088	XPJAQEOESIZFGM-UHFFFAOYSA-N	207.038	-0.623	50	10	BBGE	
C#CC[C@H](CO)Nc1nc(N)nc(CCl)n1	717769229	DLOXNHNBSSXBCF-ZCFIWIBFSA-N	241.682	-0.011	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@@]1(C)CCCO1	820209618	YJEOJGMGRILSPV-SNVBAGLBSA-N	225.248	-0.481	50	10	BBGE	
O=C(CO)NN=Cc1nc(CO)cs1	1119620228	KRRVBACKPQASOT-UHFFFAOYSA-N	215.234	-0.922	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1ccccn1	1587060933	OPIJJTARAXDCJY-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)c1cc[nH]n1	1629180450	YCWGYNIORQJCQH-UHFFFAOYSA-N	234.219	-0.864	50	10	BBGE	
COc1cnc(F)c(C(=O)NN(C)C(N)=O)c1	1632039772	VPYWPPCIYGNOMC-UHFFFAOYSA-N	242.210	-0.115	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](NCCF)C1	1880702898	KIWOACFDQFJDNZ-RITPCOANSA-N	215.677	-0.050	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@@H]2COC[C@@H]21	1886757830	CUBWAQZBKDQILH-RITPCOANSA-N	218.640	-0.208	50	10	BBGE	
C[C@@H]1CCC[C@@H](COCC(=O)NN)O1	1888224686	JQRXDRQHKPUPHK-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
N[C@H](CCO)C(=O)N1CCSSCC1	1890397380	ORLSEVPEPKRGOH-SSDOTTSWSA-N	236.362	-0.080	50	10	BBGE	
COC(C)(C)CN1CC[C@H](B(O)O)C1	1891493456	VNOZIHCPIPBGFL-QMMMGPOBSA-N	201.075	-0.040	50	10	BBGE	
CCON(CC)CC(=O)NNC(C)=O	1892435787	FCKAZVAEDTZWMB-UHFFFAOYSA-N	203.242	-0.573	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCOC[C@H](O)C1	1893453958	RUXILGZWEIMKTN-BWZBUEFSSA-N	219.668	-0.167	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C)[C@](C)(O)C1	1896860984	VCSXYPOCWXGIPE-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)[C@H](COC)C(=O)NN	1897486123	DNBYNRIKCVRBJZ-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC1(N)CCC1	1901374834	HOIFAVHNPCLPGA-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(F)(CO)C1	1901756038	BXSQQVYHLOJPCG-QMMMGPOBSA-N	233.287	-0.449	50	10	BBGE	
CC[C@](C)(CSc1nnnn1C)C(=O)NN	1902716130	OIRVSFYRFXFJIR-MRVPVSSYSA-N	244.324	-0.292	50	10	BBGE	
C#CC(=O)Nc1cc(F)c(F)cc1B(O)O	1904706302	PEEILGJXUZHTTP-UHFFFAOYSA-N	224.959	-0.784	50	10	BBGE	
C[C@H](CN(C)C)N(C)CC(C)(C)C(=O)NN	1904707549	JHGLAZIYKGZJDF-SECBINFHSA-N	230.356	-0.116	50	10	BBGE	
C[C@H](CC(=O)NN)n1cccc([N+](=O)[O-])c1=O	1905542526	YZPCWCVJZPGQOT-ZCFIWIBFSA-N	240.219	-0.303	50	10	BBGE	
NNC(=O)CN1CCOC2(CCC2)CC1	1931628528	VYGNSVPZAHFSRX-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
Cc1ccn(C[C@H]2C[C@@H]2C(=O)NN)c(=O)c1	1936086259	XWJCEIDJPIOBFH-BDAKNGLRSA-N	221.260	-0.217	50	10	BBGE	
CN(CCOCC(=O)NN)C1[C@@H]2CCC[C@@H]12	1938335350	XDUGNNUIVWSTRC-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
COCCN(CCOC)C[C@@H]1C[C@@H]1C(=O)NN	1941090130	NEWWSCLBUTUNKY-UWVGGRQHSA-N	245.323	-0.793	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2COC[C@H]2C1	1941092798	MFPYCWOWXGBTNT-UKKRHICBSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)COCCN1CCO[C@H](C2CC2)C1	1941773034	RGGRVJXCBSPFMB-JTQLQIEISA-N	243.307	-0.896	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)N1C	1941784276	MRQUCAGWGWAKSG-AOOOYVTPSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@@H]1CCCO	1944159852	DIECXQBSYVHAPY-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
O=C1[C@@H]2CCO[C@@H]2CN1S(=O)(=O)CCl	1956915771	VGVCTMHQPIGFEV-PHDIDXHHSA-N	239.680	-0.240	50	10	BBGE	
CC(C)CN1CC[C@H](N(C)CC(=O)NN)C1	1976578174	YRXXZJWHBXLFST-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC(C)(C)C)n1	1981421449	ADXFCANVQFBZOZ-UHFFFAOYSA-N	224.069	-0.049	50	10	BBGE	
Cc1nc(N2CC[C@H](F)C2)ncc1B(O)O	1981446191	UZASTJGLZDPTPB-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
CCN(c1ncc(B(O)O)cc1F)C1CC1	1981468825	IRYVTOZFYYRKLB-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)C1CCC1	1981469370	RFSRWQYLKXYLEP-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)c1ccnn1C	1981560518	PYBWYXPGBRPMAA-HTQZYQBOSA-N	225.296	-0.129	50	10	BBGE	
CCN(CC)CCOCC(F)(F)C(=O)NN	1982848621	LBIIDSRCVMGYQW-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3C[C@@H]3CO2)CC(=O)O1	1984431519	HYNAZTBVCSSGOZ-HLTSFMKQSA-N	225.244	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(CCN(C)C)C1	1984669557	NBAFDOBSOJAENE-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
COC(=O)C12COC(C(=O)NN(C)C)(C1)C2	1985313509	UPIHISVLYLSCMA-UHFFFAOYSA-N	228.248	-0.699	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC=C[C@@H]1CO	1985649064	RSCXEHDQVWDMOW-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
CC(C)[C@@H](C)Cn1cccc(B(O)O)c1=O	1988303429	UHVIJWBVDIADFB-VIFPVBQESA-N	223.081	-0.180	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(CCOCC(=O)NN)C1	1997256901	OTKMAVGJKXQKCH-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CNCC[C@@H]1C	1999919377	KHJYNMXZCYINTA-WPRPVWTQSA-N	242.323	-0.917	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([C@@H](F)CO)C1	2001908668	DMLDVSXISOEMLF-UWVGGRQHSA-N	247.314	-0.347	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1N(C)C	2003958210	MIMXOVGKIABDFA-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
Cc1nc(N2CCC[C@@H]3C[C@H]32)ncc1B(O)O	2004974461	KQUPQXDUZFXCPA-PSASIEDQSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H](C)C(C)C)n1	2005014299	JMQJRGBDUSWCEK-MRVPVSSYSA-N	237.112	-0.054	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCOC[C@H]1F	2013731739	SWLJSNDNOODNII-RKDXNWHRSA-N	249.286	-0.948	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1ncc(F)cc1B(O)O	2014926592	PGEPPBHYKUTWMX-MUWHJKNJSA-N	242.034	-0.305	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020067300	GAHYXGWYBJMDFW-XKSSXDPKSA-N	239.080	-0.372	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NCC#CB(O)O	2021157214	JAVMBZKAQQNOIM-ZNSHCXBVSA-N	235.092	-0.200	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccccc1B(O)O	2022196348	LAPTVBCXNVUOPW-GMSGAONNSA-N	237.039	-0.546	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC(F)=C1CCC1	2023192628	UYGBBRUWPMOWAJ-UHFFFAOYSA-N	237.039	-0.064	50	10	BBGE	
NNC(=O)c1ccc(OCCN2CCC2=O)cc1	2030194778	URWXTIQKYLOLDZ-UHFFFAOYSA-N	249.270	-0.099	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCc2nnccc2C1	2043021000	ZSGDAVZINLKGBI-VIFPVBQESA-N	249.318	-0.007	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(B(O)O)cc1	2058048830	IAQJWLGWZDUOLT-SKDRFNHKSA-N	247.103	-0.319	50	10	BBGE	
CCc1cc(B(O)O)cc(C#N)c1C=O	2060237432	LOPMFCWVWVVLEQ-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H]3COC[C@@H]32)cc1	2077844054	LVXPSFGYLYXNHJ-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
CN(C)C[C@H](CCl)N=c1[nH]ncn1C	2209807978	RRLFHXUZXYIVLI-ZETCQYMHSA-N	217.704	-0.182	50	10	BBGE	
NNC(=O)C(=O)N1CCC(OC(F)F)CC1	2212375370	BSHMDVDGILMBLY-UHFFFAOYSA-N	237.206	-0.794	50	10	BBGE	
CC=C1CCN(c2ccc(B(O)O)cn2)C1	2212611138	VUQDUWNSPKGBMK-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CN(CC1(Cl)CC1)c1ncccc1B(O)O	2212612978	QMPUXWWQLHHQRJ-UHFFFAOYSA-N	240.499	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1(C(N)=O)CCC1	2212657917	STZFFZHTRDDBBR-YFKPBYRVSA-N	247.682	-0.153	50	10	BBGE	
CCC(F)(F)C(=O)Nc1ncc(B(O)O)cn1	2214655728	HBKIJVDIWZYYLZ-UHFFFAOYSA-N	244.994	-0.860	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@H]21	2215773286	SESYBWLCVNDDDK-NZFPMDFQSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H](O)C[C@@H](F)C1	2215775504	HHRBCOZPMQIUST-ZYUZMQFOSA-N	245.298	-0.593	50	10	BBGE	
CCC[C@H](CN)COc1ncccc1B(O)O	2217168526	VDNRIZKWHOAFNQ-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CN1CCC(Nc2ncccc2B(O)O)CC1	2217177177	GLDVRCXSTUVWQP-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
C[C@@]1(COc2nccc(B(O)O)c2F)CCN1	2217193133	SAWRKIRFNLAUPN-JTQLQIEISA-N	240.043	-0.969	50	10	BBGE	
C#CC[C@@](C)(CO)CNc1cc(B(O)O)ccn1	2223626343	HVFRXRFVVHMEQQ-GFCCVEGCSA-N	248.091	-0.805	50	10	BBGE	
Cc1cnc(N2C[C@@H](CN)C[C@@H]2C)cc1B(O)O	2223647961	FYLDUYHFLWJOIE-VHSXEESVSA-N	249.123	-0.757	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CNC[C@H]2C3)c1	2223661433	PRPPRBGRBYHDKR-IQJOONFLSA-N	248.091	-0.862	50	10	BBGE	
C=CCNC(=O)c1csc(B(O)O)c1	2241479303	VVBPFBGVFFBKEJ-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
Cc1sc(C(=O)O)c(C)c1B(O)O	2241493265	LEELJXLANKMJPL-UHFFFAOYSA-N	200.024	-0.257	50	10	BBGE	
COC(=O)CS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2242235808	WADWZSDXEDLNKY-IZLXSQMJSA-N	241.696	-0.151	50	10	BBGE	
NNC(=O)COCCOCCOC(F)(F)F	2242792358	DNZILPLDFZLAKR-UHFFFAOYSA-N	246.185	-0.454	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccsc1B(O)O	2243358756	KMBODWFIKAVGOL-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
NC(=O)c1cc(B(O)O)cc(C(F)(F)F)c1	2243377967	KHVKXPZLGCJGMY-UHFFFAOYSA-N	232.954	-0.516	50	10	BBGE	
O=C(NCCC1(O)CC1)[C@H]1C[C@H](B(O)O)C1	2243396276	KCSWFDWASSEVEM-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C(=O)C1(B(O)O)CC1	2243408597	QBGFOMNYPBBHKY-SFYZADRCSA-N	227.069	-0.777	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CCO2)C1	2243425635	AEDVQZWEYODAHE-ZKCHVHJHSA-N	225.053	-0.759	50	10	BBGE	
C[C@H](CC[S@](C)=O)NC(=O)[C@H]1C[C@H]1B(O)O	2243427077	PWUAQTWJLXKSKZ-NYVJYKTGSA-N	247.125	-0.877	50	10	BBGE	
CCOCCOc1cc(B(O)O)c(Cl)cn1	2245913358	QFVFFTDVHVPGQS-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
CCCOCCOc1cc(B(O)O)cnc1C	2246744190	QHSQFVQAJDSKTC-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CCN(C)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247751394	XDTLTLLJJSIHOT-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)C1(B(O)O)CCC1	2247751636	ZTEBLFWKTWHXHK-SCZZXKLOSA-N	239.080	-0.321	50	10	BBGE	
O=C(N[C@@H]1COCC1(F)F)C1(B(O)O)CCC1	2247754114	BSLSJPUNYOOVSB-ZCFIWIBFSA-N	249.022	-0.466	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1occc1B(O)O	2247755734	KRWCTWUJOURXJJ-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CN1C	2247756193	MRKGYOUTQOVFQE-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCCn1ccnc1)C1(B(O)O)CC1	2247757508	VTOIPWYONCIPNN-UHFFFAOYSA-N	237.068	-0.604	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1cccc(B(O)O)c1	2247769415	IFYFQIGWHRDUOH-SSDOTTSWSA-N	233.032	-0.873	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1sccc1B(O)O	2247771273	UQZVZDVWAYUNMY-MRVPVSSYSA-N	249.100	-0.334	50	10	BBGE	
CN(CC1(C)COC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787588	QWKUKEPILXVFTD-DTORHVGOSA-N	241.096	-0.266	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247791445	NBHVMRKYFVRLFB-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2COC[C@H]21	2247797182	GWMPMNZKEDVXAO-SEZDTBSWSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1C	2247801204	YHZPXAAFAJSWAQ-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1cnn[nH]1	2247804595	HWBPNFZFNGGVOG-ACZMJKKPSA-N	238.056	-0.765	50	10	BBGE	
CC1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCC(O)CC1	2247806070	DBLOZUQFCAAUQU-VCZAYRLQSA-N	241.096	-0.341	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2C[C@H]1CCC2(F)F	2247849627	CIMQVBDRRGMGLJ-HTQZYQBOSA-N	243.018	-0.352	50	10	BBGE	
C=CCO[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247849686	DEIGYEWGGWJRNN-JTQLQIEISA-N	237.064	-0.805	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCCCC1	2247869335	PTNXPWSYYBUWDM-UHFFFAOYSA-N	234.064	-0.613	50	10	BBGE	
CC1(CNC(=O)c2ccoc2B(O)O)CCC1	2247869364	QFDFLUNRFHKYOM-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC1(NC(=O)c2occc2B(O)O)CC(F)C1	2247877066	BLRSFFGWBISJQX-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CCC[C@@H]1CNC2	2247887334	MWWHOGOFNUGRKM-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCCN1	2247892783	HVOCBOOYOCABTR-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CCCO2)C1	2247897538	UNLGPOOXUSTALD-KYZUINATSA-N	239.080	-0.369	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247899428	NHSADCVZWDNYKL-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247900283	VOTBGDHDGBYKKN-BDAKNGLRSA-N	235.052	-0.702	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C(=O)C1CC(B(O)O)C1	2247903763	MMQJMXGTVHLPHK-HORUIINNSA-N	238.096	-0.846	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@H]1C[C@H]1B(O)O	2248573853	KMQFKCKBMYXUIW-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1COC2(CCC2)C1	2248789912	ZFRRDVOESKCFMQ-VIFPVBQESA-N	239.080	-0.370	50	10	BBGE	
CC[C@@H](OCCN1CCOC[C@H]1C)C(=O)NN	2249105456	CZKLJROBGTVKNH-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](NC(=O)c1cocc1B(O)O)C(F)F	2249416272	PCROWBNXQHSSRU-SSDOTTSWSA-N	247.006	-0.267	50	10	BBGE	
CC[C@H](NC(=O)c1cocc1B(O)O)C(F)F	2249416273	PCROWBNXQHSSRU-ZETCQYMHSA-N	247.006	-0.267	50	10	BBGE	
CNCC[C@H](NC(=O)C#CB(O)O)C(C)(C)C	2253128282	ZZROJFVEYQGJAL-VIFPVBQESA-N	240.112	-0.858	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2255477457	ZYXQWYUMJLLTTB-PRHODGIISA-N	248.091	-0.433	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cc1OC	2255502455	XPJVFMBTKGHCLH-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
C/C=C/CCCNC(=O)c1ncncc1B(O)O	2255504090	GUXHMXJGDLMFHU-NSCUHMNNSA-N	249.079	-0.758	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@H]3C[C@H]3C2)cc1B(O)O	2255511772	OQICMSXXPONQSQ-PHIMTYICSA-N	245.087	-0.233	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1cc(B(O)O)n[nH]1	2255548054	KFQMRCXNONVJSN-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
Cc1cccc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2255564355	OSMYHVVIJPMFMV-MNOVXSKESA-N	248.091	-0.088	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@H]1B(O)O	2255564819	RJOKKPVQJSWZLT-FBIMIBRVSA-N	248.091	-0.008	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC[C@@H]2C[C@H]21	2255747019	CYGUJJVLDDYJHL-RDDDGLTNSA-N	249.050	-0.260	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1O	2255956233	AHXMBGJJKJBKPY-VIFPVBQESA-N	249.075	-0.304	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H]1[C@H]2CO	2298165668	QYSFJYWAYSROGK-HHKYUTTNSA-N	239.319	-0.685	50	10	BBGE	
CC[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCO1	2298371732	SYZMBODQHAGPNH-KKZNHRDASA-N	241.096	-0.075	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@H]12	2298376519	ZVZMXMRXXAHQGY-LOLPMWEVSA-N	238.096	-0.955	50	10	BBGE	
C#CCCOC(=O)Nc1ccc(B(O)O)cc1	2300781544	IPPNDYWFPLEPGB-UHFFFAOYSA-N	233.032	-0.062	50	10	BBGE	
O=Cc1ccc(NCC2COC2)cc1B(O)O	2301452605	JNOKBXNSCAUKOM-UHFFFAOYSA-N	235.048	-0.763	50	10	BBGE	
OB(O)c1ccc(OCC2[C@@H]3COC[C@@H]23)nc1	2302544466	GLTRJRXWNQTRFT-RKDXNWHRSA-N	235.048	-0.967	50	10	BBGE	
CCC#CC(=O)NCc1cccc(B(O)O)c1	2302831018	QMOJDBKNMPWEEH-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
OB(O)c1cc(N[C@@H]2COC[C@@H]2F)ncc1F	2303835258	UAASTTBTBIVUDT-JGVFFNPUSA-N	244.006	-0.951	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1B(O)O	2312615086	ZUVFBUVGRRXRFR-NGZCFLSTSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3C[C@@H]2CO3)c1	2312741222	DJMGYPFCZQHFIF-DVVUODLYSA-N	248.091	-0.259	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](Nc1ccc(B(O)O)cn1)C2	2313111689	FFDSTUNMSZWVMX-CKYFFXLPSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1C=CCNC1	2317152111	YKLQSSTWYMBERK-LLVKDONJSA-N	243.075	-0.822	50	10	BBGE	
C=C1C[C@@H]1C(=O)N1CCc2cccc(B(O)O)c21	2319323864	QRMAIXZOCOKVGF-JTQLQIEISA-N	243.071	-0.168	50	10	BBGE	
C=C(CN(C)Cc1cn2cccnc2n1)B(O)O	2326745615	HTXYXHJCTYQMIB-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
Cc1ccc([C@H](C)NC(=O)C(=O)NN)o1	49231331	NDELNWROGZZLNB-LURJTMIESA-N	211.221	-0.245	50	10	BBGE	
NNC(=O)COCC(=O)Nc1ccccc1O	58841188	SUBITVVLNKSVSU-UHFFFAOYSA-N	239.231	-0.663	50	10	BBGE	
CC[C@H]1COCCN1CCCC(=O)NN	82468015	UBRKOYVYOMQBIE-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCCN(C)C1	82470989	KLICYQYGGUKDKE-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](Cn1ccc([N+](=O)[O-])n1)C(=O)NN	82471665	SKKGNAPMJGILBP-RXMQYKEDSA-N	213.197	-0.583	50	10	BBGE	
Cc1ccc(=O)n(CCCCC(=O)NN)n1	82471723	NYYBZRIAXBGOGI-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C(=O)CCCl	129322325	UPMREZPFIWJGNP-LURJTMIESA-N	220.656	-0.672	50	10	BBGE	
C[C@]1(C(=O)NCCCl)CNC(=O)C1	170247015	AFVIDXIKFLWZDX-MRVPVSSYSA-N	204.657	-0.132	50	10	BBGE	
O=C=NCNC(=O)N1CCc2c(O)n[nH]c2C1	170294294	NUVMYHSQFZUVBP-UHFFFAOYSA-N	237.219	-0.524	50	10	BBGE	
C[C@@](CNC(=O)CCl)(CC(=O)O)C(=O)O	170313811	UYHISURYDCMKHJ-QMMMGPOBSA-N	237.639	-0.093	50	10	BBGE	
N[C@@H](CO)[C@@H](O)CI	196475542	SCOHCDDDVPSGMT-IMJSIDKUSA-N	231.033	-0.898	50	10	BBGE	
CC(=O)N[C@@H](C)c1cccc(B(O)O)c1	202185472	VDNSPDACJGIZCM-ZETCQYMHSA-N	207.038	-0.437	50	10	BBGE	
CCC[C@H](Sc1n[nH]c(N)n1)C(=O)NN	211755155	OSQZEDPIELMPLX-BYPYZUCNSA-N	230.297	-0.362	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NC[C@H](C)O	216550561	KYTCFAJUYUEDBT-FZGDARCMSA-N	227.264	-0.873	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](C)O[C@@H](CO)C1	230058273	UDXAAMSWQDVWRN-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1nnc[nH]1	230437400	RGEYNOGEWUXBJV-SCSAIBSYSA-N	224.673	-0.019	50	10	BBGE	
COC(=O)[C@@H](Cl)CNS(=O)(=O)N(C)C	234566904	OZGDLBTWIKOMND-YFKPBYRVSA-N	244.700	-0.837	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(N)cc1O	238590164	ULKGZMQVRMNONE-UHFFFAOYSA-N	210.193	-0.713	50	10	BBGE	
N#Cc1nc(Br)ccc1B(O)O	238620002	IEFFNXNGFJEJGI-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2)cc1F	238654730	LBBWGIKRIJOQJO-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
Nc1[nH]ncc1-c1ccc2c(c1B(O)O)OCO2	258302022	JDYCMNOFIBOHAT-UHFFFAOYSA-N	247.019	-0.933	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)OC(C)(C)C1	300020395	OKBFJESDVCESRM-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ccccc1=O	302294524	GSHZPDDLAKRKOA-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CC1=C(C=O)C(=O)N(C(C)(C)C)C(=O)[C@H]1N	318965126	XLHGAQOQLAMGGR-QMMMGPOBSA-N	224.260	-0.004	50	10	BBGE	
CN1CCCN(CCCC(=O)NN)C1=O	382189083	HJPMYFRMLNKLCA-UHFFFAOYSA-N	214.269	-0.486	50	10	BBGE	
CNCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	382646424	KYOKPWUJYPBXDZ-YUMQZZPRSA-N	233.337	-0.524	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)no2)C[C@H]1O	388881435	QWZGZGNRDFLMPD-IMTBSYHQSA-N	240.263	-0.909	50	10	BBGE	
CCS(=O)(=O)NCCNC(=O)[C@@H](C)Cl	390058427	AFTQKPLVHPJHLL-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
C[C@@H](N)CC(=O)NNC(=O)c1ccc[nH]1	390674099	WNXCLKRJFUGHEU-ZCFIWIBFSA-N	210.237	-0.487	50	10	BBGE	
CC(C)(CCSC[C@H](O)CO)C(=O)NN	395700487	HNMNLMJJABUWJV-SSDOTTSWSA-N	236.337	-0.521	50	10	BBGE	
CCC(=O)c1ccc(C(=O)O)c(B(O)O)c1	396132947	NEOLOAAOTLHVJZ-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
O=C(O)c1c(B(O)O)sc2ccc(O)cc12	396379101	IFSPHQCESXXBCU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1cc(B(O)O)ccn1	405003943	NVLLVVXYLBSNMD-QMMMGPOBSA-N	236.080	-0.008	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)NC1CCCC1	405132820	HNJWBVKBBCCSFR-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
C#CCOC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405149741	QBNBCEWWYIWDFU-VIFPVBQESA-N	247.059	-0.213	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)C1CC1	575456580	GZZAWRKKTMJONC-UHFFFAOYSA-N	223.012	-0.146	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)CC(=O)NN)[C@@H](C)O1	686389309	QSSAHHAEDNULJW-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CC[C@@]1(C)COCCN1CC(=O)NN	687848144	RSXKDBUDQCAZOK-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](Cn1ccc(B(O)O)n1)C1CCC1	694230559	WNXNVENZRRROSI-QMMMGPOBSA-N	208.070	-0.001	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@H]1CCO	694918510	DQUVYFUTFIPUFA-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CN(CCCl)CCN(C)Cc1nnnn1C	697757232	MPXYPFRACXIVNQ-UHFFFAOYSA-N	246.746	-0.188	50	10	BBGE	
CC1CC(C(=O)Nc2cccc(B(O)O)n2)C1	700804345	ODYPVENXTMMIJY-UHFFFAOYSA-N	234.064	-0.254	50	10	BBGE	
CN1CCO[C@@H](CN(C)C[C@@H](O)CCl)C1	707853548	FGIMTTILGWANRM-VHSXEESVSA-N	236.743	-0.152	50	10	BBGE	
CC[C@@]1(O)CCCN([C@H](C)C(=O)NN)C1	710208645	GHIMUZZOGUQHIP-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
Cc1conc1C(=O)NNC(N)=S	720504159	LRPRABTVEARKNN-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CCC(=O)NN	724139852	NADKNYODQCAVSC-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
NCCSCc1nsc(C(=O)NN)n1	724323077	BLVOKQKCGBOXHR-UHFFFAOYSA-N	233.322	-0.667	50	10	BBGE	
CO[C@H]1CCOC[C@H]1NS(=O)(=O)CCl	724847645	BXJYLLHWWAMDLE-RQJHMYQMSA-N	243.712	-0.094	50	10	BBGE	
C=CCNC(=S)NNC(=O)Cc1ccon1	798305977	OIIDCMKYTWCGHO-UHFFFAOYSA-N	240.288	-0.102	50	10	BBGE	
CS(=O)(=O)NNC(=O)[C@H]1CCCS1	818054691	UORQXDOMBCLJCI-RXMQYKEDSA-N	224.307	-0.538	50	10	BBGE	
O=C(CCC(F)F)NNC(=O)[C@H]1CCC(=O)N1	1331802650	GCUYXMSHTBFNME-RXMQYKEDSA-N	249.217	-0.542	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc(O)cc1OC	1542262486	LNGLQTQYCWIASW-UHFFFAOYSA-N	240.219	-0.630	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1cnsn1	1558282757	SRLPAKGISLCNJS-MRVPVSSYSA-N	244.276	-0.540	50	10	BBGE	
Cc1nonc1CNC(=O)NNc1cccnn1	1675691360	XJZJRBQRGZEFQY-UHFFFAOYSA-N	249.234	-0.006	50	10	BBGE	
C[C@H]1[C@@H](O)CN1C(=O)C=CC(=O)Cl	1883627338	TXYOBTWEKHYDHN-WDSKDSINSA-N	203.625	-0.100	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@H](O)C[C@H]1CO	1886212187	XPMUZXWJMZILFD-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CS	1888571028	BMIYDLJQXQTLKF-UHFFFAOYSA-N	212.296	-0.771	50	10	BBGE	
N[C@]1(C(=O)NC[C@@H]2C[C@H]2Cl)CCOC1	1893106300	FDVYRCJRIBVHCI-LKEWCRSYSA-N	218.684	-0.152	50	10	BBGE	
NC1CN(CC(=O)NC[C@@H]2C[C@@H]2Cl)C1	1893126782	CUOIZZBYPPGGQN-XPUUQOCRSA-N	217.700	-0.627	50	10	BBGE	
CC(C)(CN1CC[C@@H]2COC[C@H]21)C(=O)NN	1897311325	DOWBGYZYMHGIIK-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CCCc1nnsc1CN(C)CC(=O)NN	1899685236	QHFCNZQUMNYCRG-UHFFFAOYSA-N	243.336	-0.088	50	10	BBGE	
CN(NC(=O)c1ccc(F)nc1)S(C)(=O)=O	1901348610	LTKLRCAIBVWYCL-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CNC1CC1	1901375181	JJOMRHZDPBKEET-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2CCOC2)C1	1902521428	HBDVGLDEGQERTC-PSASIEDQSA-N	227.069	-0.512	50	10	BBGE	
Cc1cnc(N2C[C@@H](F)[C@H](F)C2)c(B(O)O)c1	1907080326	MSJYOKTZLOZAIT-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](OC)C[C@@H]21	1907892487	BCCFTIGNPYTQGK-QEYWKRMJSA-N	243.307	-0.900	50	10	BBGE	
C[C@@H]1CCC[C@H]1CN(C)C(=O)C(=O)NN	1909623186	LGWADRSHMFUKCT-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1COCC1(F)F	1910176039	DCWLEWWVDPESEE-XLPZGREQSA-N	249.261	-0.422	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	1914253056	CDHWHEHSQXLTLQ-YIZRAAEISA-N	215.297	-0.400	50	10	BBGE	
CN(C(=O)NC(=O)CCl)C(C)(C)C(N)=O	1915505583	FWBXNRUMELYQRU-UHFFFAOYSA-N	235.671	-0.343	50	10	BBGE	
CC1(NC(=O)CCCl)CS(=O)(=O)C1	1918429408	VJESRBYHVZTFKG-UHFFFAOYSA-N	225.697	-0.081	50	10	BBGE	
CCn1cc(C(=O)NNC(N)=O)c(C)n1	1927723371	BJXYPRRJFKGTJG-UHFFFAOYSA-N	211.225	-0.475	50	10	BBGE	
CCCN(C[C@@H]1C[C@@H]1C(=O)NN)OC	1928675097	JTRBQMLJJZAWIZ-YUMQZZPRSA-N	201.270	-0.114	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H](Cl)CF	1930556583	WAKMJIDCCWJXMO-YFKPBYRVSA-N	221.623	-0.634	50	10	BBGE	
C[C@H](CN)SCC1(C(=O)NN)CC1	1931267536	VSNQYDJSYVQPCM-ZCFIWIBFSA-N	203.311	-0.163	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CO)C2(CC2)C1	1935772087	OLQQACYVXGLYEA-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCc2c[nH]nc2C1	1936028710	JXVHIWLQGIPGID-RXMQYKEDSA-N	239.304	-0.621	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCCC1=O	1936091677	RQIWQVJZFGSZDS-NKWVEPMBSA-N	225.248	-0.849	50	10	BBGE	
COC[C@H]1CCCN1CC1(C(=O)NN)CC1	1938231407	WQQCCERMAFDSQL-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@]12COC[C@@H]1C2	1940891484	LTRSGIFNTYFFPW-IONNQARKSA-N	249.261	-0.420	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941090703	QDLAJEGHFMUSHJ-LXUNUROVSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)COCCN1CCO[C@@H]2CCC[C@@H]21	1941772294	HHUIFPMXXWZYDH-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@@H]1C(N)=O	1942617295	XCNUEHHUPFSJKO-KHQFGBGNSA-N	242.323	-0.659	50	10	BBGE	
O=C(CCNC(=O)c1ccco1)NNCCO	1944219894	NQIMJYWXKZTRMK-UHFFFAOYSA-N	241.247	-0.987	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)[C@H](C3CC3)C2)CC1	1945883234	WEYIJVGCKKCPEB-VHSXEESVSA-N	239.319	-0.541	50	10	BBGE	
CC[C@]1(C)CN([C@@H](COC)C(=O)NN)CCO1	1947269414	YYBAQFMCSYLQCV-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(=O)N1CCOC2(CCCCC2)C1	1947270537	IGUCXCIZLDJABU-UHFFFAOYSA-N	241.291	-0.462	50	10	BBGE	
COC(=O)c1cc([C@@H](N)[C@H](O)C#N)cn1C	1952933715	HGGOOUALGIQVJC-RKDXNWHRSA-N	223.232	-0.304	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCl	1954070487	ZFYLOYCGKQHDDS-QTTZVWFDSA-N	245.753	-0.035	50	10	BBGE	
NNC(=O)C(=O)NC1[C@H]2CCC[C@H]1CC2	1958604067	OOCGJZXUJKBTDW-BQBZGAKWSA-N	211.265	-0.329	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC2(CC2)CO1	1965258778	VZJUILDPSLNEFU-UHFFFAOYSA-N	247.059	-0.466	50	10	BBGE	
CC1(C)C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CO1	1972414462	QOZVVGMQTDRXEU-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(COC)C1	1978982671	RGZBJJDBDBVRMI-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
CP1(=O)CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1981160150	GRIWXIUITXVUKY-BDAKNGLRSA-N	245.263	-0.079	50	10	BBGE	
CON(C)c1ncc(B(O)O)c2ccsc12	1981468526	DBZUCIPFYQZRNW-UHFFFAOYSA-N	238.077	-0.026	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(c1nc(B(O)O)cs1)C2	1981473134	WQXCEZSLCYDJFD-RCOVLWMOSA-N	240.093	-0.810	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C1CC1	1987391782	QFQJKYBCFGZKPY-KXUCPTDWSA-N	227.308	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@H]2C1	1987898921	CPGUGJSJYBNECT-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CO)C12CC2	1988762865	XJGADMPJZXCHDA-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]1C(C)(C)O	1989119592	UQZLWSRPDJKEJE-XHNCKOQMSA-N	229.324	-0.154	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)C1(Cl)CCC1	1991680521	RBXXOVXQSJZIQV-YFKPBYRVSA-N	249.459	-0.810	50	10	BBGE	
COC(=O)C1(N)CC(NC(=O)[C@H]2C[C@@H]2Cl)C1	1991681763	DAPLGCXLQNBLDJ-HTYJUZMNSA-N	246.694	-0.237	50	10	BBGE	
CCCCN(C(=O)C(=O)NN)[C@H]1CCOC1	1991764095	WMGDHZWTZHNTKQ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC(F)(F)C1	1992146026	PKRJUEMRVDICTE-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
C=C(CN1C[C@@H]2CC[C@@H](OC)[C@H]2C1)B(O)O	1992160098	RRIZXZWWBPRDOQ-GARJFASQSA-N	225.097	-0.089	50	10	BBGE	
C=C(CN(C)C[C@@H]1OCCO[C@@H]1C)B(O)O	1992160543	XUMQVEOTIKOTCR-ZJUUUORDSA-N	229.085	-0.710	50	10	BBGE	
C=C(CN1C[C@@]23CC[C@]2(COC3)C1)B(O)O	1992166888	ALIBBDJBUNOLOM-GHMZBOCLSA-N	223.081	-0.333	50	10	BBGE	
NNC(=O)CCN1[C@@H](CO)CCC12CCC2	1994869714	ZTHGIMGSWDPBBQ-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC12CC(CO)C2	1997988085	UAJPDYKPOYIGAE-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(COCCO)CC1	2002249405	XVMAMVLQFJZXPE-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@](F)(C2)C1	2002872636	XBANUYJMOYDUOK-IQJOONFLSA-N	245.298	-0.185	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@]1(CC)CO	2003263927	CPXDBWSCVSTISS-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](n2cccn2)C1	2004327833	SDFAXFKIFSPQKP-SNVBAGLBSA-N	237.307	-0.100	50	10	BBGE	
Cc1nc(N2C[C@@H](F)C[C@@H]2C)ncc1B(O)O	2004977298	YVZGNNSMLIYKSN-XPUUQOCRSA-N	239.059	-0.598	50	10	BBGE	
C[C@H](CCOc1ccncc1B(O)O)N(C)C	2008234236	XKPXCTJYVRDUAY-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C=CCCC1	2008844487	OGCYNOVSUZVQQT-SNVBAGLBSA-N	233.076	-0.116	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2(C)CC2)CC1	2009277297	AZSZZCCPRCTKGB-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)N1C[C@H]2C[C@H]2C1	2020062270	PNHJCGRTWQFKOK-XKSSXDPKSA-N	236.080	-0.252	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H]1C1CC1	2022350862	DGLPQZHSQDSBNP-ZJUUUORDSA-N	233.076	-0.426	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2C2CC2)c(F)c1	2052604339	VPAZEDBKMVFXKH-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
Cc1ccccc1Cn1cccc(B(O)O)c1=O	2058156013	OIFQGIZHSRYZQK-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@@H]3COC[C@@H]32)c1	2066310035	PQXFCHIEQCVDPP-MNOVXSKESA-N	248.286	-0.484	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2cc[nH]c2c1	2077492396	MOQIPXZIORHITE-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
CC(C)(Nc1ncc(B(O)O)cn1)C(F)F	2212616041	YVZPJXQEBLJRTQ-UHFFFAOYSA-N	231.011	-0.388	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)C2)CCCCC1	2216872606	STIIJEVOOYMWBX-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](CCF)C2)c1	2217175607	LALSNGBLLYOVAT-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)C[C@H]1F	2217180297	GQCCHAGNPBKPJA-HTRCEHHLSA-N	242.034	-0.305	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]2C2CC2)[nH]c1	2217185433	XHMAQNKYKMLURF-PSASIEDQSA-N	233.080	-0.964	50	10	BBGE	
CC[C@@H](CN(C)C)Oc1cc(B(O)O)ccn1	2217191977	GHBMCTUZOCKGQB-JTQLQIEISA-N	238.096	-0.520	50	10	BBGE	
OCCCN(c1cc(B(O)O)ccn1)C1CC1	2217198585	DABWKNDWBGIAAW-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@@H]1CNC[C@H](Nc2ncccc2B(O)O)C1	2217199961	HDGSREPAGGEZSV-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
C[C@@]1(CCNc2cc(B(O)O)ccn2)CCN1	2217202482	XHZDQVSWSNWJFO-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
C[C@H](N(C)c1cc(B(O)O)ccn1)C(C)(C)O	2217203820	AQGDJIUYPLWVGE-QMMMGPOBSA-N	238.096	-0.643	50	10	BBGE	
CC(C)[C@H](O)CCNc1cc(B(O)O)ccn1	2217204845	PQGZNTRCGZWGCY-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@]23CCOC3)c1	2223636857	MXIPRUMJDOUKGD-BXKDBHETSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(N2C[C@H]3OCC[C@@H]3C2)cc1B(O)O	2223650708	PYSIITZKNDRABG-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@H]2CC(O)C3)c1	2223673151	DWERLFWQOMTAJE-UWVGGRQHSA-N	248.091	-0.747	50	10	BBGE	
Cc1cnc([C@H](C)Nc2ncc(B(O)O)cn2)o1	2223679951	WPOSJACKWOEUDT-ZETCQYMHSA-N	248.051	-0.374	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccsc2B(O)O)C1	2243359695	WLBPXTONMJORFD-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
CC[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2243373883	ATAFXSQCMIWQQZ-ZETCQYMHSA-N	222.053	-0.710	50	10	BBGE	
CNC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243381705	IRTMURPNRCDZBM-OCAPTIKFSA-N	226.085	-0.892	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243390988	FBKHFUJCSCJSQJ-BIIVOSGPSA-N	226.085	-0.813	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccncc1	2243404433	OAAFVIJBMRYVFU-QMMMGPOBSA-N	218.021	-0.726	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1csc(B(O)O)c1	2243406590	BEGWLORBVMHDOD-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2243409415	HMCPILREMVNSBO-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2F)c(B(O)O)s1	2243414544	CSLOXAFNHQRDND-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
C#CCC(=O)N[C@@H](C)c1cscc1B(O)O	2243685428	URJPBQPKMVFMLF-ZETCQYMHSA-N	237.089	-0.372	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@@H]1Cl	2243712031	CNHKAAIHCNHCSP-BQBZGAKWSA-N	240.455	-0.673	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(CC2)C1	2244206645	ZJWGBVZZJHYNLF-UHFFFAOYSA-N	221.021	-0.805	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1COC2(COC2)C1	2244361445	WUDAWQSAYIRTFL-SSDOTTSWSA-N	245.662	-0.018	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCCSC1	2244547795	FVQPBJDRFUKIAF-SECBINFHSA-N	241.121	-0.349	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(Cl)cn1)[C@@H](C)N	2245913229	OFWVMPUSHKCUJQ-RITPCOANSA-N	244.487	-0.471	50	10	BBGE	
OB(O)c1cccc(OCC[C@@H]2CCO2)c1	2246164973	NUDXJLYKYMXTFV-JTQLQIEISA-N	222.049	-0.076	50	10	BBGE	
CC(C)(C)OCCCCNC(=O)C#CB(O)O	2247743084	YWKIYOMBESJXBT-UHFFFAOYSA-N	241.096	-0.287	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@@H]1O)C1(B(O)O)CC1	2247751268	VROSQQDXAUBALE-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)C1(B(O)O)CCC1	2247759176	YTTIITFVPVYOQQ-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CC[C@@H](C[C@H](C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786528	BVXLHEYQDXAZPX-QEYWKRMJSA-N	243.112	-0.095	50	10	BBGE	
CN(c1cccnn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787226	MGIUTXZRUGHCAE-OCAPTIKFSA-N	235.052	-0.308	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247789715	ALFSNMJAACSXTE-HJGDQZAQSA-N	239.080	-0.513	50	10	BBGE	
CN1CC=C(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247791645	ODESSKHHPGFJKS-VHSXEESVSA-N	238.096	-0.773	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@H](C2CC2)C1	2247798305	SDYMMVVHZDNSCR-UTLUCORTSA-N	239.080	-0.513	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)C1CC(B(O)O)C1	2247800405	OSQZFIMSWKDKBT-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247806187	MRUFJNMHKNYEBU-AUXWQGHOSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247809239	YLMDQHFFGNDWHT-JXUBOQSCSA-N	240.112	-0.646	50	10	BBGE	
Cc1cc(C)nc(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247809606	ZXSHCCGKZMYLKQ-SFYZADRCSA-N	235.052	-0.105	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1coc(B(O)O)c1	2247870973	TZXAELUUWMWJEJ-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
O=C(NC1([C@H]2CCNC2)CC1)C1(B(O)O)CC1	2247872826	ZDOPJSRCXPSNOC-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CC12CC2	2247873569	DRURVRBAGMVKPA-MRVPVSSYSA-N	238.096	-0.667	50	10	BBGE	
O=C(NC1(C(F)F)COC1)[C@H]1C[C@@H](B(O)O)C1	2247892766	HMUBTQQJOXFPCH-OLQVQODUSA-N	249.022	-0.610	50	10	BBGE	
CN(CCCCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247894896	LWNMPVYDIZOSMH-AOOOYVTPSA-N	243.112	-0.140	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247895845	BTHZIRMCDTXKBE-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@H]12)[C@H]1C[C@H]1B(O)O	2247896568	ZTKAGZQJUILLMP-SGIHWFKDSA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1CNC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247904089	OSONMCHHWVHELB-NFTFJBJSSA-N	240.112	-0.646	50	10	BBGE	
CCCN(O)C(=O)Nc1cccc(B(O)O)c1	2247971176	MLLFZTKFOREAMH-UHFFFAOYSA-N	238.052	-0.001	50	10	BBGE	
Cc1cnc(O[C@@H]2C=CCOC2)cc1B(O)O	2249210486	FTGOCTAIIKLKEU-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1cocc1B(O)O	2249412093	UXSWNCNRJNTWQT-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
CC(C)CN(CCOCC(=O)NN)C[C@H](C)O	2250542824	LUDOEDNGWZNCGX-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
CON(CC1CC1)C(=O)c1cc(B(O)O)co1	2251007697	BRHHUQWEPFBJKJ-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
CN(CC[C@H]1CCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	2253141523	UKLMQUOFHJIKDW-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC1CC2(C1)CC(n1cc(B(O)O)cnc1=O)C2	2254486982	HGIIJXAOXUYCLE-UHFFFAOYSA-N	248.091	-0.326	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCC[C@H]2C1	2255444511	MKRPMGZINATQAX-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1ccc(B(O)O)o1	2255461402	HMTCTESWOBMAQJ-VGMNWLOBSA-N	249.075	-0.265	50	10	BBGE	
NC(=O)Nc1cccc(NC(=O)C#CB(O)O)c1	2255470117	YKSMJEUMUWAGHY-UHFFFAOYSA-N	247.019	-0.869	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2CCCC[C@H]21	2255472571	GPSXGDHJFGUONY-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@]23CCC[C@]2(COC3)C1	2255476335	JZGWHRLBCXIELC-TXEJJXNPSA-N	249.075	-0.969	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1occc1B(O)O	2255490529	JZEQOIVTHVYGEG-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ncncc1B(O)O	2255520551	LRDWJENIPYRVDO-QMMMGPOBSA-N	249.079	-0.925	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1C	2255682050	AYXXAPWOFLJRQM-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2cncc(B(O)O)c2)C1	2255710463	LBKGUVVNZDFDEO-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
C#CC[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2255726222	SYCGAEQRKURLFL-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
C/C=C/CNC(=O)c1c(OC)cccc1B(O)O	2255748078	WOJKVALXBJZVRS-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
CN(C)c1ccncc1NC(=O)[C@H]1C[C@@H]1B(O)O	2255775078	UPAAGAVIBDRPIT-YUMQZZPRSA-N	249.079	-0.051	50	10	BBGE	
Cc1cnc(CNC(=O)C2CC(B(O)O)C2)cn1	2255788603	SGRRBYVYTYSBKP-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1nccnc1B(O)O	2256045473	LVHJAQGXMJXEGU-HQJQHLMTSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]1CC1CC1	2258127416	IYPJQBWWNFRFGM-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cc(B(O)O)co1	2258135826	UTYFIWMBSZLATN-CDDJKKQXSA-N	247.059	-0.656	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298371159	BESDLIBHNNFRQD-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@H]1COC2(CCC2)C1)[C@H]1C[C@H]1B(O)O	2298376542	AWHIIDIZPJNGGI-HRDYMLBCSA-N	239.080	-0.323	50	10	BBGE	
NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377351	NRIIVWIYYQUVGW-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](O)CCNc1ccc(B(O)O)cc1C#N	2301342257	WUFWRNDLODPZCU-QMMMGPOBSA-N	234.064	-0.579	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303111884	NOFGUQVUDKHOLZ-YWVKMMECSA-N	241.096	-0.266	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@]12COC[C@H]1C2	2317152083	XZSRHWRHNZKMAK-BXKDBHETSA-N	244.059	-0.561	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317312297	FACLRWDTAHVLIR-RYUDHWBXSA-N	249.075	-0.563	50	10	BBGE	
CCNC=C(C#N)C(=O)N[C@H](C)C(=O)O	2324969573	JLWLBBMUROMYND-ZCFIWIBFSA-N	211.221	-0.407	50	10	BBGE	
COCC(=O)NNS(=O)(=O)c1ccccc1	4957275	ZCPWIRWKZZAANF-UHFFFAOYSA-N	244.272	-0.358	50	10	BBGE	
CCCN(CC(=O)NC)C(=O)NC(=O)CCl	42407348	NQXPXUHIFZOZEG-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CC[C@H](C)N1CCN(CC(=O)NN)CC1	82468609	GWIKLIJALJUCJO-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CN(C)[C@@H]1CCCN(CC(=O)NN)C1	84420986	QEAJAAQYELXFRG-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H](Cc1cccc(B(O)O)c1)NC=O	208612593	ZGBYAJPRNGJTJY-QMMMGPOBSA-N	207.038	-0.957	50	10	BBGE	
CC(C)C(C)(C)CNC(=O)C(=O)NN	232602848	ITYCAKVHJMPERO-UHFFFAOYSA-N	201.270	-0.225	50	10	BBGE	
Cc1cnc(-n2cccc2)c(B(O)O)c1	238487633	ZQPBUHCYQSOGEO-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
COC(=O)C1=NC=CN2CC(C=O)=CN=C12	259726138	QMCWXUMXEUXYKM-UHFFFAOYSA-N	219.200	-0.118	50	10	BBGE	
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(C)=O	299251419	ZKGDJEATMRXTFL-QMMMGPOBSA-N	245.279	-0.076	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@H]1O	299963864	CMANOGZBFMSHKB-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
COC(=O)[C@H](Br)CNC[C@@H](C)O	300011671	WRFFCZQZNRQEGS-PHDIDXHHSA-N	240.097	-0.107	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1CCCO	300021869	XLFQKRKDMMODPC-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CC(=O)NNC1CCS(=O)(=O)CC1	306322329	YPULRDOIGKCNBF-UHFFFAOYSA-N	206.267	-0.796	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1C[C@@H](C)C(=O)NN	309753695	BLKAVWXQODALFK-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
NC(=O)CC(=O)NNc1nncc(N)c1Cl	381111997	GEGUGIHWEQLDTG-UHFFFAOYSA-N	244.642	-0.969	50	10	BBGE	
CN(C(=O)CCBr)c1nnnn1C	382133082	ARPJHWZEFYDCRS-UHFFFAOYSA-N	248.084	-0.042	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](CO)CC1	382169251	VTZRQRDAHAHHPQ-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CN(CCCCO)CC(C)(C)C(=O)NN	384831250	XRERRMFFDZWLDS-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
CC(=O)NNC(=O)c1c(C)nn(C)c1N	389718622	OSGFMHYPXOGCRV-UHFFFAOYSA-N	211.225	-0.908	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@H]1CCCOC1	402709592	RTHPNJFNPIOHLO-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
Cc1nocc1C(=O)Nc1ccnc(B(O)O)c1	404952772	TYADGHXUFZRSIF-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)C(F)F	405024520	ZFCBKTURGAFXEH-UHFFFAOYSA-N	214.964	-0.430	50	10	BBGE	
C[C@H](CO)CN(C)CCCCC(=O)NN	688394273	FSUWXUPZPMLADZ-VIFPVBQESA-N	217.313	-0.293	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCC[C@@H]1O	689815945	KLYHIXTYAAOIMJ-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@H]21	693088852	IWMFPTAQZIHIBY-KATARQTJSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)c1ccccc1OCCn1ccnn1	699018921	OIQIIVCTRVHDRE-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(CC(N)=O)CC1	700819903	IAMCQBMDTGVVHK-QMMMGPOBSA-N	230.699	-0.780	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CC(c2ccccc2)=NO1	700852522	JNXYUBOSNHQUHU-SECBINFHSA-N	248.242	-0.121	50	10	BBGE	
NNC(=O)CCCCn1ccnc1[N+](=O)[O-]	702729954	LLAPFTPFDAHYOE-UHFFFAOYSA-N	227.224	-0.049	50	10	BBGE	
CC[C@H](O[C@@H]1COC[C@H]1C)C(=O)NN	703542197	DLJAUKSZGWEHJK-GJMOJQLCSA-N	202.254	-0.194	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1N(C)CC(=O)NN	710954881	SMCLWWUNWXKVOG-DTWKUNHWSA-N	215.297	-0.421	50	10	BBGE	
CS(=O)(=O)N[C@@H]1COCC[C@@H]1Cl	711014139	GWHBDMWHWCBXBV-NTSWFWBYSA-N	213.686	-0.068	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H](F)[C@@H](F)C2)on1	714557629	FPWVAAFQBJATMF-BQBZGAKWSA-N	246.217	-0.230	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)C[C@@H](C)CCl	718218363	OPHUTMGMOFQGRX-YUMQZZPRSA-N	239.724	-0.225	50	10	BBGE	
C[C@H]1CN(Cc2nsc(C(=O)NN)n2)[C@@H]1C	724321928	CYWWZWWOUGBACE-NTSWFWBYSA-N	241.320	-0.018	50	10	BBGE	
CCNC(=O)N(C)NC(=O)COCC(F)F	860668129	NPKNBQJWXKIYJN-UHFFFAOYSA-N	239.222	-0.039	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@]12CCCN(CC1)C2	900427767	OQRAMMMAUCUBDL-NSHDSACASA-N	240.307	-0.225	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NNC(=O)NC	906393467	BJJYNZWDPNRKLZ-RRKCRQDMSA-N	215.253	-0.382	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C	1136416491	SOAPAFZSDFEDRU-LURJTMIESA-N	245.283	-0.970	50	10	BBGE	
NC(=O)CCCCC(=O)NNC(=O)C1CC1	1255632031	DMZGAGMQXXTJDU-UHFFFAOYSA-N	227.264	-0.411	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2cccnn2)co1	1288360557	SRRDNIGZPCDUFS-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)CC(F)F	1307462071	QZUXRELFCHEFSS-UHFFFAOYSA-N	237.250	-0.013	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnn(CC)n1	1330333845	IQLYKRWSOUNXLK-UHFFFAOYSA-N	226.240	-0.738	50	10	BBGE	
CNC(=O)NNC(=O)C12CCN(CC1)C2	1339053746	LWPJHJIVGBHDHK-UHFFFAOYSA-N	212.253	-0.958	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)c1cccnn1	1350828172	QIMMKULYSDYDES-UHFFFAOYSA-N	245.242	-0.110	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NNC(=O)c1cnn[nH]1	1464920397	QTIPRUIOHZJCBP-ULAWRXDQSA-N	249.274	-0.142	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1556228823	YKWSEWXGNASCIT-PHDIDXHHSA-N	211.221	-0.936	50	10	BBGE	
Cn1cc(C#N)c(=O)n(C/C=C\C#N)c1=O	1559353417	CULWIBFNHHOEJG-IHWYPQMZSA-N	216.200	-0.502	50	10	BBGE	
O[C@H]1COC[C@@H]1n1cc(CCCl)nn1	1615904073	VBIRWEUMKLJFNW-YUMQZZPRSA-N	217.656	-0.008	50	10	BBGE	
Cn1ccc(C(=O)NNc2nc[nH]n2)n1	1638767001	LGWZPOWUKWVZLM-UHFFFAOYSA-N	207.197	-0.705	50	10	BBGE	
N=c1[nH][nH]c(=N[C@H]2C[C@@H](Br)C2)[nH]1	1880958003	DMFXBTMCHBWVEM-ZXZARUISSA-N	232.085	-0.023	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@@H]2C[C@@H]2Br)CN1	1883532868	LMJVOPAOKWTPAF-JKUQZMGJSA-N	247.092	-0.226	50	10	BBGE	
N#CCNC(=O)CNC[C@@H]1C[C@H]1Cl	1883551967	LJNPNWSXGAVYRQ-NKWVEPMBSA-N	201.657	-0.157	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@@H]1NC(=O)F	1884249813	OKDJZSGZUKCIIP-CRCLSJGQSA-N	211.214	-0.523	50	10	BBGE	
C[C@@H](Cl)C(=O)NN(C)S(C)(=O)=O	1888562221	RDPKMZDLZGAGCO-SCSAIBSYSA-N	214.674	-0.464	50	10	BBGE	
O=C(O)[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl	1893097288	AYJCIPKNURYFEI-PRJMDXOYSA-N	218.684	-0.028	50	10	BBGE	
CN=c1nc[nH]c(=NC[C@@H]2C[C@H]2Cl)[nH]1	1893098916	LRGOKHWILNUVMK-NTSWFWBYSA-N	213.672	-0.204	50	10	BBGE	
C[C@@H](CN(C)C)N(C)CCC(=O)NN	1893428640	FHKGYERIQPNUMT-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
C[S@@](=O)(CCN)=NC(=O)/C=C/C(=O)Cl	1893497988	NTRFDDOBSCYCKS-BAABZTOOSA-N	238.696	-0.109	50	10	BBGE	
C=C(CN1CCO[C@H](CF)C1)B(O)O	1895097450	QEELLOFXMXIRFO-MRVPVSSYSA-N	203.022	-0.775	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC[C@@H]2C[C@H]12	1896021848	AYXHNVSRJHHRAY-DJLDLDEBSA-N	225.292	-0.081	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12CCOC[C@@H]1C2	1896978386	CTEHSIDDXZAWGJ-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CCC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1CO	1897989133	SMZVUDJHCYMBNS-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(O)CSc1nccc(B(O)O)c1F	1900198816	NMWAQRIUQPHKLW-UHFFFAOYSA-N	245.084	-0.237	50	10	BBGE	
CC1(C)COC[C@H]1Cn1ccc(B(O)O)n1	1901102919	RBIJBNWRESNPQZ-MRVPVSSYSA-N	224.069	-0.765	50	10	BBGE	
CN(NC(=O)C1(CN)CC1)S(=O)(=O)C1CC1	1901340454	FDGSOULQEPSLOL-UHFFFAOYSA-N	247.320	-0.820	50	10	BBGE	
CN(NC(=O)C(C)(C)N)S(=O)(=O)C1CCC1	1901349141	VAAZEDSERJJPJI-UHFFFAOYSA-N	249.336	-0.431	50	10	BBGE	
COCC(COC)N1CC[C@@](C)(B(O)O)C1	1902550955	NQQHNZSXCRHFOW-SNVBAGLBSA-N	231.101	-0.413	50	10	BBGE	
C[C@@H](CCO)Nc1cc(B(O)O)c(F)cn1	1903006066	OMUWTHNJQHINJG-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
COC(=O)NC1CN(C(=O)C=CC(=O)Cl)C1	1904740964	FROKMBDXUXMGHR-UHFFFAOYSA-N	246.650	-0.125	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1907072245	HVEVJUZXYMRVMN-HNBLOZHYSA-N	230.076	-0.394	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CCC(F)(F)C(=O)NN	1908890934	QVQQZDVRFHKQHK-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
CCN(CCC(=O)NN)S(=O)(=O)C(C)C	1913444452	UNHBOMMRGYCRFD-UHFFFAOYSA-N	237.325	-0.574	50	10	BBGE	
C=C1COC[C@H]1N=c1[nH]c(CCl)nc(=N)[nH]1	1918867759	GBDOFLUNIZWSNX-ZCFIWIBFSA-N	241.682	-0.188	50	10	BBGE	
O=S(=O)(C1COC1)N1CC(CCl)C1	1923173290	TVZWQZHHXJGEDF-UHFFFAOYSA-N	225.697	-0.114	50	10	BBGE	
C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C(N)=O	1923412255	JVGADZQGWANNTH-RXMQYKEDSA-N	246.267	-0.401	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NS(=O)(=O)N(C)C)C1	1928752016	YLDUYURELSZSGG-RNFRBKRXSA-N	241.744	-0.696	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1CCC(=O)NN	1930115491	HBUVQKVKHLBQGC-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CCC[C@H]1Cn1cc(B(O)O)cn1	1930302861	HTJIGMJDSSTFLT-IUCAKERBSA-N	208.070	-0.001	50	10	BBGE	
NNC(=O)N1CC[C@H]2OCCO[C@@H]2C1	1931634015	BEKXQAWRJNUDKH-RNFRBKRXSA-N	201.226	-0.941	50	10	BBGE	
COC[C@H](NCC=CCCl)C(N)=O	1932162860	ATBXZEZFDYSDRU-ZETCQYMHSA-N	206.673	-0.129	50	10	BBGE	
CSC1CN(C[C@H](C)C(=O)NN)C1	1933239630	OFQVHFCQYIFYLT-LURJTMIESA-N	203.311	-0.340	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)CCCO1	1935945855	WYSOMHOBJRWUAC-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1936027483	YAPIDOKBQUBLJU-VGMNWLOBSA-N	233.287	-0.450	50	10	BBGE	
CN(C)CCCN(C)C[C@H]1C[C@H]1C(=O)NN	1936095126	UFXHPIHWXMOUSC-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1C(F)(F)F	1937817184	VPSSJPKHIRLBDO-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938246553	JKYGIMDPHSDORP-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC[C@H]3C[C@H]2CO3)n1	1940763207	RBSIEJFTGRTPBD-UTLUCORTSA-N	236.080	-0.622	50	10	BBGE	
CN1CC(N(C)Cc2ccc(B(O)O)cc2)C1	1941731465	PAQGRVBIZFEJHV-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
CCON(C)Cc1cc(B(O)O)ccc1OC	1942614867	BAWFGKLBKUKMPB-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
NNC(=O)c1occc1CN1CC(CCO)C1	1946934794	YSNWWJLIHQUFPR-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
OB(O)c1ccn(CCN2CCCCCC2)n1	1949383210	NYAMXXGTCOBYHN-UHFFFAOYSA-N	237.112	-0.561	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCO[C@H]1C(N)=O	1957175194	LCTQIJCHTHPUKK-NGJCXOISSA-N	220.656	-0.627	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1957675151	NSUOSBZPJAMKEB-VXJOIVPMSA-N	233.337	-0.935	50	10	BBGE	
OB(O)c1ccc(N2CC(CF)C2)nc1	1961691088	MMCFQHLGIWFRML-UHFFFAOYSA-N	210.017	-0.833	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(F)(CO)CC1	1975533045	YEPQFMKVKVULEA-MRVPVSSYSA-N	233.287	-0.449	50	10	BBGE	
Cc1nn(-c2nc(B(O)O)cs2)c(C)c1C	1981454427	JLWSZPHQMDWVPP-UHFFFAOYSA-N	237.093	-0.066	50	10	BBGE	
CC[C@H]1CN(c2nc(B(O)O)cs2)CCO1	1981471994	MIXHWDPNKFUHRP-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
CO[C@@H](C)COCc1nsc(C(=O)NN)n1	1986049908	XZBKJEBMMSREDX-YFKPBYRVSA-N	246.292	-0.307	50	10	BBGE	
O=C1NC(=O)[C@@H](C2CN(C(=O)CCCl)C2)N1	1986669482	LMAVHQWKHATHBP-SSDOTTSWSA-N	245.666	-0.718	50	10	BBGE	
COC12CC(C1)N([C@@H](C)[C@H](C)C(=O)NN)C2	1986831769	UKVOXAHPYUSKDW-PCWJGIJCSA-N	227.308	-0.136	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1COCC1(F)F	1991604944	VNCVVVRNRHIJND-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@H](C1)O2)C(=O)NN	1992324272	XRWZGRMFLRTNNR-DTORHVGOSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1c1ncon1	2004033815	WXFVVHGQBCTOQI-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCOC1	2004392328	BYIATEIHMVNPQP-RKDXNWHRSA-N	241.291	-0.606	50	10	BBGE	
CN(Cc1cocn1)c1ccncc1B(O)O	2004911528	ICPCOYJDVWUMSU-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CCOCCN(C)c1cc(C)c(B(O)O)cn1	2004918149	HXNYHKOHUWITFZ-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)c1ncccc1B(O)O	2004934090	BTAAFGXWUPMPFL-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)c1ncccc1B(O)O	2004934091	BTAAFGXWUPMPFL-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H](CCO)C1	2005060629	LYTFYDCNUPAZIU-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)CC(F)(F)C(=O)NN	2006199317	QXBVIXGSAQIQMV-HTQZYQBOSA-N	249.261	-0.564	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC(O)CC2)C1	2010834310	BFJHRMWPABOZHB-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN(CCCCC(=O)NN)C1COCCOC1	2014499985	HKABGKJVRLNFHR-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)CCn1ncc2c(c1=O)CCCC2	2019914563	BVVMOPBKCUDKKW-UHFFFAOYSA-N	236.275	-0.498	50	10	BBGE	
C=C(C)C(=O)NCCc1cccc(B(O)O)c1	2025202382	CTZDNPBPMVPGBR-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@@H]3C[C@@H]32)nc1	2026059403	ICEBIJPCAZJJGX-FKTZTGRPSA-N	234.064	-0.276	50	10	BBGE	
NNC(=O)c1coc(CN2C(=O)[C@H]3C=C[C@H]2C3)n1	2042502268	GVQKAGCYZACXFM-BQBZGAKWSA-N	248.242	-0.435	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC=C[C@@H](O)C1	2046610584	HLLAMQQPPGQFTI-SECBINFHSA-N	248.286	-0.582	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC=C[C@H]1CO	2056277060	KVINIQBCASQNLU-RYUDHWBXSA-N	247.298	-0.050	50	10	BBGE	
COc1cc(B(O)O)c(Cl)c([N+](=O)[O-])c1	2060016230	UBXQHHGKLPRLFW-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ncc[nH]1	2077804361	ZOJUPVYKQXJBCE-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2079010589	QVJUUMVOZOFWQB-UWVGGRQHSA-N	243.071	-0.233	50	10	BBGE	
Cn1nc(Br)c(C=CB(O)O)n1	2209032722	XJHDLLCPXVBJJN-UHFFFAOYSA-N	231.846	-0.397	50	10	BBGE	
OB(O)c1cscc1CN1C[C@H]2COC[C@H]21	2211137058	ADZRDQSWPXJNBI-OIBJUYFYSA-N	239.105	-0.742	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1=O	2211838723	KPZHIMMHXPBUII-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H](O)C1CN(CC2(C(=O)NN)CCC2)C1	2212248257	UUQJASXCVYBBAZ-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
Cc1cnc(N(C)CCC#N)cc1B(O)O	2212605110	XXWFZPMREJFZPF-UHFFFAOYSA-N	219.053	-0.580	50	10	BBGE	
CC[C@@H](COC)Oc1cc(B(O)O)ccn1	2212606752	ZISNXILYUGJLMK-VIFPVBQESA-N	225.053	-0.435	50	10	BBGE	
C=CC[C@@H](CO)Nc1ncccc1B(O)O	2212614792	HGZQVVQAEGMKMM-QMMMGPOBSA-N	222.053	-0.890	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@H]1CC[C@@H]1C(=O)NN	2215776772	OVMGQTYBGLVWMF-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@H](CCO)C1	2215778277	YHOOEJJLTNYIAG-MXWKQRLJSA-N	241.335	-0.293	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1Nc1ccc(B(O)O)cn1	2217177256	HGCXSEIWXFPASO-BDAKNGLRSA-N	236.080	-0.667	50	10	BBGE	
Cc1cnc(NC2[C@H]3COC[C@H]23)cc1B(O)O	2217182008	XWORVIJKWZSKRG-YUMQZZPRSA-N	234.064	-0.873	50	10	BBGE	
CC(C)[C@@H](O)CCN=c1ccc(B(O)O)c[nH]1	2217197583	OCCQCOXVKRTVIY-JTQLQIEISA-N	238.096	-0.998	50	10	BBGE	
COC[C@H]1C[C@@H]1CNc1ncccc1B(O)O	2217198639	DPIOMRQDGZPQRZ-RKDXNWHRSA-N	236.080	-0.544	50	10	BBGE	
CC[C@H]1C[C@H](Nc2ncccc2B(O)O)CO1	2217198896	HRESAXYBWAKHKZ-IUCAKERBSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCOC[C@H]2C3)c1	2217201828	RVVDGTDUVYWYJV-LDYMZIIASA-N	234.064	-0.648	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@H](F)C2)nc1	2217202024	UBCHLDZJRBDWKU-DTWKUNHWSA-N	239.059	-0.151	50	10	BBGE	
CN1CCC[C@H](CNc2ncccc2B(O)O)C1	2223633040	RCCDMPKXKFXHJG-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@H]3CN[C@@H](C3)C2)nc1	2223640703	MPFHGLICBDJFME-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
Cc1cnc(NC2CC3(CNC3)C2)cc1B(O)O	2223642842	OCPGDHRZQFVIDE-UHFFFAOYSA-N	247.107	-0.766	50	10	BBGE	
CN(C)C[C@H]1C[C@H](Nc2ncccc2B(O)O)C1	2223673056	DIJYJOHLELTJBS-MGCOHNPYSA-N	249.123	-0.487	50	10	BBGE	
CN1C[C@H](Nc2ccc(B(O)O)cn2)C(C)(C)C1	2223675308	VDZYCIULDFMELM-JTQLQIEISA-N	249.123	-0.487	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2241480005	HDRFACKLTBDGEW-DBRKOABJSA-N	201.006	-0.534	50	10	BBGE	
CCCCN(O)C(=O)[C@H]1C[C@@H]1B(O)O	2241481058	QRTXFMCQWNGAPL-BQBZGAKWSA-N	201.031	-0.133	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1nscc1B(O)O	2243348219	VIRHHFJCDVKYPP-ZCFIWIBFSA-N	240.093	-0.649	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]1C1CCC1	2243356467	IFYOQVNEZFUUPB-JTQLQIEISA-N	221.065	-0.207	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396809	QXLDCEUJLJJPHE-XLPZGREQSA-N	227.069	-0.779	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@@H]2C[C@@H]12	2243398079	BMZBTIGDGDXTEW-AEJSXWLSSA-N	221.065	-0.446	50	10	BBGE	
CSCCC1CC(NC(=O)C#CB(O)O)C1	2243400720	GXTULZHOCVEVDB-UHFFFAOYSA-N	241.121	-0.350	50	10	BBGE	
O=C(NCC(F)(F)F)c1ccc(B(O)O)o1	2243401478	RQVRDLDLNWOTSV-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
CN(C)NC(=O)c1c(Cl)cccc1B(O)O	2243408424	MYQPMTREUUMEHB-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
C[C@H](NC(=O)c1nscc1B(O)O)C1CC1	2243409373	GTEVKWVYZIGUBA-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
C=C(CS(=O)(=O)N[C@]1(C)C=CCC1)B(O)O	2243412582	PTBBOJRHTUQSGL-SECBINFHSA-N	245.109	-0.417	50	10	BBGE	
COCCCNC(=O)c1cc(B(O)O)cs1	2243420699	XNAXSKPSMUJGEL-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)[C@H]1C[C@@H]1B(O)O	2243426976	OITCRNOQCLAMHC-VGMNWLOBSA-N	226.085	-0.892	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CC1	2243752449	IRVUHJMARIMKPT-ZCFIWIBFSA-N	229.041	-0.685	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)co1	2244206183	SPYSJDIKRJIQEY-QMMMGPOBSA-N	221.021	-0.592	50	10	BBGE	
CC[C@@](C)(OC)C(=O)NCCC#CB(O)O	2244547003	UKEQJBBSUXMFBX-SNVBAGLBSA-N	227.069	-0.677	50	10	BBGE	
CCCc1cnn(CCC(=O)NN)c(=O)c1	2245079108	OLKSJRNVGFHBRG-UHFFFAOYSA-N	224.264	-0.424	50	10	BBGE	
CC[C@@H](CO)Nc1cc(B(O)O)c(Cl)cn1	2245913688	WESPSPFFUMWVHD-LURJTMIESA-N	244.487	-0.402	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C(=O)C[C@H]1C	2247724561	ZUZFKMBJOZYTER-RXMQYKEDSA-N	237.020	-0.971	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)C1(B(O)O)CCC1	2247733933	FAVJPXGVVFWGJF-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C#C[C@H](NC(=O)C#CB(O)O)C1CCCCC1	2247738987	XKBYAMOJXIOKBC-NSHDSACASA-N	233.076	-0.300	50	10	BBGE	
N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2247798980	YVAOYAAOJVIBRT-BDAKNGLRSA-N	231.020	-0.245	50	10	BBGE	
Cc1[nH][nH]c(=NC(=O)[C@H]2C[C@H](B(O)O)C2)c1C	2247799873	JECNOXGKFDPLAM-ZKCHVHJHSA-N	237.068	-0.360	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCNC1	2247800932	VCRVHCZTEPQDNZ-DKEVHCRPSA-N	240.112	-0.646	50	10	BBGE	
CCN1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247809282	OQCLJHKNCLVKAB-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
CCC(CC)(CN)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247810065	ULTRSTRPCCQVEA-BDAKNGLRSA-N	242.128	-0.175	50	10	BBGE	
CC1=C(C)CN(C(=O)c2ccc(B(O)O)o2)C1	2247846940	OXAOQWYORQYWSA-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	2247847843	CECWLGVDXYASPK-YOQJGNTNSA-N	233.076	-0.447	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1N(C)C(=O)C#CB(O)O	2247848303	JYYFSHIGTWMVKB-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]1C(F)F	2247848397	LKOYECQGRFMZMZ-ZETCQYMHSA-N	244.006	-0.826	50	10	BBGE	
COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247854779	IHGZGKJRUCHYPC-FXQIFTODSA-N	243.068	-0.693	50	10	BBGE	
O=C(NCC12CC(CCO1)C2)[C@@H]1C[C@H]1B(O)O	2247887348	MYYMQQSBRWKVFV-VCZAYRLQSA-N	239.080	-0.465	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@@H](N)C1	2247888205	XCHXOSAEGUUXKF-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
CO[C@@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247893702	WRMZVCGJPPCBFW-YDYPAMBWSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897055	NMZCJLHTIHWVBO-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
Cc1cccnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247897078	NRNXGZWHXGKPEE-DTWKUNHWSA-N	234.064	-0.131	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C(=O)C(F)F	2248414284	HQVYRZUEOKQFHB-UHFFFAOYSA-N	243.018	-0.410	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2nc[nH]c12	2248556645	BFLHMUCBAXQMNF-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586454	AZWVMDSDKNGVJG-NYNCVSEMSA-N	241.052	-0.685	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1cc(B(O)O)co1	2249409243	TYLUWSMULHXPKZ-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
C[C@@H](CNC(=O)c1cocc1B(O)O)C1CC1	2249415605	GQGHPVMARJMGCN-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1(C)CC1	2249424878	YOJXIGOZJGFHFZ-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NCCC#CB(O)O)O1	2250006447	LMVWODDEXANAIS-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
Cc1nccc(CNC(=O)C2(B(O)O)CCC2)n1	2255457623	GQLIXGVQZKWLOR-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
O=C(NCc1cccnc1)c1occc1B(O)O	2255488644	HVENQEVXRALQLA-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cn2)C1	2255521704	ZJAFVJXDAQVAJG-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
CC1CC(N(C)C(=O)c2cncc(B(O)O)c2)C1	2255522545	LETYUCPWNZSXCE-UHFFFAOYSA-N	248.091	-0.368	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3CC[C@@H]32)oc1B(O)O	2255682041	AULPCRXCORCKGG-IUCAKERBSA-N	249.075	-0.108	50	10	BBGE	
CC1(CCNC(=O)c2cncc(B(O)O)c2)CC1	2255722947	VYFQPYKDPQQFEG-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ccncc1B(O)O	2255732868	BVSXVDSZBSGQCT-OVYXKVPISA-N	246.075	-0.710	50	10	BBGE	
C=CC=CCCNC(=O)c1ncncc1B(O)O	2255735790	ANBIYNALHYBIRA-UHFFFAOYSA-N	247.063	-0.982	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2298004339	DGPQGHBQQZOTTI-DTHBNOIPSA-N	241.335	-0.010	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	2298004444	GAWFNHVCGMKDLJ-SSSAOXCUSA-N	239.319	-0.542	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165640	OVMGQTYBGLVWMF-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1coc(B(O)O)c1	2298367491	IXABMPBUSDCVDG-YEPSODPASA-N	235.048	-0.512	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)CO	2298371189	CBLZHUCLLOANNS-YSSBGUOXSA-N	241.096	-0.674	50	10	BBGE	
CO[C@H]1C[C@H](O[C@H](C)CC(=O)NN)C[C@H]1OC	2300920159	CZEDHABSTXCEHV-KYXWUPHJSA-N	246.307	-0.036	50	10	BBGE	
C=C1CON(c2ccc(B(O)O)cc2C#N)C1	2301342398	YMNCQSOYWPWWQL-UHFFFAOYSA-N	230.032	-0.454	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC([C@H](F)CO)C1	2302054421	DRDPQECWWWZFET-PSASIEDQSA-N	247.314	-0.203	50	10	BBGE	
CO[C@@H]1[C@H](OC)CN(CCC(=O)NN)[C@H]1CF	2302218458	UYKIVALJCUDGRR-XKSSXDPKSA-N	249.286	-0.950	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@H](F)C1)C(=O)NN	2303410913	QTOSDJIDNBCHFL-WCABBAIRSA-N	247.314	-0.203	50	10	BBGE	
CC[C@](C)(CN1CCOC[C@@H](O)C1)C(=O)NN	2303424876	WRKZNWGZDRMQGF-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
C=CC[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2304011243	LCZMBDAQSABCMP-DTWKUNHWSA-N	239.080	-0.299	50	10	BBGE	
CN(C[C@H]1C[C@@H](F)C1)c1ncccc1B(O)O	2307288121	MGFOZNGSXPKVIJ-DTORHVGOSA-N	238.071	-0.054	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@@H]2CO3)nc1	2312743375	WYWNFEUHABOFBJ-FKTZTGRPSA-N	249.079	-0.864	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313169433	ABKWZPFQZBCPFR-AEJSXWLSSA-N	248.091	-0.641	50	10	BBGE	
CC(C)[C@@H](N)COc1ccc(B(O)O)cc1C#N	2317208019	HJPMUFHRUHSPEA-NSHDSACASA-N	248.091	-0.400	50	10	BBGE	
NNC(=O)CN(C(N)=S)c1ccccc1	33846733	USWPJLCFRGELLY-UHFFFAOYSA-N	224.289	-0.274	50	10	BBGE	
C[C@@H](Br)C(=O)NC(C)(CO)CO	58854301	YXYRLNBUMHBUCO-RXMQYKEDSA-N	240.097	-0.371	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCNC(=O)CC1	62101069	KCXLHOVGMMAZDY-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)CCOC	82470552	RHLIGDNRDBEQKJ-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC[C@@H](C)N1CCN([C@H](C)C(=O)NN)CC1	82471111	CXIZZVJXQKXWQD-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCN(CCCCC(=O)NN)CC(=O)N(C)C	104115356	TYEHUQZFMKHRGT-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H]2CC[C@@H]1CC(O)C2	104258770	HISMVFPYFMKWOW-RKDXNWHRSA-N	241.291	-0.859	50	10	BBGE	
NNC(=O)c1cccc(CN2C(=O)CCC2=O)c1	110579171	YMHLILUUISJCEL-UHFFFAOYSA-N	247.254	-0.061	50	10	BBGE	
COCCOCCO[C@@H](C)CCC(=O)NN	125983257	SGGAMOZUGITBEQ-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C[C@H](Cl)C#N	139560969	FMIPDXUXNQMEPC-HTQZYQBOSA-N	231.683	-0.436	50	10	BBGE	
COc1ccc(=O)n(CCCC(=O)NN)n1	157675461	JWNAOGNLJABDQQ-UHFFFAOYSA-N	226.236	-0.978	50	10	BBGE	
[N-]=[N+]=NCC(=O)NCc1ccc(B(O)O)cc1	198034181	LQRORLWEKHFVER-UHFFFAOYSA-N	234.024	-0.707	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCCN(C)C	203392470	DNDDTZRURJWWDA-UHFFFAOYSA-N	223.081	-0.385	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1c[nH]nn1	234558589	JJZJGGRVIAWZHQ-SCSAIBSYSA-N	232.627	-0.685	50	10	BBGE	
C[C@@H]1C[C@@H](N2CC(=O)OC(=O)C2)CCO1	235345309	HRFITZUCMXFVTC-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
CCN(C)c1cc(B(O)O)cnc1Cl	238239918	JAORPDLUKRMDMC-UHFFFAOYSA-N	214.461	-0.129	50	10	BBGE	
COC(=O)c1ccc(F)c(B(O)O)c1C	238389992	CCVKBSSHARCSIC-UHFFFAOYSA-N	211.985	-0.399	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CC[C@H]1N	251553766	BFMAMQYSWRCJPH-NXEZZACHSA-N	242.323	-0.787	50	10	BBGE	
C=CCN(C)C(=O)NNC(=O)[C@H]1COCCO1	275034314	TXKADUCCMZJWNY-MRVPVSSYSA-N	243.263	-0.740	50	10	BBGE	
NNC(=O)[C@@H](SCC(N)=O)c1ccccc1	300828817	OFKPKECHHKNXBN-VIFPVBQESA-N	239.300	-0.064	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	304479356	BPNSWODONWDFLQ-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@](O)(C(N)=O)C1	306948249	SETRIXVLWMZLSF-IMTBSYHQSA-N	234.683	-0.548	50	10	BBGE	
C[Si](C)(C)OC(=O)CC[C@H](N)C(N)=O	308599073	UCNLRTUZWUOIRN-LURJTMIESA-N	218.329	-0.043	50	10	BBGE	
CSC[C@H]1CCCN(C(=O)C(=O)NN)C1	309015860	ZKYPGOTVVKMOTM-ZETCQYMHSA-N	231.321	-0.422	50	10	BBGE	
COC(=O)CNc1nc(N)nc(CCCl)n1	309347048	ZGFPYOMPIQDSHG-UHFFFAOYSA-N	245.670	-0.180	50	10	BBGE	
O=C(CCCCl)N[C@H]1COC[C@H]1O	323111411	HJHPMXURSAPTIF-NKWVEPMBSA-N	207.657	-0.119	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@H]3C2)n1	380325562	KHRWZTJGXQTIMC-KNVOCYPGSA-N	222.248	-0.270	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C(C)(C)C1)C(=O)NN	388188130	ORWDFQSOSNFIEP-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1C#N	396097254	NFRDXSASMOOQDA-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
Nc1sc2ccc(CO)cc2c1B(O)O	396239488	GDUHPQLMYNLWBL-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN(C)C(=O)OC	690817334	STCHVWFDOQWZGE-QMMMGPOBSA-N	246.311	-0.615	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@H]1CCO	694920690	MDWIPPZDVJLRLM-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@H]1C(N)=O	695105208	XEACRXOTQZHZDU-DTWKUNHWSA-N	242.323	-0.659	50	10	BBGE	
NNC(=O)CN1CCC(N2CCC2)CC1	704040119	MWVHKZMHHCGXJT-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
O=C(CCc1ccccc1O)NCB(O)O	706525822	CJFUUMUUFCHENM-UHFFFAOYSA-N	223.037	-0.547	50	10	BBGE	
NNC(=O)c1ncc(CSCCO)s1	711347040	LUIOQDWTEGANJN-UHFFFAOYSA-N	233.318	-0.028	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](C)CC1	720478703	ZLTSUWUUHUTECG-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CS/C=C/C(=O)NNC(=O)c1cnn[nH]1	751576607	COBMHCVHAVXBCA-NSCUHMNNSA-N	227.249	-0.558	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846381249	DEJQYWTWXVYKMV-BWZBUEFSSA-N	241.247	-0.667	50	10	BBGE	
CN1C(=O)CC[C@H]1C(=O)NNc1ccncn1	1141131024	MFCBOFDRYUVURO-ZETCQYMHSA-N	235.247	-0.460	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1c[nH]c(C(N)=O)c1	1163316943	PRGZGMHFRHUULW-ZCFIWIBFSA-N	240.263	-0.929	50	10	BBGE	
CCOc1nc(C(=O)NNc2nc[nH]n2)co1	1457838891	XEZWFTBEEOISAD-UHFFFAOYSA-N	238.207	-0.052	50	10	BBGE	
O=C(CCc1cnn[nH]1)NNC(=O)c1ccc[nH]1	1540500459	GHRNEBSIBWKYEN-UHFFFAOYSA-N	248.246	-0.473	50	10	BBGE	
O=C(NCc1ccon1)c1cccc(B(O)O)c1	1629163156	WDEZEVNVCSSQFT-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCCCCO	1638573740	HVZMNFMDCSXQRO-VIFPVBQESA-N	218.297	-0.117	50	10	BBGE	
O=C(CO[C@@H]1CCOC1)NNc1ccncn1	1641048337	LIKNYHOHRRBBSR-MRVPVSSYSA-N	238.247	-0.275	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1nsnc1O	1643696175	AYVPRYPZMJFDNM-SCSAIBSYSA-N	232.265	-0.799	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(=O)c1cn[nH]c1	1681482992	LCOGHIMVWVNIKV-ZCFIWIBFSA-N	236.235	-0.487	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)C1COC1	1884434342	OCHCFELMBSSFSV-ZCFIWIBFSA-N	221.640	-0.471	50	10	BBGE	
C[C@H](CCC(=O)NN)OCCN(C)C	1884723038	BAOQZJDFJQUFJU-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C#CCN(C)C1CN(C[C@H](O)CCl)C1	1888664979	RDUOGZUGMIJYCD-SNVBAGLBSA-N	216.712	-0.165	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C[C@H](O)CCl)C1	1891943864	ZJXBLRADGUEWLU-DJLDLDEBSA-N	223.700	-0.332	50	10	BBGE	
N[C@H](CO)c1cn(C[C@@H]2C[C@H]2Cl)nn1	1893097998	GKQCWJRXAKKAGB-RRKCRQDMSA-N	216.672	-0.103	50	10	BBGE	
CC(C)=C(CN1CCN(C)C[C@H]1C)B(O)O	1901615153	AKWMGTWEZVCEFH-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cocc1B(O)O	1905065397	PTMXCBDGVGXRBB-OLQVQODUSA-N	227.000	-0.810	50	10	BBGE	
C[C@H](O[C@H](C)C(=O)NN(C)C)C(=O)O	1906804232	ZEJATWDCECEJLF-RITPCOANSA-N	204.226	-0.543	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1cc(C(=O)NN)co1	1914258955	YVMZWCRAIGRSLV-XVKPBYJWSA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3(CC3)C2)O1	1914498858	MXXSYBCFLAPDSM-IUCAKERBSA-N	225.292	-0.380	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCOCC12CC2	1915586901	CIQHKBQVBRWYJL-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
NC(=O)N1CC(NC(=O)CCCCl)C1	1917785216	NGGZEWXGNDBPNR-UHFFFAOYSA-N	219.672	-0.116	50	10	BBGE	
CC1=NO[C@H](C(=O)NNC(=O)C(F)(F)F)C1	1923435370	KWBKGGFKMQIBAO-BYPYZUCNSA-N	239.153	-0.139	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CSC2)C1	1928605580	LXMGRKGUGJYCTH-ZETCQYMHSA-N	215.322	-0.196	50	10	BBGE	
O=C(Cn1ccnn1)NCCOCCCl	1928691335	ZLZBUCQYKMMEOS-UHFFFAOYSA-N	232.671	-0.350	50	10	BBGE	
O=C(CCl)NC[C@H]1CCS1(=O)=O	1930853725	RBNOUNGBILUJSZ-RXMQYKEDSA-N	211.670	-0.472	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1931413872	UWXUNXXQVGXNFG-RYPBNFRJSA-N	213.281	-0.933	50	10	BBGE	
O=C(NC[C@H]1COC[C@@H]1O)OCCl	1933390425	WEWZWDPBSSJTOR-WDSKDSINSA-N	209.629	-0.084	50	10	BBGE	
COCC(C)(C)N(C)C[C@H]1C[C@@H]1C(=O)NN	1936093808	HQXJGPHAGSTLRA-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@H]2C(=O)NN)CCO1	1936094346	MKRPNKJBTZMFRD-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CSC[C@H]2C1	1936095187	UUKQPYYYVUAIGF-AXTSPUMRSA-N	241.360	-0.093	50	10	BBGE	
CC[C@@H]1COCCN1C[C@H]1C[C@H]1C(=O)NN	1936095688	ZWHWYPGWJLSJGH-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC(C)(C)CN(C)C	1936156669	WUCGHWQELJAHMM-VIFPVBQESA-N	230.356	-0.116	50	10	BBGE	
C[C@H](O)C1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941074626	SXEMZBAGZQWMOM-JMJZKYOTSA-N	241.335	-0.295	50	10	BBGE	
CN(CCCC(=O)NN)CCc1ncccn1	1943084882	KSMWTPKZHUOHJV-UHFFFAOYSA-N	237.307	-0.279	50	10	BBGE	
Cc1cc(C)nc(CN2CC(=O)OC(=O)C2)n1	1944906456	LDWARDCPGCXIKW-UHFFFAOYSA-N	235.243	-0.021	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1957730837	PDSWTHFGSOBBQC-JGVFFNPUSA-N	219.260	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC([C@H](F)CO)C1	1957730838	PDSWTHFGSOBBQC-SFYZADRCSA-N	219.260	-0.983	50	10	BBGE	
CC(C)[C@@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1960615599	BBLRVAOAQUGLCZ-MLXNANBUSA-N	236.341	-0.425	50	10	BBGE	
COC[C@@]1(C)CCN1C[C@@H](C)C(=O)NN	1974731467	BRMWIYKBNDMVQS-PSASIEDQSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1C(=O)C[C@@]12CCOC2)C(=O)NN	1976025055	VENRROJAMWYQDY-GMSGAONNSA-N	227.264	-0.996	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3C[C@H]32)n1	1981447852	UIWXNUFXOUSNPQ-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
Cn1cc(Sc2ncncc2B(O)O)cn1	1981454428	JMMQRFNEINWUKR-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC12CC2	1984103043	ZUAJZJRXMSLRPJ-MRVPVSSYSA-N	219.049	-0.672	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)CC(F)F	1989153506	UNVPILZHUZZNBX-UHFFFAOYSA-N	233.218	-0.646	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](CF)C1	1990775670	YVQMNTMEDLFMCU-SECBINFHSA-N	231.271	-0.165	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCN1CCOC1=O	1991653321	YHTUYJJWYCLTJM-UHFFFAOYSA-N	246.650	-0.124	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCN(C2CNC2)CC1	1991677796	BPBHVASHRXNYQN-NXEZZACHSA-N	243.738	-0.270	50	10	BBGE	
CO[C@H]1CNCC[C@@H]1NC(=O)/C=C/C(=O)Cl	1991705994	LBZVTUDJMQMZQX-HZIBQTDNSA-N	246.694	-0.199	50	10	BBGE	
NNC(=O)C1(CSCCOC2CNC2)CC1	1993411685	XITJKLSXXNMVIS-UHFFFAOYSA-N	245.348	-0.522	50	10	BBGE	
CO[C@H]1CC(=O)N(CCCCCC(=O)NN)C1	2003021059	VPNDIJPYBXPGKK-VIFPVBQESA-N	243.307	-0.216	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)CCC(=O)NN)o1	2004409690	NJDGMUMHHAGBDU-SSDOTTSWSA-N	241.295	-0.032	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@H](C1)C2O	2005116993	OCWUHLVYEUIEKS-DHHPTOIESA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H]1CC(N)=O	2011913226	SIKAVMZRFVOFHZ-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
CC1(C)CC(COc2ncncc2B(O)O)C1	2017331554	ZALVVGABLHUYBL-UHFFFAOYSA-N	236.080	-0.029	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccccc1B(O)O	2022201132	YTXNWUGFCNINRB-QMMMGPOBSA-N	239.055	-0.156	50	10	BBGE	
COc1nc(OC[C@H]2C[C@@H]2C)ncc1B(O)O	2022578160	CWLCDAORVVWTLO-NKWVEPMBSA-N	238.052	-0.800	50	10	BBGE	
OB(O)c1ccn(C[C@]23CO[C@](CF)(C2)C3)n1	2023878497	QXYIIKCDRHWUKF-AOOOYVTPSA-N	240.043	-0.918	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1ncc(B(O)O)cn1)C2	2026849311	QVYRKDBIHPMTCH-GZMMTYOYSA-N	233.080	-0.607	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CO[C@H]3CNC[C@@H]23)CC1	2042710046	TUGBBTNTXKUULK-TUAOUCFPSA-N	247.298	-0.097	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@@H]1CCN1C	2066392097	GRSXLCCVNJIAKG-LBPRGKRZSA-N	248.135	-0.498	50	10	BBGE	
NNC(=O)c1cncc(CN2[C@H]3COC[C@H]2C3)c1	2077830851	MJVRNMGMZOZKLF-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
COCCOCc1cc(B(O)O)cs1	2209686041	LGPUHZOIBOFPNP-UHFFFAOYSA-N	216.067	-0.409	50	10	BBGE	
C[C@@H]1CN(CCNC(=O)CCl)C(=O)N1	2210029879	DCLIMKOAGWMQBA-ZCFIWIBFSA-N	219.672	-0.245	50	10	BBGE	
C[C@H](COCc1cc(B(O)O)cs1)N(C)C	2211076942	BSCRDJIIGNHANU-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12COC[C@H](C1)C2	2211557693	NJPMJHROMPVUQV-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
CN1CCC[C@@H]1COC[C@@H]1C[C@@H]1C(=O)NN	2211854876	TUUSTQDOVNRUSM-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C1CC1	2212613386	VEZILZSNJISVOH-JTQLQIEISA-N	216.049	-0.415	50	10	BBGE	
CN1CCC[C@@H]1COc1ccc(B(O)O)cn1	2215829122	RNZJWOHOJOJNQC-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccc(=NCCC2CC(F)C2)[nH]c1	2217177821	NQQZOZJVTLPXKB-UHFFFAOYSA-N	238.071	-0.267	50	10	BBGE	
Cc1cnc(N2CC=C[C@H]2CF)cc1B(O)O	2217180971	MQDYUKSRIZNLHG-VIFPVBQESA-N	236.055	-0.216	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2217183705	NGBARKJAYDZCBI-QPJWQJBDSA-N	230.076	-0.172	50	10	BBGE	
C[C@@H]1CNC[C@H](Oc2ccc(B(O)O)cn2)C1	2217183710	KMDNWWZUMOAQDU-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
Cc1ncnc(N(C)CC[C@H]2C[C@H]2C)c1B(O)O	2220937271	OVUYVYWMGJESOM-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N(C)C2C[C@@H]3C[C@H]3C2)ncc1B(O)O	2222652085	AFKOZMDSZJMIMY-IUCAKERBSA-N	247.107	-0.300	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2223625238	DASLMYUFAPDCNQ-GMTAPVOTSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@@]12CCCO2	2223632551	LKWPDGOJFKDORQ-PWSUYJOCSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1cccnc1N1CCNCCC12CC2	2223650552	NPUNDHOQDOYKOH-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@H]3C=C[C@@H](C2)O3)c1	2223673038	DENFNNAABBEBNS-FGWVZKOKSA-N	246.075	-0.341	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@@H]1C[C@@H]1C1CC1	2224024476	GRYIWLBUCABHKK-MWLCHTKSSA-N	248.091	-0.641	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@H]1N	2243358435	HBTVAELIWTYBRM-SSDOTTSWSA-N	226.085	-0.811	50	10	BBGE	
N#CCNC(=O)c1c(Cl)cccc1B(O)O	2243359775	XOSWZXASEYPJOQ-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)o1	2243361477	BVLCCAGDXRGDFP-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
CC=C1CN(C(=O)c2ncsc2B(O)O)C1	2243362043	LEAOOKBWAPNGGO-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CC(=O)NC(=O)c1ccc(Cl)c(B(O)O)c1	2243366691	HLRKOPWDCLHEJU-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CSC	2243396078	HCFKUHIZIBNUHX-CSMHCCOUSA-N	247.125	-0.657	50	10	BBGE	
O=C(NCCc1cocn1)C1(B(O)O)CC1	2243408952	YFKFVSILSJJZQS-UHFFFAOYSA-N	224.025	-0.660	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CCC2)CCOC1	2243410725	GSUABXLVLZFLTQ-VIFPVBQESA-N	227.069	-0.321	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H](C)C1CC1)B(O)O	2243413096	ZPDWYRPKJDCPHK-SSDOTTSWSA-N	247.125	-0.480	50	10	BBGE	
CN(C)CCN(C)C(=O)C1CC(B(O)O)C1	2243413174	ASUJGAGTSLKANZ-UHFFFAOYSA-N	228.101	-0.741	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2243419593	CAZWCLMZFOTCEN-FNCVBFRFSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243419642	CZIDDHURSPGMPW-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
CC(C)(N)CNc1cc(B(O)O)c(Cl)cn1	2245913011	KRHIPNSUZRWJAJ-UHFFFAOYSA-N	243.503	-0.436	50	10	BBGE	
COC[C@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247754268	LTXKCGGTFMMXQY-SNVBAGLBSA-N	241.096	-0.122	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@@H]21)C1(B(O)O)CCC1	2247757714	RERCFDSTBMDGGD-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CCC[C@@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247785262	IIFFIWHDFCYJTO-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@]2(O)C[C@H]2C1	2247786770	GHSQFGQAASWUNZ-WYOJIJJFSA-N	239.080	-0.777	50	10	BBGE	
COC[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796641	BPKVRZYULWTKHN-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@]1(C)CCOC1	2247796868	DOCVCNIQPFQSJX-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCOCC1CC1)[C@H]1C[C@H](B(O)O)C1	2247798214	RFXJCMABUADCRU-MGCOHNPYSA-N	241.096	-0.218	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807760	JBEFLCMEGDDKFT-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CN=c1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)c[nH]1	2247808385	USBIUXQMXGSWMM-JGVFFNPUSA-N	235.052	-0.653	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CO[C@H](C2CC2)C1	2247850024	IVONNOXNYCKGBP-UWVGGRQHSA-N	237.064	-0.972	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccoc1B(O)O	2247866405	LJRVQXKNCKHKHN-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)cn2)CC1	2247867063	XVCKGOVWVJHEHD-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)C(=O)C1(B(O)O)CC1	2247870355	IRKNHNRYJWMOCO-HLTSFMKQSA-N	239.080	-0.513	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2247874329	LGGSXAAMWIGODI-HQJQHLMTSA-N	235.048	-0.559	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2247878587	OMFOYRDLVDQZLU-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
CC1(C)CC[C@H](N)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247886376	BDFLEZICUNMQPK-DJLDLDEBSA-N	240.112	-0.422	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCCO1	2247895811	BQWVNMKJHXIODY-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@@]1(CO)C2	2247896207	FCCXGAYYAFFWDN-DKIAZLNASA-N	239.080	-0.777	50	10	BBGE	
O=C(COC1CCCC1)NCCC#CB(O)O	2250003443	XWILASFIOALDEC-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@H]3C[C@H]2CO3)nc1	2254490017	WYWNFEUHABOFBJ-HGNGGELXSA-N	249.079	-0.864	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC12CCCC2	2255465289	IQCAILSOAUKYEY-UHFFFAOYSA-N	248.091	-0.147	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2nc(O)[nH]c2c1	2255467336	LQBAJTZZVXPCAX-UHFFFAOYSA-N	245.003	-0.778	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1c(F)cccc1B(O)O	2255508897	FUUSATBNLRAMJM-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
COC1CN(C(=O)c2cccc(C)c2B(O)O)C1	2255510371	WEXMVMCZJYAEFX-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC[C@@H]2C[C@H]21	2255511659	NAVMZGSLEIPRNC-MWLCHTKSSA-N	245.087	-0.091	50	10	BBGE	
O=C(N[C@H]1C[C@H](c2ncc[nH]2)C1)[C@H]1C[C@@H]1B(O)O	2255571347	OICLXVTYAXEHHK-JBDRJPRFSA-N	249.079	-0.365	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3c[nH]nc3B(O)O)[C@H]1C2	2255572136	VURXDDPWDYRWTG-SOCHQFKDSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]32)oc1B(O)O	2255573581	PBWGCKNUMWMQRI-DTWKUNHWSA-N	249.075	-0.108	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ncc(B(O)O)cn1	2255590722	IYCZCJBEOHVIQC-VIFPVBQESA-N	249.079	-0.829	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCCC[C@H]21	2255676746	WESUISDHOGKCBT-RKDXNWHRSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@H]1C1CC1	2255717851	PQMBRRJNDXHDRQ-NSHDSACASA-N	246.075	-0.614	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1nccnc1B(O)O	2256058416	UKZHMSFOSNONDX-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)co1	2258122805	HGXZFUXFAYDJPA-ZJUUUORDSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1cocc1B(O)O	2258136355	KWXPYQQRCRTHAR-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1CC2(CC2)C1	2258152680	HZYGFRWBBKYAPW-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(CO)cc1	2258956529	YJWFAVOVXQOKCA-UHFFFAOYSA-N	247.059	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](CO)[C@@H](F)C1	2298166037	OPWIOOLAFNKSBG-QEYWKRMJSA-N	245.298	-0.735	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)[C@H]1C[C@H]1B(O)O	2298369560	YJLDWBCHSKIPMW-SQXHDICFSA-N	239.080	-0.467	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN(C[C@H](C)C(=O)NN)C2	2299132130	QAAXQYGTLKGENX-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
OB(O)[C@@H]1CCN(CC2(F)COCCOC2)C1	2303154665	METKXVBQGMPINY-SECBINFHSA-N	247.075	-0.710	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	2304308857	DVPCGFZPANSXRB-LNFKQOIKSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1cccnc1OCC1=CCCOC1	2307394279	CGUXFQSCFVDJEX-UHFFFAOYSA-N	235.048	-0.513	50	10	BBGE	
N[C@@H]1C[C@@H](COc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312614599	ZGUHBBFXIJXUEJ-DMLMCSCLSA-N	248.091	-0.877	50	10	BBGE	
CC[C@@](C)(N)COc1ccc(B(O)O)cc1C#N	2317206493	OOLWQNQXIDLUJV-GFCCVEGCSA-N	248.091	-0.256	50	10	BBGE	
CN(Cc1cnc2c(c1)CCC2)C(=O)C(=O)NN	2319829085	ODFCQKDQRWYNOJ-UHFFFAOYSA-N	248.286	-0.481	50	10	BBGE	
Cc1ncc(CN(C)c2ccc(B(O)O)cn2)o1	2319981508	TZTSBBSCCABATD-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
Nc1c(NNC(=O)c2ccco2)nc[nH]c1=O	40794446	VUHBCXIZQKXYED-UHFFFAOYSA-N	235.203	-0.298	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CCCO	52762401	PQGFOCKAJLJNMR-SNVBAGLBSA-N	243.307	-0.609	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1CCCO	82468753	XSPQEQXEFCOIGO-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CCCN(CCO)CCCC(=O)NN	82469872	RRAIUCTULDGWMU-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
CCC(CC)N(CCO)[C@@H](C)C(=O)NN	82470338	IQAUOPCAVFIZAI-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NN	82473194	AMLNRVQNDZROQK-SCSAIBSYSA-N	243.292	-0.787	50	10	BBGE	
NC(=S)NNC(=O)c1ccncc1F	83590787	JKXNXFZRCXWVAY-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
CC(C)CS(=O)(=O)N1CCOC[C@@H]1N=C=O	83877840	FWMKNITVVUWFEK-SECBINFHSA-N	248.304	-0.034	50	10	BBGE	
C=CCOC[C@@H]1CC[C@H](C(=O)NN)O1	84689151	XDEMIMGYXVQSLO-JGVFFNPUSA-N	200.238	-0.274	50	10	BBGE	
O=C(CCc1ccco1)NNC(=O)c1c[nH]nn1	132414837	NIIGXXKLNJAEQX-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)CCS1	133141810	FURDGWJCPHLBFM-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
CN(C)NC(=O)N[C@]1(C(=O)O)CCOC1	149052168	FOVXAYYRLCTVBS-MRVPVSSYSA-N	217.225	-0.994	50	10	BBGE	
CCN1CCO[C@@H](CN2CC(=O)OC(=O)C2)C1	166285313	KANHXJZGTNAILN-SECBINFHSA-N	242.275	-0.908	50	10	BBGE	
Cc1oc(CN2CC[C@@H](N)C2)cc1C(=O)NN	203224804	XWBOOWJEMKFCET-MRVPVSSYSA-N	238.291	-0.275	50	10	BBGE	
OCCn1ccc2cc(B(O)O)c(O)cc21	204504066	KOBFHFACSZBJHB-UHFFFAOYSA-N	221.021	-0.981	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NCc1cccnc1	216849589	XZIKNLWVEIUSAG-LUAWRHEFSA-N	246.270	-0.313	50	10	BBGE	
NCC(=O)NN=Cc1ccc([N+](=O)[O-])o1	256006064	VCYCPAXLXHPGQM-UHFFFAOYSA-N	212.165	-0.403	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)C[C@H]1O	299963863	CMANOGZBFMSHKB-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCOCC2)C1	304360306	HWDOLWYZBGSREB-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1c(O)cccc1Br	306889311	XEWLQDPXNMLFAO-UHFFFAOYSA-N	216.827	-0.166	50	10	BBGE	
O=C/C(O)=C/NC(=O)N/C=C(\O)C=O	307303077	OEVZIFOFOVNWLK-IOBHVTPZSA-N	200.150	-0.518	50	10	BBGE	
COC(=O)CSC/C(C)=N/NC(N)=O	308337776	GJFCSTHMQDDORZ-WEVVVXLNSA-N	219.266	-0.063	50	10	BBGE	
CO[C@@]1(C)CCN(CCCC(=O)NN)C1	308799655	DHKFYFYPDRBBFP-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
OB(O)c1cnc2[nH]nc(C(F)(F)F)c2c1	309399616	SBXPDDTUXJPZKC-UHFFFAOYSA-N	230.942	-0.344	50	10	BBGE	
CC(C)(C)NCC(=O)NNC(=O)NC1CC1	309679743	MYBNFEMEDDDMQS-UHFFFAOYSA-N	228.296	-0.133	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	379006547	GTOAVQJOVDLMDN-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
O=Cc1c(CO)sc2c(B(O)O)cccc12	396335708	LJWLANFVBXEXQM-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
COC1(CO)CCN(C(=O)NN)CC1	402743323	XOUWSOLMSWYXPO-UHFFFAOYSA-N	203.242	-0.957	50	10	BBGE	
COCCC(=O)Nc1ccc(B(O)O)c(F)c1	404996111	HNSQIMGWLNEJSY-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
O=C(Cn1cccn1)Nc1cccc(B(O)O)c1	404999779	JGKSQFFVAMHHLH-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
CC[S@](=O)Nc1ccc(C)c(B(O)O)c1	405095500	XCPAHBHSEIRABS-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
CCN1C(=O)N[C@@H]2NCN[C@@H](Cl)[C@@H]21	575624982	DQOCXPFBSXGPOG-JKUQZMGJSA-N	204.661	-0.559	50	10	BBGE	
NNC(=O)C[S@@](=O)CC(=O)OC1CCCC1	586371939	AMBJDJWXPNDTHP-MRXNPFEDSA-N	248.304	-0.789	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(NC2COC2)C1	685947735	OPEHVFNCQGSBBP-LURJTMIESA-N	218.684	-0.187	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@@H](C)O1	689158369	BMABGJLYRMHZFL-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@@H](C(=O)NN)C(C)C	689810311	KKJXRJCDEBKJBZ-KOLCDFICSA-N	247.339	-0.670	50	10	BBGE	
CO[C@@H](CN(C)C(=O)C(=O)NN)C1CCC1	692135008	FPMTUKSRVBFLKU-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCF)CCOC	697054920	KISXHHLKSHXMHX-MRVPVSSYSA-N	221.276	-0.327	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cccnn1	701786382	AJOWUWQINHPKFU-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCCOCCO	703443677	COFXYAMNKRLVQS-RKDXNWHRSA-N	243.259	-0.698	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(CC(N)=O)CC1	704344062	JCTYBOXMVHJIEP-MRVPVSSYSA-N	247.726	-0.509	50	10	BBGE	
NNC(=O)C(=O)N1CCC12CCCCC2	707277535	BDFNMUBKCGIXRR-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
NNC(=O)N[C@H]1CCN(C2CCC2)C1=O	709093597	DZEDIZNGMRHRGR-ZETCQYMHSA-N	212.253	-0.687	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H]2[C@H](C(=O)O)[C@@H]2C1	721772106	VMBISQAKMINGJO-PRJMDXOYSA-N	227.264	-0.175	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(CN)CCCC1	725000830	AUNSBSFIVYLUIF-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
CN1CC(NC2=C(C#N)[C@@H](N)[N]S2)C1	725591940	SLKFMAPLYFJIHC-ZETCQYMHSA-N	210.286	-0.824	50	10	BBGE	
C[n+]1cc(CN[S@@+]([O])(=O)CCl)[nH]n1	725595452	OTQVQTDREIWEDP-CYBMUJFWSA-O	225.681	-0.720	50	10	BBGE	
CCCC(=O)NCC(=O)NNc1cccnn1	736702082	XVIJZKLUHPDHCN-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
CCC(CC)C(=O)NNC(=O)[C@H]1COCCO1	744641031	HOXBYCLJEQLRIS-SECBINFHSA-N	244.291	-0.015	50	10	BBGE	
COC(=O)NNC(=O)Cn1cncc1C	863853841	FAXAPUQIJLITEZ-UHFFFAOYSA-N	212.209	-0.421	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	864426911	CYNHYUDJGSAVFL-ATRFCDNQSA-N	200.238	-0.033	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)NCCCOC	900384845	MJLRDCHMNIMOHO-RYEJSQLPSA-N	245.279	-0.710	50	10	BBGE	
CCn1ccnc(N2CC[C@H](B(O)O)C2)c1=O	1118914985	DYEPQKLZYKXRAI-QMMMGPOBSA-N	237.068	-0.684	50	10	BBGE	
Cn1c2c(ccc1=O)[C@H](NC(=O)NN)CCC2	1328730718	QFYUJUFNQNQANG-MRVPVSSYSA-N	236.275	-0.064	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2F)n1C	1347831594	KPIQZIADLBSQLK-PHDIDXHHSA-N	213.216	-0.075	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCn2ncnc21	1540576182	BIBJGOUKHPXTKI-ZETCQYMHSA-N	223.236	-0.677	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1ccc(O)nn1	1623762861	VWIOSBKZNNXIFR-UHFFFAOYSA-N	239.235	-0.512	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccn2nnnc12	1625913052	VVJKINASYZKKJI-UHFFFAOYSA-N	249.234	-0.960	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)c1cnsn1	1637805993	LBCYRZFVKXLHAP-UHFFFAOYSA-N	242.260	-0.332	50	10	BBGE	
O=C(NCC#CCO)[C@H]1C[C@@H]1Br	1881353944	QDRBILJCIZQUAH-BQBZGAKWSA-N	232.077	-0.118	50	10	BBGE	
NC[C@H](CO)C(=O)NC[C@H]1C[C@H]1Cl	1883552537	NFQVLRZTOYQNMF-FSDSQADBSA-N	206.673	-0.703	50	10	BBGE	
NCCOCC(=O)NC[C@@H]1C[C@H]1Cl	1883554952	WOYIUYKFHQFPSE-NKWVEPMBSA-N	206.673	-0.295	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](CO)[C@@H](N)C1	1885200788	NISQZFGIQVRNFM-CIUDSAMLSA-N	217.700	-0.241	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@@H]1[C@H](O)CO	1885362673	CHCIPVPBUXCINV-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@]1(C)CCOC1	1888042863	LHVPMBRDZLREPR-VXNVDRBHSA-N	202.254	-0.050	50	10	BBGE	
CONCCCNC(=O)/C=C/C(=O)Cl	1893498025	OGRGXFLCNMOXQB-ONEGZZNKSA-N	220.656	-0.035	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H]2CF)O1	1896175779	LYNXQZNZQITBBB-HLTSFMKQSA-N	231.271	-0.432	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]1C1CCOCC1	1897508988	CZYHOYBIMAUFMI-JGVFFNPUSA-N	243.332	-0.087	50	10	BBGE	
C=C(Cl)CONC(=O)c1coc(B(O)O)c1	1899453807	MIIKWKFIYIACSR-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC(O)C1	1914601818	XKTLQIDMMOXYBB-KRTGUUSXSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCCO)CCCO	1922173035	SQWNDBDKDUABBS-JTQLQIEISA-N	247.339	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926421850	SOLKCCDPCOESFY-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(CCC(=O)NN)C1	1928102500	MYYVXNHPYVRLBH-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CSC[C@@H](C)N(C)CCOCC(=O)NN	1928183699	ZPLJRWJSGAOIJH-MRVPVSSYSA-N	235.353	-0.324	50	10	BBGE	
Cc1scnc1C(=O)NNC(N)=S	1928978119	GJQKEEBCRSZJGZ-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
CN(C)NC(=O)N[C@](C)(C(=O)O)C(F)F	1932389922	XCLJZNGKPSWNLF-ZETCQYMHSA-N	225.195	-0.129	50	10	BBGE	
Cc1csnc1C(=O)NNCCO	1932795508	PDJHVXZCSKITPU-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
CC[C@H]1CC(=O)N(CCOCC(=O)NN)C1	1936532578	XFWNFNDKHMZBFH-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CON1CCC(N(C)[C@H](C)C(=O)NN)CC1	1937135925	KBOUERREDUSFMR-MRVPVSSYSA-N	230.312	-0.678	50	10	BBGE	
CO[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)C1(C)C	1939566279	INTSQLFFCYUVGT-NKWVEPMBSA-N	229.280	-0.752	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@@H]1C	1941090466	ZYHKAPYSOFFFNE-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
C[C@]1(OC[C@H]2CC[C@@H](C(=O)NN)O2)CCOC1	1942466225	TUAYNRBKBAPAEA-YWVKMMECSA-N	244.291	-0.281	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](OC)[C@@H]1C	1949587923	IXYYZISFIAVMBZ-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)O1	1951322226	YUGMVLJFROLMIJ-VGMNWLOBSA-N	227.069	-0.371	50	10	BBGE	
C[C@H]1Oc2ccc(B(O)O)cc2NC1=O	1951335683	FSVBPMFFJZENPE-RXMQYKEDSA-N	206.994	-0.914	50	10	BBGE	
O=S(=O)(NCCCl)N1CCC[C@H]1CO	1955746944	AUNFIFSFFARTOB-ZETCQYMHSA-N	242.728	-0.484	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](O)[C@H](O)[C@H]1C2	1957069609	KVEBFNQWUAURIZ-VOQBNFLRSA-N	219.668	-0.432	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1NC(=O)OCCl	1957176073	XXIDZKIAWHNHFE-RFZPGFLSSA-N	222.628	-0.448	50	10	BBGE	
COCCO[C@H]1CCCN(C(=O)NN)C1	1958240393	ZCTHTRPFBQNUCE-QMMMGPOBSA-N	217.269	-0.303	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(F)CC1C2	1960682597	BUAKLALGWSLZKV-HHMRDVHBSA-N	213.256	-0.201	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961926983	PNMNUTKRNFGIJW-FDDDBJFASA-N	233.695	-0.042	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(OCC(N)=O)C1	1962373566	PDAUSADDYCVSTR-ZCFIWIBFSA-N	234.683	-0.284	50	10	BBGE	
OB(O)c1cnn(C2CC(C3CC3)C2)c1	1974989477	RAPFCRJIRPTNEG-UHFFFAOYSA-N	206.054	-0.076	50	10	BBGE	
NNC(=O)CN1CCC2(CCOCC2)CC1	1980795186	HWEVEEOVZZUQKI-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	1980978151	IHUNORXYGRDGBF-IQJOONFLSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[S@]1=O	1981189913	YOPFAXFAFBCWFW-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
CON(c1ncncc1B(O)O)C1CCC1	1981413161	CBHVEEZKZTUIGI-UHFFFAOYSA-N	223.041	-0.923	50	10	BBGE	
CC12CC(CN1c1ncc(B(O)O)cn1)C2	1981413904	LUWOZDGQNWENKB-UHFFFAOYSA-N	219.053	-0.855	50	10	BBGE	
CCN(CC(C)C)c1ncncc1B(O)O	1981415884	JLQBAIDHNMQNJL-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1CCSC1	1981426379	NLUQCJHIIADCFK-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncccc2B(O)O)CO1	1981429700	HDWWJGJONYZQBS-SFYZADRCSA-N	223.037	-0.682	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@H]2C)ncc1B(O)O	1981530667	PDTGZTQNKMNABR-MUWHJKNJSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCO[C@H]2C1)C(=O)NN	1986658994	AKIIDRHXIZZXFE-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@H]2C1	1987898922	CPGUGJSJYBNECT-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1CC(CO)C1	1990038504	HAOHWHZYMYQMLZ-IDKOKCKLSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)[C@H](CNC[C@H]1C[C@H]1Cl)NC(C)=O	1991432020	IIAJVZBJHSTZAI-HLTSFMKQSA-N	248.710	-0.119	50	10	BBGE	
COC(=O)N1CCc2sc(B(O)O)cc2C1	1995023361	JXHLBUPWXIDJGO-UHFFFAOYSA-N	241.077	-0.448	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1CCCO	1995117490	JVPUBQIVVFYGGS-QMMMGPOBSA-N	229.280	-0.870	50	10	BBGE	
CC1(C)CC(=O)N1Cc1cc(C(=O)NN)no1	1996582967	OKSQDWJHQLBASW-UHFFFAOYSA-N	238.247	-0.211	50	10	BBGE	
C[C@@H](CN1CCO[C@H](CO)C1(C)C)C(=O)NN	1997289992	NPCBJPNCGDKYLV-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
COC1(C)CCC(N(C)C(=O)C(=O)NN)CC1	1998415602	KUDBJLYAFFSYGN-UHFFFAOYSA-N	243.307	-0.218	50	10	BBGE	
C[C@H](CN)[C@H](F)C(=O)N1CCC(O)(C#N)CC1	1998677102	GMZCZMOYRUPUEU-BDAKNGLRSA-N	243.282	-0.204	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCn1ccnc1	2003835340	PPKIPMXDJUDINJ-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
CN(CCn1cncn1)CC(C)(C)C(=O)NN	2003835804	WALFSVNUPQQQHF-UHFFFAOYSA-N	240.311	-0.774	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCc2ncn(C)c2C1	2004040678	NEYJRMDWQGNWTA-VIFPVBQESA-N	237.307	-0.453	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCN1CCCC1=O	2004257937	TZGSNSIGHJHUQF-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCCOCCOc1ncc(C)cc1B(O)O	2004936385	YREADTDNRJJMGD-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010835306	NHPDAXDQXINKJW-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1C[C@H](CO)C2)C(=O)NN	2012640817	DMSBEVLPYOKYID-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CO[C@@H]1CC[C@@H]1CC(=O)O	2013850202	DZWPYMCAEJRPKT-HTQZYQBOSA-N	244.247	-0.576	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCOC2=O)O1	2018243501	UDUAKBMQYYWVJC-JGVFFNPUSA-N	243.263	-0.634	50	10	BBGE	
Cc1ccnc(N2[C@H]3COC[C@H]2C3)c1B(O)O	2021409793	UKDBTTSIKBYZJA-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1ccccc1B(O)O	2022196521	NNHAWCUCTHEKME-QMMMGPOBSA-N	232.048	-0.744	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1CO	2025431629	HBRQJFZUSPPSAQ-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
COCC(COC)COC[C@@H]1C[C@H]1C(=O)NN	2026063409	UDLGWOTUXPUKJG-VHSXEESVSA-N	246.307	-0.462	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3COCC[C@@H]32)nc1	2052470621	GMFLSRRRLJOTBJ-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
Cc1ncnc(N(C)CC2[C@@H]3CC[C@@H]23)c1B(O)O	2052554559	WHXMYZOOILOLAP-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
OB(O)c1cncnc1-n1ccnc1C1CCC1	2052596462	BDPPKASHDLVOGR-UHFFFAOYSA-N	244.063	-0.390	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)Cc2cocn2)n1	2052625986	RSBRURPVWKNXQN-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C=C[C@H]1CCOC1	2059309395	MNERTKLKUBIJOO-ZJUUUORDSA-N	228.292	-0.077	50	10	BBGE	
O=Cc1cc(F)cc(B(O)O)c1[N+](=O)[O-]	2060054085	OXPJVRHVKLRBSI-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(B(O)O)cc1C=O	2060284217	ZSSGAWOMAGJURY-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@H]3C[C@H]32)s1	2211072866	SJLOFSQLWBDHGO-BDAKNGLRSA-N	239.105	-0.599	50	10	BBGE	
CN(CCOCC(=O)NN)C1C[C@@H]2C[C@H]2C1	2212279599	GGXUACFLXFQDNK-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212289320	OFZWPHYHLFBGDH-DIYOJNKTSA-N	219.049	-0.061	50	10	BBGE	
CCOC[C@H](C)Oc1cc(B(O)O)ccn1	2212609508	SNGGJAIQZZUOGK-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
OB(O)c1cccnc1N1CC=CCCC1	2212611328	ZGAOQMIIQRXTJF-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1Cc1cccc(B(O)O)c1	2214601226	KZDRFVNQYGQZBF-JOYOIKCWSA-N	234.108	-0.712	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CC3CC2C3)nc1	2216291930	PSHVYCBOUSFXAR-AMDVSUOASA-N	234.064	-0.419	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H]2CF)CCC1	2216533816	GZAQQVYMSIRICY-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
Cc1cnc(OC[C@@]2(C)CCN2)cc1B(O)O	2217167959	RBFQJGRTOFHWDW-LLVKDONJSA-N	236.080	-0.799	50	10	BBGE	
CC(C)(F)C1CN(c2cc(B(O)O)ccn2)C1	2217173888	UTGXXMMUGUHJBI-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1cnc(CNc2ncccc2B(O)O)[nH]1	2217176721	ZQCQBDQSDWRDHR-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C[C@]1(Nc2nccc(B(O)O)c2F)CCNC1	2217179290	JASAXCCDQBGTEG-JTQLQIEISA-N	239.059	-0.936	50	10	BBGE	
COC[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217180438	HOKXZGHIYNYTRI-WAAGHKOSSA-N	236.080	-0.402	50	10	BBGE	
Nc1ccccc1Oc1ncc(B(O)O)cn1	2217187298	WDOINPCUVKCKAP-UHFFFAOYSA-N	231.020	-0.469	50	10	BBGE	
CC1(COc2ccc(B(O)O)cn2)CC(N)C1	2217191192	IOEFMNXBPUPJMQ-UHFFFAOYSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCC[C@H]2F)nc1	2217198462	BNPJBHKJPDMBOD-BDAKNGLRSA-N	239.059	-0.151	50	10	BBGE	
OB(O)c1cccnc1NCCc1cnoc1	2217199922	HAQYFTGMTBCLDM-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Nc1ncccc1B(O)O	2217200325	SCHJTALGULXEBU-RKDXNWHRSA-N	235.096	-0.701	50	10	BBGE	
C[C@@]1(CN)CCN(Cc2cccc(B(O)O)c2)C1	2220057336	HBPJZNKYWZTLRR-ZDUSSCGKSA-N	248.135	-0.463	50	10	BBGE	
Cc1cnc(O[C@@H]2CNC23CCC3)cc1B(O)O	2223629122	FTIUNOWVHXUUPI-SNVBAGLBSA-N	248.091	-0.657	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@@]12CCCO2	2223632550	LKWPDGOJFKDORQ-JQWIXIFHSA-N	248.091	-0.115	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@H](N)C2)cc1B(O)O	2223645205	UAQDFZRAMFUICW-VHSXEESVSA-N	249.123	-0.248	50	10	BBGE	
Cc1cnc(N2CC[C@H](N)[C@@H](C)C2)cc1B(O)O	2223653375	QORMLCJCNORVPJ-ONGXEEELSA-N	249.123	-0.757	50	10	BBGE	
OB(O)c1ccc(N2CCC3(CC(O)C3)C2)nc1	2223670586	ABSUZLGTNQOTGL-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CC[C@H](C2)N3)nc1	2223670958	GAIOZEXAUAUPDO-JGPRNRPPSA-N	247.107	-0.544	50	10	BBGE	
N#CNC(=O)c1scc(B(O)O)c1Cl	2241475141	RGEJZGSRFKICAK-UHFFFAOYSA-N	230.441	-0.708	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@H](O)CC1	2241587219	KFZVSUULPZIJQC-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](C)CF	2241714476	AJMOOHWPHKWLCI-LURJTMIESA-N	205.233	-0.557	50	10	BBGE	
CCCCOc1nc(OC)ccc1B(O)O	2243086937	VHJUWJDGEZTTII-UHFFFAOYSA-N	225.053	-0.051	50	10	BBGE	
CON(C(=O)c1ccc(B(O)O)o1)C(C)C	2243356423	HMNLXYYRCQXVKV-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
CCC[C@@H]1C[C@@H]1CN(C)C(=O)C#CB(O)O	2243362317	PHVJGFDLWHIKAK-NXEZZACHSA-N	223.081	-0.104	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1occc1B(O)O	2243363311	DVUKZUWIWVLEAS-ZETCQYMHSA-N	221.021	-0.758	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243377504	ADJFBVCZMYHNHJ-FBMACHJBSA-N	240.093	-0.793	50	10	BBGE	
Cc1n[nH]cc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243397203	XDTHRCWMESRXBT-JGVFFNPUSA-N	223.041	-0.803	50	10	BBGE	
O=C(Nc1ccns1)c1cc(B(O)O)c[nH]1	2243401753	WESFIXRMODVQSJ-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cscc2B(O)O)[C@@H]1C	2243410380	AJRKTHPWMRISFQ-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
N#CCCCNC(=O)c1cc(B(O)O)cs1	2243419785	GQASHBGXLLIFQJ-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)B(O)O	2243419896	IRMPGWUBXJMUMZ-AYMMMOKOSA-N	245.109	-0.728	50	10	BBGE	
C#CCC(=O)N[C@H](C)c1nscc1B(O)O	2243668236	NRAALMJFBICDIL-ZCFIWIBFSA-N	238.077	-0.977	50	10	BBGE	
O=C1NCC[C@@H]1CN1CCC(B(O)O)CC1	2244176984	LCXWEMSQKFHVGU-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCCCO1	2244547280	XUZVICYFAHWHJJ-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
Cc1nccn1-c1cc(B(O)O)c(Cl)cn1	2245907774	HDNRCTGXFNCWAO-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
O=C(Nc1ncco1)c1cc(B(O)O)cs1	2245939502	FECCCHONHKVRQD-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@@H]1O[C@]2(C(=O)O)C[C@@]1(NC(=O)NN(C)C)C2	2247272269	KJFNFZZDABQPOF-JUWDTYFHSA-N	243.263	-0.463	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCC1=O)CC2	2247744587	VDTLGCJOOQKZEJ-UHFFFAOYSA-N	235.048	-0.679	50	10	BBGE	
O=C(NC1C[C@H]2COC[C@@H]2C1)C1(B(O)O)CC1	2247750382	IQIFNTMJAXPJAH-YUMQZZPRSA-N	239.080	-0.465	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCN(C)C1	2247750946	QHVCLKUCKOREJT-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CCc1ncc(CNC(=O)C2(B(O)O)CC2)o1	2247757876	XWORFOJGNSEVSO-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
CC[C@@]1(N)CCCN(C(=O)C2(B(O)O)CC2)C1	2247758656	VOSAKNBIDUDHQP-SNVBAGLBSA-N	240.112	-0.277	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2247765433	YZARBXTXYZRGNP-MRVPVSSYSA-N	236.080	-0.601	50	10	BBGE	
COC(=O)C[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247797291	IHGZGKJRUCHYPC-JECWYVHBSA-N	243.068	-0.693	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1O	2247797681	MBCMVRCVSXBZLK-LURQLKTLSA-N	241.096	-0.628	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC(N2CCC2)C1	2247798950	YNXVRKWYHLMZHJ-KYZUINATSA-N	238.096	-0.844	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCOC[C@@H]1F	2247799293	BORMLCORVSLUHL-RYPBNFRJSA-N	245.059	-0.565	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@@H]1C[C@H]1B(O)O	2247808537	LNVREVGVMIKKGP-HTQZYQBOSA-N	231.020	-0.823	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C	2247809090	NTRGZXHIINTMIP-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)ccc1F	2247848544	NDKDTSMUNUOPAV-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247850198	LHFQRQZCIZLTQT-KWQFWETISA-N	237.064	-0.122	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1cc(B(O)O)c[nH]1	2247850398	ODQBPHLHLISQMB-XPUUQOCRSA-N	240.043	-0.876	50	10	BBGE	
CC1(C)NCCC[C@H]1NC(=O)C1(B(O)O)CC1	2247874760	TYCRYWPRPDHFIP-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
O=C(N1CC=C(CO)CC1)C1(B(O)O)CCC1	2247875595	YVVRHLLNEWICTR-UHFFFAOYSA-N	239.080	-0.466	50	10	BBGE	
CCCNC(=O)c1c(OC)cccc1B(O)O	2247875934	GBDZCZTXMWDEPZ-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2C[C@H]2F)oc1B(O)O	2247876974	ZZGFUSLCCQUYGM-NKWVEPMBSA-N	241.027	-0.644	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(CN)CCC1	2247879039	PIWURUSQRUIKER-UHFFFAOYSA-N	240.112	-0.277	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885199	HDLCOQBBPOSZPD-XVKPBYJWSA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(C(=O)N2CC(F)(F)C2)oc1B(O)O	2247890414	MDNBDCHSTQMXBX-UHFFFAOYSA-N	244.990	-0.641	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893228	OHYQUNJHTGNFSG-AFWXGSBKSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247896146	XMYMQXUNLYTSQV-UTINFBMNSA-N	241.096	-0.674	50	10	BBGE	
C[C@]1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247896922	LZSRBSGSBMDOLM-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
C#CC1CN(C(=O)c2sc(C)cc2B(O)O)C1	2247897099	NYQLDHOYQRPZRW-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1ccncc1B(O)O	2255455094	ZYHSKCRXHLVBDS-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
COc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1B(O)O	2255555140	WSYRTNBGNXWFHL-OIBJUYFYSA-N	249.075	-0.487	50	10	BBGE	
Cc1ncccc1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2255561993	PBFHSRBQXZZINI-MNOVXSKESA-N	248.091	-0.088	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2255669930	USCPYMDKQQNMIM-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)c1cn[nH]c1	2255675852	HTBAPONFELUQMW-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=CCN(CC)C(=O)c1ncc(C)cc1B(O)O	2255789405	GRFJCGDKONSIMU-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2255951739	JZNBWRWOXVVEDT-OIBJUYFYSA-N	249.075	-0.400	50	10	BBGE	
Cc1cnc(OCC23CC(CO2)C3)c(B(O)O)c1	2260702618	YHZCJJMEWYEWMJ-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298370073	NOPPGYYADXRSKM-IMSYWVGJSA-N	240.112	-0.517	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](NC(=O)C3(B(O)O)CC3)C[C@H]12	2298374895	CJDJASXBUKIILB-KZVJFYERSA-N	238.096	-0.765	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C2	2298560635	QNVQMRZVBFTNHW-CQKCGHAMSA-N	239.080	-0.467	50	10	BBGE	
Cc1nc(N(CCF)CCF)ccc1B(O)O	2301725549	PIANHAVUHYMIQM-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C(CO)[C@@H]2C1)C(=O)NN	2303411246	UAOVOZLUWKIIFH-KBVBSXBZSA-N	241.335	-0.437	50	10	BBGE	
CCC[C@H](CN)Nc1cc(B(O)O)c(F)cn1	2303835151	ROJHPWBXYMKXLB-SSDOTTSWSA-N	241.075	-0.560	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2304186441	JWGXGEHIIOQFRP-CIQUZCHMSA-N	241.096	-0.533	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(c1ccc(B(O)O)cn1)C2	2312612133	BGKFAJWNTIXXCW-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCCN1	2317209564	SNAFRRDRLSPZRF-LLVKDONJSA-N	246.075	-0.631	50	10	BBGE	
C#CCOCCOc1ccc(C=O)c(B(O)O)c1	2317349405	BWQKYHSUPOLTMV-UHFFFAOYSA-N	248.043	-0.793	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNCCCO	2324725631	XKVZYJQJWHIAIB-UHFFFAOYSA-N	241.291	-0.481	50	10	BBGE	
NCCCC(=O)NNC(=O)c1ccncc1	33641601	MPMRWNZZNOCIAR-UHFFFAOYSA-N	222.248	-0.419	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@H](C)O1	34781249	DOXDICKGIDCSNM-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CN1CCN(c2ncc(C(=O)NN)s2)CC1	82418753	WECWMULAVSRPAK-UHFFFAOYSA-N	241.320	-0.502	50	10	BBGE	
CCn1nc(C(C)C)cc(C(=O)NN)c1=O	82450883	FJYVVIJVAWVQNO-UHFFFAOYSA-N	224.264	-0.010	50	10	BBGE	
CCCN(C)CCn1cc(C(=O)NN)nn1	82467055	GTTYCOHJRWDCKK-UHFFFAOYSA-N	226.284	-0.777	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cc([N+](=O)[O-])cn1	82468314	BCVXCBDUEONDFL-ZETCQYMHSA-N	227.224	-0.022	50	10	BBGE	
O=S1(=O)C=C[C@H](NS(=O)(=O)CCl)C1	84131709	FJUUAOUSFYBUCB-YFKPBYRVSA-N	245.709	-0.587	50	10	BBGE	
O=C(CN1CC(=O)NC1=O)NNc1ccccc1	111552375	XQCOHGIDIQNEHC-UHFFFAOYSA-N	248.242	-0.319	50	10	BBGE	
CCN(CCCO)[C@@H](C)[C@@H](C)C(=O)NN	124936947	IEGMDZRPCACAPF-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
C[C@H](Cl)CNC(=O)CS(C)(=O)=O	136842103	DXVUFLPXAFJREL-YFKPBYRVSA-N	213.686	-0.226	50	10	BBGE	
CS(=O)(=O)NCCn1cnnc1CCl	149863723	QFTHEGCLEVCLRK-UHFFFAOYSA-N	238.700	-0.434	50	10	BBGE	
COc1ccc(=O)n(C[C@@H](Cl)C(=O)O)n1	157675298	WCYGVMMKGPGYLK-RXMQYKEDSA-N	232.623	-0.056	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CCO)C1	159981762	DEQAODNRPYOROP-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CCCO2)c1	203524732	HWGQGRHBWCQTRZ-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
COC[C@@H](C(=O)O)c1ccc(B(O)O)cc1	204559604	UOSKYZYFLXAUCF-SECBINFHSA-N	224.021	-0.819	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](CCO)C1	227444675	PCRWEWVALZJYNZ-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
C[C@@H](CCN1CC(=O)OC(=O)C1)[S@](C)=O	229872342	WVRLNZLTYPTYFS-ZIDLFYJRSA-N	233.289	-0.471	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	232420393	UBTLLGUMKAINAQ-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
O=C(O)[C@H](Cl)CN1C(=O)C=CC1=O	238667344	OYJCIMALNGXUJA-SCSAIBSYSA-N	203.581	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@H]1CN	250752651	GGPSKQOMOBKWBO-UWVGGRQHSA-N	242.323	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@H]1C	251265176	ZJOFIBLEABDSLA-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CCS[C@H]1CCC[C@@H]1NC(=O)C(=O)NN	300649094	HPDFVOAAGWDQPX-BQBZGAKWSA-N	231.321	-0.233	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCOC1=O	302357284	NLSXCORDDZOVBI-UHFFFAOYSA-N	236.231	-0.363	50	10	BBGE	
CN(C)S(=O)(=O)N1CCOC[C@H](Cl)C1	306745571	BHJCHWUJRLONOL-SSDOTTSWSA-N	242.728	-0.268	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)C1(C)C	379980152	RZKYAPMXTHOITG-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]1OCCN([C@H](C)CC(=O)NN)[C@H]1C	380338644	KATYCIZUUSRLGE-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
O=C(O)Cc1cc(C(F)(F)F)c(B(O)O)cn1	382638878	KEYWHDIGAPFNPL-UHFFFAOYSA-N	248.953	-0.593	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1Cc1cc(C(=O)NN)no1	384990637	CDFWFRSLTLPJTK-RNFRBKRXSA-N	240.263	-0.767	50	10	BBGE	
CC(C)C[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396499606	VBLTXZHEKSSRDL-VXGBXAGGSA-N	237.108	-0.227	50	10	BBGE	
CNC(=O)CCCNS(=O)(=O)CCl	398394950	ZXNUHPQCZLVBQW-UHFFFAOYSA-N	228.701	-0.372	50	10	BBGE	
C[C@@H]1COCCN(CC(C)(C)C(=O)NN)C1	399697297	VEOBDIRWGAKAHA-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C2CC2)C[C@H]1C	402753394	BLCPHNFSVJWHJA-KOLCDFICSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H]1CN(C2CC2)CCN1[C@H](C)C(=O)NN	402771127	JFRIHQQWRSOTQR-RKDXNWHRSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1cc(C(=O)NN)co1	688394861	JYLXZAZGCYNEIE-MRVPVSSYSA-N	241.291	-0.057	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCO)CC1CC1	690925038	AGJRSHNSTUPZAX-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CNC(=O)C2)CC1	692124142	LVVVWUPJAIJTAB-VIFPVBQESA-N	223.276	-0.527	50	10	BBGE	
C[C@H]1C[C@H](N)CN1CC(=O)NNc1ccccn1	702641044	DGTCORDMNUHGNL-UWVGGRQHSA-N	249.318	-0.054	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1ccccc1B(O)O	703517503	MUVMRSISRZNVDW-SKDRFNHKSA-N	236.076	-0.082	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@@H]1C	706813217	BKCMWAJOXYPXLD-VIFPVBQESA-N	235.092	-0.031	50	10	BBGE	
CCCN(CC(C)(C)O)[C@H](COC)C(=O)NN	708530247	DFBBIRXBYAASHM-SECBINFHSA-N	247.339	-0.526	50	10	BBGE	
CN(C)NC(=O)N1CC(CCC(=O)O)C1	709329969	DGDQLBVXLZOEDN-UHFFFAOYSA-N	215.253	-0.031	50	10	BBGE	
CC(=O)N[C@@H](Cc1cccc(O)c1)B(O)O	709924045	GTHOVWQPGZSIGF-JTQLQIEISA-N	223.037	-0.549	50	10	BBGE	
CC(C)C(=O)N1CCc2cc(B(O)O)ccc21	712200261	CWCXNAFAEFLFRD-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)cc1OC	712395591	XJVGQPGSYCPSMM-MRXNPFEDSA-N	243.093	-0.530	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H]2C[C@@H]2C1=O	715701201	KSZXHTNVXJICMC-SFYZADRCSA-N	235.243	-0.139	50	10	BBGE	
C[C@H]1CC(C(=O)NNC(N)=O)C[C@H](C)O1	724389699	JZASLDWBOBPJQB-WDSKDSINSA-N	215.253	-0.111	50	10	BBGE	
C[n+]1nn[nH]c1C[N+]1=C(CCl)[N+]#[N+]C1	725590525	WMPHXQWOPJYNOA-UHFFFAOYSA-O	215.648	-0.588	50	10	BBGE	
C=CCOCCNC(=O)NNC(=O)COCC	780895399	RVQJALCYZFHFNX-UHFFFAOYSA-N	245.279	-0.444	50	10	BBGE	
CC(=O)NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53	800378345	GYYFPFWIBSVZIU-ZZQZWULMSA-N	246.266	-0.519	50	10	BBGE	
CO[C@@H](C=NNC(=O)[C@H]1COCCO1)C1CC1	853313037	CCOXCGGUJXPKNI-VHSXEESVSA-N	242.275	-0.071	50	10	BBGE	
NC(=O)CNS(=O)(=O)C(Cl)Cl	1201807795	SQNDUYWMPDZUPS-UHFFFAOYSA-N	221.065	-0.848	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)C23CC(C2)C3)N1	1330108274	NVESWTIUGFNHEM-KKOGVWMFSA-N	237.259	-0.788	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1ncon1	1538716583	LDNMLJQTPXCXSR-UHFFFAOYSA-N	226.192	-0.967	50	10	BBGE	
COCC#CC(=O)NN=c1cc[nH]cc1	1558957119	RFJLWSUNZLBXLK-UHFFFAOYSA-N	205.217	-0.404	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1C[C@H]1F	1638295938	JTPKJCKEFNCEDY-NTSWFWBYSA-N	203.217	-0.947	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)C1COC1	1884428374	GPADUSLFZFMHSW-QMMMGPOBSA-N	220.700	-0.082	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1	1885035797	ORMXQBHRNLFOFN-UHNVWZDZSA-N	211.187	-0.093	50	10	BBGE	
C#CC[C@@H](C)C(=O)NN(C)S(C)(=O)=O	1888561900	LQPNZCYWZKPFQY-SSDOTTSWSA-N	218.278	-0.432	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)NCC	1888571864	NILVKKVWXQWIMN-UHFFFAOYSA-N	223.298	-0.108	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCSC1	1891994426	OGOSBEDETOCVOV-WDSKDSINSA-N	201.056	-0.618	50	10	BBGE	
C[C@]1(C(=O)NCC=CB(O)O)C[C@@H]1F	1892918648	BJOJWKXBXHSYOR-XPUUQOCRSA-N	201.006	-0.581	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCC[C@@H]21	1896232995	QAOJQSAUMFBGDL-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(C[C@@H](C)C(=O)NN)[C@@H]1C	1903280786	DJDSHFLQXCLHBN-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CC(=O)NN)n1c(=O)oc2cccnc21	1905542230	DRTGBGQLGAYHGG-LURJTMIESA-N	236.231	-0.070	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1907079073	JJSJGOQHFINLIQ-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
O=C(NC1CC(Cl)C1)N[C@@H](CO)C(=O)O	1909271963	FKAABICATRNMLC-WRVKLSGPSA-N	236.655	-0.499	50	10	BBGE	
C[C@@H](CN1CCCN(C)C1=O)C(=O)NN	1912226813	ZNSQOUJCOQQQDS-ZETCQYMHSA-N	214.269	-0.630	50	10	BBGE	
NNC(=O)CCN1C[C@H](CO)C2(CCC2)C1	1914023884	VALMBFCQUYIHAQ-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]1C1CCCC1	1928056809	LZHSZUAVUXGDKB-JGVFFNPUSA-N	211.265	-0.329	50	10	BBGE	
OCCOC1CN(CCOCCCl)C1	1932098718	AFXNQLLOEOXTRU-UHFFFAOYSA-N	223.700	-0.065	50	10	BBGE	
CN(C[C@H](O)C1CC1)C[C@@H]1C[C@H]1C(=O)NN	1936079790	GUGWEVZUPQKNEL-AEJSXWLSSA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2[C@H]3CCCC[C@H]32)n1	1937644963	VYPJUSSVOJLJIS-MYJAWHEDSA-N	220.081	-0.001	50	10	BBGE	
CN(CC(C)(C)CO)CC(C)(C)C(=O)NN	1938122145	LXFIGELSTOZOEW-UHFFFAOYSA-N	231.340	-0.047	50	10	BBGE	
C[C@@H]1CC(=O)N(CC2(C(=O)NN)CC2)C1=O	1938260823	VUXUHCWKXHJQNT-ZCFIWIBFSA-N	225.248	-0.849	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCN(C)C(=O)C(=O)NN	1940003429	PXKVTPSKBPOVQZ-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CN1CCC(N(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1941088378	PXSFIZHRHWTTPO-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941287520	GPTPKZLHEWNODL-CHWFTXMASA-N	241.335	-0.154	50	10	BBGE	
CN1CCN(CCOCC(=O)NN)CC1(C)C	1941784768	VPNSVSYAVPXDDI-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
Cc1oc(CN2CC[C@@H]2CO)cc1C(=O)NN	1944080118	LXOGDTHCPWBIOZ-MRVPVSSYSA-N	239.275	-0.242	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(CCOC3)C2)CC1	1945883476	ZPBZOMUTIFDMDX-NSHDSACASA-N	239.319	-0.131	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2C[C@@H]2CCl)n1	1955099196	CGGMBPPSXJTQCK-UHNVWZDZSA-N	215.644	-0.433	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCNS(C)(=O)=O	1957318999	REKPOIOEMNQLRM-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3CC[C@H]32)n1	1961717815	GPXXWEBVWOHUNB-NKWVEPMBSA-N	224.094	-0.188	50	10	BBGE	
CN(CCCC(=O)NN)c1ccnn1C	1961790504	VDHZRDLDTMKZNM-UHFFFAOYSA-N	211.269	-0.374	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@H]2CC[C@@H]21	1980228557	MNLMJUAEAHRYME-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C[C@H](C)C(=O)NN	1980748347	RKHXMACRWIEOQT-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
Cc1nc(N2CCC2(C)C)ncc1B(O)O	1981445901	PVZDGFPOVRCMPH-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
COc1nc(SCC(C)C)ncc1B(O)O	1981465611	OWSWZUMCSKRBPP-UHFFFAOYSA-N	242.109	-0.087	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982260042	GQPKRABFIOINND-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
CCCC(=O)N[C@H](C)c1nscc1B(O)O	1987174866	JXUHNFWIZNPYDT-ZCFIWIBFSA-N	242.109	-0.200	50	10	BBGE	
CO[C@H]1C[C@@H]1Cn1nc(C)c(B(O)O)c1C	1987769109	DETAQKZYVFLGEZ-BDAKNGLRSA-N	224.069	-0.785	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	1988837084	LAGASTVGUUCOPG-ZTKNNBQKSA-N	231.271	-0.700	50	10	BBGE	
C=C[C@]1(O)CCN(CCCCC(=O)NN)C1	1990540076	PEBARCKJQODCMY-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CS[C@@H](C)C1	1990746269	VCXXAAHUGCAMLH-CBAPKCEASA-N	245.348	-0.021	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1(F)CCC1	1990776192	HKHKRWFADNNDIW-UHFFFAOYSA-N	231.271	-0.022	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1991700112	NQCRZSCWSVHROM-TZEWKEBDSA-N	245.706	-0.044	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@@]1(CO)CO2	1991705645	HJKYHTHVWQOZAG-MCUNMECYSA-N	245.662	-0.330	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)cc1	1992167508	LUNRVLAZSCIMKU-UHFFFAOYSA-N	217.033	-0.260	50	10	BBGE	
NNC(=O)COCCN1O[C@H]2C=C[C@H]1CC2	1992327240	WYHTYRMADAJCRB-IUCAKERBSA-N	227.264	-0.673	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CCl)n1	1992548221	VUQAMOLYGVATCV-RRKCRQDMSA-N	241.682	-0.091	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1993219571	IWMRIRQTRDTCCD-QXEWZRGKSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](SCCOC1CNC1)[C@@H](C)C(=O)NN	1993411387	SFYQWFPSWMNDOK-SFYZADRCSA-N	247.364	-0.278	50	10	BBGE	
CO[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)NN	1998883814	KPHGBDQMBWCIQB-SFYZADRCSA-N	243.307	-0.314	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](c2cnn(C)c2)C1	2004400210	XFWXBXKLGVROAJ-BDAKNGLRSA-N	237.307	-0.412	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCCC2CC2)n1	2004932972	ALCNLXQFGRRVEZ-UHFFFAOYSA-N	236.080	-0.048	50	10	BBGE	
C[C@H]1CCC[C@@H]1Cn1cccc(B(O)O)c1=O	2008844139	KLWNMTFYPPNJPT-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
CN(CC(=O)NN)Cc1cc(C2CC2)n(C)n1	2011838738	WWTKBWGIIHFSBV-UHFFFAOYSA-N	237.307	-0.281	50	10	BBGE	
C[C@H](O)C[C@@H]1COCCN1C[C@@H](C)C(=O)NN	2013005813	NQJPPMFVZFNLOJ-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C)CCOc1ncncc1B(O)O	2014224107	HLAHRQDWWTWPND-MRVPVSSYSA-N	240.068	-0.792	50	10	BBGE	
CN(CCCO)C[C@H]1CCC[C@H](C(=O)NN)O1	2018242242	FEGRMIBLRYBHSY-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COc1cccc(C(N)=O)c1	2028045819	SIESDJHFSJYREF-PSASIEDQSA-N	249.270	-0.210	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H](C)[C@H](C)C2)n1	2052619295	DCUKFXYQHXPTSK-HTQZYQBOSA-N	249.123	-0.135	50	10	BBGE	
CCc1ccc(C#N)c(B(O)O)c1[N+](=O)[O-]	2060278592	JOXKOZJOMYZJSW-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cn1ccc(C2CN(C[C@H]3C[C@@H]3C(=O)NN)C2)n1	2074816439	UQBCZGDSFOEHOB-SCZZXKLOSA-N	249.318	-0.555	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1ncc(B(O)O)cn1	2086408409	JALOIMQYZSJJNK-SSDOTTSWSA-N	247.063	-0.715	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	2087008985	NDCWLRGNHYVNRQ-OHUYHCCCSA-N	249.314	-0.404	50	10	BBGE	
OB(O)c1csnc1COCC(F)F	2209703638	UQGPOEFCQMFNGQ-UHFFFAOYSA-N	223.009	-0.395	50	10	BBGE	
CCc1cnn(-c2cc(B(O)O)ccn2)c1	2212594392	GMYQKGXRNVXWCR-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
Cc1cnc(Sc2ncccc2B(O)O)[nH]1	2212599609	LJNAMRUIMYOZDE-UHFFFAOYSA-N	235.077	-0.056	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C1CSC1	2212602667	HSHZRVBHDWYLSV-ZETCQYMHSA-N	238.121	-0.075	50	10	BBGE	
CSCC[C@H](C)Nc1ncc(B(O)O)cn1	2212610162	DKALEKLKGXOQOD-ZETCQYMHSA-N	241.125	-0.290	50	10	BBGE	
C[C@@H](COc1ccccc1B(O)O)CN(C)C	2212986273	HOEPKWQKZIVNMS-SNVBAGLBSA-N	237.108	-0.057	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)CCOCC(=O)NN	2215008464	KTIGVJSTDLZQBA-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cc1cnn(C[C@@H]2CC[C@@H]2C(=O)NN)c(=O)c1	2215770621	CSMZTFOGLURZOY-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
Cc1ncnc(OC2C[C@H]3C[C@@H]3C2)c1B(O)O	2216578845	YQNVBRCRNANJIL-HTQZYQBOSA-N	234.064	-0.358	50	10	BBGE	
OB(O)c1ccnc(NC2(C(F)F)COC2)c1	2217176491	WWMWLQMBGLMYBV-UHFFFAOYSA-N	244.006	-0.793	50	10	BBGE	
CCO[C@H](C)CNc1nccc(B(O)O)c1F	2217180670	JGTLXLQEUPWTEC-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2nccc(B(O)O)c2F)CN1	2217187008	RSZWTQZVKYZIDI-RNFRBKRXSA-N	240.043	-0.970	50	10	BBGE	
C[C@@H]1COCCCN1c1cc(B(O)O)ccn1	2217200594	UGDZUKBTQNAMGO-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
C=CCC1(O)CN(Cc2cccc(B(O)O)c2)C1	2220057861	JJRXSRUUPNFPAC-UHFFFAOYSA-N	247.103	-0.511	50	10	BBGE	
CC1(C)CN[C@H](CNc2ccc(B(O)O)cn2)C1	2223639457	RISRJNXSTXDNMS-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(NCc2ncccn2)c1F	2223650290	KXRJDNYYQYJEAA-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@H](N)C2)cc1B(O)O	2223651018	UKUMPTGRUDHDKO-UWVGGRQHSA-N	249.123	-0.391	50	10	BBGE	
C[C@]12CNC[C@]1(COc1cc(B(O)O)ccn1)C2	2223662766	VFXGXWFRYKSCAX-RYUDHWBXSA-N	248.091	-0.860	50	10	BBGE	
CC1(C)CCC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223669824	OXVHYRNXMVJHGM-VIFPVBQESA-N	249.123	-0.184	50	10	BBGE	
C=C(F)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2241481655	WTVUYJIHANQLEH-LJGSYFOKSA-N	201.006	-0.161	50	10	BBGE	
CC(C)(C)C1(OCC(=O)NN)COC1	2242120487	KOIJOXODMBXPDD-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2F	2243349736	PWJWOHVHXUMRFK-BZNPZCIMSA-N	225.028	-0.745	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2C[C@H]21	2243350140	WDSKZVIHECTFEW-HTRCEHHLSA-N	221.021	-0.806	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243356858	NVQSYJDISWREQS-UHFFFAOYSA-N	220.037	-0.903	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C1CC(F)(F)C1	2243362498	RVYWVUZMXQPIBV-LURJTMIESA-N	231.007	-0.448	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2243365563	OGWYVZPZKPOUKD-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cncc(B(O)O)c1	2243376830	PXSQODLTKGCZBV-ZETCQYMHSA-N	220.037	-0.934	50	10	BBGE	
CN(CC1CC(O)C1)C(=O)[C@H]1C[C@H]1B(O)O	2243397251	XWTSNYXPCZCCRH-ABIFROTESA-N	227.069	-0.921	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2243400328	ZHBMJSXFBXQBBJ-XPUUQOCRSA-N	223.037	-0.512	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(C(F)(F)F)C1	2243420409	RVOYGOGFHSXNKU-RITPCOANSA-N	236.986	-0.130	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2243758409	FHUIBJNXNQGCDS-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C=CCOC1	2244128573	JYEAYMNOXKCVBH-MRVPVSSYSA-N	221.021	-0.905	50	10	BBGE	
C=CCN(OC)C(=O)c1ccsc1B(O)O	2244267151	ODEHMOCQIAHHPZ-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)C1	2244549094	YERVHBMEHGKKQR-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
CC1(OC[C@H]2CC[C@H](C(=O)NN)O2)COC1	2245007414	ANVNJJDBSBPFOL-HTQZYQBOSA-N	230.264	-0.671	50	10	BBGE	
Cc1nnccc1CN(C)[C@@H](C)C(=O)NN	2245402856	GVKSJIXKSSDFAP-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]2CF)ncc1Cl	2245913763	XRLADSMXLGPBFM-LURJTMIESA-N	244.462	-0.037	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C[C@@H]2CCCC[C@H]21	2246630352	NKLGHYKJKSRQPC-HBNTYKKESA-N	241.335	-0.008	50	10	BBGE	
CC1=C[C@H](NC(=O)c2coc(B(O)O)c2)CC1	2247722327	LJYNIVRBYLWPSJ-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C=C[C@H]1C2	2247746788	DMWXTQNMQBBDTF-CBAPKCEASA-N	232.048	-0.905	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCCCCF	2247765193	WTTZMGUTTAULKS-UHFFFAOYSA-N	242.059	-0.816	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CO)CC1	2247785482	LFEHFIZOTSDWRU-XHNCKOQMSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786997	JRQOVVVOIZOKDF-BZNPZCIMSA-N	240.112	-0.519	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)C1CC(B(O)O)C1	2247797117	GHKREPHUJXMHCS-SFVIPPHHSA-N	245.059	-0.516	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800695	ROXYAXPFEUUOFP-JXUBOQSCSA-N	241.096	-0.531	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247800888	URBNIQVWIULPDQ-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C	2247808012	JQYRJMCKWFJHJC-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247809380	YXNKVIXAIQDDRV-XFWSIPNHSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810363	WUUMUDBZUHNSEA-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(C(F)(F)F)CC1	2247846334	DVEUVBXFPIENKB-UHFFFAOYSA-N	248.997	-0.197	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CCNC2)C1	2247852665	XWAJLQIAMNCYCL-DTORHVGOSA-N	238.096	-0.939	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)C1CC(B(O)O)C1	2247859520	NLFBFDYGJBNTFI-RTBKNWGFSA-N	239.080	-0.606	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)C(=O)C1(B(O)O)CCC1	2247874956	RBCRLMNANIBFJW-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)C1(B(O)O)CC1	2247879942	WXPHWEFBKUQTKG-KWQFWETISA-N	238.096	-0.748	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)[C@H]1C[C@@H](B(O)O)C1	2247893434	RPEUZLXDIKXSON-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
C[C@]1(O)CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896161	XSXMUOZVTDCDOW-CDLYGTGVSA-N	241.096	-0.341	50	10	BBGE	
COC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897033	NGXRPXCIRLPXSS-FXPVBKGRSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897522	UHSNUSPMFRKQMD-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
NC[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247897997	ZIXOHEILOQORNA-JBDRJPRFSA-N	244.075	-0.863	50	10	BBGE	
O=C(NCCC1CCNCC1)[C@H]1C[C@H]1B(O)O	2247898555	FNBQDWCOCZTHCD-VHSXEESVSA-N	240.112	-0.645	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247899005	JJPLDXGLOGZLGF-QCLAVDOMSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@H]1CNC[C@H](F)C1)[C@H]1C[C@@H](B(O)O)C1	2247911508	WKHPGSZDCQVOJP-BZNPZCIMSA-N	244.075	-0.944	50	10	BBGE	
CC1(C)[C@@H](NC(=O)C2(B(O)O)CC2)[C@H]1C(=O)O	2248578775	SGIPLUHJTHRQMT-WDSKDSINSA-N	241.052	-0.781	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248589034	LEVVYLAGHOJLHB-XLPZGREQSA-N	243.068	-0.391	50	10	BBGE	
CCOCCOCCN1CCC(B(O)O)CC1	2249345219	HNXDKHJBRHWNHG-UHFFFAOYSA-N	245.128	-0.022	50	10	BBGE	
CC1(CF)CN(C(=O)c2cc(B(O)O)co2)C1	2249417728	KIDUDRYWXGYFQO-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2251031820	YEWUXASDFURURV-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](Cn3cccn3)(C1)OC2	2251810132	HLWARTPBRXHKET-QWRGUYRKSA-N	236.275	-0.188	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1coc(B(O)O)c1	2255455909	HGAOKMNOYIBXIL-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C=C=CCCNC(=O)c1cccc(B(O)O)c1F	2255503635	FMRCZONCXZFIPU-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ncccc2B(O)O)C[C@@H]1C	2255516359	KXLZIJUMQZWTDQ-DTORHVGOSA-N	248.091	-0.511	50	10	BBGE	
O=C(NCC1CC=CC1)c1ncccc1B(O)O	2255519841	CBIAYUXVFBBRQO-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2ccc(B(O)O)o2)C1	2255680007	OHIRROXCELLFDC-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255733637	ODQAYQJERMMOGP-SKDRFNHKSA-N	249.075	-0.169	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C(=O)C[C@H]2C)c1	2255736924	WDAWROKWAAOOGK-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
N#Cc1cnc(NC(=O)C2(B(O)O)CCC2)cn1	2255740659	DUROVSZKAFMLIE-UHFFFAOYSA-N	246.035	-0.316	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H]2C1)c1n[nH]cc1B(O)O	2255761753	LCLIRBGWLHMHCY-BQBZGAKWSA-N	249.079	-0.992	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1O	2256013773	IETILHKKYFEFGK-MRVPVSSYSA-N	249.075	-0.376	50	10	BBGE	
O=C(Nc1ncccc1O)c1cc(B(O)O)c[nH]1	2256918293	IOCBDRASQRTEDK-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375066	XMYMQXUNLYTSQV-KYXWUPHJSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCO[C@H]2C1	2298375210	ADAXXWYANJSKSC-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)[C@H]1C[C@@H]1B(O)O	2298375632	TUFHMBSYVILKPT-KBIXCLLPSA-N	239.080	-0.608	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1COC1	2301449867	AMBBHTNCSVRIQZ-UHFFFAOYSA-N	235.048	-0.986	50	10	BBGE	
CC(C)CNC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	2303125030	VKATYOHQVBEMEY-ZJUUUORDSA-N	242.128	-0.304	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C#N)N2CC[C@H]1C2	2303227753	IPNRTQJEEMFGKJ-AEJSXWLSSA-N	237.307	-0.963	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CNC[C@@H]1F	2303695551	CMMSZQUTELFMIP-XSPKLOCKSA-N	244.075	-0.992	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CC=CCO1	2317899580	XLPRQAAYSHGICR-GFCCVEGCSA-N	248.091	-0.092	50	10	BBGE	
OB(O)c1cc(OCc2cccnc2)ncc1F	2320801194	GNSIUNPVNBLIHU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Nc1[nH]c(=O)[nH]c(=O)c1C(=O)CCl	1723976	MKPYZDPKJIIYNG-UHFFFAOYSA-N	203.585	-0.933	50	10	BBGE	
NC(=O)N/N=C(/CCCC(=O)O)C(=O)O	14619636	MECXSGAYQLHRMS-WTKPLQERSA-N	217.181	-0.650	50	10	BBGE	
CCN(CC(=O)NC)C(=O)NC(=O)[C@H](C)Cl	42517090	POTAXWXBDVGSBM-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
CC(C)N(CC(F)(F)F)C(=O)C(=O)NN	42796604	GHSSBOQDHNZFFT-UHFFFAOYSA-N	227.186	-0.224	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)CCc1ccco1	49819959	MSQZLFKYNNKNDP-ZETCQYMHSA-N	225.248	-0.293	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@H]1CCC(=O)N1	70681396	LNEZGYFJTIYQFU-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CCOCC1	82467970	UYXRZCVVTYQOOU-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
Cc1oc(CN(C)CCO)cc1C(=O)NN	82468861	FWSKYIXDMWQVTG-UHFFFAOYSA-N	227.264	-0.384	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1cc(C(N)=O)cn1	82471513	NEAOABVFUYFAOQ-ZETCQYMHSA-N	225.252	-0.831	50	10	BBGE	
NNC(=O)CCCCCN1CCS(=O)CC1	82719873	HFZMRZPSCZTSMG-UHFFFAOYSA-N	247.364	-0.399	50	10	BBGE	
N#C/C(=C/C=C/c1cc(C(N)=O)c(N)o1)C(N)=O	108805382	KEJGKXAWTFKPKI-HTNNJDHISA-N	246.226	-0.091	50	10	BBGE	
C[C@H]1SCCN(C(=O)C(=O)NN)[C@@H]1C	132613386	KUUUMGWFTFOCMF-PHDIDXHHSA-N	217.294	-0.671	50	10	BBGE	
CC1(C)C(=O)N(C[C@H](O)CCl)S1(=O)=O	157850198	XEXBNIGYKKGYPU-RXMQYKEDSA-N	241.696	-0.463	50	10	BBGE	
COCCNC(=O)CNC(=O)[C@@H](C)CCl	161201393	OYRBORHPYQGICA-ZETCQYMHSA-N	236.699	-0.260	50	10	BBGE	
CCC[C@@H](N)C(=O)NNC(=O)C(F)(F)F	182107042	YBVVHHKVBIHNGT-SCSAIBSYSA-N	227.186	-0.177	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)C1	216476812	ZPQMUYLOWHALDU-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
N#CCCN/C=C(/C#N)C(=O)N1CCOCC1	217104382	FKEUNKFZSWNYMD-KTKRTIGZSA-N	234.259	-0.244	50	10	BBGE	
COC[C@H](S[C@H](C)CCN)C(=O)NN	232421714	KMIORMQTOHYMNG-RQJHMYQMSA-N	221.326	-0.538	50	10	BBGE	
OB(O)c1ccnc(NC2CCCC2)n1	238651329	KILYJKQJBGCVJA-UHFFFAOYSA-N	207.042	-0.489	50	10	BBGE	
OB(O)c1cnc(Cl)c(-n2ccnc2)c1	238653257	PPVKNVIJKUXFAZ-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
N#CC(=NNc1ccccc1C(=O)O)C(=O)NN	242495169	FXTXPVZJHGXILF-UHFFFAOYSA-N	247.214	-0.334	50	10	BBGE	
CCN([C@H](C)CN(C)C)[C@H](COC)C(=O)NN	300017828	DBPMJCOKSAHOSA-NXEZZACHSA-N	246.355	-0.737	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCNC(C)=O	308204707	XRTKBSBECBLHQZ-VIFPVBQESA-N	230.312	-0.787	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@H](CC)C(=O)NN	308821394	QRBHMKAUVYKDEC-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CC1(C)COC[C@H]1N1CC(=O)OC(=O)C1	313034852	WGTFITYXEJNBLG-SSDOTTSWSA-N	213.233	-0.203	50	10	BBGE	
Nc1nc(CCl)nc(N[C@H]2COC[C@@H]2O)n1	323704130	RKUZMCOHMUWOKJ-WHFBIAKZSA-N	245.670	-0.636	50	10	BBGE	
COc1cnn(CC(C)(C)C(=O)NN)c1	379790581	YXRUECHFNMGXJV-UHFFFAOYSA-N	212.253	-0.092	50	10	BBGE	
OB(O)c1cccc(Cn2cnc(C3CC3)n2)c1	394076749	BZXPJALBOWYHKV-UHFFFAOYSA-N	243.075	-0.116	50	10	BBGE	
CCOC(=O)CCc1cc(C#N)ccc1B(O)O	396094746	FCJAEBIMYKDBAP-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
N#Cc1c(B(O)O)cc2ccsc2c1CO	396223261	OKZKITLIHJWMKR-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H]1CSC	399994686	IXIHPYQAMGTHPY-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)c(F)c1	404915171	DUGGUWCYWOOMIR-OAHLLOKOSA-N	231.057	-0.399	50	10	BBGE	
CN(C)C(=O)Nc1cccc(B(O)O)c1	404992182	CSFMFMQNRYLNMS-UHFFFAOYSA-N	208.026	-0.540	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	405010842	WOELFYHKSWEOSJ-RQJHMYQMSA-N	220.037	-0.644	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)Nc1ccc(B(O)O)cc1	405025202	ZXPFIYNTCQCBPZ-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
OB(O)c1ncc(Oc2ccccc2)cn1	642880723	OIKUSQJTJYOCQC-UHFFFAOYSA-N	216.005	-0.051	50	10	BBGE	
Cn1nnnc1CC1=C[C@H](Cl)CNC1	675077481	NBQOXWCSLSVRDS-ZETCQYMHSA-N	213.672	-0.110	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCC[C@H]2NCCN[C@@H]21	685990269	PBRPDECAAVQWHZ-OPRDCNLKSA-N	226.324	-0.691	50	10	BBGE	
CO[C@H](Cn1ccc(B(O)O)n1)c1ccccc1	694306261	CPQXUNKVWPOMAN-LLVKDONJSA-N	246.075	-0.049	50	10	BBGE	
CC(C)C[C@@H](Sc1nncn1N)C(=O)NN	695123041	FYSAHGDHQKZNMW-ZCFIWIBFSA-N	244.324	-0.511	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cn(C)nn1	701999331	GCDILNVFITUROV-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1ccc(B(O)O)cc1	703517491	MPXPVTIXMRDMOA-CABZTGNLSA-N	236.076	-0.082	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1ccnc(B(O)O)c1	704175044	OXPBNRWLDQZMSI-SSDOTTSWSA-N	237.068	-0.319	50	10	BBGE	
CN1CCO[C@H](CN(C)C[C@@H](O)CCl)C1	707853547	FGIMTTILGWANRM-UWVGGRQHSA-N	236.743	-0.152	50	10	BBGE	
CC(C)[C@H]1CN([C@@H](C)C(=O)NN)CCO1	708953611	RBCWIKXEEVTEDB-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
CN(C)C[C@@]1(O)CCN(C[C@@H](O)CCl)C1	713624653	RYIJXQMECOPLIW-UWVGGRQHSA-N	236.743	-0.416	50	10	BBGE	
NC(=O)CC1CC(NS(=O)(=O)CCl)C1	718498598	PQVNJNUABQOWMG-UHFFFAOYSA-N	240.712	-0.244	50	10	BBGE	
N#CC1=C(N2CC[C@H](O)C2)S[N][C@@H]1N	725587650	QAORXBGXKGGPIX-FSPLSTOPSA-N	211.270	-0.661	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NN(C)C[C@H](C)O	822557588	MRVXNNDBFIOZLV-XLPZGREQSA-N	202.254	-0.635	50	10	BBGE	
COC(=O)N(C)NC(=O)C[C@@H](C)NC(N)=O	848055761	HQRYRNRUFMXTKB-RXMQYKEDSA-N	232.240	-0.837	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@]12CCCN(CC1)C2	897777282	JQMPZUULRUXQSC-JTQLQIEISA-N	236.279	-0.266	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NN=c1cc[nH]cc1	907256904	NWKLOURBDJBOFE-MRVPVSSYSA-N	225.248	-0.922	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2CCN2)C[C@H]1Cl	953103140	FGKHJKZCVLJHKP-PHDIDXHHSA-N	217.656	-0.493	50	10	BBGE	
Cn1ccnc(NNC(=O)[C@@H]2C[C@H]2F)c1=O	1160934606	OIHRDUQEYMUUHM-PHDIDXHHSA-N	226.211	-0.419	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1ncon1	1289417947	LNKHOXWNPJLDRX-UHFFFAOYSA-N	223.192	-0.620	50	10	BBGE	
CNc1cnc(C(=O)NN(C)C(N)=O)cn1	1351511418	NWRAAKDMWLUAHX-UHFFFAOYSA-N	224.224	-0.826	50	10	BBGE	
CCOC(=O)NNC(=O)CCCc1nn[nH]n1	1457487155	BGTYTCBBJWZIRH-UHFFFAOYSA-N	242.239	-0.700	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1	1471951013	BIXOAMFXCDVEBC-PFSWSTFISA-N	240.259	-0.569	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(B(O)O)cc1	1557329520	LAQVHHWTWGDTOK-UHFFFAOYSA-N	235.048	-0.396	50	10	BBGE	
CC(C)C(=O)NNC(=O)/C=C\C(=O)N(C)C	1587203150	DANUHNGTJSTNDW-WAYWQWQTSA-N	227.264	-0.566	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cncc(O)c1	1598459825	UCIXCICOWKCISW-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
CN(NC(=O)c1nnn(C)n1)c1ccccn1	1640778285	ORXNTZZQGSSOAP-UHFFFAOYSA-N	233.235	-0.614	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@H]1C[C@H]1Br	1877360076	RLTPLIOCDCQRTG-LMVFSUKVSA-N	249.064	-0.684	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2Br)CC(=O)N1	1877379968	IXXSGABFJOVMTC-PHDIDXHHSA-N	247.092	-0.272	50	10	BBGE	
O=C(O)CN(CCO)C[C@H]1C[C@H]1Cl	1883550354	DZNAAWHHUKHIJO-RNFRBKRXSA-N	207.657	-0.007	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1883639596	NPQHBQNCPCVZDR-UOWFLXDJSA-N	206.629	-0.858	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H](C)N	1888598411	GQRZPMVNHHGACM-LURJTMIESA-N	223.298	-0.965	50	10	BBGE	
CS(=O)(=O)[C@H]1CC[C@H]1NC(=O)CCl	1891676465	JHDGFBYPTSBQAN-RITPCOANSA-N	225.697	-0.083	50	10	BBGE	
CC[C@@H](C)N(C)CC(=O)NNC(C)=O	1892436425	PGJJDVMYOPYIFT-SSDOTTSWSA-N	201.270	-0.116	50	10	BBGE	
CC(C)[S@](=O)N[C@@H]1CCC=C1B(O)O	1892923575	HMAOACWILWXCJL-CLAHSXSESA-N	217.099	-0.251	50	10	BBGE	
CCN(CC)CCOC[C@@H]1C[C@H]1C(=O)NN	1895379127	FOPZXROHYQDKLU-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
COC[C@H](OC[C@H]1C[C@H]1C)C(=O)NN	1898714129	WXMWRHJDULTNKQ-PRJMDXOYSA-N	202.254	-0.336	50	10	BBGE	
OB(O)c1ccc(COC[C@H]2CCO2)cc1	1901306821	GQUIXGLTWMPZPG-LLVKDONJSA-N	222.049	-0.328	50	10	BBGE	
C=CCNCC(=O)NN(C)S(=O)(=O)C(C)C	1901340144	ZJDOJRCYAIKKQM-UHFFFAOYSA-N	249.336	-0.537	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)CC1(O)CC1	1901665044	CMSJOKNDEFGYDH-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
CN1CC[C@H](OCc2nc(B(O)O)cs2)C1	1902653801	PEOBTZMJKVDIQO-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1906988806	DGGWZIVUFNHISY-FOGDFJRCSA-N	241.335	-0.152	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC[C@@H]2COCCO2)C1	1928752575	FYAALWWZPLKXFP-UTLUCORTSA-N	234.727	-0.087	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)[C@H](F)C1	1929912428	HQUQUBKFJOCBEQ-HTQZYQBOSA-N	219.260	-0.839	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN(CCC(=O)NN)C[C@@H]21	1935841106	ZUVCRUSQBATOCA-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)CC(C)(C)O	1936088255	LPWGFCDIQSSIIN-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CCOCCN(CC)C[C@@H]1C[C@H]1C(=O)NN	1936089635	WLISKCJRRNHVQP-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CCCCN(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1936093796	HOSMYBVIHQZLAO-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CCCO2)C1	1936094971	RVNYXECLIDCLTJ-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1COC[C@H]1CCl	1937178499	ANXDJLKYFYKPOS-RQJHMYQMSA-N	245.670	-0.957	50	10	BBGE	
CC(C)[C@@]1(O)CCN([C@H](C)CC(=O)NN)C1	1937982735	YNECFBNKCZYIFY-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C1(Cn2ccc([N+](=O)[O-])n2)CC1	1938259021	LIVVBZBQEWGXGU-UHFFFAOYSA-N	225.208	-0.439	50	10	BBGE	
COCC(=O)N(C)Cc1sccc1B(O)O	1939887126	REJFEZOGKKBNEV-UHFFFAOYSA-N	243.093	-0.967	50	10	BBGE	
C[C@H](CN1CCO[C@@H]2COCC[C@@H]21)C(=O)NN	1940343971	POJATFFFWIDKHT-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1C(=O)N(C)C	1942613282	NLQRWCYNWHWZHT-HRDYMLBCSA-N	242.323	-0.837	50	10	BBGE	
COC1CC(C(=O)O)(N(C)C(=O)NN(C)C)C1	1945965514	CXBDMWDZCBIQOB-UHFFFAOYSA-N	245.279	-0.263	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC2(CCC2)C1	1946407437	IRJPZDLGZLPTLN-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949276702	HISMVFPYFMKWOW-MYJAWHEDSA-N	241.291	-0.859	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1951321886	LDEQCRSQDLRFKG-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CC(=O)NC1CN(C[C@@H](O)CCl)C1	1954820742	MMPJURIUBRUBRY-QMMMGPOBSA-N	206.673	-0.594	50	10	BBGE	
CC(C)C(=O)NCCCNC(=O)NN	1955302735	SKIQKHZVEPNBCP-UHFFFAOYSA-N	202.258	-0.678	50	10	BBGE	
C[C@@]1(CO)COCCN1C[C@@H](O)CCl	1956680256	CNWHNFCEEFXRFJ-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
N#C[C@H](Cl)CN(C1CNC1)C1COC1	1957257978	XHRUPDKVTJISAU-ZETCQYMHSA-N	215.684	-0.210	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)C(=O)NN)C1	1958955104	BVFRCKVVKIVDTR-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1959889312	SVSRKOSNCVTFFL-STNDOWJSSA-N	218.996	-0.594	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@H]1CCSC1	1961270528	HSZUEKYXUSQESZ-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1C(F)F	1961505492	ZVKSGHZNVPVJLA-PHDIDXHHSA-N	223.223	-0.669	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C[C@@H]2C)n1	1961686169	BGGORTGLVUXQLB-YLWLKBPMSA-N	208.026	-0.748	50	10	BBGE	
O=C1CN(C[C@@H]2OCC[C@H]2F)CC(=O)O1	1975256850	NROBSBHZABYBCF-RQJHMYQMSA-N	217.196	-0.501	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]12CC[S@](=O)C2	1975992027	FYZKABHVVGKIQR-FUXNSRLFSA-N	245.348	-0.648	50	10	BBGE	
OB(O)c1ccc(N2CC3(CCC3)C2)nc1	1981408866	GHXIRMOBLZSSFR-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC=C[C@H]1CO	1983182518	YTVIGYSQHLFGTR-VHSXEESVSA-N	227.308	-0.376	50	10	BBGE	
CC[C@@H]1CCN1c1ncc(F)cc1B(O)O	1988000202	PFCSKLJNFNSUAI-MRVPVSSYSA-N	224.044	-0.111	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](CO)C12CCC2	1988761896	QBWFSPPWTZXWBT-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	1989761463	OISQVOYCRJAQIM-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1990772458	JZGRBJZTBSPIQR-AATLWQCWSA-N	223.276	-0.506	50	10	BBGE	
COC[C@H]1CNCCN1C(=O)C=CC(=O)Cl	1991648476	OYYNUPJAEJMQQH-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
C=C(CN1CCS[C@H]2COCC[C@@H]21)B(O)O	1992145787	OHLDSURJCGLRHQ-UWVGGRQHSA-N	243.137	-0.239	50	10	BBGE	
CC(C)(CC(=O)NCC#CB(O)O)C1CC1	1992153931	TZANMDHRKKLCDM-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
Cc1nc(CN(C)[C@@H](C(=O)NN)C(C)C)no1	1997752372	MBTZVFDZKCHDJW-SECBINFHSA-N	241.295	-0.176	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCc2nnccc2C1	1998250338	ROYUAGFZSZDAQF-JTQLQIEISA-N	235.291	-0.397	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	2001044921	DGITUNDYRORIRG-USWWRNFRSA-N	241.335	-0.295	50	10	BBGE	
CCCn1ncnc1CN(C)[C@@H](C)C(=O)NN	2002658303	PSQFOJUMDHMVHB-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCOCC2)CC1	2003911018	IHXNYOCBAGYALN-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
Cn1nccc1[C@H]1CCCN1CCC(=O)NN	2004399618	RJJCCLRSECRYSS-SNVBAGLBSA-N	237.307	-0.063	50	10	BBGE	
CC1(C)CCCN(c2ncc(B(O)O)cn2)C1	2004911613	JCQUHXREOKPLDG-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)[C@@H](C)[C@H]1C	2004911625	JFXWCPROWQEUJM-VGMNWLOBSA-N	235.096	-0.363	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)C[C@H]1F	2004912535	UUHORIOLJGGCMG-WCBMZHEXSA-N	238.071	-0.054	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H](CF)C2)n1	2004970579	DXGGTOFDVKOIAR-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@H]3C[C@@H]32)n1	2004972437	FURPZWVEEWTOHG-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H](C)C(F)F)n1	2009013316	WHDLYQOIBBQDKX-YFKPBYRVSA-N	245.038	-0.445	50	10	BBGE	
CCc1ccn(-c2nccc(C)c2B(O)O)n1	2012154581	VPRYEOYJPBFRIK-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cn1cc(C2CN(CCCC(=O)NN)C2)cn1	2019134616	RHQUOOSHIHHUAJ-UHFFFAOYSA-N	237.307	-0.411	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CCCO1	2019213814	ODNMBOBLEJQHDQ-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1	2022196248	JOKMDDRAPQROLZ-SECBINFHSA-N	231.060	-0.635	50	10	BBGE	
CC#CCCNC(=O)c1ccccc1B(O)O	2022196707	QCFCRSXEOYRWNL-UHFFFAOYSA-N	231.060	-0.490	50	10	BBGE	
Cc1cc2n(n1)CCN(CC1(C(=O)NN)CC1)C2	2033704809	NQQXAGKNDOCTDH-UHFFFAOYSA-N	249.318	-0.223	50	10	BBGE	
Cc1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1B(O)O	2051854322	RKNMLQZUSYJISE-QWHCGFSZSA-N	247.103	-0.352	50	10	BBGE	
Cc1cc(N2CCN(C)C[C@H]2C)ncc1B(O)O	2052472638	MYAKZZVQHXQUJO-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C)[C@@H](C)C2)c1B(O)O	2052554341	SRGIGSYITSZLSV-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1CCc2cc(B(O)O)ccc21	2055631145	LEFRWTNRPOCBFW-VHSXEESVSA-N	249.050	-0.387	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1F	2060093907	HLUHABYPFZDXNR-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCOc1cc(B(O)O)cc(F)c1C#N	2060167940	BBIYULXUFCNANP-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
C[C@H]1C[C@]1(C)Cn1cnc2c(B(O)O)ncnc21	2070919409	WRAJUYOMGFWRIH-WRWORJQWSA-N	246.079	-0.448	50	10	BBGE	
Cc1cc(N2CC[C@@H]3COC[C@@H]32)ncc1B(O)O	2077844005	LLXQHTBGTJRFNE-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=C(CCl)N[C@@H]1CCC[C@@H](O)[C@@H]1O	2209100656	JZBFTLYYDMILSU-ATRFCDNQSA-N	207.657	-0.384	50	10	BBGE	
C#C[C@@H]1COCCN1C[C@@H](O)CCl	2209322033	INKDFPUCZHKDHY-BDAKNGLRSA-N	203.669	-0.080	50	10	BBGE	
O=C(O)[C@]1(C[C@H](O)CCl)C=CCN1	2209323562	YBCWVBNAVAFPTE-POYBYMJQSA-N	205.641	-0.041	50	10	BBGE	
Cn1ncnc1SC[C@H]1CC[C@H]1C(=O)NN	2211839408	UKLHLYSKKSACKD-RNFRBKRXSA-N	241.320	-0.077	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@]1(F)CCOC1	2212151618	FXZRHTDRMYQKHA-WCBMZHEXSA-N	233.287	-0.185	50	10	BBGE	
Cc1cnc(O[C@@H]2CCOC2)cc1B(O)O	2212606166	POICPNQUZULFNP-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1ncccc1B(O)O	2212612614	MLVNJSRWPDHMDC-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
OC[C@@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217176799	ANAHSNLCZCSVFY-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
NC[C@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217180562	UUKCPIDVUMQODB-HTRCEHHLSA-N	239.059	-0.950	50	10	BBGE	
C[C@H]1CCN[C@H]1COc1ccc(B(O)O)cn1	2217185327	VMEKXQVWAWUMEH-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
C[C@H](CC(C)(C)O)Nc1ncccc1B(O)O	2217200013	QGQJVTCYMAPQFJ-MRVPVSSYSA-N	238.096	-0.277	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)c1cc(B(O)O)ccn1	2217204612	MDSOTSQTOYMTAR-UWVGGRQHSA-N	232.092	-0.146	50	10	BBGE	
OB(O)c1cccc(CN2CC3(C=CCO3)C2)c1	2220074248	YBJVSGDVBHYDCT-UHFFFAOYSA-N	245.087	-0.493	50	10	BBGE	
C[C@@]1(C#N)CCCN(c2ncc(B(O)O)cn2)C1	2223635934	CZWRGBINCFODKC-NSHDSACASA-N	246.079	-0.714	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1CC[C@H]2O	2223643267	TZUBFQCDDBMQGC-FXPVBKGRSA-N	248.091	-0.889	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@@]12COc1ccc(B(O)O)cn1	2223652203	CTNBZRACJITGJB-UISBYWKRSA-N	248.091	-0.732	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCNC[C@H]32)c1	2223670339	WODMETINXPMQIM-GMTAPVOTSA-N	247.107	-0.971	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@H]2CNC3)c1	2223678186	YMCZKBGDGPTNOO-QWRGUYRKSA-N	247.107	-0.908	50	10	BBGE	
O=C(NC1CSC1)C1CC(B(O)O)C1	2241474444	CXXPEKRYVDVQMR-UHFFFAOYSA-N	215.083	-0.529	50	10	BBGE	
N[C@H](CO)C(=O)NN(C1CCC1)C1CCC1	2243274636	IYCMWLXXWOKJBF-SNVBAGLBSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1nncs1	2243285389	QTAYAUUZAPCOOE-BQBZGAKWSA-N	243.336	-0.016	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	2243350196	XKDFJORAMCXPNT-KXUCPTDWSA-N	221.065	-0.446	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]1CC1CCC1	2243357027	QFJPULZTSHZKDF-JTQLQIEISA-N	221.065	-0.207	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCN1	2243364683	AVDDUSLEWGQKIF-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243365203	JFQOHYGJYILMHA-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
N#CCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243380968	BDVOZECOHCRBRK-DTORHVGOSA-N	222.053	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@@H](O)C1	2243382397	NWYODBLWFJRNRN-HLTSFMKQSA-N	227.069	-0.777	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)[C@H]1C[C@H]1B(O)O	2243383513	ZDADRDBVKQSVGB-UYXSQOIJSA-N	227.069	-0.874	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)cc[nH]1	2243391285	ISXPRGOOWYEIAY-IUCAKERBSA-N	220.037	-0.387	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCNC1	2243395645	ABHRNRQOHGIHBS-AMDVSUOASA-N	226.085	-0.940	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)[S@@](C)=O	2243396000	FYHFPRNZWNYJJV-SMPKHWKESA-N	247.125	-0.877	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cscc1B(O)O	2243399304	YPKDLCOIGBNZCT-MUWHJKNJSA-N	239.105	-0.044	50	10	BBGE	
Cc1nc(C(=O)N(C)C(C)C)c(B(O)O)s1	2243403874	FFUVHOVHBDOHKL-UHFFFAOYSA-N	242.109	-0.388	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2243414439	AUKLTRHLZBBRKS-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
C=C(CS(=O)(=O)NCC1CCCC1)B(O)O	2243432886	FNYCKBSPPWTCGZ-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CC1)C(=O)O	2243759043	PWXUYCJDMKKBMM-ZCFIWIBFSA-N	229.041	-0.780	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@]1(C)CCNC1=O	2245142453	VROYGFOHCZDUGD-ANLVUFKYSA-N	247.682	-0.282	50	10	BBGE	
CN(CC[C@@H]1CCO1)CC(F)(F)C(=O)NN	2246210062	NHYJRXKCNFKVKK-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
COC1(C(=O)NCC=CB(O)O)CC(CF)C1	2247452348	PGFFPSDYHIEBPC-UHFFFAOYSA-N	245.059	-0.565	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1coc(B(O)O)c1	2247733074	LXPWIQBZTAIJKX-ZETCQYMHSA-N	236.036	-0.666	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1ccoc1B(O)O	2247737020	BDOWKTYWTOXQBA-JGVFFNPUSA-N	241.027	-0.420	50	10	BBGE	
N#CCCCCNC(=O)c1ccoc1B(O)O	2247739906	CPMHQVPMEUBGTN-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247753021	AEVYEOWLFQYFQI-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787428	OZRWUGWLXMTKLL-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C=CCC[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247796723	CBRNIGUPGDBAAK-RTBKNWGFSA-N	241.096	-0.317	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799531	FAEVPPISCLDWCX-MGCOHNPYSA-N	233.076	-0.229	50	10	BBGE	
N#Cc1cccnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247800537	PYGUUHUMIOSYBM-HTQZYQBOSA-N	231.020	-0.245	50	10	BBGE	
CC1(O)CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247806378	FKRDEJUUYVTUQL-QMFGVRBNSA-N	241.096	-0.341	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@H]1F	2247848917	SBPIYDDMXNJZMA-POYBYMJQSA-N	240.043	-0.876	50	10	BBGE	
COC[C@H]1CN(C(=O)C#CB(O)O)CC1(C)C	2247851513	ZODYQOGNCIEPIP-SECBINFHSA-N	239.080	-0.867	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CCC2)CC1	2247853324	KJFISIJIEVXXKC-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)C1CC(B(O)O)C1	2247860672	ZROOWVQVZHRSJB-NFTFJBJSSA-N	243.112	-0.239	50	10	BBGE	
CC[C@@]1(NC(=O)C2CC(B(O)O)C2)CCOC1	2247890652	APJGEDGSHKCYDS-NWGYLPEXSA-N	241.096	-0.075	50	10	BBGE	
Cc1nnc(CNC(=O)C2CC(B(O)O)C2)o1	2247892529	CIVYIUXKVDVGGW-UHFFFAOYSA-N	239.040	-0.753	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2247894744	KKVZBJLTRPUHBF-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1B(O)O	2247895572	UCSIDXZIWGDQAH-BBBLOLIVSA-N	242.128	-0.448	50	10	BBGE	
O=C(NC1([C@@H]2CCNC2)CC1)[C@@H]1C[C@@H]1B(O)O	2247899551	OBBARVLFVGXFKL-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
C[C@@]1(N)CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247905963	WDEXKQMQQDBLRW-WCABBAIRSA-N	240.112	-0.421	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@H]21)C1CC(B(O)O)C1	2247906357	YCDCAKSPPKWBHK-ANQZYXBKSA-N	239.080	-0.467	50	10	BBGE	
C#CCC(=O)N1CCc2c(B(O)O)cccc21	2248395586	NRJVBVBYAUQLRH-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CC#CCCC(=O)Nc1ccnc(B(O)O)c1	2248445622	OZFAJNXVVDLFMI-UHFFFAOYSA-N	232.048	-0.497	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248574626	BZHIAKNOUHCCLI-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1C(=O)O	2248575553	BAHWCTBRPJSDMA-WCTZXXKLSA-N	241.052	-0.829	50	10	BBGE	
O=C(O)[C@H]1C=CCCN1C(=O)C1(B(O)O)CC1	2248586837	IBRXFBMOMHFXAK-SSDOTTSWSA-N	239.036	-0.765	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2(CC2)CO1	2249417665	JAFRWGQFYWNPGH-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
O=C(Nc1cnoc1)c1cccc(F)c1B(O)O	2255499752	DQOQJBCQHISJDA-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255530879	OJGORFTVBIDFNF-JTQLQIEISA-N	246.075	-0.448	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2ncccc2C1	2255572601	ZUUHPJHXMLNHRW-VHSXEESVSA-N	246.075	-0.171	50	10	BBGE	
Cc1ccnc(C(=O)NC2[C@H]3CC[C@H]23)c1B(O)O	2255580578	FDSMOULTRBZFBV-YUMQZZPRSA-N	246.075	-0.792	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1ccoc1B(O)O	2255717441	KHMIJJCEMXGRBF-ZJUUUORDSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(F)ccc1B(O)O	2255721264	VOCWBQVWDVWBQW-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1coc(B(O)O)c1	2255724835	RWYJVOWUAQOMOI-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1c(C)cccc1B(O)O	2255730545	OKGGIKMHSQVCIP-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC2(CCC2)C1	2255765713	UCGZDZSTQAKHJC-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2258945626	JHSOZTHSCZLHKB-JTQLQIEISA-N	247.059	-0.413	50	10	BBGE	
Cc1c(O)cccc1C(=O)NCCC#CB(O)O	2258953675	DSIUBSQSMQOXTB-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C=C[C@H]2C3)CCC1	2298188112	GRAYZPRUZMRNIZ-BDAKNGLRSA-N	235.287	-0.067	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1S[C@@H]1CC[C@@H]1O	2301341972	VBAHKXMIZKCUEK-GXSJLCMTSA-N	249.100	-0.147	50	10	BBGE	
CC1(C)CO[C@@H](CN2CC[C@@H](B(O)O)C2)CO1	2303156123	UBPGWUQSCVOPRQ-ZJUUUORDSA-N	243.112	-0.271	50	10	BBGE	
CC[C@@](C)(CN1CCOCCC1=O)C(=O)NN	2303439477	UMUPBEWQLBMGPG-NSHDSACASA-N	243.307	-0.359	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1cocc1B(O)O	2313082609	SAZQUZDZUJGXLW-FYBVGQRMSA-N	249.075	-0.122	50	10	BBGE	
CC(C)(O)CCNc1ccc(B(O)O)cc1C#N	2317151252	OMXDWINGNDWROJ-UHFFFAOYSA-N	248.091	-0.189	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCC[C@H]1N	2317166741	YRAFTSFJBDVRER-PWSUYJOCSA-N	245.091	-0.470	50	10	BBGE	
CCc1nccn1-c1ccc(C=O)c(B(O)O)c1	2317311824	WDRUIFUUNHVJCN-UHFFFAOYSA-N	244.059	-0.073	50	10	BBGE	
COC(=O)[C@H](CC(=O)NN)C1(O)CCCCC1	3187079	GMYGIAXFQDCALU-QMMMGPOBSA-N	244.291	-0.149	50	10	BBGE	
O=C1NC[C@@H](I)C(=O)N1	3649501	YGKCTZPSAOUUMT-UWTATZPHSA-N	240.000	-0.371	50	10	BBGE	in-vivo
CCCNC(=O)[C@@H](C)NC(=O)NC(=O)CCl	49230990	JXEOHHNIZJYTRQ-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
NNC(=O)CCNCCCN1CCCCC1	58838498	GRXOFGWLIAKKGF-UHFFFAOYSA-N	228.340	-0.168	50	10	BBGE	
CN(C[C@@H](O)CO)C(=O)NCCCl	60265528	IUFNSOSJFZRPRI-ZCFIWIBFSA-N	210.661	-0.780	50	10	BBGE	
CNC(=O)COc1ccccc1C(=O)NN	66056678	ONQXYEAAPBRMKA-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
C[C@H]1Nc2ccccc2N(CC(=O)NN)C1=O	76890677	OKPBCOBYJVZJDZ-SSDOTTSWSA-N	234.259	-0.177	50	10	BBGE	
NNC(=O)c1cc(-c2ccncc2)nnc1O	77060094	PMUZKPNRBITVHX-UHFFFAOYSA-N	231.215	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCNCC1	82470528	WUGAKLQEMJXKDG-QMMMGPOBSA-N	200.286	-0.950	50	10	BBGE	
Cc1ccc(=O)n(CCCC(=O)NN)n1	82471722	AMZCKADOKSZTPW-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
NNC(=O)CCCCCN1CCNCC1	82719875	IZERPTUPMDCTFX-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H](C)CN	85336702	DPFYVIJNCFEUPB-LURJTMIESA-N	219.310	-0.518	50	10	BBGE	
CN(C)NC(=O)N1CC[C@](C)(C(=O)O)C1	149105261	RLKIHBWHOMYXAU-VIFPVBQESA-N	215.253	-0.031	50	10	BBGE	
COC(=O)NNC(=O)Cn1cccc(C)c1=O	158668730	ZIBAVPXOSBIFDX-UHFFFAOYSA-N	239.231	-0.456	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1CC(O)C1	211964237	LBKKDCVFEVFLGP-UDNWOFFPSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227214974	YNMHHRCHPNCXJY-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(C(=O)NC)C1	300711807	BGAMNRYKVDQYGN-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@@](O)(CO)C1	306170443	SDGWCQJPXCTOCC-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
O=C1C[C@H]2O[C@H]1[C@H](Br)[C@H]2O	306327684	NCKMEAMUSJYNMT-ARQDHWQXSA-N	207.023	-0.149	50	10	BBGE	
CCS(=O)(=O)N[C@H]1COC[C@H]1Cl	306400371	OHMUFKCFIMNWLM-RITPCOANSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1COC[C@H]1O	306497545	AZJZOLNEWWFFAB-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
O=C1CN[C@@H]2C[C@H](Br)CN[C@@H]2N1	307411066	KBMVEVGFRYNIEP-HBPOCXIASA-N	234.097	-0.843	50	10	BBGE	
Nc1c(B(O)O)ccc(OC(F)(F)F)c1F	322280439	RBTFBPYJLXIDBW-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCN(C)NC(=O)[C@H](C)S(C)(=O)=O	379396730	JDJINJAQLVCKGK-LURJTMIESA-N	208.283	-0.598	50	10	BBGE	
C[C@@H](CN1CC(CN(C)C)C1)C(=O)NN	382239834	AEURQPAYAYUBPB-QMMMGPOBSA-N	214.313	-0.894	50	10	BBGE	
N[C@H](CC(/C=C(\O)C(=O)O)=C\C=O)C(=O)O	390234859	FNEGJFDTWWXQES-BFBQCJPDSA-N	229.188	-0.560	50	10	BBGE	
O=CCCc1cccc(S)c1B(O)O	396033689	QYWCNWICUVITON-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
Nc1cc(C(=O)O)c2ccsc2c1B(O)O	396236994	FKVMLHYLBDKFQC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H](CN1CC[C@H](CN(C)C)C1)C(=O)NN	689159454	ONXFCFPJFVJUQP-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H](O)C(F)F	703411777	MWAQYPCDVIURTI-PBXRRBTRSA-N	235.186	-0.471	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)C[C@H]1CO	704010955	MWRUBAMXHTWVJY-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)N	704704954	BRJFQPKMOIMCKV-ZCFIWIBFSA-N	201.270	-0.131	50	10	BBGE	
CN(Cc1nnn(C)n1)[C@@H]1COC[C@H]1Cl	709158254	HHJRCFWOYBARPT-RNFRBKRXSA-N	231.687	-0.352	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CNC[C@@H]1C(F)(F)F	720780797	NUYAPBVJQRAOOU-RITPCOANSA-N	225.214	-0.023	50	10	BBGE	
CCNC(=O)NNC(=O)Cn1ccnc1	746166887	JLWUCGAAWLETIM-UHFFFAOYSA-N	211.225	-0.767	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1cccc2ncnn12	782161666	FENGEGQFKUUZSF-UHFFFAOYSA-N	245.242	-0.100	50	10	BBGE	
C[C@H]1C(=NNC(=O)CS(C)(=O)=O)CO[C@@H]1C	863184251	VBCOONZCKIXDCP-RNFRBKRXSA-N	248.304	-0.442	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NNc1nnc(C)n1C	1118883721	GJDPZPKVIRZOMK-RXMQYKEDSA-N	240.267	-0.909	50	10	BBGE	
N#Cc1ccc(NNC(=O)C2(O)COC2)cc1	1295292194	MBMDHQPKWLDZFO-UHFFFAOYSA-N	233.227	-0.237	50	10	BBGE	
O=C(CO)NN=Cc1cnn2cccnc12	1324945215	KRGSPTGPRYGUIJ-UHFFFAOYSA-N	219.204	-0.828	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCc1cn(C)nn1	1334203431	RKDGVUDLCMMNNV-QMMMGPOBSA-N	241.295	-0.909	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ncc(F)cn2)CO1	1466131050	CRQRJAUFEDPCLQ-RXMQYKEDSA-N	241.182	-0.833	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCC(N)=O	1538889019	LTLSWCOBWPZVBG-UHFFFAOYSA-N	201.226	-0.945	50	10	BBGE	
C#CC1(O)CN(C(=O)[C@@H]2C[C@H]2Br)C1	1877355489	BCFPLOOXEXVVFQ-RNFRBKRXSA-N	244.088	-0.024	50	10	BBGE	
CN(N)C(=O)CN(O)C(=O)OC(C)(C)C	1879944921	HPJBDANVPBJCQS-UHFFFAOYSA-N	219.241	-0.055	50	10	BBGE	
Nc1[nH]nnc1C(=O)NC1CC(Cl)C1	1884411906	KBVHJCJKFGWQET-UHFFFAOYSA-N	215.644	-0.114	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC(CF)CF	1886033560	OTPRABAYKLGKGA-IYSWYEEDSA-N	208.208	-0.063	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COCCF)O1	1886033967	TWCBDJQXCZMJSJ-RNFRBKRXSA-N	206.217	-0.490	50	10	BBGE	
O=C(CBr)N1CC([C@H](O)CO)C1	1887274078	SUXJZCGJNRLOKK-ZCFIWIBFSA-N	238.081	-0.807	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)[C@H](C)CO	1888441306	SEKZOANHLVRSMW-BWZBUEFSSA-N	203.286	-0.687	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)C(=O)C(=O)NN	1888816694	DFIGBSBGLQUPKD-RITPCOANSA-N	203.217	-0.960	50	10	BBGE	
CO[C@@H]1COCCN(C[C@@H](O)CCl)C1	1893382884	UGSKKQMRTMIHOY-IUCAKERBSA-N	223.700	-0.067	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)CC[C@H]1CO	1897219265	HUVHSEGVHJZHLL-JGVFFNPUSA-N	246.694	-0.524	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]1C1CCC1	1897466197	SCGFLCIUNWDEMS-VHSXEESVSA-N	221.065	-0.446	50	10	BBGE	
CN1CCC2(CCN(CC(=O)NN)CC2)C1	1899569634	UYYHXFDBYQSNGJ-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cnsc1B(O)O	1900451160	MAXXXSCLEVCNMZ-ZCFIWIBFSA-N	242.109	-0.403	50	10	BBGE	
CCOCCOc1cc(B(O)O)c(F)cn1	1903021227	RCBYZNIVMYHWJP-UHFFFAOYSA-N	229.016	-0.684	50	10	BBGE	
C[C@H](CC(=O)NN)n1ccn2nccc2c1=O	1905541827	WJSFNVGFFCKBJW-SSDOTTSWSA-N	235.247	-0.563	50	10	BBGE	
CCS(=O)(=O)N(C)CCCC(=O)NN	1913807864	NTSXAEAWVAFWJM-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
CN(C1COC1)[C@H](C(=O)NN)C(C)(C)C	1915655795	DIFFKZJPMJCAGF-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
COCC1CN([C@H](C)CCC(=O)NN)C1	1916281787	RLXNSXCAKWCMIS-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CC(C)CCN(CCO)[C@@H](C)C(=O)NN	1924502094	OAODRJVFAJTMNH-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
Cn1[nH]cnc1=N[C@H]1COC[C@H]1CCl	1930293177	KRGOOYGJHQKVAX-RQJHMYQMSA-N	216.672	-0.097	50	10	BBGE	
Cn1ncnc1N1CCC(O)(C#N)CC1	1930295053	JDQMQRYABHBUPZ-UHFFFAOYSA-N	207.237	-0.330	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)[C@H](C)Cl	1931191759	YTMOQKAMMGBGSJ-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
C[C@H](O)CCN(C)CC1(C(=O)NN)CC1	1931265774	VFTOSECLNXDXPM-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O[C@H]1CN(C[C@@H](O)CCl)CC1(F)F	1931832973	YSIDQUKQVCGUQU-WDSKDSINSA-N	215.627	-0.102	50	10	BBGE	
C[C@H]1CN(C)CCN1CC(F)(F)C(=O)NN	1935943768	GQTBRVAZENFUJM-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
CC(C)N(CCOCC(=O)NN)C[C@@H](C)O	1936531767	UYSPAEZRGNLROK-SECBINFHSA-N	233.312	-0.916	50	10	BBGE	
NNC(=O)c1cncc(CN2CCOCC2)c1	1940581099	IPBBXTIBUPMZJV-UHFFFAOYSA-N	236.275	-0.483	50	10	BBGE	
C[C@@]12C[C@@H]1C(=O)N(CC1(C(=O)NN)CC1)C2=O	1946990841	NEQSCCQZMGYYTG-LHLIQPBNSA-N	237.259	-0.849	50	10	BBGE	
CCOCCNC(=O)N1CC[C@H](B(O)O)C1	1951320411	KIKNBKYCKBYJNF-QMMMGPOBSA-N	230.073	-0.719	50	10	BBGE	
CNC(=O)CN(C)C[C@H](O)CBr	1953618376	QIGDFDPCALZOPW-ZCFIWIBFSA-N	239.113	-0.580	50	10	BBGE	
C[S@@](=O)(=NC(=O)NN)N1CCCC1	1953876978	SNSNULIQXCBFNU-CYBMUJFWSA-N	206.271	-0.322	50	10	BBGE	
C[C@@H]([C@@H]1CCCOC1)N(C)CC(=O)NN	1960969753	ARXXURDCEROBDK-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COCC1(C(=O)OC)CN(C(=O)CCl)C1	1962250125	XHKHJQZOSGHZNE-UHFFFAOYSA-N	235.667	-0.127	50	10	BBGE	
Cc1ncn(C)c1C(=O)N1CC[C@@H](B(O)O)C1	1964510210	JBJFKVXAAIZJKF-MRVPVSSYSA-N	237.068	-0.583	50	10	BBGE	
CC(C)(C)[C@]1(CO)CCN(CC(=O)NN)C1	1976923129	ZIMGNWAXVCGFON-LLVKDONJSA-N	229.324	-0.293	50	10	BBGE	
Cc1cnc(CCN(C)C(=O)C(=O)NN)s1	1980808686	ZJZATGPFEPFBTO-UHFFFAOYSA-N	242.304	-0.558	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CC[C@H]3C2)nc1	1981413223	CZMYFHMVUZSQEM-YUMQZZPRSA-N	219.053	-0.997	50	10	BBGE	
CSC1CN(c2ncc(C)cc2B(O)O)C1	1981468553	DPTUGSXQGPQRHD-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
Cc1nc(N(C)[C@@H]2C[C@H]2C)ncc1B(O)O	1981530665	PDTGZTQNKMNABR-HZGVNTEJSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21)C(=O)NN	1982000513	RTZOJWIBKNRXGD-JGKVKWKGSA-N	223.276	-0.521	50	10	BBGE	
CN(C)NC(=O)N1CC(C[C@H](F)C(=O)O)C1	1984109982	NVVDZKALTLZGLH-ZETCQYMHSA-N	233.243	-0.083	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1C1(O)CC1	1987339722	CCGQHQILHQSEBP-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
C[C@@H]1C[C@]1(C)Cn1cccc(B(O)O)c1=O	1988992465	BEIZQWFTORQPPX-LDYMZIIASA-N	221.065	-0.426	50	10	BBGE	
CC1CN(C[C@H]2CCC[C@@H](C(=O)NN)O2)C1	1990165421	YKMBNNHWCWPTPC-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(NC(=O)C=CC(=O)Cl)c1nn[nH]n1	1991662476	LIVJIGNQRBNSHO-UHFFFAOYSA-N	243.654	-0.127	50	10	BBGE	
CC1(C)[C@@H](O)[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1991705177	BGMQQGNLMCPSCZ-IWUIAWNVSA-N	247.678	-0.349	50	10	BBGE	
C=C(CN1CC[C@H]2CN(C)CC[C@@H]21)B(O)O	1992152237	BTOZNMLGPDMWIB-QWRGUYRKSA-N	224.113	-0.419	50	10	BBGE	
C[C@@H](O)CN(CCCCC(=O)NN)C[C@@H](C)O	1997349643	DLLXKGWPDRYAFT-NXEZZACHSA-N	247.339	-0.790	50	10	BBGE	
C[C@]12CN(CC3(C(=O)NN)CC3)C[C@]1(CO)C2	2001045973	LLSQOUYRGKKNKX-JQWIXIFHSA-N	239.319	-0.539	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCO[C@@H]2C[C@H]21	2004487610	YTTDZZBSYWITIM-RKDXNWHRSA-N	237.259	-0.144	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2c1ncc(B(O)O)cn1	2004911137	CYFGYTYHMHHTKQ-GZMMTYOYSA-N	233.080	-0.465	50	10	BBGE	
CCOc1cnn(-c2ncccc2B(O)O)c1	2005005929	XPYDTCPRAAXHEQ-UHFFFAOYSA-N	233.036	-0.654	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2010993948	AEJLCBGSOMPNTR-VLEAKVRGSA-N	241.335	-0.439	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@@H](C)[C@H](C)C(=O)NN	2014232073	AOMYORAQDCYPML-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCOCC2)O1	2018243523	UHEBKMSWRDKFGX-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)C[C@H]1C	2019208274	FWFOHEIEPDGTOU-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cncn1C	2019212005	ROOHOMZYIHHNIZ-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
COC[C@@]12C[C@H]1CN(CC(=O)NNC(C)=O)C2	2019212591	UENQLXXECNPVGG-ONGXEEELSA-N	241.291	-0.878	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@@H](CCCN2C)C1)B(O)O	2021159179	OQYNYFBGDSXLBB-NWDGAFQWSA-N	238.140	-0.029	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@H]1CO)c1ccccc1	2031686804	PPXBNRYRYJQLBZ-RYUDHWBXSA-N	249.314	-0.173	50	10	BBGE	
CC(C)OC1CN(Cc2ccc(B(O)O)cc2)C1	2040866049	HFPHKZORTKEFNI-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@]12CCOC2	2052490496	CVXRIIQRQZJKSN-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
CCOc1cc(F)c(B(O)O)cc1[N+](=O)[O-]	2060124713	CDNNXOSIVGTILW-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCc1cc(C#N)c([N+](=O)[O-])c(B(O)O)c1	2060281958	ZDPLMIUHPIRIEH-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	2079007871	AVXRNVPUDWYMIE-MWLCHTKSSA-N	249.075	-0.869	50	10	BBGE	
NNC(=O)COCCS[C@H]1CCNC1	2210076521	QLAYRXFHRGVYTO-ZETCQYMHSA-N	219.310	-0.912	50	10	BBGE	
CC[C@](C)(CN)Oc1ncccc1B(O)O	2212605024	WNNFWOTVKYDHPL-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CC[C@H]1CC[C@H]1Nc1ncc(B(O)O)cn1	2212613628	XPSPXSNDVPJJKN-IONNQARKSA-N	221.069	-0.243	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213882178	ISTOQJFZWNRYFP-CIUDSAMLSA-N	247.314	-0.204	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1cc(B(O)O)ccn1	2214995542	UEWVTJGAAIBRMN-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)C1(CN2CC=CC[C@@H]2CO)CCC1	2216493368	DQBIGBHKHZPTKQ-SNVBAGLBSA-N	239.319	-0.231	50	10	BBGE	
C[C@](CN)(Oc1ccc(B(O)O)cn1)C(F)F	2217188407	NSSVXHHSUNXCMF-SECBINFHSA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CO[C@@H](C3CC3)C2)nc1	2223637671	REVJANKCAALHTC-NXEZZACHSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CC3(CC3)CO2)nc1	2223651162	ASBOGMUUGHUBMT-SNVBAGLBSA-N	248.091	-0.258	50	10	BBGE	
C[C@]12CO[C@](CNc3ccc(B(O)O)cn3)(C1)C2	2223652345	IOFNAEDHCOFRMM-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
CCc1cc(CNc2cc(B(O)O)ccn2)on1	2223665061	BPQXPIPVKGNLSY-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Nc1cncc(CNc2cc(B(O)O)ccn2)c1	2223672620	UMJGHNXCBOIWQO-UHFFFAOYSA-N	244.063	-0.649	50	10	BBGE	
CCC(F)(F)C(=O)NCC=CB(O)O	2241554938	IDVSKDFFAIPOQT-UHFFFAOYSA-N	206.985	-0.284	50	10	BBGE	
CN(C[C@@H](F)C(F)(F)F)C(=O)C#CB(O)O	2243348830	ALMQEYKTLWLAAV-RXMQYKEDSA-N	240.949	-0.639	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1NC(=O)C1(B(O)O)CC1	2243364492	XXUWXUOQUIWPLQ-RNFRBKRXSA-N	227.069	-0.731	50	10	BBGE	
C=CC1(NC(=O)c2sccc2B(O)O)CC1	2243375821	ZAOHIBDUCXEWPW-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
CCNC(=O)c1c(OC)cccc1B(O)O	2243377770	GUJFCDODLPIRCD-UHFFFAOYSA-N	223.037	-0.875	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCO[C@H]2C[C@@H]21	2243391599	MLAPUVRIWDTWLI-PEBLOWIWSA-N	225.053	-0.761	50	10	BBGE	
C[C@H](O)C[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396173	ISUKHMAJCVBWJC-BZNPZCIMSA-N	229.085	-0.485	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccc(B(O)O)o1	2243401968	ZTYYOEHDCQDLAR-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CCN(O)C(=O)c1c(F)cccc1B(O)O	2243409143	BTKIBVSTEHEWGG-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
O=C(N[C@H]1COCC1(F)F)C1(B(O)O)CC1	2243409479	ISQZDDQLXPSZMT-YFKPBYRVSA-N	234.995	-0.856	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)C1	2243410635	FMTFMFOVNHTPDG-ZKCHVHJHSA-N	227.069	-0.465	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ncc[nH]1	2243411572	WLFZLSCSXWHBQY-LURJTMIESA-N	223.041	-0.406	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243419721	FPBWRZIHTWDMRS-QMMMGPOBSA-N	239.105	-0.044	50	10	BBGE	
C[C@H](NC(=O)C(F)F)c1cc(B(O)O)cs1	2243665044	PIVATOWPTZNMBX-BYPYZUCNSA-N	249.047	-0.130	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1cc(B(O)O)c[nH]1	2244014845	OMBXOXIYODMADG-LJGSYFOKSA-N	242.471	-0.806	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CS[C@H]2CCNC2)O1	2244637601	NAFJCRAWHLWFCD-HRDYMLBCSA-N	245.348	-0.381	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@]1(C)C[C@@H]1C	2247732096	BSJLHOJREFKABM-KGFZYKRKSA-N	237.064	-0.204	50	10	BBGE	
C=C(C)CCCNC(=O)c1cc(B(O)O)n[nH]1	2247784510	WLESSKJAJSUIBM-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787495	PYLVPIUKIQLCBK-YNFQOJQRSA-N	238.096	-0.846	50	10	BBGE	
CNCCC[C@@H](C)NC(=O)C1CC(B(O)O)C1	2247799406	CTJGCEFQRCODFI-XNWIYYODSA-N	242.128	-0.256	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCOC1	2247806590	GEMIDZCWFRDWAD-IQJOONFLSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1CO	2247806867	GQYROEDDTIZUGC-PRWFHZCQSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](O)CC2(CC2)C1	2247810188	VMLLHMBETSBSJL-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ncccc1B(O)O	2247866775	RWNORYIYGVKMAZ-HQJQHLMTSA-N	234.064	-0.710	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)cn1CC	2247867749	LSUKCISQKWUXOE-UHFFFAOYSA-N	240.068	-0.789	50	10	BBGE	
O=C(N1CC[C@H](O)[C@@H]1C1CC1)C1(B(O)O)CC1	2247872266	PORXMMLERXDOHO-IUCAKERBSA-N	239.080	-0.635	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1occc1B(O)O	2247875383	XDSWCHWSAQHVFE-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
Cn1ccc(CCNC(=O)C2(B(O)O)CC2)n1	2247877638	CLYUMUDQXVYOIW-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
Cc1cc(C(=O)Nc2cn[nH]c2)oc1B(O)O	2247891258	HGTQBJHFUFDIOG-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247894425	GSMBHLSDNLNARJ-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
CN1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2247899037	JSSULXRPFFIAJU-IWSPIJDZSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)C1O	2247899764	PXRLXHHSWPEKSC-FNCVBFRFSA-N	241.096	-0.675	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1CO	2247899788	QBUCCNOHMVFMFR-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](CCC(=O)O)CNC(=O)C1(B(O)O)CC1	2248586987	KGTLCRLXXRCRQM-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@H]1CC1(C)C	2249428925	SOIMHVRZUXJHRB-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
O=C(O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2250558547	IQZWZBNCWIOUCR-SFYZADRCSA-N	241.052	-0.685	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2255443740	DCUHSTYKQWCIEG-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(B(O)O)o1	2255463689	MDRLEOAEJUSIFA-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2255481802	LWRJECNGWYGHCU-JIOCBJNQSA-N	249.075	-0.266	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@H]3C[C@@H]3C2)cc1B(O)O	2255511771	OQICMSXXPONQSQ-GHMZBOCLSA-N	245.087	-0.233	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1cc(B(O)O)n[nH]1	2255552096	GPRDGSBPPJPFEY-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2nnccc2C1	2255569254	UVWNQFULPBPUBP-IUCAKERBSA-N	247.063	-0.776	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H](C)C2CC2)c1B(O)O	2255581472	OTNUQHGYOKPOGZ-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC(n2ccnc2)C1	2255671056	MDJQHNLSAVFIBA-UHFFFAOYSA-N	247.063	-0.940	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255728479	GWUWPQNPDNIOQV-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ncncc1B(O)O	2255730814	UMKQTEWNTIIZLR-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
NC(=O)c1ccc(NC(=O)C2(B(O)O)CC2)cc1	2255746095	RISHEJIRRKQJEG-UHFFFAOYSA-N	248.047	-0.269	50	10	BBGE	
Nc1cncc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)c1	2255806447	YWHONFBBIZHZLU-DTORHVGOSA-N	249.079	-0.467	50	10	BBGE	
O=C(Nc1cn[nH]c1)Nc1cccc(B(O)O)c1	2255893015	NDIJVMJDXLLSFU-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256016062	BYJLUXLKGSPEGY-HTQZYQBOSA-N	249.075	-0.542	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC=C1B(O)O	2256601866	UXRJIAZUCKWFGY-SECBINFHSA-N	249.079	-0.143	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166048	OVMGQTYBGLVWMF-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1COCCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298166103	SPXWSIVSQZXLBQ-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298369756	DNXMYLYJRUTUDE-WYOJIJJFSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@H](O)C[C@H]2C1	2298371697	SEQOBLOWWVPDPS-SRQGCSHVSA-N	239.080	-0.921	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@@H]2[C@H]1C2(F)F	2298374603	CLRBWWRTCVEQQD-BHNWBGBOSA-N	243.018	-0.591	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCO[C@H]2C[C@H]21	2300393269	KYVWIGCBIQNLDR-ZDCRXTMVSA-N	239.319	-0.134	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H](F)C1	2307184874	QCRGSUFSLJBADU-KNVOCYPGSA-N	238.027	-0.552	50	10	BBGE	
O=C([C@@H]1O[C@H]2CC[C@H]1C2)N1CC[C@H](B(O)O)C1	2307451452	ZQODVDPVTCPEHU-AATLWQCWSA-N	239.080	-0.371	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CC=CCO1	2317899581	XLPRQAAYSHGICR-LBPRGKRZSA-N	248.091	-0.092	50	10	BBGE	
N#CC(=CNCCO)C(=O)NCCCCl	2325263730	JLCGLVBLIWZNSV-UHFFFAOYSA-N	231.683	-0.279	50	10	BBGE	
N/C(=N/NC=O)S[C@@H]1C=CS(=O)(=O)C1	5613014	IMZSMYZVYUHWAB-RXMQYKEDSA-N	235.290	-0.994	50	10	BBGE	
CCOC(=O)c1cncc(C(=O)NN)c1	75848496	PIECNWNYFXSGFC-UHFFFAOYSA-N	209.205	-0.138	50	10	BBGE	
NCc1cc(-c2ccccc2)n(CC(=O)NN)n1	76830337	QCGIVYXDSCHAGC-UHFFFAOYSA-N	245.286	-0.001	50	10	BBGE	
CN1C(=O)[C@H]2C=C(C#N)C(=O)N[C@@H]2N(C)C1=O	82300245	NTCMTPTURNFALL-NKWVEPMBSA-N	234.215	-0.968	50	10	BBGE	
CCN(CCO)[C@@H](C(=O)NN)C(C)C	82468819	KZVPRHIWSIJWDG-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
NNC(=O)CCCN1C(=O)CCCCC1=O	82471388	MAVPEUNBUOJTRH-UHFFFAOYSA-N	227.264	-0.314	50	10	BBGE	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(N)=S	83590918	GQQBOFFOHYTYNA-UHFFFAOYSA-N	243.248	-0.589	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1CCNCC1	86597986	WDQVXAGBYBEYRD-UHFFFAOYSA-N	228.340	-0.314	50	10	BBGE	
Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NN	110919463	WLYCYOSUJKFOOV-UHFFFAOYSA-N	233.227	-0.486	50	10	BBGE	
CN(CCO)Cc1ccccc1CC(=O)NN	123834722	QTOWXGIYIVXUPB-UHFFFAOYSA-N	237.303	-0.357	50	10	BBGE	
O=[N+]([O-])c1nccn1Cc1ccc(B(O)O)cc1	197268907	KCBMFWPZUXTRFV-UHFFFAOYSA-N	247.019	-0.481	50	10	BBGE	
CNC(=O)CCCCC(=O)NNC(C)=O	201637517	HZZCZFCXDABGLD-UHFFFAOYSA-N	215.253	-0.540	50	10	BBGE	
N[C@](CCCCB(O)O)(C(=O)O)[C@H]1CCNC1	203707137	VSMNBLJMRLYUTE-WPRPVWTQSA-N	244.100	-0.979	50	10	BBGE	
C[C@@H]1CN(C)CCN1Cc1ccc(B(O)O)cc1	235487179	RCLZOCLOEZAGHH-LLVKDONJSA-N	248.135	-0.498	50	10	BBGE	
CC(C)[C@@H](Cl)[C@@](O)(C(N)=O)C(=O)O	238156986	GTAWNWRQCMSVIH-CLZZGJSISA-N	209.629	-0.449	50	10	BBGE	
N#Cc1c(Br)cncc1B(O)O	238635812	PWQPXCLAFFYAQP-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
O=C(OC[C@H](O)CCl)[C@@H](O)CCl	238704790	HAWXESYYMCLVEA-UHNVWZDZSA-N	217.048	-0.271	50	10	BBGE	
C[C@@H]1O[C@H](O)[C@H](Br)[C@@H](O)[C@@H]1O	307478366	WCCJMIBXGLUWRG-BSQWINAVSA-N	227.054	-0.791	50	10	BBGE	
CC(=O)NCCN(C)C(=O)NC(=O)CCCl	308165134	YYGMBYOIICOLQZ-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CC(C)(C)OC(=O)COCC(=O)NN	308448826	BFAMOOAFNQFSTN-UHFFFAOYSA-N	204.226	-0.665	50	10	BBGE	
CCN(CCC(=O)NN)[C@H]1CCOC1	308481942	LUGDSPRHLGPKGO-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C1C=C(CCC2=CC(=O)OC2=O)C(=O)O1	309380842	JUPGSECRPJCODG-UHFFFAOYSA-N	222.152	-0.214	50	10	BBGE	in-vitro
CCOC[C@@H]1CCCCN1C(=O)C(=O)NN	313464130	QKFQLKZCXJGLRG-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cc(C#N)cn1	379944534	IOIRGWVWCHZGAH-RQJHMYQMSA-N	207.237	-0.058	50	10	BBGE	
CCCCCCC(=O)NNC(=O)[C@@H](N)CO	380998146	NGZPNBYJLHLEFI-QMMMGPOBSA-N	231.296	-0.576	50	10	BBGE	
NNC(=O)c1csc(COC2COC2)n1	393210074	HVIMVRVGENPXOA-UHFFFAOYSA-N	229.261	-0.338	50	10	BBGE	
O=Cc1c(CO)sc2ccc(B(O)O)cc12	396335258	KMDLZKCTSZTKHO-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1cc(B(O)O)c2sc(O)cc2c1	396368482	FFGHFQKIZWMXFD-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1COC(C)(C)C1	396567057	WCKARCKTQYBCDG-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
CO[C@]1(CO)CCCN(CCCC(=O)NN)C1	402825586	GBWNRYZDVDMNOJ-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](NC(N)=O)C1	690797061	VYNMXISJGHBNGA-RNFRBKRXSA-N	216.672	-0.140	50	10	BBGE	
CO[C@H](CN(C)CC(=O)NN)C1CC1	692215554	IZSXYTLIDARIOU-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@@H]1CCO	694963138	AZSVDXKUIZSVJU-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(=O)N[C@H](C)C1	695087313	MTWGLDHMCQZXOJ-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H](NC(=O)CCBr)[C@H](O)CO	698877206	YFSYDIDCAOQFRZ-PHDIDXHHSA-N	240.097	-0.371	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H]1CNC(=O)C(=O)NN	699849798	MPNDDZWLHRTKEF-RQJHMYQMSA-N	213.281	-0.225	50	10	BBGE	
NNC(=O)CCN1C[C@@H](C2CC2)CC1=O	700678134	JDHRCEQHTJFJRC-QMMMGPOBSA-N	211.265	-0.375	50	10	BBGE	
Cc1cccnc1CC(=O)NNC(N)=S	700857537	DCMHYTWPLKYHOQ-UHFFFAOYSA-N	224.289	-0.203	50	10	BBGE	
Cc1ncc(C(=O)NCB(O)O)s1	702031576	XMPFOXIQIQSOEL-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1ncnn1C	707258152	SFVOAQYJJXIHDW-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
Cl[C@@H]1CCOC[C@@H]1NCCn1cnnn1	712594637	RXMPEUKQHOXEBT-SFYZADRCSA-N	231.687	-0.341	50	10	BBGE	
CN(C)C[C@H](CCl)NCc1nnnn1C	716669821	GFNCAVZCTBIUJK-ZETCQYMHSA-N	232.719	-0.531	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C/C=C/CO	717437891	RWQSQQUHOHQBTK-XLNBVVSQSA-N	211.217	-0.549	50	10	BBGE	
CCc1sc(C(=O)OC)cc1B(O)O	717915563	NEAJAYSWIPBCQQ-UHFFFAOYSA-N	214.051	-0.223	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C=C(Cl)C(Cl)=N1	725701359	JWNIVHXQACMWLS-BYPYZUCNSA-N	236.851	-0.743	50	10	BBGE	
O=C(C[C@H]1CCCO1)NNC(=O)c1cnn[nH]1	729457748	OROYZVDPVKDCPX-ZCFIWIBFSA-N	239.235	-0.865	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cn(C)nn1)C1CC1	855188752	UKCMSZRDVDGAAP-LURJTMIESA-N	237.263	-0.378	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(C)=O	873739549	HSEVVOJOYJJCFU-NKWVEPMBSA-N	214.221	-0.647	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCN(C2CC2)C1=O	929183081	SKAONJQRXSHXAX-SECBINFHSA-N	239.275	-0.445	50	10	BBGE	
O=C(NNC(=O)c1cocn1)c1ccnnc1	1162154605	PSVJZUKYXRXSSQ-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
C=C[C@@H](C)ONC(=O)NNC(=O)c1cn[nH]c1	1230572691	XBNCUZXRULVSOR-ZCFIWIBFSA-N	239.235	-0.140	50	10	BBGE	
CCCONC(=O)NNC(=O)c1cccnn1	1252336178	XRBVLMDGLLWZOY-UHFFFAOYSA-N	239.235	-0.238	50	10	BBGE	
O=C(NC/C=C\Cl)c1cccc(B(O)O)c1	1304682488	IZNNMJSIALXFOT-DJWKRKHSSA-N	239.467	-0.151	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCOC1	1318538068	ULIVTALINAZQJN-SECBINFHSA-N	249.270	-0.192	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@@H]1CC(=O)OC1=O	1535679674	PBMJDAVGGDTNRJ-YFKPBYRVSA-N	238.199	-0.236	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(C)o1	1629217258	TWFRWEIBKHWXTC-ZETCQYMHSA-N	224.216	-0.104	50	10	BBGE	
C#CCCS(=O)(=O)NN(C)C(=O)OC	1655275410	VNNDJHBFDOJQAT-UHFFFAOYSA-N	220.250	-0.458	50	10	BBGE	
CC/C=C(/C)C(=O)NNC(=O)[C@@H]1COCCO1	1772834610	JAFCVUTYHJLUSV-OTOXVQDCSA-N	242.275	-0.095	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2[C@H](C(N)=O)[C@@H]2C1	1877848622	KGTVUHLCGHKOJF-MVIOUDGNSA-N	216.668	-0.197	50	10	BBGE	
O=S(=O)(CCCl)N1CC=C[C@@H]1CO	1881716089	MMORNTLHJNSOMA-SSDOTTSWSA-N	225.697	-0.212	50	10	BBGE	
NNC(=O)CCOC[C@H]1[C@@H]2COC[C@H]12	1890317208	RHBHHKSFOLKQIU-WHUPJOBBSA-N	200.238	-0.725	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSC1	1892080800	KVEZRLLVSISUJZ-NKWVEPMBSA-N	201.295	-0.381	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@@H]1F	1895125490	FOAZPHWRORNBLJ-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ccc(B(O)O)cn1	1896796386	DFAFTVJZSPXIOQ-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
CN(NC(=O)[C@H]1CC=C[C@H](N)C1)S(C)(=O)=O	1901376264	YEFDVNHQWZMYQV-YUMQZZPRSA-N	247.320	-0.798	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@]2(O)CCOC2)C1	1902545806	JEIXUJFDCIYCBP-NXEZZACHSA-N	229.085	-0.923	50	10	BBGE	
C=CC1CN(c2cc(B(O)O)c(F)cn2)C1	1903010231	NGTITIGUSZSUCE-UHFFFAOYSA-N	222.028	-0.477	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CC[C@@H]32)ncc1B(O)O	1907077847	ZHZNCMHBOIEITN-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@H](C)[C@H](C)C(=O)NN	1907703221	BDYFXRGNTNYBRK-QCLAVDOMSA-N	245.323	-0.654	50	10	BBGE	
C[C@H]1C(C(=O)Nc2cccc(B(O)O)n2)[C@@H]1C	1907975255	YNJQIGMATBUKJD-RNFRBKRXSA-N	234.064	-0.398	50	10	BBGE	
COC(=O)C(C#N)=C1N(C)N=C(C)N1N	1911837735	WUMAYCQHYCZJSM-UHFFFAOYSA-N	209.209	-0.651	50	10	BBGE	
C[C@H](CN1CCS[C@H](C)C1=O)C(=O)NN	1912261557	HYCQBJRWVKNIGX-RNFRBKRXSA-N	231.321	-0.424	50	10	BBGE	
NNC(=O)COCCO[C@H]1C[C@H]2C=C[C@H]1C2	1913352242	RFRPBNLWZFRSCH-GUBZILKMSA-N	226.276	-0.026	50	10	BBGE	
N#CC1=CCN(c2ncnc(NN)n2)CC1	1917102057	BPYMFGJPEAVIEK-UHFFFAOYSA-N	217.236	-0.183	50	10	BBGE	
O=C(Cn1cncn1)NCCBr	1928690270	IJYVOPZKVRFNHV-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Cl	1928697219	XBPMHRBOFACDMY-NKWVEPMBSA-N	229.671	-0.241	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1F	1932374864	ZWQKMBSOTOMGKC-XGEHTFHBSA-N	215.272	-0.098	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@@H](F)C1)C(=O)NN	1936026916	RQNKMBBQZWMYAE-YUMQZZPRSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cc(F)ccc1=O	1936086775	WPOIVFXZDMYJJZ-HTRCEHHLSA-N	225.223	-0.387	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCC[C@H]21	1937415311	LNGPIHDFTVNXKX-JGVFFNPUSA-N	227.264	-0.996	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1941071634	GIQOMCUYNBLRTE-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
CN1C[C@H]2CN(C[C@H]3C[C@H]3C(=O)NN)C[C@H]2C1	1941085422	LVIWCCWUEAUMAC-CHWFTXMASA-N	238.335	-0.894	50	10	BBGE	
CC[C@]1(C)COCCN1CCOCC(=O)NN	1941772744	NHMXJVNXTAPGSC-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](CCOC)C1	1943674284	SRRZWNGIOPLIFI-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CC1(C(=O)NN)CC1)C2	1945889957	XUDVILGAZRYQPP-UWVGGRQHSA-N	238.335	-0.465	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCl)C[C@@H]12	1954822841	VONHDLDKSJZIHH-OLQVQODUSA-N	202.641	-0.570	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)C(C)(F)F	1956883878	DEHHSSMKTCUJMQ-SCSAIBSYSA-N	209.196	-0.474	50	10	BBGE	
CCCOC1CN([C@@H](C)CC(=O)NN)C1	1958195646	OYNHSNHRZQWEHM-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)CC[C@@H]1O	1960160142	UJDSDRDKWDANFZ-ZJUUUORDSA-N	237.727	-0.083	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](F)C2)nc1	1961676747	HZSYUOLQMORVFA-QMMMGPOBSA-N	210.017	-0.690	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H]1C[C@H]1CCl	1962202709	KYGBGULXLUMWTL-BQBZGAKWSA-N	229.671	-0.336	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1C	1962492179	ALWMXUHLYBBENR-HLTSFMKQSA-N	215.297	-0.421	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCn2nccc2C1	1978922954	OEPZWZCRNMRRBB-ZCFIWIBFSA-N	239.304	-0.690	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	1980228989	OQVBQPXZVZRPIL-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
CC(C)N(C[C@@H]1CCOC1)C(=O)C(=O)NN	1980761212	GQASWVYKKXEJHN-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
COC[C@H](C)Oc1ccc(B(O)O)c(C)n1	1981424084	NVDFOPVSYOAWKF-ZETCQYMHSA-N	225.053	-0.516	50	10	BBGE	
O=C(NCB(O)O)c1ccc2nsnc2c1	1983607029	XETRIXSIFYRLAW-UHFFFAOYSA-N	237.049	-0.567	50	10	BBGE	
O=C1NC[C@@]2(CCCN(C[C@H](O)CCl)C2)N1	1983848603	VGSGTWIXDRQKTB-PSASIEDQSA-N	247.726	-0.267	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C=CCC1	1984106400	DHCWKZDQHUZUNY-VIFPVBQESA-N	219.049	-0.506	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	1986052796	DHFFMYGHFMXLCG-QEYWKRMJSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](N)CSC[C@H]1CCC[C@H](C(=O)NN)O1	1990164380	MQWHWGBMHWTAOF-DJLDLDEBSA-N	247.364	-0.006	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@H](C1)C2(C)C	1990772347	IUXPONBCKQOKNF-IUCAKERBSA-N	225.292	-0.259	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)[C@H]1C[C@@H]1Cl	1991688656	PZAJCPCOLBDBJU-WDSKDSINSA-N	244.678	-0.123	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)[C@H](CO)C1	1991706503	QFINCFKDARVGCU-HIQWKFPQSA-N	247.678	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC[C@@]2(C)C1	1995644298	CLQUZGMLHZEEGA-ONGXEEELSA-N	225.292	-0.114	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(=O)N2CCC[C@H]2C1	1996427002	LMBYSTPFTICLRL-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)[C@H]1CC[C@H](O)CC1	1997586222	OHJPKOXAOGEGMY-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(C)[C@@H]1OCCC[C@H]1NC(=O)C(=O)NN	1997658880	GJMNTOAAPCEVEH-HTQZYQBOSA-N	243.307	-0.314	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	2002478291	SMYCRWPJOVLYED-GZBOUJLJSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCCCNC1=O	2004250885	YAMGJSSYWYANIJ-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cccc(CN2CCO[C@H]3C[C@H]32)c1	2004486081	HIFDBPNPOORHCQ-NEPJUHHUSA-N	233.076	-0.661	50	10	BBGE	
OB(O)c1cccnc1-n1ccnc1C1CC1	2005008530	ZAZNABYCIHRVOH-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](C(F)F)CC1=O	2006138702	IUYARQZYLPKQGK-FSDSQADBSA-N	247.245	-0.274	50	10	BBGE	
C[C@H]1[C@H](Cn2cccc(B(O)O)c2=O)C1(F)F	2008844528	ORYMBXFEHMBVIJ-BQBZGAKWSA-N	243.018	-0.571	50	10	BBGE	
NNC(=O)C(=O)NC1CC2(C1)C(F)(F)C21CC1	2012217369	OZYITYSPHUZYAD-UHFFFAOYSA-N	245.229	-0.330	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NNC(C)=O)[C@H]1C	2019219278	LFZBGKDMWWBVCS-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
CC(C)c1ocnc1C(=O)NCC#CB(O)O	2021107179	OMXPDQAVEOJPBD-UHFFFAOYSA-N	236.036	-0.457	50	10	BBGE	
COC[C@H](C)COc1cc(C)c(B(O)O)cn1	2026074258	LEKWGACSKIRRBD-QMMMGPOBSA-N	239.080	-0.269	50	10	BBGE	
CCOC(=O)N1CCc2c(cccc2B(O)O)C1	2032578335	JZSLNCCPUZBMCD-UHFFFAOYSA-N	249.075	-0.119	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2c1ncccc1B(O)O	2058061469	XFZOAWZAZYYXFF-DVVUODLYSA-N	248.091	-0.625	50	10	BBGE	
Cc1c(C=O)cc(B(O)O)cc1[N+](=O)[O-]	2060279349	SXBSGZKFENJTRT-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccc(O)nn1	2076079500	QTMYCDNZERAIMS-SSDOTTSWSA-N	249.035	-0.987	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	2079519613	PHSOAKYPXRWGLG-UWVGGRQHSA-N	248.091	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1C[C@H]2C[C@@H]2C1	2212278204	NBSDWNMHAOENLQ-RKDXNWHRSA-N	225.292	-0.116	50	10	BBGE	
OB(O)c1cncnc1OC1C[C@H]2C[C@@H]2C1	2212295044	ZNDUWXGEWUTIPS-RNFRBKRXSA-N	220.037	-0.666	50	10	BBGE	
CNC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2212599766	NIFHZUKBAUZXQF-QMMMGPOBSA-N	224.069	-0.943	50	10	BBGE	
OB(O)c1ccc(NCc2cnco2)nc1	2212601446	OBYDCPCZCQPFQP-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
N#C[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612010	GUHNLOUBFCZTFT-QMMMGPOBSA-N	217.037	-0.889	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1cccc(B(O)O)c1	2214605226	IZZHQYBFYFHEIR-LBPRGKRZSA-N	235.092	-0.677	50	10	BBGE	
CC[C@H](Oc1cccnc1C(N)=O)C(=O)NN	2214882861	MSCRPRKVWPRUSL-LURJTMIESA-N	238.247	-0.672	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H](O)C(F)(F)C1	2215775809	JDBMCLXQUYHNJM-PRJMDXOYSA-N	249.261	-0.686	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccno1	2216243124	QMSPLTAOQPRFJC-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
OB(O)c1cnc(NC23CCC(CC2)C3)nc1	2217173431	QSQLLZARFVVQFG-UHFFFAOYSA-N	233.080	-0.099	50	10	BBGE	
OB(O)c1ccnc(NCC[C@H]2CCCO2)c1	2217175756	MZYLWKOIQNKIGJ-SNVBAGLBSA-N	236.080	-0.258	50	10	BBGE	
COC(C)(C)[C@@H](C)Nc1ncccc1B(O)O	2217178316	UKTSSUDXYAAJEZ-MRVPVSSYSA-N	238.096	-0.013	50	10	BBGE	
Cc1cnc(O[C@@H](CN)C2CC2)cc1B(O)O	2217182354	CMNCWOVBNWGRPA-JTQLQIEISA-N	236.080	-0.814	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCOC[C@H]2F)c1	2217194355	VCLZJDXZOJCHDA-BDAKNGLRSA-N	241.027	-0.733	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)Nc1cc(B(O)O)ccn1	2217197750	QJIGYFOFEYOJAR-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ccon1	2217204532	LAPCCCKLGYIIKK-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CC1(Oc2ncccc2B(O)O)CC2(CNC2)C1	2223625805	PEYDVPIIYZPKHI-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(N2CCN3CCC[C@H]3C2)c1	2223628154	PHFYGDXPXDMUEN-NSHDSACASA-N	247.107	-0.954	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223634943	QKNUKFHGTUPPCL-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)CC12CC2	2223674252	JZLIAXWSHBJFCM-SECBINFHSA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CN[C@@H]2CCC[C@H]12	2223674807	NMJPTNIJDRHGAU-JMJZKYOTSA-N	247.107	-0.686	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(c2ccc(B(O)O)cn2)C1	2223680053	YBSCVSGVJMWSNR-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
C=CCOCCNC(=O)C1(B(O)O)CCC1	2243347602	OMBDQTAZZGAGKN-UHFFFAOYSA-N	227.069	-0.298	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)s1	2243350184	WZXWBWDCFQVIMO-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
O=C(NCCC(F)F)c1ccc(B(O)O)o1	2243350246	XYSVYQLGGXPDNO-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
N#CC1CN(C(=O)c2ccsc2B(O)O)C1	2243409702	NFLIFRHANPGHHP-UHFFFAOYSA-N	236.061	-0.977	50	10	BBGE	
COCC(C)(C)N(C)C(=O)C1(B(O)O)CC1	2243410504	CJSBDEWITHCWRG-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)C(C)(C)C)B(O)O	2243412857	VDSBKVMBXBLUKI-MRVPVSSYSA-N	249.141	-0.091	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243426626	JGWHKENNVPGQFG-BZNPZCIMSA-N	227.069	-0.657	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)co1	2244206510	XNMSJBOIHMRUAH-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]1CF	2244215019	AKQRXDIALQBJHD-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
O=C(NOC1CCCC1)c1ccoc1B(O)O	2247742836	UYPKZDXCTFMIBL-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@]2(CCOC2)C1	2247743401	CWPCCQNTDVMCED-LLVKDONJSA-N	237.064	-0.969	50	10	BBGE	
O=C(N1CC[C@H]2CCO[C@H]2C1)C1(B(O)O)CC1	2247749908	BKOPWFCPPAMYTP-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1C	2247752762	VJSQYEURXWZEGG-VXNVDRBHSA-N	236.080	-0.674	50	10	BBGE	
C[C@@]1(CN)CCN(C(=O)C2(B(O)O)CCC2)C1	2247753641	IRGIXNXNSHWIKW-JTQLQIEISA-N	240.112	-0.419	50	10	BBGE	
CO[C@@]1(C)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786700	FHQQEOYERYWXOE-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCCO1	2247787911	WJGNVHAFEJHVRC-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCC1(O)CCC1)[C@H]1C[C@@H](B(O)O)C1	2247790112	FQNIXXMNGMNOLX-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
CN1CC(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247792481	SUIQMMICSQKLPV-MGCOHNPYSA-N	240.112	-0.693	50	10	BBGE	
C=C(C)COCCNC(=O)C1CC(B(O)O)C1	2247797229	HKOKLJGQTOIWQP-UHFFFAOYSA-N	241.096	-0.052	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C(=O)[C@H]1C[C@H]1B(O)O	2247807497	INZUYQCYKSJLIT-XFWSIPNHSA-N	238.096	-0.988	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CO[C@H]2C[C@@H]1C2	2247809063	NKZCQYFARPRMFD-JDDHQFAOSA-N	239.080	-0.515	50	10	BBGE	
CCCOC[C@@H]1CCCN1C(=O)C#CB(O)O	2247846521	HVURORSCBZRDPW-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCCO2)CC1	2247848792	QJPAPCRNQQACKA-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(F)ccc1B(O)O	2247868142	PWKXJCWRNIGDOJ-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)C2(B(O)O)CC2)CC1	2247870441	JUELHLVMFNLSQG-BDAKNGLRSA-N	240.112	-0.230	50	10	BBGE	
CN(C)CC(C)(C)CNC(=O)C1(B(O)O)CC1	2247878027	LEBDHSQHOKQMGG-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
CN(CCC(F)F)C(=O)c1occc1B(O)O	2247878993	QYJQKKJZQRWAFM-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
C[C@@H](CN1CCCC1)NC(=O)[C@H]1C[C@H]1B(O)O	2247888216	XCZZQDCXPZJGPS-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(CCC2)C1=O	2247899169	LAUNIHZEBTVLNG-SFYZADRCSA-N	237.064	-0.222	50	10	BBGE	
C[C@H]1[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1C	2247899353	MSMSFQFIFMDHLN-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247911348	VPIIOVLQUVSOQL-UDNWOFFPSA-N	240.112	-0.598	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248585011	FHEBVMBGILMXDP-LJGSYFOKSA-N	243.068	-0.534	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255516925	RLGHWGURDHHARS-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
CC#CCCNC(=O)c1nccc(C)c1B(O)O	2255582305	VEJHPSJRMIESJM-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)cn1CC	2255720114	PKEZDWUMQDAJRG-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
Cc1ccc(NC(=O)c2occc2B(O)O)cn1	2255738519	UPJGKFSMVMBCIQ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1C[C@@H]2C[C@H]2C1	2255742430	BQQAGUMZBZMFOH-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
C#CC1(NC(=O)c2ccc(C)cc2B(O)O)CC1	2258948015	QPYJTRPESVJONU-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164788	IOTFXLTWAFQKFE-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298369873	IBTMRZNKGHFRSW-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CCN	2298371168	BIYCHONMOBOENV-SGIHWFKDSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C12CC(CO1)C2	2298375734	XZKTUKVCXWNKSR-SIFPBSKNSA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2C[C@]1(CO)C2	2299809331	DTPXOZQHKVYTIH-KLPPZKSPSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@@H](CO)C1	2300373436	SSKGHXROECIDBR-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@@H]2COC[C@@H]21	2300400542	SYWQKNASQUXVNI-VLEAKVRGSA-N	239.319	-0.277	50	10	BBGE	
CCn1cnc(CN2CC[C@@](C)(B(O)O)C2)n1	2303156190	UQCAACLLVHJBKB-SNVBAGLBSA-N	238.100	-0.263	50	10	BBGE	
OB(O)c1cc(=NCCC2CCC2)[nH]cc1F	2303835113	QYUVPVHGGNFHFX-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
NC[C@@H](Nc1ccc(C=O)c(B(O)O)c1)C1CC1	2317309978	XMGPLODFAQRKMU-GFCCVEGCSA-N	248.091	-0.672	50	10	BBGE	
C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl	40537799	NQOGNULZRHMKEX-WDSKDSINSA-N	225.697	-0.226	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1ccc(F)cc1	49819906	FHJVCEBUTOPFKI-LURJTMIESA-N	225.223	-0.066	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](CC)C(=O)NN	82470266	QTDBZWISTIOILE-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2CC2)CC1	82470864	SOGOCPZGCZTBKT-SNVBAGLBSA-N	226.324	-0.465	50	10	BBGE	
CN1CCO[C@@H](CNS(=O)(=O)CCl)C1	85791375	RGJGFJWKHQBIRE-ZETCQYMHSA-N	242.728	-0.567	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC1CC(O)C1	86313734	WNKRHRBKEYWQHW-LGUIWLBCSA-N	229.324	-0.296	50	10	BBGE	
CNC(=O)[C@H]1CCCN1[C@H](C(=O)NN)C(C)C	110596004	AIZVFTPXUKVWJW-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	157454282	NXIWJDCZRBSBBX-YUMQZZPRSA-N	230.264	-0.262	50	10	BBGE	
O=c1ccn(Cc2cccc(B(O)O)c2)cc1	199453689	SLOLXTGPCJUCPP-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
C[C@@H](N)C(=S)N1CCC[C@@H]1B(O)O	207118658	ZEMFLZQUUHJMGT-PHDIDXHHSA-N	202.088	-0.863	50	10	BBGE	
CC[C@@H](/C=N/NC(N)=O)[C@@H](C)/C=N/NC(N)=O	207669449	DDMBJBYIAQTMGB-BUUZYCDBSA-N	242.283	-0.043	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NC(C)(C)CO	216562494	UZRFSBBQJGHMFH-CLFYSBASSA-N	241.291	-0.483	50	10	BBGE	
C[C@H]1CN2CCC[C@H]2CN1[C@H](C)CC(=O)NN	227490522	JCIBDPHAGRJVOY-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
N#C[C@H](Cl)C(=O)NCCCOC=O	238548256	SRLDEVGTMSISGV-LURJTMIESA-N	204.613	-0.203	50	10	BBGE	
NNC(=O)[C@H](C(=O)O)[C@H]1CCCC[C@@H]1O	238554593	PXQLPPSFYUQIFW-LYFYHCNISA-N	216.237	-0.772	50	10	BBGE	
CCN1CCN([C@H](C)CC(=O)NN)C[C@@H]1C	250354975	RYTCVTLGYIWFAT-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@](C)(C(N)=O)C1	300530987	MAMCKSDEJRWYKW-RNSXUZJQSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)c1nc(CSCC(N)=O)cs1	300800247	JACLMJQIRLVSSV-UHFFFAOYSA-N	246.317	-0.535	50	10	BBGE	
C[Si](C)(C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	306554301	BKVGDLRCZNMWCW-CWKFCGSDSA-N	222.313	-0.723	50	10	BBGE	
OCCO[C@@H]1CNC[C@@H]1Br	306902159	PQQWWIJYBOIJHY-NTSWFWBYSA-N	210.071	-0.269	50	10	BBGE	
CS(=O)(=O)NNC(=O)C1CCCC1	306953081	HSGPHTHWIXCCKX-UHFFFAOYSA-N	206.267	-0.243	50	10	BBGE	
CSSCCN[C@H](C)C(=O)NN	308047866	QINWELBFYALSHQ-RXMQYKEDSA-N	209.340	-0.034	50	10	BBGE	
CC(=O)NN=CNCCCC[C@H](N)C(=O)O	309193016	PZQSSHXUKWJLDZ-QMMMGPOBSA-N	230.268	-0.762	50	10	BBGE	
C[C@H](Cl)c1nc(N)nc(N(C)CC(N)=O)n1	309269348	CTSFUBBEMYNTEU-BYPYZUCNSA-N	244.686	-0.325	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H](C)O1	310397039	HYHXXMKOQLTSJX-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
CO[C@@H](CN1CC(=O)OC(=O)C1)C1CC1	378748224	JEKZWJNSDJAPCG-QMMMGPOBSA-N	213.233	-0.203	50	10	BBGE	
NC[C@H]1CCN(Cc2nc(C(=O)NN)co2)C1	387010647	QVGLGAHLCZCKCY-SSDOTTSWSA-N	239.279	-0.941	50	10	BBGE	
Cc1csc(CC(=O)NNC(=O)CN)n1	389713245	MZJBQMLMBKWNKP-UHFFFAOYSA-N	228.277	-0.900	50	10	BBGE	
CN1C[C@H](N=c2[nH]nc(CCCl)o2)C(=O)N1	393921554	UMCWFLOFMVWJNX-YFKPBYRVSA-N	245.670	-0.970	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H](F)CN1C(=O)C1CC1	394905835	GIPKBDIAEMKVKX-BQBZGAKWSA-N	215.228	-0.675	50	10	BBGE	
O=C(CCCl)c1ccc(O)cc1B(O)O	396023251	ONBHHZRIXPBDAZ-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
CN(CCC(=O)NN)Cc1cncs1	400035353	IJUPWRMUFJJNPG-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
COC(=O)[C@H](Cl)CNCC[S@@](C)=O	400643157	QECXWWSEFLJTCG-CAAJLBCPSA-N	227.713	-0.265	50	10	BBGE	
CC(C)[S@@](=O)NCc1ccc(B(O)O)s1	404856513	RWAZVSHUHQWFGT-OAHLLOKOSA-N	247.150	-0.410	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H](O)C1CCOCC1	495692097	GAQFLJBIOCVMSE-MRVPVSSYSA-N	246.263	-0.497	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1	584943609	JVKHNOVCHQYRST-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
O=C1COC(=O)N1C[C@H](O)CBr	642835378	MMXYPGPXXBOICX-SCSAIBSYSA-N	238.037	-0.279	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CO)C1	694664334	ZVMPIVJMCNBQEO-UMNHJUIQSA-N	243.351	-0.049	50	10	BBGE	
CC(=O)NNC(=O)CSCC(C)(C)C(=O)O	700364035	AYADVYIRLSXYFV-UHFFFAOYSA-N	248.304	-0.002	50	10	BBGE	
Cn1ncc(C(=O)N[C@@H]2COCC[C@H]2Cl)n1	710869948	KDYOQCJDKWSXDQ-HTRCEHHLSA-N	244.682	-0.059	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](C)[C@H]1CO)C(=O)NN	711580963	OIGFUUGQIMKUOQ-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
C#CC[C@@H](COC)N1CC(=O)OC(=O)C1	716348129	HHRQCCUTBHJVNM-QMMMGPOBSA-N	211.217	-0.590	50	10	BBGE	
CN(C)C[C@H](CCl)NS(C)(=O)=O	716779002	OJFHZICGVWBQLG-LURJTMIESA-N	214.718	-0.295	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(CO)(CO)C1	721401058	YSPDSHHHKVXZME-SSDOTTSWSA-N	221.684	-0.326	50	10	BBGE	
O=S(=O)(CCCl)NC1=N[N]CS1	725580125	KIUJYOKIWVARNM-UHFFFAOYSA-N	228.706	-0.276	50	10	BBGE	
COC1=C([C@H](O)C#N)[C@H](OC)[N]S1	725611632	VMGAZTGVUKNLFR-XINAWCOVSA-N	201.227	-0.032	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)[C@H]1CCCO1	817213870	JOVOSZTUFFSEDC-MRVPVSSYSA-N	238.247	-0.791	50	10	BBGE	
C[C@H](CC(=O)NN(C)C1CC1)NC(N)=O	848228892	DGBWOJUFLKOYGO-ZCFIWIBFSA-N	214.269	-0.441	50	10	BBGE	
C[C@@H](NC(=S)NNC(=O)CC(N)=O)C1CC1	855101566	XBNYMRXKUKNEJK-RXMQYKEDSA-N	244.320	-0.844	50	10	BBGE	
Cn1cc(C(=O)C(=O)NNC(=O)C2CC2)cn1	1135490891	MBLDJBQPBHGOFV-UHFFFAOYSA-N	236.231	-0.840	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)NN)CS1(=O)=O	1327500703	NRACFFJKNSZDRV-RITPCOANSA-N	221.282	-0.875	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1455575140	LDJKEINXGQPQDF-IHWYPQMZSA-N	246.230	-0.358	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2ncon2)nn1	1536937760	OHLQZURYBJTIDG-UHFFFAOYSA-N	248.202	-0.757	50	10	BBGE	
CCCONC(=O)NNC(=O)c1cn[nH]c1	1564981806	AMFPDXBTDLJWJX-UHFFFAOYSA-N	227.224	-0.305	50	10	BBGE	
CO[C@H](C)CC(=O)NNC(=O)c1ncccn1	1584132794	LQWHETOYXOAWIE-SSDOTTSWSA-N	238.247	-0.337	50	10	BBGE	
Cc1cn(C)nc1C(=O)NNc1nnc(C)n1C	1646189590	FBWJTXZOLDLTNE-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
NS(=O)(=O)N[C@H]1C[C@@H](Br)C1	1880046154	UAWMWZVHLAUJKC-ZXZARUISSA-N	229.099	-0.295	50	10	BBGE	
N=c1[nH]nc([C@H]2C[C@@H]2Br)n1N	1880435825	GXCQLNMBBKZLTA-HRFVKAFMSA-N	218.058	-0.345	50	10	BBGE	
C[C@H]1[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1883647985	TXYOBTWEKHYDHN-KFBNRENSSA-N	203.625	-0.100	50	10	BBGE	
NCCS(=O)(=O)NCC1CC(Cl)C1	1883649188	MRWHCOXLAHTCQS-UHFFFAOYSA-N	226.729	-0.118	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCOC[C@@H]1CO	1890043767	DGWWKFTYZNLAET-NKWVEPMBSA-N	243.712	-0.501	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CNC(=O)C1	1893410006	DNFDILPOAHANTK-YFKPBYRVSA-N	216.624	-0.687	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@@H]21	1894803275	CHDIDZLKJPLLBE-DKXJUACHSA-N	227.264	-0.129	50	10	BBGE	
O=Cc1ccc(N2CCCO2)cc1B(O)O	1901238037	RWUOHLWNLVUPSB-UHFFFAOYSA-N	221.021	-0.679	50	10	BBGE	
C[C@H]1NCC[C@H]1CC(=O)NN(C)S(C)(=O)=O	1901341783	ZTYBMZDWDBHIAA-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(N)CC(C)C1	1901374270	CPFGPOAIHVJUDE-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1C[C@H](F)C1	1905100343	NFJCOHJWCBHIIB-URHBZAFASA-N	244.056	-0.491	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)[C@H]2COC[C@@H]12	1905707777	SBPXUGPHZQNRSX-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
CCCN1CCN([C@@H](C)CC(=O)NN)C(=O)C1	1906994369	WMSXHGOYMCSSKN-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1907268558	KAMLONGPYSEUNZ-LADJIXMOSA-N	241.335	-0.439	50	10	BBGE	
CCC1(O)CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908363765	FXAQMXMLLMXIOU-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1cc(C)n(C[C@@H](C)C(=O)NN)c(=O)c1C#N	1912244846	ODKLAQXVIMKBCS-MRVPVSSYSA-N	248.286	-0.037	50	10	BBGE	
C[C@@H](CCO)N(C)[C@@H](C)CC(=O)NN	1917043992	ZICJYSYJWFGFBC-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(F)C2)O1	1917252121	SATAGCXQMPLGLF-JGVFFNPUSA-N	217.244	-0.822	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NS(=O)(=O)N(C)C)C1	1928752014	YLDUYURELSZSGG-BQBZGAKWSA-N	241.744	-0.696	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CN(C)C[C@H]1O	1928757086	AAXMKQLGPBKORR-DSYKOEDSSA-N	206.673	-0.595	50	10	BBGE	
N#CC1(O)CCN(CCOCCN)CC1	1928976163	IDXNGORXMQCCHH-UHFFFAOYSA-N	213.281	-0.688	50	10	BBGE	
O=C(Cn1ccnn1)NC[C@@H](Cl)CF	1930556472	USRVSOOMSRJEFO-LURJTMIESA-N	220.635	-0.029	50	10	BBGE	
CO[C@H]1CN(C)C[C@@H]1NC(=O)CCl	1931647110	JJXQVWWYHZOFQN-BQBZGAKWSA-N	206.673	-0.330	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936089168	APGKXBZMJODNGG-JLIMGVALSA-N	227.308	-0.278	50	10	BBGE	
Cc1nccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936089821	FHWIUYJUEBAVSI-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1936764904	AEGSRHYVXVKAGN-QXEWZRGKSA-N	227.308	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2CC1(CF)C2	1937475560	IPTAEFVTWWFFGM-ZCUBBSJVSA-N	231.271	-0.575	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NC[C@H](O)CF)[nH]1	1937669053	MJYAHDPKYQPNQT-CRCLSJGQSA-N	249.677	-0.252	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2OCC[C@@H]2C1	1941771898	AWXOXFYJIDYIJU-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@H]2CCOC[C@H]21	1945076302	XYHBSYODMXQHAG-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
COCCOCCCOCC1(C(=O)NN)CC1	1945915103	MOBNDZOUTBKIAP-UHFFFAOYSA-N	246.307	-0.174	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CC2(CCC2)C1)C(=O)NN	1946084367	SENWBCIYLAVHBJ-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)N[C@H](C=CC=O)CS(C)(=O)=O	1951356398	QGEBWMHOAHVHSV-MRVPVSSYSA-N	219.262	-0.709	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC2(CC2)C1	1960945234	SXBLUFKZOLQZSD-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
N#C[C@@H]1CCN(S(=O)(=O)N2CC(Cl)C2)C1	1961548047	TZDUYURDLKPBPO-ZETCQYMHSA-N	249.723	0.000	50	10	BBGE	
OB(O)c1csc(OC[C@H]2CCCCO2)n1	1981422761	SXLJNIZVXGFMON-SSDOTTSWSA-N	243.093	-0.229	50	10	BBGE	
O=C(CCn1cnnn1)N1CC(F)(CCl)C1	1981520965	SDSYHBFJXJABJS-UHFFFAOYSA-N	247.661	-0.148	50	10	BBGE	
NNC(=O)N1C[C@H]2C[C@H]1CN2CC(F)(F)F	1987845383	JBOLGGDZUHUIHI-RITPCOANSA-N	238.213	-0.110	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccnc1O	1991327210	OGHLBPISPUOFMM-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1(Cl)CC1	1991679528	LCJMDWGNGYIMTQ-UHFFFAOYSA-N	240.455	-0.529	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)[C@H](CO)C1	1991706896	VJRDIPIXPPWELJ-SGJFDWMWSA-N	246.694	-0.557	50	10	BBGE	
CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)/C=C/C(=O)Cl	1991713020	NTCNJQMNWLQZPK-AHMPJQSMSA-N	246.694	-0.071	50	10	BBGE	
C=C(CN1CCS[C@@H]2COCC[C@@H]21)B(O)O	1992145789	OHLDSURJCGLRHQ-VHSXEESVSA-N	243.137	-0.239	50	10	BBGE	
C=C(CN1CC(N(C)CC(C)C)C1)B(O)O	1992146842	LERNHDRQFFDERD-UHFFFAOYSA-N	226.129	-0.173	50	10	BBGE	
C=C(CN1C[C@H]2CCN(C)C[C@@H]2C1)B(O)O	1992152327	CWWUNJHZJZSGIZ-GHMZBOCLSA-N	224.113	-0.562	50	10	BBGE	
C=C(CN1CCO[C@H]2COCC[C@H]21)B(O)O	1992160532	XSFZSQKZRBHARU-ZJUUUORDSA-N	227.069	-0.956	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]1C1CCC1	1992920033	SCGFLCIUNWDEMS-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H]1CN[C@H](C(=O)N2CCC(O)(C#N)CC2)C1	1997068147	IRIVUBIRMWJHPF-UWVGGRQHSA-N	237.303	-0.139	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C[C@H](C)O)C[C@H](C)O	1997349113	AQDNYIAAXCOWTR-LPEHRKFASA-N	247.339	-0.936	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12COC[C@@H]1C2(F)F	1998717065	ZZZGBEDHZFOICN-CBAPKCEASA-N	249.261	-0.420	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]1C(F)F	2005015169	WZACLPFMAVIYBM-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
CCC1CN(c2ncc(B(O)O)c(OC)n2)C1	2005018577	VSPVTMVZMVQVGM-UHFFFAOYSA-N	237.068	-0.989	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	2017827498	WOVWUYKUAHFMHA-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)OC[C@@H](N2CCC(O)(C#N)CC2)[C@@H]1O	2020353875	BSJWTMIHOTVLNG-ZJUUUORDSA-N	240.303	-0.125	50	10	BBGE	
C=C(CN1C[C@@H](OC)C[C@@H](OCC)C1)B(O)O	2021164584	JJMRZCNWSYWISS-WDEREUQCSA-N	243.112	-0.320	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@]23CCCOC3)c1	2021312661	QIQFRPJNNWBYKQ-ONGXEEELSA-N	236.080	-0.620	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccccc1B(O)O	2022196191	IQIQODICMLXGLJ-HTQZYQBOSA-N	231.060	-0.495	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](OC)C1	2025520424	FTNRLNUSTRRXLM-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1c2c(ccc1=O)CCC2	2028052237	OXTZHCVIFIFNEF-ZJUUUORDSA-N	247.298	-0.037	50	10	BBGE	
O=C1CN(Cc2ccc3nncn3c2)CC(=O)O1	2041811226	FMHNKWIYZVKYPI-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C[C@@H]1C[C@@H]1C(=O)NN	2049571672	UWTGJZLEKLTAEE-WEDXCCLWSA-N	249.318	-0.077	50	10	BBGE	
CCc1ccnn1Cc1c(C(=O)NN)cnn1C	2063887319	BTIUFHKCJNDIQL-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
O=Cc1c(F)cc(F)c(B(O)O)c1F	2069462800	BHIXMDPTFYJVMQ-UHFFFAOYSA-N	203.912	-0.404	50	10	BBGE	
ONc1ncc(Br)cc1B(O)O	2209094558	USTZOWSTWPMFDY-UHFFFAOYSA-N	232.830	-0.675	50	10	BBGE	
CO[C@H]1CCN(Cc2nscc2B(O)O)C1	2211137955	NHGLJZNFRPSDLQ-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12COCC(C1)C2	2211563797	NJPMJHROMPVUQV-FKTRJACZSA-N	227.308	-0.277	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@H](C)N)cc1B(O)O	2212605503	FZJIHVURWRMJQM-YUMQZZPRSA-N	223.085	-0.783	50	10	BBGE	
OCCN(Cc1cccc(B(O)O)c1)C1CC1	2214593534	UULQVZKAAZJFOB-UHFFFAOYSA-N	235.092	-0.677	50	10	BBGE	
CON(C[C@@H]1CC[C@@H]1C(=O)NN)[C@H]1CCOC1	2215778329	YOBREYBAICWCIE-GUBZILKMSA-N	243.307	-0.345	50	10	BBGE	
CC(C)C1(O)CN(CC2(C(=O)NN)CCC2)C1	2216490829	JYXGMQUEODILMA-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2216636977	HMPMBJMZFNMZPT-MYJAWHEDSA-N	232.092	-0.004	50	10	BBGE	
C[C@@H]1C[C@@H]1NCCOc1ncccc1B(O)O	2217172419	KFLVJNZZSZRXAP-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CC1([C@@H](N)COc2ccc(B(O)O)cn2)CC1	2217172631	LEIHFQFAPIEVNZ-VIFPVBQESA-N	236.080	-0.732	50	10	BBGE	
CC1(C)C[C@@H](N)CN1c1ncccc1B(O)O	2217179597	NCMNGSFEEXSHGE-MRVPVSSYSA-N	235.096	-0.923	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)CCCNC1	2217179820	BQPQBVPDQRFPRV-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
C=C[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2217180726	KKWCTAAIUOCVFH-MRVPVSSYSA-N	236.055	-0.087	50	10	BBGE	
N[C@H](CNc1nccc(B(O)O)c1F)C1CC1	2217182090	YXZPNUUFIXPVEB-MRVPVSSYSA-N	239.059	-0.950	50	10	BBGE	
CCC[C@@](C)(N)COc1ncccc1B(O)O	2217186647	MWRMACFTMGRMQM-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
C[C@@H]1C[C@H](Oc2cc(B(O)O)ccn2)CCN1	2217189238	ABHFGEOAENSJCT-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1cnc(NCC(F)(F)C2CC2)nc1	2217199813	FZQIPTTZIVFPEJ-UHFFFAOYSA-N	243.022	-0.386	50	10	BBGE	
C[C@H]1CNC[C@@H](Nc2ncccc2B(O)O)C1	2217199960	HDGSREPAGGEZSV-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2C[C@H]3C[C@@H]2C3)n1	2222319031	ZUJWJDXINCKNMB-AEJSXWLSSA-N	248.091	-0.110	50	10	BBGE	
CN(CC1CCNCC1)c1ccc(B(O)O)cn1	2223631766	AODYBJXTQLWKQE-UHFFFAOYSA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3CNC[C@@H]32)c1	2223637121	OFTAOAXWBGQWSF-INTQDDNPSA-N	247.107	-0.829	50	10	BBGE	
Cc1cnc(N2CC[C@H](C)[C@H](N)C2)cc1B(O)O	2223651245	BGLKBTGMXPMGNX-GZMMTYOYSA-N	249.123	-0.757	50	10	BBGE	
NCC1(CNc2cc(B(O)O)ccn2)CCCC1	2223669394	JFFWLEBBQHJINW-UHFFFAOYSA-N	249.123	-0.308	50	10	BBGE	
OB(O)c1ccc(N2CCNCC23CCC3)nc1	2223678814	IFPSDSRCUWPTOW-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1F)C1(B(O)O)CCC1	2243358077	BPEWXWLZDKGGMV-RQJHMYQMSA-N	231.032	-0.763	50	10	BBGE	
COCCC(C)(C)CNC(=O)C#CB(O)O	2243362005	KPDOWHGMKUPRAP-UHFFFAOYSA-N	227.069	-0.819	50	10	BBGE	
O=C(C#CB(O)O)Nc1nc2c(s1)CCC2	2243362717	VNHBOCSUKRIYSF-UHFFFAOYSA-N	236.061	-0.414	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)cn1C1CC1	2243366729	IAOIBSADSRVBSN-UHFFFAOYSA-N	222.053	-0.748	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N1CC(C)C1	2243385032	BHDIZYDHLUNAMT-UHFFFAOYSA-N	240.093	-0.777	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CCOC2)C1	2243390880	CKWHHNBODBHLGV-YUMQZZPRSA-N	225.053	-0.902	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)cc[nH]1	2243391284	ISXPRGOOWYEIAY-DTWKUNHWSA-N	220.037	-0.387	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1C(=O)C1CC(B(O)O)C1	2243396433	MBEZODUWMOHUFK-MDVIFZSFSA-N	227.069	-0.779	50	10	BBGE	
N#Cc1cccc(NC(=O)C#CB(O)O)c1	2243399992	UHFQOGYBPUHNSN-UHFFFAOYSA-N	213.989	-0.488	50	10	BBGE	
CN(C)C(=O)c1cc(F)c(B(O)O)cc1Cl	2243477815	OOWFVGPTVYQVLL-UHFFFAOYSA-N	245.446	-0.139	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1CCOCC(=O)NN	2243805102	NWMZFXVLMKVOIQ-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1CC(N)=O	2244147700	AEELCORAJAXUOM-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
OB(O)C1CCN(CCn2cncn2)CC1	2244179684	DTSSNJXLAMFAPI-UHFFFAOYSA-N	224.073	-0.783	50	10	BBGE	
CCCN(C[C@@H](C)O)[C@@H](COC)C(=O)NN	2244881380	GJXPFCLSHSGMFN-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
CN(CC(=O)NN)[C@H](CO)c1ccccc1	2246301750	IWXVQHFJVQJIRF-SNVBAGLBSA-N	223.276	-0.358	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@@H]2C[C@@H]12)C1(B(O)O)CC1	2247750266	GVYJEOPKZQEOTD-BZNPZCIMSA-N	239.080	-0.874	50	10	BBGE	
O=C(N1CCc2n[nH]cc2C1)C1(B(O)O)CC1	2247751306	WAXZDQJKOYOEPZ-UHFFFAOYSA-N	235.052	-0.699	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)OC1	2247751524	YQDXAUTUVRGTSO-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
COC1(OC)CN(C(=O)C2(B(O)O)CCC2)C1	2247754446	DFFKCVFDEZDFLN-UHFFFAOYSA-N	243.068	-0.785	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247798872	XWQQCPZZIUJVGG-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@H]1B(O)O	2247805719	KSUYDBZOVPICQJ-UAAUVISNSA-N	238.096	-0.752	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC12CCC2	2247808790	WFJVBCCXOVNEQZ-DJLDLDEBSA-N	238.096	-0.811	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]1(C2CC2)CCCO1	2247842238	RBPCJXUGGVMXKQ-LLVKDONJSA-N	237.064	-0.923	50	10	BBGE	
CCc1nn(C)cc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247860248	UHOPCTOZFVPVLX-BQBZGAKWSA-N	237.068	-0.216	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1B(O)O	2247886485	BYYUEDISVXQRSU-HQCZOREISA-N	239.080	-0.779	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1(C)C	2247896939	MCCLQECUSXOKAS-UYXSQOIJSA-N	241.096	-0.221	50	10	BBGE	
O=C(N[C@@H]1CCNC12CCC2)[C@@H]1C[C@H]1B(O)O	2247899398	NCFPHBVWTHGHSI-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
C[C@H](CF)NC(=O)Nc1ccccc1B(O)O	2247972154	PXVOCHDFAHPTJQ-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248587237	NKWDCBYQYHMVJD-VQVTYTSYSA-N	243.068	-0.535	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]2C[C@H]21	2249426887	AZJGBJGPQXDXII-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
CCc1cnn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1	2250943905	WACLNHCPYSQQGW-RKDXNWHRSA-N	236.275	-0.568	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1CC12CC2	2255445336	ULUXPHKFUPFYGR-MRVPVSSYSA-N	249.075	-0.202	50	10	BBGE	
CC#CCCCNC(=O)c1cc(B(O)O)cn1C	2255493025	SZCJIQNYSIXDSJ-UHFFFAOYSA-N	248.091	-0.762	50	10	BBGE	
Cc1cnc(C(=O)Nc2ncc[nH]2)c(B(O)O)c1	2255556505	QIUGKPWQPHMWGS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(CCc1ncccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2255570782	JCOIINWYJOMVHA-RKDXNWHRSA-N	249.079	-0.660	50	10	BBGE	
Cc1cc(C(=O)Nc2c[nH]nc2C)oc1B(O)O	2255579831	VTACKUSMGWNHAD-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C#C[C@@H](NC(=O)c1coc(B(O)O)c1)C1CCC1	2255686319	PPRHOHZQAJOAHV-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
Cc1ccn(NC(=O)c2cccc(B(O)O)c2)c1	2255717336	YMKAUZSYBHISBP-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ncccc1B(O)O	2255721783	FNVRPLSFBASMES-HTQZYQBOSA-N	246.075	-0.853	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1n[nH]cc1B(O)O	2255762828	BDHKAVYCBFSRJE-IONNQARKSA-N	249.079	-0.992	50	10	BBGE	
C=CC=CCCNC(=O)c1nccnc1B(O)O	2256047781	VBRTUWLRDFXQEU-UHFFFAOYSA-N	247.063	-0.982	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1nccnc1B(O)O	2256055044	RVDZRXRRRYQRQE-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
C#CC1(NC(=O)c2cc(F)ccc2B(O)O)CC1	2258948137	SCVNMMJBTLGOAX-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H]2CCC[C@@H]2C1=O	2298375507	MRKALPWWGDESSX-JBDRJPRFSA-N	237.064	-0.366	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2298375631	TUFHMBSYVILKPT-DKIAZLNASA-N	239.080	-0.608	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCCCN1	2301346225	OKZXYUITORIBQR-UHFFFAOYSA-N	231.064	-0.657	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	2302403840	QFIAKUJROLPHPH-CHWFTXMASA-N	240.351	-0.221	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2cc(CO)on2)C1	2303123906	NEWIZGIQEDHKCP-JTQLQIEISA-N	240.068	-0.394	50	10	BBGE	
Cc1cc(C)n(-c2cc(B(O)O)c(F)cn2)n1	2303835289	UQTGZPLWCCYHPQ-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CNCC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303855459	MMEIADGWMIBBRY-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2CC[C@@H]3C[C@H]23)n1	2312093666	XVYIADAWLNUUNT-UTLUCORTSA-N	248.091	-0.049	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)co1	2313083234	IGOHXEHYSIPKHK-WEDXCCLWSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ncco1	2317161332	CFSMUPVUAUXXKS-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
CCN(c1ccc(C=O)c(B(O)O)c1)C1COC1	2317349712	HVHDQEUILSRBNX-UHFFFAOYSA-N	249.075	-0.596	50	10	BBGE	
O=C1N[C@@H]2[C@@H](Br)C[C@H]1[C@H]2O	38996993	ZBBRHTADBLAAFF-QMKXCQHVSA-N	206.039	-0.371	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1cnc(C#N)n1	82471711	UBVVLAVQBZDQAI-LURJTMIESA-N	208.225	-0.519	50	10	BBGE	
CC(C)[C@@H](Sc1nnnn1C)C(=O)NN	82471825	VAXXDUGPZJBPMR-RXMQYKEDSA-N	230.297	-0.683	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCO[C@H](CO)C1	88091691	TXWYNWZUMPLAIE-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
O=C1C[C@]2(CCN(C(=O)CCl)C2)N1	95073949	NVHGBFLTBSBNNI-QMMMGPOBSA-N	202.641	-0.284	50	10	BBGE	
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O	169987558	YZYFOKXDBHHJLB-IUCAKERBSA-N	228.101	-0.637	50	10	BBGE	
COC[C@H](Oc1cccc(C=O)c1)C(=O)NN	232418115	JQUOBXWYINHFNG-JTQLQIEISA-N	238.243	-0.117	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)OC(C)(C)C1	232419806	OKBFJESDVCESRM-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
CCO[C@H]1CCCN([C@@H](COC)C(=O)NN)C1	232420149	ISYJEWDQUTXBIY-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NCSC[C@@H]1NC(=O)OC1=O	238093312	LDJMEOCZBLAFOU-YFKPBYRVSA-N	218.234	-0.552	50	10	BBGE	
C[C@@H]1CN2CCC[C@H]2CN1CCCC(=O)NN	251870877	TZTZYBHDNFRSHD-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@H]1C[C@@H]2C(=O)N([C@H](C)C(=O)NN)C(=O)[C@@H]2C1	253626589	GURDHQSCDIBYLF-XUTVFYLZSA-N	239.275	-0.604	50	10	BBGE	
COC(=O)C1(C(=O)NNC(=O)NC(C)C)CC1	274430604	HVFCDULVHCRWOZ-UHFFFAOYSA-N	243.263	-0.322	50	10	BBGE	
Cc1ccc(Cn2cncn2)cc1B(O)O	306311312	CFRYVMOVYMGGRC-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@@H](C)[C@H](C)C(=O)NN)C1	310191109	YVWQBOYOSYHNJO-AXTSPUMRSA-N	245.323	-0.918	50	10	BBGE	
CCSCCNNC(=O)[C@H]1COCCN1	381487769	KFRLSCCHKHPKRJ-MRVPVSSYSA-N	233.337	-0.651	50	10	BBGE	
CCOC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	383035955	GLUNLXGZBZTLGN-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
COC(=O)/C(C#N)=C1\NC(=O)CC[C@@H]1C#N	383931866	ZHXJBCQKSWJZKB-JKUJOVPDSA-N	219.200	-0.013	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC[S@](C)=O	399942732	VYKHRWKFBLARHN-GLEZIHRCSA-N	235.353	-0.545	50	10	BBGE	
CCCOC(=O)[C@@H](C)[S@@](=O)CC(=O)NN	586371220	REFWKGWOWMFYCA-BAHMLBHCSA-N	236.293	-0.933	50	10	BBGE	
CCC[C@H]1COC[C@H]1N(C)C(=O)C(=O)NN	688150137	YQLINXIMFCKRPC-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
COC[C@H](CN(C)C[C@@H](C)C(=O)NN)OC	691284635	DUATXHRERCSZKA-BDAKNGLRSA-N	233.312	-0.794	50	10	BBGE	
CCN(C[C@H](C)O)[C@H](C)[C@H](C)C(=O)NN	692168630	ICQLQVZAJFNVTO-XHNCKOQMSA-N	217.313	-0.296	50	10	BBGE	
CN(CCNC(=O)CCl)S(C)(=O)=O	692464360	HKKMPMLVVGNVAE-UHFFFAOYSA-N	228.701	-0.767	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)OCCl)C1=O	692833942	ROIVSEMRKJCSGC-BYPYZUCNSA-N	220.612	-0.334	50	10	BBGE	
CC(C)CCOCCn1cc(B(O)O)cn1	694507949	HQKKJUPDPJGQQM-UHFFFAOYSA-N	226.085	-0.374	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H](CCF)C1	700560021	PPETXXLQTQAAGY-RKDXNWHRSA-N	249.286	-0.948	50	10	BBGE	
Cn1cncc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703452516	QZVYCENBNVTOFU-IUCAKERBSA-N	235.243	-0.164	50	10	BBGE	
CN(Cc1ncnn1C)C[C@@H](O)CCl	707671844	OVAVAHMZMZFVHO-ZETCQYMHSA-N	218.688	-0.153	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](CF)C2)O1	711448314	RLSVFQZHOAQMNG-AEJSXWLSSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnsn1	730592483	QYJZTSLWVSHCGE-UHNVWZDZSA-N	226.261	-0.045	50	10	BBGE	
Cc1c(C(=O)NNC(=O)c2ccco2)nnn1C	741660738	NPZFTONBTJAYTP-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CO[C@@H](C)C(C)=NNC(=O)[C@@H]1COCCO1	763179114	MKLPCYXKWMGBBW-IUCAKERBSA-N	230.264	-0.071	50	10	BBGE	
CC[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CO1	853282633	LOXWQKGZZMSVLE-VIFPVBQESA-N	239.275	-0.064	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(C#N)CCCOC1	868241612	MXLMCYYOOMDPQN-LLVKDONJSA-N	241.291	-0.084	50	10	BBGE	
CCc1cnc(CC(=O)NN(C)C[C@@H](C)O)[nH]1	910139834	DLQGHKNSKGMUID-MRVPVSSYSA-N	240.307	-0.142	50	10	BBGE	
O=C(C[C@@H]1CCCC(=O)N1)NNc1ccncn1	1141131443	YDBSDRMBHYZSNN-QMMMGPOBSA-N	249.274	-0.022	50	10	BBGE	
Cc1cocc1C(=O)NNC(=O)c1cn(C)nn1	1279018222	MBOSPZYJIZPZNI-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CC(C)C(=O)NNC(=O)NCc1cnn(C)n1	1324875469	UFXZBQMMTFHWAC-UHFFFAOYSA-N	240.267	-0.699	50	10	BBGE	
CN(CC(=O)NNc1ccncn1)C(=O)C1CC1	1624513360	IUGGWUQIKSEVRX-UHFFFAOYSA-N	249.274	-0.212	50	10	BBGE	
CCN(CCO)NC(=O)c1ccc(C(N)=O)[nH]1	1640010516	FLMQRWNYMCJONQ-UHFFFAOYSA-N	240.263	-0.927	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cn2cccnc2n1	1641620346	UHTKANGGYHIADD-UHFFFAOYSA-N	244.218	-0.396	50	10	BBGE	
CC#CCCNC(=O)NNC(=O)c1ncon1	1686161328	GXQLMODLXBUIMV-UHFFFAOYSA-N	237.219	-0.573	50	10	BBGE	
N[C@@H](C[S@](=O)C[C@H]1C[C@H]1Cl)C(=O)O	1883567778	RCKJMPMWJXIFTD-WHADRSBBSA-N	225.697	-0.226	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1C[C@H](O)CCl	1886265972	SDPQWDVTPMSXCA-BWZBUEFSSA-N	209.673	-0.986	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2	1888323696	FKPRSSMHZXVWCN-LKHWLPBLSA-N	219.668	-0.290	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H](C)O	1888561518	DXWGJBWZVKTHHG-ZCFIWIBFSA-N	224.282	-0.930	50	10	BBGE	
OB(O)c1csc(COCC2CC2)n1	1891823803	OUSWDGYUSXEIJA-UHFFFAOYSA-N	213.067	-0.251	50	10	BBGE	
O=C1CNCC(=O)N1CC1CC(Cl)C1	1893520875	NAXKJYMGOLUWNZ-UHFFFAOYSA-N	216.668	-0.038	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C(=O)N1C	1893851532	MYPIFRXETOFTHQ-RNFRBKRXSA-N	214.269	-0.489	50	10	BBGE	
CN(Cc1ncno1)C[C@@H]1C[C@H]1C(=O)NN	1894351369	LEPRLQYZQXNNCA-NKWVEPMBSA-N	225.252	-0.873	50	10	BBGE	
CCN(C[C@@H]1CCC[C@@H](C(=O)NN)O1)OC	1896928467	JESNDZJYQAFJRI-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1COC1	1901209493	SCPBGSZHDBMRKD-UHFFFAOYSA-N	219.005	-0.984	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	1901323797	NRMIQUOLBRJWLD-DKIAZLNASA-N	227.308	-0.400	50	10	BBGE	
NC(=O)CC[C@@H](N)C(=O)NCC(Cl)Cl	1905564870	ZQKKGBDBTYCRHG-SCSAIBSYSA-N	242.106	-0.501	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)[C@@H]2C[C@@H]21	1906866942	MFZQVEXJRXSMRA-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2OCC[C@@H]2C1	1909988556	UXBSQFKYHDCILK-ZJUUUORDSA-N	241.291	-0.736	50	10	BBGE	
CN(C)CC1CC(N2CC(=O)OC(=O)C2)C1	1913648107	UAXAVFIDDCNYSP-UHFFFAOYSA-N	226.276	-0.288	50	10	BBGE	
CCCN(C[C@H]1C[C@H]1C(=O)NN)S(C)(=O)=O	1913828431	JCQCUXGTZOQAAP-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1(CO)CCC1	1915004834	NRVASDRAGVTIDH-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
O=C(c1cnn[nH]1)N(CCCl)C1COC1	1915637238	VOXRNILAYUJAMT-UHFFFAOYSA-N	230.655	-0.116	50	10	BBGE	
CNC(=O)CCSC[C@@H]1C[C@@H]1C(=O)NN	1927917074	INPBVTOCTBXONV-BQBZGAKWSA-N	231.321	-0.518	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(CSC2)C1	1928604283	BBTHXYWOQSIEMP-SSDOTTSWSA-N	231.321	-0.960	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2CONC2=O)C1=O	1931729909	NNXSIQVLCVUYDR-SVGQVSJJSA-N	218.640	-0.496	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)CCC(=O)NN	1932221861	PKVOOLYCTSZKEX-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CCC(F)(F)CCn1cc(B(O)O)cn1	1932978143	IDIACTYJOGWZFB-UHFFFAOYSA-N	218.012	-0.002	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1CO	1936094443	NEKCWKLGFRXUOS-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
C[C@@]1(C2CC2)COCCN1C(=O)C(=O)NN	1936114445	XEVYBYKZJOYZAS-JTQLQIEISA-N	227.264	-0.996	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1nccs1	1936530357	QEWUPUSVKLFFNW-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
NNC(=O)COCCN1CC[C@H](C2CC2)C1	1936531178	DLJMDPZCIAIPTC-JTQLQIEISA-N	227.308	-0.275	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](O)(CC)C1	1937985596	TVXTWGYCOHXGAZ-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@@H]1CCOC1	1938247446	SZEVZISQNCQKJD-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1COCCCO1	1939092722	RGXINMGLRZITII-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCCO)C1CCC1	1941090407	ZOHPHNHDAVDMCU-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H]1CCO	1941095067	RXKGUGJQYHKFDU-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
CCN(CC)C1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941095418	WYRDRWVOLLWBKL-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CN1CCCCCN(C(=O)C(=O)NN)CCC1	1941342921	BLHOBNMGIVBCTJ-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
Cc1cc2n(n1)CCN([C@H](C)CC(=O)NN)C2	1942326160	QESHHIPVAGDIFJ-SECBINFHSA-N	237.307	-0.224	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1942496461	YFNCNEZRCHKFJS-FOGDFJRCSA-N	241.335	-0.295	50	10	BBGE	
CCON(C)Cc1ccc(OC)c(B(O)O)c1	1942617130	VVCJLYKORUPUQC-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
CN(CCn1ccnc1)CC(F)(F)C(=O)NN	1944476231	VKRRVYSWRLOSAU-UHFFFAOYSA-N	247.249	-0.560	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C[C@@H]1C	1944574540	WNTXFKMMFQUETH-AXTSPUMRSA-N	245.323	-0.918	50	10	BBGE	
CN1N=C([C@@H]2CC(=O)OC2=O)CCC1=O	1951987132	DFTVZPBJFRINTP-YFKPBYRVSA-N	210.189	-0.316	50	10	BBGE	
O=C(Cl)NC1[C@@H]2CS(=O)(=O)C[C@@H]12	1953758087	IONQOYHEEBLBRA-QWWZWVQMSA-N	209.654	-0.022	50	10	BBGE	
CCON(C)c1nc(B(O)O)cs1	1954092242	BISNREUGORFATH-UHFFFAOYSA-N	202.044	-0.789	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@H]1C(F)F	1954450575	HIPJVDBVVBFRGO-HRFVKAFMSA-N	209.221	-0.248	50	10	BBGE	
O=C(NCB(O)O)[C@H]1[C@H]2CCCCC[C@H]21	1960569592	TVKDASLKXGABBA-AYMMMOKOSA-N	211.070	-0.059	50	10	BBGE	
O=C1NC(=O)C2(CCN(CCCl)CC2)N1	1961309846	CYNKCTCXJNBIQG-UHFFFAOYSA-N	231.683	-0.101	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[S@](=O)C(C)(C)C1	1961394483	SHXWCPQARDFEGI-ZIDLFYJRSA-N	233.337	-0.792	50	10	BBGE	
OB(O)c1cccnc1OC1CC=CC1	1961712472	MAKQGHMHZPXEKD-UHFFFAOYSA-N	205.022	-0.141	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@H]1C(F)F	1974583230	HNBPLAKBWKRWCX-NTSWFWBYSA-N	223.223	-0.669	50	10	BBGE	
C[C@@]12CCCN(CCC(=O)NN)[C@@H]1COC2	1976540493	SXJUHLFSYUSKRP-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](O)CN(C[C@@H](C)C(=O)NN)C1CC1	1978303234	AYRLGUPGNWOAPQ-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@H]2[C@H](C(=O)O)[C@@H]2C1	1980538559	VIMIHXCIZWRTHL-KVFPUHGPSA-N	227.264	-0.129	50	10	BBGE	
COC[C@]1(F)CCN(C[C@H](C)C(=O)NN)C1	1984643701	BOXOBSJGRPJJTN-WPRPVWTQSA-N	233.287	-0.327	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1COCCOC1	1987695009	IBOWXKCEJSVRAQ-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CN(CC(F)F)c1ncc(F)cc1B(O)O	1988001901	PFFVYWHJQGTKAF-UHFFFAOYSA-N	233.986	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1[C@H](C)O	1990040618	GQRDQDNKWMRBEL-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)n(C)n1	1991330917	MWARQYSWJIPRTK-UHFFFAOYSA-N	223.041	-0.973	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CCSC1	1991330982	NOWRHZRODPCPDK-IONNQARKSA-N	241.121	-0.044	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCC#CB(O)O)CCS1	1992134643	MRCSPULPJRKASZ-DTWKUNHWSA-N	241.121	-0.350	50	10	BBGE	
CC1(C)CCC[C@@H]1C(=O)NCC#CB(O)O	1992168157	WFKJTTNYTWIFBY-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
Cc1cc(C)n(C2CN([C@H](C)C(=O)NN)C2)n1	2004368146	AMINOXCHANYKGI-SECBINFHSA-N	237.307	-0.265	50	10	BBGE	
Cc1nnc([C@@H]2CCCN2CCC(=O)NN)o1	2004409791	OOPKFBKPEQHAKO-QMMMGPOBSA-N	239.279	-0.105	50	10	BBGE	
CON(CC(C)(C)C)c1ncc(B(O)O)cn1	2004917712	XYOZTLZLOJHRHY-UHFFFAOYSA-N	239.084	-0.430	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2[C@H](C1)C2(F)F	2004933918	BDUOVRUHGRWEKE-BQBZGAKWSA-N	240.018	-0.537	50	10	BBGE	
COc1cnn(-c2nccc(C)c2B(O)O)c1	2005005536	ROJGCBJEOKPBSN-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CCN(CC(F)F)c1ncc(B(O)O)cc1F	2005017482	FVCOKGYMVYBUIA-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]([C@H](C)O)C1	2005913309	QAHDDAAQSSKQJJ-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@@H]2C[C@@H]2C1	2008840774	RCCLOGJNTCZSJF-ILWJIGKKSA-N	233.076	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(F)COCCOC1	2014016425	MVPQZYQJODDWMJ-MRVPVSSYSA-N	249.286	-0.948	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccccc1B(O)O	2022196234	JJHFKMUQGLTHTR-SECBINFHSA-N	231.060	-0.492	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)C(C)(C)C1	2052469933	XFDJNJMEUSXZMO-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]2C1	2052473251	VFRXFRGSJPLHRB-IQJOONFLSA-N	247.107	-0.219	50	10	BBGE	
CCN(C)C1CN(c2cc(C)c(B(O)O)cn2)C1	2052620533	VDFAXPBZKGVBHK-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCOc1c(OC)ccc(B(O)O)c1C=O	2060130182	DCEJKJIWJLDZGJ-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1cc(OC(F)F)cc(B(O)O)c1OC	2060186789	WGEWJSUXQSAPGZ-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1C	2079008041	DEEREOKJCZZBGO-BZBKMWRSSA-N	247.103	-0.002	50	10	BBGE	
CC(C)=CC(=O)NCCc1cccc(B(O)O)c1	2084668040	JVLRRJVVPMSAQA-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1cc(B(O)O)ccn1	2086424242	JSHJNRBEBGUTCA-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210700311	WOCXGNHLQKUCNJ-XHNCKOQMSA-N	233.287	-0.450	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NCC=CB(O)O)O1	2210966406	WZUSPNQXAKPKNA-BDAKNGLRSA-N	227.069	-0.372	50	10	BBGE	
C[C@H]1COCCN1Cc1nscc1B(O)O	2211137977	NQAZUAPZSLSDGD-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
N#CCC1CN(CC2(C(=O)NN)CCC2)C1	2212245159	FWGLYRHIPYMMEL-UHFFFAOYSA-N	222.292	-0.008	50	10	BBGE	
CCN1CC[C@H](OCC2(C(=O)NN)CC2)C1	2212263591	UQJIRINCLRGUJL-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2C[C@@]2(F)C1	2212308346	LJILHDMVHDGVEE-WCBMZHEXSA-N	231.271	-0.573	50	10	BBGE	
OB(O)c1cnc(NC2CCSCC2)nc1	2212611215	XDSSBDJAQMWDSR-UHFFFAOYSA-N	239.109	-0.536	50	10	BBGE	
C[C@H]1SCC[C@H]1Nc1ncc(B(O)O)cn1	2212613148	SLSULQJLEHDLTG-HTRCEHHLSA-N	239.109	-0.538	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1ncccc1B(O)O	2212615988	YAUFTQNKMLTURT-HTQZYQBOSA-N	224.069	-0.810	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)C[C@@H](F)C1	2213884003	LWFMIWCZRGBLAY-ZJUUUORDSA-N	247.314	-0.059	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1cccc(B(O)O)n1	2214997207	WXXHDMCPFMQALU-JGVFFNPUSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215775874	JLMPFCMVPYVKGW-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CN)CCOc1cc(B(O)O)ccn1	2217187479	ZGPQALUWATZCNC-UHFFFAOYSA-N	238.096	-0.485	50	10	BBGE	
C[C@H]1C[C@@H](N(C)c2cc(B(O)O)ccn2)CO1	2217200152	RAVTVZCWVSXJOS-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
C[C@](O)(CNc1cc(B(O)O)ccn1)C1CC1	2217205308	XBOPNEYUWSWUIM-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
C[C@@]1(C(=O)Nc2ncc(B(O)O)cn2)C=CCC1	2220139247	AGGSTMSIHIQADK-LLVKDONJSA-N	247.063	-0.549	50	10	BBGE	
C=CCC1(Oc2cc(B(O)O)c(C)cn2)CNC1	2223621623	WHYJSCCKSQIUHH-UHFFFAOYSA-N	248.091	-0.633	50	10	BBGE	
CCN(c1cc(B(O)O)c(C)cn1)[C@H]1CCNC1	2223648895	QWHWMWSVJWYECV-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CNCC12CCC2	2223650618	OPXUSMRWVRRWTF-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
N[C@@]12CC[C@@H](CN(c3cc(B(O)O)ccn3)C1)C2	2223653895	VNJMNKNFETVKAD-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)[C@H]1C1CC1	2223665399	FYPQKLNHEDURFB-GHMZBOCLSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(SC[C@H]2CCCN2)c1	2242796193	PWJMPKBJRKDLQY-SECBINFHSA-N	238.121	-0.395	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C#CB(O)O)[C@@H](C)[C@H]1C	2243357232	TWDPNMZVRCFAJS-FXQIFTODSA-N	223.037	-0.969	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@@H](F)C1	2243362382	QCYYNWITTQMZRS-RKDXNWHRSA-N	227.044	-0.354	50	10	BBGE	
COC(C)(C)CCNC(=O)C1(B(O)O)CC1	2243363344	FIPSFGOJZFLGOY-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
CCCCN(C)C(=O)c1occc1B(O)O	2243363503	HTYQGNUKZMVRAT-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
C#CCCNC(=O)c1scc(C)c1B(O)O	2243377541	BDZLUSDUMWVGQR-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)NC#N)c1	2243378791	ZLDKMKZWCDEQIH-UHFFFAOYSA-N	221.984	-0.975	50	10	BBGE	
O=C(NC[C@@H](O)C1CC1)C1CC(B(O)O)C1	2243391767	OBCIKMWOSYDWPZ-AMDVSUOASA-N	227.069	-0.874	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2CC1(CF)C2	2243392274	SOFOZUPBEDGXHK-VHSUDJNHSA-N	227.044	-0.190	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243395807	CBBKNFNOVOXEOF-XSPKLOCKSA-N	227.069	-0.515	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396651	PAVKTGOMEQCBKH-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2243400675	FZJCKGIQJJNOFA-YIKMNZTOSA-N	219.049	-0.838	50	10	BBGE	
C=C(C)CONC(=O)c1csc(B(O)O)c1	2243400726	GZKOWSCXXTVECB-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC=CCC1	2243401140	MQRAQFCQCOYERC-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCC(B(O)O)CC1	2244171387	SDMKSAUBPQKAOA-ZETCQYMHSA-N	246.097	-0.833	50	10	BBGE	
CON(C(=O)c1cocc1B(O)O)C(C)C	2244212270	NMRDDAZSIVXFIR-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCC12CC(CO1)C2	2245195094	YWWMJIGTLWQAIU-QMFGVRBNSA-N	226.276	-0.192	50	10	BBGE	
NCC=CCOc1cc(B(O)O)c(Cl)cn1	2245912636	DOGVUSBHIPESMC-UHFFFAOYSA-N	242.471	-0.692	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ncccc1B(O)O	2246771440	IEBYCSNDFOGCKJ-SSDOTTSWSA-N	235.052	-0.613	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)C1(B(O)O)CCC1	2247735667	NPZRERPRYLNVKG-BDAKNGLRSA-N	241.096	-0.197	50	10	BBGE	
O=C(C#CB(O)O)N(CCO)C1CCCCC1	2247744517	UIISPKHCFKOVNB-UHFFFAOYSA-N	239.080	-0.845	50	10	BBGE	
CN(CCc1cnc[nH]1)C(=O)C1(B(O)O)CC1	2247750941	QHFCATCOOFAICP-UHFFFAOYSA-N	237.068	-0.582	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CNC[C@@H]2C1)C1(B(O)O)CC1	2247751017	RNPBCJLJXBUTQV-BRPSZJMVSA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2247775712	OZNWLVAAKJKBDM-GMSGAONNSA-N	234.064	-0.710	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792670	UJFNQICUCPNZSH-LPEHRKFASA-N	241.096	-0.460	50	10	BBGE	
C[C@H]1CCOCCN1C(=O)C1CC(B(O)O)C1	2247793526	YICKIDSNNRDXOM-IDKOKCKLSA-N	241.096	-0.123	50	10	BBGE	
CNCCCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798932	YLDLJWVGXHORFI-MGCOHNPYSA-N	242.128	-0.303	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805501	KMPCCLXRTIFHRK-AATLWQCWSA-N	240.112	-0.422	50	10	BBGE	
C[C@@H]1N(C(=O)[C@@H]2C[C@@H]2B(O)O)CCOC1(C)C	2247806821	GLKGCKBXNFDYMT-YIZRAAEISA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247808766	WCAOHHYEDGHZNK-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
Nc1cc(F)cc(CNC(=O)C#CB(O)O)c1	2247848882	RNVBCHHGIWNMJS-UHFFFAOYSA-N	236.011	-0.961	50	10	BBGE	
O=C(NCC1CCNCC1)C1CC(B(O)O)C1	2247852068	OJNPNVLYKPHHQM-UHFFFAOYSA-N	240.112	-0.645	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@]1(C)CCOC1	2247854517	DOCVCNIQPFQSJX-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
CCCONC(=O)c1ncc(C)cc1B(O)O	2247854690	HEFABOAPYYUXLN-UHFFFAOYSA-N	238.052	-0.859	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CN1C	2247855544	UKTMPUDNBQZNDS-DTWKUNHWSA-N	240.112	-0.456	50	10	BBGE	
CC1CC(CO)(NC(=O)C2(B(O)O)CCC2)C1	2247879025	PGDDODVOZFZZSS-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](N2CCC2)C1	2247887425	OCWUNPHOKYMPEP-IVZWLZJFSA-N	238.096	-0.844	50	10	BBGE	
O=C(NC1CN(CC2CC2)C1)[C@H]1C[C@H]1B(O)O	2247898832	IATVEXQCELDHQD-VHSXEESVSA-N	238.096	-0.940	50	10	BBGE	
NCCC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247906675	ZSTMXUIKXBEYPY-XWJSGITJSA-N	240.112	-0.517	50	10	BBGE	
COC[C@H]1C=CCN1C(=O)C1CC(B(O)O)C1	2247910253	NXCPCUXKFSDFCN-UDNWOFFPSA-N	239.080	-0.347	50	10	BBGE	
NC[C@@H]1C[C@@H](F)CN1C(=O)C1CC(B(O)O)C1	2247911959	ZIXOHEILOQORNA-YNTFGVKOSA-N	244.075	-0.863	50	10	BBGE	
CCOCCCNC(=O)c1cocc1B(O)O	2249433265	KFFQJSXUZDMXRT-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2COC[C@H]1C2	2249923515	WPZHUKXWSYWHJA-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NCCC#CB(O)O)O1	2250004832	PWGAQASJSSONIF-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@@H]1CC[C@@H](C(=O)NN)C1	2251035048	SRUMPORRMBCTNT-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
Cc1nnccc1CN(C)CCCC(=O)NN	2251561857	AQZLEGRLRJBLFS-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
C#C[C@@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255454057	MFNDBAPIXDNNJH-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CC[C@@H]1C	2255501750	DGRQZNJJARLLHU-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1ccoc1B(O)O	2255717082	WHWDCZUSCKNYCR-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
CC=C1CCN(C(=O)c2ccncc2B(O)O)C1	2255725149	LDZLDPLMDDDIGC-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
NCc1cccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2255784692	QJCHQIDCCPJHKU-GHMZBOCLSA-N	248.091	-0.376	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](CO)[C@H](N)C1	2297090843	NISQZFGIQVRNFM-DJLDLDEBSA-N	217.700	-0.241	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2298106689	BCZNDFWYSJBSTP-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165263	OFIXRPQBUZCUET-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(C)[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298377498	SWZHDPUHHONWCM-IWSPIJDZSA-N	243.112	-0.380	50	10	BBGE	
COC[C@@H](OC[C@@H]1N(C)CC1(C)C)C(=O)NN	2299035304	MFTBZXYTEXMSRM-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
COC[C@@]12CCO[C@@H]1CN(CCC(=O)NN)C2	2299788967	AGPVKZUTVLCEGV-KOLCDFICSA-N	243.307	-0.896	50	10	BBGE	
CC[C@H](O)C(=O)Nc1cc(C)ccc1B(O)O	2301606910	ZNFCPTIGQCMZRP-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
C[C@H](CN(C)C)Nc1cc(B(O)O)c(F)cn1	2303835840	CXONWWCERWYRSJ-SSDOTTSWSA-N	241.075	-0.738	50	10	BBGE	
Cc1nc(OCC2CC(F)C2)ncc1B(O)O	2307278924	LHUNROTWZZSDAK-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1[C@H]2OCC[C@@H]21	2317168704	XRUUMXUFZIRKFK-JLLWLGSASA-N	244.059	-0.563	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2[C@H]3COC[C@H]23)n1	2318951795	LMAUWCKINFHPCP-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](N)C(C)C	49812290	DUNOJCGKWKPBES-ZETCQYMHSA-N	201.270	-0.227	50	10	BBGE	
CCN(CCN(C)C)[C@H](C)CC(=O)NN	58839397	AYWWKWMVQZDDJE-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
C#CCNC(=O)NNC(=O)c1ccoc1	60798158	UNIPMHNGSMZNCM-UHFFFAOYSA-N	207.189	-0.143	50	10	BBGE	
NNC(=O)[C@@H]1CCCN(C(=O)c2cccnc2)C1	66151796	CPSQJOXYYUPJJA-SNVBAGLBSA-N	248.286	-0.076	50	10	BBGE	
CCN1CCN([C@@H](C(=O)NN)C(C)C)CC1	82466003	ZDYWCGIBWCLUGC-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C(=O)NN)C(C)C	82469546	JIFJQWMLTQNMRH-SECBINFHSA-N	230.312	-0.931	50	10	BBGE	
COC(=O)CSCCCC(=O)NN	82472445	GASCFYVQDRHEEI-UHFFFAOYSA-N	206.267	-0.337	50	10	BBGE	
CC(C)(CN1CCC[C@@H](CO)C1)C(=O)NN	86597587	ANPDVYBDCGSTHL-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN2CCC[C@@H]2C1	104119977	IDFACOYNLMOWQG-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1B(O)O	195848244	IEFBZGWJGRMSDE-HLTSFMKQSA-N	226.085	-0.883	50	10	BBGE	
CCc1cc(B(O)O)cc(C(=O)OC)n1	238309816	YUHCHADDKNUBMN-UHFFFAOYSA-N	209.010	-0.890	50	10	BBGE	
CCc1cc(OC)c(OC)c(B(O)O)c1	238338297	LKYHLUOOWGWBDP-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC1	238627866	WCIRZRKZSWZDBS-UHFFFAOYSA-N	205.022	-0.788	50	10	BBGE	
OB(O)c1cccc(-c2nccs2)n1	238650404	JZVVVJWZGXADPP-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCO[C@@H]1C	251265178	ZJOFIBLEABDSLA-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1CO	251378780	VSWQMWPJMZRGBF-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CCOC(=O)C(=NO)C(C)=NNC(=O)CC#N	254558266	LKAGRAHBXBUTNL-UHFFFAOYSA-N	240.219	-0.215	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	302652237	WBRINYBXJPIMQW-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CC(=O)NN)[C@@H](C)O1	307706508	ZUVVXUGDYIIAAM-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
COCCO[C@H]1CNNC(=O)[C@@H]1Cl	308130593	ILNFADJRVJRCNY-NTSWFWBYSA-N	208.645	-0.740	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@]12CCOC2	310508225	LAEOSFKKJCQOEV-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
COC(C)(C)COc1cncc(B(O)O)c1	379167773	JSXXWFLQLOEVGB-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
CC(C)Oc1cc(B(O)O)ccc1C(=O)O	381029932	ZKDZDRHONQQTFI-UHFFFAOYSA-N	224.021	-0.148	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CSC[C@@H]1C	389653190	XJIPYPZGODGZJO-POYBYMJQSA-N	231.321	-0.505	50	10	BBGE	
CNCCN(C)Cc1nc(C(=O)NN)cs1	393209789	JDXVRCDVKBWCIZ-UHFFFAOYSA-N	243.336	-0.602	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(CO)cc(B(O)O)c1	396063364	WAJNVOZWWGORPQ-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
Nc1ccc(B(O)O)c2sc(C=O)cc12	396255686	MQLAKCPYLFAUER-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1COC(C)(C)C1	396567052	WCKARCKTQYBCDG-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN([C@H](C)CC(=O)NN)C1	401718396	XKCZDNPQASKEJS-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
O=C(/C=C/C1CC1)NNC(=O)c1cnn[nH]1	491946689	BWSZBTMWTMSJRW-ONEGZZNKSA-N	221.220	-0.468	50	10	BBGE	
O=S(=O)(CC1CC1)N1CC[C@H](B(O)O)C1	585059039	XSIHJORMRZRIBC-QMMMGPOBSA-N	233.098	-0.725	50	10	BBGE	
OB(O)c1cnn(CC[C@@H]2CCCCO2)c1	694537764	YXGKJDOYZGMYSX-JTQLQIEISA-N	224.069	-0.478	50	10	BBGE	
O=C(CCl)N1CCC(CO)(CO)C1	694653857	CUKRIAQDNUOJSW-UHFFFAOYSA-N	207.657	-0.572	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC(F)(F)C1	695080155	LJWHHBRUZMAMGD-YFKPBYRVSA-N	221.207	-0.330	50	10	BBGE	
C[C@H](CN1CC(N2CCCC2)C1)C(=O)NN	697801726	VKQFYPJBBHGGOL-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
NC(=S)NNC(=O)[C@@H](O)c1ccccc1	700852530	JAMHNEMFBWLULY-ZETCQYMHSA-N	225.273	-0.416	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1C(C)(C)O)C(=O)NN	707557820	LDCRUZJUQQCYGA-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H]1COC[C@H]1O	708125052	RWWGAFCWXKFEIV-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC1CN(C)C1	709600370	XICCASFHMCSABU-BDAKNGLRSA-N	228.340	-0.506	50	10	BBGE	
COC[C@H](Sc1cccnn1)C(=O)NN	712403368	BXDILWYHKLNWNX-LURJTMIESA-N	228.277	-0.426	50	10	BBGE	
Cl[C@H]1COCC[C@H]1NCCn1cnnn1	712594240	NYRWWZWENAXECH-JGVFFNPUSA-N	231.687	-0.341	50	10	BBGE	
CN(C)NC(=O)N1CC(F)(F)C[C@H]1C(=O)O	713552385	KYHSARHOUXOQFJ-YFKPBYRVSA-N	237.206	-0.033	50	10	BBGE	
CN1CC[C@](C)(N2CC(=O)OC(=O)C2)C1	716074370	BKLQHCHSNAJCQN-JTQLQIEISA-N	212.249	-0.534	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1cnc(B(O)O)s1	718876365	NTIRTWZDJJFSMC-FSPLSTOPSA-N	240.093	-0.905	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)c2ccoc2)C1	729528969	NDMVGEVHBOBYRK-QMMMGPOBSA-N	237.259	-0.008	50	10	BBGE	
CC1(CC(=O)NNC(=O)c2cnn[nH]2)CC1	760275223	CHWZPUUYBTVSIB-UHFFFAOYSA-N	223.236	-0.244	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	780916930	BVBVDTHXKUQTKJ-PRJMDXOYSA-N	227.264	-0.286	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)C	806771876	XBMQREARYVGBDS-BDAKNGLRSA-N	243.307	-0.490	50	10	BBGE	
O=C(NNC(=O)C1(CCF)CC1)c1cnn[nH]1	810353797	USTICYMNMXROND-UHFFFAOYSA-N	241.226	-0.295	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)CC1CC1	820758395	UWUVGWUCPOKRPL-HTQZYQBOSA-N	212.249	-0.031	50	10	BBGE	
COC1(C(=O)NNC(=O)NCC2CC2)CC1	843775120	PTCQALOMDIUAJQ-UHFFFAOYSA-N	227.264	-0.094	50	10	BBGE	
O=C(NNC(=O)C12CCN(CC1)C2)c1cc[nH]n1	912306176	IRPHAZBLJWUODL-UHFFFAOYSA-N	249.274	-0.734	50	10	BBGE	
Cc1nccnc1C(=O)NNC(=O)c1cc[nH]n1	1166395845	NRQMUPWTVWCPSN-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1	1568034040	XGQXTPTUIWBNEK-MRVPVSSYSA-N	236.231	-0.797	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)NCC	1631193790	LXZSYJZMRNIMRG-ZETCQYMHSA-N	213.237	-0.625	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NNC(N)=O)O1	1877851189	ZSJPXWRAIQQTTA-PHDIDXHHSA-N	201.226	-0.357	50	10	BBGE	
O=C(OCCl)N1CC[C@H](O)[C@@H](O)C1	1882908639	ZOGYYOJIADUWKI-WDSKDSINSA-N	209.629	-0.253	50	10	BBGE	
COC(=O)[C@H](O)CNC[C@H]1C[C@@H]1Cl	1883549625	BKFCFCQFDSBHRQ-DSYKOEDSSA-N	207.657	-0.263	50	10	BBGE	
NC[C@@H]1C[C@H]1NC(=O)/C=C/C(=O)Cl	1883647378	LQBKKDLSDVHMGF-AUGZYCGMSA-N	202.641	-0.229	50	10	BBGE	
CN(Cc1ncn(C)n1)S(=O)(=O)CCl	1885117865	MFHJRQYJECDDIT-UHFFFAOYSA-N	238.700	-0.227	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1893108815	VIRDBVSQBRSGRW-RRKCRQDMSA-N	220.700	-0.172	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=O)CCCCO1	1896734914	IUQHWDQXGWYDMV-QMMMGPOBSA-N	201.226	-0.355	50	10	BBGE	
C=C(CN(C)C[C@@]12CCOC[C@@H]1C2)B(O)O	1897283113	FVVKXJTVTAHTQS-QWRGUYRKSA-N	225.097	-0.087	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H]1F	1901201061	ANRYCWOHGZXHHC-WPRPVWTQSA-N	220.012	-0.240	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCn2cncn2)C1	1902518711	WZVIYHDENDFHMC-VIFPVBQESA-N	224.073	-0.783	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12COC[C@H]1C2(F)F	1906058861	ILVNXGLXQBQDML-BHNWBGBOSA-N	249.261	-0.422	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@H]1CF	1909490515	ZHETYJFMPDEFAX-NKWVEPMBSA-N	238.027	-0.695	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cccc(B(O)O)c2=O)O1	1910025722	QLWYJFVGAOHUGJ-RKDXNWHRSA-N	237.064	-0.904	50	10	BBGE	
C[C@H](Cn1cnc(C2CC2)cc1=O)C(=O)NN	1912237894	WOZDRKHIZWZHPZ-SSDOTTSWSA-N	236.275	-0.253	50	10	BBGE	
NNC(=O)C(F)(F)CN=S1(=O)CCC1	1913868656	ACVBKODFQCGXSP-UHFFFAOYSA-N	227.236	-0.517	50	10	BBGE	
C[C@H](CN1CC[C@@H](CC#N)C1)C(=O)NN	1915063159	NQQMWTCZGOZPBE-RKDXNWHRSA-N	210.281	-0.152	50	10	BBGE	
N#Cc1cccn1CC(F)(F)C(=O)NN	1927816803	RZCYYGZBCJMIEC-UHFFFAOYSA-N	214.175	-0.015	50	10	BBGE	
CN1CCC(C)(C(=O)NNC(N)=O)CC1	1928064233	BUUWLCOGRUZMFJ-UHFFFAOYSA-N	214.269	-0.582	50	10	BBGE	
OC[C@@H]1CCN1C[C@@H](O)CBr	1929729441	OCZQLEUITCBJSN-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](CCO)CC1	1930223987	SGXVKGLSOBINBF-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
O=C(CCl)N1C[C@@H](CCO)[C@@H](CO)C1	1930351042	FKOFEPKSLRJERU-HTQZYQBOSA-N	221.684	-0.326	50	10	BBGE	
CCCN(CCOC)C[C@@H](C)C(=O)NN	1933484237	RHLJJFGUMQQQHH-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090602	IRJHAEVDQRSMOC-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CSC[C@H]2C1	1936095192	UUKQPYYYVUAIGF-ZYUZMQFOSA-N	241.360	-0.093	50	10	BBGE	
CN1C[C@H](NC(=O)c2cn(C)nn2)[C@H](Cl)C1	1937188618	DUVLKZTZHAUSLZ-RQJHMYQMSA-N	243.698	-0.534	50	10	BBGE	
CN(CCCO)Cc1cncc(C(=O)NN)c1	1940580803	GKARWJRNXUKXSP-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1C(C)=O	1941988384	IIJDNTKMXPBIMY-SNVBAGLBSA-N	241.291	-0.403	50	10	BBGE	
NNC(=O)C1(CN2CCN(CCF)CC2)CC1	1945893350	UOIVKKKSYBOWIP-UHFFFAOYSA-N	244.314	-0.656	50	10	BBGE	
N#CC1=CCN(CCS(N)(=O)=O)CC1	1956740035	COFGTWAVVRBDND-UHFFFAOYSA-N	215.278	-0.569	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@]2(CNC(=O)N2)C1	1974909084	PQIBDRDVNABMOI-VXNVDRBHSA-N	228.683	-0.125	50	10	BBGE	
CP(C)(=O)C1CCN(C(=O)C(=O)NN)CC1	1976329413	IAEUEXRXOVSPON-UHFFFAOYSA-N	247.235	-0.410	50	10	BBGE	
CN(C)C[C@@H]1CCN1CC(F)(F)C(=O)NN	1976930976	AVPSQSNWVNPNHF-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12COC[C@H]1C2(F)F	1977407263	RJUNMLYHGCNELI-HTRCEHHLSA-N	235.234	-0.810	50	10	BBGE	
C[C@@H]1C[C@H]2CN(CCC(=O)NN)CCN2C1	1985229578	UYFLVDXYYZBQJB-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C[C@@H]2C[C@@H]2C(=O)NN)C1	2001931444	FIKGNBSNKZCFFA-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CCC#N)CC1	2003827786	DJFFIALMTNKROH-SNVBAGLBSA-N	239.323	-0.714	50	10	BBGE	
CC(C)[C@H]1CN(C)CCN1C[C@@H](C)C(=O)NN	2004015291	AOKGUUINUYAPKJ-GHMZBOCLSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@]2(CCO2)C1	2004919443	YYCZMUCTTABICY-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
Cc1cc(O[C@]2(C)CCOC2)ncc1B(O)O	2004934332	DZAUSTCWENKYGT-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
Cc1nc(OC[C@@H]2CCCO2)ccc1B(O)O	2004934478	FOKOJLYBOUIFOT-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
CCc1cnn(-c2cc(C)c(B(O)O)cn2)c1	2005010106	XFRCXZRETMJOQA-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@@H](C)N(C)C	2006998713	BEBUSKMABFHIHO-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)C1(CO)CC1	2012613347	PSTLGLNTATYSPN-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CCC[C@H]1COC2	2021404412	OYYGVDQIHVBUTE-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC1CN(C)C1	2022090025	BPGUHUYBKDSMPI-UHFFFAOYSA-N	235.092	-0.385	50	10	BBGE	
NNC(=O)CCN1CCc2ccnc(O)c2C1	2025570660	XYWCMDRAIRBVQM-UHFFFAOYSA-N	236.275	-0.475	50	10	BBGE	
Cc1cc(OCc2ncnn2C)cc(B(O)O)c1	2049635025	QQNRKBOOWJPHHD-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1ncccc1B(O)O	2056384962	ROPNTDOLXVLQAS-NGZCFLSTSA-N	248.091	-0.768	50	10	BBGE	
CCOc1cc(B(O)O)cc(C)c1[N+](=O)[O-]	2060024320	ATHHNTLNIFDBNY-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1cc(B(O)O)c([N+](=O)[O-])cc1F	2060130352	HYGQTFWEHKRWLW-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCc1c(C#N)ccc(B(O)O)c1OC	2060263827	YCPWGMLVMRBPNK-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2Cc1ccc(B(O)O)cc1	2067399288	JKQIGMFPZLVLQO-STQMWFEESA-N	246.119	-0.745	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2nccn2c1	2077430523	RAORVBGMRIBDAC-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
O=C(NCc1ccno1)c1ccc(B(O)O)cc1	2079009691	KEHBRMBCWJYXCN-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C#CCN(CC#C)C(=O)c1ccccc1B(O)O	2079011474	DNIXRDUUXYVAED-UHFFFAOYSA-N	241.055	-0.925	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1ccncc1B(O)O	2211059722	RGHUBAHSAQHMIU-OIBJUYFYSA-N	225.028	-0.112	50	10	BBGE	
C[C@H](CO)N(C)Cc1cccc(B(O)O)c1	2211131808	DDFQXVNCPSHONW-SECBINFHSA-N	223.081	-0.821	50	10	BBGE	
C#C[C@@H](C)N(C)Cc1cccc(B(O)O)c1	2211132701	PPLWDZREMOAYSK-SNVBAGLBSA-N	217.077	-0.180	50	10	BBGE	
CCN1CC[C@@H](OCC2(C(=O)NN)CC2)C1	2212263590	UQJIRINCLRGUJL-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C1CSC1	2212602666	HSHZRVBHDWYLSV-SSDOTTSWSA-N	238.121	-0.075	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCCOC2)c1	2212608495	SUVWVWNBTIOTGW-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
CNCC[C@H](C)Nc1ccc(B(O)O)cn1	2212614894	HZXVMWFJILQJDM-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)ccn1)[C@@H](C)O	2212614903	IDMUTSASLYRHRG-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1N	2214597752	ZHCOWFJSIVCKMA-JOYOIKCWSA-N	234.108	-0.855	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2COCC[C@H]21	2215775733	IRSFCFWPKGDDPH-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2216490354	CNJCSZHOYOVZQH-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)C[C@@H](F)C2)CCC1	2216493149	ZOIBEZIQYIEWJU-BDAKNGLRSA-N	245.298	-0.449	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCCC1	2216873345	XLAQHLINYJRPLE-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1c1cc(B(O)O)ccn1	2217178805	AZAIEFMNJPHISH-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
COCCCCOc1cc(B(O)O)c(C)cn1	2217180164	FVIHTHCGHOGXGV-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC[C@@H]1C(C)C	2217188798	TZVZXWADTBVAEA-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](CN)C[C@H](C)Oc1ccc(B(O)O)cn1	2217191802	LOBGUQRJRQCXHH-IUCAKERBSA-N	238.096	-0.486	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)ccn2)[C@H]1C	2217198599	DEQLLJWOCJWYLL-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2221561508	LRTNMXFMGCSBSL-RJRBEDEGSA-N	249.314	-0.131	50	10	BBGE	
OB(O)c1ccnc(N2CCC3(CC(O)C3)C2)c1	2223634046	FDVDVTOTCABDAW-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@H](C)C2)cc1B(O)O	2223643569	XJXSQEJIORGUCZ-NXEZZACHSA-N	249.123	-0.378	50	10	BBGE	
Cc1cnc(NC[C@H](C)N2CCC2)cc1B(O)O	2223644843	OMBUFHOUOSLRSN-JTQLQIEISA-N	249.123	-0.424	50	10	BBGE	
CN(C)C1(CNc2ncccc2B(O)O)CCC1	2223667959	UJJZJBSYSAJTMS-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
N[C@H]1CCCC[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2223668965	DLWBNEIZDYGBDW-KOLCDFICSA-N	249.123	-0.887	50	10	BBGE	
C[C@H](C1CC=CC1)N(C)c1ncc(B(O)O)cn1	2223670755	CEEUHEOEHWIODG-SECBINFHSA-N	247.107	-0.053	50	10	BBGE	
CC[C@H]1CN(c2cc(B(O)O)ccn2)CC[C@@H]1N	2223679772	UKNZRFTXUZZXGR-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](O)CC[C@@H]1C(=O)O	2242679243	SWNANIBXHRWJMC-RNFRBKRXSA-N	231.252	-0.918	50	10	BBGE	
O=C(NC[C@H](O)C(F)F)C1(B(O)O)CCC1	2243348252	WBBUQNBSJQEAMU-YFKPBYRVSA-N	237.011	-0.874	50	10	BBGE	
O=C(NCC1CCC1)c1coc(B(O)O)c1	2243348907	BUOUCUMTQZUMTO-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccncc1B(O)O	2243350133	WBCPWXWXBBEPLC-SSDOTTSWSA-N	220.037	-0.934	50	10	BBGE	
C[C@H](CCNC(=O)C#CB(O)O)P(C)(C)=O	2243357049	QKJCFNARCSHYKG-MRVPVSSYSA-N	245.024	-0.481	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)C1(B(O)O)CC1	2243363646	KBKIYIZLOHMPGQ-SECBINFHSA-N	221.065	-0.136	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243364634	ZZMXCKSSZRUKOQ-SFYZADRCSA-N	229.085	-0.485	50	10	BBGE	
O=C(Nc1ccsc1)c1cc(B(O)O)n[nH]1	2243372646	IRMONBQHNIUNFB-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C=CCOCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381821	JCUYKBYCBFEYRQ-DTORHVGOSA-N	227.069	-0.442	50	10	BBGE	
CCC(CC)(CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243396220	JFPFESCOGQYJFL-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
Cc1csc(C(=O)N2CCC2=O)c1B(O)O	2243404136	JTRKCPLNELXPOU-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
O=C(NC1CCNCC1)[C@H]1C[C@H](B(O)O)C1	2243427638	YIYAQXMZITYVIV-ZKCHVHJHSA-N	226.085	-0.892	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2244310244	FJPDRRQVRYCPCO-SDNRWEOFSA-N	227.308	-0.542	50	10	BBGE	
CC1(C)C[C@@]1(Cl)C(=O)NCCC#CB(O)O	2244554483	ASGPQYNXBGJSNF-SNVBAGLBSA-N	243.499	-0.084	50	10	BBGE	
COc1ccc(B(O)O)c(OC[C@H](C)OC)n1	2247233291	NUVXKJATJDOTIT-ZETCQYMHSA-N	241.052	-0.816	50	10	BBGE	
O=C(NCCN1C[C@@H]2C[C@H]2C1)C1(B(O)O)CC1	2247750523	KSNFOELMZNUMLL-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CC[C@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CC1	2247754959	OGRTVEAJTPZGIJ-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CCOC(CNC(=O)[C@H]1C[C@@H]1B(O)O)OCC	2247798034	PODAGRCHQFGIJB-YUMQZZPRSA-N	245.084	-0.635	50	10	BBGE	
CC[C@@H](CCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810125	UXRBMSKLXOPCFM-GUBZILKMSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC2(COC2)C1	2247810154	VFDZLNJEAVABSK-KYZUINATSA-N	239.080	-0.512	50	10	BBGE	
Cc1cnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247852062	OGJCKSUSXYDBGH-RKDXNWHRSA-N	235.052	-0.736	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2F)ccc1B(O)O	2247852884	BIXNGMFQDFAVDP-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@H]2CC[C@@H](C1)N2	2247859558	NVJIHDKHCAXFMF-KATARQTJSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC1CCC1)c1c(F)cccc1B(O)O	2247874417	LZHIEMLBODIQNO-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CN1CCC(C)(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247894804	KXQCMOMHXUOGBX-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(CN)CCC1	2247895473	SYMJYVANAQBHGG-KYZUINATSA-N	240.112	-0.421	50	10	BBGE	
CC(C)(O)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247897467	SOOYDWBKOGYLEO-SFYZADRCSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247897829	XGACAWCLWHEBOE-VVULQXIFSA-N	239.080	-0.610	50	10	BBGE	
CNC1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247899297	MDZXYZGOYCBFFE-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CN(C)CCCONC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901905	BFYZLJHOIPQOGF-DTORHVGOSA-N	244.100	-0.761	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2248586460	BAQORLKFNHGXBM-HSNKUXOKSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1cocc1B(O)O	2249424495	TYTPVEWSNUNPPU-GMSGAONNSA-N	237.064	-0.122	50	10	BBGE	
O=C(CCOC1CCC1)NCCC#CB(O)O	2250002324	JSGCQULOSDPRQB-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2251596852	DEPPCXWFEZKRCW-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
CC1CN(C[C@@]23CC[C@@](C(=O)NN)(CO2)C3)C1	2251803168	YKYXCARKCWIOAM-RYUDHWBXSA-N	239.319	-0.133	50	10	BBGE	
COC[C@@H](OC[C@]1(C)CCN(C)C1)C(=O)NN	2253318217	ZMHBAWYIVMSSCS-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccoc1B(O)O	2255461079	BZVLZGOCXIIVSI-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
COc1cccc(C#N)c1NC(=O)C#CB(O)O	2255467912	SWWWGJLNLYVNGT-UHFFFAOYSA-N	244.015	-0.479	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ncccc1B(O)O	2255517080	SWFGEFKOSXBQIW-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC(C2CC2)C1	2255519453	XJHQUGBLWIWJPE-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cn1)[C@@H]1CC1(C)C	2255592504	KKUHZTWYGKBIII-MRVPVSSYSA-N	249.079	-0.973	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)c[nH]1	2255670475	FWMOTZHWJHFNGM-ZJUUUORDSA-N	248.091	-0.387	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1C(=O)C[C@@H]1C	2255683156	RMHQADOXOLHZHS-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1nc(C)ccc1B(O)O	2255686358	QEBQYZMHPQBNNF-VIFPVBQESA-N	246.075	-0.624	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(F)ccc1B(O)O	2255727615	SIDIWKKIBAPPAM-SNVBAGLBSA-N	249.050	-0.212	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2255728236	BVAVXMWYIXRKBV-CUJWVEQBSA-N	249.075	-0.266	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255734240	XRFVMPVDQCEMBA-VROVMSAKSA-N	248.091	-0.607	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)[C@H](C2CC2)C1	2298370757	KVEVQGPMWJARFW-UTINFBMNSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)C1O	2298371612	PXRLXHHSWPEKSC-RBXMUDONSA-N	241.096	-0.675	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2[C@H]3COC[C@H]32)c1	2302545215	MMSCAMDLLZSZFQ-MYJAWHEDSA-N	235.048	-0.967	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1cccc(B(O)O)c1	2302907060	IOQIBWCYJVWATO-LLVKDONJSA-N	231.060	-0.441	50	10	BBGE	
OB(O)c1cc(=NCCCC(F)F)[nH]cc1F	2303834351	DRNADRFKPDGELL-UHFFFAOYSA-N	248.013	-0.220	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303848351	YCBIWXZPNUBPNP-HZGVNTEJSA-N	242.059	-0.528	50	10	BBGE	
CCN1CCCN(CCOCC(=O)NN)C1=O	2307779108	LDZVYKZCBXFHBU-UHFFFAOYSA-N	244.295	-0.860	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@@H]2C=CC[C@H]1CC2	2312848219	XKUGLNYJZDHBTJ-ZJUUUORDSA-N	246.075	-0.372	50	10	BBGE	
O=C(N[C@H]1CCc2nccn2C1)[C@@H]1C[C@H]1B(O)O	2312853405	XYHRQRLMPVPLFB-DJLDLDEBSA-N	249.079	-0.823	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2nccn2CC1	2315468667	DORONKGBNQSJKK-IUCAKERBSA-N	249.079	-0.869	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CC[C@H]2O)cc1B(O)O	2317312173	CHCJWFXOMVMURC-PRHODGIISA-N	249.075	-0.638	50	10	BBGE	
CC(=O)N/N=C(\C(=O)NN)c1ccccc1	5160014	GMMXCUJVWPKZDL-ZROIWOOFSA-N	220.232	-0.483	50	10	BBGE	
O=C(O)[C@H]1CCC(=O)N1C(=O)CCl	6855084	XXKKAVUZBPGUPL-SCSAIBSYSA-N	205.597	-0.173	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC)CC1	82465996	NCUNMFGZKVIJER-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1CO	82470213	VUJHQJWVZGHWRM-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(=O)NC(C)C	82470370	YPEQDZUNHUNCNM-MRVPVSSYSA-N	230.312	-0.789	50	10	BBGE	
NNC(=O)CCSc1nnnn1C1CC1	82471954	LHTQEESIVJGXFT-UHFFFAOYSA-N	228.281	-0.520	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCN(C)C	86313677	IOSUYULYCPXADA-RKDXNWHRSA-N	216.329	-0.506	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@@H]2CO)on1	110591848	GQSCRCCLXDZSRL-SSDOTTSWSA-N	240.263	-0.765	50	10	BBGE	
CCN(CCCO)[C@H](C)[C@@H](C)C(=O)NN	124937211	IEGMDZRPCACAPF-RKDXNWHRSA-N	217.313	-0.295	50	10	BBGE	
CC[C@@H](CSC)N(C)C(=O)C(=O)NN	160144416	RJDYJESQEISMFZ-LURJTMIESA-N	219.310	-0.424	50	10	BBGE	
OB(O)c1ccccc1COC[C@H]1CCOC1	199071935	LTPRPQSZUNEWOM-JTQLQIEISA-N	236.076	-0.081	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CC(=O)NC	211750334	SHINANXQDCZQAR-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
C[C@H](CN1CC[C@@H](CCO)C1)C(=O)NN	229247473	NZJHCKYYDKUDQR-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCN(C)C1=O	230276596	ONXSVWSBIRBBQE-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
N#Cc1cnc(C(F)(F)F)cc1B(O)O	238616389	SEJNFJIXTCEJPL-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
OB(O)c1cccc2ncnc(Cl)c12	238627514	HFMWSUOMCLZTST-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
Nc1sc2ccc(O)cc2c1B(O)O	306721859	IIGYPGGHVZJPNS-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCN(C)c1nc(N)c(C(=O)NN)nc1Cl	309210767	GHCYKPUWPQAECQ-UHFFFAOYSA-N	244.686	-0.228	50	10	BBGE	
Cc1cc(N2CCNCC2)ccc1B(O)O	309402721	DVHYZWOBTZILLK-UHFFFAOYSA-N	220.081	-0.916	50	10	BBGE	
CN(C(=O)CCl)c1c(O)nc(=O)n(C)c1N	381022492	WVHOGBYASDMWRA-UHFFFAOYSA-N	246.654	-0.730	50	10	BBGE	
NNC(=O)c1coc(CN2CC(O)C2)c1	384192524	ZVDPQEBGIWKGGT-UHFFFAOYSA-N	211.221	-0.940	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C[C@H]1C	384875778	ZJDQRJJIRJRMNM-IWSPIJDZSA-N	215.297	-0.544	50	10	BBGE	
C[C@H](O)CN(CCO)S(=O)(=O)CCCl	393688549	FVPLHTKUCOBJLB-ZETCQYMHSA-N	245.728	-0.770	50	10	BBGE	
CC(=O)[C@H](Cl)c1cc(O)cc(B(O)O)c1	396019670	GHWNNBJKUKBCLK-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1C(=O)O	396132854	MJNIYEZJYXDHRY-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
CC(=O)Cc1c(/C=C/C(=O)O)cccc1B(O)O	396137221	KYVCIYYXQASPKQ-AATRIKPKSA-N	248.043	-0.404	50	10	BBGE	
N#Cc1ccc(CO)c2cc(B(O)O)sc12	396217540	IKPOYGAYWPQXIX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCC[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396451228	IZWVNNPZCBIRSQ-WDEREUQCSA-N	223.081	-0.473	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1CSC	399994688	IXIHPYQAMGTHPY-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CC[C@@H]1COC(C)(C)CN1CC(=O)NN	403759843	FMHBPPNCHKCBKU-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
COC(=O)N(C)Cc1cccc(B(O)O)c1	405144095	KKTIQSCINMBLFF-UHFFFAOYSA-N	223.037	-0.435	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cccc(B(O)O)c1	585000485	KUSOOHHUSLBHDM-SNVBAGLBSA-N	231.060	-0.351	50	10	BBGE	
CSCCN(C)CC(F)(F)C(=O)NN	685958442	ZRLUKAOBKNXMDF-UHFFFAOYSA-N	227.280	-0.094	50	10	BBGE	
CC(C)CCOCCn1ccc(B(O)O)n1	694274930	GLEXEWJAHIQCQA-UHFFFAOYSA-N	226.085	-0.374	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H](COC)C1	706718398	YVCSONFQPFZFNK-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CCC[C@@H]1O	708051816	RCCOLFKQEWRPCO-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	710210440	PIZHHBHLUTVAOU-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
Cc1nn(C)cc1CN(C)C[C@@H](C)C(=O)NN	716414275	SGTOFEWWDZZVRK-MRVPVSSYSA-N	239.323	-0.214	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)CCBr	717354859	GYIGGVHWYDBSAY-RITPCOANSA-N	240.097	-0.371	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@H](O)CN(C)C	717363575	DYECUXGEMCQHAB-YUMQZZPRSA-N	222.716	-0.100	50	10	BBGE	
CNC(=O)CC(=O)NNc1ncncc1Cl	781831969	UOSGBOWTTFIVEN-UHFFFAOYSA-N	243.654	-0.291	50	10	BBGE	
CC1(CC(=O)NNC(=O)NC2CC2)COC1	930719781	FBCBTJVTBIYYRN-UHFFFAOYSA-N	227.264	-0.094	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCC(=O)O2)n1C	1348731120	SVDUOJYUKOOLDG-ZCFIWIBFSA-N	239.235	-0.728	50	10	BBGE	
CC(=O)NNC(=O)c1ncccc1NC(C)=O	1440723893	TXYHTYBEDAXOQC-UHFFFAOYSA-N	236.231	-0.179	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@@H](C)CC(N)=O	1463687188	PJBJFHMIHOVQHO-LURJTMIESA-N	246.336	-0.598	50	10	BBGE	
C#CCC[C@H](O)CNCc1ccccc1B(O)O	1474692649	JUMYDQRJGOIGQD-LBPRGKRZSA-N	247.103	-0.770	50	10	BBGE	
COC(=O)[C@H]1C[C@@H](C(=O)NNc2nc[nH]n2)C1	1558992371	XEAWRSCFRDOYBO-OLQVQODUSA-N	239.235	-0.553	50	10	BBGE	
COCCN(C)NC(=O)c1ccnc(CO)c1	1623890636	QYTBBGXZDRKIBL-UHFFFAOYSA-N	239.275	-0.203	50	10	BBGE	
O=C(CCc1nc[nH]n1)NNC(=O)C1CC1	1623974393	CRODMRQIIPUUKN-UHFFFAOYSA-N	223.236	-0.705	50	10	BBGE	
CCN(CCO)NC(=O)C[C@@H]1COC(=O)C1	1640011603	YCRXUUXOKZPXHB-QMMMGPOBSA-N	230.264	-0.715	50	10	BBGE	
CCOCC(=O)NNC(=O)NOCC1CC1	1681453411	SQVJDFGAKNGPCK-UHFFFAOYSA-N	231.252	-0.305	50	10	BBGE	
Cc1nonc1CNC(=O)NNc1ncccn1	1683803769	HYLQZZRAUMCCNM-UHFFFAOYSA-N	249.234	-0.006	50	10	BBGE	
NS(=O)(=O)NC1CC(Br)C1	1880046153	UAWMWZVHLAUJKC-UHFFFAOYSA-N	229.099	-0.295	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1(C)C	1885615401	AKGDVDYJBIQTBF-VQVTYTSYSA-N	221.684	-0.044	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)NNCCO	1886968212	IKFYYGKQPOPKIN-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1O	1890259087	PEZJSMHVFDYXSC-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
CN=c1nc[nH]c(=NC[C@H]2C[C@H]2Cl)[nH]1	1893098917	LRGOKHWILNUVMK-PHDIDXHHSA-N	213.672	-0.204	50	10	BBGE	
OCC(CO)(CO)CNC[C@H]1C[C@@H]1Cl	1893118093	FKWUMYFFBNXIJB-SFYZADRCSA-N	223.700	-0.833	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@@H]1C[C@H]1Cl	1893469753	LYWDZKRDJMQQJP-HSUXUTPPSA-N	240.712	-0.593	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@@H](F)C1	1900107773	RJSJPUPUTYBFAZ-XLPZGREQSA-N	231.032	-0.954	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@H]1CN	1901341598	XHTDNGVCVKPAOA-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)[C@@H](C#N)C1CCC1)S(C)(=O)=O	1901349203	VVWNTMUCLZQNAO-QMMMGPOBSA-N	245.304	-0.151	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC(C)(C)N1)S(C)(=O)=O	1901374590	FLEHXCQUOOWFAV-ZETCQYMHSA-N	249.336	-0.560	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@@H](C)N1	1901376723	FCVKNSVMKRUDSR-HTQZYQBOSA-N	249.336	-0.560	50	10	BBGE	
CN1CCC[C@H](N2CC[C@@H](B(O)O)C2)C1=O	1902515247	DLXYYTSZRRVPMF-BDAKNGLRSA-N	226.085	-0.844	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1sccc1B(O)O	1904907144	UASGXTMCSYNTDJ-IZLXSQMJSA-N	243.068	-0.342	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cc(B(O)O)co1	1904910661	BHHPNSNHISRXFQ-LJGSYFOKSA-N	227.000	-0.810	50	10	BBGE	
O[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)[C@@H](CF)[C@H]1O	1905008682	KMFYWYIJWMAHNS-OAHBRNHXSA-N	223.675	-0.011	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2COC[C@@H](C2)C1	1909122895	SKGVJYXHEUOHFH-XWLWVQCSSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@H]1CN2CCC1CC2	1910294671	LSDQRGKEEUCVIF-AXFHLTTASA-N	239.319	-0.277	50	10	BBGE	
CN1C[C@@H](C(=O)N2CC=C(C#N)CC2)NCC1=O	1917099167	YTOXKEUVKDDZTI-JTQLQIEISA-N	248.286	-0.901	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CNC(=O)N1	1923417282	QRFQZRXFTZPRKL-YFKPBYRVSA-N	244.251	-0.776	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926006807	SSCALQRURXDNOL-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)COCCOCc1ccco1	1928179826	UVDDYOWJUNTSLM-UHFFFAOYSA-N	214.221	-0.197	50	10	BBGE	
O=C(Cn1cnnc1)NCCBr	1928689552	XQRAUARLGJNLSN-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
Cc1nc(C[C@@H](Br)C(N)=O)nn1C	1929102715	WZTMKYPLHPLONY-RXMQYKEDSA-N	247.096	-0.085	50	10	BBGE	
N#Cc1ccc(C(=O)NNCCO)nc1	1929835900	ZLCQHTGOMRSSFZ-UHFFFAOYSA-N	206.205	-0.820	50	10	BBGE	
CN1C[C@H](N=c2nc[nH]n2C)[C@H](Cl)C1	1930292487	AIXZBMQRYPPCKS-RQJHMYQMSA-N	215.688	-0.430	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CC[C@@H]21	1931927400	PPJJILRQSFAOKH-WDSKDSINSA-N	215.278	-0.917	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C)(CO)C1	1935358619	LSDPTVIJAHJOTN-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cc(Cl)cnc1=O	1936081675	ALFSEMLSFVJAON-VDTYLAMSSA-N	242.666	-0.477	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCCO)C1CC1	1936093503	FHCSMGASWMPIIS-SCZZXKLOSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(C)C1(O)CCN(CC(=O)NN)CC1	1936464847	GAWHSNJIXGAWQH-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N1CCC(O)(C#N)CC1	1937393157	JSMMZEHMEXHVNR-VHSXEESVSA-N	226.276	-0.249	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H](O)C1	1939030946	CQZOZXHNCCLATF-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN(C)C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081292	ASXXZGMNXJRHRF-OUAUKWLOSA-N	240.351	-0.504	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2[C@@H](C1)C2(F)F	1946730047	XIYXHTQYBRLRFR-XLPZGREQSA-N	249.261	-0.422	50	10	BBGE	
C[C@@]12C[C@@H]1C(=O)N(C[C@@H]1C[C@H]1C(=O)NN)C2=O	1946991452	QGQDOIQEFGTGDA-ZSJKCOSDSA-N	237.259	-0.993	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H]2C[C@@H](O)C3)CC1	1949277477	PPHJIGKCYUGXAT-ILWJIGKKSA-N	239.319	-0.256	50	10	BBGE	
COCCC1(C(=O)NNC(N)=O)CC1	1955204923	SKIWPWOMWGWLNT-UHFFFAOYSA-N	201.226	-0.497	50	10	BBGE	
CS(=O)(=O)CC1CN(C[C@@H](O)CCl)C1	1955369187	CCYBNXLRXBNEQK-QMMMGPOBSA-N	241.740	-0.438	50	10	BBGE	
CC[C@H]1C(=O)NCCN1C[C@H](O)CCl	1956255795	DJZGDXNQVHTUET-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
CCCNC(=O)[C@@H]1CCCN1C(=O)NN	1961189607	VPZMMNLGQZQYFH-ZETCQYMHSA-N	214.269	-0.440	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@H]1CCSC1	1961718667	RPPQMWGHQAJTQK-LURJTMIESA-N	244.150	-0.235	50	10	BBGE	
C[C@H]1COCCN1c1nc(B(O)O)cs1	1961719199	ZOWQGSARKPDTHD-LURJTMIESA-N	228.082	-0.952	50	10	BBGE	
CC1(C#N)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1962716372	UDBSFUNTNMAWNG-SFYZADRCSA-N	208.265	-0.542	50	10	BBGE	
OB(O)c1cnc(N2C3CCC2CC3)nc1	1962718432	LJPLXSYPDDNVNY-UHFFFAOYSA-N	219.053	-0.712	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@]1(C)CCOC1	1974594847	HSKHLIINQOIKGP-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCN(C)[C@@H]2C1	1976008309	ZYYKOOKFORLFDO-OPRDCNLKSA-N	226.324	-0.609	50	10	BBGE	
CSCCCC(=O)N[C@H](CB(O)O)C(=O)O	1976996228	XEMXFBHTOSVNMN-ZCFIWIBFSA-N	249.097	-0.828	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)C2COC2)CC1	1977020924	DJLIIWQPYGODCZ-SNVBAGLBSA-N	221.260	-0.358	50	10	BBGE	
Cc1ccnc(N2CCCCO2)c1B(O)O	1981413113	BJOJBZCVRQVJGB-UHFFFAOYSA-N	222.053	-0.398	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ncncc2B(O)O)C1	1981414672	VAYHMWFEVGHNPN-YUMQZZPRSA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1cccnc1N1CCCC12CC2	1981422435	OPSGDPDJWLQSRQ-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
OB(O)c1csc(N2CC3CC(F)(C3)C2)n1	1981468791	ILLFRVVIWPIRLX-UHFFFAOYSA-N	242.084	-0.239	50	10	BBGE	
Cc1cnc(SCCOCC(=O)NN)n1C	1983440404	HCOWQCDZSJOGCR-UHFFFAOYSA-N	244.320	-0.173	50	10	BBGE	
C=C(Cl)COc1nc(C)nc(C)c1B(O)O	1984160152	KVEAZEVCOXDQTM-UHFFFAOYSA-N	242.471	-0.095	50	10	BBGE	
CO[C@H](C)CCN(C)CCOCC(=O)NN	1984687721	NXMCGXMVEPCGIK-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2COCC[C@H]21	1989935331	HFWCQAKTQBIFBP-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
Cn1nncc1CCNC(=O)C=CC(=O)Cl	1991650194	AUYXMLOYVOKKSE-UHFFFAOYSA-N	242.666	-0.205	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1nc(C)no1	1997734213	ZHUMMPZTPDHSTK-QMMMGPOBSA-N	241.295	-0.032	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3(F)CC2C3)O1	2002397643	BEVSPJVNSFOLDJ-QMFGVRBNSA-N	243.282	-0.290	50	10	BBGE	
CC[C@]1(CO)COCCN1C[C@@H](C)C(=O)NN	2003264956	QWNLAQNIRPNKJY-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCCNC1=O	2004246797	IDJXONIUHGJIFA-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CCn1ncc(CN(C)C[C@H](C)C(=O)NN)n1	2004804504	OHIGIOBKSKPUMG-QMMMGPOBSA-N	240.311	-0.644	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)c1ncncc1B(O)O	2004912377	SDEBNIODHPDPED-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)c2ncncc2B(O)O)C1	2004917489	WPLVOQBCNZUJJX-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
Cc1cnc(O[C@H]2CCCOC2)c(B(O)O)c1	2004925512	RFWFUCUKFBPBOZ-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
CC[C@@H](COC)Oc1nccc(C)c1B(O)O	2004930695	VZEPYPYSXPQWFE-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CCOCCN(CC)c1ccncc1B(O)O	2004934338	FBECTDJSPFPLHC-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)CC(F)F)n1	2005016110	KXXHNIFCXSNNRE-UHFFFAOYSA-N	245.038	-0.525	50	10	BBGE	
COc1nc(N(C)[C@H]2C[C@@H]2C)ncc1B(O)O	2005103626	IVNCRMUCLHUPJZ-XPUUQOCRSA-N	237.068	-0.990	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980182	RRLRQGOWVCXYQL-LADJIXMOSA-N	241.335	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C[C@H](C)C[C@H]2C1	2010600885	QADJPAHFTGUNSN-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC(F)(F)C1	2014924543	MVBXVUGHFDAURB-UHFFFAOYSA-N	245.997	-0.254	50	10	BBGE	
CC[C@@]1(C)CN(CC(=O)NNC(C)=O)CCO1	2019207643	CKRHECCIBGJTOY-NSHDSACASA-N	243.307	-0.345	50	10	BBGE	
C[C@H]1C(C(=O)NCc2ccc(B(O)O)cc2)[C@@H]1C	2043291187	ZUAIVGNCABYTDA-RKDXNWHRSA-N	247.103	-0.115	50	10	BBGE	
NNC(=O)C(=O)N1CCC(c2ccncc2)CC1	2044827286	ICIANFPVQTVCQP-UHFFFAOYSA-N	248.286	-0.223	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)ccc2=O)ccn1	2058157050	XFKUDBNVDIPFMD-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC1(C)CC[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2068282603	GJRKOJYBIZQCMP-QMMMGPOBSA-N	249.079	-0.469	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2C[C@@H](C1)C2	2077855363	CVDATPPXDMZZEA-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
NCCSC[C@H]1CC[C@@H]1C(=O)NN	2209326655	JMKSLYPRWFMCIN-RQJHMYQMSA-N	203.311	-0.306	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNCCNCC1	2209815491	IOLZKQVCUGHDRC-SECBINFHSA-N	216.716	-0.388	50	10	BBGE	
COCCOCC1(C(=O)NN)CCC1	2209999196	QRFZSQCQJIKMEE-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
CC(C)=CC(=O)Nc1ncc(B(O)O)cn1	2211160965	CLNGLHRWAXAOEK-UHFFFAOYSA-N	221.025	-0.939	50	10	BBGE	
C#CCNC(=O)c1ccc(B(O)O)cc1Cl	2211728005	ZRVCJSRHMYQGDM-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)C1(N)CC1	2212599429	IRLGCORKJHZJSQ-SSDOTTSWSA-N	222.053	-0.980	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2C(F)F)c1	2212609971	AETAPKPOJUNSDI-SSDOTTSWSA-N	228.007	-0.395	50	10	BBGE	
OB(O)c1ccc(NCc2cnccn2)nc1	2217171575	CJRIQORZXHXJPH-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Nc1nccc(B(O)O)c1F	2217183924	LNUXCGZXPVYYOL-XPUUQOCRSA-N	239.059	-0.937	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC[C@H]1C(C)C	2217188796	TZVZXWADTBVAEA-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
Cc1cc(CN=c2ncc(B(O)O)c[nH]2)cs1	2217198054	VQAFMZCOSRMPNG-UHFFFAOYSA-N	249.104	-0.440	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1Cc1cccc(B(O)O)c1	2220073492	UFUYYHJJHYYGBM-LBPRGKRZSA-N	249.119	-0.288	50	10	BBGE	
CN1CCCC[C@@H]1CNc1ccc(B(O)O)cn1	2223642727	MUWKEOXRYQGOCC-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@H](CN)C2)cc1B(O)O	2223653401	RBJQICYGFOBJIR-NXEZZACHSA-N	249.123	-0.899	50	10	BBGE	
COC[C@H]1C=CCCN1c1cc(B(O)O)ccn1	2223667276	RFINZGFAXKLSIS-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
N[C@]12CCC[C@H]1CN(c1ncccc1B(O)O)C2	2223671736	ASPIZHRLJYHYFX-CABZTGNLSA-N	247.107	-0.921	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2243386074	UGULZOOODSLJOT-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cscc1B(O)O	2243399302	YPKDLCOIGBNZCT-HZGVNTEJSA-N	239.105	-0.044	50	10	BBGE	
CS[C@@H]1CCCN(C(=O)C#CB(O)O)CC1	2243399961	SYHSKUVEZSXOCD-SECBINFHSA-N	241.121	-0.254	50	10	BBGE	
CC1(C)[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243404038	ICSZWHMABKBVLE-BWZBUEFSSA-N	227.069	-0.779	50	10	BBGE	
O=C(N1CC2(CC(F)C2)C1)C1(B(O)O)CC1	2243411330	RMCFIUYMDIDDRD-UHFFFAOYSA-N	227.044	-0.046	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2243414071	SPNCCNZJMZUUDS-DFAZKQQPSA-N	227.069	-0.779	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@H]1B(O)O	2243415547	XKVTWVZOBAQIAE-BZNPZCIMSA-N	227.069	-0.874	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cocc1B(O)O	2244206290	UOEHMJZANFHWJI-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C(C)(C)C	2244210052	DLDAHTLVAPJQNJ-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
COC[C@@](C)(NC(=O)C1(B(O)O)CC1)C1CC1	2247751425	XQLSNEVZOSONIN-SNVBAGLBSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1CCN1C(=O)c1cc(F)ccc1B(O)O	2247752466	PUVLPCWOFMIMLP-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2247758723	WHNJGOPMOKBPLJ-HRDYMLBCSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CCN1	2247759022	YFBFVBAKCZZYLH-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
C=C(C)CNC(=O)c1cc(C)ccc1B(O)O	2247761108	RABXOHLYJSNIDQ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1O	2247789809	BPZIRWNEYXBZFV-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
N[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C12CCC2	2247798089	QBTXAHJTWSZUHR-BGZDPUMWSA-N	238.096	-0.765	50	10	BBGE	
O=C(N[C@@H]1CC12CCNCC2)[C@H]1C[C@@H]1B(O)O	2247798680	WFJHEGFOXGWNIQ-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
CNCCCCN(C)C(=O)C1CC(B(O)O)C1	2247798933	YLDLJWVGXHORFI-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247807015	GXYVBOHDEJFFQP-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)O1	2247809423	ZGHXEGALQPPYDR-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@H]1CCO2	2247846750	LTFYLPAGZUARTG-GXSJLCMTSA-N	237.064	-0.923	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@]21CO)C1(B(O)O)CC1	2247855323	QMIMKJOWAUCQER-QXFUBDJGSA-N	239.080	-0.729	50	10	BBGE	
CC1(C)CNCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247860398	WNTDUUWZRALNAO-DTWKUNHWSA-N	240.112	-0.693	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1C(=O)C1(B(O)O)CC1	2247878678	MDSLKUZFRXTLQZ-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247888022	UZUFNMGJHUYVDR-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](CC1CNC1)NC(=O)C1CC(B(O)O)C1	2247905608	UVZGVQZUXYPWBT-CUUXFQNZSA-N	240.112	-0.646	50	10	BBGE	
C=C(C)C(=O)N1CCc2cc(B(O)O)ccc21	2248414313	IGYWCRWNHNTULF-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248574049	NGVLIGOVIUDCMR-RNJXMRFFSA-N	241.052	-0.828	50	10	BBGE	
CCC[C@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2248584778	BJDQDQQARMBFJF-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248585061	FXABQQZTFGWYDL-XLPZGREQSA-N	241.052	-0.828	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@H]2CN1C[C@@H](C)C(=O)NN	2248683291	BZBJDGSIFFMXHW-DTHBNOIPSA-N	241.335	-0.031	50	10	BBGE	
Cc1cc(C(=O)N(C)[C@@H](C)CF)oc1B(O)O	2249300229	RGLKSZPIWMMZAH-ZETCQYMHSA-N	243.043	-0.302	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1cocc1B(O)O	2249411839	UNWHFPHEMIOKBK-GXSJLCMTSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2cocc2B(O)O)C1	2249416920	YRXLPAVGGQQHJK-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)C1CCOCC1	2250553036	VDQYGCPTTBKVNS-UHFFFAOYSA-N	245.279	-0.262	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCO)c1ccccc1	2255571271	NTKCKYICUJZLMS-QWRGUYRKSA-N	249.075	-0.125	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255670902	JYJJUKGUBSTGKR-PSASIEDQSA-N	248.091	-0.530	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1ccc(B(O)O)o1	2255672788	ABHZYJHCQCKLLX-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](c2cnc[nH]2)C1	2255679374	HCEKRBUCCYCLBS-VIFPVBQESA-N	247.063	-0.869	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2[C@H]3CC[C@H]32)c(B(O)O)c1	2255692733	WKJMGFJCNBFTAS-GDGBQDQQSA-N	245.087	-0.187	50	10	BBGE	
CN(Cc1c[nH]nc1C1CC1)C(=O)C#CB(O)O	2257217356	KHYDBRJGGRLYIH-UHFFFAOYSA-N	247.063	-0.739	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ncncc1B(O)O	2260401802	QKUWQEZKCYIOEM-QMMMGPOBSA-N	249.079	-0.902	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)C(=O)[C@@H]1C[C@H]1B(O)O	2298370663	GAMURDBJRKJEMF-LRPJSKTQSA-N	239.080	-0.657	50	10	BBGE	
CO[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371679	RQSUNXLAVZAUSM-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2OCC[C@H]2C1	2298376688	IZEKEENCEAHJLY-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
CN(CCC(=O)NN)Cc1nnn2c1CCC2	2301173201	IBACBAPMBFKWJD-UHFFFAOYSA-N	238.295	-0.964	50	10	BBGE	
CC[C@H](N)COc1ccc(B(O)O)cc1C#N	2301341131	LTHFFJQCPZAIJF-JTQLQIEISA-N	234.064	-0.646	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CCCC(=O)N2)C1	2303120575	KWWGHSFMISMKCZ-KOLCDFICSA-N	240.112	-0.406	50	10	BBGE	
O=C(CCN1CC[C@@H](B(O)O)C1)NC1CCC1	2303159648	RBYYMLWSKMBSRQ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)C1(B(O)O)CCC1	2306887694	CJEKSBYINUKBSX-VIFPVBQESA-N	242.128	-0.208	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@@H](C)[C@H]3C2)c1B(O)O	2312066288	FBTMILSBVFBUES-SZEHBUNVSA-N	247.107	-0.443	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@H]1CO	2317151299	OYPUSDRSEWPFPS-NSHDSACASA-N	246.075	-0.801	50	10	BBGE	
CO[C@@]1(C)C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317305836	GQZQJFVATRTXOC-NEPJUHHUSA-N	249.075	-0.232	50	10	BBGE	
Cn1nnnc1OCCBr	34308655	JVTDFBMRJMQHEX-UHFFFAOYSA-N	207.031	-0.016	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCOCC1	82467952	SOOHEBREVAXWKQ-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(N)=O)[C@@H]1C	83525722	GJMPHNLGQNDDPL-XZBKPIIZSA-N	215.253	-0.255	50	10	BBGE	
Cc1cc(=O)n([C@H](C)C(=O)NN)cc1[N+](=O)[O-]	92803294	PWSTXXSJEYEDGG-ZCFIWIBFSA-N	240.219	-0.384	50	10	BBGE	
NNC(=O)CCCCn1cnc2c(N)ncnc21	110603936	XHHQGIMIUUTTTM-UHFFFAOYSA-N	249.278	-0.431	50	10	BBGE	
CCN1CCN(C[C@H](Cl)C#N)C(=O)C1=O	139575154	FHOBEMBYBYKQDR-SSDOTTSWSA-N	229.667	-0.192	50	10	BBGE	
COC[C@@H]1CCCN1Cc1ccccc1B(O)O	196237318	VGUADOPWZNJDCI-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
COC(=O)[C@@H](Br)[C@@H](O)CO	238328729	DLLCDHNNUJXBRM-IMJSIDKUSA-N	213.027	-0.724	50	10	BBGE	
CN1C(=O)[C@H](Cl)[C@H](CO)N(C)C1=O	238329763	LMAMRPNZEJSAAT-CRCLSJGQSA-N	206.629	-0.522	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)OC[C@H]1C	251580210	CIRAZEUGWCEXMM-XFWSIPNHSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)[C@@H](N)c1cc(F)ccc1F	258995403	LXUPWBIDLRBCST-ZETCQYMHSA-N	201.176	-0.046	50	10	BBGE	
NNC(=O)CCSCC(=O)NC1CC1	300808476	GTLNQAJLCIZMJH-UHFFFAOYSA-N	217.294	-0.622	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1[C@H](C)C(=O)NN	307019579	YLZVGROJTYAZHG-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCN(C(N)=O)C1	307236250	NMDBSUCKSZYLNT-RITPCOANSA-N	219.672	-0.117	50	10	BBGE	
C[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	309271744	BXQUROVZEAGFLS-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
CC[C@](C)(CO)S[C@H](COC)C(=O)NN	311179831	XAEWFFUINJYMRZ-VXNVDRBHSA-N	236.337	-0.115	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C)[C@H]1C	380340801	MORBOFLBYOGMHR-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
NC(=O)[C@@H]1CC(=O)C(/C=C\C=O)=C(N)C1	383980394	WQOQIPABAOYUEZ-UDIFJAKLSA-N	208.217	-0.581	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@@H](C)CC(=O)NN	385965498	ZMAMQNCTDWVAHD-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H](O)CC1	393168536	CXSQAXQKJHCAEH-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
Nc1sc2cccc(B(O)O)c2c1CO	396235867	CGOXJQIRMXERAI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc(CO)cc2c(B(O)O)csc12	396248987	NCSHNVOGRHPVCR-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)CC[C@H]1C	399432676	SDKQOKSHJBHNQS-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CCCC1	405001809	KOKCGQGMTCMYCS-UHFFFAOYSA-N	234.064	-0.006	50	10	BBGE	
O=C1N[C@H](C(=O)NNC(=O)C2CCC2)CO1	495724847	CWWJBHNEAWAZTA-LURJTMIESA-N	227.220	-0.958	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCOC[C@@H]1Cl	575467121	AMPSBIZFEZUDEN-NTSWFWBYSA-N	213.686	-0.068	50	10	BBGE	
OB(O)c1ccccc1CNC[C@H]1CCC[C@@H]1O	585025937	ADEMBJULBBMDGI-YPMHNXCESA-N	249.119	-0.383	50	10	BBGE	
COCC(COC)N1CCC(O)(C#N)CC1	687816716	AHQRQKDYCBIPQQ-UHFFFAOYSA-N	228.292	-0.002	50	10	BBGE	
CN1CCC[C@@H]1CCn1ccc(B(O)O)n1	692466851	CFBWUWJMMGYNLG-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1CN(C)C1	692717255	CIAILTVEWMETCP-VIFPVBQESA-N	214.313	-0.752	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@]1(C)CO	694659484	AKAIXTHWOUWRJX-GXSJLCMTSA-N	229.324	-0.293	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H]1CNC(=O)C(=O)NN	699849789	MPNDDZWLHRTKEF-RNFRBKRXSA-N	213.281	-0.225	50	10	BBGE	
CN1CCOC[C@@H]1CNC(=O)CCl	700170707	WDVDTXAGKQYVDF-ZETCQYMHSA-N	206.673	-0.328	50	10	BBGE	
COC[C@H]1CN([C@H](C)CC(=O)NN)CCO1	705869795	PFBBXWJFAJQULS-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CCNC(=O)CCN1CCC(O)(C#N)CC1	709392767	ZTMIDIOPNIXSLW-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
C[C@@H](C(N)=O)N(C)Cc1ccoc1C(=O)NN	711158005	OWCAJCDRXXURNO-LURJTMIESA-N	240.263	-0.811	50	10	BBGE	
CCN(CCO)Cc1cnc(C(=O)NN)s1	711158167	RNORGXKTVRLEIY-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
NNC(=O)CCCOCCOC1CC1	711944310	GLCWZDAVWJSYFY-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718260003	PCWFMRUWPUCANN-ISUQUUIWSA-N	239.319	-0.136	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1	725701647	BLNCKKKMKBNRKU-BQBZGAKWSA-N	237.708	-0.129	50	10	BBGE	
O=C(Cn1ccnc1)NNc1ncncc1F	817077120	ADUSDAIPXVMFKL-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)c1cn[nH]c1	862469420	JTGUWSBVCUHMHQ-JTQLQIEISA-N	240.263	-0.421	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=CCC[C@H]2CCO2)N1	863151357	LDWGSWJPXSGGEY-IUCAKERBSA-N	239.275	-0.064	50	10	BBGE	
NC(=O)C(=O)NN=C1C[C@H]2CCCN(C1)C2	905419503	RTNMGNDWMYKZQA-SSDOTTSWSA-N	224.264	-0.940	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@H]1CCOC1	1318538069	ULIVTALINAZQJN-VIFPVBQESA-N	249.270	-0.192	50	10	BBGE	
O=C1CC([C@@H]2CCS(=O)(=O)C2)CC(=O)O1	1536206436	GSALSMDLNURBAM-ZCFIWIBFSA-N	232.257	-0.099	50	10	BBGE	
Cc1ccnn1CC(=O)NNC(=O)c1ccc[nH]1	1539096890	VOCNUDFHDPGVBU-UHFFFAOYSA-N	247.258	-0.019	50	10	BBGE	
CC(=O)NNC(=O)CONC(=O)OC(C)(C)C	1540576312	ITTFKFRCZOPYOI-UHFFFAOYSA-N	247.251	-0.390	50	10	BBGE	
CNC(=O)NNC(=O)C1(N(C)C)CCCC1	1625507957	VPTIOKCJAMTUCP-UHFFFAOYSA-N	228.296	-0.179	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)c1ncccn1	1638290915	ROEFBYNVGIYVKF-UHFFFAOYSA-N	238.247	-0.601	50	10	BBGE	
N=c1nc[nH]c(=NC[C@@H]2C[C@@H]2Br)[nH]1	1877372633	NTLQXYDTMNFCGQ-WHFBIAKZSA-N	244.096	-0.099	50	10	BBGE	
N[C@@H](CO)C(=O)NC1CC(Br)C1	1880958741	OCMJFHXPFIAGSI-WRVKLSGPSA-N	237.097	-0.652	50	10	BBGE	
C[C@@H](N)CS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883564067	PWBDFASKOOESQW-VQVTYTSYSA-N	226.729	-0.120	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)F)C[C@H]12	1887186029	HQRDVBIKNDXOLP-SCSAIBSYSA-N	201.157	-0.688	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@H](O)[C@H](O)C1	1887702680	BBGXAVYNFYTCHS-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
CN(C)C(=O)NN(C)S(=O)(=O)C1CC1	1888553865	DCPDLYNBPCPYAS-UHFFFAOYSA-N	221.282	-0.403	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@H](F)C1	1893603804	YGUKHNJTDLQDQT-KNVOCYPGSA-N	201.006	-0.581	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@@H]2C[C@@H]21	1895004056	SZIFIQGIKVXKMT-DTWKUNHWSA-N	226.324	-0.609	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@H]2C)n1	1897621622	PRMUZOKFFMUEKF-HTRCEHHLSA-N	222.053	-0.500	50	10	BBGE	
COC[C@H](OC[C@H]1C[C@@H]1C)C(=O)NN	1898714130	WXMWRHJDULTNKQ-RNJXMRFFSA-N	202.254	-0.336	50	10	BBGE	
NNC(=O)C(=O)N1Cc2cc(F)cnc2C1	1900309832	YKHNTYZHRRSMIP-UHFFFAOYSA-N	224.195	-0.947	50	10	BBGE	
C[C@H](CC(=O)NN)OCCN1CCOCC1	1900894105	ZFRFUDKTRXEEGL-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CNCC1CC1	1901344158	MEDKDZHJRSDLMX-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
C[C@@H](COC[C@@H]1N(C)CC1(C)C)C(=O)NN	1901425170	ISIZSIZNWRBAGD-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902538650	FPHGEARTVCHHDJ-VGMNWLOBSA-N	247.125	-0.337	50	10	BBGE	
COCCCCCCN(C)C(=O)C(=O)NN	1902613980	OYFSOBINFWPVGC-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
CC[C@H]1C[C@H]1CC(=O)NCCC#CB(O)O	1902767313	CNLSUVQFXNLIQB-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H]1CC(=O)NC1=O	1905558737	LIPFGZQEPSBXCI-UHNVWZDZSA-N	218.640	-0.465	50	10	BBGE	
CN(CCC#N)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909805035	KHXLLEKKGPQRRL-VHSXEESVSA-N	240.307	-0.241	50	10	BBGE	
COc1ccccc1C[C@](C)(N)B(O)O	1912277825	KLQXPKDGFAKFPP-JTQLQIEISA-N	209.054	-0.033	50	10	BBGE	
CO[C@H]1CCN(Cc2ccccc2B(O)O)[C@@H]1C	1914308847	NDUDUYMZOBZPCA-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
N#CC[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1915019745	WNIVINSDTTVUQJ-LPEHRKFASA-N	222.292	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@]12CCOC2	1915571224	MSCKVKJPSAHLAE-NGZCFLSTSA-N	225.292	-0.523	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)C1COC1	1915649879	HAADELCHPWOCOR-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)C2CC(N)C2)CC1	1917092466	XMSUJVNPRLSYOW-UHFFFAOYSA-N	241.316	-0.038	50	10	BBGE	
CC(C)S(=O)(=O)NNC(=O)C(F)(F)F	1923441829	GPMQWLAWSPVUMW-UHFFFAOYSA-N	234.199	-0.092	50	10	BBGE	
Cc1nn(CCOCC(=O)NN)cc1Cl	1928182343	YGTJQOMJCRNGAL-UHFFFAOYSA-N	232.671	-0.149	50	10	BBGE	
C[C@]1(OC[C@@H]2C[C@@H]2C(=O)NN)CCOC1	1928536966	MZNFSRHFITYHIJ-NRPADANISA-N	214.265	-0.192	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(F)(F)CO	1931080944	SCWIEUKRQZXPFX-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
CCOC1CN(CC2(C(=O)NN)CC2)C1	1931259244	OGKQIJUBOUZIML-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)COC[C@@H]1CCCCCO1	1932337061	CXPXPQHWAYXGFD-QMMMGPOBSA-N	202.254	-0.048	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC(F)(F)C1	1934793519	VOBGVAZPEMMZMI-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
Cc1nn(C(C)C)cc1C(=O)NCB(O)O	1935518474	DJKQELXFVLBBSJ-UHFFFAOYSA-N	225.057	-0.486	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@H]1C[C@@H]1C(=O)NN	1936085809	SAGCIILHCFCIMR-XAVMHZPKSA-N	225.292	-0.131	50	10	BBGE	
C[C@@H]1CCS(=O)(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1936089756	DWDJITWGHDVHMQ-GJMOJQLCSA-N	247.320	-0.964	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1COC[C@H]1CCl	1937178665	BWINQODLWBOURS-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
CC(C)O[C@H]1CCN(CCOCC(=O)NN)C1	1941773304	VZMTUNXUHWPBKD-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H](CO)C1CC1	1942317357	FVOTWSBWHUSQGJ-IVZWLZJFSA-N	239.271	-0.079	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](C#N)CC1	1942980647	PWXCNKFXIHIYIR-UWVGGRQHSA-N	240.307	-0.383	50	10	BBGE	
COC[C@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	1946459422	FUSULFWVLBNERY-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1ccnnc1	1946487198	HRIOUMBXDUCCPC-RKDXNWHRSA-N	233.227	-0.107	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)O)CN(C(=O)NN(C)C)C1	1950034116	SCVDRBFYZFNXAE-JGVFFNPUSA-N	245.279	-0.406	50	10	BBGE	
COCC(C)(COC)[C@@H](N)[C@@H](O)C#N	1952794400	PGLXAQMLJREACX-YUMQZZPRSA-N	202.254	-0.503	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(CF)C1	1955351264	JDOREGKVUMFCIN-BQBZGAKWSA-N	203.261	-0.098	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1955651682	FRAVSKITULKMHK-GJMOJQLCSA-N	221.684	-0.042	50	10	BBGE	
O=C(O)[C@@]1(C[C@H](O)CCl)CNCCO1	1956253261	WNIVHZSKCAXVRM-POYBYMJQSA-N	223.656	-0.581	50	10	BBGE	
COC1CC(CC(=O)NNCCO)C1	1956498091	LPRHAPFJRZEIKT-UHFFFAOYSA-N	202.254	-0.585	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)[C@H]2CC[C@@H]2N1	1956629970	STYUSLBHLSNPJC-CSMHCCOUSA-N	218.684	-0.451	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC[C@@H]1F	1957419378	ZHNUTXCVCGDHPZ-WDSKDSINSA-N	203.217	-0.675	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCC[C@]2(CO)C1	1958414831	BKJOARPXSXPMTP-PSASIEDQSA-N	213.281	-0.929	50	10	BBGE	
CC[C@H](O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1959511004	KQDAMOVTYNDJOS-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H]1C2	1961034367	FAVIIIKGLGHSII-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](CCl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1961459948	GCHHPSQNQHBDQX-NTSWFWBYSA-N	232.667	-0.265	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCCCl	1962120690	CYZLKEZESPUCEF-POYBYMJQSA-N	234.683	-0.236	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2C[C@H]2CCl)n1	1962190688	KINRTCFURQFQJZ-WDSKDSINSA-N	229.671	-0.185	50	10	BBGE	
O=C([C@@H]1CC2(CC2)CO1)N1CC[C@@H](B(O)O)C1	1972412643	KFUOWYIVDTWRQZ-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
CCC(CC)C(=O)N[C@H](CB(O)O)C(=O)O	1976980175	VFLCWAWIRLRIIU-SSDOTTSWSA-N	231.057	-0.535	50	10	BBGE	
Cc1nc(-n2cc(Cl)cn2)ccc1B(O)O	1981465613	OXWXTCQCSZKHGZ-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
Cc1cnc(N2CC3(CC3)C2)c(B(O)O)c1	1981468619	FUFFFDINUYKXRB-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@@H]1F	1982807995	INULINWGEKPAIA-XPUUQOCRSA-N	223.012	-0.337	50	10	BBGE	
CC(C)[C@H](OCCn1ccnc1)C(=O)NN	1986444925	HSWHXVWSZLEFJF-VIFPVBQESA-N	226.280	-0.086	50	10	BBGE	
NNC(=O)CCCCCN1CCOCCO1	1992322424	PGIOIWRMNQNUBS-UHFFFAOYSA-N	231.296	-0.200	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(N2CC(F)C2)C1	1996926073	JMQGPPMGICEELH-SFYZADRCSA-N	244.314	-0.661	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CC(OC)C2)C1	1998926840	PPCKJYUQBUNUNT-VIFPVBQESA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CC[C@@H](O)C[C@@H]21	2001968016	UHTQSJOWTFBGON-HLTSFMKQSA-N	241.291	-0.872	50	10	BBGE	
CN(C)NC(=O)N1[C@@H](C(=O)O)COCC1(C)C	2002853641	PYNYSRNTLVPSMG-SSDOTTSWSA-N	245.279	-0.263	50	10	BBGE	
N#CCCN(CCC#N)C[C@@H]1C[C@@H]1C(=O)NN	2003737019	WRCNVBNWTATNPH-UWVGGRQHSA-N	235.291	-0.258	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	2004190014	DGGWZIVUFNHISY-HOSYDEDBSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H]1CCCN1c1ccncc1B(O)O	2004931117	ZPWCHTBXCVYORU-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CN(Cc1ccsn1)c1ncccc1B(O)O	2004934878	JEDBZSURHRTXIH-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
CO[C@@H]1CCN(c2ccc(B(O)O)c(C)n2)C1	2005018171	PLGMIDTUPOCATO-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
COC[C@H](OC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)NN	2016499999	MQUPKZUWOMSWEU-CQZONYGUSA-N	240.303	-0.090	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CC(F)F)C1COC1	2019896534	BKRNGFDCFDWPNQ-HTRCEHHLSA-N	249.261	-0.422	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@H]2CCC[C@@H]2C1	2020069083	XQMFSAGVYFIPRY-NXEZZACHSA-N	238.096	-0.004	50	10	BBGE	
O=C(NOCC1CC1)c1ccccc1B(O)O	2022197246	ZYHSUMSQMRJLBH-UHFFFAOYSA-N	235.048	-0.562	50	10	BBGE	
C#CCC(=O)NCCc1ccc(B(O)O)cc1	2025205605	XGYRBBBJVVJIEH-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1cn(C)cn1	2034037993	RMOCMLZCVMINOU-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CCOc1cc(C=O)cc(C)c1B(O)O	2060140795	FDMKWMCZFUWBMM-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCc1c(C#N)cc(C=O)cc1B(O)O	2060236890	YPGJQPSBCDLXON-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccccc1CC(=O)NN	2062246892	SYKFIZZNUAADAJ-JOYOIKCWSA-N	249.314	-0.216	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3COCC[C@H]32)c1B(O)O	2073044040	UDJVITOGXMLRPI-NXEZZACHSA-N	248.091	-0.705	50	10	BBGE	
COc1ccc(NC(=O)NCC#CB(O)O)cc1	2077440022	AKQBNWNVGDRFOV-UHFFFAOYSA-N	248.047	-0.168	50	10	BBGE	
C=C(CO)CCNC(=O)c1cccc(B(O)O)c1	2079011920	LLRMRGRWQYTEGP-UHFFFAOYSA-N	249.075	-0.965	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](OC(F)(F)F)C1	2212377053	WHAKUQRJAWCXFD-ZCFIWIBFSA-N	241.213	-0.023	50	10	BBGE	
CN(C)c1ccc(B(O)O)c(C(F)(F)F)n1	2212604859	STLYNYXVPCTWLX-UHFFFAOYSA-N	233.986	-0.154	50	10	BBGE	
OB(O)c1ccnc(N2CC(CF)C2)c1F	2212606342	SCYJODOJPZSJIL-UHFFFAOYSA-N	228.007	-0.694	50	10	BBGE	
COCCCOc1cc(B(O)O)c(C)cn1	2212606662	XXJHSEXFPAUPJM-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
CCCOCCOc1cc(B(O)O)ccn1	2212608014	GCJYVBBIAJBKGG-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2CC(F)(F)C(=O)NN	2213353853	IMOVKMOAKKRITK-OOZYFLPDSA-N	249.261	-0.543	50	10	BBGE	
CNC(=O)CCN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215772231	MTQNUCVZPXZIMK-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@H]2C[C@@H]1C2	2216288355	BAQRXCSCKZDUCD-YIZRAAEISA-N	234.064	-0.419	50	10	BBGE	
CO[C@]12CC[C@H]1CN(CC(=O)NNC(C)=O)C2	2216681272	LNSWOQKPLDSDTL-ONGXEEELSA-N	241.291	-0.736	50	10	BBGE	
CC[C@H](CN(C)C)Oc1ncccc1B(O)O	2217167715	UXHFLYCEFFLIJF-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
OB(O)c1cnc(=NCCCCC2CC2)[nH]c1	2217176080	RBMKOIXZNZHRPS-UHFFFAOYSA-N	235.096	-0.430	50	10	BBGE	
CCOC(C)(C)CNc1ccc(B(O)O)cn1	2217176792	AKWDNDLKHQELDE-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
CN(CCNc1cc(B(O)O)ccn1)C1CC1	2217177345	IBBNALOGFWTLRS-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccnc(NCc2cn[nH]c2)c1F	2217182321	CBZDPUKVJYTCFS-UHFFFAOYSA-N	236.015	-0.764	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)c(C)cn1)C1CC1	2217183487	INXJNLGJFZVEAZ-NSHDSACASA-N	230.076	-0.106	50	10	BBGE	
NC[C@H]1CC[C@@H]1Oc1nccc(B(O)O)c1F	2217189705	IBWCCDWEPYJEIO-SVRRBLITSA-N	240.043	-0.983	50	10	BBGE	
C[C@@H](CC(F)F)Cn1cc(B(O)O)cnc1=O	2217403904	IEAYUUKKONGPSG-LURJTMIESA-N	246.022	-0.786	50	10	BBGE	
CO[C@H]1CC[C@H]1C(=O)Nc1cccc(B(O)O)c1	2220587974	JNEYJRFFGVQBGL-MNOVXSKESA-N	249.075	-0.270	50	10	BBGE	
Cc1cnc(OC[C@@]23CNC[C@@H]2C3)cc1B(O)O	2223619111	VZMWYDQDAJXMHS-JOYOIKCWSA-N	248.091	-0.942	50	10	BBGE	
Cc1cc(CN=c2ccc(B(O)O)c[nH]2)ccn1	2223625529	DZIDTOJUNRZMKF-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@H]2CC[C@H]1O2	2223632578	LQOSILWZMJFBBT-FXPVBKGRSA-N	248.091	-0.259	50	10	BBGE	
C#CC[C@@](C)(CO)CNc1ccc(B(O)O)cn1	2223643967	CMEIFGVCSMCSBV-GFCCVEGCSA-N	248.091	-0.805	50	10	BBGE	
Cc1cnc(OC[C@@]2(C)C=CCN2)cc1B(O)O	2223644634	LWOHVGZSJQQZHM-GFCCVEGCSA-N	248.091	-0.633	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ncccc1B(O)O	2223646049	FSEWSYXRBKUNFJ-OEIWMXHLSA-N	248.091	-0.734	50	10	BBGE	
CC[C@H]1CN(c2ccc(B(O)O)cn2)CC[C@@H]1N	2223671518	NFIYVMCICCQQDM-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2cc(B(O)O)ccn2)N1C	2223678929	JQTKAUIXFIEXKW-MWLCHTKSSA-N	249.123	-0.344	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]2(O)C[C@H]2C1	2242834215	QJKINYKWJJTECS-KBIXCLLPSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@]2(O)C[C@@H]2C1	2242834216	QJKINYKWJJTECS-WYOJIJJFSA-N	227.308	-0.542	50	10	BBGE	
CCS[C@H]1CCC[C@@H]1NC(=O)C#CB(O)O	2243349157	GYMSGJPIEHWNSS-IUCAKERBSA-N	241.121	-0.208	50	10	BBGE	
Cc1csc([C@@H](C)NC(=O)C#CB(O)O)n1	2243349631	OCJGJYQYEIHBQE-SSDOTTSWSA-N	238.077	-0.356	50	10	BBGE	
CC(C)[C@](C)(CN)NC(=O)C1(B(O)O)CC1	2243364687	AVIADJPFHLJRSM-VIFPVBQESA-N	228.101	-0.517	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CC1)C(C)(C)O	2243365354	LIVYYZCETHDDGA-ZETCQYMHSA-N	229.085	-0.341	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)C1(B(O)O)CC1	2243365655	PNYCGXPQEKJKEK-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
C#C[C@H](C)NC(=O)c1sc(C)cc1B(O)O	2243381643	HQBZGSUEJUFVLY-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243392546	UVIHMZHOJCGPBA-CIUDSAMLSA-N	229.085	-0.533	50	10	BBGE	
CC[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)OC	2243404138	JUOPYKUOSSYDHQ-YIZRAAEISA-N	229.085	-0.219	50	10	BBGE	
O=C(NCCC1(O)CC1)C1(B(O)O)CCC1	2243411235	QGYJBFQOVPYZKS-UHFFFAOYSA-N	227.069	-0.585	50	10	BBGE	
Cc1cc(C(=O)NC(C)(C)C)oc1B(O)O	2243413625	KIUWOVUZDAMOQS-UHFFFAOYSA-N	225.053	-0.204	50	10	BBGE	
O=C(NCCC1(O)CCC1)[C@@H]1C[C@@H]1B(O)O	2243415337	SIMNQUJNHFEPSE-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1[C@@H](C)[C@H]1C)B(O)O	2243433595	NTVKGTGDFZLDEE-BRPSZJMVSA-N	247.125	-0.624	50	10	BBGE	
CCONC(=O)c1cccc(Cl)c1B(O)O	2243509583	OGPGSRHWDMTPBA-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)cs1	2244144673	RTQIVHLHMSHIEW-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
C[C@H](COC(F)F)Oc1ccc(B(O)O)cn1	2246672880	ZDVKASBRAFOPSC-ZCFIWIBFSA-N	247.006	-0.232	50	10	BBGE	
O=C(Nc1ccccn1)c1ccc(B(O)O)o1	2247737431	GMQSZHWFCZYCEX-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C#CCN(C(=O)c1csc(B(O)O)c1)C1CC1	2247738934	WOYHTCSRLNBVCD-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
O=C(NCc1ccco1)c1cc(B(O)O)c[nH]1	2247744728	XIDKFCHCGBDOQL-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1cc(B(O)O)c[nH]1	2247748115	XXAXYLVKFACLQX-RQJHMYQMSA-N	240.043	-0.970	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)C1O	2247750103	DYOJMDMZXOEJGN-YUMQZZPRSA-N	241.096	-0.531	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1F	2247752644	TWPHZSSYIYRRNT-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
C#CCN(CCOC)C(=O)C1(B(O)O)CCC1	2247754288	MAHHJHLOCABPDD-UHFFFAOYSA-N	239.080	-0.508	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1occc1B(O)O	2247757611	QUYFOIRLDDVMEK-CBAPKCEASA-N	237.064	-0.170	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CCN1	2247758870	XJVIYRGJAHDRRF-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@]1(F)C[C@@H](CO)C1)[C@H]1C[C@@H]1B(O)O	2247793722	ZNXBQBQFQZIQKR-AZQAYCESSA-N	245.059	-0.924	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247796887	DRIDIZKOIHUZRG-XKNYDFJKSA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCCOC1	2247797587	LCUOCBQUOGPTNY-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
Cc1ncnc(C)c1NC(=O)[C@H]1C[C@@H]1B(O)O	2247800055	KXIFSPWBNUFJMB-YUMQZZPRSA-N	235.052	-0.105	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]2CCC[C@@H]2C1	2247847360	WEQPZCZPGHSAGJ-RTCCRHLQSA-N	235.092	-0.056	50	10	BBGE	
C[C@H]1CCC[C@](CO)(NC(=O)C#CB(O)O)C1	2247850613	QOVJTYBCEVTQBV-ONGXEEELSA-N	239.080	-0.941	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cccc(B(O)O)c1F	2247870281	HMKVSRDGOIKOPV-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)C1)C1(B(O)O)CCC1	2247879509	TUZKKOZSXOYMRA-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2247888036	VEXMPOHZHJDEPO-WMXKMFIZSA-N	235.092	-0.038	50	10	BBGE	
CC1(C)CNCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247904876	REPJUNRVPCZBFC-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
Cc1nc(CN2CCC(B(O)O)CC2)n(C)n1	2249344633	BALCOOSDTFMUQL-UHFFFAOYSA-N	238.100	-0.438	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1(C)CCC1	2249422837	SGCWCQIEZOCUAL-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(N1C[C@@H]2C[C@H](C1)[C@H]2O)C1(B(O)O)CCC1	2249571138	HAFWPENPSHWPJF-AYMMMOKOSA-N	239.080	-0.777	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1c[nH]nc1B(O)O	2250880335	YPRILHAELCAOFR-ZETCQYMHSA-N	237.068	-0.969	50	10	BBGE	
N#Cc1cc2c(n(CC(=O)NN)c1=O)CCC2	2252662636	FPRKQDDZLYAXJE-UHFFFAOYSA-N	232.243	-0.801	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CCOC2)c1	2255512518	AZAWMRIEDVQBFD-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cn1	2255515619	AHHSBQBFKXDAGT-MYJAWHEDSA-N	246.075	-0.853	50	10	BBGE	
Cc1cnc(C(=O)Nn2cccc2)c(B(O)O)c1	2255555462	BCRHOMNHAGSYSA-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
Cc1ncc2c(n1)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2255571124	MKIXJKZXLWUKOE-RKDXNWHRSA-N	247.063	-0.510	50	10	BBGE	
O=C(NCc1cccnc1)c1cc(B(O)O)c[nH]1	2255671037	LSVCBJLWWKGSKC-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]1CC1CC1	2255673202	ORNPGAQYXMAEFL-SNVBAGLBSA-N	248.091	-0.291	50	10	BBGE	
Cc1cc(C(=O)NN2CCCC2)ccc1B(O)O	2255735439	UFDBNYOCMGHDQW-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
Cc1cccc(C(=O)NCCCC#N)c1B(O)O	2255735550	VUIPZZINWCTBMB-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)Nc1ncc[nH]1	2255891004	CETJSNSQOJJBOC-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
CC[C@H](NC(=O)c1nccnc1B(O)O)C1CC1	2256067464	PNPQTSQPXTZQET-QMMMGPOBSA-N	249.079	-0.925	50	10	BBGE	
Cc1ncncc1NC(=O)c1cc(B(O)O)co1	2258131002	OYPVRGCIKGCSSZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1cocc1B(O)O	2258134557	OEQYHUMKLDFCKC-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
NNC(=O)CNC(=O)C=Cc1ccco1	2297708911	DFZLAWPUOZJGOX-UHFFFAOYSA-N	209.205	-0.601	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369865	HYIHPVPQJQTFBU-SGIHWFKDSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@H]1CCCn2ccnc21)[C@@H]1C[C@H]1B(O)O	2312859373	VEJXAFRHIOHIEJ-HLTSFMKQSA-N	249.079	-0.303	50	10	BBGE	
C[C@H]1[C@H](O)CCN1c1ccc(C=O)c(B(O)O)c1	2317306652	QUSNIAFLEWUMDP-QPUJVOFHSA-N	249.075	-0.862	50	10	BBGE	
CC1(C)[C@@H](O)CN1c1ccc(C=O)c(B(O)O)c1	2317351511	JTHNWUBTUHWDAO-NSHDSACASA-N	249.075	-0.862	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCCC(=O)O	2324220641	LSLRPLIMUIPWEV-UHFFFAOYSA-N	225.248	-0.016	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C=O)C1	54217984	VWKHVCBKHFVJCK-VIFPVBQESA-N	227.264	-0.935	50	10	BBGE	
CN(C)CCN(C)C(=O)CCCC(=O)NN	58844792	GEBKYAWBDMSEQP-UHFFFAOYSA-N	230.312	-0.833	50	10	BBGE	
CNCC1CCN(CC(=O)NNC(C)=O)CC1	63165763	PIIIXQYKSBRUHL-UHFFFAOYSA-N	242.323	-0.915	50	10	BBGE	
CN1CCN(CCCC(=O)NN)C1=O	84691051	ZXLGMMRRIKAQIK-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](C)CCC(=O)NN	110592590	BADKDKPISUBWQH-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
CCCNC(=O)[C@H]1COCCN1C(=O)CCl	130236180	KVSOXBSRBHJJKR-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
O=C(O)[C@H](Cl)CSC[C@@H](O)CO	132998959	HCVJUTLNOVZFOD-CRCLSJGQSA-N	214.670	-0.235	50	10	BBGE	
Cc1cccc(=O)n1Cc1ccc(B(O)O)cc1	199014728	HWCLFPXZJNBAEK-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
NC(=O)NNC1=Nc2ccccc2[C@H]1O	205635682	CNXAICYHVYQAGT-SSDOTTSWSA-N	206.205	-0.064	50	10	BBGE	
OB(O)c1cnc(CC(F)(F)F)nc1	206071286	LMXNICWMTGCXCA-UHFFFAOYSA-N	205.932	-0.739	50	10	BBGE	
O=S(=O)(CCCl)NCCCCO	232301909	OSTVXROROFQPJF-UHFFFAOYSA-N	215.702	-0.083	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CCOCC1	232420249	YPOSPUURQQDVPT-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
CSCCCN(C)C(=O)C(=O)NN	300882104	SLPZRBBYIKRBMR-UHFFFAOYSA-N	205.283	-0.812	50	10	BBGE	
OC[C@@H]1CN(CCBr)C[C@H]1O	306474694	WANWVGPVGOILOY-NKWVEPMBSA-N	224.098	-0.334	50	10	BBGE	
C[C@@H](NC(=O)CCN)NC(=O)CCCl	308476823	JUNJDABFJFFSCT-ZCFIWIBFSA-N	221.688	-0.458	50	10	BBGE	
CN1CC[C@@H](N(C)CCC(=O)NN)C1	308559091	DBRMKSSQJNFYQU-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
OB(O)c1ccccc1C1N2CCCN1CCC2	310684956	OHYRTSPZDVHJNV-UHFFFAOYSA-N	246.119	-0.224	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3C[C@H]3C2)on1	380334508	DXNHWIQNHDBQME-KNVOCYPGSA-N	222.248	-0.270	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1C=O	396050193	CKXSCTIETMTLPN-UHFFFAOYSA-N	206.006	-0.228	50	10	BBGE	
CCC(=O)c1cc(B(O)O)cc(C(=O)OC)c1	396136139	HVEYLAOMACQBPW-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	399447566	YLPTUPNASZQTKI-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CC[S@](=O)NCc1sccc1B(O)O	404830193	DSORUZCMQZPXKP-AWEZNQCLSA-N	233.123	-0.799	50	10	BBGE	
C[C@H](C(=O)Nc1ncc(B(O)O)s1)C1CC1	404998401	JWJURLFPCSILHD-YFKPBYRVSA-N	240.093	-0.193	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)C[C@@H](C)[C@@H]1O	688122480	QROQQLKRSXMMHN-UYXSQOIJSA-N	215.297	-0.687	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(=O)N(C)CC1	688934370	OZUZYQUSWHUQMY-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CC(C)(CN1CC[C@H](CC(N)=O)C1)C(=O)NN	690736545	IUVFKDJAVREMQM-MRVPVSSYSA-N	242.323	-0.800	50	10	BBGE	
Cc1nn(COC(C)C)c(C)c1B(O)O	694271934	UIOSLUUHBQLAAR-UHFFFAOYSA-N	212.058	-0.438	50	10	BBGE	
CC[C@@H](OC[C@@H](COC)OC)C(=O)NN	695709771	LIEXPLJGILXFNN-HTQZYQBOSA-N	220.269	-0.567	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)C[C@@H]1CO	698216028	RUGMIJQASPCKQL-RITPCOANSA-N	209.629	-0.253	50	10	BBGE	
CC(C)c1nc(CNC(=O)C(=O)NN)cs1	705529266	DFUVCSBKINDZPY-UHFFFAOYSA-N	242.304	-0.127	50	10	BBGE	
C[C@H](CN1C[C@@H]2CN(C)C[C@@H]2C1)C(=O)NN	706297456	CNAQKPWGAROQJO-BBBLOLIVSA-N	226.324	-0.894	50	10	BBGE	
C[C@@H](CN1CCCC[C@@]1(C)CO)C(=O)NN	723023265	PLLBWYFEDJSEEO-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	756765716	JXBQCXPUOQSLBP-BWZBUEFSSA-N	212.249	-0.031	50	10	BBGE	
CC(=O)NNC(=O)Nc1ccc(C(N)=O)nc1	765222679	HANJHZOFXBCUIX-UHFFFAOYSA-N	237.219	-0.647	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CCCN(C)C1=O	848378454	ROQAJAMZSKICIW-VIFPVBQESA-N	243.307	-0.536	50	10	BBGE	
COC(=O)NNC(=O)N[C@@H](CN)C(F)(F)F	848594983	IFCOJYKUZRVXHE-VKHMYHEASA-N	244.173	-0.554	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](OC)[C@@H]1CCOC1	854409705	KJWWYVATNUBPDG-ZJUUUORDSA-N	246.307	-0.353	50	10	BBGE	
CCNC(=O)NNC(=O)Cn1cncc1C	858782803	ZMWQXGVGSCCXBX-UHFFFAOYSA-N	225.252	-0.458	50	10	BBGE	
O=C(CC1(O)CCC1)NNC(=O)C1CC1	1135490735	KBQXTWSTOUCGJT-UHFFFAOYSA-N	212.249	-0.151	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(N)=O)o1	1143341806	YMEDYKILAWAURZ-LURJTMIESA-N	241.247	-0.664	50	10	BBGE	
Cn1ncc(CCC(=O)NNc2cccnn2)n1	1328607335	YHLAJBVKDSEHCO-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
CCNC(=O)CC(=O)NNc1ccc(C#N)cn1	1455577651	SBNJPLAULUBSOT-UHFFFAOYSA-N	247.258	-0.077	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ccc[n+]([O-])c1	1542470890	BLIOHQGROYISEC-UHFFFAOYSA-N	238.247	-0.328	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@@H]1COC(=O)C1	1542471086	IURAFNLAYZRNGH-ZETCQYMHSA-N	243.263	-0.322	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2ccc(F)cn2)N1	1558221067	BGNQFMDYHKFCIX-LURJTMIESA-N	224.195	-0.448	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1cc(Cl)nc(N)n1	1632784265	TYTNYWNDNMMWRQ-SCSAIBSYSA-N	243.654	-0.298	50	10	BBGE	
N[C@H](CCO)C(=O)NC1CC(Cl)C1	1883256729	YIWYBWAXXYLVEY-KPGICGJXSA-N	206.673	-0.418	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@@H]1C[C@@H]1Cl	1883635484	XWQLSUASZFXKOV-RITPCOANSA-N	201.609	-0.182	50	10	BBGE	
Cn1[nH]c(=NC2CC(Cl)C2)nc1CO	1884413039	UPVYFFKWAXIJLV-UHFFFAOYSA-N	216.672	-0.089	50	10	BBGE	
CN(C[C@H](O)CCl)[C@@H]1CCC(=O)NC1	1886156206	RNWWNYVWDLLTEJ-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(CC(=O)NN)C1	1888274903	OZLAUEXMYLKFSI-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1[C@H]2CNC[C@H]12	1893504558	JKSNZGLXWNNUFR-ZELZYMQXSA-N	214.652	-0.358	50	10	BBGE	
NNC(=O)N1CC[C@@H](C(F)(F)CO)C1	1894463076	ZPTUKKHWZLEXKS-RXMQYKEDSA-N	209.196	-0.481	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCn1cccn1	1896160549	NAPUZMDKDWJHNP-DTWKUNHWSA-N	224.264	-0.474	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CNC1CC1	1901339144	IZXLLLPKBGHELC-UHFFFAOYSA-N	249.336	-0.560	50	10	BBGE	
O=C(NCC1(CO)CNC1)[C@@H]1C[C@H]1Cl	1901392870	CKCQVKFTWUUBGL-RNFRBKRXSA-N	218.684	-0.688	50	10	BBGE	
OB(O)c1ccnc(N(CCF)CCF)c1	1901459910	BZHNHPBEGDAHEV-UHFFFAOYSA-N	230.023	-0.493	50	10	BBGE	
CC(C)=C(CN1[C@@H](C)CCS1(=O)=O)B(O)O	1901625416	LYJLEOSERXFJCL-QMMMGPOBSA-N	247.125	-0.241	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1901753770	ZLHIWRPZODMHSQ-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)C(F)F	1903022626	DKSHNFDPTJSEGA-BYPYZUCNSA-N	234.970	-0.067	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1907855869	PJYPDJZEYLMQAC-XKNYDFJKSA-N	241.335	-0.154	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2[C@@H](C(=O)NN)C(C)(C)C	1908889977	JEGTWSDRYYSDIG-GUBZILKMSA-N	240.351	-0.221	50	10	BBGE	
N#CC1=CCN(C(=O)NC[C@@H](O)C(=O)O)CC1	1917056765	MPTPGRGROLCOFU-MRVPVSSYSA-N	239.231	-0.703	50	10	BBGE	
CN(CCF)C[C@@H]1CC[C@@H](C(=O)NN)O1	1917254739	DFOBVXJYJJRKIB-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)C(F)(F)F)c1	1923394066	XQNPJOQSLCLOCG-UHFFFAOYSA-N	236.153	-0.257	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1C(C)C	1927993060	WGAPUIVHWKQQSD-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CSC2)C1	1928605579	LXMGRKGUGJYCTH-SSDOTTSWSA-N	215.322	-0.196	50	10	BBGE	
O=C(Cn1ccnn1)NCCBr	1928688794	MNQDHOUMGLAMLO-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
N#Cc1nccn1CC1(C(=O)NN)CC1	1931266476	GPSLOBYDVQAJFK-UHFFFAOYSA-N	205.221	-0.475	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@@H](C)OC	1935673095	VNDCILBOCUAHTD-ZETCQYMHSA-N	226.037	-0.254	50	10	BBGE	
CN1CC(CN(C)CC(F)(F)C(=O)NN)C1	1935927653	DJZHZSTUFMXIMC-UHFFFAOYSA-N	236.266	-0.895	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2COC[C@@H]21	1941780487	PZPHRKVUIZIXFE-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1943070349	KCOJTJSAIVPEIP-XFWSIPNHSA-N	241.335	-0.439	50	10	BBGE	
Cc1oc(CN2CC[C@H]2CO)cc1C(=O)NN	1944080119	LXOGDTHCPWBIOZ-QMMMGPOBSA-N	239.275	-0.242	50	10	BBGE	
NNC(=O)CCCCOC[C@H]1COCCCO1	1948417089	MNGIKHAUJKWZLY-JTQLQIEISA-N	246.307	-0.031	50	10	BBGE	
CCC[C@H](COC)N(C)CC(=O)NN	1954917775	WDQXBYVZPZXDPM-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CN1CCN(CCOCCCl)C[C@H]1CO	1960158196	AFRPRRPPVVTGRA-JTQLQIEISA-N	236.743	-0.150	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H]1C2	1961034369	FAVIIIKGLGHSII-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1C[C@@H](C)C(=O)NN	1961536281	JGVVDRDRIRINBC-PRJMDXOYSA-N	213.281	-0.131	50	10	BBGE	
CC(C)CN(C)c1ncc(B(O)O)cn1	1961677412	IXBYKQAWHZEMEM-UHFFFAOYSA-N	209.058	-0.751	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC2(CC2)CO1	1965258310	RQPXGDAELQYACE-UHFFFAOYSA-N	247.059	-0.466	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1ncno1	1976743460	ARZHGJDUITVLFX-SSDOTTSWSA-N	227.268	-0.340	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC2(CCC2)CO1	1979379618	LXCFXCCLRGGMJS-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2cnn(C)c2[C@H]1C	1980303417	XERRGKAUONVKEF-RQJHMYQMSA-N	223.280	-0.325	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2CSC2)n1	1981472847	UHDUOSPTVHBMQD-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
CC[C@]1(C)CCN1c1ncc(B(O)O)cn1	1982944654	OERNDBJGAYKDTJ-SNVBAGLBSA-N	221.069	-0.465	50	10	BBGE	
CCC(=O)NCCc1ccc(B(O)O)cc1	1984065295	QYIYEUATOFECHA-UHFFFAOYSA-N	221.065	-0.565	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(C1)CC(C)(O)C2	1986121049	NZEVOLBSIXISPT-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
NC(=O)NCC1CN(c2nnc(CCl)o2)C1	1987416737	ZTUROVSAHAOFGT-UHFFFAOYSA-N	245.670	-0.087	50	10	BBGE	
CCc1nc(C(=O)NCC=CB(O)O)co1	1991336144	IIKSXCIZQDLEGV-UHFFFAOYSA-N	224.025	-0.465	50	10	BBGE	
O=C(O)C1CC(O)(CNC(=O)[C@H]2C[C@H]2Cl)C1	1991685602	BDDNXARRAWDHNZ-IUBIVETDSA-N	247.678	-0.044	50	10	BBGE	
C[C@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@@H](CO)O1	1991712173	DIGCHULBVJUBEG-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
CC[C@]1(C(=O)NCC#CB(O)O)CCCO1	1992153350	NYMIHHMVEGXBOX-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccccc1B(O)O	1992835553	DASAYZQCAILRHD-IUCAKERBSA-N	223.012	-0.793	50	10	BBGE	
O=C1CN(c2ccc3nncn3c2)CC(=O)O1	1997401742	DNTMADMDKILQLT-UHFFFAOYSA-N	232.199	-0.381	50	10	BBGE	
O=C1CN(CCOC[C@@H]2CCCO2)CC(=O)O1	1997753485	ADGYAPKBXVCZET-VIFPVBQESA-N	243.259	-0.433	50	10	BBGE	
C[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1CCC1	1998130807	OKHQIDGMGWDLMP-POYBYMJQSA-N	243.068	-0.535	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@H]1N(C)C(=O)C(=O)NN	1998885998	UHWWGCSQUSPZGM-IWSPIJDZSA-N	243.307	-0.362	50	10	BBGE	
C[C@@H](CN1CCCN(C2CC2)CC1)C(=O)NN	2003817465	HFDMVTXHYGUFHY-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC=CCN2)CC1	2004079220	RDYUVAGPKVISNH-JTQLQIEISA-N	235.287	-0.218	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCCCNC1=O)C(=O)NN	2004251029	YUEVWUGPBJNPIU-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H]1COCCCN1c1ccc(B(O)O)cn1	2004916957	RZLJXXPRWZUHGM-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCC[C@@H]32)nc1	2004918840	QSQBMRUDKVQGBV-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
Cc1ncnc(O[C@H]2CO[C@@H](C)C2)c1B(O)O	2004925020	KSUNTCQXPMPJNH-POYBYMJQSA-N	238.052	-0.979	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CC2)C[C@H]1CO	2005388785	NKQVLCWOIBFGNM-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCCC12CC2	2011898747	NNNGIRMQPRUIHO-VIFPVBQESA-N	234.064	-0.132	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CCCN2C)C1	2013603343	WVKJCOKATOFLCJ-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2nncc2C1	2013642609	JMKDEZFMBXGDKX-SECBINFHSA-N	238.295	-0.748	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2CC[C@H]21	2014918087	NEBJPCOTSSMQCA-OIBJUYFYSA-N	236.055	-0.111	50	10	BBGE	
CN1CC[C@@H](OCc2nc(C(=O)NN)co2)C1	2021070293	AXSGBXFQJVLTFT-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	2022365299	SLQIDZVNQIFXNR-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCC3(CC3)CO2)n1	2025106963	SECPKNJTZAJWCE-VIFPVBQESA-N	236.080	-0.478	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@@H]3CCC[C@H]32)nc1	2052473229	RFKPZRJUDWWCFN-GHMZBOCLSA-N	248.091	-0.481	50	10	BBGE	
OB(O)c1cccnc1N1CCOC2(CCC2)C1	2052493917	GEZMKWPLGQEXHZ-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
Cc1ncccc1Cn1cccc(B(O)O)c1=O	2058155925	QCLRKCWGPLCOMJ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCn1ccc(C(=O)N[C@@H]2CCC=C2B(O)O)n1	2076077513	ZMVUXXOOFIMPFW-SECBINFHSA-N	249.079	-0.266	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccccc2B(O)O)[C@@H]1C	2079007890	BGLVIYCLASJVCA-DOFRTFSJSA-N	247.103	-0.002	50	10	BBGE	
CCON(C)Cc1ccc(B(O)O)s1	2209687148	YLDBIDLFVXAOIE-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
COC[C@H](S[C@@H]1CCNC1)C(=O)NN	2210076560	DCDSIUVCIJGUFF-RQJHMYQMSA-N	219.310	-0.914	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212289360	OUFVWCOZTDQBCV-AYMMMOKOSA-N	219.049	-0.061	50	10	BBGE	
NNC(=O)CN1CCC(OC(F)(F)F)CC1	2212378862	QXNVQZRIDUWBBW-UHFFFAOYSA-N	241.213	-0.023	50	10	BBGE	
COC12CCC(C(=O)NCB(O)O)(CC1)C2	2212594015	CMCZQBLZVVODSN-UHFFFAOYSA-N	227.069	-0.536	50	10	BBGE	
CCN[C@H](C)CNc1ncccc1B(O)O	2212603498	OWCADLSMZQXJHJ-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
C#CCCCN(C)c1ncccc1B(O)O	2212604056	LLZUHEKMTDJNEJ-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
CN(C[C@@H]1OC[C@H]2CCC[C@H]21)C(=O)C(=O)NN	2213207821	DIFYCDOFAZZSTP-HLTSFMKQSA-N	241.291	-0.750	50	10	BBGE	
CC1(O)CCN(C[C@@H]2CC[C@H]2C(=O)NN)CC1	2215775249	GIYYDEOLHAXODH-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C=CCCOC(=O)Nc1ncc(B(O)O)cn1	2216290124	BHBSNJWOVNQGNI-UHFFFAOYSA-N	237.024	-0.719	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]3C2)CCOCC1	2216871635	PCBSYRPNIZULCT-AOOOYVTPSA-N	239.319	-0.275	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)CN(C)C	2217175349	HPXDSIDBDIZQGR-SECBINFHSA-N	237.112	-0.629	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@]23CC3(F)F)nc1	2217178745	ZGZYQWFTSGGDJU-CBAPKCEASA-N	240.018	-0.029	50	10	BBGE	
C#CCC1CN(c2cc(B(O)O)c(C)cn2)C1	2217182459	CRYZBOFJHKYOQD-UHFFFAOYSA-N	230.076	-0.471	50	10	BBGE	
CC1(N)CC(Oc2nccc(B(O)O)c2F)C1	2217191962	FZBKWBXYKUUWGL-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccc(B(O)O)cc1	2218449148	HLQMEJVXCBOMHK-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
CC(C)(O)[C@H]1CCN1Cc1cccc(B(O)O)c1	2220073490	UFUYYHJJHYYGBM-GFCCVEGCSA-N	249.119	-0.288	50	10	BBGE	
Nc1cccc(CNc2cc(B(O)O)ccn2)c1	2223635735	BBIKMWUPAWHHTO-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
C[C@H](Cn1cccn1)Nc1ncccc1B(O)O	2223665698	HSIQZTFZESJAFJ-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCCCN1	2223668709	AAOUDDKCSAUYJI-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
CC(C)(CO)NS(=O)(=O)N1CC(Cl)C1	2241353763	MFEMWQXSSDESEZ-UHFFFAOYSA-N	242.728	-0.485	50	10	BBGE	
CC1(C)C(=O)NC[C@@H]1NC(=O)CCl	2241449385	BUUUEXDDZLEZEC-YFKPBYRVSA-N	204.657	-0.134	50	10	BBGE	
CO[C@H]1[C@@H](NS(=O)(=O)CCl)C[C@H]1O	2241854962	ZGPJBXTUUYWJPD-JKUQZMGJSA-N	229.685	-0.750	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@H]2C[C@@H]21	2243348211	VGDLHUAOACBCPY-RCOVLWMOSA-N	237.089	-0.338	50	10	BBGE	
CCC=CCNC(=O)c1ccoc1B(O)O	2243356036	AKCQFOVXTIPTNI-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)c[nH]1	2243357335	VDRWBWYUUSRPLD-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C1(B(O)O)CC1	2243364395	WRALDAXBOFMCRB-ULHDWMFZSA-N	221.065	-0.236	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1cc(B(O)O)sn1	2243377548	BIIJRGXVALFPFI-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243396473	MNTTUDVYWIFKIU-XHNCKOQMSA-N	228.101	-0.565	50	10	BBGE	
CP1(=O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243397199	XDJSGADVKDFWTM-JGVFFNPUSA-N	245.024	-0.316	50	10	BBGE	
C[C@@]1(CNC(=O)C#CB(O)O)CCCSC1	2243398476	FHQSITIAOZBYEX-JTQLQIEISA-N	241.121	-0.349	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@H]1O	2243399298	YPHGOJLUVDDPBL-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
CC[C@@H]1CC[C@@H](CNC(=O)C#CB(O)O)O1	2243404972	XNJNTRRVCIAJRC-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
C=C[C@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2243407891	BLSFPQAFJRJNEL-VIFPVBQESA-N	225.053	-0.857	50	10	BBGE	
Cc1cccc(C(=O)NCCF)c1B(O)O	2243409994	SRLCLUOTXXKKCM-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)on1	2243411118	ODUVPYLFIHYTJN-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
CC(C)N(CCCO)C(=O)C1(B(O)O)CC1	2243411644	XWWNVIPFTKFZFM-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@@H](C)C1CC1)B(O)O	2243411804	ALOUGFJRHUSSMQ-QMMMGPOBSA-N	247.125	-0.385	50	10	BBGE	
CN(CC[C@@H]1CCO1)C[C@@H]1C[C@@H]1C(=O)NN	2246211840	KHGREXXYIPORNO-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2O[C@H]3CC[C@H]2C3)O1	2247074536	QLIGLPOINDNMPI-QEYWKRMJSA-N	241.291	-0.308	50	10	BBGE	
CC1(C)COC[C@H]1NC(=O)C1(B(O)O)CCC1	2247734639	UYODGGLAFWILQX-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CCCC[C@@H]1O	2247740877	QWFREGVWCQWFJL-ZJUUUORDSA-N	239.080	-0.941	50	10	BBGE	
CCN(CC(F)F)C(=O)c1ccc(B(O)O)o1	2247742040	JSAYZVUWVBOKOE-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247746957	GYJZAKVOZGIGHS-SECBINFHSA-N	236.080	-0.291	50	10	BBGE	
CC1(O)CC2(CN(C(=O)C3(B(O)O)CC3)C2)C1	2247754586	NGZQHDLBGLPZEJ-UHFFFAOYSA-N	239.080	-0.633	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1occc1B(O)O	2247758903	XMRYEKHLEXWFDN-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CN1CCC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247786691	FDQAALKONZJHEZ-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
Cc1ncc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2247790390	GYEGNZZAZVYWBD-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
CC[C@@H](C[C@H](C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796685	BVXLHEYQDXAZPX-XKNYDFJKSA-N	243.112	-0.095	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC(CO)CC1	2247797924	OKMFVFDKUZEZCX-UHFFFAOYSA-N	241.096	-0.530	50	10	BBGE	
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1B(O)O	2247803421	BAFCTAKKWWAOTR-JDDHQFAOSA-N	238.096	-0.670	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCC[C@@H](O)C1	2247805472	KICZWTMPKXOSNH-UDNWOFFPSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809215	YHXHRXWQADZILS-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(CC2)CO1	2247850449	OMCKJPWMBCXKIG-UHFFFAOYSA-N	237.020	-0.873	50	10	BBGE	
CCN(CCOC)C(=O)c1ccoc1B(O)O	2247867052	XRYTWKGMAOUFNN-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1c(F)cccc1B(O)O	2247867638	JRZAUNDMXDZUJE-HZGVNTEJSA-N	237.039	-0.356	50	10	BBGE	
COc1ccncc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247887547	PGFMCTPYCIGAMA-BQBZGAKWSA-N	236.036	-0.108	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)o1	2247887844	SEKXGPRYROMYBC-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
CCOC(=O)CN(C)C(=O)C1CC(B(O)O)C1	2247893125	MRNICYWROVNFGV-UHFFFAOYSA-N	243.068	-0.739	50	10	BBGE	
C#CCOCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895422	SHVOJEYEZZJHSO-MGCOHNPYSA-N	239.080	-0.652	50	10	BBGE	
COC1(CCNC(=O)[C@@H]2C[C@H]2B(O)O)CCC1	2247897910	YJCXVQCHXVKSNH-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CN1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247898712	HDLUNGYLYUGMAQ-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@H](CCF)C1	2247899784	QBQTTZQHJMKQDL-HLTSFMKQSA-N	245.059	-0.564	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ccnc(B(O)O)c1	2248416200	OEYJEEUDFRGEPL-UHFFFAOYSA-N	232.048	-0.641	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248586331	ZIJIOLQASXMQNG-BIIVOSGPSA-N	241.052	-0.685	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1cc(B(O)O)co1	2249428575	QVYUQSSIILLNKT-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2249428576	QVYUQSSIILLNKT-QMMMGPOBSA-N	239.080	-0.019	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CC[C@@](CF)(C1)OC2	2251804707	KMRRFJOBIBCCCA-MNOVXSKESA-N	245.298	-0.183	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2253344748	YNWIZQPLFLXNJB-RRKCRQDMSA-N	248.038	-0.956	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1ccncc1B(O)O	2255455098	ZYHSKCRXHLVBDS-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1cc(B(O)O)c[nH]1	2255474962	VNVMXWHWIHUFFO-NRPADANISA-N	248.091	-0.530	50	10	BBGE	
CC12CC(NC(=O)C#CB(O)O)(C1)C1(CCC1)O2	2255476904	RMHBGAPEDUUFER-UHFFFAOYSA-N	249.075	-0.638	50	10	BBGE	
Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)nn1	2255562850	AFFHOUCSMJIKBW-NXEZZACHSA-N	249.079	-0.394	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1=O	2255673123	CRVFMLMHTOUFPP-QMMMGPOBSA-N	247.059	-0.625	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)cn1CC	2255720339	RLZHDRZRHBVUET-UHFFFAOYSA-N	248.091	-0.717	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@]2(C)C[C@H]2C)n1	2255731214	BTAVDNMMKWIINL-JMCQJSRRSA-N	248.091	-0.402	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H](O)[C@H](F)C1	2298165165	FTCRQBFPOPLSJP-JLIMGVALSA-N	245.298	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2COC[C@H]2C1	2298165264	OJOKQVGJRVXACI-LNFKQOIKSA-N	239.319	-0.419	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](OC(F)F)C1	2298375073	XRPATQGLNWOVDM-LYFYHCNISA-N	249.022	-0.311	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2[C@H](C1=O)C2(F)F	2298376801	PEEDJWNELPTAEQ-SLPGGIOYSA-N	244.990	-0.901	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(CCO)CCCO	2302050619	RWJXRXNHUVQWIX-SNVBAGLBSA-N	247.339	-0.788	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@@H]1CC[C@H](C(=O)NN)O1	2302405230	HHJGKRSAHWOHRC-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CC2CC(CNC(=O)C#CB(O)O)(C2)O1	2303095527	VDTFBPZOGNMEEN-FKTRJACZSA-N	237.064	-0.924	50	10	BBGE	
CC[C@](C)(CN(C)Cc1ncon1)C(=O)NN	2303422092	HDHXNMBHTGGXDL-SNVBAGLBSA-N	241.295	-0.092	50	10	BBGE	
OB(O)c1ccnc(OCC2=CCCOC2)c1	2307271148	IJEMKPPYWXNCPM-UHFFFAOYSA-N	235.048	-0.513	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317162333	RLNSYXXSBNGWFD-HNBZJPLGSA-N	246.075	-0.581	50	10	BBGE	
CCOC1CN(c2ccc(B(O)O)cc2C#N)C1	2317162474	RXBGCWSCBUMFJE-UHFFFAOYSA-N	246.075	-0.537	50	10	BBGE	
CN(C)CCCOc1ccc(B(O)O)cc1C#N	2317167378	GVLRDFBHHLGGSD-UHFFFAOYSA-N	248.091	-0.431	50	10	BBGE	
N#Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1	2319671365	XZKNLXFGDBMRIJ-VIFPVBQESA-N	245.047	-0.358	50	10	BBGE	
NC(=O)[C@@H]1CCCN1C(=O)CBr	34614199	GHUSFCFGIRJXFC-YFKPBYRVSA-N	235.081	-0.142	50	10	BBGE	
Cn1c(C(=O)NN)nc2cc(N)ccc21	75848624	ZJEHXPSOOIMYML-UHFFFAOYSA-N	205.221	-0.241	50	10	BBGE	
C[C@@H](CN(C)CC1CC(O)C1)C(=O)NN	84453492	TXNLATIOMNQSHY-UEJVZZJDSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)CCCN1CCCN2CCC[C@H]2C1	110584407	VRHHOUJCXSRIQL-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
NNC(=O)c1occc1CN1C(=O)[C@H]2C[C@@H]2C1=O	113667892	SJLFMOCRKSCKEC-BQBZGAKWSA-N	249.226	-0.612	50	10	BBGE	
CC(C)CNC(=O)CN(C)[C@H](C)C(=O)NN	127551008	RXTWRQXJKCQAER-MRVPVSSYSA-N	230.312	-0.931	50	10	BBGE	
C=CCN(CCO)C(=O)NC(=O)CCl	135313656	MJOMLCVXJMJSPB-UHFFFAOYSA-N	220.656	-0.058	50	10	BBGE	
N#Cc1ccccc1-n1cc(B(O)O)cn1	203614987	FHRULDSSVPEPNI-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
CNC(=O)[C@]1(C)CCN(C(=O)NN)C1	230916768	DBNYTUWPDCAZKX-MRVPVSSYSA-N	200.242	-0.972	50	10	BBGE	
CCN(CC(N)=O)C(=O)CBr	231816451	STRNINMJGRHYHV-UHFFFAOYSA-N	223.070	-0.285	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C)CC1	232418867	PFFDFDWNVCCTAO-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
CCOC(=O)OC(=O)[C@H]1CCC(=O)N1	238291763	ZIKPUJWZOVHLTQ-RXMQYKEDSA-N	201.178	-0.035	50	10	BBGE	
CCO[Si](C)(OCCN)OCCN	238314184	GJTVQSWWEPOIHC-UHFFFAOYSA-N	208.334	-0.458	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1CCCO	251257604	XMOVEDDSOIAZSL-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC[C@H](C)O	253028964	PSLKAXGLMBVRHY-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
O=C1NC(=O)C2(CCC(CB(O)O)CC2)N1	256012457	XZNULMCZLADRCD-UHFFFAOYSA-N	226.041	-0.772	50	10	BBGE	
COc1ccccc1C[C@H](N)C(=O)NN	259066648	XNYZPTNFEWQIKL-QMMMGPOBSA-N	209.249	-0.445	50	10	BBGE	
CO[C@@H]1O[C@@H]2[C@H](Cl)C(=O)O[C@H]2[C@H]1O	307147049	HQNVETSECVIEJK-SKYANUQHSA-N	208.597	-0.749	50	10	BBGE	
COC(=O)[C@H]1CSCC1=NNC(N)=O	308335571	NPMSYBINGRBHIN-BYPYZUCNSA-N	217.250	-0.453	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC(C)(C)C(=O)NN	384793431	ZNXPZZHPPFTXLI-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)[C@H]1CC	385890026	MRGYYSOJLIIESA-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@H]1COc1ccc(B(O)O)cc1	386866290	KELRRNWEEUAIJQ-NSHDSACASA-N	235.092	-0.161	50	10	BBGE	
CN(CCn1cnnc1)C(=O)CCl	388593560	BRPRECITSASRLY-UHFFFAOYSA-N	202.645	-0.025	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1cn(C)nn1	389828601	VHHYIRCFPUUHCH-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
CCOC(=O)Cc1cccc2oc(B(O)O)nc12	396111837	KHPDGJQYXOYXTF-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
Nc1c(C=O)sc2cccc(B(O)O)c12	396250808	GWLNTASCYPEZDF-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1F	397074661	LARLTGSJCKFEDX-UWVGGRQHSA-N	227.044	-0.724	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401711490	UESZFTTVNRUOJN-UTLUCORTSA-N	229.324	-0.296	50	10	BBGE	
CN(Cc1csc(B(O)O)c1)[S@@](C)=O	404911199	IVKBQLGDVGJALX-CQSZACIVSA-N	233.123	-0.847	50	10	BBGE	
CCOC(=O)[C@@H](CC)[S@](=O)CC(=O)NN	586366403	FCKLYTIDWAQCFA-NPMWZIQKSA-N	236.293	-0.933	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H](O)C1CC1	690157105	WJWAKJNQWMVCTP-OYNCUSHFSA-N	229.324	-0.296	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](CN=C=O)C1	690716148	FGKYFZIJPBFQRL-SSDOTTSWSA-N	204.251	-0.396	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(CO)(CO)C1	694687395	ROBHZDRGGAXRTG-QMMMGPOBSA-N	218.684	-0.206	50	10	BBGE	
O=C(NCB(O)O)Nc1ccc([N+](=O)[O-])cc1	701942769	GOBWEVIQLWMYOE-UHFFFAOYSA-N	238.996	-0.272	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@H]2C1	706313645	SBDZHOOYKUVKKH-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
COC[C@@H]1CN(C[C@@H](O)CCl)CCO1	706574206	PQBQUKFXWMIKAL-IUCAKERBSA-N	223.700	-0.067	50	10	BBGE	
C[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NN)C1	709239364	QXCGQVRBMJJQHI-SSDOTTSWSA-N	239.197	-0.223	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)c1cnn[nH]1	717297708	JFIUEHZPCCLSNU-LURJTMIESA-N	231.687	-0.297	50	10	BBGE	
COc1nscc1CN(C)[C@@H](C)C(=O)NN	723207238	ZMGMGGFVJGDVER-LURJTMIESA-N	244.320	-0.038	50	10	BBGE	
C[C@@H]1CCC[C@@H](NC(=O)NCB(O)O)C1	725658828	DJYNEKHYFNOVGY-HTQZYQBOSA-N	214.074	-0.124	50	10	BBGE	
CO[C@H](C)C(C)=NNC(=O)c1cn(C)nn1	853386085	TYYYYKJXDPJYSI-SSDOTTSWSA-N	225.252	-0.044	50	10	BBGE	
C[S@@](=O)N1CCCc2ccc(B(O)O)cc21	888082216	UTSSSDMWAWINKQ-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
CCn1nnc(C)c1C(=O)NN(C)C[C@@H](C)O	910145676	VOVJQYNTSQJJEZ-SSDOTTSWSA-N	241.295	-0.436	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2cnn[nH]2)CC1(F)F	1136677070	BJOYTIMRVJDXCB-ZETCQYMHSA-N	245.189	-0.389	50	10	BBGE	
O=C(NNc1ncc(F)cn1)c1n[nH]c(O)n1	1161119885	QMKUCSHOJGAFEU-UHFFFAOYSA-N	239.170	-0.804	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H](C)C1CC1	1343543619	KOHUDUXWPXTQPH-YFKPBYRVSA-N	229.236	-0.712	50	10	BBGE	
O=C(CCc1nc[nH]n1)NNc1ncccn1	1464018484	OSIRDSGTHRZNCP-UHFFFAOYSA-N	233.235	-0.329	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)C[C@@H](C)O)n[nH]1	1625938953	ZBLBYZKUAFRHIY-SECBINFHSA-N	240.307	-0.005	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1cnn[nH]1	1627298344	KURABOCYJPHEKR-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC[C@H]2C[C@H]2Cl)C1	1877380061	KUFZAXCYWOYPAI-WCTZXXKLSA-N	239.724	-0.639	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1C[C@H]1CO	1877520912	RRKDVKCBPXJQGZ-ZELZYMQXSA-N	203.625	-0.195	50	10	BBGE	
N[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1877521786	XBMZRSDAANHRQN-CWKFCGSDSA-N	218.684	-0.154	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)C1COC1	1881942948	UQRHJYBIBOYKBH-LURJTMIESA-N	223.681	-0.455	50	10	BBGE	
O=C(NNCCO)[C@H](F)C(F)(F)F	1882213193	XTKNHWDPYKUQKI-VKHMYHEASA-N	204.123	-0.500	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@@H]1Cl)C1CNC1	1883568047	TUAKYYCGQVJDGN-FSPLSTOPSA-N	224.713	-0.495	50	10	BBGE	
CN(C)NC(=O)[C@H]1CCC[C@H](CN)O1	1890868767	ZGYNOBDFBUESPF-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
O=C(Cl)C=CC(=O)N(CCO)CCO	1893411359	WKKSESVLLASBKU-UHFFFAOYSA-N	221.640	-0.879	50	10	BBGE	
O=C(N[C@H](CCO)C(=O)O)[C@@H]1C[C@@H]1Cl	1893475065	PKLMFHJMGVZVPH-NGJCXOISSA-N	221.640	-0.435	50	10	BBGE	
C[C@H]1CC(B(O)O)C[C@H](C)S1(=O)=O	1893705545	ZMIAYNGMJNYIEM-WDSKDSINSA-N	206.072	-0.185	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cnsc2B(O)O)C1	1900454456	LEZFBRFYUHCWHO-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC[C@H]1CCN1	1901340005	XIGWERZWALDFMZ-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
OB(O)[C@@H]1CCN(CCN2CCSCC2)C1	1902514150	VWCDFRJVQWZNFQ-SNVBAGLBSA-N	244.169	-0.416	50	10	BBGE	
C[C@H](CN1CC[C@H](B(O)O)C1)CS(C)(=O)=O	1902528607	IXEKNYFKHYVWKX-BDAKNGLRSA-N	249.141	-0.784	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2COC[C@@H]21)C(=O)NN	1902707684	SXKGCFMBDQIVBX-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
C=CCONC(=O)c1csc(C)c1B(O)O	1902865046	QRPNWCYTVUCCCJ-UHFFFAOYSA-N	241.077	-0.416	50	10	BBGE	
CN(CC(=O)NN)C[C@]1(O)C[C@H]1C(F)(F)F	1903119379	NGUHCZKFEVGAKJ-IYSWYEEDSA-N	241.213	-0.779	50	10	BBGE	
C[C@H]1C(CN(C)c2ncncc2B(O)O)[C@@H]1C	1907995088	DBIOAIRFYUCSHY-HTQZYQBOSA-N	235.096	-0.505	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	1908493769	MLBVJERKAUSQEP-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)[C@H]1C1CC1)C(=O)NN	1908855557	ZVSKNQPPNBTDFU-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)C12CCC2	1914395595	FHVAOUBCUXFQHE-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
COCC[S@@](C)(=O)=NCC1(C(=O)NN)CC1	1918073495	AKWPDSZLHYIZEO-MRXNPFEDSA-N	249.336	-0.499	50	10	BBGE	
C[C@@H]1C[C@H](NNC(=O)C(F)(F)F)C(=O)O1	1923425531	YLWXXGPSIOZYMB-DMTCNVIQSA-N	226.154	-0.127	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)CC2(CC2)C1	1926419338	FXAJHNUQUFFOFP-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CCN(C[C@H](C)O)C[C@H]1C[C@H]1C(=O)NN	1927914237	SACQTIVNSGWZNI-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
O=C(CCn1cnnn1)N1CC(CCl)C1	1928688409	HJCNRUZGCKQUDX-UHFFFAOYSA-N	229.671	-0.240	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C1CN(C)C1	1929070182	IDJZFIBJMKGZTM-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1C(=O)NNCCO	1929838591	PZKACJJKUTXTER-RQJHMYQMSA-N	216.237	-0.900	50	10	BBGE	
C[C@H]1CCOC[C@H]1N1CC(=O)OC(=O)C1	1932302677	BXDACTJNDALULB-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)CCC(=O)NN	1932312389	IKDWTJIFSZYQCP-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CCCN(CCOC)[C@H](C)C(=O)NN	1933483761	MIYQEAGKZGWNGZ-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCS[C@H](CO)C1	1936079285	FAHCDBKRNWYFBK-HRDYMLBCSA-N	245.348	-0.978	50	10	BBGE	
CC(C)[C@@H](OC[C@H]1COCCO1)C(=O)NN	1939102821	VFHHOSAXXAKXPD-RKDXNWHRSA-N	232.280	-0.567	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@@H](O)CC[C@@H]21)C(=O)NN	1940523140	FPMJZXWQJXQXHG-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	1941085719	FJUXGMLLULRLKA-VPOLOUISSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)C1(CN2CCCCC[C@@H]2CO)CC1	1945882240	DRQSDHJFZNUWRE-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@H]2COC[C@H]21	1955232550	FPFXOBYQLSQFKO-RNJXMRFFSA-N	219.668	-0.167	50	10	BBGE	
C[C@H](COCC1(C(=O)NN)CC1)N(C)C	1974649576	XVSCTEVBUNJZFI-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC2(CNC(=O)N2)C1	1974910424	YXUPBZWYCQUUNL-ZCFIWIBFSA-N	231.683	-0.102	50	10	BBGE	
Cl[C@@H]1CN(CCn2cnnn2)[C@@H]2COC[C@@H]12	1975949208	YEZXVMZJJOHRON-DJLDLDEBSA-N	243.698	-0.389	50	10	BBGE	
CCN(CC1CCOCC1)C(=O)C(=O)NN	1976368635	VHHNMZHPRWFILY-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](CN1C[C@H](O)C2(CCC2)C1)C(=O)NN	1978832715	VLAXDOWCRJWNEK-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CC[C@H]1CO	1978944284	JGFKVPYKEAADOU-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	1978979418	IADUASGCLBLSMF-DVVUODLYSA-N	227.308	-0.541	50	10	BBGE	
C[C@]1(F)CCN(c2ccncc2B(O)O)C1	1981414635	UQEAGYDURDGYPE-JTQLQIEISA-N	224.044	-0.300	50	10	BBGE	
CCOC(=O)[C@H]1CNCCN1C[C@H](Cl)C#N	1982217016	RXFLYMQNGHMHTM-RKDXNWHRSA-N	245.710	-0.046	50	10	BBGE	
COC[C@@]1(C)CCN1CC(F)(F)C(=O)NN	1982943997	IMWDWANUMQGAGE-MRVPVSSYSA-N	237.250	-0.278	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)C[C@H]2COCCN12	1986929304	LXVRHWKAUQJIAQ-IUCAKERBSA-N	248.710	-0.871	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)S2	1987074659	UQCXEGJATCVSEA-IEESLHIDSA-N	243.332	-0.091	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1ccccc1B(O)O	1987768108	AUDONUVKSJSFKP-LDYMZIIASA-N	222.049	-0.220	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@]12CCOC2	1991339011	UIUCYHMWAOFVSA-WCBMZHEXSA-N	225.053	-0.903	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)Cc1nc(C)no1	1997739432	BWKWDVJMATYMBE-QMMMGPOBSA-N	241.295	-0.032	50	10	BBGE	
COc1ccc(OC[C@H]2CCO2)c(B(O)O)c1	1998271739	YMRGULRIVSIQBP-SECBINFHSA-N	238.048	-0.457	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1CC(CO)C1	2002984512	PCHUUFWWVITCBK-YDYPAMBWSA-N	239.271	-0.079	50	10	BBGE	
C[C@@H](C(=O)NN)N(Cc1ccnn1C)C1CC1	2003805121	KOTDZGMEFGWTRF-QMMMGPOBSA-N	237.307	-0.237	50	10	BBGE	
OB(O)c1ccn(C[C@H]2COCCC2(F)F)n1	2003916464	MIEWVWWSWHMCGK-ZETCQYMHSA-N	246.022	-0.765	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CCC[C@H]2C1	2004933590	JOFVLEAYBGILGP-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@H]3C2)c(B(O)O)c1	2005016382	OJWYLTMHVIBUGA-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC[C@@H]1F	2006795507	SCQOSSNBMZCUJS-IUCAKERBSA-N	239.059	-0.517	50	10	BBGE	
NNC(=O)C1(COCCN2CCOCC2)CC1	2007035613	HVIVUKUOZRGXRH-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ncn(C)n1	2008806927	NWFHYBPJHAVDOI-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
CCOC(C)(C)Cn1cc(B(O)O)ccc1=O	2008839862	DEDCECGCNPYMGQ-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@]1(O)CCOC1	2013284920	STRJNWLKGKYQHU-NGZCFLSTSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CCCN2C)C1	2013599428	CEPVRARUEABGRZ-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)C12CCC2	2016078859	COGDOEOCLSBOAD-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCCC2=O)O1	2018242272	FQQHHMXKOVANNH-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
CO[C@H](CN(C)CC(=O)NNC(C)=O)C1CC1	2019210973	OVZKOIYLQUUCKR-SNVBAGLBSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020068026	NKZVAXJXIHLMTP-MRTMQBJTSA-N	239.080	-0.514	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ncc[nH]1	2021383768	CPXVXFWSXNCCOD-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCCc1cccc(B(O)O)c1	2058070289	ZXKWGRXRBZIUSG-CABZTGNLSA-N	247.103	-0.319	50	10	BBGE	
N#Cc1cc(C=O)cc(B(O)O)c1Cl	2060094058	KMNHYHWZJDRFIF-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])c(Cl)cc1B(O)O	2060106465	ZUSMJYPBVRZDBT-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
NNC(=O)CCn1c(=O)oc2ccccc2c1=O	2083036610	RVQYGTRFSQUPLX-UHFFFAOYSA-N	249.226	-0.665	50	10	BBGE	
CN1CCC[C@@H]1COCC1(C(=O)NN)CC1	2211854053	FVAVIFBZALJTLI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](OC[C@@]1(C)COCCO1)C(=O)NN	2211982301	HODSFFSRGSNFJZ-PSASIEDQSA-N	232.280	-0.423	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNc1ccc(B(O)O)cn1	2212604925	UUFCVZYHEGCRME-OIBJUYFYSA-N	224.044	-0.079	50	10	BBGE	
CN(CCCCO)Cc1cccc(B(O)O)c1	2214600637	VKOMCBUKFWABQT-UHFFFAOYSA-N	237.108	-0.429	50	10	BBGE	
COCC1(CNc2ccc(B(O)O)cn2)CC1	2217171376	BCEIQFPRHMNRHE-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1cc(B(O)O)ccn1	2217186451	KPLXCOKGYYFEII-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
OCC[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217195831	ABWYKMKNIYCWKR-WAAGHKOSSA-N	236.080	-0.666	50	10	BBGE	
CC1(C)C[C@H](CNc2cc(B(O)O)ccn2)O1	2217200686	VHPLWQPVOWDTTH-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1c1ccc(B(O)O)cn1	2217202498	KEXYHOXGUCTEAE-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
C[C@@](O)(CNc1ncccc1B(O)O)C1CC1	2217203826	AVMLRWFKRAJISL-LLVKDONJSA-N	236.080	-0.666	50	10	BBGE	
COCCN(CCF)c1cc(B(O)O)ccn1	2217204957	RDGJPXSGTVKSJT-UHFFFAOYSA-N	242.059	-0.816	50	10	BBGE	
CCC[C@H]1C[C@H]1Cn1cc(B(O)O)cnc1=O	2217411676	WUWGLBUWTCQGQK-IUCAKERBSA-N	236.080	-0.641	50	10	BBGE	
C=CCCCCCn1cc(B(O)O)cnc1=O	2217412673	MKZKIPCCUWGGOD-UHFFFAOYSA-N	236.080	-0.331	50	10	BBGE	
OB(O)c1cccc(F)c1OCCOCCF	2217457910	BIPHHTCZBZXJJD-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1C[C@@H](O)C1	2220074911	YMIRKPYACZDUQH-BJHJDKERSA-N	249.119	-0.431	50	10	BBGE	
OCCCC1CN(Cc2cccc(B(O)O)c2)C1	2222846465	LIYLYDRUWDNAAY-UHFFFAOYSA-N	249.119	-0.429	50	10	BBGE	
CC[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CN1	2223635645	ZVYOKRLZDJMXKS-MNOVXSKESA-N	249.123	-0.296	50	10	BBGE	
CCc1nn(C)cc1Nc1ccc(B(O)O)cn1	2223653634	SWEDNWWJEAOPHB-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
C=CCCNS(=O)(=O)CC(=C)B(O)O	2241480498	LMSPGVFZLZHQDJ-UHFFFAOYSA-N	219.071	-0.950	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1	2243347325	LOOULWKBBRHFQE-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@H](F)C1	2243356808	NBSJXOGKYZCYDI-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
CC[C@H](CO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382072	LFTGULHHYQHEQU-XHNCKOQMSA-N	229.085	-0.626	50	10	BBGE	
C[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243383289	WOMRJQRFZXYBNE-XSPKLOCKSA-N	227.069	-0.610	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NCCC#N)s1	2243383611	ZWIVGMOQBQCGRJ-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
O=C(C#CB(O)O)NC12CCC(F)(CC1)C2	2243398260	CNNBTJBSSHYMCX-UHFFFAOYSA-N	225.028	-0.457	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ncsc1B(O)O	2243398531	RBEVHQNWAWPTBN-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
CC(C)(F)[C@H]1CCN(C(=O)C#CB(O)O)C1	2243399003	IVNKDVOKQFOEMI-QMMMGPOBSA-N	227.044	-0.402	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2sccc2B(O)O)C1	2243407078	LCJVSRXTPDFTMM-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CCO2)C1	2243413146	AEDVQZWEYODAHE-UHFFFAOYSA-N	225.053	-0.759	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1F)C1CC(B(O)O)C1	2243414095	TWBSDGRHYUWSFB-GHNGIAPOSA-N	231.032	-0.908	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1ccncc1	2243414869	JMMMVIUGONYKBS-IUCAKERBSA-N	220.037	-0.093	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@H]1Cl	2243712033	CNHKAAIHCNHCSP-RNFRBKRXSA-N	240.455	-0.673	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1coc(B(O)O)c1	2247734593	SXBBGSYUCPXABB-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
CC(C)(NC(=O)c1ccoc1B(O)O)C1CC1	2247740468	LBRVVEISJVKVSC-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@@H]1NC(=O)C#CB(O)O	2247742578	QQJDUVHBOHMKHF-LPEHRKFASA-N	239.080	-0.678	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1C(=O)C1(B(O)O)CC1	2247756512	NKRWPAXXINPDHC-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
CN(C)CCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787335	NQZNUUHQDHUTFL-AOOOYVTPSA-N	242.128	-0.351	50	10	BBGE	
C#CCC1CN(C(=O)c2cc(B(O)O)cs2)C1	2247794510	SLZBZYIKRMQIJS-UHFFFAOYSA-N	249.100	-0.477	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)C1CC(B(O)O)C1	2247797845	NMMZCSYTCFZDOM-AMUVOQDHSA-N	243.112	-0.093	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCOC1	2247806589	GEMIDZCWFRDWAD-FXPVBKGRSA-N	241.096	-0.218	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](CCO)C1CCCC1	2247850293	MODOGDRJOLIMRB-JTQLQIEISA-N	239.080	-0.941	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccoc1B(O)O	2247869225	OCLJVMNSRLRFDP-BWVDBABLSA-N	235.048	-0.512	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2(CCC2)C1	2247871640	FLGMRROVLMFGDR-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cccc(B(O)O)c1C	2247873164	GBNNUWPNUAWHDP-QMMMGPOBSA-N	233.076	-0.021	50	10	BBGE	
O=C(N1C[C@H](O)[C@H](C2CC2)C1)C1(B(O)O)CC1	2247878795	NIGWJNHZVMMDFY-IUCAKERBSA-N	239.080	-0.777	50	10	BBGE	
CCC(CC)(CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894634	JAWLPLDPKACJPU-KYZUINATSA-N	242.128	-0.127	50	10	BBGE	
Cc1cnn(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247895103	OMNKUSQOVQXQDH-BDAKNGLRSA-N	237.068	-0.829	50	10	BBGE	
Cc1ccc(NC(=O)C[C@H](C)O)cc1B(O)O	2248443349	MYKGCNRSPXGMRD-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CC1(C)[C@H](C(=O)O)[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2248578504	RPOXKIKTYSVKAU-MVIOUDGNSA-N	241.052	-0.925	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248587844	VELBVKOVOSRRIQ-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
CCn1nnc(CN2CCC(B(O)O)CC2)n1	2249352152	AUTJNXAXNHMURS-UHFFFAOYSA-N	239.088	-0.868	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249614396	SJRKFWXNCISBDD-MMOIIXQKSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]1C1CCC1	2250006032	GSOWEYODIJKZKJ-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
CCC1(Oc2nc(C)ccc2B(O)O)COC1	2250791938	UABBTRKUIQGTCO-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(F)(F)C2(CC2)C1	2252609103	FDJNUBDESYDTHW-SSDOTTSWSA-N	249.261	-0.278	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1coc(B(O)O)c1	2255458140	NJAKJMJYQZJVLM-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)cc1F	2255499040	YRRIKOXCEURUFP-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@@H]1C1CCC1	2255552325	JPXFGKDRRATRMJ-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
CCc1nccnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2255685347	ZEWOAJZQLMNOAM-YUMQZZPRSA-N	249.079	-0.482	50	10	BBGE	
Nc1ccc(NC(=O)c2cc(B(O)O)co2)cc1	2258122537	DAYBNSYGMFAIFN-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1cc(B(O)O)co1	2258137721	ADSNFARUAXGNJG-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165082	BYBNXZGMFCWZFJ-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)OC1	2298368652	QHBIXKPNOPLCDV-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369024	GJJBVGJBNMASCX-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2CNC[C@@H]21	2298369806	GCPZSLUMSYPLEY-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)O	2298371916	ZJOXOZJFRSKKOE-SJQPAMGKSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2299588793	GHQJBJGHURHSIL-LPEHRKFASA-N	243.112	-0.141	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1C[C@@H]2N(C)C)C(=O)NN	2302403492	MALTVUUIOAPDAN-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
O=C(c1ccc(CO)o1)N1CC[C@@H](B(O)O)C1	2303101559	LAUCNWBHDKGKQQ-SSDOTTSWSA-N	239.036	-0.539	50	10	BBGE	
CNC(=O)C[C@@H]1CCCCN1[C@@H](C)C(=O)NN	2303943177	PAWKGTNPTZXPRV-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C=C[C@@H]1C2	2312847988	CPDURNRECYOTBH-RKDXNWHRSA-N	247.059	-0.250	50	10	BBGE	
NNC(=O)[C@@H](O)[C@H](N)CC1CCCCC1	33975561	OQKPABIJWCLLHX-BDAKNGLRSA-N	215.297	-0.365	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H]1CO	82470217	CBVTWSIVXKCNLH-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
NNC(=O)C(=O)NCc1cc(F)ccc1F	82599828	KNEQYGAXIVCJTC-UHFFFAOYSA-N	229.186	-0.429	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCCN1C	86190397	LZSVTRDAWVBJBA-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CCN1CCN([C@@H](C)[C@H](C)C(=O)NN)CC1	86313273	WBGMAIULSNZTMU-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](Sc1nnnn1C)[C@H](C)C(=O)NN	86313882	KVROKYMIXVLBFO-CRCLSJGQSA-N	230.297	-0.683	50	10	BBGE	
CCOCCN(C)[C@H](C)CC(=O)NN	87979998	OUQCFFHEFWKGKR-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CCCOCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	111111616	KSEBNBGMJMXMCT-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
CN(C)CCCCN1CC(=O)OC(=O)C1	111218141	GHZIMJMQRKUURY-UHFFFAOYSA-N	214.265	-0.286	50	10	BBGE	
CC[C@@H](Sc1ncnn1C)C(=O)NN	128062358	KNBQBTZETRXYBB-RXMQYKEDSA-N	215.282	-0.324	50	10	BBGE	
CCN(CC)C(=O)CCNC(=O)NN	163644762	YLCSWWABEPTIEY-UHFFFAOYSA-N	202.258	-0.582	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@H]1C	216471936	TVGRBXKVFNWQDE-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](N)C1	219255634	YUUBMGGCSILIEN-RKDXNWHRSA-N	214.313	-0.432	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H](C)C1	219256821	SWDYFUKXYTUSKH-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1Oc2ccccc2NC1=O	220743437	ODVJNUIHDLFCNA-SSDOTTSWSA-N	207.189	-0.624	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCO)C1CCC1	228569136	SVEBSCODFWUTFK-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)[C@@H]2CCO[C@@H]2C1(C)C	228935648	RXNGQEVZBUKOGK-VHSKPIJISA-N	227.308	-0.278	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1CCOC1	234555926	SSVSQTRUSUIJQU-RNFRBKRXSA-N	235.667	-0.081	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CCO1	251529348	AGQWJZLKRPUHMQ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
N#CC1=CC(CN2CCNCC2)=NS1(=O)=O	260025887	FHZYEFPHBGQAAX-UHFFFAOYSA-N	240.288	-0.917	50	10	BBGE	
CS(=O)(=O)N1CCC(C#N)(N=C=O)CC1	301030597	REPQGBOWOODIKH-UHFFFAOYSA-N	229.261	-0.360	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CN2CCN1CC2	306643696	XMUTYUKDVAVHQF-BDAKNGLRSA-N	231.727	-0.270	50	10	BBGE	
O=C(N/N=C/c1ncc[nH]1)c1cnccn1	309048140	WOFFPNQOMXSVMX-MKMNVTDBSA-N	216.204	-0.036	50	10	BBGE	
OB(O)c1cccc2c(-c3ccccn3)nnn12	310672260	INPOKVVXHMHDPL-UHFFFAOYSA-N	240.031	-0.529	50	10	BBGE	
Nc1cc(OC(F)(F)F)c(F)c(B(O)O)c1	321785460	ZTNOLWNSRDLKOH-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C)(O)C1	394982752	SSQJTKYAUBWAKI-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CNC(=O)NCCNC(=O)[C@H](C)Cl	397469696	XAIOVJKETDDJSP-YFKPBYRVSA-N	207.661	-0.341	50	10	BBGE	
C[C@H]1C[C@H](N=C=O)CN(S(=O)(=O)N(C)C)C1	398799421	AQVXGUUNOKBEDR-IUCAKERBSA-N	247.320	-0.161	50	10	BBGE	
CO[C@H]1CCCCN(CC(=O)NN)C1=O	399456769	ASNKHHQFVMQXKV-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CCF)CC1	402778634	MNQKCQABNLYPLP-SECBINFHSA-N	232.303	-0.658	50	10	BBGE	
Cc1ccc(NC(=O)NC2CC2)cc1B(O)O	405069755	AVEYVXGKJXVUGV-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cnc3cnccn23)C1	585074764	CNDFBPXCZLKNCN-SECBINFHSA-N	246.079	-0.222	50	10	BBGE	
NS(=O)(=O)N1CCCOC[C@@H]1Cl	616648488	OCUUSMLWTNNPGR-RXMQYKEDSA-N	214.674	-0.523	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689157081	CJMNOOJJKKJICU-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
N#CC1(O)CCN(c2ncncc2CO)CC1	692069859	RHULVQWQJALSHW-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
Cn1cc(N)c(C(=O)N2CCC(O)(C#N)CC2)n1	692114927	UKRAOEMITWAPSL-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
C/C(=C\Cl)Cn1ccc(B(O)O)n1	694230446	UCTQOGDEUVLIPJ-GQCTYLIASA-N	200.434	-0.295	50	10	BBGE	
C=CCOCCn1nc(C)c(B(O)O)c1C	694269303	LFZKKZXEYHQVHY-UHFFFAOYSA-N	224.069	-0.618	50	10	BBGE	
COC[C@@H](C)Oc1cc(B(O)O)ccc1OC	700786047	OUDJLMAHIKKQLB-MRVPVSSYSA-N	240.064	-0.211	50	10	BBGE	
O=C(CCl)N1CCOC[C@@H]1CCO	702193704	ZNTWGSQTNDCCEV-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
C[C@H](CN1CC[C@H](N2CCC2)C1)C(=O)NN	702300561	LZDIHWXFBCQCEA-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
O=C(NCB(O)O)N1CCCCCC1	706475691	JMHBLVAIQKIKHB-UHFFFAOYSA-N	200.047	-0.416	50	10	BBGE	
O=C(CCCl)N[C@H]1CCOC[C@H]1O	706712605	UOWKOGBHSKOZRX-NKWVEPMBSA-N	207.657	-0.119	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710473955	ATJLQATZZODGCB-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
Cn1nnc([C@@H](Cl)C(=O)N2CCOCC2)n1	711252693	ALUQECFPSKGRCW-ZCFIWIBFSA-N	245.670	-0.651	50	10	BBGE	
N#CC1(O)CCN(c2nccc(CO)n2)CC1	723311826	XGQYDGAETDKKHE-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
C[C@@H](CO)N(C)C1=C(C#N)[C@H](N)[N]S1	725568845	QEKALIOJLIXLFA-CAHLUQPWSA-N	213.286	-0.415	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C=C[C](Cl)S1	725598492	QSFCDSFROPAZLC-BYPYZUCNSA-N	220.466	-0.486	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)Cc1ccccn1	729396919	FACMFLURIOHOGH-MRVPVSSYSA-N	237.259	-0.194	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C#N)cn1C	751365800	XYTDEHDKRYVQMO-UHFFFAOYSA-N	206.205	-0.322	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cn(C)c(O)n1	831854102	NGZHAUBPHJVFQH-UHFFFAOYSA-N	241.251	-0.568	50	10	BBGE	
O=C(NNc1ccncn1)[C@@H]1[C@H]2COC[C@H]21	854748119	XMMVNZUWAVTESQ-QMSLJYSESA-N	220.232	-0.188	50	10	BBGE	
CCN(CCO)NC(=O)/C=C\Cn1cncn1	911443819	OFMWDVJBOJCVAA-ARJAWSKDSA-N	239.279	-0.820	50	10	BBGE	
CC(=O)NNC(=O)c1nnn(C(C)C)c1C	1117735164	COPCZZOTBUAAPE-UHFFFAOYSA-N	225.252	-0.052	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCn2cncc2C1	1290392304	UTYMVJDUTOFYJW-MRVPVSSYSA-N	222.248	-0.387	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn2c1CCCC2	1319508310	YZCJTEHOGXXYPL-UHFFFAOYSA-N	237.263	-0.207	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC1C[C@H]2C[C@@H]2C1	1328064399	YLSNORROJMZYOI-PHDIDXHHSA-N	241.247	-0.712	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1Cc2cccnc2C1	1346304783	CJUXQBKKAOPYBZ-QMMMGPOBSA-N	234.259	-0.243	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1ncccn1	1436865910	CWJANYRGAHDRHY-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)N(C)C)c1O	1583707762	DZBBHXPOUVGNAV-UHFFFAOYSA-N	227.224	-0.660	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1877380059	KUFZAXCYWOYPAI-RULNZFCNSA-N	239.724	-0.639	50	10	BBGE	
O=C1COCC(=O)N1C[C@@H]1C[C@@H]1Cl	1883563263	JQIKBRZPQBURNX-WDSKDSINSA-N	203.625	-0.001	50	10	BBGE	
N[C@H]1C[C@@H]1CNC(=O)/C=C/C(=O)Cl	1883647069	IDRBSJNLZSSHLA-GONBATFASA-N	202.641	-0.229	50	10	BBGE	
COCc1nnc(C=CB(O)O)s1	1884149377	FTPXDURRMUOCOJ-UHFFFAOYSA-N	200.028	-0.290	50	10	BBGE	
NNC(=O)c1nc(COCCF)ns1	1886032986	HRZXLZRHSMIGCK-UHFFFAOYSA-N	220.229	-0.372	50	10	BBGE	
CO[C@H](C)COC[C@H]1C[C@H]1C(=O)NN	1886077693	YBDCGXONIWCWDG-BWZBUEFSSA-N	202.254	-0.336	50	10	BBGE	
CN(C[C@]1(O)CCOC1)S(=O)(=O)CCl	1886701741	BCMQADSEVLIQHF-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
CO[C@H]1CC[C@H]1CC(=O)NNC(N)=O	1886968480	JCGNDRNOTMHGRD-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
C[C@H](COC[C@@H]1CCN1C)C(=O)NN	1888715139	YCJRVHCMMDDZMA-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CC(C)CN(C)C1CN(C(=O)NN)C1	1889330700	LTXBSHAQUZBVJJ-UHFFFAOYSA-N	200.286	-0.158	50	10	BBGE	
O=C(NC[C@]1(O)CCOC1)[C@H]1C[C@H]1Cl	1893474003	CZTRTRKGWYIKGS-LKEWCRSYSA-N	219.668	-0.119	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1894864936	DCFWGGLVVYGXOK-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H]1C[C@H]2CO	1895228980	JEBIUMCDXWREMY-AEJSXWLSSA-N	227.308	-0.398	50	10	BBGE	
CC=CCOc1ncc(B(O)O)c(OC)n1	1900868365	IHIXEOTUFDVZLL-UHFFFAOYSA-N	224.025	-0.880	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]1(C)CCNC1	1901376283	YKUKDPXWCZKZSJ-VIFPVBQESA-N	249.336	-0.701	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)CC1(O)CC1	1901664220	ABYDETCIIPORLB-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cc(OC2CC=CC2)ncc1F	1903025195	KJIUHGUQQVHWQN-UHFFFAOYSA-N	223.012	-0.002	50	10	BBGE	
N[C@H]1COCC[C@]1(NC1CC(Cl)C1)C(=O)O	1904186591	NBAAIHMWOAZDQV-LXKYZYTISA-N	248.710	-0.083	50	10	BBGE	
Cc1nc(C=CC(=O)NCB(O)O)cs1	1911738633	SUSKDNPHAJTPGX-UHFFFAOYSA-N	226.066	-0.407	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2[C@@H](C1=O)C2(C)C)C(=O)NN	1912236240	GJWZKZNAKNEEGJ-LYFYHCNISA-N	239.275	-0.747	50	10	BBGE	
CS(C)(=O)=NCc1cccc(B(O)O)c1	1913505706	SQDKWPSPDAYGTC-UHFFFAOYSA-N	227.094	-0.406	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N=S1(=O)CCC1	1913862970	QCXPJPSTMMFDOW-NKWVEPMBSA-N	219.310	-0.127	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@]23CCOC3)c1	1915577008	OUZZNLDOCQRMAS-CYBMUJFWSA-N	247.103	-0.269	50	10	BBGE	
CN(C)CCN(C)C[C@H]1C[C@@H]1C(=O)NN	1927914189	RIAYMYUNGNFHAR-BDAKNGLRSA-N	214.313	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1CO	1927918294	QVMGKMXQYBKHTI-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCN(C)C1CC1	1928247812	DGAIQVCOCQSXJS-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
COC[C@@H](C)N(C)CC1(C(=O)NN)CC1	1931260953	ZQAHCQQKBDOSEL-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)CC1CC1	1936513374	JEUAWPJRNOGKHC-UHFFFAOYSA-N	223.276	-0.501	50	10	BBGE	
NNC(=O)COCCOCC1CCOCC1	1936535459	SKJLGMKBOFOTFN-UHFFFAOYSA-N	232.280	-0.564	50	10	BBGE	
OC[C@@]12CC[C@]1(CO)CN(C[C@H](O)CCl)C2	1936636604	GETQLHJCSOSWBE-MXWKQRLJSA-N	249.738	-0.347	50	10	BBGE	
CN(CC(=O)NN)C1CCN(C2CC2)CC1	1936678551	DRUCSUTVFBTFDP-UHFFFAOYSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)CO1	1938245795	AOIROTONYQNNNG-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@@H]2C1=O)C(=O)NN	1940079613	AIUVQSTUMYFFSG-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]12COC[C@H]1C2	1941092157	GVIGKNGJQDZSHO-BTQIBKBOSA-N	239.319	-0.419	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093101	DZVVNGQHHRJRLX-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
O=C(NNCCO)[C@H]1OCCc2ccccc21	1944216450	WIMQTFBVPPPEBN-NSHDSACASA-N	236.271	-0.087	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1947203449	PPRZJDDWLNRGNU-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@]12CC[C@H]1C2	1951281625	YSERPKCIFDMERL-CPCISQLKSA-N	232.048	-0.500	50	10	BBGE	
COC(=O)c1cc([C@H](N)[C@H](O)C#N)cn1C	1952933711	HGGOOUALGIQVJC-BDAKNGLRSA-N	223.232	-0.304	50	10	BBGE	
CO[C@@H](CCO)CNC(=O)CBr	1953421390	WSWMZUCYLGJYCJ-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2CC(F)(C2)C1	1956051279	KSJJNNJBNZQZBV-PTNSZRNDSA-N	201.245	-0.201	50	10	BBGE	
CNC(=O)OC1CN(C[C@H](O)CCl)C1	1956260145	GJLNCMYYZXYNPB-ZCFIWIBFSA-N	222.672	-0.374	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]1CN(C)C	1958805372	RHDSPJUUZVGLKX-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CN1CCC([C@H](F)CO)CC1	1959590207	GDDMBRIDDOMNKT-MRVPVSSYSA-N	219.260	-0.981	50	10	BBGE	
NNC(=O)N1CC[C@](CO)(C(F)(F)F)C1	1960696050	SACFPHFYGNIEMX-LURJTMIESA-N	227.186	-0.184	50	10	BBGE	
COC1(CN(C)C[C@@H](C)C(=O)NN)CC1	1960731640	UGQPTWYZCLRIDE-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H]2C[C@H]21	1961509018	OFLZPTUZKAPDFM-IWSPIJDZSA-N	213.281	-0.382	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CCCO1	1961718436	OVQAGLOXSUZGAD-UHFFFAOYSA-N	228.444	-0.444	50	10	BBGE	
CCC(C)(C)N(C)c1ncncc1B(O)O	1981416620	QTWMSFQSVQHVEZ-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
O=C(NCc1sccc1B(O)O)[C@H]1C[C@H]1F	1982807231	CHFPYYPVIWGXGA-CAHLUQPWSA-N	243.068	-0.598	50	10	BBGE	
CC(C)Cn1cnc2c(B(O)O)ncnc21	1982865443	AJXNJABKDZFZEU-UHFFFAOYSA-N	220.041	-0.838	50	10	BBGE	
CC1(C)CC[C@H]1n1cc(B(O)O)ccc1=O	1984102416	UKQFCKSLRXBPPJ-SECBINFHSA-N	221.065	-0.111	50	10	BBGE	
C[C@@H](CN(C)C(=O)C(=O)NN)OC(C)(C)C	1989539042	NERWCTDEJWHDTF-ZETCQYMHSA-N	231.296	-0.362	50	10	BBGE	
Cc1nc(C(=O)NCC=CB(O)O)c(C)o1	1991334964	FWQZGSUKSMYNPY-UHFFFAOYSA-N	224.025	-0.411	50	10	BBGE	
C[C@H](O)[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648889	UVTIJNFUKNUUFH-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
NC[C@@H]1C[C@@H](CNC(=O)C=CC(=O)Cl)CO1	1991649253	ZGHJLRURPDIZET-YUMQZZPRSA-N	246.694	-0.212	50	10	BBGE	
C=C(CN(CCS(C)(=O)=O)C(C)C)B(O)O	1992145286	JWXPTKWJZIKCJC-UHFFFAOYSA-N	249.141	-0.690	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@H]2C[C@H]21	1992152791	ISKOZEMADJYXFM-IVZWLZJFSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(C(C)C)C1)B(O)O	1992158739	CTMMTFHNFNIGOJ-LLVKDONJSA-N	226.129	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSCCOC1CNC1	1993411852	ZSAKXFSVRLHSJM-APPZFPTMSA-N	245.348	-0.666	50	10	BBGE	
CC(C)(CN1C[C@]2(C)C[C@]2(CO)C1)C(=O)NN	2001047156	USERAYIBOOJLBG-NWDGAFQWSA-N	241.335	-0.293	50	10	BBGE	
CO[C@H]1CC(N2CC(=O)OC(=O)C2)C[C@@H]1OC	2001473594	BFEVXSMDCYHJPP-IUCAKERBSA-N	243.259	-0.436	50	10	BBGE	
O=C1CN([C@@H]2CCN(C3CCC3)C2)CC(=O)O1	2003605829	CYAKUTQUNGNXHE-SNVBAGLBSA-N	238.287	-0.001	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCC#N)CCC#N	2003736493	PBMMDRPAOZWRNU-VIFPVBQESA-N	239.279	-0.879	50	10	BBGE	
Cc1ccnc(O[C@@H]2COC[C@H]2C)c1B(O)O	2004925590	SCBFAVRXDOPJDE-RKDXNWHRSA-N	237.064	-0.516	50	10	BBGE	
CC[C@H](COC)Oc1nc(C)ccc1B(O)O	2004928979	HTXOCAIJZXLWQT-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CC[C@H](COC)Oc1nc(C)ncc1B(O)O	2004930566	USXMJTCAFFKFMF-MRVPVSSYSA-N	240.068	-0.731	50	10	BBGE	
Cc1nn(-c2ncccc2B(O)O)c(C)c1C	2004991923	XEWPOASUKPGHEK-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H](F)C[C@@H](F)C1	2011404999	DNZLGWGXHFFMNY-HTQZYQBOSA-N	242.034	-0.352	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012896883	FZBZEOHDPBQRJX-MVCUBJFGSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCC(=O)N(C)C	2014826370	VUBAPBSRGXEKKL-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(N)C[C@@H](CO)C2)CC1	2018339684	DEHFTJVSXPMAFN-KLPPZKSPSA-N	235.287	-0.232	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COC(C)(C)C1	2019209128	IYSBOAHIRQFSRL-SECBINFHSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COc1ccc(C(N)=O)cc1	2028045432	QZEUGONNQIAOGK-WCBMZHEXSA-N	249.270	-0.210	50	10	BBGE	
O=Cc1c(Cl)cc(F)cc1B(O)O	2060103141	QMQUZLHJLNLIJU-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@@H]1CCN1C	2066392774	NLMCLTPLTGWWNL-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	2079518419	HVIKOBNATOFBFD-UWVGGRQHSA-N	248.091	-0.008	50	10	BBGE	
O=C(N1CCc2cc(B(O)O)ccc21)C1(F)CC1	2085363619	JNNDKTLBTDWVTN-UHFFFAOYSA-N	249.050	-0.242	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1ccnnc1	2086140251	ZOUOXEAZZDUARD-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CN(C)C1CN(CC2(C(=O)NN)CCC2)C1	2212265670	JFLJTBSNXOSRQR-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
C[C@H](CC(F)F)Nc1ncc(B(O)O)cn1	2212602285	BJSJJRFGNZHNNJ-RXMQYKEDSA-N	231.011	-0.388	50	10	BBGE	
NCCC1(Oc2cc(B(O)O)ccn2)CC1	2212606564	WCLVDQWLPJICQE-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
C#CCN(c1ncccc1B(O)O)C1CC1	2212610235	FKKDNGIQRZQRMP-UHFFFAOYSA-N	216.049	-0.637	50	10	BBGE	
CC[C@](C)(N)COc1ncccc1B(O)O	2212612465	IZPGWFGQKZUDKI-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
C=C1CCN(c2cc(B(O)O)ccn2)CC1	2212615695	SSEATWDNESGQRB-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCCOCC1=O	2215775803	JBHHHELSQSGVCO-RKDXNWHRSA-N	241.291	-0.749	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C[C@@H]2C[C@@H]2C1	2216540902	STFKMUQZUPDOLG-DIYOJNKTSA-N	233.080	-0.609	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C[C@@H](C)CO)C1	2216704211	TZRDVKIQPIZVGG-MWLCHTKSSA-N	243.351	-0.049	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CCCC1	2216873346	XLAQHLINYJRPLE-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCO1	2217177613	KXLODJLHVRTODU-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCOC2)c1F	2217179484	LDGJLLRPAOFCNB-ZETCQYMHSA-N	240.043	-0.509	50	10	BBGE	
CNCC(C)(C)CNc1cc(B(O)O)ccn1	2217183662	MPFXWOKUQOXUGZ-UHFFFAOYSA-N	237.112	-0.581	50	10	BBGE	
OB(O)c1cnc(=NCCCCC(F)F)[nH]c1	2217184156	NMWXFIRUWYUMMV-UHFFFAOYSA-N	245.038	-0.574	50	10	BBGE	
CNCC(C)(C)COc1cc(B(O)O)ccn1	2217195382	JIZGFIUOPXSJDR-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
OB(O)c1cccnc1NCCC1CC(O)C1	2217198963	IQXBDUHUBJMLCN-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
COC1(CNc2ncc(B(O)O)cn2)CCC1	2217200015	HIFFMKNNHLYGAW-UHFFFAOYSA-N	237.068	-0.863	50	10	BBGE	
N[C@@H]1CN(Cc2cccc(B(O)O)c2)CC12CC2	2220071085	JDCNAMLVYNODGP-GFCCVEGCSA-N	246.119	-0.711	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2222844848	XAKIAXIQLFKUJA-BXKDBHETSA-N	248.091	-0.623	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)C[C@@H]1CN	2223636830	BFXOKIVFDFSYPU-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccnc(OC2([C@@H]3CCCN3)CC2)c1	2223663351	XXLLKXRUWDUCMC-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1ccc(NCC23CCN(CC2)C3)nc1	2223674874	SASXRWYMIGMDAV-UHFFFAOYSA-N	247.107	-0.731	50	10	BBGE	
O=C(N[C@H]1CCSC1)C1(B(O)O)CC1	2241473880	RRTLTHJSSPBFLZ-LURJTMIESA-N	215.083	-0.385	50	10	BBGE	
O=C1CN([C@H]2CC[C@H]3C[C@H]2CO3)CC(=O)O1	2242994504	FAUGRDYTFYDEME-CIUDSAMLSA-N	225.244	-0.061	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2243356724	MBXPNUUKBKODEY-ZETCQYMHSA-N	220.037	-1.000	50	10	BBGE	
N#CCC1(CNC(=O)C2(B(O)O)CC2)CC1	2243363784	MHYVGEDLCWTEEA-UHFFFAOYSA-N	222.053	-0.197	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C(=O)C1(B(O)O)CC1	2243365500	NLHCDGZGRXOSKV-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1C(=O)C1(B(O)O)CCC1	2243365800	SHHMMZYMTAVUNK-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N(O)C(C)C	2243381840	JLHZORAXTYLGAT-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
CN[C@@H](C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392935	YFKYAZFKLGYNAS-CIUDSAMLSA-N	228.101	-0.646	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCNCC1	2243397171	WXSMSAXREAKXLM-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)C1(B(O)O)CC1	2243397440	BFTNTCQKWWUVHC-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C1CC1	2243397493	CILDHESNPMRNLT-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
CC[C@H](C)NC(=O)c1ncccc1B(O)O	2243407687	XMDYWMPOZSPPND-ZETCQYMHSA-N	222.053	-0.710	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC(C)C	2243410135	VXEAYNWYCOWUTA-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]1CS2	2243414299	XWOVUHSRUIVHJZ-ABIFROTESA-N	241.121	-0.044	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1coc(B(O)O)c1	2247724547	ZOQSKNPFWSDBLM-KCJUWKMLSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1ccc(B(O)O)o1	2247740692	OBCMIXKEITXESA-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
CN(C)C[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)C1	2247753838	AEQOFZVOWDUOBI-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2247784818	BBNPSLAKVLGILO-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2247787689	SKSUOZZGGUFXGN-AXTSPUMRSA-N	240.112	-0.504	50	10	BBGE	
CC(C)[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247790037	FFFQXHRWUJSLST-AEJSXWLSSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CCN1	2247797875	NWSALMZFNYQOAX-NFTFJBJSSA-N	240.112	-0.504	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247798094	QCCULZFKBNFYEN-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)C1CC(B(O)O)C1	2247800952	VJNNEIPDVMZKHU-UHFFFAOYSA-N	237.068	-0.379	50	10	BBGE	
CC1(C)CNCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247805010	ADJHRXNJHHJOQJ-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)C(=O)C#CB(O)O	2247846807	MOBXRUXPZUFPOL-UWVGGRQHSA-N	239.080	-0.869	50	10	BBGE	
C/C=C/CNC(=O)c1nc(C)ccc1B(O)O	2247872210	OSELEQAVPFCWDT-ONEGZZNKSA-N	234.064	-0.624	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885144	GKEIUCLJDNNKOL-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247897506	UCGSQBATHFIBBE-DTWKUNHWSA-N	241.096	-0.218	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1C[C@H]1B(O)O	2247898917	IQPZZXRFDYHZON-SQXHDICFSA-N	238.096	-0.813	50	10	BBGE	
C[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586449	AZWVMDSDKNGVJG-BRDIYROLSA-N	241.052	-0.685	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@H]1C(F)F	2249239112	PPUGYIDOHMRZSZ-HTQZYQBOSA-N	245.034	-0.201	50	10	BBGE	
C[C@]1(CN2CCC(B(O)O)CC2)CCNC1=O	2249344630	AZJQIVVKBDSAFQ-LLVKDONJSA-N	240.112	-0.549	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1cocc1B(O)O	2249408144	DWZSJJZAIJICNM-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1coc(B(O)O)c1	2255449459	NKTWNQDAKOXQAQ-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CCCC2)n1	2255488014	XYIDEAXDYKFZHV-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(OC)cc1B(O)O	2255526212	PZCOLBQHDAPMRJ-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@@H](C)C2)c(B(O)O)c1	2255555404	AKTSCQPZWJXRNK-MRVPVSSYSA-N	248.091	-0.448	50	10	BBGE	
C#Cc1c(NC(=O)C2(B(O)O)CCC2)cnn1C	2255694566	PQTZFVAWTBBLGJ-UHFFFAOYSA-N	247.063	-0.263	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1cc(B(O)O)co1	2258129034	UMWKKGUSCJUSCS-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@H]1CO	2298167975	KTQDOEKNYZWVNM-ZNSHCXBVSA-N	241.335	-0.437	50	10	BBGE	
CC12CC(C1)[C@H](NC(=O)C1(B(O)O)CC1)CO2	2300511074	RHNGYRGBDVTMLE-CCNFQMFXSA-N	239.080	-0.323	50	10	BBGE	
C[C@H](N)CCNc1ccc(B(O)O)cc1C#N	2301346121	NLURHMOZEZUGCV-QMMMGPOBSA-N	233.080	-0.613	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2303771627	ZCSCXGRKPMYRTP-JGVFFNPUSA-N	241.096	-0.077	50	10	BBGE	
C#CCCCN(C)c1cc(B(O)O)c(F)cn1	2303834346	DORQYLJFDDBESO-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@H]1[C@H](O)C2	2306284681	ZCUAHNGEIOPDRW-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC=C[C@@H]1CF	2317150450	FRLVQGXVPYQJQS-LLVKDONJSA-N	246.050	-0.048	50	10	BBGE	
COC(=O)CCNc1ccc(B(O)O)cc1C#N	2317165768	OCIRNBGOILJTLE-UHFFFAOYSA-N	248.047	-0.787	50	10	BBGE	
O=C(NCCBr)[C@@H]1COCCO1	55302449	IVCVZOINIUBUFW-LURJTMIESA-N	238.081	-0.087	50	10	BBGE	
C[C@@H](Cc1ccccc1)NC(=O)C(=O)NN	62191509	OSEPIUCUXCVHKQ-QMMMGPOBSA-N	221.260	-0.276	50	10	BBGE	
CNCCN(C)Cc1cc(C(=O)NN)co1	69801833	IDKDPEJDUZZBKY-UHFFFAOYSA-N	226.280	-0.466	50	10	BBGE	
Cc1ncsc1CNC(=O)C(=O)NN	70838479	LSEUYBHRVXCYPB-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
CC(C)N(CCCO)[C@@H](C)C(=O)NN	82470866	WSTRPAPIUXJHHH-QMMMGPOBSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)CCCCSc1n[nH]c(N)n1	82472947	OUNCQACNJQXVKJ-UHFFFAOYSA-N	230.297	-0.361	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)C(C)(C)CCl	82511326	WSQNOABCKZXOTF-LURJTMIESA-N	237.683	-0.099	50	10	BBGE	
NNC(=O)CCCCn1nc2ccccn2c1=O	110597310	QCVQXHPLLLSCBY-UHFFFAOYSA-N	249.274	-0.344	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C1	159483433	LMZGMBAAXWYYTG-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H](C)N)B(O)O	170068268	MQFXWSJWILEPHS-NKWVEPMBSA-N	202.063	-0.979	50	10	BBGE	
Cn1cnn(Cc2cccc(C(=O)NN)c2)c1=O	211769828	XKZQIFJIHVFMQP-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](O)C1	216476759	ZPQMUYLOWHALDU-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CC(=O)N[C@@H]1CCN(C[C@@H](O)CCl)C1	228331351	HIUNFGYLHVXXEK-BDAKNGLRSA-N	220.700	-0.204	50	10	BBGE	
OB(O)c1cnc(-n2cccn2)c(Cl)c1	238654601	OZTIHHHTZWWDLY-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1N(C)C	251614581	DPXMACCNRGZEJH-VHSXEESVSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	251689928	WMBJVTCHNUPDHG-BBBLOLIVSA-N	240.307	-0.242	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](C)(CN)C1	306509325	BMEZSFSTHOUGJE-APPZFPTMSA-N	200.286	-0.965	50	10	BBGE	
NNc1c(CBr)cccc1B(O)O	307180068	NGIAYHKZDLBLPO-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
O=C(C#CBr)NNC(=O)C1CC1	307290367	ASQAYVQCWFIKFX-UHFFFAOYSA-N	231.049	-0.100	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCCl)CC(=O)N1	307593171	GTDZSJJXLVYPNI-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@@H]1C	310180292	SZLQHLODCVGTAV-IVZWLZJFSA-N	244.339	-0.984	50	10	BBGE	
CC(C)[C@H](NC(=O)C(=O)NN)C1CCC1	325162694	HFRFBSOFRNJXOA-QMMMGPOBSA-N	213.281	-0.083	50	10	BBGE	
NC(=S)NNC(=O)NCCCCF	379370931	GYFGHUHWDZYMOH-UHFFFAOYSA-N	208.262	-0.217	50	10	BBGE	
COC(=O)CSCC(C)=NNC(N)=O	383917848	GJFCSTHMQDDORZ-UHFFFAOYSA-N	219.266	-0.063	50	10	BBGE	
CC(C)(CCN1CCC[C@@H](O)C1)C(=O)NN	395599927	WFMWTRRDUKDJEA-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCCO)C1CC1	404250943	MVMZGADCKXHLDI-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CCNC(=O)Nc1cc(C)ccc1B(O)O	405075236	DBDSEISEPFUYGT-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
CN1CCN(C(=O)c2cnn[nH]2)C[C@H]1CCl	687598411	DJLSJRRFABZTTH-SSDOTTSWSA-N	243.698	-0.200	50	10	BBGE	
O=C1CN(C[C@]23COC[C@@H]2C3)CC(=O)O1	689259273	DWKYBRLHXBPWQA-OIBJUYFYSA-N	211.217	-0.592	50	10	BBGE	
CCOC(C)(C)C(=O)NNC(N)=S	700866398	RYYPGZVMVZIYGG-UHFFFAOYSA-N	205.283	-0.334	50	10	BBGE	
OB(O)c1ccn(CCOC2CCCC2)n1	701398162	KVVZYOBREARNJF-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
CN(N)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	704676738	UIGYZHVTHVCLCO-HZGVNTEJSA-N	229.305	-0.228	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@H]3C[C@H]32)c1	707089712	RRCSNYJGEFKIMQ-TVQRCGJNSA-N	247.103	-0.031	50	10	BBGE	
CCCCn1nc(C(=O)NNC)ccc1=O	707544629	OSIYVJOZCIQTBU-UHFFFAOYSA-N	224.264	-0.092	50	10	BBGE	
C#C[C@]1(O)CCN(C(=O)NC(=O)[C@H](C)Cl)C1	708105401	ZGCHXMKUPUTIGR-XVKPBYJWSA-N	244.678	-0.080	50	10	BBGE	
C[C@]1(CO)CCCN(CC(=O)NN)C1	708288461	XNBKYZUBYLQSLJ-VIFPVBQESA-N	201.270	-0.929	50	10	BBGE	
CN1C[C@H](CN2CCC(O)(C#N)CC2)OC1=O	709782860	OHHMWGKTUYNKEM-SECBINFHSA-N	239.275	-0.213	50	10	BBGE	
CC(C)[C@H]1COC[C@@H]1N(C)CC(=O)NN	710954874	SMCLWWUNWXKVOG-BDAKNGLRSA-N	215.297	-0.421	50	10	BBGE	
ClC[C@H]1CN(CCn2cnnn2)CCO1	712590667	DPMFBVMJVBGYLO-QMMMGPOBSA-N	231.687	-0.387	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccn(C)n1	723523556	KXZGWYDCTJRJNG-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
Cn1ccnc1C=NNC(=O)c1cnccn1	727255879	OPHSLIHQDXFZBB-UHFFFAOYSA-N	230.231	-0.026	50	10	BBGE	
CC[C@@H](C(=O)NN(C)CCOC)C(=O)OC	816562193	CAYPTEWJCMTMIN-QMMMGPOBSA-N	232.280	-0.205	50	10	BBGE	
CNC(=O)C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	902778937	JMDFPIVOFBPERD-FMCRUOTFSA-N	247.092	-0.416	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNC(=O)CC1CC1	908447523	GZFPNAKIMHSQCV-OWOJBTEDSA-N	249.274	-0.218	50	10	BBGE	
CN(NC(=O)C[C@@H]1CC(=O)N1)c1ccccn1	1335332529	XVHFZBMFSWJCMS-QMMMGPOBSA-N	234.259	-0.172	50	10	BBGE	
CC(=NNC(=O)c1cn[nH]c1)[C@@H]1COCCO1	1348410744	AJPUHJJRAKEUTQ-VIFPVBQESA-N	238.247	-0.069	50	10	BBGE	
CC[C@H](C)NC(=O)NNC(=O)c1cn(C)nn1	1350357167	APGXZZRFKPTTCV-LURJTMIESA-N	240.267	-0.442	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNC(=O)C(C)(C)C	1441529652	APUHNEYDBPKJFI-VOTSOKGWSA-N	241.291	-0.176	50	10	BBGE	
COCCN(C)NC(=O)CCCC(N)=O	1449376166	SRUMVKGCNNRSDS-UHFFFAOYSA-N	217.269	-0.749	50	10	BBGE	
COc1ccnc(NNC(=O)CCC(N)=O)n1	1595605559	NWHGAGPWCZJTJD-UHFFFAOYSA-N	239.235	-0.806	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2c(O)nnc2O)CC1	1630799789	WHJQRAKGRTWVCD-UHFFFAOYSA-N	249.230	-0.628	50	10	BBGE	
O=C1C[C@H](NC[C@@H]2C[C@H]2Br)C(=O)N1	1877373530	GLQORKRERWPZSL-JKUQZMGJSA-N	247.092	-0.226	50	10	BBGE	
O[C@H]1[C@@H](CF)N(CCBr)C[C@H]1O	1878012041	OGBZUOQCEITXDO-QYNIQEEDSA-N	242.088	-0.243	50	10	BBGE	
O=C(Cn1cncn1)NCC#CCCl	1884824474	CEYRUNFKJUSCOX-UHFFFAOYSA-N	212.640	-0.364	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](F)C1	1885916985	QSZOZCPRANAUDZ-LYFYHCNISA-N	207.224	-0.253	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)CC(=O)NN)O1	1892624066	YTRUENZPAQJHKK-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@@H]1CN2CCC1CC2	1900892850	MUGPKYPJBPUZFI-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
C=C[C@]12C[C@H](CCN1C(=O)C#CB(O)O)C2	1904771772	GNROACFWZBZEDE-JGZJWPJOSA-N	219.049	-0.431	50	10	BBGE	
NC(=O)C1(O)CN(C(=O)CCCCCl)C1	1915237300	DBIDTJYUHLZMJG-UHFFFAOYSA-N	234.683	-0.546	50	10	BBGE	
NNC(=O)c1cc(CN2CC(F)C2)on1	1917251774	LASWUDIJGLATDV-UHFFFAOYSA-N	214.200	-0.568	50	10	BBGE	
CO[C@H](C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927913099	FNGHTHCCAMMSBC-HRDYMLBCSA-N	215.297	-0.421	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC(C)(C)O	1927914637	WNDKETPHIOHBGT-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)COCCN1CCC=C(Cl)C1	1928178845	JTUOZKZSNSZJML-UHFFFAOYSA-N	233.699	-0.179	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C(F)(F)C1	1931821346	FRDPVGHWMVVVKN-RITPCOANSA-N	223.223	-0.933	50	10	BBGE	
COC[C@@H](NC(=O)CCCCl)C(N)=O	1932166578	VCOJRFOMGKSEIC-ZCFIWIBFSA-N	222.672	-0.378	50	10	BBGE	
C[C@]1(C(=O)NCB(O)O)C[C@H]1C(F)(F)F	1935093302	OWJRHEPSJDMUSS-XINAWCOVSA-N	224.975	-0.297	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F	1936156314	FPWIFOALLLGXBA-FSDSQADBSA-N	233.023	-0.204	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCC[C@H]2C1	1936525515	GOVYEEUQVKPCJS-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1	1937202853	JUPIGDBBISLXGU-SQXHDICFSA-N	244.722	-0.084	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCOC1(C)C	1938962148	ULKAROGQCDSUAX-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941074646	TYMIVIIAJODHFH-GMTAPVOTSA-N	240.351	-0.504	50	10	BBGE	
CCN1CCCN(CCOCC(=O)NN)CC1	1941772822	NZSZPBKKJKKORG-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1C(=O)NC	1942614075	UTYBAVOXWHBLBX-DJLDLDEBSA-N	242.323	-0.789	50	10	BBGE	
CCCc1noc(CCC(=O)NNCCO)n1	1944214403	UZLDJEDDUFNULX-UHFFFAOYSA-N	242.279	-0.432	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnnn1C	1950439298	PXSRPSJVTMUSGD-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
O=C1CN(CCCl)CCN1CCO	1954037461	WGJCMSSEBHSYIG-UHFFFAOYSA-N	206.673	-0.638	50	10	BBGE	
C=C(CCl)CN1CC(=O)NC(=O)C1	1954822065	JGTDNBQSNGDSRM-UHFFFAOYSA-N	202.641	-0.260	50	10	BBGE	
O=C1CN(CCCCCl)CC(=O)N1	1954822535	QFTOYRQURVFPFT-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1957837370	WBGDSDIVQKJDAI-APPZFPTMSA-N	219.260	-0.839	50	10	BBGE	
CSCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1958881345	NXLSPRGHDCANLP-RKDXNWHRSA-N	229.349	-0.093	50	10	BBGE	
N#CC1CN(c2nc(CCl)nc(=N)[nH]2)C1	1960077111	HVWQAXNNASZQBK-UHFFFAOYSA-N	224.655	-0.017	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)CCN1C1CC1	1961296303	LPDFHVQUAJEKSC-VIFPVBQESA-N	232.711	-0.107	50	10	BBGE	
Cn1cc(S(=O)(=O)NCC#CCCl)cn1	1974770965	PVGMQOAHQRURCA-UHFFFAOYSA-N	247.707	-0.059	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C=C[C@H]1C2)C(=O)NN	1976838064	HUKDDBLDTOBFFP-YUMQZZPRSA-N	223.276	-0.211	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CC2(CC2)CO1	1979380437	VIOGTZJXIVXVDV-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2CC[C@@H](O)C[C@@H]21	1979577275	KDLPGSCEFGOEOA-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@]2(CCOC2)C1	1981046124	QFKHFESFQJGBPQ-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CCCN(c2ncccc2B(O)O)C1	1981423915	LDZVTAMNSNCSSY-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCC[C@H]1CO	1981554947	VUCUAZHFVCNBRQ-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)c1sncc1CN1CC[C@@H](O)C1	1981730261	MSHUPMYHLBASAK-SSDOTTSWSA-N	242.304	-0.687	50	10	BBGE	
CC1(CO)CN(CCC(F)(F)C(=O)NN)C1	1984132004	MACTYULJYHWYOI-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCn2cnnc2C1	1991651369	HXRXQRGIJWGGKE-UHFFFAOYSA-N	240.650	-0.058	50	10	BBGE	
CC1(C)[C@H](O)CN1CCC(F)(F)C(=O)NN	1993464229	MGIUKLSUCMEIFH-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1995925331	DTXBLDPJVIHGDF-KOLCDFICSA-N	247.314	-0.203	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21)C(=O)NN	2005810305	XOAWHBBPBJOPJC-BGZDPUMWSA-N	237.303	-0.131	50	10	BBGE	
OB(O)c1ccc(OCc2cncnc2)cc1	2009008353	LKQYNJFAAISGDS-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)O[C@H](CCO)C1	2009334130	FCUMKNRBDIEZKW-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCNCC1(C)C	2018197927	CPVXFQYDTVAXAR-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCC3(CC3)CO2)c1	2025107049	TVQFUMAJZITBFX-SNVBAGLBSA-N	236.080	-0.478	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2C[C@@]2(C)C1	2050241650	BAYGNEGUBWIIEP-UFBFGSQYSA-N	249.318	-0.135	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(c2ccccc2)C1	2057647788	JBDBPIXFSBHUFQ-LLVKDONJSA-N	249.314	-0.042	50	10	BBGE	
Cc1cnccc1Cn1cc(B(O)O)ccc1=O	2058155574	NIHLDKNGNZWGJZ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
COc1nc(N2C[C@H]3C[C@@H](C2)C3)ncc1B(O)O	2077867270	CYPJWDIWKDAISW-OCAPTIKFSA-N	249.079	-0.989	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]1C1CC1	2079010557	QIDXFNVTZLCRDL-LBPRGKRZSA-N	245.087	-0.009	50	10	BBGE	
O=C(Cc1cc[nH]n1)N1CCC(B(O)O)CC1	2208629418	OKSGARQBJRBHJJ-UHFFFAOYSA-N	237.068	-0.582	50	10	BBGE	
C#C[C@@H](Nc1ncccc1B(O)O)C(C)C	2212601628	QPYKYLPIINZSGN-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
CCNC[C@@H](C)Oc1ncccc1B(O)O	2212601739	SEHXHKJMJVFSLO-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1ccnc(N2CC=C[C@@H]2CF)c1	2212603083	MTIZPQOBKWZMGS-SECBINFHSA-N	222.028	-0.524	50	10	BBGE	
CO[C@H](C)CNc1nccc(B(O)O)c1F	2212603819	JCFNUBAKBDZFRN-ZCFIWIBFSA-N	228.032	-0.653	50	10	BBGE	
C=CC[C@@H](N)COc1ncccc1B(O)O	2212605168	YWQRKSFQHZUDGN-MRVPVSSYSA-N	222.053	-0.956	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(B(O)O)cn1	2212608413	JBOUSEXQBVSUDC-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
C#CC[C@@H](C)Oc1nccc(B(O)O)c1F	2212613769	PYHYXCKUFCWYDY-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
CON1CCN(CC2(C(=O)NN)CCC2)CC1	2216491287	SRRUZBCDWYDCOR-UHFFFAOYSA-N	242.323	-0.674	50	10	BBGE	
NNC(=O)C1(CN2CCOCCC2=O)CCC1	2216493744	LCEMZOQQKRVKTG-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)nc1	2216612684	MRUZJMKUOMBFKP-GZMMTYOYSA-N	236.055	-0.300	50	10	BBGE	
NCC1(Oc2ncccc2B(O)O)CCCC1	2217171976	HQKIFMNZVBGWFF-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)C(C)(C)CN	2217173633	PUBVHQQVWGLUFZ-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
Cc1cnc(CNc2ccc(B(O)O)cn2)[nH]1	2217177118	FTUWDMFZEWOJGW-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@]23CCOC3)c1	2217195441	KDQQKUADIUZKMW-MWLCHTKSSA-N	234.064	-0.648	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CC(CF)C1	2217202029	UCNJXCGRPHAQME-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1ocnc1CNc1ccc(B(O)O)cn1	2217202553	KXICPFCPJMKZMM-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CNC[C@@H]1CCCCN1c1ncccc1B(O)O	2223632620	MGZXOPLBASWHOR-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(c2ccc(B(O)O)cn2)C1	2223639778	GRAQNMDKMLQRMK-VHSXEESVSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2C[C@@H]3C[C@@H]3CO2)nc1	2223643140	SBHVPBZWXMFZFR-NGZCFLSTSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@H]2CN)cc1B(O)O	2223643446	VVEBDRDZCQSOSI-ONGXEEELSA-N	249.123	-0.391	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@@]3(O)C2)cc1B(O)O	2223648081	GYIBKAWQAYZIBR-BXKDBHETSA-N	248.091	-0.969	50	10	BBGE	
C[C@H](CF)N(C)C(=O)C1(B(O)O)CC1	2241733551	ATYCVTNCBDGXEA-ZCFIWIBFSA-N	203.022	-0.190	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(O)(CCO)C1	2241809691	VFUGOOTZVSVWTO-NKWVEPMBSA-N	219.668	-0.431	50	10	BBGE	
NCC#CC(=O)N[C@H]1C[C@H](Br)C1	2242411540	RAIWCONRYXCDEU-LJGSYFOKSA-N	231.093	-0.009	50	10	BBGE	
CC(C)CONC(=O)c1ccc(B(O)O)s1	2243348974	CTPRFSLLICIIQO-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)C#CB(O)O)CC1	2243350348	ZSEKXEGBEJUQDD-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CCC1(NC(=O)c2occc2B(O)O)CC1	2243363451	GVSMVOBHTPMLBE-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CCN1	2243364684	AVDDUSLEWGQKIF-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)[C@@H](C)O1	2243366055	WUELYPOZIUAHGE-PRJMDXOYSA-N	227.069	-0.325	50	10	BBGE	
COC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243380994	BSVBRRYDPMUGFR-OCAPTIKFSA-N	227.069	-0.513	50	10	BBGE	
CC1(C#N)CCN(C(=O)C#CB(O)O)CC1	2243398204	BTEVTBSBBAFNSU-UHFFFAOYSA-N	220.037	-0.846	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@]1(C)CC1(F)F	2243398587	FJOZGMAAKPQGFL-XPUUQOCRSA-N	231.007	-0.448	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)o1	2243398689	GUTHPLZMTCIZQE-WDSKDSINSA-N	221.021	-0.902	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243404545	PZMVILWUABHQTJ-DJLDLDEBSA-N	228.101	-0.661	50	10	BBGE	
C#CCN(CC)C(=O)c1occc1B(O)O	2243411162	PBNICCYGHSUAFG-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243426336	GWOVTBPOLWCYGQ-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)s1	2244151736	XUHXPQKPJIGUMI-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)[C@@H]1C	2244215851	GVBSEMKMKHLXQF-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
Cc1nc(OCCOC(F)F)ccc1B(O)O	2246679395	DXTKRASVTRXSIA-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
COC[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2247724545	ZOLDUSWLNJYNNG-ZCFIWIBFSA-N	241.052	-0.967	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C[C@@H]2C1	2247742624	RMJLWADCWHFSMF-JGVFFNPUSA-N	235.048	-0.559	50	10	BBGE	
O=C(C#CB(O)O)N(C[C@H]1CCOC1)C1CC1	2247743652	HAOPHYUKZHTSBN-SECBINFHSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCOC2(CCC2)C1	2247744519	UIWUXSNWSLAGFS-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
CN(C[C@]12C[C@H](CO1)C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2247806649	ODTVOSWIXWROGM-REIXXSIJSA-N	239.080	-0.513	50	10	BBGE	
CCN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810063	UKAMVQCJIZMWHH-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CC2(CC(F)C2)C1	2247846413	GILQWLLSOMKHRM-UHFFFAOYSA-N	239.055	-0.259	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC12CCOCC2	2247849812	FSZIBXCCKHIWSR-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@@H]2C)c1	2247854034	WHQDVIMDSAJTMS-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
O=C(NCc1ncccn1)C1CC(B(O)O)C1	2247893855	ZNVNOMNGWONFLD-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
NCCCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895917	VXUNKIJTDOSAGR-MGCOHNPYSA-N	240.112	-0.563	50	10	BBGE	
COC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897449	SJVUQKYYSUXDCE-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CC(CO)C2)C1	2247897821	XFDIIPFOGQZNRC-IUCAKERBSA-N	239.080	-0.920	50	10	BBGE	
O=C(NCCF)c1cc(F)c(B(O)O)cc1F	2247942321	SSFZSXQLRHQOAW-UHFFFAOYSA-N	246.981	-0.656	50	10	BBGE	
COc1c(F)cc(NC(=O)C(=O)NN)cc1F	2248118501	UCTBUUZJKJHZOI-UHFFFAOYSA-N	245.185	-0.098	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ccnc(B(O)O)c1	2248443183	ZGSIQSKFVVZMSX-QMMMGPOBSA-N	232.048	-0.641	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@@H](C)CO	2248443254	XVYZLDHOKSAHOO-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2248577667	NPURMXXSVJRISV-FXQIFTODSA-N	243.068	-0.837	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)C2(B(O)O)CC2)C1	2248586425	AUSNOQCLUCPEJL-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
C[C@H]1C[C@]1(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588090	YRWZKRMGPGQYEE-QUBYGPBYSA-N	241.052	-0.637	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C=CCCC2)n1	2249273131	APOONHYHSTUSNN-VIFPVBQESA-N	234.064	-0.048	50	10	BBGE	
CCCC1(Oc2ncccc2B(O)O)COC1	2250790453	OIJQTBYIVLYRHA-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1O[C@H]2CC[C@H]1C2	2254467631	OSHXKCIDWZCWGU-QWRGUYRKSA-N	247.059	-0.325	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1coc(B(O)O)c1	2255457276	AGQVHKBNTCZNJF-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2ncccc2C1	2255572600	ZUUHPJHXMLNHRW-UWVGGRQHSA-N	246.075	-0.171	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cc(C)c(B(O)O)o1	2255573908	TVAMBVVBCAPWBP-VIFPVBQESA-N	249.075	-0.200	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H](C2CC2)C1	2255728402	FWZGHKRYIOGHPB-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
C=CC(C)(C)NC(=O)c1nc(C)ccc1B(O)O	2255729366	UNAQDDPHHXTXQD-UHFFFAOYSA-N	248.091	-0.236	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2C=CCC2)c(B(O)O)c1	2255790318	WEGXJALXEXRNHV-SECBINFHSA-N	246.075	-0.482	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1c[nH]nc1B(O)O	2255790796	DGURMCYSJCWPBW-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C[C@H]1C[C@@H]1C(=O)NN	2298004441	GAWFNHVCGMKDLJ-KNDBQHFLSA-N	239.319	-0.542	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H](C2)[C@H]1CO	2298370193	RGFNPQDTCSJQCQ-JDDHQFAOSA-N	239.080	-0.779	50	10	BBGE	
COC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298370372	XGXQTXLJICHNTH-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2298376667	HSSOIAHJWABBDT-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C1CC1	2298376931	YAPICVHXORNGQY-FXBDTBDDSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H]1C[C@H]1B(O)O	2298377452	RTHWQQORZAKWPR-CHHOWFRJSA-N	238.096	-0.894	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2299034740	GYHFLLNGMGGZRT-MWLCHTKSSA-N	241.335	-0.029	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)C1(CO)CC1	2300371053	MIPILUMGDHUXSM-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CCC1(O)CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300375250	VUCCULKJDYVYTP-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)OC1CC(n2cncn2)C1	2300920780	JSZZCIBSKAMAMP-UEJVZZJDSA-N	239.279	-0.233	50	10	BBGE	
COc1cc(C(=O)N2CC[C@H](B(O)O)C2)on1	2303102837	ARWOPPDTGPGEKW-LURJTMIESA-N	240.024	-0.628	50	10	BBGE	
CC[C@@](C)(Cn1cc(C(N)=O)cn1)C(=O)NN	2303431945	OOVUQEZMDRFZJZ-JTQLQIEISA-N	239.279	-0.612	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3ccc(B(O)O)o3)[C@@H]1C2	2312848247	ZWBODMQKEAODKW-SXMVTHIZSA-N	249.075	-0.122	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C1CCNCC1	82470785	OASSBDVXXIHEMX-VIFPVBQESA-N	228.340	-0.314	50	10	BBGE	
CCCc1nnsc1C(=O)NNC(N)=S	83590942	SSKFBQHVSMMHAW-UHFFFAOYSA-N	245.333	-0.031	50	10	BBGE	
NNC(=O)CCCn1nc2ccccn2c1=O	110597288	HKRZQKGYPVYDMJ-UHFFFAOYSA-N	235.247	-0.734	50	10	BBGE	
CCCCCOCC(=O)NNC(=O)CN(C)C	113425467	VSPJJTNXLAJJLB-UHFFFAOYSA-N	245.323	-0.098	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C[C@H](Cl)C#N	139546907	OCPZSUAPQVAFSH-ZCFIWIBFSA-N	229.667	-0.146	50	10	BBGE	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N=C=O	157726173	GHMOGFZNMYKXQR-ZETCQYMHSA-N	248.260	-0.406	50	10	BBGE	
C[C@@H](CO)N(C)S(=O)(=O)CBr	159649362	VAYHYADQZOHPHJ-YFKPBYRVSA-N	246.126	-0.019	50	10	BBGE	
O=C1O[C@H](CCl)[C@@H]2[C@H](O)[C@@H](O)CN12	221931878	PFDBLPDEHWWDQS-SLPGGIOYSA-N	207.613	-0.850	50	10	BBGE	
C[C@@H]1CN(C)CCN1CCCC(=O)NN	235473055	PJFLVNZWILMVLP-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@H](Oc1ccccc1CCO)C(=O)NN	235570725	AUCIXZZUGDWZMD-QMMMGPOBSA-N	224.260	-0.021	50	10	BBGE	
Cc1cnn(CCCCC(=O)NN)c(=O)c1	235801235	YVBMPNYUKGMBNS-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(O)c(O)c1	236236571	DOCXMQDRTXGUKI-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
O=C(O)C(=O)C(=O)N1CCSSCC1	306420040	WSEYQWHFEKLCAE-UHFFFAOYSA-N	235.286	-0.136	50	10	BBGE	
COC(=O)[C@@H]1N[C@@H]2C[C@@H](Cl)CC[C@H]2NC1=O	385858196	VXCXDHPZFMYVAE-LXGUWJNJSA-N	246.694	-0.224	50	10	BBGE	
C[C@@H](CCl)CN1CC[C@](O)(C(N)=O)C1	389212143	IWXNONHSANCWLX-IONNQARKSA-N	220.700	-0.217	50	10	BBGE	
O=C(O)Cc1nc2c(B(O)O)cccc2o1	396093891	IGLNRQXUEAZZPW-UHFFFAOYSA-N	220.977	-0.865	50	10	BBGE	
CCC(=O)c1cccc(C(=O)O)c1B(O)O	396131890	GDMLLOFWBAWIHE-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
N#CCCc1ccc(/C=C\C(=O)O)c(B(O)O)c1	396137309	BZLYJWDRDODOBM-WAYWQWQTSA-N	245.043	-0.080	50	10	BBGE	
O=Cc1c(B(O)O)sc2c(CO)cccc12	396330904	CUHZKUSFJHLOLW-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CN(CCCC(F)(F)F)C(=O)C(=O)NN	402473079	DESILTKWKHCKBG-UHFFFAOYSA-N	227.186	-0.223	50	10	BBGE	
C[S@@](=O)Nc1ccc(B(O)O)c(F)c1	404927930	KUFKAJLDUAPRSJ-CQSZACIVSA-N	217.030	-0.789	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1[C@H]2COC[C@H]21	405009253	OXMXEKAHZBAVPS-URLYPYJESA-N	247.059	-0.803	50	10	BBGE	
C[S@](=O)Nc1ccc(Cl)c(B(O)O)c1	405020753	GXWKTANBMINIPR-AWEZNQCLSA-N	233.485	-0.275	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Cl	575458914	FISDTJDFTMXBSG-RFZPGFLSSA-N	227.669	-0.253	50	10	BBGE	
C=CC[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1	584985827	SFDYRAVSQSAKRR-NSHDSACASA-N	249.075	-0.967	50	10	BBGE	
CC(=O)c1c([N+](=O)[O-])csc1B(O)O	687762663	WVHVZNJHNNQBAW-UHFFFAOYSA-N	214.995	-0.461	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1	691936923	MVBDOGGJKMGEAD-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H]3C[C@H]32)n1	706984531	PIAMRHKLRJIPRU-POYBYMJQSA-N	222.248	-0.128	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(n2ccnc2)C1	707389926	YDFABVXCVHBHGA-DTWKUNHWSA-N	237.307	-0.246	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CSC[C@@H]2C1	711524021	DCWRAFORFYNAHL-CSMHCCOUSA-N	215.322	-0.340	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)N1CCc2cccc(B(O)O)c21	712200445	DEXKKYZYGCKDOG-WPRPVWTQSA-N	245.087	-0.089	50	10	BBGE	
Cl[C@@H]1COCC[C@H]1NCCn1cnnn1	712594238	NYRWWZWENAXECH-HTQZYQBOSA-N	231.687	-0.341	50	10	BBGE	
CN(C)C[C@H](CCl)NCc1nnn(C)n1	716735546	RHXUBBAQICZVHQ-ZETCQYMHSA-N	232.719	-0.531	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723698392	ZQJMZFWBLIIAJE-AXFHLTTASA-N	240.351	-0.221	50	10	BBGE	
COC(=O)c1cc(C(=O)NNC(C)=O)no1	798272401	QKJNUFDSOKBYIR-UHFFFAOYSA-N	227.176	-0.758	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NN(C)C[C@@H](C)O	822557587	MRVXNNDBFIOZLV-BWZBUEFSSA-N	202.254	-0.635	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCN(C)C2)n1C	856047858	HBMMXSBFIVIHSM-MRVPVSSYSA-N	238.295	-0.482	50	10	BBGE	
Cc1cn(C(C)(C)C(=O)NNC(=O)CO)cn1	897312899	PHEFMWFSVJZQJT-UHFFFAOYSA-N	240.263	-0.934	50	10	BBGE	
O=C(CO)NN=Cc1cnn(CCF)c1	905458694	LPECNXHNFIPONU-UHFFFAOYSA-N	214.200	-0.705	50	10	BBGE	
C[C@@H](NNC(=O)[C@H](O)C(C)(C)O)C(F)(F)F	912898552	LTPRKXOBPIZPHC-UHNVWZDZSA-N	244.213	-0.310	50	10	BBGE	
O=C(NNC(=O)c1cnc[nH]1)c1ncccn1	1299514350	FZQUKFDHUQMPDZ-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)NC2CC2)C1	1442293669	MZAFKWYPMGCJKE-UHFFFAOYSA-N	211.221	-0.542	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NN=c1cc[nH]cc1	1466786325	QRRIFRQHBVEKNL-ONEGZZNKSA-N	234.259	-0.409	50	10	BBGE	
CNNC(=O)CN(O)C(=O)OC(C)(C)C	1879945250	MSXXPZDETZLJGD-UHFFFAOYSA-N	219.241	-0.137	50	10	BBGE	
NC(=O)[C@@H](N)C[C@H]1C[C@@H]1Br	1880113044	RKOSKHLGUNOZPG-WISUUJSJSA-N	207.071	-0.028	50	10	BBGE	
NC(=O)CNC(=O)[C@H]1C[C@H]1Br	1880433218	CXLOMTTZITWUGR-IUYQGCFVSA-N	221.054	-0.629	50	10	BBGE	
CCOCCSCCOCC(=O)NN	1886274875	NFVBYHROZBXIDJ-UHFFFAOYSA-N	222.310	-0.237	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@@H]2Br)[nH]c1=N	1892898909	WLQFVBQDDCOPII-UHNVWZDZSA-N	246.112	-0.155	50	10	BBGE	
COCCN1C[C@@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1897145100	BGRSBSPXSGCAMU-LNFKQOIKSA-N	248.754	-0.105	50	10	BBGE	
C[C@H](COC[C@H]1COCCCO1)C(=O)NN	1901434722	AFZPBKCFXXZGAY-RKDXNWHRSA-N	232.280	-0.566	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2CCC[C@H]2C1=O	1905542497	XJLGURLUDVQKMX-BWZBUEFSSA-N	239.275	-0.460	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)CC(C)(C)C(=O)NN	1907703823	GSWKHGSORRYVBJ-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914395350	BUQDUPMARCFSKN-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
CC1(C)C[C@H](O)CN(CC2(C(=O)NN)CC2)C1	1923163542	HWELNQNQVMFYHQ-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CN(C)NC(=O)CN1CCC(CN)CC1	1923353533	UDGPEZMYOWLJKB-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1927910758	IZODRPXLSKWOQP-PRJMDXOYSA-N	211.265	-0.519	50	10	BBGE	
O=C(NCB(O)O)c1csc2cncn12	1927958576	FKWVFDMQCJXDJN-UHFFFAOYSA-N	225.038	-0.862	50	10	BBGE	
OC[C@H]1C[C@H](CO)N(CCOCCCl)C1	1928368455	ULHSCLSFIVLOGF-VHSXEESVSA-N	237.727	-0.083	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCCO1	1928674793	DLSOIDLJJZCCDP-QMMMGPOBSA-N	217.269	-0.591	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]1CO	1929740881	NHXKVSHOVMGYLQ-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
CC[C@@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930891074	XYENOJFICIPRPK-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)[C@H](C)Cl	1931197240	YTMOQKAMMGBGSJ-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
COc1ccc(C(=O)NNCCO)s1	1931865540	BLEITCBQMXGGML-UHFFFAOYSA-N	216.262	-0.017	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(CCO)C1	1932107319	CWNBHVVWXFTSPW-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
O=C(NC[C@H]1COC[C@H]1Cl)c1cnn[nH]1	1933388876	IUANOFADKPCEGF-NTSWFWBYSA-N	230.655	-0.212	50	10	BBGE	
Cn1nnnc1[C@@H]1CS(=O)(=O)C[C@H]1Cl	1934445127	BTHUSORMKRLTOX-RFZPGFLSSA-N	236.684	-0.671	50	10	BBGE	
CN1CC(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1936084401	NBBKZTKCKPBYAH-UWVGGRQHSA-N	226.324	-0.894	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(O)CCNC2)CC1	1937399871	SJKVDGGDUTWTPI-NSHDSACASA-N	225.292	-0.939	50	10	BBGE	
C[C@H](CN1C[C@H](C2CC2)[C@@H](O)C1)C(=O)NN	1937476952	FKVOQTSHVALDKY-QNSHHTMESA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1COCCO1	1939103587	YBLSTYMILVWXFP-IWSPIJDZSA-N	230.264	-0.956	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H](CO)C1	1941095417	WYOVVHUZWANEQZ-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CCOCC(=O)NN	1941774290	HNMMWKWFNAEXQI-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CN(CCOCC(=O)NN)CCN(C)C1CC1	1941991208	HZYHKORLUJMFJA-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](O)(COC)C1	1946479992	YZPLPTITBLVUMW-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NCC(Cl)Cl	1953765907	DSECDQVZGFFKHA-NQXXGFSBSA-N	215.080	-0.386	50	10	BBGE	
C[C@@H](CN1CC2(F)CC1C2)C(=O)NN	1956496587	CGTOYZPRVXIIDH-PTNSZRNDSA-N	201.245	-0.201	50	10	BBGE	
CN1CC[C@@H]2CCN(CC(=O)NN)C[C@H]21	1958179287	VNTWVJVSQRDQSM-RKDXNWHRSA-N	212.297	-0.998	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NN)CC1(C)C	1962493435	QYKGMMBBXMWYMS-QMMMGPOBSA-N	215.297	-0.419	50	10	BBGE	
CC[C@@H](COC)N(C)[C@@H](COC)C(=O)NN	1979240528	DIESDROMSNVBRI-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2C[C@@]2(O)C1	1980975712	AEHZADSBGGGFMN-WYOJIJJFSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1csc(OCC2CCOCC2)n1	1981421516	AVPAGDMGLOZSQJ-UHFFFAOYSA-N	243.093	-0.372	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)C1(C)C	1983207189	PERSOIPFRUXPLN-UHFFFAOYSA-N	227.264	-0.793	50	10	BBGE	
Cc1nc(C)n(CCC(F)(F)C(=O)NN)n1	1984128543	QHCJQLJDWSQOFY-UHFFFAOYSA-N	233.222	-0.090	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC=C[C@H]1CO	1985649628	ZKEIWGRNEAGXQZ-VHSXEESVSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)CCOC1CC(n2cncn2)C1	1986220773	CWUGHLKIRRVUFB-UHFFFAOYSA-N	225.252	-0.622	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987561650	BHCWODGWJXMPLL-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
CC1CC(COc2ncc(B(O)O)cn2)C1	1989574970	ZPHCIEQUJRNFMV-UHFFFAOYSA-N	222.053	-0.419	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CCOC1	1991327430	QEBPKSYEDGNREG-VXNVDRBHSA-N	225.053	-0.760	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1COCC1(F)F	1991600548	BJENOAXREIAZLQ-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@@](O)(CO)C1	1991651075	QYTJRARDFRXLNL-JTQLQIEISA-N	247.678	-0.346	50	10	BBGE	
C=C(CN1C[C@@H](SC)[C@H](N(C)C)C1)B(O)O	1992152556	GQJFVDKZPFOVDD-NXEZZACHSA-N	244.169	-0.468	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncncc1B(O)O	1993077415	SEQVDHQMLAISSR-JGVFFNPUSA-N	222.053	-0.419	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CSC3CNC3)(C1)C2	1993881776	NIAHDYIRTSOWHI-MGCOHNPYSA-N	243.332	-0.770	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)CC(C)(C)C(=O)NN	1997354084	VYZSMVDRGZHVTM-DTORHVGOSA-N	247.339	-0.934	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1[C@@H](C)CC(=O)NN	2003620066	XZWDOJHGDWIHQP-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CCN([C@@H](C)[C@H](C)C(=O)NN)[C@@H]1CCNC1=O	2004314547	RBSFRWYQRSWUFG-XHNCKOQMSA-N	242.323	-0.789	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Oc1ccc(B(O)O)cn1	2004950268	CXXWGBNTDUATCP-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
Cc1cc(N2CC[C@@H](CF)C2)ncc1B(O)O	2005014683	OTEPNDNRUBWBRZ-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2O	2008730259	JKBCDJIKMCBWHL-QCLAVDOMSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H](CN1CCCC[C@@H]1CC(N)=O)C(=O)NN	2011912926	PDNORUJBGMKQBS-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)[C@@H]1C1CC1	2014008151	XBPXCGAPORAXPE-DBIOUOCHSA-N	239.319	-0.542	50	10	BBGE	
Cc1ncnc(C)c1Cn1cc(B(O)O)cn1	2014165089	FVVNLHMTSPTIDN-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
Cc1nn(C)c(C)c1CN(C)[C@@H](C)C(=O)NN	2014383765	ZSPODIKSQLGWIK-VIFPVBQESA-N	239.323	-0.153	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)C12CC2	2016055451	MPYNLYKGYISUEP-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
C=CC1(O)CN(Cc2occc2C(=O)NN)C1	2018883434	KFIKQGWOPHKCSW-UHFFFAOYSA-N	237.259	-0.384	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCCC1(F)F	2020348434	JIQOVCYLGVSDLF-ZETCQYMHSA-N	244.006	-0.277	50	10	BBGE	
C=C(CN1CCC(n2ccnn2)CC1)B(O)O	2021157782	QSAGKGWUCOOWRR-UHFFFAOYSA-N	236.084	-0.517	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@@H]2C[C@H]21	2022196216	JBKAOKMDUPTJTP-LDYMZIIASA-N	231.060	-0.399	50	10	BBGE	
NNC(=O)CCN1Cc2ccccc2[C@H](CO)C1	2056058635	YKRXSGHKQYHRIG-NSHDSACASA-N	249.314	-0.042	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC(C1CC1)C1CC1	2058156151	ORVQFMUVIHDLSM-UHFFFAOYSA-N	247.103	-0.036	50	10	BBGE	
CCOc1cc(OC)cc(OC)c1B(O)O	2060052831	LNVWMIOZKHTJGY-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
Cc1cc([N+](=O)[O-])cc(B(O)O)c1C#N	2060305112	CZAUKTSBRYRLNX-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CO[C@@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1	2079008083	DPYSUIZFYCZCEH-GHMZBOCLSA-N	249.075	-0.726	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)COC[C@@H]2C1	2211712335	FWXYUKXIXNUUCX-BDAKNGLRSA-N	243.694	-0.340	50	10	BBGE	
C[C@H](CCO)CNc1cc(B(O)O)ccn1	2212602416	DCKGJOXXHUSYTL-MRVPVSSYSA-N	224.069	-0.808	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)CCOC1	2212605818	KMXZCALIQZNMEX-JTQLQIEISA-N	223.037	-0.681	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1cc(B(O)O)ccn1	2212610650	MMXHXCUJNVENDJ-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
CC1=CCCN(c2ncccc2B(O)O)C1	2212611225	XGUXVZWWTZXKJQ-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC(C)(F)CCN=c1ccc(B(O)O)c[nH]1	2212614975	JEZJZHQZTFRREK-UHFFFAOYSA-N	226.060	-0.267	50	10	BBGE	
CCN(C)CCNc1ncccc1B(O)O	2212615781	UVFZKZNMAPWNHY-UHFFFAOYSA-N	223.085	-0.875	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC[C@@H]1C(F)(F)F	2212876421	FPIYETLNJMOUQJ-BQBZGAKWSA-N	248.997	-0.294	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC(OC(F)F)C1	2215771719	JNXNHIIBGHRXOC-HTRCEHHLSA-N	249.261	-0.074	50	10	BBGE	
C[C@H](O)CN(CC1(C(=O)NN)CCC1)C1CC1	2216493411	FNRPGAWZUGTPSQ-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCNCC1	2217174220	XMLFSMURPWUQMI-SECBINFHSA-N	235.096	-0.685	50	10	BBGE	
Cc1cnc(N2CC(C3CC3)C2)cc1B(O)O	2217183578	LZKDANDZRFGBOI-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
CC1(C)C[C@H](Oc2ncccc2B(O)O)CN1	2217185986	FARJXUPALCHIDF-QMMMGPOBSA-N	236.080	-0.719	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2CCN2C)cc1B(O)O	2223649294	WODYFSKMKPBQRP-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@]23CCCOC3)c1	2223678772	HTWNWLKDPOASKI-CMPLNLGQSA-N	248.091	-0.258	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1c1ccc(B(O)O)cn1	2223680055	YBSCVSGVJMWSNR-ZJUUUORDSA-N	249.123	-0.804	50	10	BBGE	
O=C(NCB(O)O)NC1CCSCC1	2241337769	AAWFRVYVKKOMNE-UHFFFAOYSA-N	218.087	-0.807	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)[C@H](O)CC1	2241589168	MFHDFLUYPVLZBX-KNVOCYPGSA-N	207.657	-0.431	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCC12CC2	2243356463	IFBIFAXPKJLMRA-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2243356751	MKQIKBHFHKACHX-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1occc1B(O)O	2243364788	CDGXMILIPUMVPV-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
C=C1CON(C(=O)c2cc(B(O)O)cs2)C1	2243378428	STCWDVAXLHJYCS-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
CNC[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243398144	NIAZQAAHXYQEPR-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243400619	FCXBZPORBKEDRU-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C1(CO)CC1	2243409832	PRGVTSYHOHMBRG-SSDOTTSWSA-N	227.069	-0.729	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1occc1B(O)O	2243411494	UVZZXEFDQHNQLB-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
O=C(Nc1nccc(F)n1)[C@@H]1C[C@@H]1B(O)O	2243427400	UZBAEWJUUWDDCY-UHNVWZDZSA-N	224.988	-0.583	50	10	BBGE	
Nc1cc(F)c(F)cc1C(=O)NCB(O)O	2244511295	IHGIDKISZMKOCB-UHFFFAOYSA-N	229.979	-0.711	50	10	BBGE	
CN(CCCN)c1cc(B(O)O)c(Cl)cn1	2245912485	AQNCJPUXXRPKKC-UHFFFAOYSA-N	243.503	-0.800	50	10	BBGE	
CN(C[C@@]12CC[C@@H](CO1)C2)C(=O)C#CB(O)O	2247742891	VTIWLMWCCUKNMW-KOLCDFICSA-N	237.064	-0.971	50	10	BBGE	
COCC[C@H](C)NC(=O)c1occc1B(O)O	2247753085	BFQYAARDIJXSLG-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(N1C[C@@H]2CCO[C@H]2C1)C1(B(O)O)CCC1	2247753591	BAPCVPSXUBJBGC-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247759231	YYLYIKGZUJOIPB-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC[C@@H]1O	2247786204	XMTVOSXCOIOZCE-QCBRBAQYSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1O	2247791829	OZPHMHHTDRAGOU-KZVJFYERSA-N	241.096	-0.485	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCN1C	2247805942	LIZJEAFDDKZJEU-DOLQZWNJSA-N	240.112	-0.552	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2247809856	RSRRCLFAGPYNAF-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@H]1CCO	2247848296	JXPOSMHZPWVGCO-VHSXEESVSA-N	239.080	-0.941	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247852961	DCBZVUQMXCBHOE-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)NCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247854250	ZMTHDARLBOEVAB-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
CC1(CNC(=O)c2cncc(B(O)O)c2)CC1	2247869881	ZZWGCGREAICCTL-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
CC12CC(CNC(=O)C3(B(O)O)CC3)(CO1)C2	2247872572	UXCPVDJJLBIJRZ-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247886384	BDVPHOIKEWRBSO-PRJMDXOYSA-N	241.052	-0.987	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCO1	2247893958	AQMCNHCJXAJGTQ-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCC[C@@H](O)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247894945	MLIRIQJCSNDXNL-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)cc1CC	2248395045	GJUBXNDKDOJBCK-UHFFFAOYSA-N	231.060	-0.109	50	10	BBGE	
CC[C@H](C)[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248591486	PWKJULJRKHNZIT-JGVFFNPUSA-N	241.052	-0.993	50	10	BBGE	
C[C@H](CF)N(C)CCn1cc(C(=O)NN)nn1	2249274274	JJQIHRCQBKOCCW-SSDOTTSWSA-N	244.274	-0.829	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NCCC#CB(O)O)CO1	2250001270	UOIFCQXQFHEBTP-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
C=CC1CN(C(=O)c2cccc(B(O)O)c2)C1	2251660766	YJKGXDAAOHFGTQ-UHFFFAOYSA-N	231.060	-0.376	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@H]2N1c1ncc(B(O)O)cn1	2254255741	BCVBSGTXORELAI-FXPVBKGRSA-N	247.107	-0.076	50	10	BBGE	
CC12COC(COc3ccc(B(O)O)cn3)(C1)C2	2254930361	BINODFRPRLOHBN-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@]2(C)C1	2255444158	IPLPEVZUTKGOCU-QPUJVOFHSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2255468831	HJFFOFLIRKCNAO-XCWAXFADSA-N	249.075	-0.266	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C=CCC2)n1	2255483930	HGSPZAUVBZAQTI-VIFPVBQESA-N	246.075	-0.482	50	10	BBGE	
Cc1ccc(C(=O)N[C@H](C)CC#N)c(B(O)O)c1	2255513004	JKKHZBSVZWFNCL-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC(C2CC2)C1	2255514244	FZDJRCPZTAXHAX-UHFFFAOYSA-N	246.075	-0.757	50	10	BBGE	
C=C(C)CCCNC(=O)c1ncccc1B(O)O	2255514327	HHDKOZWEXLVILA-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ncccc1B(O)O	2255516608	NWYPDOHREMUDRS-NQMVMOMDSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCC[C@@H]2C[C@@H]21	2255533117	YDNZOTKRUZCYHN-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)c1ccccc1	2255550966	QLTJRUNHXKEALD-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
O=C(NCc1nccn1C1CC1)[C@H]1C[C@@H]1B(O)O	2255571007	LKZYGJDONGSVLX-IUCAKERBSA-N	249.079	-0.303	50	10	BBGE	
O=C(NCCC1CC=CC1)c1cc(B(O)O)c[nH]1	2255669234	LMJYBWHKLNBPLC-UHFFFAOYSA-N	248.091	-0.219	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)c1coc(B(O)O)c1	2255728991	OPVNKKZQJGWVLA-LALMQGGXSA-N	247.059	-0.656	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1n[nH]cc1B(O)O	2255763956	UFLLLOIKVJQXQE-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2cc(B(O)O)co2)C1	2258126538	GBOZVPAMIZUWEC-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1cocc1B(O)O	2258138123	GAMOVZJDJVGTFV-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N[C@@H]1C=CCC1	2258667627	JTTHARCCNQJWKW-SECBINFHSA-N	247.063	-0.399	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2298369548	YDSHWMGQXAZRBR-XGEHTFHBSA-N	241.096	-0.221	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCOC1	2298371281	GEMIDZCWFRDWAD-KKZNHRDASA-N	241.096	-0.218	50	10	BBGE	
CC1(C)[C@@H](N)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375335	GCRPUAZTHSUROA-HXFLIBJXSA-N	240.112	-0.661	50	10	BBGE	
O=C(O)[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463420	BZHIAKNOUHCCLI-RULNZFCNSA-N	241.052	-0.781	50	10	BBGE	
COCCCNc1ccc(B(O)O)cc1C#N	2301339972	YYCGKFPWOVHBQT-UHFFFAOYSA-N	234.064	-0.314	50	10	BBGE	
CC1(C)CC(=O)N[C@H]1CN1CC[C@@H](B(O)O)C1	2303133316	KJKFLPBOMDGJLX-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
CC[C@](C)(Cn1cc(C)cnc1=O)C(=O)NN	2303432742	VYUYZDPMLYTUND-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H](C)O)c(F)c1B(O)O	2307568335	AUCNBHMJCWULLG-ZCFIWIBFSA-N	241.027	-0.867	50	10	BBGE	
CN(C)c1nnc(SCC(=O)NN)s1	82580254	MYLVSNFCNQYBIL-UHFFFAOYSA-N	233.322	-0.314	50	10	BBGE	
CN(C)NC(=O)c1csc(CCN)n1	147278464	BKRRCLZUFCLRRX-UHFFFAOYSA-N	214.294	-0.149	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C(=O)O)C(C)C	162378574	LPCGNODNINQWHT-MRVPVSSYSA-N	248.304	-0.004	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCCO)C(C)C	232420131	UBNKQWLQGSLAAW-VIFPVBQESA-N	233.312	-0.916	50	10	BBGE	
NC(=O)NN[C@H]1Cc2ccccc2[C@H]1O	238591049	OKBNDQDGFGWITD-DTWKUNHWSA-N	207.233	-0.182	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C=[SH]CC1	252586238	OJIZCIGICNLJEI-UHFFFAOYSA-N	237.089	-0.953	50	10	BBGE	
CCN(CCOC)[C@H](C)[C@H](C)C(=O)NN	252596964	ISPDGYKQVSFNQM-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
CCN(C[C@@H]1CCCO1)[C@H](COC)C(=O)NN	300022099	ZDEVWEVQEOPCRD-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)[C@H](C)C(=O)NN)C1	300046135	QPGCKFGVXISTGP-XHNCKOQMSA-N	215.297	-0.278	50	10	BBGE	
CCO[C@H](CNC(=O)NN(C)C)CC(=O)O	300959601	HZWBPUCOPHWZQF-ZETCQYMHSA-N	233.268	-0.358	50	10	BBGE	
NNC(=O)CN1CCC[C@H](CO)CC1	307199811	BOVNGKGOUOMSPX-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nncn1C	309230002	SRUUIFPBIITOJL-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
COCCOc1cc(B(O)O)ccc1OC	309527793	CBGIBMQOJYGYQC-UHFFFAOYSA-N	226.037	-0.600	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(CN(C)C)C1	382340348	KBEOFPFFTLDLJP-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
O=c1c2ccc(B(O)O)cc2cnn1CC1CC1	383822163	JAGVXXGYUGSQTK-UHFFFAOYSA-N	244.059	-0.514	50	10	BBGE	
CC(C)C1(O)CN(CC(C)(C)C(=O)NN)C1	384013958	WNJFQGNJLONLNP-UHFFFAOYSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(=O)N[C@H](C)C1	387020393	ORELLLYUJSOIOX-RITPCOANSA-N	247.682	-0.330	50	10	BBGE	
NC(=O)NN=C1C(=O)Oc2ccccc21	389435254	BUYKWVBADJQFFT-UHFFFAOYSA-N	205.173	-0.022	50	10	BBGE	
CC[C@@]1(O)CCCC(=NNC(N)=O)[C@H]1O	389517615	XLBAMGWFSVVUOJ-VXNVDRBHSA-N	215.253	-0.303	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@@H](C)CCC(=O)NN)C1	398499697	XELBOHRZKXEVST-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CN1C[C@H](C)C[C@@H](CO)C1)C(=O)NN	398793366	GKRKRBPPUAPVMA-KXUCPTDWSA-N	229.324	-0.437	50	10	BBGE	
CN1CCN(S(C)(=O)=O)C[C@H]1CCl	687613319	NQXJDMXVNWRALD-SSDOTTSWSA-N	226.729	-0.199	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCSC[C@H]1CCO	689852570	VSYRUTTYHRQOKZ-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccc1C	690066190	LVWCRVNNEKVOMU-MWLCHTKSSA-N	249.075	-0.352	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]2COC[C@@H]21	690721715	VTJVXPSRUDBYHL-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN1CC[C@](C)(C#N)C1)C(=O)NN	693997555	MUXRUXMCTXUYSD-PSASIEDQSA-N	210.281	-0.152	50	10	BBGE	
C[C@@H](C(=O)NCB(O)O)n1cnc2ccccc21	701967770	YVSYOIVWKQLGEK-QMMMGPOBSA-N	247.063	-0.275	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)CC1(C)COC1	702961733	XHMCERXCYOAKIH-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
CN1C[C@H]2CN(CCCCC(=O)NN)C[C@@H]2C1	706305940	CTQGSIOZDRVMHE-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
Cn1nnnc1CN[C@H]1CCOC[C@@H]1Cl	706757168	ZHCRVKBNGOGOLO-BQBZGAKWSA-N	231.687	-0.304	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CCC[C@@H]1O	708050024	DEJMAEYTELUWHM-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
O=C(COC1CC1)NCc1cccc(B(O)O)c1	716966704	UBHVYZLMIFSHNY-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
O=c1cc[nH]c(CNS(=O)(=O)CCl)c1	725701378	LSLLRKQHXCFMFA-UHFFFAOYSA-N	236.680	-0.009	50	10	BBGE	
CN(C)C(=O)C1(C(=O)NN=c2cc[nH]cc2)CC1	807211771	XDLVGEDTGCMLNC-UHFFFAOYSA-N	248.286	-0.185	50	10	BBGE	
Cc1c[nH]nc1C=NNC(=O)[C@H]1COCCO1	814860947	MORJTBQTNPSOTK-SECBINFHSA-N	238.247	-0.416	50	10	BBGE	
COCCN(C)NC(=O)Cn1ccnc1	846122762	OQZZVZVBNYHKQX-UHFFFAOYSA-N	212.253	-0.508	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)c1cc[nH]n1	855355293	VKVMZUYGJYMKBX-UHFFFAOYSA-N	212.184	-0.327	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NNC(C)=O	905067986	SIXIJBCXJCYGGD-UIISKDMLSA-N	200.238	-0.175	50	10	BBGE	
O=C(NNc1ncc(F)cn1)[C@@]1(O)CCOC1	1295147283	PIHZDJFXWRBBQZ-SECBINFHSA-N	242.210	-0.790	50	10	BBGE	
CN(NC(=O)c1ccn(C)c(=O)c1)C(N)=O	1295201400	MLBZJYRXEGTFAT-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
C=CCONC(=O)c1cc(B(O)O)ccc1F	1569151022	VHGTUHAAABHDBJ-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
O=C(O)CNC(=O)[C@H]1C[C@H]1Br	1880433374	FOEURMUKMMNKOP-IUYQGCFVSA-N	222.038	-0.029	50	10	BBGE	
O=C1NCC[C@H]1CNS(=O)(=O)CCl	1883493789	JDVNPBFAJQEPME-YFKPBYRVSA-N	226.685	-0.762	50	10	BBGE	
O=C1NC(=NC[C@@H]2C[C@@H]2Br)NC1=O	1883528998	FZATXFVHWUTDAW-IMJSIDKUSA-N	246.064	-0.628	50	10	BBGE	
NC[C@H]1CCN1C(=O)/C=C/C(=O)Cl	1883648032	USMKFKHSWGVVBH-UGQQDIOTSA-N	202.641	-0.132	50	10	BBGE	
C[C@H](COC(F)(F)C(=O)NN)N(C)C	1884724790	HMMJHJXIGAAZGF-RXMQYKEDSA-N	211.212	-0.464	50	10	BBGE	
C[C@@H](S)C(=O)NN(C)S(C)(=O)=O	1888553801	CISROKDLAQQGLV-SCSAIBSYSA-N	212.296	-0.773	50	10	BBGE	
C[C@@H]1NCC(=O)N(C[C@H]2C[C@@H]2Cl)C1=O	1893106253	DVXVPZGWADXRIC-XVMARJQXSA-N	216.668	-0.039	50	10	BBGE	
NC(=O)[C@@H]1CN(CCCCl)C[C@H]1C(N)=O	1894015996	FGXBNXHBKPHNQR-RNFRBKRXSA-N	233.699	-0.866	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1894058146	WQCOKLQTUWZIIB-XGEHTFHBSA-N	213.281	-0.790	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)[C@@H]1C[C@@H]1F	1895381886	NICXHVFXVUNQBZ-RQJHMYQMSA-N	243.068	-0.598	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2CCO[C@@H]2C1	1896177993	HKYHKWNXCMTCNC-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(N(C)C)C1	1901762288	LBGFGQXKZDPMQY-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cc(=NCC2CSC2)[nH]cc1F	1903008928	CMQNASAGMKISCL-UHFFFAOYSA-N	242.084	-0.903	50	10	BBGE	
Cc1nc(CCN2CC[C@H](B(O)O)C2)n[nH]1	1904771154	XDNHUZDMRNANIR-QMMMGPOBSA-N	224.073	-0.796	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]1(C)CCO	1904864854	HAXBHINSVIJDBR-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1C(NC(=O)c2ccc(B(O)O)cc2)[C@@H]1C	1910488677	DRCWGIOIEYREGH-HTQZYQBOSA-N	233.076	-0.249	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@@H](C)C(=O)NN	1913434780	MYQKCLJIUDKPRX-SSDOTTSWSA-N	237.325	-0.718	50	10	BBGE	
C[C@@H](CN1CC[C@@](F)(CO)C1)C(=O)NN	1917088592	VRWVCGZZWBHZSG-CBAPKCEASA-N	219.260	-0.981	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@H](C)C(=O)NN	1918072422	PGTQYMWXHHIJJP-ZIDLFYJRSA-N	237.325	-0.643	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCOCC1	1928156473	FXSLQBBYGHPZEA-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
C[C@H]1CCC(=O)N1CC1(C(=O)NN)CC1	1931268565	IFXRZDJXSJIPIF-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1F	1932373960	ZWQKMBSOTOMGKC-XGEHTFHBSA-N	215.272	-0.098	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(CCO2)C1	1932813206	XSQQOKPQEIAMHO-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
O=C(NNCCO)c1cnn(C2CC2)c1	1933227980	WNGJWROQHQAEPV-UHFFFAOYSA-N	210.237	-0.555	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](c2nnnn2C)C1	1935168588	BHTVELBTZCCPHP-WDSKDSINSA-N	201.661	-0.154	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)Cn1cnnc1	1937144343	BLFADMUOFKUUBX-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2COC[C@H]2CCl)n1	1937177746	SQVBTIFRPODHCD-PHDIDXHHSA-N	245.670	-0.806	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1939641257	MNMKSISFCOCGLF-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CCC(=O)[C@@H]2C1	1944397521	IPMBAKPMFGMEOQ-RKDXNWHRSA-N	239.275	-0.935	50	10	BBGE	
C[C@H]1CCCN(CC2(C(=O)NN)CC2)[C@@H]1CO	1945884255	NHXMMZBIOZYICY-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1945895172	YRDZXZVVRXOFQF-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CCCN(CCOCC(=O)NN)[C@H]1C	1949587032	AIRJOVGQKNPIIJ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H](CCS(C)(=O)=O)C[C@H](O)C#N	1951418091	AEFSOERTJPCUQS-YUMQZZPRSA-N	221.278	-0.289	50	10	BBGE	
NC(=O)C1CN(CCBr)C1	1953191155	SWDWHLITKSZFFK-UHFFFAOYSA-N	207.071	-0.202	50	10	BBGE	
O=C(N[C@H]1C[C@H]1CCl)[C@H]1CCS1(=O)=O	1955099076	AZJACJGSLZZAKP-LYFYHCNISA-N	237.708	-0.083	50	10	BBGE	
CCOC(=O)c1ncc(C(=O)NN)s1	1955326575	LMLDHPFTEGRNHQ-UHFFFAOYSA-N	215.234	-0.077	50	10	BBGE	
CN(C(=O)NN)C1(CO)CCSCC1	1956857398	BHJZECNFVFGAPV-UHFFFAOYSA-N	219.310	-0.240	50	10	BBGE	
COC[C@]12CN(CC(=O)NN)C[C@]1(C)C2	1960279484	ZYQLGBNASYNDJS-UWVGGRQHSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CCOC2)C1	1961459785	FFVSQXZEPPVNAF-JTQLQIEISA-N	213.281	-0.521	50	10	BBGE	
CC(C)CN(C)c1ncncc1B(O)O	1961690775	KQCHYXGBIZUCTF-UHFFFAOYSA-N	209.058	-0.751	50	10	BBGE	
Cc1nc([C@@H]2CCN2CCC(=O)NN)no1	1976768848	UHTILWRAOJAHFP-ZETCQYMHSA-N	225.252	-0.495	50	10	BBGE	
C=C(CCl)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1	1978819195	ZEUYOOXXJYHLHF-YUMQZZPRSA-N	245.710	-0.700	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]1C(F)F	1981409348	LRIKQASSLDSOML-MRVPVSSYSA-N	228.007	-0.395	50	10	BBGE	
NNC(=O)c1cncc(CSC2CNC2)c1	1984159910	HWYDNHPGQKFNDP-UHFFFAOYSA-N	238.316	-0.110	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cc(C(=O)NN)cs1	1985738488	ANPMPQWLZQNYMY-RCOVLWMOSA-N	241.316	-0.083	50	10	BBGE	
COC[C@H](O[C@H]1C[C@H](N(C)C)C1)C(=O)NN	1986221025	IERLAIBKAVCRCF-CIUDSAMLSA-N	231.296	-0.900	50	10	BBGE	
O=C1CO[C@@H]2CCN(C[C@@H](O)CCl)C[C@H]2N1	1986841164	OTYHCYKZBUELSV-DJLDLDEBSA-N	248.710	-0.825	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1COC[C@@H]1F	1989318000	BHOXJDQJCYDFGO-OSMVPFSASA-N	229.207	-0.360	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@@H](C1)C2(F)F	1990774733	MSFGBWWVKYYOJM-RNFRBKRXSA-N	233.218	-0.649	50	10	BBGE	
O=C(NC1CCC1)N[C@H]1CCC=C1B(O)O	1991328172	SHQXJRYDLGWFJS-VIFPVBQESA-N	224.069	-0.061	50	10	BBGE	
NC(=O)C1(NC(=O)[C@H]2C[C@H]2Cl)CCNCC1	1991680608	RTIHVANJTSFVBN-NKWVEPMBSA-N	245.710	-0.663	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@@H]1Cl	1991680657	SDVRHZURVYSJMJ-VDTYLAMSSA-N	240.455	-0.673	50	10	BBGE	
O=C(O)[C@H]1NCCN(CC2CC(Cl)C2)C1=O	1991699732	IVYFNXIQSCCZAZ-RRQHEKLDSA-N	246.694	-0.111	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H](O)C1(C)C	1993463569	GNKWPKWQQRDMSK-IUCAKERBSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)C2(CCC2)C1	2000816060	ZMJYHHXKQIFJBX-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1	2004327763	RBIXLQCHSLEVFN-QMMMGPOBSA-N	237.263	-0.964	50	10	BBGE	
CC[C@H]1CC[C@H]1N(C)c1ncncc1B(O)O	2004916422	LNNBCAKLODMLRB-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
COc1nc(OC2CC(C)C2)ncc1B(O)O	2004933375	GPEDTDJHDZIJCR-UHFFFAOYSA-N	238.052	-0.658	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H](F)C2)ccc1B(O)O	2005015109	WDBSVKZLSXRTDW-XVKPBYJWSA-N	238.071	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3C[C@H]3C2)n1	2005017857	LDGXHOOPEZPING-BDAKNGLRSA-N	233.080	-0.689	50	10	BBGE	
CC[C@@H](OCCCN1CCOCC1)C(=O)NN	2007021179	BYUYVXIUYVBAKK-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012015300	LZBZQVFKQSRKSR-WCBMZHEXSA-N	242.323	-0.789	50	10	BBGE	
N#CCC1CN(Cc2nc(C(=O)NN)co2)C1	2013465440	FGUNKZCVJZELCB-UHFFFAOYSA-N	235.247	-0.376	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013676260	BHGDUYJORNXPRF-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@H]2C[C@@H]21	2016676053	RZDZJAWASBQYHC-GUBZILKMSA-N	233.076	-0.426	50	10	BBGE	
O=C(NCC#CB(O)O)c1cc(O)ccc1F	2021157256	JSUMCCNMHCCVNX-UHFFFAOYSA-N	236.995	-0.724	50	10	BBGE	
C[C@@H]1CNCCN1C(=O)CN1CC=C(C#N)CC1	2045268191	QDDKSLUCJWDJJH-LLVKDONJSA-N	248.330	-0.038	50	10	BBGE	
Cc1ccc(CN2CCO[C@H]3C[C@@H]32)cc1B(O)O	2051854323	RKNMLQZUSYJISE-STQMWFEESA-N	247.103	-0.352	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CC23CC3)ncc1B(O)O	2052554902	BFRZXAICAPTVBE-VIFPVBQESA-N	247.107	-0.299	50	10	BBGE	
CCc1ccc(OC)c(OC)c1B(O)O	2060056059	KRGXPPIEHZLRKH-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
CCc1cc(C#N)cc(C=O)c1B(O)O	2060238667	ORGHXUJKUKHCOF-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1c[nH]ccc1=O	2076077686	AWAUEHNLODQCFL-VIFPVBQESA-N	248.047	-0.795	50	10	BBGE	
CC1(O)CC(NC(=O)c2ccccc2B(O)O)C1	2079010635	RIKJCDVAQKKYHK-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
C=COCCCNC(=O)c1cccc(B(O)O)c1	2079011286	BUKUZVDJRSOKIV-UHFFFAOYSA-N	249.075	-0.354	50	10	BBGE	
Cc1ncnc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c1B(O)O	2086991513	SSCABWAEQPZHGL-LALMQGGXSA-N	246.075	-0.502	50	10	BBGE	
Cc1ccnnc1C(=O)N1CC[C@H](B(O)O)C1	2208732572	WLOFQNBACBYURF-QMMMGPOBSA-N	235.052	-0.526	50	10	BBGE	
CCN(C)Cc1nscc1B(O)O	2209232904	VJSDIFYOFSQHFC-UHFFFAOYSA-N	200.072	-0.725	50	10	BBGE	
CN1CC2(CCN2C[C@H]2C[C@@H]2C(=O)NN)C1	2212300902	JDZMUQIREIMRRL-BDAKNGLRSA-N	224.308	-0.998	50	10	BBGE	
Cc1cnc(N(C)C2CSC2)cc1B(O)O	2212606500	VFFOBXGPAHOPBH-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
C=CC[C@@H](N)COc1ccc(B(O)O)cn1	2212607993	FRCWUBRWROXMMG-SECBINFHSA-N	222.053	-0.956	50	10	BBGE	
CP(C)(=O)CCNc1ncccc1B(O)O	2212611338	ZLDDUPNEGDKQFG-UHFFFAOYSA-N	242.024	-0.204	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@H]1CO	2215770864	DZPRMSJRQBUYHS-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@@H]1CCO	2215772107	LYJLOMIYHWWGEJ-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2(CCOC2)C1	2215774084	CRGRBODMFWXDIG-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
CN1CC2(C1)CN(CC1(C(=O)NN)CCC1)C2	2216497523	MPNLFVKCAJDEAY-UHFFFAOYSA-N	238.335	-0.606	50	10	BBGE	
Cc1cnc(=O)n(CC2(C(=O)NN)CCC2)c1	2216539329	FCCYRNFUTSVETR-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCCO1	2217175887	OQCGPRONAIBXIG-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CC(C)[C@@H](CN)Nc1nccc(B(O)O)c1F	2217181918	XBNYSYKUVWFLAK-MRVPVSSYSA-N	241.075	-0.704	50	10	BBGE	
NCCC(F)(F)COc1ncccc1B(O)O	2217184718	REOBOCYDPLEUCR-UHFFFAOYSA-N	246.022	-0.876	50	10	BBGE	
C[C@H](CN)CCOc1nccc(B(O)O)c1F	2217186260	HYALXRWCRDECFA-ZETCQYMHSA-N	242.059	-0.736	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1c1cc(B(O)O)ccn1	2217197560	NULXFUGRNFJWHG-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
NC[C@H]1CCCCN1c1ncccc1B(O)O	2217197992	UQRCCHFOULQFDW-SECBINFHSA-N	235.096	-0.921	50	10	BBGE	
C#C[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217203186	QQRSYEBOLKCZRA-NXEZZACHSA-N	230.076	-0.025	50	10	BBGE	
C[C@@H]1CNCCCN1Cc1cccc(B(O)O)c1	2220053202	BOWMJVYYSNPADL-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@]1(C)CN	2223638416	KSCFURMTPFZGRR-JOYOIKCWSA-N	249.123	-0.818	50	10	BBGE	
CC#CC[C@H](CO)Nc1cc(B(O)O)c(C)cn1	2223643831	AZHRFYQHJYDVCG-SNVBAGLBSA-N	248.091	-0.744	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C=CCCCC2)[nH]c1	2223676540	CHJOMFGAUCTSRU-SNVBAGLBSA-N	247.107	-0.263	50	10	BBGE	
O=C(NCC(F)(F)F)[C@@H]1C[C@@H]1B(O)O	2241496032	OQTGKNJQRQPPQX-DMTCNVIQSA-N	210.948	-0.472	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1CC[C@@H]1O	2242403377	OGQQNDGPLIWGIK-BQBZGAKWSA-N	218.278	-0.590	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@@H]1CF	2243356966	PGVOAMCYNSJKNX-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
Cc1nn(C)c(NC(=O)C#CB(O)O)c1Cl	2243362459	RFYVJZXZLDTRCA-UHFFFAOYSA-N	241.443	-0.664	50	10	BBGE	
CCn1ccnc1NC(=O)C1(B(O)O)CC1	2243365238	KAKWHHCKPBZJFT-UHFFFAOYSA-N	223.041	-0.152	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCN1	2243366121	XODKOPBQFDEFNN-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
Cc1cc(C(=O)N(C)C)cc(C)c1B(O)O	2243380954	AXBWZPKNYLUUCA-UHFFFAOYSA-N	221.065	-0.315	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)CO1	2243395948	FCDRLVJZMBMYJH-RYPBNFRJSA-N	227.069	-0.515	50	10	BBGE	
CCC[C@H](CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243396263	JXAILZBZKFZXTP-XHNCKOQMSA-N	229.085	-0.626	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1nscc1B(O)O	2243398702	SLZUJQCXCVFBIF-CAHLUQPWSA-N	240.093	-0.697	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](CC(F)F)C1	2243398999	ISSMZRTYUOOBAO-ZETCQYMHSA-N	231.007	-0.495	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C#CB(O)O)[C@@H]1C	2243399974	TWYJKCCDYGNLCP-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243403828	DKUVSHNEPRHMOR-UYXSQOIJSA-N	227.069	-0.467	50	10	BBGE	
Cn1ncc(B(O)O)c1C(=O)OC(C)(C)C	2243451931	HLSUYWNOTLETIE-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
C[C@H](O)CN(C1CCC1)[C@H](C)CC(=O)NN	2244881013	BUHAVZDQKXIVOD-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@]2(O)C[C@H]2C1	2246748740	NXTVMTYRMRTSBC-AUTRQRHGSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1cc(B(O)O)c[nH]1	2247744893	ZEZZAPSOBNHZRE-POYBYMJQSA-N	240.043	-0.733	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCC[C@@H]1CO	2247786520	BVPUORNXOXHSBC-KXUCPTDWSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1CO	2247792792	UXNLSFRXFJXLFC-KYXWUPHJSA-N	241.096	-0.674	50	10	BBGE	
COCCOCCCNC(=O)[C@H]1C[C@H]1B(O)O	2247797241	HNLOECPAIYSMAQ-DTWKUNHWSA-N	245.084	-0.981	50	10	BBGE	
O=C(N[C@@H]1COCCC1(F)F)[C@H]1C[C@H]1B(O)O	2247797577	KYZRQBANXBCLDM-RRKCRQDMSA-N	249.022	-0.610	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCN[C@H]2C1	2247803262	AHJKKCDFNWZAKL-JXUBOQSCSA-N	238.096	-0.940	50	10	BBGE	
CCC1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247809888	SCYKJZHGEFCQOB-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC=CCC1	2247869362	QDMJBPPFXFTOJP-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CCN(CC1(O)CCC1)C(=O)C1(B(O)O)CC1	2247872403	RFSYJWXKAAUYES-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
O=C(N1C[C@@H](F)[C@@H](CO)C1)C1(B(O)O)CCC1	2247877243	DXLDXJYQOWBGML-HTQZYQBOSA-N	245.059	-0.828	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1ccnn1C	2247878627	OYAZKIXKUMSLGC-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CCNCC2)C1	2247888123	WHGMGWZOADSGFM-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247888410	ZEEHYMWDHXHIRG-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)[C@@H]1C	2247896243	FMQHXBSTHUTOKL-WUNNTHRKSA-N	239.080	-0.121	50	10	BBGE	
O=C(NCC1(F)CC(CO)C1)[C@@H]1C[C@@H]1B(O)O	2247896551	ZNXBQBQFQZIQKR-CINMIUTLSA-N	245.059	-0.924	50	10	BBGE	
CCN1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899521	NUIWMCIXZKMGPJ-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@]1(O)CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247906317	XSXMUOZVTDCDOW-QAEOJHPCSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC(C)(C)[C@H]1CO	2247990496	UMQHGYFDAOEMAB-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1cocc1B(O)O	2249416186	OBWRILLQJMIXBZ-UHFFFAOYSA-N	236.036	-0.761	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C1(F)CC1	2249416977	ZKCKPASLRBRHOX-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]1C(F)F	2249419695	KJZRPXVSWLSXEL-LURJTMIESA-N	244.990	-0.561	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2250336433	OHSPKHITZTVVNV-GOVZDWNOSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]21	2255448221	BUWWHPWZUJGZNT-MRTMQBJTSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1ccoc1B(O)O	2255461746	LTNGNFCEJNHETI-ZLYVCXLSSA-N	247.059	-0.656	50	10	BBGE	
C#C[C@@H](NC(=O)c1occc1B(O)O)C(C)(C)C	2255482170	QTFXHBAWCJELDX-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255487848	VXQHETFXGDOQPP-MRVPVSSYSA-N	246.075	-0.789	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2C[C@@H]3C[C@H]3C2)c1	2255509088	HJVUHXCHEHMCAT-QWRGUYRKSA-N	245.087	-0.233	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@H]21	2255511677	NISQEXOFZXSXPQ-WCBMZHEXSA-N	248.091	-0.578	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@@H]2CC[C@H]21	2255551554	ZFOMAEYVYHDJBU-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
C=C1CCN(C(=O)c2nc(C)ccc2B(O)O)C1	2255731995	OLFPKESPRIXXLG-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1O	2255954329	WZPZXKGFGBHCGG-MRVPVSSYSA-N	247.059	-0.929	50	10	BBGE	
Cn1cnc(Br)c1C(=O)NN	2297004152	GLTGPHJZFMNLFA-UHFFFAOYSA-N	219.042	-0.214	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962793	NHNOZTHSHZXFBC-YTWAJWBKSA-N	241.335	-0.296	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369007	FRCUPUAXESWWKB-XFWSIPNHSA-N	241.096	-0.364	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CCC[C@H]2C1=O	2298369212	MRKALPWWGDESSX-UYXSQOIJSA-N	237.064	-0.366	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369581	YXNKVIXAIQDDRV-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369725	CHMMVPGBZOIIII-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2299721886	QLYYPRKRFRCDPL-HRDYMLBCSA-N	240.112	-0.694	50	10	BBGE	
NNC(=O)C1(CN2CCC3CC2(CO)C3)CC1	2299794537	FHQFOBHUHYGQDY-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC[C@@H](F)C1	2299870364	QIJNFMILGDPWBK-YIZRAAEISA-N	245.059	-0.564	50	10	BBGE	
C[C@H](N)[C@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301422518	IHZWTUIMVSFINX-YUMQZZPRSA-N	236.080	-0.674	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1[C@H]2COC[C@H]21	2302625217	QGIDHMTUPMRGST-BRPSZJMVSA-N	235.048	-0.967	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@](C)(B(O)O)C2)n[nH]1	2303105815	QUOPRAIURMIGBJ-SNVBAGLBSA-N	237.068	-0.203	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2[C@H](O)C[C@H]21)C(=O)NN	2303424302	QFTDEKDOCHKWEG-BTQIBKBOSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(OC[C@H]2NC[C@@H]3C[C@H]23)cc1B(O)O	2312614103	VXQMLCYSJDJCTF-ATZCPNFKSA-N	248.091	-0.943	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2317162344	RLNSYXXSBNGWFD-VIRWGQHYSA-N	246.075	-0.581	50	10	BBGE	
CC(C)(C)NC=C(C#N)C(=O)NCC(=O)O	2324946236	YFIGHWIWOXXGOY-UHFFFAOYSA-N	225.248	-0.017	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCNC(=O)C1	34963405	HUDMLBDMZZVWIS-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
COc1cccc(C(=O)NNC(=O)CN)c1	49819121	FXVUAFAHPFFCMU-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCN1)c1ccccn1	49826397	UHCYDXXUVSWDIF-SECBINFHSA-N	234.259	-0.405	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCS(=O)CC1	82469748	SYEPVYOKVMAHGW-MRVPVSSYSA-N	233.337	-0.935	50	10	BBGE	
CN1C[C@@H](NC(=O)NC(=O)CCl)CCC1=O	82757267	DVBHQZGWIVVPPK-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)NC(=O)[C@H]1C	85086989	RJRPFPKQOJUHMN-RFZPGFLSSA-N	218.640	-0.513	50	10	BBGE	
CNCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	86313701	SZBNXRONWMQYPY-SFYZADRCSA-N	202.302	-0.848	50	10	BBGE	
C[C@](O)(C#N)c1nnc2c(=O)c3c([nH]n12)CCC3	106366210	LLLDGIUAYJWPJS-NSHDSACASA-N	245.242	-0.363	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NN(C)C(N)=O)O1	179696569	HCMLIAZSUFHPDV-WDSKDSINSA-N	201.226	-0.404	50	10	BBGE	
O=c1ccn(Cc2ccc(F)c(B(O)O)c2)cc1	203149116	HFBJRIWWSRLLJR-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCOC	212014854	MIALWYUKVOAXGD-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC[C@@H](C)O	220009400	SEBLMQFJKGBYFM-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)CC1=O	232300093	IDWPXLNZEQUGLY-UHFFFAOYSA-N	240.712	-0.671	50	10	BBGE	
C[C@@H](Br)C(=O)NCCNC(N)=O	235147197	DNXCLOUPDNBOER-SCSAIBSYSA-N	238.085	-0.446	50	10	BBGE	
O=C(NC[C@@H](O)CO)C(Cl)Cl	238708200	GHUHOHAVVMYIKX-GSVOUGTGSA-N	202.037	-0.741	50	10	BBGE	
C[C@H](CN1CCC[C@H]1CCCO)C(=O)NN	251051867	APOVNCSPNQGEPD-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CN1CCN(Cc2ncccc2C(=O)NN)C1=O	302430107	VGAJVRSDTIYBCO-UHFFFAOYSA-N	249.274	-0.448	50	10	BBGE	
CCN1CCCN(CC(=O)NN)CC1	306172580	BFVHKVOTOFRMCU-UHFFFAOYSA-N	200.286	-0.996	50	10	BBGE	
N#Cc1ccc(=O)n(CCC(=O)NN)c1	309046574	NOOADZVXVMSRGP-UHFFFAOYSA-N	206.205	-0.900	50	10	BBGE	
N#Cc1cc(-n2cccn2)ccc1B(O)O	309280376	GLKKLSKXRDRRAL-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
CCN([C@@H]1CCOC1)[C@H](COC)C(=O)NN	381215583	FTZZDVCMPRFYNT-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@](C)(O)CNC(=O)CBr	382571092	RHLCKGKOJHSNOR-ZETCQYMHSA-N	240.097	-0.105	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1CCCC(=O)NN	383078082	HWHMTNUPCYVTIA-UHFFFAOYSA-N	234.259	-0.202	50	10	BBGE	
COC(=O)C[C@H](N)c1ccc(B(O)O)cc1F	383708865	GQTLDTCNEWTMPI-VIFPVBQESA-N	241.027	-0.932	50	10	BBGE	
CCOC1=CC(=NNC(N)=O)CC(=O)O1	383987553	CLQMHLNCRZEGOT-UHFFFAOYSA-N	213.193	-0.165	50	10	BBGE	
CO[C@H](C)CN(C)Cc1nc(C(=O)NN)co1	386996197	PJXJFIGUZFIMDQ-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
Cn1cc(OCc2nc(C(=O)NN)co2)cn1	387043114	UZLOJJKDWZBLBG-UHFFFAOYSA-N	237.219	-0.409	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H](CO)[C@@H](C)O	387518129	HDXRQGSRLSWNDV-HSUXUTPPSA-N	240.097	-0.372	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@@H](N)CCl)C(C)C	389737583	UWJOSQPZHAODPW-NKWVEPMBSA-N	236.699	-0.134	50	10	BBGE	
O=C(O)CCc1ccc(O)cc1B(O)O	396058639	NXVNLJRHHCCOBD-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
COc1cc(C(F)(F)F)cc(B(O)O)n1	396102132	ICLQGGKOUJFSTA-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
O=C(O)c1nc2ccc(B(O)O)cc2o1	396123367	VZAOZCUHPGIOPF-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(CO)(OC)CC1	402701227	GGODOSMKCUPPOB-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@@H]2C1)C(=O)C(=O)NN	403410005	KHZPKRRELVXAJA-VGMNWLOBSA-N	225.292	-0.129	50	10	BBGE	
O=S(=O)(CCl)NCC[C@@]1(O)CCOC1	404142338	IVFWIQDCXZKDMP-SSDOTTSWSA-N	243.712	-0.356	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1CCOC1	404932486	AAHPZRGAIBWFEH-SNVBAGLBSA-N	249.075	-0.981	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCC[C@H]1O	689816562	MOVIJKWBFZQYLR-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CCc1nc(C(=O)N2CCC(O)(C#N)CC2)n[nH]1	692084704	HYONCSQJCQCZKC-UHFFFAOYSA-N	249.274	-0.142	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]3C[C@@H]32)cc1	707091109	XBIAHYQUOPWECF-JQWIXIFHSA-N	217.077	-0.039	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]2(CCOC2)C1	707280183	YGMLSQZLYNHLPL-ONGXEEELSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CN1CC(OCC(F)F)C1)C(=O)NN	707397677	YHDMPLJJEWTVSD-LURJTMIESA-N	237.250	-0.422	50	10	BBGE	
O[C@H](CCl)CN1CC(n2cncn2)C1	707661847	ZIHBYTZYIPXTQD-MRVPVSSYSA-N	216.672	-0.266	50	10	BBGE	
CON(CCN)CC(=O)NNc1ccccn1	708891207	TYTGSEUUMIPTIQ-UHFFFAOYSA-N	239.279	-0.653	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@@H](O)C[C@H]1C2	710478809	QYEJQRLLSXEKMK-IWSPIJDZSA-N	213.281	-0.788	50	10	BBGE	
C#CCCS(=O)(=O)N1CCOC[C@@H]1N=C=O	710918392	WJCLIXURMKCELN-SECBINFHSA-N	244.272	-0.666	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)C(C)(C)CCl)C1	714441927	RSIGQXLAOBTLPT-UHFFFAOYSA-N	249.694	-0.002	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN(C)C(=O)C(=O)NN	716620258	QHVDSXZDSBFPBC-HXFLIBJXSA-N	225.292	-0.273	50	10	BBGE	
NC(=S)NNC(=O)c1cccn2nccc12	723523567	AEWJNGGVLVSFKF-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
Cc1cn(C)nc1COc1ccccc1B(O)O	723954006	LHBSGZHWOWFMRM-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)[C@H]2CCOC2)CCCO1	754353981	KNWRKZPGGHEHCX-KWQFWETISA-N	242.275	-0.261	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)CN(C)C	755888468	FFPCTAOUXRZJJK-QMMMGPOBSA-N	201.270	-0.068	50	10	BBGE	
COCC(=O)NN=C1CCC[C@H]1S(C)(=O)=O	761818551	KPUSBHHHIRTVIM-MRVPVSSYSA-N	248.304	-0.298	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)c1cc(O)n[nH]1	816824450	ZQQVMYGCEMBUPI-UHFFFAOYSA-N	249.230	-0.471	50	10	BBGE	
CC(C)(CCN1CC2CC1(CO)C2)C(=O)NN	822172809	VTYMTVVSEMGQFU-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)C1CCOCC1	923058058	UHQLJLLKDNUBJC-PKRMOACSSA-N	242.275	-0.503	50	10	BBGE	
Cn1cc(CCC(=O)NNc2cccnn2)nn1	1328349048	JMECAKYGFWIUFH-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
CCn1nncc1C=NNC(=O)c1cn(C)nn1	1330030858	RYQWBPKLGONLQX-UHFFFAOYSA-N	248.250	-0.810	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNc2nc[nH]n2)CO1	1472574440	VOYVWLZNBSMEAH-WDSKDSINSA-N	211.225	-0.327	50	10	BBGE	
CCN(CCO)NC(=O)c1nsnc1O	1557201556	YCWPABUYIKLMIS-UHFFFAOYSA-N	232.265	-0.797	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cnsn1	1634277826	IQLYOXZQMYOVHJ-MRVPVSSYSA-N	242.260	-0.764	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1C[C@@H](O)C1	1883648381	ZHRRZVGCCZNLRP-MXSSIIPASA-N	203.625	-0.053	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)NC(=O)OC	1884831939	WWQQIFOLGUCKRE-YFKPBYRVSA-N	240.668	-0.583	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)CCCl	1885617641	YXQZZLJVPJDYCT-XPUUQOCRSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H]1NC(=O)CN(C[C@H]2C[C@@H]2Cl)C1=O	1893098434	INMIZOSJJMKRTD-XVMARJQXSA-N	216.668	-0.039	50	10	BBGE	
CO[C@H]1COCCN(S(=O)(=O)CCl)C1	1893377440	YVSWQTLUGBWKSB-SSDOTTSWSA-N	243.712	-0.140	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475377	SPYPTWIYZWTHMQ-VANKVMQKSA-N	221.640	-0.436	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@H]2CCCO[C@@H]12	1893924302	IXRIHYARTIBZSY-NQMVMOMDSA-N	213.281	-0.667	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@]1(C)CCOC1	1895360450	NYRJHEKNIVCDGJ-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@@H](C)CC(=O)NN	1895543269	OBFNBEKVBUSLKG-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cnsc1B(O)O	1900475452	UWUYDJBDIHNNBN-VDTYLAMSSA-N	240.093	-0.697	50	10	BBGE	
C=C[C@@H](CCl)NS(=O)(=O)c1nc[nH]n1	1901634232	AKMHEQVJMDFZNU-YFKPBYRVSA-N	236.684	-0.124	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CCC1(F)F	1905697018	YIFCSNBECSLYQC-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CN1CCN(CC(F)(F)C(=O)NN)[C@@H]2CC[C@@H]21	1906866167	BZPCKVLQVIQARF-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
C[C@@H](CCO)N(C)[C@@H](C)CCC(=O)NN	1917042572	FCDVTBXPZRLGGS-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CCN(CCOC)C[C@H]1C[C@@H]1C(=O)NN	1927913595	KZGMZMPMBAKRDV-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
CCC[C@]1(O)CCN(CCC(=O)NN)C1	1930885400	IYVFHBXYUQEREV-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
CCCN(CCOC)[C@@H](C)C(=O)NN	1933483762	MIYQEAGKZGWNGZ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CC1(C)C	1934005080	TUBDNGMMMBDWTA-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)C[C@H]1C)C(=O)NN	1934980690	JRTOLVADXZIKDQ-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCS[C@@H](CO)C1	1936079284	FAHCDBKRNWYFBK-DJLDLDEBSA-N	245.348	-0.978	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCCO)C1CC1	1936089819	FHCSMGASWMPIIS-WCBMZHEXSA-N	227.308	-0.541	50	10	BBGE	
NC(=O)[C@H]1CC[C@@H](NC(=O)NC(=O)CCl)C1	1936943473	UDCLULWMZUCSEV-NTSWFWBYSA-N	247.682	-0.295	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC(O)C2)C1	1937043516	SZWGTMSLYQGGEW-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
O=C1CN([C@H]2C[C@@H]3OCCC[C@@H]32)CC(=O)O1	1938612446	ZJHSISRXPWWRFI-VGMNWLOBSA-N	225.244	-0.061	50	10	BBGE	
COCCN1C[C@@H](Cl)[C@@H](c2nnnn2C)C1	1939853447	IJGYHHDWIUIKCU-JGVFFNPUSA-N	245.714	-0.137	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081272	AQFMVXHLWPGOBM-VPOLOUISSA-N	241.335	-0.437	50	10	BBGE	
CN(Cc1ccncn1)C[C@H]1C[C@H]1C(=O)NN	1941087847	CYARCSDPQOZAPN-PSASIEDQSA-N	235.291	-0.466	50	10	BBGE	
CN(CC1CC1)C(=O)N1CC[C@H](B(O)O)C1	1951320668	PCXYUZHIZQKOCH-VIFPVBQESA-N	226.085	-0.003	50	10	BBGE	
CC(C)(CN1CC[C@H](B(O)O)C1)S(C)(=O)=O	1951321141	ZMNYRLNDOATSGJ-QMMMGPOBSA-N	249.141	-0.642	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCl)CC[S@]1=O	1954066860	FZXCCCSIRICPFB-PWCHPLFNSA-N	245.753	-0.035	50	10	BBGE	
O=C1C[C@@]2(CCOC2)N1C[C@H](O)CCl	1955268528	DYZOAOKCIPIFNB-VXNVDRBHSA-N	219.668	-0.023	50	10	BBGE	
O=S(=O)(CCCl)NCCOCCCO	1955498015	TWIWQVNUYBPNSF-UHFFFAOYSA-N	245.728	-0.456	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)NNC(N)=O)C1	1956492980	GLSOLSSNZHUREJ-OLQVQODUSA-N	201.226	-0.499	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@](O)(C(N)=O)C1	1958797543	JDCKINBPTURFAA-IMTBSYHQSA-N	234.683	-0.548	50	10	BBGE	
C=C(COc1cccc(B(O)O)c1)OC	1961428070	FQFGAJCCUCJLSU-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
Cn1cnc(NC(=O)c2cccc(B(O)O)c2)c1	1971565721	FHBJSXUZTUVFIQ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CNNC(=O)c1cnc(OC)cc1OC	1974882340	UAKNQEMTJJEAAT-UHFFFAOYSA-N	211.221	-0.037	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(CCCC(=O)NN)C1	1976441974	SDGJLCUUSMHQBA-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)(CN1CC=CCS1(=O)=O)C(=O)NN	1979181307	PQJMFYLCZUDSKO-UHFFFAOYSA-N	247.320	-0.796	50	10	BBGE	
NNC(=O)C1(CN2CCOC3(CC3)C2)CC1	1980204259	BFIDIANRACTWES-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
CSC[C@H](C)N(C)c1ncccc1B(O)O	1981424638	WPFMVDPPBAAGTC-QMMMGPOBSA-N	240.137	-0.051	50	10	BBGE	
Cc1nc(N2CCC[C@@H]2C)ncc1B(O)O	1981447390	MWJJAYWRFHWCNT-ZETCQYMHSA-N	221.069	-0.546	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3C[C@@H]32)n1	1981447853	UIWXNUFXOUSNPQ-WPRPVWTQSA-N	218.065	-0.332	50	10	BBGE	
CN(CC1(C)CCOCC1)C(=O)C(=O)NN	1982419377	YULBFIUYNJVTCO-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
OB(O)c1csc(OCCN2CCCC2)n1	1982848505	CYWXSNHWPXLRIV-UHFFFAOYSA-N	242.109	-0.703	50	10	BBGE	
C[C@@H](O[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	1986234164	HYHSEZQUZATBQL-PRJMDXOYSA-N	225.252	-0.623	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@@H]3CC[C@@H]3C2)n1	1988174281	BKGDLTKKTBCTSJ-ILWJIGKKSA-N	220.081	-0.001	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	1988837160	LQNPWEWRDTZCND-QHOPCYEYSA-N	231.271	-0.698	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COCC[C@H]21	1989935108	GLCKQCFXTMQLAQ-IVZWLZJFSA-N	227.308	-0.278	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN(CCO)CC1	1991663308	TWOKBWYEAOECPI-UHFFFAOYSA-N	246.694	-0.556	50	10	BBGE	
CO[C@H]([C@H](C)NC(=O)C(=O)NN)C(F)(F)F	1991805764	CSRYRHIHZNCVSJ-IUYQGCFVSA-N	243.185	-0.942	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(C)C1	1995641660	WUBQDUPOKUGCBT-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOCCOCC1	1997204251	ZHZQUUHOGJKATL-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)N1CCCCC1	1998130693	MZPRJAOUHZZIDQ-SSDOTTSWSA-N	244.056	-0.892	50	10	BBGE	
Cc1occc1C(=O)N[C@H](CB(O)O)C(=O)O	1998136379	AGDAOUPZNLFAIM-SSDOTTSWSA-N	241.008	-0.756	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1c1cccnc1	2004371463	HZDWVSRZTIKPBT-VIFPVBQESA-N	234.259	-0.265	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)c1ncccc1B(O)O	2004935148	KTISIHWPHUGPLQ-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
CO[C@@H](COc1ncc(B(O)O)cn1)C(C)C	2004953015	VBLQZAMNZQFFEM-VIFPVBQESA-N	240.068	-0.794	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2CC[C@H]2C1	2005018697	XGOFRSMONJSOCR-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1nn(C[C@H]2CCO[C@@H]2C)c(C)c1B(O)O	2008416524	AFJWRVCRGHTXDF-NXEZZACHSA-N	238.096	-0.395	50	10	BBGE	
CN1CCCC12CN(CCCCC(=O)NN)C2	2013599561	DRFMGWXFPPSZQE-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(C)(CN1CCn2nncc2C1)C(=O)NN	2013645580	ZIYXWWHZEMXDKY-UHFFFAOYSA-N	238.295	-0.890	50	10	BBGE	
COC1(CC(=O)N[C@H]2CCC=C2B(O)O)CC1	2020056025	HIISILRISBPDBN-VIFPVBQESA-N	239.080	-0.228	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)[C@@H]1CCCCO1	2020063120	VZXCTZIVCAYFPB-ZJUUUORDSA-N	241.096	-0.124	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)CC(=O)NNC(C)=O	2023744934	HUGFPHIWYIEBRN-NSHDSACASA-N	237.303	-0.113	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1ccncc1	2040767827	XWYOEARYRKPUER-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CO[C@@H]1CN(c2ncccc2B(O)O)CC12CC2	2052499111	OEJWPCIMXJEWRK-SNVBAGLBSA-N	248.091	-0.623	50	10	BBGE	
CN(C)C[C@@H]1CCN(c2ncccc2B(O)O)C1	2052499663	XAUSSCMPQDTFGD-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
Cc1ncnc(N2CC(CC(C)C)C2)c1B(O)O	2052556557	NAZDIMSYDRRWTO-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
CCOc1cc(C=O)c(C)cc1B(O)O	2060142281	ZWAWEDGGYKRVDN-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
COC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2079010202	XVBPAWWBRZUYJK-ONGXEEELSA-N	249.075	-0.869	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(CCO)C1	2211839643	XIGOCSXEBZKHIL-UWVGGRQHSA-N	227.308	-0.683	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Nc1cc(B(O)O)ccn1	2217172230	IKVTWHXHZZBMCS-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
CC[C@@H](C)[C@@H](N)COc1ncccc1B(O)O	2217183530	IYCRDZUMCVUDOB-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CCO1	2217184276	OCVOFKQQYHMQSI-CBAPKCEASA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC[C@@H]2O)c1F	2217184663	QSHKCEFHTUFLKC-XPUUQOCRSA-N	240.043	-0.917	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]2C2CC2)[nH]c1	2217201683	FFPBGRUWWGBEPY-KOLCDFICSA-N	232.092	-0.359	50	10	BBGE	
N[C@H]1CC[C@H](CNc2ncccc2B(O)O)C1	2217202998	OFVBGZZMXLRYCM-IUCAKERBSA-N	235.096	-0.699	50	10	BBGE	
OC[C@H]1CCCCN1c1ccc(B(O)O)cn1	2217205225	VYXFSIFPZDPXCY-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
C[C@]1(CN)CCCN1Cc1cccc(B(O)O)c1	2220072530	OWYXKJLKKOCSKA-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)[C@H](C)CN1C	2222181951	SLNGJBHFUZRUPX-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3CNC[C@@H]32)nc1	2223644509	KDVNIAZVYJNVEL-INTQDDNPSA-N	248.091	-0.862	50	10	BBGE	
CCN(c1cc(B(O)O)c(C)cn1)C1CN(C)C1	2223648491	LWHNWTVBWBFRHI-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
C[C@H](CF)NC(=O)C1(B(O)O)CCC1	2241471021	FQRVTQLZTKRJDP-ZCFIWIBFSA-N	203.022	-0.142	50	10	BBGE	
CSCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241495513	JWCLBHMISFELQO-BQBZGAKWSA-N	217.099	-0.281	50	10	BBGE	
CC(C)C[C@@H](NC(=O)NC(=O)CCl)C(N)=O	2242639466	CKDWIRQOPLRTDS-ZCFIWIBFSA-N	249.698	-0.049	50	10	BBGE	
O=C(NOCC1CC1)c1ccc(B(O)O)o1	2243356350	GKYQGIRNNMJQDH-UHFFFAOYSA-N	225.009	-0.969	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2243356906	OLMAQUPUUFPMPF-RCOVLWMOSA-N	222.053	-0.825	50	10	BBGE	
C[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2243357249	UAPCZBKMDIUTNX-OWUUHHOZSA-N	221.065	-0.209	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(F)cc1	2243357251	UBGMXEFOPXYKLR-UHFFFAOYSA-N	220.996	-0.543	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)C#CB(O)O	2243362159	NBPQHVJLRPPSBR-KXUCPTDWSA-N	221.065	-0.209	50	10	BBGE	
CN(Cc1ccon1)C(=O)C1(B(O)O)CC1	2243366250	ZHHAAMIOSWKEKF-UHFFFAOYSA-N	224.025	-0.360	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@@H]1CF	2243378215	OVTJGZDMYXTAGC-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CC[C@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243408963	YIAWITOGDPTTHB-SFYZADRCSA-N	226.085	-0.750	50	10	BBGE	
CCOC(C)(C)CNC(=O)C1(B(O)O)CC1	2243410786	HSOQOCGRQQVAHM-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1CC[C@@H]1C)B(O)O	2243411896	CEGWIXGHUZXJFT-IONNQARKSA-N	247.125	-0.480	50	10	BBGE	
C#CCN(C(C)C)S(=O)(=O)CC(=C)B(O)O	2243412287	JVQWQBRDALJOJG-UHFFFAOYSA-N	245.109	-0.772	50	10	BBGE	
C=C(F)CNC(=O)c1scc(C)c1B(O)O	2243414143	UQVLBOFOYQPDBL-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243427069	PRYDVLWTFCPLCP-XGEHTFHBSA-N	227.069	-0.657	50	10	BBGE	
O=C1NCC[C@H]1CN1CCC(B(O)O)CC1	2244176985	LCXWEMSQKFHVGU-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cocc1B(O)O	2244205408	IZNRKLWJYCREJS-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
N[C@@H]1CC[C@H]1CNC(=O)C1(B(O)O)CCC1	2244705307	BVIFXJMOYDVVGY-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
C[C@@H](CN)COc1cc(B(O)O)c(Cl)cn1	2245913167	NFECXTGOFIMURV-LURJTMIESA-N	244.487	-0.612	50	10	BBGE	
C[C@@H](COC(F)F)Oc1ncc(B(O)O)cn1	2246676712	RGKCXVFMEKPVHF-YFKPBYRVSA-N	247.994	-0.837	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@]2(O)C[C@@H]2C1	2246743039	MJHYASQBTCFVKD-BFLSOPEQSA-N	239.319	-0.541	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1ccc(B(O)O)o1	2247739764	BFHAJTFNFOABQL-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2247742715	SQAWHKFKDFBPBO-LYIWLLOFSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1ccoc1B(O)O	2247744440	SRHLSOQVKGXYAM-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]2C)c(B(O)O)c1	2247752016	HAWZMKPEOJSEFG-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
CC[C@@H](C)[C@@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782496	VOTUNHDIQXEEBS-RNFRBKRXSA-N	239.084	-0.746	50	10	BBGE	
CC(C)(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247798757	WXNRUKFLIBVMOY-DJLDLDEBSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CCCO)C1CCC1	2247799896	JIHLZVVCQAZAFN-ZJUUUORDSA-N	241.096	-0.387	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)O	2247810701	ZJOXOZJFRSKKOE-REIXXSIJSA-N	241.096	-0.531	50	10	BBGE	
O=C(N1CCC=C[C@@H]1CO)C1(B(O)O)CCC1	2247856425	JPDAXRQSKSOCJT-SECBINFHSA-N	239.080	-0.467	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCCOC1	2247860395	WNINTZRMTAIOTM-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1O[C@H]2C=C[C@H]1C2	2247867343	CVWBERBVQLTMMR-BQBZGAKWSA-N	235.004	-0.956	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1	2247867421	DYNXUWMZWRKEKO-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
CNC[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247873818	MLKKNFIBDDPWIT-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
CC(C)(C)N(CCCO)C(=O)[C@@H]1C[C@@H]1B(O)O	2247899157	KXWPJMMOZPFZIP-BDAKNGLRSA-N	243.112	-0.141	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@@H]1C[C@H]1B(O)O	2247899921	RKMJTIIISHWKRJ-LDKXQDTJSA-N	235.092	-0.133	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247900192	UXLDOEFURFXPBI-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
CCN(CCCCO)C(=O)C1CC(B(O)O)C1	2247902869	HYYNFFFTKUERBH-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
CCOCCCNC(=O)NCCC#CB(O)O	2249985174	CRKHMFQXBMHTJB-UHFFFAOYSA-N	242.084	-0.882	50	10	BBGE	
COCCOC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2251799836	HIKODPLDGZJFDZ-QWRGUYRKSA-N	244.291	-0.421	50	10	BBGE	
O=C(NC[C@H]1CC=CCC1)c1cc(B(O)O)c[nH]1	2255463922	OWWDVTDAPCNIJR-VIFPVBQESA-N	248.091	-0.219	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CC[C@@H]2C)n1	2255487657	SIYREWGORLGJCK-OIBJUYFYSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2255683251	TZIIASWNQGTDOE-FTLITQJKSA-N	249.079	-0.314	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1occc1B(O)O	2255745027	LNIMKYBZEGKAPB-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2255778887	XATWZYAWNIIDFN-OTSSQURYSA-N	249.079	-0.485	50	10	BBGE	
CN(CCC#N)C(=O)Nc1cccc(B(O)O)c1	2255894290	ZRZILOZJKRQREL-UHFFFAOYSA-N	247.063	-0.256	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1ccccn1	2258131825	ZMDNJFSSDJDBFJ-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2298368811	ZGHXEGALQPPYDR-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2NCC[C@@H]21	2298371880	YOGFKKXFVOXEJP-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC2(COC2)C1	2300391625	WWKOLCLQJBEGQT-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
C[C@@H](CC(=O)NN)Oc1ccccc1C(N)=O	2300926930	QFJLMXKYUXUYJP-ZETCQYMHSA-N	237.259	-0.067	50	10	BBGE	
O=C(N1CCN[C@@H]2CCC[C@@H]21)C1(B(O)O)CC1	2302884472	FTQSMMDPLHSVNP-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
CCc1nnc(CN2CC[C@H](B(O)O)C2)n1C	2303107030	VYARFOYMTQHXFV-QMMMGPOBSA-N	238.100	-0.574	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2C[C@@H](CO)C[C@@H](C2)C1	2303491021	WARPHTKVUZBETA-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@H]1B(O)O	2312852185	JMBMZHBCZWZGTE-JMJZKYOTSA-N	248.091	-0.008	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1c1ccc(B(O)O)cc1C#N	2317155686	SFYMDMYXPWMRJI-PRHODGIISA-N	246.075	-0.802	50	10	BBGE	
CCNCCN(C)c1ccc(B(O)O)cc1C#N	2317163332	PHOVDGRFZOYTTA-UHFFFAOYSA-N	247.107	-0.716	50	10	BBGE	
NC[C@H](Nc1ccc(C=O)c(B(O)O)c1)C1CC1	2317309979	XMGPLODFAQRKMU-LBPRGKRZSA-N	248.091	-0.672	50	10	BBGE	
Cc1ncoc1C(=O)NNC(N)=S	34216834	GKBOAYWWOJJLOF-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
COC(=O)CN(C)C(=O)NC(=O)[C@@H](C)Cl	36905697	WYGOQCSKBJYRDU-RXMQYKEDSA-N	236.655	-0.045	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1COc2ccccc21	70069156	SXANNYAZSPQVTI-ZETCQYMHSA-N	221.216	-0.774	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1CN(C)C)C(=O)NN	82468638	LGRPUFWLVFTYPO-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
Cc1cc(=O)[nH]c(S[C@H](C)CC(=O)NN)n1	82471976	DQHILNVNMROZLJ-ZCFIWIBFSA-N	242.304	-0.061	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](O)C1	86313610	PYAGYWKIXMNYDV-CIUDSAMLSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cnc(C#N)n1	86313833	QNBPALUZBKRCDH-RITPCOANSA-N	208.225	-0.663	50	10	BBGE	
C[C@H]1CC[C@@H](C(N)=O)CN1C[C@@H](C)C(=O)NN	104124364	QAXZIXQSUVATQV-HRDYMLBCSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H](CN(C)CC1CCN(C)CC1)C(=O)NN	110582515	HOBMCKFCHWESGF-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC([C@@H](C)N)CC1	110648871	NCZXHAXQSIBSIP-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
N[C@@H](C[C@@H](Cl)S(=O)(=O)O)C(=O)O	118554305	SVVQYUQAAYWBGV-HRFVKAFMSA-N	217.630	-0.759	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2CCCC[C@H]21	134831214	LLWGTMWLYFHISQ-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
CSCC[C@H](C)NC(=O)C(=O)NN	164040843	DPIQCNBZLFRTCW-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
COCCOc1ccc(B(O)O)c(F)c1	203556656	IUHDZVMUHOEHMA-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
O=C(Cc1ccccc1B(O)O)N1CCCCC1	206097802	WLIIKJBFCHBKML-UHFFFAOYSA-N	247.103	-0.079	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(CO)CC1	212111385	RZDLMMWKYLVVJB-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H](C)C1	219251775	DXRTUCZVYSCLHP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC[C@@H](C)O	220009579	XCYXKUPUWHUOOL-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
COCC[C@H](C)Oc1cncc(B(O)O)c1	225617755	YPWCGMFFLQFIQL-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
CC(C)NC(=O)CNS(=O)(=O)CCCl	232295107	BIBQFNZFYGLINW-UHFFFAOYSA-N	242.728	-0.331	50	10	BBGE	
NC(=O)[C@@H](Cl)CC[C@@H](Cl)C(N)=O	238613167	CVILAQBVUOASEM-ZXZARUISSA-N	213.064	-0.048	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H]1CCO	251222191	NCGFFSJZRYNYGN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](CCO)C1	300229138	ODBVXXQXOZLFIY-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H]1CCO1	306220679	IBLZTSZHYMWACO-YFKPBYRVSA-N	203.267	-0.710	50	10	BBGE	
CO[C@@H](C)CN(C)CC(C)(C)C(=O)NN	308849146	GJJPCKIKSQWSPA-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N(C)C)CC[C@H]1N=C=O	309140328	WFWNMBFZIGMOBU-DTWKUNHWSA-N	247.320	-0.161	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1OC(C)C	310333304	ZHCXIWCXFXBYPZ-UHFFFAOYSA-N	238.048	-0.060	50	10	BBGE	
Nc1cc(OC(F)(F)F)cc(F)c1B(O)O	322191785	GYKDKUIJCHDQOZ-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COC1(C)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	382610298	ZPSNBHNVZUWGJZ-RKDXNWHRSA-N	243.307	-0.755	50	10	BBGE	
CC(C)(Cn1cccc(C#N)c1=O)C(=O)NN	383384178	HGBLPRFAWYOZEA-UHFFFAOYSA-N	234.259	-0.264	50	10	BBGE	
COCCOCOc1cccc(B(O)O)c1	390047665	DKQSAMFCAFQMFH-UHFFFAOYSA-N	226.037	-0.634	50	10	BBGE	
Cn1nnnc1S[C@@H](C(=O)NN)C(C)(C)C	395663451	DXAJPLIPIYUFAZ-YFKPBYRVSA-N	244.324	-0.293	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(O)c(B(O)O)c1	396026858	WZRDWFGBNBSTQW-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	405004693	OHGIFKCFQHNUPO-SKDRFNHKSA-N	247.103	-0.019	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)s1	405005321	OTCSJXFHYHZNHR-UHNVWZDZSA-N	226.066	-0.583	50	10	BBGE	
N#Cc1ccccc1C[S@@](=O)CC(=O)NN	586375542	FXCWSKYTGDXFMC-MRXNPFEDSA-N	237.284	-0.203	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]([C@H](C)O)C1	688961599	VIFBTJPBGMVUNR-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@@H](C)CCC(=O)NN	689810874	NFYYDMHFUDUWQX-ONGXEEELSA-N	247.339	-0.526	50	10	BBGE	
N#CC1(O)CCN(c2ncnc(N)n2)CC1	692092030	OMTJZWZRBGCFES-UHFFFAOYSA-N	220.236	-0.691	50	10	BBGE	
C#CCNC(=O)[C@@H](C)N1CCC(O)(C#N)CC1	692111452	FFLDKSUVWPUXSW-SNVBAGLBSA-N	235.287	-0.525	50	10	BBGE	
CC(C)(C)OCCn1cc(B(O)O)cn1	694535570	MKJFIAWZBIEIEJ-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(CCOC2)C1	707218879	KWVDKFHLMBNCHG-JTQLQIEISA-N	213.281	-0.521	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1Cc2ccc(B(O)O)cc2C1	707961835	NLTKDKXYTIIILS-PRHODGIISA-N	245.087	-0.135	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](CF)C1	711435376	PDIYPZCUNPOVTO-DTWKUNHWSA-N	233.287	-0.327	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1C[C@@H]2C[C@H]1CO2	718267241	LZMAHALMLSMRHN-STQMWFEESA-N	247.103	-0.352	50	10	BBGE	
CC(C)(C)[S@@](=O)NC1(B(O)O)CCOCC1	719565513	WJICUMPVGYVPPB-MRXNPFEDSA-N	249.141	-0.401	50	10	BBGE	
O=S1(=O)CC(CN[C@H]2COC[C@H]2Cl)C1	722780046	NELJAQHYNKNHJR-SFYZADRCSA-N	239.724	-0.373	50	10	BBGE	
C[C@@]1(CO)CCCN1CCCC(=O)NN	723001272	WMACEZLYDZQVKD-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
C[C@@]1(CO)CCCN1CCCCC(=O)NN	723022037	KNOOOZWCSWKDJA-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CC(=O)N(C)C1	862504347	YQVJKKQVNKOVMO-SECBINFHSA-N	248.286	-0.267	50	10	BBGE	
Cc1nnc(C=NNC(=O)CN(C)C)s1	863089225	LPWFSBJFLYBCOB-UHFFFAOYSA-N	227.293	-0.142	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)Cc1ccncc1	900931070	DGWDMIFULURESP-MXQLGCADSA-N	249.270	-0.292	50	10	BBGE	
CCCCCN1CCN(CC(=O)NN)CC1	1088648849	NBXXPMVZHOOLEA-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
O=C(NNC(=O)c1ncon1)N[C@H]1C=CCC1	1252777251	GORQNURNSHGDSH-LURJTMIESA-N	237.219	-0.268	50	10	BBGE	
COC(=O)N(C)NC(=O)CC1COC1	1332123266	CFWDMULKBDYDAJ-UHFFFAOYSA-N	202.210	-0.248	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccncn1	1472570208	QTNHPILHUUCIHT-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)[C@@H](C)CO	1640026569	VIEJRMFRIBFVFS-DTWKUNHWSA-N	215.297	-0.576	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@@H](N)CCCNC(=N)N	1866120103	VNBCAZZLEKOGFM-RQJHMYQMSA-N	249.746	-0.680	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC[C@H](O)CO	1882383009	GXAVWLDMHQGYRG-BQBZGAKWSA-N	209.673	-0.279	50	10	BBGE	
CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)F	1883211288	VSIMHKMWLSXKGY-CRCLSJGQSA-N	210.230	-0.950	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC2(CNC(=O)C2)C1	1884793536	WBZOHHAKKQRCNI-LURJTMIESA-N	216.668	-0.038	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)Cn1cnnn1	1884829569	SAKZBRPOYHOVDH-LURJTMIESA-N	213.628	-0.970	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1885916187	PAEZBWQCZPZSNB-YUWMTVOPSA-N	219.668	-0.575	50	10	BBGE	
C[C@H](CC(=O)NN)OCCCN(C)C	1888049443	GIIRNRALECSOLD-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C[S@](=O)CCN1CC[C@](C)(B(O)O)C1	1891586884	YGYDCMOBEDOGTA-RTHLEPHNSA-N	219.115	-0.696	50	10	BBGE	
NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1Cl	1893454334	VZYWGNGFVRTSRK-GJMOJQLCSA-N	218.684	-0.200	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)[C@@H]1C	1897041099	IECRWJCGCHEOSX-VXNVDRBHSA-N	229.280	-0.737	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC(=O)C=CC(=O)Cl	1897219766	WSGXSPUZPQXNQC-YLWLKBPMSA-N	246.650	-0.933	50	10	BBGE	
Cc1noc(CN2CC[C@](C)(B(O)O)C2)n1	1902542205	WNBCUGSUDZGPJT-VIFPVBQESA-N	225.057	-0.183	50	10	BBGE	
C[C@]1(CN2CC[C@H](B(O)O)C2)CCNC1=O	1902547033	UFYSNDAOCVFDAW-WCBMZHEXSA-N	226.085	-0.939	50	10	BBGE	
CCOCCC(=O)Nc1ncccc1B(O)O	1913635056	NGUMLHWPUOKQOH-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1NS(=O)(=O)CCl	1922133751	OIKPGSOYEGKFJF-BQBZGAKWSA-N	242.728	-0.569	50	10	BBGE	
CC(=O)N1CC(NC(=O)NC(=O)[C@H](C)Cl)C1	1926318471	GVEBWPVPQZGNPK-YFKPBYRVSA-N	247.682	-0.330	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1	1927862760	UZPQTUBEFLSKRU-SRQIZXRXSA-N	230.651	-0.655	50	10	BBGE	
CN(CC1CSC1)C[C@@H]1C[C@H]1C(=O)NN	1927913877	OFCKGIVIPIQPKL-DTWKUNHWSA-N	229.349	-0.093	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(F)(F)C1	1927915609	IVGKQALAVJYZEY-NKWVEPMBSA-N	219.235	-0.047	50	10	BBGE	
NC(=O)[C@H]1CC[C@H](NC(=O)CCl)C1	1928419543	TXFHRSGXTBHLKJ-WDSKDSINSA-N	204.657	-0.005	50	10	BBGE	
CC1(OCCC(=O)NN)CCOCC1	1928537294	QASVNVNOQYJSLT-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
CN(C)[C@@]1(C)CCN(CCC(=O)NN)C1	1930373803	OCSGGJDNCDXJKT-JTQLQIEISA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)CCN1CCS[C@H]2CC[C@@H]21	1931919292	LAKMHCKYHOWQFY-YUMQZZPRSA-N	215.322	-0.054	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc(F)ccc1=O	1936086876	WPOIVFXZDMYJJZ-POYBYMJQSA-N	225.223	-0.387	50	10	BBGE	
C[C@@H](CN1CCOC[C@H]1C1CC1)C(=O)NN	1936109758	BNQHATHOTPEYIZ-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)Cn2ccnc2)C1	1937195163	XUWKACAZMOFYTI-RKDXNWHRSA-N	242.710	-0.079	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)CC[C@@H](C)O1	1941771874	AMKJLKQELJKZDJ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCCC[C@H]1O	1941775520	PJRDPBOQTAPGTH-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
Cc1cccc2nc(C(=O)NNCCO)cn12	1944220180	OMVULEHZZRUECT-UHFFFAOYSA-N	234.259	-0.131	50	10	BBGE	
CO[C@@H](Cn1ccc(B(O)O)n1)C1CCCC1	1945163377	CRPDVTWNROLYNM-JTQLQIEISA-N	238.096	-0.232	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1946257928	UWCFLKDHVBZRII-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
Cc1c(CN(C)[C@H](C)CC(=O)NN)cnn1C	1947411962	WTQHPOXCKNUPFT-MRVPVSSYSA-N	239.323	-0.071	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CO1	1951321698	CRHMWGZBHDCCIQ-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
N#C[C@H](O)c1ccc(S(N)(=O)=O)cc1	1951368298	UHHLQCZPXYLHQT-QMMMGPOBSA-N	212.230	-0.109	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)[C@@H](O)CCl	1951634327	DLOALPZSEVJCSX-RITPCOANSA-N	216.686	-0.618	50	10	BBGE	
O=C(CCl)NC1[C@H]2CS(=O)(=O)C[C@H]12	1954213325	GTDRHOVPEOENJL-WHFBIAKZSA-N	223.681	-0.616	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)[C@H]1C[C@H]1C	1955062067	DVNNATDGPICLCS-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
O=C(CCl)NCC12CC(CO)(CO1)C2	1955381829	APKVETXVRURSLO-UHFFFAOYSA-N	219.668	-0.117	50	10	BBGE	
C[C@H]1C[C@H]1N(C)CC(F)(F)C(=O)NN	1957007580	VVRZYVMQRMEXNN-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	1957990175	XVTDVJJXEKYVPN-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
CC12CC(C(=O)NNC(N)=O)(CCO1)C2	1960151684	ZMSGNMOTQJUNDP-UHFFFAOYSA-N	213.237	-0.355	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@@](=O)C[C@@H]1C	1961553939	QWDPERMNIGTFGX-HQMDJKHHSA-N	233.337	-0.792	50	10	BBGE	
C[C@@H]1C[C@H](OCC2(C(=O)NN)CC2)CO1	1961627626	CCAVINIFAFHIQS-SFYZADRCSA-N	214.265	-0.050	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H](C(=N)NO)C1	1978776817	RRLIUHDLLBXKSG-SSDOTTSWSA-N	229.284	-0.159	50	10	BBGE	
CCOC[C@H]1CCCN(C(=O)C(=O)NN)C1	1980742954	COUGKDSCBVSCQD-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
CN(c1nnc(CCl)o1)[C@H]1CC(=O)NC1=O	1981040388	DKIDHKPVTZPESH-BYPYZUCNSA-N	244.638	-0.340	50	10	BBGE	
Cc1cc(C)n(-c2ccncc2B(O)O)n1	1981465157	KNWWESLKMXLCDN-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
NNC(=O)CCCN1CCOC[C@H]1C(F)F	1982685565	SKYJGRNYWLXXOW-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](CO)N(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	1988872856	YRQSJAHJTYLXGH-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CN(CCF)C[C@H]1CCC[C@@H](C(=O)NN)O1	1990164316	LIZPYPLLYFCUNP-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
NC(=O)N1CC(CNC(=O)C=CC(=O)Cl)C1	1991650210	AXBOOOJWAGWYLO-UHFFFAOYSA-N	245.666	-0.565	50	10	BBGE	
C[C@H](C(=O)O)N1CC(NC(=O)[C@@H]2C[C@@H]2Cl)C1	1991674165	BJQRXKOSJZIPEA-NJUXHZRNSA-N	246.694	-0.113	50	10	BBGE	
NC(=O)CC[C@@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1991682239	ICKXIZLWGCCEMF-KVQBGUIXSA-N	248.666	-0.551	50	10	BBGE	
Cc1ccn(Cc2c(C(=O)NN)cnn2C)n1	2003506160	PAJQLLMKWYCSNF-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
OB(O)c1cnccc1N1CC(C2CCC2)C1	2004916198	IYFYBTLUMSHQIQ-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
CCC[C@@H]1CCCN1c1ncncc1B(O)O	2004918854	QVLBWTBNFGJUSE-SECBINFHSA-N	235.096	-0.075	50	10	BBGE	
Cc1nc(N2C[C@@H](F)[C@H](C)C2)ncc1B(O)O	2004972506	GXJLRKNFTSYIOO-HZGVNTEJSA-N	239.059	-0.741	50	10	BBGE	
Cc1nc(N2CCC[C@H]3C[C@H]32)ncc1B(O)O	2004974462	KQUPQXDUZFXCPA-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
C[C@H](N)[C@H]1C[C@@H]1C(=O)N1CCC(O)(C#N)CC1	2006354565	XWKQCSJNNHTDQU-AEJSXWLSSA-N	237.303	-0.153	50	10	BBGE	
CN1CC(N(C)C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010832085	FGGOTOJIYCIJJG-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
CON(C(=O)c1ccccc1B(O)O)C(C)C	2022195922	CUFXCNKKOVJUPO-UHFFFAOYSA-N	237.064	-0.222	50	10	BBGE	
CCC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@H]1CO	2025425877	BNKBKOGSIKOJLL-GMTAPVOTSA-N	243.351	-0.047	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H](C)C1	2025520427	FTNRLNUSTRRXLM-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3C[C@H]3C2=O)n1	2050246295	BQVPIBCAFBAVTD-NKWVEPMBSA-N	249.274	-0.998	50	10	BBGE	
CN(Cc1cncn1C)c1ccncc1B(O)O	2052468309	BJMDQORYYDNIMU-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CCc1cc(B(O)O)cc(F)c1[N+](=O)[O-]	2060083887	HALDJKMNKZBHIR-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
C[C@H](COc1ncccc1B(O)O)[C@@H](C)N	2212601015	HLBITPQVUGEECK-HTQZYQBOSA-N	224.069	-0.877	50	10	BBGE	
CC[C@](C)(CO)Nc1ccc(B(O)O)cn1	2212604844	ZSLJDVIWPQLNOB-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccnc(OC2CC(F)(F)C2)c1	2212608328	RVTVOEKBKSSSTL-UHFFFAOYSA-N	228.991	-0.062	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)ccn2)CCC1	2212609497	SIQCWXXFSMFBCY-UHFFFAOYSA-N	217.033	-0.304	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1C[C@H](O)C1	2214594215	DKFAFRJYJZTLOO-HAQNSBGRSA-N	235.092	-0.679	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)C2(C)C	2215874078	SUZPCWPXQQXUHM-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1cc(B(O)O)ccn1	2217176129	RRDSTYUCKDBJKV-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
Cn1cncc1CNc1ccc(B(O)O)cn1	2217177006	DLEVJXPWLHMHKA-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
CCN(c1nccc(B(O)O)c1F)C1COC1	2217180368	GYUIOJKURDXCEE-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
Cc1cnc(N(C)CCCCO)cc1B(O)O	2217180609	VHALCNLOWRQFHN-UHFFFAOYSA-N	238.096	-0.721	50	10	BBGE	
OB(O)c1ccc(NC2CC3(COC3)C2)nc1	2217180713	KFOTUIVYJZINKG-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
Cc1cnc(OCCCN(C)C)cc1B(O)O	2217183810	OIRIFQITSHFHEN-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
CN(CCOc1ncccc1B(O)O)C1CC1	2217184976	XGSBPZDYHACGIC-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
CC[C@H](CNc1cc(B(O)O)ccn1)N(C)C	2217195590	LQVXWKKZSAMLTH-SNVBAGLBSA-N	237.112	-0.487	50	10	BBGE	
CC1(C)C[C@H](Nc2ncc(B(O)O)cn2)CO1	2217201485	PZIGTSCWVYKODZ-QMMMGPOBSA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN(C3CC3)C2)c1	2223629974	XJRWSZAPJUZYRX-SNVBAGLBSA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCNC[C@H]21	2223638757	MTEXEMFLHRUOOH-OPRDCNLKSA-N	247.107	-0.971	50	10	BBGE	
N[C@H]1CN(c2ncccc2B(O)O)CC12CCC2	2223668854	CBLCQMWVKCXAHI-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(c2cc(B(O)O)ccn2)C1	2223671827	QGASEUYKDSISJA-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
NC(=O)C[C@@H]1CCCN1C[C@H](O)CCl	2241683917	MVUZUQGXSZRGRJ-JGVFFNPUSA-N	220.700	-0.074	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2243356903	OLMAQUPUUFPMPF-HZGVNTEJSA-N	222.053	-0.825	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2243362653	UNRPBGPEHKHHSU-MRVPVSSYSA-N	222.053	-0.681	50	10	BBGE	
COC[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CC1	2243364174	SGJJSYRSIKMADA-JGVFFNPUSA-N	227.069	-0.608	50	10	BBGE	
CC[C@H](CO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383152	UVBLIKLWQCDSHT-HRDYMLBCSA-N	229.085	-0.531	50	10	BBGE	
COCC(C)(C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243396223	JHKBGCLHWKLZAC-YUMQZZPRSA-N	229.085	-0.267	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396409	LTMSJDLPLATWID-XHNCKOQMSA-N	226.085	-0.988	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C#CB(O)O)CC[C@H]1C	2243399046	JMBFKLJGFZDUHB-KXUCPTDWSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H](F)C1CCCC1	2243401082	LVWOCOCLWCOOTI-SECBINFHSA-N	227.044	-0.354	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243409228	DBCCSTFMSYGQHF-QMMMGPOBSA-N	226.085	-0.844	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1O	2243410484	CCVPRFQGNUFORT-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CCCN1	2243419887	IKYQREAKAZEJOK-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC(CO)C1	2243420075	MEOOJRJQXOGHOL-PEBLOWIWSA-N	227.069	-0.921	50	10	BBGE	
COC(=O)NCc1ccc(B(O)O)cc1F	2243960520	QTDXQGXINVHPNU-UHFFFAOYSA-N	227.000	-0.639	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2245118790	XTDYDIGBAYBTEB-JBDRJPRFSA-N	227.069	-0.779	50	10	BBGE	
CN(C[C@@H]1CC(C)(C)CO1)C(=O)C#CB(O)O	2247746718	CKKOXDVYBKDZJG-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247750076	DNQHMEWYFRRHLB-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CCNC2(CC2)C1)C1(B(O)O)CC1	2247754611	GQPKVMUQDFJZID-MRVPVSSYSA-N	238.096	-0.606	50	10	BBGE	
C[C@]1(CO)C=CCCN1C(=O)C1(B(O)O)CC1	2247756904	OVWQOMHAAYISJL-SNVBAGLBSA-N	239.080	-0.467	50	10	BBGE	
CCC1(NC(=O)c2cncc(B(O)O)c2)CC1	2247775925	RJXFKMLRKZTLCY-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2247776161	VBPXPJYFHAOORE-JGVFFNPUSA-N	234.064	-0.853	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCNC1	2247784905	CMOJSGOILOILFL-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247797360	ISENZDYQTOIBOX-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1CN	2247798953	YOAAANHXWDGJIZ-QGVKSAJWSA-N	240.112	-0.707	50	10	BBGE	
CC[C@@H](C)N(CC)C(=O)c1c[nH]nc1B(O)O	2247800522	PWFZNMRZNSVWMU-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@H]2O)C1	2247806154	MHJUYOWHQGKKNE-MQIGXGKASA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247810055	UHSNUSPMFRKQMD-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCC[C@H]1O	2247810756	ZWMGPZDBCYSDJZ-YDYPAMBWSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCCC[C@H]21	2247848616	OFUPVUXCMXAPJN-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)cn1C)C1CC1	2247869844	ZEKHNIQVVYKYBK-UHFFFAOYSA-N	236.080	-0.671	50	10	BBGE	
C[C@@H]1OC2(CNC(=O)C3(B(O)O)CC3)CC1C2	2247872035	LOFUDEFSWWURQV-JEUQWKINSA-N	239.080	-0.323	50	10	BBGE	
C[C@H](CF)NC(=O)Nc1cccc(B(O)O)c1	2247981790	YDAHSARQFCLYOX-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2248586308	YYCMZLFOLPAMDB-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
O=C(Nc1ccccn1)c1cocc1B(O)O	2249415769	IRCVSJUHHGXSJJ-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C#CCN(CCC)C(=O)c1cocc1B(O)O	2249417006	ZPZCZRIDMWBAFZ-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ccnnc1	2251561161	SFUGWUPYQQPYRM-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
Cc1ncc(OCC[C@@H]2CCO2)cc1B(O)O	2253185343	WBRJOZCYTOEKBY-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255459415	GQGODOBXUNXETR-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@H]2CC[C@@H]21	2255510151	VHVXAUXSGYUGEW-SCZZXKLOSA-N	248.091	-0.671	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ncccc2B(O)O)C1	2255516573	NIOUCBAPFOGLBO-IUCAKERBSA-N	248.091	-0.320	50	10	BBGE	
C#CCN(C)C(=O)c1c(OC)cccc1B(O)O	2255564813	CYHUZKITCAAZRY-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2CC23CC3)c1B(O)O	2255579598	SVISYBDCHUGKKT-QMMMGPOBSA-N	246.075	-0.648	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1ccc(B(O)O)o1	2255669717	SJNVCRQKMASBDE-PELKAZGASA-N	249.075	-0.121	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)cc1C	2255677832	LGFXAKFNJJVRQZ-LLVKDONJSA-N	245.087	-0.184	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ncccc1B(O)O	2255692489	VTOZUCLRKWKSED-MRVPVSSYSA-N	247.063	-0.817	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CC[C@H]1C2	2255732196	RFEXXWWUZJYDJL-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1C[C@@H]2C[C@H]2C1	2256017031	CMIDXBQSUAVSBS-YUMQZZPRSA-N	247.059	-0.836	50	10	BBGE	
O=C(Nc1ncccc1F)c1cocc1B(O)O	2258129262	VDOZJIXJYDCZAI-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@@H](C2)C1	2258130008	AFQUKTVYJXBIKA-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1cocc1B(O)O	2258131486	VEWNBSUBSDUPCB-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
O=C1N[C@H]2CN(C[C@H](O)CCl)C[C@H]2O1	2297048772	YPPOHLCIBZNJPV-DSYKOEDSSA-N	220.656	-0.621	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C[C@@H]1CC[C@H]1C(=O)NN	2298165347	VAQGDTNYAQFKGX-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
C[C@H]1CN(C)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165714	SWXLVSORPWNOCQ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2CCO[C@@H]2C1	2298167053	XCHNNCUMROOGQN-XWLWVQCSSA-N	239.319	-0.277	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2[C@H](O)CC[C@H]2C1	2298368856	AMJMUBAPYZHTRA-SRQGCSHVSA-N	239.080	-0.921	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2NCC[C@H]12)C1(B(O)O)CC1	2298375161	UAUJQTZIVNIFSL-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@H]2O	2300146681	KQRABAGIZLQFGB-JDDHQFAOSA-N	239.080	-0.779	50	10	BBGE	
C=C(C)CC(=O)NCc1ccccc1B(O)O	2302849681	OFYJJPYVUOPEFE-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
CCNCCCOc1ccc(B(O)O)cc1C#N	2317208570	ZRDDHLJMXRPPQZ-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNCCOC	2324722304	YGWRVOGASMUAJT-UHFFFAOYSA-N	241.291	-0.217	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]1[C@H](O)C2	2325332732	SXNCHUMWUOWKOB-INTQDDNPSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1cccc(F)c1	49819904	ZCDIKRQGOZVOBY-ZCFIWIBFSA-N	225.223	-0.066	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccsc1	61371227	KZDFFJXBMWNJCY-RXMQYKEDSA-N	213.262	-0.085	50	10	BBGE	
Cn1cnnc1CNC(=O)CBr	68890543	SJZSVMJFDGGEHE-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
C[C@@H]1Nc2ccccc2N(CC(=O)NN)C1=O	76890678	OKPBCOBYJVZJDZ-ZETCQYMHSA-N	234.259	-0.177	50	10	BBGE	
N#Cc1ncn(Cc2ccccc2C(=O)NN)n1	110603439	GOZRMSAXSZMFIW-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H](C)CO	125435964	CTOYWZSAAGGPON-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
Cn1cnn(CCOCCCl)c1=O	128284921	XCWUUYUVBYNVLS-UHFFFAOYSA-N	205.645	-0.163	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CCOC1	134790836	RPFMJUOUYKVYGH-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CCN1CCN(C[C@H](O)CCl)C(=O)C1=O	163060396	ZMSRTXMFRGJOSU-SSDOTTSWSA-N	234.683	-0.723	50	10	BBGE	
[N-]=[N+]=NC[C@H]1Cc2cc(B(O)O)ccc2O1	195957793	XVOKLXDTVPYQOE-MRVPVSSYSA-N	219.009	-0.020	50	10	BBGE	
C[C@H]1COCCN1Cc1cccc(B(O)O)c1	199008087	UTLNKXRQWAUMEE-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
NC(=S)NNC(=O)CCOCC(F)(F)F	232352265	GSWPRHYDJHOXTL-UHFFFAOYSA-N	245.226	-0.180	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H](O)CCCO	238422963	QRWDUDNASLOFLT-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
COc1nncc2cc(B(O)O)ccc12	238439193	YEQBALHZFVDAKQ-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN(C)C[C@H]1C	300355302	NKGORCKIWAUHRC-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NC(=O)NC1CCN(C(=O)CCl)CC1	306831503	MQKTVAHIKQJKTE-UHFFFAOYSA-N	219.672	-0.116	50	10	BBGE	
NC(=O)NN=C1C=CC(=O)C=C1CCO	308679102	XVXHHWWRGYSLTG-UHFFFAOYSA-N	209.205	-0.542	50	10	BBGE	
CO[C@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	308886029	WVILLVRGGOYMAS-PSASIEDQSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	308928106	QNXPQDOMRWIUOZ-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CCN1CCCN([C@H](C)C(=O)NN)[C@@H](C)C1	320680077	KZJCZGIHLPMSLD-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CO)SCc1nc(C(=O)NN)co1	386926957	FGQOVXLCJDWENA-YFKPBYRVSA-N	231.277	-0.108	50	10	BBGE	
COCC(COC)N1CC(=O)OC(=O)C1	388502227	IXQAJODLAHPIGK-UHFFFAOYSA-N	217.221	-0.967	50	10	BBGE	
Nc1cc2cc(B(O)O)c(C=O)cc2s1	396251914	HSSLHBMGCWUFEY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)[C@H](C)CO1	403829794	PROQSIBQJICVIN-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
CC(=O)N(C)Cc1cccc(B(O)O)c1	404935561	HPJYPWDVMNPKTF-UHFFFAOYSA-N	207.038	-0.655	50	10	BBGE	
CCN1N[C@H](Br)N=C1NN	605686287	JELKVTFMZFFURV-GSVOUGTGSA-N	208.063	-0.676	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@H]2C1	685958283	WKEYGAKNJVVDLE-WDSKDSINSA-N	205.208	-0.437	50	10	BBGE	
Cc1noc(C=NNC(N)=O)c1[N+](=O)[O-]	687760652	NPAUJEFPUFOWEI-UHFFFAOYSA-N	213.153	-0.107	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1C	690064216	AAEUPURTEIPAAW-GXSJLCMTSA-N	249.075	-0.352	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnc(N)nc2)CC1	692179500	WVFBZQGJVAXULI-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
Cc1nccnc1CN(C)[C@@H](C)CC(=O)NN	700076916	CKJJXJWJAXKYHK-QMMMGPOBSA-N	237.307	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1(C)COC1	702969995	RGODGAHPXVCFAI-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H](N)C2)CC1	703549602	VFOYSVCCNZCYSF-KYZUINATSA-N	223.276	-0.399	50	10	BBGE	
Cc1cc(C(=O)Nc2ccccc2B(O)O)n[nH]1	716658626	XXGHWZNLNMOOEK-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cnn[nH]1)C1CC1	747908105	UVKLREJGFHGCAZ-RXMQYKEDSA-N	223.236	-0.388	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)c1cnn(C)n1	888082206	QHHUTCASVOTDQE-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H](O)C1CCOCC1	910161917	AHBMSDXEXQTWKF-WPRPVWTQSA-N	246.307	-0.882	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)C(C)C	1135735370	GTVOFJAFBMABGW-QMMMGPOBSA-N	212.249	-0.172	50	10	BBGE	
Cn1cc(C(=O)NNC(=S)NC2CC2)nn1	1326943395	JOMQTIWHMBYLNQ-UHFFFAOYSA-N	240.292	-0.914	50	10	BBGE	
CC(=O)NNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl	1440721504	IMSMWFZBMVJHLM-UHFFFAOYSA-N	247.598	-0.248	50	10	BBGE	
Cn1ccc(NC(=O)c2cccc(B(O)O)c2)n1	1463755938	IIHJAMOVDMJMIE-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
COc1ccnc(NNC(=O)Cc2cnc[nH]2)n1	1464111179	JXNTVGXHGULNGK-UHFFFAOYSA-N	248.246	-0.106	50	10	BBGE	
C/C(C#N)=C\CN1[C@H](C)C(=O)N(C)S1(=O)=O	1473022307	YDHLMKDDSZNFOS-RXLGXGPVSA-N	243.288	-0.136	50	10	BBGE	
Cc1c(C(=O)NNc2cccnn2)nnn1C	1623748897	REGDBWMEBDTHSU-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cc(CO)on1	1624941064	ARQIGJSZMBBVEN-UHFFFAOYSA-N	234.215	-0.259	50	10	BBGE	
NC(=O)[C@H](N)C[C@@H]1C[C@H]1Br	1877473331	RKOSKHLGUNOZPG-VPENINKCSA-N	207.071	-0.028	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)N	1880023172	JUILCFWHKXELQN-BQBZGAKWSA-N	247.295	-0.407	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C[C@H](O)CBr	1880273152	VNSQHSXPQMRKOH-QYNIQEEDSA-N	224.098	-0.193	50	10	BBGE	
NC(=S)CS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883566234	HXKFPEJMCKPAEB-UHNVWZDZSA-N	242.753	-0.181	50	10	BBGE	
CS(=O)(=O)N1C[C@@]2(N=C=O)CC[C@H]1C2	1888393868	SMTJBNRSYBXRIP-JGVFFNPUSA-N	216.262	-0.111	50	10	BBGE	
C[C@@](F)(C(=O)NNCCO)C(F)(F)F	1888972703	HJYQAYMZIYTZOM-RXMQYKEDSA-N	218.150	-0.110	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCO1	1889800471	WQKIGRSPRXPUQM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)[C@@H](CO)N(C)CCC(=O)NN	1890273284	PNCIQUHHBKAWIB-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
COCC1(O)CC(C(=O)NN(C)C)C1	1892566079	WJJXAPWEEQSYEI-UHFFFAOYSA-N	202.254	-0.633	50	10	BBGE	
O=C(N[C@]1(CO)C[C@H](O)C1)[C@@H]1C[C@@H]1Cl	1893763363	ZOLGWPIPASMODE-JAKMQLQISA-N	219.668	-0.384	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCO[C@@H]21	1893939105	RQXADCNWVJJOGA-XKSSXDPKSA-N	213.281	-0.667	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]1C(F)(F)F	1897282828	BGMJHQYOEUYZQT-RITPCOANSA-N	234.970	-0.684	50	10	BBGE	
C=C(Cl)CONC(=O)c1cc(B(O)O)c[nH]1	1899453073	GFCVKSXVZJAKTK-UHFFFAOYSA-N	244.443	-0.892	50	10	BBGE	
CN(NC(=O)[C@H](N)CC1CCC1)S(C)(=O)=O	1901343359	CJFGFJSNNPYONL-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCOCCC#N)C1	1902515155	CLFPFPGIFXAIGF-JTQLQIEISA-N	226.085	-0.145	50	10	BBGE	
OB(O)c1csc(CN2CC(C(F)F)C2)n1	1902642959	VZNIZTFBYLGYPL-UHFFFAOYSA-N	248.063	-0.480	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1[C@@H](C)CC(=O)NN	1905541961	FZJXEGDOHVOVSB-ZETCQYMHSA-N	234.259	-0.031	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2CCCCC(=O)NN	1908889944	IQQSLPIJRJJDNB-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC(F)(F)C2)O1	1909808326	MASJNNUFFRBRSS-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@H]1CCNC1=O	1916201604	FSBHXMYHAZIOLW-RQJHMYQMSA-N	201.657	-0.062	50	10	BBGE	
NNC(=O)CN1CC[C@@H](CC(F)F)C1	1916671935	JOQXOLVHYASNRD-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CN(C(=O)CBr)[C@@H]1CCNC1=O	1916826058	MNZKSMXABAQFNF-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@@H]1CCNC1=O	1916840727	XXTITPSUDZELTM-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
CCCN(CCO)C[C@H]1C[C@@H]1C(=O)NN	1927914633	WMVFDDOJXVOAAB-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1928556865	NPNKMJHXQPWAQB-WEDXCCLWSA-N	213.281	-0.931	50	10	BBGE	
CC(C)(C)OC(=O)N(N)CCC(N)=O	1930117255	AGSRXZLUGRMSML-UHFFFAOYSA-N	203.242	-0.027	50	10	BBGE	
COC[C@H]1[C@H]2CN(CC(=O)NN)CC[C@H]21	1930162992	BLOFTHGSGFZFJM-HRDYMLBCSA-N	213.281	-0.809	50	10	BBGE	
NNC(=O)C(=O)N1CCCSC[C@@H]1C1CC1	1935863809	LIOLGEZCDKAEMH-MRVPVSSYSA-N	243.332	-0.280	50	10	BBGE	
COCC(COC)OC[C@@H]1C[C@H]1C(=O)NN	1936089367	BLDYUOOSWYKKQK-IONNQARKSA-N	232.280	-0.710	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)Cn2cnnc2)C1	1937194488	RHOXTQFVMSHURQ-JGVFFNPUSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COC[C@@H]2C1	1940890476	GEJPTIMAIZWSCF-SFYZADRCSA-N	249.261	-0.420	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C2CCC1(CO)CC2	1941088355	PSPZXYVUGDHZCV-ZSWLNHAKSA-N	239.319	-0.398	50	10	BBGE	
CC(C)n1ccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1941090233	YWFAOACILSMMBI-RKDXNWHRSA-N	238.291	-0.143	50	10	BBGE	
CCCN(CCOCC(=O)NN)CCN(C)C	1941774618	LBAAZMYALWASEU-UHFFFAOYSA-N	246.355	-0.734	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	1943070347	KCOJTJSAIVPEIP-MRTMQBJTSA-N	241.335	-0.439	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@H]3C2)CC1	1945883146	UUAOZKAXHWFXBZ-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
CCCn1nncc1CN(C)CCC(=O)NN	1950439655	WADVTCZADCKZQJ-UHFFFAOYSA-N	240.311	-0.500	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccc(S(N)(=O)=O)cc1	1952822165	WGSHZHDXIMJHTM-IUCAKERBSA-N	241.272	-0.782	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CN(C2COC2)C1	1956849536	ZYLWZSDMXHOCJH-ZCFIWIBFSA-N	218.684	-0.187	50	10	BBGE	
CC(C)CSc1ncncc1B(O)O	1956965788	MJBJNCKWNZZXQC-UHFFFAOYSA-N	212.083	-0.096	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)[C@H](O)Cc1ccccc1	1959175976	GIUXOWHDQGOIIY-MXWKQRLJSA-N	206.245	-0.198	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(CCCC(=O)NN)C1	1976441973	SDGJLCUUSMHQBA-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@H]21	1978773149	AQDQOKQMDPNBCW-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
CCC[C@H]1CCOCCN1C(=O)C(=O)NN	1979821367	MSFRQPRQZWFEHH-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@@]2(O)C1	1980982009	MSGURJSQTDCOIQ-POYBYMJQSA-N	235.234	-0.932	50	10	BBGE	
C=CC[C@@H](C)Oc1ncc(B(O)O)c(C)n1	1981424039	MZZRFPGVBWCXOC-SSDOTTSWSA-N	222.053	-0.192	50	10	BBGE	
CCCN(OC)c1ncc(B(O)O)c(C)n1	1981448097	XRDVHOMADFJJMQ-UHFFFAOYSA-N	225.057	-0.757	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCn1cc(B(O)O)cn1	1987333077	BFAOTBKTIQFCPI-SCZZXKLOSA-N	224.069	-0.622	50	10	BBGE	
CSC1CC(N(C)CC(=O)NNC(C)=O)C1	1990774666	MALJYDUFSBNCOT-UHFFFAOYSA-N	245.348	-0.021	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1COCC1(F)F	1991600457	ASNHYYJITZVSPL-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CN1CCNC[C@@H]1CNC(=O)C=CC(=O)Cl	1991652574	ORBVVAWCJAUQHL-MRVPVSSYSA-N	245.710	-0.672	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1991687685	WAJXNXCFEAYZFH-VGRMVHKJSA-N	247.678	-0.092	50	10	BBGE	
CN1CCN(c2nnnn2C)[C@@H](CCCl)C1	1993933459	OUICFBWODRAKBT-QMMMGPOBSA-N	244.730	-0.041	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3CCl)n1	1993989498	PSNQVECMUZQBRQ-QYNIQEEDSA-N	241.682	-0.091	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)C[C@@H](C)C1	1997243113	DKFLUFVROHQNCW-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
COc1cc(CN(C)[C@H](C)C(=O)NN)ccn1	2002021323	NKVYCVMTKQNQRO-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
C[C@@H](Cn1ccnc1)Cn1cc(B(O)O)cn1	2003626462	CRFXMXNPFHOSNY-VIFPVBQESA-N	234.068	-0.904	50	10	BBGE	
CC(C)[C@@H]1CCCN1c1ncc(B(O)O)cn1	2004911283	FEWRGWSILGYSRP-JTQLQIEISA-N	235.096	-0.219	50	10	BBGE	
Cc1ncnc(O[C@@H]2CCCOC2)c1B(O)O	2004925575	RWBBWMCRKKCRQT-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
CC1(C)C[C@H]1CCOc1ncncc1B(O)O	2004934464	FMHFIICWPBJJPY-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
Cc1nc(N2CC(C(F)F)C2)ncc1B(O)O	2004973486	VRCUYRUEWBKSOL-UHFFFAOYSA-N	243.022	-0.834	50	10	BBGE	
Cc1cnc(Sc2cnn(C)c2)c(B(O)O)c1	2004990479	IDPRWVCDZWRINU-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
C[C@H](COc1ccc(F)cc1B(O)O)N(C)C	2008378495	LGTCHKIAUOMDQH-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
O=C1CN([C@@H]2CO[C@]3(CCOC3)C2)CC(=O)O1	2009151030	UCEUDZOSJUVSQD-GZMMTYOYSA-N	241.243	-0.680	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(=O)NC[C@@H]1C	2010567209	BYRCJTTTWJVPLA-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H](O)C[C@@H]1COCCN1CCCC(=O)NN	2013007715	ZLALGMWIDZWFEF-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CCn1cc(NC(=O)NCC=CB(O)O)cn1	2020067610	JIAPDKVPFQWLOR-UHFFFAOYSA-N	238.056	-0.407	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2022199665	HYUURIGRHXHONN-VIFPVBQESA-N	233.076	-0.152	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1cnco1	2031811524	REZCIYAVZZVAHQ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
Cc1nc(C(=O)Nc2cccc(B(O)O)c2)co1	2031813522	JMFAKNIKDJDTIG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2052463202	SYCDEXNOSNFVKB-TUTUZKQUSA-N	244.103	-0.148	50	10	BBGE	
CCOc1cc(B(O)O)c(C=O)c([N+](=O)[O-])c1	2060142198	XTOCHHAXRKVUOZ-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCOc1c(B(O)O)ccc(C#N)c1C=O	2060177012	RUMHDQHRXIFVRI-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCN(Cc1cc(B(O)O)cs1)C1COC1	2211077788	HHNCTCAWECYDAY-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
COc1ccncc1N1CC(=O)OC(=O)C1	2211092422	PFRWLVKNRYWCTP-UHFFFAOYSA-N	222.200	-0.020	50	10	BBGE	
CC(C)[C@@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2211765135	NCBWXWJYQUCFAR-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
C[C@]1(CO)C=CCN1C[C@@H]1C[C@@H]1C(=O)NN	2211783891	XSOPACVBNCWPFM-ATZCPNFKSA-N	225.292	-0.765	50	10	BBGE	
NNC(=O)C1(CSc2nncn2N)CCC1	2212248246	UMANMNSQVJVFRZ-UHFFFAOYSA-N	242.308	-0.756	50	10	BBGE	
C=CC[C@H]1CCN1c1ncc(B(O)O)cn1	2212601491	ORBUJOXPVMMMSQ-VIFPVBQESA-N	219.053	-0.689	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1cc(B(O)O)ccn1	2212603928	RYQRCMBKUGLBSX-YUMQZZPRSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H](N)[C@@H](C)Oc1nccc(B(O)O)c1F	2212608550	UFCLYMJJCMTJBW-PHDIDXHHSA-N	228.032	-0.985	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCOC2)c1	2212612228	IOYFBXCMSPEZQC-QMMMGPOBSA-N	222.053	-0.790	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1ncccc1B(O)O	2212612449	IUYNNBGZWGTMOC-DTWKUNHWSA-N	222.053	-0.980	50	10	BBGE	
CCC[C@@H](O)CNc1ncccc1B(O)O	2212616062	ZDOZWYKASHURLL-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC(OC(F)F)C1	2215771720	JNXNHIIBGHRXOC-POYBYMJQSA-N	249.261	-0.074	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1CC[C@H]1C(=O)NN)C1CC1	2215773633	TUYYXQDPPNXWKK-ATZCPNFKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CC1(C(=O)NN)CCC1	2216532551	PHAOUUCEAVAMJC-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1ccc(NC[C@]23COC[C@H]2C3)nc1	2217171535	BNZOHBSZTGPNPY-LDYMZIIASA-N	234.064	-0.790	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC2CCC2)c1F	2217178830	BGZLHIBBGDNGEO-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
Cc1cnc(OC[C@H]2CCCN2)cc1B(O)O	2217183230	KBHMHHDLZKWMPZ-SECBINFHSA-N	236.080	-0.799	50	10	BBGE	
CC(C)[C@H](CN)COc1ccc(B(O)O)cn1	2217184152	NKIXZCMUPSUXQX-SECBINFHSA-N	238.096	-0.629	50	10	BBGE	
N#C[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2217203549	WPYQVOJMHNEVFN-VIFPVBQESA-N	231.064	-0.499	50	10	BBGE	
Cc1cnc(O[C@]23CNCC[C@H]2C3)cc1B(O)O	2223620692	PDIVDYWTZGVFRQ-JOYOIKCWSA-N	248.091	-0.799	50	10	BBGE	
Cc1cnc(CNc2cc(B(O)O)c(C)cn2)[nH]1	2223647963	FYLKJVDPWKIDLK-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
C=C[C@@]1(Oc2ccc(B(O)O)cn2)CCCNC1	2223652139	BWPFUVCBNKZEAI-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
OB(O)c1ccc(NCC23COCC(C2)C3)nc1	2223654288	ZHNMEHAXIPHWJR-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
NC[C@H]1CCC[C@H](Nc2ncccc2B(O)O)C1	2223674611	MGNXGUROGKHNKQ-UWVGGRQHSA-N	249.123	-0.309	50	10	BBGE	
Cc1ccc(Oc2ncc(B(O)O)cn2)c(C)n1	2223752733	HZHOAQFMIIYOTH-UHFFFAOYSA-N	245.047	-0.039	50	10	BBGE	
CC(C)[S@](C)(=O)=NC(=O)C#CB(O)O	2241479057	QQCJIEDQHOPGCP-AWEZNQCLSA-N	217.055	-0.965	50	10	BBGE	
CCON(CC)C(=O)[C@H]1C[C@H]1B(O)O	2241495602	LGTUVEVFQJBOBF-NKWVEPMBSA-N	201.031	-0.351	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]1Cl	2241574987	FBRIYZSAUUQBGM-PHDIDXHHSA-N	203.434	-0.702	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(O)(CCO)C1	2241811198	MTCNWOBMBVCRQI-SSDOTTSWSA-N	221.684	-0.041	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	2242172473	IJZIUYDBTSQZST-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1sccc1B(O)O	2243376751	OSCLUHQWNNNAOW-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CC[C@@H]1N	2243392579	VDZFXBLXZAHILO-ABIFROTESA-N	226.085	-0.813	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)C1(B(O)O)CC1	2243397390	AAZWEAXVTOXQKP-XLPZGREQSA-N	225.053	-0.856	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1csnc1B(O)O	2243403982	HDMAUXLFWAPYPI-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2(CC2)CO1	2243417877	XVYFBWIFGCRJIK-UHFFFAOYSA-N	225.053	-0.207	50	10	BBGE	
CCOC[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420058	LWBDJJFXLUWQIG-IWSPIJDZSA-N	229.085	-0.219	50	10	BBGE	
O=C(NCCOCC(F)F)[C@H]1C[C@@H]1B(O)O	2243427302	SVQWRVHZGURWRJ-WDSKDSINSA-N	237.011	-0.753	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2243755085	IZOZYYZKVWDTOG-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
C#CCCOCc1nn(C)cc1C(=O)NN	2243888516	KBZILSOLACOZOZ-UHFFFAOYSA-N	222.248	-0.437	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1CSC1	2244212253	NJYHRJROVHLGOI-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C#CCN(C(=O)c1coc(B(O)O)c1)C(C)C	2247737846	KXQITUNNWRLODJ-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ccc(B(O)O)o1	2247743872	KUFSYHSDGDAEPB-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
CCCN(O)C(=O)c1cccc(F)c1B(O)O	2247758029	KLUQUOOGLOHPBF-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@]2(O)C[C@@H]2C1	2247786769	GHSQFGQAASWUNZ-SDNRWEOFSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247786907	ILNIEBUJSTXMMX-QCLAVDOMSA-N	241.096	-0.341	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2F)ccc1B(O)O	2247852882	BIXNGMFQDFAVDP-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
CON(C(=O)C1(B(O)O)CCC1)[C@@H]1CCNC1	2247854083	XCDKPARCSLTBIU-MRVPVSSYSA-N	242.084	-0.865	50	10	BBGE	
CC1(C)CO[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247858814	HXNDMJKWUXCOCN-DJLDLDEBSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CCCNC2)C1	2247860228	UBSLHIVQLKJCAM-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CN(Cc1cncn1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247886609	DJIFPUGXSRNSSG-RKDXNWHRSA-N	237.068	-0.759	50	10	BBGE	
O=C(N[C@@H]1CCN2CC[C@H]1C2)[C@H]1C[C@@H]1B(O)O	2247886958	IIEPBFBCGTUPAY-AATLWQCWSA-N	238.096	-0.940	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247888082	VTGCLVIKWJSRSM-SOYHJAILSA-N	238.096	-0.955	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247899856	QSXHSEIERMRUSU-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2OCC[C@@H]2C1	2247908890	BNCJSYMORBNSGV-SEZDTBSWSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H](CF)NC(=O)c1cc(B(O)O)ccc1O	2248032995	OYQCZCBSEXCRQC-LURJTMIESA-N	241.027	-0.840	50	10	BBGE	
C[C@@]1(F)CCN(C(=O)c2cocc2B(O)O)C1	2249409497	KBWUHLUFVRZMHL-SNVBAGLBSA-N	241.027	-0.467	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1cc(B(O)O)co1	2249415920	KNDHPYNYKRJGLT-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CCC[C@@H]21	2249416307	PPDWNEJVWFBWED-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2cocc2B(O)O)C1(F)F	2249429825	YAIZWYRDEPLNQI-FFWSUHOLSA-N	244.990	-0.657	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2250322856	GSCMCKICUWQOAP-KHWQERMQSA-N	239.080	-0.921	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1coc(B(O)O)c1	2255454681	XSBJYTKIIANFMH-ZJUUUORDSA-N	249.075	-0.122	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1coc(B(O)O)c1	2255456960	WEZATTDLZJUGAL-IONNQARKSA-N	248.047	-0.619	50	10	BBGE	
C#CCOc1cccc(NC(=O)C#CB(O)O)c1	2255678918	IZYNIXIOLLIDHC-UHFFFAOYSA-N	243.027	-0.348	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1	2255726486	DFTOSQMTNGYKPG-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
CC(C)C1(NC(=O)c2ncc(B(O)O)cn2)CC1	2255781220	KJCRHFQYSXBCFF-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)cc2O)CC1	2255954644	BQVWBXGOOJGXQC-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccco1	2298369293	PUVYTQNNVHUDEO-CSMHCCOUSA-N	238.052	-0.742	50	10	BBGE	
O=C(NC1([C@H]2CCCO2)CC1)[C@H]1C[C@H]1B(O)O	2298369596	ZJQVHXMQBISVSO-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370495	AFPVXZXUFSVISF-IMSYWVGJSA-N	240.112	-0.375	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2298370641	FQZFMUQQSJHSQF-IKWTUWAXSA-N	235.092	-0.038	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCCO1	2298374922	SWFXSZXCZQHZDM-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](CN)C1	2298376335	SKKBWXUBBXVLCT-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCN2CCOC2=O)C1	2303159332	GCLGWTJWLCWSJO-JTQLQIEISA-N	242.084	-0.623	50	10	BBGE	
CC(C)N(CCO)c1cc(B(O)O)c(F)cn1	2303847129	DIANFNKJASDNKN-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1cc(B(O)O)c[nH]1	2307183249	XNHTZKJUVZCANW-WRXNHJIOSA-N	240.043	-0.828	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308213	IHVHFELBIHDJQN-VXGBXAGGSA-N	249.075	-0.232	50	10	BBGE	
COC(=O)CNC=C(C#N)C(=O)NC(C)C	2324521414	VNDYKXPLRFOVND-UHFFFAOYSA-N	225.248	-0.319	50	10	BBGE	
NNC(=O)C(=O)NCCCOc1ccccc1	52092679	LXXDRSGIDGKYSQ-UHFFFAOYSA-N	237.259	-0.438	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCC#N)CCOC	82468790	PTWYBEXSYCBTIH-VIFPVBQESA-N	228.296	-0.383	50	10	BBGE	
CN1CC[C@H](NS(=O)(=O)CCl)C1	82513079	XIQKCOBKJMNLKY-LURJTMIESA-N	212.702	-0.194	50	10	BBGE	
Cc1cc(=O)n([C@@H](C)C(=O)NN)cc1[N+](=O)[O-]	92803293	PWSTXXSJEYEDGG-LURJTMIESA-N	240.219	-0.384	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1CC(C)(C)C(=O)NN	93728078	OIVYOQPBFURZHK-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)Cn1ccc(-c2ccncc2)n1	101272309	XYVAZPRNTFZVRV-UHFFFAOYSA-N	217.232	-0.065	50	10	BBGE	
COCCOCc1ccc(OC)c(B(O)O)c1	199004683	SDEAZROMDKZXSG-UHFFFAOYSA-N	240.064	-0.462	50	10	BBGE	
COC(=O)N1CCC[C@@H](C(=O)NN)C1	214296841	VBYHEZVYSMKYCU-ZCFIWIBFSA-N	201.226	-0.545	50	10	BBGE	
C[C@@H](CN1C[C@@H](N(C)C)[C@H](C)C1)C(=O)NN	227251228	JDILUVSTBUELMU-KXUCPTDWSA-N	228.340	-0.506	50	10	BBGE	
C[C@H](CO)SC[C@H]1CC[C@@H](C(=O)NN)O1	227896713	AZRGFJBCOILTAA-PRJMDXOYSA-N	234.321	-0.362	50	10	BBGE	
CC(C)CNC(=O)CN(C)[C@@H](C)CC(=O)NN	228299761	CZYYJNGUNMCBRI-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
CN(C)CCCOc1ccc(B(O)O)c(F)c1	228684654	WNWPJFLZOJMKIM-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
CCN(C[C@H]1CCCO1)[C@@H](COC)C(=O)NN	232419654	ZDEVWEVQEOPCRD-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)c1ccccc1C#N	232420571	DYXYZSNTWBRLQZ-LLVKDONJSA-N	248.286	-0.001	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)NNC(N)=S	233941767	ZWPSHBSUEWBPSK-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
O=S1(=O)CCCN(C[C@@H](O)CCl)CC1	236518883	NBTOQAXXGWISBB-QMMMGPOBSA-N	241.740	-0.293	50	10	BBGE	
C[C@H]1CN2CCC[C@H]2CN1CCC(=O)NN	251528244	AFVIIWBEISOPIQ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@H](C)C(=O)NN)C1	252788845	XJLGQMIDRFSSMX-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
CNNC(=O)C[C@H](N)c1ccc2[nH]c(=O)[nH]c2c1	259196950	YKOBBNONXFGGLQ-ZETCQYMHSA-N	249.274	-0.503	50	10	BBGE	
CS(=O)(=O)CC1=NC(C#N)=CS1(=O)=O	259953762	FWBXPFNBOVHECY-UHFFFAOYSA-N	234.258	-0.777	50	10	BBGE	
COc1cc([C@@H]2C(=O)NC(=O)[C@H]2Cl)nn1C	300886760	AWZUOUGOEPOYFE-BQBZGAKWSA-N	243.650	-0.224	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C	307010783	OHMRURFLSZZQLT-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
Nc1csc2ccc(B(O)O)c(O)c12	307026021	IRMODDSAHFBYIX-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)NNC(N)=S	307661302	GIOSWGNOXHTOBQ-UHNVWZDZSA-N	202.283	-0.168	50	10	BBGE	
CC(C)(CN1CCN2CC[C@H]1C2)C(=O)NN	381793229	NXEXHDJHXZCAOJ-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(C(N)=O)C2)cc1	382082967	QXMGUBOQALPKOL-UHFFFAOYSA-N	248.286	-0.793	50	10	BBGE	
Cc1ncc(N2CC(=O)OC(=O)C2)cn1	384153565	HPCBNEZYYCICHI-UHFFFAOYSA-N	207.189	-0.325	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@@H]2COC[C@H]21	384772406	BQSZNHMARLHJGY-IWSPIJDZSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)CCCl)C(N)=O	393688885	ZULBADIYGNZJNY-RXMQYKEDSA-N	235.671	-0.295	50	10	BBGE	
Nc1csc2c(C=O)cc(B(O)O)cc12	396246517	CNYAMVUIIQAEMG-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H]1COCCN(C[C@H](C)C(=O)NN)C1	399673981	OMOYBSVPQRWGQQ-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC[S@@](C)=O	399917910	OVELFUJCJPPGHP-ANRSDYALSA-N	235.353	-0.689	50	10	BBGE	
NNC(=O)CCCN(CCCO)C1CC1	404258405	UCDGPWRPBNYCAK-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
CCCNC(=O)NCc1sccc1B(O)O	405171675	VNMIAHXEFOGEDJ-UHFFFAOYSA-N	242.109	-0.363	50	10	BBGE	
C[C@H](N)CSCC(F)(F)C(=O)NN	685958159	REQFXBPUPMOSJI-BYPYZUCNSA-N	213.253	-0.308	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@H]2CCCC[C@H]2N1	685990251	HANQCZLOMRHKEK-AEJSXWLSSA-N	226.324	-0.548	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)CC(=O)NN)[C@@H](C)O1	686389325	QSSAHHAEDNULJW-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@H]1CCCO1	686729039	SMWFMLUHQRLLDX-NSHDSACASA-N	238.048	-0.110	50	10	BBGE	
C[C@@H](N)CC(=O)N1CCC(O)(C#N)CC1	692113546	LBRWZVDFZXEHLY-MRVPVSSYSA-N	211.265	-0.399	50	10	BBGE	
O=C1CN(C(=O)OCCl)CC(=O)N1	692899410	HRIQODDPFIUFHQ-UHFFFAOYSA-N	206.585	-0.722	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC2(F)F)c1	694530966	IZZBLMBXZYJPRG-YFKPBYRVSA-N	201.969	-0.782	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@@H](N)C1	695085749	DUNPBOKTGMCTNT-NXEZZACHSA-N	228.340	-0.186	50	10	BBGE	
COC[C@H](COCCC(=O)NN)OC	695706837	BJWGPSZRTNDEPW-SSDOTTSWSA-N	206.242	-0.956	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC2=O)nc1	696373501	CXMJLMYHFGTCDP-UHFFFAOYSA-N	235.247	-0.790	50	10	BBGE	
CO[C@@](C)(CCl)CNC(=O)c1nnn(C)n1	702530605	BMMNNBWDHJBELC-QMMMGPOBSA-N	247.686	-0.416	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(OCC(F)F)C1	707396326	IWSPCVZAAHOXIA-LURJTMIESA-N	237.250	-0.279	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)CC(=O)NN	710947751	RMCCZOLKJQBGRD-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CCn1nnnc1CNC[C@H](Cl)CN(C)C	717368216	QWZDMCSVRXIXKO-QMMMGPOBSA-N	246.746	-0.048	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@]1(C)CO	723021814	AWXMOVPQPQNCBJ-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
O=C(N[C@H]1COCC[C@@H]1Cl)C1=NCN=C1	725690803	VOUJOJXYTBGXAY-XPUUQOCRSA-N	229.667	-0.018	50	10	BBGE	
O=C(NN=C[C@H]1CCOC1)[C@@H]1COCCO1	745207805	HNLKOEXICISDLN-BDAKNGLRSA-N	228.248	-0.460	50	10	BBGE	
CCN(OC)C(=O)CNS(=O)(=O)CCl	828165787	XKDLHQIRLJAUKT-UHFFFAOYSA-N	244.700	-0.488	50	10	BBGE	
CC1=NO[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	854636204	IDANSHAGRVVKLL-SFYZADRCSA-N	241.247	-0.522	50	10	BBGE	
CSCCC(=O)NNC(=O)c1cc[nH]n1	855362053	MPLCLGYVPFJTRG-UHFFFAOYSA-N	228.277	-0.076	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CO[C@H](C)C2)n1C	856047025	VXUZBNLXWQOLMW-HTRCEHHLSA-N	239.279	-0.008	50	10	BBGE	
O=C(CO)NNC(=O)[C@]12CCC[C@H]1OCC2	872272510	HYYWFOUZDOEIKG-XCBNKYQSSA-N	228.248	-0.915	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)C1CCC1	900658126	GNZATFRTGNEWPS-DLRBJTRDSA-N	212.249	-0.129	50	10	BBGE	
C=C[C@@H](C(=O)O)N1C[C@@H](Cl)C(=O)NC1=O	952960766	QJRYZLCNWYWWOM-UHNVWZDZSA-N	232.623	-0.215	50	10	BBGE	
O=C1N[C@@H]2CNNN2[C@@H]2CC[C@@H](Cl)C[C@H]12	953054996	LEWHXSZSXLNXAB-CWKFCGSDSA-N	230.699	-0.457	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NCC1(C)CCC1	1340108124	ABIBQRINJCEDTI-UHFFFAOYSA-N	243.263	-0.320	50	10	BBGE	
O=C(/C=C\c1cnccn1)N1CC[C@H](B(O)O)C1	1351729449	OEAACOVLADSCQB-IYABHPQVSA-N	247.063	-0.435	50	10	BBGE	
CCOCC(=O)NNC(=O)c1ncccn1	1584132777	LFWHLPDIQBSDMN-UHFFFAOYSA-N	224.220	-0.726	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)c1ncc[nH]1	1628732665	XQAVHZYSUSRZBK-UHFFFAOYSA-N	233.231	-0.177	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCCCCO	1634249442	DKIUQHKGUWCTMC-UHFFFAOYSA-N	232.280	-0.543	50	10	BBGE	
C#CCN[C@@H]1CS(=O)(=O)C[C@H]1Cl	1880702668	JKFVFGJKEOZUFM-RNFRBKRXSA-N	207.682	-0.386	50	10	BBGE	
CC[S@](=O)N[C@@H]1CCC=C1B(O)O	1883501550	JXMWAZSIWCDZFK-UHLUBPPHSA-N	203.072	-0.640	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1(CO)CC1	1886374017	FGOQNUSKXLYAFD-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@H](O)[C@@H](O)C1	1887704651	PVXFOSDJFZKWLU-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CC[C@@H]21	1895126276	RBISWCYEGUHGNM-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
O=C(CCl)N1CC[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1897085843	OBTBNKNRUIDJGZ-ITFKJWCVSA-N	219.668	-0.432	50	10	BBGE	
C[C@@H](CN1CC(C)(C)CS1(=O)=O)C(=O)NN	1901037021	UKCMPCPKJRTHQE-ZETCQYMHSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)C1(N)CCC1)S(=O)(=O)C1CC1	1901348309	GMXJMJCBJXBMLI-UHFFFAOYSA-N	247.320	-0.677	50	10	BBGE	
Cc1ncc(OC[C@@H]2CCO2)cc1B(O)O	1901367707	ASTCRAUOKITVFW-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
C[C@@H](COc1cccnc1C#N)C(=O)NN	1901440848	NZHQCSJUNKIZIE-ZETCQYMHSA-N	220.232	-0.042	50	10	BBGE	
O=C1CCCN1CCN1CC[C@H](B(O)O)C1	1902513914	UOEANNAXZCLQLU-VIFPVBQESA-N	226.085	-0.843	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]21	1909089445	XQLVOQRAZCIXNC-PORUNHMFSA-N	239.319	-0.136	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ccno1	1923410290	KMFYICRGMIYMEH-UHFFFAOYSA-N	223.110	-0.002	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](CF)C1	1927908098	MXQQDYHLWIDGRL-XHNCKOQMSA-N	215.272	-0.096	50	10	BBGE	
COc1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c1	1927910380	GBMYGHFXCRPXDQ-XPUUQOCRSA-N	210.237	-0.482	50	10	BBGE	
CN(C)CCCSCCOCC(=O)NN	1928179372	PDOXCHCTIZJYCB-UHFFFAOYSA-N	235.353	-0.322	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@H]1[C@@H](O)CO	1928572893	BXGRCHKWZJSEMF-FXQIFTODSA-N	237.683	-0.806	50	10	BBGE	
O=S1(=O)CCON(C[C@@H](O)CCl)CC1	1928669313	FLZSHXWBLOGABC-ZETCQYMHSA-N	243.712	-0.752	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](C(=O)NNCCO)C1	1929834635	FFJUIOCILOLLSV-RQJHMYQMSA-N	216.237	-0.900	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)[S@](C)=O	1935213716	GRXAAFSAPOTOJH-AWEZNQCLSA-N	233.123	-0.847	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H]1COC2	1936094556	OHTWCUVBBRPRDN-XFWSIPNHSA-N	225.292	-0.524	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1C[C@H]2COC[C@H]21	1940444402	YPQIXKRUNBDKBY-VAPHQMJDSA-N	237.255	-0.062	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOC12CCCCC2	1940576942	HCFNIOJWKRFSKZ-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
CO[C@@H](C)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1940578729	RNNHEOZYDAUSPB-DTWKUNHWSA-N	241.291	-0.774	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081887	DIUMWNCGJVTORR-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H](O)[C@@H](F)C1	1944307226	HIGKTDHWNARXRR-YUMQZZPRSA-N	243.238	-0.602	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)NC(C)(C)C1	1945294826	ZJDOIPJPSNSMQR-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@H]1CO	1945883221	VWZLNVCMLSKOOJ-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C	1951322085	SMDVENZXPAIMPN-DTWKUNHWSA-N	229.085	-0.267	50	10	BBGE	
O=C(O)[C@]1(C[C@H](O)CCl)C[C@@H](O)CN1	1956249926	BKIKFFQCTMEIER-BBVRLYRLSA-N	223.656	-0.846	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1957837373	WBGDSDIVQKJDAI-VXNVDRBHSA-N	219.260	-0.839	50	10	BBGE	
CC(C)OC1CN([C@@H](C)CC(=O)NN)C1	1958194083	JGQALSAWLFMIGW-QMMMGPOBSA-N	215.297	-0.136	50	10	BBGE	
COC1(CN(C)C(=O)C(=O)NN)CCC1	1960729511	NFXUUUFUAXLKBM-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
C[C@H]1CCCN1c1ncncc1B(O)O	1961691627	PMQRZIGLFGANCQ-ZETCQYMHSA-N	207.042	-0.855	50	10	BBGE	
C[C@@H]1CCCN1c1ccncc1B(O)O	1961694147	KJJNHHINOFWXJM-MRVPVSSYSA-N	206.054	-0.250	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])c(B(O)O)cc1F	1962719337	YUGZRBOYDACHCT-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
O=C(c1cnco1)N1CCC(B(O)O)CC1	1971373293	USPZPTLKDWOHAU-UHFFFAOYSA-N	224.025	-0.246	50	10	BBGE	
CC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CCC1	1976980038	SMCVHHQMYSMMLP-LURJTMIESA-N	229.041	-0.781	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1N(C)C	1980826012	OVVVWCCLHGUHIV-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC=C(CO)CC1	1980961168	MNXBGMJHSJRPPG-BDAKNGLRSA-N	227.308	-0.375	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ncc(B(O)O)cn1	1981413344	FQUNJHNHCPOZTP-SVRRBLITSA-N	225.032	-0.907	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)[C@@H](CO)C2)CC1	1983557421	FFZQHGBFCCJGCD-HTQZYQBOSA-N	231.271	-0.981	50	10	BBGE	
CN(C)[C@H]1C[C@H](OCC2(C(=O)NN)CC2)C1	1986221077	JFDBHIJIAOQRQL-KYZUINATSA-N	227.308	-0.134	50	10	BBGE	
C[C@@]1(CCO)CCN(CCCC(=O)NN)C1	1987907580	PXUSXUBCXSZPMJ-NSHDSACASA-N	229.324	-0.149	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1cc(Cl)cn1	1988003961	CEQZTIFOSWZGMQ-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
OB(O)c1ccn(CCC[C@@H]2CC2(F)F)n1	1991012716	XHKYHYBLOGSMDR-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(O)nc1	1991326417	GQBONPNTEQFZJC-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@@H]1COCC1(F)F	1991601840	HSQLNAYYMHOKIL-SCSAIBSYSA-N	246.160	-0.338	50	10	BBGE	
CN1CCC(OC[C@@H]2C[C@@H]2C(=O)NN)CC1	1992112502	AGTYTAMPCWLGRN-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
C=CCCNC(=O)c1ccccc1B(O)O	1992837110	UPZWVPVKVKUTAB-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
O=C1CN(C2[C@@H]3[C@@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)CC(=O)O1	1995628232	NSOMSUBTCQXIGR-LEAXNWEUSA-N	219.240	-0.118	50	10	BBGE	
CN(C)CC1CC2(CCN2CCC(=O)NN)C1	1998036431	AGQGOGKPBBTLEX-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CN(C[C@H]1C[C@H]2[C@@H](C1)C2(F)F)C(=O)C(=O)NN	2000210670	NPRGIAGYKDPZIT-POBXSPIYSA-N	247.245	-0.274	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)CC[C@H]1CO	2000985333	WSOMPXFFYMUVKH-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@@](F)(C2)C1	2002858745	PUUHOECMLGCQQR-GXSJLCMTSA-N	245.298	-0.183	50	10	BBGE	
CC[C@@H]1CN2CCC[C@H]2CN1[C@@H](C)C(=O)NN	2004368546	DVUPFBQEBVNFQT-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@H]2CF)O1	2004489683	XSABBTPUGXLOJI-GUBZILKMSA-N	245.298	-0.042	50	10	BBGE	
CC(C)c1ccn(-c2ncncc2B(O)O)n1	2004989744	ASGHMHXIGLHXLV-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
CC1(CO)CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010832360	HNHPPQCNCBMCFD-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
CCC(=O)N1CCN(C[C@@H](C)C(=O)NN)CC1	2011465017	NZUFZMUAYNMEPR-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	2016210432	YTSGYQWMWKQJLF-SQXHDICFSA-N	245.298	-0.309	50	10	BBGE	
CN(CCCO)C[C@H]1CCC[C@@H](C(=O)NN)O1	2018242243	FEGRMIBLRYBHSY-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
COc1ccccc1C(=O)NCC=CB(O)O	2020056941	PVFBFZDIZALZPX-UHFFFAOYSA-N	235.048	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1CN2CCC1CC2	2021071665	LSDQRGKEEUCVIF-GMTAPVOTSA-N	239.319	-0.277	50	10	BBGE	
O=C(NCC#CB(O)O)C1(C(F)(F)F)CCC1	2021158517	DPBORPFPRUFQQJ-UHFFFAOYSA-N	248.997	-0.149	50	10	BBGE	
C=C(CN1CC(N2CCC[C@@H](C)C2)C1)B(O)O	2021164960	OJZJPQARGBNDKB-SNVBAGLBSA-N	238.140	-0.029	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1[C@H]2CC[C@H]21	2041998609	WYTQNEYZRFTAFI-GDNZZTSVSA-N	245.087	-0.361	50	10	BBGE	
Cc1nc(N2CC[C@H](C)[C@H](C)C2)ncc1B(O)O	2052555112	CSVSICMIIPUJNK-DTWKUNHWSA-N	249.123	-0.053	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)n1	2053734157	CXZWIWPWLZXAHM-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3COC[C@H]32)n1	2066309759	OALBDPSCJHJONQ-LDYMZIIASA-N	248.286	-0.484	50	10	BBGE	
O=C(NCC#CB(O)O)c1n[nH]c2c1CCCC2	2077484427	WSQPNRBTPVLIGQ-UHFFFAOYSA-N	247.063	-0.966	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1	2079008181	FSEFANLYXWOHKK-ZYHUDNBSSA-N	249.075	-0.726	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)c2ccccc2B(O)O)C1	2079008902	CNSPAGAFUMYLNJ-DTORHVGOSA-N	249.075	-0.726	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccccc1B(O)O	2079010050	MGEIVIZIPLRFBE-SECBINFHSA-N	246.075	-0.212	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@]1(C)CO	2211782773	RBKNRFSPIXXXGP-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
N#Cc1cccn1-c1cc(B(O)O)ccn1	2212595845	RBCGWYAEQGOIDV-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
C[C@H]1C[C@]1(F)CNc1cc(B(O)O)ccn1	2212601411	NOXNNFVTZUXLRF-XVKPBYJWSA-N	224.044	-0.079	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ncccc1B(O)O	2212603874	KGSOKCGFGVSCSM-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]2C2CC2)nc1	2212610931	RLHRBHXOEZYELY-BDAKNGLRSA-N	219.053	-0.633	50	10	BBGE	
CCC[C@@H](O)CNc1ccc(B(O)O)cn1	2212612005	GTDFTIPNZGYLQA-SECBINFHSA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCOC2)nc1	2212613667	YFFPJAOXFJCDPK-SECBINFHSA-N	222.053	-0.648	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213882859	GCXSWIKOEOOEJV-BBBLOLIVSA-N	247.314	-0.204	50	10	BBGE	
C[C@H](O)CN(C[C@H]1CC[C@H]1C(=O)NN)C1CC1	2215773634	TUYYXQDPPNXWKK-IQJOONFLSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2COC[C@H]2C1	2215776679	OJOKQVGJRVXACI-GWOFURMSSA-N	239.319	-0.419	50	10	BBGE	
Cc1cnc(N2[C@@H]3COC[C@H]2C3)cc1B(O)O	2217182676	GFPCNPFETPRJOG-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@H]1CCOC1	2217194492	ADBNQPSZMQCJNI-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
Cc1ncccc1Nc1ncc(B(O)O)cn1	2217198960	IOYUUWZOJJZLIF-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
N[C@@H](CNc1ncccc1B(O)O)c1ccco1	2223633775	AXLDHPQCSKVPAS-VIFPVBQESA-N	247.063	-0.534	50	10	BBGE	
OB(O)c1cccnc1OC1C[C@H]2CNC[C@@H]2C1	2223650809	RCVFWGLZQPLYFZ-IUCAKERBSA-N	248.091	-0.862	50	10	BBGE	
CC1(C)[C@H](CN)CCN1c1ncccc1B(O)O	2223654339	ZVBFVKOVBOQZOR-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
C[C@@H]1CNCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223669338	IQUIZDFXTGMWCE-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
CC1(C)CCNC[C@H]1Nc1ccc(B(O)O)cn1	2223678285	ZOMUIYMIQAPBTG-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
CO[C@@H](CO)CNS(=O)(=O)CCCCl	2242437857	FMKMUQLXPGTQFF-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC=C[C@]1(C)CO	2242609486	UPQWCBNJGGPITD-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
O=C(NC1CC1)c1cc(Cl)ccc1B(O)O	2243367399	SGXASHZVYAMPET-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
CCC1CN(C(=O)c2csnc2B(O)O)C1	2243377660	DQUHNJGFDWXWPA-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2243397024	UKWQUJLQWNLZIM-WZENYGAOSA-N	227.069	-0.467	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2F)oc1B(O)O	2243410902	JYECQANISHBMPC-WDSKDSINSA-N	227.000	-0.892	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243420766	YZDRHQDDXJJPOQ-XHNCKOQMSA-N	225.053	-0.737	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)CCC#N)B(O)O	2243433226	JTEGPFHOHGCBDT-MRVPVSSYSA-N	246.097	-0.834	50	10	BBGE	
CCN(O)C(=O)c1cccc(Cl)c1B(O)O	2243509873	QRFRIPHPDYZJGJ-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
CC#CC(=O)NCc1scc(C)c1B(O)O	2243669364	UQFWMHZHHKLTPK-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ncsc1B(O)O	2244143100	GHNXQUXTCFBGNV-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247733771	QDFVKJFXWYPQSV-SECBINFHSA-N	233.032	-0.803	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCc2ccccc21	2247740656	NQBVUVWKFXSABN-LLVKDONJSA-N	229.044	-0.195	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1occc1B(O)O	2247754095	DXVIBWJNOLKBLR-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cn1C)C1CC1	2247764713	UKTPOYQRXMISKH-ZETCQYMHSA-N	236.080	-0.767	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1(C)CC1	2247784039	OPBAPFKPSCYABO-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC=C[C@H]1CO	2247785516	LVNZVCYFUMDTOR-AEJSXWLSSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H](C)O1	2247787666	RYJSHSPEMMFYOL-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
Cc1cc(C(=O)Nn2cccc2)oc1B(O)O	2247788908	MTHVBKCSCFIUIH-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2CCO[C@H]2C1	2247789795	BNCJSYMORBNSGV-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797634	LQVWZGLLPLNHMD-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]1C1CC1)[C@H]1C[C@@H]1B(O)O	2247799160	ADRIWVBKZMGSAV-AXTSPUMRSA-N	238.096	-0.894	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2247799998	KEGDBFBGTWJRIY-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
O=C(NOC1CCOCC1)C1CC(B(O)O)C1	2247801227	YNAGUGNEKAICME-UHFFFAOYSA-N	243.068	-0.534	50	10	BBGE	
O=C(NCc1cncc(F)c1)[C@@H]1C[C@@H]1B(O)O	2247806055	DAFYQYSRQGOIPC-BDAKNGLRSA-N	238.027	-0.300	50	10	BBGE	
CC1(C)OCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247853110	GMDNPZFQQLYFOT-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1coc(B(O)O)c1	2247868189	QFQXDLXQOQEQEA-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1coc(B(O)O)c1	2247872253	PJDUAEVUKSGVIW-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1occc1B(O)O	2247879756	XKJSOVMJGLRKKR-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CCC2)[C@@H]2C[C@H]21	2247879821	YAZRSFZNTZWEPF-RKDXNWHRSA-N	238.096	-0.702	50	10	BBGE	
COc1ccncc1NC(=O)[C@H]1C[C@H]1B(O)O	2247887548	PGFMCTPYCIGAMA-NKWVEPMBSA-N	236.036	-0.108	50	10	BBGE	
CCCCNC(=O)c1nn(CC)cc1B(O)O	2247888685	DRKPNLHBDBJDIR-UHFFFAOYSA-N	239.084	-0.887	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2CC[C@H]1CN2	2247895992	WOOBWHIXVZTNQU-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2COC[C@@H](C2)C1	2247900407	WMNPTPYQCLAYPQ-AXTSPUMRSA-N	239.080	-0.656	50	10	BBGE	
C=CCC(=O)N1CCc2cc(B(O)O)ccc21	2248397943	OZGYUWNCOLGDGR-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
CON(CCC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248588276	AVTVYWSHFBGEHI-LJGSYFOKSA-N	245.040	-0.896	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1C[C@H]1C	2248968792	RZNNODFUKSHMIV-MUWHJKNJSA-N	234.064	-0.792	50	10	BBGE	
O=C(NCCCC1CC1)c1cc(B(O)O)co1	2249420179	QHHXWXPIDVCPES-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1cc(B(O)O)co1	2249427876	ATSISIJWDHKLTJ-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1CC=CC1	2249432764	CGMXYYKHKPEBGV-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1coc(B(O)O)c1	2255456561	PWGIOISTQBJIOI-SKDRFNHKSA-N	249.075	-0.026	50	10	BBGE	
O=C(NCC1[C@H]2CCC[C@H]12)c1ccoc1B(O)O	2255464917	CMVDTUVPBPLBTH-YUMQZZPRSA-N	249.075	-0.265	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@H]1n1ccnc1	2255469761	UIRVOKROQAFCFY-NXEZZACHSA-N	247.063	-0.892	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255520599	MJOBFMVFHPRBKP-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@H]1C	2255746980	CEBUPPHAOSHJOD-VXNVDRBHSA-N	249.075	-0.487	50	10	BBGE	
C=CC1(NC(=O)c2nccc(C)c2B(O)O)CC1	2255783621	FCVYXMOMPWYWJZ-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@@H]2C[C@@H]2C)c1B(O)O	2255785243	KIBIWJJWQWCBAC-IUCAKERBSA-N	248.091	-0.544	50	10	BBGE	
CC1(C)CCN(C(=O)c2nccnc2B(O)O)C1	2256058100	NKZYYLFPFODNIF-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(N[C@@H]1CC[C@@]12CCCO2)[C@H]1C[C@H]1B(O)O	2298369436	UPSDQAITGDVIIC-SJQPAMGKSA-N	239.080	-0.323	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1nccn1C	2298375346	GOLKEDYGBLEDCN-PRJMDXOYSA-N	237.068	-0.540	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)C1(B(O)O)CC1)C2	2298559301	BEGMGHQLIRCUAC-NQMVMOMDSA-N	239.080	-0.323	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC=C[C@@H](O)C1	2300362787	GGAJDOKZFCMMJZ-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
CO[C@@H](C)CN(C)c1cc(B(O)O)c(F)cn1	2303834250	CFOHCOYMCRAIFH-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
CC12CC(CN1c1cc(B(O)O)c(F)cn1)C2	2303848277	XCHUOMQLYFKNHU-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ncc(B(O)O)cn1	2304122719	OJNNQGKSEKTYQL-ZETCQYMHSA-N	235.052	-0.693	50	10	BBGE	
NC[C@@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317310058	YRVYRLGBGCJKEJ-QPUJVOFHSA-N	248.091	-0.672	50	10	BBGE	
CN(Cc1ccccc1)C(=O)C(=O)NN	34217068	YOFPCSKEXZCETP-UHFFFAOYSA-N	207.233	-0.365	50	10	BBGE	
C[C@@H](CN(C)C1CCNCC1)C(=O)NN	82471256	OQARVIOEUQWZMB-QMMMGPOBSA-N	214.313	-0.704	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1cnc([N+](=O)[O-])n1	82471427	JADDQRVVWDGCHG-YFKPBYRVSA-N	228.212	-0.483	50	10	BBGE	
CCCN(CC(=O)NC)[C@H](C(=O)NN)C(C)C	104106220	PHBIXTGPJAFDIZ-JTQLQIEISA-N	244.339	-0.541	50	10	BBGE	
NNC(=O)c1ccccc1Cn1ncccc1=O	110601834	SOJZSOUZZQACNJ-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@H](C[S@@](C)=O)NC(=O)NC(=O)CCl	135304726	HUELWRRZAVVSSN-YYNRFHATSA-N	240.712	-0.182	50	10	BBGE	
CN1CCC[C@@H]2CN(CCC(=O)NN)CC[C@@H]21	166898239	WAKPUODVXBYBDZ-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
NC(=O)N/N=C/CC/C=N/NC(N)=O	167369178	DQSFAFIWVOBKBF-LQIBPGRFSA-N	200.202	-0.925	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)[C@H]1CO	227214516	NTCCMPSCZGIJAY-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
O=C(CCBr)N1CC(O)C1	227258289	KBQNZTMNQYDIOL-UHFFFAOYSA-N	208.055	-0.026	50	10	BBGE	
CCCNS(=O)(=O)c1ccccc1B(O)O	230819417	KZXBLQJDZQRXAA-UHFFFAOYSA-N	243.093	-0.945	50	10	BBGE	
CC[C@H]1CCCN1[C@@H](COC)C(=O)NN	232418808	OWFCCFNVBTWXSS-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C/N=C(/NC)NNC(=O)c1ccncc1	238321483	WUMRIKTYEHCALB-UHFFFAOYSA-N	207.237	-0.479	50	10	BBGE	
N#Cc1ccnc(Br)c1B(O)O	238611997	NMLQWCXHQBBZIH-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCC[C@H]2C1	251514478	ISSVBHZVKWENRX-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](O)CCN(C)[C@H](C)CC(=O)NN	253016009	HBLREWOBXKEJAO-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)COCc1ccc2[nH]c(=O)oc2c1	259022970	QAKOQBQLFLDPLJ-UHFFFAOYSA-N	237.215	-0.372	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CCCCC(=O)N1	286268502	HZBWIFODZDIPBK-SSDOTTSWSA-N	243.263	-0.225	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@](O)(CO)C1	306301857	IRBOYYJHKOVLQU-HTQZYQBOSA-N	204.657	-0.454	50	10	BBGE	
Nc1ccc2sc(B(O)O)c(N)c2c1	306799528	GFJHTFKJZLOWBN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@H](CN1C[C@H]2CCN(C)C[C@H]2C1)C(=O)NN	310453699	WEARCZXCTYCHRL-MXWKQRLJSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](CO)CC1	378816941	CGFNFDAVZSDCJP-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
CN=c1[nH]nc(SCCC(=O)NN)s1	385252299	NFXFJMBJYZXSKT-UHFFFAOYSA-N	233.322	-0.526	50	10	BBGE	
O=C(Cn1nncc1CO)NNc1ccccn1	385652484	AXVHIZRMKXPNHL-UHFFFAOYSA-N	248.246	-0.691	50	10	BBGE	
C[C@@H]1CN(C(=O)NC(=O)[C@@H](C)Cl)CC(=O)N1	387020391	ORELLLYUJSOIOX-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)C(C)(C)C1	388201569	SFWCNXMOBGRWOR-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	390365761	UDKJHEYLGQHZKW-BDAKNGLRSA-N	229.324	-0.154	50	10	BBGE	
CCN(CCC(C)(C)C(=O)NN)CC(N)=O	395820317	RBNAZYKVUCVAFL-UHFFFAOYSA-N	230.312	-0.800	50	10	BBGE	
O=Cc1cc(B(O)O)ccc1C(=O)CCCl	396062423	VVVNPMJQNYTWAP-UHFFFAOYSA-N	240.451	-0.010	50	10	BBGE	
CC[C@H]1CN(CCCCC(=O)NN)C[C@@H]1O	399866606	AHTAKZPPTYSUPN-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1O	399921457	PSKHRFXWAGKLJJ-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
CCCNC(=O)NCc1ccc(B(O)O)cc1	405166044	MLVYQVMFBZRQKV-UHFFFAOYSA-N	236.080	-0.424	50	10	BBGE	
O=C(NCCCBr)[C]1C#CNN1	642813444	AKPWNEPGTUMVFQ-UHFFFAOYSA-N	231.073	-0.512	50	10	BBGE	
CO[C@@H]1CN(S(=O)(=O)CCl)C[C@@H]1O	686246688	AECIZYYVOQUXEI-NTSWFWBYSA-N	229.685	-0.796	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ccnn1C	689551607	INSYXWAMTHLYGT-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@@H](C)CCC(=O)NN	692095619	LUOGTJMSYZWSCQ-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(n2cncn2)C1	707391083	IWRRLYWFCIFNAT-SECBINFHSA-N	238.295	-0.851	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)CC[C@H]1C	713759019	SDKQOKSHJBHNQS-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC(C)C(=O)NCc1cnc(B(O)O)s1	718859659	KPORZDISUTXKQQ-UHFFFAOYSA-N	228.082	-0.905	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](CO)[C@@H](O)C1	725628003	APZGYKAQJDMZLJ-VQVTYTSYSA-N	207.657	-0.575	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(O)C1=O	820175100	SIVHRCLTKSXWBE-HYDMIIDASA-N	239.231	-0.463	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846381250	DEJQYWTWXVYKMV-GJMOJQLCSA-N	241.247	-0.667	50	10	BBGE	
Cn1cnc([C@@H]2C(=O)NC(=O)[C@H]2Cl)c1	886012098	YSEYXOBSKZIYIV-WDSKDSINSA-N	213.624	-0.233	50	10	BBGE	
CN(NC(=O)CS(C)(=O)=O)c1ccccn1	1118947366	PBHYLCHMTQYSPT-UHFFFAOYSA-N	243.288	-0.406	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C=O)n(C)n1	1332581647	HUGXKDFMVZUGQI-UHFFFAOYSA-N	210.193	-0.987	50	10	BBGE	
O[C@H]1COC[C@H]1n1cc(CCCl)nn1	1615904072	VBIRWEUMKLJFNW-SFYZADRCSA-N	217.656	-0.008	50	10	BBGE	
O[C@@H](CCl)COCCN1CCOCC1	1884725959	NNNTUCQFLUGAIC-VIFPVBQESA-N	223.700	-0.065	50	10	BBGE	
O=C=NC(=O)OCCN1CCOCC1	1884750178	QYTCHUIOISQHPM-UHFFFAOYSA-N	200.194	-0.209	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)c1cn(C)nn1	1884831080	LZBWIFAUUSYCKZ-LURJTMIESA-N	212.640	-0.215	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@]1(CO)NC(=O)CCl	1890900812	SVOAWGRTIDEDFY-RCOVLWMOSA-N	221.684	-0.137	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CCC[C@H]21	1893851919	JHYDLUMCKATDAX-GJMOJQLCSA-N	211.265	-0.234	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](CF)C1	1895088804	XIWWHCMLMWMKDU-XHNCKOQMSA-N	231.271	-0.717	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2CCC(=O)NN	1896280275	RVAGNPIDYLNTCZ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]3CC[C@H]32)n1	1902639601	SIMCMNTVSNIFBB-HTQZYQBOSA-N	238.121	-0.193	50	10	BBGE	
OCCCOC1CN(C[C@H](O)CCl)C1	1906562626	KOUOCJUGZZMUCO-MRVPVSSYSA-N	223.700	-0.331	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)C[C@@H]1C#N	1914868872	HJMDUYQNCVSWIW-VIFPVBQESA-N	239.323	-0.858	50	10	BBGE	
CN(CCF)Cc1nsc(C(=O)NN)n1	1917258910	HHUHFSYCPSAXQW-UHFFFAOYSA-N	233.272	-0.457	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]1C1CCCC1	1928056811	LZHSZUAVUXGDKB-YUMQZZPRSA-N	211.265	-0.329	50	10	BBGE	
Cn1cnc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)n1	1929101937	MFPXNAGFKILXEB-QWWZWVQMSA-N	214.612	-0.838	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929909154	GJVJHFIMTGQFQL-BWZBUEFSSA-N	219.260	-0.840	50	10	BBGE	
CCCn1cc(NC(=O)C(=O)NN)cn1	1932775108	IDTGIHJBUBOOEG-UHFFFAOYSA-N	211.225	-0.779	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@]1(C)CO	1932968492	XLVNRILYTZKJAI-WPRPVWTQSA-N	215.297	-0.542	50	10	BBGE	
Cc1csc(CN(C)[S@](C)=O)c1B(O)O	1935214873	ZFRSHUILSPYVSR-HNNXBMFYSA-N	247.150	-0.538	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)cn1	1936084901	UVWITMWBRUPABS-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936093948	IZMNEFXQUGOTBK-BBBLOLIVSA-N	227.308	-0.419	50	10	BBGE	
COC[C@H](C)CN(C)CC1(C(=O)NN)CC1	1938248362	FGCARCSLPZTEBP-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CN(CCCC(=O)NN)CCCC(=O)N(C)C	1940305056	VEHJOXXVNAFLCO-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
CCCNC(=O)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1941093849	IXPLMVLENFCDOJ-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
CNC(=O)OC1CN(CC(C)(C)C(=O)NN)C1	1943063372	SHCRHXMZJWUGMH-UHFFFAOYSA-N	244.295	-0.957	50	10	BBGE	
Cc1ncc(OC[C@@H]2CCCO2)cc1B(O)O	1944011905	VUNPHGOXWCHQCV-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(CC3)CO2)n1	1944564315	FCKOUFSNYFOIOA-UHFFFAOYSA-N	238.247	-0.195	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC1(C)C	1944736193	KUBOFWRHGLQOEQ-LPEHRKFASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1[C@@H](CO)C2	1951026601	NQEGZNYZSMTXSZ-HWUMTFDVSA-N	239.319	-0.542	50	10	BBGE	
CO[C@]1(CN2CC[C@@H](B(O)O)C2)CCOC1	1951322248	ZFHHRLIIULIOAN-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
CN(C[C@H](O)CCl)C(C)(C)C(N)=O	1954823576	JHKHWQJCVZFDNU-ZCFIWIBFSA-N	208.689	-0.218	50	10	BBGE	
C[C@]1(CO)CNCCN1C[C@@H](Cl)C#N	1957254130	SOFSBQLKJKPZCA-DTWKUNHWSA-N	217.700	-0.226	50	10	BBGE	
COC[C@H]1CN(CC(=O)NN)C[C@@H]1C	1957358518	IOYIXSYXIJMCET-JGVFFNPUSA-N	201.270	-0.809	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2C[C@@H]2CO)[nH]1	1957828945	TVDLTWIRFNKDGU-RFZPGFLSSA-N	229.671	-0.762	50	10	BBGE	
C[C@]1(NC(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1958198552	GUWGHHKLGUPIDD-DZSWIPIPSA-N	225.170	-0.567	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1=O	1958793406	LMGVDMNEBKICCA-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3CCC[C@H]32)n1	1961718821	ULJZHAVCAWSFJY-NKWVEPMBSA-N	224.094	-0.188	50	10	BBGE	
OB(O)c1ccc(Sc2ncns2)nc1	1961724931	VORPCMQGTVYVDU-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1974541926	VBQSUUGARWOXCG-XAVMHZPKSA-N	213.281	-0.790	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cn(C)cn1	1974785966	RZTIOVIONZIFRG-SSDOTTSWSA-N	247.707	-0.061	50	10	BBGE	
COC[C@]12CN(CCC(=O)NN)C[C@]1(C)C2	1978983100	ZIHBNTKOGVDBFY-QWRGUYRKSA-N	227.308	-0.275	50	10	BBGE	
CNCC[C@H](C)N(C)CC(=O)NNC(C)=O	1980086904	PKTSGKVOUZLCBF-QMMMGPOBSA-N	230.312	-0.917	50	10	BBGE	
COCCN([C@H]1CCSC1)[C@@H](C)C(=O)NN	1980767770	IRODJLHYUDWYDH-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
CCN(CC(C)C)c1ncc(B(O)O)cn1	1981408885	GOFPVKHSWWFNOQ-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
COC[C@@H](C)Oc1ncc(B(O)O)cc1F	1981420501	MAGSEGBGWQKJFK-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
C[C@@H](N(C)C(=O)C(=O)NN)[C@]1(C)CC1(F)F	1981465377	WBYLQIBHCFCZFP-XRGYYRRGSA-N	235.234	-0.132	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)c1nc(=O)o[nH]1	1983911557	CUNBRMBRICRNHK-VKHMYHEASA-N	248.626	-0.512	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H](F)C1	1984102405	UGBSKRPJYCHOAT-XWEPSHTISA-N	225.028	-0.724	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1CC(N)=O	1986123498	XMLGQYNTSCZXDR-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
CN(CCCCCC(=O)NN)C1(CO)CC1	1986546645	PJMVYYLHSSKUCB-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
C[C@H]1OCC[C@H]1CCN(C)C(=O)C(=O)NN	1991025268	IIQFGOBASLGZGY-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)CC[C@@H]1O	1991691160	ARFMEBQJAZNNON-NGJRWZKOSA-N	247.678	-0.092	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)[C@@H]3C[C@@H]3Cl)C[C@@H]12	1991693045	KYDQUFNPLCLTQY-JWXFUTCRSA-N	242.662	-0.655	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](O)CC12CNC2	1991713002	NOKQLAWBTWJNOJ-HIXXPVPXSA-N	244.678	-0.757	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCN1CCOCC1	1991713723	WTGSXNVFYSHTJX-OWOJBTEDSA-N	246.694	-0.244	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@]1(CO)CCCNC1	1991715551	VYTACHNWWKIPTA-PBKGFPTLSA-N	246.694	-0.461	50	10	BBGE	
C=C(CN(C)[C@H]1CS(=O)(=O)C1(C)C)B(O)O	1992145890	OQDIRHFPVKBQDZ-QMMMGPOBSA-N	247.125	-0.938	50	10	BBGE	
CC(C)(CN1CC[C@@H]1c1ncon1)C(=O)NN	1997768172	WLDSVOCKCACODO-SSDOTTSWSA-N	239.279	-0.168	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H](C)C1	1998401117	PDHGOGXSILHPMY-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](CN(C)CCCn1cncn1)C(=O)NN	2003823713	ARACPBQZPCVNTP-SECBINFHSA-N	240.311	-0.774	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCCNC1=O	2004246845	IRBUPQVOZJNECJ-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCCOC1	2004935939	SBVBGWDFSIKSFV-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC[C@@](C)(COc1ccncc1B(O)O)OC	2004953632	XHUUBOMBJKYXAF-NSHDSACASA-N	239.080	-0.045	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2C(F)F)n1	2005017660	IMTCLRKUWCZKIA-SSDOTTSWSA-N	243.022	-0.691	50	10	BBGE	
CC[C@@H](Oc1cncc(C(N)=O)c1)C(=O)NN	2007700856	NLSKHAPAWURZBN-MRVPVSSYSA-N	238.247	-0.672	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](CO)C2)C(=O)NN	2012640816	DMSBEVLPYOKYID-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H](O)C[C@H]3C2)CC1	2012905038	YAPOKHUJMMDHHJ-MYJAWHEDSA-N	239.319	-0.541	50	10	BBGE	
CCOC(=O)c1cc(C(=O)NN(C)C)n(C)n1	2013210366	ZQJNWECCELFUNJ-UHFFFAOYSA-N	240.263	-0.197	50	10	BBGE	
O=C1C[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1	2013431678	UXWWKNFDYKUUKD-FXQIFTODSA-N	238.243	-0.819	50	10	BBGE	
CN1CCCC12CN(CC(F)(F)C(=O)NN)C2	2013602703	USAPBIRJULHTPZ-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCC(F)(F)C(=O)NN	2014271013	SBJQNZCNZNPGQN-OCAPTIKFSA-N	248.277	-0.610	50	10	BBGE	
Cc1nnc2cc(C(=O)NNC(N)=O)ccn12	2014525234	SJMORLLJHJBFSD-UHFFFAOYSA-N	234.219	-0.649	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC3(CCCC3)O2)c1	2015572411	LBUXSBJIHUONLM-SNVBAGLBSA-N	236.080	-0.335	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCCO1	2019214201	OUBLKXLZEYPVTB-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2019219970	SQAHHAUPJYGUII-OMHSBUABSA-N	237.303	-0.260	50	10	BBGE	
CN1CC[C@@H](OCc2ccc(B(O)O)cc2)C1	2021068482	PVFUCDMGKGSHGT-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)C[C@@H]1C(F)(F)F	2021104265	KDQNVZLLWZVILP-XPUUQOCRSA-N	248.997	-0.294	50	10	BBGE	
C[C@H]1CC(C(=O)NCC#CB(O)O)C[C@H](C)O1	2021158916	KJDDMZQJTKXHHN-IUCAKERBSA-N	239.080	-0.678	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@@H](C1)C2	2021438763	BPVBORXPFMNCJO-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
C#CCN(CC)C(=O)c1ccccc1B(O)O	2022197014	WJYYABMTGKAMJH-UHFFFAOYSA-N	231.060	-0.538	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)Cc1cnco1	2043639757	PUZYUVUBXVXNFY-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
CCN(C)C1CN(Cc2ccc(B(O)O)cc2)C1	2050307351	ZJZXTVYZMIWLOD-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@H]2CCC[C@H]21	2052490195	APSCNSOLRDKKHR-MNOVXSKESA-N	248.091	-0.481	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2052499142	OQUAWVUUQZXBDK-LSQHKTNHSA-N	246.075	-0.420	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@]32C)c1B(O)O	2052551042	AJCOVSJUMGUMJA-BXKDBHETSA-N	247.107	-0.156	50	10	BBGE	
Cc1cc(N2C[C@H]3COC[C@@H]3C2)ncc1B(O)O	2052620878	ZDEQXBDBVUGOTF-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
NNC(=O)c1cccc(CN2CC=C[C@@H]2CO)n1	2056276731	ICPFQDPMXDQMCZ-SNVBAGLBSA-N	248.286	-0.582	50	10	BBGE	
CCc1c(C#N)ccc(B(O)O)c1[N+](=O)[O-]	2060282553	NHBXFXJGCPIVEV-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1nnccc1C(=O)N[C@H]1CCC=C1B(O)O	2076083417	CSXROWSPSKBCTG-JTQLQIEISA-N	247.063	-0.384	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CCO)C(C)(C)C1	2212234547	WNWVQNFXNSIHRJ-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](O)[C@H](C)Sc1nccc(B(O)O)c1F	2212600612	XEYCSLBABSZBJP-WDSKDSINSA-N	245.084	-0.238	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)C1CC1	2212603749	QWVAFTFKVFCOEM-ZETCQYMHSA-N	221.069	-0.964	50	10	BBGE	
CC(C)[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2212613605	XFFYCLDFNHUTFX-VIFPVBQESA-N	222.097	-0.113	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cnn[nH]1	2217181700	TWMRZDGLCIYJNP-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCC(F)F)c1F	2217184213	QYDCJOYILYPLHQ-UHFFFAOYSA-N	248.013	-0.220	50	10	BBGE	
C[C@@H]1C[C@H](CN=c2ccc(B(O)O)c[nH]2)CO1	2217184806	WMTUMHWBYAEHIP-RKDXNWHRSA-N	236.080	-0.980	50	10	BBGE	
CC1(C)NC[C@@H]1Oc1nccc(B(O)O)c1F	2217187774	DSSGBXSIQLJVEU-ZETCQYMHSA-N	240.043	-0.970	50	10	BBGE	
CCC[C@@H](CCN)Oc1ncc(B(O)O)cn1	2217190520	OGEVJAYTRAAIAF-VIFPVBQESA-N	239.084	-0.947	50	10	BBGE	
C[C@](CN)(Oc1cc(B(O)O)ccn1)C1CC1	2217193013	QZZUATLUUMVFMJ-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cnc(NC2C[C@@H]3CC[C@H](C2)O3)nc1	2223625338	DGZAIRDVWCFILG-PBINXNQUSA-N	249.079	-0.722	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3C=C[C@H]2C3)[nH]c1	2223629615	VUERXXOIKXLOBO-GUBZILKMSA-N	245.091	-0.798	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN(C2CC2)C1	2223631908	CHXNCLVTQPLASD-VIFPVBQESA-N	247.107	-0.590	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@H]2C2CC2)c1	2223634218	HSRBOBMDJXBDLM-PWSUYJOCSA-N	247.107	-0.686	50	10	BBGE	
CC(C)N1CC[C@@H](Nc2ncccc2B(O)O)C1	2223639357	QZBUKRBSEVJRBS-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccnc(OCc2ccccn2)c1F	2223662200	OARBMKRJSQOSAU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3CC[C@H]2C3)[nH]c1	2223678530	CYAGXPMYBWFWEO-GUBZILKMSA-N	247.107	-0.574	50	10	BBGE	
O=C(NCC1(Cl)CC1)C1(B(O)O)CC1	2241473010	BLEFFOOWVZQZRJ-UHFFFAOYSA-N	217.461	-0.119	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)[C@@H]1C	2242160554	RKWISQXIXQLCKB-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)[C@@H](C)CCO1	2243357306	URRWYHMOWHTYPG-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)c[nH]1	2243357591	YTOXHNSVGYYWQG-UHFFFAOYSA-N	222.053	-0.657	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1csc(B(O)O)c1	2243361880	IQHHSCSMPKMWPU-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)sc1B(O)O	2243378038	LPDGGQVNHFDAAX-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
O=C(N[C@H](CO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2243381150	CUCDWKVYFGVJIF-HRDYMLBCSA-N	227.069	-0.874	50	10	BBGE	
C[C@H]1CC(=O)N(C(=O)C2CC(B(O)O)C2)C1	2243392225	SDCTWCQJHXQBCP-KKMMWDRVSA-N	225.053	-0.366	50	10	BBGE	
C=CCNC(=O)c1sc(C)c(C)c1B(O)O	2243404586	QNVCQVGCVXAWGY-UHFFFAOYSA-N	239.105	-0.039	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)s1	2243406587	BEAVLWYSJWLSMP-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C=CCCC1)B(O)O	2243412687	RJHJYOPKQKTLEJ-SECBINFHSA-N	245.109	-0.417	50	10	BBGE	
C#CC1CN(C(=O)c2cc(B(O)O)cs2)C1	2243420333	QTZSTAGNNCYRLJ-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(C(F)F)CC1	2244548946	WQVOYSZVSYKKEC-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
CO[C@@H](CCl)CN=c1ccc2nnnn2[nH]1	2245983865	YRPPNKYRFFUYOE-LURJTMIESA-N	242.670	-0.393	50	10	BBGE	
CN(C)CCCN(C)C(=O)C1(B(O)O)CCC1	2247735271	YCXUNUMCFUZIOA-UHFFFAOYSA-N	242.128	-0.206	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC2(CC2)CO1	2247742361	NSCAIDYPHHAZGF-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(B(O)O)c1	2247867373	DEMNHHQHXCJZHD-LDWIPMOCSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1CCCCC12COC2)C1(B(O)O)CC1	2247873813	MHAMTVRARUFFMA-UHFFFAOYSA-N	239.080	-0.225	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1coc(B(O)O)c1	2247874894	UIKASNCSWMOGBW-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)C1(B(O)O)CCC1	2247879147	RFSYJTHAUPZAKX-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247897039	NIBSGWZGZUBGSY-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2247897583	VBINPZMAUSNSDP-KXUCPTDWSA-N	242.128	-0.304	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1C	2248586182	WZSOIKCSGNNSKW-UWVGGRQHSA-N	236.080	-0.187	50	10	BBGE	
O=C(O)CC1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248586881	IMXRDNUQCMSNCF-DWYQZRHDSA-N	241.052	-0.781	50	10	BBGE	
O=C(CCN1CCC(B(O)O)CC1)NC1CC1	2249354294	LAPNMQFTIWBFDH-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NCC#N	2249383039	OTPOEAUTCIZTBF-UHFFFAOYSA-N	236.011	-0.933	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)co1	2249428342	DKISOAAQNRGVDC-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
C=CCN(OC)C(=O)c1cccc(B(O)O)c1	2249504721	IQBADWPUPKLJCE-UHFFFAOYSA-N	235.048	-0.444	50	10	BBGE	
OB(O)c1cccc(F)c1CO[C@H]1CCOC1	2251321550	VTAYGRSVKTVWIJ-QMMMGPOBSA-N	240.039	-0.189	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2occc2B(O)O)C1	2255484602	KXDHAMVTFRDGIQ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2ncc[nH]2)n1	2255487478	PZTLXFHNSCAFIQ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@H]21	2255493688	BUHVXMLWFCEWKJ-SZEHBUNVSA-N	248.091	-0.767	50	10	BBGE	
CCCC1CN(C(=O)c2ccc(B(O)O)cn2)C1	2255521254	ULSVKROJGFOGOJ-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1ccccc1O)c1cc(B(O)O)n[nH]1	2255550021	JMYFKYPVPAKJDN-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
Cc1ccnc(CNC(=O)C2CC(B(O)O)C2)n1	2255566615	ZQBPERDWAWCVJX-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
C=CCN(CC)C(=O)c1nccc(C)c1B(O)O	2255582086	SYXHLHICJRNHRM-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H]3C[C@@H]3C2)c1	2255730787	UDIUQBCJTYRMDB-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
COc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1B(O)O	2255743091	FFZFVPFNHYCHBP-OIBJUYFYSA-N	249.075	-0.487	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1occc1B(O)O	2255746123	RPZDUZLYJCPYOE-QPUJVOFHSA-N	249.075	-0.121	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2258130383	GIILAQUFTXLAKY-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)c(N)c1	2258956155	WHSFKGGGMJUQCI-UHFFFAOYSA-N	246.075	-0.287	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2260415854	UOSVSYMKGWNRJU-OLZOCXBDSA-N	249.119	-0.288	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C=C[C@@H]1C2	2298367877	ZGZCMJXGJJPUMY-JGVFFNPUSA-N	233.032	-0.640	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298375117	YZTWGINLMURMKF-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@H]21	2298376318	RRCHJUOGMBCPTE-ZYUZMQFOSA-N	239.080	-0.371	50	10	BBGE	
CN(CCOC1CCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2300892912	KJCUMCCAMIYARF-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
CC(C)=C(Cn1cc(C)c(O)nc1=O)B(O)O	2301839566	ZPTSFWUZIBKPFE-UHFFFAOYSA-N	238.052	-0.394	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@H]1C(=O)NN	2302203525	MYEUVHQCDVCIDS-DAWVFNFOSA-N	239.319	-0.278	50	10	BBGE	
COc1n[nH]cc1C(=O)N1CC[C@@H](B(O)O)C1	2303108107	DWFAMMXZRDHWMP-ZCFIWIBFSA-N	239.040	-0.893	50	10	BBGE	
O=C([C@H]1[C@H]2COCC[C@H]21)N1CC[C@@H](B(O)O)C1	2303108355	HBQADSLYOUTIAJ-DOLQZWNJSA-N	239.080	-0.656	50	10	BBGE	
CC[C@@H]1C[C@H]1CC(=O)N[C@H](CB(O)O)C(=O)O	2303534114	DADCKMYPYJCCGF-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1c1ncccc1B(O)O	2314228688	RGDJMWRQYMYNOK-WDEREUQCSA-N	248.091	-0.723	50	10	BBGE	
NNC(=O)COCC(=O)N1CCc2ccccc21	58853167	DKCWAIJWDJMMGP-UHFFFAOYSA-N	249.270	-0.418	50	10	BBGE	
NC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	70190737	BHICFUNITOJSAE-UHFFFAOYSA-N	224.176	-0.092	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc(Cl)ccc1=O	71515797	BZOPYGXBBFMNDA-UHFFFAOYSA-N	243.650	-0.331	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCn2cnnc2C1	81544478	DOCBMTKABVGMJN-MRVPVSSYSA-N	238.295	-0.748	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCC1(C)C	82470286	BKKZYLNGHSBMHS-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C1CCNCC1	82470779	AOPNPNJTLYJZST-JTQLQIEISA-N	228.340	-0.171	50	10	BBGE	
C[C@H](CCC(=O)NN)n1cnc(C#N)n1	82471712	UBVVLAVQBZDQAI-ZCFIWIBFSA-N	208.225	-0.519	50	10	BBGE	
C[C@H](CN1CCN(C)C(C)(C)C1)C(=O)NN	82485353	DCNYOOYWCMAKCV-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
O=CC1=CC=C(C(=O)O)N[C@@H](C(=O)O)C1	85588274	SRDYVCBFNUJKKW-SSDOTTSWSA-N	211.173	-0.473	50	10	BBGE	
C[C@H](Sc1nncn1N)[C@H](C)C(=O)NN	86314052	KICQZXRWMQGOFM-WHFBIAKZSA-N	230.297	-0.902	50	10	BBGE	
CN1CC[C@H](CN(C)CC(C)(C)C(=O)NN)C1	93727923	INWCORUHNOGCTI-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(C(N)=O)CC1	110568095	FHOFUSRYMHCXQH-VIFPVBQESA-N	242.323	-0.802	50	10	BBGE	
CCCCN(C)CCn1cc(C(=O)NN)nn1	110570305	HNRBLWZSTYPXIH-UHFFFAOYSA-N	240.311	-0.387	50	10	BBGE	
N#C[C@]1(N=C=O)CCCS(=O)(=O)C1	125140221	DBDONEYAWDNFBK-SSDOTTSWSA-N	200.219	-0.207	50	10	BBGE	
O=C(CCl)NCCOP(=O)(O)O	205606838	DASBGDVOFGSTFC-UHFFFAOYSA-N	217.545	-0.549	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@@H](B(O)O)C1	211339827	RISVMOLYLYGSJZ-RQJHMYQMSA-N	206.072	-0.183	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](C(N)=O)C1	211829989	GCQKBKHWAHSHMK-DTWKUNHWSA-N	242.323	-0.658	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)C(C)(C)C1	301942730	SFDKPBZKQFKITG-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)C[C@@H]1O	306320307	KCZZTOAVCARMHD-WDSKDSINSA-N	233.655	-0.402	50	10	BBGE	
CC(=O)OCC(C=NNC(N)=O)=NO	308350872	KDPRZVZEDOUYIQ-UHFFFAOYSA-N	202.170	-0.966	50	10	BBGE	
Nc1cc(F)cc(B(O)O)c1OC(F)(F)F	321711619	QOWBXECEZDAZSV-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
OCC(CO)(CO)NC/C=C\CCl	379259130	HUCQDZKWPFWTDF-UPHRSURJSA-N	209.673	-0.913	50	10	BBGE	
N#CCN(CC#N)Cc1nc(C(=O)NN)co1	386638659	IEXMLXSOGQFOPD-UHFFFAOYSA-N	234.219	-0.873	50	10	BBGE	
CCOC[C@@H](O)CNC(=O)CBr	388476540	RDOZANNQRBKRAT-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)CCCl)C(N)=O	393688886	ZULBADIYGNZJNY-YFKPBYRVSA-N	235.671	-0.295	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CCCC(=O)NN	395061485	DULISUBCZOFQIC-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1/C=C/C(=O)O	396134612	BUYSLQOKTRTVAE-HWKANZROSA-N	248.043	-0.404	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ncccn2)CO1	496636749	OMXBYNICBBBKRZ-RXMQYKEDSA-N	223.192	-0.972	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(B(O)O)ccc1F	585000490	LAHJHBNJCIUFSU-SNVBAGLBSA-N	249.050	-0.212	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)NNC(N)=S	606277599	NYGZYVBSTISUPB-RFZPGFLSSA-N	203.267	-0.867	50	10	BBGE	
NC(=O)[C@H](N)CC1=C=S=C(Cl)N1	642866889	LOYGBSHUQKGDCY-SCSAIBSYSA-N	205.670	-0.863	50	10	BBGE	
COc1ccc(O[C@@H]2CCCO2)c(B(O)O)c1	686730272	PPAVHZDKTCWMGW-LLVKDONJSA-N	238.048	-0.110	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	688395811	SOJFSALLOOHWAK-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(=O)N(C)CC1	688935154	VVEGHABYKMSWOB-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)CC1(F)F	689216640	XMLUVSAEBZXFHC-ZCFIWIBFSA-N	207.180	-0.862	50	10	BBGE	
C[C@@H](O)CN(CCC(=O)NN)C1CC1	692097503	SPJWLRRUPMWKCR-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)[C@@H](CO)C1	692897621	YALNJZVNUQNZHR-RITPCOANSA-N	209.629	-0.396	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@@H]1CCN(C)C1	693435103	FKFFGZSBVIOLMJ-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)Oc1ccccc1	700278740	QHDHYOKZPJONTQ-MRVPVSSYSA-N	237.259	-0.440	50	10	BBGE	
CN1C[C@@H]2CN(CCCC(=O)NN)C[C@@]2(C)C1	702404933	IAJVLGJUHZRTDX-ZYHUDNBSSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCC[C@@H]1O	708049681	ACNWKOFOBOIONM-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2CC1(CO)C2	710665033	VBDYZKYRRDALBG-JEUQWKINSA-N	213.281	-0.788	50	10	BBGE	
CN(C[C@@H]1CCCS1)C(=O)C(=O)NN	718294163	IYJQIPCPHWVWEA-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
OB(O)c1ccccc1OCC[C@H]1CO1	718540542	DWCXGFJUJJNVAU-QMMMGPOBSA-N	208.022	-0.466	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721714946	IECMXQMHMALXAG-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@]1(C)CO	722998585	ACBHMRNKZWMXLZ-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)OC	727375864	OLPWPBNAFKFKJC-NKWVEPMBSA-N	243.263	-0.464	50	10	BBGE	
COC(=O)c1[nH]c(C=NNC(=O)CO)cc1C	799883832	SUPDJMXIWQFYQF-UHFFFAOYSA-N	239.231	-0.448	50	10	BBGE	
Cc1ccnn1CC(=O)NNc1nnc(C)n1C	862218102	CZWPEUCHKSKOEN-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
C[C@@H]1N[C@@H](NCCCl)C[C@H]2NNC(=O)N12	953055359	FOWVDHSAXKRXIF-QYNIQEEDSA-N	233.703	-0.664	50	10	BBGE	
C[C@@H]1N[C@@H]([N+](=O)[O-])CN1C[C@H](O)CCl	1083805718	UERXILNOSKVFHF-QYNIQEEDSA-N	223.660	-0.560	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@H](C)[C@H]1C	1118228733	UHJHDAHVUATQDY-PHDIDXHHSA-N	214.221	-0.314	50	10	BBGE	
N#CCCCC(=O)NNC(=O)[C@H]1COCCO1	1126688621	DDULETOMFKBPBQ-MRVPVSSYSA-N	241.247	-0.757	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)c1cn[nH]c1	1137119908	MILABHRMYUWOLU-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C[C@H]1COC(=O)C1	1163316524	JYKAQLFLRALZAP-JGVFFNPUSA-N	230.264	-0.717	50	10	BBGE	
CC(=O)NNC(=O)Cn1c(C)cc(C)nc1=O	1290391395	CYJGBXTXPIYYJR-UHFFFAOYSA-N	238.247	-0.973	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1ncccn1	1299520262	GXOGZRSILUEBKO-RQOWECAXSA-N	206.205	-0.186	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCOC2)n1C	1331880066	WNQQALCKYUNUPO-SSDOTTSWSA-N	225.252	-0.397	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)[C@H]1COCCO1	1465562957	CRQONGBDARSLPB-CDAZIORVSA-N	240.259	-0.319	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1883634842	OXOYRVZTZSLCTG-PBXRRBTRSA-N	202.641	-0.382	50	10	BBGE	
CN(C)CCOC[C@H]1C[C@H]1C(=O)NN	1884725325	KDNSQJFTGYQHBV-HTQZYQBOSA-N	201.270	-0.809	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1CF	1886121894	HKEXHQWCIYTMKY-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
NC[C@@H](CO)C(=O)N1CCSSCC1	1887251870	HVBGTUORJMCNPQ-ZETCQYMHSA-N	236.362	-0.223	50	10	BBGE	
N[C@H]1CC(C(=O)NCC(Cl)Cl)=C[C@H]1O	1887268357	GITWKURMKMSKMQ-NTSWFWBYSA-N	239.102	-0.075	50	10	BBGE	
CSCCOCc1nc(B(O)O)cs1	1891824534	YCGYOGOJLAKKCS-UHFFFAOYSA-N	233.123	-0.298	50	10	BBGE	
CP(C)(=O)[C@H]1CNC[C@@H](C(=O)NN)C1	1892580486	QRMZUEXOHYDLAM-NKWVEPMBSA-N	219.225	-0.423	50	10	BBGE	
O=C(Cl)C=CC(=O)NN1CCOCC1	1893411389	WUEJJPZTROBCNE-UHFFFAOYSA-N	218.640	-0.329	50	10	BBGE	
CC(C)(CN1C[C@@H]2CCO[C@@H]2C1)C(=O)NN	1895093088	IDNLHGQLSAVOPT-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@H]1F	1895375773	BMYCIWWPGKUNDJ-RKDXNWHRSA-N	223.012	-0.337	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@@H]2C[C@@H]2C1	1897283610	KXJINPQOEGFOOU-OPRDCNLKSA-N	221.065	-0.446	50	10	BBGE	
CC[C@](C)(C(=O)NCC#CB(O)O)C(F)F	1900063737	OEMOMJUHYDWYLY-VIFPVBQESA-N	233.023	-0.201	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCC[C@H]1N)S(C)(=O)=O	1901373412	KMEHUTUODWLJLN-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC=C[C@H](O)C1	1901768150	ZHAYWKMHJHGYDT-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
COC[C@H](C)N(C)Cc1nc(B(O)O)cs1	1902636747	BQKOIHPXFQKCEX-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](OC)[C@@H]2COC[C@@H]21	1905694507	XTEKLFLCMUIKQE-IMSYWVGJSA-N	243.307	-0.900	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@]12CC[C@@H]1C2	1905724736	KZLRCXNCQDFLFO-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H]2[C@@H]1C[C@H]2O	1907912382	AJMLOUOJCSULFB-BIIVOSGPSA-N	249.261	-0.543	50	10	BBGE	
N#CC[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1915018705	PFIWHAXVBNCRGW-SSDOTTSWSA-N	232.234	-0.153	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]12CCOC2	1915572601	JLINYHKPWHHLEP-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CN(Cc1ccccc1)C1COC1	1915663773	IBMUIWDBBGLQGE-UHFFFAOYSA-N	235.287	-0.123	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC1(C)C	1915703153	MFPUJFXFTZROHO-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
CC(C)(NC(=O)C(F)(F)F)C(=O)NNC=O	1923448965	OGSNQQHFLRFBGB-UHFFFAOYSA-N	241.169	-0.779	50	10	BBGE	
N#Cc1cccn1C[C@H]1C[C@H]1C(=O)NN	1927906957	FIJAJUBDJLVGLG-VXNVDRBHSA-N	204.233	-0.014	50	10	BBGE	
NNC(=O)N1CCOC[C@@H]1[C@@H]1CCOC1	1928026367	KFDBJUSEONBOPX-HTQZYQBOSA-N	215.253	-0.693	50	10	BBGE	
NNC(=O)C(=O)NC1CC[C@@H]2C[C@H]2CC1	1928213881	XGWZMNQAQXJPIU-RNFRBKRXSA-N	211.265	-0.329	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OCCO[C@@H]2C1	1930248544	MHMCUTPQJWSFSJ-KNVOCYPGSA-N	205.641	-0.149	50	10	BBGE	
CO[C@H](C(=O)N(C)N)C1CCOCC1	1930601786	YLJBPDAKQZDROM-QMMMGPOBSA-N	202.254	-0.240	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1936094527	OCEAZXMDYFBVBD-LGXQJMGHSA-N	247.364	-0.689	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCCC[C@H]21	1936529492	LXQNZKYAKBIUSU-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CCN(C(=O)NC(=O)CCl)[C@@H]1C(N)=O	1937134635	CRPGEVVAZXLKGZ-VDTYLAMSSA-N	247.682	-0.343	50	10	BBGE	
C[C@]1(OCc2nc(C(=O)NN)co2)CCOC1	1942463844	RQFONCBZTPEYLU-JTQLQIEISA-N	241.247	-0.026	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@@]2(CO)C1)C(=O)NN	1942496070	VVXGXGUKFOJXHY-CABZTGNLSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](CN1CCC2(CC1)C[C@@H]2CO)C(=O)NN	1944029619	NQWKKDQJUPJQHS-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@H](O)CBr	1953623559	UZDLXJXADNLBIU-NTSWFWBYSA-N	239.113	-0.452	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNCCO)C1	1957319475	VUKFRAXWZNLBSW-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
COC(=O)[C@]1(C[C@@H](O)CCl)CNCCO1	1960143479	MYUKDEUXMQJGMB-APPZFPTMSA-N	237.683	-0.492	50	10	BBGE	
OB(O)c1csc(OC[C@H]2CCOC2)n1	1961693932	GTXNHKXDCZBSON-LURJTMIESA-N	229.066	-0.762	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1962236854	UZXKAIZJLFFGKW-RFCKSZSTSA-N	233.695	-0.281	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1974542495	XCFBXBVMCUNVBB-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1ncc[nH]c1=O	1979657402	DSKDHIGLPNEQLY-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1C[C@H]2O	1981216065	FPRWZDLGZBPUBN-GENCIFFESA-N	227.308	-0.544	50	10	BBGE	
OB(O)c1cnc(N2CC3(CCC3)C2)nc1	1981410477	AGTKDWUZDITLJM-UHFFFAOYSA-N	219.053	-0.853	50	10	BBGE	
CON(CC(C)C)c1ncccc1B(O)O	1981424279	QWNVNONRSQYTIV-UHFFFAOYSA-N	224.069	-0.215	50	10	BBGE	
CCN(CC)c1ncc(B(O)O)c(OC)n1	1981469221	OTQSLJBDFUVQMJ-UHFFFAOYSA-N	225.057	-0.989	50	10	BBGE	
Cn1ncc2cc(C(=O)NNCCO)sc21	1982497932	PKXHRMZNRQQMKW-UHFFFAOYSA-N	240.288	-0.139	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@H](CO)C1	1984129892	KVBLPBXLGXJVNE-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@@H]2CC[C@H](C1)O2	1985254031	AIWISXVDMWPBEZ-RNLVFQAGSA-N	227.264	-0.855	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H]1CF	1985767862	SFQLQUFLVBFLHZ-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@]12CNC[C@@H]1COC2	1991447459	BINUNCSLTSISGN-QCBRBAQYSA-N	244.722	-0.034	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@H]1COC[C@@H]1O	1991705284	CHBACPZLKYZNBY-HIQWKFPQSA-N	247.678	-0.178	50	10	BBGE	
O=C(O)c1cccc(-n2cc(B(O)O)cn2)c1	1995892868	UPHKJLOGOLTTLI-UHFFFAOYSA-N	232.004	-0.750	50	10	BBGE	
CC(C)C[C@H]1CCOCCN1C(=O)C(=O)NN	2002323481	XUJBTKCZNDSPHP-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](C(F)F)C2)nc1	2004912432	SVHUMUBZFYLFDD-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](F)(COC)C1	2009643453	ZNBAFCMFUIFNMJ-SCZZXKLOSA-N	249.286	-0.948	50	10	BBGE	
N#CC1(O)CCN(c2nccc(NN)n2)CC1	2010924036	ATBZEWLHKSPTKV-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1ncc(F)cc1B(O)O	2014926591	PGEPPBHYKUTWMX-IMTBSYHQSA-N	242.034	-0.305	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016372053	XCIBVNIEFRBJMS-AKKLPLMASA-N	239.319	-0.423	50	10	BBGE	
CCN(CC)C1CN(CC(=O)NNC(C)=O)C1	2019207732	CYSMQAMAPSHLEW-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CC[C@H](O)C[C@H]2C1	2024502827	LLFYWDKCNHLXSY-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
CN(CC1[C@H]2CCC[C@H]12)c1ncc(B(O)O)cn1	2052468721	HSVIYEOUTVUETJ-UWVGGRQHSA-N	247.107	-0.361	50	10	BBGE	
O=C([C@H]1C[C@H]1F)N1CCc2c(B(O)O)cccc21	2055635023	ZOKVGEPWOOZJKP-WCBMZHEXSA-N	249.050	-0.387	50	10	BBGE	
CCOc1cc(F)c(B(O)O)c(C#N)c1	2060168543	PGDCGNJYBFHWMS-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
N#Cc1ccc(OC(F)F)c(F)c1B(O)O	2060262579	UGQLNWOPLVLPAY-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
CCOc1c(B(O)O)cccc1C(=O)O	2065276200	MJOALTXPTFGMJW-UHFFFAOYSA-N	209.994	-0.537	50	10	BBGE	
OB(O)c1ccc(CN2CCCOCC2)s1	2211079307	SQSJXGJMBXAYQJ-UHFFFAOYSA-N	241.121	-0.350	50	10	BBGE	
CC1(CO)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838308	FWHHYWHQRZBODK-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
CCCNCCOc1ncccc1B(O)O	2212602961	BDNNNGABGTVDAK-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
C#C[C@H](Nc1ncccc1B(O)O)C(C)C	2212603726	QPYKYLPIINZSGN-JTQLQIEISA-N	218.065	-0.169	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2212612450	IUYNNBGZWGTMOC-IUCAKERBSA-N	222.053	-0.980	50	10	BBGE	
OB(O)c1cccnc1NCc1cnsc1	2212615809	VERZECKGXNWVRV-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC2(F)CC2)n1	2214491480	ROZLMUDCBKMBAI-UHFFFAOYSA-N	240.043	-0.346	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2215775873	JLMPFCMVPYVKGW-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
Cc1nccn(CC2(C(=O)NN)CCC2)c1=O	2216493468	GIKOOQSDLVNMTE-UHFFFAOYSA-N	236.275	-0.288	50	10	BBGE	
CN(C)C(=O)Nc1ccc(B(O)O)c(F)c1F	2217069785	QFRMMSZOPJRFSS-UHFFFAOYSA-N	244.006	-0.262	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](C(F)F)C2)c1	2217175948	PQKZBVYQYRQRQG-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)ccn2)CCO1	2217176253	UFVKZFPDHATRNG-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OCCC1(Nc2nccc(B(O)O)c2F)CC1	2217180511	IGMNHNZCJIHYAT-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
OB(O)c1cccnc1N1CCCC[C@@H](O)C1	2217195801	NRAKUXJADNJXEU-SECBINFHSA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1Cc1cccc(B(O)O)c1	2220061224	CUIOFCDTMVKOFT-GXFFZTMASA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3NCC[C@@H]32)nc1	2223634507	LKMCSMLPRQUPSB-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2C[C@@H]3C[C@H]3CO2)nc1	2223643141	SBHVPBZWXMFZFR-QXEWZRGKSA-N	248.091	-0.402	50	10	BBGE	
CCN1CC[C@@H](Nc2cc(B(O)O)c(C)cn2)C1	2223643812	ARFSHJMYDHRSSY-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2C[C@H]1CN2	2223646959	RIXUIELJVVRJNV-ATZCPNFKSA-N	248.091	-0.719	50	10	BBGE	
Cc1ncc(CNc2cc(B(O)O)c(C)cn2)o1	2223651339	WKDIIZXSILLIQZ-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
COc1ncccc1Nc1ccc(B(O)O)cn1	2223666417	INLGNFSKUUYUHO-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
CCN(C[C@@H]1CCCN1)c1ncccc1B(O)O	2223667332	RHHYNZXISZMFHZ-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1c1ncccc1B(O)O	2223675430	RAZHJNISYAFSDM-ZJUUUORDSA-N	249.123	-0.662	50	10	BBGE	
O=C(NC1CNCCNC1)[C@H]1C[C@H]1Cl	2242024589	QMGCQAUIHKJVNU-JGVFFNPUSA-N	217.700	-0.709	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2242798735	NUJFGRZJUHGUAV-JXUBOQSCSA-N	246.694	-0.422	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CCCO1	2243364355	VTVKGRKZAKSARY-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
C#CCN(CCF)C(=O)C1(B(O)O)CCC1	2243364856	DJYWLMWAVFVXMI-UHFFFAOYSA-N	227.044	-0.185	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2243365185	IXUMRMRDTBWPID-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1occc1B(O)O	2243365456	MTJAANFGROGIMQ-CAHLUQPWSA-N	243.455	-0.684	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@@H]1CF	2243385205	FAQRSSKVGXKGLY-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
CC1(CN)CN(C(=O)C2CC(B(O)O)C2)C1	2243396246	JQVHJCJJQICZQD-UHFFFAOYSA-N	226.085	-0.953	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cc(B(O)O)sn1	2243415069	NTAHGDGRKVXDKK-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
CC(C)N(CCC#N)C(=O)[C@H]1C[C@@H]1B(O)O	2243415684	ZVCKLLCCUQTQFE-IUCAKERBSA-N	224.069	0.000	50	10	BBGE	
C[C@@H](N)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417598	UXFVBAMZAVVQRS-HLTSFMKQSA-N	228.101	-0.517	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243427620	YDMVJKQCHSJSHS-XHNCKOQMSA-N	227.069	-0.850	50	10	BBGE	
C[C@H]1COCCN1CCOCCC(=O)NN	2244036186	IKTUPVDSYUHDGW-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cocc1B(O)O	2244209729	BZJYNIXLQAJBNY-MRVPVSSYSA-N	221.021	-0.758	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2244217098	NNPRRNIVPHUCJW-SSDOTTSWSA-N	223.037	-0.559	50	10	BBGE	
CC#CCCNC(=O)c1cocc1B(O)O	2244217188	OMOYQWHLBFRYMX-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
Cc1ccnc(OCCOC(F)F)c1B(O)O	2246670565	JKYCSQJQWJKIIB-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
CCN(CCOC)C(=O)c1coc(B(O)O)c1	2247734732	JEANNLZATHVJIQ-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)c1ccccc1	2247740683	NZPRKVAMPUOQOZ-JTQLQIEISA-N	231.060	-0.078	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2247747276	LBINTOSBBNLEGF-UHFFFAOYSA-N	236.080	-0.221	50	10	BBGE	
O=C(c1occc1B(O)O)N(C1CC1)C1CC1	2247758254	UNHWUCKVXILBOZ-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791854	PGEDAKPTCKEJHC-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247800266	NGXUUXWLYBCDAE-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247800618	QSXHSEIERMRUSU-NFTFJBJSSA-N	241.096	-0.389	50	10	BBGE	
N[C@H]1CN(C(=O)C2CC(B(O)O)C2)CC12CC2	2247800995	VYOCABIJYWKDAL-HACHORDNSA-N	238.096	-0.811	50	10	BBGE	
O=C(NCCCC1CC1)c1c[nH]nc1B(O)O	2247801296	ZFOLZVLKPLHMAF-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC(C)(C)[C@](C)(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2247804601	HWMDVMLBYSWGBT-VAOFZXAKSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)CN1	2247807972	SKSUOZZGGUFXGN-WOOKNIGNSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccoc2B(O)O)C1(F)F	2247847153	SFHZRHMAQWEZAC-INEUFUBQSA-N	244.990	-0.657	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)CO1	2247857615	WDTOXEIMELNJSH-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CC(C)(NC(=O)C1(B(O)O)CC1)[C@@H]1CCCN1	2247873797	MANHYPOKKQCKRD-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
O=C(NCCN1CC=CCC1)[C@@H]1C[C@H]1B(O)O	2247893952	AQKFBYLECSVRBX-NXEZZACHSA-N	238.096	-0.773	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247896999	MSMSFQFIFMDHLN-IMSYWVGJSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@@H](CO)C1	2247898002	ZJHLCVLJUKEJEM-BBBLOLIVSA-N	241.096	-0.530	50	10	BBGE	
O=C(O)CN(C(=O)C1(B(O)O)CCC1)C1CC1	2248585888	RUOWGZRJKUAVQJ-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
O=C(O)C1=CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248593403	MNSGPNICHMQDOA-RNJXMRFFSA-N	239.036	-0.861	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2249409294	UXSWNCNRJNTWQT-JIGDXULJSA-N	235.048	-0.512	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cc(B(O)O)co1	2249412082	UVFPIARAACDHTO-LLVKDONJSA-N	235.048	-0.509	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C(C)C	2249416691	WEKNQXLTJUOUOL-SNVBAGLBSA-N	235.048	-0.653	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(C)c(B(O)O)c1	2255509185	JANIEPHATVBKGP-NSHDSACASA-N	245.087	-0.184	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1cc(B(O)O)n[nH]1	2255551442	XPVRQPMCTICETP-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncon2)cc1B(O)O	2255736582	QETLWYZDQWPPNR-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1cn[nH]c1	2255736971	XEPKSXHPAIPAFX-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1occc1B(O)O	2255742964	LXPJUNCNUHUVKH-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1occc1B(O)O	2255745026	LNIMKYBZEGKAPB-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	2255785286	SSKSOOPBRMNEAJ-ARWBCZDGSA-N	247.103	-0.182	50	10	BBGE	
Cc1ccc(OCC(=O)NCC#CB(O)O)cc1	2256640644	PXYYOXGUCDFLCY-UHFFFAOYSA-N	247.059	-0.495	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1CF	2297286377	VHSWEDCDQFUPSU-FXQIFTODSA-N	203.261	-0.098	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@H]2[C@H](C[C@H]2O)C1	2297962582	FWJMJHFIGXYNAU-HPENLJRUSA-N	239.319	-0.685	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369308	QDHUVXIOEKVXEF-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298371842	XPHMCBUHOVWTGA-QEYWKRMJSA-N	241.096	-0.410	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377271	KMHQOWJRIIPGFC-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
C#CCCN(C)c1ccc(C=O)c(B(O)O)c1	2301422136	DLVBLHKPBSIIMT-UHFFFAOYSA-N	231.060	-0.362	50	10	BBGE	
O=Cc1ccc(N[C@H]2CCOC2)cc1B(O)O	2301423352	RKIXLROKRANQDV-JTQLQIEISA-N	235.048	-0.620	50	10	BBGE	
N[C@@H]1CC[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303834277	CMHOEDJLWOHJPU-RQJHMYQMSA-N	239.059	-0.808	50	10	BBGE	
C[C@H](O)CCN(C)c1cc(B(O)O)c(F)cn1	2303834851	MTLZFMGJSCZNIY-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CC[C@H]1C2	2312857639	WIDHDYUWMIVZEO-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
C=CC[C@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCN1	2314242610	BGLVYHQROIEYBJ-QWRGUYRKSA-N	248.091	-0.553	50	10	BBGE	
CN(C)c1nn(C(=O)Cl)c(=O)n1C	34289343	XCJGHAXOMLBORF-UHFFFAOYSA-N	204.617	-0.145	50	10	BBGE	
O=C(CN1CCNCC1)NNc1ccccn1	37399760	FLJVNPYJXXWICI-UHFFFAOYSA-N	235.291	-0.570	50	10	BBGE	
CC(C)CC[C@@H](C)NC(=O)C(=O)NN	68945395	QIAAMOSGGSLSNR-SSDOTTSWSA-N	201.270	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCO[C@H](C)C1	82469309	LKHRPMQCPFTQOD-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
COCCN(CC(C)C)[C@H](C)C(=O)NN	82469574	IMDRJTAVODXQRH-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
COCCN([C@@H](C)COC)[C@@H](C)C(=O)NN	82470588	DDJQIPMAATWVBR-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(N)=O)[C@H]1C	83525723	GJMPHNLGQNDDPL-VWDOSNQTSA-N	215.253	-0.255	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1ccnc1C#N	87344543	HVYODGHLJKXDLT-QMMMGPOBSA-N	207.237	-0.058	50	10	BBGE	
CCn1cc(N2CC(=O)OC(=O)C2)cn1	111217703	VYCRYURPPZBTIB-UHFFFAOYSA-N	209.205	-0.207	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(O)CCCC[C@@H]2C1	125475472	KVWMOXBAXHIEMX-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
Cn1cc(S(=O)(=O)N=C=O)cc1C(N)=O	157719693	HXEJSQNSBZMJQG-UHFFFAOYSA-N	229.217	-0.852	50	10	BBGE	
COc1cc(B(O)O)cc(C=O)c1OC	196852041	ZJNQDTUKOWUWDJ-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
N[C@@H](CC1CC1)C(=O)N1CCC[C@H]1B(O)O	197127486	NGDCTNACLXSLPV-IUCAKERBSA-N	226.085	-0.883	50	10	BBGE	
NNC(=O)CCOc1ccccc1CCO	236235875	XDEGELUYOMYUBK-UHFFFAOYSA-N	224.260	-0.020	50	10	BBGE	
NNC(=O)c1cn(C2CCOCC2)nn1	238567575	IIAAPSHFOXGBKS-UHFFFAOYSA-N	211.225	-0.767	50	10	BBGE	
O=C(NC[C@H](O)CO)C(Cl)Cl	238705367	GHUHOHAVVMYIKX-VKHMYHEASA-N	202.037	-0.741	50	10	BBGE	
O=CCCc1ccc2c(c1B(O)O)OCO2	258026846	AYPUAVHMWOREGQ-UHFFFAOYSA-N	222.005	-0.773	50	10	BBGE	
CN1CCC[C@H](C[C@@H](N)C(=O)NN)C1	258998762	MMSNNZLMJZTVIT-HTQZYQBOSA-N	200.286	-0.965	50	10	BBGE	
C#CC[C@@H](C)NC(=O)NNC(N)=S	307405168	JSLLTFUURVVXDI-RXMQYKEDSA-N	200.267	-0.554	50	10	BBGE	
C[C@H](O)CN(CCO)C[C@H](O)CCl	308142266	LZHDMXNJZIYMGY-JGVFFNPUSA-N	211.689	-0.739	50	10	BBGE	
NC(=O)COCCNC/C=C\CCl	379345860	VAIHIMFTTQXYAN-UPHRSURJSA-N	206.673	-0.127	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CC(C)(C)C(=O)NN	384937661	TZGCWIMLIXWJOD-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CC[C@H](CN2CC(=O)OC(=O)C2)O1	398162429	IQYVFZHGJFNVEJ-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
CC[S@](=O)NCc1cc(B(O)O)cs1	404927965	KVHRQJGHWOEGPS-AWEZNQCLSA-N	233.123	-0.799	50	10	BBGE	
N#CC1(O)CCN(CC2(CO)COC2)CC1	685985891	OHAULFLKXQAVFF-UHFFFAOYSA-N	226.276	-0.654	50	10	BBGE	
CCN1CC[C@@H](N(C)CCC(=O)NN)C1	689048357	PZYUVLWEECPAHX-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CN(CCCC(=O)NN)C[C@]12COC[C@@H]1C2	689291530	ZTLMGYWZYOJELD-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](NC(=O)N1CCC(O)(C#N)CC1)C(=O)O	692125243	ZWJHQYHTRHVRGJ-ZETCQYMHSA-N	241.247	-0.480	50	10	BBGE	
CC[C@@H](OC[C@H](COC)OC)C(=O)NN	695709772	LIEXPLJGILXFNN-JGVFFNPUSA-N	220.269	-0.567	50	10	BBGE	
O=C(NCB(O)O)N[C@H]1C[C@H]2CC[C@H]1C2	701941894	APYCRMMUBXMSLL-FXQIFTODSA-N	212.058	-0.514	50	10	BBGE	
C[C@@H](CCO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703421038	AEJBHXNLNJKZMK-FXQIFTODSA-N	213.233	-0.326	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCOC2)C1)C(=O)NN	707277487	BACAJSLLZPHXIT-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1CCc2cccc(B(O)O)c21	712200437	DEXKKYZYGCKDOG-WCBMZHEXSA-N	245.087	-0.089	50	10	BBGE	
C[C@H](CN(C)C)Oc1cc(F)ccc1B(O)O	713942592	TWHLTLABAYMBFO-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
CN(C)CC#CCNS(=O)(=O)CCCl	717890708	DECLEDJFUDHTMG-UHFFFAOYSA-N	238.740	-0.290	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@H]2C1	718160772	OMODHXWUJDKHHD-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
C[C@H]1C[C@@H](Cn2ccc(B(O)O)n2)C[C@@H](C)O1	725124032	CHYPEHOHYRJQEL-MYJAWHEDSA-N	238.096	-0.234	50	10	BBGE	
CC(C)[S@](=O)N[C]1N=C[C@@H](B(O)O)S1	725699221	CZNAGTODCDLMIS-UWORMDEDSA-N	235.119	-0.707	50	10	BBGE	
Cc1ncc(S(=O)(=O)NNC(=O)C(C)C)[nH]1	727350814	BDHSDTQZUMVXHO-UHFFFAOYSA-N	246.292	-0.316	50	10	BBGE	
C[C@@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C	767469244	XLLJZBMMSIYZNV-QMMMGPOBSA-N	245.323	-0.508	50	10	BBGE	
CN(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(N)=O	780999767	BRGCJEGTHAVDTK-SECBINFHSA-N	248.242	-0.367	50	10	BBGE	
CC(=O)NNC(=O)C1CN(CC(F)(F)F)C1	806308352	ROWDTICTXYAHOJ-UHFFFAOYSA-N	239.197	-0.352	50	10	BBGE	
O=C(NNc1cccnn1)[C@@H]1[C@H]2COC[C@H]21	832038866	AHAOIBJKQDDJTI-QMSLJYSESA-N	220.232	-0.188	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H](O)/C=C/C	887152003	RTNGOIBWVIAPLR-IYNCYZAOSA-N	224.260	-0.126	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)C1CC1)n1cnc(C#N)n1	1116902695	JSXPNJVHAMFVDQ-LURJTMIESA-N	248.246	-0.732	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc2[nH]cnc12	1292131823	YFTPFELFAFHBNE-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
C[C@@H](CCN(C)C)C(=O)NNC(=O)C(C)(C)O	1296524932	RXHDAEZTZJPLGA-QMMMGPOBSA-N	245.323	-0.508	50	10	BBGE	
N#CCCNC(=O)NNC(=O)[C@@H]1CCCCO1	1312603971	CNTMIPAHBBQLRC-QMMMGPOBSA-N	240.263	-0.200	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2ncncc2F)O1	1329515340	ACWRYCLACHMHMH-ZCFIWIBFSA-N	240.194	-0.236	50	10	BBGE	
C=C(CO)C(=O)NNc1nccnc1OC	1451572850	VVRJISHJWNZTDE-UHFFFAOYSA-N	224.220	-0.523	50	10	BBGE	
C=CCONC(=O)NNC(=O)c1cccnn1	1470184883	FFRVMAONMBVJIL-UHFFFAOYSA-N	237.219	-0.462	50	10	BBGE	
O=C(Cc1ccccc1)NNC(=O)c1cnn[nH]1	1543026535	FTKFLMOLFUDLIY-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)NC2CC2)c1O	1626791062	XABVVYYHXSFFCO-UHFFFAOYSA-N	239.235	-0.470	50	10	BBGE	
Cc1cccc(S(=O)(=O)NNC=O)c1	1858080918	WWRJWPGIXYVIKH-UHFFFAOYSA-N	214.246	-0.066	50	10	BBGE	
CC(=O)N(C)NS(=O)(=O)c1c(C)n[nH]c1C	1858081310	DITWWDQZWCYDIF-UHFFFAOYSA-N	246.292	-0.302	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCCO1	1885133860	AOWNMKPDKRBMBJ-UHFFFAOYSA-N	209.196	-0.361	50	10	BBGE	
CNS(=O)(=O)C1CN(C(=O)CCCl)C1	1887064490	KUPGSFIBYCCFTJ-UHFFFAOYSA-N	240.712	-0.625	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@H]1C[C@H]1Cl	1893474201	GDIZNXHDSJVRPN-NKWVEPMBSA-N	221.684	-0.137	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1893950610	LEZRWYJLDACIEF-XLPZGREQSA-N	219.260	-0.983	50	10	BBGE	
CCn1nnc(CNC(=O)CCCl)n1	1894803186	SQDIYOXEVCLIHQ-UHFFFAOYSA-N	217.660	-0.062	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1896908884	IYKUKJWJJKCDSZ-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
C[C@@]1(Cn2ccc(B(O)O)n2)CC=CCO1	1901361753	LKQSQIKQOVBGMF-JTQLQIEISA-N	222.053	-0.702	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(B(O)O)cc1	1901426211	RSRPSJCQRAMYAI-VIFPVBQESA-N	223.037	-0.924	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	1908896575	AKNJMBCMDXWAEV-RCWTZXSCSA-N	238.335	-0.609	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)C(=O)C1	1912224418	YTWHBGILLBFEJP-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
COc1cc([C@@H](N)B(O)O)cc(OC)c1OC	1912278440	ZZFSKCVHZFBTCB-SNVBAGLBSA-N	241.052	-0.276	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914023263	RQVINAJVTMWACA-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(C1)CC2(F)F	1914523001	XKIBNDNCNVYHTH-ZCFIWIBFSA-N	235.234	-0.668	50	10	BBGE	
CC(C)[C@H]1CCN(CCOCC(=O)NN)C1=O	1914813517	JFWDSMYTKDJOGD-SECBINFHSA-N	243.307	-0.503	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2C[C@H]2C1	1927917930	YYERXVQGSYIHDT-AATLWQCWSA-N	209.293	-0.046	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1COC[C@@H]1CO	1928736507	WAQJVHSXYZKITF-GJMOJQLCSA-N	221.684	-0.015	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@H]1C1CC1	1930436519	ZSTYZYYRDZSZDR-YUMQZZPRSA-N	211.265	-0.329	50	10	BBGE	
NNC(=O)C(=O)NCC(F)(F)CC1CC1	1930625656	WELICKYHKVPZKM-UHFFFAOYSA-N	221.207	-0.472	50	10	BBGE	
C[C@@]1(C2CC2)COCCN1CCC(=O)NN	1936111023	HTXIHRGPCVXEKF-NSHDSACASA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCCO2)C1)C(=O)NN	1936297798	SHXMKCQPDBWXOR-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C[C@@H]1C	1936535235	NATIRBKMQUKXLC-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CSC[C@H]1CCCN1CCOCC(=O)NN	1936537032	XVUPLEXHXAZQOZ-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CC(O)C2)C1	1937042391	PHVLQNMPGITEKZ-SFYZADRCSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](Cl)CN(C)C(=O)Cn1cnnn1	1937159026	CTIGSKBHOLJBTL-ZETCQYMHSA-N	247.686	-0.615	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1938377004	XDXGTWXZQRZGLB-AXTSPUMRSA-N	227.308	-0.687	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@@]2(C1)CC2(F)F	1939536748	PNUCNITXPSCNCN-YLWLKBPMSA-N	233.218	-0.330	50	10	BBGE	
NNC(=O)c1coc(CO[C@H]2CCCOC2)n1	1947169189	NCLQNDRUNYBRAR-ZETCQYMHSA-N	241.247	-0.026	50	10	BBGE	
Cn1cnc(Cl)c1CNC(=O)NN	1953925606	ILUWZXQPWHIGNS-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
O=C(NCB(O)O)Nc1ccsc1	1954090958	KAOXTXCRMUYPRD-UHFFFAOYSA-N	200.028	-0.118	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCl)C[C@H]12	1954821268	VONHDLDKSJZIHH-WDSKDSINSA-N	202.641	-0.570	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](COC)C(N)=O	1955570598	ZEOUKPYTOMCSBD-NTSWFWBYSA-N	222.672	-0.380	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)C[C@H](O)CCl	1956254623	NTAHXOKFEATYDG-HTQZYQBOSA-N	222.716	-0.100	50	10	BBGE	
CCC[C@@H]1CCOCC[C@@]1(N)B(O)O	1956321952	NKEYUYJASCKOND-BDAKNGLRSA-N	201.075	-0.077	50	10	BBGE	
COC[C@H](Sc1cc[nH]n1)C(=O)NN	1957153269	HAFLJIJKXWZYLS-YFKPBYRVSA-N	216.266	-0.493	50	10	BBGE	
CO[C@H]1CN(C[C@@H](O)CCl)[C@@H]2COC[C@@H]21	1958122894	QNPNPPQZEKHJOB-QEYWKRMJSA-N	235.711	-0.068	50	10	BBGE	
CCN(CCCCO)CCCC(=O)NN	1958352177	CFQICHQQTPUQJP-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1958805286	QUZJZKSOSFVZAH-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
NC(=O)[C@@H]1COCCN1CCOCCCl	1960166464	WCNLVZHSOYGKSX-QMMMGPOBSA-N	236.699	-0.572	50	10	BBGE	
O=C(NCB(O)O)C1CC(CC2CC2)C1	1961171173	QCPQMHWCWAKKPC-UHFFFAOYSA-N	211.070	-0.059	50	10	BBGE	
Cc1ccnc(O[C@H]2C[C@H]2C)c1B(O)O	1961688528	VIQLQUYVNYKKEO-SFYZADRCSA-N	207.038	-0.143	50	10	BBGE	
Cc1nc(O[C@H]2C[C@H]2C)ncc1B(O)O	1961694988	XFBXFOBRMWEDIW-XRGYYRRGSA-N	208.026	-0.748	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@H]3C2)n1	1961718171	LAKGXSLMUZFIPK-BQBZGAKWSA-N	224.094	-0.331	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1962236849	UZXKAIZJLFFGKW-FTZBPAMFSA-N	233.695	-0.281	50	10	BBGE	
C[C@H]([C@H]1COCCO1)N1CC(=O)OC(=O)C1	1976574362	WSTXOZSNZBEDMU-HTQZYQBOSA-N	229.232	-0.824	50	10	BBGE	
CON(CC1(C(=O)NN)CC1)[C@@H]1CCOC1	1978750665	OSOIUMLBKNKNKN-MRVPVSSYSA-N	229.280	-0.591	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C[S@@](C)=O)C1	1979478930	AHFFSFZYBCARMQ-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
Cl[C@H]1COC[C@@H]1CCNCCn1cnnn1	1979873816	BEBUXUYMBSUORV-IUCAKERBSA-N	245.714	-0.093	50	10	BBGE	
CCOc1cc(C=O)cc(B(O)O)c1OC	1981351829	TTYUOGUGSJTVFJ-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](F)[C@@H](CO)C1	1983560016	PPFRFRUWJHUBPT-BDAKNGLRSA-N	233.287	-0.591	50	10	BBGE	
COCCCN(C)CCC(F)(F)C(=O)NN	1984130155	OVGNUMYMTABZDV-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCCn1cccn1	1986445579	NAPUZMDKDWJHNP-IUCAKERBSA-N	224.264	-0.474	50	10	BBGE	
C[C@H](CN(C)CCC(=O)N(C)C)C(=O)NN	1987933733	ZKXKRZAOTNXTHT-MRVPVSSYSA-N	230.312	-0.978	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]12CCOC[C@H]1C2	1990384359	XPWPCGFAHUPETQ-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
C=C[C@@]1(O)CCN([C@@H](CCC)C(=O)NN)C1	1990539523	LOSUMULKKGRYLQ-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
OB(O)c1cnccc1N1[C@H]2CCC[C@@H]1C2	1992322723	UIPDDHLVRMTBGA-DTORHVGOSA-N	218.065	-0.107	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)C[C@H]1CO	1993217100	GHHLHOKWEIFNOD-YUMQZZPRSA-N	247.678	-0.348	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(CC(C)(C)C(=O)NN)C1	2000965957	ASTBWGGRMRQTJC-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
Cc1nc(OC[C@@H]2CCOC2)ccc1B(O)O	2004935711	PEURNMPQQRHMQA-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
CN(OCC(F)(F)F)c1ncccc1B(O)O	2004935938	SAWJATAACKNSNX-UHFFFAOYSA-N	249.985	-0.309	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Oc1ncccc1B(O)O	2004951583	NPJRJCCKRCZIKT-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
Cc1nc(N2CC[C@H](CF)C2)ccc1B(O)O	2005018607	WHTRFDDICWZZGA-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(F)(CO)C2)C1	2010834391	CBLOOGWTKPNQBH-BDAKNGLRSA-N	245.298	-0.591	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012639641	MNJLAUAZARIGIL-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)CC1(C(=O)NN)CC1	2015791100	RJQGEWSCEMFXCB-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
COC[C@](C)(CN(C)C[C@H](C)C(=O)NN)OC	2021121226	KNDFRWFRDKPKCS-ONGXEEELSA-N	247.339	-0.404	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1cocn1	2031814859	JTQMQWVFQGNBEY-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3cccc(B(O)O)n3)C[C@H]12	2042945751	XXNJXPYJWJTDCJ-DNSOKLHBSA-N	246.075	-0.254	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCC[C@H]3C2)c1B(O)O	2052553855	MQDMYVGDXBAUQS-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
Cc1ncnc(N2CCC23CCCC3)c1B(O)O	2052560165	ULUYBMVJGQYCHN-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)c1nc(C)ncc1B(O)O	2052617675	HEPDDSRJGQFGLN-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(N2CC[C@]3(CCO3)C2)ncc1B(O)O	2052626182	TTXDMRSBWYXSPG-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
COc1nc(N2CC[C@H]3CC[C@@H]32)ncc1B(O)O	2052628343	ZCRHJRNHIHJQMI-APPZFPTMSA-N	249.079	-0.846	50	10	BBGE	
Cc1cnc(S[C@@H](C)[C@H](C)O)cc1B(O)O	2212600946	GMFOMDUTYXTZEO-YUMQZZPRSA-N	241.121	-0.069	50	10	BBGE	
COC[C@@H](C)CNc1cc(B(O)O)ccn1	2212602647	HJYLHEIFLJENEN-QMMMGPOBSA-N	224.069	-0.544	50	10	BBGE	
Cc1cnc(N2CC[C@H](F)C2)cc1B(O)O	2212604106	MHCQDCHDTDNRGO-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
OB(O)c1ccnc(N2CC=C(F)CC2)c1	2212610400	IERKHOUCAJJNPJ-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
CCCOCCN=c1ccc(B(O)O)c[nH]1	2212615459	PIPKOTJADURYLJ-UHFFFAOYSA-N	224.069	-0.978	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1OCC[C@H]1C(F)(F)F	2212645823	YRQPERUOSSXVHL-DMTCNVIQSA-N	241.169	-0.347	50	10	BBGE	
CCN([C@H]1CCC[C@@H]1O)[C@H](COC)C(=O)NN	2212901795	VESMNYFKHGPNME-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CC[C@@H]1O	2215770542	CHUMLDDJGSLQDS-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@H]1CC[C@@H]1C(=O)NN	2215772093	LUUTXXPHNNHTBS-BDAKNGLRSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@]12CCOC2	2215777079	QMYAIZHEVFKYED-FOGDFJRCSA-N	239.319	-0.133	50	10	BBGE	
COC[C@@H](C)[C@H](C)Nc1ccc(B(O)O)cn1	2217177901	OXDKIOPKBSIHHC-BDAKNGLRSA-N	238.096	-0.156	50	10	BBGE	
COC(=O)C[C@@H](C)Nc1ncccc1B(O)O	2217179287	JAORFAFVHABQOH-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CNC[C@@H](Oc2ncccc2B(O)O)C1	2217180849	LGTMRYLCMBWAMK-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
C[C@H](CCO)CNc1nccc(B(O)O)c1F	2217183129	FXTRFCSETCQEEN-SSDOTTSWSA-N	242.059	-0.669	50	10	BBGE	
CC(C)(C)OCCOc1cc(B(O)O)ccn1	2217188524	PJMBHPZLEGKSRU-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCCC[C@H]2C3)nc1	2217196613	TVHCIPRZELGFJT-GZMMTYOYSA-N	233.080	-0.099	50	10	BBGE	
OB(O)c1cccnc1NCc1cnccn1	2217197347	LKZIBXNXGICMON-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
COC[C@H]1C[C@H]1CNc1ncccc1B(O)O	2217198637	DPIOMRQDGZPQRZ-DTWKUNHWSA-N	236.080	-0.544	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2217201582	YVJWVQMJRAGTRY-LALMQGGXSA-N	230.076	-0.172	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@H]2C)cc1B(O)O	2223648287	JMEWTWQKJDJTEV-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
O=C(NO)c1c(Cl)cccc1B(O)O	2241584971	WLBFJUBIHUYGGY-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
C=CCOCCCNC(=O)C1(B(O)O)CC1	2243363628	JVDMFSCSYUYCIA-UHFFFAOYSA-N	227.069	-0.298	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cc(B(O)O)cs1	2243385146	DFMLIGGLXTVJRN-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
COCC1(N(C)C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243393058	ZTIGQSTYTROUTF-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2243398898	UXMQACCHZFJFNE-JGVFFNPUSA-N	227.069	-0.920	50	10	BBGE	
O=C(c1ncc(B(O)O)cc1Cl)N1CCC1	2243398981	WEYCHJKVKLSOTK-UHFFFAOYSA-N	240.455	-0.739	50	10	BBGE	
CCC[C@H](CCO)NC(=O)C1(B(O)O)CC1	2243410307	ZGOQFGVWRXTCGV-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
O=C(C[C@@H]1CC=CCC1)NCC#CB(O)O	2243665021	PAPBGVCVWGYFHO-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)s1	2244147570	XUHXPQKPJIGUMI-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
Nc1ccccc1C(=O)NCC=CB(O)O	2244499609	XTPOKENSLYVYNK-UHFFFAOYSA-N	220.037	-0.433	50	10	BBGE	
CCN(CCF)c1nc(OC)ccc1B(O)O	2247143712	MRKFLHKREQHVAY-UHFFFAOYSA-N	242.059	-0.434	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1coc(B(O)O)c1	2247731932	AXUHSMSZBQYROH-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
CC1CC(C)(NC(=O)c2coc(B(O)O)c2)C1	2247733512	NYGCKJUFPQUGTN-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1(C)CCC1	2247739844	CACLDQJMQPUMNG-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1C(=O)C#CB(O)O	2247743269	BFIGAUHFCARNJS-ZJUUUORDSA-N	239.080	-0.846	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]1CNC2)C1(B(O)O)CC1	2247750176	FUZJLXKXUKEMFE-YUMQZZPRSA-N	238.096	-0.892	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CCCO1	2247752333	NDUCJOKCLHFPJO-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
CC[C@@H](C)CCNC(=O)c1cc(B(O)O)n[nH]1	2247784564	XIEPEHGTRAKSKU-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785022	FAAZFIJAOQTNPP-OIBJUYFYSA-N	237.068	-0.992	50	10	BBGE	
NCC1(NC(=O)C2CC(B(O)O)C2)CCCC1	2247797847	NNIKLKXPHUQMSB-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
CC(C)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CNC1	2247805128	JNXZKOLTHCJENO-ZJUUUORDSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNC(=O)C1CC(B(O)O)C1	2247806190	MRUFJNMHKNYEBU-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](O)C[C@@H](F)C1	2247806872	OUUMUOXESFRWCB-FNCVBFRFSA-N	245.059	-0.829	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2247809093	NTRGZXHIINTMIP-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC(O)CC1	2247809286	OQMSUTIAPNULMX-BMNUFHGDSA-N	241.096	-0.389	50	10	BBGE	
CC(F)(F)[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247851405	FJMQUCAODBOPMA-MRVPVSSYSA-N	245.034	-0.104	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)[C@H](C)CN1	2247856744	MXBIYYHFYDCIKY-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccncc1B(O)O	2247856758	NGFGDOIDRTUGKC-MRVPVSSYSA-N	232.048	-0.790	50	10	BBGE	
O=C(NCCC1CCNCC1)[C@H]1C[C@@H]1B(O)O	2247898554	FNBQDWCOCZTHCD-UWVGGRQHSA-N	240.112	-0.645	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CCN[C@H]2C1	2247909687	KNXBNZQZSKCHBW-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H](CF)NC(=O)Nc1cccc(B(O)O)c1	2247981791	YDAHSARQFCLYOX-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
CCN(C[C@@H](C)C(=O)O)C(=O)C1(B(O)O)CC1	2248578183	QSGXIBKMHBMUED-SSDOTTSWSA-N	243.068	-0.437	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2248587598	RSCMDGJOUCXZOX-FXQIFTODSA-N	243.068	-0.439	50	10	BBGE	
NNC(=O)c1coc(CO[C@H]2C=CCOC2)n1	2249282730	YOBZUYCNGBNMHY-ZETCQYMHSA-N	239.231	-0.250	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1ccc(B(O)O)o1	2255460532	VGGDXWPBRLJUAQ-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2ccoc2B(O)O)C1	2255466782	DVNCNPGFZZXYHD-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
COc1cccc(OC)c1NC(=O)C#CB(O)O	2255468180	XCRAHLMFSWKWLK-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
C#CC1CN(C(=O)c2cccc(B(O)O)c2F)C1	2255505038	VFTUHTJDMPENDH-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
O=C(O)CN(C(=O)C#CB(O)O)c1ccccc1	2256918747	OXHSIUCIAXFNHA-UHFFFAOYSA-N	247.015	-0.880	50	10	BBGE	
COc1c(C)cccc1CNC(=O)C#CB(O)O	2257560872	WWSYIRLQIXEQFV-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
CC(=O)NN=c1[nH]onc1-c1n[nH]c(C)n1	2295355897	WEJWTEXVPYYQSE-UHFFFAOYSA-N	223.196	-0.952	50	10	BBGE	
CC(C)[C@@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463582	MXHLTALLAFNELH-MATHAZKKSA-N	243.068	-0.535	50	10	BBGE	
OB(O)c1cc(F)c(F)c(O[C@H]2CCOC2)c1	2300478784	RZKXQBPHBPWTNC-ZETCQYMHSA-N	244.002	-0.188	50	10	BBGE	
COCCN(C)c1ccc(C=O)c(B(O)O)c1	2301452956	OLBOGPOSFZNKOJ-UHFFFAOYSA-N	237.064	-0.739	50	10	BBGE	
Cc1ccnc(N(C)C[C@H]2CCO2)c1B(O)O	2302413172	SBKIHUSNZDPMKW-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC(C)N1CC[C@@H](N2CC[C@@H](B(O)O)C2)C1=O	2303104496	JGGSFTCXWISEJH-NXEZZACHSA-N	240.112	-0.456	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@]2(C)CCOC2)C1	2303112074	PHNARPXCDXQTMD-GHMZBOCLSA-N	241.096	-0.122	50	10	BBGE	
C[C@H]1COCCN1c1cc(B(O)O)c(F)cn1	2303835197	SFERPEQMNRYVHH-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cc2C#N)CO1	2317151080	MVANNTLMCDZEOM-LDYMZIIASA-N	246.075	-0.173	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCCN1	2317164929	FWWOUXUCXJBYFQ-NSHDSACASA-N	245.091	-0.598	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)c1ccccc1B(O)O	2318632136	PEEJSXNGEQOAOK-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
COC(=O)CC[C@H](N=C=O)C(=O)OC	1604380	ZMRPWTVIVPCQBI-LURJTMIESA-N	201.178	-0.183	50	10	BBGE	
COCCCN(C)[C@@H](C(=O)NN)C(C)C	82469230	ISGBRRFKWNIIKD-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCCN(C)C	82544104	RYQVLUOFKVUTFW-JTQLQIEISA-N	230.356	-0.116	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CCO)C1	125282141	BYUCRZPWYMGFJN-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CNC2CC2)[nH]n1	182538346	AMQILWMFEYRUNF-UHFFFAOYSA-N	237.263	-0.769	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)cc1[N+](=O)[O-]	205305830	UCSWOLRZXJXPHO-UHFFFAOYSA-N	223.981	-0.767	50	10	BBGE	
NNC(=O)/C=C\c1ccc(C(N)=O)cc1	208426816	BOMYWCJCXXZQIK-UTCJRWHESA-N	205.217	-0.211	50	10	BBGE	
OB(O)c1cnc(-n2cccc2)cc1F	238654494	HHZQAHZHQQCPJY-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CCN(C)C1	251240217	SRIIKHAHTIATKE-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@H](C)C(=O)NN)C1	252788846	XJLGQMIDRFSSMX-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)CC#N	300000140	YQRKMSYIBHCXOE-SFYZADRCSA-N	214.269	-0.775	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C(C)(C)C1	304479359	BPNSWODONWDFLQ-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1CS(=O)(=O)C1	306667800	VURNUJOJSZESHT-YFKPBYRVSA-N	225.697	-0.226	50	10	BBGE	
OB(O)c1cc2sccc2c(O)c1O	306692715	RZHXFHBGMGKLGJ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@H](Nc1nc(N)nc(CCl)n1)C(N)=O	307157858	RFKNWBSMWNVCHV-VKHMYHEASA-N	230.659	-0.522	50	10	BBGE	
C[C@@H]1NC[C@H](I)C(=O)N1	307759636	SLQAJRFYESMPCU-DMTCNVIQSA-N	240.044	-0.145	50	10	BBGE	
CNC(=O)CNC(=O)CSSC	308001576	ZWXARTJLMYPOEF-UHFFFAOYSA-N	208.308	-0.140	50	10	BBGE	
CNC(=S)NNC(=O)c1cccnc1N	309097329	DIRMMHBTKWWJDM-UHFFFAOYSA-N	225.277	-0.598	50	10	BBGE	
O=C(NN[C@@H]1CNC[C@H]1O)C1CCCC1	378702465	OCEIGRLIKFKHQK-RKDXNWHRSA-N	213.281	-0.870	50	10	BBGE	
Cc1nnn(CCNC(=O)CCl)n1	379375858	QVHMTZZZYNVLJH-UHFFFAOYSA-N	203.633	-0.663	50	10	BBGE	
COC(=O)CCO[C@H]1CNNC(=O)[C@@H]1Cl	379871091	QNLWZUXYCKNVRB-CAHLUQPWSA-N	236.655	-0.824	50	10	BBGE	
COCC(COC)NC(=O)NC(=O)CCl	384227125	FMSCFZVEFWZQAX-UHFFFAOYSA-N	238.671	-0.288	50	10	BBGE	
CCOC1=C/C(=N/NC(N)=O)CC(=O)O1	389435717	CLQMHLNCRZEGOT-BJMVGYQFSA-N	213.193	-0.165	50	10	BBGE	
CC(C)C1(O)CN([C@H](C)[C@H](C)C(=O)NN)C1	394906058	JQUQSUUBLDTMKZ-DTWKUNHWSA-N	229.324	-0.296	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(O)cc(B(O)O)c1	396019668	GHWNNBJKUKBCLK-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(CC(=O)O)c1	396138302	OTCGDSCDLYJKJI-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CCCC(=O)NN	399399991	GEODEPOWBDMFEF-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
O=S(=O)(CCl)NCC[C@]1(O)CCOC1	404142340	IVFWIQDCXZKDMP-ZETCQYMHSA-N	243.712	-0.356	50	10	BBGE	
Cc1oncc1C(=O)Nc1cccc(B(O)O)n1	405003460	BHMPSCGAEMJPJW-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(C)C(=O)NCc1cc(B(O)O)ccc1F	405131472	GJMPXKHFXQJANW-UHFFFAOYSA-N	240.043	-0.723	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1CCBr	575471902	UOBLDJPVFHJPEZ-NKWVEPMBSA-N	224.098	-0.191	50	10	BBGE	
CN1CCO[C@@H](CN2CCC(O)(C#N)CC2)C1	685996267	MSHGZLSAYPNSSN-LLVKDONJSA-N	239.319	-0.333	50	10	BBGE	
C[C@H](O)[C@H]1CCCN([C@@H](C)CC(=O)NN)C1	688958277	JUFYGNDFKCIFAC-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CN(C)Cc1cccc(NC(=O)C(=O)NN)c1	689424272	FAOIGPAECZZOND-UHFFFAOYSA-N	236.275	-0.323	50	10	BBGE	
CC(C)[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703477573	YWIDZAZOUKFUAQ-CIUDSAMLSA-N	227.260	-0.080	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1CCC[C@H]1O	708050023	DEJMAEYTELUWHM-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCS1	718300791	WADBRKVMMMYHFR-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
COc1ccc(B(O)O)c2c1CCCC2=O	725273317	URYYTSOAPBLTQG-UHFFFAOYSA-N	220.033	-0.106	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C=C(Cl)C(Cl)=N1	725701360	JWNIVHXQACMWLS-SCSAIBSYSA-N	236.851	-0.743	50	10	BBGE	
NNC(=O)NCCN1C[C@H]2CCCCN2C1=O	851676077	CGGJOLJHXVNUIX-MRVPVSSYSA-N	241.295	-0.551	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NNC(=O)C(C)(C)O	907627680	SRHSQHCYMWSUDR-XLPZGREQSA-N	244.291	-0.424	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnc1	929166439	VNFZIGIMOUOUHA-RKDXNWHRSA-N	235.243	-0.123	50	10	BBGE	
O=C1NC(=O)N(CC[C@@H]2CO2)C[C@H]1Cl	953055245	IBGKUWYYNIHYQJ-PHDIDXHHSA-N	218.640	-0.066	50	10	BBGE	
Cc1cc(NC(=O)c2cccc(B(O)O)c2)no1	1135771516	MPJUUFPZBOPPKY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COC(=O)N(C)NC(=O)CCCc1nn[nH]n1	1140405711	GJFVKFRSAFBXAL-UHFFFAOYSA-N	242.239	-0.748	50	10	BBGE	
C#CCNC(=O)NNC(=O)c1cccnn1	1221155887	VGFIOKFIXXUROU-UHFFFAOYSA-N	219.204	-0.946	50	10	BBGE	
CS/C=C/C(=O)NNC(=O)c1cn(C)nn1	1261748308	JIXRFWPZHRPBLN-ONEGZZNKSA-N	241.276	-0.547	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CCCCC(N)=O	1343129626	XQYSLAQWAXAMSG-UHFFFAOYSA-N	244.295	-0.229	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1ncccn1	1464016855	LCEXFLIQKUONTH-ZZZKRKDRSA-N	208.221	-0.143	50	10	BBGE	
O=C(NNC(=O)c1ccc[nH]1)c1cccnn1	1539096531	GGAZIBJLLOSOEK-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC	1583197413	GECNBYNDIBNBBL-RQJHMYQMSA-N	213.237	-0.462	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cncnc1	1583707740	DJINADZJFFVJIE-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1ncccn1	1588245005	RIPSGKLDUAWTAZ-UHFFFAOYSA-N	219.208	-0.720	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1cnn[nH]1	1628420884	CXMUDAPAVMIIST-UHFFFAOYSA-N	222.208	-0.740	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NOCCO)cn1	1634570938	FAISQEKWTVLTBB-WTKPLQERSA-N	236.231	-0.633	50	10	BBGE	
CC(=O)N1CC(C(=O)NNc2ccncn2)C1	1635933986	IRWOTHORPWBZQF-UHFFFAOYSA-N	235.247	-0.602	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)CCCl)C(=O)O	1866011572	RQOABGCSFFZLOT-UJURSFKZSA-N	209.629	-0.435	50	10	BBGE	
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NN	1879957417	BHYBSPVXZISMQD-LURJTMIESA-N	233.268	-0.484	50	10	BBGE	
CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1880022377	BTEGYBLZMQZGHV-SSDOTTSWSA-N	246.311	-0.569	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NC1CC(Cl)C1	1881719463	RHUGGDGWRQMXPG-WMXYBCMPSA-N	206.673	-0.420	50	10	BBGE	
NNC(=O)CCSC[C@H]1CCNC1	1883299832	VKUNUTSSUXNMAD-ZETCQYMHSA-N	203.311	-0.291	50	10	BBGE	
OCC1(CO)CCN1C[C@H](O)CCl	1883349979	RZXJCTKKOWVNOA-SSDOTTSWSA-N	209.673	-0.985	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1883648390	ZNDPSIYRKRJZPL-ZPYNKGFJSA-N	204.613	-0.702	50	10	BBGE	
OC[C@H]1[C@H]2C[C@H]1N(C[C@H](O)CCl)C2	1884049424	WEYZFOULDRCOCB-UYXSQOIJSA-N	205.685	-0.101	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@@H]2CCCO[C@@H]21	1884454271	UFRCRGFVBUBVHL-RNJXMRFFSA-N	200.238	-0.976	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@H]1C	1885870921	BSRIVPJLYWKHNY-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1886137304	FRAVSKITULKMHK-BIIVOSGPSA-N	221.684	-0.042	50	10	BBGE	
CN1CC[C@H]1COCCCC(=O)NN	1886369895	FPAJGICGDDBJHI-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CN(NC(=O)NC1CC1)S(C)(=O)=O	1888571393	HKWDKFLLWYFKAD-UHFFFAOYSA-N	207.255	-0.746	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@@H]2C[C@@H]2Cl)N1	1893098481	ITQBHXBZDBISJO-RNJXMRFFSA-N	238.740	-0.105	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1Cl	1893461583	QKEPPSXUPQDPKW-WCTZXXKLSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C)C1=O	1893839980	TVDWEJVXEHDWNG-ZETCQYMHSA-N	214.269	-0.488	50	10	BBGE	
C=CC1(NC(=O)c2cnsc2B(O)O)CC1	1900467568	SZWCQWPMNULSRT-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
C[C@@H]1CC[C@@](N)(C(=O)NN(C)S(C)(=O)=O)C1	1901377936	UYJRFBITPLCPBN-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@](C)(O)C1	1901757104	NXMHYTCBGLPHSS-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
Cn1ccnc1CN1CC[C@](C)(B(O)O)C1	1902517580	JLMFXAHMYCRRCJ-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
C=C[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903005824	LEPRRGOFZXXQDX-ZETCQYMHSA-N	224.044	-0.444	50	10	BBGE	
CCc1cnn(CCN(C)CC(=O)NN)c1	1904372419	ZZJXHXBMHRWBLL-UHFFFAOYSA-N	225.296	-0.633	50	10	BBGE	
C[C@@H](CN(C)C1(C)COC1)C(=O)NN	1907524097	FVOBLXSWMMSHGC-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@@H]21	1908330652	YTCIEXNTJFYWTH-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
CCN(CCC(=O)NN)S(=O)(=O)CC	1913827045	BLCBNBQGKHVJDU-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C(C)(C)C(N)=O	1915525643	ZLSPLVKNLWOCLB-ZETCQYMHSA-N	230.312	-0.659	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1927915619	IZODRPXLSKWOQP-BIIVOSGPSA-N	211.265	-0.519	50	10	BBGE	
O=C(COC1CCCCC1)NCB(O)O	1927958353	ZKGRVAYKNAXOIP-UHFFFAOYSA-N	215.058	-0.536	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1928557722	YCPJHNJTBKWZRF-MRTMQBJTSA-N	213.281	-0.931	50	10	BBGE	
O=C(Cn1ccnn1)N[C@@H]1COC[C@@H]1Cl	1928685312	ODUMKNRKFASAJO-NKWVEPMBSA-N	230.655	-0.600	50	10	BBGE	
CC(C)(C)N(CCO)C[C@H]1C[C@@H]1C(=O)NN	1936082024	CEDXUDNCJLBBLH-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCO)CC1CC1	1936082249	DAHYXBYSEGFDIJ-ZJUUUORDSA-N	227.308	-0.683	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O	1939891057	QDBOXDVWTAXFSY-BIIVOSGPSA-N	227.264	-0.032	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)C1O	1941093348	PFNAEHQFCVVIJH-DOLQZWNJSA-N	241.335	-0.439	50	10	BBGE	
Cc1nnc(CN(C)CCCC(=O)NN)n1C	1943111491	MFVVAPQAUMXORD-UHFFFAOYSA-N	240.311	-0.675	50	10	BBGE	
O=C(NNCCO)[C@H]1Cc2ccccc2CO1	1944211544	MBLMNYUCGCKMNO-LLVKDONJSA-N	236.271	-0.259	50	10	BBGE	
CN(Cc1nncn1C)CC1(C(=O)NN)CC1	1945894916	WYEWXERKXWCIJS-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
O=C(NC1CCC1)N1CC[C@@H](B(O)O)C1	1951321005	VYSRLPLGGGOADV-SSDOTTSWSA-N	212.058	-0.203	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@](C)(O)CCO	1954724818	JHICCEJRQUKDPK-XPUUQOCRSA-N	209.673	-0.137	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NNCCO)CO1	1955379350	CRQNFXTXYGAXDZ-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCB(O)O	1956200254	WICZMCPLFUJPSO-RFZPGFLSSA-N	206.985	-0.594	50	10	BBGE	
NC(=O)C[C@H]1CCN(C[C@@H](O)CCl)C1	1956252172	NDBNKNHOPFTQJZ-SFYZADRCSA-N	220.700	-0.217	50	10	BBGE	
OC[C@]1(O)CCN(CCOCCCl)C1	1956252927	WFWHWKMGXOSARV-VIFPVBQESA-N	223.700	-0.329	50	10	BBGE	
C[C@H](O)[C@@H](CO)NS(=O)(=O)CCCCl	1957186192	IUAMRJFJCFVSBJ-NKWVEPMBSA-N	245.728	-0.724	50	10	BBGE	
OB(O)c1ccn(CC2(F)CCCC2)n1	1960461669	QRHKGMXPBFHGHZ-UHFFFAOYSA-N	212.033	-0.155	50	10	BBGE	
CCN(C)Cc1c(C(=O)NN)cnn1C	1961177136	IJIUPRUOYFMHRB-UHFFFAOYSA-N	211.269	-0.525	50	10	BBGE	
OB(O)c1ccc(-n2cc(Cl)cn2)nc1	1961710690	URPFTPHSCSWUKV-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCC2)n1	1961717829	GVRYNANTWPRIDV-UHFFFAOYSA-N	206.054	-0.330	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(OC)[C@H]1CCOC1	1978748730	AXDKBIYYSFHOMA-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
CC(C)C[C@H](C)Oc1ncncc1B(O)O	1981421655	CQWWBARDIVRZDV-QMMMGPOBSA-N	224.069	-0.030	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)[C@@H]1C	1981427076	RZNXETSATWAKIB-DTWKUNHWSA-N	220.081	-0.004	50	10	BBGE	
CO[C@@H]1CCCN(c2nc(B(O)O)cs2)C1	1981472664	SLOZLLKPQYYVNI-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H]2CF)cc1	1986084459	LAFDMAXVKLDPOX-LLVKDONJSA-N	223.056	-0.090	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@@H]2C[C@H]21	1990776885	QQXRXOZMEHKTTK-OPRDCNLKSA-N	225.292	-0.116	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC([C@H](F)CO)CC1	1999598301	BTCSFTUFDLUBQB-WCBMZHEXSA-N	247.314	-0.203	50	10	BBGE	
NNC(=O)CCN1CCO[C@]2(CCCOC2)C1	2002822826	PMPGZDZWJGFCHU-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC3CC2C3)n1	2003505704	GNUUEKSWYPQAAZ-UHFFFAOYSA-N	235.291	-0.382	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CO[C@@H](C)C1	2004935556	OSKPQMFOFJEWQO-WCBMZHEXSA-N	237.064	-0.374	50	10	BBGE	
C[C@@H]1CCOCCN1c1ncccc1B(O)O	2004936395	YSDUMMBXQXBTIV-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)Cc1nn(C)cc1C(=O)NN	2005108898	UBMRRVWHTWXCGT-XVKPBYJWSA-N	237.307	-0.136	50	10	BBGE	
Cc1cnc(OC[C@H](C)N(C)C)c(B(O)O)c1	2007002150	XSTVCOZVZUCTFF-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2CCO[C@@H]2C1	2012772547	LNNXOLOCQDENSC-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
C=C(CN(C)C[C@@H]1OCCOC1(C)C)B(O)O	2021159058	MWJODQOJDZIATO-JTQLQIEISA-N	243.112	-0.320	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1Cc2ccccc21	2021164872	NJKMXPLXTQGYEX-LLVKDONJSA-N	229.044	-0.542	50	10	BBGE	
C[C@@H]1C[C@]1(F)CN(C)c1ccncc1B(O)O	2025753916	RGFWXWJAZBPUBJ-KCJUWKMLSA-N	238.071	-0.054	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]2COC[C@@H](C2)C1	2026031624	TVZZMKBUZCEMNJ-JGPRNRPPSA-N	241.335	-0.029	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ncc(B(O)O)cn1	2052468720	HSVIYEOUTVUETJ-URLYPYJESA-N	247.107	-0.361	50	10	BBGE	
C[C@]12CCCC[C@H]1CN2c1ncncc1B(O)O	2052473524	WJECOKPMYJWLKR-CABZTGNLSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncnc(-n2cc(C3CC3)cn2)c1B(O)O	2052596079	CLBJQLHGLKBVJC-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
CCc1cc(OC)cc(C=O)c1B(O)O	2060167470	PSCBCSRNSGILBB-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
COc1cc(B(O)O)cc(C#N)c1C=O	2060193586	XPCVVQFEZYRFJR-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]2CC[C@@H]2C1	2068701091	CJSKQJNBSBANAC-JGPRNRPPSA-N	247.103	-0.036	50	10	BBGE	
O=C(NCC=CB(O)O)c1cn2c(n1)CCCC2	2076076523	OJGAOGSMVBKWGU-UHFFFAOYSA-N	249.079	-0.483	50	10	BBGE	
COc1ccc(O)c(C(=O)NCC#CB(O)O)c1	2077483908	SOPXQQPZWQMXGC-UHFFFAOYSA-N	249.031	-0.854	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3COC[C@@H]32)n1	2077844621	NLBYSLZCZNCWEW-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
CC1(NC(=O)c2ccccc2B(O)O)CC(O)C1	2079009901	LQKVERQLBZZPTJ-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC12CN(C)C2	2212307389	BRIMUHTWCZUCAP-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CO[C@@H]1CC[C@@H]1COc1cncc(B(O)O)c1	2215110473	SIYXRVAYXPMSTJ-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
CC[C@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2217172726	LYHZXLWYFRWOLJ-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(N(C)C2(CO)CC2)cc1B(O)O	2217179187	HPINESSWRAGAPT-UHFFFAOYSA-N	236.080	-0.969	50	10	BBGE	
C[C@@H](CCCN)COc1cc(B(O)O)ccn1	2217189875	JUVXMQLGYGGKRX-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@H](O)C(C)(C)CNc1ccc(B(O)O)cn1	2217197889	SNZRRRICGSDTFC-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ccon1	2217199283	BNEXBVSXWUTART-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2221561514	LRTNMXFMGCSBSL-SYWHDRQISA-N	249.314	-0.131	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1Cc2cncnc2C1	2221571223	DVHGENNLBGTVPR-PSASIEDQSA-N	247.302	-0.192	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@@H]1C1CC1	2223620496	OEVRGLYUHMRDIU-GHMZBOCLSA-N	248.091	-0.719	50	10	BBGE	
CC1(C)CC[C@@H](CNc2ncccc2B(O)O)N1	2223628614	RFGPNQHISMPCSK-VIFPVBQESA-N	249.123	-0.296	50	10	BBGE	
NCC1CCC(Nc2ncccc2B(O)O)CC1	2223672490	UAEZHRKHLDYUSK-UHFFFAOYSA-N	249.123	-0.309	50	10	BBGE	
CON(C)C(=O)c1ccc(B(O)O)s1	2241468637	RMOIQDHXTFPWPB-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
CC(C)(C)ONC(=O)[C@H]1C[C@@H]1B(O)O	2241480465	KWRFDRUUQXJFEG-WDSKDSINSA-N	201.031	-0.304	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]1Cl	2241907642	GNEMVCIQRLAUQM-NKWVEPMBSA-N	215.445	-0.865	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(O)C[C@H]2C1	2242833832	OPRJKEDDBQBLFF-LOKLDPHHSA-N	225.292	-0.931	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)C1)C1(B(O)O)CCC1	2243346906	FOZKHUZLUDLGBP-OCAPTIKFSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2243356905	OLMAQUPUUFPMPF-MUWHJKNJSA-N	222.053	-0.825	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)o1	2243361678	FLQUJPSHWNZCSY-NKWVEPMBSA-N	223.037	-0.512	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@@H]2B(O)O)cnn1C	2243381246	DPVTVFDVOZEDMS-BQBZGAKWSA-N	223.041	-0.470	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cscc1B(O)O	2243398747	TWNMIXCSVJIHKB-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
NCc1cccc(NC(=O)C#CB(O)O)c1	2243399886	RYPYLWNEBNYZBR-UHFFFAOYSA-N	218.021	-0.901	50	10	BBGE	
CC1(C)CCC=C[C@H]1NC(=O)C#CB(O)O	2243400905	JLKWKBXYIRJYEV-SECBINFHSA-N	221.065	-0.137	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1C[C@@H]1B(O)O	2243404993	XWTSNYXPCZCCRH-KZVJFYERSA-N	227.069	-0.921	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CC2)[C@H]1O	2243409338	GESJYGCSEGKTIR-NKWVEPMBSA-N	227.069	-0.731	50	10	BBGE	
O=C(NC[C@@H]1CCCO1)[C@H]1C[C@@H](B(O)O)C1	2243427257	SJIRJXYWNOOACF-YIZRAAEISA-N	227.069	-0.465	50	10	BBGE	
O=C1NC[C@H](CN2CCC(B(O)O)CC2)O1	2244176955	KWCYQMICUGUUGI-MRVPVSSYSA-N	228.057	-0.966	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2Cl)C[C@@H]1O	2246058019	SCROOVHIENIUKJ-NGJRWZKOSA-N	247.678	-0.092	50	10	BBGE	
CCC(=O)NCc1ccc(C)c(B(O)O)c1	2246251480	ZXUBYDSZYVYHKT-UHFFFAOYSA-N	221.065	-0.299	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)C2(C)CC2)n1	2247152158	IQDWFZSPJNPVJB-UHFFFAOYSA-N	236.080	-0.241	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@@H]21	2247722177	KXEHYDGYCYAQHW-APPZFPTMSA-N	235.048	-0.498	50	10	BBGE	
CC1(C)C[C@@H](O)C[C@H](NC(=O)C#CB(O)O)C1	2247741338	YBZIOMLMHIUXTP-IUCAKERBSA-N	239.080	-0.942	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1ccoc1B(O)O	2247747069	IMEUGSBVXRTXKK-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247763918	OTYUHFKQIWOJSN-QMMMGPOBSA-N	236.080	-0.813	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2247851588	HBPHLTVOWREZIK-LLVKDONJSA-N	236.080	-0.387	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC2(CCCC2)O1	2247852163	PNSPQUFYNWBTQW-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
O=C(NCC1CCOCC1)C1(B(O)O)CCC1	2247853364	LBXFYDDCUXXMLY-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H](C)CF)n1	2247853612	OTQGLZBZRNIQRN-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCN1	2247854109	XKVLAPWHDZZKKW-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247872430	RRPGDUJKPNVIOK-SECBINFHSA-N	237.064	-0.026	50	10	BBGE	
O=C(NC[C@]12COC[C@@H]1C2)C1(B(O)O)CCC1	2247874199	KGAPARWGOKPRHZ-WCBMZHEXSA-N	239.080	-0.464	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247877111	CBAGNEYELOZHFQ-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2247878516	KZFOBMAYWRTQLX-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
C[C@H](CCCO)CNC(=O)C1(B(O)O)CCC1	2247878583	OJGFWTXTNYWXCW-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1CNC2)C1(B(O)O)CCC1	2247879242	RZBIPDANNVTHRF-DTORHVGOSA-N	238.096	-0.654	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)co1	2247886945	IDUJKLMAGVAARN-IUCAKERBSA-N	238.052	-0.196	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccnn1C	2247896200	YAYVCMGMVAUJMW-PRJMDXOYSA-N	237.068	-0.540	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCO1	2247898342	CPTOULSGHJYNNC-HLTSFMKQSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2[C@H](C1)C2(F)F	2247900089	SVTZTKVJEGAJHB-XAMCCFCMSA-N	245.034	-0.037	50	10	BBGE	
COC1CC(N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902107	CPPTYDQNUXSJAU-BQKDNTBBSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CN1CCOC(C)(C)[C@H]1CO)C(=O)NN	2247990392	SREGDIZOPDJYPU-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248584892	CRPPIQBPBNANIV-BQBZGAKWSA-N	243.068	-0.439	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@@H]1C(=O)O	2248588306	BAHWCTBRPJSDMA-UMULYZNJSA-N	241.052	-0.829	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2249613942	OHSPKHITZTVVNV-XFWSIPNHSA-N	239.319	-0.685	50	10	BBGE	
Cn1ccnc1[C@@H]1CCCN1C(=O)C#CB(O)O	2255469577	QXNVMCPMTNHUMB-VIFPVBQESA-N	247.063	-0.901	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1nc(C)ccc1B(O)O	2255481015	AYECYKPAHXKBJS-SECBINFHSA-N	246.075	-0.836	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cccc(F)c1B(O)O	2255499983	FQSQBOPKQPNPNU-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1ncccc1B(O)O	2255710687	ODNIZMMIMNAHKZ-DTWKUNHWSA-N	248.091	-0.511	50	10	BBGE	
O=C(Nc1ccccn1)c1cncc(B(O)O)c1	2255714065	LORFJYZKXUMGEG-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(Nc1cccnc1)c1ccc(B(O)O)cn1	2255716996	HCXNNGCRKPCMOG-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cc(B(O)O)ccc1O	2256016976	BZMJEGZVGGWZSA-SNVBAGLBSA-N	247.059	-0.646	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H](O)[C@H]2C1	2298166154	XABFNPXDUVVNGN-QUARPLMYSA-N	239.319	-0.685	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)C#CB(O)O	2298367406	DHYRCVSIRQNQHW-LPEHRKFASA-N	237.064	-0.972	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1C[C@H]2C=C[C@@H]1C2	2298374611	CUKCXKSBTXQCHO-IONNQARKSA-N	249.100	-0.172	50	10	BBGE	
CCC[C@@]1(NC(=O)[C@@H]2C[C@H]2B(O)O)CCOC1	2298376920	XEMTZDXUUBJWCK-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
O=Cc1ccc(N2CC[C@@H]2CF)cc1B(O)O	2301453090	PVRMGLHNTXWJHX-SNVBAGLBSA-N	237.039	-0.273	50	10	BBGE	
Cn1ccnc1C(=O)N1CC[C@](C)(B(O)O)C1	2303107144	XGQJPUVDNXZEOT-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1[C@H]2CO)C(=O)NN	2303410922	QVFRAPAPGHXRNN-WDCWCFNPSA-N	241.335	-0.295	50	10	BBGE	
CNC(=O)C[C@@H]1CCCCN1CCC(=O)NN	2303942194	JDVFYUOPRJBUJD-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CC[C@@H](O)C(=O)N1CCc2c(B(O)O)cccc21	2317529562	XZNUVBPMTZHLEF-LLVKDONJSA-N	249.075	-0.974	50	10	BBGE	
NNC(=O)CN(CCO)c1ccccc1	58839677	UPXYBQPUYZKLHS-UHFFFAOYSA-N	209.249	-0.525	50	10	BBGE	
NNC(=O)c1nnc2c(-c3ccco3)ccnn12	75848693	GUIALEQTVFLJOJ-UHFFFAOYSA-N	244.214	-0.012	50	10	BBGE	
CC(C)OC[C@H]1CC[C@H](C(=O)NN)O1	82463762	VWTQVICLGJSNLS-HTQZYQBOSA-N	202.254	-0.051	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)C1	82468695	KEBIMFCAEVTKFV-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
COCCCN(C)[C@H](C)[C@H](C)C(=O)NN	86313512	IRQNOMPMXALIHB-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)c1ccc(CN(CCO)C2CC2)o1	110597040	PAIPMDJAAIMRGJ-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CC(=O)Nc1nnc(S(=O)(=O)N=C=O)s1	157734789	XJEQCVBAUDSYMA-UHFFFAOYSA-N	248.245	-0.479	50	10	BBGE	
C[C@@H]1C[C@@H](N2CC(=O)OC(=O)C2)CCN1C	158876420	DZQVJWWSGGXLPF-BDAKNGLRSA-N	226.276	-0.146	50	10	BBGE	
C[C@@H](CO)SCc1cc(C(=O)NN)no1	162817136	ZVXLESGZCQIMIN-YFKPBYRVSA-N	231.277	-0.108	50	10	BBGE	
CC(C)(C)OC(=O)NCCOCC(=O)NN	222395141	UXSQVLWXEONIBH-UHFFFAOYSA-N	233.268	-0.482	50	10	BBGE	
CC1(O)CN(C(=O)CBr)C1	227259152	AZXFIBARQUZYSB-UHFFFAOYSA-N	208.055	-0.026	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C(=O)NN)C(C)C	234365395	MBCICZDOJIHHKH-SECBINFHSA-N	230.312	-0.931	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@H](C)[C@H](C)C(=O)NN	252599566	KWAHRCZDMASDAY-DTWKUNHWSA-N	244.339	-0.556	50	10	BBGE	
O=C1OC(=O)[C@H]2C[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H]12	255984124	KUPAKADFLMGMHT-ZXXMMSQZSA-N	242.183	-0.502	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@H]2CCC[C@H]21	300021429	UTQNODCNXSOTHE-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@H](C)CC(=O)NN	300216526	RFKFTZXHXJEUOX-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
NNC(=O)C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	300369577	JZBNNKKCHWMXIM-VWDOSNQTSA-N	209.249	-0.863	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](N)C1	306236717	OYDUHZNYGHJEJR-SFYZADRCSA-N	200.286	-0.966	50	10	BBGE	
O=C1NNC[C@H](N2CCCC2)[C@@H]1Br	306259074	JDVQVQSXBVUXRV-BQBZGAKWSA-N	248.124	-0.151	50	10	BBGE	
CC1(C)[C@H](O)CCN1CCCC(=O)NN	308841745	NPNLCJCJTHPHQB-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C=CCNCC(=O)NNC(=O)c1ccco1	381179922	VZNUQGBAQMIFPC-UHFFFAOYSA-N	223.232	-0.184	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	381537376	HGEIZMFGVXNVJX-GXSJLCMTSA-N	226.324	-0.608	50	10	BBGE	
CC1(O)CN(C[C@@H](C(=O)NN)c2ccccc2)C1	384078117	XGVLFMJRBIYWGQ-LLVKDONJSA-N	249.314	-0.173	50	10	BBGE	
CC[C@](O)(COC)/C(C)=N/NC(N)=O	389009953	JFJZQAAYTQTHIR-QMEHYBMDSA-N	203.242	-0.182	50	10	BBGE	
CC(C)(C)[C@H](SCC(N)=O)C(=O)NN	395624344	ZRROTDFPFXCNAB-ZCFIWIBFSA-N	219.310	-0.391	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](CO)C[C@@H](C)C1	398815835	MDORLQPSEKOIEK-YTWAJWBKSA-N	243.351	-0.049	50	10	BBGE	
CCC[S@@](=O)Nc1ccnc(B(O)O)c1	404897664	CPOOHZCIKQYVRW-OAHLLOKOSA-N	228.082	-0.753	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CCCCO1	404936931	ISLSYLOMBUKACW-LLVKDONJSA-N	249.075	-0.126	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)C(C)C	526869558	PHTNGRZLQCUBQX-ZDUSSCGKSA-N	206.267	-0.689	50	10	BBGE	
NNC(=O)N1CCO[C@H](C(F)F)CC1	606279302	VOLFUOGYXAZMAB-YFKPBYRVSA-N	209.196	-0.074	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)CCC(=O)NN	688148429	FENIFRYIHAWBPJ-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@@H](F)C2)O1	689085918	AOYGFCBLPQMOCX-UTLUCORTSA-N	245.298	-0.042	50	10	BBGE	
CC(C)[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	691373727	VAHBUHDPSOFEAV-YUMQZZPRSA-N	229.280	-0.752	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ccncn2)CC1	692083591	BOBLECSELOGITH-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC[C@H]1N(C)C	693629992	LGOYJAAMEKOYSG-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
Cc1cccnc1CC(=O)NNC(N)=O	700865040	CRRAMEUHEGRINC-UHFFFAOYSA-N	208.221	-0.368	50	10	BBGE	
COC[C@@H](O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703452981	XAMPZNFEMPXRCL-CIUDSAMLSA-N	243.259	-0.700	50	10	BBGE	
CC[N+]1=CC([S@@+]([O])(=O)N=C=O)=N[C@@H]1C	725588385	AUVUBNIJTTXHLJ-LURJTMIESA-N	216.242	-0.057	50	10	BBGE	
CC1(O)CC(C(=O)NNC(=O)NCC2CC2)C1	822786491	RFHMWSGXUGGDPC-UHFFFAOYSA-N	241.291	-0.112	50	10	BBGE	
CC(C)(C)n1ccc(C(=O)NNC(=O)CO)n1	848373010	LDMNVJKMEAAWQK-UHFFFAOYSA-N	240.263	-0.609	50	10	BBGE	
NC(=O)C(=O)NN=C1CO[C@@H](C2CC2)C1	853260443	UMFPLFCBKMDJCX-SSDOTTSWSA-N	211.221	-0.857	50	10	BBGE	
CC1(C)COCC1=NNC(=O)[C@H]1CCC(=O)N1	863150597	AHJOERCDYATVHE-SSDOTTSWSA-N	239.275	-0.206	50	10	BBGE	
CCO[C@@H](C(=O)NNC(=O)CN(C)C)C(C)C	863865702	XVRCSRCXSPMSMT-SNVBAGLBSA-N	245.323	-0.244	50	10	BBGE	
CN1C(=O)N[C@@H]2CNC[C@@H](Br)[C@H]21	952958904	NMDUHXFKWHGWHV-HSUXUTPPSA-N	234.097	-0.255	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(C#N)nc1	1119582086	RWXFBLSIWUKHJT-MRVPVSSYSA-N	234.259	-0.089	50	10	BBGE	
Cn1nccc1[C@@H](O)CNC(=O)CCl	1119617143	JPSZRQSPOYVEAX-ZETCQYMHSA-N	217.656	-0.192	50	10	BBGE	
COCC(=O)NNC(=O)[C@H]1CCCCO1	1129266238	VAAIHSLRMQHKGK-SSDOTTSWSA-N	216.237	-0.651	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCc1nc[nH]n1	1136421649	YUKCTFXQXPVUQE-FNORWQNLSA-N	221.220	-0.135	50	10	BBGE	
O=C(NNc1ncc(F)cn1)[C@]1(O)CCOC1	1295147284	PIHZDJFXWRBBQZ-VIFPVBQESA-N	242.210	-0.790	50	10	BBGE	
CN(C)C(=O)NNC(=O)COc1ccsn1	1464543448	OWSOHCWFWGJMOD-UHFFFAOYSA-N	244.276	-0.176	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn[nH]1	1464920400	QTIPRUIOHZJCBP-VGRMVHKJSA-N	249.274	-0.142	50	10	BBGE	
CNC(=O)NNC(=O)CCc1cc(C)[nH]n1	1583197711	LULQJOPLFBORKT-UHFFFAOYSA-N	225.252	-0.389	50	10	BBGE	
O=C(O)CC[C@H](NC(=O)CCCl)C(O)O	1866011333	FPRJKBPIJVPZCM-YFKPBYRVSA-N	239.655	-0.724	50	10	BBGE	
NC[C@@H](CO)NC(=O)C1CC(Cl)C1	1876257095	RMPQLFONOFLQRZ-AHXFUIDQSA-N	206.673	-0.560	50	10	BBGE	
O=C1CC2(CN1)CN(C(=O)CBr)C2	1881917790	BCSMFRQUBVFPLO-UHFFFAOYSA-N	247.092	-0.270	50	10	BBGE	
C[C@H](C#N)C(=O)NN(C)S(C)(=O)=O	1888553724	BKNPZCGQXOOEJO-RXMQYKEDSA-N	205.239	-0.931	50	10	BBGE	
C#CC(=O)NN(C)S(=O)(=O)C1CC1	1888571894	NNDKRZQHXCSPDV-UHFFFAOYSA-N	202.235	-0.925	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1893099753	QPIUQGVLJLTKAV-PRJMDXOYSA-N	219.716	-0.381	50	10	BBGE	
C#CC[C@H](CO)NC(=O)C=CC(=O)Cl	1893409784	ALICNCOXEYDOTQ-SSDOTTSWSA-N	215.636	-0.192	50	10	BBGE	
NC(=O)[C@@H]1CN(CCCCCl)C[C@H]1C(N)=O	1895611591	QRUZXRYLTHIXLT-HTQZYQBOSA-N	247.726	-0.476	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3C[C@@H]32)n1	1899253158	IPFAVAFMZACJID-APPZFPTMSA-N	219.053	-0.937	50	10	BBGE	
COC(=O)N1CCc2scc(B(O)O)c2C1	1900051037	ZCAQBMDYGOECQY-UHFFFAOYSA-N	241.077	-0.448	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@](F)(C(F)F)C1	1900596355	JIGUOHLFNMGDOM-QMMMGPOBSA-N	234.970	-0.793	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1sccc1B(O)O	1902406420	MZZJOUPRUSSEOZ-SSDOTTSWSA-N	237.089	-0.380	50	10	BBGE	
Cc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)o1	1902510497	CHNKSDSZAFZEJA-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
Cn1nccc1CN1CC[C@@](C)(B(O)O)C1	1902515185	CVSMKUZSQTYRNJ-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
O=C(N[C@@H]1CCSC1)N1CC[C@@H](B(O)O)C1	1902548518	NNHOCXMFEZXWKC-HTQZYQBOSA-N	244.125	-0.250	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@H]2Cl)[nH]cc1F	1903009099	DDVFUTSPZDBYFB-CAHLUQPWSA-N	244.462	-0.638	50	10	BBGE	
CS[C@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	1905408589	GSTBNXHWDINKDJ-BDAKNGLRSA-N	245.348	-0.021	50	10	BBGE	
COC[C@@H]1CCCN([C@@H](C)CC(=O)NN)C1=O	1905574129	VYPKDBCTRGDQBO-IUCAKERBSA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCO[C@@H]2C[C@@H]21	1907006362	YTTDZZBSYWITIM-DTWKUNHWSA-N	237.259	-0.144	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@]3(C)C2)n1	1907082190	ZKWQKHBBSPZCNR-GZMMTYOYSA-N	233.080	-0.689	50	10	BBGE	
COC[C@H](OC1(C)CCC1)C(=O)NN	1907670618	FRHMMFIWSSWHEF-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2CC(C)(C)C(=O)NN	1908889359	CZHXQPLKISFDBM-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccncc2B(O)O)CCO1	1911420653	TXNTVBQLJZDHFO-RKDXNWHRSA-N	237.064	-0.292	50	10	BBGE	
NNC(=O)C(=O)N=S1(=O)CCCCC1	1913894085	MQJPNLNBOOGQET-UHFFFAOYSA-N	219.266	-0.845	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC2(CC(=O)C2)C1	1917301705	PXTIHYZHSVDGNV-UHFFFAOYSA-N	239.275	-0.791	50	10	BBGE	
CN(CCCl)S(=O)(=O)C1COC1	1923231195	VMFISIOABPKWFE-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2CC1(CF)C2	1929075977	MVZNYEZRJVLBLG-SXJRXYEXSA-N	201.245	-0.201	50	10	BBGE	
COCCOc1cnc(C)c(B(O)O)c1	1929658135	WNKVZBGQXJKACY-UHFFFAOYSA-N	211.026	-0.905	50	10	BBGE	
Cc1ncsc1C(=O)NNCCO	1929833852	QXTHFKOJOBLDJV-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
NC(=O)[C@@H](NC(=O)CBr)C1CC1	1932384975	NGZHNPAUOJJYEV-LURJTMIESA-N	235.081	-0.239	50	10	BBGE	
COCCN1CCN(C[C@@H](O)CCl)CC1	1933919662	YSYRZIHWKCVAOC-JTQLQIEISA-N	236.743	-0.150	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc(C2CC2)n1	1936079933	HIADXTXGGUYQPQ-YUMQZZPRSA-N	221.264	-0.219	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936089173	AREYNLKQYHUSRZ-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CCn1nnnc1CN[C@H]1CN(C)C[C@H]1Cl	1937191354	SWFBAXWHYMMQSG-SFYZADRCSA-N	244.730	-0.296	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H]2COC[C@H]2Cl)n1	1939174017	WKFBDAIDTYRUEG-PHDIDXHHSA-N	245.670	-0.806	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1939968334	YZVPFYIQYDIAEJ-QEYWKRMJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCn1cc(B(O)O)cn1	1940044755	MLJVDWQAJHPIJH-SCZZXKLOSA-N	224.069	-0.622	50	10	BBGE	
CCCN(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941089528	KLYJLFOZDCWKSQ-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CO[C@H](Cn1ccc(B(O)O)n1)C1CCCC1	1945163378	CRPDVTWNROLYNM-SNVBAGLBSA-N	238.096	-0.232	50	10	BBGE	
COc1ccc(Cn2cc(B(O)O)cn2)cn1	1946548602	XASHILXLSOJTGU-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1occc1C(=O)NN	1947984959	CDYZULPUAXEYIY-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
CC(C)(C)N1CCC[C@](N)(B(O)O)C1	1955278778	QZGPTYZZGXRLTB-SECBINFHSA-N	200.091	-0.410	50	10	BBGE	
CCCCOc1ncc(B(O)O)c(C)n1	1961687815	OSXKTJVIPMLVEK-UHFFFAOYSA-N	210.042	-0.356	50	10	BBGE	
CN(CCC(F)F)c1nc(B(O)O)cs1	1961717412	ACKDTSMCGQPXNP-UHFFFAOYSA-N	236.052	-0.086	50	10	BBGE	
COCCn1nnnc1CNC(=O)[C@@H](C)Cl	1980591905	DPGLRBFTABERRG-ZCFIWIBFSA-N	247.686	-0.437	50	10	BBGE	
OB(O)c1cncnc1OC1CCCCC1	1981422861	VDAXCLVKCDFIDE-UHFFFAOYSA-N	222.053	-0.132	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H]1C	1981423706	ICROLQLPHGWKMX-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
CC=CCn1cnc2c(B(O)O)ncnc21	1982863870	ZACYINYFZOKSCF-UHFFFAOYSA-N	218.025	-0.918	50	10	BBGE	
Cc1cccc([C@H](C)NC(=O)C(=O)NN)n1	1984121911	LQLIWVQUTMENSC-ZETCQYMHSA-N	222.248	-0.443	50	10	BBGE	
COCC1(C)CCN(C(=O)C(=O)NN)CC1	1987435419	VPDTVYPJGVXDHV-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
NC(=O)CC[C@@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1991682237	ICKXIZLWGCCEMF-HSUXUTPPSA-N	248.666	-0.551	50	10	BBGE	
C[C@@H](CC(F)(F)F)C(=O)NCC#CB(O)O	1992166878	AGRHAEDFCQLYOP-LURJTMIESA-N	236.986	-0.294	50	10	BBGE	
C[C@H]1CN(Cc2nn(C)cc2C(=O)NN)[C@H]1C	2003506620	XGTHWVDCIRTOEW-YUMQZZPRSA-N	237.307	-0.136	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@H]3C2)n1	2003510320	TVUBMDIXGXDRDO-OCAPTIKFSA-N	235.291	-0.525	50	10	BBGE	
CN(C[C@H]1[C@@H]2[C@@H]1CCC2(F)F)C(=O)C(=O)NN	2004123404	DKVDEMUGLKETQW-QYNIQEEDSA-N	247.245	-0.274	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](CCF)C1	2004936148	VOJJGPBYSJDCDT-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
CN(c1ncccc1B(O)O)c1ccnn1C	2005140797	MAEJIRIPPCWUGG-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@]12C[C@@H](CO)C2	2011132119	MBUJTVZJIJTWIQ-MWGHHZFTSA-N	239.319	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C(C(F)F)[C@H]2C1	2017291048	BZVWQMPVACJOII-LYFYHCNISA-N	249.261	-0.566	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C(C)C)CC1	2019209939	LOOINGBANKRWID-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCC=CB(O)O)C[C@@H](C)O1	2020061400	HAEQMFXPKICGJI-ILWJIGKKSA-N	241.096	-0.126	50	10	BBGE	
CN(Cc1ccncn1)c1ccc(B(O)O)cn1	2052474257	ZHLUHXYFYOTGBQ-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(B(O)O)c1C=O	2060281006	DAJVOIZOTXGZPE-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
CCN=c1nncc(N2CCC(O)(C#N)CC2)[nH]1	2064576408	VVFBMUREWSFSNQ-UHFFFAOYSA-N	248.290	-0.420	50	10	BBGE	
C[C@H]1C[C@H](OCc2nscc2B(O)O)CO1	2211139457	GCXQJBIECOYYCC-BQBZGAKWSA-N	243.093	-0.483	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCCS1(=O)=O	2211838243	FBUKOLUTOVIBKQ-YUMQZZPRSA-N	247.320	-0.962	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H]1CCC[C@H]1O	2212899256	JSSZCNRGJJEOTO-VHSXEESVSA-N	243.307	-0.611	50	10	BBGE	
CCCC1(O)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215777490	SUCZCHHLAAQFPQ-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cn1cc(COc2ccc(B(O)O)cn2)cn1	2217174291	TZURSEOLPZUIEB-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCO1	2217177612	KXLODJLHVRTODU-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(O[C@H](CN)C2CC2)cc1B(O)O	2217182355	CMNCWOVBNWGRPA-SNVBAGLBSA-N	236.080	-0.814	50	10	BBGE	
C[C@@](CN)(Oc1ccc(B(O)O)cn1)C1CC1	2217189881	JVUJDXSGUQFKPB-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c1	2217196562	SMMLCCNPYSCDKB-QPJWQJBDSA-N	231.060	-0.205	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1(CO)CCC1	2217196889	JAAOUEOWYVXPOH-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CN(Cc1ccno1)c1cc(B(O)O)ccn1	2217198573	CVAFVTARFVFCBT-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
N#CC1=CCN(c2ccc(B(O)O)cn2)CC1	2217199609	DMWNKVDAOKOWCK-UHFFFAOYSA-N	229.048	-0.579	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CC[C@H]2CN3)c1	2220062407	KYYBQFZZYCSMMH-OLZOCXBDSA-N	246.119	-0.697	50	10	BBGE	
C=C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCO1	2220065752	QXRPCGCYLAFSHK-CYBMUJFWSA-N	247.103	-0.247	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CCNC3)C2)c1	2220073648	QYAHDHDLUFRIRV-UHFFFAOYSA-N	246.119	-0.838	50	10	BBGE	
C[C@@]1(CO)CCCN1Cc1cccc(B(O)O)c1	2220074565	ZVZYMGXKVVFQDD-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2C[C@@H]3C[C@@H]3C2)n1	2222656568	CVDSAGIYZMXOAZ-ILWJIGKKSA-N	248.091	-0.049	50	10	BBGE	
C#CC[C@](C)(CN)COc1ncccc1B(O)O	2223621750	XEAOOQZOLOQBSZ-GFCCVEGCSA-N	248.091	-0.872	50	10	BBGE	
Nc1ccccc1CNc1ncccc1B(O)O	2223674779	NHIYITLTIWJREU-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CC2(CCC2)C1	2224027353	VNNBIUNZTNAAOQ-UHFFFAOYSA-N	248.091	-0.497	50	10	BBGE	
O=c1ncc(B(O)O)cn1C1CC(C2CCC2)C1	2224029213	HNGHISVFWMATPH-UHFFFAOYSA-N	248.091	-0.326	50	10	BBGE	
C=CCNS(=O)(=O)N1CC(Cl)C1	2241353794	MOTBOHMCGLWIFI-UHFFFAOYSA-N	210.686	-0.070	50	10	BBGE	
Cc1nscc1CC(=O)NNC(N)=S	2241359888	LUQGXUSJIXVRJE-UHFFFAOYSA-N	230.318	-0.142	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)oc1C	2243346971	GCYALROCTCSEOD-UHFFFAOYSA-N	227.025	-0.661	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)OC(C)(C)C	2243357619	ZEOOAYHJLARWMP-QMMMGPOBSA-N	227.069	-0.678	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2243396518	NIIKAXMBYDAGKB-KYZUINATSA-N	221.065	-0.136	50	10	BBGE	
C[C@H]1CNC[C@H](C)N1C(=O)C1(B(O)O)CC1	2243408359	LSBXAMLNBPOQFI-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
O=C(N(CCO)CC1CC1)C1(B(O)O)CC1	2243409204	CVBGQURIBCQWEL-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243426265	GDTWPZVDNKKGPS-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
COC[C@]1(C)C[C@H]1CN(C)C(=O)C(=O)NN	2243810883	NTXFCUOZBISVOQ-XVKPBYJWSA-N	229.280	-0.893	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)[C@H]2O)C(=O)NN	2244300992	IVGWSRUWUCARLV-AYMMMOKOSA-N	227.308	-0.685	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC[C@H]2C1	2247741023	STPWQELMKVOPAK-OCAPTIKFSA-N	234.064	-0.824	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@H](B(O)O)C1	2247793312	WYPBXNHLQKZXQK-VVULQXIFSA-N	239.080	-0.325	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCOC1	2247797988	PFTVMWUZZVZMRG-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]2C1	2247799644	GHTNPODTDLUTGJ-KBDSZGMXSA-N	239.080	-0.921	50	10	BBGE	
CCN1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247804022	DTAOISUPPQUXAI-UWVGGRQHSA-N	240.112	-0.550	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]1C(F)F	2247853119	GNVWXWMBHFUPIN-ZCFIWIBFSA-N	244.990	-0.561	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NN2CCC2)c1	2247873364	ATYNDWPCJHAAAF-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
C[C@@H]1CNC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247873450	JQGRFDDTLITAQP-IUCAKERBSA-N	240.112	-0.645	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247887792	RRSCOKMUWQMSJS-CDLYGTGVSA-N	238.096	-0.811	50	10	BBGE	
CN(C[C@@H]1CCCCN1)C(=O)[C@@H]1C[C@H]1B(O)O	2247898418	DGMRJKCASYMALG-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCc1ccncc1F)[C@@H]1C[C@H]1B(O)O	2247899414	NFFSBJCLHWOBCC-HTQZYQBOSA-N	238.027	-0.300	50	10	BBGE	
CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247900498	XJUKWPUPGPZNRJ-ZJUUUORDSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H]1CCNC[C@H]1NC(=O)C1CC(B(O)O)C1	2247901778	AGFLVXZLBVVYSD-SEZDTBSWSA-N	240.112	-0.646	50	10	BBGE	
O=C(O)[C@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2248574065	NRPANUBJIUDNMU-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
CC1(C)[C@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C(=O)O	2248578773	SGIPLUHJTHRQMT-PHDIDXHHSA-N	241.052	-0.781	50	10	BBGE	
COc1ccc(O)c(NC(=O)C#CB(O)O)c1	2248585217	ICCUGFWAAMWXFQ-UHFFFAOYSA-N	235.004	-0.645	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCN1	2249888667	SBKGZNGQDLYCQB-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCC(F)(F)C1	2250002635	NMQIELAODCQHGI-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
CON(CC1CC1)c1nc(C)ccc1B(O)O	2251018716	RCHVIPSFGLLVPF-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
C=CCCCN(C)C(=O)c1ccncc1B(O)O	2255452721	LOWSYBVQXIQBRJ-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(B(O)O)o1	2255466067	SOIOOAXAPUOJJF-XHNCKOQMSA-N	247.059	-0.346	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1ccoc1B(O)O	2255466612	BHQNSMIKSYFSSX-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
CCn1ccnc1NC(=O)c1occc1B(O)O	2255481543	IVTLJMIDWCWTPU-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1nc(C)ccc1B(O)O	2255486647	DILUNFZLAKQVLB-MRVPVSSYSA-N	248.091	-0.236	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2occc2B(O)O)n1	2255493375	YBWRKWFAKYEGFY-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NOCC2CC2)c1	2255514029	BXIGBAAREXCZFL-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cc1F	2255718496	AFQNXIZKBWNTQA-VROVMSAKSA-N	249.050	-0.356	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ccncc2B(O)O)C1	2255728904	NHRRZJTYSHBTEU-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
CN=c1ccc(NC(=O)[C@H]2C[C@H](B(O)O)C2)c[nH]1	2255774137	PLTOITZLYUCGBL-ZKCHVHJHSA-N	249.079	-0.263	50	10	BBGE	
Cc1ncnc(C)c1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2255775084	UULVNGWQRWTRRN-SCZZXKLOSA-N	249.079	-0.427	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1nccnc1B(O)O	2256050524	CBVJOUZEOOSOAD-NSHDSACASA-N	249.079	-0.925	50	10	BBGE	
CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376793	OPDMJKGLCMPJTG-AEJSXWLSSA-N	240.112	-0.693	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	2302059440	KGFCAPLZXNHOHR-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN[C@H]2CCC[C@H]21	2302885256	OEHFROQZOXGDMW-DOLQZWNJSA-N	238.096	-0.798	50	10	BBGE	
C[C@H](C(=O)N1CCCC1)N1CC[C@@H](B(O)O)C1	2303100193	XANWDKYZHACNIC-NXEZZACHSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H](O)C1(Nc2cc(B(O)O)c(F)cn2)CC1	2303847401	IRUJGVVFLWQURB-ZCFIWIBFSA-N	240.043	-0.774	50	10	BBGE	
Cc1cnc(NC[C@H]2NC[C@@H]3C[C@H]23)cc1B(O)O	2312612395	VACDFBZCMCZHDJ-ATZCPNFKSA-N	247.107	-0.910	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1B(O)O	2312612456	YQOSOJBOCHOABI-JMJZKYOTSA-N	248.091	-0.198	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCCCCN	2317150728	IOXXKBTVASLVJA-UHFFFAOYSA-N	248.091	-0.254	50	10	BBGE	
CC(C)N(C(=O)COCC(=O)NN)C(C)C	58840565	ZQPMIIWSYDQGGX-UHFFFAOYSA-N	231.296	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@H](C)C1	82485322	IZUOJOKQNXSAHQ-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](CCC(=O)NN)SC[C@@H](O)CO	86661903	RSHXMIUTLMSTBV-BQBZGAKWSA-N	222.310	-0.769	50	10	BBGE	
NC(=O)OCCNC(=O)NC(=O)CCl	135268517	NIEIMJGHXGTBDZ-UHFFFAOYSA-N	223.616	-0.854	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467788	PGZFGPNEHDLQSN-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CN(C)CCN/C=C(/C#N)C(=O)NCCCl	217236547	MRWHPPDBILZTIC-HJWRWDBZSA-N	244.726	-0.100	50	10	BBGE	
CCOC(=O)c1ccc(C)c(B(O)O)c1	238262438	HGMFAXYIMKAHIW-UHFFFAOYSA-N	208.022	-0.148	50	10	BBGE	
CNC[C@@H]1CCCN([C@H](C)[C@H](C)C(=O)NN)C1	252595093	HBRXGHSJZNWFPG-AXFHLTTASA-N	242.367	-0.068	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C(C)C)C1	299999844	XKSQKLGDYLZFJR-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
CNC(=O)CS[C@@H](C)CCC(=O)NN	300825432	NQKOZXMCLQQDSX-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)C[C@@H]1C	302301036	FDRBOOQIAAJUKS-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21	308874813	CRRNZNDSYKNGBX-HTQZYQBOSA-N	211.265	-0.233	50	10	BBGE	
O=C(CBr)NCCn1cnnc1	381803703	QMOTWESMFGGVAQ-UHFFFAOYSA-N	233.069	-0.211	50	10	BBGE	
C[C@@H](N)CSCc1nc(C(=O)NN)co1	387078523	ZDHRHQBNAZUZPJ-RXMQYKEDSA-N	230.293	-0.142	50	10	BBGE	
CCC(=O)c1cc(C(=O)O)ccc1B(O)O	396133015	NNLQKUXJLPUQBY-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
O=C(O)c1c(B(O)O)ccc2sc(O)cc12	396389944	WMNBPXWDJUUJDS-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)(CCN1CCOC[C@H](O)C1)C(=O)NN	399929170	RSFDPSTYGLPQNQ-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CO[C@H](C)C1	401506480	GUYWAHIDGINLHR-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CCc1cnn([C@H](COC)C(=O)NN)c1	402055690	VGODBNBPSBABRH-MRVPVSSYSA-N	212.253	-0.377	50	10	BBGE	
CC(C)OC(=O)[C@H](C)[S@@](=O)CC(=O)NN	586370503	NUIVXCPGAVEWBU-XHLQUELWSA-N	236.293	-0.935	50	10	BBGE	
O=C1C[C@@H]([C@H]2CCS(=O)(=O)C2)C(=O)O1	685961790	WJNLDMFLCWSTQO-WDSKDSINSA-N	218.230	-0.489	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1	692107820	QIOZRTNKVLIZAY-MRVPVSSYSA-N	237.259	-0.858	50	10	BBGE	
COc1ncccc1Cn1cc(B(O)O)cn1	694537077	VBAOBBMCQPQQEF-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@H](CN1CC[C@@H](CCN(C)C)C1)C(=O)NN	701448174	VQWYMMOVJADTSS-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
CN(C)NC(=O)C1(C(=O)O)CCOCC1	701865757	YFLIQVVDDGCKOV-UHFFFAOYSA-N	216.237	-0.539	50	10	BBGE	
CO[C@](C)(CCl)CNCc1nnn(C)n1	702531423	IIAPDWDDNCXNNK-MRVPVSSYSA-N	233.703	-0.056	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)[C@H]1CCCCO1	711982890	KDSNTHCYHJDCGA-HTQZYQBOSA-N	229.280	-0.702	50	10	BBGE	
C[C@H]1CC(=O)N(CC(=O)NN)C[C@H](C)C1	723783103	POPSGOXARKZKQX-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
O=C(NCB(O)O)[C]1SC=C[C@H]1F	725598434	AMWULVFROGOLKY-SCSAIBSYSA-N	204.011	-0.755	50	10	BBGE	
C=CCOCC(=O)NNC(=O)[C@H]1CCCO1	817214381	NPRJUSMBBTVTDZ-MRVPVSSYSA-N	228.248	-0.485	50	10	BBGE	
C[C@H]1CC(=O)N(CC(=O)NN)C[C@H](C)O1	829144878	WMANNLHLBFQVMW-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)c1cn(C)nn1	855184488	FXADZXFEWMFJCL-YFKPBYRVSA-N	243.292	-0.672	50	10	BBGE	
CCC(C)(C)[C@H](O)C(=O)N1CC[C@H](B(O)O)C1	902551641	GSUQRDNQSDBAKM-DTWKUNHWSA-N	243.112	-0.141	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNc1ncccn1	1290675274	SABQGXSOPXJAIJ-UHFFFAOYSA-N	234.223	-0.934	50	10	BBGE	
COC(=O)N(C)NC(=O)c1nnn(C)c1C	1322625910	DWXFIKQEONZOPU-UHFFFAOYSA-N	227.224	-0.533	50	10	BBGE	
COCCN(C)NC(=O)CC1COC1	1354014592	HATSZYYXADWSQA-UHFFFAOYSA-N	202.254	-0.368	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)Cc1ccccn1	1443728895	NJKBEGKHUHITHO-VIFPVBQESA-N	235.243	-0.682	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)C1CCC1	1543355525	PNMKALDDIROJCR-UHFFFAOYSA-N	213.237	-0.801	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N(C)CC(N)=O	1595781744	FCNOGSQHNRFLBO-SREVYHEPSA-N	211.221	-0.626	50	10	BBGE	
C[C@H](C(=O)CBr)N1CC(N)C1	1880354898	XNAWMFUADSFNEF-RXMQYKEDSA-N	221.098	-0.018	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2COC[C@@H]21	1882698041	NGANWPVEJNIVQE-BQBZGAKWSA-N	225.697	-0.114	50	10	BBGE	
O=C1CNCC(=O)N1C[C@H]1C[C@@H]1Cl	1883551898	KYZXGFUDOPHRPO-RITPCOANSA-N	202.641	-0.428	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(O)(CN(C)C)C1	1892488380	FUWJFCYKLMSPTB-ZETCQYMHSA-N	220.700	-0.251	50	10	BBGE	
N[C@@H](CS(=O)(=O)C[C@H]1C[C@H]1Cl)C(=O)O	1893120775	YKHXZPVOBYEBHX-PBXRRBTRSA-N	241.696	-0.560	50	10	BBGE	
CS[C@H]1CC[C@H]1N(C)CC(=O)NN	1893808994	XAPPOBVDLWARCD-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]1C	1896022294	IUFZAGSFTKOEEM-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@@H]3C[C@@H]32)nc1	1898118170	LYYULEHFMRFNLG-BWVDBABLSA-N	220.037	-0.666	50	10	BBGE	
C[C@H](CCl)CN1C[C@H](O)[C@H](O)[C@@H]1CO	1900167448	XBZMYRPPAOSLMX-RYPBNFRJSA-N	223.700	-0.740	50	10	BBGE	
CC(C)NC(=O)CCN1CC[C@H](B(O)O)C1	1902506875	YICGXBUWWYZPAX-VIFPVBQESA-N	228.101	-0.550	50	10	BBGE	
C[C@H](C#N)OCCN1CC[C@](C)(B(O)O)C1	1902513025	OXLLGFLWCZXDER-ZJUUUORDSA-N	226.085	-0.146	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@H]1CF	1909484800	KACMAYCIPHWGMV-OIBJUYFYSA-N	237.039	-0.090	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCCC2)C[C@@H]1CO	1912755078	YRMYCNXSCYTFMF-MRVPVSSYSA-N	241.291	-0.870	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1CC(O)C1	1914572777	FWZDFMOTEITSCR-AFPNSQJFSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(F)(F)C1	1917244007	ZBMJGONPFLZKSY-PHDIDXHHSA-N	205.208	-0.437	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)C(F)(F)F	1923411259	VZYSKBXMAMFEKK-UHFFFAOYSA-N	228.126	-0.741	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C(F)(F)F	1923427702	UAWZTWIPURTEJM-BYPYZUCNSA-N	200.160	-0.108	50	10	BBGE	
CCON(C)Cc1cccc(B(O)O)c1	1928681694	GFJUEQGMGPFHQX-UHFFFAOYSA-N	209.054	-0.250	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)C[C@H]1F	1928692132	KRWDFEPCZKHMDK-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COC[C@H]1CO	1928735176	IEQMHACCCXHNQK-PHDIDXHHSA-N	229.685	-0.891	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCCO1	1936093077	ANICNYJTMJHOBA-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC[C@]1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1937984061	LSBXKITXOFRDNE-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@]12CCOC2	1940886247	CERMPLAZUYOEQJ-SECBINFHSA-N	249.261	-0.134	50	10	BBGE	
CN1CC(N(C)Cc2ccoc2C(=O)NN)C1	1941724578	DASQKIRVGQJKRG-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(OC(=O)N(C)C)C1	1942658994	IDFMCRREDQZVTN-SSDOTTSWSA-N	244.295	-0.863	50	10	BBGE	
COCC[C@@H]1CN([C@@H](C)CC(=O)NN)CCO1	1943667234	BUAIGHWLCVTUJL-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1946082863	CYRDQFOWWNPKEZ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
ClC[C@@H]1C[C@H]1NCCn1cnnn1	1954304226	BTRXKOVOTPBNGZ-NKWVEPMBSA-N	201.661	-0.110	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@H](C)S(N)(=O)=O	1955559344	PRMQLAZUIKZCRT-WDSKDSINSA-N	242.728	-0.203	50	10	BBGE	
CNC(=O)OCCNS(=O)(=O)CCCl	1955609034	PGGGLDAWTNNKHA-UHFFFAOYSA-N	244.700	-0.499	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNC(N)=O)C1	1957319399	VBOYLGVECCSTKL-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1957559030	GRPYNJUUXKSTJR-YQWDKWCMSA-N	233.695	-0.140	50	10	BBGE	
C[C@@H](CO)S(=O)(=O)N1CC=C(C#N)CC1	1957910328	HPTMXEACDZKXIL-QMMMGPOBSA-N	230.289	-0.147	50	10	BBGE	
CC1(C)CC(=O)N1C[C@@H]1C[C@@H]1C(=O)NN	1958183091	HKVCEDACCUKRPD-BQBZGAKWSA-N	211.265	-0.377	50	10	BBGE	
OB(O)c1cccnc1-n1cc(Cl)cn1	1961709716	AZEZBHSOEZCNMT-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
OB(O)c1csc(N2CCC[C@@H](F)C2)n1	1961718554	QBJJCJWRJPXVHK-ZCFIWIBFSA-N	230.073	-0.239	50	10	BBGE	
C[C@H](COC[C@H]1C[C@@H]1C(=O)NN)N(C)C	1974643773	AGBWJVGWOGDFIP-HLTSFMKQSA-N	215.297	-0.421	50	10	BBGE	
CC(C)N1CC[C@@H](N(C)[C@H](C)C(=O)NN)C1	1976575912	LDMYWKRYDXMVCX-NXEZZACHSA-N	228.340	-0.221	50	10	BBGE	
CC[C@H](O)CN(CCCC(=O)NN)C1CC1	1978305463	NKMSVNNKNDVYMM-JTQLQIEISA-N	229.324	-0.008	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN(CCC(=O)NN)C1	1978976733	GMAWKTNLKAPVSK-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1COCCC1(F)F	1980167181	OCDQNDPOVWOICH-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)CCS1	1981413339	FPKGNKSVMPZMBC-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1c1nc(B(O)O)cs1	1981468741	HUOGGMOWRKWYHJ-KNVOCYPGSA-N	242.109	-0.564	50	10	BBGE	
C#CC#CCN=c1[nH]c(CCCl)nc(=N)[nH]1	1981962285	NJLPLZKDCDGASN-UHFFFAOYSA-N	235.678	-0.464	50	10	BBGE	
O=C(CCl)NC(=O)NCC[C@H]1CCNC1=O	1991287461	UIILXRAQIRECMB-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
CO[C@H]1C[C@H](CO)N(C(=O)C=CC(=O)Cl)C1	1991649336	AGRUDHLXJXWBSI-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CCNC(=O)C1	1991706467	PWFNKKDAVBHXJL-HIXXPVPXSA-N	244.678	-0.050	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](CO)C[C@H]1CO	1991706592	RDWRLUCPCHYHRK-HIQWKFPQSA-N	247.678	-0.490	50	10	BBGE	
NNC(=O)C12COC(CSC3COC3)(C1)C2	1993882308	UYMRBJZFBLTKFY-UHFFFAOYSA-N	244.316	-0.343	50	10	BBGE	
CCCN(CC)C1CN([C@H](C)C(=O)NN)C1	1994902183	FIUPQTIQHUVROR-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CC(C)(CN1CCC(F)(CO)CC1)C(=O)NN	1995937259	IJBLYQMKSJRIPU-UHFFFAOYSA-N	247.314	-0.201	50	10	BBGE	
CC(C)NC(=O)C1CN(CCCC(=O)NN)C1	2002651526	BAWOSPBGJHVICF-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@H](C)C#N)C1CC1	2003766413	YMACZNBDIGMFLY-PSASIEDQSA-N	240.307	-0.385	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	2004602085	FLKVOUOTAGVSRL-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccnc(N2CC3(F)CC2C3)c1B(O)O	2004916019	GRTUGHFPCSUECR-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]2C2CC2)nc1	2004919173	VOGVYZTUROUZLD-JTQLQIEISA-N	233.080	-0.465	50	10	BBGE	
Cc1cnc(OC2CCOCC2)c(B(O)O)c1	2004934626	HWDYLCBAKPQOJU-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC[C@H](F)C1	2008840290	KIIMXGDYQRANJC-WPRPVWTQSA-N	239.055	-0.334	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	2015791153	RRTZGTVLGHZKJO-ZNSHCXBVSA-N	241.335	-0.173	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	2018479789	RHQDZMOGJNJHJF-ATZCPNFKSA-N	243.307	-0.898	50	10	BBGE	
CCOC1(C(=O)N[C@@H]2CCC=C2B(O)O)CC1	2020068359	QNLREHUDWIUAQS-SECBINFHSA-N	239.080	-0.228	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cnc2c(N)ncnc21	2026859280	SQJWLMMJQPGICA-SSDOTTSWSA-N	249.278	-0.405	50	10	BBGE	
CN(Cc1cccnc1)c1ncc(B(O)O)cn1	2052469168	NBQOKAARLDVPCH-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
Cc1ccnc(N2CC(C)(N(C)C)C2)c1B(O)O	2052472252	QBVKJSJJDLXRKN-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
CCOc1ccc(B(O)O)c([N+](=O)[O-])c1C=O	2060137025	MQKXRAHHTAYBTH-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CO[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079010815	UNRRKBIFJZXETB-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
CCN(C)S(=O)(=O)N[C@@H]1COC[C@@H]1Cl	2209849201	LDJLUDPOBWXBKH-NKWVEPMBSA-N	242.728	-0.221	50	10	BBGE	
NCCCSc1ncccc1B(O)O	2210063426	AKDWDLUQKZIIDZ-UHFFFAOYSA-N	212.083	-0.798	50	10	BBGE	
N#C[C@H]1CCN(CC2(C(=O)NN)CCC2)C1	2212267618	WTBNBQOWIOFAPZ-SECBINFHSA-N	222.292	-0.008	50	10	BBGE	
CNC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2212599765	NIFHZUKBAUZXQF-MRVPVSSYSA-N	224.069	-0.943	50	10	BBGE	
C[C@@]1(O)CCN(Cc2cccc(B(O)O)c2)C1	2214592243	CXDKOJSJMCCLBD-GFCCVEGCSA-N	235.092	-0.677	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CC[C@H]1N	2214593759	XJEJHZGOAMEXMM-VXGBXAGGSA-N	234.108	-0.712	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C[C@H]1C[C@H]1C(=O)NN	2214798279	HSTFTTIFQDAAAZ-QGKZMRNZSA-N	241.335	-0.296	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	2214995541	UEWVTJGAAIBRMN-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
C[C@@H]1CC[C@H]1CN(C)c1ncncc1B(O)O	2215003529	GXNPGSGKFWZZHY-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CCN[C@@H]1COc1cc(B(O)O)ccn1	2217185689	AGWMPNXEFJQSAI-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c1	2217196561	SMMLCCNPYSCDKB-OMHSBUABSA-N	231.060	-0.205	50	10	BBGE	
N[C@H]1C[C@@](F)(CNc2cc(B(O)O)ccn2)C1	2217200668	VEQDEEUTCQMCHE-CZMCAQCFSA-N	239.059	-0.997	50	10	BBGE	
CN1CC[C@](C)(Nc2ncccc2B(O)O)C1	2217203785	ADSIEJKJNNUEQU-NSHDSACASA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](O)CC2(CC2)C1	2223677584	PWHVTDLYRLVKBM-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
C=CCN(CCO)C(=O)C1(B(O)O)CCC1	2243347287	KRLMAQKQUFNMRA-UHFFFAOYSA-N	227.069	-0.610	50	10	BBGE	
C[C@@H](O)CCCNC(=O)C1(B(O)O)CCC1	2243347502	MSAWIFOLMHCKLM-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(F)F)C(=O)C#CB(O)O	2243356241	DOAAMBVEQNWXAB-RNFRBKRXSA-N	231.007	-0.639	50	10	BBGE	
CC(=O)NC(=O)c1cc(B(O)O)ccc1Cl	2243367780	YJOZYGJFNRBTGO-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)C1CC(B(O)O)C1	2243382933	SHWNRMOJDCIPPC-MZUZGICHSA-N	229.085	-0.221	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cc(B(O)O)cs1	2243385236	FMERCCRJPKUBDJ-ZCFIWIBFSA-N	241.077	-0.336	50	10	BBGE	
C=C[C@H](N)COc1cc(B(O)O)c(Cl)cn1	2245912851	IHVUNNLFVVVQHV-LURJTMIESA-N	242.471	-0.693	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1ccc(B(O)O)o1	2247737710	IUOWFXCBWQUESV-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1N2)C1(B(O)O)CC1	2247751515	YOOMNPMASCBDPF-HLTSFMKQSA-N	238.096	-0.607	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787837	VPIIOVLQUVSOQL-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2CNC[C@@H]21	2247787916	WKEWXUZEHPIKIY-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247798729	WRXAVBQFTVPNJK-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247803671	CHMMVPGBZOIIII-XFWSIPNHSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805013	AEXAIPKBFKDYCF-XKNYDFJKSA-N	243.112	-0.237	50	10	BBGE	
C[C@@]12CC[C@@](NC(=O)[C@H]3C[C@H]3B(O)O)(CO1)C2	2247805327	BHUMXSZOKVTRHP-OEIWMXHLSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@]12CC[C@@H]1CNC2)[C@H]1C[C@H](B(O)O)C1	2247809683	QMCLWQTXRBAPKN-CDLYGTGVSA-N	238.096	-0.892	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H](F)C1)C(=O)C#CB(O)O	2247841051	DOLHXYAMJFBUHQ-NXEZZACHSA-N	241.071	-0.012	50	10	BBGE	
C[C@H](Cc1ccccc1)NC(=O)C#CB(O)O	2247846197	BPKVRMOSKYEQDV-SNVBAGLBSA-N	231.060	-0.251	50	10	BBGE	
C[C@H]1CCOCC[C@H]1N(C)C(=O)C#CB(O)O	2247848641	OLEKLBWRCVVDLD-VHSXEESVSA-N	239.080	-0.725	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)C#CB(O)O)[C@@H](C)O1	2247848644	OMABYJUZPUQEIV-BBBLOLIVSA-N	239.080	-0.726	50	10	BBGE	
CCCN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247852739	YVNHGNXWMBYVIY-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CCCC1	2247871327	ZOVHBRQMUCNKKO-UHFFFAOYSA-N	237.039	-0.259	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)C1(B(O)O)CC1	2247872388	RBVHZBWGLVMLPT-AYMMMOKOSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H](F)CNC(=O)c1c(F)cccc1B(O)O	2247875414	YAMVGMBJZWZFGR-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(N(C1CC1)C1COC1)C1(B(O)O)CCC1	2247877606	CBCFHAQZRZNXQO-UHFFFAOYSA-N	239.080	-0.227	50	10	BBGE	
O=C(O)[C@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248587857	VJONESGMJSJLBH-BWZBUEFSSA-N	241.052	-0.685	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2249415540	FXDRNJMKYSMZPG-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
C[C@H]1OCC[C@H]1CC(=O)NCCC#CB(O)O	2250005697	AZZNEJCGBXQRAT-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](Cn3ccnn3)(C1)OC2	2251810694	JYVNCAAKVBPIRL-UWVGGRQHSA-N	237.263	-0.793	50	10	BBGE	
Cc1cncc(COCCOCC(=O)NN)c1	2253369440	HQYFWGNNGJJYOT-UHFFFAOYSA-N	239.275	-0.087	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	2255463225	GLPCWWUVGCMAJV-BRPSZJMVSA-N	249.075	-0.170	50	10	BBGE	
Cc1c(F)cc(C#N)cc1NC(=O)C#CB(O)O	2255469972	WZLMERZHTAEUET-UHFFFAOYSA-N	246.006	-0.040	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1occc1B(O)O	2255479594	SLSKQHGDJSGAMU-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(B(O)O)cc1F	2255497665	FOSWHXWXYCYZSG-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1C2)c1ncccc1B(O)O	2255518784	OSHFCPCBZVKEBC-UFBFGSQYSA-N	246.075	-0.566	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC2CC1(C)C2	2255735600	WOUBPMZLJNUEKQ-UHFFFAOYSA-N	248.091	-0.671	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cc(C)c(B(O)O)o1	2255783931	GTLNLHSRQSFWBY-UHFFFAOYSA-N	247.059	-0.471	50	10	BBGE	
CCCN(C(=O)c1nccnc1B(O)O)C1CC1	2256062371	VYIJYBJXJMCSKF-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1ccnc(NC(=O)c2cc(B(O)O)co2)n1	2258136504	YESKPDJVLAJUGO-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC[C@H]1COCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369253	OGCBFYIYDKHGHO-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
NC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370694	HGZAGXFAMMQQSO-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
CCC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377042	BPGWHZZBAIFGRQ-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
COC[C@H](OC[C@@H]1COCC1(C)C)C(=O)NN	2301157726	QPHZJANIWPKMFS-IUCAKERBSA-N	246.307	-0.320	50	10	BBGE	
COCC(=O)Nc1cc(F)c(B(O)O)c(F)c1	2302415707	SVILNAFPZXHCOT-UHFFFAOYSA-N	244.990	-0.771	50	10	BBGE	
CCOc1ccc(CNC(=O)C#CB(O)O)cn1	2316181506	HBZIKPCBOSAOIP-UHFFFAOYSA-N	248.047	-0.888	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@@H]2CO)cc1B(O)O	2317309720	VILCOCDPQCBZKC-NXEZZACHSA-N	249.075	-0.781	50	10	BBGE	
NCC12CC(CCN1c1ncccc1B(O)O)C2	2318075927	NVWAAOWPNHRTJY-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
NC(=O)C(=S)NNC(=O)c1ccccc1	20509147	KQBRBTAJSQFPRC-UHFFFAOYSA-N	223.257	-0.266	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCCNC1=O	50398463	VAMNRBYOBRDOSW-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
Cc1csc([C@H](C)NC(=O)C(=O)NN)n1	70734367	IIXRAEIZOHBPFD-YFKPBYRVSA-N	228.277	-0.381	50	10	BBGE	
CCOC(=O)NC(=S)NNC(N)=O	71773915	RRMRQMPOOMJSAP-UHFFFAOYSA-N	206.227	-0.810	50	10	BBGE	
CC[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	82471421	QBYYIGCDSXWZKW-BYPYZUCNSA-N	214.185	-0.873	50	10	BBGE	
CCNC(=O)CN(C)CC(C)(C)C(=O)NN	86597918	RFGKKCJLZMAMTB-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
NNC(=O)C(=O)NCCCC(F)(F)F	124518932	DJMBHYDTZRFYAQ-UHFFFAOYSA-N	213.159	-0.565	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@](C)(C(=O)O)C1	149105455	RLKIHBWHOMYXAU-SECBINFHSA-N	215.253	-0.031	50	10	BBGE	
O=C(CCBr)N(CCO)CCO	168404782	DAXSFVIEPUOQBT-UHFFFAOYSA-N	240.097	-0.415	50	10	BBGE	
CC(C)NC(=O)Nc1ccc(B(O)O)cc1	196043535	LNYHHUXYUURCAZ-UHFFFAOYSA-N	222.053	-0.104	50	10	BBGE	
CC(C)C[C@H](NC(=S)[C@@H](C)N)B(O)O	210105190	KGIJGDFACIZVGQ-RQJHMYQMSA-N	218.131	-0.323	50	10	BBGE	
C/C=C\COCCn1cc(C(=O)NN)nn1	215127677	UOGHVNAIGYZNPS-IHWYPQMZSA-N	225.252	-0.526	50	10	BBGE	
CCN(C)C(=O)CNC(=O)NC(=O)CCl	221762780	AHYHXHYCFFWSRB-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	223090463	WMBJVTCHNUPDHG-UTLUCORTSA-N	240.307	-0.242	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@@H](C)CCC(=O)NN)C1	229803719	UMAFRFWCBLRKDE-WCBMZHEXSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@H](Sc1cc(C)nn1C)C(=O)NN	232421467	MRCJWAUKUJPQLC-SSDOTTSWSA-N	244.320	-0.174	50	10	BBGE	
CNC(=O)CN(C)c1nnc(CCl)o1	234367643	BPBJIZICIZAMTF-UHFFFAOYSA-N	218.644	-0.009	50	10	BBGE	
NNC(=O)c1nnn2cc(Cl)ccc12	238563950	NYBVFVWSZBHNPK-UHFFFAOYSA-N	211.612	-0.014	50	10	BBGE	
OB(O)c1ccncc1[C@@H]1CCCNC1	238630883	DNVCWOHOWWOIPO-MRVPVSSYSA-N	206.054	-0.772	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1CO	251550653	MZRZEFWVAZGYDX-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H](C)CO	252813901	SEKZOANHLVRSMW-FXQIFTODSA-N	203.286	-0.687	50	10	BBGE	
Nc1ccc2sc(O)cc2c1B(O)O	306720735	HLGYOMLQVPJLSV-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H]1NC(=O)[C@@H]2CNC(=O)[C@@H]2[C@H]1Br	306895553	NBTUSYZSWWLMGP-FSIIMWSLSA-N	247.092	-0.370	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)NNC(N)=S	307661305	GIOSWGNOXHTOBQ-WHFBIAKZSA-N	202.283	-0.168	50	10	BBGE	
O=C(NCCCl)NCc1nnc[nH]1	308186789	JWAYIVSKHOMJSA-UHFFFAOYSA-N	203.633	-0.157	50	10	BBGE	
CO[C@H](C)CN(C)CC(C)(C)C(=O)NN	308849143	GJJPCKIKSQWSPA-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
C=CCc1nnc2n1C[C@H](C(=O)NN)CC2	380053338	KZIHJJPQRMIFSA-SSDOTTSWSA-N	221.264	-0.441	50	10	BBGE	
COC[C@](C)(O)CNS(=O)(=O)CCCl	394618704	WPFYBMULSREKQX-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1C=O	396075026	XTBAJWUWODEYRH-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
Nc1c(B(O)O)ccc2cc(CO)sc12	396240291	CDKKYRNQPKIPGI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc2ccc(B(O)O)c(C=O)c2s1	396256998	NVFICJFAIYDISH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
Cc1ncoc1C(=O)Nc1ccc(B(O)O)cc1	404937586	JIEDAMPSMRDJJH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O[C@H]1C[C@@H]2CN(CCCl)CCN2C1	405219907	MDRDQAGCLOUCPT-BDAKNGLRSA-N	204.701	-0.024	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689157082	CJMNOOJJKKJICU-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
N#CC1(O)CCN(CC[C@H]2CCNC2=O)CC1	692125953	XNUGETBNCVGVGW-SNVBAGLBSA-N	237.303	-0.137	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](CC(C)C)C(=O)NN	695061779	OPRDHGRYZYVDDP-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
COCCN(C)[C@H](CC(C)C)C(=O)NN	695078529	NGZAHNXLPCICMT-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
CS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NN)C1	707279486	UHSJBVIVOKIBGZ-RNFRBKRXSA-N	231.321	-0.281	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C[C@H](C)O)C1CC1	709378190	POIIAZSNCCUXAH-WPRPVWTQSA-N	229.324	-0.154	50	10	BBGE	
CN(CCO)Cc1cc(C(=O)NN)cs1	711161207	QSSLLVQJYFJTSE-UHFFFAOYSA-N	229.305	-0.224	50	10	BBGE	
NNC(=O)C(=O)NCc1ccnc2ccccc12	719552431	GCZVHDFPHYDRGK-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
CNC(=O)NNC(=O)CC1CCN(OC)CC1	823425445	UIOHYMPPBBGODP-UHFFFAOYSA-N	244.295	-0.390	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1nccn1C	853386101	UIUNTYVLOXOUHH-UHFFFAOYSA-N	247.262	-0.297	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)Cc1ccccn1	900580018	SHQFSPLFOUEZQM-XJIUSYNZSA-N	249.270	-0.292	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C1CC1	905063448	CCMYJYRWNIKTKR-BDAKNGLRSA-N	212.249	-0.031	50	10	BBGE	
O=C(NNC(=O)c1ncon1)C1=CCOCC1	1134616225	BPYIKTDCUPSFMI-UHFFFAOYSA-N	238.203	-0.823	50	10	BBGE	
CN(NC(=O)c1nnn(C)n1)c1ccccc1	1183295446	RVMHHSBEPUSLLK-UHFFFAOYSA-N	232.247	-0.009	50	10	BBGE	
COCCC(=O)NNC(=O)c1ccnnc1	1299503009	SYEBZPIITHVNFM-UHFFFAOYSA-N	224.220	-0.726	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1326564068	HYUQXNKJQRZZQK-HRDYMLBCSA-N	240.259	-0.750	50	10	BBGE	
CN(NC(=O)C1=CS(=O)(=O)CCC1)C(N)=O	1566497110	KCYKNUNZVLKEGV-UHFFFAOYSA-N	247.276	-0.879	50	10	BBGE	
NC(=O)[C@H](N)CNC[C@H]1C[C@@H]1Br	1881362844	NQZCYFMYGMVJBZ-NGJCXOISSA-N	236.113	-0.828	50	10	BBGE	
NC(=O)CCNC(=O)[C@H]1C[C@@H]1Br	1881367859	YROONUUQBAWQCQ-WHFBIAKZSA-N	235.081	-0.239	50	10	BBGE	
NCCOCCNC(=O)[C@H]1C[C@H]1Cl	1883638335	FARMGQSITPBZES-NKWVEPMBSA-N	206.673	-0.295	50	10	BBGE	
C[C@H]1CN(C(=O)NN)C[C@@H](CCO)O1	1885271823	PHSTWCDREJOGCI-NKWVEPMBSA-N	203.242	-0.959	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CC(C)(C)C(=O)NN	1885872225	KJUXCMUAEFNWMT-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CC(C)(C)C(=O)NN	1885872226	KJUXCMUAEFNWMT-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
N[C@@H]1CC(C(=O)NCC(Cl)Cl)=C[C@@H]1O	1887268359	GITWKURMKMSKMQ-RITPCOANSA-N	239.102	-0.075	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(C)(C)O	1888571226	FETROLLOTQEFBO-UHFFFAOYSA-N	224.282	-0.930	50	10	BBGE	
Nc1[nH]nnc1C(=O)NC[C@@H]1C[C@H]1Cl	1893088916	PIIQWAQZUPTLNC-IUYQGCFVSA-N	215.644	-0.256	50	10	BBGE	
C=C(CN(CCC)CCOC)B(O)O	1895148943	MSBZLABURXKLTR-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
O=C(NNCCO)[C@@]12CC[C@@H](CO1)C2	1896735891	VKMYIEJAEMXMJR-APPZFPTMSA-N	200.238	-0.831	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@@H](C)C(=O)NN	1900249684	AYQYECKNJBKZMK-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cnsc2B(O)O)[C@@H]1C	1900466503	HDNJQBANIZRVPA-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1COCCCO1	1900889372	JXNCDHFSNBWHCE-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
C[C@@H](OCc1nnn2c1CCC2)C(=O)NN	1901091352	ZOJVUGQURRXEKJ-ZCFIWIBFSA-N	225.252	-0.881	50	10	BBGE	
C[C@H]1C[C@H](C)C1n1cc(B(O)O)ccc1=O	1901186974	LMBRBAOHIHMSDL-YUMQZZPRSA-N	221.065	-0.255	50	10	BBGE	
CC1CN(c2ccc(B(O)O)cc2C#N)C1	1901201966	GOJVRAZCMXWLNP-UHFFFAOYSA-N	216.049	-0.306	50	10	BBGE	
CN(NC(=O)[C@H]1CNCC1(C)C)S(C)(=O)=O	1901375840	RMGJULSIXOXCNW-SSDOTTSWSA-N	249.336	-0.845	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C[C@H]1CCN1	1901377051	JNGAHQZOEBYMBM-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
CNC(=O)CN(C)[C@@H](C)CCCC(=O)NN	1901762625	IHMWOTBMVIAIPO-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CC[C@@H](B(O)O)C1	1902535011	WGXBLTYWKQEIBN-RKDXNWHRSA-N	226.085	-0.844	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@H]3C[C@@H]32)n1	1902640062	YTRSSEAGCZXERE-YUMQZZPRSA-N	238.121	-0.193	50	10	BBGE	
OB(O)c1cc(Sc2ncc[nH]2)ncc1F	1903005236	DUBUSIYNUPFWFP-UHFFFAOYSA-N	239.040	-0.225	50	10	BBGE	
O[C@@H]1CN(C[C@@H]2C[C@@H]2Cl)[C@H](CF)[C@H]1O	1905008683	KMFYWYIJWMAHNS-OFPUPOEVSA-N	223.675	-0.011	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C[C@@]1(C)O	1909658352	DBXUKONAXUUDRS-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CCC(=O)NN)N=S(C)(C)=O	1913514593	QFIINAJLPLRWNA-ZCFIWIBFSA-N	207.299	-0.127	50	10	BBGE	
Cn1nnc(CN(CCCl)C2COC2)n1	1915645359	FOKHWYYMBXZISF-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)C(F)(F)F	1923408165	WGNSRHYLXPOSPW-UHFFFAOYSA-N	237.141	-0.943	50	10	BBGE	
CCOCCN(C)CC(F)(F)C(=O)NN	1927815743	ASYZTGVGKUTBGM-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
CCNC(=O)CSC[C@H]1C[C@@H]1C(=O)NN	1927917116	IXAVKMWHJHTCOV-RQJHMYQMSA-N	231.321	-0.518	50	10	BBGE	
CC[C@@H]1CCN(CCOCC(=O)NN)C1	1928179276	OHFNJOYZNRDAID-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)CCOCC(=O)NN	1928180045	WXMXQQMKVDSWHO-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
O=C(Cn1cnnn1)N1CCC[C@H](Cl)C1	1928696021	JITBYCTYLWBVNS-ZETCQYMHSA-N	229.671	-0.097	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)[C@@H]1CO	1929739924	CEWYYXFLWGPTEP-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CCO)C1	1932108196	MCSQDILZKMADMJ-SECBINFHSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1N(C)CC(=O)NN	1932312675	KIMYXSXLPUXCBU-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CN1CCCN(CC(=O)NN)CCC1	1932321375	ORFYZWRHBWNJFR-UHFFFAOYSA-N	200.286	-0.996	50	10	BBGE	
CC(C)CN(CCO)[C@@H](C)CC(=O)NN	1933488625	QLKPFUXVZLTMAR-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NCB(O)O)C2	1935033698	LUNZMJPLAUDTJV-GVWIPJJGSA-N	213.042	-0.928	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CCO	1936094362	MMRRTARROQMUHP-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
Cc1c(C(=O)N[C@H]2COC[C@H]2Cl)nnn1C	1936102601	GXCPSQNNRURDQU-RQJHMYQMSA-N	244.682	-0.140	50	10	BBGE	
CN1C[C@H](NCCN2CCOCC2)[C@H](Cl)C1	1937205311	UNYKIFZHNIIBRD-MNOVXSKESA-N	247.770	-0.170	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1941086783	TXVCVIRETUWAOG-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
C[C@@]1(OCc2cc(C(=O)NN)no2)CCOC1	1942466261	TZWBSAOQKSRLGA-SNVBAGLBSA-N	241.247	-0.026	50	10	BBGE	
CO[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1OC	1945883688	DIJZKZFEZSSQCX-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
CC(C)C1CC(=O)N(CCC(=O)NN)C(=O)C1	1946635380	ATDQSQWCLWDCRZ-UHFFFAOYSA-N	241.291	-0.212	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnn(C)c1C	1947410895	HIDDTJRMWCXSQK-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949697277	NENXQDBOLCCNHL-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
COc1ncnc(N(C)C)c1[C@H](N)[C@@H](O)C#N	1953072519	JOANEQPXUMGVRQ-POYBYMJQSA-N	237.263	-0.565	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H]1CN(C)C	1955569462	NPKGSEPKOJNIBZ-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
C[C@H]1C[C@@H](OCCCC(=O)NN)CO1	1956932849	YVKKVJCQHIIHEI-JGVFFNPUSA-N	202.254	-0.050	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@H]2C)c(B(O)O)c1	1961686340	CFFOARJAUBAIDN-APPZFPTMSA-N	207.038	-0.143	50	10	BBGE	
OB(O)c1cncnc1Sc1cncs1	1961708862	TVFSMXBUXWJLDD-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CC(=O)N(C)C1=O	1962389192	CEMJBNWFHRGYOI-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
CC(C)COC1CN(C[C@H](C)C(=O)NN)C1	1976059020	RUQOZNGBEQBDBV-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
Cn1nnc2c1CCN(C[C@H](Cl)C(=O)O)C2	1980827638	HDSIYGBWMQVXKK-LURJTMIESA-N	244.682	-0.135	50	10	BBGE	
NNC(=O)CN1CCC[C@H]([C@@H]2CCCO2)C1	1981082215	HZVZPNWPYJLFRI-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cnc(N2CC3CC(C3)C2)nc1	1981414863	XCMYNQNVIOTOLJ-UHFFFAOYSA-N	219.053	-0.997	50	10	BBGE	
CCc1cccc(CNC(=O)C(=O)NN)n1	1984112843	RQTPTMVXHHKNND-UHFFFAOYSA-N	222.248	-0.750	50	10	BBGE	
C[C@@]1(CO)CCN1CCC(F)(F)C(=O)NN	1984127907	GNKULJPHOOROLZ-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC=C[C@H]1CO	1985651105	HPLCDYMUFYNSLJ-ZETCQYMHSA-N	235.234	-0.766	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	1985672668	AVUOSVCEILWVNM-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](C2(O)CC2)C1	1987340949	OZPUEOCPSRRFRR-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](C2(O)CC2)C1	1987342760	ZDCILJNPQFPNRI-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H]1C[C@H]1N=c1[nH]c(CCCl)nc(=N)[nH]1	1987759635	GRPIDFBUNYYHNW-RITPCOANSA-N	243.698	-0.313	50	10	BBGE	
C[C@H]1CN(c2ncc(F)cc2B(O)O)[C@@H]1C	1988001960	QAMOGNNHGVDYAE-NKWVEPMBSA-N	224.044	-0.255	50	10	BBGE	
CNCc1nc(NC(=O)C=CC(=O)Cl)n[nH]1	1991655134	RULLIYSPSZXJQL-UHFFFAOYSA-N	243.654	-0.216	50	10	BBGE	
Cn1[nH]c(CCN)nc1=NC(=O)[C@@H]1C[C@H]1Cl	1991685963	NTZGXPQFZIQCBG-PHDIDXHHSA-N	243.698	-0.696	50	10	BBGE	
C=C(CN1C[C@H]2CCCN2C[C@@H]1C)B(O)O	1992154148	VJDJELQFHJIUEO-WDEREUQCSA-N	224.113	-0.277	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NCC#CB(O)O)C1	1992167353	ITWOBWXVTPXGAY-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)N[C@H]1CCC=C1B(O)O	1994970171	GMPWKJXHBICSSZ-KDILMLJESA-N	227.044	-0.049	50	10	BBGE	
COCC[C@H](COC)N(C)C[C@@H](C)C(=O)NN	2001424532	DCUBWSBKSQHDBY-NXEZZACHSA-N	247.339	-0.404	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCCCO2)n1	2003506500	VGEMUWDOKNWLOX-UHFFFAOYSA-N	239.279	-0.449	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](n2cccn2)C1	2004328581	XSNPIWBVEACWLI-UWVGGRQHSA-N	237.307	-0.102	50	10	BBGE	
COC[C@]1(F)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	2009643428	ZKQFEETWLHBVCJ-KKZNHRDASA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@H]2CO)C1	2010832344	HKIDHDLRPLNGPI-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1CCCC(=O)NN	2014044010	BLRRMRSOGXJBGF-QMMMGPOBSA-N	244.295	-0.813	50	10	BBGE	
CCOC[C@@H](C)Oc1ncc(F)cc1B(O)O	2014930215	UKEGUFIHYDXYSW-SSDOTTSWSA-N	243.043	-0.296	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCN2CC[C@H]1C2)C(=O)NN	2017621333	AEHZQRLLANCHBV-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
COC[C@H]1CCN(CC2(C(=O)NN)CC2)C1=O	2018140893	ITCJTTCCCGULFM-MRVPVSSYSA-N	241.291	-0.749	50	10	BBGE	
CO[C@H]1CCC[C@H](C(=O)NCC#CB(O)O)C1	2021114316	LZOSRTJDQOWJJP-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
COC[C@@H](CC(C)C)C(=O)NCC#CB(O)O	2021124966	ACNOWICWIXMEQX-SNVBAGLBSA-N	241.096	-0.573	50	10	BBGE	
C=C[C@]1(CO)COCCN1[C@@H](CC)C(=O)NN	2022251970	YUBIWVUNKSDPIT-ONGXEEELSA-N	243.307	-0.996	50	10	BBGE	
Cc1nccnc1CN(C)CC1(C(=O)NN)CC1	2033727416	NNFNKHOMOARATR-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3COC[C@H]3C2)c1B(O)O	2052469087	MHSMIELNOGYHBW-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
CN(Cc1cn(C)cn1)c1ccc(B(O)O)cn1	2052471035	BZALSQLAWGAHGD-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
Cc1nc(N2CC3(CCCO3)C2)ccc1B(O)O	2052619800	KCUJDRUXPAYPRL-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
COc1c(Cl)cc(C#N)cc1B(O)O	2060110158	LCSKJESEHKJIQA-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c(OC)ccc(F)c1B(O)O	2060121189	PQOUUYRJGHWILM-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CCN2C)ccc1B(O)O	2066394832	LKZNEBZEQHFOJT-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
C=C(COC[C@H]1C[C@@H](OC)C1)B(O)O	2209985973	MXYUTJFAINOKMQ-DTORHVGOSA-N	200.043	-0.004	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@@H]1CF	2211136256	PTRQXSUTUNOUCB-SSDOTTSWSA-N	244.100	-0.243	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12COCC(C1)C2	2211563798	NJPMJHROMPVUQV-SILCLGDVSA-N	227.308	-0.277	50	10	BBGE	
N#CCC1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2211838190	DMAPNZAJHJRQDH-UWVGGRQHSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2212096639	COEAYCAFRWHFMY-JLIMGVALSA-N	227.308	-0.257	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@@H]32)c1	2212601373	NDUPQQNRYLNVAY-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
COC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2212604868	SWYRGQWQQVGDAD-QMMMGPOBSA-N	224.069	-0.483	50	10	BBGE	
NC1(CCOc2cc(B(O)O)ccn2)CC1	2212606961	CUAIAQFCIJKZRD-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
CNCC[C@@H](C)Nc1cc(B(O)O)ccn1	2212614681	GJGKQROOBGFPTR-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]3C2)CCC1	2216527740	GZLAIJBEYHVDQQ-AOOOYVTPSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H]3[C@H]2CO)CCC1	2216527753	HCAOQTFTPJPUPY-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)C(C)(F)F	2217174125	WGHGZFQUGVNLEP-LURJTMIESA-N	245.038	-0.719	50	10	BBGE	
OC[C@H](CC(F)F)Nc1cc(B(O)O)ccn1	2217178361	VCZRWIPAWCUXDP-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
NC[C@@H](Oc1ccc(B(O)O)cn1)C1CCC1	2217192722	ZYJGVIRAALPNBB-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CCC(O)(CC)CNc1ncccc1B(O)O	2217202103	HQFIJVYWQSYSGR-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
C[C@H]1OCC[C@@]1(C)Nc1cc(B(O)O)ccn1	2217205302	WZLKZAXMTWHMEW-LDYMZIIASA-N	236.080	-0.259	50	10	BBGE	
NC[C@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223625037	CGVYNCURBWHCFM-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CCCO1	2241353235	DXFBMRFSLVUKDD-UHFFFAOYSA-N	226.685	-0.209	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@H]1[C@@H](O)CO	2241811345	OHHZCXDLTHZMFS-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
CCNCCS[C@H](COC)C(=O)NN	2242284426	FRBGRDRAZOACQZ-SSDOTTSWSA-N	221.326	-0.666	50	10	BBGE	
O=C(NCC#CB(O)O)NC1CCSCC1	2242876179	GIUQXKLVCHPMHK-UHFFFAOYSA-N	242.109	-0.803	50	10	BBGE	
O=C(NC[C@H]1OCC[C@H]1F)C1(B(O)O)CC1	2243364231	SYWSTFHYBYCGOT-RNFRBKRXSA-N	231.032	-0.763	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)[C@@H](C)O1	2243366052	WUELYPOZIUAHGE-BWZBUEFSSA-N	227.069	-0.325	50	10	BBGE	
O=C(NC1CC1)c1ccc(F)cc1B(O)O	2243367188	PESXDOYDRCXDGQ-UHFFFAOYSA-N	223.012	-0.602	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2243382731	RCNYUCHSOZBMJO-HMELBQQSSA-N	221.065	-0.284	50	10	BBGE	
C=CC[C@H](CO)NC(=O)C1CC(B(O)O)C1	2243392079	RBUOFMKVKBWVLH-AMDVSUOASA-N	227.069	-0.707	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H]2C[C@H]2C1	2243399415	LTTDWOOYFBJGRB-OPRDCNLKSA-N	221.065	-0.446	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)c[nH]1	2243399954	SUQHOBBXMXPCJG-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243410028	UBLTXAZQRYCEMV-YUMQZZPRSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)C1(B(O)O)CC1	2243411048	MYEXRKJOJIHYFN-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
Cc1ncnc(N(C)[C@H](C)CF)c1B(O)O	2244148411	PKGGZQWZWSKOAC-ZCFIWIBFSA-N	227.048	-0.741	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CCC1	2244876836	JUCSSDAYHIEFLI-SCZZXKLOSA-N	229.324	-0.010	50	10	BBGE	
C#CC1(Nc2ncc(B(O)O)cn2)CCC1	2244938980	KBBLMOLEZDZEAG-UHFFFAOYSA-N	217.037	-0.876	50	10	BBGE	
CN(CC[C@H]1CCO1)c1nc(B(O)O)cs1	2246180520	UUERQRMWNMYWIZ-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1ccncc1B(O)O	2247723315	SKEVKKOEYUAEHM-SFYZADRCSA-N	234.064	-0.853	50	10	BBGE	
O=C(NC1CN(C2CCC2)C1)C1(B(O)O)CC1	2247755909	KHSCKPCFMJSTKC-UHFFFAOYSA-N	238.096	-0.654	50	10	BBGE	
CC1(N)CCN(C(=O)C2(B(O)O)CCC2)CC1	2247757938	YLOMFSOBMPAZNH-UHFFFAOYSA-N	240.112	-0.277	50	10	BBGE	
CC1(C)CCNC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247791662	OGPGLTDZRZNOEL-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2CC(B(O)O)C2)[C@@H]1C	2247797702	MGGGXSCKULMYFL-DJAYFPKFSA-N	241.096	-0.221	50	10	BBGE	
CCCN(C(=O)C1CC(B(O)O)C1)C1COC1	2247801256	YSLNWYKYQUKFPV-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804125	FIORRPJHHAVOAA-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
O=C(Nc1ccc(CO)cc1)[C@@H]1C[C@H]1B(O)O	2247806912	OXHSGUWNFGJKDK-NXEZZACHSA-N	235.048	-0.020	50	10	BBGE	
O=C1[C@@H]2[C@@H](CN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2(F)F	2247806949	PEEDJWNELPTAEQ-ZXXMMSQZSA-N	244.990	-0.901	50	10	BBGE	
CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247807670	ROCIQKZTZFXSCB-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1CNC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247809291	OSONMCHHWVHELB-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccn(C)n1	2247810184	VLYROKZKMHGUGK-RNJXMRFFSA-N	237.068	-0.540	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247846685	KRTDZFBOOZNAKS-QMSLJYSESA-N	236.080	-0.674	50	10	BBGE	
CN(C[C@]12C[C@H](CCO1)C2)C(=O)C#CB(O)O	2247849476	AHUXIIUNIWPWFT-JGZJWPJOSA-N	237.064	-0.971	50	10	BBGE	
CCOC1CC(NC(=O)C2CC(B(O)O)C2)C1	2247855015	MELQRFIUESIDHZ-UHFFFAOYSA-N	241.096	-0.077	50	10	BBGE	
CCCN1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247855459	SOCOKFHMGKNICU-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCCC(F)F	2247868257	RGYSDRGSJMWGPW-UHFFFAOYSA-N	247.006	-0.347	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCO1	2247893325	PZSNTNINYMTWLN-SEZDTBSWSA-N	241.096	-0.077	50	10	BBGE	
NCC1(F)CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247899728	PTEDXTRNAFXAGH-DOPNHTQNSA-N	244.075	-0.958	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](F)CN1C(=O)C1(B(O)O)CC1	2248579948	UGJWRFFETPHKIV-WDSKDSINSA-N	245.015	-0.983	50	10	BBGE	
Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2248585483	MIIADZJCGIKLRS-RNFRBKRXSA-N	236.036	-0.103	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC12CCC2	2249433169	ISGUBXQMPCRUQT-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
CON(CC1CC1)c1ncc(B(O)O)cc1F	2251004922	TWKIAQROHNBQBY-UHFFFAOYSA-N	240.043	-0.322	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1coc(B(O)O)c1)C2	2255453939	SYMDLPHUMVDPRJ-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
N#CC1CCN(C(=O)c2coc(B(O)O)c2)CC1	2255454563	PWAQJAPRTLCNSR-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC2CCC1CC2	2255550154	VZEUSPZXTGAAJS-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1C[C@H]2CCCC[C@@H]21	2255551618	ZXVFMYFZGUWREF-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
O=C(NC[C@@H]1C=CCCC1)c1cc(B(O)O)c[nH]1	2255670146	WGAODCOVDTUXSQ-SECBINFHSA-N	248.091	-0.219	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1ncccc1B(O)O	2255714141	MPXVQSSUOKLEOM-PRHODGIISA-N	248.091	-0.463	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1	2255726485	DFTOSQMTNGYKPG-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
CN(C[C@@]1(C)CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375590	QYOSFEHGGBUUOK-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@@H]2COC[C@@H]21	2300400543	SYWQKNASQUXVNI-ZNSHCXBVSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC(O)C[C@@H](C2)C1	2301123936	HDLRKZSXXSBJSH-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CCOCCOc1ccc(C=O)c(B(O)O)c1	2301452961	OOJQEWNKTATBJK-UHFFFAOYSA-N	238.048	-0.406	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	2302061539	SQSKGNCFLTVYEV-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1cnccc1OCC1[C@H]2COC[C@H]12	2302625219	QGIDHMTUPMRGST-YUMQZZPRSA-N	235.048	-0.967	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)c(F)cn2)CCNC1	2303859527	XGNJMBLEJTWIHQ-JTQLQIEISA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@@H]3CC[C@H]2N3)nc1	2312614232	BVPQAMSSTSUWSH-DVVUODLYSA-N	248.091	-0.719	50	10	BBGE	
O=Cc1ccc(N2C[C@H]3COC[C@H]32)cc1B(O)O	2317350207	OXGMSOBPZLYIOO-JOYOIKCWSA-N	247.059	-0.986	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@H]2CC[C@H]1NC2	2325308553	OUSOODDQJDCWDV-IEBDPFPHSA-N	248.091	-0.719	50	10	BBGE	
CCCN(CCO)[C@H](C)CC(=O)NN	58846556	WSECNGFIEHUYJM-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
NC(=O)CCNC(=O)CBr	78094344	GMZMKFWABJOZNG-UHFFFAOYSA-N	209.043	-0.627	50	10	BBGE	
C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)NN	82464274	NKGJMAOQTAZHJL-LURJTMIESA-N	223.232	-0.457	50	10	BBGE	
CC(C)[C@H](Sc1nnnn1C)C(=O)NN	82471824	VAXXDUGPZJBPMR-YFKPBYRVSA-N	230.297	-0.683	50	10	BBGE	
CC(C)(CN1CCCOCC1)C(=O)NN	86597852	IJTXDQQQWXASDD-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CN(CCCCC(=O)NN)CC(=O)NC1CC1	110591144	WGNYKOVFSIRZAZ-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)c1ccoc1Cn1cc(C(N)=O)cn1	110920075	HTEXWEKFLNMVGP-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@H](CC)C(=O)NN	113188407	SIXZPUGXXHVPFI-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
NNC(=S)NNC(=O)c1cccnc1	143037457	DZAKQVDOONMKFU-UHFFFAOYSA-N	211.250	-0.936	50	10	BBGE	
CN(C)NC(=O)C1(/C(N)=N/O)CCOCC1	149702818	GZUWCESFUNYOOM-UHFFFAOYSA-N	230.268	-0.878	50	10	BBGE	
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NN	167122199	QHXSZQNCMVZKRO-PJKMHFRUSA-N	213.281	-0.491	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)cc1OC	203741837	KUQMLPXRJAMDIN-UHFFFAOYSA-N	238.052	-0.484	50	10	BBGE	
CCn1ccn(Cc2ccccc2B(O)O)c1=O	211335211	GXPGDUXCMCYUQZ-UHFFFAOYSA-N	246.075	-0.602	50	10	BBGE	
O=C1CC[C@@H]2CN(C[C@@H](O)CCl)CCN12	225643441	LUIYOILTHWJTQO-BDAKNGLRSA-N	232.711	-0.107	50	10	BBGE	
NC(=O)N/N=C1/C(=O)Oc2ccccc21	238575884	BUYKWVBADJQFFT-YRNVUSSQSA-N	205.173	-0.022	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(CCN)CC1	243680271	PGJSAPSPGDGGHI-MRVPVSSYSA-N	219.716	-0.283	50	10	BBGE	
O=C(CCCl)NCCN1CCNCC1	244261864	WNBITVQCKPRNIO-UHFFFAOYSA-N	219.716	-0.363	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)[C@H](C)C(=O)NN	252743390	MBIHZBTYRGNRPW-CSMHCCOUSA-N	201.270	-0.526	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2[nH]c(=O)oc2c1	259036295	SFJXDKQYWHXIHP-ZETCQYMHSA-N	222.204	-0.889	50	10	BBGE	
Cn1nncc1S(=O)(=O)CCCl	300764632	OBBTXFUPTFGHLY-UHFFFAOYSA-N	209.658	-0.172	50	10	BBGE	
O=C1NCNN2C[C@H](Br)C[C@@H]12	306340073	WABZRQVXKBLBAV-UHNVWZDZSA-N	220.070	-0.584	50	10	BBGE	
Nc1ccc2scc(B(O)O)c2c1O	307170886	KWQQPYVMBFSLQH-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(CCl)N1CC[C@H](O)[C@H](CO)C1	307642599	MDXBYWAYVLGQLA-BQBZGAKWSA-N	207.657	-0.573	50	10	BBGE	
NC(=S)NNC(=O)CCN1CCCCC1	309143706	UJYBIUDHPBGHCB-UHFFFAOYSA-N	230.337	-0.273	50	10	BBGE	
C[C@@H](Cl)c1nc(N)nc(NOCC(N)=O)n1	309343996	YCBNMNCUSDONII-GSVOUGTGSA-N	246.658	-0.418	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCN(C)C[C@@H]2C1)C(=O)NN	310453700	WEARCZXCTYCHRL-OUAUKWLOSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)c1coc(COC[C@@H]2CCOC2)n1	386948604	IKTBMJAEJZDYSK-SSDOTTSWSA-N	241.247	-0.169	50	10	BBGE	
O=C(NN[C@@H]1CNC[C@H]1O)c1cccs1	393426263	GMIYMSMVSBLGTO-RNFRBKRXSA-N	227.289	-0.685	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(B(O)O)ccc1CO	396044060	XHATZQXDANUIID-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(CO)cc1B(O)O	396049384	DSQCMXCQFKBPQG-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
Nc1ccc2scc(C(=O)O)c2c1B(O)O	396238438	IAERYIFBUVTQDG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C/C=C\C(=O)Nc1cccc(B(O)O)c1	405022203	XRKKZQDSAFDDKN-RQOWECAXSA-N	205.022	-0.119	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@@H](C)CC(=O)NN	689809348	GCLHUGGDEHXQDN-WCBMZHEXSA-N	233.312	-0.916	50	10	BBGE	
Cc1ccc(OCc2nccn2C)c(B(O)O)c1	690875293	BIFQRAQUNQNNMK-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CC(C)(C)OC1CN(CC(=O)NN)C1	707277721	FNEBRTNZKOUCTG-UHFFFAOYSA-N	201.270	-0.524	50	10	BBGE	
ClCc1cn(CCn2cnnn2)nn1	712540782	NXXYIZPKWHKEBJ-UHFFFAOYSA-N	213.632	-0.296	50	10	BBGE	
CO[C@@](C)(CCl)CNCCn1cnnn1	712593087	HODLISDZPRWEAE-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)CCCl	717367482	SIRQLIKTNCXNSY-ZETCQYMHSA-N	208.689	-0.346	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3COC[C@H]3O2)CC(=O)O1	724603820	JIEISSRPCGAUHL-XHNCKOQMSA-N	241.243	-0.824	50	10	BBGE	
CC(C)(C)NC(=O)NNC(=O)[C@H]1COCCO1	759610052	CWKNQLBTIBZJIZ-SSDOTTSWSA-N	245.279	-0.469	50	10	BBGE	
CNC(=O)NNS(=O)(=O)c1ccc(C)o1	773232173	KZUHGGGPQADMHF-UHFFFAOYSA-N	233.249	-0.290	50	10	BBGE	
C=CCC(F)(F)C(=O)NNC(=O)c1cnn[nH]1	815443149	LYMIUSQBPJSBBK-UHFFFAOYSA-N	245.189	-0.223	50	10	BBGE	
CCNC(=O)NNC(=O)C(C)(C)n1cccn1	823799348	OKPDKJACBHPHET-UHFFFAOYSA-N	239.279	-0.032	50	10	BBGE	
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NN	825645353	XVLHRRSMYBRBMZ-NKWVEPMBSA-N	231.321	-0.076	50	10	BBGE	
CNCCNC(=O)NNC(=O)CCC(C)C	841936464	NNXVTJBUYDNPGF-UHFFFAOYSA-N	230.312	-0.028	50	10	BBGE	
CCNC(=O)NNC(=O)c1nccc(C)n1	1116856457	BDCNDTYRYDFERV-UHFFFAOYSA-N	223.236	-0.251	50	10	BBGE	
O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2)N1	1135404866	DEQGAEXASAKTQK-QMMMGPOBSA-N	233.227	-0.664	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1	1136448257	ZJKOWTNSXIDISW-UHFFFAOYSA-N	239.235	-0.970	50	10	BBGE	
CN(NC(=O)c1ncc2ccccn12)C(N)=O	1295200994	IPPPMGACVVLLRX-UHFFFAOYSA-N	233.231	-0.010	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)c2ncon2)C1	1539050962	MOHQNYZRGIBQMM-NTSWFWBYSA-N	240.219	-0.744	50	10	BBGE	
CC(=O)NNC(=O)C(=O)c1c(C)nn(C)c1C	1587581737	JXGXWEGQIUDXRN-UHFFFAOYSA-N	238.247	-0.613	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cc2ccco2)nn1	1617484548	RCUZFXXBMBRTTA-UHFFFAOYSA-N	249.230	-0.588	50	10	BBGE	
O=C(NNc1cccnn1)N[C@@H]1COC(=O)C1	1637898842	OFGGDDJQRDKSPR-LURJTMIESA-N	237.219	-0.582	50	10	BBGE	
CN(C)S(=O)(=O)NOCCBr	1880350034	IGXPLQOAZXJIIA-UHFFFAOYSA-N	247.114	-0.291	50	10	BBGE	
C[S@@](=O)CCNC(=O)C=CC(=O)Cl	1883626698	KDCJMXKXHSTWDK-CYBMUJFWSA-N	223.681	-0.197	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](NCC2COC2)C1	1885008779	DPPIAAFGPCLUML-SFYZADRCSA-N	239.724	-0.373	50	10	BBGE	
CN1[C@@H](CNOCCCl)CCS1(=O)=O	1888294805	WNZFQNULUTXJMP-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
O=CNc1cc(F)c(B(O)O)c(F)c1	1889799827	PQMSWUPMSFXAEY-UHFFFAOYSA-N	200.937	-0.787	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(C[C@@H](O)CCl)C1	1891943866	ZJXBLRADGUEWLU-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
CN(CC[C@H]1CC1(F)F)CC(=O)NN	1892633942	COUTYMSHZARJDR-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
CC(C)(C)NC(=O)NCC=CB(O)O	1892924584	PICUTDWKIVWQSH-UHFFFAOYSA-N	200.047	-0.348	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNNCC1	1893505755	ZTNHDPKCBDQKTA-OWOJBTEDSA-N	217.656	-0.756	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(C1)OC[C@@H](O)[C@H]2O	1896136351	CLLGUICCGYGSJE-XLPZGREQSA-N	249.694	-0.663	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](Cn2ccnn2)O1	1896928563	JWUQKFSPSXZCKM-SFYZADRCSA-N	225.252	-0.794	50	10	BBGE	
C[C@@]1(O)CN(C(=O)C=CC(=O)Cl)CC[C@@H]1O	1897747920	OMDZQHYAUAWQRH-OIBJUYFYSA-N	247.678	-0.348	50	10	BBGE	
C[C@H](CCO)Nc1cc(B(O)O)c(F)cn1	1903006067	OMUWTHNJQHINJG-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1sncc1B(O)O	1905062654	FAHDNXVZBQPFSY-SYDPRGILSA-N	244.056	-0.947	50	10	BBGE	
NNC(=O)COCc1ncc2ccccn12	1905146582	RYWWLVNRFQWWPE-UHFFFAOYSA-N	220.232	-0.159	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)C(=O)C(=O)NN	1906084220	TVQYDVIZMYOWEO-YLWLKBPMSA-N	203.217	-0.817	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H](O)[C@@H](F)C2)C1	1908357245	GJIDUYIOUKMLSN-JXUBOQSCSA-N	245.298	-0.593	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)C2COC2)CC1	1923216425	KDDGSOXSPLHVIQ-UHFFFAOYSA-N	246.288	-0.935	50	10	BBGE	
NNC(=O)COCCN1CCC(F)CC1	1928182458	ZNYSEOCZNXBJPU-UHFFFAOYSA-N	219.260	-0.573	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1[C@@H]2OCCN[C@@H]21	1929944019	ARFWYGISSAMHSY-QYNIQEEDSA-N	239.102	-0.107	50	10	BBGE	
CC(C)[C@H]1CCC[C@H]1NC(=O)C(=O)NN	1932512214	RKLQIIQETGQMSV-HTQZYQBOSA-N	213.281	-0.083	50	10	BBGE	
CC[C@H](CN)SCC(=O)NNC(C)=O	1934303154	OQJPZAWIVRTITQ-SSDOTTSWSA-N	219.310	-0.376	50	10	BBGE	
C[C@@H]1CN(CCCCC(=O)NN)C(=O)N1C	1936021811	LMWOSNLPKFJAAT-MRVPVSSYSA-N	228.296	-0.098	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H](C2)CS1(=O)=O	1936150101	AEPDQDACCRTSOL-YUMQZZPRSA-N	247.320	-0.820	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cscn1	1936536427	RFDHVBFWJYWPEC-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
COC[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941085929	GHLDRKKHGIMXFD-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
CCCN(CC(=O)NC)C[C@@H]1C[C@H]1C(=O)NN	1941095345	WGAFXEUEEFDGOI-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](OC)C(C)(C)C1	1944720327	UUCFELXUNFNQRQ-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
COCC1(O)CCN([C@@H](C)CC(=O)NN)CC1	1946493074	JXIZIKGLGVTTPT-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CCn1ncnc1CN1CC[C@@H](B(O)O)C1	1951319927	AEPRINAOMJVJHM-MRVPVSSYSA-N	224.073	-0.653	50	10	BBGE	
O=C(CBr)[C@H]1[C@@H]2OCCN[C@@H]21	1953233488	UIQYTKUBDGHEPQ-QYNIQEEDSA-N	220.066	-0.063	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)[C@@H](C)CCl	1954185415	DVNAFQVFNFMAHA-LYFYHCNISA-N	209.673	-0.281	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1957560340	SEFQZHKZMKTLTE-CYZASJMISA-N	233.695	-0.138	50	10	BBGE	
C=C1C[C@@H]1COc1cncc(B(O)O)c1	1958254954	OOFZOLRJWGPNHH-MRVPVSSYSA-N	205.022	-0.284	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](O)CC12CC2	1961236073	LQHILFMYIUBELC-MRVPVSSYSA-N	213.281	-0.644	50	10	BBGE	
Cc1ccnc(N(C)C(C)C)c1B(O)O	1961690750	KNNAYEGBXRVKED-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)C[C@H]1C	1961718997	WMQOWUJTSCTYQI-RNFRBKRXSA-N	226.110	-0.085	50	10	BBGE	
CCn1ncnc1CN1CC(=O)OC(=O)C1	1980027543	LZMBEFZWGXYBCN-UHFFFAOYSA-N	224.220	-0.817	50	10	BBGE	
CSCCN1CCN([C@@H](C)C(=O)NN)CC1	1981082819	NGWMJFSEBCBQDX-VIFPVBQESA-N	246.380	-0.655	50	10	BBGE	
CN(C[C@H]1C[C@]12CC2(F)F)C(=O)C(=O)NN	1981256771	NSXPDVSOVACJFH-XRGYYRRGSA-N	233.218	-0.520	50	10	BBGE	
CCN(CC)CCOc1nc(B(O)O)cs1	1982849093	HPYUKJYFEOJFKZ-UHFFFAOYSA-N	244.125	-0.457	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1987093874	WRZZXOMYOZFTHR-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1(CCO)CC1	1988602038	WGVRJFOQSIKZFV-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnsn1	1991333268	SXOQGXNWPKSUEG-LURJTMIESA-N	239.065	-0.631	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1991652571	OQDDJLDCQPBEFR-OFLNYADTSA-N	245.662	-0.740	50	10	BBGE	
CC[C@]1(C(=O)NCC#CB(O)O)CC1(F)F	1992152512	GGRIZGOHVNIHQZ-MRVPVSSYSA-N	231.007	-0.447	50	10	BBGE	
Cc1ncc2c(n1)CN(CCC(=O)NN)C2	1994939958	IIDFJFSPQQOVCE-UHFFFAOYSA-N	221.264	-0.519	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](O)CC1(C)C	2003759055	MRFZLTYPAMQWAZ-SECBINFHSA-N	243.307	-0.611	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](CN(C)C)C1	2003922203	IIVXIRZEMNQFMC-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCCCNC1=O	2004249351	JSOGBZYFVSECAE-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)[C@H](C)C(=O)NN)o1	2004410512	ZDNDSPBZLYOIOH-BQBZGAKWSA-N	241.295	-0.176	50	10	BBGE	
CCc1nccn1-c1ncc(B(O)O)c(C)n1	2005007414	GFVSOUVPEMCDIA-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ncc(B(O)O)cc1F)C2	2005017204	BDTIFJQZVRXCCT-HQJQHLMTSA-N	236.055	-0.253	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)[C@H]1C[C@@H]1F	2006987595	IDEGUDHFMUNYTQ-BQBZGAKWSA-N	241.002	-0.198	50	10	BBGE	
C[C@H](Cn1cccc(B(O)O)c1=O)C1CCC1	2008844649	QOXNRJIGIVXTJH-SECBINFHSA-N	235.092	-0.036	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2C[C@@H](C)C[C@H]2C1	2010600882	QADJPAHFTGUNSN-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CC1(O)CC2(CN(CC3(C(=O)NN)CC3)C2)C1	2011901258	VLMQOFQNXPDYEX-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCC(=O)N(C)C1	2014820763	KJUCYXFPZVBZRT-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc([N+](=O)[O-])o1	2020056634	MPQVFLHROXUVFJ-UHFFFAOYSA-N	239.980	-0.514	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@@H]2[C@@H](C1)C2(F)F	2021157810	RGJZZRVYSNMSBH-HTQZYQBOSA-N	243.018	-0.591	50	10	BBGE	
COc1nc(OC[C@H]2C[C@@H]2C)ncc1B(O)O	2022578062	CWLCDAORVVWTLO-NKWVEPMBSA-N	238.052	-0.800	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)CC1(F)CC1	2025748138	ACNDEWFFMNKFKP-RKDXNWHRSA-N	245.298	-0.042	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C2CCCC2)nc1	2052468315	BJQOVYJYPMAUAU-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnc2c(OC3COC3)ccnc2c1	2052486903	JDDXKQDBBOOTME-UHFFFAOYSA-N	246.031	-0.913	50	10	BBGE	
CCOc1ccc(OC)c(OC)c1B(O)O	2060053132	SNNANQXKJAODDC-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CCc1c(OC)ccc([N+](=O)[O-])c1B(O)O	2060053621	DWVYCKPYUZAVAG-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
O=C(CN1C[C@H]2C[C@H]1CO2)NNc1ccccn1	2075109700	XWILBGBTXJLHGI-VHSXEESVSA-N	248.286	-0.002	50	10	BBGE	
Cc1ccc(C(=O)N2CCC(B(O)O)CC2)nn1	2208629260	MKAQXWWBFPBFHL-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
COC1(C)CN(Cc2ccc(B(O)O)s2)C1	2211080694	SSCWOICXAVCUBJ-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(OC(F)(F)CF)C1	2211917797	KLTOLLMDIFFFTJ-RXMQYKEDSA-N	241.213	-0.372	50	10	BBGE	
CC(C)N(CCO)CC1(C(=O)NN)CCC1	2212263931	YSCUCZNXDNOKRF-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](OC(F)(F)F)C1	2212369625	AAKKYKOQXHLNEN-WDSKDSINSA-N	241.213	-0.025	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1CC1(C(=O)NN)CC1	2214801251	OZGLLMXAAOSXCS-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2215132951	ISRINPNCGGBCQT-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CO[C@@H](C3)C2)CCC1	2216532265	MFRQLRFSSNINDV-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CCC[C@@H](CN)Nc1nccc(B(O)O)c1F	2217182583	BLLMOYALDHRZEG-ZETCQYMHSA-N	241.075	-0.560	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Nc1ccc(B(O)O)cn1	2217182696	GKGDYCWTZAITRS-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
CC1(C)COC[C@H]1Nc1ccc(B(O)O)cn1	2217203508	WCHYJAFZSRWTAW-SECBINFHSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1CNCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223629695	WNGNOHQZQMVYHP-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1CCCN(c2ccc(B(O)O)cn2)[C@@H]1CN	2223631932	CRPHCKASWSAUPG-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23CC[C@H]2CNC3)c1	2223634667	NKSDUJJWVWBSEI-JOYOIKCWSA-N	247.107	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223635297	VIYRGBJLFDNVII-YKDSUIRESA-N	247.107	-0.718	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCCNC2)cc1B(O)O	2223643123	RWJYKMBQIHTCGJ-SNVBAGLBSA-N	249.123	-0.376	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C)C(=O)NN	2242162279	KWLNRYPIUYDZFZ-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)oc1C	2243348169	UUSYHXLYDNRIAO-UHFFFAOYSA-N	227.025	-0.491	50	10	BBGE	
CCC(O)(CC)CN(C)C(=O)C#CB(O)O	2243350234	XWVIEWFWMLCTTH-UHFFFAOYSA-N	227.069	-0.989	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1CCCSC1	2243350309	ZBBAFDOASDNMGI-RKDXNWHRSA-N	241.121	-0.350	50	10	BBGE	
CC1(C)CN(C(=O)c2ccsc2B(O)O)C1	2243359626	VJNKKDBVSUFBFB-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1NC(=O)C1(B(O)O)CC1	2243364182	SHUJGDSDZQPOCZ-NKWVEPMBSA-N	226.085	-0.765	50	10	BBGE	
CN1CC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2243364305	VAKQDOQFWBAOMU-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)no1	2243381170	CWXCEJRJAXNIJM-OLQVQODUSA-N	225.013	-0.430	50	10	BBGE	
C[C@]1(CO)CCN1C(=O)C1(B(O)O)CCC1	2243397590	FGOXWTUMSRDMFA-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2C=C[C@H]1C2)B(O)O	2243427348	UCKDZGKLXCHGKB-IUCAKERBSA-N	243.093	-0.855	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ncc(B(O)O)s1	2243667824	LFNHAPSASXWUPQ-ZCFIWIBFSA-N	240.093	-0.026	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247733999	QLZPYQFQPPKBBX-SSDOTTSWSA-N	235.048	-0.733	50	10	BBGE	
CCCN(CC)CCNC(=O)C1(B(O)O)CC1	2247755752	JRVMNQJNRUZYCO-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cn1	2247771723	YEJMSBKEEVKYIW-CPCISQLKSA-N	234.064	-0.710	50	10	BBGE	
CCON(C)C(=O)c1nccc(C)c1B(O)O	2247790078	AGYMIGDMZUBFDU-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@H]1CCOC1	2247797989	PFTVMWUZZVZMRG-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247798122	QIJYZPIGNRTTRK-BBBLOLIVSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247800620	QSXHSEIERMRUSU-WOOKNIGNSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]1(C2CC2)CCCO1	2247842239	RBPCJXUGGVMXKQ-NSHDSACASA-N	237.064	-0.923	50	10	BBGE	
CC(C)(C)c1cc(NC(=O)C#CB(O)O)on1	2247848036	GDMYOSYKCJKQIE-UHFFFAOYSA-N	236.036	-0.074	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1CN(C)C(=O)C#CB(O)O	2247848645	OMABYJUZPUQEIV-KXUCPTDWSA-N	239.080	-0.726	50	10	BBGE	
O=C(N[C@@H]1CCN2CC[C@H]1C2)[C@@H]1C[C@@H]1B(O)O	2247886960	IIEPBFBCGTUPAY-QCLAVDOMSA-N	238.096	-0.940	50	10	BBGE	
COCC[C@H](COC)NC(=O)[C@H]1C[C@H]1B(O)O	2247894734	KHCPBIHWXIEGQX-HRDYMLBCSA-N	245.084	-0.983	50	10	BBGE	
CCN(CC1CN(C)C1)C(=O)[C@H]1C[C@H]1B(O)O	2247895537	ARMLFHZENOJOHX-VHSXEESVSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896608	HWEDUJZQXVQLAP-AATLWQCWSA-N	240.112	-0.422	50	10	BBGE	
O=C(Nc1cccc(CO)c1)[C@H]1C[C@@H]1B(O)O	2247897324	QURTXZDDKOQMLN-UWVGGRQHSA-N	235.048	-0.020	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCOC1(C)C	2247898547	FLSSMNJJMASANO-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1nccnc1B(O)O	2248062925	GGWQOSOAEZWOHJ-SSDOTTSWSA-N	237.068	-0.925	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1ccnc(B(O)O)c1	2248416808	ZBTBSMFFXJAWQR-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
CC1(C(=O)O)CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2248569609	RHTIRIUGDWUWEF-IUBIVETDSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1cocc1B(O)O	2249410193	MIQWYALGHGFYFO-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)co1	2249434171	WIJAEHGUVNIEFM-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
CCC(CC)ONC(=O)c1cc(B(O)O)co1	2250170004	KGLJENDMBOJTOY-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
Cc1ncncc1NC(=O)c1ccc(B(O)O)o1	2255466468	ZCRDEJZENQJEMP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=CCN(CCC)C(=O)c1ccc(B(O)O)cn1	2255520586	MERIILKMUCKKKI-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
O=C(NC1(C2CC2)CCC1)c1n[nH]cc1B(O)O	2255553840	DHJKCQAAASKLFG-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
Cc1nccnc1CNC(=O)C1CC(B(O)O)C1	2255578585	ISHSGCRSBOUQQK-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1ccoc1B(O)O	2255717439	KHMIJJCEMXGRBF-UWVGGRQHSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2cocc2B(O)O)C1	2258140441	CJXJEIUFXZYZRW-IUCAKERBSA-N	247.059	-0.509	50	10	BBGE	
O=C(N[C@H]1C[C@H](CO)[C@H]2C[C@@H]12)C1(B(O)O)CC1	2298367988	GVYJEOPKZQEOTD-BGZDPUMWSA-N	239.080	-0.874	50	10	BBGE	
N[C@H]1C[C@](F)(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377047	BTBDCGOHMYGHEL-VQKYGHEFSA-N	244.075	-0.815	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CO[C@H]2C3)c1	2298567378	KFDAATNADZUOIA-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)CC1(O)CC1	2301919455	PDHYSFNXVXMGQT-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(C)(C(N)=O)C1	2302017816	JJSHWSBGHOASGT-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2303419879	KREOMHRGLQBMCJ-IQJOONFLSA-N	247.314	-0.203	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CNC[C@H]1F	2303695769	GIRUZSXZWUOYNC-HTQZYQBOSA-N	244.075	-0.848	50	10	BBGE	
COc1cnc(CN(C)[C@H](C)C(=O)NN)nc1	2307330759	ACAVHBBVOPKCFT-SSDOTTSWSA-N	239.279	-0.705	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(F)c1	2309543722	BURFMDZGGBPGFJ-QSKNDCFUSA-N	248.066	-0.255	50	10	BBGE	
N[C@H]1CC[C@@H]2C[C@]12COc1ncccc1B(O)O	2312612382	UQTMOHGEYDYBNU-UBHAPETDSA-N	248.091	-0.732	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C=CCNC1	2317207753	VHKVAJQVLJDABL-NSHDSACASA-N	244.059	-0.855	50	10	BBGE	
C[C@H](NC(=O)Nc1ncccc1B(O)O)C1CC1	2317595290	YRPAOECWMIBPSU-ZETCQYMHSA-N	249.079	-0.319	50	10	BBGE	
NNC(=O)CCNC(=O)c1ccncc1	31847675	KFXRIDAQJVJWFG-UHFFFAOYSA-N	208.221	-0.809	50	10	BBGE	
CN(CC1CC1)C[C@H]1CC[C@H](C(=O)NN)O1	82468911	LUGYERUPKAWHJS-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598451	KMRSMIHRIJLNDU-HNJRMYHASA-N	227.308	-0.257	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(C)(O)CC1	88023280	AKSWXNMSLXLNOE-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CN1C(=O)C(=O)c2ccc(F)cc21	104424984	HZUUIAHUPYIOFS-UHFFFAOYSA-N	237.190	-0.655	50	10	BBGE	
CNC(=O)CN(C)Cc1occc1C(=O)NN	110574832	APJIHHVKZYLZKP-UHFFFAOYSA-N	240.263	-0.939	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC(=O)NC1CC1	110591123	TXAXSOULWAAMJY-SNVBAGLBSA-N	242.323	-0.789	50	10	BBGE	
CN1CCC(CN2CC(=O)OC(=O)C2)CC1	111218215	IOTGUMOFBFNLQX-UHFFFAOYSA-N	226.276	-0.286	50	10	BBGE	
COCCOCCO[C@@H](C(=O)NN)C(C)C	125984422	GLGXTIKTFQSDNG-SECBINFHSA-N	234.296	-0.320	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(OCCO)CC1	126169855	GRBGAOKNPNTQLP-JTQLQIEISA-N	245.323	-0.772	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1ccc(O)cc1	163567974	IRHZTRSPDNTLCD-SNVBAGLBSA-N	223.276	-0.145	50	10	BBGE	
CN(C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	167565927	RJIGZCFPCYGNMP-WDSKDSINSA-N	240.712	-0.338	50	10	BBGE	
Cn1ccc(COc2ccc(B(O)O)cc2)n1	211867847	TXBWTKYNQCPXAN-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
[C-]#[N+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	216709080	RLERUFBZLBQJQG-SSDOTTSWSA-N	216.262	-0.449	50	10	BBGE	
O=C1CN([C@@H]2CCSC2)CC(=O)O1	231417541	PDAOBQQVZLTRSF-ZCFIWIBFSA-N	201.247	-0.123	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CCCC1	232419111	HQSWNQQUTFATEO-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
Cc1nnc(-c2cncc(B(O)O)c2)o1	238547371	DYWOQDADNJKPAH-UHFFFAOYSA-N	204.982	-0.880	50	10	BBGE	
OB(O)c1ccc(-c2ncccn2)cc1	238646616	MENKOUWWEIDXIM-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@H](C)[C@@H](C)C(=O)NN	252608968	SRPRGPSUFQASSP-IWSPIJDZSA-N	242.323	-0.789	50	10	BBGE	
O=C1[C@@H]2O[C@H]2[C@H]2O[C@H]2[C@H]1Br	306205435	GJJDIMLERSBQTA-JSVIABQSSA-N	205.007	-0.133	50	10	BBGE	
O=C(CCl)N1C(=O)CN2CC[C@H]1C2	307040731	MTWSTWFGSDMPCA-LURJTMIESA-N	202.641	-0.332	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)C[C@@H](C)S1(=O)=O	307178463	JGNZMJFZCIPGMO-PHDIDXHHSA-N	221.282	-0.923	50	10	BBGE	
Nc1ccc(B(O)O)c2scc(N)c12	307187094	OCNGHYJELLLLGZ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCOC(=O)C/C(C)=N/NC(=O)CN	308337792	GLRUPGGHMWHKKI-UXBLZVDNSA-N	201.226	-0.610	50	10	BBGE	
C[C@](N)(C(=O)NNC(=O)C1CC1)C1CC1	309382707	DMGSDGOUUYKQHG-SNVBAGLBSA-N	211.265	-0.329	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1CCC(=O)NN	379873893	RUEJYIQNAGVKKY-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)CCCCCN1CC(CC(N)=O)C1	382195373	KTHKKBMMDNJYBF-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
COc1cc(B(O)O)nc(C(F)(F)F)c1	396116634	DRMYQOCFOGBFCL-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
CCOC(=O)Cc1nc2ccc(B(O)O)cc2o1	396117856	LIDJLIFICZGPGG-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
COC(=O)CSCC(F)(F)C(=O)NN	685956043	LCDLNZMTAJYFJU-UHFFFAOYSA-N	228.220	-0.482	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CO)CC[C@H]1C	688740840	JWZYFEARCITSSE-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)C[C@@H](C)O1	689142825	FAJDRDGALOPNEJ-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
O=C1CN(C[C@@]23CCCN(CC2)C3)CC(=O)O1	691572135	OSGLBDFEGQEVAU-LBPRGKRZSA-N	238.287	-0.142	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCCN2)CC1	692115442	YWABDTOMPXXATJ-VIFPVBQESA-N	223.276	-0.385	50	10	BBGE	
COC[C@]1(C(=O)O)CCCN1C(=O)NN(C)C	692356964	BLGFBDUOJCNJQV-JTQLQIEISA-N	245.279	-0.262	50	10	BBGE	
CCN(CC)C1CN([C@H](C)C(=O)NN)C1	697802843	BKRZQEKTJJQYMS-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1Cc2ccccc2CO1	701933400	YERFEQUKYZPVIB-JTQLQIEISA-N	235.048	-0.744	50	10	BBGE	
C[C@@H]([C@H]1CCCCO1)N(C)C(=O)C(=O)NN	706004640	GVZJQAMGIMNVFO-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CN(C)C[C@@H]2C1	706202459	KCSFSJXSGLYTCD-UKKRHICBSA-N	240.351	-0.506	50	10	BBGE	
CCc1nnc(C)cc1C(=O)NCB(O)O	706510373	JUOVLLKWIVDSEI-UHFFFAOYSA-N	223.041	-0.911	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	709378183	POIIAZSNCCUXAH-SCZZXKLOSA-N	229.324	-0.154	50	10	BBGE	
COC[C@H](COc1cccc(B(O)O)c1)OC	709886762	YHTAGCCZMRCCRE-LLVKDONJSA-N	240.064	-0.593	50	10	BBGE	
CN(C)C[C@]1(O)CCN(C(=O)CCl)C1	713719012	OAUUWXGTPSYXAK-SECBINFHSA-N	220.700	-0.250	50	10	BBGE	
Cc1cn(C)nc1CN(C)C[C@H](C)C(=O)NN	723523049	AEGTZDCGHSYSTB-VIFPVBQESA-N	239.323	-0.214	50	10	BBGE	
CO[C@H]1CN(C[C@@H](Cl)C#N)C[C@@H]1O	725560879	ZPJVSFJOYVZDAU-FXQIFTODSA-N	204.657	-0.191	50	10	BBGE	
CN(C(=O)C1=NCN=C1)[C@H]1COC[C@@H]1Cl	725690781	OMJKGJDIRPDVSX-XPUUQOCRSA-N	229.667	-0.066	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCC(F)F	793924708	LKBPBEKPHHQLKO-UHFFFAOYSA-N	224.207	-0.050	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CN(C)C)nn1	1182600410	OMHVXOITEWWTQC-UHFFFAOYSA-N	237.263	-0.892	50	10	BBGE	
Cn1ccnc(NNC(=O)c2ccnnc2)c1=O	1182902492	FRDGSMJWYPZVFM-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2cccnn2)c1	1446657508	BFVRDSBZFNHYNS-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NN=c2cc[nH]cc2)c1	1466786606	ZRVAVUQDCSNQNI-UHFFFAOYSA-N	244.254	-0.041	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1	1526855466	BCOPQRSQRYSSIO-YUMQZZPRSA-N	230.264	-0.262	50	10	BBGE	
C[C@@H](NC(=O)C=CC(=O)Cl)C(=O)O	1883626266	DLGBBGXWNRDHHW-SCSAIBSYSA-N	205.597	-0.103	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)[C@@H](O)CO	1883645948	UEKBKEVJSXANRV-VZFHVOOUSA-N	207.657	-0.528	50	10	BBGE	
O=C1NCCN(C[C@H]2C[C@H]2Br)C1=O	1891863432	YXKLWZAAHKLALX-PHDIDXHHSA-N	247.092	-0.272	50	10	BBGE	
C[C@H](NC[C@@H]1C[C@H]1Cl)C(=O)NC(N)=O	1893109010	WGRLZISZOUNQFM-HCWXCVPCSA-N	219.672	-0.213	50	10	BBGE	
COC[C@@H](O)CNC(=O)/C=C/C(=O)Cl	1893498084	OZFMYHHZHJLKHY-SZKDQXIBSA-N	221.640	-0.569	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCc1cnn[nH]1	1893504402	HELWWLPNNFKIHZ-OWOJBTEDSA-N	214.612	-0.258	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)OC1=O	1893845694	KDHULTBNPSBDRM-LURJTMIESA-N	215.253	-0.014	50	10	BBGE	
CCN(CCF)C[C@@H]1CC[C@H](C(=O)NN)O1	1896176066	OILMQIIUTKOIPB-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2NC(=O)O[C@@H]2C1	1897219787	XAEMHEKGUXDTKE-NTSWFWBYSA-N	244.634	-0.373	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)C[C@@H]1CO	1899578349	ZALAJJDXOHARRB-RQJHMYQMSA-N	243.712	-0.670	50	10	BBGE	
C=CCC1(C(=O)NN(C)S(C)(=O)=O)CNC1	1901375439	LUNGTZWDEVJSBM-UHFFFAOYSA-N	247.320	-0.925	50	10	BBGE	
OB(O)c1csc(CN2C3CCC2CC3)n1	1902638045	UVWUMXCYEKULFQ-UHFFFAOYSA-N	238.121	-0.050	50	10	BBGE	
OB(O)c1cc(N2CC[C@H](F)C2)ncc1F	1903005414	GUKACYSTLNACTQ-LURJTMIESA-N	228.007	-0.551	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)N2CC[C@@H](B(O)O)C2)C1	1905585134	ZVMCRJPMACLWBV-DTWKUNHWSA-N	237.068	-0.499	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC[C@@H]2C[C@@H]21	1905648597	QERXAMCIHGKJDR-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@]1(CO)CCNC1	1909295370	HLYNDQYJMSUPFJ-KTOWXAHTSA-N	232.711	-0.156	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2C[C@H]3C[C@H]3C2)O1	1909805739	QZMCBQAFPZKUDP-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911289443	WLPWGWDHJIRSLH-LADJIXMOSA-N	241.335	-0.439	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cnco1	1913636884	USMOZLQDBCSHPU-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC[C@H]1CCOCCN1[C@@H](COC)C(=O)NN	1913638884	FOOLOCSEGZEEDE-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C1(CN2CCC3(COC3)C2)CC1	1915572009	CTZQLYBAQUGSRN-UHFFFAOYSA-N	225.292	-0.521	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1927918894	YQJXLRVQSADORS-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
C#CCOCCONS(=O)(=O)CCl	1930870561	VJTMHVQDBDGBIC-UHFFFAOYSA-N	227.669	-0.317	50	10	BBGE	
CC(C)(C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936089457	CEDXUDNCJLBBLH-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1936093961	JATHIVKCHJUCML-IMSYWVGJSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2[C@H](C1)C2(F)F	1936534319	OOMCVRVSESVICT-KNVOCYPGSA-N	235.234	-0.810	50	10	BBGE	
CC1(C)CN(C(=O)NC(=O)CCl)CC(=O)N1	1937809602	CNOKAGIEKPOCEE-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1COCCO1	1939103585	YBLSTYMILVWXFP-DJLDLDEBSA-N	230.264	-0.956	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@@H]2C1=O	1940090887	BJBCFANZEVVYOA-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1OCCO[C@@H]1C	1940290479	AZUTYUGDQYBQBF-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)[C@H](C)CC(=O)NN	1940292458	XCLUQBPIZQORLE-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1941071633	GIQOMCUYNBLRTE-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CN1CCC[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082770	INGPGTANILPKOZ-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CN(CCOCC(=O)NN)CC1CCOCC1	1941783957	IGDQSFYKYRXTCK-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@@]1(OCCN2CC(=O)OC(=O)C2)CCOC1	1942430212	KLBQLLLWXNLKMO-LLVKDONJSA-N	243.259	-0.433	50	10	BBGE	
O=C(CCl)N1CCO[C@@H](CCO)C1	1954100347	ORKDBXKRZYDBRS-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
CO[C@]1(CNC(=O)NN)CCCOC1	1954924702	OWMXQLCPTXDHQF-QMMMGPOBSA-N	203.242	-0.645	50	10	BBGE	
NCCOCCSCCCC(=O)NN	1956690877	RWUMAPKBSRTMNG-UHFFFAOYSA-N	221.326	-0.535	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)C[C@H](C)Cl	1957308358	VOFKDTLFEQAOKT-NTSWFWBYSA-N	223.656	-0.346	50	10	BBGE	
C[C@H]1CCN1c1ncc(B(O)O)cc1F	1961717578	CKQKKHPCOAPVBD-LURJTMIESA-N	210.017	-0.501	50	10	BBGE	
COCCn1nnnc1CNC(=O)OCCl	1980594002	QMVSSBJCSAXLDH-UHFFFAOYSA-N	249.658	-0.258	50	10	BBGE	
CCN=c1nc(C)c(C(=O)NN(C)C)c[nH]1	1980604041	BSOCPHXEMWUOJG-UHFFFAOYSA-N	223.280	-0.155	50	10	BBGE	
CCOCCCOc1ccc(B(O)O)cn1	1981431127	WAOJTVRMKUNNRQ-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
Cc1ncnc(N(C)C2CCC2)c1B(O)O	1981446286	WKNZRJABLFEARI-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CCOC[C@@H]2C1	1986813692	ADCJKUPNZNQGRP-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1C[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	1987754265	SYRTYELZPYALLE-JBDRJPRFSA-N	225.244	-0.062	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=NC[C@H]2C[C@H]2Cl)[nH]1	1991448029	DPSNMSGWXRPASF-PHDIDXHHSA-N	242.714	-0.189	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)C1(Cl)CCC1	1991680520	RBXXOVXQSJZIQV-RXMQYKEDSA-N	249.459	-0.810	50	10	BBGE	
CN1C[C@@H](CNC(=O)/C=C/C(=O)Cl)CC1=O	1991706962	VXKCETZXLGSJSS-TYWZFMJISA-N	244.678	-0.098	50	10	BBGE	
O=C(C[C@@H]1C[C@H]2C[C@H]2C1)NCC#CB(O)O	1992125161	OHYUDNIUOQMQNU-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@]12CCOC2)B(O)O	1992154364	XPLKLUIIFPHQDR-QWRGUYRKSA-N	225.097	-0.087	50	10	BBGE	
CC(C)=CCC(=O)N[C@@H](CB(O)O)C(=O)O	1993587693	MXWQMJRTJXJTQK-ZETCQYMHSA-N	229.041	-0.615	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C(=O)NN)C(C)C)o1	2004409054	FCIHRQSDIPYARA-SECBINFHSA-N	241.295	-0.176	50	10	BBGE	
CC[C@H]1CC[C@@H](C)N1c1ncc(B(O)O)cn1	2004911121	CTSFVTBYKSJXJO-SCZZXKLOSA-N	235.096	-0.076	50	10	BBGE	
Cc1cnc(O[C@@H]2COC[C@H]2C)c(B(O)O)c1	2004925834	WCYINKFESZUFFM-PSASIEDQSA-N	237.064	-0.516	50	10	BBGE	
Cc1ncnc(OC[C@H]2CCCO2)c1B(O)O	2004934126	CBMPOHJWBXENRZ-MRVPVSSYSA-N	238.052	-0.977	50	10	BBGE	
COC[C@H]1CCN(c2ncccc2B(O)O)C1	2004934524	GHGVTGAABZQQSQ-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2005116244	IEJBHSUWDDESGA-GZBOUJLJSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC2(CC(O)C2)C1	2005805132	DBGLQIORPIFLLN-GHHKWEBWSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C(=O)O)C(C)C	2006410461	KXYLRDAJFGBANR-VIFPVBQESA-N	245.279	-0.805	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC(F)(F)F	2007064713	MJXYDCNFWOYELM-UHFFFAOYSA-N	245.957	-0.932	50	10	BBGE	
CN(C)C(=O)NCCc1ccc(B(O)O)cc1	2008778962	CAKZGFYNPWIGDL-UHFFFAOYSA-N	236.080	-0.820	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cccc(C(=O)NN)n1	2011376195	XKWFBDCJIBDZRH-OIBJUYFYSA-N	236.275	-0.750	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCC(C)(C)C(=O)NN	2014278652	LQRRRKYBUBYSAE-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCC(=O)N(C)C1	2014819754	BCINGCIYQLAHIX-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C2(CC2)C(=O)N1	2014888112	IHVTXXSEDRNOAM-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C[C@H]1CF	2016765425	KACMAYCIPHWGMV-XVKPBYJWSA-N	237.039	-0.090	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@](C)(O)C1	2017238975	RQRHOJNDFOYLJT-GZMMTYOYSA-N	243.307	-0.754	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)no1	2020056310	JTCXVXHEGSNKKH-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC2(CCC2)CO1	2021106885	LBBGVZRZNUTLGQ-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(CO)C1	2021657734	XIMRPYIIPDJSHK-CKYFFXLPSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2022196145	HYUURIGRHXHONN-SECBINFHSA-N	233.076	-0.152	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2024087735	ZQUTTXYBJDSTRT-KATARQTJSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC[C@H]1C(N)=O	2028922738	QWGMMVNYPNQXFZ-UWVGGRQHSA-N	248.286	-0.723	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2CCN(C)C2)c(B(O)O)c1	2052625449	LYVJNNLXPQKHFT-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CCOc1cc(C#N)cc(B(O)O)c1[N+](=O)[O-]	2060212614	VDYGDTDYHFVLQX-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
COc1c(C#N)ccc([N+](=O)[O-])c1B(O)O	2060286879	GZSFXYXZKMQEOS-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
Cc1ccc(C#N)c([N+](=O)[O-])c1B(O)O	2060305999	XZOBJLKEMDOIDW-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
N#CCN(CC#N)CC1(C(=O)NN)CCC1	2212263019	ROFHGUJQNKIVCY-UHFFFAOYSA-N	221.264	-0.504	50	10	BBGE	
OB(O)c1ccnc(-n2cc(Cl)cn2)c1F	2212595484	OXIXVLVHJWHDAU-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
Cc1cnc(Sc2nc[nH]n2)cc1B(O)O	2212599507	JYLIWPRQCSGIPB-UHFFFAOYSA-N	236.065	-0.661	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C(C)C	2212601918	WBFFCMPBVSEUCL-JTQLQIEISA-N	218.065	-0.169	50	10	BBGE	
OB(O)c1cccnc1NCc1ncc[nH]1	2212602820	KGJKBROOHPQDKY-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCOC2)c1F	2212604578	QTUITMBWRWXFHP-ZCFIWIBFSA-N	226.016	-0.899	50	10	BBGE	
CC[C@H](N)CCOc1ccc(B(O)O)cn1	2212608900	MDMKLQNEBHMYCI-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
CO[C@H]1C[C@@H](COc2ncccc2B(O)O)C1	2216464589	YFLBVKCLKOILIE-DTORHVGOSA-N	237.064	-0.435	50	10	BBGE	
NNC(=O)C1(CN2CC(CF)C2)CCOCC1	2216880898	ALSOHGOFOLHBSM-UHFFFAOYSA-N	245.298	-0.326	50	10	BBGE	
Cc1cocc1CN=c1ncc(B(O)O)c[nH]1	2217171714	DKWRKUIOAZGRFH-UHFFFAOYSA-N	233.036	-0.908	50	10	BBGE	
CN(C)C(C)(C)CNc1ncccc1B(O)O	2217175475	JIZBROQFRLDWEJ-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
Cc1cnc(N2C[C@H](O)C2(C)C)cc1B(O)O	2217179563	MOHLUHQKYBCRPP-VIFPVBQESA-N	236.080	-0.971	50	10	BBGE	
Cc1cnc(NC2[C@@H]3COC[C@@H]23)cc1B(O)O	2217182006	XWORVIJKWZSKRG-HTQZYQBOSA-N	234.064	-0.873	50	10	BBGE	
CCC(F)(F)CCn1cc(B(O)O)cnc1=O	2217408728	JPIYQCNGXLFBRQ-UHFFFAOYSA-N	246.022	-0.642	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1CN	2220062594	MCZPPZXWIBKKPH-JQWIXIFHSA-N	248.135	-0.607	50	10	BBGE	
C#C[C@H](Nc1ncc(B(O)O)cn1)C1CCCC1	2223632401	JGPIZIXBUQXLPQ-NSHDSACASA-N	245.091	-0.240	50	10	BBGE	
OB(O)c1ccnc(NCC23COCC(C2)C3)c1	2223638790	ZHPULCZCXBKJSX-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(N2CC[C@@H](C)[C@H](N)C2)cc1B(O)O	2223651248	BGLKBTGMXPMGNX-LDYMZIIASA-N	249.123	-0.757	50	10	BBGE	
C[C@H]1C[C@H](CNc2cc(B(O)O)ccn2)CN1C	2223669174	GYQFZHUDURQIFE-VHSXEESVSA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CCCO[C@@H]12	2223669186	HBHCPJDZTZWHES-FXPVBKGRSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCC[C@@H](C2)OC3)c1	2223672304	FAKROQQRUXAIHG-JQWIXIFHSA-N	248.091	-0.115	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)[C@@H]1C[C@@H]1B(O)O	2241495826	MZQZMYNUQTVPTM-MROZADKFSA-N	204.969	-0.627	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)O	2242679242	SWNANIBXHRWJMC-NKWVEPMBSA-N	231.252	-0.918	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@H]2C1	2243357659	ZSFNNXXGVBYFTQ-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)ccc1C	2243367085	NMENMSNSHRVSKH-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2243382732	RCNYUCHSOZBMJO-IIZWTSTJSA-N	221.065	-0.284	50	10	BBGE	
CNC[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2243391202	HTVZVKLTAWIQME-AFPNSQJFSA-N	228.101	-0.789	50	10	BBGE	
CCN1CC(NC(=O)C2CC(B(O)O)C2)C1	2243391222	HZVGCAUSRHSNIZ-UHFFFAOYSA-N	226.085	-0.940	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CCO1	2243410345	ZUNZCTCCXBYRIA-YUMQZZPRSA-N	227.069	-0.323	50	10	BBGE	
C[C@H]1CN(C(=O)c2cscc2B(O)O)[C@H]1C	2243410378	AJRKTHPWMRISFQ-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)OC	2243427608	XZTPRWCNSXJOSF-HRDYMLBCSA-N	229.085	-0.219	50	10	BBGE	
C=CC(=O)Nc1ccc(F)c(F)c1B(O)O	2243662427	ANSQTSHSACHGKW-UHFFFAOYSA-N	226.975	-0.231	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C=CCOC1	2244128574	JYEAYMNOXKCVBH-QMMMGPOBSA-N	221.021	-0.905	50	10	BBGE	
C#CCN(OC)C(=O)c1cc(B(O)O)cs1	2244272626	UKROMYCUOYPQQM-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]1C1CC1	2247733055	LPKVPBQAKLXAIV-SECBINFHSA-N	235.048	-0.416	50	10	BBGE	
CCN(OC)C(=O)c1cccc(C)c1B(O)O	2247752002	GUKGBHTZUXXQFQ-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
O=C(NCCCN1CC=CC1)[C@@H]1C[C@H]1B(O)O	2247796859	DLTIRCQEHYGXBV-NXEZZACHSA-N	238.096	-0.773	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247809570	ZROOWVQVZHRSJB-AATLWQCWSA-N	243.112	-0.239	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)[C@H]1C	2247850267	MDOVXDXZRCJJPP-YUMQZZPRSA-N	236.080	-0.435	50	10	BBGE	
CC1(C)CC[C@](O)(CNC(=O)C#CB(O)O)C1	2247850323	MUNNSGAPAANVRX-LLVKDONJSA-N	239.080	-0.941	50	10	BBGE	
C#CCNC(=O)c1cc(B(O)O)cn1C(C)C	2247871688	GCIDJABSSMSLHC-UHFFFAOYSA-N	234.064	-0.888	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(C)c(B(O)O)c1	2247873015	CJADCKMQYKNSDH-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N1CCC[C@@H]2NCC[C@H]21)C1(B(O)O)CC1	2247875130	WFQOMWOWWXWKGW-DTWKUNHWSA-N	238.096	-0.654	50	10	BBGE	
O=C(Nc1ncccn1)c1cscc1B(O)O	2247876084	IMFOZJPWOQSGMZ-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(N1C[C@@H]2CCN[C@@H]2C1)C1(B(O)O)CCC1	2247878100	HRJLVDCXYFKXRP-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	2247892898	JJBLFDQVFVVYAE-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC([C@H]2CC2(F)F)C1	2247899605	ORGTVUUCLZTFBE-BWZBUEFSSA-N	245.034	-0.037	50	10	BBGE	
C=CCNC(=O)c1cc(F)c(B(O)O)cc1F	2247941780	KBTGJXKXDFCWPP-UHFFFAOYSA-N	241.002	-0.440	50	10	BBGE	
CC#CCC(=O)NCc1cccc(B(O)O)c1	2248445432	LZQHXJVAUSOCMR-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
O=C(O)C1=CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2248587000	KIKDUQBKBCNVRV-HTQZYQBOSA-N	239.036	-0.907	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)co2)C[C@@H]1C	2249419328	GAGUIRPMMXNXHI-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C1(C)CC1	2249427586	IMSQHVVNFMTCNT-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cocc1B(O)O	2249431567	VPJZYEZEIXOTEU-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
C[C@H]1C(CCN=c2ncc(B(O)O)c[nH]2)[C@@H]1C	2251079630	VKQJXNBEWQKWLD-HTQZYQBOSA-N	235.096	-0.718	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1nc(C)ccc1B(O)O	2255477512	AMXPJTQAOMPNRK-QMMMGPOBSA-N	248.091	-0.378	50	10	BBGE	
Nc1cccc(CCNC(=O)C2(B(O)O)CC2)c1	2255490098	DJKVDGDZGPPKOB-UHFFFAOYSA-N	248.091	-0.066	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC[C@H]2C[C@@H]21	2255508077	IFNJKRMKVRKPEF-WPRPVWTQSA-N	248.091	-0.671	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@H]2CC[C@H]1C2	2255552557	MVCUVHATIOCCML-SFYZADRCSA-N	249.079	-0.896	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1coc(B(O)O)c1	2255686168	MZYIGUWEIDNESQ-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cccc(B(O)O)c1C	2255726531	DYTLKQYAYMAHCV-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1cncc(B(O)O)c1	2255736488	OHGDQEIMTLIHMY-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
COC1CN(C(=O)c2ccc(C)cc2B(O)O)C1	2255736678	RPVJAVHFOYUBBT-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C#CC[C@H](C)NC(=O)Nc1ccccc1B(O)O	2255917521	LKIJRMQYVCJDRG-VIFPVBQESA-N	246.075	-0.100	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C=C[C@@H]1C2	2298224646	VHGLHIHDHCSYPR-NXEZZACHSA-N	230.076	-0.084	50	10	BBGE	
C[C@@]1(CO)C=CCCN1C[C@@H]1C[C@H]1C(=O)NN	2298240628	IJJGIXPXMYAHLO-UMNHJUIQSA-N	239.319	-0.375	50	10	BBGE	
C[C@H]1CN(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368623	PKDMVVFJIHJYLQ-AEJSXWLSSA-N	240.112	-0.741	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298368889	BDQUTSZOXVLRAN-QEYWKRMJSA-N	240.112	-0.552	50	10	BBGE	
CCC[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C	2298369408	UBYBSVPIHGPHDK-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2[C@@H](C1)C2(F)F	2298369480	VZEAKQXKILQCFJ-RULNZFCNSA-N	245.034	-0.037	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298370191	RGEWFOLMHAAREX-LOLPMWEVSA-N	238.096	-0.894	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)C1(B(O)O)CC1	2298375444	KIAHADXFDVEIHH-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298376216	NIBSGWZGZUBGSY-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O)[C@@H]1C[C@H]1B(O)O	2298377488	SJMDQJHFLPVMBY-HQBQHRAMSA-N	239.080	-0.875	50	10	BBGE	
C[C@@H](COc1ccc(C(N)=O)cc1)C(=O)NN	2301610059	ANFDYLUCGDHBDR-ZETCQYMHSA-N	237.259	-0.210	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN[C@H]2CCC[C@H]21	2302889828	OEHFROQZOXGDMW-XFWSIPNHSA-N	238.096	-0.798	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C2CCOCC2)C1	2303101962	PDFCYZJZDYOHGJ-NSHDSACASA-N	241.096	-0.122	50	10	BBGE	
COCC(CCN1CC[C@@H](B(O)O)C1)COC	2303153389	CRNDOKGQBMPWCP-LLVKDONJSA-N	245.128	-0.166	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N[C@@H]2CCOC2)C1	2303167212	LZLGVYUUBFVCNO-PSASIEDQSA-N	242.084	-0.576	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@H](C)[C@H]1C	2304213639	SLCAMZFGOSXHIC-MRTMQBJTSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306282834	HBUDYKUTCBQIIW-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
CC12CC(C1)[C@@H](Nc1cc(B(O)O)ccn1)CO2	2315943757	QGTOWVKUSPDGGC-BSTRBVHOSA-N	248.091	-0.259	50	10	BBGE	
CC=C(C)C(=O)NCCc1ccccc1B(O)O	2317663057	VCZRPASIEUPRKZ-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCCO1	18058344	DAUSWOVXMOMPJL-OCAPTIKFSA-N	228.248	-0.508	50	10	BBGE	
CN(Cc1cccc(F)c1)C(=O)C(=O)NN	36948130	OWXZTNCLCOJUJQ-UHFFFAOYSA-N	225.223	-0.226	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	82468627	MFRJTFUITYOVPT-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCN(C)CC1	86313341	ZUEULPMNFUFAPN-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnn(C)c1	110593849	DRBHOYOUXQHPBE-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCN2C(=O)CC[C@H]2C1	168762285	GBBSCJBJHXQNCF-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H]1CNC(=O)C1	171325614	SSGSJOUVCSWQQR-QMMMGPOBSA-N	241.291	-0.294	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)C(F)(F)F	185987154	ZFCNJEWQZKEKQN-SCSAIBSYSA-N	223.154	-0.099	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1CCCC(=O)NN	216472379	NKZVINZIQKLVAX-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCNCCN1CCNC1=C(C#N)C#N	220713081	WASQRHILQLFIRX-UHFFFAOYSA-N	205.265	-0.240	50	10	BBGE	
O=C1NCCN1S(=O)(=O)CCCl	232296230	UTNJGUBUYWLGID-UHFFFAOYSA-N	212.658	-0.420	50	10	BBGE	
COC[C@@H](Sc1ncc[nH]1)C(=O)NN	234709101	JQIPJEJYWZUFFJ-RXMQYKEDSA-N	216.266	-0.493	50	10	BBGE	
O=C(OCCCl)N1CCN(CCO)CC1	244309051	XCGRKDXMJINWNH-UHFFFAOYSA-N	236.699	-0.028	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CC[C@H]1N	251553779	BFMAMQYSWRCJPH-VHSXEESVSA-N	242.323	-0.787	50	10	BBGE	
CNC(=O)CS[C@H](C)CC(=O)NN	300786833	GQQAEXBKVCZEHD-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@@H]3C2)cc1	306672058	ZVIPPPHTUHTCBK-GHMZBOCLSA-N	217.077	-0.182	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H]2CC[C@H](Br)C[C@H]2N1	307290360	BLOCXHZSHVLLGS-FJDLHZNMSA-N	248.124	-0.120	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)[C@@H](C)O	307646557	BMDFQPKFHSDVLS-CRCLSJGQSA-N	201.675	-0.129	50	10	BBGE	
Cn1nnc(Br)c1C=NNC(N)=O	308144641	XALCXWRHFVGRGD-UHFFFAOYSA-N	247.056	-0.420	50	10	BBGE	
C[C@H](CN1CC[C@](C)(CO)C1)C(=O)NN	381337160	DFNOJLUZQMYOBZ-SCZZXKLOSA-N	215.297	-0.683	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	381638091	OSGLEJHPHIWCBB-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CCCC(=O)NN	384859173	IKZGDKURZMBXIH-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)co2)C[C@@H]1O	388716812	ZFQSQVAIMOISHF-XCBNKYQSSA-N	239.275	-0.304	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1COc2ccccc2C1	393279870	MGMIHCQUZLFBTC-MRVPVSSYSA-N	235.243	-0.904	50	10	BBGE	
O=C(O)CCc1ccc(C(=O)O)cc1B(O)O	396131340	DBFGHWSEXOCYPT-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
N#CCCc1c(/C=C/C(=O)O)cccc1B(O)O	396142223	PRDMFJMUEWTQSI-VOTSOKGWSA-N	245.043	-0.080	50	10	BBGE	
Nc1c(B(O)O)cc2sccc2c1C(=O)O	396241461	MAFWVUKLRXZUCE-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cccc2c(B(O)O)c(C(=O)O)sc12	396247736	PWHNFTRUCJDACF-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc(B(O)O)c2sccc2c1C(=O)O	396250604	WZWGATJXMGPSIC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1ccc2sc(B(O)O)c(CO)c2c1	396341979	UTFQXXIYFPMMPR-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C(=O)NN	398735532	DJHBDUMWWXOYTH-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
NC(=S)NNC(=O)CC[C@H]1CCOC1	401439090	LEDVFVQXPCCFDG-LURJTMIESA-N	217.294	-0.333	50	10	BBGE	
C[C@@H]1C[C@H](N(C)Cc2ccc(B(O)O)cc2)CO1	401459268	ITZXJXLUIUEQHG-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
CNC(=O)c1cccnc1N1CC[C@H](B(O)O)C1	585073477	LTUOKDLQHPZUOC-QMMMGPOBSA-N	249.079	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC(F)CC2)O1	689093735	YMAVJRZPSYKUBR-UWVGGRQHSA-N	245.298	-0.042	50	10	BBGE	
COCCN(CCO)[C@H](CC(C)C)C(=O)NN	695063213	SWWFOGGUJCDJEX-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
CNCCCN(C)[C@H](CC(C)C)C(=O)NN	695101688	OMCVLZQYGPIDMF-SNVBAGLBSA-N	230.356	-0.068	50	10	BBGE	
CNC(=O)CN(C)[C@H](CC(C)C)C(=O)NN	695103236	VEWLFBRALTYQIV-MRVPVSSYSA-N	230.312	-0.931	50	10	BBGE	
COC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	696537367	QLCRZOAYLDWTNY-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CCOC[C@@H]1CCCN1CC(=O)NN	696569713	FRVXHRSYRWCDEV-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CN1CCN(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	703425990	UGUMGUSGJVFOPI-IUCAKERBSA-N	239.275	-0.935	50	10	BBGE	
CNNC(=O)c1ccc(OCC(N)=O)cc1	704669971	PKAPBOQJNOISNI-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
CCOCOc1c(F)cccc1B(O)O	707072850	LCXIXIQEAYVCOQ-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
O=S(=O)(CCCCCl)Nc1nn[nH]n1	709813510	FTVHDAKUYCQWTN-UHFFFAOYSA-N	239.688	-0.040	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CSC[C@H]2C1	711525637	NEQIRIZZUKRNTR-HTQZYQBOSA-N	215.322	-0.339	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@H]3C2=O)O1	715704677	ULSJQWOXKFRLFB-KDXUFGMBSA-N	239.275	-0.998	50	10	BBGE	
CCCC(=O)NCC(=O)NNc1ccncn1	857520768	MYAVJNSVRNBCJD-UHFFFAOYSA-N	237.263	-0.164	50	10	BBGE	
CN1[C@H](CNC(=O)CCl)CCS1(=O)=O	888082416	BXLFZKUPXIIXFU-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
CN(NC(=O)[C@@H](O)C(C)(C)O)c1ccccn1	913000034	BQSFVLJZYNFORJ-SECBINFHSA-N	239.275	-0.319	50	10	BBGE	
O=S(=O)(CCCl)NCC1OCCO1	1253560318	OTJZHWBCCCBMJZ-UHFFFAOYSA-N	229.685	-0.483	50	10	BBGE	
O=C(NNc1ncncc1F)[C@@H]1C[C@H]1[N+](=O)[O-]	1556799003	WEEJRRNXFHNLQQ-INEUFUBQSA-N	241.182	-0.276	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(O)CCSC1	1568942374	QGWLUVPJRFQGLE-VIFPVBQESA-N	234.321	-0.536	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1ccon1	1570440820	RKCQLPUZVYKREQ-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C)c(C#N)cn1	1630972440	MPUCEWLWDKZVJP-UHFFFAOYSA-N	233.231	-0.165	50	10	BBGE	
Cc1nn(C)cc1CCC(=O)NNc1nc[nH]n1	1641624140	OOUVISOIZSJAEU-UHFFFAOYSA-N	249.278	-0.077	50	10	BBGE	
CCCN(C)CC(=O)NNC(=O)c1ncon1	1645910047	GBBNYIYGAIPFDU-UHFFFAOYSA-N	241.251	-0.828	50	10	BBGE	
Cn1[nH]cnc1=NC(=O)[C@@H]1C[C@@H]1Br	1877410095	NJYQQHDYFAFITE-UHNVWZDZSA-N	245.080	-0.041	50	10	BBGE	
Cc1nc(SC2CC2)ncc1B(O)O	1885052318	JLAZUFZJBIVLFK-UHFFFAOYSA-N	210.067	-0.281	50	10	BBGE	
NNC(=O)NC1(C(F)F)CCOCC1	1885390662	AUJAEJMORPSMGP-UHFFFAOYSA-N	209.196	-0.026	50	10	BBGE	
CP(C)(=O)[C@H]1CCN(CC(=O)NN)C1	1885639972	YBWWNURCIDTLPS-ZETCQYMHSA-N	219.225	-0.327	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1	1887071815	KCMZTAYBOLSEOC-LYFYHCNISA-N	237.708	-0.131	50	10	BBGE	
N[C@@H]1C[C@H]2CN(C(=O)F)CCN2C1=O	1887186912	UIBDSVUSKMWYLV-NTSWFWBYSA-N	201.201	-0.680	50	10	BBGE	
COCC(=O)NN(C)S(=O)(=O)C(C)C	1888599452	XTWAXQGGKBIKQC-UHFFFAOYSA-N	224.282	-0.666	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)C1CC(Cl)C1	1893474625	LBNMCOXIRUAKHA-LFHVAVFRSA-N	221.684	-0.138	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(CNC2)C1	1893498563	VSHOPRUQLNCNEE-OWOJBTEDSA-N	214.652	-0.260	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CC[S@](C)=O	1901757418	QUVZSTJANFHTNV-FVMDXXJSSA-N	249.380	-0.155	50	10	BBGE	
O=C(CN1CC[C@@H](B(O)O)C1)NCC1CC1	1902517019	WHGMEBVXRDTKJB-SECBINFHSA-N	226.085	-0.939	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CC[C@H]1C(=O)O	1905480904	LGHCQDIZZJDXKS-RITPCOANSA-N	201.226	-0.375	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907250385	VYUCPZLDYJNJBX-MFDAYCCISA-N	241.335	-0.154	50	10	BBGE	
CN(CCCCC(=O)NN)S(C)(=O)=O	1913514586	QDIXHFJQVRDNSF-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(C1)CC2(F)F	1914522340	TWOJRCCMCXACDN-RXMQYKEDSA-N	205.208	-0.294	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1CC(O)C1	1914573511	IXUSEWPBZORGSQ-HACHORDNSA-N	215.297	-0.400	50	10	BBGE	
O=S(=O)(CCCl)N(CCO)C1COC1	1915694468	GYBZBAZGSSJCRC-UHFFFAOYSA-N	243.712	-0.752	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N1CCOCC1	1923410630	UGFOOYFGKWRARX-UHFFFAOYSA-N	241.169	-0.378	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1CC1(F)F	1928496100	VXGFTPJUFSUNPQ-IUYQGCFVSA-N	207.180	-0.864	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)CCN)CC1	1928977292	WHYCRCBTLCJDKY-VIFPVBQESA-N	213.281	-0.953	50	10	BBGE	
C[C@@]12C[C@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1932248709	MFUPYQRWTKPNDY-CKEKPRIKSA-N	209.293	-0.046	50	10	BBGE	
CO[C@H]1CN(S(C)(=O)=O)CC[C@H]1N=C=O	1932343594	OXZBBPJTLFQACX-SFYZADRCSA-N	234.277	-0.629	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1OCCC1(C)C	1933516391	MKSZGYUVJALJPQ-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@H]1C[C@@H]1C(=O)NN	1936087094	YGVYXNQMBMDJCW-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936092876	YGVYXNQMBMDJCW-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CCN1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941093138	FKUGBFVEFBDTDU-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCn2nccc2C1	1941177940	KIJYYLJRTNFNMQ-DTWKUNHWSA-N	237.307	-0.287	50	10	BBGE	
C=C1CON(Cc2cncc(C(=O)NN)c2)C1	1944610814	HRQIYFYAIZEGED-UHFFFAOYSA-N	234.259	-0.012	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1946257930	UWCFLKDHVBZRII-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)[C@H](C)N=C=O	1951454857	PTJVOBRGOJOGME-XPUUQOCRSA-N	234.277	-0.740	50	10	BBGE	
CC1(C)[C@H]([C@H](N)[C@@H](O)C#N)CCS1(=O)=O	1953053481	WAHLKUHNTSCRPS-FXQIFTODSA-N	232.305	-0.589	50	10	BBGE	
O=C(CCCl)NCc1nc(=O)o[nH]1	1954101349	PJXSQTUIHPLATA-UHFFFAOYSA-N	205.601	-0.392	50	10	BBGE	
CON([C@@H]1CCOC1)[C@H](C)C(=O)NN	1956249959	BPLWVSNLDNUDFG-RNFRBKRXSA-N	203.242	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H]2C[C@@H]21	1961508244	IALFJZJOHVCVKD-JBDRJPRFSA-N	213.281	-0.526	50	10	BBGE	
OB(O)c1cnc(N2CCCO2)c(F)c1	1961717461	AUDVMSPVKPTGOI-UHFFFAOYSA-N	211.989	-0.958	50	10	BBGE	
OC[C@H](O)CN1CCCN(CCCl)CC1	1975010070	NHTYXNSIBAVDOM-SNVBAGLBSA-N	236.743	-0.414	50	10	BBGE	
C[C@H](CCCl)CCN(CC(N)=O)CC(N)=O	1978819959	KAHIPERQQTXFJT-MRVPVSSYSA-N	249.742	-0.086	50	10	BBGE	
Cc1ncnc(S[C@H]2CCOC2)c1B(O)O	1981451280	ULNDQWNUNJIUCZ-ZETCQYMHSA-N	240.093	-0.654	50	10	BBGE	
Cc1cnn(-c2nc(C)ccc2B(O)O)c1	1981454151	DTANCDYOEIVWHX-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC[C@H](O)C1	1984127591	AZPSZZDJNHIRND-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
CC=CCCCn1cc(B(O)O)ccc1=O	1984588884	IPAIPDAZEZMGIK-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
Cc1cc(CN(C)CCC(=O)NN)nn1C	1986082549	MSTHXFNACHHYJC-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
CCCCOCn1cccc(B(O)O)c1=O	1987442541	ZQNARWMXXQZORW-UHFFFAOYSA-N	225.053	-0.698	50	10	BBGE	
CNC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1Cl	1991679665	LYKJKYAQYPPUQA-PRJMDXOYSA-N	245.710	-0.840	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)C(=O)/C=C/C(=O)Cl	1991703171	DIIFFMSZZDXVAN-WTSVBCDHSA-N	248.710	-0.311	50	10	BBGE	
CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)/C=C/C(=O)Cl	1991713023	NTCNJQMNWLQZPK-QELXSFOTSA-N	246.694	-0.071	50	10	BBGE	
NCCc1nnc(NC(=O)C=CC(=O)Cl)o1	1994103995	LFQHPKYNBJBOTM-UHFFFAOYSA-N	244.638	-0.169	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC12CC(CO)C2	1997987884	QPOOABRUKSUZQD-YZRBJQDESA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN1[C@H](CO)C[C@H]2CCC[C@H]21)C(=O)NN	2000717346	PWSGWZMWLIJTEY-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCN1Cc2ccc(CO)cc2C1	2002321763	SAJQXWDIFABRMB-UHFFFAOYSA-N	235.287	-0.126	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(OC)CCC1	2002549960	YBBKXHKHUONARY-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CCCCN1CC(=O)N[C@@H]2CC[C@H]21	2002915441	RYERGSIOWBLIPJ-RKDXNWHRSA-N	240.307	-0.891	50	10	BBGE	
Cc1nc2n(n1)CCN([C@H](C)CC(=O)NN)C2	2003931486	ULTXVFVJRGBFNY-SSDOTTSWSA-N	238.295	-0.829	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C)(C#N)CC1	2004358092	GLUPHWDMCNKKQC-SECBINFHSA-N	240.307	-0.383	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(c2ncncc2B(O)O)C1	2004921006	QEHHXNKWIWVRRD-DTORHVGOSA-N	235.096	-0.361	50	10	BBGE	
N#Cc1nccn1Cc1cnsc1C(=O)NN	2005398913	KALGHJNHIBKPOW-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1ccoc1C(=O)NN	2011155814	ORHMGUWHWLSSAI-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C1CC1	2014002681	VTJAZTYGWPRUDT-MXWKQRLJSA-N	241.335	-0.154	50	10	BBGE	
CC(C)n1ncnc1CN(C)[C@H](C)C(=O)NN	2019560997	HDYWVMLWKLFAOK-MRVPVSSYSA-N	240.311	-0.331	50	10	BBGE	
Cn1cncc1C(=O)N[C@@H]1CCC=C1B(O)O	2020061979	MPTVHVONEWZEIO-MRVPVSSYSA-N	235.052	-0.749	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)c(O)c1	2020063668	YLGCZNTZLQYPNI-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(CCCO2)C1	2021157869	SIBONHVTRFNMGA-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
C[C@@H]1O[C@@]2(C(=O)NCC=CB(O)O)CC[C@H]1C2	2021896490	NWDKTNBNDNCILI-QXEWZRGKSA-N	239.080	-0.372	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	2022070732	MSTIRHDJULTXTP-DLOVCJGASA-N	241.335	-0.008	50	10	BBGE	
CCc1cc(C=O)c(C#N)c(B(O)O)c1	2060238303	GGQGYJQWKHDBQN-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@H]32)nc1	2066310406	RVUXNXSBPZRFKD-GXSJLCMTSA-N	248.286	-0.484	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1C[C@@H](O)C1	2209400722	PYBVYCPZNSTBHA-OCAPTIKFSA-N	201.270	-0.788	50	10	BBGE	
COC[C@H](CF)Nc1ncccc1B(O)O	2212600491	CZQFBTXANNADLX-ZETCQYMHSA-N	228.032	-0.842	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1ncccc1B(O)O	2212601034	HRSWMDKXOHWTPO-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
CCOCCNc1nccc(B(O)O)c1F	2212604198	NCEKCEWCXFZDAJ-UHFFFAOYSA-N	228.032	-0.651	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1ncccc1B(O)O	2212604245	NNGBZZIAHGUHGZ-JGVFFNPUSA-N	224.069	-0.734	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H](O)C2)cc1B(O)O	2212605908	LSVKIOTWSFBATE-ZKCHVHJHSA-N	222.053	-0.995	50	10	BBGE	
NC1(COc2ncccc2B(O)O)CCC1	2212606322	RWJQXORJJBSOSN-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
OB(O)c1ccnc(OC2C[C@@H]3C[C@H]3C2)c1	2212606373	SNANEFOZVPOPNV-YUMQZZPRSA-N	219.049	-0.061	50	10	BBGE	
CO[C@H]1CC[C@@H]1Cn1nc(C)c(B(O)O)c1C	2215113451	MFYPIMUYLKALLG-ZJUUUORDSA-N	238.096	-0.395	50	10	BBGE	
CCn1ccn(C[C@H]2CC[C@H]2C(=O)NN)c1=O	2215771602	IXRBCCSLBRCBGO-RKDXNWHRSA-N	238.291	-0.314	50	10	BBGE	
CN(C[C@@H]1CCN1C)C[C@@H]1CC[C@H]1C(=O)NN	2215774951	FPCLLNUVXNGLTC-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@H]1CC[C@@H]1C(=O)NN	2215776239	LPNFSDVWNXEEAZ-YTWAJWBKSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COC[C@@H]32)CCCC1	2216881846	QBTJYWARXDPZFP-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncccc2B(O)O)[C@@H](C)O1	2217174253	XYIKNBQWWDYHIM-NQMVMOMDSA-N	236.080	-0.261	50	10	BBGE	
N[C@@H]1CCC[C@H](Oc2ccc(B(O)O)cn2)C1	2217178677	AFIZSSIFUFEICR-ZJUUUORDSA-N	236.080	-0.590	50	10	BBGE	
NC[C@H]1C[C@@H](Oc2nccc(B(O)O)c2F)C1	2217185779	BGAGRUZTWFCHHL-KNVOCYPGSA-N	240.043	-0.983	50	10	BBGE	
CC(C)C[C@H](O)CNc1cc(B(O)O)ccn1	2217196336	QUKUODMVNIUOPW-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)cnc2=O)C1	2217409818	XIUUDOJYLFGJAA-IUCAKERBSA-N	236.080	-0.641	50	10	BBGE	
C[C@@H]1CC[C@H]1Cn1cnc2c(B(O)O)ncnc21	2220715277	LLXWNXYAOOWHLX-SFYZADRCSA-N	246.079	-0.448	50	10	BBGE	
N[C@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)CC1	2223635569	YRQLETSAEWSMDK-JGZJWPJOSA-N	249.123	-0.309	50	10	BBGE	
CCCN1CCN(c2cc(B(O)O)ccn2)CC1	2223647541	YMFDBSCRYVVZNE-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ccn(C)n1	2223651151	ARALGUDJKRCWHD-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(NCc2ncccc2O)nc1	2223653362	QHZHXFIXUYMCAA-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CN3CCC2CC3)c1	2223668189	XJUKYCVICBOLCI-NSHDSACASA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2C[C@H]2CO1	2223671937	BZYFOVBRQNOIHN-GUBZILKMSA-N	248.091	-0.402	50	10	BBGE	
NC(=O)c1cc(B(O)O)c(F)cc1Cl	2241741058	IBKOSOAWCQLTQL-UHFFFAOYSA-N	217.392	-0.742	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)CC(F)(F)F	2243356216	DCYHWHVRNGTGCB-ZCFIWIBFSA-N	236.986	-0.294	50	10	BBGE	
CN(CC1CC1)C(=O)c1occc1B(O)O	2243359746	XAPXSKRPWFNWJK-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)C1(B(O)O)CC1	2243366016	WDQAOALOGFAIJM-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@H](O)C1	2243382398	NWYODBLWFJRNRN-YIZRAAEISA-N	227.069	-0.777	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(B(O)O)cs1	2243385997	SCMJWLOFQFRDLK-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)[C@H]1C[C@H](B(O)O)C1	2243391748	NVJXLCXORIOWIQ-FNCVBFRFSA-N	229.060	-0.039	50	10	BBGE	
COCCC(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243395891	DODCDFHGZVBERV-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
N=c1[nH]c(CNC(=O)[C@H]2C[C@H]2B(O)O)cs1	2243397005	UFONZIYNIIEWBE-NTSWFWBYSA-N	241.081	-0.965	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)C#CB(O)O	2243400299	YUWXDKFTMSHJBO-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2CCC[C@H]1C2	2243400335	ZKWKLTKCUIGHFK-LPEHRKFASA-N	221.065	-0.303	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243405064	YXHAOUZTYSMLMQ-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
C=C(C)CONC(=O)c1cc(B(O)O)sn1	2243415172	PRBUSRFMSYNLJX-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CN(C)[C@H](C)C(=O)NN	2243837859	MIGCMEQMLPPIKS-KKZNHRDASA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnc(SCC2COC2)c(F)c1	2244516991	SLHPFOYTXGALJD-UHFFFAOYSA-N	243.068	-0.361	50	10	BBGE	
COc1nn(C)cc1[C@H]1C(=O)NC(=O)[C@H]1Cl	2244592156	SRZRAAYTWNILNG-RITPCOANSA-N	243.650	-0.224	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@@H]2C1)C1(B(O)O)CC1	2247757617	QVKBYXJMVHDMTF-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
O=C(N[C@@H]1CNCC12CC2)[C@H]1C[C@@H](B(O)O)C1	2247786925	IPWMUAMHUUUVDZ-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247789942	CZBJCNMSPRJWGV-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
N[C@@H]1[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247790871	KDKNOIGZLVRQID-SRQGCSHVSA-N	238.096	-0.813	50	10	BBGE	
Cc1ccnc(C(=O)NCCCF)c1B(O)O	2247790957	ILGXSSYPVJZGKK-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCNC1	2247804047	DUZPOPKREKGMKP-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2C[C@@]2(O)C1	2247807408	RAQMYCJKGQCQFZ-FTYOSLGDSA-N	239.080	-0.777	50	10	BBGE	
CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2247809902	SHRBAUKANVSSHE-VGMNWLOBSA-N	240.112	-0.552	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1(CO)CCCCC1	2247846409	GHWIBHXJDGNIFZ-UHFFFAOYSA-N	239.080	-0.845	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247850520	PGSHQVAJWSIZSL-SECBINFHSA-N	234.064	-0.611	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1CN	2247870210	GKAKQIOVIBMLEH-RKDXNWHRSA-N	240.112	-0.563	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2247891765	NMZCJLHTIHWVBO-SEZDTBSWSA-N	241.096	-0.389	50	10	BBGE	
CCO[C@@H]1C=CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247900399	WMBQXMJAPJWWNM-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1O)C1CC1	2247960944	AXDINKGBKBAHEU-UHFFFAOYSA-N	235.048	-0.694	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1O	2247962032	KKPLXMOTGYIZSG-IMTBSYHQSA-N	235.048	-0.790	50	10	BBGE	
O=C(CCc1ccncc1)NCC=CB(O)O	2248429910	RVRZQGQVDSNLHD-UHFFFAOYSA-N	234.064	-0.301	50	10	BBGE	
CCCN(O)C(=O)c1ncc(B(O)O)cc1C	2248967576	AEDNSMCMUUEMLH-UHFFFAOYSA-N	238.052	-0.689	50	10	BBGE	
CC12CC(CN1C(=O)c1cocc1B(O)O)C2	2249429514	WEOACGZXBPHMPZ-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C[C@@H]1C(CCN=c2ncc(B(O)O)c[nH]2)[C@H]1C	2251079632	VKQJXNBEWQKWLD-YUMQZZPRSA-N	235.096	-0.718	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1ccoc1B(O)O	2255474773	UOWZNKGWKMLHNW-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccoc1CNC(=O)c1occc1B(O)O	2255489715	XPIZMXFSMCZNAD-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2C=C[C@H]1C2	2255493675	BRZMDPMJTMRLJB-WPRPVWTQSA-N	246.075	-0.895	50	10	BBGE	
CCc1ncncc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2255563940	LFUGWDLOHSAPMC-BDAKNGLRSA-N	249.079	-0.482	50	10	BBGE	
Cc1ccc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)nc1	2255564881	RTDNTCLZAXHGQV-MNOVXSKESA-N	248.091	-0.088	50	10	BBGE	
Cc1cc(=NC(=O)c2ccc(B(O)O)o2)cc[nH]1	2255673696	RZPDDMBSBJCTCN-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
Cn1nccc1[C@H]1CCCN1C(=O)C#CB(O)O	2255674603	NPGMJBRRIOSFJI-SNVBAGLBSA-N	247.063	-0.901	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]1CC1CC1	2255693379	ZUJVWEVKGZANDP-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1ccoc1B(O)O	2255715122	AVQRHGWKNNIDJR-WCBMZHEXSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C[C@@H]1CC[C@H]1C(=O)NN	2298166001	LYELXMVYIIMXBE-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
CC1(C)COCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368698	SQEJQHNDUIRXKS-HRDYMLBCSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298376116	IWVWNKQFQFYLSI-QEYWKRMJSA-N	240.112	-0.646	50	10	BBGE	
C#CCN(CC)c1ccc(C=O)c(B(O)O)c1	2301420291	CTETZMAHNYCNMY-UHFFFAOYSA-N	231.060	-0.362	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CCCC(=O)NN)C[C@H]1O	2302049551	IEWSELTVTXFIKK-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@@H]2N(C)C	2302403841	QFIAKUJROLPHPH-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
CO[C@@H]1CC(N2CC[C@H](B(O)O)C2)C[C@H]1OC	2303097430	BBKZULSDCVNDRN-JMJZKYOTSA-N	243.112	-0.273	50	10	BBGE	
OC[C@@H]1CC[C@H](CN2CC[C@@H](B(O)O)C2)OC1	2303163183	ZAFWQJGUGJLOSE-HBNTYKKESA-N	243.112	-0.677	50	10	BBGE	
CC[C@](C)(CN(CC(N)=O)C(C)C)C(=O)NN	2303424046	MPXAXYNRWMOSGJ-LLVKDONJSA-N	244.339	-0.412	50	10	BBGE	
CC[C@](C)(CN1CCN2CC[C@H]1C2)C(=O)NN	2303427485	YVOIOCOUYIDTJG-CMPLNLGQSA-N	240.351	-0.218	50	10	BBGE	
CC[C@@](C)(O)CNc1cc(B(O)O)c(F)cn1	2303834639	JIKBAZFJPQCYOL-SNVBAGLBSA-N	242.059	-0.527	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)C[C@@H]1C(C)C	2304254601	YVQMCCSTLOHFHD-VHSXEESVSA-N	243.307	-0.755	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1B(O)O	2312612326	QOVYIUSRWWCKFW-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2312848150	PMUJZAJVFXNWBO-JBDRJPRFSA-N	247.059	-0.560	50	10	BBGE	
NC[C@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317349775	IVUYVMKLFJYZIJ-DKTWLAJQSA-N	248.091	-0.672	50	10	BBGE	
NC(=O)N(CCCN(N=O)C(N)=O)N=O	5113378	ITHVCVBHACZDEY-UHFFFAOYSA-N	218.173	-0.499	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(CO)CC1	82465793	AGPWHYBDLNWSOG-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1nccc(=O)[nH]1	86313943	ZKDGJPAVFDHOSX-PHDIDXHHSA-N	242.304	-0.124	50	10	BBGE	
CCN(C)Cc1ccc(F)c(B(O)O)c1	203190944	SFKSHUTZKWESDW-UHFFFAOYSA-N	211.045	-0.043	50	10	BBGE	
CCC[C@H](Sc1nncn1N)C(=O)NN	211754993	HSSSJPLUIIHGJM-YFKPBYRVSA-N	230.297	-0.757	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](O)C1	212113206	IZOCKYFTVZEWPW-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1CS(=O)(=O)CCN1C(=O)CCl	218358915	OGNZDSOCHVALGQ-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)Cc1ccccc1B(O)O	226582558	FDQZGUYKFICONP-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
CN(C)S(=O)(=O)CCNC(=O)CCCl	230991477	KWVHEIFVQQFHNR-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@H]1CN	250752653	GGPSKQOMOBKWBO-VHSXEESVSA-N	242.323	-0.787	50	10	BBGE	
CC(C)=CC(=O)NNC(=O)[C@H]1COCCO1	266720925	UVBHDJXAVPJZNT-MRVPVSSYSA-N	228.248	-0.485	50	10	BBGE	
NNC(=O)CCN1CC[C@@](O)(C(F)(F)F)C1	304520812	FIFYUJFAEBMHSO-ZETCQYMHSA-N	241.213	-0.635	50	10	BBGE	
Nc1cc(O)c(B(O)O)c2sccc12	306646077	ARJZSSRLPWXTFB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC(=O)c1cnc2c(B(O)O)cn(C)c2c1	382638876	KEGVKSXMQHGFBK-UHFFFAOYSA-N	234.020	-0.960	50	10	BBGE	
NNC(=O)c1coc(Cn2ccsc2=O)n1	386791434	MZMALQMZLBCLOQ-UHFFFAOYSA-N	240.244	-0.450	50	10	BBGE	
O=C(N[C@]1(CCl)CCOC1)[C@H]1COCCO1	393920657	RSZRJGPASLJYIH-SCZZXKLOSA-N	249.694	-0.084	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCS(=O)CC1	395709491	MZAVOTPUFFVLRO-QMMMGPOBSA-N	247.364	-0.545	50	10	BBGE	
O=CCCc1cc(CC(=O)O)ccc1B(O)O	396131748	FXMNSADLUGYASR-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CC1	396440957	FEGTYLCDXJBLPV-QWRGUYRKSA-N	221.065	-0.863	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](CO)C[C@@H](C)C1	398815839	MDORLQPSEKOIEK-ZNSHCXBVSA-N	243.351	-0.049	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(CCF)CC1	402795843	VAIJQQAAELJAOR-VHSXEESVSA-N	246.330	-0.412	50	10	BBGE	
C[S@@](=O)Nc1cc(Cl)ccc1B(O)O	404807686	AVNHYAZDEWLPQK-CQSZACIVSA-N	233.485	-0.275	50	10	BBGE	
OB(O)c1ncccc1-c1cccc(O)n1	514278498	LXIGGWZIHSJJAT-UHFFFAOYSA-N	216.005	-0.471	50	10	BBGE	
OCc1cc(B(O)O)cc(S)c1F	575705790	NNIUAHKVADASJS-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](C)[C@H](O)C2	686194484	ZRKCGPYNOGXVBH-NZHYYXIDSA-N	241.335	-0.011	50	10	BBGE	
C=C(NNC(=O)c1cnn(C)c1N)OCC	691404696	QGJIELMBMNQWMK-UHFFFAOYSA-N	225.252	-0.256	50	10	BBGE	
C[C@@](N)(C(=O)N1CCC(O)(C#N)CC1)C1CC1	692125492	UBYUKCAAPJITOU-NSHDSACASA-N	237.303	-0.009	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1n1cc(B(O)O)cn1	694545010	VBHYYLLRMYVIKC-DTWKUNHWSA-N	210.042	-0.697	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl	696833510	YXEPNWANBYVEFX-NTSWFWBYSA-N	241.696	-0.847	50	10	BBGE	
CCC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	698424470	GIBFQGYUOGFLPT-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1COCCO1	703439748	QCJVUXSOICAZFM-IWSPIJDZSA-N	241.243	-0.682	50	10	BBGE	
CCC(O)(CC)CN(C)CC(=O)NN	706399121	USDLCEHOXKDGSS-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@H](C)C(=O)NN	710920005	SXBHYMXGFGJLSZ-PRJMDXOYSA-N	201.270	-0.669	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC12CCN(CC1)C2	715564807	JNSYWULFDUHDCL-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1CSC1	718345119	QVBPOAUPOKJCFP-UHFFFAOYSA-N	237.089	-0.332	50	10	BBGE	
CC1=N[C@@H](C)[C](C(=O)NCB(O)O)S1	725658775	QIYBGDZDABWCGZ-BYPYZUCNSA-N	215.063	-0.800	50	10	BBGE	
O=C(CO)NNC(=O)c1cccc2nccnc12	758541870	IPNWLYGYXQVRBJ-UHFFFAOYSA-N	246.226	-0.617	50	10	BBGE	
Cc1nc(N2CC[C@@H](B(O)O)C2)cc2nncn12	900963999	BTGVADAFVAXONC-MRVPVSSYSA-N	247.067	-0.514	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1ccccn1	1290119118	VCPOCGLBTGCDNJ-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)nc1O	1290261336	FUBGWUREKDJTCQ-UHFFFAOYSA-N	249.230	-0.471	50	10	BBGE	
COCc1ccc(C(=O)NNC(=O)CO)o1	1319877022	KDMCUERUIDPEQY-UHFFFAOYSA-N	228.204	-0.821	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1[N+](=O)[O-]	1556926531	UNKHHZSZYWCVMG-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC1(F)F)c1ncccn1	1570439770	CYJFMYUPQROWOC-RXMQYKEDSA-N	242.185	-0.107	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CCN1CC[C@@H](F)C1	1642192361	DSJJZWHGTDHGNJ-VHSXEESVSA-N	247.314	-0.236	50	10	BBGE	
O=C(O)CN(CCO)C[C@@H]1C[C@@H]1Cl	1883550351	DZNAAWHHUKHIJO-BQBZGAKWSA-N	207.657	-0.007	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC1(F)F	1885991682	DUUAZOZJVDJSON-BYPYZUCNSA-N	207.180	-0.862	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)NN(C)C)C(=O)O	1888138336	PQURJYMCZFOHJN-RFZPGFLSSA-N	207.205	-0.427	50	10	BBGE	
C=CC(=O)NN(C)S(=O)(=O)C(C)C	1888563319	KBIYFIXOFDQNHP-UHFFFAOYSA-N	206.267	-0.126	50	10	BBGE	
O=C(O)C1(CO)CN(C[C@H]2C[C@H]2Cl)C1	1893117343	AAIBEXQZHZNIKI-RNFRBKRXSA-N	219.668	-0.007	50	10	BBGE	
O=C(O)COCC(=O)NC[C@H]1C[C@@H]1Cl	1893118511	INCYMTNARJTMFZ-RITPCOANSA-N	221.640	-0.169	50	10	BBGE	
CC(CO)(CO)CNC(=O)[C@@H]1C[C@H]1Cl	1893446610	PJCFLOIPOITFQN-RNFRBKRXSA-N	221.684	-0.279	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)[C@H]1C[C@@H]1Cl	1893475552	VMFLWPRIAYYEKM-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)C[C@@H]1CO	1899604677	DFLQWSSXASBBOX-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)CCCl)C[C@H]21	1900558194	KFWLXSKWHSCYRR-UQWHLADISA-N	216.668	-0.195	50	10	BBGE	
C[C@@H]1CCN1c1ccc(B(O)O)cc1C#N	1901200422	UNJHUWZFVDMWBV-MRVPVSSYSA-N	216.049	-0.163	50	10	BBGE	
C[C@@H]1CC(NC(=O)C#CB(O)O)C[C@@H](C)S1	1901581556	DKCADSYJHWQDKT-HTQZYQBOSA-N	241.121	-0.209	50	10	BBGE	
C[C@H](CN1CC[C@@H](B(O)O)C1)CS(C)(=O)=O	1902528612	IXEKNYFKHYVWKX-RKDXNWHRSA-N	249.141	-0.784	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	1904687510	FUIMYMLHUFUZQZ-IWSPIJDZSA-N	228.101	-0.742	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@]2(C)C1	1907079931	KJRYKKSUBREMQR-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@]3(C)C2)ccc1B(O)O	1907081977	YDYBBIDTAZJNPR-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
C[C@@H]1[C@@H](N2CC(=O)OC(=O)C2)C2CCN1CC2	1910311486	CRZQCKYOAAZUOG-PRHODGIISA-N	238.287	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCCC2)C[C@H]1CO	1912752738	DAZYMBZWPRLCEL-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CS(C)(=O)=NC[C@@H]1C[C@@H]1C(=O)NN	1913521500	IBANHUYOIZJHDN-WDSKDSINSA-N	205.283	-0.660	50	10	BBGE	
OB(O)c1cccc(CN2CCOCC23CC3)c1	1915579265	KIPUDMHGJUTLKK-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)C(F)(F)F	1923407652	ARDBJJGMBNAHPJ-UHFFFAOYSA-N	236.153	-0.407	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CN(C)C1	1928160478	JNGHERNLKDEQDE-HTQZYQBOSA-N	214.313	-0.753	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NN)CC1(C)C	1930243674	MMAMNNLBPMMTRW-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NCB(O)O)S1	1931579932	DAAFIKCVAQUKAA-RITPCOANSA-N	203.072	-0.601	50	10	BBGE	
O=C(CCCl)NC[C@@H]1COC[C@H]1O	1933390467	WPCMCUHLSOXOJJ-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)C1	1936083604	JFBCCDDLTSNHAY-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)COCCSCC(=O)NC1CC1	1936525931	JNQWZSAXJMSFOY-UHFFFAOYSA-N	247.320	-0.995	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@]12CCOC2	1937567074	YQYFQWJJCRCOMQ-SNVBAGLBSA-N	227.264	-0.852	50	10	BBGE	
CN(C)[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1938247417	SRPYZTFRJBYWJZ-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@H](O)[C@H]1CC2	1939158586	VJMXOURLTJHDAC-QEYWKRMJSA-N	227.308	-0.257	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H](C2CC2)C1	1940889140	AWMJEYPDRQADDZ-MRVPVSSYSA-N	249.261	-0.278	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](O)[C@H](F)C1	1941013217	UOSSWLOBUXIXPU-BBBLOLIVSA-N	247.314	-0.204	50	10	BBGE	
CCN1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941087454	BCWVRUQJBGTSIK-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCN(C)C1CC1	1941989712	QMOBWEIZSFBOHU-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
COc1cc(OC)cc(C(=O)NNCCO)c1	1944215396	HWTRRSQZGPNRSC-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC12CC2	1944723431	IXDCXTBVBZVJQB-AEJSXWLSSA-N	239.319	-0.277	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@H]1CCN(C)C1	1945911576	AKBYCZSHGLMRKV-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
COC[C@]1(O)CCN([C@H](C)CCC(=O)NN)C1	1946479966	YPNVNNALBVJYCN-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@@H](O)C[C@@H]1O	1954819495	RINBZPFPKRAJAP-QYNIQEEDSA-N	207.657	-0.384	50	10	BBGE	
C[C@@H](CCNC(=O)C(=O)NN)C(F)(F)F	1957648102	BACGPNAJCZOKKI-BYPYZUCNSA-N	227.186	-0.319	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H](O)C1	1961137548	SLNNJZRNUUEUAQ-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
Cc1nc(CN(C)CCC(=O)NN)co1	1961254577	UEHFEWUHXZGEBQ-UHFFFAOYSA-N	212.253	-0.205	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@H](C#N)C(C)C	1962350728	GFQFAIIOSJGRQL-QMMMGPOBSA-N	233.293	-0.247	50	10	BBGE	
CC[C@@H](OC)C(=O)N1CCC(B(O)O)CC1	1964499834	CSIJAOTWVKCUAP-SECBINFHSA-N	229.085	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1	1967587672	PHDOUUICZRWPJM-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCOC[C@@H]1C(=O)NC	1976905574	XBVCLWBYXPGLRY-JGVFFNPUSA-N	248.710	-0.023	50	10	BBGE	
CN(Cc1c(Cl)ncn1C)C(=O)C(=O)NN	1980181768	CMBJMCYJMRTARE-UHFFFAOYSA-N	245.670	-0.978	50	10	BBGE	
COC1(CF)CN(CC(C)(C)C(=O)NN)C1	1980377965	QXVMZJGGQZOINN-UHFFFAOYSA-N	233.287	-0.327	50	10	BBGE	
COc1nc(OC2CCC2)ncc1B(O)O	1981420736	PLZKKPBBYMUZQQ-UHFFFAOYSA-N	224.025	-0.904	50	10	BBGE	
CNC(=O)N(C)[C@H](C)c1cc(B(O)O)cs1	1987160840	HAXXGNPOIPMHCA-ZCFIWIBFSA-N	242.109	-0.240	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@H]1C1(O)CC1	1987339723	CCGQHQILHQSEBP-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
N#Cc1cccc2c1CCN2CC(=O)NN	1988539741	NUYKYGPYNSYMFZ-UHFFFAOYSA-N	216.244	-0.089	50	10	BBGE	
NC[C@H]1C[C@H](NC(=O)/C=C/C(=O)Cl)CCO1	1991702080	PHVWMOBVTPUTQM-XLNBVVSQSA-N	246.694	-0.070	50	10	BBGE	
C[C@H](O)[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991717199	UVTIJNFUKNUUFH-RIAPOHOLSA-N	247.678	-0.084	50	10	BBGE	
CO[C@@H](CN1CC(=O)OC(=O)C1)C(F)(F)F	1991824769	PNDMHSZLPGDBBH-YFKPBYRVSA-N	241.165	-0.051	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CCC1)C(F)(F)F	1992067038	FCLHYAAUDLHDDU-YFKPBYRVSA-N	239.197	-0.177	50	10	BBGE	
O=C1CN([C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@H]([C@H]34)[C@@H]52)CC(=O)O1	1995628229	NSOMSUBTCQXIGR-CDZIQQGSSA-N	219.240	-0.118	50	10	BBGE	
C[C@@](O)(CCO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	1999966957	DLNXGQUZONHOQR-DKCNOQQISA-N	243.259	-0.964	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCn1cncn1	2003834391	CYNWPRPXQZBGQI-SECBINFHSA-N	240.311	-0.776	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOCC2(CC2)C1	2004238180	LAMOXQBWDMLMJZ-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
CC[C@@H]1CC[C@H](C)N1c1ncc(B(O)O)cn1	2004911122	CTSFVTBYKSJXJO-WCBMZHEXSA-N	235.096	-0.076	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C)[C@H]2C)c1B(O)O	2004971979	YUXWKNFQLBYEHA-VXNVDRBHSA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2005808176	OATODGRMMWPKDB-OORONAJNSA-N	231.064	-0.999	50	10	BBGE	
CN(CCCCC(=O)NN)CC1[C@@H]2COC[C@@H]12	2006196639	BFBWADICHKSAHX-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1[C@H]2COC[C@H]12	2006197107	FMMPDMRUSIYOQR-OINDSLJFSA-N	241.335	-0.175	50	10	BBGE	
CN(C)C1CC(Oc2ccc(B(O)O)cn2)C1	2012099252	IFIUKZAWSCTRPM-UHFFFAOYSA-N	236.080	-0.767	50	10	BBGE	
Cn1cnc2cc(NC(=O)C(=O)NN)ccc21	2012295773	FWYGXXMLFXNTBC-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
NNC(=O)CCN1C[C@H]2C[C@H]1CN2CC(F)F	2014703323	NTRLBLIBPYFYSX-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncc(F)cc2B(O)O)CO1	2014930811	YJTDAIXRNVDHKV-XPUUQOCRSA-N	241.027	-0.543	50	10	BBGE	
C=CC1(O)CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2018886058	QFQDTTSJOSNXQV-NXEZZACHSA-N	239.319	-0.375	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2021105283	QGNKOHJYUZHZEQ-KAMPLNKDSA-N	233.076	-0.590	50	10	BBGE	
C=C(CN1CCC[C@@H](n2cncn2)C1)B(O)O	2021157337	KWBOCLUJZRKDSR-SNVBAGLBSA-N	236.084	-0.517	50	10	BBGE	
N#CCCCNC(=O)c1ccccc1B(O)O	2022196133	HQNLEWKXTNZIDO-UHFFFAOYSA-N	232.048	-0.600	50	10	BBGE	
O=C(NNCCO)c1cccc(-c2nn[nH]n2)c1	2031834387	BHZUYJFMLNLPKI-UHFFFAOYSA-N	248.246	-0.907	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H](N)[C@@H]3C[C@@H]23)CC1	2047466038	NCGIUSFKQIMHMD-DBIOUOCHSA-N	249.314	-0.153	50	10	BBGE	
COc1ccc(C=O)c(B(O)O)c1C#N	2060188535	KUPKBAFJGCUACP-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(Oc2cccnc2)n1	2069159707	LGCPDGHADCAAGJ-UHFFFAOYSA-N	245.047	-0.039	50	10	BBGE	
CCn1nc(C)c(C(=O)NCC#CB(O)O)c1C	2077438008	DYHQIUSSIGHTCR-UHFFFAOYSA-N	249.079	-0.735	50	10	BBGE	
NNC(=O)CN1CC(SC(F)(F)F)C1	2209908530	NTFGYZUGMLOVIQ-UHFFFAOYSA-N	229.227	-0.087	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)C[C@@H](F)C1	2210691869	NUTBTEFKJVMWSC-FNCVBFRFSA-N	231.271	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](O)C1	2210695572	NUTBTEFKJVMWSC-BZNPZCIMSA-N	231.271	-0.983	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C(C)(C)O	2212601457	OFODGGMSRURFBZ-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)CCS1	2212610946	RTEGLPQUNUUTDF-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@]1(F)CCOC1	2216338340	OZNOYHLHPPOGTH-LLVKDONJSA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCNC2)c1F	2217181353	ORBOKJRUCHNDCK-ZETCQYMHSA-N	239.059	-0.936	50	10	BBGE	
C[C@H]1C[C@@H](COc2ncccc2B(O)O)CN1	2217181651	SOVJOKMQHQNXBJ-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(O[C@@H]2CC[C@H](N)C2)cc1B(O)O	2217185655	ZXCCGLFSYXUZDW-DTWKUNHWSA-N	236.080	-0.672	50	10	BBGE	
CC[C@](C)(N)CCOc1ccc(B(O)O)cn1	2217190807	GRTKLXBZSQCKKJ-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC[C@H]3C[C@@H]2C3)nc1	2217196880	IXPRLFZCMIRDLS-XKSSXDPKSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H](CCCCO)Nc1ncc(B(O)O)cn1	2217203262	RVKGEZIPWZHYIM-QMMMGPOBSA-N	239.084	-0.881	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220062052	FNRDDYDLGNUZMK-RAIGVLPGSA-N	247.103	-0.821	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CC[C@H](C1)O2	2223632609	MCJAHPZSCDLKSM-OWUUHHOZSA-N	248.091	-0.117	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(c2ncccc2B(O)O)C1	2223648763	PMIFSWFZYIEDJI-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1cnc(NC[C@]23C[C@H](CCO2)C3)nc1	2223669618	LXRYDVYJNDWALV-DKTWLAJQSA-N	249.079	-0.863	50	10	BBGE	
N#Cc1cccc(Nc2ncc(B(O)O)cn2)c1	2223676716	FBJSLXNKQWYDBS-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
O=C(Nc1cnns1)C1(B(O)O)CC1	2241473278	GZFWQTSHELYNPW-UHFFFAOYSA-N	213.027	-0.516	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2243362215	NUUIGBUQGRUCKW-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)C1(B(O)O)CC1	2243365735	REJHOZKFDCYUML-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
O=C(NCc1cnoc1)[C@H]1C[C@@H](B(O)O)C1	2243380944	ATIQDGAHPSKYSF-OCAPTIKFSA-N	224.025	-0.456	50	10	BBGE	
CCOC1CN(C(=O)C2CC(B(O)O)C2)C1	2243395943	FBNPJVKRLMFVRW-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
CN(Cc1ccncc1)C(=O)C#CB(O)O	2243401265	OOYXOATUNUDFSV-UHFFFAOYSA-N	218.021	-0.945	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)[S@@](C)=O	2243403909	FYHFPRNZWNYJJV-WDYVCPEMSA-N	247.125	-0.877	50	10	BBGE	
O=C(C#CB(O)O)NCC(F)(F)CC1CC1	2243404928	WUFMRZOZIOEZPX-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
CC1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243414878	JRFOSNYQSOWJBI-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243415008	MHSHTTYHBANYSD-IWSPIJDZSA-N	228.101	-0.694	50	10	BBGE	
CP(C)(=O)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243420135	NDBLUOGKLKYAOJ-YUMQZZPRSA-N	247.040	-0.022	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243426343	HAXGTMOSHKYKLV-DJLDLDEBSA-N	229.085	-0.675	50	10	BBGE	
CS[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2243427514	WRVFGJJMFYNSNM-RULNZFCNSA-N	247.125	-0.922	50	10	BBGE	
CC(C)(F)C(=O)Nc1ccc(B(O)O)cn1	2243685391	TYFYPXSFKPOHNT-UHFFFAOYSA-N	226.016	-0.552	50	10	BBGE	
C=CC1CN(c2cc(B(O)O)c(C)cn2)C1	2245454908	PGEYYHZODNDYOW-UHFFFAOYSA-N	218.065	-0.308	50	10	BBGE	
COC1CC(CCN(C)C(=O)C#CB(O)O)C1	2247744540	UOYSAHUIQRONNY-UHFFFAOYSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)C1(B(O)O)CCC1	2247757949	SWNLFNPFNHMDHW-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CN(CC1(F)CC1)C(=O)c1occc1B(O)O	2247758246	UQGAOCNXVBQCAD-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
O=C(N1C[C@@H](O)C(F)(F)C1)C1(B(O)O)CCC1	2247759004	YDEUUOAJBBJXCM-ZCFIWIBFSA-N	249.022	-0.778	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(OC(F)F)C1	2247792963	VTJUNVHVEDBHGB-OLQVQODUSA-N	249.022	-0.311	50	10	BBGE	
CCn1ccnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247793371	XJXDJMYRMQPVLK-JGVFFNPUSA-N	237.068	-0.618	50	10	BBGE	
O=C(N[C@]12CCNC[C@H]1C2)C1CC(B(O)O)C1	2247797284	IAMLPYKHEPCOPK-LURLDICESA-N	238.096	-0.892	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cccc(C)c1B(O)O	2247875244	UWNSKHFDYGPLTB-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)N(C)C1CC1	2247877632	CJTAGGXUQBHMAV-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
Cc1cc(C(=O)N[C@@]2(C)C[C@H]2C)oc1B(O)O	2247891520	YZQJHLQVMJUPRX-HQJQHLMTSA-N	237.064	-0.204	50	10	BBGE	
COc1cc(NC(=O)[C@@H]2C[C@@H]2B(O)O)ccn1	2247896930	MBCMBQGWOJKEDC-SFYZADRCSA-N	236.036	-0.108	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](CO)C2(CC2)C1	2247898488	DYXWECAFIYODNX-YIZRAAEISA-N	239.080	-0.920	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H](C)O1	2247899979	RYJSHSPEMMFYOL-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
CCN(CC)C(=O)c1ccc(B(O)O)cc1O	2247962731	QMQJFPUAMKYRBO-UHFFFAOYSA-N	237.064	-0.446	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1C(=O)O	2248576882	JHOKJJKIJVJVLA-WCTZXXKLSA-N	241.052	-0.829	50	10	BBGE	
O=C(O)C1(NC(=O)C2(B(O)O)CC2)CC=CC1	2248586843	IDDWLYORSYZOSN-UHFFFAOYSA-N	239.036	-0.717	50	10	BBGE	
Cc1ccnc(O[C@@H]2C=CCOC2)c1B(O)O	2249278917	PKRLHSLIGWPKGC-SECBINFHSA-N	235.048	-0.596	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)C2(B(O)O)CC2)C1	2251730887	XOAIDMZCGKZBPE-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC3C[C@@H]4C2[C@@H]4C3)nc1	2253519672	KJNATUQRZHWIRZ-CYOKLVMASA-N	245.091	-0.387	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cc(B(O)O)oc1C	2255444984	QXANJOUCYSETQR-SECBINFHSA-N	247.059	-0.494	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255454058	MFNDBAPIXDNNJH-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
N#CCC1(CNC(=O)c2ccc(B(O)O)o2)CC1	2255474582	SVWMAXIIKNKDNY-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1ncccc1B(O)O	2255517482	WENXJKMOBGDCAI-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC2CCC1CC2	2255554721	QBWNWZZXRSMIGM-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1cc(B(O)O)c[nH]1	2255680465	MIMCJECGKHZVQQ-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
C#CC[C@H](C)C(=O)NCc1ccccc1B(O)O	2256664273	AOZMWWSESLNGSW-JTQLQIEISA-N	245.087	-0.358	50	10	BBGE	
CN(CC1COC1)C(=O)c1cccc(B(O)O)c1	2257522260	FPHDXIQKWHNSME-UHFFFAOYSA-N	249.075	-0.915	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258124471	DCWUGPRHTVTLOA-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1cc(B(O)O)co1)C2	2258136692	ZKZWVIHMEVCLDZ-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C(=O)[C@@H]2CCC[C@H]21	2258152912	LOZCVEMWJUIZJV-HTQZYQBOSA-N	249.031	-0.890	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)c(B(O)O)o2)CCC1	2259904383	KYGALFHYHOBDKW-UHFFFAOYSA-N	247.059	-0.446	50	10	BBGE	
CC[C@H](N)CNc1ccc(C=O)c(B(O)O)c1	2301421637	WYKRGIUKIKRRAV-VIFPVBQESA-N	236.080	-0.672	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2301837869	UACGUJMWTQBRTJ-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)CC1(O)CC1	2301919454	PDHYSFNXVXMGQT-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(F)c1	2309543720	BURFMDZGGBPGFJ-HLFIEIIFSA-N	248.066	-0.255	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCC[C@H]1N	2317168785	YRAFTSFJBDVRER-PWSUYJOCSA-N	245.091	-0.470	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(C)(O)CC1	88023281	WPLPPOJYJZQDMC-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H](C(=O)NNC(=O)CSC)N(C)C	89994510	ZBSNNSGXVVMGLW-ZETCQYMHSA-N	233.337	-0.163	50	10	BBGE	
Cc1nccn1CCn1cc(C(=O)NN)nn1	110579035	WJSJQQLDZJWPJG-UHFFFAOYSA-N	235.251	-0.913	50	10	BBGE	
NNC(=O)c1ccccc1Cn1cccnc1=O	111611215	PBTDLGIAQZKRSI-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CS(=O)(=O)CCS(=O)(=O)CCl	128635276	ZSPSVIRIIBIAIL-UHFFFAOYSA-N	220.699	-0.358	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H](CN)C1	163898525	BNLCJKJXIZINRA-WPRPVWTQSA-N	242.323	-0.930	50	10	BBGE	
O=C(O)C[C@H](CO)CNC(=O)CCCl	170310685	YEEFMLDDRDIGCR-LURJTMIESA-N	223.656	-0.185	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CCO)C1	229247929	CDEDHYSNCNMGAX-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
CO[C@H]1CN(CC(=O)NN)CC[C@@H]1C	230357243	IYDBXXCRFMBVAW-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1CN(C)CCN1Cc1cccc(B(O)O)c1	235602094	QXQBJSYVHZPWLW-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
COc1ccc2nsc(B(O)O)c2c1	238384570	QXDROSQSUIOPTE-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
CNNC(=O)C[C@@H](N)C1CCN(C)CC1	259053080	LWERRJBKSIFSBP-SECBINFHSA-N	214.313	-0.704	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC1(Cl)Cl	306496488	DQKCEZFWYYSRTJ-VKHMYHEASA-N	227.047	-0.680	50	10	BBGE	
Nc1csc2ccc(B(O)O)c(N)c12	306929407	ARJFBVGTYZKJDQ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
Cn1nnc(Cn2nncc2CCl)n1	307082984	VAKNFRYWLZIYFL-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	308928099	QNXPQDOMRWIUOZ-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
O=C(NC1CNC1)c1cnn(CCCl)c1	381624961	IUQNMNBVZXCWRP-UHFFFAOYSA-N	228.683	-0.177	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CCC(=O)NN	385716287	RPFPJPRIDKWRIT-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1S	396031191	JMIXTZCGZGLQAA-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
C=CCNC(=O)Nc1cc(B(O)O)ccc1C	405108995	BCTUGMBQFLHYFY-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@]12CCC[C@@H]1C2	693142245	VETSRZBDOBTISR-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
COC[C@@H](COCCC(=O)NN)OC	695706838	BJWGPSZRTNDEPW-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@@](C)(C(F)F)O1	698921559	ZMGTYSLHAIJTRM-RCOVLWMOSA-N	237.250	-0.279	50	10	BBGE	
CC(F)(F)C(C)(C)C(=O)NCB(O)O	702022173	GONJSRASYWKDAU-UHFFFAOYSA-N	209.001	-0.204	50	10	BBGE	
COC[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703425028	PGEPUNRFVJGZBM-CSMHCCOUSA-N	213.233	-0.062	50	10	BBGE	
C[C@H](CN1CCC[C@H]1C(C)(C)O)C(=O)NN	707557816	LDCRUZJUQQCYGA-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=C(NC1CC1)c1cc(B(O)O)cs1	709739915	XOVUALOKZCJSLE-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CSC[C@H]2C1	711524016	DCWRAFORFYNAHL-BIIVOSGPSA-N	215.322	-0.340	50	10	BBGE	
NCC1CN(CC(=O)NNc2ccccn2)C1	712591430	VWRYXJILJAHHLE-UHFFFAOYSA-N	235.291	-0.585	50	10	BBGE	
O=C(NC1CC1)N1CCc2ccc(B(O)O)cc21	712958319	WMQZXILZNXGDIO-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23C[C@H]2C[C@@H](N)C3)CC1	713227324	YOLSFTCBQNIKSN-GIPNMCIBSA-N	249.314	-0.009	50	10	BBGE	
Cc1nnc(CN2CC(=O)OC(=O)C2)o1	719383331	VWEMFGBJPQZBLS-UHFFFAOYSA-N	211.177	-0.737	50	10	BBGE	
NNC(=O)CCCN1CCS[C@H](CO)C1	720071325	WVNXKCWZNQGZHF-QMMMGPOBSA-N	233.337	-0.834	50	10	BBGE	
C[S@@+]([O])(=O)CC[N+]1=N[C@@H](N)C(C#N)=C1	725572125	RLSLMETWZUKBAL-SSDOTTSWSA-N	215.258	-0.368	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C]1CC=CS1	725711695	QPLJCCHRJCWQES-UHFFFAOYSA-N	249.080	-0.118	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)OC	727364948	XYQHWCDVHVZYIP-NTSWFWBYSA-N	230.220	-0.427	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NN(C)C(N)=O	867127849	UZAYRIJNBQVVRX-DSYKOEDSSA-N	215.253	-0.158	50	10	BBGE	
Cc1oc(C(=O)NN(C)C(N)=O)cc1CO	1466167436	HFVNJWJRWVZTPS-UHFFFAOYSA-N	227.220	-0.264	50	10	BBGE	
CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ncon1	1472178763	FKFKAVQGZVSMMQ-PHDIDXHHSA-N	242.235	-0.762	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/[C@@H]1CCOC1	1543664319	MPMWMJZIKBSRRF-TYWZFMJISA-N	213.237	-0.461	50	10	BBGE	
Cc1nnc(CC(=O)NN(C)C[C@H](C)O)o1	1556925927	APQZFXRRCZTBRL-LURJTMIESA-N	228.252	-0.736	50	10	BBGE	
COc1cccc(NNC(=O)Cc2nc[nH]n2)n1	1623710688	PJXNKFLHGJLUCW-UHFFFAOYSA-N	248.246	-0.106	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cn(C)ccc1=O	1627016141	BZUUZRRCNOWUTA-UHFFFAOYSA-N	238.247	-0.699	50	10	BBGE	
CC(=O)c1cccc(S(=O)(=O)NNC=O)c1	1858080962	ZURRSVFXZLWICO-UHFFFAOYSA-N	242.256	-0.172	50	10	BBGE	
O=C([C@H]1C[C@@H]1Br)N1C[C@H](O)CO1	1881353795	NLAYHWHWXJVWLD-ZLUOBGJFSA-N	236.065	-0.096	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OC[C@H](CO)[C@@H]2C1	1885045175	XSEOUEANRZFFPM-FXQIFTODSA-N	219.668	-0.309	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1OCC[C@H]1F	1885220510	UBSHSJRMQGTAQN-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC[C@@H]1CCl	1885225410	DQSJJLQVFMEJKW-RXMQYKEDSA-N	236.684	-0.194	50	10	BBGE	
O=C1CN(C[C@@H]2[C@H]3CCCO[C@@H]23)CC(=O)O1	1895433312	RVWIPOKOADRVJI-SOCHQFKDSA-N	225.244	-0.203	50	10	BBGE	
C#CCCOc1ccc(C=O)c(B(O)O)c1	1901238114	TYDFYOWMHNLBDZ-UHFFFAOYSA-N	218.017	-0.419	50	10	BBGE	
CC[C@H]1NCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901376126	WIZXIKFDHZLDGW-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(COC[C@H]1COCCO1)B(O)O	1901631879	FBVKSVKSGKZXSA-SECBINFHSA-N	230.069	-0.233	50	10	BBGE	
CN(Cc1cscc1B(O)O)C[C@@H]1CCO1	1902003662	NNKKJMWJJRBMIH-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
OB(O)[C@H]1CCN(CCCc2cn[nH]c2)C1	1902547518	YJPGQWMEQSGBMW-JTQLQIEISA-N	223.085	-0.109	50	10	BBGE	
C[C@H](N=S(C)(C)=O)[C@H](C)C(=O)NN	1913513020	BWMANHDOODBQMC-WDSKDSINSA-N	207.299	-0.272	50	10	BBGE	
OCCN(CCOCCCl)C1COC1	1915688551	JKHWLQPIGIFXFM-UHFFFAOYSA-N	223.700	-0.065	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1	1917083883	HJKGGVMAAYLWHE-VHSXEESVSA-N	221.260	-0.215	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)C(F)(F)F	1923448415	QIKDGIUPYZEYQR-YFKPBYRVSA-N	238.165	-0.266	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)CC2(CC2)C1	1926419633	HXGMDYNBXXFQCE-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
COC[C@@]1(OC)CCCN(C(=O)NN)C1	1931666787	IUBBSTKGTVDJSK-SECBINFHSA-N	217.269	-0.303	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)[C@H](C)C(=O)NN	1932221115	IFSPLPIVHYDNMQ-IWSPIJDZSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CC(=O)NNCCO	1935369981	DQATUWPXXSXGDQ-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
C[C@H]1COCCCN1C[C@@H]1C[C@H]1C(=O)NN	1936088365	MNLNAYHJGVFYIZ-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)[C@H]1CO	1938245983	CKWBGKHWONVTKS-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](N1CC(=O)OC(=O)C1)C2	1939197659	MNFCLIFIFDJAQU-BKDNQFJXSA-N	225.244	-0.061	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](CO)C[C@H]1C	1939637937	KREZTTOJRISUAH-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@H]21	1940525691	TXZLYLYDZQTINO-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
CCCN(CC(=O)NC)C[C@@H]1C[C@@H]1C(=O)NN	1941089585	WGAFXEUEEFDGOI-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)O	1941552365	LMDNMQZNBIENPG-JGVFFNPUSA-N	245.279	-0.358	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@@H]3C[C@@H]3C2=O)O1	1941672608	ULSJQWOXKFRLFB-JBDRJPRFSA-N	239.275	-0.998	50	10	BBGE	
COC[C@@]1(OC)CCN(C[C@H](C)C(=O)NN)C1	1946475490	TWKBXAUSPRAEID-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1CN(CCn2cc(B(O)O)cn2)C[C@@H]1C	1950188658	GCVHBPQPDGYSFH-AOOOYVTPSA-N	237.112	-0.849	50	10	BBGE	
C[C@@H](Cl)CC(=O)N(C)C(CO)CO	1954240216	SXEPIMMITVJQGY-ZCFIWIBFSA-N	209.673	-0.185	50	10	BBGE	
CC[C@H]1CCN1c1ncncc1B(O)O	1961680065	PAJQEYGHIXWHRE-ZETCQYMHSA-N	207.042	-0.855	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1nc(B(O)O)cs1	1961718341	NDASHTJFGFNCQP-RQJHMYQMSA-N	226.110	-0.085	50	10	BBGE	
Cc1ncnc(SCC2CC2)c1B(O)O	1975032069	ATKQTLJKUCHTQK-UHFFFAOYSA-N	224.094	-0.033	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	1976841935	QBDJRNJKNSJUDQ-JBDRJPRFSA-N	221.260	-0.601	50	10	BBGE	
CC[C@H](COC)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1979240641	FKKBXLREMKULSH-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CCOC2)n1	1981428273	ZFQBWEKMUSAFNY-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
COC[C@@H](OCC[C@@H](C)N(C)C)C(=O)NN	1983693127	DNJSVYOQDWGQJB-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@H]32)CC1	1984034331	QNFSHRZQGRUTHB-YIZRAAEISA-N	225.292	-0.788	50	10	BBGE	
Cc1ccnc(OC(CF)CF)c1B(O)O	1985996815	HNJQSVVEFRXDTP-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@]12CC2(F)F	1991326461	GYQBJDQMNGHJNP-XPUUQOCRSA-N	231.007	-0.284	50	10	BBGE	
N[C@]1(C(=O)O)CCN(C(=O)C=CC(=O)Cl)C1	1991647543	FQPOKDOSLCFTST-SECBINFHSA-N	246.650	-0.678	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1C[C@@H](CO)CO1	1991662277	JSCXQYYVOAAETM-YUMQZZPRSA-N	247.678	-0.178	50	10	BBGE	
CC[C@@]12CC[C@@](C(=O)NCB(O)O)(CO1)C2	1993692492	WCMOSGKSMRKFOK-UWVGGRQHSA-N	227.069	-0.536	50	10	BBGE	
CC1(C)C[C@@]1(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998130161	GLKKSSGGFNKASA-WKEGUHRASA-N	243.068	-0.535	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	2002909145	LVHSMOFHNSIVCP-GARJFASQSA-N	240.351	-0.221	50	10	BBGE	
CCC1(CN(C)c2ncncc2B(O)O)CC1	2004911363	GCVLLSAPRNUGOF-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CC[C@@H]1C[C@H](C)CN1c1ncncc1B(O)O	2004919557	AOAUWOKSXMFOHP-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCCCC(=O)NN	2005876912	CHBPLEOWNBHHKH-VIFPVBQESA-N	243.307	-0.216	50	10	BBGE	
Cc1ccnc(OC[C@@H](C)N(C)C)c1B(O)O	2007000886	LKNOKCRIKCRFMU-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1=O	2010832215	GMERVILDPDUFST-DTWKUNHWSA-N	240.307	-0.240	50	10	BBGE	
C[C@H](O)C[C@H]1COCCN1CCCC(=O)NN	2013007716	ZLALGMWIDZWFEF-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)COCCOC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2016503336	AQKJUKDXYQOZBE-KNDBQHFLSA-N	240.303	-0.089	50	10	BBGE	
C=C[C@@]1(O)CCCN(CC(=O)NNC(C)=O)C1	2018878554	XNPUEQFRUIXZFO-LLVKDONJSA-N	241.291	-0.833	50	10	BBGE	
O=C(C1CC1)N1CCc2ccc(B(O)O)cc2C1	2032571335	WXATYOVLPGMLKJ-UHFFFAOYSA-N	245.087	-0.339	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2CCC[C@@H]21	2052466115	GBGLLRVMJNZYBF-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
CCc1c(OC)ccc(C=O)c1B(O)O	2060167363	NGMTZYPKEZNPFT-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
COc1c(C#N)ccc(C=O)c1B(O)O	2060192866	HQHPJDBWCVJAMB-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
OB(O)c1ccc(COCCn2ccnc2)cc1	2064610701	WDNKCPRBCULLQX-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
O=C(NCCOC1CC1)c1ccccc1B(O)O	2079011276	BPYOKSBMKGORSJ-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1Cc1nscc1B(O)O	2211136010	NVZRYRXCAICFAZ-NKWVEPMBSA-N	244.100	-0.245	50	10	BBGE	
CCN(CCF)c1nccc(B(O)O)c1F	2212603179	DBRNBZCDKDZSEX-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C1CCC1	2212605836	KUOGBJIYOCANOQ-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
CN[C@@H](C)CCOc1ncccc1B(O)O	2212606585	WLNWGDVVWJNOQI-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1cc(B(O)O)ccn1	2212612242	IUYJJCDVTOBBGX-APPZFPTMSA-N	224.044	-0.302	50	10	BBGE	
NNC(=O)C1(Cn2cncc(F)c2=O)CC1	2212632213	ARIVZVAGLFYOIT-UHFFFAOYSA-N	226.211	-0.848	50	10	BBGE	
CN(C)CC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215776261	LSNWBOHJAPDOCK-MNOVXSKESA-N	240.351	-0.504	50	10	BBGE	
CCC[C@H](OC[C@]1(C)COCCO1)C(=O)NN	2216076416	ZUEHQVWCDMIVIV-ONGXEEELSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCCC1	2216873347	XLAQHLINYJRPLE-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN[C@@H]1CCC[C@H]1Oc1ncccc1B(O)O	2217165991	KGGBEPNKVOWLJR-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
C[C@H](CCCO)Nc1nccc(B(O)O)c1F	2217183143	GIELABXNDKDRGS-SSDOTTSWSA-N	242.059	-0.527	50	10	BBGE	
CC[C@@H](N)C[C@H](C)Oc1cc(B(O)O)ccn1	2217192746	JFBLUKILGGLXMH-WCBMZHEXSA-N	238.096	-0.344	50	10	BBGE	
C[C@H]1OCC[C@H]1CNc1ncccc1B(O)O	2217204032	DMPYLBJDKVSAOZ-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CC[C@H]3O)C2)c1	2220057505	HQUHDVSQERMXMJ-GFCCVEGCSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3C[C@@]3(O)C2)c1	2220074365	YUTZHRGGWLYDMG-DGCLKSJQSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CNCC12CC2	2223626082	LSJHMOCVOZBLPA-SECBINFHSA-N	248.091	-0.860	50	10	BBGE	
Cc1cnc(NCc2nccn2C)cc1B(O)O	2223650238	KGPPIJXIGJYDDM-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
N[C@H]1C[C@H]2CC[C@H]1N(c1cc(B(O)O)ccn1)C2	2223667599	QXSSNCGGMAWNAE-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
CCN(O)C(=O)c1ccc(B(O)O)s1	2241472516	SVXYNRURFHYRSH-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@]12CCC[C@H]1C2	2243349204	HTBXNQLRZMNJGS-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
C#CC(C)(C)NC(=O)c1csc(B(O)O)c1	2243361478	BVOURTZOXMIXSL-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)S1	2243362080	LPVAWAHGMIGBPH-DTWKUNHWSA-N	241.121	-0.256	50	10	BBGE	
O=C(N[C@H](CO)C1CC1)C1CC(B(O)O)C1	2243381147	CUCDWKVYFGVJIF-AMDVSUOASA-N	227.069	-0.874	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCN1C	2243392271	SNVKMXOECCKSEF-HRDYMLBCSA-N	226.085	-0.988	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2243401065	LQLCHPHTWXKWHR-UBVHSMIISA-N	219.049	-0.980	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)COC1	2243417712	WHMWLCNWFGLMGS-OCAPTIKFSA-N	227.069	-0.608	50	10	BBGE	
Cc1oncc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243426048	DFVAEJVBJXSXSC-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
O=C(O)C[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2243753578	WCTGTRICKXITRI-LURJTMIESA-N	227.025	-0.931	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)o1	2244147020	NYCMGLXOWIHJRG-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCN1	2244508666	ZUMWLOWYXAYKNL-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)CCCS1	2244548582	RQGYHKXVTIXUEV-JTQLQIEISA-N	241.121	-0.206	50	10	BBGE	
COc1ccc(CNC(=O)F)cc1B(O)O	2246245360	JVNZOMBNMWPHMF-UHFFFAOYSA-N	227.000	-0.446	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2COC(=O)C2)[nH]1	2246272093	HIKWYMQPDLNIRW-BYPYZUCNSA-N	243.654	-0.828	50	10	BBGE	
COC[C@@H](OCc1cccnc1)C(=O)NN	2246327367	BLOOTRVJVUPFSH-SECBINFHSA-N	225.248	-0.397	50	10	BBGE	
CCN(CC)CCNC(=O)C1(B(O)O)CCC1	2247732728	IOLIWSDUHVDUGM-UHFFFAOYSA-N	242.128	-0.159	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCCOCC1	2247737089	CJDIFOMBZZCKRE-JTQLQIEISA-N	239.080	-0.675	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)o2)CC=CC1	2247744385	RXDFPGDCDYMMOO-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
C=CCN(C)C(=O)c1ncc(B(O)O)cc1F	2247756557	MXLQKCYZEBKGCB-UHFFFAOYSA-N	238.027	-0.842	50	10	BBGE	
CC[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CC1	2247783327	CVBJLNPTKCRJAK-MRVPVSSYSA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1C[C@H](N)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785100	FWQWQICCNZADOD-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
COc1cc(C(=O)NCCF)ccc1B(O)O	2247785156	GSVCFIBUTQHHTF-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
CCN[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247796570	AVQFIUHHBJUAKV-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
C=CCCOCCNC(=O)C1CC(B(O)O)C1	2247796874	DOZKCVDZNAUJPS-UHFFFAOYSA-N	241.096	-0.052	50	10	BBGE	
CN(C[C@@]1(C)CCCOC1)C(=O)C#CB(O)O	2247847164	SILHFVRBDOJEMH-LLVKDONJSA-N	239.080	-0.723	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247850199	LHFQRQZCIZLTQT-LDYMZIIASA-N	237.064	-0.122	50	10	BBGE	
O=C(NCc1cccc(O)n1)C1(B(O)O)CC1	2247853516	NCZNTCUDRDYGFL-UHFFFAOYSA-N	236.036	-0.590	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2csc(B(O)O)c2)C1	2247867991	BSZNDNUDRGBFCG-MRVPVSSYSA-N	249.100	-0.477	50	10	BBGE	
COCCN(CCOC)C(=O)C1(B(O)O)CC1	2247873693	FCLIVWJBUBPZGX-UHFFFAOYSA-N	245.084	-0.885	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)C1(B(O)O)CC1	2247874110	JBUIPHVXTBHMIS-XVKPBYJWSA-N	237.064	-0.079	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2247874675	ORMGLJDUTCMIBZ-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
CCC[C@@]1(NC(=O)C2(B(O)O)CC2)CCNC1	2247875190	WOJXJLGCHYQLQM-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)oc1C	2247878691	PGPOOGLEIAKAIB-ZETCQYMHSA-N	237.064	-0.086	50	10	BBGE	
COC1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247887455	OJVYBKIWXQOMRF-RKDXNWHRSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)O2)[C@@H]1C[C@H]1B(O)O	2247898272	BWFPEKAENOSSKN-JNSGDMPLSA-N	239.080	-0.325	50	10	BBGE	
C=CCONC(=O)Nc1ccccc1B(O)O	2247977767	RDGUWZBXTJILPN-UHFFFAOYSA-N	236.036	-0.395	50	10	BBGE	
Cc1c(COC[C@H]2CCO2)cccc1B(O)O	2248221867	WGFXZZUQRBDNSZ-LLVKDONJSA-N	236.076	-0.020	50	10	BBGE	
C[C@H](C(F)F)n1cnc2c(B(O)O)ncnc21	2253073615	ZMEOGLJEMUUCST-SCSAIBSYSA-N	241.994	-0.668	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1ccc(B(O)O)o1	2255467236	KBBAGUKLYYDBMP-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1CC=CC1	2255498992	XWJFQEQMVWAWKZ-UHFFFAOYSA-N	248.091	-0.364	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC3(CC3)C2)c1	2255511588	LNHMNVLKBDCGTR-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
CC1=CCCC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255552672	OFVUKBXPMFQVHF-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
NC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccccc1	2255687572	JKFHGCVBNZPZKF-VWYCJHECSA-N	248.091	-0.335	50	10	BBGE	
CCC1(C)CN(C(=O)c2ccc(B(O)O)cn2)C1	2255710355	JPTZDBOTLQMPTO-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1cc(B(O)O)cn1C	2255716331	BYYBNOSZEIBUNK-VIFPVBQESA-N	249.079	-0.873	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255937678	XFGFNPIDGSQUBW-IIDWOEFGSA-N	249.075	-0.544	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)co1	2258122772	HBFGGTZFDJRKHR-PELKAZGASA-N	249.075	-0.026	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2258945627	JHSOZTHSCZLHKB-SNVBAGLBSA-N	247.059	-0.413	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165551	JLMPFCMVPYVKGW-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298371688	RTVNCXGCNUMPGM-NSTDSTDXSA-N	238.096	-0.909	50	10	BBGE	
Cc1cn2c(n1)CCN([C@H](C)C(=O)NN)CC2	2300650575	MJVGQKUEHNRSHZ-SECBINFHSA-N	237.307	-0.572	50	10	BBGE	
CC[C@](C)(CN1CC(=O)NC[C@H]1C)C(=O)NN	2303427080	VFKUWIQPQBDXQA-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
O=Cc1ccc(NCC[C@H]2CCO2)cc1B(O)O	2317309596	VCCXNOALHKVOOS-NSHDSACASA-N	249.075	-0.230	50	10	BBGE	
CNC=C(C#N)C(=O)N[C@@H](C(=O)O)C(C)C	2324993966	OEDJTEOVHBCNSH-MRVPVSSYSA-N	225.248	-0.161	50	10	BBGE	
CCOC(=O)/C=C(\N)NNC(=O)C(C)C	34386754	LRJYQMJBXXOZDO-FNORWQNLSA-N	215.253	-0.374	50	10	BBGE	
COC(=O)CNC(=O)NC(=O)CCl	36906040	TYOXRYPOJAWUNY-UHFFFAOYSA-N	208.601	-0.776	50	10	BBGE	
C[C@H](CC(=O)NN)NCCCn1ccnc1	58852988	OBDJBHLUGVXYCT-SECBINFHSA-N	225.296	-0.369	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N2CCCC2)C1	82469109	ACTGHUSIFIOJKP-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NN	82471852	KQEFBWGOKZIURD-RXMQYKEDSA-N	215.282	-0.089	50	10	BBGE	
CNCCCN(C)[C@@H](C)CCC(=O)NN	87472905	WWUDCHVBJSFLHD-VIFPVBQESA-N	216.329	-0.314	50	10	BBGE	
C[C@@H](CC(N)=O)NC(=O)CBr	135313929	GLSXKTLFQNUDOR-BYPYZUCNSA-N	223.070	-0.239	50	10	BBGE	
CCOC(=O)/C(C#N)=C(/C)NNC(N)=O	205952390	FWUNMLVUIORRHK-WAYWQWQTSA-N	212.209	-0.480	50	10	BBGE	
COC[C@H](CCl)NCc1nnn(C)n1	228858940	OKXODWCMLZGAJX-LURJTMIESA-N	219.676	-0.447	50	10	BBGE	
CS[C@@H]1CCC[C@H]1NC(=O)C(=O)NN	235239716	LXOPPHIQBRTZRY-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
CNC(=O)CSSCC(=O)NC	238331795	ZGAJZMGGRPDSOI-UHFFFAOYSA-N	208.308	-0.140	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@H]1CO	250686018	FMJSRSJZHWYBCP-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@]1(N)[C@@H]2CCO[C@H]2C1(C)C	253246503	RXNGQEVZBUKOGK-SOCHQFKDSA-N	227.308	-0.278	50	10	BBGE	
CC(C)[C@H](SCC(N)=O)C(=O)NN	300768119	CCRQLIDOMXYUDH-LURJTMIESA-N	205.283	-0.781	50	10	BBGE	
CN(C)NC(=O)c1cnn2c1CNCC2	309041443	KEEQTMCLVQGMQA-UHFFFAOYSA-N	209.253	-0.807	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)[C@H](CO)C1	316946884	AZUPDFUUUNJTBA-GJMOJQLCSA-N	221.684	-0.327	50	10	BBGE	
CC(C)[C@@H]1CN(CC(=O)NN)CCCO1	382324278	CFMWABAFFCAZJM-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](N2CCCC2)C1	382620553	YSDGMXSUVRESRJ-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCCCN1CCN2CC[C@H]1C2	394327190	MHBFJCQWZJWPTB-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
CCC(=O)c1ccc(C(=O)OC)c(B(O)O)c1	396135059	DAVWASJMFVWEPB-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
CN(CC[S@](C)=O)S(=O)(=O)CCl	398961250	ZCTIOPGYCCHFAG-NSHDSACASA-N	233.742	-0.177	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1cn[nH]c1	404953385	ULGPOONHEMFUSG-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1ncc(CN(C)CC(=O)NN)n1C	689551156	FBAMWYDFFKELLO-UHFFFAOYSA-N	211.269	-0.850	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ccnn1C	689552470	LSHDODIIAUJGSE-RKDXNWHRSA-N	239.323	-0.134	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(CN)CC2)CC1	692114971	VZMYABAOPQONMX-UHFFFAOYSA-N	223.276	-0.398	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2cccnc2n1	699274472	VVJMUPPVTNJWJV-UHFFFAOYSA-N	231.215	-0.057	50	10	BBGE	
OB(O)c1ccn(CCOC2CCCCC2)n1	701401780	SUERPJPVRGRSAY-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C)C[C@H]1CO	703890705	GTUCHGBZOCULOX-YUMQZZPRSA-N	220.700	-0.251	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)[C@@H](C)C(=O)NN)CCO1	705869849	QMJOGBMLHCMMES-UTLUCORTSA-N	245.323	-0.652	50	10	BBGE	
O=C(CCl)NC(=O)N[C@]12COC[C@H]1C2	718111170	KPBCEMJSYNPNLG-SVGQVSJJSA-N	218.640	-0.160	50	10	BBGE	
CN(CC1(C)CC(F)(F)C1)C(=O)C(=O)NN	720835809	AVLGZTZQPABBFY-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)C	726711019	CSWIEOCNHWZEJM-VIFPVBQESA-N	241.291	-0.199	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(F)F	753671857	YYOFDOTYZIFECU-HSUXUTPPSA-N	234.202	-0.034	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)[C@@H]2CCOC2)CCCO1	754353980	KNWRKZPGGHEHCX-KCJUWKMLSA-N	242.275	-0.261	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCSC1)c1cnn[nH]1	762201150	QSJDOXYDTWBJGN-YFKPBYRVSA-N	241.276	-0.681	50	10	BBGE	
O=C(NNS(=O)(=O)N1CCC1)C1CCCC1	795293075	YGEJJMAMPSPBEL-UHFFFAOYSA-N	247.320	-0.252	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	854409039	GBOZMYYGUQUHMP-ZMONIFLSSA-N	214.221	-0.392	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C[C@@H]1CC(=O)N1	862499712	HTKOVLTWUCWFJL-QMMMGPOBSA-N	234.259	-0.466	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H]1COCCC1=O	862934685	SDVFKYJTDTYSQD-BNICOGTQSA-N	238.243	-0.095	50	10	BBGE	
O=C(CO)NN=C1CC[C@@H]2[C@H]3OCC[C@H]3[C@H]12	905458280	DSCOONCNRINXKX-JRPBRRGXSA-N	224.260	-0.104	50	10	BBGE	
CCNC(=O)NNC(=O)c1cn2c(n1)CCC2	1326655292	ZQVMSANQMNNEBS-UHFFFAOYSA-N	237.263	-0.207	50	10	BBGE	
C#CC(=O)NNC(=O)CNc1ccccc1OC	1457502615	RJOGAWZVZCUAKX-UHFFFAOYSA-N	247.254	-0.112	50	10	BBGE	
O=C(NCc1cc[nH]n1)c1cccc(B(O)O)c1	1464186196	WRIYZSJOXSDNEV-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
Cc1nc[nH]c1CC(=O)NNC(=O)N(C)C	1464539254	IBGVPMKRRPSUTB-UHFFFAOYSA-N	225.252	-0.437	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1nsnc1O	1637379706	HYDVQFGVPVGIEE-UHFFFAOYSA-N	247.305	-0.675	50	10	BBGE	
Cc1nccc(CCC(=O)NNc2nc[nH]n2)n1	1638767411	YIMBARMAWQYYMK-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
CC[C@H](C(=O)NNC(=O)c1ncon1)N(C)C	1648116735	YVSPVSBNRUPZMT-ZCFIWIBFSA-N	241.251	-0.829	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1CF	1885917854	WFKDEWUBVFORBE-SSDOTTSWSA-N	205.233	-0.963	50	10	BBGE	
C[C@H](COC[C@@H]1CCCO1)C(=O)NN	1888707828	MHZOEYGHACHJIU-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
C=C(CN(C)[C@@H](C)CN(C)C)B(O)O	1893428945	LZDCTZVGBLWGCR-VIFPVBQESA-N	200.091	-0.564	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C(C)C	1896025827	CPJBKLWOAFSRBG-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CCO[C@@H]2C1	1896178290	NBBPBJZQSBOYNV-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]1C1CCCC1	1897517218	ZSTNSEDHIGIMKO-IUCAKERBSA-N	225.292	-0.081	50	10	BBGE	
COCCOCCCO[C@H](C)CC(=O)NN	1900900532	LXJFNDYWJJBCTD-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
CN(NC(=O)c1cccc(N)c1)S(C)(=O)=O	1901339660	RBYZXINUDZBRKZ-UHFFFAOYSA-N	243.288	-0.195	50	10	BBGE	
CN(CCC#N)c1cc(B(O)O)c(F)cn1	1903006703	XDYOPJIOEWADRB-UHFFFAOYSA-N	223.016	-0.750	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)NN)C[C@@H](C)S1(=O)=O	1905136993	HJQGTLISHKYPDH-RNLVFQAGSA-N	249.336	-0.144	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250384	VYUCPZLDYJNJBX-LXUNUROVSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC=CC[C@@H]1CO	1909020109	YPJBUBZZERYLPT-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
CCCn1ccn(C[C@@H](C)C(=O)NN)c1=O	1912215196	HGUUKRWIVZCCGC-MRVPVSSYSA-N	226.280	-0.314	50	10	BBGE	
CCCOCC(=O)Nc1ncccc1B(O)O	1913667155	DWOZQLJENYYMBM-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC2(COC2)C1	1915566584	DQMIMCUFDKAPFY-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1COC1	1915650469	OBEIYGOUPJHREK-UHFFFAOYSA-N	226.236	-0.891	50	10	BBGE	
NNC(=O)CCCN1CC[C@@]2(CCC[C@@H]2O)C1	1918421452	NZDSSFNWGQBVMZ-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
Cn1ccc(C(=O)NNC(=O)C(F)(F)F)n1	1923383324	MMQGOSORAFXTLN-UHFFFAOYSA-N	236.153	-0.257	50	10	BBGE	
Cc1nc(SC[C@H]2C[C@H]2C(=O)NN)n[nH]1	1927918785	XHQGGZLRSWTHJC-PHDIDXHHSA-N	227.293	-0.169	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)C(=O)NN)CC12CC2	1930231148	HQQRSVAQPIDYID-JGVFFNPUSA-N	213.281	-0.524	50	10	BBGE	
COC[C@@H](NC(=O)[C@@H](C)CCl)C(N)=O	1932166346	SKANZKHZWSBEIQ-NTSWFWBYSA-N	222.672	-0.522	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1936079335	FJERDAYXPBIBLI-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NC1(C2CCOCC2)CC1	1936449708	FPXBVBRUFFEIDB-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@]1(CCl)CCOC1	1937145023	GIMYNJJKNNSPPQ-SECBINFHSA-N	244.682	-0.208	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)[C@H](C2CC2)C1	1937478316	XJVPXDRXFITILI-VHSXEESVSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(n2ccnc2)C1	1940891880	ODJBVEOPBSVMHL-UHFFFAOYSA-N	245.233	-0.635	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC(CCO)C1	1946933891	KSRFOKCKIMCYCT-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
COC1CC2(CC(CNC(=O)C(=O)NN)C2)C1	1951234343	FNWLQOUIBDYKJG-UHFFFAOYSA-N	241.291	-0.702	50	10	BBGE	
CN1CCN(C[C@H]2CC(=O)OC2=O)CC1	1951494929	WKQMYMJLVIHZRW-MRVPVSSYSA-N	212.249	-0.677	50	10	BBGE	
OC1CN([C@@H]2CCN(C[C@@H](O)CCl)C2)C1	1958217288	IKCSKOAMEPMVKX-BDAKNGLRSA-N	234.727	-0.663	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1958740533	AHYZZZWEKZGMSO-CIUDSAMLSA-N	212.297	-0.999	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnsn1	1960522276	VXKXKKZHFAXLJS-SSDOTTSWSA-N	229.309	-0.262	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H](C)C(=O)NN)[C@@H]1C	1961536284	JGVVDRDRIRINBC-XLPZGREQSA-N	213.281	-0.131	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCCC12CC2	1961988600	AZQMGFDIJDKDJE-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@@H](CF)CC1	1962442523	QGEJXLCYINISTE-KNVOCYPGSA-N	217.244	-0.379	50	10	BBGE	
COC1(CF)CN([C@@H](C)CCC(=O)NN)C1	1980375753	BPANZSSUSRLOAP-QMMMGPOBSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC1CC2(COC2)C1	1985544084	OCRODWHHZQCAHN-CBAPKCEASA-N	226.276	-0.192	50	10	BBGE	
Cc1ccnc(CN2CC(=O)OC(=O)C2)n1	1987175464	AAZHNLWGTIRXPZ-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCOC1	1990773967	CFCUEVUVGFENIZ-SECBINFHSA-N	229.280	-0.878	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)[C@@H]1CC(=O)NC1=O	1991705636	HHBOGGBPKLRIMX-WVSAJJKCSA-N	244.634	-0.819	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	2001471165	ZMQPJDRYBYYBTK-VQVTYTSYSA-N	247.245	-0.132	50	10	BBGE	
CC(C)N1CCN(C[C@@H](C)C(=O)NN)C(=O)C1	2004289105	KLVOTJQJBFKRDS-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
Cc1nc(Sc2ncccn2)ncc1B(O)O	2005007946	PDWOYJFDEBPDQZ-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CO[C@@]1(C)CCCN(CC(=O)NNC(C)=O)C1	2019209566	DUSDPWPWCYAFFA-NSHDSACASA-N	243.307	-0.345	50	10	BBGE	
Cc1c[nH]nc1C(=O)N[C@H]1CCC=C1B(O)O	2020057887	DGEZZEPWVJMIBP-QMMMGPOBSA-N	235.052	-0.451	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3C[C@@H]4C[C@H]4C3)(C1)C2	2023853265	LPOLNONVJJIMSR-QSFUFRPTSA-N	237.303	-0.523	50	10	BBGE	
CN1CC(N(C)Cc2ccc(C(=O)NN)cn2)C1	2028804335	IBESYSRHCQXUBE-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1cocn1	2031824433	KMNDMFLYKITTEL-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1nc(N2C3CCC2(C)CC3)ncc1B(O)O	2052553583	JCNMFIUPECFEEU-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
Cc1nc(-n2ccc(C(C)C)n2)ncc1B(O)O	2052600911	DDABTJANOZPRAT-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
CCN(OC)c1ccnc2cc(B(O)O)cnc12	2052627165	IFHNPKYTGKFQAG-UHFFFAOYSA-N	247.063	-0.303	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ncccc1B(O)O	2054287729	QJLFRAZBHDSURO-OWUUHHOZSA-N	248.091	-0.910	50	10	BBGE	
Cc1nc(N2C[C@@H]3CC[C@]3(C)C2)ncc1B(O)O	2087040418	HJEAHHUTBCHXPJ-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
N#Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccn1	2208732830	ZMLDYKSRDYYGMF-SECBINFHSA-N	245.047	-0.358	50	10	BBGE	
C=C[C@@H](CC)OCCOCC(=O)NN	2210037337	GOBRLGJRAHYKBX-QMMMGPOBSA-N	202.254	-0.026	50	10	BBGE	
CC[C@@H](OC[C@]1(C)COCCO1)C(=O)NN	2211982302	HODSFFSRGSNFJZ-SCZZXKLOSA-N	232.280	-0.423	50	10	BBGE	
CC[C@H](COc1ncccc1B(O)O)NC	2212605340	CEZDNXSAEWJASY-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
C#C[C@H](CCC)Nc1ncccc1B(O)O	2212611319	ZDTZGXPBFVIMPV-SECBINFHSA-N	218.065	-0.025	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN(CCO)CC1CC1	2215776039	KLDGEQJBYIMYMO-MNOVXSKESA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2CC3CC2C3)CCOCC1	2216872074	RBBIWBDXCZWDPR-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCOCC2)c1	2217178940	CRIOMLKWTOFZQI-JTQLQIEISA-N	236.080	-0.258	50	10	BBGE	
CC[C@@H](C)[C@@H](CN)Oc1ncccc1B(O)O	2217186086	FYPBVQVTKLQUKP-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
Cn1ccnc1CNc1ccc(B(O)O)cn1	2217198101	WOYKCCXXPLJJDL-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCNC1	2217198711	FJXHSBCMIQPKCG-BDAKNGLRSA-N	235.096	-0.829	50	10	BBGE	
C=C[C@H]1CN(c2cc(B(O)O)ccn2)CCO1	2217199116	KCPVZANZVHUKLQ-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
Cn1cnc(CNc2cc(B(O)O)ccn2)c1	2217203294	SFKJJTAHPVYKFL-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OB(O)c1cccc(CN2CC(C3CNC3)C2)c1	2220071320	JWQDSDOEUCVXRN-UHFFFAOYSA-N	246.119	-0.982	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN[C@@H]2CC[C@H]21	2223642202	GPSQJZBGSMNKQY-FBIMIBRVSA-N	247.107	-0.686	50	10	BBGE	
CCc1nn(C)cc1Nc1ncc(B(O)O)cn1	2223652875	MQJHRMMIBRAOED-UHFFFAOYSA-N	247.067	-0.804	50	10	BBGE	
C[C@]12CNC[C@@]1(COc1cc(B(O)O)ccn1)C2	2223662761	VFXGXWFRYKSCAX-NWDGAFQWSA-N	248.091	-0.860	50	10	BBGE	
CCC1(N)CCN(c2ncccc2B(O)O)CC1	2223673411	XTNUIWILEKPFMX-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)C(F)F	2241468197	IWWBCIDSZZBXFN-YFKPBYRVSA-N	204.969	-0.838	50	10	BBGE	
CC(C)(CF)CNC(=O)C#CB(O)O	2241479291	VRXQGRCDTITLBS-UHFFFAOYSA-N	201.006	-0.886	50	10	BBGE	
O=C(Nc1nccs1)[C@H]1C[C@@H]1B(O)O	2241481683	XJJFTDVEIHZNLP-WHFBIAKZSA-N	212.039	-0.056	50	10	BBGE	
CN(C[C@@H]1CC12CCC2)C(=O)C#CB(O)O	2243361662	FFLZMCBPMYKKBM-VIFPVBQESA-N	221.065	-0.350	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccoc1B(O)O	2243362101	MDONVJLGOCTHEO-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
C#CC[C@H](NC(=O)C1(B(O)O)CC1)C1CC1	2243363141	BPOQPPPNMIRSSD-VIFPVBQESA-N	221.065	-0.089	50	10	BBGE	
C[C@H](N)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363419	GNVRNFPLLHTDHO-YUMQZZPRSA-N	226.085	-0.811	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2243365201	JFQOHYGJYILMHA-HTQZYQBOSA-N	227.069	-0.635	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2243390836	BZFVGFQAIMPMLH-AFPNSQJFSA-N	227.069	-0.513	50	10	BBGE	
Cc1cc(C)nc(NC(=O)C#CB(O)O)n1	2243400433	AXPJGEJSJDHHAA-UHFFFAOYSA-N	219.009	-0.953	50	10	BBGE	
C#CCN(CC#N)C(=O)C1CC(B(O)O)C1	2243413142	ACQACPSWNHDPIJ-UHFFFAOYSA-N	220.037	-0.775	50	10	BBGE	
CN(CCCCCN)C(=O)[C@H]1C[C@H]1B(O)O	2243419718	FOYDPTQPVSRCNP-DTWKUNHWSA-N	228.101	-0.563	50	10	BBGE	
Cc1noc(CN2CCC(B(O)O)CC2)n1	2244180467	NQDQMZXNQFCDHS-UHFFFAOYSA-N	225.057	-0.183	50	10	BBGE	
O=C(Nc1ccns1)c1cocc1B(O)O	2244216086	HHBPMBQRTCRCHR-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CN1CC2(CCN(C(=O)NN)CC2)CC1=O	2244939441	OTSGSMDWTPFGLC-UHFFFAOYSA-N	226.280	-0.486	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]2CF)ncc1Cl	2245913764	XRLADSMXLGPBFM-ZCFIWIBFSA-N	244.462	-0.037	50	10	BBGE	
O=C1C[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CO1	2246288047	AOCURXHXSAJENA-VQVTYTSYSA-N	225.200	-0.782	50	10	BBGE	
O=C(Nc1nccc(F)n1)C1(B(O)O)CCC1	2247721941	JEPGYXIETIBVBS-UHFFFAOYSA-N	239.015	-0.049	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C#CB(O)O)OC1	2247743906	LCHBQFKJMXQFDZ-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CC1(C)CCO[C@H](CNC(=O)C#CB(O)O)C1	2247747432	NIYIHZHIDXCJBD-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CCON(C)C(=O)c1ccc(F)cc1B(O)O	2247752884	XOCCWNOWQPDFSK-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1occc1B(O)O	2247753882	APJCJTQVLRGEJV-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1occc1B(O)O	2247753960	KPYRWRLORFPESY-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)no1	2247792860	VIIYPWKQEPSBJA-LJGSYFOKSA-N	239.040	-0.753	50	10	BBGE	
CCc1ncncc1NC(=O)[C@H]1C[C@H]1B(O)O	2247797219	HHBGHULIHGPASB-NKWVEPMBSA-N	235.052	-0.160	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C[C@@H](C)O	2247805011	AEXAIPKBFKDYCF-JXUBOQSCSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@]1(C)O	2247810700	ZJOXOZJFRSKKOE-CDLYGTGVSA-N	241.096	-0.531	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2COCC[C@@H]21	2247848819	QVHNOOSVLRZCGT-ZJUUUORDSA-N	237.064	-0.971	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H](O)CC12CCC2	2247855684	WRZYFRYHVKKHDQ-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)C1(B(O)O)CCC1	2247857129	QXDZTAMPXJUZAD-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
CC1(C)CC(CO)(NC(=O)C2(B(O)O)CC2)C1	2247871709	GNMWZYBTHSURQA-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
CCN(C)C(=O)c1ccc(OC)c(B(O)O)c1	2247875680	AJUOURHRMYPYSM-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
CCCCN(C)C(=O)c1nccnc1B(O)O	2248064723	YPSUAQUHHSFXJS-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248587714	TVFSTJGENDBMOD-GJMOJQLCSA-N	243.068	-0.678	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1cocc1B(O)O	2249423387	JLSQHYPECXLGEY-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2249603238	IEJBHSUWDDESGA-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
CCC1(Oc2ncc(C)cc2B(O)O)COC1	2250792648	WIBGFDXQIGGRIB-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2251031830	YJXGBTJEVDIFEV-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCn1cccn1	2254026531	ADNZLPHYSIXPSK-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1ccoc1B(O)O	2255467890	SQGPFODRQFLFDV-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ccc(B(O)O)cn1	2255517090	ABCZJYHLGLFJEZ-LBPRGKRZSA-N	248.091	-0.320	50	10	BBGE	
C#CCCCCNC(=O)c1ccc(B(O)O)cn1	2255519281	VQDRWMWJVUYPGC-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC[C@@H]2C[C@H]21	2255523453	RUXQYMWMFWCYBF-PSASIEDQSA-N	246.075	-0.614	50	10	BBGE	
O=C(NCCC1=CCCC1)c1cc(B(O)O)c[nH]1	2255670886	JPRLRUVJUUHMLD-UHFFFAOYSA-N	248.091	-0.075	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1ncccn1	2255677630	JVCFVDIXEAQWAJ-AFPNSQJFSA-N	249.079	-0.093	50	10	BBGE	
Cc1ccoc1CNC(=O)c1ccoc1B(O)O	2255678643	HPZSNNCNRWKGRZ-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2255716895	VJDVFCHYVMXICE-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2255716944	VYCJWNWTJRIPEB-NQMVMOMDSA-N	248.091	-0.464	50	10	BBGE	
CCC1(NC(=O)c2ncncc2B(O)O)CCC1	2255730818	UOHJEXATMUXFFM-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@]2(O)C[C@H]2C1	2298256234	MJHYASQBTCFVKD-QFOLPQNPSA-N	239.319	-0.541	50	10	BBGE	
NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376453	XAGATAZGOQECRY-OPRDCNLKSA-N	240.112	-0.421	50	10	BBGE	
O=C(N1C[C@@]2(CO)CC[C@H]1C2)C1(B(O)O)CC1	2299774244	BFYFLLDBHBTHPP-WCBMZHEXSA-N	239.080	-0.633	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2300391671	XFFXDXQALNKUED-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2310663359	YCXDTUPRXLELIG-FGGBMERFSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3CNC[C@@H]2C3)nc1	2312613966	UQTWMTZJAQXFOL-QXEWZRGKSA-N	247.107	-0.829	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1C[C@H]1N	2317307252	ZHRKOHNVBSFXSX-VIRWGQHYSA-N	249.075	-0.707	50	10	BBGE	
C[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)NN	62053655	MXQQLTYIWYNVNL-ZETCQYMHSA-N	239.250	-0.137	50	10	BBGE	
COCCOC[C@H]1CC[C@@H](C(=O)NN)O1	82463660	CQGMQSFTULGREG-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)[C@H](CC)C1	82485343	QMVSRVNIBDTXFF-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@@](C)(O)CO	85254660	RZVUEXCIFRMFCM-POYBYMJQSA-N	209.673	-0.279	50	10	BBGE	
CN1CCC[C@H]2CN(CC(=O)NN)CC[C@@H]21	88091358	YBNXKORQRVLKNT-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@@H](C)CC(=O)NN	110597691	XBMZRUBAFNVTDO-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCC[C@@H]1O	157203283	HQMXSSHPYOLEHZ-UWVGGRQHSA-N	243.307	-0.611	50	10	BBGE	
CSCC(=O)NNC(=O)CN(C)C	172159873	PNKVBXTYAGUSSL-UHFFFAOYSA-N	205.283	-0.942	50	10	BBGE	
COC(=O)[C@@H](Br)[C@H](O)C(=O)OC	196631342	XYDORVLTGSLFMB-IMJSIDKUSA-N	241.037	-0.543	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1CCCO1	197957744	XMXXODBPHYPOFX-SECBINFHSA-N	222.049	-0.076	50	10	BBGE	
N[C@@H]1NC(=O)NC[C@@H]1I	201361932	FFHQZGHBRVVMIG-STHAYSLISA-N	241.032	-0.612	50	10	BBGE	
CCCN(CCO)C[C@@H]1CC[C@@H](C(=O)NN)O1	223103030	UHWTZSYWCDLZHC-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc(C)nc1C	232421069	SWIMNZRZMUDXME-ZETCQYMHSA-N	213.241	-0.928	50	10	BBGE	
COC[C@H](S[C@@H](C)CN)C(=O)NN	232421679	PODNNPSRWNNELJ-WDSKDSINSA-N	207.299	-0.928	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)C(=O)O	238419946	KIVZWFGTMLCIKH-GSVOUGTGSA-N	208.601	-0.476	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]([C@H](C)O)C1	252785084	UPPAQKOHQFWUBA-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H]1CCO	304553868	MQPMHKPRWIBJDW-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
CNc1snc(C)c1C(=O)NNC=O	306270423	OKUFDGVWZLFQAC-UHFFFAOYSA-N	214.250	-0.116	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@H]1O	306902910	RCVHATBUWWMVQF-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
Nc1ccc(O)c2sc(B(O)O)cc12	307496086	NDFWDHFBPHSVAC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(C(=O)CCCl)C1	309054477	SBQHTKHWOZZUCH-SECBINFHSA-N	234.683	-0.546	50	10	BBGE	
CCCN([C@H]1CCOC1)[C@@H](COC)C(=O)NN	310483371	DIVXOLDZMZXQFX-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)C[C@@H]1O	316122244	LRJIQTTUOSEPFV-IUCAKERBSA-N	223.700	-0.473	50	10	BBGE	
CCOCCCNC(=S)NNC=O	379377394	XKZYGOSRTLEXBG-UHFFFAOYSA-N	205.283	-0.462	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C(=O)NN)C(C)C	381565375	SEZMITWUYXSASL-VIFPVBQESA-N	230.312	-0.802	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382961168	ONSOOXGWOIPNGS-SFYZADRCSA-N	233.312	-0.918	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(O)(C2CC2)C1	384137475	MOOUBHOLGABNBG-VIFPVBQESA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](O)CN=c1[nH]c(CCl)nc(=N)[nH]1	389629537	LSGJWPDLNKNSPU-YFKPBYRVSA-N	231.687	-0.372	50	10	BBGE	
O=c1ccc(F)cn1Cc1ccc(B(O)O)cc1	395747221	AONJDOOTSDWDEL-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C[C@H](C)C(=O)NN)C1	401536246	KMCXRKQTSQSJAB-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](CO)(OC)C1	402627992	XZUQMGQEYZDIKP-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1[C@H]2CCC[C@H]21	405002725	MYQXWJWHPBFQLH-JZYVYDRUSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)C[S@@](=O)CCN1CCCCC1	526893756	ZUWRGOWVXFBGKC-HNNXBMFYSA-N	233.337	-0.789	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1cccc(B(O)O)c1F	690165067	JYCKQXLBKYBXJS-LURJTMIESA-N	241.027	-0.521	50	10	BBGE	
Cc1nnc(COc2cccc(B(O)O)c2)n1C	708568878	FANYKCDQNQRVGF-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCCOCn1nc(C)c(B(O)O)c1C	709762365	BNKITTKIEDOXCR-UHFFFAOYSA-N	212.058	-0.436	50	10	BBGE	
CO[C@@H](C)C(=O)N1Cc2cccc(B(O)O)c2C1	713176763	AHUGCXJNEDKFFS-QMMMGPOBSA-N	249.075	-0.757	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H](C1)N2C)C(=O)NN	723698224	WIQMOOMYVPMBSQ-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@H]1CCCS1	819669374	HUVNSHDECOQQSL-ZCFIWIBFSA-N	231.277	-0.338	50	10	BBGE	
CN1C[C@@H](C(=O)NN(C)c2ccccn2)NC1=O	862747374	SQULPWDQYIELOT-QMMMGPOBSA-N	249.274	-0.427	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cc(CO)on1	1135554879	AKCDTYGPTRWJET-UHFFFAOYSA-N	227.220	-0.416	50	10	BBGE	
CCN(CCO)CC(=O)NNC(=O)C(C)C	1167318821	VFGHOIWQNVAIEL-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](O)C1CCC1	1464484951	MYBXWSCUAIBBLC-SSDOTTSWSA-N	215.253	-0.502	50	10	BBGE	
C#CCNCC(=O)NC[C@@H]1C[C@H]1Cl	1883551218	IRRDYHMPMDISHH-JGVFFNPUSA-N	200.669	-0.047	50	10	BBGE	
C[C@H](NC(N)=O)c1cc(B(O)O)cs1	1884964292	ACOUDUKBHDECRT-BYPYZUCNSA-N	214.055	-0.843	50	10	BBGE	
COC[C@H](OC(CF)CF)C(=O)NN	1886033892	SJXAQHRTXZWZIU-LURJTMIESA-N	212.196	-0.685	50	10	BBGE	
C[C@@H](NC(=O)F)c1nscc1B(O)O	1887173769	QKOLHDWVJVBWAA-GSVOUGTGSA-N	218.018	-0.437	50	10	BBGE	
NNC(=O)CN1CC[C@@](F)(C(F)F)C1	1887702004	SDCJGHHPUBDLEO-ZETCQYMHSA-N	211.187	-0.345	50	10	BBGE	
C#CCOC(=O)NN(C)S(=O)(=O)CC	1888562212	RACOPFZHYXTJHB-UHFFFAOYSA-N	220.250	-0.458	50	10	BBGE	
C[C@@H](Cl)CC(=O)NN(C)S(C)(=O)=O	1888563337	KIFQKVYONHNRKP-RXMQYKEDSA-N	228.701	-0.074	50	10	BBGE	
CN(Cc1ccon1)C[C@@H]1C[C@H]1C(=O)NN	1894357200	LCWCQVMKPNFCAK-IONNQARKSA-N	224.264	-0.268	50	10	BBGE	
COc1cncc(OC)c1[C@@H](N)[C@@H](O)C#N	1894483893	LXJLYALSOIIQPT-WKEGUHRASA-N	223.232	-0.017	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1CCCC(=O)NN	1895121626	LZFIHMBZNSVOIC-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CN1CCO[C@@H]2CCN(C[C@H](O)CCl)C[C@@H]21	1896221869	UAPSIXNVYVAVKA-OUAUKWLOSA-N	248.754	-0.009	50	10	BBGE	
C[C@H](CN)SC[C@@H]1CCC[C@H](C(=O)NN)O1	1896929554	PDABBFSZNFTRAO-HRDYMLBCSA-N	247.364	-0.006	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C(C)=CCN	1901378347	ZFBMMKQTZQZQOF-UHFFFAOYSA-N	249.336	-0.406	50	10	BBGE	
CC(C)C1CN(Cc2nc(B(O)O)cs2)C1	1902640524	FJDOBCQEMVHLDH-UHFFFAOYSA-N	240.137	-0.089	50	10	BBGE	
CCN(CC(N)=O)C[C@@](C)(CC)C(=O)NN	1902716141	OKSNTNQWNZYKJN-SNVBAGLBSA-N	230.312	-0.800	50	10	BBGE	
CC(C)(CCN1C[C@@H](F)[C@H](CO)C1)C(=O)NN	1907660505	XQQCYGHZUULJQE-DTWKUNHWSA-N	247.314	-0.345	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CCC[C@@H]32)c1B(O)O	1908819660	SVCRSAIHCYZIAC-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2COCCN2)CC1	1917113153	UZKSISKHHUIDNH-JTQLQIEISA-N	221.260	-0.343	50	10	BBGE	
NNC(=O)CCCN1CC[C@]2(CCC[C@@H]2O)C1	1918421451	NZDSSFNWGQBVMZ-CMPLNLGQSA-N	241.335	-0.007	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1NC(=O)NC(=O)CCl	1922127533	ATRPANATMABCCT-RQJHMYQMSA-N	249.698	-0.620	50	10	BBGE	
OB(O)CNCc1cnnn1Cc1ccccc1	1923810507	IOHZCNQHPKLZNN-UHFFFAOYSA-N	246.079	-0.572	50	10	BBGE	
NNC(=O)c1cc(CN2CCC2=O)on1	1928993139	ZGKUALSJQGZUPS-UHFFFAOYSA-N	210.193	-0.990	50	10	BBGE	
C[C@H]1CCOCCN1[C@@H](C)C(=O)NN	1929658492	ALERKDUNOZLAHJ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(C)(C)CO	1931081049	UXZOCGQVDQBGBY-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)CC1	1931260132	GCMXEYCQLNXNOX-UHFFFAOYSA-N	212.297	-0.996	50	10	BBGE	
COC[C@H](N=c1[nH]nc(CCl)o1)C(N)=O	1932161510	JXTOQJZXXBJSAI-BYPYZUCNSA-N	234.643	-0.858	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)CC1(C(=O)NN)CC1	1938233355	PUUPUGLHWIZTBI-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1CO	1938248343	FCAQMCFUZNWYBM-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
CN(C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941070281	ASXXZGMNXJRHRF-GARJFASQSA-N	240.351	-0.504	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H](C)CN(C)C	1941089539	KODVJGQRAMRSRR-VWYCJHECSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN2CCC1CC2	1941094082	KHKVXTQQJFKJDH-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H]2CO)nc1	1944079685	HFAWDVBJRBDSNS-JTQLQIEISA-N	236.275	-0.748	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNC[C@H](O)C2)CC1	1949631800	REVIUWKUMKMNER-WDEREUQCSA-N	235.287	-0.361	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CN2CC[C@H]1C2	1954394637	XISSIEKXKVVUMC-NKWVEPMBSA-N	224.713	-0.194	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(CC(=O)NN)C1	1955030207	OWSLDFPHNJQYCM-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CN(C)NC1=O	1955559440	QHRAGDLVXQIBDM-WDSKDSINSA-N	219.672	-0.535	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H](O)C1	1956714772	YDFJCNIHOCNKFV-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
Cc1ncc(C(=O)NNC(N)=S)n1C	1956923897	UVXJCPQVWTUFSC-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NN)C[C@@H]1C	1957358520	IOYIXSYXIJMCET-YUMQZZPRSA-N	201.270	-0.809	50	10	BBGE	
Cn1[nH]nnc1=NCC[C@@H]1COC[C@H]1Cl	1960669442	HNNYFFMMVOJMII-RNFRBKRXSA-N	231.687	-0.312	50	10	BBGE	
C[C@H](CN1CCN(C)[C@H]2C[C@H]21)C(=O)NN	1960968096	RYNKQQMEHXUMOA-HRDYMLBCSA-N	212.297	-0.999	50	10	BBGE	
Cc1ncnc(OCC(C)C)c1B(O)O	1961693799	DVTKZVQSXRUKCA-UHFFFAOYSA-N	210.042	-0.500	50	10	BBGE	
CCCOCCC(=O)N1CC[C@@H](B(O)O)C1	1972415793	XFXLOWVUDCVZIP-SECBINFHSA-N	229.085	-0.122	50	10	BBGE	
CC[C@@]1(C)CCN1[C@@H](COC)C(=O)NN	1974731582	CUMJLMAWNMOBHM-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)CCF)CC1	1974869554	UTNNSOFLAXCJCZ-UHFFFAOYSA-N	236.268	-0.364	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCN(C)[C@H]2C1	1976008308	ZYYKOOKFORLFDO-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](C)C1CC1	1978614701	PKFHGWNEZVKMIG-SCZZXKLOSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CCCC[C@H]21	1980829201	UVSCJZHLACNDTQ-SFYZADRCSA-N	243.332	-0.137	50	10	BBGE	
CCCC1CN(c2ncncc2B(O)O)C1	1981414037	NFLQXFMPTLVGLT-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
CC1(CF)CN(c2ccc(B(O)O)cn2)C1	1984009782	OOQVYQQIDISYEG-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
Cn1cc(C(=O)NNCCO)c(C(F)F)n1	1984201298	LTQRUJFQLOQHFR-UHFFFAOYSA-N	234.206	-0.416	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCCc2nccn21	1986970835	PXNOFQCBFYKWIF-LURJTMIESA-N	239.304	-0.375	50	10	BBGE	
O=C(CN1CCCCC1)NCC=CB(O)O	1991331481	PHDHIHOHMAZQJF-UHFFFAOYSA-N	226.085	-0.843	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1COCC1(F)F	1991601839	HSQLNAYYMHOKIL-BYPYZUCNSA-N	246.160	-0.338	50	10	BBGE	
Cn1[nH]c(CNC(=O)C=CC(=O)Cl)cc1=O	1991647403	CZTSCHOGBZAOJS-UHFFFAOYSA-N	243.650	-0.349	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1C#N	1991713796	XOKKYJZYKDEKPY-SGJFDWMWSA-N	241.678	-0.026	50	10	BBGE	
CCN(OC)C(=O)c1ccccc1B(O)O	1992837484	YUAGZTWMOMXPMW-UHFFFAOYSA-N	223.037	-0.610	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2C[C@@H]2C)n1	1993081367	PRMUZOKFFMUEKF-XPUUQOCRSA-N	222.053	-0.500	50	10	BBGE	
COCCO[C@H]1CCCN([C@H](C)C(=O)NN)C1	1996761700	OVICAHLNTGXHEE-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@]1(CC)CO	2003263926	CPXDBWSCVSTISS-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1[C@H](C)CC(=O)NN	2003813531	OTAGQZRYYPCYLY-PSASIEDQSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]([C@H]2CCCCO2)C1	2004402182	NMHUORIZPAZFMW-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(CCO3)C2)n1	2004491466	UTAWVWRREJBZAH-UHFFFAOYSA-N	238.247	-0.747	50	10	BBGE	
C[C@@H]1OCCN(c2ncccc2B(O)O)[C@@H]1C	2004935230	LWZSVONWWMOSTA-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CC(C)(C)OCCn1cc(B(O)O)ccc1=O	2008840419	MAQKPFVHTQUOAP-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012017159	RYUXIAYRYBAETG-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@@H]2C2CC2)CC1	2014006140	JKSRZUDMWFSGJE-ZJUUUORDSA-N	239.319	-0.398	50	10	BBGE	
COC[C@]1(C)CCN(CC(=O)NNC(C)=O)C1	2019214463	YQZMCCFPQYQYFO-LLVKDONJSA-N	243.307	-0.488	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(OCCCO)C1	2026045324	QEVQDBLYCBDGRA-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
CC1(C)CC2(CN(c3ncncc3B(O)O)C2)C1	2052472529	RRSBFLKOQGIINA-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cnccc1N1CCN2CCC[C@@H]2C1	2052486755	HXLXLNHTUZJWRU-SNVBAGLBSA-N	247.107	-0.954	50	10	BBGE	
Cc1cnc(N2C[C@H]3CO[C@@H](C3)C2)c(B(O)O)c1	2052621406	GUONCTZWHUAPLQ-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2c1ccncc1B(O)O	2058058931	GPHVTFIHTYTDSM-GGZOMVNGSA-N	248.091	-0.625	50	10	BBGE	
COc1c(B(O)O)c(C)nn1Cc1ccccc1	2059985636	ZIHYIBGWUJJTOS-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
COc1c(Cl)ccc(C#N)c1B(O)O	2060109849	CZBICGIFKKACLH-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
N#Cc1cc(B(O)O)c([N+](=O)[O-])cc1F	2060186375	MNNYCPBKMVCCAD-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
OB(O)c1ccn(Cc2ccn(C3CCC3)n2)n1	2066683333	QOFKDOQMUPWWRK-UHFFFAOYSA-N	246.079	-0.467	50	10	BBGE	
CC(C)(C)n1ccnc1Cn1cc(B(O)O)cn1	2069379018	CFBIHPAWDFXMJX-UHFFFAOYSA-N	248.095	-0.437	50	10	BBGE	
O=c1c(B(O)O)cccn1CC12CCC(CC1)O2	2071776223	YRDTYQMTZUZAHS-UHFFFAOYSA-N	249.075	-0.760	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1B(O)O	2079012461	UJQCZUVPWKTAPG-GDGBQDQQSA-N	245.087	-0.105	50	10	BBGE	
Cc1ccnn(Cc2ccc(B(O)O)cc2)c1=O	2084716318	CAAINDGMKHJGCM-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C[C@@H](F)C1	2210691404	FQJOIMNHYKJMRH-RBXMUDONSA-N	233.287	-0.594	50	10	BBGE	
OB(O)C1CCN(Cc2ccncn2)CC1	2211856803	NZRGDSBSXYNBKE-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3C[C@@H]3C2)c1	2212600697	FLKQELDEJQVRJO-MBTKJCJQSA-N	218.065	-0.028	50	10	BBGE	
COCC[C@H](C)Nc1cc(B(O)O)ccn1	2212610583	LFPYWJUJOFSOJK-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@H]2CF)c1	2212610767	OPDYVOYDERQCPR-JGVFFNPUSA-N	224.044	-0.221	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC23CCC3)nc1	2212614394	CNZIFDWOYXCUFF-QMMMGPOBSA-N	219.053	-0.489	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(CC(=O)NNC(C)=O)C2	2216681270	LNSWOQKPLDSDTL-KOLCDFICSA-N	241.291	-0.736	50	10	BBGE	
C=CC1(NC(=O)c2ccccc2B(O)O)CC1	2217051314	LEXPFEKAHFOPSM-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
CCCc1nccn1-c1cc(B(O)O)ccn1	2217170656	URBAVWHSNUVYNH-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC=C[C@H]2C3)c1	2217175046	CJCUMWZFBTXAEA-ONGXEEELSA-N	230.076	-0.084	50	10	BBGE	
CC(C)N(CCC#N)c1ncccc1B(O)O	2217178285	UCHJNVSQJGDNDB-UHFFFAOYSA-N	233.080	-0.110	50	10	BBGE	
CCC[C@@](C)(CO)Nc1ccc(B(O)O)cn1	2217178290	UDVCSKMCOYYLHG-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
C[C@H]1C[C@@H]1NCCOc1ccc(B(O)O)cn1	2217182754	CKBKTTXWIGNDBB-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
C#CCN(CC(F)F)c1ccc(B(O)O)cn1	2217183736	NODIQSMNLWPWJP-UHFFFAOYSA-N	240.018	-0.534	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)C(C)(C)O	2217185368	WBEZZNMPNMACKJ-LURJTMIESA-N	242.059	-0.528	50	10	BBGE	
CNCCCCOc1nccc(B(O)O)c1F	2217193494	NKIHMHHWCWOLJQ-UHFFFAOYSA-N	242.059	-0.721	50	10	BBGE	
CC(C)C[C@H](CO)Nc1cc(B(O)O)ccn1	2217198178	XRKCBIGXSQCQKT-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(NC[C@H](O)C(F)(F)F)c1	2217198336	ZUBMANZLFKDVBU-LURJTMIESA-N	249.985	-0.904	50	10	BBGE	
C#CC[C@@H]1CCN(c2ncccc2B(O)O)C1	2217199533	DBOKACIIQBCWFO-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncco1	2217199991	QDASWJTUCBCHPP-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1[C@@H]2CNC[C@@H]21	2220053247	CEZJJWDUXAYAST-ITGUQSILSA-N	246.119	-0.984	50	10	BBGE	
C[C@@H]1CCNCCN1Cc1cccc(B(O)O)c1	2220054633	WNQCRUPGKJTICK-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1c1ccc(B(O)O)cn1	2222178416	DNTSWWHKXYAACF-ZJUUUORDSA-N	249.123	-0.710	50	10	BBGE	
C[C@]12C[C@](CNc3cc(B(O)O)ccn3)(CO1)C2	2223634111	GBEMCRGAUKZIDM-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(c2ccc(B(O)O)cn2)C1	2223671411	LOLVUOLFJUKMJS-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
CC1(C)C[C@H](N)CCN1c1ncccc1B(O)O	2223674340	KFYSHGYWSUOEBM-SECBINFHSA-N	249.123	-0.533	50	10	BBGE	
C=C[C@]1(O)CCCN(c2cc(B(O)O)ccn2)C1	2223678305	ZXDUZBWUACQTBK-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CC(CO)C1	2241347587	CVVGQKGEQKLOAK-UHFFFAOYSA-N	240.712	-0.922	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1csnc1B(O)O	2243377987	KUDULEVEMREONK-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
COC1(CNC(=O)C2(B(O)O)CCC2)CC1	2243397690	HLKNHZJNXPLLBQ-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
CS[C@H]1CCCN(C(=O)C#CB(O)O)CC1	2243399962	SYHSKUVEZSXOCD-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
CC(F)(F)CNC(=O)c1sccc1B(O)O	2243408361	LVRAFLJNGVJUCT-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
C[C@H](CCO)CCNC(=O)C1(B(O)O)CC1	2243410625	FJFOFMAVURKPGC-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
CC[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2243411463	UKIHDWJXIJXCGQ-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
O=C(NCCc1cncs1)[C@H]1C[C@@H]1B(O)O	2243427051	PNBWHOLHOKKXSC-YUMQZZPRSA-N	240.093	-0.335	50	10	BBGE	
CC(C)(F)C(=O)Nc1cccc(B(O)O)n1	2243684811	HJNWCOBIDPSLNN-UHFFFAOYSA-N	226.016	-0.552	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1csc(B(O)O)c1	2244146770	JFVQYDRFQMWLGF-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
COC[C@H](CCNC(=O)C#CB(O)O)C(C)C	2247740077	FTSWSFNTGDBYLS-JTQLQIEISA-N	241.096	-0.573	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1ccoc1B(O)O	2247740639	NLLTYHMSSAVLLA-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(F)c1B(O)O	2247755256	CCEPKWOGTFGUBY-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@H]21)C1(B(O)O)CCC1	2247755639	QKHPGLKHARSJQS-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cn1C	2247762693	GLFZUEKGJSEZEH-APPZFPTMSA-N	236.080	-0.767	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247784783	AKXCXMGLKWTFJD-AEJSXWLSSA-N	243.112	-0.285	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790057	FIORRPJHHAVOAA-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2247791208	LQZFCDJKOLABAN-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@@H](O)CC1	2247793655	ZDWOXQZGJXWVOT-KXUCPTDWSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2COCC[C@H]21	2247800570	QFLMZCDNMHXKAA-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1nc[nH]n1	2247809221	YHZZRFBOEAHWJH-GRQBKTHUSA-N	238.056	-0.765	50	10	BBGE	
CC[C@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2247846631	JUJMEXRSRQWDTB-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
N#CCCN(CC1CCC1)C(=O)C#CB(O)O	2247849199	WYNNYHZVFBMMLB-UHFFFAOYSA-N	234.064	-0.456	50	10	BBGE	
C=CCN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247854407	CEVUACYMQLRLNB-UWVGGRQHSA-N	238.096	-0.821	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CC[C@@H](O)CC1	2247887485	OQMSUTIAPNULMX-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2247888076	VPPLGMQXDRLQKH-VVULQXIFSA-N	239.080	-0.372	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247891899	PZBZDTMOYKOWPY-HACHORDNSA-N	241.096	-0.219	50	10	BBGE	
C[C@]1(O)CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247898628	GJGQUBXSFIEYBL-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@H]1C[C@H]1B(O)O	2247899922	RKMJTIIISHWKRJ-RHXAFLQPSA-N	235.092	-0.133	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248574590	SYUWLHMFJDBHOS-RNJXMRFFSA-N	243.068	-0.535	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1cocc1B(O)O	2249433537	NMMJAIHYRUIXOG-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NCCC#CB(O)O)O1	2250006450	LMVWODDEXANAIS-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@H]21)C1(B(O)O)CC1	2251689646	ICNABPKGRSYIEC-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
Cc1nccnc1C(=O)N[C@H]1CCC=C1B(O)O	2254369360	XRDWMPQMNHTYTO-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1C[C@H]2C[C@@H]2C1	2255445242	SSEJEISPLICPTD-HTQZYQBOSA-N	249.075	-0.204	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)c2cccnc2O1	2255472942	ITAIPXPIXFZOCK-MRVPVSSYSA-N	246.031	-0.789	50	10	BBGE	
CNCc1cccc(CNC(=O)C#CB(O)O)c1	2255476884	RFJGHURRMADTQT-UHFFFAOYSA-N	246.075	-0.962	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)n[nH]1	2255551639	AEBZJUZFTNKBQH-SFYZADRCSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2255670152	CYGVCDZAEUKEFG-CNABLZDZSA-N	246.075	-0.825	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ncncc1B(O)O	2255686338	PVUACTGRGNYMFQ-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
C=C1CC(N(C)C(=O)c2ncccc2B(O)O)C1	2255716840	GISOPQKCNHUAFZ-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(F)c(B(O)O)c1	2255723297	ANLFHBYOMQCVPP-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C=CC1CCN(C(=O)c2cc(B(O)O)n[nH]2)CC1	2255761730	KOBZRMJTMFUORX-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2255785289	SSKSOOPBRMNEAJ-XPCMNFHVSA-N	247.103	-0.182	50	10	BBGE	
O=C(NCCC1CC1)c1ccc(B(O)O)cc1O	2255951536	GVWSQRYSISWHFG-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)CC1COC1	2257565617	SMFHAZYRPPNFBX-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CCC[C@@H]21	2258129869	ZCBYSEPORAJFIU-KCJUWKMLSA-N	249.075	-0.026	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2298374600	CECWLGVDXYASPK-VGBILLHSSA-N	233.076	-0.447	50	10	BBGE	
O=Cc1ccc(N2CCCCO2)cc1B(O)O	2301449874	AMFSKRALXXCUHB-UHFFFAOYSA-N	235.048	-0.289	50	10	BBGE	
CCOC(=O)CCC(=O)N1CC[C@@H](B(O)O)C1	2303107839	BZJYKAWWNREUCR-MRVPVSSYSA-N	243.068	-0.595	50	10	BBGE	
CC1(C)[C@@H](N)CCN1c1ncccc1B(O)O	2307197415	PSSFKEUVDHBHMA-VIFPVBQESA-N	235.096	-0.923	50	10	BBGE	
C/C(=C/C(=O)Nc1ccc(B(O)O)cc1)C(=O)O	2314008538	FFLBTFNRJAAFNI-SREVYHEPSA-N	249.031	-0.664	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN[C@H](C)C(=O)O	2324510237	FLFIXTCBJBEQFT-SSDOTTSWSA-N	225.248	-0.019	50	10	BBGE	
CC(C)N1CCN(C[C@H](C)C(=O)NN)CC1	82467869	XXHDAFIVULARKF-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CN(C)CCN1C	82669069	JYVWSBRMJPVRDG-IUCAKERBSA-N	233.743	-0.024	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C(=O)NN)C[C@@H]1C	82847383	JXLMRJYIEUESHJ-FXQIFTODSA-N	213.281	-0.083	50	10	BBGE	
CN(C)[C@H]1CCCN(CCC(=O)NN)C1	84421000	UWCQUNKWUTXNCC-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COc1ccc(C(=O)NNC(N)=O)cc1O	86722992	HWUVPQILJHMYRT-UHFFFAOYSA-N	225.204	-0.286	50	10	BBGE	
NNC(=O)c1ccccc1CN1CCOCC1=O	93226297	JOCLZNAICYKVFQ-UHFFFAOYSA-N	249.270	-0.351	50	10	BBGE	
CC(C)(C)n1nnnc1-c1ccccc1B(O)O	195942224	CYPDJVJMGNAVIQ-UHFFFAOYSA-N	246.079	-0.225	50	10	BBGE	
N#Cc1nc2ccc(B(O)O)cc2s1	196095031	OSYPULNPRYDTII-UHFFFAOYSA-N	204.019	-0.152	50	10	BBGE	
CSc1sc(C(=O)O)cc1B(O)O	205920135	UYUPLHOFKUYZFN-UHFFFAOYSA-N	218.064	-0.152	50	10	BBGE	
O=C1NC(=O)[C@@H]2C[C@@H](Br)CN[C@H]2N1	208897721	ZNGUCFCGLOHRPA-WDCZJNDASA-N	248.080	-0.475	50	10	BBGE	
CC[C@@H](C)NCC(=O)N1CCC[C@@H]1B(O)O	213642929	NNZMNKCKCVRJKE-RKDXNWHRSA-N	228.101	-0.623	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC([C@H](C)O)CC1	234039570	TVWSGWZOBVVPHC-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	234822624	SDUZXVODSWQOCP-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@]1(O)CCN(CCCCCC(=O)NN)C1	235713747	TTXSEJCIOWCFFP-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
COc1ncc(B(O)O)c2ccn(C)c12	238397614	IWUJAEGLQRHODX-UHFFFAOYSA-N	206.010	-0.738	50	10	BBGE	
CSCC(=O)NNC(=O)C(C)(C)O	277203076	UUOYZHODWRPEKI-UHFFFAOYSA-N	206.267	-0.732	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC[C@H]1C	299981992	NRORNTSMTNTJEY-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CS(=O)(=O)CC1CCN(C(=O)NN)CC1	309003076	SLJNOMYRUXZXJG-UHFFFAOYSA-N	235.309	-0.674	50	10	BBGE	
CCOC(OCC)c1ncc(B(O)O)cn1	309214919	JVVGQZOAWFMLDJ-UHFFFAOYSA-N	226.041	-0.772	50	10	BBGE	
COCC1(C(=O)NN)CCN(C(C)=O)CC1	309272428	DUHKLLQUHTUKGF-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CC(=O)NNC(=N)CCC(=N)NNC(C)=O	390552694	YRQOHYRBUIOUDE-UHFFFAOYSA-N	228.256	-0.997	50	10	BBGE	
O=C(O)CCc1ccc(C(=O)O)c(B(O)O)c1	396136733	ZOWNOOVAPANYOB-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1B(O)O	404967298	KESGBJJHVDXBQC-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
OC[C@H](NCc1cccc(B(O)O)c1)C1CCC1	585046682	XQQKRVSPVCKCFC-ZDUSSCGKSA-N	249.119	-0.383	50	10	BBGE	
CN(C[C@]1(C)CC1(F)F)C(=O)C(=O)NN	689216013	WOJOEFJPHVZLPN-ZETCQYMHSA-N	221.207	-0.520	50	10	BBGE	
CC[C@](C)(N)C(=O)N1CCC(O)(C#N)CC1	692113630	MNKNEFYLGKQWFM-JTQLQIEISA-N	225.292	-0.009	50	10	BBGE	
C[C@@H](CN)C(=O)N1CCC(O)(C#N)CC1	692114150	OHNFCAFGXSUOIP-QMMMGPOBSA-N	211.265	-0.542	50	10	BBGE	
CCN(C[C@H](C)O)[C@@H](C)CC(=O)NN	692155088	DWVPYHCQBSMLQH-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
C[C@]1(C2CC2)CN(C(=O)C(=O)NN)CCO1	694830328	UINRFAPWOSWYQV-SNVBAGLBSA-N	227.264	-0.996	50	10	BBGE	
C[C@H]([C@@H]1CNCCO1)N1CCC(O)(C#N)CC1	699650151	WECGVDFJSXOYKT-MNOVXSKESA-N	239.319	-0.286	50	10	BBGE	
CO[C@@](C)(CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703424849	JOBHGKUIZYRWNN-DKCNOQQISA-N	243.259	-0.700	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@H]1C[C@@H](O)C1	703807678	ZJRWJJBEXCOXSS-DTORHVGOSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706113904	HONZBJXHYCLLLZ-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C[C@H]1C	706206777	HONZBJXHYCLLLZ-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1C(=O)NC(=O)CCl	707193700	HUEZPHAEDBZERA-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(OCC(F)F)C1	707396328	IWSPCVZAAHOXIA-ZCFIWIBFSA-N	237.250	-0.279	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@@H](CO)C1	707673167	ZYCKYRYBTPZVQR-KNVOCYPGSA-N	227.713	-0.085	50	10	BBGE	
COC[C@@](C)(CCl)NCCn1cnnn1	712594964	USBSJGYGXOCLBK-MRVPVSSYSA-N	233.703	-0.093	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H](F)[C@H](F)C2)on1	714557630	FPWVAAFQBJATMF-KNVOCYPGSA-N	246.217	-0.230	50	10	BBGE	
Nc1nc(CCl)nc(NCC#CCO)n1	717532898	MIZWRKWKKZQGGX-UHFFFAOYSA-N	227.655	-0.400	50	10	BBGE	
C#CC[C@@H](O)CNc1nc(N)nc(CCl)n1	717912724	MBDVOHXSCRKWCV-ZCFIWIBFSA-N	241.682	-0.011	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)C1=NCN=C1	725663755	LOHVGEKKGXGXNT-FSPLSTOPSA-N	215.640	-0.408	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(F)F	753671891	YYOFDOTYZIFECU-NGJCXOISSA-N	234.202	-0.034	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H]1C(N)=O	757146105	MTGZKBXMJGSFFZ-RITPCOANSA-N	204.657	-0.053	50	10	BBGE	
COCCN(C)NC(=O)[C@H](OC)[C@@H]1CCOC1	854409702	KJWWYVATNUBPDG-NXEZZACHSA-N	246.307	-0.353	50	10	BBGE	
C[C@@H]1NCC[C@H]1NC(=O)NNc1cccnn1	861700548	DKMYJULGCGOYQP-JGVFFNPUSA-N	236.279	-0.147	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	891771471	RLAVVIVWGSZFRT-OMKQZNDVSA-N	226.232	-0.203	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cccnn1	910184589	UJAIQVYRNJRDHM-ZETCQYMHSA-N	210.237	-0.566	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)c1ccccn1	1290125505	JMJQNKKBSPZPAN-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CC(=O)NNC(=O)c1cccc(C#CCO)c1	1290391387	CXCSZXCORZFGEE-UHFFFAOYSA-N	232.239	-0.189	50	10	BBGE	
O=C(NNC(=O)c1cnncc1O)NC1CC1	1625703148	PWBWKSPSNFKIOK-UHFFFAOYSA-N	237.219	-0.711	50	10	BBGE	
CNC(=O)C1(C(=O)NNc2ccncn2)CCC1	1627966649	AYEAFPPFXJXRTE-UHFFFAOYSA-N	249.274	-0.164	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	1641424053	NLOPJSKVFNPUMW-XLPZGREQSA-N	228.248	-0.916	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)C(Cl)Cl	1865988123	AOZYWRYEEZGBMK-RXMQYKEDSA-N	229.107	-0.171	50	10	BBGE	
NC(=O)CONC[C@@H]1C[C@@H]1Br	1877457504	PZTBGAZEPFBHJN-WHFBIAKZSA-N	223.070	-0.224	50	10	BBGE	
COC[C@H](CN)[C@H](N)CBr	1880017773	IUWWVZXCSYSYLC-NTSWFWBYSA-N	211.103	-0.070	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@@H]1CCl)c1nc[nH]n1	1885226205	JYPLMUVPULMQLP-UHNVWZDZSA-N	236.684	-0.290	50	10	BBGE	
OC[C@H](O)[C@H]1CCCN1C[C@@H](O)CCl	1885362229	APMYDAQRCFLPFS-YIZRAAEISA-N	223.700	-0.596	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1N(C)C(=O)F	1887188180	MNZLDQHSYQITIY-RITPCOANSA-N	225.241	-0.180	50	10	BBGE	
CON(C)CCC[C@H]1C[C@@H]1C(=O)NN	1887613704	QQYVKUKRHIMKRQ-YUMQZZPRSA-N	201.270	-0.114	50	10	BBGE	
O=C(O)CONC(=O)NC[C@@H]1C[C@H]1Cl	1893119928	RPWFIIUXZCBZJU-CRCLSJGQSA-N	222.628	-0.071	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)[C@@H](O)CC12CCC2	1895044520	UCWVHYWIJHXFSH-KXUCPTDWSA-N	249.738	-0.064	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CSCC(N)=O)O1	1896930912	XYKNGZGPBDWTFO-BQBZGAKWSA-N	247.320	-0.868	50	10	BBGE	
C[C@]1(O)CN(C[C@H](Cl)C#N)CC[C@@H]1O	1901104342	DTNXBLCFRBVTSR-VGMNWLOBSA-N	218.684	-0.065	50	10	BBGE	
CN(NC(=O)C1CCC(N)CC1)S(C)(=O)=O	1901340108	YVNNJMAEGOSGOX-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
O=C1CN(C(=O)CCl)CC2(CCOCC2)N1	1902024137	RWCAZPOHIGQSFP-UHFFFAOYSA-N	246.694	-0.267	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2COC[C@H]21)C(=O)NN	1902707683	SXKGCFMBDQIVBX-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@](C)(O)C1	1909658525	FLLLRMHOIGWUAN-FXPVBKGRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H]2COC[C@@H]21	1909686074	PXTKIPNAPAXEEQ-AATLWQCWSA-N	243.307	-0.900	50	10	BBGE	
CN(CCCO)C[C@@H]1CCC[C@@H](C(=O)NN)O1	1909807560	FEGRMIBLRYBHSY-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CCN(CCCC(=O)NN)S(C)(=O)=O	1913816802	FQEZTIQVZVFUQH-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(O)CCC1	1914572041	RXZYHLMVHHHWSR-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@@H]1CCNC1=O	1916211415	FHSXRFGKTSURGU-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)NC[C@@H](C)C1	1921520206	HNJZQWNWDPNTMH-BDAKNGLRSA-N	242.323	-0.917	50	10	BBGE	
CON(C[C@@H]1C[C@H]1C(=O)NN)C(C)C	1928662757	NOPGYODSOYIYAL-JGVFFNPUSA-N	201.270	-0.116	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COC[C@@H]1CCl	1928745386	ZZTOJJZFOSNJHG-WDSKDSINSA-N	217.660	-0.702	50	10	BBGE	
CN(C[C@@H](Cl)C#N)C1CS(=O)(=O)C1	1932008496	CPHSNWLOAJCZQU-LURJTMIESA-N	222.697	-0.154	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H]2C1=O)C(=O)NN	1935422450	IODKUEPIHQIVLI-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)CC[C@@H]1O	1935932279	QBGOXOIIWZBQKY-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	1936086260	XWJCEIDJPIOBFH-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
COC[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936093926	IVCGCSGHNUHJIC-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@]2(CCl)C1	1937159103	DIADUWNEOYURFP-APPZFPTMSA-N	241.682	-0.240	50	10	BBGE	
CN(C)C(=O)N(C)Cc1sccc1B(O)O	1939885886	AFFITGGJLBNCHF-UHFFFAOYSA-N	242.109	-0.459	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@H]2CCOC[C@@H]21	1945025094	XBUONKMZYCRRMQ-SRQGCSHVSA-N	237.255	-0.062	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC1(F)F	1955223077	PXFMBKOWJPVGGG-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@@H]2COC[C@H]21	1955233432	QTHKBSDCBXCOLI-BGZDPUMWSA-N	221.684	-0.722	50	10	BBGE	
O=S(=O)(NCCCCCl)N1CC(O)C1	1955495873	SBCDAPYUTBWPHS-UHFFFAOYSA-N	242.728	-0.484	50	10	BBGE	
NNC(=O)CN1C(=O)CC12CCCCC2	1958186470	YXOUYBTWFUTDNI-UHFFFAOYSA-N	211.265	-0.089	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	1960173947	OLTRVYJHXYRAGH-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1CC(=O)NN	1961008256	BWOJJPKYDKIEDT-ZCFIWIBFSA-N	209.253	-0.713	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1961366896	OXQCZWLAUYHQHD-XVMARJQXSA-N	220.219	-0.109	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCC1CC1	1961686630	FLTXYOROGAQCFQ-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@]1(C)CCOC1	1974594843	HSKHLIINQOIKGP-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1C(=O)C[C@]12CCOC2)C(=O)NN	1976025057	VENRROJAMWYQDY-XCBNKYQSSA-N	227.264	-0.996	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cocn1	1976730543	FCUOVKIBWCOLAJ-UHFFFAOYSA-N	228.252	-0.887	50	10	BBGE	
Cc1noc(CN(C)[C@H](C)CC(=O)NN)n1	1976740912	ASZDUINWMCVBQP-ZCFIWIBFSA-N	227.268	-0.422	50	10	BBGE	
CO[C@H](C)CCOc1cncc(B(O)O)c1	1979027447	ZUVOHPLUTKOZJA-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
COC[C@@H](C)CN(C)c1nc(B(O)O)cs1	1981472035	MYFVOJLODQBISA-ZETCQYMHSA-N	244.125	-0.458	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=CC[C@@H]1CO	1983178949	GWOMVFIVEOEALS-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
CN(C[C@@H]1C[C@]1(C)C(F)F)C(=O)C(=O)NN	1983684775	DHHNJNKNUWLXPB-CDUCUWFYSA-N	235.234	-0.274	50	10	BBGE	
C[C@@H](CN1CC[C@]2(C1)C[C@@H](O)C2)C(=O)NN	1985676720	YFKOOFLLIYVPQU-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1[C@H](C)CCC(=O)NN	1990039628	STTVTGIUDULLED-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C#CC[C@@H](C)CN(C)CC(=O)NNC(C)=O	1991291997	OSFLNGZLXRHSIE-SECBINFHSA-N	225.292	-0.255	50	10	BBGE	
COCC1(CC(=O)NCC=CB(O)O)CC1	1991327089	NARAOVVPQJNQRA-UHFFFAOYSA-N	227.069	-0.513	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]2CC[C@H]1C2	1992167817	QERXRTWLVIMXAB-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CN(C)CC[C@@H]21	2004170824	PRKZHCRCTSRAJS-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@@]3(C)C2)c1B(O)O	2004976935	ULDRCJNFHOCNDG-KCJUWKMLSA-N	233.080	-0.689	50	10	BBGE	
C[C@@H](COCc1ccc(B(O)O)cc1)N(C)C	2006994286	LQLGFOMEZPPILQ-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C=CCCC1	2008840217	IZVYZUXXDROJMO-JTQLQIEISA-N	233.076	-0.116	50	10	BBGE	
CC(F)(F)CCCn1cccc(B(O)O)c1=O	2008841106	WBKMCGNRTFLEGF-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
COC[C@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	2010896755	AXLULLBBUWSXQJ-IUCAKERBSA-N	243.307	-0.503	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@H]1C[C@@H]1C(=O)NN	2014823763	JLSPQENOPBEGEM-BDAKNGLRSA-N	242.323	-0.978	50	10	BBGE	
O=C(NCC=CB(O)O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2020057136	RVEAURBGWVPCNL-XKNYDFJKSA-N	235.092	-0.037	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@H]2OCC[C@H]2O1)B(O)O	2021158537	DWPXJVNSZVJBAQ-HBNTYKKESA-N	241.096	-0.567	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@@]2(CO)C1	2021654550	KGFLZUUXQDUXTA-BFLSOPEQSA-N	239.319	-0.683	50	10	BBGE	
OB(O)c1ccc(F)cc1COC[C@@H]1CCO1	2025715261	VPMRQECNISQSHN-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
C[C@@H](CCC(=O)NN)n1cnc2c(N)ncnc21	2026858807	FODKUKTUJQBKGP-LURJTMIESA-N	249.278	-0.260	50	10	BBGE	
CN=c1ccnc(CN2CCC(O)(C#N)CC2)[nH]1	2040200334	IXUQODQAGAIFII-UHFFFAOYSA-N	247.302	-0.209	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C[C@H]3C=C[C@H]2C3)n1	2052495151	WXJPHCMYNFGJOU-ATZCPNFKSA-N	246.075	-0.192	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccc(B(O)O)cn1	2054286579	CBTBDYCOUREHTO-RTCCRHLQSA-N	248.091	-0.910	50	10	BBGE	
Cc1cc(C#N)cc([N+](=O)[O-])c1B(O)O	2060305912	WJHOIBRRIWTZJT-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C12CC(CO1)C2	2072839884	XFJUPCLEHWJDQG-UHFFFAOYSA-N	247.059	-0.516	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2cncn2c1	2076082712	WQHDHZFXYIXZES-UHFFFAOYSA-N	245.047	-0.368	50	10	BBGE	
O=C(Nc1cncnc1)c1ccccc1B(O)O	2079009946	VNEQLTIXOHYLHE-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CCO[C@]2(CO)C1	2210046520	VRPVUWCRAXWOMD-CBAPKCEASA-N	219.668	-0.165	50	10	BBGE	
COc1ccc(NC(=O)C(=O)NN)c(F)c1	2211238210	IDEJYRXJPNHMCV-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1ncc(B(O)O)s1	2211377899	OJWYYWAGOJPSGR-NTSWFWBYSA-N	240.093	-0.193	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H]1C[C@H]1C	2211603232	VRTSWYOEKOQIAR-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CN1CC[C@H](COC[C@@H]2C[C@@H]2C(=O)NN)C1	2211766773	JVUPDXLOJPYVBF-GUBZILKMSA-N	227.308	-0.419	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@]1(C)CO	2211782455	PDCMHOKSEHAWLQ-GXSJLCMTSA-N	227.308	-0.376	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2211827496	IFVCSISROJWGAF-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212284743	OUFVWCOZTDQBCV-BRPSZJMVSA-N	219.049	-0.061	50	10	BBGE	
CCC[C@@H](CN)Nc1ncccc1B(O)O	2212601286	LXFNGDGIXZIGDX-QMMMGPOBSA-N	223.085	-0.699	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@@H]3C[C@H]3C2)c1	2212610239	FLKQELDEJQVRJO-YUMQZZPRSA-N	218.065	-0.028	50	10	BBGE	
C=C[C@@H]1CCCN1c1ncc(B(O)O)cn1	2212610786	OWJPHOCXMCQOKV-SECBINFHSA-N	219.053	-0.689	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC12CC2	2212612205	IEUUEGQKRXSXFU-MRVPVSSYSA-N	218.065	-0.027	50	10	BBGE	
COCC(C)(C)Nc1ncccc1B(O)O	2212615679	SMPHIHGNQAUNMN-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
CC[C@H](N)[C@H](CC)Oc1ncccc1B(O)O	2217171228	BZDFHOJUNYLGCB-UWVGGRQHSA-N	238.096	-0.344	50	10	BBGE	
Cc1nn(C)cc1Nc1cc(B(O)O)ccn1	2217173043	OJXTWKPBRGZPPT-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
COC[C@H]1C[C@H](Nc2ncccc2B(O)O)C1	2217177295	HQCGENRHJRXPGE-KYZUINATSA-N	236.080	-0.402	50	10	BBGE	
CN(CC(C)(C)O)c1nccc(B(O)O)c1F	2217180695	JSHQKUQZQIJWDZ-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1c1cc(B(O)O)ccn1	2217197561	NULXFUGRNFJWHG-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
CC1(C)COC[C@H]1Nc1cc(B(O)O)ccn1	2217201545	YQCPNBLJCWOLRX-SECBINFHSA-N	236.080	-0.402	50	10	BBGE	
Cn1ncc2c1CN(C[C@H]1CC[C@H]1C(=O)NN)C2	2221567266	NWEPSUUHXUGUND-PSASIEDQSA-N	249.318	-0.248	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1Nc1cc(B(O)O)ccn1	2223637079	NWHBVTRLJMNEBG-KOLCDFICSA-N	249.123	-0.487	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)N[C@H](C)C2)cc1B(O)O	2223648676	OJAOWZPZMQJICU-NXEZZACHSA-N	249.123	-0.744	50	10	BBGE	
CCc1ncc(CNc2ccc(B(O)O)cn2)o1	2223670304	VVAXOOPMFKEHLM-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
Cc1nccnc1C(=O)NNC(N)=S	2241367898	UNHVBVPPKNAODL-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
CN(CCF)C(=O)C1CC(B(O)O)C1	2241496213	PTXDGNDDNCGEGA-UHFFFAOYSA-N	203.022	-0.333	50	10	BBGE	
COC[C@H](SC[C@H](C)OC)C(=O)NN	2241561142	ZGYXEBCRLFGLIV-BQBZGAKWSA-N	222.310	-0.241	50	10	BBGE	
O=C(OCCl)N1CC[C@@H]1[C@H](O)CO	2241824584	KWPFMNFHFFUWJU-PHDIDXHHSA-N	209.629	-0.253	50	10	BBGE	
COC1(C(=O)NCC=CB(O)O)CC(C)C1	2243220754	KMBDVAYDPUZFAU-UHFFFAOYSA-N	227.069	-0.514	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1(C(F)(F)F)CC1	2243362367	PVVOKMKWWJTIPY-UHFFFAOYSA-N	234.970	-0.445	50	10	BBGE	
CCN(C)C(=O)c1c(F)cccc1B(O)O	2243367595	VNFOOXOMRDKJQP-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
C[C@@]1(CO)CCN1C(=O)C1CC(B(O)O)C1	2243392036	QNHHUCHGQJAZSU-KTOWXAHTSA-N	227.069	-0.777	50	10	BBGE	
Cc1ncncc1NC(=O)[C@H]1C[C@H]1B(O)O	2243392755	WSZYARARRWIOHI-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C(=O)C1CC(B(O)O)C1	2243396432	MBEZODUWMOHUFK-KRTGUUSXSA-N	227.069	-0.779	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243396795	QUGOFOMOEUAKKF-RNJXMRFFSA-N	227.069	-0.467	50	10	BBGE	
CN1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243397333	ZBEATVVLJTWOQB-DTWKUNHWSA-N	226.085	-0.987	50	10	BBGE	
O=C(C#CB(O)O)Nc1c(F)cccc1F	2243398269	CRNKKCDXYJAZQN-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
CNC[C@H](C)N(C)C(=O)C1CC(B(O)O)C1	2243413726	MHSHTTYHBANYSD-UEJVZZJDSA-N	228.101	-0.694	50	10	BBGE	
O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCB(O)O	2245253414	IFRAQZPDTUEUEC-BQBZGAKWSA-N	229.041	-0.994	50	10	BBGE	
Cc1nn(CC[C@@H]2CCO2)c(C)c1B(O)O	2246222380	XOYUDBBLKBQYED-SECBINFHSA-N	224.069	-0.641	50	10	BBGE	
OB(O)c1cncc(OCC[C@H]2CCO2)c1	2246222479	VGNSLXSJZPIKBA-SECBINFHSA-N	223.037	-0.681	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	2247740496	LOIWNQVQFQERBK-XWLWVQCSSA-N	233.076	-0.494	50	10	BBGE	
O=C(NCCCC1CC1)c1ccoc1B(O)O	2247740710	OIBKBCBYDFVPIC-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](CCO)CC1	2247741426	ZLFNHGKWLVHZFN-SNVBAGLBSA-N	239.080	-0.987	50	10	BBGE	
CC[C@H]1CCOCC[C@H]1NC(=O)C#CB(O)O	2247748076	XJAUZJANPGUXGU-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
O=C(N1CCN[C@H]2CC[C@@H]21)C1(B(O)O)CCC1	2247756402	LWDCKSZXNBOCOY-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CC(C)[C@H]1C[C@@H](NC(=O)C2(B(O)O)CC2)CO1	2247757250	PWLYYRXLZVVBIF-RKDXNWHRSA-N	241.096	-0.077	50	10	BBGE	
CCCCN(O)C(=O)c1ccc(B(O)O)cn1	2247775468	LURLDBBCYFYWBQ-UHFFFAOYSA-N	238.052	-0.607	50	10	BBGE	
CCC1(NC(=O)c2c[nH]nc2B(O)O)CCC1	2247781087	IDOXTCYYHDLWTN-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
O=C(Nc1ncccn1)c1cc(B(O)O)cs1	2247795337	GXRBNIZPEQKSSC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796672	BUXYXSJXWWNDIM-AATLWQCWSA-N	239.080	-0.301	50	10	BBGE	
CO[C@H]1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807016	GXYVBOHDEJFFQP-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@@H]1CCCNC1)C(=O)[C@H]1C[C@H]1B(O)O	2247808866	MWNXHNMLVIMYFL-KXUCPTDWSA-N	240.112	-0.693	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]2C[C@H]21	2247847698	ANXPAANYFIEJBD-HTQZYQBOSA-N	235.048	-0.416	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)C1(B(O)O)CCC1	2247877412	AMEACULCOGAQLD-HLTSFMKQSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247878645	MAASKGMZDKSKCY-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(Nc1ccccc1)c1n[nH]cc1B(O)O	2247887680	QRTDNPRTBGJIHP-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)c(C)c[nH]1	2247898799	HWELANBHTMVEBW-DTWKUNHWSA-N	234.064	-0.078	50	10	BBGE	
CC(C)(C)[C@H](CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247900092	SWZHDPUHHONWCM-DJLDLDEBSA-N	243.112	-0.380	50	10	BBGE	
C[C@@H](NC(=O)C(F)F)c1ccc(B(O)O)cc1	2248415158	VZQMDFFRKROUAG-ZCFIWIBFSA-N	243.018	-0.191	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1CC=CCO1	2248419668	FNKZEZGVQYDMCS-NXEZZACHSA-N	237.064	-0.452	50	10	BBGE	
C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576085	DESUZQIMLMPBIC-IBNKKVAHSA-N	241.052	-0.781	50	10	BBGE	
CC1([C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C(=O)O)CC1	2248593803	QKSBFKAUSHLKDM-DSYKOEDSSA-N	241.052	-0.781	50	10	BBGE	
OB(O)C1CCN(CCc2cccnn2)CC1	2249347377	RMKCBWGKOXADSV-UHFFFAOYSA-N	235.096	-0.042	50	10	BBGE	
O=C(NCCc1ccoc1)c1coc(B(O)O)c1	2255456188	KZHUXNFHTHVCGE-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
C=C1CC(NC(=O)c2cccc(B(O)O)c2F)C1	2255499054	YYGSCYMWXKGYBZ-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H]1B(O)O	2255567995	HYMDPSUKDLEKQO-DCAQKATOSA-N	249.075	-0.301	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(F)ccc1B(O)O	2255723752	IBSDUFMGLMVCGT-SECBINFHSA-N	249.050	-0.046	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1ccncc1B(O)O	2255725367	WHLWWSMIIIZWNF-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
NCc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2255766384	CHDOAJAIBIPRGN-GHMZBOCLSA-N	248.091	-0.376	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1nccnc1B(O)O	2256068545	BZEPNQAUURTPDE-YUMQZZPRSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2CC[C@@H]2C1	2258124047	XCFPLSSZHXVIEK-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)o2)CC(C)C1	2259908337	RVOIVXOCNIYPFB-UHFFFAOYSA-N	247.059	-0.509	50	10	BBGE	
CCOC(=O)CNC(C)=C(C#N)C(N)=O	2296761464	LYWHTKUULPJNEQ-UHFFFAOYSA-N	211.221	-0.578	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2C[C@H]12)[C@H]1C[C@@H](B(O)O)C1	2298369249	OAMPFCQIFNFHJD-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
CO[C@H](C1CC1)[C@@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2298369619	ACTDSKPXRAJGLY-QQRDMOCMSA-N	241.096	-0.221	50	10	BBGE	
O=C(O)[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2298463415	BZHIAKNOUHCCLI-DKXJUACHSA-N	241.052	-0.781	50	10	BBGE	
COC1(C(=O)N2CC[C@H](B(O)O)C2)CC(C)C1	2303109406	QQMFQZSZUGSXPI-YUCVTWSNSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@](C)(CN1CC(O)(C2CC2)C1)C(=O)NN	2303427853	CJXWKCLAIGINQV-NSHDSACASA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2c1ncccc1B(O)O	2312614268	FKFMTZNMKLJLHF-HLUHBDAQSA-N	248.091	-0.889	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C=C[C@@H]1C2	2313082692	WLRXLWSJTKLAJQ-RKDXNWHRSA-N	247.059	-0.250	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)NO)C1	40168096	UYPAGWVMFMYJAF-QWWZWVQMSA-N	244.725	-0.756	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1CO	82470220	OHICKIUGYZNTEC-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCN(C)C(=O)C1	82774994	PUBHKNXAWQDKQO-ZCFIWIBFSA-N	247.682	-0.376	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@@H](C)CCl	86550284	REMFGXBYGVALQJ-YFKPBYRVSA-N	228.701	-0.168	50	10	BBGE	
C/C(=N/NC(=O)C(N)=O)c1ccc(O)cc1O	96901762	FFNDIGNUTOLLPP-XGICHPGQSA-N	237.215	-0.577	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)cc1[N+](=O)[O-]	170023479	UPHSQBGGOHFKOQ-UHFFFAOYSA-N	211.926	-0.817	50	10	BBGE	
O=C(O)c1cc(N=C=S)cc(B(O)O)c1	196870471	AAWQAOHSARKRMD-UHFFFAOYSA-N	223.018	-0.201	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](CN)C1	216473941	OSBLSAFJKPPIBX-IUCAKERBSA-N	214.313	-0.574	50	10	BBGE	
COC[C@@H](C)N(C)[C@H](C(=O)NN)C(C)C	216479089	TWDOHAZBXJWMSN-BDAKNGLRSA-N	217.313	-0.032	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H](C#N)C1	219258877	GXPBOFQOTSZVQV-DTWKUNHWSA-N	226.280	-0.631	50	10	BBGE	
OB(O)c1ccnn1Cc1ccccc1	219663579	RPPLMOXRNAKHOD-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
COC[C@H](Oc1ccccc1CO)C(=O)NN	232418396	QPSYNBCFQHXNOW-JTQLQIEISA-N	240.259	-0.437	50	10	BBGE	
COC[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1	234734565	HAAJLROHAYQJAZ-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)CNC(=O)CCl)C1	258802598	TZOGFLYPVWOJFJ-MRVPVSSYSA-N	247.726	-0.496	50	10	BBGE	
CNNC(=O)c1ccc2oc(=O)[nH]c2c1	258964765	HGONKGWAZINMAQ-UHFFFAOYSA-N	207.189	-0.015	50	10	BBGE	
OC[C@@]1(O)CCN(c2nnc(CCl)o2)C1	306380416	JPOXECBENNJRGD-MRVPVSSYSA-N	233.655	-0.258	50	10	BBGE	
Nc1cc2c(B(O)O)csc2cc1O	306895587	NFOVWKZROZVACG-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)c(Br)cn1	307029047	NNIHLERHCPUBLQ-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
C=CCN(C(=O)N=C=O)S(C)(=O)=O	308065926	XHPAFNWWJRKRIQ-UHFFFAOYSA-N	204.207	-0.110	50	10	BBGE	
CN1CC[C@@H](N(C)CCCCC(=O)NN)C1	309308135	WFUXXFQVWMGRLS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(=O)NN=CNCCCC[C@@H](N)C(=O)O	309511298	PZQSSHXUKWJLDZ-MRVPVSSYSA-N	230.268	-0.762	50	10	BBGE	
Cc1nccn(Cc2occc2C(=O)NN)c1=O	310811718	GMBCIQJQSUYFSQ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC(C)(C)OC(=O)C[C@@H](N)C=NNC(N)=O	381518309	SYDQNOWIHWGBBF-ZCFIWIBFSA-N	230.268	-0.300	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Cl)[C@@H]([N+](=O)[O-])C[C@@H]12	389636798	OMDLBGWHTZQYSP-UCROKIRRSA-N	233.655	-0.305	50	10	BBGE	
CC(C)(C)NC(=O)c1sccc1B(O)O	389680306	DSNJBRRGVPIBDJ-UHFFFAOYSA-N	227.094	-0.044	50	10	BBGE	
Nc1sc2c(B(O)O)cccc2c1CO	396239617	GMVRWGQYKWTJKA-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Cn1cc([C@@H]2OCC[C@@H]2C(=O)NN)cn1	399712034	AMGZTQSFJYLTGV-YUMQZZPRSA-N	210.237	-0.512	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@@H]2CCOC2)c1	405038376	VAVAAFJFRLUXTL-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
CCOC(=O)[C@H]1C[C@H](Cl)NNC1=O	585662288	SCQUMHQVRQUAKX-CRCLSJGQSA-N	206.629	-0.245	50	10	BBGE	
COC[C@@H](Cl)c1cnnn1CC(N)=O	675080640	RUYWPERDRABDMF-RXMQYKEDSA-N	218.644	-0.310	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)[C@@H](COC)C(=O)NN)CO1	688489728	WYFRZJKZQDYTGS-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1nnn(C)n1	697207665	LBVIAOYQUZDYRK-RXMQYKEDSA-N	233.659	-0.806	50	10	BBGE	
CC(=O)c1c[nH]c(C(=O)NNC(N)=O)c1	700864467	JZPRAOKXNBALNB-UHFFFAOYSA-N	210.193	-0.470	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C[C@@H](C)C(=O)NN	706206262	BCTNIEFWVJRMAR-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccc(OCCN2CC[C@@H]3C[C@@H]32)cc1	707088505	NPNAEOMEXNNVKM-MFKMUULPSA-N	247.103	-0.161	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	713155417	UQHWAEUYFAPKDU-PRJMDXOYSA-N	239.275	-0.950	50	10	BBGE	
NNC(=O)C1CCN(C(=O)COC2CC2)CC1	713290991	NPXMAHXYSVOLCT-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](CN(C)CC1CSC1)C(=O)NN	718293984	HVONTSKTEMTQNF-ZETCQYMHSA-N	217.338	-0.093	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN2CCSC[C@H]12	720455597	FZTHVJOKKXWEJU-HTQZYQBOSA-N	230.337	-0.261	50	10	BBGE	
O=C(NCCCF)NNC(=O)[C@@H]1COCCO1	767957842	GATPPYJOGVCYMC-ZETCQYMHSA-N	249.242	-0.908	50	10	BBGE	
CC[C@@](C)(C#N)C(=O)NNC(=O)c1cnn[nH]1	796184781	QQEATCGTHIYTDT-VIFPVBQESA-N	236.235	-0.494	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1nnc(C)n1C	856045634	FKSYBJQCDDXVTC-LURJTMIESA-N	211.225	-0.886	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H](C)CC(N)=O	862500291	NSOKVHUAQCVCBK-SSDOTTSWSA-N	236.275	-0.233	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1cnc(C)o1	1119593376	CBJCYIPDQGLRGN-UHFFFAOYSA-N	226.236	-0.124	50	10	BBGE	
COCC1CN(Cc2cscc2B(O)O)C1	1231946584	UPQXFGLPUWXRRK-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCCn2ncnc21	1292010647	MZGTUNNDNKAAJR-ZCFIWIBFSA-N	238.251	-0.884	50	10	BBGE	
NC(=O)CSCC(=O)NNc1ccncn1	1468214674	MTWACCMAHDDNEY-UHFFFAOYSA-N	241.276	-0.862	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)n1cccn1	1530258929	AKLWYUCTYDBSAB-ZETCQYMHSA-N	248.246	-0.372	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C[C@@H](C)C#N	1652413784	CCBFTBHHLJIXCW-VIFPVBQESA-N	240.307	-0.119	50	10	BBGE	
O=C(CO)NNC(=O)c1cncc(Cl)c1	1654450874	IBCBULPAPASWRU-UHFFFAOYSA-N	229.623	-0.512	50	10	BBGE	
NC(=O)CONC[C@H]1C[C@H]1Br	1880436650	PZTBGAZEPFBHJN-RFZPGFLSSA-N	223.070	-0.224	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883552817	OKUAWHASHHKOCX-UCROKIRRSA-N	206.673	-0.562	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N(CCO)CCO	1883634285	ILSYEDFSMVDVOZ-BQBZGAKWSA-N	207.657	-0.573	50	10	BBGE	
COCC(=O)N1CCN(C(=O)F)CC1	1887172950	GFVLZSKJWQVDSA-UHFFFAOYSA-N	204.201	-0.134	50	10	BBGE	
CN(NC(=O)C(C)(C)C#N)S(C)(=O)=O	1888555426	YMZUNTFAOSORAK-UHFFFAOYSA-N	219.266	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CC(CO)C1	1890518587	AWIFPNFJLBAHLP-KKMMWDRVSA-N	201.270	-0.933	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2C[C@H](C1)N2	1893497540	IGKGPWACVAEXPC-OGKLNQJMSA-N	214.652	-0.119	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CC12CCC2	1893860927	OYVWRXAQLJGDRP-SSDOTTSWSA-N	211.265	-0.090	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)[C@@H]1C[C@@H]1F	1895382447	WPIMLJJIXMXGQX-SFYZADRCSA-N	243.068	-0.598	50	10	BBGE	
CN1CC(C)(C)[C@H]1COC(F)(F)C(=O)NN	1899511956	ZIQSAJOCHVOHAN-ZCFIWIBFSA-N	237.250	-0.074	50	10	BBGE	
COC[C@H](C)COC(F)(F)C(=O)NN	1906604561	KEICWQIQNDKJAS-YFKPBYRVSA-N	212.196	-0.132	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)[C@H](C(=O)NN)C(C)C	1907703246	BHCLXTLPXNVNIM-AEJSXWLSSA-N	245.323	-0.654	50	10	BBGE	
CC(C)[C@@H]1CCN(CCOCC(=O)NN)C1=O	1914813518	JFWDSMYTKDJOGD-VIFPVBQESA-N	243.307	-0.503	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)C1COC1	1915673135	VGTPZFJZESFGSL-UHFFFAOYSA-N	235.092	-0.495	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(F)C2)nc1	1917251657	IVHJYNHSMPORQH-UHFFFAOYSA-N	224.239	-0.161	50	10	BBGE	
COC[C@H]1CC[C@H](N(C)CC(=O)NN)C1	1918713643	IKMGNFYMDALELK-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@]12CSC[C@@H]1CN(C(=O)C(=O)NN)C2	1927953489	OSBQYKNNYNVWIP-RCOVLWMOSA-N	229.305	-0.812	50	10	BBGE	
OC[C@@H]1C[C@@H]2OCC[C@@H]2N1C[C@H](O)CCl	1928936946	LNEVDZWIHYKFSH-JXUBOQSCSA-N	235.711	-0.190	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21	1929838311	LWSWLFTTZLBHFU-OKNNCHMLSA-N	212.249	-0.977	50	10	BBGE	
NNC(=O)CN1C[C@@H]2[C@H](CC1=O)C2(F)F	1931861814	ZHSZKUUKJVYFSS-CRCLSJGQSA-N	219.191	-0.910	50	10	BBGE	
COCCN(CCF)C[C@@H]1C[C@H]1C(=O)NN	1936091605	NPMAMIFXDSDBMV-DTWKUNHWSA-N	233.287	-0.470	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC1(C)COC1	1936093106	ATDDAFYYQKPCIG-RKDXNWHRSA-N	227.308	-0.419	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H](C)COC	1936533949	IWLBQQJSTRCMOE-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941083375	QDLAJEGHFMUSHJ-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1CCOCC(=O)NN	1944022782	FSLHQXVXMLUOQS-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)C[C@H]2CO	1944030629	XBKCTHBOXLNCNR-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2OCCO[C@@H]2C1	1944741191	JKEJPBCLCSFPIX-AATLWQCWSA-N	243.307	-0.900	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@H]2C(=O)NN)CCC1	1947185914	KMCMUXOWLOQQBV-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)CCN1CCC(F)(CO)CC1	1957836409	JBHBNEVOTYDYAK-UHFFFAOYSA-N	219.260	-0.837	50	10	BBGE	
NC(=O)NNC(=O)c1ncoc1C1CC1	1958695635	UEXKVIQRQAVHAA-UHFFFAOYSA-N	210.193	-0.135	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccc(B(O)O)cc1	1963588258	ZDRFCKNNNCTPGX-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]2C[C@H]2CO1	1975316730	VGJLARFXFLTXPL-CIUDSAMLSA-N	213.281	-0.667	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCN(CC(N)=O)CC1	1976933165	MCKNXIGXYOXSQV-MRVPVSSYSA-N	247.726	-0.367	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@@H]2CSC[C@@H]2C1	1976989261	SSCIUYBEMMZKEV-RNLVFQAGSA-N	243.332	-0.424	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H](C)C2)n1	1981469255	PIMJYNSHEQPNAB-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
COCCNC(=O)N1CCC(O)(C#N)CC1	1981613768	IDSAJMZYDLZPOJ-UHFFFAOYSA-N	227.264	-0.307	50	10	BBGE	
C[C@@H](COc1cccc(B(O)O)c1)N(C)C	1983808369	DRBTUTCEMTWXFW-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
CO[C@H](C)COC[C@H]1CC[C@@H](C(=O)NN)O1	1986052182	QOSCUXYTLULAMK-HLTSFMKQSA-N	232.280	-0.425	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1CCOC1	1988004854	WEBCIAOWCKSSCZ-ZETCQYMHSA-N	227.000	-0.932	50	10	BBGE	
COC[C@H](C)CNC(=O)NCC=CB(O)O	1991333907	UZMMQJJITWGKOA-MRVPVSSYSA-N	230.073	-0.864	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)C(=O)N1CCNCC1	1991432773	MRQYVLGNCJNNSD-YUMQZZPRSA-N	245.710	-0.838	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCCc1nn[nH]n1	1991703305	FWVBAMNSIDWXID-ONEGZZNKSA-N	243.654	-0.430	50	10	BBGE	
C=C(CN(C)C[C@@H]1C[C@@]12CCOC2)B(O)O	1992154365	XPLKLUIIFPHQDR-WDEREUQCSA-N	225.097	-0.087	50	10	BBGE	
CCO[C@H]1C[C@H](OC)CN(CCC(=O)NN)C1	2001046985	SSIMPEIMBPPZMU-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(CCC#N)CC1	2003828833	RVEULEUFDJYAAY-JTQLQIEISA-N	239.323	-0.714	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1ncc(B(O)O)cn1	2004912086	OIYBGRFRYIIZGP-MRVPVSSYSA-N	233.080	-0.607	50	10	BBGE	
C[C@H](CC1CC1)N(C)c1ncncc1B(O)O	2004912195	PZSMSGWQOMPXCR-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CCN(CCOC)c1nccc(C)c1B(O)O	2004917613	DJJYAUGLTQCLLU-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ncc(B(O)O)cc1F	2005017079	ZEMKQVBNDYGQKK-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
CCOCCN(C)c1ccc(B(O)O)c(C)n1	2005018283	RAVYFOJQUNOIHX-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H]1COCC(=O)N1CCCCCC(=O)NN	2005872578	CHBPLEOWNBHHKH-VIFPVBQESA-N	243.307	-0.216	50	10	BBGE	
C=CC1(Cn2cc(B(O)O)ccc2=O)CCC1	2008845127	XEJBSBIRLAVMQR-UHFFFAOYSA-N	233.076	-0.116	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)[C@H]2C[C@@H]2C1=O	2008866140	GYLZJTGZQUAICD-WHFBIAKZSA-N	247.201	-0.993	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H](O)C2(CC2)C1	2008871461	UUCJXALGXWOXRF-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1cccc(C(=O)NN)c1	2011371670	CZZIJTNOGDXAMU-GZMMTYOYSA-N	235.287	-0.145	50	10	BBGE	
CCC[C@@H](C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	2013536507	YNMZKEUSXWRTIG-FXQIFTODSA-N	240.259	-0.443	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@H]1C1CC1	2014001540	NFGYSFBBWFIGRL-MPKXCIJOSA-N	241.335	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N(C)C)[C@@H]1C	2019211863	RFXHQLNLHXRWON-WPRPVWTQSA-N	242.323	-0.822	50	10	BBGE	
CN1CC[C@H](C(=O)N[C@H]2CCC=C2B(O)O)C1	2020061920	MDGBXXFTBOEMPO-WPRPVWTQSA-N	238.096	-0.845	50	10	BBGE	
C=C(CN1CCO[C@H]([C@@H]2CCCO2)C1)B(O)O	2021158911	KHEQJDOAYGRYHE-QWRGUYRKSA-N	241.096	-0.566	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]1CN(C)C	2052622031	ORYBQZUVEVDYSX-NSHDSACASA-N	249.123	-0.790	50	10	BBGE	
CCc1cc(B(O)O)c(OC)c([N+](=O)[O-])c1	2060066501	UPICXNDRZAAVJR-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COCc1nccn1-c1cc(C)c(B(O)O)cn1	2061997098	RHTRJAYNYCVFBY-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2071239957	FFSVBDKNBQQKHE-WSOSLHDDSA-N	245.087	-0.570	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2079519341	NLWUVNDBSIYIJO-RKDXNWHRSA-N	249.079	-0.613	50	10	BBGE	
NNC(=O)[C@]12CO[C@](COc3cccnc3)(C1)C2	2082606784	FSPWIBIDMUAACL-HAQNSBGRSA-N	249.270	-0.001	50	10	BBGE	
C[C@@H](CN(C)[C@H]1C[C@@H](O)C1)C(=O)NN	2209400519	NZSCFLIOKAGJML-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
O=C(NNCCO)[C@@H]1OC[C@H]2CCCC[C@@H]21	2210298210	ZQTYNVWIZUNLPO-KXUCPTDWSA-N	228.292	-0.195	50	10	BBGE	
C[C@H](CO)N(C)CC1(C(=O)NN)CCCC1	2212444685	NVYYYTSDBWZQGI-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](CO)Nc1nccc(B(O)O)c1F	2212605538	GOJXYDPBOJYAHA-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
OB(O)c1ccc(Sc2nccc(O)n2)nc1	2217166966	QAPZSAMJKOMPNR-UHFFFAOYSA-N	249.060	-0.592	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2CCC=CO2)nc1	2217175421	IPFFOQOBJZLZTR-SECBINFHSA-N	235.052	-0.739	50	10	BBGE	
CC[C@@H](N)CCCOc1ncccc1B(O)O	2217184067	QEKRZOPZSNRWTF-SECBINFHSA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1ccc(OCCCNC2CC2)nc1	2217193399	ULOCEYXVEHDWCO-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
Cc1noc(CNc2ncccc2B(O)O)n1	2217205450	ZBXADUJHLPJINA-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CCC[C@@H](N)C1	2223670026	RPPVHTFTDDFWHO-GHMZBOCLSA-N	249.123	-0.533	50	10	BBGE	
N[C@H](CNc1ccc(B(O)O)cn1)c1ccco1	2223678674	GCYVEAVAZXORMK-SECBINFHSA-N	247.063	-0.534	50	10	BBGE	
NCCCN(CCO)C(=O)[C@H]1C[C@H]1Cl	2241422266	ITVZTBOJGCJGTF-JGVFFNPUSA-N	220.700	-0.217	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C(C)(F)F	2241479484	ZAGOJUMGSGQCGW-YFKPBYRVSA-N	204.969	-0.838	50	10	BBGE	
O=C(NCCCF)[C@H]1C[C@@H](B(O)O)C1	2241480473	KXRUOOOCPNDKLT-KNVOCYPGSA-N	203.022	-0.285	50	10	BBGE	
CCCCN(O)C(=O)c1occc1B(O)O	2243359360	RNCDPUZQRDQKFQ-UHFFFAOYSA-N	227.025	-0.409	50	10	BBGE	
C=CCNC(=O)c1ccc(F)c(B(O)O)c1	2243374783	KCDOZKCGBOGGSU-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243392847	XNQWAWDCTFRGMU-BIIVOSGPSA-N	227.069	-0.779	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CSC	2243396079	HCFKUHIZIBNUHX-GJMOJQLCSA-N	247.125	-0.657	50	10	BBGE	
CCc1ncc(CNC(=O)C#CB(O)O)s1	2243399681	OWCJEUYAZKPVNY-UHFFFAOYSA-N	238.077	-0.663	50	10	BBGE	
O=C(Nn1cccc1)c1csc(B(O)O)c1	2243407905	BXTPQYWJYICMQN-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
COCCNC(=O)c1scc(C)c1B(O)O	2243414786	IGLOXFXXNHFUBP-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@@H]1CF	2243415625	YXILZDOGHHDFML-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243419599	CBNOMBUQDOPHEH-JBDRJPRFSA-N	227.069	-0.779	50	10	BBGE	
C[C@@H](NC(=O)C(F)F)c1cscc1B(O)O	2243662982	DWTDOHNAJKELQR-SCSAIBSYSA-N	249.047	-0.130	50	10	BBGE	
CC(C)(CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243752779	MLRLHYVCYQKODI-NTSWFWBYSA-N	229.041	-0.924	50	10	BBGE	
CC(C)(C)ONC(=O)c1cc(B(O)O)co1	2244212718	UMWRIGVJJMIINI-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)C[C@H]2CCCC[C@H]21	2247742910	VWJVNGMJONQBCN-RKDXNWHRSA-N	235.048	-0.681	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C(=O)C1(B(O)O)CC1	2247756686	UBNIKEQSQSVZSW-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCC1CCC1)c1c[nH]nc1B(O)O	2247782418	UPOKBDQBXNDCFG-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2CF)oc1B(O)O	2247790259	BRTRGLAVZBEWPR-SSDOTTSWSA-N	241.027	-0.548	50	10	BBGE	
O=C(NCCc1ccon1)[C@H]1C[C@H](B(O)O)C1	2247791040	KUVVBYNPYJXVAB-ZKCHVHJHSA-N	238.052	-0.414	50	10	BBGE	
CCN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247796562	AULXWHBGNDPYNJ-MGCOHNPYSA-N	240.112	-0.597	50	10	BBGE	
CC[C@H]1COCCN1C(=O)C1CC(B(O)O)C1	2247797174	GUZLLUVOCWFWLP-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@]12CCNC[C@@H]1C2)C1CC(B(O)O)C1	2247797282	IAMLPYKHEPCOPK-IEZMZVKSSA-N	238.096	-0.892	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247798085	QAWOELDDXJPFSG-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247809803	RKVBJZFCLYJWKY-OPRDCNLKSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC(F)(F)C12CCC2	2247846999	PXIWGVCWIBAUFN-ZETCQYMHSA-N	243.018	-0.304	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CNC(=O)C#CB(O)O)[C@@H]1C	2247847924	DNIRTVGFMYLPHO-RGOKHQFPSA-N	239.080	-0.823	50	10	BBGE	
CC1(C)OC[C@@H](CNC(=O)C2(B(O)O)CC2)O1	2247877007	AJBLQLDZDULZKA-SSDOTTSWSA-N	243.068	-0.739	50	10	BBGE	
CC[C@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2247879576	UVZYYKBLBOULNY-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
Cc1ncc(CCNC(=O)[C@H]2C[C@H]2B(O)O)o1	2247886851	HCEVBAVACRAFHQ-DTWKUNHWSA-N	238.052	-0.495	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)no1	2247894036	BPDYCHPHZCUMPT-DTWKUNHWSA-N	238.052	-0.196	50	10	BBGE	
CC1CC(CO)(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902838	HSJOACDIYRQOAW-SNWHPCCYSA-N	241.096	-0.483	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CCCC1	2248033000	PBLPSMDSXCZSKX-UHFFFAOYSA-N	235.048	-0.692	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2248587978	XJNHPXKRKOJAMP-GJMOJQLCSA-N	243.068	-0.439	50	10	BBGE	
C[C@H](CC(F)F)NC(=O)c1cc(B(O)O)co1	2249434095	VKEHWKSDUGAFCH-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
COC1CC2(C1)CC(N(C)C(=O)C(=O)NN)C2	2249694840	KOUGBAGHJUGTLY-UHFFFAOYSA-N	241.291	-0.608	50	10	BBGE	
C=C1CON(Cc2c(F)cccc2B(O)O)C1	2251326596	KJOLUUACLWDXID-UHFFFAOYSA-N	237.039	-0.191	50	10	BBGE	
Cc1ccc(CNC(=O)C(F)F)cc1B(O)O	2253233995	WESLJSBXFMYHCX-UHFFFAOYSA-N	243.018	-0.444	50	10	BBGE	
C=CC1CCN(C(=O)c2ccc(B(O)O)o2)CC1	2255470199	ZODPJMJYYOKFHD-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2255476980	SNRBUZFOTMHRHZ-SNVBAGLBSA-N	248.091	-0.077	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC=C(F)C1	2255510600	YEINYXNXCAKUCM-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)cn1CC	2255510960	CIKXECBORZTUOR-UHFFFAOYSA-N	248.091	-0.717	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2ncc[nH]2)c1	2255511936	RFYFSWFVDLTBER-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1ccc(B(O)O)cn1	2255515880	DDXRQGJIMOJZSR-PELKAZGASA-N	246.075	-0.566	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2255519874	CMRTWQWBZPEBMQ-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)cc1C	2255687243	DJCGROLQKABQMD-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)Nc1cn[nH]c1	2255734692	FYHSWFVXADWXAT-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC1(C2(NC(=O)c3cc(B(O)O)n[nH]3)CC2)CC1	2255762024	PAGBLLXWDCVMRQ-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1cocc1B(O)O	2258151512	QAJQMHRRXJBZTP-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN2CCC[C@H]2C1	2298369227	NAGWLRAWFBYVCS-LPEHRKFASA-N	238.096	-0.844	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375251	BTFBRRROGCIHMK-YIZRAAEISA-N	240.112	-0.422	50	10	BBGE	
O=C(N[C@H]1CO[C@H]2C[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298376966	ZOTWLOGQNBTXLA-OEZYJKACSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1C[C@]2(CCN(C(=O)C#CB(O)O)C2)CO1	2299101016	CPMNPOMGHHPBAX-ONGXEEELSA-N	237.064	-0.971	50	10	BBGE	
C/C(=C/C(=O)N1CCC(O)(C#N)CC1)C(=O)O	2299132181	QKWCILCGTCIUKT-VURMDHGXSA-N	238.243	-0.106	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC[C@H](F)C1	2300042707	SLPWPWIWGIOZRI-OPRDCNLKSA-N	245.298	-0.327	50	10	BBGE	
COC[C@H](C)Oc1ccc(B(O)O)cc1C#N	2301343223	IMFKTLUBGZATCU-QMMMGPOBSA-N	235.048	-0.348	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	2302019013	XKNBNSBYRUFXLU-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CC=CCO2)C1	2303111587	KRMRPYQFVBNXBE-KOLCDFICSA-N	239.080	-0.203	50	10	BBGE	
CC(C)[C@H](N)COc1cc(B(O)O)c(F)cn1	2303853574	VZCQJBCILBFRKZ-SECBINFHSA-N	242.059	-0.737	50	10	BBGE	
NNC(=O)COCCOC[C@H]1O[C@H]2CC[C@H]1C2	2307438440	DHTGSJMHIGDFBG-LPEHRKFASA-N	244.291	-0.423	50	10	BBGE	
O=C1NCCN1S(=O)(=O)CCCCl	36881963	ZAQPWDVYIJSFKK-UHFFFAOYSA-N	226.685	-0.030	50	10	BBGE	
Cc1ccnn1C[C@@H]1CC[C@@H](C(=O)NN)O1	70687605	FUEYSTKVSYFINV-IUCAKERBSA-N	224.264	-0.271	50	10	BBGE	
COC[C@H]1CCN([C@H](C)C(=O)NN)C1	81120979	IGQQFWCORDNWBR-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1C(=O)CCl	88091718	SAUWXJQRGAFNSE-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
NC(=O)NCCNC(=O)NC(=O)CCCl	133356283	FXORRLRZJBRBIC-UHFFFAOYSA-N	236.659	-0.891	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCOC1	134790865	FGXUIALQLQPKQF-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
CCCNC(=S)NNC(=O)CCOC	170738033	VCLFRUKNJFTPHI-UHFFFAOYSA-N	219.310	-0.072	50	10	BBGE	
OB(O)c1cc(CO[C@H]2CCOC2)ccc1F	203528050	LYJNCTWSPFGTCU-VIFPVBQESA-N	240.039	-0.189	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](C(N)=O)C1	218349776	NREAHJDTTLNRQK-WDSKDSINSA-N	204.657	-0.053	50	10	BBGE	
O=S(=O)(CCCl)Nc1nnns1	232301753	UUDMOJOVKRFIHZ-UHFFFAOYSA-N	228.686	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc(C)c1C	232421025	XKTAEHCJUNZTNS-MRVPVSSYSA-N	212.253	-0.323	50	10	BBGE	
CCOC(=O)c1cc(O)cc(B(O)O)c1	238259436	GFDIVKCZNICWEN-UHFFFAOYSA-N	209.994	-0.751	50	10	BBGE	
CC(=O)Cc1cc(S)cc(B(O)O)c1	307023166	XVVFQLBFNHSZHO-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(CC(N)=O)C1	382178268	LDROVMNUXXPDAK-YFKPBYRVSA-N	247.682	-0.343	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](C)C(C)(C)O	382927463	FKQBYFVPNZECNG-YUMQZZPRSA-N	217.313	-0.154	50	10	BBGE	
CC(C)(O)C(=NNC(N)=O)c1ccon1	383978530	UNDYPEOHROQLKN-UHFFFAOYSA-N	212.209	-0.182	50	10	BBGE	
CC1(O)CN(Cc2nc(C(=O)NN)cs2)C1	384069956	TTYQFQRZBQHGAK-UHFFFAOYSA-N	242.304	-0.687	50	10	BBGE	
CN1CCC[C@@H]1COc1ccccc1B(O)O	386895004	OARCTNNEHIMQJZ-SNVBAGLBSA-N	235.092	-0.161	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CCC1	393805348	ACPVYAOXRKQFNU-UHFFFAOYSA-N	221.065	-0.419	50	10	BBGE	
O=C(CCl)Cc1cccc(B(O)O)c1F	396066582	DJDIRPYESMGCEB-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
O=CCCc1ccc(C(=O)O)c(B(O)O)c1	396128531	ADPBBJGWRPAJOC-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
N#CCCc1cc(/C=C\C(=O)O)ccc1B(O)O	396132181	IOXPMSXIRRSDSL-XQRVVYSFSA-N	245.043	-0.080	50	10	BBGE	
Nc1cc(C(=O)O)cc2scc(B(O)O)c12	396240696	KSICYERSBWYVCO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc(B(O)O)c2scc(C(=O)O)c2c1	396247385	SYZHQQIQVGDSSD-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
NNC(=O)CCCCN1CCN(CCF)CC1	402791279	SHNIYJLTPHVLKE-UHFFFAOYSA-N	246.330	-0.266	50	10	BBGE	
COCC(=O)Nc1ccc(B(O)O)cc1F	404965974	ILHGPGORTDIWPB-UHFFFAOYSA-N	227.000	-0.910	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1cc(B(O)O)ccn1	405003942	NVLLVVXYLBSNMD-MRVPVSSYSA-N	236.080	-0.008	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNC(N)=O)C1	606275228	NBLHRQJSLYNYDV-ZCFIWIBFSA-N	200.242	-0.972	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(CCC(=O)NN)C1	687212448	IQDVJTHPGOKKAK-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](CN(C)[C@H](C)CCC(=O)NN)OC	691289740	ZYPHVNLHMHUCRZ-ZJUUUORDSA-N	247.339	-0.262	50	10	BBGE	
N#CC1(O)CCN(c2ncnc(O)c2N)CC1	692148632	PIRCDSBMUNWYBA-UHFFFAOYSA-N	235.247	-0.381	50	10	BBGE	
N#CC1(O)CCN(CC[C@@H](O)CO)CC1	692166577	GPOVIXSBRDWLCJ-SECBINFHSA-N	214.265	-0.920	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@H]1CCN(C)C1	693440359	XOOAUGNEZGQQCT-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CO[C@@H]1CN([C@H](CC(C)C)C(=O)NN)C[C@H]1O	695096532	AUNGURQJZCWKQI-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
CCOC[C@H](CN)N1CCC(O)(C#N)CC1	704161468	WSBUSIVHQUNZGE-JTQLQIEISA-N	227.308	-0.299	50	10	BBGE	
NNC(=O)CCCCN1CC2(COC2)C1	704375992	IXFCIMGPDAFRII-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CCCC(=O)NN	706193512	AFFQDGYFWZNPDB-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CCO[C@H]1CCN([C@@H](COC)C(=O)NN)C1	706445995	GPTPNFGRYILTSR-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@H]1COC[C@@H]1O	709111738	WGSWLYSCVVFXDP-ACZMJKKPSA-N	207.657	-0.168	50	10	BBGE	
C[C@@H](O)C1CN(Cc2ccoc2C(=O)NN)C1	719806626	IZWDPPMQRBBKMM-SSDOTTSWSA-N	239.275	-0.304	50	10	BBGE	
C[C@@H](CN1CCS[C@H](CO)C1)C(=O)NN	720069810	QACIILUCMPCLJU-YUMQZZPRSA-N	233.337	-0.978	50	10	BBGE	
NNC(=O)C(=O)N(CC(F)F)CC(F)(F)F	720096369	IUQSZSRASVAWGC-UHFFFAOYSA-N	249.139	-0.368	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CCC(=O)NN	724139850	NADKNYODQCAVSC-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CC(CNC(=O)C(=O)NN)C[C@@H](C)O1	724477725	YNMZZUCVJBVSGC-RNFRBKRXSA-N	229.280	-0.704	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	780907010	IGYVWQDXSMABBL-RRKCRQDMSA-N	213.237	-0.628	50	10	BBGE	
Cc1cncn1CC(=O)NN(C)C(N)=O	860517057	XHNIYVGTCFXLEV-UHFFFAOYSA-N	211.225	-0.767	50	10	BBGE	
CO[C@H](C(=O)NNC(C)=O)C(=O)OC(C)(C)C	864427868	YXGWDAHCQWSMNG-SSDOTTSWSA-N	246.263	-0.490	50	10	BBGE	
OB(O)c1cccc(F)c1CN1C[C@@H]2C[C@H]2C1	1232756376	POXPTYOWNCQUGY-IUCAKERBSA-N	235.067	-0.043	50	10	BBGE	
C[C@@H](NNC(=O)[C@H]1C[C@H]1C(N)=O)C(F)(F)F	1301179769	CRQOOGMOOYASIY-WDCZJNDASA-N	239.197	-0.321	50	10	BBGE	
Cc1cc(C#N)c(O)nc1C(=O)NN(C)C(N)=O	1446338013	OGEAFFNDKPBSOA-UHFFFAOYSA-N	249.230	-0.377	50	10	BBGE	
CO[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1	1526855463	BCOPQRSQRYSSIO-HTQZYQBOSA-N	230.264	-0.262	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)Cc1cc[nH]n1	1543223508	QEKGOQZNQROXIP-SGJFDWMWSA-N	238.247	-0.963	50	10	BBGE	
CN(NC(=O)c1n[nH]cc1F)C(N)=O	1596554259	FBFHHHYPVAKBCX-UHFFFAOYSA-N	201.161	-0.796	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccsn1	1627100159	UFSOGUZVEWXZFT-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
N#CCCNC(=O)NNC(=O)N=c1cc[nH]cc1	1634809322	PXXHZVLXBNMATE-UHFFFAOYSA-N	248.246	-0.247	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCn2c(nn(C)c2=O)C1	1857663404	CGHUCQSPKAINOQ-ZCFIWIBFSA-N	244.682	-0.449	50	10	BBGE	
O=C[C@H](O)C(=O)N(CCCl)CCCl	1866359079	VIWQAAAPEMQLGK-LURJTMIESA-N	228.075	-0.148	50	10	BBGE	
O=C(N[C@@H]1CONC1=O)[C@@H]1C[C@H]1Br	1877336941	RLTPLIOCDCQRTG-UOWFLXDJSA-N	249.064	-0.684	50	10	BBGE	
NC[C@H](CO)C(=O)NCC(Cl)Cl	1881070291	YBZQJTFQVAYKFJ-SCSAIBSYSA-N	215.080	-0.527	50	10	BBGE	
O=C(NOC1CNC1)[C@@H]1C[C@@H]1Br	1881353963	QKISLNGVBMOPNJ-RITPCOANSA-N	235.081	-0.211	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)C[C@@H]1CN	1882311863	OBUCDNSFZMDYQP-XLPZGREQSA-N	203.673	-0.489	50	10	BBGE	
O[C@@H]1CNCCN(C[C@H]2C[C@H]2Cl)C1	1883552627	NOLZRAWCIGICII-IWSPIJDZSA-N	204.701	-0.120	50	10	BBGE	
NNC(=O)NCC[C@@H]1CCNC(=O)C1	1885786149	BVMJTRYGRPMLAX-LURJTMIESA-N	200.242	-0.924	50	10	BBGE	
CS[C@H]1C[C@H](C(=O)NCB(O)O)C1	1886770130	WXOFXAWQGNCBAA-IZLXSQMJSA-N	203.072	-0.744	50	10	BBGE	
O=C1NC(=O)[C@@H]2CCN(C(=O)F)C[C@@H]12	1887186823	SJZUHXRERKGAFA-RFZPGFLSSA-N	200.169	-0.330	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1CC(=O)NN	1892801076	KTEGOZQXUWOXRT-HTQZYQBOSA-N	201.270	-0.933	50	10	BBGE	
O=C(NC1(C(=O)O)COC1)[C@H]1C[C@H]1Cl	1893453022	KBKJTWGSDLKHEW-CRCLSJGQSA-N	219.624	-0.417	50	10	BBGE	
O=C(C[C@@]12CCC[C@@H]1C2)NCC#CB(O)O	1897283517	JYGISQJGVNQCMS-KOLCDFICSA-N	221.065	-0.302	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	1900376747	NRIXSKWUCFVQKH-QCLAVDOMSA-N	227.308	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1[C@@H](C)C[C@@H]1C	1901076975	ZBVCZVYECJQUCQ-XHNCKOQMSA-N	229.324	-0.032	50	10	BBGE	
CN(NC(=O)C1(CN)CCCC1)S(C)(=O)=O	1901339862	UXIUGXOZVWNABY-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
CN(C)CCC(=O)N1CC[C@@](C)(B(O)O)C1	1902517471	IVRHJKCLDKACLE-SNVBAGLBSA-N	228.101	-0.597	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)[C@@H]1CCOC1	1902636834	CTSBDUZLBNVOED-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
CC(C)(CN)Nc1cc(B(O)O)c(F)cn1	1903009729	GVWXFSCWMDEHLN-UHFFFAOYSA-N	227.048	-0.950	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)N1CC=C(C#N)CC1	1911226742	HHMQSDXSRQWVBD-IONNQARKSA-N	209.249	-0.623	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C(=O)[C@@H]1C	1912243308	AMMWOJRCSXNJDB-BWZBUEFSSA-N	213.281	-0.273	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]12CCOC2	1915573043	NINKSXIVVASNGJ-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(OC)CC1	1915710925	PBNLINWYBSTLBI-VIFPVBQESA-N	230.312	-0.676	50	10	BBGE	
CC(C)(CC(=O)NNCCO)C(=O)O	1929835822	YMSWJDLIPHUPID-UHFFFAOYSA-N	204.226	-0.900	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1930174566	DYIWKDCAGQSCAI-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
CC(C)(C(=O)NNC(N)=O)[C@H]1CCCO1	1930195955	KARXIROAVGEBSE-ZCFIWIBFSA-N	215.253	-0.109	50	10	BBGE	
CS(=O)(=O)CC(=O)NC[C@@H](Cl)CF	1930562422	PLGUNSXZXHXEDI-YFKPBYRVSA-N	231.676	-0.276	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]2(CCO2)C1	1932813208	XSQQOKPQEIAMHO-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
Cn1nnc(CNC[C@@H]2COC[C@H]2Cl)n1	1933392960	SKIDJFRDPBCLGQ-RNFRBKRXSA-N	231.687	-0.447	50	10	BBGE	
CCn1cc(OC[C@@H]2C[C@@H]2C(=O)NN)cn1	1936095156	UMVQNFFNNRSIBY-CBAPKCEASA-N	224.264	-0.092	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1C(=O)N(C)C	1940292279	VCCIHFBJKKTGSN-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@@H]1C[C@@H]1C(=O)NN)C2=O	1946991447	QGQDOIQEFGTGDA-GTIQIQKJSA-N	237.259	-0.993	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949698204	YAKKDNJWKHPQCR-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cc(F)cc(OC[C@@H]2CO2)c1	1951328576	DOVZBFPFGPYYMZ-SECBINFHSA-N	211.985	-0.717	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)[C@H](O)CCl	1951637930	BDKYYCGHRDFXBN-RNFRBKRXSA-N	243.712	-0.865	50	10	BBGE	
COC[C@H](S[C@@H](CN)C(C)C)C(=O)NN	1958095448	WSPIJORDXWSGOA-YUMQZZPRSA-N	235.353	-0.292	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](N2CC(O)C2)C1	1958216277	ANUPFAFWDNKLRP-HTQZYQBOSA-N	232.711	-0.109	50	10	BBGE	
O=C(c1ccncn1)N1CCC(B(O)O)CC1	1971373393	UTCSGNGLISFIJI-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)OCCl	1975007228	LQEICMQMRDUPFL-GBNDHIKLSA-N	239.655	-0.989	50	10	BBGE	
COC[C@]12CN([C@@H](C)C(=O)NN)C[C@]1(C)C2	1978982994	XQJGRPVSZRIGGI-LSJOCFKGSA-N	227.308	-0.277	50	10	BBGE	
Cc1cnn(-c2ccc(B(O)O)c(C)n2)c1	1981455326	YZYVGNGWRHAZMX-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@@H](C1CCOCC1)N(C)C(=O)C(=O)NN	1985813540	DKULQYOPPZVYMU-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2COCC[C@H]21	1989935333	HFWCQAKTQBIFBP-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnsc1	1991345916	RGDZYHFUWFNCHM-MRVPVSSYSA-N	238.077	-0.026	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@H]2Cl)CCN1CCO	1991682630	LIJZTEQHLMCDMO-HTQZYQBOSA-N	246.694	-0.723	50	10	BBGE	
O=C(C[C@@H]1CCCCO1)NCC#CB(O)O	1992146154	RDADOIPOMJWHCY-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
CC[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)O1	1993511820	DZRUUSPDMRPRDX-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@H]2COC[C@H](C2)C1	1995154688	YGBFODOAMJXERR-RNLVFQAGSA-N	243.332	-0.087	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(CO)CCNC2)CC1	1997459518	TWUGMGKASJQSOE-GFCCVEGCSA-N	235.287	-0.359	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1C[C@@H]2C[C@@H]2C1	1998126355	RSBXKABSZABSMA-ULAWRXDQSA-N	241.052	-0.925	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)N[C@H](CB(O)O)C(=O)O)C[C@@H]12	1998196716	PUMBMXBIMQAGJB-LGVNZDMBSA-N	241.052	-0.925	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cccn1C	2004188050	HBCVEXZWOBRZKR-UHFFFAOYSA-N	240.307	-0.537	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC2(CCO2)C1	2004491231	SFDRHUPGLGZPHZ-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	2004602086	FLKVOUOTAGVSRL-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
CN(c1ccncc1B(O)O)C1CC(F)(F)C1	2004925897	XBDUBCPUBGAUHL-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
CCOCCCOc1ncc(B(O)O)cc1C	2004935161	KXETVNXOABDYKK-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1ncnc(N2C[C@@H](F)C[C@@H]2C)c1B(O)O	2004975097	UMFHJPYHESQFOT-XPUUQOCRSA-N	239.059	-0.598	50	10	BBGE	
OB(O)c1cnc(-n2ccc(C3CC3)n2)nc1	2005007724	MBMJPCWMAMFUQU-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
Cc1ncnc(Sc2ccncn2)c1B(O)O	2005008019	QNPFBGAVKBVBEP-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@H]1CCCO1	2008844385	NBDHMXZTQGHUAY-SECBINFHSA-N	237.064	-0.903	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975647	RRLRQGOWVCXYQL-SSRBZLIGSA-N	241.335	-0.154	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COC(CF)CF	2011748439	GPBYQKFAQXQEOG-UHFFFAOYSA-N	248.233	-0.152	50	10	BBGE	
NNC(=O)CCN1CC(=O)N2CCCC[C@@H]2C1	2013240582	CLMRGERBYNHGPJ-SECBINFHSA-N	240.307	-0.937	50	10	BBGE	
C[C@@H](Cn1ccc(B(O)O)n1)N1CCCCC1	2014985993	APUJHWSBQKQUEP-JTQLQIEISA-N	237.112	-0.563	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CCC[C@@H](C(=O)O)O1	2018224735	AGQGMAIBOMGKEV-SFYZADRCSA-N	245.279	-0.216	50	10	BBGE	
CC1(C)CN(CC(C)(C)C(=O)NN)C(=O)CO1	2018698800	TWEYRTBACYCESS-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cccnc1	2019208817	HYSLRZYAROFRNY-UHFFFAOYSA-N	236.275	-0.319	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)cc1	2021163555	VNRREXNYXKBZSW-UHFFFAOYSA-N	233.032	-0.560	50	10	BBGE	
OB(O)c1ccc(F)cc1CO[C@H]1CCOC1	2025714658	NISHKUFFRFTICB-JTQLQIEISA-N	240.039	-0.189	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@]12CC[C@H]1C2	2039754287	DADRFQNKSVWKMU-GWCFXTLKSA-N	245.087	-0.217	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3CCO[C@H]3C2)n1	2052554624	XFLMNZYXJFEABZ-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@@H]3C[C@@H]32)c1B(O)O	2052557019	QHYJMSPRQLUERP-KXUCPTDWSA-N	247.107	-0.300	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)C1)c1ccc(B(O)O)cc1	2079008295	HOVZLDDTRKWAOL-QWRGUYRKSA-N	249.075	-0.990	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ccccc1B(O)O	2079008738	MBTDHUFGMZRIMB-SECBINFHSA-N	246.075	-0.259	50	10	BBGE	
C=C(CN(C)c1ccc(=O)n(C)c1)B(O)O	2210281044	LRVQNQYMFYRFAH-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
C[C@H](N)CN(C)Cc1cccc(B(O)O)c1	2211131825	DFXONQQUAVHSQC-VIFPVBQESA-N	222.097	-0.855	50	10	BBGE	
OB(O)c1ccnc(S[C@@H]2CCOC2)c1F	2212600315	UWGUZDIFYNGVPN-ZCFIWIBFSA-N	243.068	-0.219	50	10	BBGE	
CN(CCC(F)F)c1cc(B(O)O)ccn1	2212602081	YIVJIYWPCCYIEO-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1ccc(B(O)O)cn1	2212607291	JCYNOSBGPPYQNU-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C1CC1	2212615815	VEZILZSNJISVOH-JTQLQIEISA-N	216.049	-0.415	50	10	BBGE	
C[C@H]1CC[C@@H]1CN(C)c1ncncc1B(O)O	2215003530	GXNPGSGKFWZZHY-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
CCN(C[C@H]1CC[C@H]1C(=O)NN)C1CN(C)C1	2215774339	WJTWXZFYEBZZPQ-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC2(COC2)C1	2215777863	VPLCOWNSNRHNSF-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNC23CCC3)nc1	2217187670	CCFFBOXHFQPXQC-SECBINFHSA-N	234.064	-0.965	50	10	BBGE	
C[C@H](CCCN)COc1ccc(B(O)O)cn1	2217193726	WTWWCVROCXKHGA-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CCC[C@@H](COC)Nc1cc(B(O)O)ccn1	2217194527	AQQAUJCCMWEOQE-JTQLQIEISA-N	238.096	-0.012	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C=CCCC1	2217408488	GQPRWMOIMHYSDP-VIFPVBQESA-N	234.064	-0.721	50	10	BBGE	
CO[C@]12CC[C@H]1CN(c1ncccc1B(O)O)C2	2222842006	HEJHSBUVBIXMTK-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
C[C@H]1OC2(CNc3ncc(B(O)O)cn3)CC1C2	2223629563	VGRJROOJMKKOML-OBEAGUGNSA-N	249.079	-0.864	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)c1cc(B(O)O)ccn1	2223634413	KMUKNFYSEGPENR-GFCCVEGCSA-N	244.103	-0.001	50	10	BBGE	
CCN(CCNc1cc(B(O)O)ccn1)C1CC1	2223636530	KXSJPYBYZCYLAY-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)nc1	2223643989	CRUJFMFASPDKQJ-VEWYJCLLSA-N	242.087	-0.316	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cnn(C)c1	2223670518	ZDJOKRJYUSQLPA-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
CC/C=C\CNC(=O)c1nscc1B(O)O	2243348918	CAHHAAPTZURFNT-ARJAWSKDSA-N	240.093	-0.481	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12C=C[C@@H](CC1)C2	2243362041	LDNORBRSEZYNEE-ONGXEEELSA-N	219.049	-0.526	50	10	BBGE	
COC1(CNC(=O)C2CC(B(O)O)C2)CC1	2243391579	MBQYVFYUAAPPAI-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@H]1CF	2243396954	SWWDKIIZBPEOOA-PRJMDXOYSA-N	231.032	-0.954	50	10	BBGE	
Cc1cnc(NC(=O)C2(B(O)O)CC2)cn1	2243408102	HAHMNBIKPRJVOK-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
CCONC(=O)c1c(F)cccc1B(O)O	2243409933	RPNCDJOYMLGXRX-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
Cc1nc(C(=O)NCC2CC2)c(B(O)O)s1	2243413646	KPPRPUBINUGBDP-UHFFFAOYSA-N	240.093	-0.729	50	10	BBGE	
C#CC[C@@H](C(=O)NCC#CB(O)O)C1CC1	2243701243	ARMFEAVXAOBIFP-SNVBAGLBSA-N	219.049	-0.833	50	10	BBGE	
NNC(=O)c1cc(CN2O[C@H]3CC[C@H]2C3)on1	2247081650	KTXFXLDIJSLHQW-BQBZGAKWSA-N	238.247	-0.054	50	10	BBGE	
O=C(N1C[C@H]2C[C@]2(CO)C1)C1(B(O)O)CCC1	2247721134	AEPHRXPKAFQVKH-PSASIEDQSA-N	239.080	-0.776	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H](F)[C@H](F)C1	2247740580	MPKLJEJFFOWJHH-KNVOCYPGSA-N	244.990	-0.909	50	10	BBGE	
CC(C)(C)O[C@@H]1CCN(C(=O)C#CB(O)O)C1	2247740827	QDJWLYGJENYZPQ-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
CC(C)C1CN(C(=O)c2ccc(B(O)O)o2)C1	2247747473	OAAKWMCFLIMNCW-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC=CC2)c1	2247752917	XYKFQLNGOLEKSQ-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1	2247757086	OJRRAXQIYVTQCK-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1C[C@H]1C	2247760362	HCLRJGXCDKNJNV-HQJQHLMTSA-N	233.076	-0.187	50	10	BBGE	
C#CCOC1CN(C(=O)C2CC(B(O)O)C2)C1	2247800021	KJZFXQZPHLILTH-UHFFFAOYSA-N	237.064	-0.900	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247808455	KYFVULYPMVLLGJ-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](CN)C1	2247809925	SKKBWXUBBXVLCT-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)COCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247809961	SQEJQHNDUIRXKS-CIUDSAMLSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1CN	2247870209	GKAKQIOVIBMLEH-IUCAKERBSA-N	240.112	-0.563	50	10	BBGE	
CN1CCCC[C@@H]1CNC(=O)C1(B(O)O)CC1	2247879631	WKHGDDWRZKPQJD-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)no1	2247894035	BPDYCHPHZCUMPT-BDAKNGLRSA-N	238.052	-0.196	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895209	QBFAMSFKKLOKBW-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@@](CN)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247895407	RZNIYSIAOFCHQN-ARENWVFISA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)O1	2247896933	MBMXMXGXHQLVEH-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247896996	MRUFJNMHKNYEBU-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1N(C)C	2247897057	NNBGUNSNSRKZGK-DOLQZWNJSA-N	240.112	-0.742	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)C1CC(B(O)O)C1	2247910598	QBKVWLQCIJPGMA-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](CCC(=O)O)CNC(=O)C1(B(O)O)CC1	2248586986	KGTLCRLXXRCRQM-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
C[C@@]1(C(=O)O)CCN1C(=O)C1CC(B(O)O)C1	2248587072	LIRGAFNGNFHPLU-QIMWKCOFSA-N	241.052	-0.685	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)co2)CC=CC1	2249427945	MARKGKUWORFTHN-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CNCC12CC2	2249971683	VNZWZWQFYKBMHK-HLTSFMKQSA-N	238.096	-0.940	50	10	BBGE	
COc1ccc(B(O)O)c(OCc2ccco2)n1	2254700299	JSSICAPHPSCDKN-UHFFFAOYSA-N	249.031	-0.058	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1coc(B(O)O)c1	2255453247	PHCQTAFISCEQQD-JEEPJHCNSA-N	247.059	-0.656	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1ccoc1B(O)O	2255460969	AODMDDFJLHSEFM-KHQFGBGNSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255461990	PEIFSXYESJQDPU-VHSXEESVSA-N	248.091	-0.387	50	10	BBGE	
O=C(NCCc1ccco1)c1ccc(B(O)O)o1	2255467551	OTSGXELNOVXWOZ-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
COc1ccc(C(=O)NC2(C)CC2)cc1B(O)O	2255500708	MCTGQRMEBVIBNY-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2CCOC2)cc1B(O)O	2255512143	VQMRSZLLDZLHBI-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2n[nH]cc2B(O)O)C1	2255547425	FFMKAHANANUFLH-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
Cc1ccc(C(=O)N2CCCCO2)cc1B(O)O	2255689636	OCTCKLOMBYZQGU-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
Cc1ccc(C(=O)N(C)C2COC2)cc1B(O)O	2255735927	DHUJKMHXFNQSCV-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
O=C(N[C@H]1CCn2nccc2C1)C1(B(O)O)CC1	2255745101	NEUJGHIESXIJER-QMMMGPOBSA-N	249.079	-0.679	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCC[C@H]1C	2257487666	PAPJEYHKRVQVRY-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@H]1B(O)O	2298368598	NPFSNRPJQRIVMB-WLRJLXCNSA-N	239.080	-0.610	50	10	BBGE	
O=C(NCCC[C@H]1CCOC1)[C@@H]1C[C@H]1B(O)O	2298371467	LYVGTNLQDYUVFC-IVZWLZJFSA-N	241.096	-0.218	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC[C@H]1CO	2300362698	FMUPJTKIBWZSGR-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CCC[C@@H]1C[C@@H]1C(=O)NN	2300393170	KCCFDJNONIOPGS-YIZRAAEISA-N	242.323	-0.802	50	10	BBGE	
CNCCCOc1ccc(C=O)c(B(O)O)c1	2301453199	RLFIUXBZICNCOD-UHFFFAOYSA-N	237.064	-0.833	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](C(N)=O)C1	2302023780	QRZGCTUWNXNTJB-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)N1CC[C@](C)(B(O)O)C1	2303098488	YFTFCRBRPLJNSV-KOLCDFICSA-N	242.128	-0.162	50	10	BBGE	
CN(Cc1ncnc2c1OCCO2)C(=O)NN	2303209690	LOZPRLYLDVJZDO-UHFFFAOYSA-N	239.235	-0.737	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@@H](CO)C[C@@H](C2)C1	2303487930	RFWFKCCKJAYMGM-URLYPYJESA-N	241.335	-0.293	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)c1cc(B(O)O)c(F)cn1	2303834735	KWHRMUBHJIFOQU-HTRCEHHLSA-N	242.034	-0.305	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3CC[C@H]2C3)n1	2312770840	YFHFJPCFKMRZMD-BDAKNGLRSA-N	248.091	-0.241	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCNC1CC1	2317167449	HLSOFPQLVALHBA-UHFFFAOYSA-N	245.091	-0.598	50	10	BBGE	
COCCCNC(=O)CNC(=O)[C@H](C)Cl	41696560	JXJQVLYAHITDGL-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
CCCCN(CCO)[C@H](C)C(=O)NN	82469729	LFTKMQWJHLFQBQ-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
Cn1cnnc1SCCCC(=O)NN	82471944	IEQDVCOFKIHXJY-UHFFFAOYSA-N	215.282	-0.323	50	10	BBGE	
C[C@H](NC(=O)CBr)C(=O)N(C)C	82506498	BDXQFSWRCBTFLZ-YFKPBYRVSA-N	237.097	-0.026	50	10	BBGE	
COC(CNS(=O)(=O)CCl)OC	82513051	YKCMRADJHHIBGL-UHFFFAOYSA-N	217.674	-0.279	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NCCC(N)=O	86550179	ZCTZDDQMMWJUTC-ZCFIWIBFSA-N	242.728	-0.344	50	10	BBGE	
NNC(=O)c1ccoc1CN(CCO)C1CC1	110597029	XYXIEASSQLKPSH-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CCOC[C@H](C)N1CC(=O)OC(=O)C1	111218138	LGEZENKKIIHGDE-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
CCN(CCCO)C[C@H]1CC[C@H](C(=O)NN)O1	165707569	MQGCSZPBDMNZGT-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	166156417	QYJFFDAOVICCCC-XFWSIPNHSA-N	229.324	-0.296	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N[C@H]1CCOC1	179165025	RUQAMTJSOFTKNQ-BYPYZUCNSA-N	241.169	-0.332	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1ccnn1C	234551419	QLIHXKPZPQCKLF-LURJTMIESA-N	245.666	-0.070	50	10	BBGE	
O=CN[C@H](CCBr)C(=O)O	238634582	PDSAPIFDWIPBDW-SCSAIBSYSA-N	210.027	-0.029	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](OC)C1	300017790	CPGGRTHQPOKNLZ-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
COCC(=O)N1CCC(C)(C(=O)NN)CC1	309289191	NJVAVTHRWCDTCG-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
O=C(CCCCl)N1CC[C@](O)(CO)C1	313690123	QZERITAFYLUEQM-SECBINFHSA-N	221.684	-0.039	50	10	BBGE	
CC1(C)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	381894641	UANPSOIMQBGBAY-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
O=Cc1cc(NC2CCOCC2)cc(B(O)O)c1	382635725	CDHCRRSQZMHETJ-UHFFFAOYSA-N	249.075	-0.230	50	10	BBGE	
CC(=O)Cc1cc(CC#N)ccc1B(O)O	396139730	SVNXCJDWWXFHSM-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
O=C(O)c1cc2ccc(O)c(B(O)O)c2s1	396391922	ZTPKPSWWXTVTGP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCCO)C1CC1	404260740	VYUIJPGXHMOMBL-SNVBAGLBSA-N	229.324	-0.152	50	10	BBGE	
Cc1ccc(NS(C)(=O)=O)c(B(O)O)c1	405096743	ZOILFCPRIYPPSY-UHFFFAOYSA-N	229.066	-0.954	50	10	BBGE	
OB(O)c1cccc(CNCC2=CCOCC2)c1	585044076	YIYPRSQUGLDCLS-UHFFFAOYSA-N	247.103	-0.197	50	10	BBGE	
NC(=O)NN[C@H]1CCCC[C@H]1[N+](=O)[O-]	687758625	DGOPYWXXMDRDEM-NTSWFWBYSA-N	202.214	-0.253	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CO)CC[C@@H]1C	688741048	JWZYFEARCITSSE-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
COCCN(CCF)[C@@H](C)[C@H](C)C(=O)NN	697059376	ZEEITDPLUUDABY-IUCAKERBSA-N	235.303	-0.081	50	10	BBGE	
CC(C)O[C@H]1CCN(CCC(=O)NN)C1	701684610	CNWUFWPTZXAGQT-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
O=C(CC1CCSCC1)NCB(O)O	702016904	BAORYKQJZYGYIH-UHFFFAOYSA-N	217.099	-0.352	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1CCCC(=O)NN	706193515	AFFQDGYFWZNPDB-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1CC12CC2	707798502	BYHYBOJODHNFMO-LLVKDONJSA-N	245.087	-0.217	50	10	BBGE	
CO[C@@H](C)C(=O)N1Cc2ccc(B(O)O)cc2C1	708043965	YUHOAWNDMSPOGE-QMMMGPOBSA-N	249.075	-0.757	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCC[C@H]1O)C(=O)NN	708095568	VMGDSBQUZNWQNT-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)N1CCc2c(B(O)O)cccc21	712131536	IYWIATIQTGHUKD-UHFFFAOYSA-N	221.021	-0.505	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cccc(B(O)O)c1	713940612	UELXKWBSALTNCL-VIFPVBQESA-N	223.081	-0.305	50	10	BBGE	
CC(=O)NNC(=O)CSC(=N)NC1CC1	719140783	IMCDSXFPBFHYJD-UHFFFAOYSA-N	230.293	-0.426	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1=NCC=C1	725690876	FTBRYNYOOAXRHD-UHFFFAOYSA-N	230.032	-0.684	50	10	BBGE	
CCC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	821980387	FAGSPSKGWQXCPO-VIFPVBQESA-N	225.292	-0.009	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cc(C#N)cn1C	910167737	XMJFXGHIIGCCQA-MRVPVSSYSA-N	236.275	-0.146	50	10	BBGE	
CN1CCC[C@](O)(CC(=O)NN(C)C2CC2)C1	911295321	IRUYAKNNWAJCPG-LBPRGKRZSA-N	241.335	-0.041	50	10	BBGE	
CN(NC(=O)CCn1cnnn1)c1ccccn1	1332226418	SAEISTYLPVOFCG-UHFFFAOYSA-N	247.262	-0.374	50	10	BBGE	
COCCN(C)NC(=O)c1cnn(C)c1OC	1332923002	BWYKNUBEVOCVPQ-UHFFFAOYSA-N	242.279	-0.348	50	10	BBGE	
COC(=O)C(=O)NN=C(C)c1cn[nH]c1	1339670571	MZVVIFSOBNKXMC-UHFFFAOYSA-N	210.193	-0.577	50	10	BBGE	
O=C(NNC(=O)c1nsnc1O)NC1CC1	1583458259	HCRDKXLSZVOZCV-UHFFFAOYSA-N	243.248	-0.650	50	10	BBGE	
C=C(Cl)COc1nc(B(O)O)cs1	1882110159	GBJYMMHWMRLZIX-UHFFFAOYSA-N	219.458	-0.046	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCC[C@H](O)CO	1882383249	LJWPJEAMUXBGMR-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@H]2Br)COC1	1883538164	QQJXYXHQGCEKMU-NTSWFWBYSA-N	249.108	-0.386	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NC[C@H]1C[C@H]1Cl	1883552823	OKUAWHASHHKOCX-WNJXEPBRSA-N	206.673	-0.562	50	10	BBGE	
CNC1(C(=O)NC[C@H]2C[C@H]2Cl)COC1	1893087438	AZFAKFXJOPEBKY-RNFRBKRXSA-N	218.684	-0.282	50	10	BBGE	
O=C(NC1(C(=O)O)COC1)[C@H]1C[C@@H]1Cl	1893453025	KBKJTWGSDLKHEW-WHFBIAKZSA-N	219.624	-0.417	50	10	BBGE	
COC[C@]12C[C@H]1CN(C[C@H](C)C(=O)NN)C2	1894669440	INJXVSVBDLCGGH-ATZCPNFKSA-N	227.308	-0.419	50	10	BBGE	
CC(C)c1nnsc1CNC(=O)C(=O)NN	1899679759	KHWFGMPCQKZMBJ-UHFFFAOYSA-N	243.292	-0.732	50	10	BBGE	
NNC(=O)Cn1c(=O)nc(O)c2cscc21	1899818296	JBOCIGGBADXVLV-UHFFFAOYSA-N	240.244	-0.847	50	10	BBGE	
C#C[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	1901237038	DNGURZOKXUZAKL-MRVPVSSYSA-N	217.033	-0.388	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1NC[C@@H]1C	1901378150	XIYCRVCRMDXIBT-JGVFFNPUSA-N	249.336	-0.705	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H]1C[C@@H](O)C1	1901751869	JHDYYDOLYSYTFJ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	1902133983	FRACWQBKMIYUDQ-CIUDSAMLSA-N	229.085	-0.675	50	10	BBGE	
N[C@H]1COCC[C@@]1(NC1CC(Cl)C1)C(=O)O	1904186592	NBAAIHMWOAZDQV-UKRMECCQSA-N	248.710	-0.083	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1COC1	1915652283	ZUJOZAKDLIGMAX-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](C)CCO	1917043632	UVBNQDMWSBPOID-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNC(=O)C2)CC1	1917062345	YLOWFEZPTAVGSV-VIFPVBQESA-N	219.244	-0.195	50	10	BBGE	
Cn1nnc(C=NNC(=O)C(F)(F)F)n1	1923406320	COHDLBOJXOMJME-UHFFFAOYSA-N	222.130	-0.778	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)CCC(C)C	1924465828	JEMAVGZLNOMYBD-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
COC(=O)CCSC[C@H]1C[C@@H]1C(=O)NN	1927918697	WCYSTJOIAZXFHS-RQJHMYQMSA-N	232.305	-0.091	50	10	BBGE	
C#CCN(CC(=O)NNC(C)=O)C(C)C	1928162354	LFAJGJOCFNAYPG-UHFFFAOYSA-N	211.265	-0.503	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1CCCSC1	1928374328	CJNLBOQQOILTAI-RNFRBKRXSA-N	231.321	-0.376	50	10	BBGE	
O=C(NNCCO)[C@H]1CC12CCOCC2	1929834734	GTTJXHMNUJJPBZ-MRVPVSSYSA-N	214.265	-0.584	50	10	BBGE	
C[C@@H]1[C@H](Cn2cc(B(O)O)cn2)C1(F)F	1931659839	YQOMGUSHXAWPJU-VDTYLAMSSA-N	215.996	-0.536	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)C1CC(F)(F)C1	1932328502	CMBDWZHOFWTWEG-LURJTMIESA-N	207.224	-0.048	50	10	BBGE	
CN(C)[C@@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946163	ZFJSUBAOQPGRNB-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
CCCCN(CCO)C[C@H]1C[C@@H]1C(=O)NN	1936093798	HOSMYBVIHQZLAO-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	1936156316	FPWIFOALLLGXBA-VQVTYTSYSA-N	233.023	-0.204	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1CC[C@@H]2O)C(=O)NN	1936237109	MTNKXBMHJFZUHJ-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
CCn1nccc1CN(C)CCC(=O)NN	1937931018	YPTWXZJESAIIMZ-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1940525666	SYHNLPBHIVRCKF-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@H]2CCOC[C@H]21	1945025095	XBUONKMZYCRRMQ-VAPHQMJDSA-N	237.255	-0.062	50	10	BBGE	
NC(=O)[C@@H]1CCN1CCBr	1953190794	KWUOYZIWAHDZII-YFKPBYRVSA-N	207.071	-0.059	50	10	BBGE	
C[C@@H](CCl)CN1CC(=O)NC(=O)C1	1954823036	ZBZBWLFZTSKCIX-LURJTMIESA-N	204.657	-0.180	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@@]12CC2(F)F	1956907069	WMXLFQOMZXNMFL-INEUFUBQSA-N	204.969	-0.840	50	10	BBGE	
CC[C@@H](O)CN(CC)C[C@H](C)C(=O)NN	1959510404	BCIGFBWMBPREST-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2OCC[C@@H]2F)cc1	1968604967	ZVBBYFIXSFXYSY-QWRGUYRKSA-N	240.039	-0.128	50	10	BBGE	
Cn1ccnc1C(=O)N1CCC(B(O)O)CC1	1971372580	KJLAQDVKGGIOHY-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
C[C@@H](C[C@@H](C)NC(=O)C(=O)NN)C(F)F	1974983174	JNVZOHHSFHTNNR-CRCLSJGQSA-N	223.223	-0.228	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCn2nccc2C1	1978924141	ZDSXHBHFRFJLDF-ZCFIWIBFSA-N	223.236	-0.855	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCN(CCO)C(=O)C1	1981025190	WSBCZICTAUHZFU-MRVPVSSYSA-N	248.710	-0.333	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1C[C@H]1C[C@@H]1C(=O)NN	1981193002	WJNHNYXWCXDFNO-MMJJZXCBSA-N	245.348	-0.935	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ccc(B(O)O)cn2)C1	1981413823	KXIZZRKNGKVQDO-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
CC[C@@H](COC)Oc1ncccc1B(O)O	1981431001	UUBCNIFDTUFYSL-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
NNC(=O)C(=O)N1CCCOCC12CCC2	1987973702	KFJOBPXCHCEXIP-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
CC[C@@H](C)S(=O)(=O)N[C@H]1CCC=C1B(O)O	1991331785	PSRZSQSXVHLQKL-APPZFPTMSA-N	247.125	-0.195	50	10	BBGE	
CO[C@@H](C)CC(=O)N[C@H]1CCC=C1B(O)O	1991333216	BZWYLDYISZHCEL-CBAPKCEASA-N	227.069	-0.372	50	10	BBGE	
OC[C@H](O)CN1CCN(C[C@H]2C[C@@H]2Cl)CC1	1991451371	KJNDUXXESKQMEM-MXWKQRLJSA-N	248.754	-0.416	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCNC(=O)C1CC1	1991653759	CVZKQDUYCKWAOZ-UHFFFAOYSA-N	244.678	-0.050	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CCC[C@@]2(CO)C1	1997171116	RQWLLAXCUJNBAE-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1noc(C)n1	1997752786	REFOWHYUBLGZNH-QMMMGPOBSA-N	241.295	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1c1nccn1C	2004406340	FWNXXVKUAWUZIR-BDAKNGLRSA-N	237.307	-0.065	50	10	BBGE	
COCCCN(C)c1nccc(C)c1B(O)O	2004918366	KSXHWTVMLYBARC-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1ccoc1C(=O)NN	2011155813	ORHMGUWHWLSSAI-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012015296	LZBZQVFKQSRKSR-SCZZXKLOSA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@@H]1C1CC1	2022578791	IORHIXFMARWQBX-DTWKUNHWSA-N	234.064	-0.419	50	10	BBGE	
CN(C)C1(C)CN(Cc2ccccc2B(O)O)C1	2042513326	RNWZNZJXLDAACN-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
O=Cc1cc(B(O)O)cc(F)c1[N+](=O)[O-]	2060055024	KJFRCTUSXBSBHL-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CN(c1ncncc1B(O)O)C1C[C@@H]2CC[C@H]2C1	2070104036	ZMJQEQOBQCWMEQ-IUCAKERBSA-N	247.107	-0.219	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccn2nccc12	2077484148	VKGPWAFDZYLPHC-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCC[C@H](O)[C@@H]1O	2210148120	ZQUQHLGCXFJVRB-XSGXCZINSA-N	247.678	-0.302	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN(CCO)C1CC1	2211839765	YUNJAMBYEIIXPP-SCZZXKLOSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCSCC1=O	2211839832	ZVEWPUSHOAIXTK-YUMQZZPRSA-N	243.332	-0.422	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H]3C2=O)CCC1	2212250931	YFGOIRTYDMTZIA-SFYZADRCSA-N	223.276	-0.375	50	10	BBGE	
OB(O)c1cnccc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212287971	XLEMJFOOXOCQGX-AYMMMOKOSA-N	219.049	-0.061	50	10	BBGE	
C=C1CC(N(C)c2ccc(B(O)O)cn2)C1	2212602720	IVZNROOZMVNQDD-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]2F)c1F	2212603210	DKRQPIXKURLPRU-CAHLUQPWSA-N	228.007	-0.330	50	10	BBGE	
CC(C)(CN)COc1cc(B(O)O)ccn1	2212607489	KMQRWNNDYJJDDD-UHFFFAOYSA-N	224.069	-0.875	50	10	BBGE	
C#CC1(CNc2cc(B(O)O)ccn2)CC1	2212614907	IDNUMNMLBJBEJS-UHFFFAOYSA-N	216.049	-0.413	50	10	BBGE	
OB(O)c1cccnc1NCc1cocn1	2212615935	WWFYHYSGDWXNES-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
N[C@H]1C[C@](F)(CNc2cc(B(O)O)ccn2)C1	2217176336	VEQDEEUTCQMCHE-WAAGHKOSSA-N	239.059	-0.997	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCCCN2)nc1	2217180825	WEEXYVRDPSDCGG-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
Cn1nccc(N2[C@H]3CC[C@H]2C(=O)OC3=O)c1=O	2220033685	JJSXKOYHURUMFJ-YUMQZZPRSA-N	249.226	-0.799	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCn2ccnc2C1	2221565240	BSKCOUPMJVCRRT-NXEZZACHSA-N	249.318	-0.285	50	10	BBGE	
CN(Cc1ccccn1)c1cc(B(O)O)ccn1	2223628212	PXUDMBZDTOKXOZ-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
C[C@H]1CNCC[C@@H](Nc2ncccc2B(O)O)C1	2223651107	VARPTOQTSHYMAU-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1c1ccc(B(O)O)cn1	2223652428	JBUUEYXQJHLSMS-ZJUUUORDSA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@H]3CNCC[C@@H]32)c1	2223656952	UJKMOZKWMKVOLE-INTQDDNPSA-N	248.091	-0.862	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)[C@@H]1N	2223670512	ZCYDIBFFTCWZAC-GDGBQDQQSA-N	249.123	-0.819	50	10	BBGE	
COC[C@@H]1C=CCCN1c1ncccc1B(O)O	2223679524	QNAJRURNENJSGZ-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
CC(CO)(CO)C(=O)N[C@H]1C[C@H](Cl)C1	2241655576	OLGFLBPWGHUXMW-LJGSYFOKSA-N	221.684	-0.137	50	10	BBGE	
OB(O)c1ccnc(OCCOC(F)F)c1	2242773455	UNPFWAKEWABCML-UHFFFAOYSA-N	232.979	-0.621	50	10	BBGE	
Cc1nscc1CCNC(=O)C#CB(O)O	2243361448	BHTXTGFMZGFEEN-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
C[C@H]1COCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243363026	ADDITSUTCMQFJV-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1CO2	2243373822	VHROLARMNZCFHP-UYXSQOIJSA-N	225.053	-0.761	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCn2ccnc21	2243395903	DQLLQJYJUQLICT-BQBZGAKWSA-N	221.025	-0.907	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1nscc1B(O)O	2243399319	YVOANXJLYMNIKX-ZCFIWIBFSA-N	238.077	-0.895	50	10	BBGE	
O=C(N[C@@H]1CCCOC1)C1CC(B(O)O)C1	2243403673	ATXBIFOAZKTZHT-AMDVSUOASA-N	227.069	-0.465	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1ccsc1B(O)O	2243408685	RXIWNOZVOQIHOU-ZETCQYMHSA-N	239.105	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)Nc1cc(C)no1)B(O)O	2243434121	UXCYMYKSBHSDIS-UHFFFAOYSA-N	246.053	-0.707	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)co2)C1	2245439765	FLCLIJYPHKQYHE-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccoc1B(O)O	2247739999	DUVLFHQULNIOBY-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
CC[C@H](COC)NC(=O)c1occc1B(O)O	2247753411	GQTAYAVVDJOCDY-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C1[C@@H]2[C@H](CN1C(=O)C1(B(O)O)CC1)C2(F)F	2247756452	MDHRNMBQFFLPJP-WHFBIAKZSA-N	244.990	-0.757	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1occc1B(O)O	2247757272	QBUHIHPVSOHWGA-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C[C@@H]1NCCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247757298	QNZMQYHJJAOIPB-DTWKUNHWSA-N	240.112	-0.360	50	10	BBGE	
Cc1ccc(C(=O)NCC(F)F)c(B(O)O)c1	2247760869	PEWQCXFMCMZWSZ-UHFFFAOYSA-N	243.018	-0.330	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1F	2247798618	VWANVMTVRKQLSV-JBDRJPRFSA-N	245.059	-0.565	50	10	BBGE	
O=C(N[C@@]12CCCN(CC1)C2)[C@@H]1C[C@@H]1B(O)O	2247806048	CYZJNJQYYHFULP-YWVKMMECSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247808163	SUKGTXFQRJDZKR-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2247846828	MUWUMQUYJMDOFD-BDAKNGLRSA-N	237.064	-0.266	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850624	QRCVYFCWPPKFNM-GXSJLCMTSA-N	236.080	-0.387	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCC[C@H]1O	2247888458	ZWMGPZDBCYSDJZ-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)O1	2247897266	PYHQCDPEVZYQNU-IGORNWKESA-N	241.096	-0.126	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2C[C@@H]2B(O)O)n(C)c1C	2247898780	HQRGPAYORLGLLM-SFYZADRCSA-N	237.068	-0.162	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2248028237	HBHVAEGLYKNKBU-MUWHJKNJSA-N	235.048	-0.790	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C(=O)O	2248584704	ALYMVWUPNTUFDF-VQVTYTSYSA-N	241.052	-0.829	50	10	BBGE	
O=C(NCC1(C(=O)O)CCC1)[C@H]1C[C@H]1B(O)O	2248587798	USQQZSPJHKXSRL-NKWVEPMBSA-N	241.052	-0.780	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ncc(B(O)O)cn1	2255471882	ZNOHBQYNGRZHIP-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1cc(B(O)O)c[nH]1	2255474961	VNVMXWHWIHUFFO-KHQFGBGNSA-N	248.091	-0.530	50	10	BBGE	
Cc1cc(C(=O)Nc2cc[nH]n2)ccc1B(O)O	2255690846	IKNJWCIDYXPKDE-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(CC2CC2)C1	2255731452	GFWFASWZGRLUBN-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C#CC#CCNC(=O)Nc1ccc(B(O)O)cc1	2255889644	GYTJSGDXDBSPHZ-UHFFFAOYSA-N	242.043	-0.876	50	10	BBGE	
C#CC1(NC(=O)c2c(C)cccc2B(O)O)CC1	2258948491	YIKWNKXKSNSANN-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
O=C(N[C@H]1CO[C@H](C2CC2)C1)[C@H]1C[C@H]1B(O)O	2298368922	CARWGDFBGHYLKT-RGOKHQFPSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC([C@@H]2CC2(F)F)C1	2298369259	ORGTVUUCLZTFBE-BIIVOSGPSA-N	245.034	-0.037	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)N1C	2298375082	YHZPXAAFAJSWAQ-JLIMGVALSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298376625	GMKBFNNIKKLDMS-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCc2cccnc21	2300576549	XXBNGSRCRODXQH-SECBINFHSA-N	230.032	-0.800	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1C[C@@H](n2cnnc2)C1	2300921944	UWJJAIISBWTSRM-HLTSFMKQSA-N	239.279	-0.233	50	10	BBGE	
CCOCCNc1ccc(C=O)c(B(O)O)c1	2301452767	LTLJNPRXXFYXJX-UHFFFAOYSA-N	237.064	-0.373	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2CN(C)C[C@H]2C1)B(O)O	2301951730	CHXKEQMIJGEKFA-QWRGUYRKSA-N	238.140	-0.172	50	10	BBGE	
CNC(=O)C[C@H]1CCCCN1[C@@H](C)C(=O)NN	2303943176	PAWKGTNPTZXPRV-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
O=C(NCCO)[C@H]1SSC[C@H]1O	13384091	LHFFRRDCDOTHHS-UHNVWZDZSA-N	209.292	-0.781	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CCC[C@@H]1C(N)=O	36906239	UIPRUZIUABCDNC-PHDIDXHHSA-N	247.682	-0.200	50	10	BBGE	
Nc1c(NNC(=O)c2ccncc2)nc[nH]c1=O	40793759	REJIUESTQPZWMB-UHFFFAOYSA-N	246.230	-0.496	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1CO	82470221	OHICKIUGYZNTEC-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1ccoc1CSC[C@H](O)CO	86661871	FOCQZYFBDHVPKF-ZCFIWIBFSA-N	246.288	-0.531	50	10	BBGE	
O=C1CN(C[C@H]2CCCOC2)CC(=O)O1	111218170	DHVBZRQWMUEYPZ-MRVPVSSYSA-N	213.233	-0.202	50	10	BBGE	
CCC[C@H](C(=O)NNC(=O)CN(C)C)N(C)C	131863186	WICVDYIULCENJX-SECBINFHSA-N	244.339	-0.574	50	10	BBGE	
CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NN	167122365	QHXSZQNCMVZKRO-XSSZXYGBSA-N	213.281	-0.491	50	10	BBGE	
CCCCOCCOc1cncc(B(O)O)c1	203524481	QQLQPBFCGIUTHM-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
N#Cc1cc(B(O)O)cc(C(F)(F)F)n1	206086065	OFKNWOKYWWIZEG-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCCCO	227147692	GWLOIHPULIQZIH-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
Cn1cnnc1CNS(=O)(=O)CCCl	232298627	PBMDDCXHOYAXEO-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
C[C@@H]1CN2CCCC[C@@H]2CN1[C@H](C)C(=O)NN	251823862	PCUJOJKAIKVJJB-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
COC(=O)N[C@H]1CCN(C[C@H](C)C(=O)NN)C1	252799649	SSTSQCKXAINDTL-YUMQZZPRSA-N	244.295	-0.957	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](COC)C1	300144191	XLGSIVQTFFZHRA-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
O=C1NCN[C@H](Cl)[C@H]1Br	306736530	XNFHGCJKXDSFTL-GBXIJSLDSA-N	213.462	-0.008	50	10	BBGE	
CNC(=O)C1CN(C(=O)NC(=O)CCl)C1	307104691	CNJZPAPKRBDMPM-UHFFFAOYSA-N	233.655	-0.861	50	10	BBGE	
Cn1nnc(CN2CC(CCl)C2)n1	307404925	CPXPCENBKVDFDP-UHFFFAOYSA-N	201.661	-0.119	50	10	BBGE	
COC1CN(CCCCC(=O)NN)C1	308559425	WIWSUYNTBKYEOV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[S@](=O)C(C)(C)CC1	322033289	LFIUXSCTZXYMOZ-PWJLMRLQSA-N	247.364	-0.402	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)C(C)C	379601733	MDYHAZAGLJKCEF-SSDOTTSWSA-N	201.270	-0.212	50	10	BBGE	
OB(O)c1ccc(OCCN2C[C@H]3C[C@H]3C2)cc1	380344013	FSZYZSHFXSYWQW-PHIMTYICSA-N	247.103	-0.303	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1N(C)[C@@H](C)C(=O)NN	384683862	AYBHTYNYRGWPGE-XGEHTFHBSA-N	215.297	-0.138	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1nc(C(=O)NN)co1	384777171	HHORNXXWNQLFER-RQJHMYQMSA-N	240.263	-0.767	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C(N(C)C)[C@@H]2C1	394947631	GCGOLQJBVIKHBC-AXTSPUMRSA-N	240.351	-0.507	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cc(O)ccc1B(O)O	396024804	SAFOADDSOPKFKW-RXMQYKEDSA-N	228.440	-0.118	50	10	BBGE	
N#CCCc1ccc(/C=C/C(=O)O)cc1B(O)O	396142953	SPDFWLLBLXCYJA-GQCTYLIASA-N	245.043	-0.080	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(B(O)O)cc1	404904181	BINADBOKPGATIX-SSDOTTSWSA-N	223.037	-0.660	50	10	BBGE	
CCC[S@](=O)Nc1ccc(F)cc1B(O)O	404954200	WXVSGXJFGNQBNM-INIZCTEOSA-N	245.084	-0.009	50	10	BBGE	
C[C@H](NC(=O)C1CC1)c1cccc(B(O)O)c1	404996091	GOMNSQIXRZNMIJ-QMMMGPOBSA-N	233.076	-0.046	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1cc(B(O)O)cs1	405001214	LWFSWNDKQUGKCO-HZGVNTEJSA-N	239.105	-0.300	50	10	BBGE	
CNC(=O)Nc1cc(B(O)O)ccc1C	405156256	WSJQMYOZGRSWAW-UHFFFAOYSA-N	208.026	-0.574	50	10	BBGE	
C=CC(=O)NCCC(=O)NNc1cnccn1	490704495	LEDWRBQQMXEQOW-UHFFFAOYSA-N	235.247	-0.388	50	10	BBGE	
OB(O)c1cccc(CNCC[C@H]2CCOC2)c1	585034615	KNIUXMDRQHCMTE-NSHDSACASA-N	249.119	-0.117	50	10	BBGE	
C[C@H](CO)CN(C)[C@@H](C)[C@H](C)C(=O)NN	688395193	NKLGLCMRRVCCEU-CIUDSAMLSA-N	217.313	-0.439	50	10	BBGE	
C[C@H](CN(C)C[C@@]12COC[C@H]1C2)C(=O)NN	689285150	CZONCRCKCSBSIB-KKZNHRDASA-N	227.308	-0.419	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c(B(O)O)c1	690066754	NJFLFVBQSFQMMM-MWLCHTKSSA-N	249.075	-0.352	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(CN)CCC2)CC1	692123249	HYVXZACGOPGHFM-UHFFFAOYSA-N	237.303	-0.008	50	10	BBGE	
Cc1nn(CCCCC(=O)NN)c(=O)o1	694863947	JFYFHDXUSUPGJZ-UHFFFAOYSA-N	214.225	-0.695	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)ccc1OC	700786048	OUDJLMAHIKKQLB-QMMMGPOBSA-N	240.064	-0.211	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@H]2C1	706311589	OVAQQLVEWSBNGM-GARJFASQSA-N	240.351	-0.506	50	10	BBGE	
NS(=O)(=O)C1(CNC(=O)OCCl)CC1	714041704	WBJYOQZZARQZBC-UHFFFAOYSA-N	242.684	-0.270	50	10	BBGE	
CCn1ncnc1C=NNC(=O)[C@H]1CCCO1	848410302	MDTQNHCCDQQQGA-MRVPVSSYSA-N	237.263	-0.073	50	10	BBGE	
CC[C@@H](O)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862892740	WEXKKXBWDBWQDV-YIZRAAEISA-N	244.291	-0.138	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNc2nc[nH]n2)C1	897777581	PVMNNZBNEPRMHB-WDSKDSINSA-N	211.225	-0.327	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NCC	900385997	IIZGTGSFJICJNC-QVQDZQDPSA-N	201.226	-0.726	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1cnsn1	1133403044	GGKGQDAYGQUKOL-UHFFFAOYSA-N	239.260	-0.007	50	10	BBGE	
COCC(C)(C)C(=O)NNC(=O)c1ncon1	1134614206	HLTGXBYICLQIHU-UHFFFAOYSA-N	242.235	-0.497	50	10	BBGE	
CC(=O)NNC(=O)CCc1cncnc1	1463828202	LFRQOIOGCDWWSK-UHFFFAOYSA-N	208.221	-0.424	50	10	BBGE	
CN(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(N)=O	1466167279	BIZGTILZQPXRDX-UHFFFAOYSA-N	227.180	-0.422	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnnc1C	1583198031	PDPNPGLZVJJCAK-UHFFFAOYSA-N	209.209	-0.641	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@H]2Br)COC1	1877410860	BZDIOUQSHCVVMJ-PHDIDXHHSA-N	249.108	-0.386	50	10	BBGE	
C[C@H](COC1CCOCC1)C(=O)NN	1888714870	UZEGACLMSZUGCZ-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
COCCCN1CC[C@@](C)(B(O)O)C1	1891586722	WTNUJVQEZOPQHM-SECBINFHSA-N	201.075	-0.038	50	10	BBGE	
O=C1CCN(C(=O)[C@H]2C[C@@H]2Cl)CCN1	1893469247	HBNQCJFRQIJMSV-BQBZGAKWSA-N	216.668	-0.038	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2[C@H](C)C(=O)NN	1896280537	WIZSCVRKFCIWGH-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@H](F)C1	1900256148	DUCXXTHAQFWPBM-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
O=Cc1ccc(SC2COC2)cc1B(O)O	1901283512	GKHMUFIUEDRFIU-UHFFFAOYSA-N	238.073	-0.330	50	10	BBGE	
CC[C@H](CN)C(=O)NN(C)S(=O)(=O)C1CC1	1901348242	FDOKIMYYEASISO-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cnsc1B(O)O	1904910723	BKPPXPKJMUAJNA-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
O=C(C=Cc1ccc(F)cc1)NCB(O)O	1911738786	FWSICYJPKNZZNU-UHFFFAOYSA-N	223.012	-0.033	50	10	BBGE	
C[C@@H](Cn1nc2ccccn2c1=O)C(=O)NN	1912213918	ANNQSUNAGILXCK-ZETCQYMHSA-N	235.247	-0.878	50	10	BBGE	
C[C@@H](Cn1c2c(ccc1=O)CCC2)C(=O)NN	1912264365	NVXJOCIPCPVAQV-QMMMGPOBSA-N	235.287	-0.037	50	10	BBGE	
CC1(C(N)=O)CN(C[C@H](Cl)C#N)C1	1914184358	XKNRANVZSHDMAC-ZCFIWIBFSA-N	201.657	-0.075	50	10	BBGE	
CCN(CC(C)(C)C(=O)NN)C1COC1	1915654965	BAFYGHQJKQBFIB-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccccc1=O	1927911047	LLCZUYCKMYTROT-YUMQZZPRSA-N	207.233	-0.526	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927914211	RQQAKDDEZOUQKM-CIUDSAMLSA-N	215.297	-0.827	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1C1CC1	1927935132	VVWSNIBDGGFVTR-VIFPVBQESA-N	213.281	-0.523	50	10	BBGE	
O=C(CCl)N1C[C@]2(CO)CC[C@@]2(CO)C1	1928225366	AFNLWBUXYYDGLH-UWVGGRQHSA-N	233.695	-0.181	50	10	BBGE	
Cc1nc(C)c(C(=O)NNCCO)s1	1929835806	YEGMVABDQYJIKH-UHFFFAOYSA-N	215.278	-0.013	50	10	BBGE	
O=C(Cc1ccc(F)cc1)NNCCO	1929836606	MFWABPXSNHXRIM-UHFFFAOYSA-N	212.224	-0.019	50	10	BBGE	
C#CCN(CCCl)C(=O)[C@@H]1CCS1(=O)=O	1933487269	RKFRKZFHMGRYFR-QMMMGPOBSA-N	249.719	-0.126	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NN)[C@@H]1C	1934290624	ILDLZICPORODKN-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
O=C(Cn1cnnc1)N[C@]1(CCl)CCOC1	1937145024	GIMYNJJKNNSPPQ-VIFPVBQESA-N	244.682	-0.208	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1C	1941095696	ZYHKAPYSOFFFNE-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@H](C)C1	1944325541	VCVVLWDHXLCCTE-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
C[C@@]12C[C@H]1C(=O)N(CC(F)(F)C(=O)NN)C2=O	1946986961	CGQVVQHINASCFU-RNHFCUEFSA-N	247.201	-0.993	50	10	BBGE	
CS(=O)(=O)c1ccc([C@H](N)[C@H](O)C#N)cc1	1952819933	BFIGAUGKNGVAIW-ZJUUUORDSA-N	240.284	-0.026	50	10	BBGE	
C[C@@H](CN)SC[C@H]1C[C@H]1C(=O)NN	1954402571	OEIVPCKHTIBMAC-RRKCRQDMSA-N	203.311	-0.307	50	10	BBGE	
C[C@@H]([C@H]1CCCOC1)N(C)CC(=O)NN	1960969755	ARXXURDCEROBDK-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1964511074	VEKFKUIQCNWAJT-BDAKNGLRSA-N	226.085	-0.844	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@]2(CCCOC2)C1	1975213826	GJKCDBCGNDKVMK-IONNQARKSA-N	215.253	-0.503	50	10	BBGE	
CCCCCC(=O)N[C@H](CB(O)O)C(=O)O	1976979262	JUISALXGBMVSTM-SSDOTTSWSA-N	231.057	-0.391	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@@](=O)C[C@H]1C	1981191484	JZDYQIYXTDXJGE-RXKWCEQPSA-N	247.364	-0.546	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC([S@](C)=O)C1	1981209670	YFFSTOINJVPIQI-FVMDXXJSSA-N	247.364	-0.546	50	10	BBGE	
CC1(C)CCN(c2ncc(B(O)O)cn2)C1	1981408526	BOHWDRCOPLWJGD-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CC[C@H]2C1	1981423313	BUZZGTWJOJRBSC-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1ncccc1B(O)O	1981425832	KVTLBZYEISVTFB-WCBMZHEXSA-N	220.081	-0.004	50	10	BBGE	
CC(C)c1ncn(-c2nc(B(O)O)cs2)n1	1981454906	QZBZNWSBRUSHCV-UHFFFAOYSA-N	238.081	-0.473	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](N)CCF)CC1	1983778984	PZFYMLBHPIXREO-MRVPVSSYSA-N	229.255	-0.450	50	10	BBGE	
O=c1c(B(O)O)cccn1CCC1CCC1	1984107607	RVJJCELHIZVFNE-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
CN(c1ncc(F)cc1B(O)O)C1CCC1	1988001932	PQMWOQLWVHPCLK-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(N)C[C@@H](O)C2)CC1	1989998742	RUCIXNKVYIVPSK-JGZJWPJOSA-N	221.260	-0.479	50	10	BBGE	
C[C@@H](CC(=O)NCC#CB(O)O)P(C)(C)=O	1992144099	YEZOFQOZGMXSRR-QMMMGPOBSA-N	245.024	-0.481	50	10	BBGE	
C=C(CN1CCCC2(CC2)S1(=O)=O)B(O)O	1992159476	KQOIOQCBRMETAY-UHFFFAOYSA-N	245.109	-0.487	50	10	BBGE	
C=C(CN1C[C@]23CC[C@]2(COC3)C1)B(O)O	1992166889	ALIBBDJBUNOLOM-PHIMTYICSA-N	223.081	-0.333	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccno1	1993846053	DMYXUNKYWGTULM-UHFFFAOYSA-N	228.252	-0.887	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cnsc1	1996646548	VAOMIQQMQSIVMM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](CO)C1(C)C	1997289094	GIJGSYCDNPYHDO-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCCN1CCc2nnccc2C1	1998249920	MIJWHQIZLZDXFY-UHFFFAOYSA-N	235.291	-0.395	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC12CCN(C)CC2	2003959973	SGVMSLPSOMKMFB-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](CN1CCc2ncn(C)c2C1)C(=O)NN	2004039687	ILFALCWETZXUIM-QMMMGPOBSA-N	237.307	-0.596	50	10	BBGE	
CCCN(C[C@@H](C)C(=O)NN)[C@H]1CCNC1=O	2004315180	XBCAPXTUYMTVHM-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H](C)O1	2004936199	WHMQEAYVPYZJLA-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
CN(Cc1cccnc1)c1nc(B(O)O)cs1	2005016921	WWNKDGOVBHISGM-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
NNC(=O)N[C@H]1CCCN([C@H]2CCCOC2)C1	2005215313	DJBWBDOEHLOVFV-UWVGGRQHSA-N	242.323	-0.197	50	10	BBGE	
COC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1C	2006564186	VKJWVRLJUXPZKN-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
Cc1nc(OC[C@@H](C)N(C)C)ccc1B(O)O	2007001803	UJHIUJAIDBGDCR-MRVPVSSYSA-N	238.096	-0.601	50	10	BBGE	
CC1(C)CO[C@H](COCCCC(=O)NN)CO1	2009657348	YWCLGYRHPKZHLV-SECBINFHSA-N	246.307	-0.033	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@@H]1C1CC1	2014001539	NFGYSFBBWFIGRL-HLFFCZDVSA-N	241.335	-0.154	50	10	BBGE	
CN1[C@H]2CCC[C@H]1CN(CCCC(=O)NN)C2	2014265993	PTBODBYVYRSTLG-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2CC[C@H]2C1	2014924026	GITYLJDJZWDBBU-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@H](C)O1	2019515436	DSYBUEKQRYZLMS-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1C[C@H]2C[C@@H]2C1	2040767181	OAZLHQYNDNIWGT-RNFRBKRXSA-N	247.063	-0.859	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ccnc(B(O)O)c3)C[C@@H]12	2042945200	SRBPRTUJKSFTIW-VFWDIBGWSA-N	246.075	-0.254	50	10	BBGE	
Cn1cnc2c1CN(C[C@@H]1C[C@H]1C(=O)NN)CC2	2051113534	WSBMYLZDQMLAMM-DTWKUNHWSA-N	249.318	-0.596	50	10	BBGE	
N#Cc1cc(B(O)O)c(Cl)c([N+](=O)[O-])c1	2060102391	GRUIXXGXHUOAQI-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
C=C(Cn1c(=O)nc(O)c2ccccc21)B(O)O	2077484933	ZVIOEXHFVGDJKM-UHFFFAOYSA-N	246.031	-0.330	50	10	BBGE	
O=S(=O)(CCl)N=c1nc[nH]s1	2208980039	WSDRNWHLFCMWOB-UHFFFAOYSA-N	213.671	-0.102	50	10	BBGE	
CO[C@H](C)CN(C)Cc1cc(B(O)O)cs1	2211072860	SGZYTSPWSKQFJH-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1ccc(B(O)O)s1	2211080198	YRGWACPDCFVUSE-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
C[C@@]1(Nc2ncc(B(O)O)cn2)C=CCC1	2212603915	RWEZKSWMXKETNZ-SNVBAGLBSA-N	219.053	-0.323	50	10	BBGE	
C=CCCCN=c1cc(B(O)O)c(C)c[nH]1	2212604860	STTYZBFRQJZYER-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@@H]3C2)c1F	2212605886	LKRIBZMRAIXSCX-RNFRBKRXSA-N	222.028	-0.643	50	10	BBGE	
NCC1(Nc2ncccc2B(O)O)CCC1	2212610677	MXCZCPQLPDJALJ-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1F	2212613341	URWNIFCLAPGGEP-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
C#C[C@@H]1CCCN1c1cc(B(O)O)ccn1	2212615703	SWLKULLAIRGCTA-SNVBAGLBSA-N	216.049	-0.637	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCCC1CC1	2212716933	KLQYGHFPEVKFNE-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1N	2214597753	ZHCOWFJSIVCKMA-SKDRFNHKSA-N	234.108	-0.855	50	10	BBGE	
C[C@H](CO)CN(C)Cc1cccc(B(O)O)c1	2214598686	JPXAQJMCQSIZOX-JTQLQIEISA-N	237.108	-0.573	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCN2CC[C@H]1C2	2215775411	GSRLNWUHVAHCCV-OUAUKWLOSA-N	238.335	-0.608	50	10	BBGE	
CCCC1(O)CN(CC2(C(=O)NN)CCC2)C1	2216533221	YJIJSOXGIJJHQQ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNc1cc(B(O)O)ccn1	2217177094	FIZCLVKUWCUNPF-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
CN1CC[C@](C)(Nc2cc(B(O)O)ccn2)C1	2217199855	GHXVARCYDHTJDJ-NSHDSACASA-N	235.096	-0.733	50	10	BBGE	
C[C@]1(O)CCCN(c2ncccc2B(O)O)C1	2217205170	UUFSSCNKWBFXNS-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1C[C@@H]1CCCN=c1ncc(B(O)O)c[nH]1	2217205324	XIDHODGJLLBAFW-IUCAKERBSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3C[C@]3(O)C2)c1	2220074364	YUTZHRGGWLYDMG-AAEUAGOBSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CNC[C@H]1C2	2223644815	OBPMETPNQKFRQE-IQJOONFLSA-N	248.091	-0.862	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2c1ccc(B(O)O)cn1	2223651472	XETZWSPJQUNJHW-FOGDFJRCSA-N	248.091	-0.889	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)c1ncc(B(O)O)cn1	2223679288	NOXXGPWAZJDWCO-NSHDSACASA-N	245.091	-0.606	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccc(B(O)O)o1	2243349837	RBZZNKLPDYLRQX-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
CC(C)(C)NC(=O)c1ncccc1B(O)O	2243375096	OJOQJXYNQWYRAH-UHFFFAOYSA-N	222.053	-0.710	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243396660	PGLKXQCAGWDVRS-LPEHRKFASA-N	223.081	-0.033	50	10	BBGE	
O=C(NC1CC1)c1cccc(F)c1B(O)O	2243397577	FCRCNGKCMKHYSK-UHFFFAOYSA-N	223.012	-0.602	50	10	BBGE	
CCC1CN(C(=O)c2cscc2B(O)O)C1	2243397886	KVCLLOHKPRYBID-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
Cc1nnsc1[C@H](C)NC(=O)C#CB(O)O	2243399020	JBVCDDZDHXEOSZ-YFKPBYRVSA-N	239.065	-0.961	50	10	BBGE	
Cc1conc1CNC(=O)C1(B(O)O)CC1	2243410502	CJDDZVYFWBDQQB-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)[C@@H]1C[C@@H]1B(O)O	2243414835	IXTFZFJPBRZJSQ-YIZRAAEISA-N	227.069	-0.465	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2243420169	NRAKHPHHGCSUBL-BGZDPUMWSA-N	227.069	-0.731	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1N	2243427274	SNQAJSKUHIPNMK-JBDRJPRFSA-N	226.085	-0.955	50	10	BBGE	
Cc1ccc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]n1	2245996180	WNJFJIBYNYJQEA-BQBZGAKWSA-N	221.025	-0.992	50	10	BBGE	
NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cn1	2246042831	GEDGNGNPENKCOW-UHFFFAOYSA-N	241.232	-0.532	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1ccc(B(O)O)o1	2247740689	OBCMIXKEITXESA-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ncc(B(O)O)cn1	2247745206	FEKUWIWBKKVRGZ-SSDOTTSWSA-N	237.068	-0.925	50	10	BBGE	
NCC1(NC(=O)C2(B(O)O)CCC2)CCCC1	2247756562	NULKTFGVRRSYKO-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41)C1(B(O)O)CC1	2247756656	TWDJWOUHNXNZRQ-ULYDKBLKSA-N	233.076	-0.380	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)C1(B(O)O)CCC1	2247758727	WHNJGOPMOKBPLJ-XHNCKOQMSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)n[nH]1	2247783535	GWQWTCOUYSHCSS-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247785634	OFRBKBIIQPJZCZ-LRPJSKTQSA-N	239.080	-0.467	50	10	BBGE	
CNCCC[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789923	CTJGCEFQRCODFI-LPEHRKFASA-N	242.128	-0.256	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805159	JRQOVVVOIZOKDF-XSPKLOCKSA-N	240.112	-0.519	50	10	BBGE	
COC[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807405	HWWLZXFGBAYKTM-QEYWKRMJSA-N	241.096	-0.362	50	10	BBGE	
COC1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247808209	TYSILQMFSYHVFE-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247808608	VNRPHVNXYIYDMG-UWVGGRQHSA-N	236.080	-0.154	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](CO1)C2)[C@H]1C[C@H]1B(O)O	2247810561	YIDSYMLCPFZXIQ-LOKLDPHHSA-N	239.080	-0.465	50	10	BBGE	
CN(CC12COC(C)(C1)C2)C(=O)C#CB(O)O	2247850736	SFWZKCDRRSTDJP-UHFFFAOYSA-N	237.064	-0.971	50	10	BBGE	
CCN(CCNC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247852410	UFPIQIITBXAYJG-NXEZZACHSA-N	240.112	-0.550	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NC1CC1	2247875475	ZDWNLTCQMRVUSZ-UHFFFAOYSA-N	236.080	-0.530	50	10	BBGE	
O=C(NOC1CCCC1)c1occc1B(O)O	2247877393	AFTHNTWENFPQLC-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
C#CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCOC1	2247879499	SZBBTOWHZBFVNH-SECBINFHSA-N	237.064	-0.756	50	10	BBGE	
COC1CC(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887888	SQHMUNPHFIDHIB-QLEHZGMVSA-N	241.096	-0.267	50	10	BBGE	
Cc1ncccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247900358	WFIWOAHMQDDVPN-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H](C)C(=O)O	2248574216	QAXRYCRWFOHAST-PRJMDXOYSA-N	243.068	-0.439	50	10	BBGE	
C=CC=CCCNC(=O)c1cc(B(O)O)co1	2249420351	SNJWHCHQNDQUMG-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
N[C@H]1CC[C@H]1CNc1nccc(B(O)O)c1F	2250300736	DCARUQDOLPDGNF-XPUUQOCRSA-N	239.059	-0.950	50	10	BBGE	
O=C(Nc1nncn1C1CC1)[C@@H]1C[C@H]1B(O)O	2250333905	RPIQXYQYLPIIMB-RNFRBKRXSA-N	236.040	-0.586	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250687192	IADKSYNJAWTGDV-IEZMZVKSSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC=C[C@H]1C2	2255443919	FYGVXZCWWUHCET-WPRPVWTQSA-N	247.059	-0.250	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1nccn1C	2255445578	WNUBBASNMFCMFR-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ncncc1B(O)O	2255520331	JMNSSTROSLNHHF-ZETCQYMHSA-N	249.079	-0.973	50	10	BBGE	
CC1(NC(=O)c2ncccc2B(O)O)CC=CC1	2255520402	KDMMXEWPXRXELY-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ncccc1B(O)O	2255522350	IOHGFJBLZOCKKX-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1n[nH]cc1B(O)O	2255553769	CKWJFJBUXFSQQL-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1n[nH]cc1B(O)O	2255553770	CKWJFJBUXFSQQL-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
O=C(NCc1cnc2n1CCC2)[C@@H]1C[C@H]1B(O)O	2255683145	RGBPNEGEKAJKKW-RKDXNWHRSA-N	249.079	-0.692	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ccncc1B(O)O	2255729137	QGHNUEWRFBQFTM-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2255768399	JKJRLOHADSPPFC-KYZUINATSA-N	249.079	-0.312	50	10	BBGE	
C[C@@H](O)CC(=O)N1CCc2ccc(B(O)O)cc21	2256671019	MWLZLOSZXXZFRB-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2259938040	GNHRMQWAGCHIDE-DGCLKSJQSA-N	246.119	-0.853	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H](B(O)O)C1	2298376749	MMQJMXGTVHLPHK-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2298377219	ISONKXHRIHNRNA-HKBCETJISA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2CC1(CO)C2	2299769155	YMGNQCBFQHGJSA-VCZAYRLQSA-N	239.080	-0.777	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1S[C@@H]1CC[C@H]1O	2301341975	VBAHKXMIZKCUEK-MWLCHTKSSA-N	249.100	-0.147	50	10	BBGE	
C[C@H](CO[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	2301612985	BGRSUQFKCBRZHG-HLTSFMKQSA-N	239.279	-0.376	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H]1CN2C)C(=O)NN	2303414313	WTKKOQBGAFDACV-SCVCMEIPSA-N	240.351	-0.219	50	10	BBGE	
CC[C@](C)(CN1CC(OCCO)C1)C(=O)NN	2303420149	PXOZGOQNWVFSFY-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
CC[C@](C)(CN)Oc1cc(B(O)O)c(F)cn1	2303849164	HBRBOVXCUCVWKJ-SNVBAGLBSA-N	242.059	-0.593	50	10	BBGE	
COC(=O)NC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	2306925844	YYEBQIUCPAEYJD-BQBZGAKWSA-N	244.295	-0.959	50	10	BBGE	
CC12CC(C1)[C@@H](Nc1ccc(B(O)O)cn1)CO2	2315931367	LEJGKZQZUHGJMA-BSTRBVHOSA-N	248.091	-0.259	50	10	BBGE	
CNC[C@H](C)N(C)c1ccc(B(O)O)cc1C#N	2317151041	MLDKCVAHYTVKLO-VIFPVBQESA-N	247.107	-0.718	50	10	BBGE	
NCC1(COc2ccc(C=O)c(B(O)O)c2)CC1	2317349569	FKABOCFOGMFXCE-UHFFFAOYSA-N	249.075	-0.703	50	10	BBGE	
CC[C@H](C(=O)NN)n1ccc(C(=O)N(C)C)n1	70327659	SPLKAFSTQJJSRI-MRVPVSSYSA-N	239.279	-0.474	50	10	BBGE	
Cc1cc(Cn2cncn2)oc1C(=O)NN	82468482	LIQYEXHVAZLSFN-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
CN(CCO)Cc1csc(C(=O)NN)n1	82468868	IRWZHPVBGBOMNA-UHFFFAOYSA-N	230.293	-0.829	50	10	BBGE	
O=C(CBr)N[C@@H]1CCCNC1=O	82511060	PKCMHQLQMDSPBU-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
C[C@@H]1C(=O)N(CC(C)(C)C(=O)NN)C(=O)[C@@H]1C	118836139	PJUUMKXWUWBEMA-KNVOCYPGSA-N	241.291	-0.357	50	10	BBGE	
N#C[C@H]1CN(C[C@H](O)CBr)CCO1	158031019	NYEALPHRDAUPQU-SFYZADRCSA-N	249.108	-0.033	50	10	BBGE	
CSCCN(C)C[C@@H](C)C(=O)NN	160209180	HNEJOJPNHYQUAI-SSDOTTSWSA-N	205.327	-0.093	50	10	BBGE	
OB(O)c1cc(F)ccc1COC1COC1	218892873	RBBBZJJLVZAIHW-UHFFFAOYSA-N	226.012	-0.579	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444155	ODBVXXQXOZLFIY-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](C)C1	232419417	GDONMKUPXJTPQG-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CS[C@H]1CCCC[C@@H]1NC(=O)C(=O)NN	235055532	CTROPHJGFSLGFU-BQBZGAKWSA-N	231.321	-0.233	50	10	BBGE	
O=C(O)[C@H]1Cc2ccc(B(O)O)cc2C1	238647900	YWMGDKOCBIXYHY-QMMMGPOBSA-N	206.006	-0.834	50	10	BBGE	
O=CNCC[C@@H](Br)C(=O)O	238662000	HGUYKVORQSJQPM-SCSAIBSYSA-N	210.027	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@H](CN)C1	253178039	BNLCJKJXIZINRA-PSASIEDQSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc(F)cc1F	259029706	REKLUAFVAMUNHM-SSDOTTSWSA-N	201.176	-0.046	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)NNC(N)=S	307449654	BHBBZQCVSJXMQB-SCSAIBSYSA-N	202.283	-0.168	50	10	BBGE	
CCCN1CC(N2CC(=O)OC(=O)C2)C1	379100158	NQLXKTRAIMPGIO-UHFFFAOYSA-N	212.249	-0.534	50	10	BBGE	
COCC#Cc1ccc(C)cc1B(O)O	379997837	JAPWODUYIUVKKV-UHFFFAOYSA-N	204.034	-0.327	50	10	BBGE	
C[C@@H]1[C@@H](N=C=O)CCCN1S(=O)(=O)N(C)C	384253575	NJOXYEUUMWZETO-BDAKNGLRSA-N	247.320	-0.019	50	10	BBGE	
COC[C@@H](O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395603875	DUKSCLICQYCHDE-IUCAKERBSA-N	247.339	-0.670	50	10	BBGE	
NNC(=O)CCCn1cc(F)ccc1=O	395753924	HDTSWYWNTHQJRV-UHFFFAOYSA-N	213.212	-0.243	50	10	BBGE	
CSSCCN1CC(=O)NC(=O)C1	397836153	HFMXOUDKCYAWOI-UHFFFAOYSA-N	220.319	-0.044	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C1	398467500	CPBXSMBBDKNDFO-IWSPIJDZSA-N	242.323	-0.931	50	10	BBGE	
COC(=O)NCc1cc(B(O)O)cs1	405127651	ASMVJEOWTWQFII-UHFFFAOYSA-N	215.039	-0.716	50	10	BBGE	
N[C@@H](CCCO)c1ccc(B(O)O)cc1F	687751674	VQCLHOIBIHJENL-JTQLQIEISA-N	227.044	-0.722	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1CCCC(=O)NN	688636832	BXVDGILKMJHJIV-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1[C@H](C)CC(=O)NN	688638789	IFWDTCHZHWOGMB-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C)[C@@H]1CO	688665558	JRPLOARNSUUOOY-WPRPVWTQSA-N	243.307	-0.754	50	10	BBGE	
CN1CC[C@H](N(C)CCCCC(=O)NN)C1=O	690213910	SZOZOZVIIAWZLN-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
NC(=O)C[C@H]1CCN(S(=O)(=O)CCl)C1	690802819	DPLOTQLQJXRKON-ZCFIWIBFSA-N	240.712	-0.290	50	10	BBGE	
C[C@H](CN(C)C(C)(C)CCO)C(=O)NN	691095829	VCHYUUMOJFPXPO-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CNC1CC(C(=O)N2CCC(O)(C#N)CC2)C1	693556886	MWYJYRWLZHIZNV-UHFFFAOYSA-N	237.303	-0.139	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)CC[C@H]1N(C)C	693629712	KWTNCWHHYIFJSG-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CN(C)C(C)(C)C1	694186692	IXIDHXPCCGGDRK-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](C(F)(F)F)C1	698948613	GSYFXTFVHYZHHY-NTSWFWBYSA-N	241.213	-0.372	50	10	BBGE	
NC(=O)NNC(=O)c1cn(-c2ccccc2)nn1	700853130	SVGTXQZWVJLGJL-UHFFFAOYSA-N	246.230	-0.420	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)O)C1	704992566	DQVVWDUUFBUGNP-XVKPBYJWSA-N	243.263	-0.652	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCCC[C@H]1O)C(=O)NN	706170505	DYNIGNMCPAIPPT-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CN1CCNC(=O)CC1(C)C)C(=O)NN	708107039	GPWHWWPLPSBQPA-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@]1(C)COCCN1CCC(=O)NN	708303618	QQUMZDXJAVREEY-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1cnc[nH]1	709748241	KRUULANMUJJIPL-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@](C)(C(=O)O)C1	711513342	LITZPAVHAYLGNS-VIFPVBQESA-N	231.252	-0.652	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC2CC2)O1	713292332	YOYWMFURGMINAB-JGVFFNPUSA-N	200.238	-0.297	50	10	BBGE	
CN1CC[C@@](C)(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	716574303	YTHCEEDOFISPTF-HOTUBEGUSA-N	238.287	-0.003	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCc2n[nH]cc21)C(N)=O	770531910	GUPSZGBTWCQDOF-ZCFIWIBFSA-N	237.263	-0.129	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2(F)CC2)cn1	843552931	YUVPFZNXMVIYFK-UHFFFAOYSA-N	226.211	-0.317	50	10	BBGE	
CNC[C@@H](C)NC(=O)NNC(=O)c1ccoc1	851682483	WQOURPBUMATPBL-SSDOTTSWSA-N	240.263	-0.169	50	10	BBGE	
COC(=O)c1ccccc1NNC(=O)CO	1137817989	QOTFBGPOOUWFHR-UHFFFAOYSA-N	224.216	-0.091	50	10	BBGE	
O=C(CCl)NC[C@@H](O)[C@@H]1CCCO1	1351743692	YKBCGINFQLLIOO-RQJHMYQMSA-N	207.657	-0.119	50	10	BBGE	
CC(=O)NNC(=O)c1cnc2cccnn12	1539517895	IQKLBJMDSSQIKX-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1ccnnc1	1626756410	TXOFDBFOCXWPGV-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
O=C(O)[C@H]1C[C@H](O)CN1C(=O)CCCl	1866337522	XRXNFKQILQLJHT-NTSWFWBYSA-N	221.640	-0.338	50	10	BBGE	
CN1C[C@@H](N(C)C(=O)CCl)CC1=O	1882873144	HIVKRQBQIVKZMB-LURJTMIESA-N	204.657	-0.086	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC2(CNC(=O)C2)C1	1884793537	WBZOHHAKKQRCNI-ZCFIWIBFSA-N	216.668	-0.038	50	10	BBGE	
CO[C@H](CN)CNC(=O)[C@@H]1C[C@@H]1Cl	1888749061	RQMHEUINJCUHBA-QYNIQEEDSA-N	206.673	-0.296	50	10	BBGE	
CCC[C@@H](COC)C(=O)NNC(N)=O	1890271193	ZVMQNVWRYVFHMO-LURJTMIESA-N	203.242	-0.251	50	10	BBGE	
NC[C@](CF)(NC[C@@H]1C[C@@H]1Cl)C(=O)O	1893207934	WZPWEUHBAVLKMB-HAFWLYHUSA-N	224.663	-0.045	50	10	BBGE	
N[C@]12C[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C2	1893504979	PGUHCDIBTHTVJT-KQNBOMKASA-N	214.652	-0.132	50	10	BBGE	
CN(NC(=O)[C@]1(N)CC[C@@H]2C[C@@H]21)S(C)(=O)=O	1901374258	CNDPNNYZWIDWEG-FJXKBIBVSA-N	247.320	-0.964	50	10	BBGE	
C[C@H]1CNC[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901375355	KQQCFVAWDOWOJT-HTQZYQBOSA-N	249.336	-0.845	50	10	BBGE	
C[C@H](COC[C@@]1(C)COCCO1)C(=O)NN	1901441057	OMASFBSMFYJBBO-PSASIEDQSA-N	232.280	-0.566	50	10	BBGE	
C#Cc1ncccc1NC(=O)C#CB(O)O	1904056559	PYKFFCORKAQTHN-UHFFFAOYSA-N	213.989	-0.983	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907249774	JLBRRDKSIGTHGA-ZRUFSTJUSA-N	241.335	-0.154	50	10	BBGE	
COc1ccc(C[C@](C)(N)B(O)O)cc1	1912278358	WVZPSTGUHLSTDU-JTQLQIEISA-N	209.054	-0.033	50	10	BBGE	
CC1(C)CCCO[C@H]1Cn1cc(B(O)O)cn1	1923786594	ZJCHXLGZDLKXDE-JTQLQIEISA-N	238.096	-0.232	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](N(C)C)[C@H](O)C1	1928376636	HWISEICOCBCDGZ-HRDYMLBCSA-N	234.727	-0.005	50	10	BBGE	
CC[C@@H](O[C@@]1(C)CCOC1)C(=O)NN	1928533703	HSBXFQSPECUDPQ-APPZFPTMSA-N	202.254	-0.050	50	10	BBGE	
O=C(OCCl)N1CCOC[C@H]1[C@@H](O)CO	1928573529	KNSMVFFVLBDVJK-BQBZGAKWSA-N	239.655	-0.627	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COC[C@H]1Cl	1928685314	ODUMKNRKFASAJO-RQJHMYQMSA-N	230.655	-0.600	50	10	BBGE	
O=C(CCn1cnnn1)NCCCCl	1928688311	GDQCNZHJRRXFHV-UHFFFAOYSA-N	217.660	-0.192	50	10	BBGE	
O=C(Cn1cnnn1)NCCOCCCl	1928698337	MFKXAVGIJFYTNR-UHFFFAOYSA-N	233.659	-0.955	50	10	BBGE	
O=C(NNCCO)c1cncc(Cl)c1	1929833930	SHSRZRJRENBUKJ-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
CCCC1CN([C@H](COC)C(=O)NN)C1	1932056545	WAXCLGKUJIJVDA-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CN(C)NC(=O)C1(N)CC(C(F)F)C1	1932712313	OBHWBHJBQZZMIT-UHFFFAOYSA-N	207.224	-0.048	50	10	BBGE	
CC(C)SC1CN(CC(=O)NN)C1	1933226256	USDNFRPVQZFLKQ-UHFFFAOYSA-N	203.311	-0.198	50	10	BBGE	
COC[C@H](Cl)CN(C)C(=O)Cn1cncn1	1937141724	XAEHEKSVVAGHJT-MRVPVSSYSA-N	246.698	-0.010	50	10	BBGE	
NNC(=O)CCN1CCC(O)(C2CCC2)CC1	1940291803	PQCRBWJBNQRWFT-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)CCOCC(=O)NN)CO1	1941775871	QMRMYTPZAWBGFB-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C(Cc1cccc([N+](=O)[O-])c1)NNCCO	1944215298	GRFFQYPKEIEATQ-UHFFFAOYSA-N	239.231	-0.250	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@@H](O)CCC[C@H]2C1)C(=O)NN	1945657468	CRPIIEWQWBXPDY-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@]1(C)CO	1945883353	XRWVDICJIOKLGL-MWLCHTKSSA-N	241.335	-0.293	50	10	BBGE	
CCO[C@@H]1CCCCC[C@H]1NC(=O)C(=O)NN	1948565101	ZHXLWEJVJGXIOP-RKDXNWHRSA-N	243.307	-0.170	50	10	BBGE	
Cc1nccc(CN2CC[C@@H](B(O)O)C2)n1	1951320344	HGSAMMZPUVPQOJ-SECBINFHSA-N	221.069	-0.166	50	10	BBGE	
O=C1CN(CCCBr)CC(=O)N1	1953619021	YQOHEPOSKHXHJD-UHFFFAOYSA-N	235.081	-0.270	50	10	BBGE	
CN(C[C@@H](O)CCl)C(C)(C)C(N)=O	1954823575	JHKHWQJCVZFDNU-LURJTMIESA-N	208.689	-0.218	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCc1nnnn1C	1955558081	IUEKRLJNJKBJSU-RXMQYKEDSA-N	217.660	-0.156	50	10	BBGE	
CCOCC1CN(C[C@@H](C)C(=O)NN)C1	1960431802	ZJOJFQUCPFDETC-MRVPVSSYSA-N	215.297	-0.419	50	10	BBGE	
CS(=O)(=O)c1ccc([C@H](N)B(O)O)cc1	1961129059	KKCSKHVXYOIAFW-QMMMGPOBSA-N	229.066	-0.898	50	10	BBGE	
C[C@H](CN(C)C(=O)C(=O)NN)C(C)(F)F	1961537898	QMXUSMJLRLJFEE-RXMQYKEDSA-N	223.223	-0.274	50	10	BBGE	
CC1(C)C[C@H](CO)CN(CC(=O)NN)C1	1961684622	QUKLUYUVUCERKI-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976978598	ASVKSWFJVHDPAP-QIOHGKGESA-N	229.041	-0.925	50	10	BBGE	
CN(Cc1cnn(C)c1Cl)C(=O)C(=O)NN	1979281023	LZBMPVJHRXPTDO-UHFFFAOYSA-N	245.670	-0.978	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@@H](O)C1	1980521941	VSAJAMDTXBLSGM-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)C[C@H]1C	1981409243	KQLCKUFQSOXCHW-HTQZYQBOSA-N	221.069	-0.751	50	10	BBGE	
OB(O)c1cnc(N2CCCCO2)c(Cl)c1	1981469387	RQNIFJDDICTMRQ-UHFFFAOYSA-N	242.471	-0.053	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)c1nc(B(O)O)cs1	1981471501	JBZCFBDMHSJCIH-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ncc(B(O)O)cc1F	1981530858	QZONRTRPAKSARN-IMTBSYHQSA-N	224.044	-0.255	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)[C@H](N)C[C@H]2C1	1982246502	VWZQMDVRDMGIIU-XHNCKOQMSA-N	242.710	-0.639	50	10	BBGE	
C[C@@]1(P(C)(C)=O)CCCN1C(=O)C(=O)NN	1985308701	CWMOFPGIMLJHTN-SECBINFHSA-N	247.235	-0.062	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2ncnn12	1986338882	DFCHJPWBKYIWTE-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CCN(CCF)C[C@H]1CC[C@@H](C(=O)NN)O1	1986591103	OILMQIIUTKOIPB-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1OC2(Cn3cc(B(O)O)cn3)CC1C2	1988151169	WGDVIWBPLNGUIH-JEUQWKINSA-N	222.053	-0.870	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1(c2nn[nH]n2)CC1	1991661924	GRNWIYGZNSAISV-UHFFFAOYSA-N	241.638	-0.373	50	10	BBGE	
N=C(NO)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)CCO1	1991684487	DPRCXRICHFYQFK-VQVTYTSYSA-N	247.682	-0.203	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCC(=O)NC1=O	1991703425	GXFMWUYSDIYZRJ-XWCPEMDWSA-N	244.634	-0.771	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H]1CCOC1	2003783911	DYGCIPQGIFWNJI-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
Cc1ncnc(OC2CCOCC2)c1B(O)O	2004935831	QPQWTDCYGLIVCJ-UHFFFAOYSA-N	238.052	-0.977	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2cnccn2)n1	2004990387	GQKGOCKRWFTGKV-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
C[C@H](COc1c(F)cccc1B(O)O)N(C)C	2008376805	FVTSRZOVHDWUOT-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
Cn1ccn(C[C@H]2CC[C@@H](C(=O)NN)C2)c1=O	2010833800	VRABEMNQEPAFJH-DTWKUNHWSA-N	238.291	-0.407	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1ccoc1C(=O)NN	2011155811	ORHMGUWHWLSSAI-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC[C@@H]2O)CC1	2014134598	USTLCTUEFYXATQ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COc1cnn(-c2ncc(F)cc2B(O)O)c1	2014933012	USFMVPYENYPEOZ-UHFFFAOYSA-N	236.999	-0.905	50	10	BBGE	
CC(C)[C@@]1(C)CCN1c1ncncc1B(O)O	2016676134	SVNOHZQBRQBXCW-LLVKDONJSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1C2CCN(CC2)[C@@H]1C	2017625911	ZYRVEKRKOCGDIJ-WCABBAIRSA-N	240.351	-0.221	50	10	BBGE	
CCn1nccc1Cn1nc(C)c(B(O)O)c1C	2033257793	JRRIZDXXYGFMEQ-UHFFFAOYSA-N	248.095	-0.556	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1	2052466103	GACAITMLJTXECC-ZJUUUORDSA-N	248.091	-0.766	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2c1ncccc1B(O)O	2052490494	CVOZQEAZKSGSCP-AOOOYVTPSA-N	247.107	-0.956	50	10	BBGE	
Cc1nc(N(C)CC2CC(C)C2)ncc1B(O)O	2052552143	OFQCCRIGEQWXMP-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
CO[C@@H]1CN(CCCl)[C@@H](CO)[C@H]1OC	2209443293	AVASISCEPICAHC-DJLDLDEBSA-N	223.700	-0.068	50	10	BBGE	
OB(O)c1cscc1Cn1cncn1	2209702360	HSGPKIVPPGWDLY-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
Cc1cc(Oc2ncccc2B(O)O)n[nH]1	2212602947	AXIXMLDXNGPJLP-UHFFFAOYSA-N	219.009	-0.415	50	10	BBGE	
CCN(C[C@H](C)C#N)c1ccc(B(O)O)cn1	2217180233	RIVONOQRYASRMP-SECBINFHSA-N	233.080	-0.253	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCNC2)cc1B(O)O	2217181720	UGCNQNAFHWLUKC-SECBINFHSA-N	235.096	-0.909	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1nccc(B(O)O)c1F	2217182145	ZSEZJKPYIMFYNA-NKWVEPMBSA-N	242.059	-0.264	50	10	BBGE	
NCC1(COc2ncccc2B(O)O)CCC1	2217183477	LONKTTYJSGQBAC-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
CC[C@@]1(Oc2cc(B(O)O)ccn2)CCNC1	2217186308	ILZWNRHTVWXMSM-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3CCC[C@H]32)nc1	2217201467	PRIVPARXQMRJBO-FXBDTBDDSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ccon1	2217204531	LAPCCCKLGYIIKK-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
C[C@H]1CNCCCN1Cc1cccc(B(O)O)c1	2220053203	BOWMJVYYSNPADL-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
Cc1cnc(NCc2c[nH]nc2C)cc1B(O)O	2223639136	APXMJJGXCOTLJF-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1Nc1ncccc1B(O)O	2223671874	BPQNNWQSKAYQDD-IUCAKERBSA-N	249.123	-0.583	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CNC[C@H]1C2	2223673989	MQLKFCUKJZHVSA-NGZCFLSTSA-N	247.107	-0.829	50	10	BBGE	
CCN(CCCO)C(=O)C1(B(O)O)CCC1	2243346570	ASANDZBJGHOIJU-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC2(CC1)CC2	2243356298	FKRXYCYSXGCJCB-UHFFFAOYSA-N	221.065	-0.206	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)C1(B(O)O)CC1	2243363572	IZJQYMNICPTQAM-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
O=C(N1CCC=C[C@H]1CO)C1(B(O)O)CC1	2243365895	UODFAHUUWVYBRS-QMMMGPOBSA-N	225.053	-0.857	50	10	BBGE	
O=C(N1CCC(O)CC1)C1(B(O)O)CCC1	2243411087	NMQLLFIDVXSUTF-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2243411556	WEAZDPDMSSPRMS-BWZBUEFSSA-N	225.053	-0.571	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCCNC1	2243426325	GPZDASWSMWXJOQ-XKSSXDPKSA-N	226.085	-0.892	50	10	BBGE	
C=CCC(=O)NCc1sc(B(O)O)cc1C	2243663643	ILIRKURPZHHSJQ-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
O=C(NCCCC1(O)CC1)[C@@H]1C[C@@H]1B(O)O	2244115619	ZIZWOVZQXHVZEE-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C[C@H](CF)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	2244133633	YHIRKQXGDCVKRU-VGMNWLOBSA-N	233.287	-0.186	50	10	BBGE	
NNC(=O)C(=O)NCc1nc(C2CC2)ns1	2244864224	ZPBMFZIIESTEDO-UHFFFAOYSA-N	241.276	-0.978	50	10	BBGE	
COCC[C@@H](C)Oc1cc(B(O)O)cnc1C	2246745978	ZCVVSSBKESJDIY-MRVPVSSYSA-N	239.080	-0.126	50	10	BBGE	
CC1(O)CCC(NC(=O)C2(B(O)O)CC2)CC1	2247756921	PAVXQBLRYIMFNA-UHFFFAOYSA-N	241.096	-0.197	50	10	BBGE	
Cc1c(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cnn1C	2247786983	JMSYHHHPGWGQGI-OCAPTIKFSA-N	237.068	-0.080	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1B(O)O	2247798038	POHLBLZUBKWDCL-XKNYDFJKSA-N	238.096	-0.846	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1C(=O)C1CC(B(O)O)C1	2247808793	MNHVEOFMXZTPAR-AUXWQGHOSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccc(B(O)O)o1	2247848954	SOFBTCHFBFIYRI-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cn(C)cn1	2247852716	YPOUKIIPZKCAPK-XLPZGREQSA-N	237.068	-0.540	50	10	BBGE	
C=CC=CCCNC(=O)c1occc1B(O)O	2247853954	VBFXVCJIZBZVOU-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ncccc1B(O)O	2247866853	UDGXNVGCLTYGME-UHFFFAOYSA-N	238.027	-0.683	50	10	BBGE	
O=C(Nc1ccnnc1)c1csc(B(O)O)c1	2247868128	CUGXJIIZHLTHOL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@@]1(CO)C=CCN1C(=O)C1(B(O)O)CCC1	2247879071	PYFSYXOAEDLGFR-JTQLQIEISA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247885147	GKEIUCLJDNNKOL-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCN(C2CC2)CC1	2247895283	QVCKLJKUZJLABK-UWVGGRQHSA-N	238.096	-0.844	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247900644	YOYFZLZWBWRPMR-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cc(B(O)O)ccc1O	2248032759	ODQADZKNXZDOKZ-ZCFIWIBFSA-N	241.027	-0.840	50	10	BBGE	
C=CCNC(=O)Nc1ncc(B(O)O)cc1F	2248212107	UWUZRSAHRCULGW-UHFFFAOYSA-N	239.015	-0.792	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C[C@H](C)O	2248439117	IZJRXDYQCGGVHO-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249346313	NERRKHJRLVLEKL-VHSXEESVSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1[C@@H]2CCC[C@@H]12)c1coc(B(O)O)c1	2255454583	PZYYYRMJQLJCDN-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]1CC1CC1	2255462397	UWNVPWTXXSBYFP-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255468691	FHBLGQPRFOBZAY-SNVBAGLBSA-N	246.075	-0.774	50	10	BBGE	
O=C(Nc1ccc(F)cc1)c1cc(B(O)O)n[nH]1	2255550238	KHKNMXRESVFKAH-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1cnc(C(=O)NCC2(C)CC2)c(B(O)O)c1	2255556133	LDBWHCSEVPHBIX-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1c[nH]nc1B(O)O	2255582399	GJWAKTOUBCSYCC-IEIXJENWSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]1CC1CC1	2255673201	ORNPGAQYXMAEFL-JTQLQIEISA-N	248.091	-0.291	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)cn1)C2	2255710417	KHBDHCSMKPTPCJ-QPUJVOFHSA-N	246.075	-0.757	50	10	BBGE	
N#CCC1(CNC(=O)c2coc(B(O)O)c2)CC1	2255724662	HAMDEHOUGSZNKA-UHFFFAOYSA-N	248.047	-0.617	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cccc(C)c1B(O)O	2255734776	HDQQTTTWPCEKOM-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
C[C@H]1C(NC(=O)c2cc(B(O)O)ccc2O)[C@@H]1C	2256013824	IQDNVHZRVPZNED-RNFRBKRXSA-N	249.075	-0.544	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC[C@@H]2C[C@H]21	2256017704	TZXYWOLLDMAOLC-GMSGAONNSA-N	247.059	-0.694	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@H]2C[C@H]2C1	2257494270	XYEAWKKQGICROO-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
C=CCN(OC)C(=O)c1c(C)cccc1B(O)O	2258279162	GGHUPYDXFRCWFP-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
O=C(NC[C@H]1CO[C@H]2C[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2298369783	FLVMFYYMUHRCHP-SRQGCSHVSA-N	239.080	-0.610	50	10	BBGE	
C[C@H]1CC[C@H](CN)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369842	HIYOZPZUHUIKSZ-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2298370217	RTHWQQORZAKWPR-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]1B(O)O	2298371185	BYYUEDISVXQRSU-WNIYITNYSA-N	239.080	-0.779	50	10	BBGE	
C=CC[C@@](C)(CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371265	FQKZLDZIRHCPOP-FXPVBKGRSA-N	241.096	-0.460	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1C	2298371558	OXCPGTSYUUZHDR-UTINFBMNSA-N	240.112	-0.694	50	10	BBGE	
O=C(O)C[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2299257314	ISYUDZKORIIVDV-FKSUSPILSA-N	241.052	-0.924	50	10	BBGE	
O=C(N1CCC(O)CC1)N1CC[C@@H](B(O)O)C1	2303163594	FMVIXEIIOVNWMF-MRVPVSSYSA-N	242.084	-0.888	50	10	BBGE	
Cc1nn(-c2cc(B(O)O)ccn2)c(C)c1F	2303300010	WMVLXYMYUGWYDR-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3ccc(B(O)O)cn3)C[C@H]12	2308839736	NHANCXVKJCJMGG-VMAXQDLPSA-N	246.075	-0.254	50	10	BBGE	
CCN(CC)CCN[C@@H](C)CC(=O)NN	58862105	OICSQUHZAAYZSD-VIFPVBQESA-N	216.329	-0.314	50	10	BBGE	
O=C(CN1CC[C@H](O)C1)NNc1ccccn1	61708225	BWFNRZGUGRJJCH-VIFPVBQESA-N	236.275	-0.409	50	10	BBGE	
CC(C)N(CCCCCC(=O)NN)CC(N)=O	71292001	KVGAGKWHNDIEIL-UHFFFAOYSA-N	244.339	-0.268	50	10	BBGE	
CC(C)(CN(CCO)C1CC1)C(=O)NN	86597980	YGGLPNNEQAYKMS-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCN1C(=O)C(=O)c2ccccc21	110578815	QFAUMFMXSJBLAL-UHFFFAOYSA-N	233.227	-0.404	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](N2CCCC2)C1	110581874	UVJPDVFOEXAEIL-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
NCCCNS(=O)(=O)CBr	127374159	MWYGNAUAQRXWLO-UHFFFAOYSA-N	231.115	-0.393	50	10	BBGE	
O[C@@]1(CCl)CO[C@@](O)(CCl)CO1	137489665	JTQPEJDPXBJUPM-OLQVQODUSA-N	217.048	-0.112	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1ccc(C)n1	203618760	FDPNXPLAQKYYFO-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
C[C@H](NS(=O)(=O)Cc1ccccc1)B(O)O	205327049	OMTNVCBRMSILLH-QMMMGPOBSA-N	243.093	-0.494	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)[C@H]1CO	227214993	IINYEPSVQJAEAU-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
O=C1CC[C@H](CNS(=O)(=O)CCCl)N1	232299948	GDOJLFOFWPVFMH-ZCFIWIBFSA-N	240.712	-0.577	50	10	BBGE	
COc1ccnc(Br)c1B(O)O	238381834	FYGXATGTFBIKHJ-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
C[C@@H](C(=O)O)C(=O)NC(=O)CCCl	238419254	ODUPOGCZXWLREI-SCSAIBSYSA-N	207.613	-0.021	50	10	BBGE	
O=Cc1cc(Br)ncc1B(O)O	238631503	FEFZUTJMBMQCHP-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
O=C/C(C(=O)O)=C1/C=CN[C@@H](C(=O)O)C1	238731973	ZAFDJTOJJDHSHQ-WEWAHIQMSA-N	211.173	-0.473	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@@H]1CSC(=O)N1	294325565	YNRPGZSENXIJKL-LURJTMIESA-N	243.288	-0.241	50	10	BBGE	
OB(O)c1ccc2c(O)csc2c1O	307487430	CFNHQNHORPWPOQ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O[C@@]12CO[C@@H]([C@H](Cl)[C@H]3O[C@H]31)[C@@H]1O[C@@H]12	307651225	LOFKFQJINDDDOR-JODMUVRSSA-N	204.609	-0.728	50	10	BBGE	
CN(C)c1nc(N)c(C(=O)NN)nc1Cl	309010825	WXLQTFZTTVQHJM-UHFFFAOYSA-N	230.659	-0.618	50	10	BBGE	
CC(=O)NNc1nc2nc(O)nc(O)c2s1	334161077	SJZHTZGMWXPPAF-UHFFFAOYSA-N	241.232	-0.040	50	10	BBGE	
CCOCC(=O)NN=Cc1ccc(=N)[nH]c1	381630825	MSLGYUULMFJIDF-UHFFFAOYSA-N	222.248	-0.019	50	10	BBGE	
Cn1nnc([C@H](CCCCl)NN)n1	382417978	RDDBNNVRLRYHBA-YFKPBYRVSA-N	204.665	-0.267	50	10	BBGE	
CCOCCCN(C)[C@@H](COC)C(=O)NN	382865956	NYTJHBAFVAMMPV-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
COCC1(O)CN(C[C@H](O)CCl)C1	384000188	RWTJUDQRXXOGGH-SSDOTTSWSA-N	209.673	-0.721	50	10	BBGE	
CCN(CC)[C@H]1[C@@H]2CN([C@H](C)C(=O)NN)C[C@@H]21	384240304	HYNGXPCJTQLENJ-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@@H](N)C1	395794814	BBGZKQRCOHOUMW-BDAKNGLRSA-N	228.340	-0.186	50	10	BBGE	
NNc1cc(B(O)O)cc(C(F)(F)F)c1	396039221	IYFLCIMYJOEXBH-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
NNc1ccc(OC(F)(F)F)cc1B(O)O	396058945	XFGDXPUACXLKIG-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
Nc1c(B(O)O)ccc2cc(C(=O)O)sc12	396252692	UKBPNYASTGXBHF-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
COC[C@@H](SCCCN(C)C)C(=O)NN	400973819	PLMDOLDLPOMYPY-MRVPVSSYSA-N	235.353	-0.324	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)C(=O)C(=O)NN)CO1	401414329	SZTRQHZRMMVVNW-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)[C@H](C)CO1	403829795	PROQSIBQJICVIN-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)cc1	404965963	ILDQUBOJGYTCLO-UHFFFAOYSA-N	219.005	-0.452	50	10	BBGE	
CCN(C)C(=O)NCc1cc(B(O)O)cs1	405078360	NTPRBKKHGQLYBR-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
OCc1cc(B(O)O)c(S)cc1F	575705447	IYPNHVPVSACZSZ-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
Cc1cnn(CC(F)(F)C(=O)NN)c1	685957549	UZEOUICNOLSMEV-UHFFFAOYSA-N	204.180	-0.183	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NNC(N)=S	686472206	KLIBIPYHEKDYRC-NGJCXOISSA-N	217.294	-0.336	50	10	BBGE	
C[C@@H](CN(C)[C@@H](CO)C(C)(C)C)C(=O)NN	689789612	UCIHRKPNGDWPEJ-IUCAKERBSA-N	231.340	-0.049	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc(Cl)o1	698109840	NCONFSWFHCMNCA-UHFFFAOYSA-N	217.612	-0.461	50	10	BBGE	
C[C@H](Nc1nc(N)nc(CCl)n1)[C@@H](O)CO	698945348	VUTOLEQSYAFTRM-WHFBIAKZSA-N	247.686	-0.654	50	10	BBGE	
OB(O)c1cnn(CCCC(F)(F)F)c1	703672861	SZDYXAZFTGFIJC-UHFFFAOYSA-N	221.975	-0.095	50	10	BBGE	
C[C@H]1COC[C@@H]1C(=O)Nc1ccccc1B(O)O	705220023	XRYRXATZLDPMFU-IUCAKERBSA-N	249.075	-0.413	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C(F)F)C1	706487317	LZDNQZXZBLDVCF-LURJTMIESA-N	223.223	-0.812	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCC[C@@H]1O	708052461	YCDCXXMRSHZNNC-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1CC(C(N)=O)C1	716706812	PJDLAIYWZXYKSH-IISSFJTQSA-N	247.682	-0.297	50	10	BBGE	
NNC(=O)c1nc(CN2C[C@H]3C[C@H]3C2)ns1	724342216	GZMHBMPDIBDCIQ-OLQVQODUSA-N	239.304	-0.407	50	10	BBGE	
C#CCCNC(=O)NNC(=O)Cc1ccncc1	747498928	LHYWGLWIFMPGGE-UHFFFAOYSA-N	246.270	-0.022	50	10	BBGE	
CN(C)CC(=O)NN=C1CC(=O)N2CCC[C@H]12	799478330	BMDXYWXMFQMPIU-SECBINFHSA-N	238.291	-0.585	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1	829340834	DPVZBVVGDDCLFD-HTRCEHHLSA-N	236.231	-0.728	50	10	BBGE	
CC(=O)NCC(=O)NN(C)c1ccccn1	862756324	QEAOZQMYFXXEIX-UHFFFAOYSA-N	222.248	-0.315	50	10	BBGE	
Cc1nnc(NNC(=O)c2ncc[nH]2)nc1O	1160459580	XWEQQQNOLXDJDF-UHFFFAOYSA-N	235.207	-0.634	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2ccnc(F)c2)N1	1556155926	CSKXZVSZRFLMFT-ZCFIWIBFSA-N	224.195	-0.448	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccc(=O)n1C	1583707756	DVOYECFOZRJJEM-UHFFFAOYSA-N	238.247	-0.699	50	10	BBGE	
CCOC[C@@H]1CCC[C@@H](C(=O)NN)O1	1877235570	CIYQLDLFDHQLMH-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
N[C@@H]1CN(C[C@H]2C[C@@H]2Br)C1=O	1880436665	QHRGHSHLUYTFJH-NGJCXOISSA-N	219.082	-0.061	50	10	BBGE	
NC(=S)NNC(=O)[C@H](F)C(F)(F)F	1882213007	VURFGFUGMPPARO-SFOWXEAESA-N	219.163	-0.249	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)[C@H](O)CO	1883645946	UEKBKEVJSXANRV-BDVNFPICSA-N	207.657	-0.528	50	10	BBGE	
N#CN1CCc2scc(B(O)O)c2C1	1887080024	VKZXSOYDPANYTL-UHFFFAOYSA-N	208.051	-0.733	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1COC[C@H]1F	1888891584	GIOVFYYAEAPJFI-UHNVWZDZSA-N	224.619	-0.212	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)C[C@H]1C)C(=O)NN	1895121236	GSXYYJWUGWODOX-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
O=S1(=O)CCC(N2CC[C@@H](B(O)O)C2)CC1	1902546973	TVBFBYWDPAZOOW-MRVPVSSYSA-N	247.125	-0.888	50	10	BBGE	
C[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CCCC1	1902650327	VSEFKBDOZXKPNJ-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CCC=CCN=c1cc(B(O)O)c(F)c[nH]1	1903011085	WSRDVMWSLIQBST-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]2CC1=O)C(=O)NN	1912338515	DAIZDDTVBDVWEH-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
CN(C(=O)CCCl)[C@@H]1CCNC1=O	1916827129	WQQIQSOPRRFXMP-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CN([C@@H]1CCNC1=O)S(=O)(=O)CCCl	1916838688	LYFWCWZFYHDEQA-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1NC(=O)NC(=O)CCl	1922127530	ATRPANATMABCCT-BQBZGAKWSA-N	249.698	-0.620	50	10	BBGE	
CC1(C)CCN(CC(=O)NN)CCO1	1929634022	RBYQZXDXRJDAIV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCCSC1	1929839045	XFMFUPLSLIBYAL-SSDOTTSWSA-N	204.295	-0.257	50	10	BBGE	
CN(C)CC(C)(C)C(=O)NNCCO	1929839048	XITKDKBIBRGILC-UHFFFAOYSA-N	203.286	-0.813	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@@]1(CO)CO2	1931129996	YIICONGSAFNDOO-ZXFLCMHBSA-N	219.668	-0.024	50	10	BBGE	
NNC(=O)CCOC[C@@H]1COCCCO1	1933318265	USJUKUUUTXZGHZ-QMMMGPOBSA-N	218.253	-0.812	50	10	BBGE	
OB(O)c1ccn(CC2CC3(CC3)C2)n1	1933500244	IWCWVDADUOHZCO-UHFFFAOYSA-N	206.054	-0.247	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2CC[C@H](C1)O2	1936086397	VAYUTDUWQZXLOU-QEYWKRMJSA-N	225.292	-0.524	50	10	BBGE	
COCCN(C[C@@H]1C[C@H]1C(=O)NN)C(C)C	1936088342	MLSWNQCGMGGYGQ-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936092372	WYGZTRGBENPRBU-DSYKOEDSSA-N	225.248	-0.993	50	10	BBGE	
CO[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1F	1937152904	HJWSDWOLNJZHPA-HTQZYQBOSA-N	233.287	-0.329	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@H]1COC[C@H]1Cl	1939166660	LAKGQHMJKLKNHM-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
CCN(CCOCC(=O)NN)C1CCOCC1	1941772056	DCMNWUUYXHGOIL-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1946111172	VGCVNLZPDBTXLR-ZDCRXTMVSA-N	241.335	-0.296	50	10	BBGE	
COC[C@@]1(O)CCCN([C@@H](C)C(=O)NN)CC1	1946479307	OZXJFQAHQYCLOS-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@H]1C[C@@H]1C(=O)NN	1947069908	LEYNOAZWGJMOPS-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
CN1CCCN(CCOCC(=O)NN)CCC1	1947188456	RTGHCKHIIWFZMH-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
O=C(N[C@H]1C=CCC1)N1CC[C@@H](B(O)O)C1	1951322161	WQKIOCPFPYSKAR-BDAKNGLRSA-N	224.069	-0.037	50	10	BBGE	
O[C@H](CBr)Cn1cnnn1	1951708322	SHYZFZHXQJPHSW-SCSAIBSYSA-N	207.031	-0.571	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@@H]1CO	1953154268	XSTDIYLKOBDDIJ-RFZPGFLSSA-N	208.055	-0.122	50	10	BBGE	
COCCO[C@@H]1CCN(C(=O)NN)C1	1955283900	IKVKSYYWDZCIHS-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
CC(C)CC(=O)N[C@H](CB(O)O)C(=O)O	1958868877	FVRMOSIXSVHKPC-ZCFIWIBFSA-N	217.030	-0.925	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1C[C@H]1C(=O)NN	1959511002	KQDAMOVTYNDJOS-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@@H](O)CCl)CCN12	1960164205	SKEXWYVFNAQGMT-SFYZADRCSA-N	233.699	-0.705	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnsn1	1960520914	CLPSPWBIHNXQIC-ZCFIWIBFSA-N	229.309	-0.262	50	10	BBGE	
NNC(=O)CN1CCCO[C@@H]2CCC[C@H]21	1961267690	FHRICMYSBITHBG-RKDXNWHRSA-N	213.281	-0.380	50	10	BBGE	
CO[C@@H]1CC[C@H](CN(C)CC(=O)NN)C1	1962364691	GCSYWYYLQWUEJF-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1CNC(=O)C(=O)NN	1974823962	DVSNLASEEMIUFZ-VHWMUFPASA-N	221.207	-0.616	50	10	BBGE	
C=C1CON(CCC(F)(F)C(=O)NN)C1	1975110004	NJYRCDJUJXOGSL-UHFFFAOYSA-N	221.207	-0.195	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C)(N(C)C)C1	1976832254	FIIXBTNMGXELPV-VIFPVBQESA-N	228.340	-0.363	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC3(CC3)CO2)n1	1979362648	VNPXNLYBRWSJPJ-MRVPVSSYSA-N	222.053	-0.868	50	10	BBGE	
Cc1ccn(-c2nccc(C)c2B(O)O)n1	1981455176	WKIYGTJGMHQFGW-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CC1(O)CN(Cc2cnsc2C(=O)NN)C1	1981730651	SMLUEPUYRRIBNT-UHFFFAOYSA-N	242.304	-0.687	50	10	BBGE	
CO[C@H]1CC(CN(C)C(=O)NN)C[C@@H]1OC	1982346059	KXHCVUXUZKUJQM-IUCAKERBSA-N	231.296	-0.059	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H]1CF	1985767860	SFQLQUFLVBFLHZ-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@@H](C(F)(F)F)C1	1986847980	MBGZESPVKYWJDN-PHDIDXHHSA-N	241.213	-0.372	50	10	BBGE	
CC(C)N(C)CCCn1ccc(B(O)O)n1	1987034891	ZAVPPPFRAMAOES-UHFFFAOYSA-N	225.101	-0.707	50	10	BBGE	
CO[C@H]1CC[C@@H]1CCN(C)C(=O)C(=O)NN	1987263324	CCGPUMTWTRTUJS-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)[C@@H]1C1CC1	1990725952	RYHGKYDNSYTAEO-GXSJLCMTSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@H]1C[C@H]1Cl	1991687542	KRSOPKBRKDDESY-RRKCRQDMSA-N	244.678	-0.123	50	10	BBGE	
O=C(C1CC(Cl)C1)N1C[C@@H](O)CC12CNC2	1991702324	SIUQQXOZLXRBBC-HACHORDNSA-N	244.722	-0.061	50	10	BBGE	
C[C@@H](N)[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991714334	FLUUTZFQKPOCKB-YEMZYZDBSA-N	246.694	-0.117	50	10	BBGE	
C=C(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)B(O)O	1992146959	XWIFTJHRIQLKSI-BDAKNGLRSA-N	249.141	-0.692	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2COC[C@@H]21	1992337629	JVUSTMBUDVIPEQ-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(CCN1CC([C@H](F)CO)C1)C(=O)NN	2001909519	HMIUZMRIIRBNFB-SECBINFHSA-N	247.314	-0.345	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1ncnn1CC	2002657325	KBVGYHHQNKJDQX-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
CCC1CN(Cc2nn(C)cc2C(=O)NN)C1	2003506502	VHGNFYSPNIHHPJ-UHFFFAOYSA-N	237.307	-0.135	50	10	BBGE	
NNC(=O)CCN1CCC(n2cncn2)CC1	2004042147	VEGUDEUAZQUGTJ-UHFFFAOYSA-N	238.295	-0.705	50	10	BBGE	
CCOCCN(C)c1nccc(C)c1B(O)O	2004918357	KRQMWTALMKILGN-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006197108	FMMPDMRUSIYOQR-QGKZMRNZSA-N	241.335	-0.175	50	10	BBGE	
COC[C@H]1CN([C@H](C)C(=O)NN)CC(C)(C)O1	2008482805	VJFDPKNQGBPJKS-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)nc1	2011373677	QBEASXWGEGFPJC-OIBJUYFYSA-N	236.275	-0.750	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	2012640951	GMBYIBHJKUZEFZ-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@]2(CC[C@@H]2O)C1	2013328021	HMOUGODJVKTNKA-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C)CCOc1ncc(B(O)O)cn1	2014227114	WBLGDIFRQXVJJU-QMMMGPOBSA-N	240.068	-0.792	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC12CC(CO1)C2	2017767468	RHQDZMOGJNJHJF-INWMGODYSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CC[C@H](C)O1	2019521967	AMIIGLLOGNUPEB-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
CCC1CN(C(=O)c2ccccc2B(O)O)C1	2022199809	JTFNTDGTBIZBQO-UHFFFAOYSA-N	233.076	-0.152	50	10	BBGE	
CC[C@]12CO[C@](C(=O)NCC#CB(O)O)(C1)C2	2025055805	GDKGZFYRGATUBJ-PHIMTYICSA-N	237.064	-0.923	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(CCCO3)C2)n1	2052558175	SITVSAPYQHIAIW-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)[C@H](C)CN1C	2209951619	ABLGJTSEJSKZSN-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
NC(=O)NNC(=O)c1cccc2[nH]ncc12	2211308170	DOZMYUKBJCZTGU-UHFFFAOYSA-N	219.204	-0.124	50	10	BBGE	
CC1(C#N)CN(CC2(C(=O)NN)CCC2)C1	2212263289	UCZZEQYYADQMMN-UHFFFAOYSA-N	222.292	-0.008	50	10	BBGE	
C[C@H]1CCN1CC1(C(=O)NN)CCOCC1	2212444937	RVRAZIZLXXDRRS-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC(C)[C@H](CN)Oc1ccc(B(O)O)cn1	2212601609	QFHYLYJKIWMEPE-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2213882179	ISTOQJFZWNRYFP-HLTSFMKQSA-N	247.314	-0.204	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954440	CXBHBJRULWHXMF-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1csnc1Cn1cc(C2CC2)cn1	2214601068	DARBUXODCCFSCB-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C[C@@H](C)CO)C1	2216686472	KEOAKUUBFDJOGV-MRVPVSSYSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C1(CN2C(=O)COC2=O)CCCC1	2216870292	BWCSHCJVAKSGMN-UHFFFAOYSA-N	241.247	-0.485	50	10	BBGE	
NNC(=O)C1(CN2CC(CCO)C2)CCCC1	2216881613	MLIIJZKOZPXABK-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
C[C@@]1(CO)CCCN1c1ncccc1B(O)O	2217172777	MJOMPPYLBHBUAI-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CC1(C2CC2)CN(c2cc(B(O)O)ccn2)C1	2217175526	JYZNNFXPSPGSDK-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
COCC[C@@H](C)CNc1ncccc1B(O)O	2217180628	VJNMRUFWYZQYGA-SECBINFHSA-N	238.096	-0.154	50	10	BBGE	
C[C@H]1NCCC[C@H]1Oc1cc(B(O)O)ccn1	2217195422	KAIDKFBTDGSRGJ-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CC1(C)OCC[C@H]1Nc1ccc(B(O)O)cn1	2217195755	NGOABWBTYPAGKL-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
CN1CCC[C@@H](Nc2ncccc2B(O)O)C1	2217198436	AWSVSZAAWSCBOI-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
CC(C)N1CC(Nc2ccc(B(O)O)cn2)C1	2217200478	KNVQKKXLQYLNGA-UHFFFAOYSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@H]2C2CC2)[nH]c1	2217201680	FFPBGRUWWGBEPY-GXSJLCMTSA-N	232.092	-0.359	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCNC3(CC3)C2)nc1	2223627383	AHDPGRCKSHCWPI-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@@H]3CNC[C@@H]32)nc1	2223636996	CCQJDIAEVADOOF-DVVUODLYSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1ccc(NC[C@]23CC[C@H]2CNC3)nc1	2223641328	STVYIRBTBHMCKT-JOYOIKCWSA-N	247.107	-0.827	50	10	BBGE	
Nc1cccc(CN=c2ccc(B(O)O)c[nH]2)c1	2223670164	UEMHSQVQKQTVGE-UHFFFAOYSA-N	243.075	-0.622	50	10	BBGE	
CC(C)NC(=O)c1ccsc1B(O)O	2241468680	SGCSXAWFXWSIBC-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
CCCN(C[C@H](C)O)[C@H](C)C(=O)NN	2242074745	CSMNGSIVQICYCZ-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCC1(F)F	2243357145	RXQOZELDGONVKK-SSDOTTSWSA-N	231.007	-0.352	50	10	BBGE	
C[C@H]1CN(C(=O)c2ncsc2B(O)O)[C@H]1C	2243399380	ZTFVTNPNIFKMJY-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
CN(Cc1cscc1F)C(=O)C#CB(O)O	2243399650	OKOZLFDCHKIXQY-UHFFFAOYSA-N	241.052	-0.139	50	10	BBGE	
C#CC[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243400226	XRWJXNZTIKSQNB-SNVBAGLBSA-N	219.049	-0.736	50	10	BBGE	
CSCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2243400719	GXJZIKONOMHWNR-UHFFFAOYSA-N	242.109	-0.871	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCCCO1	2243401272	OSNWIUXGDFYSFH-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1sccc1B(O)O	2243403831	DLJKCFDPYLQNRW-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2243409120	BGQAUWMARVFOPT-SSDOTTSWSA-N	227.069	-0.635	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCC[C@@H]1C)B(O)O	2243420616	WHEOIKMATZCXGQ-VIFPVBQESA-N	247.125	-0.241	50	10	BBGE	
CC=CC(=O)N(C)Cc1sccc1B(O)O	2243685525	WITMJXNUFBAMDK-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
CC(F)(F)C(=O)Nc1ccccc1B(O)O	2243685689	ZXUDCONMUDQQEE-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
Cc1ncnc(SCC2COC2)c1B(O)O	2244486449	XGRLOPMKSRWOHC-UHFFFAOYSA-N	240.093	-0.797	50	10	BBGE	
COc1ccc(B(O)O)c(OC2CC(C)C2)n1	2247234267	ZAPALXSCPUNCSK-UHFFFAOYSA-N	237.064	-0.053	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1coc(B(O)O)c1	2247734603	TYGPHGFHQUSUMB-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
C=C1CCCN(C(=O)c2occc2B(O)O)C1	2247755662	KMPNVUNQVAZOCH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)cn1CC	2247760751	MVZDUKGRPDGACN-QMMMGPOBSA-N	236.080	-0.508	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247796885	DRIDIZKOIHUZRG-AATLWQCWSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H](CCCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805622	BVJRPOPRXXUPII-GUBZILKMSA-N	243.112	-0.093	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@]2(CO)C1	2247807018	GXZACXOFGZDNPS-FOLWWEGKSA-N	239.080	-0.920	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247808743	MJKDLIUBKIYOKU-NFTFJBJSSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCC1(F)CCNCC1)[C@@H]1C[C@@H]1B(O)O	2247809541	QAEXAZKILDCPLT-SFYZADRCSA-N	244.075	-0.943	50	10	BBGE	
O=C(NC1(CCCO)CCC1)[C@H]1C[C@@H]1B(O)O	2247810690	ZJBFKSUDBXCCSH-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
O=C(Nc1ccns1)c1ncccc1B(O)O	2247853799	RTTYFZZYLFBMLU-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)CC12CCC2	2247855683	WRZYFRYHVKKHDQ-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
CCC1(N)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247860176	STFYXEAMWCIHBY-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)C1CCCC1	2247885184	GWDJGAJMFFWFAC-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@H]1C[C@@H]1B(O)O	2247895519	AIMWEWGRFSXLIF-IUCAKERBSA-N	235.052	-0.495	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C2CC(B(O)O)C2)O1	2247906264	XHJHGMACSOHZJF-HACHORDNSA-N	241.096	-0.077	50	10	BBGE	
COCC(=O)Nc1ccc(F)c(F)c1B(O)O	2248115907	BDCYNYMIVWOTCF-UHFFFAOYSA-N	244.990	-0.771	50	10	BBGE	
C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248573510	FUWZPGREGOCMPV-XSSZXYGBSA-N	241.052	-0.828	50	10	BBGE	
CC[C@H](CCC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248574414	RHRBNAFFXXGWTF-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
CC=CC(=O)NCc1ccc(B(O)O)cc1F	2248966172	JKWLXCVUOKKWBR-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2249423137	HWRFHKWTDTZZOT-ZETCQYMHSA-N	237.064	-0.170	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC[C@H]1O	2249933037	PTGFXGKMWGXNRD-PKIKSRDPSA-N	241.096	-0.483	50	10	BBGE	
C[C@@]1(COc2cc(B(O)O)ccn2)C=CCCN1	2253541658	RVHXVWJQJQDKJN-LBPRGKRZSA-N	248.091	-0.552	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ccncc1B(O)O	2255455827	GAMFQTCETHVLFE-ZYHUDNBSSA-N	248.091	-0.320	50	10	BBGE	
C=C(C)CN(C)C(=O)c1nc(C)ccc1B(O)O	2255726549	VRHSQIBVOQKRQP-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2CC23CC3)cc1B(O)O	2255736609	QNRVVPMHGQDXOP-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2258136128	JICXRADXWZBNKG-CUJWVEQBSA-N	249.075	-0.266	50	10	BBGE	
C#CC1(NC(=O)c2ncccc2B(O)O)CCC1	2259900515	MEGCTHMXYBEKHZ-UHFFFAOYSA-N	244.059	-0.953	50	10	BBGE	
CON(CC1CC1)C(=O)c1ccc(B(O)O)cc1	2260383813	XJUIMKOOZHZTQD-UHFFFAOYSA-N	249.075	-0.220	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CC2)c1c[nH]nc1B(O)O	2260531200	KLLYRNRLQGHWCZ-RDDDGLTNSA-N	249.079	-0.848	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@@H](O)[C@H]1C2	2298168282	XFUHTSOFNXDPDJ-LADJIXMOSA-N	239.319	-0.542	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCCO[C@@H]12)[C@@H]1C[C@H]1B(O)O	2298370836	NPFSNRPJQRIVMB-VVULQXIFSA-N	239.080	-0.610	50	10	BBGE	
C[C@@]1(CO)CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374702	JDMMGOVXOJNWOX-KKZNHRDASA-N	241.096	-0.387	50	10	BBGE	
CCN(CCN)c1ccc(B(O)O)cc1C#N	2301338371	IGGLZJXUVVEICX-UHFFFAOYSA-N	233.080	-0.977	50	10	BBGE	
CC[C@](C)(CN1C[C@H](F)[C@@H](CO)C1)C(=O)NN	2303421848	AUGQMENHQJWQFZ-WCABBAIRSA-N	247.314	-0.345	50	10	BBGE	
NNC(=O)c1nnn(-c2ccccc2)c1N	1703322	HTDFXYPRHOAYRG-UHFFFAOYSA-N	218.220	-0.547	50	10	BBGE	
CC(C)c1ccc(C#N)c(=O)n1CC(=O)NN	41605372	LNVWUUZDCBYRBV-UHFFFAOYSA-N	234.259	-0.167	50	10	BBGE	
NNC(=O)CCC(=O)NCc1cccnc1	58846531	UBHYIAIKJOMSDF-UHFFFAOYSA-N	222.248	-0.532	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1C(=O)NC(=O)CCl	82477213	ZKJQBDIXSOIEGW-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C(=O)NN	82528099	AUGDGKLCCMBSFJ-YIZRAAEISA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@@H](O)[C@H]2C1	125797458	JPCXHZUTDZXXBD-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H]1CC(=O)N(CCC(=O)NN)C1	127847977	GZHNAUSWCNSKPA-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
OB(O)c1cnc(NC2CCCCC2)nc1	206037847	GSOIZIAIHVQHNY-UHFFFAOYSA-N	221.069	-0.099	50	10	BBGE	
CCN(C=O)CCc1ccc(B(O)O)cc1	208609871	AUURWTWKAKTVLG-UHFFFAOYSA-N	221.065	-0.613	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCN(C)C(=O)C1	229088320	OCNBKBKVDIOTEP-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
O=C(CCl)OC[C@H]1CN2C(=O)C[C@H]2O1	238535064	KCGJRNLZPIQVQE-IYSWYEEDSA-N	219.624	-0.274	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@H](C(=O)NN)C(C)C)C1	252797851	LQGPVXCKJXDKSS-ZJUUUORDSA-N	242.323	-0.789	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](C)C(=O)NC	300246015	FQAWHTKHMISZIE-DTWKUNHWSA-N	244.339	-0.541	50	10	BBGE	
OC[C@H]1CN(CCBr)C[C@@H]1O	306474696	WANWVGPVGOILOY-RQJHMYQMSA-N	224.098	-0.334	50	10	BBGE	
CNC(=O)C1CN(C(=O)[C@@H](C)Br)C1	307006190	KTUQLFWXBROKFR-RXMQYKEDSA-N	249.108	-0.026	50	10	BBGE	
CNc1nnc(SCC(=O)NN)s1	307388693	OPBFKRRLSUGVBI-UHFFFAOYSA-N	219.295	-0.338	50	10	BBGE	
O=C(CC1CNC1)NNC(=O)C(F)(F)F	307729502	FYUDJBZNHCMTID-UHFFFAOYSA-N	225.170	-0.694	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CC(=O)N(C)C1	309488547	XQVYRGGQZGHSAM-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(O)(C2CC2)C1	384137474	MOOUBHOLGABNBG-SECBINFHSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1CCC(=O)NN	390808657	OUIWATVBCSDYMN-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CCCN1CCN(C2CCC2)CC1	393273045	JJPQDOXVZMBOAU-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(=NNC(N)=O)[C@@H]1COCC[C@@]1(C)O	394700641	CXFDDOZNGWTUKH-IONNQARKSA-N	215.253	-0.182	50	10	BBGE	
NNc1cc(OC(F)(F)F)ccc1B(O)O	396057783	VCIHVHGYGQSHAB-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
NNc1cccc(C(F)(F)F)c1B(O)O	396108043	YQGIKIVDHQXRBY-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
COC(=O)Cc1cccc2oc(B(O)O)nc12	396114739	QGQQZGSZAUXYRS-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
Nc1cc(C=O)c2scc(B(O)O)c2c1	396273937	LLEDHGCTDSCSNT-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	405004685	OHGIFKCFQHNUPO-JOYOIKCWSA-N	247.103	-0.019	50	10	BBGE	
O=C(CC(F)(F)F)Nc1cc(B(O)O)ccn1	405041436	XROWEIZZEKVVIX-UHFFFAOYSA-N	247.969	-0.348	50	10	BBGE	
CCN(C)C(=O)Nc1cc(B(O)O)ccn1	405079109	OJXRJEUOPBPWSV-UHFFFAOYSA-N	223.041	-0.755	50	10	BBGE	
C#CCOC(=O)Nc1cc(C)ccc1B(O)O	405134595	IOSIVYUKHBXEKK-UHFFFAOYSA-N	233.032	-0.143	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)NNC(N)=S	689976733	PAKFOQDGAXLCPZ-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
Cc1nn(CCOC(C)(C)C)c(C)c1B(O)O	694274700	CXJPYVIAJORYRU-UHFFFAOYSA-N	240.112	-0.005	50	10	BBGE	
Cc1nn(CCc2ccnn2C)c(C)c1B(O)O	694308314	KYSUCBKPCQQUAM-UHFFFAOYSA-N	248.095	-0.844	50	10	BBGE	
OC[C@@H]1C[C@H](O)CN1c1nnc(CCl)o1	698135416	LAROELVLZYXLOS-WDSKDSINSA-N	233.655	-0.260	50	10	BBGE	
OB(O)c1ccc(Cn2ccnn2)cc1	699049486	LFPPRMHTUDNOBM-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
O=C(CCBr)N[C@H]1CCNC1=O	705057191	GITGEKRFRNPGDF-YFKPBYRVSA-N	235.081	-0.224	50	10	BBGE	
CCOC[C@H]1CN(CCC(=O)NN)CCO1	705880209	UQUJHAOYBOAHMM-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](C)[C@@H]1CO	708470951	YYJBLZVHBIECNA-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCC2CNC2)CC1	709456784	VJLOILAOIFXKNE-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
NC(=O)N1CCCc2cccc(B(O)O)c21	712123895	AOZQQICFCUHYPR-UHFFFAOYSA-N	220.037	-0.802	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)C(=O)NN)C12CCC2	713152817	KRPSZFKHLMGAHZ-BQBZGAKWSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)Nc2cccc(B(O)O)c2)C1	718524834	HOEYXLGHMVVELZ-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H](F)C2)ns1	724347613	LVZRJLSYNYOCDX-RXMQYKEDSA-N	245.283	-0.315	50	10	BBGE	
O=C(CN1CCCC1=O)NN=C1CCCOC1	734744593	BDGJRZAWCRDHGN-UHFFFAOYSA-N	239.275	-0.109	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CCOCC2=O)CC1	790906176	COUGGJOFBHZDDA-UHFFFAOYSA-N	249.270	-0.473	50	10	BBGE	
Cc1cccnc1NNC(=O)CNC(N)=O	792513818	ZIWKUYYETOVBCC-UHFFFAOYSA-N	223.236	-0.499	50	10	BBGE	
CCOC(=O)NNC(=O)C1(OC)CC1	843751117	YJRBIDASCGKJKH-UHFFFAOYSA-N	202.210	-0.057	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCCOC2)n1C	856048496	DRTLXKRMPOXHBJ-QMMMGPOBSA-N	239.279	-0.007	50	10	BBGE	
O=C(CCF)NNC(=O)c1cnsn1	923904670	QVVYIDNOFIFVFV-UHFFFAOYSA-N	218.213	-0.341	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C[C@H]1CCC(=O)NC1	1141855181	GNFIYVFZQFBMPK-DTWKUNHWSA-N	243.307	-0.754	50	10	BBGE	
O=S(=O)(CCCCl)NC[C@@H](O)CF	1260061448	UMMRFKKKZBRFQV-LURJTMIESA-N	233.692	-0.135	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNc1ncc(F)cn1	1295146910	MWWIHZIFUNWWJY-UHFFFAOYSA-N	237.198	-0.580	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2CC(=O)N2)cc1	1295292285	OVBOWEHLTRVTLB-SECBINFHSA-N	230.227	-0.110	50	10	BBGE	
CCC[C@H](OC)C(=O)NNC(=O)NC	1464435980	XRWSRFKNSPXFQM-LURJTMIESA-N	203.242	-0.238	50	10	BBGE	
CCC(C)(C)OCC(=O)NNC(=O)CO	1648685896	HMECTRNRVKVNJL-UHFFFAOYSA-N	218.253	-0.669	50	10	BBGE	
C[C@@H]1C[C@H]1COCCOCC(=O)NN	1877781730	SVXRLUQTGZSUHR-SFYZADRCSA-N	202.254	-0.335	50	10	BBGE	
CN(C)CCOC[C@@H]1C[C@@H]1C(=O)NN	1884725331	KDNSQJFTGYQHBV-YUMQZZPRSA-N	201.270	-0.809	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1886137307	FRAVSKITULKMHK-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
CCCN(C)Cc1nc(B(O)O)cs1	1891784056	VXSCJMBGYQZNGH-UHFFFAOYSA-N	214.099	-0.335	50	10	BBGE	
CN1CC[C@H]([C@H](N)[C@@H]2C[C@H]2Cl)S1(=O)=O	1893445606	DOEBYAXCISROHP-WCTZXXKLSA-N	238.740	-0.025	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893470633	VHNJHKXOYCNJGR-KVPKETBZSA-N	218.684	-0.547	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H](C)CCS1(=O)=O	1893851525	MGGCSHCWHBIASE-RQJHMYQMSA-N	235.309	-0.821	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)S(=O)(=O)CC	1893854269	JNVPTQPJNAPFOE-SSDOTTSWSA-N	237.325	-0.574	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@@H]2CC[C@@H]21)C(=O)NN	1896537412	JNWOWSJDNFFMRS-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
O=C(CCCl)N1CC[C@H](O)C[C@H]1CO	1899605340	IXZNMIIWXHBLDU-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCO2)ccc1F	1901307400	PSDPERXRWMJGTI-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](CNC(=O)C(=O)NN)(C2)O1	1902607017	RKDSOQKBFHIXFU-MHYGZLNHSA-N	227.264	-0.950	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)[C@@H](O)[C@H]1CF	1905009474	NMRFIPIWKXYTCF-SRQIZXRXSA-N	227.619	-0.305	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]1c1ncon1	1905879690	JWYQMJOTQSPQGD-XLPZGREQSA-N	237.263	-0.558	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21)C(=O)NN	1907867961	WRDPSLIDVWRBGV-UTINFBMNSA-N	241.335	-0.296	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@@H]2F)ncc1B(O)O	1908965121	LYFAUFIOJPJAQI-CBAPKCEASA-N	239.059	-0.741	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C	1914254140	IJZIUYDBTSQZST-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
CN(CCOCC(=O)NN)CCOC1CC1	1914552843	VHVHGOXWTVQFLO-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2[C@@H]3OCCN[C@@H]32)CC1	1917111910	HSGKGNWCBYWWHV-MXWKQRLJSA-N	233.271	-0.345	50	10	BBGE	
C[C@@H]1CCOCCN1CCCC(=O)NN	1929659067	ILOUTUVSTJMWQA-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)C1(CN2CCSCC2)CC1	1931264893	HHPCYDLITXNBFV-UHFFFAOYSA-N	215.322	-0.195	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1F	1932374861	ZWQKMBSOTOMGKC-RBXMUDONSA-N	215.272	-0.098	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1936027172	UULIRMRFBIGVOC-DJLDLDEBSA-N	233.287	-0.450	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSCC(=O)NC1CC1	1936093773	HIDAIZKJDCNPMX-POYBYMJQSA-N	243.332	-0.376	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1CO	1938248340	FCAQMCFUZNWYBM-BDAKNGLRSA-N	227.308	-0.683	50	10	BBGE	
COc1cc(OC)n(C[C@@H]2C[C@H]2C(=O)NN)n1	1944785596	IUQUKPAKPJEYOU-NKWVEPMBSA-N	240.263	-0.474	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@]1(C)CO	1945883351	XRWVDICJIOKLGL-GXSJLCMTSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@@H](C2=O)C3(F)F)CC1	1945890841	BKVXKZZDAXWPQG-WDSKDSINSA-N	245.229	-0.520	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC([C@@H]2CC2(F)F)C1	1948095192	NYXDWFRKARIWEN-JGVFFNPUSA-N	249.261	-0.422	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@@H]1CN	1954211914	KLZSNWURPYCBMA-YUMQZZPRSA-N	203.673	-0.223	50	10	BBGE	
CO[C@@H](CCO)CNS(=O)(=O)CCCl	1956646376	GYVACMOBWSQXED-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
Cn1cc([C@@H]2CCN(C(=O)NN)C2)cn1	1961483032	OROWDBKFYABRCK-SSDOTTSWSA-N	209.253	-0.207	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC([S@](C)=O)C1	1961562536	CQYGHZJEYSLRQT-MLXNANBUSA-N	233.337	-0.792	50	10	BBGE	
C[C@H](CN1CCO[C@H](CF)C1)C(=O)NN	1961592899	QIWXDZPEPSQCJU-HTQZYQBOSA-N	219.260	-0.717	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C2CNC2)CC1	1962267803	REWLWVTYTZHKSC-VIFPVBQESA-N	228.727	-0.293	50	10	BBGE	
CC12CC(C(=O)N3CC[C@H](B(O)O)C3)(CO1)C2	1967585485	FOXXUNMGJUJVIT-PUSIOWJLSA-N	239.080	-0.369	50	10	BBGE	
CC1(C)CO[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1972412179	HOSJWKOLZADOEY-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
ClCc1nnnn1CC1CN(C2COC2)C1	1981036763	ZVOOTPIYWMJRBG-UHFFFAOYSA-N	243.698	-0.258	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(F)(CO)C1	1981511655	APVKFYBIFZLYKG-MRVPVSSYSA-N	233.287	-0.593	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1=CCCC1	1984103038	ZQZFVIVHBFKXKK-UHFFFAOYSA-N	219.049	-0.362	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=C[C@@H]1CO	1984127652	BVOYCNCSOIQICE-SSDOTTSWSA-N	235.234	-0.766	50	10	BBGE	
C[C@@H](O[C@H]1C[C@@H](n2cccn2)C1)C(=O)NN	1986220742	CGNWLKUQRIDNCE-HLTSFMKQSA-N	224.264	-0.018	50	10	BBGE	
Cc1nccn1CCOC(F)(F)C(=O)NN	1986447085	YVTNVDIFFVIWTL-UHFFFAOYSA-N	234.206	-0.209	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@H]2C1	1988002662	ABAWMPPAKVCUEQ-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
NNC(=O)COCCO[C@@H]1COCC1(F)F	1991604575	RLMVAYIUKDGDEK-ZCFIWIBFSA-N	240.206	-0.956	50	10	BBGE	
NC[C@]1(CO)COCCN1C(=O)[C@@H]1C[C@@H]1Cl	1991674339	CUVCCKFDHATKFE-WEDXCCLWSA-N	248.710	-0.838	50	10	BBGE	
NC(=O)CC[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1991682238	ICKXIZLWGCCEMF-JKUQZMGJSA-N	248.666	-0.551	50	10	BBGE	
NC(=O)C1(CNC(=O)C2CC(Cl)C2)CNC1	1991695129	UREQWJQBKBLYTD-UHFFFAOYSA-N	245.710	-0.805	50	10	BBGE	
CC[C@@H](C(=O)NCC#CB(O)O)C(C)(F)F	1992139345	TWUMLPKUJUICLQ-ZETCQYMHSA-N	233.023	-0.201	50	10	BBGE	
NC(=O)C1[C@@H]2CN(c3nnc(CCl)o3)C[C@@H]12	1993433285	FKZVUYGVNVGVFP-RFZPGFLSSA-N	242.666	-0.024	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@](F)(CO)C2)CC1	1995938551	YCMLIWGPTQUDPV-LLVKDONJSA-N	245.298	-0.447	50	10	BBGE	
Cc1ocnc1CN(C)CCOCC(=O)NN	1997726430	NGBJTPYGQGVRIE-UHFFFAOYSA-N	242.279	-0.579	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@]12CCC[C@H]1C2	1998129792	BHECDLGDMKVPQZ-BYULHYEWSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnn2c1CCC2	2002485609	INZZSDNNBGGBAI-MRVPVSSYSA-N	237.307	-0.361	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@@H]1C1CC1	2014007047	NRCJXPLYDFGKMX-YUMQZZPRSA-N	249.261	-0.543	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@H](C)OC1	2019207342	BGXQZFIEEQKLEJ-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1ccccc1OCc1ccnnc1	2026213223	YUJHXCVOCSOWDI-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOc2ncccc21	2051510407	BEYHLYGHCYHIJX-IUCAKERBSA-N	248.286	-0.094	50	10	BBGE	
CN1CC[C@@H](CN(C)c2ncccc2B(O)O)C1	2052490223	BCNPFNMTTMFZCS-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
Cc1nc(-n2cc(C3CC3)cn2)ncc1B(O)O	2052596990	MRGHMJSTWRFMRY-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
N#Cc1cc(C=O)c(Cl)cc1B(O)O	2060092379	XJUIPWHWQNCPOB-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCOc1cc(C)c(C=O)c(B(O)O)c1	2060145932	JHOUZILKLSWNSY-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CO[C@H]1C[C@@H](CO[C@H](C)C(=O)NN)C1	2209987018	VDIPEHORILFNLE-PRJMDXOYSA-N	202.254	-0.194	50	10	BBGE	
OB(O)c1cnc(N2CC=CCCC2)nc1	2212601224	KTGWJIHSXDXVBT-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
C[C@H]1CCC[C@@H]1Nc1ncc(B(O)O)cn1	2212602486	FHSMORJGWPLEHB-CBAPKCEASA-N	221.069	-0.243	50	10	BBGE	
C=C1CCCN(c2cc(B(O)O)ccn2)C1	2212612277	JKKROICWXGSNIL-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
C=CCN(c1ncc(B(O)O)cn1)C(C)C	2212613537	WKEUYVXAIWTIJZ-UHFFFAOYSA-N	221.069	-0.443	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)c1cccn(C)c1=O	2213170243	NYHBWUKJQUVIES-QMMMGPOBSA-N	238.291	-0.410	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C1(CCO)CC1	2215776161	LDMRYSSWZMAIHS-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1C[C@H]2C[C@@H]2C1	2216638189	STFKMUQZUPDOLG-HTQZYQBOSA-N	233.080	-0.609	50	10	BBGE	
OB(O)c1ccnc(NCC23CC(CO2)C3)c1	2217177402	IPBZUVLLPMYLGR-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCN2)cc1B(O)O	2217178665	ACKDRWGMDDKIAH-SECBINFHSA-N	235.096	-0.766	50	10	BBGE	
CC(C)(O)C(C)(C)Nc1ncc(B(O)O)cn1	2217179496	LIAMLLYNNPZIMM-UHFFFAOYSA-N	239.084	-0.882	50	10	BBGE	
Cc1cnc(NC2CC(CO)C2)cc1B(O)O	2217181302	ZWPYSAWJNCHHKI-UHFFFAOYSA-N	236.080	-0.747	50	10	BBGE	
Cc1cnc(O[C@H]2CCCOC2)cc1B(O)O	2217181564	RSWBCMQXWPYQKI-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2OCC[C@H]2F)nc1	2217183459	LLHUFKCXMVALFW-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
OCCCCCOc1nccc(B(O)O)c1F	2217187379	XLORRDWEDSPXKV-UHFFFAOYSA-N	243.043	-0.558	50	10	BBGE	
C[C@H]1C[C@H](Oc2cc(B(O)O)ccn2)CCO1	2217194794	COPSDWJCTNCEFC-WCBMZHEXSA-N	237.064	-0.292	50	10	BBGE	
CCCC[C@@H](CN)Nc1ncccc1B(O)O	2217202525	KOJZWOPZJGLFNE-VIFPVBQESA-N	237.112	-0.309	50	10	BBGE	
CCc1nc(C)cn1-c1nccc(B(O)O)c1F	2223610750	QFVSBPPFVYYWIL-UHFFFAOYSA-N	249.054	-0.043	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CCC(N)CC1	2223664965	APGIUZWBBYSPLO-UHFFFAOYSA-N	249.123	-0.533	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1nncn1C	2223672793	HLWLGJFCMNHZGX-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)N1C	2223676138	WSHXNJHNIXOEGL-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@H]1C2	2224027677	ABKWZPFQZBCPFR-GUBZILKMSA-N	248.091	-0.641	50	10	BBGE	
C#CC#CCNS(=O)(=O)N1CC(Cl)C1	2241353161	CZBDYHJIWBAKDK-UHFFFAOYSA-N	232.692	-0.620	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C(F)(F)F	2241468822	VNBNTGMARSFREQ-SCSAIBSYSA-N	208.932	-0.931	50	10	BBGE	
CCNC(=O)N1CCC(B(O)O)CC1	2241736794	LBRJAXNDILOVQC-UHFFFAOYSA-N	200.047	-0.345	50	10	BBGE	
C[C@H](O)CCCNC(=O)C1(B(O)O)CCC1	2243347503	MSAWIFOLMHCKLM-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
C=C=CCCNC(=O)c1ncsc1B(O)O	2243359067	OHPDFCPFNRJJSV-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
O=C(C#CB(O)O)NCC1(C2CCC2)CC1	2243362573	SYDSARGNFFJPJC-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392561	UZIRMHDPQNPYLV-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
C[C@](CN)(NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243397303	YQVWCJNURIKOHL-OYNCUSHFSA-N	226.085	-0.907	50	10	BBGE	
CCCN(C)CCNC(=O)C1(B(O)O)CC1	2243411206	PTPJFNRWLFBUOO-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)O2	2243415299	RMTIVMZRPPNORY-XAVMHZPKSA-N	225.053	-0.761	50	10	BBGE	
CC=C1CN(C(=O)c2sncc2B(O)O)C1	2243415444	VEUYOXJDNFRXKV-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)CC1CC1)B(O)O	2243433214	JNINGMVPGRWXOS-QMMMGPOBSA-N	247.125	-0.337	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1(Cl)CC1	2243701447	CZMXGVMRDAAJSY-UHFFFAOYSA-N	240.455	-0.529	50	10	BBGE	
C=CCN(OC)c1cc(B(O)O)c(C)cn1	2244269138	SPOZZVHPYMANNZ-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C)[C@@H](C)C(=O)NN	2245139919	IQNWDBVJYXPOQN-DOLQZWNJSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@@H]1C	2247739758	BBNSUEIDRFAYNH-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC2(F)CC1C2	2247747886	UUEDPPPJUDPTRA-UHFFFAOYSA-N	238.027	-0.979	50	10	BBGE	
CCCN(C(=O)C1(B(O)O)CCC1)C1CNC1	2247754861	GCADKNPVKVISJF-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
N[C@@H]1CC[C@H]2CN(C(=O)C3(B(O)O)CC3)C[C@@H]12	2247759030	YFZAJWOYZLGSEH-DJLDLDEBSA-N	238.096	-0.811	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787019	JYIUOJDNDKUCCG-BZNPZCIMSA-N	237.064	-0.223	50	10	BBGE	
O=C(NC1CN(C2CCC2)C1)[C@H]1C[C@@H]1B(O)O	2247800072	KZPRFAGWNVYVOO-UWVGGRQHSA-N	238.096	-0.798	50	10	BBGE	
Cc1nc(CNC(=O)C2CC(B(O)O)C2)co1	2247801111	XFJFFXGSYWNQCG-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cnn(C)c1	2247806544	FWHOAWFAPCCVOH-ZQARSLAVSA-N	237.068	-0.540	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCCO1	2247807740	RURRWCAZGUZYOW-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
COCC[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247847869	CSLURXDZYBPFDW-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc([N+](=O)[O-])c1	2247850630	QRPQMULPPZFVQD-UHFFFAOYSA-N	233.976	-0.451	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)oc1C	2247868048	PQBOPBPZAZKAIU-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
O=C(N1CC[C@@H]2[C@@H](O)C[C@@H]21)C1(B(O)O)CCC1	2247874864	QHBXVHGBZJOSTP-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCCOC2)[C@H]1C[C@@H]1B(O)O	2247887131	KQPVRURCOQVETE-CKEKPRIKSA-N	239.080	-0.465	50	10	BBGE	
N#CCCN(CCC#N)C(=O)[C@H]1C[C@H]1B(O)O	2247895518	AIMWEWGRFSXLIF-DTWKUNHWSA-N	235.052	-0.495	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247897027	NFRJFOBNNXPYDN-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
CC=CC(=O)N1CCc2c(B(O)O)cccc21	2248419783	HPBGGGDXZUWDBS-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2248430283	WVHKNWLGACXVFJ-SECBINFHSA-N	231.060	-0.433	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2248589420	PVKAOUPFISJKPK-XUTVFYLZSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)C1CC(B(O)O)C1	2248594773	YZDCFGVKQDXDKI-KKMMWDRVSA-N	241.052	-0.615	50	10	BBGE	
COCCCCCOc1ccncc1B(O)O	2249963420	SGIHRWUPFKGYQT-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2250008841	QPPCAHRMYAYFSA-BAUKGFNRSA-N	233.076	-0.590	50	10	BBGE	
CN1CCN(C(=O)C(=O)NN)[C@H](C(C)(C)C)C1	2251248306	KZYRZMJLACOYOC-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(F)c(B(O)O)c1	2255497942	KBMAYTNCWAPYDD-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
CC#CCN(C)C(=O)c1c(F)cccc1B(O)O	2255736728	SCAZHXMXXUHSBJ-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2255951741	JZNBWRWOXVVEDT-XVKPBYJWSA-N	249.075	-0.400	50	10	BBGE	
CCC1(NC(=O)c2nccnc2B(O)O)CCC1	2256055718	ITUKJPSMXYUSPN-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
C[C@H]1CCN(C(=O)c2nccnc2B(O)O)[C@H]1C	2256059158	VMUBXBOVAPPTGQ-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2258137798	AZHBMGAGIQMISL-NKIIXMILSA-N	247.059	-0.560	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCn2cncc2C1	2258588126	GLNFOICRPFEUBF-ONGXEEELSA-N	249.318	-0.285	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ncccc1B(O)O	2260235162	ZUVPSGRAARUTKI-SECBINFHSA-N	248.091	-0.297	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298369712	BYYUEDISVXQRSU-CDDJKKQXSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H](C)N1C	2298370028	LZDLHGJKHKFZOV-QEYWKRMJSA-N	240.112	-0.600	50	10	BBGE	
COC[C@]12CCO[C@@H]1CN(CCC(=O)NN)C2	2299788969	AGPVKZUTVLCEGV-MWLCHTKSSA-N	243.307	-0.896	50	10	BBGE	
CN(C[C@@H]1CO[C@]2(C)C[C@H]1C2)C(=O)C(=O)NN	2300461877	QCECASKKOWJRFR-XLDPMVHQSA-N	241.291	-0.750	50	10	BBGE	
CCN(C)C[C@@H](O)CN1CC[C@@](C)(B(O)O)C1	2303097414	OKAKLVREISLMRN-GHMZBOCLSA-N	244.144	-0.762	50	10	BBGE	
O=C(CN1CC[C@H](B(O)O)C1)NC1CCCC1	2303152061	VPQRHWPOKOCVOC-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]3CN[C@@H]2C3)cc1B(O)O	2312612263	LSTPUFZMANXELB-JMJZKYOTSA-N	248.091	-0.801	50	10	BBGE	
NC[C@H]1C[C@@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2312613294	FLUSRDIQBNVSRV-DVVUODLYSA-N	247.107	-0.923	50	10	BBGE	
N#CCCC1CN(C(=O)c2coc(B(O)O)c2)C1	2316039749	ZBNIFBJYVWBSFX-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
CNC[C@@H](C)COc1ccc(B(O)O)cc1C#N	2317212662	XHCWYENJYMFJSW-SECBINFHSA-N	248.091	-0.528	50	10	BBGE	
C=CCNC=C(C#N)C(=O)NCCC(=O)O	2324140773	PZNMSISOZFRTPX-UHFFFAOYSA-N	223.232	-0.240	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1nccs1	70734358	IFHFEMYDJUVYBQ-BYPYZUCNSA-N	214.250	-0.690	50	10	BBGE	
NNC(=O)CCCCO[C@@H]1CCOC1	82465471	VMPMUMNFVHTDFK-MRVPVSSYSA-N	202.254	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(C)(C)O	86275156	CJIIPTMNVNQXHH-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
O=C1C[C@@H]2ON3CCOC[C@H]3[C@H]2C(=O)O1	106575842	VMDSTUDXZZWJIZ-VMHSAVOQSA-N	213.189	-0.909	50	10	BBGE	
COC(=O)c1ccc(C(=O)NN)cc1O	116310445	RISCKZANGCHBSQ-UHFFFAOYSA-N	210.189	-0.218	50	10	BBGE	
OCCN(CCO)C[C@H](O)CBr	156315778	HGZYFEXKFXDUPZ-SSDOTTSWSA-N	242.113	-0.971	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N2CCCCC2)C1	223091185	SXWWWODSKRKDRF-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251436	SZWZZVNPTNHHQB-MXWKQRLJSA-N	242.367	-0.117	50	10	BBGE	
COc1cc2nccnc2cc1B(O)O	238407447	FGUPMFBCNICCSN-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cccn1	238454438	LLMVZJVBAGHMBS-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN2CCC[C@H]2C1	251351140	QPXXGJOCVLUVMX-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CSC[C@@H](C)C(=O)NNC(N)=S	300751703	HEJJITIDEJEHOX-SCSAIBSYSA-N	207.324	-0.150	50	10	BBGE	
CC1(C)CCN(C(=O)NN)CC[S@@]1=O	307636249	WPJMCKJJQBDUQF-AWEZNQCLSA-N	219.310	-0.197	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C(C)(C)COC	309267803	JYGPXBSIXLGFFD-MRVPVSSYSA-N	233.312	-0.652	50	10	BBGE	
Cc1nccn(Cc2ccccc2B(O)O)c1=O	310833380	KQBOAQYKFDFVCX-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)COC	381266435	UHAFDMRQQGPDEP-SFYZADRCSA-N	231.296	-0.443	50	10	BBGE	
COCCOC1(C(=O)NN)CCOCC1	389721436	PLCJPRPQKYCEIM-UHFFFAOYSA-N	218.253	-0.812	50	10	BBGE	
CCC(=O)c1cc(CC(=O)O)ccc1B(O)O	396132875	MSDLNPJRJFAARE-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
CCOC1(C)CN([C@H](C)C(=O)NN)C1	399890574	AVIJRTXDVUGYFX-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2CCOC2)cc(B(O)O)c1	404921126	UYLISUKEXOPCAN-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
C[C@]1(C(=O)Nc2ccnc(B(O)O)c2)C[C@@H]1F	404973722	UQACIMLOCPIFMI-XVKPBYJWSA-N	238.027	-0.552	50	10	BBGE	
O=C1NC(=O)C2(CN(C(=O)CCCl)C2)N1	669382109	GPZPMFVOOALNQB-UHFFFAOYSA-N	231.639	-0.964	50	10	BBGE	
N#CC1(O)CCN(CCN2CCOCC2)CC1	687820241	VUVLRBDKRHDOOG-UHFFFAOYSA-N	239.319	-0.331	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@H]1CO	688665555	JRPLOARNSUUOOY-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
Cc1nc(COc2ccc(B(O)O)cc2)n(C)n1	690906100	UVIANZKUEMCCGD-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CN(C)S(=O)(=O)CCNC(=O)OCCl	692809350	OTXJXAQYJUFMOU-UHFFFAOYSA-N	244.700	-0.200	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@H](C)O2)c(C)c1B(O)O	694268296	HRPBPAFASRGQPZ-OIBJUYFYSA-N	238.096	-0.253	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C[C@H](C)O1	694922334	IFPZFYIHBLCUGL-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N2CCCCC2)C1	697752554	YKRWVAASAUTHMQ-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
CCn1c(=O)ccn(C[C@H](O)CCl)c1=O	697852074	XLFQOMPMINJVCD-SSDOTTSWSA-N	232.667	-0.370	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC1CN(C)C1	709600375	XICCASFHMCSABU-RKDXNWHRSA-N	228.340	-0.506	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259258	KIIPRYBLTSLENK-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
C[S@](=O)NC[C]1SCC=C1B(O)O	725595759	AUJFSYDXHVVTKZ-ZDUSSCGKSA-N	220.104	-0.913	50	10	BBGE	
CC[n+]1cc([S@@+]([O])(=O)N=C=O)[nH]n1	725614946	MGRIYVBODGGICQ-UHFFFAOYSA-O	203.203	-0.828	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)N(C)C)C1	732911708	GJPVQRXAPPLFDZ-ZETCQYMHSA-N	214.269	-0.760	50	10	BBGE	
O=C(NN=C[C@@H]1CCOC1)[C@@H]1COCCO1	745207807	HNLKOEXICISDLN-IUCAKERBSA-N	228.248	-0.460	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	817214099	VSXOLSMPOBLYJH-DTWKUNHWSA-N	241.291	-0.736	50	10	BBGE	
C[C@@H](Cn1cncn1)NS(=O)(=O)CCl	820790635	PWEDDMCRAMRIND-LURJTMIESA-N	238.700	-0.218	50	10	BBGE	
NNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	852773417	YPXCMTZDSSHVEH-PHDIDXHHSA-N	242.197	-0.040	50	10	BBGE	
C/C=C(\C)C(=O)NNC(=O)c1cn(C)nn1	855188361	JQCAJULMJRMBLU-GQCTYLIASA-N	223.236	-0.458	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)CC1	862893666	JPSADYSJTOZSRG-YUMQZZPRSA-N	242.275	-0.120	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@@H](C)CO1	900353077	NZNUOSSQFZGFLV-RITPCOANSA-N	201.226	-0.628	50	10	BBGE	
Cc1cc(C(=O)NNc2nnc(C)n2C)n(C)n1	1118883669	FOXQJWLXVFDTTL-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1ncccn1	1141445073	IFMWLFMMYMVFEM-SECBINFHSA-N	208.221	-0.143	50	10	BBGE	
O[C@H](CBr)CCn1cnnn1	1536047609	OFOUZFYUAQHPDL-YFKPBYRVSA-N	221.058	-0.181	50	10	BBGE	
C#CCC[C@@H](O)CNCc1cccc(B(O)O)c1	1560991093	CBECJQFHVRKWHJ-CYBMUJFWSA-N	247.103	-0.770	50	10	BBGE	
CN(NC(=O)c1cnn(C)c1Cl)C(N)=O	1566497252	OGSOXPSLKGDEKZ-UHFFFAOYSA-N	231.643	-0.271	50	10	BBGE	
CC(=O)NNC(=O)c1cccnc1OCCO	1628978529	JCFYFZVOPAXKRQ-UHFFFAOYSA-N	239.231	-0.766	50	10	BBGE	
O=Cc1c(F)ccc(B(O)O)c1Cl	1881848046	WHPRUDNZCDXELH-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CONCCNC(=O)C=CC(=O)Cl	1883626388	FZZMXMIHCLFOSF-UHFFFAOYSA-N	206.629	-0.425	50	10	BBGE	
CSSCCNCC(CO)(CO)CO	1885378692	QTKVSTNFHVJLRR-UHFFFAOYSA-N	241.378	-0.450	50	10	BBGE	
CNS(=O)(=O)C1CN(C(=O)[C@@H](C)Cl)C1	1887064160	FZTCSRGYTNFNFP-RXMQYKEDSA-N	240.712	-0.626	50	10	BBGE	
CCS(=O)(=O)N[C@@H]1CCC=C1B(O)O	1892923295	DWJJAZXVJBWQKT-SSDOTTSWSA-N	219.071	-0.974	50	10	BBGE	
CC1(C)[C@H](O)CCCN1CC(=O)NN	1893144672	SYJKQSJKAUIAQB-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1893460647	HUSRJKUPUJOUAY-SRQIZXRXSA-N	221.640	-0.736	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1C[C@H](O)CCN1	1893983965	BBCASPLEWMUVBD-GEPGNKONSA-N	232.711	-0.015	50	10	BBGE	
CC(C)C(C)(C)Oc1ncncc1B(O)O	1900577527	LCMCNDZJAAOLCB-UHFFFAOYSA-N	224.069	-0.030	50	10	BBGE	
CC(C)=C(CN1CC(C[S@@](C)=O)C1)B(O)O	1901706553	ABRLULBWGVLRMV-MRXNPFEDSA-N	245.153	-0.355	50	10	BBGE	
CCCNC(=O)CCN1CC[C@H](B(O)O)C1	1902505749	LMYFYEVGSUTDNH-VIFPVBQESA-N	228.101	-0.549	50	10	BBGE	
CC1(Nc2cc(B(O)O)c(F)cn2)COC1	1903009289	DYDJFABWTYZDJH-UHFFFAOYSA-N	226.016	-0.899	50	10	BBGE	
C[C@H](CC(=O)NN)n1ncc(N(C)C)cc1=O	1905534863	KPHDBGPSBGWQIS-SSDOTTSWSA-N	239.279	-0.750	50	10	BBGE	
COC[C@H]1CCCN([C@@H](C)CC(=O)NN)C1=O	1905574128	VYPKDBCTRGDQBO-DTWKUNHWSA-N	243.307	-0.360	50	10	BBGE	
C[C@@H](C#N)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927917573	XIFXLRNNSDQBPW-XHNCKOQMSA-N	210.281	-0.296	50	10	BBGE	
Cc1scnc1C(=O)NNC(N)=O	1928978638	MLHWJQFTZXPXEH-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)[C@H](C)CCO1	1929661062	IQONECWIAQASKF-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCCNC(=O)CSC[C@@H]1C[C@@H]1C(=O)NN	1936093549	FPSJIKJSOPOUAY-YUMQZZPRSA-N	245.348	-0.128	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@H]1CO	1936095137	UHJPTUKOWGFZGQ-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
CCN1CCN(CCC(=O)NN)CC1(C)C	1936625049	DBLUSIRBEQDAHQ-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@@H](N(C)CCOCC(=O)NN)C(F)(F)F	1938537555	PYEPGANNQXLGBS-ZCFIWIBFSA-N	243.229	-0.125	50	10	BBGE	
NNC(=O)CCN1[C@H]2CCC[C@@H](O)[C@H]1CC2	1939158774	WMVUCMXZFPTVHF-IVZWLZJFSA-N	227.308	-0.256	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)CC(C)C	1939259380	LGTKXVCRUPMIRE-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1[C@H](C)CCC(=O)NN	1939637938	KREZTTOJRISUAH-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCC(=O)N2)CC1	1941671092	IVTDBHLKSUYABO-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
NNC(=O)COCCN1CC[C@]2(CCOC2)C1	1941772693	MVHMTCFBCPTOAG-NSHDSACASA-N	243.307	-0.895	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C[C@H]1C	1944574541	WNTXFKMMFQUETH-JLIMGVALSA-N	245.323	-0.918	50	10	BBGE	
CCN1CC(CN(C)CC2(C(=O)NN)CC2)C1	1945891064	CZRXHKMWSVUCBN-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
CCN(CCCCO)C[C@H](C)C(=O)NN	1958353467	ZSDFPVDSMHTLEP-VIFPVBQESA-N	217.313	-0.293	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC[C@@](O)(C(N)=O)C1	1958797544	JDCKINBPTURFAA-MUWHJKNJSA-N	234.683	-0.548	50	10	BBGE	
NC(=S)NNC(=O)c1cnn2c1CCC2	1960697461	WTCJOFWKBOXIMD-UHFFFAOYSA-N	225.277	-0.693	50	10	BBGE	
CC(C)(C)COc1ncc(B(O)O)cn1	1961687277	KNIJVUGZLHYJIT-UHFFFAOYSA-N	210.042	-0.419	50	10	BBGE	
OB(O)c1ccc(N2CCCCO2)nc1	1961691650	PQGGYTSFGGAOIM-UHFFFAOYSA-N	208.026	-0.707	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2C)c1B(O)O	1961705702	HBWQABRMNOGBLL-ZCFIWIBFSA-N	207.042	-0.937	50	10	BBGE	
CC(C)(F)Cn1cc(B(O)O)ccc1=O	1975101093	NBOUAPIGFHXEFG-UHFFFAOYSA-N	213.017	-0.724	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@](F)(CO)C1	1975527674	SRJZPLOYUUSJMH-WPRPVWTQSA-N	233.287	-0.449	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC(N(C)C)C2)C1	1978612277	BCNOJZIBJPWZAP-QMMMGPOBSA-N	226.324	-0.609	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[S@]1=O	1981192289	QHPJNNKDHNNMPJ-ZKANADHPSA-N	245.348	-0.791	50	10	BBGE	
C[C@@H]1CSCCN1c1ccc(B(O)O)cn1	1981413538	HYVOEOGCDKSJDK-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
Cc1nc(N2CCSCC2)ncc1B(O)O	1981448049	WXINNEOZACVGTO-UHFFFAOYSA-N	239.109	-0.982	50	10	BBGE	
OB(O)c1ccc(Sc2ncccn2)nc1	1981466377	XDZRNMBQQPIFCU-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1[C@H]2OCC[C@H]12	1983237468	ADXYGWYTHAMAGZ-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](C)C(C)(F)F	1984261706	KXFNZBRNIJPNLY-RQJHMYQMSA-N	239.266	-0.033	50	10	BBGE	
C[C@H](O)CN(C)C[C@H]1CC[C@H](C(=O)NN)C1	1985356416	DYYWNHHZAPSBDL-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CC(OCC(N)=O)C1	1985798022	BKCDHVFOPBTOGI-ZETCQYMHSA-N	248.710	-0.036	50	10	BBGE	
CO[C@@H](C)COc1ncc(F)cc1B(O)O	1988005651	OUDOTQLRRGBERZ-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
CC(=O)NNS(=O)(=O)Cc1ccccc1N	1989371608	VPCZUGWYYQZQLF-UHFFFAOYSA-N	243.288	-0.261	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@@H]1[C@H](O)CO	1991684545	DYRKRCYKDWFDTB-BZNPZCIMSA-N	249.694	-0.806	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993219966	YVRNUJZTSOEBLV-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
CCN(C[C@]12C[C@](C(=O)NN)(CO1)C2)OC	1993889885	BPUJSPWPDNEQDD-MGCOHNPYSA-N	229.280	-0.591	50	10	BBGE	
CO[C@@]1(CN2CC(=O)OC(=O)C2)CCCOC1	2001498925	OKNNTYDBEJILOF-LLVKDONJSA-N	243.259	-0.433	50	10	BBGE	
Cc1ccnc(N2CCO[C@H]3C[C@@H]32)c1B(O)O	2004916301	KEPFCLLPHLTSQJ-IUCAKERBSA-N	234.064	-0.953	50	10	BBGE	
CC[C@](C)(COc1ncncc1B(O)O)OC	2004934835	IVSWNQMSQYUCGY-SNVBAGLBSA-N	240.068	-0.650	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)CC(F)(F)C(=O)NN	2007573943	NXVWHKIDGFNFPF-BWZBUEFSSA-N	249.261	-0.422	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC(CO)C2)C1	2013608204	IKPSGYKYPKSJAV-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
O=C(NCB(O)O)c1ccccc1OCCF	2015497143	AZINVUTWMCCSNL-UHFFFAOYSA-N	241.027	-0.223	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@@H](COC)C(=O)NN)C1	2018856156	ODZKDEMWAROYHR-GXSJLCMTSA-N	243.307	-0.996	50	10	BBGE	
CCc1nn(C)cc1C(=O)NCC=CB(O)O	2020057970	DYLLRTLIJOZQHS-UHFFFAOYSA-N	237.068	-0.720	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)[C@H]1CCCCO1	2020063119	VZXCTZIVCAYFPB-VHSXEESVSA-N	241.096	-0.124	50	10	BBGE	
C=C(CN1CCC[C@H]2CN(C)CC[C@@H]21)B(O)O	2021157748	QFSNUYYWEMNUHH-RYUDHWBXSA-N	238.140	-0.029	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccccc1B(O)O	2022196446	MPXPZRKADHVZLB-SECBINFHSA-N	231.060	-0.635	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1Cc2cccc(B(O)O)c2C1	2055630781	IZEBRAIRUIUNIB-KWQFWETISA-N	249.050	-0.433	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccccc2=O)cn1	2056635579	GRXYQXRPFPZCGW-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]2CC[C@H]1O2	2058161076	QPBWZZKONZEFNG-IQJOONFLSA-N	249.075	-0.904	50	10	BBGE	
C=CCCCCn1cnc2c(B(O)O)ncnc21	2059121886	ZVYNUKMGNUFWNC-UHFFFAOYSA-N	246.079	-0.138	50	10	BBGE	
CCOc1c(B(O)O)ccc(C)c1[N+](=O)[O-]	2060033583	RUZOJZABKXSLPG-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
COc1cc(C#N)c(B(O)O)cc1C=O	2060188172	CLIFJNVBVGJZNJ-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@]2(C)C[C@@H]12	2065691151	DKDKRTJSKAKMCN-UMNHJUIQSA-N	247.107	-0.219	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2CCC=C2B(O)O)nn1	2076081281	HJNCJFBQHJTWEO-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
O=C(CS)N[C@H]1CS(=O)(=O)C[C@H]1Cl	2209300918	QYXWZQACWONMNK-UHNVWZDZSA-N	243.737	-0.563	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NCB(O)O)O1	2209647279	LXGCQHJKMZCCGD-NKWVEPMBSA-N	201.031	-0.928	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CCC12CC2	2211247666	YZMXGJYCVMMDSV-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CC(C)[C@H](N)CNc1cc(B(O)O)ccn1	2212610670	MTPSYIYVQHYKIF-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
C[C@H](CN1C[C@H]2CCO[C@@]2(C#N)C1)C(=O)NN	2216067641	GRNGAJMJUJSEKG-KKZNHRDASA-N	238.291	-0.773	50	10	BBGE	
CC[C@H](COC)Oc1cnc(C)c(B(O)O)c1	2217101412	JCVQTECPWYWAQB-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CCOC(=O)[C@@H](C)Nc1ccc(B(O)O)cn1	2217172006	GMZRQABQABNDSC-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1Oc1ccc(B(O)O)cn1	2217172668	LPAFOEXVWXTSEH-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1nc[nH]n1	2217178098	RKPHEMYGRWEYSB-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
NCC[C@@H](Oc1cc(B(O)O)ccn1)C(F)F	2217186876	PZMPPZCRWAZVFZ-SSDOTTSWSA-N	246.022	-0.877	50	10	BBGE	
CC(C)[C@@H](Oc1cc(B(O)O)ccn1)[C@H](C)N	2217191181	RHEHJKQFDFEPQI-GZMMTYOYSA-N	238.096	-0.488	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)CC1	2217193377	MJQAYJXVFVRPTM-AOOOYVTPSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2ccc(B(O)O)cn2)[C@H]1C	2217202516	KKVBLFOEYIWUFF-NRPADANISA-N	236.080	-0.403	50	10	BBGE	
C[C@H]1NCCN(Cc2cccc(B(O)O)c2)[C@@H]1C	2220065438	ZLZSMXYYUVXKAL-GHMZBOCLSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2223627674	MVLSOZQYPRQYBE-OFPNECHXSA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CC=CC[C@H]3C2)nc1	2223631833	BGENVKZWRNEVOX-UWVGGRQHSA-N	245.091	-0.441	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3C[C@H]2C[C@H]3O)nc1	2223632110	FWMLXCBEOWXURX-GISOBZBCSA-N	248.091	-0.667	50	10	BBGE	
C[C@@H]1CNC[C@@H](CNc2ncccc2B(O)O)C1	2223633063	RJGFBNYFLMUQIQ-UWVGGRQHSA-N	249.123	-0.581	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2CCCNC2)cc1B(O)O	2223648231	IVUNGGCUNLQTTF-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1Nc1ccc(B(O)O)cn1	2223649702	BYHLZCPRRMLAKN-ONGXEEELSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@]1(C)CN	2223679855	VMKNKVCXGDGCOZ-JOYOIKCWSA-N	249.123	-0.818	50	10	BBGE	
CC(C)(F)CCNC(=O)C#CB(O)O	2241468663	RVUQZYZJGPSEBJ-UHFFFAOYSA-N	201.006	-0.744	50	10	BBGE	
Cn1c(=O)cc(O)n(CCOCCCl)c1=O	2243059795	UEOWMMQZTIMUEB-UHFFFAOYSA-N	248.666	-0.492	50	10	BBGE	
CN(CC1[C@H]2CCC[C@H]12)C(=O)C#CB(O)O	2243356677	LLLFVQGCKZLLFU-IUCAKERBSA-N	221.065	-0.494	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1CCC1(C)C	2243401422	QWSJVBOJZSCROJ-IUCAKERBSA-N	223.081	-0.057	50	10	BBGE	
COCC[S@@](C)(=O)=NC(=O)C1(B(O)O)CC1	2243411004	MANVHGSNOJMKQM-MRXNPFEDSA-N	249.097	-0.736	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1occc1B(O)O	2243411008	MAPYXAYQAJWSIG-SVRRBLITSA-N	223.037	-0.560	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NCC(F)F)s1	2243413293	CWVQWCQXNXYJTB-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243426329	GTBHQBADOODSAE-CNUIFLNQSA-N	227.069	-0.779	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243752816	NJTVVQQDCFSGAT-DSYKOEDSSA-N	229.041	-0.924	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)C(=O)N1CCNCC1	2244016334	XJOWVUSNVISZFS-ZKCHVHJHSA-N	245.710	-0.696	50	10	BBGE	
CP(C)(=O)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2244278930	PMYWOXLVGGCJLM-JGVFFNPUSA-N	245.024	-0.317	50	10	BBGE	
Cn1cc([C@](C)(N)B(O)O)c(C(F)(F)F)n1	2244396127	FKMDQJSSUYUOGE-LURJTMIESA-N	236.990	-0.375	50	10	BBGE	
COC[C@H](SC[C@H]1NCC[C@@H]1C)C(=O)NN	2245080456	DHKJJULRNUKINR-YIZRAAEISA-N	247.364	-0.278	50	10	BBGE	
CC[C@H]1COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247732889	KJZWVTMFWLGQRL-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C#CCN(CC=C)C(=O)c1csc(B(O)O)c1	2247737786	JWSLTLUQQQDLMS-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1CO	2247754640	GYRVVCVGTHILON-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(F)cc1B(O)O	2247754645	AAZAITWAKABZMD-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
O=C(N1CCN(C2CC2)CC1)C1(B(O)O)CC1	2247757942	SUOJYYLOSZADDB-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786618	DEEZJBPDIMJGDX-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H](C)CN1	2247792486	SUKGTXFQRJDZKR-QCLAVDOMSA-N	240.112	-0.552	50	10	BBGE	
CO[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796659	BSZKZKUEKMFCMZ-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247798533	VETFSRHVIGHYGG-JBDRJPRFSA-N	241.096	-0.485	50	10	BBGE	
CNC[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247800115	LIZKJVOLIFVHTO-IDKOKCKLSA-N	240.112	-0.693	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1C[C@H]2CC[C@H]1O2	2247847796	BROBNYMXVCZPOV-SGIHWFKDSA-N	237.064	-0.926	50	10	BBGE	
CC1(C)CN(C(=O)C#CB(O)O)CC(C)(C)O1	2247849570	BKKGMBMNVNIVFZ-UHFFFAOYSA-N	239.080	-0.582	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2247855365	RGFNPQDTCSJQCQ-CIQUZCHMSA-N	239.080	-0.779	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2247867800	MUWHOSNEDKXNPD-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCC[C@H]21	2247870296	HQTMOZBRIBWWPI-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1coc(B(O)O)c1	2247871759	HICJPAWVDLBJRB-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
CC/C=C\CNC(=O)c1cncc(B(O)O)c1	2247874753	TUYUQQAWPRGZAV-ARJAWSKDSA-N	234.064	-0.543	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCC1CC1	2247875152	TYZUOPKUFDPYMB-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]1CO	2247893332	QBUCCNOHMVFMFR-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
O=C(C(F)F)N1Cc2cccc(B(O)O)c2C1	2248415120	VISGSBKZPMHTJS-UHFFFAOYSA-N	241.002	-0.526	50	10	BBGE	
C[C@@H](CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248578691	UTSZILHWAULOMK-BIIVOSGPSA-N	243.068	-0.582	50	10	BBGE	
O=C(NCc1ccoc1)c1cocc1B(O)O	2249411583	SGKKJPIBNXTQFI-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CC(C)C1(NC(=O)c2cc(B(O)O)co2)CC1	2249430254	ZTMZCAOYKDALEV-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249578925	XEAZXBAVXUNRBY-OFKSJOQMSA-N	241.335	-0.296	50	10	BBGE	
Cc1nnccc1CN(C)C[C@H](C)C(=O)NN	2251595534	CHEPOWVCNPHTDT-QMMMGPOBSA-N	237.307	-0.157	50	10	BBGE	
CN(Cc1cnccn1)C(=O)C1(B(O)O)CCC1	2255452856	BRBNGOWDCGJLOK-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
C#CC1(NC(=O)c2cccc(B(O)O)c2F)CC1	2258947744	MEDQHJJTLRIFJH-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
C[C@@]1(CO)C=CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165245	MKKSUBUVMBIRLJ-NHCYSSNCSA-N	239.319	-0.375	50	10	BBGE	
CC(C)[C@H]1COCCN1C[C@@H]1C[C@H]1C(=O)NN	2298224610	SDSJGRCWVNHSQQ-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
C[C@]1(C(=O)O)C[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303112052	PAFNSZBQKJLZGC-FWWHASMVSA-N	241.052	-0.828	50	10	BBGE	
CCNC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303854582	DTOFNSLXIJVHDB-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@@H](N)C1	2317160124	AEZBAPPJDBCLEC-DKTWLAJQSA-N	245.091	-0.613	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@@H]2COC[C@H]21	2317161168	BLOHRIBGIPNVCJ-BXKDBHETSA-N	244.059	-0.927	50	10	BBGE	
NCC1(Nc2ccc(C=O)c(B(O)O)c2)CCC1	2317350246	PHTITJWKXRSKQC-UHFFFAOYSA-N	248.091	-0.528	50	10	BBGE	
C=C1C[C@H]1C(=O)N1CCc2c(B(O)O)cccc21	2319324772	ZOKHKAMAYHKESH-SNVBAGLBSA-N	243.071	-0.168	50	10	BBGE	
CN1C(=O)C(=O)N(CCBr)C1=O	20295895	SSUXXFMZDDRKDZ-UHFFFAOYSA-N	235.037	-0.198	50	10	BBGE	
N#Cc1cc(-c2ccccn2)n(CC(=O)NN)n1	76847636	NFUAUCRORANSGF-UHFFFAOYSA-N	242.242	-0.193	50	10	BBGE	
CC(C)[C@@H](O[C@@H]1CCOC1)C(=O)NN	82465452	AQPZSANXAMUULM-HTQZYQBOSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CO[C@@H]2CCOC2)O1	82465486	WZVWHQAGOGFEOM-HRDYMLBCSA-N	230.264	-0.671	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)CCN1C	82485337	NWNABXQZRHITNF-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
NNC(=O)c1ccoc1CN1C(=O)[C@H]2C[C@@H]2C1=O	113667850	KJFLIKRUHGBLQE-BQBZGAKWSA-N	249.226	-0.612	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCO1	199005007	JOIBAJOHJBPSIG-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
NNC(=O)COCC(F)(F)C(F)F	203240072	QFDBDEMIHYRABB-UHFFFAOYSA-N	204.123	-0.107	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C(C)=O)c1	206079647	VOHVGUQAWHQLTC-UHFFFAOYSA-N	222.005	-0.644	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](O)COC	211859297	NIGXFXKNOWICCG-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
CO[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1	230357470	GYLMQRDRHBNCKN-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)[C@@H](Br)CNC[C@H](C)O	234577963	WRFFCZQZNRQEGS-WDSKDSINSA-N	240.097	-0.107	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@](C)(O)C1	235318465	QRFMOBHZXMFTAI-OYNCUSHFSA-N	215.297	-0.542	50	10	BBGE	
NC(=O)[C@@H](Cl)CC[C@H](Cl)C(N)=O	238613188	CVILAQBVUOASEM-IMJSIDKUSA-N	213.064	-0.048	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H](C)O1	251708762	OTKFOSVHNAHDRJ-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	252605426	PPOMEDNGUNVUMP-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
C[C@@H](NC(N)=O)C(=O)NCC(Cl)Cl	288101822	AVBODIHXQDUHAY-GSVOUGTGSA-N	228.079	-0.037	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC2)nc1	308829170	SZCNWFYYOQBHLM-UHFFFAOYSA-N	206.249	-0.109	50	10	BBGE	
OB(O)c1ccccc1OCCn1cncn1	310286850	MMIPNEHAAGTELK-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	310553312	XFLPRNBSPATARY-CMPLNLGQSA-N	240.351	-0.218	50	10	BBGE	
O=C(CCCl)N1CC[C@@](O)(CO)C1	313656641	QERGQTWAXNHMIN-QMMMGPOBSA-N	207.657	-0.429	50	10	BBGE	
ClCc1nncn1CCn1ncnn1	379429622	FYLPGPAXGGCFFI-UHFFFAOYSA-N	213.632	-0.296	50	10	BBGE	
NC(=O)N/N=C/CC1CC(=O)NC(=O)C1	379701015	LFJHBUFGAFVLPD-WTDSWWLTSA-N	212.209	-0.917	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@@H]3C[C@H]3C2)on1	380334503	DXNHWIQNHDBQME-BQBZGAKWSA-N	222.248	-0.270	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@](C)(CN)C1	380791575	FGJQBFFGPSUFQM-IQJOONFLSA-N	228.340	-0.328	50	10	BBGE	
O=C1CCCCN1c1cccc(B(O)O)c1	390098461	NWJDGUDERNQEEA-UHFFFAOYSA-N	219.049	-0.117	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)[C@@H]1CCOC1	390512690	CAUYGFHSEBCCRC-IONNQARKSA-N	229.280	-0.832	50	10	BBGE	
CC(=O)NNC(=O)CSC1=NC[C@H](C)N1	395814222	ZSSOPOBURLXIDE-YFKPBYRVSA-N	230.293	-0.765	50	10	BBGE	
COCCOC(=O)Nc1ccc(B(O)O)cc1	404973377	TZNZXBYIYWBDKP-UHFFFAOYSA-N	239.036	-0.439	50	10	BBGE	
CO[C@H](C)C(=O)NCc1ccccc1B(O)O	404978541	FTEWRXPCCVKOHZ-MRVPVSSYSA-N	237.064	-0.983	50	10	BBGE	
C/C=C/C=C\C(=O)NNC(=O)c1cnn[nH]1	491520528	NOHWXDJDHTVSDG-IAROGAJJSA-N	221.220	-0.302	50	10	BBGE	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)NN	692991908	WOROSZRTRMFKOR-IEESLHIDSA-N	211.265	-0.234	50	10	BBGE	
OB(O)c1ccn(CC(F)(F)C(F)F)n1	694266737	AJJAQRQARJFTQS-UHFFFAOYSA-N	225.938	-0.537	50	10	BBGE	
CC(C)C[C@@H](Sc1nc(N)n[nH]1)C(=O)NN	695124460	KGKIYYWIRWYPHY-RXMQYKEDSA-N	244.324	-0.116	50	10	BBGE	
O=C(CBr)N1C[C@H](O)C[C@@H]1CO	698215176	OPVDAZMFORZLJJ-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
C[S@@](=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703436394	PGJWXEVGOCHUKB-IMTVCQGZSA-N	231.273	-0.719	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	706184064	UMGQFWOVUDVBKD-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CN(C(=O)CN1CCC(O)(C#N)CC1)C1CC1	709372848	DPQPBSUBYWXTLJ-UHFFFAOYSA-N	237.303	-0.042	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnn2)cc1	710720223	NIXXVYJKMFZYRZ-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H](F)[C@@H](F)C2)cc1	714518226	LTEMCALIDIMJNS-QWRGUYRKSA-N	241.046	-0.142	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@H]3C[C@H]3C2=O)n1	715553589	YCHZHICUXFXXJY-VXNVDRBHSA-N	246.270	-0.337	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]2C1=O)C(=O)NN	715705873	YEOSLEVHBLSCDQ-RNFRBKRXSA-N	211.265	-0.519	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CSCN1C(C)=O	726799192	KAPWTIQBPNUTJY-ZETCQYMHSA-N	231.277	-0.925	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)[C@H]1COCCO1	829394057	MPIJWEOUIWUQSE-SECBINFHSA-N	240.259	-0.791	50	10	BBGE	
CC#CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846381792	CFQJMKHODQESDF-IWSPIJDZSA-N	222.244	-0.275	50	10	BBGE	
Cc1cccnc1NNC(=O)N[C@H]1CCNC1=O	852409458	QMRKUPMNYDFYCJ-QMMMGPOBSA-N	249.274	-0.095	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1	907628045	VAQJXPQMPSJELY-NKWVEPMBSA-N	230.264	-0.670	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCNC(N)=O	1299984507	IEOVZHGTUPCFDH-VOTSOKGWSA-N	226.236	-0.785	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@@H](F)C1	1325911093	XSDQGJJYHFPVEO-RNFRBKRXSA-N	218.228	-0.346	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNc1cnnn1C	1351215566	JIOXJRFYDFUTII-YUMQZZPRSA-N	239.279	-0.069	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)C[C@H](C)O	1556926225	KSIJRSABQYSKMJ-IUCAKERBSA-N	215.297	-0.576	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccc2ncnn12	1583707501	AUKDMNUXYOKOCS-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
N#Cc1cccc(-c2ncc(B(O)O)cn2)c1	1616187040	UXEVXLOSJXMDAU-UHFFFAOYSA-N	225.016	-0.305	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cc(=O)cc[nH]1	1637380185	QPLIWSFVIAGJCX-UHFFFAOYSA-N	240.288	-0.544	50	10	BBGE	
O=C(NCCCl)c1cnc2nc[nH]n2c1=O	1866070246	SYQGAMOPAYCQLR-UHFFFAOYSA-N	241.638	-0.614	50	10	BBGE	
O[C@H]1C[C@H](O)CN(CCBr)C1	1880295218	DLYLTRAIQWRLHX-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
CS(=O)(=O)CNC(=O)OCCCl	1881555326	CSGNFPHMBLHMSD-UHFFFAOYSA-N	215.658	-0.047	50	10	BBGE	
C[C@H](O)[C@H]1CCN1[C@H](C)CC(=O)NN	1885790865	OYIFHLPRMMEKBT-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](NC(=O)F)C(=O)N1CCOCC1	1887187156	XVVGHTXLNXKTBG-ZCFIWIBFSA-N	204.201	-0.087	50	10	BBGE	
O=C1NC2(CO1)CN(C(=O)CCCl)C2	1893451632	SSGBKNQUUUMZOM-UHFFFAOYSA-N	218.640	-0.064	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)/C=C/C(=O)Cl	1893505578	XGBAAXVRIUWFIF-KFBNRENSSA-N	221.640	-0.834	50	10	BBGE	
C[C@H]1CCCN([C@H](C)CC(=O)NN)S1(=O)=O	1894146116	SNAJXZUYZDZQMJ-SFYZADRCSA-N	249.336	-0.431	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@H]1C[C@@H]2O	1900377973	CRQIMUPACQRYSQ-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@H]2F)cc1B(O)O	1901237079	DYZZLYDQMKYSAF-ZJUUUORDSA-N	223.012	-0.299	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C=CCN1	1901344502	RFGFYCASGWEODJ-MRVPVSSYSA-N	247.320	-0.783	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCC[C@@H]1N)S(C)(=O)=O	1901377381	NNLGGOBDPPPEEL-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
Nc1cnn(C2CN(C(=O)[C@@H]3C[C@@H]3Cl)C2)n1	1902153468	DWQWHNCWEBKARR-RQJHMYQMSA-N	241.682	-0.129	50	10	BBGE	
CO[C@H](CN1CC[C@H](B(O)O)C1)[C@H]1CCOC1	1905582454	AGHVUEWNDPSKJC-GARJFASQSA-N	243.112	-0.413	50	10	BBGE	
CCCCC(=O)Nc1ncccc1B(O)O	1913621419	STWGQMZJYKFFDM-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
CCN(CC(C)(C)C(=O)NN)S(C)(=O)=O	1913819790	RZGCGTGOXFGFNR-UHFFFAOYSA-N	237.325	-0.716	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CC1(O)CCC1	1914571956	QFEMHHAUJRJYPM-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@]12CCOC2	1915570774	FYINSHFJNUSCIT-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
CO[C@H](C)[C@@H](O)C(=O)NNC(=O)C(F)(F)F	1923413717	AZKXIJXVHCSVHB-QWWZWVQMSA-N	244.169	-0.908	50	10	BBGE	
C[C@@](O)(CN)CN1CCC(O)(C#N)CC1	1928976558	NINJVOKJVSCKNG-SECBINFHSA-N	213.281	-0.953	50	10	BBGE	
NNC(=O)C1(Cn2cccnc2=O)CC1	1931267595	WPGBLYNVQVEWBX-UHFFFAOYSA-N	208.221	-0.987	50	10	BBGE	
COCCC1CN([C@H](C)CC(=O)NN)C1	1932057481	KYOVOEWCIQEKNR-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C[C@H]1CCCS1(=O)=O)NC(=O)NN	1935061756	QKEUVXHFUDUTBV-NKWVEPMBSA-N	235.309	-0.485	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@H]1C[C@@H]1C(=O)NN	1936084396	MYDZRFOLXNIFEL-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
O=C(CCn1ccnn1)N[C@H]1COC[C@@H]1Cl	1937144212	CKQNMOGVOKHQRB-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CN1C[C@H](NC(=O)c2cnn(C)n2)[C@H](Cl)C1	1937191365	SYPWYTZCZGRQLP-SVRRBLITSA-N	243.698	-0.534	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1C[C@@H]2COC[C@@H]2C1	1939479252	WSIGVEIQOCNNIR-MYJAWHEDSA-N	227.308	-0.277	50	10	BBGE	
CN(Cc1cccnn1)C[C@H]1C[C@@H]1C(=O)NN	1941083560	AIWLNAZUKMLZBS-SCZZXKLOSA-N	235.291	-0.466	50	10	BBGE	
C#C[C@@H]1CCCCN(CC(=O)NNC(C)=O)C1	1941730211	PDVVJUJNAMLVKG-LLVKDONJSA-N	237.303	-0.111	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCCCO2)O1	1942617753	CERUNANPBUJCPA-NXEZZACHSA-N	243.307	-0.059	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(O)CCCNC2)CC1	1942973704	HSNSGQNPDPMMGL-LBPRGKRZSA-N	239.319	-0.549	50	10	BBGE	
CN(CCC(=O)NN)Cc1nnc2n1CCC2	1943113255	LQLABXIGAPONES-UHFFFAOYSA-N	238.295	-0.964	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H]2CCO)CC1	1945882646	LAWWHYUAACXSMG-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1C[C@@]1(CN)C(=O)N1CCC(O)(C#N)CC1	1951149859	UDAXQIKMBLMNOD-SKDRFNHKSA-N	237.303	-0.152	50	10	BBGE	
O=C(C1CCOCC1)N1CC[C@H](B(O)O)C1	1951320571	MSCLSJBKBDQIDN-VIFPVBQESA-N	227.069	-0.512	50	10	BBGE	
O=C(CCl)N[C@H]1CCN(C2COC2)C1	1956735242	IEQKVFXTVZHQTN-ZETCQYMHSA-N	218.684	-0.186	50	10	BBGE	
COC[C@@H](NC(=O)C[C@H](C)Cl)C(N)=O	1957319048	RQPLXYYQFYSLAE-NTSWFWBYSA-N	222.672	-0.380	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](C2CC2)C1	1961489277	MIBOVTZBVZQOQE-QMMMGPOBSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@@H]2C[C@@H]21	1961509020	OFLZPTUZKAPDFM-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)C2CC(Cl)C2)C1	1965303664	YIHDBFDOMGMNSK-UHFFFAOYSA-N	247.678	-0.250	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCOC1=O	1975103400	IQAFKQJDIKUVBD-UHFFFAOYSA-N	223.179	-0.546	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@H]1CC[C@H](C(=O)NN)O1	1975983903	YWJLBPIYIVCCCN-BWZBUEFSSA-N	227.264	-0.855	50	10	BBGE	
CCn1ncnc1CN(C)CCC(=O)NN	1980039432	CDTFGKSWHTXABZ-UHFFFAOYSA-N	226.284	-0.890	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C)C2)n1	1981469382	RMKXVXZCTVUXHA-ZETCQYMHSA-N	221.069	-0.689	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=CC[C@H]1CO	1983179395	NZENNHAPFGUKKD-VHSXEESVSA-N	227.308	-0.376	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1984192953	JRGNJFZJXGIGOK-AATLWQCWSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](CN(C)C1CC2(COC2)C1)C(=O)NN	1985555980	IWGGKDUMMRRFHJ-QMMMGPOBSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCF)Cc1nsc(C(=O)NN)n1	1986597399	JTYGIJRXJSHIIZ-UHFFFAOYSA-N	247.299	-0.067	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](C)[C@H]1C	1990774801	NKISYAZLQJJXAR-SFYZADRCSA-N	229.280	-0.737	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2C[C@H]1CO2	1990775696	ZEVSQUDMVLWLGD-IUCAKERBSA-N	227.264	-0.983	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NCC=CB(O)O)CO1	1991332333	AOMTUFMJJSVKDZ-RKDXNWHRSA-N	227.069	-0.514	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C(F)F	1994687986	MICQCYJQNMWVTD-UHFFFAOYSA-N	228.991	-0.752	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12	1995617171	AHXSHKYCANVNHZ-CDDJKKQXSA-N	226.276	-0.336	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1C=CCCC1	1998136903	FYZCWQJVZKFWJV-JGVFFNPUSA-N	241.052	-0.615	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000814837	PMZYRBBXWAJWKN-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2CCC[C@H]21	2002179027	UFMUDTHONYIWAQ-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CCC[C@@H]2C1=O	2004108586	FJDZYQBDHGBLLB-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1[C@@H]2[C@@H]1CCCC2(F)F	2004131220	AEORQVJRAAXTBS-QYNIQEEDSA-N	247.245	-0.226	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ncc(B(O)O)cn1)C2	2004916330	KLDJGAIDIDZOTF-LDYMZIIASA-N	233.080	-0.607	50	10	BBGE	
CO[C@@H](C)CN(C)c1nccc(C)c1B(O)O	2004918172	IHOPYQVNXJSGOE-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
C[C@@H](COc1ncc(B(O)O)cn1)C1CCC1	2004924375	AUHSHSDJYDSMLC-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
Cc1nc(O[C@H]2CCCOC2)ccc1B(O)O	2004928199	BNLNMFXXNARZQR-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CO[C@@H](C)C2)n1	2004928721	FTASWNSMXXYPAQ-IUCAKERBSA-N	237.064	-0.374	50	10	BBGE	
Cc1ncnc(N(C)[C@H](C)C2CC2)c1B(O)O	2004973562	WZJBUSCKCFGGGB-MRVPVSSYSA-N	235.096	-0.300	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@H]1C[C@@H]1F	2006989657	VENFKVUGRPMQSA-IUCAKERBSA-N	237.039	-0.029	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=C(CO)CC1	2008871689	WRADTSGPZINMEV-UHFFFAOYSA-N	249.261	-0.374	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	2011676425	KQWNQPVDFQKCTO-IUCAKERBSA-N	243.307	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]1CNC(=O)OC	2014046451	UQVURJXNNAALEW-YUMQZZPRSA-N	244.295	-0.815	50	10	BBGE	
O=C(COC1CCCCC1)NCC#CB(O)O	2021157415	LVHNADWMVFTPOD-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
C[C@@]12CC[C@@](CO)(C1)N(CCCC(=O)NN)C2	2022067582	CMFGVRJANRUSKO-NEPJUHHUSA-N	241.335	-0.007	50	10	BBGE	
Cc1nc(N2C[C@H]3COC[C@@H]3C2)ccc1B(O)O	2052625534	MIRHSCMJZQCVPW-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
CCOc1c(B(O)O)ccc([N+](=O)[O-])c1F	2060120599	GYHAFKUVRBKVOI-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCOc1ccc(C=O)c(B(O)O)c1OC	2060133381	ZSAFMDZQGUGWAI-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCc1c(B(O)O)ccc(C=O)c1OC	2060165117	QRQKRVIDTWVDIJ-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
COCc1nccn1-c1nccc(C)c1B(O)O	2061995256	AUSQUXHEKYFIKG-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
O=C1CN(Cc2ccn3nncc3c2)CC(=O)O1	2066091661	SFPMJPYQVVRDIW-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2C[C@]2(F)C1	2210010156	NZUZBUQMACSRJC-CBAPKCEASA-N	201.245	-0.200	50	10	BBGE	
O=c1cccnn1Cc1ccc(B(O)O)s1	2211072822	RGBFCUZANCFVAY-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
CCN(CCOC)Cc1cc(B(O)O)cs1	2211073156	WZWHSPAFHSHVCD-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
OB(O)c1cccc(CN2CC=CCN2)c1	2211134366	MEEGMKYVMDWANQ-UHFFFAOYSA-N	218.065	-0.757	50	10	BBGE	
OB(O)c1cccnc1NCc1ccco1	2212606215	QISNBUBFPHFYJH-UHFFFAOYSA-N	218.021	-0.034	50	10	BBGE	
C#C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214595430	LVIKYEJYWBFXCI-LLVKDONJSA-N	229.088	-0.179	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCN1	2214596577	QMCWIPJQSZRQAN-SNVBAGLBSA-N	234.108	-0.840	50	10	BBGE	
CN1CC[C@@H](COC[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773574	BRDOBVWJSCOQGM-VWYCJHECSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@H](CO)[C@@H]3C2)CCC1	2216493813	MPUYEKWSWIQFFZ-ILWJIGKKSA-N	239.319	-0.683	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cn2)CCC[C@H]1O	2217180892	LPLXBJRJNDGACX-KOLCDFICSA-N	236.080	-0.523	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2nccc(B(O)O)c2F)C1	2217182117	ZIEQKHJVQKUXLJ-RNFRBKRXSA-N	239.059	-0.808	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C(C)(C)CN	2217183018	IJQPYDCCYGDCQN-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
CC(C)[C@H](CCN)Oc1ncccc1B(O)O	2217184107	MSEMMWBRMBMMJE-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CCOC1CC(Nc2ncccc2B(O)O)C1	2217202963	NTSSSJGIGQLIIA-UHFFFAOYSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncn(C)n1	2223624640	ASCSAFYIWGIYJT-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C12CC(CO1)C2	2223673184	JAFSLZZIOIKADA-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
CCSCCCNC(=O)C#CB(O)O	2241467921	DFQBHLOZIDZBJQ-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
O=C(N=c1ccs[nH]1)[C@H]1C[C@@H]1B(O)O	2241495562	KQXWFDBHBVDMBU-WHFBIAKZSA-N	212.039	-0.634	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cscc1B(O)O	2243346818	DECXTZMQHNPEKK-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
C=C1CON(C(=O)c2ccc(B(O)O)s2)C1	2243349091	FUDGDSWVLXYTCR-UHFFFAOYSA-N	239.061	-0.629	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1sccc1B(O)O	2243356465	IFIWEBPGGWKYIZ-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
CN(CC1CNC1)C(=O)C1(B(O)O)CCC1	2243358584	IDYVCDHUPAJTLJ-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
CC(C)CCNC(=O)c1ccc(B(O)O)o1	2243361939	JMUUAKKCOIWSDG-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
Cc1ncnc(NC(=O)C2(B(O)O)CC2)n1	2243364603	ZPMURFYIWALRSS-UHFFFAOYSA-N	222.013	-0.874	50	10	BBGE	
CCN(CCF)C(=O)c1csnc1B(O)O	2243377782	GZMXWSUWVXBPAW-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
C#CC[C@H](COC)NC(=O)[C@H]1C[C@@H]1B(O)O	2243392903	XPXNMHQNETXWPZ-VGMNWLOBSA-N	225.053	-0.996	50	10	BBGE	
C[C@@H]1CCN(C(=O)C#CB(O)O)C2(CC2)C1	2243399809	QPXAAQKMKLDBMV-SECBINFHSA-N	221.065	-0.207	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOCC12CC2	2243420630	WMRUTZHWRKDFSG-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
CC(C)CN(C)C(=O)c1cocc1B(O)O	2244205026	DRDDSDCLRFTCIE-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3C[C@H]32)n1	2247233454	PTQKDPNAUVOZFQ-IONNQARKSA-N	234.064	-0.631	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1F	2247752188	KLACEQNDBHIENN-HTQZYQBOSA-N	240.043	-0.972	50	10	BBGE	
O=C(N1C[C@H]2[C@H](O)CC[C@H]2C1)C1(B(O)O)CC1	2247755596	KLLPHPGEBRXMEW-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
C[C@@]1(CN)CCCN1C(=O)C1(B(O)O)CCC1	2247756053	LVHZNZZYGYUFMR-JTQLQIEISA-N	240.112	-0.277	50	10	BBGE	
O=C(N[C@]12CCNC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786879	IAMLPYKHEPCOPK-CKEKPRIKSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(CC1CC1)C1CNC1	2247803613	BUIKTSMMLBMBDK-ZJUUUORDSA-N	238.096	-0.940	50	10	BBGE	
NCCCCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247805370	JZSDDZVERTYDCG-MGCOHNPYSA-N	242.128	-0.125	50	10	BBGE	
O=C(NCCCn1cccn1)[C@@H]1C[C@@H]1B(O)O	2247806063	DBERVODIKABVRV-BDAKNGLRSA-N	237.068	-0.748	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247806520	FRCUPUAXESWWKB-QEYWKRMJSA-N	241.096	-0.364	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C(C)(C)C1	2247808780	WEFOTNRLXHNKOI-BDAKNGLRSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247851671	ICYLYONVJTVCSR-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247871615	FEEPHKSKUQOUFW-BDAKNGLRSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247877789	DHJZVWLTUQPQFM-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)C[C@H](CO)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887833	SCANVGURSGVZSM-VGMNWLOBSA-N	241.096	-0.531	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCOC1	2247895984	WNINTZRMTAIOTM-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
CCOC12CC(C1)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247900177	USEBWJNVBMQLSG-GWMJWBFUSA-N	239.080	-0.371	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)cc1O	2247963849	REZAQHCAXYBGCJ-ZETCQYMHSA-N	235.048	-0.624	50	10	BBGE	
COC(=O)C1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2248253868	APKWKYKGQVLFDQ-KNVOCYPGSA-N	241.052	-0.939	50	10	BBGE	
CC(C)(C=CC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2248577599	KITLFBGQIUFHKN-BQBZGAKWSA-N	241.052	-0.615	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1cc(B(O)O)co1	2249428692	FJKYBRDVSUBJHZ-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1cocc1B(O)O	2249430916	QMHKANAORSGAQO-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC[C@@H]1O	2249933038	PTGFXGKMWGXNRD-SDNRWEOFSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	2251026455	SRUMPORRMBCTNT-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2251726378	JJYXNGUGXGZASE-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ccncc1B(O)O	2255444923	QBFIGMFVVOYODY-LBPRGKRZSA-N	248.091	-0.224	50	10	BBGE	
O=C(NCCCC1CC1)c1ncc(B(O)O)cn1	2255470605	HDHRKOCVOKNLLJ-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
C#CCCCNC(=O)c1cccc(B(O)O)c1F	2255497961	KIXZBQRRYQPUTL-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@@H]3C[C@@H]32)c1B(O)O	2255573939	UHTGOVRQBZFTQS-BDAKNGLRSA-N	246.075	-0.696	50	10	BBGE	
Cc1ccnc(C(=O)N(C)[C@@H]2C[C@H]2C)c1B(O)O	2255575200	MUTRSHIQBCDLSA-RKDXNWHRSA-N	248.091	-0.450	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1coc(B(O)O)c1	2255718613	CCJLJNGARMWAOG-VIFPVBQESA-N	249.075	-0.121	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC[C@@H]2C[C@@H]21	2255735131	NUGOPYFZGROMAS-XCBNKYQSSA-N	249.050	-0.260	50	10	BBGE	
C#C[C@@H](CC)NC(=O)Nc1ccc(B(O)O)cc1	2255912936	ZGKRVYPMYPOCSB-JTQLQIEISA-N	246.075	-0.100	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165682	RZHDJFCEFKYKHK-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C=C[C@@H]2C3)c1	2298224892	IKAJEYNGXNCDMV-MWLCHTKSSA-N	230.076	-0.084	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298375114	YZTWGINLMURMKF-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1CCOCC(=O)NN	2300042287	OLBHEMLDROTMDE-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301493186	VPDKJMPKEUMDHP-MIZYBKAJSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1[C@@H](CF)N([C@H](C)C(=O)NN)C[C@H]1OC	2302218451	UVKXNKZBLRLUEB-BGZDPUMWSA-N	249.286	-0.952	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]2CC[C@H]1C2	2312941323	CODCBQNZRLLNRD-VWYCJHECSA-N	247.103	-0.036	50	10	BBGE	
OB(O)c1cnc(N2Cc3cccnc3C2)nc1	2315387390	QGMAOBMFJFDGQV-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
CN(CCc1cccc(O)c1)C(=O)C#CB(O)O	2316808299	WQSOCMAWWXNNDS-UHFFFAOYSA-N	247.059	-0.592	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@H](N)C1	2317150553	GSCCVHUWZCBACC-WDEREUQCSA-N	246.075	-0.503	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCCl)C(=O)N(C)C	42576111	SAAQRKCZLFFDBM-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
NNC(=O)CCCCCSc1nncn1N	71292081	XFDWEGKWSZEVOO-UHFFFAOYSA-N	244.324	-0.366	50	10	BBGE	
CCn1c(S[C@H](C)CC(=O)NN)n[nH]c1=O	82472680	HYFVTHHLWPUSCW-RXMQYKEDSA-N	245.308	-0.548	50	10	BBGE	
O=C1NCCCC[C@@H]1NS(=O)(=O)CCl	82512743	ANUPQAOXXDUBGU-LURJTMIESA-N	240.712	-0.229	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)NC(=O)C1	85085467	ZKULKSZRQMQJLV-SCSAIBSYSA-N	204.613	-0.901	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCN(C)C	86313679	IOSUYULYCPXADA-BDAKNGLRSA-N	216.329	-0.506	50	10	BBGE	
C[C@H](SC[C@H](O)CO)[C@@H](C)C(=O)NN	86661920	FFAFLHMBJVIAKA-DSYKOEDSSA-N	222.310	-0.913	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125792160	ILBUVSXXOQVEAH-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
N#C[C@H](Cl)CN1CC(=O)N2CCC[C@@H]2C1=O	139599451	GMGQEIKMCXCUDK-JGVFFNPUSA-N	241.678	-0.049	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CO)C1	166152069	HKZKIVZQITYEMW-IUCAKERBSA-N	215.297	-0.685	50	10	BBGE	
N#CC/C(N)=N/NC(=O)c1ccncc1	167452531	KICINTQPIDSASE-UHFFFAOYSA-N	203.205	-0.003	50	10	BBGE	
[C-]#[N+]CC(=O)N[C@H]1CCS(=O)(=O)C1	216708894	XFXUWGDHCCGJLN-LURJTMIESA-N	202.235	-0.791	50	10	BBGE	
NNC(=O)Cn1nc(N)c2cccnc21	260469295	JLYBTWXGCNPFSU-UHFFFAOYSA-N	206.209	-0.997	50	10	BBGE	
CNC(=O)C1CN(S(=O)(=O)CCl)C1	306553990	LEQAMUHVNRYKFY-UHFFFAOYSA-N	226.685	-0.810	50	10	BBGE	
Nc1cc(B(O)O)c2c(O)csc2c1	307172709	NEBUUQNTYYBAOT-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN(C)C(=O)CNc1nc(N)nc(CCl)n1	309340928	WZVVECZIDJFXJN-UHFFFAOYSA-N	244.686	-0.307	50	10	BBGE	
CC[C@@H](CO)N(C)[C@@H](C)CC(=O)NN	379035507	ZETDGPMBHHWDJB-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(OC)C1	379849403	AGMHGEMPWLZCOF-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
CCS[C@@H]1CCCN(C(=O)C(=O)NN)C1	383580242	VVLUMRPIBVNHFJ-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)[C@@H]1CCOC1	390512691	CAUYGFHSEBCCRC-VXNVDRBHSA-N	229.280	-0.832	50	10	BBGE	
CC(C)(C)c1ncn(-c2ccc(B(O)O)cn2)n1	394708650	YNLIMVJGBABQDZ-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1/C=C/C(=O)O	396135153	WFWVAFJKHCYYEO-GQCTYLIASA-N	245.043	-0.080	50	10	BBGE	
CNC(=O)NCCN=c1[nH]nc(CCl)o1	397417563	RCSNKGNRBPAICF-UHFFFAOYSA-N	233.659	-0.429	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCCOC1	401629746	VNLPXUPITKSUJI-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)OCC(=O)Nc1ccc(B(O)O)cc1	404912611	KYRNNNPHQZGOHW-UHFFFAOYSA-N	237.064	-0.270	50	10	BBGE	
C#C[C@]1(O)CCN(C(=O)CBr)C1	575564072	BAWPUZAIHVICLG-QMMMGPOBSA-N	232.077	-0.022	50	10	BBGE	
CC(=O)NNC(=O)C[S@](=O)C(F)F	586366283	RIFDVQSRLQMDFH-ZDUSSCGKSA-N	214.193	-0.875	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCc2ccccc21	687257965	RQJUYZQZMBFQOZ-VIFPVBQESA-N	219.244	-0.220	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H](C)[C@@H]1O	688122446	QKACTRXLFUKHDQ-JZYVYDRUSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]([C@@H](C)O)C1	688961851	VIFBTJPBGMVUNR-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)C[C@@H](C)O1	689159629	IGHXMDDTESXDHS-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCC[C@@H]1O)C(=O)NN	689840768	IIBWWCSLVRTBLH-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1C	690064218	AAEUPURTEIPAAW-MWLCHTKSSA-N	249.075	-0.352	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cncnc2)CC1	692116594	ZSKXCLMJLCMUQT-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)CCCl	696851246	GLHRXLUVYGUWLO-YUMQZZPRSA-N	241.740	-0.031	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)C[C@@H]1C(=O)O	701949973	FOMHYRBYEFYATC-BQBZGAKWSA-N	231.252	-0.796	50	10	BBGE	
CCS(=O)(=O)N1CCC(C(=O)NNC)CC1	704617859	ZDSKBGWJVFFOOU-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	706170442	CKUTVNOOQCUAOQ-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](O)CCl	708492215	NLDSBXIINDQMFT-YUMQZZPRSA-N	243.756	-0.049	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(n2cc(CN)nn2)C1	722379722	KDUYFNXUCCFPGZ-LURJTMIESA-N	243.698	-0.253	50	10	BBGE	
C[C]1SC(C)=C[C@@H]1C(=O)NCB(O)O	725654470	ZKCWDSXLBJXONM-ZETCQYMHSA-N	214.075	-0.067	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CC1(C)C	768259046	DSJAXGGDXXPLFN-LURJTMIESA-N	214.265	-0.049	50	10	BBGE	
CCN(C=O)CNc1cccc(B(O)O)c1	1088207797	ITGKFSKFUQZLFQ-UHFFFAOYSA-N	222.053	-0.786	50	10	BBGE	
N#Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)co1	1118975374	NJSXTSATBNKVFE-QMMMGPOBSA-N	234.020	-0.160	50	10	BBGE	
O=C1C[C@H](CNS(=O)(=O)CCl)CCN1	1260927388	DFQAUZBVHACJAI-ZCFIWIBFSA-N	240.712	-0.372	50	10	BBGE	
CCOC(C)(C)C(=O)NNC(=O)c1cnn[nH]1	1443545792	VZRLRZKGHPIEMR-UHFFFAOYSA-N	241.251	-0.619	50	10	BBGE	
CN(NC(=O)c1cncc(C=O)c1)C(N)=O	1596555183	PFDOZMKNJFFFAD-UHFFFAOYSA-N	222.204	-0.451	50	10	BBGE	
O=C(COC[C@@H]1CCCO1)NNc1nc[nH]n1	1641620212	SRPKHNZKRCYYDA-ZETCQYMHSA-N	241.251	-0.557	50	10	BBGE	
Cc1nn(C)cc1CC(=O)NNc1nc[nH]n1	1654622339	UYIZJESGHRPGRY-UHFFFAOYSA-N	235.251	-0.468	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880029410	BLWQVQSQRZKGTC-BQBZGAKWSA-N	247.295	-0.407	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2Br)CC(=O)N1	1883527717	IXXSGABFJOVMTC-RITPCOANSA-N	247.092	-0.272	50	10	BBGE	
CC[C@@H](N)CSCCOCC(=O)NN	1885976770	QVGFNECARKUWEZ-SSDOTTSWSA-N	221.326	-0.537	50	10	BBGE	
CC[C@@H](OCC1CN(C)C1)C(=O)NN	1886371251	VIGVXIFSUOJXEC-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(CCCl)CCNCC1COC1	1886760967	BOEDUXGTPPAREC-UHFFFAOYSA-N	241.740	-0.124	50	10	BBGE	
CC(=O)NNC(=O)CN1CC=C(F)C1	1892436460	PYQUUCJCVLPLFK-UHFFFAOYSA-N	201.201	-0.677	50	10	BBGE	
CN1CC(=O)N(C[C@@H]2C[C@H]2Cl)CC1=O	1893097580	CILHSKXRJPSOSL-NKWVEPMBSA-N	216.668	-0.086	50	10	BBGE	
OB(O)c1cc(-n2cc(Cl)cn2)ncc1F	1903006060	OKMCAMXUFZWPDQ-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CCO[C@@H]2C1	1908720406	BFPRRRXBUIQOQM-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914261817	IJZIUYDBTSQZST-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
CO[C@H]1CCN(CC2(C(=O)NN)CC2)[C@@H]1C	1914344972	AADPBATXZTXXJY-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCCOC1CC1	1927917418	KQDOUFYMTBGBSA-APPZFPTMSA-N	214.265	-0.192	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)N1CCC1	1929938637	HQWZINHJQXPENK-QMMMGPOBSA-N	231.277	-0.305	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)O	1932715173	BTCPRVNTPIVXJH-RRKCRQDMSA-N	213.237	-0.423	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1934049756	PHHATSFRLVCSQH-MAUMQABQSA-N	213.281	-0.648	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CCC(=O)NN	1934981147	NPTJEOUIGUHQPX-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CC12COC(CN3CC(=O)OC(=O)C3)(C1)C2	1936461616	NAUSBBBCZVREDJ-UHFFFAOYSA-N	225.244	-0.059	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)CC1(C)C	1937790640	HXUOXLOLLGZGOQ-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COCC[C@H]21	1941371944	FWRIWRSWZPSLFF-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
CO[C@H]1CN(CCOCC(=O)NN)CC12CC2	1944719994	QRDILMZVNIWVCR-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@@H](N)[C@H]1C	1946655053	XBWWPMAJMBSLPZ-VAOFZXAKSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CN)SC[C@@H]1C[C@H]1C(=O)NN	1954406781	OEIVPCKHTIBMAC-DSYKOEDSSA-N	203.311	-0.307	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H](O)[C@H](O)C1	1954513119	KYNVEEZDOWVKJQ-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1958268509	BEMJYDDMSIMASI-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)(CSCCOCCN)C(=O)NN	1961086517	JDOOGRHQBPRNBA-UHFFFAOYSA-N	235.353	-0.289	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CCC(=O)NC1=O	1962393733	QVKUAAONXDMLMP-WDSKDSINSA-N	232.667	-0.075	50	10	BBGE	
C=CCS(=O)(=O)N1C[C@H](C)OC[C@@H]1N=C=O	1979162978	JKMOSEVZBSCGPM-DTWKUNHWSA-N	246.288	-0.115	50	10	BBGE	
Cc1nc(Cl)nc(C)c1C(=O)NNCCO	1980606837	VZWJINCIWNXJJY-UHFFFAOYSA-N	244.682	-0.026	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2CS3)nc1	1981413546	HZYLFYHCMKBAPV-DTWKUNHWSA-N	236.105	-0.545	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Oc1nc(B(O)O)cs1	1981425315	FGRIQBQLRDFWBI-BQBZGAKWSA-N	243.093	-0.373	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1CC[C@@H](C(=O)NN)O1	1986049305	QOSCUXYTLULAMK-CIUDSAMLSA-N	232.280	-0.425	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnsn1	1990775328	UQIGDZGYNVJCHD-UHFFFAOYSA-N	243.292	-0.863	50	10	BBGE	
NC[C@@]1(O)CCCN(C(=O)C=CC(=O)Cl)C1	1991650087	LGCBJKHXAKIYPM-JTQLQIEISA-N	246.694	-0.380	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CNCC[C@@H]1CO	1991716949	QIKMEWQUFJCYRE-XLNBVVSQSA-N	246.694	-0.605	50	10	BBGE	
CN(CCF)C(=O)c1ccccc1B(O)O	1992835631	FJAJXZYQZZGROF-UHFFFAOYSA-N	225.028	-0.592	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(CO)CC(C)C1	2000575958	FIHPREQQPZUFRG-YUCVTWSNSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CN1CCN(CCC#N)CC1)C(=O)NN	2003828169	JKABLDWELVKOJU-JTQLQIEISA-N	239.323	-0.856	50	10	BBGE	
CC(C)N1CCN(CCCC(=O)NN)C(=O)C1	2004289054	JLICQEXXAJDBPG-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
Cc1ccc([C@H]2CN(CC(=O)NN)CCO2)o1	2004416100	DCYRTHDAYJRZDU-SNVBAGLBSA-N	239.275	-0.049	50	10	BBGE	
C[C@H]1CC(F)(F)CN1c1ncncc1B(O)O	2004916907	RGHYKLSWPNOEEY-LURJTMIESA-N	243.022	-0.610	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@H]2C[C@@H]2C)n1	2005102926	ANDRHBPJXSLEOA-RCOVLWMOSA-N	235.096	-0.382	50	10	BBGE	
CC(C)C(=O)NCCc1ccc(B(O)O)cc1	2008779460	HFTUZMGPFPZQFD-UHFFFAOYSA-N	235.092	-0.319	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)cc1	2011371346	BHFHBPFHARLOEM-LDYMZIIASA-N	235.287	-0.145	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C[C@@]1(O)CCOC1	2013284173	KCWCLGGGXBELSD-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
Cc1ncnc(C)c1CN(C)C(=O)C(=O)NN	2014121855	YQJYNGLNSPBZKF-UHFFFAOYSA-N	237.263	-0.958	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@H]2CC[C@@H]21	2015990594	PFOAEDQAIUVAAJ-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]2[C@H]1C2(F)F	2021106518	HBFGOXULEMNYGG-CSMHCCOUSA-N	243.018	-0.591	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)c(C)n1	2021164672	KWUKUEFHLIKTKS-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccccc2B(O)O)[C@@H]1C	2022199997	MOEHYHXXAICFSU-DTWKUNHWSA-N	233.076	-0.153	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC[C@@H]2C[C@H]21	2040234970	GFODFMMWYQMCEI-IWSPIJDZSA-N	246.075	-0.254	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1C[C@H]1C1CC1	2040766668	HHTNUOVUSVLHQI-IUCAKERBSA-N	247.063	-0.859	50	10	BBGE	
CCc1cnn(-c2nc(C)nc(C)c2B(O)O)c1	2052608562	KGHLKOXNYANKKI-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H](O)C2)cn1	2056635748	RRNVNSJEICINKA-SNVBAGLBSA-N	248.286	-0.582	50	10	BBGE	
COc1ccc(B(O)O)c(C=O)c1C#N	2060190056	WBLTYACZIVDWIN-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
Cn1ccc(C2CN(C[C@H]3C[C@H]3C(=O)NN)C2)n1	2074816438	UQBCZGDSFOEHOB-PSASIEDQSA-N	249.318	-0.555	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)c1ccccc1B(O)O	2079010687	SDUWFYRTBAFWNX-LDYMZIIASA-N	249.075	-0.726	50	10	BBGE	
OC[C@]1(O)CCN(CCCl)C[C@@H]1O	2209146831	AVGXLXBQZVGPKW-JGVFFNPUSA-N	209.673	-0.985	50	10	BBGE	
CN1CCC[C@H]1COCCOCC(=O)NN	2211863046	ZYDZXLVXTJSMNI-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC23CC3)c1	2212600659	DYNSOSRTRKEMJC-QMMMGPOBSA-N	218.065	-0.027	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCO2)c1	2212611352	ZODDNGSDMRVARC-SECBINFHSA-N	222.053	-0.648	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)CC12CCCC2	2212760385	PFAQXUBVILNYRC-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
CN(C[C@@H]1OC[C@H]2CCC[C@@H]21)C(=O)C(=O)NN	2213207823	DIFYCDOFAZZSTP-VGMNWLOBSA-N	241.291	-0.750	50	10	BBGE	
OB(O)c1cncc(OC[C@]2(F)CCOC2)c1	2216334478	CSYORBPJZPKBCG-JTQLQIEISA-N	241.027	-0.731	50	10	BBGE	
CN(C)CCOCC1(C(=O)NN)CCOCC1	2216873148	MIOMGUAKWSPHJM-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@H](CNC1CC1)Oc1ncccc1B(O)O	2217165105	FZUVYABOKVXHLY-MRVPVSSYSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1cnc(NC2CC(C3CC3)C2)nc1	2217173683	SQNIDSDHTRLOKO-UHFFFAOYSA-N	233.080	-0.243	50	10	BBGE	
OCCN(c1ccc(B(O)O)cn1)C1CCC1	2217176933	CBCALYXQHCWPNK-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2ncc(B(O)O)cn2)O1	2217178773	ZMRSWDCUGWNLRQ-CBAPKCEASA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(N2C[C@H](O)C[C@H]2C)cc1B(O)O	2217179652	AODYUDNPBNUREJ-RKDXNWHRSA-N	236.080	-0.971	50	10	BBGE	
Cc1cnc(OCC2(CN)CC2)cc1B(O)O	2217193483	NHSCJJURZLAJSI-UHFFFAOYSA-N	236.080	-0.812	50	10	BBGE	
CCN1CC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217194918	YOZVHGMSGPDMGP-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
CCN1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217196522	GXXCVENTFHRCST-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
CCC[C@@](C)(O)CNc1ncc(B(O)O)cn1	2217202220	VHLJZOMYTRJLLL-SNVBAGLBSA-N	239.084	-0.881	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220064617	OVDOIPKIZCBLHL-CYZMBNFOSA-N	246.119	-0.855	50	10	BBGE	
OB(O)c1cccnc1NCC12COCC(C1)C2	2223640965	ZWYHGGGZWUMVJX-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(N2CCN[C@H](C)CC2)cc1B(O)O	2223652840	MDDGRWURFJWKQP-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
CC12CC(CNc3ncccc3B(O)O)(CO1)C2	2223666394	LXJKJMXTNZPHNG-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCCC[C@H]1C2	2224029431	IOKWIHJZSOCXSD-JOYOIKCWSA-N	248.091	-0.497	50	10	BBGE	
C[C@H](CF)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2241733493	ZFZWGIBCBFOILZ-VQVTYTSYSA-N	203.022	-0.334	50	10	BBGE	
CCn1c(O)cc(=O)n(C[C@@H](Cl)C#N)c1=O	2243058221	GTUYAMGBOBPZBO-LURJTMIESA-N	243.650	-0.134	50	10	BBGE	
O=C(NCc1cocn1)C1(B(O)O)CCC1	2243347099	HFQRNWFVCRPPHF-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H](F)C1	2243350030	UNBMNSWSUNCEAA-ZETCQYMHSA-N	227.000	-0.857	50	10	BBGE	
C#CC[C@H](COC)NC(=O)C1(B(O)O)CC1	2243363384	GANILMIDOJXODQ-MRVPVSSYSA-N	225.053	-0.852	50	10	BBGE	
C=CCNC(=O)c1cccc(B(O)O)c1F	2243366998	LXZXOYBEVDPRHT-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)cs1	2243385190	DSTFPOHXEZGPCD-MRVPVSSYSA-N	237.089	-0.124	50	10	BBGE	
C=C1CC(NC(=O)c2sncc2B(O)O)C1	2243386243	XAACHMDYAGHBFC-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
Nc1ncccc1NC(=O)[C@H]1C[C@H]1B(O)O	2243396057	GUKHUSRRZVVKPU-NTSWFWBYSA-N	221.025	-0.535	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1O)C1(B(O)O)CC1	2243398290	OCNNZEJOACMHFG-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1csnc1B(O)O	2243398938	VPAODLFRGDCGAY-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
CCNCCN(C)C(=O)C1(B(O)O)CCC1	2243399186	YKIRKMFQRNJTMP-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
CC[C@@](C)(CCO)NC(=O)C1(B(O)O)CC1	2243411315	RHTLWUKYIXUHMP-VIFPVBQESA-N	229.085	-0.339	50	10	BBGE	
O=C(NCCCC1(O)CC1)[C@H]1C[C@@H]1B(O)O	2244115620	ZIZWOVZQXHVZEE-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cocc1B(O)O	2244205707	MNSXMKUMSKARMB-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
COc1ccc(B(O)O)c(OCC(C)(C)F)n1	2247232563	HBQONQZNVWRUAW-UHFFFAOYSA-N	243.043	-0.103	50	10	BBGE	
C=CCOC1CCN(C(=O)C#CB(O)O)CC1	2247743660	HHQJZMIODDYSQV-UHFFFAOYSA-N	237.064	-0.805	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1F	2247755275	CKRRZBKMWUOMBY-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
O=C(NC[C@H]1OCC[C@@H]1F)C1(B(O)O)CCC1	2247756054	KXTPKBVATYAXGF-JGVFFNPUSA-N	245.059	-0.373	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)cn1C	2247767042	UZCCJKVLDMKQLU-UHFFFAOYSA-N	240.043	-0.740	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]1CCCO	2247799520	DVPJKNVUEBGVJG-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1CO	2247804360	GQYROEDDTIZUGC-XKNYDFJKSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@H]21	2247805968	LORGAKNQCJPRBN-WLRJLXCNSA-N	239.080	-0.779	50	10	BBGE	
CO[C@H]1CC(=O)N(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807341	QQTCDMPRANKCLO-FXQIFTODSA-N	241.052	-0.987	50	10	BBGE	
CCC=CCNC(=O)c1ccc(B(O)O)cn1	2247866212	IMABKPHXCLAQPR-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CN(C[C@@H]1CCCNC1)C(=O)C1(B(O)O)CC1	2247873824	MNOJQMODDRDIMW-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)cn1C	2247874274	KYZORYLKOFCJQW-QMMMGPOBSA-N	236.080	-0.743	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CC[C@@H]21	2247875170	WJAQJGAWWINWHT-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(O)(C2CC2)C1	2247892870	IZEMIVQBSBRVKJ-UHFFFAOYSA-N	239.080	-0.777	50	10	BBGE	
CC(C)CCN(CCO)C(=O)[C@@H]1C[C@H]1B(O)O	2247898985	JBRRSLDPVLEREC-NXEZZACHSA-N	243.112	-0.284	50	10	BBGE	
NC[C@]1(F)C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899731	PTEDXTRNAFXAGH-GHCJXIJMSA-N	244.075	-0.958	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN(C)C(=O)C1CC(B(O)O)C1	2247904910	RKYRSSFWXUSCHI-QLVNRRSVSA-N	241.096	-0.267	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)C1(B(O)O)CC1	2248573597	HBTPIAAULOJEOZ-VIFPVBQESA-N	241.052	-0.541	50	10	BBGE	
O=C(NCC=CB(O)O)c1c[nH]nc1C1CC1	2248643906	GDDIQXMKEUIINV-UHFFFAOYSA-N	235.052	-0.415	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CC[C@H]21	2249416376	QSVOMJVEPDGSAC-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249614398	SJRKFWXNCISBDD-WYFGTUCQSA-N	241.335	-0.152	50	10	BBGE	
C=CC1(NC(=O)c2cncc(B(O)O)c2)CCC1	2255521477	XAVRPIZKWOQAFA-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1cncc(B(O)O)c1	2255522761	NYBFSSZIKXUJSF-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
C#CC(CC)(CC)NC(=O)c1c[nH]nc1B(O)O	2255553974	GCBFLZPFVRMXGO-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2ccncc2C1	2255568969	RHFCRCLOLBDDMU-GHMZBOCLSA-N	246.075	-0.171	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(B(O)O)c[nH]1	2255673172	OHFXPBZTYKTWOW-FKTZTGRPSA-N	248.091	-0.387	50	10	BBGE	
Cc1cccc(C(=O)N2CC=C(F)C2)c1B(O)O	2255734487	BMSSNVRHVCDHHL-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
O=C(N[C@H](CO)c1ccccc1)[C@@H]1C[C@@H]1B(O)O	2255775901	YLAMOEUECHILBR-OUAUKWLOSA-N	249.075	-0.301	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2298375330	FTLCJHUPMPZYSZ-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCCOC2)[C@@H]1C[C@H]1B(O)O	2298376153	KQPVRURCOQVETE-SDNRWEOFSA-N	239.080	-0.465	50	10	BBGE	
CN1CC[C@H]1COCc1nc(C(=O)NN)co1	2299040070	LLWLLCSXDNQSQO-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
CCN(CC(=O)NC)[C@@H](C)CCCC(=O)NN	2302021610	BRJPFCFBKFRILS-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
C[C@H]1[C@@H](Oc2ncncc2B(O)O)CC1(C)C	2302112287	RWKIYVXVBSMURZ-CBAPKCEASA-N	236.080	-0.030	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1C[C@H]1CN	2317161432	LYLSVWORALQPGD-WCBMZHEXSA-N	246.075	-0.788	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317161609	DWUADWBRCPTPBB-VXGBXAGGSA-N	246.075	-0.173	50	10	BBGE	
C[C@@]1(O)CCN(c2ccc(B(O)O)cc2C#N)C1	2317164072	VFPHZGDULINOKD-GFCCVEGCSA-N	246.075	-0.801	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)C1CNC1	2317164732	CYBZWMUMRROHKC-QMMMGPOBSA-N	245.091	-0.742	50	10	BBGE	
CN(C)C(=O)CN(C)C(=O)NC(=O)CCl	37271926	LOYCXMGXOXEQKE-UHFFFAOYSA-N	235.671	-0.519	50	10	BBGE	
CCOCC(=O)NNC(=O)c1ccc(C#N)cn1	66654050	PFAYVVHMRFYBOW-UHFFFAOYSA-N	248.242	-0.249	50	10	BBGE	
CCCC(=O)N/N=C(\N)c1nnc(N)o1	75621336	PJFGJWNNNKVUCZ-UHFFFAOYSA-N	212.213	-0.812	50	10	BBGE	
CCOCCN(C)CC(C)(C)C(=O)NN	87979975	HCECIPXUPXDONO-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
C[C@H](CO)N(C)CC(C)(C)C(=O)NN	125433770	YMNWVKNZQWJNBK-SSDOTTSWSA-N	203.286	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@](C)(O)C1	157539910	CPGNKSGMXZKGFY-ATZCPNFKSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)NS(=O)(=O)NC1(CCl)CC1	168671083	STWCXQQLMYLGBM-UHFFFAOYSA-N	242.684	-0.052	50	10	BBGE	
CCN(CC)C(=O)c1ccc(F)cc1B(O)O	198006521	HVTJZCIZGUUWEA-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
O=c1ncccn1Cc1ccc(B(O)O)cc1F	199001025	KSDBJVMFLUQTMN-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=[N+]([O-])c1cc(B(O)O)cc(C(F)(F)F)n1	206086306	PEPCGRUPJFATPY-UHFFFAOYSA-N	235.914	-0.312	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](C(N)=O)C1	222174187	JAHMBFNXMJGKRX-DJLDLDEBSA-N	242.323	-0.802	50	10	BBGE	
CC(=O)NCC1CCN(CCC(=O)NN)CC1	226315525	OIRTZKBEOGZLQH-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H](C)C1	232420789	YQOXPELPRWGLJV-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
Cc1cnn(Cc2cccc(B(O)O)c2)c(=O)c1	235965992	OIIPXASQWVBYLL-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN2CCC[C@H]2C1	250688607	HNXDCZMGHAVPRE-QWRGUYRKSA-N	240.351	-0.219	50	10	BBGE	
CN1CC[C@H](C2(C(=O)NN)CCOCC2)C1	258979854	JJIODHKNNGUGPN-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
OB(O)c1cc(F)c(O)cc1Br	306286250	FYXJBWXDADNWJU-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
COC(=O)/C(C#N)=C(\N)CC(=O)N(C)C	308686767	MYLKMZXSGRZTJC-SREVYHEPSA-N	211.221	-0.626	50	10	BBGE	
CN(C)C1CN(Cc2ccc(B(O)O)cc2)C1	382278715	KIOFOXDECIBUNW-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C(=O)OC)CC1	387195101	NEXKDYJUCSSHEQ-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
CC(C)C[C@H]1C[C@H]1CNC(=O)C(=O)NN	388029584	HBGSOYZXQCYRLQ-YUMQZZPRSA-N	213.281	-0.225	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@H]1CC[C@H](C(=O)NN)O1	390804754	XSMFQGPSAODKRS-IWSPIJDZSA-N	241.291	-0.465	50	10	BBGE	
CN1CC=C(CN2CC(=O)OC(=O)C2)CC1	392791919	HALKCBBJSMDVEK-UHFFFAOYSA-N	224.260	-0.366	50	10	BBGE	
CCC1(O)CN([C@H](C)CCC(=O)NN)C1	394942643	SRRMKVRVBMNTEF-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1OC	396029626	FTNSYGKYDIUDMO-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
O=C(O)c1cc2sccc2c(B(O)O)c1O	396380612	KDIXNOWWDDINQT-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O[C@H](CCl)CN1CCN2C[C@@H](O)C[C@@H]2C1	405242117	WSEODDONCJKNAM-KXUCPTDWSA-N	234.727	-0.663	50	10	BBGE	
OB(O)c1cnn([C@H]2C[C@H]3CC[C@H]2C3)c1	575597735	VBAZWZATFRCDGG-NRPADANISA-N	206.054	-0.076	50	10	BBGE	
C[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)CO	585025535	WMORNFLMGIMYIT-UWVGGRQHSA-N	237.108	-0.527	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)NCc1ccccc1B(O)O	690066715	MUWXWWBUGCLMJC-KOLCDFICSA-N	249.075	-0.983	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)CC(C)(C)C	690992252	ITBGEJMOHQGBMA-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
COC[C@H](CN(C)[C@@H](C)[C@@H](C)C(=O)NN)OC	691289336	YGRVRMPVUVJXFG-UTLUCORTSA-N	247.339	-0.406	50	10	BBGE	
COCC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	692131675	FZFGKJYDGSOMIA-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
COC[C@@H]1CCCN1CCCC(=O)NN	696548418	KDBQVRUQYDLILX-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCCl)C(=O)NC	697904886	JFNMJLKDRDWVIF-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@]1(O)CCOC1	703436083	MMMKLKUKHALUBS-SOCHQFKDSA-N	241.243	-0.946	50	10	BBGE	
C[C@H](NC(=O)c1ccco1)C(=O)N(C)N	704704863	AIBYSWDEVCNMLB-LURJTMIESA-N	211.221	-0.270	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ncnn1C	707412492	XJWLJXVOIYYEJY-SECBINFHSA-N	240.311	-0.739	50	10	BBGE	
CN(c1nnnn1C)[C@H]1COC[C@H]1Cl	709195659	SMQRGUPABHCICC-RITPCOANSA-N	217.660	-0.348	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1CN(C)CCO1	709408922	VDCKYLBCYPVLQJ-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)CC(=O)NN	710954882	SMCLWWUNWXKVOG-IUCAKERBSA-N	215.297	-0.421	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(N)=S)c1C	716625839	NOFURFHJDIJVGV-UHFFFAOYSA-N	213.266	-0.495	50	10	BBGE	
C[C@H](O)C1CN(CCCCCC(=O)NN)C1	719807089	LBPNJQYEPHVIAI-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721777653	MUZYHSYNWDNXOO-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC#CCCCC(=O)NNC(=O)c1cnn[nH]1	767973184	MDZZFTQQMCNEKI-UHFFFAOYSA-N	235.247	-0.241	50	10	BBGE	
C[C@@H]1CCC(=NNC(=O)C(N)=O)CS1	848399460	SKQGMWFAWQFBJD-RXMQYKEDSA-N	215.278	-0.141	50	10	BBGE	
C=C(C)C[C@@H](NC(C)=O)C(=O)NNC(C)=O	854155611	QZRGCGDJIODLBW-SECBINFHSA-N	227.264	-0.375	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@H](C)C(OC)OC	923647903	GPIXEVRDQLGWHZ-ZCFIWIBFSA-N	249.267	-0.094	50	10	BBGE	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(N)=O	1136543362	NQQUZZUKVBKBEV-UHFFFAOYSA-N	240.171	-0.006	50	10	BBGE	
O=C(CCn1cnnn1)NNC(=O)CC1CC1	1159628308	XISBCTCFJDATTF-UHFFFAOYSA-N	238.251	-0.989	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cn2c(n1)CCC2	1328562297	LHIAYZFNZFIODV-UHFFFAOYSA-N	237.263	-0.255	50	10	BBGE	
CNC(=O)NNC(=O)c1cn(C2CCC2)nn1	1346081617	YCOHLYQZNMJCEC-UHFFFAOYSA-N	238.251	-0.423	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(F)ccc1N	1464435015	UZBYXSBYUYNOSZ-UHFFFAOYSA-N	226.211	-0.018	50	10	BBGE	
CCCn1ncc(C(=O)NNC(=O)CO)c1C	1472538450	ZWDKNNYIWATEFU-UHFFFAOYSA-N	240.263	-0.645	50	10	BBGE	
Cc1cccc(NNC(=O)[C@H]2C[C@H]2C(N)=O)n1	1557607078	YYHLAXDUJHUQJJ-SFYZADRCSA-N	234.259	-0.045	50	10	BBGE	
C=C(C)CCC(=O)NNC(=O)c1cnn[nH]1	1632918098	AWIUWDXMRZSVBS-UHFFFAOYSA-N	223.236	-0.078	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)n1cccn1	1645303774	BKEUYVRFMFGAJV-ZETCQYMHSA-N	248.246	-0.372	50	10	BBGE	
O=C(NNC(=O)c1cc(F)c[nH]1)c1ncon1	1648115582	ITVGFBYXLSHORK-UHFFFAOYSA-N	239.166	-0.388	50	10	BBGE	
Cc1c(CN)cc(CS)c(C)c1B(O)O	1887522708	HFUJUSIEPYLEEY-UHFFFAOYSA-N	225.122	-0.128	50	10	BBGE	
O=C(O)[C@H](CO)CNC(=O)[C@H]1C[C@@H]1Cl	1893446682	PXTFQDPYAXYPJJ-ZLUOBGJFSA-N	221.640	-0.577	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C[C@@H](C)C(=O)NN	1900249686	AYQYECKNJBKZMK-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC2(CC2)C1	1900450938	KYUVCONLKBDTFE-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
CCSCC(=O)Nc1ncccc1B(O)O	1901477787	APNGGFRPCJOYEW-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](CO)C(C)C	1902079544	OPUAQQUWTJFYQQ-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
COc1cc(CN2CC[C@@H](B(O)O)C2)on1	1902544394	BRMBIVGYAIIOSA-SSDOTTSWSA-N	226.041	-0.268	50	10	BBGE	
OB(O)c1cnc(OCC2CC(F)C2)nc1	1904936191	MSNHIWGLFNSQME-UHFFFAOYSA-N	226.016	-0.717	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@H](O)[C@@H]1CF	1905071913	QXQICAUNJSMEAD-DKXJUACHSA-N	222.647	-0.507	50	10	BBGE	
C[C@@H](CN1C[C@H](C2CC2)CC1=O)C(=O)NN	1912272102	MPDQSBBEWVLITI-IONNQARKSA-N	225.292	-0.129	50	10	BBGE	
C[C@@H](CC(=O)NN)N=S1(=O)CCOCC1	1913855622	KLMACKOCNPVQTN-ZETCQYMHSA-N	235.309	-0.747	50	10	BBGE	
N[C@@]1(B(O)O)CCOC[C@@H]1C(F)(F)F	1916590769	TYABPQZHBPBZRJ-WHFBIAKZSA-N	212.964	-0.705	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1(C)CS(=O)(=O)C1	1918427775	BABGSPDUUVIIEU-RXMQYKEDSA-N	225.697	-0.083	50	10	BBGE	
C[C@H]1CCN(C(=O)CCl)[C@@H]1C(N)=O	1928672818	VKFNLGDZNROOMR-FSPLSTOPSA-N	204.657	-0.053	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1F	1928693132	XUNOGQZXGCGKIJ-FSDSQADBSA-N	205.233	-0.967	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COC[C@@H]1CCl	1928749100	PSASKXZIOPHWMK-NKWVEPMBSA-N	242.728	-0.364	50	10	BBGE	
Cc1nc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)nn1C	1929102174	OVNJVJJSQGTEJP-RFZPGFLSSA-N	228.639	-0.529	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1ncnn1C	1932761368	SUABHOYPPFUGIY-RXMQYKEDSA-N	238.700	-0.008	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1COC[C@@H]1O	1933390816	ZHNGIQOBTZOYSJ-VQVTYTSYSA-N	207.657	-0.263	50	10	BBGE	
CCN(CCN(C)C)C[C@H]1C[C@H]1C(=O)NN	1936082978	HDIQNZUXNFPLPC-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
COC1CC2(C1)C[C@@H]2N1CC(=O)OC(=O)C1	1936292707	MOQNOLKOBLYGFI-KAIZJQOQSA-N	225.244	-0.061	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@H]1CCOC1	1938247447	SZEVZISQNCQKJD-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)COCCN1CCCC[C@@H](CO)C1	1941772161	FJBRYSYHVZPAFB-SNVBAGLBSA-N	245.323	-0.913	50	10	BBGE	
COc1ccc(C(=O)NNCCO)cc1OC	1944215204	FJSBWIDMZZUIKQ-UHFFFAOYSA-N	240.259	-0.070	50	10	BBGE	
COC[C@@H](N)CC(=O)N1CCC(O)(C#N)CC1	1944278012	CJTOPMHKGISOKT-VIFPVBQESA-N	241.291	-0.773	50	10	BBGE	
O=C(NCB(O)O)c1ccc2c(c1)COCC2	1947269190	WAFRXMKTOTZHGM-UHFFFAOYSA-N	235.048	-0.499	50	10	BBGE	
COC(=O)c1cc(C[C@H](O)C#N)n(C)n1	1952221438	CGQSDJJRZFUIIN-ZETCQYMHSA-N	209.205	-0.366	50	10	BBGE	
O=C(CBr)N[C@@H]1C[C@@H](O)C[C@@H]1O	1953618354	FHIDSOKGPBUSSM-PBXRRBTRSA-N	238.081	-0.618	50	10	BBGE	
NNC(=O)C(=O)NCC1(CF)CCC1	1956338993	RUZOBUHJLBVLJF-UHFFFAOYSA-N	203.217	-0.768	50	10	BBGE	
NNC(=O)N1CC[C@H]2SC(=O)C=C2C1	1956863392	WKBRCYAQSACTKU-ZCFIWIBFSA-N	213.262	-0.156	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC[C@H]1F	1957434605	XRLYRWVSMJRWPA-RITPCOANSA-N	203.217	-0.627	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)[C@H](C)CCl	1958192253	YTCHDEYLFMZIHW-APPZFPTMSA-N	239.699	-0.653	50	10	BBGE	
C[C@@H]1C[C@@H](OC[C@@H]2C[C@H]2C(=O)NN)CO1	1961629277	OSCOESKXVNHYNT-BZNPZCIMSA-N	214.265	-0.194	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@@H]3C2)n1	1961710239	LAKGXSLMUZFIPK-RNFRBKRXSA-N	224.094	-0.331	50	10	BBGE	
COCCCSc1ncncc1B(O)O	1961710271	LJTSIYIWYGMORF-UHFFFAOYSA-N	228.082	-0.715	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCC[C@H]1F	1962628324	BISSXKXMVNAEAB-RQJHMYQMSA-N	217.244	-0.285	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1	1962744422	WTLMFCOHEWBIED-GFCCVEGCSA-N	243.071	-0.396	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12COC[C@@H]1C2(F)F	1977407264	RJUNMLYHGCNELI-POYBYMJQSA-N	235.234	-0.810	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC([C@@H](F)CO)C1	1979547597	ILXKDCPINHHQNP-APPZFPTMSA-N	233.287	-0.593	50	10	BBGE	
CNCCSCc1c(C(=O)NN)cnn1C	1980593441	NOMQZWBVDBJDMD-UHFFFAOYSA-N	243.336	-0.524	50	10	BBGE	
OB(O)c1ccc(F)c(OCC2COC2)c1	1980867666	ZVJVILOGZOSLQK-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
NNC(=O)N1CCC(N2CCOC2=O)CC1	1981088194	HVTVRBXRHLVEIP-UHFFFAOYSA-N	228.252	-0.514	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1C[C@@H]1C[C@@H]1C(=O)NN	1981163179	MCMFENLGKXYWGR-XGEHTFHBSA-N	225.292	-0.131	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(O)(C(F)F)C1	1981254929	RNPOGHZGGIJYJB-RITPCOANSA-N	237.250	-0.687	50	10	BBGE	
CC(C)[C@@H]1CCN1c1ncc(B(O)O)cn1	1981409180	JSLVXHIFLGOVNS-VIFPVBQESA-N	221.069	-0.609	50	10	BBGE	
CN(c1ncc(B(O)O)cc1Cl)C1COC1	1981468610	FKWRGRJMVNABRD-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
CN(C)CCCOCCC(F)(F)C(=O)NN	1984127635	BRHBIRCSFCYTKL-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
COC[C@@H](C)CCO[C@@H](COC)C(=O)NN	1987522292	LETVHXJMEKLZPR-IUCAKERBSA-N	234.296	-0.320	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COC[C@@H]1C	1990775253	TVHZYFYCDDOSMO-CBAPKCEASA-N	229.280	-0.880	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CC=CC[C@H]21	1990777282	XUPFRNPKCXETEN-VHSXEESVSA-N	223.276	-0.196	50	10	BBGE	
O=C(CN1CCNCC1=O)NC[C@@H]1C[C@H]1Cl	1991448423	GBZVWUYYBSAUOC-JGVFFNPUSA-N	245.710	-0.838	50	10	BBGE	
NC1(C(=O)O)CC(NC(=O)C=CC(=O)Cl)C1	1991654549	LXTPWQUZGSLFGS-UHFFFAOYSA-N	246.650	-0.631	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	1992141919	AHJORVHONMJVPH-XSJBAMTNSA-N	219.049	-0.980	50	10	BBGE	
O=C(C[C@H]1CCCCO1)NCC#CB(O)O	1992146153	RDADOIPOMJWHCY-SECBINFHSA-N	225.053	-0.923	50	10	BBGE	
COCCOC[C@@H]1CCN([C@H](C)C(=O)NN)C1	1996914459	NTSDEASJHJBZEH-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1C[C@H]2C[C@@H]2C1	1998126354	RSBXKABSZABSMA-ATRFCDNQSA-N	241.052	-0.925	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H](CO)CN(CC(=O)NN)C1	2000769624	VXJCCTYIDBGHNO-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@]1(C)CO	2003268015	LWZWAYKDZGQJAR-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
CCCN(CC(=O)NN)[C@@H]1CCCCNC1=O	2004293530	UZWBCBMLTYNDQR-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](n2cncn2)C1	2004327587	PJOQSVZXLZDZQN-DTWKUNHWSA-N	238.295	-0.707	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]3C[C@H]3C2)c1B(O)O	2004918332	KJANYVSEALITLH-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC(F)(F)C1	2004918797	QDVVNEMJDHCASL-UHFFFAOYSA-N	243.022	-0.610	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(CCN(C)C)C1	2007723075	VBUNPIWECGRLPP-LLVKDONJSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3(COC3)C2)C1	2010833200	PIZXIAFJBLDTSX-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
CC1(COCCn2cc(C(=O)NN)nn2)CC1	2011898112	HDTDXTPCTFWILJ-UHFFFAOYSA-N	239.279	-0.302	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2[C@@H](C(=O)NN)C(C)(C)C	2014271531	ZPXOFNMIUCECAO-AEJSXWLSSA-N	240.351	-0.221	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COC[C@@H](C2)C1	2015194574	NWTUEIUBWWCQQK-NAKRPEOUSA-N	241.335	-0.031	50	10	BBGE	
Cn1nccc1C(=O)N[C@@H]1CCC=C1B(O)O	2020061168	FFPXCNMWEUKPML-MRVPVSSYSA-N	235.052	-0.749	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CCCC[C@H]21	2021156656	ASNBVMDVGXQRPU-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
Cc1ccn(C[C@]23C[C@](C(=O)NN)(CO2)C3)n1	2023847416	ULPZWKIHZSDMQO-XYPYZODXSA-N	236.275	-0.269	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)C1(C)COC1	2026723921	BEGPAQRBGAKIDN-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1[C@H]2CCC[C@H]21	2048416508	MYQXWJWHPBFQLH-DOFRTFSJSA-N	246.075	-0.254	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1cncnc1	2058407522	FDLTWVWNIYAGPZ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCOc1cc(B(O)O)c(F)c([N+](=O)[O-])c1	2060129111	FFMRWKPZAQBXNY-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1ccc(B(O)O)c(C=O)c1[N+](=O)[O-]	2060279052	OUDOSJOUKXKKSY-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
C=C(Cl)COc1cc(B(O)O)ccn1	2210061738	XWWWNDIILGDVCI-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2212601698	RUNUXCOHKGXQJF-HTQZYQBOSA-N	224.069	-0.403	50	10	BBGE	
C#C[C@@](C)(CC)Oc1ncc(B(O)O)cn1	2212605401	CWWOUUWMEQVGKW-JTQLQIEISA-N	220.037	-0.663	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCC[C@@H]2O)nc1	2212610446	IWRFEZNCECDNTD-BDAKNGLRSA-N	222.053	-0.913	50	10	BBGE	
OB(O)c1cnc(N2CCC=CCC2)nc1	2212611222	XEVWZOFYLZSWJN-UHFFFAOYSA-N	219.053	-0.687	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](O)C[C@H](F)C1	2215775489	HHRBCOZPMQIUST-AATLWQCWSA-N	245.298	-0.593	50	10	BBGE	
CC[C@H](N)C[C@@H](C)Oc1ncccc1B(O)O	2217171133	ATAMJFMAOUXUSW-BDAKNGLRSA-N	238.096	-0.344	50	10	BBGE	
COC[C@@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2217175457	JCZAZKXGHGOPTQ-BDAKNGLRSA-N	238.096	-0.156	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1Nc1ncccc1B(O)O	2217175986	QCCYMLNXGPRYHM-RKDXNWHRSA-N	236.080	-0.667	50	10	BBGE	
COC[C@@H]1CC[C@H]1Nc1ccc(B(O)O)cn1	2217180811	LBQLXZIHMFBDFJ-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cnn[nH]1	2217181699	TWMRZDGLCIYJNP-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
NC1CCC(Oc2ncccc2B(O)O)CC1	2217183091	FJOTUABBGDUULJ-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
OC[C@H]1CC[C@@H]1Nc1nccc(B(O)O)c1F	2217184385	SAULFMWXCKJGOH-SVRRBLITSA-N	240.043	-0.917	50	10	BBGE	
C[C@H]1C[C@H](Oc2nccc(B(O)O)c2F)CN1	2217187006	RSZWTQZVKYZIDI-BQBZGAKWSA-N	240.043	-0.970	50	10	BBGE	
Nc1ccc(COc2ccc(B(O)O)cn2)cc1	2223644112	DZILPZFLIRMEFJ-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
C#CCOCCN(C)c1cc(B(O)O)c(C)cn1	2223645882	ZMESQCJPRVODIN-UHFFFAOYSA-N	248.091	-0.844	50	10	BBGE	
N[C@@H]1CN(c2ccc(B(O)O)cn2)CC12CCC2	2223680042	XYUMAALYBOCUHB-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
OCCC1(O)CN(C[C@@H](O)CCl)C1	2241810386	COIHVALPEDAQPJ-ZETCQYMHSA-N	209.673	-0.985	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C[C@H]2CCCC[C@@H]21	2242738764	NINKZZNEFZDUDF-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
CCS[C@@H]1CCC[C@H]1NC(=O)C#CB(O)O	2243349158	GYMSGJPIEHWNSS-RKDXNWHRSA-N	241.121	-0.208	50	10	BBGE	
CC(C)[C@H]1CC[C@H](NC(=O)C#CB(O)O)C1	2243356505	IOJIGHHGGSDKIW-UWVGGRQHSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C=CCCCC1	2243357025	QFCMOTGRCGXLMO-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
C[C@@]1(N)CCCN(C(=O)C2(B(O)O)CC2)C1	2243363256	CYEMPCSAKWFQQD-SECBINFHSA-N	226.085	-0.667	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CN1	2243365980	VQSTZJZFXXKUHV-HTQZYQBOSA-N	226.085	-0.750	50	10	BBGE	
O=C(NCCF)c1cccc(B(O)O)c1F	2243366927	KTJVNKUPLWSPGM-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
O=C(NCCNC1CC1)C1CC(B(O)O)C1	2243392152	RTKSGXFUUUNZDC-UHFFFAOYSA-N	226.085	-0.892	50	10	BBGE	
C[C@H](O)[C@H]1CCN1C(=O)C1CC(B(O)O)C1	2243396430	MBEZODUWMOHUFK-DFAZKQQPSA-N	227.069	-0.779	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2243400054	VDJXRZNPHPAPON-SSDOTTSWSA-N	224.069	-0.530	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccoc1B(O)O	2243400944	JZRSPUTYNRDCOK-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
CCN(C(=O)C#CB(O)O)C1CCOCC1	2243401561	SXXCOGCQEDNBOZ-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@H]2C[C@H]21)B(O)O	2243432469	AKHFEVZEXSXAML-DTWKUNHWSA-N	245.109	-0.631	50	10	BBGE	
C=C(CS(=O)(=O)N(CC)C1CCC1)B(O)O	2243433935	RTAURYXTDBQUIX-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
Cc1nc(N(C)[C@@H](C)CF)ncc1B(O)O	2244149520	KZWHFTYDTMNRJQ-LURJTMIESA-N	227.048	-0.741	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ccnnc1	2245393306	HVSUVVMVOMEOOK-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CCC1)N(C)C	2247734017	QQICLCRSECIIQU-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2C[C@H]2C1	2247737781	JTNHFPDQNOMSIO-YUMQZZPRSA-N	234.064	-0.824	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CC[C@H](O)CC1	2247753301	FDNAAEMZSHEYNT-KYZUINATSA-N	241.096	-0.245	50	10	BBGE	
CC(C)(C)[C@@H](CCO)NC(=O)C1(B(O)O)CC1	2247758278	UTVYCELASMSDLM-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]1C1CC1)C1(B(O)O)CC1	2247762990	LFCUCAMARIKGIU-DTWKUNHWSA-N	238.096	-0.750	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@]2(O)C[C@@H]2C1	2247786768	GHSQFGQAASWUNZ-REIXXSIJSA-N	239.080	-0.777	50	10	BBGE	
CCC[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247797901	OFNPOQMPLVJWIC-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)c1cnn[nH]1	2247804597	HWBPNFZFNGGVOG-GRQBKTHUSA-N	238.056	-0.765	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CC2	2247807087	HFVNZPJDLRWDSS-HRDYMLBCSA-N	239.080	-0.513	50	10	BBGE	
NC[C@@H]1CCCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247808430	KWYYUNHVNUAXMV-GUBZILKMSA-N	240.112	-0.563	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2CNC[C@H]1C2	2247809495	PQEQAOAVHKDXAD-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
CCC[C@@H](NC(=O)C1CC(B(O)O)C1)C(N)=O	2247809677	QLPLVRFKWMFZIS-KAVNDROISA-N	242.084	-0.990	50	10	BBGE	
CC1(C)OCCC[C@@H]1CNC(=O)C#CB(O)O	2247848258	JHWLCAXOTIGJQD-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
CC1(C)COCC[C@@H]1CNC(=O)C#CB(O)O	2247850992	VDNGDIAVTMMRNY-SECBINFHSA-N	239.080	-0.819	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247869801	YRQGDIZYSDNKHW-SFYZADRCSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccncc1B(O)O	2247871952	KAQJSAREJDHFDD-GMSGAONNSA-N	234.064	-0.758	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247873750	FZWQSNOQRFVXII-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C1CCNCC1	2247879210	RKEQFKLESBJNKS-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
N[C@@H]1CC12CC(NC(=O)C1(B(O)O)CCC1)C2	2247879645	WRAKYBOEHYPIDY-CCNFQMFXSA-N	238.096	-0.621	50	10	BBGE	
CCCN(C(=O)c1occc1B(O)O)C1CC1	2247879649	WTBMPBIFBWLKIS-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@@]1(CO)C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896968	MHIMHJNHTKEVJR-QXEWZRGKSA-N	239.080	-0.611	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2247899695	PLFLQTPSYAJDBD-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2COC[C@@H](C2)C1	2247900406	WMNPTPYQCLAYPQ-AATLWQCWSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)C1CC(B(O)O)C1	2247909236	GZPXQKPJGVHOAO-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248573336	CNFRQPKILSNZJD-FWWHASMVSA-N	243.068	-0.391	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2254598505	ZLHHMCHMIZPGIK-DTORHVGOSA-N	248.091	-0.384	50	10	BBGE	
CCCN(Cc1ccnn1C)C(=O)C#CB(O)O	2255469205	LXCOTAXYDCLDEM-UHFFFAOYSA-N	249.079	-0.826	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)c1ncc[nH]1	2255488867	KWTIGBOGEGSIEW-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=CC1(NC(=O)c2ccc(F)c(B(O)O)c2)CC1	2255499466	ASEAVISWKGWXNE-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1B(O)O	2255511761	ONKHNRLWRRPPBW-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
C#CCCCNC(=O)c1cccc(B(O)O)c1C	2255515290	VPIXSKARIOUGJF-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccc(B(O)O)cn1	2255521945	CVIRUFUSNSQTBA-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
Cc1ccc(NC(=O)c2n[nH]cc2B(O)O)cn1	2255550167	WEUIQOPZABIGKS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CCC[C@@H]21	2255690869	IQSFPBKCLFQUJI-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1cncc(B(O)O)c1	2255710233	HWWOVNRPLXPRTL-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255710401	KEYFCVSNTLICHK-JTQLQIEISA-N	248.091	-0.320	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H](C)CC#N)c(B(O)O)c1	2255790007	QOHFFUYURBWUTK-QMMMGPOBSA-N	247.063	-0.898	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ncc(C)cc1B(O)O	2255792547	JJYNMFHXLJUVBQ-UHFFFAOYSA-N	248.091	-0.236	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1cc(B(O)O)co1	2258138665	MVJYAJWNABXVJL-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2CC[C@@H]2C1=O	2298165914	GDCYJODMRJMQHE-JLIMGVALSA-N	237.303	-0.129	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298368965	DQIQWUNKQVLYOM-KYXWUPHJSA-N	240.112	-0.375	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2299249777	PNWQTTMVRCBOTA-QCLAVDOMSA-N	239.080	-0.613	50	10	BBGE	
C#CCN(OC)c1ccc(B(O)O)cc1C#N	2301345444	FTSBCNLCPBSOHF-UHFFFAOYSA-N	230.032	-0.761	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(F)cc1B(O)O	2301586107	PVLULYBTMJDICA-VIFPVBQESA-N	241.027	-0.785	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@@H]1COC[C@H]1O	2302018607	RWOCOFIJDLPJFA-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](O)[C@@H](F)C1	2302021335	YNCUVGSQMMWJRP-UTLUCORTSA-N	247.314	-0.060	50	10	BBGE	
Cc1nnc(CCCN2CC[C@H](B(O)O)C2)o1	2303106963	VOZVJEMOVBDYQG-VIFPVBQESA-N	239.084	-0.141	50	10	BBGE	
CN1CCC[C@@H](CN2CC[C@@H](B(O)O)C2)C1=O	2303107100	WKWDCMKCJIFURJ-VHSXEESVSA-N	240.112	-0.597	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cc1C#N)[C@H](C)O	2317152066	XXUKTESXLVWOQW-KWQFWETISA-N	248.091	-0.191	50	10	BBGE	
CO[C@H]1CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317349013	VQOYWUWHTCHYAU-NSHDSACASA-N	249.075	-0.596	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNC[C@H](C)O	2324514758	LRPOGSVOTDGAGQ-QMMMGPOBSA-N	211.265	-0.111	50	10	BBGE	
C[C@H](NC=C(C#N)C(=O)NCCCl)C(=O)O	2325269390	QCLWRMUUMJUMIT-LURJTMIESA-N	245.666	-0.188	50	10	BBGE	
CCN(CCN(C)C)[C@@H](C)CC(=O)NN	58839394	AYWWKWMVQZDDJE-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
CC(C)(C)OC(=O)N/N=C/[C@H](O)CO	59382603	RPUOROCHMMCBQK-UYHMVEIHSA-N	204.226	-0.150	50	10	BBGE	
N#CCC(=O)N/N=C/C=N/NC(=O)CC#N	59502076	LVARAQCLEMEDEF-YDWXAUTNSA-N	220.192	-0.982	50	10	BBGE	
C[C@H](CN(CCC#N)C1CC1)C(=O)NN	82469948	HWFVKAQNTLHRLR-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
CCS(=O)(=O)N1CCOC[C@@H]1N=C=O	83877882	FSUXYPXPBTZXAM-SSDOTTSWSA-N	220.250	-0.670	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)CC1	86313293	VMWQONBHGQILQA-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](Sc1nnc(N)n1C)[C@H](C)C(=O)NN	86314124	RDDWTRMPCLZHAB-WHFBIAKZSA-N	244.324	-0.496	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@@H](C)[C@@H](C)C(=O)NN	93072063	KWAHRCZDMASDAY-BDAKNGLRSA-N	244.339	-0.556	50	10	BBGE	
CC1=C(C#N)C(=O)NC(=O)/C1=C/Nn1cnnc1	100101186	RYOLRYOTZZYNOJ-FPYGCLRLSA-N	244.214	-0.798	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(c2ccccn2)CC1	110570845	SFKUEKKUSXYFGF-SNVBAGLBSA-N	249.318	-0.418	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C(C)(C)CO	134190232	VJHRORSMMKBHKI-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CN(C)CCNC(=O)C(=O)NCCCl	170359822	PFZQDQQXQNHBOF-UHFFFAOYSA-N	221.688	-0.981	50	10	BBGE	
CN1CCCN(CC(C)(C)C(=O)NN)CC1=O	229087014	PFCHHJGZGOFNEZ-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383947	NHMOXIQBZGKEGC-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1cccc(Cn2cccn2)n1	236255185	IMOYRKDTSBXXBG-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
Nc1ccc(B(O)O)c(Br)n1	238573367	SFLMITIJWZUXEZ-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
NC(=O)NN[C@@H](C(=O)O)c1ccccc1	238590585	HLOPITZDJXBMTL-SSDOTTSWSA-N	209.205	-0.015	50	10	BBGE	
O=CCC(=O)c1cccc(B(O)O)c1F	238625545	FPWSGWQEWSYRKW-UHFFFAOYSA-N	209.969	-0.723	50	10	BBGE	
C=CCN(C)C(=O)NNC(=O)[C@@H]1COCCO1	275034315	TXKADUCCMZJWNY-QMMMGPOBSA-N	243.263	-0.740	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1CCCC(=O)NN	309778881	KCMKNRGVKXLTRF-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(C)(OC)CC1	310300441	UEXMTVYQYJYUIP-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
Cc1ccc2c(=NC3CC3)[nH]oc2c1B(O)O	382739268	CMJGKMDAZTUVQZ-UHFFFAOYSA-N	232.048	-0.188	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1ccc(C(=O)NN)o1	385027254	ZJLFALNBACCPQR-YUMQZZPRSA-N	239.275	-0.162	50	10	BBGE	
N#Cc1cc2c(CO)ccc(B(O)O)c2s1	396227859	TZGGXRNLQDYRQA-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1c(O)cc2sccc2c1B(O)O	396337123	GXDNMHQBMMYCAY-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
NNC(=O)CCCCN1C2COCC1COC2	399938436	SNLTZTXNMYRXQS-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(CC(=O)NN)C1	687214058	XWERLVRZSMLMSV-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CO)CN(C)CCC(C)(C)C(=O)NN	688403258	XKVCCFSGZIWZOD-VIFPVBQESA-N	231.340	-0.047	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]([C@H](C)O)C1	688961853	VIFBTJPBGMVUNR-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CN(Cc1cn(C)nn1)C[C@H](O)CCl	689182828	BVRCEUVECVPABC-MRVPVSSYSA-N	218.688	-0.153	50	10	BBGE	
CCN([C@@H]1CCN(C)C1)[C@H](C)C(=O)NN	693436725	KQJYLSQQGJIVAA-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C#N)C1	693988266	XFWLGDSMFBXUCM-YIZRAAEISA-N	210.281	-0.154	50	10	BBGE	
COC[C@H]1CCCN1C[C@H](C)C(=O)NN	702767037	NTWGWVXARIDWHB-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
O=C(NC1CC1)N1CCc2c(B(O)O)cccc21	712147094	RGTSLYPISBTVKA-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696402	CHZWZWJPFAZYGM-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CC(=O)NNC(=O)Cc1cn(C)nc1Cl	814361307	UQPGDTLRCMEFOR-UHFFFAOYSA-N	230.655	-0.217	50	10	BBGE	
O=C(CO)NN=Cc1cc2n(n1)CCCC2	848406322	BSELIPRTUXUQJQ-UHFFFAOYSA-N	222.248	-0.338	50	10	BBGE	
C[C@H](Cc1ccco1)C(=O)NNC(=O)CO	857169563	IPAAALPEWSTKBK-SSDOTTSWSA-N	226.232	-0.402	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H](O)/C=C/C	899939546	SRVSJHADDSUGDO-OHCKJTPYSA-N	229.305	-0.395	50	10	BBGE	
CC(=O)NNC(=O)C[C@@H]1COC(=O)C1	1136046045	LZYJWOBSTPPVEH-LURJTMIESA-N	200.194	-0.893	50	10	BBGE	
CCOC(=O)[C@@H](CC)C(=O)NNC(=O)NC	1136378283	DWLXCNXRUBQDOM-LURJTMIESA-N	231.252	-0.464	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)Cc1cc[nH]n1	1144931776	LSELOFAVOFMTLN-UHFFFAOYSA-N	232.243	-0.487	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)C2(O)CCC2)CCCO1	1324524997	VJOOOMMJZXGUQC-JTQLQIEISA-N	242.275	-0.382	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ccc(O)nn1	1442570790	PKRCYCRRQQSXMA-UHFFFAOYSA-N	239.235	-0.465	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1ccncc1	1540409937	XSKSDTLLFUBNHT-XADBCAIWSA-N	235.243	-0.220	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2cccnn2)[nH]1	1546084505	KRHBSZMQSYOFRY-UHFFFAOYSA-N	246.230	-0.340	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1cc[nH]n1	1584327234	QSYDMDHGYUVUKZ-VIFPVBQESA-N	224.220	-0.892	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNc2nc[nH]n2)CCN1	1648831945	RRPGXYWFOMMTTF-ZCFIWIBFSA-N	238.251	-0.836	50	10	BBGE	
CN(O)S(=O)(=O)CCOCCCl	1881215449	RIXOVMGBYQGBNE-UHFFFAOYSA-N	217.674	-0.107	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@@H]2Cl)CCN1	1883634957	QHYLIMVSUVBNHG-WDSKDSINSA-N	202.641	-0.428	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)C(=O)O	1883646793	DLGBBGXWNRDHHW-FSSWKIGTSA-N	205.597	-0.103	50	10	BBGE	
O=C(F)NCC[C@H]1CNCCS1(=O)=O	1887185823	DUYOZYFAFWLZIG-LURJTMIESA-N	224.257	-0.558	50	10	BBGE	
C[C@H](CO[C@@]1(C)CCOC1)C(=O)NN	1888721177	KVRWSFBCKOKACZ-APPZFPTMSA-N	202.254	-0.192	50	10	BBGE	
CO[C@@]1(CN=C=O)CCCS(=O)(=O)C1	1891541394	VOZDNURZVKKMHZ-MRVPVSSYSA-N	219.262	-0.084	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475366	SPYPTWIYZWTHMQ-BXKVDMCESA-N	221.640	-0.436	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@H]1CCN1C	1896236640	GVGLOFAGSIHLIP-IVZWLZJFSA-N	226.324	-0.752	50	10	BBGE	
Cc1nnsc1CN(C)C[C@@H](C)C(=O)NN	1899834294	VFQBGLNXFUMTDV-ZCFIWIBFSA-N	243.336	-0.096	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	1902404857	OPHYYYZRXSZWSJ-SSDOTTSWSA-N	218.021	-0.724	50	10	BBGE	
O=C1NCCCC[C@H]1N1CC[C@@H](B(O)O)C1	1902506955	YYMVCQIUQLTMDR-RKDXNWHRSA-N	226.085	-0.796	50	10	BBGE	
NNC(=O)CN1C[C@H]2CC(CO)C[C@@H](C2)C1	1902527962	SCPUSYNQOQQMNX-RKDXNWHRSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](O)[C@H]1C(F)(F)F	1903052558	ZAIPIKGSUZAVDH-VDTYLAMSSA-N	241.213	-0.636	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2[C@@H](C1=O)C2(C)C	1905535133	SZWBGBCYDQRZNT-APQOSEDMSA-N	239.275	-0.604	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	1907072437	KGBBGOQWTHYIPE-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1(CO)CCC1	1915005410	YZAJNOANRHDOMT-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
N#CC1=CCN(C(=O)NOCC(=O)O)CC1	1917046189	FVVVMFQEZRFRJV-UHFFFAOYSA-N	225.204	-0.132	50	10	BBGE	
N#CC1=CCN(C(=O)Cn2ccnn2)CC1	1917068817	AOLXAXYMKSGGAY-UHFFFAOYSA-N	217.232	-0.040	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@H]2C1	1927816331	LMHJTXCDNVOGAO-RQJHMYQMSA-N	219.235	-0.047	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CN(C)C[C@@H]1O	1928757550	FXLBYCJQNSBCGC-CSMHCCOUSA-N	220.700	-0.348	50	10	BBGE	
CO[C@@H](C)Oc1cnc(C)c(B(O)O)c1	1929644332	HMRKDQCWWAGIKO-SSDOTTSWSA-N	211.026	-0.559	50	10	BBGE	
O=C(NNCCO)[C@@H]1Cc2ccccc21	1929835965	APELTJBUZPNFII-SNVBAGLBSA-N	206.245	-0.061	50	10	BBGE	
O=C(CCl)N1CC[C@H]2CS(=O)(=O)C[C@H]21	1931357630	MMPZUYSLLBINSH-NKWVEPMBSA-N	237.708	-0.129	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@@H](O)CCO1	1933453138	GCHWWJHLNQQTSU-BQBZGAKWSA-N	243.712	-0.358	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@@H]2C[C@@H]21	1934311926	OJACLTUEKHSZTD-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@@H](C)C(=O)NN)C1	1934917735	NBDBCYDBWJIGHQ-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CN(C)NC(=O)NCc1nc(C(=O)O)co1	1938689600	XHNOAWSEMGJPHD-UHFFFAOYSA-N	228.208	-0.351	50	10	BBGE	
CCCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941088020	OIVLSSQZOQILGJ-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
C[C@@H]1C(=O)N(CCOCC(=O)NN)[C@H](C)[C@@H]1C	1941772708	NBPQALZZHGVUIU-HRDYMLBCSA-N	243.307	-0.504	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@@H]1CO	1944079924	JUUUMAVSHUOKBI-SNVBAGLBSA-N	235.287	-0.143	50	10	BBGE	
CC[C@@H]1COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1948698063	YRHXREZYEBRMNQ-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
Cc1c(B(O)O)cc([N+](=O)[O-])cc1C(=O)O	1951321206	DDHWWTKATJYPSJ-UHFFFAOYSA-N	224.965	-0.719	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1[C@@H]2[C@H]1CCC2(F)F	1961392783	ZMZGLPCZNLPLPZ-MROZADKFSA-N	219.191	-0.864	50	10	BBGE	
CC1(C)CCN1c1ncccc1B(O)O	1961696785	SVTOMSYTTGLESC-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCn2nnnc2C1	1974681933	UFBPLVCVNXBVTK-PHDIDXHHSA-N	229.671	-0.269	50	10	BBGE	
O=C1CN(C[C@@H]2OCC[C@@H]2F)CC(=O)O1	1975256845	NROBSBHZABYBCF-BQBZGAKWSA-N	217.196	-0.501	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(CCCC(=O)NN)C1	1976441976	SDGJLCUUSMHQBA-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC1(F)CN(c2ncc(B(O)O)cc2Cl)C1	1981469563	VBGASQKELRFPCX-UHFFFAOYSA-N	244.462	-0.037	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2C[C@H]21	1981471806	LAJUEFLODNDVQD-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
Cc1nc(N(C)[C@@H]2C[C@H]2C)ccc1B(O)O	1981529355	CMPZCDBRRDXDLS-GMSGAONNSA-N	220.081	-0.086	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@]1(C)COC	1982944327	LGNKHUMSPSMBME-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	1983561476	ZPVHLIFLOWZMER-XHNCKOQMSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H](CCCl)C(=O)N(CC(N)=O)CC(N)=O	1985796092	LNFMMKUQYYOJRB-LURJTMIESA-N	249.698	-0.949	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]1C(C)(C)O	1989117168	IAJKXMBHYOBVIZ-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CCC[C@H](C(=O)NN)O1	1990165059	UNBFFHWRFKAJMU-HTQZYQBOSA-N	249.336	-0.358	50	10	BBGE	
Cc1ccnc(C(=O)NCC=CB(O)O)c1	1991331818	PVHUXACDPJMZQV-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(N2CCNCC2)C1	1991680472	QRCSAOOKMBHUMX-ZJUUUORDSA-N	243.738	-0.270	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1NC(=O)/C=C/C(=O)Cl	1991714155	BXBOVCYPIWELRL-HENSLRDNSA-N	246.694	-0.247	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@](F)(CO)C1	1995937067	GESXSENPYNGISI-ONGXEEELSA-N	247.314	-0.059	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@]1(C)CO	2003269398	WGDBYDWYJZIFQX-QXEWZRGKSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cnc(N2[C@H]3CCC[C@@H]2CC3)nc1	2004911275	FDCJAHZCUQVZCI-AOOOYVTPSA-N	233.080	-0.322	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CCOC2)c(F)c1	2004930756	WHVWHNDUXYINIY-SSDOTTSWSA-N	241.027	-0.684	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@]3(C)C2)ncc1B(O)O	2004973284	RYMBZOZZNQJKHJ-KCJUWKMLSA-N	233.080	-0.689	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@@H]32)ncc1B(O)O	2004975476	ZHZNCMHBOIEITN-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)[C@@H](C)C2)n1	2005015262	YEBPITZBZATHNT-OCAPTIKFSA-N	235.096	-0.443	50	10	BBGE	
CC(C)(F)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	2005930599	NYNRFFGVFULRRF-QMMMGPOBSA-N	243.282	-0.061	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](N(C)C)C2	2006383125	YDZXCMYPNVKGBW-ZNSHCXBVSA-N	240.351	-0.078	50	10	BBGE	
CO[C@H]1COC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	2008125788	QURWANAGXQHLNK-JBDRJPRFSA-N	241.243	-0.683	50	10	BBGE	
NNC(=O)[C@H]1CC[C@](F)(CN2CC(O)C2)CC1	2008940133	IHQCDYYPJPOPJF-DKTWLAJQSA-N	245.298	-0.449	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)C(=O)NN)nnc1C	2013213661	PIZIUKASSYRHAL-VIFPVBQESA-N	237.307	-0.096	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]1C1(O)CC1	2013926463	LKBYFSFYRJXQMU-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
CC(C)OCCOc1ncc(F)cc1B(O)O	2014930582	WVOBMCSZDPSNGM-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
C=CC1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	2018851958	SLPXUKCDERSWPO-ZJUUUORDSA-N	239.319	-0.375	50	10	BBGE	
O=C(NCC#CB(O)O)C12CCC(CC1)OC2	2021125918	MZHJMNSDOBCAEJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CCC12COC(C(=O)NCC#CB(O)O)(C1)C2	2025057640	GDKGZFYRGATUBJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1Cc2cncnc2C1	2025620685	BZHGLAUGCWILHT-JTQLQIEISA-N	235.291	-0.049	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1ncc(B(O)O)cn1	2025753102	NYXIVYVACXQKKB-XVKPBYJWSA-N	239.059	-0.659	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(OCCCO)CC1	2026351087	JHIQFPMFVNFVDN-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CCN1CC[C@H](N(C)c2ccc(B(O)O)cn2)C1	2052466307	HGQJQRMAEKNIIJ-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc(C=O)c(F)cc1B(O)O	2060116953	KMHBEWXHZIFTDK-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1COC1COC1	2209907193	SDWVZYJHORIKCM-XPUUQOCRSA-N	200.238	-0.582	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2CCCC(=O)NN	2210374734	PTGHYPJBAPLJAH-NGZCFLSTSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCC[C@H]1O	2212610904	QVYMMADNOSTSED-DTWKUNHWSA-N	222.053	-0.913	50	10	BBGE	
CCC[C@H](N)CNc1cc(B(O)O)ccn1	2212610926	RIKDEWNOGKCPDG-VIFPVBQESA-N	223.085	-0.699	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CC[C@H]32)c1	2212611335	ZINWYGTZWCMIMP-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H]1C[C@@]2(C)O	2213354740	JSLALOXLBUXWDO-DSPMHBFJSA-N	241.335	-0.154	50	10	BBGE	
CNC[C@H](C)N(C)Cc1cccc(B(O)O)c1	2214596413	QCCWYCMBLORMCU-JTQLQIEISA-N	236.124	-0.594	50	10	BBGE	
C[C@H](CCO)N(C)Cc1cccc(B(O)O)c1	2214606379	VZEZHHBLMCXDOT-SNVBAGLBSA-N	237.108	-0.431	50	10	BBGE	
CC(=O)NCCN(C)C[C@@H]1CC[C@@H]1C(=O)NN	2215777701	URUXNOXHMWBMCS-UWVGGRQHSA-N	242.323	-0.930	50	10	BBGE	
C[C@]1(N)CCCN(c2ccc(B(O)O)cn2)C1	2217176070	QYYNUHKENAXOCV-NSHDSACASA-N	235.096	-0.921	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CCOCC1	2217176122	ROQUVTFDJHWUDB-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12COC[C@@H]1C2	2217176756	AAJKMDBFJMEXPK-GZMMTYOYSA-N	234.064	-0.790	50	10	BBGE	
Cc1cnc(NCc2cn[nH]c2)cc1B(O)O	2217179231	IHJVGHOJVZILCY-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCC[C@H]2O)c1	2217179347	JPOYMBXCKWBLHO-WCBMZHEXSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)[C@@H]1CCCO1	2217183895	LMRPBGNBMNOUSA-APPZFPTMSA-N	237.068	-0.864	50	10	BBGE	
C=CCC[C@@H](CO)Nc1cc(B(O)O)ccn1	2217198670	DYEHZCYHBRFZSD-JTQLQIEISA-N	236.080	-0.500	50	10	BBGE	
C#C[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217199459	MLSKPMAZCYDFHN-ONGXEEELSA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1cnc(N2CC=CC23CCC3)nc1	2217200722	LNQSSLZHTMGTAX-UHFFFAOYSA-N	231.064	-0.545	50	10	BBGE	
COC[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2217204275	HQCGENRHJRXPGE-DTORHVGOSA-N	236.080	-0.402	50	10	BBGE	
CO[C@H]1CC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	2220589541	UCJQCERQUKUAPG-QWRGUYRKSA-N	249.075	-0.270	50	10	BBGE	
OB(O)c1ccc(NC2C[C@@H]3COC[C@H]3C2)nc1	2223639511	RRKNBKAXAPLWFF-RKDXNWHRSA-N	248.091	-0.402	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@@H](N)C1	2223670027	RPPVHTFTDDFWHO-MNOVXSKESA-N	249.123	-0.533	50	10	BBGE	
N[C@H]1C[C@@H](Nc2ncccc2B(O)O)C12CCC2	2223671859	QPXJAWNFFLMFDH-VHSXEESVSA-N	247.107	-0.557	50	10	BBGE	
COC[C@@H](ON)C(=O)N[C@H]1C[C@H](Cl)C1	2241654505	YFTVTVWMFORNLK-FSDSQADBSA-N	222.672	-0.222	50	10	BBGE	
CCC[C@H](OC1(C)COC1)C(=O)NN	2242121964	KIVYPPOAGKNKKT-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
CCc1nn[nH]c1CNS(=O)(=O)CCl	2242277765	JRDRMIVUJWGJKU-UHFFFAOYSA-N	238.700	-0.017	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1coc(B(O)O)c1	2243349130	GRWRQXYCIWAYFZ-QMMMGPOBSA-N	221.021	-0.899	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2243362795	WPYQMZWSTUNVLX-LPBLVHEISA-N	228.991	-0.838	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381727	IXAXFHDBGDKGLT-HXFLIBJXSA-N	226.085	-0.813	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)[C@H]3C[C@H]3B(O)O)C[C@H]21	2243390950	DLIUDDCGIBKWAV-RBXMUDONSA-N	223.081	-0.036	50	10	BBGE	
CCCN(CCCO)C(=O)[C@H]1C[C@H]1B(O)O	2243391118	GPKVPMXXSIBXKY-DTWKUNHWSA-N	229.085	-0.530	50	10	BBGE	
O=C(NCCOC(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243395736	BHFDWPXCFMXYRR-WHFBIAKZSA-N	240.974	-0.498	50	10	BBGE	
CC[C@H](CCO)CNC(=O)[C@H]1C[C@H]1B(O)O	2243395917	DWKHAMKMHNBMRP-HRDYMLBCSA-N	229.085	-0.626	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1C[C@@H](O)C1	2243397323	YXVDMLHGXAEWQC-WZENYGAOSA-N	227.069	-0.779	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC2CC1C2	2243407677	XIUWVZGPAHOKHB-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1csc(B(O)O)c1	2243408449	NIBBMKSEYGFBGZ-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
CCC(O)(CC)CNC(=O)C1(B(O)O)CC1	2243411708	YTNZFCHVUUBORV-UHFFFAOYSA-N	229.085	-0.339	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@]1(C)C=CCC1)B(O)O	2243412583	PTBBOJRHTUQSGL-VIFPVBQESA-N	245.109	-0.417	50	10	BBGE	
NC[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427739	ZWTFAYPBRZEDIO-BGZDPUMWSA-N	226.085	-0.907	50	10	BBGE	
C=CCN(Cc1ccc(B(O)O)cc1)OC	2244259085	UYKOSYVDKHPTNM-UHFFFAOYSA-N	221.065	-0.084	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@@H]2C)n1	2247226129	HFICFRMYJCAQEM-QMMMGPOBSA-N	236.080	-0.241	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(CF)C1	2247721139	AFKVSKCWTUQNAR-UHFFFAOYSA-N	241.027	-0.691	50	10	BBGE	
CC=CCCNC(=O)c1ccncc1B(O)O	2247724415	YYDNDZLFOHDGNL-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247741668	CXLKVSZRNQYPJE-QMMMGPOBSA-N	236.080	-0.433	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)C[C@H](C)C1(F)F	2247746874	FOSLDBOLIYVUCT-YUMQZZPRSA-N	245.034	-0.249	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccoc1B(O)O	2247747199	KJBZXSJVHFOJGK-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cc(F)ccc1B(O)O	2247752217	KWDKKNHDYPWVRN-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
O=C(N1CC[C@@H]2CNC[C@@H]2C1)C1(B(O)O)CC1	2247753791	CPMCWEMTFJROPZ-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
CN1CCCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247757702	SAKWJTFDJUZCRG-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CC(C)c1cc(B(O)O)cc(C(=O)NC#N)c1	2247768435	RLLXOCZOXSOEHZ-UHFFFAOYSA-N	232.048	-0.299	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C(F)F	2247770334	ONRDAFCKRGOPNA-RXMQYKEDSA-N	244.006	-0.855	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cncc(B(O)O)c1	2247774731	BXVZZUADEKAVKL-SECBINFHSA-N	234.064	-0.710	50	10	BBGE	
CCc1ncncc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247797218	HHBGHULIHGPASB-BQBZGAKWSA-N	235.052	-0.160	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247799643	GHTNPODTDLUTGJ-JDDHQFAOSA-N	239.080	-0.921	50	10	BBGE	
CN(c1cnn(C)c1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809202	YGDDGLQGHSSVPT-ZKCHVHJHSA-N	237.068	-0.364	50	10	BBGE	
CO[C@H]1CC[C@H]1CCN(C)C(=O)C#CB(O)O	2247848115	HJLQKFDFYGUROS-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC1CCC1	2247854617	GABIHSOFHSIYIV-UHFFFAOYSA-N	236.080	-0.530	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H](C2)[C@H]1CO)C1(B(O)O)CC1	2247874103	ONTUZOJNPWGDCE-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1NCC2)[C@H]1C[C@@H]1B(O)O	2247886721	FRBFTFPUEYPUQQ-KBIXCLLPSA-N	238.096	-0.750	50	10	BBGE	
O=C1[C@H]2CC[C@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894905	LZIILFPTCUURJP-JBDRJPRFSA-N	237.064	-0.366	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898023	ZPFMXISUKFJCDY-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](C#N)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247900671	YTPXUNMFEHJLBZ-SZEHBUNVSA-N	236.080	0.000	50	10	BBGE	
O=C(NCC12CC(CN1)C2)C1CC(B(O)O)C1	2247901835	APQYFGYNVMWMNS-UHFFFAOYSA-N	238.096	-0.892	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249433170	ISHAISJDJJNECZ-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1cocc1B(O)O	2249434209	XDUKFSMRFHEARC-BWZBUEFSSA-N	237.064	-0.266	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@H](C)CN(C)C	2250914508	GPVYKMQCQADIIV-ZJUUUORDSA-N	240.112	-0.906	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)oc2C)C1	2251661952	LGFZPYMRYPEVKL-UHFFFAOYSA-N	235.048	-0.474	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(CCCC2)C1	2255462107	QIVYBAUALHNCST-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(NC(=O)C#CB(O)O)c1	2255468692	FHEJLJJKVIFXHS-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CCCC[C@@H]21	2255481071	BXIHJMZHLUYEHI-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2255570827	JMBMZHBCZWZGTE-IEBDPFPHSA-N	248.091	-0.008	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3CC[C@H]32)oc1B(O)O	2255682042	AULPCRXCORCKGG-RKDXNWHRSA-N	249.075	-0.108	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1ncccc1B(O)O	2255710688	ODNIZMMIMNAHKZ-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ncccc1B(O)O	2255710689	ODNIZMMIMNAHKZ-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
C#CCN(C(=O)c1ccoc1B(O)O)C1CCC1	2255715082	AICXDRNMOWCDGW-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2255716943	VYCJWNWTJRIPEB-MRTMQBJTSA-N	248.091	-0.464	50	10	BBGE	
CC=CC=CC(=O)Nc1ncc(B(O)O)c(C)n1	2256600451	JJOKBHXEGCNDSV-UHFFFAOYSA-N	247.063	-0.464	50	10	BBGE	
CC#CCC(=O)Nc1ccc(B(O)O)cc1OC	2256673111	PZNOFTOFSIRIQT-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](Nc1ncccc1B(O)O)C2	2258427274	JXEGLFBKRQQKTI-SCVCMEIPSA-N	248.091	-0.259	50	10	BBGE	
CN(Cc1ccnnc1)C[C@@H]1CC[C@H]1C(=O)NN	2261219336	FICAMGBCCWQSDN-WDEREUQCSA-N	249.318	-0.076	50	10	BBGE	
O=C(Nc1ncco1)c1cc(B(O)O)ccc1O	2263403253	VXSYFMSWGIEPDB-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1C(=O)O	2298463407	BAEHSUDMQOCRAI-CWKFCGSDSA-N	241.052	-0.972	50	10	BBGE	
CC(C)N1[C@H]2CC[C@H]1CN(CCC(=O)NN)C2	2299130964	COZDVTOQABCMJK-QWRGUYRKSA-N	240.351	-0.077	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299945701	MGLVCSSRESWVSK-FOGDFJRCSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2301346185	OBAFFSARSGGBDJ-WDEREUQCSA-N	232.048	-0.563	50	10	BBGE	
CC(C)N1CCN(CC2(C(=O)NN)CC2)C1=O	2301465994	DERVYHANHWZMEC-UHFFFAOYSA-N	240.307	-0.098	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	2302404454	YTNVOBIBONPIQL-YTWAJWBKSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303112375	RLYGYDPGIOMFGC-FXPVBKGRSA-N	241.096	-0.266	50	10	BBGE	
OB(O)c1cc(N2C[C@H](F)[C@H](F)C2)ncc1F	2303834176	AZEZQZAYOIAAIS-OCAPTIKFSA-N	245.997	-0.603	50	10	BBGE	
CN1CC[C@H]1COc1ccc(C=O)c(B(O)O)c1	2317312882	OBLKPWOHPRRIBA-JTQLQIEISA-N	249.075	-0.738	50	10	BBGE	
CCCCNC(=O)C(C#N)=CNCCO	2318455608	XKTKSWIFNINEOQ-UHFFFAOYSA-N	211.265	-0.108	50	10	BBGE	
CCN(CC(=O)NC(C)C)C(=O)NN	42389627	UYCYWHGOUCTGPR-UHFFFAOYSA-N	202.258	-0.584	50	10	BBGE	
CC(C)C(=O)NNC(=O)C1CCNCC1	49815370	XTPHHPQXOLWVNS-UHFFFAOYSA-N	213.281	-0.211	50	10	BBGE	
CCN1CCN(CC(=O)NN)C[C@@H]1C	82485325	PALMMZGNIRQOEA-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CNC(=O)CN(C)S(=O)(=O)CCl	82511869	BZNPKMTVMXGUOT-UHFFFAOYSA-N	214.674	-0.810	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CC#N)CC#N	86313325	QNOOHLRADSCPOV-SFYZADRCSA-N	209.253	-0.650	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@H](N)C2)cc1	97812245	CJLOSQWUGKLFNA-LBPRGKRZSA-N	248.330	-0.248	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC2CCOCC2)O1	104111516	AIRKJDQPVOLDFA-ZJUUUORDSA-N	244.291	-0.281	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N1CC(=O)OC(=O)C1	111217898	IWOKUHFVYFIIEA-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCOC[C@@H]1C(N)=O	129323683	FZIUPXBZBYWIPW-RNFRBKRXSA-N	234.683	-0.426	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@@H](O)CCl)cc1[N+](=O)[O-]	163069930	YVJAKLLQJWAMKI-BYPYZUCNSA-N	249.610	-0.956	50	10	BBGE	
OB(O)c1cncc(OCC2CCOCC2)c1	203524679	XUFZRZPIQGUXPB-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CCn1ncnc1COc1ccccc1B(O)O	203555431	REUSINNEDKTDPJ-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	210346530	YZYFOKXDBHHJLB-BDAKNGLRSA-N	228.101	-0.637	50	10	BBGE	
O=c1ccncn1Cc1cc(F)cc(B(O)O)c1	211653676	YCSXQZCJZFKFMZ-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1CO	251208462	JAAQHUDNSOWOSV-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](C)[C@H](C)C(=O)NN	252615202	YTXXCSHJPJJNIM-IUCAKERBSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H](C)CO	252813899	SEKZOANHLVRSMW-BIIVOSGPSA-N	203.286	-0.687	50	10	BBGE	
COc1ccc([C@@H](N)C(=O)NN)c(OC)c1	259032901	ROCNOVDXKJGNNT-SECBINFHSA-N	225.248	-0.307	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@H]1O	299915339	RGWUFWBNTGHULF-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CN1CC[C@H](C(F)(F)F)C1	306803811	WJZVTCBFXAEFFR-YFKPBYRVSA-N	211.187	-0.140	50	10	BBGE	
COC(=O)[C@H](CS)NC(=O)CCl	307872678	SZLGTZPHHKUDHY-BYPYZUCNSA-N	211.670	-0.187	50	10	BBGE	
CS(=O)(=O)n1cc(B(O)O)c2ccccc21	309191795	JHPUTZSQRZZRDF-UHFFFAOYSA-N	239.061	-0.871	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@@H]1CC[C@@H](C(=O)NN)O1	390804755	XSMFQGPSAODKRS-VGMNWLOBSA-N	241.291	-0.465	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@H](O)C2)n1	393176427	IYLPFBQRQYFKIG-LURJTMIESA-N	242.304	-0.687	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1[N+](=O)[O-]	396054946	JRCIFVIHBXGTOC-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
Nc1sc2cc(C(=O)O)ccc2c1B(O)O	396240134	KDVHFOGOKJRFPX-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCN([C@H]1CCCOC1)[C@@H](COC)C(=O)NN	402693459	MJCHFHPIRSBMCO-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cn[nH]c1	405067744	WYRINIMNHLMKEG-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
O=S(=O)(CCl)N1CC2CC1(CO)C2	642831864	DYBBCUAPWOQZQN-UHFFFAOYSA-N	225.697	-0.031	50	10	BBGE	
CCS(=O)(=O)NCC[S@@](=O)Cl	675070816	DDACDBQTYHSEDM-SNVBAGLBSA-N	219.715	-0.172	50	10	BBGE	
CN1CCN(C(=O)OCCl)C[C@@H]1CO	687590626	OHETYLJSTZPDIW-SSDOTTSWSA-N	222.672	-0.072	50	10	BBGE	
C[C@@H](CO)CN(C)[C@H](C(=O)NN)C(C)(C)C	688406493	XYUGMTBPOBZGTM-RKDXNWHRSA-N	231.340	-0.049	50	10	BBGE	
CCN(CCS(C)(=O)=O)C[C@@H](O)CCl	688531669	NNLVMQIGLBQKEK-QMMMGPOBSA-N	243.756	-0.047	50	10	BBGE	
CCN(CC)C1CN(CC(=O)NN)C1	697803368	FVILETXVKBSAGR-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)C(=O)N1CCCC2(CC1)CC2	702615064	BRVJHLAWFIAKEE-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1CCOC[C@H]1Cl	706685140	LELQZCGUDRKJGW-RNFRBKRXSA-N	242.728	-0.221	50	10	BBGE	
CN(C(=O)CBr)[C@H]1COC[C@H]1O	709112212	XPBYAJCXVKVVBA-NTSWFWBYSA-N	238.081	-0.401	50	10	BBGE	
CN(C)NC(=O)[C@@H](C(N)=S)C1CC1	709350531	XUYIKIMZRAPKOX-ZCFIWIBFSA-N	201.295	-0.109	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@H](C1=O)C2(F)F	715550979	SQZJTRKGUUIGHF-INEUFUBQSA-N	219.191	-0.910	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC([C@@H](C)O)C1	719807373	NHAISRNLLYUZOU-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCCl)NCCN1CCNC1=O	722407356	XSNKARFTIZOODF-UHFFFAOYSA-N	219.672	-0.243	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN2CCC1CC2	722806987	VONCTRXHYUCZOV-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)OC(=O)C1COC1	785760065	AMAALHOYOVCFGP-LURJTMIESA-N	244.247	-0.878	50	10	BBGE	
Nc1ncc(C=NNC(=O)[C@H]2CCCO2)cn1	814240874	ZUWKLHRNIXKRPV-MRVPVSSYSA-N	235.247	-0.312	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)c1cn(C)nn1	869226358	NVSSGYCLWOHKPT-GQCTYLIASA-N	241.226	-0.161	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@@]1(O)CCOC1	1141753781	SBFFFLZRUNMOOK-SNVBAGLBSA-N	230.264	-0.669	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COC[C@@H]1F	1260939092	JWWSSOCCDNOQTM-CRCLSJGQSA-N	217.649	-0.161	50	10	BBGE	
COCCN(C)NC(=O)CC1(O)CCC1	1449367756	ILOPFBYYIJIJBH-UHFFFAOYSA-N	216.281	-0.099	50	10	BBGE	
CCCC(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1455578896	ZYJHPMZCMMFLRH-UHFFFAOYSA-N	248.246	-0.134	50	10	BBGE	
CC(=O)N[C@@](C)(C(=O)NN(C)C(N)=O)C(C)C	1466167716	MNOLMZAFQJLTQK-SNVBAGLBSA-N	244.295	-0.421	50	10	BBGE	
O=C(NNC(=O)C1CC(F)(F)C1)c1cnn[nH]1	1565634807	IWGVODCSRSKYIV-UHFFFAOYSA-N	245.189	-0.389	50	10	BBGE	
CN(NC(=O)c1ccc(C(N)=O)o1)C(N)=O	1596547249	SDPMVTXCQCRHGS-UHFFFAOYSA-N	226.192	-0.966	50	10	BBGE	
COCC#CC(=O)NNc1cccnn1	1597260545	PMLFIIDIWAQRPA-UHFFFAOYSA-N	206.205	-0.431	50	10	BBGE	
NCc1nnnn1C[C@@H]1C[C@@H]1Br	1877389429	ITUQAMUAMTZQRG-WHFBIAKZSA-N	232.085	-0.085	50	10	BBGE	
CC(C)(C)OC(=O)N(O)CCC(=O)NN	1879944765	FEWDLZKISZVGTI-UHFFFAOYSA-N	219.241	-0.007	50	10	BBGE	
O=S(=O)(CBr)NOCCO	1880073411	KRZFOAJHOCPNAI-UHFFFAOYSA-N	234.071	-0.818	50	10	BBGE	
NCCOCC(=O)NC1CC(Cl)C1	1881718009	AQHLFTOFJPUUFB-UHFFFAOYSA-N	206.673	-0.152	50	10	BBGE	
C#C[C@H](CO)NC(=O)C=CC(=O)Cl	1883627452	VDWJLYIRVZYRLT-ZCFIWIBFSA-N	201.609	-0.582	50	10	BBGE	
CO[C@H]1C[C@@](CO)(NC(=O)CCl)C1	1883772054	ZBIDHZMBRNMVBQ-WRXNHJIOSA-N	207.657	-0.119	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1CF	1886121891	HKEXHQWCIYTMKY-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
CCOCCSc1nc(B(O)O)cs1	1886268322	SXYHRYRQHRLRJX-UHFFFAOYSA-N	233.123	-0.049	50	10	BBGE	
O=C(F)NCCN1CCS(=O)(=O)CC1	1887173330	KXXVRVRZBQJJTR-UHFFFAOYSA-N	224.257	-0.604	50	10	BBGE	
CC[C@H](O)CN1CC[C@@](C)(B(O)O)C1	1891586363	SENYLLYCXJNISP-DTWKUNHWSA-N	201.075	-0.304	50	10	BBGE	
CN(C)CC1(O)CN(C(=O)CCl)C1	1892488804	QVVXHJNBMSWFHG-UHFFFAOYSA-N	206.673	-0.640	50	10	BBGE	
O=C1NCC[C@H]1CNS(=O)(=O)CCCl	1892875637	AFXBAZOZJUJIQT-LURJTMIESA-N	240.712	-0.719	50	10	BBGE	
O=S1(=O)C[C@@H](NC[C@H]2C[C@@H]2Cl)[C@@H](O)C1	1893107208	KUFZAXCYWOYPAI-CWKFCGSDSA-N	239.724	-0.639	50	10	BBGE	
C=C(CN=S1(=O)CCOCC1)B(O)O	1895190734	HICWZJBDESRXHB-UHFFFAOYSA-N	219.071	-0.947	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1C[C@@H]2CO)C(=O)NN	1895228967	IXILWBJLUUIPFQ-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
O=C(C[C@@H]1CCC1(F)F)NCC#CB(O)O	1899509981	ODRGHXGWCRRKHU-ZETCQYMHSA-N	231.007	-0.447	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)CC2COC2)C1	1902513963	USHBOECSGGEVES-SNVBAGLBSA-N	227.069	-0.512	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCn2ccnc2)C1	1902515904	NKJNBFUBZIGWCX-JTQLQIEISA-N	223.085	-0.178	50	10	BBGE	
CC[C@](C)(CN1CCO[C@@H]2C[C@@H]21)C(=O)NN	1902715871	LOLOBVHTMGMTEW-IQJOONFLSA-N	227.308	-0.134	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(CC(=O)NN)C1	1905550786	PRMWXYZWAYTBHY-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@@H]1CF	1909490306	WTZHEQJQVOXBAX-RNFRBKRXSA-N	238.027	-0.695	50	10	BBGE	
CC1(C(=O)Nc2ncccc2B(O)O)CC1	1913632101	CHFURCXNHGAOKH-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CC(C)OCC(=O)Nc1ncccc1B(O)O	1913668684	MEUKNUGNVCDRAZ-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@H]1CO	1914011769	VQKLTBGFNRLAQJ-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@](F)(CO)C1	1917085905	BSYWIENOTKKWLA-LLVKDONJSA-N	247.314	-0.057	50	10	BBGE	
N#CC1=CCN(C(=O)COCCN)CC1	1917107583	AKPVURBUGUIQGX-UHFFFAOYSA-N	209.249	-0.356	50	10	BBGE	
NNC(=O)c1coc(CN2CC(F)C2)n1	1917252044	QTJPVXNCSCMTIN-UHFFFAOYSA-N	214.200	-0.568	50	10	BBGE	
Cn1nncc1NNC(=O)C(F)(F)F	1923410530	PPDZHDIYRWCBEA-UHFFFAOYSA-N	209.131	-0.180	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCB(O)O	1927829499	OTVSNIIPPZDQOC-FNCVBFRFSA-N	211.070	-0.203	50	10	BBGE	
Cc1nnsc1[C@H](C)NC(=O)C(=O)NN	1928127362	SXHQLIKSTZACLU-VKHMYHEASA-N	229.265	-0.986	50	10	BBGE	
O=C(C[C@H]1CCCOCC1)NCB(O)O	1928158168	APINTSRLVPDVQC-QMMMGPOBSA-N	215.058	-0.679	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1F	1932374604	XOVJDIQTVUEDIV-RITPCOANSA-N	225.214	-0.099	50	10	BBGE	
CC[C@@H]1CN(CC(F)(F)C(=O)NN)CCO1	1935944535	MPPXEXYUEKCUNO-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COCC[C@H]1Cl	1937144817	FKURAYNDEALVBI-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
C[C@H]1CN(C)CCN1CC1(C(=O)NN)CC1	1938247086	OZQAHLNEQHZRID-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1C(=O)N(C)C)C(=O)NN	1940291587	MZOIHBUXTDVFLO-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
CC(C)C[C@H]1CC(=O)N(CCC(=O)NN)C1=O	1940840916	KMZWKQMKKQOEFU-QMMMGPOBSA-N	241.291	-0.212	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN2CCC[C@@H]2C1	1941082501	ZRWLZCQRYCLMNS-GMTAPVOTSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](CN1CCN2CCCC[C@H]1C2)C(=O)NN	1948620415	MLLNYYNYWCTZTI-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1csc(N2CC[C@H](F)C2)n1	1956966622	XYFCQOJMVAUMQW-YFKPBYRVSA-N	216.046	-0.629	50	10	BBGE	
CN(C[C@@H]1CO[C@H]2COC[C@@H]12)C(=O)NN	1958050779	IYRFRRVMQTUJQF-CSMHCCOUSA-N	215.253	-0.837	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1958117177	ORBFOZKSWXOUDD-FSDSQADBSA-N	220.219	-0.109	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(CCF)C1	1958352841	OLZOHBPAFRMBEK-UHFFFAOYSA-N	225.214	-0.097	50	10	BBGE	
NC(=O)CN1CCN(CC=CCCl)CC1	1960154903	BKQBCJAJUOABND-UHFFFAOYSA-N	231.727	-0.116	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCC[C@H]2C1=O	1961365227	SLXHIGAVCZRZBG-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1C[C@H](OCC2(C(=O)NN)CC2)CO1	1961627627	CCAVINIFAFHIQS-YUMQZZPRSA-N	214.265	-0.050	50	10	BBGE	
CCCCCOc1ncc(B(O)O)cn1	1961711589	FORXKOJURAUGNC-UHFFFAOYSA-N	210.042	-0.275	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21)C(=O)NN	1962114276	IKCLBRJNYWGTAR-KBDSZGMXSA-N	209.293	-0.047	50	10	BBGE	
O=S(=O)(NCB(O)O)[C@H]1CCCC[C@H]1F	1962633826	PUGTVDVHJABDCL-RQJHMYQMSA-N	239.077	-0.802	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCCOCC1	1976388046	TZVGCGWTLJNCOM-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(F)(F)F)C(=O)C(=O)NN	1976549717	XLBKPFZLMAIVIM-RFZPGFLSSA-N	239.197	-0.367	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCN(C2CC2)C1	1976579765	SOTFISSBPDJKHW-JTQLQIEISA-N	226.324	-0.465	50	10	BBGE	
CCN(C)C1CCN(CCC(=O)NN)CC1	1981059372	VMHYFSVRSCKYIE-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2C[C@H]2C1	1981409853	SEGWCXZKDYAKJQ-SFYZADRCSA-N	219.053	-0.997	50	10	BBGE	
CC(C)[C@@H]1CCN1c1ncccc1B(O)O	1981425672	JAHSGRJSMQEJAS-JTQLQIEISA-N	220.081	-0.004	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1	1982246501	VWZQMDVRDMGIIU-DJLDLDEBSA-N	242.710	-0.639	50	10	BBGE	
C=C(Cl)Cn1cnc2c(B(O)O)ncnc21	1982864818	PPRMCZSUYRQRDZ-UHFFFAOYSA-N	238.443	-0.741	50	10	BBGE	
OB(O)c1cnn(C2CC3(C2)CC3(F)F)c1	1984274898	PJULRKULCMPKEB-UHFFFAOYSA-N	228.007	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2C[C@H]2CO1	1984449303	ZGHLCZOWGIRHTR-KATARQTJSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](F)(COC)C1	1984643818	DANUBRHXNBVOMO-WCBMZHEXSA-N	233.287	-0.185	50	10	BBGE	
Cc1nn(C)cc1OC[C@H]1C[C@H]1C(=O)NN	1986050045	OLOMOGPQLDLCIG-HTQZYQBOSA-N	224.264	-0.267	50	10	BBGE	
COCCCCOc1ccc(B(O)O)cn1	1987527680	JTGLVQNZNIDMNX-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990041902	XWQMCHLZQYOCJA-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)/C=C/C(=O)Cl)C1=O	1991703719	JXDMTWDOANMUBJ-KGGZQZJCSA-N	244.678	-0.003	50	10	BBGE	
CNC(=O)NCCCNC(=O)/C=C/C(=O)Cl	1991704774	WRNNRQXQUXSXKA-ONEGZZNKSA-N	247.682	-0.257	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC#CB(O)O	1992153239	MHIVPMAFGAKNPQ-XFWSIPNHSA-N	221.065	-0.590	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C[C@H]1OC	1992782873	QFWHQMJDHCOAQY-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1997252989	AKSZNXYSLCUALW-GWOFURMSSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(CCOCC(=O)NN)C1	1997256900	OTKMAVGJKXQKCH-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
CC(C)(C)[C@@]1(CO)CCN(C(=O)C(=O)NN)C1	1998029246	CWHADSJZLWVNID-NSHDSACASA-N	243.307	-0.767	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	1998448911	UMHWPMYIBMTSPX-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1999849079	XIPUSTRWFFPRBG-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CC2(CCC2)C1	2000586686	XVJMFODSAUYZSH-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CC(C)N1C(=O)CN(CCCC(=O)NN)C1=O	2003828422	MCSMOXWTMUZPSY-UHFFFAOYSA-N	242.279	-0.571	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)c2ccncc21	2004311179	VVWLRRFMOGMKQG-QMMMGPOBSA-N	235.291	-0.284	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1	2004395052	XRKWSGICKIHDJG-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](CCF)C1	2004939312	LURMKPOQAPGCGQ-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
OB(O)c1cccnc1-n1cc(C2CC2)cn1	2004992078	ZQKUIMRSEMMWME-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
C[C@@H](CN1CC2(CO)CCC1CC2)C(=O)NN	2009104429	CXBOAMXOWWLBET-BMQDGWLCSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H](C)CCN(C)c1ncncc1B(O)O	2009690958	YWOXSELAYHWSIR-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
C[C@H]1CNC(=O)CN1CCCCCC(=O)NN	2010569537	SJKZAJYACHQDIV-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3(CCO3)C2)C1	2010834373	BXBAFFOGESJAIX-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CN(CCC(=O)NN)C1CC(n2cccn2)C1	2011125713	QKJQOVBLEDIBDA-UHFFFAOYSA-N	237.307	-0.102	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)CC(=O)NNC(C)=O	2019208113	FJHLMNWZHCRMPA-NXEZZACHSA-N	243.307	-0.347	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(C)=O	2019218689	HDNNNRKMWBAYRO-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCC12COC2	2020930685	XMZUDIJLUNSUAR-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@@]2(CO)C1	2021657668	WURMIFSWLKZCTI-GUDRVLHUSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc2c(c1=O)CCC2	2028053481	VGPQXNYOKCLQNJ-VXNVDRBHSA-N	248.286	-0.642	50	10	BBGE	
CCNC1CN(CC(=O)NNc2ccccn2)C1	2035787779	HOFLYIRWZDMPOK-UHFFFAOYSA-N	249.318	-0.182	50	10	BBGE	
COC1(CN(C)Cc2cccc(B(O)O)c2)CC1	2048916312	LIWXJXDMMIHGNY-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CCCC3)C2)nc1	2052469425	QNQBOVZEOQFMRE-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1[C@@H]2CCO[C@H]21	2056377565	ZCDVGKORDXHCKL-HBNTYKKESA-N	247.059	-0.660	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2070843454	OMCXZFHBFXZWGQ-GKNMUACTSA-N	244.103	-0.148	50	10	BBGE	
C#CCN1CC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	2083723531	PEPBMHODPNHABR-DCAQKATOSA-N	248.282	-0.390	50	10	BBGE	
CC(C)(CN1CC[C@H]2C[C@@H]2C1=O)C(=O)NN	2211799557	ZRKUCHLVJNIOFY-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CN1CCC[C@H]1COCC(F)(F)C(=O)NN	2211861802	RATWDXBSYAKTTO-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
NC1(CCOc2ncccc2B(O)O)CC1	2212601636	QRZWUFPPVQKYFO-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
OB(O)c1ccnc(N2CC3(F)CC2C3)c1	2212602035	XOQWIFAYRWLVOC-UHFFFAOYSA-N	222.028	-0.548	50	10	BBGE	
CCSCCN=c1cc(B(O)O)c(C)c[nH]1	2212606397	SVHYBXCUCLNYDP-UHFFFAOYSA-N	240.137	-0.343	50	10	BBGE	
C[C@H](C1CC1)N(C)c1cc(B(O)O)ccn1	2212610383	HXNSDYQGEFQFSL-MRVPVSSYSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H](CCCN)Oc1cc(B(O)O)ccn1	2212611458	BGXFULNFLYPHQS-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)C1(N)CC1	2212612297	JPMLBMNBCFMSJO-SSDOTTSWSA-N	222.053	-0.980	50	10	BBGE	
CC(C)(C)C1CC(S(=O)(=O)NCB(O)O)C1	2212629372	YTMPWZVWMJUPEM-UHFFFAOYSA-N	249.141	-0.258	50	10	BBGE	
CCN(C[C@@H]1CC[C@H]1C(=O)NN)C1CN(C)C1	2215774337	WJTWXZFYEBZZPQ-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccnc1[N+](=O)[O-]	2215775389	GQJSUKJTHQWUFK-BQBZGAKWSA-N	239.235	-0.193	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCOC2)c1	2217175093	DEQITMUBXSIPLU-SECBINFHSA-N	236.080	-0.400	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1cc(B(O)O)ccn1	2217175540	KHFCQAUWPROUEK-SECBINFHSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H](CCO)CNc1nccc(B(O)O)c1F	2217183130	FXTRFCSETCQEEN-ZETCQYMHSA-N	242.059	-0.669	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)CC[C@H](N)C1	2217191997	GKXOEGPMTOAKDW-ONGXEEELSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1CCOCCN1c1cc(B(O)O)ccn1	2217197542	NOKGAYSCRFFYPW-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CN(C)CC1(CNc2ncccc2B(O)O)CC1	2223645067	RODQYXHQQCVFGV-UHFFFAOYSA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCC[C@@H]2NCC3)nc1	2223670387	XETXVGKPJDDSEC-JQWIXIFHSA-N	247.107	-0.542	50	10	BBGE	
C#CCN(CC(C)(C)C)c1ncc(B(O)O)cn1	2223670607	ALMSQHTXMRCHDK-UHFFFAOYSA-N	247.107	-0.358	50	10	BBGE	
CN(CCF)C(=O)C1(B(O)O)CCC1	2241473097	CQGYXLULYPIGRJ-UHFFFAOYSA-N	203.022	-0.189	50	10	BBGE	
CN(CCCF)C(=O)[C@H]1C[C@H]1B(O)O	2241480667	MYYJIKWIVJAYJU-NKWVEPMBSA-N	203.022	-0.333	50	10	BBGE	
C=CCC(=O)Nc1ncc(B(O)O)s1	2241555830	RBABBYKFBWHBBL-UHFFFAOYSA-N	212.039	-0.663	50	10	BBGE	
CN(CCCC(=O)NN)CC1COC1	2241661887	LHCHLIXHVCMDJY-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CSCC1COC1	2241878695	MCGTUYIMYLSODB-SFYZADRCSA-N	216.306	-0.008	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)C1(B(O)O)CC1	2243363571	IZJQYMNICPTQAM-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
CN(CCOC(F)F)C(=O)C1(B(O)O)CC1	2243364094	QQUCZDQNMROSAA-UHFFFAOYSA-N	237.011	-0.309	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)C2(B(O)O)CC2)C1=O	2243365669	PRVZJZHWWZHGOQ-BQBZGAKWSA-N	225.053	-0.223	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCC[C@@H]21	2243400107	WAEFDJOEZROBQE-GUBZILKMSA-N	221.065	-0.446	50	10	BBGE	
CON(C)C(=O)c1ccc(Cl)cc1B(O)O	2243411482	USZFXIGUVQJZMX-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
CN(CCCCO)C(=O)C1CC(B(O)O)C1	2243413303	DEDVKOORJGUWPW-UHFFFAOYSA-N	229.085	-0.530	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@@H]2[C@@]1(C)COC)B(O)O	2243810292	JTQAVHCJWWLDEN-GARJFASQSA-N	225.097	-0.089	50	10	BBGE	
C[C@H]1OC2(C(=O)O)CC1(NC(=O)NN(C)C)C2	2247272271	KJFNFZZDABQPOF-STOUBEHRSA-N	243.263	-0.463	50	10	BBGE	
CCC1(CNC(=O)c2ccc(B(O)O)o2)CC1	2247739753	AYPFTFBHMINVDX-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1cccc(C#N)c1	2247740202	HPYAMKREFLWTLN-UHFFFAOYSA-N	228.016	-0.464	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ccoc1B(O)O	2247741151	VLGHPUWMADPISF-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247747901	UWEABSQUCDRUOU-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
CCC[C@@H](CO)CNC(=O)C1(B(O)O)CCC1	2247753305	FEOMIZZGADVSIN-SECBINFHSA-N	243.112	-0.092	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786825	GZXKISPCURBJQE-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@@H]3C2)oc1B(O)O	2247788294	CQXCEBBJAJXTKJ-HTQZYQBOSA-N	235.048	-0.640	50	10	BBGE	
CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247790039	FFFQXHRWUJSLST-BBBLOLIVSA-N	240.112	-0.694	50	10	BBGE	
C#CC[C@H](COC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247791482	NLFBFDYGJBNTFI-OPRDCNLKSA-N	239.080	-0.606	50	10	BBGE	
O=C(NC[C@]1(F)C[C@@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2247793724	ZNXBQBQFQZIQKR-DQUBFYRCSA-N	245.059	-0.924	50	10	BBGE	
CN(CCOCC1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2247800383	OKHXPLKUOPRAKO-VHSXEESVSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247805464	KIAOJOCEIQILMF-CDLYGTGVSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)O1	2247808945	NIRIQFKZMZXLNZ-VVULQXIFSA-N	241.096	-0.221	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247810333	WMMVIZINWQUKJP-FXPVBKGRSA-N	240.112	-0.421	50	10	BBGE	
C[C@H](c1ccncc1)N(C)C(=O)C#CB(O)O	2247848481	MLKOWYUUQMJRFI-SECBINFHSA-N	232.048	-0.384	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1NC(=O)C#CB(O)O	2247850748	SISCNVXUEIKPQU-ATZCPNFKSA-N	235.092	-0.057	50	10	BBGE	
O=C(N1CC[C@@H](O)[C@H](F)C1)C1(B(O)O)CCC1	2247854395	CBGRXOUPSQJLBT-HTQZYQBOSA-N	245.059	-0.685	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CCC1)N(C)C	2247856427	JPVWDNQPXSBPKK-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CN(C)CC1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247860076	RNOXSFZAKVCXKF-YDYPAMBWSA-N	240.112	-0.694	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCOC[C@H]1F	2247871428	BBMLLESJKMBZFM-SFYZADRCSA-N	245.059	-0.421	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC=CCC1	2247873683	LXFPEPYGQHEGRG-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
O=C1[C@H]2CCCC[C@@H]2N1C(=O)C1(B(O)O)CC1	2247878008	GWTWBPBLTKHZSQ-YUMQZZPRSA-N	237.064	-0.079	50	10	BBGE	
CCCN1CC(NC(=O)C2CC(B(O)O)C2)C1	2247892467	BFGKUGQHEVDVTD-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)NCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894795	KWHAZHVFYLCGJF-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895289	QWVDNOJPUXISFR-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@@H]1B(O)O	2247899493	NPFSNRPJQRIVMB-CIQUZCHMSA-N	239.080	-0.610	50	10	BBGE	
CNC1CCN(C(=O)C2CC(B(O)O)C2)CC1	2247909544	KKXSMMLUTKRRCP-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248578947	PADWWWQFXHDDRE-BWZBUEFSSA-N	241.052	-0.615	50	10	BBGE	
O=C(O)[C@H]1C=CCN1C(=O)C1CC(B(O)O)C1	2248580314	XACNHQRLESGAMG-KAVNDROISA-N	239.036	-0.909	50	10	BBGE	
CC1(C(=O)O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2248585311	JJIXWXFVZWCNHK-KNVOCYPGSA-N	241.052	-0.828	50	10	BBGE	
C[C@]1(C(=O)O)C=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248586709	GATFIFTZJCJTKX-NYNCVSEMSA-N	239.036	-0.909	50	10	BBGE	
CC#CCCCNC(=O)c1ccncc1B(O)O	2255452612	LLLGVEAGJXTYDV-UHFFFAOYSA-N	246.075	-0.705	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1OCCC2	2255475568	ZLAVDMHFFGSXAU-UHFFFAOYSA-N	245.043	-0.035	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1(C)CC=CC1	2255508481	NIROVRKYGUALCZ-UHFFFAOYSA-N	248.091	-0.457	50	10	BBGE	
Cc1ccc(C(=O)NN2CCCC2)c(B(O)O)c1	2255513659	VLWAVKMXCWANFI-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cccc(C)c1B(O)O	2255514242	FYVQGFOYNCTBCR-JTQLQIEISA-N	243.071	-0.477	50	10	BBGE	
NCCc1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2255564377	OWGIETUOGARKJX-GHMZBOCLSA-N	248.091	-0.011	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3ccc(B(O)O)o3)[C@H]1C2	2255670721	ZWBODMQKEAODKW-RGNHYFCHSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@@H]3C2)oc1B(O)O	2255780487	XCGVGZUJIGDXHZ-DTWKUNHWSA-N	249.075	-0.250	50	10	BBGE	
O=C(NCCc1ncccn1)C1CC(B(O)O)C1	2255799998	BPGLJJJOFOIORQ-UHFFFAOYSA-N	249.079	-0.612	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)c1ccoc1	2256371841	CNWJISLGVYWTAC-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(NC[C@H]1CCCCCN1)[C@H]1C[C@H]1B(O)O	2298375143	ZSPPDGWOPJVHDJ-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
CC1(C)COC[C@H]1CNC(=O)C1(B(O)O)CC1	2299581583	ALLPMOILEJPGNI-MRVPVSSYSA-N	241.096	-0.218	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1[C@H]2COC[C@H]1C2	2300376466	YNOVLERNJZWYGS-LNFKQOIKSA-N	239.319	-0.134	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnccn2)C1	2303116082	ZKKHAPAGDMKHSE-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
CN1CCOC[C@@H]1CN1CC[C@](C)(B(O)O)C1	2303153743	FVZZYDIYMGRDLS-QWRGUYRKSA-N	242.128	-0.744	50	10	BBGE	
COC(=O)NC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2306925847	YYEBQIUCPAEYJD-RQJHMYQMSA-N	244.295	-0.959	50	10	BBGE	
OC[C@]12C[C@H](CCN1c1ncccc1B(O)O)C2	2315154161	JVBMIFYZUGIHFZ-WVSHTKLVSA-N	248.091	-0.887	50	10	BBGE	
CCC#CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2319241864	ZEONQLJTYYLDKU-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
C[C@H]1CCCCN1S(=O)(=O)CCC(=O)NN	41303663	CTQRFCXDQZWYNB-QMMMGPOBSA-N	249.336	-0.429	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCSCC2)O1	82466600	DEMFBENDMXPXNI-RKDXNWHRSA-N	245.348	-0.427	50	10	BBGE	
O=C1CN(C(=O)CCCCCl)CC(=O)N1	85085469	WXEGJKYUDRKLKF-UHFFFAOYSA-N	232.667	-0.120	50	10	BBGE	
CC(C)(CN1CCC[C@H](CO)C1)C(=O)NN	86597584	ANPDVYBDCGSTHL-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
CC(=O)N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C	103905251	XYZRGYBLHRIRTC-WEVVVXLNSA-N	233.227	-0.155	50	10	BBGE	
CCC[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O	195217961	DWDSWBYEFFOINZ-IUCAKERBSA-N	230.117	-0.343	50	10	BBGE	
CCNC(=O)NCc1ccccc1B(O)O	204260327	RROKVGIFUAYYQA-UHFFFAOYSA-N	222.053	-0.815	50	10	BBGE	
CCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223072502	KBYLHWHSEHCBOI-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](N(C)C)C1	227698026	QWEDXBUCUMRMRF-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CN1CCCN(C(=O)NC(=O)CCl)CC1=O	229023796	MMHIPHWLGXGYLB-UHFFFAOYSA-N	247.682	-0.375	50	10	BBGE	
OB(O)CSc1ncnc2[nH]cnc12	238608415	DHHGKIWIROHKDG-UHFFFAOYSA-N	210.027	-0.543	50	10	BBGE	
O=CCC(=O)c1ccc(Cl)c(B(O)O)c1	238616085	LGLNVWJEVKMBNK-UHFFFAOYSA-N	226.424	-0.209	50	10	BBGE	
C[C@H](Cl)c1nnc(N2C[C@@H](O)[C@H](O)C2)o1	300219857	CEVCYDDVFIFUSS-KVQBGUIXSA-N	233.655	-0.089	50	10	BBGE	
COCCOCCN(C)CCCCC(=O)NN	310356644	QYCSBVUYAFTUJD-UHFFFAOYSA-N	247.339	-0.259	50	10	BBGE	
COC1(CCNC(=O)C(=O)NN)CCC1	381861819	IMESJIBXCTYEDS-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
C[C@H](SCCC(N)=O)[C@H](C)C(=O)NN	399165608	MCSLCLYSRHBMEN-WDSKDSINSA-N	219.310	-0.391	50	10	BBGE	
CC[C@H]1CN(CCCCC(=O)NN)C[C@H]1O	399866607	AHTAKZPPTYSUPN-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC[S@@](C)=O	399897637	JKUIJVSKGWYSED-NXSYQRQQSA-N	221.326	-0.935	50	10	BBGE	
CO[C@]1(CO)CCN([C@@H](C)[C@H](C)C(=O)NN)C1	402604729	MHDPISQDNUGVCO-ATZCPNFKSA-N	245.323	-0.916	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)[S@](C)=O	404877211	KSWQDGCCAAPXIE-AWEZNQCLSA-N	233.123	-0.847	50	10	BBGE	
NC(=O)NNC(=O)[C@]12CCC[C@@H]1OCC2	687413702	JZIJRTQXZSJZNM-RCOVLWMOSA-N	213.237	-0.355	50	10	BBGE	
O=C1COCCCN1C[C@@H](O)CCl	688040735	LMWFAFYMNKFRBA-ZETCQYMHSA-N	207.657	-0.165	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCCSC1	689510684	LPGOIYQDLHWXMK-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC(C)(CO)CO	689875587	OBASOLWIHYGAAI-VIFPVBQESA-N	247.339	-0.932	50	10	BBGE	
CCOCCCn1nc(C)c(B(O)O)c1C	694278254	YJNIYLKQYHOTHF-UHFFFAOYSA-N	226.085	-0.394	50	10	BBGE	
OCC1(CO)CCN(c2nnc(CCl)o2)C1	694650136	QRBPEMJNBVZBBS-UHFFFAOYSA-N	247.682	-0.011	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1cccc(B(O)O)c1	703518844	QRLGZXMGNBEASE-BXKDBHETSA-N	236.076	-0.082	50	10	BBGE	
CN(N)C(=O)CS[C@@H]1CCS(=O)(=O)C1	704673220	QZWISQHANWJFOJ-ZCFIWIBFSA-N	238.334	-0.761	50	10	BBGE	
COC[C@H](C)Oc1c(F)cccc1B(O)O	707076477	SPGJXAFPPXJRAZ-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCn1cccn1	707429760	GBDGGMODNVUCJQ-SNVBAGLBSA-N	239.323	-0.171	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	708287746	VEXUHKFNZGINKI-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1cncs1	719041469	FYPZIHKPDYEWQW-ZETCQYMHSA-N	214.294	-0.394	50	10	BBGE	
CC(C)O[C@]1(CNC(=O)NN)CCOC1	722343011	CKVLDUYTUBLXTK-VIFPVBQESA-N	217.269	-0.257	50	10	BBGE	
CSC[C-](O)N1CC2=C=C(B(O)O)C#C[C-]2C1	725450015	XAPDHJQGNFVPMO-UHFFFAOYSA-N	249.100	-0.418	50	10	BBGE	
COCCCC=NNC(=O)[C@@H]1COCCO1	777439429	SSUINNPSWFKMQV-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
COC(=O)c1cc(C=NNC(=O)CO)c(C)o1	848406615	HJJKFHFFZQXMFZ-UHFFFAOYSA-N	240.215	-0.183	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862892233	YMRNKQOECGXRMG-XHNCKOQMSA-N	244.291	-0.282	50	10	BBGE	
O=C1C[C@H](Cl)NC(=O)N1N1CCOCC1	953054989	JSDCLONIJYLBHK-ZCFIWIBFSA-N	233.655	-0.260	50	10	BBGE	
CO[C@H]1CCN(Cc2cscc2B(O)O)C1	1231947088	IYUASBAJVHYGCQ-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
CNC(=O)NNC(=O)CCc1ccnn1C	1320370493	HRMBHETYDRHZHD-UHFFFAOYSA-N	225.252	-0.687	50	10	BBGE	
COC(=O)CNC(=O)NN=Cc1cncnc1	1330326969	GMLVSYVNNMKNRG-UHFFFAOYSA-N	237.219	-0.717	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1ccncn1	1438909445	JILBPSWHSCKVSP-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2ccnnc2)CC1	1451681639	GGBZNHVDJJHIOU-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
CC(=O)NNC(=O)Cn1ncc2cccnc21	1623585963	BLYVCZHOTKVMOI-UHFFFAOYSA-N	233.231	-0.401	50	10	BBGE	
C[C@H](N(C)C(=O)C(=O)NN)C(C)(F)F	1885203516	PEXBIXPNXJRHKL-BYPYZUCNSA-N	209.196	-0.522	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCO1)C(=O)NN	1889799065	IEZPAYXWQCQHPA-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CN(C)CC1(O)CN(C[C@@H](Cl)C#N)C1	1892488654	MMQWWBWBBPGFJV-QMMMGPOBSA-N	217.700	-0.274	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C[C@@H](C)C(=O)NN	1899736493	UZLHRHJUKVBSBU-BBBLOLIVSA-N	227.308	-0.376	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1[C@H](C)CC(=O)NN	1900188573	BMKWWBVITUAPKB-FXPVBKGRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)=CCOc1ncc(B(O)O)c(C)n1	1900852132	TUFDUDKEXWBZMO-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
CN(NC(=O)N1CC[C@@H](C#N)C1)S(C)(=O)=O	1901348645	MJDKGRHWNNZAOT-ZETCQYMHSA-N	246.292	-0.652	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)CC1(O)CC1	1901653344	YKFIHNAEILPAGZ-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
Cn1cnc(C(=O)N2CC[C@H](B(O)O)C2)c1	1902520363	APTQUQJIZVAGDC-ZETCQYMHSA-N	223.041	-0.891	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CC(=O)NC1=O	1905558335	FFHQWNBPDANPMM-CRCLSJGQSA-N	218.640	-0.465	50	10	BBGE	
NC(=O)CC[C@H](N)C(=O)NCC(Cl)Cl	1905564869	ZQKKGBDBTYCRHG-BYPYZUCNSA-N	242.106	-0.501	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914015945	ANMFYQVQCLYLRD-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CCN(C[C@H]1CC[C@@H](C(=O)NN)O1)C1COC1	1915653521	LLKDKIHDUZEBMG-ZJUUUORDSA-N	243.307	-0.755	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCC[S@](C)=O)C1	1928750604	HWEWSXJCVFZRSA-DAROEXNTSA-N	224.757	-0.124	50	10	BBGE	
Cc1nc(=N[C@H]2CN(C)C[C@H]2Cl)n(C)[nH]1	1930291119	IBVHTTADPAQYCU-SFYZADRCSA-N	229.715	-0.121	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C(F)(F)C12CC2	1931750895	IWHFHZBRYJVXRI-VKHMYHEASA-N	205.164	-0.269	50	10	BBGE	
CO[C@H]1C[C@H](N=C=O)CN(S(C)(=O)=O)C1	1934668588	JBHKGJZCOICKAG-YUMQZZPRSA-N	234.277	-0.629	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)C[C@H]1C	1934982020	WOEKOJUZTPCCRF-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1COC2	1936091269	OHTWCUVBBRPRDN-AATLWQCWSA-N	225.292	-0.524	50	10	BBGE	
CCCCN(CCO)C[C@H]1C[C@H]1C(=O)NN	1936093795	HOSMYBVIHQZLAO-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CCN(CC)CCCn1ccc(B(O)O)n1	1936468794	BIGKOXVIAYGXEK-UHFFFAOYSA-N	225.101	-0.705	50	10	BBGE	
CO[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@H]1F	1937153909	LNLLPRUDQCWUHK-IWSPIJDZSA-N	233.287	-0.330	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCn1ccnc1	1944475369	KXEQOWVEPTWCQO-SNVBAGLBSA-N	239.323	-0.171	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CC12CC2	1944723433	IXDCXTBVBZVJQB-KXUCPTDWSA-N	239.319	-0.277	50	10	BBGE	
CC[C@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	1945889214	NCRVHITVEMMTRV-LBPRGKRZSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1COC1	1954849993	SWDXCKQCUCSWDC-BYPYZUCNSA-N	206.629	-0.162	50	10	BBGE	
CC1(C)CCN1c1nc(B(O)O)cs1	1956963456	CHDMSFPHZCUXOZ-UHFFFAOYSA-N	212.083	-0.188	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@](O)(CO)C1	1957317404	IGGLSHKUAYYCLR-IONNQARKSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCc1nnnn1C	1957317687	JJDVUPNNSFRASQ-RXMQYKEDSA-N	217.660	-0.156	50	10	BBGE	
OCC(CO)[C@H]1CCN(C[C@H](O)CCl)C1	1961298989	UNSUNBNFPMOBBC-WCBMZHEXSA-N	237.727	-0.491	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)N1CC=C(C#N)CC1	1962475023	SCSJFOHGQAKDHM-CBAPKCEASA-N	209.249	-0.623	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1	1969584105	BHTHENIXXJQXSJ-KCJUWKMLSA-N	233.076	-0.153	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)N[S@@](=O)C1CCCC1	1976994347	HXKRGRUBWYQOCU-QZTNRIJFSA-N	249.097	-0.892	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC=C[C@@H](O)C1	1978920144	QLNKMFBRWUGTBS-ZJUUUORDSA-N	227.308	-0.376	50	10	BBGE	
CC(C)(CCN1CC=C[C@H](O)C1)C(=O)NN	1978921135	YUYCMFQIOFIPBG-VIFPVBQESA-N	227.308	-0.375	50	10	BBGE	
CCN(C)C1CN([C@@H](C(=O)NN)C(C)C)C1	1980601794	PXYDTEFIOOTJBT-SNVBAGLBSA-N	228.340	-0.363	50	10	BBGE	
CSC1CN(c2ncnc(C)c2B(O)O)C1	1981446637	ZPOPGIUGCSDESO-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3C[C@H]32)n1	1981468805	IPFAVAFMZACJID-VXNVDRBHSA-N	219.053	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568883	YGYOQGQAVUJDPW-CHHOWFRJSA-N	227.308	-0.544	50	10	BBGE	
C=C(CO)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	1991481794	UZVXOBANOIKMOM-IUCAKERBSA-N	225.244	-0.159	50	10	BBGE	
CCOC1(CO)CN(C(=O)C=CC(=O)Cl)C1	1991652878	SKUKYGYSYCPXKZ-UHFFFAOYSA-N	247.678	-0.082	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CCCNC1=O	1991655629	YDNVGBHVCITPDV-ZETCQYMHSA-N	244.678	-0.050	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1991682833	NBMVAVCMPXFYJB-PBXRRBTRSA-N	249.650	-0.254	50	10	BBGE	
CC1(C)CC(S(=O)(=O)NCC#CB(O)O)C1	1992139440	UXDHGANDXFQKDM-UHFFFAOYSA-N	245.109	-0.890	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	1992143006	MWBIHIDMLVQZLC-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
COC[C@@H](C(=O)NN)N1O[C@H]2C=C[C@H]1CC2	1992326444	IMGTWUMQZSZCKD-CIUDSAMLSA-N	227.264	-0.674	50	10	BBGE	
C[C@H]1C[C@@H]1OC[C@]12C[C@](C(=O)NN)(CO1)C2	1993891855	WBKBOOUBFCAOCU-UUTMEEIUSA-N	226.276	-0.050	50	10	BBGE	
CC(C)(C)CC(=O)Nc1ncc(B(O)O)cn1	1996646682	FQLIKCNPYCYVBM-UHFFFAOYSA-N	237.068	-0.469	50	10	BBGE	
OB(O)c1cccc(CN2CCC[C@@H](O)C2)c1	2000988106	PEZNOTJSDAFPCA-GFCCVEGCSA-N	235.092	-0.677	50	10	BBGE	
C[C@H](C#N)CN(CCOCC(=O)NN)C1CC1	2003767757	SCHIFUVPQNDJIB-SECBINFHSA-N	240.307	-0.383	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1coc(C)n1	2003810189	DKJFOZBDUWMGLT-VIFPVBQESA-N	242.279	-0.580	50	10	BBGE	
CC[C@@H]1CC[C@H]1N(C)c1ncncc1B(O)O	2004916420	LNNBCAKLODMLRB-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
Cc1ccnc(N2CC(C3CC3)C2)c1B(O)O	2004917357	BOYRTLIEQZLMOJ-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
COC1CCN(c2ccc(B(O)O)cn2)CC1	2004919117	UWCUVLAJWUEDMT-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@H]1CCCO1	2004928952	HETPAPULLMEKCY-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2CCCO2)c(F)c1	2004930851	XIEVVVNXWVNTNF-QMMMGPOBSA-N	241.027	-0.542	50	10	BBGE	
COc1nc(N(C)[C@@H]2C[C@H]2C)ncc1B(O)O	2005103623	IVNCRMUCLHUPJZ-HTRCEHHLSA-N	237.068	-0.990	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CCCN2C)C1	2013600654	MQMLGJMCJRYJJF-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
COCCN1[C@@H](C)CN(CC(=O)NN)C[C@@H]1C	2013855714	AXQVLKXAPVMXAR-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](CN1CCCC[C@@H]1C1(O)CC1)C(=O)NN	2013933857	ROXDXAFIWBIBKH-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCCC12COC2	2020927078	CSTUTHKMXAKHQI-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CN(C)[C@@H]1CCCN(c2ccncc2B(O)O)C1	2052499282	QQHHLINLAPIUIO-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CCN(CC)C1CN(c2ncccc2B(O)O)C1	2052499418	SQGFBGCHIRJIRO-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@@H]1CCN(C)C1	2052621814	LYAWZUIRWUXHOB-LLVKDONJSA-N	249.123	-0.790	50	10	BBGE	
CCOc1c(OC)cc(C#N)cc1B(O)O	2060205044	PEUKJDUYWKRTSZ-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CCc1cc(B(O)O)c(C#N)cc1C=O	2060238890	TYMGBLUQOBVWRE-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccc(B(O)O)cc1	2079007991	CNIIVVHTBHVSDE-VIFPVBQESA-N	246.075	-0.212	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1B(O)O	2079011043	XXBYQNGFEYVZEK-ILWJIGKKSA-N	245.087	-0.105	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccc(B(O)O)cc1)C2	2079011283	BTROHMMZNIOUPW-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
Cn1cncc1COCc1ccccc1B(O)O	2080332619	NKKMMPNXRZOSKZ-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(CC(=O)NN)C1	2209758486	PYYYSXIIWPFSTI-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
OB(O)c1ccc(CN2CC3(CCO3)C2)s1	2211072826	RKYMIHMRHQULNN-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
CN(CC(=O)NN)C[C@@H](F)C1CCOCC1	2212189324	JZTZXBFJFSHMMN-SECBINFHSA-N	233.287	-0.327	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1cc(B(O)O)ccn1	2212606136	PCAFTQSSMLRZIG-DTWKUNHWSA-N	220.081	-0.146	50	10	BBGE	
CC(C)[C@H]1COCCN1C[C@H](C)C(=O)NN	2212607320	JTHNPEUEWKOZER-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
COC1(CNc2cc(B(O)O)ccn2)CC1	2212610722	NXCLDDRYZGEABR-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
CN[C@@H](C)CCOc1cc(B(O)O)ccn1	2212613011	QSGVABNYWDPOSG-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
NNC(=O)C1(Cn2ncccc2=O)CCCC1	2216863322	JXJWUCCKCXDHOZ-UHFFFAOYSA-N	236.275	-0.206	50	10	BBGE	
CCO[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2217172894	NJKOHAAUSSDNEP-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CO[C@@H]1C=CCN(c2cc(B(O)O)ccn2)C1	2217175636	LLOXNQMIYJCQRE-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CC(C)OCCCN=c1ccc(B(O)O)c[nH]1	2217180850	WJGKWHFVKMSMJG-UHFFFAOYSA-N	238.096	-0.590	50	10	BBGE	
CC[C@H](COC)Nc1nccc(B(O)O)c1F	2217184723	VSULCLXQIKPJTJ-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
CCC[C@H](CO)CNc1ncccc1B(O)O	2217198688	FDZJEULCNYZHNE-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H](CN)C1CC1	2220065751	QWZOXNOALJWPIJ-ZDUSSCGKSA-N	248.135	-0.465	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CC[C@H]2C)ncc1B(O)O	2220611374	DRSMQLKROZPUJT-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1ccno1	2222239766	GKDKFUVNTMMQOT-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
NC[C@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2223640276	VUDTZBVGZFQPIV-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@@H](N)C2)cc1B(O)O	2223645203	UAQDFZRAMFUICW-NXEZZACHSA-N	249.123	-0.248	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@@H]3C[C@@H]32)cc1B(O)O	2223647006	RXVKYZWNEAUPES-FBIMIBRVSA-N	247.107	-0.768	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2223676843	GQZWZSBAHUJBEV-FOGDFJRCSA-N	248.091	-0.889	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)C(F)F	2241437900	GQYHEVDXVOQAEO-YFKPBYRVSA-N	206.985	-0.428	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)C(F)F	2241467877	CKBDSTOCQMTOMB-YFKPBYRVSA-N	204.969	-0.981	50	10	BBGE	
NC(=O)C[C@H]1CCCN1C[C@@H](O)CCl	2241683918	MVUZUQGXSZRGRJ-SFYZADRCSA-N	220.700	-0.074	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ncsc1B(O)O	2243359398	SFJOGYONOJLHSB-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
NCCCCCCNC(=O)C1(B(O)O)CC1	2243363794	MNFBPKOGAPERAX-UHFFFAOYSA-N	228.101	-0.371	50	10	BBGE	
O=C(NCCn1cccn1)C1(B(O)O)CC1	2243364608	ZTCNHQFMKSHUJT-UHFFFAOYSA-N	223.041	-0.994	50	10	BBGE	
CCc1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH][nH]1	2243390981	DYTQGVHEPWPYRW-NKWVEPMBSA-N	223.041	-0.805	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2243395890	DNOCARSSVUDWHE-XHNCKOQMSA-N	227.069	-0.656	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cocc1B(O)O	2244217675	RZTYXZKBIRMZRY-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)co1)C(C)C	2244222314	SKUGQWNINPPUKI-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C#CCN(OC)c1cc(B(O)O)c(C)cn1	2244268867	OXFOQWBBBRXYOF-UHFFFAOYSA-N	220.037	-0.929	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)oc2C)C1	2247721909	ISDHRCDJTXOVNP-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
CN(CC1C[C@@H]2CC[C@H]2C1)C(=O)C#CB(O)O	2247740008	DZWMNTBLDTYKKP-QWRGUYRKSA-N	235.092	-0.104	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)ccc1C	2247751897	DZCYEWLAKZBSHX-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1occc1B(O)O	2247755040	ILWZIPQGJDGZCE-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)cn1C	2247762248	CRODOLFDIIBCRI-MTBHXBHISA-N	236.080	-0.911	50	10	BBGE	
CC(C)[C@@](C)(CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786500	BRXNNQKERGUWLF-WCABBAIRSA-N	243.112	-0.237	50	10	BBGE	
O=C(NC[C@@]1(F)CCOC1)[C@H]1C[C@@H](B(O)O)C1	2247786766	GHKREPHUJXMHCS-XKSSXDPKSA-N	245.059	-0.516	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806333	FDYRURUIMKMDRU-BGZDPUMWSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCCC12CNC2	2247808614	VNRZICIPKZIWJB-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
CCC(CC)N(CCOC)C(=O)C#CB(O)O	2247846229	CDGQYJNIONNMIU-UHFFFAOYSA-N	241.096	-0.335	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cc(B(O)O)oc1C	2247853321	KGCHBIDHJBNNCK-UHFFFAOYSA-N	237.064	-0.038	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247877520	BOEDRFWXMZXENP-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
CCCN(C)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247886310	ALXLAKRKEKLWIN-VHSXEESVSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCC[C@@H]1CCCOC1)[C@H]1C[C@H]1B(O)O	2247886536	CKJUZDKDZDSWPW-LPEHRKFASA-N	241.096	-0.218	50	10	BBGE	
O=C(NCC12CC(CCO1)C2)[C@@H]1C[C@@H]1B(O)O	2247887345	MYYMQQSBRWKVFV-GWMJWBFUSA-N	239.080	-0.465	50	10	BBGE	
O=C1CC2(CCCC2)N1C(=O)[C@H]1C[C@H]1B(O)O	2247898691	GZJTVICVSFCZPT-JGVFFNPUSA-N	237.064	-0.079	50	10	BBGE	
COC(=O)CCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247899691	PKIGXPMWKKIJGW-ZKCHVHJHSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@]2(CCNC2)C1	2247899696	PLHWWGJRSHEIPK-FXPVBKGRSA-N	238.096	-0.939	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H](O)[C@H]1C2	2247906657	ZLDQMYNVKGRMBA-SLJGFSCLSA-N	239.080	-0.779	50	10	BBGE	
C[C@]1(C(=O)O)CCN1C(=O)C1(B(O)O)CCC1	2248587450	PQILNTDHBRZLND-SECBINFHSA-N	241.052	-0.541	50	10	BBGE	
O=C(NC[C@H]1C[C@H](C(=O)O)C1)[C@@H]1C[C@H]1B(O)O	2248589317	OREQDSXJDGYNKB-WCTZXXKLSA-N	241.052	-0.924	50	10	BBGE	
C#CCC1CN(C(=O)c2cocc2B(O)O)C1	2249419614	JATQXLJCCKPZTB-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
CC[C@H]1NCC[C@H]1Oc1cc(B(O)O)ccn1	2251025303	UEPFVHAFUMJTDV-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cccc(F)c1B(O)O	2255503090	JSDITIUPYAYPSJ-BQBZGAKWSA-N	249.050	-0.356	50	10	BBGE	
CC(C)=CCCNC(=O)c1ncccc1B(O)O	2255514139	DLQISNNFGKBHKR-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
Cc1cc(C(=O)Nc2ncccn2)oc1B(O)O	2255573507	NSTWTVXFLLFCPB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3C[C@@]3(C)C2)oc1B(O)O	2255573539	OKFIKMZLRKIDQH-UFBFGSQYSA-N	249.075	-0.250	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCc2n[nH]cc2C1	2255583189	LTNKQXLCGKTZJA-BDAKNGLRSA-N	249.079	-0.453	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255589475	QUEAQDWBKOXGEM-VXNVDRBHSA-N	249.079	-0.925	50	10	BBGE	
C#CCCCCNC(=O)c1cc(B(O)O)cn1C	2255718258	WUECTXWAZIDJSL-UHFFFAOYSA-N	248.091	-0.762	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CCC[C@H]2C1	2255731854	MKRPMGZINATQAX-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
O=C(N1Cc2cncnc2C1)C1(B(O)O)CCC1	2255738354	RLANTIYVCHPMBQ-UHFFFAOYSA-N	247.063	-0.284	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2255770880	SGRRBYVYTYSBKP-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(OC)cc1B(O)O	2255791870	XEMKPCBPKFXYJP-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)NC1[C@@H]2CC[C@@H]12	2255917080	KQNRHWTYAREWOC-NXEZZACHSA-N	246.075	-0.104	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1CO)[C@@H]1C[C@@H]1B(O)O	2298376424	WCSCOIWGWRFSEF-RGOKHQFPSA-N	241.096	-0.626	50	10	BBGE	
NCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376452	XAGATAZGOQECRY-BBBLOLIVSA-N	240.112	-0.421	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377237	JJPLDXGLOGZLGF-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC(CCO)C1	2300370843	LRHVVVXSLFJGIZ-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
CNC[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301342328	XRNWTWTWBVVDJM-MRVPVSSYSA-N	233.080	-0.742	50	10	BBGE	
CO[C@H]1C[C@H](OC[C@@H](C)C(=O)NN)C[C@H]1OC	2301615113	VTCOUUAXZWAGAA-KYXWUPHJSA-N	246.307	-0.179	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1CN2C	2302021247	XRGHAEMKZLBOAR-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CC(C)[C@H](N)CNc1cc(B(O)O)c(F)cn1	2303847745	NOJNXIVEMOIMPK-SECBINFHSA-N	241.075	-0.704	50	10	BBGE	
NC[C@H]1CC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303854603	FDRREGZGLFHFMY-HZGVNTEJSA-N	240.043	-0.983	50	10	BBGE	
C[C@@H]1[C@H](O)CCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2304187877	VHGJBDIZPGMYBS-DJLDLDEBSA-N	241.096	-0.389	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1c1ncno1	2307495407	CVMUAZIJAGZWTF-MRVPVSSYSA-N	239.279	-0.023	50	10	BBGE	
Cc1nc(N(C)C2[C@@H](C)C[C@@H]2C)ncc1B(O)O	2316992573	BAEYTFMEEWFNQW-YUMQZZPRSA-N	249.123	-0.054	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1cc(B(O)O)ccc1F	2319330086	VRFWRTYMIUXORS-SNVBAGLBSA-N	249.050	-0.302	50	10	BBGE	
CN1CCN(CC(=O)NN=Cc2ccc[nH]2)CC1	2321250850	WJBZAOIPQDFOSD-UHFFFAOYSA-N	249.318	-0.288	50	10	BBGE	
O=C=N[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	19732414	YAZYJQMZAJIFHB-SFYZADRCSA-N	244.272	-0.890	50	10	BBGE	
CN(CCCl)S(=O)(=O)N1CCOCC1	71083126	ANWFVKOLGYNJRJ-UHFFFAOYSA-N	242.728	-0.266	50	10	BBGE	
O=C(O)CCC(=O)OC(=O)CCC(=O)O	80772238	GKRSGPHGTQNYAF-UHFFFAOYSA-N	218.161	-0.214	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCOCC1	82466046	RKEGMVDIFVSWAJ-UHFFFAOYSA-N	225.248	-0.285	50	10	BBGE	
COCCN([C@@H](C)C(=O)NN)[C@H](C)COC	82470589	DDJQIPMAATWVBR-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
CCO[C@H]1CCCN(CC(=O)NN)C1	82470906	XFDJBEIGXXLKPU-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C1CC[C@H](NC(=O)CCCCl)C(=O)N1	84404590	JDCFRWIYELUBJL-LURJTMIESA-N	232.667	-0.073	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(O)CC1	86313270	ZXVFWEGRBDDORI-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
N#C[C@H]1CN(CCCCCC(=O)NN)CCO1	93936529	RAHQNWGFPFIHLB-JTQLQIEISA-N	240.307	-0.239	50	10	BBGE	
CN(CCc1nnn[nH]1)C(=O)CCl	95180989	KSUREEJVPFRCNL-UHFFFAOYSA-N	203.633	-0.561	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ccccc2=O)O1	110579104	XKZUOSIQCTVUFL-BDAKNGLRSA-N	237.259	-0.614	50	10	BBGE	
CC[C@@H]1COCCN1Cc1cccc(B(O)O)c1	199008972	DAWOEDSHGLKVIM-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
CN(C)[C@@H]1CCN(Cc2ccc(B(O)O)cc2)C1	203116934	QBIXKFPRNSGHRC-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
N[C@@H](C(=O)N1CCC[C@H]1B(O)O)c1ccccc1	216727688	JCKSFPAAENVYOQ-WDEREUQCSA-N	248.091	-0.311	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@H]1C	252612177	WFIOMLUMKMLJMQ-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
O=C=NCc1ccc(N2CC(=O)NC(=O)C2)cc1	258335817	MLTXMQZFDRUREB-UHFFFAOYSA-N	245.238	-0.015	50	10	BBGE	
CN(CCOCCO)C[C@H](O)CCl	300990435	FUSINJURBBRHPI-MRVPVSSYSA-N	211.689	-0.473	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCOCCO	301048608	QQSGWNKEYPHVHK-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
Nc1ccc2c(B(O)O)csc2c1N	306899181	ZMRVXRARYUNLSK-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	307331513	PEJXNJBDRQSHST-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1CSCCN(C(=O)C(=O)NN)C1	307483586	HNDFYXPXQHOBSD-ZCFIWIBFSA-N	217.294	-0.812	50	10	BBGE	
C[C@@H](N)CC(=O)NNc1ncc(F)cn1	309365521	BBTIUQXFQYPCAM-RXMQYKEDSA-N	213.216	-0.204	50	10	BBGE	
COCC1(N2CC(=O)OC(=O)C2)CCC1	378811327	YYCKCQREOIIMLI-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
C/C(=N\NC(N)=O)[C@@](C)(O)CC(=O)O	379341348	MOJQHGSAMNVBSY-FGROQZRYSA-N	203.198	-0.744	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388194806	QHSFWCDVQVNCRB-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCn1cnc2c(c1=O)CCC2	395536624	JWMOLQWVASHDAL-UHFFFAOYSA-N	222.248	-0.888	50	10	BBGE	
Nc1ccc2sc(C(=O)O)cc2c1B(O)O	396235058	ALHALSLEVOECRI-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1csc2cc(B(O)O)c(O)cc12	396379937	IZUQKOHTQMPXFT-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COCCCCN(C)C[C@H](C)C(=O)NN	397142292	YMOZNDVZKAXWNF-VIFPVBQESA-N	217.313	-0.029	50	10	BBGE	
CN1CC[C@H](C(=O)Nc2ccc(B(O)O)cc2)C1	404919017	SFBDLUUWUWQHKB-VIFPVBQESA-N	248.091	-0.743	50	10	BBGE	
CC(F)(F)CC(=O)Nc1cccc(B(O)O)n1	404996214	GUHBDRYHCNCMJA-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
Cc1cc(NC(=O)N(C)C)cc(B(O)O)c1	405044759	YRSZQQQJBCLCJX-UHFFFAOYSA-N	222.053	-0.232	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC(F)CC2)O1	689093736	YMAVJRZPSYKUBR-VHSXEESVSA-N	245.298	-0.042	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C[C@@H](C)O)C1CC1	692096202	OSXKEFPGIBVTSO-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
O=C1OC(=O)[C@@H]2CC[C@@H]1N2[C@@H]1CCCNC1=O	703436001	KVDNCNIGYCIYQW-CSMHCCOUSA-N	238.243	-0.819	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](COC)C1	705869843	QIPKAVSSICQAFS-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(n2cccn2)C1	707399733	OEWUQHYUNWSVBZ-SSDOTTSWSA-N	209.253	-0.882	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CCO	710052600	CYIMIJLLRZOQJQ-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
CSC(C)(C)CN(C)C(=O)C(=O)NN	713899320	JYGMVXNBIQNNLP-UHFFFAOYSA-N	219.310	-0.424	50	10	BBGE	
Cc1nn([C@@H](C)CN(C)C)c(C)c1B(O)O	713937478	GEWAPZHPCVXDSL-ZETCQYMHSA-N	225.101	-0.698	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)c1cn(C)nn1	716755107	WMCVEIGJPDWQRS-ZETCQYMHSA-N	245.714	-0.286	50	10	BBGE	
OB(O)c1ccc(OCC[C@@H]2CO2)cc1F	718539522	ALRGYZHRFVTOFE-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
C[C@@H](CN1CC[C@H](C(C)(C)O)C1)C(=O)NN	721778255	PNYAZMMTINSXAC-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)Cc1ccc(B(O)O)cc1	724143182	WNWMVKJCYDBMFL-CHWSQXEVSA-N	249.119	-0.024	50	10	BBGE	
CCN(C)S(=O)(=O)NNC(=O)c1ccoc1	746055567	UHSZSTNZDHCNLW-UHFFFAOYSA-N	247.276	-0.290	50	10	BBGE	
COCC(=NNC(=O)[C@H]1COCCO1)C1CC1	754260048	SERSEIFPJWRABF-SNVBAGLBSA-N	242.275	-0.070	50	10	BBGE	
CCOCCOCC(=O)NNc1nc[nH]n1	816634287	CZKLLACZVNPFTD-UHFFFAOYSA-N	229.240	-0.699	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CC1)[C@H]1CCCS1	854984582	DRANOZRZUZHTFL-HTQZYQBOSA-N	244.316	-0.200	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccc(B(O)O)cc1	869621167	LWPRCDLFEKGWBW-UHFFFAOYSA-N	239.055	-0.156	50	10	BBGE	
C[C@H](NNC(=O)[C@@H](O)C(C)(C)O)C(F)(F)F	912898550	LTPRKXOBPIZPHC-CRCLSJGQSA-N	244.213	-0.310	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2cccnn2)cn1	1265352952	DIQGLUGVJCPUMZ-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
O=C(CCO)NN=Cc1cnn2c1CCC2	1327647569	GVZBECPAMNEYAA-UHFFFAOYSA-N	222.248	-0.338	50	10	BBGE	
CN(NC(=O)c1ccnc(O)c1)C(N)=O	1466167422	HAKOKOYDINEGQF-UHFFFAOYSA-N	210.193	-0.558	50	10	BBGE	
CN(NC(=O)Cn1cnc(N)n1)c1ccccn1	1470247123	YWANGZVKUONAKT-UHFFFAOYSA-N	247.262	-0.577	50	10	BBGE	
C/C(C#N)=C/CN1[C@H](C)C(=O)N(C)S1(=O)=O	1473022306	YDHLMKDDSZNFOS-RBMBQVQZSA-N	243.288	-0.136	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCNC(=O)CC1	1543985929	PZYQHMQMHQJKLT-SSDOTTSWSA-N	242.279	-0.747	50	10	BBGE	
O=C(NNC(=O)c1cnns1)c1cc[nH]n1	1584322332	OLGHXLBTUVAKRK-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
Cc1cc(=NNC(=O)Cn2cnc(N)n2)cc[nH]1	1630050380	CWUSFKAAUIGVJV-UHFFFAOYSA-N	247.262	-0.871	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-]	1640026724	ZKBYFWOJEJZPNV-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NN	1880024954	YDAJKJWNWPSSJN-LURJTMIESA-N	247.295	-0.360	50	10	BBGE	
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880030088	JDQSBHYBLFLOTN-ZETCQYMHSA-N	247.295	-0.142	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)CC(=O)NN	1884936847	QFMZAJSVAHVZIZ-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
O=C(OCCl)N1CC([C@@H](O)CO)C1	1887273864	QITXOLSOXUCJIM-LURJTMIESA-N	209.629	-0.396	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@H](O)[C@@H](O)C1	1887704650	PVXFOSDJFZKWLU-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](CCl)C(=O)NC1(CO)CC(O)C1	1890899815	JNCGAVSTSCJOKJ-SXJRXYEXSA-N	221.684	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@]2(CO)C1	1894284412	ZMROCUQQWOVUBL-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
CN1CC[C@@H](OCCCC(=O)NN)C1	1894991495	KWRRMTIFBRLTHG-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CN1CCO[C@@H]2CCN(C[C@@H](O)CCl)C[C@@H]21	1896221868	UAPSIXNVYVAVKA-GARJFASQSA-N	248.754	-0.009	50	10	BBGE	
O=C(O)[C@]12CCC[C@@]1(C(=O)NNCCO)C2	1898112749	QMMKQHVPCLXPLE-VHSXEESVSA-N	228.248	-0.756	50	10	BBGE	
CCCc1nnsc1CNC(=O)C(=O)NN	1899841308	YTTWXUFKPDDFNV-UHFFFAOYSA-N	243.292	-0.903	50	10	BBGE	
C#C[C@H](C)Nc1ccc(B(O)O)cc1C#N	1901201534	DCVXGXHZMGVPDH-QMMMGPOBSA-N	214.033	-0.328	50	10	BBGE	
CN(NC(=O)[C@H]1CCNC12CC2)S(C)(=O)=O	1901339785	TWKJEJCVTSYUFZ-SSDOTTSWSA-N	247.320	-0.949	50	10	BBGE	
CCNC(=O)[C@H](C)N1CC[C@@](C)(B(O)O)C1	1902528930	KKZHHGZGNSRIQH-WCBMZHEXSA-N	228.101	-0.550	50	10	BBGE	
C[C@H]1[C@@H](N(C)C(=O)C#CB(O)O)CC1(C)C	1902624927	YBXOWQXYWUGTPV-IUCAKERBSA-N	223.081	-0.105	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1Cc1nc(B(O)O)cs1	1902637589	NOZYWZNLVCZWTL-RNFRBKRXSA-N	244.100	-0.245	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccc(B(O)O)o1	1905066405	XQEOXAOMYKCNEK-OLQVQODUSA-N	227.000	-0.810	50	10	BBGE	
COC(=O)Nc1ccc(C)c(B(O)O)c1F	1905181912	YTJCROINGKVFHN-UHFFFAOYSA-N	227.000	-0.008	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@@H]1C[C@H]1F	1907455616	LSWMCPGHWPOJHF-RKDXNWHRSA-N	237.039	-0.029	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@@H]1OC	1907703768	FRZKHMDBPTYEPM-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COC[C@@H]32)cc1	1908818993	FLSSOGAQPXKDKF-PWSUYJOCSA-N	233.076	-0.803	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@H]2[C@H]1CO	1910400783	NSHMAXURUPTJEP-BIIVOSGPSA-N	249.261	-0.686	50	10	BBGE	
COC(=O)NS(=O)(=O)NCC=CCCl	1911656597	NNXJKOVWRQMBQH-UHFFFAOYSA-N	242.684	-0.028	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CCO)C1COC1	1915546330	VNBNTRYLESQKNS-JTQLQIEISA-N	245.323	-0.916	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2C[C@@H]21	1916276614	TUJDQLGPRJOJIX-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
O=C(NCB(O)O)C1(C(F)(F)F)CCC1	1927767838	STEIOSHVXWRQQG-UHFFFAOYSA-N	224.975	-0.153	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H](F)C1	1928181719	QFYFQJUHVCFKIB-QMMMGPOBSA-N	219.260	-0.573	50	10	BBGE	
CCc1nn(C)cc1C(=O)NNCCO	1929836505	KOIAPMOISNNWHN-UHFFFAOYSA-N	212.253	-0.791	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CC2)CO1	1930162304	UKKXAIKBGUBMAW-ZETCQYMHSA-N	215.253	-0.981	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC[C@@H](F)C1	1930622905	SJBKGEZNRLTGIY-CRCLSJGQSA-N	205.258	-0.011	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@]1(C)CO	1932967278	LPKAKJCBCLQXNY-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1CNC(=O)C(=O)NN	1935970397	PEOQQHZNGZKURM-BGZDPUMWSA-N	225.292	-0.225	50	10	BBGE	
N#CCCN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936083612	JGFFKPSCVVCBFZ-WCBMZHEXSA-N	222.292	-0.010	50	10	BBGE	
NNC(=O)COCCN1CC[C@H](C(F)F)C1	1936528928	JEWYWCKIELLDRA-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
CN(CC1CC(O)C1)CC1(C(=O)NN)CC1	1938247919	YODJVZKHAPXVOA-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@H]2CCCO2)CCC1	1941014865	CBTFFSUIVIEVHP-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc([N+](=O)[O-])nc1C	1941499082	PMSIJLFEPCZMEO-LURJTMIESA-N	243.223	-0.723	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)C[C@H]1CO	1945903591	CRODWBZYCAIHMT-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]23CCC[C@]2(COC3)C1	1947539564	CWCBSVGJRNERSN-YUSALJHKSA-N	239.319	-0.133	50	10	BBGE	
CC(C)C[C@H](OC[C@H]1COCCO1)C(=O)NN	1948420648	NIHQXXFKKHHIRR-ZJUUUORDSA-N	246.307	-0.177	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1C[C@H](O)C[C@H]1O	1956248622	OXTXWMAQYCVURY-ULAWRXDQSA-N	221.684	-0.138	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3C[C@H]3C2)n1	1956966686	YVMXCKAPLPHSKD-WDSKDSINSA-N	210.067	-0.721	50	10	BBGE	
CC(C)C(=O)Nc1ccc(B(O)O)cn1	1958189357	PEOUCZRFBCZKQU-UHFFFAOYSA-N	208.026	-0.644	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C[C@@H](O)CCl	1960155254	FZUYENARKHQUNN-JGVFFNPUSA-N	236.699	-0.967	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	1961571171	KAMVAJHNFUKLKT-KZVJFYERSA-N	213.281	-0.933	50	10	BBGE	
CCCCN(C)c1ncc(B(O)O)cn1	1961681864	WCDJOSCZGVXXPM-UHFFFAOYSA-N	209.058	-0.607	50	10	BBGE	
Cc1cnc(N2CC(C)C2)c(B(O)O)c1	1961718393	OEISYYZHFRWBHI-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
C[C@@H](NS(C)(=O)=O)c1cc(B(O)O)cs1	1974923347	PSFNCTVRUWXZHA-RXMQYKEDSA-N	249.122	-0.962	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@H](C(=O)NN)C(C)C	1979850197	WLNPMYNHMBHWSQ-ZJUUUORDSA-N	231.340	-0.050	50	10	BBGE	
CO[C@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1	1980294031	REBDGZVHPFHRGL-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@H](CF)C1	1981247919	JBHQHEXFUMQDPK-DJLDLDEBSA-N	233.287	-0.329	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1981995941	JBPICDIDQDXQFH-RXKWGBCNSA-N	225.292	-0.669	50	10	BBGE	
CC(C)(C)[C@]1(O)CCN(CCC(=O)NN)C1	1983789463	VYTUKVNONFTWNP-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CC1(Cn2cc(B(O)O)ccc2=O)CCC1	1984101083	GUJAHOXNRAMGQD-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
N#Cc1nccn1CCC(F)(F)C(=O)NN	1984128614	RKYPRPKNCZOKKS-UHFFFAOYSA-N	229.190	-0.230	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2[C@H](CCl)[C@@H]2C1	1985468576	VHGBUCNZDLDIBP-RNLVFQAGSA-N	241.682	-0.384	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1CCOC[C@@H]1C(N)=O	1985790576	QRSJNTREFHGPED-JGVFFNPUSA-N	248.710	-0.036	50	10	BBGE	
CO[C@@]1(CN(C)CCC(=O)NN)CCSC1	1987014257	GRPPRYAUMUUHIO-SNVBAGLBSA-N	247.364	-0.180	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@H]1CCN1C	1987092904	QBLVTKNITHRXGW-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NC[C@@H]2CCO2)[nH]1	1988370008	JNEANQMHVOJEOT-LURJTMIESA-N	243.698	-0.312	50	10	BBGE	
C=C(CN1CC[C@H](S(=O)(=O)CC)C1)B(O)O	1992154210	WKOGDDAUSGJLJG-VIFPVBQESA-N	247.125	-0.936	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC(N(C)C)C2)C1	2000465930	JIVAZJPPWAKJLS-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@H]2CC[C@@H]21	2002914125	FFIYBYURCVQBEG-UWVGGRQHSA-N	238.335	-0.465	50	10	BBGE	
C[C@H]1CCCCCN1c1ncc(B(O)O)cn1	2004910930	AJCUIKOKNQKVHA-VIFPVBQESA-N	235.096	-0.075	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1ncncc1B(O)O	2004921035	QNERCSWEFLAWQN-QMMMGPOBSA-N	233.080	-0.607	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)CC(C)(C)C(=O)NN	2008155076	GSWKHGSORRYVBJ-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)CN1CC[C@](O)(c2ccccc2)C1	2008257193	NXTXBZVWGJRLQF-GFCCVEGCSA-N	235.287	-0.430	50	10	BBGE	
COC[C@@H](OCCn1ccnc1C)C(=O)NN	2012465292	KAUBZDNMNMSZNX-SECBINFHSA-N	242.279	-0.787	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CCO[C@H]2C1	2012776635	WQGZTECYJANAOK-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
Cc1ncnc(C)c1CN(C)CCC(=O)NN	2014118457	YMZYQPDHCYSKHO-UHFFFAOYSA-N	237.307	-0.095	50	10	BBGE	
CC(C)(F)COCCn1cc(C(=O)NN)nn1	2017040058	XCGKZSIBZGVWJZ-UHFFFAOYSA-N	245.258	-0.354	50	10	BBGE	
C[C@@H]1C[C@@H]1CCC(=O)N[C@H](CB(O)O)C(=O)O	2017242554	MPRVGZQEKSNGMZ-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020068460	RNYMNCVRWRMHFJ-FXBDTBDDSA-N	239.080	-0.372	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2CC[C@H]3C[C@H]32)c1B(O)O	2052557018	QHYJMSPRQLUERP-IVZWLZJFSA-N	247.107	-0.300	50	10	BBGE	
Cc1ncnc(N(C2CCC2)C2CC2)c1B(O)O	2052558837	WCFLXKCBWCOCID-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCn2ccnc2C1	2076076869	SHOBHZUDGBWLSV-VIFPVBQESA-N	249.079	-0.870	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@H]1C1CCC1	2079930134	CSLISFBLMTXFAP-ZJUUUORDSA-N	248.091	-0.029	50	10	BBGE	
CO[C@H](C)CNc1cc(B(O)O)c(C)cn1	2212603603	HGDQOIBRUOTHHB-MRVPVSSYSA-N	224.069	-0.483	50	10	BBGE	
C#C[C@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212606736	YZFKXZQBOQZPPD-QMMMGPOBSA-N	218.065	-0.827	50	10	BBGE	
C#CC(C)(C)CNc1cc(B(O)O)ccn1	2212611311	ZCRHOOSBTKJTLH-UHFFFAOYSA-N	218.065	-0.167	50	10	BBGE	
C#C[C@@H](CCC)Nc1ncccc1B(O)O	2212611320	ZDTZGXPBFVIMPV-VIFPVBQESA-N	218.065	-0.025	50	10	BBGE	
COC[C@@H](C)CN(C)c1cc(B(O)O)ccn1	2217176537	XMCCCQSYMWUWBT-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CC1(C)C[C@H](N)CN1c1ncccc1B(O)O	2217179598	NCMNGSFEEXSHGE-QMMMGPOBSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cccnc1NCC1CCNCC1	2217182935	DTYMYKFJVBTPMV-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2217183172	JAUSIVUELAHDPJ-SVFDORGDSA-N	231.064	-0.777	50	10	BBGE	
Cc1cnc(N2CC[C@@H](CF)C2)cc1B(O)O	2217183190	JIXBEKBTSDDHOE-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
CC(C)(C)[C@@H](CN)Oc1ncccc1B(O)O	2217184879	RVSDWNHCDUZHOW-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
C[C@]1(O)CC[C@@H](Nc2ncccc2B(O)O)C1	2217194734	CGDIPQXYDRVNCW-KCJUWKMLSA-N	236.080	-0.523	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNc1cc(B(O)O)ccn1	2217201131	XCCLWQMOBMYPSF-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2221561504	LRTNMXFMGCSBSL-MPVQUNCYSA-N	249.314	-0.131	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CC[C@@H](CO1)C2	2223634829	OZTSUHFFQUGEMT-SKDRFNHKSA-N	248.091	-0.258	50	10	BBGE	
CN1CCC[C@@H]1CCN=c1ccc(B(O)O)c[nH]1	2223643876	BPKOPCMOYNCETP-LLVKDONJSA-N	249.123	-0.921	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3[C@@H](O)C[C@H]32)cc1B(O)O	2223651626	DGJBKBPHQNLAGV-GDPRMGEGSA-N	248.091	-0.971	50	10	BBGE	
OB(O)c1ccnc(NCCc2cnccn2)c1	2223665500	GKKUMJXWPZQXRC-UHFFFAOYSA-N	244.063	-0.794	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1COC2CC1C2	2223667140	QFRFWJWGGJBQEM-KYHHOPLUSA-N	248.091	-0.402	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1cccnc1	2223667459	SFEUMCYPXQEMQS-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
CCC1(Nc2ccc(B(O)O)cn2)CCNCC1	2223669877	PTAISPQZMWYKGB-UHFFFAOYSA-N	249.123	-0.295	50	10	BBGE	
C[C@H]1[C@@H](N)[C@H](C)CCN1c1ccc(B(O)O)cn1	2223672264	SULXDGRSEBYPNS-PTRXPTGYSA-N	249.123	-0.677	50	10	BBGE	
CC(C)NC(=O)c1ccc(B(O)O)s1	2241481193	PRMNKGUMFMQOKT-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CCC(=O)NN	2242152728	DAGDNAZAPCJWTG-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)[C@@H](N)CN[C@H]1C[C@H](Br)C1	2242407881	JOOPNALGEVQSQO-ZLUOBGJFSA-N	236.113	-0.686	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)cnc1C	2242872835	HOUAOTSRHKCTJU-ZETCQYMHSA-N	225.053	-0.516	50	10	BBGE	
C=C1CC(NC(=O)c2ncsc2B(O)O)C1	2243359081	OOOQSSHKVQRHOJ-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C(NCCCCCO)[C@H]1C[C@@H](B(O)O)C1	2243383201	VNYNLEBQYILILN-DTORHVGOSA-N	229.085	-0.482	50	10	BBGE	
CCN(C(=O)c1sncc1B(O)O)C(C)C	2243386196	WFPNRECMSJRVBI-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)O	2243396400	LSZKNBIXAKPGJI-BGZDPUMWSA-N	229.085	-0.485	50	10	BBGE	
C[C@H]1N(C(=O)C#CB(O)O)CCOC1(C)C	2243398808	HDKBHANUGZHRGS-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
CC(C)OC(C)(C)CNC(=O)C#CB(O)O	2243400872	IZFSDCFUIAXYFG-UHFFFAOYSA-N	227.069	-0.678	50	10	BBGE	
CC1(C)CN(C(=O)C#CB(O)O)CCCO1	2243401159	NBTKHRLQFHDPJJ-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
C[C@@H](CC[S@@](C)=O)NC(=O)C1(B(O)O)CC1	2243410668	FWUFXDYDJIVJDY-HYORBCNSSA-N	247.125	-0.733	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243415467	VMHAQAJLSRXDQQ-HLTSFMKQSA-N	229.085	-0.267	50	10	BBGE	
Cc1csc(C(=O)NOCCF)c1B(O)O	2243415670	ZPIXFLKJIGSBTB-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)co1	2244214906	ZAGCQHIPBODMCW-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CP(C)(=O)C1CN(CCOCC(=O)NN)C1	2244280381	YDGFIZCGSBWPQB-UHFFFAOYSA-N	249.251	-0.700	50	10	BBGE	
CC[C@H]1CCN1c1nc(OC)ccc1B(O)O	2247144486	VXIBASTZISHUKW-QMMMGPOBSA-N	236.080	-0.241	50	10	BBGE	
C[C@H](C(=O)Nc1cccc(B(O)O)n1)C(F)F	2247504646	SJEZVFAQIIUYOR-YFKPBYRVSA-N	244.006	-0.399	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CC(F)C1	2247731930	AXPXDOBDAQSBBD-UHFFFAOYSA-N	241.027	-0.502	50	10	BBGE	
CC(C)O[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247742085	KKWMXQGQZACHRT-JTQLQIEISA-N	239.080	-0.582	50	10	BBGE	
O=C(NCc1ccoc1)c1cc(B(O)O)c[nH]1	2247743580	GDRLFKAWEMKYSA-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
COC(=O)CN(C(=O)C1(B(O)O)CC1)C(C)C	2247755567	IWIJQWFIYPYNPE-UHFFFAOYSA-N	243.068	-0.597	50	10	BBGE	
CCN1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247756283	SIZSPOPOKBUSET-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1occc1B(O)O	2247758948	XSTYUEIZVXJICV-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
Cc1cnc(C(=O)NC[C@@H](C)F)c(B(O)O)c1	2247787723	SVZLSPYOAMJGBX-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
COC(=O)CCCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247791635	NZZVRUAAWZITRR-HTQZYQBOSA-N	243.068	-0.739	50	10	BBGE	
CO[C@H]1CCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247796657	BSZKZKUEKMFCMZ-BMNUFHGDSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247805364	JYGOGPAPLMLLML-KATARQTJSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	2247850017	IUVAXWNSZSFBAG-BBBLOLIVSA-N	237.064	-0.924	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCCO1	2247867191	AKKCIEAWIRNTPB-UHFFFAOYSA-N	239.036	-0.565	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccncc1B(O)O	2247871955	KAQJSAREJDHFDD-XVKPBYJWSA-N	234.064	-0.758	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247878586	OLQAZWLOPMDOQC-CZMCAQCFSA-N	241.096	-0.339	50	10	BBGE	
CNC[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247878653	MBFJUGJRDOGALA-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CCCN(CCC)C(=O)c1n[nH]cc1B(O)O	2247885477	MGINQJZTDJONNQ-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H]2CCC[C@H](C1)N2	2247887477	OPNPTOWDBXCLLX-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC23CC3)oc1B(O)O	2247890046	FHGLDIIKCRUTOO-MRVPVSSYSA-N	235.048	-0.450	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2247892202	VZSKEEAJTWTHEW-RTBKNWGFSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC=C(CO)CC1	2247897493	TYSJOZLYLHTHQR-MGCOHNPYSA-N	239.080	-0.610	50	10	BBGE	
C=C1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)(C(=O)O)C1	2248587577	RLPWBUAOKZSLIS-BQBZGAKWSA-N	239.036	-0.861	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1cocc1B(O)O	2249406809	IJDQAXJXHMTFHF-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H](F)C1	2249418285	RKGQEHCJKJAPGA-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
O=C(NCCC#CB(O)O)C1C[C@H]2CC[C@@H]2C1	2250007575	BGVPMMRWVFXILX-NXEZZACHSA-N	235.092	-0.056	50	10	BBGE	
C=CC1CN(C(=O)c2ncccc2B(O)O)C1	2251665180	YYJRIDPLGOAMNR-UHFFFAOYSA-N	232.048	-0.981	50	10	BBGE	
CC1CC(N(C)C(=O)c2ccncc2B(O)O)C1	2255448947	ILPWYTDDBHGBQQ-UHFFFAOYSA-N	248.091	-0.368	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H]3C[C@H]3C2)n1	2255478104	HUVUSKKWFWADRB-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)c(C)c1	2255514350	HKSBNTOJZQRVGZ-NSHDSACASA-N	243.071	-0.477	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@H]1C[C@H](B(O)O)C1	2255564952	RUMIZDFBWFZZEE-SYYDLXQQSA-N	247.103	-0.134	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1ccoc1B(O)O	2255715423	FMDQLOKBTQSGCC-SCZZXKLOSA-N	249.075	-0.265	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)c1cccnc1	2255722618	REBVICFQAMAICL-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)oc1B(O)O	2255780489	XCGVGZUJIGDXHZ-RKDXNWHRSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1O	2255955123	IYNFYJFTDLVDMC-XCBNKYQSSA-N	249.075	-0.448	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256016569	KKJKKMSPKQKRML-XCBNKYQSSA-N	249.075	-0.400	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC[C@@H](O)[C@@H](O)C1	2297204912	PVXFOSDJFZKWLU-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
NC(=O)NN=CC(=O)C=CN1CCOCC1	2297620165	UEUYLRMJDKSVSD-UHFFFAOYSA-N	226.236	-0.945	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C[C@@H]1CC[C@@H]1C(=O)NN	2298165609	NIUWVFXNECPYLK-GARJFASQSA-N	241.335	-0.295	50	10	BBGE	
CC1(C)CCN[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376098	HWNDKKLBZIIKTO-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
CC[C@@H](N)COc1ccc(C=O)c(B(O)O)c1	2301452115	CPKJTAQSWKIMGK-SECBINFHSA-N	237.064	-0.705	50	10	BBGE	
C[C@H]1OC2(C(=O)N3CC[C@@H](B(O)O)C3)CC1C2	2303104058	IMVWPVDAIXPCKP-DLMHNBQMSA-N	239.080	-0.371	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3CC[C@H]3C2)ncc1F	2303847349	HWSZNVVPCQFWAL-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3CC[C@H]3C2)ncc1F	2303847350	HWSZNVVPCQFWAL-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2304011242	LCZMBDAQSABCMP-BDAKNGLRSA-N	239.080	-0.299	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1cc(B(O)O)ccn1	2312612204	IINZHRPZKMSKQH-HLFFCZDVSA-N	247.107	-0.701	50	10	BBGE	
OC[C@]12C[C@H](CCN1c1ccc(B(O)O)cn1)C2	2314971899	ATDHNLXNFYIWAB-WVSHTKLVSA-N	248.091	-0.887	50	10	BBGE	
CCC(C)=CCn1cnc2c(B(O)O)ncnc21	2316530480	SAPUWRIAMPARTF-UHFFFAOYSA-N	246.079	-0.138	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)C(C)(C)N	2317168841	ZHQKLBKNSQLOSH-QMMMGPOBSA-N	247.107	-0.224	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1F	2319330262	XOTGJIQHVXUHCG-SNVBAGLBSA-N	249.050	-0.302	50	10	BBGE	
CNC(=N)NCCSS(=O)(=O)O	31331687	NCRVPKSUUBCYGU-UHFFFAOYSA-N	213.284	-0.734	50	10	BBGE	
CC(=O)C1=C2NCCN2C(CCl)=NN1	34520832	LGPDIBUVTNDAFW-UHFFFAOYSA-N	214.656	-0.195	50	10	BBGE	
NNC(=O)c1nnc2sc3c(n12)CCC3	77093050	MAFICUIFXWLGFB-UHFFFAOYSA-N	223.261	-0.117	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)CCOC	82470551	RHLIGDNRDBEQKJ-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CCN(CC(=O)NN)Cc1ccccn1	87333438	COXDRZJCELBIII-UHFFFAOYSA-N	208.265	-0.107	50	10	BBGE	
COCC[C@H](C)N1CC(=O)OC(=O)C1	113183539	LNEHUNPIGRFOJP-ZETCQYMHSA-N	201.222	-0.203	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2C[C@@H]2C1=O)C(=O)NN	118836128	WLVIBUWLHLXFNH-WDSKDSINSA-N	225.248	-0.993	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)C(C)C	131489760	AGXMMUROXJMCGL-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
COCCNC(=O)[C@H](C)NC(=O)[C@H](C)Cl	161794830	YVBSYIYCXMMZFB-BQBZGAKWSA-N	236.699	-0.119	50	10	BBGE	
COc1ccc(Cn2ccnc2C)cc1B(O)O	199006496	BJZZHHAHEDSILK-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
Cc1nnc(-c2ccc(B(O)O)cn2)o1	200996502	SIHSZLWBSFLSJO-UHFFFAOYSA-N	204.982	-0.880	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C1CC1	232419219	SLEJSRPRPUBMHC-CBAPKCEASA-N	215.297	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOCC1CC1	232420561	LJAVVMGNDWEYJC-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
CCS(=O)(=O)NC[C@H](Cl)C(=O)OC	233814948	WUKUOTXTYJJBJE-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
C=NNC(=O)C[C@@H](N=[N+]=[N-])C(=O)NN=C	238140223	TZDSBXULQBNCBI-SCSAIBSYSA-N	211.185	-0.481	50	10	BBGE	
CO[C@@H](C)[C@](C)(O)/C(C)=N/NC(N)=O	238371232	QTOMDNBWUJLWKQ-HDHNCBKCSA-N	203.242	-0.184	50	10	BBGE	
O=C(O)c1cc(Cl)c(B(O)O)cn1	238633074	KVLIEFKRQDTUSK-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	252446538	WMZKFSYQBDIGKM-JKUQZMGJSA-N	220.656	-0.939	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@@](O)(CO)C1	306274889	KGZLPLNXWOPNNH-ZETCQYMHSA-N	243.712	-0.668	50	10	BBGE	
CN(NC(=O)c1csnn1)C(N)=O	307222782	REUIPAXMXWHPLC-UHFFFAOYSA-N	201.211	-0.807	50	10	BBGE	
CCN1CCCN([C@H](COC)C(=O)NN)CC1	307861127	IOADHPPMTRGLHM-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
C[C@H](CC(=O)N(C)C)NS(=O)(=O)CCl	308696678	TVSFKIGRUHXVKF-ZCFIWIBFSA-N	242.728	-0.031	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)CCN	308868610	XXFPGQQSZNKZIO-UHFFFAOYSA-N	211.221	-0.302	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCC[C@H]2C3)CC(=O)O1	382938876	IBVTXXQRPXJRQW-VHSXEESVSA-N	238.287	-0.144	50	10	BBGE	
CC(=O)NCCCNC(=O)NC(=O)CCCl	383477763	NEWGRRNKPOMXCM-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
CO[C@@H]1C[C@@H](C(=O)NN)N(C(=O)C2CC2)C1	384161700	WBWUAINSWAXZFP-SFYZADRCSA-N	227.264	-0.998	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1CCCN(CCCl)C1	384438982	XIPTUUMBIRCAMA-MRVPVSSYSA-N	244.730	-0.253	50	10	BBGE	
O=C(O)CCc1ccc([N+](=O)[O-])cc1B(O)O	396059798	YXIPISFCWVHADJ-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
O=C(O)c1csc2c(O)c(B(O)O)ccc12	396386669	RFLDTDYRVFRHAZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCCC[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396457402	KOYPAQSZRSJMQL-NEPJUHHUSA-N	237.108	-0.083	50	10	BBGE	
CN1C(=O)CN(CCCCCC(=O)NN)C1=O	688948853	NUNQUTPRVUBYHM-UHFFFAOYSA-N	242.279	-0.569	50	10	BBGE	
COc1c(B(O)O)cc(C)nc1Cl	689673621	PJLPDLQSFLEUSZ-UHFFFAOYSA-N	201.418	-0.268	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	692095637	MDZKGRAHKJAVBN-PSASIEDQSA-N	229.324	-0.010	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)n1cnc([N+](=O)[O-])n1	695058338	DFXOVYFAMFURFM-LURJTMIESA-N	242.239	-0.237	50	10	BBGE	
CC(C)O[C@H]1CCN([C@H](C)C(=O)NN)C1	701686900	ZFPRLZJLVHQWMC-BDAKNGLRSA-N	215.297	-0.136	50	10	BBGE	
O=C(NCB(O)O)c1ccc2cc[nH]c2c1	701955195	LEWSMDUEDRRYKI-UHFFFAOYSA-N	218.021	-0.090	50	10	BBGE	
CC(C)OC1CCN(C(=O)C(=O)NN)CC1	702631379	CTQYLSMPGYJPPK-UHFFFAOYSA-N	229.280	-0.608	50	10	BBGE	
CN1CC[C@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703440540	ZESLGLBYUJFUNG-GUBZILKMSA-N	238.287	-0.146	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CCCC(=O)NN	706100153	AFFQDGYFWZNPDB-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CN1CC[C@H]1CNS(=O)(=O)CCCl	710290429	YGHQNOHPBZOENW-ZETCQYMHSA-N	226.729	-0.151	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNCCC1(F)F	717279230	MXBOIMQLOKXJTI-ZCFIWIBFSA-N	207.224	-0.176	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1CCCN2C	720443545	GDMBVRFTQDNJDS-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)c1ccccc1C	771904521	ZOQAULWYIUTBRD-UHFFFAOYSA-N	249.270	-0.108	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)[C@H]1CCCO1)C(C)C	817215935	BNQUJWMNRFRLEV-BDAKNGLRSA-N	244.291	-0.016	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862890845	FDDCJEMROJVQTJ-CIUDSAMLSA-N	244.291	-0.280	50	10	BBGE	
C#CC[C@@H](COC)NCc1ccc(B(O)O)cc1	863891760	BSZXKMFEEAHWSK-ZDUSSCGKSA-N	247.103	-0.506	50	10	BBGE	
CCNC(=O)NNC(=O)C12CCN(CC1)C2	900385833	GGQBOUJKZFUMRI-UHFFFAOYSA-N	226.280	-0.568	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(C)C1=O	910144453	IOTUQENUFZIHEI-IUCAKERBSA-N	243.307	-0.801	50	10	BBGE	
OB(O)c1cccc(F)c1CN1CC(F)C1	1232753919	APGBZLDDYLBKFS-UHFFFAOYSA-N	227.019	-0.341	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccccc1F	1466221720	FCFKKOBEVBNECU-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cnsn1	1471779229	OPTMWYVHPUIZDW-SYDPRGILSA-N	242.260	-0.930	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1	1540500455	GFJHNLUYNDHASR-JTQLQIEISA-N	223.232	-0.287	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cnc2c[nH]nc2c1	1629362723	RCIFRDGWXYPFEQ-SSDOTTSWSA-N	249.274	-0.085	50	10	BBGE	
N#CCCCNC(=O)NNC(=O)[C@H]1CCCO1	1671587700	OJNLMVACUOIMEP-MRVPVSSYSA-N	240.263	-0.200	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@@H]2C[C@@H]21	1877519214	AWSVUJPAAFAGOZ-RIKBEKRRSA-N	214.652	-0.119	50	10	BBGE	
O[C@@H]1CCN(CCBr)C[C@H]1O	1880342111	VYPLOFNMRHJBEU-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
C=C(Cl)COc1ncc(B(O)O)cn1	1885152317	DDNPUBKMGYOESV-UHFFFAOYSA-N	214.417	-0.712	50	10	BBGE	
NNC(=O)N1CCCC[C@H]1CC(N)=O	1886137382	JJFKPMLMPGWRKR-LURJTMIESA-N	200.242	-0.700	50	10	BBGE	
O=C(CCNCCO)NC[C@@H]1C[C@H]1Cl	1891641684	BGAOIFXAURCZAB-JGVFFNPUSA-N	220.700	-0.298	50	10	BBGE	
COC[C@H](NC(=O)[C@@H]1C[C@H]1Cl)C(N)=O	1893447282	WZHCWSMEGFKFRX-PBXRRBTRSA-N	220.656	-0.770	50	10	BBGE	
O=C(O)CN(CCO)C(=O)[C@@H]1C[C@@H]1Cl	1893470561	UTKJJRMUWVHFQV-RITPCOANSA-N	221.640	-0.481	50	10	BBGE	
CN(NC(=O)CCCN)S(=O)(=O)C1CCC1	1901348442	JGIPMXSNOZVLIT-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
O=C(CCl)N1CC[C@@]2(C[C@@H](O)CO2)C1	1901464096	ZDGRBQGNJKFKKD-VXNVDRBHSA-N	219.668	-0.023	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1906338726	FNBJLNFWXLYPNZ-JLLWLGSASA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1C[C@H]1CCCn1cccc(B(O)O)c1=O	1908542013	GIAJUTIRUSCDEF-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
CC[S@@](C)(=O)=NCc1cc(C(=O)NN)no1	1913887721	GNUHGFMICGHWMU-MRXNPFEDSA-N	246.292	-0.104	50	10	BBGE	
C[C@@H](CN1CC[C@](F)(CO)C1)C(=O)NN	1917088593	VRWVCGZZWBHZSG-IONNQARKSA-N	219.260	-0.981	50	10	BBGE	
C#C[C@H](COC)NS(=O)(=O)CCl	1923867286	TYPYMTNJXJUOIW-ZCFIWIBFSA-N	211.670	-0.250	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ccccc1B(O)O	1924099261	QRLOAOQSDNWRDS-SNVBAGLBSA-N	237.064	-0.270	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CC[C@H]21	1924378035	YXVHHNUBVKGKKP-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](CC#N)N(C)CC(F)(F)C(=O)NN	1927815723	ANPKHEZHCKBSJC-LURJTMIESA-N	220.223	-0.154	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@]2(CO)C[C@]2(CO)C1	1928562836	TWBBSCMLQQNVOM-LPEHRKFASA-N	230.695	-0.206	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@H](F)C1	1929909614	ICFKIQQBHOADTN-RULNZFCNSA-N	219.260	-0.985	50	10	BBGE	
Cc1nc(=N[C@@H]2CN(C)C[C@@H]2Cl)n(C)[nH]1	1930291118	IBVHTTADPAQYCU-JGVFFNPUSA-N	229.715	-0.121	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H](Cl)CF	1930556582	WAKMJIDCCWJXMO-RXMQYKEDSA-N	221.623	-0.634	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](O)C2)CC1	1931260387	LUJPOHGJRDMDRN-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C(N)=O)C1CC1	1932387475	WHJARFFNDYZBLX-UJURSFKZSA-N	204.657	-0.006	50	10	BBGE	
C[C@@](N)(B(O)O)c1cnc2sccn12	1934645210	BEZGDMSBPNHKOO-ZETCQYMHSA-N	211.055	-0.418	50	10	BBGE	
CCC(=O)N(C)Cc1sccc1B(O)O	1935213559	DTIGWIWYFBDXNF-UHFFFAOYSA-N	227.094	-0.204	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCCCO2)O1	1937124145	KVLQZBVRDTZUNM-RKDXNWHRSA-N	229.280	-0.449	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1937462645	LWRYDPKXGXYFFL-UJNFCWOMSA-N	227.308	-0.542	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CC(F)(F)C(=O)NN)C1	1939551473	DZCBJHUMJSMROR-KNVOCYPGSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOCC12CCC2	1941086406	RHEDXQCWDSSOIY-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H]2COC[C@H]21	1941090304	NTISREZUAVWGJQ-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
CN(CCn1ccnc1)CC1(C(=O)NN)CC1	1945882170	CWBOVXBSUQZJRA-UHFFFAOYSA-N	237.307	-0.415	50	10	BBGE	
CN(C[C@@H]1CCCN1C)CC1(C(=O)NN)CC1	1945883166	UZHNMTHPGGTAPY-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@H](O)CCl	1954178023	OFWSZLAYVWQZCE-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCc1nn[nH]n1	1954238154	DTHVWEMCRCZKQQ-SCSAIBSYSA-N	203.633	-0.167	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H](C)[C@H](O)CO	1954239849	QIBZCNIUTLZQAN-RRKCRQDMSA-N	209.673	-0.138	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCCNC(N)=O	1954506902	PBFZSFBCMSAPBK-RXMQYKEDSA-N	207.661	-0.212	50	10	BBGE	
COC1(CN(C)CC(=O)NN)CCCC1	1957519177	UXZIBINMWYGCNA-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)N1CCC[C@]12CCS(=O)(=O)C2	1958157459	HTMMGBJNOSMLSQ-MRVPVSSYSA-N	233.293	-0.777	50	10	BBGE	
O=C(CCCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958775755	WBTALRBPQQNYAP-BKFJMODKSA-N	233.695	-0.042	50	10	BBGE	
O=S1(=O)C[C@H]2C(n3nnnc3CCl)[C@@H]2C1	1962340181	AESJTPTVZZHWKX-RFZPGFLSSA-N	248.695	-0.373	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)C[C@H]1C(N)=O	1962375672	GMUSCRSWESWBHM-XVMARJQXSA-N	234.683	-0.549	50	10	BBGE	
C[C@H](COCC(F)(F)C(=O)NN)N(C)C	1974645584	GZSHDDLOKKQNJZ-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
C[C@H](CN1CC2(CC[C@H]2O)C1)C(=O)NN	1975356460	XFCBIFMKPVLIAE-HTQZYQBOSA-N	213.281	-0.931	50	10	BBGE	
C[C@@]1(CO)CC(F)(F)CN1CCC(=O)NN	1976215778	WDLWQPKZNDRMGP-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
CC1(C)C[C@@H](CCNC(=O)C(=O)NN)CO1	1976343714	XSTMOMIDIFPIHC-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
C[C@@H]1C(CN(C)CCOCC(=O)NN)[C@H]1C	1977235260	OVSCCIUKKBQUCE-IUCAKERBSA-N	229.324	-0.173	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCCCC[C@H]1O	1981406444	DRENLEFHODYGMB-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cccnc1N1CC2CC(C2)C1	1981422225	LQKDTTKOUHYHLA-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CC1(O)CCC1	1985212994	QFIRMYDRYFWROX-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
O=C1CN(C[C@]23CCOC[C@@H]2C3)CC(=O)O1	1990414618	JUKGFIZCPAKWTB-GZMMTYOYSA-N	225.244	-0.202	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cn[nH]c1	1991326132	DAPQMRHOBQEERQ-MRVPVSSYSA-N	221.025	-0.760	50	10	BBGE	
CN(C[C@H]1CNCCO1)C(=O)C=CC(=O)Cl	1991648575	QIJDIZFDHPXSPK-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
C[C@]1(CCO)CCN1CCCCC(=O)NN	1994707307	NZNKMBWOARXYCQ-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)n1	1995618929	OGRNBYZYMFYQOY-SHSVGROESA-N	237.089	-0.144	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H](O)C2)o1	2000934933	RPTKNAHNCRNKCJ-QMMMGPOBSA-N	237.259	-0.384	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	2002913377	BMCZEDOUGUUNIO-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCC[C@H]32)c1B(O)O	2004975029	SVCRSAIHCYZIAC-RKDXNWHRSA-N	233.080	-0.546	50	10	BBGE	
Cc1nc(N2CC[C@@H](CF)C2)ccc1B(O)O	2005018608	WHTRFDDICWZZGA-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
N#CC1=CCN(C(=O)C2(O)CCNCC2)CC1	2011921122	CMKZWELVSDGNJY-UHFFFAOYSA-N	235.287	-0.217	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1COCCOC1	2014495482	QTNXYVIVDDMJEQ-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
CC(C)O[C@]1(CN(C)CC(=O)NN)CCOC1	2014573810	SHCBDXMGEAEEOG-NSHDSACASA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NNC(C)=O)CC12CC2	2019214450	YQHJEZBIEIRYTQ-SECBINFHSA-N	241.291	-0.736	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1C(=O)NCC#CB(O)O	2021107543	TZPOMEDLIUPISB-HTRCEHHLSA-N	248.997	-0.294	50	10	BBGE	
C=C(Cn1cnc2ccccc2c1=O)B(O)O	2021158390	BFYXOQVANWXMSF-UHFFFAOYSA-N	230.032	-0.035	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CCC[C@@H]1COC2	2021404860	WNVVEZGLJHGXDX-AOOOYVTPSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@@]2(CO)C1	2021654575	KGFLZUUXQDUXTA-KLBPJQLPSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)CCN1CCC(C2(O)CCC2)CC1	2025073719	LTOYRYPEPSVQMZ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1ncccc1B(O)O	2025754164	SNFKWVTYNKIVJA-KWQFWETISA-N	238.071	-0.054	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]3CC[C@H]32)c1B(O)O	2052555898	JLVSIDTVYSYKCI-NXEZZACHSA-N	247.107	-0.156	50	10	BBGE	
C#CCOC(=O)NCCc1ccccc1B(O)O	2067539445	DOUWTJUOWJIWQK-UHFFFAOYSA-N	247.059	-0.732	50	10	BBGE	
Cn1nccc(NS(=O)(=O)CCl)c1=O	2209704906	FGRKRAKDWHYPHK-UHFFFAOYSA-N	237.668	-0.282	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccno1	2212089015	IISWLNHEQLGIQA-ZETCQYMHSA-N	222.009	-0.495	50	10	BBGE	
C=C=CCCN=c1cc(B(O)O)c(C)c[nH]1	2212604125	MNTRXXUBBUMSSV-UHFFFAOYSA-N	218.065	-0.365	50	10	BBGE	
CN(CC1CC1)c1nccc(B(O)O)c1F	2212605685	IUJJYJAJYGVGAE-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
CC1=CCCN(c2cc(B(O)O)ccn2)C1	2212609959	ABHZOEJEMMAVAV-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]2C1=O	2215774160	WARSIBIWWCEJMT-NGJRWZKOSA-N	237.259	-0.993	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216528075	LAHXIUKIBBDTBP-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2C[C@@]2(F)C1	2216611798	FYVSRFSUXRBPSE-OIBJUYFYSA-N	237.043	-0.905	50	10	BBGE	
C=CCOCCCN=c1cc(B(O)O)cc[nH]1	2217171741	DODSQSREQHIGJW-UHFFFAOYSA-N	236.080	-0.812	50	10	BBGE	
CC(C)[C@@H](CO)Nc1nccc(B(O)O)c1F	2217180640	IQGVSQDWCAANRO-MRVPVSSYSA-N	242.059	-0.671	50	10	BBGE	
CC[C@H](C)[C@H](N)COc1cc(B(O)O)ccn1	2217194475	WQFUPEDCUCWXTO-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
CC1(C)C[C@H](Nc2ncccc2B(O)O)[C@H]1O	2217197998	UVHHLUYTYHFXOW-DTWKUNHWSA-N	236.080	-0.667	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCNC23CC3)nc1	2217199313	LMHCRJZBVKTEPY-VIFPVBQESA-N	233.080	-0.932	50	10	BBGE	
C[C@@H](CNc1ncccc1B(O)O)OC(F)F	2217201137	OFNJFXZECROQJF-LURJTMIESA-N	246.022	-0.199	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCCNC1	2223629540	VDCIUELWDSDUPQ-GFCCVEGCSA-N	249.123	-0.437	50	10	BBGE	
Cc1cnc(N=c2cc(C)n(C)[nH]2)cc1B(O)O	2223642798	NPPWHVUPJYVZFI-UHFFFAOYSA-N	246.079	-0.723	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)C(C)(C)C1	2223673699	YVSNAKZJFFLVIZ-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ncccc2B(O)O)CCN1	2223675425	RAZHJNISYAFSDM-NXEZZACHSA-N	249.123	-0.662	50	10	BBGE	
O=C(NCC1(CO)CC1)C1(B(O)O)CCC1	2243347322	LNGWOCBBAXVISJ-UHFFFAOYSA-N	227.069	-0.728	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCCOCC1	2243350088	VJZPSRVKYGXOGJ-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
CCC1CN(C(=O)c2ccsc2B(O)O)C1	2243359301	QMWGREKAFYGMGO-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
C=C1COC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381806	IYMQWDQTOQADME-HRDYMLBCSA-N	225.053	-0.689	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243397100	VMUNFUPRQPFGRJ-UYXSQOIJSA-N	227.069	-0.515	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CC(F)C2)C1	2243397336	ZBSBCVHNVIEJTJ-SFYZADRCSA-N	227.044	-0.190	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)o1)C(C)C	2243400570	DDGQZQPJKRPTTC-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CCN1C	2243415639	ZGIDYFSNLNHOCW-BZNPZCIMSA-N	226.085	-0.942	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](CC)C1CC1)B(O)O	2243420398	RRDVOANYLWJGOO-SECBINFHSA-N	247.125	-0.337	50	10	BBGE	
OB(O)C1CCN(Cc2cccnn2)CC1	2244170315	GMDOHGPIULBOOL-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
CCC(C)(C)NC(=O)c1cocc1B(O)O	2244206069	RDKDYDQMNOGZSO-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
O=C(C[C@H]1C=CCC1)NCCC#CB(O)O	2244550221	OLNGRYMNVVNVTL-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
NCc1cn(CCNC(=O)[C@H]2C[C@H]2Cl)nn1	2244563135	BBVCDBILDGBRDU-JGVFFNPUSA-N	243.698	-0.520	50	10	BBGE	
CC1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2247752290	MLSBMVVEJKJBAT-UHFFFAOYSA-N	237.039	-0.403	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CCC2)[C@@H]1O	2247757644	RBYBDCHHUHRXCV-YUMQZZPRSA-N	241.096	-0.341	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247785939	SSPXWSQHDILIFO-GMSGAONNSA-N	237.068	-0.992	50	10	BBGE	
N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247797480	JZWGKAUGIJPQNT-HTQZYQBOSA-N	231.020	-0.245	50	10	BBGE	
O=C(NCc1ccc(O)cc1)[C@@H]1C[C@H]1B(O)O	2247804786	IOCZDBJAFPXTPJ-NXEZZACHSA-N	235.048	-0.129	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247809672	QLBBORGFIHGSFO-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H](CNC(=O)C1CC(B(O)O)C1)C1CC1	2247809805	RKVBJZFCLYJWKY-UDNWOFFPSA-N	241.096	-0.219	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1B(O)O	2247810150	VFDVKJSGVJPYRA-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H](c1ccncc1)N(C)C(=O)C#CB(O)O	2247848482	MLKOWYUUQMJRFI-VIFPVBQESA-N	232.048	-0.384	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247858656	GSMBHLSDNLNARJ-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)oc1C	2247867757	LVLLSXDOABYKET-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N(C)OC	2247871834	IELSDFOVTJRWCM-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2N1C(=O)C1(B(O)O)CCC1	2247877276	FJQNFNJIEVSACZ-SFYZADRCSA-N	237.064	-0.079	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)oc2C)CC1	2247879917	WTFVJZCTVWORGH-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1O)C1CC(B(O)O)C1	2247893337	QEZWADFDFSVDMD-HORUIINNSA-N	241.096	-0.341	50	10	BBGE	
Cc1nc(C(=O)N[C@H]2CCC=C2B(O)O)no1	2248416289	PVGOCMPCNBGRSP-ZETCQYMHSA-N	237.024	-0.791	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)C1CC(B(O)O)C1	2248585379	KHKNESVUMZIYCV-KAVNDROISA-N	243.068	-0.391	50	10	BBGE	
CCN(CCOC)C(=O)c1cc(B(O)O)co1	2249433515	NGFIJEHXKNAZEX-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(F)cc1B(O)O	2255501765	DMUPFQOKVNCAFM-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ncccc1B(O)O	2255515579	ZXWILXJIBKELTI-HTQZYQBOSA-N	246.075	-0.710	50	10	BBGE	
CC=CCCCNC(=O)c1ccc(B(O)O)cn1	2255516458	MAXJYAZFBFQKGR-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1O[C@H]2CC[C@H]1C2	2255522504	KPAXIYVZMAXEOU-YUMQZZPRSA-N	248.047	-0.930	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1c[nH]nc1B(O)O	2255551565	ZIAIDMJPQCTMAU-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ncc(C)cc1B(O)O	2255556092	KNWMUFQVQWMSPM-WPRPVWTQSA-N	248.091	-0.402	50	10	BBGE	
O=C(NCCc1ccnnc1)[C@H]1C[C@@H](B(O)O)C1	2255556199	LZUOFTISHMFYOQ-AOOOYVTPSA-N	249.079	-0.612	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1nccc(C)c1B(O)O	2255581308	NSTZSBNKABMMMM-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
CCC1(CNC(=O)c2ccc(B(O)O)cn2)CC1	2255717854	PRIWHARFSPUINN-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(C)cc(B(O)O)c1	2255736957	WXTQFEOIBNYQRT-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1cc(C(=O)NCC2CC=CC2)oc1B(O)O	2255779946	ODALGTIZELNYOF-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369646	AMWKBKXJJQQOCL-SGIHWFKDSA-N	240.112	-0.422	50	10	BBGE	
N[C@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370711	IKHNRRJEFKUBMK-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
CCN(CCCCCCC(=O)NN)CC(N)=O	2300624551	CIKSFJCZXJFMAW-UHFFFAOYSA-N	244.339	-0.266	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301479023	MOMFBYUQTPAWLP-VGBILLHSSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cc(=NCC2CCCC2)[nH]cc1F	2303848321	XOVDUDZTVNTFJW-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
C#CCN(CC#C)c1ccc(B(O)O)cc1C#N	2317151239	OKZRKOUNLCMVTA-UHFFFAOYSA-N	238.055	-0.689	50	10	BBGE	
C[C@@H](NC(=O)C(C#N)=CNCCCl)C(=O)O	2324969514	QQBOEJLXULCZSY-ZCFIWIBFSA-N	245.666	-0.188	50	10	BBGE	
Cc1cccc(NC(=O)NN2CCC2)c1B(O)O	2327694219	HLDLURCQZHZZHH-UHFFFAOYSA-N	249.079	-0.583	50	10	BBGE	
C[C@@H](C(=O)NN)n1nnc2ccccc21	6182828	QGIUVYZXULHHOK-LURJTMIESA-N	205.221	-0.018	50	10	BBGE	
CC(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@H]12	44005140	PGHHRSUGQVYXDF-OFHVYEONSA-N	237.211	-0.854	50	10	BBGE	
CNC(=O)CCNC(=O)NC(=O)CCCl	45014427	XZCDNUTXBDCOGP-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
NNC(=O)CCOc1ccccc1C(N)=O	82464228	ZYGCQUQDTOGRTM-UHFFFAOYSA-N	223.232	-0.456	50	10	BBGE	
C[C@H](CC(=O)NN)N(CC(N)=O)C1CCCC1	104111918	YXRVGJKUWDYJCW-MRVPVSSYSA-N	242.323	-0.515	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](C(=O)NN)C(C)C	110589079	OJJGLLCXRKSJQO-JTQLQIEISA-N	244.339	-0.541	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@]1(C)CCCO1	131030357	VGUQUKXDXODJBP-JTQLQIEISA-N	229.280	-0.736	50	10	BBGE	
OCCn1cc([C@H]2OC[C@@H](CCl)O2)nn1	134974512	WMKMSZONMGYQKH-SVRRBLITSA-N	233.655	-0.077	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CCC(=O)NN)C1	159485347	YKGWTDKWMWZSDE-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C(=O)CCl)C2)N1	167883102	XXFDGNKVZIDEPC-MRVPVSSYSA-N	231.639	-0.964	50	10	BBGE	
O=C([C@@H]1CCCN1)N1CCC(B(O)O)CC1	207044161	MUTLAWCKLMYYAW-VIFPVBQESA-N	226.085	-0.796	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NCCNC(C)=O	216977307	ALCMCMHEKKBNSF-NTMALXAHSA-N	238.291	-0.354	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@@H](O)C1)c1ccccc1	227000952	CRSHVVAFSQDCCX-NEPJUHHUSA-N	249.314	-0.173	50	10	BBGE	
CC(C)(CN(CCO)CC(F)F)C(=O)NN	231593059	SCFSTZMEIFJYSG-UHFFFAOYSA-N	239.266	-0.438	50	10	BBGE	
COCCN(C1CC1)[C@@H](COC)C(=O)NN	232419781	ASOUODYXAJNDEX-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCSCC1	232420101	IATDPUYJYYJKNH-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
OB(O)c1cccc(OC(F)(F)F)c1O	238626296	WALVBMKBVOLXJR-UHFFFAOYSA-N	221.927	-0.029	50	10	BBGE	
C[C@@H](CO)N(C)Cc1ncccc1C(=O)NN	305930792	JRPRTSSFXPOEEG-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
C[C@@H](NC(=S)NNC(N)=O)C1CC1	306446859	SSTPPQRPRHOTMK-SCSAIBSYSA-N	202.283	-0.168	50	10	BBGE	
C[C@H](Br)C(=O)NCc1n[nH]c(=O)[nH]1	307206807	IXHPIPAFJSPKRE-VKHMYHEASA-N	249.068	-0.502	50	10	BBGE	
CS(=O)(=O)n1nncc1CBr	307234961	FIEVSZXAYJLYKQ-UHFFFAOYSA-N	240.082	-0.019	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CCCS1	307300090	RXZQCHZVEFMARQ-RXMQYKEDSA-N	204.251	-0.978	50	10	BBGE	
NNC(=O)c1cn([C@@H]2CCCNC2)cn1	381616920	VWGIVKVWPNFXBA-SSDOTTSWSA-N	209.253	-0.589	50	10	BBGE	
NNC(=O)CCCCCN1CCOCCC1=O	382414610	KXKHTAAJIXHYAI-UHFFFAOYSA-N	243.307	-0.214	50	10	BBGE	
CCN(CC(F)F)[C@H](COC)C(=O)NN	387012907	YFPUPUCMKKRFAK-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1[C@@H](C)C(=O)NN	389457216	ZDXZSKMWDRYMFI-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
CCCCNNC(=O)[C@@H]1COCCN1	389937424	NLKNRTQJYCNPLZ-QMMMGPOBSA-N	201.270	-0.604	50	10	BBGE	
CN(C)C1CN(CCCCCC(=O)NN)C1	394458053	PAYCAXHVEIJJIT-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC(=O)NCCCNC(=O)NC(=O)[C@@H](C)Cl	394741894	NFVIRQDQUVDPLR-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC(O)CC1	395826659	XQPRPSBNUHSBEM-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
O=C(CCl)Cc1cccc(O)c1B(O)O	396023806	PYNIWXZLESFNDX-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCOC[C@H]1C	398960346	YLPMLYTUTCUEHN-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1OCC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584968747	MZLZNIGWJHAKSP-KWQFWETISA-N	249.075	-0.726	50	10	BBGE	
CO[C@@H]1NC[C@@H](Br)N=C1NN	605704149	JIONHRRPTIBURW-UCORVYFPSA-N	223.074	-0.855	50	10	BBGE	
CCN1CC[C@@H](N(C)[C@H](C)CC(=O)NN)C1	689049212	SYGRFMQBQZPTPK-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
N#CC1(O)CCN(C(=O)CNC2CC2)CC1	692114178	OUDHDWYZLGZZTB-UHFFFAOYSA-N	223.276	-0.385	50	10	BBGE	
O=C(NCc1nc(O)n[nH]1)OCCl	692882622	YJYIFFQILXJGGY-UHFFFAOYSA-N	206.589	-0.067	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC(CO)(CO)C1	694660257	XRXGSAIKJZOYHM-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)C(=O)NN)[C@H]1CCO	697208947	RQSGBNPXINWOEF-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccnn1	699052906	ZHFBSKILILHUTJ-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C[C@H](Cl)C#N	699188411	UEOJJJHXLVPNPA-IWSPIJDZSA-N	218.684	-0.065	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CCC(=O)NN	706100761	DQRRBCHJTLSAQX-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CN(C)C[C@@H]2C1	706202461	KCSFSJXSGLYTCD-ZRUFSTJUSA-N	240.351	-0.506	50	10	BBGE	
C=C(Cl)Cn1nc(C)c(B(O)O)c1C	710722706	HRHGIWXPIAJXEU-UHFFFAOYSA-N	214.461	-0.068	50	10	BBGE	
NNC(=O)CN1[C@H]2CC[C@H]1CC(CO)C2	719153501	CRQFKDDRDJKCCM-IUCAKERBSA-N	213.281	-0.788	50	10	BBGE	
CCC/C=C\C(=O)NNC(=O)[C@@H]1COCCO1	744640831	DPGBZLYDQDXZLR-WBSSQXGSSA-N	242.275	-0.095	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NN(C)[C@@H](C)CO	823384158	CYQCWQUVGSUWOC-XLPZGREQSA-N	202.254	-0.635	50	10	BBGE	
CN(CCCl)[C@@H]1CC[C@@H]2NNC(=O)N2N1	953055364	MOLWDQOFWUNEGJ-RNFRBKRXSA-N	233.703	-0.363	50	10	BBGE	
OB(O)c1ccc(Cc2cc[nH]n2)cc1	1082176600	IKOFRKFHOJGIJO-UHFFFAOYSA-N	202.022	-0.320	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1136046530	XLYHSUVGJIYVOQ-RQJHMYQMSA-N	213.237	-0.945	50	10	BBGE	
CCc1nc(C)c(C(=O)NNC(=O)CO)o1	1183078255	HWJCZGCLDNZKND-UHFFFAOYSA-N	227.220	-0.701	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)C(=O)NC1CC1	1261839320	AFASWVMHIGYQHW-UHFFFAOYSA-N	237.259	-0.788	50	10	BBGE	
C[C@H](C(=O)NNC(=O)CO)C1CCC1	1306821513	UHTUXSGTDSBCQT-LURJTMIESA-N	200.238	-0.438	50	10	BBGE	
O=C(CO)NN=C1CCC[S@](=O)CC1	1327681087	RPZIXUCIJYNIQH-AWEZNQCLSA-N	218.278	-0.617	50	10	BBGE	
CCCNC(=O)NNC(=O)Cc1nc[nH]n1	1442416000	PEJAZRMIBIGSDH-UHFFFAOYSA-N	226.240	-0.912	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2ncccn2)c1	1464015141	GQGZGXGSIXHAES-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CCNC(=O)CC1	1597965856	LFEFASUWWMLPBJ-SSDOTTSWSA-N	242.279	-0.795	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC	1630972392	LCPWTOYSEOFWIS-NTSWFWBYSA-N	229.236	-0.854	50	10	BBGE	
OC[C@]12C[C@@H]1CN(C[C@H](O)CCl)C2	1883942747	KVUJUNARAUNDFZ-IWSPIJDZSA-N	205.685	-0.100	50	10	BBGE	
NNC(=O)N1CC[C@@H](c2nncs2)C1	1892753933	SBEPYWNBTUHIGE-RXMQYKEDSA-N	213.266	-0.089	50	10	BBGE	
NC1(CNC(=O)C2CC(Cl)C2)COC1	1893490498	HUTYHVJBLAWESQ-UHFFFAOYSA-N	218.684	-0.152	50	10	BBGE	
O=C(C[C@@H]1CCC[C@@H]2C[C@H]12)NCB(O)O	1893984186	PHJKDXZLUUOSFO-VGMNWLOBSA-N	211.070	-0.059	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@H]1F	1895381594	INULINWGEKPAIA-HTRCEHHLSA-N	223.012	-0.337	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCC(F)(F)C(=O)NN	1896025820	CNKPUTRKBOBCBK-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@@H]2C1=O	1898879896	HLFSUOPAZNXPOK-VQVTYTSYSA-N	225.248	-0.850	50	10	BBGE	
O=C1NCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1Cl	1899577486	KMINAGDOJYPXKT-VQVTYTSYSA-N	216.668	-0.134	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](C1)O2)C(=O)NN	1902714972	BJGYKORNBPBFST-WCABBAIRSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCOC2)ncc1F	1903010564	REDTVBLQLASWCW-LURJTMIESA-N	227.000	-0.932	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCO[C@@H]1C	1907732988	JFKKABUCKDEHTK-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	1913630602	SOYAJJCUYLHRRP-RNFRBKRXSA-N	220.037	-0.644	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)C23CCC3)CC1	1914398615	MJQMISSXMSSSBE-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
COC(=O)[C@@H](Br)CNOCC#N	1930364653	ZKDZCSBFGALVIF-YFKPBYRVSA-N	237.053	-0.032	50	10	BBGE	
COC[C@@H](C(N)=O)N1C[C@@](C)(CCl)C1=O	1932162426	VUGGUTQGGFOPFI-IMTBSYHQSA-N	234.683	-0.426	50	10	BBGE	
Cc1cc(C(=O)NCB(O)O)c(C)cn1	1933160179	KENBWELEEMYQEC-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1934072267	SCEPCYSZSTVKIE-BRPSZJMVSA-N	213.281	-0.382	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOC12CCCC2	1935978315	ABMSBBWOMJDRDB-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
Cc1c(C(=O)N[C@H]2COC[C@@H]2Cl)nnn1C	1936102598	GXCPSQNNRURDQU-BQBZGAKWSA-N	244.682	-0.140	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCOCC(=O)NN)CO1	1936535481	SRAFYSVMQKTCTJ-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H]1COCCN1CCOCC(=O)NN	1936536324	QGSYEDMIOIZDGS-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2COCC[C@@H]21	1941372207	HXOMDQOBHJGXMK-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
CC[C@@]1(O)CCCN(CCOCC(=O)NN)C1	1941773176	TXUGDADECLSVKO-LLVKDONJSA-N	245.323	-0.770	50	10	BBGE	
NC(=O)[C@H]1COCCN1CCBr	1953623729	XOQRULRUDQXAND-ZCFIWIBFSA-N	237.097	-0.433	50	10	BBGE	
C[C@@H]1CN(S(C)(=O)=O)[C@@H](N=C=O)CO1	1956389424	PRBRCLQORIUAOK-RNFRBKRXSA-N	220.250	-0.671	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)[C@H](CN)C1	1957257954	XGESCLCWVJBPNW-DTWKUNHWSA-N	216.716	-0.308	50	10	BBGE	
Cc1nnc(O)n(C[C@H](Cl)C#N)c1=O	1957345652	GMRRDOJTDHHZBQ-RXMQYKEDSA-N	214.612	-0.217	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	1957685464	JZKWMFTUSANIHQ-CDDJKKQXSA-N	209.293	-0.047	50	10	BBGE	
CCN(C)C[C@H]1CCN(CC(=O)NN)C1	1961278779	XWBVMJNKKSEZFX-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
CCCN(C)c1nc(C)ncc1B(O)O	1961719039	XAQFPTUGBVUTKZ-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(=O)NC(=O)[C@H]1C	1962389314	DAEWFBHJQJPYNM-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)c2nc[nH]n2)CC1	1972001447	WILFBNAWHCRFAT-UHFFFAOYSA-N	239.260	-0.351	50	10	BBGE	
O=C(NNCCO)c1ccnn1C1CC1	1975050580	IOPIGPPYVTUZOX-UHFFFAOYSA-N	210.237	-0.555	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2CCN2)CC1	1979101548	MMKZZPKMEGFSBP-SECBINFHSA-N	223.276	-0.385	50	10	BBGE	
C[C@H]1CC(N(C)CC(=O)NN)C[C@H](C)N1C	1979536666	BZIAEBLRDADUHF-IUCAKERBSA-N	228.340	-0.221	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1980538561	VIMIHXCIZWRTHL-ODANAHCNSA-N	227.264	-0.129	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H](F)[C@H](F)C1	1981425121	CHQXQOCCFVDETL-OCAPTIKFSA-N	228.007	-0.742	50	10	BBGE	
Cc1nn(-c2ncccc2B(O)O)cc1Cl	1981465366	MPFPEUHQANNZKC-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CN(c1nc(B(O)O)cs1)c1ccnn1C	1981557906	RQESNMRDCSRZNL-UHFFFAOYSA-N	238.081	-0.676	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	1982122113	SCGOEQQHJPVELU-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)CC1(C)C)C(=O)NN	1986377509	CPYZRKSZFPZTKC-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CO[C@]1(CN(C)[C@H](C)C(=O)NN)CCSC1	1987015728	VLTJXEQTUGOCPL-SCZZXKLOSA-N	247.364	-0.181	50	10	BBGE	
O[C@H](CNC[C@H]1C[C@H]1Cl)CN1CCOCC1	1991441954	JOPZFBFQUYNUHY-GMTAPVOTSA-N	248.754	-0.104	50	10	BBGE	
O[C@H](CNC[C@H]1C[C@@H]1Cl)CN1CCOCC1	1991441956	JOPZFBFQUYNUHY-MXWKQRLJSA-N	248.754	-0.104	50	10	BBGE	
C=C(CN(C)Cc1ccnn1CC)B(O)O	1992167853	QSHOCMXPGVBAFP-UHFFFAOYSA-N	223.085	-0.097	50	10	BBGE	
CC1(C)COCC[C@]1(C)NC(=O)C(=O)NN	1992184692	SGZRMSHREKKDFQ-JTQLQIEISA-N	229.280	-0.702	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1993463298	CYTCPTHIIWQUMH-SFYZADRCSA-N	229.324	-0.154	50	10	BBGE	
CN(CCC#N)Cc1c(C(=O)NN)cnn1C	2003505641	FKSSHQHWRSAHMW-UHFFFAOYSA-N	236.279	-0.631	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCc2c(ncn2C)C1	2003937709	HOBAYHADACSMPJ-VIFPVBQESA-N	237.307	-0.453	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1ccc(B(O)O)cn1	2004911015	BNYVODGTKJKIPI-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
C[C@@H]1C[C@]1(C)CN(C)c1ncncc1B(O)O	2004916430	LODNOIYZPMTZER-LDYMZIIASA-N	235.096	-0.361	50	10	BBGE	
COC1CC(N(C)c2ccc(B(O)O)cn2)C1	2004917225	VXVBHNJBRHMHHV-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC(C)(C)C2)n1	2005014060	FYGTWBCKLYVHSG-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
COC[C@H](C)N(C)c1ncc(C)cc1B(O)O	2005017941	MIQQSMUSMOUPJT-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3COC[C@H]32)CC1	2006153229	ICSNBZMPAXODPJ-ILWJIGKKSA-N	236.271	-0.244	50	10	BBGE	
C[C@@H](CC(F)F)Cn1cccc(B(O)O)c1=O	2008844702	REAQSTBVRVYKMG-ZETCQYMHSA-N	245.034	-0.181	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C(C)C	2011348800	OYSZCLXDFYIDDM-UTLUCORTSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2nncc2C1	2013644756	USSUDMYKSONPHY-HTQZYQBOSA-N	238.295	-0.892	50	10	BBGE	
CCOC1CCN(CC(=O)NNC(C)=O)CC1	2019208610	BARVGPHBHOXOEX-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
COC[C@@H]1CC[C@@H](C(=O)NCC=CB(O)O)C1	2020062870	VDDKHXZTTFQKTQ-NXEZZACHSA-N	241.096	-0.267	50	10	BBGE	
COC1(C(=O)Nc2ccc(B(O)O)cc2C)CC1	2047744700	FLLZSUKCDZIKDJ-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
CCc1cnn(Cc2c(C(=O)NN)cnn2C)c1	2050247308	RYMSNNBZCYOQAW-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
CN(Cc1nccn1C)c1ccncc1B(O)O	2052487356	MMMPKRGTOGCSQB-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cncnc1-n1cnc2c1CCCC2	2052605251	WIIBVJFXQFSZSV-UHFFFAOYSA-N	244.063	-0.779	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)c1ncccc1B(O)O	2056384960	ROPNTDOLXVLQAS-IQJOONFLSA-N	248.091	-0.768	50	10	BBGE	
COc1c(B(O)O)cc(C)cc1C(=O)O	2065276225	XYJXLOBDPUHXCJ-UHFFFAOYSA-N	209.994	-0.618	50	10	BBGE	
COCc1cccc(C(=O)NCC#CB(O)O)c1	2077437740	BKUIFRBMBJOGLF-UHFFFAOYSA-N	247.059	-0.422	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2079519340	NLWUVNDBSIYIJO-IUCAKERBSA-N	249.079	-0.613	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CSCCO	2209328107	RJBZTQWYQXSAKB-BQBZGAKWSA-N	204.295	-0.272	50	10	BBGE	
C[C@H](N)CSCC1(C(=O)NN)CCOCC1	2212444281	GOUOSWUFQLUASK-QMMMGPOBSA-N	247.364	-0.147	50	10	BBGE	
C[C@H](Sc1nccc(B(O)O)c1F)[C@@H](C)O	2212600610	XEYCSLBABSZBJP-RITPCOANSA-N	245.084	-0.238	50	10	BBGE	
CC(C)(N)CCNc1cc(B(O)O)ccn1	2212603989	SYKBATGKUOXKMR-UHFFFAOYSA-N	223.085	-0.699	50	10	BBGE	
CN[C@H](C)CCNc1ncccc1B(O)O	2212610365	HNYDHYBANYCROI-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
C#CC(C)(C)N(C)c1cc(B(O)O)ccn1	2212610452	IXOOQEHMEJOHHD-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
CN(C[C@H]1CCCC(C)(C)O1)C(=O)C(=O)NN	2214353949	FKQUWSGAYNKUHD-MRVPVSSYSA-N	243.307	-0.218	50	10	BBGE	
CN(C[C@H]1CCN1C)CC1(C(=O)NN)CCC1	2216534461	OAIBFKZSXYCRMT-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
C[C@H]1[C@H](O)CN1CC1(C(=O)NN)CCCCC1	2216873582	YLWIILHYRRMKOS-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CC1CNC1)Nc1cc(B(O)O)ccn1	2217172695	LSZDZTURUMHNHR-MRVPVSSYSA-N	235.096	-0.829	50	10	BBGE	
NC[C@@H](Nc1ccc(B(O)O)cn1)C(F)(F)F	2217175931	PHXGQHMWDFWQTQ-ZCFIWIBFSA-N	249.001	-0.937	50	10	BBGE	
C[C@@H]1CC(F)(F)CN1c1cc(B(O)O)ccn1	2217176128	RRDSTYUCKDBJKV-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
CN1CCC[C@H]1CNc1cc(B(O)O)ccn1	2217177982	PTASBGUSAHUWJZ-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
CCC(F)(F)CCN=c1ncc(B(O)O)c[nH]1	2217178301	UHRBDIUPCQVJOH-UHFFFAOYSA-N	245.038	-0.574	50	10	BBGE	
Cc1cnc(NCc2ncco2)cc1B(O)O	2217180450	HSFWTMFYDTZVSN-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C[C@@H](CCCCO)Nc1cc(B(O)O)ccn1	2217199937	PNTOHFWCTGFIGN-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CC(O)C3)C2)c1	2220067555	LWEMWZPRSPSXMT-UHFFFAOYSA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CCO[C@@H]3C2)c1	2223628957	SFIHBRLNEYKQHF-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
Cc1cc(CN(C)c2cc(B(O)O)ccn2)on1	2223634325	JEXDEUZWYHXXNJ-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@H]1CCCNC1	2223645678	BKNOHDJOMBDQBQ-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
COc1ccc(Nc2ncccc2B(O)O)cn1	2223665539	GSDPWUBXLZSLAQ-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)C23CCC3)c1	2223673088	WDGRBBDGAKSGBM-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
C[C@H](NS(=O)(=O)N1CC(Cl)C1)[C@@H](C)O	2241331556	LQXBUFWRPJGZGO-NTSWFWBYSA-N	242.728	-0.487	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccccc1	2241468987	YGBJXDDXRZPVHK-UHFFFAOYSA-N	203.006	-0.682	50	10	BBGE	
COC(=O)c1sc(C)c(C)c1B(O)O	2241494058	TZPGDBYMZPRENV-UHFFFAOYSA-N	214.051	-0.169	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)sc1C	2241494116	UPQHCNSXZKQNMQ-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
Cc1nccnc1C(=O)NCC=CB(O)O	2242963897	TVHPBXCKNVNBSU-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C[C@H]1F	2243346619	BMBJKJNAYVTCNL-RNFRBKRXSA-N	227.000	-0.892	50	10	BBGE	
CC(=O)NC(=O)c1cc(Cl)ccc1B(O)O	2243367162	OQESNQLZPYANPB-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
CCC(C)(C)NC(=O)c1sncc1B(O)O	2243385671	MPQAGIMNNOJQDO-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
C#CCN(CC=C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243391372	JYWZCSMLGUHOEO-MGCOHNPYSA-N	221.065	-0.113	50	10	BBGE	
Cn1ccnc1NC(=O)C1CC(B(O)O)C1	2243391949	POZVWERKQYQZDL-UHFFFAOYSA-N	223.041	-0.388	50	10	BBGE	
Cc1nnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243392735	WMSMPYFPXDBLMA-WDSKDSINSA-N	241.081	-0.674	50	10	BBGE	
NC1CC(CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243397289	YJJIPXBHSFKJSS-ABIFROTESA-N	226.085	-0.907	50	10	BBGE	
CCONC(=O)c1cccc(B(O)O)c1F	2243397933	LMNDRABXSPNMHH-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
CC[C@H](C)[C@H](CNC(=O)C#CB(O)O)OC	2243401510	SFGDSZALUWRMFK-IUCAKERBSA-N	227.069	-0.821	50	10	BBGE	
C#C[C@H]1CCCCN(C(=O)C#CB(O)O)C1	2243404507	PKXQZQDGECAQCW-JTQLQIEISA-N	219.049	-0.736	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cscc1B(O)O	2243410833	ISLPJMWXTSPYIL-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1F	2243413432	GCJHQVPXMNAWOV-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)[C@@H]1C[C@@H]1B(O)O	2243426975	OITCRNOQCLAMHC-HLTSFMKQSA-N	226.085	-0.892	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427141	QYUFACYPCDXPEI-NRPADANISA-N	229.085	-0.628	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ccncc1B(O)O	2247732488	GIAAIBGDNIYIMZ-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
N#Cc1cccc(CNC(=O)C#CB(O)O)c1	2247740004	DYXLQXCHWKMLLU-UHFFFAOYSA-N	228.016	-0.810	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(CCC2)C1	2247740058	FOPWWEGBWCJHEE-UHFFFAOYSA-N	235.048	-0.415	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CC2)CC12CCC2	2247754489	DWLLPLBXADOWIA-QMMMGPOBSA-N	238.096	-0.667	50	10	BBGE	
CC1=CCN(C(=O)c2occc2B(O)O)CC1	2247755768	KZMORATXYZWTPH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)cn1C	2247756902	HOSIZYGIZPUXLF-UHFFFAOYSA-N	236.080	-0.599	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC(F)C1	2247760825	OHSVVUIUNJVKEB-UHFFFAOYSA-N	237.039	-0.531	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](CN2)C1	2247785753	QDTIREUHUXRBLN-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
C=CCO[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786721	FTVDIASTUIOMSX-LPEHRKFASA-N	241.096	-0.053	50	10	BBGE	
CC#CC[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788042	YISDOHSENODNIX-KXUCPTDWSA-N	239.080	-0.870	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247806521	FRCUPUAXESWWKB-RGOKHQFPSA-N	241.096	-0.364	50	10	BBGE	
CC(C)CCNC(=O)c1ccncc1B(O)O	2247872191	OEFJXWLKDPWEKV-UHFFFAOYSA-N	236.080	-0.463	50	10	BBGE	
C=CC1(NC(=O)c2ccncc2B(O)O)CC1	2247872408	RHMHYQXETDAWAJ-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
CC(C)(C)C[C@H](CO)NC(=O)C1(B(O)O)CC1	2247879862	YLFTXLQGEROTON-MRVPVSSYSA-N	243.112	-0.093	50	10	BBGE	
COC1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247887454	OJVYBKIWXQOMRF-IUCAKERBSA-N	239.080	-0.513	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247895359	RJSRXXVBVRJEPF-NGZCFLSTSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H](F)CNC(=O)c1ccc(B(O)O)cc1O	2247985874	NTZHOZPPNBXSSN-ZCFIWIBFSA-N	241.027	-0.840	50	10	BBGE	
CC#CC(=O)Nc1ccc(OC)cc1B(O)O	2248414618	MPHPBKFLWIJCCP-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C(=O)O	2248575555	BAHWCTBRPJSDMA-XUTVFYLZSA-N	241.052	-0.829	50	10	BBGE	
O=C(O)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2248579019	XBMDAFDQOOTTAJ-JGVFFNPUSA-N	241.052	-0.828	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248584894	CRPPIQBPBNANIV-RNFRBKRXSA-N	243.068	-0.439	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC=C(F)F	2248597773	CSAZSZZWYOXAJR-UHFFFAOYSA-N	244.990	-0.222	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)co1	2249418610	WIJAEHGUVNIEFM-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
CN(CC[C@H]1CCO1)c1cc(B(O)O)ccn1	2253176267	KHZYERDMMKMDSO-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCCC[C@H]21	2255472566	GPSXGDHJFGUONY-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3ccc(B(O)O)o3)[C@H]1C2	2255670718	ZWBODMQKEAODKW-DNSOKLHBSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1C=CCCCC1)c1cc(B(O)O)c[nH]1	2255681445	ZHPPWCFQFVEIPS-JTQLQIEISA-N	248.091	-0.077	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3ccoc3B(O)O)[C@@H]1C2	2255714076	LSQINROUQDUEPO-YGOYTEALSA-N	249.075	-0.122	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1cncc(B(O)O)c1)C2	2255734470	BILLWQIWQQQUQK-BXKDBHETSA-N	246.075	-0.757	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC23CCC3)oc1B(O)O	2255787457	ZMQYGHIUHAHKPZ-VIFPVBQESA-N	249.075	-0.060	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H](O)[C@H]1C2	2298168283	XFUHTSOFNXDPDJ-OGBGREFGSA-N	239.319	-0.542	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298369815	GMKBFNNIKKLDMS-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC(F)(F)C1	2298371779	VNOHBABYZZDAKT-FSDSQADBSA-N	248.038	-0.956	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	2299331341	JYGDPDBWOIFCND-ZDCRXTMVSA-N	239.319	-0.376	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	2301124249	KZIAPGPGVHYZBK-FXPVBKGRSA-N	241.335	-0.152	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@]23C[C@H](CO2)[C@H]13	2312856906	YTPWISHFRYKJCG-CNVPUSNMSA-N	249.075	-0.924	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1c1ccc(B(O)O)cc1C#N	2317151581	SFYMDMYXPWMRJI-UFBFGSQYSA-N	246.075	-0.802	50	10	BBGE	
CCn1cnc(COc2ccc(B(O)O)cc2)n1	2319263774	LLPSSWGJZPWHOM-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
NNC(=O)C(=O)Nc1c(F)cccc1F	36948268	GRUOQCZKYJHYMW-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
NC(=O)NNC(=O)Cc1cccc(O)c1	70044648	HMHKQIFUWKZIMB-UHFFFAOYSA-N	209.205	-0.366	50	10	BBGE	
Cc1ccnn1C[C@H]1CC[C@H](C(=O)NN)O1	70687603	FUEYSTKVSYFINV-RKDXNWHRSA-N	224.264	-0.271	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cc(C(=O)NN)co1	82468166	JMAISNANZLAPPW-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
C[C@@H](CN1CC[C@H](N(C)C)C1)C(=O)NN	82469340	ZHVUMVDEFFYVPX-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
CCOC(=O)CSC[C@H](C)C(=O)NN	82472480	NVXUAXPODJXUSP-LURJTMIESA-N	220.294	-0.091	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	86190419	MUPASKMSESLBQJ-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CC(C)(CN1CCC(=O)CC1)C(=O)NN	86597831	FSBUHEATAPONRF-UHFFFAOYSA-N	213.281	-0.333	50	10	BBGE	
C[C@@H](C[S@](C)=O)NC(=O)NC(=O)CCl	135304659	HUELWRRZAVVSSN-OVZGEXIGSA-N	240.712	-0.182	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc(CO)cc1	139273519	GYMMLYDYBMIEEG-UHFFFAOYSA-N	209.205	-0.893	50	10	BBGE	
Cc1ccc(CNC(=O)C(=O)NN)cc1F	148126654	GXJDQUUIJFFWCX-UHFFFAOYSA-N	225.223	-0.260	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCO2)[nH]1	157869267	OKLIYOOYOURTLK-SECBINFHSA-N	248.242	-0.174	50	10	BBGE	
COC(=O)[C@@H]1CC(=O)NN(C(=O)CCCl)C1	170274783	BAJJMNVZUHHIFL-ZCFIWIBFSA-N	248.666	-0.332	50	10	BBGE	
COC[C@@H](C)NCc1ccc(B(O)O)s1	203614494	NPFSZKAOIJIAIO-SSDOTTSWSA-N	229.110	-0.448	50	10	BBGE	
CCN(CC(N)=O)Cc1ccoc1C(=O)NN	231828556	PIUZQNUUAFIJHS-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
NNC(=O)[C@@H](N)CC(=O)OCc1ccccc1	306347666	FKXONHDYAQKIIS-VIFPVBQESA-N	237.259	-0.563	50	10	BBGE	
C[C@@H]1N[C@H](N)NC(=S)[C@H]1Br	306450219	YWRIIVZMQQOZJN-FFKNPPMGSA-N	224.127	-0.099	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COC[C@@H]2Cl)nn1	307622317	HBECOKJNEBHKIU-FSPLSTOPSA-N	230.655	-0.449	50	10	BBGE	
O=C1O[C@@H]2[C@@H]3[C@@H]1[C@@H]3[C@H](O)[C@H]2Br	307659377	SUTMOCMMWLPLHZ-KCOWRGFASA-N	219.034	-0.088	50	10	BBGE	
CC(=O)O[C@@H](C)c1ccc(B(O)O)cc1	308994271	WUEFUENVZKPPNB-ZETCQYMHSA-N	208.022	-0.010	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@](C)(CN)C1)C(=O)NN	309446401	POGNFZZVQMAUPE-WCABBAIRSA-N	228.340	-0.471	50	10	BBGE	
CN(C)C1CN(CCCCC(=O)NN)C1	382337293	ILXGFJKOGBCBBW-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
CCN(C[C@H](C)OC)[C@@H](C)C(=O)NN	383037060	IHKPIMDJCZMHIA-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
Cn1cc([C@@H]2CCCN2C(=O)C(=O)NN)cn1	383699734	SBTPHJWTAVGDAD-QMMMGPOBSA-N	237.263	-0.927	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388194807	QHSFWCDVQVNCRB-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
CCN1CC(N=c2[nH]c(CCl)nc(=N)[nH]2)C1	393910041	RYBHYCHDHHXNCW-UHFFFAOYSA-N	242.714	-0.439	50	10	BBGE	
CC(=O)NCCCNC(=O)NC(=O)[C@H](C)Cl	394741893	NFVIRQDQUVDPLR-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
Nc1cc(B(O)O)cc2cc(C=O)sc12	396278359	VBMUKNOYBBELPW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1c(O)c(B(O)O)cc2sccc12	396374768	BQMNDWNBLKJEAM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccncn1	396601437	BGACJUFCLKXLGD-ZETCQYMHSA-N	209.253	-0.713	50	10	BBGE	
C[C@@H](c1ncon1)N1CC(=O)OC(=O)C1	397968606	ZAYWXZIEOMCIMT-YFKPBYRVSA-N	211.177	-0.484	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CCCCC(=O)NN	399406023	IKAJQFMRVXIWNV-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnns1	400024715	NIWSDMJTRYQGPA-SSDOTTSWSA-N	229.309	-0.262	50	10	BBGE	
CCOC(=O)NCc1cc(B(O)O)cs1	405130965	GAXAMFVFPAOHRB-UHFFFAOYSA-N	229.066	-0.326	50	10	BBGE	
C[C@H](NC(=O)NC1CC1)c1ccc(B(O)O)cc1	405153855	UWTKXVKOHNBLPM-QMMMGPOBSA-N	248.091	-0.111	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	497263432	KROBPEFKAIGSQP-RRKCRQDMSA-N	214.221	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCO)CC1CC1	690925039	AGJRSHNSTUPZAX-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnccn2)CC1	692113181	KQOMLQIRAXXDIY-UHFFFAOYSA-N	232.243	-0.033	50	10	BBGE	
C[C@H]1CN(C)CCN(C[C@@H](C)C(=O)NN)C1	708291316	QNXOOVXRQMVCRW-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CO	708470980	YYJBLZVHBIECNA-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
COCCN(C)NC(=O)C[C@@H](C)NC(N)=O	848055720	FWMRMEYOHXIMFD-SSDOTTSWSA-N	232.284	-0.957	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@](C)(CO)OC	848267878	VHURBWMXUAUHKP-OALRPVAKSA-N	242.275	-0.056	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H](O)C1CC1	854636116	DYCARSLWXRSQSP-SFYZADRCSA-N	228.248	-0.916	50	10	BBGE	
C#C[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1	854777559	GFMUAGDYVIAIIN-FGUAACIASA-N	244.254	-0.563	50	10	BBGE	
N#CC(C#N)=CNNC(=O)[C@H]1CCCO1	1117697884	QECVKGQEXXJZNT-MRVPVSSYSA-N	206.205	-0.283	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCCCl)CO1	1260059347	HSNLJEZXBGFTPU-ZCFIWIBFSA-N	241.696	-0.150	50	10	BBGE	
N#CCCNC(=O)NNC(=O)Cc1ccccn1	1322227239	NUTVMTRFSQMPRH-UHFFFAOYSA-N	247.258	-0.132	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CCC[C@@H](F)C1	1325911092	XSDQGJJYHFPVEO-NKWVEPMBSA-N	218.228	-0.346	50	10	BBGE	
O=C(C[C@H]1CCNC1=O)NNC(=O)NC1CC1	1334748915	YSMFIHSQGCJTDM-ZCFIWIBFSA-N	240.263	-0.995	50	10	BBGE	
NC(=O)CCC(=O)NNc1ccnc(F)c1	1611423169	NUTOXNUYEQTUNJ-UHFFFAOYSA-N	226.211	-0.071	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cnnc(O)c1	1635718282	CTHRRMQTTMDFHN-UHFFFAOYSA-N	248.242	-0.253	50	10	BBGE	
O=C(Nc1nn[nH]n1)[C@H]1C[C@H]1Br	1877356855	WRQUFKIAUHIQAX-STHAYSLISA-N	232.041	-0.078	50	10	BBGE	
N[C@H](CBr)[C@@H]1COC[C@H]1N	1880036522	UAZXKWRFZMREKC-KVQBGUIXSA-N	209.087	-0.318	50	10	BBGE	
C=C(CN(C)[C@@H]1CCSC1)B(O)O	1883732428	FFNVUCWFCNDYNZ-MRVPVSSYSA-N	201.100	-0.008	50	10	BBGE	
CCS(=O)(=O)N(C)n1cnnc1CCl	1888571298	GDNMANGVCXIZRK-UHFFFAOYSA-N	238.700	-0.066	50	10	BBGE	
C[C@H]1[C@H](C)N(CC(=O)NN)CC[C@H]1O	1892768782	YFCYQHQHJMHPPP-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
N[C@@H](CCNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893452707	HIRWQILNLCIUQG-ZLUOBGJFSA-N	220.656	-0.468	50	10	BBGE	
CC1CC(=O)N([C@H](C)CC(=O)NN)C(=O)C1	1894124706	FIKSMRBUSMWSNK-SSDOTTSWSA-N	227.264	-0.460	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@@H](O)C1	1902670409	PUYIBLILKAGNTA-JGVFFNPUSA-N	222.053	-0.913	50	10	BBGE	
C[C@@H](CN1C(=O)CC(C)(C)C1=O)C(=O)NN	1912236752	HNHLRAXFKZDDAW-LURJTMIESA-N	227.264	-0.603	50	10	BBGE	
COc1ccc2c(c1)[C@@](N)(B(O)O)CC2	1912277479	DKJCLSBWFJETMW-SNVBAGLBSA-N	207.038	-0.193	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](CC(F)F)C1	1916672457	NOELGIJMVDPENZ-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@]2(CCO2)C1	1932811295	AYZOHKUQJGJURQ-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSc1nccnc1N	1936095340	WGBMYDGGUNUDHE-PHDIDXHHSA-N	239.304	-0.223	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2COCC[C@@H]21	1936287532	WXEMKQQWPSCBHY-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(C(N)=O)CCN(C)CC1	1939291250	KJNKNNWVHLBIOF-ZETCQYMHSA-N	247.726	-0.320	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@]23CCOC3)CC(=O)O1	1939705701	OKTICHAMNVKLSU-KWQFWETISA-N	225.244	-0.202	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1CC(O)C2	1941079764	QRNLXBSAORKTEJ-FTYOSLGDSA-N	239.319	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@H](O)CC[C@H]2C1	1941090702	QDLAJEGHFMUSHJ-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
CC(C)N1CCN(CCOCC(=O)NN)CC1	1941783892	FYWZTAXLVKWUHX-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
COc1ccc(CN(C)[C@H](C)C(=O)NN)cn1	1950958583	OCFRRQNLAYAZKQ-MRVPVSSYSA-N	238.291	-0.100	50	10	BBGE	
COC(=O)[C@H](Br)CN1CC(N)C1	1953567495	DJZPGRUKVDTDIF-ZCFIWIBFSA-N	237.097	-0.434	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955547283	NEUSUARMBVJHRE-QMGXLNLGSA-N	216.668	-0.457	50	10	BBGE	
Cn1cnnc1Sc1nc(B(O)O)cs1	1961722289	GMBVDIKWDADRMC-UHFFFAOYSA-N	242.094	-0.897	50	10	BBGE	
NNC(=O)CN1C[C@@H](O)C2(CCCC2)C1	1962239942	NRAPBVGBPWMARX-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@H]1F	1975254286	CWLLGKRGOILCHF-PRJMDXOYSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)C(=O)NCc1cnc(C2CC2)o1	1976808215	GMWZYWYXLZVQRJ-UHFFFAOYSA-N	224.220	-0.842	50	10	BBGE	
CN(C)C1(C)CN(CC2(C(=O)NN)CC2)C1	1976832501	HTSFFDSPPJHCLA-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)NN	1980742594	XUYNUERDQYXELH-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC=C(CO)CC1	1980966328	HBPSLCYUOYBMBU-UHFFFAOYSA-N	235.234	-0.764	50	10	BBGE	
Cc1nc2n(c1C)CCN(CC(=O)NN)C2	1981047335	ZYERQACLNYGYGK-UHFFFAOYSA-N	223.280	-0.695	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1C1CC1	1981411105	HIYFTHQDNDDVBI-SECBINFHSA-N	219.053	-0.855	50	10	BBGE	
CCCCN(C)c1ncnc(C)c1B(O)O	1981445337	HDLIEUAOJWOXMS-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	1984031580	PUDMNQBINZOXRY-UTINFBMNSA-N	227.308	-0.400	50	10	BBGE	
COC1(C)CN(CCC(F)(F)C(=O)NN)C1	1984130769	YESOLSADLAEVIL-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H](C)C(F)F	1986282383	QBXYFQCOZBEGQF-BQBZGAKWSA-N	239.266	-0.176	50	10	BBGE	
CC(C)=C(C)Cn1cccc(B(O)O)c1=O	1989651641	KOVDKOZZTNIYPN-UHFFFAOYSA-N	221.065	-0.116	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)nc1	1991330430	LUATXRLCTVULFS-UHFFFAOYSA-N	220.037	-0.312	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](O)C1(C)C	1991461243	PSZQJPPVCIDSPA-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2OCCO[C@@H]2C1	1991701153	COJQXNSKKJPDAC-SRLPBZNGSA-N	245.662	-0.066	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@@H](CO)CCC1(C)C	1994867473	HYASFXANHLGEHT-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1996925968	IEDPLJTVZPMQES-SNVBAGLBSA-N	244.314	-0.517	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CC2(CCC2)CO1	2001711718	YVLCGYQWBIINTQ-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@]1(C)CO	2003267143	HYXCPDGZRLTYIT-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CC(C)(CN1CCn2ncnc2C1)C(=O)NN	2003924383	DBYKBMOBWDCUOP-UHFFFAOYSA-N	238.295	-0.890	50	10	BBGE	
NNC(=O)C(=O)N1CCC([C@H]2CCOC2)CC1	2004394111	PRNWHOBWHRUQNL-VIFPVBQESA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)c1occc1CN1CCO[C@H]2C[C@H]21	2004485671	BHXOJNGISUKCPR-BDAKNGLRSA-N	237.259	-0.144	50	10	BBGE	
CC[C@H](C)CN(C)c1ncc(B(O)O)c(C)n1	2004975049	TUPMRPYLZWPIGL-QMMMGPOBSA-N	237.112	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@@H]32)n1	2005014829	RGIDYBPXHACNMK-SCZZXKLOSA-N	233.080	-0.546	50	10	BBGE	
CC(C)(CCN1C[C@H](F)[C@@H](CO)C1)C(=O)NN	2008032397	XQQCYGHZUULJQE-BDAKNGLRSA-N	247.314	-0.345	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOC[C@@](C)(CO)C1	2022237353	FXZUDIDFZQZIIJ-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1CC1(C(=O)NN)CC1	2025477070	XJCNKKGLTDJHDQ-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2028425799	LCFZXCXNZDRCNY-OCAPTIKFSA-N	247.063	-0.755	50	10	BBGE	
NNC(=O)c1cncc(CN2CCC23COC3)c1	2051854395	SEMOCCKIFQBRJG-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
OB(O)c1cccnc1N1CC(n2ccnc2)C1	2052493435	ZWDCQOHHNBIXKV-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
O=Cc1c(B(O)O)ccc([N+](=O)[O-])c1Cl	2060134279	VEKIXIYHYVUWEZ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCOc1cc(C=O)cc(B(O)O)c1[N+](=O)[O-]	2060147645	LRTWOGSHXVSXNU-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCOc1c(C=O)ccc(B(O)O)c1C#N	2060188012	ZBKBDKLOMMDZOM-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CC12CC(COc3cncc(B(O)O)c3)(CO1)C2	2082661496	GWXKLRBDEKDPTH-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
C[C@@H]1COC[C@H]1OCc1cc(B(O)O)cs1	2211072705	PLNOLKZOFORJPA-GMSGAONNSA-N	242.105	-0.021	50	10	BBGE	
C[C@@H]1CC[C@H]1Cn1cccc(B(O)O)c1=O	2211480105	HSPOTZHYLCIPFC-BDAKNGLRSA-N	221.065	-0.426	50	10	BBGE	
CCN(CCCO)CC1(C(=O)NN)CCC1	2212259799	AAWXBVHMHJPRJI-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2C[C@]2(F)C1	2212305300	FUSXBJVGUKJRNT-WPRPVWTQSA-N	229.255	-0.412	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2212602783	JTUBHMGRIZMGFS-HTQZYQBOSA-N	221.069	-0.964	50	10	BBGE	
C#CC1(CNc2ncccc2B(O)O)CC1	2212604823	ZKZFCZIXQSKETH-UHFFFAOYSA-N	216.049	-0.413	50	10	BBGE	
C[C@H](CCO)Nc1nccc(B(O)O)c1F	2212605029	WOWIVZWLSBEEQL-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1F	2215773646	UAMZIQFTAMQKEF-AXTSPUMRSA-N	245.298	-0.329	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2215776106	KXAOUOMRNHHTPH-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC[C@H](C2)O3)c1	2217171317	AMXMZDAFRMAOES-AOOOYVTPSA-N	234.064	-0.871	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCNCC1	2217174221	XMLFSMURPWUQMI-VIFPVBQESA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@H]3OCC[C@H]23)nc1	2217182222	AQGMXYDMJBGIGE-KKZNHRDASA-N	234.064	-0.792	50	10	BBGE	
Cc1cnc(NC2CCNCC2)cc1B(O)O	2217182607	FPHUQQVURXBQAS-UHFFFAOYSA-N	235.096	-0.766	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)CC(F)F	2217184052	MDNLJCUJTDVDGY-ZCFIWIBFSA-N	245.038	-0.719	50	10	BBGE	
N[C@H]1CCC[C@@H](Oc2ncccc2B(O)O)C1	2217185451	XPHOXTCGUGGMBA-DTWKUNHWSA-N	236.080	-0.590	50	10	BBGE	
CC(C)[C@H](Oc1cc(B(O)O)ccn1)[C@@H](C)N	2217191182	RHEHJKQFDFEPQI-KCJUWKMLSA-N	238.096	-0.488	50	10	BBGE	
NC[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217197099	KJELASQUFLLRPK-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNc1ncccc1B(O)O	2217201533	YNMQLEWLHUEQSH-BDAKNGLRSA-N	235.096	-0.971	50	10	BBGE	
C[C@@]1(CO)CCN(Cc2cccc(B(O)O)c2)C1	2220060975	BJWRNBQRXNETSZ-CYBMUJFWSA-N	249.119	-0.429	50	10	BBGE	
COC[C@H]1C=CCCN1c1ccc(B(O)O)cn1	2223649603	ZOXRNRBWLBTYIH-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
CN1CCN(c2cc(B(O)O)ccn2)[C@H]2CC[C@@H]21	2223675489	WYAFEYPUEKXNAV-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1c1cc(B(O)O)ccn1	2223676373	AHAIVBPKMQHBLI-MWLCHTKSSA-N	249.123	-0.533	50	10	BBGE	
CN(CCCF)C(=O)[C@H]1C[C@@H]1B(O)O	2241480666	MYYJIKWIVJAYJU-BQBZGAKWSA-N	203.022	-0.333	50	10	BBGE	
CC1(CCNC(=O)[C@H]2C[C@H]2B(O)O)OCCO1	2241495163	HFARGYYLNDQQJC-JGVFFNPUSA-N	243.068	-0.881	50	10	BBGE	
NC[C@@H](O)C(=O)NN(C1CCC1)C1CCC1	2243274270	GVHGPRHZBBOJNB-SNVBAGLBSA-N	227.308	-0.256	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccoc1B(O)O	2243349458	LTHJARUVSOEOHR-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
C[C@@H](N)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363416	GNVRNFPLLHTDHO-HTQZYQBOSA-N	226.085	-0.811	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)C1(B(O)O)CC1	2243365173	IVAWTJKJPTXIRT-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
O=C(N1C[C@@H]2COC[C@H]21)C1(B(O)O)CCC1	2243365791	SFHSBSFJCYWGPP-HTQZYQBOSA-N	225.053	-0.759	50	10	BBGE	
O=C(NCc1cc[nH]n1)C1CC(B(O)O)C1	2243392430	TXZJHOGMWUUUQN-UHFFFAOYSA-N	223.041	-0.721	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1C(=O)C1CC(B(O)O)C1	2243396431	MBEZODUWMOHUFK-KHONBHQKSA-N	227.069	-0.779	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243396730	PZPAUZGZXZMAEF-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H](Cc1ccco1)NC(=O)C#CB(O)O	2243401200	NRRHFNTVZKYSAX-QMMMGPOBSA-N	221.021	-0.658	50	10	BBGE	
CN(C)CC1CN(C(=O)C2(B(O)O)CC2)C1	2243410432	BMPLMBRXBWMKFN-UHFFFAOYSA-N	226.085	-0.987	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)CC=CCC1	2243686316	KOZASDRVOJAMPW-NSHDSACASA-N	221.065	-0.136	50	10	BBGE	
C#CCC1(C(=O)NCCC#CB(O)O)CC1	2244546741	PURIGYHAFRYMGQ-UHFFFAOYSA-N	219.049	-0.688	50	10	BBGE	
CC1(Nc2cc(B(O)O)c(Cl)cn2)CNC1	2245913494	SFKUZMOJTZGXKC-UHFFFAOYSA-N	241.487	-0.811	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)oc1C	2247721194	BCUNKXKKMIKRAW-MRVPVSSYSA-N	233.032	-0.884	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ccoc1B(O)O	2247739888	CIXOGCGCAMIUSP-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@H]1O)C1(B(O)O)CC1	2247754152	CDPDCVAJPBFQTB-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
N[C@@]12CC[C@@H](CN(C(=O)C3(B(O)O)CC3)C1)C2	2247759005	YDYIWIHGXUHJKM-PSASIEDQSA-N	238.096	-0.667	50	10	BBGE	
CC(C)=CCCNC(=O)c1n[nH]cc1B(O)O	2247785652	OMNGFSREIIFIHJ-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247787783	USVOQZURSMQLEO-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
CC[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247797518	KKIZUBNACROJSD-AATLWQCWSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247806339	FDYRURUIMKMDRU-LURQLKTLSA-N	245.059	-0.565	50	10	BBGE	
CCN(CC1(O)CCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247808099	KCKYPBKBBYUYJZ-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]2CCCC[C@@H]21	2247848615	OFUPVUXCMXAPJN-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C1(C)CC1	2247868190	DOSHFEOBMCEUOF-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
Cc1ccn(NC(=O)c2occc2B(O)O)c1	2247870150	FMZILPZMUPAOES-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
CN[C@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2247877213	DKXFYQVCNKMJKY-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
COC(OC)[C@H](C)NC(=O)C1(B(O)O)CCC1	2247878605	ORBVWCUVHJCTPW-ZETCQYMHSA-N	245.084	-0.493	50	10	BBGE	
O=C(NC[C@H]1CCN1C1CC1)C1(B(O)O)CC1	2247879340	SVCAETBEIHYHEB-SECBINFHSA-N	238.096	-0.654	50	10	BBGE	
O=C(N1CCOC(F)(F)C1)C1(B(O)O)CCC1	2247879502	SZGPCMLHJXAUHO-UHFFFAOYSA-N	249.022	-0.165	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247887793	RRSCOKMUWQMSJS-HJGDQZAQSA-N	238.096	-0.811	50	10	BBGE	
CCC[C@H](CCO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247894780	KUOTUTPWHYCXPJ-KXUCPTDWSA-N	243.112	-0.236	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1COC(C)(C)C1	2247896515	ZFUZNDZCYHIVBC-IWSPIJDZSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](C(=O)O)N(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2248575183	YPFXKSVSIQIDRB-LPBLVHEISA-N	241.052	-0.687	50	10	BBGE	
C[C@H](CCCNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248586059	VFGSPTVVBSJZDH-CSMHCCOUSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)[C@@H]1C=C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248587309	OAOGBJNPKVQTHM-RNFRBKRXSA-N	239.036	-0.861	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H]1CC(N)=O	2249305499	LNAASDVLIOOAPW-CIUDSAMLSA-N	242.323	-0.659	50	10	BBGE	
C#CC1(CNC(=O)c2cocc2B(O)O)CC1	2249433978	TWHCLGHZZHGJDH-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2cncc2C1	2249744249	VFVZQOLABJXDQW-JTQLQIEISA-N	237.307	-0.143	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCCC23CC3)n1	2254581899	XBGSFZQZMFJQEM-UHFFFAOYSA-N	248.091	-0.097	50	10	BBGE	
O=C(C#CB(O)O)N(Cc1cccnc1)C1CC1	2255468376	ZXOIVANWPCRZAB-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2ccc(B(O)O)o2)C1	2255468380	ZYKNSWYRPNZXTH-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
Cc1nnc([C@H]2CCCN2C(=O)C#CB(O)O)o1	2255469118	KZNWUOHFUUIYOQ-MRVPVSSYSA-N	249.035	-0.943	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccc(B(O)O)cn1	2255518414	KLBDMLXSTWQRKH-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(N=c1cco[nH]1)c1c(F)cccc1B(O)O	2255736138	HNOIDYJFRXXDIM-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
C=CCN(CCC)C(=O)c1nccnc1B(O)O	2256059701	QAXUOZGCTFYJGE-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2297943253	CNIOUBVVCWMWHO-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
CCCc1noc([C@@H](C)NC(=O)C(=O)NN)n1	2300128343	VFQOVDCZMGIRQC-RXMQYKEDSA-N	241.251	-0.811	50	10	BBGE	
CC[C@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2301421623	WUSNUVPTTZBRPX-SECBINFHSA-N	237.064	-0.638	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)CCCC(=O)O)C1	2303103426	FBTQRTHZAYEUFN-SNVBAGLBSA-N	243.068	-0.293	50	10	BBGE	
CCC(C)(C)NC(=O)CN1CC[C@H](B(O)O)C1	2303124463	RDITUMMMRVYMNO-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](C)[C@H](CO)C1)C(=O)NN	2303413289	IBNYFTHKKOXQBU-SCVCMEIPSA-N	243.351	-0.047	50	10	BBGE	
CC[C@@](C)(Cn1ccc(C(N)=O)n1)C(=O)NN	2303436352	ARDSYVCLZWBBCH-JTQLQIEISA-N	239.279	-0.612	50	10	BBGE	
CCOc1ccc(Cn2ccc(B(O)O)n2)cn1	2316120509	QJIGDKGAIVLVOO-UHFFFAOYSA-N	247.063	-0.595	50	10	BBGE	
CC1(CO)CN(c2ccc(B(O)O)cc2C#N)C1	2317161671	NQYLYFYLVUHSPG-UHFFFAOYSA-N	246.075	-0.943	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1c1ccc(C=O)c(B(O)O)c1	2317335767	LKRSRRIIKSEFML-UFBFGSQYSA-N	248.091	-0.895	50	10	BBGE	
C[N+](C)(C)CC(=O)NNC(=S)S	44549477	NYGLUJDSUNTITB-UHFFFAOYSA-O	208.332	-0.472	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)c1ccccn1	49828077	XKTQXQZNQSZVMG-VIFPVBQESA-N	236.275	-0.174	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)c1c[nH]cn1	69948304	KGHJBPHPNDYBIR-ZETCQYMHSA-N	242.260	-0.144	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](C)CC(=O)NN	82469958	HRTJVASQQDAOHK-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSc2ncn[nH]2)O1	82471862	GPOKLKKBFWLCII-WDSKDSINSA-N	243.292	-0.566	50	10	BBGE	
CCCOCC(=O)NNC(=O)CSC	89996046	BCEARLZJKPSYES-UHFFFAOYSA-N	220.294	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COc2cccnc2)O1	110565585	ASEFCHWTLNVWIS-UWVGGRQHSA-N	237.259	-0.002	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC(O)CC1	110568574	QACBBYIPKHYKGD-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CCNC(=O)C1	110569966	WBQPJLOOYVFTJW-NSHDSACASA-N	248.286	-0.851	50	10	BBGE	
O=S1(=O)CC[C@@H](S(=O)(=O)CCCl)C1	111933157	PHWGFZOYAVTEAY-ZCFIWIBFSA-N	246.737	-0.173	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCCC[C@@H]1CO	125035664	ZOXRATRKPMFUFR-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125795294	CQZHPCBHGLEGFP-NZFPMDFQSA-N	241.335	-0.296	50	10	BBGE	
Cc1[nH]cnc1CSCC(=O)NN	196592985	BOASIWFMLPYWHE-UHFFFAOYSA-N	200.267	-0.059	50	10	BBGE	
O=c1ccncn1Cc1ccc(B(O)O)cc1F	203351905	HUITXDQZNFSSPE-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
OB(O)c1cc(F)cc(Cn2cccn2)c1	211629923	QJCPJKUJFQPAFP-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
CCOC(=O)N(C)NC(=S)NC=O	218874477	PIUTVOVMADOVCV-UHFFFAOYSA-N	205.239	-0.390	50	10	BBGE	
CCN(CCOC)C[C@H]1CC[C@@H](C(=O)NN)O1	223109040	TVGDHHCARWPGPL-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
O=C1CN(Cc2csc(=O)[nH]2)CC(=O)O1	231715859	PHNLARHITDQWFZ-UHFFFAOYSA-N	228.229	-0.678	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@](C)(C(N)=O)C1	235419601	VZFLXLNKONOTSY-LDYMZIIASA-N	242.323	-0.658	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	251541482	AUEFVROQGYAQRH-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(N)=O)[C@H]1C	252681138	GJMPHNLGQNDDPL-YTLHQDLWSA-N	215.253	-0.255	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	304479357	BPNSWODONWDFLQ-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)c1c[nH]nn1	306499043	HLSNAUNLJQNQQM-NJGYIYPDSA-N	216.628	-0.459	50	10	BBGE	
Nc1cccc2c(B(O)O)c(O)sc12	306658143	NNNGGZRVZTZIMM-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NN	307211492	NVXNMKHRVFNPHJ-RQJHMYQMSA-N	245.279	-0.653	50	10	BBGE	
Nc1cc(B(O)O)c2c(N)csc2c1	307431011	WWNXZYPGGFSHRS-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H](Br)[C@H](Cl)N1	307748059	APOPCFIZOPSVSB-VDXAZEBOSA-N	228.477	-0.724	50	10	BBGE	
C[C@H](Cl)c1nc(N)nc(-n2cnnn2)n1	308862265	VRAHICRYDXPAAC-VKHMYHEASA-N	226.631	-0.271	50	10	BBGE	
Nc1ccc(F)c(B(O)O)c1OC(F)(F)F	321267088	AJQOKGJMNUUYJO-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CNC(=O)C[C@H](C)NC(=O)NC(=O)[C@@H](C)Cl	322747455	BQKFJJQWAHOSCC-NTSWFWBYSA-N	249.698	-0.036	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1CCCCO1	379236466	SQVFDNFGDZEIAO-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
C[C@@H]1OCCN(CCCC(=O)NN)[C@@H]1C	380342878	OWEAZFHHMHDPPA-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN1CCCN(CC(C)(C)C(=O)NN)C1=O	382194240	IDAASXBYWZJDRS-UHFFFAOYSA-N	228.296	-0.240	50	10	BBGE	
Cc1cc(=NNC(N)=O)c(C)cnc1O	383975966	RSFSCYAFNGFTNI-UHFFFAOYSA-N	208.221	-0.112	50	10	BBGE	
CC1(C)CN(CC(=O)NN)[C@@H]2COC[C@@H]21	384781900	LTCLKDDBELLCQK-JGVFFNPUSA-N	213.281	-0.667	50	10	BBGE	
COC[C@H](C)OCc1nc(C(=O)NN)co1	386931308	FVITVLACPZYUHF-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
CC(=O)[C@@H](Cl)c1c(O)cccc1B(O)O	396021827	LFWWMCHZSVEIIT-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1S	396150434	WNNALCLHGGZTED-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
N#Cc1csc2c(CO)c(B(O)O)ccc12	396214118	DILVQOGGBOXTNS-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N#Cc1cc(CO)c2c(B(O)O)csc2c1	396229879	XGNWKBPCVLZLCS-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CNC(=O)CCCNC(=O)NC(=O)CCl	398332904	AGWCALVJVBLRRN-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
C[C@H](C(=O)O)C(=O)N1CCC(O)(C#N)CC1	692177177	ISRNEFSILBSUFM-ZETCQYMHSA-N	226.232	-0.416	50	10	BBGE	
CC(CO)(CO)CNC(=O)OCCl	692853580	UXBQREXYLIOPNN-UHFFFAOYSA-N	211.645	-0.100	50	10	BBGE	
OB(O)c1cnn(COCc2ccccc2)c1	694502286	URIMVJUOVAYMGZ-UHFFFAOYSA-N	232.048	-0.263	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H]1CCO	694918656	FXMWYMJCANYKRB-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)Cc1ccccc1Cn1ccnn1	699011133	ADRUDJJYFVIPEB-UHFFFAOYSA-N	231.259	-0.141	50	10	BBGE	
Cc1cc(C)nc(C(=O)NCB(O)O)c1	702017299	LBVNSHCDIPLPDT-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C(COC)COC	702035290	CENGOWRZPVMSOO-VIFPVBQESA-N	233.312	-0.652	50	10	BBGE	
CS(=O)(=O)NC1CN(C(=O)CCCl)C1	702953915	MGZTWIIUEHOCID-UHFFFAOYSA-N	240.712	-0.625	50	10	BBGE	
CCCOCCn1nc(C)c(B(O)O)c1C	703769503	LVLBBKXGYQQWNP-UHFFFAOYSA-N	226.085	-0.394	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C[C@@H](C)C1	707565070	QNEYHUKRGZCXLE-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2C[C@@H]2C2CC2)n1	714935135	TUMIVZADQNZYEL-VHSXEESVSA-N	220.081	-0.001	50	10	BBGE	
O=C(CCl)NC(=O)NC12CCN(CC1)C2	715774804	TXDATFLMMRKNHO-UHFFFAOYSA-N	231.683	-0.101	50	10	BBGE	
O=C(COC1CC1)NCc1ccc(B(O)O)cc1	716965921	RRXJKQPOROCGQB-UHFFFAOYSA-N	249.075	-0.838	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CSCN1C(C)=O	726799191	KAPWTIQBPNUTJY-SSDOTTSWSA-N	231.277	-0.925	50	10	BBGE	
CC[C@@H](C)NC(=O)NNC(=O)[C@@H]1COCCO1	745244891	QMKOXFWRGOEOKA-SFYZADRCSA-N	245.279	-0.469	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@@]2(C)CCCO2)CC1	843899119	XBFYMLRTYUTHIQ-SNVBAGLBSA-N	242.275	-0.118	50	10	BBGE	
CCc1nc(C(=O)NNC(=O)CCCN)no1	857764645	VVDPXLVBRQSETL-UHFFFAOYSA-N	241.251	-0.868	50	10	BBGE	
CCOC(=O)NNC(=O)Cn1cncc1C	858112955	VKNPUVMJHOKMFO-UHFFFAOYSA-N	226.236	-0.031	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	862886554	BXJJGRHZEIWPTL-FXQIFTODSA-N	230.264	-0.264	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NC(C)C	900416218	CTHOKASRZXWZGX-KPJROHGDSA-N	215.253	-0.338	50	10	BBGE	
O=C(CBr)NC[C@@H]1CNC(=O)O1	1144200134	KVFBEFVMOJYKDK-SCSAIBSYSA-N	237.053	-0.394	50	10	BBGE	
CO[C@@H](C(=O)NNC(C)=O)[C@H]1CCOC1	1261661065	FGDRUOHFQKWRCE-JGVFFNPUSA-N	216.237	-0.795	50	10	BBGE	
Cn1ncc([N+](=O)[O-])c1[C@@H]1CC(=O)OC1=O	1535821634	GMZBPUDYEJPPGX-BYPYZUCNSA-N	225.160	-0.115	50	10	BBGE	
CN(NC(=O)c1ccnc(CO)c1)C(N)=O	1623319587	DHWJTEAFLNKNBI-UHFFFAOYSA-N	224.220	-0.771	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)c1ncccn1	1626776632	VNPNUEKDMHTJEE-SNVBAGLBSA-N	238.247	-0.601	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cocn2)c1=O	1650856905	PKNLPFAIBJMSNK-UHFFFAOYSA-N	235.203	-0.475	50	10	BBGE	
NCC(CN)NC(=O)[C@@H]1C[C@@H]1Br	1877402666	FVUMBLJMENUJNI-RITPCOANSA-N	236.113	-0.828	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1CC[C@@H]1O	1881586075	IDAHDHGXCHXWNU-WDSKDSINSA-N	213.686	-0.127	50	10	BBGE	
OCC1(CO)CN(C[C@H]2C[C@H]2Cl)C1	1883531986	AKORKHXYBXLXDA-HTQZYQBOSA-N	205.685	-0.100	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC(O)(CO)C1	1883643596	BPIOFHIYYIQAIB-PHDIDXHHSA-N	205.641	-0.821	50	10	BBGE	
N#C[C@@H](Cl)CN1CC2(CNC(=O)C2)C1	1884800920	NXKXEBFNJCGGFT-SSDOTTSWSA-N	213.668	-0.061	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1cn[nH]c1	1884824410	BLOUWMYLILXRKY-UHFFFAOYSA-N	233.680	-0.070	50	10	BBGE	
O=C(Cn1cnnn1)NCC#CCCl	1884826021	WNSQVRUKVDRPMP-UHFFFAOYSA-N	213.628	-0.969	50	10	BBGE	
C[C@@H](O)CCCN(C)[C@H](C)C(=O)NN	1886909836	XGFAUAQRMQUUJH-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
CC(C)N(C)Cc1nc(B(O)O)cs1	1891783282	GAOJDKDOYVZKJJ-UHFFFAOYSA-N	214.099	-0.337	50	10	BBGE	
NNC(=O)C(=O)NCc1nc(Cl)cs1	1893404181	CBWVDOYOXVSINK-UHFFFAOYSA-N	234.668	-0.597	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1COC[C@@H]1O	1893498220	QISHYXFLYINVNR-ZELZYMQXSA-N	219.624	-0.816	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H](O)CCl)C[C@@H]1O	1894990905	HRPCTTMWSYXXEK-CIUDSAMLSA-N	223.700	-0.596	50	10	BBGE	
C=C(CN1C[C@@H](F)C[C@H](F)C1)B(O)O	1895168752	CGSRNCPDGIHDFX-YUMQZZPRSA-N	205.013	-0.064	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@](C)(O)C1	1901104458	FUYQNNOTJAIVRF-LKEWCRSYSA-N	221.684	-0.042	50	10	BBGE	
COC1CN(CCNC(=O)C=CC(=O)Cl)C1	1901552781	HUDWFLWVFCVZGC-UHFFFAOYSA-N	246.694	-0.245	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](O)[C@H]1C	1901753773	ZLHIWRPZODMHSQ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
OB(O)[C@H]1CCN(CCO[C@@H]2CC2(F)F)C1	1902544604	CSURBJBZQQBTEQ-JGVFFNPUSA-N	235.039	-0.041	50	10	BBGE	
COCCNC(=O)c1csc(C)c1B(O)O	1902865084	KZOBBDVVBBVBBW-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)c(F)cn1)C(F)F	1903008913	CDRDTKPQCOHADL-SCSAIBSYSA-N	233.986	-0.034	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]1(Cl)CC12CCC2	1904712271	TVSPQBGQDQQDFO-JTQLQIEISA-N	241.483	-0.330	50	10	BBGE	
CCn1c(O)nnc1NS(=O)(=O)CCl	1905950526	KFKUOSAEUHDQJI-UHFFFAOYSA-N	240.672	-0.058	50	10	BBGE	
Cc1nccn(C[C@@H](C)C(=O)NN)c1=O	1912221588	PVPOQMZXJGBPML-ZCFIWIBFSA-N	210.237	-0.822	50	10	BBGE	
COc1ccc2c(c1)[C@](N)(B(O)O)CC2	1912277478	DKJCLSBWFJETMW-JTQLQIEISA-N	207.038	-0.193	50	10	BBGE	
CCC[C@@H](N=S(C)(C)=O)C(=O)NN	1913514971	WEMRYCQTMSLFJQ-ZCFIWIBFSA-N	207.299	-0.127	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)C1(C)C	1914329635	BDUZISOJFHLZHB-ZCFIWIBFSA-N	215.253	-0.998	50	10	BBGE	
NNC(=O)COCCN1CC2(CCCC2)C1	1915583548	QMGSYLPOSIVQFJ-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
C[C@@H]1COC[C@H]1OCC(F)(F)C(=O)NN	1927816893	UBFANKMRJSXJBT-PHDIDXHHSA-N	224.207	-0.337	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1931526540	KMNOVPITUXXOGJ-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](N(C)C(=O)C(=O)NN)C(F)(F)F	1931595995	RORXZSZEVQRTSE-GSVOUGTGSA-N	213.159	-0.615	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)CCCC1=O	1936085644	RQIWQVJZFGSZDS-RNFRBKRXSA-N	225.248	-0.849	50	10	BBGE	
CC1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1936094730	PMYXEIBLIFLULF-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CCCNC(=O)CSCCOCC(=O)NN	1936525651	HDVBWVFLBWKEQW-UHFFFAOYSA-N	249.336	-0.748	50	10	BBGE	
O=C(Cn1cnnn1)N1CCOC[C@H]1CCl	1937159235	FTVYLGPMUWTLTA-SSDOTTSWSA-N	245.670	-0.861	50	10	BBGE	
CO[C@@H]1CCCN(CC2(C(=O)NN)CC2)C1	1938246811	LWFLHEWQKAZELR-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN1CCC2(CCO2)CC1)C(=O)NN	1939944126	COVUWKJFEFKCGG-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)(C)OC1CN(CCOCC(=O)NN)C1	1941773365	XCQMAQXPZVLZKA-UHFFFAOYSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1C	1947072783	UUCVOAIYFYIGLO-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1950220053	IUQZZFOAGNDAFG-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CO[C@H]2COC[C@H]12	1955216417	ZVAQHNMPTCKQQX-QYNIQEEDSA-N	241.696	-0.484	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(C2CC2)C1	1956911284	JORDMTBDRQLMSK-ZCFIWIBFSA-N	201.245	-0.201	50	10	BBGE	
Cc1csc(CCN(C)CC(=O)NN)n1	1961282705	DZILHXQZWMXQME-UHFFFAOYSA-N	228.321	-0.084	50	10	BBGE	
CC[C@@H](Cl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1961463545	YEVDKURKHWJPJO-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
Cc1nc(OCC2CC2)ccc1B(O)O	1961695977	LONUWVHHTYNRPK-UHFFFAOYSA-N	207.038	-0.141	50	10	BBGE	
CCON(c1nc(B(O)O)cs1)C(C)C	1961717688	DXOVPSZIDACHSK-UHFFFAOYSA-N	230.098	-0.011	50	10	BBGE	
N#C[C@@H](Cl)CN1CC2(CNS(=O)(=O)C2)C1	1974753802	CANSXZKPRHTLCA-SSDOTTSWSA-N	249.723	-0.648	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](Nc2nccnn2)C1	1974979733	QIKAZVITNRLYHG-NTSWFWBYSA-N	248.695	-0.312	50	10	BBGE	
COC1CC2(C1)CN(C[C@H](C)C(=O)NN)C2	1977522505	KDOFNOQMAMVEAZ-QMMMGPOBSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	1978981210	WEZAGMQOCGDGLT-DVVUODLYSA-N	227.308	-0.541	50	10	BBGE	
COC[C@]12CN([C@H](C)C(=O)NN)C[C@]1(C)C2	1978982995	XQJGRPVSZRIGGI-MIMYLULJSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CN(C)CC[C@@H]21	1980965170	TWJNZTLLOQURLB-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
C[C@@H]1N(CCOCC(=O)NN)CCC1(F)F	1981240048	PQYWMEFNEDOZLG-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CC[C@@]1(C)CCN1c1ncc(B(O)O)cn1	1982944653	OERNDBJGAYKDTJ-JTQLQIEISA-N	221.069	-0.465	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC=CC[C@H]1CO	1983180861	IKSWOJIWBFWYDE-ZETCQYMHSA-N	235.234	-0.766	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568272	SAPODRBSNICGOC-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
CN(CC1(O)CCCCC1)C(=O)C(=O)NN	1986956176	VHPXOQRNPLGGRC-UHFFFAOYSA-N	229.280	-0.870	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@@H]1CNC(=O)O1	1987122262	ZIQOVMHBDXSHTD-RXMQYKEDSA-N	249.654	-0.451	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C2(O)CC2)C1)C(=O)NN	1987339710	CAOWJSAXABRXKU-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CC(C)CN(C)C1CN([C@@H](C)C(=O)NN)C1	1989654865	GXGDHLVIGRXYIL-VIFPVBQESA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCOC1	1990773968	CFCUEVUVGFENIZ-VIFPVBQESA-N	229.280	-0.878	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1991679673	LYOSXMKJOLEUKZ-PIAOCPBHSA-N	245.706	-0.186	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@H]1O	1991706218	NDXBMBMRCMDPKC-XMYQNILUSA-N	246.694	-0.559	50	10	BBGE	
C=C(COC[C@@H]1COC(C)(C)CO1)B(O)O	1992147458	MNZVFVBNHVIMQK-SECBINFHSA-N	230.069	-0.235	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H](CO)C1(C)C	1997289091	GIJGSYCDNPYHDO-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CC(F)(F)C(=O)NN	1997865304	BYEDVWQYHIFDOU-SFYZADRCSA-N	248.277	-0.753	50	10	BBGE	
O=C(C[C@H]1C=CCC1)N[C@H](CB(O)O)C(=O)O	1998126492	SYIXUQLWSHLJRZ-JGVFFNPUSA-N	241.052	-0.615	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)[C@@H](C)C(=O)NN)o1	2004410514	ZDNDSPBZLYOIOH-RNFRBKRXSA-N	241.295	-0.176	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H](CF)C1	2004921271	UCUPDWHDVLDQBX-MRVPVSSYSA-N	239.059	-0.658	50	10	BBGE	
CCCOCCOc1nc(C)ccc1B(O)O	2004930491	DEHAVSREXAGNTQ-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
Cc1ncncc1CN(C)[C@@H](C)CC(=O)NN	2009049318	HTCUPOVPJHXNEV-QMMMGPOBSA-N	237.307	-0.015	50	10	BBGE	
COC[C@H]1CC[C@H](Cn2cc(B(O)O)cn2)C1	2010880916	AYNANVSRRRUKOC-UWVGGRQHSA-N	238.096	-0.374	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CC(=O)NNc1ccccn1	2011383348	YUSXBXRAKCIJCF-RKDXNWHRSA-N	236.275	-0.410	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1OCCOC1(C)C	2013866525	WNLASZGXSYERHN-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
C[C@H](CN1CCC2(CC[C@@H]2O)CC1)C(=O)NN	2014134233	PHDMJCRDMIOTIS-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H](OC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)NN	2016500013	MQUPKZUWOMSWEU-RRDOJEEWSA-N	240.303	-0.090	50	10	BBGE	
CN(CCCn1cc(B(O)O)cn1)C(C)(C)C	2017928039	VJBSYIDBZWXEQW-UHFFFAOYSA-N	239.128	-0.317	50	10	BBGE	
COC[C@H]1CCN(CC(C)(C)C(=O)NN)C1=O	2018142206	YDWNOMQOABVYQP-MRVPVSSYSA-N	243.307	-0.503	50	10	BBGE	
CN1CCC[C@@H](Oc2ccc(B(O)O)cn2)C1	2021069255	XKXIYTSGNRHFMS-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
C=C(CN(C)C[C@@]1(OC)CCCOC1)B(O)O	2021164548	JADMEPXSOAHMRO-NSHDSACASA-N	243.112	-0.318	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)C[C@@H]1CO	2025382263	AYJDQEBTXAFZEN-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1ncccc1B(O)O)C2	2026850906	ZIPNHXLVCURBNU-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
COc1nc(Oc2ccccc2)ncc1B(O)O	2052490761	FADZUZSXAWPTRN-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H]1N(C)C	2052492960	WWOAKNZLQLNREU-ONGXEEELSA-N	249.123	-0.852	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2052621344	GCGKRHQZQGSAIU-KLHWPWHYSA-N	244.103	-0.086	50	10	BBGE	
Cc1cnc(N2CCN(C)[C@H](C)C2)c(B(O)O)c1	2052624965	JLGWEQJNSXTUAX-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C[C@@H]1CC12CC2	2055736360	POLHNBPJWFIYAG-ZETCQYMHSA-N	244.063	-0.694	50	10	BBGE	
O=C(NCCc1ccc(B(O)O)cc1)C1CCC1	2058049760	PNQHRCGGMYHJBI-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
O=C(CN1CCO[C@@H]2C[C@@H]21)NNc1ccccn1	2075109220	PZQINZZKTJJPPL-VHSXEESVSA-N	248.286	-0.002	50	10	BBGE	
CC1(C#N)CN(C(=O)c2ccccc2B(O)O)C1	2079011886	KVMFQXYFWJXHGX-UHFFFAOYSA-N	244.059	-0.648	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1ncncc1B(O)O	2211059446	PVNVVPXHGNWVNJ-IMTBSYHQSA-N	226.016	-0.717	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838984	OEPHXZFLDCOIEJ-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C1CC1	2212611068	UKFAXFPYGCGDRI-VIFPVBQESA-N	221.069	-0.243	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cn2)CCOC1	2212612237	IRQMZTIKIIKLLY-SNVBAGLBSA-N	222.053	-0.648	50	10	BBGE	
C=CCCCCN=c1ccc(B(O)O)c[nH]1	2212613069	RGEZIYPOTITWAS-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
C[C@@H](O)CCCNc1ncccc1B(O)O	2212615112	JWSMNVFKOBFDMG-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
CC1(Cn2cc(B(O)O)cnc2=O)CCC1	2212717373	QTVKSZPQZJFHDT-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@H]2C[C@H]21	2215770527	CEUUGYVSYXXXGY-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2217178903	CFGZFGUNLIWOSA-HTRCEHHLSA-N	240.043	-0.653	50	10	BBGE	
COC1(C)CN(c2cc(B(O)O)c(C)cn2)C1	2217180324	RYSNWLOWVXTUOK-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
Cc1cnc(N[C@H](C)CCCO)cc1B(O)O	2217182626	FSHYWAHIRRJOCZ-SECBINFHSA-N	238.096	-0.357	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C=CCCN1	2217184095	MOKXUWCOQGWDGA-VIFPVBQESA-N	234.064	-0.942	50	10	BBGE	
CCN[C@@H](C)CNc1cc(B(O)O)c(C)cn1	2217184891	XDROYBUANAQGTP-VIFPVBQESA-N	237.112	-0.520	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CCO[C@@H]23)c1	2217196704	HZHABCWPTMWGOO-FXPVBKGRSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H](O)C(C)(C)CNc1cc(B(O)O)ccn1	2217198668	DWXUFORYQORYLY-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ccon1	2217199284	BNEXBVSXWUTART-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CN(c1ncccc1B(O)O)C1(CO)CCC1	2217202292	JBBMSXYWDBCSSC-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
OC[C@@H](Nc1ncccc1B(O)O)C1CCC1	2217202816	LTHKXXFXUUKKTC-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
COCCCCCNc1ncccc1B(O)O	2217203335	SUVJJOUURZHLOE-UHFFFAOYSA-N	238.096	-0.010	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@]12CCCOC2	2223628138	PBABDBHPRJTSDP-ZYHUDNBSSA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N(C)C)C2)cc1B(O)O	2223645136	SICJKPTWALOHMK-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](O)CC3(CC3)C2)nc1	2223666696	KTWXLRWFNGCSMC-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
CN1CC[C@@](C)(COCC(=O)NN)C1	2242594134	MRGFSKKKCZLIHJ-SECBINFHSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1cnco1	2243365119	IDSSOERTZACHOQ-LURJTMIESA-N	224.025	-0.141	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CC2)CCCNC1	2243365337	LEJFJYWNBNIMMK-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
O=C(NCC12CC(CO1)C2)[C@@H]1C[C@@H]1B(O)O	2243391255	IIKAUPRNIALZMF-CINMIUTLSA-N	225.053	-0.856	50	10	BBGE	
CO[C@H](C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396065	GZWAQWUJAKNDLK-IWSPIJDZSA-N	229.085	-0.219	50	10	BBGE	
CC[C@H](O)CCNC(=O)C1CC(B(O)O)C1	2243397209	XFTILXTVVYHPGB-HACHORDNSA-N	229.085	-0.483	50	10	BBGE	
CCOCCNC(=O)c1cscc1B(O)O	2243397412	AQNHRIJJENVRRE-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
Cc1nc(CNC(=O)C#CB(O)O)c(C)s1	2243399276	LHLKYJVILQOVNI-UHFFFAOYSA-N	238.077	-0.608	50	10	BBGE	
C=CCCCNC(=O)c1ccc(B(O)O)o1	2243400869	IXLAZBGDQMOBHG-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CC(=O)NC(=O)c1c(B(O)O)sc(C)c1C	2243403848	DRWKPXIDDFIMBW-UHFFFAOYSA-N	241.077	-0.679	50	10	BBGE	
O=C(NCc1cc[nH]c1)[C@H]1C[C@H](B(O)O)C1	2243426634	JJGSLAHGECZXNB-KYZUINATSA-N	222.053	-0.116	50	10	BBGE	
C[C@@H]1COCCN1CCOCCC(=O)NN	2244036185	IKTUPVDSYUHDGW-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244303504	WDDCGECPPDZOTK-REIXXSIJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]3(O)C[C@@H]3C2)CCC1	2246749204	PRHUKXRZEXYYOO-BXKDBHETSA-N	239.319	-0.397	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1cc(B(O)O)c[nH]1	2247743938	LKGQZQQWNUZMDV-YUMQZZPRSA-N	234.064	-0.920	50	10	BBGE	
CCCOCCNC(=O)c1occc1B(O)O	2247750785	OAVRQKMFNMCZHH-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
O=C(N1CCC[C@@]12CCNC2)C1(B(O)O)CC1	2247753750	BZQRXFAGRJUGDZ-JTQLQIEISA-N	238.096	-0.652	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797006	FMFTYLODPWPMJD-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
N[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247805998	LWRGVZPKKZDQKV-BBBLOLIVSA-N	240.112	-0.421	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)CC1	2247806128	MFBQXFTUEMGANK-CYBICODVSA-N	240.112	-0.375	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247806555	FXYDQTFESMGMRN-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCCN1CCCCC1)[C@H]1C[C@H]1B(O)O	2247808390	USYFFPIFPYWLJZ-VHSXEESVSA-N	240.112	-0.549	50	10	BBGE	
O=C(NC1(CCO)CCC1)C1CC(B(O)O)C1	2247808869	WLTPWKREHYQCFI-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCN1C(=O)C#CB(O)O	2247850005	IQMLIRAKRROZNF-UWVGGRQHSA-N	239.080	-0.846	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCCC1	2247854774	IGCWJVNMRUCBNK-GUBZILKMSA-N	240.112	-0.517	50	10	BBGE	
CC(C)N(CCCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247855875	ZJYNQLQHJSVWRN-AOOOYVTPSA-N	243.112	-0.141	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC(F)(F)C1	2247871776	HONYPCYXRIINRV-LURJTMIESA-N	248.038	-0.812	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cccc(B(O)O)c1C	2247873163	GBNNUWPNUAWHDP-MRVPVSSYSA-N	233.076	-0.021	50	10	BBGE	
O=C(NC[C@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CC1	2247873284	IBZPWNCHLXGFEF-XHNCKOQMSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1CN(C)CCN(C(=O)C2(B(O)O)CC2)C1	2247878629	OYCNCCJNLFPMBT-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
O=C(NCCCn1ccnc1)[C@@H]1C[C@@H]1B(O)O	2247896740	JWRPONXMSWKHCA-BDAKNGLRSA-N	237.068	-0.748	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247899004	JJPLDXGLOGZLGF-DOLQZWNJSA-N	240.112	-0.552	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2247899190	LFTOANNCHKNZBN-HEIBUPTGSA-N	245.034	-0.181	50	10	BBGE	
N[C@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904884	RGFBDRFWNLRXLD-REIXXSIJSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247909213	GTDMNNYKNKYSGM-NFTFJBJSSA-N	240.112	-0.504	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1cccc(B(O)O)n1	2248416611	WHNBPPZFEZTDDN-UHFFFAOYSA-N	232.048	-0.641	50	10	BBGE	
O=C(CCc1ccncc1)NCC#CB(O)O	2248430075	UOJYMEHAKPPBFK-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
CC(C)(C)N(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248586228	XSJJYRYKGJPYMC-BQBZGAKWSA-N	243.068	-0.439	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)CC(=O)O	2248587781	UOORAOFLYYVNNX-NKWVEPMBSA-N	243.068	-0.439	50	10	BBGE	
CC[C@H](C)NC(=O)c1ncc(B(O)O)cc1C	2248969022	WRSSXVXKWCTIOM-QMMMGPOBSA-N	236.080	-0.402	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)ccc1OC	2255497593	DJAISULJJKYLEQ-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
Cc1ccc(C(=O)N2C[C@@H]3C[C@H]3C2)cc1B(O)O	2255511773	OQICMSXXPONQSQ-QWRGUYRKSA-N	245.087	-0.233	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1cnc[nH]1	2255669631	RFYWRSQHXPABQX-SNVBAGLBSA-N	247.063	-0.521	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2255673370	PMUJZAJVFXNWBO-XAVMHZPKSA-N	247.059	-0.560	50	10	BBGE	
C#CCCCNC(=O)c1c(F)cccc1B(O)O	2255736994	XTFSKWGUNRIPDL-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2CC[C@@H]2C)c1B(O)O	2255787435	ZDMCEGSNZOOMHH-IONNQARKSA-N	248.091	-0.402	50	10	BBGE	
N=c1ccc(CNC(=O)C2CC(B(O)O)C2)c[nH]1	2255797692	KFGQPXXZEMIRNN-UHFFFAOYSA-N	249.079	-0.637	50	10	BBGE	
C#C[C@H]1CCN1C(=O)Nc1ccccc1B(O)O	2255893875	VRVQALTYJQNTIH-VIFPVBQESA-N	244.059	-0.394	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1cocc1B(O)O	2258126769	GPEMSKUIMXJGAK-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@H]3B(O)O)C[C@H]12	2298369745	CTQXPHCIINTQHT-KZZCMQFTSA-N	238.096	-0.909	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369818	GNBPLYSTIQRFAR-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1CO2)[C@@H]1C[C@@H]1B(O)O	2298370431	YJLDWBCHSKIPMW-MQIGXGKASA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCO[C@@H]2C[C@@H]21	2300369527	KYVWIGCBIQNLDR-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC2(CCO2)C1	2300394462	VCJRVUBWLSDBFV-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](F)[C@H](CO)C1)C(=O)NN	2303425256	AUGQMENHQJWQFZ-NGZCFLSTSA-N	247.314	-0.345	50	10	BBGE	
CC(C)[C@H](CO)Nc1cc(B(O)O)c(F)cn1	2303834153	AOXDIMWFDZAGOV-VIFPVBQESA-N	242.059	-0.671	50	10	BBGE	
CO[C@@H]1COCCN([C@H](C)[C@@H](C)C(=O)NN)C1	2306798952	JQWKWLCFHRICBM-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCCOC1	2317151627	SNPOKXYIKBGMCQ-LLVKDONJSA-N	246.075	-0.171	50	10	BBGE	
C[C@@H]1CNC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317309973	XLCQXUCMSJBOKD-PRHODGIISA-N	248.091	-0.801	50	10	BBGE	
N#CC(=CNc1nc[nH]n1)C(=O)N1CCNCC1	2324219824	BNHPWUWRXMXLAF-UHFFFAOYSA-N	247.262	-0.944	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ncccn1	2327894019	NIHZWORTFKRCOC-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCCC(=O)N(CCC(N)=O)N(C)C	33638326	HZTVLSADBCYQNI-UHFFFAOYSA-N	201.270	-0.033	50	10	BBGE	
CCOC1CCN(C(=O)C(=O)NN)CC1	40690446	XJVZUVIIGMSEML-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
CCN(CCOC)[C@@H](C)CC(=O)NN	58837778	QQXPHBHZDGMLHG-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@H](C(N)=O)N1CC[C@@H](Br)C1=O	82606993	CUINXBLSOYFRIH-RFZPGFLSSA-N	235.081	-0.144	50	10	BBGE	
CN1CCO[C@@H](CNC(=O)CCl)C1	85789926	SSDUJZOSWDCNHK-ZETCQYMHSA-N	206.673	-0.328	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C)(O)CC1	87781183	KDLQLCXQKRZICJ-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
NCCCSS(=O)(=O)CCCN	168073588	CIPVVNJKCZVZBR-UHFFFAOYSA-N	212.340	-0.253	50	10	BBGE	
O=C(CCl)NCCNC(=O)[C@@H]1CCCO1	169917228	JNUZFVAKXSYSAF-ZETCQYMHSA-N	234.683	-0.363	50	10	BBGE	
Cc1cc(-n2cccc2)ncc1B(O)O	202528874	IGELGWOYLHQRLV-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
CO/C=C\c1cccc(B(O)O)c1OC	203558507	HLGVBWOXBDPRSN-SREVYHEPSA-N	208.022	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)C1CCC1	228568956	MALJEGWTVSKEJC-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC(C)(C)C(N)=O	230407341	PTCRIZDTVGYZPT-RXMQYKEDSA-N	249.698	-0.049	50	10	BBGE	
COC[C@H](Oc1ccc(CO)cc1)C(=O)NN	232418312	WTOZVIPIMYOQPZ-JTQLQIEISA-N	240.259	-0.437	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCCO)C1CCC1	232420872	DXRUDLLCXHWUIP-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H](O)C(F)F	236559954	AFBWMNZFRQVMDC-SCSAIBSYSA-N	237.655	-0.229	50	10	BBGE	
C[C@@H]1O[C@H](CN(C)C)C/C1=N\NC(N)=O	238421231	JTMUOEXHTKFACI-PDIDVQAISA-N	214.269	-0.250	50	10	BBGE	
Cn1cc(-c2ccc(B(O)O)s2)cn1	238510335	HKRAXKVNZPBIOP-UHFFFAOYSA-N	208.051	-0.172	50	10	BBGE	
OB(O)c1cnc(O)c(Br)c1	238635081	BVNOYCJGXCQART-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCN(C)C1)C(=O)NN	251088068	JONUGBYJGWGXIN-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
C[C@H](CO)N(C)[C@H](C)CCC(=O)NN	252815037	UPBOMLVJRRVXLV-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)COC2	300893148	GIDQYXSYYWGGRU-UHFFFAOYSA-N	221.216	-0.355	50	10	BBGE	
Cn1nnnc1N[C@@H]1COC[C@H]1Cl	306278759	QMGZBALOHIAIPZ-RFZPGFLSSA-N	203.633	-0.372	50	10	BBGE	
O=[N+]([O-])c1cnc(B(O)O)c(Br)c1	307209134	ALBVXVGZTMSMBV-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
COC[C@@H](C)CN(C)[C@@H](C)C(=O)NN	308493999	CNQYDQXTPJKUPM-YUMQZZPRSA-N	203.286	-0.421	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@](O)(CO)C1	313680125	HPLCCCNFDBDNEY-APPZFPTMSA-N	221.684	-0.183	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)[C@@H]1CCOC1	313762558	UEARSIHTRVWFEE-CYBMUJFWSA-N	249.119	-0.104	50	10	BBGE	
CC[C@](C)(CO[C@H](COC)C(=O)NN)OC	319437265	HVJKXMPMBAEBDX-PSASIEDQSA-N	234.296	-0.177	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCCNC(=O)C1	395619217	UCVNGNZDYVKZDO-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CCC(=O)c1cccc([N+](=O)[O-])c1B(O)O	396053673	PSHCCDSREATHHE-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
C[C@H]1COCCN([C@H](C)CC(=O)NN)C1	399637225	FUCZSCQJFPYCCN-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	404964169	GHQQSHUHSBYLHT-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
CCCOC(=O)Nc1cc(B(O)O)ccn1	405161035	FWNNCOOEWPTRAR-UHFFFAOYSA-N	224.025	-0.280	50	10	BBGE	
CCCC(=O)NCC(=O)NN(C)C(=O)OC	495822925	KTOZLAJBOYAWAZ-UHFFFAOYSA-N	231.252	-0.368	50	10	BBGE	
COC1CCC(OCC(=O)NN)CC1	686248394	LUZUNEDZXNBGIB-UHFFFAOYSA-N	202.254	-0.050	50	10	BBGE	
CN1C(=O)CN(C[C@@H](O)CCl)C1=O	688908887	QUEKKHOFJMNRMZ-YFKPBYRVSA-N	206.629	-0.520	50	10	BBGE	
CN1CCC[C@H]1CCn1cc(B(O)O)cn1	692467882	KTMHPHMOOMFBNT-JTQLQIEISA-N	223.085	-0.953	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCCC(F)(F)C1	702017112	HZEOZIRRVTYTPK-ZCFIWIBFSA-N	221.012	-0.060	50	10	BBGE	
CNNC(=O)[C@H]1CCCCN1S(C)(=O)=O	704645390	TZJSZWVPZZGEGC-SSDOTTSWSA-N	235.309	-0.949	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1	709329913	JJUHNIAVZKJIDT-UHFFFAOYSA-N	248.242	-0.739	50	10	BBGE	
CCN(CC1CN(C)C1)[C@@H](C)C(=O)NN	709609944	RTSPIYCOXXDQTE-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
O=C(N[C@@H]1COCC[C@@H]1Cl)[C@H]1COCCO1	710868698	ADRGUCGVUANRMG-DJLDLDEBSA-N	249.694	-0.086	50	10	BBGE	
O=C(NCc1ncc(B(O)O)s1)C1CCC1	714570560	ZOYPIKXMOOCHFT-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
CCN(C1CCOCC1)[C@@H](C)C(=O)NN	716482475	NWOAPNMCTRZYAB-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[N+]1=CC(CN[S@@+]([O])(=O)CCl)=NC1	725678750	IWKWIKHQTWWHHZ-CYBMUJFWSA-N	224.693	-0.343	50	10	BBGE	
CC(C)C(=O)NNC(=O)N[C@H]1C[C@H](C(N)=O)C1	858772898	GMGQNBJQOBJELX-LJGSYFOKSA-N	242.279	-0.763	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)CCCC(N)=O	862504397	AKHJQTYDQOVRQB-UHFFFAOYSA-N	236.275	-0.089	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccnc(C#N)c1	910149662	IIZUAXTXXULHQC-QMMMGPOBSA-N	234.259	-0.089	50	10	BBGE	
CC(=O)NNC(=O)CCc1ccc(O)nc1	1136043451	DCLGTUOVGTYIRR-UHFFFAOYSA-N	223.232	-0.113	50	10	BBGE	
C[C@H]1C(=NNC(=O)CCO)CO[C@@H]1C	1326446997	RWGWJFQPYKMCLJ-RNFRBKRXSA-N	200.238	-0.104	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]1F)c1ccnnc1	1520238993	FDHUZHPMWVLBIT-RNFRBKRXSA-N	224.195	-0.404	50	10	BBGE	
O=S(=O)(CI)NO	1879929445	LJQZQWGYBRRQKZ-UHFFFAOYSA-N	237.018	-0.313	50	10	BBGE	
NS(=O)(=O)C1(CNC(=O)F)CCC1	1882788308	WGYJWBAMUCEILJ-UHFFFAOYSA-N	210.230	-0.123	50	10	BBGE	
OC1CNC(=NC[C@H]2C[C@@H]2Br)NC1	1883529066	HBLSWPQKSBOVNK-VDTYLAMSSA-N	248.124	-0.321	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(CO)C1	1883627754	YVDFPGLFYZETEJ-UHFFFAOYSA-N	203.625	-0.241	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)N1CCSSCC1	1884554880	IDDGQAWJJUNURW-RNFRBKRXSA-N	236.362	-0.082	50	10	BBGE	
C#CCN(C)C1CN(S(=O)(=O)CCl)C1	1888664107	GUVOSDCYUHMFNL-UHFFFAOYSA-N	236.724	-0.238	50	10	BBGE	
CC[C@H](OC)C(=O)NCC=CB(O)O	1892920493	SBNKFOOJQAUWOB-ZETCQYMHSA-N	201.031	-0.904	50	10	BBGE	
N[C@]1(C(=O)NC[C@@H]2C[C@@H]2Cl)CCOC1	1893106298	FDVYRCJRIBVHCI-ACLDMZEESA-N	218.684	-0.152	50	10	BBGE	
C[C@@](N)(CO)CNC(=O)C=CC(=O)Cl	1893411391	WUNJYWVKJCKMBT-QMMMGPOBSA-N	220.656	-0.866	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C(=O)[C@H]1C	1893840625	IDLMWCFFHNKCIH-PRJMDXOYSA-N	213.281	-0.131	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@H]1F	1895378077	NJWRQOOCUDBGMX-IYSWYEEDSA-N	224.000	-0.942	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1C[C@H]1F	1901201058	ANRYCWOHGZXHHC-PSASIEDQSA-N	220.012	-0.240	50	10	BBGE	
C[C@@H]1CCCN[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901338903	FECXPGXVJGMAFD-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCN1)S(=O)(=O)C1CC1	1901348117	CHMMDKCEUYDMQN-ZETCQYMHSA-N	247.320	-0.806	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H](F)C2)c1	1905081071	HXMAGDBCYDPUIV-OTSSQURYSA-N	224.044	-0.079	50	10	BBGE	
CC(C)S(=O)(=O)N(C)CC1(C(=O)NN)CC1	1913444718	XQLRMWWKHBZYGW-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@H]1C#N	1914860832	LGVVUHCLJUUSDA-SSDOTTSWSA-N	201.657	-0.109	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC2(COC2)C1	1915566722	HLSDRFKMLSGBOX-IUCAKERBSA-N	225.292	-0.665	50	10	BBGE	
CC(C)(CN1CCC2(COC2)C1)C(=O)NN	1915568564	ORBVRSZHJCQSML-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2C[C@@H]21	1916276162	OMUFNYSEQFNWKF-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
CN1CCNC[C@H]1C(=O)N1CC=C(C#N)CC1	1917086604	JWXVDDVLDNGSKW-NSHDSACASA-N	234.303	-0.428	50	10	BBGE	
Cn1cncc1C(=O)NNC(=O)C(F)(F)F	1923393420	GQJSWVFMHDVJHW-UHFFFAOYSA-N	236.153	-0.257	50	10	BBGE	
C[C@@]1(O)CON(C(=O)CBr)C1	1930278502	UEKQAYDOHRRLNC-LURJTMIESA-N	224.054	-0.094	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](F)C[C@@H]1C(=O)O	1931745512	UCCYSQZJBBRXPE-NTSWFWBYSA-N	219.216	-0.330	50	10	BBGE	
C[C@H]1[C@@H](CN(C)C(=O)C(=O)NN)C1(F)F	1933032926	RQSUICNGBDUQIC-CRCLSJGQSA-N	221.207	-0.664	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](CCO)C1	1935931656	MJSGGIDGABNRBB-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)CCSC1=O	1936082991	HHEJAPSXMUEPLO-WDSKDSINSA-N	243.288	-0.302	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1C1CCC1	1936217869	YNIYMFMWPOASMJ-NXEZZACHSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H](O)[C@H]3C2)CC1	1938396401	IDPVXGOEDQMFRT-XHNCKOQMSA-N	225.292	-0.931	50	10	BBGE	
CN(Cc1cnccn1)CC(F)(F)C(=O)NN	1940890464	FYGXEJKETJYHEB-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](F)C1	1941013219	UOSSWLOBUXIXPU-OPRDCNLKSA-N	247.314	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@H](O)[C@H]2C1	1941079623	QDLAJEGHFMUSHJ-GEVSDDDWSA-N	239.319	-0.685	50	10	BBGE	
CCO[C@H](COCCOCC(=O)NN)C1CC1	1941772407	IVEUHOPZGOMCLI-SNVBAGLBSA-N	246.307	-0.175	50	10	BBGE	
CCn1nccc1CN(C)C[C@@H](C)C(=O)NN	1945490187	YIMHYWARZCFWJT-SECBINFHSA-N	239.323	-0.039	50	10	BBGE	
[C-]#[N+]C[C@H](CS(C)(=O)=O)NC(C)=O	1951438087	IRKCRJUCKOVKHB-SSDOTTSWSA-N	204.251	-0.545	50	10	BBGE	
O=C(CBr)N[C@H]1C[C@H]1CO	1953154270	XSTDIYLKOBDDIJ-WHFBIAKZSA-N	208.055	-0.122	50	10	BBGE	
C[C@H](O)CN1CCN(C[C@H](O)CCl)CC1	1961276670	VEZVQKXWBVQCMX-VHSXEESVSA-N	236.743	-0.416	50	10	BBGE	
OB(O)c1csc(N2CC[C@H](CF)C2)n1	1961718772	TVLPWFZYZUGCIP-ZCFIWIBFSA-N	230.073	-0.381	50	10	BBGE	
C[C@H](NC(=O)NN(C)C)[C@H]1C[C@H]1C(=O)O	1962403586	QEGDVSHCVLVHQQ-RRKCRQDMSA-N	215.253	-0.129	50	10	BBGE	
O=C([C@@H]1CC=CCO1)N1CC[C@@H](B(O)O)C1	1967586915	MHCFVLQNJNIFTO-BDAKNGLRSA-N	225.053	-0.593	50	10	BBGE	
COC[C@@H](Sc1ncncc1N)C(=O)NN	1975751235	DIHMMDSJERJYOP-ZCFIWIBFSA-N	243.292	-0.844	50	10	BBGE	
CCCN(OC)c1nccc(C)c1B(O)O	1981413396	GEQMEHSUSXMNBP-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@H]32)ncc1B(O)O	1981445885	PMYRLNBSPXFIAH-VXNVDRBHSA-N	219.053	-0.937	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@H](C)C(=O)NN	1984069853	RAEWDRDSSUZHNR-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CC1(C)CC[C@@H]1n1cc(B(O)O)ccc1=O	1984102417	UKQFCKSLRXBPPJ-VIFPVBQESA-N	221.065	-0.111	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cncnc1	1984242185	YXSBYNJAZONYJR-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
COCc1nccn1C[C@@H]1C[C@@H]1C(=O)NN	1985660085	NRRIJWLJRFJVMU-YUMQZZPRSA-N	224.264	-0.345	50	10	BBGE	
COCCCCN(C)CC(=O)NNC(C)=O	1990774086	DQCSMUMJGYPLBB-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
C[C@H](CNC(=O)C=CC(=O)Cl)c1nn[nH]n1	1991647808	IRXMCBVQSQUXEC-RXMQYKEDSA-N	243.654	-0.259	50	10	BBGE	
O=C(O)CN1CC[C@H](NC(=O)[C@H]2C[C@H]2Cl)C1	1991692915	KISBHCNCDWSQML-BIIVOSGPSA-N	246.694	-0.111	50	10	BBGE	
C[C@@H](CNC(=O)/C=C/C(=O)Cl)c1nn[nH]n1	1991703579	IRXMCBVQSQUXEC-HRJJCQLASA-N	243.654	-0.259	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CCC(O)CC1	1997581141	JYWMEPKYUQJAPK-UHFFFAOYSA-N	241.335	-0.008	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)[C@@H]2C[C@H]21	2002910853	UOKJGGARFFSDJJ-OPRDCNLKSA-N	240.351	-0.221	50	10	BBGE	
CN(c1ncncc1B(O)O)C1(C)CCCC1	2004919716	CEFCTRIXWBTBKN-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H](F)C2)ncc1B(O)O	2004972507	GXJLRKNFTSYIOO-IMTBSYHQSA-N	239.059	-0.741	50	10	BBGE	
C[C@@H](CCOc1ccncc1B(O)O)N(C)C	2008234237	XKPXCTJYVRDUAY-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
C[C@@H](COc1cc(F)ccc1B(O)O)N(C)C	2008376280	DNEMFDUFUUEUPJ-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CCOCCOCCOC[C@H]1C[C@H]1C(=O)NN	2010594297	IKKOOHCPVZVSAD-NXEZZACHSA-N	246.307	-0.318	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCO[C@H](C)C1	2019210988	OWMJXXSFTJFDEZ-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1CCOCC1	2019220477	YSYPPNQIMNFTGT-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H](O)C12CCC2	2023235609	CTNSYROGGHJWBC-BDAKNGLRSA-N	241.335	-0.010	50	10	BBGE	
O=C(NCCc1ccc(B(O)O)cc1)C(F)F	2025204950	SGUJPKCBCUNBFS-UHFFFAOYSA-N	243.018	-0.710	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COc1ccc(C(N)=O)cc1	2028045430	QZEUGONNQIAOGK-SCZZXKLOSA-N	249.270	-0.210	50	10	BBGE	
CN1CCN(Cc2ccccc2B(O)O)[C@H]2C[C@@H]21	2049379046	HFAMBKGRRGDEPN-STQMWFEESA-N	246.119	-0.745	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)Cc2cnco2)n1	2052552400	RYJVDZMTDSLWHH-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CCO[C@@]2(CO)C1	2210046521	VRPVUWCRAXWOMD-IONNQARKSA-N	219.668	-0.165	50	10	BBGE	
OB(O)c1cccnc1NCC(F)F	2210068220	OFSLZWRDATWFPA-UHFFFAOYSA-N	201.969	-0.562	50	10	BBGE	
NNC(=O)C1(CN2CCS2(=O)=O)CCCC1	2212444229	FQPRXSAKYVGJKX-UHFFFAOYSA-N	247.320	-0.818	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@@H]2C)cc1B(O)O	2212604776	SOZKNLXFZNBTEZ-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1ncccc1B(O)O	2212604873	SZBIDVBMAPGZOH-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)CC[C@@H]1O	2216527784	HJMGXYKGCFZTFH-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@@H]1NCCOc1ncccc1B(O)O	2217172422	KFLVJNZZSZRXAP-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2217172530	KXBVATXMDFTUOD-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCNC1	2217172652	LJXNKRUXIZVQND-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
COC[C@@H]1C=CCN1c1cc(B(O)O)ccn1	2217172816	MWKKXYMFVLLROJ-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
COC[C@@H](C)CCNc1ncccc1B(O)O	2217177967	PPWCVJZQPLVEBI-VIFPVBQESA-N	238.096	-0.154	50	10	BBGE	
CCNC[C@H](CC)Oc1ccc(B(O)O)cn1	2217182435	AQZGOUFPHCRUJO-JTQLQIEISA-N	238.096	-0.472	50	10	BBGE	
Cc1cnc(N[C@H]2CCCN[C@@H]2C)cc1B(O)O	2223650136	IQAFAHCXVQSORQ-KOLCDFICSA-N	249.123	-0.378	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](O)C3(CCC3)C2)nc1	2223653494	RZSWPASXUJSYHD-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
Cc1nn(C)c(C)c1Oc1cc(B(O)O)ccn1	2223656563	ORVWBIRBUBVYMX-UHFFFAOYSA-N	247.063	-0.096	50	10	BBGE	
CC[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CN1	2223670234	UTQUYXLKDIRUGQ-WDEREUQCSA-N	249.123	-0.296	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1Nc1ncccc1B(O)O	2223674720	MXYCQKRYSLDRBJ-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
NCC1(OC[C@H]2C[C@@H]2Cl)CS(=O)(=O)C1	2241505101	ZZBHFRSEFZYVGF-RQJHMYQMSA-N	239.724	-0.244	50	10	BBGE	
CC/C=C\CNC(=O)c1occc1B(O)O	2243363837	NFHOYGKOYIXLJZ-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
O=C(Nc1ccncn1)[C@H]1C[C@@H](B(O)O)C1	2243381176	DAHGFAPVEIUEAT-KNVOCYPGSA-N	221.025	-0.332	50	10	BBGE	
CO[C@@H](C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381566	GZWAQWUJAKNDLK-XHNCKOQMSA-N	229.085	-0.219	50	10	BBGE	
CC(C)(C#N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382593	QLWODZDVDXKETE-OCAPTIKFSA-N	224.069	-0.095	50	10	BBGE	
CC[C@@H](COC)NC(=O)C1CC(B(O)O)C1	2243391933	PHAHORZKNUGDEC-HACHORDNSA-N	229.085	-0.219	50	10	BBGE	
CCOCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243395802	BYIBZISBMQVBGA-KYZUINATSA-N	229.085	-0.266	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1C(=O)C1CC(B(O)O)C1	2243396204	IZOWCUMYWGBBKJ-KHONBHQKSA-N	226.085	-0.813	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)c[nH]2)CCC1	2243399686	OWQGWKANYBMKFF-UHFFFAOYSA-N	222.053	-0.633	50	10	BBGE	
CC1(C)CCC=C[C@@H]1NC(=O)C#CB(O)O	2243400906	JLKWKBXYIRJYEV-VIFPVBQESA-N	221.065	-0.137	50	10	BBGE	
O=C(Nc1cncnc1)[C@H]1C[C@@H](B(O)O)C1	2243405068	YYNNYJILBGDZKN-KNVOCYPGSA-N	221.025	-0.332	50	10	BBGE	
C[C@H]1CN(C(=O)c2cscc2B(O)O)[C@@H]1C	2243410379	AJRKTHPWMRISFQ-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CCC1)OC	2243410703	GKMTZQHTEFZGRE-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243426344	HAXGTMOSHKYKLV-XHNCKOQMSA-N	229.085	-0.675	50	10	BBGE	
CCC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243752392	IIEFQQOFXMIGIG-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@@H]2C1(C)C	2243839115	ADIJHBAIDZWVMX-BDAKNGLRSA-N	225.292	-0.116	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)co1	2244206210	TUWMMPGUNOLXFH-MRVPVSSYSA-N	223.037	-0.416	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)co1	2244222766	WIAHPFFRXCJFTE-HTRCEHHLSA-N	223.037	-0.512	50	10	BBGE	
NC1CC(Oc2cc(B(O)O)c(Cl)cn2)C1	2245912645	DPRZXFHINNBVEJ-UHFFFAOYSA-N	242.471	-0.717	50	10	BBGE	
C[C@@H](O)[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245913535	TUFSNWGOADKPEZ-PHDIDXHHSA-N	244.487	-0.404	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)n(C)n1	2247750851	OVEHFGHTMCIFLP-UHFFFAOYSA-N	237.068	-0.648	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1occc1B(O)O	2247751270	VRWLAAPSIQVRMK-CPCISQLKSA-N	237.064	-0.265	50	10	BBGE	
CNC1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247790992	KKXSMMLUTKRRCP-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247793021	WCAOHHYEDGHZNK-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1scc(C)c1B(O)O	2247800065	KZKJDZSEDVIBFH-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
N[C@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247803410	AYUOOLSHHJPLGP-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]1CCCO	2247806278	DVPJKNVUEBGVJG-KXUCPTDWSA-N	241.096	-0.387	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCNCC1	2247806809	GIGCEOGWZNNMCO-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CCCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1COC1	2247807661	RMCFDTARMNGHGL-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2247855368	RGFNPQDTCSJQCQ-SRQGCSHVSA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1CCO[C@@H]1C1CC1)C1(B(O)O)CC1	2247855576	UYHBNIOFJBBYTJ-DTWKUNHWSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CN(C(=O)c2ncccc2B(O)O)[C@H]1C	2247869648	WEFFTDDIOGNJIW-YUMQZZPRSA-N	234.064	-0.758	50	10	BBGE	
CCN(CC)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247887601	PPRQACDOHYSSLF-UTLUCORTSA-N	242.128	-0.304	50	10	BBGE	
O=C(NCCCF)Nc1ccc(B(O)O)cc1	2247973544	JZNISEFUINAUMZ-UHFFFAOYSA-N	240.043	-0.153	50	10	BBGE	
C=C(F)CNC(=O)Nc1ccccc1B(O)O	2247982709	YXEPVMBTHRNDQI-UHFFFAOYSA-N	238.027	-0.029	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2C=CCC2)n1	2249278703	PIGHIAPSJDXSMI-SECBINFHSA-N	234.064	-0.129	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1cocc1B(O)O	2249433551	NQHAJNVGJQNHAI-SNVBAGLBSA-N	237.064	-0.170	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2249433995	UACZSMJNRCSQCN-HQJQHLMTSA-N	235.048	-0.559	50	10	BBGE	
CCOC(=O)NCc1ccc(B(O)O)c(C)c1	2251313526	TVGAVCDTSLVWIQ-UHFFFAOYSA-N	237.064	-0.079	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@@H]32)n1	2254704935	FLEATIZEGULDIP-KHQFGBGNSA-N	249.075	-0.053	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2CCC[C@H]21	2255443662	CGCGGJGEVABBBX-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@H]1C[C@@H]2C[C@@H]2C1	2255454240	NJJQYKHTGDSPSS-DIYOJNKTSA-N	249.075	-0.170	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1coc(B(O)O)c1	2255454793	RYFMXHVRXWBGJL-BXKDBHETSA-N	249.075	-0.121	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(F)c(B(O)O)c1	2255500121	HLODKACFVNZRLW-VIFPVBQESA-N	249.050	-0.189	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1cncc(B(O)O)c1	2255521068	RLCUCGSPWFKFRI-JOYOIKCWSA-N	246.075	-0.566	50	10	BBGE	
CC1(NC(=O)c2ncncc2B(O)O)CCCC1	2255521189	TUNVGJINAKPYRG-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
C#CCCN(C(=O)c1ccc(B(O)O)o1)C(C)C	2255680633	RQRMRBWRIHBTKC-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
CC12CC(CN1C(=O)c1ncccc1B(O)O)C2	2255714570	SGNNSLDCLKOLLU-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(Cc1ccncc1)N[C@H]1CCC=C1B(O)O	2256680355	VKBWOBGURFLNQQ-NSHDSACASA-N	246.075	-0.159	50	10	BBGE	
CN(CC1COC1)C(=O)c1ccc(B(O)O)cc1	2257598717	UYXOIFUDICPDMM-UHFFFAOYSA-N	249.075	-0.915	50	10	BBGE	
Cc1cnc(OC[C@]23C[C@H](CO2)C3)cc1B(O)O	2260687544	BEIRPKGPOOWUBK-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H](O)[C@@H](F)C1	2298165166	FTCRQBFPOPLSJP-JXUBOQSCSA-N	245.298	-0.593	50	10	BBGE	
CC(C)N1CC[C@H](N2CC[C@H](B(O)O)C2)C1=O	2303104497	JGGSFTCXWISEJH-UWVGGRQHSA-N	240.112	-0.456	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12COCC(C1)C2	2303112304	QZNSPSHHUNRXIU-INWMGODYSA-N	239.080	-0.512	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303847868	PPPIDUSRUKCDCF-HTQZYQBOSA-N	238.071	-0.220	50	10	BBGE	
CC(C)(CCN)Oc1cc(B(O)O)c(F)cn1	2303849596	KSNRUPNLCXPBBB-UHFFFAOYSA-N	242.059	-0.593	50	10	BBGE	
CCC(=O)N(C)C1CN([C@H](C)CC(=O)NN)C1	2307296037	CXNKVPXHWFSCHB-MRVPVSSYSA-N	242.323	-0.693	50	10	BBGE	
C#CC[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2317151096	MWEDGLDSDVBLMU-NSHDSACASA-N	244.059	-0.966	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1C[C@H]1CN	2317160404	CYIJYXFKIYZAEQ-WPRPVWTQSA-N	245.091	-0.755	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@H]1CN	2317166831	ZVUXQNGKHZEPMB-GZMMTYOYSA-N	246.075	-0.646	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)N(CCO)CCO	2324961639	ZRLMXQUGOXMUJI-UHFFFAOYSA-N	241.291	-0.795	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1C(N)=O	37834218	WMZKFSYQBDIGKM-KVQBGUIXSA-N	220.656	-0.939	50	10	BBGE	
N[C@H](CC(=C/C=O)/C=C(/O)C(=O)O)C(=O)O	71756198	FNEGJFDTWWXQES-LKXQUUENSA-N	229.188	-0.560	50	10	BBGE	
CN(C)CC1CCN(CCC(=O)NN)CC1	82469736	ANKVYHRGLJCKCQ-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)OC(C)(C)C1	82470069	SYBFJZRAYAUTRO-SFYZADRCSA-N	215.297	-0.136	50	10	BBGE	
CCNC(=O)[C@@H](C)NS(=O)(=O)CCl	82511925	RCKKMFHXDQAXCW-RXMQYKEDSA-N	228.701	-0.373	50	10	BBGE	
C[C@H]1COCCN1Cc1cc(C(=O)NN)no1	110575395	LIYIEQLYIZNFPD-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
CCC1C[C@@H]2C(=O)N(CC(=O)NN)C(=O)[C@H]2C1	159529744	KONJHOICGAXLRI-YUMQZZPRSA-N	239.275	-0.603	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCOC1	211158081	PWQPFAGECADESC-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
COC(=O)[C@H](N=[N+]=[N-])/C(C)=N/NC(N)=O	211339650	RLSURDBFBRLMDL-UGTDVNPESA-N	214.185	-0.118	50	10	BBGE	
COC1=CC(C=O)=C[C@H](OC)[C@]1(O)C(C)=O	215641377	JLESQKIMSKNNJM-GXSJLCMTSA-N	226.228	-0.009	50	10	BBGE	
OB(O)c1cccc(OC[C@H](O)CCl)c1	215753515	HKTNRUCYYLEEIK-MRVPVSSYSA-N	230.456	-0.655	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCCl)CN1	229357513	LRSBZDFENIETTA-RXMQYKEDSA-N	226.685	-0.967	50	10	BBGE	
CC1C[C@@H]2C(=O)N([C@H](C)C(=O)NN)C(=O)[C@H]2C1	229922093	GURDHQSCDIBYLF-CSMHCCOUSA-N	239.275	-0.604	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCO)CC(F)F	231592345	XETOWJPBJHGCDJ-QMMMGPOBSA-N	239.266	-0.440	50	10	BBGE	
CC(=O)NNC(=O)COc1cccc(CN)c1	232557028	HURSMARUJYVZQH-UHFFFAOYSA-N	237.259	-0.309	50	10	BBGE	
CC[C@H]1CN(C)CCCN1CC(=O)NN	234064288	ZRYMJQKUNYHUIC-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CS[C@@H]1CCC[C@@H]1NC(=O)C(=O)NN	235128560	LXOPPHIQBRTZRY-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@@H](O)CO	235434786	PIOMBVWEIAAKSY-CRCLSJGQSA-N	226.070	-0.761	50	10	BBGE	
CCOC(=O)c1cc(Cl)c(B(O)O)cn1	238256370	CWUSMINBLYVYGN-UHFFFAOYSA-N	229.428	-0.409	50	10	BBGE	
C[C@@H](O)[C@H](N)COCCOCCCl	238448991	OSJDTJMBRKNWBK-HTQZYQBOSA-N	211.689	-0.034	50	10	BBGE	
Nc1cc(B(O)O)c(C(F)(F)F)cn1	238595839	RAQLLTZSJARNBM-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	250707137	YTPZQIMPHOEMSZ-DTWKUNHWSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)C[C@H]1C	300355189	MHQQJTQLAGIWPM-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](CCC(=O)NN)SCC(N)=O	300828267	OBXMNFVCHYZXGM-YFKPBYRVSA-N	205.283	-0.637	50	10	BBGE	
CC(C)NC(=O)CSC[C@@H](C)C(=O)NN	300870447	QOOIBLSFHDCSLS-SSDOTTSWSA-N	233.337	-0.130	50	10	BBGE	
NNC(=O)C(=O)NCCOCc1ccccc1	306686686	KLFSUZGVCYPFPA-UHFFFAOYSA-N	237.259	-0.691	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@H]1CCOC1	308792392	BKSZNUVHUXJZGJ-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	309426817	DGFNZTXXMVJOBJ-QWRGUYRKSA-N	223.081	-0.617	50	10	BBGE	
Cc1cc(B(O)O)cc(C2CCNCC2)n1	309515832	UQUNTAOKMLZHGY-UHFFFAOYSA-N	220.081	-0.463	50	10	BBGE	
COc1cnn(Cc2ccc(C(=O)NN)cn2)c1	310705837	ICDVGVSEPDGVJM-UHFFFAOYSA-N	247.258	-0.062	50	10	BBGE	
Cc1cn(Cc2ccccc2B(O)O)ccc1=O	311123473	YFUSOBCAIRQPKF-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CCS[C@@H]1CCN(CC(=O)NN)C1	382887317	GYSIEJAJLGHOOZ-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
C[C@H](CN(C)CCCCO)C(=O)NN	384826098	RTQPQCVDRHLVLI-MRVPVSSYSA-N	203.286	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](C)[C@@H](O)C1	388611147	MEAPJKKLAQZIHT-XAVMHZPKSA-N	215.297	-0.687	50	10	BBGE	
Nc1c(B(O)O)cc2ccsc2c1C(=O)O	396238520	DYKVFAJXQPLTNC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1cc2c(B(O)O)csc2cc1CO	396341299	SVSMCLGVPOJJRK-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCN([C@@H]1CCCOC1)[C@H](C)C(=O)NN	402670452	CAQHYDJPUGURCT-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	404983190	LFKOIUNLPQQHBZ-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1F	575708887	SXSZNBQEFAEZEL-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@H](CO)CN(C)Cc1occc1C(=O)NN	688396331	XCKDFGODWQDEKF-QMMMGPOBSA-N	241.291	-0.057	50	10	BBGE	
C[C@@H](CN(CCO)CC(C)(C)C)C(=O)NN	689974898	VCSLRNZTGYEOPD-VIFPVBQESA-N	231.340	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21	693088858	IWMFPTAQZIHIBY-UTINFBMNSA-N	241.335	-0.154	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@H]1CCN(C)C1	693435772	HQPNGIVCQDIYCY-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
N#Cc1cccc(Cn2cc(B(O)O)cn2)c1F	694545334	YBVDUUAOIMGXIB-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOC[C@H]1CO	695062447	QYBKYCAOPVAZBQ-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC2(COC2)C1	697144394	PBCWVNBMAFGECQ-MRVPVSSYSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cnccn1	700074262	FMWVHDIZEUUKTH-SECBINFHSA-N	223.280	-0.323	50	10	BBGE	
CO[C@H]1CN[C@](C)(C(=O)NN(C)C)C1	701574344	FXWRZKNPAGMDHL-APPZFPTMSA-N	201.270	-0.654	50	10	BBGE	
CCO[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	701693879	XEZFXNYLWMATDW-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@H]2CN(C)C[C@]2(C)C1)C(=O)NN	702405245	LFEDFVXVLADMIX-JFGNBEQYSA-N	240.351	-0.504	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCOC2)C1)C(=O)NN	707277481	BACAJSLLZPHXIT-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707277610	CIIRDHLEZOKNOD-PSASIEDQSA-N	213.281	-0.523	50	10	BBGE	
Cc1cn(C)nc1CN(C)CCC(=O)NN	723523696	KFACAQPJSDLNAP-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
CO[C@H]1CCCC(=NNC(=O)C(N)=O)C1	794461120	ZLQBRIBCBKNKLJ-ZETCQYMHSA-N	213.237	-0.467	50	10	BBGE	
O=C(NNC(=O)c1ccoc1)N[C@H]1CCNC1	851672415	KATRCOBFRPQXHZ-QMMMGPOBSA-N	238.247	-0.415	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNc2cnnn2C)C1	897844963	BPPMCIWKULCVKZ-NKWVEPMBSA-N	225.252	-0.317	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNc2cnnn2C)C1	897844967	BPPMCIWKULCVKZ-RNFRBKRXSA-N	225.252	-0.317	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1nccnc1OC	910584012	RMYVELMHECSQBR-KGGZQZJCSA-N	238.247	-0.135	50	10	BBGE	
COC(=O)C(=O)NN=C1C[C@H]2CCCN(C1)C2	1353974928	DRHFYCLXVLGRLS-MRVPVSSYSA-N	239.275	-0.253	50	10	BBGE	
Cn1ccc(=O)c(C(=O)NNc2nc[nH]n2)c1	1558992253	SOCSCJOJNSJDCV-UHFFFAOYSA-N	234.219	-0.740	50	10	BBGE	
CO[C@H](C(=O)NNc1nc[nH]n1)C(C)C	1611411266	KLMDJVXLEZFMBN-LURJTMIESA-N	213.241	-0.081	50	10	BBGE	
C#CCOCCC(=O)NNC(=O)c1ccnnc1	1643024701	PBGZMAHIKHBOIZ-UHFFFAOYSA-N	248.242	-0.723	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1nn[nH]n1	1883565404	BQOAJCUSPMMMPV-IUYQGCFVSA-N	201.617	-0.443	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H](C)N	1888561547	FKFUPSHPLWLFSQ-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
CS(=O)(=O)[C@@H]1CC[C@H]1NC(=O)CCl	1891676464	JHDGFBYPTSBQAN-PHDIDXHHSA-N	225.697	-0.083	50	10	BBGE	
C[C@@H]1NC(=O)CN(C[C@@H]2C[C@H]2Cl)C1=O	1893098432	INMIZOSJJMKRTD-LYFYHCNISA-N	216.668	-0.039	50	10	BBGE	
O=C(O)CN(CCO)C(=O)[C@H]1C[C@H]1Cl	1893470559	UTKJJRMUWVHFQV-NTSWFWBYSA-N	221.640	-0.481	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(F)cn1	1894918223	DJZUGLXOOZOYNT-LURJTMIESA-N	202.189	-0.800	50	10	BBGE	
CO[C@@H]1CCN(CC(F)(F)C(=O)NN)[C@H]1C	1896021897	FXOWCDKQWFYOFO-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)NCc1noc(C(F)F)n1	1897053443	CEKCQKUOILVKOY-UHFFFAOYSA-N	207.140	-0.320	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C(C(N)=O)[C@H]2C1	1900558198	KGTVUHLCGHKOJF-SRQIZXRXSA-N	216.668	-0.197	50	10	BBGE	
C[C@@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	1901254994	IKCBZLGYUUYUHO-HQJQHLMTSA-N	219.049	-0.001	50	10	BBGE	
CCSCC(=O)Nc1ccnc(B(O)O)c1	1901551170	PIBSVHDANQFVFX-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
OB(O)[C@H]1CCN(CC23CC(F)(CO2)C3)C1	1905207624	FFQFJNLARRTZSD-IDKOKCKLSA-N	229.060	-0.194	50	10	BBGE	
O=S(=O)(CCl)N1CC(OCCCO)C1	1906562021	IXBNILOKXALUIG-UHFFFAOYSA-N	243.712	-0.404	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCOCC2=O)C1	1908358536	OUMQQPCBXMHFIH-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
CN(CCCCCC(=O)NN)C1CC(O)C1	1914572724	DXDVFHPUURKYQI-UHFFFAOYSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CN1CC2(CCOC2)C1)C(=O)NN	1915583318	OGJWHBJQXNSBJV-MRVPVSSYSA-N	213.281	-0.665	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927913679	LTDXBJZQAUCZQR-DJLDLDEBSA-N	213.281	-0.667	50	10	BBGE	
OCC1CN(C[C@H](O)CBr)C1	1929729716	QZAXKKKTMNEREH-SSDOTTSWSA-N	224.098	-0.334	50	10	BBGE	
Cn1ncnc1SCC1(C(=O)NN)CC1	1931268315	FLYORODNHNHMPQ-UHFFFAOYSA-N	227.293	-0.323	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1F	1932374859	ZWQKMBSOTOMGKC-BZNPZCIMSA-N	215.272	-0.098	50	10	BBGE	
CN(C)NC(=O)C[C@@]1(N)CCSC1	1933285871	FUHPGDFYLDCAFX-QMMMGPOBSA-N	203.311	-0.196	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCO)CC(F)F	1936095039	SSGFOKMIVDZDMJ-RQJHMYQMSA-N	237.250	-0.828	50	10	BBGE	
C[C@H]1[C@@H](C)SCCN1CCOCC(=O)NN	1936533370	HMKFUQXWTVCCGU-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
Cc1nc(C#N)n(C[C@@H]2C[C@@H]2C(=O)NN)c1C	1941090615	PQESMHFDUOHJIS-IUCAKERBSA-N	233.275	-0.002	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1941094218	WHZDTAGNGWVFFG-XWLWVQCSSA-N	241.335	-0.437	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCCOCC1	1941779248	ALMPHMYMRSIWBV-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
Cn1nc(C(=O)NNCCO)c2ccccc21	1944215649	KYFIZPXMZJOWGA-UHFFFAOYSA-N	234.259	-0.200	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCCC[C@@H]1O	1945883182	VFEOYRRYNBFCEP-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN1CCC[C@@H](CCn2cc(B(O)O)cn2)C1	1946086170	OHGDQJAPSYRUNZ-JTQLQIEISA-N	237.112	-0.705	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)CC12CCC2	1949820902	VPIXZMZAXAQTJF-LPEHRKFASA-N	241.335	-0.010	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@@H]1CCCO1	1951073594	UNCIHWDZVFVCCT-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CO[C@H](CCSC)[C@H](N)[C@@H](O)C#N	1952792400	GZSUMXOSIXLGPO-XLPZGREQSA-N	204.295	-0.034	50	10	BBGE	
O=C(NNCCO)C1(Br)CC1	1953219678	WBLUCNOMFPMGBM-UHFFFAOYSA-N	223.070	-0.473	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1CCl)[C@H]1CCS1(=O)=O	1955089148	AZJACJGSLZZAKP-FSDSQADBSA-N	237.708	-0.083	50	10	BBGE	
O=C(NCCCl)[C@H]1Cc2nncn2C1	1956501003	BMFCARLMNNTWGW-LURJTMIESA-N	214.656	-0.195	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)[C@H](C)C(=O)NN)C1	1957582217	GGQQKMUOJPAOBC-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(O)(C(F)F)C1	1961594297	HKGYYMYNTXAKPP-YFKPBYRVSA-N	223.223	-0.933	50	10	BBGE	
COC(=O)C1CN(C(=O)NC(=O)CCl)C1	1962233411	KLVPACAMKKOPEG-UHFFFAOYSA-N	234.639	-0.434	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	1962322264	MKCXGSMPICTBBZ-PSVAKVPMSA-N	213.281	-0.809	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2nncn2c1	1976537797	JIFOBQMXRODKQV-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
C[C@H](CN1CC[C@@H]1c1ncon1)C(=O)NN	1976762111	XMZCNZNOGCJFLF-RNFRBKRXSA-N	225.252	-0.558	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C2CC2)C1	1978057496	LMXXMQRZEXJEBI-VIFPVBQESA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H]1C1CC(F)(F)C1	1979249700	NTLNJEBQNJOYQE-ZCFIWIBFSA-N	233.218	-0.378	50	10	BBGE	
C=C(CCl)CN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1	1979507086	CASOAGJDLGGLQF-YUMQZZPRSA-N	243.694	-0.920	50	10	BBGE	
OB(O)c1ccc(N2CCCCCO2)nc1	1981413986	MPEITJQESPNWCP-UHFFFAOYSA-N	222.053	-0.317	50	10	BBGE	
CC1(C)CCN(c2ncccc2B(O)O)C1	1981423821	JNQYNSYQITYEEQ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C)(C)C2)n1	1981469636	WCLXJFICHMUVHY-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
COCCN(C)c1ncc(Cl)cc1B(O)O	1981471507	JEINWJNTCSCFQO-UHFFFAOYSA-N	244.487	-0.503	50	10	BBGE	
CN(C)CCOCc1ccc(C(=O)NN)o1	1982818160	DRJKEPRTCZGRAW-UHFFFAOYSA-N	227.264	-0.039	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC1(F)F	1984102335	SHRAZQQFKPTMJY-ZCFIWIBFSA-N	228.991	-0.817	50	10	BBGE	
O=c1c(B(O)O)cccn1C1CC2(CC2)C1	1984106250	BWOGCZCGDWRMLO-UHFFFAOYSA-N	219.049	-0.357	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	1985674508	OEJPBYUQEQGRHJ-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccsn1	1991345336	NHNNNGNLFKIPPB-SSDOTTSWSA-N	238.077	-0.026	50	10	BBGE	
N[C@@H]1CCN(C(=O)C=CC(=O)Cl)C[C@@H]1CO	1991649638	GBXMZJRKXJLTLO-HTQZYQBOSA-N	246.694	-0.524	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)C=CC(=O)Cl	1991655646	YHPYMXGZHHBZJJ-YFKPBYRVSA-N	244.634	-0.819	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@](CO)(C(=O)O)C1	1991686114	OKMPUQLKIHBUFI-XSSZXYGBSA-N	247.678	-0.091	50	10	BBGE	
CN(CCOC(F)F)CC1(C(=O)NN)CC1	1993960487	ZUNPKYPVBPYNPD-UHFFFAOYSA-N	237.250	-0.073	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(CCOCC(=O)NN)C1	1997256899	OTKMAVGJKXQKCH-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@H](C1)C2O)C(=O)NN	2002478829	WWFUKKLASASIKP-NFLHVTIKSA-N	241.335	-0.295	50	10	BBGE	
COc1ccc(B(O)O)cc1OCC1COC1	2004043285	PAYXNKLNYBVGCK-UHFFFAOYSA-N	238.048	-0.600	50	10	BBGE	
Cc1ncnc(OCCC(F)(F)F)c1B(O)O	2004934525	GHXLBONZNYMTPW-UHFFFAOYSA-N	249.985	-0.204	50	10	BBGE	
Cc1cc(C)n(-c2ncc(B(O)O)cc2C)n1	2005008943	GJUDCKJDSKQAIE-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
CCN(c1ncc(B(O)O)cc1F)C1COC1	2005015628	CVYCHPQXAFDBKW-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CC(C)n1nnnc1CN(C)[C@@H](C)C(=O)NN	2019562475	WCQZLKWZONTUCF-ZETCQYMHSA-N	241.299	-0.936	50	10	BBGE	
CC(C)(N)C#CC(=O)N1CCC(O)(C#N)CC1	2023923018	QHOGMNDWQDQONB-UHFFFAOYSA-N	235.287	-0.396	50	10	BBGE	
N[C@]12C[C@@H]1CN(CC(=O)NNc1ccccn1)C2	2034067676	IKAVVVVTXRPYFH-SKDRFNHKSA-N	247.302	-0.442	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(O)ncn2)CC1	2047112431	HHSJCEHVBOUKGY-UHFFFAOYSA-N	248.242	-0.327	50	10	BBGE	
Cc1ccoc1CN(C)c1ncncc1B(O)O	2052465949	FHDDVYKNMDEQCK-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
COc1ccc(C#N)c(B(O)O)c1Cl	2060103542	VYUREPQXKCCUOE-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c(F)cc(OC)cc1B(O)O	2060113953	YBPRSNLWEFTYFS-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
CO[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2079008619	LJMSAKLHYXQCJY-QWRGUYRKSA-N	249.075	-0.726	50	10	BBGE	
O=C(COC1CCC1)N1CC[C@H](B(O)O)C1	2208731839	LORAUXUPKQNKFZ-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
O=C1CNCC(=O)N1C[C@H]1C[C@@H]1Br	2209303306	DMPUPCNNCVRPAZ-RITPCOANSA-N	247.092	-0.272	50	10	BBGE	
C[C@H]1CC[C@@H]1CN(C)CCOCC(=O)NN	2211401116	WFTOMOCWWGSBKW-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCC[C@H]2C3)nc1	2212601605	QDUQLXKWTTWTGS-XVKPBYJWSA-N	219.053	-0.489	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H](C)O)cc1B(O)O	2212604747	SCUXGFWQKOCOCM-JGVFFNPUSA-N	224.069	-0.749	50	10	BBGE	
CCN(CCC#N)c1ncccc1B(O)O	2212611141	VXKHFXRQZORILS-UHFFFAOYSA-N	219.053	-0.499	50	10	BBGE	
OB(O)c1ccc(NC2CCOCC2)nc1	2212613816	YXWNMEULMZXCET-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H](CN)C2)CC1	2216017615	GHEYNOUHUVHPBW-MGCOHNPYSA-N	237.303	-0.152	50	10	BBGE	
CO[C@]12CC[C@H]1CN(CCOCC(=O)NN)C2	2216684832	RFMOORVRDSWFHN-ONGXEEELSA-N	243.307	-0.896	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C(F)(F)C23CC3)nc1	2217178609	YGZUFQBOLABBDI-LURJTMIESA-N	241.006	-0.634	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Oc1cc(B(O)O)ccn1	2217190779	GJSJTNOZYQVAPO-DTWKUNHWSA-N	236.080	-0.734	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2nccc(B(O)O)c2F)C1	2217195400	JVDHKDLBMXNLNR-NKWVEPMBSA-N	240.043	-0.841	50	10	BBGE	
CO[C@@H]1CC(=O)N(Cc2cccc(B(O)O)c2)C1	2220063868	UQTOPCWFTGVHBB-LLVKDONJSA-N	249.075	-0.886	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2223643414	VRUNMKDEKWLWRR-SKDRFNHKSA-N	247.107	-0.921	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)c(C)s1	2243381865	JTLFJBPAHGHHAB-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
NCC1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382060	LCOQZTVFWQFEDB-VGKQMMLZSA-N	226.085	-0.907	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N(C)C1CC1	2243385996	SCFNTDRPCHWFDQ-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
CS[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)C1	2243401188	NMZXHJCFVJGZJC-IUCAKERBSA-N	241.121	-0.256	50	10	BBGE	
CCN(C(=O)c1nscc1B(O)O)C(C)C	2243410253	XZCHKIQDPDBIDQ-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
O=C(NCC1CC(O)C1)C1CC(B(O)O)C1	2243413352	FAMIVHLXBVCLAL-UHFFFAOYSA-N	227.069	-0.874	50	10	BBGE	
C=C(CS(=O)(=O)NCCC=C=CC)B(O)O	2243415520	WWEPQYXEKHJWAP-UHFFFAOYSA-N	245.109	-0.405	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)c(C)s1	2243415916	FFECYXBXBHZLFN-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
O=C(NOCC(F)(F)F)[C@H]1C[C@H](B(O)O)C1	2243420503	UREQRHDVOQDKHX-URHBZAFASA-N	240.974	-0.151	50	10	BBGE	
CCOCCN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243426232	FYGPPFCZVKDYQV-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
CCNC(=O)CCN1CCC(B(O)O)CC1	2244180395	MZQRCTUHZKSHGR-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1cocc1B(O)O	2244214553	UOEGXWGWBFCELO-SVGQVSJJSA-N	243.455	-0.684	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)co1	2244221034	JJQKHEPBYZWBPT-ARJAWSKDSA-N	223.037	-0.345	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1[C@H]2CCC[C@H]21	2244546200	IGJQBHVDXLLRDD-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
C#CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CC(C)C1	2244948253	DIFNWUFIXXVYIV-QMFGVRBNSA-N	221.065	-0.233	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@H](C(=O)O)CO1	2246545376	BGXJTHYGQJFDSF-JGVFFNPUSA-N	245.279	-0.358	50	10	BBGE	
CC(=O)c1cccc(NC(=O)C#CB(O)O)c1	2247739994	DTWYIZIHOOKRJN-UHFFFAOYSA-N	231.016	-0.157	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2247744778	YBRQHTUXVNALRM-BHNWBGBOSA-N	243.018	-0.496	50	10	BBGE	
CN(C[C@H]1CCN1C)C(=O)C1(B(O)O)CCC1	2247754523	MLJWDGFTXQDEEF-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C=CCCNC(=O)c1ccc(F)c(B(O)O)c1	2247760871	PFCYTGHMIRXTMB-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1c[nH]nc1B(O)O	2247800204	MJMGNYYXMWSWRD-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2CCN[C@@H]2C1	2247803257	AHJKKCDFNWZAKL-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
CCN1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247809285	OQCLJHKNCLVKAB-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)C1CC(B(O)O)C1	2247810018	TVGHFFNQFFCUBC-RTBKNWGFSA-N	240.112	-0.598	50	10	BBGE	
CCC(CC)(CN)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247810066	ULTRSTRPCCQVEA-DTWKUNHWSA-N	242.128	-0.175	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN(C(=O)C2(B(O)O)CC2)C1	2247870433	JQUGDQFVMDGQTD-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247872062	MDXGEAAFRFVIOP-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CC(C)C1(O)CN(C(=O)C2(B(O)O)CCC2)C1	2247880061	YAGWEPKRZCSWGJ-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
CC[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247885187	GYXURYQLULAGMS-BQBZGAKWSA-N	239.084	-0.746	50	10	BBGE	
CCCOCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887975	UJARWOJBSNUINQ-UWVGGRQHSA-N	241.096	-0.266	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CCO[C@H]2C1	2247908891	BNCJSYMORBNSGV-WOOKNIGNSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247910264	OAMPFCQIFNFHJD-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1cocc1B(O)O	2249424048	NREOBGTZMSKEDH-HQJQHLMTSA-N	235.048	-0.368	50	10	BBGE	
COCC[C@H](C)NC(=O)c1cocc1B(O)O	2249433538	NMMJAIHYRUIXOG-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2249589813	GSCMCKICUWQOAP-WNPHYYBUSA-N	239.080	-0.921	50	10	BBGE	
CC1(OC[C@@H]2CCC[C@H](C(=O)NN)O2)COC1	2250802085	CEAAFQBNRSWGHZ-DTWKUNHWSA-N	244.291	-0.281	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2[nH]c(O)cc2c1	2255466609	BGURZZLXAURJPW-UHFFFAOYSA-N	244.015	-0.173	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2(C)CCC2)n1	2255486905	HPHLBEAOHAJYCM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC2CC1C2	2255505807	ZSAQKIHEQSVEEI-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
CC#CCCNC(=O)c1cccc(C)c1B(O)O	2255510314	VIXCDMURFWHJMR-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
CC1=C[C@H](NC(=O)c2ncccc2B(O)O)CC1	2255516835	QJPFKXAJMMGKNS-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cn2)C1	2255520797	OQNQCNJIQACODA-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ncccc1B(O)O)C2	2255523005	QBCZNSBGYPUSNN-UFBFGSQYSA-N	246.075	-0.757	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1CC=CC1	2255583284	MMNFSSYJNAZIBC-SSDOTTSWSA-N	249.079	-0.826	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1c[nH]nc1B(O)O	2255583320	MTQGSTRMKWNRGV-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC(C#N)C1	2255677458	ILRIESOHMYLICF-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
Cc1ccccc1NC(=O)c1cc(B(O)O)n[nH]1	2255764304	ZWXZHQFTXXIUGA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC[C@H]2C[C@H]21	2255890798	BIYGPNSFAPRQCO-GZMMTYOYSA-N	246.075	-0.008	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1cocc1B(O)O	2258138643	MOEDSASEZXCHBP-VAOFZXAKSA-N	249.075	-0.122	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)C1(B(O)O)CC1	2298367981	GGWQQSMQPVLEEO-XSPKLOCKSA-N	238.096	-0.765	50	10	BBGE	
CC1(C)CCO[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368808	ZDNXWPVONGAGQF-VGMNWLOBSA-N	241.096	-0.219	50	10	BBGE	
CC[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298369714	CCOXAUSHGNCLIH-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371267	FRCUPUAXESWWKB-UTINFBMNSA-N	241.096	-0.364	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]2[C@H]1CO	2298371774	VBJHVBNWDPIFAN-VVULQXIFSA-N	239.080	-0.921	50	10	BBGE	
C[C@@]1(CO)C=CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298377648	YMGKGGYIZDMVCW-YWVKMMECSA-N	239.080	-0.611	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300371579	NHKOXMPWOVYUJL-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CO)CNc1ccc(B(O)O)cc1C#N	2301338978	OKUVPNVUIVRJBC-MRVPVSSYSA-N	234.064	-0.722	50	10	BBGE	
CC[C@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2301419912	WUSNUVPTTZBRPX-SECBINFHSA-N	237.064	-0.638	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC=CCO1	2301817493	HHUGSPIIOIOVGC-YWVKMMECSA-N	239.080	-0.299	50	10	BBGE	
COCCOC1CN(CC(B(O)O)=C(C)C)C1	2301953833	UGINREWMWWUHCR-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C[C@H]2CCOC2)C1	2303110923	FHOFZXZWXMZECU-KOLCDFICSA-N	241.096	-0.122	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H](C)C(=O)NC)C(=O)NN	2303427366	XRLPYFFXDJFBLF-KCJUWKMLSA-N	244.339	-0.541	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@H](O)C1	2317160901	JPYLCZHUGPVCTJ-JLIMDTESSA-N	246.075	-0.579	50	10	BBGE	
NNC(=O)c1ccc(N2CCNCC2)nc1	40538662	NXLXTKGLNGFLCF-UHFFFAOYSA-N	221.264	-0.905	50	10	BBGE	
C[C@@H](Oc1ccc(CO)cc1)C(=O)NN	82465530	XPKUMNJKQBVALB-SSDOTTSWSA-N	210.233	-0.064	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)CCO1	82466174	AGQWJZLKRPUHMQ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(N)CC1	86313654	QPHDYJLDTQGSHW-JGVFFNPUSA-N	214.313	-0.576	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](C)[C@@H](C)C(=O)NN	93072062	PAXRQWFKLITCNN-RKDXNWHRSA-N	244.339	-0.412	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCOCC2)O1	110584370	BQRIXZVRAJMQLH-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
O=C1C[C@@]2(CCN(C(=O)CCl)C2)CN1	170279644	LETCDIZEXBFDDW-VIFPVBQESA-N	216.668	-0.036	50	10	BBGE	
COc1cc(B(O)O)ccc1OCC(C)(C)O	200566991	ACDSDLVVCZPERB-UHFFFAOYSA-N	240.064	-0.475	50	10	BBGE	
OB(O)c1cncc(OCCc2cccnc2)c1	203523981	CIYOKVWNHNSMOV-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
CCC[C@@H](SC[C@H](O)CO)C(=O)NN	211811821	FZVOCVIINFDXDG-RNFRBKRXSA-N	222.310	-0.769	50	10	BBGE	
COCCCCOc1cncc(B(O)O)c1	228700779	YCOUIQMQBSSUBJ-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
COC[C@@H](Sc1cnccn1)C(=O)NN	232421176	MSLQMVAGVWXHFH-ZCFIWIBFSA-N	228.277	-0.426	50	10	BBGE	
COC[C@@H](Sc1nccn1C)C(=O)NN	232421196	OWZYFKOURHJWML-ZCFIWIBFSA-N	230.293	-0.483	50	10	BBGE	
C[C@@H](O)C1CCN([C@H](C)CC(=O)NN)CC1	235248819	PDGIQWMTIIEWRP-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
C[C@]1(O)CCN(Cc2cc(C(=O)NN)no2)C1	235758611	WIOLQFOZQHKIIF-JTQLQIEISA-N	240.263	-0.765	50	10	BBGE	
O[C@H]1CN(CCOCCCl)C[C@@H]1O	236574341	SJWBCBFLQZUUKT-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
CCOC(=O)c1cnc(F)c(B(O)O)c1	238273796	JQVVOTIVQVDQCE-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
O=C(O)c1nc(Br)ccc1B(O)O	238620073	BQTUGMRYGHXNGC-UHFFFAOYSA-N	245.825	-0.778	50	10	BBGE	
O[B-](O)(O)c1ccc(OC(F)(F)F)cn1	238854036	MGHSKGJCEFATDO-UHFFFAOYSA-N	223.923	-0.897	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	300021159	UBTLLGUMKAINAQ-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
NC(=O)NNC(=O)c1cc(Cl)c[nH]1	306733348	SZEFEKJICWLDRD-UHFFFAOYSA-N	202.601	-0.019	50	10	BBGE	
Cn1ncc(CN[C@H]2COC[C@H]2Cl)n1	307055493	ZDEQEKUVUSXSOY-SFYZADRCSA-N	216.672	-0.089	50	10	BBGE	
O[C@@H]1[C@@H]([C@@H](Cl)CCl)OC[C@H]1O	307264797	CMNHSCHIWCYDLB-BGPJRJDNSA-N	201.049	-0.047	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	307581691	RUKQHUHDVFZDEJ-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
CC[C@@H](C)[C@@H](N)C(=O)NNC(=O)C1CC1	308854526	SLQJGIKORWPZOD-HTRCEHHLSA-N	213.281	-0.083	50	10	BBGE	
Cc1ccc(CN2C[C@H]3C[C@H]2CO3)cc1B(O)O	313735560	INIBJYZHJVZMDF-NWDGAFQWSA-N	247.103	-0.352	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCN1CC(=O)NN	379806571	MMIFPZAPPSFNHH-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C[C@@H](C)OC	383059367	HUMVVGBWPXKJHH-DTWKUNHWSA-N	217.313	-0.031	50	10	BBGE	
O=C(O)C[C@@H](SCCB(O)O)C(=O)O	393657533	KUCYSIUOHBXETP-SCSAIBSYSA-N	222.027	-0.880	50	10	BBGE	
COC[C@@H](O)CN(C)CCC(C)(C)C(=O)NN	395601137	CCWGBXUNLDSYNB-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
COC[C@@H](O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395603873	DUKSCLICQYCHDE-DTWKUNHWSA-N	247.339	-0.670	50	10	BBGE	
COc1cc(CC(C)=O)ccc1B(O)O	396019794	GVRZDCXHMMVCCQ-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1CC#N	396139423	SMGQRLMWRUAONC-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
Nc1cc2c(C(=O)O)csc2cc1B(O)O	396249022	VVECNPMTSYBLCE-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CNC(=O)NCCN=c1[nH]nc(CCCl)o1	397410369	MGFJICLALZJRPY-UHFFFAOYSA-N	247.686	-0.386	50	10	BBGE	
CN(CCCCC(=O)NN)CC[S@](C)=O	399889800	HMCSZNIRNKOEHC-HNNXBMFYSA-N	235.353	-0.543	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(F)(F)CC1	404801197	UKURUGIJNXMEFX-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
NC(=S)NNC(=O)c1cnc(Cl)cn1	606288131	KYKIFEVMCNJZTH-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
Cc1nccnc1COc1cncc(B(O)O)c1	687300256	SELUMUZZAKIOSH-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@H](C)CCC(=O)NN	689810873	NFYYDMHFUDUWQX-MWLCHTKSSA-N	247.339	-0.526	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@H](CO)C1	699488501	FMVIHVJUWFRAQA-DTWKUNHWSA-N	222.716	-0.806	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1(CO)CC1	703449881	WXFSUBZEUPQERW-HTQZYQBOSA-N	225.244	-0.325	50	10	BBGE	
COCCOC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	707345931	HSILTHHSVBJECJ-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718260010	PCWFMRUWPUCANN-RCZSTQMZSA-N	239.319	-0.136	50	10	BBGE	
NC(=O)N1CCN(S(=O)(=O)CCl)CC1	721660253	AVIKBMRPHVNNNE-UHFFFAOYSA-N	241.700	-0.791	50	10	BBGE	
C/C=C/C(=O)NNC(=O)[C@H]1COCCO1	744651998	BYBHIYOENRVGPL-TYWZFMJISA-N	214.221	-0.875	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCOCC1)C1CC1	746093558	RYMYEUYXWWYJDM-SECBINFHSA-N	242.275	-0.669	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cnn[nH]1	772859457	OTJMIQIGNDLWMB-BQBZGAKWSA-N	237.263	-0.142	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccn(C)n2)n1	1183378030	LWLZTHCLPDUDIL-UHFFFAOYSA-N	220.236	-0.090	50	10	BBGE	
NC[C@H]1CC(C(=O)NNc2ncccn2)=NO1	1328444150	XSVCCCGSNXKIFV-ZCFIWIBFSA-N	236.235	-0.977	50	10	BBGE	
COC(=O)NNC(=O)c1cc(O)ncn1	1457489207	RTSLGFFLOVEZMB-UHFFFAOYSA-N	212.165	-0.817	50	10	BBGE	
Cn1nncc1NNC(=O)c1cncnc1	1472570171	PWICEWUQWFXCBJ-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
O=C(NNC(=O)c1cocn1)c1cn[nH]c1	1530259668	OMEAIWODOWZACV-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1nc[nH]n1	1626813044	PJGYPPLGVGKHNV-UHFFFAOYSA-N	226.240	-0.912	50	10	BBGE	
CN(NC(=O)c1cn2c(n1)COCC2)C(N)=O	1632039573	RBXCYTRWSAPTHH-UHFFFAOYSA-N	239.235	-0.931	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@H]1C[C@H](O)CN1	1877393432	GTDXZGKDQKHULZ-VGRMVHKJSA-N	218.684	-0.547	50	10	BBGE	
C[C@@H](N)CS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883564065	PWBDFASKOOESQW-QYNIQEEDSA-N	226.729	-0.120	50	10	BBGE	
O=C(O)[C@@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1883634729	NTSMJULQFYDPLO-YUPRTTJUSA-N	207.613	-0.825	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H](N)C1CS(=O)(=O)C1	1883675275	MSNNHAUGIAXATF-NJGYIYPDSA-N	225.697	-0.445	50	10	BBGE	
CC[C@H](OC[C@H]1CCN1C)C(=O)NN	1886370197	IXMZYSAHMMXGHS-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)C(C)(C)C(=O)N1	1886711805	BLVVAPRAQBRXHK-RXMQYKEDSA-N	200.242	-0.831	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1C[C@@H](N)CCO1	1887241156	WMHCEBCYIFMZGD-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1Cl	1893454332	VZYWGNGFVRTSRK-BWZBUEFSSA-N	218.684	-0.200	50	10	BBGE	
O=C1C[C@H](CNC(=O)[C@@H]2C[C@H]2Cl)CN1	1893470138	PTZBWYYAGBVYQA-RRKCRQDMSA-N	216.668	-0.134	50	10	BBGE	
CCN([C@H](C)CC(=O)NN)S(=O)(=O)C1CC1	1894147460	IHTWFJPVHRKBIW-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@@H](O)C#N)nc1	1894483460	ANMKIIYYQFPKMB-DTWKUNHWSA-N	221.216	-0.248	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	1896272290	QQPJHXQIRDLGFA-XFWSIPNHSA-N	224.308	-0.999	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@H]2C(=O)NN)C1	1899510283	PLXWEDQJTFWXCR-VHSXEESVSA-N	227.308	-0.419	50	10	BBGE	
C=CC[C@@H]1CCC[C@@H]1NC(=O)C#CB(O)O	1900366920	JXCBGDFUFGPRPH-ZJUUUORDSA-N	221.065	-0.137	50	10	BBGE	
CN(NC(=O)C1(N)CCCCC1)S(C)(=O)=O	1901373734	OIPNZAVJSTWHEJ-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
Cc1nnc(CN2CC[C@@H](B(O)O)C2)n1C	1902506495	UFOXEUYVZDHPIT-MRVPVSSYSA-N	224.073	-0.828	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H](F)C2)cc1B(O)O	1905088631	QZEQYJAKMGFKMP-ZKCHVHJHSA-N	224.044	-0.018	50	10	BBGE	
OB(O)c1ccn(C[C@H]2O[C@H]3CC[C@H]2C3)n1	1905108068	CDNSTPRZUAYEKS-XHNCKOQMSA-N	222.053	-0.870	50	10	BBGE	
CCOCCOCCOC[C@@H]1C[C@H]1C(=O)NN	1908282741	IKKOOHCPVZVSAD-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
C[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)NN	1912216976	ZXWBLFLOGTXQPP-ZETCQYMHSA-N	247.254	-0.091	50	10	BBGE	
CC[S@@](C)(=O)=NCc1ccc(B(O)O)cc1	1913884651	SLBLMVDRSTUFIK-MRXNPFEDSA-N	241.121	-0.016	50	10	BBGE	
Cc1noc(C)c1CC(=O)NNCCO	1929836814	PNNZNCDMWGICCS-UHFFFAOYSA-N	213.237	-0.553	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1[C@H](C)C(=O)NN	1930115750	JXFMLESSYBPRGC-BZNPZCIMSA-N	215.297	-0.544	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC=CCO2)C1	1931383734	ULCFBHJDDOHHEH-MRVPVSSYSA-N	211.265	-0.604	50	10	BBGE	
CC[S@](=O)N(C)Cc1sccc1B(O)O	1935214040	LMUGEBPCPXSRJC-HNNXBMFYSA-N	247.150	-0.457	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCO2)CC1	1935277184	XZGHVPUEHOKWNE-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1936027481	YAPIDOKBQUBLJU-HRDYMLBCSA-N	233.287	-0.450	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	1936086599	YOHOSBVHADKHTK-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CCN(C(=O)NC(=O)CCl)[C@@H]1C(N)=O	1937134633	CRPGEVVAZXLKGZ-FSPLSTOPSA-N	247.682	-0.343	50	10	BBGE	
CCC1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941084763	ILIGUQKQLIUHFC-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C(CO)[C@@H]2C1	1943069430	AEJLCBGSOMPNTR-FXPVBKGRSA-N	241.335	-0.439	50	10	BBGE	
Cc1cnn(C)c1CN(C)C[C@@H](C)C(=O)NN	1945337322	NPXCFZDKTOAPHW-SECBINFHSA-N	239.323	-0.214	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)CC1(C(=O)NN)CC1	1945884342	OYBNMAJABXPWNI-MRVPVSSYSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@@H](C2=O)C3(F)F)CC1	1945890840	BKVXKZZDAXWPQG-RITPCOANSA-N	245.229	-0.520	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1951017428	CEKFKIZZEFEASK-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
CO[C@@H]1CCC[C@H](C(=O)NCB(O)O)C1	1951321814	IBBQJFTUCNWVNY-JGVFFNPUSA-N	215.058	-0.680	50	10	BBGE	
CC(C)(C)C(=O)NCCNC(=O)NN	1955280275	QVUCRAGRPXVADQ-UHFFFAOYSA-N	202.258	-0.678	50	10	BBGE	
CN(C)C(=O)C1(NS(=O)(=O)CCl)CC1	1955427482	FYLBCRBSGRANFZ-UHFFFAOYSA-N	240.712	-0.277	50	10	BBGE	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NN	1956772292	KZTBSBPDIBFZKJ-PHDIDXHHSA-N	221.282	-0.923	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)CCCC(=O)NN	1958270366	RMVCNJJDZWZSGD-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1976640922	PWRXAORJYIBDBH-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1CNC(=O)C(=O)NN	1977350126	OKCPTGSWSHTERI-MHTLYPKNSA-N	239.197	-0.319	50	10	BBGE	
CCCN1CCCN([C@@H](C)C(=O)NN)CC1	1980743123	FWTPBKDJNZQNTK-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCSCC1(C)C	1980963318	AISQNJGVGGOXNP-QMMMGPOBSA-N	247.364	-0.181	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(F)(F)C[C@H]1C	1981239428	KFWNLAGCYDENGH-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
CC(C)[C@@H](C)N(C)c1ncc(B(O)O)cn1	1981408537	BSWSNFVIWMTDQZ-MRVPVSSYSA-N	223.085	-0.363	50	10	BBGE	
CN(CC1CCC1)c1ccc(B(O)O)cn1	1981413418	GLUHMYJCEUCIHF-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCOC2)nc1	1981431484	ZLUIPOULPKYIOH-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C[C@H]1CC[C@H](C(=O)NN)O1	1981532437	GMBQUURJUHDRGU-DOLQZWNJSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2O	1981542893	GOSRQJMTKPAGHG-NZDCWBGLSA-N	227.308	-0.687	50	10	BBGE	
COC[C@H]1CN(CCCC(=O)NN)C[C@@H]1C	1982497513	NWJJKCCQGCITOV-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C#C[C@@H](CCl)N=c1ccc2nnc(O)n2[nH]1	1983015224	FNIVJGVUSZOSEG-LURJTMIESA-N	237.650	-0.096	50	10	BBGE	
CN1CC(N(C)CCC(F)(F)C(=O)NN)C1	1984132045	MKXWGLRJXXHXDY-UHFFFAOYSA-N	236.266	-0.753	50	10	BBGE	
C[C@H](CN(C)CC[C@@H]1CCOC1)C(=O)NN	1991027646	XHZNXCNBLBEOQG-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1COCC1(F)F	1991604945	VNCVVVRNRHIJND-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
O=C(C[C@H]1C[C@H]2C[C@H]2C1)NCC#CB(O)O	1992125163	OHYUDNIUOQMQNU-OWUUHHOZSA-N	221.065	-0.446	50	10	BBGE	
CC1CN(C(=O)c2ccccc2B(O)O)C1	1992837429	YICRQDKFROYDLG-UHFFFAOYSA-N	219.049	-0.542	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]1c1ncon1	1997767547	UOKGAWFEBCYMAS-QMMMGPOBSA-N	239.279	-0.023	50	10	BBGE	
CC[C@]1(C)CC(=O)N(CCOCC(=O)NN)C1	2003993537	VRKCDOJMHDBFIU-LLVKDONJSA-N	243.307	-0.359	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1c1nccn1C	2004406343	FWNXXVKUAWUZIR-RKDXNWHRSA-N	237.307	-0.065	50	10	BBGE	
CCOC[C@@H](C)Oc1cc(C)c(B(O)O)cn1	2004928756	GCURIPFKRLQJEX-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CC(F)(F)C1CN(c2ncccc2B(O)O)C1	2004930211	RYSQLURGCJXWDS-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2cnc(C)c2C)n1	2004991959	XRYXCNQIHDMHRP-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
COc1nc(N(C)CC2CC2)ncc1B(O)O	2005014734	PUKYNBJHQCKBEU-UHFFFAOYSA-N	237.068	-0.989	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008974683	HXJHYODHODIQNZ-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
COc1cccc(CN(C)C(=O)C(=O)NN)n1	2010859916	ICXOGRGIBIFEOP-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
O=C(NCCc1ccccc1B(O)O)C1CC1	2014361992	XKQGLZOGDUCPSS-UHFFFAOYSA-N	233.076	-0.565	50	10	BBGE	
COC[C@H](C)COC[C@@H]1CC[C@H](C(=O)NN)O1	2026062174	PUBRAWIRNMWECS-LPEHRKFASA-N	246.307	-0.177	50	10	BBGE	
CN(CC=O)CC(=O)NNC(=O)c1ccccc1	2029115579	ZXUCVFQQLYTOEG-UHFFFAOYSA-N	249.270	-0.422	50	10	BBGE	
NNC(=O)C1(Cn2cnc3c(N)ncnc32)CC1	2033728977	WJFFDGRNYZBKSK-UHFFFAOYSA-N	247.262	-0.821	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1nc(C)ncc1B(O)O)C2	2052627402	LFCPDQCBBGITRL-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2072626151	XFZJQPMOEFZXDN-VHSXEESVSA-N	249.318	-0.157	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(CCCO)C1	2210006047	MYYUHTZSBLOXPC-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1C[C@@H]2C[C@@H]2C1	2212275405	GGXUACFLXFQDNK-ILWJIGKKSA-N	227.308	-0.277	50	10	BBGE	
C=CC[C@H]1CCN1c1ncccc1B(O)O	2212605842	KVEJWUDTSJZGGR-VIFPVBQESA-N	218.065	-0.084	50	10	BBGE	
OB(O)c1ccc(NC2CC(CF)C2)nc1	2212610415	IJDMIUBRMDLSBM-UHFFFAOYSA-N	224.044	-0.079	50	10	BBGE	
CC[C@H]1CC[C@@H]1Nc1ncc(B(O)O)cn1	2212613627	XPSPXSNDVPJJKN-CBAPKCEASA-N	221.069	-0.243	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)CCC12CC2	2214780011	IBRFPQZNQGFUMV-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@@]2(CO)C1	2215773928	UXQMAHLPGTWURE-XNDJQWLSSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1ccnc1[N+](=O)[O-]	2215775391	GQJSUKJTHQWUFK-RNFRBKRXSA-N	239.235	-0.193	50	10	BBGE	
CC(C)C[C@H](CN)Nc1ncccc1B(O)O	2217171818	FOIIYFDCFKYQNV-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
C[C@H](COC(F)F)Nc1ccc(B(O)O)cn1	2217173022	OCZNWHBDOQIDOR-ZCFIWIBFSA-N	246.022	-0.199	50	10	BBGE	
Cc1cnc(N2CCC(F)(F)C2)cc1B(O)O	2217180153	FRQJRBJZUHRFSY-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
CCN(C[C@@H](C)O)c1nccc(B(O)O)c1F	2217183945	PEMASRMMNSDCOV-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
N[C@@H]1CCC[C@H]1COc1cc(B(O)O)ccn1	2217189153	YXMGWESBFVDTNI-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](CN=c1ncc(B(O)O)c[nH]1)C(F)(F)F	2217198158	XNGGPSYJWWJDSB-RXMQYKEDSA-N	249.001	-0.811	50	10	BBGE	
C[C@@H](CN=c1ncc(B(O)O)c[nH]1)C(C)(C)C	2217201993	SPVOYZBXZQKHFX-QMMMGPOBSA-N	237.112	-0.328	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H](O)C23CCC3)c1	2220070765	ILVSCGUIAFUULA-LBPRGKRZSA-N	247.103	-0.534	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](Nc1ncc(B(O)O)cn1)C2	2223643320	UPFZQHBGAZDZNX-IQJOONFLSA-N	249.079	-0.864	50	10	BBGE	
C#CC[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223646506	LKTSHSBJDJOBQV-NSHDSACASA-N	244.103	-0.081	50	10	BBGE	
CC[C@@H](O[C@H]1C=CCOC1)C(=O)NN	2241729662	VKMVCQRYUBSBBU-JGVFFNPUSA-N	200.238	-0.274	50	10	BBGE	
C#CCN(OC)S(=O)(=O)N1CC(Cl)C1	2241802955	HNKMTKPLBMNZFP-UHFFFAOYSA-N	238.696	-0.349	50	10	BBGE	
O=C(CCCCl)N1CC[C@@H]1[C@@H](O)CO	2241811011	KWQHJLBWEOTEJD-SFYZADRCSA-N	221.684	-0.041	50	10	BBGE	
CCN1C(=O)CC(=O)N(C[C@@H](O)CCl)C1=O	2243057416	VAIFTNKKEMPWJJ-LURJTMIESA-N	248.666	-0.213	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1C[C@H]2C[C@H]2C1	2243378804	ZOTSXZHZNDJFJI-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
C[C@@]1(NC(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2243401469	ROTBXKWBGFTXME-CAHLUQPWSA-N	234.970	-0.541	50	10	BBGE	
C[C@H]1CN(C(=O)c2nscc2B(O)O)[C@@H]1C	2243409864	QERHHZIYUNCEBV-NTSWFWBYSA-N	240.093	-0.697	50	10	BBGE	
O=C(NCc1ccncc1)[C@@H]1C[C@@H]1B(O)O	2243415461	VJUQKSPLDQGXCS-BDAKNGLRSA-N	220.037	-0.439	50	10	BBGE	
C=CC[C@H](CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427619	YDMVJKQCHSJSHS-CIUDSAMLSA-N	227.069	-0.850	50	10	BBGE	
OC[C@H]1C[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913564	UEULQDAZGSTSQC-SVGQVSJJSA-N	242.471	-0.793	50	10	BBGE	
C=C1C[C@H]1CN=c1cc(B(O)O)c(Cl)c[nH]1	2245913631	VDDGIKMRIQLILQ-ZETCQYMHSA-N	238.483	-0.175	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccc(B(O)O)o1	2247747566	PEKOXMFMKZRRTO-BQBZGAKWSA-N	235.048	-0.655	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1cncn1C	2247751020	ROGYWGUBIIKPMX-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
C[C@@]1(CO)CCCCN1C(=O)C1(B(O)O)CC1	2247753553	APRBGVFHDZYGIR-JTQLQIEISA-N	241.096	-0.243	50	10	BBGE	
CC(C)[C@@H](N)CCN(C)C(=O)C1(B(O)O)CC1	2247757091	VFOMFGYZIFCFNX-VIFPVBQESA-N	242.128	-0.175	50	10	BBGE	
O=C(N1C[C@@H](O)C12CCC2)C1(B(O)O)CCC1	2247757891	SKPWJAJAOBXUDF-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(CC1)COC2	2247796504	AEVDIVWJMISIRV-BDAKNGLRSA-N	239.080	-0.512	50	10	BBGE	
CO[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1F	2247800993	VWANVMTVRKQLSV-YNTFGVKOSA-N	245.059	-0.565	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COC[C@H]2C1	2247809765	RFVRURLSOURWMY-XWJSGITJSA-N	239.080	-0.656	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2247842362	TVDGGGGGRGGVRS-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CO[C@@H](C2CC2)C1	2247850025	IVONNOXNYCKGBP-VHSXEESVSA-N	237.064	-0.972	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC(C(F)F)C1	2247853808	RXVVFVKLKNTFRC-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1C[C@@H]1C	2247867711	LCCACDSNZLCZGZ-XPUUQOCRSA-N	237.064	-0.346	50	10	BBGE	
CCCN(CC)C(=O)c1ccc(B(O)O)cn1	2247869179	NEEKZEXTUOFQPZ-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H](C)CF	2247874248	PDJIEPWWSMIZGS-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C[C@H](O)CC(C)(C)CNC(=O)C1(B(O)O)CC1	2247878503	KVNOMORZKKSOAB-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
N[C@@H]1CCCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247879070	PXNZDJRALCWKQL-RKDXNWHRSA-N	240.112	-0.230	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1N(C)C	2247897059	NNBGUNSNSRKZGK-KYXWUPHJSA-N	240.112	-0.742	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CCOCC1	2247898990	JCGNKTFMIHHIAX-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)C1CC(B(O)O)C1	2247910285	OFRBKBIIQPJZCZ-SPGGCIFMSA-N	239.080	-0.467	50	10	BBGE	
O=C(O)C1=CCN(C(=O)C2(B(O)O)CC2)CC1	2248573592	GZPDLZCHLGPAED-UHFFFAOYSA-N	239.036	-0.763	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248587504	QFHJGHFVJJWJQO-VWDOSNQTSA-N	247.031	-0.833	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC[C@H]1O	2249933039	PTGFXGKMWGXNRD-TURQNECASA-N	241.096	-0.483	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NCCC#CB(O)O)CO1	2250004741	OMRXQMUDKZGHFC-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
CN1CC[C@](C)(COC[C@@H]2C[C@H]2C(=O)NN)C1	2253318597	DSNBOJGKFSXJNZ-UMNHJUIQSA-N	241.335	-0.029	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(F)cc1B(O)O	2255498770	VWZYFUBJCKUYOJ-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ncccc1B(O)O	2255519156	UAXWCAWJCRFVQS-LBPRGKRZSA-N	248.091	-0.224	50	10	BBGE	
Cc1nccnc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2255572224	WSJYSVKDXQDUQX-RKDXNWHRSA-N	249.079	-0.394	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1ncccc1B(O)O	2255716688	TXCHHJWENWPARH-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
C#CCC1(C(=O)Nc2cc(B(O)O)ccn2)CC1	2256638677	JFOLROJGMOTSSJ-UHFFFAOYSA-N	244.059	-0.497	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298462836	DRUMIJPJQRQSHE-WCTZXXKLSA-N	243.068	-0.535	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@H]1C2	2298633726	DWQKVHJBZUUVAB-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2C[C@H]1C(=O)N2C	2299225201	ZHASWTCTPAJDOG-CIUDSAMLSA-N	240.307	-0.940	50	10	BBGE	
CC[C@@](C)(CN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	2303441606	ZGANFFVXXXBFED-CVJICSNFSA-N	239.275	-0.603	50	10	BBGE	
OB(O)c1cccnc1N1Cc2cccnc2C1	2315384879	OIUJLGSLLMWDOA-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1c1ccc(B(O)O)cc1C#N	2317151599	SIKHCAVMDPTHAA-LDYMZIIASA-N	246.075	-0.802	50	10	BBGE	
Cc1nnccc1C(=O)N1CC[C@@](C)(B(O)O)C1	2319679156	DLSZUJKWSUFACY-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H]1CCO	82466505	ZZBNDEQQAKYVEO-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)CN1CCCN2CCC[C@@H]2C1	82469362	PYKGGTZLCNKDPC-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
C[C@H](CN1CCO[C@H]2CCC[C@@H]21)C(=O)NN	82469851	NIVGKAREABITNN-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CCOc1ccc(NC(=O)C(=O)NN)cn1	87400045	OEKSRNUBZZBLJQ-UHFFFAOYSA-N	224.220	-0.591	50	10	BBGE	
C#CCOCCC(=O)NNC(=O)CSC	89995659	PGOJNMYTHMXULH-UHFFFAOYSA-N	230.289	-0.463	50	10	BBGE	
C[C@H](CN1CCCN2CCC[C@@H]2C1)C(=O)NN	110584504	MQVXLAZIWWLBMV-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)c1cnn(C)c1	149103426	BOCQFSXMZQEGGP-ZETCQYMHSA-N	241.251	-0.678	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H](CO)C1	166151932	VDKGOZIXUBYYIA-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
N#CCC(=O)NCCNC(=O)C(Cl)Cl	169908953	DLWJGXFECZDJGY-UHFFFAOYSA-N	238.074	-0.064	50	10	BBGE	
CNCC(=O)NNC(=O)Cc1ccccc1F	193129967	ARGMEGMLRPCDMP-UHFFFAOYSA-N	239.250	-0.265	50	10	BBGE	
CC(C)(/C=C/C#N)[C@H](O)C[C@H](O)C(N)=O	200950643	STLIVLFQHMYSKM-XMYQNILUSA-N	212.249	-0.310	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2CC1	210197913	MLECMDWXHVGIBO-WDSKDSINSA-N	207.189	-0.819	50	10	BBGE	
O=C1NC(=O)N2NC[C@H](Br)[C@H]2N1	215247704	POLZQRMBLYNOFA-HRFVKAFMSA-N	235.041	-0.671	50	10	BBGE	
ClCc1nncn1N1CCOCC1	215271504	SHDXDJRMSCLTPR-UHFFFAOYSA-N	202.645	-0.015	50	10	BBGE	
O=S(=O)(CCCl)N1CCO[C@H](CO)C1	232300620	BNIRNOHMTQSJKP-ZETCQYMHSA-N	243.712	-0.752	50	10	BBGE	
COCC1CCN([C@H](COC)C(=O)NN)CC1	232420280	OPTIKLWAFFQZQS-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
CCC1(SC#N)C(=O)NC(=O)NC1=O	238233585	NJTYLTSGNVTAEB-UHFFFAOYSA-N	213.218	-0.285	50	10	BBGE	
CCCCCC(=O)N[C@H](C#N)C(=O)NN	238249472	WZZZMBQRONPLLG-SSDOTTSWSA-N	212.253	-0.435	50	10	BBGE	
O[B-](O)(O)c1ncccc1C(F)(F)F	238854457	NUQJCHYRDPYZIU-UHFFFAOYSA-N	207.924	-0.777	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccoc1	306785650	JSHJEJREKHOXOA-UHFFFAOYSA-N	204.207	-0.526	50	10	BBGE	
Nc1c(B(O)O)cc2ccsc2c1O	307575154	JGIVDQMMLZLJQG-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COCC(COC)OC(F)(F)C(=O)NN	308783758	WRAVTISIFPRIPD-UHFFFAOYSA-N	228.195	-0.753	50	10	BBGE	
Nc1nc(CCCl)nc(N2CCNCC2)n1	309206468	BEPDOALXHCUHRL-UHFFFAOYSA-N	242.714	-0.355	50	10	BBGE	
COCCOCOc1ccc(F)cc1B(O)O	310280699	KWBQNRBTTJBLJD-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@](C)(CO)C1	381327353	AJIDIKOHXIMRRD-ONGXEEELSA-N	229.324	-0.295	50	10	BBGE	
O=C/C(C(=O)O)=C1/C=CN[C@H](C(=O)O)C1	383983649	ZAFDJTOJJDHSHQ-XPPMVYLVSA-N	211.173	-0.473	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@@H](C)C(=O)NN	389202410	FBBRYNHKBPCCFH-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
COC(=O)Cc1cccc(B(O)O)c1CCC#N	396041214	NWFCSOFSWDAZDC-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
CC(C)(CCN1CCN2CC[C@H]1C2)C(=O)NN	396045118	VQJMMVKIXWCQJW-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
Nc1ccc(C(=O)O)c2cc(B(O)O)sc12	396240322	GVSVUZDJGAJROM-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1CCCC(=O)NN	399400000	GEODEPOWBDMFEF-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@@H]1CCCN(CCC(=O)NN)CC1	692060538	GXJVICXQPINPJZ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CNC(=O)[C@@H](C)N1CCC(O)(C#N)CC1	692119990	HIRILHWDHJPLHY-MRVPVSSYSA-N	211.265	-0.529	50	10	BBGE	
NNC(=O)CCCN1CC2CC1(CO)C2	694583977	XJRDEGIVXCKEKY-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@@]1(C)CO	694661390	LILFXFKJNOHKLN-MRTMQBJTSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@](C)(C(F)F)C1	698933654	WPFJWECLBOSMKI-HZGVNTEJSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](CCF)C1	700562131	VYNFXQCAMXLLNH-HTQZYQBOSA-N	219.260	-0.575	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)NCC1CC1	701062818	ZLABXEHNNLJWKK-UHFFFAOYSA-N	248.091	-0.424	50	10	BBGE	
CNNC(=O)[C@@H](CC(C)C)NC(N)=O	704667717	JSUITNWWMQSERI-ZCFIWIBFSA-N	202.258	-0.680	50	10	BBGE	
CCC[C@H]1CN(CC(=O)NN)CCO1	708947500	UTPBFPUAKBVBGT-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CC(C)(C)[S@@](C)(=O)=NC(=O)C(=O)NN	710098588	OCZOUXGTCDYEFA-CQSZACIVSA-N	221.282	-0.601	50	10	BBGE	
Cl[C@H]1COC[C@H]1NCCn1cnnn1	712537769	IWWBSISDNZBMGW-NKWVEPMBSA-N	217.660	-0.731	50	10	BBGE	
Cn1ccc2c(B(O)O)cccc2c1=O	716785068	XKFLUADTFGYNAG-UHFFFAOYSA-N	203.006	-0.782	50	10	BBGE	
CN1CCC([C@@H]2OCC[C@@H]2C(=O)NN)CC1	721313110	DOVHPGZEXHBIJK-UWVGGRQHSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)C1=NCC=N1	725595408	ZNJPVBDPMLSFEJ-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
C[C@H](Cl)CN[S@+]([O])(=O)c1c[nH]n[n+]1C	725702751	DRZCTWPUQGHEMY-UWORMDEDSA-O	239.708	-0.430	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1COCCO1	730592124	MQKNCHLSIRSVRB-CSMHCCOUSA-N	228.248	-0.795	50	10	BBGE	
CCNC(=O)N(C)NC(=O)COC1CC1	879365286	AGCWSXCMBQUQKX-UHFFFAOYSA-N	215.253	-0.142	50	10	BBGE	
Cc1cncnc1N1CC[C@@H](B(O)O)C1	900963823	AIXHGAAYYJUJLC-MRVPVSSYSA-N	207.042	-0.162	50	10	BBGE	
C[C@]1(NS(=O)(=O)CCl)CCNC1=O	907810432	DPPPXTIZIBHOCB-LURJTMIESA-N	226.685	-0.619	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	1141544918	HTDAZYKORBTCKJ-DTWKUNHWSA-N	241.291	-0.593	50	10	BBGE	
O=C(NNC(=O)c1cnco1)c1ccnnc1	1142447215	MBPQSBZQPXIDSV-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
O=C(NNC(=O)[C@@]1(F)CCOC1)[C@H]1CCCO1	1324359227	JCSOAWMNYXEINR-GMSGAONNSA-N	246.238	-0.559	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)C1CCNCC1	1330010634	XMLGRQBBYNMXIK-VXNVDRBHSA-N	240.307	-0.275	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCC(=O)O1)NC1CC1	1348525590	VLUKHBLVFSWFAW-ZCFIWIBFSA-N	227.220	-0.815	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)NC(C)C	1464572193	FRNZRQCHRHOVEP-QMMMGPOBSA-N	228.296	-0.181	50	10	BBGE	
COC(=O)C[C@H](N)C(=O)NC[C@@H](C)Cl	1865967683	FHEASKLROAVVBO-RITPCOANSA-N	222.672	-0.380	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H](N)CCC(=O)O	1866016829	FMBNMGAFFGLSAY-NTSWFWBYSA-N	222.672	-0.078	50	10	BBGE	
O=C(OCCl)N1CCC1(CO)CO	1883349403	KZYBPWVMUVYIOH-UHFFFAOYSA-N	209.629	-0.252	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1883801677	OMUIWIHTWOAAKD-ACZMJKKPSA-N	225.697	-0.175	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)CS	1888571196	DOUJZKVYYUTDOC-ZCFIWIBFSA-N	240.350	-0.135	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CS	1888571273	FSAHVIZZWHPGEZ-UHFFFAOYSA-N	226.323	-0.381	50	10	BBGE	
CN(NC(=O)n1ccnc1)S(C)(=O)=O	1888591839	BTNZEZQXLJJOLN-UHFFFAOYSA-N	218.238	-0.753	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1[C@H](C)C(=O)NN	1890503080	HGNQWGIQYJOXDG-PRJMDXOYSA-N	201.270	-0.790	50	10	BBGE	
CC[C@H](C)N(C)CC(=O)NNC(C)=O	1892436426	PGJJDVMYOPYIFT-ZETCQYMHSA-N	201.270	-0.116	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1Cl)[C@H]1CNC[C@@H]1O	1893453492	NIXVIXFFNKNEGN-YWIQKCBGSA-N	218.684	-0.595	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]2OCC(=O)N[C@@H]2C1	1896222691	YSNGTBBLWNAOCJ-YIZRAAEISA-N	243.694	-0.293	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(CCCC(=O)NN)C1	1896543244	NNRSOPJWPHSYGX-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
COCCN(C)CCC[C@H]1C[C@H]1C(=O)NN	1900505316	DZJLRTJSAXNXBI-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1Oc1ncncc1B(O)O	1901084328	OXOWSFPLPMJWJF-QMSLJYSESA-N	222.053	-0.420	50	10	BBGE	
CCCNC(=O)CN1CC[C@@](C)(B(O)O)C1	1902517854	MLMBDCCZVABBRR-SNVBAGLBSA-N	228.101	-0.549	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2CCN(C)[C@@H]2C1	1905722264	HCAASJUGQICBQX-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)[C@H](C)C1	1907072810	PWGRVYWWJXDCHK-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1907547597	PAJWFDRMHKVSPP-ZDCRXTMVSA-N	241.335	-0.032	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cscn1	1913626790	BWJQHFUMWGQHEK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1CC(OC)C1	1914814206	NCKWBBGUDKIONQ-HACHORDNSA-N	231.296	-0.900	50	10	BBGE	
N#CC1=CCN(C(=O)c2n[nH]c(=N)[nH]2)CC1	1917088234	UDAWIFMDXQFHSJ-UHFFFAOYSA-N	218.220	-0.487	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](F)[C@H](F)C1	1927918583	VCUIRXLJAOAMMY-FKSUSPILSA-N	219.235	-0.396	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC(C)(C)CC1	1929634283	VZIJGQXMRONOTR-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]1CO	1929740879	NHXKVSHOVMGYLQ-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)[C@H]1CO	1929742325	WRYOKWSSTANHIT-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CN(C(=O)CCCl)C1CS(=O)(=O)C1	1932007299	NDFWQHDKKKJDST-UHFFFAOYSA-N	225.697	-0.129	50	10	BBGE	
O=C(NNCCO)c1coc(C(F)(F)F)n1	1938765112	PCRXPSIEGZUBRE-UHFFFAOYSA-N	239.153	-0.080	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)CCl)C(=O)N(C)C	1939614672	VVOZDPSHECLMOK-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CC(C)[C@@]1(O)CCN(CCOCC(=O)NN)C1	1945548993	LAIUUSDSVDAIAL-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N)CC12CC2	1949381509	HTANMFIRLPSZRL-VIFPVBQESA-N	240.307	-0.891	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC2(CCO2)CC1	1950983480	CQMVYKXGGAJOOI-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
Cn1cc(B(O)O)c2ccccc2c1=O	1951332078	JLWHBOMHNDTGAW-UHFFFAOYSA-N	203.006	-0.782	50	10	BBGE	
C[C@@H](CN)SC[C@@H]1C[C@@H]1C(=O)NN	1954402569	OEIVPCKHTIBMAC-ACZMJKKPSA-N	203.311	-0.307	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1C[C@@H](O)C[C@@H]1O	1956248624	OXTXWMAQYCVURY-XUTVFYLZSA-N	221.684	-0.138	50	10	BBGE	
C[C@]1(C(N)=O)CCN(C[C@H](O)CCl)C1	1956260272	HXZXKJHPYQPYKW-APPZFPTMSA-N	220.700	-0.217	50	10	BBGE	
OB(O)c1csc(N2CC3CC2C3)n1	1956963445	CCFQOPFWFVKRDP-UHFFFAOYSA-N	210.067	-0.579	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]1CO	1975111758	WHQFZSJGXNGIAS-ZCFIWIBFSA-N	223.223	-0.932	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1980538557	VIMIHXCIZWRTHL-HZFNTPMKSA-N	227.264	-0.129	50	10	BBGE	
CCN(C)C[C@@H]1CCN(CCC(=O)NN)C1	1980791531	RSTMFVPCZYMOES-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CC(C)(CN1CC[C@H]2C[C@@]2(O)C1)C(=O)NN	1980975949	AVXMRSNKCJMSEM-GZMMTYOYSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2CF)c(F)c1	1986083671	AZCWVIYKSDWPHS-ZETCQYMHSA-N	228.007	-0.551	50	10	BBGE	
C=C(CN1CC2(CC(N(C)C)C2)C1)B(O)O	1992166935	AYOGHNCNOWMJPT-UHFFFAOYSA-N	224.113	-0.419	50	10	BBGE	
NC(=O)CC[C@H](N)C(=O)NCC1CC(Cl)C1	1994920051	USUBEUSEJOQYRT-RRQHEKLDSA-N	247.726	-0.287	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CN2CC[C@H]1C2	1996730430	BJEXAKLIFDSZME-XWLWVQCSSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](O)CN(CCCCC(=O)NN)C[C@H](C)O	1997349646	DLLXKGWPDRYAFT-UWVGGRQHSA-N	247.339	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)N2CCC2)c1	1998336979	BMZGAOHRDJZTAM-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@H]2CF)nc1	2004915656	BGUCPXPLNCGVHT-VIFPVBQESA-N	239.059	-0.515	50	10	BBGE	
COC[C@H](C)CN(C)c1ncccc1B(O)O	2004933929	BHSCIRAUVSMRQK-SECBINFHSA-N	238.096	-0.520	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)c1ncccc1B(O)O	2004935819	QKYDWKIKEQQCNV-RKDXNWHRSA-N	232.092	-0.146	50	10	BBGE	
Cc1cnc(N2CCO[C@H]3C[C@H]32)c(B(O)O)c1	2005016355	NYFVIAQQSALVOJ-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC(C3CC3)C2)n1	2005017117	ZXFOZVPDUVPQMY-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]2[C@@H](O)C[C@H]21	2008730684	NYUIFNPQHFNEBZ-AXFHLTTASA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1cncnc1)C[C@@H]1C[C@@H]1C(=O)NN	2009050587	PRMMLPASLQFULM-UWVGGRQHSA-N	235.291	-0.466	50	10	BBGE	
COC[C@@H]1CC[C@@H](Cn2ccc(B(O)O)n2)C1	2010882867	ZSFYUPGAUFGXPD-NXEZZACHSA-N	238.096	-0.374	50	10	BBGE	
C=C=CCCn1cnc2c(B(O)O)ncnc21	2010974927	NOWGDIBMTFTKMC-UHFFFAOYSA-N	230.036	-0.763	50	10	BBGE	
OB(O)c1cnccc1-n1ccnc1C(F)F	2013057878	ZDQNFFBTZPECHS-UHFFFAOYSA-N	238.990	-0.115	50	10	BBGE	
CC1(F)CC(C(=O)N[C@@H](CB(O)O)C(=O)O)C1	2013126494	BDHJIXXXBFMZHO-KJXBMWQCSA-N	247.031	-0.833	50	10	BBGE	
CN(CC12CCC(CC1)OC2)C(=O)C(=O)NN	2017670985	BBBNQGHSYXNONK-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2019178339	DIUXNGPWIKADLZ-QMSLJYSESA-N	247.245	-0.403	50	10	BBGE	
CCOCCNC(=O)N[C@@H]1CCC=C1B(O)O	2020061353	GJNQOGRZJWKPHY-SECBINFHSA-N	242.084	-0.577	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3OC)B(O)O	2021164779	MDUKCIKDIQFFAP-HHHUOAJASA-N	237.108	-0.090	50	10	BBGE	
COCCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2023854192	RMPWEEWQXADWEO-XYPYZODXSA-N	244.291	-0.421	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc(C2CC2)cc1=O	2028052295	PIBDQCBPRJVECH-RKDXNWHRSA-N	248.286	-0.253	50	10	BBGE	
NNC(=O)C1(Cn2cnc3c(c2=O)CCC3)CC1	2033707951	MKMDOLPKTJTRKA-UHFFFAOYSA-N	248.286	-0.498	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2CO[C@@H](C2)C1	2034884915	AWNVTVODWUIZKX-JQWIXIFHSA-N	247.103	-0.413	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ncc(B(O)O)cn3)C[C@H]12	2042944454	NMUBPTTZZGIXMB-HLEGCSNESA-N	247.063	-0.859	50	10	BBGE	
O=C(CC1COC1)NCc1cccc(B(O)O)c1	2056493498	JWBVICRZJGPGBU-UHFFFAOYSA-N	249.075	-0.981	50	10	BBGE	
O=Cc1c([N+](=O)[O-])ccc(B(O)O)c1F	2060054740	DSLXPHYIXMCSGS-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
COc1ccccc1CC(=O)NCC#CB(O)O	2077492289	LIFYNWAVHCEWKW-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]1C1CCC1	2079374246	IMGHTXXOILNLFV-QWRGUYRKSA-N	247.103	-0.036	50	10	BBGE	
CC1(C)[C@@H](O)CN1CC1(C(=O)NN)CCC1	2212267283	VFWNCOUHCSNDOL-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2212604040	LGVUSLYXOKSYQP-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
C[C@@H]1[C@H](Nc2ncc(B(O)O)cn2)C1(F)F	2212611229	XHYWJLBXUAHYAP-XINAWCOVSA-N	228.995	-0.778	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)[C@H]1C[C@@H](O)C1	2212784386	WUWQAOJQNOBNLL-OCAPTIKFSA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN(C1CC1)C1COC1	2215774281	DBFBARVOBVUEBS-KWQFWETISA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@@]3(O)C2)CCC1	2216495089	JZRKEDBJMPNGEY-BXKDBHETSA-N	239.319	-0.397	50	10	BBGE	
OB(O)c1ccc(=NCC[C@@H]2CCCO2)[nH]c1	2217176894	BPQMQMYLLIHHNK-JTQLQIEISA-N	236.080	-0.836	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H](C2)O3)cc1B(O)O	2217186464	KRFMGYJECCCYFQ-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
CCC[C@](C)(CO)Nc1ncc(B(O)O)cn1	2217199095	ANCBSQNFYAVCHB-SNVBAGLBSA-N	239.084	-0.881	50	10	BBGE	
CC[C@@](C)(CNc1ncc(B(O)O)cn1)OC	2217199612	NVAKDGQQLAVIQZ-JTQLQIEISA-N	239.084	-0.617	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CN1	2217201821	ZTKWQFMOHCHACF-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)[C@H]1CCNC1	2220063287	KTDPYMITKSAJGV-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
C#C[C@]1(Oc2cc(B(O)O)c(C)cn2)CCOC1	2223618755	SWAXUCSTJOMFJL-LBPRGKRZSA-N	247.059	-0.759	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2c1cc(B(O)O)ccn1	2223625236	DASLMYUFAPDCNQ-GARJFASQSA-N	248.091	-0.625	50	10	BBGE	
C[C@@H]1OC2(CNc3ncc(B(O)O)cn3)CC1C2	2223629561	VGRJROOJMKKOML-JYPKXMCJSA-N	249.079	-0.864	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2ccc(B(O)O)cn2)N1C	2223637436	FQQJDWJJGJCLMN-ONGXEEELSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3CCCCN[C@H]32)nc1	2223640686	YFYRGRFNFFSDDX-YUSALJHKSA-N	247.107	-0.686	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@@H]2C2CC2)nc1	2223645022	QYWLXHXCQUVRHH-ZYHUDNBSSA-N	247.107	-0.686	50	10	BBGE	
C[C@@H]1OC2(CNc3ccc(B(O)O)cn3)CC1C2	2223646534	MGRZYLMARGXCEJ-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
Cc1nn(C)c(C)c1Oc1ncccc1B(O)O	2223646586	MZRMIBQRFMJQNB-UHFFFAOYSA-N	247.063	-0.096	50	10	BBGE	
CCN1CC[C@H]1CNc1cc(B(O)O)c(C)cn1	2223653980	WTDXULIMUYTUGO-JTQLQIEISA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCCCN2)c1	2223670919	FKIOUOCMKQFHKM-LLVKDONJSA-N	249.123	-0.295	50	10	BBGE	
N[C@@H]1C[C@H](Nc2ncccc2B(O)O)C12CCC2	2223671860	QPXJAWNFFLMFDH-ZJUUUORDSA-N	247.107	-0.557	50	10	BBGE	
C=CCN(CC)C(=O)c1ccoc1B(O)O	2243349482	MDKQAOBQQRVZOE-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)c(B(O)O)s1	2243367088	NNSAQHNOJASJCF-ZETCQYMHSA-N	237.089	-0.512	50	10	BBGE	
C#CCONC(=O)c1sc(C)cc1B(O)O	2243382432	ODRXIVVQEBONJC-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243395832	CIOOKYDGKOMBKU-KZVJFYERSA-N	227.069	-0.610	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1csnn1	2243395860	CYYJOFVSSUHRKE-HCWXCVPCSA-N	241.081	-0.422	50	10	BBGE	
N[C@H](B(O)O)c1ccc(-n2cccn2)cc1	2243554613	PDBXSZKNCUSDGJ-JTQLQIEISA-N	217.037	-0.116	50	10	BBGE	
C=CCC(=O)NCc1cc(C)c(B(O)O)s1	2243666055	YHWKAUGDAGCZPD-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
C[C@H](Oc1ncc(B(O)O)cc1F)C(F)F	2244241249	IKDLMKDSLYMSEX-BYPYZUCNSA-N	234.970	-0.067	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H](C)[C@@H]1C	2247734045	QXWAWLHYHJVJOO-RQJHMYQMSA-N	237.064	-0.252	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21	2247744686	WQBDMGJURYELQC-FTLITQJKSA-N	243.018	-0.448	50	10	BBGE	
CN(C[C@@H](O)C1CCCC1)C(=O)C#CB(O)O	2247746712	CJXSNICUHRRBAC-SNVBAGLBSA-N	239.080	-0.989	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)c1cc(F)ccc1B(O)O	2247751933	FSPAYSORFMPBDR-BDAKNGLRSA-N	241.002	-0.654	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1occc1B(O)O	2247754027	CWOHBHKLBQUIII-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
C=C(F)CNC(=O)c1cccc(B(O)O)c1F	2247759809	XAZNUYHUJYNNAE-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC[C@H](C)F	2247761922	YGURTNTZIDXYPJ-ZETCQYMHSA-N	242.059	-0.724	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ncncc1B(O)O	2247771572	MNJSOBURRTXMGJ-ZETCQYMHSA-N	237.068	-0.925	50	10	BBGE	
CC[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CC1	2247783328	CVBJLNPTKCRJAK-QMMMGPOBSA-N	237.068	-0.992	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCOC1	2247797990	PFTVMWUZZVZMRG-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCCO[C@@H]1CC1(F)F)[C@H]1C[C@@H]1B(O)O	2247798576	VOSOWFMXDWPOBE-LYFYHCNISA-N	249.022	-0.610	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247800334	NVRSSFTWSOPRJY-KYXWUPHJSA-N	243.112	-0.237	50	10	BBGE	
CCCN(CCN(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2247800475	PLNKKDYYECMHIY-VHSXEESVSA-N	242.128	-0.351	50	10	BBGE	
O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H]1B(O)O	2247808396	UVJYQOAWKJUIKG-QNSHHTMESA-N	238.096	-0.798	50	10	BBGE	
O=C(NCC1=CCCC1)c1ccoc1B(O)O	2247866574	ONVMXNCISSYAPS-UHFFFAOYSA-N	235.048	-0.201	50	10	BBGE	
C[C@H](O)CN(C(=O)C1(B(O)O)CCC1)C1CC1	2247877908	KDWLYOLLIWPMHY-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H](C)N1	2247879786	VTWJCYIIXYQXCQ-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@H]1CO	2247893333	QBUCCNOHMVFMFR-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
COc1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)n1	2247898168	AWNYYDGXYGJQEO-RNFRBKRXSA-N	236.036	-0.108	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899463	NMERESSPOCMWTI-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N[C@@H]1C[C@H]1F	2247972615	RCVTUQNJAKQADW-VXNVDRBHSA-N	238.027	-0.402	50	10	BBGE	
C[C@H]1C[C@]1(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575817	CBFLFNLLUWHCEB-IMTBSYHQSA-N	241.052	-0.780	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)[C@H]1C[C@@H](C(=O)O)C1	2248590338	CJFQXZDFMMKSCF-FKSUSPILSA-N	241.052	-0.829	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C=CCCC2)n1	2249273130	APOONHYHSTUSNN-SECBINFHSA-N	234.064	-0.048	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC=C(F)C1	2249418689	XLFJVDQWUABEHM-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1coc(B(O)O)c1	2255443674	CKGHVXSBQXSUCJ-KTOWXAHTSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cn1	2255515620	AHHSBQBFKXDAGT-RKDXNWHRSA-N	246.075	-0.853	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1ccc(B(O)O)cn1	2255519641	ZYOIULUXYMEKSX-JTQLQIEISA-N	248.091	-0.154	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1cc(B(O)O)n[nH]1	2255551051	RWKXLULAOHRSMS-RDDDGLTNSA-N	249.079	-0.896	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1cncc(B(O)O)c1	2255679424	LKBKUSVWCCITDQ-LLVKDONJSA-N	248.091	-0.154	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H]2CC2(C)C)c1B(O)O	2255687642	KMPMAJGQPFDYDK-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC[C@H]2C[C@@H]21	2255735508	VKUWSDVVVMQQIG-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
C#CCCN(CC)C(=O)c1cc(C)c(B(O)O)o1	2255784909	IGZBXNJDCOFSDB-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
C=C[C@@H]1CCCCN1C(=O)c1c[nH]nc1B(O)O	2255793156	SVVRRSIDYJXYAO-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
C#CCCN(C)C(=O)Nc1cccc(B(O)O)c1	2255912046	VRMVWSVWUJQMST-UHFFFAOYSA-N	246.075	-0.147	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)ccc1O	2256017088	PBOQNTGSESFEMB-SECBINFHSA-N	247.059	-0.786	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC2CC1C2	2256018227	LQVUAULJKNWXIQ-UHFFFAOYSA-N	247.059	-0.694	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)CCC#N	2257487938	SINLDKPWMFJJMN-UHFFFAOYSA-N	247.063	-0.945	50	10	BBGE	
C[C@@]1(CO)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165832	AMNPOVOACBMKOK-HOSYDEDBSA-N	241.335	-0.293	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1CO)[C@@H]1C[C@@H]1B(O)O	2298376712	KNONLKBGVBFAKH-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
CCCn1ncnc1CN1CC[C@@H](B(O)O)C1	2303098534	FPZXCRDPNNVHFU-SECBINFHSA-N	238.100	-0.263	50	10	BBGE	
Cc1cccc(NC(=O)N2CCC2)c1B(O)O	2307515372	ULTJSXLYFFMTPY-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
CCOCCN(C)c1ccc(B(O)O)cc1C#N	2317165287	JBYHTSIUTBLFNQ-UHFFFAOYSA-N	248.091	-0.289	50	10	BBGE	
NNC(=O)C(=O)NCCc1cccc(F)c1	36779914	MADPDHORJHJIFI-UHFFFAOYSA-N	225.223	-0.526	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CCOCC1	36906113	JRIVUSXMFICWMF-UHFFFAOYSA-N	249.698	-0.617	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)CC1	58847154	ZQRHRNSGBKLDRJ-VIFPVBQESA-N	214.313	-0.750	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC(N)CC1	82470850	QJSSJCIXBQHSTR-QMMMGPOBSA-N	214.313	-0.432	50	10	BBGE	
C=CCOCCn1cc(C(=O)NN)nn1	84689148	URZBWMBAHOJXNN-UHFFFAOYSA-N	211.225	-0.916	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)c1ccccc1	127099380	VOFHCQHYBHSSAE-MRVPVSSYSA-N	221.260	-0.104	50	10	BBGE	
CN(C)CCN1CCN(C[C@@H](O)CCl)CC1	163180160	KGOLWWHVNZDQQZ-NSHDSACASA-N	249.786	-0.235	50	10	BBGE	
OB(O)c1cncc(OCC[C@H]2CCCO2)c1	203495465	QGDSNRVEGHDQON-SNVBAGLBSA-N	237.064	-0.291	50	10	BBGE	
C/C(C(=O)O)=C(\C)C(=O)NC(=O)NN(C)C	215236705	XLKFDKKLWQBXNW-WAYWQWQTSA-N	229.236	-0.290	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247641	BYUCRZPWYMGFJN-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cnc(C)c1C	232421024	XKTAEHCJUNZTNS-QMMMGPOBSA-N	212.253	-0.323	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cncn1C	234567453	IXDBXZMNMUGTAP-ZCFIWIBFSA-N	245.666	-0.070	50	10	BBGE	
CCOC(=O)c1c(F)cncc1B(O)O	238300915	YBDBTSBVJHQDKZ-UHFFFAOYSA-N	212.973	-0.923	50	10	BBGE	
Nc1cc(B(O)O)c2scc(N)c2c1	307221098	XRFWQFBTRFUJPP-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1C	380730995	VCKGOAQJLFZAAT-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
Cn1cncc1CN1CC(=O)OC(=O)C1	388501222	HSDSARHETXPWRH-UHFFFAOYSA-N	209.205	-0.695	50	10	BBGE	
CC(=O)NNC(=O)CSCCCC(=O)O	393757672	IINBVJBBVQGKQZ-UHFFFAOYSA-N	234.277	-0.248	50	10	BBGE	
NNc1ccc(C(F)(F)F)c(B(O)O)c1	396041449	PCOOAVVEGHRWSH-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
OCc1c(B(O)O)cc2ccsc2c1O	396347311	RZPHYIXDGPCPPR-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1c(O)cc2ccsc2c1B(O)O	396390628	YCUZOVRIGRSWKZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)c(F)c1	405131468	GJMMVHSBWUSVBL-UHFFFAOYSA-N	212.973	-0.316	50	10	BBGE	
NS(=O)(=O)N1CCO[C@H](Cl)CC1	616666871	ZLEKJQVTYYCLFD-YFKPBYRVSA-N	214.674	-0.523	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)Cc1ccccc1B(O)O	688223548	PRILOWLWSAATKV-ZWNOBZJWSA-N	249.119	-0.167	50	10	BBGE	
CCCN(CCC(=O)NN)CC(C)(C)O	689929223	HQWVJYGTZPZYGK-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cn(C)nn1	690442474	USCMYVYTLOOXIC-UHFFFAOYSA-N	226.284	-0.983	50	10	BBGE	
C[C@@H](CN(C)C(C)(C)CCO)C(=O)NN	691095845	VCHYUUMOJFPXPO-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)CC(C)(C)O	691117927	SNGRSTBBTMORGD-UHFFFAOYSA-N	245.323	-0.363	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](OC)CC1	692058505	ARMLLOYMHXHECX-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(N2CCC2)CC1	700434401	AWCFGXJPIOQKHJ-LLVKDONJSA-N	240.351	-0.075	50	10	BBGE	
CC(C)OC(C)(C)C(=O)NCB(O)O	702017365	MIEGZABOFJRRIH-UHFFFAOYSA-N	203.047	-0.682	50	10	BBGE	
O=C1CC[C@@H](NC(=O)OCCl)C(=O)N1	703057863	DJSNLRNBQFHNOZ-SCSAIBSYSA-N	220.612	-0.286	50	10	BBGE	
CN(N)C(=O)c1cnc2sccn2c1=O	704681362	JIVJMPOQEVZQIH-UHFFFAOYSA-N	224.245	-0.298	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCN(C)C1	705216444	KAJODJLUGCMMDG-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CC(=O)NNC(=O)C1=C=C(Cl)N=C(Cl)N1	725448372	COOXIILGXYSPBD-UHFFFAOYSA-N	249.057	-0.085	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CC1	770710203	HAWLEUGEZXEOFQ-SVRRBLITSA-N	227.264	-0.096	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1	902551352	DKDKMQMUTYDLQE-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cccn(C)c1=O	910165767	MXLUFTBKGUCGHD-QMMMGPOBSA-N	239.275	-0.657	50	10	BBGE	
NNC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1	1088725373	ATMZXQMUOFOCJF-UHFFFAOYSA-N	229.152	-0.995	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1	1155405777	YLUOMONWFOXBQN-VXNVDRBHSA-N	245.242	-0.184	50	10	BBGE	
Cc1nnc(CCC(=O)NN(C)[C@@H](C)CO)o1	1299923941	XPLNHXGEKLVPRK-ZETCQYMHSA-N	242.279	-0.346	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)CCO)[C@@H]1C	1326446998	RWGWJFQPYKMCLJ-RQJHMYQMSA-N	200.238	-0.104	50	10	BBGE	
Cn1c(C=NNC(=O)CCO)cnc1Cl	1349824839	SYMIWCDVKDJIPU-UHFFFAOYSA-N	230.655	-0.094	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)c1ccnnc1	1469120769	TUQLEURXNIGOGY-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
O=C(C[C@@H]1CC(=O)N1)NNc1cccnn1	1597260640	SOPOJTXNSGHKSO-LURJTMIESA-N	221.220	-0.802	50	10	BBGE	
O=C(CBr)N1CC[C@@H](O)[C@H](O)C1	1881085074	YJLZSYQKNCCHKX-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@H](N)C1CS(=O)(=O)C1	1883675274	MSNNHAUGIAXATF-INEUFUBQSA-N	225.697	-0.445	50	10	BBGE	
C=C(Cl)COc1ccncc1B(O)O	1885152984	IKYRKSWZRAKZFZ-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
CC(C)(F)C1CN(C(=O)C(=O)NN)C1	1885195776	LTWAJWLCDGVVQC-UHFFFAOYSA-N	203.217	-0.817	50	10	BBGE	
NNC(=O)CCN1CCC(F)(F)C1=O	1885833637	LVWPUZJNUCYFET-UHFFFAOYSA-N	207.180	-0.766	50	10	BBGE	
CCC[S@@](=O)N[C@H]1CCC=C1B(O)O	1892925401	UXULBORLXVAAKO-RMLUDKJBSA-N	217.099	-0.250	50	10	BBGE	
O=C(O)C1(CO)CN(C[C@@H]2C[C@H]2Cl)C1	1893117342	AAIBEXQZHZNIKI-NKWVEPMBSA-N	219.668	-0.007	50	10	BBGE	
NC1CN(CC(=O)NC[C@H]2C[C@@H]2Cl)C1	1893126781	CUOIZZBYPPGGQN-SVRRBLITSA-N	217.700	-0.627	50	10	BBGE	
CN(C)C(=O)CNC(=O)C=CC(=O)Cl	1893410000	DLIJZOJXZRWYEB-UHFFFAOYSA-N	218.640	-0.488	50	10	BBGE	
COCC1(O)CN(C(=O)[C@H]2C[C@@H]2Cl)C1	1893447042	UUBJNXIOQYGLAN-BQBZGAKWSA-N	219.668	-0.167	50	10	BBGE	
O=C(O)[C@H](CCO)NC(=O)[C@H]1C[C@H]1Cl	1893475063	PKLMFHJMGVZVPH-JKUQZMGJSA-N	221.640	-0.435	50	10	BBGE	
CC[C@@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1893497276	FAQSHDGHCRDAHG-QLSVQJPWSA-N	218.640	-0.312	50	10	BBGE	
OC[C@@H]1CO[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]21	1894033139	LWJUGJKEWTVMQW-UTINFBMNSA-N	235.711	-0.475	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1895511386	ZPVHLIFLOWZMER-DJLDLDEBSA-N	233.287	-0.593	50	10	BBGE	
Cn1nnnc1CN[C@@H]1CCOC[C@@H]1CCl	1896884800	LNSMOJMKRGOLKS-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
CO[C@@H]1[C@H](NC(=O)NN)COC1(C)C	1897074056	ZIPKJKXFMMLNFY-PHDIDXHHSA-N	203.242	-0.648	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C[C@@H](O)CCl)C[C@H]21	1900558580	NAJWXYNNSCNMCB-RULNZFCNSA-N	218.684	-0.751	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1[C@@](C)(O)C2)C(=O)NN	1901323474	KQOZENVVBMYXHL-KBIXCLLPSA-N	227.308	-0.542	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)[C@H](O)[C@@H]1CF	1905009472	NMRFIPIWKXYTCF-HCWXCVPCSA-N	227.619	-0.305	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N(c2ncncc2B(O)O)C1	1907072840	QFAYRAHZKOKGDC-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@@H]2CC[C@@H]21)C(=O)NN	1909251741	LVHRLSJMQNREQZ-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1ncncc1B(O)O	1909556314	PTXPVIOMYDLWTF-YUMQZZPRSA-N	239.059	-0.802	50	10	BBGE	
C[C@@H](Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NN	1912214060	DHLLUAXENXSUMM-LURJTMIESA-N	240.219	-0.618	50	10	BBGE	
CC1(C)C[C@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1923163611	JDSGDSQYPPYJCO-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)C(F)(F)F	1923407717	DLKCNWRDRLVHNL-UHFFFAOYSA-N	236.153	-0.338	50	10	BBGE	
CO[C@H](C)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927913101	FNGHTHCCAMMSBC-VGMNWLOBSA-N	215.297	-0.421	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	1928367996	OMBOECWFXHWTTK-HLTSFMKQSA-N	215.297	-0.687	50	10	BBGE	
Cc1ncoc1CN1CC(=O)OC(=O)C1	1928779785	CMSXSRJWGFPIPP-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
O=C1C[C@H](n2cnnc2CCl)C(=O)N1	1932174160	NYLCMWQFMQZFCG-BYPYZUCNSA-N	214.612	-0.396	50	10	BBGE	
NNC(=O)CN1CC(COC(F)(F)F)C1	1934848676	UKWFXJOHAADUAD-UHFFFAOYSA-N	227.186	-0.556	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)[C@H](C)C(=O)NN	1935545992	HJYIFNRWYQOPOO-VGMNWLOBSA-N	231.296	-0.900	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2NC[C@@H]3C[C@H]23)CC1	1947653475	XORPOVHILPIKSS-GUBZILKMSA-N	235.287	-0.529	50	10	BBGE	
CCC[C@H](Oc1cccn(C)c1=O)C(=O)NN	1950722558	PYBNKHJZEGYARA-QMMMGPOBSA-N	239.275	-0.077	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1c(O)cc(O)cc1O	1952837193	UOEIUVMMBCNUPZ-CBAPKCEASA-N	210.189	-0.312	50	10	BBGE	
O=C(CBr)[C@@H]1[C@H]2NCCO[C@@H]21	1953233487	UIQYTKUBDGHEPQ-FSDSQADBSA-N	220.066	-0.063	50	10	BBGE	
OC1CN([C@H]2CCN(C[C@H](O)CCl)C2)C1	1958217289	IKCSKOAMEPMVKX-DTWKUNHWSA-N	234.727	-0.663	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC([S@](C)=O)C1	1961563020	GLZJEHZXGHWUFT-AKRFPOAQSA-N	233.337	-0.936	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1962096325	AABZGOITTGLPLA-CWKFCGSDSA-N	209.249	-0.767	50	10	BBGE	
OC[C@@H](O)CN1CCN(CCCCl)CC1	1975010569	UZNJICASGBOWFU-JTQLQIEISA-N	236.743	-0.414	50	10	BBGE	
CCOCC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	1979178895	DIVRRUOTEHMRJU-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H]1C[C@@H]2O	1981216602	KZOGMGYBXLAKMB-UTLUCORTSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H]1CCCN1c1ncc(B(O)O)cn1	1981410034	VADSIXFIMPYBKA-VIFPVBQESA-N	221.069	-0.465	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1981563288	VRMYTJJVDSUOKN-QKCLAQEOSA-N	223.276	-0.521	50	10	BBGE	
COC[C@@H](CF)N=c1[nH]c(CCl)nc(=N)[nH]1	1981691474	YLIWMNYRWLXOTN-RXMQYKEDSA-N	249.677	-0.159	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1C[C@@H](C)C(=O)NN	1985717358	YPYWUXZCTAPBKD-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOC(C)C	1990774511	KBKGGJUJEXJVGT-UHFFFAOYSA-N	231.296	-0.490	50	10	BBGE	
C[C@H](N)[C@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991647530	FLUUTZFQKPOCKB-JGVFFNPUSA-N	246.694	-0.117	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1991652569	OQDDJLDCQPBEFR-HAYUDISJSA-N	245.662	-0.740	50	10	BBGE	
C=C(CN(C)[C@@H](C)c1cn(C)cn1)B(O)O	1992152183	AVZPLZRWRBHDOV-VIFPVBQESA-N	223.085	-0.019	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1[C@H]2CC[C@H]21	1997532463	GYHFEJDUUFRNJT-MBTKJCJQSA-N	232.048	-0.644	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CC[C@H](O)CC1	1997607464	CEEOZHHFDYYUJG-MGCOHNPYSA-N	243.307	-0.611	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H](CF)C1	2004938464	DKCQJRZIBBUPGC-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
CCC1(F)CN(c2ncnc(C)c2B(O)O)C1	2004972833	LQCZRRIUNGRSDO-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)C(=O)NN)C[C@@H](C)O1	2010673530	FQSVMAQWOXEOIV-AYMMMOKOSA-N	243.307	-0.362	50	10	BBGE	
NNC(=O)CCCCN1CC[C@]12C[C@@H](CO)C2	2011131707	GBCPOLLSDUCCQV-UMSPYCQHSA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@]2(CC[C@@H]2O)C1	2013328934	MUAURGHQGRFBPW-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
O=C(NCC=CB(O)O)c1ncoc1C(F)F	2020057950	DTIDVJMKOAFLGE-UHFFFAOYSA-N	245.978	-0.090	50	10	BBGE	
Cc1nc(C(=O)Nc2ccccc2B(O)O)co1	2031815351	SLNJUOGWOLSYRB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCN1CCN(c2nccc(C)c2B(O)O)CC1	2052472144	JTUSSKMFAZORMR-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
N#Cc1c(F)cc(B(O)O)cc1[N+](=O)[O-]	2060185717	WQXKRSWDYNKZDO-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC[C@H]3C[C@H]32)n1	2071009966	IHROKLZUUVRJQV-LPEHRKFASA-N	248.091	-0.110	50	10	BBGE	
O=C(CN1C[C@@H]2COC[C@H]21)NNc1ccccn1	2075111273	VXVCEFIADMAABS-NXEZZACHSA-N	248.286	-0.145	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2(CC2)CO1	2079011329	CGRWKMYKJZCABL-UHFFFAOYSA-N	247.059	-0.466	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	2079515007	LKVFQYRHWQFPSA-RKDXNWHRSA-N	248.091	-0.008	50	10	BBGE	
OB(O)c1ccc(Cn2ccnc2)s1	2209686680	SKSGJEYSVGGPAD-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H](CO)CC1CC1	2210715988	BHCNEKLKNCOCSS-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
CCN1CC[C@H](OCC(F)(F)C(=O)NN)C1	2212259993	GELHWXWZKXZABJ-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
OB(O)c1cccnc1NCC1(O)CCC1	2212602460	DXQVTKNCIBWKRV-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@@H](C)N)cc1B(O)O	2212606225	QMUYGBVBESTWQM-HTQZYQBOSA-N	224.069	-0.816	50	10	BBGE	
CCN([C@H]1CCC[C@H]1O)[C@H](COC)C(=O)NN	2212901797	VESMNYFKHGPNME-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
C[C@]1(N)CCN(Cc2cccc(B(O)O)c2)C1	2214600969	WWHKUBNVASCQPN-LBPRGKRZSA-N	234.108	-0.711	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2217183171	JAUSIVUELAHDPJ-OEYYVHFRSA-N	231.064	-0.777	50	10	BBGE	
CC(C)(CCCN)Oc1ncc(B(O)O)cn1	2217195139	GBXDRLDTRCYFDX-UHFFFAOYSA-N	239.084	-0.947	50	10	BBGE	
N[C@@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2217198027	VFDUHKIVCONNBB-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
C[C@H]1C[C@H](CNc2ncccc2B(O)O)CN1	2217200819	MFPSFUAHRMIRLQ-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1Cc1cccc(B(O)O)c1	2220064636	XGWBNGPIHSHNNY-ZYHUDNBSSA-N	249.119	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2221562377	PYVGVPQPAWVSNK-JHMKVRFYSA-N	249.314	-0.131	50	10	BBGE	
CCSC[C@@H](C)NC(=O)C#CB(O)O	2241476777	ZIBKPEZPXYFXCV-SSDOTTSWSA-N	215.083	-0.740	50	10	BBGE	
NC(=O)c1scc(B(O)O)c1Cl	2241480505	LPXCLWCCJLUTEB-UHFFFAOYSA-N	205.431	-0.820	50	10	BBGE	
C#CCN(OC)C(=O)NC(=O)CCl	2241779854	BPTMRHUYNSKLNP-UHFFFAOYSA-N	204.613	-0.042	50	10	BBGE	
NCCSc1cc(B(O)O)c(Cl)cn1	2242391365	CSVQYZOYPGPXMD-UHFFFAOYSA-N	232.501	-0.534	50	10	BBGE	
CCN(C(=O)c1ncsc1B(O)O)C1CC1	2243359021	NKVDWBRREPPUSQ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
Cc1cc(=NC(=O)C#CB(O)O)cc(C)[nH]1	2243361601	DLFIRCSIKJXQLG-UHFFFAOYSA-N	218.021	-0.926	50	10	BBGE	
CN(Cc1cnsn1)C(=O)[C@H]1C[C@H]1B(O)O	2243383495	YWXWYAMLGZTRHA-NKWVEPMBSA-N	241.081	-0.641	50	10	BBGE	
C#Cc1cccc(NC(=O)C#CB(O)O)c1	2243398625	FULGXCUYSCQRRW-UHFFFAOYSA-N	213.001	-0.378	50	10	BBGE	
O=C(NCCCCF)c1cc(B(O)O)c[nH]1	2243400996	KTWUWINJSLLGQU-UHFFFAOYSA-N	228.032	-0.826	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CC[C@@H](C1)S2	2243401520	SJWJNSISVOKDJA-BDAKNGLRSA-N	239.105	-0.502	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243403772	CIOOKYDGKOMBKU-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
CN1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243403872	FEDOZSVZGNSGTG-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)oc2C)C1	2243408028	FSHFYQKIDLADPX-UHFFFAOYSA-N	221.021	-0.720	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)C1(B(O)O)CC1	2243411314	RHTLWUKYIXUHMP-SECBINFHSA-N	229.085	-0.339	50	10	BBGE	
C[C@H](O)C1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243426278	GEVDYBYXUDEWEL-FXQIFTODSA-N	227.069	-0.731	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243753678	YHMGGMXMLOOUIN-NTSWFWBYSA-N	229.041	-0.781	50	10	BBGE	
COC1(C(=O)NCCC#CB(O)O)CCC1	2244549292	AWDRXNSFGQVLOL-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc([N+](=O)[O-])cc1	2247742369	NUVZSGADZGIYLA-UHFFFAOYSA-N	233.976	-0.451	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@H]12)C1(B(O)O)CC1	2247753774	CLBJEUAUBFMEPD-DTWKUNHWSA-N	238.096	-0.654	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C[C@@H]1N	2247755169	HKLJBCGQKNENFR-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C	2247760071	BEBZAIVJEMADQW-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2247760511	JGTGARVINSXYHG-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cncc(B(O)O)c1	2247772674	YKUBCSSLCLSJFX-JTQLQIEISA-N	232.048	-0.790	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247787996	XRXUAOMYCIYKMF-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247791446	NBHVMRKYFVRLFB-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247796988	FHZRNSVBCCPSLF-ZOZBQHSOSA-N	240.112	-0.791	50	10	BBGE	
CC1CC(CO)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247800533	PXYOUEHALBQZNK-GWMJWBFUSA-N	241.096	-0.626	50	10	BBGE	
O=C(NCCCCCCO)[C@H]1C[C@H](B(O)O)C1	2247806037	CTLHNXLWHWLVSR-MGCOHNPYSA-N	243.112	-0.092	50	10	BBGE	
NC[C@H]1C[C@@](F)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247807978	SLZWLXQYQPOBPT-BDNRQGISSA-N	244.075	-0.958	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(N)=O	2247809675	QLPLVRFKWMFZIS-BWZBUEFSSA-N	242.084	-0.990	50	10	BBGE	
CC(C)[C@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2247850215	LKUUQIJYSFJHIQ-VHSXEESVSA-N	239.080	-0.678	50	10	BBGE	
O=C(N1[C@H]2CCC[C@@H]1CNC2)C1(B(O)O)CC1	2247873652	LHLRPQHVMCLKHW-DTORHVGOSA-N	238.096	-0.654	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2247874095	JAYYNCURMCZPSG-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247875418	YDHGMPRTASRCPW-BDAKNGLRSA-N	238.096	-0.844	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CC2)cn1	2247877416	AMWGUFCEPLMHEQ-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247879524	UDHYGEZJXURCGY-BDAKNGLRSA-N	240.112	-0.230	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879703	VBQBKEOKJXNMTF-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(C(=O)C3(B(O)O)CC3)C[C@@H]21	2247879870	YNFBCSRWISLXBI-BRPSZJMVSA-N	238.096	-0.988	50	10	BBGE	
C#CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247886527	CINFNHBNXOSJHH-UTLUCORTSA-N	237.064	-0.900	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@H]21	2247887970	UIUBRULMSYXPKZ-LRPJSKTQSA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H](CCO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2247897552	USVOQZURSMQLEO-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247897574	UYOFAGLATLOSGR-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
O=C(O)CCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2248573195	AOKSDPPPVWBWNG-JGVFFNPUSA-N	241.052	-0.685	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1C[C@H]2C[C@H]2C1	2249343261	NTCLFEVBVMKJHQ-DTORHVGOSA-N	238.096	-0.003	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1cc(B(O)O)co1	2249419136	CTFCSFFVNRLQIQ-XPUUQOCRSA-N	241.027	-0.468	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2249423136	HWRFHKWTDTZZOT-SSDOTTSWSA-N	237.064	-0.170	50	10	BBGE	
C=CC1CN(C(=O)c2cc(C)c(B(O)O)o2)C1	2251662468	RDGYHWZZPUIOGD-UHFFFAOYSA-N	235.048	-0.474	50	10	BBGE	
C[C@]12CO[C@](COc3cc(B(O)O)ccn3)(C1)C2	2254932602	HVJZRHMHOXNEFJ-TXEJJXNPSA-N	249.075	-0.291	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1ncccc1B(O)O	2255519646	ZZOHJVBIZQJCHX-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N(C)C1CC1	2255566800	SWAHZJLWVLURPV-UHFFFAOYSA-N	249.075	-0.391	50	10	BBGE	
Cn1cc(C(=O)Nc2ccccc2)c(B(O)O)n1	2255592440	JNUXRIFDRAHLOL-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1cc(NC(=O)c2ccncc2B(O)O)on1	2255728879	NBAGCQSIAWAKFK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)cn1CCC	2255733576	NIWWXXQUFNIHKG-UHFFFAOYSA-N	248.091	-0.669	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C[C@@H]1C[C@H]1C(=O)NN	2298004440	GAWFNHVCGMKDLJ-FOKACVKASA-N	239.319	-0.542	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CC[C@@H]2C[C@H]12	2298225652	MPGSANLWTUCTHI-MIMYLULJSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1CNC(C)(C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371885	YSLJRKSVCDOSFO-DJLDLDEBSA-N	240.112	-0.552	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2298374594	BYYUEDISVXQRSU-ABCHNEDTSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)CC(=O)O	2298462875	GMQYQKSBMSZVES-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
C=C(CN1C[C@H]2OCC[C@]2(COC)C1)B(O)O	2299763767	LZOFDBGIGKYJBX-GHMZBOCLSA-N	241.096	-0.708	50	10	BBGE	
OB(O)c1csc(N2Cc3cccnc3C2)n1	2300126433	XIJIZOURDLULDB-UHFFFAOYSA-N	247.088	-0.262	50	10	BBGE	
CO[C@@H](C)COc1ccc(C=O)c(B(O)O)c1	2301420858	MOFIKROSQDTSHU-QMMMGPOBSA-N	238.048	-0.407	50	10	BBGE	
CCN(CCC#N)c1cc(B(O)O)c(F)cn1	2303846982	ARVIPTRYACNIBW-UHFFFAOYSA-N	237.043	-0.360	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)ccc1B(O)O	2309543692	ALJJNCKUCGXUPF-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H](CO)C1CC1	2317163582	QVLTXBQNOBQURJ-GFCCVEGCSA-N	246.075	-0.579	50	10	BBGE	
Cc1nc(OC[C@@H]2[C@H]3COC[C@H]32)ccc1B(O)O	2318951591	JPVUJPLLOJEKMB-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
C#CC1CCN(c2cc(B(O)O)c(F)cn2)CC1	2320793761	YVVLPHGSCDJCEA-UHFFFAOYSA-N	248.066	-0.250	50	10	BBGE	
C=CC12CC(CCN1c1ncc(B(O)O)cn1)C2	2326730234	HKMQNIMNLPKTAZ-UHFFFAOYSA-N	245.091	-0.299	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1nccn1C	82469278	BPTOSJIXOMXLAK-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
Cc1c(C(=O)NNC(N)=S)cnn1C	83590869	JTAGLFMAPFGHQJ-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
NC(=S)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	83591012	BDHCCQOVUFCNSK-UHFFFAOYSA-N	229.221	-0.599	50	10	BBGE	
CNC(=O)c1ccn([C@@H](C)[C@@H](C)C(=O)NN)n1	93072489	DXKFSJUEECESKC-RQJHMYQMSA-N	239.279	-0.570	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC=CCC1)c1c[nH]nn1	104645150	BPJFZUZOEWQKRZ-ZETCQYMHSA-N	235.247	-0.078	50	10	BBGE	
CCS(=O)(=O)N1CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	163213067	HWZJZEFTZBZFQE-NKWVEPMBSA-N	247.272	-0.642	50	10	BBGE	
COCC(=O)NCCNC(=O)CCCCl	169919282	BEPUDBAYMVMCNC-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
NC(=O)CC1(NC(=O)OCCCl)COC1	170277096	XJGAYWHRSMQZJL-UHFFFAOYSA-N	236.655	-0.404	50	10	BBGE	
C[C@H](CN1CCC[C@@H](N(C)C)C1)C(=O)NN	227703881	IVXHGCNDDBAPRD-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CO[C@H]1CN(S(=O)(=O)CCl)C[C@@H]1OC	234885104	NYSJUMJIOVXNFU-BQBZGAKWSA-N	243.712	-0.142	50	10	BBGE	
OB(O)c1cnc(O)cc1Br	238635285	YOHICEBYKOVEEL-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)C(=O)NN)[C@H]1C	251649755	NJEPKPGGAUCTHY-RNJXMRFFSA-N	213.281	-0.083	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300238237	LUPKNHBUZROUKR-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
CN1CCO[C@H](CN[C@H]2COC[C@@H]2Cl)C1	306414490	OIZKOBZIDJROTL-UTLUCORTSA-N	234.727	-0.087	50	10	BBGE	
CCOC[C@H](O)CNS(=O)(=O)CCCl	308634247	AKCNTFKYWUEOAT-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C=CCCCNNC(=O)[C@@H]1COCCN1	309627092	JGMIECGFYLIXTQ-VIFPVBQESA-N	213.281	-0.438	50	10	BBGE	
COCCSCCOCCC(=O)NN	378769457	WIYMGOJQHIDVOO-UHFFFAOYSA-N	222.310	-0.237	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@]1(C)CN	380820853	MDMCQSZFXCSVHU-KKZNHRDASA-N	228.340	-0.328	50	10	BBGE	
COC1(C)CN([C@H](C)CCC(=O)NN)C1	382604670	QXUXWPJIMAXDOO-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384795141	RROLTOSPUGFMBN-QCLAVDOMSA-N	226.324	-0.753	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H](N)C2)n1	386968492	LGSVQRLSRWRMML-SSDOTTSWSA-N	239.279	-0.799	50	10	BBGE	
CC(=O)NNS(=O)(=O)N(C)C(C)C	393714693	KKUHOUVHAGKJLG-UHFFFAOYSA-N	209.271	-0.788	50	10	BBGE	
N#Cc1cc2c(B(O)O)ccc(CO)c2s1	396229744	WSWVYCOPHPFQHU-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cccc2c(B(O)O)c(O)sc12	396372902	KGOBSXWHACQQPT-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
Cc1cc(NCC(=O)NN)ccc1-n1cnnn1	586320996	PTRLYQOQOCHRGB-UHFFFAOYSA-N	247.262	-0.627	50	10	BBGE	
C[C@]1(C(F)F)CN(C(=O)NN)CCO1	606279066	GSFNRAISFNZARD-SSDOTTSWSA-N	209.196	-0.074	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)[C@@H]1C	685957204	VBKXOKZFMCVYMA-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)CCC(=O)NN	688148434	FENIFRYIHAWBPJ-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1CC[C@@H]2COC[C@H]2C1)C(=O)NN	690723922	QCNOOCQEIJUDLJ-OPRDCNLKSA-N	227.308	-0.419	50	10	BBGE	
Cc1cccnc1Cn1cc(B(O)O)cn1	694530372	DTCBGLUXHPPOPS-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
COCC1(O)CN([C@@H](CC(C)C)C(=O)NN)C1	695079321	FNRZHOBHELBVMG-VIFPVBQESA-N	245.323	-0.916	50	10	BBGE	
CN1CCN(Cc2nnn(C)n2)[C@H](CCl)C1	699464949	VBQCMTSXVUKHTE-MRVPVSSYSA-N	244.730	-0.435	50	10	BBGE	
O=C(NCB(O)O)NCc1ccccc1	701940104	RWYXWPCXVMWUEM-UHFFFAOYSA-N	208.026	-0.502	50	10	BBGE	
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC	704666961	DSHOULATAOOLGZ-WDSKDSINSA-N	202.258	-0.680	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1[C@H](C)C(=O)NN	706103933	WAFGUAJYSMNBCQ-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2CSC[C@H]2C1	711524023	DCWRAFORFYNAHL-PRJMDXOYSA-N	215.322	-0.340	50	10	BBGE	
CN(C)C[C@@H](CO)NS(=O)(=O)CCCl	716672209	SWRGVWADEXMUCI-ZETCQYMHSA-N	244.744	-0.933	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC[C@H]1CO1	718543633	OWJXJHBUQYRSCO-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
C[C@H](O)C1CN(Cc2ccc(C(=O)NN)o2)C1	719806629	JACMSDOYBZLGLE-ZETCQYMHSA-N	239.275	-0.304	50	10	BBGE	
O=C(CCl)N1C[C@H]2CS(=O)(=O)C[C@H]2C1	725701846	QJMYLUYOXUWNBV-KNVOCYPGSA-N	237.708	-0.272	50	10	BBGE	
CNC(=O)NN=Cc1cnn2cccnc12	755663671	CXGCFINCGYWCSI-UHFFFAOYSA-N	218.220	-0.008	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	770711552	UASSHRGSNGNCPJ-JGVFFNPUSA-N	245.279	-0.612	50	10	BBGE	
C[C@H]1CC(=NNC(=O)[C@H]2COCCO2)CO1	842528107	PHBDYPFOYLIBKG-IONNQARKSA-N	228.248	-0.317	50	10	BBGE	
CNC(=S)N(C)NC(=O)Cc1ccnn1C	854921147	YRMUWJPPAFWFQR-UHFFFAOYSA-N	241.320	-0.570	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)Cn1ccnc1	910148771	XISQWPVSQJACMW-QMMMGPOBSA-N	212.253	-0.773	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1ncon1	1134617831	VIFMSRZQFKQSSG-UHFFFAOYSA-N	228.208	-0.744	50	10	BBGE	
O=S(=O)(CCl)N1[C@H]2COC[C@H]1C2	1260929777	UATIOZYCBOXFKH-PHDIDXHHSA-N	211.670	-0.014	50	10	BBGE	
Cc1cc(=NNC(=O)Cn2cncn2)cc[nH]1	1301222198	XFGKHACCSPEQGZ-UHFFFAOYSA-N	232.247	-0.453	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1ccon1	1322226356	RPDJGXUBGRIPII-UHFFFAOYSA-N	212.209	-0.433	50	10	BBGE	
CNC(=O)NNC(=O)CC1(C#N)CCOCC1	1327864046	QTIAHMTZGSGAFD-UHFFFAOYSA-N	240.263	-0.343	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNc2nc[nH]n2)CO1	1472574438	VOYVWLZNBSMEAH-PHDIDXHHSA-N	211.225	-0.327	50	10	BBGE	
Cc1nnc(C(=O)NN(C)C(N)=O)s1	1566497594	ZIDFLKCEXIMQKF-UHFFFAOYSA-N	215.238	-0.498	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1ccncc1	1628452213	CLENALWWPAESIS-SNVBAGLBSA-N	248.286	-0.063	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncc(F)cn1	1631929200	GMQMONNXZPQQIB-RITPCOANSA-N	239.210	-0.820	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(CO)(C(=O)NN)C1	1880023119	JCSZPWYCOYEOTF-UHFFFAOYSA-N	245.279	-0.794	50	10	BBGE	
CN1C[C@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1883555523	XSYRLSGSQAZFEB-MAUMQABQSA-N	204.701	-0.122	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CC(=O)NNCCO	1886968211	IKFYYGKQPOPKIN-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
C[C@H](OCC1=CCCOC1)C(=O)NN	1893660425	YXODJLJZUUQDEM-ZETCQYMHSA-N	200.238	-0.272	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@@H]2C[C@@H]21	1895004367	XNPVAFRWSVJQFS-QEYWKRMJSA-N	226.324	-0.611	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)[C@@H](COC)C(=O)NN	1897486124	DNBYNRIKCVRBJZ-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1ccccc1COC[C@H]1CCO1	1901307039	KASCETXXUNTDFV-SNVBAGLBSA-N	222.049	-0.328	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H](F)C1=O	1901638169	VBCQWQYKEGLLSE-PRJMDXOYSA-N	229.255	-0.427	50	10	BBGE	
C[C@@H](C(=O)N1CC[C@@](C)(B(O)O)C1)N(C)C	1902521497	HYZUSXOIAWPZKT-WCBMZHEXSA-N	228.101	-0.598	50	10	BBGE	
C[C@@]1(CN2CC[C@H](B(O)O)C2)CCNC1=O	1902547034	UFYSNDAOCVFDAW-WPRPVWTQSA-N	226.085	-0.939	50	10	BBGE	
CO[C@]1(C(F)F)C[C@H](C(=O)NNCCO)C1	1902689270	MPNHARIHTGLEAR-KZCWHLCOSA-N	238.234	-0.340	50	10	BBGE	
COC[C@]12C[C@H]1CN(CC(F)(F)C(=O)NN)C2	1906345995	KAYIHWYNIQFSAM-IONNQARKSA-N	249.261	-0.420	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@H]1CO	1909054489	DTIFOQJAYGUOMA-YIZRAAEISA-N	213.281	-0.766	50	10	BBGE	
CC(C)[C@H]1CCN(CCC(=O)NN)C1=O	1914827019	JLZZDJUNQOLEHO-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
CON1CCN(C[C@H](O)CCl)CC1	1915551077	KSZHDMDFAZAGFM-MRVPVSSYSA-N	208.689	-0.235	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)C(=O)NC	1916199754	BQFOOEOLEMMAIH-HTQZYQBOSA-N	230.312	-0.789	50	10	BBGE	
COc1ccc(CN(C)CCF)cc1B(O)O	1917269088	PQJTXNBZXVPMBX-UHFFFAOYSA-N	241.071	-0.224	50	10	BBGE	
CC(=O)N1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	1926338356	WVJFQVHWLPAZTL-IUCAKERBSA-N	238.243	-0.867	50	10	BBGE	
NNC(=O)COCCOCCC(F)(F)F	1928179572	RHKPIJXCLWNFKH-UHFFFAOYSA-N	230.186	-0.038	50	10	BBGE	
C[C@@]1(OC[C@@H]2C[C@H]2C(=O)NN)CCOC1	1928536967	MZNFSRHFITYHIJ-QXFUBDJGSA-N	214.265	-0.192	50	10	BBGE	
O=C(NNCCO)C1CCSCC1	1929833370	IHATXTUOUGEWSX-UHFFFAOYSA-N	204.295	-0.257	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1CNC[C@@H](O)C1	1934304187	AYKSAFWOWCXFMO-WDSKDSINSA-N	241.118	-0.123	50	10	BBGE	
CC12CC(N3CC(=O)OC(=O)C3)(CO1)C2	1935037525	WTJYHMZDPWMVKA-UHFFFAOYSA-N	211.217	-0.307	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@@H]2C[C@@H]2C(=O)NN)CO1	1936093761	HDYOIZFNDUZICI-KATARQTJSA-N	227.308	-0.278	50	10	BBGE	
CON(C)C1CN([C@@H](C)[C@H](C)C(=O)NN)C1	1936110833	SKADYTPRRIUWAF-YUMQZZPRSA-N	230.312	-0.822	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)Cn2ccnn2)C1	1937194325	QBPBBGQJMSVLKS-JGVFFNPUSA-N	243.698	-0.684	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941082957	KWSCEKHFSXDXBF-CHWFTXMASA-N	240.351	-0.363	50	10	BBGE	
O=C(CCl)N1CC2(C1)OCCC[C@@H]2O	1955416324	NIBSJZCFACBSBS-ZETCQYMHSA-N	219.668	-0.023	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCc1nc(=O)o[nH]1	1956989909	KTQHLVMBPYCSNC-SCSAIBSYSA-N	219.628	-0.004	50	10	BBGE	
C[S@](=O)(=NCCC(=O)NN)N1CCCC1	1960619162	VWWPXXHJQAFDLO-HNNXBMFYSA-N	234.325	-0.525	50	10	BBGE	
C[C@@H](CO)N1CCN(C[C@@H](O)CCl)CC1	1961173237	AEQOSUWYPCHMNC-UWVGGRQHSA-N	236.743	-0.416	50	10	BBGE	
O=C(c1ccc(CO)cc1)N1CC[C@@H](B(O)O)C1	1964510602	NUAKBJTZEOWPOF-LLVKDONJSA-N	249.075	-0.132	50	10	BBGE	
CC(C)[C@@H](OC[C@H](C)N(C)C)C(=O)NN	1974648953	UOQPQZQITHAULA-DTWKUNHWSA-N	217.313	-0.032	50	10	BBGE	
CC[C@H](OCCN1CCCC1)C(=O)NN	1974689434	GEPGJONUXVWPLG-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CCCN1CCn1ccc(B(O)O)n1	1977062489	PJLWNRSAWHSBOK-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
C[C@H]1CSCCN1c1ncccc1B(O)O	1981424530	UZIZOFUJFLTUKI-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CC1(Oc2nc(B(O)O)cs2)CCOCC1	1981425369	FUBMLQMNYQXWLJ-UHFFFAOYSA-N	243.093	-0.229	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H](O)[C@H]1C2	1983568705	WTBKDERKBAQWEQ-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC[C@@H]1CF	1986084908	QAJGASXBOMKRKD-SSDOTTSWSA-N	244.462	-0.037	50	10	BBGE	
CN(CCC(=O)NN)CC1(O)CCCCC1	1986955187	YFYWEQKXSRFEKR-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H]1CF	1989260987	UWQWEGYYNCPIIK-IWSPIJDZSA-N	233.287	-0.471	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@@](C)(O)C1)C(=O)NN	1989511689	GHNCJWSADKRQDI-KKZNHRDASA-N	229.324	-0.295	50	10	BBGE	
C=C[C@@H]1CN(CC(=O)NNC(C)=O)CCO1	1990745983	QKUNSKAGLHJYBD-SECBINFHSA-N	227.264	-0.960	50	10	BBGE	
O=C(O)CN1CC[C@H](NC[C@H]2C[C@@H]2Cl)C1=O	1991439611	UCFQTKDQJGSGKK-CSMHCCOUSA-N	246.694	-0.111	50	10	BBGE	
NCCn1cc(C(=O)NC[C@H]2C[C@H]2Cl)nn1	1991443912	XTMWFDDHLSIEOR-RNFRBKRXSA-N	243.698	-0.406	50	10	BBGE	
O=C(O)CN1CCN(C(=O)[C@@H]2C[C@@H]2Cl)CC1	1991681578	BNWCZPSYNCJUEQ-SFYZADRCSA-N	246.694	-0.158	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC([C@@H](F)CO)CC1	1999598403	CYFLSDRCQLJXGM-VHSXEESVSA-N	247.314	-0.203	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)CC23CC3)CC1	2003743489	FAONIHFTLUPVLL-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
Cc1cnc(N2CC(CCF)C2)c(B(O)O)c1	2005017154	AKRYNMWSFBKCRI-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
COCCCCOc1nc(C)ncc1B(O)O	2014223567	HFWHVMRUZITVFZ-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
CN1CCN(CC(F)(F)C(=O)NN)CC12CC2	2014771107	DTSSISQOQMPQEC-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
Cc1nn(Cc2ccnnc2)c(C)c1B(O)O	2026206849	DMQZFPIEYVXILD-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
Cc1cc(OCc2cnn(C)c2)cc(B(O)O)c1	2049635053	RDJCGVAVXXFUIP-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CC(C)(C)c1cn(-c2ncncc2B(O)O)cn1	2052603786	RXVVURJVZFDCLD-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)n1	2086988847	BISTYEDHYKADJN-LNRQSERFSA-N	246.075	-0.502	50	10	BBGE	
COC[C@H](C)COCc1nscc1B(O)O	2211135268	HEFLOWDGJKXTLU-ZETCQYMHSA-N	245.109	-0.378	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@H]1CC[C@@H]1C(=O)NN	2211838691	KHXCXACLDONQPS-HRDYMLBCSA-N	227.308	-0.542	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)ccn1)[C@@H](C)O	2212614906	IDMUTSASLYRHRG-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2C[C@@]2(O)C1	2215770120	AAULTEQDCJKYHU-DNRKLUKYSA-N	239.319	-0.541	50	10	BBGE	
OB(O)c1ccnc(-n2ccc(C3CC3)n2)c1	2217169254	DJBBILKDBSPKMM-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H](C3)C2)c1	2217172052	HHPFYFLPVUBDAK-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1c1ccc(B(O)O)cn1	2217173261	PRFOIKXDCIJMLW-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H]1C[C@@H](COc2ccc(B(O)O)cn2)CN1	2217173778	QKOWLLDJOOUBGQ-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)c(C)cn1	2217184233	RDVMQLWJVDHMTC-SECBINFHSA-N	236.080	-0.581	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCC=CO1	2217200816	MEQHAGVJVLWRFV-VIFPVBQESA-N	234.064	-0.134	50	10	BBGE	
Cc1cnc(N[C@@H]2CO[C@H]3C[C@@H]2C3)cc1B(O)O	2223642354	ZXDXHOAHOIEIOL-WCABBAIRSA-N	248.091	-0.341	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CC[C@H]3C[C@H]2CN3)nc1	2223644644	LZGPIFXGEDDCOD-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCNC3(CC3)C2)nc1	2223668707	AAKVJINPJVXCLW-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CNc1cc(B(O)O)ccn1	2223671876	QUDQCUNATQIIMM-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
CCn1cncc1CNc1cc(B(O)O)ccn1	2223679475	QDRRXARPCBHDNV-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H]1[C@H](O)CO	2241811895	VHUBOVLEYQOPGL-LYFYHCNISA-N	207.657	-0.432	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@@H](F)C1	2243359100	OTPANZXTWSMIAT-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
COCOCCCNC(=O)C1(B(O)O)CC1	2243364437	XDBQZHBNBYSSDQ-UHFFFAOYSA-N	231.057	-0.880	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CCC2)CN1	2243365983	VQSTZJZFXXKUHV-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
O=C(NCCF)c1ccc(F)c(B(O)O)c1	2243374427	FGNUEPBAUYXNAQ-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
CC(C)CCNC(=O)c1cc(B(O)O)sn1	2243378715	YATDORKKGGNSMP-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CCC1(O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382509	OTGAHPAJRMUGPB-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1CS2	2243383430	XWOVUHSRUIVHJZ-UYXSQOIJSA-N	241.121	-0.044	50	10	BBGE	
CC(C)(F)[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243399002	IVNKDVOKQFOEMI-MRVPVSSYSA-N	227.044	-0.402	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	2243404540	PWFICYNYFZECQV-LPEHRKFASA-N	221.065	-0.351	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CC[C@H]1N	2243404827	VDZFXBLXZAHILO-XAVMHZPKSA-N	226.085	-0.813	50	10	BBGE	
Cc1cccc(C(=O)NC2CC2)c1B(O)O	2243409588	LBOYDVKBNPCUAL-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
O=C(N1C[C@@H](O)C12CCC2)C1(B(O)O)CC1	2243410360	ZZYXGZDCBGSXLC-SSDOTTSWSA-N	225.053	-0.881	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)C1(B(O)O)CC1	2243410467	BVRTZFVMJIBHJL-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
C=C(CS(=O)(=O)Nc1ccccc1)B(O)O	2243412917	WFFAJENQAUWCOP-UHFFFAOYSA-N	241.077	-0.004	50	10	BBGE	
C=C(CS(=O)(=O)NC1CC2(CC2)C1)B(O)O	2243413072	YVSSBADJOBZEPS-UHFFFAOYSA-N	245.109	-0.583	50	10	BBGE	
CP(C)(=O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243413827	OCSGMSWVXLWABX-OCAPTIKFSA-N	247.040	-0.022	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417603	UZIRMHDPQNPYLV-LURQLKTLSA-N	227.069	-0.610	50	10	BBGE	
O=C(NC1CCCC1)c1cocc1B(O)O	2244216091	HIAPATQXSYBLSH-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2COC[C@H]1C2	2244492945	UUPXBEFPPXLVCZ-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
CC1(C)C[C@H]1CC(=O)NCCC#CB(O)O	2244547903	HOSYXGUYTWWMPY-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
CCC[C@H]1C[C@H]1C(=O)NCCC#CB(O)O	2244551526	GZOAOVUJBIFWLI-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
COC[C@H](S[C@@H]1CNC(C)(C)C1)C(=O)NN	2245396228	ROAKSIXCMJLXQY-YUMQZZPRSA-N	247.364	-0.135	50	10	BBGE	
CC(C)CCONC(=O)c1ccoc1B(O)O	2247744523	UJPVFYNVBGKEDY-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
CC[C@@H](C)NC(=O)c1ncc(B(O)O)cc1F	2247753976	BKXOQITZUQCZAR-ZCFIWIBFSA-N	240.043	-0.571	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783884	MKOUJWUTHWMHHF-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1sc(C)cc1B(O)O	2247788079	YZYHEQUSZBELJE-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
C=CCOCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791811	OWAIPRURNICEEO-AOOOYVTPSA-N	241.096	-0.100	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]1CCCO	2247799521	DVPJKNVUEBGVJG-BBBLOLIVSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@@H]1B(O)O	2247809908	SJMDQJHFLPVMBY-WBBBMGQGSA-N	239.080	-0.875	50	10	BBGE	
O=C(NCCCc1cnoc1)[C@@H]1C[C@@H]1B(O)O	2247809957	SOPFSASYXTVPCF-BDAKNGLRSA-N	238.052	-0.414	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccccc1O	2247848145	HRYFFFIWQPCXIJ-MRVPVSSYSA-N	233.032	-0.415	50	10	BBGE	
CCN(C(=O)c1ncccc1B(O)O)C1CC1	2247853890	TZMORJZPRBFSOC-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N(O)C1CCCC1	2247872221	OVUOFHMFCKNMSF-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
CCOC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247877357	GTZAEEFFYVXLER-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
C=C1CN(C(=O)c2ncc(C)cc2B(O)O)C1	2247891221	GQIIATVTEHQMOS-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](C2(O)CC2)C1	2247898946	IVCMYVBIDFZHIU-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2248577666	NPURMXXSVJRISV-CSMHCCOUSA-N	243.068	-0.837	50	10	BBGE	
C=C1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)(C(=O)O)C1	2248587580	RLPWBUAOKZSLIS-RQJHMYQMSA-N	239.036	-0.861	50	10	BBGE	
Cc1nc(CN2CCC(B(O)O)CC2)nn1C	2249378150	LIBLNHSNLIBVAR-UHFFFAOYSA-N	238.100	-0.438	50	10	BBGE	
CCN(CC1CC1)C(=O)c1cc(B(O)O)co1	2249415578	GINSBPJKBYTXTE-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249434049	UTWBACYXVORYAM-BHNWBGBOSA-N	237.064	-0.266	50	10	BBGE	
C#CC1(NC(=O)c2occc2B(O)O)CCC1	2250673899	HHQUXYPNURKKAM-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
CC1(C)[C@H]2CO[C@@]1(C(=O)NCC=CB(O)O)C2	2251246129	COSUESSGHOKVIR-LDYMZIIASA-N	239.080	-0.514	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1c(F)cccc1B(O)O	2255512969	IVZBSUSIRXTZKR-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC=CCC1	2255518967	QWLIWPOSCBKMOO-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
Cc1ccnnc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2255567256	BQGUWKJKKFYJHI-BDAKNGLRSA-N	249.079	-0.394	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2255680827	UCJJVHLHVIXIIS-BEYHFKMWSA-N	247.059	-0.560	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1ccccc1B(O)O	2255917870	MEEKTBUWQXHBFE-SECBINFHSA-N	246.075	-0.100	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)c1ccc[nH]1	2256368298	GXVXXWAEZBUGEG-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(B(O)O)co1	2258136613	MSXCZTXLWIJVFM-OYNCUSHFSA-N	247.059	-0.346	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2298367998	HFYZZEDJJOBEHO-JGVFFNPUSA-N	233.032	-0.640	50	10	BBGE	
NCC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375741	YCETUPUBXAIJCN-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2298377122	FQZFMUQQSJHSQF-MMDZMLKVSA-N	235.092	-0.038	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300371586	NHKOXMPWOVYUJL-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CC(C)=C(CN(C)C1COCCOC1)B(O)O	2301854474	MCAONCXHZYLWCO-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccc(B(O)O)cc1	2307371289	ZDRFCKNNNCTPGX-AOOOYVTPSA-N	237.039	-0.403	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1cocc1B(O)O	2313081168	FURLDFPLBSVPEH-LAEOZQHASA-N	249.075	-0.122	50	10	BBGE	
CNC1(COc2ccc(B(O)O)cc2C#N)CC1	2317211020	HIAHUEKLVKDELJ-UHFFFAOYSA-N	246.075	-0.631	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccc(C=O)c(B(O)O)c2)CN1	2317350713	XFSAENPIGATYLH-LDYMZIIASA-N	249.075	-0.692	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3C[C@H]2CN3)cc1B(O)O	2318486288	XBXHRPNGDJKNOT-QXEWZRGKSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1O[C@H]2CC[C@H]1C2	2327632608	ZEUCCCJDKYQAAM-AUTRQRHGSA-N	249.075	-0.292	50	10	BBGE	
NNC(=O)c1ccn2ncc(C(=O)O)c2c1	74077447	RRNYDUHGNVPZOU-UHFFFAOYSA-N	220.188	-0.364	50	10	BBGE	
NNC(=O)CCCN(CCO)C1CC1	82470830	QCRWPNLRZPCZSD-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)CCCl	85088998	VCDHMBBRGXFKLB-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
C[C@H]1COCCN1C[C@@H]1CC[C@H](C(=O)NN)O1	110575402	MFPXGIXGVREATI-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
CCCOCCOC[C@H]1CC[C@@H](C(=O)NN)O1	111111618	KSEBNBGMJMXMCT-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
CNCCCN(C)Cc1ccc(C(=O)NN)o1	125011077	IKGOFWMFFWSDCK-UHFFFAOYSA-N	240.307	-0.076	50	10	BBGE	
C#CCOCCOCCS(=O)(=O)F	149437170	WXUNXGFRRXZOSC-UHFFFAOYSA-N	210.226	-0.048	50	10	BBGE	
COCCOCCOc1ccccc1B(O)O	203507220	CRZMHSLPLBFCNG-UHFFFAOYSA-N	240.064	-0.592	50	10	BBGE	
Cn1cc(B(O)O)cc1Br	206164691	QYLOQZROSBQFQZ-UHFFFAOYSA-N	203.832	-0.533	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383950	NHMOXIQBZGKEGC-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)[C@@H](C)CCl	230991132	CHGVMBKVBNPENT-LURJTMIESA-N	242.728	-0.473	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCCCO1	232419604	KYCVWGAXZOVCFK-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2	250989788	CGKKIEULNHFYIG-FXQIFTODSA-N	211.265	-0.471	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCO1	251568016	TVQUSTHOFCKWCH-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCN(CC)C(=O)CS[C@H](C)C(=O)NN	300771830	ACMWRUPLNVJUOX-SSDOTTSWSA-N	233.337	-0.034	50	10	BBGE	
Nc1c(B(O)O)ccc2scc(O)c12	306896927	REJYVIDLMWUQFO-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O[C@@H]1[C@@H](CCl)O[C@@H](F)[C@H](O)[C@H]1O	307174319	TWUKFHBIOCRRBD-VFUOTHLCSA-N	200.593	-0.998	50	10	BBGE	
COc1c(F)cc(F)c(F)c1B(O)O	307444040	BGWGFRQQHFTHHI-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
Cc1cc(CN2CC(C)(O)C2)oc1C(=O)NN	383955650	CKOXSWSNEKFCBQ-UHFFFAOYSA-N	239.275	-0.242	50	10	BBGE	
Cc1cc(=O)n(Cc2nc(C(=O)NN)co2)cn1	386844131	UNXCMFSFPSUDOK-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
C[C@@H]1CN(Cc2occc2C(=O)NN)C[C@H]1O	388798636	JBZLKDZEULWZFI-VXNVDRBHSA-N	239.275	-0.304	50	10	BBGE	
CC(C)N(CCOCCO)C(=O)NN	388838620	WINOZZVINSQWSD-UHFFFAOYSA-N	205.258	-0.711	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(CCCCl)C1	389294138	FGTNKGIRURLWBM-SECBINFHSA-N	220.700	-0.073	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CSC[C@H]1C	389653189	XJIPYPZGODGZJO-HTRCEHHLSA-N	231.321	-0.505	50	10	BBGE	
COC(=O)c1ccc(B(O)O)cc1CCC#N	396137220	KXTTYSWIRWQKAW-UHFFFAOYSA-N	233.032	-0.391	50	10	BBGE	
N#Cc1cc(B(O)O)c2cc(CO)sc2c1	396221774	MWMLIVWPHTYUHS-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398737575	FCQNSEUGFKITPF-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
CC[S@](=O)Nc1cc(B(O)O)ccc1C	404879113	HTICUWBZFIFIRG-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)O1	404961911	CRDPFUSLATWEAL-KWQFWETISA-N	249.075	-0.128	50	10	BBGE	
CCOC(=O)[C@H](CC)[S@@](=O)CC(=O)NN	586366405	FCKLYTIDWAQCFA-XHLQUELWSA-N	236.293	-0.933	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCCSC1	689622835	VOPSCLDORSRQGB-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
NC(=O)C[C@H]1CCN(C(=O)NC(=O)CCl)C1	690805147	LUEULPAZGNVULP-ZCFIWIBFSA-N	247.682	-0.341	50	10	BBGE	
CC(C)(CCN1CCSCC1=O)C(=O)NN	691040620	OIEWSPBSUAWMFI-UHFFFAOYSA-N	245.348	-0.032	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](C#N)C1	693907943	QYLAOJCBCSPTEG-IUCAKERBSA-N	210.281	-0.010	50	10	BBGE	
CCNC(=O)N1CC(C)(C(=O)NN)C1	698502332	BVRZYORKAYRMCA-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
CCn1cc(C(=O)NNC(N)=S)nc1O	700015406	HGQHJWFYHCGVPN-UHFFFAOYSA-N	229.265	-0.913	50	10	BBGE	
NC(=S)NNC(=O)Cc1cn2ccccc2n1	700853497	ZBBYPYZAJZDKCN-UHFFFAOYSA-N	249.299	-0.259	50	10	BBGE	
NNC(=O)CCN1CCC12CCOCC2	707413523	IIRSTAQSUJXHLI-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715416210	NUEBTSYRGFGXPN-XVMARJQXSA-N	235.234	-0.812	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1O	725614599	JBRLDQGFFYENAV-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
COCC(C)(C)CC(=O)NNC(=O)CN(C)C	839641819	XBMYMAIAGJGAJW-UHFFFAOYSA-N	245.323	-0.242	50	10	BBGE	
C[C@H]1CN([C@@H](C)CNC(=O)NN)C[C@@H](C)O1	848605114	JLYWXBNEGVNYRP-XHNCKOQMSA-N	230.312	-0.343	50	10	BBGE	
COC[C@H](OC)C(=O)NN=c1cc[nH]cc1C	862498852	BAUZBPTULHAETM-JTQLQIEISA-N	239.275	-0.084	50	10	BBGE	
Cc1cncnc1N1CC[C@H](B(O)O)C1	900963824	AIXHGAAYYJUJLC-QMMMGPOBSA-N	207.042	-0.162	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNC(=O)C1CCCC1	1136086287	OWPKLJGAXABZMV-ZETCQYMHSA-N	241.291	-0.165	50	10	BBGE	
CC[C@H](C(=O)NN(C)C(N)=O)[C@H](C)O	1457736185	OWPMHXDDPLJNGF-WDSKDSINSA-N	203.242	-0.565	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc2c[nH]nc2c1	1543990979	APKOFNLXVVZDQV-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(=O)c1ncccn1	1681483990	UHPVAEADIHDCOD-SSDOTTSWSA-N	248.246	-0.420	50	10	BBGE	
CCCC(=O)NN(CC(=O)O)CC(=O)O	1858081439	LSSDDVMWZLCDMS-UHFFFAOYSA-N	218.209	-0.711	50	10	BBGE	
COC(=O)C[C@@H](NC(=O)CCCl)C(=O)O	1866011628	VGTGTQIHRQGJHL-RXMQYKEDSA-N	237.639	-0.252	50	10	BBGE	
NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1Br	1877336288	KRPMBDPVRYNELY-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
COCCN[C@H]1CS(=O)(=O)C[C@H]1Cl	1882021629	JDCUEPHTCHXXNE-RQJHMYQMSA-N	227.713	-0.373	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](N)[C@@H]1C[C@@H]1Cl	1883645534	PRNBSOSMJDMCAH-VQVTYTSYSA-N	226.729	-0.168	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2CS(=O)(=O)[C@H]2C1	1887072306	MRQGDGRGQHXLOJ-RQJHMYQMSA-N	237.708	-0.129	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC([C@@H](O)CO)C1	1887273014	FXWJRGPMQHOKIL-SFYZADRCSA-N	221.684	-0.185	50	10	BBGE	
CSCC(=O)N1CC[C@@](C)(B(O)O)C1	1891517484	PBNGAPVVIVPSGM-MRVPVSSYSA-N	217.099	-0.185	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)NNC(N)=S	1892661340	DREVYVDQGKAOII-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H]1Cl	1893461581	QKEPPSXUPQDPKW-OOJXKGFFSA-N	218.684	-0.466	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@@H]1COC[C@@H]1O	1893461766	SGWUQSVEPKMCDH-CWKFCGSDSA-N	219.668	-0.168	50	10	BBGE	
C[C@@H]1C(=O)N([C@@H](C)CC(=O)NN)C(=O)[C@H]1C	1894135942	CZCCHRVROFXQOU-ACZMJKKPSA-N	227.264	-0.604	50	10	BBGE	
CCCCCNC(=O)c1cnsc1B(O)O	1900468082	WENONNRENLAGKG-UHFFFAOYSA-N	242.109	-0.257	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	1902520936	DZSDXURERXAYTG-NQMVMOMDSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CC[C@H]1C2)C(=O)NN	1912263932	QCKPLIVZYHKWRX-FXQIFTODSA-N	211.265	-0.377	50	10	BBGE	
COCCNC(=N)SCC(=O)NNC(C)=O	1920851536	ZTDHPBXEAFJDMA-UHFFFAOYSA-N	248.308	-0.942	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCCO)CCCO	1922186411	RLYFHHPJIBTUHV-NXEZZACHSA-N	247.339	-0.932	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCSCC1=O	1927916709	GHXZTOIJZRLPSR-BQBZGAKWSA-N	229.305	-0.812	50	10	BBGE	
COC1(C(=O)NNCCO)CCCCC1	1929836302	HKGXUUAVCZMECH-UHFFFAOYSA-N	216.281	-0.051	50	10	BBGE	
CCCOCCOC(=O)NNCCO	1929842561	WCJFBVZNYZDFKK-UHFFFAOYSA-N	206.242	-0.364	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCn1ccnc1	1930063708	DNNSCRIMRRMQEX-QMMMGPOBSA-N	211.269	-0.807	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@H]1CC(=O)N1	1930118155	LOHBGQWZGRDKRN-ZCFIWIBFSA-N	215.253	-0.014	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)C[C@@H]1C	1934982237	YPZOYVDMQBJCAX-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936094770	PUFBHKMMSPSRJM-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
CN(C)CCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936095128	UFXHPIHWXMOUSC-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
CCON(C)Cc1ccc(F)cc1B(O)O	1937138241	VPFSQTZUXPFTLV-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCCC[C@H]21)C(=O)C(=O)NN	1937645304	YFFXFVFRMZBXRT-BRPSZJMVSA-N	225.292	-0.129	50	10	BBGE	
Cc1cn(CC2(C(=O)NN)CC2)ccc1=O	1938259753	PVXNRMMAAYCEIP-UHFFFAOYSA-N	221.260	-0.073	50	10	BBGE	
CN(C)NC(=O)N1[C@H](C(=O)O)C[C@H]2OCC[C@H]21	1940204273	XZCWGDQGSNNXNA-GJMOJQLCSA-N	243.263	-0.511	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CCCO1	1942620779	HURVSUBWSQPRHU-UHFFFAOYSA-N	237.064	-0.488	50	10	BBGE	
Cc1ncc(OCOCC2CC2)cc1B(O)O	1944010927	JVQNSRUNJASJQO-UHFFFAOYSA-N	237.064	-0.167	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@H]1C[C@@H]1C(=O)NN)C2=O	1946988495	QGQDOIQEFGTGDA-WDOVLDDZSA-N	237.259	-0.993	50	10	BBGE	
CC1(C)CCCO[C@@H]1CCNC(=O)C(=O)NN	1949099441	MOQFTROUEKFTNJ-MRVPVSSYSA-N	243.307	-0.312	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](CB(O)O)C(=O)O	1951320407	KERNTFHXSQCELX-YFKPBYRVSA-N	233.029	-0.563	50	10	BBGE	
N#CC1(O)CCN(CCCS(N)(=O)=O)CC1	1951321242	GYQJDLRFCCRGHJ-UHFFFAOYSA-N	247.320	-0.985	50	10	BBGE	
C[S@@](=O)C1CN(C[C@@H](Cl)C(=O)O)C1	1954057077	NAEDIJILEOATMV-CAAJLBCPSA-N	225.697	-0.259	50	10	BBGE	
CCCOC1(C(=O)NNC(N)=S)CC1	1954983279	KCGGLSQDYFZFFQ-UHFFFAOYSA-N	217.294	-0.190	50	10	BBGE	
CN(C(=O)CCCl)[C@H]1CC(=O)NC1=O	1956858760	QADTWOLNTDVUBP-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
C[C@H]1C[C@H](OCCCC(=O)NN)CO1	1956932851	YVKKVJCQHIIHEI-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
NNC(=O)CN1C(=O)[C@@H]2CCCCC[C@@H]21	1961294549	YDWGPIBWTKCTMT-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
CC(F)(F)[C@H]1CCCN(C(=O)C(=O)NN)C1	1976293403	DNDZPLOQLTUBHG-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@H]1C[C@@H]1C(=O)NN	1976934987	WPSNWKMABQOGPY-UTLUCORTSA-N	226.324	-0.752	50	10	BBGE	
NNC(=O)CCCCCN1CC=C[C@@H](O)C1	1978919756	NOEUVXSBIRIHCZ-SNVBAGLBSA-N	227.308	-0.231	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H]2CCN2)CC1	1979101549	MMKZZPKMEGFSBP-VIFPVBQESA-N	223.276	-0.385	50	10	BBGE	
COCCN([C@@H](C)C(=O)NN)[C@@H]1CCSC1	1980767769	IRODJLHYUDWYDH-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C(CO)CC1	1980959811	BCUDYHRBCYZXDS-SNVBAGLBSA-N	227.308	-0.231	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC12COC2	1981143868	PSIZETSDVWIXEN-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
CN(CC(C)(C)F)c1ccncc1B(O)O	1981425149	CSOOWLFAZXQLBN-UHFFFAOYSA-N	226.060	-0.054	50	10	BBGE	
C[C@H]1CCN(c2nc(B(O)O)cs2)CCO1	1981472623	RYKOTYHJECVRCM-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C2(CCCCC2)C1	1982144278	GNQZQAREGKYECM-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](Cn1cccc(B(O)O)c1=O)C1CC1	1984101498	LTMCECBYLMJOOF-QMMMGPOBSA-N	221.065	-0.426	50	10	BBGE	
CC(C)[C@@H](OCCn1cccn1)C(=O)NN	1986446580	VOASPPWZZAWTHF-SECBINFHSA-N	226.280	-0.086	50	10	BBGE	
C[C@@H]1CN(C(=O)C=CC(=O)Cl)C[C@H](CO)O1	1991647429	DIGCHULBVJUBEG-HTQZYQBOSA-N	247.678	-0.084	50	10	BBGE	
NC[C@H]1C[C@@H](NC(=O)C=CC(=O)Cl)CCO1	1991662914	PHVWMOBVTPUTQM-JGVFFNPUSA-N	246.694	-0.070	50	10	BBGE	
NC(=O)CC[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1991682243	ICKXIZLWGCCEMF-ZLUOBGJFSA-N	248.666	-0.551	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2COC[C@@H]2Cl)COCCO1	1992638591	MISQYBKKBWGMSU-QXFUBDJGSA-N	249.694	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CO[C@H](C)C1	1996343364	WBQQLEKCXFQVMH-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
CC(C)C[C@H]1CCN1c1ncncc1B(O)O	2004911068	BZCBJSDJFWXZSZ-SECBINFHSA-N	235.096	-0.219	50	10	BBGE	
CC1(F)CCN(c2ncc(B(O)O)cn2)CC1	2004918167	IFZBVZHVFUWGDY-UHFFFAOYSA-N	239.059	-0.515	50	10	BBGE	
Cc1ncnc(N(C)CC(C)(F)F)c1B(O)O	2004974640	NHSIUXXJWUKDKE-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
CN(CCCC(=O)NN)CCN(C)C1COC1	2005235233	QITLJMMHMYMVCX-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2CCC[C@H]21	2008840481	MUPDCRXYSUBQLK-URLYPYJESA-N	233.076	-0.426	50	10	BBGE	
C[C@@H](Cn1cccc(B(O)O)c1=O)C1CCC1	2008844650	QOXNRJIGIVXTJH-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)nc1	2011373678	QBEASXWGEGFPJC-XCBNKYQSSA-N	236.275	-0.750	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@H]2C[C@@H]1C2	2011806965	HLVYEGQWXZGBCR-UTINFBMNSA-N	243.307	-0.900	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](CO)C2)C(=O)NN	2012638824	DMSBEVLPYOKYID-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@@H]1C1CC1	2019207489	BPSRFRFMLJSNPF-SNVBAGLBSA-N	241.291	-0.736	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)ccc1F	2022199746	IZJZGVSQRDJUDJ-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CN1CCN(Cc2cncc(C(=O)NN)c2)C1=O	2027476146	ZMKLAPPQIVLZOJ-UHFFFAOYSA-N	249.274	-0.448	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCCCC[C@H]32)nc1	2052473827	XSIGSUQBFAAGNK-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2C2CCC2)c1B(O)O	2052553974	NZVDXLGJESJHLB-JTQLQIEISA-N	247.107	-0.156	50	10	BBGE	
N#Cc1ncn(Cc2ccc(C(=O)NN)nc2)n1	2056638182	UWZIDXBSEIDURQ-UHFFFAOYSA-N	243.230	-0.803	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(C=O)cc1B(O)O	2060039115	BJARAMLSGMZAIN-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1ccc(Cl)c(C=O)c1B(O)O	2060133615	FURQOMAJNBSYRY-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
CCc1c(OC)ccc(B(O)O)c1C#N	2060260865	GFTQZWKMSUDQIW-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
CCc1c(C#N)cc(OC)cc1B(O)O	2060265055	IUFKIYJLPPDNGL-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1cc(C=O)cc([N+](=O)[O-])c1B(O)O	2060282029	AWJZPUYTUIIZJL-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
O=C(F)Nc1nc(B(O)O)ccc1Cl	2210099707	KLAVJHOJMOSIKG-UHFFFAOYSA-N	218.380	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN(CCO)C1CC1	2211839766	YUNJAMBYEIIXPP-WPRPVWTQSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2C(=O)COC2=O)CCC1	2212266809	QPVAMCJDPZZWAP-UHFFFAOYSA-N	227.220	-0.875	50	10	BBGE	
OB(O)c1cnc(OC2C[C@H]3C[C@@H]3C2)nc1	2212293782	MHRGVYDXEKEHHI-RNFRBKRXSA-N	220.037	-0.666	50	10	BBGE	
CC(C)OCCN=c1ccc(B(O)O)c[nH]1	2212612774	OIBUDTLDBRSPSX-UHFFFAOYSA-N	224.069	-0.980	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)CCC[C@H]2C1	2213404951	JLECKOJKFZCKQY-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CO[C@H]2CCOC2)CCOCC1	2216854840	NLXXGYVVIBHFTH-VIFPVBQESA-N	244.291	-0.421	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@@H]3CC[C@@H]23)c1F	2217181597	RXRBGHDDLPNTCW-RNFRBKRXSA-N	236.055	-0.032	50	10	BBGE	
C[C@](N)(COc1ccc(B(O)O)cn1)C(F)F	2217188140	KHROEDNVSXVVHT-VIFPVBQESA-N	246.022	-0.877	50	10	BBGE	
CC[C@@H](N)C[C@@H](C)Oc1cc(B(O)O)ccn1	2217192744	JFBLUKILGGLXMH-PSASIEDQSA-N	238.096	-0.344	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)[C@H]1CCCN1	2217192929	KACIPQPZRPZWDL-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1c1ncccc1B(O)O	2217196216	QQUGLTHLOXVURY-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
NCCN(Cc1cccc(B(O)O)c1)CC1CC1	2220066561	JEJAORQZUNCXHO-UHFFFAOYSA-N	248.135	-0.463	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)c1B(O)O	2222643508	QDQDDHBVKJIRGG-ILWJIGKKSA-N	247.107	-0.300	50	10	BBGE	
CN(CCN(C)C1CC1)c1cc(B(O)O)ccn1	2223650187	JEXHLYQUVVYTQI-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
N#CCNS(=O)(=O)N1CC(Cl)C1	2241337856	BNYPHCOHAKWXCD-UHFFFAOYSA-N	209.658	-0.733	50	10	BBGE	
CN(CCNC(=O)NN)C(=O)C1CC1	2241373754	WTRHQHOEAZGHTC-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H](F)C1	2241480811	MHFMBVQWUXFJGT-VQVTYTSYSA-N	201.006	-0.580	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)[C@]1(O)CCNC1	2241658783	SEVNCWKBTWKLPK-ZKWXMUAHSA-N	218.684	-0.403	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2243357388	WBKBIQADFLXPJM-MXHPPYTASA-N	219.049	-0.885	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ncsc1B(O)O	2243358433	HBDUGSJNHWKRRF-RITPCOANSA-N	240.093	-0.649	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1sccc1B(O)O	2243374622	HTAHZIXQNGYIHH-RXMQYKEDSA-N	247.031	-0.435	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)[C@H]1C[C@@H]1B(O)O	2243391581	MEAWFKLLMOFSFJ-WDSKDSINSA-N	224.000	-0.556	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(C1CC1)C1COC1	2243392916	XUJVMSQZUIMKGU-BDAKNGLRSA-N	225.053	-0.761	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@H]1B(O)O	2243396917	SLVKMPCZIQSYIP-JGVFFNPUSA-N	223.041	-0.769	50	10	BBGE	
CCCC1(O)CN(C(=O)C2(B(O)O)CC2)C1	2243397750	IJQFEUQFURYNLU-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
O=C(C#CB(O)O)N1CC=CC12CCCC2	2243398867	IGFBQCCKUBJNJO-UHFFFAOYSA-N	219.049	-0.287	50	10	BBGE	
CC(C)CONC(=O)c1occc1B(O)O	2243399161	XWVVYNDPVUQUFX-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)sn2)[C@@H]1C	2243414407	ADJFBVCZMYHNHJ-UAJQPJLXSA-N	240.093	-0.793	50	10	BBGE	
CC1(C)COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243425910	CRQDJCQHXGLUCC-FXQIFTODSA-N	227.069	-0.610	50	10	BBGE	
CC(C)(C)OCCNC(=O)[C@H]1C[C@H]1B(O)O	2243427356	UHAHCQKQGSNMLT-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
CCN(O)C(=O)Nc1cccc(B(O)O)c1	2243433581	NREPVZUUDLRWDA-UHFFFAOYSA-N	224.025	-0.391	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)CF)c(B(O)O)c1	2244149864	RUUXHLJTBWFZNE-QMMMGPOBSA-N	226.060	-0.136	50	10	BBGE	
CC1(C)CN(C(=O)c2cc(B(O)O)co2)C1	2244205135	GHUWQCFRWWKOAY-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cocc1B(O)O	2244205457	JQWZWQCRXXDOJF-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
CC1(C)CN(C(=O)NCCC#CB(O)O)C1	2244534460	KCHCZQIORAOYAU-UHFFFAOYSA-N	224.069	-0.557	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]2CF)n1	2247142682	IZVCBPYRCSSZLI-ZETCQYMHSA-N	240.043	-0.682	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]1CF	2247743643	GZIUWXHVTUMXJP-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	2247747213	KLHRSFNOOVAXEZ-PRJMDXOYSA-N	243.018	-0.448	50	10	BBGE	
O=C(C#CB(O)O)N1CCOC2(CCC2)CC1	2247747338	MEKBNPHJCDKOJU-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=CCCC1	2247747458	NTESBRLURPZQTH-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CC1	2247755023	ICLHJWXZDNHERO-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
O=C(N1Cc2nc[nH]c2C1)C1(B(O)O)CCC1	2247755095	GMKDQPBCQFWUPX-UHFFFAOYSA-N	235.052	-0.351	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1F	2247755274	CKRRZBKMWUOMBY-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1NCC2)C1(B(O)O)CC1	2247756088	MCBFJEIGEOZVLK-KWQFWETISA-N	238.096	-0.606	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1C[C@H]2CC[C@H]1O2	2247756484	MMOMGDNBLKCPJR-HRDYMLBCSA-N	239.080	-0.228	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)C1CC(B(O)O)C1	2247799196	ARBMBNJQEHLQBR-AUXWQGHOSA-N	241.096	-0.483	50	10	BBGE	
CC(C)(C)[C@@H]1[C@@H](O)CCN1C(=O)C#CB(O)O	2247849642	CNTXFDPMXLXARP-WPRPVWTQSA-N	239.080	-0.990	50	10	BBGE	
CC[C@H]1CNCCCN1C(=O)C1(B(O)O)CC1	2247853391	LMKUIJRQTYXVSG-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C(NCCc1ncc[nH]1)[C@H]1C[C@@H](B(O)O)C1	2247858668	GYLPJEFOQCMMRZ-OCAPTIKFSA-N	237.068	-0.679	50	10	BBGE	
CCN(O)C(=O)c1c(OC)cccc1B(O)O	2247885845	SCVQOUAOTMWAAC-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247893397	QWVDNOJPUXISFR-DKEVHCRPSA-N	241.096	-0.219	50	10	BBGE	
CN(CC1(O)CCCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247897528	UIYNOUIECAFALI-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247898719	HGZAGXFAMMQQSO-JXUBOQSCSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CN	2247899087	KHGKZTIMHMKHML-RGOKHQFPSA-N	240.112	-0.707	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2nc[nH]c2c1	2248554156	OXTRGYCFBIJCAD-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
O=C(NCCC#CB(O)O)N1CCC2(CC2)C1	2249987374	CAONAFGIFDUKRT-UHFFFAOYSA-N	236.080	-0.413	50	10	BBGE	
C[C@H]1CC[C@H]1CNC(=O)c1ccncc1B(O)O	2255454609	QTWWUPIPPTZABA-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@H]2CC[C@H]21	2255551553	ZFOMAEYVYHDJBU-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ncncc1B(O)O	2255686337	PVUACTGRGNYMFQ-APPZFPTMSA-N	249.079	-0.925	50	10	BBGE	
CCC[C@@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2255690893	IZSLLXXCQVACSI-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1cncc(B(O)O)c1	2255716666	SRNNAOHKLUOPDB-WHGOUJPWSA-N	246.075	-0.710	50	10	BBGE	
C=CCC[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2255721801	GAHCKZISCJUBHT-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
Cc1cc(C#N)c[nH]c1=NC(=O)[C@H]1C[C@H]1B(O)O	2255772193	BKGIUNBKBBYNAI-DTWKUNHWSA-N	245.047	-0.515	50	10	BBGE	
Cc1cc(C(=O)NC2C[C@@H]3C[C@H]3C2)oc1B(O)O	2255787584	ZVFZPKQBQAHYFB-YUMQZZPRSA-N	249.075	-0.204	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)Nc1cn[nH]c1	2255890472	OVWLIJBSZOLJCU-UHFFFAOYSA-N	246.035	-0.267	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@@H]3CCO[C@@H]32)nc1	2298224385	AQGMXYDMJBGIGE-QXEWZRGKSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369645	AMWKBKXJJQQOCL-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
C#C[C@@H]1N(c2ncc(B(O)O)cn2)CC1(C)C	2299565070	PAGYEGXSGNGUSZ-VIFPVBQESA-N	231.064	-0.996	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	2302017697	IHTASXLMXOZUTQ-UTLUCORTSA-N	247.314	-0.203	50	10	BBGE	
Cn1nccc1CCN1CC[C@@](C)(B(O)O)C1	2303102094	QRAHPJBIRFVLSS-LLVKDONJSA-N	237.112	-0.099	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@H]32)C1	2303109471	RLFPVBACAGDIMA-SJQPAMGKSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](B(O)O)C1	2303124558	RYDMNSYRBAKYEL-RKDXNWHRSA-N	242.128	-0.162	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	2303426673	QFTDEKDOCHKWEG-UXCLJVHYSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](CO)Nc1cc(B(O)O)c(F)cn1	2303835693	AOXDIMWFDZAGOV-SECBINFHSA-N	242.059	-0.671	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306282508	CYNRNXLUGDPEMA-SSRBZLIGSA-N	241.335	-0.154	50	10	BBGE	
CC[C@@H](N)[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317152664	DTJZLMUHTOEZDM-LDYMZIIASA-N	248.091	-0.257	50	10	BBGE	
CC=C(C)C(=O)NCCc1ccc(B(O)O)cc1	2317684791	UORBGPFHSHKUBR-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
CNC=C(C#N)C(=O)NC[C@@H]1CCCO1	2324797556	GCHWOTDIFYHLGS-VIFPVBQESA-N	209.249	-0.092	50	10	BBGE	
NNC(=O)N1CCC(CC(N)=O)CC1	42440729	BXMNCQDVULXTIJ-UHFFFAOYSA-N	200.242	-0.843	50	10	BBGE	
CN(C)C[C@@H]1CCCN1CCC(=O)NN	82468617	RAGFTGMYBGSSFV-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COC[C@H](C)N(C)[C@@H](C)CC(=O)NN	82469599	FBXXPBWJAPWZQY-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
Cn1cc(CNC(=O)CBr)nn1	92082097	UWDVZSRTBPDJQS-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	104108751	WMBJVTCHNUPDHG-KXUCPTDWSA-N	240.307	-0.242	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCOC[C@H]1CCl	159438005	SLZJAASBKSLBTR-BDAKNGLRSA-N	249.694	-0.132	50	10	BBGE	
C[C@H]1OCC[C@@]1(O)CNC(=O)CCl	227128766	WSKSVSQNGLCZQA-HTRCEHHLSA-N	207.657	-0.119	50	10	BBGE	
C[C@H](CN1CC[C@@H](C)[C@@H]1CO)C(=O)NN	227214664	IIUOSYFDOWYNIY-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)[C@H](O)C1	227259972	BDCHKDGEUIWMTJ-QYNIQEEDSA-N	207.657	-0.575	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)CC(F)F	231592574	VTGYNJCAFSUTRN-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
C[C@@]1(O)CCN(CCCCC(=O)NN)C1	235416501	MJAOYGLIZBZONE-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
C/C(C/C=N/NC(N)=O)=N\NC(N)=O	238035764	KVMNIIPLSGXOPV-LQIBPGRFSA-N	200.202	-0.925	50	10	BBGE	
N=C(NN)NNC(=O)Nc1ccccc1	238653496	NXEGKRQDCSLAMG-UHFFFAOYSA-N	208.225	-0.289	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253175759	FMSVWGQSVMPOQB-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CCOC(=O)[C@@H]1C(C#N)=C(O)C(=O)N1C	260298939	VRAPZQBDAKNKBG-LURJTMIESA-N	210.189	-0.274	50	10	BBGE	
NNC(=O)c1cccnc1CO[C@@H]1CCOC1	302251682	AGBVUDQAUVUEOH-MRVPVSSYSA-N	237.259	-0.009	50	10	BBGE	
CO[C@@H]1O[C@H](CBr)[C@H](O)[C@H]1O	306432143	XDYMFLLJHRJOHK-JGWLITMVSA-N	227.054	-0.526	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@](C)(CN)C1	380809226	JHWRNFHDYBBNPQ-IQJOONFLSA-N	228.340	-0.328	50	10	BBGE	
Nc1cc2c(B(O)O)ccc(C(=O)O)c2s1	396239997	JRJCOAFBBDZXDO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[S@](=O)NCc1cccc(B(O)O)c1	405021688	HFWNCEGCHLQSNT-HNNXBMFYSA-N	227.094	-0.860	50	10	BBGE	
Cc1cc(NC(=O)CN(C)C)cc(B(O)O)c1	405031489	OHSOBMQDFUAMJE-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
NC(=O)Nc1cc(B(O)O)ccc1Cl	405184274	LUDIZNGQOORILS-UHFFFAOYSA-N	214.417	-0.490	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\c1cncc(O)c1	492322690	WTZRSRHXMVOLDU-IHWYPQMZSA-N	236.231	-0.239	50	10	BBGE	
C[C@@H](CNC(=O)OCCl)S(N)(=O)=O	692816936	CVVCTKQDPHXAOC-BYPYZUCNSA-N	230.673	-0.414	50	10	BBGE	
O=C(NCC1CC1)Nc1cc(B(O)O)ccn1	701043681	LXTQWUDHOOHIPS-UHFFFAOYSA-N	235.052	-0.707	50	10	BBGE	
N#Cc1cccc(/C=C\C(=O)NCB(O)O)c1	701964983	KIZCMXIGFABBQT-PLNGDYQASA-N	230.032	-0.300	50	10	BBGE	
CCOC[C@@H]1CN(CCCC(=O)NN)CCO1	705875419	HLWAISHZFBBFSQ-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(n2cncn2)C1	707171635	HKLPWHSIUZGYHT-QMMMGPOBSA-N	238.295	-0.707	50	10	BBGE	
OB(O)c1ccncc1OC[C@H]1CC1(F)F	714032474	IJTFIPVKJOLUFG-ZCFIWIBFSA-N	228.991	-0.205	50	10	BBGE	
CNC(=O)NN=C1CCC[C@@H]1S(C)(=O)=O	741461549	JWDYOONRISDQPL-ZETCQYMHSA-N	233.293	-0.132	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	817215156	HTOPDHFWRBQMMA-DJLDLDEBSA-N	242.275	-0.262	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	822562918	CYLDIENOHKWSJN-UUFBCVLASA-N	240.303	-0.246	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)[C@H]1CCCO1	908381005	SLGCFBJSXSSEKG-WGAMGKKUSA-N	228.248	-0.750	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@]1(C)CCN(C)C1=O	910138657	KCTVEEQTUDHFQV-GZMMTYOYSA-N	243.307	-0.801	50	10	BBGE	
N#Cc1ccc(NNC(=O)C[C@@H]2CC(=O)N2)nc1	1471768091	GDFVELYCXHRASB-QMMMGPOBSA-N	245.242	-0.325	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cn(C)nn2)co1	1538899375	IVUNMTLLANRXOL-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
Cc1cc(NNC(=O)[C@@H]2CCOC2)nc(N)n1	1558034089	OJWOHXZAMGZJSQ-SSDOTTSWSA-N	237.263	-0.153	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C[C@@H](O)CBr	1880273153	VNSQHSXPQMRKOH-VQVTYTSYSA-N	224.098	-0.193	50	10	BBGE	
COC(=O)c1cc(B(O)O)c(Cl)s1	1882335847	GBQAQAKXUOBNPN-UHFFFAOYSA-N	220.442	-0.132	50	10	BBGE	
CO[C@H](C)COCC1(C(=O)NN)CC1	1886076764	MTVOYBOQBMDUJS-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC([C@@H](O)CO)C1	1887281744	TUYJVWJZWSYUBT-FSPLSTOPSA-N	207.657	-0.575	50	10	BBGE	
CO[C@H](CN(C)CC(=O)NN)C(C)C	1887657866	QVLBTIYARCMNSA-MRVPVSSYSA-N	203.286	-0.421	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C(C)C	1892436567	ROBCGCLNADRPKR-UHFFFAOYSA-N	201.270	-0.116	50	10	BBGE	
CP(C)(=O)[C@@H]1CNC[C@@H](C(=O)NN)C1	1892580485	QRMZUEXOHYDLAM-BQBZGAKWSA-N	219.225	-0.423	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1893099751	QPIUQGVLJLTKAV-CSMHCCOUSA-N	219.716	-0.381	50	10	BBGE	
CN(NC(=O)c1ncccc1O)S(C)(=O)=O	1901340616	HTPBXICMNMBANF-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
C[C@H]1NCC[C@@H]1CC(=O)NN(C)S(C)(=O)=O	1901341781	ZTYBMZDWDBHIAA-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(Cn1ncc(C)cc1=O)B(O)O	1901720475	LSXAPJRQCOHUFI-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([S@@](C)=O)C1	1901766709	YRLQWUVFTZDNEX-ZKANADHPSA-N	247.364	-0.402	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@H]1CC[C@H]1C(=O)NN	1901981757	WDPQIUBWLMBENE-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@@H](O)C1)C(=O)NN	1902716536	UBJGHNQKTSQVSH-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CN1CCN(C2CC2)C1=O)C(=O)NN	1912252265	ANPCUQHGDSFXQB-ZETCQYMHSA-N	226.280	-0.488	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)C12CCC2	1914395594	FHVAOUBCUXFQHE-SECBINFHSA-N	227.308	-0.254	50	10	BBGE	
C[C@H](O)CN(CC(=O)NN)Cc1ccccc1	1914639123	NFZUZYYZGHAKPF-JTQLQIEISA-N	237.303	-0.141	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@H]1CCNC1=O	1916201601	FSBHXMYHAZIOLW-BQBZGAKWSA-N	201.657	-0.062	50	10	BBGE	
COCC1CN(CCC(C)(C)C(=O)NN)C1	1916281249	KHLNZJKEXYDXIE-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
COC[C@@]1(O)CCN(C(=O)CCl)C1	1931627655	KIALZRXNNFGHQZ-MRVPVSSYSA-N	207.657	-0.165	50	10	BBGE	
COC[C@@H](NC(=O)CCCl)C(N)=O	1932166941	XFQKZSOTUSRZTL-RXMQYKEDSA-N	208.645	-0.768	50	10	BBGE	
C[C@]1(O)CCCN(CC(F)(F)C(=O)NN)C1	1935943572	FKLNAPUEMLIWLU-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2COC[C@H]2C1	1936083770	JYXOJVCWAGULRK-IMSYWVGJSA-N	225.292	-0.809	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1936087367	BFTVPZZGVFYASY-LPEHRKFASA-N	226.324	-0.752	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@H]1C(F)(F)F	1937817226	WCGAZTZBGZWDBI-NTSWFWBYSA-N	241.213	-0.372	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@H](C2)C3(F)F)CC1	1938247166	PRRJGQKUZOGGBC-BQBZGAKWSA-N	231.246	-0.047	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081271	AQFMVXHLWPGOBM-CHWFTXMASA-N	241.335	-0.437	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H]1C(N)=O	1942614804	ARPMUAGISWVVKB-DJLDLDEBSA-N	242.323	-0.659	50	10	BBGE	
CC(C)N(C)CCOc1cncc(B(O)O)c1	1943943905	BSNGBGOZTDTMBB-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)C[C@@H]1COC	1944295247	HRDVVSOLFCEELV-BBBLOLIVSA-N	245.323	-0.794	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)C2(CC2)C1)C(=O)NN	1944604241	OYHNRQJBACRUAV-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@H](CC1=O)C2(F)F	1946720615	JIVLFBGISDKTHV-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
CC(C)(C)[C@H](OC[C@@H]1COCCO1)C(=O)NN	1948420967	QMGGYZOXXKCVAT-DTWKUNHWSA-N	246.307	-0.177	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CNCCOC2)CC1	1949252219	GIWTYNNBUSFFLG-LLVKDONJSA-N	239.319	-0.427	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1951321669	BMIYHVRKFOMZJD-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(C=O)CC1	1954211324	FUBMUTVBUWVGIF-MRVPVSSYSA-N	201.657	-0.109	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1955541093	NEUSUARMBVJHRE-VCQFTWBDSA-N	216.668	-0.457	50	10	BBGE	
O=C(OCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1955547976	FDFLHVWBPBNLAA-UCROKIRRSA-N	221.640	-0.255	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@H](C)C(=O)NN	1955920228	AVLRVIUKIQMSOF-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CN(C)C[C@H]1O	1957319029	RJEYWWPJXCOFMO-BIIVOSGPSA-N	220.700	-0.205	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)C(=O)NN)C1	1958955106	BVFRCKVVKIVDTR-RNFRBKRXSA-N	215.253	-0.950	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H]2C[C@H]21	1961509552	TVBDVXDZJJOCFA-PHDIDXHHSA-N	221.207	-0.915	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H]3C[C@@H]32)CC1	1961509858	WLKWZNRIRZGUFD-YUMQZZPRSA-N	211.265	-0.770	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1ccncc1B(O)O	1961777074	GRXHLAAMSGTGJD-GMSGAONNSA-N	206.054	-0.394	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1962476832	SCSJFOHGQAKDHM-IONNQARKSA-N	209.249	-0.623	50	10	BBGE	
O=C(NCc1cocn1)c1ccc(B(O)O)cc1	1969381993	XDKBJMITUPKQLX-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
Cn1nnnc1CNCC[C@@H]1COC[C@H]1Cl	1979873787	AUXVRLVWSUUCKZ-HTQZYQBOSA-N	245.714	-0.056	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H]1CF	1981143726	OEOABIUCCSBNQV-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
OB(O)c1cnccc1N1CCC2(CC2)C1	1981427484	VDNPBOQWLAZTSP-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
Cc1cnc(S[C@@H]2CCOC2)c(B(O)O)c1	1981450365	HJSICLSUMWZAGB-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
Cc1cc(N(C)C2CSC2)ncc1B(O)O	1981468773	IGIZXBQFGNLFSR-UHFFFAOYSA-N	238.121	-0.379	50	10	BBGE	
CSCCN(C)c1ncc(B(O)O)cc1C	1981469659	WMKJQXNVQMOAHB-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)O	1982103289	NOPZUKJAKIMULF-LXGUWJNJSA-N	227.264	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCOCC2)C1	1985356954	KIEZZJBYLSHVIE-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@@H](CC)C(=O)NN)C1	1990540953	WSOZLAQSJWUMPQ-GXSJLCMTSA-N	227.308	-0.232	50	10	BBGE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)C=CC(=O)Cl	1991650365	NAGYRXPWYSTXOI-MPSSQSJQSA-N	244.678	-0.461	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2OCCO[C@@H]2C1	1991653715	COJQXNSKKJPDAC-OCAPTIKFSA-N	245.662	-0.066	50	10	BBGE	
N[C@@]1(CO)CCCN(C(=O)/C=C/C(=O)Cl)C1	1991701622	JRTXUJKKSOWVOO-PBKGFPTLSA-N	246.694	-0.380	50	10	BBGE	
C=C(Cn1c2c(ccc1=O)CCC2)B(O)O	1992159565	MJERPDZCNJXPKV-UHFFFAOYSA-N	219.049	-0.095	50	10	BBGE	
C#CCN1CC[C@H](NC(=O)NC(=O)CCl)C1	1994297802	ZLZUSIBCYZAQFK-QMMMGPOBSA-N	243.694	-0.242	50	10	BBGE	
Cc1nc(CN(C)[C@H](C(=O)NN)C(C)C)no1	1997752373	MBTZVFDZKCHDJW-VIFPVBQESA-N	241.295	-0.176	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2004911487	HVEVJUZXYMRVMN-SREGZZRCSA-N	230.076	-0.394	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@]3(CCO3)C2)nc1	2004912305	RBBWYHMVYKINIX-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
CCN(CC)CCCO[C@H](COC)C(=O)NN	2007019657	DILLBSJZOXEAJE-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@]2(CC[C@H]2O)C1	2013326942	AXQPYHRARXZUHL-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@H]2CC[C@@H]21	2015989243	DNLBGOLFIHOCJT-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1=CCCOC1	2019210147	LZIZOQSOIZBGJB-UHFFFAOYSA-N	241.291	-0.568	50	10	BBGE	
CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2022428290	JTAJMLADDWTRHO-CSMHCCOUSA-N	243.068	-0.535	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@@H]3C[C@@]3(C)C2)n1	2050246064	YIZKRYRRMSMJMG-UFBFGSQYSA-N	249.318	-0.135	50	10	BBGE	
NNC(=O)c1cccc(CN2CCO[C@H]3C[C@H]32)n1	2051853710	LGHJGXWSXYBAMU-MNOVXSKESA-N	248.286	-0.342	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C[C@H]3C=C[C@H]2C3)n1	2052495152	WXJPHCMYNFGJOU-QXEWZRGKSA-N	246.075	-0.192	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2CCC[C@@H]21	2068484529	RUPJVPRCRJFFQQ-INTQDDNPSA-N	247.107	-0.219	50	10	BBGE	
Cc1cc(N2C[C@@H]3COCC[C@H]32)ncc1B(O)O	2073042955	KOMRLHLYWPFQIV-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
C=CCOC(=O)NCc1cc(B(O)O)cs1	2212133166	DFHFSTJFCQFAHE-UHFFFAOYSA-N	241.077	-0.160	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCC[C@H]32)nc1	2212601056	HYMFAGFUUYLAQH-JZYVYDRUSA-N	218.065	-0.028	50	10	BBGE	
COCCCCN=c1cc(B(O)O)cc[nH]1	2212610912	RAUNMGHZKDMVAK-UHFFFAOYSA-N	224.069	-0.978	50	10	BBGE	
CN1CCC[C@H](COC[C@@H]2C[C@@H]2C(=O)NN)C1	2214887542	XVRGOYWUVAKZIA-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cnc([N+](=O)[O-])n1	2215770562	CMBRYRKDSWDLFB-WDSKDSINSA-N	240.223	-0.798	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H]1[C@H]2CO	2215772919	QYSFJYWAYSROGK-APLZJWDSSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@H]1CC[C@H]1C(=O)NN	2215776778	OVQPIQWELQPAKK-IWSPIJDZSA-N	242.323	-0.802	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2216251288	DRGRXJQXBIXWJX-CHWFTXMASA-N	241.335	-0.011	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@H]2N)cc1B(O)O	2217179720	NNCISVRSZFBJBE-NXEZZACHSA-N	235.096	-0.638	50	10	BBGE	
COC[C@@H](CF)Nc1nccc(B(O)O)c1F	2217179979	PSSDCWXFLIDOCV-ZCFIWIBFSA-N	246.022	-0.703	50	10	BBGE	
CCOCCCN=c1[nH]ccc(B(O)O)c1F	2217181946	XIBLKDNUCXCSIP-UHFFFAOYSA-N	242.059	-0.839	50	10	BBGE	
CC1(Nc2ncc(B(O)O)cn2)CCOCC1	2217200557	LLONEALNGQCIBV-UHFFFAOYSA-N	237.068	-0.863	50	10	BBGE	
Cc1ccoc1CNc1ncc(B(O)O)cn1	2217201611	ZDRCDNHEAUFEBJ-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCNCC12CC2	2223627280	LSPXQJRKRPBUTB-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
CCCn1ccc(=Nc2ncccc2B(O)O)[nH]1	2223671872	BNNNHKYGVBNTOO-UHFFFAOYSA-N	246.079	-0.467	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)CC1	2223675055	PDSAQIVUPJCDMD-WDEREUQCSA-N	249.123	-0.167	50	10	BBGE	
CC1(C)C[C@H](N)CCN1c1ccc(B(O)O)cn1	2223679012	KTPHDWZVKUVAOS-SNVBAGLBSA-N	249.123	-0.533	50	10	BBGE	
Cc1ccnc(CNc2ncccc2B(O)O)n1	2223679411	PICJJKXRKXDUGJ-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
NNC(=O)C1(CN2CC[C@]3(O)C[C@H]3C2)CC1	2242811742	YAUGJNWULFJNEC-KWQFWETISA-N	225.292	-0.787	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1[C@H]2CCCCC[C@H]21	2243348915	BXYCSYPZACMNPE-DOFRTFSJSA-N	221.065	-0.303	50	10	BBGE	
O=C(NC1CCC1)c1ccncc1B(O)O	2243349803	QTRFBLRAMWVFII-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@@H](C)CO1	2243364460	XJWYRPRQQSZNLW-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
CCCOCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381133	CJPYMRRLWFYZBT-DTORHVGOSA-N	229.085	-0.218	50	10	BBGE	
C[C@@H](CCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382298	NCUOZWZXZSKHRT-XHNCKOQMSA-N	229.085	-0.626	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243390939	DIKFNHYWZVEBAB-XHNCKOQMSA-N	226.085	-0.988	50	10	BBGE	
CC(C)N(CC(C)(C)O)C(=O)C#CB(O)O	2243401934	ZIULINCMKKZUJJ-UHFFFAOYSA-N	227.069	-0.990	50	10	BBGE	
NC[C@@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2243409639	MCTSYWWJDBRUJM-MRVPVSSYSA-N	226.085	-0.763	50	10	BBGE	
C[C@H](O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415077	NUTRIJGSFHFDPW-XHNCKOQMSA-N	229.085	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC(=CC)C1)B(O)O	2243420155	NJYUPQUGLRIFFF-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
CCCN1CCN(C(=O)C2(B(O)O)CC2)CC1	2247753199	CSLLWJHSWLBZOZ-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCNC1	2247787808	VCRVHCZTEPQDNZ-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H](C)NC(=O)c1ncc(C)cc1B(O)O	2247792496	SVZUNWRPXYTVOM-QMMMGPOBSA-N	236.080	-0.402	50	10	BBGE	
CO[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1F	2247800992	VWANVMTVRKQLSV-PEBLOWIWSA-N	245.059	-0.565	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCCN1	2247804593	HVOCBOOYOCABTR-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247807974	SKSUOZZGGUFXGN-XKNYDFJKSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1NC2)[C@@H]1C[C@@H]1B(O)O	2247808908	NEBTUVZEVZDCNF-HOTMZDKISA-N	238.096	-0.894	50	10	BBGE	
CN(C[C@@H]1CCC[C@H](F)C1)C(=O)C#CB(O)O	2247841054	DOLHXYAMJFBUHQ-ZJUUUORDSA-N	241.071	-0.012	50	10	BBGE	
CC#CCNC(=O)c1ccc(F)c(B(O)O)c1	2247868770	YHXWAVWAINDISZ-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H](C)CF	2247875442	YPXQRPNTXFJEOQ-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247879695	XEPRHINSXCAYCS-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCC[C@H]21)C1CC(B(O)O)C1	2247892592	DEEZJBPDIMJGDX-PGQYJIMISA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247897108	OAMPFCQIFNFHJD-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C2CCC1(CO)CC2	2247897617	VJIGPPUSECRQGV-VCZAYRLQSA-N	239.080	-0.635	50	10	BBGE	
O=C(NC[C@@H]1CCNC12CC2)[C@H]1C[C@H]1B(O)O	2247899236	LQXUUSUGUTYXOL-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
NC1[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247911492	WEOGLBRPRGQGCF-XSPKLOCKSA-N	238.096	-0.955	50	10	BBGE	
C=C1CCN(C(=O)c2cocc2B(O)O)CC1	2249429923	HUFLMXOCBCEBGA-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CCC(CC)ONC(=O)c1ccc(B(O)O)o1	2250123983	KTKPPIWSTOAVEU-UHFFFAOYSA-N	241.052	-0.191	50	10	BBGE	
N#CC1=CCN(C[C@@H]2COCC3(CNC3)O2)CC1	2253729469	GCEDGVCFILVGKQ-GFCCVEGCSA-N	249.314	-0.101	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cnccn1	2254030847	QSZCQYFGTIXRPO-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccncc1B(O)O)C(C)C	2255444710	OIMLNCYDDLGZSU-LLVKDONJSA-N	246.075	-0.851	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)oc1C)C1CC1	2255451836	AGONTUPUCGCWKK-JTQLQIEISA-N	247.059	-0.591	50	10	BBGE	
C=CC[C@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2255477369	YPUVNBIPRXZQAH-JTQLQIEISA-N	248.091	-0.125	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC[C@H](C2)C1	2255477391	ZCYLSXBZZICRSN-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(B(O)O)cn1	2255520112	GUTUWWFDZGKRKI-DTWKUNHWSA-N	248.091	-0.511	50	10	BBGE	
O=C(N[C@@]12CCCC[C@H]1C2)c1n[nH]cc1B(O)O	2255547764	PDKLAFRVLOQDJL-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
CC1=CCCC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2255547977	QJCKPZLYQHQAOY-SECBINFHSA-N	249.079	-0.682	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1C[C@@H]2C[C@H]2C1	2255691674	GUNFAOLAUALQTN-YUMQZZPRSA-N	249.050	-0.403	50	10	BBGE	
O=C(c1ncncc1B(O)O)N1CCCCCC1	2255730443	MHJBJFIOWULJSR-UHFFFAOYSA-N	249.079	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2258136129	JICXRADXWZBNKG-DOWZNPNQSA-N	249.075	-0.266	50	10	BBGE	
O=C(N1CCc2cccnc2C1)C1(B(O)O)CC1	2261372003	XWICNMHKAVEANG-UHFFFAOYSA-N	246.075	-0.027	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	2297953739	WUOFISHEBNFDLX-SGIHWFKDSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@@H](CO)C[C@H]2CCCC[C@H]21	2298232452	CDWGTWRCHKTLSX-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@@H]2O	2298376040	FEOMOESCGJGZGB-SPFKKGSWSA-N	239.080	-0.779	50	10	BBGE	
COC[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376397	UXZXVNUXEPGKJB-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	2298460751	PAIFLBQLTKVYHT-OUAUKWLOSA-N	233.076	-0.280	50	10	BBGE	
CC(=CCN=c1ccc(B(O)O)c[nH]1)C1CC1	2300050802	WTEUWQUWXHOWNY-UHFFFAOYSA-N	232.092	-0.049	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2302022802	DBCJNHXFBQSKBJ-HRDYMLBCSA-N	243.112	-0.239	50	10	BBGE	
COCCN(CCO)[C@@H](C)CCCC(=O)NN	2302061171	QTDZBXDIHIVCQU-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
CN1C[C@H](CN2CC[C@](C)(B(O)O)C2)CC1=O	2303160320	UUTHSWDMDICTAT-KOLCDFICSA-N	240.112	-0.597	50	10	BBGE	
CC[C@](C)(CN1CC2(CN(C)C2)C1)C(=O)NN	2303426682	QLFPKYSELUJBFT-LLVKDONJSA-N	240.351	-0.360	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2c1ncccc1B(O)O	2312614194	ZUVFBUVGRRXRFR-ATZCPNFKSA-N	247.107	-0.923	50	10	BBGE	
C[C@@]1(C2CC2)NC(=O)N(NC(=O)CCl)C1=O	40166089	NWVJYKXHAYZTIG-VIFPVBQESA-N	245.666	-0.023	50	10	BBGE	
CC(C)(CS(=O)(=O)N1CCCC1)C(=O)NN	41303652	JVMICDYTQDXDBE-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCN(C)C1)C(=O)NN	82468780	JONUGBYJGWGXIN-NXEZZACHSA-N	228.340	-0.504	50	10	BBGE	
CCO[C@@H]1CCCN(CCC(=O)NN)C1	82470901	JHIULOLZYWFXDZ-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCN1CCN(CCC(=O)NN)C[C@@H]1C	82485323	MOCMUGROWVBSFN-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(F)cn1	130226920	UOAAIPKRNFPUSJ-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNCC1	147242065	FZAYQCOLKMSJFP-MRVPVSSYSA-N	200.286	-0.950	50	10	BBGE	
CS(=O)(=O)N1CCOC[C@@H]1CCl	159500764	BRBMFVSYRMQHDK-LURJTMIESA-N	213.686	-0.114	50	10	BBGE	
OB(O)C1=CC[C@H](N2CCOCC2)CC1	211550231	XDANBBIORJLSBJ-JTQLQIEISA-N	211.070	-0.191	50	10	BBGE	
C[C@@H]1CC[C@H](COc2cncc(B(O)O)c2)O1	232013288	KMLLWZGGWZASMJ-PSASIEDQSA-N	237.064	-0.292	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@](C)(C(N)=O)C1	233294089	RHIWKDPPBYXELN-LDYMZIIASA-N	242.323	-0.658	50	10	BBGE	
COc1nc(C(F)F)ccc1B(O)O	238367265	MHDKJWLECQKLTQ-UHFFFAOYSA-N	202.953	-0.292	50	10	BBGE	
COc1nc(N)c(SC#N)c(=O)n1C	238391244	NQFABSZQQWRHJQ-UHFFFAOYSA-N	212.234	-0.056	50	10	BBGE	
N#CC1=CN=C(N2CCNCC2)S1(=O)=O	259919399	CEBPNSIGOGCQNA-UHFFFAOYSA-N	226.261	-0.959	50	10	BBGE	
COC(=O)[C@H](Br)CNC1COC1	300012495	ZOXIQORKCUCNRH-ZCFIWIBFSA-N	238.081	-0.089	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](C)(CO)C1	307142967	FYDMNVVEVWRIKF-VXNVDRBHSA-N	201.270	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC1CC1	308888070	WMNIRNGLGJKPSR-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
N#Cc1cc(N2CCCC2)ccc1B(O)O	309515308	UICJQVKYEALPBB-UHFFFAOYSA-N	216.049	-0.162	50	10	BBGE	
Cc1ccc(Cn2cccnc2=O)cc1B(O)O	314256537	UXMVNMBTCGCIDO-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1cnn(C)n1	379907052	KNRAKTZTWSXNID-LURJTMIESA-N	232.671	-0.201	50	10	BBGE	
CNC(=O)CC1CN([C@@H](C(=O)NN)C(C)C)C1	382306185	ZDVFTPWKJNJFMQ-SNVBAGLBSA-N	242.323	-0.931	50	10	BBGE	
CCNC(=O)[C@@H]1CCCC1=NNC(N)=O	394720852	KEPUJQLFRTZQIG-ZCFIWIBFSA-N	212.253	-0.053	50	10	BBGE	
CCOc1nc2cc(B(O)O)ccc2o1	396116678	JPKVHOMYQQAYKK-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)cc(C(=O)O)c1	396132390	KCLDNSXFBXKZNG-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
N#Cc1csc2c(B(O)O)c(CO)ccc12	396219309	KRYKMTFJRRTAET-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1O	399902465	LAAVZAQKNBJSSH-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC(F)(F)C1	404779247	BLEBTCFXFLWHPF-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
COC(C)(C)C(=O)Nc1cc(B(O)O)ccn1	404999103	JTYJTBDGNSPMKE-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
C[C@H]1CCN(C(=O)N2CC[C@@H](B(O)O)C2)C1	585056554	QPWXGRFTGIDCMM-DTWKUNHWSA-N	226.085	-0.003	50	10	BBGE	
NNC(=O)c1ccc(OCCn2ccnn2)cc1	699012434	HKALWWJFRUTLRJ-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
COc1cncc(CN(C)C(=O)C(=O)NN)c1	700116898	LLFLIRHCVVCDSR-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
NC(=O)NNC(=O)c1cn2ccccc2n1	700878495	DSQSUCJULPHXPW-UHFFFAOYSA-N	219.204	-0.353	50	10	BBGE	
O=C(NCB(O)O)C(F)(F)C(F)(F)F	701938411	LIYXCFPCQYBXCR-UHFFFAOYSA-N	220.890	-0.688	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703507667	CUPTZPLRFYNVCC-XAVMHZPKSA-N	242.323	-0.803	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)C[C@H]1C	706207425	ONRXRHZNKNVWST-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@]1(C)CO	723023893	RMBYEBXHMKXBQE-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
Cc1nc(C2CC2)oc1C(=O)NNC(=O)CO	760420606	ADIAMAAGILCTNI-UHFFFAOYSA-N	239.231	-0.386	50	10	BBGE	
O=C(NNC(=O)c1nccs1)c1cnn[nH]1	770434951	NJQKUDXTCDEPHB-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
CC[C@@H](NC(C)=O)C(=O)NNC(=O)NC(C)C	865041840	HJVQSGQWNBTHMI-MRVPVSSYSA-N	244.295	-0.360	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1OC	930791644	QXEGLZOPNBLVRN-RNFRBKRXSA-N	215.253	-0.238	50	10	BBGE	
C[C@@H](CO)CN1C[C@H](Cl)C(=O)NC1=O	952999651	ULKCWMMLRTVRPT-RITPCOANSA-N	220.656	-0.226	50	10	BBGE	
O=S(=O)(CCl)N1CCn2ncnc2C1	1260927399	FEEVCKSVJGHXOA-UHFFFAOYSA-N	236.684	-0.380	50	10	BBGE	
O=C(CC1COC1)NNC(=O)c1cnsn1	1262195651	HPIYFUYTJJSHPM-UHFFFAOYSA-N	242.260	-0.664	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)NC1CC1	1625702810	DKLDZVJQSKBYCC-UHFFFAOYSA-N	221.220	-0.417	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@@H]1C[C@@H]1Br	1877359744	NNEJPYWMDIKZRL-RITPCOANSA-N	249.108	-0.780	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@@H]1C[C@H]1Br	1877423004	LVVZMZMXZJXNCY-PHDIDXHHSA-N	249.108	-0.780	50	10	BBGE	
CN(N)C(=O)CN(CCO)C(=O)OC(C)(C)C	1880022444	CUEIKBYBOMPXOE-UHFFFAOYSA-N	247.295	-0.452	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@H]1C[C@@H]1Br	1883528787	BPISNAZMBGRMHM-UHNVWZDZSA-N	246.112	-0.155	50	10	BBGE	
O=C(O)CNC(=O)NC[C@H]1C[C@@H]1Cl	1883568215	UURDUWJVYZCDMD-UHNVWZDZSA-N	206.629	-0.003	50	10	BBGE	
NNC(=O)COCCO[C@H]1CC1(F)F	1885983296	FEFQWSVMVHCHBH-YFKPBYRVSA-N	210.180	-0.583	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)C[C@@H]1CO	1886211593	LJGHCYLQCLMHCR-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
N[C@H](C(=O)NC[C@@H]1C[C@H]1Cl)C1COC1	1893128113	MRHQQGIUVFUTAD-ARDNSNSESA-N	218.684	-0.296	50	10	BBGE	
C[C@@H]1SCCN([C@H](C)CC(=O)NN)C1=O	1893845699	LCCQONXASHSZKI-RQJHMYQMSA-N	231.321	-0.281	50	10	BBGE	
C[C@]1(O)CCN(C[C@@H](Cl)C#N)C[C@H]1O	1894992862	TURDENJJOGZHLO-YIZRAAEISA-N	218.684	-0.065	50	10	BBGE	
C=C(CN(C)CC[C@H](C)OC)B(O)O	1895149300	PMCNLEMDPKUIOZ-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	1899869448	CAGUQVDUHCQICZ-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
COCCNc1ccc(B(O)O)cc1C#N	1901202667	KMQNJJOHJAWFSI-UHFFFAOYSA-N	220.037	-0.704	50	10	BBGE	
C[C@@H](N)CC(=O)NN(C)S(=O)(=O)C1CCC1	1901341083	OUJSQKKNCDZTDE-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
CN(NC(=O)[C@@H]1CC[C@H]1N)S(=O)(=O)C1CC1	1901343626	YMEIAXHJVWJQNE-HTQZYQBOSA-N	247.320	-0.821	50	10	BBGE	
CN(NC(=O)CC[C@H]1C[C@H](N)C1)S(C)(=O)=O	1901344807	WRQHFAYQFFGBHI-ZKCHVHJHSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H]1CCC[C@@]1(N)C(=O)NN(C)S(C)(=O)=O	1901378290	YTKCXGXYLQHJCT-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)CC1(N)CC1	1901378327	YXPZAPWIEATROT-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C)CCCC(=O)NN)C1	1901767859	YVRGBBBTYOWJLL-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H]1C[C@@H](O)CN1	1901997560	NDBZZWUEHRNQIV-ZJUUUORDSA-N	229.324	-0.138	50	10	BBGE	
CC(C)[C@H](CO)N(C)CC1(C(=O)NN)CC1	1902088866	WKFPUFWHBUPDTF-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
CCOC1(C(=O)N2CC[C@H](B(O)O)C2)CC1	1902514808	YEQHZHFUSQHZQS-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
OB(O)[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1	1902544602	CSURBJBZQQBTEQ-HTQZYQBOSA-N	235.039	-0.041	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@H]2Cl)[nH]cc1F	1903009104	DDVFUTSPZDBYFB-IYSWYEEDSA-N	244.462	-0.638	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CSC2	1914569486	CIENZJREYZIOFR-CIUDSAMLSA-N	245.348	-0.429	50	10	BBGE	
CCCN(C[C@H]1C[C@@H]1C(=O)NN)OC	1928675096	JTRBQMLJJZAWIZ-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
O=C(CCn1cnnn1)NC1(CCl)CC1	1928689591	YCROMMJVDVSQPA-UHFFFAOYSA-N	229.671	-0.049	50	10	BBGE	
CC(C)C(NC(=O)C(=O)NN)C(C)C	1928844752	LYFZQWUYPNCISZ-UHFFFAOYSA-N	201.270	-0.227	50	10	BBGE	
OCC1[C@@H]2CN(C[C@H](O)CCl)C[C@@H]12	1929054851	NXKCBZOCDLZVDR-BWZBUEFSSA-N	205.685	-0.244	50	10	BBGE	
O=C(CCl)N1CC[C@@H]2CS(=O)(=O)C[C@@H]21	1931357632	MMPZUYSLLBINSH-RQJHMYQMSA-N	237.708	-0.129	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)S1	1931585689	RQHOIIDEUVYNAD-RQJHMYQMSA-N	231.321	-0.281	50	10	BBGE	
C#CCN(CCCl)C(=O)Cn1cncn1	1933494800	PGUBDQRICOHBQP-UHFFFAOYSA-N	226.667	-0.021	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)C(=O)C1	1935927371	ZSFNONODCMDWCU-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
Cc1ccc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)n1	1936084007	SMDRTWUCCIMTEI-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
CON(C)C1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1936110832	SKADYTPRRIUWAF-SFYZADRCSA-N	230.312	-0.822	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)CC1(C)C	1937790641	HXUOXLOLLGZGOQ-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2CC[C@@]1(CO)C2	1942115906	QJABIJNRZBXYGP-WYFGTUCQSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nnc2n1CCC2	1943113234	LIVKWNRTJPQGOL-ZETCQYMHSA-N	238.295	-0.966	50	10	BBGE	
O=C(NNCCO)c1cccc2nccnc12	1944215631	KUESEIJFVSLIIR-UHFFFAOYSA-N	232.243	-0.144	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(=O)NC(C)(C)C1	1945293089	JELBTCIVXAVSNR-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1950220052	IUQZZFOAGNDAFG-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
Cn1ccc(CN2CCC(B(O)O)CC2)n1	1951322122	UQIULWRFSQBJGZ-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
O=C(N[C@H]1C[C@H]1CCl)[C@@H]1CCS1(=O)=O	1955099075	AZJACJGSLZZAKP-ACZMJKKPSA-N	237.708	-0.083	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1961544758	HJVSJYNQAGKPSS-ZETCQYMHSA-N	211.265	-0.233	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C)C1	1961717641	DCKWWEFNNUEARL-UHFFFAOYSA-N	206.054	-0.474	50	10	BBGE	
COCC(O)(CNC(=O)[C@@H](C)Cl)COC	1974684836	OQFQMEWCBJILQZ-SSDOTTSWSA-N	239.699	-0.246	50	10	BBGE	
CCN(Cc1nc(C)no1)[C@@H](C)C(=O)NN	1976743479	AZSNMESFAPTUTQ-LURJTMIESA-N	227.268	-0.422	50	10	BBGE	
N#CC1CN(Cc2nsc(C(=O)NN)n2)C1	1978699925	VNQSUDIYMDSJNP-UHFFFAOYSA-N	238.276	-0.903	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)CC[C@H]1CO	1978944287	JGFKVPYKEAADOU-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@H](C)N(C)c1ncncc1B(O)O	1981413038	AMKBEBLPVLOPNY-QMMMGPOBSA-N	223.085	-0.219	50	10	BBGE	
CC12CC(CN1c1ccc(B(O)O)cn1)C2	1981415834	IZHQPGZVSBDBDB-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cnc(N2CC3CC2C3)c(F)c1	1981473418	YQEWVBWMGZRCRD-UHFFFAOYSA-N	222.028	-0.501	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)[C@@H](C)C(=O)NN	1990040622	GQRDQDNKWMRBEL-KATARQTJSA-N	229.324	-0.154	50	10	BBGE	
CCN(C[C@H]1CCC[C@@H](C(=O)NN)O1)OC	1990164178	JESNDZJYQAFJRI-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC(F)F)C1COC1	1991227708	QPMQGTMNJYTFTD-ZETCQYMHSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)COCCO[C@H]1COCC1(F)F	1991604574	RLMVAYIUKDGDEK-LURJTMIESA-N	240.206	-0.956	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@@H]2COC[C@H]21	1991647945	JSMRZVUZADUWPZ-PRJMDXOYSA-N	245.662	-0.474	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCCC1(CO)CO	1991649484	CLPWCBQSWXOEHU-UHFFFAOYSA-N	247.678	-0.346	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)[C@H]1C[C@H]1Cl	1991678355	QEOCQPMOVOAPQC-CSUKJFKESA-N	245.706	-0.140	50	10	BBGE	
C=C(CN1CCN2CCCC[C@H]2C1)B(O)O	1992154194	WCARQYMIDMROIJ-NSHDSACASA-N	224.113	-0.275	50	10	BBGE	
C=C(CN1CC[C@@]2(CCN(C)C2)C1)B(O)O	1992154484	ZEWZHASCHFITQR-LLVKDONJSA-N	224.113	-0.418	50	10	BBGE	
CP(C)(=O)CN1CCN(CC(=O)NN)CC1	1994649746	JYMZZGMXIVRARH-UHFFFAOYSA-N	248.267	-0.826	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CCNCC2)CC1	1997783825	WNPUDYAMKCBURX-UHFFFAOYSA-N	238.291	-0.638	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@H]21	2000718185	UYRPUDAQJBJQLQ-VPOLOUISSA-N	241.335	-0.010	50	10	BBGE	
CN(CCCC(=O)NN)CCCn1cncn1	2003825938	QANMJCHGQGRYFK-UHFFFAOYSA-N	240.311	-0.630	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CN(C)CC[C@@H]21	2004168482	GOCRLPFHYUTMDU-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1ccc(N2CCOC3(CC3)C2)nc1	2004917284	ANANOLDOMRIAOC-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
Cc1nc(N(C)CC(F)(F)F)ncc1B(O)O	2004975291	WVXMZKAJVIELPQ-UHFFFAOYSA-N	249.001	-0.537	50	10	BBGE	
CCc1nccn1-c1nc(C)ncc1B(O)O	2005007382	FTKNDEIKWGSDMC-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3C[C@H]32)c(F)c1	2005015796	FUGOZBCUKAYUTK-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC2(CC(O)C2)C1	2005808925	QPICLGHANAZEBI-ZSWLNHAKSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]1CCN(CCOCC(=O)NN)C[C@]1(C)O	2017233300	DBXUKONAXUUDRS-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
COC[C@H](OC[C@H]1C[C@]12CCOC2)C(=O)NN	2021278254	YIMCFOCSKQUZQN-YWVKMMECSA-N	244.291	-0.566	50	10	BBGE	
CO[C@@H]1CCN(C[C@H](C)C(=O)NN)C[C@H]1OC	2022124433	QLVQANGZGZCBDH-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@H]3C[C@H]3C2=O)c1	2027483362	RBFNYOOOIQEDDZ-NXEZZACHSA-N	246.270	-0.337	50	10	BBGE	
C[C@@H](c1ccco1)N(C)c1ncc(B(O)O)cn1	2052472974	PFDYUIHQVWARCZ-QMMMGPOBSA-N	247.063	-0.053	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3CCO[C@@H]3C2)c1B(O)O	2052473866	XVSISPIQFXAVGD-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
CN(Cc1cccnc1)c1ncccc1B(O)O	2052490148	ADRQEVAWPWDLIO-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@]2(CCOC2)C1	2052492573	UHUWEUFLQYQXNC-LBPRGKRZSA-N	248.091	-0.622	50	10	BBGE	
Cc1cc(N2CC[C@]23CCOC3)ncc1B(O)O	2052626696	FEQFWVHAEYIFJM-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(B(O)O)c1C=O	2060034349	KJENDYABSCDLJF-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
CCOc1c(C#N)ccc(B(O)O)c1F	2060168147	GHWQFCAUASJWCL-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccccc1B(O)O	2079007829	AALFVNNCGJXRMF-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
C[C@H](OC[C@@H]1CCN(C)C1)C(=O)NN	2209887149	SKAGMJRDVYTKJE-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](O)[C@@H](O)C[C@H]2C1	2211734579	RBMYURFOTQZUSG-HHKYUTTNSA-N	249.738	-0.350	50	10	BBGE	
CC(C)(CN)CNc1cc(B(O)O)ccn1	2212610304	GOQIWYBJFDRSPG-UHFFFAOYSA-N	223.085	-0.842	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1ccc([N+](=O)[O-])n1	2215770168	AIBHCFHETYMEPB-RQJHMYQMSA-N	239.235	-0.193	50	10	BBGE	
C[C@H]1[C@@H](O)CN1CC1(C(=O)NN)CCCCC1	2216873579	YLWIILHYRRMKOS-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CCCNCCOc1cc(B(O)O)c(C)cn1	2217165663	ARKAJWJCVHUWOZ-UHFFFAOYSA-N	238.096	-0.552	50	10	BBGE	
Cc1cnc(O[C@H]2CCC[C@@H]2N)cc1B(O)O	2217168762	XRODUZIYQUXMDY-UWVGGRQHSA-N	236.080	-0.672	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)c(C)cn1)[C@H](C)N	2217174746	YCADKYIGYIQXRJ-WPRPVWTQSA-N	238.096	-0.426	50	10	BBGE	
N[C@@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)C1	2217175164	FLEIFLZCIFZGIP-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](F)C[C@H](F)C2)c1	2217178965	CZNYEFCCRFAJPO-IUCAKERBSA-N	242.034	-0.352	50	10	BBGE	
C#CCN(CCF)c1cc(B(O)O)c(C)cn1	2217179343	JOPGMBWVFKSVBX-UHFFFAOYSA-N	236.055	-0.521	50	10	BBGE	
CCN1CC(Nc2cc(B(O)O)c(C)cn2)C1	2217179957	PHBALNHSMKCQSZ-UHFFFAOYSA-N	235.096	-0.814	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1nccc(B(O)O)c1F	2217181471	QGVDHILDKRJLMV-BQBZGAKWSA-N	242.059	-0.528	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1	2217201188	OSARNAFTTKQWFO-GRHPYMLUSA-N	230.076	-0.172	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2217202326	JPFKJUWKRAZUBF-WPRPVWTQSA-N	235.096	-0.699	50	10	BBGE	
CC1(C)NCCC[C@@H]1Nc1cc(B(O)O)ccn1	2223634409	KKBCFKWFQUHNEO-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
NCC1CC2(CCN2c2ncccc2B(O)O)C1	2223635266	UYBNXDIINZLLPG-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1ccnc(NC2CC3(CCOC3)C2)c1	2223644302	HORZCAIZGKBJMM-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1ccnc(N2CCC23CCOCC3)c1	2223669055	FPMLRMZLHCZRGU-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1C(=O)NNC(N)=O	2241600665	TWWHURBWJZGTIB-SVGQVSJJSA-N	201.226	-0.642	50	10	BBGE	
NNC(=O)CCCCN1CC[C@]2(O)C[C@@H]2C1	2242834223	QLDRMCTZCDEOLV-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C#CB(O)O	2243356740	MIPAJTBOAGJWNN-XFWSIPNHSA-N	221.065	-0.590	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1occc1B(O)O	2243365367	LPOBMRUENVHHOV-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CN1	2243365981	VQSTZJZFXXKUHV-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)ncn1	2243396685	PNSQVUPTCRPUOF-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@H]2C[C@H]21	2243397809	JOHBQXRKRJBRQD-CAHLUQPWSA-N	238.077	-0.943	50	10	BBGE	
CC1(C)CN(C(=O)c2ccc(B(O)O)o2)C1	2243404108	JGKWSUCTHAQSGY-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
C=C(Cl)CNC(=O)c1cc(B(O)O)oc1C	2243408223	JKQKTVLXKMRZPG-UHFFFAOYSA-N	243.455	-0.250	50	10	BBGE	
C[C@@H]1CCN[C@H]1CNC(=O)C1(B(O)O)CC1	2243411318	RIBILVQFDXZBJS-SFYZADRCSA-N	226.085	-0.892	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247735370	MEDMLAKZIVWDRJ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccc(B(O)O)o1	2247737877	LHGFXWXTFIIYEQ-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
O=C(N[C@H]1CC12CC(O)C2)C1(B(O)O)CCC1	2247738576	SBLALSZQNWQYRG-ZCUBBSJVSA-N	239.080	-0.587	50	10	BBGE	
CC12CC(C1)N(C(=O)c1coc(B(O)O)c1)C2	2247738761	VJDGNPBMCOYKOE-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
O=C(C#CB(O)O)NC1(CCC(F)(F)F)CC1	2247740614	NCNZLZMWVFSJRA-UHFFFAOYSA-N	248.997	-0.007	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)[C@H]1C[C@H]1C	2247740814	QBIFSRLENGCUOY-CSMHCCOUSA-N	237.064	-0.266	50	10	BBGE	
C#Cc1ccccc1CNC(=O)C#CB(O)O	2247744521	UIZWAOMOLHJYMQ-UHFFFAOYSA-N	227.028	-0.701	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)C[C@@H](C)C1(F)F	2247746873	FOSLDBOLIYVUCT-HTQZYQBOSA-N	245.034	-0.249	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@@H]2C)n1	2247754103	DZNXXMRPOMKIIM-IMTBSYHQSA-N	234.064	-0.792	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)C1(B(O)O)CCC1	2247754524	MLJWDGFTXQDEEF-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CCC[C@H](C)N(C)C(=O)c1c[nH]nc1B(O)O	2247782247	SLJPWXVJFTVQSR-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787372	OHYQUNJHTGNFSG-AATLWQCWSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247859010	JJWZSRMMMDHCRL-KATARQTJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ncccc1B(O)O	2247866774	RWNORYIYGVKMAZ-CPCISQLKSA-N	234.064	-0.710	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ccoc1B(O)O	2247869464	RZNFFORBDZKJFS-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247878979	OSVXRTDIFLCVCX-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)C1(B(O)O)CCC1	2247878991	OVEBCGKJMVHFBO-DTORHVGOSA-N	241.096	-0.197	50	10	BBGE	
CC(C)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1COC1	2247887255	MENBTRYEHTYWAC-ZJUUUORDSA-N	241.096	-0.267	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(C)c(B(O)O)o1	2247891771	NOVKOPSPGONZQP-MRVPVSSYSA-N	233.032	-0.884	50	10	BBGE	
Cc1cnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cn1	2247893265	OWPTVLKKUXTUNY-OCAPTIKFSA-N	235.052	-0.023	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]2(CCNC2)C1	2247899699	PLHWWGJRSHEIPK-YWVKMMECSA-N	238.096	-0.939	50	10	BBGE	
CC(C)(C)[C@H](CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247900094	SWZHDPUHHONWCM-YIZRAAEISA-N	243.112	-0.380	50	10	BBGE	
C=C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247903789	MTTXYPINCKWZMY-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
C#CCN(CC#CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910939	SIIHFJCJSXSPTH-PHIMTYICSA-N	233.076	-0.276	50	10	BBGE	
CCCN(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248588518	DKELLRSDFVBXHX-SFYZADRCSA-N	243.068	-0.437	50	10	BBGE	
C[C@H](C=CC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248594774	YZDCFGVKQDXDKI-PRJMDXOYSA-N	241.052	-0.615	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cc(B(O)O)co1	2249441535	ZFPDYSHSXVAODV-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
CON(CC1CC1)c1ncc(F)cc1B(O)O	2251019958	ICTHHOGEBUXQNK-UHFFFAOYSA-N	240.043	-0.322	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1OC	2255497854	ISVLCHDDFPBWRY-MRVPVSSYSA-N	249.075	-0.321	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCCCC#N	2255510309	VGPGBFFVOCMOPG-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1n[nH]cc1B(O)O	2255546264	CCEQLBISZZFXPH-CBAPKCEASA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]1C1CC1	2255717235	JETLTEOETGRWIO-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
C=CCCN(C)C(=O)c1nccc(C)c1B(O)O	2255786538	SFGYBVVJDWENPG-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255805227	NKSIZUDDSSDUOZ-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC=CCC1	2256016545	JYVVOARKRLRUER-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CO)[C@H]2C[C@@H]12)C1(B(O)O)CC1	2298367991	GVYJEOPKZQEOTD-KDXUFGMBSA-N	239.080	-0.874	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369303	QCALSOZGIFJLCJ-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](NC(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	2301654105	NNRQMIPQCMKYKO-IYSWYEEDSA-N	244.056	-0.990	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)CC1(O)CC1	2301868435	ZFKQTETWQZPQTA-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@@H]3CCO[C@H]32)ncc1F	2303834619	IZUHYNUGTDUMNA-MPWNKIQUSA-N	238.027	-0.900	50	10	BBGE	
N#CCC1CN(c2cc(B(O)O)c(F)cn2)C1	2303849491	JVQFAJYELFPHQS-UHFFFAOYSA-N	235.027	-0.750	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@@H]1CCNC1	2317168730	XYSHAFUPJWQDMW-LLVKDONJSA-N	245.091	-0.964	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317350614	WALPXPMDRUVPTJ-RYUDHWBXSA-N	248.091	-0.529	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)/C=C/C(=O)O	5678499	MGVFHUNHZULXCF-NSCUHMNNSA-N	238.199	-0.010	50	10	BBGE	
O=c1cnn(CCCCCl)c(=O)[nH]1	34745929	SVALBOPDZQEZBO-UHFFFAOYSA-N	203.629	-0.049	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	37834220	WMZKFSYQBDIGKM-HCWXCVPCSA-N	220.656	-0.939	50	10	BBGE	
O=C1N=C(O)N[C@H](C(=O)O)[C@H]1Br	62722501	TWHXMCSPQHQVFV-NCGGTJAESA-N	237.009	-0.753	50	10	BBGE	
N[C@H](C/C(C=O)=C/C=C(/O)C(=O)O)C(=O)O	71756199	OAPFPZKGGMKELA-LVVMAEKWSA-N	229.188	-0.560	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)C[C@@H]1C	82485328	GPUPNYDSYNKANO-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCN(C)C	82544103	WSVXWDKTWWXWCP-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C(=O)NN)CC[C@H]1C	82847382	JXLMRJYIEUESHJ-CSMHCCOUSA-N	213.281	-0.083	50	10	BBGE	
COC(=O)[C@@H](Br)CN(C)CCO	88011737	QNPPMJWSKXNSRK-LURJTMIESA-N	240.097	-0.153	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@H](C(=O)NN)C(C)C	110588559	AIQPKSGUNROLQY-JTQLQIEISA-N	244.339	-0.556	50	10	BBGE	
CN1CC(=O)N(C[C@@H](Cl)C#N)CC1=O	132601427	FJZDXTCRPLOPDB-LURJTMIESA-N	215.640	-0.582	50	10	BBGE	
COC(=O)[C@H]1COCCN1C(=O)CCl	133853761	ANGRUYBRYVSXKA-ZCFIWIBFSA-N	221.640	-0.374	50	10	BBGE	
CS(=O)(=O)CC(=O)NCCOCCCl	136971021	UEKLGTYOEJAFAW-UHFFFAOYSA-N	243.712	-0.597	50	10	BBGE	
CC(C)[C@@H](NC(=O)NN(C)C)C(=O)O	149099303	FSIJUKMBUMQNSU-ZCFIWIBFSA-N	203.242	-0.129	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1CC[C@H](C)O1	157454439	NXIWJDCZRBSBBX-JGVFFNPUSA-N	230.264	-0.262	50	10	BBGE	
CC(=O)N[C@@H](Cc1ccccc1)B(O)O	169973894	RZOBKIYINHXHKR-JTQLQIEISA-N	207.038	-0.254	50	10	BBGE	
C#CC1C(C=O)=CN(C(N)=O)C=C1C=O	195975489	VNHCPMMFJGCSGR-UHFFFAOYSA-N	204.185	-0.204	50	10	BBGE	
COc1ccc(-c2ncc(B(O)O)cn2)cc1	198019675	QWPJGSCJFHAZIY-UHFFFAOYSA-N	230.032	-0.168	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)CCO1	199006002	UQQCOPATWGRDLQ-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
Cc1ccn(Cc2ccccc2B(O)O)n1	203618437	FFLNMPCGSVGAIX-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C(C)=O)CC1	211778201	MAABASVHYDLWFI-SNVBAGLBSA-N	242.323	-0.691	50	10	BBGE	
CCN(CC1CC1)[C@@H](COC)C(=O)NN	232420271	HQSAUJGMRKAITF-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
O=C(NCCCl)c1ccc(=O)[nH]n1	236029571	KQEGFUNFLDQVSV-UHFFFAOYSA-N	201.613	-0.262	50	10	BBGE	
NC[C@H](O)CNCCCBr	238806045	QBTSOLMPZKFEIW-LURJTMIESA-N	211.103	-0.319	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1CCCO1	251239212	SOCYEGZFFBATJX-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN1CCC(C[C@@H](N)C(=O)NN)CC1	259051642	VFMBDYSLYXCHNF-MRVPVSSYSA-N	200.286	-0.965	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc(F)c(F)c1	259071579	YBSGCGIALDKGGK-QMMMGPOBSA-N	215.203	-0.176	50	10	BBGE	
CCN([C@@H](C)CN(C)C)[C@H](C)C(=O)NN	300049533	SMOUWZHRVHKLSB-DTWKUNHWSA-N	216.329	-0.363	50	10	BBGE	
CC(=O)NC1CN(C(=O)NC(=O)CCl)C1	307229641	BIFOFMFMCJCLPY-UHFFFAOYSA-N	233.655	-0.718	50	10	BBGE	
C[C@@H]1O[C@H](O)[C@H](Br)[C@H](O)[C@H]1O	307478367	WCCJMIBXGLUWRG-GNFDWLABSA-N	227.054	-0.791	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CN(C)NC1=O	307552982	VLPXFOUVYZZKSH-UHNVWZDZSA-N	205.645	-0.925	50	10	BBGE	
C[C@H]1CCC(=O)N1Cc1cc(C(=O)NN)no1	309709398	JEMFMUZCBTWSID-LURJTMIESA-N	238.247	-0.211	50	10	BBGE	
CN(CCCCCC(=O)NN)CCOCCO	310069486	SMYGXBWREXUEPG-UHFFFAOYSA-N	247.339	-0.523	50	10	BBGE	
Cl[C@H]1COC[C@H]1NCCn1cncn1	323405043	VANMBRGPPUOIFC-JGVFFNPUSA-N	216.672	-0.126	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(N(C)C)C1	382348998	OQZVRDJXQBMVSW-JGVFFNPUSA-N	214.313	-0.753	50	10	BBGE	
CCC1(O)CN(Cc2cc(C(=O)NN)no2)C1	384155453	QETMKYZPVAWCQG-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN([C@@H](C)C(=O)NN)[C@H]1[C@H]3C2	394359381	ALCPISYDTNFLJQ-OJHQEIPXSA-N	239.319	-0.280	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1O	399953578	YSIVERVKSYCRDN-ZYUZMQFOSA-N	229.324	-0.296	50	10	BBGE	
O=C1[C@@H]([N+](=O)[O-])CN[C@@H]2CC[C@@H](Cl)N[C@@H]12	605700880	BZKUVKRRCYHFIM-JRTVQGFMSA-N	233.655	-0.511	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)Cc1ccccc1B(O)O	688223545	PRILOWLWSAATKV-GWCFXTLKSA-N	249.119	-0.167	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(CCO)CCCO	695088626	VGEYZJDLEXQFEW-SNVBAGLBSA-N	247.339	-0.932	50	10	BBGE	
NC(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-]	700874596	XPAKEIHPJPZQNW-UHFFFAOYSA-N	238.203	-0.163	50	10	BBGE	
O=C(CBr)N[C@@H]1COCC[C@@H]1O	710941659	ASDKWSZFEZZPGF-RITPCOANSA-N	238.081	-0.353	50	10	BBGE	
CCC/C=C\C(=O)NNC(=O)c1cnn[nH]1	729456435	LKGJBFYCCLDGKY-PLNGDYQASA-N	223.236	-0.078	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C	770850350	BBUNYQLMGQBWKF-JGVFFNPUSA-N	230.264	-0.405	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1n[nH]cc1F	907253538	VFIJBEBGFHQVHY-UHFFFAOYSA-N	229.215	-0.145	50	10	BBGE	
CNC(=O)NNC(=O)C(=O)c1ccc(F)cc1	1116558955	HRSRWTQNAIOFOO-UHFFFAOYSA-N	239.206	-0.031	50	10	BBGE	
C[C@@H]1CN(Cc2cscc2B(O)O)CCO1	1231947387	SEMHEMGVENDYRJ-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/c1cnccn1	1251228125	ZGPSKTKTIUBLRQ-NSCUHMNNSA-N	221.220	-0.550	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CCNC(=O)CC1	1326342889	JWCJDJMNEFKUFG-SSDOTTSWSA-N	243.263	-0.368	50	10	BBGE	
C[C@H](CC(=O)NNc1ccncn1)NC(N)=O	1329916907	XSLAQYCGCYXVSE-ZCFIWIBFSA-N	238.251	-0.633	50	10	BBGE	
O=C(CCl)NCC[C@H]1CNC(=O)C1	1332816222	QKKZLWDFRCONRO-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@H]1COC[C@H]1O	1556632320	GYSNFXYLPRHAES-QNVIJMGISA-N	226.232	-0.694	50	10	BBGE	
COC(=O)NNC(=O)C[C@@H]1COC(=O)C1	1558900279	HXRBLJMUPVCGSG-YFKPBYRVSA-N	216.193	-0.673	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)c1cnncc1O	1624792689	SGMTVDWQLUZEGP-UHFFFAOYSA-N	238.247	-0.011	50	10	BBGE	
Cc1ncc(C(=O)NN(C)[C@H](C)CO)c(N)n1	1627565328	HLDNBCNWWCKICY-ZCFIWIBFSA-N	239.279	-0.675	50	10	BBGE	
N[C@@H](CO)C(=O)Nc1nnc(CCl)s1	1865952024	JAZHIWLVNUOABU-VKHMYHEASA-N	236.684	-0.465	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)NCC(Cl)Cl	1880598063	QGNZDQYESDWYOV-WVZVXSGGSA-N	215.080	-0.386	50	10	BBGE	
O=Cc1cc(Cl)cc(B(O)O)c1F	1881847659	PKGLOQPKXXZXEU-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1Br	1883530851	IQJQCPBKTBZWIG-ZLUOBGJFSA-N	247.092	-0.226	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2C[C@H]2Cl)C1=O	1883568036	SYTFXZJSIUCWJQ-IUYQGCFVSA-N	202.597	-0.308	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]21	1884457644	ZOGAWNZPWMKHID-JHYUDYDFSA-N	218.640	-0.162	50	10	BBGE	
NNC(=O)C1(CS[C@H]2CC[C@@H]2N)CC1	1887471093	DYPBEHVUKJHKQH-BQBZGAKWSA-N	215.322	-0.021	50	10	BBGE	
C[C@H](CO)Sc1ccc(B(O)O)cc1C#N	1901201626	DOPLRGDNGOIWNI-SSDOTTSWSA-N	237.089	-0.289	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@@H](C)N1	1901376725	FCVKNSVMKRUDSR-SFYZADRCSA-N	249.336	-0.560	50	10	BBGE	
COC[C@@H](C)C(=O)N1CC[C@](C)(B(O)O)C1	1902518007	NWWPLCYCTZNQBC-SCZZXKLOSA-N	229.085	-0.266	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)C[C@@H]1C[C@H]1F	1902640122	ZTVHDNIKDZPKFQ-NKWVEPMBSA-N	244.100	-0.387	50	10	BBGE	
CC[C@](C)(CN(C)[C@H]1C[C@@H](O)C1)C(=O)NN	1902715596	IOXHAFLTGSZABZ-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC(CCl)(N=c2nn[nH]n2C)CC1	1905174496	UQJSEJKIGYZFII-UHFFFAOYSA-N	244.730	-0.253	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)C[C@@H]1F	1907072724	OTTQANLAZVDDIA-SCZZXKLOSA-N	238.071	-0.054	50	10	BBGE	
CS(C)(=O)=NCCNS(=O)(=O)CCl	1913506293	WKWRAYDSTOIUDV-UHFFFAOYSA-N	248.757	-0.170	50	10	BBGE	
CC(C)[S@@](C)(=O)=NCCC(=O)NN	1913903935	OMUOYDBFRVLQQY-CYBMUJFWSA-N	207.299	-0.127	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]23CCOC3)CC1	1915571602	SCQPNIDYFOHPPN-NSHDSACASA-N	225.292	-0.379	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@]23CCOC3)c1	1915577009	OUZZNLDOCQRMAS-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)S(=O)(=O)CCl	1916840655	XGELLNYDUVVNTC-RXMQYKEDSA-N	228.701	-0.421	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(CCC[C@@H]2O)C1	1918421137	IFNCMPZGVBPEFS-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
CC=CC(=O)Nc1cccc(B(O)O)c1	1927762083	XRKKZQDSAFDDKN-UHFFFAOYSA-N	205.022	-0.119	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](O)[C@H](F)C1	1927867625	WJARTPOMASFACC-HTQZYQBOSA-N	219.260	-0.839	50	10	BBGE	
CCNC(=O)CSC[C@@H]1C[C@@H]1C(=O)NN	1927917113	IXAVKMWHJHTCOV-BQBZGAKWSA-N	231.321	-0.518	50	10	BBGE	
O=C(NNCCO)c1cc(Cl)ccn1	1929841308	DWLQCUPRAUDHIZ-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
C[C@H](OC[C@@H]1OCC[C@H]1C)C(=O)NN	1932229527	QNZSBTKTOBEJRF-CSMHCCOUSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2C[C@@H](O)CC[C@H]21	1935707301	SONPJCFRKSZHPT-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1936095612	YYIGASKABLIEBM-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C1CN(C)C1	1936505552	JAHOWIBCQPHBDP-JTQLQIEISA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC(O)C2)C1	1937043562	UCIJKZHXTSNVEX-VXNVDRBHSA-N	225.292	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)CCCCC1=O	1941085542	DPYWCPMIXIHNLV-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944741194	JKEJPBCLCSFPIX-RGOKHQFPSA-N	243.307	-0.900	50	10	BBGE	
C#CC[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	1946878802	ZMIPPTFVUPLLDQ-LLVKDONJSA-N	237.303	-0.111	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H](O)C[C@@H](O)C1	1954558260	SAXOPRGDTSESQO-GJMOJQLCSA-N	209.673	-0.986	50	10	BBGE	
CSC[C@@H](NC(=O)NN(C)C)C(=O)O	1955132302	MUJHRJMZODIIPU-RXMQYKEDSA-N	221.282	-0.422	50	10	BBGE	
CCC1CN(c2nc(B(O)O)cs2)C1	1956965912	NEVKVQWPBLVKPU-UHFFFAOYSA-N	212.083	-0.331	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCCl	1957175016	JACZJUWCCFTYAX-CAHLUQPWSA-N	220.656	-0.626	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H]2C[C@@H]21	1961509821	VZPASGRSMVVTCO-KZVJFYERSA-N	211.265	-0.915	50	10	BBGE	
OB(O)c1ccccc1OCCC1COC1	1976924314	OYLYWELIIGCIKQ-UHFFFAOYSA-N	222.049	-0.218	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)[C@H](C)CCC(=O)NN	1979616475	RBEBPLUOKNTDSG-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@H](C1)C2O)C(=O)NN	1979919304	YMAVVVWXXBTGTP-HNJRMYHASA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21	1980941792	YPYAUUYIINQOBS-HSUXUTPPSA-N	233.218	-0.474	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ncncc1B(O)O	1981409134	JJRPLAHIPOQKCU-RNFRBKRXSA-N	225.032	-0.907	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1C	1981413885	LRTLCNJIRGJBMI-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cnc(-n2cc(Cl)cn2)c(F)c1	1981464772	HAGJDSIXZJNFAJ-UHFFFAOYSA-N	241.418	-0.260	50	10	BBGE	
CC1(C)CN(c2ncc(B(O)O)cc2F)C1	1981468448	BTFJMSCFJXQHEY-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1[C@H]2OCC[C@H]12	1983237857	DSWGEWINPBELLV-CDLYGTGVSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CN1C[C@]2(F)CCC[C@]2(CO)C1	1983343536	FFPOOJWDVOMFIA-NXEZZACHSA-N	231.271	-0.837	50	10	BBGE	
CC(C)(CN1C[C@H](F)[C@@H](CO)C1)C(=O)NN	1983561138	YKEIBPJHFWPNEG-SFYZADRCSA-N	233.287	-0.735	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@](C)(F)C1	1990775052	QPSSAALDKOYIEF-JTQLQIEISA-N	231.271	-0.022	50	10	BBGE	
CO[C@@H](C)C(=O)CN1CCC(O)(C#N)CC1	1990976227	BTWUIZPVKNDIDL-VIFPVBQESA-N	226.276	-0.059	50	10	BBGE	
COC1(CCNC(=O)/C=C/C(=O)Cl)CNC1	1991702995	BBMTUPDYSDXIOX-NSCUHMNNSA-N	246.694	-0.197	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC12CCOCC2	1992191397	FLAKTCIQZABINS-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)C[C@]12CCOC2	1996643292	HAADLDRGSNRYHN-XLDPMVHQSA-N	239.275	-0.996	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC12CC(CO)C2	1997987240	MBUJTVZJIJTWIQ-QLWZBITOSA-N	239.319	-0.541	50	10	BBGE	
CO[C@@H]1CC(=O)N(CCCCCC(=O)NN)C1	2003021058	VPNDIJPYBXPGKK-SECBINFHSA-N	243.307	-0.216	50	10	BBGE	
Cc1cnn(Cc2c(C(=O)NN)cnn2C)c1	2003505952	LGDNYXLAWYQAKX-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
CC[C@H](COC)Oc1ncnc(C)c1B(O)O	2004924543	DBOQVRLZKPXIKI-MRVPVSSYSA-N	240.068	-0.731	50	10	BBGE	
COCCC1CN(c2ncccc2B(O)O)C1	2004931054	YUHXTWJPWPSQLB-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
CO[C@H](COc1ncc(B(O)O)cn1)C(C)C	2004953014	VBLQZAMNZQFFEM-SECBINFHSA-N	240.068	-0.794	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1OCC[C@@H]1F	2009207160	VIPHFNZCAJRUNW-DTWKUNHWSA-N	249.286	-0.948	50	10	BBGE	
CCN(CC(N)=O)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010836076	VYNKERVBLKTHNJ-RKDXNWHRSA-N	242.323	-0.800	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013924825	GGAMWWNVHJUOAQ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCNC(=O)C1(C)C	2018185777	SNMQANPQNWLZRF-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
CO[C@H]1CN(CC(=O)NNC(C)=O)CC[C@@H]1C	2019212109	KNPFCQJJDWTDDL-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
CC(C)CN(C(=O)C(=O)NN)[C@@H]1CCCOC1	2020541534	OYRRBNFMNLAHFX-SECBINFHSA-N	243.307	-0.360	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccccc1B(O)O	2022195948	DMORUCKPMLKFOF-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
COc1cc(B(O)O)c(C#N)c([N+](=O)[O-])c1	2060291292	QGTZMQJJJIDTOS-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COC[C@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	2069653398	GCZIKDAWIMZDFL-BDAKNGLRSA-N	249.075	-0.413	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NNCCO)O1	2209647390	NBOFXJKWXIIQJD-YUMQZZPRSA-N	202.254	-0.443	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@@H]2C[C@@H]2C1	2212294038	OUFVWCOZTDQBCV-AYMMMOKOSA-N	219.049	-0.061	50	10	BBGE	
C[C@H]1C[C@]1(F)CNc1ccc(B(O)O)cn1	2212604927	UUFCVZYHEGCRME-XVKPBYJWSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1ccnc(NCc2nccs2)c1	2212610439	ITUFVAYLRDCGHI-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
CC[C@H](O)[C@H](CC)Nc1ncccc1B(O)O	2217172281	IWVMMPMTMRZPML-UWVGGRQHSA-N	238.096	-0.277	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Nc1ccc(B(O)O)cn1	2217175851	OFCJAYBBYGGUIK-VHSXEESVSA-N	235.096	-0.686	50	10	BBGE	
CCNCCCOc1cc(B(O)O)c(C)cn1	2217180969	MOJNXSLJCUZUMS-UHFFFAOYSA-N	238.096	-0.552	50	10	BBGE	
OC[C@@H](CC1CC1)Nc1ncccc1B(O)O	2217203142	QHIJSFGMXKPPLJ-SECBINFHSA-N	236.080	-0.666	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCn2ccnc2C1	2221565241	BSKCOUPMJVCRRT-UWVGGRQHSA-N	249.318	-0.285	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCN[C@@H]1C1CC1	2223620499	OEVRGLYUHMRDIU-WDEREUQCSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1NCc1ccnc(O)c1	2223642382	IGYIVMMDMVTIDX-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(B(O)O)cn1	2223653794	UTVFMQHPCBXKSI-OEIWMXHLSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1ccc(NCC23CCC(CC2)O3)nc1	2223654139	XMVFOGDLJFOZKX-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)C[C@H]2NCC[C@@H]21	2223658095	JZTPPSAJVWUGEX-UMNHJUIQSA-N	248.091	-0.719	50	10	BBGE	
CNCCS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241663242	CBIVRLUMVZHPJM-LJGSYFOKSA-N	226.729	-0.105	50	10	BBGE	
Cn1c(O)c(F)c(=O)n(C[C@@H](Cl)C#N)c1=O	2243057732	ATOKRXCWTFSJKN-BYPYZUCNSA-N	247.613	-0.477	50	10	BBGE	
C#CC1CN(C(=O)c2cscc2B(O)O)C1	2243347062	GYHUBHJSDBLVEY-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2243357570	YOIOCNNEADBLEQ-ZCFIWIBFSA-N	222.053	-0.777	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@H]2C[C@@H]21	2243358061	BHCRWPSRVQMKIJ-WDSKDSINSA-N	238.077	-0.943	50	10	BBGE	
COCCCNC(=O)c1sccc1B(O)O	2243373967	BPOGMUVRSMQQGI-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cn[nH]c1	2243392233	SGARDIGQYSBDDC-GEVIPFJHSA-N	223.041	-0.550	50	10	BBGE	
CCN(C[C@@H](C)N)C(=O)C1(B(O)O)CCC1	2243397534	DATFGLLYQBKDAQ-MRVPVSSYSA-N	228.101	-0.421	50	10	BBGE	
O=C(N[C@H](CO)C1CC1)C1(B(O)O)CCC1	2243410091	VHVLGFLQEZTVJO-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
CC[C@H](CCCO)NC(=O)C1(B(O)O)CC1	2243410976	LPKZZUOBQQJTBJ-MRVPVSSYSA-N	229.085	-0.339	50	10	BBGE	
C=C(C)C(=O)NCc1cccc(B(O)O)c1	2243667252	FYJDUXAMTROQIU-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2243714014	DTUDRLZXDSUWFX-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
CC1CC(C)(Cn2cc(B(O)O)ccc2=O)C1	2246524227	SRELGNJQQIKZRB-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
O=C(NCc1ccc(F)cn1)[C@@H]1C[C@H]1B(O)O	2247797690	MCEBNYFPQABYKA-RKDXNWHRSA-N	238.027	-0.300	50	10	BBGE	
CC(C)(C)CN(CCO)C(=O)[C@@H]1C[C@@H]1B(O)O	2247804392	GYZKZNKVEAELSZ-BDAKNGLRSA-N	243.112	-0.284	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@H]1C(F)(F)F	2247849153	WDAFDPAJLGSZDS-RNFRBKRXSA-N	248.997	-0.294	50	10	BBGE	
C[C@]1(CCO)CCN1C(=O)C1(B(O)O)CCC1	2247877408	AJOQCBJDZFESDS-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)ncn1	2247897287	QFKFOJUWEWNEPL-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)C1CC(B(O)O)C1	2247902871	HZBNMCLEFKYDEI-XNWIYYODSA-N	240.112	-0.598	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248579366	YZXQBVUJTMEVFK-VQVTYTSYSA-N	243.068	-0.535	50	10	BBGE	
O=C(N[C@H](CC1CC1)C(=O)O)[C@H]1C[C@H]1B(O)O	2248588974	KMQFKCKBMYXUIW-XLPZGREQSA-N	241.052	-0.781	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@@H](C(=O)NN)C1	2249023511	PEQUBGNXHLZWKA-GXSJLCMTSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)cc1	2249300914	DGDJRCCLOWNWBR-MRVPVSSYSA-N	239.055	-0.204	50	10	BBGE	
CC(C)(CF)CNC(=O)c1cocc1B(O)O	2249424805	XOABDYWWTFZHIF-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1cc(B(O)O)co1	2249427416	FYCRCFIWNBDUNV-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(NCCC#CB(O)O)C(C1CC1)C1CC1	2250003332	WSNQEJAVNODBHW-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1c1ncccc1B(O)O	2251025760	GGALHOXADMNRNC-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1ccncc1B(O)O	2255448877	HSQRBSUKJKIUQT-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC[C@H]2C[C@H]21	2255450628	YNRQGZBWZGMHMY-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1CC[C@@H]2C[C@H]21	2255456556	PUZQHBXPDSZJBG-SZEHBUNVSA-N	249.075	-0.170	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1F	2255502532	YRRIKOXCEURUFP-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H](C)CC#N)c1B(O)O	2255509174	IXCPMGOEUZQSIP-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2255516263	JRUWARHRZSUTTO-LDYMZIIASA-N	248.091	-0.368	50	10	BBGE	
C#C[C@H](NC(=O)c1cncc(B(O)O)c1)C(C)C	2255529829	IUWXXAWTEBNCCI-NSHDSACASA-N	246.075	-0.851	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ncccc1B(O)O	2255692875	OGRWDKXCSHISDK-DTORHVGOSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC[C@@H]2C[C@H]21	2255735509	VKUWSDVVVMQQIG-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC2CC1C2	2255892802	LSPXJMBPRKBKDL-UHFFFAOYSA-N	246.075	-0.008	50	10	BBGE	
CC=CC(=O)N1CCc2cc(B(O)O)ccc2C1	2256638893	AAJYQIKRLWLMIB-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
O=C(N[C@@]12C=C[C@@H](CC1)C2)c1cc(B(O)O)co1	2258120867	HUDCFGBNPDTXIB-UFBFGSQYSA-N	247.059	-0.202	50	10	BBGE	
O=C(NCCC#CB(O)O)c1c(O)cccc1O	2258956580	ZCDPTOLGVTUBOT-UHFFFAOYSA-N	249.031	-0.767	50	10	BBGE	
NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298368504	IQPZZXRFDYHZON-GENCIFFESA-N	238.096	-0.813	50	10	BBGE	
C[C@@]1(O)CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369459	VDUQOZGYSDSSDO-SDNRWEOFSA-N	241.096	-0.341	50	10	BBGE	
N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C1CC(B(O)O)C1)C2	2298369961	KDKNOIGZLVRQID-LENJLYNKSA-N	238.096	-0.813	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298370219	RTVNCXGCNUMPGM-NHETZVSYSA-N	238.096	-0.909	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2298375992	AMJMUBAPYZHTRA-CHHOWFRJSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376083	HIYOZPZUHUIKSZ-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@@H]1B(O)O	2298463639	PTPGDCOOGPEVCC-VGRMVHKJSA-N	241.052	-0.781	50	10	BBGE	
CC(=O)N(C)CCN(C)CC1(C(=O)NN)CC1	2301395900	UNPIZMAFVISQDL-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
C#CCC(=O)Nc1ccc(OC)c(B(O)O)c1	2301524898	IFEZSSJGXDDJEN-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
C[C@H](COC[C@@H]1COC(C)(C)CO1)C(=O)NN	2301605579	NXFZSSZDKPIQLR-RKDXNWHRSA-N	246.307	-0.177	50	10	BBGE	
CC[C@@](C)(CN(C)Cc1ncon1)C(=O)NN	2303422091	HDHXNMBHTGGXDL-JTQLQIEISA-N	241.295	-0.092	50	10	BBGE	
COC[C@@H](CF)Nc1cc(B(O)O)c(F)cn1	2303836247	JWUMWGVBAXLUHB-ZCFIWIBFSA-N	246.022	-0.703	50	10	BBGE	
OB(O)c1cc(N[C@@]23COC[C@@H]2C3)ncc1F	2303837000	UNSFMAQCLCYXHC-WKEGUHRASA-N	238.027	-0.899	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ncccc1B(O)O	2304123727	XWDQXAMQDVRRBY-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317307761	DMRGZDITIRLJCI-PHIMTYICSA-N	249.075	-0.232	50	10	BBGE	
CC1(N)CC(Oc2ccc(C=O)c(B(O)O)c2)C1	2317351950	QQRVOQNGGROAJW-UHFFFAOYSA-N	249.075	-0.563	50	10	BBGE	
N#CC1CCN(c2cc(B(O)O)c(F)cn2)CC1	2320794187	BPOSATXFSKZLCG-UHFFFAOYSA-N	249.054	-0.360	50	10	BBGE	
C#CCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	37834430	YLGKKVDOADLABG-QMMMGPOBSA-N	249.719	-0.126	50	10	BBGE	
N#CC1=C(Nc2ccccn2)C(=O)NC1=O	75623320	AIYBRELPQVBQRA-UHFFFAOYSA-N	214.184	-0.072	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CC(=O)N(C)C	82470148	BJHDDNIUIJQMMH-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
COC(=O)CS[C@H](C(=O)NN)C(C)C	82472446	BHNHVQVKLNGKEQ-ZETCQYMHSA-N	220.294	-0.093	50	10	BBGE	
CCOCCN(CC)CCC(=O)NN	82538279	CYFFNGRAHUDPLO-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CNC(=O)c1ccn([C@H](C)CCC(=O)NN)n1	85196478	VXNSSQBVMQPZFG-SSDOTTSWSA-N	239.279	-0.426	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCCN(C)C	86313681	BWSJVMPOJIQJMN-NXEZZACHSA-N	230.356	-0.116	50	10	BBGE	
CC(C)(CCl)C(=O)N[C@@H]1CONC1=O	86482474	HPQVMLXHSZAASB-RXMQYKEDSA-N	220.656	-0.202	50	10	BBGE	
C[C@@H]1COCCN1CC(C)(C)C(=O)NN	86597742	DSXPGQHNMIWMCV-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CCN(CC(=O)NC(C)C)[C@@H](C)CC(=O)NN	110591334	HAZMMARLUQCPEI-VIFPVBQESA-N	244.339	-0.399	50	10	BBGE	
O=C(NC1CC1)[C@@H]1COCCN1C(=O)CCl	130242777	HDSNZBPAPVXTCL-QMMMGPOBSA-N	246.694	-0.269	50	10	BBGE	
O=S(=O)(CCCCCl)NC[C@H](O)CO	162597883	XNIOEIMBWAXMHX-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
O=C(O)[C@]1(O)C=C(Cl)[C@H](O)[C@H]1Cl	197480103	CZIFEXXXNORKKJ-RPDRRWSUSA-N	213.016	-0.093	50	10	BBGE	
C[C@@H](O)CN/C=C(/C#N)C(=O)NCCCl	217236328	HYEFRZQQZXNVHU-QHRPWQPMSA-N	231.683	-0.281	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)[C@H](C)O	230309903	SXIVFTNEDKOTML-NTSWFWBYSA-N	220.294	-0.344	50	10	BBGE	
COC[C@H](SCCN(C)C)C(=O)NN	232421804	ZCQLRHCCAVVIKQ-ZETCQYMHSA-N	221.326	-0.714	50	10	BBGE	
C[C@@H](O)C1CCN(CCC(=O)NN)CC1	235240950	CLZWJYJTPDFFHD-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1CN(C)CCN1CCC(=O)NN	235577453	CSXGYPRJPYMYCO-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
Cn1c(B(O)O)cc2ccc(C(=O)O)cc21	238527732	XYTGDNHWWLKYLQ-UHFFFAOYSA-N	219.005	-0.444	50	10	BBGE	
Nc1ccnc(Br)c1B(O)O	238656293	UCWKWUAEMOAMHL-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@@H](C)[C@H](C)C(=O)NN)C1	252795405	AZQYQENRZRPPDW-OYNCUSHFSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252845941	CLJQXXCWNCTJME-XGEHTFHBSA-N	213.281	-0.933	50	10	BBGE	
CN1CCC[C@@H]([C@H](N)C(=O)NN(C)C)C1	259064962	MWZPGWPVLSPUOH-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
COC(=O)[C@H](Br)CN[C@H](C)CO	300009089	MMDIXIKXBHYMJU-PHDIDXHHSA-N	240.097	-0.107	50	10	BBGE	
CS[C@H]1CCCC[C@H]1NC(=O)C(=O)NN	300630934	CTROPHJGFSLGFU-RQJHMYQMSA-N	231.321	-0.233	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1[C@H](C)C(=O)NN	307019578	YLZVGROJTYAZHG-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)C(F)(F)F	307691296	IUAZNNPAKJSDPP-UWTATZPHSA-N	200.116	-0.923	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)Cc1nncn1C	310240513	BLZNFCXGLQMPSC-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)[C@@H](CO)C1	316946886	AZUPDFUUUNJTBA-PRJMDXOYSA-N	221.684	-0.327	50	10	BBGE	
C[C@@H](CN1CCC[S@](=O)CC1)C(=O)NN	321865997	JYPCZQQAZOBGKQ-AYVTZFPOSA-N	233.337	-0.933	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN2CC[C@H]1C2	381759487	GUVDMLRHKDSGCY-VHSXEESVSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(O)(C2CC2)C1	384173066	URAVJDJRGFREER-YUMQZZPRSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)C[C@@H](C)C(=O)NN	399986065	QWPVZMJBSDRXDG-VGZKNDNBSA-N	235.353	-0.689	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2CC2)C[C@H]1C	402753395	BLCPHNFSVJWHJA-MWLCHTKSSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](N[S@@](C)=O)c1ccc(B(O)O)cc1	404940898	RWVRJGAUHSUSHM-NZFNHWASSA-N	227.094	-0.690	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	405038725	YDHQXGSDFOEZCM-HTRCEHHLSA-N	220.037	-0.644	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700560018	PPETXXLQTQAAGY-DTWKUNHWSA-N	249.286	-0.948	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700560801	LWCUJHWNUXNADS-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
Cc1c([C@H]2C(=O)NC(=O)[C@H]2Cl)nnn1C	706078442	HRNMKNJJVNUMBL-WHFBIAKZSA-N	228.639	-0.529	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2Cl)nn1	706687065	MMYKGBFLLWZSTN-BQBZGAKWSA-N	244.682	-0.059	50	10	BBGE	
OB(O)c1cnn(Cc2ccc(F)c(F)c2)c1	709730146	QKZAUYMKJCZINR-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	709913665	PCFKVEQYKJVTEW-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
NC(=O)C1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	716682571	IHPSJADJXQNZRZ-GHNGIAPOSA-N	238.243	-0.833	50	10	BBGE	
O=S(=O)(CCCl)N[C@@]12COC[C@@H]1C2	718109547	GAFQRNHPBKJJSA-BQBZGAKWSA-N	225.697	-0.067	50	10	BBGE	
OB(O)c1ccc(F)cc1OCC[C@@H]1CO1	718545579	YBBMURZVNRFKHW-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
O=C(NCB(O)O)[C]1SC=C[C@@H]1F	725598433	AMWULVFROGOLKY-BYPYZUCNSA-N	204.011	-0.755	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCSC1=O	725663490	URVMNBFMXIKYFU-WDSKDSINSA-N	215.278	-0.219	50	10	BBGE	
O=C(NN=C1CCCOC1)C(=O)NC1CC1	734746665	OZPWLOJLNBNGJU-UHFFFAOYSA-N	225.248	-0.452	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)NC(=O)CCl	757146894	PAHRRHUXCXGSQE-SCSAIBSYSA-N	219.628	-0.979	50	10	BBGE	
Cn1ncc(C(=O)NNC(=O)c2ccoc2)n1	786017149	QFNROCVJVSFGPG-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
CNC(=O)NNC(=O)c1ccn(C)c1C	798929391	RPLGXOYXYGBASQ-UHFFFAOYSA-N	210.237	-0.093	50	10	BBGE	
CCONC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	845121297	IIXTZNFMNKNTBK-BWZBUEFSSA-N	243.263	-0.164	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2(C)CCC2)nn1	855188350	JIQSLEWMGLZNEV-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](O)C2CC2)n1C	856046163	YOOWHBRLJBQZRW-ZETCQYMHSA-N	225.252	-0.662	50	10	BBGE	
O=C(CCO)NN=Cc1cc2n(n1)CCC2	1118524811	INQQPBHLRCXEGR-UHFFFAOYSA-N	222.248	-0.338	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1cn[nH]c1	1131740489	AATBNCMNZZCDKA-UHFFFAOYSA-N	224.220	-0.627	50	10	BBGE	
CCNC(=O)NNC(=O)Cn1ccnc1C	1142342828	LFJOWEUFFCGCNJ-UHFFFAOYSA-N	225.252	-0.458	50	10	BBGE	
Nc1cccnc1C(=O)NNC(=O)c1cc[nH]n1	1166395570	GCFUQZYUVVCAIB-UHFFFAOYSA-N	246.230	-0.538	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)c1cn(C)nn1	1261749081	ZXDUFIUMDQVJFG-ZCFIWIBFSA-N	236.235	-0.874	50	10	BBGE	
O=C(CCO)NN=C1CCC[S@@](=O)CC1	1330649045	PGMRZFGUNLZAEG-OAHLLOKOSA-N	232.305	-0.226	50	10	BBGE	
CC(=O)NNC(=O)c1cnn(CCC#N)c1C	1350572360	APUAKKPZKBZRGW-UHFFFAOYSA-N	235.247	-0.114	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)c1ccncc1	1440526422	MQSNGVBAOXEJAS-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
CN(C)C(=O)NNC(=O)C[C@H]1CCC(=O)NC1	1631399042	QJSJXQDNFRNVNV-SSDOTTSWSA-N	242.279	-0.795	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC	1648396961	JIHAVQYEOAKFNP-NKWVEPMBSA-N	244.247	-0.037	50	10	BBGE	
O=S(=O)(CCCO)NC[C@H]1C[C@H]1Cl	1883556512	ZLGYVCHTOJEBSP-RNFRBKRXSA-N	227.713	-0.085	50	10	BBGE	
N[C@@H](C[S@](=O)C[C@@H]1C[C@H]1Cl)C(=O)O	1883567779	RCKJMPMWJXIFTD-WLRKYHAWSA-N	225.697	-0.226	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC2CC(Cl)C2)C1	1884412172	MSASLTYZJXMCOL-DWYQZRHDSA-N	239.724	-0.496	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1885721448	GUODDQDCOOFIGT-JIGDXULJSA-N	239.724	-0.275	50	10	BBGE	
CN(C[C@H](O)CCl)[C@H]1CCC(=O)NC1	1886156207	RNWWNYVWDLLTEJ-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)C[C@H]1CO	1886211410	HBJWPCXZSDALBW-CSMHCCOUSA-N	204.657	-0.455	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@@H]2COC[C@H]21	1887850453	NVUVCRPKNSEDMT-DJLDLDEBSA-N	215.684	-0.210	50	10	BBGE	
CN(NC(=O)OCCl)S(C)(=O)=O	1888562207	QYZQQOXEICDXNC-UHFFFAOYSA-N	216.646	-0.285	50	10	BBGE	
CO[C@@H](CN)CNC(=O)/C=C/C(=O)Cl	1888837482	LUUKTFKUGDGPEH-SZKDQXIBSA-N	220.656	-0.602	50	10	BBGE	
CN(CCF)Cc1nc(B(O)O)cs1	1891783104	BKCBCOUFIHKEJC-UHFFFAOYSA-N	218.062	-0.776	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N(CCO)CCCO	1893446992	TYFJJQCMFIDVMW-HTQZYQBOSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2CC2)C1=O	1894137076	ZBAVJYWSRNCBQS-SSDOTTSWSA-N	226.280	-0.345	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C1CSC1	1896176471	SQSSGHDQINDGNX-DTWKUNHWSA-N	245.348	-0.429	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSCCOC1CNC1	1897723176	ZSAKXFSVRLHSJM-IONNQARKSA-N	245.348	-0.666	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	1901323861	ONFITUXSWCNNID-FTYOSLGDSA-N	227.308	-0.400	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H]2CC(F)(F)CO2)C1	1902528272	FVVNEDBOVQOMMX-HTQZYQBOSA-N	235.039	-0.041	50	10	BBGE	
CC(F)(F)CNc1cc(B(O)O)c(F)cn1	1903009903	JEGWCSMPDGCEBR-UHFFFAOYSA-N	233.986	-0.032	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc([N+](=O)[O-])ccc1=O	1905534928	MIPIRIILWICKMW-ZCFIWIBFSA-N	240.219	-0.303	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3C[C@@H]3C2)n1	1907079995	LDGXHOOPEZPING-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
CO[C@@H](C)CN(C)CC(F)(F)C(=O)NN	1927815880	DDXPDOFOGGKFOG-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC(C)(C)CO1	1929668208	NJJDTGSCMKQUCU-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1[C@@H]2NCCO[C@H]21	1929944020	ARFWYGISSAMHSY-VQVTYTSYSA-N	239.102	-0.107	50	10	BBGE	
O=S(=O)(CCCl)N[C@H](CO)C1CC1	1930727049	SACOBAPQBQSVQM-SSDOTTSWSA-N	227.713	-0.085	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C(=O)NC(=O)CCl	1931393279	WFXMPVIXXHKGBI-YFKPBYRVSA-N	235.671	-0.343	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)C(F)(F)C1	1931821727	XJRXLCBXBFNQAL-LURJTMIESA-N	223.223	-0.932	50	10	BBGE	
COC[C@H](OCCOCC(=O)NN)C(C)C	1936530669	BSPBUSVGTDJXQJ-VIFPVBQESA-N	234.296	-0.320	50	10	BBGE	
O=C(Cn1cnnn1)N1CCO[C@@H](CCl)C1	1937160711	YODXGCMSPSRVGR-ZETCQYMHSA-N	245.670	-0.861	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941074622	SXEMZBAGZQWMOM-FBIMIBRVSA-N	241.335	-0.295	50	10	BBGE	
CC(C)N1CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941085329	CQYYRDGRJRRVOL-GHMZBOCLSA-N	240.351	-0.362	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1[C@H](C)CC(=O)NN	1942613066	LMKLYWDBHUFMQO-XKSSXDPKSA-N	242.323	-0.789	50	10	BBGE	
CN(C)C[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1945883723	DVPOXNUQOOQXBM-SNVBAGLBSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](CO)C3(CC3)C2)CC1	1945883983	JKVKPJWFXKTRTC-SECBINFHSA-N	239.319	-0.539	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)C1(C)C	1946257112	NJQURMGXQICPEZ-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(C3CC3)C2)O1	1948089760	OIWFHFRITLBCRU-GHMZBOCLSA-N	239.319	-0.134	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)C(=O)CCl	1951938554	VTUJJNARWLHZII-LURJTMIESA-N	241.696	-0.656	50	10	BBGE	
Cn1cc(C(=O)NN)c(Br)n1	1953332878	DPGYZYJXBCGDLU-UHFFFAOYSA-N	219.042	-0.214	50	10	BBGE	
C[C@H](CN)SC[C@@H]1C[C@@H]1C(=O)NN	1954407084	OEIVPCKHTIBMAC-VQVTYTSYSA-N	203.311	-0.307	50	10	BBGE	
CC[C@H](Cl)C(=O)NC(C)(CO)CO	1954505476	GKWXIDBLXLMOKO-LURJTMIESA-N	209.673	-0.137	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC12COC2	1961513431	UMCUREACPYCESL-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H]1C[C@H](OCC(F)(F)C(=O)NN)CO1	1961629905	ULVJQVXYHVPJEW-RITPCOANSA-N	224.207	-0.194	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC=C(Cl)Cl	1975101461	RZQHWOUDKDXIAH-UHFFFAOYSA-N	247.874	-0.153	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)c1ccsc1	1976995562	RYDNBSMDWKGKFR-LURJTMIESA-N	243.049	-0.596	50	10	BBGE	
CCS(=O)(=O)COc1ccccc1B(O)O	1978304435	ROFDMCXVSRQHDF-UHFFFAOYSA-N	244.077	-0.863	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC=C[C@H](O)C1	1978919925	OPAPEOOZTARDPV-DTWKUNHWSA-N	227.308	-0.376	50	10	BBGE	
CN(CC1CCC1)c1ncc(B(O)O)cn1	1981409408	MHEACRCRSGGABP-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
CSCCN(C)c1cc(C)c(B(O)O)cn1	1981413828	KYENRKRTOJVGSR-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CCC[C@H]21	1981424499	URDYKSYVIPNEKS-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C(C)(C)C)n1	1981469541	URKDEWHBDREYPA-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)C2O)C(=O)NN	1981543062	IVGWSRUWUCARLV-JVHMLUBASA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)n1	1981993266	OCZAABQIPWKLPW-HSNKUXOKSA-N	236.105	-0.333	50	10	BBGE	
O=C1NC[C@]2(CCCN(C[C@@H](O)CCl)C2)N1	1983848606	VGSGTWIXDRQKTB-WPRPVWTQSA-N	247.726	-0.267	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)C[C@@H]2COCCN12	1986929302	LXVRHWKAUQJIAQ-BDAKNGLRSA-N	248.710	-0.871	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COCC[C@@H]32)CC1	1989937068	VNPYRJZTXLPDKM-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
C[C@]1(C(=O)N[C@H]2CCC=C2B(O)O)C[C@H]1F	1991334486	WJKKYMZPBPVXLV-XKSSXDPKSA-N	227.044	-0.049	50	10	BBGE	
Cc1cccc(C(=O)NCC#CB(O)O)n1	1992144441	ALBXTSYIOHQMGW-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C=C(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)B(O)O	1992146964	XWIFTJHRIQLKSI-RKDXNWHRSA-N	249.141	-0.692	50	10	BBGE	
CC(C)N(C)C(=O)c1ccccc1B(O)O	1992835938	IEGOZDXSJGFYRH-UHFFFAOYSA-N	221.065	-0.153	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)CC[C@H]1CO	2001925564	HNTQDQBBMZIKKN-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CC(C)OCC1CCN(C(=O)C(=O)NN)CC1	2003792225	LBODTICLDXVHAK-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
Cc1nc(N2CCC[C@@H]2CF)ncc1B(O)O	2004971308	PMJXSKPZRLXBNY-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
Cc1nc(N2CC[C@H](C)[C@H]2C)ncc1B(O)O	2004972653	IPWPWZCELYOTKL-IONNQARKSA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]2CF)c(F)c1	2005018385	SQKLSGWHXDCWAE-QMMMGPOBSA-N	242.034	-0.161	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21)C(=O)NN	2005810311	XOAWHBBPBJOPJC-XAVMHZPKSA-N	237.303	-0.131	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](O)C2)cn1	2007740263	GKVBVLFFVHSKOA-VIFPVBQESA-N	236.275	-0.748	50	10	BBGE	
CCO[C@@]1(CN(C)[C@H](C)C(=O)NN)CCOC1	2014573308	NNMQXISRUHPILP-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N(C)CCOC)C1	2017464461	ARDQEHKLBVCVPZ-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
C=CCN(CC(=O)NNC(C)=O)[C@H](C)COC	2019209865	LAWWRAXJMAIORL-SECBINFHSA-N	243.307	-0.323	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@]1(C)COC	2024856458	VWPCDFGIFIESFI-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
COC1(CN(C)Cc2ccc(B(O)O)cc2)CC1	2048916351	LWYQKJUBLSWRJA-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)c1cncc(CN2CCO[C@H]3C[C@@H]32)c1	2051853007	DESJZWYKMQQSPE-QWRGUYRKSA-N	248.286	-0.342	50	10	BBGE	
Cc1ncnc(N(C)CC2CC(C)C2)c1B(O)O	2052558278	XSMYAEQFMIXXMH-UHFFFAOYSA-N	249.123	-0.053	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CCO[C@@H]3C2)c(B(O)O)c1	2052620524	UYQMBOSBUNZJBR-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1cc(N2C[C@H]3CO[C@@H](C3)C2)ncc1B(O)O	2052626179	SZNIIEDFWBUGEU-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
COc1ccc(OC(F)F)c(OC)c1B(O)O	2060185705	WHCNRFHJANGLNW-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
COc1c(C)cc(B(O)O)cc1[N+](=O)[O-]	2060380487	HSEMVECFKMCLIE-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
C=C1CC(Cn2cnc3c(B(O)O)ncnc32)C1	2061706481	FWNJNVJFKXBEFE-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
Cc1cocc1CN(C)c1ncncc1B(O)O	2066410478	OFGXUJCLNHVVNS-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CCc1nnc(C)cc1C(=O)NCC#CB(O)O	2077483851	RZUATGXMMNWKTJ-UHFFFAOYSA-N	247.063	-0.907	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccc2[nH]ccc12	2077484052	VAJCIFKOCMIHRS-UHFFFAOYSA-N	242.043	-0.087	50	10	BBGE	
O=C(N1Cc2cccc(B(O)O)c2C1)C1(F)CC1	2085363245	GUXPNGPOYFIHBK-UHFFFAOYSA-N	249.050	-0.289	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H](CO)CC1CC1	2210716569	KLXIAKBEOJCHGL-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](CO)CC1CC1	2210716668	LWEMCAAXWQFEFL-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(C)n(Cc2nscc2B(O)O)n1	2211136568	UFEAQWJAYGSTHX-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
CC[C@@H]1CCN1c1nccc(B(O)O)c1F	2212603645	IAYIUZPEGNMWOZ-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
CC1(Nc2nccc(B(O)O)c2F)COC1	2212604512	PPEZUHVZLSGQOU-UHFFFAOYSA-N	226.016	-0.899	50	10	BBGE	
CC[C@@H](CNC)Oc1cc(B(O)O)ccn1	2212605505	FZQNRHQQFZLCEO-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
CC1(C)CC[C@@H]1n1cc(B(O)O)cnc1=O	2212715334	KWLOXJKBCRZKPP-QMMMGPOBSA-N	222.053	-0.716	50	10	BBGE	
C=CCOC(=O)NCc1cccc(B(O)O)c1	2216294311	FXIPEPFDTCYSCO-UHFFFAOYSA-N	235.048	-0.221	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1C[C@@H]2C[C@H]2C1	2216546591	HPZIXJUBAKMROW-IUCAKERBSA-N	232.092	-0.004	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@]2(F)C1	2216597298	HRDWBGVUGHEUTQ-KCJUWKMLSA-N	236.055	-0.300	50	10	BBGE	
Cc1cnc(N[C@H](C)C[C@H](C)O)cc1B(O)O	2217179982	PUBYWYQNRZLUNV-BDAKNGLRSA-N	238.096	-0.359	50	10	BBGE	
Cc1c[nH]c(=NCCC[C@H](C)N)cc1B(O)O	2217183014	IGSDPWNOFCZBON-VIFPVBQESA-N	237.112	-0.969	50	10	BBGE	
CCC[C@@](C)(N)COc1cc(B(O)O)ccn1	2217189641	GZVLMSBVXLLRGL-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCO1	2217195430	KAQBFXSFACXURG-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCNC1	2217198714	FJXHSBCMIQPKCG-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cn(C)cn1	2223626492	IATOQTFPCBRVOR-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)ccn2)CC[C@H]1N	2223634193	HJKNOKJINZXGPF-SNVBAGLBSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N[C@@H]2CN3CC[C@H]2C3)cc1B(O)O	2223645468	AANIJKHIJLIHEY-GXSJLCMTSA-N	247.107	-0.814	50	10	BBGE	
Cc1cnc(NCc2ccncn2)cc1B(O)O	2223646059	FWKXTTHFZSMOSY-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2c1cc(B(O)O)ccn1	2223671530	NLQFXVXLQBRLTB-PHIMTYICSA-N	247.107	-0.956	50	10	BBGE	
O=C(NO)c1cc(Cl)ccc1B(O)O	2241584972	WLGJDDMAQOTPLQ-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
CSCCOCc1nscc1B(O)O	2242047154	YHVSLNJVEBIYGL-UHFFFAOYSA-N	233.123	-0.298	50	10	BBGE	
C#CC(CO)(CO)NC(=O)CCCl	2242273019	MOUBQWGGVULLBD-UHFFFAOYSA-N	205.641	-0.912	50	10	BBGE	
C[C@@]12CCCC[C@@H]1CN2C(=O)C#CB(O)O	2243356103	BIHWVZIYEASPGW-MWLCHTKSSA-N	221.065	-0.207	50	10	BBGE	
CN(CC(F)F)C(=O)c1cc(B(O)O)c[nH]1	2243362714	VLYOEXMYVBXRSP-UHFFFAOYSA-N	231.995	-0.968	50	10	BBGE	
O=C(N1N[C@H]2CC[C@H]1C2)C1(B(O)O)CCC1	2243363529	IGPLAISFXRXWCR-YUMQZZPRSA-N	224.069	-0.349	50	10	BBGE	
C#C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382414	NZFVRKOVOYDLES-LPEHRKFASA-N	221.065	-0.279	50	10	BBGE	
CC[C@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415533	XFTILXTVVYHPGB-YIZRAAEISA-N	229.085	-0.483	50	10	BBGE	
O=C(NCC=CB(O)O)c1ncccc1O	2243664999	OTBZOBHLWSYVHA-UHFFFAOYSA-N	222.009	-0.915	50	10	BBGE	
C=CCC(=O)Nc1ncc(B(O)O)cc1F	2243685297	RCZZCTQDBRPODI-UHFFFAOYSA-N	224.000	-0.585	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cccc(F)c1=O	2243928888	MOPMVXKRIMZJKI-UHFFFAOYSA-N	235.165	-0.387	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC1COC1	2243989862	YRMPECMRJNIKCA-SNVBAGLBSA-N	229.324	-0.031	50	10	BBGE	
O=C(Nc1cnccn1)c1cscc1B(O)O	2247736703	YUJMNTWXCADJLI-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(NCC1CC(F)C1)c1ccc(B(O)O)o1	2247740859	QOVPBXAIGFPNAP-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
O=C(C#CB(O)O)N(C[C@@H]1CCOC1)C1CC1	2247743653	HAOPHYUKZHTSBN-VIFPVBQESA-N	237.064	-0.971	50	10	BBGE	
CCC1(O)CCN(C(=O)C2(B(O)O)CC2)CC1	2247755359	JJXTZFTYYKCRFT-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
O=C(N[C@H]1CCCCNC1)C1(B(O)O)CCC1	2247757960	SWNLFNPFNHMDHW-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
CCc1conc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247792952	VSSULVWAEROMGL-HTQZYQBOSA-N	238.052	-0.284	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)C2CC(B(O)O)C2)O1	2247797685	MBMXMXGXHQLVEH-SEZDTBSWSA-N	241.096	-0.077	50	10	BBGE	
CCN1CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247804020	DTAOISUPPQUXAI-NXEZZACHSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2247804566	HMHHUDAIFNJZDR-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1B(O)O	2247807002	PPRQACDOHYSSLF-AEJSXWLSSA-N	242.128	-0.304	50	10	BBGE	
O=C(N[C@]12CC[C@H]1CNC2)[C@H]1C[C@H](B(O)O)C1	2247809685	QMCLWQTXRBAPKN-KBIXCLLPSA-N	238.096	-0.892	50	10	BBGE	
CN(C[C@H]1[C@H]2CCCC[C@H]21)C(=O)C#CB(O)O	2247850149	KNOOCWHWDCSKIV-JGPRNRPPSA-N	235.092	-0.104	50	10	BBGE	
C[C@@H](CC(C)(C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247858154	BHFRKNOIFWCKNT-CIUDSAMLSA-N	243.112	-0.095	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)oc2C)CC1	2247867791	MLXMXUHCOQAPJI-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
O=C(N1CC[C@@H](O)[C@@H]1C1CC1)C1(B(O)O)CC1	2247872264	PORXMMLERXDOHO-BDAKNGLRSA-N	239.080	-0.635	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(O)C(C)C)c1	2247873427	JKBJNUPDUUCYQW-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247874860	QFIFURMBMYLUPH-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
COC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247886386	BDVPHOIKEWRBSO-XLPZGREQSA-N	241.052	-0.987	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2247892897	JJBLFDQVFVVYAE-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](CN)C1CC1	2247896133	XILWAGFICNNZLS-OPRDCNLKSA-N	240.112	-0.565	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1cc(B(O)O)ccn1	2248408965	WJNSGPSBADLFDC-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1cocc1B(O)O	2249417384	FPOFCZLCCAZLNT-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
Nc1ccccc1C(=O)NCCC#CB(O)O	2250005642	AJQWJRMESJUTRM-UHFFFAOYSA-N	232.048	-0.596	50	10	BBGE	
CCc1cnn(CC(C)(C)C(=O)NN)c(=O)c1	2250840466	LZGJBPPUKUTTQV-UHFFFAOYSA-N	238.291	-0.178	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ccncc1B(O)O	2255450557	XRDHAFBVXZMMMK-LBPRGKRZSA-N	248.091	-0.320	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21	2255465159	GOLNEIAXPZAQRD-ONYIWYLUSA-N	247.103	-0.105	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ncco1	2255468843	HOJPPPQXSOSIHF-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
O=C(NCC1(n2cccn2)CC1)[C@H]1C[C@@H]1B(O)O	2255562315	UAIHSVAGVJDKIV-IUCAKERBSA-N	249.079	-0.649	50	10	BBGE	
O=C(NCc1cnn(C2CC2)c1)[C@H]1C[C@@H]1B(O)O	2255766924	AVUQFVKDMWGSEO-UWVGGRQHSA-N	249.079	-0.303	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@@H](C)[C@@H]2C)c(B(O)O)c1	2255787674	BMTFLAYEHKZXJS-BDAKNGLRSA-N	248.091	-0.450	50	10	BBGE	
Cc1cccnc1NC(=O)c1cc(B(O)O)co1	2258128943	RVTGZPFBJUOTLT-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC1(Oc2ncccc2B(O)O)[C@H]2CNC[C@H]1C2	2258358272	WEWFHWRLGWIFSO-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)c(O)n1	2258957314	NHQXTYXGWMDZNZ-UHFFFAOYSA-N	248.047	-0.769	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371213	CZBJCNMSPRJWGV-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
COc1cncnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2299344416	JTPBRALTWAOYMZ-RITPCOANSA-N	237.024	-0.713	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCn1ccncc1=O	2300384412	QRXXIRPGJIXCTN-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](C1)NC2)[C@@H]1C[C@@H]1B(O)O	2300828786	QNWOKBWLSKMZOA-DKIAZLNASA-N	238.096	-0.892	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	2302017696	IHTASXLMXOZUTQ-OPRDCNLKSA-N	247.314	-0.203	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	2302061541	SQSKGNCFLTVYEV-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CC[C@](C)(Cn1nccc(C)c1=O)C(=O)NN	2303436955	GSKSZDXJHSDKEL-LLVKDONJSA-N	238.291	-0.042	50	10	BBGE	
C[C@]12C[C@H]1CN(c1cc(B(O)O)c(F)cn1)C2	2303834314	DAZLPSPUHYVOHK-WRWORJQWSA-N	236.055	-0.253	50	10	BBGE	
COc1ccc(CO)cc1OCCC(=O)NN	2304557286	JUWZUWRBMNEAST-UHFFFAOYSA-N	240.259	-0.054	50	10	BBGE	
C=C1COCCN(c2cc(B(O)O)ccn2)C1	2306855605	YOAFQBZJWGKCCK-UHFFFAOYSA-N	234.064	-0.846	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@@H]2C[C@H]1CO2	2312742577	PMCMRRUVTLOKQT-IQJOONFLSA-N	248.091	-0.259	50	10	BBGE	
Cc1ncc(CN(C)c2ncc(B(O)O)cn2)o1	2319957509	HILPDFVBSXBDMP-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
C#CC[C@H]1CCCN1c1cc(B(O)O)c(F)cn1	2320794540	HZXRVCHVJZXKFP-VIFPVBQESA-N	248.066	-0.107	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCC(N)=O	36748870	LFSRFCWHEXOSMF-SCSAIBSYSA-N	221.644	-0.685	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCOCCO	54715380	VVPFLZBUDSSVBF-ZETCQYMHSA-N	209.673	-0.014	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@@H]1[C@H](C)N	63194713	SNLHDWBVMBAYND-WCBMZHEXSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@H](C)OCc1cc(C(=O)NN)no1	69758200	PJCFMYZBLAITPK-ZCFIWIBFSA-N	229.236	-0.170	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CN)C1	82468091	VXFKEJIKMYSOBO-SFYZADRCSA-N	200.286	-0.965	50	10	BBGE	
CCCNC(=O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	93072067	ULGLMGFOJISZOT-BDAKNGLRSA-N	244.339	-0.541	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1CCCCC(=O)NN	104104967	CPNYPZWPOUKSEK-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CC(C)N(CCO)Cc1cc(C(=O)NN)no1	110596821	BZOURCYPEITLSJ-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)CCCl)C1=O	114650205	JEWVDNJNMKUWMA-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
NNC(=O)CCCN1CCCCC[C@H]1CO	125036139	NWHBBPUKEXUADH-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
CC[C@@H](OCCOCCOC)C(=O)NN	125982340	OSYZQXHUJWGTPC-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
O=C1NCCN1S(=O)(=O)CBr	127114547	MRRYASNRQWYXBC-UHFFFAOYSA-N	243.082	-0.306	50	10	BBGE	
NC(=O)OCCNC(=O)CCBr	168515418	FPFVQYDRQHEWEE-UHFFFAOYSA-N	239.069	-0.017	50	10	BBGE	
CC(C)Oc1cc(N(C)C)ncc1B(O)O	200997933	OBUIBLXEKZAWEA-UHFFFAOYSA-N	224.069	-0.385	50	10	BBGE	
CCN(C=O)CCc1cc(B(O)O)ccc1F	208607284	YCHQKLMDALMHRL-UHFFFAOYSA-N	239.055	-0.474	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]([C@@H](C)O)C1	226494858	UPPAQKOHQFWUBA-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CO[C@]1(C)CCCN([C@@H](C)C(=O)NN)C1	230294274	CZCKTTYIBCBMOZ-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CO[C@@H]1CN(CC(=O)NN)CC[C@@H]1C	230357241	IYDBXXCRFMBVAW-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN1C(=O)NC[C@H](Br)[C@H]1N	238337938	JASMPBIMWOUCCK-IMJSIDKUSA-N	208.059	-0.310	50	10	BBGE	
COc1ccc(NC(C)=O)c(B(O)O)c1	238372066	UNGHXCHQUJWQRM-UHFFFAOYSA-N	209.010	-0.667	50	10	BBGE	
Cc1nn(-c2ccccn2)cc1B(O)O	238536911	WJQDWVDADOJXCB-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
N#C[C@@H](I)C(N)=O	238553676	SGSJADQYXFKCHF-UWTATZPHSA-N	209.974	-0.201	50	10	BBGE	
NNC(=O)c1ccc(F)cc1S(N)(=O)=O	238560500	ZFUZYZAZDHLFKE-UHFFFAOYSA-N	233.224	-0.923	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	302480501	YPYBOSJXSMZMII-LMZXYNMPSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCN1CCC(=O)NN	304544163	LHUVIIZGGKKGKW-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
N[C@@H]1CC[C@H](O)[C@@H](Br)[C@H]1O	306153541	BQDSBMUFYKJSPG-MOJAZDJTSA-N	210.071	-0.407	50	10	BBGE	
CN1C[C@H](n2cnnc2CCl)C(=O)N1	307345526	KTCPSBNULXELQI-YFKPBYRVSA-N	215.644	-0.465	50	10	BBGE	
Nc1c(C(F)(F)F)ccnc1B(O)O	307622966	DCGSZYZKHRMATB-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
Cc1nc(CSCC(=O)NN)no1	308370928	KUKLZYXVQNHEMJ-UHFFFAOYSA-N	202.239	-0.399	50	10	BBGE	
NC(=O)C[C@@H](N)C(=O)N1CCSSCC1	308840291	NESXQUVVPWAHNZ-ZCFIWIBFSA-N	249.361	-0.587	50	10	BBGE	
CN(C)C(=O)CNC(=O)NCCCl	379402222	MONGJCVYUXVFLJ-UHFFFAOYSA-N	207.661	-0.387	50	10	BBGE	
NC(=O)[C@H]1CC(=O)C(/C=C/C=O)=C(N)C1	383980396	WQOQIPABAOYUEZ-UGQQDIOTSA-N	208.217	-0.581	50	10	BBGE	
CCOc1c(CCC(=O)O)cccc1B(O)O	396116072	WUGQGYOLMGQGJX-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
Nc1cc2ccc(C=O)c(B(O)O)c2s1	396261835	YQMFUVGOHLPHNL-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CON(C)C(=O)CNS(=O)(=O)CCl	397526732	ICSSTTWTNOKMJA-UHFFFAOYSA-N	230.673	-0.878	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCOC1	398863874	ZVMWVLAGZFXJIY-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(CCCO)CC1	401070075	MVFCCLHATFZHBT-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CN1CC[C@@H](C(=O)Nc2ccc(B(O)O)cc2)C1	404919015	SFBDLUUWUWQHKB-SECBINFHSA-N	248.091	-0.743	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccnc(B(O)O)c2)C[C@@H]1F	404973720	UQACIMLOCPIFMI-OIBJUYFYSA-N	238.027	-0.552	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(B(O)O)cc1	404975712	XGWAPCHBDRXBHJ-UHFFFAOYSA-N	222.053	-0.150	50	10	BBGE	
C=CC(=O)NCCC(=O)NNC(=O)C(C)C	490645576	NVYYMJLDXQLJBG-UHFFFAOYSA-N	227.264	-0.518	50	10	BBGE	
CO[C@@H]1CN(C(=O)CBr)C[C@@H]1O	686248255	KRHYSRZLZPOHBU-NTSWFWBYSA-N	238.081	-0.401	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](CO)C(C)(C)C	689782696	CKVPVLQHMNPKGW-RKDXNWHRSA-N	247.339	-0.670	50	10	BBGE	
CN(Cc1cn(C)nn1)CC(C)(C)C(=O)NN	690442546	VZZFVUISMAXWPL-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]2COC[C@H]21	690716258	HYMNRDHLOJTCLC-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
Cc1nn(CCC2CC2)c(C)c1B(O)O	694277311	SQYXTABHKBORMP-UHFFFAOYSA-N	208.070	-0.020	50	10	BBGE	
Cc1nn(CCCCCC(=O)NN)c(=O)o1	694864955	QEIDMWIDYUNUNA-UHFFFAOYSA-N	228.252	-0.305	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299529	FSDDEVXPVXRRRU-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
N#CC1(O)CCN(CCn2cnnn2)CC1	712536210	ZGVUHWUKFKBWID-UHFFFAOYSA-N	222.252	-0.976	50	10	BBGE	
CC1(C)CCC[C@@H](Cn2cc(B(O)O)cn2)O1	714350361	REDCVHXALKHIBK-JTQLQIEISA-N	238.096	-0.089	50	10	BBGE	
CN(C)C[C@@H](CCl)NCc1nnn(C)n1	716735545	RHXUBBAQICZVHQ-SSDOTTSWSA-N	232.719	-0.531	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](NS(=O)(=O)CCl)C1	845985592	GFADBGAZEABTIZ-SYDPRGILSA-N	226.685	-0.634	50	10	BBGE	
O=C(CC1CC1)NNC(=O)c1cc(O)n[nH]1	854666144	ONCKIHQWMBEHKY-UHFFFAOYSA-N	224.220	-0.324	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cnsn1	894289286	LOZVQHRLHSEBJV-UHFFFAOYSA-N	244.276	-0.276	50	10	BBGE	
CC(=O)NNC(=O)/C(Cl)=C(/Cl)C(=O)O	1088706078	BMNHDMUBTAZFRI-ARJAWSKDSA-N	241.030	-0.073	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H](O)CF	1253593790	HHEIWNBWKAGVFK-RXMQYKEDSA-N	219.665	-0.525	50	10	BBGE	
O=C(NNC(=O)[C@H]1COCCO1)[C@H]1CC12CC2	1265592233	VFNQLBLJNWLNJI-HTQZYQBOSA-N	240.259	-0.651	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)c1ccc[nH]1	1463737909	PKBDPMNDJJKOTK-UHFFFAOYSA-N	234.219	-0.864	50	10	BBGE	
Cn1ccc(NNC(=O)c2cncn2C)n1	1472556519	PCICUFURWCDABP-UHFFFAOYSA-N	220.236	-0.090	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1625913030	VEXAYQGXRNRVHX-RQJHMYQMSA-N	242.279	-0.810	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCNC(=O)NC	1630704788	XUUFPSYXHIXWSF-FPLPWBNLSA-N	240.263	-0.524	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1ncccn1	1639386281	GSEGGPJCBWGDIV-DQZUBPPWSA-N	236.231	-0.825	50	10	BBGE	
Cn1cncc1CCC(=O)NNc1cnnn1C	1651045819	FBHZXEWBKXZCLH-UHFFFAOYSA-N	249.278	-0.376	50	10	BBGE	
N[C@H](CBr)[C@@H]1COC[C@@H]1N	1880036521	UAZXKWRFZMREKC-JKUQZMGJSA-N	209.087	-0.318	50	10	BBGE	
CC(CO)(CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883633714	BDNOJCAKJZOXFG-RITPCOANSA-N	207.657	-0.527	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@H]1Cl	1883639542	NBIUCVPYWOKFQR-JAJWTYFOSA-N	200.669	-0.052	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@@H]2CCCO[C@H]21	1884454272	UFRCRGFVBUBVHL-XLPZGREQSA-N	200.238	-0.976	50	10	BBGE	
C[C@@H](CO[C@@H]1CCCOC1)C(=O)NN	1888721649	QTQLVVARLGUEHF-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCSC1	1891994425	OGOSBEDETOCVOV-RITPCOANSA-N	201.056	-0.618	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)CC(=O)N1	1893474561	KJGBAQKLJMABBK-FSDSQADBSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NCC1CC(Cl)C1	1893509309	LRTPOUGIDJAIKX-UMULYZNJSA-N	220.700	-0.172	50	10	BBGE	
Cc1nccn([C@@H](C)CC(=O)NN)c1=O	1893840715	LCOWHKCPGSVVAI-LURJTMIESA-N	210.237	-0.507	50	10	BBGE	
Cn1nnnc1CN1C[C@H](Cl)[C@@H]2COC[C@@H]21	1894247656	XFZDIZBGOXNMGQ-FXQIFTODSA-N	243.698	-0.352	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@]1(C)CC	1900194311	VUJLSJWIVFHZPI-YWVKMMECSA-N	229.324	-0.010	50	10	BBGE	
CC(C)N(C)C(=O)CN1CC[C@H](B(O)O)C1	1902516225	RCUYGOUANDGYDN-VIFPVBQESA-N	228.101	-0.598	50	10	BBGE	
O=C1C[C@@H](NC(=O)[C@H]2C[C@H]2Cl)C(=O)N1	1905558855	NBUDVUZSMMROOP-VPENINKCSA-N	216.624	-0.855	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@]2(CCOC2)CC1=O	1906951720	UKQMSSFZTOLSAF-GZMMTYOYSA-N	241.291	-0.606	50	10	BBGE	
N[C@@]1(B(O)O)CCOC[C@H]1C(F)(F)F	1916590768	TYABPQZHBPBZRJ-UHNVWZDZSA-N	212.964	-0.705	50	10	BBGE	
CCn1c(C)nn(C[C@@H](O)CCl)c1=O	1923094693	YUVFXDDMPQYYCM-ZETCQYMHSA-N	219.672	-0.027	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]2C1	1927914473	UZFIDIVEAZPQQV-QCLAVDOMSA-N	209.293	-0.046	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)O1	1927914979	AJDXBTXLJKHTKZ-LYFYHCNISA-N	213.237	-0.547	50	10	BBGE	
C[C@@H](OC1(C)CCOCC1)C(=O)NN	1928537139	OHTIXZPPWAVGLB-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](C#N)CC1	1928982950	SAYMFXIYAPTJGV-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](F)C2)CC1	1931258975	JUEFALNABADWGC-SSDOTTSWSA-N	201.245	-0.200	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C[C@@H]1F	1932061315	SGNCILOCNBSBDQ-WDSKDSINSA-N	203.217	-0.817	50	10	BBGE	
COC1(CCl)CN(C(=O)c2cnn[nH]2)C1	1935350219	RJARFDJBNJSNKS-UHFFFAOYSA-N	230.655	-0.116	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@H]1C[C@@H]1C(=O)NN	1936095443	XDPOTCWQCNTJQN-BBBLOLIVSA-N	226.324	-0.752	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)Cn1ccnn1	1937149182	NWSLPDNSXXWOTK-ZCFIWIBFSA-N	246.654	-0.825	50	10	BBGE	
CO[C@H]1COC[C@H]1N1CCC(O)(C#N)CC1	1937393160	JSMMZEHMEXHVNR-ZJUUUORDSA-N	226.276	-0.249	50	10	BBGE	
CCN(C1CN(C)C1)[C@H](C)CCC(=O)NN	1937468423	WEHLNYYDZCYFAI-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1csnn1	1937710123	CYGYHKXLGXXRHD-BQBZGAKWSA-N	243.336	-0.016	50	10	BBGE	
CN(C)NC(=O)N1CCSC[C@@H](C(=O)O)C1	1938832507	IBEAXSKJWBMLEG-ZETCQYMHSA-N	247.320	-0.078	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CCOCC(=O)NN)C1	1939551871	GTWRBAJGZJNHMS-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CN1CCC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941086346	INGPGTANILPKOZ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941288652	QFPQDTGAWUTNKP-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC1)C[C@H]2CO	1944030641	XCHBSOJLRIEBNP-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@H](OCC(=O)O)C1	1947619781	RLKLFTNHFAHOKD-MRVPVSSYSA-N	245.279	-0.262	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H]1[C@@H](CO)C2	1951026611	NQEGZNYZSMTXSZ-NZFPMDFQSA-N	239.319	-0.542	50	10	BBGE	
CC(=O)NCCN(C)C[C@@H](O)CCl	1954820319	FXHXYGSKRQWQOC-QMMMGPOBSA-N	208.689	-0.346	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](N=c2[nH]nco2)C1	1954866032	UQHWENVJSQMJLE-PHDIDXHHSA-N	202.645	-0.175	50	10	BBGE	
CNC(=O)[C@H]1CCCN1C[C@@H](O)CCl	1956256568	QGLGXJPWOOBYMG-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1[C@H]1C[C@H]12)C(=O)NN	1958420736	YIGUMNAETGEDPE-MBGOZMDMSA-N	209.293	-0.047	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@@H](C)C(=O)NN	1960663086	NGJUFIKZNZPYMO-RKDXNWHRSA-N	217.313	-0.439	50	10	BBGE	
OB(O)c1cncnc1OCC(F)(F)F	1961687044	ITFPKRFVKQJHON-UHFFFAOYSA-N	221.931	-0.903	50	10	BBGE	
OB(O)c1csc(N2CCC[C@H]3C[C@@H]32)n1	1961718080	JVZYWIZKGWJXHA-BQBZGAKWSA-N	224.094	-0.188	50	10	BBGE	
Cc1nc([C@H]2CCN2[C@H](C)C(=O)NN)no1	1976769319	YXXMDKSNBJTHLM-IYSWYEEDSA-N	225.252	-0.497	50	10	BBGE	
O=C1CN([C@H]2COCCC2(F)F)CC(=O)O1	1979498237	URDRHJCPGHNCSO-LURJTMIESA-N	235.186	-0.204	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@@H]2CC[C@H]21	1980230129	YVNQJFVTBRFCFV-OPRDCNLKSA-N	226.324	-0.467	50	10	BBGE	
OB(O)c1cccnc1N(C1CC1)C1CC1	1981422138	KHYZPDSDTXBHBH-UHFFFAOYSA-N	218.065	-0.107	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1ncccc1B(O)O	1981423972	MDLKIPHDKZPHHE-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cncnc1	1984241955	VUJNPKSWIMXXJY-MRVPVSSYSA-N	223.280	-0.323	50	10	BBGE	
N=c1nc(CCl)nc(N2C[C@@H]3COC[C@H]32)[nH]1	1987059903	SXWNAIJGENGOPJ-PHDIDXHHSA-N	241.682	-0.142	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cncc(B(O)O)c1	1987770573	IANSAXZLXKMQQN-GMSGAONNSA-N	223.037	-0.825	50	10	BBGE	
Cc1ncc(OC[C@H]2C[C@@H]2F)cc1B(O)O	1987884312	JIJLCFCTIKOLCO-XCBNKYQSSA-N	225.028	-0.193	50	10	BBGE	
CC[C@@H]1COCCN1CC(=O)NNC(C)=O	1990774225	GHCWMTSBVUFABT-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)c1nc(=O)o[nH]1	1991713271	QXGMEALMEPREME-ZPYNKGFJSA-N	245.622	-0.138	50	10	BBGE	
CNC(=O)OC1CN(C(=O)/C=C/C(=O)Cl)C1	1991715561	WEUWJNDELIMEHE-NSCUHMNNSA-N	246.650	-0.125	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(C)[C@@H](C)C1)B(O)O	1992146127	QUQVWQNOOSSCLZ-QWRGUYRKSA-N	226.129	-0.031	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NCC#CB(O)O)O1	1993506581	BGJQRQVGKOVBFQ-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
CN(C[C@@H]1CCCOCC1)C(=O)C(=O)NN	1995180808	WNVOEBIYNJJMBU-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
COCCO[C@H]1CCN([C@@H](C)CC(=O)NN)C1	1996764780	NGUOXDFICHJTSU-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)COC[C@@H]1CCN(C(=O)C(=O)NN)C1	1996907143	VBCRDXZFPLHMIX-SECBINFHSA-N	243.307	-0.503	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12COC[C@@H]1C2(F)F	1998712117	ILVNXGLXQBQDML-FJXKBIBVSA-N	249.261	-0.422	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC3(CCC3)CO2)c1	2001616270	VOGQATGPPMINAI-JTQLQIEISA-N	236.080	-0.478	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CC[C@H](O)C[C@@H]21	2001968019	UHTQSJOWTFBGON-VGMNWLOBSA-N	241.291	-0.872	50	10	BBGE	
CCCOCC1CCN(C(=O)C(=O)NN)CC1	2003793140	PIJCVFZCIPNPLY-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
CC[C@@H]1C[C@@H](C)CN1c1ncncc1B(O)O	2004919559	AOAUWOKSXMFOHP-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
Cc1nc(N2CC3CC2(C)C3)ncc1B(O)O	2004975758	DHHSFNFLIMVRFF-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
COC1(C)CN(c2nc(C)ccc2B(O)O)C1	2005016220	MIUIVBYICGUQDM-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	2006196414	BELWGYRHFOEIKN-GARJFASQSA-N	241.335	-0.175	50	10	BBGE	
NNC(=O)c1cc(CN2CC=C[C@@H]2CO)on1	2007494893	BWJSXPTTZNMJRW-SSDOTTSWSA-N	238.247	-0.989	50	10	BBGE	
CN(C)CCCCN(C)C[C@H]1C[C@@H]1C(=O)NN	2008548890	UOJPKUYPTVSDSK-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2021114654	NGDMWDPETYYQJL-ILWJIGKKSA-N	237.064	-0.924	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccccc1B(O)O	2025727003	OVEXUTZTGGXXFU-UHFFFAOYSA-N	237.039	-0.402	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ccnc(B(O)O)c3)C[C@H]12	2042945199	SRBPRTUJKSFTIW-JWKOBGCHSA-N	246.075	-0.254	50	10	BBGE	
CN(CCN1CCCC1)c1ncccc1B(O)O	2052492540	SZGBFPHTARLQHR-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H](C)[C@@H](C)C2)n1	2052619297	DCUKFXYQHXPTSK-YUMQZZPRSA-N	249.123	-0.135	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1nc(C)ncc1B(O)O)C2	2052627403	LFCPDQCBBGITRL-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cncc(OC[C@]23C[C@H](CCO2)C3)c1	2073403473	FDLQZLYAPLIPLF-WVSHTKLVSA-N	249.075	-0.291	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1B(O)O	2079009780	UJQCZUVPWKTAPG-GDGBQDQQSA-N	245.087	-0.105	50	10	BBGE	
O=C(N[C@H]1CCCOC1)c1ccccc1B(O)O	2079010516	PKEVWQDXGBXYCY-VIFPVBQESA-N	249.075	-0.725	50	10	BBGE	
N#Cc1nccn1CC12CC(C(=O)NN)(CO1)C2	2082594182	LVLFALHVDRUESX-UHFFFAOYSA-N	247.258	-0.706	50	10	BBGE	
CN1CC[C@@H](COCCC(=O)NN)C1	2209885634	JAMWQGKSACBEBB-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
NNC(=O)N[C@H](C(F)F)[C@@H]1CCOC1	2210039033	GNBSATPKFIECMY-UHNVWZDZSA-N	209.196	-0.171	50	10	BBGE	
Cc1cn(Cc2nscc2B(O)O)c(O)n1	2211134786	CETFBHPOMYTHTL-UHFFFAOYSA-N	239.065	-0.918	50	10	BBGE	
C[C@H](COCc1cscc1B(O)O)N(C)C	2211139219	DPQARYUEVPCKTD-MRVPVSSYSA-N	243.137	-0.105	50	10	BBGE	
OB(O)c1csnc1CN1C[C@@H]2CCC[C@H]21	2211141895	YVGUMXVDOFXSDQ-OIBJUYFYSA-N	238.121	-0.193	50	10	BBGE	
CN(C)CCCOC[C@H]1CC[C@@H]1C(=O)NN	2211839714	YCOIXDGCQDBYAW-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1C[C@@H]2C[C@H]2C1	2212278203	NBSDWNMHAOENLQ-IUCAKERBSA-N	225.292	-0.116	50	10	BBGE	
CSCCCN=c1[nH]ccc(B(O)O)c1F	2212605066	XAJIUMITWZUYJD-UHFFFAOYSA-N	244.100	-0.513	50	10	BBGE	
C[C@@H](CC#N)N(C)c1ncccc1B(O)O	2212606661	XWSZBQPIDVFNNY-QMMMGPOBSA-N	219.053	-0.500	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2(CC(O)C2)C1	2215770735	DFHMNMCTRSITOX-PSASIEDQSA-N	239.319	-0.541	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C(C)(C)C(N)=O	2216532052	JRKIMKYKIGBTDB-UHFFFAOYSA-N	242.323	-0.658	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H](O)C2)cc1B(O)O	2217181619	SDJOWZQEXLECMK-BDAKNGLRSA-N	236.080	-0.605	50	10	BBGE	
CCCN1CC(Nc2cc(B(O)O)ccn2)C1	2217183979	PGGISCPJKAFFTN-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
CC(C)(CN)COc1nccc(B(O)O)c1F	2217196747	UIRKRXVDBHEHMD-UHFFFAOYSA-N	242.059	-0.736	50	10	BBGE	
CC[C@@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CO1	2217197520	NGYXLMFYALCPMA-RKDXNWHRSA-N	237.068	-0.864	50	10	BBGE	
CN(C)CC(C)(C)Nc1cc(B(O)O)ccn1	2217198664	DVEZQXZTSOUXOC-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@]23CC3(F)F)c1	2217200768	AZAMLWDOVAWWPI-APPZFPTMSA-N	240.018	-0.029	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]2C(F)(F)F)nc1	2217201156	OJAXKACWBWNAQU-WDSKDSINSA-N	246.985	-0.481	50	10	BBGE	
CC1(CCCn2cc(B(O)O)cnc2=O)CC1	2217403163	CSGOOGQNFADSFH-UHFFFAOYSA-N	236.080	-0.497	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2N1Cc1cccc(B(O)O)c1	2220065388	ZETWRAYATYXONO-VXGBXAGGSA-N	245.087	-0.123	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2CNC[C@@H]2C1	2223636926	NJNLGZDOHAWPRY-MYJAWHEDSA-N	247.107	-0.829	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ncccc1B(O)O	2223646051	FSEWSYXRBKUNFJ-URPMGSGRSA-N	248.091	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CO[C@H](C3CC3)C2)c1	2223665901	IUCJJXHCIBVIEB-QWRGUYRKSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(NCCc2ccccn2)c1	2223670932	FNAFUZMUQKPDDL-UHFFFAOYSA-N	243.075	-0.189	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)C1(B(O)O)CC1	2241473849	RBKPUBOMFIOWJX-NTSWFWBYSA-N	201.006	-0.532	50	10	BBGE	
O=C(NCc1ccon1)C1(B(O)O)CCC1	2243348100	TWNGMQFJPDLCQK-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
CC[C@@H](O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243348172	UVUBDPVJXANZLG-HTQZYQBOSA-N	229.085	-0.341	50	10	BBGE	
CCCCCNC(=O)c1ccc(B(O)O)o1	2243361593	DETJNRPMFGTNBZ-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCOC1	2243363457	GXWPRXOVTCPLFR-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
COCCNC(=O)c1cc(C)sc1B(O)O	2243378511	UWOAMWULGVWXFD-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
O=C(NCCC1(O)CC1)C1CC(B(O)O)C1	2243381897	KCSWFDWASSEVEM-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCNCC1	2243395799	BWQWNIFTELBLNA-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
CCC[C@H](O)CCNC(=O)C1(B(O)O)CC1	2243411408	SOMBXONMGOWPQT-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243414994	MBEZODUWMOHUFK-JBDRJPRFSA-N	227.069	-0.779	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)[C@@H](C)CC)B(O)O	2243433379	LPBKDDZAJSAMBF-CBAPKCEASA-N	249.141	-0.091	50	10	BBGE	
C#CCCC(=O)Nc1cc(B(O)O)ccn1	2243677976	CGQOVJHQOBPLCM-UHFFFAOYSA-N	218.021	-0.887	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@]12C[C@H](CO1)C2	2245217682	YWWMJIGTLWQAIU-CDLYGTGVSA-N	226.276	-0.192	50	10	BBGE	
CC#CCOC[C@H]1CCC[C@@H](C(=O)NN)O1	2245363003	LOMBURBGCQPORJ-ZJUUUORDSA-N	226.276	-0.046	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@H]2C[C@H]2C)n1	2247230778	LMHZPXOJJZDNGY-APPZFPTMSA-N	236.080	-0.385	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccncc1B(O)O	2247721589	GKWONZBYGCKPFM-MTBHXBHISA-N	234.064	-0.854	50	10	BBGE	
N#CC1(NC(=O)c2coc(B(O)O)c2)CCC1	2247723097	QJUJTPQNLZPVQB-UHFFFAOYSA-N	234.020	-0.865	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1coc(B(O)O)c1	2247733566	OHVDVTVKGIENMN-RKDXNWHRSA-N	237.064	-0.266	50	10	BBGE	
C[C@H]1CCN(C(=O)c2coc(B(O)O)c2)[C@@H]1C	2247736076	SEGKFFJSQXTBJL-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1F)C1(B(O)O)CCC1	2247738356	QNULIRXKBYREAD-SFYZADRCSA-N	245.059	-0.373	50	10	BBGE	
O=C(NC1CC(F)(F)C1)c1cc(B(O)O)c[nH]1	2247739253	ZLOVDUWYGONYPC-UHFFFAOYSA-N	244.006	-0.778	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1O	2247742218	MEWQZLVNDKEZJQ-UHFFFAOYSA-N	235.004	-0.645	50	10	BBGE	
C/C=C/CNC(=O)c1cc(F)ccc1B(O)O	2247752185	KKBHFRGWTMCMRE-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783157	ALLLKOLNNHESJF-SSDOTTSWSA-N	237.068	-0.992	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247788332	DDTYIWXLNXTUQE-SSDOTTSWSA-N	235.048	-0.733	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)(C)C2)oc1B(O)O	2247788495	GTQGZNJUGXORFA-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
CC1(C)CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CN1	2247791207	LQZFCDJKOLABAN-XHNCKOQMSA-N	240.112	-0.504	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H](C2CC2)C1	2247798304	SDYMMVVHZDNSCR-OPRDCNLKSA-N	239.080	-0.513	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247806013	CPXPRJCGBDWXJP-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C=CCN(C)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247810088	UQVAPLNOBCEUFW-NXEZZACHSA-N	238.096	-0.822	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1[C@H]2CCC[C@H]1C2	2247872098	MVWVCHLQJDXFHA-IUCAKERBSA-N	235.048	-0.274	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCCOC2)C1(B(O)O)CC1	2247872104	MZSRXMCYTUNPBU-WCBMZHEXSA-N	239.080	-0.321	50	10	BBGE	
C[C@@H](C(F)F)N(C)C(=O)c1occc1B(O)O	2247872671	WXZWPGTWSZBAQA-YFKPBYRVSA-N	247.006	-0.315	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2[C@@H](C)[C@H]2C)oc1B(O)O	2247876787	VRJDTUBBHVMDTC-SRSLHRDFSA-N	237.064	-0.348	50	10	BBGE	
C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2247893136	MVJHKOVBDNNGHQ-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC1CC(CCO)C1)[C@H]1C[C@H](B(O)O)C1	2247897043	NJSTVLBCUKNOSJ-LRHSEUGZSA-N	241.096	-0.483	50	10	BBGE	
Cc1cccnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247897080	NRNXGZWHXGKPEE-RKDXNWHRSA-N	234.064	-0.131	50	10	BBGE	
NNC(=O)C(=O)N1CCC(CCCCO)CC1	2248090212	FYHVXGXZOOIHRJ-UHFFFAOYSA-N	243.307	-0.623	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C)OC[C@@H]1C	2248476752	FPWCNYPZFWFTFR-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248586317	YZXQBVUJTMEVFK-RRKCRQDMSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2248591899	VBSLBPMBIRUMCO-LURJTMIESA-N	243.068	-0.391	50	10	BBGE	
OCc1cc(CN2CCC(B(O)O)CC2)no1	2249359216	WPIJNSDVTUPJLF-UHFFFAOYSA-N	240.068	-0.394	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1cc(B(O)O)co1	2249415927	KPRAUKVVOGAGBB-HTQZYQBOSA-N	241.027	-0.420	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1C(=O)NCCC#CB(O)O	2250006720	OVGMHSQZXYSJFO-MWLCHTKSSA-N	239.080	-0.819	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)o1	2255466906	GEZNUCQOHGDHPQ-JGVFFNPUSA-N	248.047	-0.619	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccoc1B(O)O)C(C)(C)C	2255469304	NIUVLVXQXHEWKX-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H](C)C2CC2)n1	2255487068	JPQMTIDUNPTEGX-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(F)ccc1B(O)O	2255502308	GYODGOZOOWJUDZ-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1c(F)cccc1B(O)O	2255508898	FUUSATBNLRAMJM-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
CCCN(C(=O)c1ncncc1B(O)O)C1CC1	2255519728	AQLAWSKUTMDMKP-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)cn2)C1	2255520798	OQNQCNJIQACODA-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2C2CC2)oc1B(O)O	2255576982	NOIVXBNYSZBUAT-SECBINFHSA-N	249.075	-0.108	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ncccc1B(O)O	2255685986	KJEHAMNZGJSOCZ-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
CC=C1CN(C(=O)c2nc(C)ccc2B(O)O)C1	2255729469	WFMQZOAGYOTNLJ-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
C#CC[C@@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2258135297	DNCYWUHFNZTYQC-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
C#C[C@]12C[C@H](CCN1c1cc(B(O)O)ccn1)C2	2260233852	OZKIYOVDJXSBJF-GSJFWJNXSA-N	242.087	-0.247	50	10	BBGE	
C[C@@H]1CNCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371283	GIKWPXIWEUMOCR-SGIHWFKDSA-N	240.112	-0.646	50	10	BBGE	
COc1ccn(CC(F)(F)C(=O)NN)c(=O)c1	2298953775	XSGZGOVNRNBGDH-UHFFFAOYSA-N	247.201	-0.518	50	10	BBGE	
C#CCC(=O)N1CCc2scc(B(O)O)c2C1	2299773018	AAVISAIISNRRNV-UHFFFAOYSA-N	249.100	-0.664	50	10	BBGE	
C[C@H](COCCCN1CCOCC1)C(=O)NN	2301604533	DHZYDFHHLDEOCE-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
C[C@]1(C(=O)O)C[C@H]1C(=O)N1CC[C@H](B(O)O)C1	2303112051	PAFNSZBQKJLZGC-BYULHYEWSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1cnn(Cc2ccc3nccn3c2)c1	2320587457	UBRXYAXZUIVZGU-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
CC(C)(NS(=O)(=O)CCCCl)C(N)=O	40675551	MBMBBXBCSFTCJX-UHFFFAOYSA-N	242.728	-0.201	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	70193587	NUPSDRLVUVFWIC-QMMMGPOBSA-N	237.215	-0.474	50	10	BBGE	
NCCCSC[C@@H]1CC[C@H](C(=O)NN)O1	85314615	WVOGZMCGWDTSKN-JGVFFNPUSA-N	233.337	-0.394	50	10	BBGE	
O=C1CN([C@@H]2CN3CCC2CC3)CC(=O)O1	111217546	QODRXKRYHSKPEW-SECBINFHSA-N	224.260	-0.534	50	10	BBGE	
NNC(=O)c1occc1Cn1cnccc1=O	111403023	KPRFXIQBARMVHY-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
CC[C@H](C(=O)NN)n1nnc(-c2ccco2)n1	113190377	ZJTDSFHMCDKRQQ-ZCFIWIBFSA-N	236.235	-0.126	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COCC(F)F)O1	131008462	FKVJAOXPFVHFRN-RITPCOANSA-N	224.207	-0.194	50	10	BBGE	
NC(=O)N/N=C1\CCCS(=O)(=O)C1	216432334	RBQZUSODBAGKHX-VMPITWQZSA-N	205.239	-0.781	50	10	BBGE	
C[C@@H](O)CCN(C)C[C@@H](C)C(=O)NN	220008359	JQFJOAZTVBODJU-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
CCN(CCCN(C)C)CCC(=O)NN	230740566	FOHVLNVXGCLLPN-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCCO1	232419736	RGXZAAUSQYIZFI-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1CN(C)CCN1CCC(=O)NN	235471612	CSXGYPRJPYMYCO-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
NC1=NC(=O)N[C@@H](O)[C@H]1Br	238613757	FGHMPDBCSLWBFT-VRKGVYIXSA-N	208.015	-0.851	50	10	BBGE	
Nc1cc2ccc(O)c(B(O)O)c2s1	306741722	UZNXXCMRAHTKAC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1c(O)cc(O)c2sccc12	306873096	WSIUZKHCQSFVGZ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CC(=O)OCC(/C=C/C=O)=N/NC(N)=O	308674233	LDJGIVBVYHPNNJ-AWSPGERNSA-N	213.193	-0.671	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[S@](=O)CC1	321904704	QURQMMFPHDBXMD-ABKXIKBNSA-N	247.364	-0.401	50	10	BBGE	
COC(=O)[C@H](Cl)CNCCn1cncn1	379869682	PYUAWCKZWBERRV-SSDOTTSWSA-N	232.671	-0.352	50	10	BBGE	
CN(CCCCO)CCCCC(=O)NN	384816747	IJRGYUBDIRFNSL-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
CCNC(=S)NNC(=O)CSC	388406579	SYWDGTMDHMPORB-UHFFFAOYSA-N	207.324	-0.135	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(B(O)O)cc1CO	396043641	VYLAXUCSTGVXSP-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(C#N)c1	396108988	NJVUOPLNPNNBDI-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
O=C(O)c1nc2cc(B(O)O)ccc2o1	396124281	ZYLXUQDBZVTKSN-UHFFFAOYSA-N	206.950	-0.794	50	10	BBGE	
CO[C@]1(CO)CCN(CC(C)(C)C(=O)NN)C1	402604020	LYBXDUDNPFDPTA-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
CSCC(=O)NCc1ccc(B(O)O)s1	404910639	IYJGCZRFBFOMFU-UHFFFAOYSA-N	245.134	-0.593	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1CCC1	405044792	YUQYNCKJWQZRSG-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
O=C1NCCN1C[C@@H](O)CBr	575456139	CUWKSIBGYKJEDL-YFKPBYRVSA-N	223.070	-0.233	50	10	BBGE	
N#CCC1CN(C(=O)c2ccc(B(O)O)cc2)C1	585007595	XYGYGRNTTHVANO-UHFFFAOYSA-N	244.059	-0.648	50	10	BBGE	
CN1CN[C@@H]2C(=O)NC[C@H](Br)[C@H]21	605706025	SAJPIGCHMDLUOO-HCWXCVPCSA-N	234.097	-0.891	50	10	BBGE	
C[C@H](CO)CN(C)[C@@H](C(=O)NN)C(C)(C)C	688406492	XYUGMTBPOBZGTM-IUCAKERBSA-N	231.340	-0.049	50	10	BBGE	
C[C@H](O)CN(C1CC1)[C@H](C)CCC(=O)NN	692095616	LUOGTJMSYZWSCQ-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CCN1CC[C@H](N(CC)CC(=O)NN)C1	694922442	LGZZWVQSWKYDEY-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@@H]1c1ccccc1	702030653	PXRUAMMBQKIEIN-ZJUUUORDSA-N	219.049	-0.082	50	10	BBGE	
CN1CC[C@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703449296	QDQAFXVCMLCUQQ-CIUDSAMLSA-N	224.260	-0.393	50	10	BBGE	
CCC[C@H]1CN(CCC(=O)NN)CCO1	708948788	ZEZRZTMDQQMCFN-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
OC[C@@H]1CCCN(C[C@H](O)CCl)[C@H]1CO	709879265	GMPHBRNDJKQAQK-AEJSXWLSSA-N	237.727	-0.349	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@@](C)(C(=O)O)C1	711513340	LITZPAVHAYLGNS-SECBINFHSA-N	231.252	-0.652	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1	711844751	UVLBEIONLSJEAN-BDAKNGLRSA-N	241.291	-0.702	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1ncc(B(O)O)s1	714577897	RGBONIJMQWMZQD-NTSWFWBYSA-N	240.093	-0.905	50	10	BBGE	
CN(C(=O)NN)C1CC(S(C)(=O)=O)C1	716121230	CJQLLCOCQRUCDT-UHFFFAOYSA-N	221.282	-0.923	50	10	BBGE	
O=C(NCB(O)O)c1cnccc1C(F)(F)F	717862251	FPAPIGKHMBLPMF-UHFFFAOYSA-N	247.969	-0.158	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721778505	RBERWFGVTJLMGI-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)[C@H]1CCCOC1	723863232	BEVGLLFGSJSBDD-JGVFFNPUSA-N	229.280	-0.702	50	10	BBGE	
N#CC1=C(N2CC[C@H](O)C2)S[N][C@H]1N	725587648	QAORXBGXKGGPIX-CAHLUQPWSA-N	211.270	-0.661	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](CO)[C@@H](CO)C1	725674115	KKMTYOFYTPCBLM-BWZBUEFSSA-N	221.684	-0.327	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)[C@@H]2CCOC2)CCCO1	754353982	KNWRKZPGGHEHCX-LDYMZIIASA-N	242.275	-0.261	50	10	BBGE	
CC[C@](C)(C#N)C(=O)NNC(=O)c1cnn[nH]1	796184780	QQEATCGTHIYTDT-SECBINFHSA-N	236.235	-0.494	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/[C@H]1CCCO1	819154269	GPQSMROMNVKQTC-SMMXGFFBSA-N	213.237	-0.318	50	10	BBGE	
C[C@H]1CC(=O)N(CCCC(=O)NN)C[C@@H](C)O1	829144559	CYKKWTXMLUOFKX-DTWKUNHWSA-N	243.307	-0.218	50	10	BBGE	
O=C(CO)NNC(=O)C[C@H]1CCC2(CCC2)O1	897313059	TXZLKGQZYHUDNF-MRVPVSSYSA-N	242.275	-0.382	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNC(=O)CC1CC1	1141459241	JNVJHFRTIJFOAR-AATRIKPKSA-N	239.275	-0.422	50	10	BBGE	
CO[C@H](C)C(=O)NNc1cc(C)nc(N)n1	1175008914	XLUHZAJCTUUNRV-ZCFIWIBFSA-N	225.252	-0.155	50	10	BBGE	
COC(=O)C(=O)NN=Cc1nc(C)ccc1O	1318902647	HGORUSYBVJPQKG-UHFFFAOYSA-N	237.215	-0.281	50	10	BBGE	
C=CCNC(=S)NNC(=O)C(=C)CO	1618593588	CETHEJUDYGJFJC-UHFFFAOYSA-N	215.278	-0.784	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc2nn[nH]c2n1	1627016566	KPAKVQHTJMJUAT-UHFFFAOYSA-N	249.234	-0.731	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1CC1(F)F	1634249785	JWNHUIJUIPLNBX-BYPYZUCNSA-N	222.191	-0.440	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)c1ncccn1	1639386335	IQIZQGVTVZSODO-UHFFFAOYSA-N	249.274	-0.645	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@@H]1C[C@H]1Br	1877336942	RLTPLIOCDCQRTG-WDCZJNDASA-N	249.064	-0.684	50	10	BBGE	
NC[C@H](O)CC(=O)NC[C@H]1C[C@H]1Cl	1883563876	OLRGNJQDCHVJEJ-FSDSQADBSA-N	206.673	-0.560	50	10	BBGE	
C=C(Cl)CONC(=O)[C@@H]1C[C@@H]1B(O)O	1886305036	GJXLGTYHRKGMOX-RITPCOANSA-N	219.433	-0.350	50	10	BBGE	
CS[C@@H](C)C(=O)NN(C)S(C)(=O)=O	1888598238	DJHVWXMRPKPMEN-YFKPBYRVSA-N	226.323	-0.340	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(CO)o1	1888889051	JINDYUCLTWHOKC-UHFFFAOYSA-N	215.234	-0.750	50	10	BBGE	
CC(C)[C@H](NC(=O)C(=O)NN)C(F)F	1889100353	RNVCLXNXCHBOEH-BYPYZUCNSA-N	209.196	-0.618	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCF	1892435576	AEJDPYCKVTXCIA-UHFFFAOYSA-N	205.233	-0.555	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCNC1=O	1893417008	JWPCRCARMWJYKO-RXMQYKEDSA-N	216.624	-0.687	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC(O)(C(=O)O)C1	1893469001	DRTDWCTWKCTPBO-UHNVWZDZSA-N	219.624	-0.728	50	10	BBGE	
Cn1c([C@H]2C[C@@H]2Cl)nnc1S(N)(=O)=O	1893471206	ZUIZOAHSJXYDDW-IMJSIDKUSA-N	236.684	-0.443	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)/C=C/C(=O)Cl	1893505580	XGBAAXVRIUWFIF-QQTLEDFYSA-N	221.640	-0.834	50	10	BBGE	
C=C(CN1CC[S@](=O)[C@@H](C)C1)B(O)O	1895096456	CMJMNBGGDFBUEI-RTHLEPHNSA-N	217.099	-0.993	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NN(C)S(C)(=O)=O)CN1	1901340337	CCOKQLJBVFWSJN-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)[C@@H]1CCN1)S(=O)(=O)C1CCC1	1901341361	ULSMXAPMUBIZHO-QMMMGPOBSA-N	247.320	-0.806	50	10	BBGE	
Cc1nc(C#N)ccc1OCC(=O)NN	1910088562	XAWFZIYHVGLPKE-UHFFFAOYSA-N	206.205	-0.370	50	10	BBGE	
C[C@@H](CN1C(=O)[C@@H](C)[C@@H](C)C1=O)C(=O)NN	1912214985	BSRFBSOXCIKOBP-LYFYHCNISA-N	227.264	-0.747	50	10	BBGE	
COc1cc(OC)cc([C@@H](N)B(O)O)c1	1912278039	PTTMBVTWRNPNAK-SECBINFHSA-N	211.026	-0.284	50	10	BBGE	
CC=CC(=O)Nc1ncccc1B(O)O	1913616556	YNOXCGXPWVZKAI-UHFFFAOYSA-N	206.010	-0.724	50	10	BBGE	
N#CC(C(=O)NCc1ccccc1)=C(N)N	1923402657	RQZMJSLOBMMFQL-UHFFFAOYSA-N	216.244	-0.045	50	10	BBGE	
C[C@H]1CN(C(=O)CCl)CC(=O)N1C	1925966342	HVCCLCQLUSPWOH-LURJTMIESA-N	204.657	-0.086	50	10	BBGE	
CC(C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1927914783	YDCLRSVPXXPOGQ-DTWKUNHWSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)CN1C[C@]23CC[C@@]2(COC3)C1	1928822987	MVROOKNHNGGGCW-UWVGGRQHSA-N	211.265	-0.911	50	10	BBGE	
CN(C)S(=O)(=O)N1CC(OCCCl)C1	1932098826	BRKFZBZFYXASFG-UHFFFAOYSA-N	242.728	-0.268	50	10	BBGE	
C[C@@H]1COCCN(CC(F)(F)C(=O)NN)C1	1935925199	IAZPWUUAZZGOPU-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
C[C@H]1CCS(=O)(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1936089753	DWDJITWGHDVHMQ-BIIVOSGPSA-N	247.320	-0.964	50	10	BBGE	
O=C1CCN(C(=O)NC(=O)CCl)CCCN1	1936441178	KNOFGABMLMPXMQ-UHFFFAOYSA-N	247.682	-0.327	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCCC[C@@H]21	1936500196	MJHBTCUCBUNQCJ-CIUDSAMLSA-N	225.292	-0.081	50	10	BBGE	
C[C@H](CN1CCN(C)CC1(C)C)C(=O)NN	1937790203	BQXXDVRKCDKEEA-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@]3(CO)C2)CC1	1938233956	UBIPQEVWBBNJEU-KCJUWKMLSA-N	225.292	-0.929	50	10	BBGE	
NC(=S)NNC(=O)c1cccc2nccn12	1938571512	HLBNSZOFNCJVDG-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
N#Cc1cccn(CC(F)(F)C(=O)NN)c1=O	1940896203	QCRNBHYUSPESSL-UHFFFAOYSA-N	242.185	-0.655	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C[C@H]1C[C@@H]1C(=O)NN	1941088655	RTHKKKHZURFKFR-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)CCOCC(=O)NN)CO1	1941772791	NTEGSRPWJQVAJN-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2OCCO[C@H]2C1	1946396818	KNQVBHAWCBPZHE-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CCC2)CC[C@H]1CO	1946679207	UMPOKHJJUGCKIN-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCOC1(C)C	1948229688	NFTATJVVJUQVIP-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
OB(O)c1ccn(CC2CC3(C2)CC3(F)F)n1	1948665642	QOYUEIIZCYAVRS-UHFFFAOYSA-N	242.034	-0.002	50	10	BBGE	
C[C@H](CN=[S@](C)(=O)N(C)C)C(=O)NN	1956457338	CDNSSYSZHVZMHD-RCNPXXIZSA-N	222.314	-0.813	50	10	BBGE	
NNC(=O)N1CCO[C@@]2(CCOC2)C1	1956611754	QSXAWLDGSVYAQL-QMMMGPOBSA-N	201.226	-0.939	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1958805136	PYGVIVQWLFTYCN-LJASKYJCSA-N	233.695	-0.044	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCCC[C@H]1O	1961675539	CKZDACVNFPLPGB-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CC1CC(n2cccc(B(O)O)c2=O)C1	1975100926	KXZVIKDQHVGMLB-UHFFFAOYSA-N	207.038	-0.501	50	10	BBGE	
CN(Cc1ncon1)CC(F)(F)C(=O)NN	1976755651	LZTPQCGUOYCJQT-UHFFFAOYSA-N	235.194	-0.873	50	10	BBGE	
C[C@@H]1CC[C@@H](CCN(C)C(=O)C(=O)NN)O1	1977029051	BQCUEWXBOMCUKQ-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
COC[C@]12CN(CCC(=O)NN)C[C@@]1(C)C2	1978983099	ZIHBNTKOGVDBFY-MNOVXSKESA-N	227.308	-0.275	50	10	BBGE	
Cn1cc(C(=O)NN)c(COCC(F)F)n1	1980591845	CWYNVDJWKHWLOD-UHFFFAOYSA-N	234.206	-0.195	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	1980723534	UCVBSIICZGLKGR-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
Cc1nc(N(C)C2CSC2)ncc1B(O)O	1981447364	MKDJPIMJKXQXAA-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
CN(C[C@H]1CCOC1)c1nc(B(O)O)cs1	1981471877	MAXKTJPNJRAUPT-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCO[C@H]2C[C@@H]21	1984128729	TUUWRURJHYXUNC-BQBZGAKWSA-N	235.234	-0.525	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCN(C)C(=O)C(=O)NN	1987263322	CCGPUMTWTRTUJS-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1CC(CO)C1	1990037956	CCNSTJZHZMNLFJ-RTBKNWGFSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](COC2COC2)O1	1990164470	NTNMMEWLVWJNEB-IONNQARKSA-N	230.264	-0.671	50	10	BBGE	
CCOCC1CN(CC(=O)NNC(C)=O)C1	1990775875	BSNPWUVOJNPQLK-UHFFFAOYSA-N	229.280	-0.878	50	10	BBGE	
CN1CC[C@](O)(CNC(=O)/C=C/C(=O)Cl)C1	1991714310	FHIAHMMRLYSPLY-PBKGFPTLSA-N	246.694	-0.509	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3COC[C@@H]32)n1	1992340444	ZHSBRWWPPQIGAQ-RQJHMYQMSA-N	240.093	-0.952	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H](CO)CCC12CCC2	1994869283	UYDNGEJCFJPRTK-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ncoc1C	1997726752	KWJMAWNMMKWYRP-VIFPVBQESA-N	242.279	-0.580	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN(C[C@H](C)C(=O)NN)C1	2001046917	SGWMFGODYKQAPP-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2ncnc2C1	2003925400	KSWDRNREFJGGLY-HTQZYQBOSA-N	238.295	-0.892	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2ncnc2C1	2003926975	VMWXSDYHXUEGJL-QMMMGPOBSA-N	238.295	-0.748	50	10	BBGE	
OB(O)c1cnccc1-n1cc(C2CC2)cn1	2004989884	BRSPJJJYJIRKDH-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
C[C@@]1(Cn2cccc(B(O)O)c2=O)CCCO1	2008844949	VASRDNRSLSCJDE-NSHDSACASA-N	237.064	-0.903	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)NC(=O)C12CC2	2014890557	YNFNJILFLZLZCV-HTQZYQBOSA-N	240.307	-0.892	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2020058513	ZGMXLHFFTPUSAO-BWZBUEFSSA-N	245.034	-0.038	50	10	BBGE	
Cc1cccc(O)c1C(=O)NCC=CB(O)O	2020062271	PNNLSSSFKLXXKI-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
C=C(CN1CCN(C)c2ccncc21)B(O)O	2021157255	JSTDSNMENNDCCV-UHFFFAOYSA-N	233.080	-0.094	50	10	BBGE	
C=C(CN1CCOC2(CCOCC2)C1)B(O)O	2021163178	PWWRSVYIMXWOGE-UHFFFAOYSA-N	241.096	-0.564	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccccc1B(O)O	2022196447	MPXPZRKADHVZLB-VIFPVBQESA-N	231.060	-0.635	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1CO	2025431627	HBRQJFZUSPPSAQ-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCc2ccccc2C1	2027573751	PGLZUCIXEDFVSG-NSHDSACASA-N	247.298	-0.008	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@]23CC[C@H]3N)CC1	2052403548	QTHALZLRFPWCCR-CWSCBRNRSA-N	249.314	-0.009	50	10	BBGE	
OB(O)c1cccnc1N1CCN2CCC1CC2	2052491255	JWBXXCHUFGLKGF-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
CCCc1cnn(-c2ncnc(C)c2B(O)O)c1	2052598863	WYANGECFDZOYFZ-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCOC2(CC2)C1	2052623799	MWHHDXZVTFKPKL-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
Cc1nc(OC[C@@H]2CC[C@H]3C[C@@H]32)ncc1B(O)O	2071008870	FILBOESRROFZNU-GUBZILKMSA-N	248.091	-0.110	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NCC#CB(O)O)O1	2210961994	FNSPQWAKDQZBDD-BDAKNGLRSA-N	225.053	-0.924	50	10	BBGE	
CC#CCCCN=c1ccc(B(O)O)c[nH]1	2212603374	FMAUMSDNTASHFZ-UHFFFAOYSA-N	218.065	-0.601	50	10	BBGE	
OB(O)c1cnc(NCc2cncs2)nc1	2212603382	ORRMZOPZIQFNMJ-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CC(C)[C@H](N)CNc1ccc(B(O)O)cn1	2212604335	OFFDXIIPFMZWCW-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3C[C@@H]32)c1	2212604402	VTEUOMNXEHIHME-UJNFCWOMSA-N	218.065	-0.028	50	10	BBGE	
N[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2214593910	ZFRGXZNOASYJPH-GFCCVEGCSA-N	234.108	-0.711	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2215131615	ACECPGKQRKEBEU-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
COC(=O)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217179633	AFODKJYQRRPIKT-ZETCQYMHSA-N	238.052	-0.957	50	10	BBGE	
COC[C@H](C)N(C)c1nccc(B(O)O)c1F	2217185191	YXZMPRZOLWMRTN-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCC[C@@H]2O)nc1	2217185523	YOKGLVHEYMCYAO-ZJUUUORDSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H](CNC1CC1)Oc1ccc(B(O)O)cn1	2217188709	SDPUIEYNCQFRJA-QMMMGPOBSA-N	236.080	-0.719	50	10	BBGE	
CC(C)C[C@@H](CN)Oc1cc(B(O)O)ccn1	2217189913	KEPRDVSCPHRWDP-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CC[C@@H](CCN)Oc1nccc(B(O)O)c1F	2217192251	NAEGHDLHNYAZJU-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)C23CCC3)nc1	2223637448	FWELMCVUHKMAKS-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
C#C[C@@H]1CCCCN1c1nccc(B(O)O)c1F	2223640956	ODOVNKZSADETSQ-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC2(CCC2)[C@H]1O	2223667878	VRBOJYSLYUBXSR-UWVGGRQHSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCC[C@@H]2CCCN2)c1	2223671088	HKNSCNNZNFECNW-NSHDSACASA-N	249.123	-0.873	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C)CF	2241719309	AJMOOHWPHKWLCI-ZCFIWIBFSA-N	205.233	-0.557	50	10	BBGE	
O=C1CN([C@H]2C[C@H](Br)C2)CC(=O)N1	2242408526	TWEHAECNHFROPR-IZLXSQMJSA-N	247.092	-0.129	50	10	BBGE	
CCCC#CCOc1ncccc1B(O)O	2242801746	PDJWEPGUMKNEPL-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)C1(B(O)O)CC1	2243364221	SXEONWMVJJUCTH-CBAPKCEASA-N	227.069	-0.323	50	10	BBGE	
Cc1sc(C(=O)N[C@H]2C[C@H]2C)cc1B(O)O	2243383113	ULOMZCLRBZYCPP-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
C[C@@H](CCO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243390803	BMQWLRHKOUDPPT-CIUDSAMLSA-N	229.085	-0.531	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]1CF	2243400153	WPJYDBAETBUZNY-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1CNC(=O)C#CB(O)O	2243401928	ZETTXHJVHUUTQD-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC(CO)CC1	2243415265	QZETYHGHQOJTFS-DTWKUNHWSA-N	227.069	-0.920	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CC2(F)F)[C@H]1C[C@@H]1B(O)O	2243425673	ATYIUEUNYYRRSE-FEEAIGFJSA-N	231.007	-0.237	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2243752151	GCHLPFLNRZSAKT-UHFFFAOYSA-N	229.041	-0.685	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)[C@@H]1CCCN1	2244507044	GGSQFZDJDQSFKO-JBDRJPRFSA-N	226.085	-0.894	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2246750517	VLXIVMDCOJBJQR-FOGDFJRCSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCCC1CC1)c1ccncc1B(O)O	2247722700	NJUGQSMVFFMDJM-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
C=C[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247734283	GUXAGTQQQLSRBL-VIFPVBQESA-N	235.048	-0.346	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)o1	2247747899	UWEABSQUCDRUOU-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1B(O)O	2247752770	VLGHBYTZRLSDJD-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
C#CCOCCN(C)C(=O)C1CC(B(O)O)C1	2247798318	SHVOJEYEZZJHSO-UHFFFAOYSA-N	239.080	-0.652	50	10	BBGE	
CCN(CC)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247800765	SOAPIAQIZKWXHM-UWVGGRQHSA-N	242.128	-0.303	50	10	BBGE	
CC1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247805331	BIWXBXXGRMOVJK-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1nccn1C	2247806852	GOLKEDYGBLEDCN-XLPZGREQSA-N	237.068	-0.540	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2247808446	KXMPATGIAPXMSH-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1CCNC2(CC2)C1)[C@H]1C[C@H]1B(O)O	2247809479	PKTJFGBNEFAVHG-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)C[C@@H](C)O1	2247846597	JGGSLLHMIPAUCR-MYJAWHEDSA-N	239.080	-0.584	50	10	BBGE	
C[C@H]1CCCC[C@]1(CN)NC(=O)C#CB(O)O	2247848080	GUVLBCXGXREOEQ-GXSJLCMTSA-N	238.096	-0.974	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247872222	OWZWKWDOVMFVBG-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC(F)CC1	2247873904	HAVFMZNUGBSNND-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247895159	PIFDVPWDGFELGU-JBDRJPRFSA-N	245.059	-0.517	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CO	2247896668	IXQRYWHGLONYFO-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
O=C(NCc1cccc(O)c1)[C@@H]1C[C@H]1B(O)O	2247897423	SFGCDCNELUJHRU-NXEZZACHSA-N	235.048	-0.129	50	10	BBGE	
O=C(NCc1ccnc(O)c1)[C@@H]1C[C@@H]1B(O)O	2247897548	URAMZAODFOHASE-SFYZADRCSA-N	236.036	-0.734	50	10	BBGE	
CC[C@H](CCNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248587343	OHRSSQGXROCSOJ-GJMOJQLCSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)[C@@H](CC1CC1)NC(=O)[C@@H]1C[C@H]1B(O)O	2248588972	KMQFKCKBMYXUIW-BWZBUEFSSA-N	241.052	-0.781	50	10	BBGE	
CN(C(=O)CN1CCC(B(O)O)CC1)C1CC1	2249356510	LWXQUQXYZCXRAP-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccccc1O	2250004043	GBOAQHPLGHBSON-UHFFFAOYSA-N	233.032	-0.473	50	10	BBGE	
C[C@H]1CCN(CCNC(=O)C2(B(O)O)CC2)C1	2251734617	XOAIDMZCGKZBPE-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccncc2B(O)O)C[C@@H]1C	2255452031	CKHFASLKUOPQEX-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1cnco1	2255468332	ZKUQBBSAZJSQTR-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cc(F)ccc1B(O)O	2255503464	LAQHGAMRLYDXPA-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1c(C)cccc1B(O)O	2255512809	GITVVNMVGGVHLZ-JTQLQIEISA-N	243.071	-0.477	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2n[nH]cc2B(O)O)C1	2255548234	LNQCGNSGJKHVIG-UHFFFAOYSA-N	249.079	-0.874	50	10	BBGE	
Cc1cccnc1NC(=O)c1cc(B(O)O)n[nH]1	2255551523	YSMHJJKMHOYRFD-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@H]1C1CC1	2255554082	HUYJBMMZJNRFBG-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1CC=CC1	2255694145	WMUYKTNSRCQMJW-UHFFFAOYSA-N	248.091	-0.599	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@H](C)[C@H]2C)c(B(O)O)c1	2255787675	BMTFLAYEHKZXJS-DTWKUNHWSA-N	248.091	-0.450	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)ccc1O	2256017312	QZXSNNPWAWWCJX-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]2CC[C@H]21	2298369942	JNVVIMQZJXVYOS-ZYUZMQFOSA-N	238.096	-0.846	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298370162	QCRFWLDWSBEXCI-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ncc[nH]1	2298371336	IOBHDFWBWWIZJP-BWZBUEFSSA-N	237.068	-0.160	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1CC21CC1	2301400796	LGBQSJLCBKLGOT-IVZWLZJFSA-N	233.076	-0.303	50	10	BBGE	
CC(C)N1CCN(CCOCC(=O)NN)C1=O	2301465968	CUNAMXCKYVUNHG-UHFFFAOYSA-N	244.295	-0.861	50	10	BBGE	
C[C@@H](COC[C@@H](C)C(=O)NN)N1CCOCC1	2301604419	CLEDXXXRKVGJTJ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CCOC[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303853666	WPSNTJQBSXFXDH-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
O=C1N[C@@H](CN2CC[C@H](B(O)O)C2)CC1(F)F	2304496250	FQCWKYFBNKRCDW-NKWVEPMBSA-N	248.038	-0.941	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(B(O)O)co1	2313083473	MSXCZTXLWIJVFM-KHQFGBGNSA-N	247.059	-0.346	50	10	BBGE	
C#CC1CCC(C(=O)NCCC#CB(O)O)CC1	2316524070	JBIAMULNHAPRKL-UHFFFAOYSA-N	247.103	-0.052	50	10	BBGE	
O=Cc1ccc(N[C@@H]2[C@H]3CCO[C@H]32)cc1B(O)O	2317318039	NJMDVYFTKMNVKA-YUSALJHKSA-N	247.059	-0.622	50	10	BBGE	
Cc1ccnc(OCC2[C@@H]3COC[C@@H]23)c1B(O)O	2318950999	DQRPHFUFNASCFY-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
C=CCNC=C(C#N)C(=O)N[C@H](C)C(=O)O	2324972430	BOPLTCRAGHSYHB-SSDOTTSWSA-N	223.232	-0.241	50	10	BBGE	
CN(CCCCC(=O)NN)C1CCNCC1	82470943	HZWXBLSNKXCCQL-UHFFFAOYSA-N	228.340	-0.170	50	10	BBGE	
Cc1cccn(CCCC(=O)NN)c1=O	82471571	OSBXHUQWAZEUES-UHFFFAOYSA-N	209.249	-0.073	50	10	BBGE	
O=C1NCCC[C@H]1NS(=O)(=O)CCl	82513230	JRMMVVSBVIDKJG-RXMQYKEDSA-N	226.685	-0.619	50	10	BBGE	
CCN1CC(=O)N(CCOCCCl)CC1=O	86933655	KTIUUBWPSRHFSD-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(C(N)=O)CC1	93071672	JOSQZXZMLHWMSY-HTQZYQBOSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H](C(N)=O)C1	110568723	QCQPNURXLWYCGO-SECBINFHSA-N	242.323	-0.656	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)[C@@H]2C[C@H]2C1=O	113667834	KIIHULUBAMOLCW-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
CSCC(=O)NNC(=O)c1noc(C)n1	124868025	KDAYTRLYXHOHBS-UHFFFAOYSA-N	230.249	-0.498	50	10	BBGE	
C[C@@H](CCl)C(=O)NC(C)(CO)CO	129128090	XSNLJXPKRKDPFY-LURJTMIESA-N	209.673	-0.279	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@H]1COC[C@H]1C(=O)O	149060489	GWEJJCNORSQJNV-SFYZADRCSA-N	245.279	-0.406	50	10	BBGE	
N#Cc1cccn1C[C@H]1CC[C@H](C(=O)NN)O1	160512719	CKZKXDBBLOPPNQ-NXEZZACHSA-N	234.259	-0.103	50	10	BBGE	
C[C@H](O)CN(C)[C@@H](C)CCC(=O)NN	216474332	ADUCQSGBJUJKHR-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
[C-]#[N+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1	216709131	RLERUFBZLBQJQG-ZETCQYMHSA-N	216.262	-0.449	50	10	BBGE	
OB(O)c1cc(COC2COC2)ccc1F	218892000	DKNGBRQIPLPDQF-UHFFFAOYSA-N	226.012	-0.579	50	10	BBGE	
O=C1CN2C(=O)CC[C@@]2(C(=O)Cl)N1	238547904	YNZCOIXQQJHCRR-SSDOTTSWSA-N	202.597	-0.800	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)ccn2)cn1	238550570	KOSRZQRYGIHQEI-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC[C@@H]1COCCN1[C@H](C)C(=O)NN	251901069	WVCDQWNAGQBESK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COc1ccc([C@@H](N)C(=O)NN)cc1OC	258937779	BZCWEHXZYXGWAZ-SECBINFHSA-N	225.248	-0.307	50	10	BBGE	
CN1C(=O)Cc2cc([C@@H](N)CC(=O)NN)ccc21	259027247	QUUMVMKASLXQRN-VIFPVBQESA-N	248.286	-0.415	50	10	BBGE	
O[C@H]1C=C[C@@H](O)[C@H](O)[C@H]1Br	306522191	PAROLDXMOUZNDL-FSIIMWSLSA-N	209.039	-0.598	50	10	BBGE	
Nc1cc2cc(O)sc2cc1B(O)O	306721151	HQKDVLCXTRLSGX-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1S	307307521	MBRQBJJMZLWZRG-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
COC(=O)CS(=O)(=O)NC/C=C\CCl	308315790	AKOGMKALYVXJEO-IHWYPQMZSA-N	241.696	-0.126	50	10	BBGE	
Cc1nc(OC(C)(C)C)ncc1B(O)O	308885446	GAHVHSNIRJWKOH-UHFFFAOYSA-N	210.042	-0.358	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cncnc1N	309302364	UKTBHUOJXATRQY-UHFFFAOYSA-N	225.208	-0.598	50	10	BBGE	
CO[C@H]1CCC[C@H]1Oc1cncc(B(O)O)c1	310534188	OVFLSKZSDKCZMD-WDEREUQCSA-N	237.064	-0.292	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H]1O	388709918	YKMIUCRFXOCPFV-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
Nc1csc2cc(B(O)O)c(C(=O)O)cc12	396249760	WKXGKIXBFGCRSK-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1cc2ccsc2c(O)c1B(O)O	396345869	QHEXZCVKNYJSOP-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CSSCCNC(=O)[C@H]1CNC(=O)CN1	397762828	ITUFIJKCUMEQIA-ZCFIWIBFSA-N	249.361	-0.798	50	10	BBGE	
CCCC(=O)Nc1ccnc(B(O)O)c1	404994690	GMUCVTMZJJNSLH-UHFFFAOYSA-N	208.026	-0.500	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2COC[C@H]21	690713862	FYNWPDOPYCZLLS-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
O=C(COc1cccc(F)c1)NCB(O)O	702029960	LHMNJNRXUUXWMR-UHFFFAOYSA-N	227.000	-0.667	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)[C@H](C)C(=O)NN)CCO1	705869848	QMJOGBMLHCMMES-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
C=CCS(=O)(=O)N1CCC(O)(C#N)CC1	709376737	RFDWIDKSZNGTHL-UHFFFAOYSA-N	230.289	-0.147	50	10	BBGE	
CN1CC[C@@](C)(N2CC(=O)OC(=O)C2)C1	716074373	BKLQHCHSNAJCQN-SNVBAGLBSA-N	212.249	-0.534	50	10	BBGE	
Cn1nncc1NNC(=O)[C@@]1(C)CCCO1	816771312	HVKBDVZQZKFEGS-SECBINFHSA-N	225.252	-0.173	50	10	BBGE	
CC[C@H](C(=O)NNc1nnc(C)n1C)[C@H](C)O	857330470	JRNYWRSUPNIJDE-XPUUQOCRSA-N	241.295	-0.026	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)COCC(F)F	910139806	MGQMIPAOPYIJLL-ZCFIWIBFSA-N	226.223	-0.388	50	10	BBGE	
Cc1ncc(CC(=O)NN(C)C[C@@H](C)O)o1	910182073	HNIZCRRPIBVQQP-SSDOTTSWSA-N	227.264	-0.131	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2cnn[nH]2)CC1(F)F	1136677069	BJOYTIMRVJDXCB-SSDOTTSWSA-N	245.189	-0.389	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ccc(O)cn1	1154457227	SHWORWYUMJXJSZ-UHFFFAOYSA-N	239.231	-0.681	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNc1ncccn1	1290672874	CQVDYLRBWYBCOJ-IWQZZHSRSA-N	245.246	-0.232	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/c1ccncn1	1320128897	UYQONPBIKOTWNM-NSCUHMNNSA-N	221.220	-0.550	50	10	BBGE	
O=C(CO)NNC(=O)C1(CF)CCC1	1346094561	ZMMGIHFLGINMGK-UHFFFAOYSA-N	204.201	-0.734	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)c1ccnnc1	1570431275	YIDCVKAPKYERMO-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1cc[nH]n1	1640344932	FYGKJRBVMHRKFO-XQRVVYSFSA-N	224.220	-0.279	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@H](NC[C@H]2C[C@@H]2Cl)C1	1877380060	KUFZAXCYWOYPAI-ULAWRXDQSA-N	239.724	-0.639	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCB(O)O	1880032972	ZKWHTVCBUMHDMZ-ZCFIWIBFSA-N	246.072	-0.972	50	10	BBGE	
C[C@H](Br)C(=O)NCC[C@H](O)CO	1880868351	HYMOKDAHVZJOQF-WDSKDSINSA-N	240.097	-0.371	50	10	BBGE	
CC(C)[C@@H](SC1CNC1)C(=O)NN	1882119939	DXFZSOZUPTZIIP-SSDOTTSWSA-N	203.311	-0.294	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@H]1C[C@H]1Cl	1883635482	XWQLSUASZFXKOV-NTSWFWBYSA-N	201.609	-0.182	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2OC(=O)N[C@@H]2C1	1884553576	JVHSYQUSLOZWLB-PBXRRBTRSA-N	218.640	-0.067	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1888652476	PYFFISRXMXECIR-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCC#CCO	1892469955	MKBYYDGUMTXUDU-SNAWJCMRSA-N	215.636	-0.190	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1893473985	CRKVSXYCLQXWCL-NGJCXOISSA-N	221.640	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2CC[C@@H]2C1	1897038647	IGCKULPDETYDIX-VHSXEESVSA-N	225.292	-0.114	50	10	BBGE	
C#CCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1	1902511200	GVUJKPBRFKQQHO-SECBINFHSA-N	245.109	-0.722	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@H](F)C2)c1	1904938091	XJUXCIAIVSFCHB-XWEPSHTISA-N	225.028	-0.112	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@@H]21	1907866268	JKBCDJIKMCBWHL-JLIMGVALSA-N	241.335	-0.154	50	10	BBGE	
CC[C@@H]1CCN([C@@H](C)C(=O)NN)CCO1	1913634559	LRLLDVWZTOOXAU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1(CO)CCC1	1915001819	DWWSZAFFMGBUFV-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C1(CO)CCC1	1915004862	OFVXUOQHRUVWDN-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)C(F)(F)F	1923420855	OABZILVCPLOHCA-UHFFFAOYSA-N	214.143	-0.533	50	10	BBGE	
C#C[C@@H]1CCCN1CC(=O)NNC(C)=O	1928162832	SWQQSXMVXUYANB-SECBINFHSA-N	209.249	-0.749	50	10	BBGE	
CCC1(C)CN(CCOCC(=O)NN)C1	1928179494	QMAALKZCWFFZNN-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
O=C(CCCl)N1CCOC[C@H]1[C@H](O)CO	1928573816	OLRZFCBPWUJDKS-JGVFFNPUSA-N	237.683	-0.804	50	10	BBGE	
C[C@@H]1CCN(C(=O)NN)[C@H]1C(=O)N(C)C	1928671212	HRFDSKOXDNIITH-RNFRBKRXSA-N	214.269	-0.632	50	10	BBGE	
NNC(=O)N1CC[C@H](O)C(F)(F)CC1	1930422787	PGBHFHVGTVYJPN-YFKPBYRVSA-N	209.196	-0.338	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)OCCl	1932514277	WQHIDRLBZWZDBM-SCSAIBSYSA-N	230.673	-0.414	50	10	BBGE	
CC(=O)N(C)Cc1scc(C)c1B(O)O	1935214003	KXKAKSDBGHRIBR-UHFFFAOYSA-N	227.094	-0.285	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H](C(F)F)C1	1936528925	JEWYWCKIELLDRA-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1COCC[C@@H]1Cl	1937160218	RVMOXEMWBSZDMB-BQBZGAKWSA-N	245.670	-0.814	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940643730	KZXKDFIXQAAXAL-NXEZZACHSA-N	241.335	-0.295	50	10	BBGE	
CCN1CC(CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941085729	FKUGBFVEFBDTDU-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)CC[C@@H]1O	1941784375	OIYLJBSLBIRCAY-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
C[C@@]1(O)CCNC[C@H]1N1CCC(O)(C#N)CC1	1942973195	BTSMAOMGFZGSSA-GHMZBOCLSA-N	239.319	-0.550	50	10	BBGE	
C[C@@H](O)C1CCN(CC2(C(=O)NN)CC2)CC1	1945883065	SSIUWDUNKPRZBJ-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CCOC[C@H]1N(C)CCOCC(=O)NN	1947197463	AAZQWOQMBVNUCQ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@H](CO)C1	1948808091	XJTIJPIAPNLOKJ-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
N[C@H]1CCN(CC(=O)CBr)C1	1953308703	BCCHFPOMYGHHEA-LURJTMIESA-N	221.098	-0.017	50	10	BBGE	
NC(=O)NC1CN(C(=O)CCCl)C1	1954684793	YMHWNQXCETVAAP-UHFFFAOYSA-N	205.645	-0.506	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(F)F)C(=O)C(=O)NN	1958562431	BFDNNMRLGFUCHM-RFZPGFLSSA-N	221.207	-0.664	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2CC(C2)C1	1959797256	KLLGDBKDRLHQBA-HACHORDNSA-N	213.281	-0.667	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)CC1(C)C	1961394897	XJARFPDTJDEXBV-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
CC1(F)CN(c2ccc(B(O)O)cn2)C1	1961689893	FWRAMGBJQLIOAC-UHFFFAOYSA-N	210.017	-0.690	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(F)(CO)C1	1961737061	HFYGPYNIWWQIOB-SSDOTTSWSA-N	219.260	-0.839	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1962372534	GGOPBPJTKJKUGF-PFQXTLEHSA-N	233.695	-0.044	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)cc2)CCC1	1970113731	XZRZEFIMAFGXMB-UHFFFAOYSA-N	243.071	-0.348	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CCC(B(O)O)CC2)CO1	1971372985	PTMHORCGMRELNE-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CC1(Cn2cc(B(O)O)ccc2=O)CC1	1975101387	RFRFRZWQJWKTOM-UHFFFAOYSA-N	207.038	-0.672	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(F)(F)C[C@@H]1CO	1976196590	CVPUZBDBQUVMEG-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@H]2C[C@@H]21	1980229628	URUQJJVDHBKVIR-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@@H]2C1	1981423314	BUZZGTWJOJRBSC-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
CC[C@H]1CCN1c1ncnc(C)c1B(O)O	1981446459	YTUXSRMBHGRKEC-QMMMGPOBSA-N	221.069	-0.546	50	10	BBGE	
COC(=O)c1nnn(C[C@@H](O)CO)c1CCl	1988545767	YDAHEGXBHMBHKN-RXMQYKEDSA-N	249.654	-0.843	50	10	BBGE	
NNC(=O)N1CC[C@]2(O)CCCC[C@]2(O)C1	1989820952	HXQXEDLJULFOAU-ZJUUUORDSA-N	229.280	-0.688	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncncc1B(O)O	1993081567	SEQVDHQMLAISSR-JGVFFNPUSA-N	222.053	-0.419	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	2001533684	BEZHTYXQRTUVEF-NAKRPEOUSA-N	241.335	-0.031	50	10	BBGE	
Cc1ccnn1Cc1c(C(=O)NN)cnn1C	2003505608	FABBHPXCRXFMGF-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
CCN(c1ncncc1B(O)O)[C@@H](C)COC	2004914932	UCXJOPHJXLVENZ-QMMMGPOBSA-N	239.084	-0.982	50	10	BBGE	
Cc1ncnc(N2CCC(F)(F)C2)c1B(O)O	2004972201	BTIWAKVUANJAMP-UHFFFAOYSA-N	243.022	-0.690	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3C[C@H]32)n1	2005017552	HCLNPIVBLMTBIF-DTWKUNHWSA-N	233.080	-0.628	50	10	BBGE	
C[C@H](CN1CC2(CCC(O)CC2)C1)C(=O)NN	2010502533	VYRQPJGCWFEEJI-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@@]1(C)OC	2023277649	BHDSQSZUUDYGEA-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CC1(F)CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023852141	DMBHUWPEELMPNE-XYPYZODXSA-N	243.282	-0.431	50	10	BBGE	
CN(Cc1ccccc1B(O)O)c1cnn(C)c1	2051203967	LRGHXFOYEVQCLU-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2052463200	SYCDEXNOSNFVKB-GWOFURMSSA-N	244.103	-0.148	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCc1ccccn1	2058154655	GEXXLYBIOLWWCZ-UHFFFAOYSA-N	244.059	-0.834	50	10	BBGE	
OB(O)c1cncc(OCC23CC(CCO2)C3)c1	2058955117	FDLQZLYAPLIPLF-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
OB(O)c1ccn(Cc2ccc3cncn3c2)n1	2067578009	RZRSAMFYRRKMME-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
C=C(CN(C)Cc1cccn2nncc12)B(O)O	2077484763	YYBNPJLXORTKJW-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
Cc1nccn1CC(=O)N1CC[C@@H](B(O)O)C1	2208731535	HMXLHRUHMMJHLO-SECBINFHSA-N	237.068	-0.733	50	10	BBGE	
CCN([C@H]1CCC[C@H]1O)[C@H](C)CC(=O)NN	2210163885	HFDDQLULUDIPLC-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
Cn1nccc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)c1=O	2211120071	ZBKSKCDMSZYLME-NTSWFWBYSA-N	241.634	-0.872	50	10	BBGE	
COC(=O)NCc1sc(C)c(C)c1B(O)O	2211932690	KRFSSTYBEVSISY-UHFFFAOYSA-N	243.093	-0.099	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)[C@H](C)CN1C	2212071057	PEZYOEKFMKSUPJ-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(F)C1	2212301575	QGPSTRGLXDILKE-NQMVMOMDSA-N	231.271	-0.575	50	10	BBGE	
CCO[C@H](C)CNc1cc(B(O)O)ccn1	2212604277	VNPSDNIPYQCTNG-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
COC[C@H](C)COc1cc(B(O)O)ccn1	2212609307	QATNWHMAFPEDNC-QMMMGPOBSA-N	225.053	-0.577	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2216540173	MKZAHOZKXRIGRP-ILWJIGKKSA-N	232.092	-0.004	50	10	BBGE	
Cc1cnc(OCCC2(N)CC2)cc1B(O)O	2217173823	QVHAYDGJNAUTND-UHFFFAOYSA-N	236.080	-0.670	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC[C@H](O)C2)c1	2217178862	BRXCDTQVZBJCQA-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
CC1(C#N)CN(c2nccc(B(O)O)c2F)C1	2217178983	DHUWFGYEBZQZOG-UHFFFAOYSA-N	235.027	-0.750	50	10	BBGE	
CNCC(C)(C)Oc1cc(B(O)O)c(C)cn1	2217182797	GYKWWJZQCBLBGQ-UHFFFAOYSA-N	238.096	-0.553	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccon1	2217198582	CXAGRFGXZVEZNF-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Nc1ncccc1B(O)O	2217200965	BQCZVKXUFYMMNC-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnn(C)c1CNc1cc(B(O)O)ccn1	2223636246	HRFFKIAIWSRHDR-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@H]1Oc1ncccc1B(O)O	2223652747	LCXBYWTWOIRGSO-UWVGGRQHSA-N	248.091	-0.590	50	10	BBGE	
Cc1ccnc(CNc2ccc(B(O)O)cn2)n1	2223679252	NBQSEWQUNIEQIY-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CCOC(=O)c1cc(C)c(B(O)O)s1	2241492973	HYYHJWKGCOJXOL-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccsc1B(O)O	2243359984	ZFIPUIWKHWTBHF-PHDIDXHHSA-N	237.089	-0.434	50	10	BBGE	
C#CCN(CC)C(=O)c1csc(B(O)O)c1	2243362513	RYIYUGNBUPLJEG-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)sn1	2243377872	IKRZZIYICDTSAX-ZCFIWIBFSA-N	238.077	-0.871	50	10	BBGE	
C#CCOCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243392675	WBAWUQKFJIXQNP-KYZUINATSA-N	225.053	-0.995	50	10	BBGE	
CC(C)N(CCO)C(=O)C1CC(B(O)O)C1	2243395851	CQQFQLGIAHGDQW-UHFFFAOYSA-N	229.085	-0.531	50	10	BBGE	
CC1(CO)CN(C(=O)C2CC(B(O)O)C2)C1	2243397360	ZQSMLGWAWDUNBY-UHFFFAOYSA-N	227.069	-0.920	50	10	BBGE	
O=C(NCC1(CO)CC1)C1CC(B(O)O)C1	2243404260	LKXFRCAGCIVXEM-UHFFFAOYSA-N	227.069	-0.872	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC=C(C)C1)B(O)O	2243434295	WSJHOKTYOLUNNK-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
C[C@H](O)C(=O)Nc1cc(Cl)ccc1B(O)O	2243666001	XPEVHOZWOBKZEW-YFKPBYRVSA-N	243.455	-0.661	50	10	BBGE	
CCNCCOc1cc(B(O)O)c(Cl)cn1	2245913425	RDPWKZXMACTPLT-UHFFFAOYSA-N	244.487	-0.597	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1coc(B(O)O)c1	2247733741	PMDKSJIDFIVUMA-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
N#CCc1ccc(NC(=O)C#CB(O)O)cc1	2247740960	SBRAOGSQOWLYBX-UHFFFAOYSA-N	228.016	-0.293	50	10	BBGE	
CN(CCF)C(=O)c1c(F)cccc1B(O)O	2247752556	RJRQOUKRNRARGH-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1occc1B(O)O	2247757273	QBUHIHPVSOHWGA-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
O=C1CCCN1C(=O)c1cccc(B(O)O)c1	2247775763	PRFXAVOBUAXSDY-UHFFFAOYSA-N	233.032	-0.871	50	10	BBGE	
COC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C	2247799671	GSIRGPLKPLRSPU-UTINFBMNSA-N	241.096	-0.410	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247805307	BDQUTSZOXVLRAN-KATARQTJSA-N	240.112	-0.552	50	10	BBGE	
CCC[C@]1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810015	TUVKDBDUUQZSDK-YWVKMMECSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2247859847	QEZWADFDFSVDMD-XKNYDFJKSA-N	241.096	-0.341	50	10	BBGE	
C=CCCN(C)C(=O)c1ccc(B(O)O)cn1	2247868786	IDWIHGMMJPICRF-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
O=C(N[C@@H](CO)CC1CC1)C1(B(O)O)CCC1	2247878799	NJKPAAXLVFMMSZ-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
O=C(N(CCCO)C1CCC1)C1(B(O)O)CC1	2247880313	ZDBXPITXNBIPJE-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
CCC(C)(C)NC(=O)c1nccnc1B(O)O	2248050013	WSBMBCNKJBHYOK-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C(=O)O	2248575554	BAHWCTBRPJSDMA-XAMCCFCMSA-N	241.052	-0.829	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1ccc(B(O)O)cn1	2248692482	NRJXHQLJPXPYPZ-WPRPVWTQSA-N	232.092	-0.004	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)co1)C(C)C	2249433086	HNAPDVWIEZUBEO-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)cn2C2CC2)C1	2255501593	CJXBGUGRSWARSG-UHFFFAOYSA-N	246.075	-0.485	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC=CCC1	2255504436	RKZQYSLMJCGFDU-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
CC1=C[C@H](NC(=O)c2ccc(B(O)O)cn2)CC1	2255515324	WFECZWMEPJHOQH-SNVBAGLBSA-N	246.075	-0.400	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1c[nH]nc1B(O)O	2255551037	RTBQCLOXKPCUTA-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)nnc1C	2255561039	CNKYVRFFUHHILO-UWVGGRQHSA-N	249.079	-0.427	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1ccoc1B(O)O	2255715174	BPBKWJNFJGQOPS-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
CC1=CCN(C(=O)c2cccc(F)c2B(O)O)C1	2255720478	OPXQLSZFSSNMEY-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2CC23CC3)c1B(O)O	2255730203	IPUXWTVCRHNDTR-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1coc(B(O)O)c1	2255733407	KMUAWHJCYLGOMG-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CC[C@@H]2C[C@@H]21	2256017706	TZXYWOLLDMAOLC-XCBNKYQSSA-N	247.059	-0.694	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2297961221	NHNOZTHSHZXFBC-RCWTZXSCSA-N	241.335	-0.296	50	10	BBGE	
CO[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1F	2298164569	UAMZIQFTAMQKEF-XKNYDFJKSA-N	245.298	-0.329	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368588	NJBGGXHVCFBDQL-LALMQGGXSA-N	239.080	-0.467	50	10	BBGE	
CO[C@@H](C1CC1)[C@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2298369617	ACTDSKPXRAJGLY-JZKKDOLYSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)[C@@H]1C	2298369787	FMQHXBSTHUTOKL-ANZWQOBJSA-N	239.080	-0.121	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CCCO[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2298370398	YCDCAKSPPKWBHK-WYCDGMCDSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)[C@H]1C[C@H](B(O)O)C1	2298370823	NJSTVLBCUKNOSJ-DFLMOOGLSA-N	241.096	-0.483	50	10	BBGE	
C[C@@]12CCC[C@H]1C(=O)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298376169	LHRHTOXNNWWPFB-OFHVYEONSA-N	237.064	-0.223	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CN[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298376657	HMFLZLDDPKXEJZ-ZJDVBMNYSA-N	238.096	-0.894	50	10	BBGE	
OB(O)c1ccnc(NCCc2ncco2)c1	2300993335	KNBOTJBVVDPFFL-UHFFFAOYSA-N	233.036	-0.596	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C[C@@H]1C[C@@H]1C(=O)NN)C2	2301478925	JXTWTPXIZDIVHN-LNGZZDABSA-N	239.319	-0.542	50	10	BBGE	
OB(O)c1ccc(OCc2ccncc2)nc1	2301850345	IXIXKGFHRKJMRL-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(CC(N)=O)C1	2302061762	VQTPIELISSKRQP-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1	2303107915	CGZCORHKTFUHMP-UYAYMFIHSA-N	239.080	-0.656	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CCCC(=O)N2)C1	2303120574	KWWGHSFMISMKCZ-GXSJLCMTSA-N	240.112	-0.406	50	10	BBGE	
COC[C@H](CF)Nc1cc(B(O)O)c(F)cn1	2303834671	JWUMWGVBAXLUHB-LURJTMIESA-N	246.022	-0.703	50	10	BBGE	
COC(=O)NC1CN(CCCCC(=O)NN)C1	2306914184	GWNXEZPKCNSAFV-UHFFFAOYSA-N	244.295	-0.813	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3O)nc1	2312612180	FWMLXCBEOWXURX-UUTMEEIUSA-N	248.091	-0.667	50	10	BBGE	
CO[C@H]1C[C@@H]1CNc1ccc(B(O)O)cc1C#N	2317163002	NHPDZCFLHPSHID-SKDRFNHKSA-N	246.075	-0.315	50	10	BBGE	
C[C@@]1(Nc2ccc(C=O)c(B(O)O)c2)CCOC1	2317352153	URPASTCADASCIS-GFCCVEGCSA-N	249.075	-0.230	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)C[C@@H](C)S1	70559595	NHLKIWDJFKCPKB-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](N)C1	82470165	VGJVQXPYANUBKV-YUMQZZPRSA-N	200.286	-0.822	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1nnc(N)n1C	86314123	RDDWTRMPCLZHAB-RFZPGFLSSA-N	244.324	-0.496	50	10	BBGE	
CCOCCC(=O)NNC(=O)CSC	89994622	IUAJDIVCNFACQW-UHFFFAOYSA-N	220.294	-0.077	50	10	BBGE	
O=C(NNC(=O)c1c[nH]nn1)c1ccsc1	104644706	PTXWRTUFTZRTPZ-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
COCCOc1ccc(F)cc1B(O)O	197958297	WBLKLBKRRMTRMN-UHFFFAOYSA-N	214.001	-0.469	50	10	BBGE	
CCC[C@@H](Sc1nnc(N)n1C)C(=O)NN	211728375	NWMCPASPZXNODG-RXMQYKEDSA-N	244.324	-0.352	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCOCC2)O1	216316344	BQRIXZVRAJMQLH-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CC[C@H]1COCCN1[C@H](CC)C(=O)NN	216473524	NSUJJBJHGAVQLY-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](OC)C1	232420907	HBTNFJDUUASXIJ-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
O=C1CN(c2nnc(CCl)o2)CC(=O)N1	236022819	WTWCAJKAUKPKQO-UHFFFAOYSA-N	230.611	-0.729	50	10	BBGE	
COC(=O)[C@H](O)[C@H]1C[C@@H](Cl)C(=O)O1	238802255	SUFXXMJBALNFME-UOWFLXDJSA-N	208.597	-0.557	50	10	BBGE	
O[C@H]1CCN(C[C@@H](O)CBr)C1	252737535	CACMIHHOPCKPKR-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
CNNC(=O)Cc1ccc2c(c1)NC(=O)CO2	258926911	ABRDYKLXTIHUME-UHFFFAOYSA-N	235.243	-0.189	50	10	BBGE	
C[C@H]1CN(C(=O)CBr)CC(=O)N1	306610792	BUBQKORQHIAYCO-YFKPBYRVSA-N	235.081	-0.272	50	10	BBGE	
O[C@@H]1[C@H](F)O[C@H](CCl)[C@@H](O)[C@@H]1O	307516929	TWUKFHBIOCRRBD-RWOPYEJCSA-N	200.593	-0.998	50	10	BBGE	
NNC(=O)c1coc(CN2CCCC2)n1	386658234	LZKHZEBFHLRMLA-UHFFFAOYSA-N	210.237	-0.126	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394361330	ABWBCIWXCFREHM-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CNC(=O)CSCCC(C)(C)C(=O)NN	395708174	MDPRBWOMZWYHRU-UHFFFAOYSA-N	233.337	-0.128	50	10	BBGE	
Nc1sc2c(B(O)O)cccc2c1C(=O)O	396235026	AEPNKGOTJMXONG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CCOC1	398959624	YAHAHRIFUWQMER-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[S@@](=O)Nc1cc(B(O)O)ccc1Cl	404890180	XMWBQSVVKAVTTC-CQSZACIVSA-N	233.485	-0.275	50	10	BBGE	
C[C@H](NC(N)=O)c1ccc(B(O)O)cc1	405190578	UJYMSZYHHPRVAB-LURJTMIESA-N	208.026	-0.904	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C\c1cnccn1	491318531	FWFCJVUBRWKAAG-ARJAWSKDSA-N	235.247	-0.160	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCOC[C@H]1Cl	575467122	AMPSBIZFEZUDEN-PHDIDXHHSA-N	213.686	-0.068	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1CN(C)C2	687259493	OBWRORCTYDECPI-ZNSHCXBVSA-N	240.351	-0.221	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccc1C	690066192	LVWCRVNNEKVOMU-ONGXEEELSA-N	249.075	-0.352	50	10	BBGE	
N#CCS(=O)(=O)N1CCC(O)(C#N)CC1	692122286	QMXPWFBHJRNSRP-UHFFFAOYSA-N	229.261	-0.810	50	10	BBGE	
COC[C@@](C)(N)C(=O)N1CCC(O)(C#N)CC1	692131323	BZLGNRVTDIJTBR-SNVBAGLBSA-N	241.291	-0.773	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CNC[C@H]2C3)CC1	693293602	PKBNJTAVCHWOCP-BXKDBHETSA-N	235.287	-0.527	50	10	BBGE	
Cc1cn(Cc2ccc(C(=O)NN)cn2)c(O)n1	699590057	LIKQCYWIEINUEY-UHFFFAOYSA-N	247.258	-0.056	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(N2CCC2)CC1	700434403	AWCFGXJPIOQKHJ-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
NC(=O)NNC(=O)CCc1ccccn1	700859912	RINPFKFLZJHMQS-UHFFFAOYSA-N	208.221	-0.286	50	10	BBGE	
COC[C@H](O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703452986	XAMPZNFEMPXRCL-VGMNWLOBSA-N	243.259	-0.700	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H]1COC[C@@H]1O	708125054	RWWGAFCWXKFEIV-UTLUCORTSA-N	245.323	-0.918	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COCC[C@H]1Cl	711015506	OYTQMTADKICRAQ-RNFRBKRXSA-N	242.728	-0.221	50	10	BBGE	
CC[C@@H](C)C(=O)NCc1ncc(B(O)O)s1	714611088	QJJFWEADNZPLOH-ZCFIWIBFSA-N	242.109	-0.515	50	10	BBGE	
CN(C)NC(=O)[C@@]12CCOC[C@@H]1CNC2	715421297	KNXDRMFSGNLUIE-WCBMZHEXSA-N	213.281	-0.795	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H]1CO2)C(=O)NN	718287137	RVARRTZHFJVNDO-YUMQZZPRSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=O)[C@H]1CCCO1	720572470	RYUQSUVSPMVRGX-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@]1(C)CO	722998584	ACBHMRNKZWMXLZ-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(C#N)nc1	734542329	FOUOXZLHZYGXLZ-UHFFFAOYSA-N	204.189	-0.266	50	10	BBGE	
CNC(=O)CC(=O)NNc1ncccc1C	791219016	JWIWDILAIPDMIH-UHFFFAOYSA-N	222.248	-0.031	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ccccn1	901337814	CDPONUKVRGWEKP-QMMMGPOBSA-N	225.248	-0.344	50	10	BBGE	
CC[C@@H](O)[C@H](C)C(=O)NNc1nnc(C)n1C	912676656	DMSAVFWKIQVHAH-POYBYMJQSA-N	241.295	-0.026	50	10	BBGE	
O=C(Cn1ncnn1)NNc1cccc(F)n1	1157057168	KUBGUIVEMLZORE-UHFFFAOYSA-N	237.198	-0.650	50	10	BBGE	
O=C(NNc1ncc(F)cc1F)C1(O)COC1	1160859569	YRDGGXIJWKCQSL-UHFFFAOYSA-N	245.185	-0.436	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)NC2CC2)o1	1292119728	MININTZPPUTZFJ-UHFFFAOYSA-N	239.235	-0.587	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C1(CF)CCC1	1329563970	HPGMXUJVDXUVDE-UHFFFAOYSA-N	231.271	-0.165	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@H]2CCC(=O)N2)nc1	1455573096	URNLZLQHTACOCB-QMMMGPOBSA-N	245.242	-0.325	50	10	BBGE	
O=C(CC1CC1)NNC(=O)c1cc(CO)on1	1468447217	SJCLVPOQTGRDAA-UHFFFAOYSA-N	239.231	-0.272	50	10	BBGE	
O=C1C[C@@H](C(=O)NNc2nc3ccccn3n2)N1	1567572395	MLUOGTOMLZUOFW-LURJTMIESA-N	246.230	-0.939	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1ncon1	1618117010	TZMIIWDGJDNEBA-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
CCc1cc(C(=O)NNc2nc[nH]n2)nn1C	1638767321	VGONLJIOBRNMEW-UHFFFAOYSA-N	235.251	-0.143	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNc1nc[nH]n1	1648832064	UQXXIJICXUCYPN-UHFFFAOYSA-N	221.224	-0.153	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)C[C@@H](O)C1	1877520016	IWKOIEPXUCLWQH-XUTVFYLZSA-N	219.668	-0.432	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2C[C@@H]2Br)C1=O	1883529454	MSNCVMOREALWSY-DMTCNVIQSA-N	247.048	-0.152	50	10	BBGE	
C[C@@H](OC1CC(N(C)C)C1)C(=O)NN	1886161044	ZIZBJPSNULEBQA-JECWYVHBSA-N	201.270	-0.526	50	10	BBGE	
CC(C)[S@](=O)N1CC[C@@H](B(O)O)C1	1891516257	GFLNIHXMGVFSJP-UHLUBPPHSA-N	205.088	-0.393	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)[C@@H]1CNC[C@H]1O	1893453489	NIXVIXFFNKNEGN-ULAWRXDQSA-N	218.684	-0.595	50	10	BBGE	
NC(=O)[C@H](Cl)c1cccc(B(O)O)c1	1893646785	MLZZSKVTMBKXIP-SSDOTTSWSA-N	213.429	-0.868	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](OC)[C@H]1C	1896023765	UMXXJKQYBAMIEO-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C1CC(N)C1	1901341530	WKYJXFFBWUJQJN-UHFFFAOYSA-N	249.336	-0.575	50	10	BBGE	
CN(NC(=O)[C@H]1CCC2(CC2)N1)S(C)(=O)=O	1901373711	OBWVPUZCHTZWRI-SSDOTTSWSA-N	247.320	-0.806	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)C1CNC1	1901376295	YMZWJVUBFKZWBL-ZETCQYMHSA-N	249.336	-0.845	50	10	BBGE	
NNC(=O)C1(CN2CCSC2)CCOCC1	1902759888	WKAPQMQSYBVIMK-UHFFFAOYSA-N	245.348	-0.221	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)[C@H]1CF	1905009440	NFZWJGKEVUJNCM-VZFHVOOUSA-N	225.647	-0.484	50	10	BBGE	
CN(C)c1ccc(NC(=O)C(=O)NN)nc1	1905254152	AIJNNALAOQINBH-UHFFFAOYSA-N	223.236	-0.924	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[C@H](C(=O)NN)O1	1908720186	YGVNQBBGXIZMTI-XFWSIPNHSA-N	245.298	-0.044	50	10	BBGE	
NNC(=O)CN1[C@H]2CC[C@H]1CSC2	1914570523	OIZFXKHHMNHPOP-BQBZGAKWSA-N	201.295	-0.444	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CCOC2)C1	1915589012	AXRIUPJZQHFKNI-UHFFFAOYSA-N	235.234	-0.666	50	10	BBGE	
CC1(C)CCN(CCC(=O)NN)CCO1	1929633161	DPSWTPCSVWDBPF-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CC(C)(C(=O)NCB(O)O)[C@@H]1CCCO1	1930196606	SBRSAEHYDWEZER-ZETCQYMHSA-N	215.058	-0.680	50	10	BBGE	
CC[C@]1(C)CN([C@H](C)C(=O)NN)CCO1	1932354295	CWCXNXMHRQEZNP-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@H]2C[C@H]21	1934311927	OJACLTUEKHSZTD-XLPZGREQSA-N	211.265	-0.377	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1934788140	STMVRIMZIKAZIL-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@]12CCOC2	1935056829	ZNBYLQYOJFLHAF-WPRPVWTQSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cc([N+](=O)[O-])cn1	1935940887	GCHOZGUQSKGTBH-UHFFFAOYSA-N	235.150	-0.584	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]1C1CC1	1936529180	KFKPARAZQKDZOL-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)[C@@H](C2CC2)C1	1937477444	LWRYDPKXGXYFFL-SZEHBUNVSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)CC1(C(=O)NN)CC1	1938245814	ASPOMHCOFPTVFH-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
CO[C@@H](CN(C)CCOCC(=O)NN)C1CC1	1941777480	XJEWVZKQQQBKKR-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(CCOCC(=O)NN)C1	1941779811	IERRHWADPSKAJN-DTWKUNHWSA-N	243.307	-0.503	50	10	BBGE	
CN1CCC[C@@H](N(C)CCOCC(=O)NN)C1	1941784956	YBTOJLPWNWQEMX-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1N(C)C	1945882632	KUYDAXVGXIYYHS-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@@H]1C[C@H]1C(=O)NN)C2=O	1946988494	QGQDOIQEFGTGDA-UWVKOVSDSA-N	237.259	-0.993	50	10	BBGE	
O=C(NNCCO)c1ccc2c(c1)COCC2	1947267275	DOAUXIOKRJLPHX-UHFFFAOYSA-N	236.271	-0.014	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(C3CC3)C2)O1	1948089761	OIWFHFRITLBCRU-QWRGUYRKSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)CCCN1CC2(CC[C@H]1CO)CC2	1948553502	FOMWXNIRDFSKMZ-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CO1	1951321697	CRHMWGZBHDCCIQ-HLTSFMKQSA-N	227.069	-0.513	50	10	BBGE	
C[C@]1(NC(=O)CCl)CCC(=O)NC1=O	1956987546	NJSHTRKPVVPHHH-QMMMGPOBSA-N	218.640	-0.463	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN(CCN)CC1	1957242224	MCPJDDYEQYHBMK-SECBINFHSA-N	216.716	-0.306	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)N(C)N)C[C@H]1OC	1957302327	UKQXMNUKPQKWAZ-RNLVFQAGSA-N	202.254	-0.242	50	10	BBGE	
CC(C)OC1CN(C[C@@H](C)C(=O)NN)C1	1958194426	RGUKAQLAZVGFGF-MRVPVSSYSA-N	215.297	-0.278	50	10	BBGE	
CCCN(CC)c1ncccc1B(O)O	1961694797	UBZSSMKXJDBHBW-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
O=C(NCCC1COC1)c1ccc(B(O)O)cc1	1971428202	AXBTWFFKLFAEDT-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CCC2(CC2)C1	1971522136	CVJPSBQHBVBVCW-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
O=S1(=O)C[C@H](N=c2cccn[nH]2)[C@@H](Cl)C1	1974994501	BDZVNRMKQVSBHR-BQBZGAKWSA-N	247.707	-0.285	50	10	BBGE	
CC(C)(CN1CC[C@H]2C[C@]2(O)C1)C(=O)NN	1980975950	AVXMRSNKCJMSEM-KWQFWETISA-N	227.308	-0.541	50	10	BBGE	
C=C(COc1cnc(C)c(B(O)O)c1)OC	1980992948	GZZJDYFOVGFKLR-UHFFFAOYSA-N	223.037	-0.391	50	10	BBGE	
N#CC1(O)CCN(c2nc(CO)ns2)CC1	1985616756	DGBSFVLFPHVQDN-UHFFFAOYSA-N	240.288	-0.115	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1[C@@H](C)O	1990042053	ZTHUGICCZFMSJJ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NCC#CB(O)O)C1	1992167352	ITWOBWXVTPXGAY-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1992865647	IANZOBGMSNXFRQ-LYFYHCNISA-N	229.041	-0.925	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1997188299	FIUKDXZEWFASKW-JRKXVGBNSA-N	235.287	-0.521	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CC[C@@H](O)CC1	1997588369	OHJPKOXAOGEGMY-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C[C@H]1CC[C@@H](C(=O)NN)O1	1997684768	YGVNQBBGXIZMTI-RGOKHQFPSA-N	245.298	-0.044	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	1998131123	RSBXKABSZABSMA-VGRMVHKJSA-N	241.052	-0.925	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)CC12CC2	2003751785	AUAONBXNLAVADW-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC12CCN(C)CC2	2003959972	SGVMSLPSOMKMFB-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CCC1(C)CC(=O)N(CCC(=O)NN)C(=O)C1	2004302976	LTBNWYDKFARECH-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC[C@@H](F)C1	2008845145	XIIPJHMSYSQISB-DTWKUNHWSA-N	239.055	-0.334	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1OCC[C@H]1F	2009207158	VIPHFNZCAJRUNW-BDAKNGLRSA-N	249.286	-0.948	50	10	BBGE	
C[C@@H](CN1CC2(CCC(O)CC2)C1)C(=O)NN	2010502534	VYRQPJGCWFEEJI-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CNC(=O)CN1[C@H](C(=O)NN)C(C)(C)C	2010571623	UMNKFLZPLSRXFJ-IONNQARKSA-N	242.323	-0.789	50	10	BBGE	
CC(C)[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	2011676424	KQWNQPVDFQKCTO-DTWKUNHWSA-N	243.307	-0.362	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc(OC(C)C)cn1	2019210587	NGHFTAMPEVJZNE-UHFFFAOYSA-N	240.263	-0.162	50	10	BBGE	
CN1CCC(Oc2ncccc2B(O)O)CC1	2021069263	XPUBHJZWIREJDP-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
O=C(Cc1cccc(F)c1)NCC#CB(O)O	2021164343	FYGFKXVMCNFVQW-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
COC[C@H](OC[C@@H]1C[C@]12CCOC2)C(=O)NN	2021278252	YIMCFOCSKQUZQN-QXEWZRGKSA-N	244.291	-0.566	50	10	BBGE	
C[C@@H](NC(=O)c1ccccc1B(O)O)C(F)F	2022201116	YMZNOXYIMOXYBB-ZCFIWIBFSA-N	243.018	-0.250	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC12CCC2	2040762683	GTVGXIFQFOJZTM-QMMMGPOBSA-N	247.063	-0.715	50	10	BBGE	
Cc1cc(OCc2cncn2C)cc(B(O)O)c1	2049635971	CZSIWPHJCWUXNR-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1CC=CCC1	2058213171	LZUTZUOFERLALD-UHFFFAOYSA-N	247.063	-0.445	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	2079518420	HVIKOBNATOFBFD-VHSXEESVSA-N	248.091	-0.008	50	10	BBGE	
C[C@H]1CCC[C@@H](CN(C)C(=O)C(=O)NN)O1	2210967989	OFPZESYGVSSWRJ-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
O=c1ccncn1Cc1cc(B(O)O)cs1	2211071559	DCPHWDCYJCBUCR-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
C#C[C@@](C)(CC)Oc1ncccc1B(O)O	2212600651	DVMKFDBYRHSUCV-NSHDSACASA-N	219.049	-0.058	50	10	BBGE	
CCN(CC(F)F)c1cc(B(O)O)ccn1	2212601182	KBQLRMJRFJAHIE-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
CCCNCCNc1cc(B(O)O)ccn1	2212604485	XJDFVXCLTSCMNF-UHFFFAOYSA-N	223.085	-0.827	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCOC1	2212604671	YOTDSJQGQANFIB-QMMMGPOBSA-N	222.053	-0.790	50	10	BBGE	
C[C@H](O)[C@H](C)Nc1nccc(B(O)O)c1F	2212605301	BJMIDGCRSSXZAT-WDSKDSINSA-N	228.032	-0.918	50	10	BBGE	
OB(O)c1cccnc1NCc1ccno1	2212605900	LPEQICIEWQCLBW-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
N#Cc1nccn1Cc1cccc(B(O)O)c1	2214594561	HDNAGIWJUKISDP-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CC1(C(=O)NN)CCC1	2216532550	PHAOUUCEAVAMJC-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC[C@]12CN(CCC(=O)NN)C[C@H]1CCO2	2217035994	FQOGOJABPXWJEW-MWLCHTKSSA-N	243.307	-0.896	50	10	BBGE	
CC[C@](C)(CCO)Nc1ccc(B(O)O)cn1	2217176995	DCEMNURUTVLUFY-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
CN1CCC[C@H](Nc2cc(B(O)O)ccn2)C1	2217177771	MZAIWJWSLLFVJB-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
CCn1cc(Oc2ncccc2B(O)O)cn1	2217182517	DLJHMQSXGNHZMG-UHFFFAOYSA-N	233.036	-0.230	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Nc1cc(B(O)O)ccn1	2217183474	LMZWDGXYHUXYSH-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1Cc1cccc(B(O)O)c1	2220072660	MJBDHRVSGUHWOW-MFKMUULPSA-N	248.135	-0.322	50	10	BBGE	
NC1(CNc2ncccc2B(O)O)CCCCC1	2223624855	BKRUGKLYNQBWHO-UHFFFAOYSA-N	249.123	-0.165	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2CC3(CC3)CO2)nc1	2223651160	ASBOGMUUGHUBMT-JTQLQIEISA-N	248.091	-0.258	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1Nc1ccc(B(O)O)cn1	2223670112	STKVHXLWERQDNU-GDGBQDQQSA-N	249.123	-0.583	50	10	BBGE	
CN1CCC[C@H]1CCNc1ncccc1B(O)O	2223672870	VBBXUWZMPZDDHA-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
Cc1ncc(NC(=O)C2(B(O)O)CC2)cn1	2243365502	NLLZKKBIKFIAAP-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
CS[C@@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2243400138	WMXLKRVCORTIQH-DTWKUNHWSA-N	241.121	-0.208	50	10	BBGE	
NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243404791	UOKLHFOTOYZOPA-HLTSFMKQSA-N	226.085	-0.953	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2243404943	XBGLISGMUCIUOH-KZVJFYERSA-N	227.069	-0.515	50	10	BBGE	
O=C(N[C@H]1CCCCNC1)C1(B(O)O)CC1	2243409582	KVAYBNCDNRMVJY-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2243415578	XWRGMIIKRUXXPM-IWSPIJDZSA-N	226.085	-0.907	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC[C@@H]1CC)B(O)O	2243433872	RESGMSROMHYUGB-IUCAKERBSA-N	247.125	-0.337	50	10	BBGE	
COC[C@H](CN1CCC(B(O)O)CC1)OC	2244171253	QZOVKHGNOYMIJD-JTQLQIEISA-N	231.101	-0.413	50	10	BBGE	
COCCCCCOCCOCC(=O)NN	2244521834	ZXCGURAESGSSCM-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
CC[C@H](CN)Nc1cc(B(O)O)c(Cl)cn1	2245913458	RMYDKSPJOTXZDC-ZCFIWIBFSA-N	243.503	-0.436	50	10	BBGE	
CN(CCNC(=O)C1(B(O)O)CCC1)C1CC1	2247736833	ZOWCPQQECNABKZ-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
Cc1cc(CN(C)C(=O)C#CB(O)O)ccn1	2247742346	NPQCORXOODFURG-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247747940	VHHRDOLTBMBQNB-LDWIPMOCSA-N	240.043	-0.828	50	10	BBGE	
O=C(NOC1CCCC1)c1cc(B(O)O)c[nH]1	2247747977	VYQFPAMRNKBENX-UHFFFAOYSA-N	238.052	-0.702	50	10	BBGE	
C[C@@H](N)C1CCN(C(=O)C2(B(O)O)CC2)CC1	2247751138	TVYUCAQBOWGPJP-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
O=C(N1CC(n2ccnc2)C1)C1(B(O)O)CC1	2247753729	BLHNEEHCQUBDSD-UHFFFAOYSA-N	235.052	-0.727	50	10	BBGE	
CO[C@H]1C[C@@H](CCNC(=O)C2(B(O)O)CC2)C1	2247755178	HLRCJETWEHLFFC-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)C1(B(O)O)CCC1	2247757132	VMMPLNVWNSTDHG-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2[C@@H](C)[C@H]2C)oc1B(O)O	2247789411	VRJDTUBBHVMDTC-QMSLJYSESA-N	237.064	-0.348	50	10	BBGE	
NC[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790648	IMYGUGWHBOXQME-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247796749	CHVATCSPXIAWBY-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCc1ncccc1O)[C@@H]1C[C@@H]1B(O)O	2247796854	DLONUORDWHPHKL-RQJHMYQMSA-N	236.036	-0.734	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2247807035	GZNQSOSXLZWECG-QEYWKRMJSA-N	241.096	-0.221	50	10	BBGE	
C[C@](N)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2247809780	RGZFJUWWHBBSNT-YWVKMMECSA-N	240.112	-0.517	50	10	BBGE	
CCN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247810062	UKAMVQCJIZMWHH-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
CCC=C1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247842264	RJSSLRJHLHQLOV-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
COCc1ccc(NC(=O)C#CB(O)O)cc1	2247850799	TVOTYHIJAILIMC-UHFFFAOYSA-N	233.032	-0.213	50	10	BBGE	
Cc1ccnc(C(=O)NCC2CC2)c1B(O)O	2247858383	DNUPMEQJNPEILT-UHFFFAOYSA-N	234.064	-0.790	50	10	BBGE	
CC(C)CNC(=O)c1cccc(F)c1B(O)O	2247870182	FXIPRYFOFTULGI-UHFFFAOYSA-N	239.055	-0.109	50	10	BBGE	
COC[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877643	CNEFCNCXSCLEON-RKDXNWHRSA-N	241.096	-0.218	50	10	BBGE	
O=C(NCc1ccncn1)C1(B(O)O)CCC1	2247880396	ZYVRLRDZAJNELS-UHFFFAOYSA-N	235.052	-0.510	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@H](N)C1	2247888206	XCHXOSAEGUUXKF-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
O=C(Nc1cccc(CO)c1)[C@H]1C[C@H]1B(O)O	2247897325	QURTXZDDKOQMLN-VHSXEESVSA-N	235.048	-0.020	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCNC1	2247899227	LONMVTOEDXQTOY-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899465	NMERESSPOCMWTI-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
C=C1CC(CO)(NC(=O)C2CC(B(O)O)C2)C1	2247909503	KDFUGOSQZNOYSL-UHFFFAOYSA-N	239.080	-0.563	50	10	BBGE	
CC#CCC(=O)NCc1ccccc1B(O)O	2248445461	MOEISJYTSWGVES-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2248579111	XTQATXXUTRTWPK-NKWVEPMBSA-N	243.068	-0.391	50	10	BBGE	
O=C(NC1CCCNCCC1)[C@H]1C[C@@H]1B(O)O	2248633249	WRCSQNFOISURRJ-UWVGGRQHSA-N	240.112	-0.502	50	10	BBGE	
COC[C@]1(C)C[C@H]1NC(=O)C1(B(O)O)CCC1	2248648191	UGGQGKKJYQCRLU-SCZZXKLOSA-N	241.096	-0.075	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@H](C)CF)n1	2249307180	GMFKNCFFENLVDN-SSDOTTSWSA-N	242.059	-0.436	50	10	BBGE	
C#CCCN(C)C(=O)c1c(C)cccc1B(O)O	2255512157	VUBJNUCXGPDBQQ-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCc2nc[nH]c2C1	2255556729	UJQBHEGADHLDDE-OCAPTIKFSA-N	249.079	-0.453	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ccncc1B(O)O	2255725016	SZLOXGKBSMBULQ-LLVKDONJSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N(CC1CC1)C1CC1	2255764209	YEFMPRCEDZPBHK-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C(NCCCC1CC1)c1nccnc1B(O)O	2256067349	OBILHLLKSLENGE-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]2CC[C@H]21	2258133459	OWHDNBOVHSTALH-LDYMZIIASA-N	249.075	-0.026	50	10	BBGE	
CCc1nn(C)cc1C(=O)NCCC#CB(O)O	2258956225	CWACSOMWZWOBPR-UHFFFAOYSA-N	249.079	-0.882	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	2297887520	YSMOFUPKWDYHAC-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)NCCC#CB(O)O	2299632398	MIVHDEDBVXIBNF-VIFPVBQESA-N	239.080	-0.819	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@@H]2C[C@H]1CO2	2300382987	BRTAZVVTKXIQQH-RCWTZXSCSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](C(=O)NCC=CB(O)O)(C2)O1	2303187076	ARHTUFATLQCZHZ-ATZCPNFKSA-N	239.080	-0.372	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@@H]1C	2303834365	DWDOTXLRVQKOSS-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
CC#CC(=O)Nc1ccc(C)c(B(O)O)c1F	2307568575	CWLHFHXVUIPMSV-UHFFFAOYSA-N	235.023	-0.224	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CN(C=O)CCCN	2324518142	VCXWEDREJZTRQD-UHFFFAOYSA-N	238.291	-0.274	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N)C2(C)C)cc1B(O)O	2327403509	OBDDWTCOEFUCSD-SNVBAGLBSA-N	249.123	-0.614	50	10	BBGE	
CC(=O)N/N=C(/N)S[C@H]1C=CS(=O)(=O)C1	12173714	OLXLIRHJTJAIRQ-LURJTMIESA-N	249.317	-0.604	50	10	BBGE	
CN(C)S(=O)(=O)N(C)C(=O)CCl	73734245	MMPMFCQXGLYYNB-UHFFFAOYSA-N	214.674	-0.510	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCO[C@@H](C)C1	82466163	AHGBLESOJLGYGS-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)c1ccoc1Cn1cncn1	82468472	BTOISZHYZWNTQK-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H]1CCCO	82468747	ZPKWDPILMPPZGQ-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
CC(C)N(CC(N)=O)[C@H](C)CCC(=O)NN	82469991	MBNLXVHMKKMBAG-MRVPVSSYSA-N	230.312	-0.659	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cnc([N+](=O)[O-])n1	86313783	RGBILVAVWPIKMC-RFZPGFLSSA-N	228.212	-0.627	50	10	BBGE	
NC(=S)NNC(=O)Cc1ccccc1O	87797926	MWUADMQQVLYEPL-UHFFFAOYSA-N	225.273	-0.201	50	10	BBGE	
C[C@](O)(C#N)c1ncc2c(=O)[nH]ccn12	106365933	SMOVKFSTFQRABR-VIFPVBQESA-N	204.189	-0.246	50	10	BBGE	
C[C@H](CSc1ncnn1C)C(=O)NN	128061208	ODKUVIQQZZKPLD-RXMQYKEDSA-N	215.282	-0.467	50	10	BBGE	
CC(C)[C@@H](N)C(=S)N[C@H](C)B(O)O	210105248	FCIPTNLVYILXGV-PHDIDXHHSA-N	204.104	-0.713	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](CCC)C(=O)NN	212038570	VGYWDSPPFORAIE-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
CC[C@H](C)NCC(=O)N1CCC[C@@H]1B(O)O	213642873	NNZMNKCKCVRJKE-DTWKUNHWSA-N	228.101	-0.623	50	10	BBGE	
N#C/C(=C/N1CCNCC1)C(=O)NCCCl	217235974	NJMONUVQQFWOPM-HJWRWDBZSA-N	242.710	-0.346	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)CCO1	232419208	BSRYAAVPOMTJNL-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
COC(=O)C[C@](O)(CCl)C(=O)OC	238378817	UGVGANNPGBIASH-ZETCQYMHSA-N	210.613	-0.308	50	10	BBGE	
OB(O)c1cc(-n2cccc2)ncc1F	238642083	WHZLWSIPQPDCSN-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
N=C(CSS(=O)(=O)O)NCCO	238701223	DDHWYKYZRQAYEK-UHFFFAOYSA-N	214.268	-0.918	50	10	BBGE	
COCCCNC(=O)CCNC(=O)CCl	258942797	KWVCJKGJWGZTFW-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
O[C@@H]1[C@H]2CO[C@H]1[C@@H](CBr)O2	306202626	YOVIXEGZPWOBCY-KAZBKCHUSA-N	209.039	-0.092	50	10	BBGE	
CC1=N/C(=N\O)C(=O)N1C[C@@H](O)CCl	306258205	ZLWGDKRDSGCEAX-RZSWPZHESA-N	219.628	-0.366	50	10	BBGE	
Cn1ncnc1CN[C@H]1COC[C@@H]1Cl	306313653	VDTRGNJBQCFONZ-BQBZGAKWSA-N	216.672	-0.089	50	10	BBGE	
CC(=O)N/C(=C/c1cccnc1)C(=O)NN	309158546	WRAFMDVLUNWEFU-WEVVVXLNSA-N	220.232	-0.452	50	10	BBGE	
CN1CC[C@@]2(CCN(CCCC(=O)NN)C2)C1	310525491	OPPJGYIMFPPGHN-GFCCVEGCSA-N	240.351	-0.216	50	10	BBGE	
CC[C@H](C=NNC(N)=O)[C@](C)(O)C(=O)O	379700568	OXQLQXWQNCPHBO-XRGYYRRGSA-N	217.225	-0.498	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1CC(=O)NN	395178938	OTSFFDHAKYTVIB-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(CO)c1	396039934	KNHLWQCTTMVCEW-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
COC(=O)Cc1cc(CCC#N)ccc1B(O)O	396043530	VIUIOTZCKSNVSS-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CCOC1	398857674	VNYLIXDTOMRMRB-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN1C(=O)C[C@@H](C(F)(F)F)[C@@H]1C(=O)NN	399557203	KLQCYNJDQBCVSP-NQXXGFSBSA-N	225.170	-0.615	50	10	BBGE	
C[C@H]1CCO[C@@H]1C(=O)Nc1ccccc1B(O)O	404939525	HNFOSLUCRDLLHK-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1sccc1B(O)O	405014549	BMVUJISODPBLDI-LURJTMIESA-N	243.093	-0.921	50	10	BBGE	
COCCC(=O)Nc1ccc(B(O)O)c(C)c1	405030143	OLUWTSGKXKZNGG-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
O=C(CCCl)N1CCN2C[C@H](O)C[C@@H]2C1	405722913	UURUSDHVNYKBGB-RKDXNWHRSA-N	232.711	-0.107	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)C(O)[C@@H](C)C1	688122233	OHPJVIYLMCURTF-LPEHRKFASA-N	243.351	-0.050	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)NC2CC2)CC1	692122188	PRGZPYONXCBBDM-UHFFFAOYSA-N	245.304	-0.666	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)OCCl)C1	692821350	ZPWQFWCJTUAIPH-QMMMGPOBSA-N	236.655	-0.369	50	10	BBGE	
Cn1nnnc1CN[C@@H]1COC[C@@H]1Cl	697786419	VOVWTURRLCBYNH-NTSWFWBYSA-N	217.660	-0.694	50	10	BBGE	
CC1(C)CC[C@@H](CO)N(CC(=O)NN)C1	701576686	SGOMBIJWOOAPAU-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](OCc1ccccc1)[C@@H](N)C(=O)NN	706088168	UPMDBQNDCBMGCF-PSASIEDQSA-N	223.276	-0.091	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@@H](O)C2)c1	711161654	ZDXKKRZZGIYOLP-MRVPVSSYSA-N	241.316	-0.082	50	10	BBGE	
Cc1nn(C)cc1CN(C)[C@H](C)C(=O)NN	716414280	SIHIJXRRAGMHPA-MRVPVSSYSA-N	225.296	-0.461	50	10	BBGE	
O=C=N[C@@H]1COCCN1S(=O)(=O)C1CCC1	717787426	APBQNZJNUNNWPR-VIFPVBQESA-N	246.288	-0.137	50	10	BBGE	
NC(=S)NNC(=O)c1cc(Cl)ncn1	723217154	VXTBWQQAQPVBJF-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
C[C@@H](CCl)S(=O)(=O)[C-]1NC#CN(C)C1=O	725449903	ZKGFGVCFPKUXEO-LURJTMIESA-N	249.699	-0.502	50	10	BBGE	
C[C@]12CSC[C@@H]1CN(CC(=O)NN)C2	725663089	AHRSXEHBGDJMRS-CBAPKCEASA-N	215.322	-0.339	50	10	BBGE	
C[C@H]1OCCO[C@H]1CNS(=O)(=O)CCl	725706275	TXGBURJMLSFNJI-RQJHMYQMSA-N	243.712	-0.094	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNc1nnc(C)n1C	1118883644	DFTKGOBMAJKDIS-UHFFFAOYSA-N	249.278	-0.078	50	10	BBGE	
CCNC(=O)NNC(=O)C1CCN(OC)CC1	1118982133	HZLYCEUIRNWAOF-UHFFFAOYSA-N	244.295	-0.390	50	10	BBGE	
O=C(CBr)NC[C@H]1CNC(=O)O1	1144200133	KVFBEFVMOJYKDK-BYPYZUCNSA-N	237.053	-0.394	50	10	BBGE	
CC(=O)N1CC(NS(=O)(=O)CCl)C1	1260937205	JGQVJKCHWSPQEJ-UHFFFAOYSA-N	226.685	-0.667	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cn[nH]c1	1454102108	HWKWNMDXJJXMEZ-SECBINFHSA-N	224.220	-0.892	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCC1)C1CC1	1540362175	XMGMZNHNRPBZDX-QMMMGPOBSA-N	212.249	-0.295	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NN(C)C(N)=O	1566497070	IXYHICFOVZDEBA-ZCFIWIBFSA-N	200.242	-0.878	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1ncncc1F	1641589237	MJEKWVYLSFKHJX-AIYRYJHASA-N	226.211	-0.004	50	10	BBGE	
CNNC(=O)CN(CCO)C(=O)OC(C)(C)C	1880022376	BSNVYWLZUHFOGC-UHFFFAOYSA-N	247.295	-0.534	50	10	BBGE	
CSSCCNC(=O)[C@]1(O)CCNC1	1886138373	MNLSXTYKIKZZOS-QMMMGPOBSA-N	236.362	-0.162	50	10	BBGE	
NNC(=O)CCN1CCSCCC1=O	1890169711	FADRZAJSYRJAND-UHFFFAOYSA-N	217.294	-0.668	50	10	BBGE	
N[C@]1(C(=O)NC[C@H]2C[C@H]2Cl)CCOC1	1893106301	FDVYRCJRIBVHCI-ZXFLCMHBSA-N	218.684	-0.152	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CC(CO)(CO)C1	1893460351	DYJRABVIEGJVOD-NKWVEPMBSA-N	219.668	-0.573	50	10	BBGE	
CC[C@]12C[C@H]1CN(CCOCC(=O)NN)C2	1894908062	AAZPGVLEFPVVAC-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCCO[C@@H]21	1895441861	WBHZKYCJTPUKHD-RGOKHQFPSA-N	227.308	-0.278	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cnsc1B(O)O	1900475376	STVWWYRYDYTSPH-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cnsc1B(O)O	1900475449	UWUYDJBDIHNNBN-CAHLUQPWSA-N	240.093	-0.697	50	10	BBGE	
CN(NC(=O)[C@@H]1CCNC12CC2)S(C)(=O)=O	1901339786	TWKJEJCVTSYUFZ-ZETCQYMHSA-N	247.320	-0.949	50	10	BBGE	
C[C@H](N)CC(=O)NN(C)S(=O)(=O)C1CCC1	1901341084	OUJSQKKNCDZTDE-ZETCQYMHSA-N	249.336	-0.431	50	10	BBGE	
CCN(CC(N)=O)[C@@H](C)CCCC(=O)NN	1901758085	YXENVWIZQZUTHO-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
C[C@@H](C#N)CS(=O)(=O)N1CC[C@H](B(O)O)C1	1902548473	MOWFLVXJHKYBSC-YUMQZZPRSA-N	246.097	-0.975	50	10	BBGE	
C[C@H](N)[C@H](C)Nc1cc(B(O)O)c(F)cn1	1903005366	GERIJUXZVNHXDP-WDSKDSINSA-N	227.048	-0.952	50	10	BBGE	
Cc1nc(N2CCO[C@@H]3C[C@@H]32)ccc1B(O)O	1907081947	XTEYSDCTMQCUNK-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
CO[C@@H]1CC(CN(C)CC(=O)NN)C[C@H]1OC	1907380555	QYKBSPOHGKOQHE-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncc(B(O)O)cn2)CCO1	1911420382	ORTQFBSUFGDAKQ-APPZFPTMSA-N	238.052	-0.897	50	10	BBGE	
CC[C@@H](N=S1(=O)CCC1)C(=O)NN	1913864502	ZMTCIDBFXPRYSG-ZCFIWIBFSA-N	205.283	-0.373	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](CO)C(C)(C)C1	1914011128	OWFZEODRUZRFNN-IVZWLZJFSA-N	243.351	-0.049	50	10	BBGE	
C[C@H]1[C@@H](Cl)CCN1C(=O)Cn1cnnn1	1914467907	NLDVKMSVWZCHRC-BQBZGAKWSA-N	229.671	-0.099	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CCC2)C1	1914563862	XRNYFDGPNFPDJF-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
Cn1cnnc1SC[C@@H]1C[C@@H]1C(=O)NN	1927917751	MONSFIZAUIJULM-WDSKDSINSA-N	227.293	-0.467	50	10	BBGE	
CNC(=O)[C@H]1[C@H](C)CCN1C(=O)NN	1928670628	BAYAAEARDWPVTI-PHDIDXHHSA-N	200.242	-0.974	50	10	BBGE	
C[C@@]12CCC[C@@H]1C(=O)N2CCC(=O)NN	1929001540	MJSDNTXTOGCBOO-GMSGAONNSA-N	211.265	-0.233	50	10	BBGE	
O=C(NC[C@H](Cl)CF)[C@@H]1CCS1(=O)=O	1930860860	DGGAOJAWXWVLNS-RITPCOANSA-N	243.687	-0.133	50	10	BBGE	
C[C@H](N)CSC[C@@H]1C[C@@H]1C(=O)NN	1931386509	HINZCBDMXMHQJJ-ACZMJKKPSA-N	203.311	-0.307	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)CC(=O)NN	1932222923	YZESTPKWKWRSLT-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)C(C)(C)CO	1936079667	GFGOBFFLKUGFQF-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCC[C@H]1O	1938248572	IEMZFTQSNODZOJ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC(C)CN(CCO)CC(C)(C)C(=O)NN	1939257394	IMXPVRGBEPVXTE-UHFFFAOYSA-N	231.340	-0.047	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@]1(C)CO	1941092116	GJDRVMQLBMRKTM-UXCLJVHYSA-N	241.335	-0.437	50	10	BBGE	
CCN1CCN(CCOCC(=O)NN)C[C@@H]1C	1941784749	UWIWHZYGUIQXOM-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CC(C)(C)[C@@]1(C)CN(C(=O)C(=O)NN)CCO1	1947285632	OAWSPPSQYYYLCX-LLVKDONJSA-N	243.307	-0.360	50	10	BBGE	
CS(=O)(=O)C1(C(=O)NCCCl)CC1	1953895026	XXNYIAJKADHKAI-UHFFFAOYSA-N	225.697	-0.081	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN([C@H](C)C(=O)NN)C1	1958494857	NZGYIHFOCWOZAV-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
O=CN1CCN(C2CN(CCCl)C2)CC1	1959550627	BALRQZVZNBWCRC-UHFFFAOYSA-N	231.727	-0.317	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@H](C)C(=O)NN	1959806474	OZPQNDJBSJUFEI-VXNVDRBHSA-N	215.297	-0.400	50	10	BBGE	
COCCSc1ncc(B(O)O)cc1C	1961710876	XOUVWUNYXOVROK-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)C[C@@H]1C	1961718995	WMQOWUJTSCTYQI-BQBZGAKWSA-N	226.110	-0.085	50	10	BBGE	
C#CCN(CCC)C(=O)c1cccc(B(O)O)c1	1968998519	FDPFFGWIZPTAQI-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@@]2(CCCOC2)C1	1975213825	GJKCDBCGNDKVMK-CBAPKCEASA-N	215.253	-0.503	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1cnco1	1977386107	HGHMANIJBXYRBM-UHFFFAOYSA-N	228.252	-0.887	50	10	BBGE	
C=C(CCl)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1	1978819194	ZEUYOOXXJYHLHF-OCAPTIKFSA-N	245.710	-0.700	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@]2(CCOC2)C1	1981046234	RHTQUHOHFLACIF-JTQLQIEISA-N	227.264	-0.995	50	10	BBGE	
CCOC[C@H](C)Oc1ccc(B(O)O)cn1	1981430858	SPTRFDCSOMDSFN-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
CCC[C@H](C)Cn1cc(B(O)O)ccc1=O	1984100978	FNFHATHZQKPOBS-VIFPVBQESA-N	223.081	-0.036	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1csc(C(=O)NN)n1	1985740478	HNFZQCZUEBGMRB-FSPLSTOPSA-N	242.304	-0.688	50	10	BBGE	
N#CC1(O)CCN(c2nnc(CO)s2)CC1	1985831485	LXWBTLAUUURRCL-UHFFFAOYSA-N	240.288	-0.115	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(F)(F)C1	1990772580	LBPKHOQOVZJGKD-LURJTMIESA-N	235.234	-0.259	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CC#N)C1	1990774671	MEOZRVBJNRDBON-SECBINFHSA-N	224.264	-0.611	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NCC#CB(O)O	1992152517	GIBQUOBGBGUNES-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
CC1CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	1993891648	TYHCWTRBVKGARA-XYPYZODXSA-N	225.292	-0.523	50	10	BBGE	
Cc1nc([C@@H]2CCCN2CCC(=O)NN)no1	1997766875	SDEAEKVDOIRWSY-QMMMGPOBSA-N	239.279	-0.105	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN(C2CC2)CC1	2003818432	UQDLEDMHKIUBTK-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CCCNC1=O	2004246846	IRBUPQVOZJNECJ-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)c1cc(CN2CCO[C@@H]3C[C@H]32)on1	2004486560	MPNQGECGIXUFRH-RKDXNWHRSA-N	238.247	-0.749	50	10	BBGE	
CCc1cnn(-c2ncc(C)cc2B(O)O)c1	2005008903	FUPNZAWQIBHPPE-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@@]2(C)C1	2005017802	KJRYKKSUBREMQR-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(N2CC3(CC3)CO2)ccc1B(O)O	2005018680	WYWYDLXYFKRWMK-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	2009520215	JIJKSJYLZYYXQP-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CCO[C@H]2C1	2012776646	WQGZTECYJANAOK-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
CC1(F)CC(C(=O)N[C@H](CB(O)O)C(=O)O)C1	2013126495	BDHJIXXXBFMZHO-PDFHVUPVSA-N	247.031	-0.833	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C1CC1	2014001839	QNBGSZFPYIHVBN-VWYCJHECSA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1CCCN(C2CN([C@@H](C)C(=O)NN)C2)C1	2014767378	XAGTUGAGDCGFEZ-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN(C)C2(CC2)C1	2014771077	DMEGUCPVHJKCGI-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCOC[C@H]1F	2019175248	AKMXSWPIEHEKLU-RKDXNWHRSA-N	247.270	-0.788	50	10	BBGE	
C[C@@H](CN1CC[C@@H](OCCCO)C1)C(=O)NN	2026095123	MSIMUPLGFOHSLF-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
COc1nc(N2C[C@H]3CCC[C@@H]32)ncc1B(O)O	2052626319	CGJGLZMKIKCPLF-APPZFPTMSA-N	249.079	-0.846	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1Cc2cccc(B(O)O)c2C1	2055630780	IZEBRAIRUIUNIB-KCJUWKMLSA-N	249.050	-0.433	50	10	BBGE	
CCOc1ccc(C#N)c(B(O)O)c1C=O	2060186207	IYFSTATVQAUPFE-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1c(B(O)O)ccc(C=O)c1C#N	2060189869	RFTXMQFNUQNGGF-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1ccccc1B(O)O	2079009918	LXLVPCBTFNMJLB-PTOFAABTSA-N	245.087	-0.105	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NCC#CB(O)O)O1	2210961995	FNSPQWAKDQZBDD-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)[C@@H]1CCOC1	2211072092	JESPFOIEIVHFES-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
C[C@H](O)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211827659	KTDPBMIXAUYWHJ-XKSSXDPKSA-N	227.308	-0.685	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@H]1CC[C@H]1C(=O)NN	2215776105	KXAOUOMRNHHTPH-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]1(C)CC(=O)O	2216043434	MWYGMQJNCAGIQQ-SNVBAGLBSA-N	243.263	-0.907	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@]1(C)COCCO1	2216071547	DBWXLCQTBZKIRM-KOLCDFICSA-N	246.307	-0.033	50	10	BBGE	
CN[C@H]1CCC[C@H]1Oc1ncccc1B(O)O	2217165993	KGGBEPNKVOWLJR-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
OC[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217176927	BZQIAVIUKYSIRV-PSASIEDQSA-N	236.080	-0.666	50	10	BBGE	
Nc1cccc(Oc2ncc(B(O)O)cn2)c1	2217185817	BVKNPMGEFKQGSB-UHFFFAOYSA-N	231.020	-0.469	50	10	BBGE	
CC1(C)C[C@@H](Oc2cc(B(O)O)ccn2)CN1	2217185934	DGGOTVAUUZQMHI-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@H]1CCCN1	2217188157	KMIUMKUNCQWFQN-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CNC[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223643654	YIQJTXKJAYLLDW-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
Cc1cnc(NC[C@@H]2NCC[C@@H]2C)cc1B(O)O	2223651750	YWHHDXOWEYKURR-KWQFWETISA-N	249.123	-0.520	50	10	BBGE	
CSC[C@H](C)NC(=O)C1(B(O)O)CC1	2241479235	UJXJDAFOKGQDMS-LURJTMIESA-N	217.099	-0.139	50	10	BBGE	
C=CC(=O)NCc1ccc(B(O)O)s1	2241556514	YSZNLFVDLVBEBG-UHFFFAOYSA-N	211.051	-0.770	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC[C@H]1CCO1	2242550271	YRABLOYNRJNWBH-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC=C(F)C1	2243347156	IELVYOBMCRHSLP-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1csc(B(O)O)c1	2243357143	RULHMLYXWNMJPE-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1sccc1B(O)O	2243361521	CKANBAXEKUAKGE-ZETCQYMHSA-N	239.105	-0.044	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccoc1B(O)O	2243362747	VZZDSXWOJGNLDY-SVRRBLITSA-N	223.037	-0.560	50	10	BBGE	
Cc1cc(C(=O)NOCCF)sc1B(O)O	2243366346	ATDORTXCFDPQMC-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
Cc1cc(C(=O)N2CCC2=O)sc1B(O)O	2243366934	KXLLHNAFKHVNKZ-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CCC1=O	2243372501	HWIAFAZTEOPVFJ-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
C=CCCNC(=O)c1cc(C)c(B(O)O)o1	2243378649	XEFGJKZKCIIDGM-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381810	IZOWCUMYWGBBKJ-HXFLIBJXSA-N	226.085	-0.813	50	10	BBGE	
CS[C@@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)C1	2243401189	NMZXHJCFVJGZJC-RKDXNWHRSA-N	241.121	-0.256	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccoc1B(O)O	2243407254	OEQBWXYKXPGCQK-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)cn1C	2243409554	KJRNGALEPMZJAC-ONEGZZNKSA-N	222.053	-0.989	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)C1(B(O)O)CC1	2243410682	GBGSQLYOMKCCAT-UHFFFAOYSA-N	223.041	-0.625	50	10	BBGE	
Cc1sc(B(O)O)c(C(=O)NCC#N)c1C	2243414036	RZEMYKZSKFGRSF-UHFFFAOYSA-N	238.077	-0.702	50	10	BBGE	
C[S@@](=O)CCCNC(=O)C1CC(B(O)O)C1	2243414081	SWFKCVCYLSZSQQ-NYRZJEEJSA-N	247.125	-0.876	50	10	BBGE	
COCCCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243415655	ZLMGXNOSDSZZAB-DTWKUNHWSA-N	229.085	-0.266	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(B(O)O)s1	2244266842	JWEPMWMEYDFQQP-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
CC1(OC[C@@H]2CC[C@@H](C(=O)NN)O2)COC1	2245007416	ANVNJJDBSBPFOL-YUMQZZPRSA-N	230.264	-0.671	50	10	BBGE	
O=C(NC[C@@H]1NC[C@H]2C[C@@H]21)C1(B(O)O)CCC1	2247750390	IULQSEPCDKYXST-VGMNWLOBSA-N	238.096	-0.892	50	10	BBGE	
CC(C)C[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247783166	ANQFSLQNXLOXAK-ZETCQYMHSA-N	239.084	-0.746	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)C(C)(C)C	2247783544	HAXPATXMVVTUBK-ZCFIWIBFSA-N	239.084	-0.746	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247791264	MIJMKRKOTRBFRI-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	2247803311	AMJMUBAPYZHTRA-CVPUBMOQSA-N	239.080	-0.921	50	10	BBGE	
CC(C)(C)CN(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2247804396	GYZKZNKVEAELSZ-IUCAKERBSA-N	243.112	-0.284	50	10	BBGE	
O=C(NCc1ccc(O)cc1)[C@H]1C[C@@H]1B(O)O	2247804787	IOCZDBJAFPXTPJ-UWVGGRQHSA-N	235.048	-0.129	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2247807110	PYIQKFIEQLHQTM-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(C2CC2)C1	2247852850	AUJSHZKJWXIQEL-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CN(C)CCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247855437	SDOYFBRLZVQKSG-MGCOHNPYSA-N	242.128	-0.303	50	10	BBGE	
C=C(C)CCNC(=O)c1ncccc1B(O)O	2247866292	JRWZSCCGKCSWMD-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(B(O)O)o1	2247866713	QZWIRVRQSFZHOF-BWZBUEFSSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1occc1B(O)O	2247875386	XDSWCHWSAQHVFE-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247886654	DXXBYJQIATWQKS-MBGOZMDMSA-N	241.096	-0.533	50	10	BBGE	
Cc1cnc(C(=O)NCCCF)c(B(O)O)c1	2247892064	SWAPLAGIIRXECJ-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
O=C(NC12CCN(CC1)C2)C1CC(B(O)O)C1	2247892541	CQWHIDHTSVPDDI-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@H]1OCC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247895158	PIFDVPWDGFELGU-FNCVBFRFSA-N	245.059	-0.517	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC2(CNC2)C1	2247903125	INEKYPGMZMBELV-DTORHVGOSA-N	238.096	-0.939	50	10	BBGE	
Cc1c(CO[C@@H]2CCOC2)cccc1B(O)O	2248222048	XLJHGWIHYNXPQU-LLVKDONJSA-N	236.076	-0.020	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)C1(B(O)O)CCC1	2248576641	IGYCBKGTMKWFCL-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
CC=CC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248576996	HXFGWKPTLFHWJT-FXQIFTODSA-N	241.052	-0.615	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248592436	BLLFLDZMNIBAIA-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	2249997907	BGVPMMRWVFXILX-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
C=CC[C@]1(CO)CCCCN1C(=O)C(=O)NN	2250440791	NLYOPFOHJROSIH-LLVKDONJSA-N	241.291	-0.704	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3C[C@H]2CO3)nc1	2254489492	URFCDAGXDYAGIS-INTQDDNPSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@H]2CO3)nc1	2254490018	WYWNFEUHABOFBJ-UJNFCWOMSA-N	249.079	-0.864	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2CC[C@H]2C1	2255461724	LPIQCWGQTYWERD-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
CC(C)Oc1ncccc1NC(=O)C#CB(O)O	2255470226	ZWARFJBTOKJXGM-UHFFFAOYSA-N	248.047	-0.177	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@H]1CC1CC1	2255555170	XFMVOJLAWCPIOK-QMMMGPOBSA-N	249.079	-0.896	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1occc1B(O)O	2255693637	SLCKCRRQWOAAKZ-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]1C1CCC1	2255710597	MYCBYRLSQOXBLW-JTQLQIEISA-N	249.075	-0.026	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1ccoc1B(O)O	2255715223	CBGVNVDJVBGXDR-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1cncc(B(O)O)c1	2255736489	OHGDQEIMTLIHMY-IUCAKERBSA-N	248.091	-0.463	50	10	BBGE	
C#CC[C@@H](C)NC(=O)Nc1cccc(B(O)O)c1	2255917902	MHCBCZYUYJIFKH-SECBINFHSA-N	246.075	-0.100	50	10	BBGE	
C#CC(C)(C)C(=O)Nc1ncc(B(O)O)c(C)n1	2256642155	UEUCBKOLQDVSKQ-UHFFFAOYSA-N	247.063	-0.937	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2261291680	AIYLEOGARPGZRL-AOOOYVTPSA-N	249.079	-0.312	50	10	BBGE	
C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369409	UCKOKPSEIAPVFA-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300371559	NHKOXMPWOVYUJL-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1COC2(C)CC1C2)C(=O)C(=O)NN	2300459773	QCECASKKOWJRFR-JKDSDDBFSA-N	241.291	-0.750	50	10	BBGE	
Cc1ccc(Cn2ccc(B(O)O)n2)nc1C	2302791132	MJEXILLKXZDMQF-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303111881	NOFGUQVUDKHOLZ-KKZNHRDASA-N	241.096	-0.266	50	10	BBGE	
CC1(C)COC[C@H](CN2CC[C@@H](B(O)O)C2)O1	2303147496	OMYHGKARFNNEOH-ZJUUUORDSA-N	243.112	-0.271	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)ncc1B(O)O	2309544236	VYKOQEYVIOBNCQ-WYFGTUCQSA-N	244.103	-0.086	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2C=C[C@@H]1C2	2312857233	BRZMDPMJTMRLJB-WCBMZHEXSA-N	246.075	-0.895	50	10	BBGE	
C[C@@H]1CN(c2ccc(C=O)c(B(O)O)c2)CCO1	2317350316	QEWGHRSAKCOQEG-SECBINFHSA-N	249.075	-0.596	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C=CS(=O)(=O)C1	40166929	ONULQJLYGRQMFT-ZCFIWIBFSA-N	219.266	-0.927	50	10	BBGE	
NNC(=O)CCC(=O)NC[C@H]1CCCO1	58840684	LAOKUQAJINPKFB-SSDOTTSWSA-N	215.253	-0.948	50	10	BBGE	
CC(C)N(CC(N)=O)[C@@H](C)CCC(=O)NN	82469990	MBNLXVHMKKMBAG-QMMMGPOBSA-N	230.312	-0.659	50	10	BBGE	
CN(C)CCCN(C)CC(C)(C)C(=O)NN	86598008	HFHNRQJAUJYBQC-UHFFFAOYSA-N	230.356	-0.114	50	10	BBGE	
N#Cc1ncn(Cc2ccc(C(=O)NN)cc2)n1	110603408	ZAZQWSNKCOLROZ-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CCCO	164009057	BNEUOYJJLJWDDR-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
COCOc1cccc(OC)c1B(O)O	197007066	RDJLJABHXLTMBN-UHFFFAOYSA-N	212.010	-0.642	50	10	BBGE	
Cc1cccc(=O)n1Cc1cccc(B(O)O)c1	199014694	KMKUPFZHQKUQPY-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
O=C(O)c1c(F)c(F)c(B(O)O)c(F)c1F	201087022	KHFHCARQUGNBNF-UHFFFAOYSA-N	237.901	-0.379	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@H](N)C1	203223802	OKYQDEJFKRPJGS-ZETCQYMHSA-N	224.264	-0.584	50	10	BBGE	
NC1(c2nnc(-c3cccc(B(O)O)c3)o2)CC1	211463594	CBLXPIZCIPVUSR-UHFFFAOYSA-N	245.047	-0.636	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)CCCl	227260588	SBNGBUYHRZLCMD-YFKPBYRVSA-N	209.629	-0.735	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](CCO)C1	227444316	MSTWPQJQUZJUIA-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1nnc[nH]1	230437402	RGEYNOGEWUXBJV-BYPYZUCNSA-N	224.673	-0.019	50	10	BBGE	
COCCOCCCOC(F)(F)C(=O)NN	234725662	ZPNFIFFCGHSXFS-UHFFFAOYSA-N	242.222	-0.361	50	10	BBGE	
CO[C@H]1CCN([C@@H](C)CC(=O)NN)C1	234812578	CHGNBQMSGQNNNR-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](Br)C(=O)NC[C@@H](O)CO	235150277	PIOMBVWEIAAKSY-RFZPGFLSSA-N	226.070	-0.761	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)CC#N	300000139	YQRKMSYIBHCXOE-HTQZYQBOSA-N	214.269	-0.775	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCOCCO	301048611	QQSGWNKEYPHVHK-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
NCC(=O)NNc1nncc(N)c1Cl	306568410	JGDFYQUUOWPMPI-UHFFFAOYSA-N	216.632	-0.886	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C(C)C)n1	309094317	HFBRZAKIALGVDU-UHFFFAOYSA-N	223.037	-0.329	50	10	BBGE	
O=C1CN(CC2[C@@H]3COC[C@@H]23)CC(=O)O1	385613609	HCTPNNVMVSLCTC-YUMQZZPRSA-N	211.217	-0.736	50	10	BBGE	
COCCN(C)[C@@H](C(=O)NN)C(C)(C)C	395595627	QGFRJXSFGUWNQA-QMMMGPOBSA-N	217.313	-0.031	50	10	BBGE	
COc1ccc(B(O)O)cc1CCC=O	396034300	RZKSSWLUPLIKCN-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
Nc1c(C=O)cc(B(O)O)c2ccsc12	396235743	GSFPNHWYFUOBLE-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
OCc1cc2cc(B(O)O)c(O)cc2s1	396346404	RALWIAVFDQSLQB-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1ccon1	405024891	JYUFZDWYZNVXPU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@H](CN1C[C@H](C)[C@@H](O)[C@H](C)C1)C(=O)NN	688121921	JXMIDXQLNCNNBM-QCLAVDOMSA-N	229.324	-0.439	50	10	BBGE	
CCN(C[C@H](C)O)C[C@@H](C)C(=O)NN	692162263	YVWFBAZMMUKKON-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
C[C@H]1CC(NC(=O)C(=O)NN)C[C@H](C)O1	694790604	UMYLMOWGLNVILK-WDSKDSINSA-N	215.253	-0.952	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCCO2)C1	705811831	BGAMDGWZHVJBJV-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	709678452	KRATUPAZTNQDQE-OIBJUYFYSA-N	235.048	-0.660	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COC[C@H]2C1	718160768	OMODHXWUJDKHHD-AATLWQCWSA-N	227.308	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H]1CO2	718287095	QPANBZOWEBJXKW-KZVJFYERSA-N	213.281	-0.526	50	10	BBGE	
COCc1ccsc1C(=O)NNC(=O)CO	753445028	DEBCCFQHNULCAG-UHFFFAOYSA-N	244.272	-0.352	50	10	BBGE	
CC(=NNC(=O)[C@H]1CCCO1)c1cnnn1C	814940414	KBXTVRBMPPBAAL-SECBINFHSA-N	237.263	-0.166	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](N)COC(C)C	852824073	PCDADCFEQDQRHQ-QMMMGPOBSA-N	246.311	-0.569	50	10	BBGE	
N#CC(C#N)=CNC[C@@]12COCCN1C(=O)OC2	864351079	OVSMGCDBOXMZJW-NSHDSACASA-N	248.242	-0.272	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCC(=O)NC1	1140545069	NQZBAOKAKIENRI-QMMMGPOBSA-N	229.280	-0.878	50	10	BBGE	
C/C(=C\c1ccco1)C(=O)NNC(=O)CO	1161080383	HTIBDLXCKOPQQE-FNORWQNLSA-N	224.216	-0.177	50	10	BBGE	
O=C(CCO)NN=C1CN2CCC[C@H]1C2	1261833439	YJTZLFWARSRQOY-QMMMGPOBSA-N	211.265	-0.433	50	10	BBGE	
CCOC(=O)NNC(=O)C[C@@H]1CCC(=O)NC1	1457488989	PZOURUKWUPLPSU-ZETCQYMHSA-N	243.263	-0.320	50	10	BBGE	
COC(=O)CC(=O)NNc1nc2ccccn2n1	1634030863	OEBJJFJLCBJYMM-UHFFFAOYSA-N	249.230	-0.265	50	10	BBGE	
CCC(=O)N[C@H](C)C(=O)NNc1ccncn1	1637047444	YFWPJJWKVGATIP-SSDOTTSWSA-N	237.263	-0.166	50	10	BBGE	
NC[C@H](O)CC(=O)NC[C@@H]1C[C@@H]1Cl	1883563879	OLRGNJQDCHVJEJ-XVMARJQXSA-N	206.673	-0.560	50	10	BBGE	
NC1(CNC(=O)C=CC(=O)Cl)CC1	1883626278	DQBIHWMKFHZMER-UHFFFAOYSA-N	202.641	-0.085	50	10	BBGE	
COC(=O)CN(CC(=O)OC)C(=O)F	1887173278	KFKCLXFAFUFWPC-UHFFFAOYSA-N	207.157	-0.276	50	10	BBGE	
OC[C@@H](O)C1CN(CCOCCCl)C1	1887182076	NWVZFDBBAHFWHD-SECBINFHSA-N	223.700	-0.473	50	10	BBGE	
N[C@H]1COC[C@H]1NC(=O)C=CC(=O)Cl	1893410740	NHEOKCSWJONHAU-NTSWFWBYSA-N	218.640	-0.850	50	10	BBGE	
N[C@@]12C[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C2	1893504980	PGUHCDIBTHTVJT-ZKBBVYBXSA-N	214.652	-0.132	50	10	BBGE	
NNC(=O)COC[C@H]1O[C@H]2CC[C@H]1C2	1893709438	SXLLPEOQUSXOMI-BIIVOSGPSA-N	200.238	-0.440	50	10	BBGE	
CCOCCOCCO[C@@H](C)CC(=O)NN	1900890914	UYEJCEONEXJZLA-VIFPVBQESA-N	234.296	-0.175	50	10	BBGE	
CC[C@@H]1C[C@H]1CC(=O)NCCC#CB(O)O	1902767315	CNLSUVQFXNLIQB-ZJUUUORDSA-N	223.081	-0.056	50	10	BBGE	
CC(C)OCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1906422124	KCNFSWIBXBHNJX-WDEREUQCSA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@H]1CO	1909057270	SAXBXEPSMSSAJV-IUCAKERBSA-N	213.281	-0.766	50	10	BBGE	
C[C@@H](CN1CC(C)(C)CC1=O)C(=O)NN	1912277863	MEGOODREDKSOFA-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3(CC3)C2)O1	1914498857	MXXSYBCFLAPDSM-DTWKUNHWSA-N	225.292	-0.380	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C(=O)NC(=O)CCl	1916839894	SQZWBSWVAXUCKS-RXMQYKEDSA-N	235.671	-0.472	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCC[C@@H]1O	1923209218	PIHGWWGLLJUULS-WHFBIAKZSA-N	240.181	-0.143	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnsn1	1923410687	WEBPXPJRMMFLGS-UHFFFAOYSA-N	240.166	-0.139	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2CC[C@H]1O2	1929833405	IZSPGNMJBUPVBO-BWZBUEFSSA-N	200.238	-0.833	50	10	BBGE	
COC[C@@H](Cl)CNS(=O)(=O)N1CCC1	1929936634	IYOZLEZFAOUBOK-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@@H]1COC[C@H]1Cl	1933390014	RTNQTYYYCUVBKB-RNFRBKRXSA-N	242.728	-0.364	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN([C@H](C)C(=O)NN)C[C@@H]21	1935840559	VMJMZZGPKYTCRU-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N(C)OC)C1	1936109934	PGMSSALUELXQJR-SECBINFHSA-N	230.312	-0.678	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H](OCC(N)=O)C1	1936462663	DJCIAPPLQHAPQU-HTQZYQBOSA-N	248.710	-0.036	50	10	BBGE	
CN(Cc1csnn1)C[C@H]1C[C@@H]1C(=O)NN	1937716473	UKWVWASJBFXTET-SVRRBLITSA-N	241.320	-0.404	50	10	BBGE	
CO[C@@H]1CN(C)C[C@@H]1NC(=O)NC(=O)CCl	1938601271	RSJHMEPIQKZGIK-NKWVEPMBSA-N	249.698	-0.620	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)CC[C@@H]1CO	1946679308	VEPBJSXMPVNCTN-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCn2ncnc2C1	1961288204	GAXWSSFQEBWVCH-ZCFIWIBFSA-N	230.655	-0.214	50	10	BBGE	
C[C@H](C(=O)NN)N1CCn2cccc2C1	1961381556	FULDYAIXMCMUBA-MRVPVSSYSA-N	208.265	-0.318	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H]2C[C@H]21	1961509817	VZPASGRSMVVTCO-FNCVBFRFSA-N	211.265	-0.915	50	10	BBGE	
CCOCC(=O)N1CCN(C(=O)CCl)CC1	1970356270	JGQDLOKVMXMJPZ-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]12CC[S@@](=O)C2	1975992028	FYZKABHVVGKIQR-JFDMKLCPSA-N	245.348	-0.648	50	10	BBGE	
CC1(C(=O)Nc2ccc(B(O)O)cn2)CC1	1976029231	DDZBFJMLVBFTHI-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
O[C@H]1CC[C@@H](O)[C@@H]2CC[C@@H]1N2C[C@@H](O)CCl	1977150595	UBAQBAGSXXULSA-AJBSGBCOSA-N	249.738	-0.065	50	10	BBGE	
O=C1C[C@H](CNC(=O)NC(=O)CCl)CCN1	1977238954	AJXPVYWXUJUBBU-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
CON(C[C@H](C)C(=O)NN)C1CCOCC1	1978745282	BLCJLWOCKJCXLN-QMMMGPOBSA-N	231.296	-0.345	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(C[S@](C)=O)C1	1979480512	ROIQJOCUGZRPRJ-ABKXIKBNSA-N	247.364	-0.689	50	10	BBGE	
CCN(C)[C@H]1CCCN(CCC(=O)NN)C1	1981059258	TYUHYGCZQMPBKH-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cc(Cl)cn2)n1	1981465565	NZZPEYGZXLNAKQ-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC=C[C@@H]1CO	1985649626	ZKEIWGRNEAGXQZ-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COC[C@@H]21	1987062399	SJEZQYQDKDKVJL-BQBZGAKWSA-N	235.234	-0.668	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]1CN2C)C(=O)NN	1987188143	UTPMSZXIRRGWPB-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
COCC12CC(CN(C)C(=O)NN)(CO1)C2	1994898137	KVOZLGMGQRGTFM-UHFFFAOYSA-N	229.280	-0.303	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](OCCO)C1	2001032294	WFCBOXYTGQXYOH-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H]2C[C@]2(O)C1	2004190938	LJEJQACZFWUGSY-AUTRQRHGSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN1CCOc2ncccc21)C(=O)NN	2004297210	FNNAGFRBGDGZBJ-QMMMGPOBSA-N	236.275	-0.094	50	10	BBGE	
Cc1ccc(Sc2ncc(B(O)O)cn2)nn1	2005004364	FINCASGJCIZWEX-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
C[C@H]1C[C@@H]1CCCn1cccc(B(O)O)c1=O	2011567928	GIAJUTIRUSCDEF-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@@H]1F	2013727040	DIZQDHPQVQUTBA-XHNCKOQMSA-N	249.286	-0.950	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCOC[C@@H]1F	2019175245	AKMXSWPIEHEKLU-DTWKUNHWSA-N	247.270	-0.788	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2OCC[C@@H]2C1	2019220113	UXBSQFKYHDCILK-NXEZZACHSA-N	241.291	-0.736	50	10	BBGE	
CC1(C)[C@H](O)CCCN1C[C@@H]1C[C@@H]1C(=O)NN	2020204760	ANURZUFWMHIUJA-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
Cc1nc(N(C)Cc2cocn2)ncc1B(O)O	2052559872	QAWIBDGKPPXNIN-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCCc1ccc(B(O)O)cc1	2058048827	IAQJWLGWZDUOLT-BXKDBHETSA-N	247.103	-0.319	50	10	BBGE	
COc1cc(Cl)c(B(O)O)c([N+](=O)[O-])c1	2060015967	NHDIMIBDICIACP-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
N#Cc1ccc(F)c(B(O)O)c1[N+](=O)[O-]	2060176681	MTFAPITXGDUEPW-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
OB(O)c1cc(F)c(N2CCOCC2)c(F)c1	2069374253	RBSJRHOCIGRLPP-UHFFFAOYSA-N	243.018	-0.519	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)n1	2086988846	BISTYEDHYKADJN-LALMQGGXSA-N	246.075	-0.502	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)[C@H]1C[C@H]1Cl	2210423929	ZZFVWRSTPFMOPT-CBHQDSPSSA-N	249.694	-0.807	50	10	BBGE	
O=c1ncccn1Cc1cscc1B(O)O	2211136455	RUCKMOUFEVELIS-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
NNC(=O)C1(CN2CCOCC2)CCCC1	2212445249	XXLFSHZXAUPMEE-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
OB(O)c1cccnc1NCc1nncs1	2212602382	CNBZVBUXXILIJU-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1ccc(B(O)O)cn1	2212604811	ZGJZWUWBWZHKST-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C(C)(C)N	2212605703	IZUDVPXWVUDTTC-SSDOTTSWSA-N	223.085	-0.701	50	10	BBGE	
Cc1cnc(N2CC3CC2C3)cc1B(O)O	2212605853	LAKPEUNIFXXWLR-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
CSCC[C@@H](C)Nc1ncc(B(O)O)cn1	2212610161	DKALEKLKGXOQOD-SSDOTTSWSA-N	241.125	-0.290	50	10	BBGE	
CCN(C[C@H]1CC[C@@H]1C(=O)NN)C1CN(C)C1	2215774338	WJTWXZFYEBZZPQ-KOLCDFICSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](F)[C@H](CO)C1	2215776734	OPWIOOLAFNKSBG-UTINFBMNSA-N	245.298	-0.735	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@H]1CC[C@H]1C(=O)NN	2215777498	SWXLVSORPWNOCQ-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
Cc1ncnc(O[C@H]2C[C@@H]3C[C@@H]3C2)c1B(O)O	2216557902	YQNVBRCRNANJIL-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2CF)CCOCC1	2216875638	ZCYDCYMRTGLXPM-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CN1	2217177508	JSRYDOILMANNFP-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)[C@H](O)CC	2217178606	YGIJPZAWLDYVPW-DTWKUNHWSA-N	239.084	-0.882	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@@H](O)C2)c1F	2217179299	JCJYRPWTZPLVGG-RNFRBKRXSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCOC[C@H]2C3)nc1	2217183335	HLBNRYKWZYCKQP-LDYMZIIASA-N	234.064	-0.648	50	10	BBGE	
CN[C@@H](C)C(C)(C)Oc1ccc(B(O)O)cn1	2217193421	UOTHRZZYLBYZPU-QMMMGPOBSA-N	238.096	-0.473	50	10	BBGE	
COC[C@@H]1CC[C@@H]1Nc1ncccc1B(O)O	2217196981	WDXJRNHMJGGXTP-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2CC[C@@H]2C)ncc1B(O)O	2220568502	NORCMJGNDXOPFB-POYBYMJQSA-N	249.079	-0.551	50	10	BBGE	
COC[C@@H]1C=CCN1c1cc(B(O)O)c(C)cn1	2223641872	WZYPHGDACHCVCM-JTQLQIEISA-N	248.091	-0.539	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCN(C)C2)cc1B(O)O	2223642291	ZRTVRYKNCFNQKD-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1Nc1ccc(B(O)O)cn1	2223669787	OLNYXBYRZQGNLT-MNOVXSKESA-N	249.123	-0.167	50	10	BBGE	
O=C(CCl)N1C[C@@H]2OCC[C@@]2(CO)C1	2242594670	UIOLTIRGEIGNAX-CBAPKCEASA-N	219.668	-0.165	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1nscc1B(O)O	2243349994	UDAOWMGBPWELCI-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@H]1CF	2243356967	PGVOAMCYNSJKNX-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)C#CB(O)O	2243357436	WTXOSIGTWCZATF-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCCCC[C@@H]21	2243357461	XCNHZWMPTUUEFX-UWVGGRQHSA-N	221.065	-0.207	50	10	BBGE	
CC[C@]1(C)CC(=O)N1C(=O)C1(B(O)O)CC1	2243364739	BNVZVVZWIHOMIZ-SECBINFHSA-N	225.053	-0.079	50	10	BBGE	
CC[C@@]1(C)CC(=O)N1C(=O)C1(B(O)O)CC1	2243364740	BNVZVVZWIHOMIZ-VIFPVBQESA-N	225.053	-0.079	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2243365900	UPXUBKHRJBYOCF-HTQZYQBOSA-N	226.085	-0.811	50	10	BBGE	
C#CCCNC(=O)c1scc(B(O)O)c1C	2243382187	LRVIYRRHSCLCDN-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
N#CCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243390775	BDVOZECOHCRBRK-KYZUINATSA-N	222.053	-0.389	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)C1(B(O)O)CC1	2243398293	OCNNZEJOACMHFG-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2243400380	ABFGABJOCXMFDH-JKMUOGBPSA-N	228.991	-0.838	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@H]2C[C@@H]21)B(O)O	2243432470	AKHFEVZEXSXAML-IUCAKERBSA-N	245.109	-0.631	50	10	BBGE	
O=C1NC2(CNC2)C(=O)N1CC1CC(Cl)C1	2245011700	OUUUHNRZLDYENF-UHFFFAOYSA-N	243.694	-0.102	50	10	BBGE	
C#CC1(N(C)C)CN(C(=O)NC(=O)CCl)C1	2245525907	SFXGTGFXPYARKY-UHFFFAOYSA-N	243.694	-0.289	50	10	BBGE	
C#C[C@H](C)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912614	DFVYGSHZUQBPHW-ZETCQYMHSA-N	238.483	-0.482	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CC[C@H]1C2	2247721515	FKKLDKIVVHLYMH-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C[C@H]2C1	2247732581	HTDIHIAXKAYICD-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1ccc(B(O)O)o1	2247737474	GZQDYTQYRZUINS-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
CN(CCc1ccncc1)C(=O)C#CB(O)O	2247740017	FCAFGEZHBIHHSX-UHFFFAOYSA-N	232.048	-0.902	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1ccoc1B(O)O	2247740890	RCHQWTGGMUZMED-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2247746709	CJEHDRCUFIIYBU-ZETCQYMHSA-N	236.080	-0.387	50	10	BBGE	
O=C(N[C@]12CCNC[C@@H]1C2)C1(B(O)O)CCC1	2247751333	WIBZWBMRDJZILR-KWQFWETISA-N	238.096	-0.748	50	10	BBGE	
O=C(N1CC(OCC(F)F)C1)C1(B(O)O)CC1	2247753110	BRKSMRNKMGDWHK-UHFFFAOYSA-N	249.022	-0.514	50	10	BBGE	
C=CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](C)COC	2247799121	ZVMVXAVNZVWETE-AEJSXWLSSA-N	241.096	-0.101	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247803398	AVQFIUHHBJUAKV-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C[C@@](C)(F)C(C)(C)F)C(=O)C#CB(O)O	2247848092	HAADOMRXJJQWCI-SNVBAGLBSA-N	247.050	-0.064	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCOCC2)C1	2247848343	KTBUUNVCRQTWLZ-UHFFFAOYSA-N	237.064	-0.969	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](CO)C1CCCCC1	2247852083	OQGDKJBTHHTKAC-SNVBAGLBSA-N	239.080	-0.941	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)cn1C	2247869390	QUCVIMHKQWDQNC-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CC1)c1ncc[nH]1	2247878465	KHXZROLJUKYHSO-SSDOTTSWSA-N	237.068	-0.016	50	10	BBGE	
COC[C@H]1C[C@H]1CNC(=O)C1CC(B(O)O)C1	2247892786	HWWLZXFGBAYKTM-APTHBXDWSA-N	241.096	-0.362	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C(=O)C1CC(B(O)O)C1	2247893429	ROXYAXPFEUUOFP-AFWXGSBKSA-N	241.096	-0.531	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H](C)CN(C)C	2247894174	DADRNJROIWNOMQ-OPRDCNLKSA-N	242.128	-0.352	50	10	BBGE	
Cc1c(CNC(=O)[C@H]2C[C@H]2B(O)O)cnn1C	2247896503	ZBTATBWXEGYHPR-DTWKUNHWSA-N	237.068	-0.792	50	10	BBGE	
O=C(NCc1cccc(O)c1)[C@H]1C[C@@H]1B(O)O	2247897424	SFGCDCNELUJHRU-UWVGGRQHSA-N	235.048	-0.129	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247900450	WUUMUDBZUHNSEA-QEYWKRMJSA-N	240.112	-0.694	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247906411	YLZNPZRSVLCLFJ-DTORHVGOSA-N	242.128	-0.317	50	10	BBGE	
O=C(O)[C@@H](F)CCNC(=O)C1(B(O)O)CCC1	2248587065	LEKDXJDRJRLWIG-LURJTMIESA-N	247.031	-0.688	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1cocc1B(O)O	2249417033	ZUECZFKQORBWDM-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1cocc1B(O)O	2249424084	ODKUEAMPERKYNS-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2249589812	GSCMCKICUWQOAP-WNIYITNYSA-N	239.080	-0.921	50	10	BBGE	
CCc1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1	2250943904	WACLNHCPYSQQGW-IUCAKERBSA-N	236.275	-0.568	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(F)cc2B(O)O)C1	2255501660	RVZSDPRPCMIGNF-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC2(CC2)C1	2255504476	RWJFWQFWHIIFMN-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)[C@H]1CC1(C)C	2255519563	YTTWJIYTNWHMRG-VIFPVBQESA-N	248.091	-0.368	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1coc(B(O)O)c1	2255731803	LIBTZWRXCMVKLG-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
CCC/C=C/CNC(=O)c1nccnc1B(O)O	2256054442	PSJAPSCOPMNWJD-SNAWJCMRSA-N	249.079	-0.758	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)cn2)CCC1	2259904928	QZJLQJSJKOJRFY-UHFFFAOYSA-N	244.059	-0.953	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ncncc1B(O)O	2260401799	QKUWQEZKCYIOEM-MRVPVSSYSA-N	249.079	-0.902	50	10	BBGE	
C[C@]12C[C@](NC(=O)[C@H]3C[C@@H](B(O)O)C3)(CO1)C2	2298376739	LRQSCXCDVJIETN-WATRASLCSA-N	239.080	-0.323	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298377021	BESDLIBHNNFRQD-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
CCC[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463437	CLVOVPCHSGDKCX-RNJXMRFFSA-N	243.068	-0.534	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]2CC[C@H]1O2	2310071565	FIJLIGDGWVDDEI-INTQDDNPSA-N	249.075	-0.904	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2311430928	QVJUUMVOZOFWQB-VHSXEESVSA-N	243.071	-0.233	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccncc1B(O)O	2312857235	BVSXVDSZBSGQCT-HDBBIHSSSA-N	246.075	-0.710	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2317168330	SXSYMQSDVCYYDA-DTWKUNHWSA-N	248.091	-0.257	50	10	BBGE	
CN(CCO)Cc1occc1C(=O)NN	82468858	YVGHUPPVXWHOHE-UHFFFAOYSA-N	213.237	-0.693	50	10	BBGE	
CC(C)CN(CCCC(=O)NN)CC(N)=O	82469884	DIAILDUWLSMMRF-UHFFFAOYSA-N	230.312	-0.800	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)C1CCCCC1	82470097	BLBYMALJLMXCGS-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CCN(CCC(=O)NN)CC(=O)NC(C)C	82470139	XHBNHFIRIZUHOP-UHFFFAOYSA-N	230.312	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](O)C1	82470435	YYEYOHLRIFZXRF-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CCC(=O)NN)Sc1n[nH]c(=O)n1C	82472659	FZRLMOWPTORDKO-RXMQYKEDSA-N	245.308	-0.641	50	10	BBGE	
CC[C@H](Sc1nc(N)cc(N)n1)C(=O)NN	82472904	DBJICHYLXCYCCY-BYPYZUCNSA-N	242.308	-0.498	50	10	BBGE	
Cc1cn(CCCCC(=O)NN)c(=O)[nH]c1=O	88452853	QBJHIEAJYYDAQX-UHFFFAOYSA-N	240.263	-0.995	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(CC2CC2)CC1	110598040	IAQCCQYQRTXYLB-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCCn1nc2n(c1=O)CCCC2	110603172	TYVKTBFNJGIVDB-UHFFFAOYSA-N	239.279	-0.849	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)[C@H]3C[C@@H]3C2=O)o1	113667839	ARJRGRPEXZXOPH-BQBZGAKWSA-N	249.226	-0.612	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)CCCCl)C1=O	114650173	GHYMQWCVKXYQMG-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
O=C1C[C@@H](C(=O)NCCCCl)NN1	170233010	QCANWNWWNAWVJM-YFKPBYRVSA-N	205.645	-0.875	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)C1CC1	211912246	FCIGOHGXUVUZKX-SECBINFHSA-N	215.297	-0.398	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@H](N)C(C)C)B(O)O	213690177	DPVYMNCQRPIQEA-RKDXNWHRSA-N	230.117	-0.343	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	223125550	INQOEHWRTFTIKY-HLTSFMKQSA-N	241.291	-0.608	50	10	BBGE	
C=CCCCO[C@H](COC)C(=O)NN	232418521	OZWHRBCXUOYTAP-MRVPVSSYSA-N	202.254	-0.026	50	10	BBGE	
COC(=O)[C@H](Cl)CNS(=O)(=O)N(C)C	234579189	OZGDLBTWIKOMND-RXMQYKEDSA-N	244.700	-0.837	50	10	BBGE	
CC(=O)OC1(C(=O)O)CC(=O)OC(=O)C1	238134509	HHPLJOPKMYXBAH-UHFFFAOYSA-N	216.145	-0.764	50	10	BBGE	
CN(C)c1nc(O)n(CCCl)c(=O)n1	238320996	ONOUDUQDKHXHBD-UHFFFAOYSA-N	218.644	-0.351	50	10	BBGE	
CCN1CCN(CC(=O)NN)C[C@H]1C	250335259	PALMMZGNIRQOEA-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C(=O)NN	252431806	QBAVTQQDTHFJNS-GJMOJQLCSA-N	213.281	-0.083	50	10	BBGE	
CN1CCC[C@H](COCC(=O)NN)C1	259015934	OXEKFFRHERSPNW-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
CN1CC[C@H](C[C@H](N)C(=O)NN(C)C)C1	259072703	NLOGBPITOPAWJE-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@H]1CSC(=O)N1	286450846	SHCATZSVZQJBJX-SCSAIBSYSA-N	233.249	-0.459	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1[C@@H](C)CC(=O)NN	304549014	LZSOGHMZUXDGBE-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
O[C@@H]1[C@H](O)O[C@H]([C@H](Cl)CCl)[C@@H]1O	306421945	CGPKCWFLSGBABQ-VFUOTHLCSA-N	217.048	-0.728	50	10	BBGE	
Cn1ncc(CNC(=O)NC(=O)CCl)n1	307464399	LTTIZXLEKMZDNH-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
OB(O)c1cc(O)cc2scc(O)c12	307496596	IYWZTHOLIWNNAY-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COCCN(C)Cc1ccc(C)c(B(O)O)c1	313767614	LWPNQHLTTHRDOJ-UHFFFAOYSA-N	237.108	-0.247	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H](O)CC1	378796322	QREWBWDCSUWAQS-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CCS[C@H]1CCN([C@@H](COC)C(=O)NN)C1	382902874	UGAPTZWFJMUSJN-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
COCC(COC)NS(=O)(=O)CCl	384339134	BOOIVEVVWXFIND-UHFFFAOYSA-N	231.701	-0.237	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCSC[C@@H]1CO	388089421	CRUPOIHAJQFNET-CIUDSAMLSA-N	247.364	-0.589	50	10	BBGE	
C[C@H]1CN(CCCCCC(=O)NN)C[C@H]1O	388709722	YIVDBGHNKYCGLK-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
Cn1[nH]c(CNC(=O)CCCl)cc1=O	391405699	KGJLDCZYEUBIEW-UHFFFAOYSA-N	217.656	-0.042	50	10	BBGE	
CC(=O)Cc1cc(C#N)ccc1B(O)O	396091846	GSGFSWFSZKYIQR-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)C[C@H]2C1	398875261	VWYOVHOWZUVXFA-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(C2CC2)cn1	402073396	PSKKPKIDRYICOO-VIFPVBQESA-N	224.264	-0.062	50	10	BBGE	
CNC(=O)N[C@H](C)c1cccc(B(O)O)c1	405145312	MFLFEWBHEKBJJE-SSDOTTSWSA-N	222.053	-0.644	50	10	BBGE	
O=C(CBr)N[C@H]1CCOC[C@H]1O	575588938	KSUWFFNJYDDJMG-NTSWFWBYSA-N	238.081	-0.353	50	10	BBGE	
Cc1c(CN2CC[C@@H](B(O)O)C2)cnn1C	585075942	KLGWQRIDPWSFGI-SNVBAGLBSA-N	223.085	-0.223	50	10	BBGE	
C#C[C@@H](CO)N1CC[C@@H](Br)C1=O	642830706	XZUONVZMAGCTMX-NKWVEPMBSA-N	232.077	-0.024	50	10	BBGE	
CN(CCC(=O)NN)CCc1nccs1	688782249	ZMHJUOQWIBICGM-UHFFFAOYSA-N	228.321	-0.003	50	10	BBGE	
Cc1nn(C[C@H](Cl)C(=O)O)c(=O)n1C	691701275	KKXVBGGFCXUNBO-YFKPBYRVSA-N	219.628	-0.418	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1CCN(C)C1	693438423	OZMZNELUSOJGEF-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H]3C[C@@H]3C2)c1	694562605	HZZBAOMXHMMIPS-UTLUCORTSA-N	220.081	-0.001	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC1CS(=O)(=O)C1	701893922	KTVWLZPTEPHXHQ-RXMQYKEDSA-N	225.697	-0.226	50	10	BBGE	
O=C(NCB(O)O)C1C[C@@H]2[C@@H](C1)C2(F)F	701932950	SVSRKOSNCVTFFL-PHDIDXHHSA-N	218.996	-0.594	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](N2CCC2)C1	702306493	QZSMDHIDGCIMRI-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
COC(=O)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703466143	PJEYNYAUCSXVEI-ACZMJKKPSA-N	227.216	-0.536	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](N2CCC2)C1	705307025	VLZAODPLGDALKT-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCn1cccn1	707434782	KXSLFFIHOQMUJK-SECBINFHSA-N	225.296	-0.417	50	10	BBGE	
Cc1ccc(B(O)O)cc1CS(C)(=O)=O	716783327	AWFCBSTWQDVUCP-UHFFFAOYSA-N	228.078	-0.781	50	10	BBGE	
CCc1sc(C(=O)O)cc1B(O)O	717917482	UOXRVKUBFYVYOK-UHFFFAOYSA-N	200.024	-0.312	50	10	BBGE	
C[C@@H](CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1)C(=O)NN	718166982	NHPZFIAVBASONZ-DAWVFNFOSA-N	239.319	-0.278	50	10	BBGE	
C[C@H]1C[C@H](Cn2cc(B(O)O)cn2)C[C@@H](C)O1	725126878	VQJDRQVZUARSKS-ILWJIGKKSA-N	238.096	-0.234	50	10	BBGE	
CC(=O)NC[C]1CC=C(B(O)O)S1	725596269	XAXONUSYFVLWFN-UHFFFAOYSA-N	200.048	-0.313	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)C2(F)CC2)nn1	844134789	JUHOXUDVHLYDRP-UHFFFAOYSA-N	239.210	-0.479	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)n1C	912677063	LTWQAGCPESHOPU-NBEYISGCSA-N	249.274	-0.208	50	10	BBGE	
O=C(NNC(=S)NC1CC1)c1cnsn1	918321442	QHZAABOXOADJFK-UHFFFAOYSA-N	243.317	-0.191	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccoc1	1134397120	QRRPXZYBTCRPDB-UHFFFAOYSA-N	222.160	-0.263	50	10	BBGE	
CC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O	1136045894	JSQJFAMWHNGDMJ-SSDOTTSWSA-N	215.253	-0.699	50	10	BBGE	
O=C(NNc1ncccn1)c1cc(O)ncn1	1141445500	PGPHPVJFLOGRCJ-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C	1556548404	RMKIHDJNZJWJFX-RFZPGFLSSA-N	231.208	-0.787	50	10	BBGE	
CCOCC(=O)NCCSS(C)(=O)=O	1558073962	YGCQLRSOPGICOF-UHFFFAOYSA-N	241.334	-0.168	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)C(=O)OC	1627208470	ZERZQVSIOOSPEI-ZETCQYMHSA-N	215.253	-0.190	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CC1)c1cnsn1	1637806445	QOAOIRHZBMFXHR-LURJTMIESA-N	242.260	-0.930	50	10	BBGE	
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN	1880022671	GPERDIFZBWORLQ-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
CNc1cc(C(=O)OC)cc(B(O)O)c1C	1887521142	UBZYWJNGASWZLF-UHFFFAOYSA-N	223.037	-0.497	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1([C@@H](O)CO)CC1	1888176920	CFXVOZLNNFFJHR-BQBZGAKWSA-N	221.684	-0.137	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1[C@@H]2CNC[C@@H]21	1893504556	JKSNZGLXWNNUFR-NBDWIFLDSA-N	214.652	-0.358	50	10	BBGE	
C=C(CO[C@@H]1COCC1(F)F)B(O)O	1895169535	NXRMCIZELDCONG-ZCFIWIBFSA-N	207.969	-0.395	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cnsc1B(O)O	1900455816	XCZZYSBWSJDMGU-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
C[C@@H](CN1C[C@H](O)C1(C)C)C(=O)NN	1900686217	KSWOYIFPCPIBEY-BQBZGAKWSA-N	201.270	-0.933	50	10	BBGE	
CC(C)=C(CN1CCN(C)C[C@@H]1C)B(O)O	1901615152	AKWMGTWEZVCEFH-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
CC1(F)CN(c2cc(B(O)O)c(F)cn2)C1	1903010471	PZRMYNHBMNTWPG-UHFFFAOYSA-N	228.007	-0.551	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)[C@@H]2COC[C@H]12	1905693785	SBPXUGPHZQNRSX-IVZWLZJFSA-N	243.307	-0.898	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914257974	HHSAHQIILJOYQN-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
CCCN(CCOCC(=O)NN)C1COC1	1915663536	FXYLLWOPVJDRSK-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CNC(=O)[C@H](C)N(C)CCC(C)(C)C(=O)NN	1916201352	CCAVEOJXCWWBML-QMMMGPOBSA-N	244.339	-0.541	50	10	BBGE	
O=C(NC[C@@H](Cl)CF)[C@H]1CCS1(=O)=O	1930860858	DGGAOJAWXWVLNS-NTSWFWBYSA-N	243.687	-0.133	50	10	BBGE	
O=C(CCl)N1CC[C@H]2CS(=O)(=O)C[C@@H]21	1931357629	MMPZUYSLLBINSH-BQBZGAKWSA-N	237.708	-0.129	50	10	BBGE	
O=C(O)CC1(CC(=O)NNCCO)CC1	1932720222	IZEORNNLBYSLPY-UHFFFAOYSA-N	216.237	-0.756	50	10	BBGE	
Cn1nnnc1[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1934445128	BTHUSORMKRLTOX-UHNVWZDZSA-N	236.684	-0.671	50	10	BBGE	
C[C@]1(CO)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936082175	CWALGVWOSNIOOC-QXEWZRGKSA-N	227.308	-0.683	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C(=O)N(C)C)C1	1940303457	MJEOFMLYGJUJAV-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCCCNC(=O)CC1	1941351645	YMDXMOZDVADJJC-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)CCOCC(=O)NN	1941772230	GFQLLLMCHNLHRK-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
CN(C)C(=O)OC1CN(CCCC(=O)NN)C1	1942664375	XGNWKPMZYJMZRG-UHFFFAOYSA-N	244.295	-0.861	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1944603615	GUXGXICGOCKECN-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COCC[C@@H]1CCCN(CCC(=O)NN)C1=O	1945615055	IMUSCRJDZKWIFE-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCC2)C[C@H]1CO	1946223473	QPJWBZWTJUSIGT-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CCN1C[C@@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1950679824	SMHNLWSQJXTDMX-GHMZBOCLSA-N	239.319	-0.598	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@H]2CN)CC1	1951183244	HKITTZMAMMWRTE-UWVGGRQHSA-N	237.303	-0.152	50	10	BBGE	
O[C@@H](CCl)CN1CCN(C2COC2)CC1	1961189504	QXUODNJOHNJRHJ-JTQLQIEISA-N	234.727	-0.398	50	10	BBGE	
CCCN(C)c1ncc(B(O)O)cc1F	1961718380	NZVIUWKYRMGYMV-UHFFFAOYSA-N	212.033	-0.253	50	10	BBGE	
C[C@]1(NC(=O)CCCl)CCC(=O)NC1=O	1961732613	NEJGFUONOVXANZ-VIFPVBQESA-N	232.667	-0.073	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](CCO)C(F)F	1975123737	ZTYHYFMSGDYMTJ-PHDIDXHHSA-N	225.239	-0.687	50	10	BBGE	
C[C@@H](C(F)F)N(C)CCOCC(=O)NN	1975171980	WABICQDPDNVACG-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
CC(C)CC(=O)Nc1ccc(B(O)O)cn1	1976031954	NWXAEJQNJMYZFY-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CN(CCOCC(=O)NN)CC1[C@H]2CC[C@H]12	1976587287	YFAJQZCLZXAKQH-IUCAKERBSA-N	227.308	-0.419	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@H]1C[C@H]1C(=O)NN	1977878856	QYHINDPPTJLZKN-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(C)CC(=O)N=c1nc(B(O)O)[nH]s1	1979353352	IQJGVKWPEWKQAC-UHFFFAOYSA-N	243.097	-0.986	50	10	BBGE	
CN1CCC2(CC1)CCN2CCC(=O)NN	1980826537	VGCWQZYHWWJRHJ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1	1981083758	WGDMFWHBPWBQCN-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CC(F)F	1981469854	ZITCQLQEERAQCT-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
C[C@H](CN(C)CCCCN(C)C)C(=O)NN	1983937063	WEWPTOGNJVNKIC-SNVBAGLBSA-N	230.356	-0.114	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC1)CC(O)C2	1986976392	QYXHACFRUXSXAG-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)C(=O)NN	1989052285	OWIUVOQESIUTCM-SYHAXYEDSA-N	223.276	-0.663	50	10	BBGE	
O=C(CC1COC1)N[C@@H]1CCC=C1B(O)O	1991345992	RRJJPKWTBSKAKS-SECBINFHSA-N	225.053	-0.760	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1C(=O)C=CC(=O)Cl	1991647359	CNXKCTWTHOSBIU-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
NC(=O)N1CC(CNC(=O)/C=C/C(=O)Cl)C1	1991708908	AXBOOOJWAGWYLO-OWOJBTEDSA-N	245.666	-0.565	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]12CO[C@](C)(C1)C2	1993938816	GKUGDUUYJAXWAY-INTQDDNPSA-N	227.308	-0.134	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)C(=O)NN)ncn1	1995109699	MMEVDNMKVCWLJN-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
CCC[C@@H](C)C(=O)Nc1ncc(B(O)O)cn1	1996647861	SEQNXUHFGCWWBE-SSDOTTSWSA-N	237.068	-0.469	50	10	BBGE	
CCN([C@H](C)CCC(=O)NN)[C@@H]1CCNC1=O	2004314248	ODJQOEBLKFJRHF-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CCC1(CN(C)c2ncc(B(O)O)cn2)CC1	2004917098	UOPPOYHSHHJWBV-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1cccnc1N1CCC(F)(F)CC1	2004934984	JXDXGCFAOLDMEC-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
Cc1cnc(N2CC3(CCO3)C2)c(B(O)O)c1	2005016971	XRBIADVWTSXORS-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@H]1C[C@H]1F	2006989571	UPAHNLDMTXIDMD-VHSXEESVSA-N	237.039	-0.659	50	10	BBGE	
CCC(C)(CC)C(=O)N[C@@H](CB(O)O)C(=O)O	2011191606	DKKWHGULGMOETN-ZETCQYMHSA-N	245.084	-0.145	50	10	BBGE	
CC(C)(CCN1C[C@H](O)C12CCC2)C(=O)NN	2023235806	FHMNKLFUPVSKGS-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CN1CCN(Cc2cccc(B(O)O)c2)[C@H]2C[C@H]21	2049378640	FCVIFXUWZKNAFN-OLZOCXBDSA-N	246.119	-0.745	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CCO[C@H]3C2)c1	2052033372	HSHIBBCTTJGUMX-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1cnc(N(CC2CC2)CC2CC2)nc1	2052468449	CYENQHRKXBNYOM-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1[C@H]2COC[C@H]21	2054203723	LMWIHJQYTNCTII-JGPRNRPPSA-N	247.059	-0.803	50	10	BBGE	
COc1cc(Cl)c(C#N)cc1B(O)O	2060102076	AZFZBKFRDULZQT-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
CCOc1c(B(O)O)ccc(C=O)c1[N+](=O)[O-]	2060137300	SWVDPYQPHACYPE-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2071017342	CRPOCQKZAKWVNF-CYOKLVMASA-N	246.075	-0.563	50	10	BBGE	
C[C@@H](C(=O)N[C@@H]1CCC=C1B(O)O)n1cccn1	2076076455	NYAGBVORHNFAGS-WCBMZHEXSA-N	249.079	-0.339	50	10	BBGE	
Cn1ncnc1COCc1ccccc1B(O)O	2080319308	QCSJMTWQUAIVPZ-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
NNC(=O)C1(CSC2CNC2)CCC1	2209998802	LMNOQBZYCCVMEU-UHFFFAOYSA-N	215.322	-0.148	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3C[C@H]32)c1	2212601737	SEBYAMFFKRTMEW-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
C[C@@H](N)CCCOc1ncccc1B(O)O	2212601857	UVGNZFZOAJOEPT-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
CO[C@@H](C)CN(C)c1cc(B(O)O)ccn1	2212603054	MNIZLWGVHNEZFT-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
CCCCCN=c1[nH]ccc(B(O)O)c1F	2212605516	GGCGOQKNTMVCDA-UHFFFAOYSA-N	226.060	-0.076	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2213888885	GCXSWIKOEOOEJV-AEJSXWLSSA-N	247.314	-0.204	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCCC[C@@H]1CO	2215775377	GOFIXKCMCSRZQJ-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H]2CC1=O	2215778288	YIUQBBJSSJJZCF-DOLQZWNJSA-N	237.303	-0.129	50	10	BBGE	
CC(C)(O)[C@H]1CCN1CC1(C(=O)NN)CCC1	2216491548	YKZVGNCWIJTGOM-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CO)CC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2216752541	VYVWAIQWHRHOFS-AEJSXWLSSA-N	243.351	-0.049	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCCN2)cc1B(O)O	2217165968	KBHMHHDLZKWMPZ-VIFPVBQESA-N	236.080	-0.799	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@@H]2CCCO[C@@H]21	2217178953	CWUCNGAARVKAMU-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2OCC[C@@H]2F)nc1	2217183461	LLHUFKCXMVALFW-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
N#CC1(O)CCN(c2cncc3ncnn23)CC1	2219508611	XZOVTYNVZGUSTN-UHFFFAOYSA-N	244.258	-0.021	50	10	BBGE	
OB(O)c1ccc(NC2CC3(CCNC3)C2)nc1	2223677405	NQBYUGRCWBXCOU-UHFFFAOYSA-N	247.107	-0.685	50	10	BBGE	
NC(=O)c1nc(CNC(=O)CCl)no1	2241702481	IDWXYBJAQKIUTO-UHFFFAOYSA-N	218.600	-0.977	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cscc2B(O)O)C1	2243348148	UPKJJEZRZXEBDH-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)s1)C1CC1	2243349760	QBIUNJFNKNYPQQ-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccoc1B(O)O	2243356287	FFEFYTBGOHVCOO-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1csc(B(O)O)c1	2243362957	ZALKWWHPKCBNSV-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
NC[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243366213	YTLICUBYLRVWBD-SFYZADRCSA-N	226.085	-0.763	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1C[C@H]2C[C@@H]2C1	2243378805	ZOTSXZHZNDJFJI-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COC[C@H]21	2243391097	GJSKHPHNUUVRAR-GPCQJSLASA-N	225.053	-0.903	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCCN1	2243396888	SFBQUZNGIDXKLG-VGMNWLOBSA-N	226.085	-0.940	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1ccc(B(O)O)o1	2243398790	GYAAYWLSPPRNBV-NTSWFWBYSA-N	227.000	-0.953	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ccoc1B(O)O	2243407122	LVBQLUFKZGBQPF-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
C=C(CC)CNC(=O)c1nscc1B(O)O	2243408845	WLHREVMIQPZHBP-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2243413784	NIIKAXMBYDAGKB-DTORHVGOSA-N	221.065	-0.136	50	10	BBGE	
CCON(C)Cc1c(F)cccc1B(O)O	2245269809	AXZVJHAIHNIGQF-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CCN(C)C[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2245520961	MGFOTKFTOBXEIW-QWRGUYRKSA-N	227.308	-0.133	50	10	BBGE	
CC1CN(C(=O)Nc2ccnc(B(O)O)c2)C1	2246750164	NWRQZDJHDWBCEB-UHFFFAOYSA-N	235.052	-0.755	50	10	BBGE	
CC[C@@H](CNC(=O)c1coc(B(O)O)c1)OC	2247732881	KHYWEXQTDBKARP-QMMMGPOBSA-N	241.052	-0.886	50	10	BBGE	
O=C(C#CB(O)O)N1CCCO[C@@H]2CCC[C@H]21	2247744390	SBRGOBVDAXNGRG-NXEZZACHSA-N	237.064	-0.828	50	10	BBGE	
CCCCNC(=O)c1cn(CC)c(B(O)O)n1	2247745521	KOCNWBULMNSBMC-UHFFFAOYSA-N	239.084	-0.887	50	10	BBGE	
O=C(NCC1CC1)c1ccc(F)cc1B(O)O	2247751748	BPJADXQKXAWUIZ-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1C[C@@H](O)C2)C1(B(O)O)CC1	2247756240	RZNVQPHCWRTWFV-AYMMMOKOSA-N	239.080	-0.492	50	10	BBGE	
CC(C)[C@H](C)N(C)C(=O)c1n[nH]cc1B(O)O	2247782229	SCGMAIQROHJQJP-ZETCQYMHSA-N	239.084	-0.794	50	10	BBGE	
CC(C)C[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247783165	ANQFSLQNXLOXAK-SSDOTTSWSA-N	239.084	-0.746	50	10	BBGE	
COCCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247786459	BBWRSRBQHOVETH-AOOOYVTPSA-N	241.096	-0.266	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787714	SQPYZXMQOBFUJX-KXUCPTDWSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247798923	YIHPOFRGKAYBKY-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
CCC[C@H](O)CCNC(=O)C1CC(B(O)O)C1	2247799171	AFAGSUNFMVKOIO-RTBKNWGFSA-N	243.112	-0.093	50	10	BBGE	
CC1CC(C)(NC(=O)c2c[nH]nc2B(O)O)C1	2247800615	QRVCSPWILCXDQB-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCCO1	2247800799	SWFXSZXCZQHZDM-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
Cc1cnc(CNC(=O)C2CC(B(O)O)C2)[nH]1	2247800805	SXLKNAJMNWKNQO-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1C(=O)C1CC(B(O)O)C1	2247809218	YHXHRXWQADZILS-WOOKNIGNSA-N	241.096	-0.389	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2247809231	YKCSCTPUIQDGTA-BDAKNGLRSA-N	240.112	-0.598	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C2(CCC2)C1	2247809261	OKPKDRNTWOKEJR-YIZRAAEISA-N	238.096	-0.668	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CCO2	2247848760	QAIVTAHOFWTWIA-UHFFFAOYSA-N	231.016	-0.425	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)C[C@H]1C(F)(F)F	2247849992	IJPXQWAESHWERL-RNFRBKRXSA-N	248.997	-0.341	50	10	BBGE	
Cc1ccc(C(=O)NCCCF)c(B(O)O)c1	2247874225	KMFWVSZGUZZTQT-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C1CCNCC1	2247874544	RKEQFKLESBJNKS-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCC[C@H]1O	2247879620	WGNIBDDSAXSUCZ-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
O=C(N[C@]1(C2CC2)CCOC1)[C@H]1C[C@H]1B(O)O	2247886695	FJMZIKWFYBVWMR-IQJOONFLSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247887650	QJQUAUHNOFBPJR-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894308	FMFTYLODPWPMJD-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
O=C(NCC1CCOCC1)[C@H]1C[C@@H](B(O)O)C1	2247894759	KPKZHSHEJUXHJC-AOOOYVTPSA-N	241.096	-0.218	50	10	BBGE	
Cc1cccnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247897077	NRNXGZWHXGKPEE-BDAKNGLRSA-N	234.064	-0.131	50	10	BBGE	
CCN(CCC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248575025	XTRLZPNAUUUECV-OCAPTIKFSA-N	243.068	-0.437	50	10	BBGE	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2248585423	LFDFUUKSNULSJR-RNFRBKRXSA-N	241.052	-0.780	50	10	BBGE	
CC[C@H]1NCC[C@H]1Oc1ccc(B(O)O)cn1	2251041494	CVHHDJOETFHTKE-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1cncc(B(O)O)c1	2255523823	UNNOFSOXRQSKJM-WPRPVWTQSA-N	248.091	-0.511	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2255679952	WHIXCBGYIGOSEZ-RBXMUDONSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1O[C@H]2C=C[C@H]1CC2	2255731340	DLMKPILLURCFBC-IUCAKERBSA-N	249.031	-0.566	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C2COC2)c1	2255734625	DRWGQQXNDNCVCE-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C=CC=CCCNC(=O)c1cc(B(O)O)cn1C	2255736011	FQBVCIHTWQXPLH-UHFFFAOYSA-N	248.091	-0.433	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCCCC#N)c1	2255736697	RWFRGKPRUULJMK-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@H]1CC1CC1	2255765049	LDHUODSVMSHMNC-QMMMGPOBSA-N	249.079	-0.896	50	10	BBGE	
O=C(NCCc1cnccn1)C1CC(B(O)O)C1	2255789640	KGWLMMKFXIIUBB-UHFFFAOYSA-N	249.079	-0.612	50	10	BBGE	
C#CC(C)(C)NC(=O)Nc1ccccc1B(O)O	2255890185	MKMGIXIVXQXNLR-UHFFFAOYSA-N	246.075	-0.100	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1[C@H]2C=CC[C@H]1CC2	2258128120	NGURRPRKFWJCMV-UWVGGRQHSA-N	247.059	-0.108	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)co2)C1	2258131945	ATOGJUQLYHYGMZ-SCZZXKLOSA-N	247.059	-0.509	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1Cc2ccccc21	2258958944	ZPLWCPOABAQTEW-GFCCVEGCSA-N	243.071	-0.152	50	10	BBGE	
Cc1cnc(C(=O)NCCC#CB(O)O)c(C)c1	2258959680	VHKYYRCZZQKMDQ-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3ccncc3B(O)O)C[C@H]12	2297850250	NSVHZRDRJANOJQ-IVZWLZJFSA-N	232.092	-0.146	50	10	BBGE	
O=C(N[C@H]1CCCC12CNC2)[C@H]1C[C@H]1B(O)O	2298368776	XGLMIOIYIFVFTK-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
C#C[C@@H]1N(c2ncccc2B(O)O)CC1(C)C	2299560804	YWSLDAUFIWFCNV-JTQLQIEISA-N	230.076	-0.391	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	2302211360	MYEUVHQCDVCIDS-NZHYYXIDSA-N	239.319	-0.278	50	10	BBGE	
CO[C@H](C)CN(C)c1cc(B(O)O)c(F)cn1	2303834249	CFOHCOYMCRAIFH-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@H]1CCc2nccn21	2306900369	WFPFYXXGEUCLBL-ZCFIWIBFSA-N	246.217	-0.030	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]c1	2312612281	NKVYTWGAUPJPJX-AXFHLTTASA-N	244.103	-0.193	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2cc(B(O)O)c[nH]2)CC1(C)C	2314525548	LURASTVDIAOBQQ-JTQLQIEISA-N	246.075	-0.822	50	10	BBGE	
OB(O)c1ccc(OC[C@]23C[C@H](CCN2)C3)nc1	2314968647	YZOSTDNDHGPXHG-WVSHTKLVSA-N	248.091	-0.718	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1(CN)CCC1	2317165905	PLEZCMYMSDRGCR-UHFFFAOYSA-N	245.091	-0.469	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1CC(CN)C1	2317207900	VWYJDTFNECUIEX-UHFFFAOYSA-N	246.075	-0.646	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1c1ccc(C=O)c(B(O)O)c1	2317306651	QUSNIAFLEWUMDP-PRHODGIISA-N	249.075	-0.862	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@@H]1CO	82470386	FMJSRSJZHWYBCP-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCSc1n[nH]c(=O)n1C1CC1	82472683	YKAQZIJAXCCARM-UHFFFAOYSA-N	243.292	-0.622	50	10	BBGE	
NNC(=O)c1sccc1CN1CC[C@@H](O)C1	82501581	UDHHCDWVSSXQHB-MRVPVSSYSA-N	241.316	-0.082	50	10	BBGE	
C[C@H](Sc1nncn1C)[C@@H](C)C(=O)NN	86313913	ARVCADPTTHHYHB-RITPCOANSA-N	229.309	-0.078	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@@H]1COC[C@@H]1C(=O)O	149059847	GWEJJCNORSQJNV-JGVFFNPUSA-N	245.279	-0.406	50	10	BBGE	
COCC[C@@](N)(CCCCB(O)O)C(=O)O	198061215	LNFCAHJJYMMYSQ-VIFPVBQESA-N	233.073	-0.552	50	10	BBGE	
CN(C=O)Cc1cc(B(O)O)ccc1F	208608125	UXZUUQBQPXLCKR-UHFFFAOYSA-N	211.001	-0.906	50	10	BBGE	
CN/C=C(/C#N)C(=O)N1CCN(C(C)=O)CC1	216992629	APCVIIDGAOFNNP-NTMALXAHSA-N	236.275	-0.696	50	10	BBGE	
C[C@@H]1CCN(C(=O)NN(C)C)[C@@H]1C(=O)O	227072276	ILGZNWBKPJKQAK-RQJHMYQMSA-N	215.253	-0.032	50	10	BBGE	
C[C@H](O)[C@@H](N)COCCOCCCl	238459467	OSJDTJMBRKNWBK-YUMQZZPRSA-N	211.689	-0.034	50	10	BBGE	
Cn1cccc1C=NNC(=O)c1ccc(=O)[nH]n1	263629537	SQAQCSVFUNOLPS-UHFFFAOYSA-N	245.242	-0.128	50	10	BBGE	
C[C@@H](CN)OC(=O)CSS(=O)(=O)O	379342018	BGNVFWIVTBEEFV-BYPYZUCNSA-N	229.279	-0.587	50	10	BBGE	
CCN(C[C@@H](C)OC)[C@H](COC)C(=O)NN	383059351	HTJHZQLUZFAXRG-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1CCCC(=O)NN	385918787	SLPJVOCALZCVRB-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCSC[C@@H]1CO	388089424	CRUPOIHAJQFNET-YIZRAAEISA-N	247.364	-0.589	50	10	BBGE	
CC(C)(CCN(CC#N)CC#N)C(=O)NN	395596829	RRBSEZHQLHEPCA-UHFFFAOYSA-N	223.280	-0.258	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@H](C#N)C1	395700544	HPXOGISKXSZTKD-BDAKNGLRSA-N	240.307	-0.385	50	10	BBGE	
N#CCc1nc2cccc(B(O)O)c2o1	396107867	UVYLIVLAJNLAHO-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
COc1ccc(B(O)O)cc1N[S@@](C)=O	404969992	NKGPOOGGYHVZLM-OAHLLOKOSA-N	229.066	-0.920	50	10	BBGE	
COCC(=O)Nc1ccc(F)c(B(O)O)c1	405063111	RUNQIYLTIJUGOV-UHFFFAOYSA-N	227.000	-0.910	50	10	BBGE	
OCc1cc(F)cc(B(O)O)c1S	575706458	WFLSANXCBOXZHD-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1cccc(B(O)O)c1	585000638	NFRKYCNXLYPORR-NXEZZACHSA-N	245.087	-0.105	50	10	BBGE	
C[C@]1(O)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1	585001285	VRXQCENSNFRUED-KLPPZKSPSA-N	249.075	-0.990	50	10	BBGE	
OB(O)c1ccc(CN[C@@H]2CCCOC2)cc1	585038194	VXRDLLLEHKZCNM-GFCCVEGCSA-N	235.092	-0.365	50	10	BBGE	
C[C@@H](Br)CNC(=O)c1nnn(C)n1	697203116	CGVJVMPWFDBDAS-SCSAIBSYSA-N	248.084	-0.277	50	10	BBGE	
COC[C@@H](CCCl)NCc1nnnn1C	697710538	KUASHEQCLRHQPG-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
O=C(/C=C\c1ccc(F)cc1)NCB(O)O	702028795	FWSICYJPKNZZNU-UTCJRWHESA-N	223.012	-0.033	50	10	BBGE	
C[C@H](CO)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703476336	HZCLAZLYGFSRKJ-HXFLIBJXSA-N	227.260	-0.080	50	10	BBGE	
CCOC[C@H]1CN(C[C@@H](C)C(=O)NN)CCO1	705879502	ROIDIKLSUJKWMH-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CN1C[C@]2(C)CN(CCC(=O)NN)C[C@@]2(C)C1	706290033	MOFYJHBQDGEKTM-VXGBXAGGSA-N	240.351	-0.360	50	10	BBGE	
C[C@@]12CCCC[C@@H]1CN2C(=O)C(=O)NN	707202373	ZSPUQTXVXQLQQM-GMSGAONNSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H](C)c1cnn(C)c1	710155906	IFJDLHCWKSNZDH-SFYZADRCSA-N	225.296	-0.209	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2COC[C@H]2C1	718160786	OPYUVHIZZOBWDM-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1	718909319	JHKMYGNCJXVJKO-LURJTMIESA-N	227.186	-0.041	50	10	BBGE	
NNC(=O)CN1CCC[C@@](O)(C(F)(F)F)C1	718913982	YWPXDZFQCQFYBE-ZETCQYMHSA-N	241.213	-0.635	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCC1CC2	722806255	IPYAITQGPDMOBC-SNVBAGLBSA-N	226.324	-0.465	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1C=CS[N]1	725711520	BZZMMAUGFPPZOY-SECBINFHSA-N	249.080	-0.547	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1cnn[nH]1)C1CC1	747908108	UVKLREJGFHGCAZ-YFKPBYRVSA-N	223.236	-0.388	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)CO	776780305	FSULHRMGIAOEBQ-SSDOTTSWSA-N	234.277	-0.952	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(N)=O	847345082	CEYBMHJWGFJHGG-LURJTMIESA-N	244.295	-0.373	50	10	BBGE	
C=CCCNC(=O)NNC(=O)[C@H]1COCCO1	852164864	SZPQJXCGQZSTSN-MRVPVSSYSA-N	243.263	-0.692	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)NC2CC2)C1	900382546	FLZRGZKFSPVJJB-POYBYMJQSA-N	227.264	-0.096	50	10	BBGE	
O=C1CC[C@@H](CNS(=O)(=O)CCl)CN1	1260937632	DOPIFOFBYGVYEO-ZCFIWIBFSA-N	240.712	-0.372	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CCCOCC1	1326643218	LYMXSLVWRUUHLD-SSDOTTSWSA-N	215.253	-0.237	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@H]1CCC(=O)O1	1332136056	PPKYPRKUPBOPNU-RXMQYKEDSA-N	231.277	-0.841	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnns1	1597966401	PIHWGTVEOVCJHV-UHFFFAOYSA-N	215.238	-0.546	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CC[C@H]1C(=O)O	1878054155	LGHCQDIZZJDXKS-PHDIDXHHSA-N	201.226	-0.375	50	10	BBGE	
O=[N+]([O-])C1CN(S(=O)(=O)CCCl)C1	1883145510	LLQWUKNEURTZLL-UHFFFAOYSA-N	228.657	-0.484	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCc1nnnn1C	1884749118	WXFFCPRLYIIVPA-RXMQYKEDSA-N	217.660	-0.504	50	10	BBGE	
Cn1cc(S(=O)(=O)NC#N)c(CCl)n1	1885414059	FUJJZQFTHSJXIE-UHFFFAOYSA-N	234.668	-0.082	50	10	BBGE	
CCCOCC(=O)NCC=CB(O)O	1892919706	KZYJWSBUNWNTDC-UHFFFAOYSA-N	201.031	-0.903	50	10	BBGE	
O=C(O)C1(N[C@H]2C[C@H](Cl)C2)CNC1	1892922700	XYXLUHMKTZATLE-IZLXSQMJSA-N	204.657	-0.228	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1895057075	QSFKKQKDROYKJC-JKUQZMGJSA-N	233.218	-0.616	50	10	BBGE	
C=C(CO[C@@H]1COCC[C@@H]1C)B(O)O	1895211757	JLAARCNSKQGUCX-IONNQARKSA-N	200.043	-0.004	50	10	BBGE	
CCN(CCO)C[C@@H]1CC[C@H](C(=O)NN)C1	1895941677	WGPUMBCSSAYHCG-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2C)c(B(O)O)s1	1899939728	OFEBSVHQGZJOFI-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1O	1902070401	FIBCTBBNNXAAAB-KRTGUUSXSA-N	227.069	-0.921	50	10	BBGE	
OB(O)[C@H]1CCN(CCCc2ncno2)C1	1902527844	CCKAZQYZLBXIPU-QMMMGPOBSA-N	225.057	-0.449	50	10	BBGE	
C[C@@H]1C[C@H]1CCCOc1ncc(B(O)O)cn1	1908602015	UVKRSDCURXASRO-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2CCO[C@@H]2C1	1908721408	WHKUGORQTUEMLP-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
COC1(C(F)(F)C(=O)NCB(O)O)CCC1	1912538594	XWPZQZBGLASRCL-UHFFFAOYSA-N	237.011	-0.681	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC12CC2	1913623592	RMZQENIQDMLQBY-ZETCQYMHSA-N	232.048	-0.500	50	10	BBGE	
COC(=O)[C@@H](N)CC(=O)NCC(Cl)Cl	1913921079	AUPXJCRKJWJXBM-BYPYZUCNSA-N	243.090	-0.203	50	10	BBGE	
CC(C)CCN(CCO)CCOCC(=O)NN	1924521802	ZCPGBSAAPPQBFF-UHFFFAOYSA-N	247.339	-0.667	50	10	BBGE	
CN(CCC(=O)NN)CCn1ccnc1	1930064083	ISVRMLUVHKRAOB-UHFFFAOYSA-N	211.269	-0.805	50	10	BBGE	
C[C@]1(CCl)CN(CCS(N)(=O)=O)C1=O	1931736360	XMXYHRJOPYOYAQ-ZETCQYMHSA-N	240.712	-0.638	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C(C)(C)O)C1	1932095970	FCNUZQKBZNHNSF-QMMMGPOBSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCl)NC(=O)NCc1ncno1	1932169311	QBFYQCJXCOLLCC-UHFFFAOYSA-N	218.600	-0.366	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1C[C@H]2COC[C@@H]2C1	1939477619	JBPMLUPLLNJQEO-VGMNWLOBSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1940889627	GMEAHKVVIKINAW-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H]1CN(C)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941074647	TYMIVIIAJODHFH-MXWKQRLJSA-N	240.351	-0.504	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1941087026	LFOFWBNMRSYCDM-FKSUSPILSA-N	239.275	-0.747	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC1(O)CCCC1	1941087281	MLNLONKOWBOBIC-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@@]1(CO)C2	1942120366	VRYYDQNVEBVQDI-ONGXEEELSA-N	241.291	-1.000	50	10	BBGE	
O=C(N=C=S)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1954212478	QQXCVPUQVXMDCU-FPFOFBBKSA-N	217.271	-0.094	50	10	BBGE	
NNC(=O)N1CCC[C@]12CC[S@@](=O)C2	1955271995	XFSHCMXELJUAIG-XLKFXECMSA-N	217.294	-0.443	50	10	BBGE	
O[C@H]1C[C@@H](O)CN(CCOCCCl)C1	1955652298	PULJUBOZNGABIY-DTORHVGOSA-N	223.700	-0.331	50	10	BBGE	
CO[C@H]1C[C@H](OCC(=O)NN)C[C@H]1OC	1957610457	BVQYMTDSKGOUPB-WHUPJOBBSA-N	218.253	-0.815	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1960964266	JSBVDOVOEKUSAC-YIZRAAEISA-N	212.297	-0.857	50	10	BBGE	
CCCN1CCCN(CC(=O)NN)CC1	1961248560	XNCORFHGBQHVDP-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
NNC(=O)CN1CCOc2ncccc21	1961462150	RAICPKXTKYPASV-UHFFFAOYSA-N	208.221	-0.730	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@@H]2C[C@@H]21	1961508249	IALFJZJOHVCVKD-UYXSQOIJSA-N	213.281	-0.526	50	10	BBGE	
CCCCOc1nc(C)ncc1B(O)O	1961695792	JAFVGYUBLSAGRH-UHFFFAOYSA-N	210.042	-0.356	50	10	BBGE	
CN(C)NC(=O)C12CCC(CN)(CC1)OC2	1975576841	IAPPXSYGDJKAAT-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@H]1NC(=O)C(=O)NN	1977515104	OJKDTZZDLFKPAU-XLPZGREQSA-N	229.280	-0.704	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)Cc1nsc(C(=O)NN)n1	1981535542	JFXJJMOJPGRVFO-PHDIDXHHSA-N	241.320	-0.018	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)c1ccnn1C	1981560879	VHNYRBTWXJVZKN-VIFPVBQESA-N	225.296	-0.129	50	10	BBGE	
Cc1nc(O[C@H]2CC2(F)F)ccc1B(O)O	1985882341	AGWYYCIWTNDIRW-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCc2ccoc21	1985948985	RTXRCQSBJOAZLQ-ZETCQYMHSA-N	223.232	-0.237	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(CC[C@H]2O)C1	1986977523	VSLSWBXQGJCQOZ-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1OC2(CN(C)CCC(=O)NN)CC1C2	1989835833	YMZGTIXFBWHNLR-SILCLGDVSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2CSC[C@H]2C1	1990775503	WJCJNDRPVIAETB-RKDXNWHRSA-N	243.332	-0.552	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CCCOCC1	1991330316	LQHMMENWVQEAMO-VIFPVBQESA-N	227.069	-0.513	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C(=O)C=CC(=O)Cl	1991653816	DIIFFMSZZDXVAN-QMMMGPOBSA-N	248.710	-0.311	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)[C@H]2C[C@H]2Cl)CC1	1991677337	KEDIVHXXZHPKOS-NKWVEPMBSA-N	246.694	-0.548	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1CCOC[C@H]1F	1991732196	QLCXXCZKDIDAQQ-RITPCOANSA-N	242.197	-0.245	50	10	BBGE	
C[C@H]1C[C@@H]1COc1ncc(B(O)O)cc1F	1993077536	UYILOJYYTCOHGJ-NKWVEPMBSA-N	225.028	-0.065	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1993463296	CYTCPTHIIWQUMH-HTQZYQBOSA-N	229.324	-0.154	50	10	BBGE	
CP(C)(=O)COc1ncc(B(O)O)cc1F	1994804424	KQMLMSUIIUQIOA-UHFFFAOYSA-N	246.971	-0.141	50	10	BBGE	
CCc1noc(CN(C)C[C@@H](C)C(=O)NN)n1	1997740983	VQLLNQDSIZNAPU-SSDOTTSWSA-N	241.295	-0.310	50	10	BBGE	
C[C@H](CN)[C@@H](F)C(=O)N1CCC(O)(C#N)CC1	1998677105	GMZCZMOYRUPUEU-RKDXNWHRSA-N	243.282	-0.204	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)[C@H]2C[C@H]21	2002910851	UOKJGGARFFSDJJ-KXUCPTDWSA-N	240.351	-0.221	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCc2c(ncn2C)C1	2003937708	HOBAYHADACSMPJ-SECBINFHSA-N	237.307	-0.453	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCCN2CCC(=O)NN)C1	2004308098	ZOXDGYITFZDTDQ-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3CC[C@H]3C2)c1B(O)O	2004918081	HEPGUEYYLKQFBF-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1ccnc(O[C@@]2(C)CCOC2)c1B(O)O	2004925669	SZFVXMQTBGODED-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](C2(O)CC2)C1	2013924400	BZTXXVXTFGDWHJ-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C)N(C)c1ncc(F)cc1B(O)O	2014925661	DFLAAHBHCQJDBR-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CC(=O)NNC(C)=O	2019209845	LYBPMJRGDJNVCH-IVZWLZJFSA-N	241.291	-0.737	50	10	BBGE	
O=C(NCC=CB(O)O)C1C[C@H]2[C@H](C1)C2(F)F	2020056547	LYZMFDBDQVNJJK-YUMQZZPRSA-N	245.034	-0.038	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)c1cocn1	2031814841	JKHVMSKIMDWTEF-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(C[n+]1ccccc1)NN=Cc1cnc[nH]1	2033812150	IZLLVQUROUCDKM-UHFFFAOYSA-O	230.251	-0.153	50	10	BBGE	
Cc1ccnc(N(C)c2cnn(C)c2)c1B(O)O	2052472575	RXAXPINQCUHGKD-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
Cc1nc(N2C[C@@H]3COC[C@H]3C2)ccc1B(O)O	2052625531	MIRHSCMJZQCVPW-NXEZZACHSA-N	248.091	-0.848	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@H]3C2)c(B(O)O)c1	2052628252	XRQUTMUJSYNOBB-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
O=Cc1ccc(F)c(Cl)c1B(O)O	2060105650	HKPMPDGTLCQFIH-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)cc1C=O	2060131590	KSIHJYLWAHQETH-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
COc1cc(C#N)c([N+](=O)[O-])cc1B(O)O	2060289749	FPRUVTNJHWARCT-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
O=C(c1cc[nH]n1)N1CCC(B(O)O)CC1	2208630187	ZPQJVMUPFCGIJF-UHFFFAOYSA-N	223.041	-0.511	50	10	BBGE	
Cn1nnnc1CNCC#CCCCl	2209515137	SIBHSTNUBKWLIX-UHFFFAOYSA-N	213.672	-0.068	50	10	BBGE	
Cn1cccc(N2CC(=O)OC(=O)C2)c1=O	2210240840	XUDKAAXOEAYOHZ-UHFFFAOYSA-N	222.200	-0.725	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2210730291	CXULWMOZEQMGRE-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)CC(=O)NNC(C)=O	2214966049	YFZVPMIEHARHDO-ZJUUUORDSA-N	243.307	-0.490	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1ccnc(B(O)O)c1	2214995130	SKLHEISVYCBOJP-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@](F)(CO)C1	2215770638	CTNSNEWFMVQMFI-NGZCFLSTSA-N	245.298	-0.591	50	10	BBGE	
CCCC1(O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215777492	SUCZCHHLAAQFPQ-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCOC[C@H]1C2	2217182605	BOCLVTCVGVKVLR-LDYMZIIASA-N	234.064	-0.648	50	10	BBGE	
C[C@H](CNC1CC1)Oc1cc(B(O)O)ccn1	2217186979	RKMVECPLCDMIOY-MRVPVSSYSA-N	236.080	-0.719	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Oc1cc(B(O)O)ccn1	2217189070	XPKAPWLCWMTXGA-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H]1CNC[C@@H]1Oc1cc(B(O)O)ccn1	2217189490	DWISYIIJDDZHHM-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H](N)CCCOc1cc(B(O)O)ccn1	2217195040	DVKIHYASIKSWIK-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
C[C@](N)(COc1cc(B(O)O)ccn1)C1CC1	2217195224	HIYWWZQOIONNHK-NSHDSACASA-N	236.080	-0.732	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1c1ncccc1B(O)O	2217196215	QQUGLTHLOXVURY-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
N[C@@H]1CCCCN(c2ncccc2B(O)O)C1	2217199810	FYSQTSUKWPQCKE-SECBINFHSA-N	235.096	-0.921	50	10	BBGE	
CCC(N)(CC)CNc1ncccc1B(O)O	2217203553	WTXZGOUANSZAFW-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@H]1O	2217204693	NNHGTZKOLLCXNW-NXEZZACHSA-N	236.080	-0.889	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC3CC2C3)n1	2222319034	ZUJWJDXINCKNMB-RTBKNWGFSA-N	248.091	-0.110	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@H]3CCO[C@@H]23)cc1B(O)O	2223649002	SFYGVFWIBMSJML-KBVBSXBZSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCNCC12CC2	2223665131	CORDAVOLBKTFLP-JTQLQIEISA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCC[C@@H]2CNC3)c1	2223667400	PPYIKIIOSRSXST-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2CC[C@@H]3O)nc1	2223676516	BYMVCYGLFSYEGD-IEBDPFPHSA-N	248.091	-0.889	50	10	BBGE	
NOCCS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241669001	XQKGLZXPGVJIJT-IZLXSQMJSA-N	228.701	-0.434	50	10	BBGE	
CC(C)C1(OCCC(=O)NN)COC1	2242117944	HUTKLJZLMNRSQF-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)c[nH]1	2243356637	LAIDHGFZNUBTDO-RQJHMYQMSA-N	222.053	-0.825	50	10	BBGE	
CC1(CNC(=O)c2ccc(B(O)O)o2)CC1	2243362460	RGWPRIQVSJABTR-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CCCN(CC)C(=O)c1ccc(B(O)O)o1	2243362496	RVBQDGKMJAEIGN-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
CNC1(CNC(=O)C2(B(O)O)CCC2)CC1	2243365291	KQQOODHTOPIQOO-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCNC1	2243380902	ABHRNRQOHGIHBS-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
COCCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382573	QFJPLERDHYLMQX-DTORHVGOSA-N	229.085	-0.266	50	10	BBGE	
CCNC(=O)c1cc(C)cc(B(O)O)c1F	2243385674	MQHQOICTGZATLL-UHFFFAOYSA-N	225.028	-0.436	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCOCC1	2243396378	LMPGLCHNUJJPGJ-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2243397837	JZRSSYFOGJTJFN-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
CC(C)CC1(CNC(=O)C#CB(O)O)CC1	2243400034	UVDUCOPNOBLDAB-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C#CC[C@H]1CCCN(C(=O)C#CB(O)O)C1	2243400225	XRWJXNZTIKSQNB-JTQLQIEISA-N	219.049	-0.736	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)C1(B(O)O)CC1	2243409919	RBKXIPUZUHDCRL-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccncc1	2243414868	JMMMVIUGONYKBS-DTWKUNHWSA-N	220.037	-0.093	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1O[C@H]2CC[C@H]1C2	2243427722	ZUXYTIGDYMEWFN-JBDRJPRFSA-N	225.053	-0.066	50	10	BBGE	
CCOC(=O)c1c(OC)cccc1B(O)O	2243459332	CXSVCUVNPBQSTM-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
CCC(C)(C)NC(=O)NCCC#CB(O)O	2244539346	HGKNGDOCCDCOLF-UHFFFAOYSA-N	226.085	-0.120	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC(F)(F)C(=O)NN	2245132864	YZXCEFWIFLDCBU-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
O=C(NC12CCN(CC1)C2)C1(B(O)O)CCC1	2247732280	DZMBPNYDEYPXNU-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2247748216	ZKTKMJRMMGMDGY-VIFPVBQESA-N	234.064	-0.515	50	10	BBGE	
CN(C)C[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2247753587	BAOXCGPEBPUBEN-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758408	ZEJGMZJJRKBNFN-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
Cc1ccc(C(=O)N2CC(C)C2)cc1B(O)O	2247760014	AFIBSYWMOOGWLC-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
C=CCCN(C)C(=O)c1ncccc1B(O)O	2247771650	XETLGXPXXNFTON-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCCNC1	2247784904	CMOJSGOILOILFL-NGZCFLSTSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(C1CCC1)C1CNC1	2247790478	HRBPXKPFLBDNGZ-ZJUUUORDSA-N	238.096	-0.798	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)cs1)C1CC1	2247795131	DDLJVUCWMXPHCO-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](O)C2(CC2)C1	2247800959	VLAMLNNDIGUCQW-AMDVSUOASA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)C1CC(B(O)O)C1	2247808801	MNHVEOFMXZTPAR-WOOKNIGNSA-N	240.112	-0.422	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)C1CC(B(O)O)C1	2247809180	YDBVABIUSZPTDI-UHFFFAOYSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247853682	PWJXEJJXYSWXPH-MTBHXBHISA-N	234.064	-0.854	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](NC(=O)C3(B(O)O)CC3)C[C@@H]12	2247871509	CJDJASXBUKIILB-RBXMUDONSA-N	238.096	-0.765	50	10	BBGE	
CC1(C)CN[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247874460	MSFBRUBHNNPACO-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@@H]1CCCCNC1)[C@@H]1C[C@@H]1B(O)O	2247888429	ZKEFFLSLUNOYIF-BBBLOLIVSA-N	240.112	-0.645	50	10	BBGE	
C[C@]1(CO)CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247896691	JDMMGOVXOJNWOX-IQJOONFLSA-N	241.096	-0.387	50	10	BBGE	
Nc1cccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247899506	NRPVXHRWHKOPGR-NXEZZACHSA-N	234.064	-0.252	50	10	BBGE	
CC1CC(CO)(N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899806	QFTFBEKSZMZENQ-VCZAYRLQSA-N	241.096	-0.531	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586557	CQZVBTKMSLCNLD-FKSUSPILSA-N	241.052	-0.781	50	10	BBGE	
CCC[C@@](C)(NC(=O)C1(B(O)O)CC1)C(=O)O	2248589732	UHCNXNBJPJNVOT-SECBINFHSA-N	243.068	-0.247	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H](C)C(=O)O	2248591499	QAXRYCRWFOHAST-FXQIFTODSA-N	243.068	-0.439	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2251031645	VXJLDZRSGHIEGT-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1coc(B(O)O)c1	2255456560	PWGIOISTQBJIOI-JOYOIKCWSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2cn[nH]c2)n1	2255487824	VMPGCHDYXCPRJK-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC[C@H]1C=CCC1	2255496023	IMVWEJZJLXFXCY-VIFPVBQESA-N	248.091	-0.599	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1[C@@H]2CC[C@@H]12	2255509958	QTILZQHFBJXCMJ-RKDXNWHRSA-N	245.087	-0.187	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)ccc1B(O)O	2255510232	UACQIJGVTPAQOV-PHIMTYICSA-N	245.087	-0.233	50	10	BBGE	
Cc1cc(NC(=O)c2cc(C)c(B(O)O)o2)n[nH]1	2255573757	RLGJXQYHVQJDHP-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@H]3C[C@@H]32)c1B(O)O	2255573941	UHTGOVRQBZFTQS-IUCAKERBSA-N	246.075	-0.696	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(C)c(B(O)O)o1)C(C)C	2255574357	ZTGLGYMUZHDGCS-VIFPVBQESA-N	249.075	-0.345	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cc(B(O)O)c[nH]1	2255671200	NWNXQUJIUXPIPO-JUXNZWQXSA-N	246.075	-0.921	50	10	BBGE	
Cc1c(NC(=O)c2ccc(B(O)O)o2)cnn1C	2255671521	SBAKHVQNQGRTBK-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255718096	UCGHMMJFIZMGAT-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
C#CC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2255719375	FTKJWANBUVAVRS-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ncc(B(O)O)cc1C	2257485785	KXJWLCKJYIAWNM-SECBINFHSA-N	246.075	-0.836	50	10	BBGE	
COC[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371520	NGXRPXCIRLPXSS-KKZNHRDASA-N	241.096	-0.266	50	10	BBGE	
C[C@@H](C(=O)O)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463102	PSUOLJOLSOUEFC-LPBLVHEISA-N	241.052	-0.972	50	10	BBGE	
COCC1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300369943	IZUCXKYXIZXNDV-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
CN(C)CCN(C)CCC[C@H]1C[C@@H]1C(=O)NN	2300397520	SKIRDLHFOSPKFC-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
NC[C@]12C[C@H](CCN1C(=O)C1(B(O)O)CC1)C2	2302201731	PVKYSUCAWDCDAO-WAAGHKOSSA-N	238.096	-0.667	50	10	BBGE	
CO[C@@H]1CN(CCC(=O)NN)[C@@H](CF)[C@H]1OC	2302218457	UYKIVALJCUDGRR-QXFUBDJGSA-N	249.286	-0.950	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2302494779	KUYPOEFABJCCOS-VWYCJHECSA-N	243.351	-0.049	50	10	BBGE	
O=C(CCN1CC[C@@H](B(O)O)C1)N1CCCC1	2303155737	BZOJVLSIXPEWAW-SNVBAGLBSA-N	240.112	-0.452	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C12CCC2)C(=O)NN	2303409461	CFHPFMKCTLEXSU-MWLCHTKSSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@](C)(COC[C@H]1COCCO1)C(=O)NN	2303421455	RSGDHSOYFZQFFR-KOLCDFICSA-N	246.307	-0.175	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CNC[C@H]1F	2303695547	CMMSZQUTELFMIP-FNCVBFRFSA-N	244.075	-0.992	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]1[C@@H](O)C2	2306284188	TWHXQVPTBDAXEO-GEVSDDDWSA-N	239.319	-0.542	50	10	BBGE	
CC1(C)[C@H](N)CCN1c1ncccc1B(O)O	2307197414	PSSFKEUVDHBHMA-SECBINFHSA-N	235.096	-0.923	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1ccc(B(O)O)cn1	2312612385	UTVFMQHPCBXKSI-MPKXCIJOSA-N	247.107	-0.701	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1(CO)CCC1	2317151305	PANYIOIRYSXBHN-UHFFFAOYSA-N	246.075	-0.435	50	10	BBGE	
CC(C)(CN)CNc1ccc(B(O)O)cc1C#N	2317166392	UQPYNQFBRTUGQP-UHFFFAOYSA-N	247.107	-0.365	50	10	BBGE	
OB(O)c1cc(N2Cc3conc3C2)ncc1F	2320792698	IZURBUISQLHPDR-UHFFFAOYSA-N	249.010	-0.591	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)CC(N)=O	37269380	KONHDDXWGBVYEZ-SCSAIBSYSA-N	221.644	-0.733	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)CCO1	82466176	OSTFMUIVVSLMGH-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](O)CN(C)Cc1csc(C(=O)NN)n1	82468175	ZCXOYSHSAYFWRB-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
COC[C@H](C)N(C)[C@H](C)CC(=O)NN	82469600	FBXXPBWJAPWZQY-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](O)C1	82470422	AXEVCXCSBJUQNV-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)C[C@H](N)c1nnc(CBr)o1	83379882	TZTFCPRZGKQJOW-VKHMYHEASA-N	249.068	-0.160	50	10	BBGE	
CN1CCO[C@H](CNC(=O)CCl)C1	85789924	SSDUJZOSWDCNHK-SSDOTTSWSA-N	206.673	-0.328	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cnc([N+](=O)[O-])c1	86313775	SNKPPKZHCLSJOK-PHDIDXHHSA-N	227.224	-0.022	50	10	BBGE	
NNC(=O)CNC(=O)/C=C\c1ccccc1	101352521	RPOHVKMQCFUVRQ-SREVYHEPSA-N	219.244	-0.194	50	10	BBGE	
CCc1cnc([C@@H](C)NC(=O)C(=O)NN)s1	126304530	DZTWKIOMQCMQHK-RXMQYKEDSA-N	242.304	-0.127	50	10	BBGE	
Nc1nc(Cl)cc(NNC(=O)C2COC2)n1	135171601	VCPKKGWBXIDRGP-UHFFFAOYSA-N	243.654	-0.198	50	10	BBGE	
COC[C@H](Cl)CNC(=O)CS(C)(=O)=O	137081033	CSFIHYWXGBMRFK-ZCFIWIBFSA-N	243.712	-0.599	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CCO)C1	159979282	WLYIHCVOKFCMEL-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CCN(C)CCOc1ccc(B(O)O)cc1	203191367	XWJNFCAULIKGPW-UHFFFAOYSA-N	223.081	-0.303	50	10	BBGE	
CC(C)(N)c1nnc(-c2ccc(B(O)O)cc2)o1	211478002	HOUZAQUYLCCLOO-UHFFFAOYSA-N	247.063	-0.390	50	10	BBGE	
NNC(=O)C[C@H]1CCCS(=O)(=O)C1	214735400	QCLLLGGQCXSCMV-ZCFIWIBFSA-N	206.267	-0.809	50	10	BBGE	
COc1cc(-n2ccnc2)ccc1B(O)O	216697026	NLAPTVBPXBXLPN-UHFFFAOYSA-N	218.021	-0.439	50	10	BBGE	
C[C@H]1CN(C(=O)CCl)C[C@H](CO)O1	229951470	RKVZJQYAMSPCMS-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
C[C@@H](CN1CCC[C@@](C)(O)CC1)C(=O)NN	230383843	LVAUMDACYQXVOG-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCS(=O)(=O)N(C)C	230991526	GCUXZILXSCNKDM-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(O)CCCC1	232420839	XFMHRXXOWBDPLE-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
COC[C@@H](SC[C@H](C)CN)C(=O)NN	232421706	FLAROAFEOWVSMO-RNFRBKRXSA-N	221.326	-0.681	50	10	BBGE	
CS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NN	235156235	CTROPHJGFSLGFU-RNFRBKRXSA-N	231.321	-0.233	50	10	BBGE	
C[C@H](Br)C(=O)N1CC(=O)NC(=O)C1	235419511	VBEIITLVSUDIBZ-BYPYZUCNSA-N	249.064	-0.745	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C(N)=O)CC[C@H]1C	251190395	CGLQKTYERGYJKS-IWSPIJDZSA-N	242.323	-0.659	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(CCC(=O)NN)C1	306947414	PNLUCZZCVAAIKC-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CON(CCO)S(=O)(=O)CBr	307859241	FIXDYZJYRNMYLH-UHFFFAOYSA-N	248.098	-0.476	50	10	BBGE	
CN(C)NC(=O)N[C@H](CC(F)F)C(=O)O	309065327	YYCPMHZZFWFPAR-SCSAIBSYSA-N	225.195	-0.129	50	10	BBGE	
CN(C)c1nncc2cc(B(O)O)ccc12	380511157	NHKLXJSKIIDMHA-UHFFFAOYSA-N	217.037	-0.624	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(C2CC2)C1	384009187	VAGMHKZWWABBBP-QMMMGPOBSA-N	213.281	-0.788	50	10	BBGE	
O=C(CCCl)c1c(CO)cccc1B(O)O	396043189	UNUSJPAGKHAPFU-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
NNc1ccc(B(O)O)c(OC(F)(F)F)c1	396045687	CCQLAUJPWIWBNL-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
N[C@@H](CCO)[C@H](Br)[C@H](N)CCO	396898384	HYVQAPTXHUSOEH-KVSKUHBBSA-N	241.129	-0.831	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@@H](C)[C@H](C)C(=O)NN)C1	398467501	CPBXSMBBDKNDFO-XHNCKOQMSA-N	242.323	-0.931	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)[C@@H](C)CO1	404016718	DLSTVLUPNLYRTA-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC[S@@](=O)N[C@H](C)c1cccc(B(O)O)c1	405043879	QNCIZEYQOJGLIE-VPTHRUTESA-N	241.121	-0.299	50	10	BBGE	
CCC[C@H]1COC[C@@H]1N(C)C(=O)C(=O)NN	688150140	YQLINXIMFCKRPC-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
CCN1CC[C@H](N(C)[C@@H](COC)C(=O)NN)C1	689050411	YXASZAMYBRRNGC-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@H](CN(C)CCCC(=O)NN)OC	691287583	QYNQXBVFOYKZML-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
C=CC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	692114212	PDFBMGIKXFVCAO-VIFPVBQESA-N	223.276	-0.233	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1CN(C)C1	692673195	LEEVNTDMCYRUPE-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](N2CCC2)C1	702305342	LCKTZXBXMHTPBQ-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1CCOC[C@H]1O	706727869	WJIYBRYHSKOSOH-RNFRBKRXSA-N	243.712	-0.706	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708052151	UTOZOKDWEPNKDY-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](C)c1cn(C)cn1	710169601	VPZYSNCCSVJJFG-HTQZYQBOSA-N	225.296	-0.209	50	10	BBGE	
C[C@@H](CN1C[C@H](F)[C@H](F)C1)C(=O)NN	714559271	TZTWDLJTQMMMAN-LYFYHCNISA-N	207.224	-0.396	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(C)nc1C	715070679	KOEQMWCBHSZLEW-MRVPVSSYSA-N	212.253	-0.323	50	10	BBGE	
C[C@H](OCCn1cc(C(=O)NN)nn1)C1CC1	719081910	KJWSREALYOZAKZ-ZETCQYMHSA-N	239.279	-0.303	50	10	BBGE	
COCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	770711530	UASSHRGSNGNCPJ-HTQZYQBOSA-N	245.279	-0.612	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]12C[C@@H]1COC2(C)C	823424540	DJJGMHURALBIAH-LHLIQPBNSA-N	227.264	-0.238	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	1118270122	WEZJRAZUHPOTMZ-GJMOJQLCSA-N	223.232	-0.385	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN(C)[C@H](C)CO	1143340322	CBXGSKYYKFVDOF-RXMQYKEDSA-N	228.252	-0.619	50	10	BBGE	
CCOc1cc(C(=O)NNC(=O)N(C)C)on1	1442480097	ZGQIORUNPYOVSC-UHFFFAOYSA-N	242.235	-0.011	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(O)nn1	1570115844	HFHVRGILMJULFQ-LURJTMIESA-N	226.236	-0.860	50	10	BBGE	
CC(C)(C(N)=O)C(=O)NNc1ccncn1	1641048593	WOHVERANPWLZCH-UHFFFAOYSA-N	223.236	-0.569	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NC[C@H]1C[C@@H]1Cl	1877392938	BPNNGEVEKURGJS-VGRMVHKJSA-N	218.684	-0.296	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880022359	BLWQVQSQRZKGTC-BQBZGAKWSA-N	247.295	-0.407	50	10	BBGE	
C#CCNC(=O)CCNC(=O)CBr	1882884415	KCSJAJXIMAJZRV-UHFFFAOYSA-N	247.092	-0.363	50	10	BBGE	
CNC(=O)CNC(=O)C=CC(=O)Cl	1883626731	KOSPDDDIKHBJKQ-UHFFFAOYSA-N	204.613	-0.830	50	10	BBGE	
CC[C@@H](CN1CC[C@@H](B(O)O)C1)OC	1891493745	XNKHEKGQKVAKCH-BDAKNGLRSA-N	201.075	-0.040	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@@H](C)C[C@H]1C	1901076974	ZBVCZVYECJQUCQ-RGOKHQFPSA-N	229.324	-0.032	50	10	BBGE	
N#CC1CC(O)(CN2CC[C@@H](B(O)O)C2)C1	1902512628	MQVXWUZIQFUYON-HWOCKDDLSA-N	224.069	-0.800	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2CCNC2=O)C1	1902515796	LYLGDAGMJAABMQ-WCBMZHEXSA-N	226.085	-0.939	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)CCC(=O)O)C1	1902523148	XJISPNAVTPLHID-VIFPVBQESA-N	229.041	-0.683	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CN(C2CC2)C1=O	1906942559	KFQOGIHARYPRGL-ZCFIWIBFSA-N	240.263	-0.819	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1(CO)CCC1	1915004863	OFVXUOQHRUVWDN-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)CNC(=O)Cn1cnnn1	1928696986	UQCMSQBLMOINDX-RXMQYKEDSA-N	203.633	-0.583	50	10	BBGE	
C[C@@H]1CC(=NNC(N)=O)CCS1(=O)=O	1931618960	HKRUDJGXLVTRDE-RXMQYKEDSA-N	219.266	-0.392	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2CC1C2	1931632853	KNFREYFEPHTZAD-UHFFFAOYSA-N	205.208	-0.294	50	10	BBGE	
CO[C@@H]1C[C@H](N(C)CC(=O)NN)C1(C)C	1934924647	YXHWGDCJQNPNPO-JGVFFNPUSA-N	215.297	-0.278	50	10	BBGE	
CN1CCCN(CC(F)(F)C(=O)NN)CC1	1935944050	JBZHKYJJVQRUEH-UHFFFAOYSA-N	236.266	-0.751	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1CC[C@H]2O)C(=O)NN	1936237116	MTNKXBMHJFZUHJ-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](C)CN(C)CCOCC(=O)NN	1936535820	POIKJGJKBCZQQK-VIFPVBQESA-N	233.312	-0.793	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](C(=O)N(C)C)C1	1940303456	MJEOFMLYGJUJAV-IUCAKERBSA-N	242.323	-0.835	50	10	BBGE	
CN(CCN1CCCC1)C[C@@H]1C[C@H]1C(=O)NN	1941082690	HJXSFJVAVFOGPR-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
CCc1nn([C@H](C)COC)c(CC)c1B(O)O	1944692930	UTZGDEZOHNQILJ-MRVPVSSYSA-N	240.112	-0.105	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1944894022	KLDDYUNJAUJPLO-MWLCHTKSSA-N	244.339	-0.983	50	10	BBGE	
CS(=O)(=O)CC1(C[C@H](N)[C@@H](O)C#N)CC1	1952835982	HAFAIGJKZVFEHM-YUMQZZPRSA-N	232.305	-0.587	50	10	BBGE	
NC(=O)NC1CN(CCBr)C1	1953287898	QSOJCGVYBXPOPQ-UHFFFAOYSA-N	222.086	-0.266	50	10	BBGE	
CN(CCC(N)=O)C[C@H](O)CBr	1953617246	GQFRVNLYNGUXHY-ZCFIWIBFSA-N	239.113	-0.451	50	10	BBGE	
COC1CN(S(=O)(=O)NCCCCl)C1	1955763065	QSLWOGWQBLRTJV-UHFFFAOYSA-N	242.728	-0.220	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@@](O)(CO)C1	1957317403	IGGLSHKUAYYCLR-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(N(C)C)C1	1958749367	IYVZTRALJFGLQW-QMMMGPOBSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)N1CCN([C@H]2CCSC2)CC1	1961480931	AUXMPALSDNSCAS-QMMMGPOBSA-N	230.337	-0.307	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)[C@@H]1C	1961695955	LKCLIZZXIOIESB-JGVFFNPUSA-N	206.054	-0.394	50	10	BBGE	
C#C[C@H](CCl)NC(=O)C1(C)CS(=O)(=O)C1	1974772547	MMHGPFFXWPRGGY-SSDOTTSWSA-N	249.719	-0.222	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@H]2C[C@H]21	1980228021	KLRMXXSMUVYIHA-BDAKNGLRSA-N	224.308	-0.855	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)c1cnn(C)c1	1980916976	MJHZLSASSIJYBV-CBAPKCEASA-N	223.280	-0.518	50	10	BBGE	
Cc1ccnc(N2CC(F)(F)C2)c1B(O)O	1981415261	BVTNAOZFUKLRMP-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
CCO[C@H]1CC[C@@H](CNC(=O)C(=O)NN)C1	1982332709	FHTNMWPGHOWPPR-SFYZADRCSA-N	229.280	-0.702	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	1987556752	PMZIZHQAWLAONP-LPEHRKFASA-N	226.324	-0.611	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@@H]21	1988712773	YJYRSTGQRAUFRF-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)COCCO[C@@H]1CCOC[C@@H]1F	1991733010	ZNFOCKWSTXNQRE-JGVFFNPUSA-N	236.243	-0.864	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)/C=C/C(=O)Cl)[C@@H]1O	1992725544	DXBNTWYEAHVPIG-ZWOIKLSOSA-N	247.678	-0.038	50	10	BBGE	
C[C@H]([C@@H]1C[C@H]2CCO[C@H]21)N(C)CC(=O)NN	1994141567	IOYDRTUMOVQIBA-SDNRWEOFSA-N	227.308	-0.278	50	10	BBGE	
O=C1CN(CCc2nccc(O)n2)CC(=O)O1	1999622144	OWWUQMCUFMTCKG-UHFFFAOYSA-N	237.215	-0.890	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@@H](C2)C1	2004911819	LOXSEDREZZNIGE-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1c1ccncc1B(O)O	2004928911	GSDQIHMMTGVLTP-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncnc(N2CCCC[C@H]2C)c1B(O)O	2004972414	FLNPFYRZMUOYDF-MRVPVSSYSA-N	235.096	-0.156	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CCC(C)C)n1	2005014792	QSQAFONWDMKKRQ-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1cnc(N2CCC(F)(F)C2)c(B(O)O)c1	2005018715	XLVKPOAWZYELCM-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)Cc1c(C(=O)NN)cnn1C	2005105253	BAWCMAULRAALSJ-APPZFPTMSA-N	237.307	-0.136	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)[C@H]1C[C@H](O)C1	2009404818	RJBCYXHNQDUYAM-KYZUINATSA-N	239.275	-0.162	50	10	BBGE	
CC[C@H](OC[C@@H]1OCCOC1(C)C)C(=O)NN	2013876459	BHYZQTNAULVPAM-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013925523	JIOGIGVLVOLNGL-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC[C@H]2O)CC1	2014134993	ZPCMJUIKKPWEDM-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
N#CC1(O)CCN(Cc2cc(=N)[nH]cn2)CC1	2018239827	GIRLYXBDADRJCI-UHFFFAOYSA-N	233.275	-0.260	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC12CC(CF)C2	2019207111	CBASHEXASNPDTA-UHFFFAOYSA-N	243.282	-0.022	50	10	BBGE	
Cc1cc(F)cc(C(=O)NCC#CB(O)O)c1	2021157458	MSLGEJMKWFWKHX-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
C=C(CN(C)C1CC(n2cncn2)C1)B(O)O	2021158286	ZNBVCCRSJPIXEE-UHFFFAOYSA-N	236.084	-0.518	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@H]2C[C@H]2C(=O)NN)C1	2025523110	VJIAAMGXZNPFEM-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCCN1CC(OCCCO)C1	2026045795	YYRBYNFVUSJZCM-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CN(C(=O)Nc1ccnc(B(O)O)c1)C1CCC1	2029209389	FXGNIZRRZUTODZ-UHFFFAOYSA-N	249.079	-0.222	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1c1ccc(B(O)O)cn1	2052472237	KROFLBSLOJOCIU-ONGXEEELSA-N	249.123	-0.710	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3(CCCC3)C2)n1	2052622517	WBDFEPPBCWSRQV-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1ccccc1F	2058155141	JYAWRSMTUJIXIR-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(B(O)O)cc1C=O	2060140508	AHBYAKIYHTXAAA-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
N#Cc1cc([N+](=O)[O-])cc(B(O)O)c1F	2060175228	ZXPZMDCFRHFRCI-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1c(B(O)O)ccc(C=O)c1[N+](=O)[O-]	2060281110	GITBMBPSIGOABS-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2072626150	XFZJQPMOEFZXDN-UWVGGRQHSA-N	249.318	-0.157	50	10	BBGE	
Cc1ccc(B(O)O)cc1CO[C@H]1CCN(C)C1	2077336546	GBCACTNVQUDNMV-ZDUSSCGKSA-N	249.119	-0.104	50	10	BBGE	
O=C(CN1[C@@H]2COC[C@H]1C2)NNc1ccccn1	2078006181	UPMJUVCSLBHNNT-AOOOYVTPSA-N	248.286	-0.002	50	10	BBGE	
Cc1nc(OC[C@@H]2C[C@@H]2C2CC2)ncc1B(O)O	2079936233	VORWBMLBBLHDKR-VHSXEESVSA-N	248.091	-0.110	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1nccc(B(O)O)c1F	2212602898	ABNGRNAIGPWMFK-POYBYMJQSA-N	224.044	-0.255	50	10	BBGE	
C#CCN(CC(F)F)c1cc(B(O)O)ccn1	2217175107	DMOVXRSSZNNXLS-UHFFFAOYSA-N	240.018	-0.534	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1OCC[C@H]1F	2217177861	OMKZWFYTKKSIFA-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
CCCNCCNc1nccc(B(O)O)c1F	2217179693	AYOQNMKJMJRXEB-UHFFFAOYSA-N	241.075	-0.688	50	10	BBGE	
CC(C)C[C@@H](N)CNc1ccc(B(O)O)cn1	2217182201	AFCZLSNHRDNJAO-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
CN[C@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2217184102	MQPUVEPLFUNTCB-UWVGGRQHSA-N	236.080	-0.719	50	10	BBGE	
COC[C@H](C)N(C)c1cc(B(O)O)c(C)cn1	2217185087	YJJIOWZKNHKPPM-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
CC(C)(C)[C@H](N)COc1ccc(B(O)O)cn1	2217185546	YZLBGWITUZULBO-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)C(C)(C)CN	2217186116	GLGYYGCSNUYPCJ-QMMMGPOBSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CC=CC[C@@H]21	2217199698	OIVWODPWHGJAQM-ONGXEEELSA-N	230.076	-0.084	50	10	BBGE	
CN1CCC[C@@H]1CNc1ncccc1B(O)O	2217205249	WNLUNBMBQLJTFY-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
Cc1cnc(NC[C@@H]2CNC[C@@H]2C)cc1B(O)O	2223654124	XEKSKTXWFAXHNY-WPRPVWTQSA-N	249.123	-0.663	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3CC[C@H]2N3)nc1	2223662943	MMWZVFWAGGRUQJ-GMTAPVOTSA-N	248.091	-0.577	50	10	BBGE	
CC(=O)NNC(=O)CN(O)C(C)(C)C	2242400547	SUSNQSCDXQUULC-UHFFFAOYSA-N	203.242	-0.357	50	10	BBGE	
C[C@@H](CN1CCC=C[C@]1(C)CO)C(=O)NN	2242609398	SVZYKVZBNSHFEQ-GXSJLCMTSA-N	227.308	-0.375	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)s1	2243357606	ZAHQBOQCHVHIPT-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
CN(Cc1nncs1)C(=O)C1(B(O)O)CC1	2243363779	MGUFOAJMKVVAFS-UHFFFAOYSA-N	241.081	-0.497	50	10	BBGE	
C#CCNC(=O)c1cc(C)cc(B(O)O)c1	2243367410	SJXMKRNIFVNBPB-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC[C@H]2C[C@@H]21	2243376727	OLPUEOSOVKXARJ-XPUUQOCRSA-N	237.089	-0.338	50	10	BBGE	
O=C(NC1CC(CCO)C1)[C@H]1C[C@@H]1B(O)O	2243392988	ZDADRDBVKQSVGB-PEBLOWIWSA-N	227.069	-0.874	50	10	BBGE	
CCO[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2243396959	SXWGVEAABOEXRU-UEJVZZJDSA-N	229.085	-0.219	50	10	BBGE	
CC(C)(O)C1CN(C(=O)C2(B(O)O)CC2)C1	2243398345	PLOPDLBPOMQKPI-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C#CB(O)O)CCO1	2243400129	WGAPDYGAFVZHAL-QMMMGPOBSA-N	225.053	-0.924	50	10	BBGE	
NCc1ccc(NC(=O)C#CB(O)O)cc1	2243400233	XWQQQGYAKKJAIA-UHFFFAOYSA-N	218.021	-0.901	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243419598	CBNOMBUQDOPHEH-FNCVBFRFSA-N	227.069	-0.779	50	10	BBGE	
CN(OCC(F)(F)F)C(=O)[C@H]1C[C@@H]1B(O)O	2243427173	RHKMLKNOJKQCRY-WHFBIAKZSA-N	240.974	-0.198	50	10	BBGE	
O=C(N[C@@H](CO)C1CCC1)C1(B(O)O)CCC1	2247734332	SBTIAAYWNMJHKA-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
CO[C@H](CNC(=O)C#CB(O)O)C1CCCC1	2247740390	JTERSTDHTNJHRU-SNVBAGLBSA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1C(=O)C1(B(O)O)CC1	2247754677	FFIWNTNLZCQWLH-HRDYMLBCSA-N	240.112	-0.422	50	10	BBGE	
CN(CCC1CC1)C(=O)c1occc1B(O)O	2247755671	KNMXHDQLQWNQAU-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
Cc1ccnc(C(=O)N2CC(C)C2)c1B(O)O	2247789524	XMBACWHTUNXFLQ-UHFFFAOYSA-N	234.064	-0.838	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)C1CC(B(O)O)C1	2247800207	MLIRIQJCSNDXNL-RTBKNWGFSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CO)CC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247800962	VLLWDEJXLSJEIM-HGNGGELXSA-N	241.096	-0.674	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2CNC[C@H]21	2247806584	GCPZSLUMSYPLEY-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
CCN(CC)C[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2247807051	PPRQACDOHYSSLF-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
C#CCCNC(=O)c1cc(C)ccc1B(O)O	2247855559	UOQBJARTECWFHA-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CCONC(=O)c1ccc(OC)c(B(O)O)c1	2247876172	KLSVWOZFRWZIAE-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1CN2)C1(B(O)O)CCC1	2247877926	GMPAWIMDMRRIDC-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@@H]1CCCC12CNC2)C1(B(O)O)CC1	2247879933	ZFSYVZSWLSKZQL-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
C=CCOCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894338	FSWYAHSNTUHUPG-AOOOYVTPSA-N	241.096	-0.052	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC(C)(C)[C@@H]1CO	2247967830	MRSDIZYLOOFMNJ-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CC(C)=CC(=O)NCc1ccccc1B(O)O	2248414155	FSFBVMPVHNYAGD-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
C[C@H](O)CC(=O)Nc1cccc(B(O)O)c1F	2248443325	MNUFEVSJHJOBBO-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C(C)(C)C(=O)O	2248585239	IKGVBGRXPKBYNU-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
CC(C)NC(=O)CCN1CCC(B(O)O)CC1	2249358972	VFUXGRJKDOLOFN-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
OB(O)c1ccnc(N[C@]23COC[C@H](C2)C3)c1	2250964500	XBLGHFCPEXNCFW-JLIMDTESSA-N	234.064	-0.648	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2255462509	WHWDCZUSCKNYCR-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
O=C(NCc1ccn(C2CC2)n1)C1(B(O)O)CC1	2255482610	XEYWHCRLFRAOCE-UHFFFAOYSA-N	249.079	-0.159	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)cc2OC)C1	2255505630	YLRSDMFMPDNWDK-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cc(B(O)O)cn1C	2255510502	XCDFXPPCVCTNOV-SECBINFHSA-N	248.091	-0.906	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1ccc(B(O)O)cn1	2255518808	PAARVVDAMCMTGK-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
O=C(NCc1ccoc1)c1cncc(B(O)O)c1	2255522317	IFVCDUHFAQZIEN-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(Nc1ncnc2[nH]cnc12)[C@H]1C[C@@H]1B(O)O	2255561175	FBGWNGJQCZTVSS-WHFBIAKZSA-N	247.023	-0.846	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1ccc(B(O)O)o1	2255671313	PNFTVCDOWCSAOW-AKZRSSKFSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@H]21	2255672685	KJIVCSJXAVDWBL-OCAPTIKFSA-N	249.075	-0.313	50	10	BBGE	
O=C(N1CC(n2ccnc2)C1)C1(B(O)O)CCC1	2255685811	HGKVYHPYXPLCPN-UHFFFAOYSA-N	249.079	-0.337	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CCC[C@H]21	2255735334	RHTIIPBOGBSDDP-JZYVYDRUSA-N	248.091	-0.767	50	10	BBGE	
O=C(NCc1cnn2c1CCC2)[C@H]1C[C@@H]1B(O)O	2255774586	RDMPZXGHMBVZAY-IUCAKERBSA-N	249.079	-0.692	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1nc[nH]n1	2256638851	JXIMYNNZTOPSNK-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CNCC1(C)C	2261233782	FWOYKEQVKKCOCN-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
O=C(N=c1[nH][nH]c2ccccc12)[C@@H]1C[C@H]1B(O)O	2264227812	LKWVDQNEPVGLHI-HTQZYQBOSA-N	245.047	-0.214	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(C)cc1B(O)O	2301604991	INQWLIPFHFZRIY-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C)CCCC(=O)NN	2302060305	NXBZDXJQWSHAMN-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CC=CCO2)C1	2303111588	KRMRPYQFVBNXBE-MWLCHTKSSA-N	239.080	-0.203	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2CCOCC2)C1	2303167040	JIKMBYXWWNHAMI-SNVBAGLBSA-N	242.084	-0.623	50	10	BBGE	
C[C@H](CC#N)N(C)c1cc(B(O)O)c(F)cn1	2303835578	YWYJZUGIIMVRAY-SSDOTTSWSA-N	237.043	-0.361	50	10	BBGE	
O=C1N[C@H](CN2CC[C@@H](B(O)O)C2)CC1(F)F	2304496252	FQCWKYFBNKRCDW-RQJHMYQMSA-N	248.038	-0.941	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306283182	JRTVDRGJFRJIQL-NAKRPEOUSA-N	241.335	-0.154	50	10	BBGE	
CO[C@@H]1COCCN(CC(C)(C)C(=O)NN)C1	2306804984	NVECHVHAHIUBPJ-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
N[C@H]1[C@@H]2CC[C@H]1N(Cc1cccc(B(O)O)c1)C2	2312408779	CIBLSIDEFALPIO-RTXFEEFZSA-N	246.119	-0.712	50	10	BBGE	
NC(=O)N/N=C1/CCC/C(=N/NC(N)=O)C1	5725497	XQPBAUJQNURZNH-CBIKUMSCSA-N	226.240	-0.391	50	10	BBGE	
CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1	43023799	KDGPFQLDOUCALF-VIFPVBQESA-N	249.336	-0.223	50	10	BBGE	
CCCC[C@]1(C)NC(=O)N(CC(=O)NN)C1=O	70168674	OHFKPPCVUPWVHG-JTQLQIEISA-N	242.279	-0.523	50	10	BBGE	
NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F	71478151	QOYNXINTUGAUDW-SCSAIBSYSA-N	225.170	-0.470	50	10	BBGE	
CCOC(=O)C1=CNN2CC(C=O)=CN=C12	74048566	XEBUVDKLGMLCFP-UHFFFAOYSA-N	221.216	-0.252	50	10	BBGE	
CNC(=O)CNS(=O)(=O)C[C@@H](C)CCl	86549919	SUIYSLAVJWGKSL-LURJTMIESA-N	242.728	-0.473	50	10	BBGE	
COC(=O)CCN1CCN(C(=O)CCl)CC1	125321571	KUJVIBLSUQZATJ-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
C[C@H](CCl)C(=O)NC(C)(CO)CO	129128327	XSNLJXPKRKDPFY-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
CN(C)NC(=O)[C@H]1Cc2nc[nH]c2CN1	147304433	QXCRMVREKZFUFN-SSDOTTSWSA-N	209.253	-0.983	50	10	BBGE	
NNC(=O)C(=O)NCC1CCSCC1	159277532	DIVONNYZBJJQDX-UHFFFAOYSA-N	217.294	-0.764	50	10	BBGE	
CCc1cc(C)c(C(=O)NNC(=O)CO)o1	182761435	MWSGULIVSACKPD-UHFFFAOYSA-N	226.232	-0.096	50	10	BBGE	
CCOCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	219975145	MGAITXIVCVSXPJ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCCO)C1CCC1	228568356	ZFLZAEWQAZVCCF-SNVBAGLBSA-N	229.324	-0.008	50	10	BBGE	
N#Cc1ncn(Cc2cccc(C(=O)NN)n2)n1	236255704	LHDZNBLWQFZAIG-UHFFFAOYSA-N	243.230	-0.803	50	10	BBGE	
C[C@H](CN1CCN2CCC[C@H]2C1)C(=O)NN	251159113	ZLKVQYUEBOGHJB-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](OC)C1	300044212	ADPATOJDGUAJRZ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](S[C@@H](C)[C@H](C)O)C(=O)NN	300340491	PNVKNLHJYSQZRW-ACZMJKKPSA-N	222.310	-0.506	50	10	BBGE	
Nc1c(B(O)O)cc2sccc2c1N	306694415	UWHLZXTXUAAKRK-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CC(=O)NN=CC(C)(C)S(C)(=O)=O	308146630	MBJKRLMAVHUQQQ-UHFFFAOYSA-N	206.267	-0.069	50	10	BBGE	
NC(=O)NC(=O)COC(=O)CCCl	308409178	NPMORLUIZGAPPS-UHFFFAOYSA-N	208.601	-0.647	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)N(C)C)CC[C@H]1N=C=O	309140330	WFWNMBFZIGMOBU-RKDXNWHRSA-N	247.320	-0.161	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)cnc2Cl)cn1	309268807	QSUMLRUDLWGXQC-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1nncn1C	310235542	ATNNEUTUJRBBRU-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C	382295295	LZTDJEIQVLPPNI-LKEWCRSYSA-N	229.280	-0.691	50	10	BBGE	
O=C(NN[C@@H]1CNC[C@H]1O)C1CCCCC1	382300713	NKGNSMNREVPWRZ-NXEZZACHSA-N	227.308	-0.480	50	10	BBGE	
OB(O)c1ccc2c(N3CCCC3)nncc2c1	383834580	SWNIZEJPRALHHN-UHFFFAOYSA-N	243.075	-0.090	50	10	BBGE	
CCCC1(O)CN([C@@H](C)CC(=O)NN)C1	384148358	OSRWREPEPWDADI-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CCO[Si]1(OCCN)OCCNCCO1	389604046	WWJZMSHSYCFWPO-UHFFFAOYSA-N	236.344	-0.930	50	10	BBGE	
C[C@H](On1nnc2ccccc21)C(=O)NN	390522178	GWQQLPBIJQGWBW-LURJTMIESA-N	221.220	-0.762	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CCCC(=O)NN	395061483	DULISUBCZOFQIC-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=C(CCCl)c1cc(O)ccc1B(O)O	396019449	FRUVOLDUWIALEO-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
Nc1ccc2c(B(O)O)c(CO)sc2c1	396235998	ARWAUIPUSRYLOT-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1cc(C(=O)O)cc2sc(B(O)O)cc12	396239296	IVIIGSFQVUFPTG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc2cc(CO)sc2cc1B(O)O	396246669	OYUWKPIWRVUKLU-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1O	399952076	YKTRCNUOANMDEH-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1[C@H](C)C(=O)NN	402771114	JFRIHQQWRSOTQR-DTWKUNHWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H]1CCO[C@H]1C(=O)Nc1ccccc1B(O)O	404939522	HNFOSLUCRDLLHK-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
C#C[C@]1(O)CCN(S(=O)(=O)CCl)C1	575573886	ZOVCNLFQSMDHAR-ZETCQYMHSA-N	223.681	-0.418	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nncn1C	689507672	ZFNUCERWVDULLR-ZCFIWIBFSA-N	232.671	-0.315	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)CCNS(C)(=O)=O	689650722	OPJQEKJKHXIUNK-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC[C@H]1COCCO1	690735785	FFVZXYPWBHMMCI-YUMQZZPRSA-N	237.683	-0.228	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@@H]1N(C)C	693629714	KWTNCWHHYIFJSG-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CCO[C@H]1CCN(Cc2ccc(B(O)O)cc2)C1	701671007	ZRBFJSDVTTZASB-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
NC(=O)CCCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703436124	MZDBHJAMEPUFHC-YUMQZZPRSA-N	240.259	-0.442	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@]12COC[C@H]1C2	703444244	NVPQAQBZCUZCJN-HNBLOZHYSA-N	237.255	-0.061	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccns1	705502142	BLTJAENYCMAWFF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
NNC(=O)C(=O)CC(=O)c1cccs1	705924672	JFRGYQYOGUGEQE-UHFFFAOYSA-N	212.230	-0.120	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706114367	KASNZWKFNASLCT-DOLQZWNJSA-N	229.324	-0.154	50	10	BBGE	
CCO[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	706227991	OJPFFBCPZAKGMN-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
COC[C@@H]1CCCCN(CCC(=O)NN)C1=O	711526015	PPYKXHKUUYGVQD-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)NN)CCO1	721873340	GBPXLKJYMSBJMX-HTQZYQBOSA-N	243.307	-0.314	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H]1OC	724139097	LAODEXYVDHPPRI-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
CC(C)C(=O)NNS(=O)(=O)N1CCC[C@H]1C	769858467	FKPPHKMMUMXPDH-MRVPVSSYSA-N	249.336	-0.008	50	10	BBGE	
Cn1ncc(-c2csc(NNC(N)=O)n2)n1	790587705	ZSCFKYCQUHXOOC-UHFFFAOYSA-N	239.264	-0.066	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)[C@]1(C)CCCO1	854690078	PGIAPMOIQXXZCO-QWRGUYRKSA-N	242.275	-0.360	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNC(=O)CN(C)C)C1	857105187	GFDCXSLGXINREM-RKDXNWHRSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)/C=C(/C)CN1CCOCC1	899925879	CEDWUNTZHQSTOL-CLFYSBASSA-N	241.291	-0.568	50	10	BBGE	
CNC(=O)NNC(=O)c1ncccc1OC	1142143207	XOPKLBJNQHECOZ-UHFFFAOYSA-N	224.220	-0.336	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@]1(C)CCC(=O)NC1	1256524093	SGTBCIIEESVFKV-JTQLQIEISA-N	242.279	-0.795	50	10	BBGE	
C[C@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	1290713244	YUAWRGNGUUODDQ-RRHFRXRFSA-N	234.259	-0.176	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCOCC1	1321046879	PFYLUSGJNJUFII-MRVPVSSYSA-N	200.238	-0.030	50	10	BBGE	
CC[C@@H](F)C(=O)NNC(=O)CN(C)C	1472504291	ZYOXUWJYILMFLU-ZCFIWIBFSA-N	205.233	-0.557	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C[C@@H]1COC(=O)C1	1623762659	RCMWGMGLXRKSFC-ZETCQYMHSA-N	243.263	-0.368	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1nc2ncccn2n1	1625912715	QCJNNFPPIJBTHS-UHFFFAOYSA-N	249.234	-0.960	50	10	BBGE	
C/C(C#N)=C\Cn1cnc2c(nnn2C)c1=O	1652896741	SLNXPRDLXNGCNO-XVNBXDOJSA-N	230.231	-0.005	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H](N)CCC(=O)O	1866016832	FMBNMGAFFGLSAY-WDSKDSINSA-N	222.672	-0.078	50	10	BBGE	
NC[C@@H](CO)NC(=O)[C@H]1C[C@H]1Br	1881353634	KRPMBDPVRYNELY-HCWXCVPCSA-N	237.097	-0.794	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H](O)CF)C1	1891539730	SNHHKKDCZNVLBM-YUMQZZPRSA-N	205.038	-0.744	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](CCO)C1	1894738136	XYFVWQIEWVPGEG-KXUCPTDWSA-N	227.308	-0.683	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1[C@H](C)[C@H]1C	1897041762	NVMQQUMFZHCLGE-HTQZYQBOSA-N	227.308	-0.013	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H]2CC[C@H]2O)[nH]1	1897961407	UOJVBJQACUHGAZ-NTSWFWBYSA-N	243.698	-0.372	50	10	BBGE	
C#CCCCOC(=O)NCCC#CB(O)O	1900776246	FKOQTFICRLJKGT-UHFFFAOYSA-N	223.037	-0.469	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H](C)N1	1901376999	IVPWVLMGRMNMGA-YUMQZZPRSA-N	249.336	-0.562	50	10	BBGE	
CCn1cnnc1CN1CC[C@H](B(O)O)C1	1902517662	KIZZQOXVTQESPA-QMMMGPOBSA-N	224.073	-0.653	50	10	BBGE	
C[C@H](C(=O)N1CC[C@@](C)(B(O)O)C1)N(C)C	1902521495	HYZUSXOIAWPZKT-PSASIEDQSA-N	228.101	-0.598	50	10	BBGE	
CS[C@H]1CC[C@H]1Oc1ncc(B(O)O)cn1	1904989258	SZOGQXZNTITITL-SFYZADRCSA-N	240.093	-0.571	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	1905975690	BGGHLLOXMPZCCB-NGJRWZKOSA-N	241.052	-0.925	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)C1(CO)CC1	1908709160	RFXAVNJOWMYRQO-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(CN1C[C@H](CO)C(C)(C)C1)C(=O)NN	1914010006	CUEOAPCNFFEIAD-SECBINFHSA-N	243.351	-0.047	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)[C@H](C#N)C1	1914868664	GFWISYRCSMJHGC-ZJUUUORDSA-N	239.323	-0.715	50	10	BBGE	
Cn1ncc(C(=O)N(CCCl)C2COC2)n1	1915647276	RLPWBKLVRYQITB-UHFFFAOYSA-N	244.682	-0.105	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(F)(F)C1	1917244009	ZBMJGONPFLZKSY-WDSKDSINSA-N	205.208	-0.437	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)CC(C)(C)C1	1923174249	QANJXVOQZAGFTE-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnoc1	1923410313	LDOYNDFYWOYLCV-UHFFFAOYSA-N	223.110	-0.002	50	10	BBGE	
CCNC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927915610	IXAVKMWHJHTCOV-NKWVEPMBSA-N	231.321	-0.518	50	10	BBGE	
CCOC1CC(CN(C)CC(=O)NN)C1	1928241377	HRVGZSXTNXTNFV-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(CO)C1	1929743097	MBOVQEPPGZINBD-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNCCO)[C@@H]1C	1929839156	YVRXNFUENDVAFN-BZNPZCIMSA-N	216.281	-0.341	50	10	BBGE	
CN(CC1[C@@H]2CCC[C@@H]12)C(=O)C(=O)NN	1930487434	YFCVRSMYKZGRMV-RNFRBKRXSA-N	211.265	-0.519	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(N)=O)S1	1931580812	JIRABTREPSQCTR-WHFBIAKZSA-N	203.267	-0.030	50	10	BBGE	
C[C@@H]1[C@H](Cn2ccc(B(O)O)n2)C1(F)F	1931657410	AGEBFVJENZWHAX-RITPCOANSA-N	215.996	-0.536	50	10	BBGE	
CCN(C)[C@@H]1CCN(CCC(=O)NN)C1	1933287450	PMRZPXFEDQGMDF-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(OC(F)F)C1	1935928221	HWBHWWCVNYQAJE-UHFFFAOYSA-N	245.176	-0.465	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)N1C	1936091790	OUZALRCZFXRNOS-BIIVOSGPSA-N	226.280	-0.632	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CCCO2)C1	1936094968	RVNYXECLIDCLTJ-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@]1(C)C1CC1	1936114306	WUWPBASMFHSCTD-GZMMTYOYSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CN(C)C[C@H]1OCCO[C@@H]1C)C(=O)NN	1940292034	ROXYOMHASFORBK-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940643732	KZXKDFIXQAAXAL-VHSXEESVSA-N	241.335	-0.295	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](F)C1	1941013218	UOSSWLOBUXIXPU-IVZWLZJFSA-N	247.314	-0.204	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941083275	OZAVPDRTMOXFOA-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCN(CCF)CC1	1941091528	ZASCKQAXGORKKW-ZJUUUORDSA-N	244.314	-0.801	50	10	BBGE	
CCc1nn([C@@H](C)COC)c(CC)c1B(O)O	1944692931	UTZGDEZOHNQILJ-QMMMGPOBSA-N	240.112	-0.105	50	10	BBGE	
COC(=O)N1CCc2cc(B(O)O)ccc2C1	1944858724	DCQPTFCYUDJTDL-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1947203446	PPRZJDDWLNRGNU-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN1CC[C@@H]([C@H]2CCOC2)C1)C(=O)NN	1947535008	CNDVOWLHIYRGCQ-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@]12CC[C@@H]1C2	1951283426	CNKCVXOOHBCIAF-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
CS(=O)(=O)c1ccccc1[C@@H](N)[C@H](O)C#N	1952820755	JWZMIAAXFQQMHH-PSASIEDQSA-N	240.284	-0.026	50	10	BBGE	
CN(Cc1ccccc1)c1ncncc1B(O)O	1953337678	JVYHCGNHFLQNPW-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1C(=O)NN	1956752929	JNESCFXNQZJREC-ZCFIWIBFSA-N	200.242	-0.974	50	10	BBGE	
Cc1nn(C)c(=O)n(CCCCl)c1=O	1957347543	ZIYYZTRCIVNDLK-UHFFFAOYSA-N	217.656	-0.121	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1958117176	ORBFOZKSWXOUDD-DSYKOEDSSA-N	220.219	-0.109	50	10	BBGE	
CN(CC(=O)NN)C1CCC(CO)CC1	1961446879	SPBUFCQLTOEBJF-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
CCON(C)c1ncc(B(O)O)cc1C	1961717566	CBQGEXRRZIAOTP-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	1976757992	JTTIQFLUVSHXKC-PRJMDXOYSA-N	227.264	-0.950	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC)C[C@H]1C	1977147241	KLNLUXYNRJDNOA-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](Cl)CNC(=O)c1c[nH]c(=O)cn1	1979657850	KRFLRTDXVFZXRI-ZCFIWIBFSA-N	245.666	-0.247	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1980949462	IMZIIYHZWKFOKY-VPTHRUTESA-N	247.364	-0.402	50	10	BBGE	
CCC1(C)CN(c2ccncc2B(O)O)C1	1981427224	SSTMDRREFKBDKJ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
OB(O)c1cnc(Sc2cnccn2)nc1	1981455303	YPWLMHYZZVVKPJ-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982259891	DZBCSYMAGPWJLK-QEYWKRMJSA-N	227.308	-0.421	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H](CCO)C(F)F	1984132230	OHHFBCRBKKHTKR-BQBZGAKWSA-N	239.266	-0.297	50	10	BBGE	
NNC(=O)c1cccc(CSC2CNC2)n1	1984169043	UOGBYMXJPZGKJW-UHFFFAOYSA-N	238.316	-0.110	50	10	BBGE	
COc1cccc(CN(C)CC(=O)NN)n1	1985355619	UGTMCJJIPZYFCV-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1[C@H](C)CC(=O)NN	1985716270	QVMICFWPGBUIEX-WCABBAIRSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)CCC(=O)NN	1990039630	STTVTGIUDULLED-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1990040757	IYKUKJWJJKCDSZ-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C=CCNC2)CC1	1997374551	SIESODIRIDBIDR-JTQLQIEISA-N	235.287	-0.361	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CCNC(=O)C2)CC1	2001086269	SIRXWYSMMORMTK-JTQLQIEISA-N	237.303	-0.137	50	10	BBGE	
NNC(=O)c1coc(CN2CC3(CCO3)C2)c1	2004491224	RXISTVDACXSHBZ-UHFFFAOYSA-N	237.259	-0.142	50	10	BBGE	
Cc1cc(OC[C@@H]2CCCO2)ncc1B(O)O	2004929403	KSKYOTYNGAFFFF-VIFPVBQESA-N	237.064	-0.372	50	10	BBGE	
CCOCCOc1nc(C)nc(C)c1B(O)O	2004935057	UXFGBXPSMMXQHJ-UHFFFAOYSA-N	240.068	-0.811	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1c1ncccc1B(O)O	2004936196	WFHVZWMXCRAGLQ-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(N2CC3(CC3)CO2)ncc1B(O)O	2005014511	MLOBCKAQUPKAAK-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
Cc1cnc(N2CC[C@@H](CF)C2)c(B(O)O)c1	2005017444	FHEJOPBIJQIREC-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN(C2CCOCC2)C1	2005218935	XFRPLMBELAYOMF-SECBINFHSA-N	242.323	-0.197	50	10	BBGE	
C[C@@H](CN1CCO[C@H](C(C)(C)O)C1)C(=O)NN	2005914166	XHQLJXVSUVUBKZ-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2010994865	KCOJTJSAIVPEIP-UTINFBMNSA-N	241.335	-0.439	50	10	BBGE	
CO[C@]1(CN(C)[C@@H](C)CC(=O)NN)CCOC1	2013414661	NKGBMHRBDYYIPJ-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC[C@H]2C[C@@H]21	2016676360	VMKATIGWWZGOCP-QXEWZRGKSA-N	233.076	-0.426	50	10	BBGE	
CCC[C@@H](COC)N(C)CC(=O)NNC(C)=O	2019208829	JFCIAIVHRVVIBF-JTQLQIEISA-N	245.323	-0.099	50	10	BBGE	
Cc1nc(C(=O)N[C@H]2CCC=C2B(O)O)co1	2020056499	LMQBOJCDTQLBJY-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
C[C@@H](CN(C)C)OCc1cccc(B(O)O)c1	2022701950	GMZVZAZIUMBGDJ-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
Cc1nc(N2CCCN(C)CC2)ccc1B(O)O	2052625668	NIRSTWUDYKBZSQ-UHFFFAOYSA-N	249.123	-0.788	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1	2079009715	KPMJLSVSQZAHLP-SNVBAGLBSA-N	243.071	-0.538	50	10	BBGE	
OB(O)c1csc(Cn2cccn2)c1	2209685382	CIAHQAJMFGHGBJ-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@@H]1C1CC1	2211136500	SIUMEKUEGLMVBT-SNVBAGLBSA-N	238.121	-0.193	50	10	BBGE	
C[C@]1(F)CCN(Cc2nscc2B(O)O)C1	2211137708	KEEORHDYGLCROD-VIFPVBQESA-N	244.100	-0.243	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cn1)C(C)(C)N	2212609923	ZKBJLDZQGMGBCI-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
CCCC1(Nc2ncc(B(O)O)cn2)CC1	2212610591	LJOWQIQLVKCWSZ-UHFFFAOYSA-N	221.069	-0.099	50	10	BBGE	
CCCOCCNc1ncccc1B(O)O	2212615370	NZEXFJAYFCOKHR-UHFFFAOYSA-N	224.069	-0.400	50	10	BBGE	
Cc1ncc(F)c(=O)n1CCCC(=O)NN	2212632476	FGVDDJSZTNYADU-UHFFFAOYSA-N	228.227	-0.539	50	10	BBGE	
CON(C)C1CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215770721	DCODYMFPWCPJRB-WCBMZHEXSA-N	242.323	-0.820	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN(C1CC1)C1COC1	2215774282	DBFBARVOBVUEBS-LDYMZIIASA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H]2CF)CCC1	2216533815	GZAQQVYMSIRICY-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@]3(CCO3)C2)c1	2217172022	GVASMOKDIFZFBX-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccoc1	2217177618	KZIZQISFKRGOSC-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
Cc1cnc(NC[C@@H]2NC[C@H]3C[C@H]32)cc1B(O)O	2223641586	VACDFBZCMCZHDJ-KKZNHRDASA-N	247.107	-0.910	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@@H]3CC[C@H](C2)O3)c1	2223645603	BBCNZZJYMOVYQK-FGWVZKOKSA-N	248.091	-0.117	50	10	BBGE	
C=C[C@@]1(Oc2ncccc2B(O)O)CCCNC1	2223650278	KWBCCENMCHEXHM-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](O)CCC12CC2	2223666581	MYOJLEZNTYNQHC-VIFPVBQESA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]3CC[C@@H]3C2)[nH]c1	2223676102	WGVPTEHNQKKGML-OWUUHHOZSA-N	247.107	-0.574	50	10	BBGE	
O=C(N1CCOCCO1)C1(B(O)O)CCC1	2243363329	FDGDKNHPVYECGJ-UHFFFAOYSA-N	229.041	-0.826	50	10	BBGE	
O=C(NC1CC(F)C1)c1occc1B(O)O	2243365302	KUCLRMIKSNGTKF-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](C1)O2	2243381259	DVPKMNCJSNXDHL-WZENYGAOSA-N	225.053	-0.761	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)CO	2243390768	BBJDGJKSVUKVQY-YUMQZZPRSA-N	229.085	-0.531	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243395733	BFVSYHSEOOZWAK-DTWKUNHWSA-N	219.049	-0.619	50	10	BBGE	
COCCC(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243395892	DODCDFHGZVBERV-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2243396638	OTLZBESGIANYTM-XSPKLOCKSA-N	229.085	-0.628	50	10	BBGE	
C#CCCN(CC(C)C)C(=O)C#CB(O)O	2243404709	SNRVTLXZEMPQKT-UHFFFAOYSA-N	221.065	-0.490	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)s1	2243408555	PKJMODXQOPGBTP-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243427308	SXLGXFJMDUQSNR-YUMQZZPRSA-N	227.069	-0.608	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@]2(O)C[C@H]2C1	2246743285	MUSYPSPFYNTGGP-CBAPKCEASA-N	249.261	-0.542	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)CC2CC2)n1	2247152822	NJAZTPUFUAJZLW-UHFFFAOYSA-N	236.080	-0.384	50	10	BBGE	
CC(C)C[C@H]1CN(C(=O)C#CB(O)O)CCO1	2247747810	SMMMIAGYLHUBCM-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
CCCN(C(=O)c1cc(B(O)O)n[nH]1)C1CC1	2247783177	ARLRYGULEIAGPE-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247791624	NWSALMZFNYQOAX-XKNYDFJKSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247796987	FHZRNSVBCCPSLF-SQXHDICFSA-N	240.112	-0.791	50	10	BBGE	
CC(C)C[C@](C)(CN)NC(=O)[C@@H]1C[C@H]1B(O)O	2247798466	ULZWLMAIASOLSN-FXPVBKGRSA-N	242.128	-0.271	50	10	BBGE	
CN(c1ccnnc1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247799702	HAIBQCVARPZORD-ZKCHVHJHSA-N	235.052	-0.308	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@H]21)C1CC(B(O)O)C1	2247806457	NFQQXOOUCLVSLG-HZUXAKDWSA-N	238.096	-0.894	50	10	BBGE	
CC1(C)[C@H]2C[C@H](CNC(=O)C#CB(O)O)C[C@H]21	2247842318	SFSINFDOEMLMNT-OWUUHHOZSA-N	235.092	-0.200	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)o2)C1(F)F	2247850866	AKTYQGRNHILEOX-FBCQKBJTSA-N	244.990	-0.657	50	10	BBGE	
C[C@@H](CCN(C)C)NC(=O)C1(B(O)O)CCC1	2247880067	YBUBSTUZGZENTK-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(NCC[C@H]1CCOC1)C1CC(B(O)O)C1	2247893570	UXZMMSKBUMDXBZ-IDKOKCKLSA-N	241.096	-0.218	50	10	BBGE	
C[C@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894554	IADHMHKUACCBLK-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)C1CC(B(O)O)C1	2247906364	YCDCAKSPPKWBHK-SPGGCIFMSA-N	239.080	-0.467	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248573850	KMQFKCKBMYXUIW-CSMHCCOUSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2248588044	YHHLQDDIOAMBIB-RQJHMYQMSA-N	241.052	-0.543	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2cocc2B(O)O)[C@H]1C	2249406897	JGGJAAJHGQPQEB-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CCC[C@@H]21	2249419175	DDLKIKUKBFXOOT-XVKPBYJWSA-N	235.048	-0.416	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1cc(B(O)O)co1	2249433621	ORKWFDQBZUUPPF-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@@H]2C[C@@H]2C1	2250000891	OYZZCJBUDQCFLY-GMTAPVOTSA-N	235.092	-0.056	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1nc(C)ccc1B(O)O	2255483573	FBYCIXZTVULXRJ-SECBINFHSA-N	248.091	-0.284	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2[C@H]3CC[C@H]32)n1	2255486441	AMSVWDTZQJVTLE-MBTKJCJQSA-N	246.075	-0.792	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(F)c(B(O)O)c1	2255504898	JKJYBHRMEVOMDL-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
C#C[C@H](NC(=O)c1ncccc1B(O)O)C(C)C	2255513910	ABCREBINZVKXEC-JTQLQIEISA-N	246.075	-0.851	50	10	BBGE	
C#CCCN(CCC)C(=O)c1occc1B(O)O	2255686051	LBYRYGCEAWIMDP-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
CCCC=CCNC(=O)c1ncccc1B(O)O	2255713424	ARADSEITHRHWSL-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2255716721	UGYYHAFUSLZBEU-PRQTWWFRSA-N	247.059	-0.560	50	10	BBGE	
C=CCCCNC(=O)c1nc(C)ccc1B(O)O	2255724668	HEMQZSFOYWRHPG-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(C)c(B(O)O)c1	2255736281	KCZJINIXAORNQV-NSHDSACASA-N	245.087	-0.019	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1O	2255952025	NUAAMRVEHGYPIW-MRVPVSSYSA-N	249.075	-0.234	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1O	2255955121	IYNFYJFTDLVDMC-GMSGAONNSA-N	249.075	-0.448	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1cocc1B(O)O	2258135383	RHFSYAYEWPXTHP-UMSVSBSPSA-N	247.059	-0.656	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298376683	IXBMBTGVDHRVQW-BECAKDQMSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)[C@H]1C[C@H](B(O)O)C1	2298377331	NJSTVLBCUKNOSJ-HKBCETJISA-N	241.096	-0.483	50	10	BBGE	
CC(=CCN=c1cc(B(O)O)cc[nH]1)C1CC1	2300049327	KMBYEZCJBUHNGV-UHFFFAOYSA-N	232.092	-0.049	50	10	BBGE	
CCN(CC)CC(=O)N1CC[C@](C)(B(O)O)C1	2303114568	MOQSEWGANHGZPH-NSHDSACASA-N	242.128	-0.206	50	10	BBGE	
CC[C@](C)(CN(CCO)C[C@H](C)O)C(=O)NN	2303424933	XAYFSSIUNWTZRH-GXSJLCMTSA-N	247.339	-0.932	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)C[C@@H](F)C1)C(=O)NN	2303426094	KREOMHRGLQBMCJ-YWVKMMECSA-N	247.314	-0.203	50	10	BBGE	
CC[C@H]1C[C@@H]1CCOc1ncncc1B(O)O	2303612135	SKRGIAMMJWMSIF-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	2303837001	UNXJQJBEJUPZLH-HTQZYQBOSA-N	238.071	-0.220	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@H]1CCN1	2303857357	DIQOEWSLSPRXKZ-HZGVNTEJSA-N	240.043	-0.970	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@H](N)C1	2317164484	AEZBAPPJDBCLEC-JLIMDTESSA-N	245.091	-0.613	50	10	BBGE	
COC(=O)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317166190	SFBCITGZJONDBJ-ZETCQYMHSA-N	248.047	-0.789	50	10	BBGE	
Cc1cn(-c2ccc(C=O)c(B(O)O)c2)c(C)n1	2317311590	RSSUMFJWUZDBNZ-UHFFFAOYSA-N	244.059	-0.019	50	10	BBGE	
CC1(N)CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2317349976	LSFLERCFQUCCCM-UHFFFAOYSA-N	248.091	-0.529	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1cc(B(O)O)ccc1OC	2319324666	YRGWHTGRKLPSLV-VIFPVBQESA-N	247.059	-0.110	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@H]3CC[C@H]2NC3)c1	2325308696	QKDGGQUNGAFQQS-IEBDPFPHSA-N	248.091	-0.719	50	10	BBGE	
Nc1nc(=O)c(NNC(=O)c2ccccc2)n[nH]1	39238564	JGKIWTCNMQNSLF-UHFFFAOYSA-N	246.230	-0.496	50	10	BBGE	
NNC(=O)CN1C(=O)CNc2cc(F)ccc21	76890235	VJDLQKONEYXQDQ-UHFFFAOYSA-N	238.222	-0.426	50	10	BBGE	
CC(C)COCCn1cc(C(=O)NN)nn1	82463698	DPKIGGHWKSDJOL-UHFFFAOYSA-N	227.268	-0.446	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CCO1	82466158	AUAXPGSJMHBWGU-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CCN(CC(=O)N(C)C)C[C@H](C)C(=O)NN	82470153	NETLQVWYGYBWSU-QMMMGPOBSA-N	230.312	-0.978	50	10	BBGE	
CN(CCc1ccccc1)C(=O)C(=O)NN	83852867	GMGJDIWCDPTLER-UHFFFAOYSA-N	221.260	-0.323	50	10	BBGE	
C[C@@H]1C(=O)N(CCCCC(=O)NN)C(=O)[C@H]1C	92112341	HGQUUGAIYKRALL-YUMQZZPRSA-N	241.291	-0.212	50	10	BBGE	
O=C1CNC(=O)N1C[C@H](O)CBr	156247928	BFBIYTBDDIEJEN-SCSAIBSYSA-N	237.053	-0.706	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CO)C1	166152834	RVSLUXSZRIDQFC-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
OB(O)c1ccc2c(c1Cl)NCCO2	205901942	FQGNGZIRTSOUCJ-UHFFFAOYSA-N	213.429	-0.176	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251502	BCPDAYSQSIYHHZ-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)[C@@H](C)O	230309892	SXIVFTNEDKOTML-RITPCOANSA-N	220.294	-0.344	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CCOCC1	232420247	YPOSPUURQQDVPT-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CN1CCN(C)C[C@@H]1C)C(=O)NN	235593699	LZCVDJOUUWVPHW-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
CS(=O)(=O)c1cc(B(O)O)c(F)cc1F	238383147	FXTRIJKZDGOIJM-UHFFFAOYSA-N	236.004	-0.952	50	10	BBGE	
OCc1ccc(B(O)O)c(Br)n1	238724968	UHCLOSKACNYGLG-UHFFFAOYSA-N	231.842	-0.984	50	10	BBGE	
Nc1cc(B(O)O)c(N)c2sccc12	306697527	ZOULFXZCRXQNGI-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCCc1nc(Cl)ncc1B(O)O	307499037	KXUBMJLAQSKSJL-UHFFFAOYSA-N	200.434	-0.238	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1C[C@H](C)O	310118693	AQUNJJJEZNIGIY-WPRPVWTQSA-N	243.307	-0.611	50	10	BBGE	
CN1C[C@@H](NC(=O)NC(=O)CCCl)CC1=O	381001377	OTAHAOUFACLFOP-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
OB(O)c1cccc([C@@H](O)C(F)(F)F)c1	382769631	GXTDCAKUMIUGRZ-SSDOTTSWSA-N	219.955	-0.038	50	10	BBGE	
Cn1nc(C2CC2)c2cc(B(O)O)cnc21	390052861	JYUQQTOUWLJYPN-UHFFFAOYSA-N	217.037	-0.475	50	10	BBGE	
CS(=O)(=O)NCC1(C(=O)NN)CCCCC1	393641996	PHRUKSCKBJHMCD-UHFFFAOYSA-N	249.336	-0.524	50	10	BBGE	
CCOc1ccc(B(O)O)c(CCC(=O)O)c1	396095644	GHMMWWMGCGRKDI-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC[C@H]1C)C(=O)NN	399407853	JCURYYHQKAUTPL-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(OC(F)F)C1	399958064	WRZUTZBENPEUPH-SSDOTTSWSA-N	237.250	-0.076	50	10	BBGE	
CC[C@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	404983184	LFKOIUNLPQQHBZ-CBAPKCEASA-N	234.064	-0.254	50	10	BBGE	
CN1CC[C@@H](N2CCC(O)(C#N)CC2)C1=O	686011495	GMTIGWQQAHNQNG-SECBINFHSA-N	223.276	-0.432	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccnn1C	689551539	IGJNWMKFCOEWFX-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCCN2)CC1	692115441	YWABDTOMPXXATJ-SECBINFHSA-N	223.276	-0.385	50	10	BBGE	
CCOC(=O)[C@H]1CN(C)CCN1C(=O)CCl	701690544	XTRAVYMXXJWMEB-MRVPVSSYSA-N	248.710	-0.069	50	10	BBGE	
CCn1cc(CN(C)[C@@H](C)C(=O)NN)cn1	703384409	ZXXCGWPYLFCRMT-QMMMGPOBSA-N	225.296	-0.287	50	10	BBGE	
CNNC(=O)c1ccc(-n2cncn2)nc1	704655516	LYFRJRBSIMEFGF-UHFFFAOYSA-N	218.220	-0.474	50	10	BBGE	
CC(C)[C@@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710193604	XCQCVHDEKQYLNH-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)CCC[C@@H](Cn2ccc(B(O)O)n2)O1	714351018	WZAGRZNLIIASBI-VIFPVBQESA-N	238.096	-0.089	50	10	BBGE	
C[C@H](O)C1CN([C@@H](C(=O)NN)C(C)(C)C)C1	719810727	JXGFOESAZXUWIT-CBAPKCEASA-N	229.324	-0.296	50	10	BBGE	
Cc1cc(C)nc(Cn2cc(B(O)O)cn2)c1	723622793	WQNFZLLYBMVBCO-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCOC[C@@H]1O	725628030	BEYCIJVBQDKQGB-QYNIQEEDSA-N	207.657	-0.120	50	10	BBGE	
Cn1nnc([C@@H](Cl)C(=O)NC2CC2)n1	725663810	NUQUGPQXPYJLCY-RXMQYKEDSA-N	215.644	-0.231	50	10	BBGE	
C[N+]1=C/C(=N/[S@@+]([O])(=O)CCCl)NC1	725678693	AVAIXIFPFHNFQP-CYBMUJFWSA-N	224.693	-0.343	50	10	BBGE	
O=C(CO)NN=C1CCCc2n[nH]cc21	814896188	NPOYKCUUKHBFJD-UHFFFAOYSA-N	208.221	-0.441	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccoc1	824702017	KQNGYNATDQCTLD-BRPSZJMVSA-N	236.227	-0.067	50	10	BBGE	
C=CCCCC(=O)NNC(=O)c1cn(C)nn1	855189006	ZKWNGAUNIWDWHZ-UHFFFAOYSA-N	237.263	-0.068	50	10	BBGE	
Cc1cc(=NNC(=O)Cc2cnnn2C)cc[nH]1	862515662	ZIOBDPFORYJLBQ-UHFFFAOYSA-N	246.274	-0.374	50	10	BBGE	
CC(C)(C)C(=O)C(=O)NNC(=O)c1ncon1	1134616232	BWIIHJZDVIMXED-UHFFFAOYSA-N	240.219	-0.554	50	10	BBGE	
O=C(NNc1ncccn1)c1c[nH]nc1[N+](=O)[O-]	1141445539	QBDQHLNGZYLBNY-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
O=C(CCF)NNC(=O)Cc1cc[nH]n1	1331911992	VFASASOBRVAPFP-UHFFFAOYSA-N	214.200	-0.541	50	10	BBGE	
O=C([C@H]1CC12CC2)N1CC[C@H](B(O)O)C1	1351729890	QANYLPWJAQPPCQ-JGVFFNPUSA-N	209.054	-0.138	50	10	BBGE	
CN(C)C(=O)NNC(=O)C(C)(C)c1cnc[nH]1	1442465080	AAOYULXHOVRFFQ-UHFFFAOYSA-N	239.279	-0.010	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnn(C)n1	1442575094	XEZKOFOBSVWDAQ-UHFFFAOYSA-N	226.240	-0.833	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(C(N)=O)o1	1556926578	VYMSVQCPZDAFAR-LURJTMIESA-N	241.247	-0.664	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)NC1CC1	1583459011	VPOXYASBOIZVFT-ZETCQYMHSA-N	225.248	-0.483	50	10	BBGE	
CCC(=O)C1(C(=O)NNC(=O)C(C)(C)O)CC1	1634249876	MOUGZZIZFFCBOO-UHFFFAOYSA-N	242.275	-0.336	50	10	BBGE	
COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NN	1880030612	NCBOTVTXPQLTAT-ZCFIWIBFSA-N	249.267	-0.552	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@H]2Cl)COC1	1883644033	FCYCDZMXMKXTKH-PHDIDXHHSA-N	204.657	-0.542	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1NC(=O)C(=O)NN	1884880772	CMYZFFRNHNUHNI-WVBDSBKLSA-N	207.180	-0.864	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCOCC1	1900528244	RKHDCTMBMIUCEI-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C(C(N)=O)[C@H]2C1	1900616352	MBOITVMQXIXKNV-ACZMJKKPSA-N	213.668	-0.220	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1n1cc(B(O)O)ccc1=O	1901186972	LMBRBAOHIHMSDL-HTQZYQBOSA-N	221.065	-0.255	50	10	BBGE	
C[C@@H]1CNC[C@@H](C(=O)NN(C)S(C)(=O)=O)C1	1901375358	KQQCFVAWDOWOJT-YUMQZZPRSA-N	249.336	-0.845	50	10	BBGE	
Cc1nnccc1CN1CC[C@@H](B(O)O)C1	1902511647	HRFNGZPOSJWBLH-SNVBAGLBSA-N	221.069	-0.166	50	10	BBGE	
COC1(C)CN(Cc2nc(B(O)O)cs2)C1	1902637804	QVOLYJUGAXEJED-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]2C1=O)C(=O)NN	1902728898	IFJVMYSUDQHBKI-VAOFZXAKSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](CCN)Nc1cc(B(O)O)c(F)cn1	1903010747	SPSHOEQEBZLERQ-ZCFIWIBFSA-N	227.048	-0.950	50	10	BBGE	
O=C(O)[C@@]1(N[C@H]2C[C@H](Cl)C2)CNCCOC1	1904263604	POOLPGCTNKSPFG-NQMVMOMDSA-N	248.710	-0.211	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CC(=O)NC1=O	1905558738	LIPFGZQEPSBXCI-WHFBIAKZSA-N	218.640	-0.465	50	10	BBGE	
Cc1nc(N2C[C@@H](F)[C@H](F)C2)ccc1B(O)O	1907079716	IUIUQPHRCMGINT-RKDXNWHRSA-N	242.034	-0.434	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@@H]2C[C@@H]21	1909028849	YPYLVPUQDBIACO-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCC1COCCOC1	1911317484	PUIUWAFSRLLJFA-VHSXEESVSA-N	244.291	-0.708	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914262770	RKWISQXIXQLCKB-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(F)(F)C1	1927913408	IVGKQALAVJYZEY-RQJHMYQMSA-N	219.235	-0.047	50	10	BBGE	
C[C@H](CN1CCOCC[C@H]1C)C(=O)NN	1929659876	SDADENCOGQMQQL-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
O=C(CC[C@@H]1CCCCO1)NNCCO	1929838825	TZDIQZTVKJVLEK-VIFPVBQESA-N	216.281	-0.051	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](O)(CC)C1	1930889477	GTNQVXRBMQRYDH-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](F)C[C@H]1C(=O)O	1931741897	UCCYSQZJBBRXPE-RITPCOANSA-N	219.216	-0.330	50	10	BBGE	
NNC(=O)CN1CCN2CCCC[C@H]1C2	1933481048	HZONCHFAUNXPHG-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1936092158	SAGCIILHCFCIMR-RYPBNFRJSA-N	225.292	-0.131	50	10	BBGE	
Cc1nnc(CN(C)C[C@@H](C)C(=O)NN)n1C	1943111907	RYVUSMUNXFSHJY-SSDOTTSWSA-N	240.311	-0.819	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H](CO)[C@H]2C1	1944548410	OQQMYPVAJMTPAQ-XWLWVQCSSA-N	241.335	-0.439	50	10	BBGE	
N#CC1(O)CCN(Cc2ncoc2CN)CC1	1946073374	IYBBZFWPNJPKGN-UHFFFAOYSA-N	236.275	-0.016	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)[C@H]1CCOC1	1946751672	GPUZTOMCRZVGQZ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H](OCC(=O)O)C1	1947619782	RLKLFTNHFAHOKD-QMMMGPOBSA-N	245.279	-0.262	50	10	BBGE	
C[C@]1(CO)COCCN1C[C@H](O)CCl	1956680255	CNWHNFCEEFXRFJ-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CN(C(=O)OCCl)[C@H]1CC(=O)NC1=O	1956858742	PWDJMQQCPIEMRE-BYPYZUCNSA-N	220.612	-0.334	50	10	BBGE	
C[C@]12CN(CCC(=O)NN)C[C@@]1(CO)C2	1960274023	RKQCXWOHVOZLDI-VHSXEESVSA-N	213.281	-0.929	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1[C@H]2CCCCC[C@H]21	1960569593	TVKDASLKXGABBA-BRPSZJMVSA-N	211.070	-0.059	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@](=O)[C@@H](C)C1	1961555079	ZCMJEXUICZFFSJ-FWZFKDBCSA-N	233.337	-0.792	50	10	BBGE	
CCOCCC(=O)N1CCC(B(O)O)CC1	1964501403	VGZYQUDSFSNQJK-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
Cc1ccncc1[C@H](C)NC(=O)C(=O)NN	1976568526	VHJUAOPJSSOUHX-ZETCQYMHSA-N	222.248	-0.443	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCC[C@@H]21	1978773150	AQDQOKQMDPNBCW-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
CN(C)NC(=O)N1C[C@@]2(C)C[C@]2(C(=O)O)C1	1978992092	YODPJQOLKWUPRB-NXEZZACHSA-N	227.264	-0.031	50	10	BBGE	
CC(C)[C@H]1CCN1c1ncncc1B(O)O	1981417030	WJJKJISZEWNQRE-SECBINFHSA-N	221.069	-0.609	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@@H]1C[C@@H]1C	1981531331	WKPGVQYLXMLOAG-OIBJUYFYSA-N	220.081	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1981995942	JBPICDIDQDXQFH-SRQGCSHVSA-N	225.292	-0.669	50	10	BBGE	
CN(CCCC(=O)NN)CC1[C@@H]2COC[C@@H]12	1982261613	ZTTSMTRSRAWVRW-UWVGGRQHSA-N	227.308	-0.419	50	10	BBGE	
CN(C(=O)NN)[C@H]1COC2(CCOCC2)C1	1984300953	LTCURVRYYLJZMI-MRVPVSSYSA-N	229.280	-0.160	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@@H]1CCN1C	1987091478	CGRZIRIQROIJFG-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
COC[C@H](C)CCOCCOCC(=O)NN	1987526649	ZROVZIJBVJNMOH-SECBINFHSA-N	234.296	-0.318	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@@H]2CC[C@H]21	1988712600	WTWGPFSCBBPSAI-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@H](CO)O1	1991712176	DIGCHULBVJUBEG-YEMZYZDBSA-N	247.678	-0.084	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2cccc(B(O)O)n2)[C@H]1C	1998446830	YNJQIGMATBUKJD-BQBZGAKWSA-N	234.064	-0.398	50	10	BBGE	
CON(C[C@H]1CC[C@@H](C(=O)NN)O1)C1CCC1	2000669215	CEUWAOWTFLWBCZ-ZJUUUORDSA-N	243.307	-0.060	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)CC[C@H]1CO	2001930905	VEDXOZPKVDWXPO-SCZZXKLOSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1OCCN(c2ccncc2B(O)O)[C@H]1C	2004925277	OHBZXBBLUHEHCZ-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
COc1nc(OCC(C)(C)C)ncc1B(O)O	2004933667	KUTKGAZRLKKIIH-UHFFFAOYSA-N	240.068	-0.410	50	10	BBGE	
Cc1nc(O[C@@]2(C)CCOC2)ncc1B(O)O	2004935609	ZADZCPOXPNBCLS-JTQLQIEISA-N	238.052	-0.977	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C2(CCCC2)C1	2006030808	SEEOZWMXOLYYLC-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)[C@H]1C[C@@H]1F	2006989467	TUSDKISXUPMRKK-XPUUQOCRSA-N	241.002	-0.198	50	10	BBGE	
C[C@H](c1ccccc1O)N(C)C(=O)C(=O)NN	2017508519	SZCSBWFJIHIBIB-SSDOTTSWSA-N	237.259	-0.099	50	10	BBGE	
CCCN(C)C1CN(CC(=O)NNC(C)=O)C1	2019179543	RYFPMEDGWIXLHL-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@H](C)C#N)C1CC1	2019209071	ICPCUHOLRAZEEK-MRVPVSSYSA-N	238.291	-0.222	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1CN2CCC1CC2	2021072139	NSIXXOWLWIGQDE-QMMMGPOBSA-N	249.261	-0.278	50	10	BBGE	
C[C@H](C(=O)NCC#CB(O)O)[C@@H]1CCCCO1	2021157853	SBLRTCCFZYWJNF-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
COCC(COC)CN(C)C[C@H](C)C(=O)NN	2022019263	DHJJZALBCSXGGS-VIFPVBQESA-N	247.339	-0.547	50	10	BBGE	
O=C(NC1CC=CC1)c1ccccc1B(O)O	2022195998	FDRABCWTINWLHQ-UHFFFAOYSA-N	231.060	-0.185	50	10	BBGE	
O=C(C1CC1)N1CCc2cccc(B(O)O)c2C1	2032569186	JSESRDVJWQMPHL-UHFFFAOYSA-N	245.087	-0.339	50	10	BBGE	
CC(C)(CN1CCc2nnccc2C1)C(=O)NN	2043019371	HYVDDHJSIQSHBY-UHFFFAOYSA-N	249.318	-0.149	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2ccnc2C2CC2)n1	2052603594	QRNDLSUKXHOERU-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
CCc1c([N+](=O)[O-])ccc(B(O)O)c1F	2060090850	LSLSYMUYWMQKGM-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
COc1ccc(C=O)c(B(O)O)c1Cl	2060132484	FGMQDGFMDZYBQU-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1cc([N+](=O)[O-])c(C=O)cc1B(O)O	2060283428	HYUJGMCAORIEPI-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@@H]1CCC[C@@H](Cn2cc(B(O)O)cn2)O1	2210953991	OSRWTNHODBLYOO-SCZZXKLOSA-N	224.069	-0.480	50	10	BBGE	
NNC(=O)C1(CN(CCO)C2CC2)CCC1	2212260229	BPQYVFLLPASAPJ-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CN1CCC[C@H](OC(F)(F)F)C1	2212377052	WHAKUQRJAWCXFD-LURJTMIESA-N	241.213	-0.023	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]32)cc1B(O)O	2212606270	RGPBALQMOBNRRT-WCBMZHEXSA-N	218.065	-0.332	50	10	BBGE	
C=CCN(CC=C)c1ncc(B(O)O)cn1	2212611585	BOLCGELZZRQAEL-UHFFFAOYSA-N	219.053	-0.665	50	10	BBGE	
C=CC(C)(C)COc1ncc(B(O)O)cn1	2212611611	CKKNAAQJRACWLM-UHFFFAOYSA-N	222.053	-0.253	50	10	BBGE	
CCOC(=O)Nc1ccc(Cl)c(B(O)O)n1	2212767660	BXOSMCWYYDCVOB-UHFFFAOYSA-N	244.443	-0.017	50	10	BBGE	
NC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214596387	PWIPIPDOCMZFEN-GFCCVEGCSA-N	234.108	-0.711	50	10	BBGE	
C[C@H](O)C1CN(Cc2cccc(B(O)O)c2)C1	2214604302	ZSAXYQZGGJJUCB-VIFPVBQESA-N	235.092	-0.821	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]2C2CCC2)nc1	2217171498	BHLYMIFGEAMVCO-ZJUUUORDSA-N	233.080	-0.243	50	10	BBGE	
Cn1cc(Nc2nccc(B(O)O)c2F)cn1	2217179059	FUEAFXFFEODFTA-UHFFFAOYSA-N	236.015	-0.622	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@H](CN)C2)cc1B(O)O	2217181147	NLQNCDDJVBPMFO-KYZUINATSA-N	236.080	-0.814	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1nccc(B(O)O)c1F	2217182259	BEGOHHKAXKCHAW-SVRRBLITSA-N	242.034	-0.305	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@H]32)c1F	2217182618	FPWMPLZBDMHNTO-VXNVDRBHSA-N	236.055	-0.111	50	10	BBGE	
CCOCCCCNc1ncccc1B(O)O	2217198966	ISQCAWHFYUFXJY-UHFFFAOYSA-N	238.096	-0.010	50	10	BBGE	
C[C@@H]1CCC[C@@H]1Cn1cc(B(O)O)cnc1=O	2217409471	SJYHQGZNYXVAGT-RKDXNWHRSA-N	236.080	-0.641	50	10	BBGE	
CN1CC=C(CNc2ncccc2B(O)O)CC1	2223638103	UPGCCBYJYWWXPN-UHFFFAOYSA-N	247.107	-0.565	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@]3(CCOC3)C2)c1	2223671029	GRCNOSAHEVHXKH-GFCCVEGCSA-N	248.091	-0.622	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3COCC[C@H]32)c1	2223678837	IMENDOLDBWZWBW-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
CC[C@H]1CN(c2cc(B(O)O)ccn2)CC[C@H]1N	2223679769	UKNZRFTXUZZXGR-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CC(C)(C)ONC(=O)[C@H]1C[C@H]1B(O)O	2241480464	KWRFDRUUQXJFEG-NTSWFWBYSA-N	201.031	-0.304	50	10	BBGE	
CO[C@H](CCl)CNC(=O)CS(C)(=O)=O	2242441323	RXJPFAHDNGJACG-ZCFIWIBFSA-N	243.712	-0.599	50	10	BBGE	
CO[C@H](C)CN(C(=O)C#CB(O)O)C(C)C	2243356308	FPMPQIOKHKSAOF-SECBINFHSA-N	227.069	-0.726	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2(B(O)O)CC2)[C@@H]1C	2243364285	UOXVHBXWNDGZEY-GJMOJQLCSA-N	227.069	-0.467	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CC1)C(C)(C)O	2243365353	LIVYYZCETHDDGA-SSDOTTSWSA-N	229.085	-0.341	50	10	BBGE	
O=C(NC1[C@@H]2COC[C@@H]12)[C@H]1C[C@@H](B(O)O)C1	2243371871	AJHAQZDOQYOPIV-ULAWRXDQSA-N	225.053	-1.000	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)sn1)C1CC1	2243377993	KWGQDEWDXBQGJV-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
Cc1cc(C(=O)NC#N)cc(C)c1B(O)O	2243381712	ITCQQFMJGUFCCB-UHFFFAOYSA-N	218.021	-0.806	50	10	BBGE	
CC(C)[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2243396718	PVAUCIUUTOPDKD-HACHORDNSA-N	229.085	-0.628	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243403701	BFQUUGKNTGYRDI-PRJMDXOYSA-N	225.053	-0.223	50	10	BBGE	
CCCONC(=O)c1cc(C)c(B(O)O)o1	2243404444	OIMSFNPXNKGPCO-UHFFFAOYSA-N	227.025	-0.661	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccsc1B(O)O	2243408166	IILGGKOIFWFBSB-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
O=C(NC1CCCC1)c1occc1B(O)O	2243410383	AJUUKDBLVYGMJN-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CSC[C@@](C)(O)CNC(=O)C1(B(O)O)CC1	2243410598	DWUWZGCKWYWBBP-QMMMGPOBSA-N	247.125	-0.776	50	10	BBGE	
CN(C[C@@H]1CCNC1)C(=O)C1(B(O)O)CC1	2243410743	GZIZAWCIFVNBLH-MRVPVSSYSA-N	226.085	-0.939	50	10	BBGE	
Cc1nc(C(=O)NC2CCC2)c(B(O)O)s1	2243413499	HRHKEMCWQSYEFR-UHFFFAOYSA-N	240.093	-0.586	50	10	BBGE	
Cc1nc(C(=O)NC2(C)CC2)c(B(O)O)s1	2243414253	WVEFGHPBVRYOOX-UHFFFAOYSA-N	240.093	-0.586	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)sn1	2243415052	NISORMVZKPGIQS-NTSWFWBYSA-N	240.093	-0.649	50	10	BBGE	
COCC(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243419754	GCQJOBJAHIJLIA-ZKCHVHJHSA-N	229.085	-0.219	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)cn1C(C)C	2243459515	FSPTYHKLQZOFQL-UHFFFAOYSA-N	225.053	-0.075	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)C1CN(C2CNC2)C1	2243968760	RKJQZTJSGXHBMK-KYZUINATSA-N	243.738	-0.224	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2244215114	AKSGKNVZUPEMIA-MUWHJKNJSA-N	223.037	-0.512	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC2(CNC(=O)CO2)C1	2245334985	GHLISOBGJNTXEO-SSDOTTSWSA-N	246.694	-0.269	50	10	BBGE	
CN(C)C1CC(NC(=O)C2(B(O)O)CCC2)C1	2247737110	CPNPLSDPHJZOLH-UHFFFAOYSA-N	240.112	-0.408	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247740571	MMYCHEAKIOMCMI-MRVPVSSYSA-N	237.064	-0.026	50	10	BBGE	
CCOc1ccc(NC(=O)C#CB(O)O)cn1	2247742613	REVQZAWRRBTGKZ-UHFFFAOYSA-N	234.020	-0.566	50	10	BBGE	
CCC1(CC)CN(C(=O)C#CB(O)O)CCO1	2247747326	LVNMEZLVTYWYJX-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
C[C@@H]1NCCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790312	GTDMNNYKNKYSGM-AATLWQCWSA-N	240.112	-0.504	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](O)C2(CCC2)C1	2247797069	FZOFAQXZSAWWEA-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)C2CC(B(O)O)C2)CO1	2247797440	JREOXXDRZUXZBI-NFTFJBJSSA-N	241.096	-0.125	50	10	BBGE	
NC1CC2(C1)CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247806938	GVFXDYHTPNMPOY-ZKCHVHJHSA-N	238.096	-0.811	50	10	BBGE	
NC1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247807332	QORRUIYDSAZDIN-MAUMQABQSA-N	238.096	-0.955	50	10	BBGE	
O=C(N=c1ccnc(F)[nH]1)C1CC(B(O)O)C1	2247808166	SUXVSKKEDUQJMA-UHFFFAOYSA-N	239.015	-0.771	50	10	BBGE	
C[C@H](CO)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247808667	LRJBECWZOSENHE-GUBZILKMSA-N	243.112	-0.236	50	10	BBGE	
C[C@H]1CC[C@H](CCN(C)C(=O)C#CB(O)O)O1	2247850098	JUFCGTUXXKBJCR-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2247851068	CLRBWWRTCVEQQD-LKEWCRSYSA-N	243.018	-0.591	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CCC2)[C@@H]1CO	2247853575	OGQPMIRFRQVPAM-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2C)ccc1B(O)O	2247875394	XUIJDNPFKRYLGM-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
C=C(F)CNC(=O)c1ncc(C)cc1B(O)O	2247893691	WLABEGHLUROWGA-UHFFFAOYSA-N	238.027	-0.717	50	10	BBGE	
O=C(NCc1cccc(O)c1)[C@@H]1C[C@@H]1B(O)O	2247897426	SFGCDCNELUJHRU-ZJUUUORDSA-N	235.048	-0.129	50	10	BBGE	
NCc1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247899155	KUIIRJQYXFINRN-ZJUUUORDSA-N	234.064	-0.053	50	10	BBGE	
CCCN(CC)C(=O)c1nccnc1B(O)O	2248046786	BSBBCBCHZOFAQN-UHFFFAOYSA-N	237.068	-0.972	50	10	BBGE	
O=C(O)C1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2248579020	XBMDAFDQOOTTAJ-SFYZADRCSA-N	241.052	-0.828	50	10	BBGE	
COC(C)(C)CNC(=O)c1cc(B(O)O)co1	2249407441	ACYPWLUMFMKTRF-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](C1)[C@@H]2O	2249557616	JMJDEJGINWJKJI-JIGDXULJSA-N	249.261	-0.686	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3CCC[C@@H]32)n1	2254574411	SDLICYJKMNMZPU-WPRPVWTQSA-N	248.091	-0.241	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1occc1B(O)O	2255484111	IGITYOORJDWYOA-BRPSZJMVSA-N	249.075	-0.313	50	10	BBGE	
Cc1cccc(C(=O)Nc2nc[nH]n2)c1B(O)O	2255511899	QSBPVSDWKJQUED-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
NCCc1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2255564379	OWGIETUOGARKJX-QWRGUYRKSA-N	248.091	-0.011	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255731727	KGWRINGJBKMYEX-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)CC1CC1	2257492445	VPUCOJTUQPUGMV-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cc(=O)cc[nH]1	2257494110	XACHXWADYISRAU-VIFPVBQESA-N	248.047	-0.795	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1cocc1B(O)O	2258135928	IETDVEAUQMSQJW-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2297961108	JVEWQQITFYTBTO-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@]2(CO)CC[C@H]1C2	2299777363	ZQSPGLDMUFTGHZ-YSSBGUOXSA-N	239.080	-0.777	50	10	BBGE	
CC(C)(CN1CC[C@H]2C[C@]1(CO)C2)C(=O)NN	2299810508	RWYBUIHKZCACBN-WVSHTKLVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1C[C@@H]2C[C@H](C1)O2	2300371047	LTAKVQLCRZZPGI-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
CC(=O)N1CCC(N(C)[C@@H](C)C(=O)NN)CC1	2301396070	XFXDEBQVLWXJKF-QMMMGPOBSA-N	242.323	-0.693	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@@H]2O)cc1B(O)O	2301423129	OOPMZBPMINRLPF-MNOVXSKESA-N	235.048	-0.886	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2301510350	SJMZODZKNYESNW-ZBGLXGBJSA-N	239.080	-0.779	50	10	BBGE	
CC(C)=C(CN1CC(N2CC(F)C2)C1)B(O)O	2301854218	JHABXLWXPOCSSG-UHFFFAOYSA-N	242.103	-0.327	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCO[C@@H](CO)C1	2302048965	CBJYBWFSFVYNTF-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CN[C@H](COc1ccc(B(O)O)cn1)C(C)C	2302495465	UWSXXVKIVRVPGE-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@]2(C)CCNC2=O)C1	2303135846	LBTOOQMCOJOVPR-MNOVXSKESA-N	240.112	-0.549	50	10	BBGE	
CN(C[C@@H]1CCO1)c1cc(B(O)O)c(F)cn1	2303836754	QUHSHKMUSJGXAS-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
CCN(C[C@H](C)N)c1cc(B(O)O)c(F)cn1	2303848038	SJOWJLJMMPSGGP-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
NNC(=O)CCCCCN(CCO)C1CC1	70652490	CTRDIFRTWXFATG-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@H]1C	82467548	TVGRBXKVFNWQDE-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CSC2COC2)O1	86196134	GGDDNSXMQYXBPJ-POYBYMJQSA-N	232.305	-0.344	50	10	BBGE	
O=C1CN([C@@H]2CCN(C3CC3)C2)CC(=O)O1	111218157	XOPDGFIKXLNPKM-SECBINFHSA-N	224.260	-0.392	50	10	BBGE	
O=C1CN([C@H]2CCN3CCC[C@@H]3C2)CC(=O)O1	158875902	BECSQIHSIXWVJX-ZJUUUORDSA-N	238.287	-0.001	50	10	BBGE	
O=S(=O)(CCCCCl)NC(CO)CO	162594545	BDICEWIVQAFKKV-UHFFFAOYSA-N	245.728	-0.722	50	10	BBGE	
COc1cc(B(O)O)ccc1-c1ncon1	170013849	VRFLJEAHEZQVTQ-UHFFFAOYSA-N	219.993	-0.575	50	10	BBGE	
CCNC(=O)c1ccc(B(O)O)cc1C	203564163	MKKCFSOAEAQXQA-UHFFFAOYSA-N	207.038	-0.575	50	10	BBGE	
N[C@@H](CC1CC1)C(=O)N1CCC[C@@H]1B(O)O	205615655	NGDCTNACLXSLPV-DTWKUNHWSA-N	226.085	-0.883	50	10	BBGE	
CC(=O)NNC(=O)c1nccnc1Cl	225852640	ZPJXYRBEJRFHGG-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CN1CCCN(S(=O)(=O)CCl)CC1=O	229033470	CNDSQCAVBPGHIF-UHFFFAOYSA-N	240.712	-0.323	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC[C@H]2CCCO2)O1	250984011	BRNXMQXVAOUSJO-UTLUCORTSA-N	244.291	-0.281	50	10	BBGE	
CCCNC(=O)CSC[C@@H](C)C(=O)NN	300884076	SVIDVIBTZHSGCP-SSDOTTSWSA-N	233.337	-0.128	50	10	BBGE	
O=[N+]([O-])c1ccc(B(O)O)nc1Br	306611679	GXMNNMGGTJILKV-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@@H]([C@H](O)[C@H]2O)[C@@H]1CCl	307349372	FWCUIQMBBGFVSD-ZLSXHNQQSA-N	206.669	-0.179	50	10	BBGE	
O=S1(=O)CC(n2cnnc2CCl)C1	307458504	DDJBYELCAOVSGQ-UHFFFAOYSA-N	221.669	-0.014	50	10	BBGE	
Cn1nnnc1SSC[C@H](N)C(=O)O	308554513	ZAUBELWSXCMRNL-VKHMYHEASA-N	235.294	-0.638	50	10	BBGE	
Cc1cnn(-c2cc(F)cc(B(O)O)c2)c1	309514787	TWKATYOPDLHBCF-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
OB(O)c1ccc(-c2cncnc2)nc1F	309554902	LZOMIAKBJGBQBI-UHFFFAOYSA-N	218.984	-0.643	50	10	BBGE	
CO[C@@H]1COCC[C@@H]1N1CC(=O)OC(=O)C1	310192911	XYZARMQOPDPSOV-JGVFFNPUSA-N	229.232	-0.824	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1cc(C#N)cn1	379944533	IOIRGWVWCHZGAH-RNFRBKRXSA-N	207.237	-0.058	50	10	BBGE	
CN(C)CC(=O)c1cccc(B(O)O)c1F	380494875	AZUWHVZIFXKFFT-UHFFFAOYSA-N	225.028	-0.750	50	10	BBGE	
CN=c1nc(CC(C)=NNC(=O)NC)[nH]s1	381327505	RPKPGROSHGOJFZ-UHFFFAOYSA-N	242.308	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCSC[C@H]1CO	388089422	CRUPOIHAJQFNET-DJLDLDEBSA-N	247.364	-0.589	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOCC1	395602873	YKWCYUGESPAKQQ-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(F)c1	396043886	WKQDSIONBKNHHW-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
CCOC(=O)CCc1cc(B(O)O)ccc1C#N	396109161	NUFIRNFILBZBGZ-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(CC#N)c1	396140402	WCKNYABTDCVGKZ-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
Nc1cc2c(C=O)ccc(B(O)O)c2s1	396244197	AUWKIUWHWVMQJR-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)n1	404972146	QYFQDLOJOGPWQA-HTQZYQBOSA-N	234.064	-0.254	50	10	BBGE	
CN(C)CC(=O)Nc1ccc(F)cc1B(O)O	404987493	XFEABRJFJLLEEW-UHFFFAOYSA-N	240.043	-0.994	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1CC(=O)NN	688752375	DOKXQXCZUUKLSO-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCSC[C@H]1CCO	689850634	OKFMMDCMVMJFIR-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CO[C@H](C2CC2)C1	691781240	UIZWOMUHRWIPFV-QNSHHTMESA-N	227.308	-0.136	50	10	BBGE	
C[C@H](CNC(=O)OCCl)S(N)(=O)=O	692816937	CVVCTKQDPHXAOC-SCSAIBSYSA-N	230.673	-0.414	50	10	BBGE	
Cn1c(O)nnc1CNC(=O)OCCl	692850543	FMSGDPGEMIKIFE-UHFFFAOYSA-N	220.616	-0.057	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC[C@H]1N(C)C	693629990	LGOYJAAMEKOYSG-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CC(C)(C)C(=O)NN	706206410	DMNKGQAMTHMYHN-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
Cn1nnnc1CN[C@H]1CCOC[C@H]1Cl	706757176	ZHCRVKBNGOGOLO-RQJHMYQMSA-N	231.687	-0.304	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@@H]1C1CC1	712805987	QLNAHRBUCSYXBG-JGVFFNPUSA-N	211.265	-0.471	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H](F)[C@H](F)C1	714517275	GUDQQIDCMABEDG-GHMZBOCLSA-N	241.046	-0.142	50	10	BBGE	
CO[C@@]1(CNC(=O)NN)CCSC1	719312709	CWCGQKDVTACNSX-SSDOTTSWSA-N	205.283	-0.319	50	10	BBGE	
CN(C)NC(=O)Nc1cnn(C)c1C(=O)O	725222932	KKLQYCXPKSVFFS-UHFFFAOYSA-N	227.224	-0.284	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)[C@H]2CCOC2)CCCO1	754353979	KNWRKZPGGHEHCX-GZMMTYOYSA-N	242.275	-0.261	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cn(C)c(O)n1	854215197	XOIOQBBIQIAKKU-UHFFFAOYSA-N	226.236	-0.457	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)nn1	855187574	JRFXCMKNLCDBGO-SFYZADRCSA-N	249.274	-0.378	50	10	BBGE	
C/C=C/CNC(=O)NNC(=O)[C@H]1COCCO1	858262002	GMSSGAMJFGBOLP-UFUPEUMYSA-N	243.263	-0.692	50	10	BBGE	
C=C[C@H](C(=O)O)N1C[C@H](Cl)C(=O)NC1=O	952960764	QJRYZLCNWYWWOM-CRCLSJGQSA-N	232.623	-0.215	50	10	BBGE	
CNC(=O)NNC(=O)c1c(F)cncc1F	1136379073	TXKKAKHJMQGDRI-UHFFFAOYSA-N	230.174	-0.066	50	10	BBGE	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC	1464426007	IKFIZFPQJIYRDL-YUMQZZPRSA-N	227.264	-0.072	50	10	BBGE	
CC[C@H](C(=O)NNc1nc[nH]n1)[C@@H](C)O	1611412434	SJFZNXWRUQAQPI-RITPCOANSA-N	213.241	-0.345	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1cc[nH]n1	1640344891	DKXACJOBJRKFRY-NSCUHMNNSA-N	224.220	-0.627	50	10	BBGE	
NC[C@H](CO)NC(=O)[C@H]1C[C@@H]1Br	1881353636	KRPMBDPVRYNELY-SRQIZXRXSA-N	237.097	-0.794	50	10	BBGE	
NC(=S)NNC(=O)C1(CCF)CC1	1883355641	UPZNUOVYQMYNNQ-UHFFFAOYSA-N	205.258	-0.009	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1CNC1	1883626406	GDXPWSVYOOQLCG-UHFFFAOYSA-N	202.641	-0.356	50	10	BBGE	
COC[C@H](CO)NC(=O)/C=C/C(=O)Cl	1893498068	OUIMVRJCEBICRB-SZKDQXIBSA-N	221.640	-0.569	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2COC[C@H]21	1897312266	SVHOEPJFBWBPEJ-OPRDCNLKSA-N	227.308	-0.278	50	10	BBGE	
CO[C@H]1CN([C@H](C)C(=O)NN)CC[C@H]1OC	1897395839	XQKGSAMQDLMWBA-HLTSFMKQSA-N	231.296	-0.900	50	10	BBGE	
C=C1CC(N)(C(=O)NN(C)S(=O)(=O)CC)C1	1901340526	GLRMYIOQNCCYEA-UHFFFAOYSA-N	247.320	-0.653	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)c1n[nH]c(C)n1	1901358296	ALTFKGJJWVPDJZ-UHFFFAOYSA-N	247.280	-0.961	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C1(CN)CC1	1901377850	UACNCPUWTJIFKQ-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC(F)(CO)C1	1901756037	BXSQQVYHLOJPCG-MRVPVSSYSA-N	233.287	-0.449	50	10	BBGE	
CC(C)S(=O)(=O)CCN1CC[C@H](B(O)O)C1	1902504997	BXISQPDUNDSBMQ-VIFPVBQESA-N	249.141	-0.642	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@@H]1CSCCO1	1902521794	KGBZJPPLSZMGMY-IWSPIJDZSA-N	246.332	-0.239	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2cc(B(O)O)ccn2)C1	1902679774	PDFNEVMAHSCXNC-DTWKUNHWSA-N	222.053	-0.980	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](CO)C1)C(=O)NN	1902707599	CQYDWBQJOFVQAF-GXSJLCMTSA-N	229.324	-0.293	50	10	BBGE	
CC[C@](C)(CN1CCN(C)C1=O)C(=O)NN	1902727725	DAVASXRUWAPLAV-SNVBAGLBSA-N	228.296	-0.240	50	10	BBGE	
CC[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@H]1CO	1911478940	LVNDQHHZCHYWOI-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
Cn1nc(O)cc1C(=O)N[C@H]1COC[C@H]1Cl	1913097852	AKWKJFGEJGPXSA-RITPCOANSA-N	245.666	-0.138	50	10	BBGE	
Cc1cc(C(=O)Nc2ncccc2B(O)O)on1	1913611111	SNULRTHSGHDTGJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
COCCCC(=O)Nc1ncccc1B(O)O	1913641260	IAGLATUCFICGBZ-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
N#CC1(O)CCN(Cc2cc(CN)on2)CC1	1924018214	ZTUUTVKDJMZQRW-UHFFFAOYSA-N	236.275	-0.016	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@H]1C[C@H]1C(=O)NN	1927914719	XIFXLRNNSDQBPW-IWSPIJDZSA-N	210.281	-0.296	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1CCl)c1cnn[nH]1	1928740629	HHURNUGOVANZPP-IYSWYEEDSA-N	230.655	-0.212	50	10	BBGE	
NNC(=O)c1ncc(CN2CCC2=O)s1	1928993270	AVOUQXBFUVQXEN-UHFFFAOYSA-N	226.261	-0.521	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CN2CCC1CC2	1930905706	UFPFEGYPPXMFGA-SSDOTTSWSA-N	212.253	-0.972	50	10	BBGE	
CC[C@H](CCOC)C(=O)NNCCO	1931777041	HEHPQRRUYJHPTI-MRVPVSSYSA-N	204.270	-0.338	50	10	BBGE	
Cn1nnnc1CN1CC(OCCCl)C1	1932101728	AYJUMCPGHOQBSV-UHFFFAOYSA-N	231.687	-0.350	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC(O)C2)C1	1937044450	OHISWQALTPOXSC-UHFFFAOYSA-N	235.234	-0.932	50	10	BBGE	
O=C(Cn1cncn1)N1CCOC[C@H]1CCl	1937141448	SMXZJCPHZAXHHP-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(C1)CC2(F)F	1939086279	VYSJKPJUDAFZOS-UHFFFAOYSA-N	233.218	-0.472	50	10	BBGE	
CC(C)(CCN1C[C@H]2C(CO)[C@@H]2C1)C(=O)NN	1943071069	RVCIPACTUUEXBW-RKDXNWHRSA-N	241.335	-0.437	50	10	BBGE	
CN(C)NC(=O)NC[C@@H](C(=O)O)[C@H]1CCOC1	1944996104	NXKBVRXZUIKYFX-JGVFFNPUSA-N	245.279	-0.501	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](CO)[C@@H](C)O	1954186453	UUPHSLLDTCDZEC-DSYKOEDSSA-N	209.673	-0.138	50	10	BBGE	
C[C@H](CN)SCCOCC(=O)NN	1954406705	LLNJBRGROZULCN-ZCFIWIBFSA-N	207.299	-0.927	50	10	BBGE	
CO[C@H]1CC(=NNC(N)=O)C[C@@H]1OC	1954925604	BLFROILZBCQCSZ-BQBZGAKWSA-N	201.226	-0.166	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](COC)C(N)=O	1955570601	ZEOUKPYTOMCSBD-WDSKDSINSA-N	222.672	-0.380	50	10	BBGE	
CC[C@H](O)CN(CC)CCC(=O)NN	1955921720	YDMDUSZWMLVXCX-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
N[C@@H]1CCN(CC(=O)NCC(Cl)Cl)C1	1956719710	BORSAOWAPRQSMT-ZCFIWIBFSA-N	240.134	-0.061	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCO3)C2)CC1	1961518162	CGDTZACXMYXASL-UHFFFAOYSA-N	211.265	-0.769	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1ncno1	1976744875	JVOZEJGANNVMES-ZETCQYMHSA-N	227.268	-0.340	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1979549157	WHYXDALKOWGCPN-DTWKUNHWSA-N	233.287	-0.593	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ncccc1B(O)O)C2	1981422489	PFTMBKXRVBJHBN-KWQFWETISA-N	218.065	-0.392	50	10	BBGE	
Cc1ccnc(-n2cc(Cl)cn2)c1B(O)O	1981465806	QZKHWFKZXDSVBW-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@@H](CO)C[C@H]2C1	1982122036	RICFTUPHROTRBF-AEJSXWLSSA-N	227.308	-0.683	50	10	BBGE	
C[C@H](OC[C@H]1COC(C)(C)CO1)C(=O)NN	1984655181	LCWOZGOFWHPURX-YUMQZZPRSA-N	232.280	-0.425	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@H]1CNC(=O)O1	1987122150	YBXXDPNYVFSIBM-WHFBIAKZSA-N	249.654	-0.452	50	10	BBGE	
Cc1ncn(C)c1CN(C)CCC(=O)NN	1987998393	LPGROIGDYIEPLR-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
COCCOC[C@H]1CCC[C@H](C(=O)NN)O1	1990165396	YDCCYFDOPFKPPT-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CC1(F)F	1990776587	MWKSZJHFROHPNU-SSDOTTSWSA-N	235.234	-0.259	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NCC=CB(O)O	1991339022	ULGNCZQMAGYNND-BDAKNGLRSA-N	227.069	-0.657	50	10	BBGE	
CC(C)(CCN1CCOCCO1)C(=O)NN	1992316356	PGWODDPZWJWHNV-UHFFFAOYSA-N	231.296	-0.344	50	10	BBGE	
C=CC(=O)NCCc1cccc(B(O)O)c1	1994686929	FDFKGDLKEGKAKS-UHFFFAOYSA-N	219.049	-0.789	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1ncc(B(O)O)s1	1994977952	GDFBVALXNPPBEL-RNHFCUEFSA-N	244.056	-0.491	50	10	BBGE	
CCCN1CCN(C[C@@H](C)C(=O)NN)CC1=O	1996755446	DNUYVRSLNNQTEM-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
Cc1nn(C[C@H]2C[C@@H](C)CO2)c(C)c1B(O)O	2001600425	NVELTRHAKYPJQU-GMSGAONNSA-N	238.096	-0.395	50	10	BBGE	
CC(C)NC(=O)[C@H]1CCCN1CCC(=O)NN	2003617192	VSKOOBNKXNUKAL-SECBINFHSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(n2cncn2)CC1	2004042115	UVKZGQCFKZNWEU-MRVPVSSYSA-N	238.295	-0.707	50	10	BBGE	
CN1CC[C@H]2[C@H](CCCN2CCC(=O)NN)C1	2004308097	ZOXDGYITFZDTDQ-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
Cc1nc(O[C@@H]2COC[C@H]2C)ccc1B(O)O	2004925466	QSAFXQOHTQVAEE-GMSGAONNSA-N	237.064	-0.516	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](C2CC2)C1	2004934519	GEJNIKZAFXFTIV-SNVBAGLBSA-N	232.092	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCCOCC2)n1	2005014197	IBQUOMYBKPXFRP-UHFFFAOYSA-N	236.080	-0.703	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCCN1CCOCC1	2007037970	ZOLQKIXUQXCCOU-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C(=O)CCC2=O)C1	2010832392	HXECPBOUFRSCRB-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H](F)C[C@H](F)C1	2011405001	DNZLGWGXHFFMNY-YUMQZZPRSA-N	242.034	-0.352	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@H]21	2015991219	VAUGEUPPWBXIIH-CHWFTXMASA-N	241.335	-0.154	50	10	BBGE	
COC[C@@H]1CN(CC(=O)NNC(C)=O)C[C@@H]1C	2019206914	ARDRBOPOKVWBBC-WPRPVWTQSA-N	243.307	-0.632	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(CC(=O)NNC(C)=O)C1	2019207333	BGMXPYRURGWYCQ-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2COC[C@H]2C1	2019213034	UJBQFDYSOXMOOT-VHSXEESVSA-N	241.291	-0.878	50	10	BBGE	
C=C(CN(C)Cc1nnnn1CCC)B(O)O	2021162662	JTBBACRKXBCQHV-UHFFFAOYSA-N	239.088	-0.917	50	10	BBGE	
CC[C@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	2022364668	MEWFMGHKCINUSD-DTWKUNHWSA-N	235.096	-0.361	50	10	BBGE	
Cc1cc(COc2cncc(B(O)O)c2)ncn1	2029100459	ROCMGNISHARLEF-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCC[C@@H]3C2)n1	2052626876	YECLGFGYQBGSQW-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1ccc(COCCN2CCCC2)cc1	2055688594	VHUFIQKRKFLDGG-UHFFFAOYSA-N	249.119	-0.021	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(B(O)O)c1OC	2060056536	UOWNENUHDOVLNY-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
Cn1ccc2cc(B(O)O)sc2c1=O	2086889410	TTWMFXDDZMFZNT-UHFFFAOYSA-N	209.035	-0.720	50	10	BBGE	
N#Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccn1	2208732831	ZMLDYKSRDYYGMF-VIFPVBQESA-N	245.047	-0.358	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](O)C[C@@H](F)C1	2209564969	JAQNNIXXFXKJQJ-RQJHMYQMSA-N	245.703	-0.040	50	10	BBGE	
C#C[C@H]1COCCN1S(=O)(=O)CCCl	2209894145	XTQSKNMULDIKQE-QMMMGPOBSA-N	237.708	-0.111	50	10	BBGE	
COc1ncc(CN(C)[C@@H](C)C(=O)NN)s1	2212569223	FDBHRNOIIPOBER-LURJTMIESA-N	244.320	-0.038	50	10	BBGE	
CC(C)[C@@H](CO)Sc1cc(B(O)O)ccn1	2212600214	TUWVRPVAXBFYJC-SECBINFHSA-N	241.121	-0.130	50	10	BBGE	
CC[C@H](COC)Oc1cc(B(O)O)ccn1	2212606751	ZISNXILYUGJLMK-SECBINFHSA-N	225.053	-0.435	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C[C@H]1C[C@@H](O)C1	2215775626	HZUQDXUSWRNNIT-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
CN1CCC[C@H]1COc1ccncc1B(O)O	2215829212	SRSUMWGFYIJSRL-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@]23CCOC3)c1	2217174414	YUOWOWJZTPNOJI-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
C[C@@H](CCN=c1ccc(B(O)O)c[nH]1)C(F)F	2217182523	DQDSJVCPIAMAPZ-ZETCQYMHSA-N	244.050	-0.114	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)[C@@H](F)C2)cc1B(O)O	2217182665	GCHLZGMJIKLTMW-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
COCCCCCN=c1cc(B(O)O)cc[nH]1	2217195545	LHKVJQVKYDLBOV-UHFFFAOYSA-N	238.096	-0.588	50	10	BBGE	
N[C@H]1CC12CC(Nc1ncccc1B(O)O)C2	2217200165	RGCBYAIVDZLYNN-DMGUCSGOSA-N	233.080	-0.947	50	10	BBGE	
C[C@@H](C1CNC1)N(C)Cc1cccc(B(O)O)c1	2220053232	BZDZOIOBCKSOQK-JTQLQIEISA-N	248.135	-0.594	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNCC3(CC3)C2)nc1	2223630566	MMUSXBHDKCAEMU-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
Cc1cnc(N(C)[C@@H](CN)C2CC2)cc1B(O)O	2223647914	FGSMRGHYYDXRLY-NSHDSACASA-N	249.123	-0.757	50	10	BBGE	
OB(O)c1cccnc1NCc1ncccc1O	2223666080	GYDWPQHDWSNAII-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
C[C@@H](CN1CCCC1)Nc1ncccc1B(O)O	2223670023	ROOXXYIEIVZXSP-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
CO[C@@H](C(=O)O)C(=O)N[C@H]1C[C@H](Cl)C1	2241657639	MNAHMFKSDFPYIR-HSUXUTPPSA-N	221.640	-0.028	50	10	BBGE	
CC[C@H](CNC(=O)C#CB(O)O)C(C)(F)F	2243356127	BOCKHMWWLZSCPZ-SSDOTTSWSA-N	233.023	-0.201	50	10	BBGE	
COC1CCC(NC(=O)C#CB(O)O)CC1	2243357415	WPJQRPLYEYFGOW-UHFFFAOYSA-N	225.053	-0.924	50	10	BBGE	
CC1(F)CN(C(=O)c2ccc(B(O)O)o2)C1	2243357585	YRFYOVPXFQEDDT-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
CCCCNC(=O)c1nc(C)sc1B(O)O	2243358026	AXRWNVDSDMXCKI-UHFFFAOYSA-N	242.109	-0.339	50	10	BBGE	
C[C@H](CC1CNC1)NC(=O)C1(B(O)O)CC1	2243358772	KWQOGLSKHLJIPJ-SSDOTTSWSA-N	226.085	-0.892	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccsc1B(O)O	2243359312	QRKGEIIRUDLRIM-POYBYMJQSA-N	239.105	-0.092	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)o2)[C@@H]1C	2243362610	UEOYFNBQMGLERI-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2C[C@H]21	2243363505	HUUNOKLWQIOJAW-HTRCEHHLSA-N	221.021	-0.806	50	10	BBGE	
O=C(NCCc1cnoc1)C1(B(O)O)CC1	2243363960	PFPPVLFKUVPGLM-UHFFFAOYSA-N	224.025	-0.660	50	10	BBGE	
Cc1nsc(CNC(=O)C2(B(O)O)CC2)n1	2243364528	YMAVTYROECWEFW-UHFFFAOYSA-N	241.081	-0.530	50	10	BBGE	
C[C@H](O)C[C@H](C)CNC(=O)C1(B(O)O)CC1	2243364744	BOECEACATUTXPD-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
NCC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2243391018	FJLMUTJPBIZAEC-DTWKUNHWSA-N	226.085	-0.953	50	10	BBGE	
CCSCCNC(=O)c1ccoc1B(O)O	2243399659	OPFVKIQWYUOMJE-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C#CCN(CC)C(=O)c1ccsc1B(O)O	2243408460	NNNLCIVQTAHLDD-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1C[C@@H]1B(O)O	2243415347	SLKBIRKDQLXTNZ-SYHAXYEDSA-N	225.053	-0.715	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243415468	VMHAQAJLSRXDQQ-XHNCKOQMSA-N	229.085	-0.267	50	10	BBGE	
C[C@H](CO)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243427187	RMNDAQUHPYFBRH-CIUDSAMLSA-N	229.085	-0.674	50	10	BBGE	
C[C@@](F)(C(=O)NCC=CB(O)O)C(F)(F)F	2243686276	KFAUWUPSWCAWHC-ZCFIWIBFSA-N	242.965	-0.039	50	10	BBGE	
CC1CN(C(=O)N2CCC(B(O)O)CC2)C1	2244180905	SOTSVXYTLDVZKC-UHFFFAOYSA-N	226.085	-0.003	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2C[C@@H]2C1	2247737779	JTNHFPDQNOMSIO-JGVFFNPUSA-N	234.064	-0.824	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H](F)[C@@H](F)C1	2247740579	MPKLJEJFFOWJHH-BQBZGAKWSA-N	244.990	-0.909	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1C(=O)C1(B(O)O)CC1	2247756509	NKRWPAXXINPDHC-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797024	FQNBPFGDZLZLCY-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797201	GZWFFGOFOSPZBS-XKNYDFJKSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799071	ZMBUEBPERNEDCR-CDLYGTGVSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCOC1CCCC1)[C@H]1C[C@H]1B(O)O	2247800687	RNEFEFSEVXXWRX-VHSXEESVSA-N	241.096	-0.075	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2247805059	APJGEDGSHKCYDS-QXEWZRGKSA-N	241.096	-0.075	50	10	BBGE	
C=C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808253	KIYZSKAOJBAOLM-KKZNHRDASA-N	239.080	-0.611	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1cc(B(O)O)n[nH]1	2247854692	HFMPJSGYGWLXLI-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)C1CC(B(O)O)C1	2247855236	PADCKCOIGSLMPB-UHFFFAOYSA-N	243.112	-0.141	50	10	BBGE	
CCN(CC)C(=O)c1cc(F)ccc1B(O)O	2247867748	LRZUZYLWMGGXBJ-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
O=C(N[C@H]1CCN2CC[C@H]1C2)C1(B(O)O)CC1	2247871874	IRAPSICQYZZOKX-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(C(=O)C2(B(O)O)CC2)C1	2247872034	LNRWZZKTKGNRFE-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1cccc(B(O)O)c1	2247980482	VYRMIHUGDDVNMS-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C=CCC1	2248414920	RKXURGVJLRTCHI-QMMMGPOBSA-N	232.048	-0.334	50	10	BBGE	
CCC[C@@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2248584779	BJDQDQQARMBFJF-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2249573771	AAPYDTAZJNWQNM-DOFRTFSJSA-N	239.319	-0.541	50	10	BBGE	
CN(CC1CCC1)C(=O)c1ncc(B(O)O)cn1	2255471417	SJIBPDMHKDKDTC-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2ccc(B(O)O)cn2)CC1	2255515323	WFECZWMEPJHOQH-JTQLQIEISA-N	246.075	-0.400	50	10	BBGE	
COCc1cccc(CNC(=O)C#CB(O)O)c1	2255673565	QVAAYAZZAUUXQC-UHFFFAOYSA-N	247.059	-0.535	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CCCC[C@H]21	2255676744	WESUISDHOGKCBT-DTWKUNHWSA-N	249.075	-0.026	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3ccoc3B(O)O)[C@@H]1C2	2255714073	LSQINROUQDUEPO-HOTUBEGUSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2cncc(B(O)O)c2)[C@H]1C	2255734241	XRFVMPVDQCEMBA-YUMQZZPRSA-N	248.091	-0.607	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1occc1B(O)O	2255738426	SOCGEWZMLAKICG-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
Nc1ncccc1C(=O)N[C@H]1CCC=C1B(O)O	2258872890	ZIZBTACHMBPYAA-VIFPVBQESA-N	247.063	-0.506	50	10	BBGE	
O=C(N=c1[nH][nH]c2ccccc12)[C@H]1C[C@H]1B(O)O	2264227813	LKWVDQNEPVGLHI-JGVFFNPUSA-N	245.047	-0.214	50	10	BBGE	
CS(=O)(=O)C(C#N)=CNc1nc[nH]n1	2297628806	BWPJLSVATIHIGB-UHFFFAOYSA-N	213.222	-0.374	50	10	BBGE	
C[C@H]1CCOCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374770	LVMMLVPGMXAOBN-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@@H]1[C@H]2CO	2298376731	LPZXVJWBQNIWEY-FHNUBNKASA-N	239.080	-0.921	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)CN(C)C(=O)C(=O)NN	2302057734	AUXJMYYUXBJOFK-QMMMGPOBSA-N	245.323	-0.522	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)[C@@H](C)[C@@H]1C	2304109598	KUIFZGJFXLTQFE-YUMQZZPRSA-N	241.291	-0.547	50	10	BBGE	
CO[C@@H]1COCCN([C@@H](C)CCC(=O)NN)C1	2306798637	GZDCBVIAWGJCJV-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2ccc3nncn3c2)C1	2319655313	FNVJTIOENXSBFB-JTQLQIEISA-N	246.079	-0.222	50	10	BBGE	
C=C1COCCN(c2cc(B(O)O)c(C)cn2)C1	2326739369	ISQRTMYBHFSETQ-UHFFFAOYSA-N	248.091	-0.537	50	10	BBGE	
Cc1nn(C)c2cc(C(=O)NN)n(C)c12	45929715	KISRVTIEEBDKNC-UHFFFAOYSA-N	207.237	-0.176	50	10	BBGE	
CN(C)[C@H]1CCc2c(nc(C(=O)NN)n2C)C1	75848648	VQLUXMSSVXEZKC-ZETCQYMHSA-N	237.307	-0.558	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCSC1	83590986	UWYWAMYQJSCKLP-SCSAIBSYSA-N	205.308	-0.396	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CCCCN2C[C@H]1C	94444498	PCUJOJKAIKVJJB-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@H](O)C1	110580497	HYBXQTLBBBNESU-VIFPVBQESA-N	239.275	-0.242	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@](C)(O)C1	161009678	KQXJZDLINIHDNQ-SNVBAGLBSA-N	229.280	-1.000	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)OC(C)(C)C1	164358553	MIRRLNZBFISASY-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CSc1nc(Cl)cc(B(O)O)n1	196237905	AERGFNKONBUIHG-UHFFFAOYSA-N	204.447	-0.468	50	10	BBGE	
OB(O)c1ccn(COCc2ccccc2)n1	204135843	XNMDPXKZLFNUEM-UHFFFAOYSA-N	232.048	-0.263	50	10	BBGE	
O=COC/C=C/c1cccc(B(O)O)c1	208611779	QHXIAHNXIVMJRM-DUXPYHPUSA-N	206.006	-0.447	50	10	BBGE	
CCCn1cc(O[C@@H](COC)C(=O)NN)cn1	232418719	OTXYOFJHMZZJLM-VIFPVBQESA-N	242.279	-0.323	50	10	BBGE	
N#Cc1cnn2ccc(C(=O)NN)cc12	259707971	IROBXTCRVYBJID-UHFFFAOYSA-N	201.189	-0.191	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1CCO	304534083	JFWHZTDCVCZFNY-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CS(=O)(=O)NCCNC/C=C\CCl	308035756	SXVYUJOESNTIEM-IHWYPQMZSA-N	226.729	-0.080	50	10	BBGE	
CC(=O)OC(=O)c1snc(C(N)=O)c1N	309111717	JYAZRVFIFDHZIH-UHFFFAOYSA-N	229.217	-0.473	50	10	BBGE	
CCOc1ccc(CN(C)C)cc1B(O)O	309147286	IXVQSMMKKDOLHW-UHFFFAOYSA-N	223.081	-0.173	50	10	BBGE	
COC(=O)c1cnc2c(B(O)O)c[nH]c2c1	309495814	KZWJIKNKLTUADS-UHFFFAOYSA-N	219.993	-0.971	50	10	BBGE	
C[C@H](O)CNCC(=O)NNc1ccccn1	309976916	UBXKQCMLACXBPC-QMMMGPOBSA-N	224.264	-0.505	50	10	BBGE	
CC(C)[C@@H](CO)N=c1[nH]c(CCl)nc(=N)[nH]1	381025859	XWWBCHAFKSJZGS-ZCFIWIBFSA-N	245.714	-0.126	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC(O)C1	384117947	ISQUSJNZMNWLFP-SNVBAGLBSA-N	221.260	-0.606	50	10	BBGE	
C[C@@H]1CN(Cc2ccoc2C(=O)NN)C[C@H]1O	388613504	MQDCUQQRWRBZNN-VXNVDRBHSA-N	239.275	-0.304	50	10	BBGE	
N#Cc1cccc2sc(CO)c(B(O)O)c12	396230184	XPLYVXQXJKSTAJ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H](CC(=O)NN)SCCC(N)=O	399152087	GRBNKCQFGRUZPT-YFKPBYRVSA-N	205.283	-0.637	50	10	BBGE	
CN(CC[S@](C)=O)CC(C)(C)C(=O)NN	399875741	CREZDWSPGANVBS-HNNXBMFYSA-N	235.353	-0.687	50	10	BBGE	
Cc1scc(CNC(=O)C(=O)NN)c1C	399981104	GZSBFTHAFQWTTP-UHFFFAOYSA-N	227.289	-0.029	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	404963008	DXQPCBCXCYJQJW-MRVPVSSYSA-N	234.064	-0.254	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1cn[nH]c1	404985810	VBXYHWTWAZDMLJ-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cn[nH]c2)c1	405032181	OUUUNWGGUDWLOP-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
N#Cc1cccc(C[S@](=O)CC(=O)NN)c1	526901854	CUNLXRXHJZOQHM-INIZCTEOSA-N	237.284	-0.203	50	10	BBGE	
Cn1cc(NS(=O)(=O)CCl)nn1	575458534	AIEYMRBDQUAAOL-UHFFFAOYSA-N	210.646	-0.247	50	10	BBGE	
C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1	584985379	KXMFONSAZIRZHL-RKDXNWHRSA-N	233.076	-0.011	50	10	BBGE	
CC[C@H]1C[C@H](N2CC(=O)OC(=O)C2)CO1	688490675	WRRABQWPRUBDBY-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(C#N)C1	693997484	KVYDYUKWFVFSSQ-WPRPVWTQSA-N	226.280	-0.773	50	10	BBGE	
CCN(CC)C1CN(CCC(=O)NN)C1	700424363	XOLKNXSGLLOABL-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCC(F)(F)C1	702017307	LFPVKQDXUMZMIR-RXMQYKEDSA-N	206.985	-0.450	50	10	BBGE	
NNC(=O)CN1CCC[C@H](N2CCC2)C1	702305851	OQOZBVKPPMRCDO-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
CCNC(=O)N1Cc2ccc(B(O)O)cc2C1	707984600	MJHDYHRSPTZWCV-UHFFFAOYSA-N	234.064	-0.589	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(O)(C#N)CC1	709392567	XPNHPMKVZPGZFR-RKDXNWHRSA-N	240.307	-0.649	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@]1(C)CO	723000929	UAWDWGIXSWRVQF-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=Cc2ccns2)N1	863151606	PEIFCBGBCUQSNE-ZETCQYMHSA-N	238.272	-0.128	50	10	BBGE	
CO[C@H]1C[C@H](CNCc2cccc(B(O)O)c2)C1	895539743	CVDHKYZZVHAYLZ-AULYBMBSSA-N	249.119	-0.119	50	10	BBGE	
CN(Cc1cscc1B(O)O)CC1COC1	1231950772	KQDGAYBHKVQULD-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1	1299923986	YXXQIVYESQIEHV-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
O=C(NNC(=O)c1ncon1)NC1CC=CC1	1312965527	DZJPYPPBDIWPAW-UHFFFAOYSA-N	237.219	-0.268	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)/C=C/Cn1cncn1	1350801809	VZSDRCGCBKBSRQ-NWALNABHSA-N	239.279	-0.822	50	10	BBGE	
CN(NC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2)C(N)=O	1466168096	RUFHOPRMRLUJGT-XLPZGREQSA-N	227.264	-0.014	50	10	BBGE	
CN1C(=O)NCC12CN(CCCl)C2	1882006541	HCDMZNYBLKISQW-UHFFFAOYSA-N	203.673	-0.065	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SC1CNC1	1882121026	NZKJEADAWIKQOV-PHDIDXHHSA-N	203.311	-0.294	50	10	BBGE	
C[C@H]1CNC(=O)CN1C(=O)[C@@H](C)Cl	1882316206	PQENGVPFNWEWBC-NTSWFWBYSA-N	204.657	-0.039	50	10	BBGE	
NC(=O)NCC1CN(C(=O)CCl)C1	1882745105	QAIXMDVJYITWND-UHFFFAOYSA-N	205.645	-0.648	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@@H](O)C1	1882908094	VFGXRGXXGSRJMO-CSMHCCOUSA-N	209.673	-0.986	50	10	BBGE	
CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)F	1883211289	VSIMHKMWLSXKGY-UHNVWZDZSA-N	210.230	-0.950	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@@H]1Cl	1883639544	NBIUCVPYWOKFQR-RLMOJYMMSA-N	200.669	-0.052	50	10	BBGE	
CO[C@@H](C(=O)O)C(=O)NC1CC(Cl)C1	1884412145	MNAHMFKSDFPYIR-JMMWHDCWSA-N	221.640	-0.028	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1	1885035798	ORMXQBHRNLFOFN-WHFBIAKZSA-N	211.187	-0.093	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)NN(C)C	1886908675	OQKDQWCGTDXVAA-LURJTMIESA-N	203.242	-0.032	50	10	BBGE	
COC[C@@H](OCC(C)(C)F)C(=O)NN	1888993726	UGXYMXWTLHTGBU-ZCFIWIBFSA-N	208.233	-0.244	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]1C	1896022288	IUFZAGSFTKOEEM-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2CC[C@H]2C1=O	1898879893	HLFSUOPAZNXPOK-FSDSQADBSA-N	225.248	-0.850	50	10	BBGE	
O=C(NCCc1ncco1)C1(B(O)O)CC1	1901022478	BRGYBMPMPQTBIT-UHFFFAOYSA-N	224.025	-0.660	50	10	BBGE	
CN1CCC(CN2CC[C@H](B(O)O)C2)CC1	1902529770	QKCARUBPUULXCD-NSHDSACASA-N	226.129	-0.123	50	10	BBGE	
CON(Cc1nc(B(O)O)cs1)C1CCC1	1902643239	YBHNHRBYKHYQFP-UHFFFAOYSA-N	242.109	-0.261	50	10	BBGE	
C#CC(=O)Nc1ccc(C)c(B(O)O)c1F	1905180874	GPCQUJBERRWKAM-UHFFFAOYSA-N	220.996	-0.614	50	10	BBGE	
CN(CCOCC(=O)NN)CCC1CC1	1928179550	QXUXTPRBWRDKNL-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1COC[C@@H]1CO	1928736303	UERWNLPGKSFXLA-ACZMJKKPSA-N	207.657	-0.263	50	10	BBGE	
Cn1cnc([C@H]2CS(=O)(=O)C[C@H]2Cl)n1	1934427922	MWRITQVJEGAMCX-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C)(CO)C1	1935358334	JMJYMIIWAXUSFD-YUMQZZPRSA-N	215.297	-0.685	50	10	BBGE	
CN(C)CC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936085337	QHJHEUDZLYRYKV-ZJUUUORDSA-N	226.324	-0.894	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2COCC[C@H]21	1936287533	WXEMKQQWPSCBHY-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](O)(C(C)C)C1	1937981999	QVXNKWOHYYZTCP-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCN1CC2(CCC2)C[C@H]1CO	1938463135	BIZHRDLQWIVQCU-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1CC(F)(F)C(=O)NN	1940894969	CBGWPWGVJZVLRX-UHFFFAOYSA-N	249.177	-0.275	50	10	BBGE	
CN1CCC(N(C)CCOCC(=O)NN)CC1	1941784162	LQRZFFQVVZJKJW-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
OB(O)c1cccc(OCCN2CCCO2)c1	1942621791	ZRYMDZWVUJIYCC-UHFFFAOYSA-N	237.064	-0.618	50	10	BBGE	
CN(C)CC1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	1942730529	PZXYFOPTXPDFCE-IUCAKERBSA-N	238.287	-0.003	50	10	BBGE	
CC(C)(CN1C[C@@H]2OCCO[C@@H]2C1)C(=O)NN	1944742855	YODGUZSHNLSAAH-DTORHVGOSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](CO)CC2)CC1	1945891480	GSQPRNVBDYQBOY-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CN(C)[C@H]1CN(CCC(=O)NN)C2(CCC2)C1	1949698225	YDAPNNFFGHXYBM-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
O=S(=O)(CCCl)N1CC=C[C@@H](O)C1	1954835256	OZRRTCWXSOBIIR-SSDOTTSWSA-N	225.697	-0.212	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H]1CO	1955573070	XPMUZXWJMZILFD-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
CN(C[C@]1(C)COCCO1)C(=O)NN	1957206375	ZMXVKFSXZWHISC-MRVPVSSYSA-N	203.242	-0.693	50	10	BBGE	
C[C@H](CCN(C)C(=O)C(=O)NN)C(F)F	1957643700	DTGBWBRXBFMOOS-RXMQYKEDSA-N	223.223	-0.274	50	10	BBGE	
Cn1cc(CCN[C@@H]2COC[C@H]2Cl)nn1	1960021370	GRXYSYPUZNPYTK-RKDXNWHRSA-N	230.699	-0.047	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@H]2C1=O	1961365228	SLXHIGAVCZRZBG-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
OB(O)c1ccc(N2CC3CC2C3)nc1	1961677458	JGLPGUAJBXBBEO-UHFFFAOYSA-N	204.038	-0.640	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)C[C@H](C)Cl)C1	1962372386	FICQHIASTFKLFL-LURJTMIESA-N	235.667	-0.250	50	10	BBGE	
C=C1CON(C(=O)c2ccc(B(O)O)cc2)C1	1962788974	CRMYTIWYOHUSIO-UHFFFAOYSA-N	233.032	-0.690	50	10	BBGE	
O=C(NCCF)c1cc(B(O)O)ccc1Cl	1968608452	GEECRFIXELOIHB-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(CF)C1	1975035568	SXWYFOPQOIFUTJ-ZETCQYMHSA-N	219.260	-0.717	50	10	BBGE	
CCC(CC)C(=O)N[C@@H](CB(O)O)C(=O)O	1976980176	VFLCWAWIRLRIIU-ZETCQYMHSA-N	231.057	-0.535	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)CC12CCC2	1980722662	LPOPRPXQXORZKN-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@@H]1CCSC1	1980768024	LDNAUDGDBVQPFA-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
O=C(OCCl)N1CCn2c(CO)nnc2C1	1981094502	YCEISNDXACRLMI-UHFFFAOYSA-N	246.654	-0.081	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(O)(C(F)F)C1	1981254636	OOVLINYDQOWUBP-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ccncc1B(O)O)C2	1981413888	LRTZBPPXRCEQCN-KWQFWETISA-N	218.065	-0.392	50	10	BBGE	
C[C@@H](COc1ncncc1B(O)O)C1CC1	1981424771	YGHQIWYBVYVMHI-ZETCQYMHSA-N	222.053	-0.419	50	10	BBGE	
CCC1CC(n2cc(B(O)O)ccc2=O)C1	1984102341	SJNLQVVLUHNNOZ-UHFFFAOYSA-N	221.065	-0.111	50	10	BBGE	
COC[C@@H](O[C@H]1C[C@@H](N(C)C)C1)C(=O)NN	1986221027	IERLAIBKAVCRCF-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCCN2C)C1	1987147677	LLQGGZOTHRVVTA-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COCC[C@@H]21	1989934241	BCCAZVACWLYNGP-RGOKHQFPSA-N	225.292	-0.667	50	10	BBGE	
O=C1NC(=O)N2CCN(C[C@@H]3C[C@@H]3Cl)C[C@@H]12	1991437708	HQCRHYHSPKKTHH-FXQIFTODSA-N	243.694	-0.150	50	10	BBGE	
CN1CC(COc2cccc(B(O)O)c2)C1	1992756542	RBIQCWIXRCUWMV-UHFFFAOYSA-N	221.065	-0.693	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1996645571	LIALNQXBCWLKSO-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CC[C@@H](O)CC1	1997587197	ALSJXBPENIYXPY-AOOOYVTPSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C(C)C)C(=O)C1	2004023348	IUWJGWNAAIRAFK-SECBINFHSA-N	242.323	-0.693	50	10	BBGE	
Cc1nnc(CN(C)CCCCC(=O)NN)o1	2004410010	SAXGFTRUYQQZPI-UHFFFAOYSA-N	241.295	-0.030	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCC[C@@H]32)nc1	2004918805	QGDFJDIKLVFUGL-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
COC[C@H](C)N(C)c1cc(C)c(B(O)O)cn1	2004918975	SLOCSXAYGGEKTA-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
Cc1ncnc(O[C@H]2CO[C@H](C)C2)c1B(O)O	2004925019	KSUNTCQXPMPJNH-HTRCEHHLSA-N	238.052	-0.979	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CCCOC2)n1	2004930044	QGCNMYSIQMWASX-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2(CCCO2)C1	2008869607	CVZJZIGDBUUQSA-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@]2(CO)C1	2008882958	JCOGNDUFUHFGHP-CBAPKCEASA-N	249.261	-0.684	50	10	BBGE	
CN1CC(N(C)C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010832084	FGGOTOJIYCIJJG-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1COCCOC1	2014500599	ORTZSRVHMFPZMX-DTWKUNHWSA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	2016210430	YTSGYQWMWKQJLF-CVPUBMOQSA-N	245.298	-0.309	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2020067938	MKPULBYDQPCCMX-ZKKRXERASA-N	235.092	-0.037	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@H]2C2CC2)nc1	2022580951	ZJNOQEDCXNRAHU-SCZZXKLOSA-N	234.064	-0.419	50	10	BBGE	
CCN(Cc1ccco1)c1ncc(B(O)O)cn1	2052468706	HMOQPMRFUGSYRI-UHFFFAOYSA-N	247.063	-0.224	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2[C@H]3CC[C@H]23)n1	2052626826	XXORJLIHVFXNSQ-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
CCc1cc(C=O)c([N+](=O)[O-])cc1B(O)O	2060036268	CQGFNXZOLLMCFW-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1C[C@H]2CC[C@@H]2C1	2068701090	CJSKQJNBSBANAC-GHMZBOCLSA-N	247.103	-0.036	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@H]3COC[C@H]2C3)nc1	2077821116	TUWPZMPXHOJMNI-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1ccnc(SC2COC2)c1	2210064834	JXVVGVDXVXXFPR-UHFFFAOYSA-N	211.051	-0.748	50	10	BBGE	
CC(C)(C)n1cc(NC(=O)C(=O)NN)cn1	2210501660	BHQGUBXGMMWWMO-UHFFFAOYSA-N	225.252	-0.434	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)C[C@@H](O)C2)CC1	2210693987	QEFAOCXULSDVGC-JGVFFNPUSA-N	231.271	-0.839	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C[C@@H](C)CO)C1	2212363223	SGZFQIMNCLUNDJ-SCZZXKLOSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CS1	2212602941	AWCLYIXCUSVUPW-HTRCEHHLSA-N	239.109	-0.538	50	10	BBGE	
Cc1cnc(NN2CCCC2)cc1B(O)O	2212603209	DKIGKVYCWOYGCM-UHFFFAOYSA-N	221.069	-0.507	50	10	BBGE	
CC[C@H](Nc1ncccc1B(O)O)[C@@H](C)O	2212603419	FXUMMWRPOBKMFT-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)[C@H](F)C2)c1	2212603637	HYSRAOUQHUIIER-OCAPTIKFSA-N	228.007	-0.742	50	10	BBGE	
CC(C)(N)COc1nccc(B(O)O)c1F	2212611463	BIQBXXSACSYZMQ-UHFFFAOYSA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213027176	FWJMJHFIGXYNAU-NZFPMDFQSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCCC[C@@]2(CO)C1	2216732297	XEYGPGJRCDPQCT-PWSUYJOCSA-N	241.335	-0.149	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3CC[C@@H]3C2)nc1	2217176095	RFNFZSBGANVDEI-DIYOJNKTSA-N	233.080	-0.243	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CC1	2217176958	CLNKNUDWEYTZNK-AOOOYVTPSA-N	235.096	-0.557	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@H]1CCOC1	2217179137	GWEQZBDYKRGLMZ-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cn2)CCC[C@@H]1O	2217180891	LPLXBJRJNDGACX-GXSJLCMTSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(N2CC(CC(F)F)C2)c1	2217197865	SAJSQXIQSQSWKV-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
CC1(C)CNC[C@@H]1Nc1ccc(B(O)O)cn1	2217199733	OTTJNLLPOIXCLQ-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
CCOC1(C)CN(c2cc(B(O)O)ccn2)C1	2217200981	NELZYFZWAAPPLF-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C=CC[C@@H](CO)CNc1ncccc1B(O)O	2217205039	SFJVISPSRAXRFJ-SECBINFHSA-N	236.080	-0.642	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@@H](O)[C@H]2C3)c1	2220069364	DXQKOJJXCSBHCQ-RAIGVLPGSA-N	247.103	-0.679	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC23CCNCC3)nc1	2223633560	YANPYBIOQMZNQT-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(NC2([C@@H]3CCCO3)CC2)c1	2223633931	DAJVOKYFZTXMDN-JTQLQIEISA-N	248.091	-0.115	50	10	BBGE	
Cc1cnc(N2CCC=C[C@@H]2CO)cc1B(O)O	2223639809	GYPQESRMRKXEPZ-SNVBAGLBSA-N	248.091	-0.803	50	10	BBGE	
Cc1c[nH]c(=NCCCC2(N)CC2)cc1B(O)O	2223646897	QSXITFGYDMDQAQ-UHFFFAOYSA-N	249.123	-0.825	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@]23CCOC3)cc1B(O)O	2223651813	FGMSYEKBMGEZMU-ZYHUDNBSSA-N	248.091	-0.339	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)C[C@H]2NCC[C@@H]21	2223656139	IXMKSTCXVMZWJN-UMNHJUIQSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@]23CCOC3)c1	2223662084	SEJPIQBXESJBNT-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1c1ncccc1B(O)O	2223667711	USAFIZYWGAWGMP-ONGXEEELSA-N	249.123	-0.533	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@@H](CN)C1	2223670876	DQRLKZSGUHOIIC-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(P(C)(C)=O)C1	2241805563	AJBOUFQFOSGDEC-ZCFIWIBFSA-N	219.225	-0.328	50	10	BBGE	
C[C@]1(NS(=O)(=O)CCCl)CCNC1=O	2242176038	DLBINJNTOQXRRE-ZETCQYMHSA-N	240.712	-0.577	50	10	BBGE	
NNC(=O)CCOC[C@]12C[C@H](CO1)C2	2242181895	OKIFYUHABXGJFD-OTSSQURYSA-N	200.238	-0.438	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C#CB(O)O	2243356739	MIPAJTBOAGJWNN-KATARQTJSA-N	221.065	-0.590	50	10	BBGE	
O=C(C#CB(O)O)N1CCC12CCCCC2	2243357434	WTTUUFLZXTUKPC-UHFFFAOYSA-N	221.065	-0.063	50	10	BBGE	
CC1(O)CC(NC(=O)C2(B(O)O)CCC2)C1	2243363979	PKMDMNMMVZJRNN-UHFFFAOYSA-N	227.069	-0.587	50	10	BBGE	
CC12CC(NC(=O)[C@H]3C[C@@H]3B(O)O)(CO1)C2	2243381623	HHQKAPDBJDTQIO-PYMHSVQESA-N	225.053	-0.713	50	10	BBGE	
O=C(NOCCC(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243392476	UMYMMYVBSRLUDZ-WHFBIAKZSA-N	240.974	-0.151	50	10	BBGE	
CN(C)[S@@](C)(=O)=NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396477	MPTFXPGGNXEJQK-MTKFTSKYSA-N	248.113	-0.660	50	10	BBGE	
C[C@H](C[S@](C)=O)NC(=O)C1CC(B(O)O)C1	2243397145	WKLVCUYXVSLGQY-NACUTTRXSA-N	247.125	-0.877	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cscc1B(O)O	2243410609	FCUWTWIYMBGVHV-MUWHJKNJSA-N	239.105	-0.044	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)O	2243415065	NPFRZEJONYQJEQ-RNJXMRFFSA-N	229.085	-0.485	50	10	BBGE	
COC[C@]1(C)[C@H]2C[C@@H]2CN1CCC(=O)NN	2243807480	XJVZUBOOOQXQHM-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)co1	2244205114	GATAVUBZYSVBHG-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
CC1(C)CCN1C(=O)c1cocc1B(O)O	2244215334	CALOYMONCBHNDM-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]2C1	2244218900	BTHBAKUZWVXUGC-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
Cn1cccc1C(=O)NCCC#CB(O)O	2244555105	JNIMTJODVXESPE-UHFFFAOYSA-N	220.037	-0.840	50	10	BBGE	
C[C@H]1CC(N(C)C(=O)C#CB(O)O)C[C@H](C)O1	2247740349	JGGSLLHMIPAUCR-IUCAKERBSA-N	239.080	-0.584	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)o1	2247747567	PEKOXMFMKZRRTO-JIGDXULJSA-N	235.048	-0.655	50	10	BBGE	
Cc1ccc(C(=O)N2CCCN2)cc1B(O)O	2247760700	MEVDFTIEBBVCOB-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
Cc1cccc(C(=O)NC[C@@H](C)F)c1B(O)O	2247761087	QRBWSGZRUODAKN-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
O=C(NCC1CCC1)c1ncccc1B(O)O	2247769684	KYMFKPAINPSWEK-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1n[nH]cc1B(O)O	2247784147	QBBVRMJXWMABHV-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2COC[C@@H]21	2247797181	GWMPMNZKEDVXAO-NFTFJBJSSA-N	239.080	-0.513	50	10	BBGE	
COCOCCCNC(=O)C1CC(B(O)O)C1	2247800839	UGVFFGKQIMLXOH-UHFFFAOYSA-N	245.084	-0.634	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1coc(B(O)O)c1	2247868924	ZPSDFWQCYVSBAV-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccncc1B(O)O	2247872444	RZNRTEULASUEEC-VIFPVBQESA-N	232.048	-0.956	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)cn1C)C1(C)CC1	2247873269	HVAUZNHBZPTIPW-UHFFFAOYSA-N	236.080	-0.671	50	10	BBGE	
CC1(NC(=O)c2ccc(F)cc2B(O)O)CC1	2247876260	MBVCDKBGFNOZLB-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247888081	VTGCLVIKWJSRSM-MQIGXGKASA-N	238.096	-0.955	50	10	BBGE	
C#CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900699	ZAEMUPGVWMFYET-BBBLOLIVSA-N	237.064	-0.900	50	10	BBGE	
C#CCCOCC(=O)N[C@H]1CCC=C1B(O)O	2248441656	NABLKBGIZFRDOE-JTQLQIEISA-N	237.064	-0.757	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248573843	KHKNESVUMZIYCV-GJMOJQLCSA-N	243.068	-0.391	50	10	BBGE	
CCC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248584866	CLVOVPCHSGDKCX-CSMHCCOUSA-N	243.068	-0.534	50	10	BBGE	
CC(C)(/C=C/C(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248587011	KITLFBGQIUFHKN-OHUBKANTSA-N	241.052	-0.615	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCC(C)C	2248968692	QNOUKIUVHKQQHT-UHFFFAOYSA-N	236.080	-0.544	50	10	BBGE	
COCC1(C(=O)N2CCC(B(O)O)CC2)CC1	2249378190	LNIREJBXAXMGSX-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
CN(C)CC(C)(C)C(=O)NCCC#CB(O)O	2250002121	HBXFUYVKXBCKJP-UHFFFAOYSA-N	240.112	-0.904	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)oc1C)C(C)C	2255455308	XNQAZPGTBUHSTF-SNVBAGLBSA-N	249.075	-0.345	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC2(CC2)C1	2255455485	AAVRAHMUVPFPQA-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ncncc1B(O)O	2255521086	RQVXUBVABQBHIK-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
Cc1cnc(C(=O)N[C@@]2(C)C[C@@H]2C)c(B(O)O)c1	2255558221	FTMJSSPEXNDKGK-UFBFGSQYSA-N	248.091	-0.402	50	10	BBGE	
Cc1cc(C(N)=O)ccc1NC(=O)C#CB(O)O	2255672497	IJNMGFLJTLENBO-UHFFFAOYSA-N	246.031	-0.952	50	10	BBGE	
O=C(NCCCC1CC1)c1ncccc1B(O)O	2255711112	UUDVSXHAZLFYNE-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC=CCO1	2256604109	AGEPSURWWIBCLT-VIFPVBQESA-N	248.047	-0.955	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1cc(B(O)O)co1	2258132926	KMTWQUTWYGJDNW-OYNCUSHFSA-N	249.075	-0.265	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]3NCC[C@H]32)CC1	2258498881	DVPOIHCULSUTID-HBNTYKKESA-N	249.314	-0.139	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)cc1O	2258957980	DKWJLMCTWOJTPJ-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
COc1ccc(C(=O)NCCC#CB(O)O)nc1	2258960763	KNQDUBSRCNYUIW-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
CC(=O)N1CCN(C(=O)CCl)C[C@H](CO)C1	2296574109	CNZKXOWTYGQYJD-SECBINFHSA-N	248.710	-0.476	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C[C@@H]1CC[C@@H]1C(=O)NN	2298165233	LYELXMVYIIMXBE-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165825	AEHARMQCTWLUTD-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298374996	VTGCLVIKWJSRSM-BQHMLIOBSA-N	238.096	-0.955	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCC[C@@H]1C[C@H]1C(=O)NN	2300370502	KULIRFNHGRBCCP-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
O=C([C@@H]1C[C@@H]2C[C@@H]2CO1)N1CC[C@H](B(O)O)C1	2303105160	NUVKRXNWRWBDBR-JXUBOQSCSA-N	239.080	-0.513	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@]2(C)CCNC2=O)C1	2303135848	LBTOOQMCOJOVPR-WDEREUQCSA-N	240.112	-0.549	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303847999	RRAXDLRIFMOVQV-RNFRBKRXSA-N	242.059	-0.671	50	10	BBGE	
O=C(N[C@]12C[C@](C(=O)O)(C1)C2)C1(B(O)O)CC1	2303902510	USJUEIATGULNFA-DTORHVGOSA-N	239.036	-0.883	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)[C@@H]1C	2304202682	FPSKDJGOZKBDLZ-QEYWKRMJSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1c1ncno1	2307553718	NHVIOOHLLMZRGW-ZCFIWIBFSA-N	239.235	-0.887	50	10	BBGE	
CC[C@H](CCN)Oc1ccc(B(O)O)cc1C#N	2317205374	DQAIKGJRQOVPLI-LLVKDONJSA-N	248.091	-0.256	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2318351433	QWFQKMDOHMTNKK-INTQDDNPSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1ccnc(N2CCN[C@@H]3CCC[C@H]32)c1	2319236979	HFPLGUGXVMXKNU-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
NC(=O)C1CCN(CC(=O)Cl)CC1	32021177	ONCKXNZXNAGTSH-UHFFFAOYSA-N	204.657	-0.051	50	10	BBGE	
NNC(=O)COCC(=O)Nc1ccccc1F	58847076	LZMDHNLMRMZSDZ-UHFFFAOYSA-N	241.222	-0.229	50	10	BBGE	
CC(C)(C)OC(=O)N/N=C/[C@@H](O)CO	59382605	RPUOROCHMMCBQK-ZTTKRAHPSA-N	204.226	-0.150	50	10	BBGE	
C=CCCOCCn1cc(C(=O)NN)nn1	82464613	XDKKSUVBRNHLOH-UHFFFAOYSA-N	225.252	-0.526	50	10	BBGE	
C[C@@H](NC(N)=O)C(=O)NNC(=O)CC(C)(C)C	103198868	CBPNODHHFNDDQR-ZCFIWIBFSA-N	244.295	-0.373	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@H](N)C2)on1	104118511	GLNDHHZTJMLFLG-ZETCQYMHSA-N	239.279	-0.799	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	111152477	ONYJBYXZFVLNOU-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
Cn1c(SC[C@H](Cl)C(=O)O)n[nH]c1=O	132986566	XXFFROZZOXIVIQ-VKHMYHEASA-N	237.668	-0.108	50	10	BBGE	
Cn1ccn(C[C@@H](O)CCl)c(=O)c1=O	157833839	MBGASVCSUVLAPL-LURJTMIESA-N	218.640	-0.853	50	10	BBGE	
CN(N)C(=O)CONC(=O)OC(C)(C)C	219610815	LMENEICZFFWQSJ-UHFFFAOYSA-N	219.241	-0.225	50	10	BBGE	
O=C(C[C@@H](O)CCl)N1CCOCC1	221205794	SHQBTJOAIBTGQY-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
COC(=O)C12C3C4C1C1C2C3C41N=C=O	238374965	YHWCIBAWYCXHKB-UHFFFAOYSA-N	203.197	-0.014	50	10	BBGE	
C[C@]1(O)CC[C@H](O)C/C1=N\NC(N)=O	238491012	FWJCJMHZRVAVKZ-JGNHUJDUSA-N	201.226	-0.694	50	10	BBGE	
ClC[C@H]1CN2CCOB(OCC2)O1	238510054	DGJJRNTWNNDIPG-ZETCQYMHSA-N	205.450	-0.042	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	251235576	RQVKKOWCYIACIL-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCC[C@H]1C(N)=O	251252296	UTWXFYFSYJKBPV-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)S1(=O)=O	306162129	RXTGTODGDMJLAI-LURJTMIESA-N	223.685	-0.390	50	10	BBGE	
OB(O)c1ccc(O)c(F)c1Br	306822669	NXNICOIACKZKSK-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
Cc1cnn(CCOc2ccccc2B(O)O)c1	310864271	PGWOGCYVCAQSRB-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
C/C(=N\NC(N)=O)[C@H]1COCC[C@]1(C)O	379699841	CXFDDOZNGWTUKH-WOIMXHLHSA-N	215.253	-0.182	50	10	BBGE	
CC(C)OCCCN(C)CC(=O)NN	382826530	AGCCJZBMLPCIEG-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
O=C([C@@H]1C[C@H](O)CN1)N1CCSSCC1	389716191	NZQUIJYFLPXHLT-YUMQZZPRSA-N	248.373	-0.067	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1S	396046523	ATYVCHFAZFVCTF-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
CSSCCNC(=O)[C@@H]1C[C@@H](O)CN1	397842929	CPQPYZXWIWQJEU-RQJHMYQMSA-N	236.362	-0.163	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C(=O)NC(=O)CCl)C1	398490382	RWORLEIDFYJUSL-ZCFIWIBFSA-N	247.682	-0.471	50	10	BBGE	
CS(=O)(=O)Nc1cc(Cl)ccc1B(O)O	404900469	CPPAHORSQDAYCS-UHFFFAOYSA-N	249.484	-0.609	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CCCOC1	404933495	GMCZJFPVOKUHJN-SECBINFHSA-N	249.075	-0.269	50	10	BBGE	
COC[C@H]1CCN1C(=O)c1cccc(B(O)O)c1	584992320	KSKVADKPFFXKTP-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
CCCC(=S)O[C@H]1C(=O)OC(=O)[C@@H]1O	585664080	RASSKBLHKOKYLO-PHDIDXHHSA-N	218.230	-0.057	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C)[C@H](CO)C1	687596480	BSNYMDNZWYULJJ-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](CO)[C@@H](CO)C1	704720257	UMPWJAOEBDZACS-YIZRAAEISA-N	218.684	-0.350	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@H]1COC[C@@H]1O	708125132	UCBFCUDCNIQVQX-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@@H](C1=O)C2(F)F	715544418	CUUUZILUGPJMHQ-VDTYLAMSSA-N	233.218	-0.520	50	10	BBGE	
NNC(=O)C(=O)NCc1cnc(Cl)s1	718882353	TUAFKTLLDVOJBC-UHFFFAOYSA-N	234.668	-0.597	50	10	BBGE	
C[C@H](O)C1CN([C@H](C)[C@@H](C)C(=O)NN)C1	719807128	NDWWBFXQJOQWNS-PRJMDXOYSA-N	215.297	-0.687	50	10	BBGE	
C[C@H](O)[C@H](C)NC1=C(C#N)[C@H](N)[N]S1	725590048	WEUQVVZPCUPEBY-KZLJYQGOSA-N	213.286	-0.369	50	10	BBGE	
CN(C)NC(=O)C[C@@H]1COCC[C@H]1N	725614199	PPPWRGCRJDTGRH-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	725674056	WMZKFSYQBDIGKM-PBXRRBTRSA-N	220.656	-0.939	50	10	BBGE	
O=C(Cc1ccoc1)NNC(=O)c1cnn[nH]1	772858506	FARMIGIJDUJGAK-UHFFFAOYSA-N	235.203	-0.599	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC1COCCOC1	816921536	ZALQLEXIAGJUJS-TWGQIWQCSA-N	240.259	-0.038	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NNC(=O)CO	879395706	UMLKUXFSTKGYSZ-RNFRBKRXSA-N	214.265	-0.192	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2)NC1CC1	930720098	MCWXBCMEWOAAPU-HRDYMLBCSA-N	237.259	-0.177	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cc[nH]n1	1147065970	TXHVUWGSRMNROO-UHFFFAOYSA-N	220.192	-0.792	50	10	BBGE	
Cn1nc(C(=O)NNC(=O)C2CC2)cc1C=O	1340444916	IMSQLURPBXGPII-UHFFFAOYSA-N	236.231	-0.596	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@@H]1F)c1ccnnc1	1520238994	FDHUZHPMWVLBIT-RQJHMYQMSA-N	224.195	-0.404	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc2[nH]nnc12	1597672397	UYFPYTWFMPBNQE-UHFFFAOYSA-N	249.234	-0.683	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)c1ccccc1	1628409024	VHEGIYCJPOUEKC-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
CCC[C@@](C)(O)C(=O)NNC(=O)c1ncon1	1653024556	JJDJGUJQIKZUOU-SECBINFHSA-N	242.235	-0.618	50	10	BBGE	
NC(=O)C1(OC[C@@H]2C[C@H]2Br)CNC1	1877445262	TXNHWLSVJSDEOS-NTSWFWBYSA-N	249.108	-0.386	50	10	BBGE	
NCCSSCCNC(=O)CO	1880849841	XKTFIFDPLQIPPZ-UHFFFAOYSA-N	210.324	-0.565	50	10	BBGE	
CC1(NC(=O)NC(=O)CCl)COC1	1882929950	KHTYJZJQHOBIOI-UHFFFAOYSA-N	206.629	-0.160	50	10	BBGE	
C=C(CN1CC(CSC)C1)B(O)O	1883745289	YSOYGOVSUDLNPD-UHFFFAOYSA-N	201.100	-0.151	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCOC[C@@H]1CO	1893452941	JJUCPPCIRSQCNP-XLPZGREQSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1[C@H](C(=O)NN)C(C)(C)C	1896032038	HWVPUVXZKWAFJT-HRDYMLBCSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CCCC(=O)NN)n1cnc(C#N)n1	1901774193	KXCKYRFJQAFYDW-SSDOTTSWSA-N	222.252	-0.129	50	10	BBGE	
CCCN(CCC)NC(=O)C1(CO)CNC1	1901997143	HOMRAENDYYZIKY-UHFFFAOYSA-N	229.324	-0.279	50	10	BBGE	
CCN(OC)C(=O)c1csc(C)c1B(O)O	1902843739	JOQHYOWTLXLPLW-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
OB(O)c1ccccc1CN1CCO[C@@H]2C[C@@H]21	1907004331	HNLRZBRAIQARBE-NWDGAFQWSA-N	233.076	-0.661	50	10	BBGE	
CN(Cc1cncnc1)C[C@@H]1C[C@H]1C(=O)NN	1907949113	PRMMLPASLQFULM-VHSXEESVSA-N	235.291	-0.466	50	10	BBGE	
CC(C)n1ccn(C[C@@H](C)C(=O)NN)c1=O	1912236746	HHJZUQAJXFZCBJ-MRVPVSSYSA-N	226.280	-0.143	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CCCC2)C1	1915579454	MWXNVGBKLVISKO-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCOCC2)C1	1915589871	KGOUXCKSRHIQAT-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CNC(=O)CCC(=O)NNC(=O)C(F)(F)F	1923408774	UQUNVQGVNOXPRO-UHFFFAOYSA-N	241.169	-0.778	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926418362	AMXHHRXWRBPKFT-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@@H]2C1	1927816329	LMHJTXCDNVOGAO-NKWVEPMBSA-N	219.235	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CO	1927914116	QVMGKMXQYBKHTI-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
Cc1nnc(SCCOCC(=O)NN)o1	1928182176	WQMSCLKCRKHVFE-UHFFFAOYSA-N	232.265	-0.523	50	10	BBGE	
CNCCSCC1(C(=O)NN)CC1	1931266227	CFSSGVSFAAKMBN-UHFFFAOYSA-N	203.311	-0.291	50	10	BBGE	
CC[C@H](COC)CC(=O)NNC(N)=S	1932154546	FZRZFAXKNMDAKA-LURJTMIESA-N	219.310	-0.087	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	1932248710	MFUPYQRWTKPNDY-QCBRBAQYSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCN2CC[C@H]1C2	1936085205	PRWMBPDBIFKATC-GUBZILKMSA-N	224.308	-0.998	50	10	BBGE	
NNC(=O)COCCN1CCO[C@@H](CCF)C1	1941772350	HZTAIXZAMSFRQK-VIFPVBQESA-N	249.286	-0.947	50	10	BBGE	
NC(=O)C(F)(F)CN1[C@H]2CC[C@H]1C(=O)OC2=O	1942147356	GSVUONWXAHCQJN-WHFBIAKZSA-N	248.185	-0.977	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1944298741	OLNANSBTCOMWRQ-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)C2(CC2)C1	1944707405	ACQXHXBCJGOZST-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
CC1([C@@H](N)C(=O)N2CCC(O)(C#N)CC2)CC1	1945004304	WYOXOYLDOLHQFP-VIFPVBQESA-N	237.303	-0.009	50	10	BBGE	
C[C@@H](C(=O)Nc1ccccc1B(O)O)N(C)C	1946128949	HCUUMBZRUBFFIG-QMMMGPOBSA-N	236.080	-0.745	50	10	BBGE	
CCN(CC(N)=O)C[C@@H](O)CBr	1953618723	VSPIQFSDIXGFFQ-LURJTMIESA-N	239.113	-0.451	50	10	BBGE	
OCC1(F)CN(C[C@@H](O)CBr)C1	1953711434	PECWEMOMHGQJHY-LURJTMIESA-N	242.088	-0.242	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCCCl)C[C@H]12	1956251531	HCVSMVZALAZHKM-BQBZGAKWSA-N	216.668	-0.180	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@]12CC2(F)F	1961596821	KVPBSDADCVOXPX-XPUUQOCRSA-N	219.235	-0.047	50	10	BBGE	
O=C(CCC(F)F)N[C@@H](CB(O)O)C(=O)O	1976980643	AGBVMRUJKXGVET-BYPYZUCNSA-N	238.983	-0.926	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CC2(CC2)CO1	1979380438	VIOGTZJXIVXVDV-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CN1C[C@H](C)CC[C@H]1CO)C(=O)NN	1979551691	RHSJKULRHIXDAJ-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CCCN(CC(=O)NN)Cc1cnn(C)c1	1980749815	MMVSPBLCWFHRQK-UHFFFAOYSA-N	225.296	-0.378	50	10	BBGE	
Cc1nc(N(C)[C@@H]2C[C@@H]2C)ccc1B(O)O	1981529356	CMPZCDBRRDXDLS-OIBJUYFYSA-N	220.081	-0.086	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)[C@H]2C[C@H]2C)n1	1981531620	YJXRNDSSESXPBK-XCBNKYQSSA-N	220.081	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)C(C)(F)F	1984261705	KXFNZBRNIJPNLY-RNFRBKRXSA-N	239.266	-0.033	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C(=O)CCCl)C2)N1	1986669483	LMAVHQWKHATHBP-ZETCQYMHSA-N	245.666	-0.718	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12CC[C@@H](CO1)C2	1989935729	KVBIITAMMDPDOL-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3COCC[C@H]32)n1	1989936842	TUYFZPHWMNHGPB-RNFRBKRXSA-N	240.093	-0.952	50	10	BBGE	
O=C(CN1CCNCC1=O)NC[C@H]1C[C@H]1Cl	1991448421	GBZVWUYYBSAUOC-HTQZYQBOSA-N	245.710	-0.838	50	10	BBGE	
N[C@H]1CCN(C(=O)C=CC(=O)Cl)C[C@@H]1CO	1991649639	GBXMZJRKXJLTLO-SFYZADRCSA-N	246.694	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NCC#CB(O)O)C(F)(F)F	1992152741	HYAULDMTMIQXDD-LURJTMIESA-N	236.986	-0.294	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996734737	SKOHYVHNYADLLJ-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1998125650	KKYVNMOXFZVCEH-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)N1CCC1	1998336491	AUAFNVIJUSHKOS-UHFFFAOYSA-N	238.027	-0.257	50	10	BBGE	
CC(C)(CCN1CC([C@@H](F)CO)C1)C(=O)NN	2001909520	HMIUZMRIIRBNFB-VIFPVBQESA-N	247.314	-0.345	50	10	BBGE	
CC[C@H](COC)N(C)c1ccncc1B(O)O	2004912395	SIYRGYBXWCWKOA-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
COCCN(c1ccc(B(O)O)cn1)C(C)C	2004919490	ZOUHSFBXHWNULR-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC[C@@H](COC)Oc1cc(C)c(B(O)O)cn1	2004936237	WTOXYUIWSIADQD-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CCO[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	2006338526	IFCCDJQSPIDYLE-RKDXNWHRSA-N	243.307	-0.360	50	10	BBGE	
CO[C@H]1C[C@@H](CN(C)CC(=O)NN)C[C@H]1OC	2006341050	QYKBSPOHGKOQHE-ILWJIGKKSA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CC[C@H]2C1	2014770439	VVBBQVALQHJQNN-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cnn(C)c1	2019209050	HZNOSHQCSMWIBO-UHFFFAOYSA-N	239.279	-0.981	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(CC(=O)NNC(C)=O)C1	2025494435	ZICSEBRKMJRBPZ-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
Cc1ncc(C(=O)Nc2cc(B(O)O)ccn2)o1	2031812424	MRDLJKIPCLDMTP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(Cc1ccncn1)c1ncccc1B(O)O	2052490898	HGDJCZZCELFOTJ-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H]1N(C)C	2052492957	WWOAKNZLQLNREU-GXSJLCMTSA-N	249.123	-0.852	50	10	BBGE	
OB(O)c1cccnc1-n1nnc2ccccc21	2052608779	MXHQTJAYDRAQDH-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
CCc1c(C=O)ccc(B(O)O)c1OC	2060155089	JZKIAIYPUYBLCD-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
N#Cc1c(C(F)F)ccc(B(O)O)c1C=O	2060225952	OZLUAXIQFCWAFH-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
Cc1cc(C#N)c(B(O)O)c([N+](=O)[O-])c1	2060306424	HYCDEEUHWCSKRA-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
NCCSCc1cccc(B(O)O)c1	2209699373	BWRIPMPUIQHUCJ-UHFFFAOYSA-N	211.095	-0.442	50	10	BBGE	
CN(C[C@@H](F)[C@@H]1CCOC1)C(=O)NN	2209976057	JUXPUMYTGSZSRR-RNFRBKRXSA-N	205.233	-0.124	50	10	BBGE	
C[C@]1(O)CON(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838951	NXOYIMGWLNPRIU-NQMVMOMDSA-N	229.280	-0.999	50	10	BBGE	
C[C@H](CN1C[C@@H](C)N(C)C[C@H]1C)C(=O)NN	2212070604	MRQICMWLVBYZAC-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
Cc1cnc(SCCCCO)cc1B(O)O	2212600936	GKIHBJIRDQQOSF-UHFFFAOYSA-N	241.121	-0.066	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2213354747	JSLALOXLBUXWDO-YOQJGNTNSA-N	241.335	-0.154	50	10	BBGE	
C[C@]1(CCO)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2215773006	RILQSPRQBSLFTH-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CC(C)CN(CCO)C[C@H]1CC[C@H]1C(=O)NN	2215778080	XEWVNLRGFXIOEJ-GHMZBOCLSA-N	243.351	-0.047	50	10	BBGE	
COc1ccc(NC(=O)N(C)C)c(B(O)O)c1	2215804787	HUDBVLHQVQEGMC-UHFFFAOYSA-N	238.052	-0.532	50	10	BBGE	
OB(O)c1cccnc1OCc1ccccn1	2217165479	HYYOWOSUAIGACK-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
CC(C)NCCCOc1ccc(B(O)O)cn1	2217181112	YKBAVPRSPIRSDA-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@H]2CN)cc1B(O)O	2217181961	XNGJWIMDQBHORX-DTWKUNHWSA-N	235.096	-0.923	50	10	BBGE	
C[C@H]1CCN[C@@H]1COc1ccc(B(O)O)cn1	2217185326	VMEKXQVWAWUMEH-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc1	2217195654	MFUBTJDPKAMIOL-FKTZTGRPSA-N	233.080	-0.243	50	10	BBGE	
CCN(C[C@@H](C)C#N)c1ncccc1B(O)O	2217203965	CKWLGSDUIRDTJS-VIFPVBQESA-N	233.080	-0.253	50	10	BBGE	
OB(O)c1ccnc(N2CC(n3ccnc3)C2)c1	2223632621	MHEUZQMQOVYIQH-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3CCC[C@H]32)[nH]c1	2223633832	BTBAFODDIJAROJ-ATZCPNFKSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CCNC23CC3)nc1	2223652128	BTCQETIYYXHHHD-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)s1	2241468249	KBSNKGIIBNXKNT-UHFFFAOYSA-N	211.051	-0.656	50	10	BBGE	
O=C(Nn1cccc1)c1sccc1B(O)O	2243356968	PGZDPYOFCFIPKN-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
CCON(C)C(=O)c1scc(C)c1B(O)O	2243377986	KTKOAYOLLKELON-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
CCOC(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397012	UGUWYADUSCPZOD-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](CC(F)F)C1	2243398998	ISSMZRTYUOOBAO-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
C[C@@H]1CCS[C@H]1CN(C)C(=O)C#CB(O)O	2243399771	QIYLUFBLKVJAMQ-BDAKNGLRSA-N	241.121	-0.398	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CCCCC1	2243409851	PYXMCYKGBCUMQK-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
CC(C)N(C)C(=O)c1ccncc1B(O)O	2243410223	XJOGGGJIDNEVST-UHFFFAOYSA-N	222.053	-0.758	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CCC1)OC	2243410702	GKMTZQHTEFZGRE-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
CN(C[C@H]1CCNC1)C(=O)C1(B(O)O)CC1	2243410744	GZIZAWCIFVNBLH-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
CCCNC(=O)c1ncc(C)cc1B(O)O	2243413274	CSDDYKXGVHQHHC-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CCCC2)s1	2243413519	HXKRBTVGKLKBAU-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426628	JGYFUEGLFQZLBJ-GHCJXIJMSA-N	227.069	-0.731	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)[C@H]1CCCN1	2244504080	GGSQFZDJDQSFKO-XSPKLOCKSA-N	226.085	-0.894	50	10	BBGE	
C[C@H]1[C@H](C(=O)NCCC#CB(O)O)C1(F)F	2244547029	UWLDJNIIEDJCIA-NKWVEPMBSA-N	231.007	-0.591	50	10	BBGE	
C=C[C@H](C)CCNS(=O)(=O)CC(=C)B(O)O	2245057584	GMIDZNQFNWUYSG-QMMMGPOBSA-N	247.125	-0.314	50	10	BBGE	
C[C@H](CN(C)Cc1ccnnc1)C(=O)NN	2245395637	ZBDFFWURERXVCD-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
C[C@@H]1NC[C@H]1Oc1cc(B(O)O)c(Cl)cn1	2245912945	JUZQJIFCRPAYAT-YLWLKBPMSA-N	242.471	-0.846	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1coc(B(O)O)c1	2247735092	KDGJOEVMKGXQPM-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]1C1CC1	2247740287	ILUADAFVHPKQSG-QMMMGPOBSA-N	235.048	-0.416	50	10	BBGE	
CC(F)(F)CCNC(=O)c1occc1B(O)O	2247751163	UGHICIQPOJGZOJ-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1cccc(F)c1B(O)O	2247752898	XPXKPOMPYXUVDZ-YUMQZZPRSA-N	241.002	-0.654	50	10	BBGE	
O=C(Nc1nccc(O)n1)C1(B(O)O)CCC1	2247759203	ZRUUAGWUZLIQOP-UHFFFAOYSA-N	237.024	-0.482	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247775715	OZNWLVAAKJKBDM-XVKPBYJWSA-N	234.064	-0.710	50	10	BBGE	
CCC[C@@H](C)N(C)C(=O)c1n[nH]cc1B(O)O	2247783030	ZWXFUGDPWSLZOL-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247787833	VORKZILCDMGWSH-DTORHVGOSA-N	241.096	-0.218	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC12CCNCC2	2247789780	BGXWJLBMTGYMJD-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247796571	AVQFIUHHBJUAKV-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
CC(C)[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247798125	QIJYZPIGNRTTRK-KXUCPTDWSA-N	241.096	-0.267	50	10	BBGE	
COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C	2247799670	GSIRGPLKPLRSPU-RGOKHQFPSA-N	241.096	-0.410	50	10	BBGE	
O=C(NCCC1CCOCC1)[C@@H]1C[C@H]1B(O)O	2247803481	BKBSNAYYXWYVSX-NXEZZACHSA-N	241.096	-0.218	50	10	BBGE	
NCCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCCC1	2247809270	OMIMHJXGRZELDD-NXEZZACHSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1C	2247809314	OXCPGTSYUUZHDR-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CC(C)(O)C(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810082	UNQZCVIFNVQAMC-ZKCHVHJHSA-N	243.112	-0.095	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1F	2247853028	FKARVCYCSZEQLZ-JGVFFNPUSA-N	245.059	-0.421	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1(B(O)O)CCC1	2247877436	AUJZVLGAVXMRRY-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1occc1B(O)O	2247878521	LBCSJFWWQMONDH-QMMMGPOBSA-N	235.048	-0.368	50	10	BBGE	
NCC[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247878930	QIXXOWFNOSAMOO-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C(=O)C2CC(B(O)O)C2)C1	2247891451	JBEFLCMEGDDKFT-SEZDTBSWSA-N	241.096	-0.531	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](CCO)C1	2247892690	GCDHDEQFQCNTSW-XNWIYYODSA-N	241.096	-0.530	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)CO	2247893920	AIWXTYKXNHMHMW-KYZUINATSA-N	243.112	-0.141	50	10	BBGE	
COC(OC)[C@H](C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247894426	GSNJMPLFFDRLPI-BIIVOSGPSA-N	245.084	-0.685	50	10	BBGE	
O=C(NCC12CCN(CC1)C2)[C@H]1C[C@@H]1B(O)O	2247895449	SPNIHAUAYZZKMM-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247896609	HWEDUJZQXVQLAP-KYXWUPHJSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@H](CCO)C1	2247898607	GCDHDEQFQCNTSW-GUBZILKMSA-N	241.096	-0.530	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2247900261	VJDCMDNDCCCSMA-LPEHRKFASA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCNCCC1	2247902004	BPPMQPGYIBKUAH-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1ccccc1B(O)O	2247947395	VJTDEUWTEQGHCR-QMMMGPOBSA-N	232.048	-0.490	50	10	BBGE	
C#CCC(=O)N(C)Cc1cccc(B(O)O)c1	2248416725	YDAXYAXRRNJQOJ-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)C1CC(B(O)O)C1	2248580465	YNXPOEVYRCBAFH-CQRKAFIDSA-N	241.052	-0.687	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C(C)C	2249424663	WEKNQXLTJUOUOL-SNVBAGLBSA-N	235.048	-0.653	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1COC2(COC2)C1	2249633646	AGHQWQNPRBMMML-IUCAKERBSA-N	243.307	-0.755	50	10	BBGE	
CN1CC[C@](C)(COC[C@H]2C[C@@H]2C(=O)NN)C1	2253318596	DSNBOJGKFSXJNZ-SCVCMEIPSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@H]1c2cccn2CCN1C(=O)C#CB(O)O	2255466767	DJWRKPDGZMOOCO-SNVBAGLBSA-N	246.075	-0.203	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2ccc(B(O)O)o2)C1	2255467190	JOCIQNFWRHFBKE-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
Cc1cc(C(=O)N2CCOCC2)ccc1B(O)O	2255509014	GDMCRPJTXXXSFO-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC[C@@H]2C[C@@H]21	2255671129	MZBHDOVILFDYPW-POZPLHJXSA-N	248.091	-0.435	50	10	BBGE	
O=C(C#CB(O)O)N1CCC2(CCC2)CCC1=O	2255680962	PAARKPYKLKJUAZ-UHFFFAOYSA-N	249.075	-0.289	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1[C@H]2CCC[C@@H]1C2	2255716622	DUPDUVOHGXHUIC-DTORHVGOSA-N	246.075	-0.472	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CCC[C@H]21	2255717964	RTPXGLKERQJBOY-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@H]21	2255719006	CKBACHFSBLNQBU-SZEHBUNVSA-N	249.075	-0.204	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1occc1B(O)O	2255737581	GSZLKDBFDZZEBJ-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cc1ncnc(C)c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2255775086	UULVNGWQRWTRRN-WPRPVWTQSA-N	249.079	-0.427	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1ncc(B(O)O)cc1C	2257493362	BLOKJJFGIYCKAU-JTQLQIEISA-N	248.091	-0.306	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCC[C@H]1CC2	2260686325	SLMKQGBCSFWXAC-CABZTGNLSA-N	248.091	-0.497	50	10	BBGE	
CCC(CC)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298369758	DPXJMDRMZQKFLJ-BBBLOLIVSA-N	243.112	-0.237	50	10	BBGE	
C=C(CN1CCC2(CCN(C)CC2)C1)B(O)O	2299224711	SHNHASLPNSBSOF-UHFFFAOYSA-N	238.140	-0.028	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2299249779	PNWQTTMVRCBOTA-XKNYDFJKSA-N	239.080	-0.613	50	10	BBGE	
C[C@@H](COC[C@H]1OCCOC1(C)C)C(=O)NN	2301612832	ABRVYYHVCGGBQA-DTWKUNHWSA-N	246.307	-0.177	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	2302023121	NDNOESVCLBMHFQ-UMNHJUIQSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@](C)(CN1CCO[C@@H](C#N)C1)C(=O)NN	2303409697	FVNAQKBFRKVOTD-ONGXEEELSA-N	240.307	-0.383	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1cc(B(O)O)co1	2313081555	MSXCZTXLWIJVFM-XKSSXDPKSA-N	247.059	-0.346	50	10	BBGE	
O=Cc1ccc(N[C@@]23COC[C@@H]2C3)cc1B(O)O	2317309151	QCZISVZGTYOFEM-CABZTGNLSA-N	247.059	-0.620	50	10	BBGE	
O=Cc1ccc(N2CCC(O)CC2)cc1B(O)O	2317352292	WZAAUGKQVUKZGA-UHFFFAOYSA-N	249.075	-0.860	50	10	BBGE	
COCCN(C)[C@@H](C(=O)NN)C(C)C	82470599	KAKUNWIHJZLDQR-MRVPVSSYSA-N	203.286	-0.421	50	10	BBGE	
COC(=O)CS[C@H](C)[C@H](C)C(=O)NN	86313974	OUSAPWTZBGQJKV-NTSWFWBYSA-N	220.294	-0.093	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)CC(C)(C)O	92983875	ALVLSUOPZGGRID-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
CCN(CC(=O)N(C)C)CC(C)(C)C(=O)NN	93728035	COWLSUWRFCHYHC-UHFFFAOYSA-N	244.339	-0.587	50	10	BBGE	
NNC(=O)c1cc(Cn2ccc(=O)cc2)on1	110601618	KGJJRLGIIAVWFT-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCS(=O)(=O)CC1	132751342	FMXGHPBVAOGWLO-ZCFIWIBFSA-N	241.696	-0.591	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCCC[C@@H]1O	167006356	SMQOUZBHUPUOOZ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
O=C=NCNC(=O)N1CCc2[nH]nc(O)c2C1	170294187	ZCRCWZKLSFHUID-UHFFFAOYSA-N	237.219	-0.524	50	10	BBGE	
O=c1ccccn1Cc1ccccc1B(O)O	199003693	NJOMUGJCJUHJCR-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
COc1ccc(Cn2cc(C)cn2)cc1B(O)O	199012958	GEETXVCUWXPDDX-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CCOC2)c1	203524218	DSUYLMOZLDTHNM-QMMMGPOBSA-N	223.037	-0.823	50	10	BBGE	
NNC(=O)C[C@H]1CCCCCS1(=O)=O	215804747	MXCQFJIMGOGSAY-SSDOTTSWSA-N	220.294	-0.276	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(N)=O)[C@@H]1C	226768729	GJMPHNLGQNDDPL-UCROKIRRSA-N	215.253	-0.255	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(C(=O)NC)C1	230921047	BGAMNRYKVDQYGN-LDYMZIIASA-N	242.323	-0.787	50	10	BBGE	
C[C@H](CO)NS(=O)(=O)CCCl	232299004	GQKAEEDPAQQNMC-RXMQYKEDSA-N	201.675	-0.475	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCSC1	232419141	XBDCPGAHNPBXSW-HTQZYQBOSA-N	233.337	-0.571	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cnn(C)c1	234567507	USSRXSKYCSHFQC-SSDOTTSWSA-N	245.666	-0.070	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1cc(C#N)ccn1	287741169	ORCAONNCATZCNZ-UHFFFAOYSA-N	247.258	-0.724	50	10	BBGE	
CN(CCCO)Cc1csc(C(=O)NN)n1	300781852	FYAGTSYQKDAEGP-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2O[C@@H]3[C@H]1C(=O)O[C@@H]3[C@@H]2Cl	306772427	SIIMPOCAYCQRBK-PGLFHQKZSA-N	218.592	-0.383	50	10	BBGE	
Nc1cc(O)c2sccc2c1B(O)O	307233689	QPWJYSQSDOOCSG-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(CC)CC1	307862101	JREUHRWKMSKLEH-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CCN1CCCN([C@@H](C)C(=O)NN)CC1	307870709	PSKYYUYWBISKMK-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
OB(O)c1ccccc1[C@H]1CNCCO1	308802680	MQJPSXDTQKOWRN-SNVBAGLBSA-N	207.038	-0.973	50	10	BBGE	
CN1CC[C@@]2(CCN(CC(=O)NN)C2)C1	308878347	DLUYLQWRYAUPJR-SNVBAGLBSA-N	212.297	-0.996	50	10	BBGE	
COc1ccnc2cc(B(O)O)ccc12	309000835	YZHFTARIXSVUKV-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@](C)(CN)C1	309394081	FXGBTMNBKIHZKI-ONGXEEELSA-N	228.340	-0.328	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@](O)(CO)C1	313680129	HPLCCCNFDBDNEY-IONNQARKSA-N	221.684	-0.183	50	10	BBGE	
C[C@@H]1O[C@H](CN(C)C)CC1=NNC(N)=O	379714205	JTMUOEXHTKFACI-BQBZGAKWSA-N	214.269	-0.250	50	10	BBGE	
C[C@@H]1OCCN(Cc2ccccc2B(O)O)[C@@H]1C	380296086	HFYHXYZMBAEPHY-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
CN=c1cc(C(=O)NNC(=O)NC)cc[nH]1	381305354	JRUGMPUFPOCALO-UHFFFAOYSA-N	223.236	-0.881	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1[C@@H](C(=O)NN)C(C)(C)C	384777905	HSVSLBAIJUKNCG-VGMNWLOBSA-N	229.324	-0.154	50	10	BBGE	
O=CCCc1ccc(C(=O)O)cc1B(O)O	396133177	PLSKDBRTULKZQB-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)cc1	585001696	YXHIULWXPINDOO-JTQLQIEISA-N	231.060	-0.351	50	10	BBGE	
CCC[C@H]1COC[C@H]1N(C)CC(=O)NN	688158536	GLPACEPGXGMBKU-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](C)CO	688393692	AKZJUAPYLISEIB-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(=O)N(C)CC1	688935155	VVEGHABYKMSWOB-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
CN(C)C[C@@H](O)CN(C)S(=O)(=O)CCl	690248324	BHWFOFQETAXUKW-SSDOTTSWSA-N	244.744	-0.633	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC2CNC2)CC1	692113060	HONATRVZHFKMGS-UHFFFAOYSA-N	223.276	-0.527	50	10	BBGE	
CCN(CCCC(=O)NN)C[C@@H](C)O	692162234	YPXGYRWZJFVJHI-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)C[C@@H](C)O	692162260	YVWFBAZMMUKKON-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
C[C@@H](CN(C)C(=O)C(=O)NN)C1CCC1	700944765	OXDROOWTZZOMBA-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
CCCc1noc(CCC(=O)NCB(O)O)n1	701932556	QMCCRVVZLRVISG-UHFFFAOYSA-N	241.056	-0.917	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	704681657	PHWNKNCGSAECEK-SECBINFHSA-N	225.292	-0.033	50	10	BBGE	
CNNC(=O)CNC(=O)c1ccccc1	704690698	HULYSNVYCCDXSQ-UHFFFAOYSA-N	207.233	-0.333	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CSC)C1	706629970	BTAWMDWEJGADLQ-DTWKUNHWSA-N	247.364	-0.324	50	10	BBGE	
NS(=O)(=O)[C@@H]1CCN(C(=O)OCCl)C1	707499130	NPNVDKFTPKPPCG-RXMQYKEDSA-N	242.684	-0.318	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](C)CO	708460496	PWJGUFFBUZQDQO-HTQZYQBOSA-N	203.286	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C(O)[C@@H](C)C1	710858661	YEWWCCCLJOGLAM-YUMQZZPRSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1cnc(B(O)O)s1	718876366	NTIRTWZDJJFSMC-IYSWYEEDSA-N	240.093	-0.905	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CCCC(=O)NN)C2	723698308	YCELZKKRWMCJSY-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
C=CCCOCC(=O)NNC(=O)c1cnn[nH]1	729457727	VQLRMHZHNVKHGA-UHFFFAOYSA-N	239.235	-0.842	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@]1(C)CCC(=O)NC1	910150052	LXFBDWAQOUZRKS-KCJUWKMLSA-N	243.307	-0.754	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1OCCO[C@@H]1C	929288038	OQCHQCKXQJQYAV-HTQZYQBOSA-N	230.264	-0.406	50	10	BBGE	
CO[C@@H](C)C(=O)NNc1cc(C)nc(N)n1	1175008908	XLUHZAJCTUUNRV-LURJTMIESA-N	225.252	-0.155	50	10	BBGE	
Cn1nccc1NC(=O)c1cccc(B(O)O)c1	1292360963	VUDCXBGQZPEVQV-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNc1nnc(C)n1C	1330223369	FKLYXSUESXBDNL-UHFFFAOYSA-N	235.251	-0.088	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc2nccn2c1	1630971985	COPHQSZFPMIOPZ-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
CC(C)(O)CC(=O)NNC(=O)[C@H]1CCCCO1	1637662799	INRNHJMCGZLUSR-MRVPVSSYSA-N	244.291	-0.136	50	10	BBGE	
O=C(CCCl)NCCN1CC[C@H](O)C1	1866011251	BNABDOSHGCPBKB-QMMMGPOBSA-N	220.700	-0.202	50	10	BBGE	
O=C(Nc1nn[nH]n1)[C@@H]1C[C@H]1Br	1877335005	WRQUFKIAUHIQAX-PWNYCUMCSA-N	232.041	-0.078	50	10	BBGE	
CS(=O)(=O)CCNCC#CCCl	1880675433	LAXQOMDXEDNKGT-UHFFFAOYSA-N	209.698	-0.137	50	10	BBGE	
CO[C@@H]1CN(C[C@H](Cl)C#N)C[C@H]1N	1882163654	ZATHCSUAPRPJLA-BWZBUEFSSA-N	203.673	-0.225	50	10	BBGE	
NCCCONC(=O)/C=C/C(=O)Cl	1883647436	MJHHYMZWZXZRAU-NSCUHMNNSA-N	206.629	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]1CF	1886121893	HKEXHQWCIYTMKY-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
NC(=S)NNC(=O)C12CC(CCO1)C2	1892829016	QSFGTELFBWWACW-UHFFFAOYSA-N	215.278	-0.580	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](CO)[C@H](CO)C1	1897227469	RLWPJRARSZBESC-HIQWKFPQSA-N	247.678	-0.633	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cnsc1B(O)O	1900466504	HDNJQBANIZRVPA-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CC1(C)C[C@H]1OCCOCC(=O)NN	1900688328	YORSFDGNFGCEPO-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
O=S1(=O)CCC[C@@H]1CN1CC[C@H](B(O)O)C1	1902513013	OVLDCKIUQODKPU-DTWKUNHWSA-N	247.125	-0.888	50	10	BBGE	
CC[C@](C)(CN1CC[C@]1(C)CO)C(=O)NN	1902715403	HAZPHKLMKGGKOU-GHMZBOCLSA-N	229.324	-0.151	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CO[C@H]2C[C@@H]1C2	1908622037	QPUVMFYZMXAHCB-FBDQPXRJSA-N	239.319	-0.278	50	10	BBGE	
CC[S@](C)(=O)=NCC1(C(=O)NN)CC1	1913893210	GQMUVHCGLYUWSW-AWEZNQCLSA-N	219.310	-0.126	50	10	BBGE	
COC1CC(N(C)[C@@H](C)CC(=O)NN)C1	1914813858	LDYVJTIUKFCVJC-UEJVZZJDSA-N	215.297	-0.136	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)C[C@@H]1C#N	1914857147	KJXKGJMFJOIHII-DTWKUNHWSA-N	217.700	-0.274	50	10	BBGE	
O=C1NCCC[C@@H]1NNC(=O)C(F)(F)F	1923407762	GLKYPBXUSPNROV-BYPYZUCNSA-N	225.170	-0.552	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923442188	QTUHBYGXWRKAMY-LURJTMIESA-N	226.154	-0.367	50	10	BBGE	
COC[C@@](C)(CO)CNC(=O)CCl	1926985843	SLCVMBQLJZBTLR-MRVPVSSYSA-N	209.673	-0.014	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C(=O)N1C	1927868995	ONFKKTVGPXCBML-SSDOTTSWSA-N	214.269	-0.488	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2CC[C@H]2C1	1927914472	UZFIDIVEAZPQQV-JXUBOQSCSA-N	209.293	-0.046	50	10	BBGE	
C[C@H](CCl)CN1CCOC[C@H]1[C@H](O)CO	1928574115	RXTCNVTXUJTBLB-KXUCPTDWSA-N	237.727	-0.085	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCS(=O)(=O)CCO1	1928683371	LJLLMCPTOFPZMJ-ZCFIWIBFSA-N	241.696	-0.198	50	10	BBGE	
CO[C@@H](CNC(=O)NN)C1CCOCC1	1930525303	FLIQTHLNISDICA-QMMMGPOBSA-N	217.269	-0.399	50	10	BBGE	
CC1(C)[C@H](C(=O)NNC(N)=O)C1(F)F	1933039613	VLRFSBMDBPMNSM-VKHMYHEASA-N	207.180	-0.023	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936088357	MMPIUSLYPLTFJI-VHSXEESVSA-N	226.324	-0.750	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)O1	1936095172	UPTVJCNSEORBNH-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC(O)C2)C1	1937042392	PHVLQNMPGITEKZ-YUMQZZPRSA-N	227.308	-0.542	50	10	BBGE	
COC[C@](C)(CCl)NC(=O)Cn1cnnn1	1937160071	QFFUJJHOGKKBSC-QMMMGPOBSA-N	247.686	-0.567	50	10	BBGE	
O[C@H](CCl)CN1CC23COCC2(COC3)C1	1937761521	YHJUSERPJYTGPG-KPPDAEKUSA-N	247.722	-0.065	50	10	BBGE	
C[C@]1(C#N)CCN(CC2(C(=O)NN)CC2)C1	1938249212	REBWHNCBEOLQHP-SNVBAGLBSA-N	222.292	-0.008	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@@H]2COC[C@@H]21	1941087800	NTISREZUAVWGJQ-RCWTZXSCSA-N	239.319	-0.277	50	10	BBGE	
COc1ccc(CN(C)CCC(=O)NN)cn1	1950960642	XHAOUIFFKGMOEF-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@H](B(O)O)C2)CCCO1	1951321866	KJSJROMJENENRO-WCBMZHEXSA-N	227.069	-0.369	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cnc2cnccn12	1953026422	NDAJJPAFJHQURL-APPZFPTMSA-N	203.205	-0.386	50	10	BBGE	
CCn1nnnc1CNC(=O)CCl	1953971726	FTLKXMQAOBFVPL-UHFFFAOYSA-N	203.633	-0.452	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1C[C@@H](O)C[C@H]1O	1956248623	OXTXWMAQYCVURY-WCTZXXKLSA-N	221.684	-0.138	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]1CN(C)C	1958805370	RHDSPJUUZVGLKX-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CCN(C(=O)CCCl)[C@@H]1CC(=O)NC1=O	1961459717	DJUJFNIDNQAKIH-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
CC1(C)CN(c2ccncc2B(O)O)C1	1961693855	FKJHJBLMOKGBOA-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
CCCc1cnc(CNC(=O)C(=O)NN)o1	1976808997	SSGVATAFDPGIQZ-UHFFFAOYSA-N	226.236	-0.767	50	10	BBGE	
COC1(CN(C)C[C@H]2C[C@@H]2C(=O)NN)CC1	1979960911	LZCJBGPJZQMADP-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2CN(C)CC[C@H]21	1980965169	TWJNZTLLOQURLB-OPRDCNLKSA-N	226.324	-0.609	50	10	BBGE	
CN(C[C@H]1C[C@@]12CC2(F)F)C(=O)C(=O)NN	1981256769	NSXPDVSOVACJFH-SVGQVSJJSA-N	233.218	-0.520	50	10	BBGE	
CCOCCOc1ncc(B(O)O)cc1Cl	1981420508	MCJAQVHBARYODC-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
OB(O)c1csc(OCCOCC2CC2)n1	1981423795	JENOSIOITBZRCV-UHFFFAOYSA-N	243.093	-0.372	50	10	BBGE	
CC[C@H]1CCN(c2ccncc2B(O)O)C1	1981425387	FXTFBIGJKFJOJA-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
C[C@@H]1OCC[C@H]1Sc1ncncc1B(O)O	1981454201	FRCBVOLXUDRINB-POYBYMJQSA-N	240.093	-0.574	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C[C@@H](Cl)C#N	1982213087	AGYIVBZVISZRBQ-VIFPVBQESA-N	244.726	-0.519	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1C[C@@H](C)C(=O)NN	1985717359	YPYWUXZCTAPBKD-UTLUCORTSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CN1CC2(C1)CC(C)(O)C2)C(=O)NN	1986120739	KFQCYFKOIKATBX-MRVPVSSYSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1ccc(B(O)O)cn1	1996647239	JVCNTOJXBGXYOL-MRVPVSSYSA-N	236.080	-0.008	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(CCF)C2)O1	1996954470	ZFXQIOMXQLLYSR-VHSXEESVSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)c1ncccc1B(O)O	2004935147	KTISIHWPHUGPLQ-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(-n2cnc(C)c2C)ncc1B(O)O	2004990078	DHWUEJXXZHGSAP-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC=CCC1	2008840718	QDEUHMVJKMYKMI-JTQLQIEISA-N	233.076	-0.116	50	10	BBGE	
N#C[C@@H]1CN(CCC(F)(F)C(=O)NN)CCO1	2008873044	IQFLIGLAQHIVAH-SSDOTTSWSA-N	248.233	-0.774	50	10	BBGE	
OB(O)c1ccc(OCCn2ccnc2)nc1	2012465917	UKAPUDDHVDMFHN-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cccc(B(O)O)c2)[C@@H]1C	2022196791	RULOLWKIDRKKNQ-AKZRSSKFSA-N	233.076	-0.249	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1ccoc1C(=O)NN	2023141093	HGBHZANAJLQXGX-MRVPVSSYSA-N	239.275	-0.162	50	10	BBGE	
OB(O)c1cccc(F)c1OCc1cccnn1	2029100351	QEOFTNCRVZRQRU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCOC(=O)NC(=O)C(C#N)=CNC#N	2040739422	FJTBSMOCJGYWSU-UHFFFAOYSA-N	208.177	-0.263	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1C[C@@H]2C[C@H]2C1	2040767179	OAZLHQYNDNIWGT-BQBZGAKWSA-N	247.063	-0.859	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1c1ccc(B(O)O)cn1	2052472234	KROFLBSLOJOCIU-GXSJLCMTSA-N	249.123	-0.710	50	10	BBGE	
CCN1CCN(c2ncccc2B(O)O)C[C@@H]1C	2052491675	MMMVKVPCZJCCCZ-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H]2COC[C@@H]21	2052493105	BBGHICXFMRAEIR-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC1=CCCC1	2055732210	UZNSVKBKOKWCTH-UHFFFAOYSA-N	244.063	-0.384	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@]12CC[C@@H](CO1)C2	2073085211	ROWHSRPGPDFCND-SKDRFNHKSA-N	249.075	-0.903	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1COC(F)F	2211684720	GYYQGTSCDHULQR-YFKPBYRVSA-N	237.206	-0.794	50	10	BBGE	
C[C@H](CN1CC[C@@H](OC(F)F)C1)C(=O)NN	2212386193	RUYAVBMXIALOLR-RNFRBKRXSA-N	237.250	-0.074	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)ccn2)c(C)n1	2212597007	YDKZWKHJJJATGQ-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@H]1C[C@@H]1CCN=c1cc(B(O)O)cc[nH]1	2212610303	GOPBJRVBBUGWOJ-IUCAKERBSA-N	220.081	-0.359	50	10	BBGE	
N#Cc1ncccc1OC[C@@H]1C[C@H]1C(=O)NN	2214887310	UVUPHPDTCAFUGR-JGVFFNPUSA-N	232.243	-0.042	50	10	BBGE	
CC[C@](C)(CNc1ccc(B(O)O)cn1)OC	2217171754	DSEXZAJBCROVJV-LLVKDONJSA-N	238.096	-0.012	50	10	BBGE	
COC12CC(C1)N(c1cc(B(O)O)ccn1)C2	2217175407	ILEDQQVVTNXQRG-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
Cc1cnc(NC2([C@@H](C)O)CC2)cc1B(O)O	2217179870	CHLSZOKBDQEMMC-MRVPVSSYSA-N	236.080	-0.605	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Oc1cc(B(O)O)ccn1	2217195425	KAIDKFBTDGSRGJ-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
CC(C)CN(CCN)c1ccc(B(O)O)cn1	2217198093	WLXPQYAIHFUAOJ-UHFFFAOYSA-N	237.112	-0.818	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2217200029	QINRYSQEIJYXSV-VHSXEESVSA-N	235.096	-0.734	50	10	BBGE	
Nc1ncccc1Nc1ncccc1B(O)O	2217201397	DPFHHWOUXCVPKE-UHFFFAOYSA-N	230.036	-0.518	50	10	BBGE	
C[C@@H](CCCO)CNc1cc(B(O)O)ccn1	2217204514	KUFDMHKHXVDATJ-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@H]2C)cc1B(O)O	2223640166	JMEWTWQKJDJTEV-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ccnnc1CNc1ccc(B(O)O)cn1	2223647742	ZZPRQGSJZRLYRM-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CC1(CNc2ncccc2B(O)O)CCNCC1	2223673843	MDIUZITVTYIVSS-UHFFFAOYSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]3CC[C@H]2O3)[nH]c1	2223675154	UOFZBMGYERJIQH-FBIMIBRVSA-N	248.091	-0.837	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1Nc1ncccc1B(O)O	2223675289	VBJBICHLYBQJPG-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)N1C	2223676137	WSHXNJHNIXOEGL-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
COc1ccc(Nc2ncc(B(O)O)cn2)cn1	2223679246	MYEXXYMQTPYMPW-UHFFFAOYSA-N	246.035	-0.696	50	10	BBGE	
N#CCCNS(=O)(=O)N1CC(Cl)C1	2241353040	AZZHAKXBKCSLQZ-UHFFFAOYSA-N	223.685	-0.343	50	10	BBGE	
CN(C[C@@H]1CCCSC1)C(=O)C#CB(O)O	2243350330	ZJVKSSMIWCLOKR-VIFPVBQESA-N	241.121	-0.397	50	10	BBGE	
COCCNC(=O)c1cc(B(O)O)sc1C	2243385778	OFCLNZRPYAFLJP-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1O)C1(B(O)O)CC1	2243398291	OCNNZEJOACMHFG-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccsc1B(O)O	2243408039	FVJWNMONCFBEHU-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
CCN(O)C(=O)c1ccc(F)cc1B(O)O	2243412891	VTJPBHUQWGKLLT-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CCCCC1	2243414432	ARNDKIMXXYRBAK-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
CC(C)(CC#N)CNC(=O)[C@H]1C[C@H]1B(O)O	2243427245	SGYHDBXIKNSEMZ-JGVFFNPUSA-N	224.069	-0.095	50	10	BBGE	
O=C(NCc1ccno1)[C@H]1C[C@@H](B(O)O)C1	2243427332	TZFSYVBNLYXGIP-KNVOCYPGSA-N	224.025	-0.456	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)co1	2244212625	SPYSJDIKRJIQEY-MRVPVSSYSA-N	221.021	-0.592	50	10	BBGE	
C[C@@H](CN1C[C@@H]2C[C@H](C1)[C@]2(C)O)C(=O)NN	2244310025	CFIWOJVCAIIJJG-WYOJIJJFSA-N	227.308	-0.685	50	10	BBGE	
Nc1ccccc1C(=O)NCC#CB(O)O	2244498510	RIUMPQSXVBZZPP-UHFFFAOYSA-N	218.021	-0.986	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccoc1B(O)O	2245941600	OJXTZCYILFHEBQ-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccoc1B(O)O	2247739785	BKMGABLUTZWITA-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
O=C(C#CB(O)O)N1CC2(CCC2)C12CCC2	2247743614	GROZWQDOEMOOKI-UHFFFAOYSA-N	233.076	-0.063	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ccc(B(O)O)o1	2247743871	KUFSYHSDGDAEPB-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CN)CCCC1	2247750311	HGOYPUSIRDPHJV-UHFFFAOYSA-N	240.112	-0.277	50	10	BBGE	
CCCONC(=O)c1ccc(B(O)O)cc1F	2247751694	AQATWOILEAWHQE-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2247752152	JRSALGPTHSZTFE-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCCC#N)c1	2247752182	KILNTPNLXRGARO-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
CC1(C)CCCN1C(=O)c1cc(B(O)O)n[nH]1	2247783311	CNYFTNPISTVHNK-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791222	LVVLUWNILUYVGS-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
C#C[C@@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247799606	FXAYTHORZWWZAG-OPRDCNLKSA-N	237.064	-0.900	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@@H]21)C1CC(B(O)O)C1	2247806456	NFQQXOOUCLVSLG-ANQZYXBKSA-N	238.096	-0.894	50	10	BBGE	
NC1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247807335	QORRUIYDSAZDIN-XSPKLOCKSA-N	238.096	-0.955	50	10	BBGE	
CN(Cc1cn(C)cn1)C(=O)[C@@H]1C[C@H]1B(O)O	2247809619	QEIWQAJWABRLFH-RKDXNWHRSA-N	237.068	-0.759	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850044	JBCSPULFPIUZKD-CBAPKCEASA-N	236.080	-0.387	50	10	BBGE	
CN(C[C@H]1C[C@H]2CC[C@H]1O2)C(=O)C#CB(O)O	2247851166	DHYRCVSIRQNQHW-OPRDCNLKSA-N	237.064	-0.972	50	10	BBGE	
CCC1CN(C(=O)c2ccc(B(O)O)cn2)C1	2247851426	FWXMISJVXYQSAZ-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCO[C@H](CF)C1	2247855881	ZNKANBXTUDTECN-HRDYMLBCSA-N	245.059	-0.564	50	10	BBGE	
C[C@H]1CNC[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247873446	JQGRFDDTLITAQP-BDAKNGLRSA-N	240.112	-0.645	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@H](N)C1	2247875463	YYBXSSJLLBVRTM-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
CC(C)CCN(C)C(=O)c1n[nH]cc1B(O)O	2247885026	DKSISZFUIBDSFH-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
NC[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887403	NRIIVWIYYQUVGW-KATARQTJSA-N	240.112	-0.517	50	10	BBGE	
CCC(O)(CC)CNC(=O)C1CC(B(O)O)C1	2247892654	FKENHTVSHKFNQS-UHFFFAOYSA-N	243.112	-0.093	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC([C@@H](F)CO)C1	2247896315	YHABNFLYZBKECY-XVYDVKMFSA-N	245.059	-0.972	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247902865	HXSYSEFCIBDVDE-KXUCPTDWSA-N	242.128	-0.304	50	10	BBGE	
CCON(C)C(=O)Nc1ccccc1B(O)O	2247949554	LGPNJGPUUHNROV-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
C#CCC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	2248396474	ZQXRJFSXRFJUGN-VIFPVBQESA-N	231.060	-0.433	50	10	BBGE	
CC1(NC(=O)c2cocc2B(O)O)CC(F)C1	2249409293	UXQVAOPDUIIYFW-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
COC1CC(CC(=O)NCCC#CB(O)O)C1	2250005608	ZZHWEJSOENCWIM-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCCC[C@H]1C(=O)O	2251311944	ZSYDIIUABWBRKM-JGVFFNPUSA-N	243.068	-0.604	50	10	BBGE	
CC#CCOC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2251794441	FGBXANDCPUOOQG-RYUDHWBXSA-N	238.287	-0.045	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)c(OC)c1	2255471927	AJMNSBCQELRFJR-UHFFFAOYSA-N	249.031	-0.342	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1c[nH]nc1B(O)O	2255555107	WKMMLBRDMYQYBO-ACLDMZEESA-N	249.079	-0.992	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C1(C)CCC1	2255718237	WPGWPNAMPKFRSH-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1cc(B(O)O)cn1C	2255735313	RAZMZCNFRUOFQZ-UHFFFAOYSA-N	248.091	-0.906	50	10	BBGE	
O=C(N1CCn2ccnc2C1)C1(B(O)O)CCC1	2255737852	KHIFOGROCHKBLY-UHFFFAOYSA-N	249.079	-0.378	50	10	BBGE	
CCn1ccnc1NC(=O)c1cocc1B(O)O	2258127292	ITEXXHLTSPQQGB-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1cocc1B(O)O	2258128914	RKPKAPWNNDZQNP-PRHODGIISA-N	249.075	-0.121	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)oc2C)CCC1	2259900607	NNYUCODHWZDDRH-UHFFFAOYSA-N	247.059	-0.446	50	10	BBGE	
NNC(=O)C=C1Oc2ccccc2NC1=O	2297672448	NHHOSGDAECRXDO-UHFFFAOYSA-N	219.200	-0.109	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369073	IBTMRZNKGHFRSW-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2298376995	AOSVZGKKIQHMKY-LURQLKTLSA-N	239.080	-0.731	50	10	BBGE	
O=C(Nc1cccnc1)c1cnsc1B(O)O	2300340100	NUYPMALDXKQAGA-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](C)Nc1ccc(B(O)O)cc1C#N	2301339476	UAOKUUCHTLRXJV-QMMMGPOBSA-N	234.064	-0.315	50	10	BBGE	
O=Cc1ccc(NC2CC(O)C2)cc1B(O)O	2301452500	IIQLGBWWHJNVMK-UHFFFAOYSA-N	235.048	-0.886	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2OC	2302212271	XIDOSACFIQKWIG-AATLWQCWSA-N	243.307	-0.900	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2cc(B(O)O)c(F)cn2)C1	2303861728	SJDGHSABKAYZNW-NKWVEPMBSA-N	240.043	-0.841	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2309543813	GCGKRHQZQGSAIU-IELRGYKMSA-N	244.103	-0.086	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1Nc1ncccc1B(O)O	2321009715	UTQOFGXMIBFWHE-ONGXEEELSA-N	248.091	-0.236	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCC(=O)N(C)C	45014369	JVUNMKYVTDPVEC-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CCl	81905725	VNZHWAOXOGJWGZ-YFKPBYRVSA-N	249.741	-0.465	50	10	BBGE	
O=C1CN(C(=O)NC(=O)CCCl)CCCN1	83748182	HZTWCROFKBTBKS-UHFFFAOYSA-N	247.682	-0.327	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1CC(O)C1	84453472	GWJNGHYCGWXTLU-UEJVZZJDSA-N	215.297	-0.542	50	10	BBGE	
CSCC(=O)NNC(=O)[C@@H]1CCCOC1	89994919	SMKKRHJADPQZRZ-SSDOTTSWSA-N	232.305	-0.077	50	10	BBGE	
NNC(=O)c1cccc(Cn2ncccc2=O)c1	110601805	LEHQKOVDQXXIRP-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](N)C2)cc1	113179069	HQUYTLIYMDQPFT-LLVKDONJSA-N	234.303	-0.177	50	10	BBGE	
CC(=O)[C@@H](O)[C@@]1(C)NC(C)=C(C#N)C1=O	136673683	FZIDXOKSBPDUTE-PSASIEDQSA-N	208.217	-0.335	50	10	BBGE	
OB(O)c1cccc(OCCn2cccn2)c1	198936909	ZWILMHUSMUWTMJ-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
[C-]#[N+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	216708965	UTVPYVVOMOIHMB-MRVPVSSYSA-N	230.289	-0.059	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CO)C1	226494465	HKZKIVZQITYEMW-BDAKNGLRSA-N	215.297	-0.685	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444423	KGEPAOMEIVLHHU-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[S@@](=O)CCCN1CC(=O)OC(=O)C1	229396572	MVKQLPJCMJFTFW-CQSZACIVSA-N	219.262	-0.860	50	10	BBGE	
C[S@](=O)CCCN1CC(=O)OC(=O)C1	229396584	MVKQLPJCMJFTFW-AWEZNQCLSA-N	219.262	-0.860	50	10	BBGE	
CC(=O)NNC(=O)COc1ccc(CN)cc1	232556956	IZWLIGXNUPBRIW-UHFFFAOYSA-N	237.259	-0.309	50	10	BBGE	
COc1cccc2sc(B(O)O)nc12	238341074	YORLYTRZHIGKLO-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)O[C@@H](CO)C1	299954302	AXOUIBJDESYCII-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
COCC[C@H](CO)NC(=O)CBr	300767347	OZGOYQUULBJWGV-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](O)CC1)C(=O)NN	378810208	ZULNSUBHFMOTHJ-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCOC1CN([C@@H](CC)C(=O)NN)C1	383040368	AALTWIDZPFJGGS-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
N#Cc1cnn(C[C@H]2CC[C@H](C(=O)NN)O2)c1	383835024	TZQHAAPIBZKOGR-RKDXNWHRSA-N	235.247	-0.708	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCN1[C@H](C)C(=O)NN	389457224	ZDXZSKMWDRYMFI-YIZRAAEISA-N	215.297	-0.400	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)CCCCl)CC1	390511151	ZHQIEOYBHLGCNJ-UHFFFAOYSA-N	248.710	-0.156	50	10	BBGE	
COc1ncc(N2CC(=O)OC(=O)C2)cn1	395155740	QGGSIQNAFDPNBV-UHFFFAOYSA-N	223.188	-0.625	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](CO)C1	395811535	LAVGILVZTCVLRY-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(C)[C@H](OC1COC1)C(=O)NN	395828154	YMNJAYBKYJPJMP-SSDOTTSWSA-N	202.254	-0.194	50	10	BBGE	
N#Cc1ccc2c(CO)csc2c1B(O)O	396215702	GJEUTYGZVSWAGD-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc(O)cc2c(B(O)O)csc12	396334589	CMJUQAZCXAWBTG-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN([C@H](C)C(=O)NN)C1	398847579	TYMRJQYWQOPKEH-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
C[C@]1(C(=O)Nc2cccc(B(O)O)n2)C[C@H]1F	404964039	AWMQQCVDGMNSTD-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
NS(=O)(=O)N1CCOCC[C@H]1Cl	616661118	YWEMZQOHJMUPAC-YFKPBYRVSA-N	214.674	-0.523	50	10	BBGE	
CN(C(=O)NN)[C@H]1CCCS(=O)(=O)CC1	694209945	KOLMYFRYCLLIKJ-ZETCQYMHSA-N	235.309	-0.531	50	10	BBGE	
O=C1NCC[C@@H]1NS(=O)(=O)CCCCl	698953580	PZLZSXKAEYQFAB-LURJTMIESA-N	240.712	-0.577	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCSCC1	701931182	GVDFNLKITMJAHF-ZETCQYMHSA-N	217.099	-0.352	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CN(C)C(C)(C)C1	703353648	ZEVOZHXAUBOMFU-RKDXNWHRSA-N	228.340	-0.221	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C)C[C@H]1CO	703890701	GTUCHGBZOCULOX-SFYZADRCSA-N	220.700	-0.251	50	10	BBGE	
CC(C)(C)[C@@H]1CN(C(=O)C(=O)NN)CCO1	708948806	ZOJRQYFZBZWHCC-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
OB(O)c1cnn(CCCOC(F)(F)F)c1	713430751	YCBLFGFMQSQRNC-UHFFFAOYSA-N	237.974	-0.511	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)n2)n[nH]1	716646070	WMVLUMVUWDFYLA-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)NN	717080208	FSDKDVLGXFKECY-OOJXKGFFSA-N	211.265	-0.615	50	10	BBGE	
Cc1nnc(CNC(=O)NC(=O)CCl)o1	718887762	CRZPOEXJRCJMIE-UHFFFAOYSA-N	232.627	-0.057	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCC1CC2	722806613	NPUXZAWSNAHXNY-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
CCC(Cn1cncn1)=NNC(=O)NC	794495463	SNPFBNTTZBZSMV-UHFFFAOYSA-N	210.241	-0.027	50	10	BBGE	
CN[C@@H](C)CNS(=O)(=O)CBr	850587918	NWRDJQZOMBJRBU-YFKPBYRVSA-N	245.142	-0.134	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1C	862505187	BVZBCEIQVVVOHR-QMMMGPOBSA-N	236.275	-0.220	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@]1(C)CCN(C)C1=O	910138661	KCTVEEQTUDHFQV-KWQFWETISA-N	243.307	-0.801	50	10	BBGE	
C[C@@H](CC(=O)NNc1ncccn1)NC(N)=O	1118309278	OSQWCNMKRAONBP-LURJTMIESA-N	238.251	-0.633	50	10	BBGE	
O=C(COC(F)F)NNC(=O)c1ccnnc1	1451681523	GCRAZHDBLGILIW-UHFFFAOYSA-N	246.173	-0.523	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1cccc(F)n1	1470522843	QJXVLNNUEKSHJK-SSDOTTSWSA-N	239.206	-0.471	50	10	BBGE	
CCn1cc(CC(=O)NNc2ncccn2)nn1	1540751148	OSXSSINAHRYZOB-UHFFFAOYSA-N	247.262	-0.226	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(C(N)=O)[nH]1	1638573683	GSPYSNQGJUTZRG-ZCFIWIBFSA-N	240.263	-0.929	50	10	BBGE	
CCC[C@@H]1CN(C(=O)NN)C[C@H]1CO	1878024662	JGWJIYUPRFHYKI-SFYZADRCSA-N	201.270	-0.090	50	10	BBGE	
NC1(CNC(=O)/C=C/C(=O)Cl)CC1	1883646810	DQBIHWMKFHZMER-OWOJBTEDSA-N	202.641	-0.085	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1CC[C@H]1O	1884169571	FAPZGTUHQXWWTP-RNFRBKRXSA-N	227.713	-0.085	50	10	BBGE	
CN1C[C@H](NC(=O)C2COC2)[C@H](Cl)C1	1884429167	QDJKQUMCSQPTIO-SFYZADRCSA-N	218.684	-0.330	50	10	BBGE	
O=C1N[C@@H]2CN(S(=O)(=O)CCl)C[C@H]2O1	1884551285	PKQPPHVRYRVMNY-RFZPGFLSSA-N	240.668	-0.695	50	10	BBGE	
N#C[C@H](Cl)CN1CC2(CNC(=O)N2)C1	1884965728	FFLDLDNDGSJYMZ-LURJTMIESA-N	214.656	-0.515	50	10	BBGE	
O=C(CCl)N1CCO[C@@H]2C[C@@H](O)C[C@@H]21	1886576803	UTXMDUUJFRKJDX-BIIVOSGPSA-N	219.668	-0.024	50	10	BBGE	
COC[C@H](SCC(C)(C)O)C(=O)NN	1887130600	BEDNZRWFPUTIFJ-LURJTMIESA-N	222.310	-0.505	50	10	BBGE	
C[C@@H](C(=O)NN(C)S(C)(=O)=O)[C@@H](C)S	1888555159	VJDYUCVBMCRTQU-PHDIDXHHSA-N	240.350	-0.137	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCC#CCO	1892469956	MKBYYDGUMTXUDU-UHFFFAOYSA-N	215.636	-0.190	50	10	BBGE	
COC1(C(=O)NC[C@H]2C[C@H]2Cl)CNC1	1893119447	OIDXVBMLHHSKME-RNFRBKRXSA-N	218.684	-0.282	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1Cl)[C@H]1CC(=O)NC1=O	1893119541	OZUZVDDPOUYBGE-ACZMJKKPSA-N	216.668	-0.039	50	10	BBGE	
CO[C@@H]1CC(=O)N([C@@H](C)CC(=O)NN)C1	1893865049	SLTQAHNQMHOQQZ-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN=S2(=O)CCC2)O1	1896175201	FKBFOONFZPWJHN-SFYZADRCSA-N	247.320	-0.604	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@H]2COC[C@H]21	1897226525	JSMRZVUZADUWPZ-CROXQLKHSA-N	245.662	-0.474	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]2C2CCC2)n1	1897475330	CXGJZYDROJLYLG-UWVGGRQHSA-N	220.081	-0.001	50	10	BBGE	
C[C@H](F)CNc1ccc(C=O)c(B(O)O)c1	1901242532	MQADAUIGNVNZCM-ZETCQYMHSA-N	225.028	-0.051	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1=CC[C@@H](N)C1	1901339661	RCTRWCHXZRZNAZ-MRVPVSSYSA-N	247.320	-0.653	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C#C[C@@H](C)N	1902015111	VSJDHDLRGJVJPQ-MRVPVSSYSA-N	247.320	-0.962	50	10	BBGE	
CCOC[C@]12C[C@](C(=O)NN)(CO1)C2	1902146356	VVAWCZKCFAOGNW-KYZUINATSA-N	200.238	-0.438	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H]3CCC[C@H]32)n1	1902643208	XVPLGECZAHHIIX-JGVFFNPUSA-N	238.121	-0.193	50	10	BBGE	
CCc1cncc(CNC(=O)C(=O)NN)c1	1905191026	IEABZSPWLZUFMK-UHFFFAOYSA-N	222.248	-0.750	50	10	BBGE	
C[C@@H]1[C@H](Cl)CCN1C(=O)Cn1cnnn1	1914467909	NLDVKMSVWZCHRC-RNFRBKRXSA-N	229.671	-0.099	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1CC(O)C1	1914601819	XKTLQIDMMOXYBB-MDVIFZSFSA-N	213.281	-0.933	50	10	BBGE	
CC1(C)CCCO[C@@H]1Cn1cc(B(O)O)cn1	1923786595	ZJCHXLGZDLKXDE-SNVBAGLBSA-N	238.096	-0.232	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(=O)N(C)[C@@H](C)C1	1926006526	QMNKKHVSLLJFPC-XHNCKOQMSA-N	242.323	-0.837	50	10	BBGE	
Cc1cn(C[C@@H]2C[C@@H]2C(=O)NN)c(O)n1	1927913267	HIGXIIDJJBIRIG-BQBZGAKWSA-N	210.237	-0.477	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCOCC1	1927914649	WPJSUWFECUDGHG-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
O=C(CCCl)N1CCOC[C@H]1[C@@H](O)CO	1928573818	OLRZFCBPWUJDKS-YUMQZZPRSA-N	237.683	-0.804	50	10	BBGE	
O=C(CCBr)NCCn1cnnn1	1928857990	TZANFYZBEYOSDL-UHFFFAOYSA-N	248.084	-0.426	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C2(CC2)C1	1930174569	DYIWKDCAGQSCAI-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
N#CCONS(=O)(=O)CBr	1930369107	BWMMJTJTJWQBGM-UHFFFAOYSA-N	229.055	-0.287	50	10	BBGE	
CC1(C)[C@H]2C[C@H](C(=O)NCB(O)O)C[C@H]21	1930375914	JCGUBIWXWMTLRH-WHUPJOBBSA-N	211.070	-0.203	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H](O)[C@H]2C1	1931413249	PPAVXVHMYGLTOR-CIUDSAMLSA-N	213.281	-0.931	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CONC2=O)C1=O	1931729911	NNXSIQVLCVUYDR-XRGYYRRGSA-N	218.640	-0.496	50	10	BBGE	
NNC(=O)CCCN1CC(N2CCC2)C1	1932052952	LJXDNNAUHWBDOY-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(C)C1	1932250758	YPDJZDFMTQAVBQ-QXFUBDJGSA-N	213.281	-0.667	50	10	BBGE	
CN(Cc1cnns1)C[C@H]1C[C@@H]1C(=O)NN	1936094628	OSPCSLZXLDWWCO-SVRRBLITSA-N	241.320	-0.404	50	10	BBGE	
O=C(Cn1cncn1)N1CCOC[C@@H]1CCl	1937141449	SMXZJCPHZAXHHP-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1CC(O)C2	1941083438	QRNLXBSAORKTEJ-FTYOSLGDSA-N	239.319	-0.400	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2CC[C@@H](O2)C1=O	1941091043	UHURDFCRYCRDCH-UYXSQOIJSA-N	239.275	-0.998	50	10	BBGE	
CC(C)O[C@@H]1CCN(CCOCC(=O)NN)C1	1941773305	VZMTUNXUHWPBKD-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CN)C[C@@H]1C	1943685074	RPKAQZMXMYOLQY-WCBMZHEXSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1cnnn1C	1950438549	HOCGVKJSVPBFGK-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
ClC[C@@H]1C[C@@H]1N=c1ccc2nnnn2[nH]1	1957830088	ZTGDWMFEVHPMKW-WDSKDSINSA-N	224.655	-0.020	50	10	BBGE	
C[C@H](CN(C)Cc1ncon1)C(=O)NN	1958700055	VHYWVCVFANXWIK-ZCFIWIBFSA-N	213.241	-0.873	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](O)CC	1959516766	JZUBXQJMEYMCDO-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)CN1CCC[C@H]2COCC[C@H]21	1961288670	MLOOSEWDFLZQBL-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]1CN(C)C	1976931302	ICWIQKNOAVKMKM-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1ccn([C@H]2C[C@H]3[C@@H](C2)C3(F)F)n1	1978367528	VRMZEZXSENFHFA-POBXSPIYSA-N	228.007	-0.221	50	10	BBGE	
CC[C@H]1CN2CCC[C@H]2CN1CC(=O)NN	1981077911	VSHIBCJDLKGEAC-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
Cc1ccnc(N2CC[C@H](C)C2)c1B(O)O	1981413234	DDILHMZQKGXLFN-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
N#CC1=CCN(C(=O)c2nn[nH]c2N)CC1	1982034908	WSIOTOFNSJUYRO-UHFFFAOYSA-N	218.220	-0.317	50	10	BBGE	
O=C(NC1CC(Cl)C1)NC1(C(=O)O)COC1	1983216633	VDYBRZIWBBYVBS-UHFFFAOYSA-N	248.666	-0.091	50	10	BBGE	
CC(C)CCCn1cc(B(O)O)ccc1=O	1984102169	RLXIKCLTOAAWQF-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
COC[C@H]1CC[C@H](CNC(=O)C(=O)NN)C1	1985390885	NZOIJTYYVAQXSF-YUMQZZPRSA-N	229.280	-0.845	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1	1992377193	LCNQRXZTSJJVPW-HOTMZDKISA-N	225.292	-0.241	50	10	BBGE	
C[C@H]1C[C@H]1COc1ncc(F)cc1B(O)O	1993077704	XDCOCNHMMSPLBO-BQBZGAKWSA-N	225.028	-0.065	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@]2(CCCOC2)C1	2002821555	AXWGRJUFOXOMLR-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1C[C@H](C)C(=O)NN	2003619534	HWAUCVNOTZNZOO-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CN2CCCC2)C1	2003905809	ZBZKAQHLAVURAQ-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOCC2(CC2)C1	2004238179	LAMOXQBWDMLMJZ-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](n2ccnc2)C1	2004325381	DRPWKBLMCLHCNK-SNVBAGLBSA-N	237.307	-0.100	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cn1	2004917319	AXNHGAGVENHTAW-URLYPYJESA-N	232.092	-0.146	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@]2(C)CCOC2)n1	2004930399	TZMMXMKHPBXSSD-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CCCOC1	2004934997	KDHRFPBEBAQIHK-JTQLQIEISA-N	237.064	-0.372	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1ccncc1B(O)O	2004950181	BWUZPRSKCQLBON-KWQFWETISA-N	237.064	-0.435	50	10	BBGE	
CCc1nccn1-c1ccc(B(O)O)c(C)n1	2005007265	CRRXVLFWDMMXLL-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
CC[C@@H](C)CN(C)c1nc(C)ncc1B(O)O	2005014675	ORSUAGDWYNIZKR-MRVPVSSYSA-N	237.112	-0.053	50	10	BBGE	
CC(C)[C@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	2011676426	KQWNQPVDFQKCTO-RKDXNWHRSA-N	243.307	-0.362	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCOC[C@H]1F	2013731426	QOBPCCNXLJOQDH-QEYWKRMJSA-N	245.298	-0.329	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ncc(F)cc1B(O)O	2014926115	JHFSYBOILPGMHJ-HTRCEHHLSA-N	242.034	-0.163	50	10	BBGE	
CC(C)(CCF)C(=O)N[C@H](CB(O)O)C(=O)O	2016756897	BCNNOJIXUODESD-ZCFIWIBFSA-N	249.047	-0.586	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2CCC(F)(F)[C@H]21	2021112007	YLXBCMMKORFOEM-BWZBUEFSSA-N	243.018	-0.591	50	10	BBGE	
CO[C@@H]1C[C@@H]1COCc1ccccc1B(O)O	2022711423	GBQBZTNJECCAET-ZYHUDNBSSA-N	236.076	-0.082	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(C)(C#N)C1	2027010224	VYUZLGOCKWOWFM-UHFFFAOYSA-N	248.290	-0.631	50	10	BBGE	
CCN(Cc1ccccc1B(O)O)C1CN(C)C1	2030286871	MSQUXLURGRGNRZ-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1ccc(N2CCOCC23CCC3)nc1	2052467282	PAEDQFILHNNXMU-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CCC[C@H]32)c1B(O)O	2052559338	ISAMPNLVHHOQTQ-VHSXEESVSA-N	247.107	-0.156	50	10	BBGE	
COc1cc(F)c(B(O)O)c([N+](=O)[O-])c1	2060100990	VCQIFBIVEGYCPR-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
COc1cc(C#N)c(C=O)cc1B(O)O	2060189037	XMDDHYPJTVPFIX-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
Cc1nc(NC(=O)[C@@]2(C)C[C@@H]2C)ncc1B(O)O	2069485114	RKVKKVPIBFVKHP-KGFZYKRKSA-N	249.079	-0.551	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1C2(CC2)C12CC2	2083524399	ZETKGMOMLTVBPW-UHFFFAOYSA-N	245.087	-0.282	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210692304	XELHSTNQJFNATP-HLTSFMKQSA-N	233.287	-0.450	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)[C@@H]1CCOC1	2211077932	JBSWAFXKJYLGNR-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1cc(B(O)O)ccn1	2212610092	CDFXMCGWKPKJDO-JGVFFNPUSA-N	224.069	-0.810	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2212612302	JRBUNSYSOSPITH-DTWKUNHWSA-N	221.069	-0.947	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H](CCO)C1	2215778274	YHOOEJJLTNYIAG-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1ccc(OCCCC2CNC2)nc1	2217185969	DVOINNXUXMXSMK-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
CC[C@H](N)CN(CC)c1ncccc1B(O)O	2217199376	LVNMBNLLKZHORO-VIFPVBQESA-N	237.112	-0.675	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@@H](F)C1	2217408656	IPVSSXXDTPKADD-VXNVDRBHSA-N	240.043	-0.939	50	10	BBGE	
N[C@@]12CC[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220072964	RCNSRKIRRFPBTE-WCQYABFASA-N	246.119	-0.711	50	10	BBGE	
OB(O)c1ccnc(NC2[C@H]3CC[C@H]2CNC3)c1	2223633915	CWGRZLXLFPMXAC-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1CCN	2223635449	XIPIRWLUVKJMTL-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223645754	YWWGNJJDNTVVMF-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
N#Cc1ncccc1Oc1ncccc1B(O)O	2223651232	BCMLQRYXFRUHSH-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1F	2223653053	NREJKSNXWXAVIF-CGFMOORUSA-N	248.066	-0.033	50	10	BBGE	
CC(C)[C@@H]1CNCCN1c1cc(B(O)O)ccn1	2223667023	MLPJQWQVBUOVTI-NSHDSACASA-N	249.123	-0.804	50	10	BBGE	
NC[C@@H]1CCC[C@H](Nc2ncccc2B(O)O)C1	2223674616	MGNXGUROGKHNKQ-ZJUUUORDSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)nc1	2223675016	ORACXZHBIQGNBS-HBNTYKKESA-N	248.091	-0.259	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2c2ncccc2B(O)O)C1	2223675181	UYBNXDIINZLLPG-OTCDBFHCSA-N	247.107	-0.921	50	10	BBGE	
COCCNC(=O)C1CC(B(O)O)C1	2241475186	SHHXJHPUKKALCJ-UHFFFAOYSA-N	201.031	-0.998	50	10	BBGE	
CC1CN(C(=O)Nc2ncc(B(O)O)s2)C1	2242836918	QAKOHCBAIWFWLI-UHFFFAOYSA-N	241.081	-0.694	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)o1	2243356993	PSMCUPYVCOYUAK-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
CC(C)(C)[C@H]1CCN(C(=O)C#CB(O)O)C1	2243357137	RQSNOEUWVKLTHT-VIFPVBQESA-N	223.081	-0.104	50	10	BBGE	
O=C(NCCC(F)(F)CO)C1(B(O)O)CC1	2243368386	HUFWLTCCRUHEBC-UHFFFAOYSA-N	237.011	-0.873	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1c(C)nsc1B(O)O	2243385268	GFPWODGEKQKPJV-RXMQYKEDSA-N	240.093	-0.564	50	10	BBGE	
O=C(Nc1ncncn1)C1CC(B(O)O)C1	2243397057	UXVBUPKUCHYQLN-UHFFFAOYSA-N	222.013	-0.937	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CCC2)CNC1	2243410657	FSSMIQBJKVZOQB-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CSC2)C1	2243414227	WHEMIGPWHSNJSY-OCAPTIKFSA-N	241.121	-0.185	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243426652	JTXXHFPKTOBHGC-XHNCKOQMSA-N	226.085	-0.940	50	10	BBGE	
O=C(NCC#CB(O)O)c1cncc(Cl)c1	2243684678	FGFUWCMQEBZHTD-UHFFFAOYSA-N	238.439	-0.520	50	10	BBGE	
C[C@H](CCl)C(=O)NCc1noc(C(N)=O)n1	2244122421	XIUAZBCTXANGCL-SCSAIBSYSA-N	246.654	-0.340	50	10	BBGE	
C=C(C)CONC(=O)c1cc(B(O)O)co1	2244219104	FVLGBWKUJJJUKA-UHFFFAOYSA-N	225.009	-0.803	50	10	BBGE	
Cc1nc(SCC2COC2)ncc1B(O)O	2244483858	PZBVFSVLJHERHI-UHFFFAOYSA-N	240.093	-0.797	50	10	BBGE	
CN(CC[C@H]1CCO1)C(=O)C1(B(O)O)CC1	2246175993	ABNONLUEQXQNLY-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC(F)(F)C1(CNC(=O)C#CB(O)O)CCC1	2247739931	DAFPLHQJGHPBPE-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
O=C(C#CB(O)O)NCCc1ccc(F)cc1	2247742914	WBJAAZXAIFGWOA-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccsc2B(O)O)C1	2247745248	FWWFDLDYDSKTII-OCAPTIKFSA-N	249.100	-0.431	50	10	BBGE	
C[C@@H](N)c1cccc(NC(=O)C#CB(O)O)c1	2247746936	GNNZQEANOYEKNK-MRVPVSSYSA-N	232.048	-0.340	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)cn1C(C)C	2247759539	SIMQRDPRNHYBAQ-UHFFFAOYSA-N	240.068	-0.570	50	10	BBGE	
Nc1cncc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2247797028	FSFYCTPFTCQKRD-BDAKNGLRSA-N	235.052	-0.857	50	10	BBGE	
CCC[C@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797296	IIFFIWHDFCYJTO-GUBZILKMSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC2(CC2)C[C@@H]1CO	2247797829	NHVQEMNFZZYNCC-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
O=C(Nc1ccccc1CO)[C@@H]1C[C@H]1B(O)O	2247806141	MFOKZFBPQWDDFK-RKDXNWHRSA-N	235.048	-0.020	50	10	BBGE	
CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1(C)C	2247809900	SHRBAUKANVSSHE-CIUDSAMLSA-N	240.112	-0.552	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CC[C@H](O)CC1	2247852085	OQMSUTIAPNULMX-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2247859365	MILBCKKMMXAWHK-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@H]1O	2247887877	SMJKCHCUORXHLD-UTINFBMNSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@]1(C)CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247893930	AMRXNGUFMPMVCA-KKZNHRDASA-N	241.096	-0.266	50	10	BBGE	
CCCN(CC(=O)OC)C(=O)[C@@H]1C[C@H]1B(O)O	2247895183	PPBCUKFIDKLXOU-HTQZYQBOSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H](O)C2(CC2)C1	2247895799	VLAMLNNDIGUCQW-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CC2)C[C@H]1CO	2247899430	NHVQEMNFZZYNCC-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
CN(C[C@H]1CCCCN1)C(=O)[C@@H]1C[C@@H]1B(O)O	2249159127	DGMRJKCASYMALG-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CC(=O)NC(=O)c1cc(B(O)O)c(F)cc1C	2249380396	CPLKIGYOTHELTI-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
CC(C)(F)CCNC(=O)c1cc(B(O)O)co1	2249415388	DJGOTZAWUOSWSG-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1cc(B(O)O)co1	2249427827	AARFTTTZIIZFKX-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
CON(CC1CC1)C(=O)c1cocc1B(O)O	2251018499	OCAUFMYUAYFTHM-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3CC(C3)C2)n1	2254701362	PAMCIMFTKHTVLB-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ccncc1B(O)O	2255448940	IILQJOXLJPURPP-SECBINFHSA-N	246.075	-0.707	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1c(F)cccc1B(O)O	2255508576	BFUODWAQHAGVIT-QMMMGPOBSA-N	249.050	-0.401	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]1C1CCC1	2255713960	KKORBEBFMVCDOY-VIFPVBQESA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C=CCC2)n1	2255731531	HGSPZAUVBZAQTI-SECBINFHSA-N	246.075	-0.482	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ncc(B(O)O)cn1	2255773690	DNRMAZCBVXIAII-APPZFPTMSA-N	249.079	-0.973	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2nccnc2B(O)O)C1	2256068465	BETBVIUYMHOQPX-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1CC=CC1	2256638681	JGFLBALUHCALFG-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
O=c1ccn(Cc2c(F)cccc2B(O)O)cc1	2260997802	UTHNFFDEJYHHGS-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CC[C@@H]1O2	2298225359	XDBBZKAZLBOKED-QNSHHTMESA-N	234.064	-0.507	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C2(CCC2)C1	2298369256	OKPKDRNTWOKEJR-HLTSFMKQSA-N	238.096	-0.668	50	10	BBGE	
CC[C@H]1CNCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374691	IPCVZCDOUDHZFK-SGIHWFKDSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298375235	BESDLIBHNNFRQD-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C1CC(B(O)O)C1	2298376446	WYPBXNHLQKZXQK-ANQZYXBKSA-N	239.080	-0.325	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H]1O	2301344982	ANIYLQIAZMORLX-MNOVXSKESA-N	232.048	-0.827	50	10	BBGE	
C[C@@H](CCCC(=O)NN)OC[C@@H]1COCCO1	2301983476	XSHDKTZPVUJZDL-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H](CCCC(=O)NN)n1cnc([N+](=O)[O-])n1	2302044691	MCYNGEKHGKGZTG-LURJTMIESA-N	242.239	-0.093	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@]12COC[C@H](C1)C2	2303115201	QZNSPSHHUNRXIU-FXPVBKGRSA-N	239.080	-0.512	50	10	BBGE	
O=C(Cc1ccccn1)N1CC[C@@H](B(O)O)C1	2303116111	ZQMIFYWKBYIQNA-SECBINFHSA-N	234.064	-0.301	50	10	BBGE	
CC[C@@](C)(CN1CCOC[C@@H](O)C1)C(=O)NN	2303424879	WRKZNWGZDRMQGF-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1cc(N2O[C@H]3C=C[C@H]2C3)ncc1F	2303836385	LTXKNJJZPJUXGI-BQBZGAKWSA-N	236.011	-0.651	50	10	BBGE	
OB(O)c1cc(F)cnc1OCc1ccccn1	2317799476	FTYZJNLQXCDDQA-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(Cl)CCN1CCN(CCO)CC1	32021410	DTURUANKAZITBH-UHFFFAOYSA-N	220.700	-0.248	50	10	BBGE	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)NN	42440719	HCNVQKBRVNULOT-RITPCOANSA-N	200.242	-0.845	50	10	BBGE	
C[C@@H](CNCCCN1CCCC1)C(=O)NN	58855026	AKBDHVOTLIYCKI-JTQLQIEISA-N	228.340	-0.312	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H](C)NC(N)=O	66791098	ZURJMPUPJYTWKF-ZETCQYMHSA-N	244.295	-0.373	50	10	BBGE	
CC[C@@H](Sc1nnnn1C1CC1)C(=O)NN	82471956	GXENHPKLCOTKIL-ZCFIWIBFSA-N	242.308	-0.131	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cc([N+](=O)[O-])cn1	86313750	INYHLWHAFXMHHU-NTSWFWBYSA-N	227.224	-0.022	50	10	BBGE	
C[C@@H]1COCCN1Cc1cc(C(=O)NN)no1	110575392	LIYIEQLYIZNFPD-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
Cc1ncn(CCn2cc(C(=O)NN)nn2)c1C	110601224	WOXQHOJTJCCAKR-UHFFFAOYSA-N	249.278	-0.605	50	10	BBGE	
C[C@@H](O)CCN(C)Cc1cc(C(=O)NN)no1	135782750	IKBUECCARHRHDY-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
NNC(=O)COc1ccc2c(c1)NC(=O)CC2	159018712	IZZREXZIORSESD-UHFFFAOYSA-N	235.243	-0.060	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@H](CO)C2)on1	163068390	RCCBNCYKOFQLSJ-ZETCQYMHSA-N	240.263	-0.908	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H](CO)C1	211720747	UCUIVLQDNPAPSQ-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CCC[C@@H](Sc1nncn1N)C(=O)NN	211755066	HSSSJPLUIIHGJM-RXMQYKEDSA-N	230.297	-0.757	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]2[C@@H](CCCN2C)C1	221029324	DILCNQVFANRJKE-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](CCO)C1	227444814	LQRFIUWUKDJXOM-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H]1OCC[C@H]1C(=O)NNC(N)=O	234141338	DUBLMJKXNMYFFN-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
CC(C)CCNC(=O)NCC(=O)NN	238157450	CVBVMFKOPYAUMD-UHFFFAOYSA-N	202.258	-0.678	50	10	BBGE	
OB(O)c1cnc(Cl)c(-n2cccn2)c1	238653229	PJOQNWQGKBEYKQ-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@H](C)[C@H](C)C(=O)NN)C1	252795406	AZQYQENRZRPPDW-QXFUBDJGSA-N	242.323	-0.789	50	10	BBGE	
NC1(c2ccc3c(c2B(O)O)OCO3)CCC1	258099160	FARASFSDNOADLE-UHFFFAOYSA-N	235.048	-0.567	50	10	BBGE	
NNc1cc(B(O)O)cc(C(F)F)c1	306814333	BPVAPQRTCVSXSI-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
Cn1nnc(CNC(=O)CBr)n1	307342481	KLLDPJKJUAJUIH-UHFFFAOYSA-N	234.057	-0.779	50	10	BBGE	
CC(=O)NNC(=O)CCSC(N)=S	308190146	IXAAQNFIHFQTND-UHFFFAOYSA-N	221.307	-0.479	50	10	BBGE	
O=C=Nc1ccc(N2CCNC(=O)C2)nc1	380289411	HVQOMMIQEUXXFH-UHFFFAOYSA-N	218.216	-0.015	50	10	BBGE	
CNCCSC[C@@H]1CC[C@H](C(=O)NN)O1	382646420	KYOKPWUJYPBXDZ-JGVFFNPUSA-N	233.337	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(O)(C2CC2)C1	384173063	URAVJDJRGFREER-HTQZYQBOSA-N	227.308	-0.542	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1C=O	396045463	BKDMUQFRGXEBLS-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1/C=C\C(=O)O	396139375	SDILDOJJUSKFIE-HYXAFXHYSA-N	248.043	-0.404	50	10	BBGE	
CCOC(=O)c1ccc(B(O)O)cc1CCC#N	396141001	YHNNNVUBSFHLES-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
CO[C@@]1(CO)CCN([C@@H](C)CCC(=O)NN)C1	402609245	OIKAOASBSJTXOK-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC[S@@](=O)NCc1sccc1B(O)O	404830203	DSORUZCMQZPXKP-CQSZACIVSA-N	233.123	-0.799	50	10	BBGE	
CO[C@H]1O[C@H](CCl)[C@H](Cl)[C@@H](O)[C@H]1O	616591290	VPDVIMQPZYMQKN-BIVRFLNRSA-N	231.075	-0.074	50	10	BBGE	
OB(O)c1ccccc1O[C@H]1CCCO1	686729706	YROOTPWGHYYBRJ-JTQLQIEISA-N	208.022	-0.118	50	10	BBGE	
C[C@](O)(C[N+](=O)[O-])C(=O)OCCCl	687750979	IRTYJVKONHXRDV-LURJTMIESA-N	211.601	-0.204	50	10	BBGE	
CCN1CC[C@H](N(CC)[C@H](C)C(=O)NN)C1	694928107	URPOOQYAUAYPJW-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
CNC(=O)CCN(C)[C@H](CC(C)C)C(=O)NN	695057849	AZKPSKITXGJBFG-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
CN1CC[C@](O)(CNC(=O)CCCl)C1	702549469	IMWKYKXIYBKPDS-VIFPVBQESA-N	220.700	-0.202	50	10	BBGE	
Cc1nn(CCc2ccccn2)c(C)c1B(O)O	703685974	CKROESKJQZYKKO-UHFFFAOYSA-N	245.091	-0.183	50	10	BBGE	
C[C@@H](CC(=O)NCB(O)O)C(F)(F)F	705538145	UKNFHANOSAFCTP-BYPYZUCNSA-N	212.964	-0.297	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCCCC[C@@H]21	707277458	ASBAAYAIHZFRIT-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCC[C@H]1O	708052464	YCDCXXMRSHZNNC-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H](C)C(N)=O	711139334	BIXCYSNVFRWKPG-SFYZADRCSA-N	230.312	-0.803	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@]1(C)CO	722999315	GQPFWJJUUJOFNK-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CCOCC(=O)NN[C@H](C(=O)OC)C1CC1	781591297	BUNSYQLNIZBCNI-VIFPVBQESA-N	230.264	-0.405	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)nn1	824684585	XDZNEVDOEXPRSU-RDDDGLTNSA-N	249.274	-0.234	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C1(NC(N)=O)CC1	862502277	HSPKUXKQIPDBFD-UHFFFAOYSA-N	249.274	-0.544	50	10	BBGE	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1OC	930733403	RPQVMYZTORSPHH-HTQZYQBOSA-N	245.279	-0.612	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1	1347710562	YQADQLVBSDTJFK-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(CO)on1	1597671786	GMIBQAGAMSUGCM-UHFFFAOYSA-N	228.208	-0.869	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)c1cn(C)nn1	1629261340	YRNWKYLGECERTH-PLNGDYQASA-N	235.247	-0.292	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)CCl	1884852816	LBTSKUVFTSEXDM-RNFRBKRXSA-N	243.712	-0.142	50	10	BBGE	
CC(C)CNC(=O)NN(C)S(C)(=O)=O	1888554160	ICRWEXXFGDCRQW-UHFFFAOYSA-N	223.298	-0.252	50	10	BBGE	
O=C(CCCCl)N1CC2(C1)OC[C@@H](O)[C@H]2O	1896136331	CFGUOJXMHQKXOW-VXNVDRBHSA-N	249.694	-0.662	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cnsc1B(O)O	1900466382	FTQCFJHGNMAFKB-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CCC(CC)NC(=O)c1cnsc1B(O)O	1900468124	WLHGNBUQOSYFKM-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
CCCCNC(=O)CN1CC[C@H](B(O)O)C1	1902541928	UDPPSFDYRWCZHJ-VIFPVBQESA-N	228.101	-0.549	50	10	BBGE	
OB(O)c1ccnc(OCC2CC(F)C2)c1	1904945218	XJUXCIAIVSFCHB-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)NCC=CB(O)O	1905730690	BUCNGSGWAXXMSL-XPUUQOCRSA-N	201.006	-0.581	50	10	BBGE	
CCO[C@@H]1C[C@@H](OC)CN(CCC(=O)NN)C1	1906327763	SSIMPEIMBPPZMU-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CN1CC2(CCCC2)C[C@@H]1CO	1912754412	RUZYBOYBFOCCIV-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
O=C1CC[C@H](O)CN1C[C@H](O)CCl	1914099958	DYEKKQVHTUKXFB-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)C[C@H]1C#N	1914894371	GSBIIGDNQBEWIV-SSDOTTSWSA-N	244.682	-0.399	50	10	BBGE	
CN(CC(=O)NNC(=O)OC(C)(C)C)C(N)=O	1923394100	ZDZOFKUMUCFDNM-UHFFFAOYSA-N	246.267	-0.447	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1[C@H]2CNC[C@H]21	1923401953	NFVHHZKWHXLTRX-SCDXWVJYSA-N	237.181	-0.839	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(CCCO2)C1	1928031925	CVQDSAAVKIRENR-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
NCCCCCSCCOCC(=O)NN	1928178776	JGNMDHQLYIFLQY-UHFFFAOYSA-N	235.353	-0.145	50	10	BBGE	
CCN(Cc1nc(C(=O)NN)co1)OC	1928674766	CUWJPQQROUDEHH-UHFFFAOYSA-N	214.225	-0.339	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CN(C)C[C@H]1O	1928757553	FXLBYCJQNSBCGC-XLPZGREQSA-N	220.700	-0.348	50	10	BBGE	
CCOCCOCC1(C(=O)NN)CC1	1931266142	BCMSVMACUHXIOC-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@@H](O)[C@H]2C1	1931413251	PPAVXVHMYGLTOR-XHNCKOQMSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]([C@@H](O)CO)N1C[C@](C)(CCl)C1=O	1931725984	NRIRLYAPJGDJEX-FJXKBIBVSA-N	221.684	-0.185	50	10	BBGE	
C[C@H](CN1C[C@H]2CO[C@@H](C2)C1)C(=O)NN	1932136329	SKGWJCXEPZEMLU-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CC[C@@H](NS(=O)(=O)CCl)C(=O)N(C)C	1934962701	ZGYYNYRGUCVQFZ-ZCFIWIBFSA-N	242.728	-0.031	50	10	BBGE	
CCOc1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c1	1936084427	NITUWOZZSKHONF-CBAPKCEASA-N	224.264	-0.092	50	10	BBGE	
C[C@H]1C[C@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936092160	SAGCIILHCFCIMR-XSPKLOCKSA-N	225.292	-0.131	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]1C	1936095324	VYVCAKPXSHWALK-XKNYDFJKSA-N	227.308	-0.278	50	10	BBGE	
CN(C)[C@H]1CN(Cc2nnnn2C)C[C@H]1Cl	1936883115	RSXNFUPSMDKYEZ-SFYZADRCSA-N	244.730	-0.437	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1COC[C@@H]1CCl	1937178497	ANXDJLKYFYKPOS-NKWVEPMBSA-N	245.670	-0.957	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1941086784	TXVCVIRETUWAOG-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CO)CC1	1941094975	QKTHQTYRGKUUED-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@]23CCC[C@]2(COC3)C1	1947541500	XAEIXBNIANDZJE-GHMZBOCLSA-N	239.275	-0.995	50	10	BBGE	
Cc1cc(CN(C)C[C@H](C)C(=O)NN)n(C)n1	1949602846	IEWPBRPYMZZYMX-QMMMGPOBSA-N	239.323	-0.214	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC3)C[C@@H]2CO)CC1	1949697175	MECUVGRLBQIGAL-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
CN(C)c1ncc(Cl)cc1B(O)O	1954094263	VOZGXSDWJVBPJA-UHFFFAOYSA-N	200.434	-0.519	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCCS(N)(=O)=O	1957317978	KYKYDFALTVZIKR-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CC[C@@H]2[C@H]1C2(F)F	1958122874	QLHGLRCTLVYYKQ-LMVFSUKVSA-N	219.191	-0.023	50	10	BBGE	
OC1CN([C@@H]2CCN(C[C@H](O)CCl)C2)C1	1958217291	IKCSKOAMEPMVKX-RKDXNWHRSA-N	234.727	-0.663	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@H]21	1958452245	KELTXGGELAIKJA-DKXJUACHSA-N	209.249	-0.767	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]([C@H]1O)N(CCOCCCl)C2	1958774628	JGFUARONAXCVRS-AATLWQCWSA-N	235.711	-0.332	50	10	BBGE	
C[C@H]1CC(C)(C)CN(CC(=O)NN)C1=O	1961378317	YOMLQHBYSFUIIQ-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
CCOCCOc1ncccc1B(O)O	1961712721	NXUYMYOYDCJQLS-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)ccc1F	1965409292	BRSSTIWZPALTLT-VIFPVBQESA-N	247.034	-0.647	50	10	BBGE	
CC(C)OC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1976058004	IOCAVQKSJCSLPX-WPRPVWTQSA-N	227.308	-0.278	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1Cl)c1ncc[nH]c1=O	1979658454	SDMFAWOLVVAUMZ-PHDIDXHHSA-N	243.650	-0.494	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]2COCC[C@@H]21	1980815630	FYKVHPASPZGGOG-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)C[C@@H]1C	1981409245	KQLCKUFQSOXCHW-YUMQZZPRSA-N	221.069	-0.751	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]1C(F)F	1981409349	LRIKQASSLDSOML-QMMMGPOBSA-N	228.007	-0.395	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)CCS1	1981425659	ITLFNGKUUINPKC-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
CSC[C@@H](C)N(C)c1ccncc1B(O)O	1981426628	PEHSLDVUFZLBIJ-MRVPVSSYSA-N	240.137	-0.051	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COC(C)(C)CO1	1983330725	SCRSBFSZLFVPNW-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H](O)[C@H]2C3)CC1	1983568854	YCKUBSQZFTUXPS-HLTSFMKQSA-N	225.292	-0.788	50	10	BBGE	
C[C@H]1CCCN1c1ncc(F)cc1B(O)O	1988002330	VZPLLPUACSDZSO-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC12CCCC2	1992153920	SZUQBOABQUYDFX-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
CCOC[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1996026723	MGKKZOFTUFNSTK-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H](C)CO1	2001540833	XKYJSBIHZIVTMK-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
Cc1ccc2c(c1)CCN(C(=O)C(=O)NN)C2	2004323057	IFYGRXVFDOQAQC-UHFFFAOYSA-N	233.271	-0.130	50	10	BBGE	
Cc1cnc(O[C@@H]2CO[C@@H](C)C2)c(B(O)O)c1	2004925692	TYWZSLCQPINICO-IUCAKERBSA-N	237.064	-0.374	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](F)[C@H](F)C2)n1	2005013887	CFBSFKGXTTUMNN-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1ncc(B(O)O)cc1F)C2	2005017203	BDTIFJQZVRXCCT-CPCISQLKSA-N	236.055	-0.253	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	2006199438	SKDGOFUNAVYOEV-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](CO)CC1(C)C	2012364546	RLSCBODGDBGWJR-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCC(=O)N(C)C1)C(=O)NN	2014819922	CFFZKIAAFPNZIQ-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccncn1	2019213797	WPPPIGNHHUTIMX-UHFFFAOYSA-N	237.263	-0.924	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@@H]2CC[C@H](C1)O2	2020069281	ZIYYKADCOGIZPS-DTORHVGOSA-N	240.068	-0.873	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	2022070735	MSTIRHDJULTXTP-USWWRNFRSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1[C@@H](N(C)C(=O)C(=O)NN)CC12CCC2	2025885594	BQEZQRWZUNDRQW-YUMQZZPRSA-N	241.291	-0.608	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)Cc2ccc(B(O)O)cc2)C1	2038740894	MTXOIMMKWNYWLI-BETUJISGSA-N	249.119	-0.024	50	10	BBGE	
CN1CCN(C(N)=C(C#N)C=C(C#N)C#N)CC1	2040744655	SVAMDCNIJMTNCI-UHFFFAOYSA-N	242.286	-0.099	50	10	BBGE	
OB(O)c1cncnc1N1CCCC2(CCC2)C1	2052472016	PKKDBGWJATXUJO-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2CC2(C)C)c1B(O)O	2052550031	MZGFADFIWACWDK-SECBINFHSA-N	249.123	-0.053	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2CC23CC3)n1	2052623714	AJASKQOURGEAOO-VIFPVBQESA-N	247.107	-0.299	50	10	BBGE	
CC1(C)CC(n2cnc3c(B(O)O)ncnc32)C1	2055737998	PZYYUGPLVZLDMN-UHFFFAOYSA-N	246.079	-0.133	50	10	BBGE	
CCc1c(C=O)ccc(OC)c1B(O)O	2060159898	ZIZPSTQTNFZNEO-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
N#Cc1cc(C(F)F)cc(C=O)c1B(O)O	2060231786	NATIKONFGRIVPM-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(C#N)c1B(O)O	2060307041	WLVSOOMXTROLKV-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CN2CCC1CC2	2077338769	QYFSUOBYMRRMGK-LLVKDONJSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncnc(OC[C@@H]2C[C@@H]2C2CC2)c1B(O)O	2079937634	YUQHYTDQUDTXPP-VHSXEESVSA-N	248.091	-0.110	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H](O)C[C@@H](F)C1	2210691868	NUTBTEFKJVMWSC-BGZDPUMWSA-N	231.271	-0.983	50	10	BBGE	
O=c1cnccn1Cc1cscc1B(O)O	2211134819	CSCDDSOHMWPEAV-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccno1	2212089410	NUPRNDKVFVYVHZ-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CC[C@H](N)COc1nccc(B(O)O)c1F	2212606124	OWEXRCRRMKERSV-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
CN[C@H](C)CCOc1ncccc1B(O)O	2212606584	WLNWGDVVWJNOQI-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1cccnc1N1CC=C[C@H]1CF	2212615730	UAHJXVRMYQEBEH-QMMMGPOBSA-N	222.028	-0.524	50	10	BBGE	
C#CC1(F)CN(Cc2cccc(B(O)O)c2)C1	2214596934	SPYWPSWJBPDXFB-UHFFFAOYSA-N	233.051	-0.477	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1ncccc1B(O)O	2214986941	BSDYSMPLHBWTIC-HTQZYQBOSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1Cn1ccc(O)cc1=O	2215776750	ORWLPWGVWUXNPG-IONNQARKSA-N	237.259	-0.430	50	10	BBGE	
Cc1cnc(OCCOC(C)C)cc1B(O)O	2217167726	PRZIMTGCZBCUSL-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
CC1(C)C[C@@H](Nc2ccc(B(O)O)cn2)CN1	2217172819	MXYRKUCFTFXWNM-SECBINFHSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCOC[C@@H]32)c1	2217174470	ZQWCUXGWXMAJBX-ATZCPNFKSA-N	234.064	-0.792	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)c1ccc(B(O)O)cn1	2217183761	KVQLEKCQHWCWLT-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
Cc1cnc(NC[C@@H](O)C2CC2)cc1B(O)O	2217183994	PIEAUJVVTGDWQR-SNVBAGLBSA-N	236.080	-0.747	50	10	BBGE	
CCOCC(C)(C)Nc1cc(B(O)O)ccn1	2217184721	VRZINBLEQCERRO-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@H]1C[C@@H](Nc2nccc(B(O)O)c2F)CO1	2217186914	QKNMEEUQSRFOCO-NKWVEPMBSA-N	240.043	-0.510	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2N[C@H]3CC[C@H]2C3)nc1	2223644662	MFRAITDLIXAODD-LSJOCFKGSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H](O)CCC12CC2	2223666580	MYOJLEZNTYNQHC-SECBINFHSA-N	248.091	-0.745	50	10	BBGE	
C[C@@](N)(CNc1cc(B(O)O)ccn1)C1CCC1	2223669015	FERMHKPVEAFGIN-GFCCVEGCSA-N	249.123	-0.309	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CO[C@H]2C[C@@H]1C2	2223676870	GYLTVELWHZYKEW-GDPRMGEGSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@H]2COC3)c1	2223679674	SKGMVHPWICXDFM-QWRGUYRKSA-N	248.091	-0.481	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N(C)O	2241481870	ZJQUGSYLLZTPDW-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
O=S(=O)(O)c1c(Cl)cccc1B(O)O	2241494264	WGKWYGLAKYXABV-UHFFFAOYSA-N	236.441	-0.734	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2242759633	HHSMHYQHTSQIJP-JBDRJPRFSA-N	249.694	-0.399	50	10	BBGE	
CC=C1CN(C(=O)c2ccoc2B(O)O)C1	2243349511	MNWJTYZKRPIPNT-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
O=C(NCC[C@@H](O)C1CC1)C1(B(O)O)CC1	2243363801	MRDKWWLJOTVPEG-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
CN1CC[C@@](C)(NC(=O)C2(B(O)O)CC2)C1	2243366180	YJCRZNVWXIOXFF-SECBINFHSA-N	226.085	-0.796	50	10	BBGE	
Cc1sc(C(=O)N[C@H]2C[C@@H]2C)cc1B(O)O	2243383111	ULOMZCLRBZYCPP-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@H]1CF	2243385206	FAQRSSKVGXKGLY-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
CSCCCNC(=O)c1cc(B(O)O)c[nH]1	2243401597	ULVWCNISZMPIJO-UHFFFAOYSA-N	242.109	-0.823	50	10	BBGE	
CC1=CCN(C(=O)c2nscc2B(O)O)C1	2243410915	KEXGPAGHFGDGQE-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CN1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2243417011	PLVNTTSDRIIYMT-HACHORDNSA-N	226.085	-0.940	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1C[C@H]1Cl	2243713636	YOBGELULWSTYGD-NKWVEPMBSA-N	240.455	-0.673	50	10	BBGE	
O=C(NCCC#CB(O)O)N1CC=CCC1	2244535508	XNCRVMDRMLXYJZ-UHFFFAOYSA-N	222.053	-0.637	50	10	BBGE	
CC(C)[C@H](CC(=O)O)CC(=O)NCB(O)O	2245267250	MROZPWPBSBHIFI-ZETCQYMHSA-N	231.057	-0.748	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC2(CNC(=O)CO2)C1	2245335330	KYYQIBBQYJOIMU-SSDOTTSWSA-N	246.694	-0.269	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(Cl)cn1)C(=O)O	2245913518	SUSGCVMCYPKINX-BYPYZUCNSA-N	244.443	-0.700	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H](C)[C@H]1C	2247734044	QXWAWLHYHJVJOO-RNFRBKRXSA-N	237.064	-0.252	50	10	BBGE	
CO[C@H]1CCC[C@H](CNC(=O)C#CB(O)O)C1	2247741544	BIWOFJHSVZCWKY-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
CCCN(C)C(=O)c1ncc(B(O)O)cc1F	2247754460	DMJHYYXDRDXSDA-UHFFFAOYSA-N	240.043	-0.618	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)C(C)(C)C1	2247754930	NYHHJENAYRHNQK-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC=C(F)C1	2247776258	WJZDUHFQBURROL-UHFFFAOYSA-N	236.011	-0.929	50	10	BBGE	
CN(CC1CCOCC1)C(=O)[C@H]1C[C@H]1B(O)O	2247799267	BINZPWLLVQYZGV-VHSXEESVSA-N	241.096	-0.266	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)N(C)C	2247800574	QGLFSQKJAHJTSV-GUBZILKMSA-N	242.128	-0.448	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247809572	ZROOWVQVZHRSJB-XKNYDFJKSA-N	243.112	-0.239	50	10	BBGE	
CCC(C)(CC)NC(=O)c1cc(B(O)O)n[nH]1	2247855513	TZNUNZIRCMMQAS-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(B(O)O)o1	2247866714	QZWIRVRQSFZHOF-GJMOJQLCSA-N	235.048	-0.512	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)C1(B(O)O)CCC1	2247878696	PGSAAFNTXUSWHZ-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
O=C(NC[C@H]1CCCOC1)C1CC(B(O)O)C1	2247893815	YSCKHSFRQJPIII-XNWIYYODSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2C[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247897107	OAMPFCQIFNFHJD-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)on1	2247898941	IUUYJMSSXNGBGN-IUCAKERBSA-N	238.052	-0.196	50	10	BBGE	
C#CCCN(CCOC)C(=O)[C@@H]1C[C@@H]1B(O)O	2247900636	YMUQPQZSZSGDSC-ZJUUUORDSA-N	239.080	-0.652	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1NC(=O)C1CC(B(O)O)C1	2247903775	MOHUDZPXDFUYBW-YDYPAMBWSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580470	YNXPOEVYRCBAFH-OOJXKGFFSA-N	241.052	-0.687	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1cc(B(O)O)co1	2249420319	SCHNTEJNPYXNSK-RKDXNWHRSA-N	235.048	-0.512	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)[C@H]3O)CCC1	2249567246	OVFCCMWEDCBMAU-ILWJIGKKSA-N	239.319	-0.541	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC(B(O)O)CC1	2251311896	ZDKDTCUAALXSCY-HTQZYQBOSA-N	241.052	-0.828	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)c1ccoc1B(O)O	2255461745	LTNGNFCEJNHETI-VFCFLDTKSA-N	247.059	-0.656	50	10	BBGE	
Cc1cccc(NC(=O)c2ccoc2B(O)O)n1	2255467639	PYRMVUXYPWLVQE-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)[C@H]2C[C@@H]2C)n1	2255481343	GHWIHVYEWKTBGO-XVKPBYJWSA-N	248.091	-0.450	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cc(B(O)O)cn1C	2255509835	SYEYPGWJDWJUFN-LBPRGKRZSA-N	248.091	-0.763	50	10	BBGE	
CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H]1B(O)O	2255569954	AWRROIZWEVYEHV-GHMZBOCLSA-N	248.091	-0.055	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(B(O)O)o1	2255668930	GYUGHAKIGVGTOW-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
CCCC1(NC(=O)c2ncc(B(O)O)cn2)CC1	2255692458	VLLJXJFPOULQCY-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2255722387	NYKXYIFDDDMKFG-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cccc(B(O)O)c1F	2255746273	XLBCMMUQWCNWTB-IIDWOEFGSA-N	249.050	-0.356	50	10	BBGE	
C#CCCC(=O)N1CCc2cc(B(O)O)ccc21	2256637152	RRQNNMAYFWIZCY-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c1	2298225700	OWTHLBBKLBSANJ-ASXGKARISA-N	230.076	-0.394	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1CO2)[C@H]1C[C@H]1B(O)O	2298369559	YJLDWBCHSKIPMW-SOYHJAILSA-N	239.080	-0.467	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370454	YXNKVIXAIQDDRV-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCCO1	2298376858	SWFXSZXCZQHZDM-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCc2nccn2CC1	2300203312	IMSVKCIGDHVISQ-VIFPVBQESA-N	237.307	-0.490	50	10	BBGE	
CC1(CO)CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300368432	FIOQSHTZEOTEMA-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
CC12CC(C1)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)CO2	2300512671	GPXLBEJCZOVWOS-IPMXQJQMSA-N	239.080	-0.467	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2CC[C@@H](O)C2)C1	2303152667	ZGFXBCCGMWLCQP-PSASIEDQSA-N	242.084	-0.888	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836391	LWOSBFXZVNANBR-IMTBSYHQSA-N	240.043	-0.653	50	10	BBGE	
CC(C)[C@@H](CN)Oc1ccc(B(O)O)cc1C#N	2317209350	QKGVIGOAOCHLEW-GFCCVEGCSA-N	248.091	-0.400	50	10	BBGE	
CN(C)S(=O)(=O)NCC(=O)Cl	11892407	IMHXQGPSIQGENA-UHFFFAOYSA-N	200.647	-0.852	50	10	BBGE	
CC[C@@H](NS(=O)(=O)N(C)C)C(=O)Cl	11893571	RELIKVJTKSIENK-RXMQYKEDSA-N	228.701	-0.074	50	10	BBGE	
C[C@H](NC(=O)NC(=O)[C@@H](C)Cl)C(N)=O	35796989	CDYOJUHXRHDVDL-DMTCNVIQSA-N	221.644	-0.687	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(O)CC1	82465937	NEZUPVRSGAQEKY-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CN(CC1CC1)C[C@@H]1CC[C@H](C(=O)NN)O1	82468909	LUGYERUPKAWHJS-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@@H](C)CC(=O)NN	82470372	PDZJWYDWZCIGIX-QMMMGPOBSA-N	230.312	-0.789	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1ccc([N+](=O)[O-])n1	86313829	UFTMRQVRLUEXDY-RITPCOANSA-N	227.224	-0.022	50	10	BBGE	
C[C@@H](Sc1n[nH]c(=O)n1C)[C@H](C)C(=O)NN	86314010	YRDNWEXMURVOEZ-CRCLSJGQSA-N	245.308	-0.785	50	10	BBGE	
NNC(=O)C(=O)NCCCCC(F)(F)F	124519396	KJQLXSWEVNVHPA-UHFFFAOYSA-N	227.186	-0.175	50	10	BBGE	
C[C@H](CO)N(C)CCCCC(=O)NN	125435266	WPXATSVOCWGQDF-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
O=C(O)Cn1cc(NC(=O)CCl)nn1	170313763	QTLSSHZEVYMIDZ-UHFFFAOYSA-N	218.600	-0.460	50	10	BBGE	
CN(C)CCNC(=O)C(=O)NCCCCl	170359308	IWWWFSWFWWHGJU-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1Cc1ccc(B(O)O)cc1	199010608	ZUXKJTHNQNXNFY-WDEREUQCSA-N	249.119	-0.024	50	10	BBGE	
CO/N=C1/CCc2cc(B(O)O)ccc21	209872443	UVWBADYWXYEXEE-BENRWUELSA-N	205.022	-0.337	50	10	BBGE	
C[C@H](N)CCSC[C@@H]1CC[C@@H](C(=O)NN)O1	228751830	NFQBYLCBKGCUHN-CIUDSAMLSA-N	247.364	-0.006	50	10	BBGE	
CCN(CCCN(C)C)[C@H](C)C(=O)NN	230740539	JCNBQLOWGXCGJD-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
C[C@@H](CN(CCO)CC(F)F)C(=O)NN	231592392	TVYISELGWMOLBX-LURJTMIESA-N	225.239	-0.828	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)cc1C#N	238078514	ZRJYNPXBTCEVOX-UHFFFAOYSA-N	203.994	-0.804	50	10	BBGE	
O=CN1CCN(C(=O)CCCl)CC1	258854318	YATIOWRDYHIWSH-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
COc1ccc(F)cc1C[C@@H](N)C(=O)NN	259018266	PHIOOHNWZCJQKI-MRVPVSSYSA-N	227.239	-0.306	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)NC1CCCCC1	266782155	NIUXEMVOEVICER-UHFFFAOYSA-N	242.279	-0.475	50	10	BBGE	
CS[C@H](C)CNC(=O)NNC(N)=O	308304481	MVYFFEUUXVWTBX-SCSAIBSYSA-N	206.271	-0.380	50	10	BBGE	
CCOCC(C)(C)CNC(=O)C(=O)NN	308982365	FIERZTPCBKPHEY-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
CNC(=O)NNS(=O)(=O)CC(C)C	379392692	SLSXNYWKJXNSDX-UHFFFAOYSA-N	209.271	-0.594	50	10	BBGE	
COC[C@](C)(NC(=O)CCl)C(N)=O	379416075	QXBQRWBZNWGLTK-ZETCQYMHSA-N	208.645	-0.768	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC1CC1	381592365	KASLFHCPQXGWCJ-HTRCEHHLSA-N	211.265	-0.458	50	10	BBGE	
CC(=O)OC/C=C/c1ccccc1B(O)O	385582380	UBELJTUSACGKMZ-GQCTYLIASA-N	220.033	-0.057	50	10	BBGE	
Cn1nncc1CNC(=O)NC(=O)CCCl	394916485	JSUOOFQCQAQVLW-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
O=C(CCl)Cc1cccc(B(O)O)c1	396098439	QERODTUVRUGVFF-UHFFFAOYSA-N	212.441	-0.283	50	10	BBGE	
O=Cc1cc2ccc(CO)c(B(O)O)c2s1	396344427	XBMIHVTZYKPQCQ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	585066453	LWJPCJGQGJJXMN-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
N#CC1(O)CCN(Cc2ncon2)CC1	685977636	ILKXNWJBXRZAOD-UHFFFAOYSA-N	208.221	-0.080	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1CCC(=O)NN	688937824	VRONUHFQCFUPMJ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CC[S@@](C)=O	695114225	ZDROBUCJWXUYAQ-XXFAHNHDSA-N	249.380	-0.299	50	10	BBGE	
COc1ccc(B(O)O)cc1OC[C@@H](C)OC	700786156	RSKYXGIXPGZRQI-MRVPVSSYSA-N	240.064	-0.211	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnccn1	704122945	QRKHJGXTELFZDR-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707346408	IWPKBRUBTISJEC-MWLCHTKSSA-N	243.307	-0.896	50	10	BBGE	
CC[C@@H](OC)C(=O)NNc1nnc(C)n1C	856049759	BSSWOWYGYFZAMJ-SSDOTTSWSA-N	227.268	-0.008	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1	862460720	IJESKUTZPMGHRU-LYFYHCNISA-N	225.248	-0.932	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H](O)C2CC2)O1	862892654	RLOYTTGSHICVJC-VDAHYXPESA-N	242.275	-0.528	50	10	BBGE	
CCOCC(=O)NNC(=O)c1cnsn1	894287351	DRVFANYRNVBRMP-UHFFFAOYSA-N	230.249	-0.664	50	10	BBGE	
O=C(COC1CC1)NNC(=O)N1CCOCC1	900426986	PTAWBOYLPAAOFT-UHFFFAOYSA-N	243.263	-0.762	50	10	BBGE	
C[S@](=O)CCN1C(=O)C[C@@H](Cl)NC1=O	953054888	AYPMBWRCXDMLRB-UWORMDEDSA-N	238.696	-0.128	50	10	BBGE	
O=C1CC(C(=O)NNc2ccncn2)C1	1298154797	DUHLSYRJLXTBES-UHFFFAOYSA-N	206.205	-0.101	50	10	BBGE	
O=C(/C=C/Cn1cncn1)NNc1ccncn1	1298155170	LDVLGEBUHIVAQC-OWOJBTEDSA-N	245.246	-0.232	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)O1	1342594266	ZZYWAZGHXMRQCW-MRVPVSSYSA-N	238.243	-0.357	50	10	BBGE	
COCCC(=O)NNC(=O)[C@@H]1CCCCO1	1460439986	XHNCZHOLPSXQGQ-QMMMGPOBSA-N	230.264	-0.261	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2ccncn2)[nH]1	1627966888	GOIGPLBSANVSOA-UHFFFAOYSA-N	246.230	-0.340	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cc[nH]n2)on1	1645306613	VDICVRUGXKACJJ-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CCCl	1866337527	XRXNFKQILQLJHT-WDSKDSINSA-N	221.640	-0.338	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]1Br	1877485238	HWRTZKRENZEQBI-NTSWFWBYSA-N	236.113	-0.309	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)N	1880023179	JUILCFWHKXELQN-RQJHMYQMSA-N	247.295	-0.407	50	10	BBGE	
O=C(NOC1CNC1)[C@H]1C[C@@H]1Br	1881353964	QKISLNGVBMOPNJ-WDSKDSINSA-N	235.081	-0.211	50	10	BBGE	
C[C@]1(CNC(=O)NN)CSCCO1	1883971186	YNYZCUBULHBFIM-ZETCQYMHSA-N	205.283	-0.319	50	10	BBGE	
C[C@@H](CN(C)C)N1CC[C@@H](B(O)O)C1	1891491773	KTWSPEJTKLLNNV-DTWKUNHWSA-N	200.091	-0.515	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H]1C[C@@H]1Cl	1893469570	KOWKIZAAZNMDLV-BQBZGAKWSA-N	214.652	-0.521	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1894284431	ZRJNVDATRKSVNH-SYWHDRQISA-N	221.304	-0.047	50	10	BBGE	
CN1CC[C@@H]2[C@@H](CCN2CCC(=O)NN)C1	1895054580	HCYQTOVBMBSMFB-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2[C@@H]1C[C@H]2O	1895649150	CZZMRYDQRGZQKN-MQIGXGKASA-N	225.292	-0.933	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@H](F)C1	1900250315	IYYWTLGUJUSKTM-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cnsc1B(O)O	1900473870	AUNAEIIZHJRSIT-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
C[C@H]1CCN[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901374859	WWCWAUKXDZEGSJ-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@H](COc1cncc(C#N)c1)C(=O)NN	1901436832	SPVPCFKOIPWMIH-SSDOTTSWSA-N	220.232	-0.042	50	10	BBGE	
C[C@H]1C[C@H](O)CN1[C@H](C)CCCC(=O)NN	1901765172	UWOPUROJWFFOPH-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CC[C@](C)(CN1CCOCCO1)C(=O)NN	1902715844	LFYMGZDGKPNYTG-SNVBAGLBSA-N	231.296	-0.344	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1cc(B(O)O)c(F)cn1	1903006494	UNLVOAGTKHFFJD-IMTBSYHQSA-N	224.044	-0.255	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CCC[C@H]2C1=O)C(=O)NN	1912216645	RFNBDPOMDLXHOF-PRJMDXOYSA-N	239.275	-0.603	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCCC(=O)NN	1914256787	COKWEMCLRXEHEI-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CO[C@H]1CCN(CC2(C(=O)NN)CC2)[C@H]1C	1914344973	AADPBATXZTXXJY-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
N#CC1=CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1	1917059958	HRJALCZAMWPQQC-VHSXEESVSA-N	242.300	-0.700	50	10	BBGE	
CC[C@H](N=[S@](C)(=O)CCOC)C(=O)NN	1918071670	HLXJDEHYKXAOND-NZFNHWASSA-N	237.325	-0.501	50	10	BBGE	
O=C(Cc1cncnc1)NNC(=O)C(F)(F)F	1923835875	JXYIBVNFERTPAU-UHFFFAOYSA-N	248.164	-0.271	50	10	BBGE	
O=C(NCB(O)O)C1CC2(C1)CC2(F)F	1927958779	JRXYKKQSLMVAJN-UHFFFAOYSA-N	218.996	-0.450	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1C(C)C	1927993059	WGAPUIVHWKQQSD-DTWKUNHWSA-N	215.297	-0.278	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NS(C)(=O)=O)C1	1928752065	ZDIOYSOPDLRSNX-PHDIDXHHSA-N	212.702	-0.543	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@@H]2CCOC[C@H]21	1930434370	SRWWTKXJFFVANP-HSUXUTPPSA-N	215.278	-0.867	50	10	BBGE	
CNC(=O)CN1C[C@@](C)(CCl)C1=O	1931733766	PCKUQXSYZAMZNK-MRVPVSSYSA-N	204.657	-0.180	50	10	BBGE	
CO[C@@H]1CNCC[C@H]1C(=O)NN(C)C	1932347241	JIUPXCKYURRPCD-HTQZYQBOSA-N	201.270	-0.796	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCn1cc(B(O)O)cn1	1940044754	MLJVDWQAJHPIJH-PSASIEDQSA-N	224.069	-0.622	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H]2COC[C@@H]21	1941087798	NTISREZUAVWGJQ-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
CC(C)(CN1C[C@H](O)[C@H](C2CC2)C1)C(=O)NN	1943089325	LRFXNUKROLXWLZ-UWVGGRQHSA-N	241.335	-0.295	50	10	BBGE	
C=C1CON(Cc2ccc(C(=O)NN)cn2)C1	1944608903	VTJXTGADUZLFDM-UHFFFAOYSA-N	234.259	-0.012	50	10	BBGE	
CN(CCOCC(=O)NN)CC1[C@@H]2CCC[C@@H]12	1945073977	HJNBDLXQHRIQPX-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1CC1(C(=O)NN)CC1	1945884048	KNNWTGWAMWWUQB-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccn(C[C@@]23CCC[C@@H]2CCO3)n1	1947437205	OYJSMAMFWAQZRY-KOLCDFICSA-N	236.080	-0.478	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccc(S(N)(=O)=O)cc1	1952822164	WGSHZHDXIMJHTM-BDAKNGLRSA-N	241.272	-0.782	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)[C@@H](CN)C1	1957257953	XGESCLCWVJBPNW-BDAKNGLRSA-N	216.716	-0.308	50	10	BBGE	
CNNC(=O)[C@@H]1C[C@H](OC)[C@H](OC)C1	1957300827	FKESVGLKXZJLKQ-RNLVFQAGSA-N	202.254	-0.323	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@@H](O)C[C@@H](O)C1	1957318798	PSVNTVSFVCTIIV-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
CCOCC1CCN(CC(=O)NN)CC1	1961261469	RPDKGWSJVZNUAS-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CC(C)N(CC(=O)NN)C[C@H]1CCOC1	1961263689	FYGWOHYYGIXRBN-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](COc1nc(B(O)O)cs1)N(C)C	1974619709	JSHGCVCBBSFFHQ-ZCFIWIBFSA-N	230.098	-0.848	50	10	BBGE	
CC[C@]1(C)CCN1[C@H](COC)C(=O)NN	1974731579	CUMJLMAWNMOBHM-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CCn2nccc2C1	1978922953	OEPZWZCRNMRRBB-LURJTMIESA-N	239.304	-0.690	50	10	BBGE	
CC[C@H](C)CC(=O)N=c1nc(B(O)O)[nH]s1	1979357156	TYLOQFJURZZIQC-YFKPBYRVSA-N	243.097	-0.986	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(CCOC2)C1	1981046123	QFKHFESFQJGBPQ-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC1(C)C	1981414841	WUPLDYUYNGWMRA-MRVPVSSYSA-N	221.069	-0.609	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981544110	WDDCGECPPDZOTK-OEJXEDHQSA-N	227.308	-0.542	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	1982261612	ZTTSMTRSRAWVRW-OWUUHHOZSA-N	227.308	-0.419	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2CCCCC(=O)NN	1987530889	JDHVNMQJLSKVNZ-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
O=C(Cl)C=CC(=O)NC1CN(C2COC2)C1	1991655018	QRPGDYWGBDHWRK-UHFFFAOYSA-N	244.678	-0.493	50	10	BBGE	
CN1CCN[C@@H](CNC(=O)C=CC(=O)Cl)C1	1991661482	BCTUICZXZCAKIT-QMMMGPOBSA-N	245.710	-0.672	50	10	BBGE	
CN1CCNC[C@@H]1CNC(=O)/C=C/C(=O)Cl	1991715034	ORBVVAWCJAUQHL-UFUPEUMYSA-N	245.710	-0.672	50	10	BBGE	
C=C(CN(C)Cc1cnc(C)n1C)B(O)O	1992145343	GGSPRDQENNZVFL-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
C=C(Cn1nc2ccccn2c1=O)B(O)O	1992159342	JOFCSZWCXGACDW-UHFFFAOYSA-N	219.009	-0.936	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1997671478	OKZMVNOJBPYENV-QMMMGPOBSA-N	240.307	-0.939	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](n2cncn2)C1	2004324687	AJUSFAWOFQSDDZ-SECBINFHSA-N	238.295	-0.705	50	10	BBGE	
CCN(C[C@H](C)OC)c1ncccc1B(O)O	2004935981	SOJXROAOVDMYKD-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)C[C@H]1F	2005017650	IHVSGTRPRTUHML-IMTBSYHQSA-N	242.034	-0.305	50	10	BBGE	
NNC(=O)COCCOCCCN1CCCC1	2007026171	TZIWVUJJMNLZEE-UHFFFAOYSA-N	245.323	-0.505	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2[C@H](O)C[C@H]21	2008869454	AJMLOUOJCSULFB-XLPZGREQSA-N	249.261	-0.543	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC=C[C@H]1CO	2011254282	QURWHWLGNZSJJQ-QMMMGPOBSA-N	249.261	-0.376	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)[C@H](O)C(C)(C)C	2017673947	JFTZSXHHVOGYRH-RQJHMYQMSA-N	247.295	-0.378	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCC1COCCOC1	2024300381	PUIUWAFSRLLJFA-UWVGGRQHSA-N	244.291	-0.708	50	10	BBGE	
COC1(C(=O)Nc2ccc(C)cc2B(O)O)CC1	2047745720	OXAKIXWWBJHVGS-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
CC1(C)C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2055735774	HTZYTBIJCQMJII-SSDOTTSWSA-N	246.079	-0.448	50	10	BBGE	
Cc1ncncc1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2058462372	OXVJUNOYPRXGAQ-ONGXEEELSA-N	249.318	-0.157	50	10	BBGE	
O=Cc1ccc(B(O)O)c([N+](=O)[O-])c1F	2060054881	HJWGXELMFILMSW-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
N#Cc1c([N+](=O)[O-])ccc(F)c1B(O)O	2060171077	XLFJDDUCAURLPJ-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2071017014	ADDPLKDUIBKPNL-VYGPFJBRSA-N	246.075	-0.563	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1COc2ccccc21	2077492027	HUVMTHZKWJUOKP-SNVBAGLBSA-N	245.043	-0.706	50	10	BBGE	
C=C(CN1[C@H]2CCC[C@@H]1CN(C)C2)B(O)O	2210725606	ASAPBBLIELUBDA-PHIMTYICSA-N	224.113	-0.277	50	10	BBGE	
CN1CC[C@H](OCc2cscc2B(O)O)C1	2211136564	UBAACRHWBVKXDO-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C(C)(C)CO	2211827933	QHAHCQIUNFKWNR-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@]3(F)C2)n1	2212307054	YTMZCOBMMBVYRL-RCOVLWMOSA-N	242.084	-0.239	50	10	BBGE	
C[C@@H](N)[C@@H](C)COc1ccc(B(O)O)cn1	2212609896	ZCDWAMGMKPHZQK-JGVFFNPUSA-N	224.069	-0.877	50	10	BBGE	
C=CC=CCCN=c1cc(B(O)O)cc[nH]1	2212610521	KFZDIEMJOXHKKO-UHFFFAOYSA-N	218.065	-0.273	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C(C)(C)O	2212613104	RVBNARMDIONWDI-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
CC1(C)C=CCN1c1cc(B(O)O)ccn1	2212613107	RWOJODCBHBPULT-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN(CCCO)C1CC1	2215770925	FDTMZJGSPXCSHC-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2215776722	OPBMCGUQPPLJCW-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(N(C)[C@@H](C)CCO)cc1B(O)O	2217181553	RQTZWNJMJRDWKJ-VIFPVBQESA-N	238.096	-0.723	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2COC3CC2C3)nc1	2217181985	XTQRPFIJTRUPAH-YXGXMSFMSA-N	234.064	-0.649	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)c(C)cn1)[C@H](C)O	2217185380	WEVZOJLIHXHPRL-WCBMZHEXSA-N	238.096	-0.359	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217190860	AHMLOZQKDCQTKA-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncc[nH]1	2217199486	MRDWNJUXWUOQOG-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
C[C@H](CC(C)(C)O)Nc1ccc(B(O)O)cn1	2217200277	JCGRYSOVOJRGFF-MRVPVSSYSA-N	238.096	-0.277	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217203608	XYWQMKGWNOEENV-PSASIEDQSA-N	235.096	-0.718	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2223632671	MVLSOZQYPRQYBE-MFOSBRBKSA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1COC[C@H]1C1CC1	2223639103	PPBSQMYLGLCGGQ-GXSJLCMTSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@H]3CCC[C@H]32)c1	2223676302	ZLWBPSSTVNRSDB-MNOVXSKESA-N	248.091	-0.481	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC/C=C/CO	2242016490	PHUMFQLLWKUCPI-MVJNYCIBSA-N	203.625	-0.027	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C#CB(O)O)CC1	2243350349	ZSEKXEGBEJUQDD-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CC1CC([C@H](C)N(C)C(=O)C#CB(O)O)C1	2243356880	ODBVJTQCRZGXAJ-KYHHOPLUSA-N	223.081	-0.105	50	10	BBGE	
O=C(NCC1[C@H]2COC[C@H]12)C1(B(O)O)CC1	2243359086	OPNJDQBFKXVZMT-HTQZYQBOSA-N	225.053	-0.998	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ncsc1B(O)O	2243359601	UVELXQPBJAXZSZ-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
CCC[C@@H](CNC(=O)C1(B(O)O)CC1)OC	2243364829	CVKANPHSOCUHGJ-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
O=C(C#CB(O)O)NC1(C2CCC2)CCC1	2243400092	VVCAOHCSTUHAOY-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
CC1(NC(=O)c2ccc(B(O)O)cn2)CC1	2243407370	QJCKRFKVBGXRIF-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
O=C(NCCn1ccnc1)C1(B(O)O)CC1	2243410445	BOJZJDRTMCIJGG-UHFFFAOYSA-N	223.041	-0.994	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)C(F)F	2243679023	RJIWZSONWHQQDY-UHFFFAOYSA-N	232.954	-0.291	50	10	BBGE	
CCC(=O)NCc1ccc(B(O)O)c(C)c1	2245263376	SRRMEKSVLUJKMU-UHFFFAOYSA-N	221.065	-0.299	50	10	BBGE	
O=C(NCC[C@H]1CCC[C@@H]1O)C1(B(O)O)CC1	2247751266	VROSQQDXAUBALE-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
O=C1CC2(CCC2)CN1C(=O)C1(B(O)O)CC1	2247753652	IXZBRTJTRXMWBI-UHFFFAOYSA-N	237.064	-0.077	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2O)C1(B(O)O)CC1	2247755326	PIJDOXADURCBAV-UYXSQOIJSA-N	239.080	-0.731	50	10	BBGE	
CC1(C)COCC[C@H]1NC(=O)C1(B(O)O)CC1	2247757260	PYKBCHRCVPNEEX-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
O=C(N(CC1CC1)C1CNC1)C1(B(O)O)CC1	2247758282	UUBVVSAFPBRRCJ-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1COC2(CCC2)C1)C1(B(O)O)CC1	2247758678	VZHLBFIOBZUAGD-QMMMGPOBSA-N	239.080	-0.179	50	10	BBGE	
CC(C)CN(C)C(=O)c1ncccc1B(O)O	2247770692	QIIZOARCRXTMNH-UHFFFAOYSA-N	236.080	-0.511	50	10	BBGE	
CCc1cc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH][nH]1	2247785283	INHRYTOKKCIBQU-KNVOCYPGSA-N	237.068	-0.415	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCCC[C@@H](O)C1	2247785401	KICZWTMPKXOSNH-KXUCPTDWSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247786115	WBTSXMPBRZTIBU-UYXSQOIJSA-N	244.075	-0.944	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCC[C@@H]1CO	2247796681	BVPUORNXOXHSBC-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC[C@@H]1C[C@]12CCOC2)[C@H]1C[C@H]1B(O)O	2247798667	WDOQXQFEFOAYAF-CKEKPRIKSA-N	239.080	-0.608	50	10	BBGE	
NC[C@H]1C[C@@]2(CCN2C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247807937	JJEPJUYNIMZKCB-SDNRWEOFSA-N	238.096	-0.811	50	10	BBGE	
CN(CCC(F)F)C(=O)c1cc(B(O)O)c[nH]1	2247846326	DRVCTDWWRMGTGU-UHFFFAOYSA-N	246.022	-0.578	50	10	BBGE	
CC(C)(NC(=O)c1ccc(B(O)O)o1)C1CC1	2247849327	YQQQXDBLQOFKCB-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C#CB(O)O	2247850749	SISCNVXUEIKPQU-QXEWZRGKSA-N	235.092	-0.057	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247869802	YRQGDIZYSDNKHW-YUMQZZPRSA-N	237.064	-0.266	50	10	BBGE	
C=C[C@@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2247870656	NMMGFXGYYLDADD-SNVBAGLBSA-N	239.080	-0.467	50	10	BBGE	
CNCC1CCN(C(=O)C2(B(O)O)CC2)CC1	2247873024	CNMQYVQUFLIMOG-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CCNC[C@H]1CC2	2247886756	GATCWVDACVOMCV-ZYUZMQFOSA-N	238.096	-0.798	50	10	BBGE	
CC[C@H](CCCO)NC(=O)C1CC(B(O)O)C1	2247903406	KFOLSMLMMZNPQT-UDNWOFFPSA-N	243.112	-0.093	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1cccc(B(O)O)c1	2247971500	DFINAKNECHKGNL-QMMMGPOBSA-N	232.048	-0.490	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)C(=O)C1(B(O)O)CC1	2248573234	BBPFJLMRZKPEHJ-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
C[C@H](C(=O)O)N(C(=O)C1(B(O)O)CC1)C1CC1	2248587364	OPFRTPVNKPPWDZ-ZCFIWIBFSA-N	241.052	-0.543	50	10	BBGE	
CC1(CC(=O)O)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248587813	UWVWXMZBSPAWKK-RNFRBKRXSA-N	241.052	-0.828	50	10	BBGE	
CC(C)[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248589694	SYUWLHMFJDBHOS-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C(=O)[C@@H]1C[C@H]1B(O)O	2250593284	JYLZLKSGPLQKIU-IVZWLZJFSA-N	243.112	-0.285	50	10	BBGE	
CC1(C)[C@H]2CO[C@@]1(Cn1cc(B(O)O)cn1)C2	2251107741	QZPCOJXDXFPQSW-LDYMZIIASA-N	236.080	-0.622	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CC[C@@H]2C1	2255473781	NXIBLPCEOHSVLL-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CC23CC3)n1	2255489944	AQJOABLQPWXJAW-VIFPVBQESA-N	246.075	-0.648	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@H]1C	2255500066	GSTOTKUQLAWKQG-XCBNKYQSSA-N	249.075	-0.487	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1cncc(B(O)O)c1	2255524947	ZTQKJADRQXMIOM-LBPRGKRZSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(NC(=O)c2c[nH]nc2B(O)O)cc1	2255546186	BLGNZRLQUFEHFZ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1CCOC1	2255682503	HZZSQNNCLWJMOO-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CCC1	2255714575	SHXBMFMSQGRSDE-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
CC1=CCCN(C(=O)c2cncc(B(O)O)c2)C1	2255714784	WBRNHHNIYGVUAL-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ncccc1B(O)O	2255717838	PMNYKPJDSZLXOY-BXKDBHETSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1coc(B(O)O)c1	2255719937	JOUVSAUEHXZKSD-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255731486	GWUWPQNPDNIOQV-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1occc1B(O)O	2255740949	IIKPDEVCOHOTTN-SYFWFRMHSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CC[C@@H]2C1	2258152651	HOYJOMWPTDDYRV-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376243	OCFFCWLUAIMIQC-UTINFBMNSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C(=O)O	2298462689	BAEHSUDMQOCRAI-FKSUSPILSA-N	241.052	-0.972	50	10	BBGE	
O=C(N1CC[C@H]2C[C@]1(CO)C2)C1(B(O)O)CC1	2299945415	JFAIUZCCEHJHOQ-WAAGHKOSSA-N	239.080	-0.633	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2cccnc2C1	2300089786	NKWPFKKIWYPQBB-UHFFFAOYSA-N	234.259	-0.436	50	10	BBGE	
CO[C@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301423539	UFZAHRIWYUPHPT-MRVPVSSYSA-N	237.064	-0.374	50	10	BBGE	
CO[C@H]1C[C@@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2312614672	DASLMYUFAPDCNQ-MXWKQRLJSA-N	248.091	-0.625	50	10	BBGE	
Nc1ncnc(NNC(=O)c2ccccn2)c1N	40724008	JWVROGIQIZSJEO-UHFFFAOYSA-N	245.246	-0.207	50	10	BBGE	
C[C@@H](Oc1cccc(CO)c1)C(=O)NN	82465661	JTTHHZNTQQOENV-SSDOTTSWSA-N	210.233	-0.064	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1CCNCC1	82471255	AYNGIDRINSGPRB-MRVPVSSYSA-N	214.313	-0.561	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCO[C@@H](CO)C1	88091692	TXWYNWZUMPLAIE-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
N[C@@H](CC(/C=C(\O)C(=O)O)=C\C=O)C(=O)O	100623763	FNEGJFDTWWXQES-GCBAOODNSA-N	229.188	-0.560	50	10	BBGE	
COCCNC(=O)CN(C)C[C@H](Cl)C#N	139517532	XZALCUYONDXJDS-MRVPVSSYSA-N	233.699	-0.188	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)NN(C)C	149141157	BNRUKTZWIAAVOA-LURJTMIESA-N	203.242	-0.032	50	10	BBGE	
OC[C@@H]1COCCN1CCOCCCl	159230152	LVRKUKKUSBTIDI-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@H](CO)C1	163066627	NQULZYJVGLBCSO-QMMMGPOBSA-N	239.275	-0.303	50	10	BBGE	
NNC(=O)c1ccc(COC2COC2)nc1	165765406	FIZRDCZQFWDQRX-UHFFFAOYSA-N	223.232	-0.400	50	10	BBGE	
Cc1ccn(CCOc2cccc(B(O)O)c2)n1	203618081	LYSKBMPYZAJEQQ-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](CNC)C1	216484382	NRJXFNHCLWHTPD-VHSXEESVSA-N	228.340	-0.314	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@@H]1C	222175280	WFIOMLUMKMLJMQ-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
CCOC(=O)C[C@@H](Cl)[C@H](N)C(=O)O	238297795	AGINAYXZMPNOSE-XINAWCOVSA-N	209.629	-0.041	50	10	BBGE	
CN1CCC[C@H]([C@H](N)C(=O)NN(C)C)C1	259064965	MWZPGWPVLSPUOH-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1nnn(C)n1	306615464	PHEUMJBRNKRXHT-BYPYZUCNSA-N	203.633	-0.546	50	10	BBGE	
NC(=S)NN/C=C(/C=O)c1ccncc1	380131317	SWJPPGBOSJZXBQ-YVMONPNESA-N	222.273	-0.041	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@](C)(CO)C1	381348822	HLGWRVJJSLGXGL-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
COCC(=O)NN=Cc1c(Cl)[nH]c(=N)n1C	382113430	LGQOITCAVWCTOG-UHFFFAOYSA-N	245.670	-0.417	50	10	BBGE	
N[C@@]1(C(=O)O)CC[C@H](CCCB(O)O)C1	389738282	VCCFMKDTGKJZGE-CBAPKCEASA-N	215.058	-0.178	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(O)C2)s1	394939955	RIKDIVSSRQPDJO-UHFFFAOYSA-N	227.289	-0.472	50	10	BBGE	
N#Cc1cc(CO)c2scc(B(O)O)c2c1	396228262	UTJZZBUEFIEQPG-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cccc2sc(B(O)O)c(O)c12	396382204	MATWOEJWULMHGN-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H]1COCCCN1Cc1ccc(B(O)O)cc1	398956109	VKMHBHGSZBGFCS-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@](CO)(OC)C1	402627986	XZUQMGQEYZDIKP-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
O=C(OCCl)N(CCO)CCCO	692852278	NZLLMIUZMCIETD-UHFFFAOYSA-N	211.645	-0.004	50	10	BBGE	
CCn1c(=O)ccn(C[C@@H](O)CCl)c1=O	697852076	XLFQOMPMINJVCD-ZETCQYMHSA-N	232.667	-0.370	50	10	BBGE	
Cc1ccc(C(=O)NNC(N)=S)c(O)n1	700845835	UUIYLZOGLYSHJS-UHFFFAOYSA-N	226.261	-0.426	50	10	BBGE	
C[C@@H]1CCN1C[C@H]1CC[C@H](C(=O)NN)O1	706913907	HOKBYYLORYGSSG-IWSPIJDZSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H](C(N)=O)N(C)Cc1ccc(C(=O)NN)o1	711158038	PEMTYRWNBVGTDU-LURJTMIESA-N	240.263	-0.811	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CCO[C@@H]1C(=O)O	715509917	CVFILOAIEWGPEI-BQBZGAKWSA-N	231.252	-0.748	50	10	BBGE	
COC[C@@H](Cn1ccc(B(O)O)n1)C(C)C	721722747	ASFIVEQPFZVQTB-SECBINFHSA-N	226.085	-0.519	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ccn(C)n1	723524813	VIHQMONCCCZSHG-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)[C@@H]1COCCO1	744643569	WZPVKRTYXPNDHK-ZETCQYMHSA-N	241.247	-0.901	50	10	BBGE	
COC[C@H](C)C=NNC(=O)CN(C)C	755888467	FFPCTAOUXRZJJK-MRVPVSSYSA-N	201.270	-0.068	50	10	BBGE	
COCC(=O)NN=C1CCC(=O)NC1(C)C	793024789	KHJQOQBHGLSYTJ-UHFFFAOYSA-N	227.264	-0.206	50	10	BBGE	
O=C(CCBr)N[C@@H]1CCNC1=O	822122083	GITGEKRFRNPGDF-RXMQYKEDSA-N	235.081	-0.224	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@]1(C)CCCO1	910165384	HNQSYCTXADOZKW-WCBMZHEXSA-N	216.281	-0.101	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cocn1	1166395858	OFWMEVQQJFIWRU-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
O=C(NNC(=O)c1cnc[nH]1)c1ccnnc1	1299503426	VCDZUESWFJFVDZ-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CNC(=O)NN=C(C)[C@H]1COCCO1	1322546853	OXPRSPJIKDVTPR-SSDOTTSWSA-N	201.226	-0.293	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3	1346141351	MCZVIFNGEFODGY-SDCKUUTBSA-N	237.259	-0.932	50	10	BBGE	
CN(NC(=O)c1cc(N)ccn1)C(N)=O	1446332751	HCEAHKKWTSQZCO-UHFFFAOYSA-N	209.209	-0.681	50	10	BBGE	
CN(CC(N)=O)C(=O)/C(C#N)=C\c1cnn(C)c1	1625573025	VGRSHSDIBYTTFC-OQFOIZHKSA-N	247.258	-0.729	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CC[C@H](N)C(O)O	1865959997	CLUBBHTYAGYEJF-RITPCOANSA-N	224.688	-0.852	50	10	BBGE	
NCC(=O)NC[C@@H]1C[C@@H]1Br	1877365969	MDFLKJSGPBAMNX-WHFBIAKZSA-N	207.071	-0.155	50	10	BBGE	
O=S(=O)(NC1CC(Cl)C1)C1CNC1	1881718850	KSAYRAOMCBUFBP-UHFFFAOYSA-N	224.713	-0.353	50	10	BBGE	
NNC(=O)C(F)(F)CSC1CNC1	1882111511	ZVBJOSFEOSBPSK-UHFFFAOYSA-N	211.237	-0.683	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1CCCCC(=O)NN	1885891014	ZGMOZZHXRDSRJT-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
COC[C@H](O[C@@H]1CC1(F)F)C(=O)NN	1885984247	OSIDXNLJUKDWMI-CRCLSJGQSA-N	210.180	-0.585	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)C[C@H]1CO	1886211411	HBJWPCXZSDALBW-GJMOJQLCSA-N	204.657	-0.455	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1894283306	KYTUGUBDAIYUTQ-XUTVFYLZSA-N	231.246	-0.048	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@@H]32)ccc1B(O)O	1899253376	MRJASNUGFAXWBG-SCZZXKLOSA-N	218.065	-0.332	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)C[C@@H]1CO	1899577894	QKJUMXMTJOMURK-DJLDLDEBSA-N	218.684	-0.065	50	10	BBGE	
CC[C@H](NC(=O)C(=O)NN)[C@H]1CCCCO1	1900390377	ILFIRJOPZMOSNK-JGVFFNPUSA-N	229.280	-0.560	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CO[C@]2(C)C[C@H]1C2	1900611716	XGJXGEOHVHIUPU-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	1901250972	KOAKGLZBWOFXPC-HTQZYQBOSA-N	226.255	-0.450	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2COC[C@H]21)C(=O)NN	1902707680	SXKGCFMBDQIVBX-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
O=C(NC1(C(=O)O)CCNCC1)[C@@H]1C[C@H]1Cl	1904966289	NVTYPPBGIRFOFR-RNFRBKRXSA-N	246.694	-0.063	50	10	BBGE	
C[C@@H](CN1C(=O)CCCCC1=O)C(=O)NN	1912220544	GCBLHBZLLWGHRN-ZETCQYMHSA-N	227.264	-0.458	50	10	BBGE	
CC[C@]1(C)NC(=O)N(C[C@@H](C)C(=O)NN)C1=O	1912222532	WSODKCAONRHGFN-LDWIPMOCSA-N	242.279	-0.667	50	10	BBGE	
CCc1ccnc(CNC(=O)C(=O)NN)c1	1912392997	AABVKDBPLNBITJ-UHFFFAOYSA-N	222.248	-0.750	50	10	BBGE	
C[C@H](CN=S1(=O)CCOCC1)C(=O)NN	1913856545	NRDBEKIIHWVZKG-SSDOTTSWSA-N	235.309	-0.889	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@H]1CCNC1=O	1916827242	XXTITPSUDZELTM-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
CN1C[C@H](O)[C@H](N2C[C@](C)(CCl)C2=O)C1	1931726051	ONZZPLNYJMWTDI-WEDXCCLWSA-N	232.711	-0.251	50	10	BBGE	
CC1(C)C[C@@H](O)CN1CCC(=O)NN	1934002748	FFZXJDRSGTWMBG-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
Cn1c(O)nc(N[C@H]2COC[C@H]2Cl)cc1=O	1935980802	NQBSGQVJOPKNLJ-RITPCOANSA-N	245.666	-0.096	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cc(F)ccc1=O	1936086877	WPOIVFXZDMYJJZ-SVRRBLITSA-N	225.223	-0.387	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088308	MDBYBFQXOQBXCD-QCLAVDOMSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@H]2C[C@@H]2C(=O)NN)CO1	1936093760	HDYOIZFNDUZICI-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941080912	WCFOVCGAWYBITG-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
COC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@@H]1COC	1944295249	HRDVVSOLFCEELV-LPEHRKFASA-N	245.323	-0.794	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1944713872	OPLATWKASKGHDB-IUCAKERBSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277846	UCZNMMTYEPLWJI-VPOLOUISSA-N	241.335	-0.011	50	10	BBGE	
COC(=O)CN(C)C[C@@H](O)CBr	1953617727	LFLVQMQPNHDRQS-LURJTMIESA-N	240.097	-0.153	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)OCCl	1955275762	ANCMQIBTOAXYQC-ZETCQYMHSA-N	227.644	-0.721	50	10	BBGE	
CSC[C@H]1C[C@@H](NC(=O)C(=O)NN)C1	1956800166	CJCPNAQHGRUVPK-OLQVQODUSA-N	217.294	-0.766	50	10	BBGE	
C[S@@](=O)C1CN(C(=O)NC(=O)CCl)C1	1956889249	KUJZGXZAPLVHCO-CQSZACIVSA-N	238.696	-0.476	50	10	BBGE	
OB(O)c1csc(N2CCC(F)CC2)n1	1961718939	WBUFEROZRVQMAX-UHFFFAOYSA-N	230.073	-0.239	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(F)(CO)CC1	1975529873	AKVHFKGOTSBWHX-QMMMGPOBSA-N	233.287	-0.449	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC(=O)CC1	1976775370	XZSHJYPRWBLYFQ-UHFFFAOYSA-N	227.264	-0.791	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C2(CCC2)C1	1978832038	MJPUHADPPFOTPA-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1979616474	RBEBPLUOKNTDSG-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1C[C@H]2C[C@@H]2C1	1981468460	BZIMWXIAVBECLY-RNFRBKRXSA-N	238.483	-0.129	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@H]1C[C@H]1C	1981531332	WKPGVQYLXMLOAG-XCBNKYQSSA-N	220.081	-0.086	50	10	BBGE	
NNC(=O)C1(Cn2ccc(O)cc2=O)CC1	1982434722	ZPOBVIBHEVRIDQ-UHFFFAOYSA-N	223.232	-0.676	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=CC[C@@H]1CO	1983178704	BHWIDOXNEKJDFF-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCCc2nccn21	1986960743	DDALMGCGKAWACD-QMMMGPOBSA-N	224.264	-0.626	50	10	BBGE	
OB(O)c1ccn(CC23CCC(CC2)O3)n1	1989381018	BXXFULIWTGZCAP-UHFFFAOYSA-N	222.053	-0.726	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCO[C@H](C)C1	1990774105	DXZHWVLZNKVTBI-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
C[C@@H](C(=O)N[C@H]1CCC=C1B(O)O)N(C)C	1991331316	ZMEKAUZVYSSXOS-CBAPKCEASA-N	226.085	-0.847	50	10	BBGE	
C=C(CN1CC[C@@H](N(C)C)[C@@H](C)C1)B(O)O	1992148828	UKPRUGQSYKJUAJ-GXSJLCMTSA-N	226.129	-0.173	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)nc1	2004918057	HAAPJLMYBNAPJZ-PXIYARARSA-N	230.076	-0.394	50	10	BBGE	
Cc1cc(N2CC[C@@H]2C(F)F)ncc1B(O)O	2005013762	AHSLMJUHTWVTJO-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](OC)C[C@H]21	2008784285	BCCFTIGNPYTQGK-JLIMGVALSA-N	243.307	-0.900	50	10	BBGE	
Cn1cnc2c(C(=O)NNCCO)cccc21	2012303236	ZRHKGOJAIXOCFH-UHFFFAOYSA-N	234.259	-0.200	50	10	BBGE	
CO[C@H](CN(C)CCOCC(=O)NN)C(C)C	2014866733	PQHUABOYWXZKAW-SNVBAGLBSA-N	247.339	-0.404	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C#N)CC1	2019218660	GTNQHIQUQVJVHT-SNVBAGLBSA-N	238.291	-0.221	50	10	BBGE	
CO[C@H]1CCC[C@@H](C(=O)NCC=CB(O)O)C1	2020063628	YDHNQDBOGQIMST-ZJUUUORDSA-N	241.096	-0.124	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCCC[C@@H]2F)nc1	2020493189	IXXPVDUCTGSKGZ-IUCAKERBSA-N	240.043	-0.184	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CN3CCC2CC3)CC1	2021070336	BFUSJNKMDFEESU-SNVBAGLBSA-N	239.319	-0.133	50	10	BBGE	
Cc1ncnc(CN(C)[C@H](C)C(=O)NN)c1C	2025895617	NCLOAPXJALKXQX-SECBINFHSA-N	237.307	-0.096	50	10	BBGE	
OB(O)c1cc(F)ccc1OCc1cccnn1	2029099883	KQIWKDHKEGOSFC-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCCc1cccc(B(O)O)c1	2058070291	ZXKWGRXRBZIUSG-SKDRFNHKSA-N	247.103	-0.319	50	10	BBGE	
C=CC1(O)CN(Cc2cccc(C(=O)NN)n2)C1	2074505701	ZXPPOENRYCQFOJ-UHFFFAOYSA-N	248.286	-0.582	50	10	BBGE	
C=C(CN(C)Cc1ccn2cnnc2c1)B(O)O	2077491799	FAVHYRVLMMGZQM-UHFFFAOYSA-N	246.079	-0.271	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)c2ccccc2B(O)O)C1	2079008903	CNSPAGAFUMYLNJ-KYZUINATSA-N	249.075	-0.726	50	10	BBGE	
OB(O)c1cc(Br)nn1CC1CC1	2209109464	KWPKEPSKVLTCLB-UHFFFAOYSA-N	244.885	-0.265	50	10	BBGE	
Cc1c[nH]c(=NCCCCF)cc1B(O)O	2212606656	XVEXJNDOSNRSCM-UHFFFAOYSA-N	226.060	-0.347	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3C[C@@H]3C2)c1	2212609506	SNANEFOZVPOPNV-MBTKJCJQSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@@H]1CN(C)C2)C(=O)NN	2213954705	JRZMYIIBGWJHNF-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CNC(=O)CCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2215772229	MTQNUCVZPXZIMK-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1CC1(C(=O)NN)CCC1	2216491549	YKZVGNCWIJTGOM-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2nccc(B(O)O)c2F)CO1	2217186915	QKNMEEUQSRFOCO-RNFRBKRXSA-N	240.043	-0.510	50	10	BBGE	
CCNC(C)(C)COc1cc(B(O)O)ccn1	2217192531	ZAWZJYQZQKSWFE-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
NCCCCCOc1nccc(B(O)O)c1F	2217195035	DTCMVFIEKWXBBA-UHFFFAOYSA-N	242.059	-0.592	50	10	BBGE	
OB(O)c1ccnc(NCC2=CCNCC2)c1	2217199791	PAWGEQFFIAOXQA-UHFFFAOYSA-N	233.080	-0.907	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1c1cc(B(O)O)ccn1	2217204061	DSOOUYWOJANLNJ-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
Cc1c[nH]c(=NCCC2(N)CCC2)cc1B(O)O	2223642022	YABKKVHBSROSLC-UHFFFAOYSA-N	249.123	-0.825	50	10	BBGE	
OB(O)c1ccc(NC2[C@H]3CC[C@H]2CNC3)nc1	2223669476	KLZHEHRXBDEUHX-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](O)C3(CCC3)C2)c1	2223669842	PDEQCNBRTVIPMY-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2c1ccc(B(O)O)cn1	2223671201	IWJSHBCVOHIWTK-FGWVZKOKSA-N	247.107	-0.780	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@]23CCCOC3)c1	2223678773	HTWNWLKDPOASKI-JQWIXIFHSA-N	248.091	-0.258	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CCC1	2241479797	ASTAPKXFABPSFE-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
CC(C)C[C@H](NC(=O)NC(=O)CCl)C(N)=O	2242639465	CKDWIRQOPLRTDS-LURJTMIESA-N	249.698	-0.049	50	10	BBGE	
O=C(NCc1ncon1)C1(B(O)O)CCC1	2243348457	XWGVZNVVGXCDLF-UHFFFAOYSA-N	225.013	-0.917	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H](C)O	2243396404	LSZKNBIXAKPGJI-KHONBHQKSA-N	229.085	-0.485	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1csc(B(O)O)c1	2243408146	IBCLOFSPNQUFNT-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
O=C(NCC1=CCNCC1)C1(B(O)O)CC1	2243409786	OXOHFDCRMOCCKJ-UHFFFAOYSA-N	224.069	-0.971	50	10	BBGE	
CC[S@@](=O)CCNC(=O)C1(B(O)O)CCC1	2243411052	MZYSCKWALLSLRT-MRXNPFEDSA-N	247.125	-0.732	50	10	BBGE	
C#CCN(CC#C)C(=O)C1(B(O)O)CCC1	2243411335	RPDNJTQANHZXGI-UHFFFAOYSA-N	219.049	-0.522	50	10	BBGE	
C=CCNC(=O)c1ccc(Cl)c(B(O)O)c1	2243411881	BXOBUZFXURMPTC-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
CN1CC[C@](C)(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243414731	HGQDOYZPFIMVEB-XKSSXDPKSA-N	226.085	-0.940	50	10	BBGE	
COC[C@H](CF)NC(=O)C1CC(B(O)O)C1	2243418065	ZUVRFUCVZUDISI-RRQHEKLDSA-N	233.048	-0.660	50	10	BBGE	
CC(C)(CN1C[C@H]2COC[C@H]1C2)C(=O)NN	2244492513	SDXRFZJOTDYXMQ-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CCOCCOC(=O)NCCC#CB(O)O	2244539427	IIHGPQHWNXUBGF-UHFFFAOYSA-N	229.041	-0.845	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	2247404777	XZMGIIPMVQVMKR-OEZYJKACSA-N	237.303	-0.083	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C(C)C	2247721511	FISTXPLGQWCMEO-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1ccncn1	2247739220	ZCHSKFJMQITTQW-UHFFFAOYSA-N	235.052	-0.164	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2247747905	UXHPWAWEPJADJN-FTLITQJKSA-N	234.064	-0.777	50	10	BBGE	
CCN(OC)C(=O)c1c(F)cccc1B(O)O	2247751666	AAEGCKRFPDXUCN-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@H]1C[C@@H]1F	2247752623	SMCMLHRLNBBRCE-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
CCC(CC)(CN)N(C)C(=O)C1(B(O)O)CC1	2247757582	WSVQRHJNYAYPTR-UHFFFAOYSA-N	242.128	-0.031	50	10	BBGE	
O=C(NCCCC1CC1)c1cc(B(O)O)n[nH]1	2247783522	GSOKSFVNIGBIGM-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
Cc1ccnc(C(=O)N(C)C(C)C)c1B(O)O	2247792170	SHRWLVRQNHHVOZ-UHFFFAOYSA-N	236.080	-0.450	50	10	BBGE	
C#C[C@@H]1COCCN1C(=O)C1CC(B(O)O)C1	2247797063	FXAYTHORZWWZAG-UDNWOFFPSA-N	237.064	-0.900	50	10	BBGE	
CC1CC(CO)(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797257	HSJOACDIYRQOAW-RDDJWAPESA-N	241.096	-0.483	50	10	BBGE	
CC(C)(O)CCCNC(=O)C1CC(B(O)O)C1	2247798342	SNICDDWQVCFVHV-UHFFFAOYSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247798647	WBTSXMPBRZTIBU-FNCVBFRFSA-N	244.075	-0.944	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C	2247800573	QGLFSQKJAHJTSV-BBBLOLIVSA-N	242.128	-0.448	50	10	BBGE	
Cc1ccc(C(=O)NCC2CC2)cc1B(O)O	2247857423	UILFRHQQDSRYGI-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1ccoc1B(O)O	2247868055	PRVCJBPIBPFNCE-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H](F)CNC(=O)c1cccc(B(O)O)c1F	2247871294	YYVDXMMZKNFGEE-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
C#C[C@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247886357	AWTWDJBPCVVSAG-WCABBAIRSA-N	237.064	-0.900	50	10	BBGE	
O=C(NCc1ccncc1F)[C@@H]1C[C@@H]1B(O)O	2247899416	NFFSBJCLHWOBCC-SFYZADRCSA-N	238.027	-0.300	50	10	BBGE	
CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1O	2247985330	GDZWBEQMMQADCH-ZETCQYMHSA-N	237.064	-0.400	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C(C)(C)CC(=O)O	2248579226	VCAHPHAHCNUSGW-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C(=O)O)C1CC(B(O)O)C1	2248590007	XWXCTYYYBVDDFB-CDGKJWJHSA-N	241.052	-0.924	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1cc(B(O)O)co1	2249419689	KGQHJYRECNBVTN-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cocc1B(O)O	2249432706	BLOCZAOZJPIFRE-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
O=C(C=Cc1ccco1)NCCC#CB(O)O	2249997743	AQIVHUOXTXRKSG-UHFFFAOYSA-N	233.032	-0.186	50	10	BBGE	
CC[C@H]1OCC[C@@H]1C(=O)NCCC#CB(O)O	2250003193	UYFWCWQJPWNMEN-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N=c1cc[nH]cc1	2255450085	TVJHMXWUEQFGFS-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC=CCN2)c1	2255513956	AUTBDRPXBLKRSJ-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
Cc1ccnc(C(=O)N(C)[C@H]2C[C@H]2C)c1B(O)O	2255575197	MUTRSHIQBCDLSA-BDAKNGLRSA-N	248.091	-0.450	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CC[C@@H]1C	2255577294	RXVGNYFRVKOELX-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)C1CC=CC1	2255583285	MMNFSSYJNAZIBC-ZETCQYMHSA-N	249.079	-0.826	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]1C1CC1	2255680747	NJIIOEPGJNBCJH-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ccncc1B(O)O	2255693506	RFUMCQFNZFOSJT-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
CCN(CC1CC1)C(=O)c1cncc(B(O)O)c1	2255722799	UGPKZNITIBANLE-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1CC=CCO1	2256604108	AGEPSURWWIBCLT-SECBINFHSA-N	248.047	-0.955	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2258942117	PAIKJACMCYWDGP-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368884	BBAJJYOCYYBAAL-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COC[C@@H]2C1	2298370146	PXOSBQPONXQVOB-KATARQTJSA-N	239.080	-0.656	50	10	BBGE	
C[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370708	IIEHLAFLLZVLIL-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375290	DFMDPBGAXACIBS-YIZRAAEISA-N	240.112	-0.565	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCCN1	2298376045	FIPQIJRQPHKBIL-KKZNHRDASA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@@H]1C[C@@]12CCOC2)[C@@H]1C[C@H]1B(O)O	2298377569	WDOQXQFEFOAYAF-YSSBGUOXSA-N	239.080	-0.608	50	10	BBGE	
CC[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463502	HKUUCBONKMIKRB-DHCFDGJBSA-N	241.052	-0.781	50	10	BBGE	
CC(C)(C)[C@H](N)CNc1ncccc1B(O)O	2300055984	WSNBVKPWJTZRQQ-SECBINFHSA-N	237.112	-0.453	50	10	BBGE	
C[C@@H]1CCC[C@@H](COCCOCC(=O)NN)O1	2301070902	HTNFJALPHOEZCN-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1[C@@H](Oc2ncncc2B(O)O)CC1(C)C	2302112284	RWKIYVXVBSMURZ-APPZFPTMSA-N	236.080	-0.030	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N[C@H]2CCOC2)C1	2303167214	LZLGVYUUBFVCNO-WCBMZHEXSA-N	242.084	-0.576	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)[C@@H]1C	2304202683	FPSKDJGOZKBDLZ-RGOKHQFPSA-N	245.323	-0.918	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@@H]1O2	2310071564	FIJLIGDGWVDDEI-GDPRMGEGSA-N	249.075	-0.904	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cocc1B(O)O	2313081421	KKXOCRRUYSRXJU-VHSKPIJISA-N	247.059	-0.346	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Nc1cc(B(O)O)ccn1)CO2	2315939080	QGTOWVKUSPDGGC-UISBYWKRSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCO[C@@H]2C[C@@H]21	2317168788	YRCNLIIXDAFFFJ-NWDGAFQWSA-N	244.059	-0.784	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)C[C@H]2CN[C@H]1C2	2317204822	YDMIGARLMGMJDU-PEXQALLHSA-N	248.091	-0.719	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1Nc1ncc(B(O)O)cn1	2321007801	DOXOIBRWHLAVNW-WPRPVWTQSA-N	249.079	-0.841	50	10	BBGE	
O=C(OC[C@@H](O)CO)C(Cl)Cl	5131790	CVGDIEOKTJTGQW-VKHMYHEASA-N	203.021	-0.314	50	10	BBGE	
COC(=O)/C(C#N)=C1/CC[C@H](C(=O)O)N1	38997143	RSMFGTDOIQUYMZ-KXTMECRCSA-N	210.189	-0.226	50	10	BBGE	
NCCC(=O)NNC(=O)COc1ccccc1	49828528	QQLAMIFVVQWFFN-UHFFFAOYSA-N	237.259	-0.438	50	10	BBGE	
CCOCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	82463455	MGUVBXFULOSCGO-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
C[C@H]1COCCN1CCCCC(=O)NN	82467551	JDGXBUKQVHAHDN-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@@H](C)COC	82469494	POHKTOLFIBKHRY-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCC[C@@H](O)C1	111236937	UYYNLCGFDQBXRM-MRVPVSSYSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCOC[C@@H]1C(N)=O	129323474	FZIUPXBZBYWIPW-NKWVEPMBSA-N	234.683	-0.426	50	10	BBGE	
CC1(C)COCCN1Cc1ccccc1B(O)O	199011547	SIWVPOSKNCQOMD-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\NCCO	216809477	BRTAWPFBJKHRBO-HJWRWDBZSA-N	227.264	-0.872	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](CO)C1	226494586	GISAYPOXYAWYTN-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCCCCO	227147589	XAPKJYMTCGYMFC-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
Cn1cc(CCOc2ccc(B(O)O)cc2)cn1	230766863	GGGGKLRZRMXPIC-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
CCCCNC(=O)NNC1=NCCCN1	238230016	ZXPSAPIXGNAJBW-UHFFFAOYSA-N	213.285	-0.060	50	10	BBGE	
CC[C@@H](/C=N/NC(N)=O)[C@](C)(O)C(=O)O	238296491	OXQLQXWQNCPHBO-VAKFINAWSA-N	217.225	-0.498	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1CO	251227063	OYVUSDONYSLLGJ-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@H]1N(C)C	251844707	QVGAPOBGGPWOHI-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CNNC(=O)[C@H](N)c1ccc2[nH]cnc2c1	259082428	OKLFCJRAXLABAV-SECBINFHSA-N	219.248	-0.187	50	10	BBGE	
CO[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@H]1OC	300045472	LIJPGPGLHKYVIE-OPRDCNLKSA-N	245.323	-0.654	50	10	BBGE	
NC(=O)NNC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	300374354	ONZVVHNOYDPXMJ-VWDOSNQTSA-N	209.249	-0.022	50	10	BBGE	
CC(C)NC(=O)CSCC(=O)NN	300817914	IHRSTGPKNPXDMP-UHFFFAOYSA-N	205.283	-0.766	50	10	BBGE	
CC(=O)Cc1cccc(S)c1B(O)O	307102546	AJCWCWVFFWVWPK-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
CC[S@](=O)N1CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	307286398	QYKWNNRRQXNWHE-SOBLTARESA-N	231.273	-0.309	50	10	BBGE	
COC(=O)[C@H](CO)NCCBr	307879490	XJDWDIPRKURZFX-YFKPBYRVSA-N	226.070	-0.495	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@H]1CCOC1	308979075	DDPZOBPVGUOAMX-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](N)C(=O)NNC(=O)c1ccccn1	309239671	AFZOHDMZKRYYAB-SSDOTTSWSA-N	222.248	-0.420	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)[C@@H](C)N	309402538	HPEWSVVGEFQBMT-RXMQYKEDSA-N	211.221	-0.304	50	10	BBGE	
COc1cc(B(O)O)cc(C2CCNCC2)c1	382636441	DQEJGHITNFDCMU-UHFFFAOYSA-N	235.092	-0.158	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)CC1	395594199	OMOHSAZMPKPRDO-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(B(O)O)c(CO)c1	396058587	NREJNZMBGFEKFY-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
O=C(O)c1cc(O)cc2c(B(O)O)csc12	396388553	ULNDSZKHPYFHRN-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)CCC(=O)NN	399993451	VLJWUKHYQLUWRS-NXSYQRQQSA-N	221.326	-0.935	50	10	BBGE	
CO[C@H](C)C(=O)Nc1cc(B(O)O)ccc1C	404954395	VMQXSZCOBHHPPC-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccc[nH]1	405030692	OYXOGMXVAWKACQ-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1B(O)O	405053349	JRJAHOSFOJTKFF-KOLCDFICSA-N	247.103	-0.019	50	10	BBGE	
O=C(CBr)N[C@@H]1CCOC[C@@H]1O	575588943	KSUWFFNJYDDJMG-RITPCOANSA-N	238.081	-0.353	50	10	BBGE	
C[C@H]1CCCN(CC(=O)NN)[C@H]1CO	688740759	WWFJJIRNVHDCQM-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CN(C)C)C1	689161070	WISJCDIDWDNWJQ-HBNTYKKESA-N	242.367	-0.116	50	10	BBGE	
COc1ccc(C2(CO)CC2)cc1B(O)O	694857447	VHFQIVRRPMLFGD-UHFFFAOYSA-N	222.049	-0.601	50	10	BBGE	
Cn1nnc(C(=O)N2CCOC[C@@H](Cl)C2)n1	697207348	IFEUFOLVMLOOKM-LURJTMIESA-N	245.670	-0.710	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)C[C@@H]1C	706206929	LNHIYTPNOCKRPA-XHNCKOQMSA-N	215.297	-0.400	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	709678455	KRATUPAZTNQDQE-XVKPBYJWSA-N	235.048	-0.660	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)NCc1ncc(B(O)O)s1	714577900	RGBONIJMQWMZQD-PHDIDXHHSA-N	240.093	-0.905	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(N)=S)C1	718477013	FJRDZUORCBQTIR-RFZPGFLSSA-N	203.267	-0.724	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC(=O)O1	724603818	JIEISSRPCGAUHL-HRDYMLBCSA-N	241.243	-0.824	50	10	BBGE	
CC1=NCN=C1CNS(=O)(=O)CCl	725595456	PJAMKXGZIJEJRG-UHFFFAOYSA-N	223.685	-0.025	50	10	BBGE	
CCO[C@@H](CC)C(=O)NNC(=O)c1cnn[nH]1	729457251	GVIGDIUTMFJOAV-ZETCQYMHSA-N	241.251	-0.619	50	10	BBGE	
CCCNC(=O)NNC(=O)Cc1ccon1	746170921	MGSHVYBOOMJVKU-UHFFFAOYSA-N	226.236	-0.043	50	10	BBGE	
O=C(CO)NNC(=O)COc1ccsc1	800695545	QSDWJWGBHHWXLB-UHFFFAOYSA-N	230.245	-0.733	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=C2CCCOC2)N1	863148437	BWXXBJKKHNNCPU-MRVPVSSYSA-N	225.248	-0.452	50	10	BBGE	
CC[C@H](NC(C)=O)C(=O)NNC(=O)NC(C)C	865041841	HJVQSGQWNBTHMI-QMMMGPOBSA-N	244.295	-0.360	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CCCCO)O1	869425177	QWSMNIPEBXQPLG-RKDXNWHRSA-N	244.291	-0.136	50	10	BBGE	
COC(=O)NNC(=O)c1nn(C)cc1[N+](=O)[O-]	1116604572	ROGNKAHDRMNRGZ-UHFFFAOYSA-N	243.179	-0.671	50	10	BBGE	
CN(NC(=O)c1cnc2[nH]ncc2c1)C(N)=O	1151331283	SKQDMXKUJVVSOH-UHFFFAOYSA-N	234.219	-0.387	50	10	BBGE	
CON=CC(=O)NCCSS(C)(=O)=O	1152961024	WBNNBKFIACOMQH-UHFFFAOYSA-N	240.306	-0.572	50	10	BBGE	
O=C(CC1COC1)NNC(=O)[C@@H]1CCCCO1	1334154017	IBGXYMQWJALJKY-VIFPVBQESA-N	242.275	-0.261	50	10	BBGE	
CCn1cc(CC(=O)NNc2cccnn2)nn1	1446663995	ZGULDRYKUAHICQ-UHFFFAOYSA-N	247.262	-0.226	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1cn(C)nn1	1464537747	FLNFVVULUBLDAH-UHFFFAOYSA-N	240.267	-0.950	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C1=C[S@](=O)CCC1	1468765493	VRQCUPICAUCADY-VPTHRUTESA-N	246.332	-0.243	50	10	BBGE	
Cc1cc(=NNC(=O)[C@H]2C[C@H]2C(N)=O)cc[nH]1	1585314161	UMYGYOPEXKQBAT-BDAKNGLRSA-N	234.259	-0.624	50	10	BBGE	
O=C(O)CONC(=O)[C@@H]1C[C@@H]1Br	1877347930	SDPKVKXUCMIQID-DMTCNVIQSA-N	238.037	-0.098	50	10	BBGE	
Cn1nnc(=NC(=O)[C@@H]2C[C@@H]2Br)[nH]1	1877410580	WOQZLUGMFSNMPO-DMTCNVIQSA-N	246.068	-0.646	50	10	BBGE	
NC[C@H]1C[C@@H]1NC(=O)/C=C/C(=O)Cl	1883647379	LQBKKDLSDVHMGF-GONBATFASA-N	202.641	-0.229	50	10	BBGE	
CN1CCC(OCCC(=O)NN)CC1	1894990976	HYFIMWZCIVDQKX-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CCC2)CCNC1	1904618599	YZKDJKHYAMWZTL-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CC12CCOCC2	1905722236	GSLVNGOWBDLAMT-MRVPVSSYSA-N	241.291	-0.464	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1908493026	AQYPXWOPHCQVHU-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
CCC1CC(Cn2cc(B(O)O)cn2)C1	1910325875	REMNCGMWYWGLFP-UHFFFAOYSA-N	208.070	-0.001	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@]2(CO)C1	1910380009	ZXLBQASYOQUFJO-IONNQARKSA-N	249.261	-0.684	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914017398	CXMUBDQLVYVKGE-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
N#CCCNC(=O)NNC(=O)C(F)(F)F	1923410712	WXNPGPFKLLXVQJ-UHFFFAOYSA-N	224.142	-0.207	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN(CC(=O)NN)C[C@@H]21	1927768557	MCZRZKRMOADARQ-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)[C@@H](C2CC2)C1	1929071093	FSAMXLBGGJZROB-RKDXNWHRSA-N	213.281	-0.931	50	10	BBGE	
C[C@@]12C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	1932250821	YWSCSLCRZLAKTC-SVRRBLITSA-N	219.235	-0.047	50	10	BBGE	
O=C(CBr)NC[C@H]1COC[C@@H]1O	1933390750	YWFLVKOPERXVIQ-WDSKDSINSA-N	238.081	-0.495	50	10	BBGE	
CCO[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936083596	JCYOGNRNRKRYKA-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	1936095510	XUXNOBUVKRFNPX-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C(=O)C1	1936532553	WVDJOBGWLLNCSM-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C(F)(F)CC1	1937575621	DVOWQRQWNHIXMG-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COCC[C@H]21	1941371942	FWRIWRSWZPSLFF-GWOFURMSSA-N	239.319	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1CCN(OC)CC1	1942616772	SOCULESYDJATGC-SNVBAGLBSA-N	244.339	-0.288	50	10	BBGE	
NNC(=O)C1(Cn2ccn(C3CC3)c2=O)CC1	1945883775	FPOMLIQPUVJUBM-UHFFFAOYSA-N	236.275	-0.245	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@H](O)C#N)o1	1952957125	UAXXPBVWMIIEAH-SVGQVSJJSA-N	210.189	-0.050	50	10	BBGE	
NC(=O)[C@H]1CCN1C[C@H](O)CBr	1953619098	ZOJSOBUHKLXMSI-PHDIDXHHSA-N	237.097	-0.698	50	10	BBGE	
CC(=O)NNS(=O)(=O)CC1(C#N)CC1	1957286661	JDEANHJFTAESCD-UHFFFAOYSA-N	217.250	-0.739	50	10	BBGE	
N#CC1=CCN([C@@H]2C[C@H](N)C[C@@H]2O)CC1	1960368926	YWIIHIOUOYKQPX-AXFHLTTASA-N	207.277	-0.007	50	10	BBGE	
CC1(C)C[C@@H](O)CCN1CCC(=O)NN	1961239483	KCOWDYQCOBMYDA-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	1976757991	JTTIQFLUVSHXKC-BWZBUEFSSA-N	227.264	-0.950	50	10	BBGE	
CN(C)C1(C)CN(CC(C)(C)C(=O)NN)C1	1976832255	FKWVTRPGZXOBOX-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@H]2CC[C@@H]21	1980230130	YVNQJFVTBRFCFV-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)CN1CCCN(C2CCC2)CC1	1980651145	WNPHKFUCMFOQNW-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
O[C@H](CCl)CN1CCN([C@@H]2CCOC2)CC1	1981053734	NCLQXULPWOGQCZ-GHMZBOCLSA-N	248.754	-0.007	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@H]3C2)nc1	1981408680	CZMYFHMVUZSQEM-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
CON(c1ncccc1B(O)O)C1CCC1	1981422226	LRSSQZXHLJYXSE-UHFFFAOYSA-N	222.053	-0.318	50	10	BBGE	
Cc1cnc(-n2ccnc2C)c(B(O)O)c1	1981466650	ZFMXNLLWGQKQLE-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)NN	1982259885	DYVXBQJDIJXCQI-QEYWKRMJSA-N	227.308	-0.563	50	10	BBGE	
C#C[C@H](CCl)N=c1nc(OC)[nH]c(OC)n1	1983015475	IXRUKQFKOXFSBS-ZCFIWIBFSA-N	242.666	-0.037	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cnsc1C(=O)NN	1985742954	NLPBRHQJFBXBRB-VDTYLAMSSA-N	242.304	-0.688	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1CCCCC(=O)NN	1989120372	YPBBCPORGFQBKO-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC(C)(C)[C@H]1COCCN1C(=O)C(=O)NN	1989442551	RSIRXZZNMLZICU-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
Cn1cnnc1CCNC(=O)C=CC(=O)Cl	1991655380	VNJPJVQYRXXGAA-UHFFFAOYSA-N	242.666	-0.205	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1O[C@H]2C=C[C@H]1CC2	1992326959	REOSIGTZXJAELJ-KATARQTJSA-N	223.276	-0.053	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@](F)(CO)C1	1995937770	OGCKWNMVOCSYTF-KOLCDFICSA-N	247.314	-0.059	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@@H]1CN2CC[C@H]1C2	1996734733	SKGRYENHXASMBN-JGVFFNPUSA-N	248.277	-0.753	50	10	BBGE	
CN(C)C[C@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1996853820	SRWOCNYPEYVVJO-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)[C@H]1C[C@@H]2C[C@@H]2C1	1998126357	RSBXKABSZABSMA-YWIQKCBGSA-N	241.052	-0.925	50	10	BBGE	
C[C@]12CN(CC(F)(F)C(=O)NN)C[C@@]1(CO)C2	2001046450	OZOBHADLIFWBMZ-DTWKUNHWSA-N	249.261	-0.684	50	10	BBGE	
COc1cc(C(=O)NNC(N)=O)cc(OC)n1	2001918322	MIXDMXGNYGCZNM-UHFFFAOYSA-N	240.219	-0.588	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)CC[C@H]1CO	2001925563	HNTQDQBBMZIKKN-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)COCCN1CC2(CCC2)CC1=O	2003927348	XTXHJYZQWVAKFF-UHFFFAOYSA-N	241.291	-0.605	50	10	BBGE	
Cc1nc(N(C)CCC2CC2)ncc1B(O)O	2004973988	CZYVABCVJHUBCW-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC2(CC(O)C2)C1	2005810663	VEJFSFTWZYNKSJ-YZRBJQDESA-N	241.335	-0.152	50	10	BBGE	
CN(CCCCC(=O)NN)CC1[C@H]2COC[C@H]12	2006196637	BFBWADICHKSAHX-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1[C@H](Cn2cccc(B(O)O)c2=O)C1(F)F	2008844530	ORYMBXFEHMBVIJ-RQJHMYQMSA-N	243.018	-0.571	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2cccc(B(O)O)c2=O)O1	2008844637	QLWYJFVGAOHUGJ-IUCAKERBSA-N	237.064	-0.904	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)no1	2020056311	JTCXVXHEGSNKKH-QMMMGPOBSA-N	236.036	-0.186	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1C[C@H]2C[C@H]2C1	2020062267	PNHJCGRTWQFKOK-KHQFGBGNSA-N	236.080	-0.252	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCC=C1B(O)O	2020068244	PGETWVVMYNSYEE-SZEHBUNVSA-N	239.080	-0.372	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]2C2CC2)n1	2052618718	VNCGQQRKUMVEGY-JTQLQIEISA-N	247.107	-0.238	50	10	BBGE	
Cc1ccc(Cn2cccc(B(O)O)c2=O)cc1	2058154967	ICMQHRCOWMBQFO-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
N#Cc1c(B(O)O)ccc(C(F)F)c1C=O	2060230423	MJVQHWDERSDQRP-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
NNC(=O)C1(CN2Cc3ncnc(O)c3C2)CC1	2085235124	KUXGDXDPAXYLST-UHFFFAOYSA-N	249.274	-0.732	50	10	BBGE	
CN1CC[C@@H](OCc2ccc(B(O)O)s2)C1	2211079267	NYYORKVQBJOLGX-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
COC(=O)CCSc1ccc(B(O)O)cn1	2212601798	TVRLLIULKHCDCX-UHFFFAOYSA-N	241.077	-0.583	50	10	BBGE	
CCNCCN(C)Cc1cccc(B(O)O)c1	2214605633	NMIMCNHYNOXAGD-UHFFFAOYSA-N	236.124	-0.592	50	10	BBGE	
CC(C)[C@H](Nc1ncc(B(O)O)cn1)C(F)F	2217172268	IRYHBFLAPBJYKW-ZETCQYMHSA-N	245.038	-0.142	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Nc1ccc(B(O)O)cn1	2217181908	WZCJMELDSSSYOZ-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(NCC2(C)CNC2)cc1B(O)O	2217184729	VSXPBULPQAFADP-UHFFFAOYSA-N	235.096	-0.909	50	10	BBGE	
NC[C@@H](COc1ccc(B(O)O)cn1)C1CC1	2217188837	UMMNEUJJUPVUOP-VIFPVBQESA-N	236.080	-0.875	50	10	BBGE	
CC[C@@H](N)[C@@H](CC)Oc1ccc(B(O)O)cn1	2217191267	IWOMNFVHINININ-NXEZZACHSA-N	238.096	-0.344	50	10	BBGE	
CC(C)C[C@H](CO)Nc1ncccc1B(O)O	2217198307	ZLGHMOCBSGUABW-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCC[C@H]1O	2217205394	YJJPOTJHWGEIJK-VHSXEESVSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](O)CCC23CC3)c1	2223637830	HOXCARAJVMMWFN-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CO[C@H]3C[C@@H]2C3)c1	2223640976	ZZSHFEYQABRTTF-KKZNHRDASA-N	248.091	-0.402	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1Nc1ncccc1B(O)O	2223643173	SGRWCDNFZDEFSC-PSASIEDQSA-N	249.123	-0.453	50	10	BBGE	
Cc1cnc(NCc2cncnc2)cc1B(O)O	2223646686	OETBHQYLYGBPQO-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@H]3CC[C@@H]32)nc1	2223651560	XUNVMDSXXBSMLQ-DCAQKATOSA-N	248.091	-0.889	50	10	BBGE	
O=C(NCC(Cl)Cl)C1(B(O)O)CC1	2241478435	FEIVEWIMOZIUOX-UHFFFAOYSA-N	225.868	-0.087	50	10	BBGE	
NCC1(OC[C@@H]2C[C@@H]2Cl)CS(=O)(=O)C1	2241505098	ZZBHFRSEFZYVGF-BQBZGAKWSA-N	239.724	-0.244	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC2(CC2)C1	2243350191	XGRNXPFVFZADAK-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2CCC[C@H]21	2243361588	DCWNYKPRQNVGDN-OPRDCNLKSA-N	221.065	-0.303	50	10	BBGE	
O=C(N1CC2CC1(CF)C2)C1(B(O)O)CC1	2243364343	VOPKHGXSBMGNRY-UHFFFAOYSA-N	227.044	-0.046	50	10	BBGE	
N[C@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2243392090	RDOXOQHWEVUWOI-HACHORDNSA-N	226.085	-0.811	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCOC1(C)C	2243398646	GHXLLQIPVBJORI-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1SCCC[C@H]1N(C)C(=O)C#CB(O)O	2243399643	OJMDMJGPFRLQFS-DTWKUNHWSA-N	241.121	-0.256	50	10	BBGE	
O=C(C#CB(O)O)NC12CCC(CC1)CC2	2243399698	PAJNPSZYGGBSCS-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
CCOC[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420057	LWBDJJFXLUWQIG-CIUDSAMLSA-N	229.085	-0.219	50	10	BBGE	
CC=CC(=O)Nc1ncc(B(O)O)cc1F	2243685873	CYGXTOHTWNBLHJ-UHFFFAOYSA-N	224.000	-0.585	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@H]1Cl	2243713366	UXACTKSKHICWSO-PHDIDXHHSA-N	240.455	-0.673	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)C(=O)NN)C1CCC1	2244881655	IUZAITUFPUIJBO-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)c(Cl)cn1	2245913223	OFKCMDYZECRZTI-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
CCC=C1CN(C(=O)c2coc(B(O)O)c2)C1	2247734600	TXZKQMJAUHHPHA-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@]12CCCN(C(=O)C#CB(O)O)[C@H]1COC2	2247741168	VVIHQWMMSIPCER-GXSJLCMTSA-N	237.064	-0.971	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247743005	XOEJLPIHRSWTPD-QMMMGPOBSA-N	233.032	-0.899	50	10	BBGE	
C=CCN(CCC)C(=O)c1cc(B(O)O)c[nH]1	2247747083	ISEGGLDJYHTHIN-UHFFFAOYSA-N	236.080	-0.267	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1cc(B(O)O)c[nH]1	2247747165	JWVCWNJMPNLULF-MRVPVSSYSA-N	234.064	-0.610	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2247748215	ZKTKMJRMMGMDGY-SECBINFHSA-N	234.064	-0.515	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@@H]12)C1(B(O)O)CC1	2247753775	CLBJEUAUBFMEPD-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CCCCN(CCO)C(=O)C1CC(B(O)O)C1	2247797400	JAWFQURVUFBTTR-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
CCOC1CC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797553	KUHDUMPMNJPRFF-BMNUFHGDSA-N	241.096	-0.219	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1F	2247800991	VWANVMTVRKQLSV-GEPGNKONSA-N	245.059	-0.565	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247803669	CHMMVPGBZOIIII-RGOKHQFPSA-N	241.096	-0.531	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cncc(B(O)O)c1	2247873407	BHDAYUCZNOJUPF-QMMMGPOBSA-N	234.064	-0.687	50	10	BBGE	
O=C(NC[C@@]12CC[C@H]1CNC2)C1(B(O)O)CC1	2247873608	KIEIPPSXJRUIKO-WPRPVWTQSA-N	238.096	-0.891	50	10	BBGE	
NC1CCC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247899141	KSTBEKYGHUHFLS-BMNUFHGDSA-N	240.112	-0.517	50	10	BBGE	
CCN(C)C(=O)c1cc(F)c(B(O)O)cc1F	2247941851	LIGACASILHPFBI-UHFFFAOYSA-N	243.018	-0.264	50	10	BBGE	
C=C[C@@H]1COCCN1c1cc(B(O)O)ccn1	2249039583	SIIGATXPULXRJU-SNVBAGLBSA-N	234.064	-0.847	50	10	BBGE	
CC(C)OCCNC(=O)c1cocc1B(O)O	2249417577	HZKRGYMBOVYBTB-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
Cc1nc(C)c(C(=O)NCCC#CB(O)O)o1	2250001026	QPAKQRXPAZYAPR-UHFFFAOYSA-N	236.036	-0.573	50	10	BBGE	
C[C@H](O)CN(C(=O)C1(B(O)O)CC1)C1CCC1	2250601091	VSLXBTFONAZGDV-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
OB(O)c1ccnc(OC2(C3CC3)COC2)c1	2250779034	PWAFLUKYDVJRRX-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1coc(B(O)O)c1	2255443741	DCUHSTYKQWCIEG-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1C[C@@H]2C[C@H]2C1	2255463227	GLPCWWUVGCMAJV-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
COc1cccc([C@@H](C)NC(=O)C#CB(O)O)c1	2255469867	VNBWVSMAFJANDF-SECBINFHSA-N	247.059	-0.112	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1CC12CC2	2255510347	VWCBYOMHRWDHEW-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@@H]2CCC[C@H]21	2255521531	XMCTUNNFLZYTAH-WCBMZHEXSA-N	246.075	-0.614	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1ccoc1B(O)O	2255715539	HIQBYISKNPNLQS-PELKAZGASA-N	249.075	-0.121	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255736409	MVVAUPAIMDZJTJ-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258128644	RKDYYTUBVJQVII-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
C#CC1(NC(=O)Nc2ccc(B(O)O)cc2)CC1	2258953501	CJHFACDINUQYSE-UHFFFAOYSA-N	244.059	-0.346	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2258960587	ICOMPAZBWQYJQG-YBXAARCKSA-N	247.103	-0.200	50	10	BBGE	
Cc1ccc(CNC(=O)N2CCC2)cc1B(O)O	2264092065	AXZWZZIAZOSRMJ-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370635	FHZRNSVBCCPSLF-FNCVBFRFSA-N	240.112	-0.791	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377437	REGGYBBBXXZLBG-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
CN1CCC[C@@H]2CCN(CCC(=O)NN)C[C@H]21	2299137367	PRTZNBIDDCUZAP-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@H]1C[C@@H]1C(=O)NN	2299337641	JYGDPDBWOIFCND-RCWTZXSCSA-N	239.319	-0.376	50	10	BBGE	
C#CCCCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2300778313	FAIXUHROVOEINX-HAQNSBGRSA-N	238.287	-0.045	50	10	BBGE	
CN[C@@H](C)COc1ccc(B(O)O)cc1C#N	2301341545	QHJBYVVQZLFRKA-QMMMGPOBSA-N	234.064	-0.775	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2CCCOC2)C1	2303104900	MNBJIRMYGSCNKX-MWLCHTKSSA-N	241.096	-0.122	50	10	BBGE	
C[C@@H](CN(C)C)Nc1cc(B(O)O)c(F)cn1	2303835841	CXONWWCERWYRSJ-ZETCQYMHSA-N	241.075	-0.738	50	10	BBGE	
C[C@@]1(COc2cc(B(O)O)c(F)cn2)CCN1	2303852371	LLSCUXZNZINASG-JTQLQIEISA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCCO2)ncc1F	2303852373	LMEVLJVAFHUVGF-SSDOTTSWSA-N	241.027	-0.542	50	10	BBGE	
Cc1cccc(NC(=O)NC2CC2)c1B(O)O	2307514414	JBIVFPWHNAHLPJ-UHFFFAOYSA-N	234.064	-0.041	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)c[nH]1	2312848115	NOPPZCFNENCSQP-WEDXCCLWSA-N	248.091	-0.387	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1c[nH]nc1B(O)O	2313184598	INAVGXOZNVUITM-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
O=C(O)C=CCN1C[C@H](Cl)C(=O)NC1=O	2316776170	WKSDGLBUDNKKTE-YFKPBYRVSA-N	232.623	-0.214	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2318348852	VCIOERRDXGMUSI-GDPRMGEGSA-N	248.091	-0.625	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@](C)(B(O)O)C2)ncn1	2319680438	PXOOPCLFYFJNGH-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
C[C@@H]1CCCN(S(=O)(=O)CCC(=O)NN)C1	41303666	SGZBTXYWAIWCIK-MRVPVSSYSA-N	249.336	-0.572	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)C(C)(C)C	58849533	PYZCWPYQTRKGNU-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	73110402	CKVMLCFOSZGEHX-HLTSFMKQSA-N	241.291	-0.737	50	10	BBGE	
CCCN(CCO)[C@H](CC)C(=O)NN	82469871	LIDNYZGSJPALIP-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CN(CCCC(=O)NN)CC1CC(O)C1	84453488	QKZHXJQZQBLOKM-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1ncnn1C	128059594	OUWAFRMLEURPPC-RXMQYKEDSA-N	215.282	-0.324	50	10	BBGE	
O=[N+]([O-])/C=C(/NCCO)NCCCl	138950007	ZXVOITBNEIDDTK-AATRIKPKSA-N	209.633	-0.528	50	10	BBGE	
CC1(C)C(=O)N(C[C@@H](O)CCl)S1(=O)=O	157850338	XEXBNIGYKKGYPU-YFKPBYRVSA-N	241.696	-0.463	50	10	BBGE	
Cc1cn(C[C@@H](O)CCl)c(=O)[nH]c1=O	197317919	NIJCBHRWPGNMEP-LURJTMIESA-N	218.640	-0.555	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2cccn2)c1	203581814	LWJFGZUIRIMFGG-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
CCN(C=O)CCc1cccc(B(O)O)c1	208608172	BRGSLNCSZOEUGV-UHFFFAOYSA-N	221.065	-0.613	50	10	BBGE	
NC(=O)CCCCNS(=O)(=O)CCCl	230095665	NQOWKTUHEYJCNW-UHFFFAOYSA-N	242.728	-0.200	50	10	BBGE	
N#Cc1cc(B(O)O)c(Br)cn1	238615950	JYLHJXBAOIPDFB-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@H]1CO	299917777	YNMHHRCHPNCXJY-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
O=S1(=O)N=C2CCCN2[C@@H](CCl)N1	306147728	ATPUNMWSMSRWQF-LURJTMIESA-N	223.685	-0.106	50	10	BBGE	
NC(=O)NNC(=S)NC1CCCC1	306723900	HUBTXHPLMVETSB-UHFFFAOYSA-N	202.283	-0.024	50	10	BBGE	
Nc1c(O)sc2c(B(O)O)cccc12	306765228	ZRFRGSJPXYWKRG-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1NOC[C@H]1N1CC[C@@H](Br)C1=O	306836455	UMXHDSDJTCRVGJ-RFZPGFLSSA-N	249.064	-0.588	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)N[C@H]1CSC[C@H]1C	309399858	HFNULUUMJRKORN-FJXKBIBVSA-N	245.348	-0.117	50	10	BBGE	
NC(=O)CC1CN(C(=O)NC(=O)CCl)C1	382196499	OXPBTGWPNYUZLM-UHFFFAOYSA-N	233.655	-0.731	50	10	BBGE	
CCC1(O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	384134279	LWBJDKNMHZVZDP-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
NCC(=O)OCCOCCBr	385790547	HJUUJPOPYDUUFN-UHFFFAOYSA-N	226.070	-0.100	50	10	BBGE	
COc1cc(CC(=O)CCl)ccc1B(O)O	396026792	WOCBWEQLAJENGC-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
CCc1cc(CCC(=O)O)cc(B(O)O)c1	396059603	QPFJVFSGDFOFKZ-UHFFFAOYSA-N	222.049	-0.054	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@H](CC)O1	398749699	WRMVHJWAOURVKE-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@@H]1O	399953575	YSIVERVKSYCRDN-JLIMGVALSA-N	229.324	-0.296	50	10	BBGE	
CC(C)[S@@](=O)Nc1cc(B(O)O)ccn1	404839102	ZENXJLMKVGUNQV-OAHLLOKOSA-N	228.082	-0.755	50	10	BBGE	
C#CCCC(=O)Nc1ccc(B(O)O)cc1	404933082	ARMAPZDFOJEWDX-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1ccnc(B(O)O)c1	405002614	KYTJOUNUYXIYOF-QMMMGPOBSA-N	236.080	-0.008	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(B(O)O)c1	405004670	OHGIFKCFQHNUPO-BXKDBHETSA-N	247.103	-0.019	50	10	BBGE	
CCNC(=O)Nc1ccc(B(O)O)c(F)c1	405063127	FVWJVEPPXKFXLJ-UHFFFAOYSA-N	226.016	-0.353	50	10	BBGE	
O=C1NCCN1C[C@H](O)CBr	575456128	CUWKSIBGYKJEDL-RXMQYKEDSA-N	223.070	-0.233	50	10	BBGE	
CC[C@H](C)OC(=O)C[S@](=O)CC(=O)NN	586371401	PZVGIXCRFCPWAE-WDDATRMLSA-N	236.293	-0.933	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1C(=O)OC[C@H]1O	675079972	KGDMOYQOMNYRGF-UOWFLXDJSA-N	207.613	-0.984	50	10	BBGE	
CO[C@@H]1CC[C@@H](C)N(CC(=O)NN)C1	687214053	XWERLVRZSMLMSV-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@H](C)C(=O)NN)C1	689045451	BBQORHFZQINKGM-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CO[C@@H](C2CC2)C1	691781238	UIZWOMUHRWIPFV-FKTZTGRPSA-N	227.308	-0.136	50	10	BBGE	
N#CC1(O)CCN(Cc2ccnc(N)n2)CC1	692085318	LNWKEEGGXATSLY-UHFFFAOYSA-N	233.275	-0.091	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CCO	697208953	RQSGBNPXINWOEF-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@H](C(=O)O)N1C	703468900	GZIJJXKCHFLGAH-RNFRBKRXSA-N	215.253	-0.873	50	10	BBGE	
CCn1nnnc1S[C@@H](C)[C@H](C)C(=O)NN	707107372	PHKHCGCJBWDYFK-WDSKDSINSA-N	244.324	-0.200	50	10	BBGE	
CS(=O)(=O)N[C@H]1COCC[C@H]1Cl	711014142	GWHBDMWHWCBXBV-RITPCOANSA-N	213.686	-0.068	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](CF)C1	711429484	GQYJAZAHJYHXDT-ZCFIWIBFSA-N	203.217	-0.816	50	10	BBGE	
C[C@@H](CSc1nc(O)cc(O)n1)C(=O)NN	716516685	IUQQZIRAZDMYNZ-BYPYZUCNSA-N	244.276	-0.394	50	10	BBGE	
O=S(=O)(CCl)N[C@@]12COC[C@H]1C2	718111188	KUWLBDPARMCBRZ-RITPCOANSA-N	211.670	-0.109	50	10	BBGE	
C[C@H](CN1C[C@H]2COC[C@H]2C1)C(=O)NN	718163291	YCZCAYNHNGBTBT-HLTSFMKQSA-N	213.281	-0.809	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)c1cnc[nH]1	729535384	CFBVKEIOHYNSTM-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)Cc2ccon2)n[nH]1	763120903	WXSSDYTZYNQFPR-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CC[C@@](C)(OC)C(=O)NNC(=O)c1cnn[nH]1	795081270	OUYRMYYSZLXDBM-SECBINFHSA-N	241.251	-0.619	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C(=O)C[C@@H](C)O1	829144885	WOWXKADNVMWLRD-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1	854180248	KKHIVJICTKXBDL-JIGDXULJSA-N	210.233	-0.564	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	911503710	VQNLGWPZRFXDSR-FNIGLHSCSA-N	242.275	-0.504	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)cn1	913807315	CQKYVENOIJDFRX-RQJHMYQMSA-N	238.222	-0.215	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccn(C)c1=O	1116051193	KSHQOXRYPIEZDX-UHFFFAOYSA-N	238.247	-0.651	50	10	BBGE	
O=C1NCCO[C@H]2CCCN(C(=O)CCl)[C@@H]12	1348502125	IWAUVCNMFIAVDT-IONNQARKSA-N	246.694	-0.269	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc(CO)nc1	1542343438	LTVJKSRAJQZJNN-UHFFFAOYSA-N	238.247	-0.462	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CC1COC1	1627565814	NXTBTPHSSRTYHC-SSDOTTSWSA-N	202.254	-0.633	50	10	BBGE	
CN(NC(=O)c1nc[nH]c2nccc1-2)C(N)=O	1636584565	YOPOOPXNYZLCFR-UHFFFAOYSA-N	234.219	-0.435	50	10	BBGE	
Cc1[nH]nc(C(=O)NN(C)C[C@H](C)O)c1O	1642192835	NKMHJAQRBNQVAI-YFKPBYRVSA-N	228.252	-0.619	50	10	BBGE	
CC1CC(C#N)(C(=O)NNC(=O)c2ncon2)C1	1645910289	HMGASZAFRSDKFK-UHFFFAOYSA-N	249.230	-0.230	50	10	BBGE	
CCN(CC)C(=O)NN(CC(=O)O)CC(=O)O	1858081618	VPXCZGZMPGDNSD-UHFFFAOYSA-N	247.251	-0.576	50	10	BBGE	
N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[C@H]1Cl	1877393101	CVZSMOJVTDEUOJ-OSMVPFSASA-N	218.684	-0.154	50	10	BBGE	
NCC(CN)NC[C@H]1C[C@H]1Br	1880435658	DYQSPFIXKGXSFA-IYSWYEEDSA-N	222.130	-0.355	50	10	BBGE	
N[C@@H](CO)CNC(=O)[C@H]1C[C@@H]1Br	1881353873	OPFKTDNGNIOHGV-SRQIZXRXSA-N	237.097	-0.794	50	10	BBGE	
Cl[C@@H]1C[C@H]1CNCCn1ncnn1	1883555116	XFVDWWXXWOFTJT-NKWVEPMBSA-N	201.661	-0.110	50	10	BBGE	
C[C@@H](CO[C@@H]1CO[C@H](C)C1)C(=O)NN	1888720936	HPPBNXOJKHXLIU-RNJXMRFFSA-N	202.254	-0.194	50	10	BBGE	
CP(C)(=O)[C@@H]1CNC[C@H](C(=O)NN)C1	1892580488	QRMZUEXOHYDLAM-RQJHMYQMSA-N	219.225	-0.423	50	10	BBGE	
NC(=O)[C@]1(OC[C@@H]2C[C@@H]2Cl)CCNC1	1893097918	FUCLJIZQWWJRNM-ZKWXMUAHSA-N	218.684	-0.152	50	10	BBGE	
NC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H]1Cl	1893461580	QKEPPSXUPQDPKW-NGJRWZKOSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)NC(C)(C)C1=O	1894130658	DKNJKXFZSMMNJU-YFKPBYRVSA-N	228.252	-0.915	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](F)C[C@@H](F)C1	1896037124	MFANIDWYOUPFJA-RBXMUDONSA-N	233.262	-0.006	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)CO1	1898344142	XANDFXGSQRHNSO-XFWSIPNHSA-N	227.308	-0.278	50	10	BBGE	
N#CCCC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	1900622628	XDFAHIVVXSERKO-BDAKNGLRSA-N	222.053	-0.389	50	10	BBGE	
CCCN(CCC)NC(=O)C1(N)CC(O)C1	1901992366	IXSVPCYSUPVPBS-UHFFFAOYSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@@H](CC1=O)C2(F)F	1905573363	PTWYZZYUBAINBP-QYNIQEEDSA-N	247.245	-0.132	50	10	BBGE	
Cc1cccc(=O)n1C[C@@H](C)C(=O)NN	1912229057	KCAUFXBKYCGMGD-SSDOTTSWSA-N	209.249	-0.217	50	10	BBGE	
Cc1oncc1C(=O)Nc1ncccc1B(O)O	1913608933	XSWPSKXTIDKLJP-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1nc(C(=O)NN)co1	1914260596	UKSUFONNLFJENC-HTRCEHHLSA-N	240.263	-0.767	50	10	BBGE	
CN(CCOC1CC1)Cc1ccc(B(O)O)cc1	1914542338	WUKHWZRQIZVPHL-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1cc(B(O)O)ccn1	1924099994	VAVMFHDQDXBGIE-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@]2(CO)C[C@@]2(CO)C1	1928557758	YIUDQLAPAJGWSX-HGNGGELXSA-N	233.695	-0.183	50	10	BBGE	
COc1nscc1[C@](C)(N)B(O)O	1929630452	XGNCDNPOBYSVNU-LURJTMIESA-N	202.044	-0.662	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C2(CC2)C1	1930236116	VTNWNNWECCOECP-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
C[C@]1(CCl)CN(C2CS(=O)(=O)C2)C1=O	1931729184	CRPVGSINFCNSFF-QMMMGPOBSA-N	237.708	-0.129	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)CC(F)(F)C(=O)NN	1935935081	IFKFHOSRCFWVGC-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCCO1	1936093076	ANICNYJTMJHOBA-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936095512	XUXNOBUVKRFNPX-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CC1(C(=O)NN)CC1	1938231623	ADMKDABGIMIJPU-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC12CCOCC2	1940895382	HDLPVGDSHDCXPA-UHFFFAOYSA-N	249.261	-0.134	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@]1(C)CCOC1	1941773521	ZRIIDNNNAGQXHL-LLVKDONJSA-N	245.323	-0.649	50	10	BBGE	
COCC1(CNC(=O)C(=O)NN)CCCCC1	1945414727	HMXLCXVAYDHKHS-UHFFFAOYSA-N	243.307	-0.311	50	10	BBGE	
CCO[C@H]1CCCCC[C@H]1NC(=O)C(=O)NN	1948565098	ZHXLWEJVJGXIOP-BDAKNGLRSA-N	243.307	-0.170	50	10	BBGE	
CC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](C)N=C=O	1951454856	PTJVOBRGOJOGME-SVRRBLITSA-N	234.277	-0.740	50	10	BBGE	
Oc1nc(O)nc([C@H](O)CBr)n1	1953001123	TXJCIQTWBOJPPO-UWTATZPHSA-N	236.025	-0.289	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCNC(N)=O	1953864735	FTHBJZZVEFFQQO-RXMQYKEDSA-N	207.661	-0.212	50	10	BBGE	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NN	1956805160	PUKZRTJLGMEIPX-PHDIDXHHSA-N	223.298	-0.677	50	10	BBGE	
COCCOC1CCN(C(=O)NN)CC1	1958310243	WJQAJJONMJSJBR-UHFFFAOYSA-N	217.269	-0.303	50	10	BBGE	
CC(C)c1nc(C(=O)NCB(O)O)co1	1958718870	AZXLCQRZYHUXDW-UHFFFAOYSA-N	212.014	-0.460	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnsn1	1960520913	CLPSPWBIHNXQIC-LURJTMIESA-N	229.309	-0.262	50	10	BBGE	
O[C@H](CCl)CN1CC(N2CCOCC2)C1	1961185442	JWUGIKBZZJLCSO-SNVBAGLBSA-N	234.727	-0.398	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@H]1N(C)C	1961289665	ZXMXPHZMDKZDEQ-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)C1CC1	1961711787	HAOKXPHRJAWEBW-ZETCQYMHSA-N	207.038	-0.061	50	10	BBGE	
O=C(NCC#CCCl)c1c[nH]c(=O)cn1	1974760366	SEFHBAQIHPDVHT-UHFFFAOYSA-N	225.635	-0.258	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1978185463	TWXFRNBOQFQVJW-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
N#CC1(O)CCN([C@@H]2C[C@H](N)C[C@@H]2O)CC1	1979089492	MWJKXOMQFRHWGF-AEJSXWLSSA-N	225.292	-0.813	50	10	BBGE	
COCC[C@H](COC)N(C)CCC(=O)NN	1979244083	QVXRTTRYERCUCO-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC2(CCCC2)CO1	1979305421	CHCRIYXCYSKIMC-MRVPVSSYSA-N	227.069	-0.536	50	10	BBGE	
N#CC1=CCN(C(=O)CC2(O)CNC2)CC1	1979557067	MDAFTUYIWWWXGU-UHFFFAOYSA-N	221.260	-0.607	50	10	BBGE	
C[C@H]1C[C@H]1OCc1c(C(=O)NN)cnn1C	1980592909	KUDRWPDMCYMWGW-IMTBSYHQSA-N	224.264	-0.051	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CC1(C)C	1981419970	DGRDNHJJRABZIS-SECBINFHSA-N	220.081	-0.004	50	10	BBGE	
Cc1nc(O[C@@H]2CCOC2)ccc1B(O)O	1981424421	SUFSSDATFPINJE-MRVPVSSYSA-N	223.037	-0.762	50	10	BBGE	
Cc1ccnc(S[C@H]2CCOC2)c1B(O)O	1981450662	LLBLTAZFPXQRPH-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1981563290	VRMYTJJVDSUOKN-ZTKNNBQKSA-N	223.276	-0.521	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ncccc1Cl	1983311630	BLXKHLUJPIFXJQ-RXMQYKEDSA-N	242.666	-0.098	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	1987342763	ZDCILJNPQFPNRI-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cccc(B(O)O)c1	1987775087	ZERAXIFWLATOHM-LDYMZIIASA-N	222.049	-0.220	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](O)CC12CNC2	1991648354	NOKQLAWBTWJNOJ-ZETCQYMHSA-N	244.678	-0.757	50	10	BBGE	
C[C@]1(CO)C[C@H](O)CN1C(=O)/C=C/C(=O)Cl	1991706516	QGSGDVVANOGDOS-SSWUGZLXSA-N	247.678	-0.348	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3(F)CC2C3)O1	2002397645	BEVSPJVNSFOLDJ-VCZAYRLQSA-N	243.282	-0.290	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1CCOCC(=O)NN	2012362214	KXJLLHNIIVQDNT-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H](O)C[C@H]3C2)CC1	2012900659	YAPOKHUJMMDHHJ-MYJAWHEDSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](O)C[C@H]1COCCN1[C@H](C)CC(=O)NN	2013003997	CFDDUBCKOPHYKZ-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCOC[C@@H]2F)nc1	2020497383	UUBVZZQUMAKMSA-IUCAKERBSA-N	241.027	-0.733	50	10	BBGE	
C=C(CN(C)[C@H]1CCN(CCOC)C1)B(O)O	2021159606	WAILIHFKISBYBQ-NSHDSACASA-N	242.128	-0.793	50	10	BBGE	
Cc1nc(N2[C@H]3CCC[C@H]2C3)ncc1B(O)O	2021408408	BAWMFVSXBUYWSB-IUCAKERBSA-N	233.080	-0.404	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccccc1B(O)O	2022200226	QBCYTNOYQNWKRI-LDYMZIIASA-N	233.076	-0.153	50	10	BBGE	
CN(CCF)c1ccnc2cc(B(O)O)cnc12	2052622209	QWPPQUHFESKKGI-UHFFFAOYSA-N	249.054	-0.285	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])cc(F)c1B(O)O	2060053990	MUVNAVPODMUDCR-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
Cc1cc(C=O)c(B(O)O)cc1[N+](=O)[O-]	2060282959	WYPZWJUNHLACBB-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@]1(C)CO	2211782775	RBKNRFSPIXXXGP-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
Cc1cnn(-c2cc(B(O)O)c(C)cn2)c1	2212594368	GEELCNDPURLOLR-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CC1(F)CN(c2nccc(B(O)O)c2F)C1	2212605025	WOEVOXCQXOSYEM-UHFFFAOYSA-N	228.007	-0.551	50	10	BBGE	
C[C@]1(N)CCC[C@@H]1Oc1ncccc1B(O)O	2217171898	GSNYWCFMXNJNPF-ONGXEEELSA-N	236.080	-0.590	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)Nc1cc(B(O)O)ccn1	2217178000	PXEGZADDFANMHS-SCZZXKLOSA-N	238.096	-0.277	50	10	BBGE	
Cc1cnc(N2CC[C@@H](O)[C@@H]2C)cc1B(O)O	2217182830	HHEIQMWQLPWPDD-WCBMZHEXSA-N	236.080	-0.971	50	10	BBGE	
CC(C)NC[C@@H](C)Oc1ncccc1B(O)O	2217184446	OZQHBOKBDDEZNI-SECBINFHSA-N	238.096	-0.473	50	10	BBGE	
COC[C@@H](C)N(C)c1nccc(B(O)O)c1F	2217185190	YXZMPRZOLWMRTN-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
N[C@@H](CCOc1ccc(B(O)O)cn1)C1CC1	2217190386	CUYMBJQUKFSRKT-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
C[C@]1(O)CCCN(c2ccc(B(O)O)cn2)C1	2217196766	UNCZGLRXWDZLGS-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CO[C@H]1C[C@H](CN=c2ccc(B(O)O)c[nH]2)C1	2217203325	SOZZJWATDJSYJV-CZMCAQCFSA-N	236.080	-0.980	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCCC[C@H]21	2217329038	DOZZCNAWQQCCBG-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
CO[C@]12CC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2222844850	XAKIAXIQLFKUJA-CABZTGNLSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@@H](O)C[C@H]2C3)nc1	2223627715	NHOXRSPRGABDRY-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(Nc2cn(C)nc2C)cc1B(O)O	2223643251	TWMVRAQHDWFVDJ-UHFFFAOYSA-N	246.079	-0.145	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CCO[C@@H]3C2)cc1B(O)O	2223650706	PYSIITZKNDRABG-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1cnc(NCc2ccn(C)n2)cc1B(O)O	2223650751	QLJAPOFFTQTUMC-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](Nc1cc(B(O)O)ccn1)C2	2223670834	DEMRLXQWMDRSKF-ADEWGFFLSA-N	248.091	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@@H]1C[C@H]1C1CC1	2224024475	GRYIWLBUCABHKK-KOLCDFICSA-N	248.091	-0.641	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(C)C2)n1	2243086890	URZCFMDIKZGPEB-UHFFFAOYSA-N	222.053	-0.774	50	10	BBGE	
CO[C@H](C)CCNC(=O)C1(B(O)O)CCC1	2243348571	ZPGRKVMTOZUPFP-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
CC(C)[C@H](CO)NC(=O)C1(B(O)O)CCC1	2243349288	JAOCDFBCPGGUOW-QMMMGPOBSA-N	229.085	-0.483	50	10	BBGE	
CN(Cc1csnn1)C(=O)C1(B(O)O)CC1	2243363472	HDJZXYTUINKQFO-UHFFFAOYSA-N	241.081	-0.497	50	10	BBGE	
CC(C)C(F)(F)CN(C)C(=O)C#CB(O)O	2243399868	RNVGDKVMAXASRR-UHFFFAOYSA-N	233.023	-0.249	50	10	BBGE	
CC[C@](C)(CNC(=O)C1(B(O)O)CC1)OC	2243410037	UERLLPLAFVCZLV-SECBINFHSA-N	229.085	-0.075	50	10	BBGE	
Cn1ccnc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427061	POZVWERKQYQZDL-LJGSYFOKSA-N	223.041	-0.388	50	10	BBGE	
CCC(C)(C)NC(=O)c1cc(B(O)O)co1	2244221494	MTGPOANTBOGKMJ-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
CC[C@H](C)CNC(=O)NCCC#CB(O)O	2244539762	MNBUKGOSXYKHMJ-VIFPVBQESA-N	226.085	-0.263	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1coc(B(O)O)c1	2247732405	FFBBLKSLUCZTHX-GZMMTYOYSA-N	235.048	-0.368	50	10	BBGE	
CC(C)O[C@H]1C=CCN(C(=O)C#CB(O)O)C1	2247747129	JIQYSLPEZTYPHU-JTQLQIEISA-N	237.064	-0.806	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@@H]1C2)C1(B(O)O)CC1	2247755951	KMEVOEHZXUOCNW-GZMMTYOYSA-N	238.096	-0.748	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787636	RKYRSSFWXUSCHI-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CC[C@H]2O)C1	2247793269	WTCSPNNYNRCETC-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCCO1	2247798080	PZSNTNINYMTWLN-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)o1	2247799738	HHZULLWQEAYFOC-ZKCHVHJHSA-N	238.052	-0.148	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2[C@@H]1C[C@H]2O	2247805965	LORGAKNQCJPRBN-BQHMLIOBSA-N	239.080	-0.779	50	10	BBGE	
CC[C@H]1NCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247805993	LUOSHILDSISTOR-YDYPAMBWSA-N	240.112	-0.504	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1N	2247807745	JALGCCALPBWEQK-DOLQZWNJSA-N	240.112	-0.565	50	10	BBGE	
O=C1C[C@H](C2CC2)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247810191	VMXRRYGFKXCSLX-DJLDLDEBSA-N	237.064	-0.366	50	10	BBGE	
CC1(C)[C@H]2CC(CNC(=O)C#CB(O)O)C[C@@H]21	2247842319	SFSINFDOEMLMNT-UWVGGRQHSA-N	235.092	-0.200	50	10	BBGE	
O=C(NCC1CCCC1)c1c[nH]nc1B(O)O	2247854355	BIUYLICYHHAFAX-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
C[C@H](O)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247859053	JYZFJBJHOILKGC-HGNGGELXSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CO	2247898095	AJUCCGCEVGXRMF-UTINFBMNSA-N	241.096	-0.674	50	10	BBGE	
Cc1ocnc1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247898863	IERLIOPMVQJWGU-HTQZYQBOSA-N	238.052	-0.196	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2247900259	VJDCMDNDCCCSMA-IVZWLZJFSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)CCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248573329	CLKQAQPLENEWED-JGVFFNPUSA-N	241.052	-0.828	50	10	BBGE	
O=C(NCC1(C(=O)O)CCC1)[C@@H]1C[C@H]1B(O)O	2248587799	USQQZSPJHKXSRL-RNFRBKRXSA-N	241.052	-0.780	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248590125	ZIJIOLQASXMQNG-PRJMDXOYSA-N	241.052	-0.685	50	10	BBGE	
C=CCN(OC)c1nc(C)nc(C)c1B(O)O	2249515135	DYKSYCOXVIOZPI-UHFFFAOYSA-N	237.068	-0.673	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1coc(B(O)O)c1	2255452926	NCIQEAMICZUUHF-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2255459536	IBMKLNOIDIDKFD-SZEHBUNVSA-N	248.091	-0.387	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1ncccc1B(O)O	2255519818	BSAHJYYOCVKKIM-SECBINFHSA-N	246.075	-0.400	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@@H]1C2	2255668841	FRSGUMZUUCTKNW-HOTUBEGUSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H]2CC[C@@H]21	2255726581	VXZMHOQEBLJZRI-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CC1)c1ccccc1	2255740201	ALEJDIBMRCZSGC-JTQLQIEISA-N	248.091	-0.190	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ncc(B(O)O)cn1	2255773692	DNRMAZCBVXIAII-IONNQARKSA-N	249.079	-0.973	50	10	BBGE	
Cc1cnc(C(=O)N(C)CC2CC2)c(B(O)O)c1	2255789541	IVYRPTDRLGRDPZ-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2297960968	FWJMJHFIGXYNAU-HWUMTFDVSA-N	239.319	-0.685	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298560638	QNVQMRZVBFTNHW-WNPHYYBUSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1Cc2cccnc2C1	2300115064	KFDMKCDXMJZSDT-IUCAKERBSA-N	232.048	-0.213	50	10	BBGE	
Cc1cccc(COCCOCC(=O)NN)n1	2302866597	ZLDMYPSFNILROX-UHFFFAOYSA-N	239.275	-0.087	50	10	BBGE	
C[C@@H](C(=O)NC1CC1)N1CC[C@@](C)(B(O)O)C1	2303134185	OJYDPYAZYFGHFR-GZMMTYOYSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1C(CN=c2cc(B(O)O)c(F)c[nH]2)[C@H]1C	2303835160	RQVNVPZVSLOODM-BQBZGAKWSA-N	238.071	-0.364	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1c1ncno1	2307494992	BGDMJYWLZZMFFP-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21	2312849029	BJUOJKOJCFQXRM-WHQQTDPMSA-N	247.059	-0.560	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H](CO)C1	2317151999	XCHSPKPBRXYYFM-JLIMDTESSA-N	246.075	-0.579	50	10	BBGE	
NNC(=O)c1nc(CN2CCOCC2)cs1	82466054	HEFSQFBYTKWINW-UHFFFAOYSA-N	242.304	-0.421	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	82468629	MFRJTFUITYOVPT-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCNC(=O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	86313584	PPOMEDNGUNVUMP-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cc([N+](=O)[O-])cn1	86313752	INYHLWHAFXMHHU-WDSKDSINSA-N	227.224	-0.022	50	10	BBGE	
NNC(=O)CCCN1C(=O)C(=O)c2ccccc21	104106071	PJFSKPGHARHGID-UHFFFAOYSA-N	247.254	-0.014	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](CCCN2C)C1	135195937	DILCNQVFANRJKE-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CC(C)(C)[C@@H]1CC(=O)N(CC(=O)NN)C1	167304253	MHVSLVAMHRYLAX-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
CCOCCOc1cccc(B(O)O)c1	197939779	QPYANCMNXYZAKG-UHFFFAOYSA-N	210.038	-0.218	50	10	BBGE	
CCOCCOc1ccc(B(O)O)c(F)c1	203556445	FKSKJOKYYKPYBP-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CCN(CC(N)=O)C(=O)NC(=O)[C@@H](C)Cl	231826153	HCZHLHZXYQRRFW-RXMQYKEDSA-N	235.671	-0.343	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C)(C)C1	232420523	UZIVVOUNGHIRFB-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CNc1nncc2cc(B(O)O)ccc12	238361251	ODNAOEOUIYRLRL-UHFFFAOYSA-N	203.010	-0.649	50	10	BBGE	
C[C@@H](CN1CCOC[C@H]1C)C(=O)NN	251747544	LDLDSGOGVYXTCG-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CNNC(=O)c1ccc2c(c1)oc(=O)n2C	259062953	WWXQYURMJLXENN-UHFFFAOYSA-N	221.216	-0.004	50	10	BBGE	
CN(CCCO)Cc1ccoc1C(=O)NN	300803069	JMCQHWVCGDIMDM-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1nnn(C)n1	306615465	PHEUMJBRNKRXHT-SCSAIBSYSA-N	203.633	-0.546	50	10	BBGE	
CC[C@H](NC(=O)CBr)C(N)=O	307690626	OZMQHRJMORLYRK-BYPYZUCNSA-N	223.070	-0.239	50	10	BBGE	
COC[C@H]1CCCCN1[C@H](COC)C(=O)NN	307763171	HSGFOFBGDIFKIB-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCCS(=O)(=O)NNC(=O)NCC	308388906	YPWNRJCAHZQSBU-UHFFFAOYSA-N	209.271	-0.450	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@]1(C)CN	310368719	MZVJAFOMMFYMEH-BXKDBHETSA-N	242.367	-0.081	50	10	BBGE	
OB(O)c1ncnc2cc3c(cc12)OCCO3	382740377	INXPQUVBALSMNH-UHFFFAOYSA-N	232.004	-0.919	50	10	BBGE	
COCC1(O)CN(CCCCCC(=O)NN)C1	384113668	HVNFYCVFOIUTTG-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CC(C)CC1(CNC(=O)C(=O)NN)CC1	392188983	QFSBKVFDVYXBTL-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
C[C@H](Cl)C(=O)NCCc1nc(=O)o[nH]1	392191329	YLKVIEJAYBSLHN-BYPYZUCNSA-N	219.628	-0.351	50	10	BBGE	
CC(C)(CCN1CCS1(=O)=O)C(=O)NN	395987517	UKXVIFXVKMFJHY-UHFFFAOYSA-N	235.309	-0.962	50	10	BBGE	
C[C@@H](SCCC(N)=O)[C@H](C)C(=O)NN	399165598	MCSLCLYSRHBMEN-NTSWFWBYSA-N	219.310	-0.391	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	585066448	LWJPCJGQGJJXMN-KATARQTJSA-N	241.096	-0.125	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)[C@H](C)C1	688122236	OHPJVIYLMCURTF-YTWAJWBKSA-N	243.351	-0.050	50	10	BBGE	
C=CCOCCCN1CC(=O)OC(=O)C1	691818713	HJZVEQKZXGEIOI-UHFFFAOYSA-N	213.233	-0.036	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299116	BZLZQMXQYSPUDY-MNOVXSKESA-N	240.351	-0.219	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@H](Cl)C#N)C1	703178931	FHLPYLFNXJGPMH-ZCFIWIBFSA-N	237.712	-0.649	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)N1C	703468904	GZIJJXKCHFLGAH-RQJHMYQMSA-N	215.253	-0.873	50	10	BBGE	
Cc1cccc(O)c1C(=O)NCB(O)O	706658264	XEWHRDIAKVVNNH-UHFFFAOYSA-N	209.010	-0.558	50	10	BBGE	
C[C@H]1CN(C)CCN([C@@H](C)CC(=O)NN)C1	707565065	QNEYHUKRGZCXLE-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC(C)C(=O)N1Cc2cccc(B(O)O)c2C1	713231128	DPOMHYHGVCSXHG-UHFFFAOYSA-N	233.076	-0.135	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)c1cnn(C)n1	716755182	WXTLCLWMAAFINB-SSDOTTSWSA-N	245.714	-0.286	50	10	BBGE	
COc1ccnc(NNC(=O)c2nc[nH]n2)n1	772707074	GHZYTATZCSJHIZ-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
C[C@@H]1COC(=O)C1=NNC(=O)[C@H]1COCCO1	794916116	XREDFNFDZQESIU-RNFRBKRXSA-N	242.231	-0.933	50	10	BBGE	
O=C(NNc1ncc(F)cn1)[C@@H]1[C@H]2COC[C@H]21	831352000	SVSNCIJPVRYDDF-JIGDXULJSA-N	238.222	-0.049	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1CCC1	832754595	MXWVRRVFPHZLIB-MRVPVSSYSA-N	244.291	-0.280	50	10	BBGE	
C[C@@H](CC(=O)NNc1ccccn1)NC(N)=O	847667604	CVTNRWPDOJTBBD-ZETCQYMHSA-N	237.263	-0.028	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NN(C)C(N)=O)C1	897278303	RHPYKVVDAHAQMY-PHDIDXHHSA-N	201.226	-0.547	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1OCCO[C@@H]1C	930731818	NQKKPABNKAAFQO-RNFRBKRXSA-N	231.252	-0.859	50	10	BBGE	
CN(NC(=O)C1=C2CCCN=C2NN1)C1CC1	1626985330	ZGMMTZUAKVDNTI-UHFFFAOYSA-N	235.291	-0.334	50	10	BBGE	
CC(=O)Nc1ncccc1OCC(=O)NN	1858715974	RCXZVKSYOYPCAL-UHFFFAOYSA-N	224.220	-0.591	50	10	BBGE	
COC[C@H](OC[C@@H]1C[C@H]1C)C(=O)NN	1877781932	WXMWRHJDULTNKQ-CSMHCCOUSA-N	202.254	-0.336	50	10	BBGE	
CSSCCNC(=O)[C@@H](O)CN	1880590496	JUPHPJZJAIGMRH-YFKPBYRVSA-N	210.324	-0.567	50	10	BBGE	
O=C(CCl)NC[C@@]1(CO)CCCO1	1883300723	ZGGCSIHURGGQQH-MRVPVSSYSA-N	207.657	-0.117	50	10	BBGE	
O=C(O)C[C@H]1C(=O)NCCN1C(=O)F	1887186600	PHYLZRLUWAYMGS-BYPYZUCNSA-N	204.157	-0.649	50	10	BBGE	
C[C@@H](CC(=O)NN)OCC1CN(C)C1	1888050489	NPHSHWSLHJOSOR-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
NC(=O)CN(CC(=O)O)C[C@@H]1C[C@H]1Cl	1893101073	YZKFSXRQKQUECT-NTSWFWBYSA-N	220.656	-0.514	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@@H]1Cl	1893470476	UAVIJWQCOVHBBT-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893475343	SENPEWZNUIWKNJ-YQJDLUKNSA-N	221.640	-0.435	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1894248450	AYCOBUSHUNRTDQ-JKUQZMGJSA-N	233.218	-0.616	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@@H]21	1895928751	KYOUIMWLXXVKRI-AEJSXWLSSA-N	227.308	-0.419	50	10	BBGE	
CC=CCOc1nc(C)nc(C)c1B(O)O	1900869566	URXLUWNBFIYRFM-UHFFFAOYSA-N	222.053	-0.272	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1CCNC1	1901368898	UAILSFSURXDZCT-MRVPVSSYSA-N	249.336	-0.703	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2[C@@H]3CCOC[C@@H]32)C1	1902512539	MGOUUOHUHZGDGZ-YTWAJWBKSA-N	225.097	-0.182	50	10	BBGE	
C[C@@H](C(=O)N1CCNCC1)N1CC=C(C#N)CC1	1917082478	OHOUTNSHSHMAMQ-NSHDSACASA-N	248.330	-0.038	50	10	BBGE	
O=C(NCB(O)O)N1C[C@H]2CCC[C@@H]2C1	1927958524	DPGDWHTZZGQYLC-HTQZYQBOSA-N	212.058	-0.560	50	10	BBGE	
CC[C@@]1(C(=O)NCB(O)O)CCCO1	1929038706	SFUGLRSHIPJSEX-QMMMGPOBSA-N	201.031	-0.926	50	10	BBGE	
O=S(=O)(NCCBr)N1CCC1	1929936966	NAVCXSOGGUSCJZ-UHFFFAOYSA-N	243.126	-0.079	50	10	BBGE	
CNNC(=O)[C@H](OC)[C@H]1CCCOC1	1930600307	CNZPDBFPZDHKPJ-JGVFFNPUSA-N	202.254	-0.321	50	10	BBGE	
CC(C)n1cc(NC(=O)C(=O)NN)cn1	1932774789	CERGCXWDPYAXBK-UHFFFAOYSA-N	211.225	-0.608	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1CCOCC(=O)NN	1936527997	DIIMLKUQNCOPKT-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H]1C1CCOCC1	1936638254	VINVPJKPPCNWBC-WCBMZHEXSA-N	227.308	-0.134	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1CCOC[C@@H]1Cl	1937145539	KTCNFNBIRHCSKG-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCC[C@@H]1O	1938248571	IEMZFTQSNODZOJ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CN1CC2(CCC2)C[C@H]1CO)C(=O)NN	1946221523	GHQOGKXATKJIHV-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@](C)(O)CCO	1954724815	JHICCEJRQUKDPK-HTRCEHHLSA-N	209.673	-0.137	50	10	BBGE	
O[C@@H](CCl)CN1CC(N2CC(F)C2)C1	1955340693	GEWRONMHMMODAC-VIFPVBQESA-N	222.691	-0.076	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)[C@H]1COCCO1	1955461064	CVLNYHSDWGIOOT-NKWVEPMBSA-N	243.712	-0.094	50	10	BBGE	
CCN(CC)[S@](C)(=O)=NCC(=O)NN	1956457461	DNLYZTANDOVLNL-CQSZACIVSA-N	222.314	-0.669	50	10	BBGE	
NNC(=O)CN1CCS[C@H]2CCC[C@@H]21	1956782338	QIWUBDPZIVQZOY-YUMQZZPRSA-N	215.322	-0.054	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)C[C@@H](C)Cl	1957318326	MSEREGDCFVGCHP-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
N#CC1=CCN(CC2(O)CC(N)C2)CC1	1958314294	GAEWKYYKBWBQOV-UHFFFAOYSA-N	207.277	-0.006	50	10	BBGE	
O[C@H](CCl)CN1CC2(C1)OCCC[C@H]2O	1958500067	PGVHTJIFOZIAOI-RKDXNWHRSA-N	235.711	-0.188	50	10	BBGE	
CC(C)(CCN1CC(C#N)C1)C(=O)NN	1960094519	JMYYPVFIPWZTRF-UHFFFAOYSA-N	210.281	-0.152	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@@H](C)C(=O)NN)C2	1960286399	IPGULISWSQGPPI-QXFUBDJGSA-N	213.281	-0.667	50	10	BBGE	
CC[C@H]1CCN1c1ncc(B(O)O)cn1	1961681004	RRNXSIBZLGIQSD-QMMMGPOBSA-N	207.042	-0.855	50	10	BBGE	
O=S(=O)(CCl)N1CCOCCO1	1965823732	JRVKROJEEZJNOC-UHFFFAOYSA-N	215.658	-0.224	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)ccc1F	1969449754	PSOVDRPHUVPIPU-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)[C@@H]1CCCO1	1974878286	BKRCLCJWEQFNMF-NTSWFWBYSA-N	233.293	-0.955	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C(F)F	1975172307	YZYOWJHBCLHQBE-NTSWFWBYSA-N	225.239	-0.423	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnsn1	1979643254	JYYSDYBFDRLCDV-RQJHMYQMSA-N	243.336	-0.016	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C(CO)CC1	1980962215	UUAFBOUWJFNTQV-JTQLQIEISA-N	227.308	-0.375	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1CC(C)(C)C(=O)NN	1981192114	OZYVMRBRKIVAIV-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H]2C[C@H]21	1981416684	RNOBNSHEXYQKCQ-GZMMTYOYSA-N	218.065	-0.250	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](C(F)F)CC1=O	1982223454	BNYGESSMEDHUBZ-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
CC[C@@H](C)OCn1cc(B(O)O)ccc1=O	1984102551	UYROQVKYSUDBQN-MRVPVSSYSA-N	225.053	-0.699	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC[C@@H]2O)C1	1984542820	NMTWBQNOYPOMSI-CIUDSAMLSA-N	227.308	-0.542	50	10	BBGE	
COCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	1985357281	NMRWHIXPKYUOQL-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1cnn(C[C@@]23CC[C@@H](CO2)C3)c1	1989943523	MKTNINVCIOCWRB-SCZZXKLOSA-N	222.053	-0.868	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2Cl)C1	1991676800	DFJKORKBZBTCOZ-BYULHYEWSA-N	246.694	-0.548	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1C(=O)/C=C/C(=O)Cl	1991712106	CNXKCTWTHOSBIU-YEMZYZDBSA-N	247.678	-0.084	50	10	BBGE	
COCCNC(=O)CNC(=O)/C=C/C(=O)Cl	1991713212	QCNCLQDXWJNVFI-NSCUHMNNSA-N	248.666	-0.813	50	10	BBGE	
CO[C@@H](C(=O)N1CC=C(C#N)CC1)C1CNC1	2004777135	RWEQJALPMNWJBU-LLVKDONJSA-N	235.287	-0.097	50	10	BBGE	
Cc1cnc(O[C@@]2(C)CCOC2)c(B(O)O)c1	2004924542	DAHVZGXHLOAVDQ-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2CC(C)C2)n1	2004935514	OMVACWKIDKKJDK-UHFFFAOYSA-N	236.080	-0.049	50	10	BBGE	
CCCC1CN(c2ncc(B(O)O)c(C)n2)C1	2004973446	VBXYKMZDCULMHP-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CN(C)C(=O)C1CN(CCCCC(=O)NN)C1	2008311894	ZNEQRXXIITWOSX-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@H](F)C1	2008845144	XIIPJHMSYSQISB-BDAKNGLRSA-N	239.055	-0.334	50	10	BBGE	
OB(O)c1ccccc1OCc1cncnc1	2009008178	KPOZCFZCXAZIQU-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
NNC(=O)CCCN1CC2(CCC(O)CC2)C1	2010499525	CRLSPUGMUVRVHC-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@]1(O)CCOC1	2013283466	BHWWVOLWHCIBGM-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCOC[C@@H]1F	2013731424	QOBPCCNXLJOQDH-AATLWQCWSA-N	245.298	-0.329	50	10	BBGE	
CO[C@@H]1C[C@@H](CNC(=O)C(=O)NN)C12CCC2	2016044376	WYDLRERVENVFLY-JGVFFNPUSA-N	241.291	-0.702	50	10	BBGE	
CCOC[C@@H]1CCN(CC(=O)NNC(C)=O)C1	2019215346	VIFCTGVDEDQTHO-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
CC[C@H]1CCOCCN1CC(=O)NNC(C)=O	2019218435	FUGOGROWBWKELU-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCC=C2B(O)O)C1	2020057127	RSSCMADNTDKNBJ-UJNFCWOMSA-N	239.080	-0.372	50	10	BBGE	
OB(O)c1cncnc1OC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2026820919	QIHLPMCECIQEHM-WCTZXXKLSA-N	232.048	-0.810	50	10	BBGE	
NNC(=O)c1cncc(CN2CC3(CCO3)C2)c1	2051858435	LUQDLIWJPQZWRR-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1N(C)C	2052472439	LUWKYBJCRCPJIW-GXSJLCMTSA-N	249.123	-0.852	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1[C@H]2OCC[C@@H]21	2056377566	ZCDVGKORDXHCKL-MXWKQRLJSA-N	247.059	-0.660	50	10	BBGE	
Cc1ncncc1COc1cncc(B(O)O)c1	2058409243	WMIHNCXSBQSCSG-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCOc1cc(OC)cc(B(O)O)c1C=O	2060131661	MBSBUANERLDCLV-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccc2ncnn12	2064367081	DGJAZZFVRBPAQH-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
COC(=O)Nc1ccc(B(O)O)c(F)c1F	2212542727	NQPSTTGKYASLQL-UHFFFAOYSA-N	230.963	-0.177	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]2Cl)c1F	2212603358	FLIARQXSDWJSKD-CAHLUQPWSA-N	244.462	-0.060	50	10	BBGE	
C=C[C@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212603851	JVPNSNUMXUWZEV-QMMMGPOBSA-N	220.081	-0.274	50	10	BBGE	
CO[C@H](C)CNc1cc(B(O)O)c(C)cn1	2212605571	HGDQOIBRUOTHHB-MRVPVSSYSA-N	224.069	-0.483	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CCC2)[C@H]1CO	2216493627	JEQUCFAPQGCVNP-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C)[C@H](C)Nc1ncc(B(O)O)cn1	2217178716	ANZWMIBRIWCKAF-YUMQZZPRSA-N	239.084	-0.761	50	10	BBGE	
N#CCCN(c1ccc(B(O)O)cn1)C1CC1	2217179615	NMOSETROEQJCGA-UHFFFAOYSA-N	231.064	-0.356	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CC[C@@H]2O)c1F	2217184661	QSHKCEFHTUFLKC-SVRRBLITSA-N	240.043	-0.917	50	10	BBGE	
CC[C@H](N)CCCOc1ncc(B(O)O)cn1	2217194167	RMDKNXDKOGKVTQ-VIFPVBQESA-N	239.084	-0.947	50	10	BBGE	
C=C[C@@]1(Oc2cc(B(O)O)ccn2)CCNC1	2217194190	RRIOQHMFZAMLPU-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1ccnc(NCc2cccnc2)c1	2217199927	HBQACHWDRSKAFB-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
COC(=O)C[C@@H](C)Nc1ccc(B(O)O)cn1	2217200502	KXJSKFFVRMQTJS-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCOC1	2217205437	YYWUAFVFEVCZLY-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1cc(B(O)O)ccn1	2223627333	MNESRDDBURVYTK-RTCCRHLQSA-N	248.091	-0.910	50	10	BBGE	
CN1CCC[C@@]1(C)CNc1cc(B(O)O)ccn1	2223627643	MQWGLXZQOOLTKS-LBPRGKRZSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3C=CC[C@H]2CC3)nc1	2223635510	YCCWYMSYLLZEKM-QXEWZRGKSA-N	245.091	-0.077	50	10	BBGE	
Cc1ccc(CNc2ncccc2B(O)O)nn1	2223640425	WNYUVISDEOZIOP-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@H]2CNCC[C@@H]21	2223650173	IZHZNGGCQZQQLN-ATZCPNFKSA-N	248.091	-0.862	50	10	BBGE	
Cn1c(O)cc(=O)n(CCBr)c1=O	2241380034	VQSZBKWCVMYQLS-UHFFFAOYSA-N	249.064	-0.353	50	10	BBGE	
O=C(N1CC[C@@H](F)C1)C1(B(O)O)CC1	2241473611	MYUNBUKEQJNKFA-ZCFIWIBFSA-N	201.006	-0.436	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)C1(B(O)O)CCC1	2241481759	VEVBULXOQOOHMJ-WDSKDSINSA-N	201.006	-0.390	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)N[C@H]1C[C@H](Cl)C1	2241652904	ADAJXJOLPBRERZ-HSUXUTPPSA-N	220.656	-0.326	50	10	BBGE	
CO[C@H](CO)CNC(=O)CBr	2242444653	GJJQRKLFKGCMKV-YFKPBYRVSA-N	226.070	-0.495	50	10	BBGE	
Cc1nc(C(=O)N(C)CCF)c(B(O)O)s1	2243360005	ZOXFKZPLYMFZEC-UHFFFAOYSA-N	246.072	-0.827	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1O[C@H]2C=C[C@H]1C2	2243381363	FMYOWDIHORTNHK-KZVJFYERSA-N	223.037	-0.290	50	10	BBGE	
COCC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243390869	CIOOKYDGKOMBKU-ABIFROTESA-N	227.069	-0.610	50	10	BBGE	
O=C(NCCOC(F)(F)F)C1(B(O)O)CC1	2243397656	GTFDCCVTXTVVEF-UHFFFAOYSA-N	240.974	-0.354	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@H]2C[C@H]12	2243398082	BMZBTIGDGDXTEW-LPEHRKFASA-N	221.065	-0.446	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N(O)C(C)C	2243399309	YRFDVANMLAAMNX-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1sccc1B(O)O	2243407886	BKPIGUWSAWVVNS-HTRCEHHLSA-N	239.105	-0.092	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)F)sc1B(O)O	2243409505	JHOPIYMDQZUMNN-ZCFIWIBFSA-N	245.084	-0.176	50	10	BBGE	
C[C@@](O)(CNC(=O)C1(B(O)O)CC1)C1CC1	2243410098	VKUPFIWSDLUUCT-SECBINFHSA-N	227.069	-0.729	50	10	BBGE	
CCN(OC)C(=O)c1cc(C)sc1B(O)O	2243414510	CCHYGPCGBXZPCO-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)[C@H]1C[C@H]1B(O)O	2243427746	ZZZRYBLCEHBHBF-JGVFFNPUSA-N	228.101	-0.707	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)co1	2244212953	XNMSJBOIHMRUAH-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
CC[C@@H](C)[C@@H](NC(=O)C#CB(O)O)C(F)F	2244587569	LLIGRYGEZGYAJF-HTRCEHHLSA-N	233.023	-0.202	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ccoc1B(O)O	2247742451	OZDCLWCFKFVPJJ-MRVPVSSYSA-N	235.048	-0.509	50	10	BBGE	
COC[C@@H]1CC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247753038	AMHYMFOYZWRQCH-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1C(=O)C1(B(O)O)CC1	2247757566	WMJGVUZVHLDTAR-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H](O)C1)C1CC(B(O)O)C1	2247798847	XRXUAOMYCIYKMF-AUXWQGHOSA-N	241.096	-0.483	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N1CCC1	2247800753	SKUQCKYSGXEOQK-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247805249	JXXFRJWDYKVXHP-XFWSIPNHSA-N	240.112	-0.600	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C1CC1	2247809166	YAPICVHXORNGQY-QNSHHTMESA-N	240.112	-0.552	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247809403	ZBEVXGLLOXCRQY-JXUBOQSCSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccoc2B(O)O)C1(F)F	2247847156	SFHZRHMAQWEZAC-XINAWCOVSA-N	244.990	-0.657	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C(=O)C1CC(B(O)O)C1	2247858673	HCFOFMDSJZGBDL-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCCCF	2247860464	XGSRCFBWOWPXND-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
CC(C)NC(=O)c1c(F)cc(B(O)O)cc1F	2247872869	ZSGXDPIMCNXDMN-UHFFFAOYSA-N	243.018	-0.217	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)C1(B(O)O)CCC1	2247879653	WTGNCPMSOFXSPD-XHNCKOQMSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895292	QWVDNOJPUXISFR-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247899653	PAZFRJHGTSBWNE-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ncc(B(O)O)cc1F	2248241310	CMEDGNPKSCMEAY-LURJTMIESA-N	240.043	-0.115	50	10	BBGE	
CC(C)C[C@@](C)(NC(=O)C#CB(O)O)C(=O)O	2249095707	KMOKFPCHKZOUAO-SNVBAGLBSA-N	241.052	-0.993	50	10	BBGE	
CC1(C2CC2)CN(C(=O)c2coc(B(O)O)c2)C1	2255450830	ZUUGTQHGPBVQOY-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NCC2CC2)c1	2255505044	VIRVHEJZQUTKPS-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1C[C@@H]2CC[C@H]2C1	2255515941	DZCLYCWLCOFCJK-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cn2)C[C@@H]1C	2255716882	VEKDGZJBGVKGQO-IUCAKERBSA-N	248.091	-0.511	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@@H]21	2255729755	ACGMBKFNWPXEHI-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
C=CCN(C)C(=O)c1c(OC)cccc1B(O)O	2255748028	VVWDTCQUTSYNCU-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC[C@@H]2C[C@@H]21	2255892946	MPJWTBIOEGETRZ-KCJUWKMLSA-N	246.075	-0.008	50	10	BBGE	
O=C1NCCN(CCBr)C1=O	2297008256	FNHCYFFMBFRBCD-UHFFFAOYSA-N	221.054	-0.660	50	10	BBGE	
O=C(N[C@@H]1CC[C@@]12CCCO2)[C@@H]1C[C@H]1B(O)O	2298376383	UPSDQAITGDVIIC-CDLYGTGVSA-N	239.080	-0.323	50	10	BBGE	
O=C(O)[C@H]1CC=CCN1C(=O)[C@H]1C[C@H]1B(O)O	2298463917	HWOOEQMYBXTIMV-XLPZGREQSA-N	239.036	-0.909	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300371569	NHKOXMPWOVYUJL-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@](C)(CN1CC2(CC[C@@H]2O)C1)C(=O)NN	2303426623	PLDKXJCIGCVAJB-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CC(=O)NCc1ccccc1	33414037	IEZXDQQKFKNNBL-UHFFFAOYSA-N	207.233	-0.317	50	10	BBGE	
NC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1	70044462	UPRZXDFIHTVMSO-UHFFFAOYSA-N	214.137	-0.499	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2c(c1)OCO2	70187095	MVONEIFXPFCISX-UHFFFAOYSA-N	223.188	-0.272	50	10	BBGE	
COC[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	81121036	DDBMWKNBCXVGOZ-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H](CO)C1	82465826	LBZHTPJSNQJBKG-JTQLQIEISA-N	229.324	-0.149	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C)CCC(=O)NN	82469549	IDBJLZMZYPZARE-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
Cc1cc(F)ccc1CCNC(=O)C(=O)NN	94963465	KZBIXPLDWSWBPF-UHFFFAOYSA-N	239.250	-0.217	50	10	BBGE	
NNC(=O)CCCN1CCCCC[C@@H]1CO	125035945	NWHBBPUKEXUADH-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
CN1C(=O)C[C@H](n2cnnc2CCl)C1=O	149969670	ONCCHZHSLFOECB-YFKPBYRVSA-N	228.639	-0.053	50	10	BBGE	
COC[C@H](C)N(C)Cc1ccc(B(O)O)cc1	199002868	HEJJGALFRZIYDP-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
OB(O)c1cncc(OCCn2cccn2)c1	203524033	JOMGQRYOITWNJE-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCOCC1	211962153	AXVCSFYHSCHESV-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](CO)C1	216468108	ZLHZXTHFCXSZQP-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
NCCC[C@@H](NC(=O)CCl)C(=O)O	238571293	ZBTAKEQYWPUSSX-RXMQYKEDSA-N	208.645	-0.467	50	10	BBGE	
CCN1CCN([C@@H](C)C(=O)NN)C[C@H]1C	250315694	MLFQGXYAQHQDHB-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	251541472	AUEFVROQGYAQRH-DTWKUNHWSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@H](C)CCC(=O)NN)C1	252786483	VODXYHZPYOLRTI-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](N)C1(c2ccc3c(c2B(O)O)OCO3)CC1	258496844	ZFPJFGZDUPKTFA-ZETCQYMHSA-N	249.075	-0.526	50	10	BBGE	
Cn1c(=O)oc2ccc(CC(=O)NN)cc21	259023713	QDTWMMAYHMEDNS-UHFFFAOYSA-N	221.216	-0.336	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@H](O)C1	299907669	IOTPEGWVSPBHTP-UTINFBMNSA-N	229.324	-0.296	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(SC)CC1	300895467	VDDWFMFEZDCJKW-SECBINFHSA-N	247.364	-0.181	50	10	BBGE	
Nc1c(O)c(B(O)O)cc2sccc12	306882572	IZVWTVNBJPBNRL-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1NC[C@@H](Br)N2CNC[C@@H]12	307063647	PTKUPPGQBIGOJH-WHFBIAKZSA-N	220.070	-0.932	50	10	BBGE	
OB(O)c1cc(O)c(F)cc1Br	307163997	GFFXPMKOWKVJBJ-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
CC(=O)NNS(=O)(=O)CCCC#N	308132745	CAZMIHAJBKBMQO-UHFFFAOYSA-N	205.239	-0.739	50	10	BBGE	
CCOC(=O)[C@@H](O)CC(C)=NNC(N)=O	379698916	RABDUXMAGFEZKM-LURJTMIESA-N	217.225	-0.655	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCOC(C)(C)C1	379877366	AUBAPVFJLPYERC-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1cc(C2CCNCC2)ccc1F	381093974	VZCYZSUPNNTQTM-UHFFFAOYSA-N	223.056	-0.028	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1(C(=O)O)CCC1	383801915	TVACYULNKDBFKF-UHFFFAOYSA-N	243.263	-0.907	50	10	BBGE	
COC(=O)c1cccc2oc(B(O)O)nc12	396110123	GAZXZAJCOCDIQJ-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
OCc1sc2ccc(O)cc2c1B(O)O	396339415	KHERCGFQNSAKOV-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CNC(=O)CCCNC(=O)NC(=O)[C@@H](C)Cl	398357728	LTIAAEBEWUXSOC-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
C[C@@H]1C[C@H](N(C)[C@H](C)CC(=O)NN)CO1	401506482	GUYWAHIDGINLHR-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1B(O)O	405053346	JRJAHOSFOJTKFF-GXSJLCMTSA-N	247.103	-0.019	50	10	BBGE	
CCCNC(=O)Nc1ncc(B(O)O)s1	405189445	RVTSSDYLIPVPCO-UHFFFAOYSA-N	229.070	-0.646	50	10	BBGE	
C[C@@H]1OC[C@H](N2CC(=O)OC(=O)C2)[C@@H]1C	405572209	WXIXWBRKAINDAB-CSMHCCOUSA-N	213.233	-0.205	50	10	BBGE	
N#CC1(O)CCN(Cc2cnc(NN)cn2)CC1	692136822	TTZIXJJBGIJGJX-UHFFFAOYSA-N	248.290	-0.387	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCl)C(=O)NC	697905000	KCEKEGMVGKTEPC-YFKPBYRVSA-N	228.701	-0.373	50	10	BBGE	
CN1CCOC[C@@H]1CNS(=O)(=O)CCl	700172127	YKBPUVZLXXNKOZ-ZETCQYMHSA-N	242.728	-0.567	50	10	BBGE	
O=C(O)CCC(=O)c1ccc(B(O)O)cc1	702583885	OETWAHBUOAWJPA-UHFFFAOYSA-N	222.005	-0.586	50	10	BBGE	
CNNC(=O)C[C@@H]1CCS(=O)(=O)C1	704643234	BVIBLGWYBDAZIM-LURJTMIESA-N	206.267	-0.938	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@@H]1C	706206927	LNHIYTPNOCKRPA-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@H]12	717086624	DFTKVVQEANAECK-XLPZGREQSA-N	211.265	-0.471	50	10	BBGE	
O=C(CCBr)NCC#CCO	717490070	QVIFCYQEPPOSCX-UHFFFAOYSA-N	220.066	-0.117	50	10	BBGE	
CN1CC(=O)OB(/C=C\CCl)OC(=O)C1	722001138	IEUJKWDPGKPCNW-IHWYPQMZSA-N	231.444	-0.159	50	10	BBGE	
C[C@@H](CCl)N(C)c1ncnc2c1=NCN=2	725572173	BZCBYXHVKXQKTB-LURJTMIESA-N	225.683	-0.250	50	10	BBGE	
O=C(NNC(=O)[C@H](O)c1ccccn1)C1CC1	791294151	HEAMKHVWRWPKFY-SECBINFHSA-N	235.243	-0.328	50	10	BBGE	
NC(=O)CC(=O)NNc1ncccc1F	804215978	BGKMYUAASIVNCQ-UHFFFAOYSA-N	212.184	-0.461	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846385855	DNNZPKFGMMEMHN-UYXSQOIJSA-N	242.275	-0.264	50	10	BBGE	
CC(C)C(=O)NNC(=O)Cc1nnc(N)s1	1290193310	JPRDSNIJOPPHHP-UHFFFAOYSA-N	243.292	-0.534	50	10	BBGE	
COc1cccc(NNC(=O)C2(O)COC2)n1	1295451687	HIQUEXDATARNAP-UHFFFAOYSA-N	239.231	-0.705	50	10	BBGE	
CCO[C@H](C(=O)NNC(=O)NC)[C@H]1CCOC1	1351758166	VIIFYCUZRXBNAN-YUMQZZPRSA-N	245.279	-0.612	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1cc[nH]n1	1470051624	VJXZWWGBYKCOOD-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
Cn1nnc(C(=O)NNc2cccc(F)n2)n1	1623533724	ZVNZGTIJEYKNAU-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNc1ccncn1	1637050078	BYGCZSHPZWIVCC-ARJAWSKDSA-N	235.247	-0.436	50	10	BBGE	
NC(=O)CNC(=O)[C@@H]1C[C@@H]1Br	1877333630	CXLOMTTZITWUGR-DMTCNVIQSA-N	221.054	-0.629	50	10	BBGE	
O=C(CCCl)NC[C@H]1CNC(=O)O1	1882700257	KODDTMNDRNRYFJ-YFKPBYRVSA-N	206.629	-0.160	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552808	OKUAWHASHHKOCX-BWBBJGPYSA-N	206.673	-0.562	50	10	BBGE	
OC[C@@H]1CN(C[C@@H]2C[C@H]2Cl)C[C@@H]1O	1883565065	YZACSRNYZPVTCG-MAUMQABQSA-N	205.685	-0.101	50	10	BBGE	
NC1CN(S(=O)(=O)NC2CC(Cl)C2)C1	1884413641	YTLGYTHLFHELBA-UHFFFAOYSA-N	239.728	-0.767	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)C1(C)C	1885615396	AKGDVDYJBIQTBF-DSYKOEDSSA-N	221.684	-0.044	50	10	BBGE	
CO[C@H](C)COCCOCC(=O)NN	1886077612	XDYNMWSHRWJOQV-SSDOTTSWSA-N	206.242	-0.956	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)CC(=O)NN)O1	1892624067	YTRUENZPAQJHKK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CC(C)(C)[C@@H]1[C@H](O)CCN1CCC(=O)NN	1896188807	NQUZPSADFDACEO-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)CC(=O)NN)[C@@H]2C1	1896586158	KWIZTJRFZOXDNJ-KYXWUPHJSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@]2(CO)C1	1897332480	UPHJPXLBEAYNCT-GXSJLCMTSA-N	227.308	-0.539	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H](C)CO1	1898344139	XANDFXGSQRHNSO-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
O=C(NCB(O)O)OCCc1ccccc1	1900483167	DEEPWBFAZQWENV-UHFFFAOYSA-N	223.037	-0.033	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@]12C[C@@H](N)[C@@H]1C2	1901340661	IHSBAWRCXYBCBK-LKEWCRSYSA-N	247.320	-0.964	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)CC1(O)CC1	1901653346	YKFIHNAEILPAGZ-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)C(F)F	1903008912	CDRDTKPQCOHADL-BYPYZUCNSA-N	233.986	-0.034	50	10	BBGE	
OB(O)c1cc(S[C@@H]2CCOC2)ncc1F	1903010604	RMSSVTPVHZHGNK-ZCFIWIBFSA-N	243.068	-0.219	50	10	BBGE	
N[C@H]1COCC[C@]1(N[C@H]1C[C@H](Cl)C1)C(=O)O	1904266666	NBAAIHMWOAZDQV-AZQAYCESSA-N	248.710	-0.083	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@H]1CF	1909489028	MZJLWBMBGKVCJY-POYBYMJQSA-N	238.027	-0.695	50	10	BBGE	
COC(=O)CS(=O)(=O)NCC=CCCl	1911655827	AKOGMKALYVXJEO-UHFFFAOYSA-N	241.696	-0.126	50	10	BBGE	
C[C@]1(C(=O)Nc2ncccc2B(O)O)C[C@H]1F	1913596978	ZHMUUZLAGMRENX-XCBNKYQSSA-N	238.027	-0.552	50	10	BBGE	
CN(CCCl)S(=O)(=O)N1CC(O)C1	1914176639	NIMHAOAIKCUSGJ-UHFFFAOYSA-N	228.701	-0.922	50	10	BBGE	
N#C[C@H](Cl)CN1CC(CO)(CO)C1	1914968656	RLUOMYYQJFRZMM-ZETCQYMHSA-N	204.657	-0.596	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@](F)(CO)C1	1917099890	CIUGAFVNUYJTBR-ZETCQYMHSA-N	241.213	-0.982	50	10	BBGE	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC=O	1923409121	HEYFPSSTYOJSCT-LURJTMIESA-N	231.252	-0.323	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)CC2(CC2)C1	1926433353	KFTGPHOQAWOLLV-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)CCCN1CC2(CC(O)C2)C1	1928570221	SIFNFZWHPGFGOP-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
CN1C[C@@H](N2C[C@@](C)(CCl)C2=O)C(=O)N1	1931733415	KIVVASRNSWNZSA-HZGVNTEJSA-N	231.683	-0.581	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](OC)C1	1934917889	OTMAKMRTOADOMW-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
Cc1cnc(=O)n(C[C@H]2C[C@H]2C(=O)NN)c1	1936083046	QANGMPWVCJJNEV-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC=CCO2)C1	1938348294	RGRFMGORFPLRHT-VIFPVBQESA-N	225.292	-0.214	50	10	BBGE	
CN(C)[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1941085932	GHZPFQJRWCDDPP-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CO[C@@H]1CCC[C@@H](OCCOCC(=O)NN)C1	1941772183	FPFOYGGCFPRJCL-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H]1C(=O)N(CCOCC(=O)NN)[C@@H](C)[C@H]1C	1941772707	NBPQALZZHGVUIU-CIUDSAMLSA-N	243.307	-0.504	50	10	BBGE	
CC1(C)COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1942416955	WYSDHNVCSCILRH-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nnc2n1CCC2	1943113233	LIVKWNRTJPQGOL-SSDOTTSWSA-N	238.295	-0.966	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC12CC2	1944723432	IXDCXTBVBZVJQB-IVZWLZJFSA-N	239.319	-0.277	50	10	BBGE	
Cc1ncc(OCCOC(F)F)cc1B(O)O	1945115635	KZNDDPMDZOLRRX-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
COc1cc(B(O)O)c(Cl)cc1C(=O)O	1951328925	IHJYUKIVZCTYSD-UHFFFAOYSA-N	230.412	-0.273	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@@H](O)[C@@H](O)C#N	1951361757	XNOSQKKKUHIESI-NKWVEPMBSA-N	216.237	-0.244	50	10	BBGE	
CN(C[C@@H]1CO[C@@H]2COC[C@H]21)C(=O)NN	1958050780	IYRFRRVMQTUJQF-GJMOJQLCSA-N	215.253	-0.837	50	10	BBGE	
C[C@H](CN1CCN(C)[C@H]2C[C@@H]21)C(=O)NN	1960968099	RYNKQQMEHXUMOA-VGMNWLOBSA-N	212.297	-0.999	50	10	BBGE	
Cc1nc(=N)[nH]c(C)c1C(=O)NN(C)C	1961177865	JRDIPXURWZDICR-UHFFFAOYSA-N	209.253	-0.288	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)C(=O)NN	1961276684	JRKIZTSRVUCEQZ-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccn1C	1961388208	AGECCERQXMTKGA-QMMMGPOBSA-N	210.281	-0.165	50	10	BBGE	
Cc1nc(O[C@@H]2C[C@H]2C)ccc1B(O)O	1961688299	SKWDRDBQSMNKMR-HZGVNTEJSA-N	207.038	-0.143	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@]2(CO)C1	1976391578	ZMROCUQQWOVUBL-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1976978649	BMBFOZITSAILCM-BQBZGAKWSA-N	231.057	-0.535	50	10	BBGE	
CCCOCC1CN(C[C@@H](C)C(=O)NN)C1	1979181505	SILGNDXZPTZUHF-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCn1cccn1	1980760055	MLWUUFGXKRAIAH-VIFPVBQESA-N	225.296	-0.417	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]2(CCOC2)C1	1981044499	ADTAQDXJOUJYNG-LLVKDONJSA-N	227.308	-0.131	50	10	BBGE	
COCCN(C)c1cc(C)c(B(O)O)cn1	1981413686	JNUGKNMTGYTCOE-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
COCCN(CCF)c1nc(B(O)O)cs1	1981469304	QEFDWSFQMQEBAH-UHFFFAOYSA-N	248.088	-0.755	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)C[C@H](C)Cl	1982342832	GLJSIMDFNKICMM-JGVFFNPUSA-N	248.710	-0.023	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC[C@@H]2O)C1	1984543405	SROKWAYGRNZFNF-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1C1(O)CC1)C(=O)NN	1987342898	ZWWPRPPXLZYGKW-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H]1CF	1989258227	UQSOJNFZMXFPAB-JGVFFNPUSA-N	225.028	-0.866	50	10	BBGE	
CCn1nnnc1CN(C)C[C@@H](Cl)C(=O)O	1991016244	ALIJPZYWYRJUGK-ZCFIWIBFSA-N	247.686	-0.183	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CNCCCO1	1991650957	GGYOPRSICCFNAX-QMMMGPOBSA-N	246.694	-0.197	50	10	BBGE	
C=C(Cn1c(OC)nc(C)cc1=O)B(O)O	1992159113	GGHOZFHGARWBDM-UHFFFAOYSA-N	224.025	-0.871	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1CC12CCC2	1998136166	XYSRSAHDPHSXGE-BQBZGAKWSA-N	241.052	-0.781	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H]2CC[C@@H]21	2004916735	PDZHWZRHIFJHEZ-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@H](F)C2)nc1	2004919217	VZHFMLGICIAFBW-VIFPVBQESA-N	239.059	-0.515	50	10	BBGE	
Cc1ncnc(N2CCC23CCC3)c1B(O)O	2004974402	JXVZFKZRLVUUQE-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@@H]1F	2006794467	NBNKWEHZWMODSL-DTWKUNHWSA-N	239.059	-0.517	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C(=O)[C@H]2C[C@H]2C1=O	2008866139	GYLZJTGZQUAICD-SYDPRGILSA-N	247.201	-0.993	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1nc(C(=O)NN)co1	2011155458	NGFCHEJEWDTKKS-XPUUQOCRSA-N	240.263	-0.767	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(C2(O)CC2)CC1	2013930886	WEIVOKOFCWOVNH-SNVBAGLBSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)[C@@H]1C1CC1)C(=O)NN	2014003546	ZVSKNQPPNBTDFU-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NNC(C)=O)[C@H](C)C1	2019215333	VEYYFPABLWLYFQ-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
NNC(=O)COCCO[C@@H]1COC2(CCC2)C1	2020645796	JHMHIERDUOPRTO-VIFPVBQESA-N	244.291	-0.279	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccc2nncn2c1	2041809615	GSWJMDQFRONIJV-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
CCN1C(=O)CSC1=C(C#N)C(N)=O	2042931806	JJCKEJBTRHGDPX-UHFFFAOYSA-N	211.246	-0.198	50	10	BBGE	
Cc1ccnc(N2CCN(C)[C@H](C)C2)c1B(O)O	2052473418	SFBTXSHBWVHYPQ-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ncnc(N2C[C@H]3[C@@H](C2)C3(C)C)c1B(O)O	2052557770	AMALWCKNLPALRU-DTORHVGOSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@@H]3C2)ncc1B(O)O	2068130373	XGHPGDZDMOZAPK-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2086993508	GKEQUIRPQIFPBB-GYBQLDPRSA-N	243.071	-0.350	50	10	BBGE	
O=c1ccccn1Cc1nscc1B(O)O	2211134845	DGUWAMDACAHZFC-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
CCOCCCOCc1nscc1B(O)O	2211139780	IDXXVORQQPDWPZ-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2212096513	BLFYRLNZXRFXRG-UTINFBMNSA-N	227.308	-0.257	50	10	BBGE	
OB(O)c1ccnc(OC2CC=CC2)c1F	2212605405	CZDCUHUXSBVLPK-UHFFFAOYSA-N	223.012	-0.002	50	10	BBGE	
C[C@@H](CN)CCOc1cc(B(O)O)ccn1	2212607587	LMQBKFZWEYERHS-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
OB(O)c1ccnc(N2O[C@H]3C=C[C@H]2C3)c1	2212612844	PJAMTRVPEWKPBZ-IUCAKERBSA-N	218.021	-0.790	50	10	BBGE	
CC(C)(CCN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2213884885	VQBVOWMMWOJVLT-RKDXNWHRSA-N	247.314	-0.203	50	10	BBGE	
CCN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1=O	2215774040	CMNVPSWRPDPSSW-DTWKUNHWSA-N	240.307	-0.240	50	10	BBGE	
COC[C@@]12CCC[C@H]1CN(C(=O)C(=O)NN)C2	2217080154	GESRIPNCKDWXGO-KWQFWETISA-N	241.291	-0.749	50	10	BBGE	
C#CC[C@H](COC)Nc1ccc(B(O)O)cn1	2217171486	BDQABNIKFBSEAS-SNVBAGLBSA-N	234.064	-0.788	50	10	BBGE	
CC1([C@@H](CO)Nc2cc(B(O)O)ccn2)CC1	2217172241	INADYAUTWLNJPK-SECBINFHSA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H](O)C2)cc1B(O)O	2217181620	SDJOWZQEXLECMK-DTWKUNHWSA-N	236.080	-0.605	50	10	BBGE	
CCOC[C@H](C)Nc1nccc(B(O)O)c1F	2217182881	DGGILOHFMSYZKU-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
C[C@]1(O)CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217183026	INHDUKRFDYQLEP-KOLCDFICSA-N	236.080	-0.523	50	10	BBGE	
Cc1cnc(N[C@H]2CCN(C)C2)cc1B(O)O	2217183946	LSNHOQXJHKYJPS-VIFPVBQESA-N	235.096	-0.814	50	10	BBGE	
NCCC1(Oc2nccc(B(O)O)c2F)CC1	2217187174	UOTJYJJLSBSFIV-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCC23CC3)nc1	2217199058	JXUZABPIDRLSNR-VIFPVBQESA-N	233.080	-0.099	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@@H]1O	2217200748	LOIQZBHBKGQYHF-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1cc(B(O)O)ccn1	2217201550	YQEZZTKKJVKRCM-NSHDSACASA-N	230.076	-0.391	50	10	BBGE	
C[C@@]1(Nc2ncccc2B(O)O)CCC[C@H]1O	2217205404	YKHZQOSPDLALLN-MWLCHTKSSA-N	236.080	-0.523	50	10	BBGE	
Cc1ncc(CNc2cc(B(O)O)ccn2)n1C	2223633437	WOMPFQOOTDQFNC-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1cc(B(O)O)ccn1	2223663846	ZSWVGJWOLRKQTC-URPMGSGRSA-N	248.091	-0.734	50	10	BBGE	
O=C(NCC1CSC1)C1(B(O)O)CC1	2241480767	LGUJNVQFUDZOBR-UHFFFAOYSA-N	215.083	-0.527	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](C1)[C@H]2O	2241815925	SQKPMRRLECXRRN-BZNPZCIMSA-N	205.685	-0.101	50	10	BBGE	
C[C@H](CCO)CNC(=O)C1(B(O)O)CCC1	2243348236	VUIATWXWTHHCLE-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1nscc1B(O)O	2243348479	YFWAHYSIHMLEJI-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
N#CC1=CCN(C(=O)C2(B(O)O)CC2)CC1	2243364152	RYTZZFOUGVPDHH-UHFFFAOYSA-N	220.037	-0.324	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)[C@H]1C[C@@H]1B(O)O	2243382263	MMMSDWCGHXWHCY-CEEZNXPBSA-N	221.065	-0.380	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2243392434	TYJBSJNYFYPKKD-BQBZGAKWSA-N	224.025	-0.538	50	10	BBGE	
CCN(C)C(=O)c1ccc(F)cc1B(O)O	2243410529	CRPDMZQKOPUHCC-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
Cc1sc(C(=O)NN2CCC2)cc1B(O)O	2243413332	DPESARKAXSDLHR-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)sn1	2243414728	HERMTZIIYQQIIK-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2243419500	ANFFKDIXHZBNAP-IWSPIJDZSA-N	228.101	-0.694	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](CC)CC#N)B(O)O	2243419933	JJENYDZHACGDHS-MRVPVSSYSA-N	246.097	-0.834	50	10	BBGE	
CC[S@](=O)Nc1ccc(F)c(F)c1B(O)O	2243534011	LWZCFPZVTIMOFX-INIZCTEOSA-N	249.047	-0.260	50	10	BBGE	
C#CCC(=O)Nc1ccc(F)cc1B(O)O	2243684634	DGSYUKMZAXWOAB-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cocc1B(O)O	2244205463	JRRYQVPSOJDGBZ-RCOVLWMOSA-N	223.037	-0.512	50	10	BBGE	
Cc1ccc(C(=O)NCCC#CB(O)O)o1	2244548920	WJSZECHBROSNHA-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NCCC#CB(O)O)C1	2244549093	YERVHBMEHGKKQR-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCB(O)O	2245253416	IFRAQZPDTUEUEC-RNFRBKRXSA-N	229.041	-0.994	50	10	BBGE	
CC[S@](=O)NCc1ccc(C)c(B(O)O)c1	2246249136	ZDKTXWPUTUGDDQ-INIZCTEOSA-N	241.121	-0.552	50	10	BBGE	
OB(O)c1cccnc1NCCc1cnsc1	2246905049	DKMLCGVGMPZNAQ-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
CC1(C)CC[C@H]1COc1ncncc1B(O)O	2247341454	PNMSQWARXAKGPA-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
CON(CC(C)C)C(=O)c1coc(B(O)O)c1	2247733757	PVWHGZBSWHGGEC-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CCN	2247751352	WOPSYLLWGIOEDG-IUCAKERBSA-N	240.112	-0.563	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1occc1B(O)O	2247753152	CAPLKGSQXJUIDR-PRJMDXOYSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ccn(C)n1	2247754565	MYCSZJXTHWLSJQ-SSDOTTSWSA-N	237.068	-0.396	50	10	BBGE	
CCC[C@@H](C)N(C)C(=O)c1c[nH]nc1B(O)O	2247782246	SLJPWXVJFTVQSR-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
CCC(C)(CC)NC(=O)c1c[nH]nc1B(O)O	2247782449	UZKADDOIDAXEOH-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247808929	NFKFCXYKCIYIFM-FNCVBFRFSA-N	245.059	-0.517	50	10	BBGE	
O=C(NCC1CC(CO)C1)C1CC(B(O)O)C1	2247809496	PQOCXAMVZTWOKC-UHFFFAOYSA-N	241.096	-0.626	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)[C@@H]1C[C@@H]1B(O)O	2247810460	XOBNQWXVVZDGEY-XXHVFDBPSA-N	233.076	-0.524	50	10	BBGE	
O=C(NOCCF)c1c(F)cccc1B(O)O	2247852862	BAZZSTZJTMHCGP-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CCC1)N(C)C	2247856428	JPVWDNQPXSBPKK-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccoc2B(O)O)C[C@@H]1C	2247869470	SCLAPDJAQHSPBV-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
O=C(NCC1CC(CO)C1)C1(B(O)O)CCC1	2247877907	GITXJCYQVABCTR-UHFFFAOYSA-N	241.096	-0.482	50	10	BBGE	
CCOc1n[nH]c(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247886867	HHIUPDHGAYLYRW-WHFBIAKZSA-N	240.028	-0.995	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247894283	FEVVXKFJWAWXRO-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCC1(F)CC(CO)C1)[C@@H]1C[C@H]1B(O)O	2247896553	ZNXBQBQFQZIQKR-FATLICPNSA-N	245.059	-0.924	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@H]1B(O)O	2247897831	XGTCWOAWZXUGRJ-JGVFFNPUSA-N	237.068	-0.162	50	10	BBGE	
NC1CCC(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247899146	KSTBEKYGHUHFLS-YDYPAMBWSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1OC2(C)CC1(NC(=O)[C@H]1C[C@@H]1B(O)O)C2	2247900807	ZVGSHTCSSNYESS-CJYRJSOUSA-N	239.080	-0.325	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CCOC1	2247971276	CNRJFNRBUVBHIB-UHFFFAOYSA-N	236.036	-0.812	50	10	BBGE	
CCCN(O)C(=O)Nc1ccc(B(O)O)cc1	2247982714	YYESUVDTWDCKQH-UHFFFAOYSA-N	238.052	-0.001	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)co2)CCC1	2250673476	CEOUAYPVDCNODR-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1[C@H]2CCC[C@H]12	2255467225	JWNNSFMILVHDAW-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1cc(B(O)O)cn1C	2255504359	MPDYVVDZLPLGPR-JTQLQIEISA-N	248.091	-0.505	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1[C@@H]2CC[C@@H]12	2255514519	JYBJSPKQSWMQIP-NXEZZACHSA-N	245.087	-0.187	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2c[nH]nc2B(O)O)C1	2255554800	RIKKVHMXYQZKAI-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
CCCN(CCC#N)C(=O)c1cc(B(O)O)c[nH]1	2255674067	VSPIHOYNFPGRKC-UHFFFAOYSA-N	249.079	-0.540	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@H]1C1CC1	2255718185	VUICEWHOWBRNFH-JTQLQIEISA-N	246.075	-0.614	50	10	BBGE	
COC1CN(C(=O)c2cc(C)ccc2B(O)O)C1	2255735857	CCCKGOQVBWDXIL-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1coc(B(O)O)c1	2257045738	FKRMDBDEXUSZLH-CBAPKCEASA-N	249.075	-0.170	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1[C@H]2COCC[C@H]21	2297119599	SRWWTKXJFFVANP-SRQIZXRXSA-N	215.278	-0.867	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C[C@@H]1CC[C@H]1C(=O)NN	2298166002	LYELXMVYIIMXBE-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]12	2298368944	CTQXPHCIINTQHT-UFMRAMJRSA-N	238.096	-0.909	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370709	IIEHLAFLLZVLIL-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1CNC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376975	AAPUAPHBCFBIKG-UTINFBMNSA-N	240.112	-0.789	50	10	BBGE	
N[C@H]1CC[C@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377218	IKHNRRJEFKUBMK-RGOKHQFPSA-N	240.112	-0.517	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N(CCF)CCF	2301660111	BAJCRMUYOQQIBT-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
C=C(CN1C[C@H](OC)[C@@H](OC)[C@H]1CF)B(O)O	2302225517	WMTQLVLABJJWDK-UTLUCORTSA-N	247.075	-0.762	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@H]2C[C@@H]3COC[C@@H]3O2)C1	2303098396	XEEDNDRPLZRDAF-YTWAJWBKSA-N	241.096	-0.661	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCN2CCOCC2)C1	2303132467	HBPCOICVKROAHW-LLVKDONJSA-N	242.128	-0.743	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1CCOCC(=O)NN	2304253829	TWIRQSJPUZJCSL-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCC[C@@H]1N	2317168784	YRAFTSFJBDVRER-JQWIXIFHSA-N	245.091	-0.470	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349744	IGUGCNFUTBAGAI-UFBFGSQYSA-N	249.075	-0.374	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCN1CCCC1	58837093	HTYKFHXKRVJAMM-VIFPVBQESA-N	214.313	-0.560	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1cc(C#N)cn1C	81778035	ZIXHBZHMARGKBG-UHFFFAOYSA-N	249.274	-0.781	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nccn1C	82469275	XRCVPBHUPZGCIS-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
CC[C@@H](Sc1nnc(N)s1)C(=O)NN	82472890	YFZIDBTWHQSEJC-GSVOUGTGSA-N	233.322	-0.019	50	10	BBGE	
CN(CCc1nnn[nH]1)C(=O)CCCl	95180965	FRCKYUQZRIOBMX-UHFFFAOYSA-N	217.660	-0.171	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1cccnc1=O	132849818	CKEUADGITGFLMV-YFKPBYRVSA-N	202.597	-0.065	50	10	BBGE	
COc1cccc(O)c1C(=O)NNC(N)=S	140205101	SVMQXGWAQQDNFP-UHFFFAOYSA-N	241.272	-0.121	50	10	BBGE	
C[C@@H](NC(=O)NN)C(=O)N1CCCC1	162841078	RWUSLLFGABJFQE-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
COC[C@H](C)Oc1ccc(B(O)O)cc1	203562473	ZUXVCIYKOUUXGK-QMMMGPOBSA-N	210.038	-0.220	50	10	BBGE	
CCC[C@H](SC[C@@H](O)CO)C(=O)NN	211811901	FZVOCVIINFDXDG-BQBZGAKWSA-N	222.310	-0.769	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C(F)(F)F	220982312	MPJQQIMTRKYPED-UHFFFAOYSA-N	232.954	-0.133	50	10	BBGE	
CC(C)N(CCO)C[C@H]1CC[C@@H](C(=O)NN)O1	223119383	NPTOGILJRJFJFM-ZJUUUORDSA-N	245.323	-0.773	50	10	BBGE	
O=C1CC[C@H]2CN(C[C@@H](O)CCl)CCN12	225643470	LUIYOILTHWJTQO-IUCAKERBSA-N	232.711	-0.107	50	10	BBGE	
CNC(=O)CCN(C)C(=O)NC(=O)CCl	234330261	OLEODSAEPRPXQU-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
O=C1CN(CCOCC(F)F)CC(=O)O1	236127258	DZPRATHLWRZCTH-UHFFFAOYSA-N	223.175	-0.347	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](CO)OC[C@H]1C	251713873	JOLWTBFNSHMHHX-BBBLOLIVSA-N	245.323	-0.773	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H](C)C1	253201484	UMOPINCQEPDIFS-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCSC	300838244	LOEUYUZXPVCIDC-QMMMGPOBSA-N	235.353	-0.324	50	10	BBGE	
OC[C@H](Br)[C@@H]1O[C@@H]1[C@H]1CO1	306320103	IUTRBRPRCFYGAG-BGPJRJDNSA-N	209.039	-0.092	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC(F)(F)C1	306927805	VUWSRUHLHCDBDZ-BYPYZUCNSA-N	207.180	-0.720	50	10	BBGE	
COC(=O)O/C=C(/C=NNC(N)=O)OC	308685273	ZRLLFSWZDJSBOH-YPTKELPTSA-N	217.181	-0.089	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)C1(C)C	379980147	RZKYAPMXTHOITG-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
CC(=O)c1c(B(O)O)cncc1C(F)(F)F	381082922	RXGJBMZJPPBADI-UHFFFAOYSA-N	232.954	-0.017	50	10	BBGE	
CNCC(=O)NNC(=O)c1scnc1C	381482122	FEIGLVOXVCSHJK-UHFFFAOYSA-N	228.277	-0.568	50	10	BBGE	
C=CCOCCOc1cccc(B(O)O)c1	385410205	GDPNZVYPUAJYRR-UHFFFAOYSA-N	222.049	-0.052	50	10	BBGE	
CCONC(=O)NNC(=O)CSC	388329826	DLUCUOBZMKEEEP-UHFFFAOYSA-N	207.255	-0.369	50	10	BBGE	
C#CCNCC(=O)NNC(=O)c1ccco1	390817515	OMSQPARHYMXNAQ-UHFFFAOYSA-N	221.216	-0.737	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F	395068045	YPGSJNJFMFWNLO-HTQZYQBOSA-N	248.997	-0.711	50	10	BBGE	
CNCCN(C)[C@H](C(=O)NN)C(C)(C)C	395698110	FXCWBHPQMVTZEQ-MRVPVSSYSA-N	216.329	-0.458	50	10	BBGE	
O=C(O)CCc1ccc(S)cc1B(O)O	396023584	JJLHZYVTXWFTEA-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
N#Cc1c(CO)ccc2sc(B(O)O)cc12	396214245	DNXRAAZEZHRRQP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc(B(O)O)c(O)c2sccc12	396348181	TZBIBEYMVJQXNX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CSSCCNC(=O)[C@@H]1C[C@H](O)CN1	397842345	CPQPYZXWIWQJEU-BQBZGAKWSA-N	236.362	-0.163	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)[C@H](C)CO1	404016717	DLSTVLUPNLYRTA-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)OC1CCC1	405075576	LWKZJPRPCIOPGW-UHFFFAOYSA-N	236.036	-0.138	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)c(C)c1	405171769	VUTYECHLMCTUDA-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
O=C1NCNN2[C@@H](Br)CC[C@@H]12	575626322	DUBMIRUXRQAUHU-CRCLSJGQSA-N	220.070	-0.236	50	10	BBGE	
N#CC1(O)CCN(CCOCCO)CC1	687804173	JCHUQTQEQSIHRG-UHFFFAOYSA-N	214.265	-0.654	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690211733	LKHOCJYLUHXBIG-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CN(CC1C[C@H]2C[C@@H]2C1)C(=O)C(=O)NN	697974101	JBDGZBZAUZICOE-YUMQZZPRSA-N	211.265	-0.519	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cccnn1	700700582	QCNRCQQIXUFACK-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(NC(N)=O)cc1	700890452	VEVUMGSCFFXDRP-UHFFFAOYSA-N	237.219	-0.510	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)OCCl	703061509	ZHEYUYOKFDWAIW-BYPYZUCNSA-N	211.601	-0.557	50	10	BBGE	
Cc1cocc1C(=O)Nc1cc(B(O)O)ccn1	705219335	RJQZZXQERMPZMF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H]1C	706738737	NUFWXPGRAJWCCV-GJMOJQLCSA-N	201.270	-0.669	50	10	BBGE	
COc1ccc(CN2CC[C@@H]2C)cc1B(O)O	706813589	CKSNIHXCPOIJPU-VIFPVBQESA-N	235.092	-0.031	50	10	BBGE	
COCCN(C)Cc1cnc(C(=O)NN)s1	711161384	VENPOFROJNCTGP-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2OCC[C@H]2C1	724822537	NFFDZPDJRLXKPW-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
CN1N=C=C([C@H](Cl)[C@@H]2CCS(=O)(=O)C2)N1	725449148	YXDLSVLBPWACSF-HTRCEHHLSA-N	249.723	-0.053	50	10	BBGE	
CC(C)=CC(=O)NNC(=O)c1cnn[nH]1	729455474	GKFHHOMNUIMRIQ-UHFFFAOYSA-N	209.209	-0.468	50	10	BBGE	
N#Cc1cccc(C(=O)NNC(=O)CC(N)=O)c1	746218290	VOEDTBOHIWLGBL-UHFFFAOYSA-N	246.226	-0.805	50	10	BBGE	
C/C=C(\CC)C(=O)NNC(=O)c1cnn[nH]1	789759573	VSIOAGGHUVRXNV-ZZXKWVIFSA-N	223.236	-0.078	50	10	BBGE	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)N(C)C	874249190	PHRVWZKDSMNACK-NKWVEPMBSA-N	243.263	-0.512	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNc2nc[nH]n2)C1	897777580	PVMNNZBNEPRMHB-RITPCOANSA-N	211.225	-0.327	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)Cc1ccccn1	1116103842	QFVJXZBVKSVWAS-QMMMGPOBSA-N	232.243	-0.069	50	10	BBGE	
COC(C)(C)C(=O)NNc1nnc(C)c(O)n1	1322578639	TYWWDXBADSIDAE-UHFFFAOYSA-N	241.251	-0.246	50	10	BBGE	
N#Cc1csc(C=NNC(=O)CCO)n1	1324254095	QKLCDMAEAWTWHB-UHFFFAOYSA-N	224.245	-0.153	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc(C#N)nc1	1339126001	HLLNENZOLGZOTE-UHFFFAOYSA-N	233.231	-0.131	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)c2ncc[nH]2)nn1	1558952248	PTVIARPFFHRWIQ-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
CNC(=O)NNC(=O)CCc1ccc(O)nc1	1626582320	LJNAUUCXUJGGPM-UHFFFAOYSA-N	238.247	-0.320	50	10	BBGE	
O=C(C#CC1CC1)NNC(=O)NC1CC1	1626790441	KLFZKVFQQUDVTR-UHFFFAOYSA-N	207.233	-0.107	50	10	BBGE	
O=C(NOCC(F)F)c1cccc(B(O)O)c1	1633833797	SVWANUGBYHQOGZ-UHFFFAOYSA-N	244.990	-0.707	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cnnc(O)c1	1637062998	UHYFDSYXMXKWIS-UHFFFAOYSA-N	239.235	-0.512	50	10	BBGE	
COC(=O)NNC(=O)Cc1ccc(C#N)nc1	1650652913	PWYFYUOWBJUJFE-UHFFFAOYSA-N	234.215	-0.117	50	10	BBGE	
CON(C(=O)c1cccc(B(O)O)c1)C1CCC1	1875522598	OFTMFVADJNGCRZ-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
CN(C)CCNC(=O)/C=C/C(=O)Cl	1883648678	DLGASMUBBAQURR-ONEGZZNKSA-N	204.657	-0.014	50	10	BBGE	
C#CCNC(=O)CNC(=O)C[C@H](C)Cl	1887693680	KBPAAYMNTJMTQG-ZETCQYMHSA-N	216.668	-0.131	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CCOC[C@H]1CO	1890043768	DGWWKFTYZNLAET-RNFRBKRXSA-N	243.712	-0.501	50	10	BBGE	
CCC(CO)(CO)NC(=O)[C@@H]1C[C@H]1Cl	1893474202	GDIZNXHDSJVRPN-RNFRBKRXSA-N	221.684	-0.137	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1O)C1CC(Cl)C1	1893490817	MUGVTYILADSEMJ-DWYQZRHDSA-N	219.668	-0.120	50	10	BBGE	
OB(O)c1csc(O[C@@H]2C=CCC2)n1	1893783225	NRHKRZZCYCLJAB-ZCFIWIBFSA-N	211.051	-0.080	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]21	1895649149	CZZMRYDQRGZQKN-KGDYZURWSA-N	225.292	-0.933	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CC[C@@H](CO1)C2	1896734862	ICIIKFVXSIGKKV-XRGYYRRGSA-N	215.278	-0.580	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1C[C@H](O)CCO1	1897220578	LQZBLHCUVBYBNX-SFYZADRCSA-N	247.678	-0.036	50	10	BBGE	
C[C@@H]1CNC[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901375356	KQQCFVAWDOWOJT-JGVFFNPUSA-N	249.336	-0.845	50	10	BBGE	
CN(C)CC1(O)CN(C(=O)C=CC(=O)Cl)C1	1902927251	DTGDLBIJQIQTAJ-UHFFFAOYSA-N	246.694	-0.557	50	10	BBGE	
CC[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903006146	PKPQRYNFTVKPML-SSDOTTSWSA-N	226.060	-0.220	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H]2C[C@@H]3CO)CC1	1907249681	HXSBZBWFPRZBAB-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2CC1(C(=O)NN)CC1	1908900205	WSZPFSOXOMXISK-UWVGGRQHSA-N	238.335	-0.465	50	10	BBGE	
Cc1nc(C#N)n(C[C@@H](C)C(=O)NN)c1C	1912256743	SHZLYYGRLGMYFE-ZCFIWIBFSA-N	221.264	-0.002	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1ccc(C(=O)NN)o1	1914261852	IWBXWQWIUUEKQB-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
CC(C)(CCl)C(=O)N1CC(O)(C(N)=O)C1	1915235846	FRTSXXMSJJNNLS-UHFFFAOYSA-N	234.683	-0.690	50	10	BBGE	
NNC(=O)C1(CN2CC3(CCOCC3)C2)CC1	1915589174	IPLCEEFJXKMFHX-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
C#CC1(O)CN(C(=O)NC(=O)CCCl)C1	1917121464	HBQJAZZVXDQOGL-UHFFFAOYSA-N	230.651	-0.469	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(C(F)F)C1	1927909128	VDXBKXISLCPTME-CAHLUQPWSA-N	219.235	-0.191	50	10	BBGE	
CC(C)[C@@H](C)N(C)CCOCC(=O)NN	1928183080	NEXGOUCGKXZAAM-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
CON(C)Cc1nsc(C(=O)NN)n1	1928677268	WVGJBPSREPEJHF-UHFFFAOYSA-N	217.254	-0.865	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COC[C@@H]1Cl	1928685311	ODUMKNRKFASAJO-BQBZGAKWSA-N	230.655	-0.600	50	10	BBGE	
CN(C)NC(=O)CC[C@]1(N)CCOC1	1932474309	PQXVAVBJNBUQLP-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)CCO1	1935928617	KSGADVIARIPZKY-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)Cn1cnnc1	1937140527	GIXVWWMCRSRSLH-ZCFIWIBFSA-N	246.654	-0.825	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCOCC12CCC2	1937987379	DXARPQVAJNLHQW-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c1	1941093641	SEIJBLSBCSOPRO-DTWKUNHWSA-N	232.243	-0.654	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnco1	1944182641	VZDCRCVMIIUGKZ-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)C2(CC2)C1	1944604213	ONNRIARGOWUXCO-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
CN(CCCCCC(=O)NN)CC(CO)CO	1945309636	FIGWGKANORVLND-UHFFFAOYSA-N	247.339	-0.931	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](CO)C3(CC3)C2)CC1	1945883984	JKVKPJWFXKTRTC-VIFPVBQESA-N	239.319	-0.539	50	10	BBGE	
COC[C@@]1(OC)CCN(CCCC(=O)NN)C1	1946472463	AQMHCRUSQDYLOW-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
COCCN(C[C@@H](C)C(=O)NN)[C@H]1CCOC1	1946755997	YOBHVUFADCKGKM-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cc1ncc(CN2CC[C@H](B(O)O)C2)n1C	1951321039	XBCYXTMBEWDUGP-VIFPVBQESA-N	223.085	-0.223	50	10	BBGE	
O=C1CN(C(=O)CCl)[C@@H]2CC[C@@H]2N1	1953945114	AMLSYMSLHDFCHY-NTSWFWBYSA-N	202.641	-0.285	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](C)CS(N)(=O)=O	1955567986	GFINOHJDNDKKHG-WDSKDSINSA-N	242.728	-0.203	50	10	BBGE	
CCCS(=O)(=O)CCN(C)C(=O)NN	1956775683	FJNWQTSDPYJGCE-UHFFFAOYSA-N	223.298	-0.674	50	10	BBGE	
O=C(CCl)NCC1CN(C2COC2)C1	1956849243	UREBHMSTLXUALF-UHFFFAOYSA-N	218.684	-0.328	50	10	BBGE	
COC1CCC(N(C)CC(=O)NN)CC1	1958640198	UNTMSBLDQNACGX-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)COCCN(C1CC1)C1CC1	1959018694	ZMKYLQPHDNNNBK-UHFFFAOYSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H](F)[C@H](F)C1	1960934124	VCUIRXLJAOAMMY-RULNZFCNSA-N	219.235	-0.396	50	10	BBGE	
OCC(CO)[C@@H]1CCN(C[C@H](O)CCl)C1	1961298987	UNSUNBNFPMOBBC-PSASIEDQSA-N	237.727	-0.491	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1[C@H]2COC[C@H]12	1962322153	LMXAQPKEVFDEHW-FTLITQJKSA-N	213.281	-0.811	50	10	BBGE	
C=C(C)CCn1cc(B(O)O)ccc1=O	1975100873	KFKUQADTZJIBPW-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
CC(C)CCn1cccc(B(O)O)c1=O	1975101552	TWSJUZBWFTUSMD-UHFFFAOYSA-N	209.054	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1C[C@H](O)C1	1975304350	QOMTWQDLPCRINO-KZVJFYERSA-N	215.297	-0.544	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H]1CC2(F)F	1975576560	HDLOOEQYAOFAQG-JKUQZMGJSA-N	233.218	-0.474	50	10	BBGE	
CC(C)[C@@H](O)CN(C)CC(F)(F)C(=O)NN	1979848730	HVIUFKWMZKMTIP-ZETCQYMHSA-N	239.266	-0.440	50	10	BBGE	
CCON(CC)c1nccc(C)c1B(O)O	1981414355	QSFSNBKIMLJBHV-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
C[C@H](CCO)N(C)CCC(F)(F)C(=O)NN	1984129332	BWGJMDOZIWNORT-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CN(C)C1CC(OCC(F)(F)C(=O)NN)C1	1986222103	YYLYGWWPYNGKLP-UHFFFAOYSA-N	237.250	-0.279	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C1(CO)CC1	1986546749	RJLHNWDTHLUZRM-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
COC[C@@H](C)CCO[C@H](COC)C(=O)NN	1987522291	LETVHXJMEKLZPR-DTWKUNHWSA-N	234.296	-0.320	50	10	BBGE	
CC(=O)NNS(=O)(=O)Cc1cccc(N)c1	1989371059	HVIYDQWIIRETFH-UHFFFAOYSA-N	243.288	-0.261	50	10	BBGE	
C=C[C@@]1(O)CCN([C@H](CCC)C(=O)NN)C1	1990539577	LOSUMULKKGRYLQ-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
CN1CCCC[C@@H]1C(=O)NCC=CB(O)O	1991327492	ACYUBVSJBIKWIF-SECBINFHSA-N	226.085	-0.845	50	10	BBGE	
O=C(Cc1cccnc1)NCC=CB(O)O	1991330288	LJKQKPGPESOQJY-UHFFFAOYSA-N	220.037	-0.692	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)NCC=CB(O)O	1991332402	QWRDGQNLGKBMJA-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
CC1CCN(C(=O)NCC=CB(O)O)CC1	1991335006	XWAKMMLBHRMLEU-UHFFFAOYSA-N	226.085	-0.004	50	10	BBGE	
C=C(CN1CC[C@@H]2CN(C)CC[C@H]21)B(O)O	1992152235	BTOZNMLGPDMWIB-GHMZBOCLSA-N	224.113	-0.419	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CCC[C@H]21	1992154025	UYRDGDUEVZDRLO-IVZWLZJFSA-N	221.065	-0.446	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC[C@H]2C[C@H]21	1996257770	QERXAMCIHGKJDR-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
CN(C)C[C@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1996853819	SRWOCNYPEYVVJO-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@@H](CO)C1(C)C	1997288947	FAMCTNIFXQIWGM-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CN(C)C2	1997866893	XIJDACMJKJGQRV-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1[C@@H]1CCCN1C	2004364546	JHPLMDGDBFSYCT-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3C[C@H]32)n1	2005017554	HCLNPIVBLMTBIF-RKDXNWHRSA-N	233.080	-0.628	50	10	BBGE	
CCN(CC)[C@@H](C)CO[C@@H](COC)C(=O)NN	2007004854	GIPQHVIZXGZUEA-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
CN(Cc1cncnc1)CC(C)(C)C(=O)NN	2009048412	AVMIUIJMZRUDAB-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C[C@@H]1O	2010835188	LROGIXGLGNXNHR-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
Cn1cnc2cccc(C(=O)NNCCO)c21	2012296466	QMKDTMKWRBHYNU-UHFFFAOYSA-N	234.259	-0.200	50	10	BBGE	
C[C@H](COc1ncc(F)cc1B(O)O)N(C)C	2014928072	CVBIMNLOAHMARC-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C[C@@H](C)F)CC1	2015814864	JCEDOMOLGBXJRQ-ZJUUUORDSA-N	246.330	-0.270	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC[C@@H]2C[C@H]2CC1	2021157857	SBUYYFOUZFRNCF-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
Cc1ccnc(N2O[C@H]3C=C[C@H]2C3)c1B(O)O	2021855216	XPPCPQKJLAPUTL-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
Cc1nc(N(C)CC2[C@H]3CC[C@H]23)ncc1B(O)O	2052560511	YQYCZKIZECBAAW-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
O=Cc1c(B(O)O)ccc([N+](=O)[O-])c1F	2060054134	PQMXGEAREUQAJP-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2c1ccncc1B(O)O	2067370012	ITDRHORIDUPOIP-VHSXEESVSA-N	247.107	-0.956	50	10	BBGE	
O=C(CCl)N1C[C@H]2CCO[C@]2(CO)C1	2210046519	VRPVUWCRAXWOMD-APPZFPTMSA-N	219.668	-0.165	50	10	BBGE	
OC[C@]1(O)CCN(CC2CC(Cl)C2)C[C@H]1O	2210506721	SPRIHKTZZYHCRF-JPPWEJMLSA-N	249.738	-0.206	50	10	BBGE	
CN(Cc1nscc1B(O)O)C[C@H]1C[C@@H]1F	2211137049	ABMPOMJSJJYEAW-SVRRBLITSA-N	244.100	-0.387	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCc2scnc21	2212078201	SSDVDQFXNWBWNE-YFKPBYRVSA-N	240.288	-0.373	50	10	BBGE	
C#CCN(CCC)c1cc(B(O)O)ccn1	2212610832	PUCPTRLQOUQKIY-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
CC(C)N(CCO)Cc1cccc(B(O)O)c1	2214592293	DHKNRPJIKCUWKX-UHFFFAOYSA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H](C1)C2O	2215777595	TZSSNHXSMVSNLN-GUDGUWEQSA-N	239.319	-0.685	50	10	BBGE	
N#C[C@H]1CN(CC2(C(=O)NN)CCC2)CCO1	2216528680	SARCLIGBWBQVSE-VIFPVBQESA-N	238.291	-0.629	50	10	BBGE	
C[C@]1(CO)CCN1CC1(C(=O)NN)CCCC1	2216869238	AZBBKJYECUWUBD-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
CNC[C@H](Oc1ncccc1B(O)O)C1CC1	2217171137	AUMZRLZCXVGXHP-JTQLQIEISA-N	236.080	-0.862	50	10	BBGE	
CN(C)C(C)(C)CNc1ccc(B(O)O)cn1	2217177280	HJWREROTNUBJIX-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@@H]1CCOC1	2217178212	SLFKVCQLPLLPPR-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(N2CC(CCF)C2)cc1B(O)O	2217182882	HMLBQIRLAHCBQV-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3COC[C@@H]32)c1	2223628150	PHCRXMVFSGWEDS-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
Cc1cnc(N2CCN[C@H]3CC[C@H]32)cc1B(O)O	2223647138	TYZYJOVDHDEUHO-WDEREUQCSA-N	247.107	-0.990	50	10	BBGE	
Cc1cnc(N[C@@]23CC[C@H]2CNC3)cc1B(O)O	2223649654	BLNCKVYFBPFLAK-JOYOIKCWSA-N	247.107	-0.766	50	10	BBGE	
Cc1cnc(N[C@@H]2CCNC[C@@H]2C)cc1B(O)O	2223653784	UTTHCGABJOCZGH-GXSJLCMTSA-N	249.123	-0.520	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncn(C)n1	2223673836	HXGWIFUDSZGAPK-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
Cc1ccccc1CN=c1ncc(B(O)O)c[nH]1	2223678194	YPFHNLPWYVZBMY-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CCC2(CC2)C1	2224027496	XTRYJEVMVIEGEG-VIFPVBQESA-N	248.091	-0.497	50	10	BBGE	
COCCN(C)C(=O)c1cscc1B(O)O	2243346755	CAZBCJKKPRFJJQ-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
CC(C)(C)[C@H](O)CNC(=O)C1(B(O)O)CC1	2243358909	LWSYFUNGFVBEAV-SSDOTTSWSA-N	229.085	-0.483	50	10	BBGE	
Cc1nc2c(s1)CN(C(=O)C#CB(O)O)C2	2243362034	KZPIABVFEPXCTJ-UHFFFAOYSA-N	236.061	-0.691	50	10	BBGE	
O=C(NCC(F)(F)F)c1occc1B(O)O	2243363043	AIEGCCVPHZQPQK-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
C[C@@H](C1CNC1)N(C)C(=O)C1(B(O)O)CC1	2243363800	MPXYMSXYDJNTQA-ZETCQYMHSA-N	226.085	-0.940	50	10	BBGE	
CCN(CCN(C)C)C(=O)C1(B(O)O)CC1	2243365053	HHCSANJIDTYVQR-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C(=O)[C@@H]1C	2243365540	NZZWBVVRRBBEIL-NKWVEPMBSA-N	225.053	-0.366	50	10	BBGE	
CCC(N)(CC)CNC(=O)C1(B(O)O)CC1	2243365874	UFRHBWSIESDSMI-UHFFFAOYSA-N	228.101	-0.373	50	10	BBGE	
CCCONC(=O)c1sc(C)cc1B(O)O	2243382514	OVMWUJMBZFSSLF-UHFFFAOYSA-N	243.093	-0.192	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1O[C@H]2CC[C@H]1C2	2243383607	ZUXYTIGDYMEWFN-KZVJFYERSA-N	225.053	-0.066	50	10	BBGE	
CN(CC(C)(C)N)C(=O)[C@H]1C[C@H](B(O)O)C1	2243391412	KJLPRDMDFXWGJP-ZKCHVHJHSA-N	228.101	-0.565	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243396723	PWPFXYYPKATBGM-BQBZGAKWSA-N	223.041	-0.803	50	10	BBGE	
C=C(CS(=O)(=O)N(C1CC1)C1CC1)B(O)O	2243413006	XQSQAGPOXPNMMO-UHFFFAOYSA-N	245.109	-0.489	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)[C@H]1C[C@@H]1B(O)O	2243414834	IXTFZFJPBRZJSQ-CIUDSAMLSA-N	227.069	-0.465	50	10	BBGE	
C[C@H](CCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420378	RIGBZTORSBYNTH-IWSPIJDZSA-N	229.085	-0.483	50	10	BBGE	
CC(F)(F)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427059	POMOIMQHZDILJT-BQBZGAKWSA-N	233.023	-0.037	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CN(C)C	2243427159	RDXHYCUQRXHEQW-VGMNWLOBSA-N	228.101	-0.837	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2243758684	JUXKTWFYHYROMO-LYFYHCNISA-N	229.041	-0.781	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cocc1B(O)O	2244209730	BZJYNIXLQAJBNY-QMMMGPOBSA-N	221.021	-0.758	50	10	BBGE	
CC=CCCNC(=O)c1cocc1B(O)O	2244217303	PFAVTWPSSPMPIO-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CC(C)CCNC(=O)c1cocc1B(O)O	2244217886	TXZWHEYWOOXDNJ-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
COc1ccc(B(O)O)c(OC(CF)CF)n1	2247233978	WEBDQLZNYSXYFM-UHFFFAOYSA-N	247.006	-0.544	50	10	BBGE	
COCC(COC)NC(=O)C1(B(O)O)CCC1	2247734691	VVQIZUKMBLYPKU-UHFFFAOYSA-N	245.084	-0.839	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C#CB(O)O)C[C@H](O)C1	2247741336	YBZIOMLMHIUXTP-BDAKNGLRSA-N	239.080	-0.942	50	10	BBGE	
O=C(C#CB(O)O)N1Cc2ccccc2CN1	2247744275	QJLYAHIIWQAOMH-UHFFFAOYSA-N	230.032	-0.951	50	10	BBGE	
O=C(NCCC[C@@H]1CCCN1)[C@H]1C[C@@H]1B(O)O	2247791843	PECAAJMEBKTFRB-GUBZILKMSA-N	240.112	-0.502	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)C1CC(B(O)O)C1	2247796537	ANTVNPVGXKTJSV-XNWIYYODSA-N	243.112	-0.020	50	10	BBGE	
NC1(CNC(=O)C2CC(B(O)O)C2)CCCC1	2247809009	WZCUWGUBGLDARQ-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
CN(C)CC(C)(C)CN(C)C(=O)C#CB(O)O	2247846501	HMRLCWCEPWKFPK-UHFFFAOYSA-N	240.112	-0.952	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)ccc1C	2247855132	NTMZSTOPJZQITJ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccoc2B(O)O)C[C@@H]1C	2247869469	SCLAPDJAQHSPBV-OCAPTIKFSA-N	237.064	-0.313	50	10	BBGE	
CC[C@H](C)NC(=O)c1nc(C)ccc1B(O)O	2247870935	SMVFQHLCWGPHNI-ZETCQYMHSA-N	236.080	-0.402	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)C1(B(O)O)CCC1	2247877925	KKZSHHFODRWUIP-AYMMMOKOSA-N	239.080	-0.608	50	10	BBGE	
O=C(NCCc1ccno1)C1(B(O)O)CCC1	2247878223	IJFUKIPIRLKBAR-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)C1(B(O)O)CCC1	2247879652	WTGNCPMSOFXSPD-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
COC1CC(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247887887	SQHMUNPHFIDHIB-HORUIINNSA-N	241.096	-0.267	50	10	BBGE	
Cc1cc(C(=O)Nc2ncc[nH]2)oc1B(O)O	2247892373	ZKEHUFOSZKIGPQ-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H](CCO)C1	2247894376	GCDHDEQFQCNTSW-BBBLOLIVSA-N	241.096	-0.530	50	10	BBGE	
CCOC(=O)CCCNC(=O)[C@@H]1C[C@H]1B(O)O	2247894488	HDWKRQKINZOKAX-HTQZYQBOSA-N	243.068	-0.691	50	10	BBGE	
O=C(NCC[C@H]1CCNC1)[C@H]1C[C@H](B(O)O)C1	2247894847	LMQPACWUBJQENO-OPRDCNLKSA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H]1CO	2247899790	QBUCCNOHMVFMFR-XKNYDFJKSA-N	241.096	-0.531	50	10	BBGE	
CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248573338	CNFRQPKILSNZJD-XSSZXYGBSA-N	243.068	-0.391	50	10	BBGE	
CC(C)N(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248585337	JTZYQPMRZCOABB-SFYZADRCSA-N	243.068	-0.439	50	10	BBGE	
CC(C)C[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248588630	GFMYMTIANYPBGN-QMMMGPOBSA-N	241.052	-0.993	50	10	BBGE	
C=C1CCCN(C(=O)c2cc(B(O)O)co2)C1	2249416292	PKFYSHUBNQSCKV-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC=CCCC1	2249420947	APDWIYOUEJKIBP-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CN(CC[C@@H]1CCO1)c1cc(B(O)O)ccn1	2253176268	KHZYERDMMKMDSO-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(C2COC2)cc1	2255463924	OXYOHINHTOGPHT-UHFFFAOYSA-N	245.043	-0.246	50	10	BBGE	
C=C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)n[nH]1	2255548056	KGZLMWWMZXZSAI-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1nccc(C)c1B(O)O	2255580450	CSVKMDMBCIIIOY-IUCAKERBSA-N	248.091	-0.402	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(C)ccc1B(O)O	2255689217	HQESQJWNIYWZFS-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1cc(B(O)O)co1	2258122066	XMQWVOBLKKNLMK-JTQLQIEISA-N	249.075	-0.004	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)co1)C1CCC1	2258136255	JPHAYMLGVSHJGO-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
C#CC1(NC(=O)C#CB(O)O)CC2(CCCC2)C1	2259904535	MUGPZQSCMMYRJU-UHFFFAOYSA-N	245.087	-0.156	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166176	YGKXTGLHINSSMN-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN2CCC[C@@H]2C1	2298369226	NAGWLRAWFBYVCS-KXUCPTDWSA-N	238.096	-0.844	50	10	BBGE	
CN(C[C@H]1OCC[C@H]1F)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375720	XODRLKFXLUBCGR-BZNPZCIMSA-N	245.059	-0.565	50	10	BBGE	
O=C(N[C@H]1CC[C@@]12CCCO2)[C@@H]1C[C@H]1B(O)O	2298376384	UPSDQAITGDVIIC-REIXXSIJSA-N	239.080	-0.323	50	10	BBGE	
CC[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463507	HKUUCBONKMIKRB-XIVUIJJLSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300367235	DFFJZUWJZABJEO-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(CO)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300385665	XDXNHYWXBBGWCF-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC[C@@H](F)C1=O	2301877654	ROPKWRATHNDPLU-IWSPIJDZSA-N	243.282	-0.037	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C12CCC(CC1)O2	2303103880	HOBUNNMUYNYFDN-FKTRJACZSA-N	239.080	-0.227	50	10	BBGE	
O=C(C1CC2(COC2)C1)N1CC[C@H](B(O)O)C1	2303111034	FVQRISLTIBVTRQ-VIFPVBQESA-N	239.080	-0.512	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C#N)N2CC[C@H]1C2	2303227756	IPNRTQJEEMFGKJ-LPEHRKFASA-N	237.307	-0.963	50	10	BBGE	
CC[C@](C)(CN1CC[C@]2(O)C[C@@H]2C1)C(=O)NN	2303427339	XLWUTTIGULOKOI-JLLWLGSASA-N	241.335	-0.151	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1c1ccc(B(O)O)cn1	2314224530	JEGDJKZRYKFZFE-GHMZBOCLSA-N	248.091	-0.723	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1(CCO)CC1	2317163681	ZCDNNSIOYACCDI-UHFFFAOYSA-N	246.075	-0.435	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCNCC1	82469783	KUZMRJBAFIYEML-MRVPVSSYSA-N	200.286	-0.950	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(=O)N(CC)CC	110593615	QMUPYIYSQGIEGL-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(C(=O)CCCl)C2)N1	167881411	UEJZTKMUXCGUHO-VIFPVBQESA-N	245.666	-0.574	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H](N)CCC)B(O)O	170068271	XXFWXPTVDDISDU-DTWKUNHWSA-N	230.117	-0.199	50	10	BBGE	
COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)C	171379699	HCXFEMAERCWPCK-RQJHMYQMSA-N	242.275	-0.011	50	10	BBGE	
COCCOCc1cc(F)cc(B(O)O)c1	211645439	KYIYQJKJOPVMTF-UHFFFAOYSA-N	228.028	-0.332	50	10	BBGE	
COCCCS[C@@H](COC)C(=O)NN	232421626	MDYMLSZBLBTGGO-ZETCQYMHSA-N	222.310	-0.239	50	10	BBGE	
C[C@@]1(O)CCN(Cc2occc2C(=O)NN)C1	235464815	NWOQTAPJMMENGC-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
CCNC(=O)NN(C(=O)NCC)N(C)C	238242475	BUYDZFOAJRQILV-UHFFFAOYSA-N	217.273	-0.271	50	10	BBGE	
COC(=O)[C@@H](O)[C@H](Br)CO	238323881	REJWWCGHPGKPCK-DMTCNVIQSA-N	213.027	-0.724	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CC[C@@H]1O	253184510	JUMSWVITOFSVJV-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](CN1CCCCC[C@H]1CO)C(=O)NN	253185384	XBBRQHAWFPATRZ-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)[C@@H]1COCCO1	293485852	UDSLHQPXVHKQMY-YFKPBYRVSA-N	238.190	-0.796	50	10	BBGE	
CSc1ccc(B(O)O)c2nc[nH]c12	307202357	DSGQTFAKLPOZQI-UHFFFAOYSA-N	208.051	-0.035	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)C(C)(C)C1	308863069	KGWIMVHUSRSJKM-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CN(C)NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2	382180733	OFSDOLJGODLRGI-OOJXKGFFSA-N	228.248	-0.543	50	10	BBGE	
C[C@H](CN1CCC[C@H](O)[C@H]1C)C(=O)NN	384897994	MWWNWZFUQMDWPS-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)[C@H]1CCOC1	390512688	CAUYGFHSEBCCRC-APPZFPTMSA-N	229.280	-0.832	50	10	BBGE	
Nc1cc2ccc(B(O)O)c(C(=O)O)c2s1	396235950	CPQMUIVIDLYUOP-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2c(O)csc2c1	396377966	GPHZHLWRNQWJBK-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)C(O)[C@H](C)C1	688122342	PJDDPNCCWZFTLL-HLTSFMKQSA-N	229.324	-0.296	50	10	BBGE	
CN(C)CC(=O)Nc1cccc(B(O)O)c1F	690138632	PYMDUGUINQHHNV-UHFFFAOYSA-N	240.043	-0.994	50	10	BBGE	
N#CC1(O)CCN(c2cnc(CO)cn2)CC1	692068798	HYUNUIFQKJFIJL-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
C[C@H](CN(C)C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703471423	ZLSPJRGCIZDDTB-VGMNWLOBSA-N	226.276	-0.147	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)C(=O)NN)CC1	718281018	UDVAHVIMGDNQFV-YUMQZZPRSA-N	229.280	-0.560	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@@H](CCO)C1	720086224	GXYWJZQZPKQSCO-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
C[C@]1(CO)CCCN1CCCCC(=O)NN	723022036	KNOOOZWCSWKDJA-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
Cc1nc(Cl)cc(C(=O)NNC(N)=O)n1	723214894	AAMPNGAVYFREMH-UHFFFAOYSA-N	229.627	-0.248	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CCC(=O)NN)C2	723697801	SOCPQJLILCCCCN-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
C[C@@H]1N=C(CN)S[C]1C(=O)NN(C)C	725660421	CJDDTMBFQCEKEK-YFKPBYRVSA-N	215.302	-0.396	50	10	BBGE	
Cn1cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)nn1	844611554	KAOPXNIXYDLQQH-OPRDCNLKSA-N	249.274	-0.167	50	10	BBGE	
C#CCNC(=O)NNc1nnc(C)n1C	875009173	PJLNFHFQUBLSKR-UHFFFAOYSA-N	208.225	-0.617	50	10	BBGE	
CCNC(=O)NNC(=O)COC1CC1	900386327	RFMXLHRRLKPWQP-UHFFFAOYSA-N	201.226	-0.484	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	913014935	IHTJFCLAKZFEGX-HLGYYGQXSA-N	242.275	-0.362	50	10	BBGE	
CN(Cc1cscc1B(O)O)[C@H]1CCOC1	1231949718	QNOOWEXZYDKDFQ-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
O=S(=O)(CCCl)N1CC(F)(CO)C1	1253455709	CACVUEUIKIDJJT-UHFFFAOYSA-N	231.676	-0.429	50	10	BBGE	
N#Cc1csc(C=NNC(=O)CO)n1	1324206633	BSSZDZZCKDTKEM-UHFFFAOYSA-N	210.218	-0.543	50	10	BBGE	
O=C(CCF)NNC(=O)C1CCOCC1	1339913448	IZXPFLJGBKBAQG-UHFFFAOYSA-N	218.228	-0.080	50	10	BBGE	
CCc1n[nH]cc1C(=O)NNC(=O)c1cc[nH]n1	1453283579	HQPFNVPNURATEB-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCC1	1465062735	VBTPXFHSHYHNJQ-RQJHMYQMSA-N	225.248	-0.945	50	10	BBGE	
O=C1C[C@H](c2cc([N+](=O)[O-])n[nH]2)C(=O)O1	1535815299	PJEBOKPRGYXFNH-GSVOUGTGSA-N	211.133	-0.125	50	10	BBGE	
Cn1cnc(C(=O)NNc2cccnn2)n1	1566756938	KUYNRENCVRIWDB-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(C=O)cn1C	1597966121	MOGUZKJNGBGFIT-UHFFFAOYSA-N	238.247	-0.246	50	10	BBGE	
CN1C(=O)CC[C@H]1C(=O)NNc1ccn(C)n1	1638665771	NYZQLLNJCCXIFI-ZETCQYMHSA-N	237.263	-0.516	50	10	BBGE	
N#CC1(CC(=O)NNc2nc[nH]n2)CC1	1651058709	HCBYXGMYAITKFY-UHFFFAOYSA-N	206.209	-0.058	50	10	BBGE	
C#CCCCS(=O)(=O)NN(C)C(=O)OC	1669122250	SFQOKGCVGYAIMP-UHFFFAOYSA-N	234.277	-0.068	50	10	BBGE	
O=C1NOC[C@H]1NC(=O)[C@H]1C[C@H]1Br	1877360077	RLTPLIOCDCQRTG-VPENINKCSA-N	249.064	-0.684	50	10	BBGE	
NC(=O)CN[C@H]1C[C@@H](Br)C1	1880046290	WKEDMJMVKOLAAJ-SYDPRGILSA-N	207.071	-0.013	50	10	BBGE	
CNS(=O)(=O)NC[C@H]1C[C@H]1Br	1880434240	OBXFYMBYGYDHRO-RFZPGFLSSA-N	243.126	-0.176	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2Cl)CC(=O)O1	1883549566	BFEYGFJWKAYXPM-RITPCOANSA-N	203.625	-0.001	50	10	BBGE	
O=C1CO[C@@H]2CCN(CCCl)C[C@H]2N1	1886617524	ZNLNWULIMATTMP-HTQZYQBOSA-N	218.684	-0.186	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)NNC(N)=S	1886970152	PWZFNFZDGYNVFQ-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(O)CC1	1889128502	ACDAAUNHLFYLHW-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@H](C)C(=O)NN	1890042965	LYGBLZCSXLPVHS-SFYZADRCSA-N	203.286	-0.687	50	10	BBGE	
NNC(=O)CCO[C@@H]1COCC1(F)F	1893363930	GWXDGVOVHRUVGR-RXMQYKEDSA-N	210.180	-0.583	50	10	BBGE	
N[C@]12C[C@@H]1CN(C(=O)C=CC(=O)Cl)C2	1893410894	PGUHCDIBTHTVJT-MUWHJKNJSA-N	214.652	-0.132	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@@H](C(=O)O)[C@@H]2C1	1895257433	GVXBAXIEBFOJIC-XLPZGREQSA-N	227.264	-0.175	50	10	BBGE	
C[C@@H]1C[C@@]1(F)Cn1cccc(B(O)O)c1=O	1898069550	VZBIRSZDFCNREP-GMSGAONNSA-N	225.028	-0.724	50	10	BBGE	
C[C@@H]1CCC[C@]1(N)C(=O)NN(C)S(C)(=O)=O	1901378293	YTKCXGXYLQHJCT-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cnns2)C1	1902523003	VWLSUVCXEDTTFJ-QMMMGPOBSA-N	241.081	-0.383	50	10	BBGE	
CC[C@@](C)(CN1CC([C@H](C)O)C1)C(=O)NN	1902716794	XARVOHRAQJLLKC-KWQFWETISA-N	229.324	-0.295	50	10	BBGE	
CCc1nn(C[C@@H](C)C(=O)NN)c(=O)n1CC	1912243147	MNPMOIGLAVRILO-SSDOTTSWSA-N	241.295	-0.747	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(C1)CC2(F)F	1914535139	WKYQMBXAMLLXQE-RQJHMYQMSA-N	231.246	-0.047	50	10	BBGE	
OCCCN(CCCO)C[C@@H](O)CCl	1922163281	SMOIRUYHWUZKKX-VIFPVBQESA-N	225.716	-0.347	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1[C@H]2OCC[C@@H]21	1923406705	NGTPVVHFOWJCIU-WDCZJNDASA-N	238.165	-0.269	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(CO)C1	1929743835	VDGQHWNZNZQRNB-MRVPVSSYSA-N	215.297	-0.685	50	10	BBGE	
O=C(NNCCO)c1ccncc1Cl	1929835282	PXCYFRQPIWAFBL-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
NNC(=O)CN1CC([C@@H]2CC2(F)F)C1	1933057375	TYGGTDGCTCAZPE-LURJTMIESA-N	205.208	-0.437	50	10	BBGE	
CC[C@@H](OC[C@H]1COCCO1)C(=O)NN	1933321034	TYWPTFNWLICVOD-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
Cc1cnn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1	1936081944	NQGCFHXHFXHYCP-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
CON1CCC(N(C)[C@@H](C)C(=O)NN)CC1	1937135926	KBOUERREDUSFMR-QMMMGPOBSA-N	230.312	-0.678	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2CC[C@]2(C(=O)O)C1	1938370660	RQFUBRGXCCFRGA-XVKPBYJWSA-N	227.264	-0.031	50	10	BBGE	
CN(C[C@H]1CCC[C@H]1O)C[C@@H]1C[C@H]1C(=O)NN	1941083434	QRGATOAXNKDDRY-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(C)CCCN1C[C@H]1C[C@@H]1C(=O)NN	1941089252	UZWKBXMZHAFICJ-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
COC[C@@H]1CCCN(CCCC(=O)NN)C1=O	1945621220	WFTNKLWWZKQNBE-VIFPVBQESA-N	243.307	-0.359	50	10	BBGE	
CCn1nncc1CN(C)[C@H](C)CC(=O)NN	1950438470	GDDPCBRVGUYNOK-MRVPVSSYSA-N	240.311	-0.502	50	10	BBGE	
C[S@](=N)(=O)c1ccc(B(O)O)cc1C(=O)O	1953082636	AMLMUSVCYINTKS-INIZCTEOSA-N	243.049	-0.900	50	10	BBGE	
N[C@@H](C(=O)NCC(Cl)Cl)C1COC1	1954517289	RVWICTOPYJCYNQ-ZCFIWIBFSA-N	227.091	-0.120	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)CC(=O)NN)CO1	1955204796	RUAVOGDULLHNQV-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]([C@@]1(C)CC(=O)OC1=O)S(C)(=O)=O	1956806338	XIUWWBFDROWMOH-SVGQVSJJSA-N	220.246	-0.101	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H]1CCC(=O)NC1=O	1958794762	RXAXBBSGCXZYDY-RITPCOANSA-N	232.667	-0.075	50	10	BBGE	
Cc1cnc(O[C@H]2C[C@@H]2C)c(B(O)O)c1	1961686341	CFFOARJAUBAIDN-CBAPKCEASA-N	207.038	-0.143	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1961815208	LBFNSIGNJOWCRH-GRDBIXFFSA-N	209.293	-0.047	50	10	BBGE	
C#CCNC(=O)c1cc(B(O)O)ccc1Cl	1968427011	CODVZPBZZLXZDT-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
C[C@@H](N=[S@@](C)(=O)c1cnn(C)c1)C(=O)NN	1977066104	OHLCMIWUKJUGLG-KXHHVGMCSA-N	245.308	-0.745	50	10	BBGE	
CC(C)N(C[C@H]1CCOC1)C(=O)C(=O)NN	1980761211	GQASWVYKKXEJHN-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)C[C@H]1N(C)C	1980826011	OVVVWCCLHGUHIV-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
Cc1ncnc(N2CC(C)(F)C2)c1B(O)O	1981444966	AUOVDDXVISRBCY-UHFFFAOYSA-N	225.032	-0.987	50	10	BBGE	
C[C@@H]1COCCCN1c1nc(B(O)O)cs1	1981472010	MNPHGUGRZVLHCP-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
CN(C)CCOCc1cnsc1C(=O)NN	1982818248	FKFOQCADXDTTIP-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
C[C@@H](COCCC(F)(F)C(=O)NN)N(C)C	1984129001	XPAXPYHKHQOHLO-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	1985562546	WMSUILPTUZDUQM-QXEWZRGKSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H](C)COCc1cccc(B(O)O)c1	1986051268	YFQXPSKZRQKKGP-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1cccc(B(O)O)c1	1992837201	VRDDOXWUJUTZOF-RKDXNWHRSA-N	223.012	-0.793	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)C(=O)NN)CC12CCC2	1995104419	FYLSJKSEMDZYHK-RQJHMYQMSA-N	227.264	-0.950	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(F)(CO)CC1	1995936924	DLIGTBHRTBJAOO-VIFPVBQESA-N	247.314	-0.203	50	10	BBGE	
CCC1CC(C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998136403	AMGFKFARSPNEFY-RRQHEKLDSA-N	243.068	-0.535	50	10	BBGE	
CO[C@H](C)CCOc1cnc(C)c(B(O)O)c1	2001120466	MLLOTAINGOSBKU-MRVPVSSYSA-N	239.080	-0.126	50	10	BBGE	
COC[C@@]1(C)COCCN1C[C@H](C)C(=O)NN	2002849896	GGTLQPDUUAOONK-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2004912869	ZBBWHCBBTLKDIK-GDGBQDQQSA-N	232.092	-0.004	50	10	BBGE	
CO[C@@H](C)CN(C)c1ncc(B(O)O)cc1F	2005013970	DSOKSTXQFANVLJ-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)C[C@@H]1C	2005015475	AVVJSUCPVZSMLW-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006198810	MVHGBCUYRPJHKN-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CCn1ccc(O)cc1=O)C(=O)NN	2006463433	JCZKLPZMZJUMAY-UHFFFAOYSA-N	239.275	-0.040	50	10	BBGE	
COCc1nccn1-c1ncccc1B(O)O	2011260600	ISOJZPRCJBQHNQ-UHFFFAOYSA-N	233.036	-0.907	50	10	BBGE	
O=C1CN([C@H]2C[C@H](n3ccnn3)C2)CC(=O)O1	2012285559	YUIHDHRNSLYJTH-ZKCHVHJHSA-N	236.231	-0.633	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	2016209537	WYTYSMPHVAULBP-WYOJIJJFSA-N	245.298	-0.308	50	10	BBGE	
CC(F)(F)c1cc(CNC(=O)C(=O)NN)no1	2017679057	NVOPTSOYXOPULZ-UHFFFAOYSA-N	248.189	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2COCC[C@H]21	2019209770	KRLPYFGEDWRSJQ-NXEZZACHSA-N	241.291	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OCC[C@@H]1C	2019219488	NNJBEAGBZQXAKS-DTWKUNHWSA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC23CCOCC3)n1	2021307668	DBHKFURMWNMRQP-SECBINFHSA-N	236.080	-0.620	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2O[C@H]3C=C[C@H]2C3)O1	2021852172	QZZZVENMIJIFNL-AXTSPUMRSA-N	239.275	-0.532	50	10	BBGE	
C[C@H](CN1Cc2ncnc(O)c2C1)C(=O)NN	2025567476	IKLVEWDHXRXSIX-ZCFIWIBFSA-N	237.263	-0.876	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)CCNC1=O	2025820056	XFWUGYZMFOUISA-UHFFFAOYSA-N	242.279	-0.521	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(Cc1ccc(B(O)O)cc1)C2	2028064098	IAZGBQBMVUDZOH-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
Cc1cnc(N2[C@H]3CC[C@H]2COC3)c(B(O)O)c1	2052620669	WRIHFGDYZJZLIP-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
Cc1ncccc1Cn1cc(B(O)O)ccc1=O	2058156066	QXAAVWMFDFDAOP-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@@H]1C[C@@H]1C1CC1	2058156316	SQSGXZFTAFWEKM-ZYHUDNBSSA-N	247.103	-0.036	50	10	BBGE	
O=Cc1ccc(B(O)O)c(F)c1OC(F)F	2060261332	QYRBPZNNQKPGBZ-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2067369759	HCQKTQNHTDPMER-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
Cc1ncnc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c1B(O)O	2086991512	SSCABWAEQPZHGL-FNCVBFRFSA-N	246.075	-0.502	50	10	BBGE	
O=C(F)N1CC(CN2CCNCC2)C1	2209873285	QGHYVPNNQDBEOE-UHFFFAOYSA-N	201.245	-0.087	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CC[C@@H]1CO	2210399594	YIFUVXGPNWCGHP-BZNPZCIMSA-N	225.244	-0.326	50	10	BBGE	
OB(O)c1cscc1CN1[C@@H]2COC[C@H]1C2	2211135336	IGWRVYUGUNNIJA-DTORHVGOSA-N	239.105	-0.599	50	10	BBGE	
COC1CN(CC2(C(=O)NN)CCCC2)C1	2212444251	FYSRBUXQFJIIQI-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212600590	DONFPKKDFMCKAW-DIYOJNKTSA-N	218.065	-0.028	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@]1(C)COCCO1	2216071549	DBWXLCQTBZKIRM-ONGXEEELSA-N	246.307	-0.033	50	10	BBGE	
C[C@@H](CC1CNC1)Nc1cc(B(O)O)ccn1	2217172696	LSZDZTURUMHNHR-QMMMGPOBSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Nc1ncccc1B(O)O	2217178189	SHDZAYWMWBZJFR-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
NCC1(Nc2nccc(B(O)O)c2F)CCC1	2217178984	DIERFHKSTKDNHK-UHFFFAOYSA-N	239.059	-0.806	50	10	BBGE	
Cc1cnc(N[C@H]2CCN[C@H]2C)cc1B(O)O	2217182963	FATVUZLVEMGLBU-WPRPVWTQSA-N	235.096	-0.768	50	10	BBGE	
NC[C@@H]1CC[C@H](Oc2ccc(B(O)O)cn2)C1	2217191212	RJQJIHUKHGXWOG-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCCNCC2)c1	2217191944	FNPROGDEERIYAI-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
OCC[C@@H](Nc1ccc(B(O)O)cn1)C1CC1	2217195859	AOADOIRUYSZAHL-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
CC[C@](C)(COC)Nc1ncc(B(O)O)cn1	2217196516	GWDSZARQEUETQS-SNVBAGLBSA-N	239.084	-0.617	50	10	BBGE	
C[C@H]1CC[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2220715276	LLXWNXYAOOWHLX-JGVFFNPUSA-N	246.079	-0.448	50	10	BBGE	
N#Cc1cccn(CC2(C(=O)NN)CCC2)c1=O	2222632561	HIVNCSLOKIQMAG-UHFFFAOYSA-N	246.270	-0.120	50	10	BBGE	
OB(O)c1ccc(NC[C@]23C[C@H](CCO2)C3)nc1	2223651368	BUPXVBNIFUFUPD-WVSHTKLVSA-N	248.091	-0.258	50	10	BBGE	
Cc1cnc(N[C@H]2CCNC[C@H]2C)cc1B(O)O	2223653785	UTTHCGABJOCZGH-KOLCDFICSA-N	249.123	-0.520	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(c2ccc(B(O)O)cn2)C1	2223671412	LOLVUOLFJUKMJS-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3)nc1	2223671855	QOQUCHRTHCULNH-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
CN(C)CCN(CCN)C(=O)C=CC(=O)Cl	2243058494	CKWBXBUNRWLWGZ-UHFFFAOYSA-N	247.726	-0.343	50	10	BBGE	
CN(C)NC(=O)N[C@]12CO[C@](C(=O)O)(C1)C2	2243098702	VSVJRDKKEJRJTI-KYZUINATSA-N	229.236	-0.852	50	10	BBGE	
CC(C)(CO)CNC(=O)C1(B(O)O)CCC1	2243346613	BKGNFVVWKDXFSK-UHFFFAOYSA-N	229.085	-0.482	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)[C@@H](C)O1	2243362927	YMCGCEULPBRLBR-IWSPIJDZSA-N	225.053	-0.974	50	10	BBGE	
O=C(NC1CC(F)C1)c1csnc1B(O)O	2243377909	JEIGUQJNZRUOEU-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)cs1	2243385935	RFSFGAQIDBAIAV-XPUUQOCRSA-N	239.105	-0.092	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243392158	RUOCXJOUEYKTIK-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)C1(B(O)O)CC1	2243399328	YYCZSPWOHCNGMV-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1csc(B(O)O)c1	2243400427	ATDFTSNFEJIJIK-ZETCQYMHSA-N	237.089	-0.290	50	10	BBGE	
COc1cccc(NC(=O)C#CB(O)O)c1	2243400977	KLXYRZOHUQDEPQ-UHFFFAOYSA-N	219.005	-0.351	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243404878	VWHSZBPOTVJNQK-XKSSXDPKSA-N	227.069	-0.874	50	10	BBGE	
Cc1cc(C(=O)N(O)C(C)C)c(B(O)O)s1	2243414933	LBZYPIWPFFDVBQ-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
CC#CCN(C)C(=O)c1cc(B(O)O)cs1	2243419840	HTUUJWREWJAHKZ-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
Cc1ccc(O)c(NC(=O)C#CB(O)O)n1	2243752052	DZLGEJKHMHDRGO-UHFFFAOYSA-N	219.993	-0.950	50	10	BBGE	
Cc1ccc(F)c(C(=O)NCC=CB(O)O)n1	2246640592	ZPKUUIZTLHGMMF-UHFFFAOYSA-N	238.027	-0.173	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)o1	2247742101	KRCUNPIYACYYOU-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CC(C)C[C@@H](CN(C)C)NC(=O)C#CB(O)O	2247743461	DRPJUQHOOVLVEM-JTQLQIEISA-N	240.112	-0.906	50	10	BBGE	
CN(C)CC1(CNC(=O)C2(B(O)O)CC2)CC1	2247755920	RGTRBCJCBSINTM-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CC[C@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247758437	VHKNJKIQTUEAAJ-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247763668	MZDHMCAGMATBLC-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
COCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2247800078	KZRLXEHZDPOAIU-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
CCO[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247805377	BODQQQKAQWYBMX-IVZWLZJFSA-N	241.096	-0.219	50	10	BBGE	
CC(C)N(CCCO)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810704	ZJYNQLQHJSVWRN-MGCOHNPYSA-N	243.112	-0.141	50	10	BBGE	
O=C(C#CB(O)O)N1CCCc2ccncc21	2247849986	IHINJEMMLHYWCF-UHFFFAOYSA-N	230.032	-0.624	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C=CCC1	2247874396	LNCRTCUGRVLGPW-SECBINFHSA-N	234.064	-0.847	50	10	BBGE	
CC1(C)OC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)O1	2247894482	HCUKKQSTBUURBJ-BIIVOSGPSA-N	243.068	-0.883	50	10	BBGE	
CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895211	QBKVWLQCIJPGMA-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909232	GXYVBOHDEJFFQP-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
CC#CC(=O)N1CCc2sc(B(O)O)cc2C1	2248401742	NOCAWAAEPMKOQJ-UHFFFAOYSA-N	249.100	-0.664	50	10	BBGE	
O=C(NCCCC(F)F)c1cc(B(O)O)co1	2249411568	SFTXXJYDCKRQNO-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
Cc1cc(=NC(=O)c2ccoc2B(O)O)cc[nH]1	2255467609	POGXRGNVNJFPPQ-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2occc2B(O)O)C1	2255487157	KWTLGEXWQBUIQT-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cccc(F)c1B(O)O	2255499710	DGMKVECZINZBOR-QMMMGPOBSA-N	249.050	-0.046	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)c(F)c1	2255513844	YXHFJMJFLYBYKE-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2C=C[C@H]1C2	2255516177	IPIPZFLKEKWMIY-KWQFWETISA-N	244.059	-0.838	50	10	BBGE	
Cc1cnc(C(=O)N2CC(C)(C)C2)c(B(O)O)c1	2255556757	UVGGLATXKCFSHS-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
Cc1nnccc1NC(=O)c1cc(B(O)O)c[nH]1	2255681348	RRBVXJDPCHCABC-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C=CC1CC(NC(=O)c2cncc(B(O)O)c2)C1	2255685547	BTPVNDFMHXHGSI-UHFFFAOYSA-N	246.075	-0.544	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)c1occc1B(O)O	2255686073	LOUGAPMDQXEVSJ-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2CC[C@@H]2C1	2255717974	RZONSICSJRLSAU-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298370920	RRSCOKMUWQMSJS-DKIAZLNASA-N	238.096	-0.811	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)C1	2298376578	DURDDVUTZNRROW-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301478732	DGDIMSQIIYBMPC-FYLLDIAZSA-N	241.335	-0.010	50	10	BBGE	
O=C(CCN1CCCC1)N1CC[C@H](B(O)O)C1	2303114098	JBWBFVXWKYHOBY-JTQLQIEISA-N	240.112	-0.452	50	10	BBGE	
CC[C@@H](C)NC(=O)CN1CC[C@@](C)(B(O)O)C1	2303134201	OLPIEPUEZVREGA-MWLCHTKSSA-N	242.128	-0.160	50	10	BBGE	
C#CC#CCNC(=O)c1csc(C)c1B(O)O	2303622616	NCCJDEKSBOYONY-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303848354	YCBIWXZPNUBPNP-RCOVLWMOSA-N	242.059	-0.528	50	10	BBGE	
CN[C@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)C1	2303857050	AWUKNQPUFUYVQX-LJGSYFOKSA-N	240.043	-0.970	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1ncccc1B(O)O	2312612266	LSWLZDQMWVTSTB-MPKXCIJOSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C[C@H]2[C@H]2C[C@@H]32)nc1	2312612466	ZIGXSSXQJZUDIB-BOWXYFCWSA-N	245.091	-0.387	50	10	BBGE	
N[C@H]1C[C@H](COc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312614230	BLZKELBSXXKUSQ-PXIYARARSA-N	248.091	-0.877	50	10	BBGE	
N[C@H]1CC[C@@H]2C[C@]12COc1cc(B(O)O)ccn1	2312614250	CTPCRXCUPNOZTG-UBHAPETDSA-N	248.091	-0.732	50	10	BBGE	
C=C(CCN)COc1ccc(B(O)O)cc1C#N	2317161118	BBSZPXQYMWKUBE-UHFFFAOYSA-N	246.075	-0.478	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CCCOC1	2317208529	ZBSZWFFZHZSHKP-LLVKDONJSA-N	247.059	-0.204	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)CC(C)(C)O1	41684458	KXWWWTNINUAUIJ-LURJTMIESA-N	215.253	-0.998	50	10	BBGE	
CCCNC(=O)[C@H](C)NC(=O)NC(=O)CCl	49230993	JXEOHHNIZJYTRQ-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
NNC(=O)c1nc(Cn2cccn2)cs1	82468437	LRHNUAQGDTXMTC-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
CCCN(C1CCNCC1)[C@H](C)C(=O)NN	84689453	SQAOVBZJBPIAKF-SECBINFHSA-N	228.340	-0.171	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)CCl	85088517	CGJCLRDIAQBSAV-UHFFFAOYSA-N	218.640	-0.511	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCC(N)CC1	91847727	QKCGHZJUVBFFPX-UHFFFAOYSA-N	242.323	-0.645	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CC[C@@H](Cl)C1	168625007	SRHJCDJJHPRPKJ-RXMQYKEDSA-N	242.684	-0.100	50	10	BBGE	
N[C@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1B(O)O	201807353	MDMCBELABOQWEC-LPEHRKFASA-N	240.112	-0.493	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H](CO)O1	230058280	IUSUOKZRSUUNSM-ZYUZMQFOSA-N	245.323	-0.918	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCN(C(C)C)CC1	232419233	NVXKYJPZUXIXRD-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
O=S(=O)(CBr)NC1COC1	232467350	DACYXNRGZDUVOX-UHFFFAOYSA-N	230.083	-0.343	50	10	BBGE	
COc1c(B(O)O)cncc1C(F)(F)F	238437125	KUWDUPLUJBMMEX-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
NNC(=O)Nc1nc2ccccc2[nH]c1=O	238662501	OZGNOAZSUMRTON-UHFFFAOYSA-N	219.204	-0.082	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)[C@H](C)COC	251062481	COOVZTCWPMSKLP-VHSXEESVSA-N	247.339	-0.404	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)O[C@H](C)C1	299954304	AXOUIBJDESYCII-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)C1	306688219	MOBZTRJWBYSEIG-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
OB(O)c1cc2ccsc2c(O)c1O	307201820	DDHSZKGKEFDUCQ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
NC(=O)C[C@@H](NC(=O)CCl)C1CC1	308200517	XVOWMGHPVXVWFJ-ZCFIWIBFSA-N	204.657	-0.005	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@]12CCOC2	310508223	LAEOSFKKJCQOEV-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCCl)o2)C[C@@H]1O	316518363	OCIBDWMIIWDVCG-RQJHMYQMSA-N	247.682	-0.360	50	10	BBGE	
Cl[C@H]1COC[C@@H]1Nc1ccc2nnnn2n1	323157198	HLXMFJOJSXFXGL-WDSKDSINSA-N	240.654	-0.063	50	10	BBGE	
Cc1cnn(CCC(C)(C)C(=O)NN)c(=O)c1	395610457	IPIOLYGTOCETBN-UHFFFAOYSA-N	238.291	-0.042	50	10	BBGE	
Nc1cc2sc(B(O)O)cc2cc1CO	396252805	QOPAUANUXXQGGJ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1CCOC1	398855285	UCPVXNQOLKPJIS-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CN(CCCCCC(=O)NN)CC[S@](C)=O	399946410	WYYBUNGDEZGOHH-INIZCTEOSA-N	249.380	-0.153	50	10	BBGE	
CSC[C@@H]1CCCN1CC(=O)NN	400341247	NNZGZURSWUXXNF-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)OC	495326370	KCIZQZZXCQKWPK-UHFFFAOYSA-N	220.225	-0.573	50	10	BBGE	
O=C(CCl)NC[C@H]1CNC[C@H](O)C1	642885782	UQPRRAYHDZCDFD-RNFRBKRXSA-N	206.673	-0.688	50	10	BBGE	
O=C(CCl)N1CC(NC2COC2)C1	685948067	XOGXCVWEJYWUDB-UHFFFAOYSA-N	204.657	-0.576	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@H]1OCC2	687485493	NLALCZKVGDHKJU-XCBNKYQSSA-N	227.264	-0.948	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CCO)C1CC1	695087301	MQCUXCIYIQMZJI-JTQLQIEISA-N	229.324	-0.152	50	10	BBGE	
Cn1nnnc1Cn1cc(CCCl)nn1	697808257	QRVYNXPNTFRIDX-UHFFFAOYSA-N	227.659	-0.369	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1CCOC1	703411183	FCNQQCDMTXHCNV-XLPZGREQSA-N	211.217	-0.308	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)C(=O)NN)C1	706528841	ZPMGFVDDLGUPBK-ZETCQYMHSA-N	215.253	-0.998	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1Cl)c1cnn[nH]1	706689112	WONBERVSAYFHLO-RITPCOANSA-N	230.655	-0.069	50	10	BBGE	
CCC[C@H]1CN([C@H](COC)C(=O)NN)CCO1	708948835	ZWBZLVKUQCLXII-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CNC(=O)NC[C]1SC=C[C@@H]1B(O)O	725658801	YEYGAYDKAAGMTH-YFKPBYRVSA-N	215.063	-0.449	50	10	BBGE	
CCOC(=O)C1=CC[C@@H](NC(=O)NN)C1	861678958	MVGJGKYSRPLIRA-SSDOTTSWSA-N	213.237	-0.189	50	10	BBGE	
Cc1cc(=NNC(=O)[C@H]2CN(C)C(=O)N2)cc[nH]1	862515574	WNLAAODFASOBOR-SECBINFHSA-N	249.274	-0.721	50	10	BBGE	
O=C(CCF)NNC(=O)c1ncccn1	910914731	NSYWDIONWJSKBM-UHFFFAOYSA-N	212.184	-0.403	50	10	BBGE	
C[C@H](CO)S(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883552595	NHYYKDOQPQPZAM-QYNIQEEDSA-N	227.713	-0.086	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1cnc[nH]1	1884825298	MXMQGVIYRHVAEA-UHFFFAOYSA-N	233.680	-0.070	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCC(CO)CO	1886269007	YAZAVSCMPBYJPQ-ZETCQYMHSA-N	223.700	-0.032	50	10	BBGE	
C[C@H](Cl)C(=O)NCCS(=O)(=O)CCO	1886689357	QOSGMNBRHBUUPW-LURJTMIESA-N	243.712	-0.863	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1CCCOC1	1888042418	GLEVZAXEMQZUFP-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@H]1[C@@H](O)[C@H](O)C2	1888323697	FKPRSSMHZXVWCN-XZMZPDFPSA-N	219.668	-0.290	50	10	BBGE	
NC1CC(O)(C(=O)NC[C@@H]2C[C@@H]2Cl)C1	1893109267	YAEWAACDLBCETB-MACCYVAKSA-N	218.684	-0.418	50	10	BBGE	
O=C(O)C1(CO)CN(C[C@H]2C[C@@H]2Cl)C1	1893117344	AAIBEXQZHZNIKI-RQJHMYQMSA-N	219.668	-0.007	50	10	BBGE	
CC[C@@H](C#N)C(=O)NN(C)S(=O)(=O)C1CC1	1901342648	ORSMIJKPVZWZFN-ZETCQYMHSA-N	245.304	-0.009	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@H](C)CCCC(=O)NN	1901766639	YNEOYZQKHXSQOE-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)CSCC#N)C1	1902521277	GDPRYUZRXRIQFA-VIFPVBQESA-N	242.109	-0.291	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)[C@H](F)C1)C(=O)NN	1902707735	DQFSMIHDPQOVOQ-NQMVMOMDSA-N	233.287	-0.593	50	10	BBGE	
CC[C@](C)(CN1C(=O)CCC1=O)C(=O)NN	1902721359	YUSQIESUIKPNJJ-SNVBAGLBSA-N	227.264	-0.458	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@H]1[C@@H](O)C2	1904369201	CQAYCXSCVMKDEF-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
C[C@@]1(C(=O)Nc2ncccc2B(O)O)C[C@@H]1F	1913596977	ZHMUUZLAGMRENX-OIBJUYFYSA-N	238.027	-0.552	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CN(C(N)=O)C1	1917791329	IYCFQAWEBLXHJD-BYPYZUCNSA-N	205.645	-0.507	50	10	BBGE	
CC12CC(CN1CCOCC(=O)NN)C2	1929075319	AQXSBLYWUWNFGE-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
O=C1CN(Cc2nncs2)CC(=O)O1	1930996684	YZOYBCDLSCGJJB-UHFFFAOYSA-N	213.218	-0.577	50	10	BBGE	
C[C@]1(CO)CCN1CCCCC(=O)NN	1932966991	IMWZRYBFFCZOCM-SNVBAGLBSA-N	215.297	-0.397	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CCC[C@H]1O	1935929419	ONRXEGXUTZTVSO-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)[C@H](C)CO1	1935943388	CSMCQSUKMPNYLU-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CSC[C@H]2C1	1936092526	UUKQPYYYVUAIGF-AXTSPUMRSA-N	241.360	-0.093	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCSC[C@@H]1CO	1936093608	FZZBGONGUVQPOD-HRDYMLBCSA-N	245.348	-0.978	50	10	BBGE	
CON(C)C1CN([C@@H](C)CCC(=O)NN)C1	1936112288	XFEVRXGFGHWRNS-QMMMGPOBSA-N	230.312	-0.678	50	10	BBGE	
CO[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1F	1937158717	ZLOQIZSVEGGQEV-PHDIDXHHSA-N	241.213	-0.720	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCC[C@@H]1O	1941094931	PXNYNAYTNZRCJY-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)COCCN1CC([C@@H]2CC2(F)F)C1	1948094999	MPEVTNKIFNCQCD-QMMMGPOBSA-N	249.261	-0.420	50	10	BBGE	
CC[C@H](Cl)C(=O)N(CCO)CCO	1954508413	WNDHHSVDGDOQQN-ZETCQYMHSA-N	209.673	-0.183	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=S)c(C)o1	1955520010	MBXHOFKHXSFFOR-UHFFFAOYSA-N	214.250	-0.231	50	10	BBGE	
C[C@@H](OC[C@@H]1CCCOC1)C(=O)NN	1956965896	ZXQVFJDEMBTAHD-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
COc1ncc(B(O)O)c2ccsc12	1956968634	KFSKLEGVFVYUCV-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1=O	1958793405	LMGVDMNEBKICCA-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
CN(c1ncncc1B(O)O)C(C)(C)C	1961682176	XSTVPCIVWOCSTK-UHFFFAOYSA-N	209.058	-0.609	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cnnn1C	1974772259	ILAKUHLPQLDUHA-LURJTMIESA-N	248.695	-0.666	50	10	BBGE	
CC(C)c1ncc(CNC(=O)C(=O)NN)o1	1976782262	FEANVUPRWPWASA-UHFFFAOYSA-N	226.236	-0.596	50	10	BBGE	
OB(O)c1cncc(O[C@H]2C[C@@H]3C[C@@H]3C2)c1	1978375730	TXFGIFQQFZUWCQ-DIYOJNKTSA-N	219.049	-0.061	50	10	BBGE	
CC[C@H](N=[S@](C)(=O)N1CCCC1)C(=O)NN	1979784071	FOTPXACJCMUTBW-PWJLMRLQSA-N	248.352	-0.137	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1ccncc1B(O)O	1981408631	CMLWGMIVAIEDHM-HTQZYQBOSA-N	224.044	-0.302	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@H](CO)C[C@H]2C1	1982122355	VOADZVQQZLCYOS-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccc(=O)cc1	1984128756	UEVKLUWJAJUYIN-UHFFFAOYSA-N	231.202	-0.136	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985464187	JMJQUERGZSHYRC-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CN2CCC2=O)O1	1990164685	RENDSEITLPWKAN-JGVFFNPUSA-N	227.264	-0.854	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(CNC(=O)C2)C1	1991652394	MWWYBZYPKKFGCA-UHFFFAOYSA-N	242.662	-0.344	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1991679680	LYOSXMKJOLEUKZ-WBBBMGQGSA-N	245.706	-0.186	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COC[C@H]21	1992337514	ITAVVBBKQSEPOC-NKWVEPMBSA-N	235.234	-0.668	50	10	BBGE	
Cn1cc(C(=O)N[C@H](CCCl)C(=O)O)nn1	1994355466	FJKDJURSMYKWBQ-RXMQYKEDSA-N	246.654	-0.373	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@@H]1CO	1994832969	LNSYXECARSXDIQ-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCO[C@@H](CO)C1(C)C	1997289093	GIJGSYCDNPYHDO-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(CO)CCNC2)CC1	1997459519	TWUGMGKASJQSOE-LBPRGKRZSA-N	235.287	-0.359	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1[C@H]2CC[C@H]21	1997530719	UGXZNGHLUJYVGZ-MBTKJCJQSA-N	232.048	-0.644	50	10	BBGE	
O=C(NC1CCCC1)N[C@@H](CB(O)O)C(=O)O	1998129858	CBOLCPRTJSEVRE-ZETCQYMHSA-N	244.056	-0.846	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H](OC)C1	2001044741	BROMEHFITUZBGC-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CN1CCC(N2CCCC2=O)CC1	2004405265	ASVGOFXWTVNKRS-UHFFFAOYSA-N	240.307	-0.937	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ncc(B(O)O)cn1)C2	2004916328	KLDJGAIDIDZOTF-KCJUWKMLSA-N	233.080	-0.607	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)C[C@H]1F	2004919074	UFZNTRJMSULSLS-IONNQARKSA-N	239.059	-0.659	50	10	BBGE	
CCN(CC(F)F)c1ncnc(C)c1B(O)O	2004975950	GRSWBNHWVKTUPX-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@@H]3C2)ccc1B(O)O	2005016398	ORNZKWLDWDDBDK-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ncc(B(O)O)cc1F)C2	2005017205	BDTIFJQZVRXCCT-RDDDGLTNSA-N	236.055	-0.253	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@H]32)c(F)c1	2005017394	DSMJPXALUFXQDF-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCN(C)C(=O)C1	2014834408	PPVMGZFCZHJPLA-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
C=CC1(O)CCN([C@H](COC)C(=O)NN)CC1	2018870426	AERCBSOBROXWHF-SECBINFHSA-N	243.307	-0.996	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCN(C)C1	2019207978	GKJZZRKELLMBPP-JTQLQIEISA-N	242.323	-0.963	50	10	BBGE	
CC1(COc2ccc(F)cc2B(O)O)COC1	2021347025	ZUNIOPYNXPKWNL-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1cccc1C#N	2050244590	ZKIHPJNYZYVTSR-UHFFFAOYSA-N	244.258	-0.255	50	10	BBGE	
N#Cc1c(B(O)O)ccc(F)c1OC(F)F	2060260949	IJJLUQHJUOARFW-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070852228	QLRFUWVZFWSLNS-OQQJQLSSSA-N	244.103	-0.148	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1ccc(B(O)O)cc1	2079008010	CRQFUXHNGLCGNS-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
COC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1	2079010201	XVBPAWWBRZUYJK-MWLCHTKSSA-N	249.075	-0.869	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCc1cnn(C)c1	2213539392	RIZVXNPYUAJFGZ-JTQLQIEISA-N	239.323	-0.337	50	10	BBGE	
NNC(=O)C1(Cn2nc(O)ccc2=O)CCC1	2216494253	WCOQSGLWFMURQX-UHFFFAOYSA-N	238.247	-0.891	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)[C@H]2C[C@H]21	2216533855	HKMQTRABZZYQCU-ZJUUUORDSA-N	238.335	-0.465	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@@H]32)CCCC1	2216881844	QBTJYWARXDPZFP-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
C=C(C)CN(c1ncc(B(O)O)cn1)C(C)C	2217173739	UEZRGCUWVVTBCA-UHFFFAOYSA-N	235.096	-0.053	50	10	BBGE	
CCOCC(C)(C)Nc1ccc(B(O)O)cn1	2217176576	YDMAFSMEEZDWLL-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217180261	GGHJNWAGHVHFRC-IUCAKERBSA-N	238.096	-0.095	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncc[nH]1	2217199297	BNQIMUCMPBZSLN-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCC[C@H]1O	2217200749	LOIQZBHBKGQYHF-VHSXEESVSA-N	236.080	-0.889	50	10	BBGE	
OCC[C@@H]1CCCN1c1cc(B(O)O)ccn1	2217205374	XZTOOHKRTKWBBI-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)C[C@@H]1O	2220060667	YOTUWGLRWOJZSI-GWCFXTLKSA-N	249.119	-0.431	50	10	BBGE	
Cc1cnc(O[C@@H]2CNCC23CC3)cc1B(O)O	2223631682	ZKXZZZJMHDDMLA-SNVBAGLBSA-N	248.091	-0.799	50	10	BBGE	
O=C(NCc1ccccc1)c1coc(B(O)O)c1	2241471290	ICXBVRXJEDTPCL-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
O=C(C#CB(O)O)Nc1cnn(C2CC2)c1	2243349842	REYXKZPFQGMLEJ-UHFFFAOYSA-N	219.009	-0.828	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)oc1C	2243349958	SXQMURDFPJLHHC-UHFFFAOYSA-N	223.037	-0.426	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1csc(B(O)O)c1	2243361778	HDOUOMOZGZEZBI-BQBZGAKWSA-N	237.089	-0.434	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C(C)(C)CO	2243363648	KCTHLIMQNSDCQR-SSDOTTSWSA-N	229.085	-0.483	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)sn1	2243378801	ZOBPOSBKTYWEHS-YFKPBYRVSA-N	246.072	-0.699	50	10	BBGE	
NCC1CC(NC(=O)C2CC(B(O)O)C2)C1	2243396353	LCOQZTVFWQFEDB-UHFFFAOYSA-N	226.085	-0.907	50	10	BBGE	
O=C(NOCC1CC1)c1cc(B(O)O)cs1	2243398503	QITFNFUWFDZYGM-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
NCC[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243411147	OSEUGOSGUPPTMB-QMMMGPOBSA-N	226.085	-0.809	50	10	BBGE	
CC(C)CCNC(=O)c1occc1B(O)O	2243411701	YSPWRMKTQLZJMB-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
C=C(CS(=O)(=O)Nc1c[nH]nc1C)B(O)O	2243412804	TZOYWBISXMUPSJ-UHFFFAOYSA-N	245.069	-0.972	50	10	BBGE	
C[C@@H](CCN)N(C)C(=O)C1CC(B(O)O)C1	2243418033	ZIDVOSDHNPLMEC-UEJVZZJDSA-N	228.101	-0.565	50	10	BBGE	
C[C@H]1CN(C(=O)c2cocc2B(O)O)[C@H]1C	2244215849	GVBSEMKMKHLXQF-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
COCC1(C)CC(N(C)C(=O)C(=O)NN)C1	2245401163	PZCMGQXCTIDXKB-UHFFFAOYSA-N	229.280	-0.750	50	10	BBGE	
C[C@H]1[C@H](C)C[C@H]1NC(=O)c1ccoc1B(O)O	2247744264	QDQBUFSLTORFHU-BKPPORCPSA-N	237.064	-0.266	50	10	BBGE	
NCc1cccnc1NC(=O)C1(B(O)O)CC1	2247754749	FKORXAAKYZCTBZ-UHFFFAOYSA-N	235.052	-0.514	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@H](O)[C@H]2C1)C1(B(O)O)CC1	2247755593	KLLPHPGEBRXMEW-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1CCC1	2247760555	JYTLVTYRCSLPKK-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CC(C)(NC(=O)c1cc(B(O)O)n[nH]1)C1CC1	2247784353	SYTUYHUALFSYPL-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787909	WISAZHHBIFHPCQ-KXUCPTDWSA-N	242.128	-0.271	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247788025	YDBVABIUSZPTDI-DTORHVGOSA-N	241.096	-0.530	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)CO1	2247804909	IRXMHOXVYIZHBU-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCC1(C)C	2247874974	READSNDRFKUINY-UHFFFAOYSA-N	236.080	-0.671	50	10	BBGE	
CC[C@@H]1COC[C@H]1NC(=O)C1CC(B(O)O)C1	2247892972	KKIZUBNACROJSD-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCOC1	2247894987	MWTKXECAIYLQIT-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247897029	NFRJFOBNNXPYDN-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CC1([C@H](CO)NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247909299	HSGOTSATKUBWPI-YIZRAAEISA-N	241.096	-0.483	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2248588168	ZOXRUYSQNIHLST-TXXZRHAASA-N	241.052	-0.925	50	10	BBGE	
Cc1cc(C(=O)NCC=C(F)F)oc1B(O)O	2248604238	ZJRHUXDTMRIXTN-UHFFFAOYSA-N	244.990	-0.222	50	10	BBGE	
Cc1nc(N(C)CC2COC2)ccc1B(O)O	2249034362	AFARMCFSKKPQMR-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2249574652	GSCMCKICUWQOAP-RBXMUDONSA-N	239.080	-0.921	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1COC2(COC2)C1	2249637542	UXZJSNFUPPZBMP-BDAKNGLRSA-N	243.307	-0.755	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CCC[C@@H]2C[C@@H]21	2250000694	MCBKVPKPDRSIOG-MXWKQRLJSA-N	235.092	-0.056	50	10	BBGE	
CC(C)C1(NC(=O)c2ccncc2B(O)O)CC1	2255443420	AERIXXHHAWZLEI-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1cocc1CNC(=O)c1cc(B(O)O)c[nH]1	2255468199	XIWAPEKVQIXSAI-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C(C)C	2255516021	FXEGDMKCLFFRPD-SNVBAGLBSA-N	246.075	-0.851	50	10	BBGE	
O=C(NC[C@H]1C=CCCC1)c1cc(B(O)O)c[nH]1	2255670147	WGAODCOVDTUXSQ-VIFPVBQESA-N	248.091	-0.219	50	10	BBGE	
N#Cc1cccc2c1CN(C(=O)C#CB(O)O)C2	2255676481	QZEULBFCKSJZIR-UHFFFAOYSA-N	240.027	-0.584	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ncccc1B(O)O	2255709951	DMRNHVXNDHLEBP-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)cn1	2255719062	CVIRUFUSNSQTBA-MBTKJCJQSA-N	246.075	-0.710	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccncc1B(O)O	2255728520	HIHUHFXCQLAGRL-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC[C@H]3C[C@H]32)c1	2255736110	GUBDWYJHXGSPAK-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
Cc1ccnc(C(=O)NC2(C)CCC2)c1B(O)O	2255785777	NNINNCBUJXZRBQ-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C#C[C@@H](C)CNC(=O)Nc1ccccc1B(O)O	2255910085	PCEQIHLLANLOHT-SECBINFHSA-N	246.075	-0.243	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cc1O)C1CC1	2255955648	RBZFAPUGERWPJP-SSDOTTSWSA-N	249.075	-0.400	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2258125628	AKNAHMWEROMNGL-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(F)F	2298369717	CCVAYMKJKCJORR-VQVTYTSYSA-N	248.038	-0.956	50	10	BBGE	
CC1(C)NCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376305	QUUVYOUMEOACQC-YIZRAAEISA-N	240.112	-0.646	50	10	BBGE	
COC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376396	UXZXVNUXEPGKJB-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)C(=O)[C@@H]1C[C@@H]1B(O)O	2298377131	GAMURDBJRKJEMF-VFCFLDTKSA-N	239.080	-0.657	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298463107	PVKAOUPFISJKPK-LXGUWJNJSA-N	241.052	-0.924	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)[C@H]1C[C@@H](O)C1	2300391669	XFFXDXQALNKUED-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CC[C@@](C)(CN(CC(N)=O)C(C)C)C(=O)NN	2303424047	MPXAXYNRWMOSGJ-NSHDSACASA-N	244.339	-0.412	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1C[C@@H]1CN	2317161431	LYLSVWORALQPGD-SCZZXKLOSA-N	246.075	-0.788	50	10	BBGE	
O=Cc1ccc(NCc2ncon2)cc1B(O)O	2317352188	VGQZIWLWSCNRFN-UHFFFAOYSA-N	247.019	-0.826	50	10	BBGE	
O=c1[nH]c(=O)n(C[C@@H](O)CCl)cc1F	1091775	KZXKYMPJEHOXBE-BYPYZUCNSA-N	222.603	-0.725	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCCn1ccnc1	58852983	OBDJBHLUGVXYCT-VIFPVBQESA-N	225.296	-0.369	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](CO)C1	82465836	ZLHZXTHFCXSZQP-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CC[C@H](Sc1nnnn1C)C(=O)NN	82471821	YULHFVNSKKNYSR-BYPYZUCNSA-N	216.270	-0.929	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)CC1	86313295	VMWQONBHGQILQA-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
C[C@H](Sc1n[nH]c(N)n1)[C@H](C)C(=O)NN	86314056	IHRQWWMVTAJEIZ-IMJSIDKUSA-N	230.297	-0.507	50	10	BBGE	
O[C@H]1[C@H](O)[C@@H](Cl)[C@@H](CCl)O[C@H]1O	97974438	ZIBMGOYQTGGDCE-FDROIEKHSA-N	217.048	-0.728	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N=C=O)C[C@@H](C)O1	157732327	JNEITNMWTUELAL-KNVOCYPGSA-N	220.250	-0.324	50	10	BBGE	
CC(C)N1Cc2cc(B(O)O)c(F)cc2C1=O	217899669	MCXQDURSGVZLBV-UHFFFAOYSA-N	237.039	-0.130	50	10	BBGE	
O[C@@H](CCl)CN1CC[C@H](N2CCOCC2)C1	227954593	RQHBBHKGFGFSTJ-QWRGUYRKSA-N	248.754	-0.007	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@H](C)N1C	228858195	QTSWENMGJSORIN-UTLUCORTSA-N	228.340	-0.221	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCN(C)C(=O)C1	229088405	BRRWFMVQFTVDBZ-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CC1(C)O[C@@H]2[C@@H]([C@@H](O)Cl)OC(=O)[C@@H]2O1	231546501	BMFFBRCBPHEFNE-JGWLITMVSA-N	222.624	-0.011	50	10	BBGE	
Cc1nc(CCN2CC(=O)OC(=O)C2)no1	231912019	OOVWJUCRBHIEIA-UHFFFAOYSA-N	225.204	-0.694	50	10	BBGE	
CCN(CC(=O)NN)[C@H](C)CN(C)C	232268005	SYGVCPOAOCQJTN-MRVPVSSYSA-N	202.302	-0.752	50	10	BBGE	
O=C(NCCBr)c1ccc(=O)[nH]n1	232487823	VXGPQAWWTREFCN-UHFFFAOYSA-N	246.064	-0.105	50	10	BBGE	
CCS[C@H]1CC[C@@H](NC(=O)C(=O)NN)C1	233868708	VKLNUNSOVVPVHG-RQJHMYQMSA-N	231.321	-0.233	50	10	BBGE	
CCCC(=O)NNc1cc(=O)[nH]c(=O)[nH]1	238234112	PISPBBQWZARAQM-UHFFFAOYSA-N	212.209	-0.694	50	10	BBGE	
CC[C@H]1COCCN1C[C@H](C)C(=O)NN	251640563	FYCWUVMWZQCOGJ-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H](C)C1	252609962	UIRCPNUPLOWHBH-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CCNC(=O)N(C)NC(=O)Cc1ccnn1C	278474469	UKZUGDSSQPENFU-UHFFFAOYSA-N	239.279	-0.345	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cc(F)c[nH]1	294848465	IOCAOUNMCYOAIX-UHFFFAOYSA-N	229.211	-0.314	50	10	BBGE	
CCN(CCOCCO)[C@H](C)CC(=O)NN	304251853	REWFUPGKBLVYKK-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
Cc1nc(N)c(C(=O)NN)nc1Br	306262850	MJVCZBIIDYJYGG-UHFFFAOYSA-N	246.068	-0.267	50	10	BBGE	
Cn1cc([C@](O)(CCl)C(=O)O)cn1	306357739	WHTODMXMBJRJGG-SSDOTTSWSA-N	204.613	-0.069	50	10	BBGE	
CCC[C@@](C)(O)/C(CO)=N/NC(N)=O	308332731	GTTUDVPHPUFRPU-VSBFRKNKSA-N	203.242	-0.446	50	10	BBGE	
COCCOCOc1cc(F)cc(B(O)O)c1	379765565	IHSVORHKCRLMOJ-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C)(O)C1	384190368	ZCPXYVLPQQMRQC-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H]2CO)n1	386923944	DXIFYVBHQCLIJY-SSDOTTSWSA-N	240.263	-0.765	50	10	BBGE	
NNC(=O)c1coc(CSC2COC2)n1	386972378	LUNPMMGCVMJIGU-UHFFFAOYSA-N	229.261	-0.090	50	10	BBGE	
CCOC1(CNC(=O)C(=O)NN)CCCC1	393928299	IRFSFOIZQRGANH-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
O=C(O)CCc1cc(C(=O)O)ccc1B(O)O	396131640	FDKOJVRCDWJDPM-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
Nc1ccc2scc(B(O)O)c2c1C=O	396268230	DVRBKHIJSDKVSJ-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CN(CC[S@](C)=O)C[C@H](O)CCl	398849494	QDFFREMOYNGSNN-KRTXAFLBSA-N	213.730	-0.104	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnc[nH]1	404979516	GWQVSSFPOICOFU-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1cccc(B(O)O)c1	405053693	JVCXZKRZXQLUJH-GZMMTYOYSA-N	233.076	-0.361	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cn(C)nn1	690436260	HGLOZONPUIRFHK-MRVPVSSYSA-N	226.284	-0.985	50	10	BBGE	
CCN(C[C@H](C)O)C[C@@H]1CC[C@@H](C(=O)NN)O1	692175725	XPGLUGACCZTXEX-GUBZILKMSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(N2CCC2)CC1	700439226	VSWNMYDUNLKEOW-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CCCOCCC(=O)NNC(N)=S	700857799	HUPJUCMZSIBDCH-UHFFFAOYSA-N	205.283	-0.333	50	10	BBGE	
CCN(C(=O)NN(C)C)[C@H](C)C(=O)O	707972187	KVNDUPKIENUTPE-ZCFIWIBFSA-N	203.242	-0.032	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708079223	DXDCIZSLWIVNDK-KXUCPTDWSA-N	229.324	-0.439	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](CO)CN(C)C	716786302	OYOROKVKHDOWGI-RQJHMYQMSA-N	208.689	-0.348	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718261619	WRZMBBHRUSNCCS-ZKKRXERASA-N	239.319	-0.136	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)nn1	808376440	GVDIZUUVJSPQAZ-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
CN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	817214617	ARDHEDUKLIAFBT-DTWKUNHWSA-N	241.291	-0.593	50	10	BBGE	
CC(Cn1cccn1)=NNC(=O)c1cn(C)nn1	853382485	CLUXFVPKDYEBRQ-UHFFFAOYSA-N	247.262	-0.183	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@](C)(O)C(C)C)n1C	856047140	ZDUOKEVBBUSBBV-JTQLQIEISA-N	241.295	-0.026	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CSC(=O)N1	910171033	QOUJFQNFNJQRPG-NTSWFWBYSA-N	233.293	-0.845	50	10	BBGE	
Cc1cc(C#N)cnc1C(=O)NNC(=O)CO	1183078457	OHRSBPVFUXACQM-UHFFFAOYSA-N	234.215	-0.985	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NNC(=O)NC	1292009199	AYAFVBPVPHQAOX-UHFFFAOYSA-N	229.236	-0.544	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNc1nnc(C)n1C	1301229954	KJZOJBYOACEAAI-MRVPVSSYSA-N	238.295	-0.339	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc2[nH]ncc2c1	1464431236	PFMYWWBTGGYEMO-UHFFFAOYSA-N	234.219	-0.468	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)CO)cs1	1472537110	UFYADBKJIWUJNB-UHFFFAOYSA-N	225.229	-0.627	50	10	BBGE	
Cc1nn(C)cc1CC(=O)NNC(=O)N(C)C	1597965406	GSBLSVUGPWFQCV-UHFFFAOYSA-N	239.279	-0.427	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H](C)CC(N)=O	1652535987	CTHRSFUICLHMSH-QMMMGPOBSA-N	239.275	-0.551	50	10	BBGE	
C=C(CC)CNC(=O)NNC(=O)C(=O)OC	1683139069	UFEDTJAKLFVXFR-UHFFFAOYSA-N	229.236	-0.544	50	10	BBGE	
CN(C)NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C	1880122454	IZZYWKOTIAYRDW-ZETCQYMHSA-N	247.295	-0.535	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)[C@H]1C	1885870920	BSRIVPJLYWKHNY-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CN(CC(=O)N1CCNCC1)C(=O)F	1887174321	YMNKHWUNHDUEIC-UHFFFAOYSA-N	203.217	-0.561	50	10	BBGE	
O=C(F)N1CCn2c(CO)nnc2C1	1887185846	FDDONGZQCWWBSW-UHFFFAOYSA-N	200.173	-0.325	50	10	BBGE	
CC1(C)C[C@H](O)[C@H](O)CN1C(=O)CCl	1887702905	CQMUBUHCUCHVEJ-NKWVEPMBSA-N	221.684	-0.042	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NCB(O)O	1889151340	UDDFJHWNSRHVBH-LURJTMIESA-N	203.047	-0.682	50	10	BBGE	
N=c1[nH]c(=NC[C@@H]2C[C@@H]2Cl)[nH]cc1N	1893119635	PNWAXICMZCLVPM-WHFBIAKZSA-N	213.672	-0.068	50	10	BBGE	
C[C@H](CN(C)C)N(C)[C@H](C)C(=O)NN	1893428491	AGGWNRKINQQUHZ-HTQZYQBOSA-N	202.302	-0.753	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	1894287465	JRLKWQZKEBBZGM-XGEHTFHBSA-N	223.276	-0.377	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2OCC[C@@H]2C1=O	1895086615	FXZUGQDYVVTVLF-CSMHCCOUSA-N	227.264	-0.998	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](O)[C@H]1C	1901767085	ZLHIWRPZODMHSQ-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@@H]1CC[C@@H]1C(=O)NN	1901981754	WDPQIUBWLMBENE-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
Cn1ccc(CN2CC[C@@](C)(B(O)O)C2)n1	1902542501	ZUFKZCJMQSOMNU-SNVBAGLBSA-N	223.085	-0.141	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)[C@@H]1C[C@H]1F	1907456125	TUSDKISXUPMRKK-HTRCEHHLSA-N	241.002	-0.198	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)CC(C)(C)C(=O)NN	1907703824	GSWKHGSORRYVBJ-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
NC(=O)COCCNCC=CCCl	1911686195	VAIHIMFTTQXYAN-UHFFFAOYSA-N	206.673	-0.127	50	10	BBGE	
C[C@H]1[C@H](O)CCN1S(=O)(=O)CCl	1914436872	IVFDYBVGJHULDY-NTSWFWBYSA-N	213.686	-0.032	50	10	BBGE	
COC[C@H](C)C(=O)NNC(=O)C(F)(F)F	1923393142	KPPBYVJYYHVUQK-BYPYZUCNSA-N	228.170	-0.021	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(=O)N(C)[C@H](C)C1	1926006804	SSCALQRURXDNOL-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccc(=O)cc1	1927817136	XRLLRPVCZIHRPC-UHFFFAOYSA-N	217.175	-0.527	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C(=O)O1	1927915883	AJDXBTXLJKHTKZ-QYNIQEEDSA-N	213.237	-0.547	50	10	BBGE	
CN1C(C)(C)[C@@](C#N)(N=C=O)CS1(=O)=O	1931280487	MWDNITZKBDNPDV-QMMMGPOBSA-N	229.261	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CC1(C)C	1934002747	FFVMJDQRKLUPDC-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
CO[C@H]1CCCN(CCC(=O)NN)[C@@H]1C	1934287088	NXBATFSXZLBFKR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(C)(CO)C1	1935358618	LSDPTVIJAHJOTN-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)C(C)(C)CO	1935942864	XJBVQKAERNDIFL-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2CC1(CO)C2	1936082396	FCSIQCILDXYABD-QMFGVRBNSA-N	225.292	-0.931	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COC[C@H]1CCl	1937180098	LTJJSDGWNMXMOT-SFYZADRCSA-N	244.682	-0.352	50	10	BBGE	
CC1CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)C1	1941087985	ODIGSUIKUJJESE-YUMQZZPRSA-N	239.275	-0.603	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1942496462	YFNCNEZRCHKFJS-UMNHJUIQSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2OCCO[C@H]2C1	1944743053	ABOWJCSJXCWTCI-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1947069914	LEYNOAZWGJMOPS-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]([C@@H]2CCCOC2)C1	1947536159	LYWZIVKBVYKDBU-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@@H](O)C[C@@H]1O	1954819842	XYIYFUUBRRYMTE-GBNDHIKLSA-N	207.657	-0.386	50	10	BBGE	
CN(CCCC(F)F)C(=O)C(=O)NN	1954984524	VDEOEDYTFPUJGX-UHFFFAOYSA-N	209.196	-0.520	50	10	BBGE	
CC1(C)CC(=O)N1C[C@@H]1C[C@H]1C(=O)NN	1958183093	HKVCEDACCUKRPD-NKWVEPMBSA-N	211.265	-0.377	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CCCC1	1961282530	BHOOEMKHLYLFJM-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
Cc1ccnc(OCC(F)F)c1B(O)O	1961696169	NLNPPPDIXVKPKW-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccc(B(O)O)cc1	1970330327	YZPUWVBQVYMGMC-LBPRGKRZSA-N	245.087	-0.102	50	10	BBGE	
NNC(=O)N[C@@H]1COC2(CCOCC2)C1	1975214994	KWKUTQZFVYTICO-ZETCQYMHSA-N	215.253	-0.503	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CCCCC(=O)NN	1979616397	QGLHDHLFNGNWQE-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CCN(CCO)C(=O)C1	1981025272	XSZWWORCGSLFPP-QMMMGPOBSA-N	248.710	-0.476	50	10	BBGE	
COC[C@H](C)N(C)c1ccc(B(O)O)cn1	1981414617	ULYAKCBIYKRTKZ-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
CC[C@H](C)CN(C)c1ncncc1B(O)O	1981416539	QEOLGTWXRCFNBH-QMMMGPOBSA-N	223.085	-0.361	50	10	BBGE	
CCOCCN(CC)c1nc(B(O)O)cs1	1981473384	YIXQECCDQJRINJ-UHFFFAOYSA-N	244.125	-0.314	50	10	BBGE	
CN(CCCO)Cc1cnsc1C(=O)NN	1981730242	MINWJRMPOJGEQB-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
N#C[C@@H](Cl)CN(CC(N)=O)C1CCNCC1	1982217823	ZCVBFSNYPZVAEN-MRVPVSSYSA-N	244.726	-0.343	50	10	BBGE	
C/C=C/CCCn1cccc(B(O)O)c1=O	1984588545	DGAGQVDOSAAXKP-NSCUHMNNSA-N	221.065	-0.116	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC=C[C@H]1CO	1985653749	XQRGBVHRDIGUDU-KXUCPTDWSA-N	225.292	-0.765	50	10	BBGE	
CO[C@H](C)COCc1ccccc1B(O)O	1986050830	JTJYLADDDLWZFE-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1987531615	XMTICOBENARWED-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@]12CCOC2	1991339012	UIUCYHMWAOFVSA-WPRPVWTQSA-N	225.053	-0.903	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H]1Cl	1991680655	SDVRHZURVYSJMJ-FSPLSTOPSA-N	240.455	-0.673	50	10	BBGE	
N[C@H]1CN(C(=O)/C=C/C(=O)Cl)CC[C@H]1CO	1991709306	HUVHSEGVHJZHLL-HIQWKFPQSA-N	246.694	-0.524	50	10	BBGE	
O=C(C[C@@]12CCC[C@H]1C2)NCC#CB(O)O	1992140614	JYGISQJGVNQCMS-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
CCN(CC12CC(C(=O)NN)(CO1)C2)OC	1993889887	BPUJSPWPDNEQDD-UHFFFAOYSA-N	229.280	-0.591	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1995925330	DTXBLDPJVIHGDF-GXSJLCMTSA-N	247.314	-0.203	50	10	BBGE	
Cn1ncc2c1CN(CC(C)(C)C(=O)NN)C2	2003027295	MBDWIYHMXVUKCO-UHFFFAOYSA-N	237.307	-0.248	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CN(C)CC[C@H]21)C(=O)NN	2004170502	ORCCUVQWBQOKMH-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@H]3C[C@@H]32)o1	2004486433	LECUNERPFHBTIH-WPRPVWTQSA-N	237.259	-0.144	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncncc3B(O)O)C[C@H]21	2004912855	YWLWNEUDCPLTCU-OCAPTIKFSA-N	233.080	-0.751	50	10	BBGE	
CCN(CC(C)C)c1ncc(B(O)O)c(C)n1	2004974076	FLBUMVWTFCVJES-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1cnc(N2CC[C@H]2C(F)F)c(B(O)O)c1	2005015466	ATPYCGKXPJNXMP-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)C1(CO)CC1	2012613203	NKLILPBQMDPPTR-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@]1(O)CCOC1	2013283465	BHWWVOLWHCIBGM-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016372054	XCIBVNIEFRBJMS-CQZONYGUSA-N	239.319	-0.423	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)C1(CCF)CC1	2018887880	PPVIFNQNAJNOHK-ZCFIWIBFSA-N	247.031	-0.832	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN(C)CC1(C)C	2019210953	ORLTWJQSFOHLQX-UHFFFAOYSA-N	242.323	-0.820	50	10	BBGE	
C=C(CN1C[C@H]2[C@H](N(CC)CC)[C@H]2C1)B(O)O	2021159711	XUMSMFACOIEYEN-GDNZZTSVSA-N	238.140	-0.173	50	10	BBGE	
C#CCCN(C)C(=O)c1ccccc1B(O)O	2022197062	WXCBVRDJWNFMNC-UHFFFAOYSA-N	231.060	-0.538	50	10	BBGE	
Cc1ccncc1Cn1nc(C)c(B(O)O)c1C	2039457437	HHRYBDRTKPXHGR-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
C[C@@]12CCCC[C@@H]1CN2c1ncc(B(O)O)cn1	2052467178	NPULMBASMRFZLH-BXKDBHETSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@H](C2CC2)C1	2052468926	KIYLPEWWXSMJJP-JTQLQIEISA-N	247.107	-0.217	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC3(CC3)C2)n1	2052619358	DUBRZFVVURRWTN-UHFFFAOYSA-N	247.107	-0.236	50	10	BBGE	
O=C(CC1CC1)NCCc1ccc(B(O)O)cc1	2058049131	KMAVDHONJLWFJY-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
CCc1cc(B(O)O)c(C#N)c([N+](=O)[O-])c1	2060282208	FTEFTFJNHNAWAJ-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1cc(B(O)O)c([N+](=O)[O-])cc1C#N	2060306708	NQSLFYYQUZCAEQ-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3CC[C@@H]3C2)n1	2068129733	PDHYDHPHFQGZPW-NXEZZACHSA-N	247.107	-0.299	50	10	BBGE	
N[C@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2212610130	CUWJNHCKHNMYDB-YUMQZZPRSA-N	221.069	-0.947	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2OC[C@@H]3CCC[C@H]32)c1	2213224119	YUGCBGOPAQXWPU-GDPRMGEGSA-N	236.080	-0.622	50	10	BBGE	
CN(C)NC(=O)NCCc1n[nH]cc1C(=O)O	2214418866	ARFMRRJRMSFETA-UHFFFAOYSA-N	241.251	-0.574	50	10	BBGE	
NNC(=O)C1(CN2CC([C@H](F)CO)C2)CCC1	2216527907	IYGOYOJDQRVTRM-SECBINFHSA-N	245.298	-0.591	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C3(CC3)C2)CCC1	2216529352	CEIYIMNTFYUHNH-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12C[C@H](CO1)C2	2217171327	APGBSUKGRWYYML-DKTWLAJQSA-N	234.064	-0.648	50	10	BBGE	
CC[C@@](C)(CCO)Nc1ccc(B(O)O)cn1	2217176996	DCEMNURUTVLUFY-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
CC(C)C[C@@H](N)COc1ccc(B(O)O)cn1	2217182932	DTDPXVJBXCLQFG-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@@H](O)C(C)(C)CNc1ccc(B(O)O)cn1	2217197888	SNZRRRICGSDTFC-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCCN2)c1	2217200649	AMZIKQMJRODKAR-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
O=C1[C@H]2C=C[C@@H](C2)N1Cc1cccc(B(O)O)c1	2220062394	KUNNXVIXIXSOTI-JQWIXIFHSA-N	243.071	-0.347	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2223668931	DDANRGYITCREIO-MNOVXSKESA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](O)CC23CCC3)nc1	2223672205	SIDFWHAHFDYHKY-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2cc(B(O)O)ccn2)CC1	2223675052	PDSAQIVUPJCDMD-MNOVXSKESA-N	249.123	-0.167	50	10	BBGE	
C[C@H](CCC(=O)NN)OC1(C)COC1	2242122372	QEEKMPDZMLDUNK-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
CCC1(NC(=O)c2nscc2B(O)O)CC1	2243347760	PKVLNNKJMAKKSH-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
N#CCCCNC(=O)c1cscc1B(O)O	2243348268	WHUOIDOXPWZAJM-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2F	2243349738	PWJWOHVHXUMRFK-XAVMHZPKSA-N	225.028	-0.745	50	10	BBGE	
CN(CCCF)C(=O)c1ncsc1B(O)O	2243358006	ALSWTXHDCSUZRE-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
Cc1nc(C(=O)NOC(C)C)c(B(O)O)s1	2243359753	XDDNIHDJHNEYGY-UHFFFAOYSA-N	244.081	-0.799	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]1C1CCC1	2243362504	RXLFCZVSKZLBOU-ZJUUUORDSA-N	221.065	-0.446	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CNC1	2243383327	WXKKVIRQKHCLAV-OCAPTIKFSA-N	226.085	-0.892	50	10	BBGE	
COCC[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396366	LHBLATFXWMSDBB-AFPNSQJFSA-N	229.085	-0.219	50	10	BBGE	
CCN(OC)C(=O)c1cc(B(O)O)sc1C	2243397415	ASEASKNWHZHFCB-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@@H]2CCCCC[C@@H]12	2243398216	BXYCSYPZACMNPE-RKDXNWHRSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2coc(B(O)O)c2)[C@@H]1C	2247738764	VKRNBVQIQABSMJ-SRSLHRDFSA-N	237.064	-0.409	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]([C@H]2CCCO2)C1	2247739240	ZHPKLERSBWALAQ-NXEZZACHSA-N	237.064	-0.971	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]2C[C@@H]2C1	2247742623	RMJLWADCWHFSMF-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1CC(CNC(=O)C#CB(O)O)C[C@H](C)O1	2247748251	ZVHXMBHDGGBARS-IUCAKERBSA-N	239.080	-0.678	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247799225	AZKFPXNNSOEHKO-IVZWLZJFSA-N	238.096	-0.822	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810602	YSXBTCOZOCPTRS-DOLQZWNJSA-N	240.112	-0.789	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1coc(B(O)O)c1	2247854626	GDIUNSQFBHWIDM-QMMMGPOBSA-N	235.048	-0.511	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)C1CC(B(O)O)C1	2247859785	PGEDAKPTCKEJHC-AUXWQGHOSA-N	241.096	-0.389	50	10	BBGE	
O=C(NC1C[C@H]2C=C[C@@H](C1)O2)C1(B(O)O)CC1	2247871764	HKLGSUODFDRNLH-CBLAIPOGSA-N	237.064	-0.404	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cnn(C)c1B(O)O	2247872750	XXNWTGQTANJFLM-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
C[C@@H]1CC[C@@](O)(CNC(=O)C2(B(O)O)CC2)C1	2247873788	LYVIDJYCPBMQJQ-SCZZXKLOSA-N	241.096	-0.339	50	10	BBGE	
NC[C@H]1C[C@H](F)CN1C(=O)C1(B(O)O)CCC1	2247875045	RUCGBCSTYYQCCK-JGVFFNPUSA-N	244.075	-0.719	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)[C@H]1C[C@H]1B(O)O	2247899584	OLCVNHJFHYWBJQ-KVEIKIFDSA-N	245.059	-0.926	50	10	BBGE	
CC(F)(F)C(=O)Nc1ncc(B(O)O)cc1F	2248395606	OCCJJFYFOCCYBQ-UHFFFAOYSA-N	247.969	-0.506	50	10	BBGE	
CCCC[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248592857	HCGRVGYZTQKQMO-MRVPVSSYSA-N	241.052	-0.849	50	10	BBGE	
CC1CC2(C1)CC(CNC(=O)C#CB(O)O)C2	2250454860	HKZXQFQHIPZFOM-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
O=C(Nc1ncco1)c1cncc(B(O)O)c1	2252744821	HASGDJFQCQOOHZ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1cc(NC(=O)c2coc(B(O)O)c2)n(C)n1	2255456890	UVUANXSMOFRIED-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
COC1CN(C(=O)c2cc(B(O)O)ccc2C)C1	2255736178	IFTHLTWSTSQBQD-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1occc1B(O)O	2255740741	FIOGLAKYYLJCPL-PSASIEDQSA-N	249.075	-0.122	50	10	BBGE	
CCCC1(NC(=O)c2nccnc2B(O)O)CC1	2256066308	AFBVWBXYHDXZKP-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1nccnc1B(O)O	2256069790	QLSOAKPKTRHVOM-ZETCQYMHSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(C)c(C(=O)NCC#CB(O)O)c(O)n1	2256596166	UYVXOIIKTRHVFV-UHFFFAOYSA-N	248.047	-0.851	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CCCC[C@H]21	2258136745	NGNZPXFRDWQMSO-GZMMTYOYSA-N	249.075	-0.026	50	10	BBGE	
CCc1ncncc1C(=O)NCCC#CB(O)O	2258962766	KVQFLZHYCGQBBU-UHFFFAOYSA-N	247.063	-0.826	50	10	BBGE	
C=C(C)C(=O)NCc1ccc(OC)c(B(O)O)c1	2264099126	FSCGLKPVXKRIRG-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298164813	JLMPFCMVPYVKGW-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298369573	YQSVKWWNHCLFHF-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
C#CC#CC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2300113634	PTVJKMGBMZXUIU-PHIMTYICSA-N	231.060	-0.666	50	10	BBGE	
C[C@H]1CCC[C@@H](COCCOCC(=O)NN)O1	2301070900	HTNFJALPHOEZCN-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCOC1	2301338500	JMHOCXCHFRUDIO-JTQLQIEISA-N	232.048	-0.561	50	10	BBGE	
CC[C@@H](N)COc1ccc(B(O)O)cc1C#N	2301341132	LTHFFJQCPZAIJF-SNVBAGLBSA-N	234.064	-0.646	50	10	BBGE	
O=C([C@H]1C[C@@H]2C[C@@H]2CO1)N1CC[C@@H](B(O)O)C1	2303105170	NUVKRXNWRWBDBR-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)Cc2cc[nH]n2)C1	2303108440	HXCQZXFJBSHNIK-SNVBAGLBSA-N	237.068	-0.582	50	10	BBGE	
OB(O)c1cc(N2CCC[C@@H]2CF)ncc1F	2303847990	RKSDUXCSPPUASP-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ccc(B(O)O)cn1	2304083787	LNXJAOJWJIAZGF-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)C[C@H]1C(C)C	2304254600	YVQMCCSTLOHFHD-UWVGGRQHSA-N	243.307	-0.755	50	10	BBGE	
CC(=CCNC(=O)c1n[nH]cc1B(O)O)C1CC1	2315256513	GGNNGAKMLAZHNI-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
CC1(CN)CN(c2ccc(B(O)O)cc2C#N)C1	2317166749	YROPUVQRSQMFKU-UHFFFAOYSA-N	245.091	-0.977	50	10	BBGE	
Cc1ccnn1C[C@@H]1CC[C@H](C(=O)NN)O1	70687600	FUEYSTKVSYFINV-DTWKUNHWSA-N	224.264	-0.271	50	10	BBGE	
CCOC(=O)/C(C=O)=C1\NC(=O)CS1	75625009	AUEWREHIVLKODG-FNORWQNLSA-N	215.230	-0.177	50	10	BBGE	
C[C@@H](Cn1cnc([N+](=O)[O-])c1)C(=O)NN	82471303	AXAOJBBXLZDXCB-YFKPBYRVSA-N	213.197	-0.583	50	10	BBGE	
Cn1c(=O)c2nc(CCl)n(C)c2n(C)c1=O	82517209	SWNTXEUCQIMCQB-UHFFFAOYSA-N	242.666	-0.291	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCCOC1)C(=O)NN	82545680	ORNJSUVBUFJJMT-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
COCCCN/C(S)=C(\C#N)C(N)=O	100307333	MZNZEQXMPCASGN-VURMDHGXSA-N	215.278	-0.237	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@@H]2CO)o1	110591816	IHWHNXFEVCIRRF-MRVPVSSYSA-N	239.275	-0.160	50	10	BBGE	
COCCCC(=O)NNC(=O)[C@H]1CCCO1	130339921	PEUFOASTAPLIRJ-MRVPVSSYSA-N	230.264	-0.261	50	10	BBGE	
CN1C(=O)C(=O)N(C[C@@H](O)CCl)C1=O	157823605	PUUKCWOGKUFGLV-BYPYZUCNSA-N	220.612	-0.993	50	10	BBGE	
COc1cc(NC(=O)C(=O)NN)ccc1F	162940625	CHDAPIRFVCEAGD-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CN(CC1(O)CCOCC1)C(=O)NN	167187910	LIMHVXGKWUTJCW-UHFFFAOYSA-N	203.242	-0.957	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCCN(C(=O)CCl)C2)N1	167971545	RHFKANYVIBFEKO-VIFPVBQESA-N	245.666	-0.574	50	10	BBGE	
N#Cc1ccc(-n2cc(B(O)O)cn2)cc1	203615037	VBLADWVJFFHFPB-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
Cc1nc(C)n(Cc2cc(F)cc(B(O)O)c2)n1	211636201	SCZAOBHUMUQLTN-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
CC[C@H](C)NC(=O)/C(C#N)=C\NCCO	216645484	RJEQYDOEVXMWBB-FZGDARCMSA-N	211.265	-0.110	50	10	BBGE	
N#C[C@H](Cl)CN1CCO[C@@H](CO)C1	228520499	JMOLDLKMXIJUSX-JGVFFNPUSA-N	204.657	-0.190	50	10	BBGE	
COC[C@@H](CO)NC(=O)CBr	229036832	NOJJSMOLSLJUNQ-RXMQYKEDSA-N	226.070	-0.495	50	10	BBGE	
Cc1cc(=O)[nH]c(=O)n1C[C@@H](O)CCl	232627169	JKVHHYVYQYGRQY-LURJTMIESA-N	218.640	-0.555	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)[C@H]1CCOC1	234541283	SSVSQTRUSUIJQU-BQBZGAKWSA-N	235.667	-0.081	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@H]1O	252918333	CKUTVNOOQCUAOQ-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C1	300046612	XRXCDEAWDMCCEC-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
O=[N+]([O-])c1c(B(O)O)ccc(F)c1F	307106843	KKUUFVNIPDXFNW-UHFFFAOYSA-N	202.909	-0.447	50	10	BBGE	
CN1CC[C@]2(CCN(CCCC(=O)NN)C2)C1	310525494	OPPJGYIMFPPGHN-LBPRGKRZSA-N	240.351	-0.216	50	10	BBGE	
CC1(CN=c2[nH]c(CCl)nc(=N)[nH]2)COC1	380977091	BQLZEMMOEHLBFJ-UHFFFAOYSA-N	243.698	-0.107	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ncccc1F	381237237	MEFUXQWZFYIQCB-UHFFFAOYSA-N	227.151	-0.683	50	10	BBGE	
CCN(CC)[C@H]1[C@@H]2CN(CC(=O)NN)C[C@@H]21	395258044	MYXRSOIYOIQLPC-JZYVYDRUSA-N	226.324	-0.752	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@@H]1CCCOC1	402693462	MJCHFHPIRSBMCO-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC(C)NC(=O)NCc1ccccc1B(O)O	405130792	FUCHRKOSUDSZQP-UHFFFAOYSA-N	236.080	-0.426	50	10	BBGE	
CCOC(=O)NNS(=O)(=O)c1cnc(C)[nH]1	491042439	SXFWIRWGLBYRPQ-UHFFFAOYSA-N	248.264	-0.342	50	10	BBGE	
O=C1CN(C[C@@]23COC[C@@H]2C3)CC(=O)O1	689259277	DWKYBRLHXBPWQA-XVKPBYJWSA-N	211.217	-0.592	50	10	BBGE	
C[C@@H](CN1CCSC[C@H]1CCO)C(=O)NN	689851295	QXQUDVTUQQLFPD-DTWKUNHWSA-N	247.364	-0.588	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2c[nH]ccc2=O)CC1	692136965	XLUMFCLACVCFPX-UHFFFAOYSA-N	247.254	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC(=O)N(C)C	695063294	UIRITWQRKVROST-SECBINFHSA-N	244.339	-0.589	50	10	BBGE	
CN(N)C(=O)CNC(=O)c1ccccc1F	704681695	PXZRIHZDICCLSU-UHFFFAOYSA-N	225.223	-0.112	50	10	BBGE	
CC1CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	704946142	KRBNPYBXLVIPIA-RKDXNWHRSA-N	213.281	-0.524	50	10	BBGE	
CN(C)S(=O)(=O)N(C)[C@@H]1COC[C@@H]1Cl	709087554	PIHCOVYSJTUQSN-NKWVEPMBSA-N	242.728	-0.269	50	10	BBGE	
C[C@H](CN1CCO[C@H](C2CC2)C1)C(=O)NN	709908345	GGGBWGMSHUNLBZ-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
O=C(CCOC1CC1)Nc1ccc(B(O)O)cc1	716964449	OOQZILXWQATBQW-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893041	PEJXNJBDRQSHST-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723696407	CHZWZWJPFAZYGM-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1[CH]SC=C1	725711711	RPVQUYRFBGBCSV-ZETCQYMHSA-N	249.080	-0.262	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)NC1CCCC1	746173745	KTLSFIRUGTUZSI-UHFFFAOYSA-N	228.252	-0.865	50	10	BBGE	
CCN1CC(CN(C)[C@@H](C)CC(=O)NN)C1	822036775	JBFSVOHORHCRMW-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cccnn1	910184588	UJAIQVYRNJRDHM-SSDOTTSWSA-N	210.237	-0.566	50	10	BBGE	
CCO/C=C(/C#N)C(=O)Nn1cnnc1	1466429009	OZYUCQZFSRXQPN-DAXSKMNVSA-N	207.193	-0.208	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)c1ncc[nH]1	1616871340	PBZXDXSCKYJDLP-UHFFFAOYSA-N	234.219	-0.864	50	10	BBGE	
COCCN(C)NC(=O)CCc1nnc(C)o1	1640520105	QMIZJOUFLWIEMT-UHFFFAOYSA-N	242.279	-0.080	50	10	BBGE	
CCN(CCO)NC(=O)c1nccnc1N	1643677600	JZFGJSZNJAHUKI-UHFFFAOYSA-N	225.252	-0.982	50	10	BBGE	
C[C@H](CCl)NC(=O)CCn1cnnn1	1884661975	BKIQGOSPROKPSJ-ZCFIWIBFSA-N	217.660	-0.193	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)F)C[C@H]2N1	1887188662	SYDAOHBVNZLQPM-PHDIDXHHSA-N	202.185	-0.335	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1CCCOC1	1888042417	GLEVZAXEMQZUFP-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	1889167107	GMOBKCBPPJLULW-KCQQBQQISA-N	205.208	-0.581	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1[C@@H](C)O	1890503081	HGNQWGIQYJOXDG-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
CCCOCc1nc(B(O)O)cs1	1891824356	VPUMKVSGNZTMHQ-UHFFFAOYSA-N	201.056	-0.251	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894665146	IWMRIRQTRDTCCD-ATZCPNFKSA-N	227.308	-0.685	50	10	BBGE	
COCC(COC)CN(C)C(=O)NN	1896968139	HIJKTAOKOYNGBQ-UHFFFAOYSA-N	205.258	-0.590	50	10	BBGE	
CN(CC1CC1)C(=O)c1cnsc1B(O)O	1900451424	NHUJEIRJTGDJFG-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(NC[C@@H]1CN[C@H]2CCN1C2)[C@H]1C[C@H]1Cl	1902634840	YUELFJZEPTZPSB-AATLWQCWSA-N	243.738	-0.224	50	10	BBGE	
C=C1COCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	1904706650	VGXCRWDAVLLUSL-RKDXNWHRSA-N	225.053	-0.736	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1cc(B(O)O)cs1	1905062551	CRQPPCITLMLABV-KNVOCYPGSA-N	243.068	-0.342	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N([C@H](C)CC(=O)NN)C1=O	1907613631	VXZSAEJRFLBKBA-BWZBUEFSSA-N	241.291	-0.214	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1[C@@H]2NCCO[C@@H]21	1909272010	FWAUHRQZMVKOSZ-LLGBLBKNSA-N	230.695	-0.141	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914261797	IHSQTUKRRSHLBC-IWSPIJDZSA-N	215.297	-0.544	50	10	BBGE	
CN(C)C(=O)C(=O)NNC(=O)OC(C)(C)C	1923393405	GJGUISXDIVTANB-UHFFFAOYSA-N	231.252	-0.370	50	10	BBGE	
NNC(=O)CSc1nc(O)ncc1F	1929953535	WMGCPAUMVCXULY-UHFFFAOYSA-N	218.213	-0.597	50	10	BBGE	
COC(=O)N(C)Cc1sccc1B(O)O	1935214219	OEIXDAMJJBKNKQ-UHFFFAOYSA-N	229.066	-0.374	50	10	BBGE	
O=C1CN([C@@H]2COC[C@@H]2C2CC2)CC(=O)O1	1936119705	DYBGMXNMNSPUAX-RKDXNWHRSA-N	225.244	-0.203	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCOCC(=O)NN)CO1	1936535480	SRAFYSVMQKTCTJ-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1939208089	RSKSVILPIFLWKQ-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
N#C[C@H](O)[C@@H](N)[C@H](CO)c1ccccc1	1952821836	SRXMDXIFKIUGIH-VWYCJHECSA-N	206.245	-0.026	50	10	BBGE	
O=C1CN(C[C@@H](O)CCl)CCCN1	1954822801	VCEOSJDBSAZMGE-ZETCQYMHSA-N	206.673	-0.592	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1955651509	CNYWQNFKJMIZGP-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958805140	PYGVIVQWLFTYCN-QMGXLNLGSA-N	233.695	-0.044	50	10	BBGE	
C[C@H](CN(C)Cc1cnsn1)C(=O)NN	1960522082	SPSNRTPRTDRSHJ-ZCFIWIBFSA-N	229.309	-0.404	50	10	BBGE	
CN(C(=O)CCl)[C@@H]1CCC(=O)NC1	1970965519	GRIGCKUAUVMGOW-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	1978979420	IADUASGCLBLSMF-MIMYLULJSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)C2CC2)[C@@H](N=C=O)CO1	1979163047	KGDUGGPEIWTTFX-VXNVDRBHSA-N	246.288	-0.139	50	10	BBGE	
O=C1CN(C2CN(C3CCC3)C2)CC(=O)O1	1980545851	KJYUOSJZYBSBIP-UHFFFAOYSA-N	224.260	-0.392	50	10	BBGE	
Cn1cc(CN(CC(=O)NN)C2CC2)cn1	1980749899	NTFOTZJECJWTMI-UHFFFAOYSA-N	223.280	-0.626	50	10	BBGE	
CCCN(C(=O)NN)[C@@H]1CCCCNC1=O	1981043323	LBXYROLXTWUCOO-MRVPVSSYSA-N	228.296	-0.050	50	10	BBGE	
CP1(=O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1981160151	GRIWXIUITXVUKY-IUCAKERBSA-N	245.263	-0.079	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)n1	1981469583	VIFACUJBBJYLPS-NGJRWZKOSA-N	236.105	-0.333	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981544068	VNHGJJWYTVTTBW-WSSOQDAQSA-N	227.308	-0.687	50	10	BBGE	
O=C(NC1CC(Cl)C1)N1CC(O)(C(=O)O)C1	1983212124	VNRSPOGBCRJKMY-UHFFFAOYSA-N	248.666	-0.403	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H]2[C@H](C1)C2(F)F	1990774732	MSFGBWWVKYYOJM-KNVOCYPGSA-N	233.218	-0.649	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSCC[C@H]1C	1990774795	NJWMRQOPWGAMEY-MRVPVSSYSA-N	245.348	-0.019	50	10	BBGE	
O=C1[C@@H]2CNCCN2C(=O)N1C[C@H]1C[C@@H]1Cl	1991441672	IBTUHHOCUMSTOO-CSMHCCOUSA-N	243.694	-0.150	50	10	BBGE	
CN(C)CC1(NC(=O)C=CC(=O)Cl)COC1	1991652822	RXLAIQIPUSZUNS-UHFFFAOYSA-N	246.694	-0.245	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2COC[C@H]21	1992339293	SVHOEPJFBWBPEJ-IVZWLZJFSA-N	227.308	-0.278	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](C)[C@H]2C1	1995065592	UJWSERJQVYGNNL-UTINFBMNSA-N	227.308	-0.421	50	10	BBGE	
CN(CCCC(=O)NN)CCCn1ccnc1	2003834603	GAUVDKPUZLUOAS-UHFFFAOYSA-N	239.323	-0.025	50	10	BBGE	
C[C@@H]1OCCN(c2ccc(B(O)O)cn2)[C@@H]1C	2004911630	JGLMFSGVVUJVSG-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1ncncc1B(O)O	2004912943	ZQPJJNNQZKMFQE-BRPSZJMVSA-N	233.080	-0.751	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CCCO2)c(F)c1	2004930850	XIEVVVNXWVNTNF-MRVPVSSYSA-N	241.027	-0.542	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)nc1	2005807562	LTCQGKUOGIYWPC-MCNGFCJOSA-N	231.064	-0.999	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C(C)(C)C(=O)N1	2013376218	PBOUNUUDECBRMS-JGVFFNPUSA-N	242.323	-0.646	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@@H](C)[C@@H](C)C(=O)NN	2014232072	AOMYORAQDCYPML-VPOLOUISSA-N	240.351	-0.221	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)CC12CC2	2014772645	WJQXRBUBDQOJLI-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
CC(C)[C@]1(C)CC(=O)N1CCOCC(=O)NN	2016608069	VRDDKDBOAVXLFN-NSHDSACASA-N	243.307	-0.360	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC1CC1)C1COC1	2018185143	MZGMDZJGFCNAHS-JTQLQIEISA-N	243.307	-0.898	50	10	BBGE	
C=C(CN(C)C[C@@H]1CO[C@@H]2COC[C@@H]21)B(O)O	2021158007	VLMZAGRLWKERQJ-GMTAPVOTSA-N	241.096	-0.852	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(CO)C1	2021653311	AJXURCVVVRGVLB-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H](O)C12CCC2	2023236378	KMGFIVZERHEFHN-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
COCC(COC)COC[C@H]1C[C@H]1C(=O)NN	2026063405	UDLGWOTUXPUKJG-NXEZZACHSA-N	246.307	-0.462	50	10	BBGE	
OB(O)c1cccnc1N1CCC2(CCO2)CC1	2052494236	JRNHSARJUCEZTP-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1cccnc1N1CCOCC2(CC2)C1	2052498497	FDWMNJVYRKSFFQ-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CCC[C@H]3C2)c1B(O)O	2052553857	MQDMYVGDXBAUQS-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
CCOCc1nccn1-c1ccc(B(O)O)cn1	2062000030	ZUNWGTGNJXKIEY-UHFFFAOYSA-N	247.063	-0.516	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2071021099	CRPOCQKZAKWVNF-WVTGURRWSA-N	246.075	-0.563	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2c(c1)CCC2	2077483937	TYOZUSUZVOCFAC-UHFFFAOYSA-N	243.071	-0.080	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1cnccc1=O	2211839152	QGEKPDXNUUKHGJ-YUMQZZPRSA-N	222.248	-0.741	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2C[C@@]2(F)C1	2212305299	FUSXBJVGUKJRNT-WCBMZHEXSA-N	229.255	-0.412	50	10	BBGE	
OB(O)c1ccnc(NCCOCCF)c1	2212600156	ASEARXIAUAWXCU-UHFFFAOYSA-N	228.032	-0.841	50	10	BBGE	
CC[C@H](CN)COc1ccc(B(O)O)cn1	2212600948	GMTHILFIETUCTO-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
OB(O)c1cccnc1NCc1ccsn1	2212601617	QKBVYTITQBSRJV-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@@H](CCO)Nc1nccc(B(O)O)c1F	2212605028	WOWIVZWLSBEEQL-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
C[C@H]1C[C@H]1CCN=c1ccc(B(O)O)c[nH]1	2212605396	CVQAEKCDHDAYDQ-DTWKUNHWSA-N	220.081	-0.359	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)c1ccc(=O)n(C)c1	2213169679	XSBCDWQFHWABIH-MRVPVSSYSA-N	238.291	-0.410	50	10	BBGE	
NNC(=O)C1(Cn2ccc(O)nc2=O)CCC1	2216487031	DFLRZXMCNCKZDJ-UHFFFAOYSA-N	238.247	-0.891	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1Nc1ccc(B(O)O)cn1	2217173000	NVZPSPJDAVSFJW-SCZZXKLOSA-N	235.096	-0.877	50	10	BBGE	
OB(O)c1cnc(NC2C[C@H]3CC[C@@H]3C2)nc1	2217176096	RFNFZSBGANVDEI-HTQZYQBOSA-N	233.080	-0.243	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNc1ncccc1B(O)O	2217183768	KYNPUCAFKQVHJS-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H](O)C(F)F	2217202972	NVAHSCXJIOBKAN-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
CC1(C)CCN[C@H]1CNc1ncccc1B(O)O	2223635711	ASODLTNFMSWSSL-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H]3CC[C@H]2O3)c1	2223642289	HKMDWABJGOJULR-GARJFASQSA-N	248.091	-0.117	50	10	BBGE	
C=CCN(C)C1CN(c2ncccc2B(O)O)C1	2223669761	OEMZEDFCHGIBMY-UHFFFAOYSA-N	247.107	-0.932	50	10	BBGE	
CO[C@H](CCl)CNCCS(C)(=O)=O	2242448671	HOVLVOZPTOLYHF-SSDOTTSWSA-N	229.729	-0.126	50	10	BBGE	
CC[C@@H](C(F)F)n1cc(B(O)O)cn1	2242499317	LQSUYOXMBWUYRS-LURJTMIESA-N	203.985	-0.221	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@@H](CO)O[C@H]2C1	2242759634	HHSMHYQHTSQIJP-KZVJFYERSA-N	249.694	-0.399	50	10	BBGE	
O=C(Nc1cnoc1)c1occc1B(O)O	2243358377	GESQZDVGRLZJFH-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
CC(C)CN(C)C(=O)c1sncc1B(O)O	2243385807	OQAIQDPKCWJIFY-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
O=C(NCCc1ccon1)[C@H]1C[C@@H]1B(O)O	2243392792	XFGBWFGMXUONCF-YUMQZZPRSA-N	224.025	-0.804	50	10	BBGE	
CC(C)(N)CCCNC(=O)[C@H]1C[C@H]1B(O)O	2243392856	XPXLEJRAIBBBIO-JGVFFNPUSA-N	228.101	-0.517	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2243397016	UJHDRPDNTLDDQI-BBBLOLIVSA-N	221.065	-0.136	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccc(B(O)O)o1	2243400391	AFOXPVAUOZLMCI-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
C#CCCCN(C)S(=O)(=O)CC(=C)B(O)O	2243434430	YKCBHKWXKVMRPW-UHFFFAOYSA-N	245.109	-0.770	50	10	BBGE	
O=C(NCCF)c1cccc(Cl)c1B(O)O	2243508189	CZXFVWGIEIGIBB-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
CC=CC(=O)N[C@@H](C)c1nscc1B(O)O	2243685136	NUKCYRNSVPUCIV-LURJTMIESA-N	240.093	-0.424	50	10	BBGE	
CCCN(C[C@H](C)O)CC(F)(F)C(=O)NN	2244883477	SYUHRYAJGKALTI-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
CN1CCN(CC(=O)NN)[C@H](C(C)(C)C)C1	2245220911	ASTZECDSLLCVMF-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
C#CCN(CCF)C(=O)c1ccoc1B(O)O	2247741442	ZUHBQDCMJIDBNP-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
CC1(C)COCN1C(=O)c1ccoc1B(O)O	2247742678	SCZAUIVIYAJOJQ-UHFFFAOYSA-N	239.036	-0.832	50	10	BBGE	
CC1CCC(CO)(NC(=O)C#CB(O)O)CC1	2247744813	YKGIKUMWTJVZPC-UHFFFAOYSA-N	239.080	-0.941	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1cccc(B(O)O)c1F	2247759340	OVSZPGSVYVWNFI-YUMQZZPRSA-N	241.002	-0.654	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ncccc1B(O)O	2247768853	ACCOGKGSDMOTCU-MRVPVSSYSA-N	232.048	-0.956	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)n[nH]1)C1CCC1	2247780904	GTCQJIMMSSRSOE-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2CO[C@@H](C2)C1	2247787311	NHJJMVYRWMZSGP-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2CNC[C@H]21	2247787915	WKEWXUZEHPIKIY-DOLQZWNJSA-N	238.096	-0.940	50	10	BBGE	
NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790646	IMYGUGWHBOXQME-AXTSPUMRSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC1C[C@H]2C=C[C@@H](C1)O2)[C@@H]1C[C@H]1B(O)O	2247792401	SFICYTMZLKNPBS-JNSGDMPLSA-N	237.064	-0.549	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)[C@H]1C[C@@H]1B(O)O	2247797362	ISZYQPWNPBUHMW-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
NC1CC2(C1)CN(C(=O)C1CC(B(O)O)C1)C2	2247804374	GVFXDYHTPNMPOY-UHFFFAOYSA-N	238.096	-0.811	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)C1CC(B(O)O)C1	2247805074	ATKQGCOZSIKFRF-NWGYLPEXSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCc1cccnc1O)[C@H]1C[C@@H]1B(O)O	2247808357	KWYRYTZIJSVCBJ-YUMQZZPRSA-N	236.036	-0.734	50	10	BBGE	
C[C@H]1OCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247808567	VIGLYILPQTVQRK-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2247809864	RTHWQQORZAKWPR-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
CC(C)(O)[C@H]1CCCCN1C(=O)C#CB(O)O	2247846613	JNCFLURPIGJQGN-SECBINFHSA-N	239.080	-0.846	50	10	BBGE	
CC1(C)NCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247854249	ZMTHDARLBOEVAB-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@H]1C	2247858662	GTZHCHGNZRDYEJ-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
CC[C@H]1CNCCN1C(=O)C1(B(O)O)CCC1	2247873503	CHRGDFVAXYTYHR-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877161	CNMGJGQZZQCPBU-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C1CCC1	2247877505	BLAMKEXSUCDKIC-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CNC(=O)CCCNC(=O)C1(B(O)O)CCC1	2247879781	XMXLJGBCCWZXFX-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
Cc1cnn(CCNC(=O)C2(B(O)O)CC2)c1	2247879876	YOLZFQDGGBGVCD-UHFFFAOYSA-N	237.068	-0.685	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2247886486	BYYUEDISVXQRSU-LALMQGGXSA-N	239.080	-0.779	50	10	BBGE	
COC1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247887452	OJVYBKIWXQOMRF-BDAKNGLRSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247892800	IADHMHKUACCBLK-WOOKNIGNSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN(C2CC2)CC1	2247895282	QVCKLJKUZJLABK-NXEZZACHSA-N	238.096	-0.844	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1N	2247895357	RJIWXNFQAOCEEV-XKNYDFJKSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)CC(NC(=O)c2cc(B(O)O)co2)C1	2249411461	RQJCXKTXZKIDRD-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CCCN(C[C@@H](C)O)C(=O)C1CC(B(O)O)C1	2250596953	RELGMXGGEPZREV-XNWIYYODSA-N	243.112	-0.141	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1CO)[C@H]1C[C@@H]1B(O)O	2251442694	KNONLKBGVBFAKH-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
CN1CC[C@](C)(COC[C@@H]2C[C@@H]2C(=O)NN)C1	2253318595	DSNBOJGKFSXJNZ-NHCYSSNCSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1ccncc1B(O)O	2255449500	NWBIWFGHRXOBDE-QPUJVOFHSA-N	248.091	-0.463	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1coc(B(O)O)c1	2255456958	WEZATTDLZJUGAL-APPZFPTMSA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H](C)CC#N)n1	2255487953	XEQQALOSIXEUGG-QMMMGPOBSA-N	247.063	-0.898	50	10	BBGE	
C#CC#CCNC(=O)c1cc(B(O)O)ccc1C	2255512334	YDCIBIAWUBHXOC-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cc(C)cc(B(O)O)c1	2255515384	WZMFIDSVPPXFHH-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255524882	ZAGPFZQSBWAFLB-VIFPVBQESA-N	246.075	-0.591	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cn2)C1	2255533460	ZUFOCPCULZALHD-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1[C@@H]2CC[C@@H]12	2255683490	XOEOYXYUNLFIJC-GHMZBOCLSA-N	245.087	-0.187	50	10	BBGE	
Cc1cccnc1NC(=O)c1coc(B(O)O)c1	2255733719	PQYRFDZBKGHZLY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1[C@@H]2CC[C@@H]12	2257491725	PISHTHSUJDARMG-RKDXNWHRSA-N	246.075	-0.792	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368860	AMWKBKXJJQQOCL-QCLAVDOMSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369555	YIHPOFRGKAYBKY-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)[C@@H]1C[C@H]1B(O)O	2298371463	LXQUNPTXSODSLM-VAPHQMJDSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCCN[C@H]21)[C@@H]1C[C@H]1B(O)O	2298371603	PRRKGYPCUUWCNN-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2COC[C@H]21	2298371782	VOJFPOIPSMRQGL-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1COC2(CCC2)CO1	2300878957	DPDKLHLBXKSARN-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
COc1ccc(NC(=O)N(C)C)cc1B(O)O	2301548251	UHAOENQIZXBRLG-UHFFFAOYSA-N	238.052	-0.532	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CC[C@](C)(B(O)O)C2)C1	2303106306	TVYLNYNWHDIHOG-KOLCDFICSA-N	240.112	-0.597	50	10	BBGE	
CC1(Nc2cc(B(O)O)c(F)cn2)CC(O)C1	2303848333	XTGKOGKTLSHDSO-UHFFFAOYSA-N	240.043	-0.774	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC[C@@H]2COC[C@@H]2O1	2306828525	NYQUGCLYPFHIIE-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1[C@@H]2CCO[C@@H]21	2317168706	XRUUMXUFZIRKFK-WCQGTBRESA-N	244.059	-0.563	50	10	BBGE	
N[C@@H](COc1ccc(C=O)c(B(O)O)c1)C1CC1	2317350460	SQWIFZXUUOFMTB-LBPRGKRZSA-N	249.075	-0.705	50	10	BBGE	
OB(O)c1ccn(Cc2cnc3c(c2)CCC3)n1	2319491431	HWKQUYSNQPHXMI-UHFFFAOYSA-N	243.075	-0.505	50	10	BBGE	
CNCCN(C)CC(=O)NNc1ccccn1	70304109	MANDXMGTOZFTHR-UHFFFAOYSA-N	237.307	-0.324	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H](N)C1	82470171	IZOFOEGHBOSVCP-VIFPVBQESA-N	214.313	-0.430	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(N)=S)nc1	83590979	CQELEXCQFSLXON-UHFFFAOYSA-N	221.245	-0.569	50	10	BBGE	
CCCC1(O)CN(CC(=O)NNC(C)=O)C1	84374834	CBAVHELCGFULJV-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](N)C2)nc1	94763735	XFEIOTVKNJBIIJ-SECBINFHSA-N	235.291	-0.782	50	10	BBGE	
NNC(=O)C[C@@H]1CCN(C(=O)C2CC2)C1	118580954	DYQQZKTYFSTTCF-ZETCQYMHSA-N	211.265	-0.375	50	10	BBGE	
CCc1ccc(/C=C/C(=O)NNC(=O)CO)o1	131631767	WPVKNFKKZCPXMW-AATRIKPKSA-N	238.243	-0.005	50	10	BBGE	
O=S1CCN(C[C@@H](O)CCl)CC1	156320254	XPUMJLPESHNACA-ZETCQYMHSA-N	211.714	-0.350	50	10	BBGE	
C[C@H](CN1CC[C@H]([C@@H](C)O)C1)C(=O)NN	166157287	HFGQQKLOWUOOKS-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
O=C1CC[C@@H](NC(=O)C(Cl)Cl)C(=O)N1	169912280	OQXCHSYHHZBTHG-GSVOUGTGSA-N	239.058	-0.289	50	10	BBGE	
O=C(CO)NNC(=O)c1c(O)cc(F)cc1F	180959966	PBFLZDIMTYOJDD-UHFFFAOYSA-N	246.169	-0.576	50	10	BBGE	
O=c1cc(B(O)O)cc(C(F)(F)F)[nH]1	206059657	DPWNSQQWRXMCAB-UHFFFAOYSA-N	206.916	-0.927	50	10	BBGE	
N#CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@H]2CC1	210197975	MLECMDWXHVGIBO-PHDIDXHHSA-N	207.189	-0.819	50	10	BBGE	
C[C@H](Br)C(=O)N(C)CC(N)=O	235412121	QUYQDCQIUVERSQ-BYPYZUCNSA-N	223.070	-0.287	50	10	BBGE	
COc1cc2cccc(B(O)O)c2cn1	238404265	VIWUTSVDUWAZIX-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
C[C@H](CN1CC[C@H]2CC[C@@H](C1)N2C)C(=O)NN	252642400	MVSYVZDKCSJZAE-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
COc1ccc(C[C@H](N)C(=O)NN)cc1	258933620	BCUUULOHMFAENK-VIFPVBQESA-N	209.249	-0.445	50	10	BBGE	
CN1CCC([C@@H](N)CC(=O)NN)CC1	258952426	BEWKTLQZCACJKW-QMMMGPOBSA-N	200.286	-0.965	50	10	BBGE	
COC(=O)C1=C(C#N)C=NS1(=O)=O	260003570	CYPFBCVLDXHXSP-UHFFFAOYSA-N	200.175	-0.649	50	10	BBGE	
C[C@@]1(C(=O)NNc2nnc[nH]2)CCCO1	293823939	GAISWOFUWHWANM-QMMMGPOBSA-N	211.225	-0.183	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](C)C1	299995542	ICBCNJYHHAFLRR-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NN)C(C)C	300246639	LPSJYSSCLDTIGK-IUCAKERBSA-N	244.339	-0.685	50	10	BBGE	
O[C@H]1[C@@H]2O[C@@H]2[C@@H](Br)[C@H]2O[C@H]12	306315514	PVJIBJBAXAOCNY-SCCKRLBHSA-N	207.023	-0.341	50	10	BBGE	
CO[C@@H](C)CN(C)[C@H](C(=O)NN)C(C)C	308910400	WOINGZJUSXBKBF-IUCAKERBSA-N	217.313	-0.032	50	10	BBGE	
CC(C)(Cn1ccncc1=O)C(=O)NN	308975680	QUBYZFNKPJKBJF-UHFFFAOYSA-N	210.237	-0.741	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](CO)[C@@H](O)C1	317429930	LKRGFBRJANKWAZ-YUMQZZPRSA-N	221.684	-0.183	50	10	BBGE	
NNC(=O)c1coc(CN2CCCNCC2)n1	386991559	ORXAQTJPLMTAKM-UHFFFAOYSA-N	239.279	-0.927	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCCNCC1	395803826	HKLSNLZGCCXLGN-VIFPVBQESA-N	228.340	-0.314	50	10	BBGE	
CC(C)(CCN1CC[C@](C)(O)C1)C(=O)NN	395828261	YSKAAYJEEAFMKT-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCCOC1	401440946	ARKPOSIJECYTDY-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	404963414	AIHSWOJGLVJYIO-VXNVDRBHSA-N	234.064	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2ccon2)c1	404988108	QTXFYTLJVDAKCW-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NS(=O)(=O)N1CCOC[C@H]1Cl	616642394	JDHFLIHMAWZYEP-BYPYZUCNSA-N	200.647	-0.913	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C(=O)O1	688529892	SRKWAQKZEXUXOA-ZCFIWIBFSA-N	215.253	-0.157	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@H](F)C2)O1	689085917	AOYGFCBLPQMOCX-GUBZILKMSA-N	245.298	-0.042	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H](F)C2)c1	689817059	KXTBXNFPHWRSCY-NSHDSACASA-N	223.056	-0.090	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690153958	AOSBCYWCCGOYIO-ZJUUUORDSA-N	229.324	-0.296	50	10	BBGE	
CN(CCO)CCN(C)CCCCC(=O)NN	691315597	QKYPTHPYEUOBJG-UHFFFAOYSA-N	246.355	-0.998	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](CCF)C1	700562133	VYNFXQCAMXLLNH-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
NC(=O)N[C@H]1CCN(C(=O)CCl)C1	700651384	BQDVZCPAQLVKFO-YFKPBYRVSA-N	205.645	-0.506	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CCC[C@@H]1O	703477231	VHQWPPLIHBLKDD-BGZDPUMWSA-N	225.244	-0.184	50	10	BBGE	
C[C@@H](c1nn[nH]n1)N(C)C(=O)CCl	707210944	OUZVCBTWDXNYOU-BYPYZUCNSA-N	203.633	-0.042	50	10	BBGE	
Cc1nn(C)c(=O)c(C(=O)N(C)N)c1C	707588838	HZSGYKSAQGDFBR-UHFFFAOYSA-N	210.237	-0.657	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CN(C)CCO1	709402429	FBTIZOPCBSYUMM-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1COCC[C@@H]1O	710947595	USZIOSOHGCSMGF-XVMARJQXSA-N	207.657	-0.120	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCC3(CCC3)O2)c1	712419188	TZWWSHPZMFCMIX-JTQLQIEISA-N	236.080	-0.335	50	10	BBGE	
C[C]1SC(C)=C[C@H]1C(=O)NCB(O)O	725654469	ZKCWDSXLBJXONM-SSDOTTSWSA-N	214.075	-0.067	50	10	BBGE	
C[n+]1cc([S@@+]([O])(=O)NCCCl)[nH]n1	725680455	HRTQQEVVPQLHMP-ZDUSSCGKSA-O	225.681	-0.819	50	10	BBGE	
COc1nccnc1NNC(=O)c1nc[nH]n1	764469252	HBWHJOIWJJWJOZ-UHFFFAOYSA-N	235.207	-0.640	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	822562917	CYLDIENOHKWSJN-GSVPJAPCSA-N	240.303	-0.246	50	10	BBGE	
O=C(NNC(=O)C1CSC1)c1cnsn1	899372848	YGBVIRHUMKKEGT-UHFFFAOYSA-N	244.301	-0.338	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H]1CN(C)C[C@@H](C)O1	910139940	VBUGXKPKVNOTQN-IVZWLZJFSA-N	245.323	-0.951	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C	911503711	VQNLGWPZRFXDSR-FWMNBOHYSA-N	242.275	-0.504	50	10	BBGE	
CO[C@@H](C(=O)NN(C)C(N)=O)[C@H]1CCOC1	1118753162	UIFPBOUSVTWLNV-NKWVEPMBSA-N	231.252	-0.920	50	10	BBGE	
COCC(=O)NNC(=O)[C@@H]1CCCCO1	1129266239	VAAIHSLRMQHKGK-ZETCQYMHSA-N	216.237	-0.651	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H](C)N(C)C)nc1O	1306237533	INVWAKWQVXDKNM-ZCFIWIBFSA-N	240.267	-0.721	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)CCN(C)C	1440722380	MJPKZSISLXPQGF-ZETCQYMHSA-N	201.270	-0.259	50	10	BBGE	
NC(=O)C1CN(C(=O)[C@@H]2C[C@@H]2Br)C1	1877404210	GAROZZCDZMCSGT-RITPCOANSA-N	247.092	-0.287	50	10	BBGE	
CN(CCCNC(=O)F)S(C)(=O)=O	1882790423	YAOSHUMOJJTDHP-UHFFFAOYSA-N	212.246	-0.053	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)F)CC[C@@H]12	1887186824	SJZUHXRERKGAFA-UHNVWZDZSA-N	200.169	-0.330	50	10	BBGE	
CCC1(OC[C@H](C)C(=O)NN)COC1	1888698515	MOSGFXVLZIRVJZ-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
O=C(N[C@H](CO)C(=O)O)C1CC(Cl)C1	1893475306	RWXNUXGLQMSVKI-JMMWHDCWSA-N	221.640	-0.435	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H]1C[C@H]2CO)C(=O)NN	1895228969	IXILWBJLUUIPFQ-QEYWKRMJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@H]2C1=O	1895684669	VRBMLAYGLDNVEG-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCSCCO	1899643028	GDPRFJVXCLRGAC-HTQZYQBOSA-N	245.300	-0.372	50	10	BBGE	
C[C@H]1C[C@H](C)C1n1cccc(B(O)O)c1=O	1901178091	JMSBGTRDDWIZMB-YUMQZZPRSA-N	221.065	-0.255	50	10	BBGE	
C[C@H]1CCN1c1ccc(C=O)c(B(O)O)c1	1901242842	PSIDYXLJGIIHCF-QMMMGPOBSA-N	219.049	-0.223	50	10	BBGE	
C[C@H](C#N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901348359	HMUGWYVMLXBMPR-SSDOTTSWSA-N	245.304	-0.009	50	10	BBGE	
CC(C)=C(CN1CC[S@](=O)C[C@H]1C)B(O)O	1901614462	ZLORXAARAGBOHM-ABKXIKBNSA-N	245.153	-0.212	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)CC1(O)CC1	1901653345	YKFIHNAEILPAGZ-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C=CCNC(=O)CN1CC[C@@](C)(B(O)O)C1	1902540117	BMCOGLUVJQLEBR-SNVBAGLBSA-N	226.085	-0.773	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@H](F)C1	1904998941	HYOYWWQZTZKDCM-IWSPIJDZSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCC1=CCCOC1	1905025921	KIDNMPDYLDHIFC-VHSXEESVSA-N	226.276	-0.024	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]2COC[C@@H]21	1909685923	NWJSJLLHWAXJRG-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CC[S@](C)(=O)=NCCOCC(=O)NN	1913894937	RNLJSMIKEHANEL-AWEZNQCLSA-N	223.298	-0.889	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)C(C)(C)C1	1914011129	OWFZEODRUZRFNN-LPEHRKFASA-N	243.351	-0.049	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC1(CO)CC1	1915530967	HDODZHPCOIAIAW-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@@H]1CCNC1=O	1916201602	FSBHXMYHAZIOLW-NKWVEPMBSA-N	201.657	-0.062	50	10	BBGE	
CS(=O)(=O)NNC(=O)NCc1ccccc1	1923412170	FSFUPLUVHVMTEX-UHFFFAOYSA-N	243.288	-0.050	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)CC2(CC2)C1	1926025149	XABLKAARCFYIPS-VIFPVBQESA-N	241.291	-1.000	50	10	BBGE	
NNC(=O)C(F)(F)CN(CCO)C1CC1	1927815904	DJSHSJHIPLLRFX-UHFFFAOYSA-N	223.223	-0.932	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(CCCO2)C1	1928032607	JYZFQSHCALVFGF-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
N#C[C@@H]1CCCN(CCC(=O)NN)CC1	1928982616	MFVAZVDAZWOCCK-SECBINFHSA-N	210.281	-0.008	50	10	BBGE	
O=C(NNCCO)[C@H]1CC[C@@H](C(=O)O)C1	1929837817	FFJUIOCILOLLSV-NKWVEPMBSA-N	216.237	-0.900	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC[C@H]2C[C@@H]1CO2	1929838360	MJDPQYUJRHMUOB-HRDYMLBCSA-N	214.265	-0.585	50	10	BBGE	
CC1(C)CCCN(CC(=O)NN)S1(=O)=O	1929907231	COXBZVQJBLJKHY-UHFFFAOYSA-N	235.309	-0.820	50	10	BBGE	
O=S1(=O)CC[C@@H](CNC[C@H](Cl)CF)N1	1930565552	HVVQPIWPLVFWLH-RQJHMYQMSA-N	244.719	-0.155	50	10	BBGE	
NNC(=O)N(CCC(N)=O)Cc1ccccc1	1931984848	JXSAHWJXRBSHHL-UHFFFAOYSA-N	236.275	-0.053	50	10	BBGE	
CN1CC2(C1)CN(C[C@@H](O)CCl)C2	1932060597	JFEGFXBREDQUTQ-QMMMGPOBSA-N	204.701	-0.167	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(CCO)C1	1932109650	ZBCUQAKLYSEVSE-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1CCO[C@H]1COCCC(=O)NN	1932229154	MHIIOSIQRMESIH-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
C[C@@]12C[C@@H]1CN(CCOCC(=O)NN)C2	1932250369	WQEHSRAQORHURK-SCZZXKLOSA-N	213.281	-0.665	50	10	BBGE	
CC[C@H]1COCCN([C@@H](C)C(=O)NN)C1	1933533827	UAKHEOVGYFSXOD-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1936088420	NEKCWKLGFRXUOS-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936093527	FJXWERFGDGMVKK-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[S@](=O)CC1	1936093839	HZRIMARKASLYKU-DRTKUVKGSA-N	245.348	-0.933	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)CCOCC(=O)NN	1936538554	YKJPHUGRSOHEPS-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(CCOCCCl)C(=O)Cn1cnnn1	1937160762	ZCRHZAICERNVOS-UHFFFAOYSA-N	247.686	-0.613	50	10	BBGE	
C[C@H](CCC(=O)NN)OCCO[C@H]1CCOC1	1940244649	GJEYVARRJABCTP-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)CC(=O)O1	1940622513	ZIZJHYPQYOHDIS-PSOCLEGRSA-N	237.255	-0.205	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]2COC[C@@H]21	1941780485	PZPHRKVUIZIXFE-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](O)C2(CC2)C1	1944604212	ONNRIARGOWUXCO-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
C[C@]1(COc2cncc(B(O)O)c2)CCCO1	1947443787	YHEHIWYDWINUIW-LLVKDONJSA-N	237.064	-0.291	50	10	BBGE	
Cn1cccc(OC[C@H]2C[C@@H]2C(=O)NN)c1=O	1950721828	JDRBBNPNJYJDAI-SFYZADRCSA-N	237.259	-0.610	50	10	BBGE	
O[C@H]1C=CCN(C[C@H](O)CBr)C1	1953618142	OJYJFHMBHPSMRE-JGVFFNPUSA-N	236.109	-0.025	50	10	BBGE	
CC(C)OCC1CN(CC(=O)NN)C1	1956385879	PFWBGKIPFYWDJW-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](N2CC(O)C2)C1	1958209417	CTFMRWLTFQLULY-MRVPVSSYSA-N	232.711	-0.107	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC2(CCC2)C1	1960145148	ARDCKQYYQVTDMA-UHFFFAOYSA-N	211.265	-0.233	50	10	BBGE	
NNC(=O)CCCN1CC[C@H]2C[C@@]2(O)C1	1961407564	VUQHILFAMZETBS-WCBMZHEXSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21	1961458928	WGXZSOTWCBBXET-BQBZGAKWSA-N	212.253	-0.687	50	10	BBGE	
C[C@]1(Oc2nc(B(O)O)cs2)CCOC1	1961697928	ZTUSBEYPMROPQT-QMMMGPOBSA-N	229.066	-0.619	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)C1CC1	1961712999	QKBUNDZZFFEIMJ-SSDOTTSWSA-N	207.038	-0.061	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1c1ncon1	1976756797	YKFOWZUVGGRDKV-BQBZGAKWSA-N	225.252	-0.415	50	10	BBGE	
COC[C@H](C(=O)NN)N(OC)C1CCCC1	1978745246	AZIYSHLUBURPSJ-SECBINFHSA-N	231.296	-0.203	50	10	BBGE	
NC(=O)NCC1CCN(C[C@H](O)CCl)CC1	1978822257	QUEHPFWJIBWQIQ-SECBINFHSA-N	249.742	-0.034	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@H]3C2)nc1	1981415915	JVVHLYCONFOOGW-BDAKNGLRSA-N	218.065	-0.392	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNC(N)=O)C[C@H]1OC	1982332257	BHUPRTTWVMSVSU-POBXSPIYSA-N	231.252	-0.874	50	10	BBGE	
CN(C[C@@H]1C[C@@]1(C)C(F)F)C(=O)C(=O)NN	1983684777	DHHNJNKNUWLXPB-SSDLBLMSSA-N	235.234	-0.274	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](CCO)C(F)F	1984132008	MAVXLTLOEZBDCP-BQBZGAKWSA-N	239.266	-0.297	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@H]2C(F)(F)F)n1	1986781915	DHFYEZUQYALLEG-PHDIDXHHSA-N	233.986	-0.239	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@@H]2CF)c1	1989257534	ODOFYOQMFSDDIN-HTQZYQBOSA-N	225.028	-0.254	50	10	BBGE	
N=c1nc(CCl)nc(N2CC([N+](=O)[O-])C2)[nH]1	1989299306	ANEHAEFHNIIQFN-UHFFFAOYSA-N	244.642	-0.512	50	10	BBGE	
COC[C@]1(O)CCN(C(=O)C=CC(=O)Cl)C1	1991648772	SLABSZLNJPJWBL-JTQLQIEISA-N	247.678	-0.082	50	10	BBGE	
O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)C[C@@H]1O	1991691664	CSEUYCHIYJNPTJ-XUTVFYLZSA-N	247.678	-0.092	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)C(=O)/C=C/C(=O)Cl	1991703077	BZXZDXPSTWJCBN-ZKMUWOAOSA-N	249.694	-0.102	50	10	BBGE	
Cn1cnc(CCNC(=O)/C=C/C(=O)Cl)n1	1991704536	UARFIYQIVQTGID-NSCUHMNNSA-N	242.666	-0.205	50	10	BBGE	
C[C@H](CC(F)(F)F)C(=O)NCC#CB(O)O	1992166879	AGRHAEDFCQLYOP-ZCFIWIBFSA-N	236.986	-0.294	50	10	BBGE	
C[C@@H]1C[C@H]1OC[C@]12C[C@](C(=O)NN)(CO1)C2	1993891856	WBKBOOUBFCAOCU-YJFSRANCSA-N	226.276	-0.050	50	10	BBGE	
CN(C[C@]12CO[C@](C)(C1)C2)C(=O)C(=O)NN	1993941371	ZTUMOCLTKPQOOI-AOOOYVTPSA-N	227.264	-0.996	50	10	BBGE	
NNC(=O)CCCN1CCN(C2CC2)C(=O)C1	2004023500	KKGPFOOAWWSVIB-UHFFFAOYSA-N	240.307	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H]([C@H]2CCOC2)C1	2004396113	JFNDMJNRIVUTKC-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
COCC1CN(c2nccc(C)c2B(O)O)C1	2004920350	JGPGAMRFQZVNGD-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
CCOC[C@H](C)Oc1ccc(B(O)O)c(C)n1	2004935879	RCSXSEVJOVRWRK-QMMMGPOBSA-N	239.080	-0.126	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@@H](C)C2)c1B(O)O	2004973315	SJTCGSUPNFDSAN-YUMQZZPRSA-N	235.096	-0.443	50	10	BBGE	
COC[C@@H]1CN([C@@H](COC)C(=O)NN)C[C@H]1C	2006563032	QSLQWRIGPCWYFD-UTLUCORTSA-N	245.323	-0.794	50	10	BBGE	
C=CCCOCCn1cc(B(O)O)ccc1=O	2008839962	FHEWCSYCQIGRNG-UHFFFAOYSA-N	237.064	-0.879	50	10	BBGE	
CCn1nc(Cn2cc(B(O)O)cn2)cc1C	2013209655	RKJHZZUVBAXOJI-UHFFFAOYSA-N	234.068	-0.864	50	10	BBGE	
Cc1cnc(C(=O)NN(C)C)c(C#CCO)c1	2022055944	HBRSAGTYZJWUOQ-UHFFFAOYSA-N	233.271	-0.060	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	2022196093	GOFDKMLQATXJFB-KWQFWETISA-N	233.076	-0.105	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2024085900	IZSMIWYMWYWRJI-RCWTZXSCSA-N	241.335	-0.296	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)CCC(N)=O)CC1	2025612081	OJOCMNUEZNAICK-SECBINFHSA-N	236.275	-0.739	50	10	BBGE	
Cc1ncc(COc2ccccc2B(O)O)n1C	2052195630	FQQRPQSBKUZXQB-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC12CCC2	2052466172	GUWXERGTTJSMIQ-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2CC2CC2)n1	2052623529	KOJUGIHPGWBCQW-SNVBAGLBSA-N	247.107	-0.156	50	10	BBGE	
COc1cc([N+](=O)[O-])c(Cl)cc1B(O)O	2060016648	DCUMVKKOTXGLEE-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
COc1c(C#N)cc(C=O)cc1B(O)O	2060193211	PBFQTPRWLOTLLO-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
O=C(NCc1cnco1)c1ccc(B(O)O)cc1	2079010363	ZEGCPCKNIRKROH-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)C1(C)COC1	2086867793	RFLOTBTYBHLSSC-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
Cc1cc(C(F)(F)F)nnc1B(O)O	2209434769	VXGMGWLDNWDXDT-UHFFFAOYSA-N	205.932	-0.516	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(F)C1	2210011064	ZKYPGWBAFJWWDU-BKPPORCPSA-N	201.245	-0.201	50	10	BBGE	
C[C@@]1(F)CCN(Cc2nscc2B(O)O)C1	2211137707	KEEORHDYGLCROD-SECBINFHSA-N	244.100	-0.243	50	10	BBGE	
CC(C)[C@@H](OC[C@H]1CCN(C)C1)C(=O)NN	2211767128	NCBWXWJYQUCFAR-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[S@](=O)C1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838349	GLIIVIVUWTZIEW-QICQVJHXSA-N	245.348	-0.935	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(OC)C1	2212333481	CDUXNZWSVABULK-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C#N)CN(C)c1cc(B(O)O)ccn1	2212601837	UNKHHVJHGGDQHJ-QMMMGPOBSA-N	219.053	-0.643	50	10	BBGE	
C#CC[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2212604059	LMKCJBFNIUDAHP-SECBINFHSA-N	218.065	-0.745	50	10	BBGE	
CCC1CN(c2cc(B(O)O)c(C)cn2)C1	2212604770	SMXYUXQFYFVNLB-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2212612448	IUYNNBGZWGTMOC-BDAKNGLRSA-N	222.053	-0.980	50	10	BBGE	
NCC1(Nc2cc(B(O)O)ccn2)CCC1	2212613381	VDPIETXBNDHNPB-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC=C(CO)CC1	2215772483	OIKWJADTKPSXLC-GHMZBOCLSA-N	239.319	-0.373	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2216251291	DRGRXJQXBIXWJX-ZNSHCXBVSA-N	241.335	-0.011	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1c1cc(B(O)O)ccn1	2217179844	BYTPCQXNFGPMAE-WPRPVWTQSA-N	236.080	-0.889	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@@H]2O)cc1B(O)O	2217182027	YDYXTCLAIJQLKY-SCZZXKLOSA-N	236.080	-0.747	50	10	BBGE	
C#C[C@@H]1CCN(c2nccc(B(O)O)c2F)C1	2217182850	DAMLEVOMMBUAHI-MRVPVSSYSA-N	234.039	-0.640	50	10	BBGE	
CC[C@@H](COc1cc(B(O)O)ccn1)N(C)C	2217194373	VGDXQDYGVXFDOP-JTQLQIEISA-N	238.096	-0.520	50	10	BBGE	
OB(O)c1ccnc(NCc2cncnc2)c1	2217198470	BQODCKXRSGICBL-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
Cc1nc[nH]c1CNc1ccc(B(O)O)cn1	2217199098	ANVMKVOHGARKAG-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C=C[C@H]1CN(Cc2cccc(B(O)O)c2)CCO1	2220065753	QXRPCGCYLAFSHK-ZDUSSCGKSA-N	247.103	-0.247	50	10	BBGE	
CCN1CC[C@H](OCc2ccc(B(O)O)cc2)C1	2222584495	RWKMZTBWCOZSLM-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCCNCC1	2223632150	GHFXWHUMAFXCOU-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@]23CCOC3)c1	2223636865	MXIPRUMJDOUKGD-JOYOIKCWSA-N	248.091	-0.400	50	10	BBGE	
Cc1cnc(N[C@@H](C)c2ncc[nH]2)cc1B(O)O	2223640518	LSRXNFWXECTTQV-QMMMGPOBSA-N	246.079	-0.034	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c1F	2223646120	GLKMXCLGNGFURF-IUKDSNFXSA-N	248.066	-0.033	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2CC[C@H]1O2	2223653709	UNSWPBFBWXFMHK-JMJZKYOTSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3CNC[C@@H]3C2)nc1	2223661579	KQGXVRUAUNYUME-DOFRTFSJSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(OC2C[C@@H]3CNC[C@H]3C2)c1	2223661610	GIXPFUBWGLXUIJ-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]1C1(O)CC1	2223665354	FTDIVMABOHZRST-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1Nc1cc(B(O)O)ccn1	2223675957	UUKWXEIPRXMRFQ-QWRGUYRKSA-N	249.123	-0.167	50	10	BBGE	
CN(OCc1ccccc1)C(=O)C#CB(O)O	2241478975	OTWSHRYPDFCCCK-UHFFFAOYSA-N	233.032	-0.408	50	10	BBGE	
C#CCOCc1nc(C(=O)NN)cs1	2241624898	UQZDFKLIJATUBO-UHFFFAOYSA-N	211.246	-0.104	50	10	BBGE	
C#CCOc1cc(B(O)O)c(Cl)cn1	2242392615	ZEEOGZOWGVFMNX-UHFFFAOYSA-N	211.413	-0.573	50	10	BBGE	
C=CC[C@H]1CCCCN1C(=O)C#CB(O)O	2243361723	GGPFANDHZRSZTO-JTQLQIEISA-N	221.065	-0.041	50	10	BBGE	
CC[S@@](=O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243373600	SIZLADRWYWJKNW-WLOPVIGXSA-N	247.125	-0.876	50	10	BBGE	
N=c1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)cc[nH]1	2243381813	JAAZHAVWPWKWLT-BQBZGAKWSA-N	221.025	-0.704	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382537	PJQUPUKBOBLOFT-XHNCKOQMSA-N	222.053	-0.389	50	10	BBGE	
CCOC1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243395732	BFHNUNIAQKWUTA-YUMQZZPRSA-N	227.069	-0.513	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2243400341	ZMKLSFLJWWJKQB-UHFFFAOYSA-N	220.037	-0.857	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2244317184	CNRYKPVQIYSOOF-OCKNEMTGSA-N	227.308	-0.542	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cccc(F)c1B(O)O	2247751793	CCEPKWOGTFGUBY-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
O=C(NCC1CC1)c1c(F)cccc1B(O)O	2247752006	GXKROLNTKKCYRX-UHFFFAOYSA-N	237.039	-0.355	50	10	BBGE	
CN(Cc1cccn1C)C(=O)C1(B(O)O)CC1	2247757057	VBZJBHJDTGDRNQ-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
O=C(N1CC[C@H](O)[C@H]2CC[C@H]21)C1(B(O)O)CC1	2247758476	ZKQJVUXWKSRERH-YIZRAAEISA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccc(F)cc1B(O)O	2247759323	OSXIUEZOMFYQTB-ZETCQYMHSA-N	237.039	-0.260	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C(C)(C)C	2247784397	UENGSUIXACEGBG-ZCFIWIBFSA-N	239.084	-0.746	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC12CCNCC2	2247789779	BGXWJLBMTGYMJD-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
CC1(C)C[C@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247796833	DFMDPBGAXACIBS-HLTSFMKQSA-N	240.112	-0.565	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C12CC(CO1)C2	2247798876	XZKTUKVCXWNKSR-BBCGNMDUSA-N	239.080	-0.467	50	10	BBGE	
CCc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)o1	2247803898	DPIJFVSMGJCAES-JGVFFNPUSA-N	238.052	-0.284	50	10	BBGE	
CC(C)(C)[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247804599	HWMDVMLBYSWGBT-DKCNOQQISA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247805773	CMGZEIGZONTBEO-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
COC1(OC)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808313	KPQQODKRWARKIL-HTQZYQBOSA-N	243.068	-0.929	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@H]2B(O)O)ncn1	2247809823	RMLSCFDSKZGCOG-NKWVEPMBSA-N	232.008	-0.850	50	10	BBGE	
NCCN(C(=O)C#CB(O)O)C1CCCCC1	2247842647	XZMPNUJIYSYWMB-UHFFFAOYSA-N	238.096	-0.878	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCCC#N	2247860324	VKYJLPIBPSJQEG-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCC[C@H]1O	2247879772	VRKLGRRSXUIDQS-RKDXNWHRSA-N	241.096	-0.245	50	10	BBGE	
Nc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2247900655	YSCUETMIPAANRC-NXEZZACHSA-N	234.064	-0.252	50	10	BBGE	
N#Cc1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2247900760	ZKHNTOXSZWBHGI-JGVFFNPUSA-N	231.020	-0.245	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1C(=O)C1CC(B(O)O)C1	2247904243	OZRWUGWLXMTKLL-DKEVHCRPSA-N	241.096	-0.531	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H](O)C[C@@H](F)C1	2247910418	OUUMUOXESFRWCB-GEPGNKONSA-N	245.059	-0.829	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(C(=O)O)CCC1	2248588761	HVGVSKHQSVUPJS-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1cocc1B(O)O	2249427866	AQRCEISGQHYDEY-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
CON(CC1CC1)c1nc(C)ncc1B(O)O	2251017533	ADPPNTZCUWXMTR-UHFFFAOYSA-N	237.068	-0.757	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@]3(O)C[C@@H]3C2)c1	2254102047	DWPUGHMLUKZNNY-DGCLKSJQSA-N	247.103	-0.677	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccncc1B(O)O	2255445212	SJCUCFVIMJAXDP-VIFPVBQESA-N	246.075	-0.849	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1ncccc1B(O)O	2255515746	BUVUZMDHKWLFRS-SECBINFHSA-N	246.075	-0.566	50	10	BBGE	
COCCc1ccccc1NC(=O)C#CB(O)O	2255674474	YOVREGROYIHLIB-UHFFFAOYSA-N	247.059	-0.171	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2C=CCC2)c1B(O)O	2255687472	HWEBQXVUMXDWCD-VIFPVBQESA-N	246.075	-0.482	50	10	BBGE	
C#CC[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2255741983	HRNSGIQSCDZNTB-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
N=c1ccc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)c[nH]1	2255797691	KFGQPXXZEMIRNN-DTORHVGOSA-N	249.079	-0.637	50	10	BBGE	
C=CC1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2261381985	VLAVQGFFQNUGDG-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
O=C1C[C@@H](C(F)F)CN1C(=O)[C@H]1C[C@H]1B(O)O	2298375481	LSSVCFXIBVYXTA-NGJCXOISSA-N	247.006	-0.511	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2298376673	IJCOMFXKWFJJNS-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)co1	2298533535	YSUVZASTGWDMMT-YEPSODPASA-N	235.048	-0.512	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300370791	NHKOXMPWOVYUJL-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@H](C)N	2303858749	PQDVEUGYUFZVND-IMTBSYHQSA-N	242.059	-0.595	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cc2C#N)COC1	2317150218	BWNASUVVJDLURX-UHFFFAOYSA-N	246.075	-0.314	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nnc3ccccn23)C1	2319665501	ZARQRYMABVIUJQ-SECBINFHSA-N	246.079	-0.222	50	10	BBGE	
O=C(CCCl)N1CCN(CCO)CC1	33382399	KGCSSLLXDGJOLH-UHFFFAOYSA-N	220.700	-0.248	50	10	BBGE	
OC/C=C/[C@H](O)[C@@H](O)CBr	38325455	YTMORFNIWVQAMT-ZELZYMQXSA-N	211.055	-0.348	50	10	BBGE	
COCCOC[C@H]1CC[C@H](C(=O)NN)O1	82463657	CQGMQSFTULGREG-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
CCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	82467060	KBYLHWHSEHCBOI-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CN1CCCOCC1)C(=O)NN	82469356	LKAWEQNVZHREGR-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
CC(C)N(CCO)CCCCC(=O)NN	82470813	VEELRTBUJZSBEZ-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CI	84844693	VSMMMYMCQQDRSK-UHFFFAOYSA-N	242.016	-0.411	50	10	BBGE	
NNC(=O)CCn1c(=O)cnc2ccccc21	113188693	GWOPBNIPFVRVBO-UHFFFAOYSA-N	232.243	-0.224	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COC[C@@]1(C)C(=O)O	149055631	DEXVYOXFMYHSLT-IMTBSYHQSA-N	231.252	-0.748	50	10	BBGE	
CN(C)NC(=O)c1cccn1CC(=O)O	149767494	JKLJQEKUOHQQNV-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
O=C(CCl)NC(=O)NCC(=O)N1CCCC1	161680519	OGEJFWRMMVMJSC-UHFFFAOYSA-N	247.682	-0.327	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCN(C)C(=O)C1	229088394	BRRWFMVQFTVDBZ-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
O=C1CC[C@@H](NS(=O)(=O)CCCl)CN1	232299677	IYMZZOUDGLELAC-ZCFIWIBFSA-N	240.712	-0.577	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@](C)(O)C1	235419635	BVTVZHPKXWKWND-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1CO	251590968	OHICKIUGYZNTEC-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C)[C@H](C)C(=O)NN)C1	252602069	MUZCTQWQQGUZBU-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@H]1C[C@H]1C	381433422	XIJGQNJAUVEHJT-CSMHCCOUSA-N	213.281	-0.227	50	10	BBGE	
CNC(=O)C1CN(C(=O)NC(=O)[C@H](C)Cl)C1	381925442	PLICGIWBTPCSLP-YFKPBYRVSA-N	247.682	-0.472	50	10	BBGE	
CCOC1CN([C@@H](C)CC(=O)NN)C1	383065312	OHQVYSCPWKILMA-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
N#Cc1cnn(Cc2occc2C(=O)NN)c1	383756687	FALZSGXUDCVVMR-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
CC1(C)CN(CC(=O)NN)[C@H]2COC[C@@H]21	384781902	LTCLKDDBELLCQK-YUMQZZPRSA-N	213.281	-0.667	50	10	BBGE	
C[S@@](=O)C1(CN2CC(=O)OC(=O)C2)CCC1	393807180	XXDGVKIZRGVZOJ-MRXNPFEDSA-N	245.300	-0.327	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnns1	400028255	PSQSAWFGNWBPDZ-BQBZGAKWSA-N	243.336	-0.016	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CCCOC1	404922433	WOGWMMGPBPRDDU-SECBINFHSA-N	249.075	-0.269	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CCN(C)C1=O	690211734	LKHOCJYLUHXBIG-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2Cc3ccccc3O2)n1	694272429	TVXYFERFAZHRIM-JTQLQIEISA-N	244.059	-0.433	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CN1c1nnc(CCl)o1	698135411	LAROELVLZYXLOS-NTSWFWBYSA-N	233.655	-0.260	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC(C)C1	698565795	VEMGVUQSFBHSDO-UHFFFAOYSA-N	235.092	-0.173	50	10	BBGE	
Cc1nc(CC(=O)NNC(N)=S)cs1	700869475	WMCPKZIBZPRFHE-UHFFFAOYSA-N	230.318	-0.142	50	10	BBGE	
C[C@@H](CC(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703468174	BTXQHGODJWYJAY-ACZMJKKPSA-N	226.232	-0.833	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@@H]2C[C@H]21	707083309	BIJMCPAZQLLACT-BXKDBHETSA-N	247.103	-0.031	50	10	BBGE	
COC[C@@H](ON)C(=O)NCC(Cl)Cl	710570943	BYMBDGBAFXZAKN-SCSAIBSYSA-N	231.079	-0.188	50	10	BBGE	
O=S(=O)(CCCl)NCC1OCCCO1	716340755	HDKIDMKOFWUHTR-UHFFFAOYSA-N	243.712	-0.092	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1	720837454	FAMMVQLITSWUGQ-INTQDDNPSA-N	236.080	-0.480	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2OCC[C@@H]2C1)C(=O)NN	724815402	DFIRRXZPANDSNE-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
OB(O)c1ccc(C2=N[C@H](C3CC3)N=C2)cc1	725541084	KZDKOSUPDDPBEX-GFCCVEGCSA-N	228.060	-0.024	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)[C@H]1COCCO1	744643560	WZPVKRTYXPNDHK-SSDOTTSWSA-N	241.247	-0.901	50	10	BBGE	
CN(NC(=O)[C@]1(C)C[C@@H](O)CN1C)C1CC1	911291005	BWMSXMXYQRAPMI-KOLCDFICSA-N	227.308	-0.433	50	10	BBGE	
C/C(=C/c1ccncc1)C(=O)NNC(=O)CO	1183078919	UGRSECUZXKAUSC-VURMDHGXSA-N	235.243	-0.375	50	10	BBGE	
OB(O)c1cscc1CN1CCO[C@@H]2C[C@@H]21	1231954008	ORGGDFVYWHXJKQ-VHSXEESVSA-N	239.105	-0.599	50	10	BBGE	
CCOC(=O)NNC(=O)C[C@H]1CCC(=O)NC1	1457488986	PZOURUKWUPLPSU-SSDOTTSWSA-N	243.263	-0.320	50	10	BBGE	
C#CCCCC(=O)NNC(=O)CCCC(N)=O	1558514792	SPJUNADSCHVWRA-UHFFFAOYSA-N	239.275	-0.407	50	10	BBGE	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)C(N)=O	1596555177	PASKLIANDXNUOU-PHDIDXHHSA-N	229.236	-0.773	50	10	BBGE	
CN(NC(=O)c1csc(CO)n1)C(N)=O	1636583618	MWJZJCDZXMTQDL-UHFFFAOYSA-N	230.249	-0.709	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1ccc(O)cn1	1638540348	FGHRLJUIEWNBEQ-UHFFFAOYSA-N	240.288	-0.132	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](O)[C@H](F)C1	1877520268	LYWNVIIXOGRBKJ-IYTQHBPKSA-N	221.615	-0.151	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@H]1C[C@H]1Br	1881354185	VBRVFUAUDQHKRY-DSYKOEDSSA-N	232.077	-0.120	50	10	BBGE	
O=C(O)[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1883634725	NTSMJULQFYDPLO-VAYJURFESA-N	207.613	-0.825	50	10	BBGE	
CC1(C)CO[C@@H](CNC(=O)NN)CO1	1884474348	OOKZNCXEBULRBP-LURJTMIESA-N	203.242	-0.647	50	10	BBGE	
C[C@@H](COCC(=O)NN)N1CCCC1	1886954721	HFQWNDHNLQVMLY-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]1C1CCOCC1	1897530741	KYMFZKMSBBMRSK-DTWKUNHWSA-N	227.069	-0.823	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1CCCCCl	1900166007	MWLSXHCEGXPPOG-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
O=C(NCCc1ncco1)[C@@H]1C[C@H]1B(O)O	1900934990	DMJUYABRMYTHER-RNFRBKRXSA-N	224.025	-0.804	50	10	BBGE	
C[C@@](O)(CO)[C@H]1CCN(C(=O)CCl)C1	1902215856	LBUWEELXVMOPIP-IONNQARKSA-N	221.684	-0.183	50	10	BBGE	
Cn1cnnc1CN1CC[C@](C)(B(O)O)C1	1902550931	NMWBJWMITAKGHP-VIFPVBQESA-N	224.073	-0.746	50	10	BBGE	
Cc1nccn1CCOC[C@@H]1C[C@H]1C(=O)NN	1908692443	BHVJPQYNEHXCFM-VHSXEESVSA-N	238.291	-0.166	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN=S2(=O)CCC2)O1	1913860822	FKBFOONFZPWJHN-JGVFFNPUSA-N	247.320	-0.604	50	10	BBGE	
CC[S@](C)(=O)=NC[C@@H](C)C(=O)NN	1913887585	DSFXWKBGKALHMT-UANNBLPKSA-N	207.299	-0.270	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@H](C)CC(=O)NN	1914256667	RKWISQXIXQLCKB-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1927910757	IZODRPXLSKWOQP-GJMOJQLCSA-N	211.265	-0.519	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@H]1CCCO1	1927915558	INVAPJOSYQZDKJ-DJLDLDEBSA-N	214.265	-0.192	50	10	BBGE	
Cc1cc(C)c(=O)n(CCC(=O)NN)c1	1928102786	QATACGKDIOMFEP-UHFFFAOYSA-N	209.249	-0.155	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC(C)(C)CO1	1929668209	NJJDTGSCMKQUCU-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2OCC[C@@H]2C1	1931682727	LWXVHBQRQBQUMO-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H](CN1CC(C(C)(C)O)C1)C(=O)NN	1932096917	VVNGYMFPHOQGFN-ZETCQYMHSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H]1COC[C@@H]1O	1933389376	MYEZIBXSERQPTQ-PRJMDXOYSA-N	221.684	-0.015	50	10	BBGE	
Cn1[nH]cnc1=NC[C@@H]1COC[C@@H]1Cl	1933393998	BWQMABSPBIVMQQ-RQJHMYQMSA-N	216.672	-0.097	50	10	BBGE	
C#CCN(CCCl)C(=O)Cn1cnnc1	1933494834	PUJVIJYPGWGQAY-UHFFFAOYSA-N	226.667	-0.021	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](OC)C1	1934917890	OTMAKMRTOADOMW-YIZRAAEISA-N	215.297	-0.136	50	10	BBGE	
CN(C)[C@H]1CN(CCn2cnnn2)C[C@H]1Cl	1936883064	RJDXNXAZNQNSOW-BDAKNGLRSA-N	244.730	-0.474	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC[C@@H]2CN(C)CCO2)C1	1937205244	TZCPMMNAUUUWMF-VWYCJHECSA-N	247.770	-0.172	50	10	BBGE	
Cc1coc(CC(=O)NNCCO)c1C(=O)O	1944216020	PZBHUMCJLZWMBH-UHFFFAOYSA-N	242.231	-0.558	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1946083665	LHDVUARZPAPIGA-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](CB(O)O)C(=O)O	1951320406	KERNTFHXSQCELX-RXMQYKEDSA-N	233.029	-0.563	50	10	BBGE	
O=C(CBr)[C@@H]1[C@@H]2NCCO[C@H]21	1953233489	UIQYTKUBDGHEPQ-VQVTYTSYSA-N	220.066	-0.063	50	10	BBGE	
CNC(=O)CCN(C)C[C@H](O)CCl	1954820087	BMEVEYOYOHTCNU-SSDOTTSWSA-N	208.689	-0.346	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12COC[C@H]1C2(F)F	1959175459	ZDNKIVATJLEUOA-AWFVSMACSA-N	237.231	-0.868	50	10	BBGE	
C[C@H](CCl)CN1CCN(CC(N)=O)CC1	1960156062	NWUIXRNZBCKZBY-SECBINFHSA-N	233.743	-0.036	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@H]2CC[C@H]1O2	1960796123	BAKGGTXKJXZHDW-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
CN(C)C[C@@H]1CN(C[C@H](O)CCl)CCO1	1961283271	NZIRCSGSQASFLL-NXEZZACHSA-N	236.743	-0.152	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21	1961815377	OAADZJLMVBSYRM-GWVFRZDISA-N	209.249	-0.863	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)CCCC1(F)F	1979988147	MHVOWWODCGNENX-QMMMGPOBSA-N	235.234	-0.082	50	10	BBGE	
O=C1NC(=O)N2CCN(C(=O)OCCl)C[C@H]12	1981053246	GRIHHVSDTWVJCM-RXMQYKEDSA-N	247.638	-0.445	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1c1ncncc1B(O)O	1981414592	UCCROOPKILTOPP-OCAPTIKFSA-N	221.069	-0.466	50	10	BBGE	
CSC[C@@H](C)N(C)c1ncncc1B(O)O	1981417099	WZVZUFNIMSLOBF-SSDOTTSWSA-N	241.125	-0.656	50	10	BBGE	
C[C@@H](Oc1ncncc1B(O)O)C1CCC1	1981424089	NWPYAJXLXMXMIF-SSDOTTSWSA-N	222.053	-0.276	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@H]1F	1987226747	ZAVSLHRUJOKIAM-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@](C)(C#N)C1	1990773923	BMGNQAMUGVRAOG-JTQLQIEISA-N	224.264	-0.611	50	10	BBGE	
NNC(=O)CCCN(CC(F)F)C1COC1	1991227197	FKUKRLPUXKRBCJ-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
CO[C@H]1CC[C@@H]1CC(=O)NCC=CB(O)O	1991332397	QWRDGQNLGKBMJA-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
COC(=O)[C@H](CNC[C@@H]1C[C@@H]1Cl)NC(C)=O	1991432019	IIAJVZBJHSTZAI-CIUDSAMLSA-N	248.710	-0.119	50	10	BBGE	
CN1C[C@H](C(=O)O)N(C[C@@H]2C[C@@H]2Cl)CC1=O	1991439687	UMBOIZWHHGSYLZ-BIIVOSGPSA-N	246.694	-0.159	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCC[C@@H]2F)nc1	1991722661	UWFUQYMJSMGIRV-YUMQZZPRSA-N	226.016	-0.574	50	10	BBGE	
NNC(=O)C(F)(F)CCN1[C@@H]2COC[C@H]1C2	1992319849	ANIPAVUXLVLYHJ-KNVOCYPGSA-N	235.234	-0.525	50	10	BBGE	
CCC[C@H]1CN(CCC(=O)NN)C[C@@H]1CO	1994827206	UTHQQQJPOFWNKC-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CC1CC(C(=O)Nc2ccc(B(O)O)cn2)C1	1996645124	GIGVFFIIFZKSSX-UHFFFAOYSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@]2(CCCOC2)C1	2002821557	AXWGRJUFOXOMLR-ONGXEEELSA-N	243.307	-0.754	50	10	BBGE	
CCC1(CC)CCN1c1ncc(B(O)O)cn1	2004912150	PGPQBKFLPBKKLR-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
CC1(C)CCCCN1c1ncc(B(O)O)cn1	2004917510	WVASNNBDJYFXJH-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
Cc1ccnc(N2CCCCCO2)c1B(O)O	2004917539	CMKBBCAWCIXQLN-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
COC[C@@H](C)Oc1nc(C)nc(C)c1B(O)O	2004934366	QOBPTPXNGKWLGC-ZCFIWIBFSA-N	240.068	-0.813	50	10	BBGE	
NNC(=O)NC1CCN(C2CCOCC2)CC1	2005218801	WEKRLXXELPJOEZ-UHFFFAOYSA-N	242.323	-0.197	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](F)(COC)C1	2009643455	ZNBAFCMFUIFNMJ-WPRPVWTQSA-N	249.286	-0.948	50	10	BBGE	
C[C@H](CN1CCCC[C@H]1C1(O)CC1)C(=O)NN	2013933867	ROXDXAFIWBIBKH-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC(C)(C)F)n1	2017069642	PGUFLBBJHBRMCT-UHFFFAOYSA-N	242.059	-0.100	50	10	BBGE	
Cc1oncc1C(=O)N[C@H]1CCC=C1B(O)O	2020058434	YTBRKEWURCTMOJ-VIFPVBQESA-N	236.036	-0.186	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12	2020061881	LTFGUAPLZBCMME-OEZYJKACSA-N	237.064	-0.906	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cccnc1	2020068591	SVNIJESGNHWKOV-JTQLQIEISA-N	232.048	-0.088	50	10	BBGE	
NNC(=O)c1cccc(CN2CCO[C@@H]3C[C@H]32)n1	2051853709	LGHJGXWSXYBAMU-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
COc1cc(C#N)c(B(O)O)cc1Cl	2060103610	XTHSWMPOFKZVCM-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
C[C@]12CC[C@@]1(C)CN(c1ncc(B(O)O)cn1)C2	2060855968	MPZCKKKUGQYDHH-TXEJJXNPSA-N	247.107	-0.217	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	2079008385	IWOLVVBRLWFIPE-GDGBQDQQSA-N	247.103	-0.002	50	10	BBGE	
OB(O)c1ccc(CN2[C@H]3COC[C@H]2C3)s1	2211073037	VAODQHJNEGAEHQ-HTQZYQBOSA-N	239.105	-0.599	50	10	BBGE	
COC[C@@H](C)COCc1nscc1B(O)O	2211135267	HEFLOWDGJKXTLU-SSDOTTSWSA-N	245.109	-0.378	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1[C@H]2COC[C@H]1C2	2211838311	FXPFGHLRNODLKQ-KYXWUPHJSA-N	225.292	-0.524	50	10	BBGE	
CNC(=O)CCSC[C@H]1CC[C@@H]1C(=O)NN	2211839552	WDRBAVZTVHBIBK-SFYZADRCSA-N	245.348	-0.128	50	10	BBGE	
OB(O)c1cnn(CC2(F)CCOCC2)c1	2212153901	QIGQCLUTYDBEKC-UHFFFAOYSA-N	228.032	-0.918	50	10	BBGE	
CCS(=O)(=O)N(C)CC1(C(=O)NN)CCC1	2212248318	WCMPLLNLQSJBIE-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
NNC(=O)C1(CSCCCO)CCOCC1	2212444470	JSLJAQCMCDACDE-UHFFFAOYSA-N	248.348	-0.111	50	10	BBGE	
C=CCN=c1ccc(B(O)O)c(C(F)(F)F)[nH]1	2217178679	AFZMEDCLAWNSOG-UHFFFAOYSA-N	245.997	-0.200	50	10	BBGE	
CC(C)(C)[C@H](N)COc1cc(B(O)O)ccn1	2217187730	DAFTYVVAXSMFRQ-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccc(NCC23CC(CO2)C3)nc1	2217196743	IEKZLNPZGSNOEX-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)O1	2217198521	CBDNCXXXEXRJIZ-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
Cn1nccc1CNc1cc(B(O)O)ccn1	2217202663	YLRQIXLKCIRPBF-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OCC1(CNc2ncccc2B(O)O)CCC1	2217203714	ZJBWGNHHVZDYPL-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)C[C@H]1CN	2223631901	CFAIMZBENHTFMD-NXEZZACHSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1cccnc1NCCN1C[C@@H]2C[C@H]2C1	2223648326	JYQKETZQDQZTSL-UWVGGRQHSA-N	247.107	-0.875	50	10	BBGE	
Cc1cnc(NC2CC3(COC3)C2)cc1B(O)O	2223649809	DIVBGFBZCPXMCZ-UHFFFAOYSA-N	248.091	-0.339	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@@H]3C2)cc1B(O)O	2223652856	MJZQIZTZRFTIOZ-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
CCN1CC[C@H](N(C)c2cc(B(O)O)ccn2)C1	2223669657	MKYQDVWSZLDRPL-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
C[C@H](O)CN(C)S(=O)(=O)N1CC(Cl)C1	2241338586	OPWPUFQCLDDMBO-LURJTMIESA-N	242.728	-0.533	50	10	BBGE	
CP(C)(=O)C1CN(CCC(=O)NN)C1	2241809363	VRFVTJMJAUMACR-UHFFFAOYSA-N	219.225	-0.327	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NC#N)cc1Cl	2243347817	QNHQGVLCLJTZQM-UHFFFAOYSA-N	238.439	-0.461	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@H]21)C1(B(O)O)CC1	2243359609	UXIODSJBRMKRGJ-BWZBUEFSSA-N	225.053	-0.856	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)C#CB(O)O)C1	2243361802	HKMGZEBRYVWJNH-SNVBAGLBSA-N	225.053	-0.971	50	10	BBGE	
C/C=C/CNC(=O)c1ncccc1B(O)O	2243375159	PMMUPLSFPFAOMY-NSCUHMNNSA-N	220.037	-0.933	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(F)CC1C2	2243396168	IOGUFUCHXVMLET-WXFYJTIXSA-N	227.044	-0.048	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CC[C@@H](C2)C1	2243400877	JBYHWACCARTMRG-ZJUUUORDSA-N	221.065	-0.350	50	10	BBGE	
CN(CCCF)C(=O)c1ccoc1B(O)O	2243404910	WNWLGSKOXMHYIX-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1csnc1B(O)O	2243411821	APZSSQRTUKEOFY-IYSWYEEDSA-N	240.093	-0.697	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243412280	JRCLQZGSXHTJQX-ZETCQYMHSA-N	221.021	-0.981	50	10	BBGE	
O=C(N[C@@]12COC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2243426135	FIEMRYXLIDKUQS-DQUBFYRCSA-N	225.053	-0.856	50	10	BBGE	
C[C@H](O)CN(C)c1cc(B(O)O)c(Cl)cn1	2245913724	XDBKHRRWJFUXGF-LURJTMIESA-N	244.487	-0.768	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2(B(O)O)CCC2)[C@H]1C	2247733114	MKSOLUGLFXQYAR-XHNCKOQMSA-N	241.096	-0.077	50	10	BBGE	
COc1ccc(N)c(NC(=O)C#CB(O)O)c1	2247738161	NQUANRZWZVDBJW-UHFFFAOYSA-N	234.020	-0.769	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@@H]12)C1(B(O)O)CC1	2247753773	CLBJEUAUBFMEPD-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
Nc1ccc(CNC(=O)C2(B(O)O)CC2)cc1	2247756422	LZDDEKURMAELFA-UHFFFAOYSA-N	234.064	-0.108	50	10	BBGE	
CCN(OC)C(=O)c1cc(C)ccc1B(O)O	2247760878	PGLRFEMITSOXPD-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H]2C)cc1B(O)O	2247761325	STLIDGAYLGXREF-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247798474	UMNGSUHNTCCBKZ-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1C(=O)C1CC(B(O)O)C1	2247800024	KMPCCLXRTIFHRK-AUXWQGHOSA-N	240.112	-0.422	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247804167	FMZLRKREZDJBKA-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
COCCN(CCF)C(=O)C1CC(B(O)O)C1	2247805376	KAVDLNCYMZTNTF-UHFFFAOYSA-N	247.075	-0.316	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCC(O)CC1	2247806068	DBLOZUQFCAAUQU-QMFGVRBNSA-N	241.096	-0.341	50	10	BBGE	
CC(C)[C@]12CC[C@@H](NC(=O)C#CB(O)O)[C@H]1C2	2247846911	OKIHYOUKMFKPLR-CKYFFXLPSA-N	235.092	-0.057	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCC2=O)c1	2247853248	IMNGWIGEWSARRC-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)C1(B(O)O)CC1	2247871763	HKACDCREGKVBFE-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247877114	CBAGNEYELOZHFQ-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
CC[C@H](C)CN(C)C(=O)c1n[nH]cc1B(O)O	2247885373	KSVDRNUXQFBUBH-ZETCQYMHSA-N	239.084	-0.792	50	10	BBGE	
COCOCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900141	UGVFFGKQIMLXOH-KYZUINATSA-N	245.084	-0.634	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1C(=O)O)[C@H]1C[C@@H]1B(O)O	2248589417	PVKAOUPFISJKPK-NGJRWZKOSA-N	241.052	-0.924	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2249432959	FVEBGYBUOUIQBS-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CC[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)NCB(O)O)C1	2251305358	ZFDJFWYUHPQQGW-RNJXMRFFSA-N	243.068	-0.748	50	10	BBGE	
O=C(N[C@H]1CC12CCCC2)c1cc(B(O)O)c[nH]1	2255463997	QAJPDMPRMRRJQE-JTQLQIEISA-N	248.091	-0.243	50	10	BBGE	
CC1(C)CC(NC(=O)c2cncc(B(O)O)c2)C1	2255528846	DBODJYIJJNGWSJ-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
C#CCCCCCNC(=O)c1n[nH]cc1B(O)O	2255546332	CYCINIOLTHXLTQ-UHFFFAOYSA-N	249.079	-0.987	50	10	BBGE	
Cc1cc(C(=O)N2CCOC2)cc(C)c1B(O)O	2255556341	NYQLAVRHCBEBOO-UHFFFAOYSA-N	249.075	-0.587	50	10	BBGE	
C=C1CON(C(=O)c2nccc(C)c2B(O)O)C1	2255576055	ZQRAGVHBAHPDAE-UHFFFAOYSA-N	248.047	-0.987	50	10	BBGE	
CC=C=CCCNC(=O)c1ncc(B(O)O)cn1	2255591949	BKSMCEHLDXZISC-UHFFFAOYSA-N	247.063	-0.993	50	10	BBGE	
Cc1[nH]nc(NC(=O)c2ccc(B(O)O)o2)c1C	2255672348	FSAVZIIFOXHGNZ-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@@H]2C1	2255686445	RHYBJEXOOGPSMV-RKDXNWHRSA-N	248.091	-0.813	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc(B(O)O)n[nH]1	2255689982	SYEZWNNTXKGWTR-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
Cc1ccc(NC(=O)c2nc[nH]n2)c(B(O)O)c1	2256601299	POLXOROCTKNJEV-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1cc(B(O)O)c[nH]1	2257039926	AZDGZJRRSUWJBT-CBAPKCEASA-N	248.091	-0.435	50	10	BBGE	
Cc1nn(C)c(C)c1C(=O)NCCC#CB(O)O	2258958174	FGCNNQLWAPEPKL-UHFFFAOYSA-N	249.079	-0.828	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)c[nH]2)CC(C)C1	2259907584	JKEVGDKRGPJCNC-UHFFFAOYSA-N	246.075	-0.774	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2CCN[C@H]2C1	2298368850	AHJKKCDFNWZAKL-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371269	FXYDQTFESMGMRN-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@H](C1=O)C2(F)F	2298376262	PEEDJWNELPTAEQ-JGWLITMVSA-N	244.990	-0.901	50	10	BBGE	
O=C(O)C[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2299257313	ISYUDZKORIIVDV-DKXJUACHSA-N	241.052	-0.924	50	10	BBGE	
N#CCN(CC#N)CCC[C@@H]1C[C@@H]1C(=O)NN	2300397976	WRGBLRFLHTWCBY-ZJUUUORDSA-N	235.291	-0.258	50	10	BBGE	
Cc1cnc(N(CCF)CCF)cc1B(O)O	2301728186	QVSAQKRVPHBRHN-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1[C@@H]2C=CC[C@H]1CC2	2312849579	GFTIGXGMVMRJDI-SFYZADRCSA-N	247.063	-0.977	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@](C)(B(O)O)C2)nn1	2319675271	SXHALUZYPKFKBR-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
C[C@@H](CCl)C(=O)N(CCO)CCO	54714942	FHBBCLCGGHLUAU-ZETCQYMHSA-N	209.673	-0.326	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1NC(=O)COCC(=O)NN	58839012	YHYYECIVCJXGKH-BDAKNGLRSA-N	243.307	-0.312	50	10	BBGE	
Cc1nn(C(=O)N[C@H](C)[C@@H](C)Cl)c(=O)n1N	82311334	YFZJCYNLJKMFBG-RFZPGFLSSA-N	247.686	-0.359	50	10	BBGE	
CCN(CC(=O)NC(C)C)[C@H](C)C(=O)NN	82470141	BARFUGHEIZHOHU-MRVPVSSYSA-N	230.312	-0.789	50	10	BBGE	
CCn1c(S[C@H](C)C(=O)NN)n[nH]c1=O	82472674	LSLBBPFCWNAGFE-SCSAIBSYSA-N	231.281	-0.938	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN(C)CC1	86313294	VMWQONBHGQILQA-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CC(C)[C@@H](SC[C@H](O)CO)C(=O)NN	86661910	ORPMQKCAIJUESE-RNFRBKRXSA-N	222.310	-0.913	50	10	BBGE	
COCCN(CCOC)[C@H](C(=O)NN)C(C)C	110594651	QJZZXYCRMAJONV-JTQLQIEISA-N	247.339	-0.404	50	10	BBGE	
COCCN(CCOC)[C@@H](C(=O)NN)C(C)C	110594654	QJZZXYCRMAJONV-SNVBAGLBSA-N	247.339	-0.404	50	10	BBGE	
N#C[C@@H](Cl)CN1CCS(=O)(=O)CC1	132468545	BERDRFSUOYEIME-SSDOTTSWSA-N	222.697	-0.152	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCCC[C@@H]1O	158244777	VSAARDLIUGAJLT-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(O)CCCC1	167222239	DGWIUCMGKXEZRB-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
O=C(O)CCCc1cccc(B(O)O)c1	202040357	MINSMJVQOYGZIK-UHFFFAOYSA-N	208.022	-0.226	50	10	BBGE	
COc1cccc2c1cc(B(O)O)n2C	203808140	SUAZCNGZKRGJEH-UHFFFAOYSA-N	205.022	-0.133	50	10	BBGE	
OB(O)c1ccccc1COC1COC1	218892221	ZTDBKGVVJQANHB-UHFFFAOYSA-N	208.022	-0.718	50	10	BBGE	
C[C@@H](NS(=O)(=O)Cc1ccccc1)B(O)O	220160910	OMTNVCBRMSILLH-MRVPVSSYSA-N	243.093	-0.494	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](N(C)C)C1	223094007	RRZRWGBOHPELEF-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
COC(=O)N[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	228340348	SSTSQCKXAINDTL-HTQZYQBOSA-N	244.295	-0.957	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)C[C@H](C)N1C	228858262	GYZXPHWYTRNZPX-XHNCKOQMSA-N	214.313	-0.611	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC[C@@H]1C	230357316	NRORNTSMTNTJEY-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CCN([C@@H](C)COC)[C@@H](COC)C(=O)NN	232419585	WYXKRHICHSYRMV-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CCOCCN(CC)[C@H](COC)C(=O)NN	232420233	RNSIBZNBFMUFRR-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
O=C(CCCl)Oc1c[nH]c(=O)[nH]c1=O	238546663	PLBXXQYVPVEFGU-UHFFFAOYSA-N	218.596	-0.403	50	10	BBGE	
OB(O)c1cnc2ncccc2c1Cl	238656698	QCXXKTFRWFQBKY-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)CCN1C	251627497	FHLPEZIYWOIXKR-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C[C@H](N)c1ccc2[nH]cnc2c1	259016132	PBHHRJSGXPHPMQ-ZETCQYMHSA-N	219.248	-0.057	50	10	BBGE	
NC[C@@H]1CCN(Cc2ncccc2C(=O)NN)C1	305947786	MNHGNABNWDYEDJ-VIFPVBQESA-N	249.318	-0.534	50	10	BBGE	
OB(O)c1ccc(F)c(-c2cncnc2)c1	309225730	BLJYPPKIGLAXRZ-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
C[C@@H]1C[C@@H]1CNNC(=O)[C@@H]1COCCN1	309489845	ICCGYBQCHYQSGU-HLTSFMKQSA-N	213.281	-0.748	50	10	BBGE	
Cl[C@@H]1COC[C@H]1Nc1ccc2nnnn2n1	323157194	HLXMFJOJSXFXGL-PHDIDXHHSA-N	240.654	-0.063	50	10	BBGE	
COC(=O)CCO[C@H]1CNNC(=O)[C@H]1Cl	379871092	QNLWZUXYCKNVRB-FSPLSTOPSA-N	236.655	-0.824	50	10	BBGE	
Cn1cc([C@H]2CCCN2CCC(=O)NN)cn1	380119857	BIGUVXBJDNOCFR-SNVBAGLBSA-N	237.307	-0.063	50	10	BBGE	
COC(=O)/C(C#N)=C1\NCC[C@@H]1C(=O)OC	390235302	KEDQRLMVYFTJFO-WXIAHEHCSA-N	224.216	-0.280	50	10	BBGE	
NNC(=O)c1coc(CSc2nc[nH]n2)n1	395396165	ZLXOAOZGKIIHNY-UHFFFAOYSA-N	240.248	-0.312	50	10	BBGE	
CCN(CC(N)=O)[C@H](C(=O)NN)C(C)(C)C	395806552	IVBPDDCFPBIFCI-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1CC#N	396137170	KILBJEAVXGTIJP-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@@H](C)C(=O)NN)C1	401696986	KMCXRKQTSQSJAB-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
CN(C)C[C@@H]1CCCN(CCC(=O)NN)C1	405103435	FMUNFLRGENPZKG-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
O[C@@H]1C[C@H]2CN(CCOCCCl)CCN2C1	405205121	FRSPSZCMOIULHT-WDEREUQCSA-N	248.754	-0.007	50	10	BBGE	
CCCC[S@@](=O)CC(=O)NNC(C)=O	526868785	XFLUHHQIOIKOMT-CQSZACIVSA-N	220.294	-0.298	50	10	BBGE	
N#CCc1ccc(Cn2ccc(B(O)O)n2)cc1	694230542	WFHBHJHRIIHCSS-UHFFFAOYSA-N	241.059	-0.323	50	10	BBGE	
C[C@@H](NC(=O)CCCCl)[C@@H](O)CO	698872640	MDIXPNNWGWVODJ-RQJHMYQMSA-N	209.673	-0.137	50	10	BBGE	
COc1ccc(Cn2ccnn2)cc1B(O)O	699050102	NTTMAJGCDQLKIL-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(CO)cc1	700841113	LKUMCLAADICTJY-UHFFFAOYSA-N	209.205	-0.508	50	10	BBGE	
COCCOCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703451855	IQRUFOZQAXFNCY-IUCAKERBSA-N	243.259	-0.434	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C(F)F)C1	707180475	VKDYGXUUBRJLBU-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
NNC(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1	711844753	UVLBEIONLSJEAN-IUCAKERBSA-N	241.291	-0.702	50	10	BBGE	
CN(C)C[C@@H](CCl)NCCn1cnnn1	712537433	DFHMVMXSQNQIJX-MRVPVSSYSA-N	232.719	-0.568	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(N)=O)C[C@@H](C)O1	724389697	JZASLDWBOBPJQB-KVSKUHBBSA-N	215.253	-0.111	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCNC1=O	725699458	NYZGTMVUBHCOKT-CRCLSJGQSA-N	233.655	-0.672	50	10	BBGE	
CCOCCC(=O)NNC(=O)[C@H]1CCCO1	817214400	OKFHAOQYDVMLKQ-MRVPVSSYSA-N	230.264	-0.261	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@H]2CCCO2)CCC1	817215173	IINZVOYURBRKRN-MRVPVSSYSA-N	242.275	-0.118	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCO[C@H]2C)n1C	856047546	VZBXQTFQLKSSKD-POYBYMJQSA-N	239.279	-0.008	50	10	BBGE	
C=C[C@H](NNC(=O)c1cnsn1)C(=O)OC	905820778	HFAAKMSGCDEYEX-YFKPBYRVSA-N	242.260	-0.500	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1cccc(C#N)c1	1293055338	GAOGRIYMTAYIGR-JTQLQIEISA-N	245.238	-0.134	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NNC(=O)C(C)(C)C	1544260569	JKFUNOADXZKUCA-ZCFIWIBFSA-N	229.280	-0.309	50	10	BBGE	
CCO/C=C/C(=O)NN(C)C[C@H](C)O	1642192810	NGSXGZMVZGLONX-GJIOHYHPSA-N	202.254	-0.120	50	10	BBGE	
NC(=O)C1(O)CN(C[C@@H]2C[C@@H]2Br)C1	1877485606	NDJDCQYVZHSJGB-WDSKDSINSA-N	249.108	-0.698	50	10	BBGE	
O=C(O)CN(CCO)C[C@H]1C[C@@H]1Cl	1883550356	DZNAAWHHUKHIJO-RQJHMYQMSA-N	207.657	-0.007	50	10	BBGE	
CO[C@H](C)COC[C@@H]1C[C@@H]1C(=O)NN	1886077694	YBDCGXONIWCWDG-CSMHCCOUSA-N	202.254	-0.336	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1C[C@H]1C[C@H]1Cl	1897143954	GTEPXTPTRLTWIQ-GOFVFXDOSA-N	249.694	-0.506	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	1900031991	BZIXAJRINSIPGD-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CCOC2)C1	1902511328	HBDVGLDEGQERTC-WCBMZHEXSA-N	227.069	-0.512	50	10	BBGE	
CCN(CCOC)Cc1nc(B(O)O)cs1	1902637764	QDUUXLLXUUOLLF-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H]2CCC[C@@H]21	1909983528	NFUKPZOEWQKKHJ-VHSXEESVSA-N	241.291	-0.593	50	10	BBGE	
CCC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1CO	1911478300	BNKBKOGSIKOJLL-MXWKQRLJSA-N	243.351	-0.047	50	10	BBGE	
CN([C@@H](C(=O)NN)C(C)(C)C)C(C)(C)C(N)=O	1915521928	CZKMKTRQFRMFFN-ZETCQYMHSA-N	244.339	-0.413	50	10	BBGE	
NNC(=O)C(=O)N1CC2(CCCCC2)C1	1915568340	NWTAEDMZZCRYPR-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)C1COC1	1915660921	SEPXMPDVDWCYSS-CBAPKCEASA-N	213.281	-0.667	50	10	BBGE	
CN(CCF)Cc1cc(C(=O)NN)no1	1917255212	MNRHEKKBKHUWRU-UHFFFAOYSA-N	216.216	-0.321	50	10	BBGE	
OB(O)c1cccc(OCCN2CC(F)C2)c1	1917262818	TUZAWCDEGXIVQQ-UHFFFAOYSA-N	239.055	-0.601	50	10	BBGE	
O=C1OCC[C@@H]1NNC(=O)C(F)(F)F	1923408150	VWHHUAATPSHPJV-VKHMYHEASA-N	212.127	-0.515	50	10	BBGE	
N=c1[nH]cncc1C(=O)NNC(=O)C(F)(F)F	1923828988	GGAQKCMFHIMEJN-UHFFFAOYSA-N	249.152	-0.788	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926422463	USOXDEFBMKLRBM-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CNC(=O)CCSC[C@@H]1C[C@H]1C(=O)NN	1927917075	INPBVTOCTBXONV-NKWVEPMBSA-N	231.321	-0.518	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1[C@@H](C)C(=O)NN	1928067812	AOQQBTWWFYWRBM-BYPYZUCNSA-N	213.197	-0.349	50	10	BBGE	
CN(C)[C@@H]1CN(CCOCCCl)C[C@H]1O	1928376011	CCQCEEPOPYTBIM-NXEZZACHSA-N	236.743	-0.152	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1COC[C@H]1CO	1928736308	UERWNLPGKSFXLA-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
Cc1nc(C[C@@H](Cl)C(N)=O)nn1C	1929102892	ZDNZACYLGWVBSK-RXMQYKEDSA-N	202.645	-0.241	50	10	BBGE	
COCC1(CC(=O)NNCCO)CC1	1929833095	DAMGNSNQNBEOPS-UHFFFAOYSA-N	202.254	-0.584	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C)CC(=O)NN)C1	1930891049	XSNHPJQJKSYPCI-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
COC[C@]1(O)CCN(S(=O)(=O)CCl)C1	1931627177	DCRSDQZUMSPMIB-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
C[C@H](CN1C[C@H](O)CC1(C)C)C(=O)NN	1934006116	YEISFEFHIQRKBA-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(C)C[C@@H]1CO	1938235007	FTHWMJHSKPHAPP-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)C1(C)C	1938473142	JVNDHYSOEPGMCD-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN1C[C@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@H]2C1	1941085426	LVIWCCWUEAUMAC-XWLWVQCSSA-N	238.335	-0.894	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@@H]1CCO	1941088786	RXKGUGJQYHKFDU-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1CC[C@@H]2O	1941290807	LBFRQXNYASAMMV-ILAIQSSSSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1CCOCC(=O)NN	1941773040	RJPMASOTYLWGMB-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
COCC[C@@H]1CN(C[C@H](C)C(=O)NN)CCO1	1943667961	DEGXVBLARIXHDM-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)[C@H]1CCS1(=O)=O	1955093734	AZJACJGSLZZAKP-RRKCRQDMSA-N	237.708	-0.083	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@H]2C[C@H]21	1960964261	JSBVDOVOEKUSAC-HRDYMLBCSA-N	212.297	-0.857	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@@H]32)nc1	1961678074	KVQXGWPXTRMSNH-CBAPKCEASA-N	204.038	-0.640	50	10	BBGE	
OB(O)c1ccc(OCCC2COC2)cc1	1968603778	HBLYUEIHSSSBJV-UHFFFAOYSA-N	222.049	-0.218	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N1CCC(B(O)O)CC1	1971371972	AYVYWYICKIUZEF-WCBMZHEXSA-N	241.096	-0.123	50	10	BBGE	
COCC[C@@H](COC)N(C)[C@H](C)C(=O)NN	1979244156	RSGHBTDUNCQZSJ-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
COc1cc(C(=O)NNC(N)=S)cc(C)n1	1979546041	RWLBDOJNJLUASY-UHFFFAOYSA-N	240.288	-0.123	50	10	BBGE	
C[C@]1(Oc2ccncc2B(O)O)CCOC1	1981429465	DUCUWTPDNYIYIK-JTQLQIEISA-N	223.037	-0.681	50	10	BBGE	
Cc1cn(-c2ncccc2B(O)O)c(C)n1	1981466197	VDTHDGUDQVGOHM-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2C[C@H]2C)c1B(O)O	1981531018	SPLVBBJZNVDSHE-HTRCEHHLSA-N	221.069	-0.691	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC[C@@H](O)C1	1984127590	AZPSZZDJNHIRND-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H](CCO)N(C)CCC(F)(F)C(=O)NN	1984129333	BWGJMDOZIWNORT-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@H]1CCN1C	1987092906	QBLVTKNITHRXGW-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@]1(C)CC(=O)N1CCOCC(=O)NN	1989115284	KHEMVQHVBVCBHI-JTQLQIEISA-N	229.280	-0.606	50	10	BBGE	
C[C@H](O[C@H]1C2CCN(CC2)[C@@H]1C)C(=O)NN	1992113534	LKEWAJZFXZTVMD-KHQFGBGNSA-N	227.308	-0.136	50	10	BBGE	
C=C(Cn1cc(CC)c(O)nc1=O)B(O)O	1992159166	HDTZUFYSQQTELU-UHFFFAOYSA-N	224.025	-0.921	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@]2(CO)C1	1992491145	UPHJPXLBEAYNCT-MWLCHTKSSA-N	227.308	-0.539	50	10	BBGE	
CCN(Cc1nc(C)no1)C[C@H](C)C(=O)NN	1997741083	WQWFMJQDEYFOTQ-ZETCQYMHSA-N	241.295	-0.174	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@@H]1N(C)C(=O)C(=O)NN	1998885997	UHWWGCSQUSPZGM-HRDYMLBCSA-N	243.307	-0.362	50	10	BBGE	
O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNCCO	2001926345	NPQAAYJTOMFFCI-MAUMQABQSA-N	242.275	-0.654	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](C(N)=O)CC12CC2	2002289949	IPCVVTFWSGPSCJ-YUMQZZPRSA-N	240.307	-0.905	50	10	BBGE	
Cc1nc([C@H]2CCCCN2CC(=O)NN)no1	2004034183	ZDNHAWGSEYTVFT-MRVPVSSYSA-N	239.279	-0.105	50	10	BBGE	
CC[C@@H]1CCN1c1nc(C)nc(C)c1B(O)O	2005016058	JVFMAOVXOZOZFS-SECBINFHSA-N	235.096	-0.238	50	10	BBGE	
CCOC1(CO)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2005154487	XKHLAOBCLKHRJP-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
COc1cc(OC)c(C(=O)NNC(N)=O)cn1	2008277517	XJLBHHJTMIIWLX-UHFFFAOYSA-N	240.219	-0.588	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2[C@H](CO)[C@@H]2C1	2010987451	HMGJJNFOUYYRGG-JGPRNRPPSA-N	241.335	-0.293	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C[C@H]1C[C@@H]1C(=O)NN	2012361871	JLFABRJTEQSUPQ-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1[C@@H](C)CC(=O)NN	2014046467	UYAHRUOSMMJVLQ-YUMQZZPRSA-N	244.295	-0.815	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2[C@@H](C)CC(=O)NN	2014230116	BUIHDKVRCGBBOM-GARJFASQSA-N	240.351	-0.078	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](O)C1(C)C	2020108081	ZUSHDHQZNNXBBY-SECBINFHSA-N	243.307	-0.611	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCOC[C@@H]1F	2020495665	CQEQJQWAXGSLQN-IUCAKERBSA-N	241.027	-0.733	50	10	BBGE	
CN(C[C@@H]1CC12CCOCC2)C(=O)C(=O)NN	2021194379	LEGJFMBKNJJLOD-QMMMGPOBSA-N	241.291	-0.749	50	10	BBGE	
Cc1cc(OCc2nncn2C)cc(B(O)O)c1	2049638463	PBMMOUDHWQWCAX-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCOc1c(OC)ccc([N+](=O)[O-])c1B(O)O	2060016679	DSZXBYWXYYYTQI-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1cc(C#N)cc(B(O)O)c1C	2060202973	RWVOAPXOHRTMDH-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
Cc1nc(OCC2(F)CC2)ncc1B(O)O	2211060476	WHRKGIURPOQBFL-UHFFFAOYSA-N	226.016	-0.654	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2211838710	KMPIAKBZPSIYQR-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](COc1cncc(B(O)O)c1)CN(C)C	2212987007	KYJUUGCDDGIEHD-VIFPVBQESA-N	238.096	-0.662	50	10	BBGE	
CO[C@H]1CC[C@H]1CN(C)CCOCC(=O)NN	2215008462	KTIGVJSTDLZQBA-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215770860	DZCJVOZOFYOGMM-NHCYSSNCSA-N	239.319	-0.375	50	10	BBGE	
CC(C)[C@H](CO)Nc1nccc(B(O)O)c1F	2217180643	IQGVSQDWCAANRO-QMMMGPOBSA-N	242.059	-0.671	50	10	BBGE	
CC(C)[C@H](N)CNc1nccc(B(O)O)c1F	2217182097	ZBBUOBGXTBQOKP-MRVPVSSYSA-N	241.075	-0.704	50	10	BBGE	
C[C@H]1C[C@H](Nc2nccc(B(O)O)c2F)CN1	2217182804	HBLBTBSSJMLJIU-BQBZGAKWSA-N	239.059	-0.937	50	10	BBGE	
C[C@@H]1[C@@H](Nc2nccc(B(O)O)c2F)C1(F)F	2217184553	QADOMLDKZJUQFT-CLZZGJSISA-N	245.997	-0.034	50	10	BBGE	
CC[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CO1	2217197156	KLKOWMCEKQPEIR-ZJUUUORDSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CNC3(CCC3)C2)c1	2223640918	NUSIXLISMPBYJN-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CC[C@H]2O3)cc1B(O)O	2223643671	YQOSOJBOCHOABI-FBIMIBRVSA-N	248.091	-0.198	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3OCC[C@@H]23)cc1B(O)O	2223651370	WPKVWGQDTSGXHT-JMJZKYOTSA-N	248.091	-0.341	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CC[C@@H]1CO	2241331528	LLOAOCDEFOAEIR-SSDOTTSWSA-N	240.712	-0.779	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)C1CC(B(O)O)C1	2241495157	HDRFACKLTBDGEW-KBGZMJGOSA-N	201.006	-0.534	50	10	BBGE	
CO[C@H](C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241496047	OUHZIVBDHFLEBX-VQVTYTSYSA-N	201.031	-1.000	50	10	BBGE	
CO[C@H](C)CSCCOCC(=O)NN	2241563869	HFHQMKQQSFHYMI-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccoc1B(O)O	2243349005	DBVPUFXTQPKJQI-ZETCQYMHSA-N	221.021	-0.758	50	10	BBGE	
O=C(Nc1cnoc1)c1ncsc1B(O)O	2243359171	PWTFXDFCBMSQAS-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CCNCC1	2243365618	PAJBINZCQPCDGU-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)sn1	2243378117	MUEVWLHJBFQWJT-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CO)CC1	2243381828	JGMQZKRMHVDXAJ-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COC[C@@H]21	2243397187	WZUCOAVMKHOEFQ-HXFLIBJXSA-N	225.053	-0.903	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)c1nccs1	2243400532	CUMJJSSANUIGIU-SSDOTTSWSA-N	238.077	-0.274	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)s1	2243403974	HAWAYSAEVYCKLO-NKWVEPMBSA-N	239.105	-0.044	50	10	BBGE	
C#CCNC(=O)c1ccc(B(O)O)cc1C	2243405011	YEEQOFQDFPQSNF-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1(C)CC1	2243408971	YLPXYHKPSPLHBU-UHFFFAOYSA-N	223.037	-0.450	50	10	BBGE	
O=C(N=S1(=O)CCOCC1)C1(B(O)O)CC1	2243410603	DZDHLHIKVHTNKD-UHFFFAOYSA-N	247.081	-0.982	50	10	BBGE	
C[C@H](CC[S@](C)=O)NC(=O)C1(B(O)O)CC1	2243410669	FWUFXDYDJIVJDY-QZTNRIJFSA-N	247.125	-0.733	50	10	BBGE	
CN(C)NC(=O)c1ccc(Cl)c(B(O)O)c1	2243412190	HYXDLCVJIBDRPF-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
O=C(N[C@]12COC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2243426137	FIEMRYXLIDKUQS-FDDDBJFASA-N	225.053	-0.856	50	10	BBGE	
C#CC(=O)N(C)Cc1scc(C)c1B(O)O	2243679067	SAEYFIQBVSNXBN-UHFFFAOYSA-N	237.089	-0.672	50	10	BBGE	
CCN(CC(=O)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243752107	FQHBXMTZVROCKB-KNVOCYPGSA-N	229.041	-0.828	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1csc(B(O)O)c1	2244149440	JFVQYDRFQMWLGF-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)[C@H]1C[C@H]1B(O)O	2244901837	LKHABDUVEKPPCF-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
C#CC1(NC(=O)C2CC(B(O)O)C2)CCC1	2244948488	GWQJMSMQOPJYAV-UHFFFAOYSA-N	221.065	-0.089	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccoc1B(O)O	2247741401	ZEGYHWJOVLNIGF-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
Cc1cc(C(=O)N2CCCO2)ccc1B(O)O	2247751775	BWQDCDAQDWGTGW-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
CC(=O)NC(=O)c1cc(B(O)O)cn1C(C)C	2247759084	NXUIRSSSJOIKIV-UHFFFAOYSA-N	238.052	-0.975	50	10	BBGE	
O=C(NCC1CCCC1)c1cc(B(O)O)n[nH]1	2247783235	BIYYHCUHTSIKMR-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC1(C)CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2247791206	LQZFCDJKOLABAN-DJLDLDEBSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791858	PGEDAKPTCKEJHC-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)CNC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247798937	YMDRUCZBHZHCPP-HACHORDNSA-N	240.112	-0.646	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247800502	PQMQKKJKAWTMQU-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
COc1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247805714	KRRXHISBKFCFBD-YUMQZZPRSA-N	236.036	-0.108	50	10	BBGE	
C[C@@H](N(C)C(=O)C1CC(B(O)O)C1)C(C)(C)O	2247807687	RPOBZDURCRLMFW-AFPNSQJFSA-N	243.112	-0.143	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCOCC1	2247807927	SHXJPIOYSXSGJV-FXBDTBDDSA-N	241.096	-0.219	50	10	BBGE	
COCC1=CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247808222	TZYKRKVLGFVMLM-NXEZZACHSA-N	239.080	-0.346	50	10	BBGE	
O=C(N[C@@]12CC[C@@H]1CNC2)[C@H]1C[C@H](B(O)O)C1	2247809686	QMCLWQTXRBAPKN-TURQNECASA-N	238.096	-0.892	50	10	BBGE	
O=C(Nc1ncccn1)c1ccoc1B(O)O	2247848830	QXYOEMVKDJZZDP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247852159	PMPOAFAMHRINAE-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
O=C(Nc1ccsc1)c1ncncc1B(O)O	2247853230	IHUYRTRPNGXLRX-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(N1CC[C@@H]2[C@@H](O)C[C@H]2C1)C1(B(O)O)CC1	2247854595	FNUFZNUZYRAJKA-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CCCNC2)C1	2247860226	UBSLHIVQLKJCAM-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1occc1B(O)O)C2	2247874333	LGGSXAAMWIGODI-WRWORJQWSA-N	235.048	-0.559	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccncc1B(O)O	2249303076	VDPPLFRFIBOPPQ-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
CC[C@@H](CNC(=O)c1cocc1B(O)O)OC	2249417933	MQLPJVOGKIFTLU-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(c1cocc1B(O)O)N1O[C@H]2C=C[C@H]1C2	2249418939	ARVNDPTWAJGKMA-BQBZGAKWSA-N	235.004	-0.956	50	10	BBGE	
C[C@@H](O)CN(CCC(C)(C)C)C(=O)C(=O)NN	2250622264	ROJQDGQFCLXLMP-MRVPVSSYSA-N	245.323	-0.378	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ccncc1B(O)O	2255450077	TUGHBGTVEQPROK-GFCCVEGCSA-N	246.075	-0.707	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255453984	UIUASSVKUYTZJK-CABZTGNLSA-N	249.075	-0.169	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ncc(B(O)O)cn2)C1	2255471057	NVKBAROUSSDPFW-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2255503099	JUDOWJOEJFAXBZ-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(F)c1B(O)O	2255507144	YIHGQSOLTQDVGN-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@@H]2CCC[C@H]21	2255515970	FHNMYFMFKDYSGE-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC12CCCC2	2255567681	DSGPVUWJBIMFOV-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255669539	PRGSGBRWZLPUHD-CUJWVEQBSA-N	248.091	-0.531	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC=CC[C@@H]21	2255679293	GCBCQACINMQQJU-KCJUWKMLSA-N	246.075	-0.515	50	10	BBGE	
O=C(N[C@H]1CCCC12CC2)c1c[nH]nc1B(O)O	2255792218	DCKWOBXPIQMTNS-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
CC#CCCNC(=O)c1cc(B(O)O)ccc1O	2256016088	CHULNGRWPDEXTH-UHFFFAOYSA-N	247.059	-0.785	50	10	BBGE	
OB(O)c1ccc2nccc(-n3cncn3)c2c1	2257584479	OXTGMSPPYJNNIH-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H]2CNC[C@H]21	2298369807	GCPZSLUMSYPLEY-SGIHWFKDSA-N	238.096	-0.940	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2CC[C@H]21)[C@@H]1C[C@H]1B(O)O	2298370190	RGEWFOLMHAAREX-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377350	NRIIVWIYYQUVGW-SGIHWFKDSA-N	240.112	-0.517	50	10	BBGE	
O=C(O)C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299282866	ISYUDZKORIIVDV-RULNZFCNSA-N	241.052	-0.924	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCc2nccn2CC1	2300202467	AARVJBRLCTXQKT-SECBINFHSA-N	237.307	-0.490	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C(=O)COC1=O	2300375678	WMHSPAYRONLEAQ-RQJHMYQMSA-N	241.247	-0.629	50	10	BBGE	
C#CC1(Oc2ccc(B(O)O)cc2C#N)CC1	2301338858	NJKGNAXYCJHYPJ-UHFFFAOYSA-N	227.028	-0.217	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)[C@H](C)CCCC(=O)NN	2302021553	BFWJFUDNAVHGCQ-BDAKNGLRSA-N	244.339	-0.269	50	10	BBGE	
CCN(C)C(=O)CCN1CC[C@](C)(B(O)O)C1	2303122392	DJFGFERTSYFAHI-NSHDSACASA-N	242.128	-0.206	50	10	BBGE	
COCc1cc(CN2CC[C@@H](B(O)O)C2)on1	2303159556	QSZBYXZIYXLMBO-MRVPVSSYSA-N	240.068	-0.130	50	10	BBGE	
CO[C@H]1COCCN(CCCCC(=O)NN)C1	2306799778	QRZRJELWTXJOKH-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@H]1O	2317163714	RFJMRGPJFMEMHX-VXGBXAGGSA-N	246.075	-0.437	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)[C@H](N)C(C)C	1605713	KWHMENNFWCIVBZ-HTQZYQBOSA-N	230.312	-0.900	50	10	BBGE	
N[C@H](CCC[C@@](N)(CCl)C(=O)O)C(=O)O	26264771	GAAZDRFRBSKQJW-SVGQVSJJSA-N	238.671	-0.411	50	10	BBGE	
NNC(=O)CCC(=O)N1CCCC[C@@H]1CCO	58838128	AWUBCKIMMRFFJM-SECBINFHSA-N	243.307	-0.480	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCSC1	82467264	IZOPHTZRJWIMKY-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
Cc1cc(C)n([C@H](C)C(=O)NN)c(=O)n1	82468333	IUGIIMHCLXSULC-SSDOTTSWSA-N	210.237	-0.589	50	10	BBGE	
CC[C@H](Sc1nc(C)n[nH]1)C(=O)NN	82473179	UOKFWVQOUCVUQY-YFKPBYRVSA-N	215.282	-0.026	50	10	BBGE	
CCCS(=O)(=O)N1CCOC[C@@H]1N=C=O	83877849	CAIVHQATVIJHTG-MRVPVSSYSA-N	234.277	-0.280	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCOCC1	86313525	OLOHPJUMLISUAD-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CCOC1	87788533	QCPZCEQSKJJKNO-RXMQYKEDSA-N	206.629	-0.160	50	10	BBGE	
NNC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1	88023268	YOFDQSMQMXEUBM-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOCC2=O)cc1	93226298	XIAMCQKIIDOYIX-UHFFFAOYSA-N	249.270	-0.351	50	10	BBGE	
C[C@@H](CO)N(C)CC(=O)NNc1ccccn1	123178698	HKOUFYLYFBJJOI-VIFPVBQESA-N	238.291	-0.163	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)C(C)(CO)CO	134263602	CIUXMEMANGEPKP-UHFFFAOYSA-N	246.307	-0.439	50	10	BBGE	
NC(=S)NNC(=O)c1cccc(O)c1O	163296037	PMUUWEFVUJJIBI-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
[C-]#[N+][C@@H](C)C(=O)N[C@H](C)C(=O)OCC#C	169603338	NWFSUCZDNRKZRA-JGVFFNPUSA-N	208.217	-0.025	50	10	BBGE	
OB(O)c1cc(Cl)nc(N2CCCCC2)n1	198083210	ONMZZDBKQHPPKT-UHFFFAOYSA-N	241.487	-0.200	50	10	BBGE	
Cc1cc(COc2cccc(B(O)O)c2)n(C)n1	203651313	PZROTXJDVZARHZ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@H](B(O)O)C1	211339883	RISVMOLYLYGSJZ-BQBZGAKWSA-N	206.072	-0.183	50	10	BBGE	
CN1C(=O)[C@@H](C=O)[C@@H](Cl)N(C)C1=O	217998567	UJOBPVZMXRSRHQ-WHFBIAKZSA-N	204.613	-0.110	50	10	BBGE	
CO[C@H]1CCCN(Cc2ccc(B(O)O)cc2)C1	230335588	RVJLJRQAGTZWKN-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCS[C@@H](C)C1	232420779	YAOJJMRVXWRZEV-YUMQZZPRSA-N	233.337	-0.571	50	10	BBGE	
CS[C@H]1CC[C@H](NC(=O)C(=O)NN)C1	235095006	WRGGXIVZRKNELK-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
O=CNNC(=O)c1ccccc1C(=O)O	238679782	RVKUNEOCEYMMSD-UHFFFAOYSA-N	208.173	-0.224	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H]1C(N)=O	251211043	MGTJBLMZEVJDTR-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@H](N(C)C)C1	251867571	SZWZZVNPTNHHQB-HBNTYKKESA-N	242.367	-0.117	50	10	BBGE	
C[C@@H](CN1CCC[C@](C)(O)C1)C(=O)NN	253069920	LZOZXMJUKLQRRQ-WPRPVWTQSA-N	215.297	-0.541	50	10	BBGE	
N#CC1=CC(C(=O)S)=NS1(=O)=O	260121033	KVEICBYGFPSQTB-UHFFFAOYSA-N	202.216	-0.365	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1CCO	304536069	JSUQYXZJAKLFGM-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[S@](=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	307613737	MGKATTWEKCXWTE-WOKAVZEJSA-N	231.726	-0.726	50	10	BBGE	
CC[C@H](N)C(=O)NNc1ncc(F)cn1	309802465	RLVZJJPHBBIATN-LURJTMIESA-N	213.216	-0.204	50	10	BBGE	
OB(O)c1ccccc1C#CCCC1OCCO1	310687117	PLNROZVAOKBUCM-UHFFFAOYSA-N	246.071	-0.129	50	10	BBGE	
CCC[C@]1(NC(=O)C(=O)NN)CCOC1	378769720	CGDWGXWPSDIMMY-VIFPVBQESA-N	215.253	-0.948	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)C1(C)C	379980149	RZKYAPMXTHOITG-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CC(C)(C)C(=O)NN	384866141	PFYFRIVCQMKLSI-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)C[C@H]1C	384991326	CKLYZFPTGUNEEP-XGEHTFHBSA-N	215.297	-0.544	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCSC[C@H]1CO	388077298	AVPVDTZFNUACBQ-BDAKNGLRSA-N	247.364	-0.589	50	10	BBGE	
COC(=O)c1cc2c(B(O)O)cncc2[nH]1	390211948	VUSSNZFILFDGOP-UHFFFAOYSA-N	219.993	-0.971	50	10	BBGE	
CCC(=O)c1c(C=O)cccc1B(O)O	396048593	AHQYOEZWYREQLB-UHFFFAOYSA-N	206.006	-0.228	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H](O)CC[C@H]2C1)C(=O)NN	398735529	DJHBDUMWWXOYTH-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1[C@H](C)CC(=O)NN	399428758	QJOZLIYTLNBRDY-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
O[C@@H]1COCCN(CCOCCCl)C1	399973318	JWOVLWHNATUWLF-VIFPVBQESA-N	223.700	-0.065	50	10	BBGE	
CN(C)C(=O)N1CCN(C[C@@H](O)CCl)CC1	401694665	UDFRAYZZCYOZCB-VIFPVBQESA-N	249.742	-0.115	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1ccon1	404980421	HZBVPRGEMJFQTQ-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@H](N[S@](C)=O)c1cccc(B(O)O)c1	405036387	NNRSNXDWDPMZAG-ZIDLFYJRSA-N	227.094	-0.690	50	10	BBGE	
CNC(=O)N(C)Cc1csc(B(O)O)c1	405157699	YKXBWTXQEFHLKV-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
CC1CC(C(=O)Nc2ccnc(B(O)O)c2)C1	691954382	ZJGQDAWOKBCYRN-UHFFFAOYSA-N	234.064	-0.254	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COCC[C@@H]2O)CC1	692085311	LIGKHIFDCNGTID-QWRGUYRKSA-N	240.303	-0.266	50	10	BBGE	
OB(O)c1cnn(CCc2cccnc2)c1	694513609	GMNKKFOBYUJUID-UHFFFAOYSA-N	217.037	-0.799	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CCC(F)(F)C2)c1	694562529	FVZHPLKKLSPRKN-ZETCQYMHSA-N	230.023	-0.002	50	10	BBGE	
CCN1CC[C@@H](N(CC)[C@@H](C)C(=O)NN)C1	694928106	URPOOQYAUAYPJW-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2C[C@@H]2C1	699269619	LIZFBDVXNKAPFW-DJLDLDEBSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](N2CCC2)C1	702305345	LCKTZXBXMHTPBQ-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
COC[C@@H](CO[C@@H](C(=O)NN)C(C)C)OC	709959569	KJCCOCPOECCUEF-DTWKUNHWSA-N	234.296	-0.321	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259261	KIIPRYBLTSLENK-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
Cc1ccc(OCC[C@H]2CO2)c(B(O)O)c1	718542801	LFYTVGNJBBPYBT-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
C=CCNC(=O)NNC(=O)[C@@H](C)OCCOC	748452088	FXIYHKPLIRUZHS-MRVPVSSYSA-N	245.279	-0.446	50	10	BBGE	
NC(=O)NCC(=O)NN=c1cc[nH]cc1Cl	757413965	YLGSFNWMJOBLLH-UHFFFAOYSA-N	243.654	-0.732	50	10	BBGE	
CSC1(C(=O)NNC(=O)c2cnn[nH]2)CC1	789758565	PVKGZSFNWYLBEF-UHFFFAOYSA-N	241.276	-0.539	50	10	BBGE	
C[C@H](O)[C@H]1CN(S(=O)(=O)CCl)CCO1	849399797	NYRBKDNVAWSVIA-NKWVEPMBSA-N	243.712	-0.406	50	10	BBGE	
CC(=O)NNC(=O)C1(N2CCOCC2)CC1	864427312	OGBAHBWQIWTBSZ-UHFFFAOYSA-N	227.264	-0.982	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H](O)C(C)(C)O	887151748	JGHKLPQPRMDSTL-VIFPVBQESA-N	242.275	-0.931	50	10	BBGE	
CN(C)C(=O)NNC(=O)COC1CC1	900428825	ZCGCAFXSYXWWMZ-UHFFFAOYSA-N	201.226	-0.532	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)C(C)C	918682276	QNSKTEBBXKTEMV-UHFFFAOYSA-N	229.280	-0.294	50	10	BBGE	
O=C(NNC(=O)C1(n2cccn2)CC1)NC1CC1	930720121	MTTGPBJIHQMTGB-UHFFFAOYSA-N	249.274	-0.135	50	10	BBGE	
O=C(Cc1ccco1)NNC(=O)c1ncon1	1134397453	ZSGWCRQWIVIRRL-UHFFFAOYSA-N	236.187	-0.334	50	10	BBGE	
CN(NC(=O)C1(C(=O)C2CC2)CC1)C(N)=O	1466168282	VHLXCZPGDBLEJT-UHFFFAOYSA-N	225.248	-0.213	50	10	BBGE	
CC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C	1539518657	UXDJRSLQIJPMTA-UHFFFAOYSA-N	227.180	-0.891	50	10	BBGE	
COc1cc(OC)nc(C(=O)NNC(C)=O)n1	1540576627	WRSKUNVPGKPCGX-UHFFFAOYSA-N	240.219	-0.725	50	10	BBGE	
Cc1cnc(C(=O)NNC(=O)c2cn[nH]c2)cn1	1623390047	KDILPTURZRBERL-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
COCCN(C)NC(=O)/C=C/C(=O)N(C)C	1627335842	GXWGUDXSFBOKRS-AATRIKPKSA-N	229.280	-0.760	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1ccc2nncn2c1	1654622017	PLBYTXSRCUIGMF-UHFFFAOYSA-N	244.218	-0.396	50	10	BBGE	
O=C(CI)NCCCO	1865946706	GVBFWAABHDJETP-UHFFFAOYSA-N	243.044	-0.080	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@H]1Br	1877372719	PUDINEIYHMKWHC-IUYQGCFVSA-N	208.059	-0.057	50	10	BBGE	
Cn1nnc(=NC(=O)[C@H]2C[C@@H]2Br)[nH]1	1883533800	WOQZLUGMFSNMPO-IMJSIDKUSA-N	246.068	-0.646	50	10	BBGE	
O=C(NC[C@@H](O)C(=O)O)[C@@H]1C[C@@H]1Cl	1883634723	NTSMJULQFYDPLO-MROZADKFSA-N	207.613	-0.825	50	10	BBGE	
CN(C[C@@H](O)CCl)C[C@@]1(O)CCOC1	1886702561	GFGCTPNGWGAJMW-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC([C@H](O)CO)C1	1887281743	TUYJVWJZWSYUBT-CAHLUQPWSA-N	207.657	-0.575	50	10	BBGE	
Cc1ccnnc1C(=O)NNC(N)=S	1889625194	LBKBFMJXBJYWCV-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@H]1COCCN1	1893118438	HVJMUYNLLBGTNF-BWZBUEFSSA-N	218.684	-0.282	50	10	BBGE	
O=S(=O)(CCCl)NCC[C@@H](O)CCO	1893420107	WRTOETUSSXOJQP-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)c1ccnn1C	1895137591	XSYDRCDGSYAFOT-JGVFFNPUSA-N	223.280	-0.518	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CC[C@@]1(C)N)S(C)(=O)=O	1901339488	OQDGRCCLFGEDQX-RKDXNWHRSA-N	249.336	-0.574	50	10	BBGE	
CC(C)=C(CN1CC(S(C)(=O)=O)C1)B(O)O	1901615862	FXKJAZKUAFPDPT-UHFFFAOYSA-N	247.125	-0.936	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H](F)C1=O	1901647604	VBCQWQYKEGLLSE-XLPZGREQSA-N	229.255	-0.427	50	10	BBGE	
CN(C)CCSc1cc(B(O)O)c(F)cn1	1903010386	PEANVCVZMIVINO-UHFFFAOYSA-N	244.100	-0.446	50	10	BBGE	
CC[C@@H](N)COc1cc(B(O)O)c(F)cn1	1903025944	NPOCLXACZNUMNM-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
O=C(O)C(Cl)=C(Cl)C(=O)NNCCO	1903064690	YPIPNZBUQOQUIV-UHFFFAOYSA-N	243.046	-0.627	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ncc(F)cc1B(O)O	1909570353	GPZZQQSQDJZFGP-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
CCc1cc(=O)n(C[C@@H](C)C(=O)NN)cn1	1912237720	QSHDBBGTLNSVLP-SSDOTTSWSA-N	224.264	-0.568	50	10	BBGE	
C[C@@H](CN1[C@H](C)CCS1(=O)=O)C(=O)NN	1912275404	PXQXQMWYLGRNRI-NKWVEPMBSA-N	235.309	-0.964	50	10	BBGE	
C[C@H](CN1CC(C)(C)CC1=O)C(=O)NN	1912277862	MEGOODREDKSOFA-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
COC[C@@H](O[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)NN	1913347465	BNYDTIVOHUAQKF-AATLWQCWSA-N	226.276	-0.028	50	10	BBGE	
CC(C)(CCl)NS(=O)(=O)N1CC(O)C1	1914177603	UYEVKMYSHJDMMN-UHFFFAOYSA-N	242.728	-0.485	50	10	BBGE	
CCN(C1COC1)[C@H](C)CC(=O)NN	1915655369	CBUDXNLAPYUQNM-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
NC(=O)N1CC(n2cnnc2CCl)C1	1917758011	CCFXQTUZWPTGPW-UHFFFAOYSA-N	215.644	-0.048	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC2(CC2)C1)C(=O)NN	1926421547	RESUQAILTXLWBU-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(CN1C[C@H](O)[C@H](F)C1)C(=O)NN	1929911201	SSQUVOSOUOIYLA-RQJHMYQMSA-N	219.260	-0.983	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NNC(N)=O	1935267371	NGDOCJDVNNRLMH-UHFFFAOYSA-N	211.225	-0.154	50	10	BBGE	
Cn1c(O)nnc1SC[C@@H]1C[C@@H]1C(=O)NN	1936093568	FTRRMSZSKFGSSD-WHFBIAKZSA-N	243.292	-0.761	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1C(F)(F)F	1937817227	WCGAZTZBGZWDBI-PHDIDXHHSA-N	241.213	-0.372	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1937987289	QNAKDIBTROFYBH-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@H]1COCCO1	1939103960	ZPVCWCVRKLQQJZ-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1939466441	PVHYKUQUTMLUAU-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](O)C1CCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941074627	SXEMZBAGZQWMOM-LSJOCFKGSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)COCCN1CCCCC[C@@H]1CO	1941775666	PUUACUVEMWMGFJ-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1948374122	KWNPODNDKUGORE-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC2)C[C@@H]1CO	1949697305	NKQVLCWOIBFGNM-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](Cl)CC(=O)NC1CS(=O)(=O)C1	1954240125	SBFOQGCHNKRVDB-YFKPBYRVSA-N	225.697	-0.083	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNC(N)=O)CO1	1955402938	JECIILUPKZMQHP-RXMQYKEDSA-N	201.226	-0.499	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)[C@@H]1COCCO1	1955461063	CVLNYHSDWGIOOT-BQBZGAKWSA-N	243.712	-0.094	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCN(C2CC2)C1	1958587136	PFXHTDXVRYBHCN-SECBINFHSA-N	212.297	-0.855	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@H]12	1958833891	RDOWOLKZDQMYQW-KCRUCZTKSA-N	213.237	-0.375	50	10	BBGE	
CC(C)(C)C(=O)N[C@H](CB(O)O)C(=O)O	1958871031	VLAKOEYCCWAUKL-RXMQYKEDSA-N	217.030	-0.925	50	10	BBGE	
Cc1cccnc1CN(C)CC(=O)NN	1959102484	HHHUWXRRHDYEMI-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
C[C@H](CNC(=O)NN(C)C)[C@H](F)C(=O)O	1959186138	PEPQVNQHKZKQJG-RITPCOANSA-N	221.232	-0.179	50	10	BBGE	
CN(C)C(=O)[C@H]1CCN(C[C@@H](O)CCl)C1	1960159266	LEQLELPOIHJHOU-IUCAKERBSA-N	234.727	-0.004	50	10	BBGE	
CC(C)c1ocnc1C(=O)NCB(O)O	1960520448	XDLHVNZGYQJTST-UHFFFAOYSA-N	212.014	-0.460	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1961573305	XTWYZVUZVGEFMS-XAVMHZPKSA-N	213.281	-0.790	50	10	BBGE	
C[C@H]1C[C@@H]1Oc1ncc(B(O)O)cc1F	1961694349	NDHUAFMZRIDFPO-XNCJUZBTSA-N	211.001	-0.312	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)C1	1961694832	UPFTWDMXTCTOKB-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)C[C@H]1F	1961718006	IXJUWNCYEIJGKK-NTSWFWBYSA-N	230.073	-0.383	50	10	BBGE	
O=C(c1ccon1)N1CCC(B(O)O)CC1	1964499938	DNJMJIKHJZEZBS-UHFFFAOYSA-N	224.025	-0.246	50	10	BBGE	
O=C([C@@H]1C[C@@]12CCOC2)N1CC[C@H](B(O)O)C1	1972412818	KRRUMPHYCRDHFT-ATZCPNFKSA-N	239.080	-0.512	50	10	BBGE	
COCC(O)(CNC(=O)OCCl)COC	1974682613	AYRPLIVENRRXKP-UHFFFAOYSA-N	241.671	-0.067	50	10	BBGE	
CC(C)COC1CN(C[C@@H](C)C(=O)NN)C1	1976059019	RUQOZNGBEQBDBV-SECBINFHSA-N	229.324	-0.031	50	10	BBGE	
CN1CCN(CC(=O)NN)c2cnccc21	1981047972	ULTJZWTVCQINJV-UHFFFAOYSA-N	221.264	-0.672	50	10	BBGE	
OCc1nnc2n1CCN(C[C@@H](O)CCl)C2	1981093721	PCGYVDPZTODVQI-ZETCQYMHSA-N	246.698	-0.814	50	10	BBGE	
CCN(CC(F)F)c1ccncc1B(O)O	1981421093	UXOVOOCIEFPEAM-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
OB(O)c1cnc(OCc2ccco2)nc1	1981430788	RVOKTAPNVGXRPV-UHFFFAOYSA-N	219.993	-0.672	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568271	SAPODRBSNICGOC-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
COCc1nccn1C[C@H]1C[C@@H]1C(=O)NN	1985660084	NRRIJWLJRFJVMU-SFYZADRCSA-N	224.264	-0.345	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]2(CC[C@H]2O)C1	1986977521	VSLSWBXQGJCQOZ-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@@H](C)[C@H](C)C(=O)NN	1990040625	GQRDQDNKWMRBEL-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C2CCC2)C1	1990773790	ZZTQEVXCMDIIDL-UHFFFAOYSA-N	225.292	-0.114	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCCC1(F)F	1992147076	YVPDCJRROJDDCY-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC[C@H](F)C1	1992152451	FFPZGBAMSHMGMH-IUCAKERBSA-N	227.044	-0.354	50	10	BBGE	
C[C@H](CN1CCO[C@H](CO)C1(C)C)C(=O)NN	1997289996	NPCBJPNCGDKYLV-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
COC[C@@H]1CCOCCN1CCCC(=O)NN	1998226807	BYDCYQCCQINZDN-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H](F)C2)n1	2003505371	AKJOKBXHEIFKKZ-ZETCQYMHSA-N	241.270	-0.433	50	10	BBGE	
CC(C)NC(=O)[C@H]1CCCN1[C@@H](C)C(=O)NN	2003616630	JZEWUEMLHLYRTF-DTWKUNHWSA-N	242.323	-0.646	50	10	BBGE	
CC12CCC(CC1)N2c1ncc(B(O)O)cn1	2004920042	GGPOSUYWRCVORN-UHFFFAOYSA-N	233.080	-0.322	50	10	BBGE	
CCOC[C@H](C)Oc1ncc(B(O)O)c(C)n1	2004929859	OOCYMWYMXIJJDJ-ZETCQYMHSA-N	240.068	-0.731	50	10	BBGE	
CCOC[C@@H](C)Oc1nc(C)ncc1B(O)O	2004932430	VDZIYKXYISKARM-SSDOTTSWSA-N	240.068	-0.731	50	10	BBGE	
CC1(Oc2ncncc2B(O)O)CCOCC1	2004935951	SGGNLFBNBJXATH-UHFFFAOYSA-N	238.052	-0.896	50	10	BBGE	
Cc1nc(C)n(-c2cc(C)c(B(O)O)cn2)n1	2004989692	AEKLUKMIEMPTJT-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C2CC2)C2CC2)n1	2005017759	JSLYOAITJYOYTP-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)nc1	2005810198	ULVGBAHNRGQAMR-ASXGKARISA-N	230.076	-0.394	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)nc1	2011416680	XYPZAQLVHPBGJH-DTORHVGOSA-N	242.034	-0.352	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@@H]32)o1	2013467439	DJBXZNLRNRAEOD-CBAPKCEASA-N	237.259	-0.286	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	2014222533	ZBIMDRPBSLFKIR-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2C[C@H]2F)n1	2014735072	LMUGRDBRSTVZSC-IONNQARKSA-N	239.059	-0.741	50	10	BBGE	
CC(=O)N1C[C@H]2C[C@H]1CN2CCCC(=O)NN	2017294360	BYAIVOZSXZIVHE-ZJUUUORDSA-N	240.307	-0.939	50	10	BBGE	
CO[C@@H](C)COC[C@H]1CCC[C@H](C(=O)NN)O1	2018242517	KAGFBADWZWUTCG-IVZWLZJFSA-N	246.307	-0.035	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCOC[C@H]1F	2020495666	CQEQJQWAXGSLQN-RKDXNWHRSA-N	241.027	-0.733	50	10	BBGE	
CN=c1[nH]c(N2CCC(O)(C#N)CC2)ncc1N	2039932399	YWPSOBGKWVWWBE-UHFFFAOYSA-N	248.290	-0.623	50	10	BBGE	
CN1CCN(Cc2ccc(B(O)O)cc2)[C@@H]2C[C@@H]21	2049379333	ITVRFMIQGXYGTM-QWHCGFSZSA-N	246.119	-0.745	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CCOCC2)C1	2052472539	MHFADBONAJIWRB-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
CN(CC1[C@@H]2COC[C@@H]12)c1ccncc1B(O)O	2054287984	UGHXFAFDBKKZBK-UWVGGRQHSA-N	248.091	-0.910	50	10	BBGE	
CCOc1c(C=O)cc(B(O)O)cc1[N+](=O)[O-]	2060141727	RBUFLQOVKQZQNC-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCOc1ccc(C=O)c(C)c1B(O)O	2060147261	COVOXXXWOKAVMH-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1c(B(O)O)ccc(C#N)c1[N+](=O)[O-]	2060205571	BLJASYVOQFPFDR-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccc(B(O)O)cc1	2079009088	DTFUGEASONLTFB-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41	2086996402	YEEOSEFJKPZZDP-ZHPIEBFOSA-N	243.071	-0.350	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCO2)c1F	2212603336	FHOUVTHKKOQODW-LURJTMIESA-N	226.016	-0.899	50	10	BBGE	
CC[C@@](C)(O)CNc1ncccc1B(O)O	2212606746	ZFZZEPOJSQITRL-SNVBAGLBSA-N	224.069	-0.666	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCCC[C@H]1CO	2215775380	GOFIXKCMCSRZQJ-VWYCJHECSA-N	241.335	-0.151	50	10	BBGE	
C#CCN(c1ncccc1B(O)O)C(C)(C)C	2217179245	IINPVMPCVFATEN-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
N[C@@H](COc1cc(B(O)O)ccn1)CC1CC1	2217192297	HGWWMGWIDILBIR-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1cc(B(O)O)ccn1	2217199275	BLJXSCRLFIOLNX-DTWKUNHWSA-N	238.071	-0.197	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1	2217201191	OSARNAFTTKQWFO-MMXMTNOXSA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1	2217201193	OSARNAFTTKQWFO-OHIMXTDESA-N	230.076	-0.172	50	10	BBGE	
O=c1ncc(B(O)O)cn1C1CC2(CCC2)C1	2217404655	LXQOJXVKBNBSLI-UHFFFAOYSA-N	234.064	-0.572	50	10	BBGE	
CO[C@H]1CC[C@@H]1C(=O)Nc1ccccc1B(O)O	2220582416	GMCDZSZMNGUNFM-KWQFWETISA-N	249.075	-0.270	50	10	BBGE	
OB(O)c1cnc(Nc2cnn(C3CC3)c2)nc1	2223634126	GPFKJJZVXAPYEB-UHFFFAOYSA-N	245.051	-0.569	50	10	BBGE	
C=CCO[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2223634888	PXYYJXMRXFEIAV-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
CN(C[C@H]1CCCN1C)c1cc(B(O)O)ccn1	2223636361	IXGSJSVDRSDWNH-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CNC[C@@H]3C2)nc1	2223641099	PTAZPQFJLJMEJJ-DOFRTFSJSA-N	247.107	-0.829	50	10	BBGE	
Cc1cnc(NC[C@H]2CN[C@H](C)C2)cc1B(O)O	2223641382	TWKLJMDZQBBLDF-NXEZZACHSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CNCC23CC3)c1	2223654457	NGYSCNNNULXBSA-VIFPVBQESA-N	248.091	-0.860	50	10	BBGE	
C[C@]1(Oc2cc(B(O)O)ccn2)C[C@@H]2NCC[C@@H]21	2223656137	IXMKSTCXVMZWJN-NHCYSSNCSA-N	248.091	-0.719	50	10	BBGE	
CC[C@@H](O[C@@H]1C=CCOC1)C(=O)NN	2241729661	VKMVCQRYUBSBBU-HTQZYQBOSA-N	200.238	-0.274	50	10	BBGE	
CCCOCOc1cc(B(O)O)cnc1C	2242866876	QGAHLSGFZCFLKQ-UHFFFAOYSA-N	225.053	-0.167	50	10	BBGE	
C#C[C@@H](NC(=O)C1(B(O)O)CC1)C1CCC1	2243359472	UGNQLCBXEGYGMP-SECBINFHSA-N	221.065	-0.089	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CCC[C@H]2C1	2243362626	UITTVSAEKHCXQY-ZJUUUORDSA-N	221.065	-0.350	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1O)C1(B(O)O)CCC1	2243397773	IWSJKRPOJVLSFN-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
CO[C@H](C)CNC(=O)c1cc(B(O)O)cs1	2243398312	OPYBLOYXKVTUPB-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@@H]1CCCCO1	2243399789	QLHIXUAVENLGOM-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2CCC[C@@H]2C1	2243400504	CAWDEAFUWDVDIO-MYJAWHEDSA-N	221.065	-0.303	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)s1	2243406963	IQTLZMWMCPKKJM-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C1(B(O)O)CC1	2243408862	WRALDAXBOFMCRB-PQFOHKHZSA-N	221.065	-0.236	50	10	BBGE	
COc1cccc2c1CC[C@@](N)(B(O)O)C2	2243577417	MGDKHHIHPDAASR-NSHDSACASA-N	221.065	-0.107	50	10	BBGE	
CC#CCC(=O)NCc1ccc(B(O)O)s1	2243702069	KQHNYPMXTOPXBH-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)co2)CC1	2244209721	BXTFUHQPOKEWDF-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
O=C(NNCCO)[C@@]12CC[C@@](CF)(C1)OC2	2245515505	BZLQMGCDBJYCAZ-UWVGGRQHSA-N	232.255	-0.492	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247742039	JRKZLXVLMQZSGA-QMMMGPOBSA-N	234.064	-0.916	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1ccc(B(O)O)o1	2247744514	UHTLNEBKYUAEHE-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1occc1B(O)O	2247745651	MNZGGUFFXNZJFA-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
COC12CC(C1)N(C(=O)C1(B(O)O)CCC1)C2	2247756196	RWGQQRQUOSYMNK-UHFFFAOYSA-N	239.080	-0.227	50	10	BBGE	
C[C@@H](CCO)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247793456	XUGVPYNVPVKGBL-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
O=C(NCc1ccc(O)cc1)[C@H]1C[C@H]1B(O)O	2247804788	IOCZDBJAFPXTPJ-VHSXEESVSA-N	235.048	-0.129	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247808350	KVPROZOVCHGJRM-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247810423	XHJHGMACSOHZJF-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(C)(F)F)C(=O)C#CB(O)O	2247850049	JBMBPPBKYBWRAS-SFYZADRCSA-N	245.034	-0.249	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)o2)C1(F)F	2247850865	AKTYQGRNHILEOX-CLZZGJSISA-N	244.990	-0.657	50	10	BBGE	
CC1=CCN(C(=O)c2cncc(B(O)O)c2)C1	2247853323	KJAFDBVLLODLMH-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)CN1	2247854022	WFDIMIKAQMCMAY-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
CC(C)N(C)C(=O)c1ccc(F)c(B(O)O)c1	2247867293	CHXZTVBJAKSWNT-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ccc(F)c(B(O)O)c1	2247867375	DEMNHHQHXCJZHD-QUBYGPBYSA-N	237.039	-0.356	50	10	BBGE	
C[C@H]1C[C@H](CN)CN1C(=O)C1(B(O)O)CCC1	2247876997	AGQABUHKDLQSNT-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
C=CC[C@@H](CO)CNC(=O)C1(B(O)O)CCC1	2247877250	DZFCLFVUIKERHK-SECBINFHSA-N	241.096	-0.316	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879810	WBYHVHUQBWXXKY-SECBINFHSA-N	240.112	-0.419	50	10	BBGE	
O=C(NCC[C@@H]1CCCCO1)[C@H]1C[C@@H]1B(O)O	2247897680	WBSWTXPTTZERMU-GUBZILKMSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247899847	QQKGZVVAAKPRKR-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2C[C@]2(O)C1	2247904863	RAQMYCJKGQCQFZ-IEZMZVKSSA-N	239.080	-0.777	50	10	BBGE	
C=CCC(=O)N1CCc2c(B(O)O)cccc21	2248397910	OOBOABIBNBIHOR-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)C(C)(C)C(=O)O	2248588010	XWBVEJVMUBZOQB-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
O=C(O)C[C@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588442	CTWSHNKJGWQIAL-BWZBUEFSSA-N	241.052	-0.685	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](n2cccc2)C1	2255466740	DAKYJLKBHRPARG-LLVKDONJSA-N	246.075	-0.333	50	10	BBGE	
Cc1ccc(C(=O)NOCC2CC2)c(B(O)O)c1	2255509096	HQJGKJYJRWDZFU-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ncncc1B(O)O	2255520044	FRMLSSNQHFJCMU-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1ncccn1	2255710079	GIXFDHZUMDBDCS-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cc1ccc(C(=O)N2CCCOC2)c(B(O)O)c1	2255736306	KSZQTZKBAQGUQV-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1cc(C)ccc1B(O)O	2255737109	ZOXSXDRCCADEIX-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
N=c1cc(CNC(=O)C2(B(O)O)CCC2)cc[nH]1	2255742847	VCUQQFSXVNSZOK-UHFFFAOYSA-N	249.079	-0.493	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1cocc1B(O)O	2258137664	ZPOISNPMPFAXBH-NSHDSACASA-N	247.059	-0.557	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N1CCCC1	2298370225	SCEJJHDEHMDOGB-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@@H](C)CCC(=O)NN	2301394544	ACKPPTXPEJOPBT-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2302523035	TYMGXMGBRHTUNS-KXUCPTDWSA-N	243.112	-0.285	50	10	BBGE	
C=C(C)CC(=O)Nc1ncc(B(O)O)c(C)n1	2302851726	GYNLKGMLKLYRJX-UHFFFAOYSA-N	235.052	-0.630	50	10	BBGE	
COCc1ocnc1CN1CC[C@H](B(O)O)C1	2303102668	YUUKYAOGOZZVCK-QMMMGPOBSA-N	240.068	-0.130	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C[C@@H]2CCC[C@@H]21	2310726467	LAWVHMRYWKDPQJ-QXEWZRGKSA-N	247.107	-0.219	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1cc(B(O)O)ccn1	2312614610	ZSWVGJWOLRKQTC-UUTMEEIUSA-N	248.091	-0.734	50	10	BBGE	
C[C@H]1[C@@H](N)CCN1c1ccc(B(O)O)cc1C#N	2317168697	XPILSTWWLZSAPA-KWQFWETISA-N	245.091	-0.836	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1C[C@@H]1N	2317211264	JTBUGLYNVTWXCQ-GGVZMXCHSA-N	246.075	-0.647	50	10	BBGE	
C/C(=N/NC(=O)C(N)=O)c1ccccn1	34806237	YQXFDJJVZJKMSO-SDQBBNPISA-N	206.205	-0.593	50	10	BBGE	
CN(N)CC(=O)NN(C(=O)O)C(C)(C)C	39094067	MEPKKJURDDDLGM-UHFFFAOYSA-N	218.257	-0.398	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc(F)cc1F	51018095	QYTZZGRWLITVGR-UHFFFAOYSA-N	229.186	-0.429	50	10	BBGE	
CCN(CCN(C)C)C(=O)CCCC(=O)NN	58852811	VWZNNVYHJPZLQF-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCNCC1	69625256	YRBXMYRAYIULDE-VIFPVBQESA-N	214.313	-0.560	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nnc(N)n1C	82473350	QBAWOAOGQAFKDF-BYPYZUCNSA-N	230.297	-0.742	50	10	BBGE	
CCN1CCC[C@H]1CN(C)CC(=O)NN	86190434	XSAHSIVZYGXAAU-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CC(C)N(CCO)[C@H](C)[C@@H](C)C(=O)NN	86313649	IZCQZLMMQHQVDZ-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
CCN1CC(=O)N(C[C@H](O)CCl)CC1=O	163077264	JTGKMNWALZBEKK-SSDOTTSWSA-N	234.683	-0.723	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](N)C1	216481303	MRKRMNVELLUCIV-BDAKNGLRSA-N	214.313	-0.576	50	10	BBGE	
O[C@@H](CBr)CN1CC[C@@H](O)C1	225635870	CACMIHHOPCKPKR-RQJHMYQMSA-N	224.098	-0.191	50	10	BBGE	
CCN(C1CC1)[C@@H](COC)C(=O)NN	232419087	GKTYPSSHTWLMRD-QMMMGPOBSA-N	201.270	-0.524	50	10	BBGE	
CN(C)c1ccccc1NC(=O)C(=O)NN	234252891	MFUYQEXXYUAAQA-UHFFFAOYSA-N	222.248	-0.319	50	10	BBGE	
O=C1CN2C(=O)CC[C@]2(C(=O)Cl)N1	238549330	YNZCOIXQQJHCRR-ZETCQYMHSA-N	202.597	-0.800	50	10	BBGE	
N#C[C@@H](O)Cn1cnc2c(N)ncnc21	238704959	UVEVVRHSPLJSAC-RXMQYKEDSA-N	204.193	-0.707	50	10	BBGE	
COC(=O)CCC(=NNC(=O)OC)C(=O)OC	254797232	JVKXVBYLURNWRZ-UHFFFAOYSA-N	246.219	-0.175	50	10	BBGE	
OC[C@H]1[C@H](CCl)[C@H]2C[C@H]1[C@H](O)[C@H]2O	307349369	FWCUIQMBBGFVSD-JTMCIWCCSA-N	206.669	-0.179	50	10	BBGE	
CC(C)CCS(=O)(=O)CC(=O)NN	308130275	AJZZEMCZZXVYDJ-UHFFFAOYSA-N	208.283	-0.563	50	10	BBGE	
CCN(CCOCCO)C[C@@H](O)CCl	308518461	GKQWGYTVXWUGJC-VIFPVBQESA-N	225.716	-0.083	50	10	BBGE	
CN1CC[C@H](N(C)CCCC(=O)NN)C1	308932050	RNFRYALRWOWBSW-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CCS(=O)(=O)c1ccc(N)c(C(=O)NN)c1	309232273	XYCXKOTYKSFXDU-UHFFFAOYSA-N	243.288	-0.334	50	10	BBGE	
Nc1c(C(=O)NNC=O)cccc1[N+](=O)[O-]	309599360	JNJUUYDCKLSWNX-UHFFFAOYSA-N	224.176	-0.432	50	10	BBGE	
COC(=O)CCc1cc(C#N)cc(B(O)O)c1	396109793	OJPUBJFOWXGIFQ-UHFFFAOYSA-N	233.032	-0.656	50	10	BBGE	
Nc1c(B(O)O)c(CO)cc2sccc12	396255348	XWRDOVWMOFSUPV-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
OCc1cc(O)c2sccc2c1B(O)O	396348232	UFNMADGRCHKJKN-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OCc1ccc2cc(O)sc2c1B(O)O	396370416	HJVVXXGCOBJARF-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CN(CC[S@](C)=O)C(=O)NC(=O)CCl	398844980	LGPKIBRKTVPAQV-AWEZNQCLSA-N	240.712	-0.228	50	10	BBGE	
CNC(=O)CCS[C@@H](C(=O)NN)C(C)C	399154036	ASWRRIAEIKGWJJ-MRVPVSSYSA-N	233.337	-0.130	50	10	BBGE	
NC(=S)NNC(=O)CC[C@@H]1CCOC1	401439191	LEDVFVQXPCCFDG-ZCFIWIBFSA-N	217.294	-0.333	50	10	BBGE	
CO[C@]1(CO)CCN([C@H](C(=O)NN)C(C)C)C1	402612376	PVDKHBPVOSSGPO-GXSJLCMTSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@](C)(CO)NCc1cccc(B(O)O)c1	585032057	AKFIPNIBGISOGP-LBPRGKRZSA-N	237.108	-0.383	50	10	BBGE	
N=c1nc([N+](=O)[O-])[nH]n1C[C@H](O)CCl	687769350	AQEARDFBZTZGBY-GSVOUGTGSA-N	221.604	-0.801	50	10	BBGE	
CCN(C[C@H](C)O)[C@H](C)[C@@H](C)C(=O)NN	692168629	ICQLQVZAJFNVTO-DJLDLDEBSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H]1COC2)C(=O)NN	695050224	SHVGLLGAZASFJK-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CCCC[C@H](C[N+](=O)[O-])NNC(N)=O	702616572	HTTUJELYWNZPRD-ZCFIWIBFSA-N	204.230	-0.005	50	10	BBGE	
C/C(=C\Cl)Cn1cc(B(O)O)cn1	703718890	ZAQIIEZVLQDQGI-QHHAFSJGSA-N	200.434	-0.295	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1cccc(B(O)O)n1	704337733	FFEJFJQBDZPYEJ-CPCISQLKSA-N	234.064	-0.254	50	10	BBGE	
Cn1nnc(CN[C@H]2CCOC[C@@H]2Cl)n1	706727651	QORWYTQCHZAVBG-BQBZGAKWSA-N	231.687	-0.304	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@@H]3C[C@H]32)c1	707089708	RRCSNYJGEFKIMQ-NOZJJQNGSA-N	247.103	-0.031	50	10	BBGE	
C[C@@H]1CN([C@@H](C)[C@@H](C)C(=O)NN)C[C@H]1CO	708079188	DBKJGBKROPVMER-IMSYWVGJSA-N	229.324	-0.439	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CN(C)CCO1	709402272	DKMHWTUJVXAIOB-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC(C)[C@@]1(O)CCCN(CCC(=O)NN)C1	710190518	NHIJWKRQUDEIJE-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
ClCCOCCCNCCn1cnnn1	712592531	SZVQEDLZDCCNMU-UHFFFAOYSA-N	233.703	-0.092	50	10	BBGE	
CC[S@@](=O)N1Cc2cccc(B(O)O)c2C1	713203682	ATEKVCZYWUZUTQ-MRXNPFEDSA-N	239.105	-0.634	50	10	BBGE	
O=S(=O)(CCCl)N[C@@]12COC[C@H]1C2	718109554	GAFQRNHPBKJJSA-RQJHMYQMSA-N	225.697	-0.067	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]2C1	718251871	MEUPWLUNEHBYPL-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ncccn1	718911063	TZGJRAKGYLXASH-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)C1=NCN=C1	725594561	ZDYRIEOHPCJJMG-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)[C@H]1CCCO1	817214459	RHZJSYKZXBBFEH-SECBINFHSA-N	241.291	-0.569	50	10	BBGE	
CNC(=S)N(C)NC(=O)Cn1ccnc1	854920812	IZXMQZFRKFDADL-UHFFFAOYSA-N	227.293	-0.650	50	10	BBGE	
O=C1CCN2NC[C@H](Br)[C@@H]2N1	953101896	PABADPNXPSHXHT-UJURSFKZSA-N	220.070	-0.584	50	10	BBGE	
Cn1nncc1NNC(=O)Cc1cc[nH]n1	1183572030	QDZWYRGAMGZYMU-UHFFFAOYSA-N	221.224	-0.776	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H]1CCNC1=O	1261676786	UONQWBSEBQYRSH-QMMMGPOBSA-N	241.291	-0.294	50	10	BBGE	
CN(NC(=O)c1coc(C#N)c1)C(N)=O	1295202272	ZGLXYQWVFSEHIT-UHFFFAOYSA-N	208.177	-0.193	50	10	BBGE	
COc1c(C(=O)NN(C)C[C@H](C)O)cnn1C	1350777860	DVQNZMOWDXRCEX-ZETCQYMHSA-N	242.279	-0.614	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@H]1c1cnc[nH]1	1457835589	JPMASXQMTBIFCV-PHDIDXHHSA-N	233.235	-0.225	50	10	BBGE	
CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ncon1	1472178762	FKFKAVQGZVSMMQ-NTSWFWBYSA-N	242.235	-0.762	50	10	BBGE	
O=C(NNc1ncccn1)c1cnncc1O	1540750886	GAOCYUDIJCJANS-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccc[n+]1[O-]	1542415008	KENKPPWQJSSAQW-UHFFFAOYSA-N	224.220	-0.764	50	10	BBGE	
C=C(CO)C(=O)NNc1cc(Cl)nc(N)n1	1567516937	JWZBAHJNBRBXDB-UHFFFAOYSA-N	243.654	-0.296	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc(O)n1C	1597671763	FMEXUAMKLCHWOI-UHFFFAOYSA-N	227.224	-0.910	50	10	BBGE	
CNCCS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883568595	XATLNBWMNJAVTL-RQJHMYQMSA-N	226.729	-0.248	50	10	BBGE	
COC[C@@H](OC[C@H](C)OC)C(=O)NN	1886076279	CTAWIYHTNLENQI-NKWVEPMBSA-N	206.242	-0.957	50	10	BBGE	
O[C@H]1C[C@H](O)CN(CCOCCCl)C1	1886143282	PULJUBOZNGABIY-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
CN(CCN)S(=O)(=O)NC[C@H]1C[C@@H]1Cl	1893128344	OARXTAQRWFTOCR-RQJHMYQMSA-N	241.744	-0.661	50	10	BBGE	
C[C@]1(O)CCN(S(=O)(=O)CCl)C[C@@H]1O	1894992120	OACNPFGZMOMTIA-BQBZGAKWSA-N	243.712	-0.670	50	10	BBGE	
C[C@H]1C(C(=O)Nc2ccc(B(O)O)cn2)[C@@H]1C	1907975957	DYKDMLUWJOPPJU-RNFRBKRXSA-N	234.064	-0.398	50	10	BBGE	
N#CCC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	1908821973	LKGAPXVBKFEJPW-ZJUUUORDSA-N	238.291	-0.631	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1908896912	BUIHDKVRCGBBOM-VWYCJHECSA-N	240.351	-0.078	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@H]1CF	1909485641	WTZHEQJQVOXBAX-NKWVEPMBSA-N	238.027	-0.695	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@H]1C	1914252833	ALLMHFSGUQTRDR-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
COCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1916281670	QAUULYHHWFOXLT-DTWKUNHWSA-N	213.281	-0.809	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926423661	ZKVXMRKTIYWSIH-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@@H]2C1	1927920230	UZFIDIVEAZPQQV-DOLQZWNJSA-N	209.293	-0.046	50	10	BBGE	
C[C@H]1CCS[C@@H]1C(=O)NNC(N)=O	1930926557	HLCAYPYBAYTBAX-WHFBIAKZSA-N	203.267	-0.173	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092657	YLGKIXUKWDYKDC-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC1(C)COC1	1936093105	ATDDAFYYQKPCIG-IUCAKERBSA-N	227.308	-0.419	50	10	BBGE	
C[C@H](O)C12CCC(CC1)N2CCC(=O)NN	1938705750	XKWNPPIDQRWDFX-SILCLGDVSA-N	227.308	-0.256	50	10	BBGE	
C[C@@]1(CO)CCCN(CCOCC(=O)NN)C1	1941773196	UJLQAHOLSLVXPP-LLVKDONJSA-N	245.323	-0.913	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1942758312	TVKNTWDYFFGDDI-JLLWLGSASA-N	239.319	-0.133	50	10	BBGE	
CNC(=O)OC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	1943063338	RYMGCSGGHBSNIX-RNFRBKRXSA-N	244.295	-0.959	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(=O)C(C)(C)C	1944383722	KTRYUZZIVJVABT-UHFFFAOYSA-N	243.307	-0.299	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)C2(CC2)C1	1944604755	WVMPIOUBCWBWCE-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CC[C@@H]1O	1953522396	SEZOPRDHPDSNJV-WDSKDSINSA-N	213.686	-0.332	50	10	BBGE	
NNC(=O)NCCCNC(=O)C1CC1	1955302073	OHJMAZRHPRAWPT-UHFFFAOYSA-N	200.242	-0.924	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2CC(F)(C2)C1	1956051280	KSJJNNJBNZQZBV-SXJRXYEXSA-N	201.245	-0.201	50	10	BBGE	
O=C(C[C@H]1CNC[C@@H]1O)NCC(Cl)Cl	1957225294	HCCJMVIJJVHHLD-WDSKDSINSA-N	241.118	-0.123	50	10	BBGE	
O=C(C[C@H]1CCOC1)N1CCC(B(O)O)CC1	1964500425	KELGPEKGHGXDHF-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CCN1CCC[C@@H](N(C)[C@H](C)C(=O)NN)C1	1976089454	IDFMSHDAFMSPCZ-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1976404080	ZRJNVDATRKSVNH-PMXSCFQLSA-N	221.304	-0.047	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCN(C(C)(C)C)C1	1976570743	QMPRUFFDUPRHRD-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CN(Cc1ncno1)CC(F)(F)C(=O)NN	1976744240	GGFDTXGNLHSXEL-UHFFFAOYSA-N	235.194	-0.873	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]1c1ncon1	1976754792	CFLGPYZRFVZFJD-ZETCQYMHSA-N	225.252	-0.414	50	10	BBGE	
CCN1CCN(C[C@@H](C)C(=O)NN)[C@H](C)C1	1977147469	OPDAETIIEXOCIQ-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([C@H](F)CO)C1	1979549156	WHYXDALKOWGCPN-BDAKNGLRSA-N	233.287	-0.593	50	10	BBGE	
CC1(C)CCN1c1ncc(B(O)O)cc1F	1981470307	AARBOXMUDFMDHN-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
OB(O)c1csc(N2CC(CC(F)F)C2)n1	1981471768	KLNRJLORGZWSQH-UHFFFAOYSA-N	248.063	-0.086	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCC[C@@H]1CO	1981555459	UHJPTUKOWGFZGQ-BBBLOLIVSA-N	227.308	-0.541	50	10	BBGE	
CN(C)CCOCc1cccc(B(O)O)c1	1982825770	WDSNAEZLKMOVTQ-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)C[C@@H](C)C(=O)NN	1983802672	ZSBCQSZXJKFZBZ-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
CC[S@](=O)NCCc1cccc(B(O)O)c1	1984070166	VABJNRFUWBHPRP-INIZCTEOSA-N	241.121	-0.818	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)CCCl)C[C@@H]2N1	1986838852	ALAZHICSOTWLMP-JGVFFNPUSA-N	246.694	-0.269	50	10	BBGE	
NNC(=O)CCN1CCC[C@]2(CC[C@H]2O)C1	1986978203	YEDCFJAWQUWUMW-KOLCDFICSA-N	227.308	-0.397	50	10	BBGE	
CCC1CN(c2ncc(F)cc2B(O)O)C1	1988001891	PCDFVKVVWGHVRA-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
O=C(CC[C@H]1CCCO1)NCC=CB(O)O	1991335902	HTONMPJURFTRTQ-SECBINFHSA-N	227.069	-0.370	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@H]1Cl	1991678527	GKEYGSMGXSQCLJ-IUCAKERBSA-N	239.467	-0.068	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)/C=C/C(=O)Cl)C1=O	1991703346	GGYQWQRJQIFZBV-WVSAJJKCSA-N	244.634	-0.819	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCC(=O)NC1=O	1991703424	GXFMWUYSDIYZRJ-FYTLMZHYSA-N	244.634	-0.771	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@H](CCO)C1	1991705526	FZPPIWWIPVMJDZ-FHKCNRDCSA-N	246.694	-0.509	50	10	BBGE	
CN(C[C@@H]1COCCN1)C(=O)/C=C/C(=O)Cl	1991705600	HBFHJDHJODQVAP-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
C[C@@H](CN(C)C1(CCO)CCC1)C(=O)NN	1994892684	LTJWBDVYPXIDFW-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CO[C@H]1[C@H](N(C)CC(=O)NN)CC12CCC2	1995097792	NZRJQHQSJWUHBP-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
CCCOCCOc1ncc(B(O)O)cc1C	2004930321	SHWBJTYJJWSPOL-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H](C)O1	2004935136	WHMQEAYVPYZJLA-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(Sc2ccncc2B(O)O)n(C)n1	2005007169	ASLKBXYHQCVBRM-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
OB(O)c1cccnc1-n1cnc(C2CC2)n1	2005007870	NVKDPWVRMZCIMX-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
COC1(C)CN(c2ncc(B(O)O)cc2C)C1	2005017862	LFSFMFVKDJLJSQ-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@@]2(CCCOC2)C1	2009135637	DCCLZHZESAAOSJ-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1OCC[C@H]1F	2009207163	VIPHFNZCAJRUNW-RKDXNWHRSA-N	249.286	-0.948	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C(=O)CCC2=O)C1	2010832394	HXECPBOUFRSCRB-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CNC(=O)OC)C1	2014046188	NQQODYXUYMTULM-QMMMGPOBSA-N	244.295	-0.957	50	10	BBGE	
Cc1ncnc(C)c1CN1CC(=O)OC(=O)C1	2014120294	CFQJNBXFMBPZEF-UHFFFAOYSA-N	235.243	-0.021	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)ccc1O	2020059001	KHACQYJXVWCXQZ-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H]1C1CC1	2022352016	OCEDMAAXQFLKCR-KOLCDFICSA-N	233.076	-0.426	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070856431	YOPIQYQTEZIPHF-MXHPPYTASA-N	245.091	-0.753	50	10	BBGE	
COc1ccccc1NC(=O)NCC#CB(O)O	2077440109	AYMXMYYWQDFPTH-UHFFFAOYSA-N	248.047	-0.168	50	10	BBGE	
C[C@H]1COC[C@H]1NC(=O)c1ccccc1B(O)O	2079008829	BVGUPKKGUFSAER-GZMMTYOYSA-N	249.075	-0.869	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2212603261	DYOSRDGBKFBTHL-DTWKUNHWSA-N	221.069	-0.947	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1ccc(B(O)O)cn1	2212606335	SCLAPPSSPSHMPQ-BDAKNGLRSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCSC2)c1	2212609986	AJQAZYWACDYYKX-QMMMGPOBSA-N	238.121	-0.074	50	10	BBGE	
CCN(CCC#N)c1cc(B(O)O)ccn1	2212610661	MPKSBQQASQFRGH-UHFFFAOYSA-N	219.053	-0.499	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2[C@H](C[C@H]2O)C1	2213027171	FWJMJHFIGXYNAU-KAMPLNKDSA-N	239.319	-0.685	50	10	BBGE	
NC1CCC(Nc2ncccc2B(O)O)CC1	2217174042	VXLUTVYIDBLKPW-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1ccnc(N2CC(C3CC3)C2)c1F	2217178980	DGXPDRJNSBWVOU-UHFFFAOYSA-N	236.055	-0.253	50	10	BBGE	
COC(=O)[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217179632	AFODKJYQRRPIKT-SSDOTTSWSA-N	238.052	-0.957	50	10	BBGE	
Cc1cnc(N[C@H]2COC[C@@H]2F)cc1B(O)O	2217184494	PGGHKWXCRJDISE-IUCAKERBSA-N	240.043	-0.781	50	10	BBGE	
CC[C@@H](N)C[C@@H](C)Oc1ccc(B(O)O)cn1	2217190390	CXRKUEHXIBTNCT-PSASIEDQSA-N	238.096	-0.344	50	10	BBGE	
CC1(C)CNC[C@H]1Oc1cc(B(O)O)ccn1	2217195121	FWDQBTXLDSMXHL-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H]1C[C@H](Nc2ncccc2B(O)O)CO1	2217198895	HRESAXYBWAKHKZ-DTWKUNHWSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C(F)(F)C12CC2	2217204016	DCVUMBBXFMOTEQ-QMMMGPOBSA-N	240.018	-0.029	50	10	BBGE	
CC1(O)CC2(CN(c3cc(B(O)O)ccn3)C2)C1	2223637918	ICUQUHBWNFLHJY-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCNC12CCC2	2223640423	WNSSVXOTWVIAEL-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
OB(O)c1ccnc(NCC23CCN(CC2)C3)c1	2223668527	XOZVEPPXFASQLO-UHFFFAOYSA-N	247.107	-0.731	50	10	BBGE	
OB(O)c1cccnc1N1CCCCC12CNC2	2223669725	NRSAUJKPTVBANY-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CN1CCCC[C@@H]1CNc1cc(B(O)O)ccn1	2223673915	IEAXEHBIANOPGH-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
CN(CCO)S(=O)(=O)N1CC(Cl)C1	2241354627	ZHSPFSQTCJDDTG-UHFFFAOYSA-N	228.701	-0.922	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N(C)C1CC1	2243386207	WJDSJLMJAHRWSE-UHFFFAOYSA-N	240.093	-0.634	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH][nH]1	2243391445	KQTKQCLYYPCTLF-LJGSYFOKSA-N	223.041	-0.668	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2243401063	LQLCHPHTWXKWHR-KHWQERMQSA-N	219.049	-0.980	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@@H](C)CN1	2243408443	NEGRMXLSXBYKNW-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
C[C@]1(O)CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243426629	JGYFUEGLFQZLBJ-OORONAJNSA-N	227.069	-0.731	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1[C@H]2COC[C@H]1C2	2243426958	OEFLKCYLGNYQLC-FNCVBFRFSA-N	225.053	-0.761	50	10	BBGE	
O=C1[C@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427557	XGCUFAVFGIQIAV-XUTVFYLZSA-N	223.037	-0.756	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@@H]1C(F)F	2244085035	SWTUPMQGACFDQM-WDSKDSINSA-N	235.234	-0.226	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1cc(B(O)O)co1	2244205552	KQJXJSNQLGSSKB-LJGSYFOKSA-N	243.455	-0.541	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2244212413	PKTPTPYDEUULRA-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
O=C(NCCC#CB(O)O)N[C@@H]1C=CCC1	2244539003	CMATVYWIKMMIQG-SECBINFHSA-N	222.053	-0.590	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@@H]2F)[nH]cc1Cl	2245912605	DDFXUZJGGJBAHH-XRGYYRRGSA-N	244.462	-0.393	50	10	BBGE	
COCCCNC(=O)c1cc(B(O)O)oc1C	2247723206	QSNSJFVTCJKSJJ-UHFFFAOYSA-N	241.052	-0.966	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1coc(B(O)O)c1	2247733742	PMDKSJIDFIVUMA-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
CC[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747645	QMTJDZLYJDQSMO-YUMQZZPRSA-N	238.096	-0.141	50	10	BBGE	
N[C@H]1CCCCN(C(=O)C2(B(O)O)CCC2)C1	2247750409	IZGZMNPBRIHQEM-VIFPVBQESA-N	240.112	-0.277	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)C1(B(O)O)CCC1	2247757134	VMMPLNVWNSTDHG-YIZRAAEISA-N	239.080	-0.465	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1CO)C1(B(O)O)CC1	2247758307	UVJJBUGJYOQLIC-BDAKNGLRSA-N	241.096	-0.482	50	10	BBGE	
C#CCCNC(=O)c1c(C)cccc1B(O)O	2247760048	AVWANAGRNDIZIA-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2247769948	MKYALSSMBXPDGQ-CBAPKCEASA-N	234.064	-0.710	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2247775192	IKJYCSJLAHINTJ-OIBJUYFYSA-N	234.064	-0.758	50	10	BBGE	
CCN(CC)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787935	WRXRKJLREHKBSR-AOOOYVTPSA-N	242.128	-0.303	50	10	BBGE	
Cc1cc(C(=O)NCC[C@H](C)F)oc1B(O)O	2247789333	UHYZSJQRMLCMAC-ZETCQYMHSA-N	243.043	-0.254	50	10	BBGE	
O=C(NC[C@]1(F)CCCNC1)[C@@H]1C[C@@H]1B(O)O	2247793478	XZKOBRAUKDASQO-WEDXCCLWSA-N	244.075	-0.943	50	10	BBGE	
C[C@H]1CNC[C@@H](C)[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247796985	FHZRNSVBCCPSLF-CVPUBMOQSA-N	240.112	-0.791	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCNCCC1	2247803536	BPPMQPGYIBKUAH-MGCOHNPYSA-N	240.112	-0.549	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](O)C[C@H](F)C1	2247806873	OUUMUOXESFRWCB-JBDRJPRFSA-N	245.059	-0.829	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@@]2(CO)C1	2247807019	GXZACXOFGZDNPS-IEZMZVKSSA-N	239.080	-0.920	50	10	BBGE	
O=C(NC[C@@H](CO)C1CC1)C1CC(B(O)O)C1	2247808694	LVVYFLHDMXIZRW-KYHHOPLUSA-N	241.096	-0.626	50	10	BBGE	
CCN(O)C(=O)c1cc(F)c(B(O)O)cc1F	2247843980	UNZKGZCPDPYNAN-UHFFFAOYSA-N	244.990	-0.504	50	10	BBGE	
COC1CC2(C1)C[C@@H]2NC(=O)[C@H]1C[C@@H]1B(O)O	2247855851	ZDAHQEMJJAMULF-DFCPUJECSA-N	239.080	-0.467	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC1(C)C	2247867179	ACFGPDVAPRFGNB-QMMMGPOBSA-N	237.064	-0.204	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccncc1B(O)O	2247873881	NEPZVAUHHRFRSI-XCBNKYQSSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887420	OCFFCWLUAIMIQC-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
CC1(NC(=O)C2CC(B(O)O)C2)CCOCC1	2247893314	PSEZOIAEKQNZSS-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CCOC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898046	ZUUIMWCFGHRAHE-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1COC2(CCC2)C1)[C@H]1C[C@H]1B(O)O	2247898163	AWHIIDIZPJNGGI-XHNCKOQMSA-N	239.080	-0.323	50	10	BBGE	
O=C(NCc1ccncc1F)[C@H]1C[C@@H]1B(O)O	2247899417	NFFSBJCLHWOBCC-YUMQZZPRSA-N	238.027	-0.300	50	10	BBGE	
CC1(C)C[C@H](O)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247899850	QQKGZVVAAKPRKR-VGMNWLOBSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248573201	APQFGGAJYFIXOH-NKWVEPMBSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248573518	FXABQQZTFGWYDL-FXQIFTODSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2248579018	XBMDAFDQOOTTAJ-HTQZYQBOSA-N	241.052	-0.828	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1C[C@@H]2C[C@H]2C1	2249343262	NTCLFEVBVMKJHQ-IUCAKERBSA-N	238.096	-0.003	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2255469320	NPDLNFNPCFARCP-FXBDTBDDSA-N	249.075	-0.170	50	10	BBGE	
COc1ccccc1[C@@H](C)NC(=O)C#CB(O)O	2255470043	XPYBCTZRBUIUGD-SECBINFHSA-N	247.059	-0.112	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)c(C)c1	2255509322	JNYVZUGZPVCCKT-NSHDSACASA-N	245.087	-0.184	50	10	BBGE	
COc1ccc(C(=O)N2CC[C@@H]2C)c(B(O)O)c1	2255527774	RALIQFJIJVJIOE-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
N#CC1=CCN(C(=O)c2ccoc2B(O)O)CC1	2255710407	KFGSJGGACDZNNV-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2=O)ccc1B(O)O	2255736965	XDBRVDQEYXOWIR-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cc(B(O)O)ccc1O	2256016330	GRTFKNOJRSKAKX-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
O=C(Nc1ncco1)c1cc(B(O)O)ccc1F	2263400643	FDTKOKKOOKCFRQ-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	2297953684	VGCVNLZPDBTXLR-ZRUFSTJUSA-N	241.335	-0.296	50	10	BBGE	
O=C(NCC[C@H]1CCCOC1)[C@H]1C[C@H]1B(O)O	2298368934	CKJUZDKDZDSWPW-KXUCPTDWSA-N	241.096	-0.218	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369136	KMHQOWJRIIPGFC-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377519	USINMKNRPQDLSZ-CDLYGTGVSA-N	241.096	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)[C@H]2CC[C@@H]2C1=O	2298435996	SSJFJWHLHRNMIF-DKXJUACHSA-N	237.259	-0.993	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C(=O)O	2298463408	BAEHSUDMQOCRAI-OSMVPFSASA-N	241.052	-0.972	50	10	BBGE	
CC(C)[C@@H](O)C(C)(C)C(=O)NCC=CB(O)O	2301930527	JPOVNCOETILVJA-SECBINFHSA-N	243.112	-0.286	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2302050492	QRDRBTLWUIDIST-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]1B(O)O	2302191809	ZAVXMIMBEYNSHY-MBXMOIHESA-N	239.080	-0.515	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303102846	AUDDAKQBNMBFIY-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CCOCC(=O)NN)[C@H]1C	2304190803	PNFQVCUJVLDTQL-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306256373	KMQATHZVJYXNGS-SVSWQMSJSA-N	239.080	-0.779	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC=C[C@@]1(CO)COC	2306855722	ABHDKTHKZOHUQJ-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1cocc1B(O)O	2313083235	IILGWCLSJGNTQC-HLTSFMKQSA-N	249.075	-0.265	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H](CO)C1	2317164229	XCHSPKPBRXYYFM-DKTWLAJQSA-N	246.075	-0.579	50	10	BBGE	
C[C@@H](NC(=O)C1(O)CC1)c1ccc(B(O)O)cc1	2317931538	JEZKHPXFFJBCJE-MRVPVSSYSA-N	249.075	-0.932	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccncc1B(O)O	2318311100	JKPOVSRYUKGBRH-HOTUBEGUSA-N	248.091	-0.625	50	10	BBGE	
CC[C@@H](C)NNC(=O)C(=O)NN[C@H](C)CC	2000118	PKBZOMMXDJTFRI-HTQZYQBOSA-N	230.312	-0.175	50	10	BBGE	
COCCNC(=O)CN(C)C(=O)[C@H](C)Cl	37832706	YEWCJBVFVFBXGI-ZETCQYMHSA-N	236.699	-0.165	50	10	BBGE	
COC(=O)CNC(=O)CNC(=O)[C@H](C)Cl	41726847	WCZPIHUEHUBVOY-YFKPBYRVSA-N	236.655	-0.981	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1CCO	58845982	DQQFZRPWHLPLAY-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
CC(=O)O[C@@H]1CC(=O)N2CC=C(C=O)[C@@H]12	75617307	AFHHYXYMSTYZHM-SCZZXKLOSA-N	209.201	-0.342	50	10	BBGE	
CC(C)CN1CCN([C@H](C)C(=O)NN)CC1	82468614	JHLMVDVHJXBYKS-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOCC1(C)C	82470275	DZAOVPRAPXMQAJ-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CCc1ccsc1CNC(=O)C(=O)NN	87311125	HPOWEALVYRGSBT-UHFFFAOYSA-N	227.289	-0.083	50	10	BBGE	
CC1(O)CCN(CCCCC(=O)NN)CC1	88023278	IZBRBQIVCQTALU-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@H](N)C2)nc1	94763896	NQVDXNNNUAHOBA-JTQLQIEISA-N	249.318	-0.392	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccnc2=O)nc1	94764100	VSOOBRXCACCGOL-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
CN(CC(=O)NN)CC1(N(C)C)CCC1	165243849	UBNIWSXCRHIMKJ-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
Cc1nccn1Cc1ccc(B(O)O)cc1	203170463	TXBHSURAQBXREJ-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCOC2)cc1F	203555961	REZPWXMAUHTOJN-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
CN1C(=O)NC(=O)[C@H](Br)[C@H]1N	211308028	RCSKDVAJIKZDSY-GBXIJSLDSA-N	222.042	-0.784	50	10	BBGE	
CC(C)(CCl)C(=O)NC[C@@H](O)C(N)=O	228653136	HBADHPLNPFATHU-RXMQYKEDSA-N	222.672	-0.786	50	10	BBGE	
C[C@H](Br)C(=O)NOCC(N)=O	235438764	XLOOYSATMCSWGT-VKHMYHEASA-N	225.042	-0.697	50	10	BBGE	
C[C@]1(O)CCN(Cc2occc2C(=O)NN)C1	235762107	NWOQTAPJMMENGC-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1N(C)C	251705579	JDILUVSTBUELMU-IVZWLZJFSA-N	228.340	-0.506	50	10	BBGE	
O=C(CN1C[C@H](O)CO1)NNc1ccccn1	306116296	YZHPVFPVTIZFNG-QMMMGPOBSA-N	238.247	-0.867	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)[C@@H](CO)C1	306322183	BYUCBIBHCUFMRD-PHDIDXHHSA-N	238.081	-0.807	50	10	BBGE	
Cc1c(S(=O)(=O)N=C=O)cnn1C	306504342	QTDZHUJTMLOAIM-UHFFFAOYSA-N	201.207	-0.247	50	10	BBGE	
O=C(CBr)NCc1ccc(=O)[nH]n1	307035693	VMBSLZIYKOQIMF-UHFFFAOYSA-N	246.064	-0.219	50	10	BBGE	
OB(O)c1cc(F)cc(CN2C[C@H]3C[C@H]3C2)c1	307477092	LVMVOTBBRIMNTC-AOOOYVTPSA-N	235.067	-0.043	50	10	BBGE	
CC(C)(O)/C(=N\NC(N)=O)c1ccon1	308683980	UNDYPEOHROQLKN-POHAHGRESA-N	212.209	-0.182	50	10	BBGE	
CCCN(CC(=O)NN)[C@@H]1CCOC1	308707147	XCFLJMXPVIPFTM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC[C@@H](C)OCOc1cncc(B(O)O)c1	309179886	CBQFKULETPMSGB-MRVPVSSYSA-N	225.053	-0.087	50	10	BBGE	
CCOC[C@@H]1CCCCN1CC(=O)NN	313462906	KYCLSJSAEPSIML-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C2CCC2)CC1	328401685	MPMXSUYMVDQNDE-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSC[C@H](C)C1	380335638	GFLAMRSQTJXLNQ-RKDXNWHRSA-N	247.364	-0.324	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@H](COC)C(=O)NN	380610216	XVTZFDBYRZOUGZ-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
CN(CCC(N)=O)Cc1cc(C(=O)NN)co1	382058433	BUIBUDPUHAPLIR-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
O=C1N[C@H](c2ccc(B(O)O)cc2F)CO1	382645955	XQRJMECHYPIDDN-QMMMGPOBSA-N	224.984	-0.714	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N(CC#N)CC#N	395597947	TWRUEWJEQZGRTI-MRVPVSSYSA-N	223.280	-0.260	50	10	BBGE	
Nc1cc(C(=O)O)c2cc(B(O)O)sc2c1	396237573	GEAYNWOYVISTMA-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CNC(=O)[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	398475318	IJPOHSQAFUDVQD-MRVPVSSYSA-N	242.323	-0.930	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	398836699	JAFFAUDTUMHYBM-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398875272	VWYOVHOWZUVXFA-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CCC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405010210	SRUFQHLTMRCHOY-QMMMGPOBSA-N	221.065	-0.046	50	10	BBGE	
CCCOC(=O)Nc1cccc(B(O)O)n1	405157646	YIVIYQJFMHMNSQ-UHFFFAOYSA-N	224.025	-0.280	50	10	BBGE	
CN(C)C[C@@H]1CCCCN1CC(=O)NN	405187741	KDVMDOWLPINIIN-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@@H](C)[C@@H](C)C(=O)NN	689809079	FDHLFJIBFWDLBC-YWVKMMECSA-N	247.339	-0.670	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)C[C@@H](O)CN(C)C	690197939	FGXQIWXRYVDMMD-YUMQZZPRSA-N	222.716	-0.005	50	10	BBGE	
COC[C@H](CN(C)[C@@H](C)CCC(=O)NN)OC	691289703	ZYPHVNLHMHUCRZ-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
Cc1ccc(NC(=O)C(=O)NCB(O)O)cc1	701932069	OIBINQGDEMNPQH-UHFFFAOYSA-N	236.036	-0.938	50	10	BBGE	
O=C(CC[C@@H]1CCCO1)NCB(O)O	702017595	OJWXJOYPZTXUQZ-ZETCQYMHSA-N	201.031	-0.926	50	10	BBGE	
CC(C)(CN1CC[C@@H](N2CCC2)C1)C(=O)NN	702299302	DGRXUQXDELEQMK-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](N2CCC2)C1	702303355	XCIMMABEJMXLQZ-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
Cn1nncc1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703464641	GZMYWTJRXZICFP-YUMQZZPRSA-N	236.231	-0.769	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	707564838	PWEHLKPHCARDTJ-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@]1(C)CO	723001390	XJXKRUQEXORTDH-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1C2CCC1(CO)CC2	723021639	HYOSURAHXRVWCJ-FKTRJACZSA-N	227.308	-0.256	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H](O)C1CCC1	828778929	IRJWPDUAHJXWJI-MRVPVSSYSA-N	229.280	-0.160	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1	858183570	BGNIKZJPFOQFQE-FSDSQADBSA-N	240.263	-0.996	50	10	BBGE	
CCC(C)(C)[C@@H](O)C(=O)N1CC[C@H](B(O)O)C1	902551642	GSUQRDNQSDBAKM-IUCAKERBSA-N	243.112	-0.141	50	10	BBGE	
CN(C1CS(=O)(=O)C1)S(=O)(=O)CCl	920176300	CUQFLASGTWDRCT-UHFFFAOYSA-N	247.725	-0.759	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)NCC2CC2)C1	1142342733	HAGIYKWKLQLHLD-UHFFFAOYSA-N	225.248	-0.294	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccn2nccc2n1	1464549230	YAFFKOGVHDSKME-UHFFFAOYSA-N	248.246	-0.355	50	10	BBGE	
O=C(NNC(=O)c1n[nH]cc1F)c1ccc[nH]1	1539096975	YELRJMQDIREGSW-UHFFFAOYSA-N	237.194	-0.048	50	10	BBGE	
C=C(CO)C(=O)NNc1ncc(F)cn1	1545848256	USHZZLGWJHXQAF-UHFFFAOYSA-N	212.184	-0.393	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1	1587351236	AZTKIMSAJGHLNI-QMMMGPOBSA-N	235.243	-0.186	50	10	BBGE	
C=CC(=O)N(C)CC(=O)NN=c1cc[nH]cc1	1638328522	PQKFMDVFJNTVLT-UHFFFAOYSA-N	234.259	-0.409	50	10	BBGE	
CCONC(=O)NNC(=O)[C@H]1CCCO1	1671836375	CSYXSDDEVHZEKD-ZCFIWIBFSA-N	217.225	-0.553	50	10	BBGE	
COCCONC(=O)NNc1nnc(C)n1C	1681990527	PPTVNVTWGZSJSE-UHFFFAOYSA-N	244.255	-0.672	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NN	1879973466	KBZQXCRWXUZTMG-ZCFIWIBFSA-N	233.268	-0.891	50	10	BBGE	
CN1CC(C)(C)[C@H]1COCC(=O)NN	1886370286	JYKSAWAHVKBLFK-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)COCCS[C@@H]1CC[C@H]1N	1887486443	RNBCELCJDDTMSB-RNFRBKRXSA-N	219.310	-0.784	50	10	BBGE	
CN1C[C@@H](N(C)S(=O)(=O)CCl)CC1=O	1887641025	DANSMXAIPPAEHH-LURJTMIESA-N	240.712	-0.325	50	10	BBGE	
COCC(=O)N1CC[C@](C)(B(O)O)C1	1891517327	NFYHFLNXRFMIII-QMMMGPOBSA-N	201.031	-0.902	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N(CCO)C1COC1	1893470925	XXPAWEKJEPIPSC-YUMQZZPRSA-N	219.668	-0.167	50	10	BBGE	
O=C(NC[C@]1(O)CCOC1)[C@@H]1C[C@H]1Cl	1893474004	CZTRTRKGWYIKGS-ZXFLCMHBSA-N	219.668	-0.119	50	10	BBGE	
N[C@@H]1COC[C@@H]1NC(=O)C1CC(Cl)C1	1893487091	AGYGCELUWAZOPI-CRYROECRSA-N	218.684	-0.154	50	10	BBGE	
CCCN([C@H](C)CC(=O)NN)S(C)(=O)=O	1893854568	OIVASOCVYMVBGI-SSDOTTSWSA-N	237.325	-0.574	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2CC1(CO)C2	1900043294	LTWZHQATOAJCCT-YUCVTWSNSA-N	227.308	-0.398	50	10	BBGE	
CN(NC(=O)[C@H]1CC12CC(N)C2)S(C)(=O)=O	1901339042	HDTUKPAXWLWBES-KDIYEYIXSA-N	247.320	-0.964	50	10	BBGE	
CNC(=O)Nc1ccc(OC)c(B(O)O)c1	1901348797	OSHBHJSARVXSOU-UHFFFAOYSA-N	224.025	-0.874	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N[C@@H]2CC[C@@H]21	1906856282	ATVVRQNUYPPCQS-HRDYMLBCSA-N	240.307	-0.892	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)CC(=O)O)CC1	1917045030	OXSUHIZKJSHCDD-MRVPVSSYSA-N	223.232	-0.529	50	10	BBGE	
CC1=NO[C@@H](C(=O)NNC(=O)C(F)(F)F)C1	1923435371	KWBKGGFKMQIBAO-SCSAIBSYSA-N	239.153	-0.139	50	10	BBGE	
N=c1nc(CCl)nc(Nn2cnnc2)[nH]1	1928207567	ADDGTPNXPONYEE-UHFFFAOYSA-N	226.631	-0.510	50	10	BBGE	
O=C(CCn1cnnn1)N1CC[C@@H](Cl)C1	1928688081	CBBNODSZIKXGLE-SSDOTTSWSA-N	229.671	-0.097	50	10	BBGE	
CN(C)C[C@@H]1COCCN1C[C@@H](O)CCl	1932752462	ZBXDLTBPXZILDL-ZJUUUORDSA-N	236.743	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](O)CC1	1936094012	JNYDWSYVYWJTQR-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CSC1	1936305849	DTESUKYPRCKYPG-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC(C)(C)CO	1938123341	YUGOHZJAEBSHMT-IUCAKERBSA-N	229.324	-0.437	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@](O)(C(C)C)C1	1945552399	HHTZUKHGNYHLMO-LLVKDONJSA-N	243.307	-0.754	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@H]1C=O	1946672389	FJRCTPRCAKQVOX-WPRPVWTQSA-N	241.291	-0.547	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@@H]1C[C@H]1C(=O)NN)C2=O	1946991449	QGQDOIQEFGTGDA-LLVCWYDASA-N	237.259	-0.993	50	10	BBGE	
CC(C)(CN1C[C@H](O)CC12CCC2)C(=O)NN	1949815876	ARDRMHYOHVWLPE-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
COC1(CO)CN([C@@H](C(=O)NN)C(C)(C)C)C1	1951073732	QEGIAONSISZTQR-QMMMGPOBSA-N	245.323	-0.916	50	10	BBGE	
N[C@H](C(=O)NCC(Cl)Cl)C1COC1	1954517288	RVWICTOPYJCYNQ-LURJTMIESA-N	227.091	-0.120	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@H](C)S(N)(=O)=O	1955559341	PRMQLAZUIKZCRT-NTSWFWBYSA-N	242.728	-0.203	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](N2CC(O)C2)C1	1958208839	ANUPFAFWDNKLRP-YUMQZZPRSA-N	232.711	-0.109	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccon1	1958699255	JWSLPFPSBJAEIF-MRVPVSSYSA-N	212.253	-0.125	50	10	BBGE	
CC[C@H](O)CN(C)CC1(C(=O)NN)CC1	1959511583	SZIMPLYOHNMWKE-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
COCCN(CC(=O)NN)C1CCCC1	1961250231	JBLGOXQJPOEAPW-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
N#CC1(O)CCN(CC=CC(=O)O)CC1	1974574099	RQDBAQNLCGHJPB-UHFFFAOYSA-N	210.233	-0.022	50	10	BBGE	
Cn1ncc(S(=O)(=O)NCC#CCCl)n1	1974779029	LYUVKXOIBCNZSM-UHFFFAOYSA-N	248.695	-0.664	50	10	BBGE	
CCOCC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	1979178896	DIVRRUOTEHMRJU-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1ccc(N2CC3(F)CC2C3)nc1	1981415260	BVFKDAJLHNIFAT-UHFFFAOYSA-N	222.028	-0.548	50	10	BBGE	
Cc1ccnc(O[C@H]2CCOC2)c1B(O)O	1981423452	DOPQXJAMGWFDGH-QMMMGPOBSA-N	223.037	-0.762	50	10	BBGE	
CC[C@H](COC)N(C)c1nc(B(O)O)cs1	1981471390	IXITYIBTBVQARS-SSDOTTSWSA-N	244.125	-0.316	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@]1(C)CCOC1	1982705046	NYRJHEKNIVCDGJ-QXEWZRGKSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@@H]1C(F)(F)F	1986757299	MNAPLVUVIOAHJK-UHNVWZDZSA-N	239.197	-0.319	50	10	BBGE	
NC(=O)NNC(=O)C(F)(F)C1CCOCC1	1986796012	VJIVRTJDSXABPN-UHFFFAOYSA-N	237.206	-0.252	50	10	BBGE	
CO[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	1987754266	SYRTYELZPYALLE-RYPBNFRJSA-N	225.244	-0.062	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NCB(O)O)C12CCC2	1988757680	DSHWOWDJDYRZAW-SFYZADRCSA-N	227.069	-0.680	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@H](C)C1	1990775624	YBCLISFIFGPOCO-MRVPVSSYSA-N	229.280	-0.878	50	10	BBGE	
CC(C)N(CC1CCOCC1)C(=O)C(=O)NN	1997248107	OAIDWCVJLVCREV-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000814838	PMZYRBBXWAJWKN-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
CN1CCN(CC(F)(F)C(=O)NN)[C@@H]2CC[C@H]21	2002913547	BZPCKVLQVIQARF-HTQZYQBOSA-N	248.277	-0.610	50	10	BBGE	
CO[C@@H]1CC(=O)N(CCC(C)(C)C(=O)NN)C1	2003020008	SFLPPMNIWDDRDU-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
C[C@H]1C[C@H](C)CN(c2ncc(B(O)O)cn2)C1	2004912479	UGXSSXSHRXGTIA-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
CN(C[C@H]1CC1(C)C)c1ncncc1B(O)O	2004918595	NMOHMALIOUSENA-MRVPVSSYSA-N	235.096	-0.361	50	10	BBGE	
CCCOCCOc1ncc(B(O)O)c(C)n1	2004930902	YCLKIUPCCHMGKW-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
CC1(C)C[C@@H](Oc2ncncc2B(O)O)CO1	2004934466	FMJYQINNRAABMH-SSDOTTSWSA-N	238.052	-0.897	50	10	BBGE	
CC[C@@H]1COCCN1c1ccncc1B(O)O	2004936429	ZFRMUIGIMFDGMT-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N2CC3(F)CC2C3)c1B(O)O	2004975082	UGNSFBWRQYSAPO-UHFFFAOYSA-N	237.043	-0.844	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H](O)C[C@H]2C1	2012903318	RFPWAEJCXLDLSX-JIGDXULJSA-N	249.261	-0.686	50	10	BBGE	
C[C@H](O)C[C@H]1COCCN1C[C@@H](C)C(=O)NN	2013005815	NQJPPMFVZFNLOJ-UTLUCORTSA-N	245.323	-0.916	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)CCOCC(=O)NN)C1	2014040869	YFWOWHPKKUORNM-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COCC1(CN(C)C[C@H]2C[C@H]2C(=O)NN)CC1	2018962255	HTRIVRFEUWZWNR-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
CCO[C@H]1CCCN(CC(=O)NNC(C)=O)C1	2019212667	LOZWGIPJJGJIGA-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@](C)(CO)C1	2022237077	DJVUWRBKNFSMJW-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1CC12CCC2	2032134260	HBOVLKQHISIXJI-SECBINFHSA-N	246.075	-0.110	50	10	BBGE	
Cc1nc(N2CC[C@@]3(CCO3)C2)ccc1B(O)O	2052621158	COFYUYIMKRNFKM-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CCC[C@H]3C2)n1	2052626874	YECLGFGYQBGSQW-AOOOYVTPSA-N	247.107	-0.299	50	10	BBGE	
CCOc1ccc(B(O)O)c(C)c1C=O	2060142227	YMQHOQSNIMBKMS-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
Cc1cc(B(O)O)c(C=O)c([N+](=O)[O-])c1	2060282902	VVKWHBSLCDOROT-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
NCCCSc1cc(B(O)O)ccn1	2210063943	DVQASXXKBAAXRU-UHFFFAOYSA-N	212.083	-0.798	50	10	BBGE	
C=C(CN1C[C@H](N(C)C)C2(CC2)C1)B(O)O	2211495341	WEGORNGPLFYFTL-JTQLQIEISA-N	224.113	-0.419	50	10	BBGE	
Cc1nn(C[C@H]2CC[C@H]2C(=O)NN)c(=O)o1	2211839445	URXCOCYKACZVMZ-RNFRBKRXSA-N	226.236	-0.839	50	10	BBGE	
C#CCN(CCC)c1ncccc1B(O)O	2212603929	RZLCZWNBWRODBN-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
OB(O)c1cnc(=NCCCCCF)[nH]c1	2212610392	IBJUFCSFKRFILJ-UHFFFAOYSA-N	227.048	-0.870	50	10	BBGE	
C=C(CO)CCNc1ncccc1B(O)O	2212611198	WWYKFFZLWFFSAV-UHFFFAOYSA-N	222.053	-0.888	50	10	BBGE	
C[C@H](CN1C[C@@H](N(C)C)C2(CC2)C1)C(=O)NN	2215133317	MAYLJEMISMYRGX-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)CCN1C	2215774723	DXADNDZAUANUSY-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](F)[C@@H](CO)C1	2215776735	OPWIOOLAFNKSBG-ZYUZMQFOSA-N	245.298	-0.735	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@H](O)CC1	2215778416	ZBGSOLYUQQMRBT-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNc1ncccc1B(O)O	2217173909	UZVGTYNEJJZBKS-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
NC[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2217174430	ZAZAEPZHBRFCFL-JTQLQIEISA-N	235.096	-0.921	50	10	BBGE	
OB(O)c1cnc(=NCCC2(F)CCC2)[nH]c1	2217174952	AWTNVEJJUHIATM-UHFFFAOYSA-N	239.059	-0.728	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c1	2217175897	OWTHLBBKLBSANJ-SNXWAXQRSA-N	230.076	-0.394	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1c1ccc(B(O)O)cn1	2217197048	KCHSIXHHKGYKCY-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncon1	2217201950	GSWROKICAHQKHB-LURJTMIESA-N	234.024	-0.683	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncon1	2217201951	GSWROKICAHQKHB-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
OB(O)c1cccnc1NCc1ccncn1	2217205156	UQHGOJMZKPSQQP-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
C#CCN(CCOC)Cc1cccc(B(O)O)c1	2220060639	YGDYCFKXUKUDIW-UHFFFAOYSA-N	247.103	-0.552	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@H]3C[C@@H]2C3)n1	2222319033	ZUJWJDXINCKNMB-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1c1cc(B(O)O)ccn1	2223637428	FQNBOJOMVXEKTC-VDDIYKPWSA-N	249.123	-0.677	50	10	BBGE	
Cc1cnc(N2CC[C@H](N)[C@H](C)C2)cc1B(O)O	2223653373	QORMLCJCNORVPJ-KOLCDFICSA-N	249.123	-0.757	50	10	BBGE	
Cn1cc(Nc2ncccc2B(O)O)ccc1=O	2223668166	XHWVKRFKIPXGIT-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC23CCOCC3)nc1	2223674233	OGYPDKVVUFOACW-JTQLQIEISA-N	248.091	-0.258	50	10	BBGE	
C[C@@H](CN1CCCC1)Nc1ccc(B(O)O)cn1	2223680128	YXCZCTAQDBTPJN-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
O=C(O)c1scc(B(O)O)c1Cl	2241494010	SPANTPFMFPTTEF-UHFFFAOYSA-N	206.415	-0.221	50	10	BBGE	
CO[C@@H](CCl)CNCC1CS(=O)(=O)C1	2242449325	KHQABWSIGWHTNL-QMMMGPOBSA-N	241.740	-0.126	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccsc1B(O)O	2243359385	RZSNBLIYWXZHNB-ZETCQYMHSA-N	237.089	-0.290	50	10	BBGE	
O=C(Nc1ccncn1)[C@H]1C[C@H](B(O)O)C1	2243381177	DAHGFAPVEIUEAT-LJGSYFOKSA-N	221.025	-0.332	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1C[C@@H]1B(O)O	2243391959	PSJQVLWUZBZSIP-GENCIFFESA-N	221.065	-0.070	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)C[C@@H](C)O1	2243401015	LAYQQDBLEWFXIQ-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
O=C(C#CB(O)O)NCCC[C@@H]1CC1(F)F	2243401275	OTUNBQLTHPQNJA-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243404214	KZRRXOYAAPMXDT-VGMNWLOBSA-N	229.085	-0.628	50	10	BBGE	
O=C(N1CC=C[C@@H]1CO)C1(B(O)O)CCC1	2243411692	YNXQVOOGABTUQM-MRVPVSSYSA-N	225.053	-0.857	50	10	BBGE	
N=c1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c[nH]1	2243426774	LTHZOZNBAUZTQS-BQBZGAKWSA-N	221.025	-0.704	50	10	BBGE	
CN(C)NC(=O)N1CCOCC[C@@H]1C(=O)O	2244009551	LIXJUVKPOTUBGZ-SSDOTTSWSA-N	231.252	-0.652	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC(CCF)C1	2247743125	ZFNWWYSZQKGREQ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(B(O)O)c(C)c1	2247752393	ONVXALDNNNDVRK-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
C#CCC[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247792467	SRWWBPPGRZYEQN-OPRDCNLKSA-N	239.080	-0.870	50	10	BBGE	
CO[C@@]1(C)CCN(C(=O)C2CC(B(O)O)C2)C1	2247796977	FHQQEOYERYWXOE-AMUVOQDHSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCNC1	2247803882	DNEVJFVNNBCPNB-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1B(O)O	2247807371	QWENECOQUIHTFH-NXEZZACHSA-N	234.064	-0.097	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@@H]2CCC[C@H]2C1	2247847359	WEQPZCZPGHSAGJ-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N(C1CC1)C1CC1	2247847364	WFWWITHZBRCBRY-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
N[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)CC1	2247853788	RKDDTZRWCXNALX-DTORHVGOSA-N	240.112	-0.230	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCNC1	2247855619	VISRQVDVLMDYNN-SGIHWFKDSA-N	240.112	-0.646	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCCNC1	2247873084	DJWZTNAFRMLDIJ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2occc2B(O)O)C1(F)F	2247877745	JTLVHMICRJNORO-CLZZGJSISA-N	244.990	-0.657	50	10	BBGE	
C[C@H]1OCC[C@]1(C)NC(=O)C1CC(B(O)O)C1	2247893851	ZMBUEBPERNEDCR-BBRNTIAVSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2247899277	MALJOPLIJQBCBX-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@H]2C[C@@H]2C1	2250000892	OYZZCJBUDQCFLY-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1ccoc1B(O)O	2255461082	BZVLZGOCXIIVSI-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC2(CC2)C1	2255500059	GPACNXRLCBEFMY-UHFFFAOYSA-N	249.050	-0.259	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255559882	OPFYFJFZFDSWER-DTORHVGOSA-N	249.079	-0.312	50	10	BBGE	
O=C(NC1(CC2CC2)CC1)c1n[nH]cc1B(O)O	2255690073	VDNCIQKOSMKAKA-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
CN(Cc1cnccn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2255767073	JKJRLOHADSPPFC-DTORHVGOSA-N	249.079	-0.312	50	10	BBGE	
NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2B(O)O)c1	2255769696	PVKLXBDIWSUWHO-IUCAKERBSA-N	248.047	-0.413	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1O	2256016065	BYJLUXLKGSPEGY-YUMQZZPRSA-N	249.075	-0.542	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H](C)C1CC1	2257494658	NDJBQBJOHQXCRS-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
Cc1ncnc(C)c1C(=O)NCCC#CB(O)O	2258963931	ZJNFPUHXSFWMKJ-UHFFFAOYSA-N	247.063	-0.771	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371356	JJWZSRMMMDHCRL-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@@H]1C2)[C@@H]1C[C@H]1B(O)O	2298376352	TUFHMBSYVILKPT-SJQPAMGKSA-N	239.080	-0.608	50	10	BBGE	
C[C@@H](O)C1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300365946	CPUCZMOBXPETOD-YWVKMMECSA-N	241.335	-0.295	50	10	BBGE	
CCNC(=O)Nc1ccc(OC)c(B(O)O)c1	2301548317	VGVUGYRRDDMCDT-UHFFFAOYSA-N	238.052	-0.484	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)N1CC[C@H](B(O)O)C1	2303111883	NOFGUQVUDKHOLZ-QXEWZRGKSA-N	241.096	-0.266	50	10	BBGE	
CC1(C)OCCO[C@H]1CN1CC[C@H](B(O)O)C1	2303155212	OWUJVUSSHQJRFB-UWVGGRQHSA-N	243.112	-0.271	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303836392	LWOSBFXZVNANBR-MUWHJKNJSA-N	240.043	-0.653	50	10	BBGE	
CCN(CCO)CCCCC(=O)NN	82468827	AZIZVQXCQFJBOO-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC)[C@H](C)C1	82485330	VZXUBLKHXSKEDZ-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1CC(O)C1	84453512	LVCOHCTWRYYBBN-UDNWOFFPSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC(=O)CC1	86313502	WVPGZASSOWMSAI-YUMQZZPRSA-N	213.281	-0.334	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCO)C1CC1	86313651	CNZPFGSELWDALE-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CC[C@H](C)CN(CC)C(=O)C(=O)NN	86440435	PJKUPSKSUCVYRT-ZETCQYMHSA-N	201.270	-0.129	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(C)(O)CC1	88023284	UKICCCJQRVCIGT-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
N[C@@H](CC(=C/C=O)/C=C(\O)C(=O)O)C(=O)O	100623766	FNEGJFDTWWXQES-REONSBJZSA-N	229.188	-0.560	50	10	BBGE	
NC[C@@H]1CCN(Cc2occc2C(=O)NN)C1	111611205	OMIJOZCZERHPQK-QMMMGPOBSA-N	238.291	-0.336	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCOC1	134791031	HVWNUDCPGFTWIW-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)[C@@H](O)[C@H](O)[C@H](O)CCl	138576238	MLQSSVPAOPJIFW-UYFOZJQFSA-N	217.048	-0.884	50	10	BBGE	
CC(=O)COc1ccc(C)cc1B(O)O	199429819	VQJNSUOGEPYHGH-UHFFFAOYSA-N	208.022	-0.357	50	10	BBGE	
N[C@@H]1NC(=O)NC[C@H]1I	201361961	FFHQZGHBRVVMIG-PWNYCUMCSA-N	241.032	-0.612	50	10	BBGE	
OB(O)c1ccc(CSc2ncn[nH]2)cc1	203197828	ADJZHDQBKUDQFZ-UHFFFAOYSA-N	235.077	-0.223	50	10	BBGE	
CCOCCN(C)Cc1cccc(B(O)O)c1	211698164	IDTGJTCIDNLREO-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CCC[C@H](Sc1n[nH]c(=O)n1C)C(=O)NN	211915134	ADVQPLVAYDEFJG-YFKPBYRVSA-N	245.308	-0.641	50	10	BBGE	
COC(=O)N1CC[C@@H](CC(=O)NN)C1	214297074	GOOPPODIHCNJQM-LURJTMIESA-N	201.226	-0.545	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](O)C1	216482241	AXEVCXCSBJUQNV-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CCCN(CC)[C@@H](COC)C(=O)NN	232419074	DBTFRMNOCAKKBI-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC[C@H]1CCN([C@@H](COC)C(=O)NN)C1	232420743	ZCOHXLCZWGDNSK-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC([C@@H](C)O)CC1	234039427	TVWSGWZOBVVPHC-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cn(C)cn1	234551766	XEYZQGSBQACGMR-LURJTMIESA-N	245.666	-0.070	50	10	BBGE	
COc1ncnc2cccc(B(O)O)c12	238436592	JQMHITJRGACQPF-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
O=C(O)C[C@@H](Cl)[C@H]1NC(=O)NC1=O	238623988	YZIARTBNSQTGFS-VVJJHMBFSA-N	206.585	-0.724	50	10	BBGE	
OB(O)c1cc(-c2ccccc2)ncn1	238641924	WRFMCUZGDKPKNK-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1CN(C)C	251711343	YHTKDVZIUPUZSA-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
COC(=O)CCC(=NNC(N)=O)C(=O)OC	254348763	FPNMXJDALLRGCD-UHFFFAOYSA-N	231.208	-0.863	50	10	BBGE	
CCNC(=O)CS[C@@H](CC)C(=O)NN	300903131	WFAQOMHHPQZPHR-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
OB(O)c1ncc(F)cc1C(F)(F)F	306663762	WGMWHNBOAJFVPO-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1)[C@@H]1CCOC1	311037281	UQOXKHCAZIFUBM-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1cccnc1=O	314585297	MNXLFYNOHSOPPS-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
C[C@@H](O)CN(C)Cc1ncccc1C(=O)NN	383126360	IHJAROKVTJMXQZ-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
CNC(=O)CCCOc1ccccc1B(O)O	383493914	URDGSDGZKWDJNO-UHFFFAOYSA-N	237.064	-0.729	50	10	BBGE	
C[C@@H]1[C@H](N=C=O)CCCN1S(=O)(=O)N(C)C	384253580	NJOXYEUUMWZETO-RKDXNWHRSA-N	247.320	-0.019	50	10	BBGE	
C[C@@H](O)CCN(C)Cc1nc(C(=O)NN)co1	386970943	LQDCRLPGUFRICX-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)c1ncn(C)n1	391773346	RLCNOTKRPTXXAS-YFKPBYRVSA-N	245.670	-0.059	50	10	BBGE	
O=C(O)CCc1cccc(B(O)O)c1S	396022680	HXMVEJRRODIZNJ-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
O=Cc1ccc(B(O)O)cc1C(=O)CCCl	396063260	XUGOOLJNOOAUAO-UHFFFAOYSA-N	240.451	-0.010	50	10	BBGE	
C[C@@H]1COCCCN1Cc1ccc(B(O)O)cc1	398956108	VKMHBHGSZBGFCS-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(OC(F)F)C1	399928752	NOKJZFUEMVGXJC-RITPCOANSA-N	237.250	-0.076	50	10	BBGE	
CO[C@H](C)C(=O)NCc1ccc(B(O)O)s1	404964381	BGELQSLDQJUTSX-ZCFIWIBFSA-N	243.093	-0.921	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)s1	405005324	OTCSJXFHYHZNHR-WHFBIAKZSA-N	226.066	-0.583	50	10	BBGE	
CC[S@](=O)Nc1ccc(C)cc1B(O)O	405150604	QRKAXIJUJAPOCN-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
CCN1C(=O)N[C@@H]2NCN[C@H](Cl)[C@@H]21	575624996	DQOCXPFBSXGPOG-ZLUOBGJFSA-N	204.661	-0.559	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	688958847	KMDKZDYHUWIUOV-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](CC(N)=O)C1	690730963	AWDWBLHKQXUNSB-VIFPVBQESA-N	242.323	-0.656	50	10	BBGE	
O=C1CN([C@@H]2CO[C@@H](C3CC3)C2)CC(=O)O1	691930797	ZZNROJBFSKKKME-DTWKUNHWSA-N	225.244	-0.061	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCC(F)(F)C2)n1	694231044	XAPCSYPNJNIITE-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCC(F)(F)C1	702017111	HZEOZIRRVTYTPK-LURJTMIESA-N	221.012	-0.060	50	10	BBGE	
COC[C@H]1CN([C@H](C(=O)NN)C(C)C)CCO1	705868601	BTPRTWGQTFQZGS-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
CN(C)C[C@@H](CCl)N=c1nn[nH]n1C	716691346	QJVZKOASTKCIFC-ZCFIWIBFSA-N	218.692	-0.787	50	10	BBGE	
CC1(CNS(=O)(=O)CCl)OCCO1	716928290	HICWEZPWNZRFHI-UHFFFAOYSA-N	229.685	-0.135	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@]12COC[C@@H]1C2	717998492	RZIGGBKIQOXYNF-PRKAOEEVSA-N	223.228	-0.308	50	10	BBGE	
C#C[C@H](CO)NC(=O)/C(C#N)=C\OCC	854772058	OPSMZWNPPNJJNR-UFGYOYAJSA-N	208.217	-0.459	50	10	BBGE	
CCO[C@H]1[C@@H](C(=O)NNC(C)=O)[C@H]1C	905067985	SIXIJBCXJCYGGD-MHSYXAOVSA-N	200.238	-0.175	50	10	BBGE	
CC(C)C(=O)NNC(=O)C1(CO)CCOCC1	1135735855	TUZBKVDKLGNUFE-UHFFFAOYSA-N	244.291	-0.421	50	10	BBGE	
Cn1ccnc1NC(=O)c1cccc(B(O)O)c1	1142308297	NRNQEHDKCOGTBC-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@H](F)CCNC(=O)NNC(=O)c1ncon1	1251371919	PDQJLRHXYSSIDP-YFKPBYRVSA-N	245.214	-0.238	50	10	BBGE	
CCOC(=O)c1cc(C(=O)NNC(C)=O)on1	1463824603	XFTUXSWDPGXIOP-UHFFFAOYSA-N	241.203	-0.368	50	10	BBGE	
O=C(NNC(=O)c1ccc[nH]1)c1cc(O)ncn1	1623337251	UVMICIVZGRVPIH-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
CC(C)(C)OC(=O)N1CC(F)(C(=O)NN)C1	1879957440	BNCYNLMOLLDIHL-UHFFFAOYSA-N	233.243	-0.065	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@H](Br)C1	1881354104	STNJGNSBJCNYKG-URHBZAFASA-N	235.874	-0.712	50	10	BBGE	
N=c1nc([C@H]2C[C@H]2Br)[nH]c(=N)[nH]1	1881372174	COBYPBQRDJMUHJ-STHAYSLISA-N	230.069	-0.052	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)NC[C@H]1C	1882316207	PQENGVPFNWEWBC-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
CC1(F)CC(C(=O)NNC(N)=S)C1	1882682120	WUIKALNAYOLECB-UHFFFAOYSA-N	205.258	-0.011	50	10	BBGE	
CN1CCN(C(=O)F)[C@@H](C(N)=S)C1	1882788152	UBGXLAAHDSTJOS-RXMQYKEDSA-N	205.258	-0.022	50	10	BBGE	
NCC1(C(=O)NC[C@@H]2C[C@@H]2Cl)COC1	1893107297	LMDAYMIWKKNXOH-BQBZGAKWSA-N	218.684	-0.295	50	10	BBGE	
CN(C[C@H]1CCC1(F)F)C(=O)C#CB(O)O	1899477863	WEFYLEZRZAVPDR-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
C[C@]1(CNS(=O)(=O)CCl)CCNC1=O	1899576979	ASEZMPIXSWZNGW-SSDOTTSWSA-N	240.712	-0.372	50	10	BBGE	
COC1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	1900506075	JOICYWFXQZJHPS-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CN(C)NC(=O)C1CCN(C2CNC2)CC1	1901236941	CGECUHKEUCLGSX-UHFFFAOYSA-N	226.324	-0.737	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnco2)C1	1902522394	QBUQXXJADNSLHE-SECBINFHSA-N	224.025	-0.246	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](F)C1=O)C(=O)NN	1902719136	CQZAKRSLYBGOOJ-OIBJUYFYSA-N	231.271	-0.037	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	1903006758	XXLHROINXSGIAD-SSDOTTSWSA-N	224.044	-0.253	50	10	BBGE	
Cc1cc(N2C[C@@H](C)[C@@H](F)C2)ncc1B(O)O	1907081392	UPHCNUHRVHPOCY-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@@H]1CC[C@H](C(=O)NN)C1	1911014006	TVKWGKHZFHOSHU-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)[C@H]1C	1914345699	JNFWRLKPGPJTHL-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
O=S(=O)(CCl)N[C@@H](CO)CCCO	1928822559	ITPZGAGWZRQXQL-ZCFIWIBFSA-N	231.701	-0.765	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCOC1(C)C	1933165818	GXXVJFJDDAPTLU-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CCN(CCN(C)C)CC(F)(F)C(=O)NN	1935941881	LVGBZMOQAQKRDG-UHFFFAOYSA-N	238.282	-0.505	50	10	BBGE	
COC1(CNC(=O)C(=O)NN)CCCCC1	1936155235	CFXLATGHDIRHRC-UHFFFAOYSA-N	229.280	-0.558	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)S1(=O)=O	1937870388	QEIPMYLWPARFGP-BWZBUEFSSA-N	247.320	-0.964	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)CC1(O)CCCC1	1941087279	MLNLONKOWBOBIC-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN([C@@H](C)CC(=O)NN)C[C@H]21	1944582056	QZBRMUQOMCTQMZ-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1944713871	OPLATWKASKGHDB-DTWKUNHWSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCCCN1CC(N2CCC2)C1	1946876074	JYAIXSHNMBZGSN-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC2)C[C@H]1CO	1949697303	NKQVLCWOIBFGNM-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(C(N)=O)C1	1954241033	ZZKKDJBFAFOKMI-YFKPBYRVSA-N	204.657	-0.053	50	10	BBGE	
CN(C)NC(=O)C[C@]1(O)CCCNC1	1955555879	GVLUXWDOPJDTRF-SECBINFHSA-N	201.270	-0.916	50	10	BBGE	
N#CCS(=O)(=O)N1CCO[C@@H](CCl)C1	1956904143	CLERUBLWRADBCC-ZETCQYMHSA-N	238.696	-0.221	50	10	BBGE	
C[C@H](O)[C@H](CO)N1C[C@@](C)(CCl)C1=O	1957186743	QDYHVXWLALLISH-ACLDMZEESA-N	221.684	-0.185	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1958270568	SDINLSNMYGXWNE-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	1961691406	NZKPNGGELOINBN-MRVPVSSYSA-N	206.054	-0.392	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C(C)C)n1	1961718728	SLPHWYSVEFEBII-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961927299	UBZKPKFSVCHIIT-ZEBDFXRSSA-N	233.695	-0.044	50	10	BBGE	
O=C(c1cnc[nH]1)N1CCC(B(O)O)CC1	1971372942	PIOPLFRBQLEJOW-UHFFFAOYSA-N	223.041	-0.511	50	10	BBGE	
NNC(=O)CN1CC2(CO)CCC1CC2	1975204888	AZQQVYGUKXCFBC-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
OB(O)c1cccnc1OC1CCOCC1	1981429264	BUTXWNATIMLGJB-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]3C2)c(F)c1	1981470391	AYMXNFOOLBFJIP-KNVOCYPGSA-N	222.028	-0.643	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1occc1C(=O)NN	1985742299	LPKJGWHGGDQCHM-SVRRBLITSA-N	225.248	-0.552	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1	1986840850	NASWMPLSPLMEKX-XLPZGREQSA-N	246.694	-0.270	50	10	BBGE	
O=C(CCCl)N1CCN(C2CC2)C(=O)C1=O	1986912956	GLHGBPFRUGKKTD-UHFFFAOYSA-N	244.678	-0.025	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCCCN1CCC2	1986980255	PQXZPTWJQLYGGM-JTQLQIEISA-N	242.348	-0.131	50	10	BBGE	
CCn1nc(C)c(C(=O)NNC(N)=O)c1C	1987618683	LEUVKFUONIOXSI-UHFFFAOYSA-N	225.252	-0.167	50	10	BBGE	
CNC(=O)CN(CC(=O)NC)C[C@H]1C[C@H]1Cl	1991433228	PIVPYBSGLYBUDF-HTQZYQBOSA-N	247.726	-0.592	50	10	BBGE	
C[C@@H]1C[C@@H]1OC[C@]12C[C@](C(=O)NN)(CO1)C2	1993891853	WBKBOOUBFCAOCU-JZSSXWJLSA-N	226.276	-0.050	50	10	BBGE	
COCCOC[C@H]1CCCN1CCC(=O)NN	1996848769	RAUKNZAHQCXJQC-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC=CCN2)CC1	2004079221	RDYUVAGPKVISNH-SNVBAGLBSA-N	235.287	-0.218	50	10	BBGE	
C[C@@H]1CC[C@@H]([C@@H](NC(=O)NN(C)C)C(=O)O)O1	2004879726	CLTMNVVOBCYWGQ-GJMOJQLCSA-N	245.279	-0.217	50	10	BBGE	
C[C@H]1C[C@H](C)CCN1c1ncc(B(O)O)cn1	2004912184	PWGRVYWWJXDCHK-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc2c(OC3CC3)ccnc2c1	2004928248	CHZOESPWJUNBBT-UHFFFAOYSA-N	230.032	-0.149	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2[C@H](CO)C[C@H]2C1	2005991001	LKQYWSICEZFUAX-FXQIFTODSA-N	249.261	-0.828	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CC(F)(F)C(=O)NN	2008786073	SIBDZOHVFDDYCZ-GJMOJQLCSA-N	249.261	-0.279	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1cccc(C(=O)NN)c1	2011371672	CZZIJTNOGDXAMU-KWQFWETISA-N	235.287	-0.145	50	10	BBGE	
Cc1cc(CN2C[C@@H](O)[C@H]2C)oc1C(=O)NN	2011373755	QKTNNTRALDLKAS-VXNVDRBHSA-N	239.275	-0.243	50	10	BBGE	
CCCC(=O)N1CCN(CCC(=O)NN)CC1	2011420383	UBGSEBVGDOYBJC-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
NNC(=O)COCCOC[C@H]1C2C[C@@H]3C1[C@@H]3C2	2016495678	AQKJUKDXYQOZBE-XIYHTJDTSA-N	240.303	-0.089	50	10	BBGE	
C=C(Cn1cnc2c(c1=O)CCCC2)B(O)O	2021159321	QXGPXOOQBDEGKW-UHFFFAOYSA-N	234.064	-0.310	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H](C1)O2	2021434286	JVBUORNLXMJUEX-AOOOYVTPSA-N	234.064	-0.953	50	10	BBGE	
CC1(C)[C@H](O)CN1Cc1cc(C(=O)NN)no1	2023142944	OQDZQMDRORXSCW-MRVPVSSYSA-N	240.263	-0.767	50	10	BBGE	
CN1CC(N(C)[C@@H](C(=O)NN)c2ccccc2)C1	2028803240	AKQNPKGMTLAOMH-GFCCVEGCSA-N	248.330	-0.037	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@H](C)N1C	2052498965	MDAUUAHWQJRYES-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CCC[C@@H]32)n1	2052623292	HHIJSZAGONBYFW-ZJUUUORDSA-N	247.107	-0.238	50	10	BBGE	
CC1(C)CC[C@@H]1n1cnc2c(B(O)O)ncnc21	2055737697	LAOGRUPDGJMYLC-ZETCQYMHSA-N	246.079	-0.133	50	10	BBGE	
Cc1ccc([N+](=O)[O-])c(B(O)O)c1C#N	2060305299	HPRCHSSNLPITKS-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@H]2CCC[C@H]21	2068482703	LAWVHMRYWKDPQJ-FXPVBKGRSA-N	247.107	-0.219	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC[C@@H]3C[C@@H]23)c1B(O)O	2071007685	BTGVVZPNQPSRQO-KXUCPTDWSA-N	248.091	-0.110	50	10	BBGE	
Cc1ccc(NC(=O)c2ncc[nH]2)c(B(O)O)c1	2077800124	ANBPNHFXLDWKCL-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC=C[C@H]1CF	2082874290	SXRPBBUQCCPMKN-NSHDSACASA-N	249.050	-0.284	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1ncccc1B(O)O	2212600700	FMNHPOSZABBWBM-JGVFFNPUSA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1cccnc1NCc1cscn1	2212614865	HVMACTHNWYIFHX-UHFFFAOYSA-N	235.077	-0.170	50	10	BBGE	
C[C@H](COc1ccccc1B(O)O)CN(C)C	2212986271	HOEPKWQKZIVNMS-JTQLQIEISA-N	237.108	-0.057	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNc1ccc(B(O)O)cn1	2217179324	JJUGSOZLYJJEAR-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
C[C@H](CCO)CCN=c1cc(B(O)O)cc[nH]1	2217179805	OPPRPKDFAGGKSS-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
CC[C@H](O)CN(C)c1cc(B(O)O)c(C)cn1	2217179910	CYQSBDZTZOTJLK-VIFPVBQESA-N	238.096	-0.723	50	10	BBGE	
OB(O)c1ccnc(NCCC2(O)CC2)c1F	2217181441	PYHJQRRGLKHLOE-UHFFFAOYSA-N	240.043	-0.773	50	10	BBGE	
CC(C)[C@@H](N)CNc1nccc(B(O)O)c1F	2217182098	ZBBUOBGXTBQOKP-QMMMGPOBSA-N	241.075	-0.704	50	10	BBGE	
C[C@]12C[C@](Nc3cc(B(O)O)ccn3)(CO1)C2	2217184824	WTBSSJGOOZIUIG-XYPYZODXSA-N	234.064	-0.505	50	10	BBGE	
CC1(C)C[C@H](Oc2cc(B(O)O)ccn2)CN1	2217185935	DGGOTVAUUZQMHI-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
NCC1(COc2cc(B(O)O)ccn2)CCC1	2217196983	WEZROEDFXALEDG-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
COC[C@H](Nc1cc(B(O)O)ccn1)C1CC1	2217198946	IJIABKQXKGOZRA-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
N[C@@H]1CCCCN(c2cc(B(O)O)ccn2)C1	2217200143	QYPDWWAKHDRKLA-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2217202677	YRKKWFRCGORSLH-CUJWVEQBSA-N	233.080	-0.387	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC=CCC1	2217411326	RXLAPUZKDOCXRA-VIFPVBQESA-N	234.064	-0.721	50	10	BBGE	
NCC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220070829	FUVQUDPYEFPKLX-LLVKDONJSA-N	248.135	-0.463	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C1CCNCC1	2223634209	HRLUDAKXMYSEMT-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
OCC1CC2(CCN2c2ncccc2B(O)O)C1	2223644693	MMEIXKVKEQLMTD-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC=CCC2)c1	2223667581	TUKXDVJOAODQTI-UHFFFAOYSA-N	247.107	-0.565	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(c1cc(B(O)O)ccn1)C2	2223667601	QXSSNCGGMAWNAE-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
CN1C(=O)[C@H](F)C(=O)N(CCCl)C1=O	2241379610	NBCCQGBJCQFFSX-BYPYZUCNSA-N	222.603	-0.016	50	10	BBGE	
O=C(N[C@H]1C[C@H](Br)C1)c1nn[nH]n1	2242415804	PINQHSWLCMYNRD-JPYJGEKTSA-N	246.068	-0.145	50	10	BBGE	
CCN(OC)c1nc(OC)ccc1B(O)O	2243095370	YRHGKNPMTLXAOJ-UHFFFAOYSA-N	226.041	-0.842	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C#CB(O)O)[C@H](C)[C@H]1C	2243357230	TWDPNMZVRCFAJS-BIIVOSGPSA-N	223.037	-0.969	50	10	BBGE	
C[C@@H](O)C(C)(C)CNC(=O)C1(B(O)O)CC1	2243364337	VLJZGKQDSZKIKS-SSDOTTSWSA-N	229.085	-0.483	50	10	BBGE	
CCN(C)C(=O)c1ccc(C)cc1B(O)O	2243366876	JZTWSPIDBMNIEA-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
N#CCN(CC#N)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382777	RVWRGLXVKOKBHZ-OCAPTIKFSA-N	221.025	-0.885	50	10	BBGE	
CCOCCNC(=O)c1cc(B(O)O)cs1	2243386364	YWHWMACPAADIBF-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
CC#CCCNC(=O)c1cscc1B(O)O	2243411510	VBIVZXLYMLSGKA-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C(=O)C1CC(B(O)O)C1	2243413244	CBNOMBUQDOPHEH-KRTGUUSXSA-N	227.069	-0.779	50	10	BBGE	
Cc1csc(C(=O)N2CC(F)C2)c1B(O)O	2243413971	QXQYAVKNNLKWNB-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
C#CCC(=O)Nc1cc(B(O)O)ccc1C	2243685193	OVSJSGVDZUBOGJ-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
O=C(O)/C=C\CNC(=O)C1(B(O)O)CCC1	2243755382	LZLHCMUTAQZRAF-IWQZZHSRSA-N	227.025	-0.860	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247755890	LNKQDJSVIXJABZ-BDAKNGLRSA-N	240.112	-0.373	50	10	BBGE	
CCC[C@@H](CO)CNC(=O)C1CC(B(O)O)C1	2247797299	IIFFIWHDFCYJTO-XNWIYYODSA-N	243.112	-0.236	50	10	BBGE	
CC(C)C[C@H](CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247803246	ADGRLWYLLGVTOC-LPEHRKFASA-N	243.112	-0.380	50	10	BBGE	
CCN1CC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247806008	COQVYOLWPQISAU-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CCN(CCF)C(=O)c1ncccc1B(O)O	2247847508	YFKBHUKHJDPTOS-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
CC(C)(F)CNC(=O)c1cncc(B(O)O)c1	2247855063	MUZPELMPKAEOEE-UHFFFAOYSA-N	240.043	-0.761	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@H]1COC2	2247887030	JJFSKDNGRZFOLF-AATLWQCWSA-N	239.080	-0.371	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247896204	YCDCAKSPPKWBHK-IGORNWKESA-N	239.080	-0.467	50	10	BBGE	
O=C(Nc1cccc(CO)c1)[C@@H]1C[C@@H]1B(O)O	2247897326	QURTXZDDKOQMLN-ZJUUUORDSA-N	235.048	-0.020	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247897654	VRYSDBSWYPOUTK-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
CN(C)CCC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899701	PLKMYTWCBQEQLV-UWVGGRQHSA-N	240.112	-0.741	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2247900238	VEXMPOHZHJDEPO-RTZQGMDZSA-N	235.092	-0.038	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2248476829	WVOWUJSYQDMVAH-DJLDLDEBSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248578113	QFHJGHFVJJWJQO-WMXYBCMPSA-N	247.031	-0.833	50	10	BBGE	
CO[C@H]1CC[C@H]1C(=O)N1CCC(B(O)O)CC1	2249344098	WGALWZHJFCINEK-ZJUUUORDSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCCC12CC2)c1cc(B(O)O)c[nH]1	2255464935	CUOZLHZGHJVBIO-SNVBAGLBSA-N	248.091	-0.243	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255517359	CCGWKOVMBCXHIX-SOCHQFKDSA-N	248.091	-0.464	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1cncc(B(O)O)c1	2255521066	RLCUCGSPWFKFRI-BXKDBHETSA-N	246.075	-0.566	50	10	BBGE	
COC(=O)c1cccc(NC(=O)C#CB(O)O)c1	2255673620	RIADJGQRIPFQIQ-UHFFFAOYSA-N	247.015	-0.573	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@H]1C[C@@H]2C[C@@H]2C1	2255676659	UPMJICRGQUAAJA-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1cncc(B(O)O)c1	2255736117	GXOFTIHREWSIDU-URLYPYJESA-N	246.075	-0.853	50	10	BBGE	
Cc1cnn(C2CN(C(=O)[C@H]3C[C@@H]3B(O)O)C2)c1	2255764881	IUNKBZYRRNDDFI-UWVGGRQHSA-N	249.079	-0.562	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](C2)[C@H]3O)c1	2258312970	RUMAETYMLHIRNE-PTEHBNRSSA-N	247.103	-0.821	50	10	BBGE	
CCn1nc(C)cc1C(=O)NCCC#CB(O)O	2258958092	DUYBOWJQJKSLPE-UHFFFAOYSA-N	249.079	-0.653	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371268	FRCUPUAXESWWKB-ZYUZMQFOSA-N	241.096	-0.364	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2NCC[C@H]21	2298377651	YOGFKKXFVOXEJP-DOLQZWNJSA-N	238.096	-0.798	50	10	BBGE	
CCN(C[C@@H](C)C(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2298463715	WRSKSQRXCXFYKP-BWZBUEFSSA-N	243.068	-0.582	50	10	BBGE	
CCN(C[C@@H](C)C(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298463716	WRSKSQRXCXFYKP-PRJMDXOYSA-N	243.068	-0.582	50	10	BBGE	
O=C(N1CCOC[C@@H](F)C1)C1(B(O)O)CCC1	2299875199	IYDFTUWXNVQMMD-QMMMGPOBSA-N	245.059	-0.420	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1(CO)CC1	2301344980	AKNGIUVZRXOBLB-UHFFFAOYSA-N	232.048	-0.825	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1	2303103065	CGZCORHKTFUHMP-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)N2CC(F)(F)C2)C1	2303150022	HPPLMVZPAWQDLX-MRVPVSSYSA-N	248.038	-0.004	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@H](F)C2)c1B(O)O	2307274211	HKRIEVSJIKIOHK-ZKCHVHJHSA-N	240.043	-0.408	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(B(O)O)c[nH]1	2312848133	OAJSNRFLOJOJOY-QXFUBDJGSA-N	246.075	-0.611	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@H]2C[C@H]3O)c1	2315491237	LOQKTAIWRVJVMS-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CC[C@@H]1O	2317151576	SEKQNFQURLKEPM-UFBFGSQYSA-N	246.075	-0.579	50	10	BBGE	
O=C1C[C@](C(=O)O)([C@@H](Cl)C(=O)O)O1	13740341	KHOAAJFHOVXXID-BBIVZNJYSA-N	208.553	-0.551	50	10	BBGE	
CC(=N\NC(N)=O)/C(C)=N/NC(N)=O	35288056	NBHBGHGRRAYZOQ-LQIBPGRFSA-N	200.202	-0.925	50	10	BBGE	
Nc1nc2c(c(=O)n1N)CC[C@H]2Br	39630561	MULFLBSRRJQJFG-SCSAIBSYSA-N	245.080	-0.079	50	10	BBGE	
CC(C)N(CCCO)C[C@@H](C)C(=O)NN	82470879	ARFHGLSFDMTPJD-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CCn1nc(C)cc1C(=O)NNC(N)=O	85166238	ZWCVCTGVFQMANZ-UHFFFAOYSA-N	211.225	-0.475	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(c2ccccn2)CC1	110570841	SFKUEKKUSXYFGF-JTQLQIEISA-N	249.318	-0.418	50	10	BBGE	
N#CCNS(=O)(=O)CBr	127351462	CXHSRLDVUZCFCD-UHFFFAOYSA-N	213.056	-0.218	50	10	BBGE	
CN(C)NC(=O)c1ccncc1C#CCN	149873546	VCTGMUNRYPLWTK-UHFFFAOYSA-N	218.260	-0.402	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C1CCNCC1	212039780	OTMGJGPJIQRGIO-JTQLQIEISA-N	228.340	-0.171	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@@H](C(=O)NN)C(C)C	223200131	KTCKAHIFVSJHRY-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CCO)C1	229247891	DEQAODNRPYOROP-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](Sc1ncccn1)C(=O)NN	232421306	SGJPLFSGTZWYOS-LURJTMIESA-N	228.277	-0.426	50	10	BBGE	
CCOC(=O)NNC(=O)[C@](C)(N)C1CC1	236906027	SREFTGONLHXWSD-SECBINFHSA-N	215.253	-0.109	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](CO)CCCO	238419535	KFVAHYQTIGEXPP-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
CCS(=O)(=O)C1=NC(C#N)=CS1(=O)=O	260137180	RDJVUGKHKXZODT-UHFFFAOYSA-N	234.258	-0.430	50	10	BBGE	
COC1(C(=O)NN(C)C)CCNCC1	306170884	YHMVUBRULMAQAC-UHFFFAOYSA-N	201.270	-0.652	50	10	BBGE	
C[C@H]1COCCCN1[C@@H](C)C(=O)NN	306628699	BXQIHDZFLGBTQK-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
OB(O)c1cc(O)c2cc(O)sc2c1	307000549	BCGODEMCEXZUAC-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1ccc2sc(O)c(O)c2c1	307272336	TXQMMBUREPZSRC-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CCNC(=O)[C@H]1CCC/C1=N/NC(N)=O	308690123	KEPUJQLFRTZQIG-RXJHUVBLSA-N	212.253	-0.053	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H]1CCC[C@H]1C	309113046	KIABTWMHLQVODJ-VXNVDRBHSA-N	213.281	-0.068	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1C1CCNCC1	382646822	ZNWIZBVOIZEEAU-UHFFFAOYSA-N	230.076	-0.295	50	10	BBGE	
CCOC1CN([C@H](C(=O)NN)C(C)C)C1	383059712	RJAJUDBCUFBFAS-VIFPVBQESA-N	215.297	-0.278	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)n1cnc(C#N)n1	396000296	ZKANUQZPSXHPNJ-SSDOTTSWSA-N	222.252	-0.273	50	10	BBGE	
Nc1c(CO)ccc2scc(B(O)O)c12	396248815	QMYINYXGEAPFNV-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN([C@H](C)CC(=O)NN)C1	398640456	AMQWLVQBGZTHBX-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)CCCC(=O)NN	399992083	UUYIJHAAUVMHIB-GLEZIHRCSA-N	235.353	-0.545	50	10	BBGE	
C[C@@H](CN(C)[C@H]1CCCOC1)C(=O)NN	401601639	DZFIHUYRQFMPEU-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN1CCN(CCBr)[C@H](CO)C1	642846010	CGYHFTMLYKQEBQ-QMMMGPOBSA-N	237.141	-0.010	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSC[C@H]1CCO	689850630	OKFMMDCMVMJFIR-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cnccn1	694995657	SIJFRFQCDKYVAB-LURJTMIESA-N	243.650	-0.013	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1COC2)C(=O)NN	695048106	DQHSBJRAMHGQMM-CIUDSAMLSA-N	213.281	-0.524	50	10	BBGE	
CNCCCN(C)[C@@H](CC(C)C)C(=O)NN	695101687	OMCVLZQYGPIDMF-JTQLQIEISA-N	230.356	-0.068	50	10	BBGE	
CCn1nnnc1CN[C@@H]1COC[C@@H]1Cl	697735583	VKFZBFSZEUMNTA-NKWVEPMBSA-N	231.687	-0.211	50	10	BBGE	
Cc1nn(C)c(C)c1CC(=O)NNC(N)=O	700872907	ZQOPDEPGWYCZBQ-UHFFFAOYSA-N	225.252	-0.721	50	10	BBGE	
O[C@@H](CCl)Cc1nnc2n1CCOC2	701513388	LRWNLZXMLOSOPR-ZCFIWIBFSA-N	217.656	-0.050	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](N2CCC2)C1	702300591	MJRBVBVSZKEYCG-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
CCN(C)C(=O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703425314	RHFNDLZTWSMKCU-YUMQZZPRSA-N	240.259	-0.619	50	10	BBGE	
CNNC(=O)C[C@H]1CCS(=O)(=O)C1	704643239	BVIBLGWYBDAZIM-ZCFIWIBFSA-N	206.267	-0.938	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC2(CCC2)O1	717086841	DPFHEQDKLIUXLB-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
O=C(NCc1cnc(B(O)O)s1)C1CCC1	718873286	IDMSSUDXKJOZEQ-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
C[n+]1[nH]ccc1[S@+]([O])(=O)NCCCl	725595205	RDBHEZBGEXMDDG-CYBMUJFWSA-O	224.693	-0.214	50	10	BBGE	
Cc1c(C(=O)NNC(=O)[C@H]2C[C@@H]2C)nnn1C	743340025	XJKCESLNPKFXRA-FSPLSTOPSA-N	237.263	-0.459	50	10	BBGE	
CCCC(=O)NCC(=O)NN(C)CCOC	816562357	IIAWABBQCWTGKJ-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
COC1(C(=O)NNC(=O)NC2CC2)CC1	843774899	JBKZTWXUSFMDCT-UHFFFAOYSA-N	213.237	-0.342	50	10	BBGE	
CCn1nnc(C)c1C(=O)NN(C)CCOC	848377952	GAQBOKROBDBTAN-UHFFFAOYSA-N	241.295	-0.171	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2(C)CC2)nn1	855188764	UMWVKMAFNATFQD-UHFFFAOYSA-N	223.236	-0.624	50	10	BBGE	
Cc1[nH]c(C#N)cc1C(=O)NN(C)C(N)=O	1596547722	WJKOHKGXEDPFTA-UHFFFAOYSA-N	221.220	-0.150	50	10	BBGE	
CNNC(=O)[C@H](CO)NC(=O)OC(C)(C)C	1879958737	WSMZMWODHQZYMI-LURJTMIESA-N	233.268	-0.877	50	10	BBGE	
N=C(NN)NC[C@H]1C[C@@H]1Br	1880107604	NQCMTAIVSVMTFD-DMTCNVIQSA-N	207.075	-0.243	50	10	BBGE	
O=C(CBr)NC1([C@H](O)CO)CC1	1881137244	FNIKDOZICUMACO-RXMQYKEDSA-N	238.081	-0.617	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1(CO)CC1	1886374016	FGOQNUSKXLYAFD-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
O=C(NCCOC1CNC1)[C@@H]1C[C@H]1Cl	1887448020	XIISQHDWBXROKO-HTQZYQBOSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)NN(C)C)C(=O)O	1888156054	PQURJYMCZFOHJN-WHFBIAKZSA-N	207.205	-0.427	50	10	BBGE	
O=C(CCCl)NCC[C@@H](O)CCO	1893418905	GPKVURZRXVREEU-SSDOTTSWSA-N	209.673	-0.135	50	10	BBGE	
O=C(N[C@@H]1CNCC[C@@H]1O)[C@H]1C[C@H]1Cl	1893460207	CEANUULWJKDVKA-OSMVPFSASA-N	218.684	-0.547	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CNC(=O)C1	1893497251	DNFDILPOAHANTK-WYPBCBNTSA-N	216.624	-0.687	50	10	BBGE	
COC[C@@H](CO)NC(=O)/C=C/C(=O)Cl	1893498069	OUIMVRJCEBICRB-YRFDSLTASA-N	221.640	-0.569	50	10	BBGE	
CS[C@H](C)C(=O)Nc1ccc(B(O)O)cn1	1899656763	GTUBUYUOFPPAJG-ZCFIWIBFSA-N	240.093	-0.549	50	10	BBGE	
C[C@@H](NC(=O)c1cnsc1B(O)O)C1CC1	1900452264	QIZGXDDMPPAZRO-RXMQYKEDSA-N	240.093	-0.649	50	10	BBGE	
CC(C)=C(CN1CC[S@@](=O)[C@H](C)C1)B(O)O	1901703200	UKFYCIARUYOTSU-JDNHERCYSA-N	245.153	-0.212	50	10	BBGE	
CC(C)=C(CN1CC[C@@H](C)S1(=O)=O)B(O)O	1901721791	VODOBPHUZQBFOJ-MRVPVSSYSA-N	247.125	-0.241	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H]1C(N)=O	1901763797	MWSQSJUELAMRGG-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
CC[C@](C)(CN1CCC[C@H]1CO)C(=O)NN	1902716764	WUWVHWNZNVFMSJ-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@@H](O)C[C@H]2C1	1908743374	YJJLXIATLWGDKF-HPENLJRUSA-N	239.319	-0.685	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CC#N)C1	1915062131	AUQBPSMSHHAPHS-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
COC(=O)[C@H](N)CC(=O)N1CC=C(C#N)CC1	1917050237	HLEZXTHVXCDFNT-SECBINFHSA-N	237.259	-0.441	50	10	BBGE	
CC(C)[C@H](CO)SCCOCC(=O)NN	1928316880	JBNGGTGFKVDTKO-QMMMGPOBSA-N	236.337	-0.257	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1C[C@@H](CCl)C1	1928698940	UFKNOIQOUDXCJL-KNVOCYPGSA-N	229.671	-0.193	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CCl)c1cnn[nH]1	1928740627	HHURNUGOVANZPP-CAHLUQPWSA-N	230.655	-0.212	50	10	BBGE	
CN(C[C@@H]1CCCO1)C[C@@H]1C[C@H]1C(=O)NN	1936088372	MPXZPFYLVSNQBD-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1936089170	APGKXBZMJODNGG-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1937987291	QNAKDIBTROFYBH-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1nncs1	1938078407	XXISZIBNSVGCEY-PHDIDXHHSA-N	239.256	-0.046	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1CCCC(=O)NN	1938471661	CESBVNFBZHQUGW-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CCNO2)CC1	1938689910	BHPLQJFPSUQUHG-QMMMGPOBSA-N	225.248	-0.843	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CCCCC(=O)NN	1939641105	LLMBUXGSOJINCI-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1N(C)C	1941083713	SSKUFWLKWNSCKE-MMWGEVLESA-N	240.351	-0.506	50	10	BBGE	
CN(CCN1CCCC1)C[C@H]1C[C@H]1C(=O)NN	1941086132	HJXSFJVAVFOGPR-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
CN(C)NC(=O)NCc1cc(C(=O)O)n(C)n1	1941181872	FLKHHZPOVPENCA-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
NNC(=O)CCN1CCOC[C@H]1[C@H]1CCOC1	1941373143	ODHJDWNJPAOXKL-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C(=O)Nc1nccc2ccncc12	1943906976	SZFZWXZOTKAALJ-UHFFFAOYSA-N	231.215	-0.442	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1948374119	KWNPODNDKUGORE-AXFHLTTASA-N	240.351	-0.362	50	10	BBGE	
CO[C@H]1CCCN(CCOCC(=O)NN)[C@@H]1C	1949587033	AIRJOVGQKNPIIJ-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CCN1C[C@H](O)[C@H](N2CCC(O)(C#N)CC2)C1	1950683072	SMHNLWSQJXTDMX-MNOVXSKESA-N	239.319	-0.598	50	10	BBGE	
NNC(=O)NC[C@@H]1COCCC1(F)F	1955001252	WYBRRHSVDGYKIU-RXMQYKEDSA-N	209.196	-0.169	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1CCl)[C@@H]1CCS1(=O)=O	1955089149	AZJACJGSLZZAKP-QYNIQEEDSA-N	237.708	-0.083	50	10	BBGE	
Cn1cc([S@@](C)(=O)=NC(=O)NN)cn1	1955605697	ARSMPKNGJUJWKY-CQSZACIVSA-N	217.254	-0.540	50	10	BBGE	
NC(=O)[C@H]1CCCCN1C[C@H](O)CCl	1956255679	CCVWAGLHKHUHEX-HTQZYQBOSA-N	220.700	-0.074	50	10	BBGE	
CN(C)NC(=O)N1CC([C@@H](F)C(=O)O)C1	1957703750	MPXMMHTZYQUNBX-ZCFIWIBFSA-N	219.216	-0.473	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCCOCCN	1961087327	OBEJDMMCKUIKOB-HTQZYQBOSA-N	235.353	-0.291	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	1961240129	RFQNJTTZHJTEHF-YUMQZZPRSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@@H]2CC[C@@H]21	1961655592	WWHQHQSTVUUUCC-GJMOJQLCSA-N	211.265	-0.329	50	10	BBGE	
C[C@]1(C(F)F)CC(=O)N(CC(=O)NN)C1	1962293043	CTZMBZMNMDUSBN-QMMMGPOBSA-N	221.207	-0.520	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1974595496	JRUXPFMXLZQUIW-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]2C[C@@H]2CO1	1975316732	VGJLARFXFLTXPL-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
CN(C)NC(=O)N1CCC(C(=N)NO)CC1	1978786412	PZWGFSWFJUFLKK-UHFFFAOYSA-N	229.284	-0.159	50	10	BBGE	
CCON(C)Cc1nn(C)cc1C(=O)NN	1980594788	VFZCAHAIRAKJEN-UHFFFAOYSA-N	227.268	-0.593	50	10	BBGE	
CN1C(=O)N[C@@H]2CN(C[C@@H](O)CCl)CC[C@H]21	1981052991	CVSAXEGIBBESQS-DJLDLDEBSA-N	247.726	-0.316	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCOC2)ccc1F	1981500716	PLVOPSWWAOQMRS-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC=C[C@@H]1CO	1983180985	JWTQZZWXTCLDKI-BDAKNGLRSA-N	227.308	-0.376	50	10	BBGE	
C[C@@H](CN1[C@H](CO)[C@H]2CC[C@@H]1C2)C(=O)NN	1984193159	NICPCHMYEHPDFI-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC=C[C@H]1CO	1985647829	CLLJQHLMLQEMAE-UWVGGRQHSA-N	227.308	-0.376	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cnc(C(=O)NN)s1	1985739618	FAFUTGJLMZAGPB-IYSWYEEDSA-N	242.304	-0.688	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCN2CCOC[C@@H]2C1	1986930777	LXCWCJXGURHOKW-IUCAKERBSA-N	248.710	-0.305	50	10	BBGE	
O=C(NCB(O)O)[C@]12CCCCN1CCC2	1986979177	FTHWGMQQYIJMGT-SNVBAGLBSA-N	226.085	-0.867	50	10	BBGE	
CCO[C@H](CNC(=O)C(=O)NN)C1CCC1	1987906370	ITEBZUCARLUTAT-MRVPVSSYSA-N	229.280	-0.702	50	10	BBGE	
CSC1CN(c2ncc(F)cc2B(O)O)C1	1988005990	UHUPUVKHBSNSJO-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@H]1CNCCO1	1991650694	FABHNLKNGKFXQO-MRVPVSSYSA-N	246.694	-0.197	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@@H]1Cl	1991681316	ZLXCNDGXAHPEEF-BDAKNGLRSA-N	239.467	-0.068	50	10	BBGE	
CN1CCOC[C@H]1CNC(=O)/C=C/C(=O)Cl	1991705960	KPAPLUYONXIPHP-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CN2CC[C@H]1C2	1996734734	SKGRYENHXASMBN-YUMQZZPRSA-N	248.277	-0.753	50	10	BBGE	
CCN1CCN([C@@H](C)[C@@H](C)C(=O)NN)CC1=O	1996756656	VNRGXNKENVTRHI-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
O=C(CC1CC(F)C1)N[C@@H](CB(O)O)C(=O)O	1998138786	ZWCTWFQWTIMTDL-AHXFUIDQSA-N	247.031	-0.833	50	10	BBGE	
CON(C[C@H]1C[C@@H]1C(=O)NN)C1CCOCC1	2000669939	JUBRQOQZHCEHDZ-SCZZXKLOSA-N	243.307	-0.345	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1[C@H](CC)C(=O)NN	2003620088	YQSIGMLSACTMPU-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](n2cccn2)C1	2004326630	KRQGVKMQVQYARL-QMMMGPOBSA-N	237.263	-0.964	50	10	BBGE	
OB(O)c1ccccc1CN1CCO[C@H]2C[C@@H]21	2004486097	HNLRZBRAIQARBE-RYUDHWBXSA-N	233.076	-0.661	50	10	BBGE	
C[C@]12CC[C@@H]1CCN2c1ncc(B(O)O)cn1	2004911138	CYFGYTYHMHHTKQ-KCJUWKMLSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@@H]3C[C@H]3C2)nc1	2004929420	KVOQNIJPQPRQTH-KHQFGBGNSA-N	234.064	-0.276	50	10	BBGE	
CCOC[C@@H](C)Oc1ncnc(C)c1B(O)O	2004936368	YMKIZZAVFBMHKX-SSDOTTSWSA-N	240.068	-0.731	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2ncccn2)n1	2005008178	SWMSOESHZGIOCP-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	2008728119	PMKDNZFZTLQOJD-ZDCRXTMVSA-N	241.335	-0.154	50	10	BBGE	
O=C(NCCc1cccc(B(O)O)c1)C1CC1	2008785338	LSDSAYQNOKMVQL-UHFFFAOYSA-N	233.076	-0.565	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)O[C@H](CCO)C1)C(=O)NN	2009339142	QKROWHGSXWVSEQ-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)[C@H]1C[C@H](O)C1	2009405255	WUWQAOJQNOBNLL-ZKCHVHJHSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cccc(C(=O)NN)n1	2011376196	XKWFBDCJIBDZRH-XCBNKYQSSA-N	236.275	-0.750	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2(CC2)CO1	2014924350	KLMJIUIXVGYMQJ-UHFFFAOYSA-N	238.027	-0.568	50	10	BBGE	
CO[C@H]1CN(c2ccncc2B(O)O)CC12CC2	2052468495	DLKXGHXLYAPUKE-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ncncc1B(O)O	2052469934	XHUVFOKWZCJERA-OWUUHHOZSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2COC[C@@H]2C1	2052493765	FIYARCLTAJRESY-ZJUUUORDSA-N	248.091	-0.766	50	10	BBGE	
CCN1CCN(c2ncccc2B(O)O)[C@H](C)C1	2052498388	CPABTVMABJNEQJ-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
COc1nc(N2C[C@H]3CC[C@H]3C2)ncc1B(O)O	2052619786	JVPQIPSYIXVQCZ-OCAPTIKFSA-N	249.079	-0.989	50	10	BBGE	
O=C(NCC#CB(O)O)C1(c2ccccc2)CC1	2077491846	FRSDWDIUBNLUOG-UHFFFAOYSA-N	243.071	-0.150	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H](C)[C@H]3C2)ncc1B(O)O	2085518086	BQHMOKHCRQLFBF-UJNFCWOMSA-N	247.107	-0.443	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1CCCCl	2209482417	YTQIZHHYTKBXCD-HLTSFMKQSA-N	223.700	-0.332	50	10	BBGE	
OB(O)c1csnc1Cn1cccn1	2209702949	NSYCIKYACIDGLL-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
CC1CC(C)(Nc2ncc(B(O)O)cn2)C1	2212603539	PIFMDGPEQLLDAM-UHFFFAOYSA-N	221.069	-0.243	50	10	BBGE	
C[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2212605857	LBRBMRXYOTVVBB-ZETCQYMHSA-N	224.044	-0.253	50	10	BBGE	
CC(C)[C@H](C)Cn1cc(B(O)O)cnc1=O	2212715282	KCTKGYGRUFEZRK-MRVPVSSYSA-N	224.069	-0.785	50	10	BBGE	
C[C@@H](CN(C)c1ccc(=O)n(C)c1)C(=O)NN	2213163666	AAGHQKUGDZLPRP-QMMMGPOBSA-N	238.291	-0.553	50	10	BBGE	
COC1(CF)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215772879	QORMDNVCDBZTJZ-IUCAKERBSA-N	245.298	-0.327	50	10	BBGE	
CC[C@H]1NCC[C@H]1Nc1cc(B(O)O)ccn1	2217178443	WEBJINZJIBGKRC-NXEZZACHSA-N	235.096	-0.686	50	10	BBGE	
Cc1cnc(NC[C@@H](C)N(C)C)cc1B(O)O	2217179823	OVDDENSYYCAMMB-SECBINFHSA-N	237.112	-0.568	50	10	BBGE	
C[C@@H](CN)CCCOc1ncccc1B(O)O	2217182854	DAPUXDLJACKLEY-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
CN[C@H](C)CCOc1nccc(B(O)O)c1F	2217188856	UXDASPSEDBQBRE-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCCCNC2)c1	2217192237	GWKOSRNZFAMEAP-SNVBAGLBSA-N	236.080	-0.718	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1[C@H]2CCC[C@H]12	2217196130	CVNHJXTVCBDJAM-UWVGGRQHSA-N	232.092	-0.004	50	10	BBGE	
CO[C@H]1C[C@H](CNc2cc(B(O)O)ccn2)C1	2217199070	AGWHAYBKVNSHMR-CZMCAQCFSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)CN[C@H]1CNc1cc(B(O)O)ccn1	2217201542	YPQMTHBXIYQIHM-VIFPVBQESA-N	235.096	-0.829	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cn1)C1CSC1	2217201829	RVZSDOGLAGBJJI-UHFFFAOYSA-N	248.116	-0.684	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nc1	2217202061	UOJBPJCWASFCLV-BBBLOLIVSA-N	234.064	-0.649	50	10	BBGE	
OB(O)c1ccnc(N2CCCC[C@H](O)C2)c1	2217203749	ZWVNPWMZEDTKPL-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
CN(C)C[C@@H]1CCCN1c1cc(B(O)O)ccn1	2223634380	JZSBGWPVUGPYLB-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(OC[C@H]2C=CCCN2)cc1B(O)O	2223647364	XCUBAMHGZXNHRL-SNVBAGLBSA-N	248.091	-0.633	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@H]1Oc1ccc(B(O)O)cn1	2223664524	WJMOJTDXYWOJSV-ONGXEEELSA-N	248.091	-0.590	50	10	BBGE	
NC1CCC(CNc2ncccc2B(O)O)CC1	2223673234	FAYJQADMCPBYFV-UHFFFAOYSA-N	249.123	-0.309	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CCC1	2241468442	OJYHVUBWYZGWOP-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
O=C(Nc1nncs1)[C@@H]1C[C@@H]1B(O)O	2241480526	MEAAPJUVSJYOSA-DMTCNVIQSA-N	213.027	-0.661	50	10	BBGE	
OB(O)c1ccnc(N2O[C@H]3CC[C@H]2C3)c1	2243002276	PQTLKUYXGFSDHS-IUCAKERBSA-N	220.037	-0.566	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1nscc1B(O)O	2243347497	MQEYMNCMBYATFM-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
COC[C@@H](CNC(=O)C#CB(O)O)C(C)C	2243350314	ZCUJKCJUCCZDLC-SECBINFHSA-N	227.069	-0.963	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1sccc1B(O)O	2243356027	AHCUBOYWEMANQD-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2243364615	ZWYSDERMUZTWFO-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)C(=O)C1(B(O)O)CC1	2243365962	VLFZJUHKGZPCFD-GYKQLYQFSA-N	247.125	-0.781	50	10	BBGE	
O=C(Nc1nccnn1)C1CC(B(O)O)C1	2243391909	OPNFYMKGXFWEFK-UHFFFAOYSA-N	222.013	-0.937	50	10	BBGE	
C[C@H](N)CCCNC(=O)C1CC(B(O)O)C1	2243397056	UXFVBAMZAVVQRS-UEJVZZJDSA-N	228.101	-0.517	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CN1	2243397212	XGIUNDLLZOCZSX-DFAZKQQPSA-N	226.085	-0.894	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)C#CB(O)O)C1	2243400209	XJWIYTJXGDFQKX-VIFPVBQESA-N	225.053	-0.972	50	10	BBGE	
O=C(C#CB(O)O)N1CC(F)(F)C(F)(F)C1	2243400239	XXRBSTDFJUXLQB-UHFFFAOYSA-N	238.933	-0.885	50	10	BBGE	
CC(C)[C@H](NC(=O)C#CB(O)O)C1CCC1	2243404194	KSWDKCOXGGDKRD-NSHDSACASA-N	223.081	-0.057	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1csnc1B(O)O	2243410924	KJLPQAGKPRREOO-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
C#CCONC(=O)c1scc(C)c1B(O)O	2243415378	SZAZUVZXLLEJMB-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243420775	ZGFCLASCSDAMQO-DJLDLDEBSA-N	229.085	-0.628	50	10	BBGE	
C#CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2243427010	OUPMPEBTSAQQRK-UWVGGRQHSA-N	221.065	-0.136	50	10	BBGE	
C[C@](F)(C(=O)NCC#CB(O)O)C(F)(F)F	2243702742	SFRZAPCVGJBKPD-LURJTMIESA-N	240.949	-0.592	50	10	BBGE	
NCC1(Oc2cc(B(O)O)c(Cl)cn2)CC1	2245912482	AMPPFOWQTBYYMJ-UHFFFAOYSA-N	242.471	-0.715	50	10	BBGE	
CN(C[C@@H]1C(F)(F)C12CC2)C(=O)C#CB(O)O	2247739057	YKORBEMCQWVSRL-ZETCQYMHSA-N	243.018	-0.495	50	10	BBGE	
C#CC[C@@H](CN(C)C(=O)C#CB(O)O)C1CC1	2247743342	CEAWPGBHQZPJRW-NSHDSACASA-N	233.076	-0.490	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1CO)C1(B(O)O)CC1	2247753485	HPFJBIPGPLIKRX-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787430	OZRWUGWLXMTKLL-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](F)C2)oc1B(O)O	2247788335	DEQCIJNOKJSONE-SSDOTTSWSA-N	241.027	-0.548	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247791622	NWSALMZFNYQOAX-AATLWQCWSA-N	240.112	-0.504	50	10	BBGE	
O=C(NC[C@@H]1CCCCO1)C1CC(B(O)O)C1	2247797980	PDHRFAACXIWSIQ-RTBKNWGFSA-N	241.096	-0.075	50	10	BBGE	
CN(C)C1CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247806964	PGVGAMGQXNAQLA-HORUIINNSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)NCC1(C2CC2)CC=CC1	2247847819	BYVUZKMDKQEYPF-UHFFFAOYSA-N	233.076	-0.136	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)C1(B(O)O)CCC1	2247853071	FYLCESBAZQRJBJ-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
CN1CC2(C1)CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247860007	QNZSNJWOGUGFIS-KYZUINATSA-N	238.096	-0.987	50	10	BBGE	
CCC(C)(C)NC(=O)c1nn(C)cc1B(O)O	2247873032	CPBMYNAGHGMNJP-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N(C)CCF	2247874938	QSQGILFTCWQPLQ-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CNC1	2247896194	XZKHRSIPOORXSL-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
NCC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247900585	YCETUPUBXAIJCN-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ccc(B(O)O)cn1	2248443053	LYGRFJFHLFWJLN-MRVPVSSYSA-N	232.048	-0.641	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2248585099	GMQYQKSBMSZVES-CSMHCCOUSA-N	243.068	-0.534	50	10	BBGE	
O=C(O)CCC1CN(C(=O)C2(B(O)O)CC2)C1	2248585323	JMKZVZNCJUMNIY-UHFFFAOYSA-N	241.052	-0.683	50	10	BBGE	
CC12CC(CN1C(=O)c1cc(B(O)O)co1)C2	2249418659	WZJSJXJFLDBULS-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C#CC[C@@H](C(=O)NCCC#CB(O)O)C1CC1	2250003195	UYTSUPMQSHZVTE-LLVKDONJSA-N	233.076	-0.442	50	10	BBGE	
C#C[C@]12C[C@H](CCN1C(=O)[C@H]1C[C@@H]1B(O)O)C2	2251016399	YWGKKEPRKAUISD-QFOLPQNPSA-N	233.076	-0.136	50	10	BBGE	
CON(CC1CC1)c1cc(C)c(B(O)O)cn1	2251017811	DOGDOROMLNOXQF-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
CC[C@@H]1NCC[C@H]1Oc1cc(B(O)O)ccn1	2251025305	UEPFVHAFUMJTDV-VHSXEESVSA-N	236.080	-0.719	50	10	BBGE	
C#C[C@@H](NC(=O)c1coc(B(O)O)c1)C(C)(C)C	2255457382	BWRRTHZTDZLHRO-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1ccoc1B(O)O	2255465386	JYCKQNDTVUGPRA-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1ccc(B(O)O)o1	2255467987	USCPYMDKQQNMIM-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
CC=CCCCNC(=O)c1ncccc1B(O)O	2255521538	XMHJMEHUOUHEPX-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255714249	NYSXNWBEXWIVLG-LLVKDONJSA-N	248.091	-0.368	50	10	BBGE	
Cc1ccc(CNC(=O)C2(B(O)O)CCC2)nn1	2255739176	GCJHLCZERPPZBB-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1occc1B(O)O	2255746372	UJZOLMPANSKVEA-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1O	2256018392	MOVMRMZJGSSGGJ-QMMMGPOBSA-N	249.075	-0.282	50	10	BBGE	
C#CCOCC(=O)Nc1cc(C)ccc1B(O)O	2256679111	IQWWDXRKNDAOLY-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1cocc1B(O)O	2258128070	NQORSEMTBZYTKA-GZMMTYOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1cocc1B(O)O	2258131750	YMXGKSIGQBOMEI-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1CC2)c1cc(B(O)O)n[nH]1	2260549725	DNWHKCIHXIAXOS-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)[C@@H]2CC[C@@H]21	2298375651	UIUBRULMSYXPKZ-FHNUBNKASA-N	239.080	-0.779	50	10	BBGE	
COc1ccc(NC(=O)C(F)F)cc1B(O)O	2301527222	SFYAODJKHRZTIT-UHFFFAOYSA-N	244.990	-0.421	50	10	BBGE	
COC[C@@H](OCc1ccncc1C)C(=O)NN	2301849957	DPVKWMJATGBYBC-SNVBAGLBSA-N	239.275	-0.088	50	10	BBGE	
CCO[C@]1(CN2CC[C@H](B(O)O)C2)CCOC1	2303096405	FGGMRQBHTPXKIF-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H](OC)C1	2306805459	TVANYFRLELXVRR-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
OC[C@@]12CC[C@@H](C1)N(c1cc(B(O)O)ccn1)C2	2314907958	DLPPCILULFOEMY-JQWIXIFHSA-N	248.091	-0.887	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1ccc(B(O)O)cc1C#N	2317206293	MYROINYOSKTWQE-MRVPVSSYSA-N	248.091	-0.257	50	10	BBGE	
C[C@@H](NC(=O)Nc1ccnc(B(O)O)c1)C1CC1	2317588204	BXWLEDUFRMYRFV-SSDOTTSWSA-N	249.079	-0.319	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCCc1cccc(B(O)O)c1	2319253557	WELOWJXMGIUOBY-LBPRGKRZSA-N	245.087	-0.399	50	10	BBGE	
N[C@@H](CC[C@H](Cl)[C@@H](N)C(=O)O)C(=O)O	13542298	UZCHFKQDEKHHGI-VAYJURFESA-N	224.644	-0.802	50	10	BBGE	
O=C1CCN(C(=O)NC(=O)CCCl)CCN1	62101154	YZDSWAIFBJNSFD-UHFFFAOYSA-N	247.682	-0.327	50	10	BBGE	
N#Cc1ncn(Cc2ccc(C(=O)NN)s2)n1	110603430	LOHRSTWWVZTXTO-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
CN1CCC[C@H](N2CC(=O)OC(=O)C2)C1	111218008	MESDKMDZKLGTJX-QMMMGPOBSA-N	212.249	-0.534	50	10	BBGE	
CCN1CCC[C@@H](N2CC(=O)OC(=O)C2)C1	111218123	KNRDQIQXVIKOPF-SECBINFHSA-N	226.276	-0.144	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	123113284	SJWPVFWYNJPBON-LDYMZIIASA-N	241.291	-0.870	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[C@@H]1O	127608309	GZUUZTVHLYFEGA-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)CCCC(=O)NN	134790081	RXLFYSUCDFEZKK-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)c1cc(C)n[nH]1	178009727	PYTVWTXHEPPQMP-UHFFFAOYSA-N	240.263	-0.096	50	10	BBGE	
CCCCOC(=O)c1cc(N)cc(B(O)O)c1	202099258	JXRMTPCXQSTKID-UHFFFAOYSA-N	237.064	-0.095	50	10	BBGE	
CC[C@@H](N)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228744044	UKLOBLRTOKQKPK-HLTSFMKQSA-N	247.364	-0.006	50	10	BBGE	
Cn1nccc1CCOc1cncc(B(O)O)c1	230766921	FYNPAPKFZGSYFZ-UHFFFAOYSA-N	247.063	-0.884	50	10	BBGE	
CCOC(=O)c1nnn(CC(N)=O)c1CCl	231853096	WNFMQJRUZVWYIY-UHFFFAOYSA-N	246.654	-0.321	50	10	BBGE	
O=S(=O)(CCCl)N1CCOC[C@H]1CO	232301595	NBJCWSHSLVNGKR-SSDOTTSWSA-N	243.712	-0.752	50	10	BBGE	
C[C@@H](Br)C(=O)N1CCNC(=O)C1	235128449	QGIYJSLGYZXZFE-RXMQYKEDSA-N	235.081	-0.272	50	10	BBGE	
Cn1nnc(Cn2cc(CCCl)nn2)n1	236156384	FXGYDCNOYRICTJ-UHFFFAOYSA-N	227.659	-0.369	50	10	BBGE	
O=C[C@H](O)[C@H](Cl)[C@@H](O)[C@@H](O)CCl	238677353	GNXNPUPKMQGBAM-BXKVDMCESA-N	217.048	-0.886	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C=O)CC1	243095251	IYUZIDGLOWQZOC-SSDOTTSWSA-N	204.657	-0.086	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]([C@H](C)O)C1	252761701	GSOKMSPPQIXHGX-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
CNNC(=O)COC[C@@H]1CCN(C)C1	259071733	YEKJYOONKYNUNF-MRVPVSSYSA-N	201.270	-0.795	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NCCBr	307738469	IBNDNMJIRKZHPI-CRCLSJGQSA-N	225.086	-0.794	50	10	BBGE	
CCC[C@@H](C)NCC(=O)NNC(C)=O	308621551	UECZUDFRPHAXKR-SSDOTTSWSA-N	201.270	-0.068	50	10	BBGE	
OB(O)c1cccc(OCCN2C[C@H]3C[C@@H]3C2)c1	380352593	QHIRPBVGSQDPCN-GHMZBOCLSA-N	247.103	-0.303	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@](C)(CO)C1	381383391	PWQDNSPLDRONFF-ATZCPNFKSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)CCC(N)=O	381928717	ULYNNDBTKOAABW-YFKPBYRVSA-N	235.671	-0.343	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1[C@H](C)CC(=O)NN	381962749	HQPMGAAFONPWJD-KXUCPTDWSA-N	228.340	-0.221	50	10	BBGE	
CN(C)CC1CN(Cc2ccc(B(O)O)cc2)C1	382254697	FSCSWVTXNLELAM-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C(N3CCCC3)[C@H]2C1	395294667	ZRKIEOKHLLVLHQ-UTLUCORTSA-N	238.335	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@H](N3CCCC3)[C@H]2C1	395294668	ZRKIEOKHLLVLHQ-ZNSHCXBVSA-N	238.335	-0.609	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@](C)(O)C1	395812258	LRLUMOGRTCGRGC-LDYMZIIASA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(B(O)O)cc1C=O	396062823	XAZNZTDBTRIIIY-ZCFIWIBFSA-N	240.451	-0.011	50	10	BBGE	
Nc1c(C(=O)O)sc2ccc(B(O)O)cc12	396239319	JAQOKMFLZPMFDH-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC(C)NC(=O)c1cccc(B(O)O)c1F	504776150	OVSDHTIFSKZMSU-UHFFFAOYSA-N	225.028	-0.356	50	10	BBGE	
N=C1NCNN2CC[C@@H](Br)[C@H]12	605644622	TWBRWZUYUVFXOT-RFZPGFLSSA-N	219.086	-0.133	50	10	BBGE	
C[C@@H]1CCCN([C@H](C)CC(=O)NN)[C@H]1CO	688738122	PFXUTJIWHBWGGS-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2COC[C@H]2C1	690721849	ISVCEHNDEXKFKU-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
CCN(C)C(=O)CN1CCC(O)(C#N)CC1	692090064	GMINBLXUZARHOC-UHFFFAOYSA-N	225.292	-0.185	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)OCCl	692831358	CUTCJEHIVKGOMW-SCSAIBSYSA-N	211.601	-0.557	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2O	693088860	IWMFPTAQZIHIBY-XFWSIPNHSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2cnccn2)c1	693557059	IFGMIIGCTQFYCV-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
COC1(CCn2cc(B(O)O)cn2)CCC1	694563148	XZKKKLMQHKFNDJ-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CCCO	695080069	VIMALIDQZHIDDK-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
NC(=S)NNC(=O)[C@H](O)c1ccccc1	700852528	JAMHNEMFBWLULY-SSDOTTSWSA-N	225.273	-0.416	50	10	BBGE	
CCn1cc([N+](=O)[O-])cc1C(=O)NCB(O)O	702023512	QTSGTBXMDNEFQO-UHFFFAOYSA-N	241.012	-0.842	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)C[C@H]1CO	705321233	YHDOYELTWUDLNV-BQBZGAKWSA-N	247.682	-0.155	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC(C(F)F)C2)O1	706488749	XASLMEPKGUWDET-YUMQZZPRSA-N	249.261	-0.279	50	10	BBGE	
CCn1nnnc1S[C@H](C)C(=O)NN	706552288	GUTZZFMVCHFCPO-SCSAIBSYSA-N	216.270	-0.837	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)C(=O)NN)CCS1	707277576	BTMTZDRTVVOGFE-SSDOTTSWSA-N	231.321	-0.424	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CSC[C@H]2C1	711525785	NEQIRIZZUKRNTR-OCAPTIKFSA-N	215.322	-0.339	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718168441	WRZMBBHRUSNCCS-DAWVFNFOSA-N	239.319	-0.136	50	10	BBGE	
COCCOc1cc(B(O)O)ccc1C#N	719754546	KKRZNPYPCRINTC-UHFFFAOYSA-N	221.021	-0.737	50	10	BBGE	
CC(=O)NC[C]1SC=C[C@H]1B(O)O	725595814	DIDJIEDBXHZCHE-ZCFIWIBFSA-N	200.048	-0.242	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCOC[C@@H]1O	725628032	BEYCIJVBQDKQGB-VQVTYTSYSA-N	207.657	-0.120	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNC(C)=O)C1	854155108	FQTZBCOLGODUDU-JGVFFNPUSA-N	200.238	-0.031	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)[C@@H]1COCCO1	859768176	IYGYDBZTLZRESO-KAIZJQOQSA-N	240.259	-0.651	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NCC	900385994	IIZGTGSFJICJNC-CWVDAHFDSA-N	201.226	-0.726	50	10	BBGE	
CC1(CC(=O)NNC(=O)C2CC2)COC1	929231139	BSJGGXOKJSZMGK-UHFFFAOYSA-N	212.249	-0.030	50	10	BBGE	
Cc1nsc(C(=O)NN(C)C(N)=O)n1	1116886134	GMVMBGRFINIYPV-UHFFFAOYSA-N	215.238	-0.498	50	10	BBGE	
Nc1nnc(CC(=O)NNC(=O)C2CC2)s1	1135308728	LHJNYLKAPGZCTN-UHFFFAOYSA-N	241.276	-0.780	50	10	BBGE	
COc1cc(O)ncc1C(=O)NN(C)C(N)=O	1137625069	CQNSMFMCVKEOIF-UHFFFAOYSA-N	240.219	-0.549	50	10	BBGE	
O=C(NNc1cccnn1)c1nsnc1O	1295476449	SVWABDOPLJYNCH-UHFFFAOYSA-N	238.232	-0.209	50	10	BBGE	
C[C@H](C(=O)NNC(=O)CO)C(=O)OC(C)(C)C	1306820918	ONSSRGPHHWTGPZ-ZCFIWIBFSA-N	246.263	-0.896	50	10	BBGE	
COc1nc(C(=O)NNC(=O)N(C)C)co1	1334955359	QGGNIDILKXNNLB-UHFFFAOYSA-N	228.208	-0.401	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1ncc(F)cn1	1466131366	GKPOCWFBRLRQSO-XDVGHUOJSA-N	226.211	-0.004	50	10	BBGE	
CCNC(=O)NNC(=O)C1(CO)CCOCC1	1625729516	ZSXBYDYGSWLDJM-UHFFFAOYSA-N	245.279	-0.874	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC(O)(COC)C1	1637538673	UJRCCXJMINJJLK-UITAMQMPSA-N	240.259	-0.350	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)CO)CCCCO1	1641424267	SOZPGKVOVITFLO-SECBINFHSA-N	216.237	-0.915	50	10	BBGE	
O=C(CCl)NCCN1CC[C@H](O)C1	1865982734	PAGOYOPNNYWWEK-ZETCQYMHSA-N	206.673	-0.592	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@@H]1C[C@H]1Br	1877391968	MVXPVNGLKAUBJL-PHDIDXHHSA-N	249.108	-0.026	50	10	BBGE	
NS(=O)(=O)C[C@H]1CCCN1C(=O)F	1882788346	WSYYEYXGTSYJIQ-RXMQYKEDSA-N	210.230	-0.171	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC([C@H](O)CO)C1	1887281289	NXXNJDXZUDLYRD-POYBYMJQSA-N	221.684	-0.185	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1CCN(C)C1	1888051264	VONNNVPRDUYOCQ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@@H]1COCC1(F)F	1897198343	GWNHATQIIRZRDA-RRKCRQDMSA-N	236.218	-0.337	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@@H]2CNC[C@@H]21	1897219380	KOSLBFXGZPVCQI-JGVFFNPUSA-N	244.678	-0.493	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3C[C@@H]3CO2)C1	1902505870	MMCHOVRQJNUHBU-ZDCRXTMVSA-N	225.097	-0.040	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]3CC[C@@H]32)n1	1902639603	SIMCMNTVSNIFBB-SFYZADRCSA-N	238.121	-0.193	50	10	BBGE	
CC[C@](C)(CN(C)C[C@@H](C)CO)C(=O)NN	1902714729	XVSLYGZBNMQMQB-MWLCHTKSSA-N	231.340	-0.047	50	10	BBGE	
C[C@H](C[C@@H](C)C(=O)NNCCO)C(=O)O	1910363832	KIQCUBWDUZGUOC-RNFRBKRXSA-N	218.253	-0.654	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	1910621256	MEWFMGHKCINUSD-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154706	IASMRYGBNJNLFA-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1C[C@H]1C(=O)NN	1927914212	RQQAKDDEZOUQKM-DJLDLDEBSA-N	215.297	-0.827	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)CC(C)(C)O	1927914639	WNDKETPHIOHBGT-SFYZADRCSA-N	215.297	-0.685	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2C(CO)[C@@H]2C1	1929054134	GUODDQDCOOFIGT-RNFRBKRXSA-N	239.724	-0.275	50	10	BBGE	
CC[C@H](CN)SCCOCC(=O)NN	1934333718	MUHYPVZJQLGUJU-SSDOTTSWSA-N	221.326	-0.537	50	10	BBGE	
CC1CC(CN(C)CCOCC(=O)NN)C1	1936535472	SNOFMOIOHMDLOH-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@]2(CCO2)C1	1938672520	CHFNMBZYYPTONX-IQJOONFLSA-N	225.292	-0.523	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](CO)C2(CC2)C1	1941088319	PPDUZZQYFQENFV-OPRDCNLKSA-N	239.319	-0.683	50	10	BBGE	
COCC1(OC)CCN(CCC(=O)NN)CC1	1946474871	QCRKKAOUSSEPAQ-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C(F)(F)C12CCCC2	1948043380	IBBSZBGZWYPCTQ-LURJTMIESA-N	247.245	-0.082	50	10	BBGE	
C[C@@H]1Oc2ccc(B(O)O)cc2NC1=O	1951335684	FSVBPMFFJZENPE-YFKPBYRVSA-N	206.994	-0.914	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1NC(=O)CCCl	1957175019	JACZJUWCCFTYAX-VDTYLAMSSA-N	220.656	-0.626	50	10	BBGE	
C[C@@H]1CO[C@@H](CN2CC(=O)OC(=O)C2)C1	1957584462	OHFHRLGFUZFLPJ-JGVFFNPUSA-N	213.233	-0.203	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1COCCC1(F)F	1957693313	IFUFJOHOOIAYRG-SCSAIBSYSA-N	223.179	-0.642	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC(C)C)n1	1961694657	RDNBXMZKMYNWTK-UHFFFAOYSA-N	210.042	-0.440	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)CCS1	1961718776	TVVFUOCCBBRDNZ-LURJTMIESA-N	244.150	-0.235	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2ccnc2)n1	1961725126	WJHLNLKSPCCQGK-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC1(C)CN(CCF)CCN1C(=O)NN	1962437575	XFXMTNOCGNMHND-UHFFFAOYSA-N	218.276	-0.065	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	1974556719	KZAFPSQZWWBYMU-BWZBUEFSSA-N	219.260	-0.983	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1CNC(=O)C(=O)NN	1974823956	DVSNLASEEMIUFZ-RNHFCUEFSA-N	221.207	-0.616	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H](C)C(F)(F)C1	1975915688	LBBAFHJDAKYXGU-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](CCF)C1	1979205619	OKFNBHZEBWCQPI-BDAKNGLRSA-N	233.287	-0.327	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCSC1	1980768110	LZTUGTNOSSFZAQ-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CSCCN(C)c1ncc(B(O)O)c(C)n1	1981446784	DDCWHBGBZIWSCM-UHFFFAOYSA-N	241.125	-0.736	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C)(F)C1	1981469244	PENAAXFUUWSIEX-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCN2CCOC[C@H]2C1	1986930778	LXCWCJXGURHOKW-RKDXNWHRSA-N	248.710	-0.305	50	10	BBGE	
C[C@H](NC(=O)N(C)C)c1nscc1B(O)O	1987175965	RYYPCOXDLOXKIJ-YFKPBYRVSA-N	243.097	-0.845	50	10	BBGE	
COC(=O)c1nnn(CCC(N)=O)c1CCl	1988544014	AHSUUUFOSCYESW-UHFFFAOYSA-N	246.654	-0.321	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(CC(=O)NNC(C)=O)C2	1990774567	KRHDFNSLAVTCJM-KOLCDFICSA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC2(CC2)C1	1990777151	VLVKDLQVSFGOKK-UHFFFAOYSA-N	227.264	-0.982	50	10	BBGE	
NCCn1cc(C(=O)NC[C@H]2C[C@@H]2Cl)nn1	1991443913	XTMWFDDHLSIEOR-RQJHMYQMSA-N	243.698	-0.406	50	10	BBGE	
CN(CCO)CCN(C)C(=O)C=CC(=O)Cl	1991648643	RBYXWJOITMKBDA-UHFFFAOYSA-N	248.710	-0.310	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(=O)N[C@H]2CC[C@@H]21	1991713129	PCWRGLJJHFUGAN-FWDZIHJBSA-N	242.662	-0.203	50	10	BBGE	
C[C@H](N)CSCC12CC(C(=O)NN)(CO1)C2	1993884667	WTCGHGXGKCNPQF-WFRXLMHJSA-N	245.348	-0.394	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)C1(C2CC2)CC1	1998134609	FWWVGNVMTQHKDW-SSDOTTSWSA-N	241.052	-0.781	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@@H](C3)C2)nc1	2004911591	IVNLYPYDXGKTIP-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]1C(F)(F)F	2004917386	BXNSMNLPUFKJAC-MRVPVSSYSA-N	245.997	-0.098	50	10	BBGE	
CCCOCCCOc1ccc(B(O)O)cn1	2004951177	KVWVBGMRYCNLQP-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
OB(O)c1cnc(N2CCC2)c(C(F)(F)F)c1	2004972372	DXMLBIXOQCBDKC-UHFFFAOYSA-N	245.997	-0.010	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCN(C2CCC2)C1	2005216625	KLQXATFOBLYSRX-QMMMGPOBSA-N	240.307	-0.891	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006196413	BELWGYRHFOEIKN-CHWFTXMASA-N	241.335	-0.175	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@@H](O)[C@H]1C2	2008869472	APWFZMGQGXTGFD-BWZBUEFSSA-N	249.261	-0.543	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCOCC2=O)C1	2010833122	OUMQQPCBXMHFIH-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@]12C[C@@H](CO)C2	2011131831	HUYJXMGQDCYMMM-DNRKLUKYSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCC(=O)N(C)C1)C(=O)NN	2014819920	CFFZKIAAFPNZIQ-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016371036	SJIJGUSVYCLGOQ-SXLYUPOASA-N	239.319	-0.421	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1ccncc1B(O)O	2016811894	INXFUNRGYIJAHF-DTWKUNHWSA-N	238.071	-0.197	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](C2CC2)C1	2019213409	VSJAUEDHVGBTMD-SNVBAGLBSA-N	241.291	-0.736	50	10	BBGE	
CN1CCC[C@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020057319	STGZWNHFGXEESZ-UWVGGRQHSA-N	238.096	-0.702	50	10	BBGE	
C[C@H](C(=O)Nc1ncc(B(O)O)cn1)C1CCC1	2040766964	LBSVJFARCPERRN-ZETCQYMHSA-N	249.079	-0.469	50	10	BBGE	
CCCN1CCN(c2ccncc2B(O)O)CC1	2052485953	AKNOBQHASFNICO-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3[C@@H](C2)C3(C)C)c1B(O)O	2052557772	AMALWCKNLPALRU-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
CCc1cc(OC)cc(B(O)O)c1C=O	2060168129	FZVLMGMLRKSXHK-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
Cc1cnc(N2O[C@H]3C=C[C@H]2CC3)c(B(O)O)c1	2077856552	WCOSEVNMLYZRQT-UWVGGRQHSA-N	246.075	-0.091	50	10	BBGE	
O=C(NCc1cnoc1)c1ccc(B(O)O)cc1	2079012762	ZGCFDBMCXOWAQI-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=S(=O)(NO)N1CCC(Cl)CC1	2209094968	AOQQQGCSQXPXMF-UHFFFAOYSA-N	214.674	-0.087	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1CC[C@H]1C(=O)NN	2211827495	IFVCSISROJWGAF-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
C[C@]1(CO)CCN1CC1(C(=O)NN)CCC1	2212244980	DUEFDHATCZVZBT-SNVBAGLBSA-N	227.308	-0.397	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCC2CC2)c1	2212600691	FKWXOLIUOMXJJZ-UHFFFAOYSA-N	220.081	-0.215	50	10	BBGE	
C[C@@H]1CCCN1c1nccc(B(O)O)c1F	2212605729	JEWBTARKPUWPMZ-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C1CC1	2212613317	UKFAXFPYGCGDRI-VIFPVBQESA-N	221.069	-0.243	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@]2(OC)C1	2216674721	KYXNJKOJYKBEKV-FXPVBKGRSA-N	243.307	-0.898	50	10	BBGE	
CC[C@@H](Oc1cc(B(O)O)c(C)cn1)[C@@H](C)N	2217174743	YCADKYIGYIQXRJ-PSASIEDQSA-N	238.096	-0.426	50	10	BBGE	
CN(C[C@@H]1CCCO1)c1cc(B(O)O)ccn1	2217175962	PWALIXBYUQHVSB-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](F)C[C@@H](F)C2)c1	2217178964	CZNYEFCCRFAJPO-DTORHVGOSA-N	242.034	-0.352	50	10	BBGE	
CC(C)(N)C(C)(C)Oc1ncc(B(O)O)cn1	2217194323	UUNIIMBQMLTWQJ-UHFFFAOYSA-N	239.084	-0.949	50	10	BBGE	
CC(C)(O)C1CN(Cc2cccc(B(O)O)c2)C1	2220073881	VWRHADHLAURUTL-UHFFFAOYSA-N	249.119	-0.431	50	10	BBGE	
NCC[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223629589	VORJBEXGUVRYQR-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1cccnc1OC[C@@]12CC[C@H]1CNC2	2223651582	XVOOFIAGTIUTRH-CABZTGNLSA-N	248.091	-0.860	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2223668964	DLWBNEIZDYGBDW-GXSJLCMTSA-N	249.123	-0.887	50	10	BBGE	
COC1CC2(C1)C[C@@H]2Nc1ccc(B(O)O)cn1	2223677387	NLPNGMDWVNKQJA-YZRBJQDESA-N	248.091	-0.259	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2c1cc(B(O)O)ccn1	2223677390	NLQFXVXLQBRLTB-PHIMTYICSA-N	247.107	-0.956	50	10	BBGE	
CC[C@@H](O)CNS(=O)(=O)N1CC(Cl)C1	2241339099	XDUYTKMAECSOIC-SSDOTTSWSA-N	242.728	-0.485	50	10	BBGE	
N[C@H]1COC[C@@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241654040	QMXGOLBKPDSIIB-XAMCCFCMSA-N	218.684	-0.154	50	10	BBGE	
O=S1(=O)C[C@@H](N[C@H]2C[C@H](Cl)C2)[C@@H](O)C1	2241669983	MSASLTYZJXMCOL-XUTVFYLZSA-N	239.724	-0.496	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC12CCC2	2243127594	OPRAGJDEUFUINE-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
NC(=O)c1ccc(B(O)O)c(C(F)(F)F)c1	2243349267	ITAIPGIJPWVTSU-UHFFFAOYSA-N	232.954	-0.516	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)S1	2243362079	LPVAWAHGMIGBPH-BDAKNGLRSA-N	241.121	-0.256	50	10	BBGE	
CCC[C@@](C)(CO)NC(=O)C1(B(O)O)CC1	2243363726	LBNKKRZGJRTLMZ-VIFPVBQESA-N	229.085	-0.339	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243363957	PECFKZWRXSYWKD-SFYZADRCSA-N	222.053	-0.198	50	10	BBGE	
C[C@@H]1C(NC(=O)c2csnc2B(O)O)[C@H]1C	2243377528	AWZWLRRFPMYHKF-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@H]1B(O)O)C1CNC1	2243391340	JMWAAWRDISFCHT-DTWKUNHWSA-N	226.085	-0.940	50	10	BBGE	
Cc1ncsc1CCNC(=O)C#CB(O)O	2243399420	LWFRRCWFMNXTNZ-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
C#CC1(F)CN(C(=O)C2CC(B(O)O)C2)C1	2243404706	SMMXLJMODXZCPF-UHFFFAOYSA-N	225.028	-0.577	50	10	BBGE	
C=C(CS(=O)(=O)NCCCC1CC1)B(O)O	2243412142	HLBMUYSYZXVGEG-UHFFFAOYSA-N	247.125	-0.336	50	10	BBGE	
C=C(C)CONC(=O)c1cc(B(O)O)cs1	2243420206	OJNMSLDFRPXYNB-UHFFFAOYSA-N	241.077	-0.335	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243791241	YURTYJRLENWWKC-IONNQARKSA-N	227.069	-0.465	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H]1NCC[C@H]1C	2245103457	KMKSWAYDGQINGJ-VXNVDRBHSA-N	245.348	-0.115	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(Cl)cn1)[C@@H](C)N	2245912931	JMSYHZLSQQAKBN-RITPCOANSA-N	243.503	-0.438	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1csnc1B(O)O	2245940846	HSJPVRUGEIQUOX-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
OB(O)c1ccnc(S[C@H]2CC[C@H]2O)c1F	2245953217	WOWJXFRRQKRLPR-RQJHMYQMSA-N	243.068	-0.484	50	10	BBGE	
CN1CC2(CCN(CCCC(=O)NN)CC2)C1	2246821715	YHEYXOFWZFCWOA-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
O=C(NC[C@H]1CC[C@H](O)C1)C1(B(O)O)CCC1	2247734099	FLUBMQVYOIYNGR-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
CCN(OC)C(=O)c1cccc(B(O)O)c1F	2247752620	SLVKUKRCNQJKFK-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
Cc1cccc(C(=O)N2CCCO2)c1B(O)O	2247752948	YOTBZJRGEWJNQE-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
O=C(N1CC[C@H]2CNC[C@H]2C1)C1(B(O)O)CC1	2247753790	CPMCWEMTFJROPZ-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CCCONC(=O)c1nc(C)ccc1B(O)O	2247753822	JWQBHHPYZKZYCL-UHFFFAOYSA-N	238.052	-0.859	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCNCC1	2247759285	ZRFGXFLFANSDQW-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CC(C)[C@@H](N)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787908	WISAZHHBIFHPCQ-AEJSXWLSSA-N	242.128	-0.271	50	10	BBGE	
O=C(NC[C@@H](O)C1CCC1)C1CC(B(O)O)C1	2247797674	LZFREVDTFKLASU-UDNWOFFPSA-N	241.096	-0.483	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)OC	2247809537	PYZCLEONFRHQFR-BWZBUEFSSA-N	243.068	-0.693	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1CCCO	2247848022	GAOOZUWJJWSJQL-JTQLQIEISA-N	239.080	-0.845	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2247850214	LKUUQIJYSFJHIQ-UWVGGRQHSA-N	239.080	-0.678	50	10	BBGE	
NCC1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247854818	ISENZDYQTOIBOX-QLEHZGMVSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CNC[C@@H]21)C1(B(O)O)CC1	2247854972	LKMWXAQYPMTUIW-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
COC1CC2(C1)C[C@@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2247855852	ZDAHQEMJJAMULF-FSAQAKCPSA-N	239.080	-0.467	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1(C)CC1	2247873331	AMDXUWONHMZQGN-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
COCC1=CCN(C(=O)C2(B(O)O)CC2)CC1	2247877806	DTNXEUHLVIZYNG-UHFFFAOYSA-N	239.080	-0.202	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCO1	2247893326	PZSNTNINYMTWLN-WOOKNIGNSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1OCC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247893398	QWVDNOJPUXISFR-LGUIWLBCSA-N	241.096	-0.219	50	10	BBGE	
CC(C)c1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH][nH]1	2247895411	SCCYIYQNICDSKN-BQBZGAKWSA-N	237.068	-0.244	50	10	BBGE	
CC#CCNC(=O)Nc1cccc(B(O)O)c1	2247975539	YEILKPGOIOAEAI-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
C#CCCNC(=O)Nc1cccc(B(O)O)c1	2247976450	OMHZEGRYVXWBJR-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
C=CCCC(=O)NCc1ccccc1B(O)O	2248416800	ZAHJRMXPBVLPEJ-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2248573841	KGGGAKQBQWERKN-PRJMDXOYSA-N	241.052	-0.781	50	10	BBGE	
O=C1C[C@@H](CN2CCC(B(O)O)CC2)CCN1	2249379602	XUCFTUWNFYDTAY-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CC[C@@H]3C2)n1	2254598509	ZLHHMCHMIZPGIK-RKDXNWHRSA-N	248.091	-0.384	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCc1ccoc1	2255448246	BZJNECDQDRSGDA-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255484678	MBNWLHBACCIBBU-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
CC(C)N(Cc1ccnn1C)C(=O)C#CB(O)O	2255669307	MMPLPHFZHXKJED-UHFFFAOYSA-N	249.079	-0.828	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1C	2255684207	IUELKCLTKRUSEU-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
N#CCCN(C(=O)c1coc(B(O)O)c1)C1CC1	2255732759	AKTOMXCNCCCSFW-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
Cn1ccc(CNC(=O)c2coc(B(O)O)c2)c1	2255733006	DXKGMZDWXIJMDC-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
CC1(CNC(=O)c2ncc(B(O)O)cn2)CCC1	2255773529	GLIZIGNQZTXTHX-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2258143193	VGOCRWREMYBPGN-DKCNOQQISA-N	249.075	-0.170	50	10	BBGE	
C=CC1CN(C(=O)c2nccc(C)c2B(O)O)C1	2261384766	FVKBAKNJKIKTMC-UHFFFAOYSA-N	246.075	-0.672	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC12CC2	2298370691	HFVNZPJDLRWDSS-HLTSFMKQSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@H]21)[C@@H]1C[C@H]1B(O)O	2298759083	HXWQJNHILGDWTH-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
COC[C@]12CCO[C@H]1CN([C@H](C)C(=O)NN)C2	2299722266	UXLGLKYCNIOMGK-WCABBAIRSA-N	243.307	-0.898	50	10	BBGE	
CC12CC(C1)[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)CO2	2300512669	GPXLBEJCZOVWOS-DMVBOTPLSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@H]1C[C@H](n2cncn2)C1	2300920779	JSZZCIBSKAMAMP-IWSPIJDZSA-N	239.279	-0.233	50	10	BBGE	
C[C@@H](CN)N(C)c1ccc(B(O)O)cc1C#N	2301341595	RCADKNRWPUSYLU-QMMMGPOBSA-N	233.080	-0.979	50	10	BBGE	
CCON(CC)c1ccc(C=O)c(B(O)O)c1	2301451181	NYDKJOJQLZVERJ-UHFFFAOYSA-N	237.064	-0.043	50	10	BBGE	
COc1nc(C(=O)N2CC[C@H](B(O)O)C2)co1	2303111472	JRSKNEKWCFMLHR-LURJTMIESA-N	240.024	-0.628	50	10	BBGE	
CC[C@](C)(CN(CCO)CCOC)C(=O)NN	2303426303	MOUAYKUDQAFRBR-LLVKDONJSA-N	247.339	-0.667	50	10	BBGE	
CC[C@@](C)(CN1CC(=O)N[C@@H](C)C1)C(=O)NN	2303427412	XZVSBOXBBDXFLU-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3CC[C@@H]32)ncc1F	2303846937	ABSHSWSAHMOHFH-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H]2CC[C@H]1N2	2312614951	RIXLFTPYWFXPNE-WCABBAIRSA-N	247.107	-0.686	50	10	BBGE	
COCCS(=O)(=O)N1CCC[C@@H](N=C=O)C1	42809609	ANTVEKPPORQEOF-SECBINFHSA-N	248.304	-0.237	50	10	BBGE	
CN1CCN(S(=O)(=O)CCCl)CC1	59835230	YUMNAIPHVIANRP-UHFFFAOYSA-N	226.729	-0.198	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NN	71526509	YAPMPJPHWXYCPJ-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](O)C2)o1	82468683	HWMXFTSZEWJJFR-ZETCQYMHSA-N	225.248	-0.550	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)[C@H]3C[C@H]3C2=O)o1	85417300	ARJRGRPEXZXOPH-KNVOCYPGSA-N	249.226	-0.612	50	10	BBGE	
Cc1cc(CN2CC[C@@H](O)C2)oc1C(=O)NN	104111756	AQBYUVCEUBHIGP-MRVPVSSYSA-N	239.275	-0.242	50	10	BBGE	
CCCN(CCO)Cc1cc(C(=O)NN)no1	110588535	PSCINMXLLAWQMS-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCN(C)C1=O	218357452	MSHXFPTWQNNFMR-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
O=C1NC(=O)[C@@H](c2cncnc2)[C@@H]1Cl	232095558	GYHPRWHDWKXLIU-WDSKDSINSA-N	211.608	-0.176	50	10	BBGE	
NCCN1CCN(C(=O)C(Cl)Cl)CC1	244203478	VQBXGWPZWLBVBP-UHFFFAOYSA-N	240.134	-0.107	50	10	BBGE	
N#CC[C@@H]1C(=O)N2CCCNC2=C1C=O	259839111	YEVGBSDUPYKLIW-ZETCQYMHSA-N	205.217	-0.238	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](CO)CC1	378815799	BSKXQDVQQNECJF-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
O=C(C[C@@H]1CCNC1)NNC(=O)C1CC1	381614477	ULNNHOSCOMUPCL-ZETCQYMHSA-N	211.265	-0.457	50	10	BBGE	
OB(O)c1ccc(OCCCNC2CC2)cc1	382693546	VCZLTMHNWCIHSI-UHFFFAOYSA-N	235.092	-0.113	50	10	BBGE	
Nc1nccnc1C(=O)NNCC(F)(F)F	390345326	OAPZKXWMQROYNO-UHFFFAOYSA-N	235.169	-0.145	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)c1cnn(C)n1	390394711	NJRNRHQACRLSSO-YFKPBYRVSA-N	246.654	-0.675	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)[C@@H](C)[C@H]1C	399640246	XHXXAGOXLFLXIZ-FXQIFTODSA-N	213.281	-0.131	50	10	BBGE	
O=C(CC1CC1)NCc1cc(B(O)O)cs1	404989498	SEGRBNJHZPHNAB-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
C[C@H]1CCO[C@H]1C(=O)Nc1ccc(B(O)O)cc1	405025196	ZXPFIYNTCQCBPZ-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
C[C@H](CN1CCC[C@](C)(CO)C1)C(=O)NN	688027502	VMJJYQYWWUWRGO-KOLCDFICSA-N	229.324	-0.293	50	10	BBGE	
CN1C(=O)C[C@H](N2CCC(O)(C#N)CC2)C1=O	692113901	MHDXQCDDHFORGE-QMMMGPOBSA-N	237.259	-0.906	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@](C)(O)C1	695087981	QUAHPKYXDRZLHW-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCS(=O)CC1	695103376	VYCGESKDCYIXLZ-SECBINFHSA-N	247.364	-0.545	50	10	BBGE	
CCC(F)(F)CCNC(=O)C(=O)NN	697988172	UCQKYKJQAKOIQW-UHFFFAOYSA-N	209.196	-0.472	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)C[C@@H]1CO	700396790	DOIZEALIMGMYGR-IVZWLZJFSA-N	229.324	-0.437	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CCN(C)C)C1	701446647	NDHYFIZCUHVCRA-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)C[C@@H]1CO	703792704	HBJWPCXZSDALBW-XLPZGREQSA-N	204.657	-0.455	50	10	BBGE	
CN1C[C@@H]2CN(CC(C)(C)C(=O)NN)C[C@H]2C1	706963948	ZTJSCBJXBCHOEV-NXEZZACHSA-N	240.351	-0.504	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C[C@H](C)C1	707564206	LBPKWYNSIHZTRQ-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CCN(CCO)NC(=O)[C@H]1C[C@H]1C(=O)OC	823856250	NXLXISXGKQHWHB-JGVFFNPUSA-N	230.264	-0.859	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(C)C1=O	823918315	UVQGOJKPFUYGIL-RKDXNWHRSA-N	243.307	-0.801	50	10	BBGE	
CCC(=O)N1CSC[C@@H]1C(=O)NN	843450561	PUBSPRKFWIWPLS-RXMQYKEDSA-N	203.267	-0.712	50	10	BBGE	
O=C(Cn1ccnc1)NNc1ccncn1	857520623	GDQNJPXNOJPMAT-UHFFFAOYSA-N	218.220	-0.184	50	10	BBGE	
CC[C@@H](F)C(=O)NNc1ccc(C(N)=O)nn1	1182997973	ZVRSLRHJWVPJSL-RXMQYKEDSA-N	241.226	-0.233	50	10	BBGE	
C[C@@H]1COCCN1Cc1cscc1B(O)O	1231946465	SLMNAWTXQVYXLI-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC(CO)(CO)C1	1303467459	ZCBSSCZJKYKHLO-RUDMXATFSA-N	240.259	-0.756	50	10	BBGE	
Cn1ncc(C#N)c1N1CC[C@H](B(O)O)C1	1333989638	HFQWQZRKGBMLPP-QMMMGPOBSA-N	220.041	-0.655	50	10	BBGE	
O=C([C@@H]1CC12CC2)N1CC[C@H](B(O)O)C1	1351729892	QANYLPWJAQPPCQ-YUMQZZPRSA-N	209.054	-0.138	50	10	BBGE	
Cn1ccc(NNC(=O)c2cc(=O)cc[nH]2)n1	1457800879	FBUBMBKOQRDYNK-UHFFFAOYSA-N	233.231	-0.135	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Br	1883530850	IQJQCPBKTBZWIG-SRQIZXRXSA-N	247.092	-0.226	50	10	BBGE	
C[C@@H](NC(=O)NCCCl)S(C)(=O)=O	1884047112	CGAXHIVHVJWKRE-YFKPBYRVSA-N	228.701	-0.085	50	10	BBGE	
C=C(CO[C@@H]1COCC[C@H]1C)B(O)O	1895211758	JLAARCNSKQGUCX-VXNVDRBHSA-N	200.043	-0.004	50	10	BBGE	
C=C(CN1C[C@]2(C)C[C@]2(COC)C1)B(O)O	1897283085	FLPQAGNKDQCHHJ-WDEREUQCSA-N	225.097	-0.087	50	10	BBGE	
O=C(NC1CC(F)C1)c1cnsc1B(O)O	1900474031	BKPPXPKJMUAJNA-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cnsc2B(O)O)[C@H]1C	1900475486	VGZLJHKMSOCQBC-WHFBIAKZSA-N	240.093	-0.793	50	10	BBGE	
CC(C)=CCOc1nc(C)ncc1B(O)O	1900851729	OAYQKKJJSPKYAX-UHFFFAOYSA-N	222.053	-0.190	50	10	BBGE	
CN(NC(=O)[C@@H]1CCCN1)S(=O)(=O)C1CC1	1901348451	JJVASGSRJXMYTQ-QMMMGPOBSA-N	247.320	-0.806	50	10	BBGE	
CC(C)=C(CN1CC(C)(N(C)C)C1)B(O)O	1901705300	UUMXEFTUVNLKCY-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2CCOC2)C1	1902521429	HBDVGLDEGQERTC-SCZZXKLOSA-N	227.069	-0.512	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]3C[C@H]3C2)n1	1902637514	MRSHBAVOFIVFGK-YUMQZZPRSA-N	238.121	-0.335	50	10	BBGE	
CC[C@](C)(CN1C[C@H](C)[C@@H](O)C1)C(=O)NN	1902706419	MLKQTPYKEARSLH-ATZCPNFKSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@](C)(CN(C)CC(=O)NC)C(=O)NN	1902708463	HUTXTUGUDBRKDP-JTQLQIEISA-N	230.312	-0.930	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CC2(F)F)ncc1F	1903006380	SFHUNNFSLIOMBX-ZCFIWIBFSA-N	231.970	-0.280	50	10	BBGE	
NC(=O)N1CC(NC(=O)OCCl)C1	1917792249	XFJPMFNFIFLTJH-UHFFFAOYSA-N	207.617	-0.328	50	10	BBGE	
O=C(NNS(=O)(=O)N1CCC1)C(F)(F)F	1923407840	IXXFTZMPIDLRCZ-UHFFFAOYSA-N	247.198	-0.880	50	10	BBGE	
O=C(CCn1cnnn1)NCCBr	1928689200	SKKFAYXTMQRSFN-UHFFFAOYSA-N	248.084	-0.426	50	10	BBGE	
O=C(NNCCO)c1ccc(F)cc1O	1929837187	WBONRPPVMGDMBP-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
O=C1NC[C@@H]2CN(C(=O)CCl)CC[C@@H]12	1935276166	IQWAUZOEBPKJOW-RNFRBKRXSA-N	216.668	-0.180	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN1CC(=O)OC(=O)C1	1935555935	GQDSKKLSHDUDTK-JGVFFNPUSA-N	229.232	-0.824	50	10	BBGE	
COC[C@H](C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1936093157	BFXWTALOLYHULV-KXUCPTDWSA-N	229.324	-0.173	50	10	BBGE	
Cn1c(O)nnc1SC[C@@H]1C[C@H]1C(=O)NN	1936093565	FTRRMSZSKFGSSD-CRCLSJGQSA-N	243.292	-0.761	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2OCC[C@@H]2C1	1938636685	PFQCXBDWXYIEBT-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
C[C@]1(CO)CCCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941086082	GZNZBEINLOABLT-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
CN(CCN1CCCC1)C[C@@H]1C[C@H]1C(=O)NN	1941086135	HJXSFJVAVFOGPR-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COCC[C@@H]21	1941371565	CBCQPZXCTGNQQF-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1CCOCC(=O)NN	1941784380	OMWYECIEHRLWDK-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@]1(OCc2cc(C(=O)NN)no2)CCOC1	1942466260	TZWBSAOQKSRLGA-JTQLQIEISA-N	241.247	-0.026	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1945566490	YLXXNXPSSFGVHC-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
COC[C@@]1(OC)CCN([C@H](C)CC(=O)NN)C1	1946474884	QFRWCSGALXGBCD-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](C1)C2(F)F	1946730046	XIYXHTQYBRLRFR-BWZBUEFSSA-N	249.261	-0.422	50	10	BBGE	
O=C(c1cocn1)N1CC[C@@H](B(O)O)C1	1951320336	GZEDUOFSPCIWEQ-ZCFIWIBFSA-N	209.998	-0.637	50	10	BBGE	
O=C(Cl)NC1[C@H]2CS(=O)(=O)C[C@H]12	1953758085	IONQOYHEEBLBRA-IMJSIDKUSA-N	209.654	-0.022	50	10	BBGE	
Cn1nnc(C(=O)N2CC(Br)C2)n1	1954056528	JILXRJRGCCZUOA-UHFFFAOYSA-N	246.068	-0.571	50	10	BBGE	
NNC(=O)COCCN1CC(CCF)C1	1958353131	TUEVOGIJPKJUDQ-UHFFFAOYSA-N	219.260	-0.716	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2C[C@@]2(O)C1	1961405530	BDUYKJYETDUULM-QXFUBDJGSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1csc(N2CC3(CC3)CO2)n1	1961718287	MPXWLDLOHUMRLF-UHFFFAOYSA-N	226.066	-0.645	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1962236856	UZXKAIZJLFFGKW-ZSAGQLGGSA-N	233.695	-0.281	50	10	BBGE	
NNC(=O)CCOCCN1CCCCC1	1974691160	UWLREDXUMIZHAE-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
NC(=O)NN=C1CO[C@]2(CCCOC2)C1	1975209268	ORNQULCFLYDOEC-SECBINFHSA-N	213.237	-0.020	50	10	BBGE	
ClC[C@@H]1CO[C@@H](CNCCn2cnnn2)C1	1975558647	YGZLKRJCEIUEEN-RKDXNWHRSA-N	245.714	-0.093	50	10	BBGE	
N#CC1CN(Cc2csc(C(=O)NN)n2)C1	1978711387	KKOBRPWRLUZMES-UHFFFAOYSA-N	237.288	-0.298	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1c[nH]c(=O)cn1	1979658661	VRHQLZWYFXHNAA-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2	1980069850	FGQGBZQVXGYYHY-BWZBUEFSSA-N	227.264	-0.950	50	10	BBGE	
CS[C@@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	1980886069	BXFPVRANSAUSDP-DTWKUNHWSA-N	246.380	-0.656	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCSC1	1981414001	MTUYAEYXHXZOPK-SECBINFHSA-N	238.121	-0.297	50	10	BBGE	
Cc1ncnc(N(C)CC(C)C)c1B(O)O	1981446310	WSOOGRFIEYBEFO-UHFFFAOYSA-N	223.085	-0.443	50	10	BBGE	
OB(O)c1csc(N2[C@H]3CC[C@H]2COC3)n1	1981468450	BUYUKGMXGPSXKX-BQBZGAKWSA-N	240.093	-0.810	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](F)C2)n1	1981468789	ILDHRSFEYSBSKB-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)CCF)n1	1981472367	PXNAELXRFQZYBV-UHFFFAOYSA-N	227.048	-0.821	50	10	BBGE	
CN(C)CCOCc1nsc(C(=O)NN)n1	1982818071	CYVSIINLBIEUOC-UHFFFAOYSA-N	245.308	-0.780	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=CC[C@@H]1CO	1983179393	NZENNHAPFGUKKD-NXEZZACHSA-N	227.308	-0.376	50	10	BBGE	
C[C@@H]1C(Cn2cc(B(O)O)ccc2=O)[C@H]1C	1984100866	CJWZJXWGBHIORU-YUMQZZPRSA-N	221.065	-0.570	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC12COC2	1984127889	GGRZDYSBVKUQTK-UHFFFAOYSA-N	235.234	-0.524	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	1985954861	KTXZXXOQQSMFBD-YUMQZZPRSA-N	229.280	-0.704	50	10	BBGE	
CO[C@]1(CN(C)[C@@H](C)C(=O)NN)CCSC1	1987015730	VLTJXEQTUGOCPL-WPRPVWTQSA-N	247.364	-0.181	50	10	BBGE	
COc1nc(=NC[C@H]2C[C@@H]2Cl)nc(NN)[nH]1	1991438277	LEXMTVYQXFMDGD-UHNVWZDZSA-N	244.686	-0.373	50	10	BBGE	
O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)CC[C@H]1O	1991691162	ARFMEBQJAZNNON-WCTZXXKLSA-N	247.678	-0.092	50	10	BBGE	
CC(C)C1(Cn2cc(B(O)O)cn2)COC1	1992288762	LYTBCKWGEWZFHE-UHFFFAOYSA-N	224.069	-0.765	50	10	BBGE	
NNC(=O)C(=O)N1CCC(n2cccn2)CC1	2004040590	MQJFNXQFLAIBPU-UHFFFAOYSA-N	237.263	-0.964	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@](C)(C#N)C1	2004358377	IXQHRIGKEAENLF-GXSJLCMTSA-N	240.307	-0.383	50	10	BBGE	
CCCOC1CN(c2ncccc2B(O)O)C1	2004936112	VBTDCBOLGSVGFU-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CO[C@@]1(CN(C)[C@H](C)CC(=O)NN)CCOC1	2013414658	NKGBMHRBDYYIPJ-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@H]2C[C@@H]21	2014931189	YPYLVPUQDBIACO-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC([N+](=O)[O-])C2)C1	2016889239	PRXPEHAPFUZRLU-SFYZADRCSA-N	242.279	-0.647	50	10	BBGE	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCC#CB(O)O	2021162942	MZBZNZTVZIAUQF-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
C[C@H]1O[C@@]2(Cn3ccc(B(O)O)n3)CC[C@H]1C2	2021504470	IJEHZKVGXCPIDC-YWVKMMECSA-N	236.080	-0.480	50	10	BBGE	
C[C@@H]1C(NC(=O)c2cccc(B(O)O)c2)[C@H]1C	2022196792	RULOLWKIDRKKNQ-YUMQZZPRSA-N	233.076	-0.249	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ncc(B(O)O)cn3)C[C@H]12	2025799736	DDJWVAHCBOJNTN-KHQFGBGNSA-N	233.080	-0.751	50	10	BBGE	
CCNC(=O)N1CCCc2c(B(O)O)cccc21	2028394645	NUPBBOQVYWNQHC-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1CC12CCC2	2032135265	MFCVZTXYXYMNFZ-VIFPVBQESA-N	246.075	-0.110	50	10	BBGE	
C[C@@H]1CCC2(CC2)N(c2ncc(B(O)O)cn2)C1	2052469885	WPKYIVNVMNNMLZ-SECBINFHSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CCC1CCC1	2055733075	BSNIKGFTCISKRG-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
CC(C)[C@H]1C[C@H]1CN(C)c1ncncc1B(O)O	2079602299	LFNMXYJVRSHMBG-VHSXEESVSA-N	249.123	-0.115	50	10	BBGE	
CNC(=O)CSCc1cccc(B(O)O)c1	2211134681	PCQNGDUBGFKWLM-UHFFFAOYSA-N	239.105	-0.654	50	10	BBGE	
NNC(=O)C1(CN2CCNC2=O)CCCC1	2212444402	ITEIJXMXGBBVCC-UHFFFAOYSA-N	226.280	-0.438	50	10	BBGE	
OB(O)c1ccnc(S[C@H]2CCOC2)c1F	2212600313	UWGUZDIFYNGVPN-LURJTMIESA-N	243.068	-0.219	50	10	BBGE	
CC#CCN(C)c1nccc(B(O)O)c1F	2212604894	UCGFCEUEHAUBMP-UHFFFAOYSA-N	222.028	-0.640	50	10	BBGE	
CO[C@@H](C)CNc1nccc(B(O)O)c1F	2212605710	JCFNUBAKBDZFRN-LURJTMIESA-N	228.032	-0.653	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Nc1nccc(B(O)O)c1F	2212606378	SPTBZZABEYTVJF-KPCSLPGQSA-N	224.044	-0.033	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C[C@H](O)C1CC1	2215776525	NIUWVFXNECPYLK-VWYCJHECSA-N	241.335	-0.295	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CC1(C(=O)NN)CCC1	2216488487	UTZFUZCKOGVGPL-AOOOYVTPSA-N	238.335	-0.465	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncon1	2217172468	KFAZOALSXVPJTA-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H]2CN)cc1B(O)O	2217179624	AAYLVIUVQUQHJI-SCZZXKLOSA-N	235.096	-0.781	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)Nc1ncc(B(O)O)cn1	2217181340	OPIRKBCCCMBIFM-APPZFPTMSA-N	239.084	-0.882	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CCN1	2217189239	ABHFGEOAENSJCT-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC[C@@H](C)[C@H](CN)Oc1cc(B(O)O)ccn1	2217189910	KDGRTXVIHBURHV-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCOC[C@H]2F)nc1	2217199539	DDSWNWIZMPNTDA-BDAKNGLRSA-N	240.043	-0.700	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1c1ccc(B(O)O)cn1	2217200680	VGYSYBDDXKQLHN-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@]23CC3(F)F)nc1	2217200905	VWWYLGMSWGZMET-XPUUQOCRSA-N	241.006	-0.634	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncn(C)n1	2223624632	ASCSAFYIWGIYJT-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
N[C@H]1CCCCC[C@@H]1Nc1ncccc1B(O)O	2223651375	BVOJQFGQOREYNI-QWRGUYRKSA-N	249.123	-0.167	50	10	BBGE	
C#CCC[C@H](CN)Oc1cc(B(O)O)c(C)cn1	2223651742	DQHZDYRIVBUQQL-SNVBAGLBSA-N	248.091	-0.811	50	10	BBGE	
OC[C@@H]1C[C@H](Nc2cc(B(O)O)ccn2)[C@H]2C[C@H]21	2223669327	IMWXDDVHEZVWQA-ASXGKARISA-N	248.091	-0.810	50	10	BBGE	
COCCCNC(=O)[C@H]1C[C@H]1B(O)O	2241496512	UAFIORGMKIRPBY-NKWVEPMBSA-N	201.031	-0.998	50	10	BBGE	
CN(C[C@@H](Cl)C#N)CC1(O)CNC1	2241930346	WPQZTSXUBCGFCX-ZETCQYMHSA-N	203.673	-0.617	50	10	BBGE	
CSc1ccc(CNC(=O)C(=O)NN)cn1	2242676851	CRFRNGWTWIQJQV-UHFFFAOYSA-N	240.288	-0.590	50	10	BBGE	
NC[C@H](O)C(=O)NN(C1CCC1)C1CCC1	2243257632	GVHGPRHZBBOJNB-JTQLQIEISA-N	227.308	-0.256	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1nscc1B(O)O	2243349996	UDAOWMGBPWELCI-MLUIRONXSA-N	240.093	-0.649	50	10	BBGE	
CO[C@H](C)CNC(=O)c1ccc(B(O)O)s1	2243350303	ZABQSLOXXNWEEM-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)c(C)n1	2243356883	ODZIOXWHZDROTB-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1ccsc1B(O)O	2243359313	QRKGEIIRUDLRIM-SVRRBLITSA-N	239.105	-0.092	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ncsc1B(O)O	2243359399	SFJOGYONOJLHSB-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]2C=C[C@H]1C2	2243362677	UVZBNNHAHNRBJD-LPEHRKFASA-N	219.049	-0.670	50	10	BBGE	
CCSCCNC(=O)c1occc1B(O)O	2243363932	OOAANWDNBMOGCI-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1csnc1B(O)O	2243378034	LMIRLDZSJVACFH-ZCFIWIBFSA-N	238.077	-0.895	50	10	BBGE	
CC1CC2(C1)CC(NC(=O)C#CB(O)O)C2	2243400598	DRAKZBWCBXAENI-UHFFFAOYSA-N	221.065	-0.303	50	10	BBGE	
CC1(CNC(=O)c2sccc2B(O)O)CC1	2243406824	GGGFEIMFHZENRV-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1occc1B(O)O	2243411491	UVZZXEFDQHNQLB-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
C#C[C@H](CCC)NS(=O)(=O)CC(=C)B(O)O	2243420566	VPJOUBCSXWLVGC-SECBINFHSA-N	245.109	-0.724	50	10	BBGE	
CN(Cc1cscn1)C(=O)[C@H]1C[C@@H]1B(O)O	2243426432	IEMWZUAPCYQWSZ-YUMQZZPRSA-N	240.093	-0.036	50	10	BBGE	
NNC(=O)CN1CCC(CCCCO)CC1	2243512482	OMTUPERAGPJEAA-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
O=C(NCC=C(F)F)c1ccc(B(O)O)o1	2243771144	JGCBYTOKXMKELG-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cn1	2246065572	UAOCYENLCNIIQW-UHFFFAOYSA-N	225.164	-0.697	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)[C@H]1C[C@H]1C	2247732757	IXXUZYZSDYFMMX-MUWHJKNJSA-N	237.064	-0.252	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@@H]1F	2247738252	OWYCFRNLHRAMGY-BQBZGAKWSA-N	241.027	-0.611	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)(F)F	2247738882	VTANVROMSHSELW-BYPYZUCNSA-N	249.985	-0.625	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)CCC12CCCC2	2247742727	SSYWCTNSEXJNOS-UHFFFAOYSA-N	235.048	-0.536	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCOC1	2247750929	PZCBAGJUFDVAQB-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2F)c1	2247752810	WFNNIIZDJVLHHK-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2247754808	HSENASQXHGKAPZ-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)CN1	2247758084	SPGOJMDNJRVNHB-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
C=CCONC(=O)c1ccc(B(O)O)c(F)c1	2247761096	QTTMLRXPGZAWMY-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
C=CCN(C(=O)c1c[nH]nc1B(O)O)C(C)C	2247780872	GGHPVUPDAZAPFO-UHFFFAOYSA-N	237.068	-0.874	50	10	BBGE	
C=CCCCNC(=O)c1cc(C)c(B(O)O)o1	2247789239	RYTBXXPRBIHTAB-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
CCn1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247793223	WOHRLXWXQHUIRV-DTWKUNHWSA-N	237.068	-0.618	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247798421	TZGJDAFOFNSASW-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]1C1CC1)[C@@H]1C[C@@H]1B(O)O	2247799162	ADRIWVBKZMGSAV-UTINFBMNSA-N	238.096	-0.894	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247800264	NGXUUXWLYBCDAE-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN2CCC[C@H]2C1	2247806418	NAGWLRAWFBYVCS-AEJSXWLSSA-N	238.096	-0.844	50	10	BBGE	
CN(C[C@H]1CCC(C)(C)O1)C(=O)C#CB(O)O	2247847574	ZBKKIPMPMHEOQB-SECBINFHSA-N	239.080	-0.582	50	10	BBGE	
O=C(N1CC[C@@H]2[C@H](O)C[C@H]2C1)C1(B(O)O)CC1	2247854598	FNUFZNUZYRAJKA-XHNCKOQMSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H](C1CNC1)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247858824	ICASWUMSGHOECK-OYNCUSHFSA-N	240.112	-0.694	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H](C)CF	2247868522	VAYWJSPLXQXADE-ZETCQYMHSA-N	239.055	-0.237	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247872348	QWPVRKOCFJBEPU-KCJUWKMLSA-N	238.096	-0.667	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CC2)n(C)c1C	2247875378	XPHACPDPJJOHBM-UHFFFAOYSA-N	237.068	-0.018	50	10	BBGE	
O=C(NC1CC1)c1cc(B(O)O)cn1C1CC1	2247876050	IDTZQBKXPLNDKD-UHFFFAOYSA-N	234.064	-0.605	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1occc1B(O)O	2247877406	AIYISFFGWGXCPE-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247878170	LZJWVRCJJCLPGV-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cc1F	2247878457	KCBDRBOHGMXYFG-YLWLKBPMSA-N	238.027	-0.961	50	10	BBGE	
O=C(NCC12CC(CO1)C2)C1(B(O)O)CCC1	2247879283	RUMMNXMIJUPLAO-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897051	NMERESSPOCMWTI-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2247897827	XGACAWCLWHEBOE-GRDBIXFFSA-N	239.080	-0.610	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H]1C1(O)CC1	2247899067	KEVRSAOSNOYICO-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@@H]1CNCC2(CC2)C1)[C@H]1C[C@@H]1B(O)O	2247900402	WMMFWEWTLSWWTR-CIUDSAMLSA-N	238.096	-0.892	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CCO[C@@H]2C1	2247908888	BNCJSYMORBNSGV-AUXWQGHOSA-N	239.080	-0.513	50	10	BBGE	
C=CCC(=O)NCCc1ccccc1B(O)O	2248419899	JUGVOXUMQVLKML-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
CCN(CCC(=O)O)C(=O)C1CC(B(O)O)C1	2248579118	XTRLZPNAUUUECV-UHFFFAOYSA-N	243.068	-0.437	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COC[C@H]1C2	2249902594	UPPRTUVPYWBEEV-AATLWQCWSA-N	239.080	-0.513	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2251034581	YEWUXASDFURURV-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)cn1C1CC1	2255503430	DJKLRJHWLJNQIE-UHFFFAOYSA-N	246.075	-0.792	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1c(F)cccc1B(O)O	2255509056	GYHSPKXXPFVPIJ-VIFPVBQESA-N	249.050	-0.212	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1c(F)cccc1B(O)O	2255509171	IVZBSUSIRXTZKR-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1cc(B(O)O)n[nH]1	2255550509	XZTYXPLZSGTSET-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
O=C(Nc1ncnc2[nH]cnc12)[C@H]1C[C@H]1B(O)O	2255561172	FBGWNGJQCZTVSS-CRCLSJGQSA-N	247.023	-0.846	50	10	BBGE	
NC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1B(O)O	2255569980	BBJLQXRHAVJLHH-JGVFFNPUSA-N	248.047	-0.413	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@]2(C)C1	2255730847	VJRJTHUJXXWVTM-QPUJVOFHSA-N	248.091	-0.813	50	10	BBGE	
Cc1ccncc1NC(=O)c1coc(B(O)O)c1	2255733858	RJZXIKBIWNZWCY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@@H]2C1	2255736879	VGHRYQBDGUSYLW-RKDXNWHRSA-N	248.091	-0.813	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)ncn1	2255767706	FATVVJLLTSIDGV-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)[C@@H]2CNC[C@H]1C2	2258355726	LLAXQVFFSRBSTQ-GDGBQDQQSA-N	248.091	-0.862	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]2[C@H]3CO)CCC1	2298188559	ZDWWQKIGJYHNHQ-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
CC1(C)OC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298369837	HCUKKQSTBUURBJ-BWZBUEFSSA-N	243.068	-0.883	50	10	BBGE	
CN1CC(COC[C@@H]2CC[C@H](C(=O)NN)C2)C1	2299034739	GYHFLLNGMGGZRT-KOLCDFICSA-N	241.335	-0.029	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)CCC(N)=O	2300398537	BNSCJPLIBTUGOA-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
Cc1ccn(-c2ccc(C=O)c(B(O)O)c2)n1	2301421019	OTYZFNQAACCTHG-UHFFFAOYSA-N	230.032	-0.327	50	10	BBGE	
N[C@@H]1CC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2301423408	RYXHOUYGBGYIBA-MNOVXSKESA-N	235.048	-0.953	50	10	BBGE	
C[C@@H](CO[C@H]1C[C@H](n2cnnc2)C1)C(=O)NN	2301615336	XLYVGOLKRDJRFA-CIUDSAMLSA-N	239.279	-0.376	50	10	BBGE	
CC=C(C)C(=O)NCc1ccccc1B(O)O	2301715596	XVRAVNDPBWROBT-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCC[C@H]2O)ncc1F	2303834831	MNWWGADSZULUEE-RKDXNWHRSA-N	240.043	-0.774	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1[C@H]2COC[C@H]12	2317163700	ZNAFEEGNTQWFPV-UWVGGRQHSA-N	244.059	-0.705	50	10	BBGE	
C[C@H]1C[C@@H](N)CN1c1ccc(C=O)c(B(O)O)c1	2317352025	RPYGOOLGAYXSED-WCBMZHEXSA-N	248.091	-0.895	50	10	BBGE	
CCc1c(C(=O)NN)nn2c1OCCC2	45930100	NDMYZWFTKBBRRD-UHFFFAOYSA-N	210.237	-0.169	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCNC(=O)CC1	62101152	QTKGYUPXQRCUMC-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
NNC(=O)CCCCCn1cccnc1=O	70652501	BGZIAGVXOCZOHO-UHFFFAOYSA-N	224.264	-0.206	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCO[C@H](C)C1	82469304	BEQKJWBYGPEYGJ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CCNC(=O)CN(C)CCCCC(=O)NN	82470131	BIVKGEYCITTXFF-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
C[C@@H](CN(C)Cc1cnn(C)c1)C(=O)NN	82470448	KBSSCZGDAWGJBR-QMMMGPOBSA-N	225.296	-0.522	50	10	BBGE	
CC[C@H]1CN([C@@H](CC)C(=O)NN)CCN1C	82485344	QMVSRVNIBDTXFF-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1	83890494	SRXYQXONXURJSA-RXMQYKEDSA-N	239.197	-0.223	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	85541969	SEJQOLHPXQWKCR-XHNCKOQMSA-N	213.281	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCN(C)C	86313678	IOSUYULYCPXADA-IUCAKERBSA-N	216.329	-0.506	50	10	BBGE	
C[C@@H](Sc1ncn[nH]1)[C@H](C)C(=O)NN	86313890	WPJHEGDPKRUPJI-CRCLSJGQSA-N	215.282	-0.089	50	10	BBGE	
C[C@H](Sc1nncn1C)[C@H](C)C(=O)NN	86313912	ARVCADPTTHHYHB-WDSKDSINSA-N	229.309	-0.078	50	10	BBGE	
COCCC(=O)NNC(=O)CSC	89996010	FYLGVWNXLHIWLI-UHFFFAOYSA-N	206.267	-0.467	50	10	BBGE	
CN(CC(N)=O)C(=O)CCBr	168345128	FVJSVYTVWIKNBH-UHFFFAOYSA-N	223.070	-0.285	50	10	BBGE	
N[C@H]1[C@@H](Br)[C@@H](C(=O)O)C[C@H]1O	200458766	NAMUYDLTJMUKFY-SKNVOMKLSA-N	224.054	-0.457	50	10	BBGE	
COCCCNC(=O)/C(C#N)=C\N(C)CCO	216808576	WZPAKHRGWWCXFU-KTKRTIGZSA-N	241.291	-0.529	50	10	BBGE	
C[C@](O)(c1cncc(B(O)O)c1)C(F)(F)F	221904242	QKVNOZRSLOILEW-ZETCQYMHSA-N	234.970	-0.469	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383849	LUPKNHBUZROUKR-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@@H](NS(=O)(=O)CCl)C(N)=O	231059758	FWRKVBFEMUPNGT-RXMQYKEDSA-N	228.701	-0.388	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CC1	232419406	FVJAKEDMBXWQGE-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCCOC1	232420245	RYWKCCXRJFGJRB-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CNC(=O)CNc1nnc(CCl)o1	234359678	XFGKCPHXYZDZLN-UHFFFAOYSA-N	204.617	-0.034	50	10	BBGE	
CC1(C)C(C#N)=C(NN)NC(=O)[C@@H]1C#N	238198250	AEQRVJQEBUBTRD-LURJTMIESA-N	205.221	-0.519	50	10	BBGE	
CCOC(=O)c1cnc(C)c(B(O)O)c1	238271740	BKZKEOQJUZVWKQ-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H](C)C1	252613341	XDJQJSNLRIWPPW-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C)CCC(=O)NN	308129030	AYPDHKWICRUISY-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CCOC(=O)C1(C(=O)OCC)C[C@@H]1B(O)O	309224733	SRHBUVTYTUCJTR-LURJTMIESA-N	230.025	-0.654	50	10	BBGE	
COc1cnn(Cc2ccccc2B(O)O)c1	310317479	XUQUTZPCSCHMBM-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
NNC(=O)C(=O)N1CC(F)(F)C(F)(F)C1	313431892	JGKMVRKTGPOKNW-UHFFFAOYSA-N	229.133	-0.911	50	10	BBGE	
CC(=O)C#Cc1ccc(C(=O)NN)cn1	382713709	ISUFPKZATOLUQX-UHFFFAOYSA-N	203.201	-0.374	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(O)(C2CC2)C1	383969862	IGPXCRPAEMVUJK-ZETCQYMHSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)CN1C[C@H]2C(N3CCCC3)[C@@H]2C1	384250702	LCLDRICWIHTVCQ-RKDXNWHRSA-N	224.308	-0.998	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1[C@H](C)CC(=O)NN	385965499	ZMAMQNCTDWVAHD-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@]1(CN)CCN(CCCC(=O)NN)C1	393798332	PKAUMHAZXIWFJJ-SNVBAGLBSA-N	214.313	-0.573	50	10	BBGE	
C[C@@H](CO)N(C)CCC(C)(C)C(=O)NN	395616082	PDGJOGSOQPVIAN-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
NNc1c(OC(F)(F)F)cccc1B(O)O	396050679	LDVHSGFBSDEHRZ-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1CC(=O)CCl	396078902	RBEPMIZUTVURBZ-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2ccsc2c1O	396387969	UFWLIIUMCMCOTF-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COC[C@@H](O[C@@H](COC)C(C)C)C(=O)NN	404139497	YJRTZNWCUMWPNP-DTWKUNHWSA-N	234.296	-0.321	50	10	BBGE	
Cn1cccc1C(=O)Nc1cccc(B(O)O)n1	405024857	HZRPXQZHBIDWMX-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
OCCC1(CNCc2ccccc2B(O)O)CC1	585036987	QCZJBYJFGPUSHO-UHFFFAOYSA-N	249.119	-0.381	50	10	BBGE	
Cc1cnoc1C(=O)NNC(N)=S	606275425	WOIFDGDQTIPPDI-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2COC[C@@H]2C1	690721847	ISVCEHNDEXKFKU-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CN1CC[C@H]2COC[C@H]2C1)C(=O)NN	690725377	YZESBHZCBNWKSE-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CCC(N)=O	695099569	KVRIBDUCQOGPQM-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CCNC1=O	696376004	KQANDNFCMGDNRA-UHFFFAOYSA-N	238.247	-0.283	50	10	BBGE	
Cc1noc2ncc(C(=O)NCB(O)O)cc12	701933379	XSVOERLMKYJBIN-UHFFFAOYSA-N	235.008	-0.727	50	10	BBGE	
COC[C@@H]1CN(S(=O)(=O)CCl)CCO1	705851184	PRUWPGCFNHNDKY-ZETCQYMHSA-N	243.712	-0.140	50	10	BBGE	
C[C@H]1CN(C)CCN(CCCC(=O)NN)C1	707565402	STIAIIYUVZARCL-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
COC[C@@H](O)CN1CCC(O)(C#N)CC1	709381620	YDEPIXFJGRUJOP-VIFPVBQESA-N	214.265	-0.656	50	10	BBGE	
O=CC1=C[C@H](N2C=CCN2)C([N+](=O)[O-])=[S+]1	725676721	PGMJILVUJJBJEI-ZETCQYMHSA-N	226.237	-0.726	50	10	BBGE	
COC(=O)N1CCCc2c(B(O)O)cccc21	725700315	RXTOOKFBCINHEG-UHFFFAOYSA-N	235.048	-0.115	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@]1(C)CCCO1	755255708	RXIFGFVISWMRJE-SECBINFHSA-N	215.253	-0.142	50	10	BBGE	
CC(=O)NNS(=O)(=O)N1CCC[C@H]1C	775247943	KBIJNYMGUYMFFD-ZCFIWIBFSA-N	221.282	-0.644	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)N2CC(F)C2)O1	858794036	WMQYTSSWHGYQCY-HTRCEHHLSA-N	245.254	-0.052	50	10	BBGE	
CCc1ncoc1C(=O)NNC(=O)C(C)(C)O	1154457388	VCDJAUZBZZHYQB-UHFFFAOYSA-N	241.247	-0.231	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H](O)CF	1253593795	HHEIWNBWKAGVFK-YFKPBYRVSA-N	219.665	-0.525	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC[S@@](C)=O	1292880388	HSKCARFWVNBTRG-MVGZEHJDSA-N	230.289	-0.075	50	10	BBGE	
CC(=NN(C)C(N)=O)[C@@H]1COCCO1	1323255812	LWELRYTXFHOULI-ZETCQYMHSA-N	201.226	-0.212	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2cc[nH]n2)n1C	1329066457	HWMKTIVKGCIOEW-UHFFFAOYSA-N	235.251	-0.468	50	10	BBGE	
C=CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C	1336701349	GDRLSXQKVJUXDJ-QMMMGPOBSA-N	232.305	-0.335	50	10	BBGE	
Cn1ccc(NNC(=O)C2(C(N)=O)CC2)n1	1472556161	GGTIVLPAZYSFLX-UHFFFAOYSA-N	223.236	-0.871	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N2CC=C(N)N2)cn1	1558400364	BGSSIIIRTRDAKP-RUDMXATFSA-N	244.258	-0.526	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)c1ccnnc1	1639367414	LBACXFBEDXAYOB-SSDOTTSWSA-N	238.247	-0.337	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	1641424792	YLWVTTTXVDASNU-XLPZGREQSA-N	212.249	-0.438	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NNCCO)O1	1877852414	SUGWCNOWZPBTCV-HTQZYQBOSA-N	202.254	-0.443	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H]1CCS1(=O)=O	1884830146	ZXNOLFWBUMKQDX-RNFRBKRXSA-N	235.692	-0.470	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)C[C@@H](O)CCl	1884852149	HVBYNRWYCMIJKG-DJLDLDEBSA-N	223.700	-0.068	50	10	BBGE	
C[C@@H]1[C@H](O)CN1CCCCC(=O)NN	1885891010	ZGMOZZHXRDSRJT-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
O=C(F)NCCC[C@H]1NC(=O)NC1=O	1887186178	JHKPKNCVBOYWGS-SCSAIBSYSA-N	203.173	-0.346	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@@H]1F	1895382220	SBRYOEAYHLMIOM-RITPCOANSA-N	224.000	-0.942	50	10	BBGE	
CN(C)CC(C)(C)COCC(=O)NN	1895602643	LXGNKFUVTSVPPQ-UHFFFAOYSA-N	203.286	-0.419	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCCCN1	1901374601	FOTKBDVDRLNZMU-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@@H]1NC(=O)NN	1905553368	SCMJKORPAOPVTL-WDSKDSINSA-N	221.282	-0.875	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(COC2)C1	1915566340	CPZRKMDHOYTCDL-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CCN(C[C@H](C)O)C[C@@H]1C[C@H]1C(=O)NN	1927914238	SACQTIVNSGWZNI-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CO2	1927916101	CDNLUZMDIJHIKK-RBXMUDONSA-N	211.265	-0.915	50	10	BBGE	
C[C@@H](Cl)[C@@H](C)NC(=O)Cn1cnnn1	1928696482	NZMCWFYKIKINNZ-PHDIDXHHSA-N	217.660	-0.195	50	10	BBGE	
Cc1ncc(C(=O)NNCCO)s1	1929833588	MCFCIKGLPGKIHU-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
CO[C@H](C(=O)N(C)N)[C@@H]1CCCOC1	1930601625	WFVDQCGGEMDFSE-SFYZADRCSA-N	202.254	-0.240	50	10	BBGE	
C[C@H]1CCS[C@H]1CNC(=O)C(=O)NN	1930911098	OEEMAQIZBUHVPN-WDSKDSINSA-N	217.294	-0.766	50	10	BBGE	
NC(=O)[C@H](NC(=O)CCCl)C1CC1	1932385202	PNAIUILPJIOZSJ-SSDOTTSWSA-N	204.657	-0.005	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)CCC(=O)NN	1935550903	ZNDAZXXFQIBIDR-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2[C@@H](C1)C2(F)F	1935928267	IODAIQDRJFBPDI-RFZPGFLSSA-N	241.188	-0.192	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@H](F)C1	1936025952	HYKXQVADNZXLOK-RBXMUDONSA-N	233.287	-0.594	50	10	BBGE	
CN1C(C)(C)[C@]2(CC(=O)OC2=O)CS1(=O)=O	1938268230	PIVIKQUFRQWBIZ-SECBINFHSA-N	247.272	-0.500	50	10	BBGE	
Cc1ncc(OC2CCOCC2)cc1B(O)O	1944010802	IGBUVKMAISKLHP-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
CCN1CC[C@H](N(C)CC2(C(=O)NN)CC2)C1	1945884431	QLIFIRINBZAPIZ-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
COCCSc1ncccc1B(O)O	1956966321	TWFXUZUCVKWGQK-UHFFFAOYSA-N	213.067	-0.500	50	10	BBGE	
CN(C[C@H]1CCc2nccn2C1)C(=O)NN	1976567954	PRVRQAUHLSQVKD-MRVPVSSYSA-N	223.280	-0.039	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)C(=O)NN)CCO1	1977314295	OMEYYDJAGLXQGY-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCn2ccnc2C1	1978921014	XXBCGNLNVWUFBX-MRVPVSSYSA-N	224.264	-0.941	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)c1cnn(C)c1	1980917845	URTAHZDRWYAXMN-SFYZADRCSA-N	225.296	-0.129	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCOC1)C(=O)NN	1981417516	BBKWNRNPMKMYND-BDAKNGLRSA-N	232.280	-0.566	50	10	BBGE	
CO[C@@H](C)COc1ncc(C)cc1B(O)O	1986049926	YTOQWHOAEHOIIE-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
Cn1nnc(CN[C@H]2CCOC[C@H]2CCl)n1	1989876165	HQYIRXJQOLEOAI-SFYZADRCSA-N	245.714	-0.056	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	1990772003	FESTZJOPSMZIHD-BDAKNGLRSA-N	229.280	-0.737	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996730893	CLQSMTCZQOMJMV-HBNTYKKESA-N	240.351	-0.219	50	10	BBGE	
CC[C@H](O)CN(C[C@H]1C[C@@H]1C(=O)NN)C1CC1	2000012684	ZROZBMYYRXUIFJ-MIMYLULJSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](CN2CCCC2)C1	2003905810	ZBZKAQHLAVURAQ-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cncnc1OC1CC(C(F)F)C1	2004933872	AQEYOQGOWCCKFS-UHFFFAOYSA-N	244.006	-0.421	50	10	BBGE	
Cc1nc(N(C)CC(C)(C)F)ncc1B(O)O	2004972452	GCBULMQINDDQPQ-UHFFFAOYSA-N	241.075	-0.351	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)[C@H](C)C2)c1B(O)O	2004973313	SJTCGSUPNFDSAN-HTQZYQBOSA-N	235.096	-0.443	50	10	BBGE	
CN(C)CCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2007721935	RKHMSXQZRZOIFA-GHMZBOCLSA-N	240.351	-0.504	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CC(F)(F)C1	2008840836	RVWLUAMVDMLHLJ-UHFFFAOYSA-N	243.018	-0.427	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(CC[C@H]2O)C1	2009520213	JIJKSJYLZYYXQP-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H](C)COCc1nn(C)cc1C(=O)NN	2011814803	NPYSKHVUILPYDX-ZETCQYMHSA-N	242.279	-0.425	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@H](O)C[C@H]2C1	2012895351	HRGLEQNQIVCIHU-URLYPYJESA-N	241.335	-0.151	50	10	BBGE	
CN(CC(=O)NN)Cc1ccn2nncc2c1	2013374977	GOUPGYRMLLERFE-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
O=C(Cn1cccn1)N[C@@H]1CCC=C1B(O)O	2020057832	VWENPAHMGROPME-SECBINFHSA-N	235.052	-0.900	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CC[C@H]2C[C@@H]1C2	2021282522	GATGJTFRTNAGOX-KHQFGBGNSA-N	234.064	-0.276	50	10	BBGE	
COC[C@H](C(=O)NN)N1[C@H]2CCC[C@@H]1COC2	2021404306	NBFXRTJWUINYQG-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
COC[C@@H](C)COc1cnc(C)c(B(O)O)c1	2021985877	MBNUNHIKCIPKCD-MRVPVSSYSA-N	239.080	-0.269	50	10	BBGE	
Cc1nn(Cc2cncc(C(=O)NN)c2)c(=O)o1	2027478437	FOQKNADGVQFUKF-UHFFFAOYSA-N	249.230	-0.808	50	10	BBGE	
OB(O)c1cnn(Cc2cccn3ccnc23)c1	2031426602	JVZOPCLJSWIYJD-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
O=C(NNCCO)[C@@H]1CC(c2ccccc2)=NO1	2031839777	NXGFLPFXVDXEOQ-NSHDSACASA-N	249.270	-0.207	50	10	BBGE	
Cc1nccn1C[C@H](C)Cn1ccc(B(O)O)n1	2050449491	YOMLZUBXIOXNBP-VIFPVBQESA-N	248.095	-0.596	50	10	BBGE	
CCOc1cc(C)c(B(O)O)c(C#N)c1	2060202749	MZVWNSMGXHXQTN-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1cc([N+](=O)[O-])c(C=O)cc1B(O)O	2060268085	GTAWTKDMQWCLFV-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1c(OC(F)F)cc(C#N)cc1B(O)O	2060301677	AAXXQYPBPBVXGP-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
CO[C@@H]1CC[C@H]1NC(=O)c1ccccc1B(O)O	2079009849	KYYAEGWDMRCWAA-GHMZBOCLSA-N	249.075	-0.726	50	10	BBGE	
O=C(N1Cc2ccc(B(O)O)cc2C1)C1(F)CC1	2085364596	QPZYXROSFLPHAC-UHFFFAOYSA-N	249.050	-0.289	50	10	BBGE	
N#CCNC(=O)c1ccc(B(O)O)cc1Cl	2211726429	BUZYKYBGGNDOEB-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1	2211734580	RBMYURFOTQZUSG-NZHYYXIDSA-N	249.738	-0.350	50	10	BBGE	
Cc1nc(C)n(C[C@H]2CC[C@@H]2C(=O)NN)n1	2211838924	NPZJBAMCQFQUCS-BDAKNGLRSA-N	223.280	-0.089	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@]1(F)CCOC1	2212152135	JINFDWUDLUSUMR-PSASIEDQSA-N	233.287	-0.185	50	10	BBGE	
CCN(CCC#N)c1ccc(B(O)O)cn1	2212601915	VWVGHLOTRIOSEH-UHFFFAOYSA-N	219.053	-0.499	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)C1(CO)CCC1	2215773612	BTVBTLJNPFRPBI-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H](C)[C@@H](N)COc1ccc(B(O)O)cn1	2217187666	CCDCMQZGXKJDRX-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1c1ncccc1B(O)O	2217199387	LWUFLEGTESRDMB-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
CCOC(C)(C)CNc1ncc(B(O)O)cn1	2217199505	CXTUBWARAOYWHI-UHFFFAOYSA-N	239.084	-0.617	50	10	BBGE	
C[C@H]1C[C@@H](CNc2ncccc2B(O)O)CO1	2217199771	OXNIULDSDNPQJP-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CCOC1	2217202980	OCTAHNDGVZBHPF-LLVKDONJSA-N	236.080	-0.400	50	10	BBGE	
CN(CCNc1ncccc1B(O)O)C1CC1	2217204387	IYKBXAAWUJJTQJ-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCCO1	2217205349	XOSMJOAZVJAKLK-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(Cc2cccc(B(O)O)c2)C1	2220064041	VPQQYLJYVWGWJF-GXFFZTMASA-N	249.119	-0.431	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1-c1ncccc1B(O)O	2223612022	XUCKIMYBQPVKGF-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
N#CCCN(c1nccc(B(O)O)c1F)C1CC1	2223649616	ZRKJETUGWBUWGN-UHFFFAOYSA-N	249.054	-0.217	50	10	BBGE	
Cc1cc(CN(C)c2ncc(B(O)O)cn2)on1	2223670436	XWWWKVURYBTZOO-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
Cc1ncc(CCN=c2ccc(B(O)O)c[nH]2)o1	2223673298	FMOJVWBHVQBEMR-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
CCc1cc(CNc2ncc(B(O)O)cn2)on1	2223676041	VLACGQUCJWNQOA-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
CO[C@H](C)CNC(=O)C1(B(O)O)CC1	2241473287	HIAABFCHIFBVBM-ZCFIWIBFSA-N	201.031	-0.856	50	10	BBGE	
C[C@H](OC[C@]12C[C@H](CO1)C2)C(=O)NN	2242207904	SMOHYGXMJJFOBC-ACLDMZEESA-N	200.238	-0.440	50	10	BBGE	
N=C(N)NC(=N)N[C@H]1C[C@H](Br)C1	2242387974	XCHTXDFRQPCLIA-JPYJGEKTSA-N	234.101	-0.080	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1nscc1B(O)O	2243346575	AUHXDBLILJSDIB-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1ccc(B(O)O)o1	2243356376	GWVPPBQIHSAEFB-WDSKDSINSA-N	243.455	-0.684	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)C#CB(O)O)CC1	2243357414	WPJQRPLYEYFGOW-KYZUINATSA-N	225.053	-0.924	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ncsc1B(O)O	2243359648	VPHBZVPODLBIEU-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cc(B(O)O)sn1	2243377817	HLYNBERROGDJIL-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)[C@H]1C[C@H]1B(O)O	2243390738	ALRHZCMXVKYHIQ-UYXSQOIJSA-N	227.069	-0.874	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@H]1B(O)O	2243392647	VRILRHRFFXPYBC-UYXSQOIJSA-N	226.085	-0.942	50	10	BBGE	
N=c1[nH]cc(CNC(=O)[C@H]2C[C@H]2B(O)O)s1	2243397093	VLINHYUVXABNQJ-NTSWFWBYSA-N	241.081	-0.965	50	10	BBGE	
O=C(Nc1ccns1)c1ccc(B(O)O)o1	2243400390	AFOLTRSJBDYBCW-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
COCCNC(=O)c1scc(B(O)O)c1C	2243404783	UMDNYQKNQLIWQI-UHFFFAOYSA-N	243.093	-0.887	50	10	BBGE	
C=C(C)CCNC(=O)c1ccoc1B(O)O	2243407735	YRINDDRDSDQFGC-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
C=C(C)CN(C)C(=O)c1coc(B(O)O)c1	2243409238	DJEQBDZHBBEIRY-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](CC)C(C)C)B(O)O	2243412171	HSIPPAMDVNFBKX-VIFPVBQESA-N	249.141	-0.091	50	10	BBGE	
C#CC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243415456	VIRZLQZZQOBFNG-KYZUINATSA-N	221.065	-0.231	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243426081	DPGFKGRFZVYCIQ-QXFUBDJGSA-N	227.069	-0.874	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@@H](C)N1	2243427604	XZNPFCRBEOILAQ-KZVJFYERSA-N	226.085	-0.942	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@@H]1Cl	2243698381	RQIGFCJGUKVDFE-RQJHMYQMSA-N	240.455	-0.673	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2243758161	AXZFLWCYOUGSBP-PHDIDXHHSA-N	227.025	-0.933	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cocc1B(O)O	2244219966	UOEHMJZANFHWJI-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H](F)C(F)(F)F	2244554548	BTZYWBCULCGWMO-YFKPBYRVSA-N	240.949	-0.592	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	2245148187	RERXJFGWSSSBMF-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2OCC[C@H]2C1	2247742057	KCYBAWKNTXRWET-AEJSXWLSSA-N	237.064	-0.924	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2247744857	YVBOIOBHIXHRTP-SAVGLBRCSA-N	233.076	-0.495	50	10	BBGE	
Cc1cc(C(=O)N(C)CC(C)C)oc1B(O)O	2247789127	QJMVSUFMPCQFJA-UHFFFAOYSA-N	239.080	-0.004	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCC1	2247798407	TVVHYYYQFZPBJO-IUCAKERBSA-N	240.112	-0.515	50	10	BBGE	
C#CCCCCNC(=O)c1coc(B(O)O)c1	2247872379	RBBMJHVMWAHRMM-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1occc1B(O)O	2247873504	CITFUTPJICEGLA-APPZFPTMSA-N	237.064	-0.266	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1occc1B(O)O	2247878512	KXOGBJPFHKJABP-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC[C@H]2C1	2247878588	OMFOYRDLVDQZLU-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
COC[C@@H](CNC(=O)C1CC(B(O)O)C1)OC	2247892998	KWBKDWQDFUECQF-AMDVSUOASA-N	245.084	-0.983	50	10	BBGE	
CCOC(=O)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2247895654	UUONQBQPPCTIRL-JGVFFNPUSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](F)[C@H](CO)C1	2247895952	CNCXUQHYGDZECR-XSPKLOCKSA-N	245.059	-0.972	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248573420	DRUMIJPJQRQSHE-HSNKUXOKSA-N	243.068	-0.535	50	10	BBGE	
CC#CC(=O)NCc1ccc(C)c(B(O)O)c1	2253235724	VXSWLVGPPJATCC-UHFFFAOYSA-N	231.060	-0.686	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCn1ccnc1	2254107263	VEGHMTZXPQWXBM-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccncc1B(O)O	2255444966	QSEQZJFNISHJQK-RKDXNWHRSA-N	248.091	-0.226	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@H]2CCC[C@@H]21	2255579450	ROSYFFCNDRQPAH-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCC[C@H]2C1	2255668651	CKBGMDUURHPECA-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)c(F)cc1C	2258092859	VLUDALGLMOBRAM-UHFFFAOYSA-N	249.050	-0.433	50	10	BBGE	
Nc1ncccc1NC(=O)c1cc(B(O)O)co1	2258123225	MFSFBKSMOVKQBA-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
C[C@H]1OC2(CNC(=O)[C@@H]3C[C@@H]3B(O)O)CC1C2	2298375556	OQXDGPSDYCXXAB-SIFPBSKNSA-N	239.080	-0.467	50	10	BBGE	
C[C@]1(O)CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377544	VDUQOZGYSDSSDO-CDLYGTGVSA-N	241.096	-0.341	50	10	BBGE	
C#CC1CN(c2ccc(B(O)O)cc2C#N)C1	2301345870	KIAYYMPJCPKFEV-UHFFFAOYSA-N	226.044	-0.693	50	10	BBGE	
O=C(N[C@@]12CC[C@@H](C1)NC2)C1CC(B(O)O)C1	2303701233	XJOYNGKAUVQBQW-CAUGXEKISA-N	238.096	-0.750	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1ccc(B(O)O)cn1	2312612386	UTVFMQHPCBXKSI-OINDSLJFSA-N	247.107	-0.701	50	10	BBGE	
C=CC[C@H](Oc1ncccc1B(O)O)[C@H]1CCN1	2314244948	IGTZCJUVOGUOKU-MNOVXSKESA-N	248.091	-0.553	50	10	BBGE	
NCCCNS(=O)(=O)CCCCl	40810061	RGPVEMMJIXOXBV-UHFFFAOYSA-N	214.718	-0.117	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	44678623	WUKVFBVNGCGHRS-RKDXNWHRSA-N	219.244	-0.351	50	10	BBGE	
CC(C)(CO)NS(=O)(=O)CCl	82513025	CJZPSEQIZJGGTH-UHFFFAOYSA-N	201.675	-0.127	50	10	BBGE	
CN(C)C(=O)c1ccn(CCCC(=O)NN)n1	85196548	LGKNRRJRDKLNRQ-UHFFFAOYSA-N	239.279	-0.645	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC(C)(C)O	86275139	MFIYJCVKFCMKLT-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
C/C(NN1CCOCC1)=C(\C#N)C(N)=O	100385199	KYMGBOBNEGJTCR-FPLPWBNLSA-N	210.237	-0.894	50	10	BBGE	
O=C1C[C@]2(CCCS(=O)(=O)C2)C(=O)O1	111859877	RWUUEGOITRJUND-QMMMGPOBSA-N	218.230	-0.345	50	10	BBGE	
N=C(CCC(=O)OC(N)=O)OC(N)=O	115367555	GIBKAACPPYUMCD-UHFFFAOYSA-N	203.154	-0.539	50	10	BBGE	
CCCCNc1ccc2ncc(B(O)O)n2n1	215928690	XMKGNDFWUFEYBK-UHFFFAOYSA-N	234.068	-0.379	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]2CCC[C@H]21	216322299	HBCVSFMQQAYWKT-IWSPIJDZSA-N	213.281	-0.382	50	10	BBGE	
OB(O)c1ccc(F)c(O[C@@H]2CCOC2)c1	229339075	WGYHZNDLFIYYBX-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
CCN(C)C(=O)[C@H](C)NC(=O)NC(=O)CCl	231874815	BKLXNTBHXDPPMZ-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)O[C@@H](C)C1	232418890	FFRPLVOAVQQYRU-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
O=C1[C@H](Cl)C[C@](O)(C(=O)O)[C@H]1Cl	238650775	KIBWSQKTCBZDRW-CJPQEGFPSA-N	213.016	-0.010	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1cccc(OC)c1	259037140	KFWCTRLBYXJVGL-JTQLQIEISA-N	223.276	-0.184	50	10	BBGE	
C[C@@H](CN1CCC[C@](C)(O)CC1)C(=O)NN	300238241	LVAUMDACYQXVOG-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CO[C@@H]1CCN(CC(=O)NN)[C@@H](C)C1	300909647	OPEJOZIOVBYEKE-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCl	306551851	ISJIITYKGLKIAG-PHDIDXHHSA-N	204.657	-0.005	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)CCS1	306974813	MUAVIIUUWLHYGZ-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
CO[C@@H]1CN(C[C@H](Cl)C#N)C[C@H]1O	307247209	ZPJVSFJOYVZDAU-BWZBUEFSSA-N	204.657	-0.191	50	10	BBGE	
CCOC(=O)[C@H](N)C(=O)NCC(Cl)Cl	308560297	WXUCGLPPSMGCFL-RXMQYKEDSA-N	243.090	-0.203	50	10	BBGE	
CC(C)N[C@@H](C(=O)NNC(=O)CO)C(C)C	309695873	RHHLSJBOHQCPKT-SECBINFHSA-N	231.296	-0.851	50	10	BBGE	
CC[C@H](N=c1[nH]c(CCl)nc(=N)[nH]1)C(N)=O	379212323	FOYXIYQGDJLELE-BYPYZUCNSA-N	244.686	-0.879	50	10	BBGE	
COc1ccc([C@H]2CCCNC2)cc1B(O)O	382645679	WXOXQHYBTTUMBF-JTQLQIEISA-N	235.092	-0.158	50	10	BBGE	
CN(Cc1nncn1C)CC(C)(C)C(=O)NN	383450996	JSRRCBNPWPUHKB-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CO)[C@@H]1C	385687207	OPAYAMOWUDYWIJ-AATLWQCWSA-N	229.324	-0.296	50	10	BBGE	
CC1(C)C[C@H](O)CCN(CC(=O)NN)C1	395773163	IJAURSHZSQGQTP-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
O=CCCc1ccc(CC(=O)O)c(B(O)O)c1	396136718	ZJRAEOHNNOKYAE-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
Nc1cc(B(O)O)cc2cc(C(=O)O)sc12	396244096	LZVLKJPVIDOWFJ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
O=Cc1cc(B(O)O)cc2scc(CO)c12	396341296	SVMKEXSIFJVMOW-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1c(B(O)O)sc2cccc(O)c12	396391560	ZHKPXWMPYYPNMQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCCOCC(=O)Nc1ccnc(B(O)O)c1	404936247	DUSBXQOLKQFCDO-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)Nc2ccc(B(O)O)cc2)O1	404980639	NVMMYOXFXALGHU-KWQFWETISA-N	249.075	-0.128	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	405021568	FQSMFLPGZNSQIR-HTRCEHHLSA-N	220.037	-0.644	50	10	BBGE	
COC(=O)NNS(=O)(=O)N1CCC[C@H]1C	495463291	IDIGQFDGEPPLEC-ZCFIWIBFSA-N	237.281	-0.424	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)c1cccc(B(O)O)c1	584968748	MZLZNIGWJHAKSP-LDYMZIIASA-N	249.075	-0.726	50	10	BBGE	
C[C@]1(C(=O)NNC(N)=S)CCOC1	606277343	CVHQEJIOXRLDCH-ZETCQYMHSA-N	203.267	-0.723	50	10	BBGE	
CCC(C)(C)CCNC(=O)C(=O)NN	686212750	YKNUQAVWLLPDJV-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
CC[C@]1(C)COCCN1[C@H](C)C(=O)NN	687844983	HKBFJJKAWXRHCS-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
CN(Cc1cn(C)nn1)C[C@H](Cl)C(=O)O	689214220	BRPGSIMEQWCRFG-ZETCQYMHSA-N	232.671	-0.061	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2n[nH]cc2N)CC1	692106503	IBNAVVCAIILOHV-UHFFFAOYSA-N	235.247	-0.517	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C2CC2)C1	694828916	JJLBCFPXBMSQMQ-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(COC2)C1	697133830	QMABOFJMWZHONH-QMMMGPOBSA-N	213.281	-0.667	50	10	BBGE	
CC[C@@H](NS(=O)(=O)CCCl)C(=O)NC	697904887	JFNMJLKDRDWVIF-ZCFIWIBFSA-N	242.728	-0.331	50	10	BBGE	
C[C@@H]([C@H]1CNCCO1)N1CCC(O)(C#N)CC1	699650158	WECGVDFJSXOYKT-WDEREUQCSA-N	239.319	-0.286	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC1(C)COC1	702967843	BODWNKXWRKZFPT-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
CCC1(O)CCN([C@@H](C)CC(=O)NN)CC1	707248056	VBAXMGBASXLOHJ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
N#CC1(O)CCN(c2nc(N)n[nH]2)CC1	709378312	QHCOSCUYHAZQEN-UHFFFAOYSA-N	208.225	-0.758	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1CCCN2C	720448804	YQOSVIRCPCQABF-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CC(C)(C)C(=O)NN)C2	723700210	RWQPCBQLEJXKDG-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
Cc1ccnn1Cc1nsc(C(=O)NN)n1	724347084	CKPLBKLPBSKASV-UHFFFAOYSA-N	238.276	-0.305	50	10	BBGE	
O=C(NCCBr)C1=NCN=C1	725600581	JTYMUFMYALXTIS-UHFFFAOYSA-N	218.054	-0.020	50	10	BBGE	
CC[n+]1[nH]ncc1C1=[S+]C(C=O)=CC1	725625500	LPZFOUJJOHKXES-UHFFFAOYSA-O	209.274	-0.193	50	10	BBGE	
C=C[C@@H](C)NC(=O)NNC(=O)[C@H]1COCCO1	756976240	YNQMWAROWQSNME-HTQZYQBOSA-N	243.263	-0.693	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cccc(O)c1	780907805	OXUBQLATFPIDPD-UHFFFAOYSA-N	223.232	-0.105	50	10	BBGE	
CO[C@@H]1CCCC(=NNC(=O)C(N)=O)C1	794461119	ZLQBRIBCBKNKLJ-SSDOTTSWSA-N	213.237	-0.467	50	10	BBGE	
CCOCCC(=O)NNC(=O)c1cnsn1	894289266	KZFIYCNVNHZKTK-UHFFFAOYSA-N	244.276	-0.274	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCC=CO1)c1ncon1	1179588300	IIBDAYGYGGCJCV-LURJTMIESA-N	238.203	-0.477	50	10	BBGE	
CNc1nnc(CC(=O)NNC(C)=O)s1	1290392532	ZDBLMQQJAZIQOF-UHFFFAOYSA-N	229.265	-0.710	50	10	BBGE	
O=C(/C=C\Cn1cncn1)NNC(=O)C1CC1	1331921431	UAFVELXZTRBRQR-UPHRSURJSA-N	235.247	-0.608	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](O)CCSC	1464487370	RYECMTYXSXEKIY-ZCFIWIBFSA-N	235.309	-0.549	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1csnn1	1470051636	VXECSILYAJUDGD-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
O=C(NNC(=O)c1cncs1)c1cc[nH]n1	1584322065	JISJUSPWZTVTET-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1ncon1	1585613905	UBVCZPBFKOBARQ-UHFFFAOYSA-N	223.192	-0.476	50	10	BBGE	
CC(=O)NNC(=O)c1cnn2c1CCC2	1628978406	CJWXQRHGAPFIEL-UHFFFAOYSA-N	208.221	-0.390	50	10	BBGE	
O=C(N[C@H]1CNOC1)[C@@H]1C[C@@H]1Br	1881353111	AJHGACSZVJDYTH-JKUQZMGJSA-N	235.081	-0.211	50	10	BBGE	
OB(O)c1nnc([C@@H]2CCCO2)s1	1884149621	IYZINYBOQZCOAE-BYPYZUCNSA-N	200.028	-0.931	50	10	BBGE	
N=c1nc[nH]n1C(=O)CBr	1887484370	YESDTKNUXRVMLW-UHFFFAOYSA-N	205.015	-0.274	50	10	BBGE	
O=C(C[C@H]1CCC1(F)F)NCC#CB(O)O	1899509979	ODRGHXGWCRRKHU-SSDOTTSWSA-N	231.007	-0.447	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCS1(=O)=O	1900502714	XWZOYUZDNBMOBK-JGVFFNPUSA-N	247.320	-0.962	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)c(F)cn2)C1	1903005525	ICGPTSCFBYMIGW-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@@H](F)C1	1904992271	LVQOLZCXIUSVQT-KNVOCYPGSA-N	226.016	-0.717	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2C[C@H]2F)ccc1B(O)O	1907456056	SBZLTNRGNCOJDC-PSASIEDQSA-N	237.039	-0.029	50	10	BBGE	
C[C@@H](N)[C@@H](O)C(=O)N1CC=C(C#N)CC1	1911226744	HHMQSDXSRQWVBD-VXNVDRBHSA-N	209.249	-0.623	50	10	BBGE	
CC(C)(CCN(CCO)C1COC1)C(=O)NN	1915545757	OIFDBKDIQVZDIU-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCOC2)C1	1915582465	HIEZETPOKAWDRS-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C(F)(F)F	1923410090	GTNVENBLXPOOQW-UHFFFAOYSA-N	213.159	-0.742	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC(O)CC1	1927914021	PUXLFMDFFOXEQH-CBAPKCEASA-N	213.281	-0.931	50	10	BBGE	
Cn1cc(OC[C@@H]2C[C@H]2C(=O)NN)cn1	1927918155	POKACCQJBSDCAZ-POYBYMJQSA-N	210.237	-0.575	50	10	BBGE	
CO[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1931259967	CCZUGIJIULFUFP-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@H]2CC[C@H]21	1931927399	PPJJILRQSFAOKH-RITPCOANSA-N	215.278	-0.917	50	10	BBGE	
CNC(=O)CN(Cc1ccccc1)C(=O)NN	1932041951	LDSWFSYJLLEHRD-UHFFFAOYSA-N	236.275	-0.182	50	10	BBGE	
Cc1cc(=O)n(CC(F)(F)C(=O)NN)cn1	1935940931	GXVHNDUSITVCHB-UHFFFAOYSA-N	232.190	-0.823	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1=O	1935941857	LKEPWKBPRAGPMP-SCSAIBSYSA-N	235.190	-0.993	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(CC(F)(F)C(=O)NN)C2	1936104965	VNYONAPCURTSRY-XPUUQOCRSA-N	235.234	-0.525	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)CCS1	1936535803	PLRPAGSCGZWYKR-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2COC[C@H]21	1941780484	PZPHRKVUIZIXFE-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
CN1CCC[C@H](N2CCC(O)(C#N)CC2)C1=O	1951113180	MATKAVALRHKNJW-JTQLQIEISA-N	237.303	-0.042	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)CCBr	1953746243	ZDAGOOXEZYVYCU-WDSKDSINSA-N	240.097	-0.371	50	10	BBGE	
C[C@@H](CN)SCCOCC(=O)NN	1954402525	LLNJBRGROZULCN-LURJTMIESA-N	207.299	-0.927	50	10	BBGE	
CSCC1CN([C@@H](C)C(=O)NN)C1	1954519384	ZHFHKZHGEPITNW-LURJTMIESA-N	203.311	-0.340	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNC(N)=S)C1	1957318958	QYCIYKOTSMRNLO-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@]12CCSC2	1958163708	AQOJIDVSPOPGPD-VIFPVBQESA-N	229.305	-0.526	50	10	BBGE	
NNC(=O)C1(CSc2ncncc2N)CC1	1975751981	JFLJVORRNQUPDI-UHFFFAOYSA-N	239.304	-0.079	50	10	BBGE	
CCN(Cc1nn(C)cc1C(=O)NN)OC	1980591994	FOSHZEWRCWMKJR-UHFFFAOYSA-N	227.268	-0.593	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)C(C)(C)C	1981413298	FARJIQROKXKQRX-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
COC[C@@H](Oc1nc(B(O)O)cs1)C(C)C	1981424264	QRJBQMLZGOSNRW-SSDOTTSWSA-N	245.109	-0.127	50	10	BBGE	
Cc1ccnc(S[C@@H]2CCOC2)c1B(O)O	1981450661	LLBLTAZFPXQRPH-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
CCOC(=O)[C@@H]1CNCCN1C[C@H](Cl)C#N	1982217013	RXFLYMQNGHMHTM-BDAKNGLRSA-N	245.710	-0.046	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1[C@@H]2COC[C@@H]12	1982276275	KCKVJYKQPFXQHF-WCTZXXKLSA-N	223.228	-0.452	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCC[C@H]1F	1982677579	BEHKHFGZWDYYAG-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
COC1CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	1985356748	IGOOGPXNZGQTDT-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1C[C@@H](C)C(=O)NN	1985717357	YPYWUXZCTAPBKD-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987530310	VPSDNARXMXUACG-RGOKHQFPSA-N	226.324	-0.611	50	10	BBGE	
CN(CCCn1ccc(B(O)O)n1)C1CC1	1990144144	DLJKLKLSRCYRPI-UHFFFAOYSA-N	223.085	-0.953	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)C1COC1	1990773902	BERVYCYCACCTDZ-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCN1CCNC1=O	1991650736	FGTGUSKFVRRWOM-UHFFFAOYSA-N	245.666	-0.551	50	10	BBGE	
OB(O)c1csc(O[C@@H]2CCOC[C@H]2F)n1	1991729453	WWPRYTSCGIADOZ-PHDIDXHHSA-N	247.056	-0.671	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@]12CC2(F)F	1992139384	UDBAKQDTCBWYFM-POYBYMJQSA-N	228.991	-0.837	50	10	BBGE	
CC[C@H]1CC[C@H](Cn2ccc(B(O)O)n2)O1	1993521701	AWHOQSZFHPBLHZ-DTWKUNHWSA-N	224.069	-0.480	50	10	BBGE	
CNCCSC[C@]12C[C@](C(=O)NN)(CO1)C2	1993881754	NCFUSCXVJQWNKR-MGCOHNPYSA-N	245.348	-0.522	50	10	BBGE	
COC(=O)[C@H](CCCl)NC(=O)c1cnn[nH]1	1994361392	PBLDGSIRWLNYCL-YFKPBYRVSA-N	246.654	-0.295	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]1(C)CCO	1994693092	DBJUGWYYUDHFKC-SNVBAGLBSA-N	229.280	-1.000	50	10	BBGE	
CCCN(CC1CCOCC1)C(=O)C(=O)NN	1997247497	GYXYOOPCEPAJNU-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
CC1CC(C)(C(=O)N[C@H](CB(O)O)C(=O)O)C1	1998135467	OYZFYUCGMJGDBH-PRZNWYJVSA-N	243.068	-0.535	50	10	BBGE	
CC1(C)C[C@@H]1CC(=O)N[C@@H](CB(O)O)C(=O)O	1998135935	VJOMJGDSWQMZIP-BQBZGAKWSA-N	243.068	-0.535	50	10	BBGE	
Cc1ccnc(N2CCO[C@@H](C)C2)c1B(O)O	2004919087	ULAZLRNJMVHGGW-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cccnc1N1CC(C(F)(F)F)C1	2004929194	JLBUMUKMCBPODL-UHFFFAOYSA-N	245.997	-0.240	50	10	BBGE	
Cc1nc(N2CCC23CCC3)ncc1B(O)O	2004973353	SZSNKNYKYPYOMU-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
Cc1nc(N2CC[C@H]2C(F)F)ccc1B(O)O	2005018274	QZCMWHSYYFODER-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
CN(C)CCOCc1cc(F)cc(B(O)O)c1	2007005645	CHZFFNZZKXJOFP-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
CN(C)CCCOCc1nc(C(=O)NN)co1	2007019447	BQLFODZDDXQXER-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
C[C@H]1[C@@H](Cn2cc(B(O)O)ccc2=O)C1(F)F	2008839939	FBJGREAGPXAPGQ-POYBYMJQSA-N	243.018	-0.571	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC[C@@H]2CO)C1	2010832342	HKIDHDLRPLNGPI-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014822477	AQLCNYOLTBMCNZ-WPRPVWTQSA-N	242.323	-0.837	50	10	BBGE	
COC[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	2019216066	ZNPBXMVDYCYHEG-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
COCCN(CCC(=O)NN)[C@H]1CCCOC1	2020541937	SXONFLLHKITXOM-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)ccc1O	2021156968	FRLVEBYEOMHICO-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@]12C[C@H](CO1)C2	2025064810	JEAYHLYWTQNLQS-ZOFUNIGCSA-N	237.064	-0.618	50	10	BBGE	
O=C(CC1CC1)NCCc1cccc(B(O)O)c1	2058066562	NFWSIULJJFXANS-UHFFFAOYSA-N	247.103	-0.175	50	10	BBGE	
Cc1c(C=O)ccc(B(O)O)c1[N+](=O)[O-]	2060283050	YSQHOLUYHCRZCO-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
Cc1ncn(C)c1COc1ccc(B(O)O)cc1	2068322635	YZOMVPBUSNQBTR-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CC1(NC(=O)c2cccc(B(O)O)c2)CC(O)C1	2079011790	JJWKMMLFUQHTSK-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
Cn1ncnc1COCc1ccc(B(O)O)cc1	2080347528	TWRISFLHSSUCOA-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
CN(C)CCCOCc1nscc1B(O)O	2211141313	UBLFVFQVFIBMRQ-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
CC[C@@H](CN)Nc1cc(B(O)O)c(C)cn1	2212603636	HYQKPLQVPBLJKQ-QMMMGPOBSA-N	223.085	-0.781	50	10	BBGE	
CSC[C@H](C)COc1ncc(B(O)O)cn1	2212609245	OVDAXGPREYFQDI-SSDOTTSWSA-N	242.109	-0.466	50	10	BBGE	
N#C[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2212615240	MBJZREVXWLRWFO-QMMMGPOBSA-N	217.037	-0.889	50	10	BBGE	
C[C@H](O)CCN(C)Cc1cccc(B(O)O)c1	2214597557	XAPCHJKGWYEZHN-JTQLQIEISA-N	237.108	-0.431	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN(CCO)C1CCC1	2215771449	IFRZAVINKNFPEO-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@](C)(COC)Nc1cc(B(O)O)ccn1	2217175646	LNOPVSGAILVXOT-NSHDSACASA-N	238.096	-0.012	50	10	BBGE	
CC1([C@H](N)COc2ncccc2B(O)O)CC1	2217183139	GHNGHSWSXGWESD-SECBINFHSA-N	236.080	-0.732	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC[C@H]1C(C)C	2217188797	TZVZXWADTBVAEA-VHSXEESVSA-N	245.323	-0.652	50	10	BBGE	
COCC1(Nc2ncc(B(O)O)cn2)CCC1	2217196845	IKLWQOVOOKSDJI-UHFFFAOYSA-N	237.068	-0.863	50	10	BBGE	
C#C[C@@H]1CC[C@@H](Nc2ncc(B(O)O)cn2)C1	2217201385	PJLSKISOTGNMOM-PSASIEDQSA-N	231.064	-0.630	50	10	BBGE	
C[C@H]1[C@H](Nc2ncccc2B(O)O)CCN1C	2217204595	LYHHDTLPTPTDIT-WCBMZHEXSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CC[C@H]1O2	2217205316	XDBBZKAZLBOKED-SZEHBUNVSA-N	234.064	-0.507	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2220797448	VRMZEFFQJRPCCW-GGZOMVNGSA-N	248.091	-0.483	50	10	BBGE	
CN(C)CC1(Nc2ccc(B(O)O)cn2)CCC1	2223675130	UFMONKRPUIGARF-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
CCN[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223679329	OBZINOBHXNASGS-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
O=C(N[C@@H]1CCSC1)C1(B(O)O)CC1	2241473881	RRTLTHJSSPBFLZ-ZCFIWIBFSA-N	215.083	-0.385	50	10	BBGE	
CCOC[C@@H](NC(=O)C#CB(O)O)C(C)C	2243361860	IJIXCROSRUJHBW-SECBINFHSA-N	227.069	-0.821	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)C(=O)C#CB(O)O	2243362926	YMCGCEULPBRLBR-HRDYMLBCSA-N	225.053	-0.974	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243390751	APPYHKQWFRUPMT-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CO[C@H](C)CCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243391198	HSFRVHDTNCOMGT-HRDYMLBCSA-N	229.085	-0.267	50	10	BBGE	
O=C(C#CB(O)O)Nc1ncc([N+](=O)[O-])s1	2243405021	YHESFRBVQDINTG-UHFFFAOYSA-N	240.993	-0.995	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)sn1	2243415449	VFTCWOBLBCUVLF-LURJTMIESA-N	240.093	-0.649	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@H]2B(O)O)co1	2243427505	WMYSCHZUSCAPEK-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
CCOC(=O)c1cc(OC)ccc1B(O)O	2243460328	MKBCICQVIKUNJJ-UHFFFAOYSA-N	224.021	-0.448	50	10	BBGE	
C#CCC(=O)N(C)Cc1cc(B(O)O)cs1	2243664323	LSGUNPTVWAWOAT-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
C[C@H](CF)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	2244133631	YHIRKQXGDCVKRU-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2C[C@H]2C1	2244220240	YCMPKOQVFLMYPM-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCOC)C[C@@H](C)O	2244882713	AIDCAIQMBXJMQT-RKDXNWHRSA-N	233.312	-0.916	50	10	BBGE	
COc1ccc(B(O)O)c(-n2ccnc2C)n1	2247235806	RVDRJZALDOMBKL-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2247737923	LWJKJEUZGHEETF-WRWORJQWSA-N	235.048	-0.559	50	10	BBGE	
CCCONC(=O)c1ccc(F)cc1B(O)O	2247752617	SINAAWVKRXXQCF-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1B(O)O	2247752802	WESVALGKQHYJQD-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ncccc2B(O)O)[C@@H]1C	2247769420	IHRTZMCSEMELRC-SRSLHRDFSA-N	234.064	-0.854	50	10	BBGE	
CC[C@H](O)CN(CC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247784758	ABUGCZQUEKZGPO-AEJSXWLSSA-N	243.112	-0.141	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2C[C@H]2C)c(B(O)O)c1	2247787528	QGCGMOPXSMKPTF-VXNVDRBHSA-N	234.064	-0.792	50	10	BBGE	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792006	PUJODHWRENKRBZ-DTORHVGOSA-N	242.128	-0.127	50	10	BBGE	
O=C(N[C@@]12CCNC[C@@H]1C2)C1CC(B(O)O)C1	2247797283	IAMLPYKHEPCOPK-JIIGURBLSA-N	238.096	-0.892	50	10	BBGE	
CNC1CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247798486	UOBOOGKTRRQVBQ-YDYPAMBWSA-N	240.112	-0.504	50	10	BBGE	
O=C(NCc1cncnc1)C1CC(B(O)O)C1	2247807489	ILUDDVJMWRBBSN-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
CCOCC1CCN(C(=O)C#CB(O)O)CC1	2247849910	GXRPQHLRFISGET-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
CN(CC1CCC1)C(=O)c1coc(B(O)O)c1	2247871858	IJLWCMCYSIDJOF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CC1(CF)CN(C(=O)c2coc(B(O)O)c2)C1	2247872879	ZXVIEHSVCBYOFE-UHFFFAOYSA-N	241.027	-0.609	50	10	BBGE	
Cn1nccc1CNC(=O)C1(B(O)O)CCC1	2247877005	AIVNGAXZDQZWED-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
CC(C)(C)NC(=O)CNC(=O)C1(B(O)O)CC1	2247878960	QSLABAHFAABFHR-UHFFFAOYSA-N	242.084	-0.976	50	10	BBGE	
C[C@](CO)(NC(=O)C1(B(O)O)CCC1)C1CC1	2247879308	SIVBNUQGIGICLS-SNVBAGLBSA-N	241.096	-0.339	50	10	BBGE	
CCC(C)(C)NC(=O)c1cn(C)nc1B(O)O	2247885988	VPLHBHTULKSMMT-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](CO)CC1CC1	2247886372	BCPCITKMHNXCDF-BBBLOLIVSA-N	241.096	-0.531	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2247896937	MCCLQECUSXOKAS-LURQLKTLSA-N	241.096	-0.221	50	10	BBGE	
O=C(NCCC1CCNCC1)[C@@H]1C[C@@H]1B(O)O	2247898556	FNBQDWCOCZTHCD-ZJUUUORDSA-N	240.112	-0.645	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247899650	PAZFRJHGTSBWNE-CIUDSAMLSA-N	241.096	-0.531	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](O)[C@H](F)C1	2247904097	OUJDQQWAMKUCBA-YNTFGVKOSA-N	245.059	-0.829	50	10	BBGE	
N[C@@]12CC[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2247904882	RGFBDRFWNLRXLD-JIIGURBLSA-N	238.096	-0.811	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2[C@@H](O)C[C@@H]21	2247909794	LORGAKNQCJPRBN-SVSWQMSJSA-N	239.080	-0.779	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)C(C)(C)C(=O)O	2248573216	ARPUHTHNOCYAIY-UHFFFAOYSA-N	243.068	-0.295	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1cocc1B(O)O	2249421994	ATHAHPLSFJQLFG-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
CC1(C)CCO[C@H](CCNC(=O)C(=O)NN)C1	2250510214	SQAJVUQBKRSDBR-MRVPVSSYSA-N	243.307	-0.312	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H]2C[C@@H]3C[C@@H]3C2)n1	2254706973	QTEXFGSPQGFLSB-AYMMMOKOSA-N	249.075	-0.053	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ncncc1B(O)O	2255520411	KFXRLXFUFYDVLX-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1n[nH]cc1B(O)O	2255550609	YJZJNGUHHXTMGG-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1ccc(B(O)O)o1	2255714500	RDJIGKWXXZWELD-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cc(B(O)O)oc2C)C1	2255720708	VEUCPQVGNIWNOG-SECBINFHSA-N	249.075	-0.084	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2nccnc2B(O)O)[C@@H]1C	2256059155	VMUBXBOVAPPTGQ-HTQZYQBOSA-N	249.079	-0.973	50	10	BBGE	
O=C(NCc1c[nH]nc1C1CC1)C1(B(O)O)CC1	2257180440	BYLJNABRFSVNGA-UHFFFAOYSA-N	249.079	-0.090	50	10	BBGE	
Cc1c(NC(=O)c2cc(B(O)O)co2)cnn1C	2258136657	YVZIZJPLMKUBIX-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1n[nH]c(C)c1CC(=O)NCCC#CB(O)O	2258959275	PARHVZOCFFRVSA-UHFFFAOYSA-N	249.079	-0.909	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1	2298369165	LFTOANNCHKNZBN-TXXZRHAASA-N	245.034	-0.181	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2COC[C@@H]21	2298370317	VOJFPOIPSMRQGL-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
CO[C@H]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375769	YXNKVIXAIQDDRV-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(F)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463681	UCPOSKAOKJYQDH-PBXRRBTRSA-N	247.031	-0.833	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@@H]1C[C@@H]1C(=O)NN	2301395181	KDBGMPJLVXAVQN-UWVGGRQHSA-N	242.323	-0.978	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](C(N)=O)C1	2302023777	QRZGCTUWNXNTJB-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
CC[C@](C)(CN1CCN(C)[C@@H]2C[C@@H]21)C(=O)NN	2303420452	WWNGGIZOUDGPHG-JFGNBEQYSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC(=O)O)C(C)C	37596267	LTXQTIFYHONENK-UHFFFAOYSA-N	245.279	-0.661	50	10	BBGE	
Nc1ncnc(NNC(=O)c2cccnc2)c1N	40724006	BMVCOLZSBXPNOC-UHFFFAOYSA-N	245.246	-0.207	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCS(N)(=O)=O	45085321	BEULVNWFUGRBLT-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
COC1CCN(C[C@@H](C)C(=O)NN)CC1	82467403	HOSHTIRTMNUHMI-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccccn1	82467743	LWSBDPDSLKSIEK-MRVPVSSYSA-N	208.265	-0.108	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@@H]1CO	82470391	CLNOTBXHDLGHRS-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H](Sc1ncn[nH]1)C(=O)NN	82471848	ZZXPZEBCXHHZFY-SCSAIBSYSA-N	201.255	-0.335	50	10	BBGE	
NNC(=O)CCCCN1CCn2ccnc2C1	110583168	BTKCFCLJKJGXHF-UHFFFAOYSA-N	237.307	-0.141	50	10	BBGE	
O=C(CCl)NCCNC(=O)[C@H]1CCCO1	169917230	JNUZFVAKXSYSAF-SSDOTTSWSA-N	234.683	-0.363	50	10	BBGE	
O=Cc1cc(B(O)O)cc(Br)n1	206085836	QVKGNWOOUMROOE-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@@H](O)[C@H](O)C1	232512422	UVLZFWXXVKTYER-RNFRBKRXSA-N	221.684	-0.185	50	10	BBGE	
CS[C@H]1CCC[C@@H]1NC(=O)C(=O)NN	235093815	LXOPPHIQBRTZRY-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
COc1cc(F)c(F)c(F)c1B(O)O	238347662	CAODTDPCBTUHRO-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
Cc1nn(-c2cccs2)cc1B(O)O	238537032	CEGWHCQLLMLVOI-UHFFFAOYSA-N	208.051	-0.078	50	10	BBGE	
NC(=O)N/N=C1/C=CC(=O)C=C1CCO	238575939	XVXHHWWRGYSLTG-FLIBITNWSA-N	209.205	-0.542	50	10	BBGE	
O=Cc1ccnc(Br)c1B(O)O	238612072	LFIPLMAGKNLUMF-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
C[C@@H]1C[C@@H](N=C=O)CN(S(C)(=O)=O)C1	306773458	IUDZTCHPFLKISI-HTQZYQBOSA-N	218.278	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](O)[C@H]1C	384951608	VKKQJBZJIZGTND-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CO)[C@H]1C	385667613	MQXGJSGIQWPEBH-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)CC2	394363294	FXUSIGAUBRTTKH-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
N#Cc1cc2c(B(O)O)csc2cc1CO	396228120	UIXURXQEHFGUIN-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc2cc(B(O)O)sc2cc1O	396351623	XLKJPUBPUAOLCP-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H](CN1CCN(C2CC2)C[C@H]1C)C(=O)NN	402796489	VJFDUFOPCQHKGY-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@@H]1N=C=S	606276869	JCBWVHUISASKLQ-WDSKDSINSA-N	207.276	-0.099	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1occc1C(=O)NN	688396329	XCKDFGODWQDEKF-MRVPVSSYSA-N	241.291	-0.057	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)C[C@@H](C)CO	688402386	OZZWNZYEKMHOSI-ZJUUUORDSA-N	231.340	-0.049	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)C[C@@H](C)O	692170286	MNVWKIITDBLDCN-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
Cc1cccc(O[C@H]2CCOC2)c1B(O)O	694967265	LDZHHZRLQRCICL-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)[C@H](CO)C1	699455073	HLJWVOZFEBCQRI-IUCAKERBSA-N	217.700	-0.274	50	10	BBGE	
O=C(NCB(O)O)c1cccn1CC(F)(F)F	702021810	IAJOVARWUSDZAV-UHFFFAOYSA-N	249.985	-0.208	50	10	BBGE	
CN(Cc1cnccn1)CC(C)(C)C(=O)NN	704121864	GBZKOYYCGJSMRA-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CN(C)C[C@@H]2C1	706300124	KCSFSJXSGLYTCD-DBIOUOCHSA-N	240.351	-0.506	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1cnc[nH]1	709747951	IYOGOEVSCZDQEN-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
ClCC1CN(CCn2cnnn2)C1	712553059	UOLXRELTRZOTMN-UHFFFAOYSA-N	201.661	-0.156	50	10	BBGE	
O=C(CCl)NC[C@H]1CCCNC1=O	725620893	VASAINIBCPMIQV-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
C[C@@H](CCl)N[S@+]([O])(=O)c1c[nH]n[n+]1C	725702880	OGNNCWQCKIPUNU-UWORMDEDSA-O	239.708	-0.430	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)CC1CC1	819109783	JMZCFEKLASOLAZ-UHFFFAOYSA-N	241.291	-0.150	50	10	BBGE	
CNC(=O)NNC(=O)Cc1ccnc(OC)c1	823429882	FEZXGIHCEYNNKA-UHFFFAOYSA-N	238.247	-0.407	50	10	BBGE	
CC(C)C(=O)NNC(=O)N[C@H]1C[C@@H](C(N)=O)C1	845450214	GMGQNBJQOBJELX-KNVOCYPGSA-N	242.279	-0.763	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1C1CCOCC1	879395601	QOFZGZHBYFSUGN-DTWKUNHWSA-N	242.275	-0.811	50	10	BBGE	
O=C1C[C@H](Cl)NC(=O)N1c1nccnn1	953055052	TUNQYANQCVZAHX-SCSAIBSYSA-N	227.611	-0.117	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCCCC(N)=O	1324263055	XAENWKGPOURZOR-UHFFFAOYSA-N	229.280	-0.165	50	10	BBGE	
N#CSCCCNC(=O)Cn1cnc(N)n1	1448464889	KQYSUZKJHUWLAA-UHFFFAOYSA-N	240.292	-0.419	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1cccnn1	1537027120	RTURINGHFYNMNA-SSDOTTSWSA-N	233.231	-0.213	50	10	BBGE	
O=C(NNC(=O)c1cnnc(O)c1)NC1CC1	1625703121	OETKDHHEVKBCAY-UHFFFAOYSA-N	237.219	-0.711	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(O)cn1	1638574552	VKBOIMJMHHCJMU-SSDOTTSWSA-N	225.248	-0.255	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@@H](N)CCCNC(=N)N	1866120100	VNBCAZZLEKOGFM-BQBZGAKWSA-N	249.746	-0.680	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](O)C[C@H]1CO	1877820682	IXZNMIIWXHBLDU-JGVFFNPUSA-N	221.684	-0.041	50	10	BBGE	
NOCC(=O)N[C@H]1C[C@@H](Br)C1	1880297928	VYAVYWHGPLWEPA-SYDPRGILSA-N	223.070	-0.081	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CC[C@@H]1O	1883626340	FHQBSXQIBKKVFU-RITPCOANSA-N	203.625	-0.053	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CNOC1	1883627315	SWQUFIUNDWLSMB-YFKPBYRVSA-N	204.613	-0.672	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)[C@H](O)CO	1883645947	UEKBKEVJSXANRV-BNHYGAARSA-N	207.657	-0.528	50	10	BBGE	
COC[C@@H](OC(CF)CF)C(=O)NN	1886033893	SJXAQHRTXZWZIU-ZCFIWIBFSA-N	212.196	-0.685	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(CO)CC1	1886374051	FSWGWNXSRKJFBS-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CN(C[C@@]1(O)CCOC1)S(=O)(=O)CCl	1886701742	BCMQADSEVLIQHF-ZETCQYMHSA-N	243.712	-0.404	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@@H](C)CC(=O)NN	1901223369	CFLXGIGZGDAOSH-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1905583326	IBFHJBMSSKFQLA-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccncc1	1913619830	LIAKNNZKHPUAMY-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)C1CCSCC1	1928375306	SKQKBEXWWLMSHJ-ZCFIWIBFSA-N	231.321	-0.376	50	10	BBGE	
N#CC1(O)CCN([C@@H]2COC[C@@H]2N)CC1	1928976183	IIGNQEBSDWKQSD-DTWKUNHWSA-N	211.265	-0.937	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]1CO	1929740771	MIKJJQIXOUMWBD-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](F)[C@H](O)C1	1929909612	ICFKIQQBHOADTN-DKXJUACHSA-N	219.260	-0.985	50	10	BBGE	
C[C@]1(O)CON(C[C@H](O)CBr)C1	1930277476	OKEDADCOKXRGDC-RNFRBKRXSA-N	240.097	-0.260	50	10	BBGE	
COC[C@@H](C(N)=O)N1C[C@](C)(CCl)C1=O	1932162428	VUGGUTQGGFOPFI-RCOVLWMOSA-N	234.683	-0.426	50	10	BBGE	
C[C@]12C[C@@H]1CN(CCOCC(=O)NN)C2	1932250368	WQEHSRAQORHURK-PSASIEDQSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](O)[C@@H](F)C1	1936089715	DQLVJUYUZBFDCB-UYXSQOIJSA-N	231.271	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCS[C@@H](CO)C1	1936089733	FAHCDBKRNWYFBK-DJLDLDEBSA-N	245.348	-0.978	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC(F)(F)CO	1938121547	GEBHWNLPCJKUDE-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C)C[C@@H]1CO	1938236646	LUELJLOMEFGAKB-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3CC2C3)O1	1938563148	COMVLQREHDKPEZ-QLEHZGMVSA-N	225.292	-0.382	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](CO)C2(CC2)C1	1940895326	GRTAQLVIPPKVNX-SSDOTTSWSA-N	249.261	-0.684	50	10	BBGE	
CCCN(CCOCC(=O)NN)[C@@H]1CCOC1	1941784532	QBSKRTPGSUDUKU-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)CC(=O)NN)CO1	1955204794	RUAVOGDULLHNQV-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@](N)(CO)C1	1957243563	YPVBLPNPSHSYEG-IUCAKERBSA-N	217.700	-0.097	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(F)C[C@H]1CO	1958321434	JRDIJBGAHPRHJF-WDSKDSINSA-N	223.223	-0.933	50	10	BBGE	
NNC(=O)CN1CCC2(CCCC2)C1=O	1959567610	KBRXMUSIKPOGDT-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1959720509	NBHAIAVBUGSTQB-UYXSQOIJSA-N	213.281	-0.933	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1962372532	GGOPBPJTKJKUGF-JPVWNNTFSA-N	233.695	-0.044	50	10	BBGE	
O=C(c1ncccn1)N1CCC(B(O)O)CC1	1964500214	HYLAIQFNGXANII-UHFFFAOYSA-N	235.052	-0.444	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N2CCC(B(O)O)CC2)C1	1967573311	PCCSVKIIDWPZKM-WPRPVWTQSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1974541925	VBQSUUGARWOXCG-FNCVBFRFSA-N	213.281	-0.790	50	10	BBGE	
CN(CCC(=O)NN)[C@H](CCO)C(F)F	1975122903	RQKYZGGHCXLQAE-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
Cn1ccc2c1CN(CCC(=O)NN)CC2	1981012911	QCGURAAJEWPAGS-UHFFFAOYSA-N	222.292	-0.237	50	10	BBGE	
CC12CC(C1)N(c1ncc(B(O)O)cn1)C2	1981416753	SJWZUYBKRKCNJP-UHFFFAOYSA-N	219.053	-0.855	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC(F)F)n1	1981468784	IJQONZHCPAHOJT-UHFFFAOYSA-N	231.011	-0.834	50	10	BBGE	
O=C(CC1CCCC1)N[C@H](CB(O)O)C(=O)O	1998131326	UDAKPJDZAFILLI-MRVPVSSYSA-N	243.068	-0.391	50	10	BBGE	
CO[C@H]1C[C@H](OCCCC(=O)NN)C[C@H]1OC	2001615215	WPWQCXJUUHHJEK-OWUUHHOZSA-N	246.307	-0.035	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1C(=O)NC1CC1	2003595639	SXVVFLMPYVBWGR-VXNVDRBHSA-N	240.307	-0.892	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN1CCOCC1	2003809788	BMRJZQHLIMTFLH-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
OB(O)c1cnn(C[C@H]2COCCC2(F)F)c1	2003915141	CINZLKCBMXGTEB-ZETCQYMHSA-N	246.022	-0.765	50	10	BBGE	
CN(C[C@H]1CC1(C)C)c1ncc(B(O)O)cn1	2004911973	NHMKQDXCYQNHMA-MRVPVSSYSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2004934605	HPWVABPUYYAJRM-REIXXSIJSA-N	230.076	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@H](CCO)C1	2005060216	HTDDMIBELAOJIQ-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010834429	CMMJHLICTGBLJR-DJLDLDEBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H]1CC(N)=O	2011913258	SOXNHFONBHWIGS-VIFPVBQESA-N	242.323	-0.514	50	10	BBGE	
CCc1ccn(-c2ccc(B(O)O)c(C)n2)n1	2012153575	HFURXMJTOCHWAT-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2C[C@H]2F)c(B(O)O)c1	2014735250	MVULGGMYNKPPDE-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CO[C@@H]2CCOC2)O1	2018243041	OXJXXLDCVZEOHG-KXUCPTDWSA-N	244.291	-0.281	50	10	BBGE	
CCc1cc(B(O)O)ccc1OCCN(C)C	2020685900	OHVDFMVFVGWVQD-UHFFFAOYSA-N	237.108	-0.131	50	10	BBGE	
CN(C(=O)c1ccccc1B(O)O)C1CCC1	2022196602	OODLDFRWXMUXPW-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
CC[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1CO	2025430992	BPZIPLHAVUKCSR-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](OCCCO)C1	2026093319	FYNHJEBPZOFDQD-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCn1nnc2cc(C(=O)NNCCO)ccc21	2031851195	YJRFIYJNCNDNOU-UHFFFAOYSA-N	249.274	-0.322	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)c1ncccc1B(O)O	2052499648	WWVBQIOFXSEFAT-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)C=C[C@@H]1CCOC1	2059309394	MNERTKLKUBIJOO-VHSXEESVSA-N	228.292	-0.077	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CCO[C@H]2C1	2065202128	IRUFBRXGKUNBOF-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
Cc1ccc(OCc2ncn(C)n2)c(B(O)O)c1	2077056317	SORKWTGSFBKXGI-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
O=C(NC[C@H]1CCCO1)c1ccccc1B(O)O	2079010813	UMOVOCCFKBESPR-SECBINFHSA-N	249.075	-0.725	50	10	BBGE	
OB(O)c1csc(CN2C[C@H](F)[C@@H](F)C2)c1	2211077157	DPPPYAWLYRKAEV-IUCAKERBSA-N	247.075	-0.080	50	10	BBGE	
CC(C)[C@H](OC[C@H]1CCN(C)C1)C(=O)NN	2211767127	NCBWXWJYQUCFAR-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CO1	2212601556	POZUSTVKNWEFPJ-IONNQARKSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccc(N2CCC=CCC2)nc1	2212602320	BRNGURIPWAFCNC-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN(CCO)C1CCC1	2215771450	IFRZAVINKNFPEO-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23COC[C@H]2C3)nc1	2217171533	BNZOHBSZTGPNPY-KCJUWKMLSA-N	234.064	-0.790	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]3C[C@@H]3C2)[nH]c1	2217171625	CSAXSCAKJGUVEZ-AYMMMOKOSA-N	233.080	-0.964	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNc1ccc(B(O)O)cn1	2217179323	JJUGSOZLYJJEAR-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
Cc1cocc1CN=c1ccc(B(O)O)c[nH]1	2217181383	OZVIXLMHBCMZCC-UHFFFAOYSA-N	232.048	-0.303	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1cc(B(O)O)ccn1	2217186452	KPLXCOKGYYFEII-SCZZXKLOSA-N	237.064	-0.435	50	10	BBGE	
C=CCC[C@@H](N)COc1cc(B(O)O)ccn1	2217191318	CEBHHNABWBTCQP-SNVBAGLBSA-N	236.080	-0.566	50	10	BBGE	
OCCN(Cc1cccc(B(O)O)c1)C1CCC1	2220058653	MLCWRPKWXRSENK-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
N[C@H]1CCN(c2cc(B(O)O)ccn2)C2(CC2)C1	2223627314	MHXWUFCWISEACH-JTQLQIEISA-N	247.107	-0.779	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C12CC(CO1)C2	2223628049	ORRYVJOLMJYVQK-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1cccnc1NC1CN(CC2CC2)C1	2223639721	SPDSXWRMSLNROI-UHFFFAOYSA-N	247.107	-0.733	50	10	BBGE	
Cn1cc(CCNc2ncccc2B(O)O)cn1	2223667201	QRUJLJLNKQADTQ-UHFFFAOYSA-N	246.079	-0.851	50	10	BBGE	
OB(O)c1ccnc(NC[C@]23COC[C@H](C2)C3)c1	2223680165	ZHPULCZCXBKJSX-WVSHTKLVSA-N	248.091	-0.400	50	10	BBGE	
C[C@]12CO[C@](COCC(=O)NN)(C1)C2	2241410679	CBCXOLZNLOSIJS-DTORHVGOSA-N	200.238	-0.438	50	10	BBGE	
O=C(NCCOC1CC1)C1(B(O)O)CCC1	2243348230	VRBOLNKGSANCBS-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)c(C)c1	2243367378	RXSYFODTYRTRFG-UHFFFAOYSA-N	221.065	-0.185	50	10	BBGE	
O=C(Nc1cc[nH]n1)c1cc(B(O)O)cs1	2243385574	KYTSZHYATCPSMB-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243391248	IFMCSZBCYOGQFG-HXFLIBJXSA-N	226.085	-0.955	50	10	BBGE	
CN(C[C@H]1CCN1)C(=O)C1CC(B(O)O)C1	2243392066	QZMFXDWBOSJGJH-AMDVSUOASA-N	226.085	-0.940	50	10	BBGE	
CC1(C)CCN(C(=O)C#CB(O)O)CCS1	2243399066	JRWCVEYFEXGMOQ-UHFFFAOYSA-N	241.121	-0.254	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CN1	2243408441	NEGRMXLSXBYKNW-JGVFFNPUSA-N	226.085	-0.798	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C1(B(O)O)CC1	2243408863	WRALDAXBOFMCRB-SYHAXYEDSA-N	221.065	-0.236	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC1CC1	2243409030	AAMDPCCXAHUUFE-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
O=C(N1CC(CCCO)C1)C1(B(O)O)CC1	2243410002	SYGMGWKZLOWUJY-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
O=C(NCCc1nncs1)C1(B(O)O)CC1	2243410863	JBEJFAMUPPMIQP-UHFFFAOYSA-N	241.081	-0.796	50	10	BBGE	
CCC[C@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243415621	YUDVEXNBTBHDJS-CIUDSAMLSA-N	228.101	-0.517	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)sn1	2243426034	DEGAKVKYXXKVGF-YUMQZZPRSA-N	240.093	-0.069	50	10	BBGE	
CC#CC(=O)N(C)Cc1sccc1B(O)O	2243669791	WWSPYHZGHLETGF-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)C(F)F	2243679343	WSTOLPJXQCXNLL-UHFFFAOYSA-N	232.954	-0.291	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)CC1COC1	2243968800	SBMHKFUJWMTOPD-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@H](C(=O)O)C[C@H]21	2244408804	DFSNHFPCXQLNAA-BWZBUEFSSA-N	227.264	-0.032	50	10	BBGE	
CN(C)CCOc1cc(B(O)O)c(Cl)cn1	2245917489	PZOUZLBZWZZMAU-UHFFFAOYSA-N	244.487	-0.645	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@]2(CO)C1)C1(B(O)O)CCC1	2247721137	AEPHRXPKAFQVKH-WPRPVWTQSA-N	239.080	-0.776	50	10	BBGE	
CC(C)CCONC(=O)c1coc(B(O)O)c1	2247734125	FNEHUYDEJAXFBO-UHFFFAOYSA-N	241.052	-0.333	50	10	BBGE	
CC[C@@H]1C[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247735088	KDGJOEVMKGXQPM-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@]12CCCO2	2247742467	PBVKHEQAQDCRGV-MWLCHTKSSA-N	237.064	-0.828	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1ccc(B(O)O)o1	2247744515	UHTLNEBKYUAEHE-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
CC[C@H](NC(=O)c1occc1B(O)O)C1CC1	2247751122	SWAVHKIEBQYEHQ-VIFPVBQESA-N	237.064	-0.122	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)c(C)c1	2247752192	KMKQNUXTYMQUTM-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC(F)C1	2247752447	PMZIIWVCHGBOOX-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
O=C(c1ncc(B(O)O)cc1F)N1CCCC1	2247755143	HBDMGEPOZNEYOB-UHFFFAOYSA-N	238.027	-0.864	50	10	BBGE	
CC(C)[C@H](C)[C@H](N)CNC(=O)C1(B(O)O)CC1	2247757356	QERHSQJEZLVWQD-DTWKUNHWSA-N	242.128	-0.271	50	10	BBGE	
O=C(NC1(CCO)CCC1)[C@H]1C[C@H](B(O)O)C1	2247793199	WLTPWKREHYQCFI-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2(CC1)CNC2	2247805460	KGIZZIDMUFXACG-DTWKUNHWSA-N	238.096	-0.939	50	10	BBGE	
O=C(NC[C@H]1OCC[C@H]1F)C1CC(B(O)O)C1	2247809466	PIFDVPWDGFELGU-GEPGNKONSA-N	245.059	-0.517	50	10	BBGE	
N#C[C@]1(C2CC2)CCN(C(=O)C#CB(O)O)C1	2247846556	IQTVEOJBHQWZPF-LLVKDONJSA-N	232.048	-0.846	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2[C@H](O)C[C@H]2C1	2247858401	DRTDPBJPVAUHCY-IRWNXEEJSA-N	239.080	-0.921	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1ccoc1B(O)O	2247869660	WJJHCSCNMGPIDL-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
CC12CC(C1)N(C(=O)c1occc1B(O)O)C2	2247878904	QBJTXCXAAMASHP-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
CCN(O)C(=O)c1ccc(OC)cc1B(O)O	2247892266	XCUBKJSIZZGCTQ-UHFFFAOYSA-N	239.036	-0.774	50	10	BBGE	
CCCC[C@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894784	KUTFQEIDNBROPZ-OPRDCNLKSA-N	242.128	-0.127	50	10	BBGE	
CN(Cc1nccn1C)C(=O)[C@@H]1C[C@H]1B(O)O	2247897763	WRMIBSIUBKMZFJ-HTQZYQBOSA-N	237.068	-0.759	50	10	BBGE	
O=C(NCCCn1cccc1)[C@@H]1C[C@H]1B(O)O	2247897851	XKROYVMUWCSWCP-NXEZZACHSA-N	236.080	-0.143	50	10	BBGE	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C2(CC2)C1	2247899591	OMQYLXORHGRZLF-HLTSFMKQSA-N	238.096	-0.668	50	10	BBGE	
CC1([C@@H](NC(=O)C2(B(O)O)CC2)C(=O)O)CC1	2248592924	HVMBHCAZKSUOGW-LURJTMIESA-N	241.052	-0.637	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1cocc1B(O)O	2249411842	UNWHFPHEMIOKBK-ONGXEEELSA-N	237.064	-0.122	50	10	BBGE	
CC(C)n1cnnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2250325880	CPGSGPFDGWJVFI-RNFRBKRXSA-N	238.056	-0.340	50	10	BBGE	
COCCN(CCCCC(=O)NN)C[C@H](C)O	2250551773	JZEZKYUXSWVXNG-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255453980	UIUASSVKUYTZJK-BXKDBHETSA-N	249.075	-0.169	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1Cc2ccccc2O1	2255467327	LKNVHMVXBSGSJG-SNVBAGLBSA-N	245.043	-0.878	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1occc1B(O)O	2255489415	STYQQOHBDLOKST-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
C=CCN(CC=C)C(=O)c1ncccc1B(O)O	2255520149	HOBUBOFRRRXHFE-UHFFFAOYSA-N	246.075	-0.424	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1c1ccncc1	2255681361	RVAVYVNDNWVSHH-LLVKDONJSA-N	244.059	-0.240	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CC[C@H]2C[C@H]21	2255690432	AMXIELUBGRHAQI-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)cc2F)CC1	2255726920	ISLOENOBEMXEHE-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(NCc1cccc(CO)c1)C1(B(O)O)CC1	2255745071	MTJDEZZEKUDQKZ-UHFFFAOYSA-N	249.075	-0.198	50	10	BBGE	
C#CCCC(=O)NCc1ccc(C)c(B(O)O)c1	2264094060	PGVBWZZFBLLXAN-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	2298165243	MIRGZDUKMJCLCP-MMWGEVLESA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H]2[C@@H]1CO	2298165863	CYIIWQDMZBZYBP-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]2[C@@H]1CO)C1(B(O)O)CCC1	2298368164	QPFDEOXWQXRYIW-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298374856	QAWOELDDXJPFSG-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1C	2298376522	ZXSXGUSNVOJIKG-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC2CC1(CO)C2	2299755326	AADGRJHHIYXDSU-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CN1CCc2nccn2CC1)C(=O)NN	2300205144	PZIKHAPQYFCFPP-VIFPVBQESA-N	237.307	-0.633	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC12COC2	2300366501	FGEJKLGDBBLCNC-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1cncc(C(N)=O)c1	2300922110	WFGFPNOZLBABKW-ZCFIWIBFSA-N	238.247	-0.672	50	10	BBGE	
C[C@H](O)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301347217	YQYVTYQDBIKLKQ-SFYZADRCSA-N	234.064	-0.581	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1Cc2ccccc2O1	51087844	XUZWYZUFQCUGBB-QMMMGPOBSA-N	235.243	-0.904	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@@H]1CCC(=O)N1	70681392	LNEZGYFJTIYQFU-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
C[C@H]1CCc2nn(C)c(=O)c(C(=O)NN)c2C1	77067650	DDIYKXIJCZXGDK-LURJTMIESA-N	236.275	-0.491	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nncn1C	82471950	QPWVTMQXMGYHKU-YFKPBYRVSA-N	215.282	-0.324	50	10	BBGE	
O[C@H](CBr)CN1CC[C@H](O)C1	156325465	CACMIHHOPCKPKR-NKWVEPMBSA-N	224.098	-0.191	50	10	BBGE	
CC(=O)N[C@@H]1COC[C@@H]1C(=O)CCl	156807020	IPZFRMNCQGELPG-NKWVEPMBSA-N	205.641	-0.055	50	10	BBGE	
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O	195201536	JIYMMGWJMWSCOO-UWVGGRQHSA-N	244.144	-0.097	50	10	BBGE	
O=C1C[C@@H](I)CNN1	206457718	LFXQJUFAMMNFBN-GSVOUGTGSA-N	226.017	-0.186	50	10	BBGE	
CC[C@@H](B(O)O)N1CC[C@@](N)(CC)C1=O	207483339	HUOKOGYFAKXCGK-CBAPKCEASA-N	214.074	-0.883	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2cnnc2C1	211782762	MBGDSBDAKUGGKP-MRVPVSSYSA-N	238.295	-0.748	50	10	BBGE	
COc1cc(C2(C)COC2)ccc1B(O)O	232322096	IAHYHXLBWLGPAJ-UHFFFAOYSA-N	222.049	-0.337	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H]1CO	251517346	JBIKVNMHRZUZRU-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)CCN1C	251839841	QRKVRFKEWANQBT-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CS(=O)(=O)c1ccc([C@H](N)C(=O)NN)cc1	258986057	KJSCIMSDEDYJKA-QMMMGPOBSA-N	243.288	-0.920	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2ncoc2c1	259007322	NPHJGPRTGUGOET-QMMMGPOBSA-N	206.205	-0.183	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@@H](O)C1	306717171	GLVQNMDNZWGWQA-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
C[C@@]1(O)CCC/C(=N\NC(N)=O)[C@H]1O	306782582	KOLJHRKQGBHBCP-VACIDYQJSA-N	201.226	-0.694	50	10	BBGE	
NNc1cccc(B(O)O)c1CBr	306923136	YTGIHTVHALHBRU-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@]1(C)CN	309446400	POGNFZZVQMAUPE-KKZNHRDASA-N	228.340	-0.471	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCN(C)CC1	313758241	HODAYEHMYAQCQS-UHFFFAOYSA-N	248.135	-0.578	50	10	BBGE	
NNC(=O)c1csc(Cn2ccnc2)n1	328439369	ZDZTWVUWVPGSFF-UHFFFAOYSA-N	223.261	-0.009	50	10	BBGE	
O=S(=O)(CCCl)NCc1cnc(O)[nH]1	379582221	NSVWQAVIYRUQMX-UHFFFAOYSA-N	239.684	-0.227	50	10	BBGE	
COc1ccc(CCC#N)cc1B(O)O	396033002	OKUOAVAAJOZNLJ-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H](C)OC1	401586718	TVPQNPVPXWLCNS-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
OB(O)c1cccc(CN[C@@H]2CCCOC2)c1	585037678	GVVOASTWDPZYML-GFCCVEGCSA-N	235.092	-0.365	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@]12COC[C@@H]1C2	689285224	DXQLTVQMMYENLC-GMOBBJLQSA-N	241.335	-0.031	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)[C@@H]1CCN(C)C1	693430227	BRVWLPOFBBLPLG-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
OB(O)c1cnn(C[C@H]2Cc3ccccc3O2)c1	694536371	QUKBMTWYBGWAGY-LLVKDONJSA-N	244.059	-0.433	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CN(C)C[C@@H]2C1	706302818	PXKZMTXZQJCDOF-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
CS[C@H]1CCC[C@@H]1N(C)C(=O)C(=O)NN	707270338	DDXKCGFNWIOPBB-BQBZGAKWSA-N	231.321	-0.281	50	10	BBGE	
CNNC(=O)CSc1nncn1C1CC1	707522921	MZYLTBRUJDMAGK-UHFFFAOYSA-N	227.293	-0.044	50	10	BBGE	
OB(O)c1cc(F)ccc1OCC[C@H]1CO1	718545583	YBKIKFJCLPEDOP-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
O=C(CCl)NCCC1(O)CCNCC1	722385855	LIKDMGUKJNJROF-UHFFFAOYSA-N	220.700	-0.154	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=CC2(F)CC2)N1	863153709	ZJANUTAKQSXDTO-LURJTMIESA-N	213.212	-0.131	50	10	BBGE	
CO[C@H](C(=O)NN(C)C(N)=O)[C@H]1CCOC1	1118753161	UIFPBOUSVTWLNV-BQBZGAKWSA-N	231.252	-0.920	50	10	BBGE	
O=C(NNC(=O)c1ccsn1)c1cn[nH]c1	1131522963	HWSBPXKNNKWWBG-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
OB(O)c1cccc(F)c1CN1C[C@H]2C[C@H]2C1	1232756367	POXPTYOWNCQUGY-DTORHVGOSA-N	235.067	-0.043	50	10	BBGE	
NC(=O)[C@H](CO)NC(=O)C1CCC(Cl)CC1	1347054493	AARFGZQMFWXEPB-RRQHEKLDSA-N	248.710	-0.254	50	10	BBGE	
CN(NC(=O)C1(C#N)CCOCC1)C(N)=O	1596547134	QQHVLWVNYBUILS-UHFFFAOYSA-N	226.236	-0.652	50	10	BBGE	
CN(NC(=O)c1cnc2nccn2c1)C(N)=O	1632039202	FYEPPEHJOQHOJB-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
C[C@H](CCN(C)C)C(=O)NN(C)[C@H](C)CO	1639064427	MUFOIMRBHGVPBR-NXEZZACHSA-N	231.340	-0.082	50	10	BBGE	
C[C@@H](CCl)C(=O)NC1(CO)COC1	1882927953	LROYFUDCITYYTC-LURJTMIESA-N	207.657	-0.261	50	10	BBGE	
O=C(NCC#CCCl)[C@@H]1COCCO1	1884810381	NWOORNFBGBUQCM-QMMMGPOBSA-N	217.652	-0.240	50	10	BBGE	
COC(=O)C(=O)NCCSSCCN	1885644684	GQYOQFAWPBHNMT-UHFFFAOYSA-N	238.334	-0.384	50	10	BBGE	
O=C(F)N1CCN(C[C@H](O)CO)CC1	1887185979	GYRIRXOEDJFUHN-ZETCQYMHSA-N	206.217	-0.953	50	10	BBGE	
CC[C@@H](Cl)C(=O)NN(C)S(C)(=O)=O	1888564252	ZQZZEVOSRLVMDW-RXMQYKEDSA-N	228.701	-0.074	50	10	BBGE	
C[C@](F)(C(=O)NNCCO)C(F)(F)F	1888972704	HJYQAYMZIYTZOM-YFKPBYRVSA-N	218.150	-0.110	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893468904	CRVFKXNNRGRYMQ-NGJRWZKOSA-N	219.668	-0.263	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](Cn2cncn2)O1	1896930589	WHCSYEPRTNXNMT-SFYZADRCSA-N	225.252	-0.794	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCS1(=O)=O	1900502713	XWZOYUZDNBMOBK-HTQZYQBOSA-N	247.320	-0.962	50	10	BBGE	
CC(C)=C(CN1CC[C@@H](N(C)C)C1)B(O)O	1901618661	VGDKMYJLLGBQID-SNVBAGLBSA-N	226.129	-0.029	50	10	BBGE	
CC(C)=C(CN1C[C@@H](C)CS1(=O)=O)B(O)O	1901629297	ZWGJISFBPPAJMG-MRVPVSSYSA-N	247.125	-0.384	50	10	BBGE	
C[C@]12CO[C@](C(=O)NNCCO)(C1)C2	1904564013	TUGAYPVUNUINFE-DTORHVGOSA-N	200.238	-0.831	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)[C@@H]2CC[C@@H]21	1909252367	PFOAEDQAIUVAAJ-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@]12CCOC2	1915573044	NINKSXIVVASNGJ-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(CCC[C@@H]2O)C1	1918418887	QKQUYOROTAOZIW-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
N#Cc1nccn1C[C@H]1C[C@@H]1C(=O)NN	1927910096	CQUJTXNYSLJQOG-RQJHMYQMSA-N	205.221	-0.619	50	10	BBGE	
O=C(Cn1cnnn1)NCCCBr	1928696061	JSRYZMSZSLNWOG-UHFFFAOYSA-N	248.084	-0.426	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1C(=O)NNCCO	1929835284	PZKACJJKUTXTER-RQJHMYQMSA-N	216.237	-0.900	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](F)[C@H](O)C1	1929911412	WGOOALJAYCQERR-GJMOJQLCSA-N	219.260	-0.840	50	10	BBGE	
NNC(=O)CN1CC(CC(F)(F)F)C1	1932116038	PUGSCIIBPVFPGG-UHFFFAOYSA-N	211.187	-0.140	50	10	BBGE	
C[C@@H]1C[C@@H]1OC[C@@H]1CC[C@H](C(=O)NN)O1	1932202535	CGBIFXDRBUGICY-XAVMHZPKSA-N	214.265	-0.051	50	10	BBGE	
C[C@@H](c1cncs1)N(C)C(=O)C(=O)NN	1934613057	ODJWQEMEUUOQAX-YFKPBYRVSA-N	228.277	-0.348	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@H]1C[C@@H](O)C1	1935929180	CMXWVSFTKBXSTF-KNVOCYPGSA-N	237.250	-0.686	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCCOC1	1936094242	LORQAADSOFGMLO-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
O=C(CCn1cncn1)N[C@@H]1COC[C@H]1Cl	1937146860	QQTUAVNTPAOCGP-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)CO1	1938245792	AOIROTONYQNNNG-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@]1(OC)CCN([C@@H](C)CC(=O)NN)C1	1946474882	QFRWCSGALXGBCD-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H](CCS(C)(=O)=O)[C@@H](O)C#N	1951361458	SPQFGHOFQYRXGX-BQBZGAKWSA-N	207.251	-0.679	50	10	BBGE	
CCN(CC)[S@@](C)(=O)=NC(=O)NN	1953874382	JHJVSUQDKZLQGO-ZDUSSCGKSA-N	208.287	-0.076	50	10	BBGE	
O=S(=O)(NCC(Cl)Cl)N1CC(O)C1	1954225456	XMLQLHSGDJXJPV-UHFFFAOYSA-N	249.119	-0.699	50	10	BBGE	
O=S1(=O)CC=CCN1C[C@@H](O)CCl	1954862060	HVLBCRNXNLQUNG-ZETCQYMHSA-N	225.697	-0.212	50	10	BBGE	
O=C(C[C@@H]1CNC[C@H]1O)NCC(Cl)Cl	1957225292	HCCJMVIJJVHHLD-PHDIDXHHSA-N	241.118	-0.123	50	10	BBGE	
CC(=O)NNS(=O)(=O)CC(C)(C)C#N	1957286478	FAIKASFLJMUKEO-UHFFFAOYSA-N	219.266	-0.493	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1960271105	AKPQMIMKUXJBJQ-QNSHHTMESA-N	213.281	-0.931	50	10	BBGE	
CCN(C[C@@H](O)CCl)[C@@H]1CC(=O)NC1=O	1961459203	ZXHVRMOVGRCHRP-NKWVEPMBSA-N	234.683	-0.677	50	10	BBGE	
COCCSc1ncc(B(O)O)c(C)n1	1961709839	DGVRFDJUXAUIKF-UHFFFAOYSA-N	228.082	-0.797	50	10	BBGE	
NNC(=O)CCN1CCC2(CC1)COC2	1974882176	JUTPSVTYLHEDGL-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C[S@](C)=O)C1	1979480017	MKYLWPXFWKKWTQ-DELOJEAUSA-N	247.364	-0.689	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@@H](O)C1	1980522259	YAPHWZALGIRXLA-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CCOCCOc1cc(C)c(B(O)O)cn1	1981421589	BQXRIESHWFJZRW-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](CF)C1	1981423328	BZXOMOFTBCUKAF-MRVPVSSYSA-N	224.044	-0.443	50	10	BBGE	
CCN(CC1CC1)c1ccncc1B(O)O	1981426044	LVJLJWYVHSCEHW-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)C[C@@H](C)Cl	1982342833	GLJSIMDFNKICMM-SFYZADRCSA-N	248.710	-0.023	50	10	BBGE	
CN(C)C1CC(CN2CC(=O)OC(=O)C2)C1	1986646919	LVXNFQQPXZOHPY-UHFFFAOYSA-N	226.276	-0.288	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC=CC[C@H]21	1990777281	XUPFRNPKCXETEN-NXEZZACHSA-N	223.276	-0.196	50	10	BBGE	
NNC(=O)c1cc(Cn2cc(F)cn2)on1	1992091181	XTFYXTSQOVESPS-UHFFFAOYSA-N	225.183	-0.338	50	10	BBGE	
CO[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)NN	1998883815	KPHGBDQMBWCIQB-YUMQZZPRSA-N	243.307	-0.314	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](CN(C)C)C1	2003922202	IIVXIRZEMNQFMC-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
COC[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2004918538	MXRFWVQTFCUQHC-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cccnc1-n1ccc(C2CC2)n1	2005007578	JLOBZXNUQCEQBK-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
COCc1ccc(CNC(=O)C(=O)NN)cc1	2006788354	RGRLJHFHYYZDEF-UHFFFAOYSA-N	237.259	-0.561	50	10	BBGE	
C=CCCCn1cnc2c(B(O)O)ncnc21	2007064909	OZKXGHDHKWYPPZ-UHFFFAOYSA-N	232.052	-0.528	50	10	BBGE	
CCC[C@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008979289	HXJHYODHODIQNZ-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCC[C@H](C1)N2C)C(=O)NN	2014266499	XSKQEZANGNWYAT-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H]2CCCCC[C@H]21	2017526065	YZABINHQGOAFCT-BDAKNGLRSA-N	241.291	-0.464	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC=C2B(O)O)CO1	2020066872	ANBYWDXMCDPHGG-KHQFGBGNSA-N	239.080	-0.372	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H](C2)O3)n1	2021438479	ZDTHYDKGANJWPJ-KNVOCYPGSA-N	238.247	-0.749	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@@]2(CO)C1	2021658370	ZXLBQASYOQUFJO-CBAPKCEASA-N	249.261	-0.684	50	10	BBGE	
CC[C@@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	2022364670	MEWFMGHKCINUSD-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
Cc1ccn(CC23CC(C(=O)NN)(CO2)C3)n1	2023839735	ULPZWKIHZSDMQO-UHFFFAOYSA-N	236.275	-0.269	50	10	BBGE	
CCC[C@H](C(=O)NN)n1cnc2c(N)ncnc21	2026873674	HNUUMJQPUDXJQS-ZCFIWIBFSA-N	249.278	-0.260	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2COCC[C@H]21	2052467800	VLVBLWJSESZWKZ-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
O=C1COC2(CN1)CN(C(=O)[C@H]1C[C@@H]1Cl)C2	2208840764	AGGXJYNOZHKLNS-BQBZGAKWSA-N	244.678	-0.659	50	10	BBGE	
C[C@H](OC[C@H]1CCN(C)C1)C(=O)NN	2209887151	SKAGMJRDVYTKJE-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
N#CCN(CC#N)C[C@H]1CC[C@@H]1C(=O)NN	2211837919	ABRVCOPJTHCSCG-BDAKNGLRSA-N	221.264	-0.648	50	10	BBGE	
C[C@H](N)CSCC1(C(=O)NN)CCOCC1	2212442027	GOUOSWUFQLUASK-QMMMGPOBSA-N	247.364	-0.147	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@H](C)N)cc1B(O)O	2212606226	QMUYGBVBESTWQM-JGVFFNPUSA-N	224.069	-0.816	50	10	BBGE	
OB(O)c1ccc(NCc2cocn2)nc1	2212615707	SZNAILHYRICLHQ-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)CC1(CO)CC1	2215772111	LYWRYYDMULKISQ-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
CC(C)CN(CCO)C[C@H]1CC[C@@H]1C(=O)NN	2215778081	XEWVNLRGFXIOEJ-MNOVXSKESA-N	243.351	-0.047	50	10	BBGE	
CN1CC2(CCN2CCCCCC(=O)NN)C1	2216599174	ZNWZOYWTTQLHBC-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(C)[C@@H](O)CN(C)c1ccc(B(O)O)cn1	2217201601	DWMYGBHMERVOEY-JTQLQIEISA-N	238.096	-0.786	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cnc1=O)C1CCC1	2217413090	SFULNRJBPUHHGF-MRVPVSSYSA-N	236.080	-0.641	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCCN1	2220064588	OPVPGQASJXFEOT-NSHDSACASA-N	248.135	-0.450	50	10	BBGE	
CN[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)CC1	2223628213	PZCJLXXAMSOMIU-PHIMTYICSA-N	249.123	-0.296	50	10	BBGE	
CSC[C@@H](C)NC(=O)C1(B(O)O)CC1	2241479236	UJXJDAFOKGQDMS-ZCFIWIBFSA-N	217.099	-0.139	50	10	BBGE	
CCn1c(O)cc(=O)n(C(=O)OCCl)c1=O	2243063745	IRUOQSNMLYCQFW-UHFFFAOYSA-N	248.622	-0.084	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2243356636	LAIDHGFZNUBTDO-RNFRBKRXSA-N	222.053	-0.825	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2243356723	MBXPNUUKBKODEY-SSDOTTSWSA-N	220.037	-1.000	50	10	BBGE	
C[C@@]1(CCNC(=O)C2(B(O)O)CC2)CCN1	2243366046	WROZCUHTQNDBLY-SECBINFHSA-N	226.085	-0.748	50	10	BBGE	
O=C(N1CCOC[C@H]1CF)C1(B(O)O)CC1	2243366251	ZIQGJDVDSWBBRW-SSDOTTSWSA-N	231.032	-0.810	50	10	BBGE	
CC(C)=CCNC(=O)c1csnc1B(O)O	2243378018	LHIGMRMTGOIDHN-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243391289	IULBVICOHZLMBO-NRPADANISA-N	226.085	-0.811	50	10	BBGE	
CC[C@H](C)[C@H](O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243391374	JZHMQRFQPPLKDH-XSPKLOCKSA-N	229.085	-0.628	50	10	BBGE	
CN(Cc1cncs1)C(=O)[C@H]1C[C@@H]1B(O)O	2243396619	ONPFSTWECIFSKW-YUMQZZPRSA-N	240.093	-0.036	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C[C@H]1CC2(F)F	2247737049	BPBZUFYHELFYLO-RNJXMRFFSA-N	243.018	-0.448	50	10	BBGE	
CN(CC1(C(F)(F)F)CC1)C(=O)C#CB(O)O	2247740866	QQVPCRQUFBAXCM-UHFFFAOYSA-N	248.997	-0.197	50	10	BBGE	
CCOc1ncccc1NC(=O)C#CB(O)O	2247741632	CHAOYDPVQRYSJD-UHFFFAOYSA-N	234.020	-0.566	50	10	BBGE	
COC[C@@]1(NC(=O)C#CB(O)O)CC=CCC1	2247741844	GPWOHBMJRWLDET-LLVKDONJSA-N	237.064	-0.757	50	10	BBGE	
CC(C)C[C@@H]1COCCN1C(=O)C#CB(O)O	2247743224	ASOGXWFHYBSRND-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1occc1B(O)O	2247750251	GQTAYAVVDJOCDY-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)C1(B(O)O)CCC1	2247755778	JWLAXSHEGLFARY-DTORHVGOSA-N	240.112	-0.408	50	10	BBGE	
Cc1cnc(C(=O)NCC2CC2)c(B(O)O)c1	2247791459	NFIQZUBROFTRIC-UHFFFAOYSA-N	234.064	-0.790	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC12CC2	2247798652	WCMHKZQDNXYNKB-IUCAKERBSA-N	238.096	-0.844	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCO1	2247801131	XKAPFOUVYFGTFJ-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCC1CCC(O)CC1)[C@@H]1C[C@H]1B(O)O	2247806494	NNXNIPYFLRLILY-YDYPAMBWSA-N	241.096	-0.483	50	10	BBGE	
CCCN(C)C(=O)c1cccc(B(O)O)c1F	2247870403	JFXHLYBHEXZHBE-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
Cc1ccc(C(=O)NC[C@@H](C)F)cc1B(O)O	2247874374	QLRJMWVAPYBGPU-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCNC1	2247877772	KAGWQEDTDQIFEC-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
CC[C@H](O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247886731	FVDPFVULXZEWOR-GUBZILKMSA-N	241.096	-0.389	50	10	BBGE	
N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895611	UMMRFWYTWDAZOG-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247897382	RNOXSFZAKVCXKF-UTINFBMNSA-N	240.112	-0.694	50	10	BBGE	
CCN(CC)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900432	WRXRKJLREHKBSR-MGCOHNPYSA-N	242.128	-0.303	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2248480006	WVOWUJSYQDMVAH-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1cocc1B(O)O	2249415961	LBOFAJOZWVZUME-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
COc1ccc(B(O)O)c(-n2nc(C)cc2C)n1	2254599723	TZWGWQGHRWRJBC-UHFFFAOYSA-N	247.063	-0.427	50	10	BBGE	
Cc1cc(C#N)c[nH]c1=NC(=O)C1(B(O)O)CC1	2255492781	PVVWLVWMLDHDRI-UHFFFAOYSA-N	245.047	-0.371	50	10	BBGE	
Cc1cc(B(O)O)c(F)c(C(=O)N2CC=CC2)c1	2255592065	DKKGGKLOVPOTEZ-UHFFFAOYSA-N	249.050	-0.174	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2nccnc2B(O)O)C1	2256068294	ZPHOUHMMCFCJBE-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	2260824877	IGKMOKPYXOLOSU-IUCAKERBSA-N	249.031	-0.974	50	10	BBGE	
CC(C)[C@H]1[C@@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298370392	YAPLUJFLOOMCFC-KATARQTJSA-N	241.096	-0.533	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H]1O	2298370943	SMJKCHCUORXHLD-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1B(O)O	2298370969	UCSIDXZIWGDQAH-OPRDCNLKSA-N	242.128	-0.448	50	10	BBGE	
CCOC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376958	ZELGYINIYPXQIV-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H](O)CCCN(C)c1cc(B(O)O)ccn1	2299584434	QJWRPRYRORTURX-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
Cc1cnccc1COCCOCC(=O)NN	2301850529	LDGOYCNUIIFWOM-UHFFFAOYSA-N	239.275	-0.087	50	10	BBGE	
CC(C)=C(CN(C)Cc1cn(C)nn1)B(O)O	2301954044	WBJKQCDLYXJPEP-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2302024128	TXQYRZWJMKFJDO-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCCCCC(N)=O)C1	2303156173	ULEQDRTYTWBEGU-NSHDSACASA-N	242.128	-0.029	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CNC[C@H]1F	2303697251	CMMSZQUTELFMIP-BZNPZCIMSA-N	244.075	-0.992	50	10	BBGE	
C[C@](CCN)(C(=O)O)N1CCC(O)(C#N)CC1	2305448959	RYCWFJTZOLQTST-JTQLQIEISA-N	241.291	-0.471	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1ncccc1B(O)O	2307288122	MGFOZNGSXPKVIJ-KYZUINATSA-N	238.071	-0.054	50	10	BBGE	
O=C(CCl)OCCN1CCOCC1=O	34516864	JUCSLIUOZRQRPG-UHFFFAOYSA-N	221.640	-0.373	50	10	BBGE	
NNC(=O)c1nc2ccc(C(N)=O)cc2s1	75848552	JDCFSBCGOAHLFX-UHFFFAOYSA-N	236.256	-0.001	50	10	BBGE	
CCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	82466841	VXKREPXTCDZOER-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC(C)CN1CCN(CC(=O)NN)CC1	82468616	BGWJKKXCARPUCD-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
CCN(CCOC)[C@H](C)[C@@H](C)C(=O)NN	86313591	ISPDGYKQVSFNQM-RKDXNWHRSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(C(N)=O)CC1	93071674	JOSQZXZMLHWMSY-SFYZADRCSA-N	242.323	-0.802	50	10	BBGE	
OCCn1cc([C@@H]2OC[C@H](CCl)O2)nn1	134974455	WMKMSZONMGYQKH-POYBYMJQSA-N	233.655	-0.077	50	10	BBGE	
O=C1CCC(=O)N1Cc1cccc(B(O)O)c1	201359689	HTPQYWRXPBDCTI-UHFFFAOYSA-N	233.032	-0.985	50	10	BBGE	
CC[C@@H](C)NCC(=O)N1CCC[C@H]1B(O)O	201810229	NNZMNKCKCVRJKE-BDAKNGLRSA-N	228.101	-0.623	50	10	BBGE	
NC(=O)NC(=O)NCCBr	220502102	JTWZWPLDJRYDGD-UHFFFAOYSA-N	210.031	-0.241	50	10	BBGE	
CN1C(=O)NC(=O)[C@@](C)(CCl)C1=O	238320385	LPJUZZJOJLJOFU-SSDOTTSWSA-N	204.613	-0.060	50	10	BBGE	
COc1ccc2ncccc2c1B(O)O	238383879	YZHYHYYBTJRKPZ-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
NNC(=O)CN1CC(F)(F)C(F)(F)C1	306296224	BIAXWEWVJLXIQX-UHFFFAOYSA-N	215.150	-0.438	50	10	BBGE	
CN1C(N)=C(C(N)=O)SC1=C(C#N)C#N	309002202	SFKKBNYTANFVPM-UHFFFAOYSA-N	221.245	-0.463	50	10	BBGE	
OB(O)/C=C\c1ccc(/C=C/B(O)O)cc1	309568921	VFEOKQJXYYUODR-CGXWXWIYSA-N	217.826	-0.263	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(N(C)C)C1	382348999	OQZVRDJXQBMVSW-SFYZADRCSA-N	214.313	-0.753	50	10	BBGE	
CCOCCCN(C)C[C@@H](C)C(=O)NN	382848970	IQJXLUOSHMXVBU-SECBINFHSA-N	217.313	-0.029	50	10	BBGE	
C[C@]1(O)C(=NNC(N)=O)CC[C@H]1C(=O)O	384185673	JRIYTNCQDUWDTE-RNHFCUEFSA-N	215.209	-0.744	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1C=O	396049300	BHEHGSAYQVJVPP-UHFFFAOYSA-N	203.006	-0.365	50	10	BBGE	
CC(=O)[C@H](Cl)c1cccc(CO)c1B(O)O	396054594	JIDRCTZNOKKSJJ-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H](C)C1	399584158	CYPYKGIQMFQIGW-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CN(CC(=O)NN)C[C@]12CCC[C@H]1OCC2	687519636	DILYYDALQLPAQE-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)C1=NO[C@]2(CCNC2)C1	687607335	FNSXFAACUFWNJD-SECBINFHSA-N	212.253	-0.912	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C)[C@@H](O)[C@H](C)C1	688122541	RNRWSHPDDSSHHG-QCLAVDOMSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1[C@H](C)C(=O)NN	688638295	HPUBVTYLFXTMAC-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CCn1ccnc1SCC(=O)NN	689731342	AEAIOFAGSJFWHF-UHFFFAOYSA-N	200.267	-0.015	50	10	BBGE	
CS(=O)(=O)CCCCN1CC(=O)OC(=O)C1	692786461	ORZTZFNEUSIVSS-UHFFFAOYSA-N	249.288	-0.803	50	10	BBGE	
C[C@@H]1CN(C)C[C@H](CN2CC(=O)OC(=O)C2)O1	697272045	GMERTMFUGWYEJZ-RKDXNWHRSA-N	242.275	-0.909	50	10	BBGE	
NC(=S)NNC(=O)Cc1ccncc1	700853477	YLICYAJTTOYRIC-UHFFFAOYSA-N	210.262	-0.512	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(COC)CC1	706942783	FAEPVMMJSYZMHZ-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](O)(CC)C1	710210203	PAANXLGXYYAOFL-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1c1nccs1	710596055	QDUNIUXUSRESGF-LURJTMIESA-N	240.288	-0.204	50	10	BBGE	
CO[C@@H](C)C(=O)N1CCc2cccc(B(O)O)c21	712195218	JFPLLKVZYOPCDY-QMMMGPOBSA-N	249.075	-0.710	50	10	BBGE	
CCc1nc(C)cn1[C@@H](COC)C(=O)NN	715062182	VIQBECFJTAWLHA-QMMMGPOBSA-N	226.280	-0.069	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1cn(C2CNC2)nn1	722409673	HHGCVIYHQXKFPC-ZCFIWIBFSA-N	243.698	-0.334	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)c1ccccn1)C1CC1	791294152	HEAMKHVWRWPKFY-VIFPVBQESA-N	235.243	-0.328	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)c2ccoc2)n1	815149996	IUQDGSNJGSBFIG-UHFFFAOYSA-N	249.230	-0.034	50	10	BBGE	
CN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1	817214618	ARDHEDUKLIAFBT-RKDXNWHRSA-N	241.291	-0.593	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)[C@H]1CCCO1	817215478	BBFWGZYJYMAVNC-SSDOTTSWSA-N	228.248	-0.772	50	10	BBGE	
CCC/C=C/[C@H](O)C(=O)NNC(C)=O	899927874	VAAYASYKIASYSM-GJIOHYHPSA-N	200.238	-0.129	50	10	BBGE	
CN(C)C(=O)NNC(=O)Cc1ccc(C#N)nc1	1118811606	DJTSUBVGEQECLX-UHFFFAOYSA-N	247.258	-0.202	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1cc[nH]n1	1166395421	DGPYDYIEQUIAAT-ZETCQYMHSA-N	226.236	-0.668	50	10	BBGE	
O=C(CCO)NN=Cc1nc(CO)cs1	1332034929	PKSQGAMXQGICMZ-UHFFFAOYSA-N	229.261	-0.532	50	10	BBGE	
O=C(NNC(=O)[C@@]1(O)CCOC1)C1CCCC1	1440746324	IYMYTCAUHKVXFQ-LLVKDONJSA-N	242.275	-0.525	50	10	BBGE	
CC(C)(C)C(=O)C(=O)NNC(=O)c1cnn[nH]1	1443541249	MEYMXGPLJCTWLS-UHFFFAOYSA-N	239.235	-0.819	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1ncon1	1536937041	AITCJGFWQIMWCB-RXMQYKEDSA-N	223.192	-0.620	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NNC(=O)C1CC1	1538513711	CIJBMKVIKZJXNE-SOFGYWHQSA-N	223.232	-0.012	50	10	BBGE	
Cn1ccc(NNC(=O)CO[C@@H]2CCOC2)n1	1558977452	IONJEWPLDZQPQT-MRVPVSSYSA-N	240.263	-0.331	50	10	BBGE	
CC[C@@H](C(=O)NNc1nc[nH]n1)N(C)C	1611410441	DNZCNMBCIHNJEL-LURJTMIESA-N	212.257	-0.412	50	10	BBGE	
CCn1cc(C(=O)C(=O)NNC(=O)NC)cn1	1625506258	ABHYJLZUXMIZSQ-UHFFFAOYSA-N	239.235	-0.954	50	10	BBGE	
Cc1noc(CCC(=O)NNC(=O)N(C)C)n1	1627016490	ILAYWAXWOUJMLX-UHFFFAOYSA-N	241.251	-0.387	50	10	BBGE	
C[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1	1629656210	KAYYYCNFKGXYGA-PFSJDWCMSA-N	234.259	-0.176	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(O)cn1	1638574556	VKBOIMJMHHCJMU-ZETCQYMHSA-N	225.248	-0.255	50	10	BBGE	
CSCC(=O)NN(C)S(C)(=O)=O	1888561433	CVSXYBPJPZBBGL-UHFFFAOYSA-N	212.296	-0.728	50	10	BBGE	
C[C@H](CN(CCF)CCF)C(=O)NN	1888846272	VCWQQDYPQYFNEC-SSDOTTSWSA-N	209.240	-0.147	50	10	BBGE	
O=C(NNCCO)C12CCC(CC1)O2	1889083023	XDIOIFZXYMZKBG-UHFFFAOYSA-N	200.238	-0.689	50	10	BBGE	
C[C@H](NC[C@H]1C[C@H]1Cl)C(=O)NC(N)=O	1893109012	WGRLZISZOUNQFM-KVQBGUIXSA-N	219.672	-0.213	50	10	BBGE	
Cc1ncn([C@H](C)CC(=O)NN)c(=O)c1C	1894131065	GXGFGUIKMKZILO-ZCFIWIBFSA-N	224.264	-0.199	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCC#CB(O)O	1897284789	ZGCLAKDXKSICQD-RNFRBKRXSA-N	231.007	-0.591	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1CC1CC(Cl)C1	1897669026	POAXODSGIBFUCZ-LLGBLBKNSA-N	249.694	-0.506	50	10	BBGE	
CN(NC(=O)CC[C@@H]1CCNC1)S(C)(=O)=O	1901339737	SIUOAOCJUHQNHF-MRVPVSSYSA-N	249.336	-0.701	50	10	BBGE	
COC1(C(F)F)CC(C(=O)NNC(N)=O)C1	1902689592	TXLRXQODYIZXFX-UHFFFAOYSA-N	237.206	-0.254	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1ncc(F)cc1B(O)O	1909027315	PGEPPBHYKUTWMX-RCOVLWMOSA-N	242.034	-0.305	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@]1(CO)CCCN1	1909249680	DBDNVVLFTSYHBR-SFVIPPHHSA-N	232.711	-0.013	50	10	BBGE	
NC(=S)NNC(=O)C1CC2(CCCO2)C1	1912635567	TZOAGXGGVHLZJX-UHFFFAOYSA-N	229.305	-0.190	50	10	BBGE	
CON1CCN(C(=O)NC(=O)CCl)CC1	1915572804	LDHHCYOCWKUNHQ-UHFFFAOYSA-N	235.671	-0.360	50	10	BBGE	
CN(C1COC1)S(=O)(=O)CBr	1915722415	WGEQSAGHTLOQLL-UHFFFAOYSA-N	244.110	-0.001	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2[C@@H]3NCCO[C@H]32)CC1	1917111912	HSGKGNWCBYWWHV-VWYCJHECSA-N	233.271	-0.345	50	10	BBGE	
OB(O)c1ccccc1CN1CC(F)C1	1917260725	BQNFXWHFNNINKF-UHFFFAOYSA-N	209.029	-0.480	50	10	BBGE	
C[C@H]1COC[C@H]1OCC(F)(F)C(=O)NN	1927816892	UBFANKMRJSXJBT-NTSWFWBYSA-N	224.207	-0.337	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1930373831	OKQOKKLNZPUYKG-WCBMZHEXSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1936239682	VLURAXAXEQVOKC-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(O)CCNC2)CC1	1937399870	SJKVDGGDUTWTPI-LLVKDONJSA-N	225.292	-0.939	50	10	BBGE	
CO[C@H](C(=O)NNCCO)[C@@H]1CCCOC1	1937613559	CTFUZWPGBKOQLS-BDAKNGLRSA-N	232.280	-0.959	50	10	BBGE	
CCn1nccc1CN(C)[C@@H](C)C(=O)NN	1937931017	YORVERFHMSOPMT-QMMMGPOBSA-N	225.296	-0.287	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CC1(C(=O)NN)CC1	1938247037	ONUVKXYFCZTDKZ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@@H]2COC[C@@H]21	1941087805	NTISREZUAVWGJQ-ZNSHCXBVSA-N	239.319	-0.277	50	10	BBGE	
C[C@@]12CCC[C@@H]1C(=O)N2CCOCC(=O)NN	1942996814	HFCVDHGNBITBHE-LDYMZIIASA-N	241.291	-0.606	50	10	BBGE	
Cn1cnc(COc2cncc(B(O)O)c2)c1	1946177077	WOKUYOBNMYCGAE-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](C1)C2O	1954104273	DASSBRCTCWVXFN-MEKDEQNOSA-N	225.697	-0.175	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CONC1=O	1954239600	OHQZUFFRMSBIRK-RFZPGFLSSA-N	206.629	-0.450	50	10	BBGE	
CN(C)NC(=O)N1CC(C(N)=S)C1	1954818978	IUSBLRVWSXVEEO-UHFFFAOYSA-N	202.283	-0.610	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(NC(N)=O)C1	1957316440	CMPPREPFFBLGTJ-YFKPBYRVSA-N	219.672	-0.117	50	10	BBGE	
OC1[C@@H]2COC[C@H]1CN(C[C@@H](O)CCl)C2	1960700843	GPHFHSAPIFYGES-GFMAATOTSA-N	235.711	-0.475	50	10	BBGE	
CC(C)CCOc1ncncc1B(O)O	1961686092	ANTKWTLWWMEGKH-UHFFFAOYSA-N	210.042	-0.419	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccc(B(O)O)cc1	1969322836	KEVRUOQBMGDSHA-QMMMGPOBSA-N	241.002	-0.496	50	10	BBGE	
O=C1NC[C@]2(CCN(C[C@@H](O)CCl)C2)N1	1974909676	UUTOSVYJLYEMOC-CBAPKCEASA-N	233.699	-0.657	50	10	BBGE	
CN(CCC(=O)NN)[C@@H](CCO)C(F)F	1975122902	RQKYZGGHCXLQAE-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)CC12CCC2	1975982353	LWEOFQJNUMNOJY-SFYZADRCSA-N	223.276	-0.233	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C2CC2)nc1	1981409623	PJLSQUKXJYLYPA-VIFPVBQESA-N	219.053	-0.855	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](COC)[C@@H](C)C1	1982500660	SODRELFMZWBZKJ-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@H]1CC[C@H](C(=O)NN)C1	1985745207	VFLDXNQUSPBSGO-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NCC1(F)CC2(CCC2)C1	1986435925	XSNOJHVUPVHWSW-UHFFFAOYSA-N	229.255	-0.235	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1C[C@H]1COC	1988556419	GAJRXNPHSHVYNJ-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
C[C@]12CO[C@](Cn3cc(B(O)O)cn3)(C1)C2	1990304757	MNMHJVSAAHGZKP-AOOOYVTPSA-N	222.053	-0.868	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCOC1	1990774954	POLRGVMCLFWZMU-SECBINFHSA-N	229.280	-0.736	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCCOC1	1990774955	POLRGVMCLFWZMU-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1991711891	AGRUDHLXJXWBSI-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
C=C(CN1CCOc2ncccc21)B(O)O	1992152580	GTLSCOKANFYQTH-UHFFFAOYSA-N	220.037	-0.151	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1[C@H]2COC[C@H]1C2	1992317541	ZSXDFHIKDFZXAE-HLTSFMKQSA-N	227.308	-0.136	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@]1(C)CCO	1994706012	AHIDOFFTCAAZTL-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1COC(C)(C)CO1	2007706315	CHCGLJJTNGNSDY-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
O=c1c(B(O)O)cccn1CCOC1CCC1	2008844499	OJPMJRCDRNWDOB-UHFFFAOYSA-N	237.064	-0.903	50	10	BBGE	
OB(O)c1cccc(OC[C@@H]2OCC[C@@H]2F)c1	2009181660	KXPGHMINVFIQLQ-QWRGUYRKSA-N	240.039	-0.128	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1nc(C(=O)NN)co1	2011155455	NGFCHEJEWDTKKS-HTRCEHHLSA-N	240.263	-0.767	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC(O)C[C@@H]2C1	2012903319	RFPWAEJCXLDLSX-RNFRBKRXSA-N	249.261	-0.686	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@H]2CC[C@@H]21)C(=O)NN	2015990210	LVHRLSJMQNREQZ-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CCO[C@@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	2020062689	UJPDNBOURHTXJX-VHSXEESVSA-N	241.096	-0.124	50	10	BBGE	
CN(CCCF)C(=O)c1ccccc1B(O)O	2022201130	YTIRXRVQPYFCRQ-UHFFFAOYSA-N	239.055	-0.202	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2COCC[C@H]21	2052498615	GWBZVNGCLIWFNT-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CC(C2CC2)C1	2058157023	VPSSSAJUWJXHHQ-UHFFFAOYSA-N	247.103	-0.036	50	10	BBGE	
O=C(NC[C@@H]1CCCO1)c1ccccc1B(O)O	2079010814	UMOVOCCFKBESPR-VIFPVBQESA-N	249.075	-0.725	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2086996400	YEEOSEFJKPZZDP-LHWRMGGRSA-N	243.071	-0.350	50	10	BBGE	
CC[C@@H](Nc1ncccc1B(O)O)[C@H](C)O	2212603421	FXUMMWRPOBKMFT-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
C[C@H](CN)CCOc1cc(B(O)O)ccn1	2212607589	LMQBKFZWEYERHS-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]2C2CC2)nc1	2212610932	RLHRBHXOEZYELY-IUCAKERBSA-N	219.053	-0.633	50	10	BBGE	
C[C@@H]1CCN(c2cc(B(O)O)ccn2)[C@@H]1C	2212614299	CDDQBVVDNARRRH-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@@H](O)C[C@@H]2C1	2213026153	CXVKTKQPZJYNMD-CSMHCCOUSA-N	249.261	-0.686	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1Cc1cccc(B(O)O)c1	2214601220	KZDRFVNQYGQZBF-BXKDBHETSA-N	234.108	-0.712	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215774785	FFQQMFVPOBRDFR-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1COCC(=O)N1C[C@@H]1CC[C@H]1C(=O)NN	2215777373	SHRATZAJGFXNOV-HRDYMLBCSA-N	241.291	-0.750	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H](CCO)C1	2215778273	YHOOEJJLTNYIAG-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2216254257	YMBJCVMYKNZPCY-FBDQPXRJSA-N	241.335	-0.011	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)nc1	2216612687	MRUZJMKUOMBFKP-LDYMZIIASA-N	236.055	-0.300	50	10	BBGE	
C=CC[C@@H](N)COc1cc(B(O)O)c(C)cn1	2217173382	OXKMPFDTWPBWFL-SECBINFHSA-N	236.080	-0.648	50	10	BBGE	
OCC1(Nc2cc(B(O)O)ccn2)CCCC1	2217178779	ZNFKKXXMRSGKGU-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
N[C@H]1C[C@@H](CCNc2ncccc2B(O)O)C1	2217179322	JJTVCYBEDVFBSO-DTORHVGOSA-N	235.096	-0.699	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1cc(B(O)O)c(C)cn1	2217181435	PWNQSMDIMKJRPW-WPRPVWTQSA-N	238.096	-0.426	50	10	BBGE	
C[C@]1(N)CCC[C@H]1Oc1cc(B(O)O)ccn1	2217186335	IXFGEMPVNSHJDM-KOLCDFICSA-N	236.080	-0.590	50	10	BBGE	
CC[C@@H]1CNC[C@H]1Oc1ccc(B(O)O)cn1	2217193776	XJYNOWQOFZLXPK-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1c1ccc(B(O)O)cn1	2217202496	KEXYHOXGUCTEAE-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1[C@@H]2CNC[C@@H]12	2220064322	CEZJJWDUXAYAST-VXGBXAGGSA-N	246.119	-0.984	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H](C)N1	2220067293	UZXWLEMOHJDOKU-PHIMTYICSA-N	248.135	-0.451	50	10	BBGE	
CC[C@H]1CNCCN1Cc1cccc(B(O)O)c1	2220074706	WTRPZSBTZSWDOT-ZDUSSCGKSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3COC[C@@H]3C2)c1	2223627707	NFQRDGXJWXTNOJ-JZYVYDRUSA-N	248.091	-0.402	50	10	BBGE	
OC[C@H]1[C@H]2CC[C@@H](C2)N1c1ccc(B(O)O)cn1	2223647284	VRDMAFAWFPGKRK-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2CCNC2)cc1B(O)O	2223652337	IKEIHAZHLUROCK-SNVBAGLBSA-N	249.123	-0.884	50	10	BBGE	
NNC(=O)CCSC[C@H]1CCCN1	2241289748	CEBLMDMZUNMNPB-SSDOTTSWSA-N	203.311	-0.148	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NC(=O)CBr	2241860220	VHBKEHJUANVMQR-XAHCXIQSSA-N	238.081	-0.354	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@@H](C)CCl	2242272125	AMVIQGPKCYMOOU-ZETCQYMHSA-N	219.668	-0.666	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1nncs1	2243285392	QTAYAUUZAPCOOE-RQJHMYQMSA-N	243.336	-0.016	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1occc1B(O)O	2243358427	GZFBJZCZYPSRFT-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2243361677	FLQUJPSHWNZCSY-BQBZGAKWSA-N	223.037	-0.512	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1sc(C)cc1B(O)O	2243381644	HQBZGSUEJUFVLY-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
Cn1cnc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)c1	2243382563	QCLFMTJKTIRARJ-KNVOCYPGSA-N	223.041	-0.388	50	10	BBGE	
O=C(NCC1=CCOCC1)[C@H]1C[C@@H]1B(O)O	2243391082	GDDSZAYDOKMBEM-IUCAKERBSA-N	225.053	-0.688	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243397358	ZPPLTZOCKHSXOU-XAVMHZPKSA-N	227.069	-0.610	50	10	BBGE	
CC(C)(C)OCCNC(=O)C1(B(O)O)CC1	2243398382	QAKZISTWEDRNLN-UHFFFAOYSA-N	229.085	-0.075	50	10	BBGE	
CCONC(=O)c1nc(CC)sc1B(O)O	2243404152	KGZKSUCCJFDOGT-UHFFFAOYSA-N	244.081	-0.933	50	10	BBGE	
Cc1csc(C(=O)N(C)CCF)c1B(O)O	2243404165	KJVYRAHLMLIHQD-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1[C@H]1C[C@H]21)C1(B(O)O)CC1	2243408859	WRAJQZKSGZDRGQ-HXFLIBJXSA-N	221.065	-0.140	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cc(B(O)O)co1	2244210178	FEUAZNULNDZMBW-ZETCQYMHSA-N	221.021	-0.735	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]1CF	2244221028	CHZGLILKFZUCAK-ZETCQYMHSA-N	227.000	-0.857	50	10	BBGE	
C[C@H](C(=O)NCCC#CB(O)O)C(C)(F)F	2244548017	JJPFSVPBNHUACD-SSDOTTSWSA-N	233.023	-0.201	50	10	BBGE	
C=CC1CC(NC(=O)c2ccc(B(O)O)o2)C1	2247741825	GKYPIQNPVBLHPL-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
C[C@@H](CF)NC(=O)c1cccc(F)c1B(O)O	2247752078	IDDRWQUUJNAJHL-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@H]1C2)C1(B(O)O)CC1	2247758704	WVQBWDTYKBACHT-SCZZXKLOSA-N	239.080	-0.464	50	10	BBGE	
Cc1ccc(C(=O)NN2CCC2)c(B(O)O)c1	2247760243	FAZWLHXRULYOIQ-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247786400	AALQEZTZEUZREM-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCc1cncnc1)[C@H]1C[C@@H](B(O)O)C1	2247786910	ILUDDVJMWRBBSN-DTORHVGOSA-N	235.052	-0.654	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2[C@H](C1)C2(F)F	2247792994	VZEAKQXKILQCFJ-KVPKETBZSA-N	245.034	-0.037	50	10	BBGE	
NC1(CCNC(=O)C2CC(B(O)O)C2)CCC1	2247808275	KKVZBJLTRPUHBF-UHFFFAOYSA-N	240.112	-0.373	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)CN1	2247809241	YLMDQHFFGNDWHT-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccn2ccnc12	2247850634	QTYCPHNSRUJIQA-UHFFFAOYSA-N	229.004	-0.712	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	2247851881	LOIWNQVQFQERBK-UKKRHICBSA-N	233.076	-0.494	50	10	BBGE	
COC1(OC)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247860017	QSBPVDZUXAYCNT-PRJMDXOYSA-N	243.068	-0.883	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC12CC2	2247867472	GELKWCJCKYEYHO-QMMMGPOBSA-N	235.048	-0.450	50	10	BBGE	
CC1(CN)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247886890	HNRHQTVIZWJHTR-DTWKUNHWSA-N	240.112	-0.563	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893612	VPIIOVLQUVSOQL-UDNWOFFPSA-N	240.112	-0.598	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248081602	SSJFJWHLHRNMIF-OOJXKGFFSA-N	237.259	-0.993	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnc(F)c(F)c1	2248432999	DJDZCNKYDFSPKH-UHFFFAOYSA-N	241.990	-0.342	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)co1)C1CCC1	2249416051	MHRSHQCEBQMGQY-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
C=C[C@H](NC(=O)c1cocc1B(O)O)C1CC1	2249432064	YLEJOBQKBIAWTO-JTQLQIEISA-N	235.048	-0.346	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2249621927	QNVQMRZVBFTNHW-CDDJKKQXSA-N	239.080	-0.467	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2CC[C@@H]21	2255454691	XVUQZHRAAGIJMT-WPRPVWTQSA-N	249.075	-0.108	50	10	BBGE	
Cc1ccc(CNC(=O)c2coc(B(O)O)c2)o1	2255456295	MAIGXPBZSQXEAA-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC2(CC=CC2)C1	2255463589	KYZPLUXDPVEXAV-UHFFFAOYSA-N	247.059	-0.248	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255467546	OSXZTKKQRYCKLN-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ncco1	2255468844	HOJPPPQXSOSIHF-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1ccc(B(O)O)o1	2255468910	IMDKDKPRYTYTAM-YUMQZZPRSA-N	249.075	-0.313	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1ncncc1B(O)O	2255493609	ATTNFGYICFMKGS-QMMMGPOBSA-N	249.079	-0.759	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1n[nH]cc1B(O)O	2255546266	CCEQLBISZZFXPH-VXNVDRBHSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@H]1C1CC1	2255551168	UDGZCBQNZQNHLQ-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
Cn1cnc2c1CN(C(=O)[C@@H]1C[C@H]1B(O)O)CC2	2255584149	UNEZAYZXCCVFDR-HTQZYQBOSA-N	249.079	-0.832	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(B(O)O)cc1C	2255677637	JYMINGPFURMASH-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCC1COC1	2255685022	UKNPFPWKZPOALQ-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2255690895	IZSLLXXCQVACSI-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
CC(C)=CCC(=O)Nc1ncc(B(O)O)c(C)n1	2256720909	IHXOVJJIEXKSIJ-UHFFFAOYSA-N	249.079	-0.240	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1ccoc1B(O)O	2257068661	YTWMFTYGNATBDL-APPZFPTMSA-N	249.075	-0.170	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1cc(B(O)O)co1	2258144528	XNEONERJFDJVAZ-MRVPVSSYSA-N	249.075	-0.169	50	10	BBGE	
OB(O)c1ccc(OC2(C3CCC3)COC2)nc1	2260055952	LRWDOAIBJPRNBQ-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	2298357592	XZMGIIPMVQVMKR-SOYHJAILSA-N	237.303	-0.083	50	10	BBGE	
C[C@H]1CCO[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368646	QAWOELDDXJPFSG-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(N)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298374818	OOOJUBOCFFDMNO-YIZRAAEISA-N	240.112	-0.565	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1[C@H](CO)C2)C1(B(O)O)CC1	2298375803	ZVCCBGFUJJULNW-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@]2(CO)CC[C@H]1C2	2299759178	ZZEPRSXECPSDST-QFOLPQNPSA-N	239.319	-0.541	50	10	BBGE	
CN(C)CCN(C)CCC[C@H]1C[C@H]1C(=O)NN	2300397521	SKIRDLHFOSPKFC-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1coc(B(O)O)c1	2307171829	CUAURVVGZMEOMP-WRXNHJIOSA-N	241.027	-0.563	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1ccccc1B(O)O	2307367104	FMABPBMUOLPZMR-OCAPTIKFSA-N	237.039	-0.403	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(F)c1	2309543719	BURFMDZGGBPGFJ-FGGBMERFSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3CC[C@H]2N3)c1	2312613962	UBLFKGWKBGNNKN-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(B(O)O)n[nH]1	2313180847	ISAPOMSBJKFIPI-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
CN[C@@H]1CN(c2ccc(B(O)O)cn2)CC1(C)C	2314821930	NVXHAQGTOUUWMY-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
Cc1cc(N(C)C)nc(SCC(=O)NN)n1	2033302	PTHGEWDXMWULBL-UHFFFAOYSA-N	241.320	-0.067	50	10	BBGE	
Nc1nc(N)c(NC(=O)CCl)c(N)n1	32252484	LDYZUOAUCNIOHC-UHFFFAOYSA-N	216.632	-0.600	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](COC)C1	81120964	DUNQJKHREYXHCL-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CCCCn1cnc([N+](=O)[O-])c1	82471298	MZOWNWZXYOPVLE-UHFFFAOYSA-N	227.224	-0.049	50	10	BBGE	
CCC(CC)[C@H](C)NC(=O)C(=O)NN	82634093	KDOWHKYRLHIEIK-LURJTMIESA-N	201.270	-0.083	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C(=O)NN)CC[C@H]1C	82847384	JXLMRJYIEUESHJ-GJMOJQLCSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1ccc([N+](=O)[O-])n1	86313826	UFTMRQVRLUEXDY-NTSWFWBYSA-N	227.224	-0.022	50	10	BBGE	
CNCCCN(C)[C@H](C)CC(=O)NN	87472897	SMKIERRSCRDJAQ-MRVPVSSYSA-N	202.302	-0.704	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214673	PHHATSFRLVCSQH-XLPZGREQSA-N	213.281	-0.648	50	10	BBGE	
CSCCCC(=O)NNC(=O)CN(C)C	126605937	OOIVRUZQBRBODE-UHFFFAOYSA-N	233.337	-0.161	50	10	BBGE	
CCc1nn(C)c(C(=O)NN(C)C)c1N	133887760	IEZUIHFTZXQMMR-UHFFFAOYSA-N	211.269	-0.229	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCOC1	134791148	VFONDSSDXVKAOR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CCCCC(=O)NN)C1	166157787	BOCKQULLWFZRKW-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CNC(=O)N(NC=O)c1ncc([N+](=O)[O-])s1	196383398	BHLVWXHVFYPIKV-UHFFFAOYSA-N	245.220	-0.142	50	10	BBGE	
C[C@@H]1CCSCCN1C(=O)C(=O)NN	306779962	BDPNTXPLJVJPGA-ZCFIWIBFSA-N	217.294	-0.670	50	10	BBGE	
Cc1nccc(C(=O)NNC(N)=S)n1	307330056	MXKRCFQAIWVYJI-UHFFFAOYSA-N	211.250	-0.737	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@@H]2O[S@@](=O)O[C@@H]21	307387277	CFTBGBQASQGCLQ-WWGBPYKYSA-N	228.653	-0.041	50	10	BBGE	
CCN1CCCN([C@@H](C)CC(=O)NN)CC1	307856691	FHBOSSCDMKFNED-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H](N=c1[nH]nc(CCCl)o1)C(N)=O	379213527	GGEZISWUEOXKJB-RXMQYKEDSA-N	232.671	-0.051	50	10	BBGE	
C[Si](C)(C)OCN=c1[nH]c(=N)[nH]c(=N)[nH]1	380130570	SSGSGLTZJGREET-UHFFFAOYSA-N	228.332	-0.660	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(O)(C2CC2)C1	384106219	GJICFLRSTHAYBG-SECBINFHSA-N	227.308	-0.542	50	10	BBGE	
Cc1ccc(OCCn2ccnc2)c(B(O)O)c1	386264266	WRNKBPOXNZCUSI-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
COc1cc(B(O)O)ccc1CC(=O)CCl	396026697	WEEYTIFVYMKVNF-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
N#CCc1cccc2oc(B(O)O)nc12	396116805	VJQULPWFWIQGQH-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
COC(=O)CCc1cccc(CC#N)c1B(O)O	396140977	XXQKKLCFQUROIR-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@H](C(=O)NN)C(C)C)C1	398472478	GWMNSBIMYWGNAJ-BDAKNGLRSA-N	242.323	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(C)(CO)CC1	402739767	HSOAKUMZVJIUAC-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(B(O)O)c(F)c1	404951406	VVAAYNAAAMXSER-INIZCTEOSA-N	245.084	-0.011	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1[C@H]2CCC[C@H]12	405002723	MYQXWJWHPBFQLH-IUCAKERBSA-N	246.075	-0.254	50	10	BBGE	
CN(C)C(=O)Nc1ccc(F)c(B(O)O)c1	405144096	KLBJQYJAEUOBJY-UHFFFAOYSA-N	226.016	-0.401	50	10	BBGE	
CNC(=O)N[C@@H](C)c1cccc(B(O)O)c1	405145313	MFLFEWBHEKBJJE-ZETCQYMHSA-N	222.053	-0.644	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC=CCC2)c1	694510738	ZBLFATFTDHKMMT-SECBINFHSA-N	206.054	-0.081	50	10	BBGE	
NC(=O)C(C(N)=O)n1cncc1CCl	695344441	TYGDCDPMKCBPSE-UHFFFAOYSA-N	216.628	-0.866	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1nnn(C)n1	697209339	SOZFNPVIZRSNND-YFKPBYRVSA-N	233.659	-0.806	50	10	BBGE	
CS(=O)(=O)NC1CN(C(=O)OCCl)C1	702962372	VSGTTYXRVKKJCO-UHFFFAOYSA-N	242.684	-0.447	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](C(N)=O)C1	703508691	ZXKQEIBZGNRWGA-YIZRAAEISA-N	242.323	-0.803	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@H]2C[C@H]21	706928066	KIEKJSSTZACTDK-JOYOIKCWSA-N	217.077	-0.039	50	10	BBGE	
CC(C)NC(=O)N1CCc2cccc(B(O)O)c21	712147715	XCXZDWRYWJBEON-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
NC(=O)N1CCN(C[C@@H](O)CCl)CC1	721657330	INXCZNQQBFCHEF-ZETCQYMHSA-N	221.688	-0.718	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CC(N)=O)c(C)o1	746093124	KZPZAUSOEGIIEI-UHFFFAOYSA-N	239.231	-0.467	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)c1cn(C)nn1	853386208	YFVWVTKJSQHEOO-ZETCQYMHSA-N	225.252	-0.187	50	10	BBGE	
COCCCNC(=O)NNC(=O)CCF	900385045	QBRBIMNBWHILCO-UHFFFAOYSA-N	221.232	-0.287	50	10	BBGE	
O=S(=O)(NC(CO)CO)C(Cl)Cl	1201828858	SQCSYLAUDVNCGZ-UHFFFAOYSA-N	238.092	-0.980	50	10	BBGE	
CC(=O)NNC(=O)c1nnn(C(C)(C)C)n1	1327719442	UUVFAYYWRKPUOE-UHFFFAOYSA-N	226.240	-0.791	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)N(C)C)n1	1327817372	XOQMBKQOYSMLQA-UHFFFAOYSA-N	226.240	-0.786	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@H]1CCN(C)C1	1332149598	UGKDFVDNTJTTMY-NXEZZACHSA-N	229.324	-0.328	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1ncccn1	1460986393	FOZXPVRUSQXFHY-UHFFFAOYSA-N	233.231	-0.069	50	10	BBGE	
CC(C)(C)OC(=O)NCC#CC(=O)NN	1879944940	HUZDXWMZHNUERR-UHFFFAOYSA-N	213.237	-0.496	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]1Br	1881370524	HWRTZKRENZEQBI-RITPCOANSA-N	236.113	-0.309	50	10	BBGE	
CC[C@H](COC)C(=O)NNC(N)=S	1883254767	BBPRGURLWFBMTH-RXMQYKEDSA-N	205.283	-0.477	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H]1CCS1(=O)=O	1884830145	ZXNOLFWBUMKQDX-NKWVEPMBSA-N	235.692	-0.470	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1C(=O)NNCCO	1884872138	UEKYHVYBXSTSFO-XRGYYRRGSA-N	208.208	-0.109	50	10	BBGE	
C[C@@H]1C[C@@]1(NC(=O)NN(C)C)C(=O)O	1885136042	VZFHKVHPYAIGJQ-XRGYYRRGSA-N	201.226	-0.375	50	10	BBGE	
CS(=O)(=O)C1(C(=O)NOCCCl)CC1	1888315243	GZSJZEGRURSVIW-UHFFFAOYSA-N	241.696	-0.150	50	10	BBGE	
CO[C@H](CN)CNC(=O)[C@H]1C[C@@H]1Cl	1888749062	RQMHEUINJCUHBA-VQVTYTSYSA-N	206.673	-0.296	50	10	BBGE	
CCN(CCF)CC(=O)NNC(C)=O	1892405696	IYEGQYXFCVBCAS-UHFFFAOYSA-N	205.233	-0.555	50	10	BBGE	
N[C@H](CC(=O)O)C(=O)NC[C@H]1C[C@@H]1Cl	1893106702	HLKAHGCMGBRKEK-NGJCXOISSA-N	220.656	-0.468	50	10	BBGE	
C[C@H](O[C@@H]1CCOC[C@H]1F)C(=O)NN	1893527533	HZVWLDBQVVQJOC-RRKCRQDMSA-N	206.217	-0.492	50	10	BBGE	
CC[C@H]1CC[C@@H](C(=O)NNC(N)=O)O1	1900924081	ZSJPXWRAIQQTTA-WDSKDSINSA-N	201.226	-0.357	50	10	BBGE	
C[C@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	1902156186	XCKUVPPVOYDWML-JXUBOQSCSA-N	227.308	-0.685	50	10	BBGE	
CN(C)S(=O)(=O)N1CC[C@H](N=C=O)[C@H]2C[C@@H]21	1902998270	UFPBQSSARYWHMW-VGMNWLOBSA-N	245.304	-0.409	50	10	BBGE	
COC[C@]1(C)CCCN1CC(=O)NN	1904203078	SBZRPDOVSXNQJM-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@@H](C)[C@@H](C)C(=O)NN)C1	1906685970	YVWQBOYOSYHNJO-XFWSIPNHSA-N	245.323	-0.918	50	10	BBGE	
CN(CCCC(=O)NN)C1(C)COC1	1907524920	MTRIJJVJRCUTOX-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C=CC[C@H](C)O[C@H](COC)C(=O)NN	1913340777	ILDDNGBSERQGJH-JGVFFNPUSA-N	202.254	-0.028	50	10	BBGE	
CCCC(=O)Nc1ncccc1B(O)O	1913621048	RAYXZLJNUUJESS-UHFFFAOYSA-N	208.026	-0.500	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC=CCO1	1913624584	DIXIFCTWHSDASJ-VIFPVBQESA-N	248.047	-0.955	50	10	BBGE	
CC[C@H]1CCOCCN1[C@@H](C)C(=O)NN	1913639713	ORMKPPRLGQTYHT-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1CCN(Cc2cccc(B(O)O)c2)[C@@H]1C	1914308923	OATLMRQYXKRRTH-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C1COC1	1915674160	KTQAYCTXRSFDJK-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
COC[C@@H](C)C(=O)Nc1ncc(B(O)O)s1	1924025013	UENWLWDXQGBUHM-RXMQYKEDSA-N	244.081	-0.956	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1928556864	NPNKMJHXQPWAQB-NQMVMOMDSA-N	213.281	-0.931	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COC[C@@H]1CO	1928737611	GSDGKMKDNPMBBB-NKWVEPMBSA-N	243.712	-0.848	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1CC(=O)NN	1929659084	IQONECWIAQASKF-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
COCCNC(=O)CN(N)C(=O)OC(C)(C)C	1930115773	KHHYRVFFUHMFQC-UHFFFAOYSA-N	247.295	-0.140	50	10	BBGE	
C[C@@]1(CCl)CN(CCn2ncnn2)C1=O	1931729711	KPCIBXNXOXGNBX-MRVPVSSYSA-N	229.671	-0.240	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@@]2(C)C1	1932250756	YPDJZDFMTQAVBQ-MRTMQBJTSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)[C@@H](F)C1)C(=O)NN	1932367670	BMMCHTOMJOECQX-CSMHCCOUSA-N	203.261	-0.098	50	10	BBGE	
O=c1[nH]cc[nH]c1=NC[C@H]1COC[C@@H]1Cl	1933392433	OAYLVCKXTCJKJL-BQBZGAKWSA-N	229.667	-0.143	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)CC1CC1	1936082245	DAHYXBYSEGFDIJ-VHSXEESVSA-N	227.308	-0.683	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936093168	BITGWTTWAUZWNF-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
C#C[C@H]1CCCN(CC(=O)NNC(C)=O)C1	1936513809	SLMXKJZAWFSODR-JTQLQIEISA-N	223.276	-0.501	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](CCF)C1	1941083296	PKGUNLRPOXLPOZ-LPEHRKFASA-N	245.298	-0.327	50	10	BBGE	
COC[C@@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)OC	1941094982	QLZKHLWZEUXDHF-IVZWLZJFSA-N	245.323	-0.794	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2OCCO[C@H]2C1	1944743955	JKEJPBCLCSFPIX-XKNYDFJKSA-N	243.307	-0.900	50	10	BBGE	
NNC(=O)C1(COCCO[C@@H]2CCOC2)CC1	1945894145	SVRPDOJFMPKWCW-SECBINFHSA-N	244.291	-0.421	50	10	BBGE	
CC1(C)C[C@H](CO)N(C[C@H]2C[C@H]2C(=O)NN)C1	1945906045	RKYDOZJYHLZIFL-OPRDCNLKSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951019703	VYUCPZLDYJNJBX-GEVSDDDWSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1S(=O)(=O)CCl	1954070486	ZFYLOYCGKQHDDS-PWCHPLFNSA-N	245.753	-0.035	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@@H]2COC[C@@H]21	1955241170	QTHKBSDCBXCOLI-HXFLIBJXSA-N	221.684	-0.722	50	10	BBGE	
CO[C@@H]1CC(F)(F)CC[C@@]1(N)B(O)O	1955786019	SGRGEHQCCAMDMG-VDTYLAMSSA-N	209.001	-0.470	50	10	BBGE	
CCN(C(=O)NN)[C@@H](C)CS(C)(=O)=O	1956773928	JDOHCCPPEUUXMX-LURJTMIESA-N	223.298	-0.675	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)ccc2F)C1	1962779611	OMRYHHMLMNZMTR-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
NNC(=O)CN1C[C@H](C(F)(F)F)CCC1=O	1964301893	WAPVYDAJXDQJNC-RXMQYKEDSA-N	239.197	-0.223	50	10	BBGE	
CSC[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976993401	AIJACVHRERACHZ-RITPCOANSA-N	249.097	-0.972	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H](C)C1	1978943458	COJRUHOYBVEBLD-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@H]1CC(C)(C)CO1)C(=O)C(=O)NN	1979310042	MEUDQSMWCUPQRH-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
CN(Cc1cnsn1)C[C@H]1C[C@H]1C(=O)NN	1979643702	PWVFCJNYLVZDDT-HTRCEHHLSA-N	241.320	-0.404	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2ncco2)n1	1981466060	UPNXKSDXAMPGKV-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982260039	GQPKRABFIOINND-AATLWQCWSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)C1(CN2CCC(F)(F)C2=O)CC1	1985701415	DZNLKTBMDJIGPA-UHFFFAOYSA-N	233.218	-0.376	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@@H]1CF	1985769432	KECMGHKPHBCCLP-HRDYMLBCSA-N	231.271	-0.717	50	10	BBGE	
CCOC12CC(C1)N(C[C@@H](C)C(=O)NN)C2	1986826963	MGROHDQPFAHFEG-FKTRJACZSA-N	227.308	-0.134	50	10	BBGE	
O=C(COC1CC1)N[C@H]1CCC=C1B(O)O	1991333225	CADXSGRNZSOGJT-VIFPVBQESA-N	225.053	-0.618	50	10	BBGE	
Cn1cc(N)c(CN2CCC(O)(C#N)CC2)n1	1996953070	HGDJHRNRCUMUED-UHFFFAOYSA-N	235.291	-0.147	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)Cc1ncno1	1997738178	INEHBXDTXBFVIG-UHFFFAOYSA-N	241.295	-0.092	50	10	BBGE	
C[C@H](CN1CCc2nnccc2C1)C(=O)NN	1998249915	MHPAEKSVNHRBNX-MRVPVSSYSA-N	235.291	-0.539	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	1998446474	UMHWPMYIBMTSPX-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
CCO[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)NN	1998884514	NBNDETACDNVOHN-BDAKNGLRSA-N	243.307	-0.218	50	10	BBGE	
CCN(c1ncncc1B(O)O)[C@@H](C)C1CC1	2004916189	IVRILPVOUUTLQN-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CN(Cc1ccns1)c1ccc(B(O)O)cn1	2004916448	LSEDSHVYJQDFFB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]2CF)c1B(O)O	2004974840	PXOFJYILPMMFTC-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
C[C@H](O)[C@@H]1CN(CCCCC(=O)NN)CCO1	2005913931	VGQVYLJFTFZASN-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@]12C[C@@H](CO)C2	2011131813	HOBPOCXPSLQQRQ-NHCYSSNCSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCOC[C@H]1C	2019208685	HDNVVLFOQVOUTA-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NCC=CB(O)O	2020057741	CWVBPAMYKZTQIJ-UHFFFAOYSA-N	237.068	-0.169	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](O)C12CCC2	2023235854	FTUFVDCUUGAKSR-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
NNC(=O)C12COC(CN3CCCC3=O)(C1)C2	2023835932	AJHPAZLEBCPENE-UHFFFAOYSA-N	239.275	-0.852	50	10	BBGE	
CCON(CC)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023853324	LEADLKSXPSRIOT-XYPYZODXSA-N	243.307	-0.201	50	10	BBGE	
OB(O)c1cnn(CC23COC(CF)(C2)C3)c1	2023878873	XXNYXOHLYWEWAL-UHFFFAOYSA-N	240.043	-0.918	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@]23CCOC3)n1	2052555613	HDDUVIVBMPGWQN-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
Cc1nc(N2CC[C@H]3CC[C@]32C)ncc1B(O)O	2052556965	PZKYHELDVRORAT-BXKDBHETSA-N	247.107	-0.156	50	10	BBGE	
N#Cc1cc(Cl)cc(C=O)c1B(O)O	2060100608	OGXNVRQZWWDOPY-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1nc(NC(=O)[C@@]23CC[C@@H]2C3)ncc1B(O)O	2069481193	QZEKXMGDRVZDEC-RDDDGLTNSA-N	247.063	-0.797	50	10	BBGE	
Cc1ncnc(OC[C@@H]2CC[C@H]3C[C@H]32)c1B(O)O	2071007686	BTGVVZPNQPSRQO-LPEHRKFASA-N	248.091	-0.110	50	10	BBGE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncc(B(O)O)cn1	2084417725	LYVWBIPMENAGOL-GUDFOSOFSA-N	247.107	-0.076	50	10	BBGE	
Cc1nc(N2C[C@H]3[C@H](C)C[C@H]3C2)ncc1B(O)O	2085518085	BQHMOKHCRQLFBF-JEZHCXPESA-N	247.107	-0.443	50	10	BBGE	
CC(=O)NCc1sc(C)cc1B(O)O	2209921889	YVRLZHQRXSCSQZ-UHFFFAOYSA-N	213.067	-0.628	50	10	BBGE	
CS(=O)(=O)C1(CSCC(=O)NN)CC1	2209926315	BOJRCGXPWLRGHM-UHFFFAOYSA-N	238.334	-0.713	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1COC(F)F	2211684719	GYYQGTSCDHULQR-RXMQYKEDSA-N	237.206	-0.794	50	10	BBGE	
OB(O)c1ccc(Nc2cccnc2)nc1	2212600781	FWWNWLQVJPZYHE-UHFFFAOYSA-N	215.021	-0.100	50	10	BBGE	
C#C[C@@H](Nc1ccc(B(O)O)cn1)C1CC1	2212604714	RQLJPJQFCCZFFK-SNVBAGLBSA-N	216.049	-0.415	50	10	BBGE	
CC[C@@H](N)CNc1cc(B(O)O)c(C)cn1	2212605031	WPTJCGLHLUMYIX-MRVPVSSYSA-N	223.085	-0.781	50	10	BBGE	
C#C[C@H](CCC)Oc1ccc(B(O)O)cn1	2212606034	NGUYYPKQJRDYSM-SNVBAGLBSA-N	219.049	-0.058	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1CC[C@H]1C(=O)NN	2215776396	MNPCVFJGFISZKI-CHWFTXMASA-N	238.335	-0.609	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CC1(C(=O)NN)CCCC1	2216881581	LXVARXSPWNCHLE-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(COc2ncccc2B(O)O)CCNC1	2217167933	QWTAVINELOOIJH-NSHDSACASA-N	236.080	-0.860	50	10	BBGE	
Cc1cnc(N2C[C@@H](O)C[C@@H]2C)cc1B(O)O	2217179651	AODYUDNPBNUREJ-IUCAKERBSA-N	236.080	-0.971	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@@H](F)C2)[nH]c1	2217204066	DVOVEVDGKRSFFS-PSASIEDQSA-N	238.071	-0.267	50	10	BBGE	
C[C@H]1CNCCN(Cc2cccc(B(O)O)c2)C1	2220063158	PYTFDGJGYAVAHT-NSHDSACASA-N	248.135	-0.592	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CN[C@@H](C3)C2)c1	2223631918	CLIAULBNIOAXRF-LSJOCFKGSA-N	247.107	-0.686	50	10	BBGE	
CCN1CCCN(c2cc(B(O)O)ccn2)CC1	2223635019	RFABOKQLPHBKJF-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1CCN	2223635450	XIPIRWLUVKJMTL-ZJUUUORDSA-N	249.123	-0.818	50	10	BBGE	
N[C@@H]1C[C@H](COc2ncccc2B(O)O)[C@@H]2C[C@@H]12	2223650663	PHYVUNBMGSASJA-PKIKSRDPSA-N	248.091	-0.877	50	10	BBGE	
Cc1cnc(NCc2cccnn2)cc1B(O)O	2223653976	WQAPSYIUHRNIBC-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CN1C[C@@H](Nc2ncccc2B(O)O)C(C)(C)C1	2223671146	IERBSNIGWRNALA-SNVBAGLBSA-N	249.123	-0.487	50	10	BBGE	
CO[C@H](CO)CNS(=O)(=O)CCCl	2242438467	IPUGWVQOEDVJDX-LURJTMIESA-N	231.701	-0.848	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cscc1B(O)O	2243347208	JKLOPYPLEMWGQW-KPCSLPGQSA-N	239.105	-0.188	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1nscc1B(O)O	2243347498	MQEYMNCMBYATFM-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]2CCC[C@@H]21	2243361587	DCWNYKPRQNVGDN-LPEHRKFASA-N	221.065	-0.303	50	10	BBGE	
C[C@@H](C[C@@H](C)C(F)F)NC(=O)C#CB(O)O	2243361856	IGRLUEYLSKRFMX-RQJHMYQMSA-N	233.023	-0.202	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1sccc1B(O)O	2243373900	AYMYKLXVZSYGSY-CAHLUQPWSA-N	243.068	-0.484	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243395806	CBBKNFNOVOXEOF-UYXSQOIJSA-N	227.069	-0.515	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2CCC[C@H]21	2243400423	ARIFSIPPCHTCBL-IVZWLZJFSA-N	221.065	-0.351	50	10	BBGE	
CC[C@](C)(O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243419773	GHGJUWZHUKKSAR-NRPADANISA-N	229.085	-0.483	50	10	BBGE	
Cc1csnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2243426366	HLEOCVIUCNCNEN-NKWVEPMBSA-N	240.093	-0.069	50	10	BBGE	
CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1B(O)O	2243426881	NEQHYETZEWIDOV-NKWVEPMBSA-N	240.093	-0.036	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1CC12CCC2	2243600250	VAJKLNWCSVXTSO-DTWKUNHWSA-N	221.065	-0.303	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2244302643	RGDRJFKOHLZOAZ-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244303505	WDDCGECPPDZOTK-SDNRWEOFSA-N	227.308	-0.542	50	10	BBGE	
CO[C@@H](CCl)CNC(=O)CCn1cnnn1	2245981622	PCQUZCRXPIBEDJ-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccoc1B(O)O)C(C)C	2247741929	IACZETLMPQEEAP-SECBINFHSA-N	235.048	-0.653	50	10	BBGE	
O=C(NCCN1CC=CCC1)C1(B(O)O)CC1	2247750258	GTWKUZVDXZZDDZ-UHFFFAOYSA-N	238.096	-0.629	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@@H]1F)C1(B(O)O)CCC1	2247753211	CVMPDFKBYHVJRG-JGVFFNPUSA-N	244.075	-0.800	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1CC(O)C2)C1(B(O)O)CC1	2247757698	RZNVQPHCWRTWFV-YUMQZZPRSA-N	239.080	-0.492	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)cn1C	2247762237	CRCDTTXFONZXEF-CBAPKCEASA-N	236.080	-0.767	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)c1ncc[nH]1	2247800236	NCCHKMGNYQANTB-KKMMWDRVSA-N	237.068	-0.160	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2COCC[C@@H]21	2247800564	QFLMZCDNMHXKAA-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
CCc1nc(CNC(=O)[C@H]2C[C@H]2B(O)O)co1	2247806271	DTZVSCNEHRCBPE-JGVFFNPUSA-N	238.052	-0.284	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247806671	OIYNWZIRGYHUJZ-BDAKNGLRSA-N	235.052	-0.702	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC([C@H](F)CO)C1	2247810550	YHABNFLYZBKECY-KPIFQKDSSA-N	245.059	-0.972	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247810595	YQYUTUHMPWMENL-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@]12CCOC2	2247841809	MOWFNURDMNKROQ-LLVKDONJSA-N	237.064	-0.827	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CNC2	2247848252	JGOZDVVNMVOFOA-UHFFFAOYSA-N	230.032	-0.756	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1ccc(B(O)O)o1	2247851730	JEEWMFYSAYVPBZ-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
CC(C)(CF)CNC(=O)c1coc(B(O)O)c1	2247854978	LMMGSWBOGFIYKN-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)C1(B(O)O)CCC1	2247879146	RFSYJTHAUPZAKX-HRDYMLBCSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1OC2(CNC(=O)[C@H]3C[C@H]3B(O)O)CC1C2	2247887490	OQXDGPSDYCXXAB-UYGVVSCESA-N	239.080	-0.467	50	10	BBGE	
O=C(Nc1ccnnc1)c1cc(B(O)O)cs1	2247888062	VMHQHNGFAFJVJL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)oc1B(O)O	2247890372	LGILFFCAFJUQEL-YUMQZZPRSA-N	237.064	-0.252	50	10	BBGE	
C[C@H](CO)C(=O)Nc1ccc(F)c(B(O)O)c1	2248439637	BHNMZBMPIHKWJP-ZCFIWIBFSA-N	241.027	-0.928	50	10	BBGE	
O=C(O)[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2248586237	XWXCTYYYBVDDFB-NGJRWZKOSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305124	DOEWTOTVWUJUNM-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2249590949	UCZJLPNUDJZHQG-MBTKJCJQSA-N	239.080	-0.777	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1O[C@H]2CC[C@H]1C2	2254468451	YMQJUHUFNWFMFS-IUCAKERBSA-N	247.059	-0.325	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3C[C@]3(C)C2)n1	2254696928	OGPFQCPKJPWCND-QPUJVOFHSA-N	248.091	-0.384	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CC=C[C@H]1C2	2255459919	NOJNFTWGFPKSAE-IUCAKERBSA-N	247.059	-0.250	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1ccc(B(O)O)o1	2255468909	IMDKDKPRYTYTAM-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2[C@H](C)[C@H]2C)n1	2255491368	WDLMGPXTUONBFO-HTQZYQBOSA-N	248.091	-0.546	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1nc[nH]n1	2255509033	GOCJDWYHFLOLNR-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C=CC[C@H]1CCCN1C(=O)c1n[nH]cc1B(O)O	2255546658	IJSSINAHBPBVIO-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
Cc1ncccc1NC(=O)c1n[nH]cc1B(O)O	2255551820	CFWLUWZAMHXRBV-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CC[C@H]1C2	2255681819	XRMILDOBMCURML-SCZZXKLOSA-N	248.091	-0.291	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@H]2C[C@H]2C)c1B(O)O	2255785244	KIBIWJJWQWCBAC-RKDXNWHRSA-N	248.091	-0.544	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC2CC1C2	2255925781	CACAXWHIDAFRTH-UHFFFAOYSA-N	247.059	-0.694	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H](F)[C@H](CO)C1	2298168134	OPWIOOLAFNKSBG-XFWSIPNHSA-N	245.298	-0.735	50	10	BBGE	
C=CCO[C@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2298375693	VZGHQDXGTNVETF-LPEHRKFASA-N	239.080	-0.347	50	10	BBGE	
CC[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376851	SQALQJDTJOOJTN-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2300375745	XFFXDXQALNKUED-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC[C@H](CO)C1	2300394236	SSKGHXROECIDBR-AXFHLTTASA-N	241.335	-0.293	50	10	BBGE	
N#CC1(F)CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2301430036	GCZAKSFFERCSAP-BDAKNGLRSA-N	240.282	-0.060	50	10	BBGE	
O=Cc1ccc(NCC=CCO)cc1B(O)O	2301451465	RXMQPZQFUGRHKA-UHFFFAOYSA-N	235.048	-0.861	50	10	BBGE	
COC[C@H](OC)C(=O)N1CC[C@](C)(B(O)O)C1	2303108829	LDXAYNHHLXADAO-WPRPVWTQSA-N	245.084	-0.887	50	10	BBGE	
CC[C@](C)(Cn1nc(O)ccc1=O)C(=O)NN	2303438314	NXHQQSFDQROCER-SNVBAGLBSA-N	240.263	-0.645	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306256370	KMQATHZVJYXNGS-GENCIFFESA-N	239.080	-0.779	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1B(O)O	2309538920	DNPZGJOILIBNTQ-CKEKPRIKSA-N	245.091	-0.691	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](Nc3ncccc3B(O)O)C[C@H]12	2312612400	VIIVGCVRXGPCOE-KBIXCLLPSA-N	247.107	-0.701	50	10	BBGE	
O=Cc1ccc(N[C@H]2CCC[C@@H]2O)cc1B(O)O	2317313199	SYCPCAOGILNIAC-RYUDHWBXSA-N	249.075	-0.496	50	10	BBGE	
Cc1nc(N)nc(C2CC2)c1C(=O)NN	66134436	LWWJFCQHANTDLX-UHFFFAOYSA-N	207.237	-0.152	50	10	BBGE	
CCN(CCO)CCCCCC(=O)NN	70596868	MFBXKFQFSZFSNI-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC(N)CC1	82470851	QJSSJCIXBQHSTR-MRVPVSSYSA-N	214.313	-0.432	50	10	BBGE	
Cn1cnnc1SCCC(=O)NN	82471940	BCIVZAGCGIKJKM-UHFFFAOYSA-N	201.255	-0.713	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(=O)NC(=O)C1	85085487	YXVPFJKXYQXQSN-YFKPBYRVSA-N	218.640	-0.654	50	10	BBGE	
N[C@@H](CC(=C\C=O)/C=C(/O)C(=O)O)C(=O)O	100623761	FNEGJFDTWWXQES-ZFADLKJTSA-N	229.188	-0.560	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCCOC)CCOC	110590253	OENBMCRSIDWSPS-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
C[C@@H](CO)CNS(=O)(=O)CBr	126721786	FDXJUZDKSVGHBY-RXMQYKEDSA-N	246.126	-0.113	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CCOC2)c1	203524217	DSUYLMOZLDTHNM-MRVPVSSYSA-N	223.037	-0.823	50	10	BBGE	
N[C@]1(C(=O)O)CCS[C@@H]1CCCB(O)O	203787412	HXRXQLHBLUTUOJ-HTRCEHHLSA-N	233.098	-0.473	50	10	BBGE	
COC[C@H](Oc1c(C)nn(C)c1C)C(=O)NN	232418498	GHFVIISVLXBIBZ-QMMMGPOBSA-N	242.279	-0.579	50	10	BBGE	
COC[C@@H](O[C@@H](C)C(F)(F)F)C(=O)NN	232418508	HEJMIVNDOUSSSJ-CRCLSJGQSA-N	230.186	-0.041	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1C2	252431611	MQXXPLNZHTZYSF-RYPBNFRJSA-N	225.292	-0.083	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2oc(=O)[nH]c2c1	258956937	FZVVMLFBQLCJLA-SSDOTTSWSA-N	222.204	-0.889	50	10	BBGE	
Nc1ccc(B(O)O)c2c(N)csc12	306880164	HCRXZECQKAEGIV-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
NNC(=O)C(=O)N1CCSSCC1	307477251	HPKOOERVPMNGRS-UHFFFAOYSA-N	221.307	-0.800	50	10	BBGE	
COc1cc(F)c(F)c(B(O)O)c1F	307645361	YKJNCGVUKKXIDP-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCNC1)C1CC1	380212014	ZMBJMQNBSXXSSC-QMMMGPOBSA-N	211.265	-0.457	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H](C)C(C)(C)O	382927462	FKQBYFVPNZECNG-SFYZADRCSA-N	217.313	-0.154	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C(=O)NN)C(C)(C)C	396044080	URYRZTMJPYWSQY-SECBINFHSA-N	244.339	-0.412	50	10	BBGE	
Nc1csc2cc(C(=O)O)cc(B(O)O)c12	396241998	MIMXNBGGPAHAEV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1csc2cc(B(O)O)c(CO)cc12	396251129	SRBJKYUNJVMDKS-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CNC(=O)NCCNC(=O)[C@@H](C)CCl	397444130	AZGRRDUPHMNJOE-LURJTMIESA-N	221.688	-0.094	50	10	BBGE	
CC[S@](=O)NCc1ccc(B(O)O)cc1	404926450	KMEKMQNSRPAKHV-HNNXBMFYSA-N	227.094	-0.860	50	10	BBGE	
CC(C)NC(=O)NCc1ccc(B(O)O)s1	405069065	ACUDWCQAUFFWOJ-UHFFFAOYSA-N	242.109	-0.365	50	10	BBGE	
Cn1nnc(C2=NO[C@H](CCl)C2)n1	575471221	IELSIBGAFYLEGX-BYPYZUCNSA-N	201.617	-0.058	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1CC12CC2	575596008	FGHZWIDMXLMPMI-RXMQYKEDSA-N	238.077	-0.439	50	10	BBGE	
CN(C(=O)NN)C1CCS(=O)(=O)CC1	606286175	YBAWCPGDVGRUPN-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
OB(O)c1cncc(O[C@@H]2CCCO2)c1	686729263	PHGXBHFELDQBLP-SECBINFHSA-N	209.010	-0.723	50	10	BBGE	
CN(Cc1cn(C)nn1)C[C@@H](O)CCl	689182831	BVRCEUVECVPABC-QMMMGPOBSA-N	218.688	-0.153	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NN)CC1	692063993	NPGQGPUCWNCJOM-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](C(=O)O)C(=O)N1CCC(O)(C#N)CC1	692177175	ISRNEFSILBSUFM-SSDOTTSWSA-N	226.232	-0.416	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@@H]1CCN(C)C1	693440357	XOOAUGNEZGQQCT-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCO[C@H]1CCN([C@H](C)C(=O)NN)C1	701693086	NFTGCQJGVSENKA-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	706170365	AJAZSPSEUWTDCB-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CCC[C@H]1O	708050021	DEJMAEYTELUWHM-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC1(C)CC(=O)NCCN1CCCC(=O)NN	708099649	HWIMFLZGIZAUOH-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]2COC[C@@H]21	711043533	YCMAUSDQKQLAFQ-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@@H]3C2=O)nc1	715551444	UXTRSNVGFTUIIW-SCZZXKLOSA-N	246.270	-0.337	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@H]2C1=O)C(=O)NN	715705858	YEOSLEVHBLSCDQ-BQBZGAKWSA-N	211.265	-0.519	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	721478818	FMJMFXUMOOSYMB-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@]1(C)CO	722999312	GQPFWJJUUJOFNK-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CN(Cc1nc[nH][n+]1C)[S@@+]([O])(=O)CCl	725703000	VRISIGWMOCYCBW-UHFFFAOYSA-O	239.708	-0.378	50	10	BBGE	
NC(=O)NCC(=O)NNc1ccccc1F	749260466	RXGHBOFXXZGTIY-UHFFFAOYSA-N	226.211	-0.063	50	10	BBGE	
COC(=O)N(C)NC(=O)C12CCN(CC1)C2	908113706	BYRNLXZKPGPZPO-UHFFFAOYSA-N	227.264	-0.188	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)c1ccnnc1	1142447625	WIKMOLKCIVGNFL-ZETCQYMHSA-N	238.247	-0.337	50	10	BBGE	
N#Cc1ccc(NNC(=O)Cc2nc[nH]n2)nc1	1177410736	CGDYFRJQUGNPMA-UHFFFAOYSA-N	243.230	-0.243	50	10	BBGE	
Cc1nccn1CC(=O)NNc1nnc(C)n1C	1329162772	ZNKJTVLPGVAFTP-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnnc1	1597671721	DKRVAHNSYBRDGJ-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
C[C@H]1[C@@H](O)CN1S(=O)(=O)CBr	1880271796	KEOHYTZLUINYDX-WHFBIAKZSA-N	244.110	-0.266	50	10	BBGE	
Cc1nc(=NC(=O)CBr)n(C)[nH]1	1881589450	BQBALIFZDAWSMB-UHFFFAOYSA-N	233.069	-0.121	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CCNC1=O	1883493986	LCAFHQHNYXYSIV-RITPCOANSA-N	204.657	-0.134	50	10	BBGE	
NC(=O)C1(N)CN(C[C@H]2C[C@@H]2Cl)C1	1883563377	KIVWJAZECAWXKA-RITPCOANSA-N	203.673	-0.888	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(S(=O)(=O)CCl)C1	1891925592	VZPCCZAOXOSHPC-NKWVEPMBSA-N	243.712	-0.406	50	10	BBGE	
O=C1CN(CC2CC(Cl)C2)CC(=O)N1	1893509934	SKZGRPJOUQZEPD-UHFFFAOYSA-N	216.668	-0.038	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)N1CC(C#N)C1	1894570127	DHPXOGSVDGRPMB-LURJTMIESA-N	237.712	-0.097	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1897023900	WVCPQEJHDVJNCF-NGZCFLSTSA-N	225.292	-0.765	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@]12CC[C@H]2N)S(C)(=O)=O	1901375574	NSSOUWDAHZNPNV-LKEWCRSYSA-N	247.320	-0.964	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@H]1N	1901377162	LBDWWVJZFALYFQ-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](COC[C@@]1(C)CCN(C)C1)C(=O)NN	1901425542	MDIUPFQADQJZIC-ONGXEEELSA-N	229.324	-0.029	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@@H](C)[C@@H](C)C(=O)NN	1902088559	VACFTDIJFIXYKP-UTLUCORTSA-N	231.340	-0.050	50	10	BBGE	
CN1CCN(C(=O)CCl)[C@H](CCO)C1	1902197295	IVHPMPWQOAOHQH-MRVPVSSYSA-N	220.700	-0.250	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CCC12CCOCC2	1902367111	UABCZEWZDSZTSM-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=S(=O)(c1cc[nH]c1)N1CC[C@H](B(O)O)C1	1902512570	NSOVPQSUQLFUTR-ZETCQYMHSA-N	244.081	-0.748	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1905583302	HXXQCRSRSMEARE-UTLUCORTSA-N	241.096	-0.266	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	1908896573	AKNJMBCMDXWAEV-NAKRPEOUSA-N	238.335	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2O[C@H]3C=C[C@H]2C3)O1	1910440526	QZZZVENMIJIFNL-QEYWKRMJSA-N	239.275	-0.532	50	10	BBGE	
C[C@@H](Cn1ccsc1=O)C(=O)NN	1912216151	YJBPPLBJTUQSLQ-YFKPBYRVSA-N	201.251	-0.464	50	10	BBGE	
NNC(=O)c1cc(CN2CC3(CC3)C2)on1	1914499779	VOKUMRIZBBTDJR-UHFFFAOYSA-N	222.248	-0.126	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)CCOCC(=O)NN	1928180046	WXMXQQMKVDSWHO-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
CSCCCN(C)CCOCC(=O)NN	1928182975	LEZWSOURYTYCOP-UHFFFAOYSA-N	235.353	-0.322	50	10	BBGE	
CN(CCCl)C(=O)Cn1cnnc1	1928689668	ZBHHXWTWXWRIBF-UHFFFAOYSA-N	202.645	-0.025	50	10	BBGE	
CN1CCN(CCC(=O)NN)C(C)(C)C1	1930667207	NILWLSLTBJRTJZ-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2[C@@H](O)C[C@H]2C1	1931420284	TULKACAJMNEZCH-XVMARJQXSA-N	225.697	-0.175	50	10	BBGE	
NNC(=O)C1(CN2CCSC[C@@H]2CO)CC1	1938230874	OAAMBOSEHJAMIK-QMMMGPOBSA-N	245.348	-0.834	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941086067	GTDWKLMDCRUJAD-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](O)C[C@H]1C	1944581899	YBVAPJATLBJKMH-XKSSXDPKSA-N	243.307	-0.755	50	10	BBGE	
CCC[C@]1(O)CCN(CC(=O)NNC(C)=O)C1	1945551228	JOUBMCJZGOHGMT-NSHDSACASA-N	243.307	-0.609	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CCOC1(C)C	1948229691	NFTATJVVJUQVIP-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1COCCCO1	1948399494	BTLWPHQTHVWAGR-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC(C)(CCOC[C@H]1COCCO1)C(=O)NN	1948419838	FNUUTKWHPIRWRY-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC[C@H]1CO)CC2	1948554421	PSOFKRAXLSQVEZ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC1(C(=O)NNC(N)=S)CCC1	1953887397	HHGZIMJYVJKLFY-UHFFFAOYSA-N	203.267	-0.580	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(C)CC1	1956701905	ACGYSSUXSNKLBK-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1[C@H]1C[C@H]12)C(=O)NN	1958447096	YIGUMNAETGEDPE-MBGOZMDMSA-N	209.293	-0.047	50	10	BBGE	
OCCN1CCN(CCOCCCl)CC1	1960147152	CLCJDJMNXDPQCV-UHFFFAOYSA-N	236.743	-0.148	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CC[C@@](F)(C2)C1	1960930474	QFUPBWJDYSDPPD-IMTBSYHQSA-N	215.228	-0.673	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(F)(CO)C1	1961737283	LYCBKBOYNZXKRN-RQJHMYQMSA-N	219.260	-0.983	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](C(N)=O)C[C@@H](N)C1	1962267629	NDQPIZXWMRMNRM-BIIVOSGPSA-N	230.699	-0.748	50	10	BBGE	
CN1CC[C@@H]2CCN(CCC(=O)NN)C[C@H]21	1976006738	SPQDDQPBQIRFDO-NXEZZACHSA-N	226.324	-0.608	50	10	BBGE	
O=C(CCC1CC1)N[C@H](CB(O)O)C(=O)O	1976996223	XDRUGKFIVIZSHW-SSDOTTSWSA-N	229.041	-0.781	50	10	BBGE	
CCO[C@H]1C[C@H](OC)CN(CC(=O)NN)C1	1978976441	BMRCWHVLKRHMCP-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](n2cccn2)C1	1981053985	QMTWPVVDQJBPLE-SECBINFHSA-N	223.280	-0.490	50	10	BBGE	
Cc1nc(OC2CC=CC2)ncc1B(O)O	1981423419	DHINCOFRXDMESR-UHFFFAOYSA-N	220.037	-0.438	50	10	BBGE	
N#CC1(O)CCN(Cc2nc(=O)o[nH]2)CC1	1981694182	LRZDOSRVBPTYHN-UHFFFAOYSA-N	224.220	-0.787	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1CCCC(=O)NN	1985714920	HUROKWDLPQQEPD-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@H]1CF	1985768550	ZNNOQTGNABCDFI-RKDXNWHRSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@@H]2CCC[C@H]2C1	1986161932	JXGOAJBCDSGNAF-IUCAKERBSA-N	225.292	-0.081	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCCCN1C	1986994806	LFQMMHIMWXBMQL-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2CC1C2	1988002945	DTMZTQDSHGPDRJ-UHFFFAOYSA-N	222.028	-0.501	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1CC(CO)C1	1990038663	HQOUKRKKDNDPHY-UHFFFAOYSA-N	229.324	-0.295	50	10	BBGE	
NCCc1nc(NC(=O)/C=C/C(=O)Cl)n[nH]1	1991713734	WVWHPYKKNLGKLF-OWOJBTEDSA-N	243.654	-0.434	50	10	BBGE	
C=C(CN1CC[C@H]2CCOC[C@H]2C1)B(O)O	1992159614	NGBXNUJWAKJYRD-WDEREUQCSA-N	225.097	-0.087	50	10	BBGE	
C=C(CN1CC(C)(C)[C@H]2COC[C@H]21)B(O)O	1992167432	KGZULSMBEUUFFG-VHSXEESVSA-N	225.097	-0.089	50	10	BBGE	
C[C@@H](CN1[C@@H](CO)CCC1(C)C)C(=O)NN	1994867705	JAIWAVSGSZDUTI-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CCN(Cc2c(C(=O)NN)cnn2C)C1	2003505755	HOSNECHEZSQRIE-QMMMGPOBSA-N	237.307	-0.135	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCN(C2CC2)CC1	2003818431	UQDLEDMHKIUBTK-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H]1CC[C@H]1N(C)c1ncc(B(O)O)cn1	2004916082	HPUCPJVLFVPPMD-PSASIEDQSA-N	235.096	-0.219	50	10	BBGE	
Cc1cnc(N2CCO[C@@H](C)C2)c(B(O)O)c1	2005018003	NBJJYVRBCRFBEJ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@H]2CO)C1	2010834795	HKIDHDLRPLNGPI-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2)C(=O)NN	2016210125	YDAMXUIFTLPLMJ-SQQIUAQRSA-N	245.298	-0.452	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1[C@H](C)C1(F)F	2019212150	RVVOAZSGZSTNAJ-XPUUQOCRSA-N	249.261	-0.013	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn(C2CC2)n1	2020063162	WFQKQRODXHBSSP-UHFFFAOYSA-N	235.052	-0.484	50	10	BBGE	
Cc1nc(O[C@@H]2CC[C@@H]3C[C@@H]32)ncc1B(O)O	2026071211	UIUPSOGJIDYREY-KHQFGBGNSA-N	234.064	-0.358	50	10	BBGE	
Cc1cc(NC(=O)c2cnco2)ccc1B(O)O	2031811378	OATCGCAQFZELLP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@@H]3CC[C@@H]32)CC1	2039395881	JGBISDKWMHGSLP-GARJFASQSA-N	249.314	-0.139	50	10	BBGE	
CN(C)C1(C)CN(Cc2cccc(B(O)O)c2)C1	2042512166	CQSGRACKPWUROO-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCc2nnccc2C1	2043020200	QNHWLANCWDLGND-RKDXNWHRSA-N	249.318	-0.151	50	10	BBGE	
Cc1ccc(=O)n(Cc2cccc(B(O)O)c2)c1	2051646285	KZSFKIAREOWNIU-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CCOc1cnn(-c2cc(C)c(B(O)O)cn2)c1	2052596022	BMQNGNWSFHHUGF-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2nc(C)c(C)c2C)n1	2052598753	VJGATDUPRLGINI-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3(CC3)CO2)n1	2052619286	DCNGLXVDNPLQHE-UHFFFAOYSA-N	249.079	-0.695	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(F)c1	2052621098	BURFMDZGGBPGFJ-PBCZWWQYSA-N	248.066	-0.255	50	10	BBGE	
CCc1ccc(B(O)O)c(C=O)c1OC	2060159872	YQYMXKLRGMRPDV-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCc1c(C=O)ccc(C#N)c1B(O)O	2060239480	IVNIXBGYSOSDAS-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CCO[C@@H]2C1	2065202127	IRUFBRXGKUNBOF-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
O=C(CN1CCO[C@H]2C[C@H]21)NNc1ccccn1	2075109221	PZQINZZKTJJPPL-ZJUUUORDSA-N	248.286	-0.002	50	10	BBGE	
CO[C@@H]1C[C@H]1CNC(=O)c1ccccc1B(O)O	2079010382	ZJYBMLFKWFCFPU-GZMMTYOYSA-N	249.075	-0.869	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@@H]1C1CCC1	2079930131	CSLISFBLMTXFAP-NXEZZACHSA-N	248.091	-0.029	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2C[C@@H]2C2CC2)n1	2079931930	LVYZOQZHXSALFK-VHSXEESVSA-N	248.091	-0.110	50	10	BBGE	
CC1=C[C@@H](Nc2ncc(B(O)O)cn2)CC1	2212610728	NYQPFVNZZSLOKV-VIFPVBQESA-N	219.053	-0.323	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CC[C@H]32)c1	2212614918	IFTISYFVEHXNOO-MYJAWHEDSA-N	218.065	-0.171	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2215771513	INJZRQQDZCGROP-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Nc1ccc(B(O)O)cn1	2217173073	OQVOELHXVDZJSN-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
CC1(CCNc2ncccc2B(O)O)CNC1	2217199346	BZLDIJDKGKYJQP-UHFFFAOYSA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2[C@H]3OCCC[C@H]23)nc1	2223652560	JYWIGRCLNGJTJZ-FOGDFJRCSA-N	248.091	-0.402	50	10	BBGE	
C[C@@]12CNC[C@@]1(COc1cc(B(O)O)ccn1)C2	2223662768	VFXGXWFRYKSCAX-VXGBXAGGSA-N	248.091	-0.860	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ccc(B(O)O)o1	2243349109	GESLLLSKNKKOHG-ZETCQYMHSA-N	223.037	-0.394	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1NC(=O)C1(B(O)O)CC1	2243364493	XXUWXUOQUIWPLQ-RQJHMYQMSA-N	227.069	-0.731	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1occc1B(O)O	2243365725	QZWNFXUWDPVFPN-CAHLUQPWSA-N	227.000	-0.953	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382794	RZWLMRYICYLPQJ-UYXSQOIJSA-N	227.069	-0.467	50	10	BBGE	
O=C(NN1CCCC1)c1ccc(B(O)O)s1	2243407207	NNDHZFYQCDTTDZ-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1csc(B(O)O)c1	2243408779	UZMYMJAHCQDESP-HTRCEHHLSA-N	239.105	-0.044	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCO[C@H]2C[C@@H]21	2243416747	MLAPUVRIWDTWLI-KZVJFYERSA-N	225.053	-0.761	50	10	BBGE	
CC(F)(F)C(=O)Nc1ccnc(B(O)O)c1	2243684835	HVAKOQCGAALBQG-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
O=C=N[C@@H]1CCOCCN1S(=O)(=O)C1CC1	2243977815	TYEHJUPYGFIOQY-VIFPVBQESA-N	246.288	-0.137	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)co1	2244210176	FEUAZNULNDZMBW-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
CC1(Oc2nccc(B(O)O)c2F)COC1	2245001331	KQXPYWQYNXFUSF-UHFFFAOYSA-N	227.000	-0.932	50	10	BBGE	
CC1CN(C(=O)Nc2ccc(B(O)O)cn2)C1	2246762500	PAZTWTSSIRPBTJ-UHFFFAOYSA-N	235.052	-0.755	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2247737759	JKHZCBNGLPWFQS-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247741539	BHUFABZGLPJPEJ-UHFFFAOYSA-N	234.064	-0.822	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@H]1C	2247752049	HRTDRAJTCCQPTK-MRVPVSSYSA-N	236.080	-0.578	50	10	BBGE	
CC(C)(O)[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2247754007	KXYDGBQRGKXNIV-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CC=CC1	2247760309	GDNMNJKXEXWPHP-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)[C@H]1C[C@@H](B(O)O)C1	2247787533	QIOLVPACKNQTBX-LOKLDPHHSA-N	239.080	-0.465	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]3C[C@H]32)oc1B(O)O	2247789437	WDXRITFRXZPMQG-JGVFFNPUSA-N	235.048	-0.498	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](CO)C1)[C@H]1C[C@H](B(O)O)C1	2247789730	ARBMBNJQEHLQBR-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805503	KMPCCLXRTIFHRK-XKNYDFJKSA-N	240.112	-0.422	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCCO1	2247807746	RURRWCAZGUZYOW-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](NC(=O)C#CB(O)O)CO1	2247851454	YRORTJPJBDZGHT-DTWKUNHWSA-N	239.080	-0.678	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247855191	OOOJUBOCFFDMNO-HRDYMLBCSA-N	240.112	-0.565	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccoc1B(O)O	2247866899	UZIBJFKZGUAISD-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
C#CCCCN(C)C(=O)c1ccoc1B(O)O	2247867881	AAKKOUBQGZEZGU-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
CN(Cc1cncn1C)C(=O)[C@H]1C[C@@H]1B(O)O	2247886608	DJIFPUGXSRNSSG-IUCAKERBSA-N	237.068	-0.759	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247887004	JBSXKQLYXBZMLU-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC[C@H]1O	2247896140	XMTVOSXCOIOZCE-CDLYGTGVSA-N	241.096	-0.341	50	10	BBGE	
O=C(NCCc1ccncc1)[C@@H]1C[C@@H]1B(O)O	2247897154	OQWADSRJHAJKJX-ZJUUUORDSA-N	234.064	-0.397	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)[C@H]1C[C@H]1B(O)O	2247899265	LXQUNPTXSODSLM-ZOZBQHSOSA-N	239.080	-0.467	50	10	BBGE	
N[C@@]12CC[C@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904886	RGFBDRFWNLRXLD-WYOJIJJFSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)O1	2247904967	RYJSHSPEMMFYOL-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
CCN(OC)C(=O)Nc1cccc(B(O)O)c1	2247973424	UPROSQNCEVPZPK-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
CC[C@@H](C)[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248593722	PWKJULJRKHNZIT-HTQZYQBOSA-N	241.052	-0.993	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1cocc1B(O)O	2249417573	HYXOOTAQGMXDFL-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)co2)CC(F)C1	2249417980	NJJTWIWMEQNYCC-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@@H](C(=O)NN)C(C)C	2250544555	CIELCFDHRQCRHJ-NXEZZACHSA-N	247.339	-0.670	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2cncc(B(O)O)c2)CC1	2255528651	BLPHZHSOKFXFIY-NSHDSACASA-N	246.075	-0.400	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC[C@@H](C)C#N	2255683147	RIBGNSFWYURBBQ-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1ccc(B(O)O)cn1	2255710479	LDBVKDKZCRTUTD-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1O)N1CCCCC1	2256017523	SDJGCFLDJHJCIS-UHFFFAOYSA-N	249.075	-0.302	50	10	BBGE	
N#Cc1ccc(C(=O)NCCC#CB(O)O)nc1	2258956888	IALZCZZEXMNHBQ-UHFFFAOYSA-N	243.031	-0.911	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CSC1=O	2297013391	KDHLFSNUQQPQHD-BYPYZUCNSA-N	217.250	-0.550	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@@H]1CCC[C@H]1O	2297944126	VESMNYFKHGPNME-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@H]1O	2298165244	MIRGZDUKMJCLCP-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2298368265	WHNJGOPMOKBPLJ-HLTSFMKQSA-N	238.096	-0.811	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2CNC[C@H]21	2298369808	GCPZSLUMSYPLEY-ZYUZMQFOSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H](O)[C@H](C2CC2)C1	2298370756	KVEVQGPMWJARFW-RGOKHQFPSA-N	239.080	-0.921	50	10	BBGE	
C=C(CN1C[C@H](OC)[C@@H](OC)[C@@H]1CF)B(O)O	2302225514	WMTQLVLABJJWDK-GUBZILKMSA-N	247.075	-0.762	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H](C)[C@H]3C2)n1	2312067422	SOSALSOBNAGOAY-FXBDTBDDSA-N	247.107	-0.443	50	10	BBGE	
OC[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312612199	ICHAPAGNPHDZHL-AYHFEMFVSA-N	248.091	-0.810	50	10	BBGE	
CC12CC(C1)[C@H](Nc1ccc(B(O)O)cn1)CO2	2315931368	LEJGKZQZUHGJMA-KRBLXSNTSA-N	248.091	-0.259	50	10	BBGE	
O=Cc1ccc(N[C@H]2[C@H]3OCC[C@@H]32)cc1B(O)O	2317318037	NJMDVYFTKMNVKA-JLLWLGSASA-N	247.059	-0.622	50	10	BBGE	
CN(C)S(=O)(=O)NCCBr	5718087	WIHUXWCWFWKPTL-UHFFFAOYSA-N	231.115	-0.223	50	10	BBGE	
CCNC(=O)[C@H](C)NC(=O)NC(=O)CCCl	49230941	OGIHIJOTXNMJNA-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
NNC(=O)N1CCN(C(=O)c2ccncc2)CC1	71564100	FPWUCOFRFKWZPM-UHFFFAOYSA-N	249.274	-0.577	50	10	BBGE	
COC(=O)/C(C#N)=C1\N[C@H](C(=O)OC)CS1	71781358	GXOBXZSOIRAYSN-YXXZKMSWSA-N	242.256	-0.227	50	10	BBGE	
CN(C)[C@@H]1CCN(CCCC(=O)NN)C1	82469330	IOFNIUCFKZHNPK-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC/C1=N\NC(N)=O	83397244	VFSHKRSQTKQRKK-HOITVRGQSA-N	219.266	-0.392	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C(=O)[C@H](C)Cl	85088992	HEUSMKKBDLKFRC-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
CNCCN(C)Cc1ccc(C(=O)NN)cn1	94764022	RSZDSCFIDFISOY-UHFFFAOYSA-N	237.307	-0.664	50	10	BBGE	
COC[C@@H](C)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	104121526	AVGXXIKCNQLUAF-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
Cc1nc(C)c(C(=O)NNC(N)=S)o1	159710743	WDXVZRVBOUOAHX-UHFFFAOYSA-N	214.250	-0.231	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](CCO)C1	159980260	HHYHJDONHOYZAN-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
O=C1[C@@H]2CCCN2C(=O)CN1C[C@H](O)CCl	163076715	RXVALWJPEMBAKG-SFYZADRCSA-N	246.694	-0.581	50	10	BBGE	
N#Cc1ccc(CN2CCOCC2)cc1B(O)O	222920950	DQCPBUJLKUOOGC-UHFFFAOYSA-N	246.075	-0.930	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCO)C1CCC1	228569141	SVEBSCODFWUTFK-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
Cc1cc(=O)[nH]c(=O)n1C[C@H](O)CCl	232627215	JKVHHYVYQYGRQY-ZCFIWIBFSA-N	218.640	-0.555	50	10	BBGE	
C[C@H](Br)C(=O)NCC(=O)N(C)C	235431473	PGFZOCKIUIIWQZ-YFKPBYRVSA-N	237.097	-0.026	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)c1cccnc1	236923788	ARGDRQAZDVLTIX-QMMMGPOBSA-N	222.248	-0.420	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1[C@H](C)CCC(=O)NN	251713877	JOLWTBFNSHMHHX-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1c([C@@H]2CCNC2)ccc2c1OCO2	258138957	ISGNRRCIMBWXKP-SSDOTTSWSA-N	235.048	-0.828	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)CNC(=O)CCl)C1	258802599	TZOGFLYPVWOJFJ-QMMMGPOBSA-N	247.726	-0.496	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](OC)C1	300017792	CPGGRTHQPOKNLZ-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCN(C(N)=O)C1	307236251	NMDBSUCKSZYLNT-WDSKDSINSA-N	219.672	-0.117	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)[C@@H]1C[C@@H]1C	381433427	XIJGQNJAUVEHJT-XLPZGREQSA-N	213.281	-0.227	50	10	BBGE	
COc1cc(-n2ccnc2C)ccc1B(O)O	382638258	JEQCLKKEIWOMJH-UHFFFAOYSA-N	232.048	-0.131	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H](C)C(C)(C)O	382961169	ONSOOXGWOIPNGS-YUMQZZPRSA-N	233.312	-0.918	50	10	BBGE	
CCO[C@@H]1C[C@H](C(=O)NN)N(C(C)=O)C1	383837555	XLVSKWOBRPDHAE-HTQZYQBOSA-N	215.253	-0.998	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(F)F)C1CC1	386956736	OKAIKKFQEAJOQG-ZETCQYMHSA-N	237.250	-0.279	50	10	BBGE	
CC(C)(C)[C@H](Sc1nc(=N)[nH][nH]1)C(=O)NN	395607257	ASWBICNDFHMBJP-SCSAIBSYSA-N	244.324	-0.286	50	10	BBGE	
CC(C)(CCN1CCC[C@@H]1C(N)=O)C(=O)NN	395721554	SJXTUTPYESVYTI-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c2cc(O)sc12	396382312	MKJAVLHYLISMSR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(CCCF)CC1	402797257	VNOZIIOVXVNYLW-SECBINFHSA-N	232.303	-0.658	50	10	BBGE	
CO[C@]1(CO)CCCN(C[C@@H](C)C(=O)NN)C1	402834273	IHAMFBMXYLURDB-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
CNC(=O)Nc1ccc(F)cc1B(O)O	405149009	PLWLENPNIIQYBE-UHFFFAOYSA-N	211.989	-0.743	50	10	BBGE	
NNC(=O)[C@@]1(N)CCN(Cc2ccccc2)C1	575513240	GYVVRHCKVFDMTF-GFCCVEGCSA-N	234.303	-0.420	50	10	BBGE	
C[C@@H]1N[C@@H](Br)[C@@H]([N+](=O)[O-])N1	585664315	MZIGAFSLBFKOQL-BXXZVTAOSA-N	210.031	-0.151	50	10	BBGE	
C[C@@H](O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703424077	HBWOVBFFCZAPRI-CSMHCCOUSA-N	213.233	-0.326	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@@H](C3CC3)O2)c1	715471894	KUYHIJUYQQIXKR-MNOVXSKESA-N	236.080	-0.480	50	10	BBGE	
COC[C@](C)(CO)NS(=O)(=O)CCCl	716813292	FPQFDRCSOGODCG-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
CS/C=C\C(=O)NNC(=O)[C@@H]1COCCO1	751585012	GKJJUGARBOPDNL-KVFVURRZSA-N	246.288	-0.574	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccccn1	854121463	FIKNAXGNNQSPPQ-MBTKJCJQSA-N	247.254	-0.265	50	10	BBGE	
CC(C)OCC(=O)NNC(=O)c1cnsn1	894288211	POKHEWSKDVLYDK-UHFFFAOYSA-N	244.276	-0.276	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	897721371	FYWRIFWLEHDQOX-DTWKUNHWSA-N	243.307	-0.503	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@@H]1CCNC1=O	900393562	LGAYGLCSDGSWRC-ZETCQYMHSA-N	242.279	-0.747	50	10	BBGE	
CN1C(=O)N[C@@H]2CNC[C@H](Br)[C@@H]21	952958905	NMDUHXFKWHGWHV-JKUQZMGJSA-N	234.097	-0.255	50	10	BBGE	
CC(C)(C)OC(=O)NN=C[C@@H](O)CO	1084053420	RPUOROCHMMCBQK-ZCFIWIBFSA-N	204.226	-0.150	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1292256889	CGDUQGJIEXWZEX-DMAGGPPCSA-N	239.275	-0.288	50	10	BBGE	
CNC(=O)NNC(=O)CC1CCN(C)CC1	1325303392	QNBHKOQKEJLWMS-UHFFFAOYSA-N	228.296	-0.322	50	10	BBGE	
Cc1nnc(NNC(=O)C[C@@H]2CCOC2)n1C	1331794985	ORAKAMQGHJAGHO-QMMMGPOBSA-N	239.279	-0.007	50	10	BBGE	
CCC[C@@H](NC(N)=O)C(=O)NN(CC)CCO	1570727087	IWRGKIDJHNMBJL-MRVPVSSYSA-N	246.311	-0.831	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccccc1	1596967481	LWLREXZQFLGRMM-UHFFFAOYSA-N	218.220	-0.184	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccn(C)n2)nc1O	1608542091	UZXMQZKXJGTOQO-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
C[C@H](CC(N)=O)C(=O)NN=c1cc[nH]cc1	1611414563	PPVGWTHILFRAMZ-SSDOTTSWSA-N	222.248	-0.542	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CCc1nc[nH]n1	1643696189	BIRPNUMQLNCYRJ-SSDOTTSWSA-N	227.268	-0.919	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cc[nH]c1	1644567191	ARADIERPPFRVCC-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
C#CC(=O)NNC(=O)CNc1ccccc1	1650668287	JKHQJKLSOUUDLH-UHFFFAOYSA-N	217.228	-0.121	50	10	BBGE	
CN1CC[C@H](C(=O)CCl)S1(=O)=O	1881558526	WNPALBAZRWSWAC-ZCFIWIBFSA-N	211.670	-0.172	50	10	BBGE	
COC(=O)[C@@H](C)CS(=O)(=O)N=C=O	1882574774	WOLFWCOLWBXPQE-YFKPBYRVSA-N	207.207	-0.539	50	10	BBGE	
O=C1C[C@H](NC[C@@H]2C[C@H]2Cl)C(=O)N1	1883552501	NBMBBFXQAWYUQZ-JKUQZMGJSA-N	202.641	-0.382	50	10	BBGE	
NC(=O)COCCNC[C@@H]1C[C@H]1Cl	1883567311	OIWDCSJZBPEGHV-NKWVEPMBSA-N	206.673	-0.295	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](O)[C@@H]1C[C@@H]1Cl	1883645908	TUTDVCVRKMJTKN-VQVTYTSYSA-N	227.713	-0.134	50	10	BBGE	
CCN(C)C(=O)OCCNC(=O)NN	1885252014	YGOCKGRCALFGMS-UHFFFAOYSA-N	204.230	-0.752	50	10	BBGE	
COC[C@@H](OCC1(C)CC1)C(=O)NN	1886131664	MHZKLYHTAZIWKZ-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)C[C@@H]1CO	1886265555	NEUHYTSVKJVIGR-XUTVFYLZSA-N	219.668	-0.432	50	10	BBGE	
NNC(=O)CCCS[C@H]1CC[C@@H]1N	1887477674	BMYODHCXPUAHPL-BQBZGAKWSA-N	203.311	-0.021	50	10	BBGE	
OB(O)c1cc(F)c(F)c(OCF)c1	1887697721	UJYCEJCUJKBUOQ-UHFFFAOYSA-N	205.928	-0.050	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)C=CC(=O)Cl	1893411431	XGBAAXVRIUWFIF-PHDIDXHHSA-N	221.640	-0.834	50	10	BBGE	
C[C@](CO)(NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893468987	DQDTYRYIQJPUPE-GLDDHUGJSA-N	221.640	-0.435	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@H](C)CC(=O)NN	1899742843	AOAXSLVGKPYOEZ-UTLUCORTSA-N	227.308	-0.234	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@H]1CN2CCC1CC2	1900892848	MUGPKYPJBPUZFI-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1C[C@H]1C(=O)NN	1902091139	HUAIYCRFQCRDSP-BBBLOLIVSA-N	229.324	-0.439	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@@H]2F)[nH]cc1F	1903006872	ZDTUCZQRRVYISF-FSPLSTOPSA-N	228.007	-0.908	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H](C)CN(C)C	1904707748	MMMDAVRAVFUUJE-KXUCPTDWSA-N	230.356	-0.117	50	10	BBGE	
CC[C@@]1(C)NC(=O)N([C@@H](C)CC(=O)NN)C1=O	1905535037	QBTFZIPZIMLTTQ-QUBYGPBYSA-N	242.279	-0.525	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1cnc(C)c(B(O)O)c1	1908965019	ZPHGDWJPSHJUSA-GZMMTYOYSA-N	237.064	-0.516	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccns1	1913619336	VAVSFQNLGIXURP-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOC1CC1	1914550091	FZHINRDTDOJLFQ-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
CCCN(C1COC1)[C@@H](CC)C(=O)NN	1915660316	MZDVBNFTSGKGQZ-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](C)CCO	1917043630	UVBNQDMWSBPOID-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]2(CCC[C@H]2O)C1	1918421136	IFNCMPZGVBPEFS-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H](C)NC(=O)NNC(=O)C(F)(F)F	1923391459	PSCAEPAMAZHRDK-SCSAIBSYSA-N	243.185	-0.086	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CSC2)C1	1928606631	TYFCSFFGOGTVEZ-HTQZYQBOSA-N	227.333	-0.339	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2[C@H]3CCC[C@H]32)n1	1930482469	BNGLSAOHRTXELW-BRPSZJMVSA-N	206.054	-0.391	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@@H]2CC1=O	1931860895	PVUMCGVOLJKZGQ-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H]1[C@@H](CN(C)C(=O)C(=O)NN)C1(F)F	1933032927	RQSUICNGBDUQIC-RFZPGFLSSA-N	221.207	-0.664	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC([C@@H]2CC2(F)F)C1	1933055926	GLJXPFXYVHZJAI-FSPLSTOPSA-N	219.235	-0.048	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](C2CNC2)C1	1934444660	UWIZTVIZZUZCEQ-RNFRBKRXSA-N	209.698	-0.142	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1935286563	OCYDZBJRAFMGCU-HXFLIBJXSA-N	213.281	-0.790	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1[C@@H](CO)C2	1935287011	SVAWLSOXSJXUSI-VGMNWLOBSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccnc1[N+](=O)[O-]	1936092102	RFUQHSYKVMTQHI-NTSWFWBYSA-N	225.208	-0.583	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1CO	1936094442	NEKCWKLGFRXUOS-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H]1COCCN1C[C@H]1C[C@@H]1C(=O)NN	1936095686	ZWHWYPGWJLSJGH-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1940525692	TXZLYLYDZQTINO-RCWTZXSCSA-N	241.335	-0.010	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3CNC[C@H]32)CC1	1940664498	JZFUYJLAWFWVRS-ILWJIGKKSA-N	235.287	-0.671	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@@H]3C[C@@H]3C2=O)O1	1941672610	ULSJQWOXKFRLFB-XSPKLOCKSA-N	239.275	-0.998	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(CC2(C(=O)NN)CC2)C1	1945891338	KIYZMPTYKHXJHX-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
COC[C@@]1(OC)CCCN(CC(=O)NN)CC1	1946475047	QVHAVIBNDLPLCQ-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CC[C@H]1COCCN([C@H](COC)C(=O)NN)C1	1948710503	YOFZVNKONIJKEZ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
COC(=O)c1cc([N+](=O)[O-])ccc1B(O)O	1951328725	YRZXJBUZFNTZEO-UHFFFAOYSA-N	224.965	-0.939	50	10	BBGE	
CCOC(=O)c1nn(C)cc1[C@H](N)[C@H](O)C#N	1953043607	YGWHSYNUUKXDKF-SFYZADRCSA-N	238.247	-0.519	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H](CO)CO1	1954312429	XCFWBEGYXXUETO-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
CN(C)C(=O)C1(NC(=O)CCl)CC1	1954429533	FHHIUNNMCZXYCE-UHFFFAOYSA-N	204.657	-0.038	50	10	BBGE	
C[S@](=O)(=NCC(=O)NN)N1CCCC1	1956459849	XVMUOGKLNQLGAV-AWEZNQCLSA-N	220.298	-0.915	50	10	BBGE	
CO[C@@H]1CC(N(C)C(=O)NN)C[C@H]1OC	1957497143	PCBXIGFJCHKMFZ-HTQZYQBOSA-N	217.269	-0.306	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]2C[C@@H]2C1	1958454631	LIZFBDVXNKAPFW-HLTSFMKQSA-N	213.281	-0.667	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(F)F)C(=O)C(=O)NN	1958562432	BFDNNMRLGFUCHM-UHNVWZDZSA-N	221.207	-0.664	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC12COC2	1961512414	FGAOXJXEADUIJZ-QMMMGPOBSA-N	213.281	-0.524	50	10	BBGE	
CN(CC1CC1)c1ncc(B(O)O)cn1	1961676257	HQTOCAQVHQPSRY-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
C[C@H]1CCCN1c1ccncc1B(O)O	1961694148	KJJNHHINOFWXJM-QMMMGPOBSA-N	206.054	-0.250	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N2CC(F)C2)C1	1976213151	USYFEMYMTLILIE-SSDOTTSWSA-N	230.287	-0.907	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1976819646	ABWAUFPLSHXOFA-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H](O)C1CCCC1	1979849679	QPEODBKIISRPFR-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H]1COCCN1C(=O)C(=O)NN	1980790396	DKMOKTCBOMROOD-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](CN(C)C1(CO)CCCC1)C(=O)NN	1980804326	UGRUVSZIIUQNTE-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CC1(F)CN(c2ncc(Cl)cc2B(O)O)C1	1981472574	RLKDCFLYCCIACX-UHFFFAOYSA-N	244.462	-0.037	50	10	BBGE	
Cn1nnnc1N1C[C@@H]2[C@H](CCl)CO[C@H]2C1	1983991162	SDWATMMDFRKCAL-PRJMDXOYSA-N	243.698	-0.100	50	10	BBGE	
C[C@H](c1nccn1C)N1CC(=O)OC(=O)C1	1985319903	XVBWOCMMCSVEDJ-SSDOTTSWSA-N	223.232	-0.134	50	10	BBGE	
NNC(=O)COCCN1C[C@H](F)C[C@@H](F)C1	1985766568	FEKFOBPVIVUHAS-HTQZYQBOSA-N	237.250	-0.625	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)CC1(C)C)C(=O)NN	1986377508	CPYZRKSZFPZTKC-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C=C[C@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1990538280	BYTDCTOEFZSFPZ-NSHDSACASA-N	227.308	-0.375	50	10	BBGE	
C[C@H](CN1[C@H]2CCC[C@@H]1COC2)C(=O)NN	1992316889	UBSRZKOUNUBOBL-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993215480	UPCRDIJGRMTTJW-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
CCc1noc(CN(C)[C@@H](CC)C(=O)NN)n1	1997740274	KTHBWWDIYKJUDO-ZETCQYMHSA-N	241.295	-0.168	50	10	BBGE	
CCCNC(=O)[C@@H]1CCCN1CCC(=O)NN	2003617697	GZNDQQOZDKYYRT-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)CC12CCC2)C(=O)NN	2003751944	BKNUFIMBUNPOIJ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cnc(N2CCC23CCCC3)nc1	2004918085	HGCYIFYASJRGAU-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
C[C@@H]1CCCCN(c2ncc(B(O)O)cn2)C1	2004918306	JYOMQCUVAZSIET-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
Cc1cnc(OC[C@@H]2CCOC2)c(B(O)O)c1	2004936418	ZCTHMICLYNHTOH-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@H](CO)C[C@H]2C1	2005992658	VQKRGXYTSYAMSH-HWUMTFDVSA-N	239.319	-0.827	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)CC1(C(=O)NN)CC1	2006198934	NEWQVNODDMIDDH-NXEZZACHSA-N	239.319	-0.419	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2[C@H]3COC[C@H]32)cc1	2015137702	PMSGFNFOJRRHKL-GDNZZTSVSA-N	234.060	-0.362	50	10	BBGE	
CC12CCOC(Cn3ccc(B(O)O)n3)(C1)C2	2018179541	KGCDVJPNLUACHR-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
C=CC1(O)CCN([C@@H](COC)C(=O)NN)CC1	2018870428	AERCBSOBROXWHF-VIFPVBQESA-N	243.307	-0.996	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C1(C)COC1	2026710207	COABCCOOILIKOE-BDAKNGLRSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C2CCCC2)nc1	2052468314	BJQOVYJYPMAUAU-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2052623449	JOGXPGBVOGWJBL-AOOOYVTPSA-N	247.107	-0.381	50	10	BBGE	
CCOc1ccc(F)c(C#N)c1B(O)O	2060169885	VWSNGVOFUPHPQV-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C1CN(Cc2cccn3nncc23)CC(=O)O1	2066089935	YJYNMJSXRUHXQU-UHFFFAOYSA-N	246.226	-0.385	50	10	BBGE	
CC[C@H](S[C@H]1CCNC1)C(=O)NN	2209390759	ATYFMJWIAUMSAH-BQBZGAKWSA-N	203.311	-0.150	50	10	BBGE	
C[C@H]1CN(Cc2cc(B(O)O)cs2)CCO1	2211072734	PWJJYNVCTPZBQW-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNCCNCC1	2211441344	ZHGXTUVIDJSIJI-OWOJBTEDSA-N	245.710	-0.671	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1CC[C@H]1C(=O)NN	2211838398	HBWZPDKUXIZXQV-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CCN)Nc1nccc(B(O)O)c1F	2212603166	CXFOZUFRRWGIIO-ZCFIWIBFSA-N	227.048	-0.950	50	10	BBGE	
CO[C@@H](C)[C@@H](C)Nc1ccc(B(O)O)cn1	2212603771	RFMOMSWKVCJKPX-SFYZADRCSA-N	224.069	-0.403	50	10	BBGE	
C=C[C@@H](Nc1ncc(B(O)O)cn1)C1CC1	2212612840	PGUQKHRWRUDXPY-SECBINFHSA-N	219.053	-0.467	50	10	BBGE	
OB(O)c1cccnc1NC1(C(F)F)CC1	2212613654	YBEHPZQLXUQBPC-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2[C@@H]1C[C@@]2(C)O	2213351099	BNPUASWUJKHLHO-MWGHHZFTSA-N	241.335	-0.010	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](CO)CC1CC1	2213909590	AUTFAWLCSNVAGM-NXEZZACHSA-N	245.323	-0.916	50	10	BBGE	
CN(Cc1ncno1)C[C@@H]1CC[C@@H]1C(=O)NN	2215773582	BRFGLFZKAAKNSJ-YUMQZZPRSA-N	239.279	-0.483	50	10	BBGE	
CC(C)(COC[C@@]1(C)COCCO1)C(=O)NN	2216072705	JDWGOXJDPHDOEB-LLVKDONJSA-N	246.307	-0.175	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CCC2)[C@@H]1CO	2216495337	NGMUARBRTHRQMO-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@@H](O)C[C@H]3C2)CCC1	2216496377	BBSKMJNYIDLHAG-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
CC1(C)CNC[C@H]1Oc1ccc(B(O)O)cn1	2217171077	AAUXZEZVPKSAKH-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cccnc1NC[C@H](O)C1CCC1	2217171576	CMFVUJNLRFOYHD-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CC[C@H](C[C@H](C)O)Nc1ncccc1B(O)O	2217174377	YJLABWUTHSBKOG-DTWKUNHWSA-N	238.096	-0.277	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@H]3C2)cc1B(O)O	2217180769	VRJSVCBHPNCRER-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
CO[C@H]1C[C@H](Nc2cc(B(O)O)c(C)cn2)C1	2217182443	ASZIHGHCMGNIJQ-KYZUINATSA-N	236.080	-0.341	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CC=CCN2)nc1	2217190672	PAECMRBCKLJBKU-SNVBAGLBSA-N	234.064	-0.942	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H](C)O1	2217200501	KXIWNANXAPRSPI-DTORHVGOSA-N	236.080	-0.625	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CO1	2217203031	OQUBVLWSPPHLHQ-WCBMZHEXSA-N	236.080	-0.259	50	10	BBGE	
CCC[C@@H]1C[C@@H]1Cn1cc(B(O)O)cnc1=O	2217411677	WUWGLBUWTCQGQK-RKDXNWHRSA-N	236.080	-0.641	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c1	2223625451	DTFIXQIXLUMMKR-URLYPYJESA-N	247.107	-0.544	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC[C@@H]2C2CC2)c1	2223629999	XOASEEQBHKMNSX-GHMZBOCLSA-N	248.091	-0.402	50	10	BBGE	
C[C@@]1(C#N)CCCN(c2ncccc2B(O)O)C1	2223633188	TYZVDKBJRALOKF-LBPRGKRZSA-N	245.091	-0.109	50	10	BBGE	
Cc1cnc(NC[C@H]2NCC[C@@H]2C)cc1B(O)O	2223651747	YWHHDXOWEYKURR-GZMMTYOYSA-N	249.123	-0.520	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2223668930	DDANRGYITCREIO-GHMZBOCLSA-N	249.123	-0.344	50	10	BBGE	
OC[C@H]1[C@H]2CC[C@@H](C2)N1c1cc(B(O)O)ccn1	2223674187	NWDWQSAYJZWDIU-LSJOCFKGSA-N	248.091	-0.889	50	10	BBGE	
O=S(=O)(O)c1ccc(Cl)c(B(O)O)c1	2241494043	TWSMWYPNSCLLKE-UHFFFAOYSA-N	236.441	-0.734	50	10	BBGE	
COC(=O)[C@H](C)NC(=O)C1(B(O)O)CCC1	2243347013	GMQRAGZRNGDFGX-LURJTMIESA-N	229.041	-0.939	50	10	BBGE	
CC[C@]1(CNC(=O)C#CB(O)O)CCCO1	2243356536	JCHKJVPHYGJIIQ-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccsc1B(O)O	2243359158	PPLFERVZFYBWSA-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
CC(C)C[C@H](N)CNC(=O)C1(B(O)O)CC1	2243366007	WAVKCALWJJHXPF-QMMMGPOBSA-N	228.101	-0.517	50	10	BBGE	
CC(C)(CO)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243382010	KFVBZORSZHIBHP-YUMQZZPRSA-N	229.085	-0.626	50	10	BBGE	
O=C1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383401	XGCUFAVFGIQIAV-OOJXKGFFSA-N	223.037	-0.756	50	10	BBGE	
CC[C@](C)(CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243395680	ASBAXUYFNVSCGI-OYNCUSHFSA-N	229.085	-0.483	50	10	BBGE	
CC[C@H](COC)NC(=O)C1CC(B(O)O)C1	2243396665	PHAHORZKNUGDEC-AMDVSUOASA-N	229.085	-0.219	50	10	BBGE	
CC1(C)CCN1C(=O)c1nscc1B(O)O	2243398737	SWWIZQCXVHISCM-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
COCCN(C)C(=O)c1csc(B(O)O)c1	2243407385	QSCFDHZZNPDXIO-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420521	UYLKLYZTNDMZAW-CIUDSAMLSA-N	226.085	-0.988	50	10	BBGE	
C=CCOCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427518	WUEHLALCDSPBLQ-IUCAKERBSA-N	227.069	-0.442	50	10	BBGE	
C=CCN(C1CC1)S(=O)(=O)CC(=C)B(O)O	2243433340	KZCJIKXGMWCBHX-UHFFFAOYSA-N	245.109	-0.465	50	10	BBGE	
CC=CC(=O)NCc1ccccc1B(O)O	2243685143	NZGQROHCJVPUJD-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
C[C@H]1CCC[C@H]1C(=O)NCCC#CB(O)O	2244545656	AKPQQJMMBIBNAQ-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCC[C@@H](C(=O)O)C1	2245265149	CUIYBUNAUNZDHM-NKWVEPMBSA-N	229.041	-0.994	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(CNC(=O)CO2)C1	2245334986	GHLISOBGJNTXEO-ZETCQYMHSA-N	246.694	-0.269	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C1CC1	2247722213	LHBJRHSGCMXHDA-ZETCQYMHSA-N	234.064	-0.710	50	10	BBGE	
CCC(CC)NC(=O)c1cnn(C)c1B(O)O	2247736050	RVJMUHTXVGRGQT-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
O=C(NC[C@@H]1CCNC12CC2)C1(B(O)O)CC1	2247753225	CZGRFWCDQBFBRK-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
O=C(N[C@H]1CCCOCC1)[C@H]1C[C@@H](B(O)O)C1	2247787046	KHYTWXOGPHUKTR-AEJSXWLSSA-N	241.096	-0.075	50	10	BBGE	
COC(=O)CCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787457	PKIGXPMWKKIJGW-OCAPTIKFSA-N	243.068	-0.739	50	10	BBGE	
Cc1cc(C(=O)NC2(C)CCC2)oc1B(O)O	2247788626	IWEJILQWFQXQEV-UHFFFAOYSA-N	237.064	-0.060	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247805363	JYGOGPAPLMLLML-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247807478	IIEHLAFLLZVLIL-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2247848247	JAIVREFWOMMWOH-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1F)c1cc(B(O)O)c[nH]1	2247848472	MHYJCBODVUDUMK-YUMQZZPRSA-N	240.043	-0.685	50	10	BBGE	
CC1(C)CC[C@H](CO)N(C(=O)C#CB(O)O)C1	2247851201	WMRRLQVIOFWFEA-SECBINFHSA-N	239.080	-0.989	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]1C1CC(F)(F)C1	2247852313	SAYNMIDDLABWAE-QMMMGPOBSA-N	243.018	-0.352	50	10	BBGE	
O=C(N[C@@H]1CCO[C@H]1C1CC1)C1(B(O)O)CC1	2247855575	UYHBNIOFJBBYTJ-BDAKNGLRSA-N	239.080	-0.323	50	10	BBGE	
O=C(NCCCC(F)F)c1ccc(B(O)O)o1	2247867219	AVJFFDZCQPCBGK-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
COC12CC(C1)N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247896557	ZPVRSQLHKAATPC-SVWHESJJSA-N	239.080	-0.371	50	10	BBGE	
Cc1nnc(NC(=O)[C@@H]2C[C@H]2B(O)O)nc1C	2247896913	LXHMKQJVIWPTIP-RNFRBKRXSA-N	236.040	-0.710	50	10	BBGE	
Cc1cnccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247897456	SNYHDDATWARGAO-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
NC[C@@H]1C[C@@H](F)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247897995	ZIXOHEILOQORNA-BGZDPUMWSA-N	244.075	-0.863	50	10	BBGE	
C[C@@H](CN1CCOC(C)(C)[C@H]1CO)C(=O)NN	2247990390	SREGDIZOPDJYPU-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CN1CCOC(C)(C)[C@@H]1CO)C(=O)NN	2247990391	SREGDIZOPDJYPU-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H](CNC(=O)C1(B(O)O)CCC1)C(=O)O	2248574428	RKCCGPKGISOHBO-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
COCC(C)(C)NC(=O)c1cc(B(O)O)co1	2249432622	AAFAAFSOQQCDTQ-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C#CCCOC[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2251795021	KDHMOBXUMKMUIJ-RYUDHWBXSA-N	238.287	-0.045	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccon1	2255468207	XJUYJOHAYYYTET-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
Cc1ccc(C(=O)NN2CCCC2)cc1B(O)O	2255512868	HNSWUYGBFXNPBS-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C=C(CCN)CNC(=O)c1ccccc1B(O)O	2255532291	TYTBCRKRRQAYPT-UHFFFAOYSA-N	248.091	-0.999	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)c1ccco1	2255549356	QWGDRAQKGUBZIR-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1c[nH]nc1B(O)O	2255554277	KLFUQZYYAMKRJY-RDDDGLTNSA-N	249.079	-0.896	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCc2c[nH]nc2C1	2255563111	BZVBHQVZMALLJD-UHFFFAOYSA-N	249.079	-0.453	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1c[nH]nc1B(O)O	2255563673	IMVDGJBCBPKIEE-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
C=CCN(C(=O)c1ccc(B(O)O)cn1)C(C)C	2255716839	GIOBQLXNQVXPDK-UHFFFAOYSA-N	248.091	-0.202	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1[C@@H]2CCC[C@@H]12	2255735335	RHTIIPBOGBSDDP-RKDXNWHRSA-N	248.091	-0.767	50	10	BBGE	
C=C1CCN(C(=O)c2c(F)cccc2B(O)O)C1	2255736473	OCPXVLASTJQYRU-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1n[nH]cc1B(O)O	2255759669	DHAUSFGEUZYOKT-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
CN(C(=O)c1nccnc1B(O)O)C1(C)CCC1	2256057641	HRGLBEIABFCUFB-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]2CC[C@H]21	2258133456	OWHDNBOVHSTALH-GZMMTYOYSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CC[C@H]1C2	2258140514	ILJJNCMTGWYAGQ-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@H](C2)[C@H]1CO	2298369340	RGFNPQDTCSJQCQ-MQIGXGKASA-N	239.080	-0.779	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)C	2298652049	VOJOOVAMMQZHHH-HLTSFMKQSA-N	243.112	-0.143	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CC2)CNCC1(F)F	2299721933	RATQOPYLUORQFN-SSDOTTSWSA-N	248.038	-0.893	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@@H]1CCO1	2301347101	XUHYDFZNMKWFJL-JTQLQIEISA-N	232.048	-0.561	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2C=C[C@H]1CCC2	2301360307	NZIPTFZBKDMWMW-MXWKQRLJSA-N	233.076	-0.137	50	10	BBGE	
O=Cc1ccc(N2CC=C(F)C2)cc1B(O)O	2301453626	ZKYRBGFUMLDTQL-UHFFFAOYSA-N	235.023	-0.148	50	10	BBGE	
C[C@@H](COn1nnc2ccccc21)C(=O)NN	2301606328	VEEURAQVLNYCHV-ZETCQYMHSA-N	235.247	-0.514	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CC(=O)N(C)C	2302022198	INYRLDBLDWXOHS-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)C(C)(C)C(N)=O	2302050091	NJXQELZAKNBUMZ-MRVPVSSYSA-N	244.339	-0.269	50	10	BBGE	
CCc1nc(C(=O)N2CC[C@H](B(O)O)C2)n[nH]1	2303111303	HYYPTCVAVRDCGJ-LURJTMIESA-N	238.056	-0.944	50	10	BBGE	
COC1(CNc2ccc(C=O)c(B(O)O)c2)CC1	2317305393	DFOOINQOFJGIQD-UHFFFAOYSA-N	249.075	-0.230	50	10	BBGE	
O=Cc1ccc(N2CC=C[C@@H]2CF)cc1B(O)O	2317313172	SPKGCMLVDIAAOL-LLVKDONJSA-N	249.050	-0.107	50	10	BBGE	
CC[C@H](O)C(=O)N1CCc2cc(B(O)O)ccc21	2317546894	VEAWAZVUILHQBU-NSHDSACASA-N	249.075	-0.974	50	10	BBGE	
CCCNC=C(C#N)C(=O)N[C@@H](C)C(=O)O	2324967071	UBDRATXQLXGWLM-ZETCQYMHSA-N	225.248	-0.017	50	10	BBGE	
CCCCN(CCO)C(=O)CCC(=O)NN	58839267	LEHVUUMXXQXEEM-UHFFFAOYSA-N	231.296	-0.623	50	10	BBGE	
NNC(=O)N1CCN(C(=O)c2ccccn2)CC1	71564099	ABWDNRJHADANFE-UHFFFAOYSA-N	249.274	-0.577	50	10	BBGE	
CN(C)CCCN(C)CCC(=O)NN	82544095	YNAGQNUSYQQENX-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
CN(C)NC(=O)NC(=O)CC(C)(C)C(=O)O	148151703	XMBXEYCJGQMOLD-UHFFFAOYSA-N	231.252	-0.210	50	10	BBGE	
COc1ccc2c(c1)c(B(O)O)cn2C	202258021	GBXUUAXLAFYBPO-UHFFFAOYSA-N	205.022	-0.133	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)c(NC(C)=O)c1	204740338	RWNIUOUUZZELLI-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
O=C1NC(=O)[C@@H]2C[C@@H](Br)CN[C@@H]2N1	208897786	ZNGUCFCGLOHRPA-UOWFLXDJSA-N	248.080	-0.475	50	10	BBGE	
COc1ccc(-n2cc(C(=O)NN)nn2)cc1	229014119	CEKIZUXTVJXCFX-UHFFFAOYSA-N	233.231	-0.121	50	10	BBGE	
CNC(=O)[C@@H](C)NS(=O)(=O)CCCl	232299071	IYIHNKXWORIUPR-RXMQYKEDSA-N	228.701	-0.721	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CCC[C@H]2C1	232420613	MKLANPPCEAVCLA-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](Sc1ncccn1)C(=O)NN	232421305	SGJPLFSGTZWYOS-ZCFIWIBFSA-N	228.277	-0.426	50	10	BBGE	
COC[C@@H](Sc1nnc(C)s1)C(=O)NN	232421392	SSOBDSBQVPBZHK-RXMQYKEDSA-N	248.333	-0.056	50	10	BBGE	
C[C@H]1CN(C)CCN1[C@@H](C)C(=O)NN	235631743	FFPCYPIYPVKRJM-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(O)c(O)c1	236185279	AWFJNYCBOSONNT-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
CS(=O)(=O)CC[C@H]1NC(=O)OC1=O	238359399	GVYYKKDFRIJMIT-SCSAIBSYSA-N	207.207	-0.944	50	10	BBGE	
CNC(=S)N/N=C/C(C)=N/NC(N)=O	238360721	HYPNDVXQIAIZEQ-LQIBPGRFSA-N	216.270	-0.890	50	10	BBGE	
O=C(O)[C@@H](Br)S(=O)(=O)O	238631848	LUKWLIGSXPGYPJ-SFOWXEAESA-N	219.012	-0.320	50	10	BBGE	
O=CO[C@H](CCl)[C@H](Cl)C(O)O	238694896	ITSPVSHANOEWOB-DMTCNVIQSA-N	203.021	-0.315	50	10	BBGE	
COC(=O)N1C[C@@H]2C(=O)OC(=O)[C@H]2[C@@H]1C	253486363	WNDOKIJVJFYFNY-ZLUOBGJFSA-N	213.189	-0.227	50	10	BBGE	
O[C@H]1[C@H](Cl)[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@@H]32	257501723	OFZRLVSQPBQNQB-LTUMISQWSA-N	220.652	-0.292	50	10	BBGE	
CNNC(=O)[C@@H](N)c1ccc2c(c1)OCO2	259008296	HLJKXOIQURHDAH-VIFPVBQESA-N	223.232	-0.334	50	10	BBGE	
O=C(/C=C/C1CC1)NNC(=O)[C@@H]1COCCO1	266663761	DTCMASIDLLVAJJ-NWALNABHSA-N	240.259	-0.485	50	10	BBGE	
NNC(=O)c1cccnc1COC1COC1	300723112	ASFBUFPCSXXTKC-UHFFFAOYSA-N	223.232	-0.400	50	10	BBGE	
N[C@H]1COC[C@@H]1C(=O)NCC(Cl)Cl	307291504	BHRMRCQNJFOUSL-WHFBIAKZSA-N	227.091	-0.120	50	10	BBGE	
C[C@]1(O)CCC/C(=N/NC(N)=O)[C@@H]1O	307668581	KOLJHRKQGBHBCP-FQSHVDOQSA-N	201.226	-0.694	50	10	BBGE	
CO[C@H](C)CN(C)CCCC(=O)NN	308540744	NWCNISOMNUTHRF-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
COCCNCC(=O)NNC(=O)C1CCC1	309668698	VGBHUHDYUYINHD-UHFFFAOYSA-N	229.280	-0.830	50	10	BBGE	
CC[C@@H](C)ONC(=O)NNC(N)=S	388367364	WAALLKCAUGKDHE-SCSAIBSYSA-N	206.271	-0.236	50	10	BBGE	
CC[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1O	399952078	YKTRCNUOANMDEH-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CO[C@]1(CO)CCN(C(=O)CCl)C1	401810772	DAKMOONDVPNHLJ-MRVPVSSYSA-N	207.657	-0.165	50	10	BBGE	
CCc1cc(B(O)O)ccc1N[S@](C)=O	404867385	CUJQARQXPBXOJK-HNNXBMFYSA-N	227.094	-0.366	50	10	BBGE	
Cc1ccc(N[S@@](C)=O)c(B(O)O)c1	405072036	CKIXCSOUMGZUSO-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H]1COC(=O)N1	497019404	SSRSCSMZVUOSBR-RXMQYKEDSA-N	245.235	-0.349	50	10	BBGE	
CCn1ncc(COc2ccc(B(O)O)cc2)n1	584911245	ZVKRMCIFVJIISJ-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CC[C@H](/C=N/NC(N)=O)[C@@H](C)/C=N/NC(N)=O	585669187	DDMBJBYIAQTMGB-OOAMQGRBSA-N	242.283	-0.043	50	10	BBGE	
CN(C)CCSCC(F)(F)C(=O)NN	685956199	NNHWWDXXHKTCJN-UHFFFAOYSA-N	227.280	-0.094	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)CC(=O)NN	687459830	ANZIIQHKAHOWJH-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2COCCO2)CC1	692111145	DBIHNWIVKIUWAC-VIFPVBQESA-N	240.259	-0.721	50	10	BBGE	
Cc1cn(C[C@H]2CC[C@@H](C(=O)NN)O2)c(O)n1	699584958	HRWYSLGHDDMAKJ-SFYZADRCSA-N	240.263	-0.565	50	10	BBGE	
NC(=S)NNC(=O)CCc1ccncc1	700853145	UCTNTCHVKNTLQD-UHFFFAOYSA-N	224.289	-0.121	50	10	BBGE	
CO[C@H](CNC(=O)C(=O)NN)C1CCCCC1	702147373	ROMANMOJUHFVKT-SECBINFHSA-N	243.307	-0.312	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCN1c1ncccn1	704676999	ZSQGFLSMSGQVQZ-QMMMGPOBSA-N	221.264	-0.223	50	10	BBGE	
COC[C@H]1CN(C[C@H](O)CCl)CCO1	706574207	PQBQUKFXWMIKAL-RKDXNWHRSA-N	223.700	-0.067	50	10	BBGE	
CC(=O)N[C@H](Cc1cccc(O)c1)B(O)O	709924046	GTHOVWQPGZSIGF-SNVBAGLBSA-N	223.037	-0.549	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H]1CCCN2C	720446545	PBTVSJLRLSCPSJ-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2[C@H]1CCCN2C	720446548	PBTVSJLRLSCPSJ-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(CO)(CO)C1	721395182	FQNFTVXAGQEKQU-LURJTMIESA-N	207.657	-0.573	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@H](CN)C1	722378103	CRMZBMWXTCNIRR-XLPZGREQSA-N	220.700	-0.218	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@H]1COC[C@@H]1O	725604386	WGSWLYSCVVFXDP-VQVTYTSYSA-N	207.657	-0.168	50	10	BBGE	
O=C(/C=C/c1ccco1)NNC(=O)c1cnn[nH]1	729455720	VTHZPBMVRJAMDU-ONEGZZNKSA-N	247.214	-0.128	50	10	BBGE	
CC(C)CCCC(=O)NNC(=O)CO	827895844	WHQLDDNJRPBJJV-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
O=C(NN=C1CC(=O)N2CCC[C@H]12)c1cn[nH]c1	863154357	WAUBFICKAWUXCE-SECBINFHSA-N	247.258	-0.110	50	10	BBGE	
CCN(C=O)CNc1ccc(B(O)O)cc1	1088207806	NRWHPNAMDHZLJZ-UHFFFAOYSA-N	222.053	-0.786	50	10	BBGE	
CCC(=O)N[C@@H](CCSC)C(=O)NN	1328523902	HELDUMRTVLKFQH-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
O=C(NNC(=O)C1CC1)C1=C[S@](=O)CCC1	1440410799	KMOZKRPTMBDFNX-MRXNPFEDSA-N	242.300	-0.030	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1ccc(C=O)[nH]1	1447804923	USIAKHJTGYXDEN-UHFFFAOYSA-N	239.231	-0.641	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1ccc2nn[nH]c2n1	1463691424	QFMPFWLYRAVQGJ-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
C=CCNC(=S)NNC(=O)c1n[nH]cc1F	1587159230	RIUKDVXNANCNHT-UHFFFAOYSA-N	243.267	-0.156	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1cnn[nH]1	1625729382	TTXCMVKHYRSUOZ-UHFFFAOYSA-N	226.240	-0.912	50	10	BBGE	
NCC1(O)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1883638425	GCALIELTZGFVHH-NTSWFWBYSA-N	204.657	-0.854	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC#CCO	1883647908	SEBIVWPRPWKPPJ-ONEGZZNKSA-N	201.609	-0.580	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)[C@H]1C	1885870996	CEGZHQCEZOMEEW-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
N[C@H]1[C@@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]12	1893406350	WEMYRADSUXKSMK-KPCSLPGQSA-N	214.652	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3CC2C3)O1	1896175015	COMVLQREHDKPEZ-BMNUFHGDSA-N	225.292	-0.382	50	10	BBGE	
O=S1(=O)C[C@H]2CCC[C@@]2(CB(O)O)C1	1901540711	ZBTODNXFGXEBKG-HTQZYQBOSA-N	218.083	-0.326	50	10	BBGE	
C#C[C@@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903009049	CQOYTBPSZYVWEV-SSDOTTSWSA-N	222.028	-0.996	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CN(C2CC2)C1=O	1906942557	KFQOGIHARYPRGL-LURJTMIESA-N	240.263	-0.819	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@@H]2CCCN2C1=O	1906993580	HYONMECCBJUSOM-BQBZGAKWSA-N	240.263	-0.819	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C1CC1	1908855011	VTJAZTYGWPRUDT-GMTAPVOTSA-N	241.335	-0.154	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)CC(=O)NNC(C)=O	1909985487	GLKROZFMBSNCEZ-UWVGGRQHSA-N	243.307	-0.632	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1F)c1cccc(B(O)O)c1	1910489271	NZAQEVUWOKQJJO-WPRPVWTQSA-N	237.039	-0.546	50	10	BBGE	
C[C@@H](O)CN(CC(=O)NN)Cc1ccccc1	1914639124	NFZUZYYZGHAKPF-SNVBAGLBSA-N	237.303	-0.141	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@@H]1CCNC1=O	1916211556	GRIDKARLESNTFT-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CN1C[C@H](O)[C@@H](NC(=O)CBr)C1	1928756677	WVNQSMZETBBLBH-WDSKDSINSA-N	237.097	-0.828	50	10	BBGE	
CC(C)CN(CC(=O)NN)[C@H]1CCOC1	1931867411	BUGNMONMCHTBCF-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](CN1CCOC(F)(F)C1)C(=O)NN	1932125877	DVWVPBWAVKOUHL-LURJTMIESA-N	223.223	-0.463	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCOC1(C)C	1933167125	MMHUKZNZYLUWAM-LURJTMIESA-N	215.253	-0.998	50	10	BBGE	
COC(C)(C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1936093491	FFVGIPSUVNUZOX-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
COC(=O)N(C)Cc1sc(B(O)O)cc1C	1939887508	YBDJHPXPVOCTGY-UHFFFAOYSA-N	243.093	-0.065	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](CO)C2(CC2)C1	1940895327	GRTAQLVIPPKVNX-ZETCQYMHSA-N	249.261	-0.684	50	10	BBGE	
N#Cc1cccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941089992	XZYQPFVWVZEOOQ-DTWKUNHWSA-N	232.243	-0.654	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@@](C)(O)CO	1954506513	NGQCZBFVZHNUCK-HTRCEHHLSA-N	209.673	-0.137	50	10	BBGE	
CC1(C)C[C@H](OCCC(=O)NN)CO1	1956937238	VSNRTNKRLOIOSE-ZETCQYMHSA-N	202.254	-0.050	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@@H]1C(=O)O	1957258273	YXSFAARKTZHFRJ-NKWVEPMBSA-N	217.656	-0.524	50	10	BBGE	
O=C(NNCCO)[C@H]1CC[C@@H]2[C@H]1C2(F)F	1958117180	ORBFOZKSWXOUDD-XVMARJQXSA-N	220.219	-0.109	50	10	BBGE	
OB(O)c1cnccc1N1CCCCO1	1961678054	KSDXPCCNEFPKQI-UHFFFAOYSA-N	208.026	-0.707	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1CCO[C@H]1C(N)=O	1962375379	DCGMPTQITKOBRD-VMHSAVOQSA-N	234.683	-0.237	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cnnn1C	1974772260	ILAKUHLPQLDUHA-ZCFIWIBFSA-N	248.695	-0.666	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC[C@@H]2O)C1	1975355090	HKCDJTQFTJQIDE-SFYZADRCSA-N	213.281	-0.788	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(N2CC(F)C2)C1	1976192430	WBICLQFSGOCAMM-UHFFFAOYSA-N	249.673	-0.201	50	10	BBGE	
C[C@@H](CN1CCn2cccc2C1)C(=O)NN	1980957086	LBKSRWMDGOODFS-VIFPVBQESA-N	222.292	-0.070	50	10	BBGE	
C[C@H](CN1CC(CCN(C)C)C1)C(=O)NN	1983327426	MIQZMYOROIZKMX-SECBINFHSA-N	228.340	-0.504	50	10	BBGE	
CC(C)COCn1cccc(B(O)O)c1=O	1984100988	FRUNONMXMCBMOV-UHFFFAOYSA-N	225.053	-0.842	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@H]21	1988712774	YJYRSTGQRAUFRF-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](CN1CC[C@H](CO)C12CC2)C(=O)NN	1988761818	PSAGDGHKRCXRON-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
O=C(O)C(=O)N1CCN(C[C@@H]2C[C@@H]2Cl)CC1	1991439469	SJFVOEXFSJROPJ-YUMQZZPRSA-N	246.694	-0.158	50	10	BBGE	
CN1CCO[C@H](CNC(=O)C=CC(=O)Cl)C1	1991662599	MJMJQUFBXBPXHO-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
C=C(CN1C[C@H](C)N(CC)[C@H](C)C1)B(O)O	1992160392	WEUBCHHJNQWWPV-PHIMTYICSA-N	226.129	-0.031	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)C(=O)NN)ncn1	1995109700	MMEVDNMKVCWLJN-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
CC(F)(F)CC(=O)Nc1ncc(B(O)O)cn1	1996646155	RMPOTIXTYGXHCC-UHFFFAOYSA-N	244.994	-0.860	50	10	BBGE	
CCC[C@@H](COC)N(C)CCOCC(=O)NN	2001430109	XDAAAMROLPTSSO-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@H]2CC[C@H]21	2002916314	NQDKYLGQXKHMGT-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@]1(C)CO	2003269185	UBWWGZLRXHNUDS-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCn1cncn1	2003835232	OLXLGDIWICHNCB-IUCAKERBSA-N	240.311	-0.776	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H]([C@H]2CCCO2)C1	2004396593	NOLSNDKMTHLBLP-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
CC[C@@H]1CN(c2ncccc2B(O)O)CCO1	2004936427	ZFIJMBGOVXOUAA-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2C2CC2)c(F)c1	2005014235	IQXJIUUARGVWJA-SNVBAGLBSA-N	236.055	-0.111	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1ccc(C(=O)NN)nc1	2007739979	CQVOUDJVAHYZMP-SSDOTTSWSA-N	234.259	-0.194	50	10	BBGE	
CCc1cc(CN(C)[C@H](C)C(=O)NN)n(C)n1	2017403505	HPYMRVSETROXGL-MRVPVSSYSA-N	239.323	-0.207	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1[C@H]2COC[C@H]21	2020067080	CRMVPLXRORRQMW-WPYKOPORSA-N	237.064	-0.904	50	10	BBGE	
Cc1cc(NN)nc(N2CCC(O)(C#N)CC2)n1	2032077747	ZKPHBBMVALNQIS-UHFFFAOYSA-N	248.290	-0.075	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccccc1B(O)O	2079008183	FTXAINKBEKFLFQ-UHFFFAOYSA-N	243.071	-0.372	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1B(O)O	2079010210	XXBYQNGFEYVZEK-MYJAWHEDSA-N	245.087	-0.105	50	10	BBGE	
C[C@@H](CN(C)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)NN	2211533125	UZUFUGOTHYPDCN-QCLAVDOMSA-N	227.308	-0.136	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC2(F)F)[nH]c1	2212602046	XUXKZKPIIWLLMB-LURJTMIESA-N	228.007	-0.750	50	10	BBGE	
CC1(C)CC(n2cc(B(O)O)cnc2=O)C1	2212714857	CWCRATSAMLJZGW-UHFFFAOYSA-N	222.053	-0.716	50	10	BBGE	
CC[C@@H](CNC)Oc1cc(B(O)O)c(C)cn1	2217183814	OJKAQCHYUBTJBZ-VIFPVBQESA-N	238.096	-0.553	50	10	BBGE	
CC(C)[C@H](O)[C@@H](C)Nc1ncccc1B(O)O	2217195602	LSQNGTGVPIUHDI-SCZZXKLOSA-N	238.096	-0.421	50	10	BBGE	
C[C@H]1[C@@H](Nc2cc(B(O)O)ccn2)CCN1C	2217200124	IAUDXQYMYJZQOE-WPRPVWTQSA-N	235.096	-0.734	50	10	BBGE	
NCC1(Nc2ccc(B(O)O)cn2)CCCC1	2217201395	YCXZTIFLQUSPJC-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)Nc1cc(B(O)O)ccn1	2217203574	XEPCNKXTZNFZCJ-LDYMZIIASA-N	238.096	-0.421	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3CNC[C@H]32)c1	2220066940	UPWSBGJOXWMAIH-DGCLKSJQSA-N	246.119	-0.840	50	10	BBGE	
CCN1CC[C@H](CNc2cc(B(O)O)ccn2)C1	2223646419	KMNCTHIJJGSBHQ-SNVBAGLBSA-N	249.123	-0.485	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)C1(B(O)O)CC1	2241478498	GQCVUPZWGPKCJM-CQSZACIVSA-N	219.071	-0.362	50	10	BBGE	
C[C@H](CF)N(C)C(=O)C1(B(O)O)CC1	2241728697	ATYCVTNCBDGXEA-ZCFIWIBFSA-N	203.022	-0.190	50	10	BBGE	
O=C(CBr)N1CC[C@@H]1[C@H](O)CO	2241810440	DBSQAJYVRCVUCX-PHDIDXHHSA-N	238.081	-0.665	50	10	BBGE	
C[C@H]1CCC[C@@H](CNC(=O)C#CB(O)O)C1	2243356787	MVHPZYINUUPVJW-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
C#CC[C@H](CNC(=O)C#CB(O)O)C1CC1	2243362743	VZSJKLKVSUZOPS-SNVBAGLBSA-N	219.049	-0.833	50	10	BBGE	
O=C(N[C@H]1[C@H]2COC[C@H]21)C1(B(O)O)CCC1	2243363407	GKNKXCLMSGHDDR-RNLVFQAGSA-N	225.053	-0.856	50	10	BBGE	
CC1(C)CN(C(=O)c2cc(B(O)O)cs2)C1	2243384993	AQBPFJAQYPJWSH-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CC[C@@H](CCO)NC(=O)C1CC(B(O)O)C1	2243396920	SMNKJDZCDVPZLS-HACHORDNSA-N	229.085	-0.483	50	10	BBGE	
CCO[C@H](C)CNC(=O)C1CC(B(O)O)C1	2243396956	SXWGVEAABOEXRU-AFPNSQJFSA-N	229.085	-0.219	50	10	BBGE	
C[C@@H]1CCN(C(=O)C#CB(O)O)C[C@@H](C)O1	2243399466	MKFHVAZNWACGGN-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1CC(=O)N1C(=O)c1csc(B(O)O)c1	2243406988	JERROACNCXQBKP-RXMQYKEDSA-N	239.061	-0.811	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1sncc1B(O)O	2243415263	QYKLLHZETMBBRX-VDTYLAMSSA-N	240.093	-0.697	50	10	BBGE	
C=C(C)C(=O)N(C)Cc1sccc1B(O)O	2243679382	XJSDQZPTXQZDET-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
N#CCCS(=O)(=O)N1CCC(B(O)O)CC1	2244170152	CXQJGBZSNJMJTA-UHFFFAOYSA-N	246.097	-0.831	50	10	BBGE	
CC(C)(F)CNC(=O)c1cc(B(O)O)co1	2244212231	MYHQLTVEPSLQEO-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
C=CC1(NC(=O)c2cocc2B(O)O)CC1	2244219231	HUCCVUCZVVFLHE-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C[C@@]12CC[C@@](C)(CN1C(=O)C#CB(O)O)C2	2244701853	KELFHRBXZFGOQG-MNOVXSKESA-N	221.065	-0.207	50	10	BBGE	
CNCCCOc1cc(B(O)O)c(Cl)cn1	2245912628	DKJWOGHZIMGMFS-UHFFFAOYSA-N	244.487	-0.597	50	10	BBGE	
Cc1ncnc(OCCOC(F)F)c1B(O)O	2246680938	NLYJUXPKDBERCA-UHFFFAOYSA-N	247.994	-0.917	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CCC1)N(C)C	2247734016	QQICLCRSECIIQU-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CC[C@H](COC)NC(=O)c1coc(B(O)O)c1	2247736665	YGBLCPYSRWEWCL-MRVPVSSYSA-N	241.052	-0.886	50	10	BBGE	
C[C@]1(C(F)(F)F)C[C@H]1CNC(=O)C#CB(O)O	2247741464	ACSYSGABJASBGC-XPUUQOCRSA-N	248.997	-0.294	50	10	BBGE	
C#C[C@H](NC(=O)c1ccoc1B(O)O)C(C)C	2247741930	IACZETLMPQEEAP-VIFPVBQESA-N	235.048	-0.653	50	10	BBGE	
CC1(C)CO[C@H](CCNC(=O)C#CB(O)O)C1	2247744936	ZSHXPPYIVDEUGR-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC1CC(F)C1)c1occc1B(O)O	2247757965	YVHPHWAJLBAOOY-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
CC(C)C[C@](C)(CN)NC(=O)[C@H]1C[C@H]1B(O)O	2247798467	ULZWLMAIASOLSN-IQJOONFLSA-N	242.128	-0.271	50	10	BBGE	
CC(C)C1(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2247850476	OTFRNWYQNCKHFE-UHFFFAOYSA-N	236.080	-0.387	50	10	BBGE	
C=CC[C@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247851638	HRIIQPWBUWXTAV-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
CC(C)(C)CN(CCO)C(=O)C1(B(O)O)CC1	2247853794	RMTKTRKLAKVZCB-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
COC(C)(CCNC(=O)C1(B(O)O)CC1)OC	2247854989	LUPSILBBSCYAJD-UHFFFAOYSA-N	245.084	-0.491	50	10	BBGE	
C[C@H]1COCCN(C(=O)C2(B(O)O)CCC2)C1	2247873368	AUFAUZYURIPSBH-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2247874240	PCEWWLHQKLNXSL-OIBJUYFYSA-N	234.064	-0.710	50	10	BBGE	
C[C@]12CN(C(=O)C3(B(O)O)CC3)C[C@@]1(CO)C2	2247878532	LEZIDMWDERUODA-VHSXEESVSA-N	239.080	-0.776	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CNC2)C1(B(O)O)CC1	2247879944	WXPHWEFBKUQTKG-LDYMZIIASA-N	238.096	-0.748	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1CN2)[C@H]1C[C@H](B(O)O)C1	2247895070	NUJRCFHLYCJZGS-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
C[C@@]1(O)CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247896162	XSXMUOZVTDCDOW-FTYOSLGDSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2247899251	LTSZJSICBIABKB-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
CC#CCC(=O)Nc1ccc(B(O)O)c(F)c1	2248444451	AKFYYKITKLETPZ-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2249417794	LBHVZOGDGRISEK-QMSLJYSESA-N	235.048	-0.512	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2249603241	IEJBHSUWDDESGA-YTWAJWBKSA-N	241.335	-0.296	50	10	BBGE	
C#CC1(NC(=O)c2sc(C)cc2B(O)O)CC1	2249990450	OXFLWGRZQPTLFO-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
CC(C)n1cnnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2250325878	CPGSGPFDGWJVFI-BQBZGAKWSA-N	238.056	-0.340	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ccncc1B(O)O	2255452125	DMGVZNRINBAWFE-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1cncc(B(O)O)c1	2255516119	HYAROCWKJUUNKC-UWVGGRQHSA-N	246.075	-0.710	50	10	BBGE	
C=CCCCN(C)C(=O)c1cncc(B(O)O)c1	2255524056	UZBSYEGUGTXQRA-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2255524596	YAVDNUAIVZPXQV-SNVBAGLBSA-N	246.075	-0.448	50	10	BBGE	
Cc1ccnc(C(=O)NC2[C@@H]3CC[C@@H]23)c1B(O)O	2255580576	FDSMOULTRBZFBV-HTQZYQBOSA-N	246.075	-0.792	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2255690894	IZSLLXXCQVACSI-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1occc1B(O)O	2255737906	LALWRHKGBSJXJJ-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
C[C@@H](O)C(=O)N1CCCc2cc(B(O)O)ccc21	2256596274	WIQIQVVOSZXVLJ-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
COCCOc1ccnc2ccc(B(O)O)cc12	2257579528	CJOHGUDOGWZPRA-UHFFFAOYSA-N	247.059	-0.060	50	10	BBGE	
C#CC1(NC(=O)c2ccccc2B(O)O)CCC1	2259866453	CMAWRONVHLXFMB-UHFFFAOYSA-N	243.071	-0.348	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298368395	BDFLEZICUNMQPK-HLTSFMKQSA-N	240.112	-0.422	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@H]1B(O)O	2298371707	SJMDQJHFLPVMBY-PRAQBBQZSA-N	239.080	-0.875	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298375325	FOLUUMCWPWFIDC-DFLMOOGLSA-N	241.096	-0.219	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@](C)(B(O)O)C2)no1	2303107901	CDNUILLQRGSNRU-SECBINFHSA-N	239.040	-0.543	50	10	BBGE	
CC(C)(C)NC(=O)CCN1CC[C@@H](B(O)O)C1	2303159193	PGFAWYHZLNMWHH-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CCC1(Oc2cc(B(O)O)c(F)cn2)COC1	2303853953	ZEMKQOGMJLAXKC-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
O=Cc1ccc(N2[C@@H]3COC[C@H]2C3)cc1B(O)O	2317313468	XGZMYUBRYGACNI-PHIMTYICSA-N	247.059	-0.844	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2ccnc2C1	93071958	LANBZOCAPZDJJZ-BDAKNGLRSA-N	237.307	-0.287	50	10	BBGE	
NC[C@H]1CCN([C@H](C(=O)NN)c2ccccc2)C1	110577653	VOHTYEXHVIUELI-PWSUYJOCSA-N	248.330	-0.002	50	10	BBGE	
CCN(CCCO)[C@H](C)CCC(=O)NN	124936690	GGFVIRPYKAAROV-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](NC(=O)NN)C(=O)NC(C)(C)C	162623708	SCZQILUCWMDDGH-RXMQYKEDSA-N	202.258	-0.538	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC[C@@H](N)C1	203223812	OKYQDEJFKRPJGS-SSDOTTSWSA-N	224.264	-0.584	50	10	BBGE	
OB(O)c1ccc(CO[C@@H]2CCOC2)c(F)c1	203528030	JITULSMNPWNNNV-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](N2CCCC2)C1	223087445	YIXOINMJGQQDJM-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CNC(=O)CCN(C)C(=O)NC(=O)[C@@H](C)Cl	234330283	BMIGXSPPRJVAQX-ZCFIWIBFSA-N	249.698	-0.082	50	10	BBGE	
CC[C@]1(O)CCC/C(=N\NC(N)=O)[C@@H]1O	238311031	XLBAMGWFSVVUOJ-AZIKSDGPSA-N	215.253	-0.303	50	10	BBGE	
N#CC1=C(C(=O)NC2CC2)S(=O)(=O)N=C1	260289222	VZOMYBRBBOIGBO-UHFFFAOYSA-N	225.229	-0.543	50	10	BBGE	
NNC(=O)CCN1CCC2(CCOCC2)C1	304409929	PNIZHXVLFKCYCS-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
Nc1cc(B(O)O)c(O)c2sccc12	306699598	DMUOTGZHRXTXSJ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@]1(O)CCC/C(=N\NC(N)=O)[C@@H]1O	306782585	KOLJHRKQGBHBCP-WBHRITSKSA-N	201.226	-0.694	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@](C)(CN)C1	309394079	FXGBTMNBKIHZKI-MWLCHTKSSA-N	228.340	-0.328	50	10	BBGE	
NNC(=O)C(=O)NCCOCC1CCCC1	313456611	BOYJXCGIZLLTPJ-UHFFFAOYSA-N	229.280	-0.701	50	10	BBGE	
COC[C@@]1(C)CCN(CCC(=O)NN)C1	381414376	YSPFXARZQBKYQW-JTQLQIEISA-N	215.297	-0.275	50	10	BBGE	
CN(C(=O)CCCl)c1nnnn1C	382177941	SQTLRWLCIFMQBL-UHFFFAOYSA-N	203.633	-0.198	50	10	BBGE	
NNC(=O)Cc1nc(-c2cccnc2)no1	390226374	CIXXQSJHSXOTJR-UHFFFAOYSA-N	219.204	-0.336	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H](N)C1	395590681	JZDOCDLAIFFWAQ-JGVFFNPUSA-N	214.313	-0.576	50	10	BBGE	
N#Cc1ccc(CCC(=O)O)cc1B(O)O	396092765	BKVBZCXOGOSIOA-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
COCCCCN(C)[C@@H](C)C(=O)NN	397130932	RFJRBFNMMYQJST-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
O=C(CC1CC1)Nc1ccnc(B(O)O)c1	404946296	OJMIHNSOURUCRL-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
Cc1cc(NC(=O)c2cn[nH]c2)ccc1B(O)O	405022574	IANNKBTYDHHSJA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=S(=O)(CCl)N1CCS[C@H](CO)C1	642872963	YDPATYDYVQECNC-LURJTMIESA-N	245.753	-0.078	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1=O	690211061	ILTICPLBMKOHDY-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
C[C@H](CCl)N(C)C(=O)c1nnn(C)n1	697204651	TWSMAPSLFZCHGI-RXMQYKEDSA-N	217.660	-0.091	50	10	BBGE	
O=C(NCB(O)O)C1CCC(F)(F)CC1	701955842	PYQWDVUVJXXAPL-UHFFFAOYSA-N	221.012	-0.060	50	10	BBGE	
CO[C@@H](Cn1nc(C)c(B(O)O)c1C)C1CC1	703693223	CGBISOOLQFWTIW-JTQLQIEISA-N	238.096	-0.395	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C[C@@H]1C	706206902	KASNZWKFNASLCT-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C[C@H](O)C1CC1	708543609	IFQLALGQDCEKGR-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](COC(F)(F)C(=O)NN)OC	709959965	NYADEXOQOAWJOC-RXMQYKEDSA-N	228.195	-0.753	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1ccccc1	716784705	RMVKIHAHQLDRIR-UHFFFAOYSA-N	229.044	-0.424	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)O	721180297	VMBISQAKMINGJO-XLPZGREQSA-N	227.264	-0.175	50	10	BBGE	
O=C(NN=C1CCCOC1)C(=O)N1CCCC1	734748185	KSJLXHKELUKDNU-UHFFFAOYSA-N	239.275	-0.109	50	10	BBGE	
O=C(C=C1CCC1)NNC(=O)[C@H]1COCCO1	755366837	QALUAVJXLOFTPR-SECBINFHSA-N	240.259	-0.341	50	10	BBGE	
CC1(C)CC(CC(=O)NNC(=O)CO)C1	827895534	UWSNDZXSKBRSJI-UHFFFAOYSA-N	214.265	-0.048	50	10	BBGE	
CC(C)OC(=O)NNC(=O)[C@@H]1CCNC(=O)C1	844149443	OVLREMAMOLXVSD-SSDOTTSWSA-N	243.263	-0.322	50	10	BBGE	
C[C@](N)(B(O)O)c1cnn(C2CCC2)c1	885953302	DXSSNXQMRRXQJM-SECBINFHSA-N	209.058	-0.206	50	10	BBGE	
CN1CCC[C@H](C(=O)NNc2ccncn2)C1=O	908551981	XEUQBOVLLRTTMW-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2ncccn2)no1	1130013295	GRHCJUGZYUQFJT-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2cccn2cn1	1161080169	BPLWFAZYHPFBRL-UHFFFAOYSA-N	234.215	-0.912	50	10	BBGE	
COCC#CC(=O)NNC(=O)[C@@H]1CCCS1	1330862313	LTYWKYQADOQOAC-QMMMGPOBSA-N	242.300	-0.321	50	10	BBGE	
COC(=O)C1(C(=O)NNC(C)=O)CC1	1440714357	QBCFPNNCLSOVDJ-UHFFFAOYSA-N	200.194	-0.893	50	10	BBGE	
O=C(NNC(=O)[C@H](O)C1CCC1)NC1CC1	1626790980	SOAMMDGMEQQYBE-MRVPVSSYSA-N	227.264	-0.360	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]1Br	1877356559	RXYHWDFMYCMIAE-GBXIJSLDSA-N	238.110	-0.366	50	10	BBGE	
Cc1nc(CNC(=O)CCl)nn1C	1883042968	BPDBHDKLQSCJNF-UHFFFAOYSA-N	202.645	-0.021	50	10	BBGE	
NNC(=O)NCCn1cc(Br)nn1	1883221363	QQXQUBBFCQDBCY-UHFFFAOYSA-N	249.072	-0.787	50	10	BBGE	
CN(NC(=O)CCCl)S(C)(=O)=O	1888562449	VJSMBVJYTBNTNN-UHFFFAOYSA-N	214.674	-0.462	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)NC1CC1	1888571687	LDFSHFBVTWVQPN-UHFFFAOYSA-N	221.282	-0.356	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2nncs2)C1	1891492600	OZKCRGQRPMLSNV-ZCFIWIBFSA-N	213.071	-0.413	50	10	BBGE	
NCC1(C(=O)NC[C@@H]2C[C@H]2Cl)COC1	1893107298	LMDAYMIWKKNXOH-NKWVEPMBSA-N	218.684	-0.295	50	10	BBGE	
NC[C@](CF)(NC[C@H]1C[C@@H]1Cl)C(=O)O	1893207933	WZPWEUHBAVLKMB-CHKWXVPMSA-N	224.663	-0.045	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1895663405	QMHWXHLRQKFCHI-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
N=c1nc(CCl)nc(N2C[C@@H]3COC[C@@H]32)[nH]1	1896233295	SXWNAIJGENGOPJ-RITPCOANSA-N	241.682	-0.142	50	10	BBGE	
OC[C@@H]1C[C@@H](O)CCN1C[C@H](O)CCl	1899604886	FXALTIROPBUMKK-XHNCKOQMSA-N	223.700	-0.596	50	10	BBGE	
CN(NC(=O)c1cccc(O)n1)S(C)(=O)=O	1901342812	RDEHCXZSVBKMHN-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(C#N)CCC1	1901345899	IICWQHNYNGQBID-UHFFFAOYSA-N	245.304	-0.007	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccccc1B(O)O	1901426779	XONQPCZEOYAORT-VIFPVBQESA-N	223.037	-0.924	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H](F)C1	1905087923	IKGJPYQIKDKPAR-OCAPTIKFSA-N	224.044	-0.079	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@H]2CO3)C1	1908356678	ABZGSAWJRXICKB-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2CCO[C@@H]2C1	1908721422	WQGZTECYJANAOK-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](Cn1cccc([N+](=O)[O-])c1=O)C(=O)NN	1912214523	PXSUXCBXTJWXDN-ZCFIWIBFSA-N	240.219	-0.618	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](O)C12CCC2	1914400056	YVGOWYPTICALTD-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
Cc1csc(=O)n1C[C@@H]1C[C@H]1C(=O)NN	1927911831	RTOXFJNCHPMOAT-NKWVEPMBSA-N	227.289	-0.156	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]21	1928151845	PRFNGDUPZMPORS-GJMOJQLCSA-N	211.265	-0.471	50	10	BBGE	
C[C@@]1(CCl)CN([C@@H]2CNC(=O)C2)C1=O	1931734569	DRBNGIHJHHAFRH-IMTBSYHQSA-N	216.668	-0.038	50	10	BBGE	
CSC1CN(CCOCC(=O)NN)C1	1933241207	OMMJDMNKGYTEGI-UHFFFAOYSA-N	219.310	-0.960	50	10	BBGE	
C[C@@]1(CO)CCCN1CC(F)(F)C(=O)NN	1935940889	GDLYEAKJOMXXRG-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1CC(F)(F)C(=O)NN	1935942462	QQFVADBJVHHZCI-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cc([N+](=O)[O-])cn1	1936081966	BIRFYMXJNBUQKS-VDTYLAMSSA-N	225.208	-0.583	50	10	BBGE	
C[C@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1936086342	UPTVJCNSEORBNH-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
C[C@@H]1OCCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H]1C	1936092615	VYVCAKPXSHWALK-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
CN(CC=O)CC(=O)NNc1ccccn1	1936680445	YMNYLCFUWGUXGE-UHFFFAOYSA-N	222.248	-0.345	50	10	BBGE	
CN(C)[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1Cl	1936885196	KYCBISMUQRVCIS-JGVFFNPUSA-N	244.730	-0.437	50	10	BBGE	
O=C(Cn1cnnc1)N[C@H]1CCOC[C@H]1Cl	1937147071	RWCFGPYMLZJPII-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1938375253	HXOMDIABLHXPSA-BQHMLIOBSA-N	227.308	-0.687	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1944713873	OPLATWKASKGHDB-RKDXNWHRSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCN2CCCC[C@H]1C2	1948620414	MKGDDNGDJAVWPD-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)CC12CCC2	1949817148	KAIQLPHEFSNRKG-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
COC(=O)c1cc([C@H](N)[C@@H](O)C#N)cn1C	1952933713	HGGOOUALGIQVJC-IUCAKERBSA-N	223.232	-0.304	50	10	BBGE	
OCC1(O)CCN(C[C@H](O)CCl)CC1	1956256261	LLDVVWXLUNVMLX-MRVPVSSYSA-N	223.700	-0.595	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@H]2CC[C@H]1O2	1960796121	BAKGGTXKJXZHDW-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
Cn1cc(CN(C(=O)NN)C2CC2)cn1	1961253221	STLKPEFCKYZTJE-UHFFFAOYSA-N	209.253	-0.032	50	10	BBGE	
C[C@@H](Oc1ncncc1B(O)O)C1CC1	1961693653	BEVRPUBJVNNCDF-ZCFIWIBFSA-N	208.026	-0.666	50	10	BBGE	
OB(O)c1csc(OC[C@@H]2CCOC2)n1	1961693933	GTXNHKXDCZBSON-ZCFIWIBFSA-N	229.066	-0.762	50	10	BBGE	
OB(O)c1cnccc1Sc1ncco1	1961710459	PMOHKEOLBLVPJR-UHFFFAOYSA-N	222.034	-0.099	50	10	BBGE	
Cc1cn(-c2ncccc2B(O)O)cn1	1961710579	RVHWXIOYJGVUJE-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
Cc1ncncc1C(=O)N1CCC(B(O)O)CC1	1964500369	JECSOJHYRCQYOW-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@H]1C(F)F	1974583233	HNBPLAKBWKRWCX-WDSKDSINSA-N	223.223	-0.669	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217062	PRXKXVMDPGPUIS-QCLAVDOMSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ccc(B(O)O)cn1	1981429944	JNHNJMLNMPGYNE-VXNVDRBHSA-N	223.037	-0.825	50	10	BBGE	
CCOCCCN(C)c1nc(B(O)O)cs1	1981468593	FGKQLXRCSWZLBW-UHFFFAOYSA-N	244.125	-0.314	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)[C@H]1C[C@@H]1F	1982808656	NICXHVFXVUNQBZ-BQBZGAKWSA-N	243.068	-0.598	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CC(F)(F)C[C@@H]2C1	1985932848	QYZCXPMDCSTYQC-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC2(CSC2)C1	1991326265	FBAAIOOZCNEBOW-UHFFFAOYSA-N	241.121	-0.186	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1991682832	NBMVAVCMPXFYJB-JKUQZMGJSA-N	249.650	-0.254	50	10	BBGE	
COCC(COC)CN(C)[C@@H](C)C(=O)NN	1992712888	IRBLGDGUJGIEFP-QMMMGPOBSA-N	233.312	-0.794	50	10	BBGE	
C[C@@H](CN)[C@@H](F)C(=O)N1CCC(O)(C#N)CC1	1998677103	GMZCZMOYRUPUEU-DTWKUNHWSA-N	243.282	-0.204	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@]2(CCCOC2)C1	2002821554	AXWGRJUFOXOMLR-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
COC[C@]1(C)COCCN1[C@@H](C)CC(=O)NN	2002850397	KXJRRDJZGIEGBG-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1Cc2cnn(C)c2C1	2003028165	TWZUKXKVRSBWDM-VIFPVBQESA-N	237.307	-0.106	50	10	BBGE	
CC1(C)C[C@H](O)CCN1CCOCC(=O)NN	2003752998	GXQSKTOHRWDYMQ-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2004911486	HVEVJUZXYMRVMN-ARHDFHRDSA-N	230.076	-0.394	50	10	BBGE	
C[C@H](CCn1cc(B(O)O)ccc1=O)C(F)F	2008840463	MQBBBRQERWTPDF-SSDOTTSWSA-N	245.034	-0.181	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H]2CC1=O	2008869842	GNNANMNDYKNTEN-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
CCO[C@H]1CC[C@@H](C(=O)NCC#CB(O)O)C1	2021111119	VBHKXBRQJIESSL-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H](C(=O)NCC#CB(O)O)[C@@H]1CCCCO1	2021157855	SBLRTCCFZYWJNF-ZJUUUORDSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2C[C@@H]21	2022196648	PEXPLPCWTGLZFZ-ONGXEEELSA-N	231.060	-0.399	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccccc1B(O)O	2022200561	VNKSWLCTCIWNKA-PRHODGIISA-N	233.076	-0.105	50	10	BBGE	
CC[C@H]1C[C@H]1CN(C)c1ncncc1B(O)O	2022365298	SLQIDZVNQIFXNR-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
COCC1CC(Oc2ccc(B(O)O)cn2)C1	2026330564	DAMZQFDRVOFBLQ-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
Cc1ccc(C#N)c(=O)n1C[C@@H]1C[C@H]1C(=O)NN	2028055035	ZVDGTLMIMLLTMF-VHSXEESVSA-N	246.270	-0.346	50	10	BBGE	
C[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(B(O)O)cn1	2040767001	LTLFJSOQUGOFQV-APPZFPTMSA-N	249.079	-0.469	50	10	BBGE	
COc1c(C=O)cc(C#N)cc1B(O)O	2060189239	BQODOYYNZSXAPL-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
Cc1cc(B(O)O)cc([N+](=O)[O-])c1C=O	2060282069	BXMDFHSWUXBYSY-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cccc(B(O)O)c1	2079008042	DEEREOKJCZZBGO-GDGBQDQQSA-N	247.103	-0.002	50	10	BBGE	
Cc1ncnc(N2C[C@H]3[C@H](C)C[C@H]3C2)c1B(O)O	2085518381	FBTMILSBVFBUES-JEZHCXPESA-N	247.107	-0.443	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1CC[C@H]1C(=O)NN	2211839676	XTEDBBHQUMSIRU-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCC1CN(c2nccc(B(O)O)c2F)C1	2212602936	AVBQZXVOJKEPEO-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
C=CC[C@@H](CO)Nc1ncccc1B(O)O	2212605578	HGZQVVQAEGMKMM-QMMMGPOBSA-N	222.053	-0.890	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)C1(N)CC1	2212605989	MTBBXQTZNIQLTA-SSDOTTSWSA-N	222.053	-0.980	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CC=CC1	2212610996	SLVUJEJTCLAQAB-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1cc(B(O)O)ccn1	2212614410	CSQANQNGKPZFIN-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
CC(C)(CCN1C[C@@H](F)C[C@@H](O)C1)C(=O)NN	2213884882	VQBVOWMMWOJVLT-DTWKUNHWSA-N	247.314	-0.203	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H](CCO)C1	2215774832	YHOOEJJLTNYIAG-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCC(CO)CC1	2215776976	PVXTWVSNQVUFKD-GHMZBOCLSA-N	241.335	-0.293	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C1(CCO)CC1	2216487528	MDUKVCMNZPTMJW-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
CNC(=O)CCN(C)CC1(C(=O)NN)CCC1	2216528286	NGJBXORINLQVGP-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CCN(C[C@H](C)N)c1nccc(B(O)O)c1F	2217181175	NSIJIIVSEDDVGT-ZETCQYMHSA-N	241.075	-0.926	50	10	BBGE	
N[C@H]1CC[C@H](Oc2ccc(B(O)O)cn2)CC1	2217182238	AYHPQVRERFTTES-MGCOHNPYSA-N	236.080	-0.590	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncc[nH]1	2217199300	BNQIMUCMPBZSLN-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CO[C@H]2C[C@@H]1C2	2223632972	QFRFWJWGGJBQEM-BBBLOLIVSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3CNC[C@H]32)cc1B(O)O	2223642031	FJHNBXKPYOFJSC-FXPVBKGRSA-N	247.107	-0.910	50	10	BBGE	
Cc1cnc(N(CCN)CC2CC2)cc1B(O)O	2223650978	UDMXBQPWEWKWIM-UHFFFAOYSA-N	249.123	-0.755	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@]21COc1cc(B(O)O)ccn1	2223652208	CTPCRXCUPNOZTG-XRNSZHNASA-N	248.091	-0.732	50	10	BBGE	
Cc1cnc(NC[C@H]2CNC[C@H]2C)cc1B(O)O	2223654121	XEKSKTXWFAXHNY-PSASIEDQSA-N	249.123	-0.663	50	10	BBGE	
CC[C@]1(N)CCCN(c2cc(B(O)O)ccn2)C1	2223666681	KMZWYVSHVCLLTH-LBPRGKRZSA-N	249.123	-0.531	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCCC12CNC2	2223676050	VPWUIHANIVZKIT-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
NC[C@@H]1CO[C@H]2CN(C(=O)F)C[C@@H]2O1	2241301061	RGUPSPMZEYXDNA-VQVTYTSYSA-N	204.201	-0.497	50	10	BBGE	
C=C=CCCNC(=O)c1coc(B(O)O)c1	2243347441	LTNNBBUYQNWXMO-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243362997	ZQASIDMNZHEVBM-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CCOCC1	2243364021	PWARMHJGLOXHOL-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243364838	DBCCSTFMSYGQHF-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
CN(CC1=CCSC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243390770	BBNPVBFECMOWCI-IUCAKERBSA-N	241.121	-0.019	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)C#CB(O)O	2243399623	OGYJTRYSSDLYPZ-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CC(C)CONC(=O)c1cc(B(O)O)c[nH]1	2243401876	YJGFHTIOWRNSTK-UHFFFAOYSA-N	226.041	-0.988	50	10	BBGE	
CON(C(=O)c1ccc(B(O)O)s1)C(C)C	2243407789	ZYNWVIRAWXBTOW-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
CC1(C)CN(C(=O)c2coc(B(O)O)c2)C1	2243407840	APNNSCHQIAIWEA-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
CON(C)C(=O)c1cc(F)ccc1B(O)O	2243408137	HVQASNWXVVHMIG-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
CC[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2243408857	WQTZBAIXRMBBDH-ZETCQYMHSA-N	224.069	-0.767	50	10	BBGE	
CO[C@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2243409268	FCQBHRCCCUXJJU-QMMMGPOBSA-N	225.053	-0.593	50	10	BBGE	
O=C(NCCC1(CO)CC1)C1(B(O)O)CC1	2243411756	ZOIGFCDTZSXMQI-UHFFFAOYSA-N	227.069	-0.728	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]1CF	2244215018	AKQRXDIALQBJHD-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2C[C@H]2C1	2244218899	BTHBAKUZWVXUGC-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
N[C@@H]1CC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2244732571	HZGBDBMDWVPVEO-RBXMUDONSA-N	226.085	-0.907	50	10	BBGE	
NC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913288	OYAANISXIVZSKJ-XRGYYRRGSA-N	241.487	-0.826	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C1CCC1	2247721963	JOGPDDQERVXTRY-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1ccc(B(O)O)o1	2247737709	IUOWFXCBWQUESV-MRVPVSSYSA-N	235.048	-0.345	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1(C)CCC1	2247740766	PELSTUXQVFXYFR-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)C1(B(O)O)CC1	2247750655	MMVDLFHDSLQTJV-GJMOJQLCSA-N	245.059	-0.781	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCOCC1	2247798055	PSEZOIAEKQNZSS-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC(F)(F)C1	2247803867	DJZGKOJKTYQMIQ-UHFFFAOYSA-N	249.022	-0.309	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2247805057	AOSVZGKKIQHMKY-RBXMUDONSA-N	239.080	-0.731	50	10	BBGE	
CC1CC(N(C)C(=O)c2ccc(B(O)O)o2)C1	2247849651	CRXQWZPSGYSCOW-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
C=C1CC(N(C)C(=O)c2ccoc2B(O)O)C1	2247868144	CZLZALPMWFYXDN-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CO	2247898096	AJUCCGCEVGXRMF-ZYUZMQFOSA-N	241.096	-0.674	50	10	BBGE	
C#C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902476	FXAYTHORZWWZAG-AEJSXWLSSA-N	237.064	-0.900	50	10	BBGE	
CC1(C)CN[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247903370	JVSKIUNTTKSXEH-AMDVSUOASA-N	240.112	-0.646	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CC=CC1	2248401904	PKEZHADQIWIWEA-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
CC1(C(=O)O)CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248569612	RHTIRIUGDWUWEF-PTBZLCQFSA-N	241.052	-0.781	50	10	BBGE	
CN(Cc1ccnnc1)CC(F)(F)C(=O)NN	2251560604	LWCJNHUCUUKKES-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
C#CCCCCNC(=O)c1cc(B(O)O)oc1C	2255450669	YVARHWIOEBXGAD-UHFFFAOYSA-N	249.075	-0.199	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@H]2C[C@@H]21	2255453494	QMDHRBMHESNTPG-WPRPVWTQSA-N	249.075	-0.108	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1ccc(B(O)O)o1	2255460663	WSZQCQGVDONINR-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
O=C(Nn1cccc1)c1cccc(B(O)O)c1F	2255498700	URGLPLALDQHLBK-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2255516170	INUQZSCHSYRFGZ-WPRPVWTQSA-N	248.091	-0.464	50	10	BBGE	
C=C[C@H]1CCCCN1C(=O)c1cc(B(O)O)n[nH]1	2255548057	KGZLMWWMZXZSAI-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255554138	ISAPOMSBJKFIPI-FXQIFTODSA-N	249.079	-0.992	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)oc1C)C1CC1	2255719734	MWMMVJXCZDBPFQ-UHFFFAOYSA-N	247.059	-0.494	50	10	BBGE	
C#CCCCNC(=O)c1ccc(B(O)O)cc1F	2255720935	XJJMRSMODRSTTG-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ncncc1B(O)O	2255730023	FCORQEAKGVKNLL-APPZFPTMSA-N	249.079	-0.973	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1[C@H]2CCC[C@@H]1CC2	2255765341	OQSCCUJKJPJWNV-OCAPTIKFSA-N	249.079	-0.753	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1ccc(B(O)O)cc1	2255894237	ZGKRVYPMYPOCSB-SNVBAGLBSA-N	246.075	-0.100	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369934	JJWZSRMMMDHCRL-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370059	NFLLFDQRRRYNEX-SDNRWEOFSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2COCC[C@H]21	2298371111	AEEXXYKWBBKPQI-ZYUZMQFOSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2298377457	RTHWQQORZAKWPR-VVULQXIFSA-N	238.096	-0.894	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299935626	YFHZSMNWUMODJI-SDNRWEOFSA-N	241.096	-0.389	50	10	BBGE	
CC(=O)N(C)CCN(C)C[C@H]1C[C@H]1C(=O)NN	2301395180	KDBGMPJLVXAVQN-NXEZZACHSA-N	242.323	-0.978	50	10	BBGE	
CC(C)=C(CN1CC(n2ccnn2)C1)B(O)O	2301961317	JNZWQZCRKMAJIJ-UHFFFAOYSA-N	236.084	-0.517	50	10	BBGE	
CCCNC(=O)[C@@H](C)N1CC[C@](C)(B(O)O)C1	2303131845	CZAXOPRTKSYHRC-KOLCDFICSA-N	242.128	-0.160	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC2(O)CCOCC2)C1	2303134715	VPMVWQCWCDTPJG-SNVBAGLBSA-N	243.112	-0.533	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@@H]2CC[C@H]1C2	2311430562	FLRGZJHWZZMLOK-ZJUUUORDSA-N	245.087	-0.009	50	10	BBGE	
C[C@H]1C[C@H](N)CN1c1ccc(B(O)O)cc1C#N	2317163242	WSGMFIHFMSAOMZ-KWQFWETISA-N	245.091	-0.836	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)ccc2=O)CC=CCO1	2317525175	IRAJMJVNWCGPBV-GFCCVEGCSA-N	249.075	-0.737	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nnc3cccnn23)C1	2319749506	LKVQNFCYFJLFTH-QMMMGPOBSA-N	247.067	-0.827	50	10	BBGE	
NC(=O)N/N=C/c1cc(O)c([N+](=O)[O-])o1	3646476	IZMLEVZCDFBHLC-KRXBUXKQSA-N	214.137	-0.104	50	10	BBGE	
CCOC(=O)/C(C#N)=C/NN1CCOCC1	82292416	FENBQMFXDFCAOB-CMDGGOBGSA-N	225.248	-0.206	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(CO)CC1	82465780	CEFWKHRLFZXSAJ-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CCN([C@@H](C)COC)[C@@H](C)C(=O)NN	82469478	IVMKEWXYZXUNTC-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)CCCn1cnc([N+](=O)[O-])c1	82471295	WAOXWRUFFGNOTB-UHFFFAOYSA-N	213.197	-0.439	50	10	BBGE	
CCOC(=O)CSCCC(=O)NN	82472465	VDJQHLQWYBPCFV-UHFFFAOYSA-N	206.267	-0.337	50	10	BBGE	
CCN(CCCO)[C@@H](C(=O)NN)C(C)C	124934024	FRAQZHSXZAASCD-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C(C)(C)CO	134190653	YYQMOLRKBXCGNK-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
CCOC(=O)/N=C(/N)NC(=O)N(C)N=O	163979202	ZHTODXKIYAYWRQ-UHFFFAOYSA-N	217.185	-0.220	50	10	BBGE	
N[C@@H](CBr)P(=O)(O)O	196891730	VEJWWQXJXNFUNB-UWTATZPHSA-N	203.960	-0.156	50	10	BBGE	
O=C1NCC[C@H]1N1CC[C@H](Br)C1=O	217397746	ONMHPWNVWSUAPS-NTSWFWBYSA-N	247.092	-0.129	50	10	BBGE	
NNC(=S)NNC(=O)CCc1ccccc1	220810671	MUBLXSBGBOZKRU-UHFFFAOYSA-N	238.316	-0.012	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](C(=O)NC)C1	232300918	SMZKXGNXYGQWTG-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](C(=O)NN)n1nc(C)c(C)c1C	232421057	ZBBNZRDQTWTNDH-VIFPVBQESA-N	226.280	-0.014	50	10	BBGE	
NS(=O)(=O)CCNc1nnc(CCl)o1	236297483	OLUYLTGEYJHYFB-UHFFFAOYSA-N	240.672	-0.491	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@@H]1O	253194649	PNNBWNWPBOETQI-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)CC[C@H]1O	253203316	VDAYTFDQGKFVKC-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CNNC(=O)COC[C@H]1CCCN(C)C1	258937111	BUAWRSXARUCLGC-VIFPVBQESA-N	215.297	-0.405	50	10	BBGE	
O=S(=O)(CBr)N[C@@H]1C[C@H]1CO	307735895	YWBDBWJZZBYDLA-CRCLSJGQSA-N	244.110	-0.361	50	10	BBGE	
OB(O)c1cc(F)cc([C@H]2CCCNC2)c1	309198390	VYVUOFVQUHSTEM-QMMMGPOBSA-N	223.056	-0.028	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@]12CCOC2	310508224	LAEOSFKKJCQOEV-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](CO)CC1	378816940	CGFNFDAVZSDCJP-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
CC(=O)NNS(=O)(=O)CCC1CC1	379398659	XOCMRTNPSDAGHR-UHFFFAOYSA-N	206.267	-0.243	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCCn1cncn1	381886753	IVFAPAGVEWMFME-LURJTMIESA-N	245.670	-0.269	50	10	BBGE	
C[C@H]1CCC(=O)N1Cc1nc(C(=O)NN)co1	386736001	DALVMJDVVQVXLR-LURJTMIESA-N	238.247	-0.211	50	10	BBGE	
O=C(O)CCc1cccc(B(O)O)c1O	396054621	JLVDGMVHRQMSET-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1nnn(C)n1	398072034	KFWOKNVVVBRYOB-BYPYZUCNSA-N	246.658	-0.837	50	10	BBGE	
C[C@@H]1COCCCN1Cc1cccc(B(O)O)c1	398959171	XUWORMSOBSMBJK-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CN1CCN(C2CC2)C[C@H]1C)C(=O)NN	402796500	VJFDUFOPCQHKGY-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cnccn1	404970611	OZCAALFKAABQMY-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)OC(C)(C)C	495508369	FOUKDNWWTMOMDT-UHFFFAOYSA-N	231.252	-0.322	50	10	BBGE	
O=C(CBr)N[C@@H]1CCNC1=O	575525077	ZKHOFPMLNKRBNC-SCSAIBSYSA-N	221.054	-0.614	50	10	BBGE	
CN(C[C@H](CCl)O[N+](=O)[O-])[N+](=O)[O-]	687812149	YDUGWBDQDGGQJO-BYPYZUCNSA-N	213.577	-0.074	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)CC(=O)NN)CO1	688489942	YDXBWVRSVCIBSI-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690154483	FLYRGORYXBOODF-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCN(C)S(C)(=O)=O	692465767	RHXYGDMQTIDVKJ-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2(COC2)C1	697144397	PBCWVNBMAFGECQ-QMMMGPOBSA-N	227.308	-0.277	50	10	BBGE	
COCCN(CCCl)Cc1nnnn1C	697710444	CHJYXLXQJGCVCZ-UHFFFAOYSA-N	233.703	-0.103	50	10	BBGE	
C[C@@H]1CCCN(C(=O)NCB(O)O)C1	701938760	JYQMSXSABXVUQB-SSDOTTSWSA-N	200.047	-0.560	50	10	BBGE	
CC1(O)CN(Cc2cc(C(=O)NN)cs2)C1	711184915	LMBDPJHZGSGCNU-UHFFFAOYSA-N	241.316	-0.082	50	10	BBGE	
CCCNC(=O)N1Cc2cccc(B(O)O)c2C1	713272126	WWSOBRMSIIBCIS-UHFFFAOYSA-N	248.091	-0.198	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	713753764	FHBZMYQLKROENU-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H](F)[C@H](F)C2)n1	714562311	YQHWUGBXXUCRGU-PHDIDXHHSA-N	246.217	-0.230	50	10	BBGE	
C[C@H](C(=O)NNC(N)=O)[C@H]1CCCO1	720572469	RYUQSUVSPMVRGX-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NN(C)[C@H](C)CO	823384157	CYQCWQUVGSUWOC-BWZBUEFSSA-N	202.254	-0.635	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)C1CCC1)NC(N)=O	1118311722	IPAWQTTYUAVBBZ-ZCFIWIBFSA-N	242.279	-0.619	50	10	BBGE	
Cn1ncc(C2CCC2)c1C=NNC(=O)C(N)=O	1118523689	JEGVFZWFAGEDKH-UHFFFAOYSA-N	249.274	-0.377	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C)nnc1C	1135818635	WLOHSPFGPGCLCA-UHFFFAOYSA-N	208.221	-0.126	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)[C@@H](O)C1CC1	1328762772	PHHGRKPNDSSHRU-NSHDSACASA-N	249.270	-0.458	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cn(C)c(O)n1	1347380949	QIHSTYNVVXSLGF-UHFFFAOYSA-N	241.251	-0.520	50	10	BBGE	
CNC(=O)NNC(=O)c1nc2ncc(C)cn2n1	1542262596	POULDXFOGBNEJO-UHFFFAOYSA-N	249.234	-0.993	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1542415217	RMQVKHWEFGAGMT-XLPZGREQSA-N	239.275	-0.096	50	10	BBGE	
CN(NC(=O)c1cnc2cccnn12)C(N)=O	1545887706	NEGVFJALBYKJFQ-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C(N)=O)C1	1684051901	ZPOPDWAUTLVKJY-IZLXSQMJSA-N	244.251	-0.837	50	10	BBGE	
NC1(C(=O)N[C@H]2C[C@@H](Br)C2)COC1	1882560757	KMFFDEHCQAFOAL-OLQVQODUSA-N	249.108	-0.244	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CP(C)(C)=O	1883764016	MLVOMUONFDHAPH-ZCFIWIBFSA-N	207.214	-0.123	50	10	BBGE	
CS(=O)(=O)C[C@H](N)C(=O)CBr	1886377575	GDBBZUMFGVOTRP-BYPYZUCNSA-N	244.110	-0.678	50	10	BBGE	
CN1CCN(C(=O)F)C[C@H]1C(=N)NO	1887186496	NYLMWEKECYOAFX-YFKPBYRVSA-N	204.205	-0.352	50	10	BBGE	
CN(N)C(=O)[C@H]1COC2(CCC2)CO1	1888220387	YVSFRRYRNGWLJU-SSDOTTSWSA-N	200.238	-0.343	50	10	BBGE	
O=S(=O)(CCOCCCl)NOCCO	1889188511	YOLBJZHJFBTZRV-UHFFFAOYSA-N	247.700	-0.915	50	10	BBGE	
O[C@H](CCl)CN1CCO[C@H]2COC[C@@H]21	1889523914	SEUCJIZKJQGFHD-VGMNWLOBSA-N	221.684	-0.314	50	10	BBGE	
C[C@@H](CCCl)NC(=O)Cn1cnnn1	1892819047	ILIDXZVIPDOCNV-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
CONCCCNC(=O)C=CC(=O)Cl	1893410814	OGRGXFLCNMOXQB-UHFFFAOYSA-N	220.656	-0.035	50	10	BBGE	
O=C(NC[C@@H]1COCCN1)[C@@H]1C[C@H]1Cl	1893453177	LBFBLPPOBDLXMO-BWZBUEFSSA-N	218.684	-0.282	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	1896799657	XTOHIFLWDYPAOI-HTQZYQBOSA-N	221.069	-0.751	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)N1CC[C@H]1C	1899939013	MVLQGMOQNPUOJW-RXMQYKEDSA-N	240.093	-0.634	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cnsc1B(O)O	1900451249	MKUOOWKXOJNGHG-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C=CC(C)(C)N	1901375387	LDVZHIBHWAGNGH-UHFFFAOYSA-N	249.336	-0.407	50	10	BBGE	
CO[C@@H](CN)C(=O)N1CC=C(C#N)CC1	1917110814	VQMWIAJAAXYZJE-VIFPVBQESA-N	209.249	-0.358	50	10	BBGE	
CNC(=O)[C@@H](C)NNC(=O)C(F)(F)F	1923394583	VNYIYKRVPRAYKJ-GSVOUGTGSA-N	213.159	-0.696	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@@H]1CCCO1	1927814928	QZXWKANRGDPNAE-LURJTMIESA-N	224.207	-0.193	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)C[C@H]1C	1929940321	YMUMRYXOBSHLHA-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1CO	1936078646	BHIAOHDJCVOROS-RGOKHQFPSA-N	227.308	-0.827	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@H](C1)C2(F)F	1936089498	CVPZXZZMXRYLCW-YWIQKCBGSA-N	231.246	-0.191	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@@H]1F	1937153034	IEHZSIFERFZBOV-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
CCn1nnnc1CN[C@@H]1CN(C)C[C@@H]1Cl	1937191353	SWFBAXWHYMMQSG-JGVFFNPUSA-N	244.730	-0.296	50	10	BBGE	
CC1(C)[C@H]2C[C@H](CNC(=O)C(=O)NN)C[C@H]21	1937527838	HHSJNPMGBANTAE-WHUPJOBBSA-N	225.292	-0.225	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)C1(C)C	1939566282	INTSQLFFCYUVGT-RQJHMYQMSA-N	229.280	-0.752	50	10	BBGE	
C[C@@H](CN(C)CCc1ncccn1)C(=O)NN	1943085544	XHUXDVQJJFWFQJ-VIFPVBQESA-N	237.307	-0.423	50	10	BBGE	
CC[C@@]1(C)CN(CCOCC(=O)NN)CCO1	1947270020	BEVKBLCUOHWGIQ-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
ClC[C@@H]1C[C@@H]1NCCn1cnnn1	1954307347	BTRXKOVOTPBNGZ-BQBZGAKWSA-N	201.661	-0.110	50	10	BBGE	
CC[C@H](Cl)C(=O)NCc1nn[nH]n1	1954505468	GJGMTACGMYFLGZ-BYPYZUCNSA-N	203.633	-0.167	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1C[C@H](O)C[C@@H]1O	1956248620	OXTXWMAQYCVURY-CWKFCGSDSA-N	221.684	-0.138	50	10	BBGE	
Cn1ccnc1SCCNC(=O)NN	1956265051	LDZMMHBPKSMBMH-UHFFFAOYSA-N	215.282	-0.315	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnsn1	1956423723	FAYLDSISJWFVCE-YFKPBYRVSA-N	215.282	-0.652	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)[C@H]2CC[C@H]2N1	1956629972	STYUSLBHLSNPJC-PRJMDXOYSA-N	218.684	-0.451	50	10	BBGE	
COc1nc(C(=O)NNC(N)=S)co1	1956982383	LAWRXHNGZHHWRX-UHFFFAOYSA-N	216.222	-0.839	50	10	BBGE	
C=CC1(Cn2ccc(B(O)O)n2)CCC1	1960778358	DPPQJCMYRRAHAX-UHFFFAOYSA-N	206.054	-0.081	50	10	BBGE	
C[C@H](CN1CC[C@H]2C[C@]2(O)C1)C(=O)NN	1961406910	PEKFXUDQVGLIKU-WEDXCCLWSA-N	213.281	-0.931	50	10	BBGE	
Cc1cc(O[C@H]2C[C@H]2C)ncc1B(O)O	1961696328	PILCKNBIZFCDMW-APPZFPTMSA-N	207.038	-0.143	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(CF)C2)O1	1976239277	HDIHLYTXZDEEJW-DTWKUNHWSA-N	231.271	-0.575	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]1c1ncon1	1976760558	IKXBRFFONZTVJJ-RQJHMYQMSA-N	225.252	-0.415	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC([C@H](F)CO)CC1	1977993757	KSCSJTODLZFBPG-IONNQARKSA-N	233.287	-0.593	50	10	BBGE	
Cn1nccc1[C@@H]1CCCN1CC(=O)NN	1981087892	FLYUOPXUSFCCIU-VIFPVBQESA-N	223.280	-0.453	50	10	BBGE	
NNC(=O)N1CCO[C@@H](C2CCOCC2)C1	1981088905	OPEFICVDMYQPSU-SECBINFHSA-N	229.280	-0.303	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1	1986840846	NASWMPLSPLMEKX-BWZBUEFSSA-N	246.694	-0.270	50	10	BBGE	
CC(C)C(=O)N[C@@H](C)c1nscc1B(O)O	1987174803	JHCTWOQWIPMLTA-LURJTMIESA-N	242.109	-0.344	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCN(C)C(=O)C(=O)NN	1991025270	IIQFGOBASLGZGY-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
Cn1nnnc1CCNC(=O)C=CC(=O)Cl	1991651775	KHHJDRFIOQMAKC-UHFFFAOYSA-N	243.654	-0.810	50	10	BBGE	
C=C(COC[C@H]1OCCOC1(C)C)B(O)O	1992158919	DYHQDXUUVCLFDK-SECBINFHSA-N	230.069	-0.235	50	10	BBGE	
C=C(CN1CCC[C@@H](CN(C)C)C1)B(O)O	1992166862	ABNJDJWEHWGNJT-NSHDSACASA-N	226.129	-0.172	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	1992535289	HDOBCAGGXXTMSH-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@]2(CO)CCC[C@H]12	2000944581	PRQUMFLSIRKSTQ-SCVCMEIPSA-N	241.335	-0.008	50	10	BBGE	
COc1cc(CNC(=O)C(=O)NN)cc(C)n1	2001994545	URUPWJYCEIDGNA-UHFFFAOYSA-N	238.247	-0.995	50	10	BBGE	
C[C@H]1CN(Cc2nn(C)cc2C(=O)NN)[C@@H]1C	2003506618	XGTHWVDCIRTOEW-JGVFFNPUSA-N	237.307	-0.136	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)CC12CCC2)C(=O)NN	2003751942	BKNUFIMBUNPOIJ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@H]1CCN1c1nc(C)ncc1B(O)O	2005017449	FJVULMUAKBOYJS-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1[C@H]2COC[C@H]12	2006198808	MVHGBCUYRPJHKN-FBIMIBRVSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](O)CN(C)Cc1ccc(C(=O)NN)nc1	2007740492	ITRTVYVZOFMGEI-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
COc1cccc(CN(C)CCC(=O)NN)n1	2010861256	ZZOPMAXCMFQQTB-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
Cc1nc(OC[C@H]2CC2(C)C)ncc1B(O)O	2021269492	FWRWCVWNPMWNMX-MRVPVSSYSA-N	236.080	-0.110	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCC1COCCOC1	2024300364	PPLCMXCRNCQVTL-VIFPVBQESA-N	246.307	-0.175	50	10	BBGE	
OB(O)c1cnn(CC[C@H]2CN3CCC2CC3)c1	2033953534	VUGUELWZLSYQMV-NSHDSACASA-N	249.123	-0.705	50	10	BBGE	
Cc1cc(N(C)c2ccnn2C)ncc1B(O)O	2052796174	VJTWVKHASPJIAJ-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
CC=C[C@@H](O)C(=O)NN(C)C[C@@H](C)O	2059304546	AHIHLFYYTVTRGR-HTQZYQBOSA-N	202.254	-0.733	50	10	BBGE	
Cc1cc(N2C[C@H]3COCC[C@@H]32)ncc1B(O)O	2073042956	KOMRLHLYWPFQIV-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
Cn1cc(CC(=O)N[C@@H]2CCC=C2B(O)O)cn1	2076081476	JGTSVQUSSSWTHQ-SNVBAGLBSA-N	249.079	-0.820	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2ccccc2B(O)O)C1	2079008465	JYWQACGFMXKEHG-AOOOYVTPSA-N	243.071	-0.492	50	10	BBGE	
C[C@]1(COCCCC(=O)NN)COCCO1	2211982845	NHUHGYHMCHQRFL-JTQLQIEISA-N	232.280	-0.421	50	10	BBGE	
C[C@H](CO)CN(C)CC1(C(=O)NN)CCC1	2212266886	RQJJCFZFMKFFJJ-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1CSC[C@@H]1Nc1ccc(B(O)O)cn1	2212602822	KGZABGVFZDHJDY-CBAPKCEASA-N	238.121	-0.075	50	10	BBGE	
CC1=C(C)CN(c2ncccc2B(O)O)C1	2212613806	YRJCWYSRRLKAMQ-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC(C)=C(F)Cn1cc(B(O)O)cnc1=O	2212716485	CNLYQTHFZLYJTI-UHFFFAOYSA-N	226.016	-0.814	50	10	BBGE	
CN(C[C@@H](F)C1CCOCC1)C(=O)C(=O)NN	2216387120	RJLRYMOJYCXHIN-MRVPVSSYSA-N	247.270	-0.801	50	10	BBGE	
CC1=C(C)CN(c2ncc(B(O)O)cn2)CC1	2217174973	BGVUZIWOQFDCSW-UHFFFAOYSA-N	233.080	-0.297	50	10	BBGE	
CCC1(N)CC(Nc2ncccc2B(O)O)C1	2217176617	YSVSKLFHSMOZTA-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3OCC[C@@H]32)c1F	2217182630	FSMUAPJETXORIZ-CGMLFGJQSA-N	238.027	-0.900	50	10	BBGE	
C[C@@H]1CCN[C@@H]1COc1ncccc1B(O)O	2217182826	CXITZUNHDCHKRQ-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N[C@H](CN)C(C)C)cc1B(O)O	2217183818	LBXNMBOQYNCJIK-SNVBAGLBSA-N	237.112	-0.535	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCNC23CC3)c1	2217198726	FLIRELXUNOLRKL-SECBINFHSA-N	233.080	-0.932	50	10	BBGE	
CC(C)[C@H](CCO)Nc1ncccc1B(O)O	2217203104	PROGRIVAEVYPNZ-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
C[C@@H]1OCC[C@H]1CNc1cc(B(O)O)ccn1	2217203981	CPRQGLIQTLSBNW-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC12CCC2	2217409886	YHFZHMYHNAAHOT-QMMMGPOBSA-N	234.064	-0.887	50	10	BBGE	
NNC(=O)C1(CN2CCn3nccc3C2)CCC1	2222614182	BFUFJUXKZADPMO-UHFFFAOYSA-N	249.318	-0.141	50	10	BBGE	
NCC[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2223633784	BAWXOEILRRRJCB-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
COCC1=CCN(c2ccc(B(O)O)cn2)CC1	2223640589	XJMIBWFLZXQWPN-UHFFFAOYSA-N	248.091	-0.456	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1N(C)C	2223673590	GMWKTQPDOUOQNL-ONGXEEELSA-N	249.123	-0.852	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC[C@H]3C[C@@H]23)[nH]c1	2223678220	YSOCFXHHNPRARO-QXEWZRGKSA-N	247.107	-0.574	50	10	BBGE	
O=C(CCl)[C@@H]1CO[C@H]2CNC[C@H]2O1	2241258727	HBXOVWYHXJEMHK-RNJXMRFFSA-N	205.641	-0.450	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C#CB(O)O)CS1	2241468605	RAWZOAWRBIZXDK-BQBZGAKWSA-N	213.067	-0.988	50	10	BBGE	
O=S(=O)(CCCl)NCC1(O)CSC1	2241486903	BPRDRWODCOVWJC-UHFFFAOYSA-N	245.753	-0.378	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)C#CB(O)O)C1CC1	2243348960	CPGCQURRQQCAEZ-SNVBAGLBSA-N	223.081	-0.057	50	10	BBGE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CB(O)O	2243357248	UAPCZBKMDIUTNX-ILWJIGKKSA-N	221.065	-0.209	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1sncc1B(O)O	2243377720	FYMVEFWAXOQVHK-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
C[C@]1(CCNC(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243396677	PLPNETJLLOOVTG-NRPADANISA-N	226.085	-0.892	50	10	BBGE	
CC[C@]1(NC(=O)C2(B(O)O)CC2)CCNC1	2243398686	SHHICDQXMLQFRJ-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
CP(C)(=O)CNC(=O)c1ccc(B(O)O)o1	2243404428	NYTMFSKQTCCCNH-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
CON(C(=O)C#CB(O)O)C1CCCCC1	2243404635	RKUAFOFIZKJTJL-UHFFFAOYSA-N	225.053	-0.276	50	10	BBGE	
Cc1nc(NC(=O)C2CC(B(O)O)C2)no1	2243413294	CWXCEJRJAXNIJM-UHFFFAOYSA-N	225.013	-0.430	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@H]1CF	2243420146	NHXURPLSYYTXJU-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
C=C(CS(=O)(=O)N1[C@H]2CCC[C@H]1C2)B(O)O	2243434364	XOAQFZCISSNVON-IUCAKERBSA-N	245.109	-0.489	50	10	BBGE	
CC(C)NC(=O)c1cc(B(O)O)ccc1O	2243477309	GHZZHIZDFZUKGI-UHFFFAOYSA-N	223.037	-0.790	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2244549502	DRPLTBCIIHCUFO-AEJSXWLSSA-N	221.065	-0.446	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	2245140359	RERXJFGWSSSBMF-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
O=C(Nc1cncnc1)c1cscc1B(O)O	2247734526	HVYSSYLPDIAEPS-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)(CNC(=O)C#CB(O)O)[C@H]1CCCO1	2247739246	ZHYANONZERZFLE-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1O[C@H]2CC[C@H]1C2	2247741475	ANKKZMYKKFGVIC-BQBZGAKWSA-N	237.020	-0.732	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1ccoc1B(O)O	2247743635	GXTSQJWCLFXGOW-YFKPBYRVSA-N	244.990	-0.656	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2247744854	YVBOIOBHIXHRTP-MVCUBJFGSA-N	233.076	-0.495	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)o1)C(C)C	2247747163	JVVPWRURLORFIX-UHFFFAOYSA-N	235.048	-0.557	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1cc(B(O)O)c[nH]1	2247748113	XXAXYLVKFACLQX-NKWVEPMBSA-N	240.043	-0.970	50	10	BBGE	
O=C(N1CCO[C@@H](C2CC2)C1)C1(B(O)O)CC1	2247750369	IMGUFDMYLHWSRD-SECBINFHSA-N	239.080	-0.369	50	10	BBGE	
O=C(N1CCC[C@@H]1CCCO)C1(B(O)O)CC1	2247755586	KLKCPNGRQTWUOK-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2247758834	XSPYSOKBCRDSOZ-RKDXNWHRSA-N	241.096	-0.389	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccc(B(O)O)cn1	2247771908	ZBRDCWCMEUDPJK-QMMMGPOBSA-N	234.064	-0.687	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cncc(B(O)O)c1	2247771990	OTYYGKPJVBTEOW-ZETCQYMHSA-N	240.043	-0.761	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2247787834	VOZLZVOUJRFZGB-DTORHVGOSA-N	240.112	-0.515	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@H]1B(O)O	2247791023	KSUYDBZOVPICQJ-CVPUBMOQSA-N	238.096	-0.752	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN2CCC1CC2	2247803469	BJFAPDOXRTTWSA-NXEZZACHSA-N	238.096	-0.844	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2cccnc21	2247810677	ZIKLPDDWSGJYRR-IUCAKERBSA-N	232.048	-0.166	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1ccoc1B(O)O	2247867171	ZVVBNELZRUIVAS-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCCOC1	2247871620	FEQXATVGVPNXER-SNVBAGLBSA-N	241.096	-0.074	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccncc1B(O)O	2247873883	NGFGDOIDRTUGKC-MRVPVSSYSA-N	232.048	-0.790	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CCC2)CCOC1	2247873888	GTTCNAGUMHIAFK-SNVBAGLBSA-N	241.096	-0.074	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CC[C@@H]21	2247875168	WJAQJGAWWINWHT-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CCC2)o1	2247877319	GFGOKJOELTXQRL-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247887507	OUYVDGWNKWGKKA-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
C=CCCNC(=O)c1nccc(C)c1B(O)O	2247890202	IOLBZIMNTVNDGZ-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247892742	GZWFFGOFOSPZBS-NFTFJBJSSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@H]1CCN1C1CC1)[C@@H]1C[C@H]1B(O)O	2247899972	RWQTVCACLFCLLI-IVZWLZJFSA-N	238.096	-0.798	50	10	BBGE	
CCc1nc(CCN2CC(=O)OC(=O)C2)no1	2248944625	PRRYRHIUPZPTEX-UHFFFAOYSA-N	239.231	-0.440	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2249433996	UACZSMJNRCSQCN-RDDDGLTNSA-N	235.048	-0.559	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1cc(B(O)O)c[nH]1	2255463213	GGFSWMAQRCHLPD-UHFFFAOYSA-N	246.031	-0.348	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2255468829	HJFFOFLIRKCNAO-DOWZNPNQSA-N	249.075	-0.266	50	10	BBGE	
CN=c1ccc(NC(=O)C2(B(O)O)CCC2)c[nH]1	2255484815	MOOGRWIVBMHGJX-UHFFFAOYSA-N	249.079	-0.119	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)cn1C)C1CC1	2255505943	QRCPSNVMYDLESA-SNVBAGLBSA-N	248.091	-0.601	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cncc(B(O)O)c2)C1	2255520821	OWOSQEYMTPTEDX-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1cc(B(O)O)c[nH]1	2255671850	XOEZFNRTJZHARO-KTOWXAHTSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC[C@@H]2C[C@@H]21	2255720786	QDSQIARWZKHYKZ-XCBNKYQSSA-N	249.050	-0.260	50	10	BBGE	
C=C[C@@H](NC(=O)c1ccncc1B(O)O)C1CC1	2255733378	JVHKQHXGYOSRQD-LLVKDONJSA-N	246.075	-0.544	50	10	BBGE	
C#CCCN(C(=O)c1occc1B(O)O)C(C)C	2255742155	RXUOKUXEZWACSJ-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)c(OC)c1	2255763370	KIIKINJRTSJMIN-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
C=C=CCC(=O)NCc1cc(B(O)O)ccc1F	2256595321	KMGIKQWPCQLTCQ-UHFFFAOYSA-N	249.050	-0.147	50	10	BBGE	
C#CCCC(=O)Nc1ccc(B(O)O)cc1OC	2256637642	XAJJVTHEUUPTBK-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1cocc1B(O)O	2258125848	AXDXNVSXHRJNGP-VXNVDRBHSA-N	249.075	-0.170	50	10	BBGE	
O=C(NCc1ccccn1)c1cc(B(O)O)co1	2258138495	KVDAPDHAGBKOEJ-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1cocc1B(O)O	2258154645	JJHOUOMDEBUBMS-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
O=C1[C@H]2CCCC[C@@H]2N1C(=O)[C@H]1C[C@H]1B(O)O	2298376068	GNJQZCNPOKTKAK-MAUMQABQSA-N	237.064	-0.223	50	10	BBGE	
CN(CC(=O)NN)Cc1cn2ccccc2n1	2300371581	PFHLEAAHJXHEQE-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
C=CC1CN(c2ccc(B(O)O)cc2C#N)C1	2301345137	BTSSXEBEXHEXPY-UHFFFAOYSA-N	228.060	-0.140	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCOC1	2301366252	CIKVLMSDVYCXLB-JTQLQIEISA-N	233.032	-0.594	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2CN(C)C[C@@H]2C1)B(O)O	2301847930	CHXKEQMIJGEKFA-PHIMTYICSA-N	238.140	-0.172	50	10	BBGE	
COC[C@@](C)(CN1CC[C@@](C)(B(O)O)C1)OC	2303136409	SVMQYJPUSDNOKS-GHMZBOCLSA-N	245.128	-0.023	50	10	BBGE	
C[C@@H]1C[C@H]1CCN=c1cc(B(O)O)c(F)c[nH]1	2303836532	NTOVXWUWURTPJS-HTQZYQBOSA-N	238.071	-0.220	50	10	BBGE	
C[C@@H](N)[C@@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445957	DOBDOQYKZPXEIF-SCZZXKLOSA-N	241.291	-0.473	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1cc(B(O)O)ccn1	2312614609	ZSWVGJWOLRKQTC-OINDSLJFSA-N	248.091	-0.734	50	10	BBGE	
CN[C@H]1CN(c2ccc(B(O)O)cn2)CC1(C)C	2314821929	NVXHAQGTOUUWMY-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cc2C#N)CCNC1	2317206188	MCIQSACZBIRBAN-GFCCVEGCSA-N	246.075	-0.631	50	10	BBGE	
CC(C)=C(Cn1nc2cnccn2c1=O)B(O)O	2317998060	NRHQXHJAEMZAMB-UHFFFAOYSA-N	248.051	-0.761	50	10	BBGE	
COC(=O)[C@@H](C)NC(=O)NC(=O)CCl	49364822	RKXNAXWJIPSENQ-SCSAIBSYSA-N	222.628	-0.388	50	10	BBGE	
COC[C@H]1CCN([C@@H](C)CC(=O)NN)C1	81121026	YWFMCIDOXDWMFI-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1coc(Cn2cncn2)c1	82468475	MFTQDQRFGXHYNQ-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1CC(O)C2)C(=O)NN	82598455	KFBORZVGJURRKC-HNJRMYHASA-N	227.308	-0.400	50	10	BBGE	
N/N=C(/N)SCC(=O)NNc1ccccn1	83589610	LHILQYYIJOMTCQ-UHFFFAOYSA-N	240.292	-0.554	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	93072164	ULWLDNUQUTUHHV-RKDXNWHRSA-N	244.339	-0.543	50	10	BBGE	
CC(C)OCCOC[C@H]1CC[C@@H](C(=O)NN)O1	104105768	PLFPZPYZCAADLP-ZJUUUORDSA-N	246.307	-0.035	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C(C)(C)CO	134191919	GGUDNOHLCADIMY-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
O=C(CBr)NN1CCOCC1	140725362	CFLGNCPLPQZDQW-UHFFFAOYSA-N	223.070	-0.255	50	10	BBGE	
O=C([C@H]1CCCN1)N1CCC(B(O)O)CC1	198039901	MUTLAWCKLMYYAW-SECBINFHSA-N	226.085	-0.796	50	10	BBGE	
Cc1nc(C)n(Cc2cccc(B(O)O)c2)n1	199005578	UGYNNARGTIHJCZ-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
OB(O)c1ccccc1COC[C@@H]1CCOC1	199071919	LTPRPQSZUNEWOM-SNVBAGLBSA-N	236.076	-0.081	50	10	BBGE	
OB(O)c1cc2cc(N3CCOCC3)ccc2o1	201251654	IIEAUVLHYUJBNW-UHFFFAOYSA-N	247.059	-0.051	50	10	BBGE	
OB(O)c1cccc(CSc2ncn[nH]2)c1	203197250	IMDPJXWLWNHBJK-UHFFFAOYSA-N	235.077	-0.223	50	10	BBGE	
C[C@H](N)CCSC[C@H]1CC[C@@H](C(=O)NN)O1	228751850	NFQBYLCBKGCUHN-YIZRAAEISA-N	247.364	-0.006	50	10	BBGE	
COC[C@H](Sc1nncs1)C(=O)NN	232421280	CFUUJJMVHKYJHZ-BYPYZUCNSA-N	234.306	-0.365	50	10	BBGE	
NNC(=O)c1cccc(CN2C(=O)CCC2=O)n1	236224193	NVUSXFQBLXQGLV-UHFFFAOYSA-N	248.242	-0.666	50	10	BBGE	
C[C@@H]1NC(=O)[C@@H]1C(=O)NNC(=O)OC(C)(C)C	238477553	OOSVZQCWDLFRDA-NTSWFWBYSA-N	243.263	-0.323	50	10	BBGE	
OCCOCCNC(=S)NCCCl	243815736	QSJALWAPFBVDGX-UHFFFAOYSA-N	226.729	-0.302	50	10	BBGE	
CCn1ncc(C(=O)NN(C)C(=O)OC)n1	293529311	BRFAKGLAPRBXSB-UHFFFAOYSA-N	227.224	-0.359	50	10	BBGE	
CCO[C@@H]1CCCN([C@H](COC)C(=O)NN)C1	300019094	ISYJEWDQUTXBIY-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)S1(=O)=O	306162133	RXTGTODGDMJLAI-ZCFIWIBFSA-N	223.685	-0.390	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCC)CC(N)=O	309327889	IKPBYUSRVQESFM-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
CCCN([C@@H](COC)C(=O)NN)[C@@H]1CCOC1	310483373	DIVXOLDZMZXQFX-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
NC(=O)NN=C1[C@H]2OC(=O)[C@H]3C[C@H]1C[C@@H]32	379704301	QATDXYJSLCJZNB-GZFNIDBVSA-N	209.205	-0.408	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H](O)CC1	381971707	CCNJGLNMAKUNFR-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@H]1O	388380778	PIHQMOUGDNJASN-IWSPIJDZSA-N	229.324	-0.296	50	10	BBGE	
CCC1(O)CN(CCCC(=O)NN)C1	394902775	DDTNEGKRRBPQGA-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395574696	ANYQHXRWOUQFRY-YUMQZZPRSA-N	217.313	-0.296	50	10	BBGE	
CC(C)(CCN1CC[C@H](O)C1)C(=O)NN	395625019	JFADHWBMEZSAAP-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CN1CCC[C@@H]1COc1cccc(B(O)O)c1	395644552	GSTNQXAGVWLYTK-LLVKDONJSA-N	235.092	-0.161	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(C)=O	404981958	JSOURMNONWRJRT-UHFFFAOYSA-N	207.038	-0.113	50	10	BBGE	
Cc1oncc1C(=O)Nc1ccc(B(O)O)cc1	404995869	HGQOTEOEAQRLAV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(B(O)O)c(F)c1	405014755	FGNOXMIJOHGMOD-UHFFFAOYSA-N	247.056	-0.733	50	10	BBGE	
CCNC(=O)Nc1ccc(F)c(B(O)O)c1	405063081	FSUJVEQUCDWXMK-UHFFFAOYSA-N	226.016	-0.353	50	10	BBGE	
C#CCOC(=O)Nc1ccc(B(O)O)cc1F	405076109	HRVVDQBSPGBKJH-UHFFFAOYSA-N	236.995	-0.313	50	10	BBGE	
CCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)C#N	585005785	MEFPIQPENOFVKZ-SECBINFHSA-N	246.075	-0.259	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@@H](C)CC(=O)NN	688142903	FCSVCGNQRPFGIC-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CC(N)=O)C1	690736672	JXCKNQVWIFMWLV-XHNCKOQMSA-N	242.323	-0.802	50	10	BBGE	
C=CCNC(=O)CN1CCC(O)(C#N)CC1	692090110	HXRLSLRNUOOFTA-UHFFFAOYSA-N	223.276	-0.361	50	10	BBGE	
OB(O)c1cnn(Cc2cccc(F)c2F)c1	694499898	GPBIZBXWKAMJLB-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
Cc1nn(C[C@H](O)CBr)c(=O)o1	694862167	AWHXUOIJQHPVLX-RXMQYKEDSA-N	237.053	-0.099	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOC[C@@H]1CO	695062472	QYBKYCAOPVAZBQ-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H](F)[C@@H](F)C2)c1	714516863	DOBCSFQIGPTMFY-QWRGUYRKSA-N	241.046	-0.142	50	10	BBGE	
Cc1ccc(NC(=O)COC2CC2)cc1B(O)O	716963165	KRNCDVVYUUSLBG-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721778246	PMKBLVVIPVFOEV-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1nccn1C	741260776	XAWRROPQUSOEPW-UHFFFAOYSA-N	210.237	-0.163	50	10	BBGE	
CC[C@H](C)NC(=O)NNC(=O)[C@@H]1COCCO1	745244892	QMKOXFWRGOEOKA-YUMQZZPRSA-N	245.279	-0.469	50	10	BBGE	
CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C	770644222	JLYFXYFFJWVHDP-BQBZGAKWSA-N	200.238	-0.031	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccccn2)nn1	808376636	AHFWMYFOQWKBQI-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CCN1CC(CN(C)[C@@H](C)[C@@H](C)C(=O)NN)C1	822037822	VTCJIYWRPVOEFE-ZJUUUORDSA-N	242.367	-0.116	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCC(=O)NC1	862503652	AEZQPBVDNQTOAK-VIFPVBQESA-N	248.286	-0.219	50	10	BBGE	
CN(NC(=O)[C@]12CCC[C@H]1OCC2)C(N)=O	867127154	LKJXZXLSQWYBPZ-XCBNKYQSSA-N	227.264	-0.013	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)[C@H](C)CO)n[nH]1	1163322945	CYOKWECEWZISIQ-SECBINFHSA-N	240.307	-0.005	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@H](CO)C1	1253560697	ZYCKYRYBTPZVQR-LJGSYFOKSA-N	227.713	-0.085	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(CO)cc1	1292009242	BONZKHBZJMGTEB-UHFFFAOYSA-N	223.232	-0.247	50	10	BBGE	
C/C(C#N)=C\CN1[C@@H](C)C(=O)N(C)S1(=O)=O	1473022299	YDHLMKDDSZNFOS-IPWDFOCMSA-N	243.288	-0.136	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	1564995674	FCAMXPNHIZBVTP-MRVPVSSYSA-N	247.258	-0.139	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1nsnc1O	1627153431	SBHYDCMAFMELMP-UHFFFAOYSA-N	245.264	-0.404	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)Cc2ccccn2)C1	1627555873	KNSAQMMPOSOOFM-UHFFFAOYSA-N	247.254	-0.249	50	10	BBGE	
N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H]1Cl	1877393102	CVZSMOJVTDEUOJ-XUTVFYLZSA-N	218.684	-0.154	50	10	BBGE	
O=C1COCC(=O)N1C[C@H]1C[C@@H]1Cl	1883563262	JQIKBRZPQBURNX-RITPCOANSA-N	203.625	-0.001	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)CBr	1883718597	SWMWMLYQFFNCQB-UHFFFAOYSA-N	248.084	-0.437	50	10	BBGE	
C[C@H]1CNC(=O)CN1S(=O)(=O)CCCl	1885613525	DRNUPKVYXPFFGY-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
O=C(F)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21	1887185613	AMUHVYFWFRLYGM-RITPCOANSA-N	222.241	-0.853	50	10	BBGE	
Cc1nc(CNS(=O)(=O)CCl)nn1C	1888421375	RJDXWTWOBYRWIM-UHFFFAOYSA-N	238.700	-0.261	50	10	BBGE	
C[C@@H](COC[C@@H]1CCN1C)C(=O)NN	1888715140	YCJRVHCMMDDZMA-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(NCC1CC(Cl)C1)C1CNC1	1893513946	QTYVRTCGXJNUQW-UHFFFAOYSA-N	238.740	-0.105	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cnsc1B(O)O	1900466383	FTQCFJHGNMAFKB-ZCFIWIBFSA-N	240.093	-0.553	50	10	BBGE	
O=C(NCCCCF)c1cnsc1B(O)O	1900475653	XIBLFTKDOLDZHP-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
COCCSc1ccc(B(O)O)cc1C#N	1901203731	OJMGWMTXEFMJIU-UHFFFAOYSA-N	237.089	-0.023	50	10	BBGE	
CC#CCNc1ccc(C=O)c(B(O)O)c1	1901254718	CXWYYKSXFZDQLT-UHFFFAOYSA-N	217.033	-0.386	50	10	BBGE	
CCC#CC(=O)Nc1ccccc1B(O)O	1902333416	HLBIITTYEMPCFE-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
C=C(C)CC(=O)NCc1cnc(B(O)O)s1	1902356837	NYSXISMHTGTYLJ-UHFFFAOYSA-N	240.093	-0.595	50	10	BBGE	
COC1CC2(C1)CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1906085618	BCPYOPLELHOGCT-WCBMZHEXSA-N	239.319	-0.277	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)[C@@H](F)C2)n1	1907078991	DNBGBFQGHMWPOF-MUWHJKNJSA-N	239.059	-0.741	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(CCN(C)C)C1	1910109672	YQSIVOLZMJOTON-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
Cc1ncn(C[C@@H](C)C(=O)NN)c(=O)c1C	1912237290	HWKBVRUPRMRPOK-ZCFIWIBFSA-N	224.264	-0.514	50	10	BBGE	
O=C(CC1CCC1)Nc1ncccc1B(O)O	1913634805	MMAPAWABIIORNP-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914870415	PTXMPASXGMWRBF-VHSXEESVSA-N	239.323	-0.860	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCCC[C@H]1C(=O)O	1916155842	IMWOSXOXOHUXBZ-DTWKUNHWSA-N	244.291	-0.119	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917086501	INULEDTXTQHZQY-VXNVDRBHSA-N	219.260	-0.839	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(N)=S)cn1	1922328824	PLFFXLWOCQLKEI-UHFFFAOYSA-N	221.245	-0.569	50	10	BBGE	
C=CCOCC(=O)NNC(=O)C(F)(F)F	1923407733	FEQPDGNTPBSNSK-UHFFFAOYSA-N	226.154	-0.101	50	10	BBGE	
CCCc1c(C(=O)NNCCO)nnn1CC	1923625632	CTMGJMZSMGGWNH-UHFFFAOYSA-N	241.295	-0.523	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1cc(B(O)O)ccn1	1924099993	VAVMFHDQDXBGIE-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
CC(C)(CN1C[C@@H](O)[C@H](F)C1)C(=O)NN	1929913538	SSQUVOSOUOIYLA-RNFRBKRXSA-N	219.260	-0.983	50	10	BBGE	
CO[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N=C=O	1932343593	OXZBBPJTLFQACX-JGVFFNPUSA-N	234.277	-0.629	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CC(F)(F)C(=O)NN	1935943355	CLFFNFNWTDCSES-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@](C)(N(C)C)C1	1937545252	KHIFMFMGCWXEDF-KOLCDFICSA-N	228.340	-0.219	50	10	BBGE	
CN(Cc1ccnn1C)C[C@@H]1C[C@H]1C(=O)NN	1941092272	ICGJZFBZDHLALV-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@H]1C	1941092629	LFOFWBNMRSYCDM-DKXJUACHSA-N	239.275	-0.747	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cocn1	1944195875	AJICMPJYVFJRMS-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@]23CCC[C@]2(COC3)C1	1947539565	CWCBSVGJRNERSN-ZMLRMANQSA-N	239.319	-0.133	50	10	BBGE	
COC[C@]1(C(=O)CCl)CNCCO1	1954340652	JWOPALJRWVFYBY-QMMMGPOBSA-N	207.657	-0.201	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1CN2CC[C@H]1C2	1958197533	SGBAPBXNPRMNFK-BQBZGAKWSA-N	231.683	-0.245	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1959720508	NBHAIAVBUGSTQB-LURQLKTLSA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@H](O)C1	1960249803	WRFAGFPIUNSIAK-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
C[C@@H](C(=O)NN)N(C[C@@H](C)C#N)C1CC1	1961233251	DKZWSSPJIXFECQ-YUMQZZPRSA-N	210.281	-0.011	50	10	BBGE	
N#CC1(O)CCN(CC2(F)CNC2)CC1	1975087606	CJVONGUTXFOJQK-UHFFFAOYSA-N	213.256	-0.352	50	10	BBGE	
O=C(CCCl)N1CCn2c(CO)nnc2C1	1981094219	UZPZZFCZZBYNGM-UHFFFAOYSA-N	244.682	-0.259	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(F)(CO)C1	1981511855	GOMCFSPAQAHZMH-ZETCQYMHSA-N	233.287	-0.593	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cn1)OC(C)(C)C	1989538912	MDNYUVWUNZDBLB-MRVPVSSYSA-N	226.085	-0.234	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1(CCO)CC1	1989720486	KVKXDPSFRFKQHL-HTQZYQBOSA-N	225.244	-0.182	50	10	BBGE	
CC(C)(C)S(=O)(=O)N[C@@H]1CCC=C1B(O)O	1991329062	VKRZFCQONRIHQK-MRVPVSSYSA-N	247.125	-0.195	50	10	BBGE	
O=C(O)C[C@@H]1C(=O)NCCN1C[C@H]1C[C@@H]1Cl	1991431052	BDFCGEMWHXKCRE-GJMOJQLCSA-N	246.694	-0.111	50	10	BBGE	
CC1CCC(C(=O)NCC#CB(O)O)CC1	1992167222	GQNGVGUOZJPCGR-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC(C)NC(=O)C1CN([C@H](C)CC(=O)NN)C1	2002651960	IXOWSMZPLNALTR-MRVPVSSYSA-N	242.323	-0.789	50	10	BBGE	
CCC[C@@H]1COCCN1[C@@H](COC)C(=O)NN	2003903964	AEVCAUDXDFOGPC-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2C[C@H]2F)c(B(O)O)c1	2014735248	MVULGGMYNKPPDE-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCC(=O)N(C)C	2014825720	SEDMTHVQBDTZCU-VIFPVBQESA-N	244.339	-0.445	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H]2CCCCC[C@H]21	2017526068	YZABINHQGOAFCT-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC12CCOCC2	2019207959	DSEXZZXKVRTQES-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CC[C@@H](O)C[C@@H]2C1	2024502829	LLFYWDKCNHLXSY-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1ccncc1B(O)O	2025753917	RGFWXWJAZBPUBJ-KWQFWETISA-N	238.071	-0.054	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCOCC23CC3)n1	2052557227	RVCUQIDGOIFKNW-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@H]3COC[C@@H]32)c1	2066310036	PQXFCHIEQCVDPP-QWRGUYRKSA-N	248.286	-0.484	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2nc[nH]c2c1	2077481916	BXBOJMWYZXOLAD-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
Cc1nc(OC[C@@H]2C[C@H]2C2CC2)ncc1B(O)O	2079936232	VORWBMLBBLHDKR-UWVGGRQHSA-N	248.091	-0.110	50	10	BBGE	
C[C@@H](CCN)Oc1nccc(B(O)O)c1F	2212607746	NAMMVRHXZWEADP-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
OC[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214598414	HBAAANDURZFDSW-GFCCVEGCSA-N	235.092	-0.677	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@@]2(F)C1	2216597337	IBOQYPQRDWHRFD-GZMMTYOYSA-N	236.055	-0.300	50	10	BBGE	
C[C@H](CO)CC1CN(CC(C)(C)C(=O)NN)C1	2216703312	IWDWXMKYMDNLJJ-VIFPVBQESA-N	243.351	-0.047	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](C(F)F)C2)c1	2217175947	PQKZBVYQYRQRQG-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCOCC2)nc1	2217177463	JKSOKSOUYIWTPB-JTQLQIEISA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1OCC[C@@H]1F	2217177863	OMKZWFYTKKSIFA-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
NC[C@H]1CC[C@H](Oc2cc(B(O)O)ccn2)C1	2217191149	IIROFYSCNXIPQM-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
CC(C)COCCN=c1ccc(B(O)O)c[nH]1	2217198122	WYTFQKPJGWTAJY-UHFFFAOYSA-N	238.096	-0.732	50	10	BBGE	
CC[C@H](CN(C)C)Nc1ncccc1B(O)O	2217203395	UKAIOBVCSKVGQE-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)CCN1	2220061835	DRJKGJBTCBLGDU-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)Nc1cccc(B(O)O)c1	2220587976	JNEYJRFFGVQBGL-WDEREUQCSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H](Cn1ccnc1)Nc1cc(B(O)O)ccn1	2223626758	JHHDUQWAWBSKRG-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
Cc1cnc(N2CC[C@]23CCOC3)cc1B(O)O	2223652096	GOECLDBXDUAKDF-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1ccncc1CN=c1ccc(B(O)O)c[nH]1	2223667199	QQIDBIQUTBDVNL-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H]2CC[C@H]1N2	2223668235	XTMNJOSUDPNPBK-IEBDPFPHSA-N	247.107	-0.544	50	10	BBGE	
NC[C@@H](Nc1cc(B(O)O)ccn1)C1CCCC1	2223674051	IZLAOOOARFZKKG-LLVKDONJSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1cnc(N2CC=CCC23CCC3)nc1	2223679338	OGFQNXNPKJOSNG-UHFFFAOYSA-N	245.091	-0.155	50	10	BBGE	
CCCN(OC)C(=O)C1(B(O)O)CC1	2241473155	DVJDIKRMZOLJJI-UHFFFAOYSA-N	201.031	-0.207	50	10	BBGE	
O=C(F)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2	2241929037	QHUNXWILCBVNOC-XRGYYRRGSA-N	202.185	-0.033	50	10	BBGE	
CC1(OC[C@H]2C[C@@H]2C(=O)NN)COC1	2242118076	MTAAZDXEJWOZGV-RQJHMYQMSA-N	200.238	-0.582	50	10	BBGE	
COC(CNC(=O)C1(B(O)O)CCC1)OC	2243347773	POQWEHYCSQWBPF-UHFFFAOYSA-N	231.057	-0.881	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)sn1	2243377673	DYSGRSLNUVMAFV-NTSWFWBYSA-N	240.093	-0.649	50	10	BBGE	
CN(CC1(O)CCC1)C(=O)[C@H]1C[C@H]1B(O)O	2243391370	JYWQSWPYCUHRGY-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
C=C(CS(=O)(=O)NC1(CC)CCC1)B(O)O	2243432636	BXAVEMVHRQRFQE-UHFFFAOYSA-N	247.125	-0.193	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@@H](C2CC2)CC1	2247747301	LOKDMIVQTBMXAM-SNVBAGLBSA-N	237.064	-0.971	50	10	BBGE	
CO[C@H]1C=CCN(C(=O)C2(B(O)O)CCC2)C1	2247753394	GKMKOMUOSFFSDG-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC[C@H]1O	2247786203	XMTVOSXCOIOZCE-PKIKSRDPSA-N	241.096	-0.341	50	10	BBGE	
Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)oc1B(O)O	2247788773	KWXLYRVRWVSHEN-POYBYMJQSA-N	237.064	-0.346	50	10	BBGE	
CCCCNC(=O)c1ncc(C)cc1B(O)O	2247790592	HZUNJILSQCQHDB-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
O=C1CC2(CCC2)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247805428	KEAOSBBSVKLCOP-YUMQZZPRSA-N	237.064	-0.222	50	10	BBGE	
CCCC1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247846666	KGSXTCYLHSZBHE-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
CC[C@H](NC(=O)c1ccc(B(O)O)o1)C(F)F	2247848033	GCCIAZPAWQMENJ-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
NCc1cc(F)cc(NC(=O)C#CB(O)O)c1	2247849206	XCNZTPYIUPCBMA-UHFFFAOYSA-N	236.011	-0.762	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@H]1CCCOC1	2247851645	HTRGXJJXIKYTMY-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1F	2247853030	FKARVCYCSZEQLZ-YUMQZZPRSA-N	245.059	-0.421	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CC[C@H]21	2247875172	WJAQJGAWWINWHT-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CCN(CC1CC1)C(=O)c1occc1B(O)O	2247878496	KTMRHKWIYYBQNP-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
Cc1cnccc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247897459	SNYHDDATWARGAO-ZJUUUORDSA-N	234.064	-0.131	50	10	BBGE	
O=C(N[C@]12CC[C@@H]1CNC2)C1CC(B(O)O)C1	2247904593	QMCLWQTXRBAPKN-LURLDICESA-N	238.096	-0.892	50	10	BBGE	
CC#CC(=O)Nc1ccc(F)c(F)c1B(O)O	2248402505	XUIZBRWREKPDFJ-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248576495	KNTUKLDNZIEGEW-QGOVLLJGSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1cocc1B(O)O	2249434212	XDUKFSMRFHEARC-PRJMDXOYSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1CCC1	2249441160	UNDACHKGHVTSHU-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
OB(O)c1ccnc(NC23COCC(C2)C3)c1	2250896162	XBLGHFCPEXNCFW-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C#CC1CC(NC(=O)c2cc(B(O)O)oc2C)C1	2255449224	LEEKHZMURJAXFY-UHFFFAOYSA-N	247.059	-0.591	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)cn1	2255569433	WEADGBKKVOKYBD-BDAKNGLRSA-N	249.079	-0.051	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](n2ccnc2)C1	2255679349	GTURCEAEZCLWHS-JTQLQIEISA-N	247.063	-0.938	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1cncc(B(O)O)c1	2255679425	LKBKUSVWCCITDQ-NSHDSACASA-N	248.091	-0.154	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(F)c(B(O)O)c1	2255718548	BAAPZDPCOUTJNU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CC1(C)CCN(C(=O)c2ccncc2B(O)O)C1	2255728703	KGFNUYPKTPWZDV-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2CC23CC3)cc1B(O)O	2255736608	QNRVVPMHGQDXOP-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
O=C(N=c1[nH][nH]c2ccccc12)C1(B(O)O)CC1	2264228949	WJPJXUHZCYUIDJ-UHFFFAOYSA-N	245.047	-0.070	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]1CF	2297286378	VHSWEDCDQFUPSU-RNJXMRFFSA-N	203.261	-0.098	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CC[C@@H]3C[C@H]23)n1	2297868881	IXXQRKGLLTWGPV-WEDXCCLWSA-N	234.064	-0.358	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)N(C)C[C@@H]1C	2298180437	PGRWINJCIJYTBT-UTLUCORTSA-N	244.339	-0.984	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368585	NFRJFOBNNXPYDN-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298370255	UCKOKPSEIAPVFA-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375067	XMYMQXUNLYTSQV-QEYWKRMJSA-N	241.096	-0.674	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CCO)[C@@H]1C[C@@H]1B(O)O	2298376233	NTSOSSMCKQYQFW-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](CO)CNc1ccc(C=O)c(B(O)O)c1	2301421461	UUOQBYBKZLIIAA-MRVPVSSYSA-N	237.064	-0.781	50	10	BBGE	
CC(C)=C(CN1CC(n2cncn2)C1)B(O)O	2301848824	OHVBKBWDOXKGDP-UHFFFAOYSA-N	236.084	-0.517	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(c1ncccc1B(O)O)C2	2312612120	ABVCTWJFQVNLEZ-OPRDCNLKSA-N	247.107	-0.923	50	10	BBGE	
Cn1cnc(Oc2ccc(B(O)O)cc2C#N)n1	2317199780	HPLFHHCANQGCBD-UHFFFAOYSA-N	244.019	-0.841	50	10	BBGE	
O=Cc1ccc(NCCOC2CC2)cc1B(O)O	2317349258	ZQCNKVZNYPWOSP-UHFFFAOYSA-N	249.075	-0.230	50	10	BBGE	
C=C1C[C@@H]1C(=O)N(C)Cc1ccccc1B(O)O	2319329914	TZGXYOIYNZYAFK-NSHDSACASA-N	245.087	-0.099	50	10	BBGE	
N#C[C@@H]1CCCN(c2cc(B(O)O)c(F)cn2)C1	2320795211	RCNWWXUTKYCHKF-QMMMGPOBSA-N	249.054	-0.360	50	10	BBGE	
CCN(CCOC)[C@@H](C(=O)NN)C(C)C	82470200	YXXTWWFMMYOSFV-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
CS(=O)(=O)CCNS(=O)(=O)CCl	82512429	WZBWZTFJZDPNBJ-UHFFFAOYSA-N	235.714	-0.853	50	10	BBGE	
O=C(Cl)CN1C(=O)c2nccnc2C1=O	83252052	GQTLKVGCNXOSNG-UHFFFAOYSA-N	225.591	-0.162	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](O)C2)nc1	94763758	BFGOEELLJVJGOQ-SNVBAGLBSA-N	236.275	-0.748	50	10	BBGE	
N#C[C@H](Cl)CN1C(=O)COCC1=O	132581263	SVSMZFOLHDAZMC-YFKPBYRVSA-N	202.597	-0.497	50	10	BBGE	
O=C(O)[C@H](Cl)Cn1cnccc1=O	132868377	JGPMWBPZEQYNIA-RXMQYKEDSA-N	202.597	-0.065	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](C)C(=O)N1CCOCC1	159170633	FJTOUHOBHIDRHH-HTQZYQBOSA-N	248.710	-0.023	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CCO)C1	159979626	DDGMDSZJYRHKQF-NXEZZACHSA-N	229.324	-0.295	50	10	BBGE	
N[C@@](CCCCB(O)O)(C(=O)O)[C@H]1CCNC1	203707127	VSMNBLJMRLYUTE-WCBMZHEXSA-N	244.100	-0.979	50	10	BBGE	
CC(=O)c1cc(B(O)O)cc(Br)n1	206085899	ZBJRBUNMAHROGD-UHFFFAOYSA-N	243.853	-0.274	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C(F)(F)F)n1	206086470	YOSLCVZTZJDNNU-UHFFFAOYSA-N	248.953	-0.433	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(C)(O)CC1	211783280	PUEDBVGFTBSFEZ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(N)=S)[C@@H]1C	226916919	YFRYFMMBCVOJDI-UCROKIRRSA-N	231.321	-0.090	50	10	BBGE	
CC(C)O[C@H](O)c1cccc(B(O)O)c1	238203348	KFPGUWWFUVACOI-JTQLQIEISA-N	210.038	-0.218	50	10	BBGE	
COc1c(Br)cncc1B(O)O	238341052	GVJLLOINMIRGME-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
CCN(CCO)[C@H](C)[C@H](C)C(=O)NN	252615060	YSAWRNXYCCWUEH-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
NC(=O)CS(=O)(=O)CCCCCl	300833694	PDDFEIUCICVUNH-UHFFFAOYSA-N	213.686	-0.095	50	10	BBGE	
C[C@H](NC(=O)CCN)NC(=O)CCCl	308476822	JUNJDABFJFFSCT-LURJTMIESA-N	221.688	-0.458	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1[C@H]2CNC[C@H]21	381483966	GTDWIDAWQRKIQF-ZMONIFLSSA-N	213.237	-0.771	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CC[C@H]1C2	381749573	DKQIIMSYMSMNRO-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)CC[C@H]1C	399432681	SDKQOKSHJBHNQS-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CN(CCCO)C1CC1)C(=O)NN	404255659	QZPWKMSBAYMQFM-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CO[C@@H](C)C(=O)NCc1cccc(B(O)O)c1	404996837	GZRGERBHEBKMPY-QMMMGPOBSA-N	237.064	-0.983	50	10	BBGE	
CCOC(=O)[C@H](CC)[S@](=O)CC(=O)NN	586366404	FCKLYTIDWAQCFA-WDDATRMLSA-N	236.293	-0.933	50	10	BBGE	
NS(=O)(=O)N1CCCOC[C@H]1Cl	616648545	OCUUSMLWTNNPGR-YFKPBYRVSA-N	214.674	-0.523	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2[C@H](C)C(=O)NN	686191501	UTOJFGCVBZEWTH-VAPHQMJDSA-N	227.308	-0.402	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2CC2(F)F)c1	691222335	MAZRVIPQMHDJNQ-LURJTMIESA-N	228.991	-0.205	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)CCN(C)CCO	691269379	SVNFNOVSGLRJPF-MRVPVSSYSA-N	222.716	-0.004	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](COC)OC	691284709	FPVZNYRQBSRGON-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CCC(=O)N2)CC1	692090705	LMPQLNICPCHALM-SECBINFHSA-N	223.276	-0.385	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(CN(C)C)C1	695087954	QLIWJCHNLKZBIH-LLVKDONJSA-N	242.367	-0.116	50	10	BBGE	
Cn1nnc(C(=O)N[C@]2(CCl)CCOC2)n1	697201673	SKNICGVPDHSDTA-QMMMGPOBSA-N	245.670	-0.662	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@@H]2Cl)nn1	701472293	BCKXKUDCGBGOJB-RFZPGFLSSA-N	214.612	-0.838	50	10	BBGE	
CN1CC(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	703435750	GKFWQVSNTXDRMU-YUMQZZPRSA-N	210.233	-0.783	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ncnn1C	707412017	SMYSKYQOFFIBOY-YUMQZZPRSA-N	240.311	-0.739	50	10	BBGE	
CN(C(=O)CBr)[C@@H]1COC[C@@H]1O	709112214	XPBYAJCXVKVVBA-RITPCOANSA-N	238.081	-0.401	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnc[nH]1	709748273	NSVRIUMLBVOVMR-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
OB(O)c1ccccc1OCCOC1CC1	711715034	PAUKYIDXZXYGSD-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CN1S(=O)(=O)CCl	715584829	KZVHKUYAFSAZIF-CRCLSJGQSA-N	209.654	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@]1(C)CO	723000925	UAWDWGIXSWRVQF-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
COCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846391603	AWEQNWMLPVYOEF-GJMOJQLCSA-N	228.248	-0.652	50	10	BBGE	
CO[C@@H](C=NNC(=O)c1cn(C)nn1)C1CC1	853383796	ZSTPRSGKDIOVQI-VIFPVBQESA-N	237.263	-0.044	50	10	BBGE	
CN1C[C@H](C(=O)NCC(Cl)Cl)NC1=O	854452686	XQTOFMQHHKDEHN-SCSAIBSYSA-N	240.090	-0.070	50	10	BBGE	
C#CCCCCC(=O)NNC(=O)c1cn(C)nn1	855187286	SCQFRHAYPGSISE-UHFFFAOYSA-N	249.274	-0.230	50	10	BBGE	
CN1CC[C@H](C(=O)NNc2ccncn2)C1=O	1158664858	BGYLVRKYKWWTNS-SSDOTTSWSA-N	235.247	-0.602	50	10	BBGE	
O=C(NNc1cccc(F)n1)C1(O)COC1	1297535915	LNPOEFGBWRBIHX-UHFFFAOYSA-N	227.195	-0.575	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNC(=O)[C@H]1CCCO1	1324593425	JKXQWSSTBYJVMU-ZCFIWIBFSA-N	239.235	-0.947	50	10	BBGE	
CNC(=O)NNC(=O)c1cn2c(n1)CCC2	1328561170	BTEKZDCLPMBGMI-UHFFFAOYSA-N	223.236	-0.597	50	10	BBGE	
CC(=O)NNC(=O)/C=C/Cn1cncn1	1333993425	HQGUXWALBVOIMA-NSCUHMNNSA-N	209.209	-0.998	50	10	BBGE	
O=C(CC1COC1)NNC(=O)[C@H]1CCCCO1	1334154016	IBGXYMQWJALJKY-SECBINFHSA-N	242.275	-0.261	50	10	BBGE	
N#Cc1ccc(NNC(=O)C2(C(N)=O)CC2)nc1	1455573454	WVKNIQSYWUHMQJ-UHFFFAOYSA-N	245.242	-0.338	50	10	BBGE	
CC(=O)NC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12	1530508524	FGPZPYNCWJUZRO-FBSDJGSXSA-N	239.227	-0.630	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ncccn1	1542414811	BOPVHQWTFYBIOF-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
O=C(NNC(=O)c1ccc[nH]1)c1ncon1	1558630668	NPQUKOFXWHFRAV-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccc(F)cn1	1651397038	ZTLDLJOHISMFIO-UHFFFAOYSA-N	237.198	-0.650	50	10	BBGE	
N=c1nc[nH]c(=NC[C@@H]2C[C@H]2Br)[nH]1	1877358021	NTLQXYDTMNFCGQ-CRCLSJGQSA-N	244.096	-0.099	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@H]1C[C@H](O)CN1	1877393430	GTDXZGKDQKHULZ-RULNZFCNSA-N	218.684	-0.547	50	10	BBGE	
O[C@@H]1CN(C[C@@H]2C[C@H]2Br)C[C@H]1O	1877481801	PEEDTWZMIQMLNC-LXGUWJNJSA-N	236.109	-0.193	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@@H]1C[C@@H]1Cl	1883645242	NBIUCVPYWOKFQR-HEIBUPTGSA-N	200.669	-0.052	50	10	BBGE	
C[C@H](NS(=O)(=O)CCl)c1nc(=O)o[nH]1	1885003278	PPWLFLAVRZTHQK-VKHMYHEASA-N	241.656	-0.460	50	10	BBGE	
CC1(COCCOCC(=O)NN)CC1	1886130682	ICXFGIMDKPPJLH-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)NC(C)C	1888572571	WXVPSMJYRUMEEQ-UHFFFAOYSA-N	223.298	-0.110	50	10	BBGE	
C[C@H](CN1CC[C@H](F)C1=O)C(=O)NN	1889043923	ZSMJTPYIXTUMOR-RITPCOANSA-N	203.217	-0.817	50	10	BBGE	
CSC[C@@H](C)C(=O)NCC=CB(O)O	1892920613	SZKMFRGOAYHXEF-SSDOTTSWSA-N	217.099	-0.330	50	10	BBGE	
C[C@H]1C(COc2ncc(B(O)O)cn2)[C@@H]1C	1896081514	ZUCCYVXGGIAFJS-RNFRBKRXSA-N	222.053	-0.563	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1896908883	IYKUKJWJJKCDSZ-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)C[C@@H]1CO	1899604672	DFLQWSSXASBBOX-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
CC#CCOc1ccc(C=O)c(B(O)O)c1	1901242943	QMSWZNLTFRMICY-UHFFFAOYSA-N	218.017	-0.419	50	10	BBGE	
C#CC[C@H](N)C(=O)NN(C)S(=O)(=O)C(C)C	1901377283	MEZQTIXIKUFVPO-QMMMGPOBSA-N	247.320	-0.962	50	10	BBGE	
NNC(=O)COCCOCc1ccccn1	1901608635	ASMNTRBVRKMMMT-UHFFFAOYSA-N	225.248	-0.395	50	10	BBGE	
CN1C[C@@H](CN2CC[C@H](B(O)O)C2)CC1=O	1902511305	GFKIQJOPDNHZRF-IUCAKERBSA-N	226.085	-0.987	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@@H](C2)C1=O	1905551814	AFPCXGYVJNKMJT-CSMHCCOUSA-N	239.275	-0.460	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(=O)N(C2CC2)C1=O	1906949091	WYYKDWYFRVXZKZ-LURJTMIESA-N	240.263	-0.819	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1COC2CC1C2	1908622039	QPUVMFYZMXAHCB-ZIJYYKPNSA-N	239.319	-0.278	50	10	BBGE	
CCOC(=O)Nc1ncccc1B(O)O	1913650827	HQMLHLFGURNEMN-UHFFFAOYSA-N	209.998	-0.670	50	10	BBGE	
N#CC1=CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1	1917059956	HRJALCZAMWPQQC-NXEZZACHSA-N	242.300	-0.700	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(CCC[C@@H]2O)C1	1918418372	GIYAEZVLFDWAQE-YWVKMMECSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@@H]2C[C@H]1CO2	1927906678	CDNLUZMDIJHIKK-JBDRJPRFSA-N	211.265	-0.915	50	10	BBGE	
C[C@@H]1CN(CCC(=O)NN)[C@H](C)CCO1	1929660927	GZQCYEXRICFBJU-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1CCC[C@H]1Cn1cc(B(O)O)cn1	1930302859	HTJIGMJDSSTFLT-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)CCOCC(=O)NN	1936538553	YKJPHUGRSOHEPS-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCO)CCN(C)C	1949776449	HYEGIQMNTWJTED-SNVBAGLBSA-N	246.355	-0.999	50	10	BBGE	
CCCn1nncc1CN(C)[C@@H](C)C(=O)NN	1950437717	BVMZVVOKKXIRJA-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1951322026	QGWAVRBONDFWGU-DJLDLDEBSA-N	227.069	-0.513	50	10	BBGE	
NC1CN(CC(=O)CBr)C1	1953165866	GSAUIEYMPYBZCP-UHFFFAOYSA-N	207.071	-0.407	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@]12CC2(F)F	1956904002	JANDSCGJCFLLLO-DZSWIPIPSA-N	205.164	-0.269	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)[C@@H]1C	1956965981	NUBBAOKJXYAFFZ-PHDIDXHHSA-N	212.083	-0.333	50	10	BBGE	
C[C@H]1C[C@H](CN(C)CCC(=O)NN)CO1	1958051979	RHTVZMBQGICSKV-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1961573304	XTWYZVUZVGEFMS-RYPBNFRJSA-N	213.281	-0.790	50	10	BBGE	
CNC(=O)[C@H]1CNCCN1C[C@H](Cl)C#N	1962289949	LXUDVMCHGCNCIO-HTQZYQBOSA-N	230.699	-0.863	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCOC12CCC2	1976012238	FSACAEXGOICIBL-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	1978981211	WEZAGMQOCGDGLT-FBIMIBRVSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCCn1ccnc1	1980765441	INQKUFGEBMMAEJ-VIFPVBQESA-N	225.296	-0.417	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	1981053803	OEFKKBRJKLVFAD-PHDIDXHHSA-N	245.666	-0.624	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[S@](=O)[C@H](C)C1	1981188704	QXWIAHLKPVHWOR-LGZSNQIQSA-N	247.364	-0.402	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H]3C[C@@H]32)nc1	1981413085	BBNKHGZQDJCBSE-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@H]1C2	1981413621	ITXKCUNBMYBUQF-YUMQZZPRSA-N	219.053	-0.855	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)c1ccc(B(O)O)cn1	1981415398	DKMSCXGXBBHTJM-WCBMZHEXSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)[C@@H]1C	1981417095	WYTCUNQGVNWBFX-HTQZYQBOSA-N	221.069	-0.609	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)c1nc(B(O)O)cs1	1981468863	JEWNBVHBOLYJCS-RQJHMYQMSA-N	242.109	-0.706	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]2C1	1981471397	JALOAZCJBMJKMV-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@@H](C2)[C@H]1CO	1984193459	TYXDNWBFBNICCN-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
CN(Cc1ccn2nncc2c1)C(=O)NN	1986997938	ZBONQDUMAZWGRX-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCOC[C@@H]1F	1987224228	KEUYAHGDVTUFGM-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]1C(C)(C)O	1989119593	UQZLWSRPDJKEJE-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
CO[C@H](C)CC(=O)N[C@H]1CCC=C1B(O)O	1991333214	BZWYLDYISZHCEL-APPZFPTMSA-N	227.069	-0.372	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@H]1COC[C@H]1O	1991649474	CHBACPZLKYZNBY-JGVFFNPUSA-N	247.678	-0.178	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCN(C2CNC2)CC1	1991677797	BPBHVASHRXNYQN-UWVGGRQHSA-N	243.738	-0.270	50	10	BBGE	
C[C@@H](N)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991714333	FLUUTZFQKPOCKB-TZIBCRCASA-N	246.694	-0.117	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1C[C@@H](CO)CO1	1991716434	JSCXQYYVOAAETM-PPYPBTKYSA-N	247.678	-0.178	50	10	BBGE	
C=C(CN1CC(C)(C)[C@@H]2COC[C@H]21)B(O)O	1992167430	KGZULSMBEUUFFG-NXEZZACHSA-N	225.097	-0.089	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1993221360	YVRNUJZTSOEBLV-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)[C@H](C)C1	2000981689	WXIGVHDKDJFRFE-SCZZXKLOSA-N	243.307	-0.896	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCCC1=O	2003505652	FRXXDHIYZSLDDM-UHFFFAOYSA-N	237.263	-0.854	50	10	BBGE	
CC(C)COCCOc1ccc(B(O)O)cn1	2004950394	FKMRPSRZPIOWRP-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
COC[C@H]1CN(CCOCC(=O)NN)C[C@@H]1C	2006565305	ZXPQXKSAZGBINH-VHSXEESVSA-N	245.323	-0.793	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(=O)NC[C@@H]1C	2010567210	BYRCJTTTWJVPLA-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CO)C12CCC2	2016078857	COGDOEOCLSBOAD-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@H]2COC[C@H]21	2017524354	CLSKGALDEXJRPK-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(F)c(O)c1	2020056108	HZROTXPJVNRPSW-UHFFFAOYSA-N	239.011	-0.171	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC12CCOCC2	2020057996	WNFYAFFOZVOCSA-SECBINFHSA-N	239.080	-0.513	50	10	BBGE	
O=c1c(B(O)O)cccn1CCC1(F)CCC1	2025241104	UAYRHPWRYXBJGE-UHFFFAOYSA-N	239.055	-0.190	50	10	BBGE	
CC(C)C(=O)N1CCc2cccc(B(O)O)c2C1	2032569689	MYYWHDSODLZVOF-UHFFFAOYSA-N	247.103	-0.093	50	10	BBGE	
CN(CCc1ncccn1)CC1(C(=O)NN)CC1	2033709041	VJDCDKAKVTWXAH-UHFFFAOYSA-N	249.318	-0.279	50	10	BBGE	
OB(O)c1ccccc1CN1CC(N2CCC2)C1	2034793430	KHYIYGDTLSAGNC-UHFFFAOYSA-N	246.119	-0.744	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)CC1	2047466040	NCGIUSFKQIMHMD-YTWAJWBKSA-N	249.314	-0.153	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@H]2C[C@@H]21	2052467505	RLOQYLNWDHDCAR-INTQDDNPSA-N	247.107	-0.219	50	10	BBGE	
COc1c(C(=O)NN)cnn1CC1CC1	2059975208	UPOXYUDHHWDLFK-UHFFFAOYSA-N	210.237	-0.095	50	10	BBGE	
COc1ccc(OC(F)F)c(C#N)c1B(O)O	2060304085	FGBPPSBOQGFOOZ-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
C[C@@H](Oc1ccccc1)C(=O)NCC#CB(O)O	2077481886	BKWXSLFVAQZPPK-SNVBAGLBSA-N	247.059	-0.415	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccccc1B(O)O	2079008025	CWBKCFUAXYZFOL-JTQLQIEISA-N	245.087	-0.102	50	10	BBGE	
CN1CC[C@H](COCc2cccc(B(O)O)c2)C1	2080316680	UJFYNFYSHKROMJ-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
OB(O)c1ccc(COCC2[C@H]3COC[C@H]23)cc1	2080347334	RRPRBHYGGBMYSC-CHWSQXEVSA-N	248.087	-0.225	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c(F)c1	2086989892	INFDWTHTNIQHGO-LNRQSERFSA-N	249.050	-0.066	50	10	BBGE	
CN1CC2(CCN2S(=O)(=O)CCl)C1	2209362920	BSADDTINFWSMKM-UHFFFAOYSA-N	224.713	-0.098	50	10	BBGE	
CN(CCCN)Cc1cccc(B(O)O)c1	2211133819	GTTOUVBJEOIACJ-UHFFFAOYSA-N	222.097	-0.853	50	10	BBGE	
O=C1COC[C@@H]2CN(C[C@H](O)CCl)CCN12	2211718256	PYRRKSZVSOHETP-DTWKUNHWSA-N	248.710	-0.871	50	10	BBGE	
C#CC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2212603438	GBHRTXQABFSHAJ-SECBINFHSA-N	219.049	-0.140	50	10	BBGE	
C#CCC(C)(C)Nc1ncccc1B(O)O	2212610185	DVAWCAXUFJUTKP-UHFFFAOYSA-N	218.065	-0.025	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2212610225	FIFNVQGZJFWTSQ-DTWKUNHWSA-N	221.069	-0.947	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@@H]3C2)c1	2212615612	RMHNLSDDZXQNOD-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
CC(C)C[C@H](N)CNc1cc(B(O)O)ccn1	2217175026	CCXZITMSEZKYCN-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC[C@H](O)C1	2217177934	PGWXQTSWAJEHDX-BDAKNGLRSA-N	236.080	-0.666	50	10	BBGE	
CC(C)[C@H](O)CNc1nccc(B(O)O)c1F	2217181399	PLRYUBVRZGKEGS-MRVPVSSYSA-N	242.059	-0.671	50	10	BBGE	
NCC1(CCOc2ncccc2B(O)O)CC1	2217182465	AZSGVNIFVHUFII-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCOC[C@H]2C3)nc1	2217183333	HLBNRYKWZYCKQP-KCJUWKMLSA-N	234.064	-0.648	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cn2)CCCOC1	2217197013	WQWMADAXAJNIKE-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
CC(C)N(CCC#N)c1ccc(B(O)O)cn1	2217198171	XQAXQMDQMUNLBJ-UHFFFAOYSA-N	233.080	-0.110	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CCO[C@@H]12	2217198740	FRNZQJAFQBDUJW-NQMVMOMDSA-N	234.064	-0.792	50	10	BBGE	
C[C@@H]1CNC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217199158	KKITVPXDPBBVLH-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNc1cc(B(O)O)ccn1	2217201847	ZYXULGIRNIYLGL-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]2(F)CCOC2)c1	2217205167	UUDQCOZPLMNRAC-JTQLQIEISA-N	240.043	-0.698	50	10	BBGE	
Cc1ccnnc1CNc1ncccc1B(O)O	2223637295	OXCQYIYBUNGJRP-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CN(C)C[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2223644211	GFCJELHEUMFGQY-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
OB(O)c1cccnc1N[C@]1(C2CC2)CCOC1	2223666294	IBKZNFOFLDRPKQ-GFCCVEGCSA-N	248.091	-0.258	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2223672798	HMYIXAVBVZHWSF-JGZJWPJOSA-N	249.123	-0.487	50	10	BBGE	
Cc1sc(C(=O)N(C)O)cc1B(O)O	2241474431	CTLFDBKSPGQVSR-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
Cc1cc(B(O)O)sc1CN(C)C#N	2241562953	WKODKKUCOUXOCU-UHFFFAOYSA-N	210.067	-0.351	50	10	BBGE	
CSC1CC(C(=O)NCB(O)O)C1	2241571555	WXOFXAWQGNCBAA-UHFFFAOYSA-N	203.072	-0.744	50	10	BBGE	
O=C(C#CB(O)O)NCC1(C(F)(F)F)CC1	2243362185	NFZBCJFJRCCMIP-UHFFFAOYSA-N	234.970	-0.540	50	10	BBGE	
CN(CCc1ccsc1)C(=O)C#CB(O)O	2243362463	RIBWNEQZPVMTMM-UHFFFAOYSA-N	237.089	-0.236	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243385961	RTQFXSFBYGBYIZ-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
C[C@H](O)C(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243391195	HQSOJOKIHKXAPJ-FXQIFTODSA-N	229.085	-0.628	50	10	BBGE	
CCOC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243395990	FUBSLPUELDGAKF-ABIFROTESA-N	227.069	-0.467	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CF)sc1B(O)O	2243398975	WCWIMCMMDTYGPE-LURJTMIESA-N	245.084	-0.176	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C1CCSCC1	2243403671	ATWDHLCTUDADKT-MRVPVSSYSA-N	241.121	-0.350	50	10	BBGE	
C#CC(C)(C)NC(=O)c1coc(B(O)O)c1	2243409825	PNZBQMRLELTCBT-UHFFFAOYSA-N	221.021	-0.899	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@H]1C(C)C)B(O)O	2243413033	YGJDOSYCMVCLIY-BDAKNGLRSA-N	247.125	-0.482	50	10	BBGE	
Cc1cc(C(=O)NCC2CC2)c(B(O)O)s1	2243415644	ZIKQRNPRSKPVQU-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
CCP1(=O)CCC(NC(=O)C(=O)NN)CC1	2243594485	QWKHZGOZJFWGSO-UHFFFAOYSA-N	247.235	-0.362	50	10	BBGE	
CC[C@@H](COC)Oc1cc(B(O)O)cnc1C	2246741480	HVKPKHCIOUEEOH-JTQLQIEISA-N	239.080	-0.126	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2C[C@H]2C1	2247732580	HTDIHIAXKAYICD-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ccoc1B(O)O	2247747200	KJBZXSJVHFOJGK-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@H](C2CC2)CC1	2247747300	LOKDMIVQTBMXAM-JTQLQIEISA-N	237.064	-0.971	50	10	BBGE	
O=C(Nc1ncccn1)c1ccsc1B(O)O	2247749708	YKGZYUQNPQXFKL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1n[nH]cc1B(O)O	2247781341	KDSWJFDJGZROIN-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
CC(C)(O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247792451	SNICDDWQVCFVHV-KYZUINATSA-N	243.112	-0.093	50	10	BBGE	
CN(C)C[C@@H]1C=CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247799224	AZKFPXNNSOEHKO-GUBZILKMSA-N	238.096	-0.822	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@H]1CCNC1	2247799512	DUZPOPKREKGMKP-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2COCC[C@@H]21	2247800569	QFLMZCDNMHXKAA-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2[C@H](C1=O)C2(F)F	2247806946	PEEDJWNELPTAEQ-ARQDHWQXSA-N	244.990	-0.901	50	10	BBGE	
CC[C@@]1(CNC(=O)C#CB(O)O)CCCCN1	2247848730	PPGPLUZARQIYHN-NSHDSACASA-N	238.096	-0.960	50	10	BBGE	
O=C(NCC(F)(F)F)c1cncc(B(O)O)c1	2247866293	JSWBPIVPBHHUKD-UHFFFAOYSA-N	247.969	-0.947	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2247877024	ATDYHYXWNANLCC-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1C1CC1)C1(B(O)O)CC1	2247878324	NOSHKKAJIRDYFE-IUCAKERBSA-N	239.080	-0.465	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247886770	GFKQRRVXGRBPCZ-JGVFFNPUSA-N	235.052	-0.736	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)[C@H]1C[C@H]1B(O)O	2247887112	KHXHZZKEPQSZGQ-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247896078	DUIHBSZIQCRIAE-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCCC[C@H]21)[C@H]1C[C@H]1B(O)O	2247899719	PRRKGYPCUUWCNN-MQIGXGKASA-N	238.096	-0.894	50	10	BBGE	
COC[C@@]1(C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248647236	OGFJDKBYDVSUFZ-PKIKSRDPSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1cc(B(O)O)co1	2249419690	KGQHJYRECNBVTN-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1cc(B(O)O)co1	2249420316	SCHNTEJNPYXNSK-BDAKNGLRSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1cocc1B(O)O	2249423384	JLSQHYPECXLGEY-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCC[C@H]2C[C@@H]21	2255523456	RUXQYMWMFWCYBF-WPRPVWTQSA-N	246.075	-0.614	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)n[nH]1)C1CC2(CC2)C1	2255553446	YYOFJVYNAAJWSM-UHFFFAOYSA-N	249.079	-0.896	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCc2n[nH]cc2C1	2255583192	LTNKQXLCGKTZJA-RKDXNWHRSA-N	249.079	-0.453	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)cc(B(O)O)c2F)C1	2255591129	PCIAPQXQARGXOL-UHFFFAOYSA-N	249.050	-0.174	50	10	BBGE	
CC1=CCN(C(=O)c2ncccc2B(O)O)CC1	2255716937	VWGXSIVGCLOOJN-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cccc(C)c1B(O)O	2255734775	HDQQTTTWPCEKOM-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255789320	FGCLBWAIZVYMMZ-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
Cc1cccc(NC(=O)C#CB(O)O)c1[N+](=O)[O-]	2255931964	UCTRCNMMOAGGPO-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
C=C(C)C(=O)N1CCc2cc(B(O)O)ccc2C1	2256637585	VNABWWTYHBXKKJ-UHFFFAOYSA-N	245.087	-0.173	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@@H](C)[C@H]1C	2257494478	ZBNCUXXKYPKSDP-RKDXNWHRSA-N	248.091	-0.450	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)c(F)cc1C	2258109453	VWCRQPBUIBRTMX-QMMMGPOBSA-N	249.050	-0.435	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368983	FEVVXKFJWAWXRO-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]1CO	2298370759	KVFRHHFNFJKOBY-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298463651	QBZQNGPALSKLDY-FWWHASMVSA-N	243.068	-0.534	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)N3CC[C@H](B(O)O)C3)C[C@@H]12	2303110362	ZMFOVKVHGSXHGO-WYOJIJJFSA-N	239.080	-0.513	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	2303426511	OUIQPQATKGWLJC-DTHBNOIPSA-N	241.335	-0.152	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303837086	VNNLDQUXVVIDTK-NKWVEPMBSA-N	242.059	-0.264	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@H]2CC[C@@H]1O2	2310073899	QPBWZZKONZEFNG-NGZCFLSTSA-N	249.075	-0.904	50	10	BBGE	
O=C(O)C=CCN1C[C@@H](Cl)C(=O)NC1=O	2316776169	WKSDGLBUDNKKTE-RXMQYKEDSA-N	232.623	-0.214	50	10	BBGE	
C[C@@]1(Nc2ccc(C=O)c(B(O)O)c2)CCNC1	2317349332	ASXMYAVNWLTEHH-GFCCVEGCSA-N	248.091	-0.657	50	10	BBGE	
COCCNC=C(C#N)C(=O)N[C@@H](C)C(=O)O	2324969241	FLAHDQQFYUUSDT-ZETCQYMHSA-N	241.247	-0.781	50	10	BBGE	
CC(=O)NNS(=O)(=O)CCCCl	36881964	TVKGOFPEWFJVPV-UHFFFAOYSA-N	214.674	-0.414	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1cccnc1	41125085	IGDUSBRQXGTMJZ-UHFFFAOYSA-N	215.234	-0.724	50	10	BBGE	
CC[C@H](C)N(CCOC)C(=O)C(=O)NN	42597269	WVRZZECAWZUYOO-ZETCQYMHSA-N	217.269	-0.750	50	10	BBGE	
N[C@H](C(=O)O)[C@H](Br)C(=O)O	75621032	MCPPBWSVIISNCP-LWMBPPNESA-N	211.999	-0.754	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCO[C@@H](CO)C1	88091693	TXWYNWZUMPLAIE-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NCCCl)C[C@@H](C)O1	170331613	OHSCAVWBAXTCJE-HTQZYQBOSA-N	248.710	-0.023	50	10	BBGE	
Cc1cc(COc2ccc(B(O)O)cc2)n(C)n1	203651286	UOYTVUOWGHHTOK-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
N#C/C(=C/N1CCCC1)C(=O)N1CCNCC1	216966239	ANZKLPBUOSZZJM-KHPPLWFESA-N	234.303	-0.079	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C[C@@H](Cl)C#N	228520093	QAHJEHSBRSUCHE-NKWVEPMBSA-N	229.667	-0.146	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCC1	232418907	LKKQWUVKTWOPCZ-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
COCCCS[C@H](COC)C(=O)NN	232421628	MDYMLSZBLBTGGO-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)N1CC(=O)OC(=O)C1	235390450	JPCFTVWCZJINOB-OIBJUYFYSA-N	213.233	-0.061	50	10	BBGE	
Cc1cnn(Cc2ccoc2C(=O)NN)c(=O)c1	235966810	HKVSKEKIXLOXGV-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
Cc1nc(N)c2ncn(C[C@H](O)C#N)c2n1	238523318	ZJOPGISITJHXIJ-ZCFIWIBFSA-N	218.220	-0.399	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H]1COC[C@H]1Cl	307588744	YJPYHSJHLBPGOY-PHDIDXHHSA-N	228.701	-0.611	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)CBr	308112257	KQXKXLHKVDJQJJ-LURJTMIESA-N	240.097	-0.417	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCC)CC(N)=O	309327888	IKPBYUSRVQESFM-MRVPVSSYSA-N	230.312	-0.658	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)CC1CNC1	309483047	FGSPBESGSRMXGX-XPUUQOCRSA-N	211.265	-0.601	50	10	BBGE	
CN1CC[C@@H](N(C)CC(C)(C)C(=O)NN)C1	390257972	MTNDKLHWGYIXDK-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
CC(CO)(CO)CNC(=O)CBr	393897095	RDRAQBMZNRYMAG-UHFFFAOYSA-N	240.097	-0.512	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@](C)(O)C1	395812256	LRLUMOGRTCGRGC-KWQFWETISA-N	229.324	-0.152	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)ccc1S	396020949	DSMRPYBAHYDTCF-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
COC(=O)Cc1cccc2nc(B(O)O)oc12	396113883	OGIHLUQMFXTFNV-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
Cc1ccc(NC(=O)c2cc[nH]n2)c(B(O)O)c1	404981025	IUZZYRRXPWAHAW-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@H](C(F)F)CC1	686836712	IIDQONNWSCFDBG-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
C[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1N=C=O	693473640	FVHKCWFVXXXZAL-IUCAKERBSA-N	247.320	-0.161	50	10	BBGE	
COCn1nc(B(O)O)c2ccccc21	694979942	IBZPZUNEBYBXPA-UHFFFAOYSA-N	206.010	-0.680	50	10	BBGE	
OB(O)c1cccc(CN2[C@H]3CC[C@H]2COC3)c1	695043970	AIHAWOCTEWPDNZ-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
O=C(/C=C\c1cccs1)NCB(O)O	702030713	RBYZFDFSLNSYNC-ARJAWSKDSA-N	211.051	-0.111	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@@H]1C(=O)O	703093374	ZIISOFNFHMTFLB-RITPCOANSA-N	217.225	-0.996	50	10	BBGE	
Cc1ccnc2nc(C(=O)N(C)N)nn12	704676202	KXUCSFISFAFXGZ-UHFFFAOYSA-N	206.209	-0.622	50	10	BBGE	
C#C[C@@]1(O)CCCN(S(=O)(=O)CCl)C1	708105086	VGKIKDMQPXYVTM-MRVPVSSYSA-N	237.708	-0.027	50	10	BBGE	
C[C@@H](c1cnn(C)c1)N(C)CC(=O)NN	710157067	KEQGHRMGHMNTNW-ZETCQYMHSA-N	211.269	-0.597	50	10	BBGE	
COC(=O)[C@H](Cl)CNCCn1cnnn1	712593572	ZVLYEYIYMNYVOC-ZCFIWIBFSA-N	233.659	-0.957	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN2CCC1CC2	722806339	LOANSXXHSRALGQ-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCCN1CCN2CCC1CC2	722808692	CJJFVNXHLFCSET-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC(=O)NC[C]1SC=C[C@@H]1B(O)O	725595813	DIDJIEDBXHZCHE-LURJTMIESA-N	200.048	-0.242	50	10	BBGE	
O=C(NNc1cccnn1)c1cc(=O)cc[nH]1	1152085340	HVDVPAZKCBHNHB-UHFFFAOYSA-N	231.215	-0.078	50	10	BBGE	
O=C([C@H]1CC12CC2)N1CC[C@@H](B(O)O)C1	1351729889	QANYLPWJAQPPCQ-HTQZYQBOSA-N	209.054	-0.138	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(Cl)nc1N	1442128683	DIXUKTAXSKERDB-UHFFFAOYSA-N	243.654	-0.109	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)C1(CO)CC1	1473459280	JBCRPZJHRGZHST-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@@H]1COC(=O)C1	1542404455	IWCVMPBUFVVTRL-ZETCQYMHSA-N	243.263	-0.320	50	10	BBGE	
CCC[C@H](O)C(=O)NNC(=O)c1ncccn1	1626776693	XIDCREJGYFSAPC-ZETCQYMHSA-N	238.247	-0.601	50	10	BBGE	
O=C(NNC(=O)c1cnco1)c1ncon1	1636447933	NTCCBPJUKARTCZ-UHFFFAOYSA-N	223.148	-0.868	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H](C(=O)NNC(=O)CO)C1	1638526187	GWICZFCDJYCLRJ-DTWKUNHWSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C[C@@H](Cl)C#N	1882314654	CEZZSEGWFVSDHJ-RQJHMYQMSA-N	201.657	-0.062	50	10	BBGE	
NCCN(CCO)C(=O)[C@@H]1C[C@@H]1Cl	1883644923	KJPKRORAACOXSC-RQJHMYQMSA-N	206.673	-0.607	50	10	BBGE	
O=S1(=O)C[C@@H]2CN(CCCl)C[C@H]21	1887083367	CFZUCPSVPZIAGU-NKWVEPMBSA-N	209.698	-0.046	50	10	BBGE	
CS(=O)(=O)[C@H]1CC[C@@H]1NC(=O)CCl	1891676466	JHDGFBYPTSBQAN-WDSKDSINSA-N	225.697	-0.083	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1893452088	BHYNMNPQXBSCGA-CSMHCCOUSA-N	220.700	-0.348	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)C1=O	1893845681	AUQRITQIZNLSDW-ZETCQYMHSA-N	214.269	-0.488	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1895091698	WJNHNYXWCXDFNO-OXQWBGKKSA-N	245.348	-0.935	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1895229344	POCRWCJNHGKWGY-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1C(Cn2cccc(B(O)O)c2=O)[C@@H]1C	1895754789	KIAOEEKGJBAPBD-HTQZYQBOSA-N	221.065	-0.570	50	10	BBGE	
C=C(C)CN(C)C(=O)c1cnsc1B(O)O	1900466083	ARJODSBWRUPSKB-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCNC1=O	1900535795	WQWHFCAEUIXMCU-SFYZADRCSA-N	226.280	-0.582	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@H]2CC[C@@H]2C1	1905583862	KRUHVGDWEDSCSV-BBBLOLIVSA-N	238.096	-0.003	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1906341854	YFNCNEZRCHKFJS-JBLDHEPKSA-N	241.335	-0.295	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1F)c1ccccc1B(O)O	1910489058	LAPTVBCXNVUOPW-XVKPBYJWSA-N	237.039	-0.546	50	10	BBGE	
COC[C@@H](OC1CC=CC1)C(=O)NN	1913343079	HISNXPFQFSMOJL-MRVPVSSYSA-N	200.238	-0.274	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@H](O)CCl	1913843719	RUCQFDRTNGXHQF-ZCFIWIBFSA-N	215.702	-0.132	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1COC1	1915650518	OLGBWXFPNXXHOM-UHFFFAOYSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCOCC1	1928158017	YVXADJSFJJDSQD-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)COCCSC1CCOCC1	1928181643	PECGCPFWCXIZLS-UHFFFAOYSA-N	234.321	-0.095	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]1CO	1929739874	BPZZRRFHSVENFN-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C#CCN(CCO)S(=O)(=O)CCCCl	1933489846	MNWVDZQHZVIVQW-UHFFFAOYSA-N	239.724	-0.127	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936085276	PZUDITYXXQKIAH-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc(Cl)cnc1=O	1936088949	ALFSEMLSFVJAON-CAHLUQPWSA-N	242.666	-0.477	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)CCO1	1936089172	AREYNLKQYHUSRZ-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)Cn1cnnc1	1937140526	GIXVWWMCRSRSLH-LURJTMIESA-N	246.654	-0.825	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC(F)(F)CO	1938128990	YEQFGEJONOIIRH-BQBZGAKWSA-N	239.266	-0.440	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@@H](O)C[C@H]1C2	1941085886	FWYUCADZTIGZJH-RCZSTQMZSA-N	239.319	-0.542	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCCC[C@@H]1O	1941088371	PXNYNAYTNZRCJY-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@]1(C)CCN(CCOCC(=O)NN)C1	1941782863	YMABQRDHFSVWIJ-NSHDSACASA-N	245.323	-0.649	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@]2(CO)C1)C(=O)NN	1942496069	VVXGXGUKFOJXHY-BXKDBHETSA-N	241.335	-0.293	50	10	BBGE	
CN1CC[C@@H]2CCN(CCC(=O)NN)C[C@H]2C1	1944029546	NEPFUVFHTQXUDD-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
C[C@]1(CO)CCCN(CC2(C(=O)NN)CC2)C1	1945883156	UVQFRIFNAZTLQM-NSHDSACASA-N	241.335	-0.149	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)O)CN(C(=O)NN(C)C)C1	1950034118	SCVDRBFYZFNXAE-YUMQZZPRSA-N	245.279	-0.406	50	10	BBGE	
COc1cc(OC)c([C@H](N)[C@H](O)C#N)cn1	1952957038	SGILYVJRLBCGGX-XCBNKYQSSA-N	223.232	-0.017	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]1CN(C)C	1955569459	NPKGSEPKOJNIBZ-HTQZYQBOSA-N	200.286	-0.999	50	10	BBGE	
COC1(CN(C)[C@H](C)C(=O)NN)CC1	1956525128	IRFYDVQMBQOHPW-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CNNC(=O)[C@H]1C[C@H](OC)[C@H](OC)C1	1957300828	FKESVGLKXZJLKQ-WHUPJOBBSA-N	202.254	-0.323	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ccon1	1958699559	OIMISEDEQICPFQ-ZETCQYMHSA-N	212.253	-0.125	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]1CN(C)C	1958805369	RHDSPJUUZVGLKX-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CN1[C@H]2CCC[C@H]2C[C@@H]1CO	1960135075	PWRDVTFGVFIFMM-YIZRAAEISA-N	213.281	-0.788	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@@H](O)CCl)CC[C@H]12	1960147071	BFZNNHQKKUKFSM-VGMNWLOBSA-N	232.711	-0.346	50	10	BBGE	
C[C@H](CN1CCN(C)[C@@H]2C[C@@H]21)C(=O)NN	1960968095	RYNKQQMEHXUMOA-HLTSFMKQSA-N	212.297	-0.999	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@]12CC2(F)F	1961596818	KVPBSDADCVOXPX-HTRCEHHLSA-N	219.235	-0.047	50	10	BBGE	
CC[C@H](COC)Oc1nc(B(O)O)cs1	1961697128	UYXCPUUNPZSKTN-ZCFIWIBFSA-N	231.082	-0.373	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(C)(F)F)C(=O)C(=O)NN	1978614536	OYNOPWFIOGVEBN-PHDIDXHHSA-N	235.234	-0.274	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)[C@@H](F)C1	1983560424	UNJJAEAJMWUAGO-JBDRJPRFSA-N	233.287	-0.737	50	10	BBGE	
CO[C@H]1CCC[C@@H](CNC(=O)C(=O)NN)C1	1985919338	KZEYNAYKYYNJSR-SFYZADRCSA-N	229.280	-0.702	50	10	BBGE	
CC(C)C(=O)N[C@H](C)c1nscc1B(O)O	1987174804	JHCTWOQWIPMLTA-ZCFIWIBFSA-N	242.109	-0.344	50	10	BBGE	
O=C(NNCCO)c1ccn(C2CCC2)n1	1987227915	KUBQXEXKXBEMEO-UHFFFAOYSA-N	224.264	-0.165	50	10	BBGE	
CN1C[C@H](C(=O)NC[C@@H]2C[C@H]2Cl)NCC1=O	1991431714	GMVLWIOGSJKGFB-XLPZGREQSA-N	245.710	-0.840	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@@H]2[C@@H]1CCl	1992526082	CMVHXCJJRDPXKG-FXQIFTODSA-N	241.682	-0.241	50	10	BBGE	
OB(O)c1cccnc1Sc1ccnnc1	1992767385	RZJSNACJIXQPKO-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]1(C)CSCCO1	1993432672	WOJWCSQOTLYKQJ-WCBMZHEXSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998137167	IVAVNJKLLVUQNN-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)CC[C@H]1CO	2000985651	YTMWDGLZYDBMNY-YTWAJWBKSA-N	243.351	-0.049	50	10	BBGE	
COCC[C@H](COC)N(C)[C@@H](C)CC(=O)NN	2001426671	LLRHRKUQSULUIX-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
C[C@H]1[C@H](C)CN1Cc1c(C(=O)NN)cnn1C	2003506425	TZOUGBWXIWSRPB-SFYZADRCSA-N	237.307	-0.136	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1[C@H](C)CC(=O)NN	2003620068	XZWDOJHGDWIHQP-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)C(C)(C)C1	2004917430	WJMBVOMMJGMHOS-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CN(Cc1ncn(C)n1)CC(C)(C)C(=O)NN	2008806728	HPCCJZKTVDKNFR-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@H]2C[C@H]2CO1)C(=O)NN	2009369254	VBQOQACVXVFBIF-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]12C[C@@H](CO)C2	2011116364	NLDTYHKTJXZDFL-HOMQSWHASA-N	241.291	-1.000	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](C2(O)CC2)C1	2013930078	IADPQDNLGRKNNB-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1COCCOC1	2014494094	ASJSOLVPTIQLMN-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
Cc1ocnc1C(=O)N[C@@H]1CCC=C1B(O)O	2020063654	YGUZUTPDNVFECQ-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccccc1B(O)O	2022200223	QBCYTNOYQNWKRI-GZMMTYOYSA-N	233.076	-0.153	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	2022543266	FIHHCBTZGWHZJN-ZJUUUORDSA-N	235.092	-0.180	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H](N)CCC(N)=O)CC1	2025604731	OJOCMNUEZNAICK-SECBINFHSA-N	236.275	-0.739	50	10	BBGE	
Cc1ccc(CN(C)C2CN(C)C2)cc1B(O)O	2028803464	BSDMODQHDHIROG-UHFFFAOYSA-N	248.135	-0.579	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@H]2CO)nc1	2056278163	VFHVDDMYTXLKOJ-NSHDSACASA-N	248.286	-0.582	50	10	BBGE	
N#Cc1c(Cl)cc(C=O)cc1B(O)O	2060093572	ZCBOOQOYAPSPLG-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1ccc(B(O)O)c(C#N)c1[N+](=O)[O-]	2060305593	OPHKIPYNQZJOPW-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
C=CCCC(=O)NCCc1cccc(B(O)O)c1	2084672620	MOFACSGDTHYWEV-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)nc1	2086995910	UXBPAVHULSZRIG-OPVFVPONSA-N	244.059	-0.955	50	10	BBGE	
COC[C@H](CCl)N=c1[nH]ncn1C	2209272425	YEQHNMQTXKSHOZ-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2212605911	LTUZFNYENGMZOA-DTORHVGOSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCC[C@@H]2O)c1	2212615317	NEHNHYVAHYYFGC-BDAKNGLRSA-N	222.053	-0.913	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1cc(B(O)O)ccn1	2212615421	ORWTUFHXHXAMQI-DTWKUNHWSA-N	222.053	-0.649	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C(=O)O1	2214598518	IAAZYLKYWFEILA-QMMMGPOBSA-N	235.048	-0.293	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]1(F)CCOC1	2216338274	OOTCQTPYLUZVCG-IQJOONFLSA-N	245.298	-0.327	50	10	BBGE	
C[C@@]1(CO)CCCN1CC1(C(=O)NN)CCC1	2216534637	QAQVBIYFVPHMIU-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)c1cc(B(O)O)ccn1	2217172518	KVHWKFMCFFFVME-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
Cc1cnc(N2C[C@H](O)C[C@@H]2C)cc1B(O)O	2217179650	AODYUDNPBNUREJ-DTWKUNHWSA-N	236.080	-0.971	50	10	BBGE	
OB(O)c1ccnc(NCc2cc[nH]n2)c1F	2217184505	PHKZPCZQHSKSDG-UHFFFAOYSA-N	236.015	-0.764	50	10	BBGE	
OB(O)c1ccnc(NCc2cocn2)c1F	2217187160	UKVXTURDMWZKIH-UHFFFAOYSA-N	236.999	-0.499	50	10	BBGE	
CCN(CC)CCNc1ncccc1B(O)O	2217202740	LJXHCTZLMPRVBP-UHFFFAOYSA-N	237.112	-0.485	50	10	BBGE	
CCc1cnc(CNc2cc(B(O)O)ccn2)[nH]1	2223636285	IAVYUDOUNVYMRS-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)nn1C	2223648595	NIXQAXBNTNJZNG-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1c1ncccc1B(O)O	2223654337	ZVBFVKOVBOQZOR-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@H]2OCCC[C@H]12	2223669188	HBHCPJDZTZWHES-KKZNHRDASA-N	248.091	-0.402	50	10	BBGE	
CN1C[C@H](Nc2ncccc2B(O)O)C(C)(C)C1	2223671145	IERBSNIGWRNALA-JTQLQIEISA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCC[C@H]1NCC2	2223671425	LTGUHUNPGUGCPH-ZYHUDNBSSA-N	247.107	-0.542	50	10	BBGE	
O=C(NC1CC(O)(CO)C1)[C@@H]1C[C@H]1Cl	2241592279	JGZNHIZMUSJGQZ-KYRXRGEHSA-N	219.668	-0.384	50	10	BBGE	
C#CC1(N(C)C)CN(C[C@H](O)CCl)C1	2242278549	QNTDVDOKKWVTAB-SECBINFHSA-N	216.712	-0.165	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)C1(B(O)O)CC1	2243359610	UXIODSJBRMKRGJ-GJMOJQLCSA-N	225.053	-0.856	50	10	BBGE	
NC[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2243363542	IMFCNXDWIDQICC-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
O=C(N1CCO[C@@H](CF)C1)C1(B(O)O)CC1	2243364689	AVYGNPQXVIPSNX-ZETCQYMHSA-N	231.032	-0.810	50	10	BBGE	
CS[C@@H](CO)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243365343	LEYASKONCKPVSO-RQJHMYQMSA-N	247.125	-0.778	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NC[C@H](C)F	2243386407	ZRAOUVHVYMQKDC-BYPYZUCNSA-N	246.072	-0.781	50	10	BBGE	
O=C(NCC12CC(CO1)C2)[C@H]1C[C@@H]1B(O)O	2243391256	IIKAUPRNIALZMF-VHSUDJNHSA-N	225.053	-0.856	50	10	BBGE	
O=C(NCCN1CCCC1)[C@H]1C[C@@H]1B(O)O	2243396662	PGOKGTKTGHQYMY-IUCAKERBSA-N	226.085	-0.939	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)C1CC(B(O)O)C1	2243397139	WIUJXBREPQNWLF-UHFFFAOYSA-N	225.053	-0.223	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)s1	2243407658	WVVONYYTLZLSKD-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(NO[C@@H]1CCOC1)[C@H]1C[C@@H](B(O)O)C1	2243413893	PIFGZYLCUSJYIB-GJMOJQLCSA-N	229.041	-0.924	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(CCO)C1CC1	2243425873	BVZUQEZORMNJAA-ZKCHVHJHSA-N	227.069	-0.777	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2243426454	IJNQQVYBRSSAKG-BGZDPUMWSA-N	227.069	-0.874	50	10	BBGE	
C#CCC(=O)NCc1cc(C)c(B(O)O)s1	2243669961	XSXNCFBEABNJQR-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2244214100	NNPRRNIVPHUCJW-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCCO1	2244216358	JITLZGDMUNVNMC-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
C[C@H](O)CN(CC(C)(C)C)C(=O)C(=O)NN	2244914480	QFMNITNVZFYKSW-ZETCQYMHSA-N	231.296	-0.768	50	10	BBGE	
N#Cc1sccc1Cn1cc(B(O)O)cn1	2245891003	SYOMADOZMSZYGM-UHFFFAOYSA-N	233.061	-0.456	50	10	BBGE	
O=C(NCB(O)O)c1ccncc1C(F)(F)F	2246337625	GULYMIDEZFXKNR-UHFFFAOYSA-N	247.969	-0.158	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)CN(C)C2	2246816861	DNKACYXHSBFSBB-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1ccncc1B(O)O	2247721725	HBSBIZKNNGVIEA-QMMMGPOBSA-N	236.080	-0.464	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC=CCC1	2247747286	LEBYAEMYOKTJJO-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cn(C)c(B(O)O)n1	2247748150	YUJOQMZVWHYHOA-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CO2)C1(B(O)O)CC1	2247757215	PIOPNIRRMWNCFC-XHNCKOQMSA-N	239.080	-0.323	50	10	BBGE	
O=C1[C@@H]2CCC[C@@H]2CN1C(=O)C1(B(O)O)CC1	2247759228	ZXQIQZAVMWVLLK-HTQZYQBOSA-N	237.064	-0.222	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n(C)n1	2247785518	LVVIMQPMDUQGCE-OCAPTIKFSA-N	237.068	-0.080	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786992	JREOXXDRZUXZBI-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787578	QSXHSEIERMRUSU-QEYWKRMJSA-N	241.096	-0.389	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@H]1C[C@@H]1B(O)O	2247798559	VLFLVMJKPAOREM-IUCAKERBSA-N	235.052	-0.702	50	10	BBGE	
CN(C)C1(CNC(=O)C2CC(B(O)O)C2)CC1	2247798985	YWAASXDWTQYUJR-UHFFFAOYSA-N	240.112	-0.550	50	10	BBGE	
N[C@@H]1CC12CC(NC(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247804514	HBLDPVUMLKPRFQ-GHVKHHFRSA-N	238.096	-0.765	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1O	2247807802	JJBLFDQVFVVYAE-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CO[C@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247807912	SCXWCQYPFXKNQY-WCABBAIRSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C(C)(F)F	2247870430	JPSPJIFOTFZOGI-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NC(C)C	2247875250	XCUVQGVNFPAPGX-UHFFFAOYSA-N	238.096	-0.284	50	10	BBGE	
C[C@H]1CNC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877017	ANTUHCJCULZIHP-IUCAKERBSA-N	240.112	-0.645	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1occc1B(O)O	2247877300	FZIPRJOTVFTQKF-SECBINFHSA-N	237.064	-0.170	50	10	BBGE	
CCOCCNC(=O)c1cc(C)c(B(O)O)o1	2247892024	SDYODBQJBLSMBE-UHFFFAOYSA-N	241.052	-0.966	50	10	BBGE	
O=C(NC[C@H](O)C1CCC1)[C@H]1C[C@H](B(O)O)C1	2247899275	LZFREVDTFKLASU-GUBZILKMSA-N	241.096	-0.483	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cscn1	2248408169	PSZIIGSEXMKILC-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1c(NC(=O)C#CB(O)O)cccc1C(N)=O	2255468651	DVQARFNIYYIOAB-UHFFFAOYSA-N	246.031	-0.952	50	10	BBGE	
Cc1cccc(NC(=O)c2occc2B(O)O)n1	2255488821	KKDKICLRSJITLB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C=C1CC(CNC(=O)c2ccc(B(O)O)cn2)C1	2255516918	RKDADNBRBWRKOO-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1cc(B(O)O)c[nH]1	2255670471	FWMOTZHWJHFNGM-UWVGGRQHSA-N	248.091	-0.387	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2occc2B(O)O)C1	2255738002	MIZRMKDRRVXMAK-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255742497	BVTVEBKXBZJJQD-SECBINFHSA-N	249.075	-0.038	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1occc1B(O)O)C2	2255743383	NWEMIOKPWHRXGP-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
O=C(NCCC1CC1)c1cc(B(O)O)ccc1O	2256016507	JFCYVZDLQAQRQK-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1cc(B(O)O)co1	2258125545	RJNDVUDFXBGVIH-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1cocc1B(O)O	2258143775	JOLICWXRPORKEW-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(C)c(B(O)O)c1	2258287007	ODJJSGXOMJGSAF-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962533	DICTTYYUIYLCIG-NZHYYXIDSA-N	241.335	-0.296	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)CC12CC2	2298368476	GWSJHOMPQVLLQK-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2298371464	LXQUNPTXSODSLM-VFCFLDTKSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]1C2	2298376963	ZLDQMYNVKGRMBA-OEZYJKACSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298463615	OSTFZBNIYPUDNW-OSMVPFSASA-N	241.052	-0.829	50	10	BBGE	
C[C@H](CO)CN(C)CCC[C@H]1C[C@H]1C(=O)NN	2300370763	NEUAFGCYTCLFGJ-GARJFASQSA-N	243.351	-0.047	50	10	BBGE	
C#C[C@@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2301420167	AYSDEGOFCMJLKZ-SNVBAGLBSA-N	229.044	-0.609	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303107386	YEUSJJMWXQHOEY-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CC[C@@H]3CNC[C@@H]32)c1	2312614536	UBGDALLQAGKXJR-MIMYLULJSA-N	248.091	-0.862	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	2312858676	SSKSOOPBRMNEAJ-BBFNFCGLSA-N	247.103	-0.182	50	10	BBGE	
CCC[C@@H](O)CNc1ccc(B(O)O)cc1C#N	2317150179	BPWIJLPBSQIAHH-LLVKDONJSA-N	248.091	-0.189	50	10	BBGE	
CN(C)C(=O)CN(C)C(=O)NC(=O)CCCl	37271920	FXZUXYCSLUIBNZ-UHFFFAOYSA-N	249.698	-0.129	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1CCNCC1	86313660	YGTDQYQAFSRHQP-DTWKUNHWSA-N	228.340	-0.315	50	10	BBGE	
COCCN(CCC#N)[C@H](C)[C@H](C)C(=O)NN	93071885	IMYDOOZTFGHAOB-VHSXEESVSA-N	242.323	-0.137	50	10	BBGE	
CN1CCC[C@@H](CN2CC(=O)OC(=O)C2)C1	111218117	PZFLOZIMOJHYAE-SECBINFHSA-N	226.276	-0.286	50	10	BBGE	
C[C@H]1CCCN(c2cnc(B(O)O)cn2)C1	198083501	LDFHESCYFKCMOC-QMMMGPOBSA-N	221.069	-0.607	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)[C@@H]1CO	227214738	ZOJHLBXCHZWNTM-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCC1(O)CN(S(=O)(=O)CCl)C1	233004707	JOFKTAWVXSAATI-UHFFFAOYSA-N	213.686	-0.031	50	10	BBGE	
COC[C@H](OCCC(C)(C)OC)C(=O)NN	234712413	PPARDPQMVKVHRC-QMMMGPOBSA-N	234.296	-0.177	50	10	BBGE	
COc1c(B(O)O)cnc2ccccc12	238437084	XYIVDCIQMQLOGI-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
N[C@@H](CF)c1ccc(B(O)O)cc1F	238573405	SYUVMQDORMVCJU-QMMMGPOBSA-N	200.981	-0.525	50	10	BBGE	
NNC(=O)CNC(=O)OCc1ccco1	238657478	INZDCQFOJGKCAH-UHFFFAOYSA-N	213.193	-0.504	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCC[C@H]1N=C=O	251039402	NTSBLJODQUMQKE-YUMQZZPRSA-N	229.261	-0.014	50	10	BBGE	
O=[N+]([O-])c1c(Br)ccnc1B(O)O	306620977	YMWBLWFMXBARRL-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
Nc1c(B(O)O)sc2c(O)cccc12	306737755	ROOQNDVZYOFXQK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1cc(B(O)O)c2sccc2c1N	307531418	UVBVATMJDLCPSM-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@@]1(C(=O)NN)CCCN1C(=O)C1CC1	308871659	MYDBJOVXVIDXQY-JTQLQIEISA-N	211.265	-0.233	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)c1ccoc1	309410525	INDQJRUXMYWNNT-LURJTMIESA-N	211.221	-0.222	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](CO)CC1	378814277	AXXJYURTZJLMAG-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccc(N2CCCC[C@@H]2O)cc1	381552943	NHJIUDVJGHEKQC-NSHDSACASA-N	221.065	-0.325	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1[C@H](C)CC(=O)NN	384912723	QAOBXDGEBDTPCC-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
CC(C)(CCOC1COC1)C(=O)NN	395808883	JWMZSPMQCSLLGU-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(/C=C/C(=O)O)c1	396134578	BLUCRPFGCFTYRO-HWKANZROSA-N	248.043	-0.404	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1CC#N	396139267	RNQYKQUXCOGYDE-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
N#Cc1cc(B(O)O)c2c(CO)csc2c1	396223215	OIXNCMTWGYFGOV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
N#Cc1ccc2c(CO)c(B(O)O)sc2c1	396227244	SWAAWWFJWUZGBJ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCC[C@H](SCCC(N)=O)C(=O)NN	399141945	ACPLQLNTKAMVGW-LURJTMIESA-N	219.310	-0.246	50	10	BBGE	
COC(=O)NNC(=O)c1ccc([N+](=O)[O-])cn1	495448686	QOGRPLZGWLDUKQ-UHFFFAOYSA-N	240.175	-0.009	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)cc1	585000820	OARRFJJHHPWHPL-PEGIJTEDSA-N	245.087	-0.105	50	10	BBGE	
NNC(=O)C[S@](=O)CC(=O)OC1CCCC1	586371938	AMBJDJWXPNDTHP-INIZCTEOSA-N	248.304	-0.789	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C(=O)NN)CS1	606286699	SMFMYDMTAKXTDR-RITPCOANSA-N	217.294	-0.623	50	10	BBGE	
C[C@@H](CN)SCC(F)(F)C(=O)NN	685958115	PEMIFCHXYPDANY-BYPYZUCNSA-N	213.253	-0.308	50	10	BBGE	
C[C@@H](CN1CCC[C@](C)(CO)C1)C(=O)NN	688027504	VMJJYQYWWUWRGO-ONGXEEELSA-N	229.324	-0.293	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1C[C@@H]1OC	689961790	QXNXPMCALXQPKC-QYNIQEEDSA-N	235.667	-0.082	50	10	BBGE	
COC[C@@H](CN(C)C[C@@H](C)C(=O)NN)OC	691284643	DUATXHRERCSZKA-RKDXNWHRSA-N	233.312	-0.794	50	10	BBGE	
CC[C@H](Cl)CNC(=O)c1nnn(C)n1	697205180	YYBAWHIWHCFKSS-YFKPBYRVSA-N	217.660	-0.043	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@]12COC[C@@H]1C2	703444237	NVPQAQBZCUZCJN-FNOROQBZSA-N	237.255	-0.061	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C=C[C@@H](N)C2)CC1	709386643	RFFBMGVBWPXZIX-VHSXEESVSA-N	235.287	-0.233	50	10	BBGE	
CC[C@]1(O)CCCN(CCCC(=O)NN)C1	710211848	ZGXRXLWJGSKPEX-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1NCCn1cnnn1	712537771	IWWBSISDNZBMGW-RQJHMYQMSA-N	217.660	-0.731	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@]1(C)CO	723001605	ZCFMTAZDVRDYBZ-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@]1(C)CO	723024161	UGUJTZHKNQWHRJ-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC[C@@H]1C(N)=O	757145886	LZNUNNRZBOFIJO-CRCLSJGQSA-N	233.655	-0.591	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)O)C1	832750030	RVIABTHRCLHMDI-JGVFFNPUSA-N	244.291	-0.280	50	10	BBGE	
CO[C@H]1C[C@@H](CNCc2ccc(B(O)O)cc2)C1	863892385	VEWMHVZXWXGKBY-BJHJDKERSA-N	249.119	-0.119	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H](C)O[C@@H]1C	864426913	CYNHYUDJGSAVFL-SHYZEUOFSA-N	200.238	-0.033	50	10	BBGE	
C#CC[C@@H](COC)NC(=O)NN(C)C(=O)OC	875927418	KNJSNPUUKDKZHR-QMMMGPOBSA-N	243.263	-0.063	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccn2nccc2n1	910183989	OWYTXJKNTAWGJV-QMMMGPOBSA-N	249.274	-0.313	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccnc(F)c2)n1	1138149574	QKXDTZWWWHTWMR-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
Cc1cc(C(=O)NNc2nccn(C)c2=O)no1	1160934680	RDPBTPHKJCQJSG-UHFFFAOYSA-N	249.230	-0.166	50	10	BBGE	
Cn1cncc1C(=O)NNc1cnnn1C	1161391620	MAKFTYRZJHFJNV-UHFFFAOYSA-N	221.224	-0.695	50	10	BBGE	
CC(C)(C(=O)O)C(=O)N1CC[C@H](B(O)O)C1	1329215034	MMYHQOUQDXZIMI-LURJTMIESA-N	229.041	-0.828	50	10	BBGE	
Cc1cc(C(=O)NN(C)C(N)=O)cnn1	1466168242	ULTNHUQTXCVUKV-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1cccc(B(O)O)c1	1540556657	PFELFFIJZMPMNR-UHFFFAOYSA-N	242.043	-0.564	50	10	BBGE	
CC(=O)c1cncc(C(=O)NN(C)C(N)=O)c1	1623319909	HGLIFJXGCDEZHO-UHFFFAOYSA-N	236.231	-0.061	50	10	BBGE	
O=C(CN1CCCC1=O)NNc1ccncn1	1635929684	YIZAFMLKFARDAO-UHFFFAOYSA-N	235.247	-0.458	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1cc(F)c[nH]1	1638295783	CTJBMWAKYCFNDA-UHFFFAOYSA-N	228.227	-0.524	50	10	BBGE	
NCCONC(=O)[C@@H]1C[C@@H]1Br	1877392537	WNYUMTSFGXFFRA-UHNVWZDZSA-N	223.070	-0.224	50	10	BBGE	
CNNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C	1880022653	GJOYJAUIVBYXEG-NKWVEPMBSA-N	247.295	-0.489	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H](Br)C1	1880964165	GKFWFLQJNVBHPI-ZXZARUISSA-N	236.069	-0.982	50	10	BBGE	
O=C1C[C@H](NC2CC(Cl)C2)C(=O)N1	1881719623	UAYWFDCDZQJWSG-WRVKLSGPSA-N	202.641	-0.239	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1O)[C@H]1C[C@@H]1Cl	1883645236	NAUZNQOKFLYNGP-YTLHQDLWSA-N	205.641	-0.510	50	10	BBGE	
OC[C@]12C[C@H]1CN(C[C@@H](O)CCl)C2	1883942755	KVUJUNARAUNDFZ-XHNCKOQMSA-N	205.685	-0.100	50	10	BBGE	
COC1CN(CCNC(=O)CCl)C1	1888895541	QFNGZXOYSHYFEH-UHFFFAOYSA-N	206.673	-0.328	50	10	BBGE	
C#CCONS(=O)(=O)CCOCCCl	1889159214	MXKZMDZPSODOHS-UHFFFAOYSA-N	241.696	-0.274	50	10	BBGE	
O=C(CC(F)F)N1CC[C@@H](B(O)O)C1	1891516524	IHCRJGVDDJXAFU-RXMQYKEDSA-N	206.985	-0.283	50	10	BBGE	
CCNC(=O)N1CC[C@](C)(B(O)O)C1	1891606622	GQVLCYMFLMJCNH-QMMMGPOBSA-N	200.047	-0.345	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC(=O)C1=O	1891993788	IXZGCPFEZABSJS-RXMQYKEDSA-N	201.613	-0.924	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H](O)C1	1895032870	GVMVPDBIFBPCGD-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
CC(C)=C(CN1CC[C@H](N(C)C)C1)B(O)O	1901618658	VGDKMYJLLGBQID-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	1902513158	QGWAVRBONDFWGU-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
C#CCCNC(=O)c1csc(C)c1B(O)O	1902859448	AIVTUFGQTNYERH-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
C=C1C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903008837	BEHGIYCMKUYFTJ-SSDOTTSWSA-N	222.028	-0.690	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CC(=O)NC1=O	1905558736	LIPFGZQEPSBXCI-RFZPGFLSSA-N	218.640	-0.465	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2C[C@@H]2F)ccc1B(O)O	1908965692	QAFQJNUQDUIWHB-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
Cc1ccn(C[C@@H](C)C(=O)NN)c(=O)n1	1912262085	PRZSQYXMXTZJRA-ZCFIWIBFSA-N	210.237	-0.822	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(S(N)(=O)=O)C1	1915005412	YZGBPGUAXOSAHP-RXMQYKEDSA-N	240.712	-0.639	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CCOCC2)C1	1915589867	KFENQNSVTLBYCW-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C(=O)NC(=O)[C@@H](C)Cl	1916837443	FTPDVVLPDSHQIY-PHDIDXHHSA-N	249.698	-0.084	50	10	BBGE	
CN(C)CC(C)(C)CN(C)CC(=O)NN	1927958457	BYBSGDGDMSLJCG-UHFFFAOYSA-N	216.329	-0.504	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1CN(C)C1	1928160480	JNGHERNLKDEQDE-SFYZADRCSA-N	214.313	-0.753	50	10	BBGE	
O=C1N(C[C@H](O)CO)CC1(CCl)CCl	1932901915	OUINGPANANLVGM-LURJTMIESA-N	242.102	-0.354	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC(C2CC2)C1	1933056721	MZXSUOQTFRDTPS-WPRPVWTQSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCS[C@H](CO)C1	1936089737	FAHCDBKRNWYFBK-XHNCKOQMSA-N	245.348	-0.978	50	10	BBGE	
C#C[C@H]1CCCCN1CC(=O)NNC(C)=O	1936516691	DPOUWVKQMNXFLD-JTQLQIEISA-N	223.276	-0.359	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)C[C@@H]1C	1936535231	NATIRBKMQUKXLC-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)CCS1	1936535806	PLRPAGSCGZWYKR-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](C(=O)N(C)C)C1	1940305510	YEZXKBUNLYHJDQ-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
NNC(=O)CCCN1C[C@]23CC[C@@]2(COC3)C1	1942757091	FTYNFBGFEZHMHU-RYUDHWBXSA-N	239.319	-0.131	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2[C@H](C1)[C@@H]2CO	1944548677	QGTBEUBNBGEXNW-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1[C@H]2CCC[C@H]21	1945073978	HJNBDLXQHRIQPX-URLYPYJESA-N	241.335	-0.029	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(CC3(C(=O)NN)CC3)C[C@@H]21	1945913653	XLCLZVKCQXVOMT-MYJAWHEDSA-N	238.335	-0.752	50	10	BBGE	
CO[C@H]1CN(C(=O)NN(C)C)CC[C@@H]1C(=O)O	1947210968	OQXZVHARSRIZSY-YUMQZZPRSA-N	245.279	-0.406	50	10	BBGE	
Cn1cccc(OCC2(C(=O)NN)CC2)c1=O	1950721165	CVPGJQUKQONXAV-UHFFFAOYSA-N	237.259	-0.466	50	10	BBGE	
CN1CCNC[C@@H]1C(=O)CBr	1953236834	LGDKBTXMOTWHQG-ZCFIWIBFSA-N	221.098	-0.146	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@@H](O)CCl)C1	1956438213	KZWHDLSLZYTBBK-CIUDSAMLSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)N1CCSSCC1	1957354988	ARIDPCOQUBEXTH-BQBZGAKWSA-N	236.362	-0.082	50	10	BBGE	
CCC[C@H](COC)N(C)C(=O)C(=O)NN	1957482575	NZXHQMMWAOYWRH-SSDOTTSWSA-N	217.269	-0.750	50	10	BBGE	
CCN(CC(=O)NN)C1CCN(C)CC1	1958206898	XWRZFLVJEOYAGF-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
Cc1ccnc(N2CCCO2)c1B(O)O	1961689894	FXBRZMVGWUJMFJ-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
CNC(=O)[C@H]1CNCCN1C[C@@H](Cl)C#N	1962289950	LXUDVMCHGCNCIO-JGVFFNPUSA-N	230.699	-0.863	50	10	BBGE	
CN1C(=O)NCC12CN(C[C@@H](Cl)C#N)C2	1974909103	PYNASZNGRBKQPZ-ZETCQYMHSA-N	228.683	-0.173	50	10	BBGE	
CC[C@H](Cl)C(=O)NCC(=O)N1CCOCC1	1976903683	MKXKQPZGMCHQCT-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2ccnc2)n1	1980595119	XHMGRNPBVIVUOW-UHFFFAOYSA-N	220.236	-0.732	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1[C@H](C)CCC(=O)NN	1981192697	UFOKPRUIVKQSOS-YNEJBJPTSA-N	247.364	-0.402	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ccc(B(O)O)cn1	1981415717	IAFSOROWKBCCKT-APPZFPTMSA-N	224.044	-0.302	50	10	BBGE	
CCOCC1CN(c2nc(B(O)O)cs2)C1	1981468440	BQNUDHIZDQIPFD-UHFFFAOYSA-N	242.109	-0.704	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@H]1[C@@H]2COC[C@@H]21	1982264330	GQPKRABFIOINND-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
C=CC1(O)CN([C@H](CC(C)C)C(=O)NN)C1	1990554723	DKXPGVRFXPMKBZ-SECBINFHSA-N	227.308	-0.376	50	10	BBGE	
NNC(=O)C1(CO[C@H]2COCC2(F)F)CC1	1991601354	GCJFVDKHNVUDKD-LURJTMIESA-N	236.218	-0.193	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CNCCOC1	1991662122	IEONMDIHNBJDMG-MRVPVSSYSA-N	246.694	-0.340	50	10	BBGE	
C[C@H](C(=O)O)N1CC(NC(=O)[C@H]2C[C@@H]2Cl)C1	1991674162	BJQRXKOSJZIPEA-DTLFHODZSA-N	246.694	-0.113	50	10	BBGE	
C[C@H]1CCN1CC12CC(C(=O)NN)(CO1)C2	1993891147	NCJMROWTUYWSLC-PUSIOWJLSA-N	225.292	-0.380	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	2003744342	MPQALTUSVYJGGR-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
Cc1cc(N2CCO[C@H]3C[C@H]32)ncc1B(O)O	2005014192	HYKUGFJGSSOSAA-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H](C)[C@@H]2C)n1	2005017407	DUMDQXQKGPDAQX-SVRRBLITSA-N	235.096	-0.382	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2005117580	WTYNPDNMPGLLJT-WPXGONGXSA-N	241.335	-0.296	50	10	BBGE	
CCOC1(CO)CN([C@H](C)CCC(=O)NN)C1	2005153855	QJCOPQSZUWMMPF-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CC2(CC2)C1	2008840427	MEEDASBBRYYUSZ-UHFFFAOYSA-N	233.076	-0.282	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2OCC[C@@H]2C1	2008869597	CTQQLIKAMPJVGZ-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
NNC(=O)C(F)(F)CN(CC1CC1)C1COC1	2018186561	DPQXRRYAKCVVEU-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
CN1CC(COc2ccc(F)c(B(O)O)c2)C1	2022090953	MDXRTJVSWIZWAF-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2052473577	WNFRUPBDJPJBBF-PHIMTYICSA-N	247.107	-0.956	50	10	BBGE	
CCOc1c(OC)ccc(C=O)c1B(O)O	2060137150	PWGPVTZVVZXMEI-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
Cc1nc(NC(=O)CC2(C)CC2)ncc1B(O)O	2069482576	KIMSZHCOHFQBSR-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
Cc1nccn1CC(=O)N[C@@H]1CCC=C1B(O)O	2076079296	PKTMXKUJGXZGHY-SNVBAGLBSA-N	249.079	-0.591	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C1	2211719326	BGXYEZYCRFBPPT-ATZCSACOSA-N	245.706	-0.329	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3C[C@@]3(F)C2)n1	2212307053	YTMZCOBMMBVYRL-IMTBSYHQSA-N	242.084	-0.239	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)C1(N)CC1	2212599430	IRLGCORKJHZJSQ-ZETCQYMHSA-N	222.053	-0.980	50	10	BBGE	
CC(C)(N)CCOc1ncccc1B(O)O	2212604071	LTHVHKHMLJSFIY-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H](F)CCN=c1[nH]ccc(B(O)O)c1F	2212605940	MDQNCCHCEOGXME-LURJTMIESA-N	230.023	-0.518	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CCN1C	2215774725	DXADNDZAUANUSY-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@](C)(O)CNc1cc(B(O)O)c(C)cn1	2217180003	PWOLZMRYSHWTMK-LLVKDONJSA-N	238.096	-0.357	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@H](C2)C3)cc1B(O)O	2217181670	SSFNWAZQKYYOFM-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CN1CCC(Nc2ccc(B(O)O)cn2)CC1	2217184539	PWWBPKGNSSJREU-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
OC[C@H](Nc1nccc(B(O)O)c1F)C1CC1	2217185410	WRDCZGUBNBSLAE-QMMMGPOBSA-N	240.043	-0.917	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCOC2)c1	2217193457	MYCOQADCTDGCML-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
CC(C)(N)C(C)(C)Oc1ccc(B(O)O)cn1	2217193773	XJMZPJPGPMQMOR-UHFFFAOYSA-N	238.096	-0.344	50	10	BBGE	
C[C@H]1COCCN(c2cc(B(O)O)ccn2)C1	2217200044	QQGITNCFPYEWSP-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
CO[C@H](CNc1cc(B(O)O)ccn1)C(C)C	2217202262	VWBLYUWKYQBNCT-SNVBAGLBSA-N	238.096	-0.156	50	10	BBGE	
CC1(C)[C@H](O)CCN1c1cc(B(O)O)ccn1	2217204047	DPTIFMJSHCROSF-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
N[C@H]1CC[C@H](CNc2ncccc2B(O)O)CC1	2223636022	FAYJQADMCPBYFV-MGCOHNPYSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N[C@@]23CCNC[C@H]2C3)cc1B(O)O	2223649160	UWCPNLLKWVPGRE-BXKDBHETSA-N	247.107	-0.766	50	10	BBGE	
C#CC[C@@](C)(CN)COc1cc(B(O)O)ccn1	2223667337	RHTQMIFQABYWJP-LBPRGKRZSA-N	248.091	-0.872	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccnn1C	2223678425	BMAZAKWBPBUASH-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
N[C@@H]1COC[C@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241654039	QMXGOLBKPDSIIB-WCTZXXKLSA-N	218.684	-0.154	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CCCCN1	2243349531	MWLYUAXFYMYHPV-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)C1(B(O)O)CC1	2243359608	UXIODSJBRMKRGJ-BIIVOSGPSA-N	225.053	-0.856	50	10	BBGE	
C[C@H]1CN(C(=O)c2occc2B(O)O)[C@@H]1C	2243363032	AFPVJSCQEYZNKP-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
C[C@H]1CNC[C@@H]1NC(=O)C1(B(O)O)CCC1	2243364751	BRVQONDAEZWHEN-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ncccc1B(O)O	2243374563	GXCAHVFDMZFXTA-SSDOTTSWSA-N	220.037	-0.934	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CCO)CC1	2243391920	OZBVWRKNJKEORL-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)[C@H]1C[C@H]1B(O)O	2243397151	WLXQYAYUFKZDRY-JGVFFNPUSA-N	223.041	-0.769	50	10	BBGE	
O=C(NCC#CB(O)O)C1CCC=CCC1	2243685172	OLUQCMZISYSGCO-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
CC(C)S(=O)(=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243753115	QXSVLHKTTZGDLO-KNVOCYPGSA-N	249.097	-0.906	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1sncc1B(O)O	2244147832	DJIYNVCXRIEDFK-RXMQYKEDSA-N	246.072	-0.747	50	10	BBGE	
C=CC[C@]1(CO)CCN(CCC(=O)NN)C1	2244837895	PKJAHUFXLHGDQI-NSHDSACASA-N	227.308	-0.373	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1=CCCCC1	2247513706	KJUULLYZTYTIOV-UHFFFAOYSA-N	234.064	-0.577	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2247743367	CJEHDRCUFIIYBU-SSDOTTSWSA-N	236.080	-0.387	50	10	BBGE	
O=C(N1CC2(CC[C@@H]2O)C1)C1(B(O)O)CCC1	2247751029	RTAOVNDLCAKDBZ-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
N#CCCNC(=O)c1ccc(F)cc1B(O)O	2247752228	LGGZVVIRHDGOLL-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2247797138	GLSJMQRVMAFHPA-VAPHQMJDSA-N	239.080	-0.515	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247799494	DRIDIZKOIHUZRG-AUXWQGHOSA-N	241.096	-0.267	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2247807483	IKCZMGUQMZVXPJ-VGMNWLOBSA-N	241.096	-0.219	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247852061	OGJCKSUSXYDBGH-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
CN[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247860268	UOBOOGKTRRQVBQ-RGOKHQFPSA-N	240.112	-0.504	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(F)c(B(O)O)c1	2247867695	KWLNZSKDYWCPSG-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C#CC1CC(NC(=O)c2cc(B(O)O)cs2)C1	2247886114	XNWBCOYDXVTUAH-UHFFFAOYSA-N	249.100	-0.431	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894178	DBOXFJXPGKWXHG-KXUCPTDWSA-N	243.112	-0.237	50	10	BBGE	
CN(Cc1ccn(C)n1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247894992	MZKCUUKEFXKBDR-BDAKNGLRSA-N	237.068	-0.759	50	10	BBGE	
COC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897447	SJVUQKYYSUXDCE-BBBLOLIVSA-N	241.096	-0.266	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c(C)o1	2247899081	KFMBRPDKEBERLS-YUMQZZPRSA-N	238.052	-0.229	50	10	BBGE	
O=C(O)C1=CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248576803	LEUARHALDDRRMC-SSDOTTSWSA-N	239.036	-0.717	50	10	BBGE	
CC=CC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248576998	HXFGWKPTLFHWJT-RNJXMRFFSA-N	241.052	-0.615	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2248585392	KNHRVHALYVBDCB-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588396	CGFRNVVMLGRXAE-RITPCOANSA-N	247.031	-0.689	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248711394	OGFJDKBYDVSUFZ-KBIXCLLPSA-N	241.096	-0.219	50	10	BBGE	
C=CCNC(=O)[C@H](C)N1CCC(B(O)O)CC1	2249377688	HOINHZGBBRMTFW-VIFPVBQESA-N	240.112	-0.384	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)C(=O)C1(B(O)O)CC1	2250861361	NUDILTOKIQTBDS-VIFPVBQESA-N	242.128	-0.208	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC1[C@H]2CC[C@H]12	2255509957	QTILZQHFBJXCMJ-IUCAKERBSA-N	245.087	-0.187	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@H]1C1CC1	2255552513	MFMAOKFPHFZQQL-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
COc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1B(O)O	2255555142	WSYRTNBGNXWFHL-XVKPBYJWSA-N	249.075	-0.487	50	10	BBGE	
O=C(NCc1cnc2n1CCC2)[C@H]1C[C@@H]1B(O)O	2255683144	RGBPNEGEKAJKKW-IUCAKERBSA-N	249.079	-0.692	50	10	BBGE	
O=C(NCc1c[nH]nc1C1CC1)[C@H]1C[C@H]1B(O)O	2257181628	IWZWJMWEVHPNRI-DTWKUNHWSA-N	249.079	-0.234	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371524	NIRIQFKZMZXLNZ-SOYHJAILSA-N	241.096	-0.221	50	10	BBGE	
CN1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376663	HPYMXNAZLWPMTP-BBBLOLIVSA-N	240.112	-0.741	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCO[C@@H]2CCOC2)C1	2303105303	NEHBUJXKGJOWFU-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3C[C@@H]2CO3)nc1	2312743116	URFCDAGXDYAGIS-DVVUODLYSA-N	248.091	-0.259	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	2312848026	GOLNEIAXPZAQRD-ATFQUMLSSA-N	247.103	-0.105	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)c[nH]1	2312848114	NOPPZCFNENCSQP-KHQFGBGNSA-N	248.091	-0.387	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1occc1B(O)O	2312849195	KIIKASLDZLOVNB-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Nc1ccc(B(O)O)cn1)CO2	2315935523	LEJGKZQZUHGJMA-UISBYWKRSA-N	248.091	-0.259	50	10	BBGE	
Cc1c[nH]c(=NCCc2ncco2)cc1B(O)O	2316774041	DYKNITFONCZYRJ-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
COCC1CN(c2ccc(B(O)O)cc2C#N)C1	2317150960	LQIDZRHDQKJGOA-UHFFFAOYSA-N	246.075	-0.679	50	10	BBGE	
CN1CC[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317351041	BOMGZMUJQXGLNV-LLVKDONJSA-N	248.091	-0.705	50	10	BBGE	
CCC#CC(=O)Nc1cc(B(O)O)ccc1OC	2319239807	GZDXJNOXSBHNHQ-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@@](C)(B(O)O)C2)cn1	2319670138	RTXVFZVIZOZTJC-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
Cc1ncncc1C(=O)N1CC[C@@](C)(B(O)O)C1	2319671000	WFUGUMHJMJXJPP-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
C#Cc1c(F)cc(NC(=O)C#CB(O)O)cc1F	2320983972	LBUMRFODFJQYOZ-UHFFFAOYSA-N	248.981	-0.100	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNCC(=O)O	2324510551	UEMYAWJNVXDDAO-UHFFFAOYSA-N	211.221	-0.407	50	10	BBGE	
NC(=O)C(=O)N/N=C1\CCc2ccccc21	5163913	IFVAOHIVVMLWMZ-UKTHLTGXSA-N	217.228	-0.062	50	10	BBGE	
Cc1ccccc1N(C)C(=O)C(=O)NN	49991572	FPZAIZTWWXYHAY-UHFFFAOYSA-N	207.233	-0.052	50	10	BBGE	
Cc1cc(C)n(CCCC(=O)NN)c(=O)n1	82468336	ZVYSQCXHSJCTDW-UHFFFAOYSA-N	224.264	-0.370	50	10	BBGE	
C[C@H](C(=O)NN)N1CCn2ccnc2C1	82469250	JWPBAIQLCGXQPL-SSDOTTSWSA-N	209.253	-0.923	50	10	BBGE	
C[C@H](CN1CCC[C@H](O)C1)C(=O)NN	82470438	CPNWTEQOVOVFOC-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC[C@@H]1CO	86313595	YZACHMYUWCMMHK-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
O=C(O)C[C@@H](C(=O)O)[C@H]1CC(=O)OC1=O	113971400	OKFOVURIUHKBLY-QWWZWVQMSA-N	216.145	-0.748	50	10	BBGE	
C[C@@H](CO)N(C)Cc1ccc(C(=O)NN)o1	125437775	GLSPXKGYJPLZCE-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
NC(=O)CONS(=O)(=O)CCCCCl	162611158	PQWNQDMAWQKSSV-UHFFFAOYSA-N	244.700	-0.658	50	10	BBGE	
NC(=O)N/N=C\c1ccc(C(N)=O)cc1	215109221	IIVIUBCPFGDRCI-XGICHPGQSA-N	206.205	-0.212	50	10	BBGE	
COC(=O)[C@H](OC)/C(C=O)=C\CC(=O)O	215705541	MEIGARGKFTVWHZ-WAXIIBMWSA-N	216.189	-0.226	50	10	BBGE	
COCCCOCCO[C@@H](C)C(=O)NN	232205978	VBEFMAKDTYWSGR-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)N(C)[C@H](C)C1	232420817	AQDFDFUVEIHAKP-KXUCPTDWSA-N	244.339	-0.984	50	10	BBGE	
C[C@@]1(C(N)=O)CCN(S(=O)(=O)CCl)C1	235400532	DVZUMPQIZDCZDJ-SSDOTTSWSA-N	240.712	-0.290	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCCO1	251550546	MYNDSDDXLHQTMT-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@H](C)CCC(=O)NN)C1	252786485	VODXYHZPYOLRTI-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CC[C@H]1O	253184514	JUMSWVITOFSVJV-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CCS(=O)(=O)N[C@@H]1COC[C@@H]1Cl	306400369	OHMUFKCFIMNWLM-NTSWFWBYSA-N	213.686	-0.068	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1C[C@H](O)CN1	307275711	SECUJAACFOAUJU-CRCLSJGQSA-N	227.091	-0.371	50	10	BBGE	
NC(=S)NNC(=O)C(=O)c1ccccc1O	309232323	YEQLLWGPTKJUMG-UHFFFAOYSA-N	239.256	-0.561	50	10	BBGE	
O=C(NNCC1(F)CC1)[C@@H]1COCCN1	309565310	KRMQPYRWPAYLPE-ZETCQYMHSA-N	217.244	-0.902	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1NCCn1cncn1	323405045	VANMBRGPPUOIFC-SFYZADRCSA-N	216.672	-0.126	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CCCC(=O)NN	384859171	IKZGDKURZMBXIH-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H]2CO)n1	386923946	DXIFYVBHQCLIJY-ZETCQYMHSA-N	240.263	-0.765	50	10	BBGE	
CC1(C)CN(CCCCC(=O)NN)C[C@H]1O	388183403	NKNHQZLYVRZMFG-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)c1cc2cccc(B(O)O)c2o1	390437171	KERAJSNMDQVUEM-UHFFFAOYSA-N	219.989	-0.101	50	10	BBGE	
CC(C)(CCN1C(=O)[C@@H]2C[C@H]2C1=O)C(=O)NN	395599773	AWZAFWBMMKQKEQ-RNFRBKRXSA-N	239.275	-0.603	50	10	BBGE	
CC(C)(CCN1CC[C@H](C(N)=O)C1)C(=O)NN	395702864	IXHYPPLXXOQLTA-QMMMGPOBSA-N	242.323	-0.800	50	10	BBGE	
CCC(=O)c1ccc(OC)c(B(O)O)c1	396029092	FAANHQFMNMXKNM-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
C[C@H](CO)SCC(F)(F)C(=O)NN	685957889	KIDGFOCXGHCAHK-SCSAIBSYSA-N	214.237	-0.274	50	10	BBGE	
CN(C[C@@H](CCl)O[N+](=O)[O-])[N+](=O)[O-]	687812150	YDUGWBDQDGGQJO-SCSAIBSYSA-N	213.577	-0.074	50	10	BBGE	
N#CC1(O)CCN(c2ccnc(NN)n2)CC1	692153822	XJOOJHPAROHTOY-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CN1CCCC[C@H]1CCn1ccc(B(O)O)n1	694274915	GJQLCFLPJGEKJD-JTQLQIEISA-N	237.112	-0.563	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CCO)CCCO	695088622	VGEYZJDLEXQFEW-JTQLQIEISA-N	247.339	-0.932	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]3C[C@H]3C2)O1	699268579	JDIRPVWEHNFDFT-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCCN1C(=O)C1CC1	700841223	OCHMMQHQHNJWEA-SSDOTTSWSA-N	240.263	-0.913	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2=CC[C@@H](N)C2)CC1	702453264	IXZZAGMJFMWONJ-SNVBAGLBSA-N	235.287	-0.089	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1CC(C(N)=O)C1	703485992	CUPTZPLRFYNVCC-DKATWDMPSA-N	242.323	-0.803	50	10	BBGE	
CCCCOCCn1nc(C)c(B(O)O)c1C	703770021	PXSMOSVXXBXXLV-UHFFFAOYSA-N	240.112	-0.004	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(C)C[C@@H]1C	704081107	JJNBJWUQOVZMEB-NGZCFLSTSA-N	229.324	-0.031	50	10	BBGE	
CCS(=O)(=O)N1CCC(C(=O)N(C)N)CC1	704635824	QYAPVBMFOVQOOF-UHFFFAOYSA-N	249.336	-0.620	50	10	BBGE	
CC(C)[C@H]1CN([C@H](C)C(=O)NN)CCO1	708953613	RBCWIKXEEVTEDB-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
CN[C@H](C)C(=O)N1CCC(O)(C#N)CC1	709389769	HLRSUGZLPUEJFB-MRVPVSSYSA-N	211.265	-0.529	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]2C1	718254237	XXZJPSDEODRZKD-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](O)CN(C)C1=C(C#N)[C@H](N)[N]S1	725552904	WSOKGUYMJLEEMD-CAHLUQPWSA-N	213.286	-0.415	50	10	BBGE	
O=C(NN=C[C@H]1CCCOC1)[C@H]1COCCO1	814860176	CRDKTALFZYPVKD-NXEZZACHSA-N	242.275	-0.070	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(B(O)O)c1	1155139609	GOKSGXIPXVPSQD-MRVPVSSYSA-N	217.033	-0.882	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)C1CC1)[C@@H]1CCOC1	1261661682	YANGBGSBNSYRFJ-RKDXNWHRSA-N	242.275	-0.405	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)c1cn[nH]c1	1445084115	ZNSSNYNXAXMAPQ-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
Cc1cccnc1NNC(=O)C1(O)COC1	1556203494	OWSXPAJLIRLOHX-UHFFFAOYSA-N	223.232	-0.406	50	10	BBGE	
O=C(NC/C=C\Cl)c1ccc(B(O)O)cc1	1640151801	MLRPYYYHHOTTLB-BHQIHCQQSA-N	239.467	-0.151	50	10	BBGE	
CC(=O)NNC(=O)COc1c[nH]c(C)cc1=O	1857908464	WGWCMBIZRLOWIR-UHFFFAOYSA-N	239.231	-0.771	50	10	BBGE	
O=CNNS(=O)(=O)c1cccs1	1858080780	UPRTVTZZXPOYCC-UHFFFAOYSA-N	206.248	-0.313	50	10	BBGE	
CNCCCSC[C@@H]1C[C@H]1C(=O)NN	1877240536	GQVUIAYAKXFXDR-JGVFFNPUSA-N	217.338	-0.045	50	10	BBGE	
C[C@@H]1CCN1Cc1nc(B(O)O)cs1	1891796066	ISDHECLGNRZIGO-ZCFIWIBFSA-N	212.083	-0.583	50	10	BBGE	
C[C@@H]1SCCN([C@@H](C)CC(=O)NN)C1=O	1893845696	LCCQONXASHSZKI-BQBZGAKWSA-N	231.321	-0.281	50	10	BBGE	
C=C(CN1CC[C@H]2CN(C)CC[C@H]21)B(O)O	1897282857	BTOZNMLGPDMWIB-WDEREUQCSA-N	224.113	-0.419	50	10	BBGE	
CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1CO	1897990096	WYKHQYQWYOVESA-BBBLOLIVSA-N	229.324	-0.437	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1F	1898819453	DNCKDYNKBITZLE-WCTZXXKLSA-N	231.032	-0.955	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cnsc1B(O)O	1900450684	JRZLHPZVTYGICJ-IYSWYEEDSA-N	240.093	-0.649	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@H]1CN	1901338930	FOIYIWVXCLNOGE-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](C)NC1CC1	1901339987	WZHXSLDMMJTSHG-ZETCQYMHSA-N	249.336	-0.560	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC1(O)CC1	1901670803	WLKCQMLKZCLMTH-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@H](O)C1	1901761608	FFSLFONMOZNRDI-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CC(C)(COCC1[C@@H]2COC[C@@H]12)C(=O)NN	1902166610	XGTKBLZASYBDLL-HTQZYQBOSA-N	228.292	-0.089	50	10	BBGE	
C=C1COCCN(CC(=O)NNC(C)=O)C1	1904700542	RFRWNYSGYNSDOC-UHFFFAOYSA-N	227.264	-0.958	50	10	BBGE	
C[C@H]1CCN(C[C@@H](C)C(=O)NN)S1(=O)=O	1912292376	HPDRJCOKQUSHIA-RQJHMYQMSA-N	235.309	-0.964	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1ncccc1B(O)O	1913610039	LOEIAGHTSUDKET-JGVFFNPUSA-N	234.064	-0.254	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)C12CCC2)C(=O)NN	1914396507	OGOLWFGYYTTXQY-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CC3)C2)c1	1914548485	FWBNRMVQZVIISO-UHFFFAOYSA-N	217.077	-0.038	50	10	BBGE	
CCN(Cc1ccc(B(O)O)cc1)C1COC1	1915673784	ZTMJRXAUFPCGQH-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)[C@@H](C(=O)NN)C(C)(C)C	1916202912	SVINTNZWUDNMCO-SFYZADRCSA-N	244.339	-0.543	50	10	BBGE	
N[C@H]1CC[C@@H]1NS(=O)(=O)CBr	1923842694	OEJVSRDSBCJMEX-WHFBIAKZSA-N	243.126	-0.252	50	10	BBGE	
CN(C)NC(=O)N[C@H](C[C@H]1CCCO1)C(=O)O	1927183803	ZDBWVMDCTJTVMJ-HTQZYQBOSA-N	245.279	-0.216	50	10	BBGE	
O=C(Cn1cnnc1)NCCOCCCl	1928690095	FZKYIAFQVUAZCL-UHFFFAOYSA-N	232.671	-0.350	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1F	1928694267	MSSCCFNEIDAJAQ-XLPZGREQSA-N	219.260	-0.576	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@@H]1CO	1929740438	IRLWCIZFLZVHRD-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](CO)C2	1935286569	OCYDZBJRAFMGCU-XGEHTFHBSA-N	213.281	-0.790	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CC(F)(F)C(=O)NN	1935942721	VJQKKZYAAVSLFM-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CO[C@]1(C)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094252	LPGKCGNTZSNUPD-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@@H]1F	1937153911	LNLLPRUDQCWUHK-YIZRAAEISA-N	233.287	-0.330	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CC1(C(=O)NN)CC1	1938231620	ADMKDABGIMIJPU-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CC1(F)F	1938861191	VCFVBTWMVHJGFU-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
CCc1cc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)cn1	1941090051	YJVIPENONPPTHO-CBAPKCEASA-N	236.275	-0.568	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2OCCO[C@@H]2C1	1946396819	KNQVBHAWCBPZHE-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@]12CC[C@@H]1C2	1951281627	YSERPKCIFDMERL-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NNC(N)=O	1956345514	NGZXMSZWAZHKTQ-LURJTMIESA-N	203.242	-0.253	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)N1CCSSCC1	1957354991	ARIDPCOQUBEXTH-RQJHMYQMSA-N	236.362	-0.082	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)C(=O)NN	1959917265	JBDGZBZAUZICOE-WHUPJOBBSA-N	211.265	-0.519	50	10	BBGE	
CN(CCCn1ccnc1)CC(=O)NN	1961264206	RDUDTWAQVROHRT-UHFFFAOYSA-N	211.269	-0.805	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1C1CC1	1961489792	NMOPWTPASQUMGH-MRVPVSSYSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](Cn1ccc(O)cc1=O)C(=O)NN	1962442550	QQHCKEIRFPSNLY-LURJTMIESA-N	211.221	-0.820	50	10	BBGE	
COCC1CC2(CCN2CCC(=O)NN)C1	1976891127	DOAHEDOFEZMSHK-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1N(C)CCC(=O)NN	1980816151	DYXBHUJERYIICN-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)c1cnn(C)c1	1980916977	MJHZLSASSIJYBV-VXNVDRBHSA-N	223.280	-0.518	50	10	BBGE	
CN1CCC[C@H]1[C@H]1CCCN1CC(=O)NN	1981072298	FXKDZHOIKAHMCN-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1ccc(N2CC3CC(C3)C2)nc1	1981411002	GGYAEULSSSPKFU-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CON(c1nc(C)ccc1B(O)O)C(C)C	1981445013	BJSGFFOCQGUFDQ-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@H]32)ccc1B(O)O	1981469095	MRJASNUGFAXWBG-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
CCCN(OC)c1ccc(B(O)O)c(C)n1	1981471813	LFZZUADWXCRSGF-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNCCNC(=O)CC1	1982246978	BMGYSOMBFCAUPX-SECBINFHSA-N	244.726	-0.471	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=NC2CC(Cl)C2)[nH]1	1983211954	SSNWHMPCCUSZFG-UHFFFAOYSA-N	242.714	-0.046	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	1985672667	AVUOSVCEILWVNM-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CO[C@H]2C[C@@H]1C2	1986053752	XHEAWPUVSOYBAF-RGOKHQFPSA-N	227.308	-0.136	50	10	BBGE	
C=C[C@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	1990540136	PRMHQPHFCJOBAP-ONGXEEELSA-N	227.308	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC1[C@@H](C)[C@@H]1C	1990774838	NVMQQUMFZHCLGE-YUMQZZPRSA-N	227.308	-0.013	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@]1(O)CCOC1	1991654379	KDATUMPDMLWZGL-JTQLQIEISA-N	247.678	-0.034	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992152989	KEVFMRRWCJEAED-DTWKUNHWSA-N	223.081	-0.200	50	10	BBGE	
C[C@H]1C[C@]1(C)C(=O)Nc1ccc(B(O)O)cn1	1996644960	CVGXRDQYAGROLK-CPCISQLKSA-N	234.064	-0.254	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ccc(B(O)O)cn1	1996647302	KSUNLGVOGTWWJZ-MRVPVSSYSA-N	238.052	-0.875	50	10	BBGE	
Cc1nc([C@@H]2CCCN2[C@H](C)C(=O)NN)no1	1997769340	ZHPCAQWLUPUROP-SVRRBLITSA-N	239.279	-0.107	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ccc(CO)cc2C1	2002324118	ZBABOOWNPCTANW-MRVPVSSYSA-N	235.287	-0.127	50	10	BBGE	
CN1CCN(CCCCCC(=O)NN)[C@H]2C[C@@H]21	2002909303	MFZQVEXJRXSMRA-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1c1ccnn1C	2004397883	AZKPRCDLFPGYBN-WPRPVWTQSA-N	237.307	-0.065	50	10	BBGE	
NNC(=O)CN1CCO[C@@H]([C@@H]2CCCOC2)C1	2004402093	MKHCGLLTUZRITN-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
CC(F)(F)C1CN(c2ccc(B(O)O)cn2)C1	2004912676	WWPBFJKSEODEGE-UHFFFAOYSA-N	242.034	-0.147	50	10	BBGE	
CCOC1(C)CN(c2ccc(B(O)O)cn2)C1	2004915891	FJBUYFKMTKDYOX-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC[C@H](COC)Oc1ncc(B(O)O)cc1C	2004935506	OKLZIOCMGHTURZ-SNVBAGLBSA-N	239.080	-0.126	50	10	BBGE	
CON(c1nc(C)ccc1B(O)O)C1CCC1	2004972098	AIHAGZDVAUEDCC-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
Cc1nc(N2CC3(CCC3)C2)ncc1B(O)O	2004973867	BDYLZYVQCLZXKV-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
Cc1cnc(N2CCO[C@@H]3C[C@H]32)c(B(O)O)c1	2005016353	NYFVIAQQSALVOJ-NXEZZACHSA-N	234.064	-0.953	50	10	BBGE	
CN(C)CCOCc1ccc(B(O)O)cc1F	2007009212	NXVCBQDDARFVIP-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]2C[C@@H]2C1	2008840432	MGHDRXWUSCOMLX-OWUUHHOZSA-N	233.076	-0.426	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@H]1CC[C@H](C(=O)NN)C1	2010834428	CMMJHLICTGBLJR-CIUDSAMLSA-N	242.323	-0.802	50	10	BBGE	
CO[C@@]1(CN(C)CCCC(=O)NN)CCOC1	2013415989	TZQYHHDCHWAVID-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
COC(=O)NC[C@H]1CCN1[C@@H](C)CC(=O)NN	2014046465	UYAHRUOSMMJVLQ-JGVFFNPUSA-N	244.295	-0.815	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CCN2CC[C@H]1C2	2017624968	YDBZBTDNAYOUSS-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2020067936	MKPULBYDQPCCMX-ORMBPQIASA-N	235.092	-0.037	50	10	BBGE	
C=C1CCN(C(=O)c2ccccc2B(O)O)C1	2022196679	PPNFAVFEKKGXBU-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2OCC[C@@H]2C1	2052625342	LJDXWLYINQFDIO-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
CCOc1c(F)ccc([N+](=O)[O-])c1B(O)O	2060126203	WDIZYSHVBGNYTA-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCOc1cc(C#N)c(C=O)cc1B(O)O	2060176995	RFJCDQPWBHDONT-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1c(B(O)O)ccc(C#N)c1C	2060205079	PZWTUBOTNSBWEG-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1ccc(OC)c(B(O)O)c1C#N	2060261454	UHEKWTNNWUDKJG-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cn1nnnc1SC[C@H]1CC[C@@H]1C(=O)NN	2211839271	RWONKUHBYDLZRD-RITPCOANSA-N	242.308	-0.682	50	10	BBGE	
NNC(=O)C1(CN2CCCO2)CCOCC1	2212444865	QRMHHWQCAJFONU-UHFFFAOYSA-N	229.280	-0.590	50	10	BBGE	
C[C@@H]1CCC[C@H]1Nc1ncc(B(O)O)cn1	2212602488	FHSMORJGWPLEHB-VXNVDRBHSA-N	221.069	-0.243	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2213879703	ISTOQJFZWNRYFP-HRDYMLBCSA-N	247.314	-0.204	50	10	BBGE	
C[C@H](O)[C@@H]1CCN(CC2(C(=O)NN)CCC2)C1	2216528077	LAHXIUKIBBDTBP-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CCOC2)CCOCC1	2216854839	NLXXGYVVIBHFTH-SECBINFHSA-N	244.291	-0.421	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1c1cc(B(O)O)ccn1	2217178447	WEPXKMLJMBNNIO-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H](C#N)CN(C)c1nccc(B(O)O)c1F	2217183978	PFLSCJADFVKJBX-ZETCQYMHSA-N	237.043	-0.504	50	10	BBGE	
CN(CCCCO)c1nccc(B(O)O)c1F	2217184162	NPIAFXQXXYAWRW-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
CC[C@@H](CNC)Oc1nccc(B(O)O)c1F	2217188703	SCLLJVNXUSSKGH-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCN(C2CC2)C1	2223631907	CHXNCLVTQPLASD-SECBINFHSA-N	247.107	-0.590	50	10	BBGE	
Cc1cn(C)nc1CNc1cc(B(O)O)ccn1	2223635590	YXNBDMXOAXUVJP-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@@H]2Nc1ccc(B(O)O)cn1	2223651255	VZICEPNSGRTRCX-UBHAPETDSA-N	248.091	-0.666	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CC[C@H]3CC[C@H]2N3)nc1	2223662944	MMWZVFWAGGRUQJ-MXWKQRLJSA-N	248.091	-0.577	50	10	BBGE	
C[C@@H](COC(F)F)OCCOCC(=O)NN	2242780759	ARNMPEHNFKFNPH-LURJTMIESA-N	242.222	-0.363	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccoc1B(O)O	2243350107	VUDJGZTWMZUTQC-RXMQYKEDSA-N	230.963	-0.903	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cc(B(O)O)cs1	2243385719	NEWJCBUCEXBARY-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
Cn1cnnc1NC(=O)C1CC(B(O)O)C1	2243390907	CXFCJLFULZLTHU-UHFFFAOYSA-N	224.029	-0.993	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCNC1	2243395648	ABHRNRQOHGIHBS-IWSPIJDZSA-N	226.085	-0.940	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@H]1CF	2243407521	UKUJYTNRFKXTCR-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cscc2B(O)O)[C@@H]1C	2243408222	JKLOPYPLEMWGQW-GJVVYLMISA-N	239.105	-0.188	50	10	BBGE	
O=C(NCCF)c1ccc(Cl)cc1B(O)O	2243410390	AOHHCYKFYSGSIK-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
O=C(NCC1CCC1)c1cscc1B(O)O	2243411710	YUMPGKNLGUKYKU-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
O=C(NC[C@@H](O)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2243426944	OBCIKMWOSYDWPZ-HRDYMLBCSA-N	227.069	-0.874	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2243427488	WIUJXBREPQNWLF-LJGSYFOKSA-N	225.053	-0.223	50	10	BBGE	
C#CCNC(=O)c1cccc(Cl)c1B(O)O	2243509618	OSRZVYAECRMKDN-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1coc(B(O)O)c1	2247735426	YQWMMBDRYKPULM-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](CNC(=O)c1cc(B(O)O)c[nH]1)C(F)F	2247738662	UBLPJCDNIUHQSD-YFKPBYRVSA-N	246.022	-0.675	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccc(B(O)O)o1	2247746785	DMCCCQQNWKMUBW-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
O=C(NCC12CCC(CC1)O2)C1(B(O)O)CC1	2247753354	FYKXYOHJZMGYPD-UHFFFAOYSA-N	239.080	-0.179	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1CO	2247756080	LCNLMYIAXVCUDO-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)cn1C(C)C	2247756342	FWUAEOJNTREBIR-UHFFFAOYSA-N	240.068	-0.400	50	10	BBGE	
O=C(N1C[C@H](O)C(F)(F)C1)C1(B(O)O)CCC1	2247759001	YDEUUOAJBBJXCM-LURJTMIESA-N	249.022	-0.778	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247766561	OTYUHFKQIWOJSN-MRVPVSSYSA-N	236.080	-0.813	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]32)oc1B(O)O	2247789438	WDXRITFRXZPMQG-SFYZADRCSA-N	235.048	-0.498	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@](F)(CO)C1	2247797848	NOXWVPOEYBMJTH-KHQFGBGNSA-N	245.059	-0.828	50	10	BBGE	
N[C@@H]1CC[C@@H](CNC(=O)C2CC(B(O)O)C2)C1	2247798471	UMMRFWYTWDAZOG-SEZDTBSWSA-N	240.112	-0.517	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247799818	IPCVZCDOUDHZFK-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)[C@@H]1C[C@@H]1B(O)O	2247800645	RCGDWKNFTGCDAL-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)O	2247805927	LGIRRVKXOUHVPN-HACHORDNSA-N	243.112	-0.095	50	10	BBGE	
CC[C@@H]1NCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247805991	LUOSHILDSISTOR-HORUIINNSA-N	240.112	-0.504	50	10	BBGE	
CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808073	STJCUBMHHGJDSK-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(F)(F)C[C@H]1CO	2247810391	XAKMPXIBUBHQLM-XVMARJQXSA-N	249.022	-0.922	50	10	BBGE	
CC#CCCCNC(=O)c1cc(B(O)O)c[nH]1	2247846280	DAQZCYJVAWKYOX-UHFFFAOYSA-N	234.064	-0.772	50	10	BBGE	
C=C1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2247850550	PPOPXQNJJMUFNW-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CC1(C)CC[C@@H](N)CN1C(=O)C1(B(O)O)CC1	2247853428	MFEVEXQWOPIUOB-MRVPVSSYSA-N	240.112	-0.278	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccncc1B(O)O	2247854912	KPJLFNLRXJMPDN-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1C(=O)C1(B(O)O)CCC1	2247878010	GYJKVXZMXDXTJY-HTQZYQBOSA-N	237.064	-0.222	50	10	BBGE	
NCC1(F)CC(NC(=O)C2CC(B(O)O)C2)C1	2247892872	IZOLPNHHNNQCHC-UHFFFAOYSA-N	244.075	-0.815	50	10	BBGE	
CN(CC1(O)CCCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247897527	UIYNOUIECAFALI-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CO[C@H](C1CC1)[C@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247898068	ACTDSKPXRAJGLY-LKEDHPFLSA-N	241.096	-0.221	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2247899645	PADCKCOIGSLMPB-KYZUINATSA-N	243.112	-0.141	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCCNC1	2247899879	QZDUNZKTXJEPCC-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
Cc1ncccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247900360	WFIWOAHMQDDVPN-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
CC#CC(=O)N(C)Cc1ccc(B(O)O)cc1	2248400866	BSSSZKZJGDCNDW-UHFFFAOYSA-N	231.060	-0.652	50	10	BBGE	
O=C(O)C1(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2248575959	DRQVHSVDZXAIJY-KNVOCYPGSA-N	241.052	-0.780	50	10	BBGE	
O=C(NCC1(C(=O)O)CCC1)[C@H]1C[C@@H]1B(O)O	2248587797	USQQZSPJHKXSRL-BQBZGAKWSA-N	241.052	-0.780	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CC1	2248588699	GWMNGACNOOVPOG-RNFRBKRXSA-N	241.052	-0.780	50	10	BBGE	
O=C(Nc1nncn1C1CC1)[C@@H]1C[C@@H]1B(O)O	2250333906	RPIQXYQYLPIIMB-RQJHMYQMSA-N	236.040	-0.586	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21	2255465160	GOLNEIAXPZAQRD-ZTVLKNOQSA-N	247.103	-0.105	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCOCC2)c1	2255513559	TZSWBWYPADLQAE-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cn1)C1CCC1	2255521490	XDPNLRQDCOUNAG-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1nccc(C)c1B(O)O	2255575830	WFQNHDCCWHFXIF-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
COc1ccc([C@H](C)NC(=O)C#CB(O)O)cc1	2255663417	AMWCWJHPSPGSRH-VIFPVBQESA-N	247.059	-0.112	50	10	BBGE	
CC1(CNC(=O)c2ncncc2B(O)O)CCC1	2255729826	BMXOHQBVMVUMHF-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
Cc1ncncc1NC(=O)c1occc1B(O)O	2255731952	NTQNPYGXJSGLQJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=C(CC)CNC(=O)c1nc(C)ccc1B(O)O	2255733206	HNEXOPVTRVSTOJ-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(B(O)O)co1	2258127133	IGOHXEHYSIPKHK-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2260415856	UOSVSYMKGWNRJU-QWHCGFSZSA-N	249.119	-0.288	50	10	BBGE	
C[C@H]1CCO[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298374854	QAWOELDDXJPFSG-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)[C@@H]1C[C@H]1C(=O)O	2298463737	ZOXRUYSQNIHLST-YOWKYNACSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C(=O)CCC1=O	2300386325	ZYFBSAASZNQXNM-JGVFFNPUSA-N	239.275	-0.458	50	10	BBGE	
C[C@@H](Nc1ccc(C=O)c(B(O)O)c1)C(=O)O	2301419696	SYDFGNCMFTZWLA-ZCFIWIBFSA-N	237.020	-0.936	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@@H]1C(N)=O	2302061672	UTGXYDSLTGFDCM-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
CC1(C)CC(=O)N[C@H]1CN1CC[C@H](B(O)O)C1	2303133318	KJKFLPBOMDGJLX-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@](C)(Cn1ccc(C)nc1=O)C(=O)NN	2303435311	SWGQDUHZAWWZDW-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3cocc3B(O)O)[C@@H]1C2	2313081930	UJUGFXYGXZYSCB-PEXQALLHSA-N	249.075	-0.122	50	10	BBGE	
CC[C@@H](C)N(CC(=O)O)CC(=O)NNC(C)=O	37599136	CARGDFZEDWTTSB-SSDOTTSWSA-N	245.279	-0.661	50	10	BBGE	
CCOCCNC(=O)NNC(N)=S	45642997	YSLVCBBVGVTHHU-UHFFFAOYSA-N	206.271	-0.930	50	10	BBGE	
O=C(CBr)N(CCO)CCO	58838710	RLSLCUHQEPLWAR-UHFFFAOYSA-N	226.070	-0.806	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCCO1	82469930	GOKNHRRBIWQBET-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C)N(CCOC)CC(=O)NN	82470356	MYFXSSJRQXTNGV-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CC[C@@H](SCC(=O)OC)C(=O)NN	82472443	WEVIAAOBGRPSHV-RXMQYKEDSA-N	206.267	-0.339	50	10	BBGE	
CC(C)(CSc1nncn1N)C(=O)NN	86598359	FPKOMKKZXRJGPT-UHFFFAOYSA-N	230.297	-0.900	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC([C@H](C)N)CC1	110648868	NCZXHAXQSIBSIP-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCOC1	134790945	FAXNKNLPUYSNPX-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@@H](C)CC(=O)NN)C1	226494661	VCCOFUDPZHNLIN-CIUDSAMLSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](CCl)NC(=O)[C@H]1COCCO1	228931056	RCPIXHFDPWQUJJ-JGVFFNPUSA-N	237.683	-0.228	50	10	BBGE	
NNC(=O)N(CCO)CC(F)(F)F	231333564	SIHYMCCAALYUSF-UHFFFAOYSA-N	201.148	-0.574	50	10	BBGE	
NCc1cncc(B(O)O)c1C(F)(F)F	238570720	JPBQABWDGSBGTC-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
CN(N)C(=O)[C@H](N)c1ccc2[nH]cnc2c1	258995761	GJWBOYPDTKTYSX-SECBINFHSA-N	219.248	-0.105	50	10	BBGE	
CCNC(=O)C1=NS(=O)(=O)C(C#N)=C1	260175291	NZQSSUNHCQVRIY-UHFFFAOYSA-N	213.218	-0.686	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)C(C)(C)C1)C(=O)NN	304490349	CUCAULSTMOOIBV-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1CCO	304536070	JSUQYXZJAKLFGM-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
Cn1cnnc1NS(=O)(=O)CCl	306918631	CEXOMRSFBBNIFS-UHFFFAOYSA-N	210.646	-0.247	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H](C)Cl)CC(=O)N1	307041898	LFVCFPOTLSJWAW-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@](O)(CO)C1	307151836	FPPLZPXSEYUYDA-IUCAKERBSA-N	218.684	-0.063	50	10	BBGE	
Nc1cc2cc(B(O)O)c(N)cc2s1	307290567	IUAZFKDDYNBKKP-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CO[C@@H](C)CN(C)[C@@H](C(=O)NN)C(C)C	308910398	WOINGZJUSXBKBF-DTWKUNHWSA-N	217.313	-0.032	50	10	BBGE	
CC(C)[C@@H](NC(=O)C(=O)NN)C1CCC1	325162693	HFRFBSOFRNJXOA-MRVPVSSYSA-N	213.281	-0.083	50	10	BBGE	
CN(C)C1CN(Cc2ccccc2B(O)O)C1	382310619	RZZJJWSHRRPETN-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
CN(C)C(=O)CCCNC(=O)NC(=O)CCl	390174433	OZRMXJHQTVGUDN-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
O=C(O)Cc1ccc(B(O)O)c(C(F)(F)F)n1	394701582	QJGCUQYIGREUAF-UHFFFAOYSA-N	248.953	-0.593	50	10	BBGE	
COC(=O)c1cccc(CC(C)=O)c1B(O)O	396134335	ASYZCAZDABVIKK-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1cccc2c(CO)c(B(O)O)sc12	396246269	KCTZWDVABYXKOJ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CO[C@H](CCNC(=O)NN(C)C)C(=O)O	401512791	IQEGWHXCRUBORJ-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)c(C)c1	690070216	ZVLNLQTXTROEMD-GXSJLCMTSA-N	249.075	-0.352	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)CC(F)F	697686961	IDILURMUZQHXLB-SCSAIBSYSA-N	209.196	-0.616	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)C[C@@H]1CO	700399561	SPKSROMSNKQFQH-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703468771	FOHOZHGSXMUJEC-VQVTYTSYSA-N	226.232	-0.963	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C1CC(C(N)=O)C1	703485986	CMIXQUJGQYQWQO-AMDVSUOASA-N	242.323	-0.659	50	10	BBGE	
CC(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O	704387158	WQVITCGFLVMULH-ZETCQYMHSA-N	230.268	-0.763	50	10	BBGE	
CN(C(=O)c1cnn[nH]1)[C@H]1COC[C@@H]1Cl	709427698	APBALUXIFDWYOK-FSPLSTOPSA-N	230.655	-0.117	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)[C@H](C)C(N)=O	711209671	XSDUFILWPNCBAM-RFZPGFLSSA-N	235.671	-0.345	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@@H]3C2=O)n1	715550404	RBSBKEZOHQPKSF-RITPCOANSA-N	236.231	-0.744	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)C[C@H](C)CCl	718218353	OPHUTMGMOFQGRX-HTQZYQBOSA-N	239.724	-0.225	50	10	BBGE	
CN1CCC[C@@H]2[C@H]1CCN2CCCC(=O)NN	720445745	MNBMUBVOGBNAQQ-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
Cn1cc(C(=O)NN=Cc2nccn2C)cn1	735413292	JMSZJBRNZGBKMW-UHFFFAOYSA-N	232.247	-0.083	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)[C@@H]1COCCO1	755891641	JCCJCEMXVSZHMG-IUCAKERBSA-N	230.264	-0.214	50	10	BBGE	
CN(NC(=O)C1CN(CC(F)F)C1)C(N)=O	798302534	XURFMYIRSGIIEQ-UHFFFAOYSA-N	236.222	-0.775	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cc(O)n[nH]1	831854477	XTCNMCRPZZDNCY-UHFFFAOYSA-N	227.224	-0.579	50	10	BBGE	
C/C(=C/C(=O)NNC(=O)c1cn(C)nn1)C1CC1	855185416	YFAXZTCUOSFDJO-ALCCZGGFSA-N	249.274	-0.068	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1	902551354	DKDKMQMUTYDLQE-XHNCKOQMSA-N	227.069	-0.513	50	10	BBGE	
O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC12CC2	1348111192	VJAWNLPKGDFDMF-SSDOTTSWSA-N	235.247	-0.094	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNC(=O)Cc1cc[nH]n1	1464994617	QJFUNVNBGPLVAB-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
CCOC(=O)[C@@H](CC)C(=O)NNC(C)=O	1540496141	HANORUFWKXHHRR-ZETCQYMHSA-N	216.237	-0.257	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1542415216	RMQVKHWEFGAGMT-RNJXMRFFSA-N	239.275	-0.096	50	10	BBGE	
Cn1nnc(C[C@@H](N)CBr)n1	1880235667	XTNWZDPKPMEDCT-SCSAIBSYSA-N	220.074	-0.525	50	10	BBGE	
N[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H]1Br	1880433775	JXPPOFGUMKQCBE-KCDKBNATSA-N	219.082	-0.014	50	10	BBGE	
N#C[C@H](Cl)CN1CCC1(CO)CO	1883377650	PFQGNKBNFCPOCR-ZETCQYMHSA-N	204.657	-0.454	50	10	BBGE	
COC(=O)[C@H](CN)NC[C@@H]1C[C@H]1Cl	1883550295	DWVGRESOUKRGCT-XVMARJQXSA-N	206.673	-0.296	50	10	BBGE	
O=C(O)CS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883563479	LHKURMUJMWETCK-UHNVWZDZSA-N	227.669	-0.382	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC[C@@H](Cl)C1	1885226103	JRLQCITXKMHOQV-RXMQYKEDSA-N	236.684	-0.194	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCN1C	1886783498	LRCJSUXVPWWWIO-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
CN(NC(=O)C1CC1)S(=O)(=O)C1CC1	1888571415	HQZUFBCBRLTKIE-UHFFFAOYSA-N	218.278	-0.148	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2[C@@H](C)CC(=O)NN	1895667821	NFRUWJOACBOHHB-SGIHWFKDSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCSC[C@H](O)CO	1900527765	PECRFZYKTRSJLT-DJLDLDEBSA-N	248.348	-0.521	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(F)C1	1901198566	BCWUFJORYGYLMQ-UHFFFAOYSA-N	220.012	-0.604	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@](C)(O)C2)C(=O)NN	1901323475	KQOZENVVBMYXHL-UYAYMFIHSA-N	227.308	-0.542	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@H]1CN	1901341596	XHTDNGVCVKPAOA-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H]1CCNC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901374174	BSWUMAKCFNBDIW-HTQZYQBOSA-N	249.336	-0.845	50	10	BBGE	
CN(NC(=O)c1ccc(=N)[nH]c1)S(C)(=O)=O	1901376845	GZPJYQJXLLNGJD-UHFFFAOYSA-N	244.276	-0.970	50	10	BBGE	
CN(NC(=O)[C@@]12CC[C@@H]1CCN2)S(C)(=O)=O	1901377208	LGHWQPFHFHTLQU-VXNVDRBHSA-N	247.320	-0.949	50	10	BBGE	
CCCN(CCC)NC(=O)C1(O)CC(N)C1	1902042933	FEWMBKBEPWLIKB-UHFFFAOYSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@](C)(CN1C[C@](C)(O)CO1)C(=O)NN	1902710779	YXPKRSJWEONONA-UWVGGRQHSA-N	231.296	-0.609	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21	1907866270	JKBCDJIKMCBWHL-SGIHWFKDSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC[C@H](O)C2)C1	1908364136	IFSQCWXDPUFMMY-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CCN(c2ccncc2B(O)O)[C@@H]1C	1908480472	TXBMWFNJVWFTOA-LDYMZIIASA-N	236.080	-0.625	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C1COC1	1915652284	ZUJOZAKDLIGMAX-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
C#CCCNC(=O)NNC(=O)C(F)(F)F	1923410773	YVYBHCGNAFTERN-UHFFFAOYSA-N	223.154	-0.098	50	10	BBGE	
C=CCNC(=O)[C@H](C)NNC(=O)C(F)(F)F	1923438749	HDOKJPIBEMNVPW-YFKPBYRVSA-N	239.197	-0.140	50	10	BBGE	
NC(=O)NCC(=O)NCC(Cl)Cl	1923830808	GZCSQVQEGBHIAR-UHFFFAOYSA-N	214.052	-0.425	50	10	BBGE	
CC[C@H](O[C@@]1(C)CCOC1)C(=O)NN	1928533704	HSBXFQSPECUDPQ-CBAPKCEASA-N	202.254	-0.050	50	10	BBGE	
Cn1cnnc1SCC1(C(=O)NN)CC1	1931269740	VIHBZVUBYOUSES-UHFFFAOYSA-N	227.293	-0.323	50	10	BBGE	
Cn1nnc(CN2C[C@@](C)(CCl)C2=O)n1	1931736935	OVLDQQYKIJFPHS-MRVPVSSYSA-N	229.671	-0.203	50	10	BBGE	
C[C@H](Cl)C(=O)NC1CC(NC(N)=O)C1	1932441607	WNNUWOFTOYVGMK-KXGSVCODSA-N	219.672	-0.071	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1935286568	OCYDZBJRAFMGCU-XAVMHZPKSA-N	213.281	-0.790	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)[C@@H](F)C1	1936027542	YPSYWJLKYWBUKL-DTWKUNHWSA-N	233.287	-0.449	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCO)CC1CC1	1936082239	DAHYXBYSEGFDIJ-NXEZZACHSA-N	227.308	-0.683	50	10	BBGE	
CC1(C)COCCN1C[C@@H]1C[C@H]1C(=O)NN	1936087737	FYCRYZDZRWJVRR-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H](C)COC	1936094021	JPJLRPOEZHDNJR-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CC(F)(F)C(=O)NN	1939642920	VWQSWLSZAQBGRA-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)COCCN1CCC(CCO)CC1	1941772021	CMFZBVVGARUYSJ-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
O=C(c1cnccn1)N1CC[C@H](B(O)O)C1	1951320119	CTQKSKIUNPNUGS-ZETCQYMHSA-N	221.025	-0.835	50	10	BBGE	
C[C@@H](Br)C(=O)CN1CC(N)C1	1953310985	RPMMUEOJIQLTIY-RXMQYKEDSA-N	221.098	-0.018	50	10	BBGE	
C[C@@H]1C[C@H](OCCCC(=O)NN)CO1	1956932850	YVKKVJCQHIIHEI-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
CC1(C)CC(=O)N1C[C@H]1C[C@H]1C(=O)NN	1958183095	HKVCEDACCUKRPD-RNFRBKRXSA-N	211.265	-0.377	50	10	BBGE	
CCCc1ocnc1C(=O)NCB(O)O	1958697196	GTOGBQPHEOEUEZ-UHFFFAOYSA-N	212.014	-0.631	50	10	BBGE	
C[C@H](CCC(=O)NN)SCCOCCN	1961085891	GAMWYCUVEISHCP-MRVPVSSYSA-N	235.353	-0.147	50	10	BBGE	
NNC(=O)N1CCC(n2ccnn2)CC1	1961313234	AMFRQOMOVJFBSF-UHFFFAOYSA-N	210.241	-0.502	50	10	BBGE	
CCC(CC)Oc1ncc(B(O)O)cn1	1961686624	FKXZRABQNJAZRK-UHFFFAOYSA-N	210.042	-0.276	50	10	BBGE	
Cc1ncnc(N(C)C2CC2)c1B(O)O	1961706664	YEBKCUNHULANEJ-UHFFFAOYSA-N	207.042	-0.937	50	10	BBGE	
COC[C@]1(C)CCN1[C@H](C)CC(=O)NN	1974734563	NAOXRCURROECRH-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CN(CCC(=O)NN)Cc1cncnc1	1975162169	BTQSWRHNUJBPST-UHFFFAOYSA-N	209.253	-0.712	50	10	BBGE	
Cn1nnc(CNC[C@@H]2C[C@@H](CCl)CO2)n1	1975557811	QOXITDCIQOCDLW-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)CC[C@H]1CO	1979552200	VYRLMZWBUGCUML-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(F)(F)[C@H]1C	1981248641	MXUGHSFVZJMZHR-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C=CCN2)CC1	1983526138	OBTZHQKMHOFHJZ-VIFPVBQESA-N	221.260	-0.609	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC(O)C[C@@H]2C1	1986732597	SIGLRRNYOBTVHO-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@@H]2CC[C@H]21	1988712753	YHFDFCQRARMUED-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
O=C1CN(C[C@]23C[C@H](CCO2)C3)CC(=O)O1	1990105267	MIFYVDGEINZOMF-DKTWLAJQSA-N	225.244	-0.059	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]1C(F)(F)F	1990774147	FIWWZHXGDLLBSS-ZCFIWIBFSA-N	239.197	-0.210	50	10	BBGE	
N=c1nc2ccc(=NC[C@H]3C[C@@H]3Cl)[nH]n2[nH]1	1991439544	STOIUUOQEGZAMP-RITPCOANSA-N	238.682	-0.002	50	10	BBGE	
CO[C@@H]1CN[C@H](CNC(=O)/C=C/C(=O)Cl)C1	1991715422	UOSKJGIJMKBJBR-HZIBQTDNSA-N	246.694	-0.199	50	10	BBGE	
C=C(CN1CCCC[C@H]1CN(C)C)B(O)O	1992167944	SCEIBOUEFYLLPB-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
C=CC(=O)Nc1ccc(OC)c(B(O)O)c1	1993995912	AEQYXIREZNJOJL-UHFFFAOYSA-N	221.021	-0.501	50	10	BBGE	
COCCOC[C@H]1CCN(CCC(=O)NN)C1	1996914892	XLSWLPOXCXLEAB-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
OB(O)c1cc(F)cc(CN2CC(CF)C2)c1	1996958226	XMLLKCUZOQWATJ-UHFFFAOYSA-N	241.046	-0.093	50	10	BBGE	
CC[C@@H](O)CN(CC1(C(=O)NN)CC1)C1CC1	2000012289	VTVUGPPVSPKXKI-SNVBAGLBSA-N	241.335	-0.008	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(CF)C1	2003505621	FDYMDOVCEZSMBC-UHFFFAOYSA-N	241.270	-0.575	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCC[C@H]2C1	2004919704	CDJMBSSQDAFWAQ-DTORHVGOSA-N	233.080	-0.607	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@@H]3C2)n1	2005016564	RCLHSOZWYBXCLQ-RKDXNWHRSA-N	233.080	-0.689	50	10	BBGE	
COCCNC(=O)Nc1cccc(B(O)O)c1	2005208048	RIDKIVVTWVGQIL-UHFFFAOYSA-N	238.052	-0.866	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C[C@@H]1C[C@@H]1C(=O)NN	2006202166	ZBGPVWKTLNHWFE-AJBSGBCOSA-N	239.319	-0.563	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012015293	LZBZQVFKQSRKSR-PSASIEDQSA-N	242.323	-0.789	50	10	BBGE	
Cc1cc(N(C)C[C@H]2C[C@H]2F)ncc1B(O)O	2014736304	VWSBEFKIVOUKDT-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
Cn1cnc(COc2ccccc2B(O)O)n1	2020862824	YQEJVUIGYPPJBZ-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C=C(CN1CCN(C)c2ncccc21)B(O)O	2021158201	YJWPUJMBTHZVPP-UHFFFAOYSA-N	233.080	-0.094	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC2CC1C2	2021282524	GATGJTFRTNAGOX-SFVIPPHHSA-N	234.064	-0.276	50	10	BBGE	
O=C(C[n+]1ccccc1)N/N=C1\CCOC1	2033808702	FDWVYBMQNGSIIE-ZRDIBKRKSA-O	220.252	-0.133	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1ncc(B(O)O)cn1	2211060593	WYYBASFJZHTWGQ-RCOVLWMOSA-N	226.016	-0.717	50	10	BBGE	
OB(O)c1csnc1CN1CCC2(CC2)C1	2211137778	LAAMHAJDDHRFIS-UHFFFAOYSA-N	238.121	-0.191	50	10	BBGE	
OB(O)c1ccc(NC2[C@H]3CCC[C@H]23)nc1	2212612088	HYMFAGFUUYLAQH-IUCAKERBSA-N	218.065	-0.028	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC(C)(C)N	2214603631	WRENQSNDKHGBDL-UHFFFAOYSA-N	236.124	-0.465	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC12CN(C)C2	2216606940	MWTGSBQVHLLGQR-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1nccc(B(O)O)c1F	2217179008	DSNSEOKJFABIEI-JGVFFNPUSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCC2CC2)c1F	2217180534	UISAIODCWVIENA-UHFFFAOYSA-N	238.071	-0.076	50	10	BBGE	
CC[C@@H](COC)Oc1cc(B(O)O)c(C)cn1	2217181288	ZRBLGXLBXHACCJ-VIFPVBQESA-N	239.080	-0.126	50	10	BBGE	
CN(C[C@@H]1CCOC1)c1cc(B(O)O)ccn1	2217200255	RWQDMQDZPGPPGZ-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
Cc1cnc(NC[C@H]2NCC2(C)C)cc1B(O)O	2223643714	ZGVCEMCCCSCJSK-SNVBAGLBSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccc(=NCCc2cccnc2)[nH]c1	2223665398	FWPLRYISLRJVSF-UHFFFAOYSA-N	243.075	-0.767	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cncn1C	2223670803	CVZXKJPNDLTFLQ-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
CC(C)(CCO)CNC(=O)C1(B(O)O)CC1	2243365777	RYZQSOVUQZVFTJ-UHFFFAOYSA-N	229.085	-0.482	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)[C@H]1C[C@@H]1B(O)O	2243396150	IIKAUPRNIALZMF-AZQAYCESSA-N	225.053	-0.856	50	10	BBGE	
C[C@H](O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396558	NUTRIJGSFHFDPW-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1coc(B(O)O)c1	2243399137	XGOVSRPSHLPSLB-QMSLJYSESA-N	221.021	-0.902	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)CCO	2243426122	FGQFODWBEXNJKM-JGVFFNPUSA-N	229.085	-0.531	50	10	BBGE	
CC#CC(=O)NCc1sc(C)cc1B(O)O	2243665268	QVSJUIFUZBTMTE-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
Cc1nscc1C(=O)NCCC#CB(O)O	2244549521	DVHHSWOJBRAZGA-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
C=CC[C@@]1(CO)CCN([C@H](C)C(=O)NN)C1	2244832978	LFEOSOHMVVWGIZ-MWLCHTKSSA-N	227.308	-0.375	50	10	BBGE	
C=CC1CN(C(=O)c2ccoc2B(O)O)C1	2245433185	NFVUALORGRSBPG-UHFFFAOYSA-N	221.021	-0.783	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCOC(F)F)n1	2246673984	UZVLZDWHXPLIAJ-UHFFFAOYSA-N	247.994	-0.917	50	10	BBGE	
CCC(CC)NC(=O)c1ccncc1B(O)O	2247722146	KJYQEADTCMTXIO-UHFFFAOYSA-N	236.080	-0.320	50	10	BBGE	
O=C(N1CC(OC(F)F)C1)C1(B(O)O)CCC1	2247731922	ASQLUJKCRORAHT-UHFFFAOYSA-N	249.022	-0.167	50	10	BBGE	
C[C@H](CNC(=O)c1coc(B(O)O)c1)C1CC1	2247732166	CQHADUZDJURGQJ-SSDOTTSWSA-N	237.064	-0.265	50	10	BBGE	
C=C1CCN(C(=O)c2ccncc2B(O)O)C1	2247738232	OQHHSNVICHKZCZ-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)C1(B(O)O)CCC1	2247738355	QNULIRXKBYREAD-JGVFFNPUSA-N	245.059	-0.373	50	10	BBGE	
CCON(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247741607	CAKVLJNHOBKCLC-UHFFFAOYSA-N	240.068	-0.503	50	10	BBGE	
O=C(C#CB(O)O)NC1([C@@H]2CCCO2)CCC1	2247742968	WVVLTPULPUDUDK-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
O=C(C#CB(O)O)N1CCCO[C@@H]2CCC[C@@H]21	2247744392	SBRGOBVDAXNGRG-VHSXEESVSA-N	237.064	-0.828	50	10	BBGE	
CCN(C(=O)c1ncc(B(O)O)cn1)C(C)C	2247745670	MWTXKZOPSKCRJC-UHFFFAOYSA-N	237.068	-0.973	50	10	BBGE	
NC1(CNC(=O)C2(B(O)O)CC2)CCCCC1	2247751218	UYWJMPWSLQFRFZ-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(C(=O)C2(B(O)O)CC2)C1	2247753978	KQLXCRMNGPRLMB-SFYZADRCSA-N	245.059	-0.421	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2C[C@@H]2F)c1B(O)O	2247761370	UMNBMPWGTHLZPN-IUCAKERBSA-N	237.039	-0.485	50	10	BBGE	
C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786994	JREOXXDRZUXZBI-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2OCC[C@@H]2C1	2247789794	BNCJSYMORBNSGV-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)C2CC(B(O)O)C2)C[C@@H]1C	2247798010	PLLOPCGCBMFPBK-MSIFESELSA-N	239.080	-0.120	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@@H]1B(O)O	2247808540	LNVREVGVMIKKGP-YUMQZZPRSA-N	231.020	-0.823	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C(=O)C1CC(B(O)O)C1	2247808560	VIGLYILPQTVQRK-AFWXGSBKSA-N	241.096	-0.125	50	10	BBGE	
N=c1ccc(CNC(=O)C2(B(O)O)CC2)c[nH]1	2247878989	OTSURUKAHRWORG-UHFFFAOYSA-N	235.052	-0.883	50	10	BBGE	
O=C1C[C@H](C(F)F)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247899246	LSSVCFXIBVYXTA-HCWXCVPCSA-N	247.006	-0.511	50	10	BBGE	
CCCC[C@H](CN)NC(=O)C1CC(B(O)O)C1	2247909705	KUTFQEIDNBROPZ-UDNWOFFPSA-N	242.128	-0.127	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C=C[C@H]1CC2	2248420191	PAIFLBQLTKVYHT-GARJFASQSA-N	233.076	-0.280	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)co1	2249409328	VJDRATJVTANXBI-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(B(O)O)o1	2255463688	MDRLEOAEJUSIFA-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CC[C@H]1C2	2255463963	PLCYPEYOXIVTGB-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)c(OC)c1	2255554108	IGQOYYIAHSEBEW-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2CC[C@H]2C)c(B(O)O)c1	2255556406	OVGPJJUVSZEZHY-PSASIEDQSA-N	248.091	-0.402	50	10	BBGE	
NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2255569981	BBJLQXRHAVJLHH-SFYZADRCSA-N	248.047	-0.413	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2CCC[C@H]21	2255717966	RTPXGLKERQJBOY-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255728480	GWUWPQNPDNIOQV-PSVAKVPMSA-N	249.075	-0.265	50	10	BBGE	
C#CCCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2256597215	DOODGQBJURWLAE-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C[C@H](O)CCl	2297113031	HLUHTZWGVSIEMK-CSMHCCOUSA-N	223.700	-0.598	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)C1(B(O)O)CC1	2298367978	GGWQQSMQPVLEEO-JBDRJPRFSA-N	238.096	-0.765	50	10	BBGE	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)[C@@H]1C[C@H]1B(O)O	2298369618	ACTDSKPXRAJGLY-PEBGCTIMSA-N	241.096	-0.221	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)[C@@H]2CC[C@@H]21	2298369941	JNVVIMQZJXVYOS-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1B(O)O	2298376729	LIZODEOGNQPYDH-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303107765	BYPFCLIOLOQXSD-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CC(CO)C[C@@H](C2)C1	2303133254	WARPHTKVUZBETA-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303837376	ZSXQYFMEWRKDAZ-RKDXNWHRSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(B(O)O)c1	2309544024	NWNOHTIRPNNKGK-WYFGTUCQSA-N	244.103	-0.086	50	10	BBGE	
Cc1ncnc(N(C)C2[C@@H](C)C[C@@H]2C)c1B(O)O	2316994281	IZNCOZZIICIDLK-YUMQZZPRSA-N	249.123	-0.054	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2ccc(B(O)O)cc2C#N)C1	2317161272	LNYXNLNKHMYQKD-PHIMTYICSA-N	246.075	-0.173	50	10	BBGE	
CC[C@@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2317164897	FNZZFAMQKKEAGI-LLVKDONJSA-N	247.107	-0.588	50	10	BBGE	
CC[C@](C)(N)COc1ccc(B(O)O)cc1C#N	2317206494	OOLWQNQXIDLUJV-LBPRGKRZSA-N	248.091	-0.256	50	10	BBGE	
C=CCOCCNc1ccc(C=O)c(B(O)O)c1	2317351782	OADHRMZOEOGPBC-UHFFFAOYSA-N	249.075	-0.207	50	10	BBGE	
NCC(=O)NNC(=O)c1ccccc1F	49814855	RBPRSYDEMHQHPL-UHFFFAOYSA-N	211.196	-0.455	50	10	BBGE	
CNCCN(C)CCCCCC(=O)NN	70652499	QQQSORLEPUKNSD-UHFFFAOYSA-N	216.329	-0.312	50	10	BBGE	
NNC(=O)c1cn(CCOC2CCC2)nn1	82465267	PJKDRZPHVIRIGE-UHFFFAOYSA-N	225.252	-0.549	50	10	BBGE	
NNC(=O)CCCCN1CCCNCC1	82470533	YODWAENQCSWMPR-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
C[C@H](CSc1ncn[nH]1)C(=O)NN	82471869	DTKRCLANRDWWSB-SCSAIBSYSA-N	201.255	-0.477	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCC[C@@H]2C1	86933503	SLNPJSCFLZCMMG-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
Cc1nc(C)n(Cc2ccccc2B(O)O)n1	199006576	KQPKNIYOXRFCJJ-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H](C)O1	199014041	ZLMMFGHXWANQJR-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)C[C@@H](C)O1	199014075	CPSBSQKHPTYMMS-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
C[C@@H](Cc1ccc(B(O)O)cc1)N1CCOCC1	225082705	SRFDUWUCTRUNGS-NSHDSACASA-N	249.119	-0.370	50	10	BBGE	
Cc1nc(CNC(=O)NC(=O)CCl)no1	231838054	MJAQDLJUCHDUAD-UHFFFAOYSA-N	232.627	-0.057	50	10	BBGE	
Cc1nc(CCNC(=O)NC(=O)CCl)no1	231912783	PSBJXZUXVNXORL-UHFFFAOYSA-N	246.654	-0.015	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCCl)C(N)=O	232296160	PXWLPGZKFAVMEW-SCSAIBSYSA-N	214.674	-0.982	50	10	BBGE	
O=C(O)Cc1ncc(B(O)O)cc1Cl	238633443	XSIXMPHDDFXDTB-UHFFFAOYSA-N	215.401	-0.958	50	10	BBGE	
N[C@H](CO)C(=O)NNCc1ccccc1	238687275	ZWNVLRWZYFFEMM-SECBINFHSA-N	209.249	-0.873	50	10	BBGE	
O=C1NC(=O)[C@@]2(CC[C@H](CCB(O)O)C2)N1	256001997	SPQZGESMALLEIK-MUWHJKNJSA-N	226.041	-0.772	50	10	BBGE	
CC(=O)c1ccc2c(c1B(O)O)OCO2	258119611	SXIYCDIMEUTPKK-UHFFFAOYSA-N	207.978	-0.702	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](O)CCl)C[C@H]1OC	300043327	WIPFZWXRUWAYEE-DJLDLDEBSA-N	223.700	-0.068	50	10	BBGE	
NNC(=O)c1cccnc1Cn1cccn1	300744799	IPSKWOMDUBMWJL-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
C[C@@H](CC(=O)NN)SCC(=O)N(C)C	300917415	YGRHLTRQDRJFCB-LURJTMIESA-N	219.310	-0.424	50	10	BBGE	
Cn1nnnc1N[C@H]1COC[C@H]1Cl	306278761	QMGZBALOHIAIPZ-UHNVWZDZSA-N	203.633	-0.372	50	10	BBGE	
Nc1ccc(B(O)O)c2scc(O)c12	306560522	BFKASXUPYIDGCP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CS[C@H]1CCN([C@H](C)C(=O)NN)C1	307452976	ULPLYFBXMFLXKT-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
O[C@@H]1[C@H](F)O[C@H](CCl)[C@H](O)[C@H]1O	307516902	TWUKFHBIOCRRBD-FDROIEKHSA-N	200.593	-0.998	50	10	BBGE	
NC(=O)C[C@H](N)C(=O)NCC(Cl)Cl	308206339	IEHBBSMHZYQBGI-VKHMYHEASA-N	228.079	-0.891	50	10	BBGE	
COC[C@H]1CCC[N@+]12Cc1ccccc1[B-]2(O)O	310639408	SIVRDQIYIGTHMD-DOMZBBRYSA-N	249.119	-0.044	50	10	BBGE	
N#C[C@@H](Cl)CN(CCO)CCCO	385764414	IXNGESYTAQFLSQ-MRVPVSSYSA-N	206.673	-0.206	50	10	BBGE	
CC(=O)OCCCc1ccc(B(O)O)cc1	390065674	ZKSYLHIAVGAJHW-UHFFFAOYSA-N	222.049	-0.138	50	10	BBGE	
C[C@H](CCl)C(=O)NCCc1nc(=O)o[nH]1	392190262	WZGMSJNRPWQBMF-RXMQYKEDSA-N	233.655	-0.104	50	10	BBGE	
CC(C)(CCN1CC[C@H](CN)C1)C(=O)NN	395588671	HFLWXPGPYAMLOO-SECBINFHSA-N	228.340	-0.327	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1OC	396033741	RFEQOYQJKOQPNI-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
COC(=O)CCc1ccc(F)c(B(O)O)c1	396036531	CDJVEDSRTIEXSL-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
CCOC(=O)c1nc2c(B(O)O)cccc2[nH]1	396059788	YUWIRJFHLTUTBC-UHFFFAOYSA-N	234.020	-0.581	50	10	BBGE	
CSc1ccc(F)c(B(O)O)c1O	575705467	JLJCNLJQZXMPIW-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@H]1OCC[C@@H]1NC(=O)c1cccc(B(O)O)c1	584968746	MZLZNIGWJHAKSP-KCJUWKMLSA-N	249.075	-0.726	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584989424	ODYQJFXAJAWRMX-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
OB(O)c1ccc(CNC[C@H]2CCC[C@@H]2O)cc1	585027765	ZNLUVILRMBWFEC-YPMHNXCESA-N	249.119	-0.383	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CO)CC[C@H]1C	688740833	JWZYFEARCITSSE-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
CC(C)(C)CN(CCO)CCC(=O)NN	689946911	VSFWTYAYLNNKHW-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
Cc1cnc(NN)nc1N1CCC(O)(C#N)CC1	692151986	ONFNTDIFGTVUPQ-UHFFFAOYSA-N	248.290	-0.075	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C(=O)NN)C[C@@H](C)O1	694790600	UMYLMOWGLNVILK-KVSKUHBBSA-N	215.253	-0.952	50	10	BBGE	
CC[C@@H](NS(=O)(=O)CCl)C(=O)NC	697904989	KCEKEGMVGKTEPC-RXMQYKEDSA-N	228.701	-0.373	50	10	BBGE	
CC(C)(C)C(=O)NCCC(=O)NNC(N)=O	700877619	VARFITDQQUJCPJ-UHFFFAOYSA-N	230.268	-0.762	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@H]1C(=O)O	703093372	ZIISOFNFHMTFLB-NTSWFWBYSA-N	217.225	-0.996	50	10	BBGE	
Cc1nc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)no1	703424677	IRVDNMVUZCMJCV-BQBZGAKWSA-N	237.215	-0.206	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=O)C1CCC1	705965715	DSICSAKIJAMRDL-ZCFIWIBFSA-N	201.226	-0.499	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710326072	RNEAIAUOKONJBU-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](F)[C@@H](F)C1	714557814	FUTBLAOUKHYEDR-VQVTYTSYSA-N	207.224	-0.253	50	10	BBGE	
NC(=O)NNC(=O)C1CC2(CSC2)C1	718478826	JRKMNXNGVRTYQN-UHFFFAOYSA-N	215.278	-0.171	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCC(=O)NN)CCO1	721487066	ZEFZCHOSKCATNZ-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	724143188	WNWMVKJCYDBMFL-STQMWFEESA-N	249.119	-0.024	50	10	BBGE	
CN(NC(=O)[C@H]1CCC(C)(C)O1)C(N)=O	787486652	ZWCDPKFFUFVBPO-ZCFIWIBFSA-N	215.253	-0.014	50	10	BBGE	
C=CCNC(=S)NNC(=O)Cn1ccnc1	798306499	JRKHVAOFJRUASY-UHFFFAOYSA-N	239.304	-0.436	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCS1	854984471	CMMMZABBRRIOHH-RQJHMYQMSA-N	230.289	-0.424	50	10	BBGE	
C#Cc1ccc(C(=O)NNC(=O)CO)cc1	1161080665	QWTXVWZTBPZJOK-UHFFFAOYSA-N	218.212	-0.579	50	10	BBGE	
CN(NC(=O)c1ccc2ncn(C)c2n1)C(N)=O	1295201739	PSZQZJRMEQBVKE-UHFFFAOYSA-N	248.246	-0.376	50	10	BBGE	
CCn1nccc1S(=O)(=O)NNC(=O)NC	1342789224	DBYRFGZKAPYXQJ-UHFFFAOYSA-N	247.280	-0.975	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1C[C@H]1F	1347008898	IUYJLKVOJUKHJD-FSDSQADBSA-N	216.212	-0.329	50	10	BBGE	
O=C(CCCc1nn[nH]n1)NNc1cccnn1	1446658093	BHUOPAWYUULYKT-UHFFFAOYSA-N	248.250	-0.544	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1ccnnc1	1469117631	UGGUQWLLJOKZEY-UHFFFAOYSA-N	246.230	-0.866	50	10	BBGE	
CC(=O)NNC(=O)c1nc2ncc(C)cn2n1	1540496200	JCIPKUPQOUTSMK-UHFFFAOYSA-N	234.219	-0.786	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CC1(F)F	1626812812	KDJPMZBHQRIBCV-SCSAIBSYSA-N	207.180	-0.008	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1cc[nH]n1	1629180423	XAXHGOSWFBKXDV-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
N#CC1(C(=O)NNC(=O)CO)CC2(CC2)C1	1650910004	ZTCYKTDOOHFDMP-UHFFFAOYSA-N	223.232	-0.790	50	10	BBGE	
CO[C@@H]1CNC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1877520176	JWIHNBRSRJAEFU-FKSUSPILSA-N	218.684	-0.283	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](N)[C@H]1C[C@@H]1Cl	1883645532	PRNBSOSMJDMCAH-ACZMJKKPSA-N	226.729	-0.168	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C(=O)CCCl	1885617639	YXQZZLJVPJDYCT-POYBYMJQSA-N	221.684	-0.042	50	10	BBGE	
NNC(=O)N[C@@H]1CO[C@@H](C(F)(F)F)C1	1886612910	FLVLKDUTEAWFBN-IUYQGCFVSA-N	213.159	-0.121	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCN1C	1886783613	MRPCIKKRZBMJHB-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
Cc1c(CS)cc(C=O)cc1B(O)O	1887520703	COYRABGSPVEIFU-UHFFFAOYSA-N	210.063	-0.083	50	10	BBGE	
CC(C)(CCF)CNC(=O)C(=O)NN	1888715344	AGICIYBNRGIUIK-UHFFFAOYSA-N	205.233	-0.522	50	10	BBGE	
O=S(=O)(CCl)NC[C@@]1(CO)CCCO1	1890921139	PSFGRUOMGZJEBP-SSDOTTSWSA-N	243.712	-0.356	50	10	BBGE	
CCC[S@](=O)N1CC[C@@H](B(O)O)C1	1891606815	JHYKQXFCXJAZHJ-UHLUBPPHSA-N	205.088	-0.391	50	10	BBGE	
NCc1nc(=NC(=O)[C@H]2C[C@@H]2Cl)s[nH]1	1893468954	DHBDZOBRPJYXQB-IMJSIDKUSA-N	232.696	-0.016	50	10	BBGE	
CCn1c(C)nn([C@H](C)CC(=O)NN)c1=O	1894149251	HPEZXKGZVXMMRK-ZCFIWIBFSA-N	227.268	-0.686	50	10	BBGE	
Cl[C@@H]1CN(CCn2cnnn2)[C@@H]2COC[C@H]12	1894247989	YEZXVMZJJOHRON-IWSPIJDZSA-N	243.698	-0.389	50	10	BBGE	
COC[C@H](O[C@@H]1CCO[C@H](C)C1)C(=O)NN	1897966050	REIPZMTWIKNOIH-HLTSFMKQSA-N	232.280	-0.425	50	10	BBGE	
CN(NC(=O)c1ccncc1O)S(C)(=O)=O	1901341790	ZZAIYTLQBGQPMJ-UHFFFAOYSA-N	245.260	-0.677	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCOCCO1	1901761185	BUZLCGTVHSFWAM-SECBINFHSA-N	231.296	-0.201	50	10	BBGE	
C[C@@]1(CN2CC[C@@H](B(O)O)C2)COCCO1	1902541748	ROQNSWOJXYURRJ-NXEZZACHSA-N	229.085	-0.659	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3CCC[C@@H]32)n1	1902643209	XVPLGECZAHHIIX-SFYZADRCSA-N	238.121	-0.193	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907250167	RKRBCVFXMIVRIL-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC[C@H](F)C2)O1	1909809405	WQDJIWBLZMZACC-AEJSXWLSSA-N	245.298	-0.042	50	10	BBGE	
Cc1nn(C)c(C)c1C=CC(=O)NCB(O)O	1911761903	GGJHNQFCFDAGAR-UHFFFAOYSA-N	237.068	-0.822	50	10	BBGE	
NNC(=O)CCN1C[C@@H](CO)C2(CCC2)C1	1914023886	VALMBFCQUYIHAQ-VIFPVBQESA-N	227.308	-0.539	50	10	BBGE	
N#CC1=CCN(C(=O)NCC(=O)O)CC1	1917045866	BKGVHKRJMXVRLH-UHFFFAOYSA-N	209.205	-0.064	50	10	BBGE	
COCC[S@@](C)(=O)=NC[C@H](C)C(=O)NN	1918072421	PGTQYMWXHHIJJP-NZFNHWASSA-N	237.325	-0.643	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)NCCO	1923439856	CHUGQWGLCWLPBI-UHFFFAOYSA-N	219.241	-0.282	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)C[C@@H]1CCCO1	1926589445	JGOYLVCZKMYROF-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CN(OCc1ccccc1)C(=O)C(=O)NN	1928705133	XAULSAQYJZHECG-UHFFFAOYSA-N	223.232	-0.434	50	10	BBGE	
CCN(CCC(=O)NN)C1CN(C)C1	1929070674	VHSDITXYQYXTTF-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H]1CCS[C@H]1C(=O)NNC(N)=S	1930928329	OETOQCCLKGALFR-RFZPGFLSSA-N	219.335	-0.008	50	10	BBGE	
NNC(=O)CCn1cnc(C2CCC2)n1	1931390218	AUKIWQRHWSPNDF-UHFFFAOYSA-N	209.253	-0.074	50	10	BBGE	
O=C1NC[C@H]2CN(C(=O)CCl)CC[C@@H]12	1935276165	IQWAUZOEBPKJOW-NKWVEPMBSA-N	216.668	-0.180	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CCO)CC1	1938246306	GUCNKYJKBANQEL-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C(C)(F)F)C1	1938437879	ITISYGGBSZLDTB-SSDOTTSWSA-N	237.250	-0.422	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(O)(C2CCC2)CC1	1940292374	WHCSUZDNDMZSKA-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CCCCN(CC(N)=O)C[C@H]1C[C@@H]1C(=O)NN	1941084885	AHDSMDQSFLJXDX-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1941085157	BYZKXCOUEJGNEM-BQBZGAKWSA-N	239.275	-0.603	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCOCC12CCCC2	1944685888	ROHCCBBKEGBERI-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
CN(c1nc(B(O)O)cs1)C1CCC1	1956963837	DKHMKODUPAATIZ-UHFFFAOYSA-N	212.083	-0.188	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CC[C@@]12CCCO2	1958754081	REOYNJLWLWLBTF-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1958774653	JHQVRXVBTNHUCQ-VCQFTWBDSA-N	233.695	-0.186	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CC[C@H]1C2	1961036599	VAAZJSDCGZUSHQ-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C)ncc1B(O)O	1961705651	GDFMASRUIITTOS-LURJTMIESA-N	207.042	-0.937	50	10	BBGE	
CSCC(=O)N1CC[C@H](B(O)O)C1	1964510546	MSDRGMAGJKEQHM-LURJTMIESA-N	203.072	-0.575	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccc(B(O)O)cc1	1969322835	KEVRUOQBMGDSHA-MRVPVSSYSA-N	241.002	-0.496	50	10	BBGE	
O=Cc1cc(B(O)O)c(Cl)cc1[N+](=O)[O-]	1974576975	DSSILQUBSDMWTQ-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)CCC(=O)NN	1974927875	WWMGAWQYCACRRR-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cnco1	1977388625	YQXMAAHDESNJAM-QMMMGPOBSA-N	228.252	-0.889	50	10	BBGE	
COC[C@@H](C(=O)NN)N(OC)C1CCCC1	1978745247	AZIYSHLUBURPSJ-VIFPVBQESA-N	231.296	-0.203	50	10	BBGE	
CC(C)(CN1CCCC[C@H](O)C1)C(=O)NN	1980516717	ARERAZFSXLAIBE-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1CCN1Cc1c(C(=O)NN)cnn1C	1980592915	KYOROQGNPYLWEZ-SSDOTTSWSA-N	223.280	-0.382	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1N(C)[C@H](C)C(=O)NN	1980816966	HRTRLFZSCAJIQB-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
NNC(=O)CCN1CCS[C@H]2COCC[C@H]21	1980828144	LEANSZAEDGNVFB-BDAKNGLRSA-N	245.348	-0.427	50	10	BBGE	
C[C@H]1CCCN1c1ncc(B(O)O)cc1F	1981468547	DOOAJWCLOUVFFA-ZETCQYMHSA-N	224.044	-0.111	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1(F)CCC1	1983902984	HWWVVYMHKZWTNE-QMMMGPOBSA-N	233.287	-0.185	50	10	BBGE	
O=C1NC[C@H](CN=c2[nH]nc(CCCl)o2)O1	1987120826	JJBHHILRPKYQQB-YFKPBYRVSA-N	246.654	-0.207	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1C[C@H]1Cl	1991681319	ZLXCNDGXAHPEEF-RKDXNWHRSA-N	239.467	-0.068	50	10	BBGE	
NC(=O)NCC1CN(C(=O)/C=C/C(=O)Cl)C1	1991712968	NFYJWGDTJKJKHU-OWOJBTEDSA-N	245.666	-0.565	50	10	BBGE	
CCn1nnc(CNC[C@H](Cl)C(=O)OC)n1	1992011454	FQCWWBFVPWGINU-LURJTMIESA-N	247.686	-0.437	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@@H]2N)CC1	1994858519	IEJMQZQQDIUGBU-BDAKNGLRSA-N	223.276	-0.399	50	10	BBGE	
Cc1nc([C@@H]2CCN2[C@H](C)CC(=O)NN)no1	1997764177	GEZWDESKFIVGOB-SVRRBLITSA-N	239.279	-0.107	50	10	BBGE	
C[C@@](CO)(C(F)F)N1[C@H]2CC[C@H]1C(=O)OC2=O	1998353954	YBXHMURLFGABGX-JFWOZONXSA-N	249.213	-0.081	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1998445018	DYKDMLUWJOPPJU-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC2(CCCCC2)CO1	2001542916	GSANHOMWXBDERD-SECBINFHSA-N	241.096	-0.146	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2001834741	IJSTXJJUWWJNDH-OMHSBUABSA-N	239.319	-0.421	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H](F)C2(O)CNC2)CC1	2004717806	JDRVLCQPQVTKIU-SECBINFHSA-N	239.250	-0.659	50	10	BBGE	
OB(O)c1cncnc1N1CC(CC(F)F)C1	2004919147	VDGZUNSPFJDFGG-UHFFFAOYSA-N	243.022	-0.752	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)c1ncccc1B(O)O	2004934086	BTAAFGXWUPMPFL-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
Cc1ccnc(OC2CCOCC2)c1B(O)O	2004934498	FYBOGTJVGWOCQH-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@H]3C[C@H]32)n1	2004972438	FURPZWVEEWTOHG-ZJUUUORDSA-N	234.064	-0.953	50	10	BBGE	
CCC1(F)CN(c2nc(C)ncc2B(O)O)C1	2005017363	DHFHVRAZXQOGEL-UHFFFAOYSA-N	239.059	-0.597	50	10	BBGE	
C[C@@H](O)[C@H]1CN(CC(C)(C)C(=O)NN)CCO1	2005913036	NXUMJJNFIOHWJY-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C[C@@H](CCO)O1	2009337519	MLWUGBIJVAQQMI-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@](C)(CN(C)CC(=O)NNC(C)=O)OC	2019177057	MXPBJWRGQQXBKD-NSHDSACASA-N	245.323	-0.099	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnn(C2CC2)c1	2020067289	FWIZKBIMEMVYLB-UHFFFAOYSA-N	235.052	-0.484	50	10	BBGE	
Cn1cnc(COc2ccc(B(O)O)cc2)n1	2020862564	SWRNZEMFPMITPQ-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C=C(CN(C)Cc1cnc2n1CCC2)B(O)O	2021158749	HVNJYOSIYGVWGT-UHFFFAOYSA-N	235.096	-0.171	50	10	BBGE	
CC(C)(CCN1C(=O)CCNC1=O)C(=O)NN	2025818848	KRQAZNYSZQFHND-UHFFFAOYSA-N	242.279	-0.666	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)[C@H](C)C2)ncc1B(O)O	2052555116	CSVSICMIIPUJNK-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)c1ccncc1B(O)O	2054287983	UGHXFAFDBKKZBK-OWUUHHOZSA-N	248.091	-0.910	50	10	BBGE	
O=C(Cc1ccccn1)N[C@@H]1CCC=C1B(O)O	2076081473	JGEHZWIOSLSXEK-LLVKDONJSA-N	246.075	-0.159	50	10	BBGE	
NNC(=O)c1ccc(CN2[C@@H]3COC[C@H]2C3)nc1	2077821117	TUWPZMPXHOJMNI-PHIMTYICSA-N	248.286	-0.342	50	10	BBGE	
O=C1COC2(CN1)CN(C(=O)[C@@H]1C[C@H]1Cl)C2	2208840771	AGGXJYNOZHKLNS-RNFRBKRXSA-N	244.678	-0.659	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CO)CC1CC1	2209568190	MTMLTQBNCWGXHH-MRVPVSSYSA-N	201.270	-0.931	50	10	BBGE	
OB(O)c1ccc(SC2COC2)nc1	2210066533	VYDBTFLCXOFYHT-UHFFFAOYSA-N	211.051	-0.748	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838139	COVDGLNFIGRCMN-YWVKMMECSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H]1[C@H]2CO	2215772920	QYSFJYWAYSROGK-GEVSDDDWSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCO[C@H](CF)C1	2215777297	RQAOQMYJAARQNX-OPRDCNLKSA-N	245.298	-0.327	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CCC1	2216491434	VTJQBKVKNPCIPB-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CCC2)C[C@@H]1O	2216494710	DQHKNSGGPAQLGZ-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1NCC[C@@H]1COc1ncccc1B(O)O	2217173169	NXUWMZZTNJUGRQ-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@@H]2O)cc1B(O)O	2217182029	YDYXTCLAIJQLKY-WPRPVWTQSA-N	236.080	-0.747	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CCN[C@H]3C2)c1	2220063335	LGOVNUGQGYLQID-YPMHNXCESA-N	246.119	-0.840	50	10	BBGE	
Cc1cnc(N2CCCNC[C@H]2C)cc1B(O)O	2223651468	CCFYIBXWLLBXDF-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCC23CNC3)c1	2223671167	ILCPUTCDOULSMT-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)[C@H]1C[C@@H]1B(O)O	2241495827	MZQZMYNUQTVPTM-VAYJURFESA-N	204.969	-0.627	50	10	BBGE	
C[C@H](CS[C@H]1CC[C@@H]1O)C(=O)NN	2242410037	VSJXWIJHLNZJOI-VQVTYTSYSA-N	204.295	-0.131	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]3(O)C[C@@H]3C2)CC1	2242811743	YAUGJNWULFJNEC-LDYMZIIASA-N	225.292	-0.787	50	10	BBGE	
O=C(C#CB(O)O)NC1CC2(CC(F)C2)C1	2243349465	LYBYIWPTWNPURW-UHFFFAOYSA-N	225.028	-0.601	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC(F)(F)C1	2243349902	SEZAZBDHDZJQCT-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2243357569	YOIOCNNEADBLEQ-LURJTMIESA-N	222.053	-0.777	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(COC2)C1	2243381689	IJXGZKQXMXVSTC-OCAPTIKFSA-N	225.053	-0.902	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CC[C@@H]1N	2243392582	VDZFXBLXZAHILO-PEBLOWIWSA-N	226.085	-0.813	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)no1	2243392758	WVNZWRKWILBTAE-JGVFFNPUSA-N	224.025	-0.538	50	10	BBGE	
C/C=C/CNC(=O)c1nc(C)sc1B(O)O	2243415156	PHBGEEVPVKRNKH-ONEGZZNKSA-N	240.093	-0.563	50	10	BBGE	
C#CCC(=O)Nc1cc(B(O)O)ccc1Cl	2243684802	HEWAHDRHBUQAHJ-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
O=C(NCC=C(F)F)c1cc(B(O)O)cs1	2243767589	DVMHVEGFZRJLSD-UHFFFAOYSA-N	247.031	-0.062	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccnc1O	2244988182	JTMOYCDMCSMDGO-ZETCQYMHSA-N	224.264	-0.403	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@]2(O)C[C@H]2C1	2246741828	IPIFNPSYMRRXGM-JQWIXIFHSA-N	241.335	-0.007	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ncc(B(O)O)cc1F	2247750394	IXVRDPWYYLUEMK-LURJTMIESA-N	238.027	-0.865	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1B(O)O	2247752722	UWUBLSCPQNUQKY-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1CCn2ccnc2C1)C1(B(O)O)CC1	2247753218	CWSZWHXMXGALHH-UHFFFAOYSA-N	235.052	-0.768	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2247769235	GDVMKKKEKZTHKV-OIBJUYFYSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786875	HZBNMCLEFKYDEI-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
COC[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)OC	2247787101	KWBKDWQDFUECQF-YIZRAAEISA-N	245.084	-0.983	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787577	QSXHSEIERMRUSU-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](O)C2(CC2)C1	2247787820	VLAMLNNDIGUCQW-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCOC1	2247791075	LCUOCBQUOGPTNY-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1O)C1CC(B(O)O)C1	2247798110	QEZWADFDFSVDMD-QLEHZGMVSA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@@H]1CC12CCNCC2)[C@@H]1C[C@H]1B(O)O	2247798679	WFJHEGFOXGWNIQ-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1nccn1C	2247806849	GOLKEDYGBLEDCN-BIIVOSGPSA-N	237.068	-0.540	50	10	BBGE	
N[C@@H]1CCCC12CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247809117	NYQHKZVOUBDGNV-IWSPIJDZSA-N	238.096	-0.811	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCC[C@H](O)C1	2247851988	NAALBGQNALSFNS-UWVGGRQHSA-N	239.080	-0.941	50	10	BBGE	
CC1(C)OCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247853111	GMDNPZFQQLYFOT-QMMMGPOBSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](CF)NC(=O)c1cc(F)ccc1B(O)O	2247853317	KCQHXHHBDUGBDS-ZCFIWIBFSA-N	243.018	-0.407	50	10	BBGE	
CC1(C)CNCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247860400	WNTDUUWZRALNAO-RKDXNWHRSA-N	240.112	-0.693	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2247869348	PXNPMCSJIVFCPQ-XVKPBYJWSA-N	234.064	-0.710	50	10	BBGE	
O=C(N[C@]12CCOC[C@H]1C2)C1(B(O)O)CCC1	2247877696	IYOBIPCUYNATDC-KCJUWKMLSA-N	239.080	-0.321	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1C[C@H]2C=C[C@H]1C2	2247885669	PDWNCIPZSKUWSE-CBAPKCEASA-N	249.100	-0.172	50	10	BBGE	
O=C(NCc1ncccc1F)[C@@H]1C[C@H]1B(O)O	2247887237	LZCCESCPWBOCAK-RNFRBKRXSA-N	238.027	-0.300	50	10	BBGE	
CC#CCCNC(=O)c1cc(C)c(B(O)O)o1	2247891806	OAPNSOCQIQXTNS-UHFFFAOYSA-N	235.048	-0.589	50	10	BBGE	
COCCC1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898158	AUFKYUCLJLZTOT-QLEHZGMVSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)C1(NC(=O)C2(B(O)O)CCC2)CCC1	2248578427	TTZWHTVCRABZTQ-UHFFFAOYSA-N	241.052	-0.493	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1cocc1B(O)O	2249412092	UXSWNCNRJNTWQT-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
CON(CC1CC1)c1ncc(B(O)O)c(C)n1	2251001289	KTGWFNITBABILA-UHFFFAOYSA-N	237.068	-0.757	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1C=CCCC1	2255495869	GIIJVJRDWNJYBH-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(F)cc1B(O)O	2255503492	LHUVGFIUFIARCT-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255522534	LCUPJZWVEWGADP-GHMZBOCLSA-N	248.091	-0.464	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255589474	QUEAQDWBKOXGEM-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
N#C[C@H]1CCC[C@@H]1NC(=O)c1ccoc1B(O)O	2255679181	KTAVLIYIADTQFK-APPZFPTMSA-N	248.047	-0.619	50	10	BBGE	
C=C=CCCNC(=O)c1c(F)cccc1B(O)O	2255720641	PLVRRPWSRYRESL-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1ncccn1	2255721367	XVWQXVBWRYSENR-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cc1cc(C#N)c[nH]c1=NC(=O)[C@@H]1C[C@H]1B(O)O	2255772195	BKGIUNBKBBYNAI-RKDXNWHRSA-N	245.047	-0.515	50	10	BBGE	
C#CC(C)(C)NC(=O)Nc1ccc(B(O)O)cc1	2255889678	HEJUXSQMUPDSOL-UHFFFAOYSA-N	246.075	-0.100	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2cc(B(O)O)co2)C1	2258126327	UYHHKKKOSANXRA-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]2C[C@@H]2CO1	2297104044	RPKHZZFZDNACRI-XLPZGREQSA-N	200.238	-0.976	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)C1(B(O)O)CC1	2298367979	GGWQQSMQPVLEEO-MAUMQABQSA-N	238.096	-0.765	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@H]2C[C@H]1CO2	2300367186	BRTAZVVTKXIQQH-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
O=C(c1occc1B(O)O)N(CCF)CCF	2301660319	BVUVCPXKQGIZRJ-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
CN[C@H]1CCCN(C(=O)C2(B(O)O)CC2)CC1	2301837923	UFMFUXMVYOURBE-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1CN2C	2302053833	XRGHAEMKZLBOAR-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCCNC(=O)C1	2302060762	PYGAKWJHRLQFJG-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
N#CC1(O)CCN(C2(C(=O)O)CC(N)C2)CC1	2304554032	FYYBEVIXFJXQHO-UHFFFAOYSA-N	239.275	-0.719	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cc2C#N)CCOC1	2317151294	OXPNNQVNQALVEB-GFCCVEGCSA-N	246.075	-0.171	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349742	IGUGCNFUTBAGAI-PRHODGIISA-N	249.075	-0.374	50	10	BBGE	
CCC#CC(=O)N1CCc2ccc(B(O)O)cc21	2319238899	ACPJWSQCLDOPRG-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1O[C@H]2CC[C@H]1C2	2327545981	UGUWTVKXMCEYFU-LSJOCFKGSA-N	249.075	-0.904	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](CNC)C1	82471265	NRJXFNHCLWHTPD-NXEZZACHSA-N	228.340	-0.314	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CCC(=O)N(C)C1=O	84406429	WHRZWWCXHIXOHU-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)no1	85222744	ZFWAIYBHTDCEIG-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
CNCCCN(C)CC(C)(C)C(=O)NN	87472894	IKPTZVQBYYNOBQ-UHFFFAOYSA-N	216.329	-0.456	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	110589896	YTPZQIMPHOEMSZ-BDAKNGLRSA-N	242.323	-0.659	50	10	BBGE	
CCc1nccn1C[C@@H]1CC[C@H](C(=O)NN)O1	110602858	DQTHMTCOCFEXLF-DTWKUNHWSA-N	238.291	-0.017	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C(=O)O)CC1	132727653	ZFPCCHIKRZWCGN-SSDOTTSWSA-N	206.673	-0.074	50	10	BBGE	
CC(=O)[C@H](O)[C@]1(C)NC(C)=C(C#N)C1=O	136673798	FZIDXOKSBPDUTE-WPRPVWTQSA-N	208.217	-0.335	50	10	BBGE	
O=C(O)C[C@H](CNC(=O)CCCl)C(=O)O	170310689	CBPBCBWKOUQRSW-RXMQYKEDSA-N	237.639	-0.093	50	10	BBGE	
COc1c(B(O)O)cc(F)c(F)c1F	219431776	ATGJJPGCWKKPPB-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
CNCCCN(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	229020847	VYNDFWQVNIRTRC-UWVGGRQHSA-N	244.339	-0.935	50	10	BBGE	
CN(C)CCOc1cc(B(O)O)ccc1F	229339466	CWOPMZSBKCJAGD-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
CO[C@@H]1CCCN(Cc2ccc(B(O)O)cc2)C1	230335586	RVJLJRQAGTZWKN-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C[C@@H]1C	235633623	LAGGDZHABKMHEV-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
C[C@H]1CN(CC(=O)NNc2ccccn2)C[C@@H]1N	235647868	VHZOELUESSLSKS-UWVGGRQHSA-N	249.318	-0.196	50	10	BBGE	
COC(=O)NN(CC(=O)O)C(=O)OC	238314768	PTQYWCGMTXOWGD-UHFFFAOYSA-N	206.154	-0.590	50	10	BBGE	
OB(O)c1ccc([C@@H](O)C(F)(F)F)cc1	238625048	YMQMSXNCPYRQBR-SSDOTTSWSA-N	219.955	-0.038	50	10	BBGE	
OB(O)c1cncc(-c2nccs2)c1	238657513	JWXKVCHBYUNPNE-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC[C@H]1O	253206960	XLTDMPZHCZJXQA-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCOCCO	301047399	PMOWQJPSLRWNLQ-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
O=CNNC(=S)NC[C@H]1CCCO1	306442662	YMPLHNINBZOMLX-ZCFIWIBFSA-N	203.267	-0.710	50	10	BBGE	
NCC[C@@H](O)CSS(=O)(=O)O	307875783	NRPLJORXWFHVOZ-SCSAIBSYSA-N	201.269	-0.768	50	10	BBGE	
C[C@@H](O)CN(CCO)CCCCCC(=O)NN	310096085	LMUIHQLFLWOTGW-SNVBAGLBSA-N	247.339	-0.788	50	10	BBGE	
COc1cc(C=O)c(B(O)O)c(OC)c1OC	310212307	KPTKLIIFACPAKE-UHFFFAOYSA-N	240.020	-0.795	50	10	BBGE	
O=CNNC(=O)c1csc(=NC2CC2)[nH]1	379975090	CXIPBVFLOQNKBZ-UHFFFAOYSA-N	226.261	-0.470	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N(C)C)C1	382324160	CDKLXOVVPWNLJF-QMMMGPOBSA-N	200.286	-0.999	50	10	BBGE	
COC(=O)c1cc(B(O)O)cnc1C(F)(F)F	382638490	JOIZHOUZLDYUMW-UHFFFAOYSA-N	248.953	-0.433	50	10	BBGE	
Cc1ncsc1C(=O)NN[C@@H]1CNC[C@H]1O	393169220	BOZDZVXVPCOOSR-RNFRBKRXSA-N	242.304	-0.981	50	10	BBGE	
C[C@@H](O)CN(CCO)[C@H](C(=O)NN)C(C)(C)C	395690000	WXJDAFKGKDKBDQ-RKDXNWHRSA-N	247.339	-0.934	50	10	BBGE	
CCC(=O)c1ccc(C#N)cc1B(O)O	396092367	HDIYZHQPRQPYRE-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
CCOc1ccc(CCC(=O)O)cc1B(O)O	396111001	QJNIVUXQRYADLK-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
CCN([C@H]1CCCOC1)[C@H](COC)C(=O)NN	402693460	MJCHFHPIRSBMCO-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCC[S@](=O)NCc1sccc1B(O)O	404854628	QTIPHNJZGSZGLF-HNNXBMFYSA-N	247.150	-0.409	50	10	BBGE	
CC(=O)N(C)Cc1csc(B(O)O)c1	405017629	CHOLKFKASKCQGN-UHFFFAOYSA-N	213.067	-0.594	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@]12COC[C@@H]1C2	689155837	MNEOXYMYHPAYCF-QPUJVOFHSA-N	247.059	-0.659	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC2(F)F)c1	694530933	IZZBLMBXZYJPRG-RXMQYKEDSA-N	201.969	-0.782	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCNC1=O	696372838	AIDKXGCMDLXNKZ-UHFFFAOYSA-N	235.247	-0.790	50	10	BBGE	
O=[S@@](NCB(O)O)C1CCCCC1	706451799	RCYJNRCSWFVTQO-CYBMUJFWSA-N	205.088	-0.416	50	10	BBGE	
CN(Cc1nnnn1C)C[C@H](O)CCl	707665199	JXZRYBQJNSLXGG-ZCFIWIBFSA-N	219.676	-0.758	50	10	BBGE	
CN(C)[C@H](C(=O)NN)[C@@H]1CCCOC1	708188070	CUSNKTNAZTUNRN-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN2CCC1CC2	722806910	RYQQNVSVKOOFEF-LLVKDONJSA-N	240.351	-0.219	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NCCCSC#N	908031585	CDNLBXBWYKPHPH-SSDOTTSWSA-N	232.305	-0.161	50	10	BBGE	
CNC(=O)NNC(=O)CCCCC(=O)OC	1116681831	YPVQPRSWNULGJJ-UHFFFAOYSA-N	231.252	-0.320	50	10	BBGE	
C#Cc1cncc(C(=O)NNC(=O)N(C)C)c1	1136448613	KPAXKGFXTDSWGP-UHFFFAOYSA-N	232.243	-0.021	50	10	BBGE	
CC(=O)NNC(=O)c1ccnc2ccnn12	1463827434	HGMGTMJLKMKSIE-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCCCO	1625362156	HIVUENRCWHNYQH-UHFFFAOYSA-N	218.253	-0.933	50	10	BBGE	
Cc1cc(CCC(=O)NN(C)C(N)=O)no1	1630878111	NQMNOWMDPVDTMG-UHFFFAOYSA-N	226.236	-0.043	50	10	BBGE	
C[C@](N)(CO)CNC(=O)C1CC(Cl)C1	1876124708	DWYCZDGCGJZYTJ-QXUHLLMWSA-N	220.700	-0.170	50	10	BBGE	
C[C@@H]1C[C@H](O[C@H](C)C(=O)NN)CCO1	1878005165	DNZBDCMYUASAGZ-BWZBUEFSSA-N	202.254	-0.051	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C[C@@H](Br)C1	1881354103	STNJGNSBJCNYKG-SYDPRGILSA-N	235.874	-0.712	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)[C@H]1C[C@H]1Br	1883537892	NHCAKXQYCFWFCV-JKUQZMGJSA-N	247.092	-0.144	50	10	BBGE	
COCC[S@@](=O)CCNC(=O)CCl	1884266910	ITXSZUDGCUCOSI-ZDUSSCGKSA-N	227.713	-0.264	50	10	BBGE	
C[C@H](COCC(=O)NN)N1CCCC1	1886954720	HFQWNDHNLQVMLY-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
Cn1cc([C@@H](NC(=O)F)C(=O)O)nn1	1887186471	NTUUXIHYNJUNAD-SCSAIBSYSA-N	202.145	-0.380	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1CC(=O)NN	1887202034	PMAXFXDQVDFSEI-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](F)C1=O	1889042923	QFLURIZBAHCFDB-PHDIDXHHSA-N	203.217	-0.675	50	10	BBGE	
CC(C)OCC(=O)NCC=CB(O)O	1892919005	FINBLPRIDBLYCU-UHFFFAOYSA-N	201.031	-0.904	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H]2Cl)CNC1	1893470490	UCQQEGSFZAIVQE-BQBZGAKWSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)S(=O)(=O)C1CC1	1893854303	KCTBTABICXGAEU-ZCFIWIBFSA-N	235.309	-0.821	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C[C@H]1O	1898609725	XCKUVPPVOYDWML-ZYUZMQFOSA-N	227.308	-0.685	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1CCCC(=O)NN	1899736468	USBNCKWKFZBRFS-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
CN(NC(=O)CCC1(C)CNC1)S(C)(=O)=O	1901376708	DZLFJDDWNXXAOX-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CSCCNC(=O)N1CC[C@@](C)(B(O)O)C1	1902542421	YSCWHFMXRAWEFW-SECBINFHSA-N	246.141	-0.002	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@]2(CO)C1	1905775262	RQWLLAXCUJNBAE-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@@H]1C[C@H]2CO	1907251368	GANRABDRSYCRMX-AXFHLTTASA-N	241.335	-0.008	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1CF	1909485208	PKLSVFVAJSLXDU-GMSGAONNSA-N	237.039	-0.090	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@]2(CO)C[C@@]2(CO)C1	1928557759	YIUDQLAPAJGWSX-JEZHCXPESA-N	233.695	-0.183	50	10	BBGE	
OC[C@@H](O)[C@H]1COCCN1CCCl	1928573462	JONUKDCOXXHDKD-HTQZYQBOSA-N	209.673	-0.721	50	10	BBGE	
O=C(CBr)N[C@H]1COC[C@H]1CO	1928736154	RWMUQLYBFDNLIK-RITPCOANSA-N	238.081	-0.495	50	10	BBGE	
Cn1cnc([C@H]2C(=O)NC(=O)[C@H]2Cl)n1	1929101935	MFPXNAGFKILXEB-IMJSIDKUSA-N	214.612	-0.838	50	10	BBGE	
CC(C)(CN1CC[C@@H]1CO)C(=O)NN	1929742428	XBZNCSXMJWZFHE-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H]1CN(C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936089905	XDPOTCWQCNTJQN-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@@H]2C(=O)NN)C(=O)O1	1936095674	ZRJFCICOBFWDDG-RQJHMYQMSA-N	227.264	-0.157	50	10	BBGE	
CC(C)(CN1CC2(CC(O)C2)C1)C(=O)NN	1937044639	YSGYGFYXSJRDGA-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@H]1F	1937153032	IEHZSIFERFZBOV-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
C[S@](=O)N1CCc2cccc(B(O)O)c2C1	1937506409	QPVHHSDLTFOTPH-INIZCTEOSA-N	239.105	-0.982	50	10	BBGE	
O=C(CCl)NC(=O)NCC(=O)NC1CCC1	1939076563	AJJHNVACZXQSBM-UHFFFAOYSA-N	247.682	-0.280	50	10	BBGE	
Cn1ncc(C(=O)NC[C@@H]2COC[C@H]2Cl)n1	1939172485	OKLUSEMBENTXKN-RNFRBKRXSA-N	244.682	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](C(=O)N(C)C)C1	1940305507	YEZXKBUNLYHJDQ-BDAKNGLRSA-N	242.323	-0.835	50	10	BBGE	
COCCN(CCC#N)C[C@H]1C[C@H]1C(=O)NN	1941087074	LMZPWCXVWBVICM-NXEZZACHSA-N	240.307	-0.526	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCOCC(=O)NN)[C@@H](C)O1	1941772380	IMDVYMJHVHCPGA-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CC1(F)F	1942458767	QYPLMSRWRAZUDZ-LURJTMIESA-N	241.002	-0.040	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CC2)C[C@@H]1CO	1949698154	XQBOKBYKDXTALC-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cn(CC2CC2)nn1	1953022079	RVTMYAXNEYINFL-IUCAKERBSA-N	207.237	-0.428	50	10	BBGE	
CNC(=O)CN(C)CCOCCCl	1954823039	ZCMVRICNVPNUSA-UHFFFAOYSA-N	208.689	-0.080	50	10	BBGE	
COC[C@](O)(CO)CNC(=O)CCCCl	1958191041	NLALYSDTWVJVLM-SECBINFHSA-N	239.699	-0.509	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@H](N2CC(O)C2)C1	1958217448	JAOKDWJUPUTYPW-BDAKNGLRSA-N	229.711	-0.132	50	10	BBGE	
CCN(C)C1CN([C@H](C)CC(=O)NN)C1	1961179776	AOKPWWKZKCOFQM-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
CC1(C)C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CO1	1972414461	QOZVVGMQTDRXEU-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
O=C(CC1CC1)Nc1ccc(B(O)O)cn1	1976029888	MARVNVIAVRSUDP-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CCN(C)C1CN(CC(F)(F)C(=O)NN)C1	1980602451	ZVJDJABYXBDDNB-UHFFFAOYSA-N	236.266	-0.753	50	10	BBGE	
CC1(C)[C@H](O)[C@@H]2CCN(CCC(=O)NN)[C@H]21	1984033358	XWNWHVWIJWROGZ-SZEHBUNVSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@@H]2CC[C@H](C1)O2	1985270209	NTKUPIZFHPQEIR-IEESLHIDSA-N	227.264	-0.950	50	10	BBGE	
CO[C@H]1CN([C@H](C)C(=O)NN)CC(F)(F)C1	1986741746	SBGDYVLLKQNYFB-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2	1988837082	LAGASTVGUUCOPG-QMGXLNLGSA-N	231.271	-0.700	50	10	BBGE	
O=C(O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[C@H]2Cl)C1	1991687683	WAJXNXCFEAYZFH-ULAWRXDQSA-N	247.678	-0.092	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1(F)CC1	1994974094	SDGMGZWROYSEJX-UHFFFAOYSA-N	224.000	-0.798	50	10	BBGE	
Cc1nn(C[C@]2(F)C[C@@H]2C)c(C)c1B(O)O	1995033277	DULFBAJEBLUQON-QUBYGPBYSA-N	226.060	-0.072	50	10	BBGE	
CC(C)OCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2001338049	KCNFSWIBXBHNJX-MNOVXSKESA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2CC[C@@H](O)C[C@H]21	2001968018	UHTQSJOWTFBGON-IWSPIJDZSA-N	241.291	-0.872	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)OCC1(C)C	2002291744	XLLBLWRXXYOUCV-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
Cn1cnc2c1CCN(CCCC(=O)NN)C2	2003937701	HKXXZDBVSBZLTO-UHFFFAOYSA-N	237.307	-0.452	50	10	BBGE	
C[C@H](CN1CCc2ncn(C)c2C1)C(=O)NN	2004039686	ILFALCWETZXUIM-MRVPVSSYSA-N	237.307	-0.596	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CO[C@H](C)C2)n1	2004928746	GBMIORHKFUFWLK-HTRCEHHLSA-N	238.052	-0.979	50	10	BBGE	
COC[C@@H]1CCCN1c1ccncc1B(O)O	2004931118	ZPWCHTBXCVYORU-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1cc(N2CCC23COC3)ncc1B(O)O	2005014870	RWLIRTRMODQFGY-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@@H](C2)[C@H]1CO	2008976077	WJKLNIZPQXIEST-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCN(C)C(=O)C1)C(=O)NN	2014834606	RMTBGOAOGOBEIF-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CCCCN(C1COC1)[C@H](COC)C(=O)NN	2020600898	BLSONYUOZJAFAY-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
Cc1ccc(COc2cncc(B(O)O)c2)nn1	2029100896	XDQFXBFKAYIYQG-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
Cc1ncc(OCCn2ccnc2)cc1B(O)O	2031602509	BOTDQDJKKPKUSV-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CCN(CC1CN(C)C1)c1ncccc1B(O)O	2052491684	MSBBHFUKMBXNFD-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H]2COC[C@H]21	2052493106	BBGHICXFMRAEIR-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccn2cnnc12	2056957771	HIPRGMMGGQHOHO-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
CCOc1ccc(C#N)c(B(O)O)c1OC	2060198612	IKXRKMPVZSXXDC-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
COc1cc(C(=O)NCC#CB(O)O)cc(C)n1	2077433457	KPCFFUALICZBRY-UHFFFAOYSA-N	248.047	-0.856	50	10	BBGE	
Cc1cc(NC(=O)c2ncc[nH]2)ccc1B(O)O	2077800327	BOHDNFVVLCUUSO-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1cnccn1)c1ccccc1B(O)O	2079008723	BPWREGIHDKUNNA-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](C1)O2	2211839038	PCNCGCSPRKPOKT-IMSYWVGJSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H](O)[C@H]1CC2)C(=O)NN	2212096752	DSRIVTHPMHCTOC-JLIMGVALSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1Nc1ncc(B(O)O)cn1	2212604423	WEPGYTIYGMNQBG-WPRPVWTQSA-N	221.069	-0.243	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1cc(B(O)O)ccn1	2212607506	KTICAPMJBCAOTI-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNc1ncc(B(O)O)cn1	2212612967	QKRFYVKTDJXAAC-MUWHJKNJSA-N	225.032	-0.684	50	10	BBGE	
OB(O)c1ccc(NCc2cnns2)nc1	2212614352	CJKLZRPEFXBMSH-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CN1CC[C@H](COc2ccncc2B(O)O)C1	2215651439	PDKUDETTWOPCBA-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215773749	BYBNXZGMFCWZFJ-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(O[C@H](C)C2(N)CC2)cc1B(O)O	2217181023	NCCQYTOAYKKEHU-MRVPVSSYSA-N	236.080	-0.672	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cnco1	2217195797	NQZJZRDXUAMMQD-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccsc2)[nH]c1	2217197467	MVRVLWNBDLEUIS-UHFFFAOYSA-N	248.116	-0.101	50	10	BBGE	
C[C@@H]1[C@H](Nc2ccc(B(O)O)cn2)CCN1C	2217203362	TZIQTOAJUYWXBC-PSASIEDQSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C(F)(F)C23CC3)c1	2217205151	UMYPSRLLNKZYBQ-MRVPVSSYSA-N	240.018	-0.029	50	10	BBGE	
OB(O)c1cccc(CN2Cc3conc3C2)c1	2220059837	SRSKDNKCQUWBAS-UHFFFAOYSA-N	244.059	-0.130	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220062049	FNRDDYDLGNUZMK-KGYLQXTDSA-N	247.103	-0.821	50	10	BBGE	
OB(O)c1ccc(OC2C[C@@H]3CC[C@H](C2)N3)nc1	2223623938	BSOZVGWFEVGLEU-ZACCUICWSA-N	248.091	-0.577	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCCNC1	2223638711	MNWXRONKFRUCDL-JTQLQIEISA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)[C@@H]1C1CC1	2223665400	FYPQKLNHEDURFB-MNOVXSKESA-N	248.091	-0.889	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)c1cc(B(O)O)ccn1	2223667714	RLMBMLMUAKGWIZ-GXSJLCMTSA-N	249.123	-0.804	50	10	BBGE	
NCCCN(CCO)C(=O)[C@@H]1C[C@H]1Cl	2241422265	ITVZTBOJGCJGTF-HTQZYQBOSA-N	220.700	-0.217	50	10	BBGE	
NCC1(C(=O)N[C@H]2C[C@H](Cl)C2)COC1	2241656536	BRQIZANRIUOBMK-LJGSYFOKSA-N	218.684	-0.152	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccc(B(O)O)s1	2243349940	SSUVEPOZHVRCBJ-UHFFFAOYSA-N	243.093	-0.112	50	10	BBGE	
O=C(NCc1cccnn1)C1(B(O)O)CC1	2243364131	RKTNUAUQUXADQK-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243391328	JIALOPORCGARAC-LPEHRKFASA-N	221.065	-0.281	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H]1B(O)O	2243396895	SHRXIMGKRVQZLI-JGVFFNPUSA-N	229.085	-0.531	50	10	BBGE	
C[C@H]1CCN(C(=O)c2sccc2B(O)O)C1	2243407079	LCJVSRXTPDFTMM-ZETCQYMHSA-N	239.105	-0.090	50	10	BBGE	
CO[C@H]1C[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2243408397	MLGYSUVADKAYIG-SFYZADRCSA-N	227.069	-0.513	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2243408427	NANNGJSORXWJLJ-SSDOTTSWSA-N	222.053	-0.991	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CC[C@H]1N	2243409399	HFQXIKDTOMPSSC-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
CC=CCCNC(=O)c1csnc1B(O)O	2243412830	UMVOSRGECBZPRE-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
C[C@@H](CN(C)[C@@H](C)CCN(C)C)C(=O)NN	2245099007	YKDASQTYEHUIML-UWVGGRQHSA-N	230.356	-0.116	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1nscc1B(O)O	2245941917	RCADLPHCHOGUJI-UHFFFAOYSA-N	244.081	-0.547	50	10	BBGE	
NNC(=O)N1Cc2ccccc2C[C@@H]1CO	2246299393	FTQGBQSLGLGTHQ-SNVBAGLBSA-N	221.260	-0.011	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNC(=O)C1(B(O)O)CCC1	2247721457	DNXYNQJMVMRPQI-BDAKNGLRSA-N	243.112	-0.093	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1ccoc1B(O)O	2247738241	OSZQJZUKHMUGEO-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2247739795	BMTUYBQNHBOPSI-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
C[C@H]1OCC[C@H]1CCN(C)C(=O)C#CB(O)O	2247744174	OSFOKBMKSQXQNA-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
CN(CCN(C)C1CC1)C(=O)C1(B(O)O)CC1	2247750337	HWVQGNWDOUPZLY-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
C=C[C@H](C)NC(=O)c1c(F)cccc1B(O)O	2247751801	CGIZHAWSWHFVSB-ZETCQYMHSA-N	237.039	-0.190	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccc(B(O)O)cc1F	2247759596	TXINMMMBZGDLBY-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
CCN(C(=O)c1ncccc1B(O)O)C(C)C	2247769557	JUPVJUHUJOSKKF-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1B(O)O	2247797136	GLSJMQRVMAFHPA-SQXHDICFSA-N	239.080	-0.515	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247799221	AYUOOLSHHJPLGP-SEZDTBSWSA-N	240.112	-0.517	50	10	BBGE	
CN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806011	CPXPRJCGBDWXJP-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
CC(C)[C@H]1C[C@H]1NC(=O)c1occc1B(O)O	2247873507	CITFUTPJICEGLA-VXNVDRBHSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H]1COCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247874857	QFIFURMBMYLUPH-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2247879036	PIAXUOATZHRFSR-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C2CC(B(O)O)C2)O1	2247906263	XHJHGMACSOHZJF-AMDVSUOASA-N	241.096	-0.077	50	10	BBGE	
CON(CCC(=O)O)C(=O)C1CC(B(O)O)C1	2248574324	AVTVYWSHFBGEHI-UHFFFAOYSA-N	245.040	-0.896	50	10	BBGE	
C[C@H](F)[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248578114	QFHJGHFVJJWJQO-ZTYPAOSTSA-N	247.031	-0.833	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)C[C@H]1F	2249410479	NKTRAIPNMAISGS-HZGVNTEJSA-N	241.027	-0.611	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2249433997	UACZSMJNRCSQCN-WRWORJQWSA-N	235.048	-0.559	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H](C1)[C@]2(C)O)C(=O)NN	2249612860	BWRVXYRELRLIFL-GDGBQDQQSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1coc(B(O)O)c1	2255443739	DCUHSTYKQWCIEG-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
O=C(C#CB(O)O)NCc1cccc([N+](=O)[O-])c1	2255468774	GPTPJUCYYAAGMH-UHFFFAOYSA-N	248.003	-0.774	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H](C)CC#N)c(B(O)O)c1	2255513005	JKKHZBSVZWFNCL-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H](C)NC(=O)c1ncccc1B(O)O	2255518082	ZLEXNZMKZBGBSM-HLTSFMKQSA-N	248.091	-0.464	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255518925	QKJJBEDDJCDSJS-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
C=C=CCCNC(=O)c1nn(CC)cc1B(O)O	2255573280	JWOQSMQMHJTITO-UHFFFAOYSA-N	249.079	-0.956	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nc1cnoc1	2255719582	LHPJCAXZPJFQCS-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@H]1C	2255746977	CEBUPPHAOSHJOD-APPZFPTMSA-N	249.075	-0.487	50	10	BBGE	
N#Cc1cnc(NC(=O)C2CC(B(O)O)C2)cn1	2255804986	KTNYTQZAXIMZMC-UHFFFAOYSA-N	246.035	-0.460	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258123342	NOACGCKCPDUKQX-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1cccnn1	2258127258	ZBVGTHVMLDKKRF-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1cocc1B(O)O	2258131142	QNCYKLLESSRVHV-GMSGAONNSA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(O)cc1C(=O)NCCC#CB(O)O	2258957669	BBNORVRLQYLTEV-UHFFFAOYSA-N	247.059	-0.164	50	10	BBGE	
C=CC1CN(C(=O)c2cc(C)ccc2B(O)O)C1	2261377536	JKFMRNCBSDSENO-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165785	YGKXTGLHINSSMN-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369267	OYOSERVIAWFKOG-DOLQZWNJSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@H]21	2298369361	RRCHJUOGMBCPTE-SGIHWFKDSA-N	239.080	-0.371	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@H]2O)[C@H]1C[C@H]1B(O)O	2298369383	SJMDQJHFLPVMBY-AZVNGCGHSA-N	239.080	-0.875	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2CCO[C@H]2C1	2298369620	ADAXXWYANJSKSC-JLIMGVALSA-N	239.080	-0.513	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2298370015	LIZJEAFDDKZJEU-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298462915	KMQMPBUNRNFCPI-PRJMDXOYSA-N	243.068	-0.439	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2298463422	BZHIAKNOUHCCLI-YWIQKCBGSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300371574	NHKOXMPWOVYUJL-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C)Oc1ccc(B(O)O)cc1C#N	2301343222	IMFKTLUBGZATCU-MRVPVSSYSA-N	235.048	-0.348	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	2302061582	TXQYRZWJMKFJDO-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
O=C([C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)N1CC[C@@H](B(O)O)C1	2303110945	FMDSYJBOBZIPII-MPVQUNCYSA-N	235.092	-0.036	50	10	BBGE	
CC(C)(CC(=O)N1CC[C@H](B(O)O)C1)C(=O)O	2303115337	SGPQUMNTZBFNFU-ZETCQYMHSA-N	243.068	-0.437	50	10	BBGE	
C#CCOCCOCCN1CC[C@@H](B(O)O)C1	2303153506	DOKOUJFTYXLOOV-LLVKDONJSA-N	241.096	-0.799	50	10	BBGE	
CC[C@](C)(CN1CCO[C@H](CO)C1)C(=O)NN	2303426759	RKMVAHWJMGNDSC-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303835477	XNQAVBUQEUDJIC-MUWHJKNJSA-N	240.043	-0.653	50	10	BBGE	
C[C@H](CN(C)C)N(C)c1ccncc1B(O)O	2306892460	RMYGNHUXKSXIEV-SECBINFHSA-N	237.112	-0.852	50	10	BBGE	
OC[C@H]1[C@@H]2C[C@H]1CN2Cc1cccc(B(O)O)c1	2312409409	YULCPOIVFWTZBC-UHTWSYAYSA-N	247.103	-0.821	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2OCCC[C@H]12	2312612329	QPTMLUYJECGMKJ-MIMYLULJSA-N	248.091	-0.259	50	10	BBGE	
C#CC#CC1CN(Cc2cccc(B(O)O)c2)C1	2315369219	GNIIPRJUJAPRSN-UHFFFAOYSA-N	239.083	-0.565	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317164421	ZJSZABMMIRCWGG-RYUDHWBXSA-N	246.075	-0.173	50	10	BBGE	
N[C@H]1C[C@@H](CNc2ccc(C=O)c(B(O)O)c2)C1	2317350181	OPTVCRBVPXRFKS-WAAGHKOSSA-N	248.091	-0.672	50	10	BBGE	
COCCCNC(=O)C(C#N)=CNC[C@@H](C)O	2318467421	DNCPMLONABKABC-SECBINFHSA-N	241.291	-0.483	50	10	BBGE	
C[C@@H]1C[C@H]1CCCCN=c1ncc(B(O)O)c[nH]1	2318769339	PMCHRMYFADEVNS-NXEZZACHSA-N	249.123	-0.184	50	10	BBGE	
CCN(CC(F)(F)F)C(=O)C(=O)NN	42796535	VOPCNPUZWVTHTI-UHFFFAOYSA-N	213.159	-0.613	50	10	BBGE	
NNC(=O)CCn1c(=O)oc2ccccc21	70152325	OSXYGHMNQSFLBA-UHFFFAOYSA-N	221.216	-0.026	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCCC2)O1	82466039	RWFQMLZCLHCJBS-BDAKNGLRSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)c1cc(CN2CCCC2=O)on1	82468367	OFPKVYCYMQFIEA-UHFFFAOYSA-N	224.220	-0.600	50	10	BBGE	
NNC(=O)CCn1cccc([N+](=O)[O-])c1=O	82471496	OBAXWBDZZGIZHQ-UHFFFAOYSA-N	226.192	-0.864	50	10	BBGE	
CCCN(CCCCC(=O)NN)CC(=O)NC	110592557	MBWSDKNFMAHUOZ-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)C1	166152198	HKZKIVZQITYEMW-DTWKUNHWSA-N	215.297	-0.685	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H](C)N)B(O)O	213697909	MQFXWSJWILEPHS-BQBZGAKWSA-N	202.063	-0.979	50	10	BBGE	
CC(=O)NCC1CCN([C@@H](C)C(=O)NN)CC1	226315449	AZWHXQOTTFJCQC-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CN1CC[C@@H](NC(=O)NC(=O)CCl)C1=O	230276580	HFZRSNYYJDSGDC-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)C[C@@H]1O	230357230	JSKXGHYNXDNPDE-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@H]1O	300021401	UMGQFWOVUDVBKD-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H]2CC[C@H](Br)C[C@@H]2N1	307290365	BLOCXHZSHVLLGS-GCJQMDKQSA-N	248.124	-0.120	50	10	BBGE	
COC1(CNC(=O)C(=O)NN)CCCC1	379966831	ZGJNSICPJQGJKF-UHFFFAOYSA-N	215.253	-0.948	50	10	BBGE	
CCSCCNNC(=O)[C@@H]1COCCN1	381487771	KFRLSCCHKHPKRJ-QMMMGPOBSA-N	233.337	-0.651	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(CC)C1	384184479	XEMPSPGWJULLDW-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
Cc1cc(OCCn2ccnc2)ccc1B(O)O	386267648	XZYMKJMGSFLECK-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CCOc1ccc(CCC(=O)O)c(B(O)O)c1	396096705	HOGNDRIFISSJGU-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
CC[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396489275	LZRKVILHLYKXKH-VHSXEESVSA-N	209.054	-0.863	50	10	BBGE	
OB(O)c1ccccc1OCCc1cnccn1	402577572	ATXYPLQZRHKKKX-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CCCCO1	404936933	ISLSYLOMBUKACW-NSHDSACASA-N	249.075	-0.126	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CCCO1	405001661	NFELSWIBVPNYCT-JTQLQIEISA-N	235.048	-0.516	50	10	BBGE	
Cc1ccc(N[S@](C)=O)c(B(O)O)c1	405072035	CKIXCSOUMGZUSO-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
CCNC(=O)Nc1ccc(F)cc1B(O)O	405086666	PWFYGZCAZDBRGW-UHFFFAOYSA-N	226.016	-0.353	50	10	BBGE	
O=C(CCl)N1CC[C@]2(CNCCO2)C1	642885321	DHJSBTWABAUFLR-VIFPVBQESA-N	218.684	-0.184	50	10	BBGE	
COCC(=O)Nc1cccc(B(O)O)c1F	690108180	XPQGCHSUAZSXBP-UHFFFAOYSA-N	227.000	-0.910	50	10	BBGE	
Cn1cc(C(=O)N2CCC(O)(C#N)CC2)nn1	692108394	SMGDXNFNJJPXHO-UHFFFAOYSA-N	235.247	-0.694	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)C2CC2)CC1	692120508	JNUZUBYZAFKYBW-UHFFFAOYSA-N	230.289	-0.171	50	10	BBGE	
OB(O)c1cnn(CCC2CCOCC2)c1	694515054	PDHDLRNPYSJFMI-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCO[C@@H](C#N)C1	695104508	SAPXPXYNZZPEGH-UWVGGRQHSA-N	240.307	-0.385	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCCl	703193385	QXLTWZVTMWWPNP-UHNVWZDZSA-N	222.628	-0.760	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(n2ccnc2)C1	707384764	LPEVIRNDZNCGBH-ZETCQYMHSA-N	209.253	-0.882	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1CSC1	718293929	HBGJOLOZBMWSKI-ZCFIWIBFSA-N	203.311	-0.340	50	10	BBGE	
C[C@]1(CO)CCCCN1CCCC(=O)NN	723023216	OAZJQEQZVAVOTB-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(=O)NN)C[C@@H](C)O1	829144880	WMANNLHLBFQVMW-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)N2CC(F)C2)CCCO1	841587576	RELZNKGUMALLSE-SNVBAGLBSA-N	245.254	-0.050	50	10	BBGE	
COC/C(C)=C\C(=O)NNC(=O)c1cnn[nH]1	845442931	LIPDKHFHDCODCU-UTCJRWHESA-N	239.235	-0.842	50	10	BBGE	
CCn1ccnc1C=NNC(=O)c1cn(C)nn1	853386171	WNNYDOQDUIOTLG-UHFFFAOYSA-N	247.262	-0.205	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN=c1cc[nH]cc1	1556154512	GSQWWBOMRXOMRM-UHFFFAOYSA-N	233.231	-0.002	50	10	BBGE	
CNC(=O)NNC(=O)COCc1cc(C)on1	1583197667	KSDOEZFEDLLCCC-UHFFFAOYSA-N	242.235	-0.540	50	10	BBGE	
CC(C)C[C@H](C(N)=O)C(=O)NN(C)C(N)=O	1596547195	RRFXCKGSUWGILM-ZCFIWIBFSA-N	230.268	-0.824	50	10	BBGE	
O=C(CO)NNC(=O)c1cncnc1C1CC1	1648685605	BTGIXXZUBYKBEX-UHFFFAOYSA-N	236.231	-0.893	50	10	BBGE	
N=c1nc([C@@H]2C[C@H]2Br)[nH]c(=N)[nH]1	1877413298	COBYPBQRDJMUHJ-PWNYCUMCSA-N	230.069	-0.052	50	10	BBGE	
NC[C@@H](O)C(=O)N1CCSSCC1	1881768813	OQVDBLUXRFSHOG-ZCFIWIBFSA-N	222.335	-0.470	50	10	BBGE	
CS[C@H]1C[C@H](CNC(=O)C(=O)NN)C1	1888345308	BJQUSSHOLWAOON-IZLXSQMJSA-N	217.294	-0.766	50	10	BBGE	
COCC(=O)N1CC[C@@](C)(B(O)O)C1	1891517326	NFYHFLNXRFMIII-MRVPVSSYSA-N	201.031	-0.902	50	10	BBGE	
COC[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(N)=O	1893447283	WZHCWSMEGFKFRX-SRQIZXRXSA-N	220.656	-0.770	50	10	BBGE	
N[C@]1(CNC(=O)[C@@H]2C[C@@H]2Cl)CCOC1	1893452984	JTGXTLHHEZDGJX-FJXKBIBVSA-N	218.684	-0.152	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)CCCC(=O)NN	1895545022	YNNNDOBMRTYFFY-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
COc1ccn(CCCC(=O)NN)c(=O)c1	1899442291	PTXBEJWPQIAAEN-UHFFFAOYSA-N	225.248	-0.373	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)C1COC1	1900501184	HUXHRLUPZSPJIK-WCBMZHEXSA-N	227.308	-0.277	50	10	BBGE	
CC(C)=C(CN1CC[S@](=O)C[C@@H]1C)B(O)O	1901614463	ZLORXAARAGBOHM-FVMDXXJSSA-N	245.153	-0.212	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@H](O)[C@H]1C	1901753769	ZLHIWRPZODMHSQ-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CC[C@@](C)(CSc1nncn1N)C(=O)NN	1902714788	YVQQYCDFZSAKGA-QMMMGPOBSA-N	244.324	-0.510	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)N[C@H](CB(O)O)C(=O)O)C[C@H]12	1905980597	PUMBMXBIMQAGJB-IBNKKVAHSA-N	241.052	-0.925	50	10	BBGE	
O=C1CN(C[C@H]2[C@H]3OCC[C@H]23)CC(=O)O1	1909461331	BSZPXHUCXAZNSR-XSSZXYGBSA-N	211.217	-0.593	50	10	BBGE	
COCCCn1nccc1C=CB(O)O	1911660355	ZKAXVYIVLIRCMH-UHFFFAOYSA-N	210.042	-0.055	50	10	BBGE	
N[C@H]1C[C@@H]1NS(=O)(=O)CBr	1923227845	POLALRBJFLWHLE-IMJSIDKUSA-N	229.099	-0.642	50	10	BBGE	
CC1(C)CCCO[C@H]1Cn1ccc(B(O)O)n1	1923786648	ZXKFMZWFYFLZGJ-VIFPVBQESA-N	238.096	-0.232	50	10	BBGE	
CON(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	1928676693	MNWPQGQRLWCGLD-BQBZGAKWSA-N	203.242	-0.983	50	10	BBGE	
O=C(CC[C@H]1CCOC1)NNCCO	1929834299	ZEFHHWFKYQHABS-QMMMGPOBSA-N	202.254	-0.584	50	10	BBGE	
Cc1cnc(C(=O)NNCCO)c(C)c1	1929837663	CLFYHKZEECJGPK-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
NC(=O)[C@H](NS(=O)(=O)CCl)C1CC1	1932386067	CCAANJCWBVLJKY-RXMQYKEDSA-N	226.685	-0.634	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1C[C@H]1C(F)(F)F	1935090956	YHLKZLWLLWQMAT-PWNYCUMCSA-N	211.143	-0.116	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)C2(CC2)C1	1935769909	AZZKZSAGCJBWFB-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)[C@H](C)COC	1935930756	JAFYMZMWEFNCIO-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(O)(C2CC2)C1	1935943081	ZXZAYNQOOVHDKZ-UHFFFAOYSA-N	235.234	-0.932	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@@]21C	1940009636	GZJVPWHHUWBLHA-NGZCFLSTSA-N	227.308	-0.134	50	10	BBGE	
CN(Cc1ccn(C)n1)CC(F)(F)C(=O)NN	1940891104	ACOKNHCYRMGDHL-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1C	1941083503	RLVYJYBFEUVBHL-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)COCCN1CCO[C@H]2CCC[C@H]21	1941783463	HHUIFPMXXWZYDH-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2CCOCC(=O)NN	1943004680	HFCVDHGNBITBHE-KWQFWETISA-N	241.291	-0.606	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnnn1C	1950439102	NCWJZEGGIOXAMG-VIFPVBQESA-N	240.311	-0.739	50	10	BBGE	
C#CC1(O)CN(C[C@H](O)CBr)C1	1953619137	ZUXWPERBXHVGOB-SSDOTTSWSA-N	234.093	-0.578	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955232547	FPFXOBYQLSQFKO-CSMHCCOUSA-N	219.668	-0.167	50	10	BBGE	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC(Cl)C1	1956900878	PKNZAUMNAOQLEY-ZCFIWIBFSA-N	237.708	-0.129	50	10	BBGE	
NC(=O)C1(NC(=O)NC(=O)CCCl)CC1	1958551367	FIDIAQUWPGJOMU-UHFFFAOYSA-N	233.655	-0.541	50	10	BBGE	
Cc1nc(CN(C)CCC(=O)NN)no1	1958699130	ICFWJEAXRIWTJV-UHFFFAOYSA-N	213.241	-0.810	50	10	BBGE	
CC12CC(C(=O)NNC(N)=S)(CCO1)C2	1960151699	ZORNWRADXXEEHE-UHFFFAOYSA-N	229.305	-0.190	50	10	BBGE	
C=CCSc1ncc(B(O)O)c(OC)n1	1961710541	RDVADYZUYORMMB-UHFFFAOYSA-N	226.066	-0.557	50	10	BBGE	
OB(O)c1csc(N2CCC[C@@H]2CF)n1	1961719128	YRMWBYGJPHFLEE-ZCFIWIBFSA-N	230.073	-0.239	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1962236853	UZXKAIZJLFFGKW-RCAZJZEASA-N	233.695	-0.281	50	10	BBGE	
ClCC#CCN=c1ccc2nnnn2[nH]1	1974756886	BLOJDTPYCJGUAS-UHFFFAOYSA-N	222.639	-0.405	50	10	BBGE	
NNC(=O)C(F)(F)CSc1ncncc1N	1975752009	JMZNJNYVQZIZLQ-UHFFFAOYSA-N	249.246	-0.224	50	10	BBGE	
COCCO[C@H]1CCN([C@H](C)C(=O)NN)C1	1976096814	MIOQNSRKAGZMAC-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C(F)(F)CN(C1CC1)C1COC1	1977189343	VJAABISTWLYQCY-UHFFFAOYSA-N	235.234	-0.525	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCO[C@H]2C[C@@H]21	1981143789	PAIPBTVXGVLKLC-CIUDSAMLSA-N	227.308	-0.136	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3(CC3)C2)n1	1981469286	PWPWSVYBGNEFGQ-UHFFFAOYSA-N	219.053	-0.935	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)C1=O	1984129134	ZLPNOKGONJRQQB-UHFFFAOYSA-N	236.222	-0.631	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1[C@H](C)O	1990041900	XWQMCHLZQYOCJA-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C[C@@H]3C[C@H]3Cl)C2)N1	1991437279	FBIWCDYWOXIIBW-NYNCVSEMSA-N	243.694	-0.102	50	10	BBGE	
C[C@H](CN(C)[C@@H]1COCC1(F)F)C(=O)NN	1991602588	JROHYYDDABDIOS-RNFRBKRXSA-N	237.250	-0.422	50	10	BBGE	
C=C(CN(C)Cc1cnn(C)c1C)B(O)O	1992146278	IZEQJWUHSDHMFS-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@@]2(CO)C1)C(=O)NN	1992489971	QICANLPMPREZDW-YWVKMMECSA-N	227.308	-0.683	50	10	BBGE	
C[C@]12C[C@](CN3CC(=O)OC(=O)C3)(CO1)C2	1993916575	CJAMPUYUAUFBDE-PHIMTYICSA-N	225.244	-0.059	50	10	BBGE	
CC[C@H]1CNCCCN1CC(=O)NNC(C)=O	1996963193	FSRHRAFQLYWSIB-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCC[C@H]2C1=O	2004109288	OXJLLCCBENIRKS-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
CCCN(CC(=O)NN)[C@H]1CCCCNC1=O	2004293531	UZWBCBMLTYNDQR-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CCN(C[C@@H](C)OC)c1ccc(B(O)O)cn1	2004917052	UCJKNESNHKWFJD-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@H]2C3)ncc1B(O)O	2004974687	ODBMLMFARPBMKZ-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)CC1(C(=O)NN)CC1	2007574286	PGDYMNWOLFVPFE-IVZWLZJFSA-N	239.319	-0.277	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1COC[C@@H]1OC	2008155039	FRZKHMDBPTYEPM-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2C2(O)CC2)CC1	2013925297	IHYRZFBIWGLXCD-SECBINFHSA-N	239.319	-0.254	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC23CC(F)(F)C3)n1	2015508675	IUWZQGYWNWNVJZ-SSDOTTSWSA-N	242.034	-0.002	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ncccc1B(O)O	2020032290	IHVNYSDSEJSYGF-MRVPVSSYSA-N	232.048	-0.641	50	10	BBGE	
Cc1cc(O)ccc1C(=O)NCC#CB(O)O	2021157974	UVXOMVIUNQBKDI-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
CN1CC(COc2cc(F)cc(B(O)O)c2)C1	2022091550	RZSCRNWDHNOMRC-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
Cc1nc(CN(C)c2ncc(B(O)O)cn2)co1	2052466198	HFAJZEZXELXJRN-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1cncnc1-n1cnc(C2CCC2)n1	2052598785	VVFNWUPXLRGOPU-UHFFFAOYSA-N	245.051	-0.995	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCCc1ccc(B(O)O)cc1	2058048829	IAQJWLGWZDUOLT-JOYOIKCWSA-N	247.103	-0.319	50	10	BBGE	
Cc1ccc(CN2C[C@H]3COC[C@H]32)cc1B(O)O	2066310960	VTNWQGCLUAFHHY-WCQYABFASA-N	247.103	-0.495	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2069485681	ZDGXGTOJNUCUQX-GJVVYLMISA-N	249.079	-0.695	50	10	BBGE	
O=C(CCl)N1C[C@H]2COC[C@@]2(CO)C1	2209563531	VAJURZNELRGMIN-CBAPKCEASA-N	219.668	-0.308	50	10	BBGE	
C[C@@H](N)CN(C)Cc1cccc(B(O)O)c1	2211133623	DFXONQQUAVHSQC-SECBINFHSA-N	222.097	-0.855	50	10	BBGE	
CN1CC[C@H](COC[C@H]2C[C@@H]2C(=O)NN)C1	2211766772	JVUPDXLOJPYVBF-AEJSXWLSSA-N	227.308	-0.419	50	10	BBGE	
OB(O)c1ccnc(NCc2cnns2)c1	2212601533	PELDJAFBEBQKBN-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CP(C)(=O)CNc1nccc(B(O)O)c1F	2212603476	GRHBPMIDOIBOQC-UHFFFAOYSA-N	245.987	-0.107	50	10	BBGE	
CC[C@@H](O)CNc1nccc(B(O)O)c1F	2212606428	UAIXXTUVNNQBKI-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)CC1(C)COC1	2215771732	JPXUQAGANIRIOZ-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
C[C@]1(CO)CCCN1C[C@H]1CC[C@@H]1C(=O)NN	2215776108	KXAOUOMRNHHTPH-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(COc2ncccc2B(O)O)C=CCN1	2217168403	UVFNANBIENXXKF-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
CCCOCCCNc1ncccc1B(O)O	2217176445	WLSMCACDTWQUDU-UHFFFAOYSA-N	238.096	-0.010	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2[C@H]3CCC[C@H]32)nc1	2217178158	SBZZLZYTWUUDMI-MYJAWHEDSA-N	233.080	-0.386	50	10	BBGE	
CN1CC[C@H](COc2cc(B(O)O)ccn2)C1	2217190023	BDQMGNHEVXRMLY-VIFPVBQESA-N	236.080	-0.908	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCN2C2CC2)c1	2223632136	GDKSZVORRKYTPN-LLVKDONJSA-N	247.107	-0.590	50	10	BBGE	
Cc1oncc1CCN=c1cc(B(O)O)cc[nH]1	2223635519	YDHZYZWWBYXTJL-UHFFFAOYSA-N	247.063	-0.866	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@H]1Oc1ccc(B(O)O)cn1	2223664522	WJMOJTDXYWOJSV-KOLCDFICSA-N	248.091	-0.590	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCS1	2241468715	SYAREWIHZNZDBA-ZETCQYMHSA-N	213.067	-0.986	50	10	BBGE	
C[C@](F)(CNC(=O)C#CB(O)O)C(F)(F)F	2243349859	RNTABDRGDJIMRM-LURJTMIESA-N	240.949	-0.592	50	10	BBGE	
C=CCN(CC(F)(F)F)C(=O)C#CB(O)O	2243356612	KQLSMZBDKSJZEI-UHFFFAOYSA-N	234.970	-0.421	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ccc(B(O)O)o1	2243362216	NUUIGBUQGRUCKW-ZETCQYMHSA-N	225.053	-0.265	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2243363873	NRWWFEGJKSUDIJ-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
O=C1N(C(=O)C2(B(O)O)CC2)CCC1(F)F	2243365995	VWSYHFVWSNCELY-UHFFFAOYSA-N	232.979	-0.612	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)n[nH]1	2243382033	KQLGPPVIBZPGOZ-OLQVQODUSA-N	224.029	-0.695	50	10	BBGE	
COCC[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382075	LHBLATFXWMSDBB-HLTSFMKQSA-N	229.085	-0.219	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)[C@H]1C[C@H]1B(O)O	2243395737	BIMWOZJVNBKXKP-HRDYMLBCSA-N	228.101	-0.661	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243397098	VMUNFUPRQPFGRJ-KZVJFYERSA-N	227.069	-0.515	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCCC1(F)F	2243404376	NDIQTAKGNCRBCT-SSDOTTSWSA-N	231.007	-0.304	50	10	BBGE	
CN(CC(F)F)C(=O)c1sccc1B(O)O	2243407867	BDKKURBUNIELNY-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccsc1B(O)O	2243407958	CZHUSEWHFUVZJP-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
COCCN(CCF)C(=O)[C@H]1C[C@@H]1B(O)O	2243414877	JQLVROVNTXDLMF-YUMQZZPRSA-N	233.048	-0.706	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](CC)CC#N)B(O)O	2243419934	JJENYDZHACGDHS-QMMMGPOBSA-N	246.097	-0.834	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2243758160	AXZFLWCYOUGSBP-NTSWFWBYSA-N	227.025	-0.933	50	10	BBGE	
C[C@H](CF)N(C)c1ncc(F)cc1B(O)O	2244150459	CJSQALCIZYMUPM-ZCFIWIBFSA-N	230.023	-0.305	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(CNC(=O)CO2)C1	2245327014	KRDCFGJWPOYOQN-SSDOTTSWSA-N	246.694	-0.411	50	10	BBGE	
CN(CC[C@H]1CCO1)CC(F)(F)C(=O)NN	2246210063	NHYJRXKCNFKVKK-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccoc2B(O)O)C[C@@H]1F	2247738204	OEMUIJLQOIXYQL-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2247740634	NKVCISXANUXGTR-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@H]1CN	2247754622	GTHSUIHHXIULLB-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
O=C(c1occc1B(O)O)N(O)C1CCCC1	2247756788	OHQCJVPQTIFKRT-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
O=C(N1CC[C@H](O)[C@H]2CC[C@@H]21)C1(B(O)O)CC1	2247758470	ZKQJVUXWKSRERH-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
O=C(N1CC[C@H]2OCC[C@H]2C1)C1(B(O)O)CC1	2247758889	YICSLLUQHSGGBD-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
CC1(CCNC(=O)c2n[nH]cc2B(O)O)CC1	2247782696	XDTDQLRIGGHRJL-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783406	FAWGKIREHDJGOL-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
Cc1ocnc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247791392	MRHGWJUZKFTWIQ-OCAPTIKFSA-N	238.052	-0.148	50	10	BBGE	
O=C(N[C@H]1CNC[C@@H](F)C1)C1CC(B(O)O)C1	2247801048	WKHPGSZDCQVOJP-ABIFROTESA-N	244.075	-0.944	50	10	BBGE	
CC1(C)[C@H](CN)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247803416	BABLEBQNRLGXAT-CIUDSAMLSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2247808458	KYFVULYPMVLLGJ-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CC(C)[C@H]1CN(C(=O)C#CB(O)O)CCCO1	2247848090	GYZJCDVYOFRNSW-SNVBAGLBSA-N	239.080	-0.725	50	10	BBGE	
C=C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247848186	IBNFJJIKUQPCDD-MRVPVSSYSA-N	235.048	-0.346	50	10	BBGE	
CCO[C@H]1CC[C@H](CNC(=O)C#CB(O)O)C1	2247848244	JACOCDVGVMIYLA-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247850678	RMKFCGPYDCMWLX-HTQZYQBOSA-N	236.080	-0.578	50	10	BBGE	
CCCC1(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2247850979	VBVQPCIMOICFRS-UHFFFAOYSA-N	236.080	-0.243	50	10	BBGE	
CCC[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247852428	UKYSDPDWRSMXEN-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC(N)C1	2247859038	JWBFIZOZNKMMNZ-SVWHESJJSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccoc1B(O)O	2247866056	FWBHJUMZIOAMRQ-RKDXNWHRSA-N	235.048	-0.512	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2occc2B(O)O)C1	2247874800	PJSKGWUILDEVFA-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
COC[C@@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877642	CNEFCNCXSCLEON-IUCAKERBSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247894424	GSMBHLSDNLNARJ-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1CN	2247896355	YOAAANHXWDGJIZ-XKNYDFJKSA-N	240.112	-0.707	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)[C@H]1C[C@@H](B(O)O)C1	2247908992	CYAGMYBYEUJIHY-JDDHQFAOSA-N	239.080	-0.610	50	10	BBGE	
C#CCOC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247909541	KJZFXQZPHLILTH-DTORHVGOSA-N	237.064	-0.900	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@@H]1N	2247910803	RJIWXNFQAOCEEV-WOOKNIGNSA-N	240.112	-0.565	50	10	BBGE	
CCCCNC(=O)c1ccc(B(O)O)cc1O	2247963268	NREMFGFTQHJBQE-UHFFFAOYSA-N	237.064	-0.398	50	10	BBGE	
COC(=O)C1(NC(=O)C2(B(O)O)CCC2)CC1	2248254257	DXHBHIPTJWPBKW-UHFFFAOYSA-N	241.052	-0.795	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CC=CCO1	2248419669	FNKZEZGVQYDMCS-UWVGGRQHSA-N	237.064	-0.452	50	10	BBGE	
CC(C)C(=O)NCc1ccc(B(O)O)cc1F	2248958353	DFNGSFLBCJXKOV-UHFFFAOYSA-N	239.055	-0.222	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1cocc1B(O)O	2249424060	NVZGZQZSDXELBH-RQJHMYQMSA-N	241.027	-0.468	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CCC[C@@H]32)n1	2254574409	SDLICYJKMNMZPU-SCZZXKLOSA-N	248.091	-0.241	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1ccoc1B(O)O	2255461731	LQPTXZUOTMOOQW-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255470474	DVPBVZAPUHRURM-MRVPVSSYSA-N	249.079	-0.925	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2CC[C@H]21	2255510152	VHVXAUXSGYUGEW-WCBMZHEXSA-N	248.091	-0.671	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@@H]2CC[C@@H]21	2255553480	ZJYLDANRCQOSQG-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
Cc1ccnc(C(=O)N2CC[C@@H]3C[C@H]32)c1B(O)O	2255573942	UHTGOVRQBZFTQS-RKDXNWHRSA-N	246.075	-0.696	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)N[C@H]1C=CCC1	2255594360	CBHDOBHQMGFIPP-QMMMGPOBSA-N	249.079	-0.969	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2255670151	CYGVCDZAEUKEFG-AAQQEJRNSA-N	246.075	-0.825	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)Nc1cccnc1	2255710884	QWIBSBUWMJUYMH-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1cc(B(O)O)co1	2258129851	YVBRCLORTLITFM-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1cocc1B(O)O	2258138306	INQSLKYCIRGVMB-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
NNC(=O)c1cn([C@H]2CCCC[C@H]2O)nn1	2296507295	QERVCNPEIOHAKS-JGVFFNPUSA-N	225.252	-0.642	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C=C[C@H]1C2	2298166077	QRZOBVCIDNBYFA-XFWSIPNHSA-N	235.287	-0.211	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298166198	ZSJJLCRRYFKTBV-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@H]1CCOC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371215	CZBJCNMSPRJWGV-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CO[C@H]2C3)nc1	2298556864	WMPIOJSZYBUTKI-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](F)C1(O)CNC1	2302406404	XBBNHVLJQXTYQM-VIFPVBQESA-N	247.314	-0.188	50	10	BBGE	
O=C([C@@H]1C[C@@H]2C[C@H]2CO1)N1CC[C@H](B(O)O)C1	2303114737	NUVKRXNWRWBDBR-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@@]2(CO)C1)C(=O)NN	2303424288	PZHMEDGBMDSFKF-DLOVCJGASA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836657	PCTDKBCGAAAVFB-CCGCGBOQSA-N	240.043	-0.918	50	10	BBGE	
OB(O)c1cc(N2CC(CCF)C2)ncc1F	2303847966	RBPNJVLGDGAPEO-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3cc(B(O)O)co3)C[C@H]12	2313083921	ULVQVYIKJUDIRA-QXFUBDJGSA-N	249.075	-0.313	50	10	BBGE	
COCCNC(=O)CCNC(=O)[C@@H](C)Cl	41697275	HVRXCAUUXBZOBK-SSDOTTSWSA-N	236.699	-0.117	50	10	BBGE	
COC(=O)C[C@H](C)SCC(=O)NNC(C)=O	85160806	UVSOYNULLDMHAT-LURJTMIESA-N	248.304	-0.162	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)NC[C@@H]2C1	85807905	ZWDAKZYDGJBCSV-RNFRBKRXSA-N	231.683	-0.150	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCCC[C@@H]2C1	86930331	UIKRMKBSOYSPBE-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
CC(C)(CN1C(=O)NC(C)(C)C1=O)C(=O)NN	93728176	WSGAAELKAFGPRK-UHFFFAOYSA-N	242.279	-0.667	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@@H]2CC[C@@H]1CC(O)C2	111214690	KMRSMIHRIJLNDU-DJLDLDEBSA-N	227.308	-0.257	50	10	BBGE	
NC[C@H]1CCCN1CC(=O)NNc1ccccn1	131861537	OZHWKOJVNNQIPV-SNVBAGLBSA-N	249.318	-0.052	50	10	BBGE	
CN(C)NC(=O)NC(=O)CCCC(=O)O	148150575	USFSTSXZHTUFER-UHFFFAOYSA-N	217.225	-0.456	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@H](C(=O)O)O1	149097779	UBBKJWGUYQNTTI-RNFRBKRXSA-N	231.252	-0.606	50	10	BBGE	
CN(C)NC(=O)NCC1(C(=O)O)CC1	149149789	CIXPSFYPXRCBHM-UHFFFAOYSA-N	201.226	-0.373	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CO)C1	159483295	LMZGMBAAXWYYTG-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
O=C(CCl)NC(=O)NCCCn1ccnn1	163919618	DYMWOOWAPSAFMZ-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
N#CC1=C(N2CCOCC2)NC[C@H]1C#N	196579895	KCXJBXVYVZDGPY-MRVPVSSYSA-N	204.233	-0.203	50	10	BBGE	
COC[C@H](C)N(C)Cc1cccc(B(O)O)c1	199015475	AJRUZZYEEYCHNN-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
OB(O)c1cnccc1I	199687441	IABLMRQBSSZTKR-UHFFFAOYSA-N	248.816	-0.634	50	10	BBGE	
OB(O)c1cnc(Nc2ccccc2)nc1	206037706	GARVKOHCHBUARR-UHFFFAOYSA-N	215.021	-0.100	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](N)C1	216481205	VGJVQXPYANUBKV-SFYZADRCSA-N	200.286	-0.822	50	10	BBGE	
OB(O)c1cccc(COC2COC2)c1	218892669	BAZFKRLSXBIYQX-UHFFFAOYSA-N	208.022	-0.718	50	10	BBGE	
COC[C@H](CCl)NC(=O)CS(C)(=O)=O	228909041	NQGSLXBKBNVXAP-LURJTMIESA-N	243.712	-0.599	50	10	BBGE	
Cn1nnc(Cn2ncnc2CCl)n1	236167768	BJEAUPKZUYGDLO-UHFFFAOYSA-N	213.632	-0.411	50	10	BBGE	
COc1cncc(C(F)(F)F)c1B(O)O	238344486	RFFWXIIMGJGPIC-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
CC[C@@H]1COCCN1[C@H](C)CC(=O)NN	251841939	QWXQHZPTHDYPFR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)C[C@H]1C	300354597	HXDKAUKCFCHJDN-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
O=C(CBr)NC1CS(=O)(=O)C1	306768386	PSBDLCUZXBKYOR-UHFFFAOYSA-N	242.094	-0.706	50	10	BBGE	
O=C[C@H](O)[C@H](Cl)[C@H](O)[C@H](O)CCl	307911641	GNXNPUPKMQGBAM-DPYQTVNSSA-N	217.048	-0.886	50	10	BBGE	
CCNC(=S)NNC(=O)c1nccnc1N	309220447	OIWPCGRENXAOGI-UHFFFAOYSA-N	240.292	-0.812	50	10	BBGE	
CCCOc1cnn([C@@H](COC)C(=O)NN)c1	310138669	CYLVMLSUZNFDEO-VIFPVBQESA-N	242.279	-0.151	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(C)c(B(O)O)c2)n1	313804890	QBXPDPDAIQBDJE-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
O=C(CCl)Cc1cc(F)cc(B(O)O)c1	396073694	VQAYDNRFBTUKPW-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
Nc1c(C=O)sc2ccc(B(O)O)cc12	396260375	UUSIKKROUUTBCU-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CC(C)(C)C(=O)NN	399428728	QIPQFYHSOXQECI-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	404996959	HIOYMKJIPQPULP-SSDOTTSWSA-N	234.064	-0.254	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1ccon1	405004888	QMCQNPTXSJNRLH-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCS(=O)(=O)N1CCC(O)(C#N)CC1	606285973	ZHCNDTNQNVWNLH-UHFFFAOYSA-N	218.278	-0.313	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)CO1	691373716	VAHBUHDPSOFEAV-SFYZADRCSA-N	229.280	-0.752	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@@H](C)O)C(C)C	692175772	QHKFHHVUQWUWQZ-BDAKNGLRSA-N	233.312	-0.918	50	10	BBGE	
O=C(OCCl)N1CCN(CCO)CC1	692863305	IGFAHAMNVULWEB-UHFFFAOYSA-N	222.672	-0.071	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(C#N)C1)C(=O)NN	693997558	MUXRUXMCTXUYSD-WPRPVWTQSA-N	210.281	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](C(F)(F)F)C1	698948619	GSYFXTFVHYZHHY-RITPCOANSA-N	241.213	-0.372	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCCC(=O)NNC(N)=S	700850156	ZQWXNLAALCADEI-WDSKDSINSA-N	244.320	-0.987	50	10	BBGE	
CC(C)(C(=O)NCB(O)O)C(F)(F)F	701939153	KRIWYHNJZBTKBY-UHFFFAOYSA-N	212.964	-0.297	50	10	BBGE	
C[C@H](CC(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703468182	BTXQHGODJWYJAY-VQVTYTSYSA-N	226.232	-0.833	50	10	BBGE	
N#CC1(O)CCN(S(=O)(=O)C(F)F)CC1	709373418	GOVRPWKXAYYUGW-UHFFFAOYSA-N	240.231	-0.111	50	10	BBGE	
N#CC1(O)CCN(C(=O)N[C@H]2CCOC2)CC1	709385631	MULYUFSSOCSYLS-VIFPVBQESA-N	239.275	-0.165	50	10	BBGE	
CC(=NNC(=O)[C@@H]1COCCO1)[C@@H]1CCOC1	745208361	OICOKVFXQHDACH-ZJUUUORDSA-N	242.275	-0.070	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)c1cnc[nH]1	853315799	XPUMBDUXDULXGO-SECBINFHSA-N	238.247	-0.335	50	10	BBGE	
CC1(C(=O)NNC(=O)CO)C[C@@H]2C[C@H]2C1	857171222	WABNVYPMKDNXPS-BQBZGAKWSA-N	212.249	-0.438	50	10	BBGE	
Cn1cc(Br)c(CB(O)O)n1	886042662	RRCWGVJBDKJNQY-UHFFFAOYSA-N	218.847	-0.263	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@@H](O)/C=C/C	899939545	SRVSJHADDSUGDO-MZTFZBDOSA-N	229.305	-0.395	50	10	BBGE	
O=C(CO)NCCC(=O)NCC(Cl)Cl	908184882	YMJGYVCMFJSKMK-UHFFFAOYSA-N	243.090	-0.595	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C[C@@H]1COC(=O)C1	1163316525	JYKAQLFLRALZAP-SFYZADRCSA-N	230.264	-0.717	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cnncc1O	1292351066	OPWGFMLCNVCOIS-UHFFFAOYSA-N	239.235	-0.465	50	10	BBGE	
NC1CN(C(=O)[C@@H]2C[C@@H]2Br)C1	1877412151	VWAVKHUXHLRYTD-RITPCOANSA-N	219.082	-0.061	50	10	BBGE	
CN(C)CC1(NC(=O)CCl)COC1	1881789350	AHUWZPZZBNSYNW-UHFFFAOYSA-N	206.673	-0.328	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883645545	PTHIZCVTXADXGG-XZBKPIIZSA-N	207.657	-0.528	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2S(=O)(=O)CCCl	1887152858	NXPORMUGDGODDZ-JGVFFNPUSA-N	238.740	-0.057	50	10	BBGE	
C[C@@](F)(C(=O)NNC(N)=O)C(F)(F)F	1888974518	QMZLYGDNIGECAY-SCSAIBSYSA-N	217.122	-0.024	50	10	BBGE	
COCCNC(=O)CNC[C@@H]1C[C@H]1Cl	1893097394	BJPYRSOWKKKLEE-JGVFFNPUSA-N	220.700	-0.034	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)[C@H]1C[C@@H](O)CN1	1893127260	GTDXZGKDQKHULZ-WCTZXXKLSA-N	218.684	-0.547	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)[C@@H]1C[C@@H]1Cl	1893475684	WVZRNMBIJVYKIX-UHNVWZDZSA-N	215.644	-0.215	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)[C@H]1C[C@H]1B(O)O	1893674779	LBIBEORNRDVRER-BNHYGAARSA-N	201.006	-0.534	50	10	BBGE	
C=C(CN1CCP(C)(=O)CC1)B(O)O	1895097634	SOFDWGYDWKKEDR-UHFFFAOYSA-N	217.014	-0.137	50	10	BBGE	
NCCCSC[C@@H]1CCC[C@H](C(=O)NN)O1	1896926818	AVRFDYJRURTAAA-DTWKUNHWSA-N	247.364	-0.004	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CS[C@H]2CC[C@@H]2N)O1	1900454441	KYNAMPBBCNYWDX-XGEHTFHBSA-N	245.348	-0.253	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C=C[C@H](C)N	1901339158	JEOBISJGIBAERF-QMMMGPOBSA-N	249.336	-0.409	50	10	BBGE	
Cc1scc(C(=O)N2CC[C@@H]2C)c1B(O)O	1902860333	VRUNYGXEFYNKMX-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
Cc1scc(C(=O)NCC(F)F)c1B(O)O	1902863760	CYCZJNGYNJEUPZ-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)c(F)cn2)CC1	1903019869	DFIVBLAISWKLEX-UHFFFAOYSA-N	220.996	-0.555	50	10	BBGE	
N=C(C[C@@H](O)CNC[C@H]1C[C@@H]1Cl)NO	1903813245	CAKRTKNIAVHFNT-QYNIQEEDSA-N	221.688	-0.090	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1nc(C(=O)NN)co1	1908494880	UKSUFONNLFJENC-SVRRBLITSA-N	240.263	-0.767	50	10	BBGE	
CC(C)[S@](C)(=O)=NCCOCC(=O)NN	1913853323	KAIJTRFVSALDHB-HNNXBMFYSA-N	237.325	-0.501	50	10	BBGE	
CCCN(C[C@H]1C[C@@H]1C(=O)NN)C1COC1	1915664804	QZVBWXYPSODXNS-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
CCN(Cc1ccc(C)c(B(O)O)c1)C1COC1	1915671356	IFBSFXOWWIKPKB-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
CCOC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927906464	ANSVRABCVMHLML-IONNQARKSA-N	213.281	-0.667	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H](C)O1	1936086335	UPTVJCNSEORBNH-JXUBOQSCSA-N	227.308	-0.278	50	10	BBGE	
CN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936089035	SKFCXHOOCNQHCT-VHSXEESVSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@@H](O)CCC[C@H]2C1	1938053618	SELFOSRQPOFQLQ-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
CC(C)(COC[C@@H]1COCCO1)C(=O)NN	1939100907	LYGGNJUWQAPWKS-QMMMGPOBSA-N	232.280	-0.566	50	10	BBGE	
CC(C)CN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1939256444	TXKPIJKMNNBKRC-VHSXEESVSA-N	229.324	-0.437	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)CC(=O)O1	1940622512	ZIZJHYPQYOHDIS-HRYDXZTJSA-N	237.255	-0.205	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCO[C@@H]1CCOC1	1941095138	SUZMKGHGAYJYKP-IVZWLZJFSA-N	244.291	-0.566	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1944298739	OLNANSBTCOMWRQ-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H](C)N1C	1945883108	UHDFWBUPEHRJKK-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CC2)CCN1C	1945883295	WZFBVOZPRATMSH-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCCN1CC2(CC[C@@H]1CO)CC2	1948553503	FOMWXNIRDFSKMZ-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C#C[C@]1(O)CCN(C[C@H](O)CCl)C1	1954824277	WAVQVCLHVSIBSR-BDAKNGLRSA-N	203.669	-0.344	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)CC1(F)F	1955224251	XMGQOJAVMCXNOU-BYPYZUCNSA-N	207.180	-0.910	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	1957686465	ORFCKBWDLLOUAL-YQXRAVKXSA-N	209.249	-0.911	50	10	BBGE	
C#CCC[C@H](NC(=O)NN(C)C)C(=O)O	1958362156	FPEUXCRCVFNKOO-ZETCQYMHSA-N	213.237	-0.371	50	10	BBGE	
OB(O)c1cccc(OCC2COC2)c1	1961320905	SLIAHJWUIOKATA-UHFFFAOYSA-N	208.022	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC([S@@](C)=O)C1	1961563022	GLZJEHZXGHWUFT-PUEPSQOVSA-N	233.337	-0.936	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]2C2CC2)n1	1961717762	FWRFULNYYLJWMV-SSDOTTSWSA-N	224.094	-0.188	50	10	BBGE	
CCCSc1ncc(B(O)O)c(OC)n1	1961725346	XMPASLNNQQPDGG-UHFFFAOYSA-N	228.082	-0.333	50	10	BBGE	
COC[C@@]1(C)CCN1C[C@H](C)C(=O)NN	1974731469	BRMWIYKBNDMVQS-WCBMZHEXSA-N	215.297	-0.277	50	10	BBGE	
COC[C@]1(C)CCN1[C@@H](C)CC(=O)NN	1974734565	NAOXRCURROECRH-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
O[C@H](CCl)CN1[C@H]2CC[C@H]1[C@H](O)CC[C@@H]2O	1977150596	UBAQBAGSXXULSA-KJPMQGKISA-N	249.738	-0.065	50	10	BBGE	
CN(Cc1cnsn1)C[C@@H]1C[C@@H]1C(=O)NN	1979643704	PWVFCJNYLVZDDT-XPUUQOCRSA-N	241.320	-0.404	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnn(C)n1	1981349092	QKJVKWLNSLGBIM-QMMMGPOBSA-N	226.284	-0.985	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2ccnc2C)n1	1981465113	JXYZWPGMYZAYHX-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1(F)CCC1	1983902983	HWWVVYMHKZWTNE-MRVPVSSYSA-N	233.287	-0.185	50	10	BBGE	
CC(C)COCn1cc(B(O)O)ccc1=O	1984101450	LAVZBZFQBHWJQA-UHFFFAOYSA-N	225.053	-0.842	50	10	BBGE	
CCN(CCC(F)(F)C(=O)NN)C[C@H](C)O	1984133146	YYBNEJJMQHMPNA-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@H](CN(C)CCOCC(=O)NN)C(F)F	1986283523	YVUMUDNWPMDKMP-SSDOTTSWSA-N	239.266	-0.174	50	10	BBGE	
CO[C@@H]1C[C@H](C(=O)NCB(O)O)C12CCC2	1988757678	DSHWOWDJDYRZAW-HTQZYQBOSA-N	227.069	-0.680	50	10	BBGE	
C[C@H]1[C@@H](N(C)CC(=O)NN)CCN(C)[C@@H]1C	1990104697	HGXAOJSBAGYRCP-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC=CC[C@@H]21	1990777283	XUPFRNPKCXETEN-ZJUUUORDSA-N	223.276	-0.196	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCC[C@@H]1[C@@H](O)CO	1991650369	BQXPXHGQUNECAO-SFYZADRCSA-N	247.678	-0.348	50	10	BBGE	
NC1(CNC(=O)/C=C/C(=O)Cl)CCOCC1	1991705011	ZLYXXGQRRDBYPO-OWOJBTEDSA-N	246.694	-0.068	50	10	BBGE	
NNC(=O)NC[C@@]12CCC[C@H]1CS(=O)(=O)C2	1993710273	LOKDGJRVLFYXPV-IONNQARKSA-N	247.320	-0.626	50	10	BBGE	
CCOC(=O)NCc1cc(C)c(B(O)O)s1	1993789741	VCWZMXZMBXVVDH-UHFFFAOYSA-N	243.093	-0.018	50	10	BBGE	
CN(Cc1ccno1)C[C@@H]1C[C@@H]1C(=O)NN	1993849091	UYUHTMZTNVTETE-CBAPKCEASA-N	224.264	-0.268	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(CC2(C(=O)NN)CC2)C1	1997257364	RYPSDSXJPFXYHA-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cn1cc2ccc(NC(=O)C(=O)NN)cc2n1	1997473242	BRPNPUHUGRYDLK-UHFFFAOYSA-N	233.231	-0.498	50	10	BBGE	
CN(CC(=O)NN)C1[C@H]2CC3C[C@H]1CN(C3)C2	2000465016	ZOMJNRRWGZXCGZ-QLWZBITOSA-N	238.335	-0.752	50	10	BBGE	
Cc1ccc(B(O)O)c(OC[C@@H](C)N(C)C)n1	2007002196	YFXFBEAPDGPYSY-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(O)(c2ccccc2)C1	2008500015	TXFFKHDGDRZAIH-SECBINFHSA-N	235.287	-0.432	50	10	BBGE	
C[C@H]1C[C@@H]2CN(CCCC(=O)NN)CCN2C1	2010601292	UAUJNZAFMVALSA-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
COC[C@H](OC[C@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)NN	2016500025	MQUPKZUWOMSWEU-WEYPZOTGSA-N	240.303	-0.090	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCC[C@@H]1OCC2	2021157472	MUENDRWGEHEHRA-ONGXEEELSA-N	237.064	-0.923	50	10	BBGE	
NNC(=O)c1coc(CN2[C@H]3COC[C@H]2C3)c1	2021413258	TZZXGCOBAZQTSZ-RKDXNWHRSA-N	237.259	-0.144	50	10	BBGE	
Cc1cc2ncc(C(=O)NNCCO)c(C)n2n1	2031838151	ZXUUYMZCOQPAQJ-UHFFFAOYSA-N	249.274	-0.427	50	10	BBGE	
Cc1conc1C(=O)Nc1ccc(B(O)O)cn1	2040766726	HZRJSXJOBIAGGC-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC12COC2	2051853694	LCDSXYURKNATOX-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](O)(c2ccccc2)C1	2057335142	HKRLRGIEXYWYJR-MFKMUULPSA-N	249.314	-0.042	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(B(O)O)c1Cl	2060016284	VACGPUOGNUYRAU-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
COc1cc(OC(F)F)cc(OC)c1B(O)O	2060186063	FNDDOOPYROYYGM-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
COc1cc(C)cc([N+](=O)[O-])c1B(O)O	2060379680	IOPZEUVJLUTZCH-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1cc(OCCn2ccnc2)ncc1B(O)O	2064611725	MSKCTBWFSFACJC-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2070842509	KYUCPHWNFFQOEP-KANREYFESA-N	244.103	-0.148	50	10	BBGE	
CCn1ccc(C(=O)N[C@H]2CCC=C2B(O)O)n1	2076077514	ZMVUXXOOFIMPFW-VIFPVBQESA-N	249.079	-0.266	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)c1cccn(C)c1=O	2210282315	VNBVVOCFGQOZHR-ZETCQYMHSA-N	224.264	-0.800	50	10	BBGE	
Cn1nnnc1N1C[C@H]2COC[C@]2(CCl)C1	2210673948	KZAXVRLDRMNTRV-CBAPKCEASA-N	243.698	-0.098	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H](CO)CC1CC1	2210715987	BHCNEKLKNCOCSS-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cnc(NC2C[C@@H]3C[C@H]3C2)nc1	2212603060	BWULKMACTNAVFC-BQBZGAKWSA-N	219.053	-0.633	50	10	BBGE	
CC(C)(N)CCOc1ccc(B(O)O)cn1	2212603864	KCSAWSQMDPDSJC-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C(C)(C)O	2212613105	RVBNARMDIONWDI-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
Cc1ccn(Nc2ncccc2B(O)O)c1	2212613112	RYUXBGRBBMOPGA-UHFFFAOYSA-N	217.037	-0.253	50	10	BBGE	
COCCCCNc1ncccc1B(O)O	2212615476	POTNRFGVYKWCHI-UHFFFAOYSA-N	224.069	-0.400	50	10	BBGE	
C#C[C@H]1CCN(c2ncccc2B(O)O)C1	2212615526	QITHFNFUUYIOPK-VIFPVBQESA-N	216.049	-0.779	50	10	BBGE	
NC[C@H]1CCC[C@@H]1Oc1ncccc1B(O)O	2217166725	OETUGXVCPUHXGF-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@H]2C(F)F)[nH]c1	2217171859	GAVOQPQQSBZAHX-HTRCEHHLSA-N	242.034	-0.504	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C1CCC1	2217181325	OKHOOCHXHPNUEQ-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@H]1CCCO1	2217183899	LMRPBGNBMNOUSA-IONNQARKSA-N	237.068	-0.864	50	10	BBGE	
C[C@H](N)C[C@@H](C)Oc1nccc(B(O)O)c1F	2217186776	OYJGEKCNDSCKNV-NKWVEPMBSA-N	242.059	-0.595	50	10	BBGE	
O=C(Nc1ncon1)c1ccccc1B(O)O	2217471699	VMCOREDLTVKESH-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
Cc1ncnc(N(C)CC[C@@H]2C[C@@H]2C)c1B(O)O	2220937272	OVUYVYWMGJESOM-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)C3(CC3)C2)c1	2223629287	UIRXWMKMEWVGRR-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
Cc1noc(C)c1CNc1ncccc1B(O)O	2223632249	HMJSMMAOKBBBMY-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
CC[C@]1(CNc2cc(B(O)O)ccn2)CCCN1	2223633863	CALWBAPBUGPHCW-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
N#CCC1CCN(c2ncccc2B(O)O)CC1	2223640437	WQHROFWPPJKSPX-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
C#C[C@@H]1CCCN(c2cc(B(O)O)c(C)cn2)C1	2223641787	WNLPDXDEQZAETP-LLVKDONJSA-N	244.103	-0.081	50	10	BBGE	
Cn1cccc(Nc2ncccc2B(O)O)c1=O	2223642958	POPSQVARGNSEBO-UHFFFAOYSA-N	245.047	-0.796	50	10	BBGE	
CC1(C)CCN[C@@H]1CNc1ccc(B(O)O)cn1	2223649296	WOEZTEZWIMHEQY-SNVBAGLBSA-N	249.123	-0.439	50	10	BBGE	
C=C[C@]1(O)CCCN(c2ccc(B(O)O)cn2)C1	2223653530	SJXMUIOOQAGKKJ-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
CN(Cc1cnccn1)c1cc(B(O)O)ccn1	2223665809	ILSWEVOPMFZKSH-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3ncccc3B(O)O)C[C@H]12	2223677939	VIIVGCVRXGPCOE-QCBRBAQYSA-N	247.107	-0.701	50	10	BBGE	
OC[C@@H]1CN(CCCCl)C[C@H](O)[C@H]1O	2242199180	NSUWSXVANFUFFK-CIUDSAMLSA-N	223.700	-0.739	50	10	BBGE	
C[C@H](CN1CCC=C[C@@]1(C)CO)C(=O)NN	2242609399	SVZYKVZBNSHFEQ-KOLCDFICSA-N	227.308	-0.375	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCCC[C@H]21	2243357460	XCNHZWMPTUUEFX-NXEZZACHSA-N	221.065	-0.207	50	10	BBGE	
CC(C)[C@@H](NC(=O)C#CB(O)O)C(F)(F)F	2243361411	AXCUBWZBGHXCBZ-SSDOTTSWSA-N	236.986	-0.295	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1sncc1B(O)O	2243378723	YDMGLTJWYDEBFP-KCQQBQQISA-N	240.093	-0.793	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396194	IXWZBHPXZYUETL-NRPADANISA-N	227.069	-0.920	50	10	BBGE	
CCN(O)C(=O)c1cccc(B(O)O)c1F	2243408431	NBQSCRCSQKJKFU-UHFFFAOYSA-N	227.000	-0.643	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)C1(B(O)O)CC1	2243409090	AVAIWGMBCPPGMJ-JGVFFNPUSA-N	229.085	-0.341	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2CC1C2	2243409756	OEEGFERRPJVUBN-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
C[C@@H](O)C(C)(C)NC(=O)C1(B(O)O)CCC1	2243411166	PCUDRRLMNZRSQK-SSDOTTSWSA-N	229.085	-0.341	50	10	BBGE	
O=C(N1CCC[C@@H]1CO)C1(B(O)O)CCC1	2243411721	ZAJPWWZCAKTLPY-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
C#CCC(=O)N[C@H](C)c1cscc1B(O)O	2243685427	URJPBQPKMVFMLF-SSDOTTSWSA-N	237.089	-0.372	50	10	BBGE	
C#CC(=O)Nc1ccc(B(O)O)c(Cl)c1C	2243686870	QXEXAECSTPAAFA-UHFFFAOYSA-N	237.451	-0.100	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccoc1B(O)O	2244146663	GLXPBYMRSMKGOU-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
CCCN(CC)C(=O)c1cc(B(O)O)co1	2244209450	AVNCFIQYCRDEET-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)no1	2244555706	QXIVMFZTHRKLRG-UHFFFAOYSA-N	222.009	-0.882	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C2CCC1CC2	2247722762	OHWBUUXGHXGDAE-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
O=C(Nc1cnccn1)c1ccoc1B(O)O	2247740002	DXFQRGODIGSGFP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1c(F)cccc1B(O)O	2247752284	MKSAWNQEYPOULX-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
Cc1cccc(C(=O)N(C)C2CC2)c1B(O)O	2247752789	VYVSKURNVQEBMI-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)C1(B(O)O)CC1	2247756564	NVHHSRAYMUSTRA-DTORHVGOSA-N	238.096	-0.702	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CF)ccc1B(O)O	2247761744	WXTHGVDLHPECLC-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
CC(C)N1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247790824	JODBRRPOFOXQTQ-DTORHVGOSA-N	240.112	-0.552	50	10	BBGE	
CCOC(CNC(=O)[C@@H]1C[C@@H]1B(O)O)OCC	2247798033	PODAGRCHQFGIJB-SFYZADRCSA-N	245.084	-0.635	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(N2CCCC2)C1	2247798734	WRXVWEKSDPOPFP-ZJUUUORDSA-N	238.096	-0.844	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(CCCO)C1	2247799125	ZWERPUOCAGCTCK-UHFFFAOYSA-N	241.096	-0.530	50	10	BBGE	
C#CCN(CC(F)F)C(=O)C1CC(B(O)O)C1	2247806433	NDAASMOWAGCLCO-UHFFFAOYSA-N	245.034	-0.034	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NN1CCC1	2247871319	ZLEHEOZKDQBBEC-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
Cc1cc(C(=O)N2CCCN2)ccc1B(O)O	2247874777	UEFUFSCEWSOGOT-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CC(C)[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2247878374	JLAURYRJKFJCAU-DTWKUNHWSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCC[C@H]1CCO	2247894095	CHEFBAMTGGYJHP-IVZWLZJFSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@]12CO[C@](CF)(C1)C2)[C@H]1C[C@@H]1B(O)O	2247898183	AZMYPUCIXMCERM-YIKMNZTOSA-N	243.043	-0.763	50	10	BBGE	
CCN(CC)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898494	FATIDXXGOGTEIE-ZJUUUORDSA-N	240.112	-0.598	50	10	BBGE	
O=C(NC[C@@H]1CCCNCC1)[C@H]1C[C@@H]1B(O)O	2247898829	IANCUXQWCJOVOV-UTLUCORTSA-N	240.112	-0.645	50	10	BBGE	
C#CCCNC(=O)Nc1ccccc1B(O)O	2247980883	WBVZNJDBGQLOQR-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
CCCC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248579288	PWUHPVJXYKOYJB-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
CC[C@@H](C)NC(=O)CN1CCC(B(O)O)CC1	2249356511	LXQVPUVLWGBULV-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)co2)CCC1	2249428000	MUBBJOWQTYVPMQ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2250338298	XEAZXBAVXUNRBY-ULHKAFAUSA-N	241.335	-0.296	50	10	BBGE	
CCNC(=O)NCc1ccc(C)c(B(O)O)c1	2253232687	BAODEKOQNLKIQQ-UHFFFAOYSA-N	236.080	-0.506	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2n[nH]cc2B(O)O)C1	2255546685	IPQWDXBJOLXFHR-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)n[nH]2)CC=CCC1	2255548439	SVCHSMKCCXZYPO-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
Cc1cnc(C(=O)N[C@H]2CC[C@@H]2C)c(B(O)O)c1	2255556409	OVGPJJUVSZEZHY-WPRPVWTQSA-N	248.091	-0.402	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cccc(F)c1B(O)O	2255694318	YIHGQSOLTQDVGN-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1ccoc1B(O)O	2255716560	SDZASBQFAMDVHF-KTOWXAHTSA-N	249.075	-0.122	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1CC2(CC2)C1	2255731695	JTPQAAZRXYZPCJ-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2CCOC2)c1	2255736775	SSNVFAVAUXAMSH-LLVKDONJSA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cocc1B(O)O	2258141345	ITRMZADUQNVWMB-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369526	XPHMCBUHOVWTGA-KYXWUPHJSA-N	241.096	-0.410	50	10	BBGE	
CC1(C)[C@H](O)CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377491	SPWUWNZMSHGATH-FNCVBFRFSA-N	241.096	-0.485	50	10	BBGE	
O=Cc1ccc(N2CC[C@@H]3C[C@H]32)cc1B(O)O	2301422063	CTDVCFCSJWOADG-PRHODGIISA-N	231.060	-0.223	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2(CC[C@@H]2O)C1	2302049851	LGUZCJDMSHNLNZ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)[C@H]1C[C@@H](B(O)O)C1	2302282632	NUJRCFHLYCJZGS-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)N1CC[C@@](C)(B(O)O)C1	2303112377	RLYGYDPGIOMFGC-WCABBAIRSA-N	241.096	-0.266	50	10	BBGE	
CC[C@](C)(CN(CCO)CCCO)C(=O)NN	2303426386	NKNZUVWCKSARQC-LLVKDONJSA-N	247.339	-0.931	50	10	BBGE	
CCN1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	2307777020	AXPINNPQPVZDAM-BDAKNGLRSA-N	240.307	-0.240	50	10	BBGE	
CN[C@H]1CN(c2ncccc2B(O)O)CC1(C)C	2314822384	QJNCWGSKIILOKZ-JTQLQIEISA-N	249.123	-0.804	50	10	BBGE	
COCCNC=C(C#N)C(=O)NCCCl	2325265270	KJLBBJLERXNMDV-UHFFFAOYSA-N	231.683	-0.015	50	10	BBGE	
N[C@@H]1[C@@H](Br)C[C@H](C(=O)O)[C@H]1O	13805314	IWDOFPCKEVVRHC-QMKXCQHVSA-N	224.054	-0.457	50	10	BBGE	
O=C1O[C@@H]([C@H](O)CBr)C(O)=C1O	39385640	LKVQNCTVFJZFIV-MVHIGOERSA-N	239.021	-0.005	50	10	BBGE	
Cc1cccc(NC(=O)COCC(=O)NN)c1	58838728	LOSJXNWWCPHGAT-UHFFFAOYSA-N	237.259	-0.060	50	10	BBGE	
CN(CCN1CCCC1)CC(=O)NN	82469054	UJBGZIKKSYMMOP-UHFFFAOYSA-N	200.286	-0.996	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cc(C(N)=O)cn1	82471514	NEAOABVFUYFAOQ-SSDOTTSWSA-N	225.252	-0.831	50	10	BBGE	
Cn1c2c(cc(C(=O)NN)c1=O)CCC2	82673558	NXUZZWYUVAGXDX-UHFFFAOYSA-N	207.233	-0.523	50	10	BBGE	
C[C@@H](CO)CNS(=O)(=O)CCl	84901617	VYQZOXPGYFEEJQ-RXMQYKEDSA-N	201.675	-0.270	50	10	BBGE	
CC[C@H](SC)C(=O)NNC(=O)c1c[nH]nn1	121817514	QMBFBBSHNUGJKQ-LURJTMIESA-N	243.292	-0.293	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@@H](O)C1	123834198	DPKXGVFBYBEQGV-GFCCVEGCSA-N	249.314	-0.214	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc(CCCO)c1	139273404	FKJGKVVRJCVNNL-UHFFFAOYSA-N	237.259	-0.460	50	10	BBGE	
CCN(C)C(=O)[C@@H](C)NS(=O)(=O)CCl	231876576	XFGSSMNLCZTDAL-ZCFIWIBFSA-N	242.728	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](CO)CCCO	238419611	KFVAHYQTIGEXPP-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1C[C@@H](C)O	306108641	SMSMOUJOACRKQO-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
O=C(CBr)N[C@H]1COC[C@H]1O	306281564	XEBKKLLEKXTUCH-CRCLSJGQSA-N	224.054	-0.743	50	10	BBGE	
COCC(COC)O[C@@H](C)CCC(=O)NN	309416134	WDYGNVVMLBWSOE-QMMMGPOBSA-N	234.296	-0.177	50	10	BBGE	
N#Cc1cnn(Cc2cc(C(=O)NN)co2)c1	310213378	VJVHGGKAKDTLTD-UHFFFAOYSA-N	231.215	0.000	50	10	BBGE	
OB(O)c1ncnc2cc3c(cc12)OCO3	380994464	LZSMSROZPMDAIY-UHFFFAOYSA-N	217.977	-0.962	50	10	BBGE	
NC(=O)NN=C(CO)C1(O)CCCCC1	383924472	PAKIKAAFXZHAOV-UHFFFAOYSA-N	215.253	-0.302	50	10	BBGE	
CC[C@]1(O)CCCC(=NNC(N)=O)[C@@H]1O	389517608	XLBAMGWFSVVUOJ-CBAPKCEASA-N	215.253	-0.303	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCC[C@@H](O)C1	395820833	RRZMNWJOUSNIAY-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=CCCc1cc(/C=C\C(=O)O)cc(B(O)O)c1	396133556	QDJAMJQDWFHCNQ-ARJAWSKDSA-N	248.043	-0.404	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398758104	USECLEYHFJRQMG-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C[C@H](O)C[C@H]2C1	405281342	ZPHYRCKWACDCKT-LPEHRKFASA-N	229.711	-0.132	50	10	BBGE	
CS(=O)(=O)CCN1CCC(O)(C#N)CC1	687796979	RGFISJPOXASULB-UHFFFAOYSA-N	232.305	-0.619	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@H](C)O1	689158382	BQNLENKWTZPCTE-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
Cc1cnc(CCNC(=O)C(=O)NN)c(C)c1	689428661	WFCSUVXMNUELCS-UHFFFAOYSA-N	236.275	-0.653	50	10	BBGE	
NC(=O)C[C@@H]1CCN(S(=O)(=O)CCl)C1	690802813	DPLOTQLQJXRKON-LURJTMIESA-N	240.712	-0.290	50	10	BBGE	
C[C@@H](O)CN(C1CC1)[C@H](C)CC(=O)NN	692096181	OSXKEFPGIBVTSO-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
CCN(CC)C1CN(CCCC(=O)NN)C1	697804908	LHUFPFAROYRMGB-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CCC1CN([C@H](COC)C(=O)NN)C1	698427215	RUJAWIRITTXCER-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)NCB(O)O)CC1	705894565	WBWRXLOSGPAOSD-ZKCHVHJHSA-N	214.074	-0.124	50	10	BBGE	
O=C(/C=C\c1cccc(F)c1)NCB(O)O	706509640	FBORHCBPGSODAE-PLNGDYQASA-N	223.012	-0.033	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708080070	LUKPVORUVJMFAG-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
O=C(NNC(=O)c1cncs1)c1cnn[nH]1	729457497	OGTMOVZAGXVSBY-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
CN(NC(=O)Cc1ccc(C(N)=O)nc1)C1CC1	862038255	LLTYHMUDRSEAJU-UHFFFAOYSA-N	248.286	-0.152	50	10	BBGE	
C[C@@H]1CSCCCN1CC(=O)NN	885887912	SYRUJNBJZIBHIQ-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
O=C1N[C@@H](Br)CN2CCN[C@@H]12	952958913	OVDZRLBXCHOZEN-RFZPGFLSSA-N	220.070	-0.932	50	10	BBGE	
O=S(=O)(NCCO)C(Cl)Cl	1201806719	RQMODAUNTCLZNI-UHFFFAOYSA-N	208.066	-0.341	50	10	BBGE	
CC(=O)NNC(=O)[C@H](O)c1ccc(C#N)cc1	1539517880	IGHABDUOSVVOJK-SNVBAGLBSA-N	233.227	-0.241	50	10	BBGE	
CCNC(=O)CCC(=O)NNC(C)=O	1540496251	LFVSJNBSKHOETF-UHFFFAOYSA-N	201.226	-0.930	50	10	BBGE	
COc1cc(C(=O)NNc2cnnn2C)on1	1558988799	HBRZEVYILNCAMP-UHFFFAOYSA-N	238.207	-0.431	50	10	BBGE	
CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3Cl)[C@H]2C1=O	1615949543	MLOSMCLLMVPMSJ-GBFNJJICSA-N	229.663	-0.165	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1cnn[nH]1	1627298180	DFUIHHCRAPMDFA-UHFFFAOYSA-N	222.208	-0.885	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-]	1627565350	HUANTATYXZYOKW-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
CCn1cc(CC(=O)NNc2ccncn2)nn1	1641048571	VTDRVEJCPVDISO-UHFFFAOYSA-N	247.262	-0.226	50	10	BBGE	
N[C@@H](CO)C(=O)NC[C@@H]1C[C@@H]1Br	1877375812	RCRMZSJMQMORKP-ZLUOBGJFSA-N	237.097	-0.794	50	10	BBGE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NN)C1	1880045555	JSIHAAHAASUPKC-SNVBAGLBSA-N	245.279	-0.652	50	10	BBGE	
NC(=O)C[C@H](N)C(=O)NC1CC(Cl)C1	1884419653	LZGBAYQPRVHTEY-WRVKLSGPSA-N	219.672	-0.925	50	10	BBGE	
CN(C)CC1(NS(=O)(=O)CCl)COC1	1884519346	VKMHNTFONWCLLR-UHFFFAOYSA-N	242.728	-0.567	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)C[C@@H](CCO)O1	1885271824	PHSTWCDREJOGCI-RNFRBKRXSA-N	203.242	-0.959	50	10	BBGE	
COC[C@H](OC[C@@H](C)OC)C(=O)NN	1886076281	CTAWIYHTNLENQI-RQJHMYQMSA-N	206.242	-0.957	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@H]1COC[C@H]1C	1888042893	LRNXLSXALQEPQS-BWZBUEFSSA-N	202.254	-0.194	50	10	BBGE	
COC1CN(S(=O)(=O)NOCCCl)C1	1888314366	BSRHDJSSEVULSC-UHFFFAOYSA-N	244.700	-0.678	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CC#N	1888554848	QUUNXBDVDWJTDX-UHFFFAOYSA-N	219.266	-0.399	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCCO1	1901200613	WOPYMKYTRQSFLU-UHFFFAOYSA-N	218.021	-0.620	50	10	BBGE	
Cc1nc(C(=O)N2CC[C@@H](B(O)O)C2)no1	1902517438	IRHHLEZUWXAPOU-ZCFIWIBFSA-N	225.013	-0.933	50	10	BBGE	
COC[C@@H]1CC[C@H](C(=O)NCC#CB(O)O)C1	1910311573	DNQGMHWTHIYPJM-ZJUUUORDSA-N	239.080	-0.819	50	10	BBGE	
C[C@@H](CN(C)CC1(CO)CC1)C(=O)NN	1915531187	JORNEBMBJKRXQF-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)CCCCN(CCCO)CCCO	1922159510	ANSMJMNMITWQPN-UHFFFAOYSA-N	247.339	-0.787	50	10	BBGE	
COC[C@H](C)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927913448	JGZGHWOBADKOLM-XHNCKOQMSA-N	215.297	-0.421	50	10	BBGE	
NC(=O)CO[C@@H]1CCN(C(=O)OCCl)C1	1928132555	JLDBXLRYDWHKAP-ZCFIWIBFSA-N	236.655	-0.105	50	10	BBGE	
C#CCOC1CN(S(=O)(=O)CCl)C1	1929067035	DUBVEAXDHAIWSZ-UHFFFAOYSA-N	223.681	-0.154	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@H]1CO)C(=O)NN	1929740069	DVXDBAFVODJMDO-HTQZYQBOSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C(=O)NC(=O)CCl	1931393278	WFXMPVIXXHKGBI-RXMQYKEDSA-N	235.671	-0.343	50	10	BBGE	
CO[C@@H]1CN(C)C[C@H]1NC(=O)CCl	1931647112	JJXQVWWYHZOFQN-RNFRBKRXSA-N	206.673	-0.330	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@@H]2CC[C@H]21	1931919715	QMYUIJFYSPLNFE-BWZBUEFSSA-N	215.322	-0.055	50	10	BBGE	
C[C@H]1[C@@H](C(=O)NNC(N)=S)C1(F)F	1932943565	KFUUQKGCDYPTFT-HRFVKAFMSA-N	209.221	-0.248	50	10	BBGE	
CC(F)(F)CCn1ccc(B(O)O)n1	1932986965	MSTBFRZTXKSRNJ-UHFFFAOYSA-N	203.985	-0.392	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(C2CC2)C1	1933056720	MZXSUOQTFRDTPS-WCBMZHEXSA-N	209.293	-0.046	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@]12CCOC2	1935056827	ZNBYLQYOJFLHAF-SCZZXKLOSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)[C@@H](F)C1	1936025290	AJNMPPASNWCYNW-WDSKDSINSA-N	241.213	-0.984	50	10	BBGE	
NNC(=O)COCCN1CC(CC2CC2)C1	1936527340	ACBGIAHZAPRCRH-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
C[C@H]1C[C@@H](C)N(CCOCC(=O)NN)C1=O	1936528935	JFUZHGSTWXKQNT-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
NC(=O)[C@H]1CC[C@H](NC(=O)NC(=O)CCl)C1	1936943476	UDCLULWMZUCSEV-WDSKDSINSA-N	247.682	-0.295	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COC[C@@H]1CCl	1937179179	HCGRRUUBCROHPB-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
CN(C)[C@@]1(C)CCN(CCCC(=O)NN)C1	1937549800	WXYZEDBDWIAAIH-NSHDSACASA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@@H]21	1940525694	TXZLYLYDZQTINO-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCO)C1CCCC1	1941086151	HLWLAGMIINCDMV-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1CC1(C(=O)NN)CC1	1945883457	ZFSBVLUMWPEKQM-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CC(N)=O)N(C)CCC(C)(C)C(=O)NN	1946074380	DSWVBLXGOCSMRX-MRVPVSSYSA-N	244.339	-0.412	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC[C@H]1CO)CC2	1948554914	VXUBLIKSUNMWFZ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(O)(CO)C1	1954054993	BPPHFRUINLPRLI-ZCFIWIBFSA-N	207.657	-0.431	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@H]2C[C@H]2CCl)N1	1955092004	SLXQJFCJNBSITA-RNJXMRFFSA-N	238.740	-0.105	50	10	BBGE	
O=C(OCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955547978	FDFLHVWBPBNLAA-XZBKPIIZSA-N	221.640	-0.255	50	10	BBGE	
OB(O)c1cnn([C@@H]2CC[C@@H]3C[C@H]3C2)c1	1957525326	QKFLMNNZZVUYSN-KHQFGBGNSA-N	206.054	-0.076	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1958122876	QLHGLRCTLVYYKQ-UOWFLXDJSA-N	219.191	-0.023	50	10	BBGE	
C[C@@H](CN1Cc2conc2C1)C(=O)NN	1958699025	GMZBUXZVGQLUQB-LURJTMIESA-N	210.237	-0.384	50	10	BBGE	
N#CC1=CCN(CC(=O)NCCO)CC1	1960167766	LIVUDKHNDZSXRB-UHFFFAOYSA-N	209.249	-0.749	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@@H]21	1961695423	DALQBFZWSIJMFX-CBAPKCEASA-N	204.038	-0.640	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[C@@H]1CO	1978944607	MCCNPGUUFOFPGM-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
CC[C@H](COC)N(C)CCOCC(=O)NN	1979241335	LXPNNUGSLLKKAV-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H]1CF	1981410225	XFHZEUOQMVRLOU-QMMMGPOBSA-N	224.044	-0.300	50	10	BBGE	
Cn1ccnc1Sc1ccncc1B(O)O	1981454547	LOKAEBHLDTYDOH-UHFFFAOYSA-N	235.077	-0.354	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CCCCO1	1981471525	JMWMDPAMUQOFNO-UHFFFAOYSA-N	242.471	-0.053	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@H](O)C[C@H]21	1984035302	VWWMFGRANLZLAT-IVZWLZJFSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H](C)CCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1984689535	YONAPTWQCRKQAJ-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](NC(=O)C1CC1)c1nscc1B(O)O	1987174708	IILGTQZOOHNJGC-YFKPBYRVSA-N	240.093	-0.590	50	10	BBGE	
CC12CCC(C(=O)NCB(O)O)(CC1)CO2	1988614019	DAAMEOYPKHWSAT-UHFFFAOYSA-N	227.069	-0.536	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991647860	JDAWYCLMXGWFEX-ZCFIWIBFSA-N	245.666	-0.423	50	10	BBGE	
C[C@H]1CN(C(=O)C=CC(=O)Cl)CC(=O)N1C	1991647931	JQLZQWNLJRZXCP-ZETCQYMHSA-N	244.678	-0.003	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@]12CN[C@@H](CO1)C2	1991654929	PYXYJAXAZJOAFK-GMSGAONNSA-N	244.678	-0.445	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1991705179	BGMQQGNLMCPSCZ-RPPHBSHKSA-N	247.678	-0.349	50	10	BBGE	
C=C(CN1CC[C@@H](OCCOC)C1)B(O)O	1992154499	ZGMQBMXWFZLXHD-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
C=C(CN(CCCOC)CCOC)B(O)O	1992159852	PGJBRQJFAYBZJC-UHFFFAOYSA-N	231.101	-0.461	50	10	BBGE	
Cc1nc([C@H]2CCN2CCCC(=O)NN)no1	1997764134	FQEREYNCEXGRCW-MRVPVSSYSA-N	239.279	-0.105	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)CC[C@@H]1CO	2001925565	HNTQDQBBMZIKKN-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CCC[C@H](C1)C2O)C(=O)NN	2002478828	WWFUKKLASASIKP-GKDVJIACSA-N	241.335	-0.295	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CCC(=O)NN)C[C@H]1OC	2004906562	JCXJZORQRHZHGC-ILWJIGKKSA-N	245.323	-0.509	50	10	BBGE	
CCOCCN(CC)c1ncc(B(O)O)cn1	2004915647	BFMDMESCONRRKP-UHFFFAOYSA-N	239.084	-0.981	50	10	BBGE	
Cc1ncnc(N2[C@@H](C)CC[C@H]2C)c1B(O)O	2004975293	WVYBTVRTPWFVNF-OCAPTIKFSA-N	235.096	-0.158	50	10	BBGE	
COC1(C)CN(c2ccc(B(O)O)c(C)n2)C1	2005013872	CADHVOVETKFLIU-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
Cc1cnc(N2C[C@H](F)[C@@H](F)C2)c(B(O)O)c1	2005017977	MSJYOKTZLOZAIT-IUCAKERBSA-N	242.034	-0.434	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)ccc2=O)C1	2008841360	ZIPKQINDYXNWFS-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011298151	VEJFSFTWZYNKSJ-FOGDFJRCSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ncc(F)cc1B(O)O	2014928466	JJGXWRJXTRGIRR-HZGVNTEJSA-N	241.027	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@H]2CC[C@H]21	2015990493	OPQJVKUFSUDDPP-QGKZMRNZSA-N	239.319	-0.542	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CCC=C2B(O)O)n[nH]1	2020059885	RMSSVARAERASER-MRVPVSSYSA-N	235.052	-0.451	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N[C@H]2CCC=C2B(O)O)CO1	2020066875	ANBYWDXMCDPHGG-WEDXCCLWSA-N	239.080	-0.372	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC[C@H]2C[C@H]21	2040234968	GFODFMMWYQMCEI-DJLDLDEBSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]2CO3)cn1	2056631192	LMGGLKFJGULRPK-VHSXEESVSA-N	248.286	-0.342	50	10	BBGE	
CCc1c(F)ccc([N+](=O)[O-])c1B(O)O	2060083818	FIDLTUUOVKZIAV-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)cc1C=O	2060238961	VLIPBDBAWABCOG-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
CCc1c(B(O)O)ccc(C#N)c1[N+](=O)[O-]	2060282718	QYULAOVRQLYBDD-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC=C[C@@H]1CF	2082874289	SXRPBBUQCCPMKN-LLVKDONJSA-N	249.050	-0.284	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1ccc(B(O)O)cn1	2212603741	QULANZFDCYSQFJ-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
C#CC(C)(C)Nc1cc(B(O)O)c(C)cn1	2212604133	MQTLYOMQWCUYLK-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
C#C[C@@H](C)CNc1nccc(B(O)O)c1F	2212604934	UZQDIWPJIGXARF-SSDOTTSWSA-N	222.028	-0.418	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@@H]3C2)CC1	2213027208	FXAYBANWTLSYBD-UTLUCORTSA-N	239.319	-0.541	50	10	BBGE	
CC1(C)CNC[C@@H]1Oc1ccc(B(O)O)cn1	2217171078	AAUXZEZVPKSAKH-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N2CCC[C@H]2CO)cc1B(O)O	2217178832	BHMBUBFPXYCSBW-VIFPVBQESA-N	236.080	-0.969	50	10	BBGE	
N[C@H]1CCC[C@H]1COc1ccc(B(O)O)cn1	2217184615	QIMCOBFMZZQKCF-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
CNCC(C)(C)COc1ccc(B(O)O)cn1	2217194037	ZNPFTEJEHNACSJ-UHFFFAOYSA-N	238.096	-0.614	50	10	BBGE	
N[C@H](CCOc1cc(B(O)O)ccn1)C1CC1	2217194579	BFNSKEJLCYSQFI-SNVBAGLBSA-N	236.080	-0.732	50	10	BBGE	
C[C@@]1(CNc2cc(B(O)O)ccn2)CCOC1	2217199948	PQHSBIJRCGWICC-NSHDSACASA-N	236.080	-0.400	50	10	BBGE	
Cc1c(Nc2ccc(B(O)O)cn2)cnn1C	2217204287	HSJYIVHREVFORS-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
C=CC1(Cn2cc(B(O)O)cnc2=O)CCC1	2217409916	YOAUWNPZLVSZLM-UHFFFAOYSA-N	234.064	-0.721	50	10	BBGE	
C[C@@H](CN1CCCC1)Nc1cc(B(O)O)ccn1	2223625307	DEETUPHXIUTYER-JTQLQIEISA-N	249.123	-0.342	50	10	BBGE	
N[C@@H]1CC[C@@H]2C[C@]12COc1ncccc1B(O)O	2223651042	UQTMOHGEYDYBNU-HLUHBDAQSA-N	248.091	-0.732	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3CNCC[C@H]32)c1	2223656951	UJKMOZKWMKVOLE-FBIMIBRVSA-N	248.091	-0.862	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCCNC[C@H]2C3)c1	2223671311	JWOAJWTXRMFBNW-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3C=C[C@H]2CC3)nc1	2223673133	DTEDYTQBQVYEIP-ATZCPNFKSA-N	245.091	-0.077	50	10	BBGE	
Cc1sc(C(=O)NO)c(C)c1B(O)O	2241584757	SOUGHXUINNJCKL-UHFFFAOYSA-N	215.039	-0.836	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cscc1B(O)O	2243348483	YGHKDIUCYJWERL-IMTBSYHQSA-N	239.105	-0.092	50	10	BBGE	
O=C(NCCC1CC1)c1ccc(B(O)O)s1	2243349420	LAOGPZUBZHJHIC-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
CN(C)CCCN(C)C(=O)C1(B(O)O)CC1	2243365299	KSOVXSNEPKBESQ-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N(C)CCF	2243378247	PIAVNLZWSOMJNR-UHFFFAOYSA-N	245.084	-0.222	50	10	BBGE	
CC[C@@H]1CN(C(=O)C#CB(O)O)CCCO1	2243401411	QRQHHSWXNSGUME-SECBINFHSA-N	225.053	-0.971	50	10	BBGE	
C[C@H](CC#N)NC(=O)c1ccc(B(O)O)s1	2243406665	CKRRYQQBCGJQGS-ZCFIWIBFSA-N	238.077	-0.540	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2243416111	HBZDRDJCEDYNQB-LURQLKTLSA-N	227.069	-0.874	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243426703	KOTXQEFGDXYFDT-MKIUOGOPSA-N	247.125	-0.925	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC[C@H]2COCCN2C)C1	2243502203	HAJPXLCKKCYFTR-GARJFASQSA-N	247.770	-0.172	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC[C@]12C[C@H](CO1)C2	2245217683	YWWMJIGTLWQAIU-FTYOSLGDSA-N	226.276	-0.192	50	10	BBGE	
CC1(F)CN(c2cc(B(O)O)c(Cl)cn2)C1	2245913381	QNHUHVZHNMWINF-UHFFFAOYSA-N	244.462	-0.037	50	10	BBGE	
CC[C@@]1(C)OCCC[C@@H]1NC(=O)C#CB(O)O	2247740452	KWBDMANGSVMDDJ-GXSJLCMTSA-N	239.080	-0.534	50	10	BBGE	
C=C1CC(N(C)C(=O)c2cc(B(O)O)c[nH]2)C1	2247742050	JXXARZBWYNSUHQ-UHFFFAOYSA-N	234.064	-0.515	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@]2(CCCO2)C1	2247742775	UDCDWTRPLHFOTB-LLVKDONJSA-N	237.064	-0.827	50	10	BBGE	
COc1c(C)ccnc1NC(=O)C#CB(O)O	2247743189	AGKMRXPPUCQBAF-UHFFFAOYSA-N	234.020	-0.647	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCCC1(F)F	2247747415	NCWZPEJYMSCWJG-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
CN1CCC(CNC(=O)C2(B(O)O)CC2)CC1	2247758508	ZWTRHKLQEXIVBW-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CC1(C)CC(NC(=O)c2cc(B(O)O)n[nH]2)C1	2247785096	FWOVJEMQIKJBDE-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1CC(CO)C1	2247790406	HBVWZJKRKJGLBH-UHFFFAOYSA-N	241.096	-0.531	50	10	BBGE	
CCC[C@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247792218	RDTQOOKAORXDDZ-FXPVBKGRSA-N	243.112	-0.093	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2247799937	JRZHDPCAYQRTTR-SSDOTTSWSA-N	237.064	-0.180	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247803647	CCDDGWJVWDDZER-ZOZBQHSOSA-N	241.096	-0.079	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@H]21)C1CC(B(O)O)C1	2247806636	OAMPFCQIFNFHJD-SIVIVCJJSA-N	238.096	-0.894	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCCCCC1	2247846211	BWKHGYRMFOPSAU-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)[C@H]1C(C)C	2247846834	MWEHGPNODHOFKJ-KOLCDFICSA-N	239.080	-0.726	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2CC[C@@H]21	2247848650	ONARQHQNSIXQNQ-XCBNKYQSSA-N	234.064	-0.681	50	10	BBGE	
CC1(C)CNCC[C@H]1NC(=O)C1(B(O)O)CC1	2247854216	YUPZFIBQLPBPNX-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CCN[C@H]2C1	2247859146	KNXBNZQZSKCHBW-NFTFJBJSSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)[C@H]1C[C@H](B(O)O)C1	2247860411	WTPWSFXTMNAMRE-IGMVRWFHSA-N	239.080	-0.752	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1CC1(C)C	2247869182	NFLLZZRLQCFKGU-VIFPVBQESA-N	236.080	-0.767	50	10	BBGE	
CC1(C)C[C@H](N)CCN1C(=O)C1(B(O)O)CC1	2247877866	FOSDVQMSXXHOFZ-MRVPVSSYSA-N	240.112	-0.278	50	10	BBGE	
C[C@@]12CNC[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247879452	VLDCWYIDTYQKEY-WPRPVWTQSA-N	238.096	-0.939	50	10	BBGE	
COc1ccc(C(=O)NC(C)C)c(B(O)O)c1	2247892148	VCCSLRVVIPUMDZ-UHFFFAOYSA-N	237.064	-0.487	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]2C1	2247896068	DRTDPBJPVAUHCY-BQHMLIOBSA-N	239.080	-0.921	50	10	BBGE	
Cn1[nH]c(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)cc1F	2247903415	KMGISVKPPGEOSI-OLQVQODUSA-N	241.031	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(C(=O)C2CC(B(O)O)C2)C1	2247909153	FWQWQICCNZADOD-SEZDTBSWSA-N	240.112	-0.565	50	10	BBGE	
CCC(F)(F)C(=O)Nc1ccnc(B(O)O)c1	2248416803	ZAVBKEPCXOARHS-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@H]2C1	2249419168	DASRDUOYFUDTGO-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC=CCC1	2249424969	ZRCLIUHTNHERJJ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2249428636	BFBQOPWTLCNBNI-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
COc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1B(O)O	2250088676	DGHYZEIAZUQSKA-PHDIDXHHSA-N	239.040	-0.770	50	10	BBGE	
NC[C@H](NC(=O)C1(B(O)O)CC1)c1ccccc1	2255487151	KUGUYVRVSPCIQA-JTQLQIEISA-N	248.091	-0.190	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)cn1C1CC1	2255506002	NSQDPNWJNLTVDB-UHFFFAOYSA-N	246.075	-0.744	50	10	BBGE	
N[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)c1ccccc1	2255571613	QHBUGIJMNJVMOF-GMTAPVOTSA-N	248.091	-0.335	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3c[nH]nc3B(O)O)[C@@H]1C2	2255572135	VURXDDPWDYRWTG-DKCNOQQISA-N	249.079	-0.992	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@H]1C2	2255668842	FRSGUMZUUCTKNW-KBVBSXBZSA-N	248.091	-0.387	50	10	BBGE	
O=C(NC1CC(c2ncc[nH]2)C1)[C@@H]1C[C@H]1B(O)O	2255770112	OICLXVTYAXEHHK-GEPGNKONSA-N	249.079	-0.365	50	10	BBGE	
C#CCCC(=O)N[C@@H](C)c1cccc(B(O)O)c1	2256636678	OAEWHEYKGHRCDG-JTQLQIEISA-N	245.087	-0.043	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](O)C1	2297203107	BBGXAVYNFYTCHS-PRJMDXOYSA-N	221.684	-0.042	50	10	BBGE	
O=C(N[C@H]1CCNC2(CC2)C1)[C@@H]1C[C@H]1B(O)O	2298370126	PKTJFGBNEFAVHG-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@H]1CO	2298376879	UXNLSFRXFJXLFC-AXTSPUMRSA-N	241.096	-0.674	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2CCOCC(=O)NN	2302211032	KCHSJSAHNTZZTF-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
CC[C@@](C)(Cn1cnc([N+](=O)[O-])n1)C(=O)NN	2303430582	CWAMAHRUWIKRHN-QMMMGPOBSA-N	242.239	-0.408	50	10	BBGE	
C[C@@]1(F)CCN(c2cc(B(O)O)c(F)cn2)C1	2303834819	MLFKSWRYHJBRHU-SNVBAGLBSA-N	242.034	-0.161	50	10	BBGE	
C#Cc1ncccc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2305015106	MHWMEQKEWKUZFC-SFYZADRCSA-N	230.032	-0.136	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1cc(B(O)O)co1	2307181356	WDHJBKAPCKGSBC-WRXNHJIOSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C=C[C@@H]1C2	2312848243	ZJFWNWXTUCSWTR-RKDXNWHRSA-N	247.059	-0.250	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCCOCC1	2317150326	DNQRXWCPVAYTMM-UHFFFAOYSA-N	246.075	-0.535	50	10	BBGE	
C[C@H](CCO)CNc1ccc(B(O)O)cc1C#N	2317152068	XXWBTKZXUFIAAO-SECBINFHSA-N	248.091	-0.332	50	10	BBGE	
OB(O)c1cc(NCc2ncccn2)ncc1F	2320795544	VVWORXWECAKFSO-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
N[C@@H]1CCN(CC(=O)NNc2ccccn2)C1	50243469	IICUPPUEDYCPSD-SECBINFHSA-N	235.291	-0.442	50	10	BBGE	
NC(=S)NNC(=O)[C@@H](N)Cc1ccccc1	56687941	WZZMYJOFEWJVSZ-QMMMGPOBSA-N	238.316	-0.579	50	10	BBGE	
Cn1ccnc(S(=O)(=O)CCCl)c1=O	61752332	OANOPEXZTMFGFY-UHFFFAOYSA-N	236.680	-0.207	50	10	BBGE	
CC(C)(CN(CC#N)CC#N)C(=O)NN	86597643	OUNIRUFHRANFOQ-UHFFFAOYSA-N	209.253	-0.648	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)NNC(N)=S	86762409	WNSRCMXZVSKOMR-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)NNC(N)=S	125183253	YPNLXPXZJXLHBK-UHNVWZDZSA-N	203.267	-0.724	50	10	BBGE	
CCC[C@@H](OCCOCCOC)C(=O)NN	125984895	NOSYFGMGHTUIKC-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
O=c1cc[nH]c(=O)n1CCBr	143791874	BPDKTMSBFXZLEU-UHFFFAOYSA-N	219.038	-0.069	50	10	BBGE	
CCN1CC(=O)N(C[C@@H](O)CCl)CC1=O	163077355	JTGKMNWALZBEKK-ZETCQYMHSA-N	234.683	-0.723	50	10	BBGE	
OB(O)c1cnc2c(c1)[nH]c1cccnc12	230528816	NFGSASMKLHVINS-UHFFFAOYSA-N	213.005	-0.209	50	10	BBGE	
COC[C@H](C(=O)NN)n1cccc1C#N	232421165	XEZSISYXAQMYGW-MRVPVSSYSA-N	208.221	-0.463	50	10	BBGE	
NC(=O)[C@@H]1COCCN1c1nnc(CCl)o1	236194666	CHWBECIHWQRLRX-YFKPBYRVSA-N	246.654	-0.501	50	10	BBGE	
CCS(=O)(=O)CC1=C(C#N)C=NS1(=O)=O	260175266	NZIXGTJJSQZDKM-UHFFFAOYSA-N	248.285	-0.387	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C)(O)C1	306621997	AEKCJABJOMPPQK-ZETCQYMHSA-N	201.270	-0.933	50	10	BBGE	
CN(CC(=O)NN)[C@H]1COC(C)(C)C1	306622392	WJVKOYMKNUXJGQ-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
O[C@H]1CO[C@H](F)[C@H](Br)[C@H]1O	307060646	JOCHESIJDDGQGG-QTBDOELSSA-N	215.018	-0.203	50	10	BBGE	
C=CC[S@](=O)C[C@@H]1NC(=O)OC1=O	308101083	DTRNEULWCYIUDQ-QSGQRGAGSA-N	203.219	-0.444	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H](C)Cl	379394785	YDIYWCCHEVPLTE-LURJTMIESA-N	202.641	-0.521	50	10	BBGE	
OB(O)c1ccc(OCCN2C[C@H]3C[C@@H]3C2)cc1	380344012	FSZYZSHFXSYWQW-GHMZBOCLSA-N	247.103	-0.303	50	10	BBGE	
N=c1ncc(C=NNC(=O)NC2CC2)c[nH]1	381133659	LHNJYSQSIIZRHT-UHFFFAOYSA-N	220.236	-0.315	50	10	BBGE	
C[C@H](CN1CCN2CC[C@H]1C2)C(=O)NN	381783828	LUSDPGXYRRBZTD-BDAKNGLRSA-N	212.297	-0.998	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCSC[C@H]1CO	388088032	CODHNUPPDBOILK-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)C[S@@](C)=O	388793989	MQIDYLUJEOEYOL-VPROBKIXSA-N	206.267	-0.832	50	10	BBGE	
C[C@@]1(CN2CC(=O)OC(=O)C2)CCOC1	397354570	HOROIKYDZNLSOF-JTQLQIEISA-N	213.233	-0.202	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1cnn[nH]1	493169601	VQIGZXDAJDLZRE-ONEGZZNKSA-N	225.208	-0.884	50	10	BBGE	
C[C@@H]1NN(C)[C@@H]2[C@H](Br)NN[C@H]12	605681872	CBAOCGNEPKVESI-BGPJRJDNSA-N	221.102	-0.609	50	10	BBGE	
Br[C@@H]1CN[C@@H]2[C@@H]3CCN[C@H]3NCN21	605699483	NXIYUODFZNXMKV-KVPKETBZSA-N	247.140	-0.565	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CC(=O)NN	686190977	JXLUHOCHCHEODZ-KDXUFGMBSA-N	213.281	-0.790	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]1(C)CCOC1	687519717	OVLHXURBQZUWFC-PSASIEDQSA-N	215.297	-0.277	50	10	BBGE	
CN1C[C@@H](CNC(=O)NC(=O)CCl)CC1=O	687825306	MNKQJIUCEDZGHQ-ZCFIWIBFSA-N	247.682	-0.471	50	10	BBGE	
Cl[C@@H]1COC[C@H]1NC[C@@H]1COCCO1	690764752	KMOXIODMENJBJY-IWSPIJDZSA-N	221.684	-0.002	50	10	BBGE	
CN1CC[C@@H](COc2ccccc2B(O)O)C1	691570707	CEAOTJMADVGBDR-SNVBAGLBSA-N	235.092	-0.303	50	10	BBGE	
OB(O)c1ccn(COCC(F)(F)F)n1	694231087	ZDMKBHHCNNZOQV-UHFFFAOYSA-N	223.947	-0.901	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H]1C1CC1	698369491	RVCKSTVHUIRMRQ-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]([C@@H](C)CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703476337	HZCLAZLYGFSRKJ-JBDRJPRFSA-N	227.260	-0.080	50	10	BBGE	
CCO[C@H](CO[C@H](COC)C(=O)NN)C1CC1	703564709	YTCYPFGBIDQYET-NXEZZACHSA-N	246.307	-0.177	50	10	BBGE	
CN1C[C@H]2CN(CCCC(=O)NN)C[C@H]2C1	706298921	HJMIBAYFGAJXSE-AOOOYVTPSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)CCl	708492212	NLDSBXIINDQMFT-HTQZYQBOSA-N	243.756	-0.049	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]1(C)CO	723000311	OEUIIOLXJMHUAB-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CCC2)nc1O	827216353	RWBDTLWNYFUJSA-UHFFFAOYSA-N	238.247	-0.313	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)[C@@H]1COCCO1	857318170	XGNMFFBMMWKKOG-VIFPVBQESA-N	241.222	-0.499	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)Cc1ccccn1	900580015	SHQFSPLFOUEZQM-JYBNPQIESA-N	249.270	-0.292	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)c1ccnnc1	1162154275	HCNKODFMBMPNPL-ZCFIWIBFSA-N	240.288	-0.011	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)C1=COCCC1	1299501759	LGUSSYAUTKFQRJ-UHFFFAOYSA-N	248.242	-0.068	50	10	BBGE	
Cc1ccc(O)c(C=NNC(=O)C(N)=O)n1	1318260853	AUASYNQSHQTCFE-UHFFFAOYSA-N	222.204	-0.969	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)no1	1438034061	DCJSSOKMIIAAMD-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CNC(=O)NNC(=O)CCc1nc(C)no1	1442143736	QJSTXOQNFIOYKO-UHFFFAOYSA-N	227.224	-0.729	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N2CC=C(N)N2)cn1	1558400372	BGSSIIIRTRDAKP-WTKPLQERSA-N	244.258	-0.526	50	10	BBGE	
C=CCCn1cc(C(=O)NNc2nc[nH]n2)nn1	1638772134	IZZNMYZOOWWCLK-UHFFFAOYSA-N	248.250	-0.271	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1ccnc(O)c1	1642167869	PNECSKUGPGKHAY-UHFFFAOYSA-N	240.288	-0.132	50	10	BBGE	
C[C@@H](C(=O)NNc1cnnn1C)n1cncn1	1648816416	TVBAOOJIMNQSOH-LURJTMIESA-N	236.239	-0.889	50	10	BBGE	
N#C/C=C/Cn1nc2cnccn2c1=O	1651918054	WIVPZCDRZODLSQ-OWOJBTEDSA-N	201.189	-0.029	50	10	BBGE	
CN(C)NC(=O)[C@@]1(N)C[C@H](O)C1(C)C	1877219962	WXKBBRQETFCTSA-RCOVLWMOSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880022360	BLWQVQSQRZKGTC-NKWVEPMBSA-N	247.295	-0.407	50	10	BBGE	
C[C@@H](CCCl)C(=O)NC[C@H](O)CO	1882474704	IRCVWNXGALIPTK-BQBZGAKWSA-N	209.673	-0.279	50	10	BBGE	
NCC1(O)CN(C(=O)[C@H]2C[C@H]2Br)C1	1883537702	KTAZKCCLYRVGSX-NTSWFWBYSA-N	249.108	-0.698	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(F)(C#N)C1	1888381087	GCLBSAKEORLAEJ-LURJTMIESA-N	200.217	-0.698	50	10	BBGE	
N[C@]1(C(=O)NC[C@H]2C[C@@H]2Cl)C[C@H](O)C1	1893109124	XHVHNKLYPJSCHH-JAKMQLQISA-N	218.684	-0.418	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCO[C@H](CO)C1	1893470936	YDHTVKQPQRHFIT-BIIVOSGPSA-N	219.668	-0.167	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@@H](C)C[C@H]2C1	1898082126	UJWSERJQVYGNNL-AATLWQCWSA-N	227.308	-0.421	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NN(C)S(C)(=O)=O)CN1	1901340334	CCOKQLJBVFWSJN-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@H]2C[C@H]21)B(O)O	1901612026	WYLNNKPWJFFCHC-WDEREUQCSA-N	224.113	-0.277	50	10	BBGE	
C=CCNC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	1902504912	BEFFRBDSLDJFGI-RKDXNWHRSA-N	226.085	-0.774	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2[C@H]3CCOC[C@H]32)C1	1902512534	MGOUUOHUHZGDGZ-GWOFURMSSA-N	225.097	-0.182	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@H](F)[C@H]2CCOC2)C1	1902546428	OCOYSXOOSKRDQF-AEJSXWLSSA-N	231.076	-0.090	50	10	BBGE	
CN(C)CCC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1907615248	RKHMSXQZRZOIFA-WDEREUQCSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC(O)CC2)C1	1908363228	BFJHRMWPABOZHB-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(CN=S1(=O)CCOCC1)C(=O)NN	1913861143	HXPHFXRGRVCQSN-UHFFFAOYSA-N	249.336	-0.499	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1[C@H]2COC[C@H]21	1923407983	OTWLSKVLESUQEQ-SCDXWVJYSA-N	238.165	-0.412	50	10	BBGE	
CON(C[C@H]1C[C@H]1C(=O)NN)C(C)C	1928662755	NOPGYODSOYIYAL-HTQZYQBOSA-N	201.270	-0.116	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C(CO)[C@@H]2C1	1929055323	SSZFYHQZQVTSDT-PHDIDXHHSA-N	225.697	-0.317	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C(F)(F)C12CC2	1931751498	PJPKRUNDRRYEBP-VKHMYHEASA-N	221.232	-0.104	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN2CC[C@H]1C2	1935941109	IATGSAQVWJUWDP-ZETCQYMHSA-N	234.250	-0.999	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1936235517	IVDMVYIJMHJHPI-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CCCCOCCOCCOCC(=O)NN	1936532346	IJYAAVVYHRICEA-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
CON(C)CCOc1ccc(B(O)O)cc1	1937141691	WRASEOOHXKNHMD-UHFFFAOYSA-N	225.053	-0.762	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1938053621	SELFOSRQPOFQLQ-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941085930	GHLDRKKHGIMXFD-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H](CO)C1	1941089653	WYOVVHUZWANEQZ-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CCN[C@H]1CCCN(CC(=O)NNC(C)=O)C1	1947505708	NGRAIZJXCFBQKO-JTQLQIEISA-N	242.323	-0.772	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccc2nn[nH]c2c1	1952811120	AHYFKMZBHDAJIX-IUCAKERBSA-N	203.205	-0.158	50	10	BBGE	
NNC(=O)N1CCS[C@H]2COCC[C@@H]21	1956782314	PZBMTXXVBINMFT-BQBZGAKWSA-N	217.294	-0.224	50	10	BBGE	
O=C1C[C@H]2CCN(C[C@H](O)CCl)C[C@H]2N1	1960159931	SIUDEQWMIBIFDY-IWSPIJDZSA-N	232.711	-0.204	50	10	BBGE	
OB(O)c1cccnc1OCCC1CC1	1961714608	YDIKMBBYZUILRG-UHFFFAOYSA-N	207.038	-0.060	50	10	BBGE	
Cn1cnc(C(=O)N2CCC(B(O)O)CC2)c1	1964501636	XYFBBUOWMWUEMR-UHFFFAOYSA-N	237.068	-0.501	50	10	BBGE	
CCCCCn1cc(B(O)O)ccc1=O	1975100968	LLQIMOMOBIYFCX-UHFFFAOYSA-N	209.054	-0.282	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(F)(F)C[C@H]1CO	1976196679	DSQOIRLYVDESKS-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCC(=O)N1CCOCC1	1976903682	MKXKQPZGMCHQCT-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
CN(CCCC(F)F)CCOCC(=O)NN	1979437761	WGNWJBCNSOAGCV-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CO[C@@H]1C(=O)NC(=O)N(C2CC(Cl)C2)C1=O	1983210760	CTNCVVUATJBPSC-JMMWHDCWSA-N	246.650	-0.150	50	10	BBGE	
CO[C@H](C)COc1cc(C)c(B(O)O)cn1	1986052274	SDSLUZFKKQYFJD-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
N=c1nc2ccc(=NC[C@@H]3C[C@H]3Cl)[nH]n2[nH]1	1991439542	STOIUUOQEGZAMP-NTSWFWBYSA-N	238.682	-0.002	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@]12CC2(F)F	1992139383	UDBAKQDTCBWYFM-HTRCEHHLSA-N	228.991	-0.837	50	10	BBGE	
CC1(C)[C@@H](O)CN1c1nc(CCl)nc(=N)[nH]1	1993476351	PLGDLTYPIVGYAC-YFKPBYRVSA-N	243.698	-0.018	50	10	BBGE	
C[C@H]1CCC[C@@H]1N(C)c1ncc(B(O)O)cn1	2004915938	FWGNOOSUNVRBBP-WPRPVWTQSA-N	235.096	-0.219	50	10	BBGE	
CC(C)c1ncn(-c2ncccc2B(O)O)n1	2005004757	JEXANXPZZUBWDU-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(F)(CO)C2)o1	2005080512	VWNLIPYMITWLPX-UHFFFAOYSA-N	243.238	-0.601	50	10	BBGE	
CC(C)(CN1CCC2(CC(O)C2)C1)C(=O)NN	2005807393	LEEAFAHSLFFKQN-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
N#Cc1cncc(OC[C@H]2C[C@H]2C(=O)NN)c1	2007700677	KZEYAXAUVDMODZ-PSASIEDQSA-N	232.243	-0.042	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCOC[C@H]1C	2019208684	HDNVVLFOQVOUTA-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
COCC(COC)CN(C)C[C@@H](C)C(=O)NN	2022019262	DHJJZALBCSXGGS-SECBINFHSA-N	247.339	-0.547	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)n1	2052624156	DLWYEMVYPCAYDD-CDLYGTGVSA-N	245.091	-0.691	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)n1	2053735996	ONLBBVOIUGPWQA-KBIXCLLPSA-N	245.091	-0.691	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@H]3C[C@H]3CO2)c1	2058907727	VUIDIKPPJCDZIP-PTRXPTGYSA-N	249.075	-0.435	50	10	BBGE	
CCOc1cc(C)c(C#N)cc1B(O)O	2060203084	UPRWSZFWAZFFGE-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1cc([N+](=O)[O-])c(C#N)cc1B(O)O	2060285135	WCKYVHLGOXJWJX-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COCC1(NC(=O)c2ccccc2B(O)O)CC1	2079008199	GCHKTGLUSAIDPH-UHFFFAOYSA-N	249.075	-0.725	50	10	BBGE	
C#CCCCN(C)C(=O)c1cccc(B(O)O)c1	2079009504	IOQJEBPOSVOZOP-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
OB(O)c1ccc(Cn2cncn2)s1	2209685363	CCBMMROOGLUISI-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1CC[C@H]1C(=O)NN	2211828124	ULNDMOZLXXVTDN-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C[C@@H]3C[C@@H]3C2)nc1	2212285824	MHRGVYDXEKEHHI-SRSLHRDFSA-N	220.037	-0.666	50	10	BBGE	
N#Cc1cccn1-c1ncccc1B(O)O	2212595517	PKPHPGKYANGBJT-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
Cc1cnc(N[C@H]2CCOC2)cc1B(O)O	2212603219	DPLKPFQNNKEPQJ-QMMMGPOBSA-N	222.053	-0.729	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)ccn1	2212610599	LOYKLHCBFMNAKZ-SECBINFHSA-N	222.053	-0.890	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCCC[C@H](O)C1	2215770387	BKTYVGPDUQUDLO-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CCN(CC(=O)NC)C[C@H]1CC[C@@H]1C(=O)NN	2215771667	JKDXBHYAGKFGTA-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C(F)(F)C2)CCC1	2216496502	BXNHNZBYEFUSCX-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
C[C@H](CN)C[C@@H](C)Oc1cc(B(O)O)ccn1	2217189416	CXWLWOSGLTUEKK-DTWKUNHWSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@]12CC2(F)F	2217200450	TXMDSZWABFIBAN-IONNQARKSA-N	240.018	-0.029	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c1	2217201507	QKHVCORKHBFQKD-ASXGKARISA-N	230.076	-0.394	50	10	BBGE	
CO[C@H]1CCC[C@@H]1Nc1ncc(B(O)O)cn1	2217201578	RBBJWVIBPLPFBH-IUCAKERBSA-N	237.068	-0.864	50	10	BBGE	
CC1(C)[C@H]2CN(c3cc(B(O)O)ccn3)C[C@@H]21	2217204222	GXWYXJQKGGKSNK-UWVGGRQHSA-N	232.092	-0.146	50	10	BBGE	
O=C(Nc1ncon1)c1cccc(B(O)O)c1	2217472012	RGFQQFZKRDSKHJ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCC1=O	2220057868	JLAOUQLSDGJUME-JTQLQIEISA-N	247.103	-0.223	50	10	BBGE	
CN(Cc1cn(C)cn1)c1cc(B(O)O)ccn1	2223668151	XFJBADLVXIVJHJ-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1ccc(=NCCC[C@@H]2CCCN2)[nH]c1	2223677788	SPQKDDQIALXZCJ-NSHDSACASA-N	249.123	-0.873	50	10	BBGE	
O=C(NCC1CSC1)[C@@H]1C[C@@H]1B(O)O	2241475009	OVWMHMHRWQDWNC-RQJHMYQMSA-N	215.083	-0.672	50	10	BBGE	
CO[C@H](CCl)CNC(=O)c1cnn[nH]1	2242440515	NZAOBSZPXNGJRX-RXMQYKEDSA-N	218.644	-0.212	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC1(F)CC1	2242855216	JFAZEHHOBZTYME-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2C[C@H]21	2243350141	WDSKZVIHECTFEW-POYBYMJQSA-N	221.021	-0.806	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2243357387	WBKBIQADFLXPJM-MWRVJPDDSA-N	219.049	-0.885	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CCC2)COC1	2243365021	GRQCQOGARVNCBK-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
CC(C)NC(=O)c1ncc(B(O)O)cc1F	2243365813	SNJXQLAJXMDZKW-UHFFFAOYSA-N	226.016	-0.961	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243392795	XGAABFNHAQBXTQ-UYXSQOIJSA-N	227.069	-0.610	50	10	BBGE	
O=C(N[C@H]1COC2CC1C2)C1(B(O)O)CC1	2243407969	DFNIIQNSDYZCBI-RRQHEKLDSA-N	225.053	-0.713	50	10	BBGE	
C[C@@H]1CC(=O)N(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243410563	DHYPAJHXJCDANV-RNFRBKRXSA-N	225.053	-0.223	50	10	BBGE	
C=CCC[C@@H](C)NS(=O)(=O)CC(=C)B(O)O	2243411846	BFLVYISSUYTPFM-SECBINFHSA-N	247.125	-0.171	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1[C@H]2CC[C@H]21)B(O)O	2243412249	JCLKWJAXFPGSAC-BRPSZJMVSA-N	245.109	-0.870	50	10	BBGE	
COC[C@@H](CF)NC(=O)C1CC(B(O)O)C1	2243418064	ZUVRFUCVZUDISI-KAVNDROISA-N	233.048	-0.660	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1sncc1B(O)O	2244146557	DJIYNVCXRIEDFK-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1CCC1	2244205319	IHIBXMPXBSPKEB-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CCc1cnn(C[C@H](C)C(=O)NN)c(=O)c1	2245078336	FLJBXGSRMSUARZ-ZETCQYMHSA-N	224.264	-0.568	50	10	BBGE	
O=C(C#CB(O)O)NCCCc1ccccc1	2247740622	NFTDQHHSQAHWPW-UHFFFAOYSA-N	231.060	-0.249	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2nccn2c1	2247741343	YDIWQVKILSINRI-UHFFFAOYSA-N	229.004	-0.712	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247742254	MOVIQJAISZGPKV-BWZBUEFSSA-N	237.064	-0.266	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@]2(CCOC2)C1	2247743402	CWPCCQNTDVMCED-NSHDSACASA-N	237.064	-0.969	50	10	BBGE	
CCOC1CC2(C1)C[C@H]2NC(=O)C#CB(O)O	2247744696	WSTFDXXFRYDJQE-INWMGODYSA-N	237.064	-0.924	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247750872	PENCRPXYOZNKDR-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC(C)C1	2247752755	VHKVUQQPRLKEEK-UHFFFAOYSA-N	236.080	-0.720	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CO)CCCC1	2247754871	GDUHSQXPHSZLSI-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247796512	AFPVXZXUFSVISF-QEYWKRMJSA-N	240.112	-0.375	50	10	BBGE	
CCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800476	PLNKKDYYECMHIY-ZJUUUORDSA-N	242.128	-0.351	50	10	BBGE	
CC1(C)C[C@H](N)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247803366	ASWNWWPTLJDJOY-DJLDLDEBSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@@]12CCNC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247807430	IAMLPYKHEPCOPK-TURQNECASA-N	238.096	-0.892	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247808601	VNCCVHGCIMWGMW-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
C[C@]1(C(F)(F)F)CCN(C(=O)C#CB(O)O)C1	2247848655	OQSFHFWALFUDRA-QMMMGPOBSA-N	248.997	-0.197	50	10	BBGE	
CC(F)(F)[C@H]1CCCN(C(=O)C#CB(O)O)C1	2247851406	FJMQUCAODBOPMA-QMMMGPOBSA-N	245.034	-0.104	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCC[C@@H](O)C1	2247854903	KICZWTMPKXOSNH-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
C=CCN(C(=O)c1coc(B(O)O)c1)C(C)C	2247872618	WEAMGWFXEHICEF-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
CCON(C)C(=O)c1c(C)cccc1B(O)O	2247873877	NEBNSFCJLBIXPZ-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CN(CC[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2247899693	PLFLQTPSYAJDBD-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(CN)CCC1	2247905281	SYMJYVANAQBHGG-UHFFFAOYSA-N	240.112	-0.421	50	10	BBGE	
NC1CC2(C1)CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247909223	GVFXDYHTPNMPOY-OCAPTIKFSA-N	238.096	-0.811	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)C1CC(B(O)O)C1	2247909235	GZPXQKPJGVHOAO-IDKOKCKLSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](CF)NC(=O)Nc1ccc(B(O)O)cc1	2247972508	HDTKNYQFAWRDPU-SSDOTTSWSA-N	240.043	-0.154	50	10	BBGE	
C#CCC(=O)N1CCc2cc(B(O)O)ccc21	2248395050	GMKQESNGOWUSRR-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
O=C(O)[C@@H](CCF)NC(=O)C1(B(O)O)CCC1	2248588331	BIAOMMXPXFCOCH-ZCFIWIBFSA-N	247.031	-0.688	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cccc(B(O)O)c1	2249306189	ZGHANCIXIXURSK-MRVPVSSYSA-N	239.055	-0.204	50	10	BBGE	
O=C1CCC[C@H](CN2CCC(B(O)O)CC2)N1	2249344579	APDNFIMASGEDDZ-SNVBAGLBSA-N	240.112	-0.406	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1cocc1B(O)O	2249422652	RFLZHVCLQDWYAK-XVKPBYJWSA-N	235.048	-0.512	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCC12CC2	2249428432	AARYCFZTXGEDOL-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2249620340	CPBRKKIUFNEFIB-IGORNWKESA-N	239.080	-0.467	50	10	BBGE	
Nc1cc(F)ccc1C(=O)NCC#CB(O)O	2249925195	UFEUVVXSKCJUGA-UHFFFAOYSA-N	236.011	-0.847	50	10	BBGE	
CC1(OCc2ccc(F)cc2B(O)O)COC1	2250789982	MTPCTOCARUOKBN-UHFFFAOYSA-N	240.039	-0.189	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ccc(B(O)O)o1	2250893075	YDTVHSFDUZUTJU-QMMMGPOBSA-N	237.064	-0.099	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251005538	VXJLDZRSGHIEGT-BMNUFHGDSA-N	241.096	-0.389	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2CCC[C@H]21	2255452560	KQQWLZRRKBCWSC-WCBMZHEXSA-N	249.075	-0.108	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1c(C)cccc1B(O)O	2255510653	YVJNCHJVLGDDTB-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ncccc1B(O)O	2255515387	WZNRGGOENJYMES-VIFPVBQESA-N	246.075	-0.849	50	10	BBGE	
Cc1ccncc1NC(=O)c1n[nH]cc1B(O)O	2255550502	XVVNTDSLQLSNGT-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C[C@@H](c1ccccc1O)N(C)C(=O)C#CB(O)O	2255672170	BVAWSTTUCBTUKU-VIFPVBQESA-N	247.059	-0.073	50	10	BBGE	
CCN(CCC#N)C(=O)c1ccc(B(O)O)cn1	2255718132	UPIVAIZPYRRPPL-UHFFFAOYSA-N	247.063	-0.863	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2255728815	LWCZWFMIFPZALG-QQRDMOCMSA-N	247.059	-0.560	50	10	BBGE	
O=C(NC1CC=CC1)c1c(F)cccc1B(O)O	2255737059	YUMRACUIUBOZAD-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(NCCc1ccoc1)c1occc1B(O)O	2255737219	BGLOKDXIAKXVJO-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	2255785287	SSKSOOPBRMNEAJ-DVJDRGEFSA-N	247.103	-0.182	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1O	2256017678	SSXRWIPBYONIPX-MRVPVSSYSA-N	247.059	-0.834	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NCCCC#N	2257485682	BBRFISVFGZTTEQ-UHFFFAOYSA-N	247.063	-0.897	50	10	BBGE	
Nc1ncccc1NC(=O)c1cocc1B(O)O	2258131587	WGKJMGJJDBJBTN-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369914	ITEMGMJJWQGGJM-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
NC[C@]1(F)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298371351	IZOLPNHHNNQCHC-MTODJDAWSA-N	244.075	-0.815	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@@H]1B(O)O	2298374907	SJMDQJHFLPVMBY-UCKHGQTESA-N	239.080	-0.875	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377462	RTVNCXGCNUMPGM-LZISRMJESA-N	238.096	-0.909	50	10	BBGE	
C#CCCN(C)c1ccc(B(O)O)cc1C#N	2301343808	PGVFYGZLKUDDEZ-UHFFFAOYSA-N	228.060	-0.302	50	10	BBGE	
CC(C)=C(CN(C)[C@H]1CN2CC[C@H]1C2)B(O)O	2301854582	NNZBCTXVELDBJS-JQWIXIFHSA-N	238.140	-0.029	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]1CN2C	2302021246	XRGHAEMKZLBOAR-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2COC[C@H]2C1)C(=O)NN	2303413007	GWUOPSAOYSJUGO-JFGNBEQYSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303834998	PCTDKBCGAAAVFB-WATHFIQWSA-N	240.043	-0.918	50	10	BBGE	
CCc1cnn(CCN2CC[C@@H](B(O)O)C2)c1	2305014812	LSYXBAUTKMQDEO-LLVKDONJSA-N	237.112	-0.006	50	10	BBGE	
C#CCCCOC(=O)Nc1ncccc1B(O)O	2316350774	ZUYJWCSGFKFYSU-UHFFFAOYSA-N	248.047	-0.277	50	10	BBGE	
CC1(C#N)CN(c2ccc(C=O)c(B(O)O)c2)C1	2317307529	BTAJERJMZDNDJR-UHFFFAOYSA-N	244.059	-0.471	50	10	BBGE	
Cc1ncncc1C(=O)N1CC[C@](C)(B(O)O)C1	2319671001	WFUGUMHJMJXJPP-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
Cn1c(=O)[nH]c(N)c(C(=O)CCl)c1=O	1617014	MTFLEBOPKXUJOZ-UHFFFAOYSA-N	217.612	-0.923	50	10	BBGE	
NC(=O)[C@H]1CCCCN1C(=O)NC(=O)CCl	42407359	ZVNVUVSWBXQKPR-ZCFIWIBFSA-N	247.682	-0.199	50	10	BBGE	
COC[C@H](C)OC[C@@H]1CC[C@H](C(=O)NN)O1	69758191	XTIWTFLPUBBWIZ-XHNCKOQMSA-N	232.280	-0.425	50	10	BBGE	
C[C@@H](O)CN(C)Cc1ccoc1C(=O)NN	82468149	OAAFZDRNFCCQNV-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598439	PHHATSFRLVCSQH-VTBDLZGYSA-N	213.281	-0.648	50	10	BBGE	
CC1=C([C@H](O)CC(=O)O)C(=O)OC1=O	135766209	CFLFWEDIELSWOZ-SCSAIBSYSA-N	200.146	-0.778	50	10	BBGE	
CSCC[C@@H](NC(=O)NN(C)C)C(=O)O	149062791	LUPGQOCEAHMYMC-ZCFIWIBFSA-N	235.309	-0.032	50	10	BBGE	
C[C@@H]1SCCN(CC(=O)NN)[C@@H]1C	156895254	WYFBVYCWUAYKSN-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
CC(C)N/C=C(/C#N)C(=O)N(CCO)CCO	217115306	ZRLMXQUGOXMUJI-NTMALXAHSA-N	241.291	-0.795	50	10	BBGE	
C[C@H](N)C(=O)N[C@@H](CCl)P(=O)(O)O	225880416	MZXKEICQABDUOP-IUYQGCFVSA-N	230.588	-0.808	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1N(C)C	226121714	VBCBKHRFVKJVEM-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
CC[C@H](N)C(=O)NNc1nccc(OC)n1	236924945	FHRRHLSAZJFMMS-LURJTMIESA-N	225.252	-0.334	50	10	BBGE	
OB(O)c1ccnc(O)c1C(F)(F)F	238630212	QIXUGGQUCSEHIN-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@](C)(O)C1	253083932	YHYXDAUEADLJQK-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
CNNC(=O)[C@H](N)c1ccccc1OC	259085967	OQTHRQKGZZKSRB-SECBINFHSA-N	209.249	-0.054	50	10	BBGE	
CCC(=O)N1CSC[C@@H]1C(=O)NNC(C)=O	263930237	CIZCWEWECCTDGX-SSDOTTSWSA-N	245.304	-0.535	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)CCC(=O)NN)C1	300044417	BZDWPFOTPZUPRX-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1CC[C@H](O)C(C)(C)C1)C(=O)NN	304490348	CUCAULSTMOOIBV-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H]1CS2)C(=O)NN	306255312	VIGPBTYPTSUYND-BIIVOSGPSA-N	215.322	-0.198	50	10	BBGE	
Cn1ncnc1CN[C@@H]1COC[C@@H]1Cl	306313654	VDTRGNJBQCFONZ-NKWVEPMBSA-N	216.672	-0.089	50	10	BBGE	
NNc1ccc(C(F)F)cc1B(O)O	307559876	PBAYJRNQYYWNMU-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
C[C@H]1CN(C(=O)CCl)CCS1(=O)=O	307674984	DFUTUSBOFZIFIP-LURJTMIESA-N	225.697	-0.129	50	10	BBGE	
Cn1cc(C(=O)NCCOCCCl)nn1	308853034	NFEJFESYJPFALQ-UHFFFAOYSA-N	232.671	-0.200	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCN(C)C1	308900958	KEPNVHGSCUJYSU-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CNC(=O)C[C@@H](C)NC(=O)NC(=O)CCCl	322953513	SGQTWQYQEZCVIQ-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1cn(C)nn1	389828599	VHHYIRCFPUUHCH-RXMQYKEDSA-N	245.670	-0.232	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCNC(=O)CC1	395632731	OFAYNVONZKHNLD-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
Nc1csc2cc(C=O)cc(B(O)O)c12	396248635	FMKCVWVCKXWUIC-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1c(B(O)O)cc(O)c2sccc12	396388615	UNNNJEGJZWZYEG-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCC[S@](=O)Nc1cccc(B(O)O)n1	404893828	DXEACOPWUFPOLH-HNNXBMFYSA-N	228.082	-0.753	50	10	BBGE	
O=C(CCl)N1CCN2C[C@@H](O)C[C@@H]2C1	405633461	ASMKJDGFSQQXEM-SFYZADRCSA-N	218.684	-0.497	50	10	BBGE	
C[C@H](O)C[N+]1=C=C([C@H](C)Br)NN1	642832530	MQGOWQNWKWMYRI-WDSKDSINSA-N	235.105	-0.261	50	10	BBGE	
C[C@H]1[C@H](O)C[C@H]2CC[C@H]1N2CC(=O)NN	686190975	JXLUHOCHCHEODZ-FNCVBFRFSA-N	213.281	-0.790	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258186	BUFGUAYQXOLKRQ-VGMNWLOBSA-N	212.297	-0.857	50	10	BBGE	
N#CC1(O)CCN([C@H]2CCS(=O)(=O)C2)CC1	687808407	UPGWLXRRJQQGNH-VIFPVBQESA-N	244.316	-0.476	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@]12COC[C@@H]1C2	689167373	XADXDVSQRNAYCX-NYNCVSEMSA-N	247.678	-0.081	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@@H](C(=O)NN)C(C)C	689810313	KKJXRJCDEBKJBZ-MWLCHTKSSA-N	247.339	-0.670	50	10	BBGE	
CCO[C@@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	689954137	OPZCMJNCFPCRIU-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
CN1CC[C@H](COc2ccccc2B(O)O)C1	691570706	CEAOTJMADVGBDR-JTQLQIEISA-N	235.092	-0.303	50	10	BBGE	
N#CC1(O)CCN(C[C@]2(CO)CCOC2)CC1	692084308	FRJFTXMRNWHPDE-NSHDSACASA-N	240.303	-0.264	50	10	BBGE	
CC(C)N(C[C@H](C)O)[C@@H](C)CC(=O)NN	692171103	ANRYBAWZOPYNFQ-IUCAKERBSA-N	217.313	-0.154	50	10	BBGE	
NC(=O)NNC(=O)COc1cccc(F)c1	700877569	UKXAQDZHRHQTIU-UHFFFAOYSA-N	227.195	-0.096	50	10	BBGE	
CCOC(=O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703438866	LCTCTVOIBILENP-CSMHCCOUSA-N	241.243	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCC[C@H]1O	708091617	ACNWKOFOBOIONM-SGIHWFKDSA-N	229.324	-0.154	50	10	BBGE	
CCn1cc(CN(C)CC(=O)NN)c(C)n1	716411589	AAJNJIAOTVZLCN-UHFFFAOYSA-N	225.296	-0.367	50	10	BBGE	
Cc1coc(C(=O)Nc2ccnc(B(O)O)c2)c1	718556781	DSDYMIWIXVMGEK-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)CCCC(=O)NN	724144179	ZPPIWJNAZYPWDJ-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CNC(=O)[C@H]1[CH]SC=C1	725576006	LFZOYJXKLMYGDS-RXMQYKEDSA-N	200.243	-0.869	50	10	BBGE	
CC(=NNC(=O)[C@H]1COCCO1)[C@@H]1CCOC1	745208356	OICOKVFXQHDACH-NXEZZACHSA-N	242.275	-0.070	50	10	BBGE	
O=C(NNC1=N[C@H]2C=C[C@H]1C2)[C@H]1COCCO1	745210978	KLTHJKNJXLFOOT-XHNCKOQMSA-N	237.259	-0.621	50	10	BBGE	
Cn1cc(C(=O)N(N)C2CCOCC2)cn1	757131259	GMMJNIOWGLTMEO-UHFFFAOYSA-N	224.264	-0.085	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)N[C@@H]1CCOC1	824793752	DCZRJNUGMOCARX-HTQZYQBOSA-N	243.263	-0.715	50	10	BBGE	
CN1C(=O)C[C@@H](NCCCl)NC1=O	953055355	DYJNSONKJVNTOA-YFKPBYRVSA-N	205.645	-0.287	50	10	BBGE	
CNC(=O)CCNNC(=O)c1ccncc1	1088680149	FFUFWXOLWZVOQN-UHFFFAOYSA-N	222.248	-0.548	50	10	BBGE	
Cc1nocc1C=NNC(=O)C(=O)NC1CC1	1347625773	AQKCDYCKLRFZCR-UHFFFAOYSA-N	236.231	-0.288	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC23CC3)cn1	1532158324	UMFCMLGDRSLFSJ-MRVPVSSYSA-N	234.259	-0.019	50	10	BBGE	
N#Cc1cccc(NNC(=O)[C@@H]2CC(=O)N2)c1	1557418789	VDRGJPGHQLWSOA-VIFPVBQESA-N	230.227	-0.110	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)N(C)C)on1	1597966938	YEARSASMQQZQHP-UHFFFAOYSA-N	226.236	-0.172	50	10	BBGE	
CC(=O)NNC(=O)c1cncc2nc[nH]c12	1624652131	SYDLJZRHYIBCAY-UHFFFAOYSA-N	219.204	-0.261	50	10	BBGE	
O=C(CO)NC[C@@H]1C[C@H]1Br	1877366554	UMOFDGMPHRCOIP-CRCLSJGQSA-N	208.055	-0.122	50	10	BBGE	
CNNC(=O)[C@H](O)CNC(=O)OC(C)(C)C	1879957563	DUEJCANNILPFMO-ZCFIWIBFSA-N	233.268	-0.877	50	10	BBGE	
NNC(=O)NC[C@H]1C[C@H]1Br	1880107810	PUDINEIYHMKWHC-QWWZWVQMSA-N	208.059	-0.057	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1[C@@H]2CCO[C@H]21	1880578308	REVSUBZUGSDUNY-KVQBGUIXSA-N	211.670	-0.111	50	10	BBGE	
COCCOCCCN(C)C(=O)NN	1886729148	VXLUIFWTSRSSOD-UHFFFAOYSA-N	205.258	-0.445	50	10	BBGE	
C[C@@H](CO[C@H](C)CC(=O)NN)N(C)C	1888051417	XSGLAYICROWIAY-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
NCCNCCS(=O)(=O)C[C@@H]1C[C@H]1Cl	1893100222	UDMRSVNLWSWHPN-JGVFFNPUSA-N	240.756	-0.423	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)[C@@H]1C1CC1	1897039194	RYHGKYDNSYTAEO-MWLCHTKSSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[C@H](C)C1n1cc(B(O)O)cnc1=O	1901181869	UQDFDOJFMNKOQS-BQBZGAKWSA-N	222.053	-0.860	50	10	BBGE	
CC[C@H](C#N)C(=O)NN(C)S(=O)(=O)C1CC1	1901342647	ORSMIJKPVZWZFN-SSDOTTSWSA-N	245.304	-0.009	50	10	BBGE	
CN(NC(=O)[C@]12C[C@H](CCN1)C2)S(C)(=O)=O	1901377508	PEMNAVOJFAVMFI-OTSSQURYSA-N	247.320	-0.949	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@](C)(O)C1	1901757105	NXMHYTCBGLPHSS-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CF)N(C)c1cc(B(O)O)c(F)cn1	1903010803	TUWLVZLCNQBVCY-ZCFIWIBFSA-N	230.023	-0.305	50	10	BBGE	
COC[C@H](N=S1(=O)CCCCC1)C(=O)NN	1913852727	GEVWDXBMTCNLJK-QMMMGPOBSA-N	249.336	-0.357	50	10	BBGE	
CN(CCF)Cc1ccc(F)cc1B(O)O	1917268105	IPNWMIKKPOIEDU-UHFFFAOYSA-N	229.035	-0.093	50	10	BBGE	
CN(CCOCC(=O)NN)CC(C)(C)C	1928182704	FNGUHPYIHWWZDV-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)c2cnn[nH]2)C1	1928753416	PXCADSCIWJXMDV-IYSWYEEDSA-N	229.671	-0.544	50	10	BBGE	
CN(C)NC(=O)[C@H](N)C1CC(F)(F)C1	1932328503	CMBDWZHOFWTWEG-ZCFIWIBFSA-N	207.224	-0.048	50	10	BBGE	
C[C@H](CN1CC[C@H]2C[C@H]1CO2)C(=O)NN	1932589333	NZTPJBOJBXGWNG-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C)(CO)C1	1935359261	SRWSLURPVFMPMW-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H](CO)C2CC2)[nH]1	1937854577	MFFBTHLZJIAJIF-ZCFIWIBFSA-N	243.698	-0.372	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1938245968	CHLJJWOPDCVURI-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941070969	DIUMWNCGJVTORR-ZDCRXTMVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1	1941079628	QDLAJEGHFMUSHJ-UNQZSWDGSA-N	239.319	-0.685	50	10	BBGE	
CN(Cc1ccn(C)n1)C[C@@H]1C[C@H]1C(=O)NN	1941088809	RZVNXQFSEOIFHO-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943083696	PDLZQQOKYPSOAD-CHWFTXMASA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)CCN1C[C@@]23CCC[C@]2(COC3)C1	1947540520	MZBFMBKMRYKACR-VXGBXAGGSA-N	239.319	-0.131	50	10	BBGE	
COC(=O)CN(C)C[C@H](O)CBr	1953617728	LFLVQMQPNHDRQS-ZCFIWIBFSA-N	240.097	-0.153	50	10	BBGE	
O=C(CCBr)N1CC(O)(CO)C1	1953701581	VZRPYPWHEKRSHG-UHFFFAOYSA-N	238.081	-0.663	50	10	BBGE	
O=C(O)[C@]1(C[C@H](O)CCl)C[C@H](O)CN1	1956249928	BKIKFFQCTMEIER-HAFWLYHUSA-N	223.656	-0.846	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)CC[C@@H]1CCO	1956957633	QYBIIAJPBUPSHQ-HTQZYQBOSA-N	201.270	-0.090	50	10	BBGE	
Cc1cn(-c2nc(B(O)O)cs2)cn1	1956966635	YBERUWJEEJJQKE-UHFFFAOYSA-N	209.039	-0.683	50	10	BBGE	
C[C@H]1CCOCC[C@H]1N(C)CC(=O)NN	1960265670	HWESLEXYAFQQGM-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)C[C@H](C)Cl	1962393743	QWUHCHSIZYKBNN-CBAPKCEASA-N	239.699	-0.510	50	10	BBGE	
CNC(=O)C1(NC(=O)NC(=O)[C@@H](C)Cl)CC1	1976520617	CRYCXSJNZXKAEQ-RXMQYKEDSA-N	247.682	-0.282	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]1c1ncon1	1976762013	WOMKMHDAFSQQHV-BQBZGAKWSA-N	225.252	-0.415	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	1984193530	UWROUZYIIUNSHO-XKNYDFJKSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC[C@H]2O)C1	1984543664	VVWSQXZNDFFKOL-IWSPIJDZSA-N	225.292	-0.931	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1CNCCCO1	1991650954	GGYOPRSICCFNAX-MRVPVSSYSA-N	246.694	-0.197	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCNC[C@@H]1CO	1991652865	SJNOBFUDTUZOGT-SFYZADRCSA-N	246.694	-0.605	50	10	BBGE	
CN(C)c1ccc(CNC(=O)C(=O)NN)cc1	1997772792	BVPYISDKVUQGRK-UHFFFAOYSA-N	236.275	-0.641	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)N[C@@H](CB(O)O)C(=O)O)C[C@@H]12	1998196717	PUMBMXBIMQAGJB-NUMRIWBASA-N	241.052	-0.925	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@H](C)C#N)C1CC1	2003766414	YMACZNBDIGMFLY-SCZZXKLOSA-N	240.307	-0.385	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CCC#N)CC1	2003827783	DJFFIALMTNKROH-JTQLQIEISA-N	239.323	-0.714	50	10	BBGE	
CO[C@H](C(=O)N1CC=C(C#N)CC1)C1CNC1	2004777136	RWEQJALPMNWJBU-NSHDSACASA-N	235.287	-0.097	50	10	BBGE	
CCC[C@@H](C)n1cnc2c(B(O)O)ncnc21	2007065723	VXWJUBNFXNCLBU-SSDOTTSWSA-N	234.068	-0.133	50	10	BBGE	
COCC1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010834466	CWHOMVUHJJZOPO-MWLCHTKSSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)[C@H]1C(C)C	2011337005	RDOWHPXZWAYAGK-GXSJLCMTSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CO)C12CC2	2016079254	GAOISDHHBBOSLW-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCOC[C@@H]1C	2019208687	HDNVVLFOQVOUTA-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
Cc1ccnc(C)c1C(=O)NCC#CB(O)O	2021113548	IBTBAQMGONKVFZ-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H](C2)O3)ccc1B(O)O	2021436170	YYXSQURNJWSCAR-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)NCc1cccc(B(O)O)c1	2043287502	RXLKJTCIJAIEIK-GDGBQDQQSA-N	247.103	-0.115	50	10	BBGE	
CN(C)[C@@H]1CCCN(c2ncccc2B(O)O)C1	2052492533	SVMKEYFFHPPEIL-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1cnc(N2CCOCC23CC3)c(B(O)O)c1	2052623210	GJIBBDKBSAHMTH-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
CC[C@@H]1C[C@H]1Cn1cnc2c(B(O)O)ncnc21	2055735370	BPXWQBRQULUFJC-SFYZADRCSA-N	246.079	-0.448	50	10	BBGE	
O=Cc1c(Cl)ccc(F)c1B(O)O	2060103060	OPTZIHRJOQZYAO-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1cc(B(O)O)cnc1C(OC)OC	2081124797	GBUNELPGVBXCPB-UHFFFAOYSA-N	227.025	-0.939	50	10	BBGE	
CN1CC[C@@H](COCC(F)(F)C(=O)NN)C1	2211768965	OZQDWJMXCILWGS-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](OC(F)(F)F)C1	2212369624	AAKKYKOQXHLNEN-RITPCOANSA-N	241.213	-0.025	50	10	BBGE	
CC(C)(CO)Sc1nccc(B(O)O)c1F	2212601159	JONVXKSEXUIUGY-UHFFFAOYSA-N	245.084	-0.237	50	10	BBGE	
CC[C@H](COC)Nc1ccc(B(O)O)cn1	2212602501	FKVPRDBQCMUZAC-SECBINFHSA-N	224.069	-0.402	50	10	BBGE	
CC(C)[C@H](O)CNc1ncccc1B(O)O	2212614753	GYAUWTGKXAUYQU-SECBINFHSA-N	224.069	-0.810	50	10	BBGE	
CCOC[C@@H](C)Oc1cc(B(O)O)c(C)cn1	2217183058	IUWSNGZKFJVJJF-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
Cc1cnc(OC[C@H](N)C2CC2)cc1B(O)O	2217184780	VZHMMEGXNXKJKC-JTQLQIEISA-N	236.080	-0.814	50	10	BBGE	
OB(O)c1ccnc(OCCOC2CC2)c1F	2217189622	GVQXGOOKOOWTIS-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
CC[C@@H](CCCN)Oc1ncc(B(O)O)cn1	2217192970	QUJRKPUKHDXUBM-VIFPVBQESA-N	239.084	-0.947	50	10	BBGE	
Cc1nn(C)c(C)c1Oc1ccc(B(O)O)cn1	2223630963	QPAZOIQKMMDROP-UHFFFAOYSA-N	247.063	-0.096	50	10	BBGE	
CNC[C@@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223649631	ZUKZJRTVWORNHE-JTQLQIEISA-N	249.123	-0.884	50	10	BBGE	
Cc1cnc(N2CCNCC[C@H]2C)cc1B(O)O	2223651406	BZFDUIMVOWPHCG-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CC[C@@H](C1)N2	2223668129	XCNOXWPFZUFERN-ZJUUUORDSA-N	247.107	-0.908	50	10	BBGE	
CSCCCNC(=O)c1coc(B(O)O)c1	2243348168	UTSVZYDWRUYVOW-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
CCS[C@@H]1CCC[C@@H]1NC(=O)C#CB(O)O	2243349156	GYMSGJPIEHWNSS-DTWKUNHWSA-N	241.121	-0.208	50	10	BBGE	
COC[C@@H](C)CCNC(=O)C1(B(O)O)CC1	2243364067	QIOMCRCJWILWBO-QMMMGPOBSA-N	229.085	-0.218	50	10	BBGE	
O=C(c1ccc(Cl)c(B(O)O)c1)N1CCC1	2243367032	MLHYHJSEHGOONP-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1nscc1B(O)O	2243398704	SLZUJQCXCVFBIF-IYSWYEEDSA-N	240.093	-0.697	50	10	BBGE	
CCCNC(=O)c1ncc(B(O)O)cc1F	2243398712	SNKJPFKOYAOFQG-UHFFFAOYSA-N	226.016	-0.960	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NC1(C)CC1	2243414696	GSLRKTDRHFGLIP-UHFFFAOYSA-N	240.093	-0.586	50	10	BBGE	
C[C@H](CO)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243417231	RMNDAQUHPYFBRH-XHNCKOQMSA-N	229.085	-0.674	50	10	BBGE	
C=C(CS(=O)(=O)NC1CC(CC)C1)B(O)O	2243432773	DHWICYFESUEVQW-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2243759607	ZJVRHTOMVPEJBL-WDSKDSINSA-N	229.041	-0.829	50	10	BBGE	
O=C(Nc1csnn1)c1cc(B(O)O)co1	2244205701	MLFGQVPPLQLQJN-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C#CC1(NC(=O)C2(B(O)O)CC2)CC(C)C1	2244948078	AZIHIZBCCWMEHB-UHFFFAOYSA-N	221.065	-0.089	50	10	BBGE	
CC[C@]1(NC(=O)NC(=O)CCl)CCNC1=O	2245166971	KKMIQCWVHKUFER-VIFPVBQESA-N	247.682	-0.280	50	10	BBGE	
CC(C)(CN)Nc1cc(B(O)O)c(Cl)cn1	2245913544	TWDWFMDHOMYENC-UHFFFAOYSA-N	243.503	-0.436	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1csc(B(O)O)c1	2247738521	RKRLSEYODUTOFI-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
O=C(NC1(CCF)CC1)c1ccoc1B(O)O	2247743099	ZABQTWJJGFLVCG-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
CO[C@@H]1CCC[C@H](N(C)C(=O)C#CB(O)O)C1	2247746533	AINJMJOYHWUITR-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(N1CC2(C=CCO2)C1)C1(B(O)O)CCC1	2247755319	PHLSLYFETAWCFT-UHFFFAOYSA-N	237.064	-0.449	50	10	BBGE	
CC[C@@H](C)[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247793487	YBYMLPLBSQGTCY-KYXWUPHJSA-N	243.112	-0.237	50	10	BBGE	
O=C(NCC1(CCO)CC1)[C@H]1C[C@H](B(O)O)C1	2247797602	LICMTPNTWKTEHA-KYZUINATSA-N	241.096	-0.482	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CC1CC1)C1CNC1	2247803611	BUIKTSMMLBMBDK-UWVGGRQHSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1cc(B(O)O)c[nH]1	2247846296	DEJRTYXGEOAKNW-YUMQZZPRSA-N	234.064	-0.777	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)N2)C1(B(O)O)CC1	2247852828	AFFJMQSKDNTGED-JVHMLUBASA-N	238.096	-0.607	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CN1	2247860689	ZWCUXUWQWHWPQU-XFWSIPNHSA-N	240.112	-0.504	50	10	BBGE	
CC(C)(C)ONC(=O)c1ncccc1B(O)O	2247866182	HXYBPLQWPZSCJE-UHFFFAOYSA-N	238.052	-0.779	50	10	BBGE	
C=C1CCN(C(=O)c2ccoc2B(O)O)CC1	2247866976	VWTIFFPPMRONEH-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(NC1CCC1)c1cccc(F)c1B(O)O	2247870358	ISGJLLJBBOMCJU-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
Cc1ccc(C(=O)NCCCF)cc1B(O)O	2247874216	OYCOLSDXIDUHKN-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
C[C@@](O)(CNC(=O)C1(B(O)O)CCC1)C1CC1	2247879805	VZNGOZIMUVHLRS-SNVBAGLBSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1CCNC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247893916	AGFLVXZLBVVYSD-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2CCO[C@H]2C1	2247895760	BNCJSYMORBNSGV-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898749	HKUVDOMVABSFOF-RGOKHQFPSA-N	240.112	-0.600	50	10	BBGE	
NC[C@H]1C[C@](F)(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900047	SLZWLXQYQPOBPT-AZQAYCESSA-N	244.075	-0.958	50	10	BBGE	
O=CNc1ccc(OC(F)(F)F)cc1B(O)O	2248419608	DKUVWLKOFMVQPR-UHFFFAOYSA-N	248.953	-0.167	50	10	BBGE	
CN(CCCC(=O)O)C(=O)C1(B(O)O)CCC1	2248576961	KMZUAHVICVNVRI-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2248577171	KQGZCQHSSMXCGH-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C(C)(C)CC(=O)O	2248579228	VCAHPHAHCNUSGW-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
CCC[C@@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248585598	OGJZKXKWHVMRND-KAVNDROISA-N	243.068	-0.391	50	10	BBGE	
C[C@@]1(C(=O)O)CCCN1C(=O)C1(B(O)O)CC1	2248586793	HBTPIAAULOJEOZ-VIFPVBQESA-N	241.052	-0.541	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CCCOCC1	2250001064	RGFAESZKSXDVPQ-JTQLQIEISA-N	239.080	-0.675	50	10	BBGE	
CON(CC1CC1)c1cc(B(O)O)c(C)cn1	2251011204	YYAOPDRFZHWVEJ-UHFFFAOYSA-N	236.080	-0.152	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1ccc(B(O)O)o1	2255461862	NLUXAKMWWGVLEN-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1ncccc1B(O)O	2255690250	YEAAHAFEMFKWAN-UHFFFAOYSA-N	246.075	-0.566	50	10	BBGE	
Cc1cc(C(=O)N=c2cco[nH]2)ccc1B(O)O	2255692157	TUMBPDVNUZLWNA-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C[C@@]1(NC(=O)c2ccncc2B(O)O)C=CCC1	2255724898	IVJFQPWPAAQUDN-GFCCVEGCSA-N	246.075	-0.400	50	10	BBGE	
CC#CC(=O)N1CCc2cccc(B(O)O)c2C1	2256601525	RDBKXYPGZCZEFP-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
C#CCCN(CCC)C(=O)c1cc(B(O)O)co1	2258127685	LBOAHXGMKDRZLN-UHFFFAOYSA-N	249.075	-0.165	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)c1ncc[nH]1	2258138188	HGVJZLYMSHYWNT-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
N=c1ccc(NC(=O)c2cocc2B(O)O)c[nH]1	2258146231	CRRLMTZXIXRSLM-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
CN(Cc1ccnnc1)C[C@@H]1CC[C@@H]1C(=O)NN	2261219335	FICAMGBCCWQSDN-QWRGUYRKSA-N	249.318	-0.076	50	10	BBGE	
CC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2298375145	ZWCUXUWQWHWPQU-JLIMGVALSA-N	240.112	-0.504	50	10	BBGE	
NC[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298375378	HQEYYCLZZLBRHC-CKEKPRIKSA-N	238.096	-0.953	50	10	BBGE	
C[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N1CCCC1	2298376844	SCEJJHDEHMDOGB-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298377391	PAZFRJHGTSBWNE-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
O=C(N1C[C@H]2CC[C@H]1C[C@H]2O)C1(B(O)O)CC1	2300146414	HBLAXGDSIWPIGT-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
C[C@H](Nc1ccc(C=O)c(B(O)O)c1)[C@@H](C)O	2301450898	KIQKOVZCQODWLH-JGVFFNPUSA-N	237.064	-0.640	50	10	BBGE	
COC1CN(c2ccc(C=O)c(B(O)O)c2)C1	2301453441	VYBNNQLGMDCGCD-UHFFFAOYSA-N	235.048	-0.986	50	10	BBGE	
CC[C@H](COC)Nc1cc(B(O)O)c(F)cn1	2303834188	BDUUGKFYKCGSSU-SSDOTTSWSA-N	242.059	-0.263	50	10	BBGE	
C[C@@H](CN=c1cc(B(O)O)c(F)c[nH]1)C(F)F	2303850750	WCKWTIQRQJXZCA-YFKPBYRVSA-N	248.013	-0.365	50	10	BBGE	
CCN1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	2307751004	AXPINNPQPVZDAM-DTWKUNHWSA-N	240.307	-0.240	50	10	BBGE	
OB(O)c1cncc(OC[C@@H]2C[C@@H]3CC[C@H]2O3)c1	2309296372	ISNGCMAPRLEIFL-PTOFAABTSA-N	249.075	-0.292	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1B(O)O	2312612454	YQOSOJBOCHOABI-IEBDPFPHSA-N	248.091	-0.198	50	10	BBGE	
CNC[C@H](C)COc1ccc(B(O)O)cc1C#N	2317212663	XHCWYENJYMFJSW-VIFPVBQESA-N	248.091	-0.528	50	10	BBGE	
COCCNC(=O)C(C#N)=CNC[C@@H](C)O	2324625762	KYTCFAJUYUEDBT-MRVPVSSYSA-N	227.264	-0.873	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H](C)C(N)=O	35796998	CDYOJUHXRHDVDL-IUYQGCFVSA-N	221.644	-0.687	50	10	BBGE	
NNC(=O)CCCC(=O)NCc1ccncc1	58845303	NIKIKCZGMPLKRG-UHFFFAOYSA-N	236.275	-0.142	50	10	BBGE	
CCSCCn1cc(C(=O)NN)nn1	82472069	ZMHBYIGQQYYBIB-UHFFFAOYSA-N	215.282	-0.365	50	10	BBGE	
Cn1c(N)nnc1SCCCCC(=O)NN	82473347	DMTPEQJZXNDVDU-UHFFFAOYSA-N	244.324	-0.350	50	10	BBGE	
CC(C)(CSC[C@@H](O)CO)C(=O)NN	86661874	QZJOGUYYOUMNFN-LURJTMIESA-N	222.310	-0.911	50	10	BBGE	
CN1CCN(Cc2ccoc2C(=O)NN)CC1	110569213	FZMNVOHMJMXWGM-UHFFFAOYSA-N	238.291	-0.370	50	10	BBGE	
[N-]=[N+]=NC[C@@H]1Cc2cc(B(O)O)ccc2O1	195957798	XVOKLXDTVPYQOE-QMMMGPOBSA-N	219.009	-0.020	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](N)C1	211882618	IYWAXOJIUMDRCW-YUMQZZPRSA-N	200.286	-0.822	50	10	BBGE	
COC[C@@H](Sc1nnc(C)n1C)C(=O)NN	232421471	CSUNQDWCFAXJRZ-ZCFIWIBFSA-N	245.308	-0.779	50	10	BBGE	
CN1CCC(C[C@H](N)C(=O)N(C)N)CC1	258952438	BFEIWWMQQGIIOX-VIFPVBQESA-N	214.313	-0.622	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)c(O)cn1	307559477	NYDFHYFAPIFOCF-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
O=S(=O)(CCl)NC1COCCOC1	307617543	WIWNSONGACHYBI-UHFFFAOYSA-N	229.685	-0.483	50	10	BBGE	
CCOC(=O)N/C=C\C=NNC(N)=O	308337733	LMNSUDVFFJDVED-ZBEYOWGKSA-N	200.198	-0.100	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCCN1CC(=O)NN	379806573	MMIFPZAPPSFNHH-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
Cn1ncc(C(=O)NCCOCCCl)n1	379933875	WSHCEHHZXQXUMI-UHFFFAOYSA-N	232.671	-0.200	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@H](C)CC1	380324169	IDWUSDZVYKSIHW-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CCN(CC)[C@H]1[C@@H]2CN(CCC(=O)NN)C[C@@H]21	384323743	WONYEBQQMGMCSK-IAZYJMLFSA-N	240.351	-0.362	50	10	BBGE	
O=C(CCl)N[C@H]1CCCN(CCO)C1	384806005	ZIIBZIBTZGARNW-QMMMGPOBSA-N	220.700	-0.202	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCCC1(F)F	390947965	GKRGOFLODFOAPF-YFKPBYRVSA-N	221.207	-0.472	50	10	BBGE	
CC(=NNC(N)=O)[C@@H]1COCC[C@]1(C)O	394700639	CXFDDOZNGWTUKH-CBAPKCEASA-N	215.253	-0.182	50	10	BBGE	
COCC1(O)CN([C@@H](C(=O)NN)C(C)(C)C)C1	395812293	LTGBZELNUZXSGT-QMMMGPOBSA-N	245.323	-0.916	50	10	BBGE	
COc1c(CC(=O)CCl)cccc1B(O)O	396024267	QKYLNLGWYHJUEC-UHFFFAOYSA-N	242.467	-0.275	50	10	BBGE	
COC(=O)CCc1cc(CC#N)cc(B(O)O)c1	396141341	ZMSHJCPFBOZNJT-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
CNC(=O)CCCNC(=O)NC(=O)[C@H](C)Cl	398357726	LTIAAEBEWUXSOC-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CCOC1	398959619	YAHAHRIFUWQMER-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CCO[C@H]1CCCCN(CC(=O)NN)C1=O	399481727	FJZBQAXCVRTDFU-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
CN(CC[S@](C)=O)[C@H](C(=O)NN)C(C)(C)C	399974989	KNLLPXQNTKSXKH-BCTVWOGZSA-N	249.380	-0.299	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccncc1	405000994	MQLSDKZTVVQWBK-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCCOCC(=O)Nc1cc(B(O)O)ccn1	405009549	SGNKGOCEKYLQGU-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CCN1CCN(CCC(=O)NN)C1=O	689025449	RXBMDNFRGZAPIL-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
NC(=O)NNC(=O)c1nnc(O)c2ccccc12	700868948	OELPJWGCOLONLF-UHFFFAOYSA-N	247.214	-0.352	50	10	BBGE	
NNC(=O)C(=O)NCc1ccncc1Cl	704398402	AFEKSQRANUEICN-UHFFFAOYSA-N	228.639	-0.659	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1C(C)(C)O	707559587	VYBGXIMVHXLSOT-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710324322	KMWLHXQAYSKBGC-FBDQPXRJSA-N	241.335	-0.154	50	10	BBGE	
O=C(C[C@H]1CCC2(CCC2)O1)NCB(O)O	716960592	BISSQLIOLWMFNE-MRVPVSSYSA-N	227.069	-0.394	50	10	BBGE	
CN(C)NC(=O)Nc1cc(C(=O)O)n(C)n1	725227830	FFBUNAVVTAWUFI-UHFFFAOYSA-N	227.224	-0.284	50	10	BBGE	
CN(N=C1CC(=O)N2CCC[C@H]12)C(N)=O	799483581	ZLNFJJCCGXLUFZ-SSDOTTSWSA-N	210.237	-0.252	50	10	BBGE	
CC1(C=NNC(=O)[C@@H]2COCCO2)COC1	814860085	CFMCIBCGUJLHAB-QMMMGPOBSA-N	228.248	-0.460	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	854288015	SMOHUKDETJWGIE-MBTKJCJQSA-N	249.270	-0.322	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(C#N)CCCOC1	868241615	MXLMCYYOOMDPQN-NSHDSACASA-N	241.291	-0.084	50	10	BBGE	
O=C(CN1CCOCC1)NN=Cc1ccccn1	1084046523	HJTZIKWGNXKKCG-UHFFFAOYSA-N	248.286	-0.136	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(CCO)C1CC1	1167023539	GATSQWHDCVXRGL-UHFFFAOYSA-N	243.307	-0.754	50	10	BBGE	
Cc1c(CC(=O)NNc2cnnn2C)cnn1C	1306847881	COUNJQOAGRMABF-UHFFFAOYSA-N	249.278	-0.457	50	10	BBGE	
C=CCOCC(=O)NNC(=O)c1ncccn1	1436868324	UQRSPQRSDHSRJR-UHFFFAOYSA-N	236.231	-0.560	50	10	BBGE	
O=C(CCc1nn[nH]n1)NNc1ccncn1	1449877771	RLDLABXTYNZNQF-UHFFFAOYSA-N	234.223	-0.934	50	10	BBGE	
C#CCN(CC#C)C(=O)c1ccc(B(O)O)cc1	1628532674	OSSZJRGTXHFUSE-UHFFFAOYSA-N	241.055	-0.925	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1ccnnc1	1630214556	GEBBFLDXVISVSH-SECBINFHSA-N	249.274	-0.668	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1cc(C)nc(N)n1	1650667210	BSDIEJINABLMQE-SNVBAGLBSA-N	237.263	-0.253	50	10	BBGE	
CNC(=O)CNC(=O)[C@@H]1C[C@@H]1Br	1877333418	ANFHENDZNOWWBZ-UHNVWZDZSA-N	235.081	-0.368	50	10	BBGE	
O=C(CBr)NC[C@H]1CCNC1=O	1881334071	UOWYAVMFRAGLSF-RXMQYKEDSA-N	235.081	-0.366	50	10	BBGE	
O=C(NCC#CCO)[C@H]1C[C@H]1Br	1881353945	QDRBILJCIZQUAH-NKWVEPMBSA-N	232.077	-0.118	50	10	BBGE	
N[C@H]1C[C@@H](NC(=O)/C=C/C(=O)Cl)C1	1883647841	RJAMTTJHGSSIKS-MXSSIIPASA-N	202.641	-0.086	50	10	BBGE	
N=c1[nH]c(N)cc(=NC[C@@H]2C[C@@H]2Cl)[nH]1	1893098042	GQOFCIBSPLHOGA-WHFBIAKZSA-N	213.672	-0.068	50	10	BBGE	
N[C@@H](CCNC(=O)[C@@H]1C[C@H]1Cl)C(=O)O	1893452705	HIRWQILNLCIUQG-PBXRRBTRSA-N	220.656	-0.468	50	10	BBGE	
CS(=O)(=O)c1ccccc1[C@@H](N)[C@@H](O)C#N	1894491382	JWZMIAAXFQQMHH-WCBMZHEXSA-N	240.284	-0.026	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1COC[C@H]1F	1896826714	BHOXJDQJCYDFGO-WCTZXXKLSA-N	229.207	-0.360	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1C[C@H]1C[C@@H]1Cl	1897143956	GTEPXTPTRLTWIQ-QKCLAQEOSA-N	249.694	-0.506	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H](CO)C1	1901756075	CHGASMRIXXCKJB-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CCC[C@@H]1NC(=O)N([C@@H](C)CC(=O)NN)C1=O	1905535114	SJAHUXHTEFXLEA-BQBZGAKWSA-N	242.279	-0.525	50	10	BBGE	
NNC(=O)Cc1sccc1C(=O)O	1914769931	BBSDAFPRVWCUPE-UHFFFAOYSA-N	200.219	-0.021	50	10	BBGE	
CCOCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1927912760	AICXCUPNHAJFOH-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
NNC(=O)COCCSc1ccncn1	1928180589	CKFSJNGIBQJZDV-UHFFFAOYSA-N	228.277	-0.425	50	10	BBGE	
C[C@H](CCl)CN1CCOC[C@H]1[C@@H](O)CO	1928574117	RXTCNVTXUJTBLB-UTLUCORTSA-N	237.727	-0.085	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@H]1CN(C)C[C@H]1Cl	1928957110	IIJWZFAXDUUYGV-XFWSIPNHSA-N	234.727	-0.089	50	10	BBGE	
NNC(=O)NCCc1ccc(O)c(O)c1	1929414963	IIIWKVFGBAUBAA-UHFFFAOYSA-N	211.221	-0.187	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@H](F)C2)c1	1930621588	LGLXZKLQXLTBTR-APPZFPTMSA-N	212.033	-0.299	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(CCO)C1	1932107318	CWNBHVVWXFTSPW-JGVFFNPUSA-N	215.297	-0.685	50	10	BBGE	
Cn1ncnc1[C@H]1CS(=O)(=O)C[C@H]1Cl	1934428700	UYDUQKSBRKFUBC-NTSWFWBYSA-N	235.696	-0.066	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)[C@@H]1CO	1935932684	SFWFJBLGHIEQCJ-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1936090036	FSOQGJFGCPLAOC-OYNCUSHFSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CN1CC[C@@H]2COCC[C@@H]21)C(=O)NN	1936281259	BKDDOIGTUSNDDI-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)c1cncc(CN2CCCO2)c1	1937124222	MDQGULLVLGFLIU-UHFFFAOYSA-N	222.248	-0.178	50	10	BBGE	
O=C(Cn1cnnc1)N1CCOC[C@@H]1CCl	1937149757	VSZHHERVCWLGHC-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
COCCN(CCCl)C(=O)Cn1cnnn1	1937159452	ICKAZTNXQPMUQJ-UHFFFAOYSA-N	247.686	-0.613	50	10	BBGE	
NNC(=O)C1(CN2CCCCS2(=O)=O)CC1	1938234932	ZSBVYDYRFVZUNG-UHFFFAOYSA-N	247.320	-0.818	50	10	BBGE	
O=C(NC[C@@H]1COC[C@H]1Cl)[C@@H]1COCCO1	1939170754	HALMCTHDZPNKLK-HLTSFMKQSA-N	249.694	-0.228	50	10	BBGE	
C[C@H](CN1CCO[C@@H]2COCC[C@H]21)C(=O)NN	1940343972	POJATFFFWIDKHT-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CCO)C1	1941088835	SEJIVPCGXAKASP-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H](CCF)C2)CC1	1945882129	CFXOIDDQXBHPOI-SECBINFHSA-N	245.298	-0.183	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCCC[C@H]1O	1945889758	VFEOYRRYNBFCEP-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C[C@@H](O)CCl)C1	1956437955	KZWHDLSLZYTBBK-CIUDSAMLSA-N	223.700	-0.332	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)CCCO)CC1	1957910296	HCVQUKIFPYVUHR-UHFFFAOYSA-N	230.289	-0.146	50	10	BBGE	
CC(C)(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1958871032	VLAKOEYCCWAUKL-YFKPBYRVSA-N	217.030	-0.925	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1ccon1	1976755979	PCCKKDJEUUGOES-MRVPVSSYSA-N	228.252	-0.889	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ncon1	1976756874	ZGEAVXBKUOVOJH-RNFRBKRXSA-N	227.268	-0.484	50	10	BBGE	
CSC[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976993400	AIJACVHRERACHZ-PHDIDXHHSA-N	249.097	-0.972	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]2COCC[C@H]21	1980815624	FYKVHPASPZGGOG-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1C(F)F	1981409583	OTVHRZJZGDCZSB-LURJTMIESA-N	228.995	-1.000	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ncc(B(O)O)cn1)C2	1981412650	XCIRDVUQHNPCTL-XCBNKYQSSA-N	219.053	-0.997	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@H]1[C@H]2COC[C@H]21	1982231675	FHVVJPQAAOOCJO-ULAWRXDQSA-N	247.678	-0.225	50	10	BBGE	
COCC(=O)N[C@H](C)c1cscc1B(O)O	1987175161	NBGZHLBVIDOESS-ZCFIWIBFSA-N	243.093	-0.749	50	10	BBGE	
CO[C@@H]1CC[C@H]1CCN(C)C(=O)C(=O)NN	1987263323	CCGPUMTWTRTUJS-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1C1(O)CC1	1987340777	NMJSZYQUZXAXAC-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
CC(C)[C@H](COC(F)F)NC(=O)C(=O)NN	1987464481	OQNDZQFTRRHBDB-YFKPBYRVSA-N	239.222	-0.644	50	10	BBGE	
C[C@H](CN)SC[C@H]1CCC[C@@H](C(=O)NN)O1	1990164567	PDABBFSZNFTRAO-HLTSFMKQSA-N	247.364	-0.006	50	10	BBGE	
CSCCNC(=O)N[C@H]1CCC=C1B(O)O	1991332668	RBFXNPQWFHMHNQ-QMMMGPOBSA-N	244.125	-0.251	50	10	BBGE	
CN1CCC[C@@H](OCC(F)(F)C(=O)NN)C1	1992110695	KKSFKXXNRRKXJT-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(CO)C1	1992490868	SYZVMKXCNDGDHU-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(CN1C(=O)C[C@]12CCOC2)C(=O)NN	1996642972	BSVBTKMSAVPDLZ-NSHDSACASA-N	241.291	-0.606	50	10	BBGE	
OB(O)c1cccc(CN2CCC[C@H](O)C2)c1	2000988107	PEZNOTJSDAFPCA-LBPRGKRZSA-N	235.092	-0.677	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1ncncc1B(O)O	2004916838	QPDIMMAWAIXVDN-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
C[C@H]1N(c2ncc(B(O)O)cn2)CCC1(F)F	2004917111	UPQZGVPBNXXRCT-ZCFIWIBFSA-N	243.022	-0.610	50	10	BBGE	
CCCOCCCOc1ncccc1B(O)O	2004951965	PEXLYSGLKYJIBR-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
Cc1nc(N(C)[C@@H](C)C2CC2)ncc1B(O)O	2004974272	HZXGSXWSXAAJBY-QMMMGPOBSA-N	235.096	-0.300	50	10	BBGE	
C[C@]1(F)CCN(c2ncc(B(O)O)cc2F)C1	2005018815	YUUZKNCZVSDKCC-JTQLQIEISA-N	242.034	-0.161	50	10	BBGE	
O=C(NNCCO)c1ccnn1[C@@H]1CC1(F)F	2008767004	DCEXTXYLDVYNSK-SSDOTTSWSA-N	246.217	-0.310	50	10	BBGE	
CN1CCN(C[C@H]2CC[C@H](C(=O)NN)C2)CC1	2010834471	CWTDVBKWTSDKAW-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2C[C@H]1C[C@H]1C(=O)NN	2013675952	CZZLEBZNKFXFLS-LMLFDSFASA-N	238.335	-0.609	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CC[C@H](C)OC1	2019207400	BGXQZFIEEQKLEJ-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
C=C(CN1C[C@H]2[C@H](N3CCCC3)[C@H]2C1)B(O)O	2021158827	IYDMNJHYQSRGKO-GDNZZTSVSA-N	236.124	-0.419	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC[C@H](F)C3)(C1)C2	2023851923	CIDUUYPJQDUFSW-LSJOCFKGSA-N	243.282	-0.431	50	10	BBGE	
O=C(NCCc1cccc(B(O)O)c1)C(F)F	2025208037	PSJXYCFFHWZFIW-UHFFFAOYSA-N	243.018	-0.710	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](OCCCO)C1	2026097116	UVDPAJGCVIOAHC-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)c1cncc(CN2C(=O)CCC2=O)c1	2027476012	YGLCOEBNONIMPE-UHFFFAOYSA-N	248.242	-0.666	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1	2028425801	LCFZXCXNZDRCNY-YUMQZZPRSA-N	247.063	-0.755	50	10	BBGE	
CCN(C)[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2052468524	DTFGNNRNQHQIEW-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@@H](C3CC3)C2)nc1	2052473419	SGRLAAVFHMSNJW-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c1B(O)O	2053737243	WJBMCIZGPGRCPN-XKNYDFJKSA-N	245.091	-0.691	50	10	BBGE	
CCOc1c(C)ccc(B(O)O)c1[N+](=O)[O-]	2060019455	RKJHSOHYFXLCJR-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCc1ccc(B(O)O)c([N+](=O)[O-])c1OC	2060061123	FOMZRZSXGBNKAS-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCOc1ccc(C=O)c([N+](=O)[O-])c1B(O)O	2060145703	GXSTWBIKPIFVFF-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
CCOc1cc(C#N)c(F)cc1B(O)O	2060174335	FQBWYIFZYXHDER-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1nc(NC(=O)C2CCCC2)ncc1B(O)O	2069482187	GJKMUENVYBUFOE-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
C#CCN(C(=O)c1ccccc1B(O)O)C1CC1	2079010912	WCLQUBONMLCJLN-UHFFFAOYSA-N	243.071	-0.396	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CSCC(N)=O	2209905370	AXGIIKCDAANQTM-WDSKDSINSA-N	217.294	-0.779	50	10	BBGE	
COC1(C)CN(CC2(C(=O)NN)CCC2)C1	2212264558	AVXNQTWYMLXMQB-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C/C=C/CCCOc1ncc(B(O)O)cn1	2212608037	GLKHAEMXVYOPAN-NSCUHMNNSA-N	222.053	-0.109	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@H]3C[C@@H]3C2)c1	2212610238	FLKQELDEJQVRJO-HTQZYQBOSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCCCF)c1	2212612815	OUNQYBOFZIPABI-UHFFFAOYSA-N	226.060	-0.265	50	10	BBGE	
CC1(C)NCC[C@H]1Nc1ccc(B(O)O)cn1	2217176647	YXUDDRXIEXNLGF-SECBINFHSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCNC1	2217178088	RHVZIQZSLZTCBL-SECBINFHSA-N	235.096	-0.827	50	10	BBGE	
C[C@H]1CCOC[C@@H]1Oc1cc(B(O)O)ccn1	2217193191	LHSRDRGQFKEWPF-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
CC[C@H]1COCCN1c1cc(B(O)O)ccn1	2217195211	HDBSRYWLQPDBOO-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)Cc1cccc(B(O)O)c1	2220064082	NGJLTMGUQBQNLL-GXFFZTMASA-N	249.119	-0.431	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@H]1Oc1ncccc1B(O)O	2223652750	LCXBYWTWOIRGSO-ZJUUUORDSA-N	248.091	-0.590	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccoc1B(O)O	2243349050	FDFAZLVOUUONOU-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
O=C(NCCC1CC1)c1ncsc1B(O)O	2243358112	CFGCSZSXNCRRLG-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
O=C(NC1CC(F)C1)c1ncsc1B(O)O	2243358746	KHTSOHWPZVMWML-UHFFFAOYSA-N	244.056	-0.947	50	10	BBGE	
N[C@H](CNC(=O)C1(B(O)O)CC1)C1CCC1	2243363860	NLYSNIBLXDXHED-MRVPVSSYSA-N	226.085	-0.763	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1sccc1B(O)O	2243376750	OSCLUHQWNNNAOW-LDWIPMOCSA-N	239.105	-0.044	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)cs1	2243385806	OPXNEHVVUHNVEE-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2243392701	WINGURRDVKYGMZ-KZVJFYERSA-N	222.053	-0.342	50	10	BBGE	
CC1(C)CCN1C(=O)c1cc(B(O)O)sn1	2243397963	LWMAMDISQIGCGQ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
Cc1cnc(CN(C)C(=O)C#CB(O)O)s1	2243398444	DVVAOPQNXNUUBY-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@H]2C[C@H]21	2243414813	IPXBFMVNJUTVIX-CAHLUQPWSA-N	238.077	-0.943	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)co1	2243427506	WMYSCHZUSCAPEK-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
C[C@@H]1COCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427743	ZZMQSWKFOKDHMV-CIUDSAMLSA-N	227.069	-0.656	50	10	BBGE	
CC=CC(=O)N[C@H](C)c1nscc1B(O)O	2243685137	NUKCYRNSVPUCIV-ZCFIWIBFSA-N	240.093	-0.424	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2243751734	AFZHFGRSHKRPNA-ZCFIWIBFSA-N	229.041	-0.685	50	10	BBGE	
CN(CCCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243752493	JEPYKHQOEAWLNO-BQBZGAKWSA-N	229.041	-0.828	50	10	BBGE	
C[C@H](CN(C)C(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2243753121	RAYCEMFXUYBVJZ-DSYKOEDSSA-N	229.041	-0.972	50	10	BBGE	
O=C(NCCC#CB(O)O)NC1CCCC1	2244540418	VKBKNMRTFLKCAL-UHFFFAOYSA-N	224.069	-0.366	50	10	BBGE	
CC1CC(S(=O)(=O)NCCC#CB(O)O)C1	2244542276	XWFDPJAAODQGQR-UHFFFAOYSA-N	245.109	-0.890	50	10	BBGE	
CC1(Oc2cc(B(O)O)c(Cl)cn2)COC1	2245912841	IBMJDLZRZWLIAN-UHFFFAOYSA-N	243.455	-0.418	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cc(B(O)O)cnc1C	2246825448	PDJQIFOWDWCLFN-KCJUWKMLSA-N	237.064	-0.516	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)[C@@H]1CCCCO1	2247743707	IAOHLJTXTGENGG-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
C[C@]12CN(C(=O)C#CB(O)O)CC[C@H]1C2(F)F	2247747609	PVZORHSWIFTMNV-APPZFPTMSA-N	243.018	-0.495	50	10	BBGE	
CC[C@@H](NC(=O)c1occc1B(O)O)C1CC1	2247751121	SWAVHKIEBQYEHQ-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790518	HWEDUJZQXVQLAP-DOLQZWNJSA-N	240.112	-0.422	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247796902	DUUMEIACZYWWTC-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247797191	GXHRQHDYWRXCQE-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2CC(B(O)O)C2)[C@H]1C	2247797703	MGGGXSCKULMYFL-MPJGXYLBSA-N	241.096	-0.221	50	10	BBGE	
O=C(NCC1OCCCO1)[C@H]1C[C@H](B(O)O)C1	2247798409	TWENHLZHECBYLV-ZKCHVHJHSA-N	243.068	-0.881	50	10	BBGE	
CC1(CO)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247805793	LBEDIFLSDMDQRT-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1cc(B(O)O)c[nH]1	2247847783	BNUQJYITFBIYOS-SFYZADRCSA-N	236.080	-0.530	50	10	BBGE	
C=C(C)CCCNC(=O)c1cc(B(O)O)c[nH]1	2247849489	ANGHRSDZYWAKML-UHFFFAOYSA-N	236.080	-0.219	50	10	BBGE	
CN(CC12CCC(CC1)O2)C(=O)C#CB(O)O	2247851673	IFAXMBLMAOXKGQ-UHFFFAOYSA-N	237.064	-0.828	50	10	BBGE	
O=C(NCC1[C@@H]2COC[C@@H]12)[C@H]1C[C@H](B(O)O)C1	2247860413	WTPWSFXTMNAMRE-YIKMNZTOSA-N	239.080	-0.752	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCCC1CC1	2247869055	LFBXOWGCQPVZMJ-UHFFFAOYSA-N	236.080	-0.765	50	10	BBGE	
CC(C)(NC(=O)C1(B(O)O)CC1)[C@H]1CCCN1	2247873796	MANHYPOKKQCKRD-MRVPVSSYSA-N	240.112	-0.360	50	10	BBGE	
O=C(N[C@@H]1CC12CC(O)C2)C1CC(B(O)O)C1	2247892865	IYDZIVUTYHCIKM-AMAYZAIJSA-N	239.080	-0.731	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ccnn1C	2247896197	YAYVCMGMVAUJMW-CSMHCCOUSA-N	237.068	-0.540	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2247896869	LGIRRVKXOUHVPN-YIZRAAEISA-N	243.112	-0.095	50	10	BBGE	
CC1(C)CNC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247897921	YMDRUCZBHZHCPP-CIUDSAMLSA-N	240.112	-0.646	50	10	BBGE	
Cc1nc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c(C)o1	2247899078	KFMBRPDKEBERLS-HTQZYQBOSA-N	238.052	-0.229	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CN	2247899088	KHGKZTIMHMKHML-UTINFBMNSA-N	240.112	-0.707	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248476835	WVOWUJSYQDMVAH-YIZRAAEISA-N	241.096	-0.125	50	10	BBGE	
CCN(C)C[C@@H](O)CN1CCC(B(O)O)CC1	2249378449	NPSKVBKDJGYIRK-LLVKDONJSA-N	244.144	-0.762	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H](F)C1	2249416924	YTJDUDLEMAQSOZ-MRVPVSSYSA-N	241.027	-0.467	50	10	BBGE	
O=C(Nc1ccccn1)c1cc(B(O)O)co1	2249430891	QHZKSOQWVJVXII-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2250322857	GSCMCKICUWQOAP-KSFAHDSMSA-N	239.080	-0.921	50	10	BBGE	
Cc1ccc(CO)cc1NC(=O)C#CB(O)O	2253245655	XGRHETHCOBAUMV-UHFFFAOYSA-N	233.032	-0.559	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ncccn1	2254029591	QQWZLRCGBRPXMK-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@]3(C)C2)n1	2254696925	OGPFQCPKJPWCND-PRHODGIISA-N	248.091	-0.384	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2255449708	PKKXCFZXDJKKHR-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
O=C(NCc1ccncc1)c1ccc(B(O)O)o1	2255466605	BEOHNIZDFKEQDP-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(B(O)O)o1	2255467974	UPAQZHJIBFFWFF-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2n[nH]cc2c1	2255474927	VEIQQHDDTPPLCR-UHFFFAOYSA-N	243.031	-0.806	50	10	BBGE	
Cc1cccc(C(=O)N2CCOCC2)c1B(O)O	2255509645	NEQNRNUTODNMMB-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
Cc1cc(C(=O)Nc2ccccn2)oc1B(O)O	2255574072	WECGBFRAYBRAQA-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1ccc(B(O)O)o1	2255674239	WLOZRILCYIUPMF-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C[C@H]1C(CNC(=O)c2cncc(B(O)O)c2)[C@@H]1C	2255734239	XRFVMPVDQCEMBA-HTQZYQBOSA-N	248.091	-0.607	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N[C@@H]1[C@H]2CC[C@H]21	2255921171	VLTUBDUCIUGSRW-VROVMSAKSA-N	246.075	-0.104	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(C(=O)O)c(O)c1	2256913826	OYTYZIVCFWDBEI-UHFFFAOYSA-N	248.987	-0.956	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1C=CCC1	2257494604	MHJCEVBICXKBLX-JTQLQIEISA-N	246.075	-0.482	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2258125875	BRSDLIJLOQVKCL-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1cc(B(O)O)co1	2258130608	JKUDCFLGRYZNLP-SZEHBUNVSA-N	249.075	-0.122	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@@H]2CC[C@@H]21	2298369937	JNVVIMQZJXVYOS-AATLWQCWSA-N	238.096	-0.846	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@]2(CO)C1	2298371050	WYUNAAXAUWIIPE-YSSBGUOXSA-N	239.080	-0.920	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@@H]21	2298376371	UIUBRULMSYXPKZ-CIQUZCHMSA-N	239.080	-0.779	50	10	BBGE	
OB(O)[C@@H]1CCN(CCOC2CCOCC2)C1	2303106520	SSDXJXJQCOFLGR-SNVBAGLBSA-N	243.112	-0.269	50	10	BBGE	
CC(C)CNC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	2303125029	VKATYOHQVBEMEY-VHSXEESVSA-N	242.128	-0.304	50	10	BBGE	
CC[C@](C)(CN1C(=O)CCNC1=O)C(=O)NN	2303431827	NJKPHKJAHBIEEJ-SNVBAGLBSA-N	242.279	-0.666	50	10	BBGE	
CNC1CC(Oc2ccc(B(O)O)cc2C#N)C1	2317211652	NDYIHFWPBVRXRB-UHFFFAOYSA-N	246.075	-0.633	50	10	BBGE	
C[C@H]1C[C@H](N)CN1c1ccc(C=O)c(B(O)O)c1	2317352026	RPYGOOLGAYXSED-WPRPVWTQSA-N	248.091	-0.895	50	10	BBGE	
CCC#CC(=O)NCCc1ccccc1B(O)O	2319240369	LKMRTPWTIYJMET-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
Cc1cn([C@@H]2C=C(C#N)[C@@H](CO)O2)c(=O)[nH]c1=O	40656320	CTKYKXZRHGLZHV-BDAKNGLRSA-N	249.226	-0.815	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cccc(F)c1	49533218	MXBBUSCKEHKLMZ-LURJTMIESA-N	225.223	-0.007	50	10	BBGE	
O=S1(=O)CC[C@@H](n2nnnc2CCl)C1	54743967	YWACOIWCCUMDHV-RXMQYKEDSA-N	236.684	-0.229	50	10	BBGE	
O=C(NCCCl)N(CCO)CCO	60265612	PGKFITFRFIDHLM-UHFFFAOYSA-N	210.661	-0.779	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCNC(=O)CC1	62101070	KCXLHOVGMMAZDY-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCCCS1	87682459	VPYSVFCKMWZVNJ-YFKPBYRVSA-N	203.267	-0.028	50	10	BBGE	
CCOCCN(C)[C@@H](C(=O)NN)C(C)C	87979981	AGHDRDZQYIOPEP-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1CC(C)(C)C(=O)NN	93728102	GFXOZVJDVASDFR-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)CCCN1[C@@H]2CC[C@@H]1CC(O)C2	111214667	SYCGUGOEWSYTOI-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)Cc1ccccc1	111820674	QEPIBXDQEQFYDV-SNVBAGLBSA-N	237.303	-0.141	50	10	BBGE	
COCC(C)(C)C(=O)NNC(=O)c1c[nH]nn1	131763287	CHZXCXZDJSVGSB-UHFFFAOYSA-N	241.251	-0.762	50	10	BBGE	
COc1c(F)c(B(O)O)cc(F)c1C(=O)O	196179664	YPHHPEYBWOUYRY-UHFFFAOYSA-N	231.947	-0.649	50	10	BBGE	
CCC[C@@H](Sc1n[nH]c(=O)n1C)C(=O)NN	211915202	ADVQPLVAYDEFJG-RXMQYKEDSA-N	245.308	-0.641	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)CBr	227260569	ZLDHKBGKDKITAS-SCSAIBSYSA-N	240.053	-0.969	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccnc2)n1	236255347	QABIZEKEMALDOM-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
N#Cc1c(B(O)O)cncc1C(F)(F)F	238636171	MOJCEEDCJBLQAC-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
O=Cc1cc(Br)c(B(O)O)o1	238639614	TXUBNANTBSMIQB-UHFFFAOYSA-N	218.799	-0.466	50	10	BBGE	
COC[C@H](S[C@H](C)[C@H](C)O)C(=O)NN	300340492	PNVKNLHJYSQZRW-XVMARJQXSA-N	222.310	-0.506	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1CCO	304536068	JSUQYXZJAKLFGM-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
CC(=O)NC1CN(C[C@@H](Cl)C#N)C1	306843983	GZAOBSNJGULVPK-ZETCQYMHSA-N	201.657	-0.062	50	10	BBGE	
OB(O)c1ccc(C(F)(F)F)c(O)n1	307019381	UYKXKJSPCXZCMA-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H]2CC[C@@H](Br)C[C@H]2N1	307290374	BLOCXHZSHVLLGS-UNGCPHIMSA-N	248.124	-0.120	50	10	BBGE	
COC(=O)c1ccc(B(O)O)cc1C#N	308906902	VRUDOSKDVKGVHU-UHFFFAOYSA-N	204.978	-0.975	50	10	BBGE	
C[C@@H](Cl)c1nc(N)nc(N(C)CC(N)=O)n1	309269349	CTSFUBBEMYNTEU-SCSAIBSYSA-N	244.686	-0.325	50	10	BBGE	
COC1CN(Cc2ccoc2C(=O)NN)C1	309332891	JGKULRDNAZDWST-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
CCN(CCOCCO)[C@@H](C)CCC(=O)NN	310210291	FSDFCOPCIITRJW-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	310517749	MVRHAMNFKGEKIX-CMPLNLGQSA-N	240.351	-0.218	50	10	BBGE	
CCCC1(O)CN(C[C@H](C)C(=O)NN)C1	384168421	SZJKFCIFKIFWDH-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1	388103284	VBOBEEYBBLLUJX-LYFYHCNISA-N	227.651	-0.678	50	10	BBGE	
CN1C[C@@H](N=c2[nH]nc(CCCl)o2)C(=O)N1	393921553	UMCWFLOFMVWJNX-RXMQYKEDSA-N	245.670	-0.970	50	10	BBGE	
CCOc1cccc(CCC=O)c1B(O)O	396097153	NCIMURVQPWCOOW-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
Nc1c(C=O)cc2sccc2c1B(O)O	396276589	QZENLHBEQJDRAG-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1CCCC1	404934537	GWAWRRGVXZAENY-UHFFFAOYSA-N	240.093	-0.048	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2[C@H](C)CC(=O)NN	686193022	KDYHEJFXKKWWBT-QGKZMRNZSA-N	241.335	-0.011	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CCN(C)C)C(C)C	688924171	CHOTUCLGMLNFSF-JTQLQIEISA-N	246.355	-0.737	50	10	BBGE	
CCN(CCC(F)(F)F)C(=O)C(=O)NN	689124791	NIUOXKVKDIOMRS-UHFFFAOYSA-N	227.186	-0.223	50	10	BBGE	
Cn1ccnc(N2CCC(O)(C#N)CC2)c1=O	692148353	MXUFUZSERQZWDR-UHFFFAOYSA-N	234.259	-0.365	50	10	BBGE	
CN(C[C@H]1CCCCS1(=O)=O)C(=O)NN	694482016	JAUHGRDQLCCHJW-SSDOTTSWSA-N	235.309	-0.531	50	10	BBGE	
C[C@H](Cl)[C@H](C)NC(=O)c1nnn(C)n1	697201736	UKGVVZWDAHLWDL-WHFBIAKZSA-N	217.660	-0.044	50	10	BBGE	
Cc1cc(C)n2ncc(C(=O)NCB(O)O)c2n1	701931252	HVDUOUGPRJQJFD-UHFFFAOYSA-N	248.051	-0.912	50	10	BBGE	
CC(C)[C@@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703475438	VOSINQNJYWMMET-CIUDSAMLSA-N	227.260	-0.080	50	10	BBGE	
CCn1nnnc1S[C@@H](C)C(=O)NN	706552287	GUTZZFMVCHFCPO-BYPYZUCNSA-N	216.270	-0.837	50	10	BBGE	
OB(O)c1ccc(OCCN2CC[C@H]3C[C@H]32)cc1	707088501	NPNAEOMEXNNVKM-GXFFZTMASA-N	247.103	-0.161	50	10	BBGE	
NNC(=O)CCN1CC(n2cccn2)C1	707399204	KZOBHWQXUIVMOV-UHFFFAOYSA-N	209.253	-0.880	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]12	717086621	DFTKVVQEANAECK-RNJXMRFFSA-N	211.265	-0.471	50	10	BBGE	
C[C@H]1CCN([C@@H](C)C(=O)NN)CCO1	720471648	JUUBRBSZZFNBCS-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C1CCC(=O)N(C[C@H](Cl)C(=O)O)N1	953101530	IJPLINSBMOTRJT-BYPYZUCNSA-N	220.612	-0.668	50	10	BBGE	
COC1(C=NNC(=O)CS(C)(=O)=O)CCC1	1118953436	QPIJDTHGMMRGHS-UHFFFAOYSA-N	248.304	-0.298	50	10	BBGE	
C[C@](O)(CC(=O)NNc1nc[nH]n1)C1CC1	1183624326	MIXKVXLMJCCIOO-VIFPVBQESA-N	225.252	-0.201	50	10	BBGE	
CNC(=O)NNC(=O)c1csc(CO)n1	1292010187	JANWNLRPMJKLFT-UHFFFAOYSA-N	230.249	-0.791	50	10	BBGE	
CNC(=O)CNC(=O)/C(C#N)=C/c1cnn(C)c1	1543202173	JUMMECOUJLKLBU-YCRREMRBSA-N	247.258	-0.811	50	10	BBGE	
CS/C=C\C(=O)NNC(=O)c1ncon1	1627100259	XMLSWQFAMTVSGL-IHWYPQMZSA-N	228.233	-0.293	50	10	BBGE	
Cc1nnc(NNC(=O)COC2CC2)nc1O	1638093608	JNDURGSCHAFBJQ-UHFFFAOYSA-N	239.235	-0.492	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)c2cc[nH]n2)n1	1645306006	BPZLVJNDFUQXHW-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]1Br	1877486939	HWRTZKRENZEQBI-WDSKDSINSA-N	236.113	-0.309	50	10	BBGE	
OCC1(CO)CCN1CCBr	1880404343	HWKKUKJETFAFBM-UHFFFAOYSA-N	224.098	-0.190	50	10	BBGE	
O=C(CCl)N1CCC[C@H]1[C@@H](O)CO	1882210785	WARRFFKLYKCGJG-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
C[C@H]1CNC(=O)CN1S(=O)(=O)CCl	1882317183	YJTJQANGBMAKJT-YFKPBYRVSA-N	226.685	-0.667	50	10	BBGE	
O=S(=O)(NOCCCl)c1cnc[nH]1	1883018678	NDJRHEHZDVVUDL-UHFFFAOYSA-N	225.657	-0.142	50	10	BBGE	
C[C@](O)(CO)CNC(=O)[C@@H]1C[C@H]1Cl	1883633718	BENHADZTSMZQBD-ATRFCDNQSA-N	207.657	-0.527	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883644910	KFRIPJTWWYCHGQ-GBNDHIKLSA-N	205.641	-0.822	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]1CF	1886122585	NUCPTHIAKSLGPZ-BWZBUEFSSA-N	201.245	-0.344	50	10	BBGE	
O=C1NC(=O)[C@@H](C2CN(CCCl)C2)N1	1886471768	VHHUJEJVIYVJPB-ZCFIWIBFSA-N	217.656	-0.635	50	10	BBGE	
CO[C@@H]1CC[C@H]1CC(=O)NNC(N)=O	1886968474	JCGNDRNOTMHGRD-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@H](C)C(=O)NN	1890042963	LYGBLZCSXLPVHS-HTQZYQBOSA-N	203.286	-0.687	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C[C@]3(CCl)C2)n1	1894674487	QPSAPWKKYBRKPB-RCOVLWMOSA-N	241.682	-0.089	50	10	BBGE	
COC[C@H]1CCN([C@@H](C)CC(=O)NN)C1=O	1896918770	UQYZJSALGLSOHT-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@H]2COC[C@@H]12	1897227815	XIMDZHNGYFYKBK-CROXQLKHSA-N	245.662	-0.162	50	10	BBGE	
CN(NC(=O)[C@H]1CC2(CC2)CN1)S(C)(=O)=O	1901341422	VBFOOKSNCKFBCX-SSDOTTSWSA-N	247.320	-0.949	50	10	BBGE	
CC(C)[C@@H](OC[C@@H]1[C@H]2COC[C@H]21)C(=O)NN	1902165981	QNCSUHUBYBQBIS-XFWSIPNHSA-N	228.292	-0.090	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	1908493023	AQYPXWOPHCQVHU-GWOFURMSSA-N	241.335	-0.296	50	10	BBGE	
Cn1cccc1C(=O)Nc1ncccc1B(O)O	1913641295	IHFZNNHQYGPBTL-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1CCCCC1	1913672283	ZSWNOJDIGQBJBE-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)C1COC1	1915658462	PJGFWKQKDIKJIQ-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
COCC1CN(CC(C)(C)C(=O)NN)C1	1916281176	JDVNMOIXIDGCJQ-UHFFFAOYSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1COC[C@@H]1CO	1928736309	UERWNLPGKSFXLA-VQVTYTSYSA-N	207.657	-0.263	50	10	BBGE	
Cc1cccc(C(=O)NNCCO)c1O	1929836677	NNFJTFVMCIBHMM-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
CC(C)(O)[C@@H]1CCCCN1CC(=O)NN	1930118178	LWKGJKICQLBGOH-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC2(CCC2)C1	1931628503	VPIHASCWKUUTEH-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
COC[C@H](C(N)=O)N1C[C@](C)(CCl)C1=O	1932162427	VUGGUTQGGFOPFI-MUWHJKNJSA-N	234.683	-0.426	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CC(=O)NC2=O)C1=O	1932174366	QZCKGKCFXWMVNW-ANLVUFKYSA-N	230.651	-0.511	50	10	BBGE	
CCN(CCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1936090222	HDIQNZUXNFPLPC-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936094217	LJWSEWFZUDGWHG-DJLDLDEBSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1941084131	WLGGSQHADJWPRC-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
CN(Cc1ccn(C)n1)C[C@@H]1C[C@H]1C(=O)NN	1941095070	RZVNXQFSEOIFHO-WCBMZHEXSA-N	237.307	-0.522	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cncn1C	1944724781	GPNCPAVBERZETF-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CC=CCO2)C1	1946044080	NLFPZMZKAAAYHB-ZJUUUORDSA-N	237.303	-0.357	50	10	BBGE	
COCCN1CCCN([C@@H](C)C(=O)NN)CC1	1949128727	KVNODTGZACROFM-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CC(C)(C)OC(=O)N(N)Cc1nc(=O)o[nH]1	1953144086	VKCBTKVSVLEFAG-UHFFFAOYSA-N	230.224	-0.026	50	10	BBGE	
CCCOCC1CN(CC(=O)NN)C1	1956384623	BHFCUMSZYQNVIE-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@H]1C(=O)O	1957258272	YXSFAARKTZHFRJ-BQBZGAKWSA-N	217.656	-0.524	50	10	BBGE	
C=C(CCl)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1	1960156156	PKWLGIBWMIUYAL-OCAPTIKFSA-N	228.679	-0.014	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@H]21	1961696909	TTYISWBMVVNGMK-GMSGAONNSA-N	204.038	-0.640	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC(F)(F)[C@H]1C(=O)O	1962266646	QFESHEAOUIEBNJ-RFZPGFLSSA-N	222.191	-0.065	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cc1	1969449344	LTTHPFQIMFYDKH-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
CCOCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1979179925	VDHHKXXCWIMKIF-NXEZZACHSA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)[C@H](C)C1	1980816998	HTFFFTBFUCBOCN-UTLUCORTSA-N	228.340	-0.221	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ccncc1B(O)O	1981408632	CMLWGMIVAIEDHM-JGVFFNPUSA-N	224.044	-0.302	50	10	BBGE	
CCCCN(CC)c1ncc(B(O)O)cn1	1981408933	HBJIZLQBMOFOHI-UHFFFAOYSA-N	223.085	-0.217	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@H]3C[C@@H]32)nc1	1981412211	SEBOZBORERZQCS-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
OB(O)c1cccnc1Sc1ncccn1	1981465363	MMLIUBDBLYUDGT-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CSCCN(C)c1nc(C)ccc1B(O)O	1981468388	BBOPZHOJOWHPCW-UHFFFAOYSA-N	240.137	-0.131	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)[C@@H](C)COC	1981470701	DCKSERJJBBYXML-ZETCQYMHSA-N	244.125	-0.316	50	10	BBGE	
Cn1c(NCC#CCCl)cc(=O)n(C)c1=O	1982997615	YOHNVQUUDYUAOE-UHFFFAOYSA-N	241.678	-0.262	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC[C@@H]2O)C1	1984543301	RUSCMFQIRUCVHQ-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCCOCC(=O)NN)C1	1986235448	NOELIPAEOBRRKZ-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCOC)C1COC1	1990122888	DAIXYBMFHHETKT-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N(CC(F)(F)F)C1COC1	1991227557	NTIFOJCZIHBMFS-RXMQYKEDSA-N	241.213	-0.372	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1C(=O)C=CC(=O)Cl	1991647357	CNXKCTWTHOSBIU-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
CCCC1CC(C(=O)NCC#CB(O)O)C1	1992124231	AWFJJOWGFRHFPT-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN(C)[C@H](C)c1cn(C)cn1)B(O)O	1992152182	AVZPLZRWRBHDOV-SECBINFHSA-N	223.085	-0.019	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@@H]([C@H](F)C(=O)O)C1	1992529449	VYEXSUDBFOUIQN-XVMARJQXSA-N	233.243	-0.037	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C[C@H](C)O)C[C@H](C)O	1997349116	ARUPIWOWSBVZDQ-GUBZILKMSA-N	247.339	-0.791	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(C1CCC1)C1COC1	1998394950	XUQLWDPIJJGBBP-KWQFWETISA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@H]2CCCCO2)CC1	2000456457	TZKVFGZXQXIAFH-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
CCCn1ncnc1CN1CC(=O)OC(=O)C1	2002645403	NAUBJPBHIXOCLC-UHFFFAOYSA-N	238.247	-0.427	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1N(C)C[C@@H](C)C(=O)NN	2003938480	LXCTZHWANHCWCX-AXFHLTTASA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCO[C@H]2C[C@H]21	2004487608	YTTDZZBSYWITIM-BDAKNGLRSA-N	237.259	-0.144	50	10	BBGE	
COC[C@@H]1CN(CCOCC(=O)NN)C[C@@H]1C	2006565304	ZXPQXKSAZGBINH-UWVGGRQHSA-N	245.323	-0.793	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC2(CC(O)C2)C1	2013328612	LAFNHPMMIALBNM-YZRBJQDESA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC[C@H]1CC2=O	2016837272	QRECOXPMUFUPCI-BDAKNGLRSA-N	239.275	-0.793	50	10	BBGE	
CO[C@H](C)COC[C@H]1CCC[C@@H](C(=O)NN)O1	2018242516	KAGFBADWZWUTCG-BBBLOLIVSA-N	246.307	-0.035	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]12C[C@H](CO1)C2	2019179761	VDSVJMOQNHJWOG-JGZJWPJOSA-N	241.291	-0.736	50	10	BBGE	
CO[C@H]1CN(CC(=O)NNC(C)=O)CC[C@H]1C	2019212103	KNPFCQJJDWTDDL-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1ccc(N2Cc3ncsc3C2)nc1	2023207464	DFTGXCPBRTVBEJ-UHFFFAOYSA-N	247.088	-0.262	50	10	BBGE	
NNC(=O)CCCCN1CCc2nnccc2C1	2043019928	NORANUNGIDXGMV-UHFFFAOYSA-N	249.318	-0.005	50	10	BBGE	
CCc1nccn1Cc1c(C(=O)NN)cnn1C	2050241328	HTGNZKVXYLYRNP-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
O=Cc1c(OC(F)F)cc(F)cc1B(O)O	2060266125	VZBQRLPSDLMCNN-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
COc1c(OC(F)F)ccc(B(O)O)c1C=O	2060325646	PNSDHGASTKWFMC-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1	2079007872	AVXRNVPUDWYMIE-ONGXEEELSA-N	249.075	-0.869	50	10	BBGE	
C[C@@H]1CN(Cc2nscc2B(O)O)C[C@H]1F	2211138609	XHJJJXZZKHDJLD-HTRCEHHLSA-N	244.100	-0.387	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1CCCC(=O)NN	2211250910	SAEYNDQDZFPUGQ-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)NN	2211533126	UZUFUGOTHYPDCN-SGIHWFKDSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2212096641	COEAYCAFRWHFMY-SGIHWFKDSA-N	227.308	-0.257	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@@H]3C2)cc1B(O)O	2212604342	OIFNRPNUVOKYQQ-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2212610128	CUWJNHCKHNMYDB-HTQZYQBOSA-N	221.069	-0.947	50	10	BBGE	
CNC(C)(C)CNc1ccc(B(O)O)cn1	2212611107	VEBGPTBJBFZPSD-UHFFFAOYSA-N	223.085	-0.829	50	10	BBGE	
CC[C@@H](CCN)Oc1cc(B(O)O)ccn1	2212613470	NQTPKMFWAZAIMZ-VIFPVBQESA-N	224.069	-0.732	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CCC[C@@H]1CN(C)C2	2213954799	LMOMWHKAYBLNFJ-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)c1cn(CCOCC2(F)CC2)nn1	2214492967	HIPMEUBHUXJDME-UHFFFAOYSA-N	243.242	-0.600	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CC[C@H]1OC	2215004082	KAVFRBWMUYREEC-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
C[C@@]1(COCCCCC(=O)NN)COCCO1	2216070891	MVOQDYKGAKCEBH-LLVKDONJSA-N	246.307	-0.031	50	10	BBGE	
Cc1nn(C[C@]2(F)CCOC2)c(C)c1B(O)O	2216336071	SENCUENAXXKXIY-SNVBAGLBSA-N	242.059	-0.692	50	10	BBGE	
NNC(=O)C1(CN2CCOCC2)CCOCC1	2216880997	BWKKKJNEOPCTBU-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
CCN(c1cc(B(O)O)c(C)cn1)C1COC1	2217178955	CXJFEGNQHSDGJS-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)CC[C@@H](N)C1	2217181641	SNQWNCOPQCHVSI-KCJUWKMLSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2[C@H]3OCC[C@H]23)c1	2217196706	HZHABCWPTMWGOO-KKZNHRDASA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNc1ncccc1B(O)O	2217201534	YNMQLEWLHUEQSH-DTWKUNHWSA-N	235.096	-0.971	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)C[C@@H]1F	2217204457	JZSUPYXCGMYEHJ-WPRPVWTQSA-N	238.071	-0.054	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@H]2CN1Cc1cccc(B(O)O)c1	2220062046	FNRDDYDLGNUZMK-CYZMBNFOSA-N	247.103	-0.821	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]1CN(c1ncncc1B(O)O)C2	2221723099	VHWSYPWRHCHMTR-DTORHVGOSA-N	247.107	-0.361	50	10	BBGE	
CC1(C)CC[C@H](Nc2ccc(B(O)O)cn2)CN1	2223625990	GIOAHBSNGLLHJU-JTQLQIEISA-N	249.123	-0.296	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@@H]1CCN	2223635448	XIPIRWLUVKJMTL-UWVGGRQHSA-N	249.123	-0.818	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(Cl)C1	2241478809	LQQSNVDIURGIMM-UHFFFAOYSA-N	215.445	-0.865	50	10	BBGE	
CNC(=O)c1c(B(O)O)sc(C)c1C	2241495018	FZKWIDUYGNIPJV-UHFFFAOYSA-N	213.067	-0.596	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1csc(B(O)O)c1	2243362506	RXPGFYVXTIWUTD-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1csc(B(O)O)c1	2243362665	UQKFZBOAXQMNMA-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1C(=O)C1(B(O)O)CC1	2243364462	XKPRKIRPJQTVRM-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
O=C(NCCc1cscn1)[C@@H]1C[C@@H]1B(O)O	2243396643	OXINELUODUMQCV-SFYZADRCSA-N	240.093	-0.335	50	10	BBGE	
CCC[C@@]1(NC(=O)C#CB(O)O)CCOC1	2243400113	WASNAHYHJWSEDK-SNVBAGLBSA-N	225.053	-0.923	50	10	BBGE	
CC(C)=CCNC(=O)c1ccc(B(O)O)o1	2243401693	VQMQGAQMNWWJIA-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CC[C@H](O)[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427484	WISJMWQKPQTIML-HXFLIBJXSA-N	229.085	-0.485	50	10	BBGE	
CCOC(=O)c1cc(C)cc(B(O)O)c1F	2243439649	HGSVSIMWDZKZFL-UHFFFAOYSA-N	226.012	-0.009	50	10	BBGE	
CCC1(C)CN(C(=O)NCC#CB(O)O)C1	2243451771	FXMBIXXEMQSIIV-UHFFFAOYSA-N	224.069	-0.557	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243696771	DUHNASXVKAAPSS-CIUDSAMLSA-N	228.101	-0.660	50	10	BBGE	
O=C(NC1CC=CC1)c1cc(B(O)O)co1	2244222643	VSWKDRHYVLSCBN-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@@H]1CC2	2245199522	HDKQFLNGUKFNAQ-MWLCHTKSSA-N	221.065	-0.302	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cocc1B(O)O	2245953205	WMJWLYKAMRMCDW-UHFFFAOYSA-N	227.025	-0.411	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccoc1B(O)O	2247740032	FGJQCKLLXVYFFR-RNLVFQAGSA-N	235.048	-0.512	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2CCC[C@@H]21	2247743442	DJBKVFGSXJVHKU-YUMQZZPRSA-N	235.048	-0.416	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(B(O)O)o1	2247743477	DUXCJRGOWFNGLQ-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
CC(C)C[C@@H](NC(=O)C1(B(O)O)CC1)C(N)=O	2247756459	NDSVUCCPCJVDAR-SSDOTTSWSA-N	242.084	-0.990	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247792236	RKVBJZFCLYJWKY-KXUCPTDWSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)C2O	2247797957	OWFVQWHUHHMVMJ-ILBMMLLESA-N	239.080	-0.921	50	10	BBGE	
CC1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CNC1	2247798222	RJQABMLOOGFDGW-KYZUINATSA-N	240.112	-0.645	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2CC(B(O)O)C2)CN1	2247799319	BVHLBQOMHNPLRL-AMDVSUOASA-N	240.112	-0.504	50	10	BBGE	
C[C@H](C1CNC1)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247804719	ICASWUMSGHOECK-NQMVMOMDSA-N	240.112	-0.694	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2[C@H](O)C[C@H]21	2247805964	LORGAKNQCJPRBN-ANQZYXBKSA-N	239.080	-0.779	50	10	BBGE	
C[C@@]1(CN)CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247810334	WMMVIZINWQUKJP-QXEWZRGKSA-N	240.112	-0.421	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2OCCC[C@@H]2C1	2247847768	BJFWECLCZUACFT-NXEZZACHSA-N	237.064	-0.971	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCNC1	2247858392	DQFPFJZUEUZYRH-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](O)C1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247859052	JYZFJBJHOILKGC-FXBDTBDDSA-N	241.096	-0.531	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247859342	MELQRFIUESIDHZ-OXYCZDQYSA-N	241.096	-0.077	50	10	BBGE	
CCC1(N)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247860175	STFYXEAMWCIHBY-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cncc(B(O)O)c1	2247869114	MBCXYPUBEMECQX-QMMMGPOBSA-N	236.080	-0.463	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@@H](N)C1	2247875465	YYBXSSJLLBVRTM-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2247878589	OMFOYRDLVDQZLU-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
O=C(NCC12CC(CN1)C2)C1(B(O)O)CCC1	2247879151	RGSRJTVCNHGPNM-UHFFFAOYSA-N	238.096	-0.748	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1COC(C)(C)C1	2247896514	ZFUZNDZCYHIVBC-HLTSFMKQSA-N	241.096	-0.125	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247899272	LYWAQHCJOLWDLW-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)C2CC(B(O)O)C2)C1	2247902108	CPPTYDQNUXSJAU-OXYCZDQYSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CCNCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902447	FMZLRKREZDJBKA-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C[C@H](CO)C(=O)Nc1ccc(B(O)O)cc1F	2248474097	MYLQFFAJHDVZEP-ZCFIWIBFSA-N	241.027	-0.928	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)C(=O)O	2248574215	QAXRYCRWFOHAST-BIIVOSGPSA-N	243.068	-0.439	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C(=O)O	2248579166	YBVNZVBVVBCUEL-RNFRBKRXSA-N	241.052	-0.828	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1cc(B(O)O)co1	2249416737	WOOOJHLWALHSES-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2250322858	GSCMCKICUWQOAP-LALMQGGXSA-N	239.080	-0.921	50	10	BBGE	
Cn1cc(C(=O)NN)c(COC2(C)COC2)n1	2250804477	NAKYUXWPOIXBBR-UHFFFAOYSA-N	240.263	-0.671	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1C[C@H]1B(O)O	2251442701	KNONLKBGVBFAKH-SGIHWFKDSA-N	241.096	-0.483	50	10	BBGE	
Cc1nnccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2251596855	DEPPCXWFEZKRCW-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC23CC3)ccc1B(O)O	2255511887	QOTMTYGYIYLYBM-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2255516927	RLGHWGURDHHARS-WCBMZHEXSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C(=O)[C@@H]2CCC[C@@H]21	2255716133	APTRRTRLHBYQBF-SVRRBLITSA-N	249.031	-0.890	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(B(O)O)cc1O	2255927653	NLSXUYZTWPGZFV-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
Cc1nc(C(=O)NCC#CB(O)O)ccc1C#N	2256635801	HCOLEIOQWYNRRZ-UHFFFAOYSA-N	243.031	-0.993	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2258960586	ICOMPAZBWQYJQG-WTPMCQDGSA-N	247.103	-0.200	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2298165681	RZHDJFCEFKYKHK-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2NCC[C@H]21	2298369571	YOGFKKXFVOXEJP-QCLAVDOMSA-N	238.096	-0.798	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1CCN1	2303857360	DIQOEWSLSPRXKZ-RCOVLWMOSA-N	240.043	-0.970	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@@H]21	2312516182	PYVGVPQPAWVSNK-FKUYFSDWSA-N	249.314	-0.131	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@@H]1C2	2313169661	CODCBQNZRLLNRD-AXFHLTTASA-N	247.103	-0.036	50	10	BBGE	
C#CC#CC(C)(C)Nc1cc(B(O)O)c(F)cn1	2320796753	ODFDSMSJWNBYMG-UHFFFAOYSA-N	246.050	-0.272	50	10	BBGE	
O=C(CCl)NC[C@@H]1CN2C(=O)C[C@H]2O1	13907076	JPIMUEXMCDPXQN-SVGQVSJJSA-N	218.640	-0.701	50	10	BBGE	
C[C@H](CNCc1ccccn1)C(=O)NN	58848864	BGOFTZRZXXTORK-MRVPVSSYSA-N	208.265	-0.203	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H](C)C(=O)O	61218908	RXFUCXVXVZXLPW-SSDOTTSWSA-N	245.279	-0.804	50	10	BBGE	
COC[C@H]1CCN([C@H](C(=O)NN)C(C)C)C1	81121063	MKVJSDFMRJEVNS-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CS(C)(=O)=O)NS(=O)(=O)CCl	81905726	VNZHWAOXOGJWGZ-RXMQYKEDSA-N	249.741	-0.465	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@H](C)CC(=O)NN	82470151	XPESIMRJNMSYAD-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
CNC[C@H]1CCCN([C@H](C)CC(=O)NN)C1	82471269	ANLOWTIHMCONHQ-NXEZZACHSA-N	228.340	-0.314	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1CC(O)C2	111214670	SYCGUGOEWSYTOI-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H](O)CC[C@H]2C1	125783847	LBTUYDURTQVMFE-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
CC1(C)CC(O)(C(=O)NN)CC(C)(C)N1	144695796	KZDQWJBGWATWKM-UHFFFAOYSA-N	215.297	-0.352	50	10	BBGE	
O=C(Cc1ccccc1[N+](=O)[O-])NCB(O)O	170162092	RBAGLZAUGSLGKC-UHFFFAOYSA-N	238.008	-0.735	50	10	BBGE	
O=C(NCCCl)C(=O)N1CCCC1	170359618	WTZCCVWGZPGNHG-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
COC(=O)[C@H](O)[C@@H](O)CBr	221201905	SWGXSCUMJHOWMV-IUYQGCFVSA-N	213.027	-0.724	50	10	BBGE	
COC[C@@H](CNS(=O)(=O)CCCl)OC	234718846	XSEWQOTVRNRNBB-SSDOTTSWSA-N	245.728	-0.194	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1C(=O)NC	251402886	ZXRXWPADZRQSIW-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CO[C@@H]1CN(C[C@H](C)C(=O)NN)CC[C@@H]1C	299916427	SJKFQJTXJYPOLN-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CNC(=O)CCN(C)[C@@H](C)[C@H](C)C(=O)NN	300216542	ROBNCUOBIMKXLX-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
NNc1ccc(CCl)cc1B(O)O	307526725	INQHOMLSACTXMM-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
COCOc1ccc(B(O)O)cc1OCOC	310303731	OISAYBUQEOVZGJ-UHFFFAOYSA-N	242.036	-0.668	50	10	BBGE	
CC(C)C1(O)CN([C@@H](C)CCC(=O)NN)C1	383976676	KHMFSTSDDKWRKZ-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CC(C)(C)C(=O)NN	384866145	PFYFRIVCQMKLSI-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NN)[C@@H](C)O1	384960425	SDSNXRJGQAETSM-FSDSQADBSA-N	215.253	-0.999	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1C=O	396058314	ONJDTNAJQCIZKU-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
CC(=O)Cc1c(/C=C\C(=O)O)cccc1B(O)O	396137222	KYVCIYYXQASPKQ-WAYWQWQTSA-N	248.043	-0.404	50	10	BBGE	
N#Cc1csc2c(B(O)O)ccc(CO)c12	396227228	SUHHLXDMMNJROK-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](CO)(OC)C1	402853661	OUJRCWDWBREGQW-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ccnnc1	404957765	ZPNNEHTVDPVBAB-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccnn1C	689552414	LBFDEIBZNKYURZ-UHFFFAOYSA-N	211.269	-0.768	50	10	BBGE	
O=C1NCC[C@@H]1NS(=O)(=O)CCCl	698953926	RITCXQKVOLXWDJ-YFKPBYRVSA-N	226.685	-0.967	50	10	BBGE	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(N)=S	700841855	UPVXSIGOXMIDTI-RXMQYKEDSA-N	246.336	-0.598	50	10	BBGE	
Cc1nnc(O)c(C(=O)NNC(N)=O)c1C	700878830	ISWILRMHQFFCFC-UHFFFAOYSA-N	225.208	-0.888	50	10	BBGE	
CC(C)(CN1CC[C@H](N2CCC2)C1)C(=O)NN	702299301	DGRXUQXDELEQMK-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)C[C@H]1CO	703792691	HBJWPCXZSDALBW-BIIVOSGPSA-N	204.657	-0.455	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1cnc[nH]1	709748243	KYQYEVIZEZVXSV-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	713761591	YLPTUPNASZQTKI-VGMNWLOBSA-N	215.297	-0.400	50	10	BBGE	
C[N+]1=NC(=O)[C@@H](N[C@@H]2NN=C(CCl)O2)C1	725547858	PNVMYQFVGCDLNA-MHTLYPKNSA-O	232.651	-0.965	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCc2n[nH]cc21	758233843	CBXGKLKXBPSDOO-SSDOTTSWSA-N	222.248	-0.003	50	10	BBGE	
COC1(C(=O)NNC(=O)c2cccn2C)CC1	843520045	IQWCKSRJRKDTME-UHFFFAOYSA-N	237.259	-0.035	50	10	BBGE	
CC(=O)NNC(=O)Cc1nc(C2CC2)n[nH]1	1135817828	DQZBRIRWUCUBRC-UHFFFAOYSA-N	223.236	-0.608	50	10	BBGE	
COC(=O)NCCC(=O)NNc1ccn(C)n1	1183377592	BIBKGWCGMJJYSS-UHFFFAOYSA-N	241.251	-0.391	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1C[C@@H]1C(F)F	1322689792	UAXYNXVZYLZREQ-IMJSIDKUSA-N	207.180	-0.152	50	10	BBGE	
COC1(C=NNC(=O)C(=O)NC2CC2)CCC1	1325250243	LVSRPJXRLFRRPJ-UHFFFAOYSA-N	239.275	-0.064	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)OCC(F)(F)F	1329418122	ZIFLUCDUIFQZTE-UHFFFAOYSA-N	243.141	-0.819	50	10	BBGE	
CCNC(=O)NNC(=O)c1cn(CC)nn1	1442294555	GORKCBHVVLTGEJ-UHFFFAOYSA-N	226.240	-0.738	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)c1ccnnc1	1451685510	UWVRDTROZXKOAL-LURJTMIESA-N	219.204	-0.603	50	10	BBGE	
O=C(NNc1ccccn1)c1nnc(O)nc1O	1598369188	KKSADURJTHIKDI-UHFFFAOYSA-N	248.202	-0.565	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1cccnn1	1633305688	GQPAOAOQXPPGPF-RQOWECAXSA-N	206.205	-0.186	50	10	BBGE	
C/C(C#N)=C\Cn1c(=O)c(C#N)cn(C)c1=O	1643612672	RYDSGXPKULRGLA-FPYGCLRLSA-N	230.227	-0.111	50	10	BBGE	
COC(=O)Nc1ncccc1OCC(=O)NN	1858698218	JOSSSGIMNPIGCG-UHFFFAOYSA-N	240.219	-0.371	50	10	BBGE	
O=CNCCCNC(=O)CBr	1866000359	HVYZZYGMVFGKDA-UHFFFAOYSA-N	223.070	-0.366	50	10	BBGE	
CN(N)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C	1880063487	GOBUCVNUSARCRJ-SSDOTTSWSA-N	247.295	-0.548	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)CCl	1883716431	FMVATAWCXCHWCR-UHFFFAOYSA-N	203.633	-0.593	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)NNC(N)=O	1886990755	RAQGOUXEMHOIRI-RXMQYKEDSA-N	201.226	-0.642	50	10	BBGE	
O=C(F)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	1887185611	AMUHVYFWFRLYGM-NTSWFWBYSA-N	222.241	-0.853	50	10	BBGE	
CCNC(=O)CNC(=O)C=CC(=O)Cl	1893411340	WAHAPXXAHUUTPD-UHFFFAOYSA-N	218.640	-0.440	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1893460645	HUSRJKUPUJOUAY-JKUQZMGJSA-N	221.640	-0.736	50	10	BBGE	
NCc1nc(=NC(=O)[C@@H]2C[C@@H]2Cl)s[nH]1	1893468953	DHBDZOBRPJYXQB-DMTCNVIQSA-N	232.696	-0.016	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)[C@@H](O)CO	1893505469	VYFTXAIWVLYKRU-KXQHVCLCSA-N	221.640	-0.834	50	10	BBGE	
C[C@@H](O)CCCN(C)C(=O)C1(B(O)O)CC1	1899927351	PMXQJSPKKNIFDN-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
C[C@H](COC[C@H]1CCCN(C)C1)C(=O)NN	1901444524	ZWWBUVPHTQYTFK-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC12COC(C(=O)NNC(N)=S)(C1)C2	1904625350	XIHWNGVSOZZZDM-UHFFFAOYSA-N	215.278	-0.580	50	10	BBGE	
C[C@@]12CN(CC(F)(F)C(=O)NN)C[C@]1(CO)C2	1906340781	OZOBHADLIFWBMZ-BDAKNGLRSA-N	249.261	-0.684	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907250381	VYUCPZLDYJNJBX-HWUMTFDVSA-N	241.335	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2C(C)C	1908897687	FPQLTHPRRNJWPX-GARJFASQSA-N	240.351	-0.078	50	10	BBGE	
C[C@H](CN1CC=CC[C@@H]1CO)C(=O)NN	1909020138	ZCOIYYYRBPMALZ-RKDXNWHRSA-N	213.281	-0.765	50	10	BBGE	
CN1CCNC[C@@H]1C(=O)NC1CC(Cl)C1	1909250076	HNAHLNPUYNZWFV-AMDVSUOASA-N	231.727	-0.224	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1ncccc1B(O)O	1909569729	SSKCEGWCQPLCNW-BDAKNGLRSA-N	238.071	-0.197	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@H]2C[C@H](N)C2)CC1	1917092465	XMSUJVNPRLSYOW-MGCOHNPYSA-N	241.316	-0.038	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)C(F)(F)F	1923181637	BBOFJNDAMVOGMG-UHFFFAOYSA-N	226.154	-0.389	50	10	BBGE	
C[C@H](C(=O)NNC(=O)C(F)(F)F)N(C)C	1923405594	WUAALRKBVIGWSG-SCSAIBSYSA-N	227.186	-0.354	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)C(Cl)Cl	1923809674	QXLAFVRYDZISRN-BYPYZUCNSA-N	232.088	-0.339	50	10	BBGE	
O=S1(=O)CCON(C[C@H](O)CCl)CC1	1928669312	FLZSHXWBLOGABC-SSDOTTSWSA-N	243.712	-0.752	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2nncn2C)C1	1928753426	QFNWNACCJQZNHT-HTQZYQBOSA-N	229.715	-0.174	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)OCC[C@H]1C	1929659126	JDQUIBBMLCTZLH-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
O=C1CN([C@@H]2[C@H]3CCOC[C@@H]32)CC(=O)O1	1930475652	FRYPIGXHTZUBNR-MHYGZLNHSA-N	211.217	-0.593	50	10	BBGE	
C[C@H](O[C@H]1COCC[C@@H]1C)C(=O)NN	1932290827	OUEYMUUPKVSUSA-FXQIFTODSA-N	202.254	-0.194	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088669	PUFBHKMMSPSRJM-AATLWQCWSA-N	227.308	-0.685	50	10	BBGE	
CC(C)NC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1936092725	ZPGOKYONFYNPKH-JGVFFNPUSA-N	245.348	-0.130	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](C)C(F)(F)F	1938547966	PBVGRBUCCOGPHB-PHDIDXHHSA-N	243.229	-0.126	50	10	BBGE	
C[C@@H](CN1CCC[C@@H]1C(=O)N(C)C)C(=O)NN	1940291586	MZOIHBUXTDVFLO-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
Cc1cn(C[C@H]2C[C@@H]2C(=O)NN)nc1[N+](=O)[O-]	1941085747	FRDSJAUUWHKZBW-RQJHMYQMSA-N	239.235	-0.274	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN(C2CC2)C1=O	1941087727	CTIRFNZYBYVJEG-VXNVDRBHSA-N	238.291	-0.488	50	10	BBGE	
CC(C)n1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941094629	YWFAOACILSMMBI-DTWKUNHWSA-N	238.291	-0.143	50	10	BBGE	
CN1CCC[C@@H](N2CCC(O)(C#N)CC2)C1=O	1951113181	MATKAVALRHKNJW-SNVBAGLBSA-N	237.303	-0.042	50	10	BBGE	
COc1ccnc(O)c1[C@H](N)[C@@H](O)C#N	1953061899	ZQOIYTYLDGZQFR-YLWLKBPMSA-N	209.205	-0.320	50	10	BBGE	
N#C[C@@]1(O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1	1954523299	CQIIHCHONOSLPN-RNLVFQAGSA-N	201.247	-0.304	50	10	BBGE	
CC(=O)NNS(=O)(=O)C[C@@H](C#N)C(C)C	1962350727	GFQFAIIOSJGRQL-MRVPVSSYSA-N	233.293	-0.247	50	10	BBGE	
CCN(CCCCO)C[C@H]1C[C@H]1C(=O)NN	1976239161	GCJFTWFHOLRMBV-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C(CO)CC1	1980960559	HQQWLWHEANFDPU-VIFPVBQESA-N	227.308	-0.231	50	10	BBGE	
COCc1nccn1[C@@H](COC)C(=O)NN	1985660403	RNBZEMAEWYSGBY-ZETCQYMHSA-N	228.252	-0.793	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]21	1987061796	OWIDHUYCXZJMBU-HLTSFMKQSA-N	227.308	-0.278	50	10	BBGE	
CCN1[C@H](C)CN([C@H](C)C(=O)NN)C[C@H]1C	1987310945	XRKSYKHHECUJRP-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
O=C1CN(CC2COCCOC2)CC(=O)O1	1987695275	JOOPQOVMWPLLGN-UHFFFAOYSA-N	229.232	-0.965	50	10	BBGE	
NNC(=O)CN1CCC[C@H]1C1CCOCC1	1989439029	AZJNQXULJUEWOS-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1CC2(CC(F)C2)C1	1990772394	JIUQOCVYOBXZQA-UHFFFAOYSA-N	229.255	-0.412	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)NCC=CB(O)O	1991328256	DLQXQQSKHVFOCI-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
NCCN1CCN(C(=O)/C=C/C(=O)Cl)CC1	1991706744	STASTCPBCOSVAD-OWOJBTEDSA-N	245.710	-0.589	50	10	BBGE	
C=C(CN1CCOC[C@]1(C)COC)B(O)O	1992147895	PGQKZGSIPFTSIU-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
C[C@H]1CCCC[C@@H]1C(=O)NCC#CB(O)O	1992153951	UEAFMQPEVDSKGI-UWVGGRQHSA-N	223.081	-0.056	50	10	BBGE	
COCC[C@@H](COC)N(C)CCCC(=O)NN	2001424101	AMUVIDAXXQXDIS-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(CC2(C(=O)NN)CC2)C1	2001934708	WRMPXGLELARJCW-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1Cc2cnn(C)c2C1	2003026965	JPAJGSLXXYPWGL-SNVBAGLBSA-N	237.307	-0.250	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CO[C@@H]1CCOC1	2003505662	FYFMSBNRKSWUJB-SSDOTTSWSA-N	240.263	-0.671	50	10	BBGE	
OB(O)c1cnn(CCCCn2ccnc2)c1	2003626896	FSZSICGSRNTDFI-UHFFFAOYSA-N	234.068	-0.760	50	10	BBGE	
Cc1nc(N2CC[C@H](C)[C@@H]2C)ncc1B(O)O	2004972652	IPWPWZCELYOTKL-CBAPKCEASA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2005808910	QNFBXIZKEPLXRT-PHGLEFOZSA-N	230.076	-0.394	50	10	BBGE	
C[C@H]1CCC[C@H]1Cn1cc(B(O)O)ccc1=O	2008840255	JSJLYGDFYBKRHL-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cnc([N+](=O)[O-])c1	2008866514	IPEXZUFCGRQPGJ-UHFFFAOYSA-N	249.177	-0.193	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H](C2)[C@@H]1CO	2008975646	RRLRQGOWVCXYQL-QHZLYTNSSA-N	241.335	-0.154	50	10	BBGE	
COC[C@H](OCCOCCC1CC1)C(=O)NN	2012314978	ITNOYZDJPVRVER-JTQLQIEISA-N	246.307	-0.175	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ncc(F)cc1B(O)O	2014928469	JJGXWRJXTRGIRR-RCOVLWMOSA-N	241.027	-0.686	50	10	BBGE	
COCCN(C1COC1)[C@H](C)[C@@H](C)C(=O)NN	2018182721	SQNOHVQPQQKOOM-RKDXNWHRSA-N	245.323	-0.652	50	10	BBGE	
CC[C@@]1(C)COCCN1CC(=O)NNC(C)=O	2019212699	LPNYPAKDCINYAW-NSHDSACASA-N	243.307	-0.345	50	10	BBGE	
C=C(CN1C[C@@H](COC)OC(C)(C)C1)B(O)O	2021157870	SJFUVOUHUNTHDD-JTQLQIEISA-N	243.112	-0.320	50	10	BBGE	
O=C(Cc1ccc(F)cc1)NCC#CB(O)O	2021164124	CKLOKUPMRYGHES-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cccc(B(O)O)c1	2022200442	UJEYDZRKMRFTRP-UHFFFAOYSA-N	237.039	-0.078	50	10	BBGE	
CN(C)C(=O)N1CCCc2ccc(B(O)O)cc21	2028509816	PJNRVPXSKJWKLC-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
Cc1ccoc1C(=O)Nc1ccc(B(O)O)cn1	2040763150	MKAPZDACDQGLQV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccnc(N2[C@H]3CC[C@H]2COC3)c1B(O)O	2052472267	QHISSFNAUQYICC-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
Cc1ncnc(N(C)C[C@]2(C)C[C@H]2C)c1B(O)O	2052557854	VJWISNUTAPJHRL-PELKAZGASA-N	249.123	-0.053	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)cc1C=O	2060177371	YOAVPLLFHWPFLE-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1C[C@@H]2CC[C@H]2C1	2068701092	CJSKQJNBSBANAC-QWRGUYRKSA-N	247.103	-0.036	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)c1ncc(B(O)O)c(C)n1	2079405973	QRJXZSWKGJBOKO-ZJUUUORDSA-N	249.123	-0.053	50	10	BBGE	
C[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ncc(B(O)O)cn1	2084422047	LYVWBIPMENAGOL-GUDFOSOFSA-N	247.107	-0.076	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2086992304	YQEZORQMKPMUPI-LNRQSERFSA-N	249.050	-0.066	50	10	BBGE	
Cc1nc(N2C[C@H]3CC[C@@]3(C)C2)ncc1B(O)O	2087040419	HJEAHHUTBCHXPJ-SKDRFNHKSA-N	247.107	-0.299	50	10	BBGE	
C[C@H](CN(C)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)NN	2211533124	UZUFUGOTHYPDCN-DOLQZWNJSA-N	227.308	-0.136	50	10	BBGE	
Cc1cnc(OC(C)(C)CN)cc1B(O)O	2212599630	LPNNRJBXKIDKBM-UHFFFAOYSA-N	224.069	-0.814	50	10	BBGE	
CCO[C@H](C)CN=c1ccc(B(O)O)c[nH]1	2212613108	RXQNSZKGWNNFLM-MRVPVSSYSA-N	224.069	-0.980	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2OC[C@@H]3CCC[C@H]32)n1	2213221148	JDMVOKGYLFXMLB-AEJSXWLSSA-N	236.080	-0.622	50	10	BBGE	
CCC[C@@H](CN)COc1ncccc1B(O)O	2217168527	VDNRIZKWHOAFNQ-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
C[C@@](CN)(Nc1cc(B(O)O)ccn1)C1CC1	2217180615	IORXBRPEBBGPES-NSHDSACASA-N	235.096	-0.699	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCN2C)cc1B(O)O	2223641092	PRTQKHPYCPDNTO-SNVBAGLBSA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H](O)[C@H]2C2CC2)nc1	2223643985	COVMAKIXQCJLCY-ZYHUDNBSSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N(C)[C@H]2CCCNC2)cc1B(O)O	2223648230	IVUNGGCUNLQTTF-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1Nc1ncccc1B(O)O	2223667639	RCBBGYHARGSVAT-MWLCHTKSSA-N	249.123	-0.487	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3ncccc3B(O)O)C[C@H]12	2223677938	VIIVGCVRXGPCOE-FTYOSLGDSA-N	247.107	-0.701	50	10	BBGE	
COC1(COCCC(=O)NN)CCC1	2241410359	BFOFHMJNWCFVFB-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
N[C@@H](CC(=O)O)C(=O)N[C@H]1C[C@H](Cl)C1	2241652905	ADAJXJOLPBRERZ-ZLUOBGJFSA-N	220.656	-0.326	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)C1	2243362535	SJEUEGNZEFVVOA-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)C1(B(O)O)CC1	2243363025	ADDITSUTCMQFJV-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NC(=O)C1(B(O)O)CC1	2243363170	BWDPSULGLUEHRV-SFYZADRCSA-N	229.085	-0.483	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1N	2243382942	SNQAJSKUHIPNMK-HXFLIBJXSA-N	226.085	-0.955	50	10	BBGE	
NC1CCN(C(=O)C2CC(B(O)O)C2)CC1	2243383569	ZEVLWXPGUUCHAV-UHFFFAOYSA-N	226.085	-0.811	50	10	BBGE	
NCc1csc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2243392058	QVYUOZAZUNBLLM-WDSKDSINSA-N	241.081	-0.597	50	10	BBGE	
CC[C@H](CO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397044	UVBLIKLWQCDSHT-IWSPIJDZSA-N	229.085	-0.531	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)[C@H]1C[C@@H]1B(O)O	2243404183	KQCDFXAEHASQLO-ZTKNNBQKSA-N	225.053	-1.000	50	10	BBGE	
O=C(NCCCCF)c1sncc1B(O)O	2243414561	CYXFTYAXCWVQQM-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
NC1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243415637	ZEVLWXPGUUCHAV-ZKCHVHJHSA-N	226.085	-0.811	50	10	BBGE	
CCC[C@H](O)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243427432	VHPFAZPKMUXBNB-XHNCKOQMSA-N	229.085	-0.483	50	10	BBGE	
C=CC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243751782	AUNZXLXHUWJJLB-LURJTMIESA-N	227.025	-0.861	50	10	BBGE	
CP(C)(=O)C1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2244278931	PMYWOXLVGGCJLM-YUMQZZPRSA-N	245.024	-0.317	50	10	BBGE	
O=C(N1CC[C@@H]2COC[C@@H]21)C1(B(O)O)CCC1	2247751110	STRVFKYENBBJTO-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
O=C(NCC[C@H]1CCNC1)C1(B(O)O)CCC1	2247753567	AUJZVLGAVXMRRY-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)C1(B(O)O)CCC1	2247757781	RUMMNXMIJUPLAO-WAAGHKOSSA-N	239.080	-0.321	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCCC(F)F	2247763934	OYZFJUORHQFMTI-UHFFFAOYSA-N	246.022	-0.910	50	10	BBGE	
C[C@@H]1CNCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247790261	GIKWPXIWEUMOCR-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCN[C@@H]2CC[C@@H]21	2247804071	FAZIIRFDOHUQGZ-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@@H](CO)CC1CC1)C1CC(B(O)O)C1	2247809601	ZWZVALKBYNKBFH-UDNWOFFPSA-N	241.096	-0.483	50	10	BBGE	
CN(CC1CCNCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247810463	XOSMHMPBINMUGE-UWVGGRQHSA-N	240.112	-0.693	50	10	BBGE	
COC[C@@H]1CCCCN(C(=O)C#CB(O)O)C1	2247840963	CUNAAFNZPMNANT-SNVBAGLBSA-N	239.080	-0.723	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850354	NHKHCDSEYYSMQB-JGVFFNPUSA-N	236.080	-0.530	50	10	BBGE	
C#CCN(C)C(=O)c1cccc(B(O)O)c1F	2247871287	YVXMYILVFJCOMY-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
O=C(NCC1(F)CCC1)c1coc(B(O)O)c1	2247871445	BLEMQFORHYWLCH-UHFFFAOYSA-N	241.027	-0.419	50	10	BBGE	
O=C(NC[C@H]1CCCNCC1)C1(B(O)O)CC1	2247872140	NNNBKBLRWYSULJ-VIFPVBQESA-N	240.112	-0.501	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1C(=O)C1(B(O)O)CCC1	2247876996	AGQABUHKDLQSNT-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247886385	BDVPHOIKEWRBSO-RNJXMRFFSA-N	241.052	-0.987	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(CC(O)C2)C1	2247886392	BFLDTNATIQDHFK-QMFGVRBNSA-N	239.080	-0.777	50	10	BBGE	
C[C@]1(CCO)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899936	RPKKBWOZFWWNAE-WCABBAIRSA-N	241.096	-0.530	50	10	BBGE	
CC[C@@H]1C[C@@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248575098	DYLNOTRWLXPKPU-LDWIPMOCSA-N	241.052	-0.637	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1C[C@@H]1C(=O)O	2248587655	SEUZZOBVIOSIOR-XVMARJQXSA-N	241.052	-0.781	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C=CCOC2)c1F	2249210893	JIFVUSLPCDBJLH-ZETCQYMHSA-N	239.011	-0.766	50	10	BBGE	
C=CCN(C(=O)c1cc(B(O)O)co1)C1CC1	2249418283	RHHWWYNOXVDHKU-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2249559878	WTYNPDNMPGLLJT-UTINFBMNSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)CCCCN1CCn2cncc2C1	2249738844	OHXCZKZTAJNTLE-UHFFFAOYSA-N	237.307	-0.141	50	10	BBGE	
CC1(C)C[C@H](C(=O)NCCC#CB(O)O)CO1	2250004742	OMRXQMUDKZGHFC-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2ncncc2B(O)O)C1	2255495173	AGNLWPGKEZZYKD-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC=CCC1	2255498453	RHKNGJRMBIPAIK-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
CC(C)c1nccn1CCNC(=O)C#CB(O)O	2255670406	YDUFFPIVXUUUQR-UHFFFAOYSA-N	249.079	-0.862	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ccc(B(O)O)cn1	2255716291	BQBWARZPANTAJY-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccnc(C(=O)N2CCC[C@H]2C)c1B(O)O	2255785856	QGIDGKJVVOTJNS-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
CCc1cc(NC(=O)c2cc(B(O)O)co2)n[nH]1	2258127735	KUYHZZMTMQXORZ-UHFFFAOYSA-N	249.035	-0.503	50	10	BBGE	
Cc1cncc(NC(=O)c2cc(B(O)O)co2)c1	2258128658	RMWVLBRYYJXELV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1nnccc1Cn1nc(C)c(B(O)O)c1C	2261265758	MMIDKMQALDXOJL-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)CCCl	2297136008	WFBVHEAZGXPBQJ-DSYKOEDSSA-N	227.713	-0.086	50	10	BBGE	
CO[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368681	RQSUNXLAVZAUSM-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CCC[C@]1(O)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371385	KIAOJOCEIQILMF-SJQPAMGKSA-N	241.096	-0.483	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H](O)[C@H]1C2)C1(B(O)O)CCC1	2298375189	YCEAVUCTKYPCGN-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298377103	DQIQWUNKQVLYOM-SGIHWFKDSA-N	240.112	-0.375	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CCOCCO	2302059017	IBNBEUQGLNQQDM-JTQLQIEISA-N	247.339	-0.524	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C[C@H]2[C@H]2C[C@H]32)nc1	2312612469	ZIGXSSXQJZUDIB-RPQMDJCFSA-N	245.091	-0.387	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCCNCC1	2317161377	CNZTUGUWZGCSCU-UHFFFAOYSA-N	245.091	-0.962	50	10	BBGE	
CC1(Nc2ccc(C=O)c(B(O)O)c2)CC(O)C1	2317308243	IXDCVMQWVBEXMR-UHFFFAOYSA-N	249.075	-0.496	50	10	BBGE	
NCC12CC(CCN1c1cc(B(O)O)ccn1)C2	2318077453	FXIQRPYAZBGZLA-UHFFFAOYSA-N	247.107	-0.921	50	10	BBGE	
N#CC(=CNCC(=O)O)C(=O)NCCCCl	2325261483	PDKALYKRLFAIIS-UHFFFAOYSA-N	245.666	-0.187	50	10	BBGE	
NNC(=O)CCCCn1cccnc1=O	82468346	JDLCVZCJLGPICD-UHFFFAOYSA-N	210.237	-0.597	50	10	BBGE	
CC(=O)NNC(=O)CSCCCN	85316255	YUKMELQZARENII-UHFFFAOYSA-N	205.283	-0.764	50	10	BBGE	
COc1ccc([C@@H](C)NC(=O)C(=O)NN)cc1	90310948	QBZKTGHSQQOBOS-SSDOTTSWSA-N	237.259	-0.138	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@@H](O)C2)on1	110593824	VEDSVXUDXBMUFN-SSDOTTSWSA-N	240.263	-0.765	50	10	BBGE	
CCc1cccc(CC(=O)NNC(=O)CO)c1	182769838	UBQNYXBPZCAGRL-UHFFFAOYSA-N	236.271	-0.069	50	10	BBGE	
Cc1cnn([C@@H]2CCCCO2)c1B(O)O	203706130	VWHLNQRRCVKGAR-QMMMGPOBSA-N	210.042	-0.430	50	10	BBGE	
NCc1csc(-c2ccc(B(O)O)cc2)n1	211397717	JVMRMLRSNURKHZ-UHFFFAOYSA-N	234.089	-0.051	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1[C@H](C)[C@@H](C)C(=O)NN	221308345	CIRAZEUGWCEXMM-JLIMGVALSA-N	245.323	-0.918	50	10	BBGE	
NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCl	232296215	OQFCGWNUXKNDIS-LURJTMIESA-N	240.712	-0.495	50	10	BBGE	
C[C@@H](CNS(=O)(=O)CCCl)[S@](C)=O	232301387	YNOIUUOZHSMXRM-QTTZVWFDSA-N	247.769	-0.088	50	10	BBGE	
CC[C@H](C)N(C)[C@@H](COC)C(=O)NN	232419071	IDURBJNDLAEUEW-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
CCOC1CC(N2CC(=O)OC(=O)C2)C1	233744050	ZTCMACDOVZNTAI-UHFFFAOYSA-N	213.233	-0.061	50	10	BBGE	
COc1ccnc(NNC(=O)C(C)(C)N)n1	237112080	GZYNSEQUIAHXOA-UHFFFAOYSA-N	225.252	-0.334	50	10	BBGE	
CCOC(=O)c1cncc(B(O)O)c1C	238275032	HMLFRALKSZLFBM-UHFFFAOYSA-N	209.010	-0.753	50	10	BBGE	
CN1C(=O)NC[C@@H](Br)[C@H]1N	238337948	JASMPBIMWOUCCK-DMTCNVIQSA-N	208.059	-0.310	50	10	BBGE	
Cc1nc(N)c2ncn(C[C@@H](O)C#N)c2n1	238523297	ZJOPGISITJHXIJ-LURJTMIESA-N	218.220	-0.399	50	10	BBGE	
OB(O)c1ccc(O)c(Br)c1	238624113	IAAQDHBNKYEFFD-UHFFFAOYSA-N	216.827	-0.166	50	10	BBGE	
O=C(CS)Nc1cccc(B(O)O)c1	238626118	BBVFRPOEQDTAJS-UHFFFAOYSA-N	211.051	-0.765	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)C1	253201483	UMOPINCQEPDIFS-LPEHRKFASA-N	229.324	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](C)N(C)[C@H](C)C1	253291605	QTSWENMGJSORIN-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
Cn1c(=O)oc2cc(C(=O)NN)ccc21	258935910	BNHSUWXAHWBWPS-UHFFFAOYSA-N	207.189	-0.265	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1[C@@H]2COC[C@H]12	306931931	DTMYSWZTYKNTEN-POBXSPIYSA-N	232.667	-0.057	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)[C@@H]1CCOC1	309012995	PTPQCGNEQYBUMK-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)c1cccc(CN2CC(C(N)=O)C2)c1	382060464	DTCNLVXZCAYSFA-UHFFFAOYSA-N	248.286	-0.793	50	10	BBGE	
CCOC1CN(CCCCC(=O)NN)C1	383048238	FXUUMURXVGDKBJ-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCCO	384812945	DSZHHKJWINPEIM-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
COCCOCCN(C)[C@H](C)CC(=O)NN	390633210	JBVKSKIYALQSGP-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](CO)C1	395811543	LAVGILVZTCVLRY-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CC(=O)Cc1ccc(/C=C\C(=O)O)c(B(O)O)c1	396141269	YYSIGKJDDOIPKV-PLNGDYQASA-N	248.043	-0.404	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CCCCC(=O)NN	399406020	IKAJQFMRVXIWNV-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
O=C(C[C@H]1CCOC1)Nc1ccc(B(O)O)cc1	404976672	YNRUYTCMUISGPB-SECBINFHSA-N	249.075	-0.269	50	10	BBGE	
CCC[S@@](=O)NCc1cccc(B(O)O)c1	405045290	RNJYNMBUMOSCAB-MRXNPFEDSA-N	241.121	-0.470	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@](C)(CO)C1	688028031	WNTASIMXGDVFBY-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)CCC(=O)O)CC1	692079792	SDPBSAQXJMFBME-VIFPVBQESA-N	242.275	-0.437	50	10	BBGE	
Cc1nn(C[C@H]2CCCN2C)c(C)c1B(O)O	694277301	SNEFSDXBKYHEBA-SNVBAGLBSA-N	237.112	-0.726	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]2C[C@H]21)C(=O)C(=O)NN	694428492	ACNHTHNFZUEVQP-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H](CO)C1	696773336	CAQRWRWBCKNNSQ-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
COCCN(CCF)CCC(=O)NN	697055377	OBRLCUSLMMELGJ-UHFFFAOYSA-N	207.249	-0.716	50	10	BBGE	
CN1CCOC[C@@H]1CNC(=O)NC(=O)CCl	700171364	XEMRCGCPMIMQOM-ZETCQYMHSA-N	249.698	-0.618	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1CCN(C)C	701450771	XQTHLQIDWHLTRE-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
COc1ccccc1/C=C\C(=O)NCB(O)O	702030432	NDCHWCQXPOXIIS-SREVYHEPSA-N	235.048	-0.163	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)C(=O)NN)CCS1	707277577	BTMTZDRTVVOGFE-ZETCQYMHSA-N	231.321	-0.424	50	10	BBGE	
CN(Cc1ncnn1C)C[C@H](Cl)C(=O)O	707611389	VBFKWXIPLLBTDU-LURJTMIESA-N	232.671	-0.061	50	10	BBGE	
COC[C@@H](CCN1CC(=O)OC(=O)C1)OC	709913690	PZWZGGRHMAFENG-MRVPVSSYSA-N	231.248	-0.577	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)CCO1	720471645	JUUBRBSZZFNBCS-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CS(=O)(=O)C[C@H]2C1	725701847	QJMYLUYOXUWNBV-RNFRBKRXSA-N	237.708	-0.272	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/[C@@H]1CCCO1	819154267	GPQSMROMNVKQTC-KPJROHGDSA-N	213.237	-0.318	50	10	BBGE	
CO[C@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)C1	857105186	GFDCXSLGXINREM-IUCAKERBSA-N	243.307	-0.490	50	10	BBGE	
CN(NC(=O)Cn1ccc(C(F)F)n1)C(N)=O	860516617	HDGSVVXITQJEKU-UHFFFAOYSA-N	247.205	-0.138	50	10	BBGE	
C[C@H](NC(N)=O)C(=O)NN(C)c1ccccn1	862749478	YRNJKFKQVRNIAB-ZETCQYMHSA-N	237.263	-0.394	50	10	BBGE	
COc1ccnc(NNC(=O)[C@@H]2C[C@H]2OC)n1	930077183	OMAQUVODQAIEDE-RNFRBKRXSA-N	238.247	-0.037	50	10	BBGE	
COCCN(C)NC(=O)C1CC(=O)C1	1449377018	UMHUBNTVKUMKFB-UHFFFAOYSA-N	200.238	-0.425	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cccnn1	1536594908	MLRYWAZIXIDNTE-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(O)CCSC1	1568942367	QGWLUVPJRFQGLE-SECBINFHSA-N	234.321	-0.536	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@H](O)C1CCC1	1625911865	FOPIGHVKUZNGKD-ZETCQYMHSA-N	215.253	-0.550	50	10	BBGE	
NC(=O)c1ncccc1C(=O)NNC(=O)C1CC1	1628293702	FLPAMDVVXMLAGN-UHFFFAOYSA-N	248.242	-0.649	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)c1ncon1	1648116386	UJNBBHNKTJGPNO-ONEGZZNKSA-N	222.204	-0.037	50	10	BBGE	
C[C@@H](Cl)CNC(=O)CNCC(=O)O	1866110209	SOAWHPZFBOGLAP-RXMQYKEDSA-N	208.645	-0.596	50	10	BBGE	
O=C([C@@H]1C[C@H]1Br)N1CCNNCC1	1877403386	RPZBNMDQRQCCDO-RNFRBKRXSA-N	248.124	-0.294	50	10	BBGE	
NC[C@@H](O)CC(=O)NC1CC(Cl)C1	1881719749	VSUWWJILTYLLBU-AHXFUIDQSA-N	206.673	-0.418	50	10	BBGE	
O=S(=O)(CCl)N1CC2(CC[C@H]2O)C1	1882207720	KIKTTXGJAIMJSU-ZCFIWIBFSA-N	225.697	-0.031	50	10	BBGE	
O=C(CCCCl)NCC[C@@H](O)CO	1882383664	VNQBJEQEYQCSSM-SSDOTTSWSA-N	209.673	-0.135	50	10	BBGE	
NCC=CCNC(=O)C=CC(=O)Cl	1883627831	ZVXRHTGFDOBJKC-UHFFFAOYSA-N	202.641	-0.061	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H]2CS(=O)(=O)[C@@H]2C1	1887084478	RCISUVXNSIRVFH-BIIVOSGPSA-N	234.708	-0.154	50	10	BBGE	
O=C(CCn1cnnc1)NOCCCl	1888301123	WVHMGJHEXMXKJS-UHFFFAOYSA-N	218.644	-0.045	50	10	BBGE	
CC1CC(C#N)(C(=O)NN(C)S(C)(=O)=O)C1	1901347767	YEYBCKKOTINBNT-UHFFFAOYSA-N	245.304	-0.151	50	10	BBGE	
C[C@H](COCC1COCCOC1)C(=O)NN	1901438408	FPBUVFYNDDWYJR-MRVPVSSYSA-N	232.280	-0.708	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	1901870544	QLGUIPUAKKFCEA-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CO[C@@H]1COCCN(CCCC(=O)NN)C1	1904647864	ZTNJPTULGBCYEM-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cocc1B(O)O	1904913247	PTMXCBDGVGXRBB-IZLXSQMJSA-N	227.000	-0.810	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]12COC[C@@H]1C2	1909982303	GFGZXDGDXZQWFZ-ONGXEEELSA-N	241.291	-0.878	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@@H](C2)C3)O1	1910351847	CRDZVXLFBLFTHH-YTWAJWBKSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ccncc2B(O)O)CCO1	1911420652	TXNTVBQLJZDHFO-BDAKNGLRSA-N	237.064	-0.292	50	10	BBGE	
O=C(NNCCO)c1cccc(O)c1O	1929836681	NPZNEQQPYALLPY-UHFFFAOYSA-N	212.205	-0.676	50	10	BBGE	
O=C(NNCCO)c1ccc(CO)cc1	1929839261	ANYNQZTYKRBPIB-UHFFFAOYSA-N	210.233	-0.594	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@H](F)C1	1932120196	KIAYQWVPICMYKO-RITPCOANSA-N	203.217	-0.627	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C(F)(F)F)C1	1932132879	AINKYSABVYUJCM-SCSAIBSYSA-N	211.187	-0.141	50	10	BBGE	
CC(C)CN(CCO)[C@@H](C)C(=O)NN	1933488836	UOLZZETZEJJMIX-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
CCn1ccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1936081647	ABJUDZLTWOAVRS-JGVFFNPUSA-N	224.264	-0.704	50	10	BBGE	
CCOC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936093183	BLNJBBSCXRLPBI-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CO[C@]1(C)CCN(CCOCC(=O)NN)C1	1936535268	NKZBUOAPBMGAHI-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@]2(CO)C1	1937052426	ASOZXGRIHVHMFG-ONGXEEELSA-N	227.308	-0.539	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1[C@H]1CCOC1	1941372376	IZKXJQBEBHCQMB-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
CO[C@H](CN(C)CCOCC(=O)NN)C1CC1	1941777481	XJEWVZKQQQBKKR-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1943089433	NFQOSIDSNLGVMU-MIMYLULJSA-N	241.335	-0.152	50	10	BBGE	
O=C(NNCCO)[C@@H]1COc2ccccc2O1	1944215581	JYFPJRULGMVGHG-JTQLQIEISA-N	238.243	-0.561	50	10	BBGE	
NNC(=O)C1(CN2CCCCC[C@H]2CO)CC1	1945882239	DRQSDHJFZNUWRE-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
Cn1cnc(Cl)c1[C@H](N)[C@H](O)C#N	1953042838	VVSRDLWXSVEXFS-RFZPGFLSSA-N	200.629	-0.042	50	10	BBGE	
CN(CC1(S(C)(=O)=O)CC1)C(=O)NN	1956510446	FJFBRVLULFHMEI-UHFFFAOYSA-N	221.282	-0.921	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H](O)C1	1956714770	YDFJCNIHOCNKFV-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)NNC(=O)c1cnn2c1CCC2	1960692937	KSLCNPROFAOFLF-UHFFFAOYSA-N	209.209	-0.858	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CC(F)(F)C(=O)NN	1979617297	YULSCZIEFBWRRY-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCSC1	1981410297	XVOBIAJKWTVPGD-MRVPVSSYSA-N	239.109	-0.902	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	1981410329	YGYSKUCOKDSBBA-LDYMZIIASA-N	218.065	-0.392	50	10	BBGE	
CSC[C@H](C)N(C)c1ncncc1B(O)O	1981417100	WZVZUFNIMSLOBF-ZETCQYMHSA-N	241.125	-0.656	50	10	BBGE	
CCOC[C@@H](C)Oc1ccc(B(O)O)cn1	1981430857	SPTRFDCSOMDSFN-MRVPVSSYSA-N	225.053	-0.435	50	10	BBGE	
CCN(c1ncc(B(O)O)c(C)n1)C1CC1	1981447470	OCCLSMXEQVFWQA-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
C[C@@H]1OCC[C@H]1Sc1ncc(B(O)O)cn1	1981454082	CTWZXKNZVOYXOP-POYBYMJQSA-N	240.093	-0.574	50	10	BBGE	
C[C@@H]1COCC(=O)N1CC(C)(C)C(=O)NN	1982045556	YVQGNMYSLXXHQF-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1CCCC1	1984101705	NSRMCOGJYHQBQM-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
C[C@H](F)[C@@H]1CCCN1CCOCC(=O)NN	1985220887	MNZSAXUVQWPUDA-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H](F)C1	1990774248	GMUUWPOPXMZGEJ-VIFPVBQESA-N	231.271	-0.022	50	10	BBGE	
COC[C@H](O[C@@H]1COCC1(F)F)C(=O)NN	1991603235	MMONPZCKKUIGMO-NTSWFWBYSA-N	240.206	-0.958	50	10	BBGE	
CN(CP(C)(C)=O)c1ccncc1B(O)O	1992349355	ZWMFAGJYTWZMTP-UHFFFAOYSA-N	242.024	-0.222	50	10	BBGE	
C[C@]1(O)CN(C(=O)C=CC(=O)Cl)CC[C@H]1O	1993583112	OMDZQHYAUAWQRH-XCBNKYQSSA-N	247.678	-0.348	50	10	BBGE	
C[C@H](CN1Cc2cncnc2C1)C(=O)NN	1994943931	ZWWZXTOMIGBNTD-SSDOTTSWSA-N	221.264	-0.582	50	10	BBGE	
NNC(=O)C(=O)N(CC1CCOCC1)C1CC1	1997270251	NHWPPWUKBMULHR-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
NNC(=O)c1coc(CN2CCO[C@@H]3C[C@H]32)n1	2004487654	ZNGBPKYIAALEPO-HTQZYQBOSA-N	238.247	-0.749	50	10	BBGE	
OB(O)c1ccc(N2CC(F)(C3CC3)C2)nc1	2004919690	CAGULJVQFRQGCO-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)[C@H](C)[C@@H]1C	2004921433	VZLZYWKBGNVSMU-IWSPIJDZSA-N	235.096	-0.363	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCCCC2)n1	2005015412	AFGXYSDKZIVFDJ-UHFFFAOYSA-N	235.096	-0.236	50	10	BBGE	
COC[C@]1(F)CCN(CC2(C(=O)NN)CC2)C1	2009642138	MESCNYPSJBKTHL-NSHDSACASA-N	245.298	-0.183	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	2013678030	UUYCHFISYSJYEP-YTWAJWBKSA-N	240.351	-0.221	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cc(B(O)O)ccc1F	2014604792	LIISTESJTDYFHW-GMSGAONNSA-N	240.039	-0.081	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2052470130	ZXBMNSXRAIJENU-MGWGEXEUSA-N	244.103	-0.148	50	10	BBGE	
O=C(Nc1ccncn1)c1ccccc1B(O)O	2079008433	JMZXLAAQJZCVCU-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC(C)(C)OC(=O)N(N)CCOCC(N)=O	2208918742	ARYWRJFXLNUFIE-UHFFFAOYSA-N	233.268	-0.401	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN([C@H](C)C(=O)NN)C[C@H]21	2210601585	YLWSUKWDNGTYLX-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
COC(=O)CSc1nccc(B(O)O)c1F	2212599752	NDVUNKDGWLNRCV-UHFFFAOYSA-N	245.040	-0.834	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2212601699	RUNUXCOHKGXQJF-JGVFFNPUSA-N	224.069	-0.403	50	10	BBGE	
C[C@@H](CCO)Nc1nccc(B(O)O)c1F	2212606592	WOWIVZWLSBEEQL-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
C=C[C@H]1CCN(c2ncccc2B(O)O)C1	2212610529	KKIBRWURWJTFFC-VIFPVBQESA-N	218.065	-0.226	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC12CCCC2	2212759864	MJWJHJLRRWAQIH-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2213022790	ADDGJNJHJHGSPS-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CC(C)N(CC(N)=O)CC1(C(=O)NN)CCC1	2216527865	IJVDHJMDPOYOHY-UHFFFAOYSA-N	242.323	-0.658	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)ccn2)CCC[C@@H]1O	2217174115	WFCWUJHQIPVLDE-GXSJLCMTSA-N	236.080	-0.523	50	10	BBGE	
CN1CCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217177421	IURZHLPKCYYQFI-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
CNCC[C@@H](C)Oc1nccc(B(O)O)c1F	2217196158	PZGGRWQJEDFHGC-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
C[C@@]1(CCOc2ccc(B(O)O)cn2)CCN1	2217196594	SVVGUVAWIKTFAK-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
COC(C)(C)CN(C)c1cc(B(O)O)ccn1	2217198767	GBZATJPPZLUARC-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC1(C)OCC[C@@H]1Nc1ncccc1B(O)O	2217204799	OZTNVTCVAUYHGY-VIFPVBQESA-N	236.080	-0.259	50	10	BBGE	
OC[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2220063511	LYTNUUWIRATCID-GFCCVEGCSA-N	249.119	-0.429	50	10	BBGE	
Cn1cccc(Oc2ncccc2B(O)O)c1=O	2223645673	YJWQJFUZDPKXBY-UHFFFAOYSA-N	246.031	-0.748	50	10	BBGE	
CC1(C)CCN[C@H]1CNc1ccc(B(O)O)cn1	2223649295	WOEZTEZWIMHEQY-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCO[C@H]1C1CC1	2223666715	KZAGKKJBKMOMNV-MNOVXSKESA-N	248.091	-0.259	50	10	BBGE	
CC[C@@H]1CNCCCN1c1cc(B(O)O)ccn1	2223674363	KNUQRWDTAGTHMP-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
O=S(=O)(NC1CSC1)N1CC(Cl)C1	2241348873	WZDMVUYJZLQOFL-UHFFFAOYSA-N	242.753	-0.141	50	10	BBGE	
C[C@@]1(NS(=O)(=O)CCCl)CCNC1=O	2242176037	DLBINJNTOQXRRE-SSDOTTSWSA-N	240.712	-0.577	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1COC(=O)C1	2242587561	PEMJAXALLTYURX-YFKPBYRVSA-N	217.608	-0.260	50	10	BBGE	
O=C(NCc1ccncn1)C1(B(O)O)CC1	2243364430	XBWNEVAYYJCBRM-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)[nH]1	2243391047	FPGZYOSEAGRBIY-NKWVEPMBSA-N	223.041	-0.803	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)[C@H]1C[C@H]1B(O)O	2243392550	UVIHMZHOJCGPBA-XHNCKOQMSA-N	229.085	-0.533	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@H]1C[C@H]1F	2243403715	BJVOBHSOSUUZDR-RQJHMYQMSA-N	243.068	-0.423	50	10	BBGE	
C#C[C@H](CCC)NS(=O)(=O)CC(=C)B(O)O	2243412878	VPJOUBCSXWLVGC-SECBINFHSA-N	245.109	-0.724	50	10	BBGE	
COC[C@H](C)N(C)C(=O)C1CC(B(O)O)C1	2243413895	PIOSRAOLORUQHV-UEJVZZJDSA-N	229.085	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@]2(F)C1	2243420800	ZNJOFMRLZJQZGX-ODHVRURNSA-N	227.044	-0.190	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CC[C@@H]2C1=O	2243496875	IQVUMCWZLMXEJF-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
C=CCN(CC)C(=O)c1cocc1B(O)O	2244205243	HOCWXMFJRZYMGI-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
COC1(COc2cc(B(O)O)cnc2C)CC1	2246738588	IOEPIASJTRIBNT-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
C=CC=CCCNC(=O)c1ccc(B(O)O)o1	2247739031	YCJJDZBXMYRVFU-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
CC[C@@H](COC)NC(=O)c1ccc(B(O)O)o1	2247741530	BFHAJTFNFOABQL-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCC[C@H]12)C1(B(O)O)CCC1	2247757130	VMMPLNVWNSTDHG-HLTSFMKQSA-N	239.080	-0.465	50	10	BBGE	
O=C(NC[C@H](F)C1CNC1)C1(B(O)O)CCC1	2247758413	VEEQXGXFYAYREZ-QMMMGPOBSA-N	244.075	-0.943	50	10	BBGE	
C=CCN(C(=O)c1occc1B(O)O)C(C)C	2247758907	XMVRWFILYFUERL-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H](C)F)ccc1B(O)O	2247760652	LJWDXCPVPSMCFQ-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
Cc1cc(C(=O)NOCC(C)C)oc1B(O)O	2247789291	SYBXAXSHCRDVAQ-UHFFFAOYSA-N	241.052	-0.415	50	10	BBGE	
Cc1cc(C(=O)NCCCC#N)oc1B(O)O	2247789617	YXVOLGWNSSMBDB-UHFFFAOYSA-N	236.036	-0.699	50	10	BBGE	
O=C(NCC[C@H]1CCOC1)[C@H]1C[C@H](B(O)O)C1	2247798511	UXZMMSKBUMDXBZ-GUBZILKMSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)C1CC(B(O)O)C1	2247799553	FIORRPJHHAVOAA-LGUIWLBCSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCCO)C1CCC1	2247799895	JIHLZVVCQAZAFN-VHSXEESVSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)CC1)[C@@H]1C[C@@H]1B(O)O	2247800518	PSKDRNVWPJHZOF-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](c2ccco2)C1	2247850908	UNEMFEVDBKTYSR-VIFPVBQESA-N	233.032	-0.389	50	10	BBGE	
CCC=CCNC(=O)c1cncc(B(O)O)c1	2247868403	TUYUQQAWPRGZAV-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247873123	FLQCHXOWMYIKEI-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)cn1C	2247874018	NVQKWKJKDCACDK-APPZFPTMSA-N	236.080	-0.815	50	10	BBGE	
O=C(N1C[C@@H](F)[C@H](CO)C1)C1(B(O)O)CCC1	2247877244	DXLDXJYQOWBGML-JGVFFNPUSA-N	245.059	-0.828	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247879067	PXNZDJRALCWKQL-BDAKNGLRSA-N	240.112	-0.230	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CC1CC1)C1COC1	2247886966	IMFLPZSATNNKEB-UWVGGRQHSA-N	239.080	-0.513	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)C1CC(B(O)O)C1	2247892580	DBOXFJXPGKWXHG-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894102	CIKYGOZKXCVQJU-GRDBIXFFSA-N	238.096	-0.955	50	10	BBGE	
C[C@@H]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247898884	IIUCIBXMDMLSHJ-PKIKSRDPSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCCO1	2247900381	WJGNVHAFEJHVRC-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247900523	XPHMCBUHOVWTGA-KATARQTJSA-N	241.096	-0.410	50	10	BBGE	
CCC(CC)(NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2248574842	VIPIJVFSJDISRY-BQBZGAKWSA-N	243.068	-0.391	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248584895	CRPPIQBPBNANIV-RQJHMYQMSA-N	243.068	-0.439	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)C1(F)CC1	2249415165	AKIGQQGNFMRRFP-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2250592468	RELGMXGGEPZREV-LPEHRKFASA-N	243.112	-0.141	50	10	BBGE	
C[C@@H](O)CN(CCOCC(=O)NN)C(C)(C)C	2250600096	HMKBJABIOHAXPV-SECBINFHSA-N	247.339	-0.526	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)n1C	2250820698	QPCUTDYELNXZDP-LJGSYFOKSA-N	238.056	-0.685	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1CO)[C@H]1C[C@H]1B(O)O	2251442700	KNONLKBGVBFAKH-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
Cc1n[nH]c(C)c1NC(=O)c1cc(B(O)O)c[nH]1	2255464081	RCJRCIINMPUENQ-UHFFFAOYSA-N	248.051	-0.713	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1CC2CC1C2	2255503539	LULPYEMNQDLSGA-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cn1C1CC1	2255506035	OBTLPEGUUFQJQL-XVKPBYJWSA-N	248.091	-0.359	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCOc2ccccc21	2255681545	TZFPRFBTHAVVDI-JTQLQIEISA-N	245.043	-0.358	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1[C@H]2CC[C@H]12	2255727507	QOZUHCNDVAJHMK-UWVGGRQHSA-N	245.087	-0.187	50	10	BBGE	
CC=C1CN(C(=O)c2cccc(B(O)O)c2F)C1	2255744547	KYFIVWPAEFIFQK-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC2CC1C2	2257487460	NEMCDCLDUGUXFG-UHFFFAOYSA-N	246.075	-0.696	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)[C@@H]2CNC[C@H]1C2	2258358271	WEWFHWRLGWIFSO-GDGBQDQQSA-N	248.091	-0.862	50	10	BBGE	
C=CC1CN(C(=O)c2cc(C)cc(B(O)O)c2)C1	2261384645	DURYFHBAPVGDFC-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369589	ZEMKGCWYQHYOHV-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
NC[C@@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369857	HQEYYCLZZLBRHC-TURQNECASA-N	238.096	-0.953	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2COC[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2298377586	WTPWSFXTMNAMRE-HSQMKRHFSA-N	239.080	-0.752	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2299249776	PNWQTTMVRCBOTA-KATARQTJSA-N	239.080	-0.613	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C=C[C@H]1CCC2	2301360306	NZIPTFZBKDMWMW-GMTAPVOTSA-N	233.076	-0.137	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(C[C@@H]1C[C@H]1C(=O)NN)C2	2301491932	JXTWTPXIZDIVHN-VEOFNUSFSA-N	239.319	-0.542	50	10	BBGE	
Cc1ccnc(N(CCF)CCF)c1B(O)O	2301661045	SOVJUGZQIHWNKG-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
CN(C)C(=O)Nc1cc(F)c(F)cc1B(O)O	2306857188	SBYWYYNEYRIHRH-UHFFFAOYSA-N	244.006	-0.262	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)[C@H]3C[C@@H]23)CC1	2309196323	NCGIUSFKQIMHMD-VPOLOUISSA-N	249.314	-0.153	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@H]1O	2317150199	BTWCHOQAWGKQOZ-QPUJVOFHSA-N	246.075	-0.945	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C[C@H]2CO)cc1B(O)O	2317309721	VILCOCDPQCBZKC-UWVGGRQHSA-N	249.075	-0.781	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccc(OC)c(B(O)O)c1	2319328737	IUKJHFLVQAJJFK-VIFPVBQESA-N	247.059	-0.110	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CCN(C)C	82544091	JZKJNGKDHIUXNV-SECBINFHSA-N	216.329	-0.506	50	10	BBGE	
C[C@@H](CN(C)CC(=O)N1CCCC1)C(=O)NN	104104871	SBTRMHXSBZLONG-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2c[nH]nn2)cn1	104646111	FHZJXQLFHDSUTH-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@@H](N)C1	110591478	XRDNWHXVQQWAKB-SECBINFHSA-N	238.291	-0.194	50	10	BBGE	
NNC(=O)c1cc(CN2CCC[C@H](O)C2)on1	110593819	VEDSVXUDXBMUFN-ZETCQYMHSA-N	240.263	-0.765	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H](O)C2)cc1	110919481	KHRYKDLCTFMOGR-NSHDSACASA-N	235.287	-0.143	50	10	BBGE	
CC(O)([C@H](O)CCl)[C@H](O)CCl	148702188	NWWSZHSWWCHNLS-RFZPGFLSSA-N	203.065	-0.063	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](N2CCOCC2)C1	163188955	RQHBBHKGFGFSTJ-GHMZBOCLSA-N	248.754	-0.007	50	10	BBGE	
Cc1ccc(OCc2cnn(C)c2)c(B(O)O)c1	197900882	JHMSSMMVWUWNAZ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
OB(O)c1cc(Cl)cc2c1OCCO2	200828230	NAEBOQZBXKSZQM-UHFFFAOYSA-N	214.413	-0.209	50	10	BBGE	
Cn1ncnc1SCc1ccc(B(O)O)cc1	228082762	QSYLWGJLLIOBJX-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
NC(=O)[C@H]1CCCN1S(=O)(=O)CCCl	232296216	OQFCGWNUXKNDIS-ZCFIWIBFSA-N	240.712	-0.495	50	10	BBGE	
COC(=O)[C@@H](CSC#N)NC(C)=O	238354688	QTHZDWRTORWTKD-ZCFIWIBFSA-N	202.235	-0.122	50	10	BBGE	
OB(O)c1cccnc1[C@H]1CCCNC1	238629317	JHKJEGJSTJPGKK-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
COCCN([C@H](C)COC)[C@H](C)CC(=O)NN	251702870	XNDSXSDNXQABER-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
COC(=O)C1=NS(=O)(=O)C(C#N)=C1	260239104	RYVXHXHUIYSQMY-UHFFFAOYSA-N	200.175	-0.649	50	10	BBGE	
C[C@H](O)C[C@@H]1CCCCN1[C@H](C)C(=O)NN	304625178	YFBWHNANIHYWFS-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
NC(=O)C(=O)N/N=C/[C@@H]1CCSC1	307547136	LFGZNCCUDIKGHB-QKEWHEQXSA-N	201.251	-0.673	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CN(C)NC1=O	307552980	VLPXFOUVYZZKSH-CRCLSJGQSA-N	205.645	-0.925	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	307558149	CRBDLRHDDJNTCF-RNJXMRFFSA-N	201.270	-0.933	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C1	307558150	CRBDLRHDDJNTCF-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
NC(=S)NNC(=O)NCCC1CC1	308159216	CPDRKSKIZRLNBB-UHFFFAOYSA-N	202.283	-0.166	50	10	BBGE	
CCOC(=O)C[C@@H](Cl)[C@@H](N)C(=O)NO	308488173	OHARTBBRCGNTSP-INEUFUBQSA-N	224.644	-0.620	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ccc(F)cc1	309693797	QQYYEJBPEQTECY-UHFFFAOYSA-N	226.163	-0.078	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[S@@](=O)CC1	321919395	TUWDSOJGIFJMNZ-AGRCIMAESA-N	247.364	-0.545	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCC[C@](O)(C(N)=O)C1	380618313	ZXQJRSSRJTUCHJ-GMSGAONNSA-N	248.710	-0.300	50	10	BBGE	
COCCOCCN(C)CCCC(=O)NN	380967661	DMHIVQDVOFZANC-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
CCC(CC)NNC(=O)[C@H]1COCCN1	393749637	NHOCXOYBEXWGOT-SECBINFHSA-N	215.297	-0.216	50	10	BBGE	
CC(=O)Cc1cc(B(O)O)ccc1C(=O)O	396131279	ZVPCHKBNFLRAKQ-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
N#Cc1ccc(CO)c2c(B(O)O)csc12	396222553	NQKQUKALQBDTKD-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCC[C@@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396451226	IZWVNNPZCBIRSQ-MNOVXSKESA-N	223.081	-0.473	50	10	BBGE	
CN(C)C(=O)Nc1ccccc1B(O)O	405130064	FNCGBXCVBPLNHB-UHFFFAOYSA-N	208.026	-0.540	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)[C@@H](C)O1	585066451	LWJPCJGQGJJXMN-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CC(C)[C@H]1COC[C@H]1N(C)C(=O)C(=O)NN	688144410	KCCMPIVKYVQBNA-HTQZYQBOSA-N	229.280	-0.894	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690154486	FLYRGORYXBOODF-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@H]1CO	698211596	CMPQLZIUWCHNTR-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
CC[C@](C)(C(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703435932	IIAYCKSKPNSBLX-OKTBNZSVSA-N	240.259	-0.443	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@@H](O)C1	703798147	ZEKWEVJJDPASOM-OCAPTIKFSA-N	201.270	-0.931	50	10	BBGE	
C[C@H]1CN(C)CCN([C@@H](C)C(=O)NN)C1	707565098	QTRKOYRGLQWXEM-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
OB(O)c1ccn(CCCOC(F)(F)F)n1	713428140	HNZDWEWTTLEFLI-UHFFFAOYSA-N	237.974	-0.511	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1[C@H](C(=O)O)C1(F)F	715314766	BFFRXRCAJKDYGM-RFZPGFLSSA-N	237.206	-0.272	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@@H]2C1=O	715701778	MGXZEJOFUMEKEU-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
CN1CC[C@](C)(N2[C@H]3CC[C@H]2C(=O)OC3=O)C1	716574302	YTHCEEDOFISPTF-AUTRQRHGSA-N	238.287	-0.003	50	10	BBGE	
CN(C)C[C@@H](Cl)CNC(=O)c1cn(C)nn1	717318709	AAHFTTKFLSPECU-ZETCQYMHSA-N	245.714	-0.286	50	10	BBGE	
C[C@H](O)C1CN(CC(C)(C)C(=O)NN)C1	719807879	PQFNNFRCHWTMAL-ZETCQYMHSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ccn(C)n1	723525128	XCFNOSAAXPAIJX-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
O=C(NN=Cc1cocn1)C(=O)N1CCCC1	814824175	LQLGSYFAPZEOON-UHFFFAOYSA-N	236.231	-0.253	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1	843657256	FRWXPVYJFYGYSJ-HTQZYQBOSA-N	242.275	-0.262	50	10	BBGE	
COC1(C(=O)NNC(=O)C(C)C)CC1	843755624	KLUCDKMPZQWKDZ-UHFFFAOYSA-N	200.238	-0.031	50	10	BBGE	
CN(NC(=O)CCc1nn[nH]n1)C1CC1	1329527032	QWNAIMBHACKFIG-UHFFFAOYSA-N	210.241	-0.742	50	10	BBGE	
Cn1ccc(NNC(=O)c2ncccn2)n1	1558977668	QUMXRSQWRCMOTO-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
CC(C)NC(=O)NNC(=O)/C=C\C(=O)N(C)C	1631558077	XUSXHYQYZONKBD-WAYWQWQTSA-N	242.279	-0.630	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1ncncc1F	1636639649	JFRCZUPXRVVLJJ-SECBINFHSA-N	226.211	-0.004	50	10	BBGE	
NC[C@H](O)C(=O)NCC(Cl)Cl	1880162670	VEKRKQVGHGIFAN-VKHMYHEASA-N	201.053	-0.774	50	10	BBGE	
N[C@@H]1CC[C@@H]1NC(=O)/C=C/C(=O)Cl	1883647616	OPGYVTCBZWBGLT-ZRKSVAJOSA-N	202.641	-0.086	50	10	BBGE	
COC[C@H](ON)C(=O)NC1CC(Cl)C1	1884413583	YFTVTVWMFORNLK-AHXFUIDQSA-N	222.672	-0.222	50	10	BBGE	
CC[C@@H](C(F)F)N(C)C(=O)C(=O)NN	1885178241	FCWMLFUQMZNSEL-BYPYZUCNSA-N	209.196	-0.522	50	10	BBGE	
CSCCCC(=O)NCC=CB(O)O	1892921087	XPPSSMOKMDQCBA-UHFFFAOYSA-N	217.099	-0.186	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H]1CO	1895137341	UHJPTUKOWGFZGQ-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
C=C(CN1C[C@H](OC)[C@H](F)C1)B(O)O	1895191421	NQDUAOWOGMYKCV-SFYZADRCSA-N	203.022	-0.777	50	10	BBGE	
C=C[C@@H](CCl)NS(=O)(=O)NC(=O)OC	1901504465	KDJHVYSOUKVARB-YFKPBYRVSA-N	242.684	-0.030	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@@H](C)C(N)=O	1901753433	VKDHHHBVCVYUMR-YUMQZZPRSA-N	230.312	-0.659	50	10	BBGE	
CC[C@](C)(CN(C)CC1COC1)C(=O)NN	1902712786	ICRPJKLQIVKKLJ-LLVKDONJSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOCC2(CC2)C1	1906996938	LAMOXQBWDMLMJZ-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2CC[C@]2(CO)C1	1910387931	WURMIFSWLKZCTI-QFOLPQNPSA-N	241.335	-0.295	50	10	BBGE	
COCC1CN(Cc2ccccc2B(O)O)C1	1916307706	YCAUHMCWCSMZID-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
C[C@H]1CNC[C@@H]1N1CCC(O)(C#N)CC1	1926452521	VBEWRJVFZXFBBX-UWVGGRQHSA-N	209.293	-0.055	50	10	BBGE	
CCN(CCC#N)C[C@@H]1C[C@H]1C(=O)NN	1927913201	GOYLUNHHPXRIOB-DTWKUNHWSA-N	210.281	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1CO2	1927915154	CDNLUZMDIJHIKK-RBXMUDONSA-N	211.265	-0.915	50	10	BBGE	
CN(C)C[C@@H](Cl)CN=c1nc[nH]n1C	1930288910	FCNAPZZEFZRDHZ-ZETCQYMHSA-N	217.704	-0.182	50	10	BBGE	
COC[C@]1(O)CCN(C[C@H](O)CCl)C1	1931628153	QIKRYSQMYHIXCR-BDAKNGLRSA-N	223.700	-0.331	50	10	BBGE	
CSC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1933241577	VQOYEFUISVHUEX-POYBYMJQSA-N	215.322	-0.340	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NNC(N)=S)C2	1935033203	IMJBGMQOAMUOFU-RORPDPNFSA-N	229.305	-0.192	50	10	BBGE	
NNC(=O)C(=O)NC1([C@@H]2CCCCO2)CC1	1935694742	DSVDEHZPEZSEJF-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@H](C)O1	1936535311	NYFFRYYCFPTRPM-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
O=C(CCn1ccnn1)N[C@@H]1COC[C@H]1Cl	1937144209	CKQNMOGVOKHQRB-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@@H]1COCCO1	1939103957	ZPVCWCVRKLQQJZ-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CN(CCC(=O)NN)C1C[C@H]2COC[C@@H]2C1	1939479251	WSIGVEIQOCNNIR-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@]12CCOC2	1939718365	DEOQEHMMLPXFMX-WCABBAIRSA-N	227.308	-0.277	50	10	BBGE	
C[C@]1(O)CCCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1941086946	LCNVPAQPNOZRMC-FOGDFJRCSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCN(CCC(=O)NN)[C@@H]1C(=O)N(C)C	1942611831	AMZGNNONWMMSEA-SCZZXKLOSA-N	242.323	-0.835	50	10	BBGE	
CC1(C)C[C@@H](CO)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1945906044	RKYDOZJYHLZIFL-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)CCN(C)C	1949777648	XQIIFOBTRLKEMA-SNVBAGLBSA-N	246.355	-0.999	50	10	BBGE	
CC(C)(C)n1nnc([C@H](N)[C@@H](O)C#N)n1	1953032209	XRSAALLJEHHULR-NTSWFWBYSA-N	210.241	-0.688	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)C(=O)C1	1954036671	IFQVGJAXGSNWQO-ZETCQYMHSA-N	201.657	-0.109	50	10	BBGE	
CSCCN1CCN(C(=O)NN)CC1	1956874208	VWWSFRCGEWSSLW-UHFFFAOYSA-N	218.326	-0.450	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@@H]1F	1957419375	ZHNUTXCVCGDHPZ-NTSWFWBYSA-N	203.217	-0.675	50	10	BBGE	
CN(CCCC(=O)NN)Cc1cnsn1	1960522507	YWFCMDDTLIZRKB-UHFFFAOYSA-N	229.309	-0.260	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2COCC[C@H]21	1961304083	JWISESAEXKYWPT-HTQZYQBOSA-N	231.321	-0.817	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1C(F)F	1961505225	DXLHYXHGQNIUCQ-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H]1C[C@H]1CCl	1962195846	KYGBGULXLUMWTL-NKWVEPMBSA-N	229.671	-0.336	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1csc(C(=O)NN)n1	1975981340	CWJZRMLKJDCSRE-YFKPBYRVSA-N	240.288	-0.133	50	10	BBGE	
Cc1nc([C@@H]2CCN2[C@@H](C)C(=O)NN)no1	1976769318	YXXMDKSNBJTHLM-FSPLSTOPSA-N	225.252	-0.497	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	1980723533	UCVBSIICZGLKGR-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@@H]3C2)ccc1B(O)O	1981468377	AUQJQRDNCQIOOX-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]2C)n1	1981468424	BLAZXCQWYKCMTA-SSDOTTSWSA-N	221.069	-0.546	50	10	BBGE	
Cc1nc(N2CC[C@H](F)C2)ccc1B(O)O	1981469395	RRSJEQSSTWEQQK-QMMMGPOBSA-N	224.044	-0.382	50	10	BBGE	
CCCCn1cnc2c(B(O)O)ncnc21	1982866733	SBTOLBIBONLDNN-UHFFFAOYSA-N	220.041	-0.694	50	10	BBGE	
CC[C@@H](COCC(F)(F)C(=O)NN)N(C)C	1983908733	XNFAUGRKKKQVMY-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
N#C[C@H]1CCN(CCC(F)(F)C(=O)NN)C1	1984122563	XSVZRTTVZHOMDL-SSDOTTSWSA-N	232.234	-0.153	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OC[C@@H]2C[C@@H]2C(=O)NN)C1	1986235736	PKNHZBMOFUCBGU-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCOC[C@H]1F	1987224229	KEUYAHGDVTUFGM-IWSPIJDZSA-N	233.287	-0.186	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N(C(=O)C=CC(=O)Cl)C1	1991647168	AGRUDHLXJXWBSI-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1C[C@@H](CO)CO1	1991662275	JSCXQYYVOAAETM-JGVFFNPUSA-N	247.678	-0.178	50	10	BBGE	
NC(=O)NC1CC(NC(=O)/C=C/C(=O)Cl)C1	1991716263	HGGUDDDMXZQMCW-OWOJBTEDSA-N	245.666	-0.377	50	10	BBGE	
C=C(CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)B(O)O	1992160439	WIZRNRKKYNHECP-GWOFURMSSA-N	223.081	-0.336	50	10	BBGE	
CC#CCNC(=O)c1ccccc1B(O)O	1992835919	HZGQZYKKRLIOER-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
COC[C@H](O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)C(=O)NN	1995620825	PNMBLOAFMHIADB-AZVNGCGHSA-N	226.276	-0.338	50	10	BBGE	
COc1cc(Cn2cc(B(O)O)cn2)ccn1	2001619493	BTVWRVSOWIFASC-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@H](O)C[C@@H]21	2001967680	RKNXQAFTAYBYGU-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
CCN(C[C@H]1CCOC1)[C@H](COC)C(=O)NN	2003784710	MQVJWXUIRSJGND-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
Cc1nc2n(c1C)CCN([C@@H](C)C(=O)NN)C2	2004308121	ZVTFMNVOYDDHBD-VIFPVBQESA-N	237.307	-0.306	50	10	BBGE	
Cc1nc(OCCC(F)(F)F)ncc1B(O)O	2004929722	NCALWMFLODJQGX-UHFFFAOYSA-N	249.985	-0.204	50	10	BBGE	
Cc1nc(OCc2ccco2)ncc1B(O)O	2004930035	QELUOQUZIXKWBD-UHFFFAOYSA-N	234.020	-0.363	50	10	BBGE	
CC(C)(C)OCCOc1ncc(B(O)O)cn1	2004952811	UFOJPIONLRWMGK-UHFFFAOYSA-N	240.068	-0.650	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(N(C)C)C2	2006383121	YDZXCMYPNVKGBW-GUBZILKMSA-N	240.351	-0.078	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COC[C@@H]32)c1	2013469453	WICOVXRDLNEROK-JQWIXIFHSA-N	233.076	-0.803	50	10	BBGE	
CCc1nc(CC)n(CC(=O)NNC(C)=O)n1	2019209488	JZMNPTDPYDWQPI-UHFFFAOYSA-N	239.279	-0.430	50	10	BBGE	
C=C[C@@]1(CO)COCCN1CCCC(=O)NN	2022249138	DEVBGTAMWSPYCI-LLVKDONJSA-N	243.307	-0.994	50	10	BBGE	
Cc1nn(C(C)C)cc1Cn1ccc(B(O)O)n1	2026961504	POVZYXPGKLPYME-UHFFFAOYSA-N	248.095	-0.303	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	2040233075	UXBNKQFQQIYDRD-HLTSFMKQSA-N	246.075	-0.254	50	10	BBGE	
CN(Cc1ccccn1)c1ncc(B(O)O)cn1	2052469757	VGVTZIOPMHHSPE-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(B(O)O)c1F	2060130296	GQNYMYFFRAITDN-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CC2(COC2)C1	2061775608	VYGXMKNBHBBPCY-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071239958	FFSVBDKNBQQKHE-YXZBHFDYSA-N	245.087	-0.570	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]1C1CCC1	2079373927	GQHPZLXUBLQTGJ-CMPLNLGQSA-N	247.103	-0.036	50	10	BBGE	
OB(O)c1cccc(COCC2[C@H]3COC[C@H]23)c1	2080319283	PYFPBCMKAZTVQE-CHWSQXEVSA-N	248.087	-0.225	50	10	BBGE	
CCN(C)S(=O)(=O)N[C@H]1COC[C@H]1Cl	2209849203	LDJLUDPOBWXBKH-RQJHMYQMSA-N	242.728	-0.221	50	10	BBGE	
Cc1cn(Cc2ccc(B(O)O)s2)c(O)n1	2211072528	MYTBKOLBSLLNFL-UHFFFAOYSA-N	238.077	-0.313	50	10	BBGE	
NC(=O)CCSCc1cccc(B(O)O)c1	2211134438	NBLHFRCTKVHUFK-UHFFFAOYSA-N	239.105	-0.525	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]1C(F)F	2211136925	YACKHEMMOAICLX-ZETCQYMHSA-N	248.063	-0.338	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H]1C[C@@H]1C	2211603231	VRTSWYOEKOQIAR-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
CC[C@@](C)(CO)Nc1cc(B(O)O)ccn1	2212603957	SOKDNEZTJSEOMM-JTQLQIEISA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]1C1CC1	2212606403	SWPYRXPZHCCVRX-WPRPVWTQSA-N	218.065	-0.028	50	10	BBGE	
C#CC[C@H](CC)Nc1ccc(B(O)O)cn1	2212611769	CXSKESKBMVWOLP-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
OB(O)c1cccc(CS[C@@H]2CCNC2)c1	2212641574	JPSWMLJBUZENAR-LLVKDONJSA-N	237.133	-0.039	50	10	BBGE	
C[C@@H](COc1cccc(B(O)O)c1)CN(C)C	2212989669	ZILFAJVXEMPVQY-SNVBAGLBSA-N	237.108	-0.057	50	10	BBGE	
CN1C[C@@H]2CCC[C@H](C1)N2CCCC(=O)NN	2213955150	UNDGHBZSVMTOBQ-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
CNCCCN(C)Cc1cccc(B(O)O)c1	2214593807	XYNBFNFCTGVKDG-UHFFFAOYSA-N	236.124	-0.592	50	10	BBGE	
OB(O)c1cccc(CN2CC=C[C@@H](O)C2)c1	2214597741	ZDIZSDCDVCOQOL-GFCCVEGCSA-N	233.076	-0.901	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOCC12CC2	2215776588	NRIYVVBJXRPLHA-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CN1CCC[C@H]1COc1ccncc1B(O)O	2215844745	SRSUMWGFYIJSRL-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CN(C)CC1CN(CC2(C(=O)NN)CCC2)C1	2216532592	PNZKPYKZQUDZRE-UHFFFAOYSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	2216703017	FGSRSTNURAGIFC-JMJZKYOTSA-N	241.335	-0.437	50	10	BBGE	
COCC1CC(Nc2cc(B(O)O)ccn2)C1	2217178365	VFADGPGEUPNVSM-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
CC[C@H](N)CCCOc1ccc(B(O)O)cn1	2217182401	AFGRLQBJXJKWGS-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
Cc1cnc(NC[C@H](O)C2CC2)cc1B(O)O	2217183993	PIEAUJVVTGDWQR-JTQLQIEISA-N	236.080	-0.747	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)[C@@H](C)CO	2217184914	SEHDUDBFWUUMRR-BQBZGAKWSA-N	242.059	-0.671	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Oc1ncccc1B(O)O	2217187498	ZMVAIVNLEPQMNY-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
CC1(C)CN[C@@H]1COc1cc(B(O)O)ccn1	2217195537	LFQZMNUYDCVSIC-SECBINFHSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@H]3CCOC[C@@H]32)nc1	2217196831	IHTVEYFLOFTZJX-ATZCPNFKSA-N	234.064	-0.792	50	10	BBGE	
C#CC[C@@H](C)CN(C)c1ncc(B(O)O)cn1	2217202686	YSJJJSGRVTWFCL-SECBINFHSA-N	233.080	-0.748	50	10	BBGE	
OB(O)c1cccnc1OCCc1ccccn1	2223622883	AZQWWNAEIZZVAL-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
Cc1cnc(N[C@]23CCNC[C@@H]2C3)cc1B(O)O	2223649161	UWCPNLLKWVPGRE-CABZTGNLSA-N	247.107	-0.766	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC[C@H]3C[C@H]2CN3)c1	2223672583	UHFCPRFAITYSAS-LSJOCFKGSA-N	247.107	-0.686	50	10	BBGE	
CNC[C@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223672769	CFFAFGUBIVGRRT-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
CCCN(C[C@@H](C)O)[C@H](C)C(=O)NN	2242074744	CSMNGSIVQICYCZ-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
OCCSc1cc(B(O)O)c(Cl)cn1	2242392168	RTJFNRDKFZUWIK-UHFFFAOYSA-N	233.485	-0.501	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243348258	WCTKXBWLONSRIL-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)c[nH]1	2243349941	SSZIJYUVTWQYNT-MRVPVSSYSA-N	220.037	-0.857	50	10	BBGE	
O=C(NCC1CC(O)C1)[C@H]1C[C@@H](B(O)O)C1	2243381293	FAMIVHLXBVCLAL-VGKQMMLZSA-N	227.069	-0.874	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243395734	BFVSYHSEOOZWAK-IUCAKERBSA-N	219.049	-0.619	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)o1	2243399786	QKOIHXTVCRVWDY-WKEGUHRASA-N	223.037	-0.512	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccsc1B(O)O	2243408165	IILGGKOIFWFBSB-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@H]1CF	2243415626	YXILZDOGHHDFML-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)cs1)C(C)C	2243420763	YYRZGRUTWZMZGW-UHFFFAOYSA-N	243.093	-0.160	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2COC[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2243426653	JUAHGIDFFLQRNU-XGQMLPDNSA-N	225.053	-1.000	50	10	BBGE	
C[C@H]1COCCN1CCO[C@H](C)C(=O)NN	2244038579	YAMZPKANDCIDGL-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
COC[C@H](C)OC(=O)NCCC#CB(O)O	2244534013	CJZCGJSDDUVMIT-QMMMGPOBSA-N	229.041	-0.847	50	10	BBGE	
C=C[C@H](C)CCN=c1ncc(B(O)O)c[nH]1	2245057863	JGEKWBAQLBHQBL-QMMMGPOBSA-N	221.069	-0.798	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CC1CC1	2247738568	RXXMVANEQMGINA-UHFFFAOYSA-N	237.064	-0.250	50	10	BBGE	
O=C(C#CB(O)O)NC1(C2CC2)CCOCC1	2247744256	PZYAJBGHFYGLDJ-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
C[C@]12CN(C(=O)C#CB(O)O)CC[C@@H]1C2(F)F	2247747610	PVZORHSWIFTMNV-CBAPKCEASA-N	243.018	-0.495	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)o1	2247747839	SZUVQWFQFBEAGE-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H](CF)C1	2247750029	DBIOBBJJCJVMNK-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)cn1	2247771724	YEJMSBKEEVKYIW-HQJQHLMTSA-N	234.064	-0.710	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)[C@H]1C[C@@H](B(O)O)C1	2247785635	OFRBKBIIQPJZCZ-SQXHDICFSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)C(=O)C1CC(B(O)O)C1	2247799495	DRIDIZKOIHUZRG-NFTFJBJSSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOCC12CCC2	2247807392	HVICIIPHENUKGD-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ccoc1B(O)O	2247846581	JBLNKCGJZZCWGR-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCC[C@H]1CCCOC1)C1(B(O)O)CC1	2247853495	MYACJWUPGYPHGE-SECBINFHSA-N	241.096	-0.074	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)cn1C1CC1	2247853566	ODPIBFIXPKSDSB-UHFFFAOYSA-N	234.064	-0.581	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ncccc1B(O)O	2247869263	OPAJLLWMHZTBDO-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
CO[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247872063	MDXGEAAFRFVIOP-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CC([C@@H](F)CO)C1)C1(B(O)O)CCC1	2247878475	KKIRSSPWNXKYQF-QMMMGPOBSA-N	245.059	-0.828	50	10	BBGE	
CO[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247887790	RQSUNXLAVZAUSM-QCLAVDOMSA-N	241.096	-0.219	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@H]2C[C@@H]2B(O)O)o1	2247894077	CANYHHGGUAJFFF-YUMQZZPRSA-N	238.052	-0.229	50	10	BBGE	
COCCOCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895606	UJHFAGFYMCWTJQ-DTORHVGOSA-N	245.084	-0.981	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247897028	NFRJFOBNNXPYDN-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247899266	LYLLQIXGJOWSBH-HLTSFMKQSA-N	241.096	-0.219	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC(N)CC1	2247900492	XIGAQOGWFHRXJS-QLEHZGMVSA-N	240.112	-0.422	50	10	BBGE	
C=C(F)CNC(=O)Nc1ccc(B(O)O)cc1	2247978686	SNARTIVZVRIBNE-UHFFFAOYSA-N	238.027	-0.029	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)CC1COC1	2249013741	LLVJTUHRLVEETQ-UHFFFAOYSA-N	239.275	-0.039	50	10	BBGE	
CCn1cc(CN2CCC(B(O)O)CC2)nn1	2249352741	HHFYSBVIGKKZKQ-UHFFFAOYSA-N	238.100	-0.263	50	10	BBGE	
C#CC1(NC(=O)c2scc(B(O)O)c2C)CC1	2249989468	IACFROCPBOUJMZ-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
Cc1cc(CNC(=O)N(C)C)ccc1B(O)O	2251313062	NMZOCIOUACFNCZ-UHFFFAOYSA-N	236.080	-0.554	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2255459416	GQGODOBXUNXETR-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
C#CCCCNC(=O)c1ccc(F)cc1B(O)O	2255497636	FCIYGHYRJSKQBZ-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@@H]2C1	2255513967	AWVSXNSADGGOCV-RKDXNWHRSA-N	249.050	-0.403	50	10	BBGE	
O=C(NCc1ccn(C2CC2)n1)[C@@H]1C[C@H]1B(O)O	2255563611	HZAGTFITHJHRMZ-NXEZZACHSA-N	249.079	-0.303	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccc(B(O)O)cc1F	2255718497	AFQNXIZKBWNTQA-YUMQZZPRSA-N	249.050	-0.356	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255772700	BAGYKAIOZHRKDM-IONNQARKSA-N	249.079	-0.925	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2CC[C@@H]2C)c1B(O)O	2255787434	ZDMCEGSNZOOMHH-CBAPKCEASA-N	248.091	-0.402	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CC2CC1C2	2255890197	MNRHVBRJKUSNBG-UHFFFAOYSA-N	246.075	-0.008	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1cocc1B(O)O	2258944265	QCSIXUWUEBPAEA-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
COc1cncnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2299344119	JTPBRALTWAOYMZ-RITPCOANSA-N	237.024	-0.713	50	10	BBGE	
CN[C@H]1CN(CC(=O)NNC(C)=O)CC1(C)C	2299722780	ZXMYZPJHEQNQKB-VIFPVBQESA-N	242.323	-0.917	50	10	BBGE	
COC[C@@H](OC[C@@H]1COCC1(C)C)C(=O)NN	2301157725	QPHZJANIWPKMFS-DTWKUNHWSA-N	246.307	-0.320	50	10	BBGE	
C[C@H]1COC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349743	IGUGCNFUTBAGAI-QPUJVOFHSA-N	249.075	-0.374	50	10	BBGE	
Cc1nc(OCc2ccncc2)ncc1B(O)O	2317801712	PNSJQEZKMJRPRB-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccccc1F	36948070	HLQFFVGOCSIBBH-UHFFFAOYSA-N	225.223	-0.526	50	10	BBGE	
NNC(=O)C(=O)Nc1cc(F)cc(F)c1	36948249	GVFHEKFLGNPJKZ-UHFFFAOYSA-N	215.159	-0.107	50	10	BBGE	
Cc1c(C(=O)NN)sc2nc[nH]c(=O)c12	37388163	XOLLBZHYIAXMAP-UHFFFAOYSA-N	224.245	-0.103	50	10	BBGE	
C[C@H](CS(=O)(=O)N1CCCC1)C(=O)NN	41265777	WNUBWUPHCACZNH-SSDOTTSWSA-N	235.309	-0.962	50	10	BBGE	
C[C@H](CNCCN1CCCC1)C(=O)NN	58855269	LQSNYGDOIZKGNW-SECBINFHSA-N	214.313	-0.702	50	10	BBGE	
COCc1nc(CN(C)C)sc1C(=O)NN	82446683	BTGSONGHRJSQIW-UHFFFAOYSA-N	244.320	-0.045	50	10	BBGE	
C[C@H](O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	86313470	KDVSNCCWPLNTGE-RNJXMRFFSA-N	203.286	-0.687	50	10	BBGE	
CCN(CCCO)CC(C)(C)C(=O)NN	124934748	ZCTKUJKPACZZAR-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
CN[C@@H](CN(C)C(=O)CCl)C(=O)O	142957683	IUHNUSRFOQXYED-YFKPBYRVSA-N	208.645	-0.644	50	10	BBGE	
CN(C)NC(=O)c1ccncc1C#CCO	149836022	MRIQLJLYZJAVNE-UHFFFAOYSA-N	219.244	-0.368	50	10	BBGE	
COC[C@@H](C)N(C)C[C@@H](C)C(=O)NN	216479250	JCCMFXYBTKFJAL-HTQZYQBOSA-N	203.286	-0.421	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)Br	235062480	LWRSXIUIFDFSMN-GSVOUGTGSA-N	209.043	-0.063	50	10	BBGE	
C[C@H](Br)C(=O)N1C[C@H](O)[C@H](O)C1	235427890	UGGICGAXWJYHPA-HCWXCVPCSA-N	238.081	-0.666	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCO[C@H](C)C1	252609960	UIRCPNUPLOWHBH-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CN1CC[C@H](NC(=O)CCNC(=O)CCl)C1	258840270	XNQGIIHGFQROQH-QMMMGPOBSA-N	247.726	-0.448	50	10	BBGE	
CN1CCC(COCC(=O)NN)CC1	259049390	VBALZDQYNHHPHA-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H]1CCO	304475259	BCGSLAJAYPAKQT-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
Nc1cc(N)c2sccc2c1B(O)O	306834346	PQIUDPJSXYAYAF-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CC[C@H](C)N(CCO)CCCC(=O)NN	308841537	YISMGDVSQKHJOT-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
Cc1ccc(CN(C)[C@@H]2CCOC2)cc1B(O)O	313750777	LDHLQVNPMGPSQA-GFCCVEGCSA-N	249.119	-0.104	50	10	BBGE	
CC1(C)CCN(CCC(=O)NN)CC[S@@]1=O	322051379	NSDMZRFMSQLMML-INIZCTEOSA-N	247.364	-0.401	50	10	BBGE	
CCC(CC)(CNC(=O)C(=O)NN)OC	380158849	ABLPFTWONRXFKT-UHFFFAOYSA-N	217.269	-0.702	50	10	BBGE	
CCC1(C)CN([C@H](COC)C(=O)NN)C1	381903570	PEJYHLBHYAKKII-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C/C=C/CCl)C1	389218384	LRLHBKZLIGZSLR-VWCDRPFISA-N	218.684	-0.297	50	10	BBGE	
C[C@@H]1CCC(=O)N1C[C@H]1CC[C@@H](C(=O)NN)O1	390804752	XSMFQGPSAODKRS-HLTSFMKQSA-N	241.291	-0.465	50	10	BBGE	
CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NN	394368775	XZXCFSCGQQYGDU-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)cc1F	405038264	XKVPKXPWYZPFOE-UHFFFAOYSA-N	243.068	-0.193	50	10	BBGE	
O=C(/C=C\C1CC1)NNC(=O)[C@@H]1COCCO1	491934585	DTCMASIDLLVAJJ-TYRPZCRBSA-N	240.259	-0.485	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1	584989426	ODYQJFXAJAWRMX-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
Cn1ncc(Cl)c1C(=O)NNC(N)=O	606286714	UBGDBOFYDSKIKR-UHFFFAOYSA-N	217.616	-0.613	50	10	BBGE	
N[C@H](CCCO)c1ccc(B(O)O)cc1F	687734267	VQCLHOIBIHJENL-SNVBAGLBSA-N	227.044	-0.722	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CN(C)C)C1	689158577	LGNBGAQLCITSFV-GHMZBOCLSA-N	242.367	-0.116	50	10	BBGE	
CC(C)C[C@H](Sc1nnnn1C)C(=O)NN	695128233	ZCUVODPUVIAZRP-LURJTMIESA-N	244.324	-0.293	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](F)C1	701809045	KAEPWQZJRQWIDG-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
COC[C@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)OC	703446682	ZCPZPOYKWUFEPQ-CIUDSAMLSA-N	243.259	-0.436	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC(C)(C)[C@H]1C	708260089	IHJBXJNDKCVXGC-JGVFFNPUSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)c1ccccc1CN1C(=O)COC1=O	709026152	ZCHCWJAQAYTZJG-UHFFFAOYSA-N	249.226	-0.231	50	10	BBGE	
CCN1CC[C@@H](N(CC)CCC(=O)NN)C1	709908559	CUCONADXEVVUPS-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(C)(C)[S@](=O)NC1(B(O)O)CCOCC1	719565508	WJICUMPVGYVPPB-INIZCTEOSA-N	249.141	-0.401	50	10	BBGE	
CCCn1cc(C(C)=NNC(=O)CO)nn1	905458133	BUTPPMPWIPVJTN-UHFFFAOYSA-N	225.252	-0.479	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@H]1CCCS1	911294888	GJWIOYDVYQPWSS-JCIYNLPVSA-N	244.316	-0.034	50	10	BBGE	
CCNC(=O)NNS(=O)(=O)c1cnc(C)[nH]1	1251539813	XNLFOWSBABBIDU-UHFFFAOYSA-N	247.280	-0.769	50	10	BBGE	
NC(=O)c1cc(C(=O)NNc2nc[nH]n2)co1	1306852769	FPEYEFXJGCAOHX-UHFFFAOYSA-N	236.191	-0.747	50	10	BBGE	
Cc1cc(C=NNC(=O)CS(C)(=O)=O)on1	1331823030	XSJDXGOPMSAODH-UHFFFAOYSA-N	245.260	-0.522	50	10	BBGE	
C#CC(=O)NNc1ccccc1S(N)(=O)=O	1641519668	RITMUUNBXSRLCE-UHFFFAOYSA-N	239.256	-0.590	50	10	BBGE	
O=C(CC1COC1)NNC(=O)c1cccnn1	1651057333	FOSZKNIXCGYQNS-UHFFFAOYSA-N	236.231	-0.726	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@H]1Br	1877411851	QBKWXBZAJXWZQU-RFZPGFLSSA-N	221.054	-0.063	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](O)[C@H](F)C1	1877510531	LYWNVIIXOGRBKJ-PHDIDXHHSA-N	221.615	-0.151	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CC[C@H]1O	1878137940	FHQBSXQIBKKVFU-NTSWFWBYSA-N	203.625	-0.053	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1883650010	ZNDPSIYRKRJZPL-ZPYNKGFJSA-N	204.613	-0.702	50	10	BBGE	
CO[C@@]1(CN(C)C(=O)NN)CCOC1	1886727753	HEIFEQVQMOWUIM-MRVPVSSYSA-N	203.242	-0.693	50	10	BBGE	
C[C@@H](CS)C(=O)NN(C)S(C)(=O)=O	1888572135	QKFQNCUHIJVIKW-YFKPBYRVSA-N	226.323	-0.525	50	10	BBGE	
CCNC(=O)N1CC[C@@](C)(B(O)O)C1	1891606621	GQVLCYMFLMJCNH-MRVPVSSYSA-N	200.047	-0.345	50	10	BBGE	
COC[C@H](ON)C(=O)NC[C@H]1C[C@@H]1Cl	1893129949	ZCHKESSSQCIHFH-VQVTYTSYSA-N	222.672	-0.365	50	10	BBGE	
C#CC1(O)CN(C(=O)C=CC(=O)Cl)C1	1893417709	REVACXQTKQKRGK-UHFFFAOYSA-N	213.620	-0.486	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@@H]2C1	1895126134	OQKXEIDPGMWNQN-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
C=C(CN(C)[C@H](C)C[S@@](C)=O)B(O)O	1895237530	AZBIGBKSLVSVEC-XLKFXECMSA-N	219.115	-0.747	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1CC1	1901255264	MPOFJTAZVCURRN-UHFFFAOYSA-N	219.049	-0.223	50	10	BBGE	
O=C(CCl)N1CC[C@@]2(C[C@H](O)CO2)C1	1901464095	ZDGRBQGNJKFKKD-IONNQARKSA-N	219.668	-0.023	50	10	BBGE	
CN1CC[C@H]1COCc1nc(B(O)O)cs1	1902658992	XBBNFUMHFMGLON-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CC[C@](C)(CN1CC=C[C@H]1CO)C(=O)NN	1902715222	FOCKCAYGALGXFM-GXSJLCMTSA-N	227.308	-0.375	50	10	BBGE	
CC[C@](C)(CN1CC([N+](=O)[O-])C1)C(=O)NN	1902720628	ROTVFPXBQQIERR-SECBINFHSA-N	230.268	-0.647	50	10	BBGE	
O=C(N[C@@H](CCCl)C(=O)O)C1COC1	1903477378	UZPGYNWIQXYDJK-LURJTMIESA-N	221.640	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@]3(C)C2)n1	1907076927	MDFJEGCHTHOOGR-JOYOIKCWSA-N	232.092	-0.084	50	10	BBGE	
O=S(=O)(NCCCCl)N1CC[C@@H](O)C1	1914177782	VXZRQDWGYQVSMV-SSDOTTSWSA-N	242.728	-0.484	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H](F)[C@H](F)C1	1927918581	VCUIRXLJAOAMMY-CWKFCGSDSA-N	219.235	-0.396	50	10	BBGE	
CCc1cscc1CNC(=O)C(=O)NN	1932994161	GQPKIQURGONPJD-UHFFFAOYSA-N	227.289	-0.083	50	10	BBGE	
CC(C[C@H]1CCCS1(=O)=O)=NNC(N)=O	1935049671	DPZJRYSQKBIAIV-SSDOTTSWSA-N	233.293	-0.002	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1COC[C@@H]1Cl	1935549483	QWHPZGPMHJDHCL-JBDRJPRFSA-N	249.694	-0.087	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@]2(C1)CC2(F)F	1939488523	JFLCZLVJKVGDJY-SVRRBLITSA-N	233.023	-0.060	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H](O)C[C@H]1C2	1941085884	FWYUCADZTIGZJH-MVCUBJFGSA-N	239.319	-0.542	50	10	BBGE	
OB(O)c1cccc(OCc2cccnn2)c1	1941974582	GRFNHNICGNWSCP-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
COc1ccc(OCC(=O)NNCCO)cc1	1944216819	APGNNXNOVOGALE-UHFFFAOYSA-N	240.259	-0.313	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3OCC[C@@H]3C2)CC1	1945892127	KOPXKZQRAUKBQD-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C)C(=O)CC1	1947190319	XREOFKCTPGMJMJ-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1958117676	SPFDBHQPCRAPRH-NGJCXOISSA-N	218.996	-0.594	50	10	BBGE	
C[C@@H](CN(C1CC1)C1COC1)C(=O)NN	1959029766	HJWOVUNMYWIBQO-ZETCQYMHSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N2CCC(B(O)O)CC2)C1	1967573310	PCCSVKIIDWPZKM-WCBMZHEXSA-N	241.096	-0.123	50	10	BBGE	
CC(C)COC[C@H]1CCN(CC(=O)NN)C1	1976189890	QNVCLEOKAFDPPX-JTQLQIEISA-N	229.324	-0.029	50	10	BBGE	
CCCN1CC[C@H](N(C)[C@H](C)C(=O)NN)C1	1976569603	FZJRQVBPWVGBST-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSCCCN)n1	1980592013	FWNFZTKYALCHIG-UHFFFAOYSA-N	243.336	-0.394	50	10	BBGE	
C[C@H]1N(CCOCC(=O)NN)CCC1(F)F	1981240047	PQYWMEFNEDOZLG-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@H]1C	1981413886	LRTLCNJIRGJBMI-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC[C@H]2O)C1	1984543300	RUSCMFQIRUCVHQ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CN1CC[C@@H]2OCCN(C[C@@H](O)CCl)[C@H]2C1	1986865126	STKOXQZIQYRDSA-DCAQKATOSA-N	248.754	-0.009	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1(CCO)CC1	1988601810	RXMSNKCONVZGAQ-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
COC[C@@H](O[C@H]1COCC1(F)F)C(=O)NN	1991603238	MMONPZCKKUIGMO-RITPCOANSA-N	240.206	-0.958	50	10	BBGE	
C[C@]12CO[C@](C(=O)NCC=CB(O)O)(C1)C2	1994603027	NFWKEIJECRSERD-AOOOYVTPSA-N	225.053	-0.760	50	10	BBGE	
NNC(=O)CN1CCc2ccnc(O)c2C1	1994899156	MZVJOHDLJPKISO-UHFFFAOYSA-N	222.248	-0.865	50	10	BBGE	
CN(Cc1cn(C)cn1)C[C@@H]1C[C@@H]1C(=O)NN	1997728700	RFZKOXMCTAUVOP-WPRPVWTQSA-N	237.307	-0.522	50	10	BBGE	
CN(Cc1c(C(=O)NN)cnn1C)CC(F)F	2003509584	LTTOLEGADIXYDR-UHFFFAOYSA-N	247.249	-0.280	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	2004601801	BOJJTGLNZUABKH-KATARQTJSA-N	241.335	-0.154	50	10	BBGE	
CC[C@@](C)(COc1ncccc1B(O)O)OC	2004950518	GPIBFOOTNBQWCQ-NSHDSACASA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3C[C@H]3C2)n1	2005017138	AGOWCQKYQLJXIP-IUCAKERBSA-N	233.080	-0.771	50	10	BBGE	
CN(CC(=O)NN)[C@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2006094329	MUFDZOVLWAZVOB-KAMPLNKDSA-N	239.319	-0.136	50	10	BBGE	
C[C@H](CO)N(C)Cc1ccc(C(=O)NN)nc1	2007741914	VWRVPQZNSLVYPP-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
CON(CC(=O)NNC(C)=O)C1CCOCC1	2019209389	JJTQIMQGJGKCIA-UHFFFAOYSA-N	245.279	-0.804	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2C[C@H]3C[C@@H](C2)C3)O1	2021433935	CRDZVXLFBLFTHH-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
COCC1CC(Oc2ncccc2B(O)O)C1	2026330474	CGUFWZMQZUHAPG-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
Cc1nc(N(C2CCC2)C2CC2)ncc1B(O)O	2052558640	DUJWACBXTGFAJB-UHFFFAOYSA-N	247.107	-0.014	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C(C)C)C2)n1	2052626884	YERXBRYKDMGFMG-SNVBAGLBSA-N	249.123	-0.053	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)ncc1B(O)O	2053735560	MAIQMQMDLHVDHJ-WYOJIJJFSA-N	245.091	-0.691	50	10	BBGE	
CCc1ccc(B(O)O)c(OC)c1C#N	2060261801	BRTCWSFMJQNVON-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
O=C(Cc1cc[nH]n1)N1CC[C@@H](B(O)O)C1	2208731244	CLMBSRYHYJVASC-SSDOTTSWSA-N	223.041	-0.973	50	10	BBGE	
CO[C@H]1C[C@@H](CO[C@@H](C)C(=O)NN)C1	2209987017	VDIPEHORILFNLE-BIIVOSGPSA-N	202.254	-0.194	50	10	BBGE	
CN([C@H]1C[C@@H](O)C1)[C@H](C(=O)NN)C(C)(C)C	2210106522	UNRJIRITKNDORK-HRDYMLBCSA-N	229.324	-0.154	50	10	BBGE	
O=c1ccn(Cc2ccc(B(O)O)s2)cc1	2211071317	BDIGZAYLDKRROU-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
CN1CC(N(C)C[C@H]2CC[C@H]2C(=O)NN)C1	2211839779	YYMIANABSIIRPQ-PSASIEDQSA-N	226.324	-0.752	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC2(CCC(=O)N2)C1	2212047856	YSNYZARDKIBGOY-OWOJBTEDSA-N	242.662	-0.201	50	10	BBGE	
C#CCCN(CC)c1cc(B(O)O)ccn1	2212602115	YUZSQBIXDRNFCY-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
C#C[C@](C)(CC)Nc1ncc(B(O)O)cn1	2212613808	YRVVYJVDMXSGCV-SNVBAGLBSA-N	219.053	-0.630	50	10	BBGE	
CC(=O)[C@@H]1CCN1Cc1cccc(B(O)O)c1	2214594865	IMGZUMAYCKDUCH-LBPRGKRZSA-N	233.076	-0.470	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2215776777	OVQPIQWELQPAKK-HRDYMLBCSA-N	242.323	-0.802	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3C[C@]3(F)C2)nc1	2216612686	MRUZJMKUOMBFKP-KWQFWETISA-N	236.055	-0.300	50	10	BBGE	
C[C@@H](CCO)CCN=c1cc(B(O)O)cc[nH]1	2217179803	OPPRPKDFAGGKSS-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
CC[C@@H](C)N(CCO)c1ncccc1B(O)O	2217180874	WPHROJOMYVYSHG-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1c1ccc(B(O)O)cn1	2217184831	WYJZEQWGIJCGLC-VIFPVBQESA-N	236.080	-0.889	50	10	BBGE	
N[C@H]1CCCC[C@H]1Nc1ccc(B(O)O)cn1	2217196210	QQJDQCOZBMDUSQ-VHSXEESVSA-N	235.096	-0.557	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncon1	2217199518	MZBBUKSJUJESGG-ZCFIWIBFSA-N	234.024	-0.683	50	10	BBGE	
CC[C@@H]1CN(c2cc(B(O)O)ccn2)CC[C@H]1N	2223679771	UKNZRFTXUZZXGR-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
O=c1c(F)cncn1Cc1ccc(B(O)O)cc1	2223790691	BFKHREQWHQUKQD-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=C(NCC1(F)CC1)C1(B(O)O)CC1	2241473231	GEUCNRKRQHIKPU-UHFFFAOYSA-N	201.006	-0.388	50	10	BBGE	
O=C(CBr)NC1CC(O)(CO)C1	2241592481	MKZZKECXURFXAR-UHFFFAOYSA-N	238.081	-0.617	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NC(=O)[C@@H](C)Cl	2241860326	WQNBUQCSMSBDEW-GBNDHIKLSA-N	207.657	-0.122	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)C[C@@H]1O	2243366276	ZTWAZKCUZYETAU-ZETCQYMHSA-N	227.069	-0.777	50	10	BBGE	
C=C(F)CNC(=O)c1scc(B(O)O)c1C	2243381611	HEBWFBVACCGFFK-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)NCC2CC2)s1	2243383617	ZZILFYRZDMFHRZ-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
C#CCN(CC#N)C(=O)[C@H]1C[C@H](B(O)O)C1	2243390714	ACQACPSWNHDPIJ-KYZUINATSA-N	220.037	-0.775	50	10	BBGE	
CN(CCCF)C(=O)c1ccc(B(O)O)o1	2243398420	DMIDCXAFZUQOMS-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCO1	2243410344	ZUNZCTCCXBYRIA-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C	2243420477	UBGFXOQHEHRLMM-XRGYYRRGSA-N	239.105	-0.125	50	10	BBGE	
CN(CC1CC1)C(=O)NCCC#CB(O)O	2244539429	IKGZMNKACMBBAV-UHFFFAOYSA-N	224.069	-0.557	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C(=O)NN)C(C)(C)C	2245153238	HWVPUVXZKWAFJT-XHNCKOQMSA-N	229.324	-0.154	50	10	BBGE	
O=C(NCc1ccoc1)c1ccoc1B(O)O	2247740246	ICVFTTNQNAQVQR-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
C[C@H]1CNC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247756183	MOMWAELWPBSKKU-DTWKUNHWSA-N	240.112	-0.645	50	10	BBGE	
COC(OC)[C@@H](C)N(C)C(=O)C1(B(O)O)CC1	2247756218	MVTYQGVULQNQKU-SSDOTTSWSA-N	245.084	-0.541	50	10	BBGE	
CC(C)NC(=O)CCNC(=O)C1(B(O)O)CC1	2247758669	WINNQKXLAFUXND-UHFFFAOYSA-N	242.084	-0.976	50	10	BBGE	
C=CCONC(=O)c1cccc(C)c1B(O)O	2247760807	NYHAQLXFNCDKLY-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
CN1CC(CN(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785946	SUSVTSIZAAHUTN-AOOOYVTPSA-N	240.112	-0.741	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CO	2247786950	IXQRYWHGLONYFO-HLTSFMKQSA-N	243.112	-0.237	50	10	BBGE	
CC[C@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787177	LUOSHILDSISTOR-RGOKHQFPSA-N	240.112	-0.504	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)N(C)C(C)C	2247795095	CKIUAWLCOGCQIX-UHFFFAOYSA-N	239.084	-0.937	50	10	BBGE	
O=C(N[C@@H]1CNCC12CCC2)[C@H]1C[C@@H]1B(O)O	2247799675	GTGLYRPXYPDLOA-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N(CCCO)C1CCC1	2247799893	JIHLZVVCQAZAFN-NXEZZACHSA-N	241.096	-0.387	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2247807931	JJBLFDQVFVVYAE-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2247809768	RGEWFOLMHAAREX-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1OC2(C)CC1(CNC(=O)C#CB(O)O)C2	2247841744	LLZNALFXIXCOTP-PUSIOWJLSA-N	237.064	-0.924	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2CC[C@H](C1)O2	2247848340	KSBQIOCQAFJDFX-ILWJIGKKSA-N	237.064	-0.830	50	10	BBGE	
CC1CCC(N)(CNC(=O)C#CB(O)O)CC1	2247850632	QTJACEDVJIOSTE-UHFFFAOYSA-N	238.096	-0.974	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902085	CIKYGOZKXCVQJU-HOTMZDKISA-N	238.096	-0.955	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N[C@H]1C[C@@H]1F	2247972611	RCVTUQNJAKQADW-CBAPKCEASA-N	238.027	-0.402	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248589219	NGVLIGOVIUDCMR-CSMHCCOUSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1C=CCOC1	2249279706	RAGNQKKRGWYBJS-QMMMGPOBSA-N	239.011	-0.766	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CO[C@H]2C3)nc1	2249622583	WMPIOJSZYBUTKI-QNSHHTMESA-N	234.064	-0.649	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCCC#CB(O)O)[C@@H](C)O1	2249999420	VPKBYAIEFRUZSI-BBBLOLIVSA-N	239.080	-0.678	50	10	BBGE	
CCCN(C[C@@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2250592467	RELGMXGGEPZREV-BBBLOLIVSA-N	243.112	-0.141	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2255462908	BKCZRQIUKCACRK-IUCAKERBSA-N	248.091	-0.530	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1occc1B(O)O	2255490530	JZEQOIVTHVYGEG-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1c(C)cccc1B(O)O	2255512810	GITVVNMVGGVHLZ-SNVBAGLBSA-N	243.071	-0.477	50	10	BBGE	
CC1=CC[C@H](NC(=O)c2n[nH]cc2B(O)O)CC1	2255547942	QBVWNEOCPARUPU-QMMMGPOBSA-N	249.079	-0.682	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CC=CC1	2255551704	AWEQZCZSCKMKIR-ZETCQYMHSA-N	249.079	-0.826	50	10	BBGE	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C#CB(O)O	2255669018	IDFBWUOYAFGONO-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C	2255691578	OHMYQNLZHBIZIV-OIBJUYFYSA-N	249.075	-0.487	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NC1CCC1	2255728514	HFOPKYZYLSTUGJ-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
CN(CC1[C@H]2CC[C@H]12)C(=O)c1cc(B(O)O)co1	2258129953	ZPVHDKPMJCEQID-IUCAKERBSA-N	249.075	-0.313	50	10	BBGE	
C#CCN(OC)C(=O)c1ccc(C)cc1B(O)O	2258284882	JJPWJMHABJQGSB-UHFFFAOYSA-N	247.059	-0.688	50	10	BBGE	
COC[C@@H](COC[C@@H]1CC[C@@H]1C(=O)NN)OC	2298165586	MHHFSWLKMIHDQQ-GUBZILKMSA-N	246.307	-0.320	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CC[C@@H]2C1=O	2298165915	GDCYJODMRJMQHE-QEYWKRMJSA-N	237.303	-0.129	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2298168244	UUYDZHIXMOIPBG-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1C[C@H]1B(O)O	2298368503	IMSQTJMPDXVAMG-SGIHWFKDSA-N	241.096	-0.341	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)C(=O)[C@@H]1C[C@H]1B(O)O	2298371273	GAMURDBJRKJEMF-IGORNWKESA-N	239.080	-0.657	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H]1CO)[C@@H]1C[C@@H]1B(O)O	2298376423	WCSCOIWGWRFSEF-QEYWKRMJSA-N	241.096	-0.626	50	10	BBGE	
CO[C@H]1C[C@H](N2CC[C@@H](B(O)O)C2)C[C@H]1OC	2303097422	BBKZULSDCVNDRN-DBIOUOCHSA-N	243.112	-0.273	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1c[nH]nc1B(O)O	2312860242	INAVGXOZNVUITM-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1ccc(B(O)O)cc1C#N	2317163000	NHPDZCFLHPSHID-CABZTGNLSA-N	246.075	-0.315	50	10	BBGE	
C[C@H](N)[C@H](C)COc1ccc(B(O)O)cc1C#N	2317206724	PWMLOGYDBRUIJL-BDAKNGLRSA-N	248.091	-0.400	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)c2cc(N)ccc2O1	19757481	WWCQHPUTXCBVBB-SSDOTTSWSA-N	236.275	-0.154	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C(=O)C1(C)C	94866985	RDJUGOXLCNZLEF-QMMMGPOBSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COC2CCOCC2)O1	104111511	AIRKJDQPVOLDFA-NXEZZACHSA-N	244.291	-0.281	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCC[C@@H]1C(N)=O	110589969	UTWXFYFSYJKBPV-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
O=C(CBr)N1CCOC[C@@H]1CO	135326402	BUCLKTISBXLOHJ-LURJTMIESA-N	238.081	-0.399	50	10	BBGE	
CC(=O)N[C@H]1CCN(C[C@H](O)CCl)C1	160337712	HIUNFGYLHVXXEK-DTWKUNHWSA-N	220.700	-0.204	50	10	BBGE	
O=C1CC[C@H](NS(=O)(=O)CCCl)CN1	232299678	IYMZZOUDGLELAC-LURJTMIESA-N	240.712	-0.577	50	10	BBGE	
O=CO[C@@H](CCl)[C@H](Cl)C(O)O	238694931	ITSPVSHANOEWOB-IMJSIDKUSA-N	203.021	-0.315	50	10	BBGE	
CN1CCC[C@@H]([C@H](N)CC(=O)NN(C)C)C1	259033633	JXXPSFXRFRYWML-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@@H](O)C1	299902434	CQZOZXHNCCLATF-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
Nc1sc2c(O)cccc2c1B(O)O	306855588	WQVIPTCSEOHUBZ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CCOC(=O)N/N=C(\N)c1nonc1N	308680717	XGAQQYWTBHZLPO-UHFFFAOYSA-N	214.185	-0.982	50	10	BBGE	
CC(C)CNNC(=O)[C@@H]1COCCN1	308910608	GCSPIVPREXXKQR-QMMMGPOBSA-N	201.270	-0.748	50	10	BBGE	
C[C@@H]1CN(CCCCCC(=O)NN)C[C@@H]1O	388709724	YIVDBGHNKYCGLK-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C)N(CCO)[C@@H](C)C(=O)NN	389202415	FBBRYNHKBPCCFH-YUMQZZPRSA-N	203.286	-0.542	50	10	BBGE	
NCCCC(=O)NNC(=O)c1ccco1	389613373	FHLJANILDBIWHF-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
O=C(CC1CCCC1)NN[C@@H]1CNC[C@H]1O	393952799	ZZMDAISUQAYSKG-NXEZZACHSA-N	227.308	-0.480	50	10	BBGE	
C[C@@H](O)CN(CCO)[C@@H](C(=O)NN)C(C)(C)C	395689990	WXJDAFKGKDKBDQ-BDAKNGLRSA-N	247.339	-0.934	50	10	BBGE	
O=C(CCCl)c1cc(B(O)O)ccc1CO	396044912	ZVTAPNPEYXZNTB-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
CO[C@@H]1CN(CCCCCC(=O)NN)C[C@H]1O	396135972	NCCIOQJDQZBCGN-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
Nc1cc(B(O)O)c2c(C(=O)O)csc2c1	396236988	FKAJHTRVGNXDOG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1ccc2scc(O)c2c1B(O)O	396339878	KKCLVHOQJGLSQC-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=Cc1cc2cc(B(O)O)cc(CO)c2s1	396340926	SOEQWMGCYGFKDZ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CSSCCNC(=O)[C@H](N)CC(=O)O	397726538	NNBAGVCHZVCEQD-RXMQYKEDSA-N	238.334	-0.084	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)C[C@@H](CC)O1	398712020	DZBOHXZKWFZZGN-OCAPTIKFSA-N	229.280	-0.608	50	10	BBGE	
CCOCCC(=O)Nc1ccnc(B(O)O)c1	405008463	RMNJTBFDUOEYNC-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
CNC(=O)N(C)Cc1cccc(B(O)O)c1	405154613	VJZBMIOAXMHYOH-UHFFFAOYSA-N	222.053	-0.862	50	10	BBGE	
Cc1ccnn1CC(F)(F)C(=O)NN	685956762	FQSNVICQGFPAED-UHFFFAOYSA-N	204.180	-0.183	50	10	BBGE	
Cc1nn(C[C@@H](Cl)C(=O)O)c(=O)n1C	691701267	KKXVBGGFCXUNBO-RXMQYKEDSA-N	219.628	-0.418	50	10	BBGE	
CC(C)n1ccc(Cn2cc(B(O)O)cn2)n1	694513138	CWILJZHBFVLSFG-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N2CCCC2)C1	697801007	OHPSDQFTBJEQLO-MRVPVSSYSA-N	212.297	-0.855	50	10	BBGE	
CNNC(=O)c1cc([N+](=O)[O-])cnc1O	704633309	ZGQCQDJOBFAUOI-UHFFFAOYSA-N	212.165	-0.440	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	704681658	PHWNKNCGSAECEK-VIFPVBQESA-N	225.292	-0.033	50	10	BBGE	
NC(=S)NNC(=O)C12CCCN(CCC1)C2	705920339	UBOMXFWAAJVBLC-UHFFFAOYSA-N	242.348	-0.273	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1Cl)[C@@H]1COCCO1	706693746	GRMHEMBHHUDOPR-YIZRAAEISA-N	249.694	-0.086	50	10	BBGE	
NNC(=O)N[C@H]1CCCS(=O)(=O)CC1	710653362	KIEXJWMPLOPVHW-LURJTMIESA-N	221.282	-0.873	50	10	BBGE	
Cc1nn(C[C@H]2C[C@H]2C)c(C)c1B(O)O	722833399	IWWDVNLCBNHBQD-HZGVNTEJSA-N	208.070	-0.164	50	10	BBGE	
C=C(C)C[C@H](NC(C)=O)C(=O)NNC(=O)NC	823424414	CAJARMKLDJJFOF-QMMMGPOBSA-N	242.279	-0.583	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1CC[C@H](C)O1	863222219	VKAMCCCQOGISRY-WDSKDSINSA-N	217.294	-0.321	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1nnc(C2CC2)o1	910139964	VTRCHQVOTDGIAY-LURJTMIESA-N	240.263	-0.096	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)NC(C)C	930997909	WELTUTNUBXPFNT-RNFRBKRXSA-N	215.253	-0.240	50	10	BBGE	
ClCCS[C@H]1NN[C@@H]2NCNN21	953055349	CVSCHVKYCVOHOM-WHFBIAKZSA-N	209.706	-0.999	50	10	BBGE	
Cc1nnc(C=NNC(=O)CO)s1	1118889618	OQIZTJSJFGFWLB-UHFFFAOYSA-N	200.223	-0.711	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)[C@H]1CCCO1	1119572579	MADLHTGOKIGNGN-MRVPVSSYSA-N	238.247	-0.721	50	10	BBGE	
Cc1ncc(CC(=O)NNC(=O)N(C)C)o1	1119594560	YRKNLIOBZIGZOA-UHFFFAOYSA-N	226.236	-0.172	50	10	BBGE	
CC[C@H](F)C(=O)NNC(=O)[C@@H]1COCCO1	1126607921	ATDYSKUJDOIMDW-BQBZGAKWSA-N	234.227	-0.703	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1n[nH]cc1F	1135554875	AHIMBAVLFDXIRJ-UHFFFAOYSA-N	214.200	-0.034	50	10	BBGE	
CNC(=O)NNC(=O)CCc1ncccn1	1142142997	VQMAPHXBLHUUCX-UHFFFAOYSA-N	223.236	-0.631	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N[C@H](C#N)CO)cn1	1157964072	SOLXGVNWENGVKD-DEOKZEPKSA-N	245.242	-0.672	50	10	BBGE	
C[C@H](Br)C(=O)NC1(C(N)=O)CC1	1179518518	UZUSKOIYWDGACX-BYPYZUCNSA-N	235.081	-0.096	50	10	BBGE	
COCCN(C)NC(=O)C[C@@H]1CCNC1=O	1332557947	IVXQCAUXVQYAKJ-QMMMGPOBSA-N	229.280	-0.878	50	10	BBGE	
NNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	1332946494	NTNGRWRFDHHXJL-ZCFIWIBFSA-N	214.225	-0.858	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)c1cocn1	1625811577	MVIIUUOXGZXLQU-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
COc1nccc(C(=O)NNc2ccn(C)n2)n1	1638665812	PWNZSVVUFZFTSK-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
CC[C@@H](OC)C(=O)NNC(=O)c1ccnnc1	1643024725	PYVPRDXORKNMFU-MRVPVSSYSA-N	238.247	-0.337	50	10	BBGE	
NC(=O)C1CN(C(=O)[C@@H]2C[C@H]2Br)C1	1877402678	GAROZZCDZMCSGT-PHDIDXHHSA-N	247.092	-0.287	50	10	BBGE	
COC[C@H](CC(=O)NN)NC(=O)OC(C)(C)C	1880025082	YLSYOAYHZAJXSO-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NN	1880030887	PTPMGWTTWQAKBD-UHFFFAOYSA-N	242.239	-0.245	50	10	BBGE	
O=C(F)NCc1ncc(B(O)O)s1	1882783550	GZVLGTPGAJBPPD-UHFFFAOYSA-N	203.991	-0.998	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1C[C@H](O)[C@H](O)C1	1883644912	KFRIPJTWWYCHGQ-ZTYPAOSTSA-N	205.641	-0.822	50	10	BBGE	
O=C(NCB(O)O)c1csc(Cl)n1	1883808585	XEQAWPXSLVQWSJ-UHFFFAOYSA-N	220.446	-0.462	50	10	BBGE	
CS[C@H](C(=O)NCB(O)O)C1CC1	1886738031	LFZSEBWUKWSLCQ-LURJTMIESA-N	203.072	-0.744	50	10	BBGE	
N[C@H]1CC(C(=O)NCC(Cl)Cl)=C[C@@H]1O	1887268360	GITWKURMKMSKMQ-WDSKDSINSA-N	239.102	-0.075	50	10	BBGE	
O=S(=O)(NOCCCl)N1CCOCC1	1888307532	FEMSYTJXHUOWAF-UHFFFAOYSA-N	244.700	-0.677	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@]2(CO)C1	1894666212	OFTFWMNPNPLJAF-FTYOSLGDSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@@H]1CC[C@H](C(=O)NN)C1	1896032747	VFLDXNQUSPBSGO-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
C#CCCCCCCNC(=O)C#CB(O)O	1901036257	JBYGBLBAPPJQJI-UHFFFAOYSA-N	221.065	-0.298	50	10	BBGE	
CC[C@](C)(CN1CC(COC)C1)C(=O)NN	1902712112	BEDCUPLRIPTVGF-LLVKDONJSA-N	229.324	-0.029	50	10	BBGE	
Cc1cccc(NC(=O)NC#N)c1B(O)O	1905159760	FFLANMVVOOZDAK-UHFFFAOYSA-N	219.009	-0.723	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911288670	OQQMYPVAJMTPAQ-ZRUFSTJUSA-N	241.335	-0.439	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)NN(C)C	1913211967	OKRXBPBFSHMRCO-RITPCOANSA-N	201.226	-0.280	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926418761	CXIBUYXEGSPMDP-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
Cc1nc(SCC(F)(F)C(=O)NN)n[nH]1	1927811740	ADHBDHGGJBFNBD-UHFFFAOYSA-N	237.235	-0.170	50	10	BBGE	
CO[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1F	1928693838	IBVOEVLDWCSFGJ-XLPZGREQSA-N	219.260	-0.719	50	10	BBGE	
CN(C)NC(=O)[C@H](CN)[C@@H]1CCOC1	1930482038	YORDZVJZLPMQRS-HTQZYQBOSA-N	201.270	-0.809	50	10	BBGE	
NC(=O)NC1CC(NC(=O)CCl)C1	1932441406	VEKCSPUYAJDNFK-UHFFFAOYSA-N	205.645	-0.459	50	10	BBGE	
CN(C[C@@H]1COCCCO1)C(=O)NN	1933314108	XOFISFCURJGVBZ-SSDOTTSWSA-N	203.242	-0.693	50	10	BBGE	
CC[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936089828	FJXWERFGDGMVKK-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
CO[C@]1(C)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094253	LPGKCGNTZSNUPD-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
CN(Cc1cnns1)C[C@@H]1C[C@@H]1C(=O)NN	1936094629	OSPCSLZXLDWWCO-XPUUQOCRSA-N	241.320	-0.404	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@H](C)S1	1936533490	IAYMUWHSTOKLFM-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H]2[C@H]1[C@@H]2C(=O)O	1938152909	HBLNPPBMAAYWHJ-PRJMDXOYSA-N	227.264	-0.032	50	10	BBGE	
C=C1CON(Cc2cc(B(O)O)ccc2C)C1	1944608465	RRLSOWKKCJEFNV-UHFFFAOYSA-N	233.076	-0.022	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@H]1COCCCO1	1948415364	DQAHMIUCIRZPDL-OPRDCNLKSA-N	244.291	-0.566	50	10	BBGE	
CC(=O)N[C@H](CCl)CS(C)(=O)=O	1951358259	VXJYSHDSXIABOV-ZCFIWIBFSA-N	213.686	-0.226	50	10	BBGE	
CCS(=O)(=O)NC1CN(C(=O)Cl)C1	1954858389	HBKGYGVNEHVSGC-UHFFFAOYSA-N	226.685	-0.031	50	10	BBGE	
CCS(=O)(=O)CCN(C)C[C@@H](O)CCl	1956771932	FNIXYHWXJPRRPO-QMMMGPOBSA-N	243.756	-0.047	50	10	BBGE	
OC1CN([C@H]2CCN(C[C@@H](O)CCl)C2)C1	1958217290	IKCSKOAMEPMVKX-IUCAKERBSA-N	234.727	-0.663	50	10	BBGE	
CSC[C@H](NC(=O)C(=O)NN)C(C)(C)C	1958672416	LCMJJPIWZZKFLJ-LURJTMIESA-N	233.337	-0.130	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	1961406522	LPICZJIZANBUQN-NQMVMOMDSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H]3C[C@H]32)CC1	1961509857	WLKWZNRIRZGUFD-SFYZADRCSA-N	211.265	-0.770	50	10	BBGE	
Cc1ccnc(O[C@@H]2C[C@@H]2C)c1B(O)O	1961688527	VIQLQUYVNYKKEO-JGVFFNPUSA-N	207.038	-0.143	50	10	BBGE	
NNC(=O)C(F)(F)OCCN1CCCC1	1974690240	KIPCFMWEGXPTBO-UHFFFAOYSA-N	223.223	-0.319	50	10	BBGE	
C=C1C[C@@H]1Cn1cccc(B(O)O)c1=O	1975101411	RKXOSRYTSMMONV-MRVPVSSYSA-N	205.022	-0.896	50	10	BBGE	
Cn1nnc(CN2C[C@H](Cl)[C@H]3COC[C@H]32)n1	1975949670	DHKCEROSWBCKAO-GJMOJQLCSA-N	243.698	-0.352	50	10	BBGE	
NNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1	1980828386	NCUIKLIHKQDVCC-LPEHRKFASA-N	224.308	-0.014	50	10	BBGE	
CN(CCC(=O)NN)C1(CO)CCSCC1	1981042379	ZHQAWMXCFIOFJC-UHFFFAOYSA-N	247.364	-0.444	50	10	BBGE	
CCON(c1ncncc1B(O)O)C(C)C	1981410815	DOSAXCRGNPIURH-UHFFFAOYSA-N	225.057	-0.677	50	10	BBGE	
N#C[C@@H]1CCN(CCC(F)(F)C(=O)NN)C1	1984122564	XSVZRTTVZHOMDL-ZETCQYMHSA-N	232.234	-0.153	50	10	BBGE	
CCOCCSc1ncnc(C)c1B(O)O	1986415591	SPEBGKMNUZNIAW-UHFFFAOYSA-N	242.109	-0.407	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCCN1C	1986996092	VWNMBYQZZFTISX-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CO)C12CCC2	1988759593	ASPFOVRPRSZVQI-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CN(C[C@](C)(F)C(F)(F)F)C(=O)C(=O)NN	1989422296	JDAWSAYJOBIYJL-LURJTMIESA-N	245.176	-0.275	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1	1990069804	HANKMHXXXCZCOU-SSDOTTSWSA-N	223.037	-0.924	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CCC[C@@H]2C1	1990773974	CGTREXUNIDWWSA-NXEZZACHSA-N	225.292	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](F)C[C@@H](F)C1	1990775980	DFOLGDUAFOBHDV-OCAPTIKFSA-N	235.234	-0.464	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCc1nc(=O)o[nH]1	1991703539	IJWAFBUBOJIYJV-OWOJBTEDSA-N	245.622	-0.657	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@@H]1F	1991722014	OTYGYDYRUPLTQO-JGVFFNPUSA-N	226.016	-0.574	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H]1CC[C@@H]1O	1994679225	JFMXAFRFGHNLPW-BGZDPUMWSA-N	225.244	-0.326	50	10	BBGE	
COC[C@]1(C)CC(=O)N(C[C@H](C)C(=O)NN)C1	2003990861	ALLUHKGXUAHYFO-GZMMTYOYSA-N	243.307	-0.503	50	10	BBGE	
OB(O)c1cnc(N(CC(F)F)C2CC2)nc1	2004918300	JVXVWQOBMFOERO-UHFFFAOYSA-N	243.022	-0.610	50	10	BBGE	
CCN(CC1CCC1)c1ncncc1B(O)O	2004921474	WMHDOWCKCVBOGS-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1ncccc1B(O)O	2004934103	BVIAHWBZPXHDNZ-SECBINFHSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CCC1CC1	2007065030	QJCSOOFSEBOWQQ-UHFFFAOYSA-N	232.052	-0.694	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1cc(C(=O)NN)no1	2011156767	UDHSNVRJMZSQNO-IMTBSYHQSA-N	240.263	-0.767	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H]2COC[C@@H]21	2013469066	SGAHBMSBQROINN-CBAPKCEASA-N	237.259	-0.286	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](C2(O)CC2)C1	2013927018	AAHDSAADMLRSCN-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)C[C@H](COc2cncc(B(O)O)c2)O1	2015563890	DJJIDAMVVXAJSA-SNVBAGLBSA-N	237.064	-0.292	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]2CC[C@@H]21	2015991741	YPNKHKVABSONPU-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
CCN(Cc1cnnn1C)[C@@H](C)CC(=O)NN	2019941504	PMJXJYGRTCZMJW-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
CCOc1nc(C(=O)NCC=CB(O)O)co1	2020055429	ARFOZXBGHYYYLP-UHFFFAOYSA-N	240.024	-0.629	50	10	BBGE	
CN(CCC#N)C(=O)c1ccccc1B(O)O	2022196764	RJCPBBKCRYTRIG-UHFFFAOYSA-N	232.048	-0.648	50	10	BBGE	
C[C@H]1C[C@@]1(F)C(=O)Nc1cc(B(O)O)ccn1	2025659993	MTRNZMNPGJQTMD-WKEGUHRASA-N	238.027	-0.552	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1c(=O)oc2cccnc21	2028053457	VEJWVNPGYSUNSX-RQJHMYQMSA-N	248.242	-0.385	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1C[C@H]2C[C@@H]2C1	2028426830	WKDRDNCWAVIXJP-HTQZYQBOSA-N	247.063	-0.755	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@]12CC[C@@H]1C2	2039754290	DADRFQNKSVWKMU-ZWNOBZJWSA-N	245.087	-0.217	50	10	BBGE	
CN(CC1C[C@H]2C[C@@H]2C1)c1ncncc1B(O)O	2052467962	XHUVFOKWZCJERA-UWVGGRQHSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@@H]2COC[C@@H]21	2052493107	BBGHICXFMRAEIR-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
COCc1ccccc1C(=O)NCC#CB(O)O	2077439223	RJCBEIWTIUUTQR-UHFFFAOYSA-N	247.059	-0.422	50	10	BBGE	
CNC(C)(C)COc1ncccc1B(O)O	2212599764	NHPODPBBEVSKLZ-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
C[C@H](COc1cc(B(O)O)ccn1)[C@@H](C)N	2212613968	RLKUEJYQAGTICL-HTQZYQBOSA-N	224.069	-0.877	50	10	BBGE	
CCc1nn(C)c(C(=O)NNC(N)=O)c1Cl	2212716048	WCILNDRWRQRZTR-UHFFFAOYSA-N	245.670	-0.051	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213027174	FWJMJHFIGXYNAU-KJPMQGKISA-N	239.319	-0.685	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](N(C)C)C2(CC2)C1	2215132949	ISRINPNCGGBCQT-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2COCC[C@@H]21	2215775732	IRSFCFWPKGDDPH-DBIOUOCHSA-N	239.319	-0.277	50	10	BBGE	
CN(C)CC1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215776262	LSNWBOHJAPDOCK-QWRGUYRKSA-N	240.351	-0.504	50	10	BBGE	
CC(=O)NCCN(C)C[C@H]1CC[C@H]1C(=O)NN	2215777700	URUXNOXHMWBMCS-NXEZZACHSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@]2(CCO2)C1	2215778126	XLLSFVUMIARGRO-HOSYDEDBSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CCO)C2)CCC1	2216491605	BFCUIFZHKCSJNJ-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
COC[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2217178624	YLFGQPAQOCHBDF-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)Nc1ncccc1B(O)O	2217183194	JMKJKIJIYLODCF-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
CC(C)[C@@](C)(CO)Nc1cc(B(O)O)ccn1	2217198873	HMUIIWCNAIYZCG-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCOC1	2217205439	YYWUAFVFEVCZLY-IUCAKERBSA-N	236.080	-0.402	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@]12CCC[C@H]1C2	2217409412	RTDBOTCZYAQJLC-KWQFWETISA-N	234.064	-0.887	50	10	BBGE	
CC(C)C[C@H](C)Cn1cc(B(O)O)cnc1=O	2217412965	QPGLTDVIIDUULL-VIFPVBQESA-N	238.096	-0.395	50	10	BBGE	
OB(O)c1ccnc(N2N[C@H]3CC[C@H]2C32CC2)c1	2223633892	COXVFWQIBVQIFO-UWVGGRQHSA-N	245.091	-0.603	50	10	BBGE	
Cc1cnc(N[C@H](C)c2ncc[nH]2)cc1B(O)O	2223640517	LSRXNFWXECTTQV-MRVPVSSYSA-N	246.079	-0.034	50	10	BBGE	
Cc1cnc(N2C[C@H](O)C23CCC3)cc1B(O)O	2223642232	ZGXWGNCGOIVBCP-JTQLQIEISA-N	248.091	-0.827	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1c1cc(B(O)O)ccn1	2223676371	AHAIVBPKMQHBLI-GXSJLCMTSA-N	249.123	-0.533	50	10	BBGE	
Cc1cc(B(O)O)c(CN(C)C#N)s1	2241559520	OEJSTXRXJQHPQD-UHFFFAOYSA-N	210.067	-0.351	50	10	BBGE	
C[C@@H](CO)CN1CCC(B(O)O)CC1	2241741073	ILLFDWWBZIPLBR-MRVPVSSYSA-N	201.075	-0.446	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)c1occc1B(O)O	2243365458	MTJAANFGROGIMQ-IYSWYEEDSA-N	243.455	-0.684	50	10	BBGE	
Cc1cc(C(=O)NCC(C)C)oc1B(O)O	2243378414	SKZAONJEQIDETF-UHFFFAOYSA-N	225.053	-0.346	50	10	BBGE	
COC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243404238	LERZJUXYOLYVCT-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
CCSCCNC(=O)c1coc(B(O)O)c1	2243409543	KDBQCYLSDRQAPM-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243415535	XGAABFNHAQBXTQ-XSPKLOCKSA-N	227.069	-0.610	50	10	BBGE	
C=C(CS(=O)(=O)N1CC(CCC)C1)B(O)O	2243432899	FRXJDHADIHPYDG-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
O=C(Nc1cnsc1)c1cc(B(O)O)co1	2244205859	OFWZEEJOTVUOFE-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1cocc1B(O)O	2244206413	WLNUQCBIKVFRHB-ZCFIWIBFSA-N	230.963	-0.903	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)C1(CO)CC1	2247732570	HOVIVQQNGAXOPW-MRVPVSSYSA-N	241.096	-0.339	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1CF)c1coc(B(O)O)c1	2247734358	SIJMEKMBGQHLBY-BQBZGAKWSA-N	241.027	-0.705	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1coc(B(O)O)c1	2247735898	PTRMANJDCPJUOJ-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2247747559	PDCRFSUOQRPGIS-SECBINFHSA-N	236.080	-0.291	50	10	BBGE	
CCC1CC(NC(=O)c2ccc(B(O)O)o2)C1	2247747732	RRLVFGUGGVKIKA-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)C1(B(O)O)CC1	2247753104	BOBYPTJMQPPOSX-IUCAKERBSA-N	240.112	-0.456	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)C(=O)c1occc1B(O)O	2247754028	CWOHBHKLBQUIII-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
O=C(NCC1CCC1)c1ccc(B(O)O)cn1	2247771103	SWWSSACHFZBGSF-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
O=C(NCC[C@@H](O)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247787247	MLIRIQJCSNDXNL-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)C2(CCC2)C1	2247797071	FZOFAQXZSAWWEA-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1coc(B(O)O)c1	2247857815	YSIVBXZAAHYRHC-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247870841	QQVCRODTLMHHJB-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC=C=CCCNC(=O)c1occc1B(O)O	2247878652	PEAMSVGFYYPSTN-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
Cc1nc(CCNC(=O)C2(B(O)O)CC2)no1	2247878695	MFSUJJXHMAAVNB-UHFFFAOYSA-N	239.040	-0.956	50	10	BBGE	
CC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2247887191	LGIRRVKXOUHVPN-IWSPIJDZSA-N	243.112	-0.095	50	10	BBGE	
Cc1nccn1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247895328	RFNHZPSWBWXEON-RKDXNWHRSA-N	237.068	-0.829	50	10	BBGE	
CC[C@](C)(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248579025	XDBDHAKUIGNENE-SECBINFHSA-N	243.068	-0.390	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]21	2255464796	BCMUCVYSZHEXNJ-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255470475	DVPBVZAPUHRURM-QMMMGPOBSA-N	249.079	-0.925	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1nc(C)ccc1B(O)O	2255486964	IICCKNOROXUDSU-WCBMZHEXSA-N	248.091	-0.402	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1occc1B(O)O	2255488345	BYKNVXHSGHTDBI-SHVZVANBSA-N	247.059	-0.656	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H]2CCO2)c1	2255509457	MABMLPASJZKGKG-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
Cc1ccc(C(=O)NC[C@H]2CCO2)cc1B(O)O	2255513999	BOEFWLILWXRNJY-SNVBAGLBSA-N	249.075	-0.806	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1C(=O)C[C@@H]1C	2255515063	RWQPUWDDEBTNBG-ZETCQYMHSA-N	247.059	-0.564	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2255518138	HUCBDPLQDLTKML-VIFPVBQESA-N	246.075	-0.591	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1cn[nH]c1	2255689710	OYDAWFNAPCWLMT-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(F)cc1B(O)O	2255690942	JPMQRDNPNQVIOC-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165807	ZSJJLCRRYFKTBV-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@@H]21)[C@H]1C[C@H]1B(O)O	2298368637	PRRKGYPCUUWCNN-GENCIFFESA-N	238.096	-0.894	50	10	BBGE	
CNCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370267	ULDCBIHIVBPTIF-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1CO2)[C@H]1C[C@@H]1B(O)O	2298370432	YJLDWBCHSKIPMW-SQQIUAQRSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CN[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298374652	HMFLZLDDPKXEJZ-VFCFLDTKSA-N	238.096	-0.894	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298560636	QNVQMRZVBFTNHW-UEWQFTGXSA-N	239.080	-0.467	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@H](C(=O)NN)C2)C1	2299034741	GYHFLLNGMGGZRT-ONGXEEELSA-N	241.335	-0.029	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2299935621	YFHZSMNWUMODJI-PKIKSRDPSA-N	241.096	-0.389	50	10	BBGE	
CCC1(O)CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300375236	VUCCULKJDYVYTP-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@@H](C)N	2301341969	VANNDINBBJJOTF-SFYZADRCSA-N	234.064	-0.647	50	10	BBGE	
CC(C)(N)CNc1ccc(B(O)O)cc1C#N	2301346712	UFODZDXUPAKCLO-UHFFFAOYSA-N	233.080	-0.613	50	10	BBGE	
C[C@H](CCCC(=O)NN)OCCn1cncn1	2301987019	RKLMTQVTOXWRJW-SECBINFHSA-N	241.295	-0.157	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@@H]3CNCC[C@@H]32)c1	2312614537	UJKMOZKWMKVOLE-MIMYLULJSA-N	248.091	-0.862	50	10	BBGE	
C=CC[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2317156862	WTJKGOVCCUCTQX-NSHDSACASA-N	246.075	-0.413	50	10	BBGE	
C#CCN(c1ccc(B(O)O)cc1C#N)C1CC1	2317162028	PJTILRHLZLAQQS-UHFFFAOYSA-N	240.071	-0.160	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(B(O)O)cc2C#N)CN1	2317162632	SMWMDCCKIPDANJ-KWQFWETISA-N	246.075	-0.633	50	10	BBGE	
N[C@H]1CC[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317313378	VYQJAAFJSXLFPO-PELKAZGASA-N	248.091	-0.672	50	10	BBGE	
C[C@@H](Oc1ccc(C=O)c(B(O)O)c1)[C@@H]1C[C@@H]1N	2317350883	ZHRKOHNVBSFXSX-VHRDEZTHSA-N	249.075	-0.707	50	10	BBGE	
Cc1nc2ccccc2n(CC(=O)NN)c1=O	69051657	VCWXSTYSGWHQQZ-UHFFFAOYSA-N	232.243	-0.305	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCc1ccccn1	82466668	ZJBPWVMUPYUJQD-VIFPVBQESA-N	222.292	-0.066	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)c1ccccc1	127099196	VOFHCQHYBHSSAE-QMMMGPOBSA-N	221.260	-0.104	50	10	BBGE	
CS(=O)(=O)N1CCCCC[C@H]1C(=O)NN	216920517	BXWIURHAXMHDKQ-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
C[C@@H](Br)C(=O)NC[C@H](O)CO	235056542	PIOMBVWEIAAKSY-UHNVWZDZSA-N	226.070	-0.761	50	10	BBGE	
CCOC(=O)N/C=C/C=N/NC(N)=O	238265564	LMNSUDVFFJDVED-COBAKMAKSA-N	200.198	-0.100	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)OC[C@H]1C)C(=O)NN	251550032	BZUFJQRVAXXRAG-DJLDLDEBSA-N	215.297	-0.278	50	10	BBGE	
Nc1sc2cc(B(O)O)ccc2c1N	306578905	MTNDQPNTQAASJH-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@@H](O)CNc1nc(N)nc(CCl)n1	306702862	HYNUCORSSZEJKS-SCSAIBSYSA-N	217.660	-0.015	50	10	BBGE	
Nc1cc(B(O)O)cc2cc(O)sc12	306718424	HGIMOEOGLRXCJC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1O[C@@H]2[C@H](Br)[C@H](O)[C@@H]3[C@@H]1[C@H]23	307297833	SUTMOCMMWLPLHZ-DCXGYFNXSA-N	219.034	-0.088	50	10	BBGE	
C[C@@H]1O[C@H](OCCCl)[C@H](O)[C@H](O)[C@@H]1O	307576818	NVKRALSJYXPFIY-WCMLQCRESA-N	226.656	-0.931	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@]1(C)CN	309047852	ODRHBWMZEZPEJY-MRTMQBJTSA-N	214.313	-0.719	50	10	BBGE	
N#Cc1cnn(Cc2cc(C(=O)NN)no2)c1	310082457	DSXWPNKFOCHFQW-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
CO[C@@H]1CCC[C@H]1Oc1cncc(B(O)O)c1	310534185	OVFLSKZSDKCZMD-GHMZBOCLSA-N	237.064	-0.292	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)CNC1CC1	381592368	KASLFHCPQXGWCJ-POYBYMJQSA-N	211.265	-0.458	50	10	BBGE	
CN(C)C1CN(Cc2cc(C(=O)NN)co2)C1	382370704	ZWJXUDMHPKAOCY-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NCc2cn[nH]c2)[nH]1	390675229	VDDDSQCTWYODFS-UHFFFAOYSA-N	239.670	-0.220	50	10	BBGE	
CN(C)CCN(C)CCC(C)(C)C(=O)NN	395818344	PVMUNFMGRQFSPG-UHFFFAOYSA-N	230.356	-0.114	50	10	BBGE	
COc1cccc(B(O)O)c1CCC=O	396036230	ZDTHVJDSMFRVME-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CSSCCNC(=O)C(=O)NN	397797459	UIXNSUVFCZSTGE-UHFFFAOYSA-N	209.296	-0.896	50	10	BBGE	
O=C(Cn1cccn1)Nc1ccc(B(O)O)cc1	404955778	XGJVCRLRTWLBCZ-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NCc1cc(B(O)O)cs1	405001225	LWFSWNDKQUGKCO-MUWHJKNJSA-N	239.105	-0.300	50	10	BBGE	
CNNC(=O)c1csc(NC(C)=O)n1	606283552	FSYDBJSACSARFK-UHFFFAOYSA-N	214.250	-0.034	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)[C@H](C)C(=O)NN)CO1	688487139	KZEOWZAWBANMTI-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
N#CC1(O)CCN(CCn2cc(N)cn2)CC1	692069374	DFIIMGGNOSEMFY-UHFFFAOYSA-N	235.291	-0.184	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C	695087326	MWWCOTKHCZFEAJ-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)C[C@@H]1C	706206778	HONZBJXHYCLLLZ-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
COCC1(N(C)Cc2ccc(B(O)O)cc2)CC1	707117809	QHFRYEUSKWTSKC-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCn1cccn1	707430939	NXCRJJXYMLFMBG-UWVGGRQHSA-N	239.323	-0.171	50	10	BBGE	
CC1(C)CO[C@H](Cn2ccc(B(O)O)n2)C1	708541315	AVXSAHOLCNAUJW-QMMMGPOBSA-N	224.069	-0.622	50	10	BBGE	
OB(O)c1cc(F)ccc1Cn1ccnn1	710741976	SWLPYNXWQJDBEC-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H](F)[C@@H](F)C1	714517278	GUDQQIDCMABEDG-QWRGUYRKSA-N	241.046	-0.142	50	10	BBGE	
COCCN(CCC(=O)NN)C1CCOCC1	716492904	VCBDCYYMXNFBLN-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
CN(C[C@@H]1CCCSC1)C(=O)C(=O)NN	718294658	MJHLBXOKFYKKOS-ZETCQYMHSA-N	231.321	-0.422	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CCN(C)C2	718900210	ABWBCIWXCFREHM-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
O=C(O)C(=O)CSC[C@@H](O)CCl	725376796	CYSQHFWVZFKZDG-BYPYZUCNSA-N	212.654	-0.027	50	10	BBGE	
CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cn1	762131381	LMRQAHYNZRBMCZ-UHFFFAOYSA-N	224.176	-0.229	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cnn(CC)n1	815121686	BIKPTMMXIISTEG-UHFFFAOYSA-N	240.267	-0.348	50	10	BBGE	
Cc1nnc(NNC(=O)C#CC2CC2)n1C	856053427	SXFBGBUJCGOTRC-UHFFFAOYSA-N	219.248	-0.020	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CC1CSC1	867672772	TXQKVZMKXGFQGN-UHFFFAOYSA-N	232.305	-0.342	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@]12CCCN(CC1)C2	900386295	QAWFYOPHHGXBNC-NSHDSACASA-N	240.307	-0.177	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CCF)cn1	900748150	ZQWGWJDSUHFHPC-UHFFFAOYSA-N	214.200	-0.459	50	10	BBGE	
O=C1N[C@@H]2CNNN2[C@@H]2CC[C@H](Cl)C[C@H]12	953054997	LEWHXSZSXLNXAB-HSNKUXOKSA-N	230.699	-0.457	50	10	BBGE	
Cc1cc(=NNC(=O)c2nc[nH]n2)cc[nH]1	1301221304	ICTFDSNOXBOXNV-UHFFFAOYSA-N	218.220	-0.313	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(C)CC[C@H](C)O	1307478986	MCNZDUSAVYLTNC-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
O=C(CCc1ncc[nH]1)NNC(=O)NC1CC1	1543955712	LBQHPKCZJCKDKO-UHFFFAOYSA-N	237.263	-0.165	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc([C@H](C)O)s1	1597341634	ROKOTWBWPKSELE-BYPYZUCNSA-N	244.276	-0.230	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2cnn[nH]2)C=CCC1	1627302042	NTCGTLRMWBDQLJ-SNVBAGLBSA-N	235.247	-0.078	50	10	BBGE	
CNC(=O)C1(C(=O)NNc2ccncn2)CC1	1637046897	DFXXTERLNCAFNV-UHFFFAOYSA-N	235.247	-0.554	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(=O)c1cccnn1	1686071773	BQNJFAHGFJQVDR-ZETCQYMHSA-N	248.246	-0.420	50	10	BBGE	
NC[C@@H](CO)C(=O)NC1CC(Cl)C1	1882801905	LFSNZSZMODHXCV-VTSJMVTISA-N	206.673	-0.560	50	10	BBGE	
COC(=O)[C@@H](CCCl)NS(C)(=O)=O	1884091265	XQRXAIZRFPSGKU-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
CCCOCCN1CC[C@@H](B(O)O)C1	1891559319	IBHGBCATEPAMNT-SECBINFHSA-N	201.075	-0.038	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@H](F)C1	1893410630	LYWNVIIXOGRBKJ-RITPCOANSA-N	221.615	-0.151	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@H]1C[C@H]1Cl	1893447338	XNLXXPROXLRPND-TXXZRHAASA-N	219.668	-0.386	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@@H]1C[C@H]1C(=O)NN	1894529449	QYHINDPPTJLZKN-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CC[C@@H]1CN([C@H](CC)C(=O)NN)C[C@H]1CO	1897985071	DNJRXEQGMPOULT-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](O)CCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1899927600	RPMXTPHCJJVXLV-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
N#CCCC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1900607662	PCBADTNNVBQIEU-UWVGGRQHSA-N	222.292	-0.152	50	10	BBGE	
C[C@]1(O)CN(C(=O)CCCl)CC[C@H]1O	1901104763	JFEMDYCYWDEVNH-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
COC[C@H](CN1CC[C@](C)(B(O)O)C1)OC	1902542185	WJLRBWSHGXCYDS-UWVGGRQHSA-N	231.101	-0.413	50	10	BBGE	
Cc1nn(CCOCC(=O)NN)c(C)c1F	1902652666	HSROKGAKDKEKET-UHFFFAOYSA-N	230.243	-0.354	50	10	BBGE	
CCn1nnc(C(=O)NNC(N)=S)c1C	1923551734	NQZGMZFVDYHCBR-UHFFFAOYSA-N	228.281	-0.916	50	10	BBGE	
N[C@H]1CC[C@H]1NS(=O)(=O)CBr	1923842691	OEJVSRDSBCJMEX-CRCLSJGQSA-N	243.126	-0.252	50	10	BBGE	
CN(CC(N)=O)S(=O)(=O)C(Cl)Cl	1923944308	PUGWNHYXLIGVSV-UHFFFAOYSA-N	235.092	-0.506	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)CC3(CC3)C2)CC1	1926436780	ZERPSCPTUOUPEU-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
CC[C@@H](CO)N(C)CC(F)(F)C(=O)NN	1927816837	SQMLHUZXQDEKEW-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CSC2)C1	1928606296	RLHPZSUFPHTXDF-SSDOTTSWSA-N	215.322	-0.196	50	10	BBGE	
CCN(CC)CC(=O)NNC(N)=S	1929596616	DLJMXXXYFPFQSS-UHFFFAOYSA-N	204.299	-0.807	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@@]1(CO)CO2	1931129995	YIICONGSAFNDOO-LKEWCRSYSA-N	219.668	-0.024	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CCOC)C1	1932057490	LCOSSRUIWZMKHT-VIFPVBQESA-N	215.297	-0.277	50	10	BBGE	
OCC[C@@]1(CO)CCN(C[C@H](O)CCl)C1	1932830738	SZZMCZUICSIXHV-ZJUUUORDSA-N	237.727	-0.347	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)C(=O)C(=O)NN	1933032037	JCBVYTVJDVKGRI-BYPYZUCNSA-N	207.180	-0.910	50	10	BBGE	
Cc1cnc(=O)n(C[C@@H]2C[C@@H]2C(=O)NN)c1	1936083049	QANGMPWVCJJNEV-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
COC[C@@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1946479965	YPNVNNALBVJYCN-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
Cc1ncc(CN2CC[C@@H](B(O)O)C2)n1C	1951321038	XBCYXTMBEWDUGP-SECBINFHSA-N	223.085	-0.223	50	10	BBGE	
O=C(OCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955547975	FDFLHVWBPBNLAA-JRTVQGFMSA-N	221.640	-0.255	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1CN(C)C[C@H]1O	1955570469	XYDSQIMJSMSIOG-BIIVOSGPSA-N	220.700	-0.205	50	10	BBGE	
CN(CCC(=O)NN)C1CCC(O)CC1	1958634055	QVXNSUFQJTUSHI-UHFFFAOYSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2conc2C1	1958699465	MTUOGFOVLHDGSI-MRVPVSSYSA-N	210.237	-0.241	50	10	BBGE	
O=C(Cn1cnnn1)N1CC=C[C@H](Cl)C1	1960193954	FQEKCBOIYVCSEK-ZETCQYMHSA-N	227.655	-0.321	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@H]2C)c(B(O)O)c1	1961686343	CFFOARJAUBAIDN-VXNVDRBHSA-N	207.038	-0.143	50	10	BBGE	
Cc1cc(N(C)C(C)C)ncc1B(O)O	1961689827	FAKJXAZHYHVVQZ-UHFFFAOYSA-N	208.070	-0.086	50	10	BBGE	
NNC(=O)NCCOC(=O)N1CCCC1	1975241002	MVCNJNRMPDRWAZ-UHFFFAOYSA-N	216.241	-0.608	50	10	BBGE	
CC1CC(CO)(N(C)CCCC(=O)NN)C1	1978668409	ATVFMYROEOFUJN-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](OC1CC(n2cccn2)C1)C(=O)NN	1986220740	CGNWLKUQRIDNCE-AFPNSQJFSA-N	224.264	-0.018	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(C1)OC[C@@H](O)[C@@H]2O	1986229909	CLLGUICCGYGSJE-RNJXMRFFSA-N	249.694	-0.663	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H]1[C@@H](C)O	1990039627	STTVTGIUDULLED-AEJSXWLSSA-N	229.324	-0.010	50	10	BBGE	
COC1(C(=O)N[C@H]2CCC=C2B(O)O)CC1	1991332864	RWNIFXYXOZVPCM-QMMMGPOBSA-N	225.053	-0.618	50	10	BBGE	
COC[C@@]1(NC(=O)C=CC(=O)Cl)CCNC1	1991662112	IDEDSHZZJOCPSO-SNVBAGLBSA-N	246.694	-0.197	50	10	BBGE	
CCNC(=O)C1CN(C(=O)/C=C/C(=O)Cl)C1	1991706342	OPRGHJRKRBQPFX-ONEGZZNKSA-N	244.678	-0.098	50	10	BBGE	
N#C[C@@H](Cl)CN1CCn2c(CN)nnc2C1	1994046414	JSBFCCXJPQHCPG-SSDOTTSWSA-N	240.698	-0.317	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999844903	BKQQUXQIHZKXPR-HHKYUTTNSA-N	241.335	-0.296	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CC(F)(F)C1	2004912183	PVPWIYWKRLEONU-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
C[C@H](CN1CCCC[C@H]1CC(N)=O)C(=O)NN	2011912925	PDNORUJBGMKQBS-BDAKNGLRSA-N	242.323	-0.658	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2C[C@H]2C1	2014928891	LXRUNKUVZHPZRY-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
COC1(C(=O)N[C@H]2CCC=C2B(O)O)CCC1	2020069251	ZAFQZURBHKOQEW-VIFPVBQESA-N	239.080	-0.228	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CC[C@H]2C[C@@H]1C2	2021282525	GATGJTFRTNAGOX-XKSSXDPKSA-N	234.064	-0.276	50	10	BBGE	
CO[C@H]1C[C@@H]1COCc1cccc(B(O)O)c1	2022703260	YGZHPPAKQRPNSV-PWSUYJOCSA-N	236.076	-0.082	50	10	BBGE	
CC[C@H]1C[C@@]1(N)C(=O)N1CCC(O)(C#N)CC1	2025665895	SXOHGVSSVTVMMX-CABZTGNLSA-N	237.303	-0.009	50	10	BBGE	
CC[C@H]1C[C@]1(N)C(=O)N1CCC(O)(C#N)CC1	2025665896	SXOHGVSSVTVMMX-JOYOIKCWSA-N	237.303	-0.009	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C[C@@H]1C[C@H]1C(=O)NN	2049571669	UWTGJZLEKLTAEE-KHQFGBGNSA-N	249.318	-0.077	50	10	BBGE	
CN(CCN(C)C1CC1)c1ccncc1B(O)O	2052465871	DMRPVOQDGNFEIX-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3COC[C@H]3C2)nc1	2052466051	GACAITMLJTXECC-NXEZZACHSA-N	248.091	-0.766	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]3CNC[C@@H]32)CC1	2054043701	FCRRXYPIPDFZOH-MXWKQRLJSA-N	249.314	-0.281	50	10	BBGE	
CCc1cc(C=O)c(OC)c(B(O)O)c1	2060166917	CJHSVQCKVLWXPQ-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
C[C@]12CC[C@@]1(C)CN(c1ncc(B(O)O)cn1)C2	2060858176	MPZCKKKUGQYDHH-TXEJJXNPSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCC[C@H]3C2)nc1	2065200765	ZRDDINGYULOVSD-ZJUUUORDSA-N	247.107	-0.217	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn2cnnc2c1	2076082066	POUNPPFJCVRBRA-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccccc1B(O)O	2079008357	ILFWXTWUOIPPHK-RKDXNWHRSA-N	245.087	-0.248	50	10	BBGE	
CC#CC(C)(C)Nc1ncc(B(O)O)cn1	2212604288	VQOVSEOSDXINJM-UHFFFAOYSA-N	219.053	-0.630	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1Cc1cccc(B(O)O)c1	2214597430	WDAPQBYIVOVJHU-SKDRFNHKSA-N	234.108	-0.712	50	10	BBGE	
CCNC(=O)CN(C)C[C@H]1CC[C@H]1C(=O)NN	2215775340	ZZSMZLBVTYJXBJ-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCCCN2)nc1	2217183784	NZDUJLKGOZHLKE-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
C=CC[C@@H](CN)COc1ccc(B(O)O)cn1	2217192130	MXFDOYXFDQJKIN-VIFPVBQESA-N	236.080	-0.709	50	10	BBGE	
COCCC1(Nc2cc(B(O)O)ccn2)CC1	2217205280	WWMVBSDFCBUDHR-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
CSSCCNC(=O)C#CB(O)O	2241478205	ADQOPXFPTNPJKA-UHFFFAOYSA-N	219.096	-0.871	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1C[C@@H]1B(O)O	2241495570	KRXPAWNGFAAYBO-KBGZMJGOSA-N	217.461	-0.265	50	10	BBGE	
C[C@H](CO)CN1CCC(B(O)O)CC1	2241741074	ILLFDWWBZIPLBR-QMMMGPOBSA-N	201.075	-0.446	50	10	BBGE	
NNC(=O)N[C@H]1CC[C@@H](C(N)=O)CC1	2242075768	OJTJNDRRVMNPNF-OLQVQODUSA-N	200.242	-0.797	50	10	BBGE	
CON(CC1CC1)C[C@@H](C)C(=O)NN	2242155072	VRRHEZYZMFKYQU-SSDOTTSWSA-N	201.270	-0.114	50	10	BBGE	
CC(C)N(CCN)C(=O)C1(B(O)O)CCC1	2243359721	WUBXLRCHOVOCQK-UHFFFAOYSA-N	228.101	-0.421	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CC1)N(C)C	2243363780	MHIASQPKZRWFJY-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1cn[nH]c1	2243364545	YTKRYBLXPLQYTQ-ZCFIWIBFSA-N	223.041	-0.406	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)c(C)s1	2243381158	CVOYMJZAVZBWEF-LURJTMIESA-N	237.089	-0.512	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243398655	GLGDTNJICBGWNM-SSDOTTSWSA-N	224.069	-0.531	50	10	BBGE	
CC#CCCNC(=O)c1ccoc1B(O)O	2243401861	XYRYITIQJMNEID-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2243404992	XWRGMIIKRUXXPM-YIZRAAEISA-N	226.085	-0.907	50	10	BBGE	
C#CCNC(=O)c1ccc(Cl)cc1B(O)O	2243410723	GSFPAKORYZVUCI-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)C1(B(O)O)CC1	2243410987	LWTGLFHWJGVIPQ-ZETCQYMHSA-N	229.085	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)NC(C)(C)C1CC1)B(O)O	2243412643	QPZKWOQGDUNKEE-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(B(O)O)s1	2243414657	FURONSFGHVPEME-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
CN(Cc1ccsn1)C(=O)[C@H]1C[C@@H]1B(O)O	2243415093	OAIVSKHKIWCLHQ-YUMQZZPRSA-N	240.093	-0.036	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1(F)F	2243426722	KTYWSGQCNFLYBE-BWBBJGPYSA-N	233.023	-0.133	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@@H]1Cl	2243713367	UXACTKSKHICWSO-RITPCOANSA-N	240.455	-0.673	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CN(C)CCC(=O)NN	2243791453	AUBIOESANNQDNH-GXSJLCMTSA-N	229.324	-0.029	50	10	BBGE	
O=C(NCCC#CB(O)O)C(F)(F)C1CC1	2244549129	YRKUUOZJGIMQPJ-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
OB(O)c1cncc(OCc2ncco2)c1	2245259334	XUOHVZCWLKLTCD-UHFFFAOYSA-N	219.993	-0.672	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC=CCl	2246252979	AYJHFXYTRVVELQ-UHFFFAOYSA-N	243.455	-0.250	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC(F)(F)C12CCC2	2247344394	GGFOHRTUPCBCGZ-LURJTMIESA-N	247.245	-0.082	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2coc(B(O)O)c2)[C@@H]1C	2247736021	RKZMSDXYCAHCGD-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(C(F)(F)F)C1	2247741846	GQBNFAXBBAWDBU-UHFFFAOYSA-N	248.997	-0.294	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	2247744781	YBRQHTUXVNALRM-ZXFLCMHBSA-N	243.018	-0.496	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2247750853	OWAQSJAJKACCKB-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
O=C(N1CCN[C@@H]2CC[C@@H]21)C1(B(O)O)CCC1	2247756398	LWDCKSZXNBOCOY-BDAKNGLRSA-N	238.096	-0.654	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cn1C)C(F)F	2247765298	YJEISEVUNYLGNP-RXMQYKEDSA-N	246.022	-0.912	50	10	BBGE	
CC(C)[C@@H](C)N(C)C(=O)c1c[nH]nc1B(O)O	2247798829	XMVOGISBTRJCHK-SSDOTTSWSA-N	239.084	-0.794	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247806909	GTWMVHGQLGCDIX-RGOKHQFPSA-N	241.096	-0.077	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CCO)[C@@H]1C[C@@H]1B(O)O	2247809094	NTSOSSMCKQYQFW-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
NCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCCC1	2247809271	OMIMHJXGRZELDD-UWVGGRQHSA-N	240.112	-0.421	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)CC2(CC2)C1	2247810186	VMLLHMBETSBSJL-DJLDLDEBSA-N	239.080	-0.777	50	10	BBGE	
CN(C[C@H]1CCC[C@H](F)C1)C(=O)C#CB(O)O	2247841052	DOLHXYAMJFBUHQ-UWVGGRQHSA-N	241.071	-0.012	50	10	BBGE	
O=C(C#CB(O)O)NCCCOC1CCCC1	2247849652	CRZAGRGTURCXJZ-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1O[C@H]2C=C[C@H]1C2	2247850642	QYVLABKFCUHMDX-BQBZGAKWSA-N	235.004	-0.956	50	10	BBGE	
C[C@@H]1NCCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247851570	GTDMNNYKNKYSGM-AXTSPUMRSA-N	240.112	-0.504	50	10	BBGE	
C=CCN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247854408	CEVUACYMQLRLNB-VHSXEESVSA-N	238.096	-0.821	50	10	BBGE	
Cc1cc(C(=O)NOC(C)(C)C)oc1B(O)O	2247891056	FEALEMYZLKUBOX-UHFFFAOYSA-N	241.052	-0.272	50	10	BBGE	
O=C(N[C@@H]1CC12CCOCC2)[C@@H]1C[C@H]1B(O)O	2247897089	NUFGZRULOAANIO-IWSPIJDZSA-N	239.080	-0.465	50	10	BBGE	
C[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898920	ISIMQQVHJLZRCQ-KKZNHRDASA-N	241.096	-0.530	50	10	BBGE	
C[C@]1(CCO)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899933	RPKKBWOZFWWNAE-ATZCPNFKSA-N	241.096	-0.530	50	10	BBGE	
C[C@H](C#N)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247900669	YTPXUNMFEHJLBZ-JEZHCXPESA-N	236.080	0.000	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249383199	MHWKRZYROAXUOM-WPRPVWTQSA-N	241.096	-0.266	50	10	BBGE	
C=CC[C@@]1(CO)CCCCN1C(=O)C(=O)NN	2250440792	NLYOPFOHJROSIH-NSHDSACASA-N	241.291	-0.704	50	10	BBGE	
Cc1cccc(C(=O)N2CC3(CC3)C2)c1B(O)O	2255514629	LHXKOKUSSFPKOP-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
CC1=C(C)CN(C(=O)c2c[nH]nc2B(O)O)CC1	2255547635	HDZUQWKYXUNGMT-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1cc(B(O)O)n[nH]1	2255550600	YJPPCQQKDAAPPX-UHFFFAOYSA-N	249.079	-0.992	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CC=CC1	2255566965	WFVQOFJBODKCLO-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1cc(C)cc(B(O)O)c1	2255689645	OGINICHSKCRADI-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
C#CC[C@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2255726220	SYCGAEQRKURLFL-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
O=C(NC[C@H]1CC=CCC1)c1n[nH]cc1B(O)O	2255763480	LYSHPNABEALWGL-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
O=C(NC1CC(n2cccn2)C1)[C@H]1C[C@H]1B(O)O	2255768548	IEEVWEXXRFUGMO-HORUIINNSA-N	249.079	-0.434	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2O)C1	2256018280	XXCNOZACMFNONI-QMMMGPOBSA-N	249.075	-0.446	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1nccnc1B(O)O	2256052946	JIPBYPODBSLBFV-NSHDSACASA-N	249.079	-0.829	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCC[C@@H]1C	2257487667	PAPJEYHKRVQVRY-VIFPVBQESA-N	248.091	-0.306	50	10	BBGE	
OB(O)c1ccnc(NCCN2CC[C@H]3C[C@@H]32)c1	2261370302	QSOHUTWZOXMURE-ONGXEEELSA-N	247.107	-0.733	50	10	BBGE	
N[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298370074	NOPPGYYADXRSKM-JXUBOQSCSA-N	240.112	-0.517	50	10	BBGE	
CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371454	LQVWZGLLPLNHMD-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463614	OSTFZBNIYPUDNW-LXGUWJNJSA-N	241.052	-0.829	50	10	BBGE	
NNC(=O)CCCCCCN1CCOCC1=O	2300628229	NNHLCIIXSWETNI-UHFFFAOYSA-N	243.307	-0.214	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)Cn2cccn2)C1	2303103173	CTFZSZJNJPHHOZ-JTQLQIEISA-N	237.068	-0.652	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303837252	XNQAVBUQEUDJIC-HZGVNTEJSA-N	240.043	-0.653	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306282832	HBUDYKUTCBQIIW-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
N[C@H]1CC[C@@H]2C[C@]12COc1ccc(B(O)O)cn1	2312614249	CTNBZRACJITGJB-UBHAPETDSA-N	248.091	-0.732	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]nc1B(O)O	2312849848	ZQSYXXGZVFBVBO-PRJMDXOYSA-N	249.079	-0.992	50	10	BBGE	
CC(=CC(=O)Nc1ccc(B(O)O)cc1)C(=O)O	2314014453	FFLBTFNRJAAFNI-UHFFFAOYSA-N	249.031	-0.664	50	10	BBGE	
CC[C@@H](CCN)Oc1ccc(B(O)O)cc1C#N	2317205375	DQAIKGJRQOVPLI-NSHDSACASA-N	248.091	-0.256	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2C[C@@H]2CO)cc1B(O)O	2317309722	VILCOCDPQCBZKC-VHSXEESVSA-N	249.075	-0.781	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1COCCO1	38063258	DDRIJTYRONYGFU-LURJTMIESA-N	236.655	-0.534	50	10	BBGE	
CO[C@@H]1NC(=O)C(OC)(OC)[C@H]1Cl	39347079	YRSKQPLHRGDHDT-WHFBIAKZSA-N	209.629	-0.315	50	10	BBGE	
COc1cccc(C(=O)NNC(=O)[C@H](C)N)c1	49828522	LIDZKLLJVPXFHV-ZETCQYMHSA-N	237.259	-0.197	50	10	BBGE	
C[C@@H](Sc1nncn1C)C(=O)NN	70154951	MTTMZBLFGDLCNC-SCSAIBSYSA-N	201.255	-0.714	50	10	BBGE	
C[C@H](C(=O)NN)n1nnc(-c2ccco2)n1	82471600	NKDWPDXSANHZCR-RXMQYKEDSA-N	222.208	-0.516	50	10	BBGE	
C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NN	82472597	LBUWANBNUWCCBY-SCSAIBSYSA-N	238.276	-0.177	50	10	BBGE	
CN1CCN(CC(=O)NN)[C@H](c2ccccc2)C1	113174914	ZLNOTXJQTXUGMC-LBPRGKRZSA-N	248.330	-0.035	50	10	BBGE	
O=C1COCCN1C[C@@H](O)CBr	156262552	GOYXKPWHIJDRRE-LURJTMIESA-N	238.081	-0.399	50	10	BBGE	
CN1CCN(C(=O)C(=O)NCCCCl)CC1	170359041	GCQDKFROXMYHBD-UHFFFAOYSA-N	247.726	-0.495	50	10	BBGE	
COc1c(B(O)O)c(=O)[nH]c2c(OC)cccc12	195820529	YDGKBAXSULHQJN-UHFFFAOYSA-N	249.031	-0.775	50	10	BBGE	
CC(C)NC(=O)Nc1cccc(B(O)O)c1	195836042	FPBLPNNLIDUSDD-UHFFFAOYSA-N	222.053	-0.104	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](CCC)C(=O)NN	212114021	YOYZSNFKEDWVPK-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H](N)C(C)C)B(O)O	213690231	DPVYMNCQRPIQEA-DTWKUNHWSA-N	230.117	-0.343	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC(O)C1	235121407	QEDUXCWCUJATBQ-SCSAIBSYSA-N	208.055	-0.027	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cccc(C(=O)NN)n1	235247904	LYBBARMFHSTXBX-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
Cc1cc(B(O)O)cnc1-c1ncco1	238454415	ZLSLZQJYZNRDMH-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
N[C@H](CCNC(=O)CBr)C(=O)O	238667727	LAFIFOQIWYJUBU-SCSAIBSYSA-N	239.069	-0.701	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCOC1	251023395	DQILNYFMLNLHBI-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
CNCCc1ccc2c(c1)CC(=O)N2C(=O)NN	258808919	SGLGJRWRKINOGL-UHFFFAOYSA-N	248.286	-0.079	50	10	BBGE	
CCS(=O)(=O)CC1=C(C#N)S(=O)(=O)N=C1	260084458	ISEXLCUZRCRUMK-UHFFFAOYSA-N	248.285	-0.387	50	10	BBGE	
N#C[C@H](O)c1ccc(N2CCNC(=O)C2=O)cc1	260302851	DHBHKZUQVHOXNK-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)[C@H]2CCCO2)c[nH]1	294112964	YUQNTZXHSAMLCX-MRVPVSSYSA-N	238.247	-0.342	50	10	BBGE	
OB(O)c1cc(O)c2scc(O)c2c1	306847218	JMLZQKPDIOGSLG-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Cc1ccc(Cn2cccn2)cc1B(O)O	307303372	FZBRGNAELGKDOY-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCCC2)C1	379792423	GXHWJDSEHAHCET-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
CNC(=O)c1ccn(C[C@H](O)CCl)n1	389322312	SACSSQJYNWZUOW-ZCFIWIBFSA-N	217.656	-0.158	50	10	BBGE	
O=C(CCl)NC(=O)N1C2COCC1COC2	399821835	QLGQWDZBJRURRK-UHFFFAOYSA-N	248.666	-0.439	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(C)(CO)CC1	402731917	CXRGVLCSWRVHQA-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
NC(=S)NNC(=O)c1ccnc(F)c1	606283483	AGFATWGQDKIYJF-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
CN(C[C@H](O)C1CC1)CC(C)(C)C(=O)NN	690155644	MRYPEZMBFQCPOV-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N2CCCCCC2)C1	697757177	ZQBRVUYDXMGMCN-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CN1CCN(C2CN(C[C@@H](O)CCl)C2)CC1	697966033	SSBMNBQFOBLYBU-NSHDSACASA-N	247.770	-0.482	50	10	BBGE	
CC(C)CN1C[C@H](C(=O)NNC(N)=O)CC1=O	700840824	IEYHGVCKGZUWBO-SSDOTTSWSA-N	242.279	-0.810	50	10	BBGE	
CNC(=O)CCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703411283	IXGJVPUHUWQJEL-YUMQZZPRSA-N	240.259	-0.571	50	10	BBGE	
Cc1nn(C)c(C)c1/C=C/C(=O)NNC(N)=O	705998164	UJKKIDZORIXSDJ-SNAWJCMRSA-N	237.263	-0.250	50	10	BBGE	
CO[C@@H](C)CCC(=O)NNC(N)=S	706052564	DTMSRSZYICKHIK-YFKPBYRVSA-N	205.283	-0.334	50	10	BBGE	
CCOC[C@H]1CN([C@H](C)CC(=O)NN)CCO1	706700020	JUUKROPMTJSTQE-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H]1[C@H](C)O	708480641	BAAGRJVJVNKMAZ-IVZWLZJFSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CN1CCS[C@@H](C(F)(F)F)C1	721411486	GAUWVEIBNHFHPH-RXMQYKEDSA-N	243.254	-0.044	50	10	BBGE	
Cc1ccn(Cc2nsc(C(=O)NN)n2)n1	724347302	GLHMLSCZZUEIIT-UHFFFAOYSA-N	238.276	-0.305	50	10	BBGE	
COCC(=O)NN=Cc1ccc(O)cn1	755772522	HEDJSPIZTDHUPS-UHFFFAOYSA-N	209.205	-0.116	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC[C@H]1C(N)=O	757145910	LZNUNNRZBOFIJO-UHNVWZDZSA-N	233.655	-0.591	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)Cc1ccncc1	900931094	DGWDMIFULURESP-ZMWSMAPVSA-N	249.270	-0.292	50	10	BBGE	
Cc1nc(C=NNC(=O)c2cn(C)nn2)[nH]c1C	1118591948	QEJYVWQIRFLGJU-UHFFFAOYSA-N	247.262	-0.081	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1cccnn1	1153523862	MYJNGVBZMMFPQD-BYDTYLDUSA-N	236.231	-0.825	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cc(O)n(C)n1	1330235797	BZFDIDLPOIRUTJ-UHFFFAOYSA-N	241.251	-0.522	50	10	BBGE	
CCN(CCO)NC(=O)c1ccnc(CO)c1	1570727583	WIIUQIDMTMNQAI-UHFFFAOYSA-N	239.275	-0.467	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CN(C)C	1641242591	CAQUDCIAKISMCO-DTWKUNHWSA-N	243.307	-0.490	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)[C@@H]1CCC(=O)N1	1641312105	AJEKKPFXZFOLKW-VEMNSZJBSA-N	237.259	-0.455	50	10	BBGE	
CP(C)(=O)CCC(=O)NNC(N)=S	1882002566	RNWLKVRVTASCRO-UHFFFAOYSA-N	223.238	-0.136	50	10	BBGE	
CC(C)(CSC1CNC1)C(=O)NN	1882122120	XYTSRUJNVWAQBS-UHFFFAOYSA-N	203.311	-0.293	50	10	BBGE	
NCC[C@H](O)C(=O)NC[C@H]1C[C@@H]1Cl	1883552511	NCBYODLQCBWPIY-VQVTYTSYSA-N	206.673	-0.560	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NOC1CNC1	1883647006	HIFFENLGZZHGLQ-OWOJBTEDSA-N	204.613	-0.672	50	10	BBGE	
CC=CCOCCn1cc(C(=O)NN)nn1	1884276753	UOGHVNAIGYZNPS-UHFFFAOYSA-N	225.252	-0.526	50	10	BBGE	
O=C(CCl)N1CCN2CCOC[C@@H]2C1	1886682918	WUURPYOSFRTJPP-QMMMGPOBSA-N	218.684	-0.232	50	10	BBGE	
CN(C)NC(=O)[C@H](N)[C@@H](O)C(C)(C)C	1889662606	XMWSIUAPOJUMDQ-RNFRBKRXSA-N	203.286	-0.687	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)C=CC(=O)Cl	1893410899	PHISWWYRJZMSNH-NTSWFWBYSA-N	221.640	-0.834	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCOC[C@H]1CO	1893452936	JJUCPPCIRSQCNP-CSMHCCOUSA-N	219.668	-0.167	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@H](O)CO	1893509116	JAIDKNNRVVTURO-UGQQDIOTSA-N	221.640	-0.833	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@@H]2C[C@@H]21	1897042113	QQXRXOZMEHKTTK-KXUCPTDWSA-N	225.292	-0.116	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CC[C@@H]1C	1899933890	CXJSGWAFHXTIPI-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
CC(C)CCNC(=O)c1cnsc1B(O)O	1900450132	HHTWLHCFYSQNSJ-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CNC(=O)CSCCC[C@@H]1C[C@H]1C(=O)NN	1900532732	CBYLKYHUDZXBKX-HTQZYQBOSA-N	245.348	-0.128	50	10	BBGE	
C#C[C@H](C)Nc1ccc(B(O)O)cc1C#N	1901198820	DCVXGXHZMGVPDH-QMMMGPOBSA-N	214.033	-0.328	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1CC[C@H]1N	1901375366	KTYGDVJZYQFUME-JGVFFNPUSA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@@H](O)[C@@H]1C	1901753772	ZLHIWRPZODMHSQ-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
OCc1cc(CN2CC[C@@H](B(O)O)C2)no1	1902505420	HUTKKQULOQNRBO-SSDOTTSWSA-N	226.041	-0.784	50	10	BBGE	
O=C1NCCCC[C@@H]1N1CC[C@@H](B(O)O)C1	1902506952	YYMVCQIUQLTMDR-BDAKNGLRSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1cc(N2CC3(CC3)C2)ncc1F	1903006010	NZAJDWYTHPZEBG-UHFFFAOYSA-N	222.028	-0.499	50	10	BBGE	
CC(C)(N)COc1cc(B(O)O)c(F)cn1	1903021652	VKMMTUAWNZPKGW-UHFFFAOYSA-N	228.032	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCO[C@H]3C[C@H]32)C1	1908359213	TYIZYMPBBNNPAJ-ZDCRXTMVSA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N1C[C@@H](C)C(=O)NN	1912243430	YVYMBVZVJQYEOW-PRJMDXOYSA-N	213.281	-0.131	50	10	BBGE	
CN(CCOC1CC1)Cc1cccc(B(O)O)c1	1914541226	CKWJLOQLGDMEAW-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN(C)[C@H](C#N)C1	1914868484	DYMCEKVFTDLQPM-VHSXEESVSA-N	239.323	-0.715	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CC[C@H]21	1924378033	YXVHHNUBVKGKKP-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
CN(C)[C@H]1CN(c2nnnn2C)C[C@H]1Cl	1928370386	LPYFSLMHWAOVDV-RQJHMYQMSA-N	230.703	-0.432	50	10	BBGE	
O=S1(=O)CCON(CCCl)CC1	1928669346	FXHFUJXNDZNEBW-UHFFFAOYSA-N	213.686	-0.113	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCCS(C)(=O)=O)C1	1928756241	SESXFMGOLLNPAZ-YUMQZZPRSA-N	240.756	-0.458	50	10	BBGE	
COCC[C@H]1CN(C(=O)NN)CCO1	1929426741	QDMISRVSYXHICB-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
C[C@]1(O)CON(S(=O)(=O)CCCl)C1	1930278454	SXVQGGSWJRXLCV-ZCFIWIBFSA-N	229.685	-0.447	50	10	BBGE	
CC[C@@]1(C(=O)NCB(O)O)CC1(F)F	1933063348	FTHHEKLOTUCUGU-LURJTMIESA-N	206.985	-0.450	50	10	BBGE	
CS(=O)(=O)NC[C@H]1COC[C@H]1Cl	1933389270	MDCJNBFRZMDBCP-NTSWFWBYSA-N	213.686	-0.211	50	10	BBGE	
COC(C)(C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1936089815	FFVGIPSUVNUZOX-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936093526	FJXWERFGDGMVKK-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
N=c1nc(CCCl)nc(Nn2cnnc2)[nH]1	1936601228	FQVDJDSVOMGMFY-UHFFFAOYSA-N	240.658	-0.468	50	10	BBGE	
COC[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1938247144	PJTVXSQBMWNBRN-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
CC[C@@H](OC[C@H]1COCCCO1)C(=O)NN	1939103337	XKKVDZTUHLMGRC-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]1CC1CC1	1939136294	LHPHJQHLTKBZRX-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1939967688	POCRWCJNHGKWGY-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)C2(CC2)C1	1940645438	QKAMDUDTPMCTKW-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
C[C@@]1(CO)CCN1Cc1ccoc1C(=O)NN	1947985143	FGHWCXCFEUSEEH-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](N(C)C)CC12CCC2	1949696783	HVJUQIBFFRUSPO-UWVGGRQHSA-N	240.351	-0.077	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@H]1C[C@@H]1CO	1954196465	NAKSNCIABLQUAI-NKWVEPMBSA-N	227.713	-0.227	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1C[C@H]1CCl	1955095245	JEQJJDBKLKWZPO-WDSKDSINSA-N	215.644	-0.583	50	10	BBGE	
NNC(=O)c1sncc1CSCCO	1957060370	MWQUQBSISPMSEV-UHFFFAOYSA-N	233.318	-0.028	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@](N)(C(=O)O)C1	1957255271	DZANRXQSWUTXLL-HTRCEHHLSA-N	217.656	-0.395	50	10	BBGE	
C[C@H](CN1Cc2conc2C1)C(=O)NN	1958699026	GMZBUXZVGQLUQB-ZCFIWIBFSA-N	210.237	-0.384	50	10	BBGE	
NNC(=O)CN1CCC2(CCOC2)CC1	1961279923	KIQRPZBOKJTTOH-UHFFFAOYSA-N	213.281	-0.521	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1nc(C(=O)NN)co1	1975983164	SIXBDWJZWXVXGQ-YFKPBYRVSA-N	224.220	-0.601	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N1CCOC[C@@H]1N=C=O	1978260982	MJKQDUVPSHGUBK-HRDYMLBCSA-N	246.288	-0.281	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)CC1(C)C	1980723624	VAOLYKVVYNKTHW-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	1981053802	OEFKKBRJKLVFAD-NTSWFWBYSA-N	245.666	-0.624	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ncccc1B(O)O	1981431168	WJMVGAQXXIMNKA-VXNVDRBHSA-N	223.037	-0.825	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CNCCOC1	1991662123	IEONMDIHNBJDMG-QMMMGPOBSA-N	246.694	-0.340	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSCCOC1CNC1	1993411853	ZSAKXFSVRLHSJM-CBAPKCEASA-N	245.348	-0.666	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N[C@@H]2CCCC[C@H]21	2004290430	DJXSOZLJVFZBNA-IWSPIJDZSA-N	240.307	-0.892	50	10	BBGE	
OB(O)c1cccc(CN2CCO[C@@H]3C[C@H]32)c1	2004486083	HIFDBPNPOORHCQ-VXGBXAGGSA-N	233.076	-0.661	50	10	BBGE	
C[C@H]1OCCN(c2ccncc2B(O)O)[C@@H]1C	2004925278	OHBZXBBLUHEHCZ-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)CC1(F)F	2004935989	SRJIVUVNDNIWJS-ZETCQYMHSA-N	242.034	-0.147	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	2008031623	QKPHGYOGWINHHT-LPEHRKFASA-N	247.314	-0.347	50	10	BBGE	
COc1ccc(C(=O)NCC=CB(O)O)nc1	2020068564	SMWZXDNFALVACQ-UHFFFAOYSA-N	236.036	-0.612	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@H]3C[C@H]32)nc1	2026059404	ICEBIJPCAZJJGX-FXBDTBDDSA-N	234.064	-0.276	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc2c(c1=O)CCC2	2028053480	VGPQXNYOKCLQNJ-IONNQARKSA-N	248.286	-0.642	50	10	BBGE	
NNC(=O)COCCN1Cc2ccccc2C1=O	2028854831	OLMRNNLIOJSRJG-UHFFFAOYSA-N	249.270	-0.351	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)c1ccc(B(O)O)cn1	2052468043	YMPWQUPPSDCDOO-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
CO[C@H]1CN(c2ccc(B(O)O)cn2)CC12CC2	2052473463	SSRHDBJOWBAEFF-JTQLQIEISA-N	248.091	-0.623	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)cc1F	2060116959	KRXLYZQPGCGTEA-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1cc(C(F)F)c(C=O)cc1B(O)O	2060231511	HFORIMLBEXZUHG-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
COc1c(C)ccc([N+](=O)[O-])c1B(O)O	2060379707	JFIKFIZOANGHMC-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2Cc1ccccc1B(O)O	2067398253	BUXGTNYANUSCBV-NWDGAFQWSA-N	246.119	-0.745	50	10	BBGE	
C=CCNC(=O)NCCc1ccccc1B(O)O	2067540647	QMTICZFWALQCQP-UHFFFAOYSA-N	248.091	-0.606	50	10	BBGE	
C[C@H](C(=O)N[C@@H]1CCC=C1B(O)O)n1cccn1	2076076453	NYAGBVORHNFAGS-PSASIEDQSA-N	249.079	-0.339	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCN1C)C(=O)NN	2211860474	HGNBXHGICPCEQX-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C#C[C@](C)(CC)Oc1ncccc1B(O)O	2212600650	DVMKFDBYRHSUCV-LLVKDONJSA-N	219.049	-0.058	50	10	BBGE	
Cc1cnc(NC2[C@@H]3CC[C@@H]23)cc1B(O)O	2212603176	DBPPORZEAOSQFM-HTQZYQBOSA-N	218.065	-0.110	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1cc(B(O)O)ccn1	2212603315	OBUGHONLFFOGBC-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@@H](C2)C3)c1	2212603774	RGAPMDZXLWFDTA-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1cc(B(O)O)ccn1	2212606798	AKYPZYKQVNOCJZ-DTWKUNHWSA-N	222.053	-0.980	50	10	BBGE	
C=C[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2212611727	CKGTYQNOADPLAT-VIFPVBQESA-N	218.065	-0.226	50	10	BBGE	
CS[C@@H](C)CCN=c1ccc(B(O)O)c[nH]1	2212613298	UBQMLCCIOKMFRF-QMMMGPOBSA-N	240.137	-0.263	50	10	BBGE	
C#C[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2212614789	HGBQROZYHKFHDW-VIFPVBQESA-N	216.049	-0.779	50	10	BBGE	
C=CC[C@@H](N)COc1cc(B(O)O)ccn1	2212615049	ZJWHVXHEFWIPOA-SECBINFHSA-N	222.053	-0.956	50	10	BBGE	
NCC1(F)CC(Nc2ccc(B(O)O)cn2)C1	2217172803	MRGSFFFTGMAXSO-UHFFFAOYSA-N	239.059	-0.997	50	10	BBGE	
OB(O)c1ccnc(N[C@]23COC[C@H]2C3)c1F	2217184509	PITJVGKIQBVZPX-LHLIQPBNSA-N	238.027	-0.899	50	10	BBGE	
CCNC(C)(C)COc1ncccc1B(O)O	2217185900	CSAMAODZVWXRAU-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1Oc1ccc(B(O)O)cn1	2217188371	NEJXNPJHIIWRJJ-RKDXNWHRSA-N	236.080	-0.734	50	10	BBGE	
CC(C)N(CCC#N)c1ncc(B(O)O)cn1	2217200954	WEYXMJUECMITNV-UHFFFAOYSA-N	234.068	-0.715	50	10	BBGE	
N[C@H]1CCCCN(Cc2cccc(B(O)O)c2)C1	2220053264	CMIUPCAKSOTQTD-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
OB(O)c1ccnc(NC2CC3(CCNC3)C2)c1	2223625170	CXEKYZSCLOHMTO-UHFFFAOYSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N2CCCCC23CNC3)nc1	2223634750	ODLLVTYWZAQSCL-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cscc1B(O)O	2243346816	DECXTZMQHNPEKK-LHLIQPBNSA-N	239.105	-0.044	50	10	BBGE	
CC(C)CONC(=O)c1csc(B(O)O)c1	2243349765	QCWMEOJFCONVEA-UHFFFAOYSA-N	243.093	-0.255	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccsc1B(O)O	2243358975	MLOJJAVMSNQRRO-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1csc(B(O)O)c1	2243361948	JPAWLEFCIIFJNG-POYBYMJQSA-N	239.105	-0.092	50	10	BBGE	
Cc1nocc1CNC(=O)C1(B(O)O)CC1	2243364887	DVFBXKYCNHBAFT-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)C#CB(O)O)CCC[C@H]1C	2243398190	BOOHIXLTDXNJET-UTLUCORTSA-N	223.081	-0.057	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@]2(C)C[C@@H]12	2243399427	LXZZEIWPPMXZFU-IQJOONFLSA-N	221.065	-0.351	50	10	BBGE	
CN(C[C@H]1C[C@](C)(F)C1)C(=O)C#CB(O)O	2243399525	MZWFSBROKSSKMX-CZMCAQCFSA-N	227.044	-0.402	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C(F)F	2243408650	RDLXRFZDSCUKAD-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
C[C@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2243413162	AJSAESLUCAQGJP-KTOWXAHTSA-N	227.069	-0.777	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243426937	NYBARHDKNZBDMX-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2C(N)=O)CC1	2243576803	BJCYVRZBONYJFR-IUCAKERBSA-N	219.244	-0.210	50	10	BBGE	
CN(C)c1ccnc2ccc(B(O)O)cc12	2244015681	KOALTFTVKLMODE-UHFFFAOYSA-N	216.049	-0.019	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(F)(F)C1	2244205448	JOAHBQBZBRJRGW-UHFFFAOYSA-N	230.963	-0.950	50	10	BBGE	
CCCCCNC(=O)c1cocc1B(O)O	2244206209	TUCNETPFLJDNRI-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
CCCN(CC)C(=O)c1cocc1B(O)O	2244215086	AAQPLDJZSQFUJV-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
O=C(NCC1CCC1)c1cc(B(O)O)co1	2244221711	OMYVQDBFKHWCIB-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
COC[C@H](C)CC(=O)NCCC#CB(O)O	2244547689	DRKCOSHNLFBVCL-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@H](C)O)C1CCC1	2244876837	JUCSSDAYHIEFLI-WCBMZHEXSA-N	229.324	-0.010	50	10	BBGE	
CCN(CCN)c1cc(B(O)O)c(Cl)cn1	2245913640	VHLPLSCQHJPGQV-UHFFFAOYSA-N	243.503	-0.800	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1cc(B(O)O)c[nH]1	2245940253	BCANQCKCPZALFC-UHFFFAOYSA-N	226.041	-0.676	50	10	BBGE	
CN(C[C@H]1CCOC1)C(=O)C1(B(O)O)CCC1	2247734647	VAPKYZQGTHNKPG-SECBINFHSA-N	241.096	-0.122	50	10	BBGE	
O=C(N1CCC2(CNC2)C1)C1(B(O)O)CCC1	2247750732	NJUZJDXFFRPFQR-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247753229	CZJQPNVLBVUIFZ-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CC[C@@H]2[C@@H](CO)[C@@H]2C1)C1(B(O)O)CC1	2247753519	AEGQFFPJAZOKOU-DJLDLDEBSA-N	239.080	-0.920	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCC(C)C)n1	2247754068	DNBVNTVCSUPVHN-UHFFFAOYSA-N	236.080	-0.544	50	10	BBGE	
CCCCCN(C)C(=O)c1n[nH]cc1B(O)O	2247783315	CPTBFJWLHNSRPB-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
N[C@H]1CC12CC(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247785182	HBLDPVUMLKPRFQ-FNPGPVBOSA-N	238.096	-0.765	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786823	GZXKISPCURBJQE-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
CC(C)[C@@](C)(CO)NC(=O)C1CC(B(O)O)C1	2247796654	BRXNNQKERGUWLF-NWGYLPEXSA-N	243.112	-0.237	50	10	BBGE	
CN(CCc1cnc[nH]1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247797662	LVMSKMJGJGJOFF-BDAKNGLRSA-N	237.068	-0.727	50	10	BBGE	
Cc1ncc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1C	2247798013	PLNHDMOICLMVGY-BDAKNGLRSA-N	237.068	-0.792	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247798087	QAWOELDDXJPFSG-XFWSIPNHSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1N(C(=O)[C@H]2C[C@H]2B(O)O)CCOC1(C)C	2247806820	GLKGCKBXNFDYMT-XHNCKOQMSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CN1)C1(B(O)O)CC1	2247853497	MYOAMQZLVPOFAS-LURJTMIESA-N	248.038	-0.893	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H](CO)[C@@H]2C1)C1(B(O)O)CC1	2247872358	QXPZWMYLICOQAA-XHNCKOQMSA-N	239.080	-0.920	50	10	BBGE	
Cc1n[nH]cc1NC(=O)c1coc(B(O)O)c1	2247872662	WTZDAFSMXBCXGD-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(O)C(C)C)n1	2247872861	ZPNDXFPWRNOJMG-UHFFFAOYSA-N	238.052	-0.690	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1C(=O)C1(B(O)O)CCC1	2247875530	XOJVKEVUHMOFFZ-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
CN1CC(CCNC(=O)C2(B(O)O)CCC2)C1	2247877609	CBKMZLHODOCSSK-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCN1C	2247878863	OIGPDBTULWJMSA-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCC[C@@H]1O	2247888460	ZWMGPZDBCYSDJZ-XKNYDFJKSA-N	241.096	-0.389	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247898450	DQIQWUNKQVLYOM-UTINFBMNSA-N	240.112	-0.375	50	10	BBGE	
CC(C)(CCC(=O)O)NC(=O)C1(B(O)O)CC1	2248573965	MCAPSDIYRYAOHE-UHFFFAOYSA-N	243.068	-0.247	50	10	BBGE	
C=CCN(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248587573	RILAHPSQWBXMFX-SFYZADRCSA-N	241.052	-0.661	50	10	BBGE	
O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248589220	NGVLIGOVIUDCMR-GJMOJQLCSA-N	241.052	-0.828	50	10	BBGE	
CC1(C)CCN(C(=O)c2cc(B(O)O)co2)C1	2249419990	OEHJBTTXITUFRL-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1cocc1B(O)O	2249423188	IJIXEHJSDMLGPL-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
COc1ccc(CN(C)C(=O)C#CB(O)O)cn1	2255459922	NPTUEYNRZYRUHA-UHFFFAOYSA-N	248.047	-0.936	50	10	BBGE	
CC(=O)c1ccc(CNC(=O)C#CB(O)O)cc1	2255462758	ZMAANRNKAFLQJV-UHFFFAOYSA-N	245.043	-0.479	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(c2cnc[nH]2)CC1	2255469651	SBSCDWNRVWMMHW-UHFFFAOYSA-N	247.063	-0.869	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2255474963	VNVMXWHWIHUFFO-OYNCUSHFSA-N	248.091	-0.530	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC[C@@H](C2)C1	2255485850	UMYSTTAYJDKWTH-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
Cc1cncc(NC(=O)c2occc2B(O)O)c1	2255489743	YBXUOAQWGSGUQY-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ncccc1B(O)O	2255515580	ZXWILXJIBKELTI-YUMQZZPRSA-N	246.075	-0.710	50	10	BBGE	
NCCN(C(=O)[C@@H]1C[C@H]1B(O)O)c1ccccc1	2255562886	AKZHKACGOGBZFY-GHMZBOCLSA-N	248.091	-0.159	50	10	BBGE	
N=c1ccc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)c[nH]1	2255583019	KFGQPXXZEMIRNN-KYZUINATSA-N	249.079	-0.637	50	10	BBGE	
C[C@@]1(NC(=O)c2cc(B(O)O)c[nH]2)CC=CCC1	2255679400	LDQDJWGJJYOOOO-GFCCVEGCSA-N	248.091	-0.077	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CC=CC2)n1	2255725469	MWPHMDFDPIOLTL-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
Cc1ccc(C(=O)Nc2ncon2)c(B(O)O)c1	2255734432	ASGLYFFCPDTPEJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1ccc(C)cc1B(O)O	2255735935	DMCZSHVANSGXQN-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1cncc(B(O)O)c1	2255736490	OHGDQEIMTLIHMY-RKDXNWHRSA-N	248.091	-0.463	50	10	BBGE	
O=C(O)Cc1cccc(NC(=O)C#CB(O)O)c1	2256923153	LAQKMXKMWZHKOV-UHFFFAOYSA-N	247.015	-0.732	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1cocc1B(O)O	2258132524	IBUCPWHFMPZNPV-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CCC[C@H]2C1	2258138790	OMLWHEBZSAUGTD-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2COC[C@@H]2C1	2298165265	OJOKQVGJRVXACI-XWLWVQCSSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2C[C@H]2C1=O	2298165936	GYODUECDYUGSGK-AXTSPUMRSA-N	237.303	-0.129	50	10	BBGE	
C[C@H]1CNC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368837	AAPUAPHBCFBIKG-RGOKHQFPSA-N	240.112	-0.789	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN([C@@H](C)CC(=O)NN)C2	2299131619	MIJWVSFYQOZYRD-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CCn1ncc(CN2CC[C@](C)(B(O)O)C2)n1	2303122562	FCVVPXQRTDEFIC-JTQLQIEISA-N	238.100	-0.263	50	10	BBGE	
C#CC1CN(C(=O)c2csc(C)c2B(O)O)C1	2303625455	FFAOQDQNCDNSFD-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
CO[C@@H](C)CCN=c1cc(B(O)O)c(F)c[nH]1	2303834441	GDPIOZWJHPAICF-ZETCQYMHSA-N	242.059	-0.841	50	10	BBGE	
OB(O)c1cc(N2CC3(CCC3)C2)ncc1F	2303847592	LASOSYKRSUYKID-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CC(C)[C@H](O)CNc1cc(B(O)O)c(F)cn1	2303848371	YJEHYMXKKKROIJ-SECBINFHSA-N	242.059	-0.671	50	10	BBGE	
C#CCCCOC(=O)Nc1cccc(B(O)O)n1	2316375569	JXCDJLUNFISTEN-UHFFFAOYSA-N	248.047	-0.277	50	10	BBGE	
C[C@H]1NCC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317167362	GTLLLELBJIEEOP-KCJUWKMLSA-N	246.075	-0.633	50	10	BBGE	
NC[C@H]1C[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317311851	WMAWEFCIXIXWOE-NXEZZACHSA-N	248.091	-0.814	50	10	BBGE	
CC1(COc2ccc(C=O)c(B(O)O)c2)CNC1	2317313193	SXERNFPYWBXEJP-UHFFFAOYSA-N	249.075	-0.833	50	10	BBGE	
CCn1cc(/C=N/NC(=O)COC)cn1	20828706	UBKIXFFDSJXRKT-ONNFQVAWSA-N	210.237	-0.001	50	10	BBGE	
NC(N)=NNC(=O)c1ccc([N+](=O)[O-])cc1	39123282	MBSYNFNOSZBVQV-UHFFFAOYSA-N	223.192	-0.487	50	10	BBGE	
CNC(=O)CCNC(=O)NC(=O)CCl	45014421	JBAPMZLMRFYLSH-UHFFFAOYSA-N	221.644	-0.813	50	10	BBGE	
C[C@H]1CCc2n[nH]c(=O)c(C(=O)NN)c2C1	77060493	GOLAIWGJTHEPKS-YFKPBYRVSA-N	222.248	-0.502	50	10	BBGE	
C[C@H](OCC1CCOCC1)C(=O)NN	82465373	FQGIVYBLENOOSP-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
COC1CCN(CCC(=O)NN)CC1	82467378	WDIJVJOQJAIRQK-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)CCCO1	82469319	QOCVMBFVXWOBBT-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
O=C(CCl)NCCCS(=O)(=O)O	83348441	BJFPCJRRGXXZOM-UHFFFAOYSA-N	215.658	-0.381	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)CSC	89994159	WQLOCNCFDJLLMR-LURJTMIESA-N	220.294	-0.078	50	10	BBGE	
Cc1c(C(=O)NN(C)C)cnn1CCCN	133904931	IEWUPZIVQBVBBG-UHFFFAOYSA-N	225.296	-0.253	50	10	BBGE	
O=C1C[C@@H](OC(=O)C(F)(F)F)C(=O)O1	166516750	VDOMJGLWVPHKFA-UWTATZPHSA-N	212.079	-0.066	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O	167880853	RXZFFRMOWRGHPQ-SSDLBLMSSA-N	245.666	-0.576	50	10	BBGE	
COC1CCN(Cc2ccc(B(O)O)cc2)CC1	199005207	AOAZGHICKCJVAX-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NCCCl	217236509	QHPHEAYTSJRURK-SREVYHEPSA-N	217.656	-0.669	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)NC(=O)CCCl	220586326	UKRUSPLRPFLRGK-RXMQYKEDSA-N	235.671	-0.295	50	10	BBGE	
C[C@H](CN(C)CCCCCO)C(=O)NN	227147791	CTOBRQRIQWMAQO-SECBINFHSA-N	217.313	-0.293	50	10	BBGE	
COc1nc(NS(=O)(=O)CCl)n[nH]1	234927722	YTGJDQSBKPSLGI-UHFFFAOYSA-N	226.645	-0.249	50	10	BBGE	
C[C@@H](CC(F)(F)F)NC(=O)C(=O)NN	235099354	DDUQQJIAROALMQ-VKHMYHEASA-N	213.159	-0.567	50	10	BBGE	
CCN(CC)[C@@H]1CCN([C@H](C)C(=O)NN)C1	249925813	CAEBYIQDDGJFME-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](C)(O)C1	300028833	GJIWBIDHLQXXEI-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](SCC(=O)NC1CC1)C(=O)NN	300921300	YTCSESQPRGAXAK-RXMQYKEDSA-N	217.294	-0.623	50	10	BBGE	
COc1cc(B(O)O)c(F)c(F)c1F	306763880	GPJLHVNWACUGAT-UHFFFAOYSA-N	205.928	-0.208	50	10	BBGE	
Nc1cc2sccc2c(B(O)O)c1O	306941733	QZOWBPFGGCAZGD-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=[N+]([O-])c1cc(Br)ncc1B(O)O	307111205	MZIUMIFEJFHPAO-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C[C@H]1C	307265231	FXKQFHACIDCBFK-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCc1nc(N)no1	308497286	DVDPFQKJTJGLQI-SCSAIBSYSA-N	218.644	-0.062	50	10	BBGE	
NNC(=O)CCCn1cnc(C2CC2)n1	309131266	XWSQBLJCICCFHK-UHFFFAOYSA-N	209.253	-0.074	50	10	BBGE	
CC1(C)CCN(CCC(=O)NN)CC[S@]1=O	322051376	NSDMZRFMSQLMML-MRXNPFEDSA-N	247.364	-0.401	50	10	BBGE	
O=S(=O)(CCCCl)N[C@H]1COC[C@@H]1O	323438405	CEOYLJZOMOAKJN-BQBZGAKWSA-N	243.712	-0.706	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)NNC(=O)CNC1CC1	381592369	KASLFHCPQXGWCJ-SVRRBLITSA-N	211.265	-0.458	50	10	BBGE	
N[C@@H](Cc1cccc(C(=O)O)c1)B(O)O	382674581	LBNMGNFFOAIEBW-QMMMGPOBSA-N	209.010	-0.733	50	10	BBGE	
COC(=O)[C@@H]1N[C@@H]2C[C@@H](Cl)CC[C@@H]2NC1=O	385858200	VXCXDHPZFMYVAE-RULNZFCNSA-N	246.694	-0.224	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1CO2	387743703	QPANBZOWEBJXKW-XSPKLOCKSA-N	213.281	-0.526	50	10	BBGE	
O=C(O)c1c(O)ccc2cc(B(O)O)sc12	396388477	UIMVSEDQWMFCCK-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)CCS[C@@H](C)C(=O)NN	399156874	BTTDPVWDOMPYBT-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
C[C@H]1CC[C@H](N(C)CC(=O)NN)CO1	401554317	BVKZZKHTCBPHFA-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CO[C@]1(CO)CCCN([C@H](C)CC(=O)NN)C1	402882323	ZWJLZOBSFFVWDP-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C(=O)C1CC1	404925477	ZVWXUOYLOHRNMQ-UHFFFAOYSA-N	239.105	-0.204	50	10	BBGE	
CCNC(=O)N(C)Cc1csc(B(O)O)c1	405084930	OTLBMLIQEMSIGH-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@H]1C	584991558	CTRXWKGIPQYCNG-IUCAKERBSA-N	233.076	-0.153	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NCc1ccccc1B(O)O	585025495	VUZVXAWKKKVGGT-VHSXEESVSA-N	237.108	-0.527	50	10	BBGE	
CCC[C@H](OC[C@@H](COC)OC)C(=O)NN	695707451	DVVCGNDNSNNDCG-BDAKNGLRSA-N	234.296	-0.177	50	10	BBGE	
CC[C@@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703421213	GCFLAHSEYFXYFW-CSMHCCOUSA-N	213.233	-0.326	50	10	BBGE	
CN(Cc1nnnn1C)[C@@H]1COC[C@@H]1Cl	709149230	FVWBVROUMATXAJ-NKWVEPMBSA-N	231.687	-0.352	50	10	BBGE	
NC(=O)C1CC(NS(=O)(=O)CCCl)C1	716706851	PWFQUZPQNPZLTE-UHFFFAOYSA-N	240.712	-0.592	50	10	BBGE	
C#CC[C@H](O)CNS(=O)(=O)CCl	717914640	ZXMVMXLZMOAWCO-LURJTMIESA-N	211.670	-0.514	50	10	BBGE	
COC1(C(F)(F)F)CN(CC(=O)NN)C1	724141852	LAXOXTRUUHKFDV-UHFFFAOYSA-N	227.186	-0.761	50	10	BBGE	
CC1(CC(=O)NNC(=O)[C@@H]2COCCO2)CC1	757987404	UQDYWIPXAWYTJX-QMMMGPOBSA-N	242.275	-0.261	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)[C@H]1CCCS1	819666823	GWNFFKKHHZJZKW-ZCFIWIBFSA-N	245.304	-0.835	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C	856052748	HQNXJSPOPOOTAC-PHDIDXHHSA-N	240.223	-0.768	50	10	BBGE	
CONC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1	858797687	RVCSYAUIMAMVIG-WDSKDSINSA-N	217.225	-0.554	50	10	BBGE	
CC(=O)NCC(=O)NN=c1cc[nH]cc1C	862506086	JSPWPQKZGBJRBK-UHFFFAOYSA-N	222.248	-0.609	50	10	BBGE	
COC(=O)NNC(=O)COCC(F)F	863854773	ZLPNUFIDDPCMGA-UHFFFAOYSA-N	212.152	-0.345	50	10	BBGE	
CNNC(=O)c1nnn(C)c1C(F)F	885912084	FNVYEZMBTMNINW-UHFFFAOYSA-N	205.168	-0.383	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cncc2nc[nH]c12	911443905	BFZKQITXXJTTDH-ZETCQYMHSA-N	249.274	-0.085	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccncc1	929102262	QFBCEYDHZHTDAW-RKDXNWHRSA-N	235.243	-0.123	50	10	BBGE	
COC(=O)C(=O)NN=Cc1oc(C)nc1C	1117717714	VHUNVCOKJVYDCM-UHFFFAOYSA-N	225.204	-0.085	50	10	BBGE	
O=S(=O)(CCCCl)N1C[C@H](F)[C@H](O)C1	1260051697	VLLXGVHBXABCKD-NKWVEPMBSA-N	245.703	-0.040	50	10	BBGE	
CC(=O)NNC(=O)/C=C\c1ccc(C(N)=O)o1	1290392006	OZJQGPIOLWZFNV-HYXAFXHYSA-N	237.215	-0.441	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=CCC[C@@H]1CCO1	1331722356	HQQZVQUKDYMYLT-MRVPVSSYSA-N	248.304	-0.298	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1ncccn1	1464016850	LCEXFLIQKUONTH-NUOXCJHRSA-N	208.221	-0.143	50	10	BBGE	
C#CCOCCC(=O)NNc1ccn(C)n1	1472556022	AMPAOAMVXHTHPY-UHFFFAOYSA-N	222.248	-0.097	50	10	BBGE	
CC(=O)NNC(=O)C1=C[S@@](=O)CCC1	1540496117	GLJXWXMEQXQYOV-AWEZNQCLSA-N	216.262	-0.420	50	10	BBGE	
C#CCN[C@H]1CS(=O)(=O)C[C@@H]1Cl	1880702666	JKFVFGJKEOZUFM-BQBZGAKWSA-N	207.682	-0.386	50	10	BBGE	
C[C@H](CCC(=O)NN)SC1CNC1	1882120788	MEOPEDNUWAGIGB-ZCFIWIBFSA-N	203.311	-0.150	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@@H]1C[C@H]1Cl	1883635483	XWQLSUASZFXKOV-PHDIDXHHSA-N	201.609	-0.182	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC([C@H](O)CO)C1	1887273012	FXWJRGPMQHOKIL-HTQZYQBOSA-N	221.684	-0.185	50	10	BBGE	
C[C@H]1CCC[C@@H](COCC(=O)NN)O1	1888224687	JQRXDRQHKPUPHK-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1Cl	1893453464	NDLZNYXDHQZHMW-XLPZGREQSA-N	220.700	-0.348	50	10	BBGE	
NC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1Cl	1893453743	QBBCAFIJVWTNLL-XUTVFYLZSA-N	218.684	-0.296	50	10	BBGE	
COCCN(CC(=O)NN)C1CCC1	1893793687	NQDZZPGKEGASPR-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H]1C(C(=O)Nc2ncc(B(O)O)s2)[C@@H]1C	1895721371	APUIMVOMVJHXST-RFZPGFLSSA-N	240.093	-0.337	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1900508076	XUWVYZXEISGKRP-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CCCC(=O)NN)Sc1nc(=N)[nH][nH]1	1901752971	PWPBTUWBWRLUTO-RXMQYKEDSA-N	244.324	-0.142	50	10	BBGE	
NNC(=O)C(F)(F)COCC1[C@@H]2COC[C@@H]12	1902164623	GVNGLVFULNRVQB-PHDIDXHHSA-N	236.218	-0.479	50	10	BBGE	
O=S1(=O)CCC[C@@H]1CN1CC[C@@H](B(O)O)C1	1902513015	OVLDCKIUQODKPU-RKDXNWHRSA-N	247.125	-0.888	50	10	BBGE	
C[C@]12C[C@H]1CN(Cc1nc(B(O)O)cs1)C2	1902643391	YLNKXSBWQVODNQ-OIBJUYFYSA-N	238.121	-0.335	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@H](OC)C1	1904643376	VMUMOZVJIXWQAR-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1CCCN(C[C@@H](C)C(=O)NN)S1(=O)=O	1912284207	GRYUTSBGCUBNTA-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
NNC(=O)CN1CCC2(CCC(CO)CC2)C1	1916229319	HNKGTPVZMIIZEZ-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1CN(C)C1	1928160481	JNGHERNLKDEQDE-YUMQZZPRSA-N	214.313	-0.753	50	10	BBGE	
C[C@H](C(=O)NNCCO)[C@H]1CCCCO1	1929835891	ZJHFKRCKBKECRC-DTWKUNHWSA-N	216.281	-0.195	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12	1929838312	LWSWLFTTZLBHFU-WUNNTHRKSA-N	212.249	-0.977	50	10	BBGE	
CN(C)S(=O)(=O)NC[C@H]1COC[C@H]1Cl	1933390013	RTNQTYYYCUVBKB-NKWVEPMBSA-N	242.728	-0.364	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1935707247	SEADBIMODIEMJX-IMSYWVGJSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)CCCC1=O	1936085645	RQIWQVJZFGSZDS-RQJHMYQMSA-N	225.248	-0.849	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CCOCC1	1936093209	BRZKGHYNZIZWFH-WPRPVWTQSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1938249134	QHWSSPLLVLAGOD-LLVKDONJSA-N	227.308	-0.397	50	10	BBGE	
CN(CCOCC(=O)NN)CC1C[C@H]2C[C@@H]2C1	1941780347	ORRVRFXKSNNQRY-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3OCC[C@@H]3C2)CC1	1945889023	KOPXKZQRAUKBQD-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@H](N)C1	1950190828	HLFSRVIVHVLRDT-UWVGGRQHSA-N	242.323	-0.645	50	10	BBGE	
OB(O)[C@H]1CCN(CC2CCOCC2)C1	1951320683	PRFQBCFROWZUBF-JTQLQIEISA-N	213.086	-0.038	50	10	BBGE	
CC1(C(=O)NNC(N)=O)CCOCC1	1957141262	ZCBCMNVVRZDLQC-UHFFFAOYSA-N	201.226	-0.497	50	10	BBGE	
C[C@H](Cl)CC(=O)NCc1nnnn1C	1957317688	JJDVUPNNSFRASQ-YFKPBYRVSA-N	217.660	-0.156	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CC[S@@]1=O	1961553731	PLELBZJSYSJJCG-GLEZIHRCSA-N	233.337	-0.791	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1C[C@@H]2C[C@H]2C1	1967964104	QPSBRFYYDOYZID-CIUDSAMLSA-N	224.069	-0.393	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](N=c2cccn[nH]2)C1	1974994503	BDZVNRMKQVSBHR-NKWVEPMBSA-N	247.707	-0.285	50	10	BBGE	
CN(C)NC(=O)NCC1(F)CC(C(=O)O)C1	1976946861	GHEHDJYJZYMGGE-UHFFFAOYSA-N	233.243	-0.035	50	10	BBGE	
C[C@@H](CN(C)CCOCC(=O)NN)C1CC1	1978613009	HKHFMSGOXDORPD-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC=C(CO)CC1	1980967155	PYVUNEXMRYLHLJ-UWVGGRQHSA-N	225.292	-0.763	50	10	BBGE	
CP1(=O)CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1981160152	GRIWXIUITXVUKY-RKDXNWHRSA-N	245.263	-0.079	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1ncncc1B(O)O	1981408415	AHCZLCLLEBJUNI-APPZFPTMSA-N	221.069	-0.609	50	10	BBGE	
CC[C@H]1CCN(c2ccc(B(O)O)cn2)C1	1981415062	ZQNDASCDYWTOSC-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
COC(C)(C)COc1ccncc1B(O)O	1981429568	FZJISZOFVNERAK-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCCN1C	1986996091	VWNMBYQZZFTISX-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1(CCO)CC1	1988601034	FYIYKEMAOMISJC-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NCC[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991709641	MTYKNHPPGPAFMA-CMLYIYFCSA-N	246.694	-0.116	50	10	BBGE	
C=C(CN(C)C[C@]1(OC)CCOC1)B(O)O	1992160614	YUZANDKKOZUCTQ-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1c1nncs1	1994562908	ISLYYFIQDJPCTB-RXMQYKEDSA-N	241.276	-0.809	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]1c1ncon1	1997769461	ZWLXLPSOZBRGBH-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
C[C@]1(C(=O)N[C@@H](CB(O)O)C(=O)O)C=CCC1	2003321838	AUPPTLYWSKMAON-XVKPBYJWSA-N	241.052	-0.615	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCCn1ccnc1	2003834857	JRKIQVOTIFSBNT-SNVBAGLBSA-N	239.323	-0.027	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CCCNC1=O	2004246796	IDJXONIUHGJIFA-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CN(Cc1nccs1)c1ccncc1B(O)O	2004925130	MKNGKYWASWVXAG-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@H](C)C1	2005015612	COXWSJGDAVLNHU-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
COc1ccncc1CN(C)CCC(=O)NN	2008257564	RZOHKVJJSOPDCA-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
O=C(NCB(O)O)c1ccnn1[C@H]1CC1(F)F	2008765172	LUVQMFSXVQQJSY-LURJTMIESA-N	244.994	-0.795	50	10	BBGE	
C=CC1(O)CCN(CC2(C(=O)NN)CC2)CC1	2018851774	QKBUHFVFIQWQFK-UHFFFAOYSA-N	239.319	-0.231	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)C[C@@H](C)O1	2019216010	YRRGBRKPKIIZAO-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@]23CCCOC3)n1	2021314750	WOBIWPCOSYYLAX-ONGXEEELSA-N	236.080	-0.620	50	10	BBGE	
Cc1cc(N(C)C2(C)COC2)ncc1B(O)O	2026728753	YHEZQPSOHLEGIV-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1nnc(-c2ccco2)n1	2028050551	IFANGHKJKAVRRZ-RNFRBKRXSA-N	248.246	-0.441	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC12CCC2	2052473351	RLYDXPNTBFQIKE-SNVBAGLBSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnccc1N1CC(N2CCCC2)C1	2052493092	AYBCEPDEXBRNFS-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@@H]2CCO[C@@H]21	2056375694	NUTWOVGCEDQGTH-AXFHLTTASA-N	247.059	-0.660	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)CC12CC2	2068137200	FPVCDCWNDYBWPN-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
COc1cccc(O)c1C(=O)NCC#CB(O)O	2077492938	TWQBXVPVHDKLKO-UHFFFAOYSA-N	249.031	-0.854	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2[C@H]3CCC[C@@H]2C3)n1	2077828494	ACULACBRZZPYPX-AOOOYVTPSA-N	247.107	-0.096	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]1C1CC1	2211136499	SIUMEKUEGLMVBT-JTQLQIEISA-N	238.121	-0.193	50	10	BBGE	
C[C@H](O)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211827658	KTDPBMIXAUYWHJ-QXFUBDJGSA-N	227.308	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC12CN(C)C2	2212307388	BRIMUHTWCZUCAP-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](CO)CSc1nccc(B(O)O)c1F	2212601060	HZKNAACXGHLNQW-LURJTMIESA-N	245.084	-0.379	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]3C2)cc1B(O)O	2212604341	OIFNRPNUVOKYQQ-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
CC(C)[C@@H]1CCN1c1cc(B(O)O)ccn1	2212616031	YMBJSAAMLJSYIJ-JTQLQIEISA-N	220.081	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC12CCCC2	2212759866	MJWJHJLRRWAQIH-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCCOCC1=O	2215775802	JBHHHELSQSGVCO-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
C[C@@]1(COc2ccc(B(O)O)cn2)CCCN1	2217174840	ZMNVHATYIAVAHD-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
C#CCN(CCC)c1nccc(B(O)O)c1F	2217179204	HWDIEVYFSDHYOB-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
C[C@@H]1OC[C@H](Nc2ncccc2B(O)O)[C@H]1C	2217179535	MDIVWBKQADFDFX-NRPADANISA-N	236.080	-0.403	50	10	BBGE	
CO[C@H]1C[C@@H](Nc2cc(B(O)O)c(C)cn2)C1	2217182227	ASZIHGHCMGNIJQ-DTORHVGOSA-N	236.080	-0.341	50	10	BBGE	
CC[C@@H](CNc1cc(B(O)O)c(C)cn1)OC	2217183714	NJFGTTJEDRMFOO-VIFPVBQESA-N	238.096	-0.093	50	10	BBGE	
CN(CC1(F)CC1)c1nccc(B(O)O)c1F	2217184645	QPBSLRBAXQXZBB-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
C[C@H](COc1nccc(B(O)O)c1F)N(C)C	2217190487	NYGWENUHNMUDSD-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
C#CC[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2217204273	HNSXKVGAZCSYFI-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@H](F)C1	2217408653	IPVSSXXDTPKADD-APPZFPTMSA-N	240.043	-0.939	50	10	BBGE	
CC1(C)CCNC[C@@H]1Nc1ncccc1B(O)O	2223638315	VVQZEESIOXOBSD-JTQLQIEISA-N	249.123	-0.439	50	10	BBGE	
C[C@H](CN1CCCC1)Nc1ccc(B(O)O)cn1	2223640839	YXCZCTAQDBTPJN-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1c1cc(B(O)O)ccn1	2223669111	GARYBBLLBRREIU-JTQLQIEISA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)[C@@H]2CC[C@@H]21	2223669521	LBOVDKIGNQSFKF-MIMYLULJSA-N	248.091	-0.889	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(c1ncccc1B(O)O)C2	2223671735	ASPIZHRLJYHYFX-BXKDBHETSA-N	247.107	-0.921	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1coc(B(O)O)c1	2243346793	CUPRYGJIZLFFEB-IYSWYEEDSA-N	227.000	-0.953	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1nscc1B(O)O	2243347245	JWCKQWCYNQBSEP-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
O=C(NC[C@@H](O)C(F)F)C1(B(O)O)CCC1	2243348251	WBBUQNBSJQEAMU-RXMQYKEDSA-N	237.011	-0.874	50	10	BBGE	
O=C(C#CB(O)O)NC1CC(CC2CC2)C1	2243356685	LNYLYALHPLFSKY-UHFFFAOYSA-N	221.065	-0.303	50	10	BBGE	
N#C[C@@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2243362396	QIAHDJMRQRSEIS-DTWKUNHWSA-N	220.037	-0.800	50	10	BBGE	
CC1(C)COC[C@H]1NC(=O)C1(B(O)O)CC1	2243363868	NOTLRDTXPSSVHG-SSDOTTSWSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)cs1	2243385933	RFSFGAQIDBAIAV-POYBYMJQSA-N	239.105	-0.092	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243396760	QLOQQFNLKIALQE-MAUMQABQSA-N	226.085	-0.907	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1csnc1B(O)O	2243410926	KJLPQAGKPRREOO-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1cocc1B(O)O	2244220908	AXXAZGAFSIHZDQ-XRGYYRRGSA-N	227.000	-0.953	50	10	BBGE	
O=C(NC1CCC(O)CC1)C1(B(O)O)CCC1	2247735760	OVEBCGKJMVHFBO-UHFFFAOYSA-N	241.096	-0.197	50	10	BBGE	
CC(C)[C@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247737230	FDEFHUPDPCIYGX-QMMMGPOBSA-N	238.096	-0.189	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@@H]1CF	2247739876	CDXLZHLEJSEPLK-MRVPVSSYSA-N	240.043	-0.731	50	10	BBGE	
CC[C@@H](NC(=O)c1n[nH]cc1B(O)O)C(C)C	2247782660	WNFUXSKLFAMNJK-MRVPVSSYSA-N	239.084	-0.746	50	10	BBGE	
CNCCC[C@H](C)NC(=O)C1CC(B(O)O)C1	2247799405	CTJGCEFQRCODFI-IDKOKCKLSA-N	242.128	-0.256	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCCNC1	2247800642	RCFMXTIPUJIEDQ-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
NC[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247808433	KWYYUNHVNUAXMV-IVZWLZJFSA-N	240.112	-0.563	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1CCC[C@@H]1O	2247810755	ZWMGPZDBCYSDJZ-QLEHZGMVSA-N	241.096	-0.389	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1cn(C)cn1	2247852714	YPOUKIIPZKCAPK-FXQIFTODSA-N	237.068	-0.540	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247854201	YQDVIYBUGXLQCB-JGVFFNPUSA-N	240.112	-0.375	50	10	BBGE	
O=C(NCC(F)(F)F)c1ncccc1B(O)O	2247866675	QEHVQOUDPZIJHI-UHFFFAOYSA-N	247.969	-0.947	50	10	BBGE	
Cc1nc([C@H](C)NC(=O)C2(B(O)O)CC2)n[nH]1	2247875077	SLTDZRONBQBUEH-YFKPBYRVSA-N	238.056	-0.703	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1occc1B(O)O	2247878306	NDLGONOKLFHREL-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
COC[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247891932	QQFYTITZUJAWIC-RZEHBIPHSA-N	241.096	-0.219	50	10	BBGE	
C[C@]12CN(C(=O)[C@@H]3C[C@H]3B(O)O)C[C@@]1(CO)C2	2247895659	BFXNKDFIUZKQQK-DEKFOEGESA-N	239.080	-0.920	50	10	BBGE	
O=C(NCC1(O)CCCCC1)[C@@H]1C[C@H]1B(O)O	2247896788	KIUKHZMNYBNDAI-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
CN1CC2CC1(CNC(=O)[C@@H]1C[C@H]1B(O)O)C2	2247898085	AGSRKCOTTLNPFI-VCZAYRLQSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)C[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2248588264	ATIMVSIDYOREIO-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)cn1C	2249301902	WBGPLMVLFBUTIV-ZETCQYMHSA-N	242.059	-0.865	50	10	BBGE	
C[C@@H](CC(=O)O)C(C)(C)NC(=O)C#CB(O)O	2249847125	YRBOSNIDSLLAHD-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
CCn1cnnc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2250324954	PJEIVZNWEDTLML-KNVOCYPGSA-N	238.056	-0.511	50	10	BBGE	
C=CC1CN(C(=O)c2cncc(B(O)O)c2)C1	2251668365	ZBBOFTAVXFNPII-UHFFFAOYSA-N	232.048	-0.981	50	10	BBGE	
CCC1(NC(=O)c2ccncc2B(O)O)CCC1	2255455080	ZURVJWUYVYOHJG-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)cn1C1CC1	2255501220	BJGATKLEHUTMHG-UHFFFAOYSA-N	248.091	-0.191	50	10	BBGE	
C#CCCN(C)C(=O)c1cccc(F)c1B(O)O	2255505029	UYRIKZJXEQCSAT-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1c(F)cccc1B(O)O	2255512132	VKQHGQYAPDJJAW-BQBZGAKWSA-N	249.050	-0.356	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cncc(B(O)O)c1	2255515931	DUDRUDBEXUCNLX-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ncccc1B(O)O	2255521492	XDTRGIGOUNAZHQ-VIFPVBQESA-N	246.075	-0.707	50	10	BBGE	
O=C(N[C@@]12CCCC[C@H]1C2)c1cc(B(O)O)c[nH]1	2255671738	WGURKOSEMMVWKG-QPUJVOFHSA-N	248.091	-0.243	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cocc3B(O)O)[C@@H]1C2	2258142959	UJUGFXYGXZYSCB-MKPLZMMCSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1nccn1C	2298371290	GOLKEDYGBLEDCN-BWZBUEFSSA-N	237.068	-0.540	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@H](O)[C@H]2C1	2298375993	AMJMUBAPYZHTRA-LRPJSKTQSA-N	239.080	-0.921	50	10	BBGE	
COCCN(C)c1ccc(B(O)O)cc1C#N	2301338310	HQCNXCIPXZCCCJ-UHFFFAOYSA-N	234.064	-0.679	50	10	BBGE	
CC(C)CCNC(=O)CN1CC[C@H](B(O)O)C1	2303149741	FUCDITKAOCIRLA-JTQLQIEISA-N	242.128	-0.303	50	10	BBGE	
CO[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303837318	YLOQPZNSGLRAMT-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H](N)[C@@H]3C[C@@H]23)CC1	2309196322	NCGIUSFKQIMHMD-CHWFTXMASA-N	249.314	-0.153	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@@H]1CCOC1	2317150355	DVSIUSORPXJCTC-LLVKDONJSA-N	246.075	-0.537	50	10	BBGE	
NC[C@@H]1C[C@@H]1COc1ccc(C=O)c(B(O)O)c1	2317312455	HKUROZFPTUXOGB-VHSXEESVSA-N	249.075	-0.848	50	10	BBGE	
O=C1C[C@@](C(=O)O)([C@H](Cl)C(=O)O)O1	13740342	KHOAAJFHOVXXID-CVYQJGLWSA-N	208.553	-0.551	50	10	BBGE	
COC(=O)[C@H]1CC/C(=C(\C#N)C(N)=O)N1	34076789	HJAUVRLQETVNDT-KXTMECRCSA-N	209.205	-0.826	50	10	BBGE	
COCC(=O)N1CCN(C(=O)[C@H](C)Cl)CC1	37831952	WJXJDNVFMZPSQE-QMMMGPOBSA-N	248.710	-0.069	50	10	BBGE	
NNC(=O)CCN1CCN(C2CC2)CC1	82470859	RICXAGYRLPTOKL-UHFFFAOYSA-N	212.297	-0.854	50	10	BBGE	
NNC(=O)CCN1CCN2CCC[C@H]2C1	86933492	LYKDWBKIMMNZFG-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)CCCC(=O)NN	134790018	RXLFYSUCDFEZKK-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=C(NCCCl)C(=O)Nc1nc[nH]n1	170359833	SROWXMKYNCOUHR-UHFFFAOYSA-N	217.616	-0.902	50	10	BBGE	
Cc1cc(=O)n(Cc2ccc(B(O)O)cc2)cn1	199004598	TZYGKJLUFXKAPG-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
OB(O)c1cnn(-c2ccnc(F)c2)c1	203615155	QBMQJTXBOZWBFL-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
CC(C)(C)NNC(=O)c1ccc2c(c1)B(O)OC2	226024178	ORSXAQZBMMQMDE-UHFFFAOYSA-N	248.091	-0.063	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	251230485	QDUXGNMDGLNQQZ-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1CSC(=O)N1	297081126	MAAUZLASMAVHST-LURJTMIESA-N	233.293	-0.579	50	10	BBGE	
C[C@@H]1CN(C[C@@H](O)CCl)S(=O)(=O)C1	306524224	XTPUHHPOLHUKRJ-RQJHMYQMSA-N	227.713	-0.132	50	10	BBGE	
OB(O)c1cc(CCl)cc2[nH]cnc12	306942799	UHFNWKGYZVQQBE-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NN	307211479	NVXNMKHRVFNPHJ-BQBZGAKWSA-N	245.279	-0.653	50	10	BBGE	
Nc1cc2ccc(N)c(B(O)O)c2s1	307375288	UIUCSAYYFUWEAC-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
Cc1ccc(Br)nc1B(O)O	307404784	LMBGHCBMLHCNSQ-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
Cc1oc(Cn2ccncc2=O)cc1C(=O)NN	310952094	RKDOAVZQQFQCGO-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CSCCOC(=O)/C(C)=N/NC(N)=O	379341672	NMQNWPUZBFOBHU-WEVVVXLNSA-N	219.266	-0.063	50	10	BBGE	
NNC(=O)c1coc(CSCCCO)n1	386723038	AHCCBWLBLPJYKE-UHFFFAOYSA-N	231.277	-0.106	50	10	BBGE	
C[C@@H]1COCCN1Cc1nc(C(=O)NN)co1	387012944	RBYDHWOWTTYTNV-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)CCCCl)C[C@@H]12	387035814	UDYSHKMPIJKCIC-KNVOCYPGSA-N	244.678	-0.264	50	10	BBGE	
CCOC[C@H](Cl)CN=c1nn[nH]n1C	393656677	JMDKOFZRFGPPHD-ZCFIWIBFSA-N	219.676	-0.312	50	10	BBGE	
O=C(CCl)NCC(=O)NCC(F)F	393678858	OUQRIIQPYARAAJ-UHFFFAOYSA-N	214.599	-0.277	50	10	BBGE	
Cc1cnn(-c2ccc(B(O)O)c(C#N)c2)c1	394657218	YIDXWMKGEQCIJX-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
CC(C)(CCN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	395599771	AWZAFWBMMKQKEQ-KNVOCYPGSA-N	239.275	-0.603	50	10	BBGE	
CN(CCOCCO)[C@@H](C(=O)NN)C(C)(C)C	395664742	FRRKUWLGNUPVMA-VIFPVBQESA-N	247.339	-0.668	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1CN(C)C	405148439	BAZVPNBAMWYWAB-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C[C@@H](O)C[C@@H]2C1	405281338	ZPHYRCKWACDCKT-AEJSXWLSSA-N	229.711	-0.132	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@H]1C2	584934404	SXDAQGBDGJAPPK-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
OC1CN(CC2=S=C=C(CCl)N2)C1	642832910	CWFMHGWTJURRBQ-UHFFFAOYSA-N	218.709	-0.347	50	10	BBGE	
COC[C@@H](CN(C)CCCCC(=O)NN)OC	691284317	BHENWMYSVQAJKI-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
OB(O)c1cnn(Cc2cccc(O)c2)c1	694530775	HLXLSROSWLLURM-UHFFFAOYSA-N	218.021	-0.683	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](CN)C1	695088911	WJYKKZDLRVSABG-ZJUUUORDSA-N	228.340	-0.328	50	10	BBGE	
COC[C@H]1CCCCN(CC(=O)NN)C1	696607310	BSDNWXFLRCRYOI-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
CN(C)CC(=O)N1CCC(O)(C#N)CC1	709385606	MRMYQQQRNPYRTF-UHFFFAOYSA-N	211.265	-0.575	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC(O)CC1	710020646	WZUMXKSBJUCWSZ-JTQLQIEISA-N	229.324	-0.152	50	10	BBGE	
C#CCCS(=O)(=O)N[C@H]1COC[C@@H]1Cl	710886089	KKMLDJNHPSFBJM-YUMQZZPRSA-N	237.708	-0.065	50	10	BBGE	
O=C(CBr)N[C@H]1COCC[C@H]1O	710941656	ASDKWSZFEZZPGF-NTSWFWBYSA-N	238.081	-0.353	50	10	BBGE	
CN(C)C(=O)NC[C]1SC=C[C@@H]1B(O)O	725687017	NUMMEDKWAQFNIG-LURJTMIESA-N	229.090	-0.107	50	10	BBGE	
NC(=O)[C@@H]1CCN1S(=O)(=O)CCl	757151985	YDDMUCAFHDSSMD-BYPYZUCNSA-N	212.658	-0.928	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	843654025	YTFLHRCMTZNWGA-HTQZYQBOSA-N	244.291	-0.016	50	10	BBGE	
CCc1nc(C#N)cc(N2CC[C@H](B(O)O)C2)n1	864236979	FHBLEWUINBVIGO-QMMMGPOBSA-N	246.079	-0.036	50	10	BBGE	
NNC(=O)Cn1c(O)nc2ccccc21	916163242	ZMBNVWZYOUTHGD-UHFFFAOYSA-N	206.205	-0.268	50	10	BBGE	
NC(=O)NCC(=O)NNc1ccc(F)cc1	920437231	SLMQEBWNRDIMNH-UHFFFAOYSA-N	226.211	-0.063	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C(=O)N1	953005655	AAZQIHRHHVHSAC-QMMMGPOBSA-N	234.064	-0.720	50	10	BBGE	
Cc1nc(C(=O)NNc2nc[nH]n2)co1	1183624527	NYJNBKAQUDFRMD-UHFFFAOYSA-N	208.181	-0.142	50	10	BBGE	
CN(NC(=O)c1ccc(C#N)nc1)C(N)=O	1319893815	ZUXNMDYDQZNVGG-UHFFFAOYSA-N	219.204	-0.391	50	10	BBGE	
Cc1cc(C(=O)NN(C)C(N)=O)ncc1C#N	1596546170	HMEKQYVYKTXJEW-UHFFFAOYSA-N	233.231	-0.083	50	10	BBGE	
Cn1nncc1C(=O)NNc1cccnn1	1597260427	KPMUJXZFAVVUJU-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H](C)CC(N)=O	1624277069	MHIHWBJSBAVGHO-DGUDBNDOSA-N	225.248	-0.190	50	10	BBGE	
NC(=O)N[C@@H](CO)C(=O)NNc1ccccc1	1636862245	MMRLSYYWPUEGCN-QMMMGPOBSA-N	238.247	-0.841	50	10	BBGE	
CC(=O)c1cc(C(=O)NNC(=O)CO)cs1	1648685824	GGPKUNHYDVJVIL-UHFFFAOYSA-N	242.256	-0.296	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	1875843999	XVBPAWWBRZUYJK-KOLCDFICSA-N	249.075	-0.869	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1COCCN1	1884411481	DBTLUCRNTOLLSB-KAVNDROISA-N	218.684	-0.139	50	10	BBGE	
OC[C@@H](O)C1CN(CCBr)C1	1887171396	OAHOWRAMOGQLLR-SSDOTTSWSA-N	224.098	-0.334	50	10	BBGE	
C[C@@H]1NC(=O)CN(C[C@@H]2C[C@@H]2Cl)C1=O	1893098431	INMIZOSJJMKRTD-ACZMJKKPSA-N	216.668	-0.039	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)[C@H](CO)C1	1893453684	PQVZOOFRTZCBTR-FKSUSPILSA-N	219.668	-0.575	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H]2C(=O)NC(=O)[C@H]2C1	1894266627	WYCQKHDGTIIQOV-RNJXMRFFSA-N	241.678	-0.288	50	10	BBGE	
O=C(O)[C@]1(O)CCN(C[C@@H]2C[C@@H]2Cl)C[C@H]1O	1897239298	UQGIBHIRITYJOK-OORONAJNSA-N	249.694	-0.504	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](C)[C@@H](O)C1)C(=O)NN	1902706422	MLKQTPYKEARSLH-QXEWZRGKSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)[C@H]2CCCN2C1=O	1906993581	HYONMECCBJUSOM-NKWVEPMBSA-N	240.263	-0.819	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NCC=CCO)[nH]1	1911769949	JZWHQUFRUKOXOP-UHFFFAOYSA-N	243.698	-0.552	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N=S(C)(C)=O	1913513017	BWMANHDOODBQMC-NTSWFWBYSA-N	207.299	-0.272	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CC(F)C1	1913635892	QCRGSUFSLJBADU-UHFFFAOYSA-N	238.027	-0.552	50	10	BBGE	
COc1ccc(CN2CC3(CC3)C2)cc1B(O)O	1914550748	VOZLWZBBERKGPG-UHFFFAOYSA-N	247.103	-0.029	50	10	BBGE	
Cc1nc(SC[C@@H]2C[C@H]2C(=O)NN)n[nH]1	1927917571	XHQGGZLRSWTHJC-NTSWFWBYSA-N	227.293	-0.169	50	10	BBGE	
CCN(CCC#N)CCOCC(=O)NN	1928177956	APTCSNNOVJGMDO-UHFFFAOYSA-N	214.269	-0.772	50	10	BBGE	
CN1C[C@H](NCCS(C)(=O)=O)[C@H](Cl)C1	1928756240	SESXFMGOLLNPAZ-SFYZADRCSA-N	240.756	-0.458	50	10	BBGE	
Cn1cnc(=NC(=O)NC(=O)CCl)[nH]1	1929100629	RQSMSLFUTAWQFM-UHFFFAOYSA-N	217.616	-0.876	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(=O)NN)C[C@@H](C)O1	1929910912	PZBSMKDEPRTZCM-AYMMMOKOSA-N	215.297	-0.136	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCON)CC1	1935251490	FZQLPGBNHDOGTH-UHFFFAOYSA-N	213.237	-0.856	50	10	BBGE	
C[C@@H]1COCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094302	LXMGLGRFUZZMKA-IVZWLZJFSA-N	227.308	-0.419	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1936104819	UNWYCFKXLYZZIF-ATZCPNFKSA-N	227.308	-0.136	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@@]2(CO)C1)C(=O)NN	1937054530	RGIZPIFRRGWVNH-KWQFWETISA-N	227.308	-0.683	50	10	BBGE	
C[S@@](=O)N1CCc2cccc(B(O)O)c2C1	1937506410	QPVHHSDLTFOTPH-MRXNPFEDSA-N	239.105	-0.982	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)CC1(C(=O)NN)CC1	1938230272	GSWDAVCAKWQCCG-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H]2CCC[C@H]21	1941084094	WCFOVCGAWYBITG-LNFKQOIKSA-N	239.319	-0.134	50	10	BBGE	
C=C1CON(Cc2ncccc2C(=O)NN)C1	1944605976	CZDZYMFMECGFGB-UHFFFAOYSA-N	234.259	-0.012	50	10	BBGE	
NNC(=O)C(=O)NC1CC(C2CCOCC2)C1	1945976481	KSAFWXWXMXPXBC-UHFFFAOYSA-N	241.291	-0.702	50	10	BBGE	
C[C@H](CN1CC2(CCC2)C[C@@H]1CO)C(=O)NN	1946221522	GHQOGKXATKJIHV-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N)CC1(C)C	1949385603	JSVPASKTLCPWKI-SECBINFHSA-N	242.323	-0.645	50	10	BBGE	
NCc1cc(C(F)(F)F)ccc1B(O)O	1951334791	SNGOECKSWTYVRT-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
O=C1CN(CCBr)CCN1	1953190782	KOQBCBKWANCNMN-UHFFFAOYSA-N	207.071	-0.187	50	10	BBGE	
NC(=O)C1(n2cnnc2CCl)CC1	1954430106	KXONPWJJPGYVAR-UHFFFAOYSA-N	200.629	-0.009	50	10	BBGE	
COCc1ocnc1CNC(=O)NN	1956238709	OFKPGYSFNCSPMD-UHFFFAOYSA-N	200.198	-0.506	50	10	BBGE	
C[C@H]1CN(S(C)(=O)=O)[C@@H](N=C=O)CO1	1956389423	PRBRCLQORIUAOK-NKWVEPMBSA-N	220.250	-0.671	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)[C@H](C)CC(=O)NN	1958268510	BEMJYDDMSIMASI-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CN(C)CCOCCC(F)(F)C(=O)NN	1975104338	PDQWOVGGRBZXQF-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CC)C[C@@H]1C	1977147239	KLNLUXYNRJDNOA-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](CN(C1CCC1)C1COC1)C(=O)NN	1977176639	INUFQWAVIBLPFF-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
CN1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NN	1981072299	FXKDZHOIKAHMCN-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CC(C)(C)CCOc1ncc(B(O)O)cn1	1981430709	RCNUZXSPMNFTGC-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccccc1C#N	1982310573	XLXVTDGGDFLNHR-UHFFFAOYSA-N	239.256	-0.112	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	1982341148	SCXDEVPESKJNLX-QYNIQEEDSA-N	244.678	-0.265	50	10	BBGE	
CN(C)[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1982378564	XDXFYDPWXLUNOW-ILWJIGKKSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ccncc1B(O)O	1984211054	FEFIDTSTUHKFJT-ZCFIWIBFSA-N	230.023	-0.149	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986730667	UDDXMUCJSIVGOU-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
CN(CC1C[C@H]2CC[C@@H]2C1)C(=O)C(=O)NN	1988192590	XPLKOVVZGZSUEO-RKDXNWHRSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](Cn1ccc(B(O)O)n1)OC(C)(C)C	1989538584	JDSVBKHFTYUIFW-MRVPVSSYSA-N	226.085	-0.234	50	10	BBGE	
O=S(=O)(CC1CC1)N[C@@H]1CCC=C1B(O)O	1991327241	ONPHCJOJBCDKIO-SECBINFHSA-N	245.109	-0.583	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]1C1CCOCC1	1992962884	VMYLOOZROQMZDM-NXEZZACHSA-N	228.292	-0.338	50	10	BBGE	
OB(O)c1cc(CN2CC(CF)C2)ccc1F	1996956547	LLZMUVHBVCDVRA-UHFFFAOYSA-N	241.046	-0.093	50	10	BBGE	
CN(CC(=O)NN)Cc1nc(C2CCC2)no1	1997737801	DOKPRGWISHKXJW-UHFFFAOYSA-N	239.279	-0.241	50	10	BBGE	
C[C@H](CN1[C@H](CO)C[C@@H]2CCC[C@H]21)C(=O)NN	2000717349	PWSGWZMWLIJTEY-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H]1CCOC1	2003783912	DYGCIPQGIFWNJI-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
CC[C@@H]1CN2CCC[C@H]2CN1CCC(=O)NN	2004369154	KNVPUVCKBIUZSG-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
OB(O)c1cccnc1N1CC(F)(C2CC2)C1	2004925408	PZTQQIYVRWKCPQ-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
Cc1cc(O[C@@H]2CO[C@H](C)C2)ncc1B(O)O	2004935572	OTJQXVVKXYBXFV-BDAKNGLRSA-N	237.064	-0.374	50	10	BBGE	
CO[C@@H]1CCCN(c2ncccc2B(O)O)C1	2004935949	SFHRACIRSSQZHL-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCCCO2)nc1	2004950110	BIPSLQRONDFUIB-JTQLQIEISA-N	237.064	-0.291	50	10	BBGE	
CON(c1ncc(B(O)O)c(C)n1)C1CCC1	2004971293	PGISBSNEUCPDTC-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1(C)CCOCC1	2006435094	FQAQTGYJKSHGDD-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@@H]1CC(N)=O	2011913257	SOXNHFONBHWIGS-SECBINFHSA-N	242.323	-0.514	50	10	BBGE	
C[C@@H](Cc1ccncc1)N(C)C(=O)C(=O)NN	2024205438	ITMIBSWLYZOWRH-QMMMGPOBSA-N	236.275	-0.539	50	10	BBGE	
NNC(=O)c1cncc(CN2C[C@H]3C[C@H]2CO3)c1	2027482462	PDPKXLPZWLKKRU-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@]3(C)C[C@H]2CO3)n1	2052559750	OKCOQNKQRCLEME-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
CC[C@@H]1C[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2055735368	BPXWQBRQULUFJC-HTQZYQBOSA-N	246.079	-0.448	50	10	BBGE	
CCCOc1c(B(O)O)cnn1C(C)C	2059985583	XDELQTSZPKDFPR-UHFFFAOYSA-N	212.058	-0.067	50	10	BBGE	
CCOc1cc(F)c(C=O)cc1B(O)O	2060113505	MZTAWELOEVFAOQ-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CC(C)(C)n1ccnc1Cn1ccc(B(O)O)n1	2069380274	KZHUBHMDCRAPKC-UHFFFAOYSA-N	248.095	-0.437	50	10	BBGE	
O=C(CN1C[C@H]2COC[C@@H]21)NNc1ccccn1	2075111274	VXVCEFIADMAABS-UWVGGRQHSA-N	248.286	-0.145	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccn1C1CCC1	2077482605	HLGURAZVLCSHPQ-UHFFFAOYSA-N	246.075	-0.042	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc([N+](=O)[O-])cc1	2077486865	KZXBNCUXMZPKMT-UHFFFAOYSA-N	248.003	-0.660	50	10	BBGE	
O=S(=O)(NCC#CCCCl)C1COC1	2209504391	ASHKTEKZIQQPAC-UHFFFAOYSA-N	237.708	-0.063	50	10	BBGE	
COC[C@@H](S[C@H]1CCNC1)C(=O)NN	2210076558	DCDSIUVCIJGUFF-NKWVEPMBSA-N	219.310	-0.914	50	10	BBGE	
Cc1cnc(O[C@@H](C)CCN)cc1B(O)O	2212601952	WKUJWIWCBOCGHY-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
CC1(C)C[C@]1(C)Nc1ncc(B(O)O)cn1	2212602244	ASVKTIFMQRWNAZ-JTQLQIEISA-N	221.069	-0.243	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]2CF)c1F	2212604755	SEMWGYUEQZOWDB-ZCFIWIBFSA-N	228.007	-0.551	50	10	BBGE	
COCC[C@@H](C)Nc1cc(B(O)O)ccn1	2212610582	LFPYWJUJOFSOJK-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC2CC(F)(F)C2)c1	2212615125	KBIAJFIKMCPSMJ-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
COC[C@@H](Oc1cccnc1C#N)C(=O)NN	2214883157	RAOKMCKSOHSMEI-SECBINFHSA-N	236.231	-0.663	50	10	BBGE	
CN1CC2(CCN2C[C@H]2CC[C@H]2C(=O)NN)C1	2216595411	PQUXLSJPIOWVCD-NXEZZACHSA-N	238.335	-0.608	50	10	BBGE	
Cc1cnc(OC[C@@H]2CC[C@@H]2N)cc1B(O)O	2217168837	YQCNEWUDCZURHJ-WPRPVWTQSA-N	236.080	-0.814	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1c1ncccc1B(O)O	2217178132	RWYFRURROOALGS-DTWKUNHWSA-N	235.096	-0.923	50	10	BBGE	
NCC1CC(COc2ncccc2B(O)O)C1	2217184070	QFQPNZXGRKUUOZ-UHFFFAOYSA-N	236.080	-0.875	50	10	BBGE	
NC1(CNc2cc(B(O)O)ccn2)CCCC1	2217197429	MJSJBGZGOBKMQI-UHFFFAOYSA-N	235.096	-0.555	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)[C@H](C)CN1	2220063497	LWFPTFIJHDHOFV-GHMZBOCLSA-N	248.135	-0.451	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3[C@H](O)C[C@H]3C2)c1	2220065835	GIXMBHLHYMLQIU-CYZMBNFOSA-N	247.103	-0.821	50	10	BBGE	
CN(Cc1cccnn1)C[C@@H]1CC[C@@H]1C(=O)NN	2221573140	PPXGBOCIHNMWHH-ONGXEEELSA-N	249.318	-0.076	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCOC[C@H]21	2223639276	QKWRWHVKWXONOC-IVZWLZJFSA-N	248.091	-0.544	50	10	BBGE	
Cc1cnc(N2CC3CC2(CO)C3)cc1B(O)O	2223641150	QKXNZWGNSMWPPE-UHFFFAOYSA-N	248.091	-0.969	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@H](N)C1	2223641550	UTIOSMXGOFYGMU-QWRGUYRKSA-N	249.123	-0.533	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H]2N(C)C)cc1B(O)O	2223645254	USHDQHXVYFATJH-WDEREUQCSA-N	249.123	-0.426	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@@]21COc1ncccc1B(O)O	2223651043	UQTMOHGEYDYBNU-MKPLZMMCSA-N	248.091	-0.732	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCNCC1	2223674605	MGFZDNFJQAVNTD-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
COC(C)(C)CSc1ncc(B(O)O)cn1	2242969608	ZRMZFLQDHCESLV-UHFFFAOYSA-N	242.109	-0.327	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1sccc1B(O)O	2243356466	IFIWEBPGGWKYIZ-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
COC[C@@H](C)NC(=O)c1csc(B(O)O)c1	2243361987	KGNANTNBGBOJBR-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)sn1	2243378243	PHHHDJSSVQHDDE-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243381190	DFLSZXMUYCOWTM-XHNCKOQMSA-N	226.085	-0.811	50	10	BBGE	
C[C@@H]1CC[C@H](N)CN1C(=O)[C@H]1C[C@H]1B(O)O	2243383182	VHIPBXQCHXTNNY-RYPBNFRJSA-N	226.085	-0.813	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1(B(O)O)CC1	2243397930	LLVYKYHPFLPUEX-XLPZGREQSA-N	225.053	-0.713	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(F)cc1F	2243400053	VDARJXBZRVBXHN-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1csnc1B(O)O	2243413050	YNDPHGMLWGQCMT-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)[C@H]1C[C@@H]1B(O)O	2243427039	PHLAFVDRGYAXRS-KZVJFYERSA-N	227.069	-0.731	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1N	2243427275	SNQAJSKUHIPNMK-XSPKLOCKSA-N	226.085	-0.955	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)NCCC#CB(O)O	2244551558	HSEISGAKNFAKPL-NXEZZACHSA-N	223.081	-0.200	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)C#CB(O)O)C(F)F	2244614398	LLIGRYGEZGYAJF-POYBYMJQSA-N	233.023	-0.202	50	10	BBGE	
CC1(Oc2ncc(B(O)O)cc2F)COC1	2245008704	UOVLWZCQBQKIRY-UHFFFAOYSA-N	227.000	-0.932	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2COC(=O)C2)[nH]1	2246261259	HIKWYMQPDLNIRW-BYPYZUCNSA-N	243.654	-0.828	50	10	BBGE	
CC1CC(C)(Cn2cccc(B(O)O)c2=O)C1	2246523651	QXZYVGZZPCQRLP-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1ccnc(B(O)O)c1	2246746109	ZLJPOLXIXPEYNT-ZETCQYMHSA-N	235.052	-0.613	50	10	BBGE	
CCO[C@H]1C[C@H](NC(=O)C#CB(O)O)C1(C)C	2247743356	CHVGZJFHJPFMJM-IUCAKERBSA-N	239.080	-0.678	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1	2247744150	OKEDUFIVVKJYLV-LMLFDSFASA-N	231.060	-0.718	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)c1ncon1	2247751252	VIDMQWHDUJVWFW-ZCFIWIBFSA-N	239.040	-0.704	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247751314	WDNDIBXGGUOULR-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)C1(B(O)O)CCC1	2247757129	VMMPLNVWNSTDHG-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2247790119	FQZFMUQQSJHSQF-IMOXPNBDSA-N	235.092	-0.038	50	10	BBGE	
Cc1cnc(C(=O)N2CC=CC2)c(B(O)O)c1	2247790695	IVHNSSGMRYFGPO-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CO)CCCC1	2247800326	NUFWYYKUSFYPNT-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]2[C@@H](C1)C2(F)F	2247852492	VKEHBXPWQSRYMX-WHUPJOBBSA-N	243.018	-0.591	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2247855274	PLNUARJOTRXIHX-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
C#CCN(CC=C)C(=O)c1sccc1B(O)O	2247867400	DODXJIAQOPZBBI-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
C=C(F)CNC(=O)c1cc(F)ccc1B(O)O	2247868899	ZFWLYXLVMZGGFG-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247869097	LXNHNIOHHCTVLB-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H](CF)NC(=O)c1c(F)cccc1B(O)O	2247875496	ZNCPOXXDFDPLNQ-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
Cn1cc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)cn1	2247888355	YUQQHZQVHVRXAZ-KYZUINATSA-N	237.068	-0.711	50	10	BBGE	
CN(C)CC(C)(C)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247895165	PIPRICWSSGQHGZ-IUCAKERBSA-N	242.128	-0.447	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]2C[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247897109	OAMPFCQIFNFHJD-WLRJLXCNSA-N	238.096	-0.894	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1O	2247897867	XLUNZANKZXHNMW-VGMNWLOBSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@@H]1COC2(CCC2)C1)[C@@H]1C[C@@H]1B(O)O	2247898164	AWHIIDIZPJNGGI-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)on1	2247898940	IUUYJMSSXNGBGN-DTWKUNHWSA-N	238.052	-0.196	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1nccnc1B(O)O	2248056171	PXEQHOWDZRGDQE-ZETCQYMHSA-N	237.068	-0.973	50	10	BBGE	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)C1(B(O)O)CC1	2248573200	APQFGGAJYFIXOH-BQBZGAKWSA-N	241.052	-0.685	50	10	BBGE	
CN(CCCCC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248584887	CRGKTWHGWRVQJQ-YUMQZZPRSA-N	243.068	-0.437	50	10	BBGE	
COC[C@@]1(C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2248711396	OGFJDKBYDVSUFZ-RSWAIMACSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](CF)N(C)Cc1nn(C)cc1C(=O)NN	2249276250	WAKQLRAYLLJKCT-SSDOTTSWSA-N	243.286	-0.187	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1cc(B(O)O)co1	2249415929	KPRAUKVVOGAGBB-SFYZADRCSA-N	241.027	-0.420	50	10	BBGE	
O=C(NCCCCCF)c1cc(B(O)O)co1	2249424061	NWCVOVAMLNJHGC-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
CCC1CC(NC(=O)c2cocc2B(O)O)C1	2249433131	HXGJZBFNCMULIS-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC2(COC2)C1	2249633645	AGHQWQNPRBMMML-DTWKUNHWSA-N	243.307	-0.755	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ccnnc1	2254025204	NTXFGWNTBPQKBG-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2255465154	GLPCWWUVGCMAJV-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C(=O)[C@@H]2CCC[C@H]21	2255466466	ZCKLXISVXONLGP-RNFRBKRXSA-N	249.031	-0.890	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(n2cccc2)CC1	2255466878	FYPPGUBGWUFYFX-UHFFFAOYSA-N	246.075	-0.333	50	10	BBGE	
Cn1ccnc1[C@H]1CCCN1C(=O)C#CB(O)O	2255469576	QXNVMCPMTNHUMB-SECBINFHSA-N	247.063	-0.901	50	10	BBGE	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C#CB(O)O	2255470232	ZYSUMDALKUZOFG-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)c[nH]1	2255471956	AUCRALGSHCPLRH-JZYVYDRUSA-N	248.091	-0.387	50	10	BBGE	
CCC1(N(C)C(=O)c2ncncc2B(O)O)CC1	2255495982	HVHICBGYFDWLJD-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H](C)CC#N	2255498184	OLBGQFQEWDNIFB-QMMMGPOBSA-N	249.079	-0.780	50	10	BBGE	
Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)nn1	2255562851	AFFHOUCSMJIKBW-UWVGGRQHSA-N	249.079	-0.394	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@H]2CC[C@@H]21	2255685501	BGAZYTXVHLRWSG-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3ccoc3B(O)O)[C@H]1C2	2255714075	LSQINROUQDUEPO-VDDIYKPWSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1ccoc1B(O)O	2255714535	RQSJGSBOOMYGSP-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1ncccn1	2255741752	ORBKCRGBEYEIFF-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(N[C@@H]1CCCn2ccnc21)[C@@H]1C[C@H]1B(O)O	2255765813	VEJXAFRHIOHIEJ-IWSPIJDZSA-N	249.079	-0.303	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CC[C@H]1C2	2298367539	LIHWFEQQCKRRPD-APPZFPTMSA-N	234.064	-0.681	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@H]1C1CC1	2298370066	NHLFYUUSZKMZPA-ZYUZMQFOSA-N	239.080	-0.779	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1CO)[C@@H]1C[C@H]1B(O)O	2298375045	WCSCOIWGWRFSEF-UTINFBMNSA-N	241.096	-0.626	50	10	BBGE	
CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375408	IRKHOXLPNLRCDC-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
N[C@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377217	IKHNRRJEFKUBMK-QEYWKRMJSA-N	240.112	-0.517	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC2CC1(CO)C2	2299755788	FODTYBKLMFDGMO-OWNCLDLKSA-N	239.319	-0.541	50	10	BBGE	
N#CC1(F)CN(Cc2cc(C(=O)NN)no2)C1	2301456962	AGMFBSSXUAZSDT-UHFFFAOYSA-N	239.210	-0.674	50	10	BBGE	
OB(O)[C@H]1CCN(CCOC[C@@H]2CCCO2)C1	2303122570	FDLAVAUUPBHLRW-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CC[C@H]1C1CC1	2303184417	ZIADFVMDQJEFOG-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2303419878	KREOMHRGLQBMCJ-FXPVBKGRSA-N	247.314	-0.203	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2313081335	ITRMZADUQNVWMB-HLTSFMKQSA-N	249.075	-0.122	50	10	BBGE	
Cc1ncn(-c2ccc(C=O)c(B(O)O)c2)c1C	2317311501	QHBUXPXLXIVAOM-UHFFFAOYSA-N	244.059	-0.019	50	10	BBGE	
NCC1CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2317349776	IVUYVMKLFJYZIJ-UHFFFAOYSA-N	248.091	-0.672	50	10	BBGE	
C=C1COC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349903	KRSHGFFVYRMRMZ-LBPRGKRZSA-N	247.059	-0.454	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2O[C@H]3CC[C@H]2C3)c1	2327591345	ICFAWUZAUQSCNB-LSJOCFKGSA-N	248.091	-0.259	50	10	BBGE	
CC(=O)O[C@H]1CC(=O)N2CC=C(C=O)[C@H]12	34287830	AFHHYXYMSTYZHM-WCBMZHEXSA-N	209.201	-0.342	50	10	BBGE	
C[C@@H](CNCCN1CCCCC1)C(=O)NN	58846200	OQYKWGMWPNIUBP-JTQLQIEISA-N	228.340	-0.312	50	10	BBGE	
O=CNNC(=O)c1cc(=O)[nH]c2ccccc12	82297488	KZAKLGOXVIJLJR-UHFFFAOYSA-N	231.211	-0.081	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CCO1	82467976	IYVMPBQXRSDADU-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
COCCN(CC(=O)NN)[C@@H](C)C1CC1	82470236	OZFLZAVUERAYTK-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(CC2CC2)CC1	82471204	ISXBCJZKGWVNIE-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CC(C)(NS(=O)(=O)CCl)C(N)=O	82512974	WXIHHKGUSSUDCT-UHFFFAOYSA-N	214.674	-0.634	50	10	BBGE	
C[C@@H](Cn1ccc(C(=O)N(C)C)n1)C(=O)NN	85196528	NSAJAQROQQHJOL-ZETCQYMHSA-N	239.279	-0.789	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)N[C@H](C)C(N)=O	86550188	PDMSIOFBSPWURT-NTSWFWBYSA-N	242.728	-0.346	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@H](N)C1	110591475	XRDNWHXVQQWAKB-VIFPVBQESA-N	238.291	-0.194	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C(=O)CCCl)C2)N1	167881294	UEJZTKMUXCGUHO-SECBINFHSA-N	245.666	-0.574	50	10	BBGE	
COC(=O)c1c(F)cc(F)cc1B(O)O	195787889	FAGRKGJWXBSHAF-UHFFFAOYSA-N	215.948	-0.569	50	10	BBGE	
COc1ccc(B(O)O)c(C=O)c1OC	195940857	PSBAYOFJQYEQGN-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
OB(O)c1ccc2nc(C(F)(F)F)nn2c1	206062066	BTCFCJCWNCQCJB-UHFFFAOYSA-N	230.942	-0.572	50	10	BBGE	
COC1=CC(C=O)=C[C@H](OC)[C@@]1(O)C(C)=O	215641327	JLESQKIMSKNNJM-ONGXEEELSA-N	226.228	-0.009	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](C)C(=O)NN)CC[C@@H]1C	230357260	SJKFQJTXJYPOLN-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H]1CN(C)CCCN1C(=O)NN	234047028	AJTCMKNSNZXLEF-QMMMGPOBSA-N	200.286	-0.014	50	10	BBGE	
CNC(=O)[C@@H](C)CN(C)CCCC(=O)NN	234358126	HYIHXBRLOYPQIY-QMMMGPOBSA-N	230.312	-0.930	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@](C)(O)C1	300032708	QRFMOBHZXMFTAI-NRPADANISA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)c1ccoc1CSCC(N)=O	300884539	ZZEKJTPWSQGVBQ-UHFFFAOYSA-N	229.261	-0.398	50	10	BBGE	
COC(=O)[C@H]1[C@@H]2[C@@H]3O[C@H]3[C@H]([C@@H]2O)[C@H]1Cl	306345986	PAMNUHRAKMHCDW-UMQKMOGYSA-N	218.636	-0.229	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CCC[C@H]1C	309113043	KIABTWMHLQVODJ-APPZFPTMSA-N	213.281	-0.068	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cc(C#N)cn1	379944531	IOIRGWVWCHZGAH-BQBZGAKWSA-N	207.237	-0.058	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCS[C@@H](C)CC1	380324167	IDWUSDZVYKSIHW-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
CC(C)[C@H]1CN(CC(=O)NN)CCCO1	382324277	CFMWABAFFCAZJM-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1nncn1C	383447852	IZWDUPSKHDMSJI-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CCCCCC(=O)NN	385012639	QDBYNQYCVCYZEG-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](N)CC(=O)NNC(=O)c1ccc[nH]1	390674098	WNXCLKRJFUGHEU-LURJTMIESA-N	210.237	-0.487	50	10	BBGE	
CC(C)(CCN1CCO[C@@H](CO)C1)C(=O)NN	395619917	UYSYCLSKAXHGNA-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
N#CCCc1cccc(/C=C\C(=O)O)c1B(O)O	396140900	KPODIWWHEKQBHX-SREVYHEPSA-N	245.043	-0.080	50	10	BBGE	
CO[C@]1(CO)CCN([C@@H](C(=O)NN)C(C)C)C1	402612378	PVDKHBPVOSSGPO-MWLCHTKSSA-N	245.323	-0.916	50	10	BBGE	
CCC[S@](=O)NCc1ccc(B(O)O)cc1	404959913	PBXFWSADJCDJPE-INIZCTEOSA-N	241.121	-0.470	50	10	BBGE	
C[C@H](CN(C)C[C@@]12COC[C@@H]1C2)C(=O)NN	689285152	CZONCRCKCSBSIB-YWVKMMECSA-N	227.308	-0.419	50	10	BBGE	
Cc1nn(C[C@@H](O)CCl)c(=O)n1C	691755120	YIKOJSBMRRPOSM-LURJTMIESA-N	205.645	-0.510	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](OC2CCC2)C1	691852804	UZVFNKJOURSMCM-SECBINFHSA-N	241.291	-0.464	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](OC)CC1	692058502	ARMLLOYMHXHECX-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)[C@@H](CO)C1	705326993	BKAHGPTXMIKUFU-KNVOCYPGSA-N	207.657	-0.716	50	10	BBGE	
COc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1B(O)O	706927282	GJEZLAUNXCUCQZ-PWSUYJOCSA-N	247.103	-0.031	50	10	BBGE	
CCC[C@@H]1CN([C@@H](C)C(=O)NN)CCO1	708942883	DFCYIQPXJLVXAO-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)O[C@@H](C)C1	709921246	XDBSZWKYOHYYIM-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COCCOC2CC2)O1	711943508	DZFQIHAKTSULIU-ZJUUUORDSA-N	244.291	-0.281	50	10	BBGE	
CC(C)CC(=O)NCc1ncc(B(O)O)s1	714570529	YUWFERFJIFQMGZ-UHFFFAOYSA-N	242.109	-0.515	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@@H](C1=O)C2(F)F)C(=O)NN	715553071	XBDUAGPHJVVIIY-WDSKDSINSA-N	247.245	-0.274	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H](C)Cl)C[C@@H]1O	725558933	WDRLIINWLUWPMO-VQVTYTSYSA-N	207.657	-0.168	50	10	BBGE	
O=C(Cn1cccn1)NNC(=O)c1ccoc1	747186888	QROYJXKYWGXFDH-UHFFFAOYSA-N	234.215	-0.063	50	10	BBGE	
O=C(NNc1cccnn1)N[C@@H]1[C@H]2COC[C@H]21	793445422	BISCLGPPOHRZGJ-QMSLJYSESA-N	235.247	-0.253	50	10	BBGE	
COC(=O)[C@@H]1CCCC(=NNC(=O)CO)C1	794923211	XMHAUSNQALEFEJ-SSDOTTSWSA-N	228.248	-0.186	50	10	BBGE	
NC(=O)CC(=O)NNc1cccc(F)n1	804771269	PGTKPFKXXAXOPK-UHFFFAOYSA-N	212.184	-0.461	50	10	BBGE	
CC(C)(CN)C(=O)N1CCC(O)(C#N)CC1	821980344	CVKZZVSQZKKMRI-UHFFFAOYSA-N	225.292	-0.152	50	10	BBGE	
Cc1cnn(CC(=O)NNc2nnc(C)n2C)c1	856050351	MSMQNGNRWWOODP-UHFFFAOYSA-N	249.278	-0.228	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1cccn(C)c1=O	910165766	MXLUFTBKGUCGHD-MRVPVSSYSA-N	239.275	-0.657	50	10	BBGE	
CN1CCN(Cc2cscc2B(O)O)CC1	1231946642	VHMGLYJPPBFWBW-UHFFFAOYSA-N	240.137	-0.825	50	10	BBGE	
CCN(CCO)NC(=O)CC1(O)CCOCC1	1262180876	RLMVPDYGGIYRFN-UHFFFAOYSA-N	246.307	-0.737	50	10	BBGE	
COc1cccc(C(=O)NNc2nc[nH]n2)n1	1306853231	PBQJERXWNODWHN-UHFFFAOYSA-N	234.219	-0.035	50	10	BBGE	
C=CCN(C)C(=O)NNC(=O)c1cn(C)nn1	1330574709	AAMFKFROHZRIOV-UHFFFAOYSA-N	238.251	-0.713	50	10	BBGE	
CC(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1	1539518095	LOKMPVAGPYSAEB-MRVPVSSYSA-N	248.304	-0.631	50	10	BBGE	
CNC(=O)NNC(=O)CCc1cncnc1	1543665009	QTZZTCQAHTVZKF-UHFFFAOYSA-N	223.236	-0.631	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H]1CCNC(=O)CC1	1637412753	XMSCCMPCQSYOQB-RKDXNWHRSA-N	243.307	-0.754	50	10	BBGE	
O=C(NNC(=O)c1ncon1)C1=CCCCO1	1645910435	KHIVXNNQQLYAOG-UHFFFAOYSA-N	238.203	-0.475	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnc[nH]2)nc1O	1650669838	FVTMGRBTETXKHG-UHFFFAOYSA-N	235.207	-0.634	50	10	BBGE	
Nc1c[nH][nH]c1=NC(=O)[C@@H]1C[C@@H]1Cl	1883638170	DAYDKALNKTTWLY-DMTCNVIQSA-N	200.629	-0.020	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC1(CO)CC1	1883647774	QSSIZMPVZBAOON-OWOJBTEDSA-N	203.625	-0.051	50	10	BBGE	
C[C@H](CO[C@@H]1CCCOC1)C(=O)NN	1888721648	QTQLVVARLGUEHF-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
NCCOCCNC(=O)C=CC(=O)Cl	1893417992	VEZPUILMLPLJMA-UHFFFAOYSA-N	220.656	-0.601	50	10	BBGE	
COCC1(O)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1893447043	UUBJNXIOQYGLAN-NKWVEPMBSA-N	219.668	-0.167	50	10	BBGE	
COCC(COC)CO[C@@H](C)CC(=O)NN	1900893361	RWMYZHNLKAGXRR-QMMMGPOBSA-N	234.296	-0.320	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1n1cccc(B(O)O)c1=O	1901178089	JMSBGTRDDWIZMB-MBTKJCJQSA-N	221.065	-0.255	50	10	BBGE	
CNC1(C(=O)NN(C)S(=O)(=O)C(C)C)CC1	1901339826	UMTCPQYEBPMHHE-UHFFFAOYSA-N	249.336	-0.560	50	10	BBGE	
CN(NC(=O)[C@@H](CN)CC1CC1)S(C)(=O)=O	1901375680	PFYZTKYTJUMLMC-MRVPVSSYSA-N	249.336	-0.716	50	10	BBGE	
C=C1CC(CN)(C(=O)NN(C)S(C)(=O)=O)C1	1901377038	JEPUPNNYMHEHDR-UHFFFAOYSA-N	247.320	-0.796	50	10	BBGE	
O=C(CCl)CS(=O)(=O)N1CCOCC1	1902497944	SKMGGNKAVWKIFY-UHFFFAOYSA-N	241.696	-0.544	50	10	BBGE	
OB(O)c1csc(CN2O[C@H]3C=C[C@H]2C3)n1	1902637031	GHSRPBXQTIHESI-BQBZGAKWSA-N	238.077	-0.733	50	10	BBGE	
C=CC[C@H]1COC[C@@H]1N1CC(=O)OC(=O)C1	1903097879	YFLKSVMFLJZQEM-IUCAKERBSA-N	225.244	-0.037	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)[C@@H](F)C2)c1B(O)O	1907076513	GCYYMCQHTRYBAJ-SVRRBLITSA-N	239.059	-0.741	50	10	BBGE	
C[C@H](N)[C@@H]1C[C@H]1C(=O)N1CCC(O)(C#N)CC1	1907391795	XWKQCSJNNHTDQU-LPEHRKFASA-N	237.303	-0.153	50	10	BBGE	
CC[C@@H](N=[S@@](C)(=O)CC)C(=O)NN	1913888684	QYZURCTVYDKNNA-UANNBLPKSA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCCNCCN	1923474324	DKCBPGKCHHHXAY-HTQZYQBOSA-N	234.369	-0.718	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC(C)C)OC	1928666037	SSZIKWMHURLRJH-MRVPVSSYSA-N	219.285	-0.489	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)CCCCl)C1	1928757950	KPYNTQVCKADZMM-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C(N)=O)C1CC1	1932385675	WHJARFFNDYZBLX-NJGYIYPDSA-N	204.657	-0.006	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)CC[C@H]1O	1935932281	QBGOXOIIWZBQKY-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
CO[C@H]1CCCCC[C@H]1NC(=O)C(=O)NN	1935959864	KXWSFKXBFQIDIM-SFYZADRCSA-N	229.280	-0.560	50	10	BBGE	
NNC(=O)CCCN1CCOC[C@H]1C1CC1	1936110396	FJEWSRJLKXSXIF-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)C[C@H]1CO	1938236645	LUELJLOMEFGAKB-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1938502753	ZQBBKSMHBOOZMY-UHNVWZDZSA-N	239.197	-0.367	50	10	BBGE	
COC1CC2(CC(NC(=O)C(=O)NN)C2)C1	1940024796	FUNWWIFIDYAAOC-UHFFFAOYSA-N	227.264	-0.950	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@@](C)(C(=O)O)C1	1943974744	UFXXPVJBSQZDEO-GMSGAONNSA-N	245.279	-0.216	50	10	BBGE	
CCC[C@]1(O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1945566491	YLXXNXPSSFGVHC-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
COc1ncc([N+](=O)[O-])cc1[C@@H](N)[C@H](O)C#N	1952956689	NXUARNCGUBNOJY-HTQZYQBOSA-N	238.203	-0.117	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NCC(Cl)Cl	1953766010	DSECDQVZGFFKHA-WVZVXSGGSA-N	215.080	-0.386	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC(Cl)C1	1954057757	RIKMVKOVEGOUQT-UHFFFAOYSA-N	223.681	-0.519	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@@H]2COC[C@@H]21	1954369843	ZKLGLHAXEBKACL-VQVTYTSYSA-N	205.641	-0.557	50	10	BBGE	
CCCN(CCS(C)(=O)=O)C(=O)NN	1956763196	OWNPRPSELLXGSY-UHFFFAOYSA-N	223.298	-0.674	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@H](O)C1	1960249981	XSDKBCFDZXHVRP-DTWKUNHWSA-N	213.281	-0.766	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2OCC[C@@H]2C1	1981243307	UJNIZHUSWVPRJS-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[C@H](Oc2ccc(B(O)O)cn2)CO1	1981430613	QDFMOXCVEKSWOY-CBAPKCEASA-N	223.037	-0.682	50	10	BBGE	
Cc1ccnc(N(C)[C@@H]2C[C@@H]2C)c1B(O)O	1981529408	CYHUQKCQLPKJHK-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)NNCCO)C[C@H]1OC	1982348984	BEOLEBFUFVRBQT-PSVAKVPMSA-N	232.280	-0.961	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1-n1ccnc1	1982397653	IXZAOLRIHHSANQ-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1F	1982679540	SEODVASOGSOCML-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2(C)CC2)CC1	1984368326	YNUOOPOQTMBHJO-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]2CF)c(F)c1	1986083670	AZCWVIYKSDWPHS-SSDOTTSWSA-N	228.007	-0.551	50	10	BBGE	
COC[C@H](OC1CC(N(C)C)C1)C(=O)NN	1986221026	IERLAIBKAVCRCF-HACHORDNSA-N	231.296	-0.900	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CCCCC(=O)NN	1987557145	VTSGAUMITQFFMV-AOOOYVTPSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1	1988587347	GKXZNXXSWCTHIP-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1CC(CO)C1	1990039682	UDMSMOCOTNGLKO-AFWXGSBKSA-N	229.324	-0.296	50	10	BBGE	
CN(CC(=O)NN)C[C@]12C[C@](C)(CCO1)C2	1990166613	FLKUYUQUXJUQMT-PHIMTYICSA-N	227.308	-0.133	50	10	BBGE	
O=C(CC[C@@H]1CCCO1)NCC=CB(O)O	1991335904	HTONMPJURFTRTQ-VIFPVBQESA-N	227.069	-0.370	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@H]1CCCOC1	1991761260	MWBDYKPSDYOJCQ-QMMMGPOBSA-N	229.280	-0.606	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]1c1ncon1	1997763854	BRDAFQNQPDHRPL-RNJXMRFFSA-N	239.279	-0.169	50	10	BBGE	
CC[C@@H](O)CN(CC(=O)NNC(C)=O)C1CC1	1999959835	ZDXAYYYFGCAQSN-SNVBAGLBSA-N	243.307	-0.611	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCCC12COC2	2001490598	NWDYGAVALXKENS-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
CCCN1CCN(C[C@@H](C)C(=O)NN)C(=O)C1	2004289863	VIKWNQBZJRWWBV-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
C[C@@]1(C#N)CCCN(CCOCC(=O)NN)C1	2004358759	MOXSYDIMOFBHJA-NSHDSACASA-N	240.307	-0.381	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN([C@H]2CCCOC2)C1	2005215315	DJBWBDOEHLOVFV-ZJUUUORDSA-N	242.323	-0.197	50	10	BBGE	
CN(C)CCCCN(C)C[C@H]1C[C@H]1C(=O)NN	2008548889	UOJPKUYPTVSDSK-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
CN(CC(=O)NN)Cc1cccn2nccc12	2013313679	GEZOWPAZEKFDER-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H]1CCC(=O)N(C)C1	2014819756	BCINGCIYQLAHIX-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CN1CC[C@H](N(C)CCCC(=O)NN)CC1=O	2014830662	CDMFQESVMLQPPH-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CC1(CF)CN(c2ncc(F)cc2B(O)O)C1	2014929789	NLPMBVSWIDWQDT-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
C=C(CN1CC[C@H]2[C@H](CCCN2C)C1)B(O)O	2021159178	OQYNYFBGDSXLBB-NEPJUHHUSA-N	238.140	-0.029	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccccc1B(O)O	2022196231	JHFPLSKNACHIRT-SECBINFHSA-N	229.044	-0.786	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2025523111	VJIAAMGXZNPFEM-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	2026297966	SNZARJNGAFHWRC-ZJUUUORDSA-N	243.307	-0.490	50	10	BBGE	
Cc1ocnc1C(=O)Nc1ncccc1B(O)O	2042249524	OBSIKIKBMBHREG-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1nc(N2CCC[C@H]3CC[C@@H]32)ncc1B(O)O	2052551700	ITCNXAMHHAAFMG-ONGXEEELSA-N	247.107	-0.156	50	10	BBGE	
O=C(NCCc1ccc(B(O)O)cc1)NC1CC1	2058045478	DHXRPOBVLXGCEW-UHFFFAOYSA-N	248.091	-0.630	50	10	BBGE	
COc1ccc(B(O)O)c(C#N)c1OC(F)F	2060303857	ZLPVPXRCPPKTPO-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1COc2ccccc21	2076078789	KVRZJGAXNDYFAS-SNVBAGLBSA-N	247.059	-0.153	50	10	BBGE	
OCCSCc1cccc(B(O)O)c1	2209699639	FIJVZBNBHIOWGR-UHFFFAOYSA-N	212.079	-0.408	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1OC[C@H]2CCCC[C@H]21	2210293469	AGKDSFHCKSZWGM-IWSPIJDZSA-N	227.069	-0.680	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC[C@@H]1CO	2210399595	YIFUVXGPNWCGHP-FNCVBFRFSA-N	225.244	-0.326	50	10	BBGE	
CN(CCCC(=O)NN)[C@H](CO)CC1CC1	2210716568	KLXIAKBEOJCHGL-JTQLQIEISA-N	229.324	-0.151	50	10	BBGE	
CN(CC[S@](C)=O)C[C@H]1CC[C@@H]1C(=O)NN	2211839139	QCDKBAVDTIRDGJ-GLSBUQGYSA-N	247.364	-0.687	50	10	BBGE	
OB(O)c1cccnc1N1CC=C(F)CC1	2212603773	RFRBYNAAMUPFQX-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
C[C@@H]1CCCN1c1nccc(B(O)O)c1F	2212603822	JEWBTARKPUWPMZ-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
NCC1(Nc2ccc(B(O)O)cn2)CCC1	2212604215	UPIHIPXZNMIWHQ-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
CC[C@@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2212605302	BJOHYDTUWSORED-MRVPVSSYSA-N	222.097	-0.050	50	10	BBGE	
CCC[C@H](CN)Oc1ncccc1B(O)O	2212605701	IZGGHUKGPTTWRU-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNc1ncc(B(O)O)cn1	2212612965	QKRFYVKTDJXAAC-IMTBSYHQSA-N	225.032	-0.684	50	10	BBGE	
COc1cnn(-c2cc(B(O)O)c(C)cn2)c1	2217164700	UZDUPAMBLBQNDP-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNc1cc(B(O)O)ccn1	2217197771	QOVPMVNUEMWJEZ-RKDXNWHRSA-N	235.096	-0.971	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1(F)CCCC1	2217409731	WATMTIPUDLDALZ-UHFFFAOYSA-N	240.043	-0.795	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC(n2cccn2)C1	2221574512	XKYATMLWYXBLHU-ONGXEEELSA-N	249.318	-0.244	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCNC12CCC2	2223644993	QLIBYJSWLNAIQA-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CC[C@H](C2)O3)cc1B(O)O	2223649559	AUCJSQFKAZEEJV-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
Cc1cnc(N(C)Cc2ncno2)cc1B(O)O	2223652352	IQMHTWXBSITECA-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CN(C)CC1(CNc2cc(B(O)O)ccn2)CC1	2223666901	MAHHMJDTOWBCLS-UHFFFAOYSA-N	249.123	-0.485	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(c2ncccc2B(O)O)C1	2223670097	SNXBRAMKFFKFDY-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
CO[C@@]1(C)CCCN(C(=O)C#CB(O)O)C1	2243361801	HKMGZEBRYVWJNH-JTQLQIEISA-N	225.053	-0.971	50	10	BBGE	
CCSCCNC(=O)c1cc(B(O)O)c[nH]1	2243362413	QOYWEIOMJWOXIE-UHFFFAOYSA-N	242.109	-0.823	50	10	BBGE	
Cc1ccc(C(=O)N2CCC2)c(B(O)O)c1	2243399131	XDTNDNBLIJHTIP-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
CC[C@@H](C[C@@H](C)O)NC(=O)C1(B(O)O)CC1	2243409091	AVAIWGMBCPPGMJ-SFYZADRCSA-N	229.085	-0.341	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1sncc1B(O)O	2243415497	WHQUDOFFGITTKP-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(O)C1CCOCC1	2243427532	WYGLZKGSVFEVSI-SFYZADRCSA-N	229.041	-0.754	50	10	BBGE	
O=C(C#CB(O)O)N[C@]12CCCC[C@H]1CC2	2245186361	HFTKDNQZFULAPX-ONGXEEELSA-N	221.065	-0.159	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)C[C@H]2CCCC[C@H]21	2246629612	IAHBKPGKAKVRSC-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
CC1(C)CC[C@@H]1COc1ncncc1B(O)O	2247341453	PNMSQWARXAKGPA-MRVPVSSYSA-N	236.080	-0.029	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CCC1	2247732472	GCNKMNJXANPILK-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
CC(C)(NC(=O)c1coc(B(O)O)c1)C1CC1	2247735212	XJWIMVGRDCFIGS-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(C#CB(O)O)N1CCOC2(CCCC2)C1	2247746744	CWSKLIXPXCSXHT-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1B(O)O	2247747740	RTLLXAONESWKBS-RNFRBKRXSA-N	241.027	-0.468	50	10	BBGE	
CCCN(O)C(=O)c1c(F)cccc1B(O)O	2247752939	YKSISABQUIXXQM-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CNC[C@H]21)C1(B(O)O)CCC1	2247753246	DHANYGYHAHJLSG-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCO[C@@H]21)C1(B(O)O)CCC1	2247753267	DTALACUEDHQYEO-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247755204	HUEQYBUXKZHYRH-SFYZADRCSA-N	241.096	-0.077	50	10	BBGE	
N#CCCNC(=O)c1ccc(B(O)O)c(F)c1	2247760360	HBVXGHCLYASNFY-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1n[nH]cc1B(O)O	2247784263	RVCAYPQTJRWGHX-UHFFFAOYSA-N	241.031	-0.917	50	10	BBGE	
CC[C@@H](C)[C@H](O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788020	YBYMLPLBSQGTCY-DOLQZWNJSA-N	243.112	-0.237	50	10	BBGE	
C#C[C@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247799605	FXAYTHORZWWZAG-GUBZILKMSA-N	237.064	-0.900	50	10	BBGE	
C#CCC[C@@H](O)CNC(=O)C1CC(B(O)O)C1	2247800781	SRWWBPPGRZYEQN-UDNWOFFPSA-N	239.080	-0.870	50	10	BBGE	
O=C(NCCN1CCCCC1)[C@@H]1C[C@@H]1B(O)O	2247808391	USYFFPIFPYWLJZ-ZJUUUORDSA-N	240.112	-0.549	50	10	BBGE	
CC[C@H](COC)NC(=O)c1ccoc1B(O)O	2247846994	PVQWJAZCHWPFGC-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CN(C[C@]1(C)CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247860041	QYOSFEHGGBUUOK-YWVKMMECSA-N	241.096	-0.123	50	10	BBGE	
O=C(N1CCCC[C@@H](O)C1)C1(B(O)O)CCC1	2247878395	JMTBAIDGYDGEMJ-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
CCCN1CC(NC(=O)C2(B(O)O)CCC2)C1	2247879965	WZIWCNSVIADAIW-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CCCOC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247900105	TUTQORNMZCKWTJ-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC2(CC=CCO2)C1	2247900773	ZMFRQUJRCAOQBC-DTWKUNHWSA-N	237.064	-0.593	50	10	BBGE	
O=C(O)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248585058	FXABQQZTFGWYDL-BIIVOSGPSA-N	241.052	-0.828	50	10	BBGE	
O=C(c1cnc(O)[nH]1)N1CCC(B(O)O)CC1	2249348794	YBBXARZGBVMDIO-UHFFFAOYSA-N	239.040	-0.806	50	10	BBGE	
CN(CC(C)(C)F)C(=O)c1cocc1B(O)O	2249415651	HGWQYKZVOJMGJN-UHFFFAOYSA-N	243.043	-0.221	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cccc(F)c1B(O)O	2255500454	JRKJCOHTEFPZCG-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1c(C)cccc1B(O)O	2255509031	GNPLZIPSRSLAMI-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2cc(O)ccc2C1	2255671733	WFSHFNDVPKGXOZ-UHFFFAOYSA-N	245.043	-0.708	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1cncc(B(O)O)c1	2255710402	KEYFCVSNTLICHK-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CC(C)C1	2255742179	BGAJPLUVUZHEDK-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N(CC1CC1)C1CC1	2258131650	XHEDGHGIHAYLIH-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1CN	2298368901	BJIAPBASIRAKJI-JXUBOQSCSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375491	MBCMVRCVSXBZLK-HXFLIBJXSA-N	241.096	-0.628	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376466	XWQQCPZZIUJVGG-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
COC[C@@]1(C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298468120	SQUOAARIZDIAJF-QCBRBAQYSA-N	241.096	-0.362	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@H]1C[C@@H]2O	2300194848	TWKZWTSQZADKBI-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)[C@@H](CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2303380577	QCFZSPHPBZKNRC-XHNCKOQMSA-N	243.112	-0.237	50	10	BBGE	
NC[C@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303848100	UCMFMCLRNWRTGI-HZGVNTEJSA-N	239.059	-0.950	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@@H](N)C1	2317150551	GSCCVHUWZCBACC-MNOVXSKESA-N	246.075	-0.503	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cc2C#N)CO1	2317151079	MVANNTLMCDZEOM-KWQFWETISA-N	246.075	-0.173	50	10	BBGE	
NC[C@H]1CC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2317311723	UNCMGOFKURGBJA-PELKAZGASA-N	249.075	-0.705	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2318348260	QWFQKMDOHMTNKK-LSJOCFKGSA-N	248.091	-0.625	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ncccc1B(O)O	2318350212	JRPCHLQJAVPZPL-ATZCPNFKSA-N	248.091	-0.625	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc2c(cc1=O)CCC2	2319840246	UMFQXXCEYCUGAM-WDEREUQCSA-N	247.298	-0.037	50	10	BBGE	
COC(=O)[C@H](CO)NC(=O)[C@H](C)CCl	54712379	OPXQNMICZMOPGM-RITPCOANSA-N	223.656	-0.489	50	10	BBGE	
CCN(CCn1cc(C(=O)NN)nn1)C1CC1	104116726	HDJOTKRHZZEZAO-UHFFFAOYSA-N	238.295	-0.634	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@H](O)C2)c1	110580444	XNKOIQQRXPQNLL-NSHDSACASA-N	235.287	-0.143	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCOC[C@H]1C(N)=O	129324107	FZIUPXBZBYWIPW-RQJHMYQMSA-N	234.683	-0.426	50	10	BBGE	
O=C(NCCOCCCl)[C@@H]1COCCO1	137017365	KATWMUBGKMXQRB-QMMMGPOBSA-N	237.683	-0.227	50	10	BBGE	
O=C1CN(C(=O)CCBr)CC(=O)N1	168483477	ZSAQKLNIUOVVDE-UHFFFAOYSA-N	249.064	-0.744	50	10	BBGE	
COC[C@@H](C)Oc1ccccc1B(O)O	203562470	ADACZBXNPCMVEN-MRVPVSSYSA-N	210.038	-0.220	50	10	BBGE	
CCc1cc2c(cc1B(O)O)NCCO2	204517845	WZDDCLBBHOCFMT-UHFFFAOYSA-N	207.038	-0.267	50	10	BBGE	
COCCN/C=C(/C#N)C(=O)NCCOC	216542704	FGGPJYZDCXWVBG-HJWRWDBZSA-N	227.264	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](N(C)C)C1	222179399	XEXSGAVUJJZTAP-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
COCCS[C@@H](COC)C(=O)NN	232421361	ZGFLKJUIXGLHBQ-LURJTMIESA-N	208.283	-0.629	50	10	BBGE	
O=C(O)c1ccc2oc(B(O)O)cc2c1	238642587	HKDGMFRTTWKZTG-UHFFFAOYSA-N	205.962	-0.189	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN2CCC[C@H]2C1	251257345	VNNFEKPIEORXTC-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H]1COCCN1[C@H](C)CC(=O)NN	251841936	QWXQHZPTHDYPFR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C[C@H](C)C(=O)NN	304620801	XMMVRFAMYZLTQQ-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)[C@@H]1COCCO1	306441374	ORGLMAWZNIQNLP-RNJXMRFFSA-N	235.667	-0.476	50	10	BBGE	
NC1(C(=O)NNc2ncc(F)cn2)CC1	309521303	BSCNKPMWQPHAFS-UHFFFAOYSA-N	211.200	-0.450	50	10	BBGE	
O=[IH2]CC(=O)O	334138717	XWWNTSXORIDTHV-UHFFFAOYSA-N	203.963	-0.148	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@@H]1C	381934301	TXVUQZXCSFDICB-IVZWLZJFSA-N	228.340	-0.221	50	10	BBGE	
CC1(O)CN([C@H](C(=O)NN)c2ccccc2)C1	384068046	SJDKDUCTWSXALE-JTQLQIEISA-N	235.287	-0.216	50	10	BBGE	
COc1cc(B(O)O)c(OC)c2c1OCO2	390079264	AJKYPGHYZTYIGW-UHFFFAOYSA-N	225.993	-0.888	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC(O)(C(C)C)C1	394911394	OLUYIHGGPWWKQL-SECBINFHSA-N	229.324	-0.296	50	10	BBGE	
CN(CCO)CCC(C)(C)C(=O)NN	395616094	PEFOQBLDWYITBG-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC(O)CC1	395826658	XQPRPSBNUHSBEM-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
COc1cc(CCC(=O)O)cc(B(O)O)c1	396033187	PMKXUJMWHLNKEQ-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
CC(=O)[C@H](Cl)c1c(CO)cccc1B(O)O	396063869	XKNTTYGOQNFAMT-JTQLQIEISA-N	242.467	-0.272	50	10	BBGE	
CC(=O)Cc1ccc(CC(=O)O)c(B(O)O)c1	396139359	RZYWNETXVUDMAC-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@@H]1CCCO1	404953907	UYJXISGWFJHONP-NSHDSACASA-N	249.075	-0.838	50	10	BBGE	
CSCC(=O)Nc1ccc(B(O)O)c(C)c1	404973243	TVVVCGOZDDVHIY-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1CCOC1	404995359	HCXRIXPADOINHA-SNVBAGLBSA-N	249.075	-0.981	50	10	BBGE	
O=C(CCOCC1CC1)N1CC[C@@H](B(O)O)C1	585069277	KMIVECRPURVJLR-SNVBAGLBSA-N	241.096	-0.122	50	10	BBGE	
CCN(CCS(C)(=O)=O)C[C@H](O)CCl	688531668	NNLVMQIGLBQKEK-MRVPVSSYSA-N	243.756	-0.047	50	10	BBGE	
CCN1CC[C@H](N(C)[C@@H](C)CC(=O)NN)C1	689049213	SYGRFMQBQZPTPK-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnc(C)n1C	689550561	AQTFHJYBKXKZSX-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
CO[C@H]1CCC[C@@H]1n1nc(C)c(B(O)O)c1C	694306889	DUTRJUZSQHIUBY-UWVGGRQHSA-N	238.096	-0.080	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cn2)cc1	694485847	FDVORROPPKOOMJ-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@](C)(C(F)F)C1	698933657	WPFJWECLBOSMKI-RCOVLWMOSA-N	237.250	-0.279	50	10	BBGE	
CC(F)(F)C1(C(=O)NCB(O)O)CC1	701933424	YTNNHFAMRLXTCD-UHFFFAOYSA-N	206.985	-0.450	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@H]1C[C@@H](C(N)=O)C1	703524476	ILYNMRPTLMPQCU-OLQVQODUSA-N	247.682	-0.343	50	10	BBGE	
CCn1nnnc1SCCCC(=O)NN	706553756	RKPJFBNPLYJRPX-UHFFFAOYSA-N	230.297	-0.445	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@@H]3C[C@H]2CN3)CC1	712205337	IGLFGOOOAMNWJW-LPEHRKFASA-N	235.287	-0.529	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(B(O)O)cc1	713938737	LMXSSCYYCDAPPD-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
O=C1CC(=O)NC(SC[C@H](O)CCl)=N1	716573934	FYWXWCNBDDDFBL-SCSAIBSYSA-N	236.680	-0.278	50	10	BBGE	
CCC(Cn1cncn1)=NNC(=O)C(C)(C)O	794535446	OUPGZYLPGJHORN-UHFFFAOYSA-N	239.279	-0.069	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNc1cnnn1C	1351215563	JIOXJRFYDFUTII-SFYZADRCSA-N	239.279	-0.069	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CC1COC1	1468765504	WBWJLYTYDQBANV-ZETCQYMHSA-N	202.254	-0.633	50	10	BBGE	
CNC(=O)NNC(=O)C[C@@H](C)c1cnn(C)c1	1543663287	DSSKZBDIESYFLB-SSDOTTSWSA-N	239.279	-0.126	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C\[C@H]1CCOC1	1597672215	QHLGAWPQSVXYLD-VEMNSZJBSA-N	227.264	-0.071	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)c1cc(C)[nH]n1	1598278453	NTMRAWISFRKOEN-UHFFFAOYSA-N	240.219	-0.958	50	10	BBGE	
C#C[C@@H](CBr)NS(C)(=O)=O	1880010886	RUGHZHPPIMFFBV-YFKPBYRVSA-N	226.095	-0.068	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CCO	1889185320	KSQLHESGQVCWEW-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
COCCN=C(NN)NC[C@H]1C[C@@H]1Cl	1893089500	USNYCXLOASXDME-RQJHMYQMSA-N	220.704	-0.331	50	10	BBGE	
O=C(COC1CNC1)NC[C@H]1C[C@H]1Cl	1893097951	GDMBTQANWKDUIP-HTRCEHHLSA-N	218.684	-0.282	50	10	BBGE	
COCC1(NC(=O)[C@@H]2C[C@H]2Cl)CNC1	1893469495	JUAXIRQDIJXCAJ-RNFRBKRXSA-N	218.684	-0.282	50	10	BBGE	
CN(CCC(N)=O)C(=O)/C=C/C(=O)Cl	1893505545	WSNIIXWBIFNYNE-NSCUHMNNSA-N	218.640	-0.358	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ccncc1B(O)O)C2	1895125911	LRTZBPPXRCEQCN-GZMMTYOYSA-N	218.065	-0.392	50	10	BBGE	
C=C(CN(CC)[C@H](C)COC)B(O)O	1895149164	OFXYHNYEEPAIHN-SECBINFHSA-N	201.075	-0.089	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1COC	1896480611	GAJRXNPHSHVYNJ-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC(F)C2)O1	1896930628	WKYWBSDDBZSGCF-BDAKNGLRSA-N	231.271	-0.432	50	10	BBGE	
C[C@@H](O)CCCN(C)CC(F)(F)C(=O)NN	1899922534	HOZONOCVBYSDED-SSDOTTSWSA-N	239.266	-0.296	50	10	BBGE	
CC[C@@](C)(C(=O)NCC#CB(O)O)C(F)F	1900063736	OEMOMJUHYDWYLY-SECBINFHSA-N	233.023	-0.201	50	10	BBGE	
CC(C)C(C)(C)Oc1ncc(B(O)O)cn1	1900596658	LTBZSLWZNHRUOW-UHFFFAOYSA-N	224.069	-0.030	50	10	BBGE	
CCS(=O)(=O)CCCN1CC[C@@H](B(O)O)C1	1902541110	LVJIEYXBFRQXEB-SECBINFHSA-N	249.141	-0.640	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1[C@@H]2NCCO[C@H]21	1909272012	FWAUHRQZMVKOSZ-QAWYCMSJSA-N	230.695	-0.141	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC)[C@@H]1C	1914344358	UMXXJKQYBAMIEO-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H](C)CCO	1917042754	HPIYPJGPQUZZFU-HRDYMLBCSA-N	217.313	-0.296	50	10	BBGE	
Nc1cnc(C(=O)NNC(=O)C(F)(F)F)cn1	1923932075	DDYGAHQBYTZBCN-UHFFFAOYSA-N	249.152	-0.618	50	10	BBGE	
CCNC(=O)CN(CC)C[C@@H]1C[C@@H]1C(=O)NN	1941084922	APLHEZCXOCXARI-IUCAKERBSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1CC1(C(=O)NN)CC1	1945882770	MSOZUGNVNWBUMC-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CN(Cc1ccn(C)n1)CC1(C(=O)NN)CC1	1945888877	IESCNQQXJUDNHN-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
O=C(c1ccncn1)N1CC[C@@H](B(O)O)C1	1951321116	ZCGVXXRZFQAMGP-SSDOTTSWSA-N	221.025	-0.835	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)C1CS(=O)(=O)C1	1955099219	CMSIXZWWQDERNG-CAHLUQPWSA-N	237.708	-0.226	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H](CO)C(=O)OC	1955560281	YKMQEQVPZQUNLY-PHDIDXHHSA-N	223.656	-0.346	50	10	BBGE	
CN(CC(=O)NN)C1(C)CCOCC1	1957334335	VHKMCDDMZNMZLV-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(C#N)C1	1960085548	RJIHVOBXAUXSOQ-SECBINFHSA-N	210.281	-0.154	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCO[C@H]2C1)C(=O)NN	1961582471	GQMFZLGKQAWECR-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
OB(O)c1cnc(Sc2nccs2)nc1	1961710733	VOLNVMQKGSVKIA-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCCC(=O)NN	1962133110	WSSUEPBHHHMGNV-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2ncc(B(O)O)s2)[C@@H]1C	1977196118	APUIMVOMVJHXST-CNYLLVADSA-N	240.093	-0.337	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C2(CCC2)C1	1978833136	ZYAJFMZQSWCETK-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CC[C@H](C1)C2O)C(=O)NN	1979919305	YMAVVVWXXBTGTP-IZJGZUANSA-N	227.308	-0.685	50	10	BBGE	
CN(CC(F)(F)C(F)(F)F)C(=O)C(=O)NN	1980776287	UFHYUEJMLIIDQY-UHFFFAOYSA-N	249.139	-0.368	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C[C@H]1C	1980816969	HRTRLFZSCAJIQB-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)[C@H](C)C1	1980816995	HTFFFTBFUCBOCN-KXUCPTDWSA-N	228.340	-0.221	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	1980978149	IHUNORXYGRDGBF-FXPVBKGRSA-N	227.308	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	1980981284	VEDAUIIYPILTSE-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)CCS1	1981409167	JPQTWYGZDLAURT-SSDOTTSWSA-N	239.109	-0.902	50	10	BBGE	
Cc1nc(CCN2CC(=O)OC(=O)C2)co1	1982446911	HUROJNQCGFDTAO-UHFFFAOYSA-N	224.216	-0.089	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](O)C[C@@H]1C(=O)O	1983676862	LGFBCDGEUXFXGW-NKWVEPMBSA-N	231.252	-0.918	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1987093873	WRZZXOMYOZFTHR-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCCN2C)C1	1987147678	LLQGGZOTHRVVTA-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
COCC1CC2(C1)CN([C@@H](C)C(=O)NN)C2	1987153195	CGAQGTOMHABSPG-QMMMGPOBSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CC(F)C2)O1	1990165225	WKYWBSDDBZSGCF-RKDXNWHRSA-N	231.271	-0.432	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	1993219965	YVRNUJZTSOEBLV-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
CCOC1(C)CN(c2ncccc2B(O)O)C1	2004934996	KCIOSLUPWJSKOA-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC[C@H]1CCN(c2ncc(B(O)O)c(C)n2)C1	2004974294	IICOTLZVKUVHSW-VIFPVBQESA-N	235.096	-0.299	50	10	BBGE	
CCO[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	2006338524	IFCCDJQSPIDYLE-DTWKUNHWSA-N	243.307	-0.360	50	10	BBGE	
CC(C)(F)C1CN(c2ccc(B(O)O)cn2)C1	2009074927	FWQBFLJKZYCZDJ-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
Cc1nccn1CCOCC(F)(F)C(=O)NN	2012465111	GYPOKUVLHGLVNW-UHFFFAOYSA-N	248.233	-0.167	50	10	BBGE	
NNC(=O)CCCCN1CCn2nncc2C1	2013643630	OVSJUTNZPYRKLX-UHFFFAOYSA-N	238.295	-0.746	50	10	BBGE	
Cc1nc(NC(=O)C2(C)CC2)ncc1B(O)O	2015730124	NHPFQBAHSPVFJH-UHFFFAOYSA-N	235.052	-0.797	50	10	BBGE	
COCCN(C1COC1)[C@@H](C)[C@@H](C)C(=O)NN	2018182711	SQNOHVQPQQKOOM-BDAKNGLRSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCNC(=O)C1(C)C	2018185295	OMKYCXVCWKPQSH-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@H](C)CO1	2019219730	PUWCQILCUVEULJ-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
NNC(=O)COCCOC[C@H]1C[C@]12CCOC2	2021273828	PFACGSBMXFOZEK-KOLCDFICSA-N	244.291	-0.564	50	10	BBGE	
Cc1ccc(NC(=O)c2cnco2)cc1B(O)O	2031810943	GJHIOUNOSJFOIP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cn2)on1	2040762562	FJGJHYWGHCFAKL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1CC1CCC1	2052474063	XUPRIRQOKWOTOH-JTQLQIEISA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1ccccc1COCCN1CCCC1	2055688268	QRDRMDAAZREJMA-UHFFFAOYSA-N	249.119	-0.021	50	10	BBGE	
COc1cc(C=O)cc(Cl)c1B(O)O	2060132207	YGECYURDDBVYCZ-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3COC[C@H]32)c1	2077840688	CSMQEORMKVVTIR-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccc(B(O)O)cc1	2079011080	YLWYBNGNAZCECZ-UHFFFAOYSA-N	244.059	-0.376	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C[C@H]1C[C@H]1C(=O)NN	2210631612	XANDFXGSQRHNSO-SGIHWFKDSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](COC[C@H]1CC[C@@H]1C(=O)NN)N(C)C	2211838230	DXGBOKQPEXZMQW-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3COC[C@H]2C3)CCC1	2212248268	VBLXVUHOVFCVTK-RKDXNWHRSA-N	225.292	-0.380	50	10	BBGE	
C[C@H](O)C[C@H](C)Nc1ncccc1B(O)O	2212600704	FMNHPOSZABBWBM-YUMQZZPRSA-N	224.069	-0.667	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1ccc(B(O)O)cn1	2212608903	MGHYZLBZOXHMNO-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCOC[C@@H]2F)c1	2217176669	ZCYGXPCJSVBEMW-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
CC1(C)C[C@H](CNc2ncccc2B(O)O)O1	2217180592	ILRRHFVRBSARGK-MRVPVSSYSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2C(F)F)cc1B(O)O	2217183097	FNAUQPIDYLIWJB-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
C[C@H]1CCN[C@H]1CNc1ncccc1B(O)O	2217183330	HKABZSWVSYXAIE-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](COc1nccc(B(O)O)c1F)[C@@H](C)N	2217192774	JKKIBSUWQJAYQR-RNFRBKRXSA-N	242.059	-0.737	50	10	BBGE	
CC[C@](C)(N)CCOc1cc(B(O)O)ccn1	2217194322	UUEZQWIIQIYUFA-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCNC1	2217196013	PGOCDKMTNRQFCF-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
CCC[C@@H](C)CCN=c1ncc(B(O)O)c[nH]1	2217201451	PPORBORXVPXZBY-SECBINFHSA-N	237.112	-0.184	50	10	BBGE	
CC[C@H](O)CCCNc1ncccc1B(O)O	2217203036	ORJJPSWWOGFONF-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
CC1(C)[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2220059828	SRATVLAWLUVCKD-LBPRGKRZSA-N	249.119	-0.288	50	10	BBGE	
C[C@@H](C1CC=CC1)N(C)c1ncc(B(O)O)cn1	2223670756	CEEUHEOEHWIODG-VIFPVBQESA-N	247.107	-0.053	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](Nc1ncccc1B(O)O)C2	2223674262	OOFYXYBVDRHQFZ-JFGNBEQYSA-N	248.091	-0.259	50	10	BBGE	
CCN(CCSC)C(=O)C#CB(O)O	2241467753	AMHYHRWDFGDDAV-UHFFFAOYSA-N	215.083	-0.787	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CC(C)(C)O1	2243348917	BYVKGFZLHZHUAK-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1nscc1B(O)O	2243349995	UDAOWMGBPWELCI-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
CCC[C@@H](CO)CNC(=O)C1(B(O)O)CC1	2243365236	KAHTVTNCHYSCSW-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
CCC(C)(C)NC(=O)c1c[nH]nc1B(O)O	2243372105	COTZMVWHHCCJSA-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
CNC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243391067	FUDRASGSXRFHLR-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)C1CC(B(O)O)C1	2243396566	NVJXLCXORIOWIQ-OMRMXDSLSA-N	229.060	-0.039	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCCO1	2243399576	NVHDJKGEXKUWBF-UHFFFAOYSA-N	225.009	-0.873	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2243403744	CAZWCLMZFOTCEN-HXFLIBJXSA-N	227.069	-0.467	50	10	BBGE	
CN(CCCF)C(=O)c1coc(B(O)O)c1	2243408493	OHDFWTOPBVOQTR-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
CN(CC(C)(C)CN)C(=O)C1(B(O)O)CC1	2243408686	RYAFFSFQTMUVDG-UHFFFAOYSA-N	228.101	-0.563	50	10	BBGE	
CC[C@@](C)(CNC(=O)C1(B(O)O)CC1)OC	2243410038	UERLLPLAFVCZLV-VIFPVBQESA-N	229.085	-0.075	50	10	BBGE	
Cc1csnc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243426365	HLEOCVIUCNCNEN-BQBZGAKWSA-N	240.093	-0.069	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1[C@@H](C)[C@H]1C)B(O)O	2243433594	NTVKGTGDFZLDEE-AYMMMOKOSA-N	247.125	-0.624	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1(O)CSC1	2243478559	BFAPXLYNEQVVFI-RNFRBKRXSA-N	243.284	-0.619	50	10	BBGE	
C#CCC(=O)NCc1ccccc1B(O)O	2243685396	UBVZLPQQSMIVQJ-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
NCc1cn(CC(=O)N[C@H]2C[C@H](Cl)C2)nn1	2243970589	RWJPKDQKZZIMFO-LJGSYFOKSA-N	243.698	-0.377	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H](F)C1	2244213859	KSUCLMSXFDWTPX-ZCFIWIBFSA-N	227.000	-0.857	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)oc1C	2247737151	DESVBZRERVCNMR-UHFFFAOYSA-N	235.048	-0.589	50	10	BBGE	
C[C@]1(NC(=O)c2ccoc2B(O)O)C=CCC1	2247741329	XYPXMYLPQLCKOC-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
COC[C@@H](CCNC(=O)C1(B(O)O)CC1)OC	2247750755	NVJKVUCVMJXEHX-MRVPVSSYSA-N	245.084	-0.839	50	10	BBGE	
CC(C)CCN(CCO)C(=O)C1(B(O)O)CC1	2247754646	GZSFRVKNONNJTM-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCNC(=O)C1(B(O)O)CC1	2247755351	JJINPFOOZKMMMA-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC(C)(C)C[C@H](O)CNC(=O)C1(B(O)O)CC1	2247755842	KDKIDENFZWGCBV-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
CCCC[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2247782158	QXIGAWILKLJSBF-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
Cc1cc(=NC(=O)C2CC(B(O)O)C2)[nH]n1C	2247799438	DCCJCNKULXSNPB-UHFFFAOYSA-N	237.068	-0.658	50	10	BBGE	
Cc1cc(CNC(=O)C2CC(B(O)O)C2)no1	2247855643	VMVQIZUWDNGLLQ-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1coc(B(O)O)c1	2247874314	QBRJMGYQAIVLCI-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
O=C(N[C@@H](CCO)C1CC1)C1(B(O)O)CCC1	2247878433	JSXAWKNTTCGJGI-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
C=CCO[C@H](C)CNC(=O)C1CC(B(O)O)C1	2247892677	FTVDIASTUIOMSX-XNWIYYODSA-N	241.096	-0.053	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H](C)O1	2247893450	RYJSHSPEMMFYOL-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894886	LVVLUWNILUYVGS-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247897370	RLAYSEJRDGULDA-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1cocc1B(O)O	2249411307	QWJCCAJESOLEAH-BRDIYROLSA-N	235.048	-0.512	50	10	BBGE	
CC[C@H]1NCC[C@@H]1Oc1cc(B(O)O)ccn1	2251025306	UEPFVHAFUMJTDV-ZJUUUORDSA-N	236.080	-0.719	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)NC2(CCCC2)C1	2251500772	ZMDFMJLRMBVOCC-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
Cc1cccc(C(=O)N[C@@H]2CCOC2)c1B(O)O	2255510445	WTAWWVSVRZUPKY-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255550646	YPPLQCPQQZOTOD-SSDOTTSWSA-N	249.079	-0.872	50	10	BBGE	
O=C(Nc1cnc2nccn2c1)[C@@H]1C[C@@H]1B(O)O	2255562856	AFYSNKAMDGPJLK-SFYZADRCSA-N	246.035	-0.469	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@H]2C[C@H]2B(O)O)cn1	2255569434	WEADGBKKVOKYBD-DTWKUNHWSA-N	249.079	-0.051	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H](C)C2CC2)c1B(O)O	2255577052	OTNUQHGYOKPOGZ-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
C#CC(C)(C)NC(=O)c1nccc(C)c1B(O)O	2255581071	LSYLGJJAHDNGDA-UHFFFAOYSA-N	246.075	-0.789	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@H]1C2	2255668843	FRSGUMZUUCTKNW-VDDIYKPWSA-N	248.091	-0.387	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)cn1C(C)C	2255728399	FVGVUSLXKYWACP-UHFFFAOYSA-N	248.091	-0.498	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@]2(C)C[C@@H]2C)n1	2255731217	BTAVDNMMKWIINL-MADCSZMMSA-N	248.091	-0.402	50	10	BBGE	
C#CCCCNC(=O)Nc1cccc(B(O)O)c1	2255891889	GHWPMMRXTJKCNS-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
C=C1CC(CN(C)C(=O)c2cocc2B(O)O)C1	2258127993	MZSQJVYZJSETPF-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2[C@@H]1CO	2298166248	CYIIWQDMZBZYBP-HHKYUTTNSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368993	FLPQNSFFMSFUBC-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
COC[C@H](OC[C@@]1(C)CCCN1C)C(=O)NN	2300070293	UNGNLUVMIPYHGH-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Cn1ccc(B(O)O)n1)CO2	2300541885	ADTSYSYJYIXMPY-KKZNHRDASA-N	236.080	-0.622	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301492010	KQPAJQQGOQWJMN-GMOBBJLQSA-N	241.335	-0.154	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2302553867	TYMGXMGBRHTUNS-OPRDCNLKSA-N	243.112	-0.285	50	10	BBGE	
C#CCCOCC(=O)N1CC[C@](C)(B(O)O)C1	2303109819	VCMPVAZCCYIQRT-NSHDSACASA-N	239.080	-0.508	50	10	BBGE	
Cn1cc(C(=O)N2CC[C@](C)(B(O)O)C2)cn1	2303113277	ZNASHAMUXFWREE-JTQLQIEISA-N	237.068	-0.501	50	10	BBGE	
C=CC[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2303970531	RPYWTQKYALHNSF-AATLWQCWSA-N	239.080	-0.443	50	10	BBGE	
OC[C@H]1C[C@@H]2CC[C@H]1N2c1ncccc1B(O)O	2312612364	SPRGTPTWAOTEEN-WCABBAIRSA-N	248.091	-0.889	50	10	BBGE	
CN(C=C(C#N)C(=O)N1CCOCC1)CCO	2324939444	YCAXGOXLKFDAIX-UHFFFAOYSA-N	239.275	-0.823	50	10	BBGE	
C#C[C@H](C)NC(=O)Nc1cccc(C)c1B(O)O	2327691148	BTCXBLKBIZEULY-VIFPVBQESA-N	246.075	-0.182	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)CCCCl	70912816	JOLGWPGWTNYPML-UHFFFAOYSA-N	242.728	-0.200	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(N)CC1	82470852	SUBYASRXBQJSLT-ZETCQYMHSA-N	200.286	-0.822	50	10	BBGE	
CC(C)c1nnsc1C(=O)NNC(N)=O	83581321	HDBDBWHRRXKRNQ-UHFFFAOYSA-N	229.265	-0.025	50	10	BBGE	
C[C@@](O)(CO)CNC(=O)CBr	85254611	NOXROEBJNLACIM-LURJTMIESA-N	226.070	-0.759	50	10	BBGE	
CCN1CCC[C@@H]1CN(C)CC(=O)NN	86190432	XSAHSIVZYGXAAU-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN2CCC[C@@H]2C1	94468164	VNNFEKPIEORXTC-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
Cc1cc([N+](=O)[O-])cn(CC(=O)NN)c1=O	96778216	PLMDKIXAEGCAMT-UHFFFAOYSA-N	226.192	-0.945	50	10	BBGE	
C[C@@H](C(=O)NN)N1C(=O)C(=O)c2ccccc21	113179687	DCRUDYJNGLYKOE-LURJTMIESA-N	233.227	-0.406	50	10	BBGE	
Cc1cn(C[C@H](Cl)C#N)c(=O)[nH]c1=O	132597951	JRVVLWKGLRFBAQ-ZCFIWIBFSA-N	213.624	-0.024	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CCO)C1	159981922	CDEDHYSNCNMGAX-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
CCCN1CC(=O)N(C[C@@H](O)CCl)CC1=O	163077838	LXKAXVPIZYMFJV-QMMMGPOBSA-N	248.710	-0.333	50	10	BBGE	
C[C@H](N)c1nnc(-c2ccc(B(O)O)cc2)o1	211390488	MCDQAALJEGYYOY-LURJTMIESA-N	233.036	-0.564	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](CN)C1	211882788	QVDNAWKJKHNCAJ-BDAKNGLRSA-N	214.313	-0.574	50	10	BBGE	
NNC(=O)C[C@@H]1CCCCCS1(=O)=O	215804797	MXCQFJIMGOGSAY-ZETCQYMHSA-N	220.294	-0.276	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)[C@@H]1CO	227214744	ZOJHLBXCHZWNTM-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
O=CCC(=O)c1ccc(F)c(B(O)O)c1	238616110	WMWJUPXYIHMQMU-UHFFFAOYSA-N	209.969	-0.723	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCOC1	251529611	DVEOBVOTBJUQIU-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](O)CCN(C)[C@@H](C)[C@H](C)C(=O)NN	253034637	VSCZDMYFFXSNHS-CIUDSAMLSA-N	217.313	-0.296	50	10	BBGE	
NNC(=O)CCc1ccc2c(c1)NC(=O)CO2	258927929	AEWVLKYOJAKUAX-UHFFFAOYSA-N	235.243	-0.060	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](C)(CN)C1	306509326	BMEZSFSTHOUGJE-CBAPKCEASA-N	200.286	-0.965	50	10	BBGE	
NC(=S)NNC=NNC(=O)c1ccncc1	309219641	NKFIQYBEUDGPAY-UHFFFAOYSA-N	238.276	-0.908	50	10	BBGE	
CC(C)(COn1nnc2ccccc21)C(=O)NN	385132394	HXDUAKBOISBMEK-UHFFFAOYSA-N	249.274	-0.124	50	10	BBGE	
C[C@@H](Cl)C(=O)c1ccc(CO)c(B(O)O)c1	396038490	HCSYUBBEAFWACM-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
O=C(O)c1cc2c(O)csc2cc1B(O)O	396374900	CFNSVMPYEFKIKR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H]1CC[C@@H](CN2CC(=O)OC(=O)C2)O1	398162432	IQYVFZHGJFNVEJ-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
C[C@H](CNC(=O)CCCl)S(N)(=O)=O	398228023	GNMUCAZWBQKIGY-RXMQYKEDSA-N	228.701	-0.592	50	10	BBGE	
CN(C[C@H]1CCOC1)CC(C)(C)C(=O)NN	398855280	UCAIDCTUPGNHAE-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
O=C(CCl)NCC[C@@]1(O)CCOC1	404162194	SRPKLSVMFCYOFC-MRVPVSSYSA-N	207.657	-0.117	50	10	BBGE	
CCOCCC(=O)Nc1cccc(B(O)O)n1	404956795	YKRXHWHDBNJDBM-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H](OC)C1CC1	692225922	ZLWPHVZBKGHRGU-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
COC[C@@H]1CCCN1Cc1ccc(B(O)O)cc1	696537675	UUYLDGYJVCJIHF-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)C[C@H]1CO	698217189	WQJJNJPTUSOSSY-NKWVEPMBSA-N	207.657	-0.431	50	10	BBGE	
CN1CCN(C(=O)c2cnn[nH]2)[C@H](CCl)C1	699465642	GBEBUUXMLAMYSA-SSDOTTSWSA-N	243.698	-0.200	50	10	BBGE	
CN(C)CC[C@H]1CCCN1CC(=O)NN	701449296	LVGZBVWXRPEALU-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CC[C@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703445432	WVRICUXXGAZQQF-CSMHCCOUSA-N	213.233	-0.326	50	10	BBGE	
CN1C[C@]2(C)CN(CC(=O)NN)C[C@@]2(C)C1	706290163	PDTFXEIFYOFBTQ-GHMZBOCLSA-N	226.324	-0.750	50	10	BBGE	
C=CCOCOc1cccc(B(O)O)c1	707371644	RGBNRINRGURKMM-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCn1cccn1	707435596	PLYMPCSANVZSAG-QMMMGPOBSA-N	211.269	-0.807	50	10	BBGE	
CN([C@@H]1COC[C@@H]1O)S(=O)(=O)CCCl	709319076	LQWXOAAAZGXVCU-RQJHMYQMSA-N	243.712	-0.754	50	10	BBGE	
NNC(=O)CN1CC[C@@H](c2nccs2)C1	710354438	CURDTMBHBCYCHM-SSDOTTSWSA-N	226.305	-0.078	50	10	BBGE	
C[C@@H](O)C1CN(Cc2cc(C(=O)NN)co2)C1	719805516	AAYCLUCUBNRGIY-SSDOTTSWSA-N	239.275	-0.304	50	10	BBGE	
Cc1nc(Cl)cc(C(=O)NCB(O)O)n1	723208443	ASOVYJVRUCVJQQ-UHFFFAOYSA-N	229.432	-0.820	50	10	BBGE	
C[C@H]1OCCC1=NNC(=O)[C@H]1COCCO1	747765227	XLEPSGINGFMBJI-VXNVDRBHSA-N	228.248	-0.317	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)[C@H]1CCCO1	906396144	YPCCTVWSZLAIJO-RNFRBKRXSA-N	215.253	-0.238	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cc(N)ccn1	1160935722	HDUARFOIIZXPCC-UHFFFAOYSA-N	239.304	-0.255	50	10	BBGE	
COC(=O)C1(NS(=O)(=O)CCCl)CC1	1253546004	UOUOSMNBEJVIBE-UHFFFAOYSA-N	241.696	-0.150	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CCN1CC[C@H](F)C1	1452352935	WEXWRARWCSSMJY-ZJUUUORDSA-N	247.314	-0.236	50	10	BBGE	
C=CCC(F)(F)C(=O)NNC(=O)CO	1641424239	QZJQZZUBUVGPHQ-UHFFFAOYSA-N	208.164	-0.663	50	10	BBGE	
O[C@@H]1C[C@@H](O)CN(CCBr)C1	1880295219	DLYLTRAIQWRLHX-RNFRBKRXSA-N	224.098	-0.191	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1882572728	RUKQHUHDVFZDEJ-VQVTYTSYSA-N	207.657	-0.432	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H](C)Br	1882885228	UGZDZPAKWBTRFS-LURJTMIESA-N	247.092	-0.365	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1883637706	ARNMJARDKMJWBG-UCROKIRRSA-N	204.657	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@]1(C)CCOC1	1884657813	KFSWTCCFOUHQMI-APPZFPTMSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCCN(C)C	1888049444	GIIRNRALECSOLD-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
COC[C@H]1C[C@@H]1CN(C)CC(=O)NN	1888107170	WHGYBGJQPPYJTJ-HTQZYQBOSA-N	201.270	-0.809	50	10	BBGE	
CN(C)CC1(O)CN(C[C@@H](O)CCl)C1	1892497343	ODHHGQMOKAVTTN-QMMMGPOBSA-N	222.716	-0.806	50	10	BBGE	
NC(=O)COC1CN(C[C@@H]2C[C@H]2Cl)C1	1893127065	FQVGOSUUDFMPJM-POYBYMJQSA-N	218.684	-0.200	50	10	BBGE	
CN(C[C@@H](O)CN)C(=O)C=CC(=O)Cl	1893416336	BNTUKRVZMAZPJW-LURJTMIESA-N	220.656	-0.914	50	10	BBGE	
O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893447340	XNLXXPROXLRPND-YMVPXFTJSA-N	219.668	-0.386	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](F)[C@H](CO)C1	1893951980	ZRQHVEDURWAXLX-JGVFFNPUSA-N	219.260	-0.981	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@@H]1CF	1897038353	CJVIHHKIZSGAPP-BDAKNGLRSA-N	231.271	-0.309	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2CC[C@H]2C1=O	1898879895	HLFSUOPAZNXPOK-QYNIQEEDSA-N	225.248	-0.850	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@@H]1N	1901377163	LBDWWVJZFALYFQ-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2cncnc2)C1	1902515895	NGJGNFHAGROFOQ-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
CCOCCOC(=O)N1CC[C@@H](B(O)O)C1	1902541948	UHKLGILELKBWBV-MRVPVSSYSA-N	231.057	-0.292	50	10	BBGE	
OB(O)c1csc(CN2CCCCCO2)n1	1902637561	NIIPFSPDOJMFCS-UHFFFAOYSA-N	242.109	-0.260	50	10	BBGE	
C[C@H](N)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903005363	GERIJUXZVNHXDP-NTSWFWBYSA-N	227.048	-0.952	50	10	BBGE	
COCCCCOC[C@@H]1CC[C@H](C(=O)NN)O1	1908881270	XQVPNIOWFAGZDV-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CC(C)[C@H](N=S1(=O)CCC1)C(=O)NN	1913861543	IYCYOILXPPGYIS-ZETCQYMHSA-N	219.310	-0.127	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	1914259669	MVZTVKSUMZYOMG-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC2(CCOC2)C1	1915583322	OIZNWYJUWDQTJN-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1C[C@H](F)CN1	1923402552	MUGJRGJCUVCNCQ-IMJSIDKUSA-N	243.160	-0.604	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)CCCCO1	1928027908	ZQOPGBRPKYJYHW-VIFPVBQESA-N	215.253	-0.948	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CSC2)C1	1928605575	LVFNACWCXCJAET-LURJTMIESA-N	201.295	-0.586	50	10	BBGE	
CN(c1nccnn1)S(=O)(=O)CCCl	1929010970	JDYCLHPQWLINMW-UHFFFAOYSA-N	236.684	-0.124	50	10	BBGE	
Cn1c(C(=O)NNCCO)cnc1Cl	1929835307	QLXNOVAENURKPO-UHFFFAOYSA-N	218.644	-0.700	50	10	BBGE	
O=C(NNCCO)C12CCN(CC1)CC2	1929837505	AYQDVKIVCMBYFS-UHFFFAOYSA-N	213.281	-0.915	50	10	BBGE	
CN(C)CCN(CCO)C(=O)CCl	1934409756	ZNXCOGREDSPZTF-UHFFFAOYSA-N	208.689	-0.392	50	10	BBGE	
COc1ccc(O[C@H](C)OC)c(B(O)O)c1	1935672407	MBXXNPQBFWDGGQ-SSDOTTSWSA-N	226.037	-0.254	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccsn1	1936531360	FCGWXDLYEWLDKX-UHFFFAOYSA-N	244.320	-0.419	50	10	BBGE	
OB(O)c1ccc(CN2CCCCO2)cc1	1937139878	VTCBQYVEQVDFGW-UHFFFAOYSA-N	221.065	-0.106	50	10	BBGE	
C[C@@H]1CCN([C@H](C)C(=O)NN)[C@H]1C(=O)N(C)C	1942613283	NLQRWCYNWHWZHT-IWSPIJDZSA-N	242.323	-0.837	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]23CC[C@]2(COC3)C1	1942762199	OUHYWAOBIHGCKL-YUSALJHKSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1CC1(C(=O)NN)CC1	1945882746	MLSUSKUGSJUYSR-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](CN(C)CC1(C(=O)NN)CC1)OC	1945912530	LFGJFIKXNWXZRA-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
CC(C)C[C@@H](OC[C@@H]1COCCO1)C(=O)NN	1948420647	NIHQXXFKKHHIRR-VHSXEESVSA-N	246.307	-0.177	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCC(F)(F)C2)c1	1959860774	KWHRDRGQMLHVHS-SSDOTTSWSA-N	215.996	-0.077	50	10	BBGE	
COCCSc1ccc(B(O)O)c(C)n1	1961710473	PZJLIFYPQFUXAL-UHFFFAOYSA-N	227.094	-0.192	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1[C@@H]2COC[C@@H]12	1962322158	LMXAQPKEVFDEHW-YEPSODPASA-N	213.281	-0.811	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cc1	1963152501	SHLDCZKBPNNJDD-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H]1CCS(=O)(=O)C1	1974785688	OLSLLSALKPGXCX-SFYZADRCSA-N	249.719	-0.222	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1c(Cl)cnn1C	1980183872	SMVGQIZHXSTEKT-ZCFIWIBFSA-N	245.714	-0.116	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOCC2(CC2)C1	1981014668	NUWKQHJRSAPBFM-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]2CF)nc1	1981412552	WBAJLLYAJRDWJY-SECBINFHSA-N	224.044	-0.300	50	10	BBGE	
CC[C@H](C)N(C)c1ncc(B(O)O)c(C)n1	1981447307	LRXCOZRTABRZPY-ZETCQYMHSA-N	223.085	-0.300	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cncnc1	1984241436	OABSOHPXVIIADE-VIFPVBQESA-N	223.280	-0.323	50	10	BBGE	
CSCCN(C)c1ncc(F)cc1B(O)O	1988000993	BZXZTDCKYIOHEF-UHFFFAOYSA-N	244.100	-0.300	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1(CCO)CC1	1988601035	FYIYKEMAOMISJC-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCN2CC[C@H]1C2	1989759619	AVAWTLYREZKKCN-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@H]2CC[C@H]21	1990773035	QQHKDXXDWVGOEV-BDAKNGLRSA-N	243.332	-0.267	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOCC12CC2	1990774737	MTRDSARBXZFUPI-UHFFFAOYSA-N	227.264	-0.982	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnns1	1991331244	ZBWUZDFOBSIUKE-ZCFIWIBFSA-N	239.065	-0.631	50	10	BBGE	
O=C(CN1CCNCC1=O)NC[C@H]1C[C@@H]1Cl	1991448426	GBZVWUYYBSAUOC-SFYZADRCSA-N	245.710	-0.838	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(CCO)CCC1	1994893113	RJYOHGUWSAQVNJ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N(C)C)CC12CC2	1997672133	VMQLVEKXTUCWAZ-NXEZZACHSA-N	240.351	-0.077	50	10	BBGE	
Cc1nc([C@H]2CCN2[C@@H](C)CC(=O)NN)no1	1997764176	GEZWDESKFIVGOB-POYBYMJQSA-N	239.279	-0.107	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCn1cncn1	2003826598	VUOABISEPZTZHT-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCc2ncn(C)c2C1	2004040677	NEYJRMDWQGNWTA-SECBINFHSA-N	237.307	-0.453	50	10	BBGE	
Cc1ccc2c(c1)CN(C(=O)C(=O)NN)CC2	2004324101	UZUVLAFKOWSIJV-UHFFFAOYSA-N	233.271	-0.130	50	10	BBGE	
C[C@@H]1N(c2ncccc2B(O)O)CCC1(F)F	2004925767	VFFABCFLNDZDAC-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
Cc1cnc(N2CC(C(F)F)C2)c(B(O)O)c1	2005013814	BALZOBOQKFQTRV-UHFFFAOYSA-N	242.034	-0.229	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@@H]2C)n1	2005017870	LIAYDLFBSUFHNG-OIBJUYFYSA-N	235.096	-0.300	50	10	BBGE	
CC1(CF)CN(c2ncc(B(O)O)cc2F)C1	2008690323	PDAQWLBYDORQJT-UHFFFAOYSA-N	242.034	-0.304	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H](CCO)O1	2009339141	QKROWHGSXWVSEQ-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
COC[C@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	2010896754	AXLULLBBUWSXQJ-BDAKNGLRSA-N	243.307	-0.503	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3CCO[C@@H]3C2)CC1	2012775698	SZVXPBUBGIJUIU-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012894246	ALRKAIFYTLPELJ-LMLFDSFASA-N	241.335	-0.296	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@@H]1C[C@H]1F	2014736116	UJJWIGWPRVKCMS-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@]12COC[C@@H]1C2	2020067970	MXTASZYBAJDSSU-JVUFJMBOSA-N	237.064	-0.760	50	10	BBGE	
Cc1cnc(C(=O)NN(C)C)c(C#CCN)c1	2022058529	NZYVDZYRFBSKTQ-UHFFFAOYSA-N	232.287	-0.093	50	10	BBGE	
CN(CCOCC(=O)NN)C1(CCO)CCC1	2025517049	BKUBQVQCAZRZLH-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COCC(=O)N1CCCc2c(B(O)O)cccc21	2028393400	AWNKXKZLRJGDHB-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CC1(C)C[C@@H]1CC(=O)Nc1ncc(B(O)O)cn1	2040762957	KICDMHFAHRJMQF-ZETCQYMHSA-N	249.079	-0.469	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@@H]1C1CC1	2040767495	SHFFXUACOJOTKV-NXEZZACHSA-N	246.075	-0.254	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1B(O)O	2079009919	LXLVPCBTFNMJLB-UBHAPETDSA-N	245.087	-0.105	50	10	BBGE	
CO[C@@H]1CN(C(=O)F)[C@H](CN)[C@H]1OC	2209446540	VIRRROBLPSPEAC-FSDSQADBSA-N	206.217	-0.251	50	10	BBGE	
C[C@H]1COC[C@H]1OCc1nscc1B(O)O	2211140032	KWKOYLSGDZACQA-IMTBSYHQSA-N	243.093	-0.626	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1[C@H]2COC[C@H]1C2	2211838310	FXPFGHLRNODLKQ-JLIMGVALSA-N	225.292	-0.524	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccno1	2212089014	IISWLNHEQLGIQA-SSDOTTSWSA-N	222.009	-0.495	50	10	BBGE	
COCC[C@H](C)Nc1ncccc1B(O)O	2212601346	MVRGNLWWOAMRHC-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC2[C@H]3CC[C@H]23)c1F	2212605524	GLDMSJYLJXBLNF-WDSKDSINSA-N	222.028	-0.279	50	10	BBGE	
C#C[C@@H](CCC)Nc1ncc(B(O)O)cn1	2212610621	LVOCYHQBYKQKEU-VIFPVBQESA-N	219.053	-0.630	50	10	BBGE	
CN(Cc1ccon1)c1cc(B(O)O)ccn1	2217175216	GANOMCMNTOHLDJ-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CC(C)OCCN(C)c1cc(B(O)O)ccn1	2217176172	SGTUXEOSFMSAAX-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CC[C@@H](Nc1ccc(B(O)O)cn1)C(C)(C)O	2217199522	DAABRXDPCHCPNH-SECBINFHSA-N	238.096	-0.277	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1ccno1	2220069882	GAPBGHQJNPWQSB-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
C[C@H](N)C1CCN(c2ccc(B(O)O)cn2)CC1	2223645622	XXCPRLKTVWMVSS-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
CN[C@H]1CCCN(c2cc(B(O)O)c(C)cn2)C1	2223648003	GFPWLOMNIODGCK-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2CC3(CC3)CN2)nc1	2223657811	GGCHPZCSQRHCNN-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@]23CCCO3)nc1	2223674386	PFPRYSGMOXLMIX-CMPLNLGQSA-N	248.091	-0.115	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1C[C@@H]1C1CCC1	2224032831	VVAACFPJSAAIGB-GXSJLCMTSA-N	248.091	-0.641	50	10	BBGE	
O=C(C#CB(O)O)NOCc1ccccc1	2241468647	RPHYTRYSZRISHX-UHFFFAOYSA-N	219.005	-0.750	50	10	BBGE	
O=C(NC1CC1)c1cscc1B(O)O	2241481415	SCXGQTHWMNMLTR-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC(F)(F)C1	2241495308	IJXNOQGSLVYBNI-UHNVWZDZSA-N	204.969	-0.673	50	10	BBGE	
NNC(=O)CCCO[C@H]1C=CCOC1	2241722041	GKPSCEFYQLGAIK-QMMMGPOBSA-N	200.238	-0.272	50	10	BBGE	
C[C@@H](NC(=O)c1cscc1B(O)O)C1CC1	2243348182	UXAQODRWCARECQ-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
Cc1ncncc1NC(=O)C1(B(O)O)CC1	2243363109	BEBQXZGGYCIOQV-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
O=C(N[C@@H]1CCCNC1)C1(B(O)O)CCC1	2243363553	ISQORNOTXGISKB-MRVPVSSYSA-N	226.085	-0.748	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243391156	HCOPBFFMYQEBNE-XGEHTFHBSA-N	227.069	-0.610	50	10	BBGE	
O=C(N[C@@H]1CCNC12CC2)C1(B(O)O)CC1	2243397938	LNGRGRJJMNGUMP-SSDOTTSWSA-N	224.069	-0.996	50	10	BBGE	
CCN(CC)C(=O)c1cc(B(O)O)cn1C	2243397948	LQDAJPWVVZPNER-UHFFFAOYSA-N	224.069	-0.813	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)on1	2243405073	ZDUMYVRKJLSKEE-YUMQZZPRSA-N	224.025	-0.538	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1csnc1B(O)O	2243412833	UNFMZZVZAMUZJN-IYSWYEEDSA-N	240.093	-0.649	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]21)B(O)O	2243433637	OJDHBHTYYRPAOL-DJLDLDEBSA-N	245.109	-0.728	50	10	BBGE	
O=C(O)CC1(NC(=O)C2(B(O)O)CC2)CC1	2243759278	UQWDDKAYGYBBCD-UHFFFAOYSA-N	227.025	-0.883	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1cocc1B(O)O	2244218099	VPBBWZHJMXGRJO-MRVPVSSYSA-N	223.037	-0.512	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](O)[C@H]1C	2245134929	HHSAHQIILJOYQN-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
CC[C@H](C)CNC(=O)c1ccncc1B(O)O	2247722384	MAYRYEULKSJXAF-QMMMGPOBSA-N	236.080	-0.463	50	10	BBGE	
O=C(N1CCCC[C@@H]1CO)C1(B(O)O)CCC1	2247734213	GFGBDSOLIMWCDF-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)c1ncccn1	2247751190	UOBLWTGDCIVINS-SSDOTTSWSA-N	235.052	-0.339	50	10	BBGE	
CC#CCNC(=O)c1cc(C)cc(B(O)O)c1	2247752747	VDSQSTFHDXPPNW-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CCO)CCC1	2247757549	WFDHMHDDGKQRMU-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
CCONC(=O)c1ccc(OC)cc1B(O)O	2247768091	LETMUTLASSUADU-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1[C@H]2CC[C@H]1COC2	2247787672	SAPIOJPLQWZCCQ-JXUBOQSCSA-N	239.080	-0.371	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)cs1)C1CC1	2247791972	QPVIMYHNGUICGH-VIFPVBQESA-N	249.100	-0.431	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCCO1	2247807743	RURRWCAZGUZYOW-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808343	KVPROZOVCHGJRM-CIUDSAMLSA-N	241.096	-0.389	50	10	BBGE	
CCc1ncc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)o1	2247810349	WPCFZDUIYDOBTB-SFYZADRCSA-N	238.052	-0.284	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)c(C)c1O	2247851378	YMDPQGUFOJTLJU-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
O=C(N1C[C@H](O)CC12CCC2)C1(B(O)O)CC1	2247871794	HURLHCUEWMWTAV-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ccncc1B(O)O	2247873231	HCOASOWYYUTQFK-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1NC(=O)C1(B(O)O)CC1	2247879045	PKNQOYPXJKRCQN-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247896059	DNXMYLYJRUTUDE-PKIKSRDPSA-N	239.080	-0.656	50	10	BBGE	
C=CCO[C@@H](C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247898587	FTVDIASTUIOMSX-GUBZILKMSA-N	241.096	-0.053	50	10	BBGE	
C#CCN(C)C(=O)Nc1ccccc1B(O)O	2247972281	GRQPMGCKGXPCEK-UHFFFAOYSA-N	232.048	-0.537	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)co1	2249409330	VJDRATJVTANXBI-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1cocc1B(O)O	2249420486	VCTMAIFABZFXDF-YUMQZZPRSA-N	237.064	-0.028	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@@H]2CCCC[C@@H]12	2249998406	IMFHMHQDTTZVLJ-NXEZZACHSA-N	235.092	-0.056	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ccn(C)n1	2254125991	WWVLFJWSCUSDFD-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccncc1B(O)O	2255443424	AGMSFBPLXFYCGH-UHFFFAOYSA-N	246.075	-0.753	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@H]1C[C@@H]2C[C@@H]2C1	2255669922	UPMJICRGQUAAJA-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
Cc1cocc1CNC(=O)c1ccoc1B(O)O	2255678036	FBPJOYFOGWBAAV-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C[C@@]1(NC(=O)c2ccc(B(O)O)cn2)C=CCC1	2255715829	KTUNPTBNSJUIPR-GFCCVEGCSA-N	246.075	-0.400	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CC[C@H]2C1	2255727033	ZVHMQQUQFUHFHJ-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC[C@H]1C[C@H]2O	2300201829	SXLYMARPEXSLLC-KAMPLNKDSA-N	239.319	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC[C@@H](CO)C1	2300373439	SSKGHXROECIDBR-MXWKQRLJSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](F)C2=O)O1	2301870945	HUROVVBQTGNRQN-PRJMDXOYSA-N	245.254	-0.906	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](C(N)=O)C1	2302023779	QRZGCTUWNXNTJB-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
CN(C[C@@H]1CCO1)c1ncc(F)cc1B(O)O	2302411742	AHKAHUAPFQMOLK-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(B(O)O)o1	2312848097	MDRLEOAEJUSIFA-VGMNWLOBSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCO[C@@H]2C[C@H]21	2317166746	YRCNLIIXDAFFFJ-VXGBXAGGSA-N	244.059	-0.784	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1cccnc1	15979237	AATXTCGSISPPCL-UHFFFAOYSA-N	206.205	-0.722	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)NNC(N)=S	47098278	XBCHTASZRVCHKI-UHNVWZDZSA-N	202.283	-0.310	50	10	BBGE	
O=C(CCl)NC(=O)N[C@H]1CCCNC1=O	50398459	BCGCNAYDSFUNRJ-YFKPBYRVSA-N	233.655	-0.670	50	10	BBGE	
CCN(CC)C[C@@H]1CC[C@@H](C(=O)NN)O1	82466094	VBQJPGOBKCVXBP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@@H]1CO	82470392	JBIKVNMHRZUZRU-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
CC[C@]1(C)NC(=O)N(CCC(=O)NN)C1=O	82470935	PTHYPPBWMGHXPZ-VIFPVBQESA-N	228.252	-0.913	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCSCC1	82470967	GUBCEMDMBIVLED-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cnc([N+](=O)[O-])n1	82471429	OHTOJGMDLKNDSR-BYPYZUCNSA-N	214.185	-0.873	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC(=O)NC1CC1	110591183	NTJHKQBYLRKTGT-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
Cn1ccn(Cc2cccc(C(=O)NN)c2)c1=O	149373586	PMIIBADSZCKPNC-UHFFFAOYSA-N	246.270	-0.161	50	10	BBGE	
CCn1ncnc1COc1cccc(B(O)O)c1	203556133	SOYHPMMBKHRPFE-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
N[C@H](CC1CC1)C(=O)N1CCC[C@H]1B(O)O	205615608	NGDCTNACLXSLPV-BDAKNGLRSA-N	226.085	-0.883	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](CO)C1	211720835	UCUIVLQDNPAPSQ-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CN1CCC[C@@H](CCO)C1)C(=O)NN	227445015	UQJNUYGMKZRTLM-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CCOCCOc1ccc(OC)cc1B(O)O	228666789	ZILYWIMLKHJXFJ-UHFFFAOYSA-N	240.064	-0.210	50	10	BBGE	
COC[C@@H](Sc1nnc(C)o1)C(=O)NN	232421180	DHOVZSYDAUPWJZ-RXMQYKEDSA-N	232.265	-0.525	50	10	BBGE	
COC[C@@H](S[C@H](C)CN)C(=O)NN	232421680	PODNNPSRWNNELJ-PHDIDXHHSA-N	207.299	-0.928	50	10	BBGE	
CNC(=O)CCN(C)CCCCCC(=O)NN	234349850	DXWLARNZMSPDOY-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CCOC[C@@](C)(O)/C(C)=N/NC(N)=O	238289402	ZDTAHIYCQXATRN-VSBFRKNKSA-N	203.242	-0.182	50	10	BBGE	
Cc1cnc(-n2ccnc2)c(B(O)O)c1	238487699	RPYLUGSZXNZNCX-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
NNC(=O)CC1(C(=O)O)CCC(O)CC1	238655568	CGJPWZGBJJWHOX-UHFFFAOYSA-N	216.237	-0.628	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H](CCO)C1	300228998	LQRFIUWUKDJXOM-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CN1CCC(C(F)F)CC1	306381291	WIWMASUQSFKIBN-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
NC(=O)NNC(=O)NOC/C=C\Cl	308179941	FRKGXMZCGBDEJY-UPHRSURJSA-N	208.605	-0.447	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CN2CCC1CC2)C(=O)NN	310111832	RMYNPDHEKKUDDI-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](C)CNNC(=O)[C@@H]1COCCN1	381565445	TYRULHKVAOJXAH-BDAKNGLRSA-N	215.297	-0.358	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H](C)C(C)(C)O	382990756	WXSNATJZTAEFGE-HTQZYQBOSA-N	217.313	-0.154	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384724621	IVFWTHIQURYBCI-ZRUFSTJUSA-N	240.351	-0.507	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H]2C[C@H]1CO2	387740488	PYIIIBJHDCNMNB-JGVFFNPUSA-N	237.259	-0.144	50	10	BBGE	
C[C@H](O)CN=c1[nH]c(CCCl)nc(=N)[nH]1	389577445	FJVBRCFTBCAYHG-YFKPBYRVSA-N	231.687	-0.720	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@H]1CCOC1	398904016	FNHKUPIMCXTLAM-GFCCVEGCSA-N	249.119	-0.165	50	10	BBGE	
Cc1cc(OCc2cncn2C)ccc1B(O)O	401798501	RGWWLRWEASSAMY-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
N#CC1(O)CCN([C@H]2CCCNC2=O)CC1	687807271	QPNINUSQLUSKFO-VIFPVBQESA-N	223.276	-0.385	50	10	BBGE	
Cc1nn(Cc2cccnc2)c(C)c1B(O)O	694275422	HMVHFVYOJAIZQV-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](F)C1	701712476	KAXKZOBHSQATIN-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
Cc1cccnc1CC(=O)NCB(O)O	702017132	IOPXDVQWKJRHLQ-UHFFFAOYSA-N	208.026	-0.939	50	10	BBGE	
COCC(COC)N(C)[C@H](C)CC(=O)NN	702036513	SILVNCDTOFBTCW-MRVPVSSYSA-N	233.312	-0.652	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1CC(CO)C1	703423588	AHGJUIKJXQYETI-GEPGNKONSA-N	225.244	-0.326	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C)C[C@@H]1CO	703890696	GTUCHGBZOCULOX-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](O)C[C@H]1C	706115356	ONRXRHZNKNVWST-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CN(C)CCO1	709408925	VDCKYLBCYPVLQJ-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@H](O)C2)c1	711161655	ZDXKKRZZGIYOLP-QMMMGPOBSA-N	241.316	-0.082	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC2CC2)O1	713292333	YOYWMFURGMINAB-SFYZADRCSA-N	200.238	-0.297	50	10	BBGE	
O=CC1=CC[C](N2C[C@H](O)[C@@H](O)C2)S1	725566515	SRIHDYHKGGUPHQ-YUMQZZPRSA-N	214.266	-0.267	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cnn(C)c1	828088623	YFIABGGDYSXJRH-ZETCQYMHSA-N	235.247	-0.269	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846387692	BSMSSVZKKDYZAB-FNCVBFRFSA-N	237.259	-0.139	50	10	BBGE	
Cn1cc(C(=O)NN=C2COCC2(C)C)nn1	853382739	HTNDXPAFKMJCIF-UHFFFAOYSA-N	237.263	-0.043	50	10	BBGE	
CCC/C=C\[C@H](O)C(=O)NNC(C)=O	899927877	VAAYASYKIASYSM-SLGIHZDVSA-N	200.238	-0.129	50	10	BBGE	
CN(NC(=O)[C@@]1(C)C[C@H](O)CN1C)C1CC1	911291004	BWMSXMXYQRAPMI-GXSJLCMTSA-N	227.308	-0.433	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C(N)=O	935177950	QXRKSOCVYSDYDS-OMKQZNDVSA-N	225.248	-0.549	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=S)Nc1ccccn1	1176946506	GFARYISQNANDJG-ZCFIWIBFSA-N	240.288	-0.220	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(OC)ncn1	1442130488	GBSGDVFCLXMAJR-UHFFFAOYSA-N	225.208	-0.941	50	10	BBGE	
CCNC(=O)NNC(=O)/C(C#N)=C\OCC	1542342286	QMCJJUZJKFLCBR-SREVYHEPSA-N	226.236	-0.219	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cccn2nnnc12	1624295939	CRSNSSNZJPANCI-UHFFFAOYSA-N	248.246	-0.459	50	10	BBGE	
Nc1ccnc(C(=O)NNC(=O)c2cn[nH]c2)c1	1641348974	DVZFAPPHKGUQGX-UHFFFAOYSA-N	246.230	-0.538	50	10	BBGE	
C[C@@H](O)C(=O)NCCSSCCN	1882342583	WGSMDEGALPYGTO-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	1884452759	SBOPDZRXPSQYPR-PBXRRBTRSA-N	215.278	-0.724	50	10	BBGE	
C#CCNC(=O)CCNS(=O)(=O)CCl	1887695497	YZZDSOAWFIBCQQ-UHFFFAOYSA-N	238.696	-0.758	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)NC[C@@H]1C[C@@H]1Cl	1893099583	PRFYVHCJASOWHG-LYFYHCNISA-N	220.700	-0.172	50	10	BBGE	
O=C1NC[C@H](CNC(=O)[C@@H]2C[C@H]2Cl)O1	1893470260	QURGPHOXQGYCBN-KVQBGUIXSA-N	218.640	-0.162	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)[C@@H]2CC[C@@H]21	1895002632	ACQSLBGKLAYCBA-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CC(C)=C(CN1CCCN(C)CC1)B(O)O	1901618047	RSZYDARDIDHDTM-UHFFFAOYSA-N	226.129	-0.028	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC[C@@H]1C1CC1	1902508105	JFZFSCUXOQBZAH-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
CON(Cc1nc(B(O)O)cs1)CC(C)C	1902638417	ASHYSBUQNDTNTB-UHFFFAOYSA-N	244.125	-0.158	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)Cc1nc(B(O)O)cs1	1902639781	VNYYBOFWIUTRIF-YUMQZZPRSA-N	240.137	-0.089	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@H](CO)[C@@H]2C1	1911276165	FWIXOAQKCSBCDS-QGKZMRNZSA-N	239.319	-0.827	50	10	BBGE	
COC[C@](C)(CO)CNC(=O)CCl	1926985846	SLCVMBQLJZBTLR-QMMMGPOBSA-N	209.673	-0.014	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCCC1=O	1927912615	YWBLURDNHMFTSQ-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
COC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927915285	DXSOFHGMQXAYND-JGVFFNPUSA-N	213.281	-0.667	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]1CO	1929740564	JUUMLMOFKXBOLK-RKDXNWHRSA-N	215.297	-0.542	50	10	BBGE	
CN(C)NC(=O)[C@H](CN)[C@H]1CCOC1	1930482039	YORDZVJZLPMQRS-JGVFFNPUSA-N	201.270	-0.809	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)C1CS(=O)(=O)C1	1932006731	GEXAXVPMRFKOLF-RXMQYKEDSA-N	225.697	-0.131	50	10	BBGE	
CC[C@]1(C)CN(CC(=O)NN)CCO1	1932354102	ACAAPIHAOHSREH-SECBINFHSA-N	201.270	-0.523	50	10	BBGE	
C#CCN(CCO)S(=O)(=O)CCl	1933491063	ZUNNZKHNIDENNM-UHFFFAOYSA-N	211.670	-0.560	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)CCSC1=O	1936082989	HHEJAPSXMUEPLO-PHDIDXHHSA-N	243.288	-0.302	50	10	BBGE	
C[C@@H]1C(=O)N(CC2(C(=O)NN)CC2)C[C@@H]1C	1938233254	PAWAOXAYYNIADI-YUMQZZPRSA-N	225.292	-0.129	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@H]1O	1941088297	PMEAVYSYHSTYCZ-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@]1(C)CCOC1	1941089858	XUIJSVZEOAUUBT-NHCYSSNCSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@]23CC[C@@]2(COC3)C1	1942762198	OUHYWAOBIHGCKL-USWWRNFRSA-N	239.319	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1[C@H]2CCC[C@H]12	1945075714	UFMUDTHONYIWAQ-ATZCPNFKSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1946082864	CYRDQFOWWNPKEZ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COC1(C(N)=O)CN(CC=CCCl)C1	1956257040	YLOOVPOERBFSBM-UHFFFAOYSA-N	218.684	-0.033	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(CCC(=O)NN)C1	1957739219	OVZFEIMXJCMZGL-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ncncc1B(O)O	1961778105	LXAPLTJFJKWLDG-POYBYMJQSA-N	207.042	-0.999	50	10	BBGE	
O=C(CN1CCCC1)N1CC[C@@H](B(O)O)C1	1972413295	MJPOOEQYPHYWCQ-SECBINFHSA-N	226.085	-0.843	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](O)CN1C[C@H](O)CCl	1975204594	XSBUNNNPQNWTBY-OPRDCNLKSA-N	236.743	-0.417	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H](CF)C1	1981247749	IGJVSTARQGZOLD-DTWKUNHWSA-N	233.287	-0.329	50	10	BBGE	
CN(Cc1cnc2cccnn12)C(=O)NN	1981282560	QCDFRGRXXNZRND-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
C[C@H]1CCOCCN1c1nc(B(O)O)cs1	1981469602	VNUJBKVUJDRQBY-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1N=c1[nH]nc(CCl)o1	1982021623	TVVWRRHPMLKYEG-XINAWCOVSA-N	246.654	-0.715	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H]1Cc2nncn2C1	1983008233	OJHKSBCGCVLJHM-JGVFFNPUSA-N	238.678	-0.193	50	10	BBGE	
CC1CC(Cn2cccc(B(O)O)c2=O)C1	1984101922	PJBMVPNCIPDOBG-UHFFFAOYSA-N	221.065	-0.426	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	1986121996	WCXDETHGYRTVNC-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CCN1[C@H](C)CN([C@@H](C)C(=O)NN)C[C@H]1C	1987310943	XRKSYKHHECUJRP-BBBLOLIVSA-N	228.340	-0.221	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@H]1C[C@H]1C(=O)NN	1987560239	KJNWJEXBBTVCMY-DOLQZWNJSA-N	224.308	-0.999	50	10	BBGE	
CCO[C@@]1(CN(C)CC(=O)NN)CCOC1	1987733363	RAYYFQKXRSDLOG-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
CC(C)(CN1C[C@H]2COCC[C@@H]21)C(=O)NN	1989936771	SPGHRYYXKMRWPJ-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(B(O)O)cc1	1990070113	WVAOUIHVNRGNIS-SSDOTTSWSA-N	223.037	-0.924	50	10	BBGE	
C[C@H]1[C@@H](C)[C@H](N(C)CC(=O)NN)CCN1C	1990104698	HGXAOJSBAGYRCP-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@H]1CCOC1	1991327428	QEBPKSYEDGNREG-CBAPKCEASA-N	225.053	-0.760	50	10	BBGE	
C=C(CN(C)C[C@]1(C)COCCO1)B(O)O	1992145026	HLQMNDPJIKHJCI-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
COC[C@@H](C(=O)NN)N1Cc2ncsc2C1	1993517927	FWAOZCRZSWVKCT-ZETCQYMHSA-N	242.304	-0.536	50	10	BBGE	
NC(=O)CC[C@@H](N)C(=O)NCC1CC(Cl)C1	1994940526	USUBEUSEJOQYRT-KAVNDROISA-N	247.726	-0.287	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1996925967	IEDPLJTVZPMQES-JTQLQIEISA-N	244.314	-0.517	50	10	BBGE	
CN(Cc1cn(C)cn1)C[C@H]1C[C@H]1C(=O)NN	1997728698	RFZKOXMCTAUVOP-PSASIEDQSA-N	237.307	-0.522	50	10	BBGE	
CC1(C)[C@H](C(=O)N2CCC(O)(C#N)CC2)[C@H]1N	1998074878	FHAYKDFCQRQERD-DTWKUNHWSA-N	237.303	-0.153	50	10	BBGE	
COc1nn(C)cc1CN(C)[C@@H](C)C(=O)NN	2002562661	GEHHHGRDLFQNTC-ZETCQYMHSA-N	241.295	-0.761	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@H](C)COC	2004917285	AOGFBFVIZJJFLE-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
Cc1nc(N(C2CC2)C2CC2)ncc1B(O)O	2004973828	APUXMLFAMKJPCG-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@@H]2CC1=O	2008869844	GNNANMNDYKNTEN-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCC(=O)NC1	2012017946	WDWPWNPQZAGGGM-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)CCOCC(=O)NN)O1	2019516616	PHFPOXWBMVFJGH-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]2CC[C@H](C1)O2	2021114655	NGDMWDPETYYQJL-OWUUHHOZSA-N	237.064	-0.924	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1ncc(B(O)O)cn1)C2	2026849318	QVYRKDBIHPMTCH-LDYMZIIASA-N	233.080	-0.607	50	10	BBGE	
O=C(CC1CCCC1)Nc1ncc(B(O)O)cn1	2040768400	FKJHUIJMLCJVBL-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccccc2B(O)O)c1	2051645587	HXINJHVJLYYZEH-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CN(C[C@H]1CCCN1C)c1ccc(B(O)O)cn1	2052473580	UICILSUSLRZXBH-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2cc(C3CC3)cn2)n1	2052598037	NHQZHOBRSRZNKE-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
O=C(O)C1(c2ccc(B(O)O)cn2)CCC1	2081147663	IRWNFLLSDJYLDU-UHFFFAOYSA-N	221.021	-0.732	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@H]1CF	2211136259	PTRQXSUTUNOUCB-ZETCQYMHSA-N	244.100	-0.243	50	10	BBGE	
CC(C)(CN1CC[C@@H]2C[C@H]2C1=O)C(=O)NN	2211799555	ZRKUCHLVJNIOFY-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C[C@@H]2C[C@@H]2C1	2212272787	BHONDNZVDFFTQJ-UTINFBMNSA-N	227.308	-0.278	50	10	BBGE	
C#CC1(Oc2ccc(B(O)O)cn2)CCC1	2212605509	GCTTZMVOLGKGDB-UHFFFAOYSA-N	217.033	-0.304	50	10	BBGE	
CC[C@@H](N)COc1nccc(B(O)O)c1F	2212606125	OWEXRCRRMKERSV-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
C#C[C@@H]1CCN1c1nccc(B(O)O)c1F	2212606438	UGKFBQLQXZXHRE-SSDOTTSWSA-N	220.012	-0.888	50	10	BBGE	
NCC1(Oc2cc(B(O)O)ccn2)CCC1	2212607146	GUEWIASIAHFMMQ-UHFFFAOYSA-N	222.053	-0.978	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2[C@@H]3CO)CCC1	2216535336	ZDWWQKIGJYHNHQ-BBBLOLIVSA-N	239.319	-0.541	50	10	BBGE	
CNC1(COc2ncccc2B(O)O)CCC1	2217166624	HSHLCGVHQIREHB-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
OC[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217175127	DXKFKKVKPZGZAV-DTWKUNHWSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H]1CCNC[C@H]1Nc1ncccc1B(O)O	2217176257	UGSDCOKINVWWKC-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2CCOC2)cc1B(O)O	2217179352	JSLREJVFMBVWRD-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1ccc(NCc2ccccn2)nc1	2217179996	PVPVMXUILNRFNR-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
CC(C)[C@](C)(CN)Oc1ncccc1B(O)O	2217182847	CZKLRPTYQPVAAJ-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)[C@@H]1CCCO1	2217183898	LMRPBGNBMNOUSA-CBAPKCEASA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCC=CO2)c1	2217195417	KABOXFZLQGMDHU-JTQLQIEISA-N	234.064	-0.134	50	10	BBGE	
NC[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217197097	KJELASQUFLLRPK-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
CC(C)C[C@@H](CO)Nc1cc(B(O)O)ccn1	2217197130	XRKCBIGXSQCQKT-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCCNC1	2223628997	SKULHKLIPIPJBL-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)nc1	2223632673	MVLSOZQYPRQYBE-WVTGURRWSA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN3CC[C@H]2C3)nc1	2223651045	AAPBFFNISMIBTL-ONGXEEELSA-N	247.107	-0.733	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCCCN1	2223651599	XZDDJNUENLSRLE-JTQLQIEISA-N	249.123	-0.295	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CC[C@H]3CC[C@H]2N3)c1	2223657800	GDDRJYOYVGRWHZ-MXWKQRLJSA-N	248.091	-0.577	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@]3(CCCO3)C2)c1	2223678400	BEQZSMSHSHXWKG-LBPRGKRZSA-N	248.091	-0.479	50	10	BBGE	
CON(C)C(=O)c1cscc1B(O)O	2241471283	HZNLSKCRJKWQEH-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
CC(C)ONC(=O)C1(B(O)O)CCC1	2241472811	YAICQVJUXSHHFW-UHFFFAOYSA-N	201.031	-0.160	50	10	BBGE	
NCCS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241668022	PFMBLAKRKJXQTG-IZLXSQMJSA-N	212.702	-0.366	50	10	BBGE	
COC[C@H](O[C@@H](C)C(F)F)C(=O)NN	2241797800	LIGNVPMNXRCUGJ-WHFBIAKZSA-N	212.196	-0.339	50	10	BBGE	
OB(O)c1cnc(SC[C@@H]2CCCN2)nc1	2242795846	LYYAPIDWAJWIOC-QMMMGPOBSA-N	239.109	-1.000	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cscc1B(O)O	2243346784	CRXBZGIOEHGSRT-SSDOTTSWSA-N	237.089	-0.478	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)no1	2243363559	IUSCOBSINPSNPF-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CC1	2243364418	WXIMNWZBNWTLJI-SFYZADRCSA-N	226.085	-0.798	50	10	BBGE	
O=C(Nc1cnoc1)c1csnc1B(O)O	2243377886	ITINHCXHYGGUNR-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C[C@@H](CCCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382752	RIGBZTORSBYNTH-XHNCKOQMSA-N	229.085	-0.483	50	10	BBGE	
CCN(C)CCNC(=O)C1CC(B(O)O)C1	2243396144	IGISQQXDRBDWIF-UHFFFAOYSA-N	228.101	-0.693	50	10	BBGE	
O=C(NCCSCCCO)[C@H]1C[C@H]1B(O)O	2243396915	SLSABGOZAHDEFQ-JGVFFNPUSA-N	247.125	-0.919	50	10	BBGE	
Cn1nccc1NC(=O)C1(B(O)O)CCC1	2243409973	SGQZUWVQXVKMII-UHFFFAOYSA-N	223.041	-0.244	50	10	BBGE	
CCCN(OC)C(=O)c1occc1B(O)O	2243410728	GUAXSNATZCACGR-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1[C@H]2COC[C@H]1C2	2243416905	OEFLKCYLGNYQLC-BZNPZCIMSA-N	225.053	-0.761	50	10	BBGE	
CCC(C)(C)NC(=O)c1n[nH]cc1B(O)O	2243419807	HDWXKJYCMOZJOB-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOC(F)(F)C1	2243425887	CDQKYZRXEMTUOH-WDSKDSINSA-N	234.995	-0.699	50	10	BBGE	
OB(O)C1CCN(Cc2ncccn2)CC1	2244175810	DWLAEOBFEWFUTL-UHFFFAOYSA-N	221.069	-0.085	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2COC[C@H]1C2	2244496293	AZOKQGDYTCNCLP-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cscc2B(O)O)C1	2247722000	JTXSKNCABLUULC-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1CO	2247732542	HECKPPFAHLZVRH-IUCAKERBSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1coc(B(O)O)c1	2247735901	PTRMANJDCPJUOJ-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247787789	UUKILEMTJOQXEP-KXUCPTDWSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791056	KYFVULYPMVLLGJ-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
C[C@]1(NC(=O)C2CC(B(O)O)C2)CCC[C@@H]1O	2247793385	XMTVOSXCOIOZCE-CAUGXEKISA-N	241.096	-0.341	50	10	BBGE	
CC(C)[C@]12CC[C@@H](NC(=O)C#CB(O)O)[C@@H]1C2	2247846912	OKIHYOUKMFKPLR-HOSYDEDBSA-N	235.092	-0.057	50	10	BBGE	
C[C@@H]1CCCC[C@@]1(CN)NC(=O)C#CB(O)O	2247848081	GUVLBCXGXREOEQ-KOLCDFICSA-N	238.096	-0.974	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)CCF)n1	2247875210	WSYLFGUNIBBKHM-UHFFFAOYSA-N	240.043	-0.889	50	10	BBGE	
CN1CC2(CCN2C(=O)C2(B(O)O)CCC2)C1	2247878004	LBKRTCFNFUZNCC-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
CC(C)C[C@@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247892667	FQBGBICISNTCJZ-AEJSXWLSSA-N	242.128	-0.271	50	10	BBGE	
C[C@@H](CCCO)CNC(=O)C1CC(B(O)O)C1	2247892862	IXMDZGYADFLIKJ-IDKOKCKLSA-N	243.112	-0.236	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896005	WRMZVCGJPPCBFW-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCCn1cccc1)[C@H]1C[C@@H]1B(O)O	2247897852	XKROYVMUWCSWCP-UWVGGRQHSA-N	236.080	-0.143	50	10	BBGE	
NCC[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247900586	YCETUPUBXAIJCN-XKNYDFJKSA-N	240.112	-0.517	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CC=CCO2)C1	2247900772	ZMFRQUJRCAOQBC-BDAKNGLRSA-N	237.064	-0.593	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](F)[C@H](CO)C1	2247908973	CNCXUQHYGDZECR-RBXMUDONSA-N	245.059	-0.972	50	10	BBGE	
C[C@@H](CN(C)C(=O)C1(B(O)O)CCC1)C(=O)O	2248573411	DNQFHZNMXYOBOI-ZETCQYMHSA-N	243.068	-0.437	50	10	BBGE	
C[C@H]1C[C@@]1(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575819	CBFLFNLLUWHCEB-RCOVLWMOSA-N	241.052	-0.780	50	10	BBGE	
O=C(O)C1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC1	2248576617	HSRWBYZUTAGELE-LJGSYFOKSA-N	241.052	-0.637	50	10	BBGE	
C[C@]1(C(=O)O)C=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586707	GATFIFTZJCJTKX-MATHAZKKSA-N	239.036	-0.909	50	10	BBGE	
O=C(NCC=C(F)F)c1ccccc1B(O)O	2248628322	VXGPMYIADBXUFJ-UHFFFAOYSA-N	241.002	-0.123	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H](C2CC2)C1	2255460143	QDWNJFHAQYFSIO-SECBINFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCCC[C@@H]21	2255465073	FKSSSOCPCMZRNB-KCJUWKMLSA-N	248.091	-0.291	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2255469322	NPDLNFNPCFARCP-UJNFCWOMSA-N	249.075	-0.170	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cn1)C1CCCC1	2255470817	KIXUJTIHNFHJEH-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCCC#N)c1	2255513245	NPKCBLFGFZBDQO-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCn2ccnc2C1	2255570191	DBLXLIROEVZVFZ-KYZUINATSA-N	249.079	-0.522	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1occc1B(O)O	2257072593	VYXXHLVRCHUYNT-SFYZADRCSA-N	249.075	-0.170	50	10	BBGE	
C=C(CN1CC[C@H]2CCCN(C)[C@@H]2C1)B(O)O	2299137285	OSNDMGAEASXLGQ-VXGBXAGGSA-N	238.140	-0.029	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H](F)C2=O)on1	2301871681	RMMZWQVMOIFZFN-ZCFIWIBFSA-N	242.210	-0.652	50	10	BBGE	
CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	2303124288	PUKKGEDYVBKXFL-LPEHRKFASA-N	242.128	-0.162	50	10	BBGE	
CNC1(CNc2cc(B(O)O)c(F)cn2)CC1	2303836917	SUSCUDXDDVCCPF-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
O=C(NC[C@@H]1O[C@H]2CC[C@H]1C2)[C@H]1C[C@@H]1B(O)O	2307489390	UBFBAXGPUACAHK-WYCDGMCDSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H](Cc1ccncc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2312851729	RJOKKPVQJSWZLT-GDPRMGEGSA-N	248.091	-0.008	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1c1ccc(B(O)O)cc1C#N	2317160314	BWXIWCAUDGIQOO-LDYMZIIASA-N	246.075	-0.802	50	10	BBGE	
OB(O)c1cnc(OCc2ccccn2)c(F)c1	2317843425	HBRYKTPIPUGDGT-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
NC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl	2209214	ODECUMYAQINPTO-DMTCNVIQSA-N	228.726	-0.776	50	10	BBGE	
C#CC1C(C=O)=CN(C(N)=S)C=C1C=O	39124834	XLPIQBUGZBGMFG-UHFFFAOYSA-N	220.253	-0.039	50	10	BBGE	
NNC(=O)CCOc1cccc(CO)c1	82465659	RAKFDECZIOYVRQ-UHFFFAOYSA-N	210.233	-0.062	50	10	BBGE	
CCC[C@@H]1NC(=O)N(CCC(=O)NN)C1=O	82470886	GQRXOJZKHSWULO-LURJTMIESA-N	228.252	-0.913	50	10	BBGE	
O=C(CNS(=O)(=O)CCl)NC1CC1	82511900	NWHBWUJLJSTHJS-UHFFFAOYSA-N	226.685	-0.619	50	10	BBGE	
CNCCN(C)[C@@H](C)[C@H](C)C(=O)NN	86313700	SZBNXRONWMQYPY-YUMQZZPRSA-N	202.302	-0.848	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NCCN	86550515	IFRFSQVQSRSARP-ZCFIWIBFSA-N	214.718	-0.261	50	10	BBGE	
CN(C)[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	86597849	WQYXCWVTEQXSFU-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
CCC(=N\NC(N)=O)/C(C)=N/NC(N)=O	108170912	AUDMMHFKJGYBGN-ZVSIBQGLSA-N	214.229	-0.535	50	10	BBGE	
CC(O)([C@@H](O)CCl)[C@@H](O)CCl	148702421	NWWSZHSWWCHNLS-WHFBIAKZSA-N	203.065	-0.063	50	10	BBGE	
CN(C)NC(=O)N[C@H](CCC(=O)O)C(=O)O	149043280	UUNPUTAHNXGAAI-RXMQYKEDSA-N	233.224	-0.920	50	10	BBGE	
Cc1nccn1CCOc1ccc(B(O)O)cc1	198929348	YVQCJHJJMZLWGR-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
CC(C)NC(=O)c1ccccc1B(O)O	206432047	PSKYAGHGQAAYEB-UHFFFAOYSA-N	207.038	-0.495	50	10	BBGE	
CN1CCC[C@H]2CN(CC(=O)NN)CC[C@H]21	227352366	YBNXKORQRVLKNT-VHSXEESVSA-N	226.324	-0.608	50	10	BBGE	
COC[C@H](SCCCN)C(=O)NN	232421693	AZWDAMCXCFPTBX-LURJTMIESA-N	207.299	-0.927	50	10	BBGE	
CS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NN	235053795	CTROPHJGFSLGFU-NKWVEPMBSA-N	231.321	-0.233	50	10	BBGE	
O=C(OC[C@H](O)CCl)[C@H](O)CCl	238704813	HAWXESYYMCLVEA-RFZPGFLSSA-N	217.048	-0.271	50	10	BBGE	
COC(=O)N(C)NC(=O)Cc1ccnn1C	286562585	ZUCYBUKXTSUDRH-UHFFFAOYSA-N	226.236	-0.308	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)[C@H]1CCCO1	293993232	ROZRCUQVAXVPRG-RXMQYKEDSA-N	222.191	-0.032	50	10	BBGE	
O[C@H]1C=C[C@H](O)[C@@H](Br)[C@H]1O	306598132	PAROLDXMOUZNDL-AZGQCCRYSA-N	209.039	-0.598	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)NNC(N)=S	307449650	BHBBZQCVSJXMQB-BYPYZUCNSA-N	202.283	-0.168	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1B(O)O	307523485	QDYJZSXYEIJDFY-RNFRBKRXSA-N	231.057	-0.631	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(C)(O)C1	307633855	RYIOFZQQHSNHEO-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
COC[C@]1(C(=O)O)CCN(C(=O)NN(C)C)C1	379757304	YJCHZSZJXSGXTQ-JTQLQIEISA-N	245.279	-0.404	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)c1ccon1	381310348	LJLLWHLMTXSVQG-LURJTMIESA-N	226.236	-0.508	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(O)(C2CC2)C1	384132083	LLKVAGDDOQYVPR-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@@H]1CCCO1	404914380	MSHCHKOYRKFQQK-NSHDSACASA-N	249.075	-0.838	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1ccncn1	404991826	DDQDYBBCHMUXDP-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCCC(=O)NCc1ccccc1B(O)O	405046533	DPIXRJVHSKRXMZ-UHFFFAOYSA-N	221.065	-0.217	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](O)C1CCC1	496430359	MLTHSHZONMQHJJ-ZETCQYMHSA-N	216.237	-0.123	50	10	BBGE	
Cn1cc(C(=O)NN)nc1Br	575595554	OXRSQOPMQUPDSG-UHFFFAOYSA-N	219.042	-0.214	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)cc1	584983587	PMANGINCTAQXHD-GDNZZTSVSA-N	245.087	-0.105	50	10	BBGE	
Cn1cc(NC(=O)NC(=O)CCl)nn1	606286591	RKHNCZYMBIXMHP-UHFFFAOYSA-N	217.616	-0.298	50	10	BBGE	
CCC[C@@H]1COC[C@H]1N(C)C(=O)C(=O)NN	688150132	YQLINXIMFCKRPC-HTQZYQBOSA-N	229.280	-0.750	50	10	BBGE	
C[C@@H]1CCCN(CC(=O)NN)[C@@H]1CO	688740720	WWFJJIRNVHDCQM-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](CN1CC[C@@H](CN(C)C)C1)C(=O)NN	689159457	ONXFCFPJFVJUQP-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
Cc1nc(NN)cc(N2CCC(O)(C#N)CC2)n1	692150345	AQXMYMPKEWCOAC-UHFFFAOYSA-N	248.290	-0.075	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(C#N)CC1	693910386	ASMGPMCZWIWWMO-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1ccn(CC[C@H]2CCCO2)n1	694229005	NXNJJZXYRAXGLB-MRVPVSSYSA-N	210.042	-0.868	50	10	BBGE	
CN1CCCC[C@@H]1CCn1cc(B(O)O)cn1	694508613	MWMHHLRMWJTXTN-LLVKDONJSA-N	237.112	-0.563	50	10	BBGE	
CC(C)O[C@@H]1CCN(CC(=O)NN)C1	701686619	WLNGONKYRIEMMF-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CC(C)(C)C(=O)NN	706113681	DMNKGQAMTHMYHN-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3C[C@@H]32)c1	707085043	GTGCKGVTDOQVDZ-JQWIXIFHSA-N	217.077	-0.039	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2C[C@@H]2C2CC2)n1	714935133	TUMIVZADQNZYEL-NXEZZACHSA-N	220.081	-0.001	50	10	BBGE	
CN(C)C[C@@H](Cl)CNS(C)(=O)=O	717295860	ALGHIWWNGWPACX-LURJTMIESA-N	214.718	-0.295	50	10	BBGE	
C[C@@H](CCl)N[S@+]([O])(=O)c1c[n+](C)n[nH]1	725702733	CHTZCMCPTZUXLX-UWORMDEDSA-O	239.708	-0.430	50	10	BBGE	
C#CCCNC(=O)NNC(=O)Cc1ccccn1	733347124	NKATWEHYHUSAOV-UHFFFAOYSA-N	246.270	-0.022	50	10	BBGE	
CC(C)(C)c1noc(C=NNC(=O)CO)n1	758126575	LNQMQXFEWQLEOQ-UHFFFAOYSA-N	226.236	-0.191	50	10	BBGE	
N#Cc1c[nH]c(C(=O)NNC(=O)[C@H]2CCCO2)c1	817213753	CHGKTLFAHZPVSM-SECBINFHSA-N	248.242	-0.174	50	10	BBGE	
COC1(C(=O)NNC(=O)C(C)(C)O)CC1	843863791	HSXYHKFJXPUWEP-UHFFFAOYSA-N	216.237	-0.916	50	10	BBGE	
Cc1nc2ccccn2c1C(=O)NNC(=O)CO	1290347132	XXJFLVOZMLYHOY-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
C=CCCCNC(=O)NNC(=O)C(=O)OC	1321034460	HFQASUOWYZHHDF-UHFFFAOYSA-N	229.236	-0.544	50	10	BBGE	
CC(=NNC(=O)c1cc[nH]n1)[C@@H]1COCCO1	1333707892	MZRSKDCMTYYFHX-VIFPVBQESA-N	238.247	-0.069	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cc(F)cnc1O	1457838413	UJHKFFXFABUIDV-UHFFFAOYSA-N	238.182	-0.199	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)CC1CC1	1468447473	UCCHECFHIBYTDK-QMMMGPOBSA-N	224.260	-0.028	50	10	BBGE	
CCOC(=O)NNC(=O)c1nsnc1O	1472476662	ROYCRLDMYXIESX-UHFFFAOYSA-N	232.221	-0.365	50	10	BBGE	
C/C=C/C(=O)NNC(=O)c1cccnn1	1633305687	GQPAOAOQXPPGPF-DUXPYHPUSA-N	206.205	-0.186	50	10	BBGE	
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1879957609	FMCBBUPEYRLKJR-ZCFIWIBFSA-N	233.268	-0.484	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC([C@@H](O)CO)C1	1887280983	KCRSDOCHWKOBLZ-XPUUQOCRSA-N	221.684	-0.327	50	10	BBGE	
NNC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](O)C2	1888384889	FDDHVIMBGXFEOT-ZTYPAOSTSA-N	203.217	-0.495	50	10	BBGE	
CO[C@@H](CN)CNC(=O)C=CC(=O)Cl	1888787894	LUUKTFKUGDGPEH-LURJTMIESA-N	220.656	-0.602	50	10	BBGE	
CC(C)(O)CCN1CC[C@H](B(O)O)C1	1891493444	VMFSUZCLRVHDSX-QMMMGPOBSA-N	201.075	-0.304	50	10	BBGE	
O=C(O)C1(N[C@H]2C[C@@H](Br)C2)CNC1	1892922709	YCZDNXPSHNRCGX-OLQVQODUSA-N	249.108	-0.072	50	10	BBGE	
C[C@@H]1COC[C@H](C(=O)O)N1C(=O)NN(C)C	1895009573	ZYYOYSLPYIVGFS-RNFRBKRXSA-N	231.252	-0.654	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@H](F)C2)CC1	1900252674	VTHYSJPXUKHMCC-MRVPVSSYSA-N	231.271	-0.573	50	10	BBGE	
CCCCN(C)C(=O)c1cnsc1B(O)O	1900466789	LECKNEIWDOOPEB-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
CN(CCOCC1CCC1)C(=O)C(=O)NN	1900854542	IPSXFCKNTAQHGM-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1n1cc(B(O)O)ccc1=O	1901186973	LMBRBAOHIHMSDL-VROVMSAKSA-N	221.065	-0.255	50	10	BBGE	
C=CC[C@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901377945	UYWPCKILIZSXIQ-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](SC(F)F)C1	1901596148	HFUZLEWKKLQNOL-LURJTMIESA-N	249.047	-0.442	50	10	BBGE	
CN1CC[C@@H]1COCc1nc(B(O)O)cs1	1902658991	XBBNFUMHFMGLON-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
C#CCN1CC[C@H](NS(=O)(=O)CCl)C1	1903237433	RYZHCMUZZBHTEK-QMMMGPOBSA-N	236.724	-0.190	50	10	BBGE	
CN(Cc1cn2cccnc2n1)C(=O)NN	1904679355	ODLHHPPCXYMVJN-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)[C@@H]2C[C@@H]21	1906866351	FHKLTOFTIHHWRJ-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@H]1COC(C)(C)CO1)C(=O)NN	1910136441	RYNGXOJXIMGNPC-ZETCQYMHSA-N	217.269	-0.305	50	10	BBGE	
C[C@H](CCC(=O)NN)N=S1(=O)CCOCC1	1913861387	JRWBLYYEKVFDPV-MRVPVSSYSA-N	249.336	-0.357	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C12CCC2	1914395620	FPBUKQNPUTVFNJ-IVZWLZJFSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCOC1CC1	1914549955	FAKXCSPGANTQMH-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC2(COC2)C1	1915568299	NQFQJEVTTHORMF-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](N)C(=O)N1CC=C(C#N)CC1	1917097590	PQOKSNJUOOVDEA-VIFPVBQESA-N	209.249	-0.358	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1C[C@H]1C(=O)NN	1927918893	YQJXLRVQSADORS-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
CC(C)(F)[C@H]1CCN(C(=O)C(=O)NN)C1	1928188739	ZFDROBWAGDZKME-LURJTMIESA-N	217.244	-0.427	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCC[C@H]1C2	1928259051	FWMKBCREVJAUNV-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@](C)(O)CO1	1930291797	QKRLGXGNJNHKTD-CBAPKCEASA-N	217.269	-0.857	50	10	BBGE	
C[C@H]([C@H](O)CO)N1C[C@@](C)(CCl)C1=O	1931725985	NRIRLYAPJGDJEX-ZXFLCMHBSA-N	221.684	-0.185	50	10	BBGE	
C[C@@]1(F)CCN(CCOCC(=O)NN)C1	1932096634	PUVHUAIDOLSTGJ-SECBINFHSA-N	219.260	-0.573	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)CC(=O)NN	1932313918	RMZGEGIQVCPWDI-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@@H]2C1=O)C(=O)NN	1935422453	IODKUEPIHQIVLI-PRJMDXOYSA-N	211.265	-0.519	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C(C)(C)CCO	1936081212	LIKBFGMUAYAPMO-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2[C@@H](C1)C2(F)F	1936534320	OOMCVRVSESVICT-RNFRBKRXSA-N	235.234	-0.810	50	10	BBGE	
O=C(C[C@@H]1CN2CCC1CC2)NNCCO	1938340404	CRFGFMHIWSUYQB-SNVBAGLBSA-N	227.308	-0.669	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC(=O)O1	1940622511	ZIZJHYPQYOHDIS-DXJNRASMSA-N	237.255	-0.205	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)C[C@@H]1O	1944569753	NIPROKOAHVCQQO-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1CC1(C(=O)NN)CC1	1945882475	INELGSRXLLAYBL-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@H]1CC[C@@H](C(=O)NN)O1)C2	1947113400	VQJYBCBWSDQTEF-MIZYBKAJSA-N	239.319	-0.134	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12COC[C@@H]1C2	1951321768	FZJKKMKDFJLJFK-NRPADANISA-N	225.053	-0.902	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H](C)CS(N)(=O)=O	1955567984	GFINOHJDNDKKHG-PHDIDXHHSA-N	242.728	-0.203	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@H](O)C[C@@H]1O	1956249798	ZWFLLPIMWFJLIT-XVMARJQXSA-N	243.712	-0.971	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)CC(F)(F)C(=O)NN	1957007582	VVRZYVMQRMEXNN-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
COC[C@]12C[C@H]1CN(CCC(=O)NN)C2	1960278466	LBOIBVAKGFTFOD-WCBMZHEXSA-N	213.281	-0.665	50	10	BBGE	
CCN(OC)c1cc(C)c(B(O)O)cn1	1961718530	PSVDMODUVMKQEI-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
OB(O)c1csc(N2C[C@H](F)[C@@H](F)C2)n1	1961719107	YKUKPNHOIBECKY-WHFBIAKZSA-N	234.036	-0.681	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](O)C[C@H](F)C1	1965809055	URRZMBAAWSBPEF-WDSKDSINSA-N	231.676	-0.083	50	10	BBGE	
Cn1nnnc1CCNC(=O)CCCCl	1974681341	LZHAUWKNTULLPI-UHFFFAOYSA-N	231.687	-0.112	50	10	BBGE	
CN(CCCO)CCC(F)(F)C(=O)NN	1975103326	HDHLMOREHJRAPP-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
COC[C@@]1(C)CCN1CCOCC(=O)NN	1982943702	FXKUKZVETNPGDB-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
CO[C@@H](C)CCN(C)CCOCC(=O)NN	1984687722	NXMCGXMVEPCGIK-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2COC[C@H]21	1987063338	YYEHFBRKXMIZJP-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
C#CCOCC(=O)N1CCC(O)(C#N)CC1	1987400695	LORMJAXFRPBKQU-UHFFFAOYSA-N	222.244	-0.487	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C[C@H]3C[C@@H]3Cl)C2)N1	1991438479	MILRRSPNUVQRFR-DTLFHODZSA-N	243.694	-0.247	50	10	BBGE	
C=C(CN(CC)[C@H](C)CS(C)(=O)=O)B(O)O	1992146482	UHAHVGYTDQHYCY-SECBINFHSA-N	249.141	-0.690	50	10	BBGE	
CC(C)(CSCCOC1CNC1)C(=O)NN	1993410762	KQSUPEFHNHELKR-UHFFFAOYSA-N	247.364	-0.276	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1(CCO)CCC1	1994893279	UOYXZRZNQGJXCA-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)OCC1(C)C)C(=O)NN	2002291061	RMWCTIBBELBULU-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCCCN1CC(=O)N[C@H]2CC[C@@H]21	2002915440	RYERGSIOWBLIPJ-IUCAKERBSA-N	240.307	-0.891	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CN(C)c1ncc(B(O)O)cn1	2004916513	MFKOUAFDHUIIIK-MBTKJCJQSA-N	235.096	-0.505	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@@H](C)C2)ncc1B(O)O	2004974081	FMYRRSRZCMAFBS-OCAPTIKFSA-N	235.096	-0.443	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2C(C)C)n1	2005017704	JHCLNAGDSJMCOD-JTQLQIEISA-N	235.096	-0.300	50	10	BBGE	
C[C@]1(Cn2cccc(B(O)O)c2=O)CCCO1	2008844948	VASRDNRSLSCJDE-LLVKDONJSA-N	237.064	-0.903	50	10	BBGE	
C[C@@H](C(F)F)N(C)c1ncc(B(O)O)cc1F	2009012512	NUNLOSDKMWPVLY-YFKPBYRVSA-N	248.013	-0.010	50	10	BBGE	
O=C(NCC=CB(O)O)C1CC2(CCOC2)C1	2020067742	KLYSMNFOAVXDSB-UHFFFAOYSA-N	239.080	-0.513	50	10	BBGE	
C[C@H](NC(=O)c1ccccc1B(O)O)C1CC1	2022196042	FVNADPCLZBAQKO-QMMMGPOBSA-N	233.076	-0.105	50	10	BBGE	
Cc1nc(N2CCCC23CCC3)ncc1B(O)O	2052553421	HKCJNGZIVAHVBP-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
NNC(=O)c1coc(Cn2ccc(O)cc2=O)c1	2054654249	FCSOYXUNSVOLIV-UHFFFAOYSA-N	249.226	-0.201	50	10	BBGE	
CCOc1ccc(B(O)O)c(OC)c1[N+](=O)[O-]	2060017082	NORQWYMGCMEITH-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
N#Cc1ccc(B(O)O)c(Cl)c1[N+](=O)[O-]	2060111225	LCBQIZNIKKNGBH-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2c1ncccc1B(O)O	2067371964	UXJCKJGMWHDLPG-VHSXEESVSA-N	247.107	-0.956	50	10	BBGE	
NCCSCC1(C(=O)NN)CCC1	2209363595	NQJZKZIBSUOWJV-UHFFFAOYSA-N	203.311	-0.162	50	10	BBGE	
CC[C@@H](CO)CNc1cc(B(O)O)ccn1	2212602718	IVBRXOCDGWUPTD-MRVPVSSYSA-N	224.069	-0.808	50	10	BBGE	
C=CC[C@H](N)COc1ccc(B(O)O)cn1	2212607078	FRCWUBRWROXMMG-VIFPVBQESA-N	222.053	-0.956	50	10	BBGE	
O=c1ncc(B(O)O)cn1C1CC2(CC2)C1	2212716553	DROMPFZGSUVUIV-UHFFFAOYSA-N	220.037	-0.962	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCc1cnn(C)c1	2213539328	QSLIGYSZSLSDOE-VIFPVBQESA-N	239.323	-0.337	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@H]2CC[C@H]1O2	2215206448	GFUFZMKYZUJOEZ-OPRDCNLKSA-N	241.291	-0.595	50	10	BBGE	
CCN1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1=O	2215774039	CMNVPSWRPDPSSW-BDAKNGLRSA-N	240.307	-0.240	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@H](O)C2)CCCC1	2216871214	GMVWOPGTJDZHFD-JTQLQIEISA-N	239.319	-0.231	50	10	BBGE	
Cc1c[nH]c(=NC[C@@H](C)C2CC2)cc1B(O)O	2217183995	PINKTJKILUGRJZ-MRVPVSSYSA-N	234.108	-0.050	50	10	BBGE	
CC(C)C1CN(c2nccc(B(O)O)c2F)C1	2217184984	XKIUDCFYHKDMJF-UHFFFAOYSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cccc(CN2CCN[C@H]3CC[C@H]32)c1	2220061586	CIYQFNKIRJCNAY-QWHCGFSZSA-N	246.119	-0.697	50	10	BBGE	
OB(O)c1cccnc1NC[C@]12CCOC[C@H]1C2	2223626713	JBZCELCNKPRRGQ-BXKDBHETSA-N	248.091	-0.400	50	10	BBGE	
CCN(C)C1CN(c2cc(B(O)O)c(C)cn2)C1	2223648533	MIUOPCXLKBFUCU-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccc(OC2([C@@H]3CCNC3)CC2)nc1	2223654078	LWZCKXDHFFPIEO-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cn(C)cn1	2223671633	OXYZUKGKFSKHFJ-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(N[C@@]23CCC[C@@H](C2)OC3)nc1	2223673888	MGSSSOFQBQTHSL-JQWIXIFHSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]3CC[C@H]2N3)c1	2223675774	UBLFKGWKBGNNKN-JMJZKYOTSA-N	247.107	-0.686	50	10	BBGE	
O=S(=O)(N[C@@H]1CC[C@@H]1O)N1CC(Cl)C1	2241348557	SUUIHDVJFOJHML-RQJHMYQMSA-N	240.712	-0.733	50	10	BBGE	
CON(C)C(=O)c1ccsc1B(O)O	2241467806	BFVJGRAPEHRAOU-UHFFFAOYSA-N	215.039	-0.939	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CN1	2243364564	ZAPPQDBXNDGXSB-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCCc1cscn1)[C@H]1C[C@@H]1B(O)O	2243396644	OXINELUODUMQCV-YUMQZZPRSA-N	240.093	-0.335	50	10	BBGE	
CN(CCNC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243404524	PPZQJRUBSWIUTM-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)C1CC1	2243408999	ZFQNWOSQTPNVHS-UHFFFAOYSA-N	223.037	-0.498	50	10	BBGE	
C=C(Cl)CNC(=O)c1ccncc1B(O)O	2243410143	VZONYEBGWBMFFL-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2243411347	RTSCCWHZXRZFFM-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@]12C=C[C@@H](CC1)C2	2243677799	ACGUKNDUZGTPJP-ONGXEEELSA-N	219.049	-0.526	50	10	BBGE	
C[C@H]1CCCC[C@@]1(O)CNC(=O)C#CB(O)O	2247738641	TXPWNKYNKCCGAL-GXSJLCMTSA-N	239.080	-0.941	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1ccc(B(O)O)o1	2247739800	BNVZFPSOWWTQLD-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCOC12CCCC2	2247747793	SIXHGVXUKFFBSE-SECBINFHSA-N	237.064	-0.780	50	10	BBGE	
N=c1ccc(NC(=O)C2(B(O)O)CCC2)c[nH]1	2247757992	TWLGUELMYFHSJM-UHFFFAOYSA-N	235.052	-0.170	50	10	BBGE	
C/C=C/CCCNC(=O)c1cc(B(O)O)n[nH]1	2247786152	WQSGYTZNUKNSTP-NSCUHMNNSA-N	237.068	-0.824	50	10	BBGE	
CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247805701	KQQXPTWGINLKBO-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
NCc1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2247806932	PAGMWCOKDVFKPS-UWVGGRQHSA-N	234.064	-0.053	50	10	BBGE	
C[C@H](N)C1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247810648	ZADFPINRJDJGFK-UJNFCWOMSA-N	240.112	-0.565	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CO[C@H](C2CC2)C1	2247850026	IVONNOXNYCKGBP-ZJUUUORDSA-N	237.064	-0.972	50	10	BBGE	
COC1(CN(C)C(=O)C#CB(O)O)CCCC1	2247850788	SYPMATPVFZTOLD-UHFFFAOYSA-N	239.080	-0.581	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@@H]2CO1)C1(B(O)O)CC1	2247853065	FXTCRLKFVZANGW-HLTSFMKQSA-N	239.080	-0.465	50	10	BBGE	
O=C(N1CCOC[C@@H]1C1CC1)C1(B(O)O)CC1	2247877595	BYACMUKPEMDNOI-SECBINFHSA-N	239.080	-0.369	50	10	BBGE	
COCC1CC(NC(=O)C2CC(B(O)O)C2)C1	2247891933	QQFYTITZUJAWIC-UHFFFAOYSA-N	241.096	-0.219	50	10	BBGE	
CC1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247899705	PNHJKIJDRDQVCY-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1CCNC12CC2)[C@H]1C[C@@H](B(O)O)C1	2247902289	DSQSYINFNCLNAB-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)CC(=O)O	2248586259	YCPBZQAJICNLIR-KKMMWDRVSA-N	243.068	-0.534	50	10	BBGE	
Cc1cc(N(C)CC2COC2)ncc1B(O)O	2248987548	RDRBSSJWZVZPCX-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1cocc1B(O)O	2249408142	DWZSJJZAIJICNM-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccncc1B(O)O	2255457668	HIHUHFXCQLAGRL-BRPSZJMVSA-N	246.075	-0.710	50	10	BBGE	
C=CCCN(C)C(=O)c1nc(C)ccc1B(O)O	2255486759	FQJLKMKBRHKPCQ-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCC1=O	2255510454	WUSWNRCXWKBEEL-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255520600	MJOBFMVFHPRBKP-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
C=CCC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2255522025	DPJDCMHIMRXDLA-UHFFFAOYSA-N	248.091	-0.154	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255524881	ZAGPFZQSBWAFLB-SECBINFHSA-N	246.075	-0.591	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1cncc(B(O)O)c1	2255714928	YAKNSVKXVYEMNK-NSHDSACASA-N	246.075	-0.400	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1	2255719852	JCPBOGILHFDPFW-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1cccc(F)c1B(O)O	2255725042	UBSKUPIESXESRF-MRVPVSSYSA-N	249.050	-0.495	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@H]2C)c1	2255739161	FVBRIZIWAGILSK-HQJQHLMTSA-N	249.075	-0.487	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@H]2C[C@H]2C1	2257495409	XYEAWKKQGICROO-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2298370316	VOJFPOIPSMRQGL-KYXWUPHJSA-N	239.080	-0.513	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@@H]1CN	2298370323	VRFVOZASWJOWBD-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCCC[C@H]12)[C@H]1C[C@H]1B(O)O	2298377298	LXQUNPTXSODSLM-KGDYZURWSA-N	239.080	-0.467	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCn1ncccc1=O	2300383392	LPPNFSXDJKWZSH-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
N#CCCC1CN(c2cc(B(O)O)ccn2)C1	2300535578	RNNBWYPTQWRCAB-UHFFFAOYSA-N	231.064	-0.499	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)C1(N)CC1	2303859119	SQUQXKFYWZSABR-LURJTMIESA-N	240.043	-0.841	50	10	BBGE	
O=C1C[C@](C(=O)O)([C@H](Cl)C(=O)O)O1	13740340	KHOAAJFHOVXXID-AWFVSMACSA-N	208.553	-0.551	50	10	BBGE	
CC(=O)N1CCN(CC(=O)Cl)CC1	32021176	YAQHSLBEICNQMT-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
COCC(=O)N1CCN(C(=O)[C@@H](C)Cl)CC1	37831953	WJXJDNVFMZPSQE-MRVPVSSYSA-N	248.710	-0.069	50	10	BBGE	
Cn1ccn(CCBr)c(=O)c1=O	61796829	OJLOGUYLBLJVKF-UHFFFAOYSA-N	233.065	-0.058	50	10	BBGE	
CC[C@H](C(=O)NN)n1ccc(C(=O)NC)n1	70327633	AYDDPCCUJHZKEX-SSDOTTSWSA-N	225.252	-0.816	50	10	BBGE	
CC(C)OCCN(C)[C@H](C)C(=O)NN	87980012	WQHVWQNSSPFZDE-MRVPVSSYSA-N	203.286	-0.278	50	10	BBGE	
Cn1ncnc1SCCCC(=O)NN	128061443	BHIOCJGTVSGGPR-UHFFFAOYSA-N	215.282	-0.323	50	10	BBGE	
CCOC(=O)NNC(=O)NCC(=O)OC	165071612	QGNHCSHPAYTZIL-UHFFFAOYSA-N	219.197	-0.880	50	10	BBGE	
CN(C)Cc1cccc(CN(C)C)c1B(O)O	196551627	DAKUDWQOAVXJES-UHFFFAOYSA-N	236.124	-0.510	50	10	BBGE	
N[C@H]1[C@@H](Br)[C@H](C(=O)O)C[C@H]1O	200458802	NAMUYDLTJMUKFY-SQOUGZDYSA-N	224.054	-0.457	50	10	BBGE	
CCN(CC)C(=O)c1ccc(B(O)O)s1	204313243	QFOUXXOAGJPRSE-UHFFFAOYSA-N	227.094	-0.090	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N1CCCC1	206291700	XCWCFXDWKZCWSZ-UHFFFAOYSA-N	234.064	-0.006	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1N(C)C	227251183	HRQCVCUSVGPRSX-IWSPIJDZSA-N	214.313	-0.753	50	10	BBGE	
O=C1OCC[C@H]1NS(=O)(=O)CCl	236034604	AXTPYDSCVKPRBK-SCSAIBSYSA-N	213.642	-0.582	50	10	BBGE	
O=S(=O)(CCCl)N1CC(CO)C1	236484681	JPVQIWQWUMEOLI-UHFFFAOYSA-N	213.686	-0.521	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@H](N)CC(=O)O	238182934	JAXWZVYQIOLHSJ-YFKPBYRVSA-N	247.251	-0.656	50	10	BBGE	
OB(O)c1ccnc(-c2cncnc2)c1	238651819	MDFDWJRYAMQIFU-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
COC(=O)[C@H](O)[C@H](Br)CO	238802152	REJWWCGHPGKPCK-QWWZWVQMSA-N	213.027	-0.724	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)[C@@H](CO)C1	316946880	AZUPDFUUUNJTBA-BWZBUEFSSA-N	221.684	-0.327	50	10	BBGE	
Nc1cc(OC(F)(F)F)c(B(O)O)cc1F	321778001	YSSLYTQKGBLOQR-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1c1nncn1C	380217656	VKXPULXNNZRQCG-SFYZADRCSA-N	238.295	-0.670	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H]1CN2CCC1CC2	383348905	ZLYRWEKZDPCDQE-LLVKDONJSA-N	240.351	-0.218	50	10	BBGE	
O=C/C(C(=O)O)=C1\C=CN[C@H](C(=O)O)C1	383983648	ZAFDJTOJJDHSHQ-RBSILHGTSA-N	211.173	-0.473	50	10	BBGE	
COC(=O)c1cc2ccc(B(O)O)cc2[nH]1	390057886	PUDWHZIFACGQNA-UHFFFAOYSA-N	219.005	-0.366	50	10	BBGE	
CNC(=O)CN=c1[nH]c([C@@H](C)Cl)nc(=N)[nH]1	390469143	BJXYFFZBMHEZFR-SCSAIBSYSA-N	244.686	-0.836	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)CCCCl)C[C@@H]12	395300412	UDYSHKMPIJKCIC-RNFRBKRXSA-N	244.678	-0.264	50	10	BBGE	
CCOC(=O)c1ccc(CCC#N)cc1B(O)O	396141033	YNETVCZOKQJSFY-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
COC(=O)CCc1cccc(B(O)O)c1C	396144304	SUSKGTRSVGORHM-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1O	399921452	PSKHRFXWAGKLJJ-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	404980869	ILWUMFIKIOMULT-BXKDBHETSA-N	247.103	-0.019	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1cc[nH]n1	405029484	MDLCOPGCWFSSGY-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)C1CCC1	405042804	ZADTYDGOWJDASQ-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
CC1(C)OB(c2ccc(B(O)O)cc2)OC1(C)C	642772175	XALNPCVHUFACQK-UHFFFAOYSA-N	247.896	-0.334	50	10	BBGE	
COCC[C@H](C)n1nc(C)c(B(O)O)c1C	694306660	CVYMPSYXGCUGKE-ZETCQYMHSA-N	226.085	-0.223	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@@H]1CCO	694920682	MDWIPPZDVJLRLM-GUBZILKMSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CCCl)NC(=O)c1nnn(C)n1	697203059	BVKWXXDLKPNYBL-RXMQYKEDSA-N	217.660	-0.043	50	10	BBGE	
OC[C@H]1C[C@H](O)CN1c1nnc(CCl)o1	698135415	LAROELVLZYXLOS-RITPCOANSA-N	233.655	-0.260	50	10	BBGE	
CO[C@H](CN(C)C[C@H](C)C(=O)NN)C1CC1	701421866	OYNYHGBCKWQWCJ-WCBMZHEXSA-N	229.324	-0.031	50	10	BBGE	
CC(C)O[C@@H]1CCN([C@@H](C)C(=O)NN)C1	701686928	ZFPRLZJLVHQWMC-DTWKUNHWSA-N	215.297	-0.136	50	10	BBGE	
CN1CCC[C@@H](NC(=O)NC(=O)CCl)C1=O	704344936	LXCUBTCKEXLUGF-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCC[C@H]1O	708514837	WLIMRRWXCTZFQL-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C[C@H](C)O)C1CC1	709378187	POIIAZSNCCUXAH-WCBMZHEXSA-N	229.324	-0.154	50	10	BBGE	
CN(C)C(=O)N1CCc2ccc(B(O)O)cc21	712959144	OSULHYWLNVZPJD-UHFFFAOYSA-N	234.064	-0.590	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ccn(C)n1	723525130	XCFNOSAAXPAIJX-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
CN(C)N[C@@H]1C=C(C#N)SC1=[N+]([O-])O	725648963	XGWWONOIEACDKE-ZCFIWIBFSA-N	214.250	-0.127	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)C(C)C)[C@@H]1CCOC1	854214439	YGKNJEGQZMDMCI-RKDXNWHRSA-N	244.291	-0.159	50	10	BBGE	
COC[C@@](C)(O)C(=O)NN=c1cc[nH]cc1C	862502405	LHGOVNUZCMMZMA-LLVKDONJSA-N	239.275	-0.348	50	10	BBGE	
CCCNC(=O)NNC(=O)[C@H]1CCC(=O)O1	865023801	NZDKURBNCDCVSL-ZCFIWIBFSA-N	229.236	-0.568	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)C2(CC2)C1	1117802891	ASHFNXPRFYCEMZ-LURJTMIESA-N	225.697	-0.031	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cnc(C)o1	1119594548	YKPGTQIAWOXYEO-UHFFFAOYSA-N	212.209	-0.514	50	10	BBGE	
Cn1ccnc(NNC(=O)[C@H]2C[C@H]2F)c1=O	1160934605	OIHRDUQEYMUUHM-NTSWFWBYSA-N	226.211	-0.419	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)c1ccnnc1	1570427727	JVVJUNALVWUNEC-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNC(=O)C1CC1	1618145921	XAARWGGKBAEGTQ-AATRIKPKSA-N	225.248	-0.812	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cc(C(N)=O)c[nH]1	1627565105	BUNUOGGLSRUFQY-ZCFIWIBFSA-N	240.263	-0.929	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(CC)CCO	1643678520	WLHCHOAOWDTBNM-UHFFFAOYSA-N	244.291	-0.159	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C(=O)CBr	1880043562	DMXSRQMWYKFOLV-UHNVWZDZSA-N	208.055	-0.027	50	10	BBGE	
O=C(CCCl)NC[C@H]1CCNC1=O	1883495143	YCRAKOCVZQADCU-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
CNCCS(=O)(=O)NC[C@H]1C[C@H]1Cl	1883568594	XATLNBWMNJAVTL-RNFRBKRXSA-N	226.729	-0.248	50	10	BBGE	
Cn1nncc1C1(OC(=O)F)CNC1	1887173307	KMOYTXOUWWRHJQ-UHFFFAOYSA-N	200.173	-0.280	50	10	BBGE	
C[C@H](O)CCN1CC[C@@](C)(B(O)O)C1	1891490763	FWKOYYDNIKCNBO-DTWKUNHWSA-N	201.075	-0.304	50	10	BBGE	
N=c1[nH]nc(C(=O)NC[C@H]2C[C@H]2Cl)[nH]1	1893106369	FLAJXKSULDKMCD-QWWZWVQMSA-N	215.644	-0.426	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@@H](F)C1	1894627077	YCINPQJROHJVGC-BQBZGAKWSA-N	233.243	-0.083	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccc(O)cc1=O	1895326061	HGAVNBNKFLYZQH-POYBYMJQSA-N	223.232	-0.820	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1cnsc1B(O)O	1900451587	NQRZJXGBPIONDV-FSPLSTOPSA-N	240.093	-0.649	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CC(O)C[C@@H](C2)C1	1901047132	DKEZXUMZVMCYPG-DJLDLDEBSA-N	227.308	-0.542	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCCCN1)S(C)(=O)=O	1901373938	QWBRGEWKLFGPNV-SECBINFHSA-N	249.336	-0.559	50	10	BBGE	
CC(C)[C@H](CO)N(C)[C@H](C)[C@H](C)C(=O)NN	1902088553	VACFTDIJFIXYKP-AEJSXWLSSA-N	231.340	-0.050	50	10	BBGE	
C[C@@H](CO)CSc1cc(B(O)O)c(F)cn1	1903008910	CDGSABUMFGFXEW-LURJTMIESA-N	245.084	-0.379	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C(C)C	1903343529	RSZIKROGLXYRCD-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
N#CC1=CCN([C@](CN)(CF)C(=O)O)CC1	1904112108	OBOCNTVNLZNVDW-JTQLQIEISA-N	227.239	-0.106	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(COC(=O)N2)C1	1904740372	CMXXBPUDAXUCQL-UHFFFAOYSA-N	244.634	-0.371	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CCCCO2)O1	1909808215	LMWJANCDRSKLLO-UWVGGRQHSA-N	243.307	-0.059	50	10	BBGE	
CS(=O)(=O)c1ccsc1[C@H](N)B(O)O	1912408209	QQTDRXMSQGVOHU-LURJTMIESA-N	235.095	-0.837	50	10	BBGE	
COC[C@H]1CC[C@H](N(C)C(=O)C(=O)NN)C1	1918717254	IPYJRTHROPKFOZ-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
CC(=O)OCCC(=O)NNC(=O)C(F)(F)F	1923442749	FMPRNZKJLITWOL-UHFFFAOYSA-N	242.153	-0.351	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@H]2C1	1927817272	ZWNWEUIZJUOSCA-BQBZGAKWSA-N	219.235	-0.047	50	10	BBGE	
O=C(CCCl)N1CCOC[C@@H]1[C@H](O)CO	1928573815	OLRZFCBPWUJDKS-HTQZYQBOSA-N	237.683	-0.804	50	10	BBGE	
CCC[C@]1(O)CCN([C@H](C)C(=O)NN)C1	1930885217	GZKBCMNUEBVPQH-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
CC1(C)CC(S(=O)(=O)NCB(O)O)C1	1933182754	OIPIZZPPZIVTAR-UHFFFAOYSA-N	221.087	-0.894	50	10	BBGE	
Cn1c(=O)n(C)n(CC=CCCl)c1=O	1934712354	ADJVCMDBTGEXIJ-UHFFFAOYSA-N	217.656	-0.320	50	10	BBGE	
CCn1nnnc1SC[C@H]1C[C@@H]1C(=O)NN	1936094740	PNTPQMHRHORHKU-RITPCOANSA-N	242.308	-0.589	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094767	PUFBHKMMSPSRJM-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
O=C1CN(CC23CC(CCO2)C3)CC(=O)O1	1939079587	MIFYVDGEINZOMF-UHFFFAOYSA-N	225.244	-0.059	50	10	BBGE	
Cn1cccc(OCCCC(=O)NN)c1=O	1939776978	UTEZCXBIBGWIOR-UHFFFAOYSA-N	225.248	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COC[C@H]2C1	1941089912	MFPYCWOWXGBTNT-GWOFURMSSA-N	239.319	-0.419	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1949697279	NENXQDBOLCCNHL-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1950222636	GZKIEKRWHNCEOE-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
C[S@](=O)CC1CN(S(=O)(=O)CCl)C1	1953817945	NFIAPAKBJJCQOE-LBPRGKRZSA-N	245.753	-0.177	50	10	BBGE	
CC(C)OC[C@@H]1CCCN1CC(=O)NN	1958305395	HGBAIRQARKDQIV-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CNC(=O)NN(C)C)[C@@H](F)C(=O)O	1959186136	PEPQVNQHKZKQJG-NTSWFWBYSA-N	221.232	-0.179	50	10	BBGE	
C[C@H](CN1CC=C(CO)CC1)C(=O)NN	1961389656	HGWLDNVTPPQPQT-MRVPVSSYSA-N	213.281	-0.763	50	10	BBGE	
Cc1nc(OCC(F)F)ccc1B(O)O	1961696250	OIFPTDCTAOLQNJ-UHFFFAOYSA-N	216.980	-0.286	50	10	BBGE	
CON(CC(C)C)c1nc(B(O)O)cs1	1961717583	CNNWEDVEVFZUNH-UHFFFAOYSA-N	230.098	-0.153	50	10	BBGE	
Cc1cnc(N2CCCO2)c(B(O)O)c1	1961718485	PJWNMNMJFJNWHM-UHFFFAOYSA-N	208.026	-0.788	50	10	BBGE	
OB(O)c1cccnc1Sc1ncns1	1961724890	VEPRKHRDOPAXIG-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCOC[C@@H]1C(N)=O	1962376748	NHAWJMWOVVTNLO-RNFRBKRXSA-N	234.683	-0.284	50	10	BBGE	
O=C1CN(C[C@H]2OCC[C@H]2F)CC(=O)O1	1975256849	NROBSBHZABYBCF-RNFRBKRXSA-N	217.196	-0.501	50	10	BBGE	
NNC(=O)CCN1CCC[C@]12CC[S@](=O)C2	1975996792	ZVMMJKUFWKTUDF-HWPZZCPQSA-N	245.348	-0.647	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC([C@@H](F)CO)C1	1979549158	WHYXDALKOWGCPN-IUCAKERBSA-N	233.287	-0.593	50	10	BBGE	
CCn1ncnc1CNC(=O)NC(=O)CCl	1980033533	WXXOCCBLGHYIPG-UHFFFAOYSA-N	245.670	-0.137	50	10	BBGE	
NNC(=O)CN1CC2(CCOCC2)CC1=O	1980812295	UBQDECQCGWNYDW-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1[C@@H]2[C@@H]1CCC2(F)F	1980940434	QSFKKQKDROYKJC-PBXRRBTRSA-N	233.218	-0.616	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	1981413887	LRTZBPPXRCEQCN-KCJUWKMLSA-N	218.065	-0.392	50	10	BBGE	
OB(O)c1ccc(N2CCCSCC2)nc1	1981414308	QCZLOKAVASOKCG-UHFFFAOYSA-N	238.121	-0.295	50	10	BBGE	
C[C@@H]1CC[C@@H](Oc2ncc(B(O)O)cn2)C1	1981419825	BFIKHXCFFNCGCN-VXNVDRBHSA-N	222.053	-0.276	50	10	BBGE	
CC[C@@H](C)N(C)c1ncnc(C)c1B(O)O	1981445827	ORJDWDJLIOAYLP-SSDOTTSWSA-N	223.085	-0.300	50	10	BBGE	
O=C(CCCl)NC(=O)NCc1nc(=O)o[nH]1	1981483779	WITYOHIDELPOPV-UHFFFAOYSA-N	248.626	-0.682	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(F)C2)cn1	1983345600	YLSOTAZALFLAGQ-UHFFFAOYSA-N	224.239	-0.161	50	10	BBGE	
C[C@@H](CCOc1nc(B(O)O)cs1)N(C)C	1983693597	JDSVVKBGEMKXSF-ZETCQYMHSA-N	244.125	-0.458	50	10	BBGE	
C[C@H]1CN(CCC(F)(F)C(=O)NN)C(=O)O1	1984121712	IHLBDXBSUQWXDN-YFKPBYRVSA-N	237.206	-0.158	50	10	BBGE	
CN(CCC(=O)NN)CC12CC(CCO1)C2	1984460185	NALJQNKLSZBSQA-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSC[C@@H](O)CO)C1	1985357061	LQUUPVZWBZENBF-HLTSFMKQSA-N	248.348	-0.521	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC=C[C@@H]1CO	1985649195	TYGHYTKQVHNPSV-LPEHRKFASA-N	227.308	-0.376	50	10	BBGE	
CCC[C@@H]1C[C@H](NC(=O)C(=O)NN)CCO1	1985956444	VUQXJWBJKJFKKM-HTQZYQBOSA-N	229.280	-0.560	50	10	BBGE	
C[C@H](CN1C[C@H]2CC(O)C[C@@H]2C1)C(=O)NN	1986733160	ZOVQEQHICKDZIC-IWSPIJDZSA-N	227.308	-0.685	50	10	BBGE	
C[C@]12CO[C@](CN3CC(=O)OC(=O)C3)(C1)C2	1990328287	NAUSBBBCZVREDJ-PHIMTYICSA-N	225.244	-0.059	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@H]1CSC2	1990774906	OUPAOFQCWXRYSV-IUCAKERBSA-N	243.332	-0.267	50	10	BBGE	
CC(=O)NNC(=O)CN1CCN[C@H](C)C[C@H]1C	2000483628	AKVZMAMFDJTDNE-RKDXNWHRSA-N	242.323	-0.774	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2CCCC[C@H]21	2004917074	UHVKFQXXTHGUSO-WCBMZHEXSA-N	233.080	-0.465	50	10	BBGE	
CCC1(N(C)c2ncnc(C)c2B(O)O)CC1	2004974928	RBJRCPBOQFHPMU-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1COC(C)(C)CO1	2007706314	CHCGLJJTNGNSDY-DTWKUNHWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)COCCN1CCC2(CC1)COC2	2008333982	NEGNWLSTKJRBDV-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@H]1CC1(F)F	2008839920	DUCDUOANUCQKIA-ZETCQYMHSA-N	243.018	-0.427	50	10	BBGE	
CN1CCCC12CN(CC1(C(=O)NN)CC1)C2	2013599761	GQKKXISLNKLKEA-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013924828	GGAMWWNVHJUOAQ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](C)CCn1cc(B(O)O)ccc1=O	2014201926	FENMNOWYORHPLW-SECBINFHSA-N	239.080	-0.799	50	10	BBGE	
CO[C@H]1C[C@H]1COc1ccc(F)c(B(O)O)c1	2014594301	NQEUMEDUCXYYNJ-CPCISQLKSA-N	240.039	-0.081	50	10	BBGE	
O=C(C[C@@H]1CCC[C@H]2C[C@@H]12)NCC#CB(O)O	2021110132	PBYRGAUCRAWHEF-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H]1C[C@H]1COc1nc(C)ncc1B(O)O	2022577869	ACFGZNRETVAIPQ-IUCAKERBSA-N	236.080	-0.110	50	10	BBGE	
Cc1ncc(C(=O)Nc2ccc(B(O)O)cc2)o1	2031813361	GDAUSCSEMADZDO-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
COC1(C(=O)Nc2ccc(C)c(B(O)O)c2)CC1	2047744538	CPBCWGOVSFFBBJ-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2[C@@H](C)[C@H]2C)ncc1B(O)O	2052559960	QYMDNDDARPROON-MBTKJCJQSA-N	249.123	-0.197	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(B(O)O)c1	2053736883	UUZODIDJGCLNKU-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
O=c1ccc(B(O)O)cn1Cc1ncccc1F	2058154607	GBBBQUUUVGWOAM-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2COC[C@H]21	2077844202	MCAZZHVQKAFGHX-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ccccc1B(O)O	2079008326	IARAKTQYMQDHRJ-SNVBAGLBSA-N	245.087	-0.102	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079012754	ZCGYJAJAYQOXQA-JTQLQIEISA-N	243.071	-0.538	50	10	BBGE	
O=C(CCl)NC(=O)N=c1nco[nH]1	2209400653	YANPKYSAGANHJM-UHFFFAOYSA-N	204.573	-0.622	50	10	BBGE	
CCN(C)S(=O)(=O)N1CCOC[C@H]1N=C=O	2211594961	PTMCMORPOKNUNM-QMMMGPOBSA-N	249.292	-0.823	50	10	BBGE	
CC(C)(N)CCOc1cc(B(O)O)ccn1	2212608885	XGRIXJXULYGWMT-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1[C@H]2CC[C@H]1COC2	2215772046	LOZXHCZKWIXBGP-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(Cn2cnc([N+](=O)[O-])c2)CCC1	2216529601	FITLNOICUOWBMC-UHFFFAOYSA-N	239.235	-0.049	50	10	BBGE	
C#CCN=c1ccc(B(O)O)c(C(F)(F)F)[nH]1	2217179932	OZAANJOVUHZFCP-UHFFFAOYSA-N	243.981	-0.753	50	10	BBGE	
Cc1c[nH]c(=NCCCCCO)cc1B(O)O	2217182216	APXZAISQTKPPGM-UHFFFAOYSA-N	238.096	-0.934	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC[C@H]2F)c1F	2217182586	FLHFIXGNWMBZOT-RQJHMYQMSA-N	244.006	-0.951	50	10	BBGE	
NCC1(COc2ccc(B(O)O)cn2)CCC1	2217184475	PDWIUOQEOOEDFE-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
C[C@]12CC[C@H](Nc3ncc(B(O)O)cn3)[C@@H]1C2	2217205198	VKCNXTDKBQTHND-ATZCPNFKSA-N	233.080	-0.243	50	10	BBGE	
CN(Cc1cncnc1)C[C@@H]1CC[C@H]1C(=O)NN	2221565235	BRHARBJRTLKXSP-WDEREUQCSA-N	249.318	-0.076	50	10	BBGE	
O=C(CCl)N1C[C@H]2OCC[C@]2(CO)C1	2242594671	UIOLTIRGEIGNAX-VXNVDRBHSA-N	219.668	-0.165	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC2(CC(F)C2)C1	2243033197	FLNQXBXRJDPHDJ-UHFFFAOYSA-N	229.255	-0.285	50	10	BBGE	
CCN(C(=O)C#CB(O)O)c1ccncc1	2243356543	JEIRWPQTZBSLDN-UHFFFAOYSA-N	218.021	-0.550	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COC[C@@H]21	2243381473	GJSKHPHNUUVRAR-MAUMQABQSA-N	225.053	-0.903	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC(O)CC1	2243390855	CEFTVMQXTKGBLV-ZKCHVHJHSA-N	227.069	-0.777	50	10	BBGE	
NCC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243391019	FJLMUTJPBIZAEC-IUCAKERBSA-N	226.085	-0.953	50	10	BBGE	
N[C@H](CNC(=O)C1(B(O)O)CCC1)C1CC1	2243398383	QANZNTUDYRRNNT-MRVPVSSYSA-N	226.085	-0.763	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccc(B(O)O)s1	2243404440	OCHZDSAQFFVAFI-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
C[C@@](O)(CNC(=O)C1(B(O)O)CC1)C(F)F	2243411504	VADJTKJFBTVHPU-SSDOTTSWSA-N	237.011	-0.874	50	10	BBGE	
C=C(CS(=O)(=O)N(C)CC(C)(C)C)B(O)O	2243412863	VJKWNGGLQQMPJT-UHFFFAOYSA-N	249.141	-0.138	50	10	BBGE	
CC(C)N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414538	CQQFQLGIAHGDQW-DTORHVGOSA-N	229.085	-0.531	50	10	BBGE	
CC[C@H](COC)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243427411	VCQRICABUWSANV-VGMNWLOBSA-N	229.085	-0.267	50	10	BBGE	
C=CC1CN(C(=O)c2sncc2B(O)O)C1	2245436242	PMJDYQOPBBBJIF-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
O=C(Nc1ncco1)c1csc(B(O)O)c1	2245939881	JQVFMJASVHAPOQ-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1c[nH]nc1B(O)O	2247785911	SKDBDKACPBLHBQ-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1nc[nH]n1	2247788038	YHZZRFBOEAHWJH-LYFYHCNISA-N	238.056	-0.765	50	10	BBGE	
CN(CC1CCOCC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247799266	BINZPWLLVQYZGV-UWVGGRQHSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC1CC2(COC2)C1)C1CC(B(O)O)C1	2247800324	NTTUJXXRKGSRDO-UHFFFAOYSA-N	239.080	-0.465	50	10	BBGE	
CC[C@@H]1CNCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808648	VUWFHUNDFXSJIV-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CC(C)CN(C(=O)C#CB(O)O)[C@H]1CCOC1	2247851167	DIAFAPIJKWQLBP-JTQLQIEISA-N	239.080	-0.725	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247854512	DMMVVDDEKHSFTR-DJLDLDEBSA-N	241.096	-0.531	50	10	BBGE	
C#CC1(CNC(=O)c2coc(B(O)O)c2)CC1	2247867314	CNDQQCBUUIQENK-UHFFFAOYSA-N	233.032	-0.897	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2csc(B(O)O)c2)C1	2247867994	BSZNDNUDRGBFCG-QMMMGPOBSA-N	249.100	-0.477	50	10	BBGE	
N[C@H]1CCCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247871680	FZJBHASWWABSMC-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC[C@@H](C)F)c1	2247874641	NZOYHUFKJPWBID-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1occc1B(O)O	2247878311	NKHNXMMXXWGKOY-APPZFPTMSA-N	235.048	-0.512	50	10	BBGE	
CO[C@H]1C=C[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247880385	ZXCRKUYGEPUUGG-IUCAKERBSA-N	239.080	-0.157	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCOC1	2247899364	MWTKXECAIYLQIT-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@H](F)CO)C1)[C@@H]1C[C@H]1B(O)O	2247899583	OLCVNHJFHYWBJQ-ANZWQOBJSA-N	245.059	-0.926	50	10	BBGE	
O=C(O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248574826	CQZVBTKMSLCNLD-XUTVFYLZSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2248575587	BUQFPEXCQOOTBJ-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
CC(C)(/C=C/C(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248587009	KITLFBGQIUFHKN-HKFDCFJWSA-N	241.052	-0.615	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)C(=O)C1(B(O)O)CC1	2248587393	OVVYZRKUNFWWTE-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
CCN(CC1CC1)C(=O)c1cocc1B(O)O	2249416695	WGGYSQLMXATHEL-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@H]1CCCN1	2249875014	WONMCHPHTTZERW-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC[C@H](O)C2)CC1	2250537884	QVONVEDNRCMACP-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2OCC[C@@]2(C(=O)O)C1	2253342492	RSRHHQHMNRWMHC-GMSGAONNSA-N	243.263	-0.652	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)[C@H]1CC1(C)C	2255456780	SRFDYVOSUIHKGJ-JTQLQIEISA-N	248.091	-0.368	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](c2cc[nH]n2)C1	2255468224	XNUCITGPBQGISQ-SECBINFHSA-N	247.063	-0.869	50	10	BBGE	
Cc1cnc(C(=O)N(C)C2(C)CC2)c(B(O)O)c1	2255555883	HWLBCGALVKCJNN-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
Cc1cc(C(=O)N2CC3(C)CC2C3)oc1B(O)O	2255566243	PASFJSXHJHXUTK-UHFFFAOYSA-N	249.075	-0.108	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1ccc(B(O)O)o1	2255669213	LDCLULYUMLOFOK-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
COc1ccc(CN(C)C(=O)C#CB(O)O)cc1	2255674446	XYXBOFXIKJSGOL-UHFFFAOYSA-N	247.059	-0.331	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2255731726	KGWRINGJBKMYEX-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
C#CCOCC(=O)Nc1cc(C)cc(B(O)O)c1	2256680075	QVLXNLDOEJLUSW-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(C)ccc1B(O)O	2258279720	KQLQBHSGFUEKNE-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
C=CCC(=O)NCc1ccc(B(O)O)c(OC)c1	2260831094	KFMDRDPJLKGXGI-UHFFFAOYSA-N	249.075	-0.433	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CCCO[C@@H]21)C1(B(O)O)CCC1	2298367954	DTALACUEDHQYEO-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2298371465	LXQUNPTXSODSLM-VVULQXIFSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1CCO[C@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2298376017	BNPVCIUCHBTBML-JXUBOQSCSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1CCNC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298376093	HRZCRULUSFDFLF-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298377019	BEBAIHSJKPTKRW-RGOKHQFPSA-N	239.080	-0.610	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	2299810850	WLIGWYREGMSYSM-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CC(=O)NN)Oc1cccc(C(N)=O)c1	2300927713	XXHHBJHELSFUGP-SSDOTTSWSA-N	237.259	-0.067	50	10	BBGE	
C#CCN(CCC)c1cc(B(O)O)c(F)cn1	2303835543	YLJHUXCERZDUOT-UHFFFAOYSA-N	236.055	-0.250	50	10	BBGE	
C[C@@H]1NCC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303857605	GLEDRLKDUYWXNJ-IMTBSYHQSA-N	240.043	-0.970	50	10	BBGE	
CNC[C@@H](C)COc1cc(B(O)O)c(F)cn1	2303860889	KJSKLSPYSYWTQV-SSDOTTSWSA-N	242.059	-0.865	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC[C@H](O)CCO	2306867350	SGHNZULTNAGISP-DJLDLDEBSA-N	243.259	-0.964	50	10	BBGE	
N#Cc1cnn(-c2ccc(C=O)c(B(O)O)c2)c1	2317311356	OGBFWPJFKKPSNF-UHFFFAOYSA-N	241.015	-0.764	50	10	BBGE	
CCN(CC)S(=O)(=O)CCC(=O)NN	26468115	LXJHUMXFEXEDEE-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
NS(=O)(=O)CC(=O)CBr	34156526	QVLWICCOJMYTNL-UHFFFAOYSA-N	216.056	-0.761	50	10	BBGE	
COC(=O)CCSCCC(=O)NN	82472422	VWOJMCOYSRROLQ-UHFFFAOYSA-N	206.267	-0.337	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)CCO	85144611	VMQIUZKTYIVXFA-LURJTMIESA-N	220.294	-0.342	50	10	BBGE	
O=C(CCl)NCCCCc1nnn[nH]1	95118505	YLDNVSHUHSVSKO-UHFFFAOYSA-N	217.660	-0.123	50	10	BBGE	
NC[C@@H]1CCN(Cc2cc(C(=O)NN)no2)C1	110577761	RCRDBWYSEIOUSG-ZETCQYMHSA-N	239.279	-0.941	50	10	BBGE	
CCC1C[C@H]2C(=O)N(CC(=O)NN)C(=O)[C@@H]2C1	159529525	KONJHOICGAXLRI-HTQZYQBOSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](CO)SC[C@@H]1CC[C@H](C(=O)NN)O1	162816040	AZRGFJBCOILTAA-GJMOJQLCSA-N	234.321	-0.362	50	10	BBGE	
O=c1ccn(Cc2cc(F)cc(B(O)O)c2)cc1	211627694	JKQIOVJCIJCELU-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247803	AHWWMSUJZHXVTA-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cn[nH]c1	234567283	LDMCDNATNKESPI-ZCFIWIBFSA-N	231.639	-0.080	50	10	BBGE	
CC(=O)Oc1ccc(O)cc1C(=O)NN	238116826	PAGHTCFCVRCLGS-UHFFFAOYSA-N	210.189	-0.079	50	10	BBGE	
CC(=O)NN=CCCn1[nH]c(=O)ccc1=O	255964317	BFXNMQVWZHJPSV-UHFFFAOYSA-N	224.220	-0.951	50	10	BBGE	
CCNC(=S)NNC(=O)C1COC1	306407981	HLVXBVJZSQTORU-UHFFFAOYSA-N	203.267	-0.852	50	10	BBGE	
O=[S@]1CCCN(S(=O)(=O)CCl)CC1	306479218	HSLZRUGHXUHGOY-LBPRGKRZSA-N	245.753	-0.033	50	10	BBGE	
CS(=O)(=O)OCCCC/C=C/B(O)O	307547064	LBXNTTPFDMUDDK-GQCTYLIASA-N	222.071	-0.299	50	10	BBGE	
C=COCCCNCC(=O)NNC(C)=O	309083464	TVIAFCAYRNQCSF-UHFFFAOYSA-N	215.253	-0.707	50	10	BBGE	
NC(=O)NCCNc1nc(N)nc(CCl)n1	309319258	OQZOLUFXBWZLJT-UHFFFAOYSA-N	245.674	-0.727	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)[C@@H]1CCCO1	381293662	FIXBTPYFLJNGBT-APPZFPTMSA-N	229.280	-0.689	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1[C@H](C)CC(=O)NN	385586639	AFHDHVPIKQRJQL-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
N#CCCc1ccc(C#N)cc1B(O)O	396098253	JNDVKSYFOJTWFM-UHFFFAOYSA-N	200.006	-0.306	50	10	BBGE	
CO[C@@]1(CO)CCN(C(=O)CCl)C1	401810773	DAKMOONDVPNHLJ-QMMMGPOBSA-N	207.657	-0.165	50	10	BBGE	
CN1C(=O)CN(S(=O)(=O)CCl)C1=O	575450696	CIDFBIFHQZULFW-UHFFFAOYSA-N	226.641	-0.594	50	10	BBGE	
O=C1COC(=O)N1C[C@@H](O)CBr	642835377	MMXYPGPXXBOICX-BYPYZUCNSA-N	238.037	-0.279	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H](C)CO	688395152	MYFWIPSCJUNIEP-RKDXNWHRSA-N	217.313	-0.439	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCN(C)CCO	691314692	NKJXUABVGVAZQZ-SNVBAGLBSA-N	246.355	-0.999	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C[C@H](C)O)C1CC1	692095640	MDZKGRAHKJAVBN-WCBMZHEXSA-N	229.324	-0.010	50	10	BBGE	
CCN(C[C@@H](C)O)[C@H](C)CC(=O)NN	692155080	DWVPYHCQBSMLQH-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
CN1CCC(Oc2cncc(B(O)O)c2)CC1	697644146	PYRMTMRWARNTQL-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
Cn1nnc(C(=O)NC2CC(CCl)C2)n1	698871745	IQSLUYJPHUHUFB-UHFFFAOYSA-N	229.671	-0.043	50	10	BBGE	
Cc1nccnc1CN(C)C[C@H](C)C(=O)NN	704143207	FBUWZMOJUOACIB-QMMMGPOBSA-N	237.307	-0.157	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC12CCC2	706420626	QZHYLNFEGQFMPS-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
COCC1(N(C)[C@H](C)CC(=O)NN)CC1	707147115	KJBATVOJKWEURE-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(n2cccn2)C1	707305245	CBWXXKHKCBJVDK-MRVPVSSYSA-N	223.280	-0.492	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(n2ccnc2)C1	707389824	WVJZOUUTPVBWNQ-SECBINFHSA-N	237.307	-0.102	50	10	BBGE	
CN(C)NC(=O)NO[C@@H](C(=O)O)C1CC1	709032320	OXCHCFDKSSETTG-ZCFIWIBFSA-N	217.225	-0.443	50	10	BBGE	
CN1CCN(CCn2cnnn2)C[C@@H]1CCl	712537410	COQDDLCXZXILCN-VIFPVBQESA-N	244.730	-0.472	50	10	BBGE	
Cl[C@H]1COCC[C@@H]1NCCn1cnnn1	712594246	NYRWWZWENAXECH-YUMQZZPRSA-N	231.687	-0.341	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCS[C@H](CCO)C1	720083719	ASLYZZKPNBFPBP-RKDXNWHRSA-N	247.364	-0.445	50	10	BBGE	
CN(CCCl)[S@@+]([O])(=O)C1=NC[N+](C)=C1	725701924	VDQRJKQTNBUEAJ-UHFFFAOYSA-N	238.720	0.000	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CNC(=O)c2ccccc21	858109143	NIQDAJPFFSASCE-SNVBAGLBSA-N	247.254	-0.319	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cc(B(O)O)ccc1F	914165495	FPIVRUWIXNGREV-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)Cc1ccccn1	1136721000	JVPXKMSCOGOLBA-ZETCQYMHSA-N	223.232	-0.848	50	10	BBGE	
Cc1nnc(NNC(=O)c2cncn2C)n1C	1331797473	VNAACQHYRCLCNT-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC1(F)F	1443723033	CASZZPVTCZTTQS-LURJTMIESA-N	244.201	-0.245	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1cscn1	1618115674	CEOBTWJDUXEFCA-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
C=CC(C)(C)C(=O)NNC(=O)c1cnn[nH]1	1627298606	WSLAHXADYBKJFI-UHFFFAOYSA-N	223.236	-0.222	50	10	BBGE	
Cn1ccc(NNC(=O)c2ccnnc2)n1	1638666213	XUKFWNFGYWJOHK-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
Cn1nnnc1C[C@@H](N)CBr	1880418647	TYQUBOFCGBGNHE-SCSAIBSYSA-N	220.074	-0.525	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)C[C@H]1F	1881831771	CPKRFTXOEDSTCH-XLPZGREQSA-N	211.664	-0.152	50	10	BBGE	
O=C(CCl)N1C[C@H]2CS(=O)(=O)[C@@H]2C1	1887071694	IRYCOSKBHXDIHQ-NTSWFWBYSA-N	223.681	-0.519	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1[C@H](C)C(=O)NN	1890503076	HGNQWGIQYJOXDG-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
CC(C)[S@@](=O)N1CC[C@@](C)(B(O)O)C1	1891518105	XDPPEZVKMVGMPW-XLKFXECMSA-N	219.115	-0.003	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]1CF	1896772705	UQSOJNFZMXFPAB-YUMQZZPRSA-N	225.028	-0.866	50	10	BBGE	
N#CCCC1CN(CCOCC(=O)NN)C1	1900606336	CMIPWDYBIHMHRL-UHFFFAOYSA-N	226.280	-0.772	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)C1(C)C	1900685452	CHPKLGJSBWPRLH-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NN(C)S(C)(=O)=O)N1	1901375438	LTVIRLPFOKNICE-YUMQZZPRSA-N	249.336	-0.560	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC(O)CC1	1901763804	MZYYBHIBKXGVJD-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](O)CN(CCC(=O)NN)C1CCCC1	1902649646	KIBVBGQCTRZZME-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](O)CN(C(=O)C(=O)NN)C1CCCC1	1902651226	JPVCSXZAFSREHD-ZETCQYMHSA-N	229.280	-0.872	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)C1)C1(B(O)O)CCC1	1902665883	HQHLQLYYOPVPQC-JGVFFNPUSA-N	227.069	-0.587	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1C[C@@H](C)C(=O)NN	1903307739	PXFDIGROMAAXMV-BBBLOLIVSA-N	229.324	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	1904370513	PHAQQHBCHYIDDQ-QCLAVDOMSA-N	227.308	-0.400	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)S(C)(=O)=O	1913514605	QJFHFYOJLVIUSW-UHFFFAOYSA-N	237.325	-0.716	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914023264	RQVINAJVTMWACA-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CON1CCN(CC(C)(C)C(=O)NN)CC1	1915710779	NDWZKLVOONLALK-UHFFFAOYSA-N	230.312	-0.819	50	10	BBGE	
C[C@@H](CCO)N(C)CC(C)(C)C(=O)NN	1917042656	GFKYBHDLNSUFJF-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
CC1(C)C[C@@H](O)CN(CCC(=O)NN)C1	1923156404	XFOLPEMWLZYXCA-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CNC(=O)[C@H](C)NNC(=O)C(F)(F)F	1923394584	VNYIYKRVPRAYKJ-VKHMYHEASA-N	213.159	-0.696	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)CCS1	1928182987	LKRPGWUIZQMXHZ-MRVPVSSYSA-N	233.337	-0.570	50	10	BBGE	
C[C@H](OC[C@@H]1COCCCO1)C(=O)NN	1933318531	XUPIZTSHTKSRHM-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
C[C@H](CN1C[C@@H]2CC[C@@H]2C1=O)C(=O)NN	1935427429	IODKUEPIHQIVLI-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1CC(F)(F)C(=O)NN	1935933280	WWVGGUYCVBVLGV-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C(=O)N1C	1936021812	LMWOSNLPKFJAAT-QMMMGPOBSA-N	228.296	-0.098	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@]2(C)C[C@H]1CO2	1936102425	DPLDSJVKXXERMT-QCBRBAQYSA-N	227.308	-0.136	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COCC[C@@H]1Cl	1937144818	FKURAYNDEALVBI-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
CSC1CN(Cc2cccc(B(O)O)c2)C1	1939044171	KPXRAXROTKWLHT-UHFFFAOYSA-N	237.133	-0.086	50	10	BBGE	
NNC(=O)CCCN1CCO[C@H]2COCC[C@H]21	1940342545	AUCHJTRLVXJPBZ-ZJUUUORDSA-N	243.307	-0.754	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H](CO)C(C)(C)C	1941072030	HSXIBWQFLYJULD-AEJSXWLSSA-N	243.351	-0.049	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1C[C@@H]1C[C@H]1C(=O)NN	1941092077	GCFUMZRBDHMIQY-NKWVEPMBSA-N	239.235	-0.274	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)[C@@H](C)CO1	1941774221	GYXBULWAZWLGFE-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H](CCS(C)(=O)=O)[C@H](O)C#N	1951361461	SPQFGHOFQYRXGX-RQJHMYQMSA-N	207.251	-0.679	50	10	BBGE	
Cn1nnc(CN[C@@H]2C[C@@H]2CCl)n1	1954309886	OGBJKDGCIASTOK-PHDIDXHHSA-N	201.661	-0.073	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@H]1CC(=O)NC1=O	1956858427	MQLNAERDEXHBRC-WHFBIAKZSA-N	218.640	-0.513	50	10	BBGE	
O=S(=O)(N1CC(Cl)C1)N1CC[C@H](O)C1	1956901599	ZCNHDEWUHUZMSL-ZETCQYMHSA-N	240.712	-0.779	50	10	BBGE	
O=C(CCCl)NC1[C@H]2CS(=O)(=O)C[C@H]12	1957281393	QVARAACZFFZUGS-WDSKDSINSA-N	237.708	-0.226	50	10	BBGE	
CC[C@@H](C(=O)NN)N1Cc2conc2C1	1958699466	MTUOGFOVLHDGSI-QMMMGPOBSA-N	210.237	-0.241	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1[C@H]2CCCC[C@H]21	1960583833	ODWGSXNPDQLIES-RNLVFQAGSA-N	211.265	-0.471	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(OC)CC1	1960729911	OFZJTWBWZRNCOL-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCO[C@@H]2C1	1961581300	AMWCOZKBTQZWGX-HRDYMLBCSA-N	213.281	-0.524	50	10	BBGE	
C[C@]1(CO)CC(F)(F)CN1CCC(=O)NN	1976215777	WDLWQPKZNDRMGP-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
NNC(=O)CCN1C[C@@]2(CCOC2)CC1=O	1980810883	DISKCFQGXDBGPF-SNVBAGLBSA-N	227.264	-0.995	50	10	BBGE	
C[C@@H]1CCCN1c1ncc(B(O)O)cc1F	1981468546	DOOAJWCLOUVFFA-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
CO[C@H]1CCC[C@H](CNC(=O)C(=O)NN)C1	1985919339	KZEYNAYKYYNJSR-YUMQZZPRSA-N	229.280	-0.702	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	1986732677	UDDXMUCJSIVGOU-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
Cc1ncn(C)c1CN(C)[C@H](C)C(=O)NN	1987999056	WURPVUJFGRGSGY-MRVPVSSYSA-N	225.296	-0.461	50	10	BBGE	
CC1(C)CO[C@H](C(=O)NCC=CB(O)O)C1	1991329070	VMSWPUAKHMLOPY-QMMMGPOBSA-N	227.069	-0.514	50	10	BBGE	
COCCNC(=O)N[C@H]1CCC=C1B(O)O	1991329478	IYPVMRWQVHVUBP-QMMMGPOBSA-N	228.057	-0.967	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H](CO)CCC1(C)C	1994868100	LITOYRXHZGDQJO-IUCAKERBSA-N	229.324	-0.010	50	10	BBGE	
COC[C@]12CN(C[C@@H](C)C(=O)NN)C[C@@]1(C)C2	2001040137	MSMYJUBKEJHXEL-JLLWLGSASA-N	241.335	-0.029	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C2	2001049308	MFKKDGJBIOZRJD-CKYFFXLPSA-N	241.335	-0.031	50	10	BBGE	
COCC[C@H](COC)N(C)C[C@H](C)C(=O)NN	2001424534	DCUBWSBKSQHDBY-VHSXEESVSA-N	247.339	-0.404	50	10	BBGE	
CC[C@@H](O[C@H]1C[C@H](OC)[C@H](OC)C1)C(=O)NN	2001612138	JIYANGHCOVHPTI-KYXWUPHJSA-N	246.307	-0.036	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@]2(CCOC2)C1	2002821502	AJJFUGYGNYTAIW-KOLCDFICSA-N	243.307	-0.754	50	10	BBGE	
COC[C@@H](Oc1ncc(B(O)O)cn1)C(C)C	2004924438	BOSVQLZKIXIKCN-SECBINFHSA-N	240.068	-0.794	50	10	BBGE	
CC1(C)C[C@@H](Oc2ccc(B(O)O)cn2)CO1	2004950295	DIVWYLHVMJDCSF-SECBINFHSA-N	237.064	-0.292	50	10	BBGE	
Cc1cnc(OC[C@@H](C)N(C)C)c(B(O)O)c1	2007002149	XSTVCOZVZUCTFF-SECBINFHSA-N	238.096	-0.601	50	10	BBGE	
CC[C@H](OC[C@H]1COC(C)(C)CO1)C(=O)NN	2009656735	QTHVBVOJGAHBTH-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]2(C1)C[C@@H](O)C2	2011297661	OPUSQVIECLKSHD-JGZJWPJOSA-N	241.291	-1.000	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)cc1	2011371345	BHFHBPFHARLOEM-KWQFWETISA-N	235.287	-0.145	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CC(CO)C2)C1	2013608027	GWHONWVBPPIKDF-BDAKNGLRSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C(=O)C1	2014832925	ILZWMUGZJLAKMN-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
CCN1CCN(c2ccc(B(O)O)cn2)[C@@H](C)C1	2052473466	SVPRZKVTWGGDIQ-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
COc1ccccc1Oc1ncncc1B(O)O	2052494988	UNQTUBQICGNYNQ-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)c([N+](=O)[O-])c1	2060018076	LEAKTQNROAHIIJ-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
N#Cc1c(C=O)ccc(C(F)F)c1B(O)O	2060232225	WXBMUMPOVCVKJT-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2COC3(CCC3)C2)nc1	2076748531	CRKPADBALBAGPY-JTQLQIEISA-N	249.075	-0.148	50	10	BBGE	
C#CC[C@@H](CC)Nc1ncc(B(O)O)cn1	2212602613	HEPLRGYDWAKQDF-SECBINFHSA-N	219.053	-0.630	50	10	BBGE	
N#C[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214598436	HEMZKBKNDJITJZ-LLVKDONJSA-N	230.076	-0.288	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2CC[C@H](C1)O2	2215775729	IROMNBHWXQCXBZ-MMWGEVLESA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1CC1(C(=O)NN)CCC1	2216490353	CNJCSZHOYOVZQH-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)ccn2)CCCOC1	2217177521	JWNSYVZWBWNRTN-LLVKDONJSA-N	236.080	-0.258	50	10	BBGE	
C#CC1CC(Nc2nccc(B(O)O)c2F)C1	2217181049	XOADBXCGQYXQGW-UHFFFAOYSA-N	234.039	-0.276	50	10	BBGE	
Cc1cnc(N[C@@H](C)C2CNC2)cc1B(O)O	2217184255	REZFABVYIURRFU-QMMMGPOBSA-N	235.096	-0.910	50	10	BBGE	
Cc1ncccc1Oc1ncc(B(O)O)cn1	2217185990	FCLDZBIIMZJYGV-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
OB(O)c1ccnc(N2CC3CC2(CF)C3)c1	2217197587	OCSNSQFFZBUBDH-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
CC[C@@H](N)CN(CC)c1ccc(B(O)O)cn1	2217199509	CYZHUDKCELDFAK-SNVBAGLBSA-N	237.112	-0.675	50	10	BBGE	
C=CC[C@H]1CCCN1c1ncc(B(O)O)cn1	2217201459	PQORLOIFWLHERG-JTQLQIEISA-N	233.080	-0.299	50	10	BBGE	
C[C@H]1OC2(C)CC1(Nc1ncc(B(O)O)cn1)C2	2223627311	MFRPVHUFXQBSDJ-CAZGOSDBSA-N	249.079	-0.722	50	10	BBGE	
N#CCCN(CC1CC1)c1cc(B(O)O)ccn1	2223634303	IYSLBRJZLVHAGI-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@H](N)C2)cc1B(O)O	2223645204	UAQDFZRAMFUICW-UWVGGRQHSA-N	249.123	-0.248	50	10	BBGE	
CO[C@@H]1C=C[C@H](Nc2cc(B(O)O)c(C)cn2)C1	2223649755	CPYGIMAQNWQIBC-VHSXEESVSA-N	248.091	-0.175	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CCC1	2241472569	UJOMEKVUZBWJRV-UHFFFAOYSA-N	211.051	-0.726	50	10	BBGE	
O=S(=O)(O)c1cc(Cl)c(B(O)O)s1	2241493988	SLAIRUSQTZPTMX-UHFFFAOYSA-N	242.470	-0.672	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C(F)(F)F	2241555133	JIIISLIKYQHLBP-UHFFFAOYSA-N	233.942	-0.738	50	10	BBGE	
CSC1CC(C(=O)NNC(N)=S)C1	2241573040	DHKAUITWRPACKJ-UHFFFAOYSA-N	219.335	-0.008	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243364412	WWNKHHBHAHJFCZ-JGVFFNPUSA-N	227.069	-0.371	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)C1CNC1	2243365170	IUDYZHDLGZKUNH-SSDOTTSWSA-N	226.085	-0.892	50	10	BBGE	
CCN(CCOC)C(=O)C1CC(B(O)O)C1	2243396158	IJWGITDNJBRPOP-UHFFFAOYSA-N	229.085	-0.266	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2243396933	SPAUDAWGUAGCBL-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1csnc1B(O)O	2243397771	IVKDPGPBFHPCHF-YFKPBYRVSA-N	242.065	-0.941	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccc(B(O)O)o1	2243400683	GGUNSTQXQRCCFY-UHFFFAOYSA-N	227.000	-0.485	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1O	2243409519	JPCAMIRULFTWSA-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
C=C(F)CNC(=O)c1cc(C)c(B(O)O)s1	2243409688	MZGSZKNNVPQUAN-UHFFFAOYSA-N	243.068	-0.051	50	10	BBGE	
O=C(N1C[C@H](O)C12CCC2)C1(B(O)O)CC1	2243410361	ZZYXGZDCBGSXLC-ZETCQYMHSA-N	225.053	-0.881	50	10	BBGE	
CON(C)C(=O)c1sc(C)c(B(O)O)c1C	2243413358	FDVPCSWENXJECH-UHFFFAOYSA-N	243.093	-0.322	50	10	BBGE	
N#CNC(=O)c1cc(F)c(B(O)O)cc1Cl	2243477117	CMMHPGNYMUPRKV-UHFFFAOYSA-N	242.402	-0.630	50	10	BBGE	
C=CCC(=O)N(C)Cc1csc(B(O)O)c1	2243662902	CYUREYHKZOUHET-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
CN(Cc1sccc1B(O)O)C(=O)C(F)F	2243666268	ZMUUUUFSZKSRHK-UHFFFAOYSA-N	249.047	-0.349	50	10	BBGE	
O=C(NCC=C(F)F)c1ccoc1B(O)O	2243769025	OHKXHQQGTPIPTL-UHFFFAOYSA-N	230.963	-0.530	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1CCC=CCC1	2244152668	DRIKCFUOLSKUEO-UHFFFAOYSA-N	221.065	-0.041	50	10	BBGE	
CC=C1CN(C(=O)c2ccncc2B(O)O)C1	2247732870	KFFYEWNVQQPCHY-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
CC1(C)C[C@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2247756462	MISWUDZTGGFSIS-QMMMGPOBSA-N	240.112	-0.421	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1C=CCC1	2247763467	LNCRTCUGRVLGPW-VIFPVBQESA-N	234.064	-0.847	50	10	BBGE	
C[C@@H](NC(=O)c1cncc(B(O)O)c1)C(F)F	2247775969	SETGYFDBZHNANM-RXMQYKEDSA-N	244.006	-0.855	50	10	BBGE	
O=C(N[C@@H]1CNC2(CCC2)C1)[C@@H]1C[C@@H]1B(O)O	2247793055	WDGODVGBXZBBQH-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C(=O)[C@@H]1C	2247798012	PLLOPCGCBMFPBK-PZYMCFGQSA-N	239.080	-0.120	50	10	BBGE	
C[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247798191	QWVDNOJPUXISFR-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCCN1CCC1)[C@H]1C[C@H](B(O)O)C1	2247800770	SPJXSAWGZRZQBB-MGCOHNPYSA-N	240.112	-0.549	50	10	BBGE	
COc1cccnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247804795	IPMVIRMKVTYDDU-RQJHMYQMSA-N	236.036	-0.108	50	10	BBGE	
C=C[C@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247848187	IBNFJJIKUQPCDD-QMMMGPOBSA-N	235.048	-0.346	50	10	BBGE	
O=C(NC1(CCO)CCCC1)[C@H]1C[C@@H]1B(O)O	2247852223	QLURAVJCUDVHMI-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](O)[C@H]2CC[C@@H]21	2247887972	UIUBRULMSYXPKZ-SVSWQMSJSA-N	239.080	-0.779	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN(C2CC2)CC1	2247895285	QVCKLJKUZJLABK-ZJUUUORDSA-N	238.096	-0.844	50	10	BBGE	
NCc1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247899152	KUIIRJQYXFINRN-NXEZZACHSA-N	234.064	-0.053	50	10	BBGE	
C[C@H]1CCNC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901769	AGFLVXZLBVVYSD-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@@H](C)CN1	2247911097	SUKGTXFQRJDZKR-DKEVHCRPSA-N	240.112	-0.552	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248576006	IMXRDNUQCMSNCF-YWIQKCBGSA-N	241.052	-0.781	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1CNC(=O)C1(B(O)O)CC1	2248715213	JPBWWXPPDHONSB-PSASIEDQSA-N	241.096	-0.218	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CC[C@H]21	2249416377	QSVOMJVEPDGSAC-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2250002329	JSJVPANZVSLZCR-YUMQZZPRSA-N	245.034	-0.201	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cn2)C=CCCN1	2253426869	GOCWXVWBOQTSMZ-GFCCVEGCSA-N	248.091	-0.552	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cncn1C	2254028470	FXCWYPOVNYBQBE-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cn1cccc1CNC(=O)c1ccc(B(O)O)o1	2255466610	BGVCMPJXYPFNMU-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
C[C@H](NC(=O)c1ncc(B(O)O)cn1)C1CCC1	2255470302	BGWFERFNLFXIQM-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
CCC1(C)CN(C(=O)c2ncncc2B(O)O)C1	2255516842	QKYFLTGRVMMQQF-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C=CCC1(NC(=O)c2c[nH]nc2B(O)O)CCC1	2255550294	KZFNRKAGKGSEPD-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2[C@H]3CCC[C@H]32)oc1B(O)O	2255580478	DCEWQAPVIMLOCA-DIYOJNKTSA-N	249.075	-0.204	50	10	BBGE	
Nc1ccc2c(c1)CCCN2C(=O)C#CB(O)O	2255672985	NDPJRBTZIOGGIA-UHFFFAOYSA-N	244.059	-0.437	50	10	BBGE	
CCc1nccnc1CNC(=O)[C@H]1C[C@H]1B(O)O	2255685345	ZEWOAJZQLMNOAM-JGVFFNPUSA-N	249.079	-0.482	50	10	BBGE	
Cn1cc(C(=O)Nc2ccccc2)nc1B(O)O	2255739534	LYZKGDRZBUGGCB-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CC1=CC[C@@H](NC(=O)c2cc(B(O)O)n[nH]2)CC1	2255762152	QYIZZHZYQAFMJL-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1n[nH]cc1B(O)O	2255762826	BDHKAVYCBFSRJE-APPZFPTMSA-N	249.079	-0.992	50	10	BBGE	
Cc1nc(OC[C@]23C[C@H](CO2)C3)ccc1B(O)O	2260702978	ZURNOPFWXGNYIF-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
Cc1nnccc1CN(C)C[C@H]1C[C@H]1C(=O)NN	2261227398	ZYNKAPRVSJLCFP-GHMZBOCLSA-N	249.318	-0.157	50	10	BBGE	
COC(C)(C)C1(C(=O)NCC=CB(O)O)CC1	2303647293	BBKOUJIQUHIPAW-UHFFFAOYSA-N	241.096	-0.124	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CNC[C@@H]1F	2303695545	CMMSZQUTELFMIP-ABIFROTESA-N	244.075	-0.992	50	10	BBGE	
NC[C@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303835264	UCPDQGHGNIQFCN-LJGSYFOKSA-N	239.059	-0.950	50	10	BBGE	
CC(C)CC(=O)NN[C@H]1CCS(=O)(=O)C1	5613829	CJNKMLSRKSGJEJ-QMMMGPOBSA-N	234.321	-0.160	50	10	BBGE	
O=[N+]([O-])c1cnn(C[C@H](O)CCl)n1	34301640	QRNKYLUYQJXLBY-SCSAIBSYSA-N	206.589	-0.214	50	10	BBGE	
CN(C)c1nc(=O)n(C(=O)Cl)n1C	39057255	UHWVWWWCOBUSDD-UHFFFAOYSA-N	204.617	-0.145	50	10	BBGE	
O=c1cnn([C@@H]2OCC[C@H]2Cl)c(=O)[nH]1	39283925	QAIMIFUBPLNYTI-INEUFUBQSA-N	217.612	-0.542	50	10	BBGE	
CC(C)(NC(=O)NC(=O)CCl)C(N)=O	45112694	RTWBMTJKDKSOOV-UHFFFAOYSA-N	221.644	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCC#N)CCC#N	58837457	SCYIIDOSIDMYBR-VIFPVBQESA-N	223.280	-0.116	50	10	BBGE	
CCS(=O)(=O)Cc1ncc(C(=O)NN)s1	82416611	GMBOVFYGZRIQSH-UHFFFAOYSA-N	249.317	-0.319	50	10	BBGE	
C[C@H](CN1CCCN(C)CC1)C(=O)NN	82466535	KMUNSLXWAJSJOP-SECBINFHSA-N	214.313	-0.750	50	10	BBGE	
CCn1c(S[C@@H](C)CC(=O)NN)n[nH]c1=O	82472679	HYFVTHHLWPUSCW-YFKPBYRVSA-N	245.308	-0.548	50	10	BBGE	
CCOC(=O)C(=N\O)/C(C)=N/NC(C)=O	102620808	XTMPHQKXTZYSCY-BRSOTXNKSA-N	215.209	-0.108	50	10	BBGE	
COCCCN(C)Cc1cc(C(=O)NN)no1	110582913	GAXKNTGUTKSIJX-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
COC[C@@H](C)N(C)Cc1cc(C(=O)NN)no1	110586269	ATHLBHIUJPQOPC-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1C(N)=O	129320831	WUEPFSOYKIFWDF-NTSWFWBYSA-N	220.656	-0.674	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)C(C)(C)CCl	227260727	VZTHJOXISAVELL-ZCFIWIBFSA-N	237.683	-0.099	50	10	BBGE	
CO[C@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1OC	234815160	RAMVBBHTAXYTSY-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
CS(=O)(=O)c1cc(Cl)ccc1B(O)O	238383711	MYYXQHUKTXZMRN-UHFFFAOYSA-N	234.469	-0.577	50	10	BBGE	
CNNC(=O)COCC1CCOCC1	258934710	BGZUEWAKBCJEFW-UHFFFAOYSA-N	202.254	-0.320	50	10	BBGE	
C[C@H](SCC(=O)N(C)C)C(=O)NN	300818724	ILHNSSIKHDYQSG-YFKPBYRVSA-N	205.283	-0.814	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)c1ccco1	308850302	RAPQIYQUUWRRCL-LURJTMIESA-N	211.221	-0.222	50	10	BBGE	
O=C(NNCC1CCC1)[C@@H]1COCCN1	309656391	VZNZVNZIBJVZNF-VIFPVBQESA-N	213.281	-0.604	50	10	BBGE	
Cc1nccn(Cc2cccc(B(O)O)c2)c1=O	310813577	GUEXTGHACXVRIT-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCN1CCCN(CCC(=O)NN)[C@@H](C)C1	320671841	JQUKGVUKROAUTO-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C)[C@@H]1C	380340796	MORBOFLBYOGMHR-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1CN(Cc2occc2C(=O)NN)C[C@@H]1O	388798634	JBZLKDZEULWZFI-CBAPKCEASA-N	239.275	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(N2CCCC2)CC1	395220680	QBKGDZYNZZQUIM-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
COCC1(O)CN(S(=O)(=O)CCCl)C1	395231445	UTXCMICQGOOISI-UHFFFAOYSA-N	243.712	-0.752	50	10	BBGE	
CC(C)(C)[C@H](Sc1nncn1N)C(=O)NN	395690597	XFSWKCAVBVXXGF-RXMQYKEDSA-N	244.324	-0.511	50	10	BBGE	
CCC(=O)c1c(B(O)O)cccc1[N+](=O)[O-]	396049081	IIWBJJNBKHNOSL-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
CCOc1c(CCC=O)cccc1B(O)O	396093713	JCBMENOQSWKYQB-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
N#CCc1nc2c(B(O)O)cccc2o1	396108398	VWBMFAZVQMKEKN-UHFFFAOYSA-N	201.978	-0.426	50	10	BBGE	
Nc1cccc2c(C(=O)O)c(B(O)O)sc12	396243062	KUUKEPIREUYESQ-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1ccc(B(O)O)c2scc(O)c12	396333090	AQLVDMBHHBOJFZ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)C[C@@H](CC)O1	398749700	WRMVHJWAOURVKE-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[S@](=O)Nc1ccnc(B(O)O)c1	404978987	MTRDTRIAXVTNRR-HNNXBMFYSA-N	228.082	-0.755	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1cccc(B(O)O)c1	585000484	KUSOOHHUSLBHDM-JTQLQIEISA-N	231.060	-0.351	50	10	BBGE	
NC1=C=NNN1CC1=C=S=C(Cl)N1	642849008	ORKJFBHBPJNPFZ-UHFFFAOYSA-N	215.669	-0.861	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C(=O)O1	688530158	KGGXSGUSKSNIHC-GJMOJQLCSA-N	243.263	-0.635	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1[C@H](C)O	688641786	VACMFXOCMYNSGD-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CCO)C[C@H](C)O	695062813	RLNUNXCHEGRFIO-UWVGGRQHSA-N	247.339	-0.934	50	10	BBGE	
C[C@H](O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452886	VSXIWNNLFKWJNB-KVPKETBZSA-N	213.233	-0.328	50	10	BBGE	
CCn1nnnc1SC[C@H](C)C(=O)NN	706553738	QYKNJVKZDBIQNV-YFKPBYRVSA-N	230.297	-0.589	50	10	BBGE	
CCN(CCC(=O)NN)C1CCOCC1	716480713	GREKUSNUDLYKJS-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
O=C1[C@H]2CC[C@@H](CN1C[C@@H](O)CCl)O2	719514142	IMELABZYQFWGRS-BIIVOSGPSA-N	219.668	-0.024	50	10	BBGE	
COC[C@H](Cn1cc(B(O)O)cn1)C(C)C	721723819	HYBHBXBJJYITRC-VIFPVBQESA-N	226.085	-0.519	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C(=O)NN)C[C@@H](C)O1	724477726	YNMZZUCVJBVSGC-RNLVFQAGSA-N	229.280	-0.704	50	10	BBGE	
NC(=O)NC[C]1CC(B(O)O)=CS1	725595991	KJNIMPXDHSUHDL-UHFFFAOYSA-N	201.036	-0.781	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)[C@H](F)C1	725694049	GFQDYHOPYZVGLK-RITPCOANSA-N	231.676	-0.083	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1ccoc1)n1cncn1	747217726	XDWIBIYBLSMJQS-SSDOTTSWSA-N	249.230	-0.107	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@]2(O)C[C@H]2C1	849461860	CDOROTOIOHISIQ-NKWVEPMBSA-N	225.697	-0.031	50	10	BBGE	
CC(=O)NNC(=O)[C@@]1(CC(C)C)CCNC1=O	864427525	RHXQGCMIBGHQJW-LLVKDONJSA-N	241.291	-0.294	50	10	BBGE	
CC[C@H](O)[C@H](C)C(=O)NNc1nnc(C)n1C	912676658	DMSAVFWKIQVHAH-XPUUQOCRSA-N	241.295	-0.026	50	10	BBGE	
CCOCC(=O)NN=C(C)[C@@H]1COCCO1	1116266623	HODMJAGTONPJLU-VIFPVBQESA-N	230.264	-0.070	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCC(=O)NC1	1141855180	GNFIYVFZQFBMPK-BDAKNGLRSA-N	243.307	-0.754	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@H](O)C(C)(C)O	1333995344	UXVNYZJUXNPYTJ-LURJTMIESA-N	249.336	-0.978	50	10	BBGE	
COCCCC(=O)NNC(=O)c1cn(C)nn1	1334739534	GSMVYPXAMQHQAA-UHFFFAOYSA-N	241.251	-0.997	50	10	BBGE	
Cn1ccnc(NNC(=O)c2cncnc2)c1=O	1558945938	HVSDGDOUCSIZDH-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
COCCCCC(=O)NNC(=O)c1ncon1	1616276841	BIJBEVXWRUNCPZ-UHFFFAOYSA-N	242.235	-0.353	50	10	BBGE	
C[C@H](Cc1cnn(C)c1)C(=O)NN(C)C(N)=O	1630877655	BJADFCIQNGBRTP-SSDOTTSWSA-N	239.279	-0.360	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC2(CCC2)C1	1635913837	VDZCAYPECSGSEI-UHFFFAOYSA-N	245.087	-0.008	50	10	BBGE	
O=C(O)C#CCNC(=O)[C@@H]1C[C@@H]1Br	1877357060	ZTEWJRMRDOGPAQ-RITPCOANSA-N	246.060	-0.026	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1C[C@H]1CO	1877516434	RRKDVKCBPXJQGZ-NTSWFWBYSA-N	203.625	-0.195	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@@H]1Br	1881348511	GFNDMORCYIVJID-UHNVWZDZSA-N	232.085	-0.173	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	1890258490	CRBDLRHDDJNTCF-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
O=C(N1CCSC1)C1(B(O)O)CCC1	1891993354	FSNKOUCAWHLOTM-UHFFFAOYSA-N	215.083	-0.084	50	10	BBGE	
Cc1scc(C(=O)N(C)C)c1B(O)O	1892448269	ZEHWTXOTINXRLE-UHFFFAOYSA-N	213.067	-0.562	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@H]1C[C@@H]1Cl	1893469756	LYWDZKRDJMQQJP-SRQIZXRXSA-N	240.712	-0.593	50	10	BBGE	
N[C@H]1[C@@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]12	1893505489	WEMYRADSUXKSMK-NBDWIFLDSA-N	214.652	-0.277	50	10	BBGE	
NC[C@H](O)CC(=O)NCC1CC(Cl)C1	1893514219	WFHGVZYXVRQCHT-KAVNDROISA-N	220.700	-0.170	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC=C[C@H]1CO	1896014813	XQRGBVHRDIGUDU-LPEHRKFASA-N	225.292	-0.765	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1CCCN1	1901377849	TYWUEEPICNJQFK-QMMMGPOBSA-N	249.336	-0.560	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2[C@H]3COC[C@H]32)CC1	1902330142	KXEWKTKJVGNUBU-BRPSZJMVSA-N	226.276	-0.335	50	10	BBGE	
CC1(C)C[C@H](CO)CN1C[C@@H]1C[C@H]1C(=O)NN	1908687124	JLFABRJTEQSUPQ-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@H](C(=O)NN)C(C)C	1908891511	YMNCVKPAXDNIIV-DCAQKATOSA-N	240.351	-0.221	50	10	BBGE	
Cn1nnc(C(=O)N2CC=C[C@@H]2CCl)n1	1909228472	WJEWXFKSNAAVLW-ZCFIWIBFSA-N	227.655	-0.171	50	10	BBGE	
CN(C)NC(=O)[C@H](N)C[C@H]1CCCO1	1926589442	JGOYLVCZKMYROF-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C2CC2)CC1	1927974165	KDVKFVVIFAZXIC-SECBINFHSA-N	213.281	-0.523	50	10	BBGE	
C[C@H]1CCN(C(=O)NN)[C@H]1C(=O)N(C)C	1928671211	HRFDSKOXDNIITH-NKWVEPMBSA-N	214.269	-0.632	50	10	BBGE	
C[C@H](Sc1nc(O)ncc1F)C(=O)NN	1929951931	GCINBKFPVHWZLK-VKHMYHEASA-N	232.240	-0.208	50	10	BBGE	
NNC(=O)C1(CSc2nc[nH]n2)CC1	1931266304	CZLHPBDPZCPMCZ-UHFFFAOYSA-N	213.266	-0.333	50	10	BBGE	
CC1CC(OCCOCC(=O)NN)C1	1932768226	BVJNJVIKBVXZLH-UHFFFAOYSA-N	202.254	-0.192	50	10	BBGE	
O=C(CCl)N1CC[C@@](CO)(CCO)C1	1932830434	ODHFKLMRAGYGHY-SECBINFHSA-N	221.684	-0.181	50	10	BBGE	
CCC(=O)NCc1scc(C)c1B(O)O	1935205681	TVCSIKSQDKXEEE-UHFFFAOYSA-N	227.094	-0.237	50	10	BBGE	
C[C@@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936087373	BITGWTTWAUZWNF-IQJOONFLSA-N	227.308	-0.541	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)C1CN(C)C1	1937467285	FSQAMPNZZYPZDC-WPRPVWTQSA-N	226.324	-0.752	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](O)C(F)(F)CC1	1937575620	DVOWQRQWNHIXMG-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
CC(C)(CCN1CC[C@]1(C)CO)C(=O)NN	1938798879	IZDJKJHFZWFDAR-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCN1[C@H]2CCC[C@H](O)[C@H]1CC2	1939158773	WMVUCMXZFPTVHF-AEJSXWLSSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)c1cncc(CO[C@@H]2CCOC2)c1	1940574320	QFDAUWHCTACGNL-SNVBAGLBSA-N	237.259	-0.009	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2OCCO[C@H]2C1	1946396424	IAAOJEFUHPBILS-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](OC)[C@H]1C	1949587922	IXYYZISFIAVMBZ-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1955651683	FRAVSKITULKMHK-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
CCN(C(=O)NN)[C@@H]1CCCNC1=O	1956858053	JYBFOABGRUAPHO-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=C[C@H](O)C1	1960249317	URTJBLANRYTVNV-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
CN(C)CCOCCC(C)(C)C(=O)NN	1974649710	YFLWEGMZCPLENV-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@@H](O)C1	1980518468	HBKXIKBSFXYCFO-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
CCCN(C[C@@H](O)CCl)[C@H]1CC(=O)NC1=O	1981041242	NGXOTFCTRINEDL-YUMQZZPRSA-N	248.710	-0.287	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)C[C@@H]1C	1981409244	KQLCKUFQSOXCHW-OCAPTIKFSA-N	221.069	-0.751	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)c1ncccc1B(O)O	1981425830	KVTLBZYEISVTFB-PSASIEDQSA-N	220.081	-0.004	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)c1nc(B(O)O)cs1	1981471503	JBZCFBDMHSJCIH-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
O=C(NNCCO)c1cnn2c1CCCC2	1986108126	FBQRJFGKHDHFKN-UHFFFAOYSA-N	224.264	-0.554	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@H]1CN2C	1987187788	KNENCYDIMYFPKF-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	1989761462	OISQVOYCRJAQIM-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
COCCN(CCCC(=O)NN)C1COC1	1990124264	WNHIMBOTISNKQY-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@@H](C)C1	1990775625	YBCLISFIFGPOCO-QMMMGPOBSA-N	229.280	-0.878	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CCn1cc(B(O)O)cn1	1991146595	DULDKUMBDQZQDN-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
O=C(O)CN1CCN(C[C@H]2C[C@@H]2Cl)CC1=O	1991436659	AOVIZWAQLOLTSL-SFYZADRCSA-N	246.694	-0.158	50	10	BBGE	
CN(C)c1nc(=N)[nH]c(=NC[C@@H]2C[C@H]2Cl)[nH]1	1991448026	DPSNMSGWXRPASF-NTSWFWBYSA-N	242.714	-0.189	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOCCO1	1992315466	ILQOJIZBGAXLQA-SECBINFHSA-N	231.296	-0.345	50	10	BBGE	
C=C(CN1CC(N(CC)CCC)C1)B(O)O	1994901993	BLLKMKBUNBQZSW-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1(F)CC1	1994970803	LVXQUZPIQLDHFY-UHFFFAOYSA-N	224.000	-0.798	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1ncc(B(O)O)cn1	1996644997	DKABPDUJNIEYGV-LURJTMIESA-N	238.056	-0.924	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CC[C@H](N)C2)CC1	2003479422	HLIXKAIMXQJGKI-NSHDSACASA-N	234.303	-0.298	50	10	BBGE	
C[C@H]1COC[C@H](C)N1c1ncccc1B(O)O	2004936195	WFHVZWMXCRAGLQ-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(N(C)[C@@H](C)C(C)C)ncc1B(O)O	2004975405	YOEFDKNDYPWQSI-VIFPVBQESA-N	237.112	-0.054	50	10	BBGE	
OB(O)c1ccc(-n2ccc(C3CC3)n2)nc1	2005008468	YFGHNSTVNFNGHB-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
NNC(=O)CCCN1C[C@@H](O)C2(CCCC2)C1	2006030287	MRMHHKWWGFOKQN-SNVBAGLBSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@H]2COC[C@@H](C2)C1	2015194577	NWTUEIUBWWCQQK-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2CC2(C)C)n1	2021271430	VJQHSKUOWNARRQ-QMMMGPOBSA-N	236.080	-0.110	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccccc1B(O)O	2022197239	ZVQLPJCJDZBYNS-VIFPVBQESA-N	231.060	-0.328	50	10	BBGE	
OB(O)c1cccc(COC[C@H]2[C@H]3COC[C@@H]23)c1	2080319284	PYFPBCMKAZTVQE-CLLJXQQHSA-N	248.087	-0.225	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]2C[C@@H]2C1	2211137260	CVELAMDHOCLQKE-JGVFFNPUSA-N	238.121	-0.335	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](F)C[C@@H](O)C1	2215775490	HHRBCOZPMQIUST-AXTSPUMRSA-N	245.298	-0.593	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccc(O)cc1=O	2215776749	ORWLPWGVWUXNPG-CBAPKCEASA-N	237.259	-0.430	50	10	BBGE	
COC[C@H](COCC1(C(=O)NN)CCC1)OC	2216535328	ZBJXDNGNSSFXLD-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1(CCO)CC1	2217183865	LIZCEIRGGJXFIY-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
CC[C@@H](C)[C@@H](CN)Oc1ccc(B(O)O)cn1	2217187692	CKXTVLAWHJEZEG-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
CC1(C)C[C@H](Nc2cc(B(O)O)ccn2)[C@H]1O	2217195154	GGVMZNGULCNIKP-WCBMZHEXSA-N	236.080	-0.667	50	10	BBGE	
OB(O)c1ccc(NC[C@@H](O)C2CCC2)nc1	2217203748	ZWVKJGJGMPSMAO-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
CC1(C)CC(Cn2cc(B(O)O)cnc2=O)C1	2217409398	RQLNTGNCWCQFPJ-UHFFFAOYSA-N	236.080	-0.641	50	10	BBGE	
N[C@@H]1CCN(c2cc(B(O)O)ccn2)C2(CC2)C1	2223627315	MHXWUFCWISEACH-SNVBAGLBSA-N	247.107	-0.779	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@H](O)C[C@H]2C3)nc1	2223627716	NHOXRSPRGABDRY-IEBDPFPHSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccnc(N2CCN3CCC[C@@H]3C2)c1	2223628153	PHFYGDXPXDMUEN-LLVKDONJSA-N	247.107	-0.954	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@]23CCOC3)c1	2223632526	KXUQDGBXSBDIOB-GFCCVEGCSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3CCC[C@@H]32)[nH]c1	2223633833	BTBAFODDIJAROJ-QXEWZRGKSA-N	247.107	-0.574	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1F	2223640895	NREJKSNXWXAVIF-CAIYEOCHSA-N	248.066	-0.033	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2223672612	GVJRGPWSFISCJT-MBENIPJFSA-N	244.103	-0.148	50	10	BBGE	
COC1CC2(C1)CN(c1cc(B(O)O)ccn1)C2	2223673437	KJCNTJWUAXUPBQ-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
CC[C@]1(N)CCCN(c2ccc(B(O)O)cn2)C1	2223679843	VFWNFEXSCPLLQF-LBPRGKRZSA-N	249.123	-0.531	50	10	BBGE	
CCN(O)C(=O)c1cscc1B(O)O	2241481816	WFJOIRCLPAXXCO-UHFFFAOYSA-N	215.039	-0.721	50	10	BBGE	
COc1ccc(N2CC(=O)OC(=O)C2)cn1	2243333413	ZJLATPNPVNLQSP-UHFFFAOYSA-N	222.200	-0.020	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2243347112	HLSFMTMMXMXCPF-SSDOTTSWSA-N	223.037	-0.416	50	10	BBGE	
CC1CC(C)(CN(C)C(=O)C#CB(O)O)C1	2243356491	IMWPNXDZJRRSEH-UHFFFAOYSA-N	223.081	-0.104	50	10	BBGE	
CN(C)C1(CNC(=O)C2(B(O)O)CC2)CC1	2243363674	KKKPBENUNGKUJL-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CC(C)C1	2243382567	QCYGXXGVCJYPSS-UHFFFAOYSA-N	239.105	-0.172	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243393025	ZNZJHHCMKMKYDH-XRBOHMRVSA-N	227.069	-0.875	50	10	BBGE	
O=C(NCC1(O)CCCC1)[C@H]1C[C@@H]1B(O)O	2243396650	PALSGLIUIZELLI-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397061	UYLKLYZTNDMZAW-VGMNWLOBSA-N	226.085	-0.988	50	10	BBGE	
C[C@@H](C[S@](C)=O)NC(=O)C1CC(B(O)O)C1	2243397147	WKLVCUYXVSLGQY-UYDAKAKISA-N	247.125	-0.877	50	10	BBGE	
C#CC1(CNC(=O)C2(B(O)O)CCC2)CC1	2243398716	SORFGXYBVWFZOK-UHFFFAOYSA-N	221.065	-0.087	50	10	BBGE	
N#CCCCNC(=O)c1sccc1B(O)O	2243407390	QUUUWPLAUGTDEY-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
CN(CC1(N)CC1)C(=O)C1(B(O)O)CCC1	2243409474	IPNYBVMXVLLJCC-UHFFFAOYSA-N	226.085	-0.667	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cocc1B(O)O	2244212836	VVVQRXZWEQEFHC-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)co2)C1	2244219941	UFLSFFYHKJMQNE-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=CCN(OC)C(=O)c1csnc1B(O)O	2244265749	SGDWJCBSFIBPJB-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
OB(O)c1cc(N[C@H]2C[C@@H](O)C2)ncc1Cl	2245913525	SXWQWBXKPMZXPJ-OLQVQODUSA-N	242.471	-0.650	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1csc(B(O)O)c1	2247743366	CIVHWCHDLSNPRW-SECBINFHSA-N	249.100	-0.334	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCCCC1(F)F	2247748200	ZHIFRROKVWZNHX-QMMMGPOBSA-N	245.034	-0.057	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2occc2B(O)O)[C@@H]1C	2247750299	HFLYNFBFZFWKDM-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
C=C1CN(C(=O)c2cccc(F)c2B(O)O)C1	2247752355	NSFPPOTXPUJZBF-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1C[C@H]1F	2247752622	SMCMLHRLNBBRCE-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
C[C@@]1(CO)CCCN(C(=O)C2(B(O)O)CC2)C1	2247755924	RHNUQXYMZXHRKS-SNVBAGLBSA-N	241.096	-0.386	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)cn1C	2247762239	CRCDTTXFONZXEF-IONNQARKSA-N	236.080	-0.767	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2247769277	GPCKEDQKMDZIGY-QMMMGPOBSA-N	234.064	-0.757	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC[C@@H]1CF	2247784928	CSTCXZYHINZFFT-YIZRAAEISA-N	245.059	-0.564	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@]2(CO)C1	2247786814	GXZACXOFGZDNPS-SDNRWEOFSA-N	239.080	-0.920	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)[C@H]1C[C@H](B(O)O)C1	2247793853	ZWZVALKBYNKBFH-GUBZILKMSA-N	241.096	-0.483	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@]1(C)CCOC1	2247796867	DOCVCNIQPFQSJX-AMUVOQDHSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)C2O	2247799660	GRLRSLGADJMCJG-FLZHQEHWSA-N	239.080	-0.921	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2C(=O)[C@H]1C[C@@H]1B(O)O	2247807494	INZUYQCYKSJLIT-KATARQTJSA-N	238.096	-0.988	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	2247809232	YKCSCTPUIQDGTA-DTWKUNHWSA-N	240.112	-0.598	50	10	BBGE	
NC[C@]1(F)C[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247809503	PTEDXTRNAFXAGH-QHOPCYEYSA-N	244.075	-0.958	50	10	BBGE	
CC[C@]1(C)C[C@@H](N(C)C(=O)C#CB(O)O)CO1	2247850102	JUHNUFZIHROMBK-MWLCHTKSSA-N	239.080	-0.582	50	10	BBGE	
CC[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247872319	QHXLHGHOOILYQX-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
O=C(N1CC(n2cccn2)C1)C1(B(O)O)CC1	2247877850	FITQHZGOQDWRIJ-UHFFFAOYSA-N	235.052	-0.727	50	10	BBGE	
CC1(C)C[C@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248568161	MVBGXAPNYNWRHE-DGAHNEANSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)C1(B(O)O)CC1	2248577712	OPFBEWRQLRADIM-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248579612	RSCMDGJOUCXZOX-PRJMDXOYSA-N	243.068	-0.439	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1cc(B(O)O)co1	2249418450	UHZMHPWBWRFAAK-YUMQZZPRSA-N	235.048	-0.655	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1cocc1B(O)O	2249419472	HRWKDOAZAGGYLD-BQBZGAKWSA-N	235.048	-0.655	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)C(=O)c1cc(B(O)O)co1	2249419709	KOYSDDYWNWFCAM-POYBYMJQSA-N	241.027	-0.611	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2249420849	ZFSJPQPAMSCPSZ-WRWORJQWSA-N	235.048	-0.559	50	10	BBGE	
COCC1(C(=O)NCCC#CB(O)O)CCC1	2249999974	CASLRWJTIVPQFP-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
Cc1cccnc1NC(=O)c1cc(B(O)O)c[nH]1	2255464182	SLPFHEWKINNLGD-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2255473986	PDUMRLUPRNBLHW-SNVBAGLBSA-N	249.075	-0.004	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1ncccc1B(O)O	2255722331	NISVCJQYSCFVSL-SECBINFHSA-N	246.075	-0.448	50	10	BBGE	
C=C1CC(NC(=O)c2ncc(B(O)O)cc2C)C1	2257488338	VYFRTLSDBPDGOA-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]1C1CC1	2258142246	CUEUXNDACYEFTG-NSHDSACASA-N	249.075	-0.026	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C[C@@H]1CC[C@H]1C(=O)NN	2298165345	VAQGDTNYAQFKGX-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)[C@H]1C[C@H](B(O)O)C1	2298371211	CYAGMYBYEUJIHY-WYCDGMCDSA-N	239.080	-0.610	50	10	BBGE	
COc1ccn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	2298955482	RLWNAZTXAWDXCG-IONNQARKSA-N	237.259	-0.517	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300370809	NHKOXMPWOVYUJL-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1ccoc1B(O)O	2301197929	KREJCBHUAWXDDO-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
C[C@@H](COc1ccccc1C(N)=O)C(=O)NN	2301605943	RJRNICADCKFGOR-ZETCQYMHSA-N	237.259	-0.210	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2302496419	KUYPOEFABJCCOS-VWYCJHECSA-N	243.351	-0.049	50	10	BBGE	
O=C(c1ccc(F)nc1)N1CC[C@H](B(O)O)C1	2303112682	AGCWJRIONAKCIX-QMMMGPOBSA-N	238.027	-0.090	50	10	BBGE	
CCCN(CC(N)=O)C[C@](C)(CC)C(=O)NN	2303419899	LDDNGEAYUKRPDS-NSHDSACASA-N	244.339	-0.410	50	10	BBGE	
COC[C@@H](C)N(C)c1cc(B(O)O)c(F)cn1	2303834842	MSDDJFWKKZFDBF-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
C[C@@H]1C[C@H](Nc2cc(B(O)O)c(F)cn2)CN1	2303847732	NHMIVZPTWJWZEA-RQJHMYQMSA-N	239.059	-0.937	50	10	BBGE	
C[C@@H](CCCO)Nc1cc(B(O)O)c(F)cn1	2303847925	QGXYRDRWWJVHCM-ZETCQYMHSA-N	242.059	-0.527	50	10	BBGE	
CC1(N)CC(Nc2cc(B(O)O)c(F)cn2)C1	2303848330	XQYXMCHQNMQUMG-UHFFFAOYSA-N	239.059	-0.808	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)c(F)cn1)[C@H](C)N	2303858751	PQDVEUGYUFZVND-RCOVLWMOSA-N	242.059	-0.595	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1[C@H]2CN[C@@H]1C2	2317150185	BQWMNMRRUPVOQG-FXAINCCUSA-N	243.075	-0.990	50	10	BBGE	
CC[C@H](CNC)Oc1ccc(B(O)O)cc1C#N	2317201455	PBSRIEQJKXZNTO-LLVKDONJSA-N	248.091	-0.385	50	10	BBGE	
C[C@@]1(C#N)CCN(c2cc(B(O)O)c(F)cn2)C1	2320789128	WMFWGGJKWCPFKS-NSHDSACASA-N	249.054	-0.360	50	10	BBGE	
Cc1nc(C)c([C@H](C)NC(=O)C(=O)NN)s1	49540300	JGHHJTUKRHMKBO-YFKPBYRVSA-N	242.304	-0.073	50	10	BBGE	
C[C@H](CN(C)CCN(C)C)C(=O)NN	58837513	OXRDBQAICRKQBS-MRVPVSSYSA-N	202.302	-0.894	50	10	BBGE	
CCNC(=O)CN(CC)C[C@@H](C)C(=O)NN	82471193	QZKBCJQCAXRUAW-MRVPVSSYSA-N	230.312	-0.930	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@@H]1CO	86313606	VUCUAZHFVCNBRQ-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@@H]1C(N)=O	93072085	KZIHNXQIVAZDBL-DJLDLDEBSA-N	242.323	-0.659	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@H]2CO)c1	113185823	RMHWYMUHCRCBQK-VIFPVBQESA-N	239.275	-0.160	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCn2cnnc2C1	132830029	VXEKLWNLCHQPQG-LURJTMIESA-N	230.655	-0.214	50	10	BBGE	
Cc1nn(-c2cccnc2)cc1B(O)O	203845242	DBUXLNJVDWOZQV-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467880	ZBPJTGIGICBNAK-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
ClCCn1nnc(N2CCOCC2)n1	219198922	BKPSKAKAYLADIV-UHFFFAOYSA-N	217.660	-0.252	50	10	BBGE	
CCN(C(C)C)[C@H](COC)C(=O)NN	232419102	VAQDFELXNSICSR-MRVPVSSYSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H](CN1CCO[C@H](C)C1)C(=O)NN	251815974	OSTFMUIVVSLMGH-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)[C@H]2CCCO2)C1	294089759	XSQBOZYMJWIEBM-MRVPVSSYSA-N	226.232	-0.708	50	10	BBGE	
CCNC(=O)CS(=O)(=O)CCCl	300795464	ZQXDQPHALAEUTL-UHFFFAOYSA-N	213.686	-0.224	50	10	BBGE	
CN(CCOCCO)C[C@@H](O)CCl	300990436	FUSINJURBBRHPI-QMMMGPOBSA-N	211.689	-0.473	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H]1CC[C@H](C(=O)NN)O1	302632250	TWKIYOALRWQMFR-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
O=[N+]([O-])c1nc(Br)ccc1B(O)O	307076308	LDBUKXKYJAIWLE-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
NNc1cc(CCl)ccc1B(O)O	307093816	DRRYHBQIBUDWKF-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
NCC(=O)NNC(=O)c1ccccc1O	379803949	NFTJRSVSELBDOR-UHFFFAOYSA-N	209.205	-0.888	50	10	BBGE	
COc1cc(B(O)O)cc([C@@H]2CCCNC2)c1	382637609	HSSVWRPTAFGREI-SECBINFHSA-N	235.092	-0.158	50	10	BBGE	
CN(C)C1[C@@H]2CN(CC(C)(C)C(=O)NN)C[C@@H]12	384775421	PPXJTEQGJCIEHN-RKDXNWHRSA-N	240.351	-0.506	50	10	BBGE	
O=C(O)CCc1c(B(O)O)cccc1C(=O)O	396128674	BASBVTPPZGVRPV-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H](C)C[S@](C)=O	399975255	KSBRROBUZXNKNF-LGZSNQIQSA-N	249.380	-0.156	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)[C@H](CC)CO1	403817758	MIFZHEPZTXKPHM-HTQZYQBOSA-N	229.280	-0.608	50	10	BBGE	
Cc1cc(NC(=O)c2cc[nH]n2)cc(B(O)O)c1	404924034	YHVARKSSDBBUON-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CCN(C)C(=O)Nc1ccccc1B(O)O	405088506	UXBLIYUREQNEPJ-UHFFFAOYSA-N	222.053	-0.150	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@H](C)CC(=O)NN	689809345	GCLHUGGDEHXQDN-SCZZXKLOSA-N	233.312	-0.916	50	10	BBGE	
CN(CC(=O)O)C(=O)N1CCC(O)(C#N)CC1	692119858	GQGXELNDSGTXIK-UHFFFAOYSA-N	241.247	-0.527	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@@H]1COC[C@H]1O	708125134	UCBFCUDCNIQVQX-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)COC1CC1	716964396	NUGMOCNBHXNLMS-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COC[C@@H]3C2)c1	718182212	HJZBERPEYCWOEO-RYUDHWBXSA-N	247.103	-0.555	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H]2[C@@H](C1)[C@@H]2C(=O)O	721772098	VMBISQAKMINGJO-BWZBUEFSSA-N	227.264	-0.175	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	733776892	UVAAHCXYNQEXSY-GJMOJQLCSA-N	227.264	-0.096	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cnn2cccnc12	755690072	VMQVOIUHXMBEDZ-UHFFFAOYSA-N	246.274	-0.259	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNC(=O)C(C)(C)O	768245581	CSHDTNWCUIWXEV-JGVFFNPUSA-N	244.291	-0.423	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)C2CC2)C1	895462316	MINCQBJTDPHKTD-POYBYMJQSA-N	212.249	-0.031	50	10	BBGE	
CCCNC(=O)NNC(=O)c1cn(C)nn1	1261217034	VPAKVCQPRBLXNW-UHFFFAOYSA-N	226.240	-0.831	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)Cc1ccccn1	1328207402	BSUBZUVPEUMVLU-LBPRGKRZSA-N	249.270	-0.292	50	10	BBGE	
CON=CC(=O)NNc1nnc(C)n1C	1329198058	WQQMQXZCFSHLPR-UHFFFAOYSA-N	212.213	-0.801	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccnn1	1546084269	AIFHMTLTYSDGGI-RITPCOANSA-N	221.220	-0.959	50	10	BBGE	
CCO/C=C\C(=O)NN(C)C[C@H](C)O	1642192818	NGSXGZMVZGLONX-SLGIHZDVSA-N	202.254	-0.120	50	10	BBGE	
O=C(NC1(CO)COC1)[C@@H]1C[C@H]1Cl	1883640322	SGBAAMUERAGPON-PHDIDXHHSA-N	205.641	-0.509	50	10	BBGE	
CN(CC1(F)CCC1)C(=O)C(=O)NN	1884999387	OOQMBFGRNSBNFU-UHFFFAOYSA-N	203.217	-0.673	50	10	BBGE	
COC[C@]1(F)CCN(CC(=O)NN)C1	1885377913	HXTNIZZADGAKSY-QMMMGPOBSA-N	205.233	-0.963	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1CF	1886123165	UDIYPXOZGNDWHF-SSDOTTSWSA-N	205.233	-0.963	50	10	BBGE	
CC[C@H](OC[C@@H]1CCN1C)C(=O)NN	1886370198	IXMZYSAHMMXGHS-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@H]2COC[C@H]21	1886757828	CUBWAQZBKDQILH-NTSWFWBYSA-N	218.640	-0.208	50	10	BBGE	
C#C[C@H](CCl)NC(=O)CS(=O)(=O)CC	1887962351	MBKJUBNINABOSH-SSDOTTSWSA-N	237.708	-0.222	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1896280602	XMTICOBENARWED-UTLUCORTSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](CN)SC[C@]12C[C@](C(=O)NN)(CO1)C2	1897833436	RWTRDDWREUWKSS-SZEHBUNVSA-N	245.348	-0.394	50	10	BBGE	
OB(O)c1ccccc1COC[C@@H]1CCO1	1901307038	KASCETXXUNTDFV-JTQLQIEISA-N	222.049	-0.328	50	10	BBGE	
O=C(O)[C@]1(NC[C@H]2C[C@@H]2Cl)CNCCOC1	1904376562	ATVLMSGZTGRZFR-WEDXCCLWSA-N	248.710	-0.354	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C(=O)C[C@@H](C)O1	1905545155	IOUOBAGGRQYNBL-YIZRAAEISA-N	243.307	-0.219	50	10	BBGE	
CC(C)CCN(CCO)CCC(=O)NN	1924503045	VMWKBOMCCZNWIZ-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@H]1C1CC1	1927933867	ISSSOTIBMSROSU-APPZFPTMSA-N	213.281	-0.524	50	10	BBGE	
COCC1(C(=O)NCB(O)O)CCCC1	1927958047	SLBQXEIBMZLPLU-UHFFFAOYSA-N	215.058	-0.679	50	10	BBGE	
NNC(=O)N1C[C@@H]2[C@H](CCCS2(=O)=O)C1	1928035295	RTFMFPVLPLFOEX-RNFRBKRXSA-N	233.293	-0.921	50	10	BBGE	
CN1CCN(CC(=O)NN)C(C)(C)C1	1930666985	KHXSJPDQTKOJSK-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)C1(Cn2ccsc2=O)CC1	1931266409	FLEJIDGIHBYHEM-UHFFFAOYSA-N	213.262	-0.320	50	10	BBGE	
COC[C@H](NC(=O)C(C)(C)CCl)C(N)=O	1932166833	WKOXQIUZTHSKKP-LURJTMIESA-N	236.699	-0.132	50	10	BBGE	
Cc1cnc(SCCOCC(=O)NN)[nH]1	1933434184	LJFHTJBPSIRGBN-UHFFFAOYSA-N	230.293	-0.183	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936079337	FJERDAYXPBIBLI-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CC(C)C1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092030	QENHFMJXCDLSGK-DTWKUNHWSA-N	227.308	-0.685	50	10	BBGE	
O=C(Cn1cncn1)N1CCOC[C@H](Cl)C1	1937145553	KXIOGYYKWYGYJH-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
Cc1oc(CN2CCC2=O)cc1C(=O)NN	1937409149	LPKWDBHLYHROAU-UHFFFAOYSA-N	223.232	-0.076	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3C(CCl)[C@H]3C2)n1	1937459860	AJHBCDDYKHYOCH-RNFRBKRXSA-N	241.682	-0.233	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CC2)C[C@@H]1O	1938246687	KPZXDQLUMAUEMF-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)[C@H](OC[C@H]1COCCO1)C(=O)NN	1939102818	VFHHOSAXXAKXPD-BDAKNGLRSA-N	232.280	-0.567	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C[C@H]2C[C@H]2C(=O)NN)C1	1939553206	QTLBELKYVPERJM-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1C(=O)N(C)C)C(=O)NN	1940291588	MZOIHBUXTDVFLO-RKDXNWHRSA-N	242.323	-0.835	50	10	BBGE	
CN(Cc1ccnn1C)C[C@H]1C[C@H]1C(=O)NN	1941086281	ICGJZFBZDHLALV-PSASIEDQSA-N	237.307	-0.522	50	10	BBGE	
COC[C@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941090449	ZVIRBQMFHZRCCG-HOSYDEDBSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@]12CCOC2)C(=O)NN	1950637869	DAANJDKMENCIEZ-SCVCMEIPSA-N	241.335	-0.029	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1cnc2cnccn12	1953026423	NDAJJPAFJHQURL-CBAPKCEASA-N	203.205	-0.386	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)C[C@H](O)CCl	1955445621	IIEHKTAVFXALBN-XHNCKOQMSA-N	225.716	-0.350	50	10	BBGE	
OCCO[C@@H]1CCN(C[C@H](O)CCl)C1	1956308633	DWDMVQJMCCKAFZ-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
O=C(CCl)NC(=O)N1CC2(CCO2)C1	1956886303	UFOPQVUVAKLCPO-UHFFFAOYSA-N	218.640	-0.064	50	10	BBGE	
CC(C)COC1CN(CCC(=O)NN)C1	1958194321	PCQAPXLYRSGQRH-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
CC1(C)CN(S(C)(=O)=O)[C@H](N=C=O)CO1	1960421321	SWWZKENOCJHBIF-ZETCQYMHSA-N	234.277	-0.281	50	10	BBGE	
NC(=O)NCCCNC(=O)NC(=O)CCl	1960712160	LQLNYBZSHVWJLK-UHFFFAOYSA-N	236.659	-0.891	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H](O)C1CCCC1	1979849677	QPEODBKIISRPFR-PSASIEDQSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC[C@@H]1CO	1984127668	CEVZCNXNACAREV-SSDOTTSWSA-N	237.250	-0.542	50	10	BBGE	
CN(CCCC(=O)NN)[C@@H](CCO)C(F)F	1984132090	MXVWJWIJVXPTEN-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
COC[C@@]1(F)CCN([C@@H](C)CC(=O)NN)C1	1984647549	XRUYXOKGMHFTOE-WCBMZHEXSA-N	233.287	-0.185	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)s1	1985738441	AIWCBFXUNODRPA-HTRCEHHLSA-N	241.316	-0.083	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC2(C1)OC[C@H](O)[C@H]2O	1986229907	CLLGUICCGYGSJE-BIIVOSGPSA-N	249.694	-0.663	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1[C@@H](C)[C@H]1C	1990774837	NVMQQUMFZHCLGE-MBTKJCJQSA-N	227.308	-0.013	50	10	BBGE	
O=C1N[C@]2(CCNC2)C(=O)N1C[C@@H]1C[C@@H]1Cl	1991439014	PKDCUMHSMBEXOM-BYULHYEWSA-N	243.694	-0.102	50	10	BBGE	
O=C1[C@@H]2CNCCN2C(=O)N1C[C@@H]1C[C@@H]1Cl	1991441673	IBTUHHOCUMSTOO-FXQIFTODSA-N	243.694	-0.150	50	10	BBGE	
O[C@H](CNC[C@@H]1C[C@@H]1Cl)CN1CCOCC1	1991441953	JOPZFBFQUYNUHY-AXFHLTTASA-N	248.754	-0.104	50	10	BBGE	
C=C(CN1CCc2ccn(C)c2C1)B(O)O	1992154438	YKMBZPWZMMBWDX-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]2[C@@H]1C2(F)F)C(=O)C(=O)NN	1996489170	XJVNDJBUTRKTRY-RRKCRQDMSA-N	247.245	-0.274	50	10	BBGE	
CC[C@@H]1CNCCCN1CC(=O)NNC(C)=O	1996963194	FSRHRAFQLYWSIB-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]1CCC(=O)O	2001247271	WEZHIOHUCNIYTR-MRVPVSSYSA-N	243.263	-0.907	50	10	BBGE	
C[C@H](CCC(=O)NN)N1Cc2cnn(C)c2C1	2003027018	JYDMCJXZBFXOQF-MRVPVSSYSA-N	237.307	-0.106	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC(F)(F)C1	2003510497	VZYJXYNTSXRANL-UHFFFAOYSA-N	245.233	-0.526	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1C[C@@H](C)C(=O)NN	2003619532	HWAUCVNOTZNZOO-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC[C@H]2C)n1	2005015235	XSBFSPIZTHUVLS-MRVPVSSYSA-N	235.096	-0.156	50	10	BBGE	
C[C@@H](N(C)c1ncncc1B(O)O)C(C)(F)F	2009078832	PTRPQSJNLHZRKP-ZCFIWIBFSA-N	245.038	-0.364	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1COC2(CCCCC2)C1	2009151845	ZORQZDNRJFXDFB-QMMMGPOBSA-N	241.291	-0.416	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@@H](C2)C3)ncc1B(O)O	2021438691	ABZFCAQERSVWGO-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
CC1(C)CC[C@H]1n1cnc2c(B(O)O)ncnc21	2055737696	LAOGRUPDGJMYLC-SSDOTTSWSA-N	246.079	-0.133	50	10	BBGE	
C[C@@H](NC(=O)C1COC1)c1cccc(B(O)O)c1	2056444971	ULEQCBIEMNESIB-MRVPVSSYSA-N	249.075	-0.810	50	10	BBGE	
CCOc1c(B(O)O)c(C)nn1CC(C)C	2059961179	GWPDIGBOQPYZGN-UHFFFAOYSA-N	226.085	-0.074	50	10	BBGE	
Cc1ncc(OC[C@H]2[C@H]3COC[C@H]32)cc1B(O)O	2068626516	HDLXXAVCWLPSSZ-JGPRNRPPSA-N	249.075	-0.659	50	10	BBGE	
CN1CC[C@@H](OCc2cscc2B(O)O)C1	2211136563	UBAACRHWBVKXDO-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
C[C@H](O)CCN(C)CC1(C(=O)NN)CCC1	2212249223	MYMGUJLVWXFRMT-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CCOCC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215776547	NLUJLCITGWVIJJ-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
CN(CC1CC(O)C1)CC1(C(=O)NN)CCC1	2216527716	GSWXNYFTMOUOMB-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CCCO)CN=c1ccc(B(O)O)c[nH]1	2217177559	KHMGFRJLKRNGAL-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CCC2(F)F)[nH]c1	2217180203	FWSDTQVWUMSCEN-ZETCQYMHSA-N	242.034	-0.360	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2cc(B(O)O)c(C)cn2)C1	2217183110	FSEXCNHOTGKNNH-AOOOYVTPSA-N	230.076	-0.106	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)[C@H]1CCNC1	2217183610	MBJWUCAPYVTLCI-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCCNC2)c1F	2217183847	ORBOKJRUCHNDCK-SSDOTTSWSA-N	239.059	-0.936	50	10	BBGE	
CC1(C)C[C@H](N)[C@@H]1Oc1ccc(B(O)O)cn1	2217188680	RVVSWZFYSYOILT-WPRPVWTQSA-N	236.080	-0.734	50	10	BBGE	
CC[C@@]1(Nc2ncccc2B(O)O)CCNC1	2217200380	KAYTUOOOLLBWCP-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C(C)(C)O	2217200584	UFIUZESMBLHCLE-QMMMGPOBSA-N	239.084	-0.882	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)C[C@@H](C)O	2217202987	ODTRIMOCYRTUBW-DTWKUNHWSA-N	238.096	-0.998	50	10	BBGE	
OC[C@@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2220063842	ALLXOVIQXZXCAJ-YPMHNXCESA-N	247.103	-0.819	50	10	BBGE	
C[C@H]1C[C@H]1CCn1cnc2c(B(O)O)ncnc21	2220957250	FRJAWFGFQGFYMM-JGVFFNPUSA-N	246.079	-0.448	50	10	BBGE	
NNC(=O)C1(CN2CCn3ccnc3C2)CCC1	2222616114	QQSRKSHDOOQAPB-UHFFFAOYSA-N	249.318	-0.141	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@@H](C3CC3)C2)c1	2223630245	YJYHHCTZTSKKSF-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@H](C3CC3)C2)c1	2223630246	YJYHHCTZTSKKSF-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN[C@@H]2C2CC2)nc1	2223645019	QYWLXHXCQUVRHH-CMPLNLGQSA-N	247.107	-0.686	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@H](N)C1	2223648244	JAEPEFBCETWJEF-VHSXEESVSA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2CC[C@H]1N2	2223679593	RIXLFTPYWFXPNE-IQJOONFLSA-N	247.107	-0.686	50	10	BBGE	
COCCONS(=O)(=O)N1CC(Cl)C1	2241353762	MEEVZPOHBKGBSO-UHFFFAOYSA-N	244.700	-0.678	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)C(F)F	2241473000	BGAJUNFOGWJKLW-SCSAIBSYSA-N	206.985	-0.237	50	10	BBGE	
O=C(Nc1csnn1)[C@@H]1C[C@@H]1B(O)O	2241474964	OBUCXSQNYKBPBN-DMTCNVIQSA-N	213.027	-0.661	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2242756969	HHSMHYQHTSQIJP-JBDRJPRFSA-N	249.694	-0.399	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CO1	2243347291	KWQNYGAKJUUIIG-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
CC(C)[C@@]1(C)CC(=O)N1C(=O)C#CB(O)O	2243350131	WATUYOXFILAIFO-SNVBAGLBSA-N	223.037	-0.825	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1csc(B(O)O)c1	2243357142	RULHMLYXWNMJPE-SSDOTTSWSA-N	237.089	-0.573	50	10	BBGE	
O=C(NCCC1CC1)c1ccsc1B(O)O	2243358047	BDRRSBXGCGAMCM-UHFFFAOYSA-N	239.105	-0.042	50	10	BBGE	
O=C(N1CCC(CO)CC1)C1(B(O)O)CC1	2243364548	YVCUMXDYZFLPIS-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)c(Cl)c1	2243367776	YHRKXDIKTLEZJI-UHFFFAOYSA-N	243.455	-0.299	50	10	BBGE	
O=C(N=c1cc[nH]cc1)[C@H]1C[C@@H](B(O)O)C1	2243383117	UMCJXMBIAQLPCK-OCAPTIKFSA-N	220.037	-0.305	50	10	BBGE	
O=C(NC1CC2(COC2)C1)[C@H]1C[C@@H]1B(O)O	2243392990	ZDNCANUMGJGELR-YUMQZZPRSA-N	225.053	-0.856	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@@H]1C1CCCC1	2243399881	RVJFGLBHOPNGNB-ZJUUUORDSA-N	221.065	-0.303	50	10	BBGE	
CC(C)OCCCCNC(=O)C#CB(O)O	2243401639	VAQLFNPJOYKZDA-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243404792	UOKLHFOTOYZOPA-XHNCKOQMSA-N	226.085	-0.953	50	10	BBGE	
C#CCCN(C)C(=O)c1coc(B(O)O)c1	2243409429	HUVYPCLPEMOUJC-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CCC(CC)(CO)NC(=O)C1(B(O)O)CC1	2243410632	FLCBAEZGEDGBNN-UHFFFAOYSA-N	229.085	-0.339	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H](C)[C@@H](C)C1)B(O)O	2243434437	YLPKYNRACPGVAV-YUMQZZPRSA-N	247.125	-0.528	50	10	BBGE	
C[C@H](CC(=O)O)NC(=O)C1(B(O)O)CCC1	2243752114	FQVVVMJJPAKCMD-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
CN1CC2(CN(C[C@@H](Cl)C#N)C2)OCC1=O	2245302753	KIKVJZOVAHFFIB-QMMMGPOBSA-N	243.694	-0.340	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1F)C1(B(O)O)CCC1	2247738357	QNULIRXKBYREAD-YUMQZZPRSA-N	245.059	-0.373	50	10	BBGE	
O=C(NC1(C2CC2)CC1)c1ccc(B(O)O)o1	2247743092	YYPVOJVZFDWHBA-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
CN(C)C1(C)CN(C(=O)C2(B(O)O)CCC2)C1	2247749910	BMCCLQWAUHOFAG-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
O=C(NC[C@H]1C[C@@]12CCOC2)C1(B(O)O)CC1	2247751467	YCIDTZRKFAHRDC-PSASIEDQSA-N	239.080	-0.464	50	10	BBGE	
C[C@H]1[C@@H](C)NCCN1C(=O)C1(B(O)O)CCC1	2247753091	BKMWNZXVQJKCNE-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
CC1(C)[C@@H](O)CC[C@H]1NC(=O)C1(B(O)O)CC1	2247754520	MKIXPEIWMKQNOB-SFYZADRCSA-N	241.096	-0.341	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@H]1CN	2247754621	GTHSUIHHXIULLB-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247787946	WYKCKLVJECKJPJ-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797334	IOCZBAIPWVXJBA-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
C#CCC[C@H](O)CNC(=O)C1CC(B(O)O)C1	2247800780	SRWWBPPGRZYEQN-RTBKNWGFSA-N	239.080	-0.870	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1ccoc1B(O)O	2247846829	MUWUMQUYJMDOFD-DTWKUNHWSA-N	237.064	-0.266	50	10	BBGE	
CC1(NC(=O)c2ccncc2B(O)O)CCC1	2247854790	IMKGVLUTGYDRPN-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(B(O)O)oc1C	2247870807	QGLGFNYGLRQYJH-SSDOTTSWSA-N	235.048	-0.638	50	10	BBGE	
CC[C@@H](CNC(=O)c1occc1B(O)O)OC	2247873764	GGLYDHJBZPNFSN-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
COC1(OC)CC[C@@H]1NC(=O)C1(B(O)O)CC1	2247874614	NNQLTZWEKAHLHS-ZETCQYMHSA-N	243.068	-0.739	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@@H]1N	2247877197	DDIRASVUMCSZAI-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H](O)C1)C1(B(O)O)CC1	2247879859	YKZDFVKNALOOLF-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN(C(=O)C2(B(O)O)CC2)C1	2247880070	YCCBSGCVPWWTCD-DTWKUNHWSA-N	241.096	-0.530	50	10	BBGE	
NCC1CC2(CCN2C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247887027	JJEPJUYNIMZKCB-QMFGVRBNSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898728	HIYOZPZUHUIKSZ-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903774	MOHUDZPXDFUYBW-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H](O)C(C)(C)CNC(=O)C1CC(B(O)O)C1	2247904300	PMPOAFAMHRINAE-AFPNSQJFSA-N	243.112	-0.237	50	10	BBGE	
C/C=C/C[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248588353	BRKPCNCXDMEWKM-TYWZFMJISA-N	241.052	-0.471	50	10	BBGE	
CC1=CCCN(C(=O)c2cc(B(O)O)co2)C1	2249418312	RQICSQNDPZSMBM-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(B(O)O)oc1C	2249506226	ZZWWRYSRHQGUHZ-UHFFFAOYSA-N	239.036	-0.543	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@H]2CC[C@H]2C1	2249984827	AHJDJKZNORZXKJ-AOOOYVTPSA-N	236.080	-0.557	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NOCC1CC1	2255510697	ZNQNZQAUJQUUOY-UHFFFAOYSA-N	249.075	-0.254	50	10	BBGE	
Cn1cnc2c1CCN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2255577996	BSWDOJAZEOFCQF-JGVFFNPUSA-N	249.079	-0.832	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1cc(B(O)O)c[nH]1	2255672298	DRSCQQJGVJHAMD-UHFFFAOYSA-N	246.075	-0.633	50	10	BBGE	
C=C1CON(C(=O)c2ccc(B(O)O)cc2O)C1	2255951308	CLGJLGGEKNKCLX-UHFFFAOYSA-N	249.031	-0.984	50	10	BBGE	
C#CCN(CC)C(=O)c1cc(B(O)O)ccc1O	2256014608	PFYBZLMYHVHOHN-UHFFFAOYSA-N	247.059	-0.833	50	10	BBGE	
C#CCC(C)(C)C(=O)Nc1cc(B(O)O)ccn1	2256594588	ALGUTAQLDXQBRB-UHFFFAOYSA-N	246.075	-0.251	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)C1CCC1	2257490998	IYNDYZXQGSSMMD-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
Nc1ccccc1NC(=O)c1cocc1B(O)O	2258128263	OZSJUGAWZYASEU-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1cc(B(O)O)co1	2258143598	SJIPIFXUAKWROB-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@]2(CCNC2)C1	2298369289	PLHWWGJRSHEIPK-NGZCFLSTSA-N	238.096	-0.939	50	10	BBGE	
C#CCCOC(=O)Nc1ccc(B(O)O)cn1	2300783177	CVUBSMJYUTTYBH-UHFFFAOYSA-N	234.020	-0.667	50	10	BBGE	
CNCCCNc1ccc(B(O)O)cc1C#N	2301339729	WMYUDNBYSFBTAI-UHFFFAOYSA-N	233.080	-0.741	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)N1CC[C@H](B(O)O)C1	2303111882	NOFGUQVUDKHOLZ-NGZCFLSTSA-N	241.096	-0.266	50	10	BBGE	
CC(C)n1cnnc1CN1CC[C@H](B(O)O)C1	2303120794	NNVMCFJMDXAPEI-VIFPVBQESA-N	238.100	-0.092	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)c(F)cn2)CCOC1	2303848034	SHMDMJUTODTMGB-SNVBAGLBSA-N	240.043	-0.509	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@]23C[C@H](CO2)[C@H]13	2312856907	YTPWISHFRYKJCG-RBLKWDMZSA-N	249.075	-0.924	50	10	BBGE	
C#CCOCCNc1ccc(C=O)c(B(O)O)c1	2317310872	HLDOMLVTMNFLQH-UHFFFAOYSA-N	247.059	-0.759	50	10	BBGE	
C[C@H](NC(=O)C(C#N)=CNCCC#N)C(=O)O	2324982397	HEXWJFCJYHEARI-ZETCQYMHSA-N	236.231	-0.514	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)nc1	2328035511	PPTDCWMCHZIHSZ-BDAKNGLRSA-N	249.079	-0.051	50	10	BBGE	
CCN(Cc1ccncc1)C(=O)C(=O)NN	42517124	KVACMVZQNLTZKD-UHFFFAOYSA-N	222.248	-0.580	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCN1)c1ccncc1	49826403	SEOJBUPGIOKULD-VIFPVBQESA-N	234.259	-0.405	50	10	BBGE	
NNC(=O)c1ccccc1CS(N)(=O)=O	71765672	DYIKWRXAXHMLRT-UHFFFAOYSA-N	229.261	-0.921	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NN)c(=O)n1	82468330	RJYKDDDQNLOMJU-UHFFFAOYSA-N	210.237	-0.760	50	10	BBGE	
CCCCN(CC(N)=O)[C@@H](C)CC(=O)NN	82469859	AIUMLHZZKHENFU-QMMMGPOBSA-N	230.312	-0.658	50	10	BBGE	
Cc1nnc(SCCC(=O)NN)o1	82471773	AXJQSTXCZMXGTJ-UHFFFAOYSA-N	202.239	-0.150	50	10	BBGE	
CCOC(=O)CS[C@H](C)C(=O)NN	82472467	UJSNMBMPRKAFLB-RXMQYKEDSA-N	206.267	-0.339	50	10	BBGE	
N#CCS(=O)(=O)NCCBr	83919806	MMOSDUJTJOMTEF-UHFFFAOYSA-N	227.083	-0.176	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1ccnc1C#N	87344559	SAQPVSVARVCRNG-BQBZGAKWSA-N	207.237	-0.058	50	10	BBGE	
COC(=O)[C@H]1C[C@@H]1C(=O)NNc1cnccn1	114882420	FXPRBAXDIAZDMN-BQBZGAKWSA-N	236.231	-0.271	50	10	BBGE	
CN(C)NS(=O)(=O)CBr	127585458	ZCKHQALFZLDFER-UHFFFAOYSA-N	217.088	-0.265	50	10	BBGE	
CO[C@@H]1O[C@H](CCl)[C@H](Cl)[C@H](O)[C@H]1O	198834429	VPDVIMQPZYMQKN-VOQCIKJUSA-N	231.075	-0.074	50	10	BBGE	
CCc1cc2ccc(B(O)O)cc2[nH]c1=O	200727399	KGZVRLKYUSRYBW-UHFFFAOYSA-N	217.033	-0.230	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(=O)NCC	211937475	HQZHAPQBVNPPGC-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
COC[C@H](Sc1nnc(C)o1)C(=O)NN	232421181	DHOVZSYDAUPWJZ-YFKPBYRVSA-N	232.265	-0.525	50	10	BBGE	
COC[C@@H](SCC(C)(C)N)C(=O)NN	232421723	NTHSQZMPBMKHBB-ZCFIWIBFSA-N	221.326	-0.538	50	10	BBGE	
NC(=O)C[C@H](Cl)[C@H](Cl)CC(N)=O	238554869	VGTNTNKHQYLNLY-ZXZARUISSA-N	213.064	-0.048	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)c1ccccn1	309239672	AFZOHDMZKRYYAB-ZETCQYMHSA-N	222.248	-0.420	50	10	BBGE	
NNC(=O)CCn1c2c(ncc1=O)CCCC2	310093104	KEZXQBOXOQRVIE-UHFFFAOYSA-N	236.275	-0.498	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCC(F)(F)C2)O1	313313461	QTHVEUPNGSKDDQ-SFYZADRCSA-N	249.261	-0.135	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCOC[C@H]1C	313763824	YEXLYKXEWMLTII-LLVKDONJSA-N	249.119	-0.104	50	10	BBGE	
CN(CCC(=O)NN)Cc1nccs1	387656374	WTJZYBVOBUCIQH-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
CC[C@](C)(NS(=O)(=O)CCCl)C(N)=O	388662859	ANLQMUFJXBJKNJ-ZETCQYMHSA-N	242.728	-0.201	50	10	BBGE	
COC[C@@H](N)C(=O)NNC(=O)CC(C)C	390435409	RTYGABJKZBWMRL-SSDOTTSWSA-N	217.269	-0.846	50	10	BBGE	
CN=c1cc(C(=O)NN(C)C(N)=O)cc[nH]1	390461461	FYQSFMHJKNOSST-UHFFFAOYSA-N	223.236	-0.800	50	10	BBGE	
CC(C)n1nccc1NC(=O)C(=O)NN	393654317	FDGRSCLPYQYWSS-UHFFFAOYSA-N	211.225	-0.608	50	10	BBGE	
COC(=O)Cc1ccc2nc(B(O)O)oc2c1	396115287	RGHFLYMZRVEEBM-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CN(C)C2)C1	398758103	USECLEYHFJRQMG-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(C[C@@H](C)C(=O)NN)C1	398793355	GKRKRBPPUAPVMA-BBBLOLIVSA-N	229.324	-0.437	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H](C)C[S@](C)=O	399994225	VUAMPMTWOVNBGH-FWZFKDBCSA-N	235.353	-0.546	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CO[C@H](C)C1	401526685	OKCXCVCHJSQRAJ-CSMHCCOUSA-N	201.270	-0.526	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)NC1CCC1	405084707	ONMDMEABGXYZDQ-UHFFFAOYSA-N	241.081	-0.503	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1CN(C)C1	692718992	LSGIOTAKEYBWHR-QMMMGPOBSA-N	214.313	-0.752	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@@H]1CO	695086136	GQENKWVHEORBHW-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	695087076	LHVUIOINCYZOHH-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CCC1	697402125	KNSANZXJDAPZJE-UHFFFAOYSA-N	219.672	-0.243	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@]1(C)CO	698216508	SOCQVRYQWKXVFM-ZKWXMUAHSA-N	221.684	-0.042	50	10	BBGE	
CC(C)(C)n1cc(Cn2cc(B(O)O)cn2)cn1	703742539	WCONQHSBOHFQNY-UHFFFAOYSA-N	248.095	-0.437	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](CO)[C@@H](CO)C1	705328812	ICDJAJUBANWBLP-XHNCKOQMSA-N	235.711	-0.080	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706116458	URLHXTMAVIKEJN-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2CCOC[C@H]2Cl)nn1	706687074	MMYKGBFLLWZSTN-RQJHMYQMSA-N	244.682	-0.059	50	10	BBGE	
CN1CC(CN(C)CC(C)(C)C(=O)NN)C1	709599824	SYGHZEJUIBFNRY-UHFFFAOYSA-N	228.340	-0.504	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)CC[C@H]1C	713761535	XXKZIRPMFZZKCH-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
O=C1[C@H]2CC[C@@H](CN1C[C@H](O)CCl)O2	719514143	IMELABZYQFWGRS-GJMOJQLCSA-N	219.668	-0.024	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCOC2)O1	792616766	YBBZGUXPYCNNMK-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
CC(=O)NNC(=O)c1cc(C)cc(O)n1	814196064	QTMDYHKPJASPKC-UHFFFAOYSA-N	209.205	-0.123	50	10	BBGE	
CCNCCC(=O)N1CCC(O)(C#N)CC1	821981716	XVZDCUUTBHQYSK-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)[C@@H]1[C@H]2COC[C@H]21	831867688	FQYGJWIFZHFLGQ-MYJAWHEDSA-N	219.244	-0.161	50	10	BBGE	
CC#CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846381791	CFQJMKHODQESDF-HRDYMLBCSA-N	222.244	-0.275	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCCN2C)n1C	856048854	PBMFEUJYGXPOJT-MRVPVSSYSA-N	238.295	-0.339	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1	862460137	GDFLBQDAPVMJDF-HYDMIIDASA-N	239.275	-0.231	50	10	BBGE	
CCO[C@@H]1COCC[C@H]1CC(=O)NNC(C)=O	864426958	FDFAYKXWDQEKEF-VHSXEESVSA-N	244.291	-0.015	50	10	BBGE	
C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)[C@@H]1CCCO1	902551035	HCDGZSJFVOGCML-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)C[C@@H](C)O	910139487	AHIHLFYYTVTRGR-YKCGFPGDSA-N	202.254	-0.733	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)[C@@H]1CCCS1	911295306	IKPDIWCKWJCTLR-LURJTMIESA-N	246.288	-0.408	50	10	BBGE	
C=CCNC(=O)C(=O)NN=Cc1ccccn1	1084477214	OINAUMRCXXDRJY-UHFFFAOYSA-N	232.243	-0.166	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)c1ccccn1	1135619509	XUURXDYTLFZAPG-JHYPKJRRSA-N	235.243	-0.220	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)c2ccc[nH]2)c1O	1135846578	PMZHRHCCNQGCIP-UHFFFAOYSA-N	249.230	-0.173	50	10	BBGE	
COCC1(C(=O)NNC(=O)c2ncon2)CC1	1536937761	OICRHGKHKJFGSL-UHFFFAOYSA-N	240.219	-0.743	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ccc(O)nn1	1570115845	HFHVRGILMJULFQ-ZCFIWIBFSA-N	226.236	-0.860	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1ccc(O)nc1	1629174898	LISPSBLBLNTUHE-UHFFFAOYSA-N	247.214	-0.415	50	10	BBGE	
NC(=O)NC1(C(=O)NNc2ccncn2)CC1	1641048683	ZMFNPIABNFKWGL-UHFFFAOYSA-N	236.235	-0.879	50	10	BBGE	
NC[C@H](OC[C@@H]1C[C@H]1Br)C(N)=O	1877446501	MGKNKRKCQCPXRY-JKUQZMGJSA-N	237.097	-0.401	50	10	BBGE	
NCC(=O)NC[C@H]1C[C@H]1Br	1880107430	MDFLKJSGPBAMNX-RFZPGFLSSA-N	207.071	-0.155	50	10	BBGE	
Cl[C@H]1C[C@@H]1CNCCn1cnnn1	1883567499	PKHDOXUNYLKWPX-RQJHMYQMSA-N	201.661	-0.110	50	10	BBGE	
N[C@H]1C[C@H]1CNC(=O)C=CC(=O)Cl	1883626553	IDRBSJNLZSSHLA-WDSKDSINSA-N	202.641	-0.229	50	10	BBGE	
O=C(Cl)/C=C/C(=O)Nc1nn[nH]n1	1883647499	NHEUPPSBPQJATL-OWOJBTEDSA-N	201.573	-0.540	50	10	BBGE	
C[C@@]1(CCl)CN(CC[C@H](O)CO)C1=O	1885778777	XCXDCBRBXUTJBG-IONNQARKSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](CN1CC[C@@H]1[C@@H](C)O)C(=O)NN	1885791153	RGLGYRWQNXJOAB-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CS[C@@H](C(=O)NCB(O)O)C1CC1	1886738032	LFZSEBWUKWSLCQ-ZCFIWIBFSA-N	203.072	-0.744	50	10	BBGE	
CO[C@@H](C)CN1CC[C@@](C)(B(O)O)C1	1891493406	UZCIICHDWDGHFK-DTWKUNHWSA-N	201.075	-0.040	50	10	BBGE	
C=C(CN(CC)C[C@H](C)OC)B(O)O	1895212110	NIBLDHQYTLCXPI-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
C=C(CN(C)C[C@@H]1[C@@H]2CCOC[C@@H]21)B(O)O	1897284215	RIXJJUZALPPOFH-AXFHLTTASA-N	225.097	-0.231	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@]1(C)CC	1900194309	VUJLSJWIVFHZPI-KKZNHRDASA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CCN[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901374858	WWCWAUKXDZEGSJ-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CC2(COC2)C1	1908437307	ZQDNNLXDVVKRCT-WCBMZHEXSA-N	239.319	-0.277	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1	1910655918	KPKLKTWZWIBVEV-UWVGGRQHSA-N	233.271	-0.104	50	10	BBGE	
CN(CCCCCC(=O)NN)C(C)(C)C(N)=O	1915523398	HRVIIJXXVDXREX-UHFFFAOYSA-N	244.339	-0.268	50	10	BBGE	
CN(C)NC(=O)c1ccc(C(N)=NO)nc1	1922317258	NRTZDIXELNXAGF-UHFFFAOYSA-N	223.236	-0.618	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C(F)(F)F	1923418967	TWUHAYOGFJXBFB-BYPYZUCNSA-N	200.160	-0.108	50	10	BBGE	
CN(CC(C)(C)O)CC(F)(F)C(=O)NN	1927816650	QBFZLEBIJKYVAC-UHFFFAOYSA-N	225.239	-0.686	50	10	BBGE	
C[C@@H](O)CCN(C)CC(F)(F)C(=O)NN	1927816775	ROKDFVHAKSMIGG-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
O=C(NCc1ccccc1)NNCCO	1929841141	BXROBWWKDMONRP-UHFFFAOYSA-N	209.249	-0.017	50	10	BBGE	
O=C=NS(=O)(=O)N1C[C@H]2CC[C@H]2C1	1929938602	HJPQLABNQSSACN-KNVOCYPGSA-N	202.235	-0.091	50	10	BBGE	
O=C1CN([C@@H]2[C@H]3CCOC[C@H]32)CC(=O)O1	1930475653	FRYPIGXHTZUBNR-NYNCVSEMSA-N	211.217	-0.593	50	10	BBGE	
Cn1cc(Cl)c(C(=O)NNC(N)=O)n1	1930867996	FYDDJRHRDMAAQA-UHFFFAOYSA-N	217.616	-0.613	50	10	BBGE	
C[C@@H](CN1CC[C@H]2C[C@H]1CO2)C(=O)NN	1932589332	NZTPJBOJBXGWNG-CIUDSAMLSA-N	213.281	-0.524	50	10	BBGE	
CC1(C)[C@@H](C(=O)NCB(O)O)C1(F)F	1933038512	IBCRHLDZJMNIEF-SCSAIBSYSA-N	206.985	-0.594	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2COC[C@H]2C1	1936083768	JYXOJVCWAGULRK-AXTSPUMRSA-N	225.292	-0.809	50	10	BBGE	
CON(C)C1CN([C@@H](C(=O)NN)C(C)C)C1	1936112224	WUKQUZZBKYWLRN-SECBINFHSA-N	230.312	-0.822	50	10	BBGE	
C[S@@](=O)N1CCc2ccc(B(O)O)cc2C1	1937506775	XXLUAWLZFCFBME-MRXNPFEDSA-N	239.105	-0.982	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=NC[C@@H](O)CF)[nH]1	1937667800	CJVWNKKICMYCOV-YFKPBYRVSA-N	249.677	-0.770	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1CCOCC(=O)NN	1941784325	NLDHSGAKLTZYGF-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945884138	LXYNVWCZUHQMOZ-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CCN1CCCN(CC2(C(=O)NN)CC2)CC1	1945889853	WKPNTTJVXIUINL-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CO[C@@H]1CCO[C@@H](CN2CC(=O)OC(=O)C2)C1	1948576723	HDIAWERRRSPOQA-RKDXNWHRSA-N	243.259	-0.434	50	10	BBGE	
CCN(CC)[S@](C)(=O)=NC(=O)NN	1953874381	JHJVSUQDKZLQGO-CYBMUJFWSA-N	208.287	-0.076	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC[C@](C)(O)CO	1954239663	OUOALYYEWANZST-SVRRBLITSA-N	209.673	-0.137	50	10	BBGE	
O=C1CN(Cc2cnsn2)CC(=O)O1	1955043150	ACWJJKJLMPRENO-UHFFFAOYSA-N	213.218	-0.577	50	10	BBGE	
NNC(=O)CCN1CCC[C@](F)(CO)C1	1957837533	YDHJDSSMNLCSOS-SECBINFHSA-N	219.260	-0.837	50	10	BBGE	
CCCOC[C@H]1CCN(CC(=O)NN)C1	1958318280	YNYXDHNBIHXITP-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@H](SCCOCCN)[C@@H](C)C(=O)NN	1961087329	OBEJDMMCKUIKOB-SFYZADRCSA-N	235.353	-0.291	50	10	BBGE	
CC1CC(Oc2ccncc2B(O)O)C1	1961713337	SNIGDEQLHMELTB-UHFFFAOYSA-N	207.038	-0.061	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CCO[C@H]1C(N)=O	1962120572	BKFZRYNVZXYENK-DSYKOEDSSA-N	234.683	-0.380	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCc1nnnn1C	1974681987	UVULKGVESBEVKW-LURJTMIESA-N	231.687	-0.114	50	10	BBGE	
NNC(=O)C(=O)NCCSc1ccccc1	1978831432	FIKOKQKNRBTKLJ-UHFFFAOYSA-N	239.300	-0.115	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)c1ncc[nH]c1=O	1979658453	SDMFAWOLVVAUMZ-NTSWFWBYSA-N	243.650	-0.494	50	10	BBGE	
CC(C)[C@H](O)CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1979849319	NNJLVVAXLZMDRO-LPEHRKFASA-N	229.324	-0.439	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CSC1COC1	1980595365	YANKMWVVMWPESR-UHFFFAOYSA-N	242.304	-0.344	50	10	BBGE	
CCN(CC)CCN(C)C[C@H](C)C(=O)NN	1980752487	BCHITDQSOKFJLF-JTQLQIEISA-N	230.356	-0.114	50	10	BBGE	
OB(O)c1cc(Cl)cnc1O[C@@H]1CCOC1	1981424486	UKBCRMUMHVVOQU-SSDOTTSWSA-N	243.455	-0.418	50	10	BBGE	
CO[C@H]1CCCN(c2nc(B(O)O)cs2)C1	1981472665	SLOZLLKPQYYVNI-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
C[C@@H]1CN(CCC(F)(F)C(=O)NN)C(=O)O1	1984121711	IHLBDXBSUQWXDN-RXMQYKEDSA-N	237.206	-0.158	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC[C@H]2C[C@H]12	1985698270	AYXHNVSRJHHRAY-XHNCKOQMSA-N	225.292	-0.081	50	10	BBGE	
CN(Cc1cccc2ncnn12)C(=O)NN	1986375281	VSMKSYOFLGRJHU-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
CN(Cc1cccn2nncc12)C(=O)NN	1986974745	IDZOVGJWSMCUIP-UHFFFAOYSA-N	220.236	-0.256	50	10	BBGE	
CC[C@@]1(C)C[C@@H](N(C)C(=O)C(=O)NN)CO1	1988316674	VMXSVDZIRYSNKV-XCBNKYQSSA-N	229.280	-0.608	50	10	BBGE	
C[C@@H](CN(C)CC12CC(CO1)C2)C(=O)NN	1989833849	NLOSWUAARCBCOS-SILCLGDVSA-N	227.308	-0.277	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12CCOC[C@@H]1C2	1990376909	CTEHSIDDXZAWGJ-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
C=CC1(O)CN(CCC(C)(C)C(=O)NN)C1	1990554537	BFDSCDPEXSIDJR-UHFFFAOYSA-N	227.308	-0.375	50	10	BBGE	
CC[C@H]1OCC[C@@H]1C(=O)NCC=CB(O)O	1991327540	QXGHPBUVJWQINP-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)[C@@H]1C[C@@H]1Cl	1991678362	QEOCQPMOVOAPQC-VWBKZFDMSA-N	245.706	-0.140	50	10	BBGE	
O=C(C[C@]12CCC[C@H]1C2)NCC#CB(O)O	1992140612	JYGISQJGVNQCMS-GXSJLCMTSA-N	221.065	-0.302	50	10	BBGE	
O=C(CCC(F)F)Nc1ccc(B(O)O)cn1	1996647414	MFTDNSSAHQGVIE-UHFFFAOYSA-N	244.006	-0.255	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CN2CC[C@H]1C2	1996732522	ITAHSXWEZLMCRG-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(C(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	1998135271	MRLNNFYQBFMLOQ-ZETCQYMHSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N[C@H]2CCCC[C@H]21	2004290429	DJXSOZLJVFZBNA-HRDYMLBCSA-N	240.307	-0.892	50	10	BBGE	
OB(O)c1cnc(N2CC(F)(C3CC3)C2)nc1	2004916219	JDCCYVPGRQYQPJ-UHFFFAOYSA-N	237.043	-0.905	50	10	BBGE	
CCN(c1ncncc1B(O)O)C1CCCC1	2004921657	YKKQXGGLSXHNRX-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](C(F)F)C1	2004934800	IPYPBYMBOGUBLY-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
CC(C)(C)OCCOc1ncccc1B(O)O	2004951797	OVNKNYHAKGXVII-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(N2CC[C@H]2C2CC2)ncc1B(O)O	2004974995	SGKDTLNSBWOGBG-JTQLQIEISA-N	233.080	-0.546	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ncccc1B(O)O	2005344814	JSIVSBCMEPPYHD-MRVPVSSYSA-N	234.064	-0.088	50	10	BBGE	
COC[C@@H](OC[C@@H](C)N1CCCC1)C(=O)NN	2013809591	QOIDNNJCULTJRY-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)C2(CC2)C1	2014772601	VUZCGZOAGQCHIO-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2CC[C@H]21	2014918086	NEBJPCOTSSMQCA-GMSGAONNSA-N	236.055	-0.111	50	10	BBGE	
COC[C@H](OC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)C(=O)NN	2016500011	MQUPKZUWOMSWEU-QHAQEBJBSA-N	240.303	-0.090	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NCC=CB(O)O)C2	2020059479	NZAYWHPBZKNQOY-MFAVDMRSSA-N	239.080	-0.372	50	10	BBGE	
OB(O)c1ccc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)nc1	2026821306	RDBMFULRISPKIV-ZYUZMQFOSA-N	231.060	-0.205	50	10	BBGE	
Cc1ncc(C(=O)N[C@@H]2CCC=C2B(O)O)n1C	2076084951	OPWLTYYFIZSDBK-SECBINFHSA-N	249.079	-0.441	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2(CCO2)C1	2211839015	OUCZSKWJTDTEMZ-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
C[S@@](=O)C1CN(CC2(C(=O)NN)CCC2)C1	2212248771	FCOOQHONQDMISO-MRXNPFEDSA-N	245.348	-0.791	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CO)CCC1	2212248834	GHMWJVKKWUZEHN-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CO[C@]12CC[C@@H]1CN([C@H](C)CC(=O)NN)C2	2212352057	YHDZZAGSRKFNMM-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H](O)[C@@H](F)C1	2215771032	FTCRQBFPOPLSJP-IMSYWVGJSA-N	245.298	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COC[C@H]1COCCO1	2215771039	FUGDLWWECISXDA-IVZWLZJFSA-N	244.291	-0.566	50	10	BBGE	
CC(=O)NCCN(C)C[C@H]1CC[C@@H]1C(=O)NN	2215777703	URUXNOXHMWBMCS-ZJUUUORDSA-N	242.323	-0.930	50	10	BBGE	
CCN1CC[C@H](Oc2ccncc2B(O)O)C1	2216508764	RHMXYWGIELBZAZ-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1C[C@@H]2C[C@@H]2C1	2217176949	CIHYKTKYTFWLHH-JZYVYDRUSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)CCO1	2217179585	MUSBMJQFFUAOCB-ZETCQYMHSA-N	240.043	-0.874	50	10	BBGE	
OB(O)c1ccc(N[C@H]2COC3CC2C3)nc1	2217181983	XTQRPFIJTRUPAH-GDRRJGKNSA-N	234.064	-0.649	50	10	BBGE	
C[C@]1(Nc2ncc(B(O)O)cn2)CCCOC1	2217202622	YBSMHEOTTOYYGN-JTQLQIEISA-N	237.068	-0.863	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1Nc1ncc(B(O)O)cn1	2217202678	YRKKWFRCGORSLH-DOWZNPNQSA-N	233.080	-0.387	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)[C@@H]1CO	2220069830	QMMJPMRFMJXQHS-GFCCVEGCSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H]3C[C@H]2C[C@@H]3O)nc1	2223632111	FWMLXCBEOWXURX-OEIWMXHLSA-N	248.091	-0.667	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(B(O)O)cn1	2223653797	UTVFMQHPCBXKSI-SCVMZPAESA-N	247.107	-0.701	50	10	BBGE	
N#CCCN(CCC#N)c1cc(B(O)O)ccn1	2223673350	FWBNRQMESRLUDJ-UHFFFAOYSA-N	244.063	-0.605	50	10	BBGE	
C=CC[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2243356770	MQFLYCRDCGYMDA-SNVBAGLBSA-N	221.065	-0.184	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363417	GNVRNFPLLHTDHO-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
CN1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2243363880	NSICLZGBRGKPFP-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CC[C@H](O)CN(C)C(=O)C1CC(B(O)O)C1	2243391189	HPBQNTZVPKSGQX-HACHORDNSA-N	229.085	-0.531	50	10	BBGE	
C[C@@H]1CCC[C@@H]1CN(C)C(=O)C#CB(O)O	2243401226	OGONVWBEGLNCHR-NXEZZACHSA-N	223.081	-0.104	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(B(O)O)o1	2243401431	RACOCSFKMGMSQE-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1O	2243410487	CCVPRFQGNUFORT-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1(C)CC1	2243411400	SLRMCTDOPOXPAI-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
NCCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243417426	SSRCCCXATJPPDL-DTORHVGOSA-N	226.085	-0.953	50	10	BBGE	
C#C[C@](C)(CC)NS(=O)(=O)CC(=C)B(O)O	2243434025	TUAUUGUDGQDTPI-SECBINFHSA-N	245.109	-0.724	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)c(F)cc1Cl	2244193260	NOOHVKSWEXGFJD-UHFFFAOYSA-N	245.446	-0.091	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cocc1B(O)O	2244214647	VVVQRXZWEQEFHC-ZETCQYMHSA-N	221.021	-0.592	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2244217321	PKTPTPYDEUULRA-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)CCCO1	2244545927	DPBPHMYWVDQWID-JTQLQIEISA-N	225.053	-0.923	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NCCC#CB(O)O)C1	2244549095	YERVHBMEHGKKQR-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
C#CCC1CN(C(=O)c2coc(B(O)O)c2)C1	2247737516	HNGREAKNXPYYPS-UHFFFAOYSA-N	233.032	-0.945	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]2C[C@H]2C1	2247742511	PSMYQALNIVQSHB-SFYZADRCSA-N	235.048	-0.559	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC(C)(C)C	2247762673	GDTCPWPFFVLULF-UHFFFAOYSA-N	238.096	-0.519	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2247785478	LEMKKTGFNOIHDY-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
Cc1ncnc(NC(=O)C2CC(B(O)O)C2)n1	2247798403	TVMASWRRRXNKJC-UHFFFAOYSA-N	236.040	-0.628	50	10	BBGE	
O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1C[C@@H]1B(O)O	2247803524	BNPVCIUCHBTBML-AXTSPUMRSA-N	239.080	-0.467	50	10	BBGE	
CCC1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247809886	SCYKJZHGEFCQOB-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1ccoc1B(O)O	2247846502	HMVQAFYXGREAJH-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2247872270	PRHVRCNCQIUJJG-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1C(F)F	2247874740	SWRRFOFEIUSWHK-WDSKDSINSA-N	248.038	-0.956	50	10	BBGE	
O=C(N1CC[C@H]2C[C@H]1CO2)C1(B(O)O)CCC1	2247877043	BBEGRFJKNKJQKO-IUCAKERBSA-N	239.080	-0.227	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)C2(B(O)O)CCC2)C1	2247878963	QTEDIDLVUGNJAE-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895456	SQOXTGFIDVHZGS-HRDYMLBCSA-N	241.096	-0.389	50	10	BBGE	
CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247898040	ZTKJXTZMMZXJQV-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCN[C@@H]2CC[C@@H]21	2247902420	FAZIIRFDOHUQGZ-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
CC1(C)C[C@]1(NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248568164	MVBGXAPNYNWRHE-ZTNVNUCQSA-N	241.052	-0.781	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(C(=O)O)CC1	2248587264	NRVAUJQRTRKNMQ-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ncccc1B(O)O	2249308455	PUPINJWCWIVGLA-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]1C1CCC1	2250006033	GSOWEYODIJKZKJ-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
COC[C@@H](OC[C@@]1(C)CCN(C)C1)C(=O)NN	2253318216	ZMHBAWYIVMSSCS-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cccnc1	2255449683	PCNDMKDHMFTXRS-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccc(B(O)O)cn1	2255517727	FGBQRDHTAHXJLF-VIFPVBQESA-N	246.075	-0.849	50	10	BBGE	
Cn1ccnc1NC(=O)c1ccccc1B(O)O	2255674804	PTYZWEGDHNEKEA-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CCn1cc(CN(C)C(=O)C#CB(O)O)c(C)n1	2255681147	PWFMJLWAVRWMAS-UHFFFAOYSA-N	249.079	-0.815	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1ccc(B(O)O)o1	2255713971	KPAHOJFKWXCNBG-MRVPVSSYSA-N	249.075	-0.169	50	10	BBGE	
N#CC1(O)CCN(c2cnc(C(N)=O)nc2)CC1	2258195770	JPBPXFLUAJMGKL-UHFFFAOYSA-N	247.258	-0.570	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)Nc1ncco1	2263396993	ZXBXGUADUNADKE-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CN(C)[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165718	SXPSNITVWAARIG-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298377513	UFAFTTDMFHIODS-JDDHQFAOSA-N	238.096	-0.813	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCC[C@H]1C[C@@H]1C(=O)NN	2300369156	KCCFDJNONIOPGS-VGMNWLOBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCn1cnccc1=O	2300384877	SHIMJASRCBATFA-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
O=C(CC1(C(=O)O)CC1)N1CC[C@H](B(O)O)C1	2303110865	DUXIPGLDXKSTPT-ZETCQYMHSA-N	241.052	-0.683	50	10	BBGE	
CC1(C)[C@@H](N)CCN1c1ccc(B(O)O)cn1	2307329053	VHBSAHMQRWRLPK-VIFPVBQESA-N	235.096	-0.923	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@H]1CC[C@@H]2C[C@H]12	2312848116	NPDLNFNPCFARCP-JEZHCXPESA-N	249.075	-0.170	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1OC	2319322592	GFPHEMPCAOJJDD-SECBINFHSA-N	247.059	-0.110	50	10	BBGE	
COCCCNC(=O)C(C#N)=CN(C)CCO	2324725624	WZPAKHRGWWCXFU-UHFFFAOYSA-N	241.291	-0.529	50	10	BBGE	
CC(C)[C@@H]1C(N)=C(C#N)S(=O)(=O)N1C	34563514	NQHDXXLUKFQDIY-MRVPVSSYSA-N	215.278	-0.020	50	10	BBGE	
NNC(=O)C(=O)NCCCN1CCCCCC1	58856375	YAUHZJGFSXBMMR-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
COC[C@H]1CCN([C@@H](C)C(=O)NN)C1	81120975	IGQQFWCORDNWBR-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1CN(C)C)C(=O)NN	82468639	LGRPUFWLVFTYPO-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
Cc1nnc(SCCC(=O)NN)n1C	82472778	YTNDNMXSCHXTCV-UHFFFAOYSA-N	215.282	-0.404	50	10	BBGE	
CC[C@H]1CC[C@H](NC(=O)C(=O)NN)[C@@H]1C	83050234	NJEPKPGGAUCTHY-CSMHCCOUSA-N	213.281	-0.083	50	10	BBGE	
CCN(CCOC)CC(C)(C)C(=O)NN	86597924	FQKNTOIAROWJES-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
NNC(=O)CCn1cc(Cl)cnc1=O	133573192	BTQKWAMMDVLFAZ-UHFFFAOYSA-N	216.628	-0.723	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@H](Cl)C#N)nnc21	139600817	BDJSBPGOFDGFHS-RXMQYKEDSA-N	238.638	-0.344	50	10	BBGE	
CC[C@H]1CN(Cc2ccc(B(O)O)cc2)CCO1	199012091	AVMPITPWULMOLX-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1cc(F)ccc1Cn1cccn1	203174517	KHGFJZVPWQUAQJ-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3CC[C@H](C2)O3)cc1	203529676	VQUOGJJRMAMZKU-BETUJISGSA-N	247.103	-0.270	50	10	BBGE	
COC(=O)N1CCCC[C@H]1CC(=O)NN	215366640	VYJVYVPBAKCBCR-ZETCQYMHSA-N	215.253	-0.013	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](O)C1	216482382	WERQZKGAKWBLAF-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](O)CCN(C)CC(C)(C)C(=O)NN	220008698	WAPIAFIDSUVODA-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)C(F)(F)F	221829697	ITLQWWKNRKQKSZ-UHFFFAOYSA-N	246.981	-0.455	50	10	BBGE	
OB(O)c1ccccc1O[C@@H]1CCCOC1	224914278	YBIYPNCITFFKMB-SECBINFHSA-N	222.049	-0.076	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](N(C)C)[C@H](C)C1	227251509	BCPDAYSQSIYHHZ-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCCO)C1CCC1	228568348	ZFLZAEWQAZVCCF-JTQLQIEISA-N	229.324	-0.008	50	10	BBGE	
COC[C@@H](CNC(=O)NC(=O)CCl)OC	234720461	QOKNCZYAMWBUMX-ZCFIWIBFSA-N	238.671	-0.288	50	10	BBGE	
CC1(C)C(=O)Nc2ccc(B(O)O)cc21	238194394	PWAZSJIPGMUMQY-UHFFFAOYSA-N	205.022	-0.404	50	10	BBGE	
CCN1CCOc2cc(B(O)O)ccc21	238240925	RHCDYIFOPGQLAR-UHFFFAOYSA-N	207.038	-0.415	50	10	BBGE	
O=C1NC(=O)[C@]2(CC[C@H](CCB(O)O)C2)N1	256001995	SPQZGESMALLEIK-HZGVNTEJSA-N	226.041	-0.772	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2ncoc2c1	259007321	NPHJGPRTGUGOET-MRVPVSSYSA-N	206.205	-0.183	50	10	BBGE	
CC[C@@H](C)[C@H](N)C(=O)NNC(=O)C1CC1	308854529	SLQJGIKORWPZOD-SVRRBLITSA-N	213.281	-0.083	50	10	BBGE	
COCC(COC)O[C@@H](C)C(=O)NN	379539962	OHAYBVIYVMRILX-LURJTMIESA-N	206.242	-0.957	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(C[C@H](O)CCl)C1	379574816	KZWHDLSLZYTBBK-DJLDLDEBSA-N	223.700	-0.332	50	10	BBGE	
OB(O)c1cccc(N2CCC(O)CC2)c1	381659426	ULTGXSJDQQQJSM-UHFFFAOYSA-N	221.065	-0.673	50	10	BBGE	
Cc1sc(C(=O)NN)cc1CN1CC(O)C1	384086039	ALJMJMITAOTHNI-UHFFFAOYSA-N	241.316	-0.163	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	395602253	CSIYZTOVGQIIGR-HTQZYQBOSA-N	242.323	-0.659	50	10	BBGE	
CC(C)N(CC(N)=O)[C@H](C(=O)NN)C(C)(C)C	396045616	VYKBATCIDDLURW-SECBINFHSA-N	244.339	-0.413	50	10	BBGE	
Nc1ccc(C=O)c2cc(B(O)O)sc12	396277080	SBZQIKTYZSUNEX-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COCCC(=O)Nc1ccc(C)c(B(O)O)c1	404985745	OIHDOEBFMRDCOC-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
Cn1nnc([C@H]2OC[C@H](CCl)O2)n1	575519386	IWOZTKVASCWYIE-NJGYIYPDSA-N	204.617	-0.137	50	10	BBGE	
C[C@H](C(=O)NN)N1CCSC[C@@H]1CCO	689852615	WAMHSQSKUZYWBN-SFYZADRCSA-N	233.337	-0.835	50	10	BBGE	
CN(C)NC(=O)NC1(CC(=O)O)CCOCC1	692005548	MCLGQWNUNLLWGT-UHFFFAOYSA-N	245.279	-0.214	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnc[nH]2)CC1	692097360	JAWNLNAOFRLUFV-UHFFFAOYSA-N	220.232	-0.100	50	10	BBGE	
CC1CN(Cc2ccc(B(O)O)cc2)C1	698565097	QBJHLMOKPLIKOS-UHFFFAOYSA-N	205.066	-0.182	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCn1cnnc1	703424143	GQAGUVYZRCQMOP-HTQZYQBOSA-N	236.231	-0.806	50	10	BBGE	
Cc1cc(C)n(CCC(=O)NNC(N)=O)n1	706012995	LFVZHVXMXQIBDK-UHFFFAOYSA-N	225.252	-0.410	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@H](C)Br	718209929	KSFYEUJYNFHBCD-NTSWFWBYSA-N	220.066	-0.120	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H]3C[C@H]32)ns1	724324791	PFNNBPMQSWUQQR-PHDIDXHHSA-N	239.304	-0.264	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]3COC[C@@H]3O2)CC(=O)O1	724603817	JIEISSRPCGAUHL-HLTSFMKQSA-N	241.243	-0.824	50	10	BBGE	
C[C@H](CN1CC[C@H]2OCC[C@@H]2C1)C(=O)NN	724821175	DFIRRXZPANDSNE-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
Cn1ccnc1C(=O)NNC(=O)C1CCC1	741263773	MFZKSJHQTZZBGM-UHFFFAOYSA-N	222.248	-0.019	50	10	BBGE	
CNC(=O)NNS(=O)(=O)N1CCC[C@@H]1C	769865268	MTYKIQZCEUGZSJ-LURJTMIESA-N	236.297	-0.851	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNC(=O)CN(C)C	769925114	DLRXVSXCXLQTCZ-IUCAKERBSA-N	243.307	-0.632	50	10	BBGE	
Cc1nocc1C=NNC(=O)CN(C)C	814832719	VLCIUEDVSOVJDA-UHFFFAOYSA-N	210.237	-0.005	50	10	BBGE	
NC(=O)NCC(=O)NNc1cccc(Cl)n1	817004448	CNDGYJQJGPEHQV-UHFFFAOYSA-N	243.654	-0.154	50	10	BBGE	
CO[C@H](C)CNC(=O)NNC(=O)[C@H]1CCCO1	821709099	JGABVHRRSYMGGR-HTQZYQBOSA-N	245.279	-0.469	50	10	BBGE	
CC(=O)N1CC(NC(=O)CBr)C1	1144199130	SDFXDMVUXRTABP-UHFFFAOYSA-N	235.081	-0.272	50	10	BBGE	
CC(=O)NNC(=O)[C@@]1(C)CCC(=O)NC1	1321643870	XGGNYCYVNQNJQN-VIFPVBQESA-N	213.237	-0.930	50	10	BBGE	
CCO[C@H](C(=O)NN(C)C(N)=O)[C@H]1CCOC1	1329768738	WKEOORPVBMCAEP-YUMQZZPRSA-N	245.279	-0.530	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc2ccnn12	1543663692	ISJMTQALNLBKAE-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
Cn1cc(C(=O)NNc2ccncn2)nc1O	1624513992	UTAZEYVNPNVGSK-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
O=C(CC1OCCO1)NNc1ccncn1	1637047201	RFECDSMOUPSNHH-UHFFFAOYSA-N	224.220	-0.317	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@]1(C)CC1(F)F	1641242557	AVYYQVNRNNHFNK-QMMMGPOBSA-N	235.234	-0.259	50	10	BBGE	
Cn1nncc1NNC(=O)c1cnccn1	1654603335	JWTNWIRDAMSBEN-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
NS(=O)(=O)NC[C@@H]1C[C@H]1Br	1877371965	AIDQUJAIBLYRFU-IUYQGCFVSA-N	229.099	-0.437	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2Cl)CC(=O)O1	1883549562	BFEYGFJWKAYXPM-NTSWFWBYSA-N	203.625	-0.001	50	10	BBGE	
Cl[C@@H]1C[C@H]1CNCCn1cnnn1	1883567497	PKHDOXUNYLKWPX-NKWVEPMBSA-N	201.661	-0.110	50	10	BBGE	
NNC(=O)[C@H]1C[C@H](C(F)(F)F)CCN1	1885035796	ORMXQBHRNLFOFN-RFZPGFLSSA-N	211.187	-0.093	50	10	BBGE	
CO[C@H](C)COC[C@@H]1C[C@H]1C(=O)NN	1886077695	YBDCGXONIWCWDG-GJMOJQLCSA-N	202.254	-0.336	50	10	BBGE	
O=C(CCl)NC(=O)N1C[C@H]2COC[C@@H]21	1886757831	CUBWAQZBKDQILH-WDSKDSINSA-N	218.640	-0.208	50	10	BBGE	
O=C(NCCOC1CNC1)[C@H]1C[C@H]1Cl	1887448021	XIISQHDWBXROKO-JGVFFNPUSA-N	218.684	-0.282	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C=O)c1C	1887520817	HBJGOFBXMIKEEF-UHFFFAOYSA-N	222.005	-0.726	50	10	BBGE	
CN(NC(=O)NC(C)(C)C)S(C)(=O)=O	1888572045	PEQNNBWRZIPVEV-UHFFFAOYSA-N	223.298	-0.110	50	10	BBGE	
CC(C)[C@H](C)[C@@H](C)NC(=O)C(=O)NN	1888820458	ASQCLENERCGQCX-NKWVEPMBSA-N	201.270	-0.227	50	10	BBGE	
OB(O)c1csc(COCC(F)F)n1	1891824299	VDHFLMZXYULXDS-UHFFFAOYSA-N	223.009	-0.395	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@H]2C[C@@H]2Cl)C(=O)N1	1893469852	NBUDVUZSMMROOP-YUPRTTJUSA-N	216.624	-0.855	50	10	BBGE	
NNC(=O)COC[C@H]1C[C@@]12CCOC2	1895375276	OHVRXPBBEGNORW-VXNVDRBHSA-N	200.238	-0.581	50	10	BBGE	
CS[C@H](C)C(=O)Nc1cc(B(O)O)ccn1	1899676167	SODGVYOQTQPXHM-ZCFIWIBFSA-N	240.093	-0.549	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1[C@@H](C)CC(=O)NN	1903341010	BADDNVXDCFKCPQ-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)C1CC(O)C1	1908358464	NMZVCDFGCHNXCB-MFQSTILNSA-N	241.335	-0.152	50	10	BBGE	
CC[S@@](C)(=O)=NCCOCC(=O)NN	1913894938	RNLJSMIKEHANEL-CQSZACIVSA-N	223.298	-0.889	50	10	BBGE	
CC[C@@H](N=[S@@](C)(=O)CCOC)C(=O)NN	1918071669	HLXJDEHYKXAOND-MLXNANBUSA-N	237.325	-0.501	50	10	BBGE	
O=C(NC[C@@H](O)CF)NNC(=O)C(F)(F)F	1923225610	BSUZBZLCBMVRGN-VKHMYHEASA-N	247.148	-0.791	50	10	BBGE	
CN(C)NC(=O)[C@H](CN)C1CCOCC1	1930478972	BJINISURVXUZRR-SECBINFHSA-N	215.297	-0.419	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)C1	1936090773	JFBCCDDLTSNHAY-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
COCC1(N(C)C[C@@H]2C[C@H]2C(=O)NN)CC1	1936095207	VAXBCOOLENATCX-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)N1CCCCCCNC(=O)CC1	1936258827	AKPAZBLPDAQJAX-UHFFFAOYSA-N	228.296	-0.048	50	10	BBGE	
CC(C)n1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1941090232	YWFAOACILSMMBI-IUCAKERBSA-N	238.291	-0.143	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(CC(O)C2)C1	1942499803	PRSSNHIAOSCFKD-JTQLQIEISA-N	241.335	-0.152	50	10	BBGE	
CN1N=C([C@H]2CC(=O)OC2=O)CCC1=O	1951987131	DFTVZPBJFRINTP-RXMQYKEDSA-N	210.189	-0.316	50	10	BBGE	
OC[C@@]1(O)CCN(CCBr)C1	1953287557	KTTOUEGJUZEESI-SSDOTTSWSA-N	224.098	-0.190	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CC[C@@]12CCCO2	1958754079	REOYNJLWLWLBTF-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)CN1CCC[C@H]2COCC[C@@H]21	1961288671	MLOOSEWDFLZQBL-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)C(=O)NN)o1	1961475881	KVRTZWFUKCGUSD-YFKPBYRVSA-N	213.241	-0.812	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CC2)C1	1961690861	LCUSFCUVFXOHFD-UHFFFAOYSA-N	204.038	-0.638	50	10	BBGE	
COc1ccnc2cc(B(O)O)cnc12	1961691174	JXFSNUKCJUEGPX-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
CNC(=O)N[C@@H](C)c1cc(B(O)O)cs1	1974924553	YKUGJRILAATYHU-YFKPBYRVSA-N	228.082	-0.582	50	10	BBGE	
COCCOCc1nn(C)cc1C(=O)NN	1980591903	DPFANHZEYXFSLD-UHFFFAOYSA-N	228.252	-0.813	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2C[C@]2(O)C1	1980975710	AEHZADSBGGGFMN-KBIXCLLPSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCCO1	1981431035	VCHBCVNBBBZSMS-MRVPVSSYSA-N	223.037	-0.681	50	10	BBGE	
NNC(=O)CCCN1CC[C@]12C[C@@H](CO)C2	1985562027	NZAITXGDLDEMMU-HOMQSWHASA-N	227.308	-0.397	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1985598544	WZUQSXZNMMUHDH-QKAWAISNSA-N	225.244	-0.328	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)o1	1985740048	GCQOIRPKCXEIIJ-SVRRBLITSA-N	225.248	-0.552	50	10	BBGE	
COC12CC(C1)N(CC1(C(=O)NN)CC1)C2	1986827200	NNXKJAHSUVGWPA-UHFFFAOYSA-N	225.292	-0.380	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](C2(O)CC2)C1	1987340642	MBMTWRVUTJRFSJ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CCC1(Cn2cccc(B(O)O)c2=O)CC1	1990567437	OEAVBLKPAUBKNO-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1991682835	NBMVAVCMPXFYJB-ZLUOBGJFSA-N	249.650	-0.254	50	10	BBGE	
CC1(C)C[C@H](CCn2cc(B(O)O)cn2)CO1	1997128246	SRYMFQWXHXSYFD-VIFPVBQESA-N	238.096	-0.232	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](OCCO)C1	2001030664	DSGGZUIDHZTXOZ-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H](C1CC1)N(C)c1ncncc1B(O)O	2004916915	RJNAMKRHHXFQSE-JTQLQIEISA-N	235.096	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](C(C)(C)O)C1	2005912126	HMIHWLKBWOBCDC-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CC(C)COCCn1cccc(B(O)O)c1=O	2008845308	ZRZRMLYTZKBVNV-UHFFFAOYSA-N	239.080	-0.799	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@@H]1F	2009200988	DNDOZOMNLUIZSU-DJLDLDEBSA-N	249.286	-0.950	50	10	BBGE	
CCC(=O)N1CCN([C@H](CC)C(=O)NN)CC1	2011464548	KIMDETZEERVGLS-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CCC(=O)NC1	2012017862	VXOHCKVAYBCYPZ-CIUDSAMLSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cn1)N1CCCCC1	2014989801	ZGIZMTZPSQZNJI-JTQLQIEISA-N	237.112	-0.563	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)CO1	2018697991	LZNNAYDXUMXNEJ-YUMQZZPRSA-N	241.291	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC12CC(CO1)C2	2019179762	VDSVJMOQNHJWOG-UHFFFAOYSA-N	241.291	-0.736	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@@H](C)O1	2019515437	DSYBUEKQRYZLMS-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	2021105285	QGNKOHJYUZHZEQ-SAVGLBRCSA-N	233.076	-0.590	50	10	BBGE	
CN(CCCF)CC12CC(C(=O)NN)(CO1)C2	2023852279	FGCOLZKAPGENGD-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
CC[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1CO	2025430990	BPZIPLHAVUKCSR-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
C[C@@H](CC(=O)NN)N1Cc2cc(O)nnc2C1	2025566809	DGKYCKLTHJIZEN-LURJTMIESA-N	237.263	-0.734	50	10	BBGE	
C[C@@H](CC(=O)NN)N1Cc2ncnc(O)c2C1	2025567646	JKAPZBUOQTZGBG-LURJTMIESA-N	237.263	-0.734	50	10	BBGE	
CN(CCc1ncccn1)C[C@H]1C[C@H]1C(=O)NN	2030284166	CQQJEIZQMVXPEA-NXEZZACHSA-N	249.318	-0.423	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1[C@H]2CCC[C@H]21	2048416818	ZEEPBFCGFKJUSI-AKZRSSKFSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H]1CN(C)CCCN1c1ccncc1B(O)O	2052499360	RTKUKMQKCQCYHY-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)n1	2052624157	DLWYEMVYPCAYDD-HJGDQZAQSA-N	245.091	-0.691	50	10	BBGE	
CCOc1ccc(B(O)O)c([N+](=O)[O-])c1OC	2060018486	UWSUFMCZLQXHTH-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCc1ccc(C=O)c(OC)c1B(O)O	2060155037	JATCCJSMIXQVNK-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
COc1c(C#N)cc(OC(F)F)cc1B(O)O	2060303867	ZPYNCMPAMZNFEZ-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)c1ncc[nH]1	2077801173	HMHZTMBTPIBPBW-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2C[C@H]21	2079008901	CNPWBRIODRSSCX-WRWORJQWSA-N	249.050	-0.260	50	10	BBGE	
C[C@H](CO)CC1CN(CCCC(=O)NN)C1	2212384376	RYXJXUAXNZHSGR-VIFPVBQESA-N	229.324	-0.293	50	10	BBGE	
C[C@H](CCO)Sc1nccc(B(O)O)c1F	2212600897	ZLCOZFDPQBBAKK-ZCFIWIBFSA-N	245.084	-0.237	50	10	BBGE	
CC1(CF)CN(c2cc(B(O)O)ccn2)C1	2212602095	YNXLCVCWLWLAFA-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
CCC(C)(C)Cn1cc(B(O)O)cnc1=O	2212715691	QKHNZSKCYDTUMM-UHFFFAOYSA-N	224.069	-0.641	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1Cn1cnc([N+](=O)[O-])c1	2215773167	RSFBSEYFJWFWBH-RNFRBKRXSA-N	239.235	-0.193	50	10	BBGE	
C[C@@H]1CC[C@H](Oc2ccc(B(O)O)cn2)CN1	2217179159	HFLBKRPHDIXZRA-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1cc(B(O)O)c(C)cn1	2217182371	AACMKGRVWHCLBJ-PSASIEDQSA-N	236.080	-0.483	50	10	BBGE	
CO[C@H](C)CN(C)c1cc(B(O)O)c(C)cn1	2217183794	OEDVNSOIXPSFFM-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
C[C@H]1C[C@@H](CN=c2ccc(B(O)O)c[nH]2)CO1	2217184805	WMTUMHWBYAEHIP-IUCAKERBSA-N	236.080	-0.980	50	10	BBGE	
CC1(C)C[C@@H](Nc2cc(B(O)O)ccn2)[C@@H]1O	2217195153	GGVMZNGULCNIKP-SCZZXKLOSA-N	236.080	-0.667	50	10	BBGE	
C#CCCCCCN=c1ncc(B(O)O)c[nH]1	2217195431	KBECTORLTQCIGP-UHFFFAOYSA-N	233.080	-0.816	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)CC12CCCC2)C(=O)NN	2217482359	GFKALUSNRZOCTR-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(NC2CCN(C)CC2)cc1B(O)O	2223641488	UNDDUUAFNRDYKE-UHFFFAOYSA-N	249.123	-0.424	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)C[C@@H](N)C2)cc1B(O)O	2223653762	UNXJAFHDNGFRDS-WCBMZHEXSA-N	249.123	-0.757	50	10	BBGE	
O=C(NCC(F)F)[C@H]1C[C@H](B(O)O)C1	2241482047	ZVMIAUHCVLXBTH-URHBZAFASA-N	206.985	-0.379	50	10	BBGE	
C=C(Cl)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2241495024	GBUAWYKDFFZKKE-RITPCOANSA-N	203.434	-0.282	50	10	BBGE	
CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)CCCl	2241854539	SVCZQLRZVUFMGV-QYNIQEEDSA-N	243.712	-0.707	50	10	BBGE	
CNCC[C@H](C)NC(=O)C1(B(O)O)CCC1	2243365692	QANCXQJRXXOXEO-QMMMGPOBSA-N	228.101	-0.502	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1csnc1B(O)O	2243378634	WWAFUXQUNHURQQ-ZCFIWIBFSA-N	240.093	-0.625	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382795	RZWLMRYICYLPQJ-XAVMHZPKSA-N	227.069	-0.467	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1cc(B(O)O)cs1	2243385327	GWEHZTQLJRTESX-IYSWYEEDSA-N	243.068	-0.484	50	10	BBGE	
CN(C)C1CN(C(=O)C2CC(B(O)O)C2)C1	2243392160	RUZOGDRJLLMKKL-UHFFFAOYSA-N	226.085	-0.988	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CO1	2243397270	YCEPEPDBWIXFOA-LURQLKTLSA-N	227.069	-0.610	50	10	BBGE	
CN(Cc1ccc(Cl)o1)C(=O)C#CB(O)O	2243398436	DRWDVQOEJGPWAT-UHFFFAOYSA-N	241.439	-0.093	50	10	BBGE	
CC[C@@H](C)NC(=O)c1cc(B(O)O)oc1C	2243408080	GPSWVNQYWSMWQN-ZCFIWIBFSA-N	225.053	-0.204	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1CCCOC1	2243408702	SMZIQROVUWOGIS-UHFFFAOYSA-N	241.077	-0.752	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C(=O)C1(B(O)O)CC1	2243411365	RXYUQTWJMQZKOP-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2C[C@H]1CS2	2243427596	XWOVUHSRUIVHJZ-XSPKLOCKSA-N	241.121	-0.044	50	10	BBGE	
CCOC(=O)c1cc(F)c(B(O)O)cc1F	2243453821	RKQWVPQIOXTTLL-UHFFFAOYSA-N	229.975	-0.179	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccccc1B(O)O	2243702677	RGBCMPAFSMMOLN-SSDOTTSWSA-N	223.037	-0.924	50	10	BBGE	
C[C@H](CF)N(C)c1nccc(B(O)O)c1F	2244124842	GGBXNTIMHFQKOJ-ZCFIWIBFSA-N	230.023	-0.305	50	10	BBGE	
Cc1csnc1C(=O)NCCC#CB(O)O	2244551011	YVPLWXWLAPRKQZ-UHFFFAOYSA-N	238.077	-0.413	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@@H]2CC[C@@H]12	2247721770	HQBFJHMYKZQPDW-RNFRBKRXSA-N	235.048	-0.594	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2247737554	IBOUNOXXONJDFS-CPCISQLKSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@H]1F	2247738253	OWYCFRNLHRAMGY-NKWVEPMBSA-N	241.027	-0.611	50	10	BBGE	
CC1=CCCN(C(=O)c2ccoc2B(O)O)C1	2247740555	MHKJSHUSKCEXJJ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2CCC2)c1	2247752033	HJMNSTMQVNJYJF-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
CN(CCn1cccn1)C(=O)C1(B(O)O)CC1	2247753062	AWDHJATWPNUBAQ-UHFFFAOYSA-N	237.068	-0.652	50	10	BBGE	
CC1(C)CCN[C@@H]1CNC(=O)C1(B(O)O)CC1	2247756289	SLBZQOGKEMMTCG-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787348	NVRSSFTWSOPRJY-QEYWKRMJSA-N	243.112	-0.237	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCCO1	2247787910	WJGNVHAFEJHVRC-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247792972	VUQVSKJLIMZQAK-XFWSIPNHSA-N	241.096	-0.219	50	10	BBGE	
C=CCC[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796722	CBRNIGUPGDBAAK-OPRDCNLKSA-N	241.096	-0.317	50	10	BBGE	
COC[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)OC	2247808353	KWBKDWQDFUECQF-IWSPIJDZSA-N	245.084	-0.983	50	10	BBGE	
CCC(N)(CC)CNC(=O)C1CC(B(O)O)C1	2247809506	PUJODHWRENKRBZ-UHFFFAOYSA-N	242.128	-0.127	50	10	BBGE	
CC1CC(N(C)C(=O)c2cc(B(O)O)c[nH]2)C1	2247852275	RFVZKNUYHCYPBT-UHFFFAOYSA-N	236.080	-0.435	50	10	BBGE	
CC(C)(O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247860162	SNICDDWQVCFVHV-DTORHVGOSA-N	243.112	-0.093	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1C[C@H]1F	2247874592	NCWLUWMFSVGVRS-BDAKNGLRSA-N	237.039	-0.485	50	10	BBGE	
O=C(N1C[C@@H]2[C@@H](CO)[C@@H]2C1)C1(B(O)O)CCC1	2247877604	BZYBMDKIEKUOGQ-BRPSZJMVSA-N	239.080	-0.920	50	10	BBGE	
CC1(C)C[C@@H](O)CN(C(=O)C2(B(O)O)CC2)C1	2247878198	MHYYGOOJJFRLSB-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
CCC(CC)N(C)C(=O)c1n[nH]cc1B(O)O	2247884912	BKECWEHUVSZTLK-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247909126	FRFBEVWGVUFKCR-KXUCPTDWSA-N	240.112	-0.421	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CCN[C@@H]2C1	2247909570	KNXBNZQZSKCHBW-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1F	2248443326	MNUFEVSJHJOBBO-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)C(=O)O	2248574984	XFTIOHXHZLHUMA-CWKFCGSDSA-N	243.068	-0.535	50	10	BBGE	
CC[C@@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2248586285	YNNLOGPELDMNIR-KKMMWDRVSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H](CNC(=O)c1cc(B(O)O)co1)C1CC1	2249419026	BRXAYVBXLQOBHA-ZETCQYMHSA-N	237.064	-0.265	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@]2(C)O	2249614393	SJRKFWXNCISBDD-DTHBNOIPSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CCN1C(=O)NCc1ccc(B(O)O)cc1	2254061341	FPQPANYLVOHIKS-SECBINFHSA-N	248.091	-0.330	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ccncc1B(O)O	2255453261	PMGSUDPOHPNUBU-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2255461989	PEIFSXYESJQDPU-UWVGGRQHSA-N	248.091	-0.387	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255462750	ZHUZPOBYCQRHDU-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1occc1B(O)O	2255481849	MMFPDSWRWZRXAY-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
CC[C@@H](NC(=O)c1ncncc1B(O)O)C1CC1	2255516617	NXZHSQZFRYBDOP-SECBINFHSA-N	249.079	-0.925	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(c2cc[nH]n2)CC1	2255681924	ZIEHZEFCYJCDKK-UHFFFAOYSA-N	247.063	-0.869	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ncccc1B(O)O	2255710574	MPYIEYSJTWBTPV-MRVPVSSYSA-N	248.091	-0.368	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCCC12CC2	2255716489	DBVFZCMZQWTOKT-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC2CC1(C)C2	2255720536	UBQFCKNBOKPQGC-UHFFFAOYSA-N	249.075	-0.108	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ncncc1B(O)O	2255735176	OMODUVWBDXUANT-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2258139294	VFLACZVYVRJTPS-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368804	ZAWKLOAUIVYLTM-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2298369546	YDSHWMGQXAZRBR-RYPBNFRJSA-N	241.096	-0.221	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)[C@@H]1CO	2298369981	KVFRHHFNFJKOBY-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
CN1CC(C)(C)[C@H]1COCCOCC(=O)NN	2299037308	IFDMZTUWQRTSBY-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
CC[C@@H](CN)Nc1ccc(C=O)c(B(O)O)c1	2301453143	QQMMBOAKFLRWOT-VIFPVBQESA-N	236.080	-0.672	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC2CC1(CO)C2	2302026278	ZEYVUUZFBOOBSA-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCOC[C@H](O)C1	2302052572	KOKHFTPPVWSBRZ-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2N(C)C	2302402565	YTNVOBIBONPIQL-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1	2303098395	XEEDNDRPLZRDAF-VLEAKVRGSA-N	241.096	-0.661	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)N2CCOCC2)C1	2303167039	JIKMBYXWWNHAMI-JTQLQIEISA-N	242.084	-0.623	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CC[C@@H]1C1CC1	2303184416	ZIADFVMDQJEFOG-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
CC(C)[C@@H](N)CNc1cc(B(O)O)c(F)cn1	2303847746	NOJNXIVEMOIMPK-VIFPVBQESA-N	241.075	-0.704	50	10	BBGE	
C[C@H]1C(CN=c2cc(B(O)O)c(F)c[nH]2)[C@@H]1C	2303847995	RQVNVPZVSLOODM-RNFRBKRXSA-N	238.071	-0.364	50	10	BBGE	
NC1(COc2cc(B(O)O)c(F)cn2)CCC1	2303857576	GHGHSILINXRGDR-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC[C@@H]2C[C@@H]2C1	2310073756	OUXDQRHJFRHTMB-AXFHLTTASA-N	247.103	-0.036	50	10	BBGE	
C=CC[C@@H](O)[C@@H]1CCN1c1ccc(B(O)O)cn1	2314224533	JEGDJKZRYKFZFE-WDEREUQCSA-N	248.091	-0.723	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCC[C@H]1N	2317166742	YRAFTSFJBDVRER-ZYHUDNBSSA-N	245.091	-0.470	50	10	BBGE	
COCCNC=C(C#N)C(=O)N1CCOCC1	2324939150	QXJDPIXXLJTYRX-UHFFFAOYSA-N	239.275	-0.511	50	10	BBGE	
O=C(CCl)NC[C@@H]1CN2C(=O)C[C@@H]2O1	20150	JPIMUEXMCDPXQN-XRGYYRRGSA-N	218.640	-0.701	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccc(O)cc1	40737321	WWATYIXKUCVIQJ-UHFFFAOYSA-N	223.232	-0.959	50	10	BBGE	
CC[C@H]1CN([C@@H](C)CC(=O)NN)CCO1	82467652	VIPYOFWEPWRNGD-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(=O)CC1	82469035	QVFYMCZMYPGLOA-SECBINFHSA-N	213.281	-0.334	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnn(C)c1	82470441	NGKHQMKFXZPJRS-SSDOTTSWSA-N	211.269	-0.770	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1nnn[nH]1	82513176	LFMVAOBHVIIMSX-GSVOUGTGSA-N	225.661	-0.624	50	10	BBGE	
COCc1cc(C(=O)NNC(N)=S)no1	85222746	FFVLERNYRZVWSH-UHFFFAOYSA-N	230.249	-0.701	50	10	BBGE	
C[C@@H](C(=O)O)[C@@H](C)N(C(N)=O)N(C)C	101250602	QSEXPMNFRZYLNF-PHDIDXHHSA-N	203.242	-0.047	50	10	BBGE	
NNC(=O)CCCCN1C(=O)[C@@H]2C[C@H]2C1=O	113289694	HGRWEBUUNKSLLB-RNFRBKRXSA-N	225.248	-0.849	50	10	BBGE	
C[C@H](CN(C)C(=O)NN(C)C)C(=O)O	149116458	DNWFAOFTYFENBV-ZCFIWIBFSA-N	203.242	-0.175	50	10	BBGE	
CN1C(=O)C[C@@H](n2cnnc2CCl)C1=O	149969904	ONCCHZHSLFOECB-RXMQYKEDSA-N	228.639	-0.053	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)O1	159712721	HZYJAZLHQUMICD-HTQZYQBOSA-N	229.280	-0.737	50	10	BBGE	
Cn1nc(-c2ccccc2)cc1B(O)O	200721252	CNRWTEMHIJEHTF-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
OB(O)c1ccc(-c2cccnc2)nc1F	203598628	FYCLCPVQYTYIKH-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
NC[C@@H]1C[C@H](CCCB(O)O)[C@@](N)(C(=O)O)C1	214911361	NNSZEIYJQFZSNN-KHQFGBGNSA-N	244.100	-0.994	50	10	BBGE	
COC[C@@H](O)CN(C)S(=O)(=O)CCCl	232299139	UWOZWOMFFOJWKI-ZETCQYMHSA-N	245.728	-0.506	50	10	BBGE	
CCO[Si]1(O/N=C(/C)N)NC(C)=NO1	238314551	XXUKPNDJNFBEAX-UHFFFAOYSA-N	218.289	-0.280	50	10	BBGE	
COc1c(B(O)O)cc(C)c(F)c1F	238402565	ADSFWNKSRLMGHG-UHFFFAOYSA-N	201.965	-0.038	50	10	BBGE	
O=Cc1ccc(B(O)O)c(Br)n1	238621804	OTLIBHQKCSMICT-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)CCO1	251895604	VZAJEYYSYSXJCP-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CNNC(=O)COC[C@@H]1CCCN(C)C1	258937110	BUAWRSXARUCLGC-SECBINFHSA-N	215.297	-0.405	50	10	BBGE	
CNNC(=O)Cc1ccc2c(c1)CC(=O)N2	258945365	DBGAENNEYYDKDR-UHFFFAOYSA-N	219.244	-0.026	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)[C@H]1CCCO1	293784493	FFGYNMKGAFXPAQ-SSDOTTSWSA-N	239.231	-0.077	50	10	BBGE	
OB(O)c1ccc([C@@H](O)C(F)F)cc1	306924021	HUPIRCFSDBNEJB-SSDOTTSWSA-N	201.965	-0.335	50	10	BBGE	
O[C@H]1[C@H](O)[C@@](O)(CF)O[C@H]1CCl	307224869	CAAAXHGJVWQXJB-BGPJRJDNSA-N	200.593	-0.996	50	10	BBGE	
NNC(=O)c1cc(CN2C[C@H]3C[C@@H]3C2)on1	380334511	DXNHWIQNHDBQME-RNFRBKRXSA-N	222.248	-0.270	50	10	BBGE	
CN(C)C1CN(CCCC(=O)NN)C1	382332969	GCRDBLRXCSVLJB-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(N(C)C)C1	382352625	QQSYKQQAJNVWFY-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
COCC1(O)CN(C[C@H](Cl)C#N)C1	384054403	OCRFIZYYVKWURG-SSDOTTSWSA-N	204.657	-0.190	50	10	BBGE	
Cc1ccn(Cc2nc(C(=O)NN)co2)n1	386749111	GDQKVDREOANGDH-UHFFFAOYSA-N	221.220	-0.169	50	10	BBGE	
CCOC(=O)CNC(=O)N/N=C(\C)C#N	389436467	DBIGPPSLFXHHMZ-IZZDOVSWSA-N	212.209	-0.252	50	10	BBGE	
COCC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405006976	QBIBWDYHVXOCEY-QMMMGPOBSA-N	237.064	-0.810	50	10	BBGE	
CC1(CC(=O)Nc2cc(B(O)O)ccn2)CC1	405019095	ZQHNVIZLBIZVPW-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnc(B(O)O)c2)on1	405028383	NHOBYZHGDAJTBB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN(C(=O)CCCl)C1	642885443	KFTLXEIGYLVRII-JGVFFNPUSA-N	220.700	-0.217	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H](C)C1O	688121130	CDLJUNUMEREPBV-ZYUZMQFOSA-N	243.351	-0.050	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCNC(=O)CC1	695103499	LYTGMXHTYBTMOB-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@H](Cl)C2)n1	697204453	RGAABBNXRHYZIM-YFKPBYRVSA-N	215.644	-0.337	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=O)N1[C@H](C)CC[C@H]1C	700860639	XYAXNPPNWPDESM-PRJMDXOYSA-N	228.296	-0.053	50	10	BBGE	
CN(C)CC[C@@H]1CCCCN1CC(=O)NN	701463786	YTUVPQSAQSJPBH-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CCOC[C@@H]1CCN(CC(=O)NN)C1	707555262	CMYNUIHXLPQESB-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710474880	FHKZWWWQHGLMPP-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)c1ccc(C)o1	773274326	UEFVVPCOQXLLKC-UHFFFAOYSA-N	239.231	-0.515	50	10	BBGE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NN(C)C(N)=O	907189504	ZBDXJQLOXZFESN-FSDSQADBSA-N	215.253	-0.301	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1ncccc1N	910182063	HKXBRXMPVNCACZ-SSDOTTSWSA-N	224.264	-0.379	50	10	BBGE	
C[C@@H]1N[C@@H]([N+](=O)[O-])CN1C[C@@H](O)CCl	1083805719	UERXILNOSKVFHF-VQVTYTSYSA-N	223.660	-0.560	50	10	BBGE	
O=CN(CCCc1ccc(B(O)O)cc1)OO	1088207814	VKUVVALXVXLIGK-UHFFFAOYSA-N	239.036	-0.838	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)C2CCC2)O1	1331965191	JIAYXDMDVZIZCL-SSDOTTSWSA-N	226.232	-0.361	50	10	BBGE	
C[C@@H](CF)NC(=O)NNC(=O)c1cn[nH]c1	1334938399	XUZYKASVCWSRFJ-YFKPBYRVSA-N	229.215	-0.288	50	10	BBGE	
COCCN(C)NC(=O)CC1(O)CCOCC1	1354014421	DWTBDCSCVHJXID-UHFFFAOYSA-N	246.307	-0.473	50	10	BBGE	
CCn1cnc(C(=O)NNC(=O)c2cc[nH]n2)c1	1453282598	AENVQZJQNBOHHK-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
N#Cc1ccc(NNC(=O)C[C@H]2CC(=O)N2)nc1	1471768090	GDFVELYCXHRASB-MRVPVSSYSA-N	245.242	-0.325	50	10	BBGE	
Cc1ccn(C)c1C(=O)NNC(=O)c1ncon1	1598459897	VPDOXKQMUKZWCG-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
O=C(CCCn1cccn1)NNc1nc[nH]n1	1638766531	CAMUJEFUJJUJCM-UHFFFAOYSA-N	235.251	-0.075	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC[C@@H](O)CO	1882383010	GXAVWLDMHQGYRG-NKWVEPMBSA-N	209.673	-0.279	50	10	BBGE	
NC[C@@H](O)CNC(=O)C1CC(Cl)C1	1883634596	LTQATBRXDCSQAA-KPGICGJXSA-N	206.673	-0.560	50	10	BBGE	
O=C(COC1CNC1)NC[C@H]1C[C@@H]1Cl	1893097953	GDMBTQANWKDUIP-SVRRBLITSA-N	218.684	-0.282	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C[C@H]2C[C@H]2Cl)C1	1893118948	KZXUKWVPUXUYAV-BHNWBGBOSA-N	218.684	-0.464	50	10	BBGE	
CNC1(C(N)=O)CN(C[C@H]2C[C@@H]2Cl)C1	1893127784	KCZXMBIDCJUAPQ-RQJHMYQMSA-N	217.700	-0.627	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@]1(C)CC	1900194308	VUJLSJWIVFHZPI-FXPVBKGRSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCOC1=O	1900501931	PCJQTFSYRVOPEC-HTQZYQBOSA-N	227.264	-0.155	50	10	BBGE	
CC[C@H]1CCN[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901378006	VPJNTXAROYUOKA-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@]1(C)CO	1901764535	SVBAKBKTQBKANH-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CC[C@](C)(CN1CC(C)(CO)C1)C(=O)NN	1902715348	GOJGKOPLZNPTOS-LLVKDONJSA-N	229.324	-0.293	50	10	BBGE	
Cc1scc(C(=O)NOCCF)c1B(O)O	1902867239	GTPFLBDNTQJMRX-UHFFFAOYSA-N	247.056	-0.633	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1cc(B(O)O)c(F)cn1	1903006495	UNLVOAGTKHFFJD-MUWHJKNJSA-N	224.044	-0.255	50	10	BBGE	
C[C@]1(CNS(=O)(=O)CCCl)CC(=O)N1	1905639230	WQRBLEQLGDFXBB-SSDOTTSWSA-N	240.712	-0.577	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CC12CCOCC2	1905722237	GSLVNGOWBDLAMT-QMMMGPOBSA-N	241.291	-0.464	50	10	BBGE	
COCC1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908356980	CWHOMVUHJJZOPO-KOLCDFICSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ncccc2B(O)O)CCO1	1911420360	OKCBYKBNBNKUAL-RKDXNWHRSA-N	237.064	-0.292	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]1CO	1929742860	ZQIUDOOTYRHRNH-YUMQZZPRSA-N	201.270	-0.933	50	10	BBGE	
Cc1cc(C(=O)NNCCO)ccc1O	1929836194	FLADSDKXTWFFPN-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
CC(C)CC(C)(C)NC(=O)C(=O)NN	1932141823	DWLILBRUTNMLEF-UHFFFAOYSA-N	201.270	-0.083	50	10	BBGE	
CO[C@H]1CNCC[C@H]1C(=O)NN(C)C	1932347243	JIUPXCKYURRPCD-SFYZADRCSA-N	201.270	-0.796	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(N(C)C)C1	1937545254	KHIFMFMGCWXEDF-ONGXEEELSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(=O)NC1([C@@H]2CCCO2)CCC1	1937805689	ISKDPZHEUQKTGB-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
O=C1CN(C[C@H]2C[C@]23CCOC3)CC(=O)O1	1939705700	OKTICHAMNVKLSU-KCJUWKMLSA-N	225.244	-0.202	50	10	BBGE	
Cc1ccncc1Cn1ccc(B(O)O)n1	1939945442	DGUMSQNWPWLXCI-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)N1C	1941082959	KWSCEKHFSXDXBF-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C[C@H]1C[C@@H]1C(=O)NN	1941090489	OFSUVLWQWCGKPF-ZNSHCXBVSA-N	238.335	-0.609	50	10	BBGE	
CC[C@H]1COC[C@@H]1N(C)CCOCC(=O)NN	1941772228	GFQLLLMCHNLHRK-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
Cn1nccc1COc1cccc(B(O)O)c1	1945468262	MMXLHCSQEHEFBP-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
C[S@@](=O)CC1CN(C[C@H](O)CCl)C1	1953821186	INKWKUMRMIUAGM-AMIZOPFISA-N	225.741	-0.104	50	10	BBGE	
CC[C@H](O)CN(C)C[C@@H](C)C(=O)NN	1955925940	DROIKYSKZXPJMH-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@@H]1C(=O)NNCCO	1956204605	BKVUJYYYYUXDBT-NTSWFWBYSA-N	208.208	-0.109	50	10	BBGE	
Cn1nnc(C(=O)N2CC=C[C@H](Cl)C2)n1	1960191924	TWRNUNORLFTHLV-LURJTMIESA-N	227.655	-0.171	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@H](C)CC(=O)NN	1960662119	CJUFPIZONXDTMI-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
CCN(C)[C@@H]1CCCN(CC(=O)NN)C1	1961463257	QPDHKVHSYDGTDK-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1C(F)F	1961505493	ZVKSGHZNVPVJLA-RITPCOANSA-N	223.223	-0.669	50	10	BBGE	
COCCO[C@@H]1CCN([C@@H](C)C(=O)NN)C1	1976096816	MIOQNSRKAGZMAC-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(C)c1nc(C(=O)NCB(O)O)co1	1976807768	XUHRMISUUDWYIJ-UHFFFAOYSA-N	226.041	-0.286	50	10	BBGE	
C[C@H](CN1CC[C@H](O)CC1(C)C)C(=O)NN	1980722853	NSMZRKQKFLAURF-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	1981217899	YSCSDAZSLIYIFK-VGMNWLOBSA-N	227.308	-0.542	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3C[C@H]32)c1B(O)O	1981408942	HCJGYLRESXJILZ-DTWKUNHWSA-N	218.065	-0.332	50	10	BBGE	
COC[C@H](C)Oc1nc(C)ccc1B(O)O	1981425648	IPFNPAMPJHUIFK-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
Cn1ccnc1Sc1ncncc1B(O)O	1981454469	KEAQVMVWMGSEKO-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
CC(F)(F)CCn1cc(B(O)O)ccc1=O	1984102595	VUPKKIOSRCHJEX-UHFFFAOYSA-N	231.007	-0.427	50	10	BBGE	
CN(C)[C@H]1C[C@H](OC[C@H]2C[C@H]2C(=O)NN)C1	1986221511	PKNHZBMOFUCBGU-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
O=C1C[C@H](N=c2[nH]nc(CCCl)o2)CCN1	1987024474	GLNYJXZPXXBXIS-ZCFIWIBFSA-N	244.682	-0.037	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CCn1cc(B(O)O)cn1	1987333076	BFAOTBKTIQFCPI-PSASIEDQSA-N	224.069	-0.622	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2COC[C@@H]2F)[nH]1	1989320151	WGYMOZQSOSQNIX-WHFBIAKZSA-N	247.661	-0.406	50	10	BBGE	
C[C@H](CN)SC[C@H]1CCC[C@H](C(=O)NN)O1	1990164568	PDABBFSZNFTRAO-IWSPIJDZSA-N	247.364	-0.006	50	10	BBGE	
Cn1cc([C@H](N)C(=O)NC[C@@H]2C[C@H]2Cl)nn1	1991454129	XQDCGBKEHGHENC-BBVRLYRLSA-N	243.698	-0.442	50	10	BBGE	
N[C@@H]1CN(C(=O)C=CC(=O)Cl)CC[C@@H]1CO	1991649805	HUVHSEGVHJZHLL-HTQZYQBOSA-N	246.694	-0.524	50	10	BBGE	
N[C@H]1CN(C(=O)/C=C/C(=O)Cl)CC[C@@H]1CO	1991709305	HUVHSEGVHJZHLL-FLPBZWPXSA-N	246.694	-0.524	50	10	BBGE	
C=C(CN1CCO[C@H](C(F)F)CC1)B(O)O	1992153838	RVACRLNTOGJQEY-QMMMGPOBSA-N	235.039	-0.089	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](OCCOC)C1	1996764710	KLSFKMPVYIJUOS-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
COCCOC1CCN([C@H](C)C(=O)NN)CC1	1996866439	BUHLKJXVOFPTRN-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@@](O)(CC(=O)O)C1	1997999522	PEQJYUPPZSFROV-SNVBAGLBSA-N	245.279	-0.526	50	10	BBGE	
CC(C)(CN1CCOC[C@@]1(C)CO)C(=O)NN	2003267689	KQMBWVBGSQTVLP-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1CC[C@H](N(C)c2ncc(B(O)O)cn2)C1	2004919499	ZRFSGFRPAPVRQL-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@@H]32)c(F)c1	2005017396	DSMJPXALUFXQDF-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
CN(CC(C)(F)F)c1ncc(B(O)O)cc1F	2005017782	JYXZKSSYTCGVAZ-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1ccc(C(=O)NN)nc1	2007739980	CQVOUDJVAHYZMP-ZETCQYMHSA-N	234.259	-0.194	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ncc(B(O)O)cc1F	2009012511	NUNLOSDKMWPVLY-RXMQYKEDSA-N	248.013	-0.010	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1OCC[C@@H]1F	2009181244	IXGOGCCDYGLDQF-GXSJLCMTSA-N	240.039	-0.128	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)c(C)nn1	2020059846	RGFZTDMEOFGWBH-UHFFFAOYSA-N	235.052	-0.609	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NCC=CB(O)O)C1	2020062309	PXCQEFOAYJBTEV-SECBINFHSA-N	241.096	-0.124	50	10	BBGE	
CN1CC[C@@H](OCc2ccccc2B(O)O)C1	2021068776	SEBBHJKIDICFPV-LLVKDONJSA-N	235.092	-0.413	50	10	BBGE	
C=C(CN1CCC[C@H](n2cncn2)C1)B(O)O	2021157336	KWBOCLUJZRKDSR-JTQLQIEISA-N	236.084	-0.517	50	10	BBGE	
CCC12COC(C(=O)NCC=CB(O)O)(C1)C2	2025060686	VRXHADPSJTVFJV-UHFFFAOYSA-N	239.080	-0.370	50	10	BBGE	
CN(C)C(=O)N1CCCc2c(B(O)O)cccc21	2028393320	AGAUGLPZXRURNH-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
CN1CC(N(C)[C@H](C(=O)NN)c2ccccc2)C1	2028803241	AKQNPKGMTLAOMH-LBPRGKRZSA-N	248.330	-0.037	50	10	BBGE	
OB(O)c1ccc(N2CCOC3(CCC3)C2)nc1	2052466190	HAXPKQAUKPKTSN-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CO[C@@H]1CN(c2ccncc2B(O)O)CC12CC2	2052468494	DLKXGHXLYAPUKE-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C[C@H]2CC[C@H]1C2	2052469607	SRINIVROWPOTPP-QXEWZRGKSA-N	247.107	-0.219	50	10	BBGE	
Cc1cnc(N(C)Cc2cocn2)c(B(O)O)c1	2052626140	BFCMRVNOMHQPAO-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
NNC(=O)c1occc1Cn1ccc(O)cc1=O	2054655599	RBKLZBBGNQZZFY-UHFFFAOYSA-N	249.226	-0.201	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(OC)c1B(O)O	2060016150	ROXSJFRATJBOPW-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@H]2C2CCC2)nc1	2079937503	YOCKRPVXZRZMKE-ONGXEEELSA-N	248.091	-0.029	50	10	BBGE	
CN1CCC[C@@H]1COCCC(=O)NN	2209910199	VVOAZOOPTBYOOM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
O=c1ccn(Cc2cc(B(O)O)cs2)cc1	2211071543	CZEGMQHYJGZNCI-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNc1cc(B(O)O)ccn1	2212601410	NOXNNFVTZUXLRF-XCBNKYQSSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@H]32)nc1	2212603506	OYFUKKRIPRQOJJ-NBEYISGCSA-N	219.053	-0.633	50	10	BBGE	
CN1CC[C@H](COC[C@H]2CC[C@@H]2C(=O)NN)C1	2215773567	BRDOBVWJSCOQGM-AXFHLTTASA-N	241.335	-0.029	50	10	BBGE	
C=CCCOC(=O)Nc1cc(B(O)O)ccn1	2216300391	YQUUBMOWOVDHRU-UHFFFAOYSA-N	236.036	-0.114	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1nccc(B(O)O)c1F	2217181708	TYXDGTWDGGOYND-JGVFFNPUSA-N	239.059	-0.808	50	10	BBGE	
CC#CCCCN=c1[nH]ccc(B(O)O)c1F	2217184875	RTGGCVRHTPTCNU-UHFFFAOYSA-N	236.055	-0.462	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H](CO)C2)cc1B(O)O	2217185272	ZWPYSAWJNCHHKI-KYZUINATSA-N	236.080	-0.747	50	10	BBGE	
C[C@H]1CCOCCN1c1cc(B(O)O)ccn1	2217197543	NOKGAYSCRFFYPW-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
CC1(C)C[C@@H](O)CN1c1ncccc1B(O)O	2217201242	CUKJAAUMPBBAEF-MRVPVSSYSA-N	236.080	-0.889	50	10	BBGE	
N[C@@H]1CCCCN(c2ccc(B(O)O)cn2)C1	2217204568	LTDDBGSYTJNZEE-SNVBAGLBSA-N	235.096	-0.921	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1c1cc(B(O)O)ccn1	2217204864	PYCCYENMQNZJJW-SCZZXKLOSA-N	235.096	-0.923	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCNC1	2223629605	VRBHPSLYBDEVPN-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(N[C@@H]2CNC[C@H](C)C2)cc1B(O)O	2223646917	QXWNVBXQYSDMQL-SCZZXKLOSA-N	249.123	-0.520	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@H](N)C1	2223648243	JAEPEFBCETWJEF-UWVGGRQHSA-N	249.123	-0.533	50	10	BBGE	
C#CC[C@](C)(CN)COc1cc(B(O)O)ccn1	2223667334	RHTQMIFQABYWJP-GFCCVEGCSA-N	248.091	-0.872	50	10	BBGE	
NCCCN(CCO)C(=O)[C@@H]1C[C@@H]1Cl	2241422267	ITVZTBOJGCJGTF-SFYZADRCSA-N	220.700	-0.217	50	10	BBGE	
C[C@@H](CF)NC(=O)C1CC(B(O)O)C1	2241481453	VAGAVPFJCSIKED-VTSJMVTISA-N	203.022	-0.286	50	10	BBGE	
O=C(NC1CSC1)[C@H]1C[C@H](B(O)O)C1	2241494784	CXXPEKRYVDVQMR-IZLXSQMJSA-N	215.083	-0.529	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H](C)F	2243348239	VVFTWXNZAKYMDK-YFKPBYRVSA-N	229.016	-0.644	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC2(CC2)C1	2243348517	YVQGXRAOIRJEOU-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccc(B(O)O)o1	2243349709	PHYLOPHAGJCYSA-RXMQYKEDSA-N	230.963	-0.903	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccoc1B(O)O	2243349986	UBTXXVPNAIRVCU-HTRCEHHLSA-N	223.037	-0.512	50	10	BBGE	
C#CCN(C(=O)C#CB(O)O)C1CCCC1	2243356938	OXCXWBJYFSAQJV-UHFFFAOYSA-N	219.049	-0.594	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccsc2B(O)O)C1	2243359694	WLBPXTONMJORFD-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)o2)[C@@H]1C	2243362609	UEOYFNBQMGLERI-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2243381196	DIAWEOVRKCOIGE-XGEHTFHBSA-N	227.069	-0.610	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243382417	NZFVRKOVOYDLES-XNWIYYODSA-N	221.065	-0.279	50	10	BBGE	
O=C(NC1CC=CC1)c1sncc1B(O)O	2243385200	DYUUBTODNQTGNG-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H](CO)C1	2243391432	KMRLIODYFFQGNC-XHNCKOQMSA-N	227.069	-0.920	50	10	BBGE	
CC1(C)CCC(=O)N1C(=O)[C@H]1C[C@H]1B(O)O	2243395966	FMYJHLBWSDNJDA-NKWVEPMBSA-N	225.053	-0.223	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243397017	UJHDRPDNTLDDQI-GUBZILKMSA-N	221.065	-0.136	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ccoc1B(O)O	2243404765	UDUHZOZYDDNQNR-SSDOTTSWSA-N	225.053	-0.266	50	10	BBGE	
COCC1CC(NC(=O)C2(B(O)O)CC2)C1	2243410013	TWCXSOOETMHWRR-UHFFFAOYSA-N	227.069	-0.465	50	10	BBGE	
CC(C)[C@H](N)CNC(=O)C1CC(B(O)O)C1	2243413390	FOECIIJRYYEMOP-AMDVSUOASA-N	228.101	-0.661	50	10	BBGE	
Cc1sc(C(=O)NCCC#N)cc1B(O)O	2243415775	BEVTUOAAYRHDTA-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=C(C)CC1)B(O)O	2243433966	SEYZVYDLEYXFTM-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1(Cl)CC1	2243710975	OPWYZHUKUKKZOR-UHFFFAOYSA-N	240.455	-0.529	50	10	BBGE	
CC(C)NC(=O)CN1CCC(B(O)O)CC1	2244179152	XWNAESSIAAOCBT-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
O=C(NCC=CCl)c1cncc(B(O)O)c1	2246254572	XVTONPXXKMDHMR-UHFFFAOYSA-N	240.455	-0.756	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1ccoc1B(O)O	2247741152	VLGHPUWMADPISF-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)o2)C1	2247741340	YCVZADHOAPTWHP-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H](C)N1	2247751275	VTWJCYIIXYQXCQ-DTORHVGOSA-N	240.112	-0.408	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1CNC(=O)C1(B(O)O)CC1	2247763175	MANXIGBTJWUCAM-YUMQZZPRSA-N	240.112	-0.517	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ncccc1B(O)O	2247769947	MKYALSSMBXPDGQ-APPZFPTMSA-N	234.064	-0.710	50	10	BBGE	
CC[C@@H](C)[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2247781743	NPNURVOJSUKWEC-RQJHMYQMSA-N	239.084	-0.746	50	10	BBGE	
CC(C)NCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786603	CYTFILZFALHPSB-AOOOYVTPSA-N	242.128	-0.256	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCCN1	2247796993	FIPQIJRQPHKBIL-ATZCPNFKSA-N	240.112	-0.502	50	10	BBGE	
CCCC[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2247800458	PIANKYWEURDASB-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]1C(F)F	2247849241	XOYJDRDGKUZPEW-RXMQYKEDSA-N	244.990	-0.561	50	10	BBGE	
C=C(F)CNC(=O)c1nc(C)ccc1B(O)O	2247852841	AQLHHBRPYJIEBC-UHFFFAOYSA-N	238.027	-0.717	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC(F)C1	2247856348	IGPUJLUGWIGJRD-UHFFFAOYSA-N	241.002	-0.701	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCN2CC[C@H]1C2	2247858462	FNSVGRCBWCPIKS-AEJSXWLSSA-N	238.096	-0.844	50	10	BBGE	
C[C@H](F)CNC(=O)c1cccc(B(O)O)c1F	2247871293	YYVDXMMZKNFGEE-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2247878515	KZFOBMAYWRTQLX-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
NCC1(F)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247886389	BFHSACAMJSRAFV-SFYZADRCSA-N	244.075	-0.861	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C[C@H]1N	2247886767	GCRPUAZTHSUROA-RYPBNFRJSA-N	240.112	-0.661	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247891845	OUBCZINMOXGPKD-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(C(=O)NCC(C)(C)F)oc1B(O)O	2247892250	WVFXAMUCKKQHEL-UHFFFAOYSA-N	243.043	-0.254	50	10	BBGE	
Cc1nc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)no1	2247899203	LHYZKNQBHXHVEW-RQJHMYQMSA-N	239.040	-0.801	50	10	BBGE	
CC1(CC(=O)O)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248587814	UWVWXMZBSPAWKK-RQJHMYQMSA-N	241.052	-0.828	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1CC(N)=O	2249305500	LNAASDVLIOOAPW-DJLDLDEBSA-N	242.323	-0.659	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2249613941	OHSPKHITZTVVNV-KATARQTJSA-N	239.319	-0.685	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2251726377	JJYXNGUGXGZASE-BBBLOLIVSA-N	240.112	-0.693	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2c(c1)OCO2	2255468524	BXZMDBFJONNQCM-UHFFFAOYSA-N	247.015	-0.953	50	10	BBGE	
Cc1ccnnc1CN(C)C(=O)C1(B(O)O)CC1	2255490876	OPLCWKBLTWVDMX-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
Cc1ccc(C(=O)N2CCCCN2)cc1B(O)O	2255512843	GYFNYVZRHXMNMQ-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2255670154	CYGVCDZAEUKEFG-YNCDLQQUSA-N	246.075	-0.825	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1cc(B(O)O)c[nH]1	2255671983	ZDQUBYDWBXMOJN-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ncccc2B(O)O)[C@@H]1C	2255690342	ZISKSHWAASYTEX-MRTMQBJTSA-N	248.091	-0.464	50	10	BBGE	
CC1CC(C)(NC(=O)c2ccc(B(O)O)cn2)C1	2255715038	ZPMBDITXEXEGME-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(C(=O)N2CC3(CC3)C2)cc1B(O)O	2255735186	OTISOYXPZRMKNK-UHFFFAOYSA-N	245.087	-0.089	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1c[nH]nc1B(O)O)C2	2255791930	YBUWQSNPIWITRR-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1ncc(C)cc1B(O)O	2255805226	NKSIZUDDSSDUOZ-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
CC#CCC(=O)Nc1cc(B(O)O)ccc1OC	2256739899	PFWLZIZOPPHSGH-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1cc(B(O)O)co1	2258126768	WSSXQTDFUXBZDN-JTQLQIEISA-N	249.075	-0.263	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@H]2CC[C@H]1C2	2258137376	VVQKQRQBFXITPG-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
O=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	2260824875	IGKMOKPYXOLOSU-BDAKNGLRSA-N	249.031	-0.974	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](F)[C@H](CO)C1	2298166035	OPWIOOLAFNKSBG-AXTSPUMRSA-N	245.298	-0.735	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2NCC[C@@H]21)C1(B(O)O)CCC1	2298368159	QKHPGLKHARSJQS-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1[C@H](COC)C(=O)NN	2300046824	GTWBZFWKKWXQGB-WCABBAIRSA-N	245.323	-0.773	50	10	BBGE	
O=Cc1ccc(N2CC(CF)C2)cc1B(O)O	2301420873	MVHBPKNREQOUEN-UHFFFAOYSA-N	237.039	-0.415	50	10	BBGE	
CO[C@H]1C[C@@H](N2CC[C@H](B(O)O)C2)C[C@H]1OC	2303097434	BBKZULSDCVNDRN-MMWGEVLESA-N	243.112	-0.273	50	10	BBGE	
CN1CC[C@H](CN2CC[C@](C)(B(O)O)C2)C1=O	2303162494	UEFQTYZXNJRBBR-KOLCDFICSA-N	240.112	-0.597	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2307311228	DVNILTOLIGLQRO-IWSPIJDZSA-N	240.112	-0.422	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCCOC1	2317151628	SNPOKXYIKBGMCQ-NSHDSACASA-N	246.075	-0.171	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2318348855	VCIOERRDXGMUSI-LSJOCFKGSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cnn(Cc2cnc3c(c2)CCC3)c1	2319491353	GYOCUFVAEPZGAL-UHFFFAOYSA-N	243.075	-0.505	50	10	BBGE	
COc1ccc(OCC(=O)NNC=O)cc1	1956499	JNDIWGJQFUGJLJ-UHFFFAOYSA-N	224.216	-0.149	50	10	BBGE	
CC(=O)NNC(=O)COc1ccc(N)cc1	38055660	MFFYZYHWZSBXIS-UHFFFAOYSA-N	223.232	-0.185	50	10	BBGE	
C[C@@H](CCc1ccco1)NC(=O)C(=O)NN	49571859	GGJUOYBHVXZZTE-ZETCQYMHSA-N	225.248	-0.293	50	10	BBGE	
CC(C)(C)OCCn1cc(C(=O)NN)nn1	82464554	DOGRLHAASLLMDN-UHFFFAOYSA-N	227.268	-0.303	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccccn1	82467741	LWSBDPDSLKSIEK-QMMMGPOBSA-N	208.265	-0.108	50	10	BBGE	
COCCN(CCC(=O)NN)[C@H](C)COC	82470587	LFMDGJXEULBSAP-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC[C@H](Sc1nnc(N)n1C)C(=O)NN	82473342	HXJLZGKLODUHHO-BYPYZUCNSA-N	230.297	-0.742	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)N1CCOCC1	83211569	NBSLCLISVPXMEF-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
Cc1nnsc1C(=O)NNC(N)=O	83576414	PWOOVARVPJLXKN-UHFFFAOYSA-N	201.211	-0.840	50	10	BBGE	
N#Cc1ncn([C@H](C(=O)NN)c2ccccc2)n1	104112152	LUQMPSOMZKZJRI-JTQLQIEISA-N	242.242	-0.271	50	10	BBGE	
COCCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	110582920	UIUKULFYEJYMFA-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCc1nccn1C[C@@H]1CC[C@@H](C(=O)NN)O1	110602864	DQTHMTCOCFEXLF-IUCAKERBSA-N	238.291	-0.017	50	10	BBGE	
CC(C)[C@@H](Oc1cnn(C)c1)C(=O)NN	161339050	HQQBPBCGZDNLLX-MRVPVSSYSA-N	212.253	-0.187	50	10	BBGE	
O=C(CNC1CC1)NNC(=O)c1ccccc1O	181409130	JOLUCDKQVMTILS-UHFFFAOYSA-N	249.270	-0.095	50	10	BBGE	
CC(C)[C@@H](N)C(=O)N[C@@H](CCl)C(=O)O	196543359	QELMAJBJHZGQCH-NTSWFWBYSA-N	222.672	-0.222	50	10	BBGE	
C[C@@H]1CN(C)CCCN1CC(=O)NN	235325900	SQAJGANDUXTWMU-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@H](Br)C(=O)NCCNC(N)=O	235433565	DNXCLOUPDNBOER-BYPYZUCNSA-N	238.085	-0.446	50	10	BBGE	
CNNC(=O)[C@@H](N)CC1CCN(C)CC1	258945579	ANFQMORPZSTGGI-VIFPVBQESA-N	214.313	-0.704	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)[C@@H]1CO	299917778	YNMHHRCHPNCXJY-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
Nc1cc(C(F)(F)F)cc(B(O)O)n1	306195621	IQICOHHCZQDHJU-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
N[C@@H]1C[C@@H](I)CNC1=O	306237968	PETGTHZFAMKFMA-QWWZWVQMSA-N	240.044	-0.363	50	10	BBGE	
CC1(C)[C@H](O)CCN1CCC(=O)NN	307300872	JKRHUYRNEHACTH-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
CCC(=O)NN=C1CCS(=O)(=O)C1	308286421	DSBBTFRGNVGWIH-UHFFFAOYSA-N	204.251	-0.313	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@@H]1CCCCO1	379236464	SQVFDNFGDZEIAO-BQBZGAKWSA-N	215.253	-0.950	50	10	BBGE	
NNC(=O)[C@@H](CN1CC[C@@H](N)C1)c1ccccc1	384334618	QNXCVHBUNCUJNH-NEPJUHHUSA-N	248.330	-0.207	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)[C@@H]2COC[C@@H]21	384776496	GPYSZFULGPYQMD-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
CCOC(=O)c1nc2c(B(O)O)cccc2o1	396091658	DCHQYZRPGQYCEU-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
N#Cc1ccc(B(O)O)c2scc(CO)c12	396224910	POLJEYKHHXPLBT-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1cc(O)c2cc(B(O)O)sc2c1	396391176	YUOKHMALKOEQFP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CC[S@@](C)=O)CCC(C)(C)C(=O)NN	399984114	PWCNALWSEDZKIC-MRXNPFEDSA-N	249.380	-0.297	50	10	BBGE	
O=C1N[C@H](C(=O)NNC(=O)c2ccccc2)CO1	495793739	OWJXCNXGVHKQNK-QMMMGPOBSA-N	249.226	-0.444	50	10	BBGE	
CC1(C)CC(=O)NCCN1C(=O)NN	606275391	VBFXFXAERHUNIC-UHFFFAOYSA-N	200.242	-0.830	50	10	BBGE	
CO[C@H](CCN)C(=O)N1CCC(O)(C#N)CC1	692179442	WDXALPVWRPPGDU-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
OB(O)c1ccn(CCC2CCOCC2)n1	694311119	WRTPRKUQARICTN-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](N2CCC2)C1	702302661	TXEPFERPDFKDAG-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
Cn1[nH]nnc1=N[C@@H]1CCOC[C@@H]1Cl	706705300	ZAFGRRGPRNCCHM-NTSWFWBYSA-N	217.660	-0.560	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H]3C[C@H]32)cc1	707091111	XBIAHYQUOPWECF-ZYHUDNBSSA-N	217.077	-0.039	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(n2ccnc2)C1	707384761	LPEVIRNDZNCGBH-SSDOTTSWSA-N	209.253	-0.882	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](C)[C@H](CO)C1	708084071	YVATYGZTNNQALZ-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)NN	720446238	OCSIFDVPXVDIQI-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@]1(C)CO	723001389	XJXKRUQEXORTDH-SCZZXKLOSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccn(C)n1	723523027	DEANZVYTUICGHG-SECBINFHSA-N	225.296	-0.380	50	10	BBGE	
O=C(NN=C[C@@H]1CCOC1)[C@H]1COCCO1	745207806	HNLKOEXICISDLN-DTWKUNHWSA-N	228.248	-0.460	50	10	BBGE	
CC(C)OC(=O)NNS(=O)(=O)c1cnc[nH]1	842587507	CCQDSPGIUYNIAW-UHFFFAOYSA-N	248.264	-0.262	50	10	BBGE	
C[C@@H](NCc1ccc(B(O)O)cc1)C(C)(C)O	863889261	WUPGBBCCGMNSPP-SECBINFHSA-N	237.108	-0.385	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cncc2nc[nH]c12	910141786	ZJXPZSUXIIAXGU-ZETCQYMHSA-N	249.274	-0.085	50	10	BBGE	
O=C(CC1CC1)NNC(=O)C[C@@H]1COC(=O)C1	1159628478	ZNBYVYWVPQRQHO-QMMMGPOBSA-N	240.259	-0.113	50	10	BBGE	
O=C(NNC(=O)C1(C2CC2)CC1)c1cnn[nH]1	1443542624	QHDZTPDUNUOWKT-UHFFFAOYSA-N	235.247	-0.244	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1cccnn1	1583536267	AUZJERLXZLULRD-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1ccc(C)o1	1629217257	TWFRWEIBKHWXTC-SSDOTTSWSA-N	224.216	-0.104	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H]1O)[C@H]1C[C@@H]1Br	1883531115	MGNVELDCYNEDBG-YTLHQDLWSA-N	249.108	-0.781	50	10	BBGE	
Cn1nnnc1CCNC(=O)OCCl	1884748024	MIHUIFTYIHDFNQ-UHFFFAOYSA-N	219.632	-0.325	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](F)C1=O	1889026887	DBTVXQDBPFQNPH-ZCFIWIBFSA-N	203.217	-0.673	50	10	BBGE	
CCC[S@@](=O)N1CC[C@@H](B(O)O)C1	1891606814	JHYKQXFCXJAZHJ-FUXBKTLASA-N	205.088	-0.391	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC(=O)C1=O	1891993789	IXZGCPFEZABSJS-YFKPBYRVSA-N	201.613	-0.924	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@H]1CF	1892923332	FDQZZTDVHSVEAL-RQJHMYQMSA-N	201.006	-0.724	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCNC1=O	1900535796	WQWHFCAEUIXMCU-YUMQZZPRSA-N	226.280	-0.582	50	10	BBGE	
CC(C)=C(CN1CCN2CC[C@H]1C2)B(O)O	1901703104	UBHZFVGJXXWWCC-JTQLQIEISA-N	224.113	-0.275	50	10	BBGE	
CO[C@H](C)CC(=O)N1CC[C@@](C)(B(O)O)C1	1902512723	OMOIKMONLZRZSX-PSASIEDQSA-N	229.085	-0.123	50	10	BBGE	
Cc1nc(CN2CC[C@@](C)(B(O)O)C2)no1	1902517412	INQOEXXIZQACRA-SECBINFHSA-N	225.057	-0.183	50	10	BBGE	
NNC(=O)CCCCN1[C@H]2CC[C@@H]1C[C@@H]2CO	1907249558	GANRABDRSYCRMX-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](Cn1ccsc1=O)C(=O)NN	1912216150	YJBPPLBJTUQSLQ-RXMQYKEDSA-N	201.251	-0.464	50	10	BBGE	
NNC(=O)C(F)(F)CN=S1(=O)CCCC1	1913852173	CCCSWBVWFPQPHX-UHFFFAOYSA-N	241.263	-0.127	50	10	BBGE	
C[C@H]1[C@H](O)CCN1Cc1nc(C(=O)NN)co1	1914257783	UKSUFONNLFJENC-POYBYMJQSA-N	240.263	-0.767	50	10	BBGE	
CO[C@@H]1CCN(Cc2cccc(B(O)O)c2)[C@H]1C	1914308922	OATLMRQYXKRRTH-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(COC)C1	1916280706	BHBRWEHIVAKYET-MRVPVSSYSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926418364	AMXHHRXWRBPKFT-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)COCCN(CC1CC1)C1CC1	1936525722	IAHQNLYKFWEQIB-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSCCCON)O1	1936841435	NNAKYOGRQTWDCO-HTQZYQBOSA-N	249.336	-0.463	50	10	BBGE	
CN1C[C@H](NC(=O)Cn2ccnc2)[C@H](Cl)C1	1937195160	XUWKACAZMOFYTI-BDAKNGLRSA-N	242.710	-0.079	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CC(C)(C)C(=O)NN	1939636503	CRJNUKYQFWHMOK-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@H](C1=O)C2(F)F	1941087635	CMYOYDFTKKZQPK-DBRKOABJSA-N	245.229	-0.664	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)CCOCC(=O)NN	1941772379	IMDVYMJHVHCPGA-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC=CCO2)C1	1946044075	NLFPZMZKAAAYHB-NXEZZACHSA-N	237.303	-0.357	50	10	BBGE	
CN(C)NC(=O)[C@H]1CNC(C)(C)CO1	1955488829	VYXNDOIJPBDKMW-SSDOTTSWSA-N	201.270	-0.654	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)CCO1	1956255857	FHOITKVHFKGWRR-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
C[C@@H]1CC(=O)NCCN1C[C@@H](O)CCl	1956255970	HAXGLIUGDXZQNU-SFYZADRCSA-N	220.700	-0.204	50	10	BBGE	
OB(O)c1csc(N2CC[C@H]3CC[C@H]32)n1	1961717816	GPXXWEBVWOHUNB-RNFRBKRXSA-N	224.094	-0.188	50	10	BBGE	
CN(C)CCO[C@H](C(=O)NN)C(C)(C)C	1974649506	XDJCLUJBZJOAQF-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)CC12CCC2	1975982354	LWEOFQJNUMNOJY-YUMQZZPRSA-N	223.276	-0.233	50	10	BBGE	
C[C@H](C(=O)NN)N1CCS[C@@H]2COCC[C@@H]21	1980828679	PMSDCVGWQWVIBQ-HRDYMLBCSA-N	245.348	-0.429	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1C[C@@H](C)C(=O)NN	1981411045	GSXYYJWUGWODOX-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
Cc1cc(N2CC(C)(C)C2)ncc1B(O)O	1981414662	UWSFCCQXUUCIRI-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
Cc1nc(N2CC3CC2C3)ncc1B(O)O	1981445547	KOQSUDIFGVYFHT-UHFFFAOYSA-N	219.053	-0.937	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC=CC[C@H]1CO	1983179340	MULQLBNHWSUNTF-GUBZILKMSA-N	227.308	-0.376	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@@H]1CF	1985768395	YDPQCGDOCLAXGG-YIZRAAEISA-N	233.287	-0.329	50	10	BBGE	
COC[C@H](Oc1cn(C)nc1C)C(=O)NN	1986050402	WIFHYQJOXQUEBF-QMMMGPOBSA-N	228.252	-0.888	50	10	BBGE	
CN(CC(=O)NN)C1CC2(CCOCC2)C1	1988463411	FJIHJEPUNTWFEI-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@H](C)CC1	1990775609	XVWUXUKDTBJDPQ-MRVPVSSYSA-N	245.348	-0.019	50	10	BBGE	
CC(C)OCC(=O)N[C@H]1CCC=C1B(O)O	1991326788	KPXNQXBEDNCTDV-VIFPVBQESA-N	227.069	-0.372	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1NC(=O)C=CC(=O)Cl	1991655481	WSGXSPUZPQXNQC-XRGYYRRGSA-N	246.650	-0.933	50	10	BBGE	
CN(C[C@@]1(O)CCOC1)C(=O)/C=C/C(=O)Cl	1991711893	AHPYUOOPOPNHAZ-PBKGFPTLSA-N	247.678	-0.082	50	10	BBGE	
C=C(CN1C[C@@H](CC)[C@@H](N(C)C)C1)B(O)O	1992147108	ZDZQGTDCYGROOB-MNOVXSKESA-N	226.129	-0.173	50	10	BBGE	
C=C(CN1CC(N2CCSCC2)C1)B(O)O	1992168389	ZQXKNZYRKCFTHB-UHFFFAOYSA-N	242.153	-0.712	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](n2cccn2)C1	2004328583	XSNPIWBVEACWLI-ZJUUUORDSA-N	237.307	-0.102	50	10	BBGE	
OB(O)c1cccnc1N1CCOC2(CC2)C1	2004934294	DFHVMDRDNZRPQJ-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CN(C[C@H]1CCOC1)c1ncccc1B(O)O	2004935849	QVPKAGODRZGRKT-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
COC[C@@H]1CCN(c2ccncc2B(O)O)C1	2004936009	SUSSHUITMKFLFW-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CCC2CC2)n1	2005014063	FYOWETUSOBXSBO-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005992339	RJMBUGAZFFLMMU-ZRUFSTJUSA-N	241.335	-0.439	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1C1(O)CC1	2013931781	YJBLJHVXHZIDJH-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](OC)C(C)C	2014868586	XZYQAXLNGAAWTK-VHSXEESVSA-N	247.339	-0.406	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC2(CC2)C1	2014925705	DSIXQINRDYWFOC-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](OC(C)C)C1	2019212671	SWECELRUEQSIQY-SNVBAGLBSA-N	243.307	-0.347	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NCC#CB(O)O	2021157211	JAVMBZKAQQNOIM-CHWFTXMASA-N	235.092	-0.200	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COc1ccccc1C(N)=O	2028046202	UKEZZLFMCVIMLS-APPZFPTMSA-N	249.270	-0.210	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCCC[C@@H]21	2052467220	OBMFQIKGXRXNRO-ONGXEEELSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)ncc1B(O)O	2052554942	BXXFURZMXFVLHF-OYNCUSHFSA-N	249.123	-0.054	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)c1ccnn1C	2052795990	SHQNSDKDPBITCB-UHFFFAOYSA-N	245.091	-0.264	50	10	BBGE	
O=Cc1c(B(O)O)ccc(Cl)c1[N+](=O)[O-]	2060132163	XPLJIQRIZFUJPN-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
C[C@H]1OC2(Cn3cccc(B(O)O)c3=O)CC1C2	2068638295	QRZSLNNFIUVLLI-YDNLMGDJSA-N	249.075	-0.904	50	10	BBGE	
O=C(O)c1ccc(F)c(B(O)O)c1F	2070386830	VSWPYPPQAYKWFF-UHFFFAOYSA-N	201.921	-0.657	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)ccc2F)C1	2079012493	UYLDEQZPMMEMSC-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C[C@]1(C(=O)O)CC[C@]1(C)C(=O)NNCCO	2210587966	SFYNDPXXDGANRI-NXEZZACHSA-N	230.264	-0.510	50	10	BBGE	
CC(C)(CN1CC=C[C@@]1(C)CO)C(=O)NN	2211781591	IUWQGXGLXFSMEU-NSHDSACASA-N	227.308	-0.375	50	10	BBGE	
OB(O)c1ccc(=NCC2CC(F)C2)[nH]c1	2212614954	IXRAXJKWNYEKRD-UHFFFAOYSA-N	224.044	-0.657	50	10	BBGE	
C/C=C/CCCn1cc(B(O)O)cnc1=O	2212715189	INDKXOQTTBCDGC-NSCUHMNNSA-N	222.053	-0.721	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC3CC2C3)nc1	2217172286	IXPRLFZCMIRDLS-SFVIPPHHSA-N	233.080	-0.243	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1c1cc(B(O)O)ccn1	2217179843	BYTPCQXNFGPMAE-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
CC(C)[C@H](Oc1ccc(B(O)O)cn1)[C@@H](C)N	2217183106	FPYHGFYQCXKZCC-KCJUWKMLSA-N	238.096	-0.488	50	10	BBGE	
CC[C@]1(Nc2ncc(B(O)O)cn2)CCOC1	2217198286	ZEYFIJIACGKLRB-JTQLQIEISA-N	237.068	-0.863	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNc1cc(B(O)O)ccn1	2217200964	NAUVYCYQOKMAIC-BDAKNGLRSA-N	236.080	-0.544	50	10	BBGE	
C[C@H]1N(c2cc(B(O)O)ccn2)CCC1(F)F	2217202462	XBMLTYYINBJVPB-SSDOTTSWSA-N	242.034	-0.005	50	10	BBGE	
C#C[C@H]1CCCCN1c1cc(B(O)O)ccn1	2217202549	KWSBZICUJPLWPT-NSHDSACASA-N	230.076	-0.247	50	10	BBGE	
Cc1cnc(N2CC=C[C@@]2(C)CO)cc1B(O)O	2223649532	ANEFXGDMQHMTLJ-LBPRGKRZSA-N	248.091	-0.803	50	10	BBGE	
Cc1cnc(N[C@H]2CCN(C)[C@@H]2C)cc1B(O)O	2223651547	COBWCSOBLCGHPD-KOLCDFICSA-N	249.123	-0.426	50	10	BBGE	
C[C@H]1C[C@@H](C)N(c2ccc(B(O)O)cn2)CCN1	2223652426	JBUUEYXQJHLSMS-VHSXEESVSA-N	249.123	-0.662	50	10	BBGE	
CCn1nccc1CNc1ccc(B(O)O)cn1	2223673139	DTEHDWOKRLPRFI-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)s1	2241469081	ZWNOWJQBWGDBJY-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
CN(C)C(=O)c1scc(B(O)O)c1Cl	2241474362	BNWFXNRPSYLMRW-UHFFFAOYSA-N	233.485	-0.217	50	10	BBGE	
Cc1sc(CNC#N)c(B(O)O)c1C	2241558660	IEGXQXYLXWXHFS-UHFFFAOYSA-N	210.067	-0.385	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H]2C[C@@H]21	2243362369	PWSKHYUAYFYMHB-BQBZGAKWSA-N	221.021	-0.806	50	10	BBGE	
N#CCNC(=O)c1ccc(Cl)cc1B(O)O	2243367420	SMNJUABWWBWPAV-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
CC#CCNC(=O)c1cc(C)c(B(O)O)o1	2243377805	HFWDVKWBBIYOOP-UHFFFAOYSA-N	221.021	-0.979	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)[C@H](C)O	2243398104	MNRMIBRSBBKCEU-YUMQZZPRSA-N	229.085	-0.341	50	10	BBGE	
O=C(N1CCC[C@H](CO)C1)C1(B(O)O)CC1	2243409888	QMPBQLWBOMYFFG-QMMMGPOBSA-N	227.069	-0.776	50	10	BBGE	
CC(C)[C@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420290	PVAUCIUUTOPDKD-IWSPIJDZSA-N	229.085	-0.628	50	10	BBGE	
CSCCCOc1ncnc(C)c1B(O)O	2244761427	IVMCYKZDLJKVEM-UHFFFAOYSA-N	242.109	-0.403	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C(=O)C1(B(O)O)CCC1	2247733155	MXTGCKLHGNOIJU-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
CCCN(CC(N)=O)C(=O)C1(B(O)O)CCC1	2247734050	QZFSCDZMOPMKKX-UHFFFAOYSA-N	242.084	-0.893	50	10	BBGE	
O=C(N1CC[C@H]2CCO[C@@H]2C1)C1(B(O)O)CC1	2247749907	BKOPWFCPPAMYTP-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
CON(C(=O)C1(B(O)O)CC1)C1CCOCC1	2247750874	PEVOGGNQOQQSTC-UHFFFAOYSA-N	243.068	-0.438	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(C)c(B(O)O)c1	2247760544	JSGFVMCXGVFWEZ-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
Cc1cccc(C(=O)N2CCOC2)c1B(O)O	2247760842	OQYSEGPAGVRTLC-UHFFFAOYSA-N	235.048	-0.895	50	10	BBGE	
O=C(N[C@H]1CCNC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247786116	WBTSXMPBRZTIBU-XAVMHZPKSA-N	244.075	-0.944	50	10	BBGE	
O=C(N[C@H]1CNCC12CC2)C1CC(B(O)O)C1	2247804797	IPWMUAMHUUUVDZ-HACHORDNSA-N	238.096	-0.892	50	10	BBGE	
CC(C)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CNC1	2247805126	JNXZKOLTHCJENO-VHSXEESVSA-N	240.112	-0.694	50	10	BBGE	
CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247805380	BODQQQKAQWYBMX-KXUCPTDWSA-N	241.096	-0.219	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247806015	CPXPRJCGBDWXJP-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2c[nH]nc2C1	2247806225	DNJXFEFIIQNVNG-SFYZADRCSA-N	235.052	-0.843	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CO[C@H]2C[C@@H]1C2	2247809064	NKZCQYFARPRMFD-KGDYZURWSA-N	239.080	-0.515	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)O	2247810703	ZJOXOZJFRSKKOE-TURQNECASA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H](O)[C@@H](F)C1	2247852104	OUJDQQWAMKUCBA-JBDRJPRFSA-N	245.059	-0.829	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247854649	GNBPLYSTIQRFAR-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@H]1C	2247855959	AVDFWKYBYZXSGG-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccsc1B(O)O	2247868408	TVCKVKSYRSYHIZ-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
COC1CC(CCNC(=O)C2(B(O)O)CC2)C1	2247877486	HLRCJETWEHLFFC-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]1B(O)O	2247895990	CYCKMENWUTVRDW-RKDXNWHRSA-N	235.048	-0.129	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)[C@@H]1O	2247899765	PXRLXHHSWPEKSC-KGDYZURWSA-N	241.096	-0.675	50	10	BBGE	
Cn1nccc1C=CC(=O)NCC=CB(O)O	2248400928	CSNSGFCQQOWXDG-UHFFFAOYSA-N	235.052	-0.882	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(B(O)O)co1	2249420817	YSUVZASTGWDMMT-BWVDBABLSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1cc(B(O)O)co1	2249428608	RHIUGIMCUSHPTH-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)co2)n[nH]1	2249428632	FALBIRCGANEPAU-UHFFFAOYSA-N	235.008	-0.757	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@@H]1CCCN1	2249873369	DZTXINKFVPHIRH-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2250680819	IADKSYNJAWTGDV-FTYOSLGDSA-N	238.096	-0.953	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1ccc(B(O)O)o1	2255463289	HBJKSOIXEGRCOX-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@H]2C=CC[C@H]1CC2	2255468215	XKUGLNYJZDHBTJ-UWVGGRQHSA-N	246.075	-0.372	50	10	BBGE	
CCCn1cc(NC(=O)C#CB(O)O)ccc1=O	2255468409	AGQCKKUSASFKQD-UHFFFAOYSA-N	248.047	-0.788	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1CC=CCC1	2255507888	FSKXETKLGODPIB-JTQLQIEISA-N	248.091	-0.457	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255553422	YUGVNFXCHCTNJP-CPCISQLKSA-N	249.079	-0.991	50	10	BBGE	
C=C[C@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2255685836	HXOQXEXSQZOKIJ-VIFPVBQESA-N	249.079	-0.826	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CC[C@@H]2C1	2255694006	VWWVLYMAXUCTAD-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1CC=CC1	2255721304	WMDXSUXNYWYLDO-UHFFFAOYSA-N	249.075	-0.036	50	10	BBGE	
O=C(c1c(F)cccc1B(O)O)N1CC[C@H]2C[C@H]21	2255735130	NUGOPYFZGROMAS-OIBJUYFYSA-N	249.050	-0.260	50	10	BBGE	
O=C(Nc1cccn2cnnc12)[C@H]1C[C@H]1B(O)O	2255768287	HNPNSTQIGUFQLR-NKWVEPMBSA-N	246.035	-0.469	50	10	BBGE	
Cc1cc(N2C[C@H]3COC[C@H]2C3)ncc1B(O)O	2258830510	UYOXIEPXORAYIS-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
O=C(N[C@H]1CCN[C@@H]2CC[C@H]12)C1(B(O)O)CC1	2298375010	JZUYEKYJZVPZBP-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@H]21)[C@H]1C[C@H]1B(O)O	2298759078	HXWQJNHILGDWTH-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](N)[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301452840	MVVLVIAIVWPKEO-JGVFFNPUSA-N	237.064	-0.707	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H]2[C@H]1CO	2302060953	QHOMACTUMBDKGS-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	2302568535	RNPHNJNLVCLHIH-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	2302568537	RNPHNJNLVCLHIH-ZDCRXTMVSA-N	241.335	-0.295	50	10	BBGE	
CN1CCC[C@@H](N2CC[C@@](C)(B(O)O)C2)C1=O	2303149806	GBSJYHZKIZMFRR-MWLCHTKSSA-N	240.112	-0.454	50	10	BBGE	
CC[C@@](C)(CN1C(=O)CN(C)C1=O)C(=O)NN	2303439971	WOTRBSOARLLLOX-JTQLQIEISA-N	242.279	-0.713	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@@H](CN)C1	2317152127	YNUPZXQGLPAOEH-VIFPVBQESA-N	245.091	-0.977	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1[C@@H]2COC[C@@H]12	2317163699	ZNAFEEGNTQWFPV-NXEZZACHSA-N	244.059	-0.705	50	10	BBGE	
N[C@@H]1CC[C@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317312407	GQMZLFUXEVYWKN-ZJUUUORDSA-N	248.091	-0.529	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)c1c[nH]cn1	69948303	KGHJBPHPNDYBIR-SSDOTTSWSA-N	242.260	-0.144	50	10	BBGE	
O=C(O)/C=C\C(=O)NNc1ncccn1	70632502	QLZFVJALQQUUQD-IHWYPQMZSA-N	208.177	-0.440	50	10	BBGE	
N#CCC(=O)NNC(=O)c1cccnc1	75259962	NWJFSZFQKSVWLU-UHFFFAOYSA-N	204.189	-0.244	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCN(C)CC1	82466512	PLYUUZUERLEDFG-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1CCC(=O)NN	82470487	IFXZAJJGFUJXCI-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
Cn1cnnc1CNS(=O)(=O)CCl	82512903	FCAZCTPXEWOVDW-UHFFFAOYSA-N	224.673	-0.569	50	10	BBGE	
CC(C)S(=O)(=O)N1CCOC[C@@H]1N=C=O	83877875	HZHROLCVJFJQEU-MRVPVSSYSA-N	234.277	-0.281	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)[C@@H](C)Cl	85086991	RJRPFPKQOJUHMN-UHNVWZDZSA-N	218.640	-0.513	50	10	BBGE	
NNC(=O)Cc1ccccc1CN1CC[C@H](N)C1	123832029	MZAABUMKGALDAF-LBPRGKRZSA-N	248.330	-0.248	50	10	BBGE	
OB(O)c1cnc(NCc2ccccc2)nc1	206037469	ITXGZNXVORHENN-UHFFFAOYSA-N	229.048	-0.232	50	10	BBGE	
C[C@@H](CN)SC[C@H]1CC[C@@H](C(=O)NN)O1	228867835	HUPPUCCAYIUIGL-RNJXMRFFSA-N	233.337	-0.396	50	10	BBGE	
COCCOCCOC(=O)CN=C=O	238356255	RPXAGTXPHIRXKS-UHFFFAOYSA-N	203.194	-0.472	50	10	BBGE	
Nc1nc(C(=O)NN=Cc2ccccc2O)n[nH]1	254763258	YLPKQLINUHHHGV-UHFFFAOYSA-N	246.230	-0.144	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@H](C)C1	300794264	ACHIYSSIYXHWSD-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNC(N)=O	300929228	CVIHYKYNMKWQMA-NTSWFWBYSA-N	201.226	-0.642	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O	300986587	VDMMOCBLKCECQJ-SWKORFGHSA-N	225.292	-0.934	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)[C@H](CO)C1	306322179	BYUCBIBHCUFMRD-NTSWFWBYSA-N	238.081	-0.807	50	10	BBGE	
OB(O)c1cc2cc(O)sc2cc1O	306581860	QCLGYJMCTRDMHX-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
COC1CN([C@H](C(=O)NN)C(C)C)C1	308558315	VPXWIPJWPNNKQE-QMMMGPOBSA-N	201.270	-0.669	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC[C@@H](N)C1	310060511	NHLAOUCHGCVBGN-MRVPVSSYSA-N	235.291	-0.782	50	10	BBGE	
C[C@H]1OCCN(C(=O)NN(C)C)[C@H]1C(=O)O	328462494	KFYYZWAMVQERAW-RNFRBKRXSA-N	231.252	-0.654	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)CCO2	383752904	QFZFEXWVWISUHL-UHFFFAOYSA-N	221.216	-0.450	50	10	BBGE	
NNC(=O)c1coc(Cn2cccn2)n1	386726206	BBFHMVTWVFIRGO-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCl)[C@@H](C)O	387200523	XGEQSQVLIOQZRR-NTSWFWBYSA-N	215.702	-0.086	50	10	BBGE	
C[C@H](O)CN(C)[C@H](C(=O)NN)C(C)(C)C	395574691	ANYQHXRWOUQFRY-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
O=CCCc1cccc(CC(=O)O)c1B(O)O	396131947	GWROKKVVJJILHR-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
Nc1cccc2c(B(O)O)c(C=O)sc12	396279861	XSIWIJOYYFSNMW-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1sc2ccc(B(O)O)cc2c1O	396377503	GGDRDCGHPYBIRH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CSC[C@H]1CCCN1CC(=O)NN	400341246	NNZGZURSWUXXNF-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
CCCCC(=O)Nc1ccnc(B(O)O)c1	405000229	LRRRWFDAGKTRKH-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)NC1CCCC1	405131754	GSIBNZSNISBUIN-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
COC(=O)N(C)NC(=O)C1(C(=O)N(C)C)CC1	495625853	NDSHHYXFEJGOQP-UHFFFAOYSA-N	243.263	-0.416	50	10	BBGE	
CCOc1c(C#N)cc(C)cc1B(O)O	536952859	FESGVIAKWVRKRD-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COC[C@@H](OC1CCC(OC)CC1)C(=O)NN	686250161	PDVBFVPIWLRLHV-UDNWOFFPSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC2(CC2)C1	696228482	MGIQELZCXJEGIU-ZETCQYMHSA-N	211.265	-0.185	50	10	BBGE	
C[C@@]1(CO)C[C@H](O)CN1C(=O)CCCl	698213178	KHLKHROSPBXGRW-CBAPKCEASA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](CC(N)=O)C1	700642711	VBQKHNJJURFDAT-IUCAKERBSA-N	242.323	-0.658	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@@H](F)C2)cc1	701605231	JSEKLKLMSLALCY-LLVKDONJSA-N	223.056	-0.090	50	10	BBGE	
CC[C@H](C(=O)NN)n1ccnc1[N+](=O)[O-]	702729038	JKTWJYTYOBQRAK-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCn1ccnc1	703474308	MIVHZSIHTWLUGW-RKDXNWHRSA-N	235.243	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)C2(F)F	715401234	HYRKCONFKKCXGA-HSUXUTPPSA-N	205.208	-0.438	50	10	BBGE	
CC(C)(O)[C@H]1CCN(CCCC(=O)NN)C1	721775788	DOFNKNHFDTZVMU-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CNC(=O)CC(=O)NCCCSC#N	816539476	HNTYSYQLRDGZCF-UHFFFAOYSA-N	215.278	-0.157	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	855017054	FQEADPXNDLSDCM-FNCVBFRFSA-N	240.259	-0.752	50	10	BBGE	
CC(C)(O)C(=O)NN=C1CN2CCC[C@H]1C2	863108959	VXHJHBPTBAFNIM-QMMMGPOBSA-N	225.292	-0.045	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)C(=S)NC	909991466	AUAKVSFNGPHOPM-XSIKTDMUSA-N	217.294	-0.609	50	10	BBGE	
C[C@H](C(=O)NNc1nc[nH]n1)n1ccnc1	1183625083	WDBFYIJSLXKAFG-ZCFIWIBFSA-N	221.224	-0.295	50	10	BBGE	
CCCCOCC(=O)NNC(=O)c1ncon1	1289418240	RNPPDINPBFCQJV-UHFFFAOYSA-N	242.235	-0.353	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)N[C@@H]1CC12CC2	1326212455	XEUGHXDAAIMAAG-SSDOTTSWSA-N	247.258	-0.027	50	10	BBGE	
Cc1nnc(NNC(=O)c2csnn2)n1C	1585326672	SYNOKWUHRWRJSB-UHFFFAOYSA-N	239.264	-0.268	50	10	BBGE	
CN1CCN(CC(=O)N/N=C\c2ccc[nH]2)CC1	1865762680	WJBZAOIPQDFOSD-ZROIWOOFSA-N	249.318	-0.288	50	10	BBGE	
COCC1(NC(=O)CBr)COC1	1881118687	QQTGCDWEOTUDSW-UHFFFAOYSA-N	238.081	-0.087	50	10	BBGE	
CSSCCNC(=O)[C@H](O)CCN	1882600009	AFDLNPBEAAVDCP-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
C[C@H]1C[C@H](N(C)CC(=O)NN)CS1	1882945675	IPHBEKNWDCMYAU-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@H]1CNCCS1(=O)=O	1883705361	RDZGPXKZJJZDPK-PHDIDXHHSA-N	225.697	-0.431	50	10	BBGE	
Cc1c(S)cc(C(=O)O)cc1B(O)O	1887520731	GWSCGBJTPLDVFE-UHFFFAOYSA-N	212.035	-0.338	50	10	BBGE	
C=CC(=O)NN(C)S(=O)(=O)C1CC1	1888554284	KCXDSUGYTXEGOV-UHFFFAOYSA-N	204.251	-0.372	50	10	BBGE	
O=C1C[C@H](C(=O)NC[C@H]2C[C@@H]2Cl)CN1	1893088395	LSEXMYKEZMKIKN-VQVTYTSYSA-N	216.668	-0.134	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@H]2C[C@@H]2Cl)N1	1893098480	ITQBHXBZDBISJO-PRJMDXOYSA-N	238.740	-0.105	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2CCC[C@@H]21	1893851920	JHYDLUMCKATDAX-PRJMDXOYSA-N	211.265	-0.234	50	10	BBGE	
OB(O)[C@@H]1CCN(CCc2cnccn2)C1	1902514644	YWHXBOJHUPBKHK-SECBINFHSA-N	221.069	-0.432	50	10	BBGE	
CO[C@@H]1CCN(Cc2nc(B(O)O)cs2)C1	1902639153	LYEOTIJWMQMREL-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)N2CC[C@H](B(O)O)C2)C1	1905585135	ZVMCRJPMACLWBV-IUCAKERBSA-N	237.068	-0.499	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H]1C[C@@H]2CO)C(=O)NN	1907249415	CGXCGOBZTMORPD-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@H]2CC1=O	1907912789	GNNANMNDYKNTEN-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
C[C@H](Cn1cnc2c(c1=O)CCC2)C(=O)NN	1912237661	OWKZEGUWCNGZAW-SSDOTTSWSA-N	236.275	-0.642	50	10	BBGE	
C[C@@H](CN1C[C@@H](C2CC2)CC1=O)C(=O)NN	1912272101	MPDQSBBEWVLITI-CBAPKCEASA-N	225.292	-0.129	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@@H]2CCNC2)CC1	1917111091	XYHZPSZJMXWICS-SNVBAGLBSA-N	241.316	-0.166	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@]2(CO)C[C@]2(CO)C1	1928557761	YIUDQLAPAJGWSX-SZEHBUNVSA-N	233.695	-0.183	50	10	BBGE	
CCON(CC)CC(F)(F)C(=O)NN	1928665453	HQXWBLCKIHYDJU-UHFFFAOYSA-N	211.212	-0.115	50	10	BBGE	
O=C(NNCCO)N[C@@H]1C[C@H]2CC[C@H]1C2	1929829970	DBJJNXWPPYZPAI-XHNCKOQMSA-N	213.281	-0.029	50	10	BBGE	
Cn1nnc(C(=O)NC[C@H](Cl)CF)n1	1930551317	QSVCLAIDTFKWBR-SCSAIBSYSA-N	221.623	-0.483	50	10	BBGE	
O=S(=O)(C[C@@H]1CC[C@H](F)C1)NCB(O)O	1930654991	XIVCYXYVYQZYKH-RQJHMYQMSA-N	239.077	-0.944	50	10	BBGE	
CCCn1nncc1CN(C)C(=O)NN	1934945783	YPIJVGWWWHXVPW-UHFFFAOYSA-N	212.257	-0.297	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1936093980	JFOLLMNHIUHHPL-XHNCKOQMSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@]2(CO)C1	1937055034	UPCRDIJGRMTTJW-FXPVBKGRSA-N	227.308	-0.541	50	10	BBGE	
O=C(Cn1ccnn1)N[C@H]1COC[C@@H]1CCl	1937180099	LTJJSDGWNMXMOT-YUMQZZPRSA-N	244.682	-0.352	50	10	BBGE	
O=C(N[C@@H]1COC[C@H]1CCl)[C@H]1COCCO1	1937180145	DHEVLZZPNYODOT-IWSPIJDZSA-N	249.694	-0.228	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](O)(C(C)C)C1	1937982001	QVXNKWOHYYZTCP-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
CO[C@@H]1C[C@@H](CNC(=O)C(=O)NN)C1(C)C	1939687641	WNWSSFQBGDPVOR-NKWVEPMBSA-N	229.280	-0.846	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H]2CCC[C@H]21	1941084098	WCFOVCGAWYBITG-ZDCRXTMVSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCN(C)CC2)C1	1947138483	NEBMGHUDAYIHLF-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC(C)(COC[C@H]1COCCCO1)C(=O)NN	1948418190	SGFZCVIXPYJZHI-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
C[C@@H](CN1CC2(CC[C@@H]1CO)CC2)C(=O)NN	1948553161	ARETWXYSVMKUKP-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
COC1(CN(C)[C@H](C)C(=O)NN)CCC1	1960731660	UOKCKRXFCHUKLC-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1976399289	QLQSFNKDIFMFEJ-MQIGXGKASA-N	225.292	-0.669	50	10	BBGE	
CC1(C)C[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1976993265	YZCPNRLYKZVDRF-WDSKDSINSA-N	229.041	-0.925	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2OCC[C@@H]2C1	1981241228	AUFJLYPNNAQHFF-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@@H]21	1981414390	RBISWCYEGUHGNM-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
NNC(=O)N[C@H]1CCCN([C@@H]2CCOC2)C1	1981607024	GBAJSIALTXQFIZ-DTWKUNHWSA-N	228.296	-0.587	50	10	BBGE	
CN(C1COC1)C1CN(C[C@@H](Cl)C(=O)O)C1	1981621267	QVHWRTQBMBGFAU-SECBINFHSA-N	248.710	-0.307	50	10	BBGE	
O=C1NC[C@]2(CCN(CCOCCCl)C2)N1	1983848793	WHNCZLMJTHGYNB-JTQLQIEISA-N	247.726	-0.001	50	10	BBGE	
Cc1nnc2cc(CNC(=O)NN)ccn12	1987729634	CWYFVNFWGNRGEH-UHFFFAOYSA-N	220.236	-0.289	50	10	BBGE	
C[C@@H](CO)N(C)C[C@H]1CC[C@@H](C(=O)NN)C1	1988872857	YRQSJAHJTYLXGH-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@]12C[C@H](CCO1)C2)C(=O)C(=O)NN	1990168379	UKXIAAIHWOVTNL-WKFQBHICSA-N	227.264	-0.996	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCN(C2CNC2)CC1	1991677799	BPBHVASHRXNYQN-ZJUUUORDSA-N	243.738	-0.270	50	10	BBGE	
C[C@H](SCCOC1CNC1)[C@H](C)C(=O)NN	1993411388	SFYQWFPSWMNDOK-YUMQZZPRSA-N	247.364	-0.278	50	10	BBGE	
OB(O)c1cnn(CC2C3(CC3)C23CC3)c1	1994228509	PPCKMYMLDCNCIG-UHFFFAOYSA-N	218.065	-0.247	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)NCC#CB(O)O	1995269296	XYAVOAILCWRUIG-SECBINFHSA-N	224.069	-0.414	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@]1(C)CO	2003269187	UBWWGZLRXHNUDS-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1ccoc1CN1CCO[C@H]2C[C@@H]21	2004487609	YTTDZZBSYWITIM-IUCAKERBSA-N	237.259	-0.144	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC(C)(C)C1	2004912460	TVHORNZXLUJHKG-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
Cc1cc(Sc2ncccc2B(O)O)n(C)n1	2005008014	QIJULMXGWRUTTA-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CCc1ccn(C[C@H]2CC[C@@H](C(=O)NN)O2)n1	2012149910	WMJBQVWNFYSCSM-ZJUUUORDSA-N	238.291	-0.017	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3CCO[C@H]3C2)CC1	2012775703	SZVXPBUBGIJUIU-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@H]1C[C@H]1F	2014736114	UJJWIGWPRVKCMS-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
CC(C)(C)[C@@H]1C(=O)NCCN1CCC(=O)NN	2019798241	LODDBMNKRZWFPT-VIFPVBQESA-N	242.323	-0.787	50	10	BBGE	
Cc1nccn1[C@@H](C)C(=O)NCC=CB(O)O	2020062699	UNWYRECWKJZGIM-QMMMGPOBSA-N	237.068	-0.563	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2026823783	BKQQBCIYYQPEMP-LHWRMGGRSA-N	238.287	-0.480	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N1CCCCC1	2040764372	BNNNVXBFONRHGV-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
Cc1ccc(CN2CC3(CCO3)C2)cc1B(O)O	2051856915	SSKQGQJGRGSKQP-UHFFFAOYSA-N	247.103	-0.350	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)n1	2052624159	DLWYEMVYPCAYDD-REIXXSIJSA-N	245.091	-0.691	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1Cl	2060017848	GFPBJPJRSCVVAQ-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCOc1cc(F)c(B(O)O)c([N+](=O)[O-])c1	2060125820	PWBRPSCFOVPEMH-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
C[C@@]1(C(=O)N2CCC(B(O)O)CC2)CCOC1	2208630014	WNGQVENMVDSAQH-LLVKDONJSA-N	241.096	-0.122	50	10	BBGE	
COC[C@H](OCC1(F)CC1)C(=O)NN	2209677654	KYSQIZUKFULAEK-LURJTMIESA-N	206.217	-0.490	50	10	BBGE	
COCc1nc(=N[C@@H]2COC[C@@H]2Cl)n(C)[nH]1	2211634611	WRDBZWIKFOLXLR-NKWVEPMBSA-N	246.698	-0.199	50	10	BBGE	
C[C@@H](N)CCOc1nccc(B(O)O)c1F	2212607118	GEBUIUOZUDGUOS-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(CC#N)CC1	2215510589	XPBUZPGSYQNAOM-UHFFFAOYSA-N	238.291	-0.221	50	10	BBGE	
OB(O)c1ccnc(NCCOC2CC2)c1F	2217179258	IOXWYJLTWWMLAD-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
COC[C@@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2217180813	LBQLXZIHMFBDFJ-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
C=C1COC[C@@H]1Nc1nccc(B(O)O)c1F	2217184295	RRLYIFMWDZHAES-QMMMGPOBSA-N	238.027	-0.733	50	10	BBGE	
N[C@@H]1CC[C@H](COc2cc(B(O)O)ccn2)C1	2217193865	PBHJGSPKSCGFAN-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2217198570	CSQPLEGVGQFHIF-YBSMEWOOSA-N	230.076	-0.172	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC[C@H](F)C1	2217408654	IPVSSXXDTPKADD-CBAPKCEASA-N	240.043	-0.939	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@@H]2CC[C@H]2C(=O)NN)c1	2221565198	BMCQWEAEYUWZBD-VHSXEESVSA-N	246.270	-0.264	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@@H](C)CN1C	2222178414	DNTSWWHKXYAACF-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)c(C)cn2)on1	2223643071	RDRXJYZFVOEGOL-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@]2(C)CCN2)cc1B(O)O	2223650877	RXYSBNQGLKFQBG-LBPRGKRZSA-N	249.123	-0.954	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cn(C)nn1	2223671750	AXKIQARJVHHJFJ-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCCO[C@H]32)c1	2223672275	SWCOLHRJQMXBKZ-HOSYDEDBSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCCNC[C@H]1C2	2223672683	BUICGSIYFPSKLG-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
CC(C)SCC(=O)NCC=CB(O)O	2241555389	LQKPMZUHZWDXOF-UHFFFAOYSA-N	217.099	-0.188	50	10	BBGE	
C[C@H](CF)N(C)C[C@H]1C[C@H]1C(=O)NN	2241720231	OTYOXESQTOAIDU-BWZBUEFSSA-N	203.261	-0.098	50	10	BBGE	
COC[C@@H](C)NC(=O)c1ccsc1B(O)O	2243359289	QGAJJGCNJUUJOW-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
O=C(NCC1(F)CC1)c1csnc1B(O)O	2243378624	WQHUCUYWVAYSOK-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
O=C(NC1(CO)CCCC1)[C@H]1C[C@H]1B(O)O	2243396950	SVLCGDOURZYTQL-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1ccc(B(O)O)s1	2243407197	NHYHHDNDHYKJQL-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
O=C(NCc1csc(O)n1)C1(B(O)O)CC1	2243411615	XKLJOGBDPMPLHO-UHFFFAOYSA-N	242.065	-0.528	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1occc1B(O)O	2243411752	ZNKHKDYFRWCYEY-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243413985	RCIJJWMSNNZZRM-ZETCQYMHSA-N	223.037	-0.428	50	10	BBGE	
O=C(NC1(CO)CCC1)[C@H]1C[C@H](B(O)O)C1	2243426427	IEDMGCQIWVDNGQ-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
C=C(CS(=O)(=O)NCC1[C@@H](C)[C@@H]1C)B(O)O	2243433596	NTVKGTGDFZLDEE-YUMQZZPRSA-N	247.125	-0.624	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H]1C1CC1	2247741412	ZGNXIVZGELXGLO-SECBINFHSA-N	235.048	-0.416	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1ccoc1B(O)O	2247743016	XRHOVBHITDZQEF-RDDDGLTNSA-N	235.048	-0.368	50	10	BBGE	
COCCNC(=O)c1ccc(C)cc1B(O)O	2247760673	LQYMXIHWZQTNFO-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
CCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247789850	BYDUPPCDLACDJT-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)[C@H]1C[C@@H]1B(O)O	2247809075	NLTYMXWYXJUOFE-SVSWQMSJSA-N	239.080	-0.610	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247877305	FZWQSNOQRFVXII-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@@H]2C[C@H]2B(O)O)o1	2247894074	CANYHHGGUAJFFF-HTQZYQBOSA-N	238.052	-0.229	50	10	BBGE	
Cc1nn(C)cc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247895123	OVLUNCJSULAUNN-DTWKUNHWSA-N	237.068	-0.792	50	10	BBGE	
O=C(NCc1ccncn1)[C@H]1C[C@@H](B(O)O)C1	2247895879	CEZHSUNQVNLBRK-OCAPTIKFSA-N	235.052	-0.654	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CC=CCO2)C1	2247900774	ZMFRQUJRCAOQBC-IUCAKERBSA-N	237.064	-0.593	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)NN1CCC1	2247946009	DFUHVBXBKFLDLY-UHFFFAOYSA-N	235.052	-0.891	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248647234	OGFJDKBYDVSUFZ-DKIAZLNASA-N	241.096	-0.219	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CCC(B(O)O)CC2)C1	2249358487	WKYBOGRQFZMSKO-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1cocc1B(O)O	2249420194	QMHKANAORSGAQO-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
CC(C)(CF)CNC(=O)c1cc(B(O)O)co1	2249441355	XAOCRUIGFMTREP-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
CCC1(Oc2nccc(B(O)O)c2F)COC1	2250811317	IIAALJDFMZSIIV-UHFFFAOYSA-N	241.027	-0.542	50	10	BBGE	
Nc1ccc(NC(=O)c2occc2B(O)O)cc1	2255489121	OIZMJWLDNSKBGC-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)NCCC#N	2255498060	LYQCQOVYKAAGBT-UHFFFAOYSA-N	249.079	-0.779	50	10	BBGE	
CC12CC(CN1C(=O)c1ccc(B(O)O)cn1)C2	2255524139	VYVASSZCKSSNRM-UHFFFAOYSA-N	246.075	-0.614	50	10	BBGE	
NCCc1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2255570789	JEGXMYWCPXQQLB-MNOVXSKESA-N	248.091	-0.011	50	10	BBGE	
Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2255768881	JHNIAMJIHLHVQB-GHMZBOCLSA-N	246.075	-0.026	50	10	BBGE	
O=C(NCc1ccc(CO)cc1)[C@@H]1C[C@@H]1B(O)O	2255774290	QDKKJEVSXLGPCE-MNOVXSKESA-N	249.075	-0.342	50	10	BBGE	
CN(CC1[C@@H]2CC[C@@H]12)C(=O)c1cc(B(O)O)co1	2258129957	ZPVHDKPMJCEQID-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2258142507	DRWKYVMRNPZXGP-UVMAFCGOSA-N	249.075	-0.266	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1OC[C@@H]2CCCC[C@H]12	2297984302	FCODESASLAJGAT-XHNCKOQMSA-N	241.291	-0.702	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C(=O)[C@@H]2CCCC[C@@H]21	2298376069	GNJQZCNPOKTKAK-XAVMHZPKSA-N	237.064	-0.223	50	10	BBGE	
O=C(NC[C@H]1CCCOCC1)[C@H]1C[C@H]1B(O)O	2298376215	NHWPTOQBGBKWBH-LPEHRKFASA-N	241.096	-0.218	50	10	BBGE	
Cc1nc(OC[C@@H]2CCN2C)ccc1B(O)O	2298956582	CHRKERKSVPJDEN-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@H]1C[C@H]1C(=O)NN	2300371566	NHKOXMPWOVYUJL-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C#CCCCOC(=O)N[C@@H](CB(O)O)C(=O)O	2300762240	AWMMGDOTMSTHIL-ZETCQYMHSA-N	243.024	-0.948	50	10	BBGE	
CC[C@H]1C[C@@H]1CCOc1ncc(B(O)O)cn1	2303535487	WFHMJFRKMPVKDE-IUCAKERBSA-N	236.080	-0.029	50	10	BBGE	
CC(C)[C@@H](O)CNc1cc(B(O)O)c(F)cn1	2303848372	YJEHYMXKKKROIJ-VIFPVBQESA-N	242.059	-0.671	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@@H]2CC[C@H]1O2	2312612256	LQOSILWZMJFBBT-ATZCPNFKSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1CNC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317350013	MIGFIGMQOBJRRA-PRHODGIISA-N	249.075	-0.834	50	10	BBGE	
CCC#CC(=O)Nc1ccc(OC)cc1B(O)O	2319240786	PGAUFHOMIZUPBK-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)ncc1F	2320786769	BIBPIFHWJCWKPO-SYKLHRBASA-N	248.066	-0.033	50	10	BBGE	
Cc1cn([C@@H]2C=C(C#N)[C@H](CO)O2)c(=O)[nH]c1=O	32090482	CTKYKXZRHGLZHV-IUCAKERBSA-N	249.226	-0.815	50	10	BBGE	
CCNC(=O)CN(C)C(=O)NC(=O)CCCl	49724963	JZEQPUJNSVHQAK-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
Cc1ccn(CCCC(=O)NN)c(=O)c1	82471727	XRDBHIDJEUHFAO-UHFFFAOYSA-N	209.249	-0.073	50	10	BBGE	
CN1C(=O)CC[C@@H](NC(=O)CCl)C1=O	84406434	GDVICFJTQNOKPQ-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ccc(=O)cc2)O1	110601620	QJVJCJMYEBBTAW-VHSXEESVSA-N	237.259	-0.614	50	10	BBGE	
Cc1cc(C(=O)NN)c2cnn(C)c2n1	121176670	IFSMNCQLBZKCTI-UHFFFAOYSA-N	205.221	-0.120	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)C(F)(F)F	185987134	ZFCNJEWQZKEKQN-BYPYZUCNSA-N	223.154	-0.099	50	10	BBGE	
N[C@@H](CO)[C@H](O)CI	196475517	SCOHCDDDVPSGMT-IUYQGCFVSA-N	231.033	-0.898	50	10	BBGE	
C[C@@H](CN1CCCCC[C@H]1CO)C(=O)NN	253185383	XBBRQHAWFPATRZ-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC1=C(C=O)CN2C(O)=NC(O)=C(N)C2=N1	257586861	LKFOIKNHOIFTFS-UHFFFAOYSA-N	222.204	-0.213	50	10	BBGE	
CN1CC[C@H](COCC(=O)N(C)N)C1	258955898	FWPMKADJQUTIFO-QMMMGPOBSA-N	201.270	-0.713	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H]3C[C@H]3C2)n1	380325561	KHRWZTJGXQTIMC-BQBZGAKWSA-N	222.248	-0.270	50	10	BBGE	
CC(C)[C@@H](N)C(=O)NNC(=O)[C@H]1C[C@@H]1C	381433420	XIJGQNJAUVEHJT-BIIVOSGPSA-N	213.281	-0.227	50	10	BBGE	
C[C@H](N(C)[C@H](C)C(=O)NN)C(C)(C)O	382977353	SIURMDLRFBTOAF-RQJHMYQMSA-N	203.286	-0.544	50	10	BBGE	
CC(C)(CCN1CCC[C@@H](N)C1)C(=O)NN	395591262	KRGILRZLVJCASX-SECBINFHSA-N	228.340	-0.184	50	10	BBGE	
NNc1ccc(B(O)O)cc1OC(F)F	396093320	BYEWNDQPPNJGRH-UHFFFAOYSA-N	217.968	-0.747	50	10	BBGE	
Br[C@@H]1CN[C@H]2NCC[C@H]2N1	585663416	QOHZCGQMMGTCBR-NGJCXOISSA-N	206.087	-0.412	50	10	BBGE	
NNC(=O)Cn1nc2ccc(C(=O)O)cc2n1	585966280	ZMYFXZVNYBUTTP-UHFFFAOYSA-N	235.203	-0.881	50	10	BBGE	
C[C@@H]1CCCN(CCC(=O)NN)[C@@H]1CO	688736797	LGLDFXVYXIJIPQ-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CN(CCc1nccs1)CC(=O)NN	688777569	MHKNLXRJEKWVMY-UHFFFAOYSA-N	214.294	-0.393	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCC[C@H]1O	689846777	WBMJESXSKOUZSK-OPRDCNLKSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H](CCCl)NC(=O)c1nnn(C)n1	697203064	BVKWXXDLKPNYBL-YFKPBYRVSA-N	217.660	-0.043	50	10	BBGE	
Cc1nccn1CCCn1ccc(B(O)O)n1	699958407	DCEAXVZFJVEQNW-UHFFFAOYSA-N	234.068	-0.842	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H](C)[C@@H](O)CO	705159988	LMIPGLAIRIYHLK-QYNIQEEDSA-N	209.673	-0.281	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)NC(=O)CCl	707498787	YZJQAJNWZLWUBD-UHFFFAOYSA-N	246.658	-0.883	50	10	BBGE	
CN([C@H]1COC[C@@H]1Cl)S(C)(=O)=O	709089392	VXAYLMBWVIPNDZ-WDSKDSINSA-N	213.686	-0.116	50	10	BBGE	
CN([C@H]1COC[C@@H]1O)S(=O)(=O)CCCl	709319071	LQWXOAAAZGXVCU-BQBZGAKWSA-N	243.712	-0.754	50	10	BBGE	
CCN(C1CCOCC1)[C@@H](COC)C(=O)NN	716488848	XOACEAYQAXNJJF-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
CCC1(C(=O)O)CN(C(=O)NN(C)C)C1	722829923	HWZMOOAJSTXQMR-UHFFFAOYSA-N	215.253	-0.031	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)[C@H]1COCCO1	843559839	VUJVQOWJHOZIPJ-ZCFIWIBFSA-N	232.211	-0.949	50	10	BBGE	
CC1(C(=O)NNC(=O)CO)C[C@H]2C[C@@H]2C1	857171224	WABNVYPMKDNXPS-RNFRBKRXSA-N	212.249	-0.438	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1	911441312	XTJUMCUZUUTLNW-DTWKUNHWSA-N	243.307	-0.767	50	10	BBGE	
O=S(=O)(CCCl)NC1[C@H]2COC[C@H]12	1253567382	RJELTVBROFIVCY-WDSKDSINSA-N	225.697	-0.211	50	10	BBGE	
CCONC(=O)NNC(=O)N=c1cc[nH]cc1	1312530771	AAMVIOYPTHNBSA-UHFFFAOYSA-N	239.235	-0.209	50	10	BBGE	
C#Cc1ccc(NC(=O)NNC(=O)CO)cc1	1563368056	BNKVUGPKGOFWTO-UHFFFAOYSA-N	233.227	-0.187	50	10	BBGE	
O=C(NNC(=O)c1nccs1)c1cn[nH]c1	1588291085	RNQWOSNMWJTDCC-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
O=C(O)CN(CC(=O)O)C(=O)CCCl	1866337193	NXVJKHZAIRRQJT-UHFFFAOYSA-N	223.612	-0.387	50	10	BBGE	
Cn1nnc(=NC(=O)[C@@H]2C[C@H]2Br)[nH]1	1877415262	WOQZLUGMFSNMPO-QWWZWVQMSA-N	246.068	-0.646	50	10	BBGE	
CN(CC(N)=O)C(=O)[C@H]1C[C@H]1Br	1881363728	AIZLQCGVDSPNGS-CRCLSJGQSA-N	235.081	-0.287	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@H](O)C1	1882908095	VFGXRGXXGSRJMO-GJMOJQLCSA-N	209.673	-0.986	50	10	BBGE	
O=C(O)[C@@H](CO)NC(=O)[C@H]1C[C@H]1Cl	1883634400	JTCWAXVWZOFQJO-VPENINKCSA-N	207.613	-0.825	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CO[C@@H]1CCOC1	1886079773	SYRIVRZBDANTAD-RNJXMRFFSA-N	200.238	-0.582	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC1(F)F	1892925038	SFEMTRMOCSLMTQ-RXMQYKEDSA-N	204.969	-0.674	50	10	BBGE	
CCOCCC(=O)NCC=CB(O)O	1892925946	XVQCKXPOMBQXHK-UHFFFAOYSA-N	201.031	-0.903	50	10	BBGE	
CN(CCN)CC(=O)NC[C@@H]1C[C@H]1Cl	1893108408	SEDJSFIPSSRRLG-JGVFFNPUSA-N	219.716	-0.380	50	10	BBGE	
CN(CC1CNC1)C(=O)C=CC(=O)Cl	1893404258	DCDBENJAQACIOO-UHFFFAOYSA-N	216.668	-0.014	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1Cl)C1(O)CNC1	1893460443	FSCQGKYYAPEQIA-LYFYHCNISA-N	218.684	-0.547	50	10	BBGE	
NOCCS(=O)(=O)NCC1CC(Cl)C1	1893513784	ONBYBDPCQPXTLA-UHFFFAOYSA-N	242.728	-0.187	50	10	BBGE	
CC[C@]12C[C@H]1CN([C@@H](COC)C(=O)NN)C2	1894910024	LXRFGNBLUFLJBD-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2C[C@]1(CO)C2	1900068316	LTWZHQATOAJCCT-ATZCPNFKSA-N	227.308	-0.398	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](C)NC1CC1	1901339986	WZHXSLDMMJTSHG-SSDOTTSWSA-N	249.336	-0.560	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CCC2)CCNC1	1904221217	YZKDJKHYAMWZTL-SECBINFHSA-N	226.085	-0.748	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@H]2Cl)[C@@H]1C1CNC1	1904678431	AWVGRNAQEXXKKO-FXBDTBDDSA-N	243.738	-0.367	50	10	BBGE	
CC[S@](C)(=O)=NC[C@H]1C[C@@H]1C(=O)NN	1913890816	WXEYYFZPACBNDS-DHDZUQTRSA-N	219.310	-0.270	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)N1CC[C@@H](O)C1	1914178257	ZFWNSKXMRRDPQZ-NKWVEPMBSA-N	242.728	-0.485	50	10	BBGE	
CC1(C)C[C@@H]1CCn1ccc(B(O)O)n1	1921433821	PVHPOKZPQVQOKD-QMMMGPOBSA-N	208.070	-0.001	50	10	BBGE	
CCC1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1927917435	KTECBPIPAMXIOL-JGVFFNPUSA-N	213.281	-0.931	50	10	BBGE	
COC(=O)[C@H](Cl)CN[C@@H]1COC[C@H]1OC	1928965089	ITGDMVXYPJZVSQ-BWZBUEFSSA-N	237.683	-0.230	50	10	BBGE	
CC[C@]1(C(=O)NNC(N)=S)CCCO1	1929050440	QZDGWQNLQKQVFU-MRVPVSSYSA-N	217.294	-0.190	50	10	BBGE	
O=S(=O)(C[C@H]1CC[C@H](F)C1)NCB(O)O	1930654988	XIVCYXYVYQZYKH-BQBZGAKWSA-N	239.077	-0.944	50	10	BBGE	
CC[C@H](COC)O[C@@H](COC)C(=O)NN	1931008429	SIHRIUACAVBMSF-SFYZADRCSA-N	220.269	-0.567	50	10	BBGE	
O=S(=O)(CCl)N1CCOC[C@H](CO)C1	1933629882	HULYEMQKAQWMTQ-ZETCQYMHSA-N	243.712	-0.547	50	10	BBGE	
CCC(=O)N(C)Cc1ccc(B(O)O)s1	1935213936	JWVOKRKLSQRASX-UHFFFAOYSA-N	227.094	-0.204	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CC(F)(F)C(=O)NN	1935928963	MPKODUISYMFKEF-NKWVEPMBSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1936093963	JATHIVKCHJUCML-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)S1(=O)=O	1937870391	QEIPMYLWPARFGP-PRJMDXOYSA-N	247.320	-0.964	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](N1CC(=O)OC(=O)C1)C2	1939197660	MNFCLIFIFDJAQU-ONOSFVFSSA-N	225.244	-0.061	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@@H]3C2=O)CC1	1940087777	MJKXMBASFDSFLT-YUMQZZPRSA-N	223.276	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C2CCC1(CO)CC2	1941088352	PSPZXYVUGDHZCV-DKZWSVDFSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCCO)C1CCC1	1941090405	ZOHPHNHDAVDMCU-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1CCOCC(=O)NN	1944569754	NIPROKOAHVCQQO-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
CC(C)(CCN1CC(OCCO)C1)C(=O)NN	1946921005	KOAPVGZPHMQQEJ-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
NCCn1cc(C(=O)CBr)nn1	1953445465	DAPGOEZQKXCGOP-UHFFFAOYSA-N	233.069	-0.186	50	10	BBGE	
CN(CCn1cncn1)S(=O)(=O)CCl	1956753554	DTKNYXHCZQMRFY-UHFFFAOYSA-N	238.700	-0.264	50	10	BBGE	
C#C[C@@H](CCl)N=c1ccc2nnnn2[nH]1	1974775552	ZPWAXLVXFGBKIJ-LURJTMIESA-N	222.639	-0.406	50	10	BBGE	
NC[C@]1(O)C[C@H](C(=O)NC2CC(Cl)C2)C1	1975283702	CRLMMQAALUFWJJ-UWKVVHQPSA-N	232.711	-0.028	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@H]2O)C1	1978185465	TWXFRNBOQFQVJW-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cncc(O[C@@H]2C[C@@H]3C[C@@H]3C2)c1	1978375733	TXFGIFQQFZUWCQ-MBTKJCJQSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H](CC(=O)NN)N=[S@](C)(=O)N1CCCC1	1979783669	AIKZBTDZODCGQO-PWJLMRLQSA-N	248.352	-0.137	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3C[C@H]32)nc1	1981413083	BBNKHGZQDJCBSE-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
Cc1ncnc(OC2CC=CC2)c1B(O)O	1981420929	SGSTVMFENAUABE-UHFFFAOYSA-N	220.037	-0.438	50	10	BBGE	
CC(F)(F)C1CN(c2nc(B(O)O)cs2)C1	1981469209	OOMIECMXGARGMX-UHFFFAOYSA-N	248.063	-0.086	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2cc(B(O)O)cn2)OC1	1981584036	VBPJWSJIZKRWKM-PSASIEDQSA-N	224.069	-0.622	50	10	BBGE	
C[C@H](CN1CC(N(C)C2CC2)C1)C(=O)NN	1981585240	OUBBGJAXRWJTIQ-MRVPVSSYSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](CCCl)C(=O)N1CCOC[C@@H]1C(N)=O	1985790575	QRSJNTREFHGPED-HTQZYQBOSA-N	248.710	-0.036	50	10	BBGE	
C[C@@H](O[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	1986221011	HYHSEZQUZATBQL-BWZBUEFSSA-N	225.252	-0.623	50	10	BBGE	
C[C@@H](CN1CC(C)(C[S@@](C)=O)C1)C(=O)NN	1987036771	HJOPPDGFEYTJBR-ZKANADHPSA-N	247.364	-0.687	50	10	BBGE	
CCN1[C@@H](C)CN([C@@H](C)C(=O)NN)C[C@H]1C	1987310941	XRKSYKHHECUJRP-AEJSXWLSSA-N	228.340	-0.221	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1987530920	JLEXIPOCWNALLK-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1CCOC1	1988006150	WEBCIAOWCKSSCZ-ZETCQYMHSA-N	227.000	-0.932	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]1C(C)(C)O	1989117169	IAJKXMBHYOBVIZ-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CN1CCC[C@H](O)C1(C)C)C(=O)NN	1991458997	DBHZQBUSARUFAD-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](CO)[C@@H](CO)C1	1991713328	RLWPJRARSZBESC-SRLPBZNGSA-N	247.678	-0.633	50	10	BBGE	
O=C(NC1CCC1)c1ccccc1B(O)O	1992836266	LJKWGTAXFNPQJG-UHFFFAOYSA-N	219.049	-0.351	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1CC1CC(Cl)C1	1993227632	POAXODSGIBFUCZ-VHHQKCPSSA-N	249.694	-0.506	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41	1995621242	RIXIHRAGQLSAOI-HCCVTHAOSA-N	221.304	-0.193	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@@]1(C)COC	2002851871	ZTSPGMCHAOLHFU-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)CCCO1	2004936190	WEKUUWVOHJZLJV-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(N2C[C@@H](F)C[C@H]2C)ncc1B(O)O	2004977297	YVZGNNSMLIYKSN-SVRRBLITSA-N	239.059	-0.598	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005992659	VQKRGXYTSYAMSH-LXUNUROVSA-N	239.319	-0.827	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@H]1OCC[C@H]1F	2009201485	GKLPFFMHGFYCRX-AXTSPUMRSA-N	245.298	-0.329	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCOC[C@@H]1F	2013730278	MHCRJTMHLNCBTK-DTWKUNHWSA-N	245.298	-0.185	50	10	BBGE	
COC[C@H](C)CCOc1ccc(B(O)O)cn1	2014226926	VDWVHOWTWBZKLH-SECBINFHSA-N	239.080	-0.187	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1CC12CCC2	2015510905	ZJCQBSZDCJPVRT-SECBINFHSA-N	233.076	-0.282	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@]12CCC[C@@H]1C2	2016419889	UHYKYGWTDJXXJO-BXKDBHETSA-N	233.076	-0.282	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C(C(F)F)[C@@H]2C1	2017285851	KWZAVTXHVDSGAM-RNFRBKRXSA-N	249.261	-0.564	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12CO[C@](CF)(C1)C2	2023947208	BQPJUPRZBUOVPO-IEBDPFPHSA-N	245.298	-0.185	50	10	BBGE	
CN(CCn1cccn1)c1ccncc1B(O)O	2052508415	YMKZQCMRHWELAO-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
Cc1nc(N(C)C[C@H]2CC23CC3)ncc1B(O)O	2052554901	BFRZXAICAPTVBE-SECBINFHSA-N	247.107	-0.299	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@@]3(C)C2)n1	2052624109	PKJONVKZSGXNSD-SKDRFNHKSA-N	247.107	-0.381	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H](C)C2CC2)n1	2052627899	RZGODZGXGYBFPU-QMMMGPOBSA-N	249.123	-0.053	50	10	BBGE	
CC1CC(Cn2cnc3c(B(O)O)ncnc32)C1	2055738352	WFORUVAFRWORLE-UHFFFAOYSA-N	246.079	-0.448	50	10	BBGE	
CCc1cc(C=O)cc(OC)c1B(O)O	2060164091	BZROBBGBODMFTE-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1cc(B(O)O)cc(C=O)c1C#N	2060185092	IGIDYFZKSPCORT-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COc1ccc(C#N)c(B(O)O)c1C=O	2060189573	KPLFTUQYCHUMIW-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1C=O	2060272388	WYTPYJMPTNYICV-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
Cc1ccc(B(O)O)c([N+](=O)[O-])c1C#N	2060308245	YSZJNZWESGOUHS-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1COC2CC1C2	2063124043	DPRYZUXOSWDZGB-RFBVYIQQSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CCO[C@H]2C1	2065201592	FTZPZCHQTDNVRG-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2068328113	YCXDTUPRXLELIG-YNCDLQQUSA-N	248.066	-0.255	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@@H](O)CN1CCCCl	2209482419	YTQIZHHYTKBXCD-VGMNWLOBSA-N	223.700	-0.332	50	10	BBGE	
C[C@@H](O)C1(Nc2ccc(B(O)O)cn2)CC1	2212602084	YJUJIWXPZYIORD-SSDOTTSWSA-N	222.053	-0.913	50	10	BBGE	
CC[C@H](CN)COc1ncccc1B(O)O	2212605306	BMCYLYFWDFYJEX-MRVPVSSYSA-N	224.069	-0.875	50	10	BBGE	
C#CCCCOc1nccc(B(O)O)c1F	2212614564	WOYHKFVSNMROHR-UHFFFAOYSA-N	223.012	-0.307	50	10	BBGE	
CN(Cc1ncon1)C[C@@H]1CC[C@@H]1C(=O)NN	2215774270	CZAQZJDJQPOWSL-YUMQZZPRSA-N	239.279	-0.483	50	10	BBGE	
Cc1ccnn(C[C@H]2CC[C@@H]2C(=O)NN)c1=O	2215777748	UZGPRQUEULDVSW-BDAKNGLRSA-N	236.275	-0.432	50	10	BBGE	
C[C@]1(CNc2ncc(B(O)O)cn2)CCCO1	2217175905	PABXGBMZQFWRGQ-SNVBAGLBSA-N	237.068	-0.863	50	10	BBGE	
CO[C@@H]1C=C[C@H](Nc2ncccc2B(O)O)C1	2217175916	PCVQXHAZIRLNSJ-DTWKUNHWSA-N	234.064	-0.483	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1CCCOC1	2217181024	XBTLCMJLPILMGZ-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(N2CCC[C@H](O)C2)cc1B(O)O	2217181885	WPHLMTGTEZXQMQ-VIFPVBQESA-N	236.080	-0.969	50	10	BBGE	
CCC[C@@](C)(O)CNc1ccc(B(O)O)cn1	2217195849	AKQKUZYWFSCGIS-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
CNCC[C@H](C)N(C)c1ncccc1B(O)O	2217196556	SLOBVCPEROQQLA-VIFPVBQESA-N	237.112	-0.804	50	10	BBGE	
CC[C@H]1C[C@H](Nc2ncc(B(O)O)cn2)CO1	2217197519	NGYXLMFYALCPMA-IUCAKERBSA-N	237.068	-0.864	50	10	BBGE	
CC[C@@H]1CNCCN1Cc1cccc(B(O)O)c1	2220074705	WTRPZSBTZSWDOT-CYBMUJFWSA-N	248.135	-0.450	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN3CCC[C@@H]23)nc1	2223637782	HBKAGLWWAAGUPB-QWRGUYRKSA-N	247.107	-0.590	50	10	BBGE	
Cc1cnc(NCC2[C@H]3COC[C@H]23)cc1B(O)O	2223640082	JAEBKNVHUCJKRB-NXEZZACHSA-N	248.091	-0.626	50	10	BBGE	
CO[C@@H]1C=C[C@@H](Nc2cc(B(O)O)c(C)cn2)C1	2223649753	CPYGIMAQNWQIBC-NXEZZACHSA-N	248.091	-0.175	50	10	BBGE	
N[C@H]1CC[C@@H](CCN=c2ccc(B(O)O)c[nH]2)C1	2223669078	FTBGVKSIYUBAKE-ONGXEEELSA-N	249.123	-0.887	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccnn1C	2223670696	BMAZAKWBPBUASH-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1c1cc(B(O)O)ccn1	2223675781	UCBUAXIIGYQHIS-GXSJLCMTSA-N	249.123	-0.710	50	10	BBGE	
CN(CCF)C(=O)[C@H]1C[C@@H](B(O)O)C1	2241475062	PTXDGNDDNCGEGA-KNVOCYPGSA-N	203.022	-0.333	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)C1(B(O)O)CC1	2241482044	ZUQFFPHYBISLKG-RITPCOANSA-N	217.461	-0.263	50	10	BBGE	
CO[C@@H](C)CCNC(=O)C1(B(O)O)CCC1	2243348572	ZPGRKVMTOZUPFP-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
C#CCCCNC(=O)c1ccoc1B(O)O	2243349770	QEWGGDXPLZENQM-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1coc(B(O)O)c1	2243399149	XQCAIIZZHOLXNK-SVRRBLITSA-N	223.037	-0.512	50	10	BBGE	
Cn1cc(NC(=O)C2(B(O)O)CCC2)nn1	2243409961	SAYZJDNWNXMJPI-UHFFFAOYSA-N	224.029	-0.849	50	10	BBGE	
C=C(CS(=O)(=O)Nc1n[nH]cc1C)B(O)O	2243412101	GMIKTKFOXLEUAX-UHFFFAOYSA-N	245.069	-0.972	50	10	BBGE	
C=CCN(CCO)C(=O)C1CC(B(O)O)C1	2243414263	XCLXCAPPPFJYMR-UHFFFAOYSA-N	227.069	-0.754	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H]1C[C@H]1CC)B(O)O	2243432771	DHIGKJLWIGVKTG-RKDXNWHRSA-N	247.125	-0.480	50	10	BBGE	
OB(O)c1ccc(O[C@H]2C=CCOC2)nc1	2244126950	JIOAINPSVBOGCP-VIFPVBQESA-N	221.021	-0.905	50	10	BBGE	
CC[C@H](CNC(=O)c1coc(B(O)O)c1)OC	2247732880	KHYWEXQTDBKARP-MRVPVSSYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)c1ccccn1	2247737370	FOMOYIWHTKWMJG-VIFPVBQESA-N	232.048	-0.683	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccoc2B(O)O)C[C@@H]1F	2247738203	OEMUIJLQOIXYQL-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@H]1NC(=O)C#CB(O)O	2247742579	QQJDUVHBOHMKHF-OPRDCNLKSA-N	239.080	-0.678	50	10	BBGE	
CC[C@H]1CC[C@H](CN(C)C(=O)C#CB(O)O)O1	2247746773	DGTAOENYBAOROB-VHSXEESVSA-N	239.080	-0.582	50	10	BBGE	
O=C(N[C@@H]1CC12CCNCC2)C1(B(O)O)CC1	2247750335	HVQMGKWATFHTCH-MRVPVSSYSA-N	238.096	-0.748	50	10	BBGE	
CC(C)=CCNC(=O)c1ccc(B(O)O)cn1	2247771482	WBUCYVMQMFWJEQ-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)C1(C)CCC1	2247780372	AWHFUFYPQYFOBL-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
O=C(NCC1(O)CCCC1)[C@H]1C[C@@H](B(O)O)C1	2247787268	MTPLYACMWVSTMY-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCn2ccnc2C1	2247803439	BBOSGODBXXLVLG-SFYZADRCSA-N	235.052	-0.912	50	10	BBGE	
CN1CC[C@@](C)(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247806943	GWHDIEPFSXSLRW-FXPVBKGRSA-N	240.112	-0.550	50	10	BBGE	
CCCCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1COC1	2247807660	RMCFDTARMNGHGL-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCCC[C@@H]2C1=O	2247847669	ABAOVESTVWGPSA-IUCAKERBSA-N	235.048	-0.823	50	10	BBGE	
CC[C@H]1CN(C(=O)C#CB(O)O)C[C@H](CC)O1	2247848763	QASHWOVXEYNFGK-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)cn1C	2247874868	QHTDDPAZUWUEJT-CPCISQLKSA-N	236.080	-0.767	50	10	BBGE	
O=C(NC[C@H]1CCCOC1)C1(B(O)O)CCC1	2247877558	IIMUSHBLZBWAQP-SECBINFHSA-N	241.096	-0.074	50	10	BBGE	
CC[C@H](CCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895678	UXRBMSKLXOPCFM-BBBLOLIVSA-N	243.112	-0.236	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCCNC1	2247899881	QZDUNZKTXJEPCC-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)C1(B(O)O)CCC1	2248576366	FZTRITYASKVIBI-RNFRBKRXSA-N	241.052	-0.543	50	10	BBGE	
O=C(O)c1cnc(NC(=O)[C@H]2C[C@H]2B(O)O)o1	2248592804	GOUKUXSHVHUACP-IUYQGCFVSA-N	239.980	-0.826	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@@H](C)CF)n1	2249305881	SJLWPQCSLLQGIO-LURJTMIESA-N	241.075	-0.433	50	10	BBGE	
CCC1(CNC(=O)c2cc(B(O)O)co2)CC1	2249420159	QDNIXIKTCLFRFE-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(B(O)O)co1	2249420317	SCHNTEJNPYXNSK-DTWKUNHWSA-N	235.048	-0.512	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)c(C)s2)CC1	2249995561	UIXBDFNFQSZJLB-UHFFFAOYSA-N	249.100	-0.368	50	10	BBGE	
C[C@@H](O)CN(CC(C)(C)C)C(=O)C#CB(O)O	2250591630	BIHGSGMLGUSCEB-SECBINFHSA-N	241.096	-0.743	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccoc1B(O)O	2255461899	NXWMJPOCMPIFLM-SVFDORGDSA-N	247.059	-0.656	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@@H]2CC[C@@H]21	2255551551	ZFOMAEYVYHDJBU-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCc2nc[nH]c2C1	2255571967	UJQBHEGADHLDDE-ZKCHVHJHSA-N	249.079	-0.453	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc([N+](=O)[O-])cc1	2255670091	VNSUQZSCMFTGNX-UHFFFAOYSA-N	248.003	-0.427	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cocc1B(O)O	2258138642	MOEDSASEZXCHBP-SOCHQFKDSA-N	249.075	-0.122	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2C[C@@H]2C1=O	2298165937	GYODUECDYUGSGK-QEYWKRMJSA-N	237.303	-0.129	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369784	FMBDJNFYTYPVSP-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
Cc1nn(CCC[C@H]2C[C@H]2C(=O)NN)c(=O)o1	2300369291	HQAAWUHOGWNOML-JGVFFNPUSA-N	240.263	-0.449	50	10	BBGE	
OB(O)c1cc(F)c(F)c(O[C@@H]2CCOC2)c1	2300478783	RZKXQBPHBPWTNC-SSDOTTSWSA-N	244.002	-0.188	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCN1CCOC[C@H]1C	2300927966	ZZAGEEWEKSAJKM-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CN(CC(F)F)c1ccc(B(O)O)cc1C#N	2301340293	CIIQRFHPEHOZKT-UHFFFAOYSA-N	240.018	-0.061	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	2301425921	FLJCVERDEDCYMK-SFYZADRCSA-N	242.254	-0.929	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N(CCF)CCF	2301726938	DDJBNPQCTTWUGI-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303835636	ZSXQYFMEWRKDAZ-DTWKUNHWSA-N	240.043	-0.510	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@@H]3C[C@H]2CN3)cc1B(O)O	2312612323	QLKKVNIJPYGXAT-NGZCFLSTSA-N	247.107	-0.910	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]c1	2312614090	VUERXXOIKXLOBO-AEJSXWLSSA-N	245.091	-0.798	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2ccc(B(O)O)o2)CC1(C)C	2314526572	WDJJBEWLKKXOFT-VIFPVBQESA-N	247.059	-0.557	50	10	BBGE	
C#CCOCCOc1ccc(B(O)O)cc1C#N	2317150813	JTCMAVBXXDMFCA-UHFFFAOYSA-N	245.043	-0.733	50	10	BBGE	
CCN(CCC#N)c1ccc(B(O)O)cc1C#N	2317163742	RLEGZEBZANCTMR-UHFFFAOYSA-N	243.075	-0.022	50	10	BBGE	
NC(=O)[C@H]1CCCN(C(=O)NC(=O)CCl)C1	36905931	URPHBEYVDDMELC-LURJTMIESA-N	247.682	-0.341	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccc(F)cc1	49503149	XCSFUUIAIVFZKF-LURJTMIESA-N	225.223	-0.007	50	10	BBGE	
CCNC(=O)COc1ccccc1C(=O)NN	66056674	GOMPBJMXYSBXIP-UHFFFAOYSA-N	237.259	-0.195	50	10	BBGE	
NNC(=O)c1nc(C(=O)O)c(C(F)(F)F)o1	75851277	MYHQIYBULYQXCX-UHFFFAOYSA-N	239.109	-0.005	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC(C)(C)O1	82470073	JQTSQKQRHPOMEF-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
O=S(=O)(CCl)NCc1ncn[nH]1	82512900	LTTSZJMMQJXVJZ-UHFFFAOYSA-N	210.646	-0.580	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CC#N)CC#N	84689269	JQSIJCYCYYBHDY-QMMMGPOBSA-N	209.253	-0.506	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2CCCN2C[C@H]1C	86933485	BUQWBZOYHIHLQS-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCO[C@H](CO)C1	88091690	TXWYNWZUMPLAIE-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
COC(=O)CCCS(=O)(=O)N=C=O	157727858	RBATVQVGZUMYCL-UHFFFAOYSA-N	207.207	-0.395	50	10	BBGE	
Cc1ccn(Cc2ccccc2B(O)O)c(=O)c1	203074748	RBXLFIXJMUGLLO-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
CN1CCC(=O)N(CCCCC(=O)NN)C1=O	211384395	HVRKYYWNPACMTI-UHFFFAOYSA-N	242.279	-0.569	50	10	BBGE	
COC(=O)/C(C#N)=C1\CC[C@@H](C(=O)O)N1	216181457	RSMFGTDOIQUYMZ-XPPMVYLVSA-N	210.189	-0.226	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)C1CCC1	228568950	MALJEGWTVSKEJC-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CNS(=O)(=O)CCl)[S@@](C)=O	229764236	ZYJFEOCUMNPZRE-BLTYZCFWSA-N	233.742	-0.131	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC(C)C	232420054	FDXVAIYXQLCVPZ-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H](C)C(N)=O	235071229	ZGANFLBQALQWRV-QWWZWVQMSA-N	223.070	-0.240	50	10	BBGE	
Cn1nnc(CNCCBr)n1	236151334	DWJQJGAMIIFCFH-UHFFFAOYSA-N	220.074	-0.305	50	10	BBGE	
NC(=O)NNC(=O)c1cc(O)ccc1O	236183126	GDXRFRVMDZPLKF-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
O=C(CCl)N/N=C1/NC(=O)CS1	306314814	WQYVOKCYTJPHLN-UHFFFAOYSA-N	207.642	-0.525	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2O[C@@H]3[C@H](OC(=O)[C@H]31)[C@H]2Cl	306585097	SIIMPOCAYCQRBK-VLFADPLGSA-N	218.592	-0.383	50	10	BBGE	
CNC(=O)[C@H]1CCN(C(=O)CCl)C1	307482792	ZHTQBQWQGJGACE-LURJTMIESA-N	204.657	-0.180	50	10	BBGE	
NNC(=O)c1nc(CN2CCC2)cs1	307579914	QNGGSUPEWGMKQZ-UHFFFAOYSA-N	212.278	-0.048	50	10	BBGE	
COC[C@H](C)NC(=O)NNC(N)=S	308446196	BIMCRHZDVJKEAZ-BYPYZUCNSA-N	206.271	-0.931	50	10	BBGE	
CC[C@](COC)(NC(=O)NN(C)C)C(=O)O	328555166	YNTHNFWWHHQNKQ-SECBINFHSA-N	233.268	-0.358	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](N(C)C)[C@H]1C	381934302	TXVUQZXCSFDICB-OPRDCNLKSA-N	228.340	-0.221	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCOC(C)(C)C1	383920183	ZMKKZBVOZIOZDC-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCNCC1	395591805	LQUFYSIBBAPBTP-QMMMGPOBSA-N	214.313	-0.704	50	10	BBGE	
NNc1cc(B(O)O)ccc1C(F)(F)F	396081747	BDHTYEFOVINZBT-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
N#Cc1csc2c(CO)ccc(B(O)O)c12	396223930	ONMXILFSRNOSAI-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=Cc1sc2c(B(O)O)cccc2c1CO	396343693	WHFJQFZJQDCGMR-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@@H](C)CCC(=O)NN)C1	401535715	KHNOIRCBSFIMPP-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCCO)C1CC1	404237729	ARYFLXGHXSVTHJ-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1cc(B(O)O)cs1	405001231	LWFSWNDKQUGKCO-RCOVLWMOSA-N	239.105	-0.300	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(B(O)O)c(C)c1	405014766	BKOVVPKGZLXKON-MRVPVSSYSA-N	237.064	-0.352	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H](O)C1CCOCC1	495692098	GAQFLJBIOCVMSE-QMMMGPOBSA-N	246.263	-0.497	50	10	BBGE	
NNC(=O)C[S@](=O)Cc1ccccc1	526848861	OYVOTZHSZXHVDR-CQSZACIVSA-N	212.274	-0.075	50	10	BBGE	
O=C(CCl)NC(=O)N1CC2(COC2)C1	606285295	RJBVXTOJGPSNON-UHFFFAOYSA-N	218.640	-0.206	50	10	BBGE	
CN1N=C=C(C(=O)NN)[C-]1Br	642835098	UAWQILWAFVXXSU-UHFFFAOYSA-N	218.034	-0.683	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)CC[C@@H]1C	687214287	ZHPPZRIXPPKXLN-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CO)CN(C)[C@@H](C)CCC(=O)NN	688396393	XUXOIAYEVVGCOM-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]2COC[C@H]21	700617958	AMNYWEAJDGCTQS-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
NC(=S)NNC(=O)CCN1CCCC1	700858676	QSLPEEVBAZBABP-UHFFFAOYSA-N	216.310	-0.663	50	10	BBGE	
CCO[C@@H]1CCN([C@H](C)C(=O)NN)C1	701693084	NFTGCQJGVSENKA-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1CC12CC2	705173825	KVHNBDYHDADURB-SSDOTTSWSA-N	232.048	-0.500	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cnc[nH]1	709748267	MZUMJJVAYIPHCU-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
COCC(=O)N1CCCc2cccc(B(O)O)c21	712218569	PBGWVUGNJLTXNY-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CCN(C)C(=O)N1CCc2ccc(B(O)O)cc21	712960885	XZZRHHLHRQKQJL-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H]3C2=O)o1	715696603	AJQFJYZNYXSZGR-POYBYMJQSA-N	235.243	-0.139	50	10	BBGE	
CSCC1CCN(C(=O)C(=O)NN)CC1	719307622	VIZFRDDKJVXAEH-UHFFFAOYSA-N	231.321	-0.422	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCS[C@H](CO)C1	720069168	NPISYNMGYGOWTA-IUCAKERBSA-N	247.364	-0.589	50	10	BBGE	
NNC(=O)CCCN1CCN2CCC1CC2	722805706	BGMOUGSXVOLZPB-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\[C@@H]1CCCO1	819154268	GPQSMROMNVKQTC-MJSGSUOKSA-N	213.237	-0.318	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1	832754846	ULLMRIBINKPPCC-JIGDXULJSA-N	226.276	-0.049	50	10	BBGE	
O=C(NNC(=O)c1ccsn1)c1cc[nH]n1	1300694677	VWWYEFNOYFUVTE-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
CC(=O)C1(C(=O)NNc2nc[nH]n2)CC1	1306852572	BWOVPJXROGQTAV-UHFFFAOYSA-N	209.209	-0.383	50	10	BBGE	
CNC(=O)NNC(=O)c1ncccc1F	1442137811	MDRWPUWIWWSTCQ-UHFFFAOYSA-N	212.184	-0.206	50	10	BBGE	
O=C(NNc1ccncn1)c1cnn(CCO)c1	1449878627	UECOQVBONQDNGN-UHFFFAOYSA-N	248.246	-0.578	50	10	BBGE	
O=C(CNC(=O)C1CC1)NNc1ccncn1	1468215276	XZSRDUBASVLTNM-UHFFFAOYSA-N	235.247	-0.554	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)c1c[nH]nc1C	1616378877	RUCHAHJWSHQUPC-UHFFFAOYSA-N	240.219	-0.958	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NNc1ccc(C#N)cn1	1645053033	UIWQHZCJVWGSKV-SSDOTTSWSA-N	247.258	-0.079	50	10	BBGE	
N=c1[nH]nc([C@@H]2C[C@@H]2Br)n1N	1877387820	GXCQLNMBBKZLTA-GBXIJSLDSA-N	218.058	-0.345	50	10	BBGE	
C[C@H](CCCl)C(=O)NOCC(N)=O	1882474584	HCFPHUYXPPOMAU-RXMQYKEDSA-N	208.645	-0.216	50	10	BBGE	
CNC1CN(C(=O)/C=C/C(=O)Cl)C1	1883647050	HWHFBGBTERNCBM-NSCUHMNNSA-N	202.641	-0.262	50	10	BBGE	
CCCCNC(=O)NN(C)S(C)(=O)=O	1888555082	URELKWXLCICKRU-UHFFFAOYSA-N	223.298	-0.108	50	10	BBGE	
C[C@H](COCCOC1CC1)C(=O)NN	1888720717	FQBKUGNBXGUHPP-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
COCCN(C[C@@H](O)CCl)C1COC1	1890504066	RPWQIXPYIXHDFI-VIFPVBQESA-N	223.700	-0.067	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C1(O)CNC1	1893460442	FSCQGKYYAPEQIA-ACZMJKKPSA-N	218.684	-0.547	50	10	BBGE	
NC[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1Cl	1893470212	QKEPPSXUPQDPKW-HSNKUXOKSA-N	218.684	-0.466	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)/C=C/C(=O)Cl	1893497200	DAJHAVIYSNWVSG-WYPBCBNTSA-N	216.624	-0.606	50	10	BBGE	
C[C@]1(O)CON(C(=O)/C=C/C(=O)Cl)C1	1893498768	YGMCFEMMQHSTSD-UFUPEUMYSA-N	219.624	-0.167	50	10	BBGE	
Cc1cnc(=O)n([C@H](C)CC(=O)NN)c1	1893837762	JDWJBUBPZUXRNE-SSDOTTSWSA-N	210.237	-0.507	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(F)(F)C2)O1	1896175874	MXOGFXHBERFYJG-RQJHMYQMSA-N	235.234	-0.525	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271400	AOEVFAXPNBEXCT-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@]2(C)C1	1898203310	WUBQDUPOKUGCBT-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NN(C)S(=O)(=O)C2CC2)N1	1901348218	DWNJPJTVPIGDIO-HTRCEHHLSA-N	247.320	-0.808	50	10	BBGE	
CNC(C)(C)C(=O)NN(C)S(=O)(=O)C1CC1	1901349189	VPHZCCPFOGIJCH-UHFFFAOYSA-N	249.336	-0.560	50	10	BBGE	
Cc1cc(CN2CC[C@H](B(O)O)C2)ncn1	1902511415	GGPSLBOJOZAXHI-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2cc[nH]n2)C1	1902512890	PDOAMNLJPCNVGR-VIFPVBQESA-N	223.041	-0.511	50	10	BBGE	
C=CCNC(=O)CN1CC[C@](C)(B(O)O)C1	1902540116	BMCOGLUVJQLEBR-JTQLQIEISA-N	226.085	-0.773	50	10	BBGE	
OB(O)c1csc(CN2CC[C@H]2C(F)F)n1	1902638647	FENHFRIVZYDFKR-YFKPBYRVSA-N	248.063	-0.338	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C(=O)/C=C/C(=O)Cl)C1	1902704407	PLUPLSWZZWIILO-RIAPOHOLSA-N	247.678	-0.084	50	10	BBGE	
CC[C@@H](N)COc1cc(B(O)O)c(F)cn1	1903010265	NPOCLXACZNUMNM-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
C=CC[C@H]1COC[C@H]1N1CC(=O)OC(=O)C1	1903097878	YFLKSVMFLJZQEM-DTWKUNHWSA-N	225.244	-0.037	50	10	BBGE	
O=C1NCCN(C[C@@H]2C[C@H]2Cl)[C@H]1C1CNC1	1904678433	AWVGRNAQEXXKKO-SFGNSQDASA-N	243.738	-0.367	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)S(=O)(=O)CC	1913825021	BIBUYUGQPXEODJ-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
O=C=N[C@H]1CCCN(S(=O)(=O)C2COC2)C1	1923188756	HDPSCEYSPARQHK-QMMMGPOBSA-N	246.288	-0.485	50	10	BBGE	
C[C@@H]1CNC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923383532	WZQNLEFLCFEXNK-RFZPGFLSSA-N	239.197	-0.448	50	10	BBGE	
C[C@H](CCC(=O)NN)SCCNCCN	1923484553	VYZWFKIOCSWEDE-MRVPVSSYSA-N	234.369	-0.574	50	10	BBGE	
N#C[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1927816406	MLSGOGMYJIKZBG-ZCFIWIBFSA-N	218.207	-0.543	50	10	BBGE	
NNC(=O)COCCSc1cnccn1	1928181417	NAJTYFKBIDXVLC-UHFFFAOYSA-N	228.277	-0.425	50	10	BBGE	
CC1(C)C[C@@H](CO)N(CC(=O)NN)C1	1931245174	AYPDMIXHZITMSR-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C(C)C)C1	1931483462	QPDYCKHEFQSDBG-VIFPVBQESA-N	215.297	-0.421	50	10	BBGE	
CN1CC(CN(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1936084403	NBBKZTKCKPBYAH-ZJUUUORDSA-N	226.324	-0.894	50	10	BBGE	
C[C@H](O)[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088306	MDBYBFQXOQBXCD-AATLWQCWSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2CC[C@H](C1)O2	1936092553	VAYUTDUWQZXLOU-AXTSPUMRSA-N	225.292	-0.524	50	10	BBGE	
N#C[C@@H]1CCCN(CC2(C(=O)NN)CC2)C1	1938249869	ZQYOAOZQISYGFM-VIFPVBQESA-N	222.292	-0.008	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H]2C[C@@]2(O)C1	1954019942	WIFPHBWGVWKVLU-RNFRBKRXSA-N	225.697	-0.031	50	10	BBGE	
COC[C@@H]1CCOCCN1C(=O)NN	1955613090	CRXIBXYVQXQVQN-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
CCN(C(=O)C(=O)NN)[C@H]1CCSC1	1956762496	DSBJTXBCUDDPCP-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
CN(C[C@H]1[C@H]2CCC[C@H]21)C(=O)C(=O)NN	1960582275	YFCVRSMYKZGRMV-RNLVFQAGSA-N	211.265	-0.519	50	10	BBGE	
C[C@@H](CN1CCOC2(CC2)C1)C(=O)NN	1960943519	IMAUDJMSKQQBAV-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)ccc1F	1963152396	RIOQAVHUJJYTRR-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
NNC(=O)C(F)(F)CCn1cccn1	1964301521	PRLSOJPGWHIITI-UHFFFAOYSA-N	204.180	-0.102	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1F	1975254284	CWLLGKRGOILCHF-CSMHCCOUSA-N	219.260	-0.576	50	10	BBGE	
NNC(=O)N1CCCCNC(=O)C(F)(F)C1	1978787318	CDRDSLNLWQBJHM-UHFFFAOYSA-N	236.222	-0.583	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2cccn2)n1	1980592155	GJCQGFXZCVZHSG-UHFFFAOYSA-N	220.236	-0.732	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C(F)F)nc1	1981414034	NDMBIPYXNXYEHJ-LURJTMIESA-N	228.995	-1.000	50	10	BBGE	
CC[C@@]1(C)CCN1c1ncncc1B(O)O	1982945396	VRIDJHSLPFEOSP-JTQLQIEISA-N	221.069	-0.465	50	10	BBGE	
C=CC1(O)CCN([C@H](CC)C(=O)NN)CC1	1990544429	ATVBMZYGVGHDDO-SECBINFHSA-N	227.308	-0.232	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CC#N)C1	1990774672	MEOZRVBJNRDBON-VIFPVBQESA-N	224.264	-0.611	50	10	BBGE	
Cn1ncc(CNC(=O)C=CC(=O)Cl)c1N	1991652170	YVKHPXWFKYJJQU-UHFFFAOYSA-N	242.666	-0.060	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1CCNC(=O)C1	1991706468	PWFNKKDAVBHXJL-QOHHWTFISA-N	244.678	-0.050	50	10	BBGE	
C=C(CN1CCC[C@@]12CC[S@](=O)C2)B(O)O	1992152273	CHEZVHUJHSDGFH-QFYYESIMSA-N	243.137	-0.458	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C(F)(F)C12CC2	1992153092	LRNJAAFQMCTTOZ-LURJTMIESA-N	228.991	-0.837	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@@H]2C3)nc1	1992321580	CQXQCHAOSQWMPY-AOOOYVTPSA-N	218.065	-0.107	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@@H]([C@@H](F)C(=O)O)C1	1992529448	VYEXSUDBFOUIQN-DSYKOEDSSA-N	233.243	-0.037	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)NCC1(C)C	1996603357	RVTUIMGMTYZHHD-QMMMGPOBSA-N	242.323	-0.774	50	10	BBGE	
CN(c1ccncc1B(O)O)C1[C@@H]2CCC[C@@H]12	2004912871	ZBBWHCBBTLKDIK-RKDXNWHRSA-N	232.092	-0.004	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)C[C@@H]2C)c1B(O)O	2004973696	YPBAMHKUTWIUMC-SFYZADRCSA-N	235.096	-0.300	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2005808175	OATODGRMMWPKDB-GHCJXIJMSA-N	231.064	-0.999	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2005808913	QNFBXIZKEPLXRT-UOKLYIGXSA-N	230.076	-0.394	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC(CO)C2)C1	2013607981	GRCCYBQDLODTTE-SNVBAGLBSA-N	241.335	-0.151	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2CC1(C(=O)NN)CC1	2013677518	VXTJXGSTASQMFS-VHSXEESVSA-N	238.335	-0.465	50	10	BBGE	
CO[C@H](C)CN(C)c1ncc(F)cc1B(O)O	2014926189	JZNOTGNMKLXSIT-SSDOTTSWSA-N	242.059	-0.628	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1[C@@H](F)[C@H](O)C2)C(=O)NN	2016210124	YDAMXUIFTLPLMJ-SOYHJAILSA-N	245.298	-0.452	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCO[C@@H]2COC[C@H]21	2017524355	CLSKGALDEXJRPK-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccnnc1	2020056252	JETSPQCZCJPGIX-SECBINFHSA-N	233.036	-0.693	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@@]32C)c1B(O)O	2052551043	AJCOVSJUMGUMJA-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
Cc1cnc(N2CC[C@]23CCOC3)c(B(O)O)c1	2052623368	IKKRQHJKHBQMKD-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@H]3CCC[C@@H]2CC3)n1	2052624606	SOIUMTBZRQHLFX-AOOOYVTPSA-N	247.107	-0.014	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CCO[C@H]3C2)nc1	2065202843	MEUOFBOCLVPYHK-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2070853220	YOPIQYQTEZIPHF-DBPGGULWSA-N	245.091	-0.753	50	10	BBGE	
CO[C@]1(C)C[C@@H]1NC(=O)c1ccccc1B(O)O	2079009469	IAEYULSKICRNQG-CMPLNLGQSA-N	249.075	-0.726	50	10	BBGE	
CN(CCC(=O)NN)CCc1cnn(C)c1	2210500533	IBELRYJKACQSRA-UHFFFAOYSA-N	225.296	-0.726	50	10	BBGE	
CN(Cc1nscc1B(O)O)C[C@@H]1C[C@H]1F	2211137048	ABMPOMJSJJYEAW-POYBYMJQSA-N	244.100	-0.387	50	10	BBGE	
N#Cc1nccn1C[C@@H]1CC[C@@H]1C(=O)NN	2211827746	MHFYTXHXWNSVDX-YUMQZZPRSA-N	219.248	-0.229	50	10	BBGE	
O=C1CN(CC2(F)CCOCC2)CC(=O)O1	2212158112	UMGPYWGSWUNWDO-UHFFFAOYSA-N	231.223	-0.110	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(CCCO)C1	2212352835	HWNUTMXMJOLZJH-NXEZZACHSA-N	227.308	-0.683	50	10	BBGE	
COC[C@H]1C[C@H]1Nc1ncccc1B(O)O	2212601974	WTDIPWREQOUZEU-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
CCC[C@@H](O)CNc1cc(B(O)O)ccn1	2212611283	YJKXDXSEPGPEBZ-SECBINFHSA-N	224.069	-0.666	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)C[C@H](O)[C@H]1C	2214809276	JXRQSPFPZLPGJR-MRTMQBJTSA-N	243.307	-0.755	50	10	BBGE	
CN(C)C1(C)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215778431	ZCLNWCGFJDAUGO-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
C[C@H]1C[C@@H](Oc2nccc(B(O)O)c2F)CN1	2217187007	RSZWTQZVKYZIDI-NKWVEPMBSA-N	240.043	-0.970	50	10	BBGE	
CN(C)[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)C1	2217190274	MHUCCEQZBOUHLI-AOOOYVTPSA-N	236.080	-0.767	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@H]2COC3)c1	2217195913	BAWQZQLNXCEPIM-UWVGGRQHSA-N	234.064	-0.871	50	10	BBGE	
C#CCN(CC1CC1)c1cc(B(O)O)ccn1	2217202260	VWAKPDPQPVCHSH-UHFFFAOYSA-N	230.076	-0.389	50	10	BBGE	
NNC(=O)C(=O)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217332107	PKQAADVGBKZXAQ-CIUDSAMLSA-N	241.291	-0.872	50	10	BBGE	
Cc1cnc(N2CC[C@H](CCN)C2)cc1B(O)O	2223651266	WAFISUGMSIPTMV-JTQLQIEISA-N	249.123	-0.755	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1nscc1B(O)O	2243346912	FUOIHDFVDXOIHM-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
O=C(Nc1ncncn1)C1(B(O)O)CCC1	2243347273	KJTSHBUNDQLKGW-UHFFFAOYSA-N	222.013	-0.793	50	10	BBGE	
CN(CC1CC(F)(F)C1)C(=O)C#CB(O)O	2243362540	SKLQWXZOAQSXNO-UHFFFAOYSA-N	231.007	-0.495	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)cs2)C1	2243386073	UGULZOOODSLJOT-SSDOTTSWSA-N	239.105	-0.090	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2243390826	BVSLPTKEWBQBPP-KZVJFYERSA-N	226.085	-0.894	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1occc1B(O)O	2243397490	CFUDPIKOBSPNLY-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
O=C(C#CB(O)O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2243400673	FZJCKGIQJJNOFA-AKEJEFCPSA-N	219.049	-0.838	50	10	BBGE	
C#CC1(Nc2nccc(B(O)O)c2F)CC1	2244532617	KMHICTPEMVLTPX-UHFFFAOYSA-N	220.012	-0.522	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	2245107815	XSFHXGNFNUYMAV-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@H](C)C2CC2)n1	2247232947	KNJASLGIKBNACX-SSDOTTSWSA-N	237.064	-0.053	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1coc(B(O)O)c1	2247736700	YSNSNONCNBOLQU-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
C[C@H](N)c1cccc(NC(=O)C#CB(O)O)c1	2247737443	GNNZQEANOYEKNK-QMMMGPOBSA-N	232.048	-0.340	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247786399	AALQEZTZEUZREM-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
Cc1cc(C(=O)NCC[C@@H](C)F)oc1B(O)O	2247789332	UHYZSJQRMLCMAC-SSDOTTSWSA-N	243.043	-0.254	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)[C@H]1C[C@@H](B(O)O)C1	2247791204	LMQPACWUBJQENO-LPEHRKFASA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@@H]1CCCCNC1)[C@H]1C[C@H](B(O)O)C1	2247792256	RPEUZLXDIKXSON-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@]2(CCO2)C1	2247797947	OUERTYYNRYWQGZ-QXEWZRGKSA-N	239.080	-0.369	50	10	BBGE	
C[C@]1(CO)C=CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247798941	YMGKGGYIZDMVCW-WCABBAIRSA-N	239.080	-0.611	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)[C@H]1C1CC1	2247800269	NHLFYUUSZKMZPA-UTINFBMNSA-N	239.080	-0.779	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CO	2247808331	KTLQIVFNIINUQW-KYXWUPHJSA-N	241.096	-0.674	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)[C@H]2C[C@H]2B(O)O)O1	2247810650	ZAWKLOAUIVYLTM-DOLQZWNJSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H](CO)C(C)(C)C	2247810734	ZTQODTHIHSIQDP-HLTSFMKQSA-N	243.112	-0.285	50	10	BBGE	
C[C@H]1CO[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894939	MJKDLIUBKIYOKU-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
Cc1oncc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247897212	PNSVXMIPCQZLNS-OTSSQURYSA-N	238.052	-0.148	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	2247899015	JNYCOZASJJRVPX-MBXMOIHESA-N	239.080	-0.636	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900195	UXLDOEFURFXPBI-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CN(Cc1ncon1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247903398	KCHIQBVYQXSANL-KNVOCYPGSA-N	239.040	-0.719	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248579043	XFTIOHXHZLHUMA-YWIQKCBGSA-N	243.068	-0.535	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@H]2C[C@H]21	2249416962	ZDKLKHHSEIQBRX-OIBJUYFYSA-N	235.048	-0.416	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249427033	BRIVKFGSPRZRPX-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
O=C(CC[C@H]1CCCO1)NCCC#CB(O)O	2250000856	OIXUOSQHZUQEFE-SNVBAGLBSA-N	239.080	-0.533	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(B(O)O)oc1C)C(C)C	2255455307	XNQAZPGTBUHSTF-JTQLQIEISA-N	249.075	-0.345	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)c1ccccc1	2255461577	JZRYNIODYJQIFF-UHFFFAOYSA-N	244.059	-0.029	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cccc(B(O)O)c1F	2255498807	WQDNEWSVUOGFEM-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1ccc(B(O)O)cn1	2255528593	BFDYIKMCMGPETM-SNVBAGLBSA-N	246.075	-0.400	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1c[nH]nc1B(O)O	2255553875	DUIVPUXTFBLZFY-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC2(CCC2)C1	2255691159	LGLAYZFOSABHJD-UHFFFAOYSA-N	246.075	-0.613	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1C[C@H]2C[C@@H]2C1	2255691672	GUNFAOLAUALQTN-HTQZYQBOSA-N	249.050	-0.403	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)NCCC#N	2255745508	RKCWWONOEPFJLH-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CCC1)c1cc(B(O)O)co1	2258122803	HGXZFUXFAYDJPA-UWVGGRQHSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(C(=O)NCCC#CB(O)O)cc(O)n1	2258954038	IBWMLONRZOGLAR-UHFFFAOYSA-N	248.047	-0.769	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2[C@@H]1C[C@H]2O	2298165688	SESYBWLCVNDDDK-HPENLJRUSA-N	239.319	-0.542	50	10	BBGE	
C[C@@H](CCCNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463699	VFGSPTVVBSJZDH-XLPZGREQSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](N)CCNc1ccc(C=O)c(B(O)O)c1	2301423871	YMKVUGHKPMLWLY-QMMMGPOBSA-N	236.080	-0.672	50	10	BBGE	
CC(C)=C(CN1C[C@H]2[C@H](N(C)C)[C@H]2C1)B(O)O	2301964466	KQVDNSOMWADXFL-IAZYJMLFSA-N	238.140	-0.173	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC12CN(C)C2	2302020416	OPBWDFZIRPIRLP-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CN(c1cc(B(O)O)c(F)cn1)C(C)(C)CO	2303847069	CDYVGVUGIIRPCO-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3C[C@@H]3C2)ncc1F	2303847075	CGYIJJITABZYLG-JGVFFNPUSA-N	236.055	-0.253	50	10	BBGE	
C#CCN(CCF)c1cc(B(O)O)c(F)cn1	2303847384	IJCHJSBPLIAMCS-UHFFFAOYSA-N	240.018	-0.690	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cc1O	2304476638	XPDFYDDDPULAFF-UHFFFAOYSA-N	233.032	-0.668	50	10	BBGE	
CCN(C[C@@H](C)O)c1ccc(B(O)O)cc1C#N	2317160886	JLFCDQUERSMYJN-SECBINFHSA-N	248.091	-0.555	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCCl)C(N)=O	35796986	VMGHUORCUHHRBS-SCSAIBSYSA-N	221.644	-0.685	50	10	BBGE	
CCOC(=O)CS(=O)(=O)NCCCl	42534529	AGFNYFQVVUFKSI-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
NNC(=O)CCCN1CCCC[C@H]1CCO	82466503	ZZBNDEQQAKYVEO-JTQLQIEISA-N	229.324	-0.007	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@H]1C(N)=O	82466638	SJXFKNDBYXISOF-QMMMGPOBSA-N	228.296	-0.904	50	10	BBGE	
CNC[C@H]1CCCN([C@H](C)C(=O)NN)C1	82471261	WBLZRXQAOCYZOQ-RKDXNWHRSA-N	214.313	-0.704	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC(C)(C)O	86275140	MFIYJCVKFCMKLT-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(C)(O)CC1	88023274	JNZARNKAIJUBIY-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)Cn1cccc1C(=O)O	149766842	UIXWLIFGRGEFRC-UHFFFAOYSA-N	211.221	-0.221	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CCC(=O)NN)C1	159485627	YKGWTDKWMWZSDE-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@@H](C#N)C1	226178724	LUQYBHYLCHBJET-IUCAKERBSA-N	226.280	-0.631	50	10	BBGE	
COCC1CCN([C@@H](COC)C(=O)NN)CC1	232420278	OPTIKLWAFFQZQS-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
O=C=NC(=O)C[C@H]1CCS(=O)(=O)C1	236413140	WGPROYWVCSQZPA-ZCFIWIBFSA-N	203.219	-0.326	50	10	BBGE	
NC(=O)[C@H](Cl)CCCS(N)(=O)=O	238553172	ALFIDYFIZWPUGM-SCSAIBSYSA-N	214.674	-0.852	50	10	BBGE	
CO[C@@]1(C)CCCN([C@H](C)C(=O)NN)C1	300237707	CZCKTTYIBCBMOZ-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CN1CCCN(CCC(=O)NN)C1=O	306247218	SFNWNGWIKDEPCD-UHFFFAOYSA-N	200.242	-0.876	50	10	BBGE	
Nc1sc2c(N)cccc2c1B(O)O	306631490	DEZVAUFXSJXNII-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CN(C)S(=O)(=O)N1CC(CCl)C1	307148982	QHPHXKRKYDSAIV-UHFFFAOYSA-N	212.702	-0.037	50	10	BBGE	
O[C@@H]1[C@H](Br)[C@@H]2O[C@@H]2[C@H]2O[C@H]12	307709323	LVCQLWWLDHWMCB-FUHDGFEASA-N	207.023	-0.341	50	10	BBGE	
COCC(=O)NN=Cc1cnn(C)c1N	378851880	GIRFNNQAENKAKT-UHFFFAOYSA-N	211.225	-0.901	50	10	BBGE	
Cn1ncnc1CCNC(=O)CCl	379361187	CFWXNUIJJTYBIB-UHFFFAOYSA-N	202.645	-0.287	50	10	BBGE	
CC[C@H](C)CNNC(=O)[C@@H]1COCCN1	381565447	TYRULHKVAOJXAH-IUCAKERBSA-N	215.297	-0.358	50	10	BBGE	
O=[N+]([O-])c1ccc2cc(B(O)O)c(O)nc2c1	382584069	FEPQCFYMYYUIBU-UHFFFAOYSA-N	233.976	-0.472	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1cc(C(=O)NN)no1	384990634	CDFWFRSLTLPJTK-BQBZGAKWSA-N	240.263	-0.767	50	10	BBGE	
COCCNC(=O)NN=C1CC(C(=O)O)C1	393520696	OWQXYOLULXOOPU-UHFFFAOYSA-N	229.236	-0.217	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)n1cnc(C#N)n1	396000299	ZKANUQZPSXHPNJ-ZETCQYMHSA-N	222.252	-0.273	50	10	BBGE	
OCc1c(B(O)O)ccc2cc(O)sc12	396344037	OOOVEKXDZFVPOX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CSSCCNC[C@@H](N)C(=O)O	397910681	ZLNORUBLHAMVAQ-RXMQYKEDSA-N	210.324	-0.001	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@H](C)C1	399584153	CYPYKGIQMFQIGW-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@H](C)C1	399696659	VAQJOVLLNPGXMT-ZJUUUORDSA-N	229.324	-0.031	50	10	BBGE	
CCN(CC(=O)NN)[C@@H]1CCCOC1	402701935	PAYDPEFNDTVCPE-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
Cc1cc(NC(=O)c2cc[nH]n2)ccc1B(O)O	405012986	YZRWFLOXFYORRU-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)s2)CC1	405032614	QYSDIIKJWLUTDO-UHFFFAOYSA-N	226.066	-0.439	50	10	BBGE	
C[C@H](N[S@@](C)=O)c1cccc(B(O)O)c1	405036386	NNRSNXDWDPMZAG-NZFNHWASSA-N	227.094	-0.690	50	10	BBGE	
CN1C(=O)CN(C[C@H](O)CCl)C1=O	688908883	QUEKKHOFJMNRMZ-RXMQYKEDSA-N	206.629	-0.520	50	10	BBGE	
C[C@@H](O)CN(CCCCC(=O)NN)C1CC1	692095622	LWROZQXEUJMNJG-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)cn2)CC1(F)F	694562455	DBMWBRCBOGNJIY-ZETCQYMHSA-N	215.996	-0.392	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@H]1CO	700397023	DWDTZKKPMZJVHX-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
CNC(=O)CN1CCN(C[C@H](Cl)C#N)CC1	700825642	FQRIJRSYUCPWOD-SECBINFHSA-N	244.726	-0.519	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1cccc(B(O)O)n1	704337739	FFEJFJQBDZPYEJ-WRWORJQWSA-N	234.064	-0.254	50	10	BBGE	
C[C@@H]1CCN1Cc1cccc(B(O)O)c1	706783218	PTULCQWXFWQAPQ-SECBINFHSA-N	205.066	-0.039	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2COC[C@H]2C1	718251911	MXNMSYONFYPNIZ-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2COC[C@H]2C1	718252423	OPYUVHIZZOBWDM-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[N+]1=C(CN[S@@+]([O])(=O)CCl)N=CC1	725594547	YEPFHYQBTKNZFP-CYBMUJFWSA-N	224.693	-0.343	50	10	BBGE	
CN(C[C@@H](Cl)C#N)[C@H]1COC[C@@H]1O	725604252	JRAQHBUWFHKABA-FXQIFTODSA-N	204.657	-0.191	50	10	BBGE	
Nc1ncc(C=NNC(=O)NCC2CC2)c(N)n1	842525604	WQADWWXFCZJCRA-UHFFFAOYSA-N	249.278	-0.316	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1c[nH]ccc1=N	843492773	GLIYWNUODSEOSU-UHFFFAOYSA-N	237.263	-0.200	50	10	BBGE	
CN(NC(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC1	843909078	TXQDLYIGYWJKPK-QMMMGPOBSA-N	247.320	-0.854	50	10	BBGE	
C#C[C@@H](CC)NC(=O)NNC(=O)[C@H]1CCCO1	854077758	AZGFNABYDAOYNY-DTWKUNHWSA-N	239.275	-0.092	50	10	BBGE	
CC[C@H](O)CC(=O)NN(C)C(=S)NC	854921228	KDFONMJDNBBPLL-LURJTMIESA-N	219.310	-0.385	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1	862460719	IJESKUTZPMGHRU-ACZMJKKPSA-N	225.248	-0.932	50	10	BBGE	
Cn1nc(C(=O)NNC(=O)c2ccc[nH]2)cc1O	1135846647	RZIHOCNEQYMDBT-UHFFFAOYSA-N	249.230	-0.471	50	10	BBGE	
CNC(=O)NNC(=O)CC1(O)CCC1	1136379113	UQJVPQUEPKUSJA-UHFFFAOYSA-N	201.226	-0.748	50	10	BBGE	
C/C(=C\c1ccncc1)C(=O)NNC(=O)CO	1183078918	UGRSECUZXKAUSC-SOFGYWHQSA-N	235.243	-0.375	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@]1(C)CCC(=O)NC1	1256524120	SGTBCIIEESVFKV-SNVBAGLBSA-N	242.279	-0.795	50	10	BBGE	
Cc1cc(=NNC(=O)c2cn(C)nn2)cc[nH]1	1453855500	JBDPHSSNJBFDQD-UHFFFAOYSA-N	232.247	-0.303	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCCc1nncn1C	1627458886	KOEFSANBHWBMSB-CLFYSBASSA-N	249.274	-0.082	50	10	BBGE	
COc1cncc(C(=O)NNc2cnnn2C)n1	1638740940	YRVGTSJGWSMBQD-UHFFFAOYSA-N	249.234	-0.629	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2ncon2)c[nH]1	1648115374	DEJIJEGKZLAGCY-UHFFFAOYSA-N	246.186	-0.656	50	10	BBGE	
NCCSSCCNS(N)(=O)=O	1880848427	QENUWLYSNDRENS-UHFFFAOYSA-N	231.368	-0.880	50	10	BBGE	
N[C@]1(C(=O)NCC(Cl)Cl)C[C@H](O)C1	1883255645	KSFLRNWMTATKPD-KIRWANIJSA-N	227.091	-0.242	50	10	BBGE	
NC(=O)C1(OC[C@H]2C[C@H]2Br)CNC1	1883558713	TXNHWLSVJSDEOS-PHDIDXHHSA-N	249.108	-0.386	50	10	BBGE	
CS[C@H](C(=O)NNCCO)C1CC1	1886655670	CTOAECFMGNTLLQ-ZETCQYMHSA-N	204.295	-0.259	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	1894741520	FPWIFOALLLGXBA-DSYKOEDSSA-N	233.023	-0.204	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC=C[C@H]1CO	1901765124	UTJOFAGRQXBXOR-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
CN(C(=O)CN1CC[C@@H](B(O)O)C1)C1CC1	1902515669	JUVKSEWZVWRHMW-MRVPVSSYSA-N	226.085	-0.844	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1nc(B(O)O)cs1	1902638483	BQSOOYSPGLUAQA-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1(C)COC1	1907525856	WKZWVXWSTHMXIV-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
O=C(NCB(O)O)C1(CC(F)(F)F)CC1	1910196351	ZRBDALNCUUMWCT-UHFFFAOYSA-N	224.975	-0.153	50	10	BBGE	
NC(=O)C(=O)N1CCSSCC1	1923842402	GMTWYRFCXBBZAK-UHFFFAOYSA-N	206.292	-0.305	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOCC(C)(C)C1	1928483569	VVAZKKQPEDJFMH-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
O=C(CBr)N1C[C@@H](O)[C@H](F)C1	1929870237	NZYTYSFSYYKFGM-RFZPGFLSSA-N	226.045	-0.078	50	10	BBGE	
CC1(F)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1930280266	ZDPUIWCWOCHUGB-NKWVEPMBSA-N	201.245	-0.344	50	10	BBGE	
CC(C)[C@]1(O)CCN(CC(=O)NN)C1	1930889485	GWWMPMGTIOJERT-VIFPVBQESA-N	201.270	-0.931	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O	1932715171	BTCPRVNTPIVXJH-ACZMJKKPSA-N	213.237	-0.423	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1937477442	LWRYDPKXGXYFFL-JEZHCXPESA-N	227.308	-0.542	50	10	BBGE	
Cc1cc(B(O)O)sc1CNC(=O)C1CC1	1939863668	ANZOFZHHCAPHLG-UHFFFAOYSA-N	239.105	-0.237	50	10	BBGE	
NNC(=O)C1(CN2CCN3CCC2CC3)CC1	1945889988	YJQWDJJVHQYPTN-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)[C@H](O)C1	1954240062	ROBNDFDKWSEVAI-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
C[C@H](CN(C)Cc1ncno1)C(=O)NN	1958694869	IEKQVWVHZGNYLJ-ZCFIWIBFSA-N	213.241	-0.873	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@@H]2O)[nH]1	1958989182	GVNHPWVDSVXSFS-WHFBIAKZSA-N	229.671	-0.620	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)CC(=O)NN)CCO1	1959102585	IIZDUSMZJZBIJE-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
Cn1cc([C@H]2CCN(C(=O)NN)C2)cn1	1961483033	OROWDBKFYABRCK-ZETCQYMHSA-N	209.253	-0.207	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	1961571170	KAMVAJHNFUKLKT-HXFLIBJXSA-N	213.281	-0.933	50	10	BBGE	
CO[C@H]1CCN(c2nc(B(O)O)cs2)C1	1961717657	DJNOGXLGCBVORP-LURJTMIESA-N	228.082	-0.952	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962375377	DCGMPTQITKOBRD-JKMUOGBPSA-N	234.683	-0.237	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCN(C2CC2)C1	1976579766	SOTFISSBPDJKHW-SNVBAGLBSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)CCCN1CCC12CC(CO)C2	1976885899	NZAITXGDLDEMMU-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CC[C@H]1CCOCC[C@H]1NC(=O)C(=O)NN	1978955215	GERYOJXXRZTABB-JGVFFNPUSA-N	229.280	-0.702	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)c1c[nH]c(=O)cn1	1979657487	FQURIIWZFSTZTJ-FSPLSTOPSA-N	243.650	-0.494	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@H]2C[C@@H]21	1980229516	SZIFIQGIKVXKMT-IUCAKERBSA-N	226.324	-0.609	50	10	BBGE	
CCCc1ncc(CNC(=O)C(=O)NN)s1	1980912324	MUDZLORYQINKCZ-UHFFFAOYSA-N	242.304	-0.298	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)c1cnn(C)c1	1980917637	SBDWSDWGIRTJIA-SECBINFHSA-N	225.296	-0.129	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H](CF)C1	1981425015	BJMGLYBRXZZDTE-MRVPVSSYSA-N	224.044	-0.443	50	10	BBGE	
Cc1nc(S[C@H]2CCOC2)ccc1B(O)O	1981451395	VVKLGNNWNXPZEQ-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@H]2C)ccc1B(O)O	1981529357	CMPZCDBRRDXDLS-XCBNKYQSSA-N	220.081	-0.086	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H](CCl)[C@@H](F)C1	1983545040	BMSRSPMMYDRHTI-BQBZGAKWSA-N	247.661	-0.292	50	10	BBGE	
O=C1CO[C@@H]2CCN(C(=O)OCCl)C[C@H]2N1	1986842490	WKMDJAOBQSDYAH-RNFRBKRXSA-N	248.666	-0.091	50	10	BBGE	
C[C@H](OC[C@H]1OCCOC1(C)C)C(=O)NN	1987315824	QTRUUNJWDWWCSI-JGVFFNPUSA-N	232.280	-0.425	50	10	BBGE	
CCn1nnnc1CN(C)C[C@H](Cl)C(=O)O	1991016243	ALIJPZYWYRJUGK-LURJTMIESA-N	247.686	-0.183	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)/C=C/C(=O)Cl	1991701090	BTISZMMFSWXLFG-ONEGZZNKSA-N	243.654	-0.510	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	1992141918	AHJORVHONMJVPH-RTDTXEGNSA-N	219.049	-0.980	50	10	BBGE	
COC[C@@]1(C)CC(=O)N(C[C@H](C)C(=O)NN)C1	2003990863	ALLUHKGXUAHYFO-KWQFWETISA-N	243.307	-0.503	50	10	BBGE	
C[C@H]1CN(c2ncncc2B(O)O)CC1(F)F	2004912384	SFBMEJRMPQQLJE-LURJTMIESA-N	243.022	-0.752	50	10	BBGE	
C[C@H]1CCCCCN1c1ncncc1B(O)O	2004921461	WJMHAWRMXZXJHF-VIFPVBQESA-N	235.096	-0.075	50	10	BBGE	
Cc1ccnc(O[C@@H]2COC[C@@H]2C)c1B(O)O	2004925588	SCBFAVRXDOPJDE-DTWKUNHWSA-N	237.064	-0.516	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cnc(C)c1C	2004989971	CXLIWQRPRHLOOZ-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
C=CC1(Cn2cccc(B(O)O)c2=O)CCC1	2008844131	KFMRQKNBEINDKV-UHFFFAOYSA-N	233.076	-0.116	50	10	BBGE	
C[C@H](CN1CCC2(CC[C@H]2O)CC1)C(=O)NN	2014134230	PHDMJCRDMIOTIS-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
N#CC1CN(C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020062462	RECULTRAMKNITB-SECBINFHSA-N	235.052	-0.748	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	2021157268	KAHUPBAMDZOKSW-AXTSPUMRSA-N	233.076	-0.590	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1ccccc1B(O)O	2022196905	ULHBOPOKJQHTGK-SECBINFHSA-N	233.076	-0.082	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1	2022196912	UQILQDXCSYHYJD-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2026810317	DFWIAQUQBNKVGF-LNRQSERFSA-N	231.060	-0.205	50	10	BBGE	
Cc1ncc(C(=O)Nc2ccc(B(O)O)cn2)o1	2040762438	CYLNATHBPUKZNT-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CCN1CC(CN(C)c2ncccc2B(O)O)C1	2052493149	YFHJCTUZUWAFFZ-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
Cc1nc(N2CC[C@H](C)[C@@H](C)C2)ncc1B(O)O	2052555114	CSVSICMIIPUJNK-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CCC[C@H]32)c1	2212601374	NDUPQQNRYLNVAY-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1ccnc(N2CCCCCO2)c1	2212604404	VUEGDELIJJRUKK-UHFFFAOYSA-N	222.053	-0.317	50	10	BBGE	
C#C[C@H]1CCN1c1nccc(B(O)O)c1F	2212606439	UGKFBQLQXZXHRE-ZETCQYMHSA-N	220.012	-0.888	50	10	BBGE	
C=C1COC[C@@H]1Nc1ccc(B(O)O)cn1	2212613136	SHARGQSZRTUHHM-VIFPVBQESA-N	220.037	-0.872	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)C[C@@H](F)C1	2213879909	LWFMIWCZRGBLAY-ZJUUUORDSA-N	247.314	-0.059	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2217180827	LCYCPDWSWJNPFW-ZLYVCXLSSA-N	231.064	-0.777	50	10	BBGE	
C[C@H](CN(C)C)Nc1nccc(B(O)O)c1F	2217182048	YJAZOWRAMILLDK-SSDOTTSWSA-N	241.075	-0.738	50	10	BBGE	
CCOC(C)(C)COc1cc(B(O)O)ccn1	2217191265	IWEAJJGTVKHMSY-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
CC[C@@](C)(CN)Oc1nccc(B(O)O)c1F	2217195263	HTUSDQQYTDAFLN-JTQLQIEISA-N	242.059	-0.593	50	10	BBGE	
COCOCCCNc1ncccc1B(O)O	2217197263	ZDJYFKZBDKGXGW-UHFFFAOYSA-N	240.068	-0.816	50	10	BBGE	
NNC(=O)CCCCCn1cncc(F)c1=O	2217269748	ZYZRYCXYEHRVKA-UHFFFAOYSA-N	242.254	-0.067	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)Cc1ncno1	2220056777	FPKBEMQCJITSMQ-UHFFFAOYSA-N	247.063	-0.619	50	10	BBGE	
OB(O)c1ccnc(-n2cnc(C3CC3)n2)c1F	2223610702	PMMIVWQSBDKXAO-UHFFFAOYSA-N	248.026	-0.641	50	10	BBGE	
C#CC[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2223639894	HQUDNSXEYZRRMR-VIFPVBQESA-N	248.066	-0.250	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CC[C@H]1CC(O)C2	2223645326	VPRYZYNUSITHGO-IUCAKERBSA-N	248.091	-0.747	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)c1cc(B(O)O)c(C)cn1	2223653818	UYKIDYVFYNMUCE-LBPRGKRZSA-N	244.103	-0.082	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c1F	2223661233	PCVPKQSWURDEGF-GPPXWSAVSA-N	249.050	-0.066	50	10	BBGE	
OB(O)c1cccnc1N[C@]12CCCNC[C@H]1C2	2223672695	BUICGSIYFPSKLG-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2CNC[C@@H]21	2223675871	UGTPOIVOGDZODK-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1ccc(=NCc2cncc(F)c2)[nH]c1	2223677194	LAIJBCPFNICAEY-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
CO[C@H](C)CNS(=O)(=O)N1CC(Cl)C1	2241354373	XATOVQFBVCNXET-ZCFIWIBFSA-N	242.728	-0.221	50	10	BBGE	
C[C@H](CF)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2241734491	ZFZWGIBCBFOILZ-DSYKOEDSSA-N	203.022	-0.334	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	2242163157	IJZIUYDBTSQZST-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCCCC[C@H]21	2243357462	XCNHZWMPTUUEFX-VHSXEESVSA-N	221.065	-0.207	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ncsc1B(O)O	2243359176	PZAGJUDJGINNIB-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CN[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243364387	WMYYCODFISVXKY-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H](NC(=O)c1csnc1B(O)O)C1CC1	2243378602	WHOMHQSHBNGDFO-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cc(B(O)O)sn1	2243378736	YLXZTKLMFMWRPD-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
CC[C@H](CN(C)C(=O)[C@H]1C[C@H]1B(O)O)OC	2243380996	BTGKSQVHQVNMFV-HRDYMLBCSA-N	229.085	-0.267	50	10	BBGE	
C[C@H](N(C)C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)O	2243381720	IVABBPZMSFNUBH-BIIVOSGPSA-N	229.085	-0.533	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CN1	2243390797	BMNWKDVLTBAQLK-FXQIFTODSA-N	226.085	-0.894	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)[C@H]1C[C@@H]1B(O)O	2243405029	YJYHDGFVAGXDTI-YUMQZZPRSA-N	227.069	-0.920	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)cs1	2243419641	CZIDDHURSPGMPW-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
C=C(C)C(=O)NCc1cc(C)c(B(O)O)s1	2243678672	MJSZBAZSZXQTRJ-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
C=CC(=O)NCc1ccc(B(O)O)cc1F	2243960651	SUEFXLLDIHOJON-UHFFFAOYSA-N	223.012	-0.692	50	10	BBGE	
C[C@@H](C#N)OCCN1CCC(B(O)O)CC1	2244176758	JRYZYYVOONIELF-VIFPVBQESA-N	226.085	-0.146	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244206618	ZEPSITVZTDEOQV-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cocc1B(O)O	2244211613	JCVVYWNYNXJEIB-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(CF)C1	2244214013	MNNYVOUCZANAIC-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
C=CCN(OC)c1nc(C)ccc1B(O)O	2244266963	LKLJYWFVMXJJJZ-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244303503	WDDCGECPPDZOTK-CKEKPRIKSA-N	227.308	-0.542	50	10	BBGE	
CN(C(=O)Nc1ccccc1B(O)O)C1CC1	2247219027	ZEUPCVKFMQFEEC-UHFFFAOYSA-N	234.064	-0.008	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)o2)C[C@H]1F	2247738254	OWYCFRNLHRAMGY-RNFRBKRXSA-N	241.027	-0.611	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@]2(CCCO2)C1	2247742776	UDCDWTRPLHFOTB-NSHDSACASA-N	237.064	-0.827	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2247743010	XPPRVFAOAZPMQF-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
CCCn1ccc(=NC(=O)C2(B(O)O)CC2)[nH]1	2247756539	NREVINKDELEVDP-UHFFFAOYSA-N	237.068	-0.340	50	10	BBGE	
C[C@H]1NCCC[C@H]1NC(=O)C1(B(O)O)CCC1	2247757300	QNZMQYHJJAOIPB-RKDXNWHRSA-N	240.112	-0.360	50	10	BBGE	
C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)[C@H]1CO	2247758297	UTYISMXOEJMUJA-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@@]2(CO)C1	2247786812	GXZACXOFGZDNPS-CKEKPRIKSA-N	239.080	-0.920	50	10	BBGE	
CC=CCNC(=O)c1ncc(C)cc1B(O)O	2247791210	LRZMARYIFFZQGX-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
CCc1nocc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247797498	KGQOYLSJUJAVMT-HTQZYQBOSA-N	238.052	-0.284	50	10	BBGE	
CCOC[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247808504	LFSDGZWCBRNVSJ-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@H]1CCC[C@@H]1O)C(=O)C1(B(O)O)CC1	2247879974	XCIRSBREFGRQCT-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CCCOCC1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247887976	UJARWOJBSNUINQ-VHSXEESVSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H](CCNC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248576581	HNYFLQPZUFUFRY-FXQIFTODSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H]1C[C@]1(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248588089	YRWZKRMGPGQYEE-LHLIQPBNSA-N	241.052	-0.637	50	10	BBGE	
C/C=C/C[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248588351	BRKPCNCXDMEWKM-AIYRYJHASA-N	241.052	-0.471	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1ccoc1B(O)O	2255469498	PYOPKMQFVSEOLM-MBTKJCJQSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@@H]2CC[C@H]21	2255553483	ZJYLDANRCQOSQG-VXNVDRBHSA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@H]3C[C@H]32)oc1B(O)O	2255573000	FXSPVBVJZYDBBK-DTWKUNHWSA-N	249.075	-0.108	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1ncc[nH]1	2255683413	WCRUQLBRVMPSIF-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@H]2C[C@H]2C1	2255722463	OSSGIWNBFUEQQT-WPRPVWTQSA-N	246.075	-0.757	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2coc(B(O)O)c2)C1	2255731904	MYUJCFCNEIEOAJ-WCBMZHEXSA-N	247.059	-0.509	50	10	BBGE	
CC1CC(NC(=O)c2ccc(B(O)O)cc2O)C1	2255937634	WRZDUABLQWXBTI-UHFFFAOYSA-N	249.075	-0.400	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2258125057	LMUMAKJTWUWRKH-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3cocc3B(O)O)C[C@@H]12	2258151099	KHWHHROIRRZDHB-VGMNWLOBSA-N	249.075	-0.313	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H]2[C@H](O)C[C@H]21	2296687710	IINVSLMANIKPEN-FSDSQADBSA-N	225.697	-0.032	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](F)[C@@H](CO)C1	2298166038	OPWIOOLAFNKSBG-SGIHWFKDSA-N	245.298	-0.735	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1CNC2)[C@H]1C[C@H]1B(O)O	2298368574	MTUMFEZGRFLSTJ-PKIKSRDPSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@@H](O)[C@H](C2CC2)C1	2298371416	KVEVQGPMWJARFW-AATLWQCWSA-N	239.080	-0.921	50	10	BBGE	
NC[C@]1(F)C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377231	IZOLPNHHNNQCHC-VQKYGHEFSA-N	244.075	-0.815	50	10	BBGE	
C[C@@H](O)C1CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300365945	CPUCZMOBXPETOD-WCABBAIRSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2COC[C@H]21	2300374168	SYWQKNASQUXVNI-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
CC(C)(N)CNc1ccc(C=O)c(B(O)O)c1	2301452932	OGSAPLHJJWTKDY-UHFFFAOYSA-N	236.080	-0.672	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(CCO)CCCO	2302050618	RWJXRXNHUVQWIX-JTQLQIEISA-N	247.339	-0.788	50	10	BBGE	
O=C(NC[C@@H](O)c1ccccc1)[C@H]1C[C@H]1B(O)O	2312851522	HYMDPSUKDLEKQO-HBNTYKKESA-N	249.075	-0.301	50	10	BBGE	
CC1(O)CC(Nc2ccc(B(O)O)cc2C#N)C1	2317162724	LHBPNZRLTHTZQP-UHFFFAOYSA-N	246.075	-0.437	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)NO)C1	40168094	UYPAGWVMFMYJAF-DMTCNVIQSA-N	244.725	-0.756	50	10	BBGE	
O=C(NNC(=O)c1ccc[n+]([O-])c1)NC1CC1	49144606	CZMYNDWEMWKGGI-UHFFFAOYSA-N	236.231	-0.574	50	10	BBGE	
NNC(=O)CCCCCn1cc(C(N)=O)cn1	71292179	ULGJLTDNLIPRSU-UHFFFAOYSA-N	239.279	-0.468	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	82470028	QDUXGNMDGLNQQZ-HTQZYQBOSA-N	228.296	-0.905	50	10	BBGE	
NNC(=O)CCCn1ccsc1=O	82471546	ZUKDXSPOMLGOCQ-UHFFFAOYSA-N	201.251	-0.320	50	10	BBGE	
O=C(CCCl)NCCCc1nnn[nH]1	95118468	UMEYFIMGNQFKKR-UHFFFAOYSA-N	217.660	-0.123	50	10	BBGE	
CSCC(=O)NNC(=O)NCC(F)F	134300012	FGLVMJQNJAPFFL-UHFFFAOYSA-N	227.236	-0.055	50	10	BBGE	
Cn1ccn(Cc2ccccc2C(=O)NN)c1=O	149368877	ZXZUYARTARQIKV-UHFFFAOYSA-N	246.270	-0.161	50	10	BBGE	
O=COCCCc1cccc(B(O)O)c1	200175574	KLGIZUJGRDLBOW-UHFFFAOYSA-N	208.022	-0.528	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C[C@@H](Cl)C#N	228519298	RQROMTZUWKCFLN-RQJHMYQMSA-N	201.657	-0.062	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@@H](C)N1C	228858182	QTSWENMGJSORIN-BBBLOLIVSA-N	228.340	-0.221	50	10	BBGE	
O=C1CN(S(=O)(=O)CCCl)CCCN1	232300224	XJSIILUTKHJXDZ-UHFFFAOYSA-N	240.712	-0.623	50	10	BBGE	
CCN(CC(C)C)[C@@H](COC)C(=O)NN	232419078	QOLULVWRUPOAFM-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CCCN1C	232420464	DNWMRLZQVGRFDZ-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN([C@H](C)CC(=O)NN)C1	300712397	IDMBVYHUJTZNEJ-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H]1CCO	304587399	RNAZZMGMJPAZRY-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)c1c(C)nsc1N	306199157	RHCIEXSHZFRFMV-UHFFFAOYSA-N	214.250	-0.185	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H](C)c1nc(=O)[nH][nH]1	306977317	ASOQEVDGRJARRR-QWWZWVQMSA-N	218.644	-0.098	50	10	BBGE	
Cn1ncnc1CNC(=O)CBr	307498986	KQXJJCMPBWUDBV-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@@H]1CCOC1	308979082	DDPZOBPVGUOAMX-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C(=O)CCCCl)C1	309060286	VHWDMJWUBIXGNZ-VIFPVBQESA-N	234.683	-0.546	50	10	BBGE	
O=C(O)CNC(=O)NNc1ncc(F)cn1	381117019	HOMRTYHRCFZPCW-UHFFFAOYSA-N	229.171	-0.674	50	10	BBGE	
CC(=O)NNC(=O)CN(C1CC1)[C@H](C)C(=O)O	382970859	REWFXLGCRLTFIJ-ZCFIWIBFSA-N	243.263	-0.909	50	10	BBGE	
Cc1ccn(Cc2nc(C(=O)NN)co2)c(=O)c1	386871024	XIWRTDNCANEBEL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](C)CCC(=O)NN	393282882	HRMWSSYDRNUCRO-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CCNC(=O)CN(C)CCC(C)(C)C(=O)NN	395616712	QATSJPGWDVFWEM-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
Nc1cc(B(O)O)c2scc(CO)c2c1	396250899	RYQJHOJJQVFEHI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1C[C@H](CN2CC(=O)OC(=O)C2)CN1C	396633126	GQAGAZCNLACMQB-BDAKNGLRSA-N	226.276	-0.288	50	10	BBGE	
CN1C(=O)C[C@H](C(F)(F)F)[C@@H]1C(=O)NN	399833180	KLQCYNJDQBCVSP-WVZVXSGGSA-N	225.170	-0.615	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)cc1C	405069018	AAFSKRGMYHBQIJ-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687259319	JGNMRYHIVQDRKR-DCAQKATOSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H]1CCCN(CCCC(=O)NN)[C@H]1CO	688735993	HGLBVAPKTPVGAI-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1cn(C)nn1	690434725	AUXGCJCQZBDBNE-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
N#CC1(O)CCN([C@H]2CCOC2=O)CC1	692125230	ZQVAPERKDYVZIT-QMMMGPOBSA-N	210.233	-0.348	50	10	BBGE	
O=C(OCCl)N1CC[C@H](O)[C@H](CO)C1	692809942	UEYJVHXIVDPZMH-BQBZGAKWSA-N	223.656	-0.006	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@@H](CCl)C2)n1	697204839	VYJRUGKFNPSXAP-LURJTMIESA-N	229.671	-0.089	50	10	BBGE	
C[C@H](C(=O)NCB(O)O)n1cnc2ccccc21	701967766	YVSYOIVWKQLGEK-MRVPVSSYSA-N	247.063	-0.275	50	10	BBGE	
CN1C[C@H]2CN(CCCC(=O)NN)C[C@@]2(C)C1	702404920	IAJVLGJUHZRTDX-CMPLNLGQSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)CCCN1CC[C@]2(CCOC2)C1	707279422	SQWUKOSTNVTOGC-NSHDSACASA-N	227.308	-0.131	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)N1CCc2c(B(O)O)cccc21	712263785	WSEBKDKYMANLDS-WCBMZHEXSA-N	245.087	-0.089	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	721873342	GBPXLKJYMSBJMX-JGVFFNPUSA-N	243.307	-0.314	50	10	BBGE	
Cn1ccc(C=NNC(=O)[C@@H]2COCCO2)c1	749861348	PGKDOZPHDDHEDT-JTQLQIEISA-N	237.259	-0.109	50	10	BBGE	
CC(=O)N1CCO[C@@H](C(=O)NN(C)C2CC2)C1	823251028	NNQOUFPMLXIEIO-SNVBAGLBSA-N	241.291	-0.641	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@]1(C)C[C@H](O)CN1C	824156129	JHJAOZYTAAHXEM-XVKPBYJWSA-N	245.279	-0.829	50	10	BBGE	
C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCl	828348488	WEHCRNJPRIXEKE-RXMQYKEDSA-N	226.685	-0.368	50	10	BBGE	
CC(=O)NNC(=O)C[C@]1(O)CCCN(C)C1	899927967	YBNNSYPGUNEAPE-SNVBAGLBSA-N	229.280	-1.000	50	10	BBGE	
Cn1ncc(C(=O)NNc2ncc(F)cn2)n1	1151150979	BGLVTPSUCCYBRN-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1CCCNC1=O	1158784347	BRIWTJLEUGKLRE-FUOZMLNRSA-N	237.259	-0.175	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CO)ncc1C#N	1161080790	TYJBLRVQPQATFJ-UHFFFAOYSA-N	234.215	-0.985	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)N(C)C)[C@H]1CCOC1	1328183833	GKLOJQDXYJODGT-YUMQZZPRSA-N	245.279	-0.660	50	10	BBGE	
Cn1ncc(CCC(=O)NNc2ncccn2)n1	1328595288	RNRONJBUQJPQGM-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
CC(=O)NNC(=O)c1cn2c(n1)COCC2	1329711155	UHGLEDXWXVDFFB-UHFFFAOYSA-N	224.220	-0.806	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)CS(C)(=O)=O	1454278340	RJWABRXEXRJYJQ-SNAWJCMRSA-N	246.288	-0.689	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC	1625729076	KUKPUZNTILEIFU-NKWVEPMBSA-N	243.263	-0.464	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1=C[S@@](=O)CCC1	1631399275	XSMGLEZQKDBQCO-INIZCTEOSA-N	245.304	-0.285	50	10	BBGE	
N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[C@@H]1Cl	1877393100	CVZSMOJVTDEUOJ-HSNKUXOKSA-N	218.684	-0.154	50	10	BBGE	
N=c1[nH][nH]c(=NC[C@H]2C[C@H]2Br)[nH]1	1881373534	MVSXGDPZGYVAMK-QWWZWVQMSA-N	232.085	-0.166	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H](O)C[C@@H](O)C1	1882571437	ACADZWSLISIWSE-BWZBUEFSSA-N	204.657	-0.455	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1([C@@H](O)CO)CC1	1882988609	LYLSKNHHDGPEIL-RITPCOANSA-N	207.657	-0.384	50	10	BBGE	
N[C@@H](CCO)C(=O)NC[C@H]1C[C@@H]1Cl	1883551526	JWZOJHWLUHODLW-VQVTYTSYSA-N	206.673	-0.560	50	10	BBGE	
CN(CC(=O)NN)C[C@@H](F)C(F)(F)F	1885375636	FHUMSHWCBRTGFG-SCSAIBSYSA-N	217.166	-0.192	50	10	BBGE	
COC(=O)[C@H](Cl)CS(N)(=O)=O	1887590357	YDZRRFLDFLDRQE-GSVOUGTGSA-N	201.631	-0.945	50	10	BBGE	
CC(C)(F)COCCOCC(=O)NN	1888994357	ZFAUCTAJTRMHFX-UHFFFAOYSA-N	208.233	-0.242	50	10	BBGE	
O=C(O)C1(NC2CC(Br)C2)CNC1	1892922710	YCZDNXPSHNRCGX-UHFFFAOYSA-N	249.108	-0.072	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CCO[C@@H]3C2)CC1	1895093439	LYJCGUJOQUUXSK-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@H]32)CC1	1897316303	RTLAJHLLUSDOQF-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]1C[C@@H]2O)C(=O)NN	1900378679	LTSRXTWTYYBXNJ-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H](CN1C[C@H](O)C1(C)C)C(=O)NN	1900686220	KSWOYIFPCPIBEY-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NN1CCC1	1901206178	XQSDZDGQELKTLS-UHFFFAOYSA-N	217.037	-0.729	50	10	BBGE	
C[C@H](CCCC(=O)NN)SCCNCCN	1901753610	XQKQMPHAOLJHQY-SECBINFHSA-N	248.396	-0.183	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](F)C1=O)C(=O)NN	1902719137	CQZAKRSLYBGOOJ-XCBNKYQSSA-N	231.271	-0.037	50	10	BBGE	
Cc1ccn([C@@H](C)CC(=O)NN)c(=O)c1C#N	1905771986	LMBPFGDFIXHDPQ-QMMMGPOBSA-N	234.259	-0.031	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C[C@@]12COC[C@@H]1C2	1906059748	RHIHFSGMSRAASS-CABZTGNLSA-N	239.319	-0.275	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1ncncc1B(O)O	1909569547	PTXPVIOMYDLWTF-SFYZADRCSA-N	239.059	-0.802	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CCC(C)(C)C(=O)NN	1914255011	JHEXOMNDJJZCCN-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
N#CC[C@H]1CCN(CCOCC(=O)NN)C1	1915017674	IDSVWLDHXBTMLV-VIFPVBQESA-N	226.280	-0.772	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(C)(C)CO	1931081050	UXZOCGQVDQBGBY-QMMMGPOBSA-N	217.313	-0.295	50	10	BBGE	
O=C1CN([C@H]2C[C@@H]3OCC[C@@H]32)CC(=O)O1	1931660747	IKNOSPLRHQHOOX-CSMHCCOUSA-N	211.217	-0.451	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CN(C)C2)C1	1932060014	BOXBVFCRFAEDMH-QMMMGPOBSA-N	212.297	-0.998	50	10	BBGE	
C[C@@]1(CO)CCN1CC(F)(F)C(=O)NN	1932966846	HHQMIWQRNBOKBU-ZETCQYMHSA-N	223.223	-0.932	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CC1(C)C)C(=O)NN	1934006117	YEISFEFHIQRKBA-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@H](O)C2	1934048381	VJBORNUOAFSBDS-BRPSZJMVSA-N	213.281	-0.646	50	10	BBGE	
Cc1cccc(=O)n1C[C@H]1C[C@@H]1C(=O)NN	1936080035	ICGFDJSHYQTGFL-BDAKNGLRSA-N	221.260	-0.217	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]23CC[C@@]2(COC3)C1	1937255566	YMKWTYFCECVBDJ-MIMYLULJSA-N	225.292	-0.523	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)C[C@@H]1C	1939637809	JTHZMWKFIGYMLH-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CCCO	1941085500	DIECXQBSYVHAPY-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@@H]1CO	1944079721	HQYTZHJVWQJEAG-SECBINFHSA-N	239.275	-0.242	50	10	BBGE	
Cc1cc(CN2CC(CO)C2)oc1C(=O)NN	1944080054	LDMOVMQCWWQBLH-UHFFFAOYSA-N	239.275	-0.384	50	10	BBGE	
CCC(=O)N1CCc2c(cccc2B(O)O)C1	1944860292	QRSNQGTWGYVKTI-UHFFFAOYSA-N	233.076	-0.339	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1948554911	VXUBLIKSUNMWFZ-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
COCCN1CCCN(CCC(=O)NN)CC1	1949128689	KNTXOSFRZNDVRZ-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
CN1[C@H]2CC[C@@H]1C[C@@H](N1CC(=O)OC(=O)C1)C2	1949279686	MSUSRQQLNDSPLH-ILWJIGKKSA-N	238.287	-0.003	50	10	BBGE	
CS(=O)(=O)CC[C@@H](O)C[C@@H](O)C#N	1951420372	HOUQHOZWNOXHKO-RNFRBKRXSA-N	207.251	-0.943	50	10	BBGE	
OC[C@H]1CN(C[C@H](O)CCl)CCO1	1954822017	IIDISCDOLGRSQZ-HTQZYQBOSA-N	209.673	-0.721	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCl)C1	1956310422	VZPCCZAOXOSHPC-RNFRBKRXSA-N	243.712	-0.406	50	10	BBGE	
NNC(=O)N1CC[C@@H]2SC(=O)C=C2C1	1956863391	WKBRCYAQSACTKU-LURJTMIESA-N	213.262	-0.156	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@](O)(CN)C1	1957256756	OREJXDBHUWOVBQ-IUCAKERBSA-N	217.700	-0.097	50	10	BBGE	
N[C@H](B(O)O)c1cccc2c1OCCO2	1974940853	GLEVLBGAYBVIMO-VIFPVBQESA-N	209.010	-0.530	50	10	BBGE	
CCCCOC(=O)N[C@@H](CB(O)O)C(=O)O	1976980431	XUFPGNYHIIGWCP-LURJTMIESA-N	233.029	-0.561	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)C2CC2)[C@@H](N=C=O)CO1	1979163046	KGDUGGPEIWTTFX-IONNQARKSA-N	246.288	-0.139	50	10	BBGE	
C[C@@H](CC(=O)NN)N=[S@@](C)(=O)N1CCCC1	1979783671	AIKZBTDZODCGQO-ZKANADHPSA-N	248.352	-0.137	50	10	BBGE	
NNC(=O)CN1CCC([C@@H]2CCOC2)CC1	1981083840	XCXFNGFIXZXKTH-SNVBAGLBSA-N	227.308	-0.275	50	10	BBGE	
Cc1ccnc(N(C)CC(F)F)c1B(O)O	1981413768	KLFZBRWPDJZSKO-UHFFFAOYSA-N	230.023	-0.229	50	10	BBGE	
OB(O)c1cncnc1N1CCC12CCC2	1981414882	XGPRFYARXNTFIH-UHFFFAOYSA-N	219.053	-0.711	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ccncc2B(O)O)C1	1981427478	VATLELSKTFWRGC-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
C[C@H](N(C)C(=O)C(=O)NN)[C@]1(C)CC1(F)F	1981465376	WBYLQIBHCFCZFP-XNCJUZBTSA-N	235.234	-0.132	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)[C@H]1C[C@H](O)C1	1984461663	GNBLYCRLTLESPJ-LJGSYFOKSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC[C@@H]2O)C1	1984543353	SGXUZDCZNZSUHY-LURJTMIESA-N	235.234	-0.932	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@H]1CF	1985768548	ZNNOQTGNABCDFI-DTWKUNHWSA-N	233.287	-0.329	50	10	BBGE	
C[C@@H](CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	1986731144	ZOVQEQHICKDZIC-AXTSPUMRSA-N	227.308	-0.685	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCNC[C@@H]1CO	1991652863	SJNOBFUDTUZOGT-HTQZYQBOSA-N	246.694	-0.605	50	10	BBGE	
O=C1CN([C@@H]2C[C@]23CCCOC3)CC(=O)O1	1992214660	OFZVTJNUQYHNHO-KCJUWKMLSA-N	225.244	-0.059	50	10	BBGE	
CC1(C)[C@@H](CO)OCCN1CCCC(=O)NN	1997288955	FBMHETKLMJIDAW-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CCC(C)(C)CC(=O)N[C@H](CB(O)O)C(=O)O	1998130536	LATXBRCZEHOLHY-SSDOTTSWSA-N	245.084	-0.145	50	10	BBGE	
Cc1cc(NC(=O)N2CCC2)cc(B(O)O)c1	1998336977	BMSAFICYFGBWQK-UHFFFAOYSA-N	234.064	-0.088	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](O)CC12CC2	2003743274	BNVFIMAGZSGIPD-ZETCQYMHSA-N	249.261	-0.399	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(n2cnnc2)C1	2003860239	LYKKHDGMCSDWAF-VIFPVBQESA-N	238.295	-0.851	50	10	BBGE	
CN(CC1(C)CCC1)c1ncncc1B(O)O	2004918642	NYIZLNZJMYPXQM-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCC[C@H]32)ncc1B(O)O	2004973122	QALIJUKIKFBPKP-WCBMZHEXSA-N	233.080	-0.546	50	10	BBGE	
Cc1nc(N2CCC(F)(F)C2)ccc1B(O)O	2005014923	STZOBLKWZDMYLO-UHFFFAOYSA-N	242.034	-0.085	50	10	BBGE	
CC(C)(CN1CC[C@]2(C1)C[C@@H](O)C2)C(=O)NN	2011297331	LEEAFAHSLFFKQN-WVSHTKLVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCOCC12CCC2	2015689375	ZYWNDUMUFPFMLU-MRVPVSSYSA-N	241.291	-0.701	50	10	BBGE	
COC[C@@H]1C[C@@H]1COc1cncc(B(O)O)c1	2015867875	BUGVKFMPUXFLIV-DTWKUNHWSA-N	237.064	-0.577	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@H]21	2022196647	PEXPLPCWTGLZFZ-MWLCHTKSSA-N	231.060	-0.399	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1ccnc1C#N	2050241412	IOXZYNRDUPZUDR-UHFFFAOYSA-N	245.246	-0.860	50	10	BBGE	
COc1cccc(Oc2ncncc2B(O)O)c1	2052494168	IUFOEJQDUQDLCX-UHFFFAOYSA-N	246.031	-0.043	50	10	BBGE	
CCN1CC(CN(C)c2ccncc2B(O)O)C1	2052495311	ZCUXLBOOKDVPAH-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2[C@H]3CCC[C@H]32)c1B(O)O	2052555793	FKAFESYRXVTHNW-JZYVYDRUSA-N	247.107	-0.300	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H]2CC[C@H]1C2	2058154131	CODCBQNZRLLNRD-GARJFASQSA-N	247.103	-0.036	50	10	BBGE	
CCc1cc(B(O)O)c([N+](=O)[O-])cc1OC	2060073382	PVBKUOJEQPHQQW-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCc1ccc(C=O)c(B(O)O)c1C#N	2060237378	KKSFFWAXGGBELJ-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC1[C@@H]2COC[C@@H]12	2068638984	HUSDHGIUFUTDGC-GHMZBOCLSA-N	248.087	-0.054	50	10	BBGE	
Cc1nc(NC(=O)[C@H](C)C2CC2)ncc1B(O)O	2069484811	MJIILUJDVDTDAU-ZCFIWIBFSA-N	249.079	-0.551	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32	2086993797	IDVDRHLFYBUCNF-IPMGHLJVSA-N	244.059	-0.955	50	10	BBGE	
OCC(CO)NC[C@H]1C[C@H]1Br	2208434122	CMBJIUOOHOUCTO-IYSWYEEDSA-N	224.098	-0.287	50	10	BBGE	
NNC(=O)C(=O)NC[C@H](F)C1CCC1	2209845215	DUAVKWTWBRLANU-LURJTMIESA-N	203.217	-0.769	50	10	BBGE	
Cc1cc(OCC2(F)CC2)ncc1B(O)O	2211062172	PETSVTQXKPVXGB-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
CCN(CCOC)C[C@H]1CC[C@H]1C(=O)NN	2211828205	VINXZTGZPFXZGI-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC[C@H]1CO	2211839493	VKHKSMHQLFUCMP-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@H]3C[C@@H]32)CCC1	2212261215	HDZLCHKHBRIHHP-IUCAKERBSA-N	225.292	-0.380	50	10	BBGE	
CNCC[C@H](C)Oc1ncccc1B(O)O	2212601954	WLABJCOXNJDIMH-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
CCC[C@@H](N)CNc1ccc(B(O)O)cn1	2212605166	YWOWNMYKXQRQTI-SECBINFHSA-N	223.085	-0.699	50	10	BBGE	
OB(O)c1cnc(NCc2ccns2)nc1	2212610495	JSFQTAUWQXJINK-UHFFFAOYSA-N	236.065	-0.775	50	10	BBGE	
CCC[C@H](O)CNc1ccc(B(O)O)cn1	2212612006	GTDFTIPNZGYLQA-VIFPVBQESA-N	224.069	-0.666	50	10	BBGE	
C#CCN(CCF)Cc1cccc(B(O)O)c1	2214594328	FQFUUJILBOLYJF-UHFFFAOYSA-N	235.067	-0.229	50	10	BBGE	
NC[C@@H](Oc1ncccc1B(O)O)C(F)(F)F	2217166409	MYDGCLUDFURPAX-ZCFIWIBFSA-N	249.985	-0.970	50	10	BBGE	
CC1(C)C[C@@H](Nc2cc(B(O)O)ccn2)CN1	2217175206	FYHXVQMBGKRCGH-SECBINFHSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@]23CC3(F)F)nc1	2217178747	ZGZYQWFTSGGDJU-IONNQARKSA-N	240.018	-0.029	50	10	BBGE	
CC(C)C(F)(F)CNc1ncc(B(O)O)cn1	2217183878	OWTTYPZQGFMJHO-UHFFFAOYSA-N	245.038	-0.140	50	10	BBGE	
C#C[C@@H](Oc1nccc(B(O)O)c1F)C(C)C	2217196403	RTHGNOMMYFZKTA-SECBINFHSA-N	237.039	-0.063	50	10	BBGE	
OB(O)c1ccc(N2Cc3conc3C2)nc1	2217197819	RMZODVDFLUSYEK-UHFFFAOYSA-N	231.020	-0.730	50	10	BBGE	
C=CC[C@@H]1CCN(c2ncc(B(O)O)cn2)C1	2217198173	XQPDUTCEHUVEOW-SECBINFHSA-N	233.080	-0.441	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCNC1	2217198402	ALUFQEADLSROKL-NSHDSACASA-N	235.096	-0.827	50	10	BBGE	
OB(O)c1cnc(=NCCC2CC(F)C2)[nH]c1	2217201748	RHUSEQNXTKQBCJ-UHFFFAOYSA-N	239.059	-0.872	50	10	BBGE	
Cc1cnc(-n2ccc([N+](=O)[O-])n2)cc1B(O)O	2223615160	XTHBPWYDKIWAIC-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
Cc1cnc(N[C@H]2[C@H]3COCC[C@H]32)cc1B(O)O	2223641889	DVFMPJSMMTUOAO-VDDIYKPWSA-N	248.091	-0.483	50	10	BBGE	
Cc1cnc(N2CCC[C@](C)(N)C2)cc1B(O)O	2223649816	DLPYQWHEAITWMD-LBPRGKRZSA-N	249.123	-0.613	50	10	BBGE	
NCc1cccc(Oc2ncc(B(O)O)cn2)c1	2223656907	SWFYCSAEEZJHSA-UHFFFAOYSA-N	245.047	-0.593	50	10	BBGE	
OB(O)c1ccc(=NCCCc2cnoc2)[nH]c1	2223667496	QFKOWXXVXIBCPV-UHFFFAOYSA-N	247.063	-0.784	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCN1C1CC1	2223670891	FADCSAFFTIPBPC-JTQLQIEISA-N	247.107	-0.590	50	10	BBGE	
N[C@]12CCC[C@@H]1CN(c1ncccc1B(O)O)C2	2223671738	ASPIZHRLJYHYFX-SKDRFNHKSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CNC[C@H]1C2	2223673988	MQLKFCUKJZHVSA-IQJOONFLSA-N	247.107	-0.829	50	10	BBGE	
CC1(C)[C@H](CN)C[C@H]1Nc1cc(B(O)O)ccn1	2223679744	UCXWZVAUWDQNIY-WCBMZHEXSA-N	249.123	-0.453	50	10	BBGE	
CC(C)SCCNC(=O)C#CB(O)O	2241468518	PUOJTKQACATEOX-UHFFFAOYSA-N	215.083	-0.740	50	10	BBGE	
CCCN(OC)C(=O)[C@H]1C[C@H]1B(O)O	2241495048	GGZJUERERMEVMP-NKWVEPMBSA-N	201.031	-0.351	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2CCCC[C@H]21	2243356728	MEAUNGRKZIEQHS-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
C[C@H]1[C@H](NC(=O)C2(B(O)O)CC2)CCN1C	2243365391	LYEQIOINWFEJRA-JGVFFNPUSA-N	226.085	-0.798	50	10	BBGE	
CC(C)(F)CNC(=O)c1cc(B(O)O)sn1	2243377656	DPTRKURNNQMELC-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
COC(=O)CCN(C)C(=O)C1(B(O)O)CC1	2243411338	RPSGRMKSKKBYSQ-UHFFFAOYSA-N	229.041	-0.985	50	10	BBGE	
CCOCC(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2243425646	AKUFSNCFYDGQBN-YUMQZZPRSA-N	229.085	-0.219	50	10	BBGE	
O=C(NCC1=CCCOC1)[C@@H]1C[C@@H]1B(O)O	2243425896	CKJDMFUICAAPKB-BDAKNGLRSA-N	225.053	-0.688	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2C=C[C@H]1C2	2243669423	VOXSLEKJQNKFGO-LPEHRKFASA-N	219.049	-0.670	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)CC1COC1	2243989543	VUQMWPBBNQKPLJ-UHFFFAOYSA-N	237.250	-0.420	50	10	BBGE	
Cc1ccn(-c2cc(B(O)O)c(Cl)cn2)n1	2245908874	YRDCENSSQAQQPC-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
C=CCC1(O)CN(C(=O)C2(B(O)O)CCC2)C1	2247732817	JSOGRVMQMOBSAV-UHFFFAOYSA-N	239.080	-0.467	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]1C1CCOCC1	2247736992	AXCLLUCKGUMBOD-SNVBAGLBSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@@H]2CCCCC[C@H]21	2247747406	NBRSPPRBELTOJW-RKDXNWHRSA-N	235.048	-0.681	50	10	BBGE	
O=C(c1occc1B(O)O)N1O[C@H]2CC[C@H]1C2	2247749793	ZQLYZYFSCZWYHJ-BQBZGAKWSA-N	237.020	-0.732	50	10	BBGE	
CON(C(=O)C1(B(O)O)CC1)C1CCNCC1	2247753783	CMQDUZSWFRKIKT-UHFFFAOYSA-N	242.084	-0.865	50	10	BBGE	
CNCCC[C@@H](C)NC(=O)C1(B(O)O)CCC1	2247754835	FYUGDPXVMHCIEP-SECBINFHSA-N	242.128	-0.112	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1	2247760682	LTXKSGOTQYLSRS-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2247789771	BEBAIHSJKPTKRW-ZYUZMQFOSA-N	239.080	-0.610	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2247790102	FQNBPFGDZLZLCY-AMDVSUOASA-N	241.096	-0.389	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCNC1	2247797109	GFQSBLQCURUZPE-YWVKMMECSA-N	240.112	-0.645	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CO)C1CC(B(O)O)C1	2247798779	XCXVWWRMDVSERL-WOOKNIGNSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@H]1CNC2	2247806406	MWWHOGOFNUGRKM-AATLWQCWSA-N	238.096	-0.798	50	10	BBGE	
CN(C)CCCCN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247807988	JOVOGZSTMNUBIN-NXEZZACHSA-N	242.128	-0.351	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2n[nH]cc2C1	2247808062	JVPSLRALMOPHLO-YUMQZZPRSA-N	235.052	-0.843	50	10	BBGE	
CON(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCOC1	2247808063	SRIDAMKCJHGQPM-IWSPIJDZSA-N	243.068	-0.582	50	10	BBGE	
CN(C1CC1)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808261	UFYKBTRKOAUHDI-ZJUUUORDSA-N	238.096	-0.846	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@@H](C1)C2	2247850656	REWDKPGJCJODGW-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
CC(C)[C@@H](CCNC(=O)C#CB(O)O)N(C)C	2247851567	GQWKANUMDZMELR-SNVBAGLBSA-N	240.112	-0.906	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)CC12CC2	2247854873	JRXWNKPBNKHIRV-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
Cc1ncc(CNC(=O)C2(B(O)O)CCC2)o1	2247856624	LGIHCEDGZJLPAP-UHFFFAOYSA-N	238.052	-0.004	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CCC2)CO1	2247857614	WDTOXEIMELNJSH-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1cc(B(O)O)oc1C	2247868456	UMXUMVAIIMDNIJ-MRVPVSSYSA-N	237.064	-0.108	50	10	BBGE	
O=C(N[C@@]12COC[C@@H]1C2(F)F)C1(B(O)O)CC1	2247871721	GWJQMIKOPYXBGL-XNCJUZBTSA-N	247.006	-0.856	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1ncc[nH]1	2247887351	NCCHKMGNYQANTB-BWZBUEFSSA-N	237.068	-0.160	50	10	BBGE	
CN1CCC[C@@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247898711	HDLUNGYLYUGMAQ-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911278	VAJMYJDFSCEOHA-AEJSXWLSSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cocc2B(O)O)C[C@@H]1F	2249410482	NKTRAIPNMAISGS-MUWHJKNJSA-N	241.027	-0.611	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1cc(B(O)O)co1	2249420308	RXYHLCOMXNCCEE-WRXNHJIOSA-N	241.027	-0.563	50	10	BBGE	
CC1(C(=O)NCCC#CB(O)O)CCOCC1	2250009477	YVNYVISPYHQMBF-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
CN(C)CCCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2250846330	KVFIAISRAYGWMU-UWVGGRQHSA-N	242.128	-0.303	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1ccoc1B(O)O	2255464295	UOWZNKGWKMLHNW-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1ncccc1B(O)O	2255515747	BUVUZMDHKWLFRS-VIFPVBQESA-N	246.075	-0.566	50	10	BBGE	
O=C(NC[C@@H]1CC=CCC1)c1c[nH]nc1B(O)O	2255548052	KEZMRRQZTAXYKY-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ncncc1B(O)O	2255730626	QBJQXDPBBMNTGP-NSHDSACASA-N	249.079	-0.925	50	10	BBGE	
CCCC=CCNC(=O)c1cncc(B(O)O)c1	2255734856	IPOVMWJVQGLXMZ-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ncc(B(O)O)cn2)[C@@H]1C	2255781348	MESZTPYPOOIGAE-JGVFFNPUSA-N	249.079	-0.973	50	10	BBGE	
Cc1cc(C(=O)NC2(C#N)CCC2)oc1B(O)O	2255785760	PEFBJNAHSQFFAV-UHFFFAOYSA-N	248.047	-0.556	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1cc(B(O)O)co1	2258131828	ZMKNHHLPKVPMOV-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)[C@@H]1C[C@H]1B(O)O	2298376151	KHXHZZKEPQSZGQ-RXKWGBCNSA-N	238.096	-0.894	50	10	BBGE	
CN(C[C@H]1COC2(C)CC1C2)C(=O)C(=O)NN	2300459775	QCECASKKOWJRFR-KAIZJQOQSA-N	241.291	-0.750	50	10	BBGE	
CC12CC(C1)[C@@H](C(=O)NCC=CB(O)O)CO2	2300485428	AXRHLYFGHRHGRJ-YUCVTWSNSA-N	239.080	-0.514	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H](C)N1CCOCC1	2300921760	SILRDRWEPLTVKT-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CC1(C(=O)N2CC[C@H](B(O)O)C2)CCOCC1	2303100776	BTDLVBBFDHYDHK-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CC[C@](C)(CN1CC(NC(C)=O)C1)C(=O)NN	2303425495	CTEIUXZMXJVDKW-LLVKDONJSA-N	242.323	-0.787	50	10	BBGE	
CC[C@](C)(CN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	2303435957	ZGANFFVXXXBFED-PTZCXBDSSA-N	239.275	-0.603	50	10	BBGE	
Cc1nn([C@@H]2COC(C)(C)C2)c(C)c1B(O)O	2307806254	MCPRMLRYSVSVKY-VIFPVBQESA-N	238.096	-0.080	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)C[C@@H]2NCC[C@@H]21	2312613087	AFNFKCRNPDWCSH-PTOFAABTSA-N	248.091	-0.719	50	10	BBGE	
OC[C@@]12CC[C@@H](C1)N(c1ccc(B(O)O)cn1)C2	2314903532	NXYYLRNGKHXRKO-JQWIXIFHSA-N	248.091	-0.887	50	10	BBGE	
N#CC1(F)CN(c2ccc(C=O)c(B(O)O)c2)C1	2317320299	UVUPGGRCDKEJCF-UHFFFAOYSA-N	248.022	-0.769	50	10	BBGE	
O=C/C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1	34943948	YQDKULBMDMPFLH-ABVWVHJUSA-N	211.173	-0.473	50	10	BBGE	endogenous,in-man
CNC[C@H]1CCCN(CC(=O)NNC(C)=O)C1	40600793	BDJOZTPJVMFNKZ-SNVBAGLBSA-N	242.323	-0.915	50	10	BBGE	
C[C@H]1CN(C(=O)CCC(=O)NN)C[C@H](C)O1	58854043	DAQGYWYVYXBGGT-YUMQZZPRSA-N	229.280	-0.608	50	10	BBGE	
COCCN(CCOC)[C@H](C)[C@H](C)C(=O)NN	93072185	AMGMEKOEWJKBLT-VHSXEESVSA-N	247.339	-0.404	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccc(=O)cc2)nc1	94764158	GMIXHUFEKZCGDS-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCCc1nnn[nH]1	95194825	VWOKLKPUOACUAE-RXMQYKEDSA-N	217.660	-0.124	50	10	BBGE	
CC(=O)NNC(=O)CN1C=CSCC1=O	96540245	IWTSTTSIJPKFNA-UHFFFAOYSA-N	229.261	-0.800	50	10	BBGE	
N#Cc1ncn(Cc2cc(C(=O)NN)co2)n1	110603427	LGNJGJJNTNHIEG-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@]1(C)CCCO1	131030157	VGUQUKXDXODJBP-SNVBAGLBSA-N	229.280	-0.736	50	10	BBGE	
O=C(NCB(O)O)c1ccccc1[N+](=O)[O-]	170162102	JVDXOQKTWCZCLC-UHFFFAOYSA-N	223.981	-0.663	50	10	BBGE	
CN1CCN(C(=O)C(=O)NCCCl)CC1	170359551	HUSZTBBCKFBCGC-UHFFFAOYSA-N	233.699	-0.885	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](COC)C1	227100819	DUNQJKHREYXHCL-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
NC(=S)NNC(=O)COCC(F)(F)F	232352260	HHYSAVPHMYSZRN-UHFFFAOYSA-N	231.199	-0.570	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCNC1	234356655	NTXRJASARQOKEA-JTQLQIEISA-N	242.323	-0.915	50	10	BBGE	
COC[C@H](Cl)CNCc1nnn(C)n1	234870683	ZJCAELLQUWPUHY-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
CO[C@H]1CCN(Cc2cc(C(=O)NN)no2)C1	234885877	AOAGGXLHDWIKFA-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1	238560436	ULVUDJCWEDSHFE-UHFFFAOYSA-N	233.224	-0.923	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1C(N)=O	251230482	QDUXGNMDGLNQQZ-SFYZADRCSA-N	228.296	-0.905	50	10	BBGE	
OB(O)c1c([C@@H]2CCCN2)ccc2c1OCO2	258077405	CCVAFUIDOYLFFZ-QMMMGPOBSA-N	235.048	-0.480	50	10	BBGE	
O=C(CCl)NCC(=O)NC[C@@H]1CCCO1	259051520	VVKYRXROSVTGLH-ZETCQYMHSA-N	234.683	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](O)CC1	307377260	WOTAHNQVYLHKAH-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
OB(O)c1cc(Br)cc(O)c1F	307441734	SFVRPJDQXIWQGO-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
COC[C@H](C)CN(C)[C@@H](C)C(=O)NN	308493995	CNQYDQXTPJKUPM-SFYZADRCSA-N	203.286	-0.421	50	10	BBGE	
CCCN1Cc2cc(B(O)O)ccc2C1=O	309339737	DUBLDYJAMRRSDP-UHFFFAOYSA-N	219.049	-0.268	50	10	BBGE	
O=C(O)c1cnc(B(O)O)cc1C(F)(F)F	309365149	NXZVFFPEYWWMIH-UHFFFAOYSA-N	234.926	-0.522	50	10	BBGE	
N[C@@]1(C(=O)O)CC[C@@H](CCB(O)O)C1	379511793	SMLPIZSADMHXPG-XPUUQOCRSA-N	201.031	-0.569	50	10	BBGE	
NNC(=O)C(=O)Nc1ccc2c(c1)CCCO2	383624734	ABWDTMPQXVJHMH-UHFFFAOYSA-N	235.243	-0.060	50	10	BBGE	
CC(=NNC(=O)c1c[nH][nH]c1=N)N(C)C	383956855	BRYVUWJFCANYGP-UHFFFAOYSA-N	210.241	-0.553	50	10	BBGE	
COCCCN(C)Cc1nc(C(=O)NN)co1	387043779	VANDNLSREDPSHN-UHFFFAOYSA-N	242.279	-0.254	50	10	BBGE	
C[C@@H](O)[C@@H](CO)NC(=O)CCBr	387612487	ZDAGOOXEZYVYCU-PHDIDXHHSA-N	240.097	-0.371	50	10	BBGE	
CCCCNC(=O)NNS(C)(=O)=O	388322894	YASSJKXDFCKTET-UHFFFAOYSA-N	209.271	-0.450	50	10	BBGE	
C[C@H](CNC(=O)CBr)c1nn[nH]n1	392619102	DOOBZIJHYFZGBI-SCSAIBSYSA-N	248.084	-0.186	50	10	BBGE	
OCc1c(O)c(B(O)O)cc2sccc12	396347011	RHYLBMWXTPHXHD-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCC(=O)NCc1cc(B(O)O)cs1	404934490	GUJCNPKIUJSESB-UHFFFAOYSA-N	213.067	-0.546	50	10	BBGE	
CCNC(=O)NCc1cc(B(O)O)ccc1F	405060150	CBYAHSDUBZRRSC-UHFFFAOYSA-N	240.043	-0.675	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C[C@H](O)C[C@H]2C1	405554482	AHSCPHSTFDZGKE-XHNCKOQMSA-N	232.711	-0.109	50	10	BBGE	
NNC(=O)C1=C(Br)C#SN1	642856590	DGOGOXRPUIDWBF-UHFFFAOYSA-N	222.067	-0.207	50	10	BBGE	
COC(C)(C)CCn1ccc(B(O)O)n1	694231085	ZBAIYLGINYDMQC-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
COC1CC(COc2cncc(B(O)O)c2)C1	704200190	UGXLTUMNHYQOMT-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
CC(=O)NNC(=O)CN1Cc2ccccc2CN1	706389183	SVLXZOVKFMGDHR-UHFFFAOYSA-N	248.286	-0.326	50	10	BBGE	
O=S(=O)(CCl)N1CC(n2cncn2)C1	707253342	ORTLJODKDNJTGF-UHFFFAOYSA-N	236.684	-0.339	50	10	BBGE	
CN(Cc1ncnn1C)C[C@H](O)CCl	707671842	OVAVAHMZMZFVHO-SSDOTTSWSA-N	218.688	-0.153	50	10	BBGE	
CC(C)[C@H]1NC2=C(C#N)N(C)NC2=NC1=O	709933245	AZRKMVOCUURJOU-SSDOTTSWSA-N	219.248	-0.276	50	10	BBGE	
CCC[C@]1(O)CCCN(CCC(=O)NN)C1	710192514	APHLDAJJYPKQBB-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
CC[S@](=O)N1CCc2c(B(O)O)cccc21	712216302	DTNJEKUUUUVAAH-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
CCOC(=O)C(C#N)=C1CS(=O)(=O)C1	725662211	LAKFDEYPFGVELL-UHFFFAOYSA-N	215.230	-0.202	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	780469568	BLTWYZRAVNCKHS-SFGNSQDASA-N	241.291	-0.880	50	10	BBGE	
NNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F	852773419	YPXCMTZDSSHVEH-WDSKDSINSA-N	242.197	-0.040	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCNC(=O)C1	862502577	OOMUJBYCYBVWJK-SECBINFHSA-N	248.286	-0.219	50	10	BBGE	
CC(=O)NNC(=O)/C=C/COC1CCOCC1	1118920699	SSOHHYCZQUQQKH-NSCUHMNNSA-N	242.275	-0.095	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2ccnnc2)CCC1	1142447319	NQTYWSWAMPGDDB-UHFFFAOYSA-N	245.242	-0.069	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)cc1	1146477443	GHLHREUZIUHICS-UHFFFAOYSA-N	217.033	-0.881	50	10	BBGE	
N#CCC(=O)NNC(=N)c1ccccn1	1614950988	XVTHCQQJMNROGR-UHFFFAOYSA-N	203.205	-0.059	50	10	BBGE	
Cc1nnccc1C(=O)NN(C)C(N)=O	1630878410	RACWTVQBRRIGCY-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)c2cc[nH]n2)nn1	1648652152	POEUFQDEKLTLTP-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
O=C(CO)NNC(=O)c1cnc2ccccc2c1	1650909799	PGCYFAHDLZCMIW-UHFFFAOYSA-N	245.238	-0.012	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](C(=O)NN)C1COC1	1880023370	KUKVDOBNARNEQP-ZETCQYMHSA-N	245.279	-0.484	50	10	BBGE	
CSC[C@]12C[C@](C(=O)NN)(CO1)C2	1884037791	RYYOYCOGLMPZQF-ZKCHVHJHSA-N	202.279	-0.112	50	10	BBGE	
CCN(CCC(F)(F)C(=O)NN)OC	1885135760	UDWGKDVNJXCKKJ-UHFFFAOYSA-N	211.212	-0.115	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@@H]1CCCO1	1888053880	BCPRMXQFDJLVMW-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
COC(=O)c1csc(C)c1B(O)O	1892456428	KWUBYCTWNKULAR-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
CN(Cc1cnco1)C[C@@H]1C[C@H]1C(=O)NN	1894485513	IWECULHFANDKIN-IONNQARKSA-N	224.264	-0.268	50	10	BBGE	
CC[C@]12C[C@H]1CN([C@H](COC)C(=O)NN)C2	1894910025	LXRFGNBLUFLJBD-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
NC(=O)[C@@H]1CN(CC=CCCl)C[C@H]1C(N)=O	1895611459	PQRDKUISHABDPT-HTQZYQBOSA-N	245.710	-0.700	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2[C@@H]1C[C@H]2O	1895649657	IVXQNOUCLPBPQW-LYFYHCNISA-N	235.234	-0.933	50	10	BBGE	
C=C(CN1CC[C@H]2CCN(C)[C@H]2C1)B(O)O	1897284396	ULIMPNCESJXROG-MNOVXSKESA-N	224.113	-0.419	50	10	BBGE	
CN(C)S(=O)(=O)N1CC[C@H](N=C=O)[C@@H]2C[C@@H]21	1902998268	UFPBQSSARYWHMW-CIUDSAMLSA-N	245.304	-0.409	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](O)C12CCC2	1914395348	BUQDUPMARCFSKN-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCCn2cncn2)C1	1928755941	QBKVNCGRIPIKDV-IUCAKERBSA-N	229.715	-0.211	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1O	1931258582	CMKRMRKALVVFOD-SFYZADRCSA-N	213.281	-0.931	50	10	BBGE	
OB(O)c1cc(F)cc(CN2CCCO2)c1	1937138383	AWOJLAQWRNCUNX-UHFFFAOYSA-N	225.028	-0.357	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C(C)(C)CCO	1938234576	XMWWAFXEKFYARQ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
O=C(C[C@H]1CN2CCC1CC2)NNCCO	1938340403	CRFGFMHIWSUYQB-JTQLQIEISA-N	227.308	-0.669	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@H]1C[C@H]1C(=O)NN	1941089243	UYMVRWOJQWITEO-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1COCC[C@@H]1C	1947204027	QPPMNGPTOXOQGV-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1CCCl	1954822678	SMHVPKDMPNPDDW-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CC(C)CC(=O)N[C@@H](CB(O)O)C(=O)O	1958868873	FVRMOSIXSVHKPC-LURJTMIESA-N	217.030	-0.925	50	10	BBGE	
NNC(=O)CN1CCCc2ccncc21	1961457969	VIZCQDUSPFKOKK-UHFFFAOYSA-N	206.249	-0.176	50	10	BBGE	
CCN(C)[C@H]1CCCN(CC(=O)NN)C1	1961463259	QPDHKVHSYDGTDK-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC1(C)C	1961520273	NESQSLHBFNBCEV-SFYZADRCSA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1cnccc1N1CC2CC1C2	1961690637	KBGKFOARUCVFJB-UHFFFAOYSA-N	204.038	-0.640	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12	1961815206	LBFNSIGNJOWCRH-FHNUBNKASA-N	209.293	-0.047	50	10	BBGE	
CCCc1nc(CNC(=O)C(=O)NN)co1	1976780112	PALLHQMWPGKGCD-UHFFFAOYSA-N	226.236	-0.767	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)OC1CCC1	1976979032	HCJSQBWWDSHTDU-LURJTMIESA-N	231.013	-0.809	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(=O)N[C@H]2CC[C@H]21	1980222191	DGIVGVGGBYQMDG-NTSWFWBYSA-N	245.666	-0.576	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CCCF	1981469290	PYSKEHAVBDNMAJ-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
C=C1CON(c2ncc(Cl)cc2B(O)O)C1	1981470675	CVQCMHWXGLHWOH-UHFFFAOYSA-N	240.455	-0.277	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)[C@@H]1CCOC1	1981470977	FTVUEOCKLZTABX-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H](CN(CCOCCCl)C2)[C@H]1O	1985763277	TZQRPLBSQIFRRP-XWLWVQCSSA-N	249.738	-0.085	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]1CF	1986085526	XFWPXAVZFAEKDB-VIFPVBQESA-N	224.044	-0.382	50	10	BBGE	
C=CCC(C)(C)Oc1ncc(B(O)O)cn1	1987416317	VVAZMZPEFGWDSJ-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
CC[C@]1(F)CCN(CC(=O)NNC(C)=O)C1	1990777016	SIQCEPVPECFHPM-JTQLQIEISA-N	231.271	-0.022	50	10	BBGE	
CN(C)CCC(=O)N[C@@H]1CCC=C1B(O)O	1991326114	CXDSTJGRFOYOOF-SECBINFHSA-N	226.085	-0.845	50	10	BBGE	
NC(=O)N1CCN(C(=O)/C=C/C(=O)Cl)CC1	1991705808	JGISIIGMBMPWKH-OWOJBTEDSA-N	245.666	-0.469	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C1CCC1)C(F)(F)F	1992067037	FCLHYAAUDLHDDU-RXMQYKEDSA-N	239.197	-0.177	50	10	BBGE	
C=C(CN(C)CC(C)(C)S(C)(=O)=O)B(O)O	1992153969	ULCZSDRVUULLJT-UHFFFAOYSA-N	249.141	-0.690	50	10	BBGE	
C[C@@H](C(=O)N[C@H](CB(O)O)C(=O)O)C(C)(C)C	1998135847	UGOVVRMITUCYTL-NKWVEPMBSA-N	245.084	-0.289	50	10	BBGE	
CC(C)(CN1C[C@@H](O)C2(CCC2)C1)C(=O)NN	2000815579	WAOVOCOKOTVNLC-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2OCC[C@H]2C1=O	2004648728	DDUJKKHSKRBFFG-RKDXNWHRSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)c1ccc(B(O)O)cn1	2004911269	FBBODNFVBIIHGM-PSASIEDQSA-N	236.080	-0.768	50	10	BBGE	
CCC1(CC)CCN1c1ncncc1B(O)O	2004918746	PGECNBFDYGBYNS-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
COC1(C)CN(c2ncc(C)cc2B(O)O)C1	2005014011	FIXGJBMKHRHZMP-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CCC(F)F)n1	2005015600	CKFOQGSIORZXGK-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
N#Cc1ncn(C[C@@H]2CC[C@H](C(=O)NN)C2)n1	2010832919	MLDZBGRONYSMKJ-SFYZADRCSA-N	234.263	-0.444	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@]2(C1)C[C@@H](O)C2	2011293627	QPICLGHANAZEBI-SVDPJWKOSA-N	239.319	-0.541	50	10	BBGE	
COC1CN(CC(=O)NNc2ccccn2)C1	2019307922	SULXKFZTWQIJFF-UHFFFAOYSA-N	236.275	-0.145	50	10	BBGE	
COCCN([C@@H]1CCCOC1)[C@H](C)C(=O)NN	2020540533	FDULWUJFVVFGGD-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	2021157270	KAHUPBAMDZOKSW-XKNYDFJKSA-N	233.076	-0.590	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)cc2)C1	2022196621	OVHNREWUKOJJOE-UHFFFAOYSA-N	231.060	-0.232	50	10	BBGE	
C[C@H]1C[C@H]1COCCn1cc(C(=O)NN)nn1	2022579859	QEVHNGUBROXVNW-YUMQZZPRSA-N	239.279	-0.446	50	10	BBGE	
N#Cc1ncn(Cc2cncc(C(=O)NN)c2)n1	2027474814	MQNDFUTVRFVCEV-UHFFFAOYSA-N	243.230	-0.803	50	10	BBGE	
O=C(NNCCO)c1cc(=O)c2ccccc2[nH]1	2031847870	MWLFMAUFBDTUCK-UHFFFAOYSA-N	247.254	-0.245	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC[C@H]2C[C@@H]21	2040234971	GFODFMMWYQMCEI-YIZRAAEISA-N	246.075	-0.254	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1CC2(CC2)C1	2040765433	QLRZGTAYXYJPNJ-UHFFFAOYSA-N	247.063	-0.715	50	10	BBGE	
CN(C(=O)Nc1ccc(B(O)O)cn1)C1CCC1	2040766955	KZIXIOBXLFDRSB-UHFFFAOYSA-N	249.079	-0.222	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H](C)N1C	2052490855	GWMDXASLGNNPLO-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
CCc1cc(OC)c(B(O)O)cc1C=O	2060166797	ADRGGLKNZLWAIW-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1c(C#N)ccc([N+](=O)[O-])c1B(O)O	2060211885	JHUYMMAIRMBJCG-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cc1nc(N2C[C@@H]3COCC[C@@H]32)ccc1B(O)O	2073043737	RAGOVPKATBNASC-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
CN1CC(N(C)CC(=O)NNc2ccccn2)C1	2075113222	XOMXISYSPALDSJ-UHFFFAOYSA-N	249.318	-0.230	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2079519339	NLWUVNDBSIYIJO-DTWKUNHWSA-N	249.079	-0.613	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC23CC3)[nH]c1	2212614153	ASVADSBTORMKEX-MRVPVSSYSA-N	218.065	-0.605	50	10	BBGE	
N[C@H]1CC[C@H](COc2ccc(B(O)O)cn2)C1	2217167313	MZZLFHVWJXZABZ-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
CC1(CO)CC(Nc2cc(B(O)O)ccn2)C1	2217172463	KEKXNEOAUMKHNU-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C(F)(F)C23CC3)nc1	2217180271	GHWWEPHMQBDCNJ-MRVPVSSYSA-N	240.018	-0.029	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CC[C@@H]3C2)c1F	2217181212	NVMRYKJDYNWFRS-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1Nc1ncc(B(O)O)cn1	2217181677	SWCSHIPKWBCLLB-IMTBSYHQSA-N	243.022	-0.388	50	10	BBGE	
CNC[C@@H](C)N(C)c1cc(B(O)O)c(C)cn1	2217182345	CLDSJRKXUQCITC-SECBINFHSA-N	237.112	-0.886	50	10	BBGE	
C[C@@H](CCN(C)C)Nc1ccc(B(O)O)cn1	2217182612	BOSBSLGQQYHSSF-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
C=C[C@]1(Oc2ccc(B(O)O)cn2)CCNC1	2217188212	LBIOOFJSZWLPSP-NSHDSACASA-N	234.064	-0.942	50	10	BBGE	
OCC[C@H](Nc1cc(B(O)O)ccn1)C(F)F	2217200573	UCYZCFYHLKPSKW-ZETCQYMHSA-N	246.022	-0.811	50	10	BBGE	
C[C@]1(Nc2ncccc2B(O)O)CCC[C@@H]1O	2217205405	YKHZQOSPDLALLN-ONGXEEELSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1	2223661607	GIXPFUBWGLXUIJ-DOFRTFSJSA-N	248.091	-0.862	50	10	BBGE	
CC1(C)CC[C@@H](Nc2cc(B(O)O)ccn2)CN1	2223669335	IPMMCZJPBRALMJ-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
O=C(NO)c1ccc(Cl)cc1B(O)O	2241585074	XXCUOGCJROYAMU-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
O=C(NCC1CSC1)c1ccoc1B(O)O	2243357496	XMMPHZRPMCFVMK-UHFFFAOYSA-N	241.077	-0.948	50	10	BBGE	
CCON(CC)C(=O)c1ccsc1B(O)O	2243358412	GSRNGNXSBKOEJP-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
CC[C@H](O)CCCNC(=O)C1(B(O)O)CC1	2243365999	VYSXCSCZLGIBFY-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(COC2)C1	2243381690	IJXGZKQXMXVSTC-ZKCHVHJHSA-N	225.053	-0.902	50	10	BBGE	
C#CCONC(=O)c1scc(B(O)O)c1C	2243383169	VEQAVMKGILDBLK-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@H]1C[C@H](O)C1	2243397322	YXVDMLHGXAEWQC-AJKDEPMXSA-N	227.069	-0.779	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C#CB(O)O)CCO1	2243400128	WGAPDYGAFVZHAL-MRVPVSSYSA-N	225.053	-0.924	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)C1(B(O)O)CC1	2243411182	PLUOSGLGZNPHNL-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1C(=O)C1CC(B(O)O)C1	2243413245	CBNOMBUQDOPHEH-MDVIFZSFSA-N	227.069	-0.779	50	10	BBGE	
N[C@@H](CNC(=O)C1CC(B(O)O)C1)C1CC1	2243414301	XWRGMIIKRUXXPM-HACHORDNSA-N	226.085	-0.907	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CC2(F)F)[C@@H]1C[C@@H]1B(O)O	2243425674	ATYIUEUNYYRRSE-FUYZFFOTSA-N	231.007	-0.237	50	10	BBGE	
CC#CC(=O)NCc1ccccc1B(O)O	2243685489	VUGKXOIHEQZSJY-UHFFFAOYSA-N	217.033	-0.994	50	10	BBGE	
C[C@H](CF)N(C)Cc1nsc(C(=O)NN)n1	2244133229	VKNXPGACFVNFND-RXMQYKEDSA-N	247.299	-0.069	50	10	BBGE	
CCc1nsc(CN(C)CCC(=O)NN)n1	2245049229	MPOZOFVLONHDOA-UHFFFAOYSA-N	243.336	-0.088	50	10	BBGE	
O=C(O)C1=C(C(=O)NCB(O)O)CCCC1	2245255625	VNOIXTPNEGGXBK-UHFFFAOYSA-N	227.025	-0.930	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1CCCO1	2246811885	BCFRLSRSWKYUDK-SNVBAGLBSA-N	237.064	-0.372	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247722389	MCCSMZPMEXHTST-SSDOTTSWSA-N	237.064	-0.180	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)C2(B(O)O)CCC2)CCN1C	2247732266	DWPJJBAPBUKFCX-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
Cc1nc(C)c([C@@H](C)NC(=O)C#CB(O)O)[nH]1	2247744879	ZBPLLUHLMKRARW-SSDOTTSWSA-N	235.052	-0.781	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=C[C@H]1CF	2247747204	KJWPVHWMFNABRH-QMMMGPOBSA-N	238.027	-0.955	50	10	BBGE	
C[C@H]1CCN[C@H]1CNC(=O)C1(B(O)O)CCC1	2247753022	AEVYEOWLFQYFQI-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
O=C(N1CCN[C@H]2CC[C@H]21)C1(B(O)O)CCC1	2247756400	LWDCKSZXNBOCOY-DTWKUNHWSA-N	238.096	-0.654	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2247769270	GNRGXTBVUFPFOY-QMMMGPOBSA-N	234.064	-0.614	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)n[nH]1	2247785979	UATSTHKOCOWMLL-KNVOCYPGSA-N	237.068	-0.898	50	10	BBGE	
CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247797635	LQVWZGLLPLNHMD-UTLUCORTSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H](C)N1	2247805642	KMPIJHRAMSXILA-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247807030	GZENEMNNNUQUPY-SGIHWFKDSA-N	241.096	-0.267	50	10	BBGE	
CN(CCn1ccnc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247807138	HJKNOJMNVVCDIJ-BDAKNGLRSA-N	237.068	-0.796	50	10	BBGE	
CCCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247852737	YVNHGNXWMBYVIY-NXEZZACHSA-N	240.112	-0.597	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	2247874100	JAYYNCURMCZPSG-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
NCCC1CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247899165	LAOLOVBSNKBDPH-VHSXEESVSA-N	240.112	-0.563	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2249038351	PEBDJKPFDHFTLO-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
C=CCNC(=O)c1cc(B(O)O)c(F)cc1C	2249385687	NSRRYMHWVIFARW-UHFFFAOYSA-N	237.039	-0.270	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1[C@H]2CCC[C@H]12	2255464093	RHOJOBLSHLQMKY-IUCAKERBSA-N	248.091	-0.435	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1ccoc1B(O)O	2255468835	HLSIFJFGCDUNIK-UHFFFAOYSA-N	249.031	-0.175	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H](CN)c1ccccc1	2255469090	KRRVXSFYLBLYDP-LLVKDONJSA-N	246.075	-0.840	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1occc1B(O)O	2255488620	HIVHJACMJDXYEF-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1C(=O)c1ncccc1B(O)O	2255516721	PHCIVEVUWIFYLP-BDAKNGLRSA-N	248.091	-0.368	50	10	BBGE	
CC#CCNC(=O)c1ccc(OC)cc1B(O)O	2255525413	CWMUTIRKZPBEOW-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
CC1(CNC(=O)c2cc(B(O)O)n[nH]2)CC=CC1	2255546714	IYYMZBYXDSOIMZ-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
O=C(NC12CCC(CC1)C2)c1cc(B(O)O)n[nH]1	2255553351	XXRIOFJNMKECNI-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1C[C@@H]2C[C@H]2C1	2255668884	GFHUHRUXFVDDCQ-YUMQZZPRSA-N	248.091	-0.435	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13	2255670508	YTPWISHFRYKJCG-XPXLGCRWSA-N	249.075	-0.924	50	10	BBGE	
C#CCCOCC(=O)Nc1ccccc1B(O)O	2256671745	XHTHULPETFNIJD-UHFFFAOYSA-N	247.059	-0.655	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1	2298224625	UCMPKLJVIBYPQW-BBBLOLIVSA-N	234.064	-0.507	50	10	BBGE	
C[C@@H]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369083	IIUCIBXMDMLSHJ-REIXXSIJSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)[C@H]1C[C@H]1B(O)O	2298369182	LXQUNPTXSODSLM-OEZYJKACSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1CC12CCOCC2)[C@@H]1C[C@H]1B(O)O	2298374811	NUFGZRULOAANIO-HLTSFMKQSA-N	239.080	-0.465	50	10	BBGE	
CO[C@@H]1CC(O[C@@H](C)CC(=O)NN)C[C@H]1OC	2300920158	CZEDHABSTXCEHV-FXBDTBDDSA-N	246.307	-0.036	50	10	BBGE	
CN(CCc1cccc(O)c1)C(=O)C(=O)NN	2301123612	BVLIEOBFRGMBNA-UHFFFAOYSA-N	237.259	-0.617	50	10	BBGE	
CC=C1CN(c2ccc(C=O)c(B(O)O)c2)C1	2301452639	JXIADMMBPZGSCR-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2302059081	LCYCJQBRDXKJLP-UTLUCORTSA-N	247.314	-0.060	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CC[C@@](C)(B(O)O)C1	2303123637	JOUPFVVWCSUDDL-MWLCHTKSSA-N	240.112	-0.454	50	10	BBGE	
O=C1OCCN1CCCN1CC[C@H](B(O)O)C1	2303124368	QPQLSPIHTZUWJM-VIFPVBQESA-N	242.084	-0.623	50	10	BBGE	
OB(O)c1cc(N[C@@]23COC[C@H]2C3)ncc1F	2303836997	UNSFMAQCLCYXHC-LDWIPMOCSA-N	238.027	-0.899	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H](F)C1	2307205276	UTCINPAXBUKUTQ-KNVOCYPGSA-N	238.027	-0.552	50	10	BBGE	
C[C@H]1C[C@]2(C(=O)Nc3ncccc3B(O)O)C[C@H]12	2308837268	GAKXCUWYOUEGLT-SXMVTHIZSA-N	246.075	-0.254	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(c1cc(B(O)O)ccn1)C2	2317403334	NHQWQWYTWGOKGG-UISBYWKRSA-N	248.091	-0.889	50	10	BBGE	
CN(C)CCNC=C(C#N)C(=O)NCCCl	2325272071	MRWHPPDBILZTIC-UHFFFAOYSA-N	244.726	-0.100	50	10	BBGE	
CCOC(=O)CCN(C)CC(=O)NNC(C)=O	50067662	LAUDHACMXILTNW-UHFFFAOYSA-N	245.279	-0.961	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H](C)SC	66655544	OEMLSMXYKBXGDY-ZCFIWIBFSA-N	220.294	-0.078	50	10	BBGE	
NC(=O)CN1CCC[C@H](Br)C1=O	70060794	DKBVKWMYGFRTSH-YFKPBYRVSA-N	235.081	-0.142	50	10	BBGE	
CCN(CCC(=O)NN)[C@@H](C)COC	82469476	DRXPLMXMXGSMTA-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	82511526	GFSJZKDBJFOESI-RQJHMYQMSA-N	248.710	-0.302	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H]1N=C=O	83919656	NTSBLJODQUMQKE-JGVFFNPUSA-N	229.261	-0.014	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCCN2C[C@@H]1C	94468107	GDZYUBXKQCJUAD-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
CN(CC(N)=O)Cc1ccc(C(=O)NN)cc1	110574604	IYDATUXSBDDJCL-UHFFFAOYSA-N	236.275	-0.793	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2ccnc2C1	110583198	PPNGKMYODUOZDS-VIFPVBQESA-N	237.307	-0.143	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC(CC(N)=O)CC1	110598599	LYDWAESHQGKIFP-VIFPVBQESA-N	242.323	-0.658	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCS(=O)(=O)CC1	132751145	FMXGHPBVAOGWLO-LURJTMIESA-N	241.696	-0.591	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C[C@H](Cl)C#N	139547309	QAHJEHSBRSUCHE-RQJHMYQMSA-N	229.667	-0.146	50	10	BBGE	
N#CC1=C(N2CCOCC2)NC[C@@H]1C#N	196579905	KCXJBXVYVZDGPY-QMMMGPOBSA-N	204.233	-0.203	50	10	BBGE	
OB(O)c1ccc(CN2CCCOCC2)cc1	198929341	AZGRTZNCEMTKIH-UHFFFAOYSA-N	235.092	-0.411	50	10	BBGE	
OB(O)c1cc(F)cc(OCc2ncccn2)c1	211804087	OPCKGESWISGKKO-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(CCl)[C@H]1CNCCN1C(=O)C(F)F	236130453	HQLYYFVCVZKXDX-RXMQYKEDSA-N	240.637	-0.140	50	10	BBGE	
OB(O)c1cc(OC2CCC2)ncc1F	238641840	HLIRVXCROPRDMC-UHFFFAOYSA-N	211.001	-0.168	50	10	BBGE	
COc1ccc([C@@H](N)C(=O)NN)cc1F	258968819	HTKCUKBIGKWBJP-MRVPVSSYSA-N	213.212	-0.176	50	10	BBGE	
C[C@H](CN1CCC(F)(F)C1)C(=O)NN	306237110	LMCLSVXAEAFQTF-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CNC(=S)NNC(=O)NC1CCC1	306379806	OBLOXFBRLWPKFG-UHFFFAOYSA-N	202.283	-0.153	50	10	BBGE	
C[C@@H]1CCC(=O)N1Cc1cc(C(=O)NN)no1	309709399	JEMFMUZCBTWSID-ZCFIWIBFSA-N	238.247	-0.211	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CN(C)CC[C@H]2C1	310553786	XIZFOLHGKUSFOP-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CCSCCO[C@H](COC)C(=O)NN	378657430	CNOGIXMETPEGNL-SSDOTTSWSA-N	222.310	-0.239	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@](C)(CN)C1	390223704	AULCOVSPGKKUSK-ONGXEEELSA-N	228.340	-0.184	50	10	BBGE	
C[S@](=O)C1(CN2CC(=O)OC(=O)C2)CCC1	393807179	XXDGVKIZRGVZOJ-INIZCTEOSA-N	245.300	-0.327	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N(CC#N)CC#N	395597949	TWRUEWJEQZGRTI-QMMMGPOBSA-N	223.280	-0.260	50	10	BBGE	
O=Cc1cc2c(B(O)O)c(CO)ccc2s1	396330602	BNSLSBQTOUWWCV-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H](CSCCC(N)=O)C(=O)NN	399156855	IQAGGZOETXYZJB-YFKPBYRVSA-N	205.283	-0.779	50	10	BBGE	
COC[C@H](C(=O)NN)n1cc(C2CC2)cn1	402073395	PSKKPKIDRYICOO-SECBINFHSA-N	224.264	-0.062	50	10	BBGE	
CC[C@H]1CO[C@H](CC)CN1C(=O)C(=O)NN	403817761	MIFZHEPZTXKPHM-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)[C@H](COC)C(=O)NN)CO1	688489732	WYFRZJKZQDYTGS-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CCN1CCSC[C@H]1CCO	689846833	FTNFPQFNCHRWPT-MRVPVSSYSA-N	233.337	-0.834	50	10	BBGE	
Cc1nn(CCC(C)(C)C(=O)NN)c(=O)n1C	691767274	KBBAIEQWIOVUTR-UHFFFAOYSA-N	241.295	-0.704	50	10	BBGE	
CC[C@@H](C)n1ccc(Cn2cc(B(O)O)cn2)n1	694535687	NZPLETRAMALLQN-SECBINFHSA-N	248.095	-0.221	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(N)=O	700860633	XYAXNPPNWPDESM-BWZBUEFSSA-N	228.296	-0.053	50	10	BBGE	
Cc1cc2ncc(C(=O)NCB(O)O)c(C)n2n1	701961953	ZOGXEWAPADHSDM-UHFFFAOYSA-N	248.051	-0.912	50	10	BBGE	
COC[C@H]1CCCN1[C@H](COC)C(=O)NN	702770384	XZLQOBIXYUCTMY-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@@]1(C#N)CCN(CCCC(=O)NN)C1	703345772	AFFHWPIOKZGXKV-JTQLQIEISA-N	210.281	-0.008	50	10	BBGE	
CCC(=O)NCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703422362	QYUTXISPWWHXCN-YUMQZZPRSA-N	240.259	-0.571	50	10	BBGE	
CC(C)C[C@H](NC(N)=O)C(=O)N(C)N	704706561	NDDPZVHCOSYJCF-LURJTMIESA-N	202.258	-0.599	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCn1cnnc1	707425035	GWHSGOVQDUZNJB-VIFPVBQESA-N	240.311	-0.632	50	10	BBGE	
CNC(C)(C)C(=O)N1CCC(O)(C#N)CC1	709383603	FHLQOLARLUBIBV-UHFFFAOYSA-N	225.292	-0.139	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)[C@@H]1C[C@H]1C	712323647	YHFLTAZRXQVVMI-VXNVDRBHSA-N	249.075	-0.031	50	10	BBGE	
CN(C)C[C@@]1(O)CCN(C[C@H](O)CCl)C1	713624656	RYIJXQMECOPLIW-ZJUUUORDSA-N	236.743	-0.416	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)OCCl	716670495	JUMDSXMLFYTDBZ-ZCFIWIBFSA-N	210.661	-0.169	50	10	BBGE	
C[C@@H]1CC(C(=O)NNC(N)=O)C[C@@H](C)O1	724389698	JZASLDWBOBPJQB-PHDIDXHHSA-N	215.253	-0.111	50	10	BBGE	
CN(N)C(=O)CNC(=O)[C]1CC=CS1	725655177	NXWPFGRHJTZEQA-UHFFFAOYSA-N	214.270	-0.383	50	10	BBGE	
CN1CCC[C@H](C(=O)NN=c2cc[nH]cc2)C1=O	907258629	YSTGQTVGMCLLAH-SNVBAGLBSA-N	248.286	-0.185	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NN(C)[C@@H](C)CO)C1	911445168	OAADQPIOUYJNNQ-CIUDSAMLSA-N	216.281	-0.245	50	10	BBGE	
C=CCCONC(=O)c1ccc(B(O)O)cc1	1149451637	BXMRFSLPHYOOIG-UHFFFAOYSA-N	235.048	-0.396	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COC[C@@H]1F	1260939093	JWWSSOCCDNOQTM-WHFBIAKZSA-N	217.649	-0.161	50	10	BBGE	
CN(C)C(=O)NNC(=O)CC1(O)CCC1	1583708844	YXSIDMOANDKHLG-UHFFFAOYSA-N	215.253	-0.406	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc(C(C)=O)s1	1626582940	PECKJHBTINBXRM-UHFFFAOYSA-N	242.260	-0.081	50	10	BBGE	
CCNC(=O)NNC(=O)c1c(CO)noc1C	1626812429	BDGJOZAJFWXKIG-UHFFFAOYSA-N	242.235	-0.561	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC[C@@H]2C[C@@H]2Cl)C1	1877395150	XSYRLSGSQAZFEB-RBXMUDONSA-N	204.701	-0.122	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)C1COC1	1881741569	FSLQBUNJENWKON-RQJHMYQMSA-N	205.641	-0.245	50	10	BBGE	
C[C@](O)(CO)CNC(=O)[C@H]1C[C@@H]1Cl	1883633721	BENHADZTSMZQBD-VMHSAVOQSA-N	207.657	-0.527	50	10	BBGE	
C[C@H](NC(=O)/C=C/C(=O)Cl)C(=O)O	1883646794	DLGBBGXWNRDHHW-ZPYNKGFJSA-N	205.597	-0.103	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@@H]1NC(=O)Cl	1884250071	SFIHEWFUNMGNEF-WHFBIAKZSA-N	227.669	-0.253	50	10	BBGE	
COC[C@@H](OC[C@@H](C)OC)C(=O)NN	1886076280	CTAWIYHTNLENQI-RNFRBKRXSA-N	206.242	-0.957	50	10	BBGE	
CN(CC1COCCOC1)C(=O)NN	1887270979	GPKCWERPRNPAAS-UHFFFAOYSA-N	203.242	-0.836	50	10	BBGE	
CN(NC(=O)CBr)S(C)(=O)=O	1888562567	XDHXJHWYYXLYNT-UHFFFAOYSA-N	245.098	-0.696	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1C=CCNC1	1893504820	NEZUYSFTAUNMIX-SDLBARTOSA-N	214.652	-0.048	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC[C@@H](C)O	1899922681	IFEYWMZYNAGPIV-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@@H](F)C1	1900250316	IYYWTLGUJUSKTM-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
OB(O)[C@@H]1CCN(CC2COCCOC2)C1	1902505096	DCIASOSRLNZOOP-SNVBAGLBSA-N	229.085	-0.802	50	10	BBGE	
COC[C@@H](C)OC(=O)N1CC[C@H](B(O)O)C1	1902548136	HPLMWLWFYQSXFD-SFYZADRCSA-N	231.057	-0.293	50	10	BBGE	
C[C@](CN)(C(=O)O)N1CCC(O)(C#N)CC1	1904556101	GLWIALMEFVZAMK-VIFPVBQESA-N	227.264	-0.861	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3CCO[C@@H]3C2)CC1	1908721264	SZVXPBUBGIJUIU-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H](Cn1cccc([N+](=O)[O-])c1=O)C(=O)NN	1912214522	PXSUXCBXTJWXDN-LURJTMIESA-N	240.219	-0.618	50	10	BBGE	
CCCN(CC(=O)NN)S(=O)(=O)C(C)C	1913445394	GSFUVFJOPWIQMF-UHFFFAOYSA-N	237.325	-0.574	50	10	BBGE	
C[C@@H](N=S1(=O)CCC1)[C@@H](C)C(=O)NN	1913862971	QCXPJPSTMMFDOW-RNFRBKRXSA-N	219.310	-0.127	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	1914255791	MVZTVKSUMZYOMG-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]12CCOC2	1915573738	SYSNTAUCPVDTIV-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
CC(=O)N[C@H](C)C(=O)NNC(=O)C(F)(F)F	1923429981	RMOFTNKCDFHAHD-GSVOUGTGSA-N	241.169	-0.779	50	10	BBGE	
CC=CC(=O)Nc1ccc(B(O)O)cc1	1927748955	KODJGQIXDWYOCD-UHFFFAOYSA-N	205.022	-0.119	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1CC1(F)F	1928496101	VXGFTPJUFSUNPQ-QWWZWVQMSA-N	207.180	-0.864	50	10	BBGE	
CC1(C)CCN(C(=O)C(=O)NN)CCO1	1929633676	MERQUFDXWFQJFI-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@H](O)CCl)C2=O	1932152614	JKZXJVLTUKJGNV-JHEQGTHGSA-N	217.652	-0.019	50	10	BBGE	
Cn1nnc([C@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934445409	HXAZAESSNLNBSN-WHFBIAKZSA-N	236.684	-0.671	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@H](C)COC	1936088086	JPJLRPOEZHDNJR-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CCn1cc(OCCOCC(=O)NN)cn1	1936531989	GZKIHYXOSWQICO-UHFFFAOYSA-N	228.252	-0.712	50	10	BBGE	
CO[C@@H]1CCC[C@H]2CN(CC(=O)NN)C[C@H]21	1938088759	VAHVRQJUCMGLLX-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)CC(F)(F)CO	1938127333	LDOVLBQLTXAICJ-RNFRBKRXSA-N	237.250	-0.828	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCCC[C@@H]1OCC2	1944195110	PGOYTWLOBUOLFD-KWQFWETISA-N	241.291	-0.558	50	10	BBGE	
C[C@H]1COCC[C@H]1N(C)CCOCC(=O)NN	1944297437	FQAFURGDOFCAMA-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CC(C)C[C@H](OC[C@@H]1COCCO1)C(=O)NN	1948420646	NIHQXXFKKHHIRR-UWVGGRQHSA-N	246.307	-0.177	50	10	BBGE	
O=C([C@@H]1C[C@H]1C(F)F)N1CC[C@H](B(O)O)C1	1951320672	PGRQXNPCAYFFFJ-RRKCRQDMSA-N	233.023	-0.037	50	10	BBGE	
OB(O)c1csc(N2CC(F)(F)C2)n1	1956966691	YZARAFISYBUXCT-UHFFFAOYSA-N	220.009	-0.722	50	10	BBGE	
N#CC1(CS(=O)(=O)N=C=O)CCOCC1	1957586949	GIHDBRSLXBMTAK-UHFFFAOYSA-N	230.245	-0.028	50	10	BBGE	
CN(C)[C@H]1CN(CC(=O)NN)C(C)(C)C1	1959122603	LVKDNNMZZNJHBI-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
Cc1ccnc(O[C@H]2C[C@@H]2C)c1B(O)O	1961688529	VIQLQUYVNYKKEO-YUMQZZPRSA-N	207.038	-0.143	50	10	BBGE	
CN(CC(=O)NN)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1961815212	LBFNSIGNJOWCRH-VFCFLDTKSA-N	209.293	-0.047	50	10	BBGE	
O=C(c1cn[nH]c1)N1CCC(B(O)O)CC1	1971373664	XCMMZBQMOFRZTN-UHFFFAOYSA-N	223.041	-0.511	50	10	BBGE	
CSCC[C@H](O)C(=O)N1CC[C@@H](B(O)O)C1	1972404112	WXQPUPBJRHUJNA-SFYZADRCSA-N	247.125	-0.824	50	10	BBGE	
C[C@@H](OCCCN1CCCC1)C(=O)NN	1974676761	DOKFTZPPROOYMO-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CN(Cc1cnco1)C[C@H]1C[C@H]1C(=O)NN	1977386827	IWECULHFANDKIN-VXNVDRBHSA-N	224.264	-0.268	50	10	BBGE	
CN(C[C@H]1[C@H]2CCCC[C@H]21)C(=O)C(=O)NN	1979721026	YFFXFVFRMZBXRT-AYMMMOKOSA-N	225.292	-0.129	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1CC(C)(C)C(=O)NN	1981192112	OZYVMRBRKIVAIV-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CCO[C@H]2C1	1981243306	UJNIZHUSWVPRJS-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H](CF)C1	1981247315	GAHCJSITCKNZMU-SECBINFHSA-N	233.287	-0.183	50	10	BBGE	
C=C(CCl)CN1CCN(C[C@H](O)CO)CC1	1983984801	SLVYBDQYFQKLDI-NSHDSACASA-N	248.754	-0.248	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1984193527	UWROUZYIIUNSHO-QCLAVDOMSA-N	227.308	-0.400	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C(C)(F)F	1984261704	KXFNZBRNIJPNLY-NKWVEPMBSA-N	239.266	-0.033	50	10	BBGE	
C/C=C/CCCn1cc(B(O)O)ccc1=O	1984588883	IPAIPDAZEZMGIK-NSCUHMNNSA-N	221.065	-0.116	50	10	BBGE	
Cc1nc(CN(C)CCCCC(=O)NN)no1	1997752461	NBXASGHNRUQSFJ-UHFFFAOYSA-N	241.295	-0.030	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1cccc(B(O)O)n1	1998449349	YNJQIGMATBUKJD-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
CC1CC(CO)(N(C)CC2(C(=O)NN)CC2)C1	2000585755	OUCOVHJFFAQVFZ-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNCCO	2001926346	NPQAAYJTOMFFCI-RBXMUDONSA-N	242.275	-0.654	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](OCCO)C1	2003872554	OPEZYFVGJLZODL-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2CCOC2)c(F)c1	2004930758	WHVWHNDUXYINIY-ZETCQYMHSA-N	241.027	-0.684	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2CC[C@H](C1)O2	2004935214	LQAWCRFEKJUDFD-DTORHVGOSA-N	234.064	-0.871	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ncccc1B(O)O)C2	2004936025	TXFFXBSHNARCME-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
COC1(C)CN(c2ncc(B(O)O)cc2F)C1	2005017540	GTDHZTLMNRTMGJ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]([C@@H](C)O)C1	2005913201	PFGFMDSOPKNCAK-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@@H](O)[C@H]2C1	2008869687	DSVMZMVBOVATOT-BIIVOSGPSA-N	249.261	-0.686	50	10	BBGE	
CC(C)(CN1CC[C@]12C[C@@H](CO)C2)C(=O)NN	2011131603	CVOHIANLUKIBSS-OTCDBFHCSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1Cc1occc1C(=O)NN	2011156707	TUKGVBBECYKAHE-VXNVDRBHSA-N	239.275	-0.162	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1COCCOC1	2014494096	ASJSOLVPTIQLMN-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1ncc(F)cc1B(O)O	2014928467	JJGXWRJXTRGIRR-IMTBSYHQSA-N	241.027	-0.686	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)[C@@H](O)C(C)(C)C	2017673945	JFTZSXHHVOGYRH-NKWVEPMBSA-N	247.295	-0.378	50	10	BBGE	
CC(C)(C(=O)NCC=CB(O)O)[C@@H]1CCCO1	2020068221	PAIIFABRGRRLMW-VIFPVBQESA-N	241.096	-0.124	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1COCC1(F)F	2020348682	MUEPQQZGZBMHOG-MRVPVSSYSA-N	244.990	-0.826	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@H]2CC[C@H](C1)C2	2021157078	HEEXFQRVLBJQRZ-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
Cc1coc(C(=O)Nc2ncc(B(O)O)cn2)c1	2040762799	IEKWITOCVRLZPH-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(N2C[C@@H]3CCO[C@@H]3C2)ncc1B(O)O	2052623272	HBPXJNLTZBEZII-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
COc1nc(N2CCC[C@H]3C[C@H]32)ncc1B(O)O	2052626514	DFYQLVPDQADKPD-IONNQARKSA-N	249.079	-0.846	50	10	BBGE	
O=C(NCC#CB(O)O)c1n[nH]c2ccccc12	2077484498	XRALQRXPYLGBIE-UHFFFAOYSA-N	243.031	-0.692	50	10	BBGE	
C[C@H](OC[C@H]1CCCN1C)C(=O)NN	2209910318	YLTJNEQXQXWZDF-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
NC(=O)C1(N2CCN(C(=O)CCl)CC2)CC1	2211713255	VFNPIHCWZRPRSV-UHFFFAOYSA-N	245.710	-0.613	50	10	BBGE	
C[C@@H](CO)CC1CN(CCCC(=O)NN)C1	2212384375	RYXJXUAXNZHSGR-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C(C)C	2212610934	RLLDVZDLZSVKLV-JTQLQIEISA-N	218.065	-0.169	50	10	BBGE	
CCO[C@@H](C)CN=c1ccc(B(O)O)c[nH]1	2212613109	RXQNSZKGWNNFLM-QMMMGPOBSA-N	224.069	-0.980	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CCC[C@H]1CN(C)C2	2213955344	YZJGFWSGPZGSFG-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2C[C@H]2C1=O	2215709816	MUJOGTLACKDDFI-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2215776774	OVMGQTYBGLVWMF-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
CCC[C@](C)(CO)Nc1cc(B(O)O)ccn1	2217183832	OOZKWHRTOPCVFE-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
C[C@@H]1[C@H](Nc2nccc(B(O)O)c2F)C1(F)F	2217184554	QADOMLDKZJUQFT-FBCQKBJTSA-N	245.997	-0.034	50	10	BBGE	
CC[C@H](Oc1nccc(B(O)O)c1F)[C@@H](C)N	2217187311	WFXLJFFPMZDQKM-SVRRBLITSA-N	242.059	-0.595	50	10	BBGE	
C[C@@H]1NCC[C@@H]1COc1ccc(B(O)O)cn1	2217188514	PDXDOYQSJIKRFI-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@@H]2C[C@@H]2N)cc1B(O)O	2217193272	LSSFMTQIMBLPSX-WEDXCCLWSA-N	236.080	-0.816	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CO[C@H]3C[C@@H]2C3)[nH]c1	2223650083	HZNBSJINULTNCD-KKZNHRDASA-N	248.091	-0.980	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1nccn1C	2223677200	LEDPEZAAYVTYEE-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccccn1	2223679956	WQXURQNSQRZZFR-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
CSC[C@H](C)NC(=O)c1ccoc1B(O)O	2243349524	MSSWTWMPYHKDRH-LURJTMIESA-N	243.093	-0.559	50	10	BBGE	
CCCN(CC)C(=O)c1ncsc1B(O)O	2243359976	ZBZXLDCBNLHVSQ-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
C=C(C)CCNC(=O)c1csnc1B(O)O	2243378114	MSACHTRFDGQDFE-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@H]1C[C@@H]1B(O)O	2243392497	UTZNOVSJOWIWSN-YDKOENCTSA-N	221.065	-0.380	50	10	BBGE	
CCN1CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243397721	HZVGCAUSRHSNIZ-OCAPTIKFSA-N	226.085	-0.940	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)C1(B(O)O)CC1	2243408681	RVZLNFBNKGZQPN-UHFFFAOYSA-N	219.049	-0.475	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1csnc1B(O)O	2243411958	DAHZYJJKJYECPA-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
C=C(CS(=O)(=O)N(CC)CC(C)C)B(O)O	2243412777	SOYSXUJYQHAADD-UHFFFAOYSA-N	249.141	-0.138	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414506	CBNOMBUQDOPHEH-HXFLIBJXSA-N	227.069	-0.779	50	10	BBGE	
CN(C)[S@@](C)(=O)=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243426835	MPTFXPGGNXEJQK-RAPPMSLKSA-N	248.113	-0.660	50	10	BBGE	
NCCN(CC1CC1)C(=O)[C@H]1C[C@H]1B(O)O	2243427622	YDUIKBGNSMTDQN-DTWKUNHWSA-N	226.085	-0.953	50	10	BBGE	
CCN(C)C(=O)c1ncc(B(O)O)cc1C	2243962416	OJNBTWMDVYUAEY-UHFFFAOYSA-N	222.053	-0.838	50	10	BBGE	
Cc1nc(O[C@@H](C)C(F)F)ncc1B(O)O	2244239729	GCIUIEYPVUQKEH-YFKPBYRVSA-N	231.995	-0.503	50	10	BBGE	
C=C1C[C@@H]1CN=c1cc(B(O)O)c(Cl)c[nH]1	2245913630	VDDGIKMRIQLILQ-SSDOTTSWSA-N	238.483	-0.175	50	10	BBGE	
COCCOCOc1cc(B(O)O)cnc1C	2246828162	YOAUEAQCRFHNNS-UHFFFAOYSA-N	241.052	-0.931	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1ccoc1B(O)O	2247743988	LYZUYBKTZFYIRG-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]([C@H]1CCCOC1)N(C)C(=O)C#CB(O)O	2247746599	BDIGWLKLVXTQDX-UWVGGRQHSA-N	239.080	-0.725	50	10	BBGE	
O=C(N[C@H]1CC[C@H](CO)CC1)C1(B(O)O)CC1	2247750306	HGHIKYKRTOGHSR-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
CC[C@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CC1	2247754960	OGRTVEAJTPZGIJ-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2247756023	KPLQVOADBJUMSS-WEDXCCLWSA-N	239.080	-0.635	50	10	BBGE	
CCCCNC(=O)c1ncc(B(O)O)cc1F	2247756131	LHRAIAXNKZUNHN-UHFFFAOYSA-N	240.043	-0.570	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800445	PGEDAKPTCKEJHC-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2247800617	QSXHSEIERMRUSU-AUXWQGHOSA-N	241.096	-0.389	50	10	BBGE	
CC[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2247805058	APJGEDGSHKCYDS-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
C[C@]1(CCO)CCN(C(=O)C2(B(O)O)CC2)C1	2247871504	CFEZGBYGLGOGMM-SNVBAGLBSA-N	241.096	-0.386	50	10	BBGE	
C[C@H]1CO[C@H](CNC(=O)C2(B(O)O)CCC2)C1	2247875622	ZMXAFCKBNJVQGI-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887404	NRIIVWIYYQUVGW-RGOKHQFPSA-N	240.112	-0.517	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891027	DUUMEIACZYWWTC-YDYPAMBWSA-N	241.096	-0.077	50	10	BBGE	
C[C@@]1(CO)CCN(C(=O)C2CC(B(O)O)C2)C1	2247891981	RJSRXXVBVRJEPF-NWGYLPEXSA-N	241.096	-0.530	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC2(C)C)oc1B(O)O	2247892113	ULOGOYIVYGBDQL-MRVPVSSYSA-N	237.064	-0.204	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCn2nccc2C1	2247899502	NPQVNSLKIPDMEN-DTWKUNHWSA-N	235.052	-0.912	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)cc1OC	2248415353	ZAILMPXAZAFAFT-UHFFFAOYSA-N	233.032	-0.663	50	10	BBGE	
CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248573854	KMQMPBUNRNFCPI-BIIVOSGPSA-N	243.068	-0.439	50	10	BBGE	
C[C@@H](CCNC(=O)C1(B(O)O)CC1)CC(=O)O	2248574734	UXVCBPNQSKJNRA-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
O=C(O)[C@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CC1	2248585389	KNHRVHALYVBDCB-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1CNC(=O)C1(B(O)O)CC1	2248588697	GWMNGACNOOVPOG-BQBZGAKWSA-N	241.052	-0.780	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cocc1B(O)O	2249418550	VPJZYEZEIXOTEU-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2250338297	XEAZXBAVXUNRBY-OMHSBUABSA-N	241.335	-0.296	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1CC[C@@H]2C[C@@H]21	2255469319	NPDLNFNPCFARCP-FKTZTGRPSA-N	249.075	-0.170	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1Cc2cncnc2C1	2255560881	AUWXBMNOIRBQBZ-OTSSQURYSA-N	247.063	-0.428	50	10	BBGE	
N#Cc1ccc(NC(=O)C#CB(O)O)cc1C#N	2255680408	LNXYFNBXZSSEPU-UHFFFAOYSA-N	238.999	-0.616	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CCC[C@@H]21	2255692115	SJSZTXIZAUEIKJ-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(C)ccc1B(O)O	2255735788	ALSNXFNXJLRVRE-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	2297943254	CNIOUBVVCWMWHO-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H](O)[C@H]1C2	2298166160	XFUHTSOFNXDPDJ-FBDQPXRJSA-N	239.319	-0.542	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H]2CO	2298369999	LFMUTUAWSZJEAN-CHHOWFRJSA-N	239.080	-0.779	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298377529	UWEAUCBVGARXRA-DJLDLDEBSA-N	240.112	-0.504	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)CO2	2300493788	GPXLBEJCZOVWOS-VCMDJLOCSA-N	239.080	-0.467	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)C1(O)CC1	2301851037	RZYDWRWANYIKPA-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306256369	KMQATHZVJYXNGS-CVPUBMOQSA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccoc1B(O)O	2312857184	XGEHXMKJZGKDJO-WEDXCCLWSA-N	249.075	-0.122	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1	37745067	XPLDXNRYLYEFIV-QMMMGPOBSA-N	242.260	-0.144	50	10	BBGE	
N[C@H]1CCCN(CC(=O)NNc2ccccn2)C1	41029529	CDJHGBYQJDIZJS-JTQLQIEISA-N	249.318	-0.052	50	10	BBGE	
C=CCNC(=O)NNC(=O)COCC	66687377	NETKACJPIIGTMR-UHFFFAOYSA-N	201.226	-0.461	50	10	BBGE	
CC(C)N(CCO)[C@H](C)CCC(=O)NN	82470815	QWSCPADOMHMZFW-SECBINFHSA-N	217.313	-0.152	50	10	BBGE	
C[C@H]1CCCN1CCn1cc(C(=O)NN)nn1	104104612	QFANYRQWOUERHO-QMMMGPOBSA-N	238.295	-0.634	50	10	BBGE	
C[C@H](CN1C[C@@H](C(N)=O)CC[C@H]1C)C(=O)NN	104124353	QAXZIXQSUVATQV-HLTSFMKQSA-N	242.323	-0.802	50	10	BBGE	
O[C@@H]1[C@H]([C@H](Cl)CCl)O[C@@H](O)[C@@H]1O	108474357	CGPKCWFLSGBABQ-FDROIEKHSA-N	217.048	-0.728	50	10	BBGE	
NNC(=O)c1cc(CN2CCC(N)CC2)on1	110597157	SBMVOCBQFOWLDH-UHFFFAOYSA-N	239.279	-0.799	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	114650190	ZBFPNXKDQGUZNC-CRCLSJGQSA-N	218.640	-0.513	50	10	BBGE	
CN(C)c1cnn(CCCC(=O)NN)c(=O)c1	165614811	HUBLBHUPHCSXKM-UHFFFAOYSA-N	239.279	-0.921	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCOCC1	201194211	PYFLLKBZLITPJC-UHFFFAOYSA-N	235.092	-0.493	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](N2CCCC2)C1	223088112	UVJPDVFOEXAEIL-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](N(C)C)C1	223094067	RRZRWGBOHPELEF-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CC(=O)/C(C(=O)N1CCCC1)=C(/N)C#N	225623545	GPVAKKVMLDPWJM-HJWRWDBZSA-N	207.233	-0.066	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@@H](C)CCC(=O)NN)C1	226494831	VODXYHZPYOLRTI-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C[S@](C)=O)N1CC(=O)OC(=O)C1	229064701	FICWJODMAKUTPJ-RCNPXXIZSA-N	219.262	-0.861	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccccc1C	281409199	GQKRKMRWMXRBJE-UHFFFAOYSA-N	221.260	-0.025	50	10	BBGE	
O=C(CCl)NC[C@@H]1CN2CCCN1CC2	306623893	FCCAGXAXJRCWOZ-SECBINFHSA-N	231.727	-0.269	50	10	BBGE	
O=C1C[C@H](CNC(=O)NC(=O)CCl)CN1	307234225	RHXPSELZWDWJNJ-YFKPBYRVSA-N	233.655	-0.813	50	10	BBGE	
CCCN(CC(N)=O)[C@@H](C)[C@H](C)C(=O)NN	309258132	AVGFBCZQLSTDJN-YUMQZZPRSA-N	230.312	-0.802	50	10	BBGE	
CC(=O)NNC(=O)CNCCCOC(C)C	309306965	BBOKONILVWQDNG-UHFFFAOYSA-N	231.296	-0.442	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C(N(C)C)[C@H]2C1	384724617	IVFWTHIQURYBCI-LPEHRKFASA-N	240.351	-0.507	50	10	BBGE	
NNC(=O)c1coc(COC2COC2)n1	386989351	OJUHRTFCZSRIDO-UHFFFAOYSA-N	213.193	-0.807	50	10	BBGE	
CNC(=O)[C@H](CC(C)C)NC(=O)NN	387285433	WBUZHGCTJCLCFL-LURJTMIESA-N	202.258	-0.680	50	10	BBGE	
CCC(=O)c1c(B(O)O)cccc1C(=O)OC	396136855	JTZPACKNIRVATK-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
C[C@@]1(C(=O)Nc2ccccc2B(O)O)CCCO1	404989871	ZQAVWEDGWHVQCU-LBPRGKRZSA-N	249.075	-0.126	50	10	BBGE	
C[C@@H](CN1CCC[C@@](C)(CO)C1)C(=O)NN	688027501	VMJJYQYWWUWRGO-GXSJLCMTSA-N	229.324	-0.293	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOC(C)(C)C	690108981	YBNDHQOTGJQJBL-SECBINFHSA-N	247.339	-0.262	50	10	BBGE	
CO[C@@H](CN(C)[C@H](C)C(=O)NN)C1CC1	692217284	QAWOEUCDXPYAJC-APPZFPTMSA-N	215.297	-0.278	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696775950	JIQKDBLZMBMNRA-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CC1CN(CCOc2cccc(B(O)O)c2)C1	698567463	AZVNUWPBYJLXNB-UHFFFAOYSA-N	235.092	-0.303	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)C[C@H]1CO	700397063	FPYNWRDXPBSLGR-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](CO)C1	700454910	OQQRLXPBIUJOIN-WPRPVWTQSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](CN(C)C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703471420	ZLSPJRGCIZDDTB-CIUDSAMLSA-N	226.276	-0.147	50	10	BBGE	
O=C(NCB(O)O)c1ccc2c(c1)COC2	706504993	LHOSFPIPWIESNS-UHFFFAOYSA-N	221.021	-0.541	50	10	BBGE	
CS[C@H]1CC[C@H](N(C)C(=O)C(=O)NN)C1	707279483	UHSJBVIVOKIBGZ-BQBZGAKWSA-N	231.321	-0.281	50	10	BBGE	
CN(N)C(=O)CNC(=O)c1ccccc1	707534844	KVADFMMZMZCXTF-UHFFFAOYSA-N	207.233	-0.252	50	10	BBGE	
CCN(Cc1nn[nH]n1)C(=O)CBr	707541675	DSDPSJBSGNXWHY-UHFFFAOYSA-N	248.084	-0.057	50	10	BBGE	
CN(c1nnnn1C)[C@@H]1COC[C@H]1Cl	709195657	SMQRGUPABHCICC-PHDIDXHHSA-N	217.660	-0.348	50	10	BBGE	
CC[C@@]1(O)CCCN(C[C@H](C)C(=O)NN)C1	710210439	PIZHHBHLUTVAOU-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
CCCNC(=O)N1CCc2cc(B(O)O)ccc21	712146584	OHFMTCYIEVLXLK-UHFFFAOYSA-N	248.091	-0.152	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC[C@@H](C3CC3)O2)n1	715475051	WZSHSQCVCDLZOM-UWVGGRQHSA-N	236.080	-0.480	50	10	BBGE	
C[C@H](O)[C@@H](O)CNS(=O)(=O)CCCCl	717373654	ADFUGIDZHCSBGC-BQBZGAKWSA-N	245.728	-0.724	50	10	BBGE	
C[C@H](O)[C@H](O)CNc1nc(N)nc(CCl)n1	717375968	KWJAXVGXJQECBH-CRCLSJGQSA-N	247.686	-0.654	50	10	BBGE	
C[C@@H](CN1CCC[C@]1(C)CO)C(=O)NN	723000624	ROGUMWDBASNQCS-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	725654546	HJMHHAPLYMXYIH-ZMONIFLSSA-N	213.237	-0.565	50	10	BBGE	
CC(F)(F)C(=O)NNC(=O)c1cnn[nH]1	815442684	UZBSFEDDAFWKQZ-UHFFFAOYSA-N	219.151	-0.779	50	10	BBGE	
Nc1ncc(C=NNC(=O)CC2CC2)c(N)n1	842532739	BUPGOEPBVCVJOM-UHFFFAOYSA-N	234.263	-0.109	50	10	BBGE	
C#C[C@H](CO)NC(=O)/C(C#N)=C/OCC	854772055	OPSMZWNPPNJJNR-FCZSHJHJSA-N	208.217	-0.459	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCCOC2)n1C	856048495	DRTLXKRMPOXHBJ-MRVPVSSYSA-N	239.279	-0.007	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)CO)C1CCCC1	857170302	NLYQQPVOXSRILJ-SECBINFHSA-N	230.264	-0.669	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NN(C)C1CC1	1142667632	OYHSKTJPDCHBAA-QMMMGPOBSA-N	228.296	-0.195	50	10	BBGE	
Cn1ccnc(NNC(=O)c2ncccn2)c1=O	1472524492	WTYJIGWEKZEGCZ-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NNC(=O)C1CC1	1538513714	CIJBMKVIKZJXNE-VURMDHGXSA-N	223.232	-0.012	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCOC[C@@H]1C2	1877256409	GANYITPOHVKWLM-YLWLKBPMSA-N	215.278	-0.723	50	10	BBGE	
O=C1NC(=O)N(C2CC(Br)C2)C1=O	1882565317	NSTRIUYTLZHARD-UHFFFAOYSA-N	247.048	-0.009	50	10	BBGE	
O=C(NCCOCCO)[C@@H]1C[C@H]1Cl	1883634209	HTQMTSQCTMUXAY-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
NCCN(CCN)C(=O)[C@H]1C[C@H]1Cl	1883646240	WYMDBVSJFOOSSB-NKWVEPMBSA-N	205.689	-0.640	50	10	BBGE	
O=C1CCNC(=O)N1C[C@@H](O)CCl	1884227737	RGMRUCHOKLOVEM-YFKPBYRVSA-N	206.629	-0.472	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NS(=O)(=O)CCF)C1	1884893694	DSMRZHJDWMHNQI-RNFRBKRXSA-N	244.719	-0.203	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@H](O)C[C@@H](O)C1	1886138734	PSVNTVSFVCTIIV-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
CC(C)[S@@](=O)N[C@@H]1CCC=C1B(O)O	1892923578	HMAOACWILWXCJL-XLKFXECMSA-N	217.099	-0.251	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC[C@@H](O)CCO	1893418909	GPUROFCIUSZDTF-RNFRBKRXSA-N	209.673	-0.137	50	10	BBGE	
CC(=O)N(C)C1CN(C(=O)CCl)C1	1893765478	BOGOHSBMIUFNCN-UHFFFAOYSA-N	204.657	-0.086	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ncccc1B(O)O	1896798893	SXIBIIXSJITHSV-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1CCCC(=O)NN	1899736466	USBNCKWKFZBRFS-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
CN(NC(=O)C1(C#N)CCCC1)S(C)(=O)=O	1901348310	GNOJVOXDLUFHBN-UHFFFAOYSA-N	245.304	-0.007	50	10	BBGE	
CN(NC(=O)C1(CN)CC=CC1)S(C)(=O)=O	1901376542	BXPQDQMSPHZONV-UHFFFAOYSA-N	247.320	-0.796	50	10	BBGE	
CC[C@@H]1C[C@]1(N)C(=O)NN(C)S(=O)(=O)CC	1901378252	YKLKBNFKOYSNBC-VXNVDRBHSA-N	249.336	-0.574	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	1902406503	WTFQDIBAOWNQRQ-QMMMGPOBSA-N	218.021	-0.724	50	10	BBGE	
C[C@]1(B(O)O)CCN(S(=O)(=O)C2CCC2)C1	1902522100	NELZTMHIFUASGM-VIFPVBQESA-N	247.125	-0.193	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]3C[C@H]3C2)n1	1902637513	MRSHBAVOFIVFGK-SFYZADRCSA-N	238.121	-0.335	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](CO)C1)C(=O)NN	1902707600	CQYDWBQJOFVQAF-KOLCDFICSA-N	229.324	-0.293	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1CCCC(=O)NN	1903308260	UELONWOURLJYMO-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(F)C(=O)Nc1ncccc1B(O)O	1913641014	FGQWFTFTUXNHSN-UHFFFAOYSA-N	226.016	-0.552	50	10	BBGE	
CC(C)(C)O[C@H]1C[C@@H](C(=O)NCB(O)O)C1	1914014280	ACFQXNDSLHNVQB-OCAPTIKFSA-N	229.085	-0.292	50	10	BBGE	
COCC[S@](C)(=O)=NCCCC(=O)NN	1918073086	WGLHXPNXYVQOKX-HNNXBMFYSA-N	237.325	-0.499	50	10	BBGE	
Cc1ccc(CN(C)CC(=O)NN)nn1	1928241963	RXIPUIWCZUMZDN-UHFFFAOYSA-N	209.253	-0.793	50	10	BBGE	
FC[C@H](Cl)CN=c1ccc2nnnn2[nH]1	1930541890	UZUWJYNIDKJSHV-YFKPBYRVSA-N	230.634	-0.070	50	10	BBGE	
NNC(=O)C1(CN2CC(CCO)C2)CC1	1932107162	AUQITBZEJVNJSJ-UHFFFAOYSA-N	213.281	-0.929	50	10	BBGE	
CO[C@@H]1C[C@@]2(C(=O)NNC(N)=S)C[C@H]12	1935502733	WQGIPWVOUBQBFZ-LRMHIPNDSA-N	215.278	-0.724	50	10	BBGE	
NNC(=O)CCN1CCO[C@H](C2CC2)CC1	1936185698	JROLLYWQSCSAKA-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
Cc1ccc(CN(C)[C@H](C)C(=O)NN)nn1	1936648253	SOQXCDXXFLZIGA-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@]2(CCO2)C1	1938676937	UDDYSUNEGCRZFY-KOLCDFICSA-N	227.308	-0.134	50	10	BBGE	
Cc1cc(=O)n(CC(F)(F)C(=O)NN)c(C)n1	1940895290	GICQDIAKFXOYER-UHFFFAOYSA-N	246.217	-0.515	50	10	BBGE	
O=C(CCl)N1CC2(C1)OCCC[C@H]2O	1955416323	NIBSJZCFACBSBS-SSDOTTSWSA-N	219.668	-0.023	50	10	BBGE	
O=C(CCn1cnnn1)N[C@H]1C[C@H]1CCl	1957833589	ALERFYZEPMKYSK-BQBZGAKWSA-N	229.671	-0.193	50	10	BBGE	
NNC(=O)C1(CN2CC3(F)CC2C3)CC1	1960685280	RCUXSCJYEIZDKH-UHFFFAOYSA-N	213.256	-0.057	50	10	BBGE	
CN(C)NC(=O)Nc1ncc(C(=O)O)o1	1961734235	JAUQEJZOXPKCJM-UHFFFAOYSA-N	214.181	-0.029	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961926422	MUOJTHNMEDRYRT-IGORNWKESA-N	235.711	-0.598	50	10	BBGE	
C[C@@H](C[C@@H](C)C(F)F)NC(=O)C(=O)NN	1974983176	JNVZOHHSFHTNNR-UHNVWZDZSA-N	223.223	-0.228	50	10	BBGE	
CC[C@H](O)CN(CC)[C@@H](COC)C(=O)NN	1977877772	CGSPLNGZFNWPFZ-IUCAKERBSA-N	233.312	-0.916	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1c1ncc(B(O)O)cn1	1981414018	MXQYGLBMIZTOMV-OCAPTIKFSA-N	221.069	-0.466	50	10	BBGE	
CSCCN(C)c1nc(C)ncc1B(O)O	1981469845	ZDPKXSSQVFVKGI-UHFFFAOYSA-N	241.125	-0.736	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC2)C[C@H]1CO	1981728595	IBOAMYWKCZCKSQ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1occc1C(=O)NN	1985742298	LPKJGWHGGDQCHM-POYBYMJQSA-N	225.248	-0.552	50	10	BBGE	
C[C@H](CN(CC(F)F)C1COC1)C(=O)NN	1991227424	KMKFJMASQWMAPI-ZCFIWIBFSA-N	237.250	-0.422	50	10	BBGE	
CSCCNC(=O)N[C@@H]1CCC=C1B(O)O	1991332666	RBFXNPQWFHMHNQ-MRVPVSSYSA-N	244.125	-0.251	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccsn1	1991345337	NHNNNGNLFKIPPB-ZETCQYMHSA-N	238.077	-0.026	50	10	BBGE	
C=C(CN1CCCN(C)C[C@@H]1CC)B(O)O	1992160622	YYGDDJNDZIVMLU-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
O=C(CCC(F)F)Nc1ncc(B(O)O)cn1	1996647405	MAXQKAFWOQPOMZ-UHFFFAOYSA-N	244.994	-0.860	50	10	BBGE	
CN(Cc1ncoc1C(F)F)C(=O)C(=O)NN	1997722461	PBGOKVYUFLYPNX-UHFFFAOYSA-N	248.189	-0.440	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1c1ncon1	1997753292	XVSXLQLACJVJNG-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
CC[C@H](COC)Oc1ncc(C)cc1B(O)O	2004925413	QAHLVEHHVWQDFW-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1CC2(COC2)C1	2011119830	JOACNBIHMCKNGP-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
CC(F)(F)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	2012746191	SWRWKWLULKTART-ZETCQYMHSA-N	247.245	-0.154	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CC(CO)C2)C1	2013608750	MHBCWCGAXXZMSO-ZJUUUORDSA-N	239.319	-0.683	50	10	BBGE	
CCO[C@@]1(CN(C)[C@@H](C)C(=O)NN)CCOC1	2014573306	NNMQXISRUHPILP-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](CN(C)c1ncc(B(O)O)cn1)OC	2014864120	DIDGPSWGLFQIFC-SECBINFHSA-N	239.084	-0.982	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@@H](C)C#N)C1CC1	2019209072	ICPCUHOLRAZEEK-QMMMGPOBSA-N	238.291	-0.222	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@H](C2)O3)c1B(O)O	2021433922	CNQRRJXTGDAZOM-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]([C@@H]1C[C@@H]2CCO[C@@H]12)N(C)C(=O)C(=O)NN	2024317084	IISDXHUGBZLOSI-RYPBNFRJSA-N	241.291	-0.752	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COc1ccc(C(N)=O)cc1	2028045426	QZEUGONNQIAOGK-PSASIEDQSA-N	249.270	-0.210	50	10	BBGE	
Cn1ncc(C(=O)NNCCO)c1-n1cccc1	2031838081	ZJUQAUVDTIOICW-UHFFFAOYSA-N	249.274	-0.563	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CC=CCO1	2034282755	XOLLQIUFLBBGMG-LLVKDONJSA-N	247.059	-0.350	50	10	BBGE	
Cc1ccc(CN2CCO[C@@H]3C[C@H]32)cc1B(O)O	2051854320	RKNMLQZUSYJISE-CHWSQXEVSA-N	247.103	-0.352	50	10	BBGE	
Cc1cc(N2CCC3(COC3)C2)ncc1B(O)O	2052626695	FEBWQYNUFXJOQI-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)c1ccncc1B(O)O	2054287982	UGHXFAFDBKKZBK-NXEZZACHSA-N	248.091	-0.910	50	10	BBGE	
CCOc1cc(C=O)cc(F)c1B(O)O	2060117567	SXJQCBBJRGRSAU-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
COc1cccc(CC(=O)NCC=CB(O)O)c1	2076076341	MOGYHVCHWBNATJ-UHFFFAOYSA-N	249.075	-0.078	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccccc1B(O)O)C2	2079010364	ZEJQCAWKTJOTDI-NOZJJQNGSA-N	245.087	-0.152	50	10	BBGE	
Cc1ncc(OCc2ccnnc2)cc1B(O)O	2086133617	SKVWKPGVWHZETJ-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1CCC[C@H]1O	2209418068	YQUURHBUOXEQHT-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
OB(O)c1ccc(NCc2cc[nH]n2)nc1	2212600947	GMLDQESNFFUXJH-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
CCC[C@H](CN)Nc1ncccc1B(O)O	2212601285	LXFNGDGIXZIGDX-MRVPVSSYSA-N	223.085	-0.699	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2C[C@@H]21	2212602976	BHYRFVQGKMPNAS-OYNCUSHFSA-N	218.065	-0.028	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1ccc(B(O)O)cn1	2212603429	FZPNSKGBLQHWTJ-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)C1(C)CC1	2212612788	OLXVXHDKBAVSAO-SSDOTTSWSA-N	221.069	-0.243	50	10	BBGE	
C[C@@H](C#N)CN(C)c1ccc(B(O)O)cn1	2212612859	PQVXHMBPJBUCTI-QMMMGPOBSA-N	219.053	-0.643	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1cccc(B(O)O)c1	2214600979	WWTQEGUERMKFSZ-CABZTGNLSA-N	235.092	-0.679	50	10	BBGE	
C[C@@H]1C[C@@H](O)[C@@H](C)N(CC2(C(=O)NN)CC2)C1	2214801249	OZGLLMXAAOSXCS-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@]1(F)CCOC1	2216338273	OOTCQTPYLUZVCG-ATZCPNFKSA-N	245.298	-0.327	50	10	BBGE	
CC(C)N(C)CCOc1ccc(B(O)O)cn1	2217166689	IWFDOFUQCKSBNK-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
CC(C)(CN)CNc1nccc(B(O)O)c1F	2217180674	JKOJWJSTZLCBJK-UHFFFAOYSA-N	241.075	-0.703	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C(F)(F)F	2217182992	IAWNGHGRPXSEQL-LURJTMIESA-N	249.001	-0.091	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185218	ZKLBWOSBQRYIBL-SVRRBLITSA-N	242.059	-0.528	50	10	BBGE	
COC[C@H](C)COc1nccc(B(O)O)c1F	2217187190	UZHIHVJAROBRNK-ZETCQYMHSA-N	243.043	-0.438	50	10	BBGE	
COC[C@@H]1C[C@H]1CNc1ncccc1B(O)O	2217198638	DPIOMRQDGZPQRZ-IUCAKERBSA-N	236.080	-0.544	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncccc2B(O)O)CCN1	2217202896	MSKJXUWEPIFLGR-RKDXNWHRSA-N	235.096	-0.686	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1CN	2220062595	MCZPPZXWIBKKPH-PWSUYJOCSA-N	248.135	-0.607	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCN2C2CC2)nc1	2223645597	XSIDRYOBXUVDNE-LLVKDONJSA-N	247.107	-0.590	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(c2cc(B(O)O)ccn2)C1	2223670431	XVXJSOUTOTXBDZ-NXEZZACHSA-N	249.123	-0.804	50	10	BBGE	
C=C(F)CNC(=O)C1(B(O)O)CCC1	2241480226	GKMRZKTUVHYBQZ-UHFFFAOYSA-N	201.006	-0.017	50	10	BBGE	
O=C(NC1CSC1)[C@H]1C[C@@H]1B(O)O	2241496891	XEWAKKRZFJYUBH-WDSKDSINSA-N	201.056	-0.919	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)[C@H](O)CC1	2241589596	RVYCJMIOSXWHAZ-KNVOCYPGSA-N	243.712	-0.670	50	10	BBGE	
CC(C)C1(O[C@@H](C)C(=O)NN)COC1	2242119337	SQGLJAQEOOGZFS-ZETCQYMHSA-N	202.254	-0.194	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@@H](C)CCl	2242436331	NDZSOMQACLVORE-BQBZGAKWSA-N	209.673	-0.015	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)s2)[C@@H]1C	2243349087	FSEZJZQYLJMVGT-GJVVYLMISA-N	239.105	-0.188	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccc(B(O)O)s1	2243356305	FMXHHOFRBVFGRC-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
Cc1cnc(C)c(NC(=O)C#CB(O)O)c1	2243356390	GZMAGVASOQTCBH-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@@H]1C[C@@H]1C	2243383051	UECVJEJWHLULCO-YLWLKBPMSA-N	239.105	-0.125	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCC2)c1	2243397413	AQTXGQNKBJHYFT-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cscc1B(O)O	2243408018	FJFSNLZBGPSHRM-ZETCQYMHSA-N	237.089	-0.573	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccsc2B(O)O)[C@@H]1C	2243408037	FVJWNMONCFBEHU-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1O	2243409673	MQUASLJKXDRZSF-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC[C@@H](C)C1)B(O)O	2243412930	WIUBIYXVLOLELA-APPZFPTMSA-N	247.125	-0.337	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1(Cl)CC1	2243702667	RCZKWYXNMLCFGH-UHFFFAOYSA-N	240.455	-0.529	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2244212414	PKTPTPYDEUULRA-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
C=C=CCCNC(=O)c1cocc1B(O)O	2244215196	BSAPJOTXZAQKJJ-UHFFFAOYSA-N	221.021	-0.580	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](O)[C@H]1CC	2245129065	FMJVKQYLHMORCC-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C=C1CC(N)(COc2ccc(B(O)O)cn2)C1	2246894305	XICKAYYSZPLUCU-UHFFFAOYSA-N	234.064	-0.812	50	10	BBGE	
CCO[C@@H]1CCCC[C@H]1NC(=O)C#CB(O)O	2247742494	PLTSONNLDFFHQF-NXEZZACHSA-N	239.080	-0.534	50	10	BBGE	
CC[C@H]1CCOCC[C@@H]1NC(=O)C#CB(O)O	2247748075	XJAUZJANPGUXGU-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC=CC1CC1)c1occc1B(O)O	2247751085	SJOSEUNPHUYGLF-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(N1CC[C@](F)(CO)C1)C1(B(O)O)CCC1	2247756729	NIIFUXMRNHXVRL-SECBINFHSA-N	245.059	-0.684	50	10	BBGE	
C[C@H]1NCCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247757297	QNZMQYHJJAOIPB-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
CC=CCNC(=O)c1ccc(B(O)O)cc1F	2247759714	VUUTXEOYKNCEHS-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@](CO)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247786508	BTKRSDUAVAGHSF-POZPLHJXSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCC[C@@H]1CCCN1)[C@H]1C[C@@H](B(O)O)C1	2247790463	HQAWXUOTMIZXJH-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCO)CCNC(=O)C1CC(B(O)O)C1	2247798864	XUGVPYNVPVKGBL-IDKOKCKLSA-N	243.112	-0.236	50	10	BBGE	
C[C@H]1CNCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247800621	QUFSCXYIBZTHKY-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
CN=c1ccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c[nH]1	2247808386	USBIUXQMXGSWMM-SFYZADRCSA-N	235.052	-0.653	50	10	BBGE	
CC[C@@H]1COCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247809153	OGCBFYIYDKHGHO-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247809370	YSXBTCOZOCPTRS-PRWFHZCQSA-N	240.112	-0.789	50	10	BBGE	
CON(C(=O)c1coc(B(O)O)c1)C1CCC1	2247874123	ORQKZZVXVFBIMV-UHFFFAOYSA-N	239.036	-0.485	50	10	BBGE	
O=C(NCCn1cccn1)[C@H]1C[C@H](B(O)O)C1	2247888270	XVCDKZZEXDVGIZ-KYZUINATSA-N	237.068	-0.748	50	10	BBGE	
CC[C@@H](CCCO)NC(=O)C1CC(B(O)O)C1	2247903405	KFOLSMLMMZNPQT-RTBKNWGFSA-N	243.112	-0.093	50	10	BBGE	
O=C(N[C@H]1CNC[C@@H](F)C1)[C@H]1C[C@@H](B(O)O)C1	2247911510	WKHPGSZDCQVOJP-UYXSQOIJSA-N	244.075	-0.944	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1O	2247962034	KKPLXMOTGYIZSG-RCOVLWMOSA-N	235.048	-0.790	50	10	BBGE	
C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586614	DESUZQIMLMPBIC-QGOVLLJGSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1COCCN1CCOCCCC(=O)NN	2249091035	WMZKTOXMORPRDS-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@@H]2C[C@H]2C1	2250000893	OYZZCJBUDQCFLY-MXWKQRLJSA-N	235.092	-0.056	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2251031821	YEWUXASDFURURV-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1cn(C)cn1	2255443926	FYMCAIYQKALAAO-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ccncc1B(O)O	2255452171	FABCFPUYZCCHIV-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1coc(B(O)O)c1	2255456961	WEZATTDLZJUGAL-VXNVDRBHSA-N	248.047	-0.619	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255520948	QKJJBEDDJCDSJS-SNVBAGLBSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1CCC=CCC1)c1n[nH]cc1B(O)O	2255554488	NEZZRZRWKRHPBI-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
Cc1ccnc(C(=O)NCC2CCC2)c1B(O)O	2255580961	JZLJDQPQKBFMTB-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2cccn2)C1)[C@H]1C[C@@H]1B(O)O	2255582683	IEEVWEXXRFUGMO-JXUBOQSCSA-N	249.079	-0.434	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]1C1CCC1	2255713959	KKORBEBFMVCDOY-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cc(B(O)O)oc1C	2255720346	RQIYMUJJEBYUFZ-LBPRGKRZSA-N	249.075	-0.200	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCCCN1	2255734748	GRSXQBVIZZMYDJ-UHFFFAOYSA-N	248.091	-0.585	50	10	BBGE	
C[C@H]1[C@H](C)CCN1C(=O)c1ncc(B(O)O)cn1	2255781349	MESZTPYPOOIGAE-SFYZADRCSA-N	249.079	-0.973	50	10	BBGE	
N#CC1=CCN(C(=O)c2cc(B(O)O)co2)CC1	2258136579	MLQXDLPGJTUSLD-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369206	MNCYMOBXHPGLTQ-QCLAVDOMSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298370254	UCKOKPSEIAPVFA-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C(C)(C)C1	2298376420	VYEXXKGYOCKCDZ-IWSPIJDZSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@@H]2CC[C@@H]21	2298377516	UIUBRULMSYXPKZ-GRDBIXFFSA-N	239.080	-0.779	50	10	BBGE	
C[C@@H](O)CCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2299588792	GHQJBJGHURHSIL-BBBLOLIVSA-N	243.112	-0.141	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CC2)CNCC1(F)F	2299721934	RATQOPYLUORQFN-ZETCQYMHSA-N	248.038	-0.893	50	10	BBGE	
NNC(=O)CCCN1CCc2nccn2CC1	2300210582	BCZDYUFTEPRTOF-UHFFFAOYSA-N	237.307	-0.489	50	10	BBGE	
C[C@]1(O)CON(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300368168	GNRMDQBQFOPWAG-ATZCPNFKSA-N	243.307	-0.609	50	10	BBGE	
CN[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2301346254	OWGAHGNIKGEFDA-QMMMGPOBSA-N	233.080	-0.742	50	10	BBGE	
C[C@H](C(F)F)N(C)c1cc(B(O)O)c(F)cn1	2303834794	LYQGUPGXBKFYPZ-RXMQYKEDSA-N	248.013	-0.010	50	10	BBGE	
CNCC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	2303852516	MMEIADGWMIBBRY-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
COCCNC(=O)C(C#N)=CNC(C)(C)CO	2324628617	UZRFSBBQJGHMFH-UHFFFAOYSA-N	241.291	-0.483	50	10	BBGE	
NC(=O)NNC(=O)NC[C@H]1CCCO1	42870074	JGEDAEPBWGGDIM-RXMQYKEDSA-N	202.214	-0.952	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C(=O)NN)[C@H](C)C1	69677881	CAOCYJYHEJCWHL-PRJMDXOYSA-N	213.281	-0.083	50	10	BBGE	
NC(=O)N/N=C(\C(=O)O)c1cccnc1	75615380	BZRPNTATZWAHCZ-WDZFZDKYSA-N	208.177	-0.461	50	10	BBGE	
NNC(=O)[C@H](CN1CC[C@H](O)C1)c1ccccc1	80954537	CRSHVVAFSQDCCX-NWDGAFQWSA-N	249.314	-0.173	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC(=O)N(C)C	86313403	AACRBHULKNGRCW-HTQZYQBOSA-N	230.312	-0.979	50	10	BBGE	
CC(=O)N1CCN(CCCCC(=O)NN)CC1	104111538	DJQXSMKKJJBXRZ-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@H](N(C)C)C1	125726645	BCPDAYSQSIYHHZ-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
Cn1ncnc1SCC(C)(C)C(=O)NN	128063681	YRLRWWYEGJLNGK-UHFFFAOYSA-N	229.309	-0.077	50	10	BBGE	
CCOc1cc(B(O)O)ccc1C(=O)O	196868067	VWIFXHUGYAGNJM-UHFFFAOYSA-N	209.994	-0.537	50	10	BBGE	
OB(O)c1ccccc1CN1CCCOCC1	203135403	FZOLDLPBTHHOLF-UHFFFAOYSA-N	235.092	-0.411	50	10	BBGE	
COc1ccc(Nc2ncc(B(O)O)cn2)cc1	206037743	SCODSWYPWHKBGS-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\NC[C@H](C)O	217182801	LRPOGSVOTDGAGQ-HWPCKVLBSA-N	211.265	-0.111	50	10	BBGE	
C[C@H](O)CCN(C)[C@@H](C)CCC(=O)NN	220009644	XCYXKUPUWHUOOL-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)OC(C)(C)C1	228983572	MIRRLNZBFISASY-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCN(C)C1=O	230276600	ONXSVWSBIRBBQE-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCOCC1CC1	232420563	LJAVVMGNDWEYJC-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
CCOC(=O)N1CCN([C@@H](C)C(=O)NN)CC1	233673435	DLUZNIHFBXJBCP-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
OB(O)c1cc(F)cc(-n2ccnc2)c1	238641385	OQGXKRHYUDKOLG-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCSC1	251536489	HQOVNOGLBHSROV-RQJHMYQMSA-N	203.311	-0.198	50	10	BBGE	
CNNC(=O)C[C@H](N)[C@H]1CCCN(C)C1	258957460	BRIRNKOCWNJVOI-IUCAKERBSA-N	214.313	-0.704	50	10	BBGE	
COc1ccccc1C[C@@H](N)C(=O)NN	259066645	XNYZPTNFEWQIKL-MRVPVSSYSA-N	209.249	-0.445	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN(C[C@H](C)C(=O)NN)C1	300712630	KICKLFFRFYNUCM-KWQFWETISA-N	242.323	-0.930	50	10	BBGE	
OB(O)c1ccc(CCl)c2nc[nH]c12	306882509	NORMDIWRCROUNE-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1B(O)O	307523486	QDYJZSXYEIJDFY-RQJHMYQMSA-N	231.057	-0.631	50	10	BBGE	
NCCCC(=O)NNC(=O)c1ccccn1	309586290	VSQUOZAZASPWLU-UHFFFAOYSA-N	222.248	-0.419	50	10	BBGE	
C[C@@H](O)CNCC(=O)NNc1ccccn1	309976914	UBXKQCMLACXBPC-MRVPVSSYSA-N	224.264	-0.505	50	10	BBGE	
CC[C@@H](NC(=O)NC(=O)[C@@H](C)Cl)C(N)=O	379250791	FFPZFLQDGMHTFL-RFZPGFLSSA-N	235.671	-0.297	50	10	BBGE	
N=c1nc(NNC(=O)[C@@H]2CCO2)cc(Cl)[nH]1	381178751	VTJCDENJOYBIKU-BYPYZUCNSA-N	243.654	-0.225	50	10	BBGE	
N=c1ccn([C@@H]2C[C@H](Cl)[C@@H](CO)O2)c(O)n1	381399378	PRVPTKWTZHAFNZ-BBVRLYRLSA-N	245.666	-0.045	50	10	BBGE	
OB(O)c1cnc(Cl)c(N2CCOCC2)c1	381414557	UKHOBPPTYABJJT-UHFFFAOYSA-N	242.471	-0.749	50	10	BBGE	
CCOC[C@@H](Cl)CNCc1nnn(C)n1	382394032	XOOFUUBNEJMHLL-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@H](C(=O)NN)C(C)C)C1	383700918	SEWCTPJYKGCCJF-AEJSXWLSSA-N	245.323	-0.918	50	10	BBGE	
CCN(CC)C1[C@@H]2CN([C@@H](C)C(=O)NN)C[C@@H]12	384240301	HYNGXPCJTQLENJ-IVZWLZJFSA-N	240.351	-0.363	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(CC(=O)NN)[C@@H]1[C@H]3C2	394365545	NUPCOKDOGONWRU-BOYPTNNESA-N	225.292	-0.669	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOC[C@@H]1CO	395601642	CJEOEJIXHRMWKE-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
O=C(O)CCc1c(S)cccc1B(O)O	396024457	LMPSBKVQVFWISX-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
COc1cc(B(O)O)ccc1CCC#N	396029055	DWDJIIDZHGUMCM-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(C(=O)O)c1	396135713	XOPOKNIHLSZNDV-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
CC(C)C(=O)NCc1cc(B(O)O)ccc1F	404975894	BLSNQBHZVYHZMR-UHFFFAOYSA-N	239.055	-0.222	50	10	BBGE	
C=CCS(=O)(=O)Nc1cccc(B(O)O)c1	405062533	RAAQVBJNVAVRDM-UHFFFAOYSA-N	241.077	-0.706	50	10	BBGE	
CCC(=O)Nc1cccc(B(O)O)c1F	575600263	XLAWQQHEIWCJQX-UHFFFAOYSA-N	211.001	-0.146	50	10	BBGE	
CC[C@@]1(C)COCCN1[C@@H](COC)C(=O)NN	687850112	XSLYEMQVBCVZHK-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
COC[C@](C)(CO)N(C)CC(C)(C)C(=O)NN	689810363	KRUXRYMBMLJMKY-NSHDSACASA-N	247.339	-0.668	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](CC(N)=O)C1	690736666	JXCKNQVWIFMWLV-CIUDSAMLSA-N	242.323	-0.802	50	10	BBGE	
CCNC(=O)[C@@H](C)N1CCC(O)(C#N)CC1	692090093	HPEUNOIADQJSAI-SECBINFHSA-N	225.292	-0.139	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(COC2)C1	697134304	RPEYYMRENXATOY-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2cncn2C)c1	699707431	YESZSGHCJMMENZ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@@H](CN1CC2(CCCO2)C1)C(=O)NN	702940170	XGTLQRWTVCHMIF-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCC[C@@H]1O	708050555	JBRLDQGFFYENAV-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@]12COC[C@H]1C2	717998490	RZIGGBKIQOXYNF-KCGFPETGSA-N	223.228	-0.308	50	10	BBGE	
C[C@H]1[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CCN1C	719596007	CSVBJACMOLCXLR-XKNYDFJKSA-N	238.287	-0.005	50	10	BBGE	
COCC(C)=NNC(=O)[C@@H]1COCCO1	745208401	WXMOHZQRHVKTGJ-QMMMGPOBSA-N	216.237	-0.460	50	10	BBGE	
CCOc1cccnc1C(=O)NNC(=O)CO	777781506	WVIBTMNQWWQWGS-UHFFFAOYSA-N	239.231	-0.766	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@]1(C)C[C@H](O)CN1C	824156126	JHJAOZYTAAHXEM-OIBJUYFYSA-N	245.279	-0.829	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846386658	OPCHRAFLGAJSTA-LXGUWJNJSA-N	228.248	-0.918	50	10	BBGE	
CN(NC(=O)c1cn(C)c(O)n1)C1CC1	854985699	WWAJWYQWQHORMF-UHFFFAOYSA-N	210.237	-0.135	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNc1nccc(OC)n1	900159412	FZXXHLNIFPQRQQ-AVALRIAPSA-N	238.247	-0.135	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NC(C)C	900416219	CTHOKASRZXWZGX-MJSGSUOKSA-N	215.253	-0.338	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NNC(=O)NC1CC1	1136412271	UACWRJJNOMFULW-VOTSOKGWSA-N	238.247	-0.077	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)N2CCOCC2)C1	1142556664	RBMIRUQUSPKZJK-UHFFFAOYSA-N	241.247	-0.962	50	10	BBGE	
COC(=O)CNC(=O)/C(C#N)=C\c1cnn(C)c1	1290575124	AVRSYTKECFAKHD-OQFOIZHKSA-N	248.242	-0.384	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1ncc(F)cn1	1466131365	GKPOCWFBRLRQSO-TYWZFMJISA-N	226.211	-0.004	50	10	BBGE	
CCn1nncc1C(=O)NNC(=O)c1cn[nH]c1	1587135888	XVASEGDCNJNRSE-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
CN(CC(N)=O)C(=O)/C(C#N)=C/c1cnn(C)c1	1625573026	VGRSHSDIBYTTFC-YCRREMRBSA-N	247.258	-0.729	50	10	BBGE	
Cc1ccc2nc(C(=O)NNC(=O)CO)cn2c1	1648685825	GJNDLKKIHDDTIB-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
Cc1nc(CNC(=O)NNc2cccnn2)n[nH]1	1687786477	LAHPFANCKMRKJP-UHFFFAOYSA-N	248.250	-0.271	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CCl)C[C@H]2O1	1881802087	WYVHNSNEZZBXEQ-RFZPGFLSSA-N	204.613	-0.456	50	10	BBGE	
NC(=O)NC1CN(C[C@@H]2C[C@H]2Cl)C1	1883553596	REPONXVIPUXNEY-CAHLUQPWSA-N	203.673	-0.034	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCOCCN1	1883643681	CPLWOJHUVLHNGY-BQBZGAKWSA-N	204.657	-0.023	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883645543	PTHIZCVTXADXGG-VZFHVOOUSA-N	207.657	-0.528	50	10	BBGE	
CC1(O)CN(C(=O)/C=C/C(=O)Cl)C1	1883646919	GDOBVZIRPWVAHY-NSCUHMNNSA-N	203.625	-0.099	50	10	BBGE	
OC[C@H](O)[C@H]1CCCN1C[C@H](O)CCl	1885362223	APMYDAQRCFLPFS-HLTSFMKQSA-N	223.700	-0.596	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COC(CF)CF)O1	1896176244	QBQYRKFXYRGYST-SVRRBLITSA-N	238.234	-0.152	50	10	BBGE	
CC[C@@H]1CC[C@H](Cn2cc(B(O)O)cn2)O1	1897738940	KVBGGBORQHBISA-NXEZZACHSA-N	224.069	-0.480	50	10	BBGE	
CC(C)(F)CNC(=O)c1cnsc1B(O)O	1900441093	BPLNTXPYYJXXRL-UHFFFAOYSA-N	246.072	-0.699	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@H]2CC[C@@H]2N)CC1	1900758056	RMMKKZNDFKSDTN-UWVGGRQHSA-N	241.316	-0.038	50	10	BBGE	
C=CCCS(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902511919	KKJIJXIMYIFYAA-SECBINFHSA-N	247.125	-0.169	50	10	BBGE	
C=CCN(OC)c1cc(B(O)O)c(F)cn1	1903010120	MGRTVIQAIHEHAQ-UHFFFAOYSA-N	226.016	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1907549098	XMZGKLCUPYIZFG-MFDAYCCISA-N	241.335	-0.032	50	10	BBGE	
CN(c1nc(CCl)nc(=N)[nH]1)C1COC1	1915724648	YIEDCSYCPJQINS-UHFFFAOYSA-N	229.671	-0.142	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2CCS2(=O)=O)CC1	1917101925	AHDILOZLAYYAJH-SECBINFHSA-N	240.284	-0.144	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CCO1	1927913391	IRYHGIWYTNAMCD-VGMNWLOBSA-N	213.281	-0.667	50	10	BBGE	
CO[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1F	1928691882	IBVOEVLDWCSFGJ-BIIVOSGPSA-N	219.260	-0.719	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@H]2COCC[C@H]2O1	1929753469	XCVDUVZQBIIZGA-BIIVOSGPSA-N	215.253	-0.647	50	10	BBGE	
CO[C@H]1CN(C)C[C@H]1NC(=O)CCl	1931647113	JJXQVWWYHZOFQN-RQJHMYQMSA-N	206.673	-0.330	50	10	BBGE	
NNC(=O)CCCOC[C@@H]1COCCO1	1933321145	UIEQYVOKMUGTPB-MRVPVSSYSA-N	218.253	-0.812	50	10	BBGE	
NNC(=O)CN1CCOCCC12CCC2	1933429086	NVPLRXMIXDQDIK-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
CN1C[C@@H](Cl)[C@@H](c2nnnn2C)C1	1935168585	BHTVELBTZCCPHP-NTSWFWBYSA-N	201.661	-0.154	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1936081695	APGKXBZMJODNGG-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
Cc1cnn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1	1936082176	NQGCFHXHFXHYCP-YUMQZZPRSA-N	222.248	-0.822	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1936239683	VLURAXAXEQVOKC-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)CC1(C)C	1937790690	IPABALGORHFUKB-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)S1(=O)=O	1937870604	RBQSYNDJXZQRCA-MRVPVSSYSA-N	249.336	-0.429	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)CCCCCC(=O)NN	1946077281	ZTDFCSXLSYBMRJ-VIFPVBQESA-N	244.339	-0.268	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@@H](N)[C@H](O)C#N	1953063908	NTVUGZIXEAFQBD-RQJHMYQMSA-N	224.220	-0.909	50	10	BBGE	
O=C(CCl)C[C@@H]1CS(=O)(=O)CCN1	1954339975	FZKRRGPUIARBNV-ZCFIWIBFSA-N	225.697	-0.429	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1957069608	KVEBFNQWUAURIZ-SZACMFPPSA-N	219.668	-0.432	50	10	BBGE	
C[C@H](O)[C@@H]1CN(C[C@H](O)CCl)CCO1	1957189181	VLGZYSLVIUBIHH-YIZRAAEISA-N	223.700	-0.332	50	10	BBGE	
CN(C(=O)C(=O)NN)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1957686458	ORFCKBWDLLOUAL-DBRKOABJSA-N	209.249	-0.911	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[S@](=O)C[C@H]1C	1961553735	PLLMYGBTWNUNKH-PISXGGPESA-N	233.337	-0.792	50	10	BBGE	
C[C@@H]1C[C@@H]1Oc1ncc(B(O)O)cc1F	1961694350	NDHUAFMZRIDFPO-XRGYYRRGSA-N	211.001	-0.312	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](N=c2cncc[nH]2)C1	1974998067	IWGBLDYNFXWHMQ-NKWVEPMBSA-N	247.707	-0.285	50	10	BBGE	
CN(C)C[C@H]1CCN1CC(F)(F)C(=O)NN	1976930974	AVPSQSNWVNPNHF-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]1C1CC1	1981410242	XJSPSVLBTGVBOE-SNVBAGLBSA-N	218.065	-0.250	50	10	BBGE	
CN(C)S(=O)(=O)N1CCCC[C@@H](N=C=O)C1	1984291084	YMLCTQXAIJYAQI-SECBINFHSA-N	247.320	-0.017	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@H]2C(F)(F)F)c1	1986781502	CHANUJSUDLQFSM-IYSWYEEDSA-N	233.986	-0.239	50	10	BBGE	
CC1(C)COCC[C@H]1CNC(=O)C(=O)NN	1988488017	ZQKXSTKAMURAQX-ZETCQYMHSA-N	229.280	-0.845	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1nc(B(O)O)cs1	1989261128	WMDHCQMMPUKREM-NKWVEPMBSA-N	244.100	-0.135	50	10	BBGE	
C[C@H](NC(=O)C=CC(=O)Cl)c1nc(=O)o[nH]1	1991648626	QXGMEALMEPREME-BYPYZUCNSA-N	245.622	-0.138	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1991652568	OQDDJLDCQPBEFR-FXUQCPSJSA-N	245.662	-0.740	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CCC1)C(=O)C(=O)NN	1992947464	NGVFJHXTYKCCLU-BDAKNGLRSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]1c1ncon1	1997769458	ZWLXLPSOZBRGBH-HTQZYQBOSA-N	239.279	-0.025	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)C1CC2(CC2)C1	1998138553	XMLIPPWXXQZFHO-SSDOTTSWSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)c2ncc(B(O)O)cn2)C1	2004919500	ZRFSGFRPAPVRQL-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CO[C@]2(CCOC2)C1	2009142870	JOIRXSCNSAXSJZ-FXPVBKGRSA-N	243.307	-0.755	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]1(C)CCCO1	2017098268	QYPJGJZPUBHQLJ-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCC=CB(O)O)C12CCC(CC1)OC2	2020068665	UJLRHOUJRRLRHM-UHFFFAOYSA-N	239.080	-0.370	50	10	BBGE	
Cc1cc(C(=O)NCC#CB(O)O)c(C)cn1	2021157233	JKEJZSYJONLIRL-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
C=C(CN1CCC[C@@H]2CN(C)CC[C@@H]21)B(O)O	2021157746	QFSNUYYWEMNUHH-NEPJUHHUSA-N	238.140	-0.029	50	10	BBGE	
CCN(c1ccc(B(O)O)cn1)[C@H]1CCN(C)C1	2052459258	BPDFGEKLOFCQGB-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
CN(CCn1cccc1)c1ccncc1B(O)O	2052469016	LPPPFCLVJIACEN-UHFFFAOYSA-N	245.091	-0.301	50	10	BBGE	
Cc1cnc(N2CC[C@@]3(CCO3)C2)c(B(O)O)c1	2052621844	MHEIOSNJBRALND-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
COc1nc(N2CC(C3CC3)C2)ncc1B(O)O	2052624797	IHZQDNAVIMKALD-UHFFFAOYSA-N	249.079	-0.989	50	10	BBGE	
O=Cc1cc(B(O)O)c(Cl)c([N+](=O)[O-])c1	2060132949	QBFCIDAIFHTNGO-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
OB(O)c1ccc(COCc2ccncn2)cc1	2080329208	GALRCAWORKINFP-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
C[C@@]1(CO)C=CCN1CC1(C(=O)NN)CC1	2211783535	VQQTYZMVPPIWJD-JTQLQIEISA-N	225.292	-0.621	50	10	BBGE	
NNC(=O)C(=O)NC1(C2CC2)CCOCC1	2212245246	LZPUKWRDNGVXEW-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCC[C@H]21	2212603720	QMPPEDIOEJHLCU-MBTKJCJQSA-N	218.065	-0.028	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@H](C)CN1C	2216199001	LFKYVGGWJZGQCA-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2216676346	FSLCRTPZGMQJNN-VXNVDRBHSA-N	249.261	-0.278	50	10	BBGE	
C[C@@H]1CNC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217186736	OJRDUCMSRDVWEV-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCCC[C@@H]2C3)nc1	2217196614	TVHCIPRZELGFJT-KCJUWKMLSA-N	233.080	-0.099	50	10	BBGE	
COC[C@@H](C)CCN=c1cc(B(O)O)cc[nH]1	2217197715	PYNSYVJZLJORSP-VIFPVBQESA-N	238.096	-0.732	50	10	BBGE	
C[C@@H]1CO[C@@H](CNc2cc(B(O)O)ccn2)C1	2217199573	NKLIDARJZSOBOH-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCCNC1	2217203739	ZUFQGBZLQXSTHB-SECBINFHSA-N	235.096	-0.685	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2217204232	GYXYLGMBXZHOLG-SNVBAGLBSA-N	231.064	-0.996	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3[C@@H](O)C[C@@H]32)c1	2220071648	LFUXFVZZYHLWFE-AVGNSLFASA-N	247.103	-0.679	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@H]3CC[C@@H]32)c1	2223624580	AITORXIPKOOZGF-GARJFASQSA-N	247.107	-0.686	50	10	BBGE	
N[C@@H]1C[C@H](COc2ncccc2B(O)O)[C@H]2C[C@H]21	2223650665	PHYVUNBMGSASJA-TURQNECASA-N	248.091	-0.877	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)c1ccc(B(O)O)cn1	2223669546	LHHKEPROSOZJPT-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
CN(C)CC1CC(Nc2ncccc2B(O)O)C1	2223672133	DIJYJOHLELTJBS-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1F)C1(B(O)O)CC1	2243363512	HWABWGWYLKLJIL-RQJHMYQMSA-N	231.032	-0.763	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243364842	DGCCQUIWJNHIFC-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)[C@H]1C[C@@H](B(O)O)C1	2243382390	NVJXLCXORIOWIQ-RBXMUDONSA-N	229.060	-0.039	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2sncc2B(O)O)C1	2243386256	XFHZKVMJKZRAEX-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243403904	FUBSLPUELDGAKF-UYXSQOIJSA-N	227.069	-0.467	50	10	BBGE	
O=C(NCCCCF)c1ncsc1B(O)O	2243407845	ASFZKRVCNXLTFQ-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)C1COC1	2243409552	KHPODYZXPYMWLT-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2243415483	VVSQLTMARXTWEA-XHNCKOQMSA-N	226.085	-0.988	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)N	2243417327	SGFOQTUVMNKGDT-BIIVOSGPSA-N	228.101	-0.519	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H](C)[C@H](C)C1)B(O)O	2243434435	YLPKYNRACPGVAV-HTQZYQBOSA-N	247.125	-0.528	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244205685	MFJBYLRPNPSKEA-ZETCQYMHSA-N	221.021	-0.947	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2244310243	FJPDRRQVRYCPCO-REIXXSIJSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)NCCC#CB(O)O	2244551559	HSEISGAKNFAKPL-UWVGGRQHSA-N	223.081	-0.200	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2Cl)C[C@@H]1O	2246058026	SCROOVHIENIUKJ-XUTVFYLZSA-N	247.678	-0.092	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)[C@H]1C[C@H]1B(O)O	2246176228	KHYOIWIOCJMVLU-HRDYMLBCSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2247746769	DFUAIPGLESGXJE-MRVPVSSYSA-N	236.080	-0.291	50	10	BBGE	
CCc1nocc1CNC(=O)C1(B(O)O)CC1	2247750303	HFXHNQVAFLHRAE-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1F	2247752089	IGXFAEALMFZATR-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
CC1(C)CNCCN1C(=O)C1(B(O)O)CCC1	2247757438	QXDMKAHLFHJRQX-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1occc1B(O)O	2247758706	WDXMATJJWCWAMM-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1n[nH]cc1B(O)O	2247782142	QVENQKXPKVJDEK-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
C[C@H](N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2247792260	RPOBZDURCRLMFW-XHNCKOQMSA-N	243.112	-0.143	50	10	BBGE	
O=C(NC[C@]1(F)C[C@H](CO)C1)[C@@H]1C[C@H]1B(O)O	2247793726	ZNXBQBQFQZIQKR-FDDDBJFASA-N	245.059	-0.924	50	10	BBGE	
O=C(N[C@@H]1COCC1(F)F)C1CC(B(O)O)C1	2247804293	GBIHGWDVBDTJOG-KPGICGJXSA-N	249.022	-0.610	50	10	BBGE	
CCN(C[C@@H]1CCCN1)C(=O)[C@H]1C[C@@H]1B(O)O	2247808336	KTOBHEQRNAIPQH-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CCOCCCNC(=O)c1occc1B(O)O	2247853336	KPSVILRIFPUAQR-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)C1(B(O)O)CC1	2247871762	HKACDCREGKVBFE-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
CC[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247895453	SQALQJDTJOOJTN-NGZCFLSTSA-N	241.096	-0.387	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2247895532	APJGEDGSHKCYDS-NGZCFLSTSA-N	241.096	-0.075	50	10	BBGE	
CN1CCC[C@H](N(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247897957	YUEGXMRIQHUUQO-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2[C@@H](C1)C2(F)F	2247900088	SVTZTKVJEGAJHB-WCTZXXKLSA-N	245.034	-0.037	50	10	BBGE	
NC(=O)CCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900745	ZIEZWMNAMRXTBC-ZKCHVHJHSA-N	242.084	-0.989	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2CNC[C@@H]21	2247905980	WKEWXUZEHPIKIY-NFTFJBJSSA-N	238.096	-0.940	50	10	BBGE	
CC(C)N(O)C(=O)Nc1cccc(B(O)O)c1	2247970611	KIPMKNZMPYENNO-UHFFFAOYSA-N	238.052	-0.002	50	10	BBGE	
CC#CC(=O)NCCc1ccccc1B(O)O	2248415329	YRSRZZCRXILSCG-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CCC1)CC(=O)O	2248574398	QWVYHMIEXORXOM-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
C#CCN(CCF)C(=O)c1cc(B(O)O)co1	2249415561	GCVBCODFLBYRCP-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
Nc1cccc(F)c1C(=O)NCC#CB(O)O	2249907062	DVHMWSDLCVHPRC-UHFFFAOYSA-N	236.011	-0.847	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCN1	2249945589	QCZYLTYRJVAAMG-AUXWQGHOSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](O)CN(CCOCC(=O)NN)C(C)(C)C	2250600097	HMKBJABIOHAXPV-VIFPVBQESA-N	247.339	-0.526	50	10	BBGE	
CN(Cc1ccnnc1)C(=O)[C@@H]1C[C@H]1B(O)O	2251597522	KSQOLPDBXKCYHX-RKDXNWHRSA-N	235.052	-0.702	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]1CC1CC1	2255462396	UWNVPWTXXSBYFP-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)c1cnco1	2255468331	ZKUQBBSAZJSQTR-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=C[C@@H](NC(=O)c1ncccc1B(O)O)C1CC1	2255515362	WQYJUFWRLZHZPQ-SNVBAGLBSA-N	246.075	-0.544	50	10	BBGE	
Cc1cc(C(=O)N2CC(CC#N)C2)oc1B(O)O	2255579335	QFYOXILDMCUPEI-UHFFFAOYSA-N	248.047	-0.747	50	10	BBGE	
Cc1ccc(C(=O)N2CCCOC2)cc1B(O)O	2255730980	XUODVHPSOLVBOR-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1ccncc1B(O)O	2255733257	IHMWEZFPBDTURI-SECBINFHSA-N	246.075	-0.448	50	10	BBGE	
Cc1ccc(C(=O)N2CC(C#N)C2)cc1B(O)O	2255735746	ZNBOKAGOXNZURG-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2CNC[C@H]21	2298369017	GCPZSLUMSYPLEY-AXTSPUMRSA-N	238.096	-0.940	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@H]21)[C@@H]1C[C@H]1B(O)O	2298371602	PRRKGYPCUUWCNN-VAPHQMJDSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H]2NCC[C@@H]21	2298371879	YOGFKKXFVOXEJP-IMSYWVGJSA-N	238.096	-0.798	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@@H]2C[C@H]2C1=O	2300376131	XOORMEWELQHDIO-AXTSPUMRSA-N	237.303	-0.129	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2[C@H]3OCC[C@@H]32)C1	2303109470	RLFPVBACAGDIMA-REIXXSIJSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C#N)N2CC[C@H]1C2	2303227754	IPNRTQJEEMFGKJ-GUBZILKMSA-N	237.307	-0.963	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](C1)N(c1ncccc1B(O)O)C2	2312612119	ABVCTWJFQVNLEZ-KXUCPTDWSA-N	247.107	-0.923	50	10	BBGE	
N#CC1(F)CN(Cc2ncccc2C(=O)NN)C1	2317319444	RZQGWXGKUQKGGZ-UHFFFAOYSA-N	249.249	-0.267	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@@H]1[C@H]2COC[C@H]21	2319209202	BNVQAUYBBCDMOT-URLYPYJESA-N	249.075	-0.659	50	10	BBGE	
COC(=O)CNC=C(C#N)C(=O)NCCCl	2325272320	UPENEBLAUSRIBK-UHFFFAOYSA-N	245.666	-0.489	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1O[C@H]2CC[C@H]1C2	2327591028	DUPMQJBBCYJAOE-QXEWZRGKSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H](CO)OC(=O)[C@@H](O)Br	33637246	SMOOROHNJPGMPL-IUYQGCFVSA-N	213.027	-0.376	50	10	BBGE	
CC(=O)[C@@H]1C=NC(C#N)=C(C(N)=O)N=C1C	38952620	MOMOFYBLLJCHEX-SSDOTTSWSA-N	218.216	-0.043	50	10	BBGE	
NNC(=O)Cn1c(=O)cnc2ccccc21	70162164	ZELVCZOJVJZTGB-UHFFFAOYSA-N	218.216	-0.614	50	10	BBGE	
COC(=O)CSC[C@@H](C)C(=O)NN	82472464	IGDKFUKANBOQHQ-RXMQYKEDSA-N	206.267	-0.481	50	10	BBGE	
Cc1oncc1C(=O)NNC(N)=S	83590790	XMEGXCZGXJUQGE-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
O=Cc1cn(CC(=O)NNc2ccccn2)nn1	90295152	NJUVVVFQJAQVGL-UHFFFAOYSA-N	246.230	-0.371	50	10	BBGE	
N#Cc1ncn(C[C@@H](O)CBr)n1	156257506	PWODBRBBIRPRJH-YFKPBYRVSA-N	231.053	-0.094	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)[C@@H](C)CO1	199009671	RBZJMRQAQVTIDJ-QWRGUYRKSA-N	249.119	-0.024	50	10	BBGE	
N[C@H]1NC(=O)NC[C@@H]1I	201361998	FFHQZGHBRVVMIG-HRFVKAFMSA-N	241.032	-0.612	50	10	BBGE	
Cn1cc([S@@](=O)Cl)c(=O)n(C)c1=O	223373093	KDDDHBBALWAUGX-CYBMUJFWSA-N	222.653	-0.655	50	10	BBGE	
Cc1nc(CNS(=O)(=O)CCl)no1	231843164	MZAYSLSAWQEONI-UHFFFAOYSA-N	225.657	-0.006	50	10	BBGE	
CCC(CC)N(CCO)[C@H](COC)C(=O)NN	232419936	QFWMKIPIIJJMHB-SNVBAGLBSA-N	247.339	-0.526	50	10	BBGE	
COC[C@@H](Sc1nnc(N)s1)C(=O)NN	232421489	GRQMQRPSDIOMRS-GSVOUGTGSA-N	249.321	-0.783	50	10	BBGE	
COc1c(Cl)ncc(C)c1B(O)O	238400146	JQWBMDBVYBSAEO-UHFFFAOYSA-N	201.418	-0.268	50	10	BBGE	
NS(=O)(=O)NC(=O)CCCCl	238600794	GTYLLLHPPMBAMV-UHFFFAOYSA-N	200.647	-0.675	50	10	BBGE	
NCCCCc1ccc2c(c1B(O)O)OCO2	258221557	JSIHVXWDUDLAGD-UHFFFAOYSA-N	237.064	-0.624	50	10	BBGE	
COc1cc(F)c([C@H](N)C(=O)NN)cc1F	259063964	XBPCHZLOSKEKJE-QMMMGPOBSA-N	231.202	-0.037	50	10	BBGE	
COC(=O)C1=NC2=NC(C)=C(C=O)CN2N1	259721301	PZJCANAVBIGJRY-UHFFFAOYSA-N	222.204	-0.779	50	10	BBGE	
CNCCS[C@@H](C)[C@@H](C)C(=O)NN	382649587	RRIGMFIZKKJDID-RQJHMYQMSA-N	205.327	-0.047	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CCC(C)(C)C(=O)NN	384793432	ZNXPZZHPPFTXLI-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CCCC(=O)NN	384884422	JGKFIVJXOMPFJV-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@H]1O	388617714	NDYHCZFFJBVAKM-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CN(C)/C(C#N)=C(/N)C(C#N)(C#N)N(C)C	390028813	WYFWBEQDBYEOQK-CMDGGOBGSA-N	218.264	-0.411	50	10	BBGE	
CCOc1ccc(B(O)O)cc1CCC(=O)O	396111955	ROXDNDGDQZUXCY-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
Nc1cc2c(CO)ccc(B(O)O)c2s1	396251014	SJNZZFRYTXQDSU-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CCc1nn(CCCC(=O)NN)c(=O)n1CC	401439993	YJDLXUCRCJKMRF-UHFFFAOYSA-N	241.295	-0.603	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401635335	XVUSMLRDAJUWJG-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CC[S@](=O)Nc1ccc(B(O)O)cc1	404996182	GSJBCFNWPYLWLS-AWEZNQCLSA-N	213.067	-0.538	50	10	BBGE	
CC(C)OCc1c(C(=O)NN)cnn1C	408716248	KJWQUMUZXOVHKS-UHFFFAOYSA-N	212.253	-0.051	50	10	BBGE	
CC(C)N(CCC(=O)NN)CC(C)(C)O	689906582	PLPHVIVYHXESMW-UHFFFAOYSA-N	217.313	-0.152	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H](O)C1CC1	690155968	OWJMYZGLZPYLAM-SECBINFHSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCN(CCO)CC1CC1	690928302	WBFVGOVEVBYVRR-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
O=C1C[C@@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)CN1	703425529	QTQCUFAPCMAFSH-CSMHCCOUSA-N	238.243	-0.961	50	10	BBGE	
CC(C)(CN1CC(n2cncn2)C1)C(=O)NN	707392575	ZKOJJNURBNDZKR-UHFFFAOYSA-N	238.295	-0.849	50	10	BBGE	
Cc1nn(C[C@@H]2CCCOC2)c(C)c1B(O)O	708398649	NYVFGUJQLDOVDS-JTQLQIEISA-N	238.096	-0.394	50	10	BBGE	
CCC[C@@H]1CN([C@H](COC)C(=O)NN)CCO1	708948831	ZWBZLVKUQCLXII-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@]12CCC[C@@H]1C2	710328783	YTNHAYRRMNBJDT-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
NNC(=O)N1CCOc2cccnc2C1	716450032	YNLWTVCGTIGULW-UHFFFAOYSA-N	208.221	-0.141	50	10	BBGE	
Cc1nccn1Cc1nsc(C(=O)NN)n1	724348070	STOOEDLJSSGDRB-UHFFFAOYSA-N	238.276	-0.305	50	10	BBGE	
CC1=NO[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	854636203	IDANSHAGRVVKLL-HTQZYQBOSA-N	241.247	-0.522	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2ccncn2)o1	1158665554	NBQMZRJHVYZHKG-UHFFFAOYSA-N	247.214	-0.075	50	10	BBGE	
CC(=O)c1cn(C/C=C/C#N)c(=O)n(C)c1=O	1188980244	VMHNTIBKASYGHY-ONEGZZNKSA-N	233.227	-0.171	50	10	BBGE	
CC(=O)NNC(=O)c1cnc(N(C)C)cn1	1440721597	JUOWNTSQROTLMX-UHFFFAOYSA-N	223.236	-0.677	50	10	BBGE	
CN(CC(=O)NNc1nc[nH]n1)C(=O)C1CC1	1472573769	BOASTACSZHOISG-UHFFFAOYSA-N	238.251	-0.884	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@@H]1COC(=O)C1	1618665530	ITZPBGAYYSBTDK-ZETCQYMHSA-N	228.248	-0.257	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1cc(C)nc(N)n1	1644078140	VPBLGJPAGQYNOL-ZCFIWIBFSA-N	223.236	-0.643	50	10	BBGE	
O=S(=O)(NOCCCl)c1ncc[nH]1	1883019198	VKGIJLRRZLYTIC-UHFFFAOYSA-N	225.657	-0.142	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Br	1883538219	RLTPLIOCDCQRTG-WISUUJSJSA-N	249.064	-0.684	50	10	BBGE	
O=C1CC2(CN1)CN(C(=O)CCCl)C2	1884793680	XMKYTNSDXOVZLF-UHFFFAOYSA-N	216.668	-0.036	50	10	BBGE	
C[C@@H](CCOCCC(=O)NN)N(C)C	1884887274	NNFCTFAASKCSTK-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C#CC[C@@H](O)CNC(=O)/C=C/C(=O)Cl	1893504581	JRKKFNXDZCYLOA-SMMXGFFBSA-N	215.636	-0.192	50	10	BBGE	
NC(=O)[C@@H](Cl)c1cccc(B(O)O)c1	1893646786	MLZZSKVTMBKXIP-ZETCQYMHSA-N	213.429	-0.868	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894667858	YVRNUJZTSOEBLV-ATZCPNFKSA-N	227.308	-0.541	50	10	BBGE	
CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)NN)C2	1899569125	QSRQCVJVCPOSGQ-UWVGGRQHSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](CN1CC(C)(C)CS1(=O)=O)C(=O)NN	1901037020	UKCMPCPKJRTHQE-SSDOTTSWSA-N	249.336	-0.716	50	10	BBGE	
CNC(=O)CCCN1CC[C@@](C)(B(O)O)C1	1902541546	PSTZXZDQCCAUBO-SNVBAGLBSA-N	228.101	-0.549	50	10	BBGE	
NC(=O)NN=Cc1ncnc2c1OCCO2	1902567949	VKJGDJBCNMMLOO-UHFFFAOYSA-N	223.192	-0.750	50	10	BBGE	
OB(O)c1csc(CN2CC[C@@H]2C2CC2)n1	1902639715	UUCRGNLZOIIGEX-MRVPVSSYSA-N	238.121	-0.193	50	10	BBGE	
C[C@H](O)[C@H](C)Nc1cc(B(O)O)c(F)cn1	1903010703	SHWLOHZUMPTFAX-WDSKDSINSA-N	228.032	-0.918	50	10	BBGE	
CN(C)S(=O)(=O)N[C@@H](CCCl)C(=O)O	1903495770	LAXWOPYUCDZQLO-YFKPBYRVSA-N	244.700	-0.536	50	10	BBGE	
N=c1ncn(CC(=O)NC2CC(Cl)C2)[nH]1	1909271827	CJDHDXXTRRZGFQ-UHFFFAOYSA-N	229.671	-0.423	50	10	BBGE	
Cc1ccoc1C(=O)Nc1ncccc1B(O)O	1913614118	UCKGJQXIJRMFOR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@H](C)CCC(=O)NN	1914252834	ALLMHFSGUQTRDR-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
CO[C@H]1CCN([C@@H](C)C(=O)NN)C1(C)C	1914330081	HBNOYOVFHFANKS-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
CN(NC1=NC[C@@H](CO)N1)C(=O)OC(C)(C)C	1923413685	ZZDLGJGGKBIUCI-ZETCQYMHSA-N	244.295	-0.322	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(CCOCC(=O)NN)C1	1936537844	VNXAHLQIWNODRQ-AOOOYVTPSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOCC12CCC2	1941086408	RHEDXQCWDSSOIY-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
COC[C@@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941095691	ZVIRBQMFHZRCCG-UMNHJUIQSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2COCC[C@@H]21	1941371945	FWRIWRSWZPSLFF-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCOCC(=O)NN)CCO1	1941772177	FNFXNECSBWTXDZ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)CN1CCOC[C@@H]1C1CCOCC1	1943987293	SCKLMGMWJYNCEX-SNVBAGLBSA-N	243.307	-0.896	50	10	BBGE	
CC(C)n1cncc1CN(C)C(=O)C(=O)NN	1947537321	HVIBYBMCQHSCAC-UHFFFAOYSA-N	239.279	-0.588	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1C(F)(F)C2	1950058239	MHEBWBPXQOLYTP-CSMHCCOUSA-N	249.261	-0.279	50	10	BBGE	
C[C@@H]1[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1(F)F	1951322222	YMNRWRVCCDLDCJ-FSDSQADBSA-N	233.023	-0.037	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1cnc2[nH]nnc2c1	1953072726	MZSZYXSUZGRHKQ-RQJHMYQMSA-N	204.193	-0.763	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(C(N)=O)C1	1954508418	WOGSDEQSXQVXHO-ZCFIWIBFSA-N	204.657	-0.053	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C[C@@H](O)CCl	1954822096	JUPTUTWTAHIUKR-BQBZGAKWSA-N	208.689	-0.218	50	10	BBGE	
NNC(=O)CCOC[C@@H]1CCCOC1	1956964686	UEOMJZDREFEUIE-MRVPVSSYSA-N	202.254	-0.190	50	10	BBGE	
NC(=O)N[C@@H]1CCN(CCOCCCl)C1	1960154962	BYTIKUGECZADQQ-MRVPVSSYSA-N	235.715	-0.016	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CCC2)n1	1961178549	PCHGAHWVISUZSL-UHFFFAOYSA-N	209.253	-0.771	50	10	BBGE	
OB(O)c1cnc(Sc2ncco2)nc1	1961710965	ZFAPQQCPPWHPTD-UHFFFAOYSA-N	223.022	-0.704	50	10	BBGE	
CCON(C)c1cc(C)c(B(O)O)cn1	1961718714	SGSHFDZYUXVGQE-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1967587673	PHDOUUICZRWPJM-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(C)CC(=O)N[C@H](CB(O)O)C(=O)O	1976979603	NHKOMWRBRRYTBE-ZCFIWIBFSA-N	231.057	-0.535	50	10	BBGE	
C[S@@](=O)CC1CN(CCCCC(=O)NN)C1	1979475389	CIOSIVDLZHRPCX-MRXNPFEDSA-N	247.364	-0.543	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2	1980069851	FGQGBZQVXGYYHY-XLPZGREQSA-N	227.264	-0.950	50	10	BBGE	
CCCN(C)Cc1c(C(=O)NN)cnn1C	1980591733	BIFAGICZWMIRCM-UHFFFAOYSA-N	225.296	-0.135	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@H]2CCCCO2)C1	1981088669	LVTHENHYCNSYCB-RKDXNWHRSA-N	229.280	-0.160	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(F)(C2CC2)C1	1981216472	JPXGJUNBMOTVMZ-MRVPVSSYSA-N	231.271	-0.575	50	10	BBGE	
OB(O)c1cnccc1Sc1cccnn1	1981455177	WKYRFEPKFHMPQL-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC[C@@]1(C)CO	1982379837	UAWDWGIXSWRVQF-YWVKMMECSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983568663	WKPRDLCEZNKWPW-DOLQZWNJSA-N	227.308	-0.544	50	10	BBGE	
COC[C@H]1CC[C@@H](CNC(=O)C(=O)NN)C1	1985390884	NZOIJTYYVAQXSF-SFYZADRCSA-N	229.280	-0.845	50	10	BBGE	
CO[C@]1(CN(C)CCC(=O)NN)CCOC1	1987013990	DDNWJURPNJHSTA-JTQLQIEISA-N	231.296	-0.896	50	10	BBGE	
C[C@@H](Cn1ccc(B(O)O)n1)N1CCCC1	1988031205	XMERSGSMCXUXEG-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)[C@H]2COC[C@@H]12	1991706885	VEMTZXZVUNLYBO-CROXQLKHSA-N	244.678	-0.508	50	10	BBGE	
C[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CC(=O)N1C	1991714640	JQLZQWNLJRZXCP-KGGZQZJCSA-N	244.678	-0.003	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992327166	VNIVDZKNWWYJAX-YIZRAAEISA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)CC(C)(C)C1)C(=O)NN	2004908461	CGANEUMMVNCRGS-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
CN(CC1CC(F)C1)c1ncccc1B(O)O	2004935253	MGFOZNGSXPKVIJ-UHFFFAOYSA-N	238.071	-0.054	50	10	BBGE	
CC[C@@H]1CCN(c2nc(C)ncc2B(O)O)C1	2005015123	WHVFGNVKZCPYMC-SECBINFHSA-N	235.096	-0.299	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(CCF)CC1(C)C	2006420864	QLPCJSLOMRIYCC-VIFPVBQESA-N	246.330	-0.270	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC2(CC1)COC2	2008333669	LKCKIQNXZRMTGR-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
COCc1nccn1-c1ccncc1B(O)O	2011262815	TVQRTLABVWXORS-UHFFFAOYSA-N	233.036	-0.907	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ncccc1C(=O)NN	2011374273	SKHJQZJRCUOYNQ-XCBNKYQSSA-N	236.275	-0.750	50	10	BBGE	
CO[C@@]1(CN(C)C[C@@H](C)C(=O)NN)CCOC1	2013416345	WCJROTFVPXZSHH-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C1CC1	2014001837	QNBGSZFPYIHVBN-MXWKQRLJSA-N	241.335	-0.010	50	10	BBGE	
CCC1(CC)C[C@@H](N(C)C(=O)C(=O)NN)CO1	2015415082	IXOGXNIVWJKQQI-MRVPVSSYSA-N	243.307	-0.218	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@@H]2C[C@@H]21	2026060581	MEORMUDGZQFMCR-KHQFGBGNSA-N	234.064	-0.276	50	10	BBGE	
CC(C)Oc1cnn(-c2ncncc2B(O)O)c1	2052603189	OYJDBGNTXIJDEA-UHFFFAOYSA-N	248.051	-0.871	50	10	BBGE	
C[C@@H]1CCN1c1ccnc2cc(B(O)O)cnc12	2052623553	KXYNDFRUBSWQOY-MRVPVSSYSA-N	243.075	-0.092	50	10	BBGE	
Cc1cc(N2CCOCC23CC3)ncc1B(O)O	2052627059	HHTAPVHWTFIFLV-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CCc2ccc(B(O)O)cc21	2055631370	MJGMUUZGMHMADY-ZJUUUORDSA-N	249.050	-0.387	50	10	BBGE	
CCOc1c(F)cc(B(O)O)cc1C#N	2060170232	DAUNQYHSTYXHKR-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1nn(Cc2c(C)ncn2C)c(C)c1B(O)O	2068317991	HFEYNFUICGSTAN-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
COCc1cccc(Cn2ccc(B(O)O)n2)c1	2071400399	WZTWGTIUXNDWQY-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
C#C[C@H](C)CNc1nccc(B(O)O)c1F	2212604935	UZQDIWPJIGXARF-ZETCQYMHSA-N	222.028	-0.418	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1COCCn1cccn1	2215776343	MEQZZOBAZDAZGH-ZJUUUORDSA-N	238.291	-0.084	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC23CCCC3)nc1	2217175721	MRPLMDYKBCXCJL-VIFPVBQESA-N	233.080	-0.099	50	10	BBGE	
Cc1cnc(O[C@@H]2CCCOC2)cc1B(O)O	2217181563	RSWBCMQXWPYQKI-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
CCCN(CCCO)c1cc(B(O)O)ccn1	2217195780	NNJMBUZKAPEEKS-UHFFFAOYSA-N	238.096	-0.640	50	10	BBGE	
CC[C@@H]1C[C@@H](Nc2ncccc2B(O)O)CO1	2217198897	HRESAXYBWAKHKZ-RKDXNWHRSA-N	236.080	-0.259	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2220063485	LUEMIALXGUOKFN-MFKMUULPSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@@H]3C[C@]3(O)C2)c1	2220074367	YUTZHRGGWLYDMG-YPMHNXCESA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1cccnc1NC12CCC(CC1)OC2	2223626168	GVRPXVGLXCICJF-UHFFFAOYSA-N	248.091	-0.115	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CC3(CCC3)[C@@H]2O)c1	2223627984	OPPRETULXDAZBQ-GXSJLCMTSA-N	248.091	-0.523	50	10	BBGE	
OB(O)c1ccnc(N2CCOC3(CCC3)C2)c1	2223632544	LJNXSYMZYRHTNS-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2COC3(CCC3)C2)nc1	2223633307	VCMDCKJINXWRJS-JTQLQIEISA-N	248.091	-0.115	50	10	BBGE	
CC1(C)C[C@@H](CN)CN1c1ccc(B(O)O)cn1	2223645291	VDRUOEJIEVCULE-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N[C@H]2CNCC23CC3)cc1B(O)O	2223653934	VZNBIPSLXXEMTF-JTQLQIEISA-N	247.107	-0.766	50	10	BBGE	
Cc1cnc(N[C@@]2(C)CCN(C)C2)cc1B(O)O	2223654274	ZDHVNXOEWYIXTR-LBPRGKRZSA-N	249.123	-0.424	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCCNC[C@@H]2C3)c1	2223671309	JWOAJWTXRMFBNW-CABZTGNLSA-N	247.107	-0.685	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@@]12CCC[C@@H]1C2	2224033355	ZHMORZRMAVJHHY-BXKDBHETSA-N	248.091	-0.497	50	10	BBGE	
C#C[C@@H]1CCN1S(=O)(=O)N1CC(Cl)C1	2241353665	KOMNCBYZFCCLDV-MRVPVSSYSA-N	234.708	-0.138	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C=CCCCC1	2243357026	QFCMOTGRCGXLMO-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C[C@@H]21	2243362771	WGZQKZPFRKRSAU-XPUUQOCRSA-N	221.021	-0.806	50	10	BBGE	
O=C(N1CC2(C=CCO2)C1)C1(B(O)O)CC1	2243364943	FQEJDDSRAVZZMR-UHFFFAOYSA-N	223.037	-0.839	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC12CCCCC2	2243400097	VVGYPMFOASPBMI-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
CC1(C)CC12CC(NC(=O)C#CB(O)O)C2	2243400742	HIWAKFHZMKPWJB-UHFFFAOYSA-N	221.065	-0.303	50	10	BBGE	
O=C(C#CB(O)O)N1Cc2ccccc2C1	2243404715	SQEYNBSZIKRGOV-UHFFFAOYSA-N	215.017	-0.456	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1C[C@H]1B(O)O	2243404994	XWTSNYXPCZCCRH-UYXSQOIJSA-N	227.069	-0.921	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21)C1(B(O)O)CC1	2243409087	AUQKXPPKJGOLLA-WUNNTHRKSA-N	221.065	-0.236	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)c(C)c1	2243410005	SZDPHQSRFNCABW-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
CC(C)CONC(=O)c1sncc1B(O)O	2243415425	USVFGROHVDKDKI-UHFFFAOYSA-N	244.081	-0.860	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)N(C)C	2243419499	ANFFKDIXHZBNAP-CIUDSAMLSA-N	228.101	-0.694	50	10	BBGE	
COC[C@H](C)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243427460	VWQKORAACTUCRB-VGMNWLOBSA-N	229.085	-0.410	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1coc(B(O)O)c1	2244145351	OWZWMLNNRGXRHK-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
C[C@H](C#N)OCCN1CCC(B(O)O)CC1	2244176757	JRYZYYVOONIELF-SECBINFHSA-N	226.085	-0.146	50	10	BBGE	
CCOC1CC(NC(=O)NCC=CB(O)O)C1	2246926333	RBURHAOICQDTLJ-UHFFFAOYSA-N	242.084	-0.579	50	10	BBGE	
Cc1cnc(N2O[C@H]3CC[C@H]2C3)cc1B(O)O	2247082240	NVTRJDQGFVGVLR-IUCAKERBSA-N	234.064	-0.257	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]1C1CC1	2247741413	ZGNXIVZGELXGLO-VIFPVBQESA-N	235.048	-0.416	50	10	BBGE	
C=C(F)CNC(=O)c1cccc(F)c1B(O)O	2247752563	RLGFNASXPBKNBY-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1[C@H]2CO	2247787154	LPZXVJWBQNIWEY-ZJDVBMNYSA-N	239.080	-0.921	50	10	BBGE	
CNCCC[C@@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247789922	CTJGCEFQRCODFI-BBBLOLIVSA-N	242.128	-0.256	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC(O)(C2CC2)C1	2247790797	IZEMIVQBSBRVKJ-OTSSQURYSA-N	239.080	-0.777	50	10	BBGE	
CN(CC1(C)COC1)C(=O)C1CC(B(O)O)C1	2247792199	QWKUKEPILXVFTD-UHFFFAOYSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)[C@H]1C[C@@H]1B(O)O	2247800644	RCGDWKNFTGCDAL-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2247808933	NFKFCXYKCIYIFM-XSPKLOCKSA-N	245.059	-0.517	50	10	BBGE	
CNC[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247873817	MLKKNFIBDDPWIT-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	2247874603	NGTBOJSGBIDYPV-WPRPVWTQSA-N	233.076	-0.187	50	10	BBGE	
CN1CC[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247878913	QEEQEHKIXWPFTB-VIFPVBQESA-N	240.112	-0.549	50	10	BBGE	
Cn1[nH]c(=NC(=O)C2(B(O)O)CCC2)cc1F	2247879639	WNYWXFAGMVKFAR-UHFFFAOYSA-N	241.031	-0.683	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@H]1CCCO1	2247893323	PZSNTNINYMTWLN-AUXWQGHOSA-N	241.096	-0.077	50	10	BBGE	
O=C(O)CCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2248586171	WVFCZGPAVGKKGG-ZKCHVHJHSA-N	243.068	-0.390	50	10	BBGE	
O=C(O)[C@H]1C=C[C@H](NC(=O)C2(B(O)O)CC2)C1	2248587307	OAOGBJNPKVQTHM-BQBZGAKWSA-N	239.036	-0.861	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCCC1	2248969268	ZYHASRXYFNHMKY-UHFFFAOYSA-N	234.064	-0.694	50	10	BBGE	
CN1C[C@H](CN2CCC(B(O)O)CC2)CC1=O	2249347916	TVNOROSGVPZDFV-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
CCOCCCNC(=O)c1cc(B(O)O)co1	2249407828	CZKJAMDEQAIVFP-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C(C)C	2255517775	FXEGDMKCLFFRPD-SNVBAGLBSA-N	246.075	-0.851	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1c[nH]nc1B(O)O	2255547525	NTGUREGDVSYRIW-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
N#Cc1c[nH]ccc1=NC(=O)[C@H]1C[C@H](B(O)O)C1	2255564790	RGMIGBBSBCTNKH-XWEPSHTISA-N	245.047	-0.433	50	10	BBGE	
Cc1ncnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1C	2255569190	UJWBRFMGJPKUND-RKDXNWHRSA-N	249.079	-0.427	50	10	BBGE	
O=C(N[C@H]1CCC2(CC2)C1)c1cc(B(O)O)c[nH]1	2255670773	IJOCAZDMPLTWQI-VIFPVBQESA-N	248.091	-0.243	50	10	BBGE	
C#CCC1(NC(=O)c2ccc(B(O)O)o2)CCC1	2255714452	QFIMTSIHYUOSPJ-UHFFFAOYSA-N	247.059	-0.365	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21	2255719002	CKBACHFSBLNQBU-FKTZTGRPSA-N	249.075	-0.204	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2255732428	VBVODLYFMOXBII-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1nc[nH]n1	2256638393	GKYSLHOGQCZRDL-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC#CCC(=O)N1CCc2c(B(O)O)cccc21	2256672684	LMNOATUNGOVHMZ-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2260415858	UOSVSYMKGWNRJU-STQMWFEESA-N	249.119	-0.288	50	10	BBGE	
Cc1ccnc(C(=O)Nc2ncco2)c1B(O)O	2263403229	VTYBZBNVJDVPIK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(N=c1[nH][nH]c2ccccc12)[C@@H]1C[C@@H]1B(O)O	2264227814	LKWVDQNEPVGLHI-SFYZADRCSA-N	245.047	-0.214	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2CCCCC(=O)NN	2298004627	IZMXBXPDYXFNCE-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2COC[C@H]2C1	2298371606	PXOSBQPONXQVOB-SGIHWFKDSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@H]1C1CC1	2298374803	NHLFYUUSZKMZPA-SGIHWFKDSA-N	239.080	-0.779	50	10	BBGE	
CN(C[C@@]1(F)CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298375018	LDRCGGNCZJAVTO-MRTMQBJTSA-N	245.059	-0.564	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1(C)C	2298376741	MCCLQECUSXOKAS-FNCVBFRFSA-N	241.096	-0.221	50	10	BBGE	
CNC(=O)C1CN([C@H](C)CCCC(=O)NN)C1	2302023342	OFKLZCVUOIIPAF-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CN1CCC[C@H](CN2CC[C@H](B(O)O)C2)C1=O	2303107101	WKWDCMKCJIFURJ-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)N2CC[C@@H](B(O)O)C2)C1	2303163785	IGGVWZINHZCCFI-IWSPIJDZSA-N	242.084	-0.578	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	2303426672	QFTDEKDOCHKWEG-QFOLPQNPSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)c1ccncc1B(O)O	2307407385	CRSVWUHONMBVQK-KYZUINATSA-N	238.071	-0.054	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1CC[C@@H]2C[C@H]12	2308624298	PIVBIEICJUEXTG-JEZHCXPESA-N	246.075	-0.254	50	10	BBGE	
COC[C@@H](C)N(C)c1ccc(B(O)O)cc1C#N	2317152173	ZCBLEYHNTYPCAD-SECBINFHSA-N	248.091	-0.291	50	10	BBGE	
CCC[C@H](N)CNc1ccc(B(O)O)cc1C#N	2317160286	BTFIGQQQFXBOCM-NSHDSACASA-N	247.107	-0.223	50	10	BBGE	
N#CC(=CNCC(=O)O)C(=O)NCCCl	2325269405	UZAGHXJXPYYNLW-UHFFFAOYSA-N	231.639	-0.577	50	10	BBGE	
Cc1cccc(CNC(=O)C(=O)NN)c1	48266403	FJOYSZKQOFJVPN-UHFFFAOYSA-N	207.233	-0.399	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCCN1)c1cccnc1	49826399	LKYBMAXXXLQNSY-VIFPVBQESA-N	234.259	-0.405	50	10	BBGE	
Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NN)n1	82471972	XOVJJVRFDVROTD-RXMQYKEDSA-N	228.277	-0.451	50	10	BBGE	
O=S(=O)(CCCCCl)NC[C@@H](O)CO	162597971	XNIOEIMBWAXMHX-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
OB(O)c1cccc(COC[C@H]2CCOC2)c1	199071375	UPLYHKBEHCXXGH-NSHDSACASA-N	236.076	-0.081	50	10	BBGE	
CO[C@@H]1CC[C@H](N2CC(=O)OC(=O)C2)C1	234914147	SRANJHITKGIPPM-JGVFFNPUSA-N	213.233	-0.061	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1C[C@H](C)O	304544801	LJKPBHDBJVJGGE-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)[C@@H](CO)C1	306199143	RDARYQNEIXMNDR-GJMOJQLCSA-N	204.657	-0.598	50	10	BBGE	
NC(=S)NNC(=O)NC1CC=CC1	306484640	NGHPXPDPXJYVJX-UHFFFAOYSA-N	200.267	-0.248	50	10	BBGE	
O=C1O[C@@H](CBr)[C@@H](O)[C@H]1O	306641678	MYRODPRKOYUJTI-PZGQECOJSA-N	211.011	-0.972	50	10	BBGE	
C[C@@H](Cl)c1nc(N)nc(-n2cnnn2)n1	308862263	VRAHICRYDXPAAC-GSVOUGTGSA-N	226.631	-0.271	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](CO)CC1	382111258	KMSVJDQTUVYFPO-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
O=C1CC[C@@H](c2ccc(B(O)O)cc2)CN1	382677486	YRAYOENYNUGFOW-SECBINFHSA-N	219.049	-0.640	50	10	BBGE	
COCC1(O)CN(C[C@@H](Cl)C#N)C1	384054404	OCRFIZYYVKWURG-ZETCQYMHSA-N	204.657	-0.190	50	10	BBGE	
NNC(=O)c1coc(COC[C@@H]2CCCO2)n1	386928627	FKUPHJRWMAJRKY-ZETCQYMHSA-N	241.247	-0.026	50	10	BBGE	
C/C(CC(C(=O)O)C(=O)O)=N\NC(N)=O	389462155	GSIGZYVBNYFICZ-YCRREMRBSA-N	217.181	-0.794	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(CN)C1	389692372	HXMPEIVKJNKBHD-PSASIEDQSA-N	214.313	-0.574	50	10	BBGE	
CN(C)CC1CN([C@@H](C(=O)NN)C(C)(C)C)C1	395824456	VOVMPUWXEYSFDO-JTQLQIEISA-N	242.367	-0.116	50	10	BBGE	
Nc1cc(C=O)cc2c(B(O)O)csc12	396241026	LMEIPVIRSYGIMP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H]1OC(=O)N[C@@H]1c1ccc(B(O)O)cc1F	396442237	GVOZKDSFBGRASV-ANLVUFKYSA-N	239.011	-0.325	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCOC[C@@H]1C	398928138	NYGSNVQDJUPUAI-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccncc1	404981889	JPSVZGWZWJSMOU-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C#CCOC(=O)NCc1ccc(B(O)O)cc1	405144519	LCSLVCDWRSHTAZ-UHFFFAOYSA-N	233.032	-0.774	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(B(O)O)c1	584984685	XIELBZIIMMDOIX-NWDGAFQWSA-N	245.087	-0.105	50	10	BBGE	
C[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1	585037954	ONDWFWBCIXLFEF-ZWNOBZJWSA-N	249.119	-0.119	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](OC2CCC2)C1	691852806	UZVFNKJOURSMCM-VIFPVBQESA-N	241.291	-0.464	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(CO)CCOC2)CC1	692084306	FRJFTXMRNWHPDE-LLVKDONJSA-N	240.303	-0.264	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CN(C)C(C)(C)C1	694186690	IXIDHXPCCGGDRK-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(CC(N)=O)CC1	700785181	CGMCOKOMSIHAEY-ZETCQYMHSA-N	233.699	-0.757	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)n1ccnc1[N+](=O)[O-]	702741466	ZDSUFSKLJQIDQC-PHDIDXHHSA-N	227.224	-0.022	50	10	BBGE	
NS(=O)(=O)CCNC(=O)OCCl	703064287	OQZZPPJATMXZBT-UHFFFAOYSA-N	216.646	-0.803	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1[C@@H]2COC[C@@H]12	703475906	BWZVNCZPVHSKGZ-AXTSPUMRSA-N	237.255	-0.205	50	10	BBGE	
CN(N)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1	704707607	UYTXSVHQWNGKCN-MRVPVSSYSA-N	211.265	-0.423	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](CO)[C@@H](CO)C1	705328803	ICDJAJUBANWBLP-HLTSFMKQSA-N	235.711	-0.080	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CN(C)C[C@@H]2C1	706204616	UHAXYXRYTWULIA-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
CNC(=O)N1CCc2c(B(O)O)cccc21	712146716	QVIXMQZZBBWWKH-UHFFFAOYSA-N	220.037	-0.932	50	10	BBGE	
COC[C@@H](Cl)CCNCCn1cnnn1	712592468	RPJAEGRLENYXLE-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
CCCc1nc(SCC(=O)NN)n[nH]1	714116566	RYTSDTYSAOAKQR-UHFFFAOYSA-N	215.282	-0.161	50	10	BBGE	
C[C@H](Br)C(=O)NC[C@H](O)[C@@H](C)O	717356549	PTTZUQHMUNRNHK-JKUQZMGJSA-N	240.097	-0.372	50	10	BBGE	
CC(C)(C)[C@@H](O)C(=O)NNC(=O)[C@H]1CCCO1	817213932	NSCRGXSZPOBPET-SFYZADRCSA-N	244.291	-0.280	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(C)nn1	1136379682	HOGKRXUVDINUTJ-UHFFFAOYSA-N	209.209	-0.641	50	10	BBGE	
O=C(/C=C\c1ccc[nH]1)NNC(=O)c1ncon1	1179588114	BZXYYPFOROOIBF-ARJAWSKDSA-N	247.214	-0.128	50	10	BBGE	
N#C/C=C\CN1C(=O)N[C@@]2(CCOC2)C1=O	1459030895	HIWUELNXYCJMBT-JWXWKVPASA-N	221.216	-0.223	50	10	BBGE	
COc1cccnc1C(=O)NN(C)C(N)=O	1623316335	OYDJMSYUUJAJLF-UHFFFAOYSA-N	224.220	-0.255	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	1648686996	YVCOYKNIKODVLS-CSMHCCOUSA-N	212.249	-0.438	50	10	BBGE	
O=C(CCl)N1CC[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1877605055	OBTBNKNRUIDJGZ-UXXCCHNYSA-N	219.668	-0.432	50	10	BBGE	
NCCS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1881375091	YTMJSLADALBVPJ-WDSKDSINSA-N	212.702	-0.508	50	10	BBGE	
C[C@@H](CCl)NC(=O)[C@H]1CCS1(=O)=O	1881856273	PMZIXGAVQHCJQO-NTSWFWBYSA-N	225.697	-0.083	50	10	BBGE	
O[C@H]1COC2(CN(CCCCl)C2)[C@H]1O	1886159642	PGDNOHYEGFKUSA-YUMQZZPRSA-N	221.684	-0.578	50	10	BBGE	
C[C@H](CSC[C@H]1CCNC1)C(=O)NN	1890943484	XVKJPQALJDPRQJ-SFYZADRCSA-N	217.338	-0.045	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCCl)C[C@H]1O	1894992335	OZWGLEHTBJJVML-APPZFPTMSA-N	221.684	-0.041	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@@H]2C1	1895125271	BLPQMGSSGAOPKN-RKDXNWHRSA-N	218.065	-0.392	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@H](C)N1	1901340451	FAKAUUQTPDRZNI-YUMQZZPRSA-N	249.336	-0.560	50	10	BBGE	
CN(NC(=O)N1CC[C@H](C#N)C1)S(C)(=O)=O	1901348644	MJDKGRHWNNZAOT-SSDOTTSWSA-N	246.292	-0.652	50	10	BBGE	
CN(NC(=O)C[C@@H]1CCC[C@@H]1N)S(C)(=O)=O	1901374804	HDYJCKVXFZAXMV-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
N#C[C@H]1CCN(C(=O)N2CC[C@H](B(O)O)C2)C1	1905585133	ZVMCRJPMACLWBV-BDAKNGLRSA-N	237.068	-0.499	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H](CO)[C@H]2CC[C@@H]1C2	1907936267	PHMSIGVYZSLYNC-FBDQPXRJSA-N	239.319	-0.542	50	10	BBGE	
Cc1cc(N(C)C[C@@H]2C[C@@H]2F)ncc1B(O)O	1908966295	VWSBEFKIVOUKDT-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	1913630600	SOYAJJCUYLHRRP-BQBZGAKWSA-N	220.037	-0.644	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]2(N)CCOC2)CC1	1917113432	XRLQXVOVQWAFOG-LLVKDONJSA-N	221.260	-0.214	50	10	BBGE	
CCOC(=O)CSCC(F)(F)C(=O)NN	1927812691	OAXGOLMYNPBWTQ-UHFFFAOYSA-N	242.247	-0.092	50	10	BBGE	
O=C(CCCl)N[C@@H](CO)CCCO	1928819281	XNPXDCFROIIPMH-SSDOTTSWSA-N	209.673	-0.135	50	10	BBGE	
NNC(=O)CCCCN1C[C@H](O)[C@H](F)C1	1929912430	HQUQUBKFJOCBEQ-SFYZADRCSA-N	219.260	-0.839	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@@H]1CC(=O)N1	1930118154	LOHBGQWZGRDKRN-LURJTMIESA-N	215.253	-0.014	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1CCS1(=O)=O	1930853724	RBJLAGJJEHWZMY-YFKPBYRVSA-N	247.725	-0.711	50	10	BBGE	
C[C@H]1CCS[C@@H]1C(=O)NCB(O)O	1930909835	ZQBDMBDDKYTOQF-WDSKDSINSA-N	203.072	-0.744	50	10	BBGE	
NNC(=O)C(=O)N1CCS[C@@H]2CC[C@@H]21	1931927397	PPJJILRQSFAOKH-NTSWFWBYSA-N	215.278	-0.917	50	10	BBGE	
COCCN(CCF)C[C@H]1C[C@H]1C(=O)NN	1936084650	NPMAMIFXDSDBMV-RKDXNWHRSA-N	233.287	-0.470	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSC[C@H]1CO	1936089939	FZZBGONGUVQPOD-DJLDLDEBSA-N	245.348	-0.978	50	10	BBGE	
CN(CC1CC(O)C1)C[C@H]1C[C@H]1C(=O)NN	1936093716	GYJQNCMXDKBWCT-QLVNRRSVSA-N	227.308	-0.685	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)CC(N)=O	1938362944	ZVIJMEDFNCAFGU-VXNVDRBHSA-N	230.312	-0.803	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1CC1(F)F	1938860233	MKULQLDWTFVZFT-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCC[C@H](O)[C@H]2C1	1945659024	PZUHSDMZJZOAPW-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
COCC1(O)CCN(C[C@H](C)C(=O)NN)CC1	1946492674	IXPPFVIJNNFGNP-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
N#CC1=CCN(C[C@@]2(O)CNCCOC2)CC1	1950645456	MASIFTALFFUGFI-LBPRGKRZSA-N	237.303	-0.507	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@H](O)C#N)nc1	1952999103	ANMKIIYYQFPKMB-RKDXNWHRSA-N	221.216	-0.248	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)CCOCC(=O)NN	1957005672	NMOTVIVOGCKGNI-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
COCCO[C@@H]1CCCN(C(=O)NN)C1	1958240392	ZCTHTRPFBQNUCE-MRVPVSSYSA-N	217.269	-0.303	50	10	BBGE	
CON(C[C@@H](C)C(=O)NN)[C@H]1CCOC1	1960127026	VRLNRAUNSALLHS-SFYZADRCSA-N	217.269	-0.735	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CCO[C@H]2C1	1961581298	AMWCOZKBTQZWGX-HLTSFMKQSA-N	213.281	-0.524	50	10	BBGE	
Cc1ccnc(N(C)C2CC2)c1B(O)O	1961690136	HHHWWMAJQOHLRD-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
CCc1nc(=NC(=O)CCl)n(C)[nH]1	1963205426	BRHNLHTURUOTAF-UHFFFAOYSA-N	202.645	-0.023	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](N=c2cncc[nH]2)C1	1974998074	IWGBLDYNFXWHMQ-RQJHMYQMSA-N	247.707	-0.285	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1976821255	VFUMDTVWZQMJRP-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C[C@@H]2O)C1)C(=O)NN	1978183853	BJXXSWIRZYFSOM-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
O=C1N[C@H]2CN(CCCCCl)C[C@H]2NC1=O	1979508166	QYTZDXGRASOHFO-OCAPTIKFSA-N	245.710	-0.696	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC([C@H](F)CO)C1	1979547840	KIMNWUWLOFFHOG-ACLDMZEESA-N	233.287	-0.737	50	10	BBGE	
NNC(=O)N1CCC[C@H](N2CCCC2=O)C1	1981090802	HTMMAUKCWJVTBN-QMMMGPOBSA-N	226.280	-0.344	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CCO[C@H]2C1	1981242357	LWRGEJCOZYBVFI-KYXWUPHJSA-N	225.292	-0.667	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2OCC[C@@H]2C1	1981242927	QJCDYSNDPHNYBB-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CCC[C@H]32)nc1	1981408881	GMCZFXJQJZVQTA-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CCCC1	1981409210	KFEJOCGRNAPIMG-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ncc(B(O)O)cn1	1981410292	XTOHIFLWDYPAOI-YUMQZZPRSA-N	221.069	-0.751	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)C[C@H]1C	1981411008	GHECBWMBFRIMFV-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](C)N(C)c1ncncc1B(O)O	1981415901	JRKWHZGBWQYEKH-QMMMGPOBSA-N	223.085	-0.363	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)[C@H]1C	1981417098	WYTCUNQGVNWBFX-YUMQZZPRSA-N	221.069	-0.609	50	10	BBGE	
Cc1cc(S[C@@H]2CCOC2)ncc1B(O)O	1981451189	SFYBUPJRUJTBSJ-MRVPVSSYSA-N	239.105	-0.049	50	10	BBGE	
COCCCOc1ccc(F)c(B(O)O)c1	1981499994	HXUXSGXEKKGOQU-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(=O)NC[C@@H]1C	1985210192	VOKYFBLTTMHDGA-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CC[C@@H]2O)CC1	1987463558	CPDRTOQQAXHZTP-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN(CC12CC(C)(CO1)C2)C(=O)C(=O)NN	1990326232	XTGUDOWSNXSUDJ-UHFFFAOYSA-N	227.264	-0.996	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cnc[nH]1	1991344553	IJWBJNDJDNQIRE-ZETCQYMHSA-N	221.025	-0.760	50	10	BBGE	
N[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C[C@H]1CO	1991709199	GBXMZJRKXJLTLO-HIQWKFPQSA-N	246.694	-0.524	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H](CO)CN(CC(=O)NN)C1	2000769623	VXJCCTYIDBGHNO-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	2004190013	DGGWZIVUFNHISY-CKYFFXLPSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1ccc(N2CC3CC(F)(C3)C2)nc1	2004920900	PBPMZJTVQJNZSS-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
C[C@H]1C[C@H](C)CN(c2ncncc2B(O)O)C1	2004921007	QEHHXNKWIWVRRD-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)[C@@H](C)C2)c1B(O)O	2004973314	SJTCGSUPNFDSAN-OCAPTIKFSA-N	235.096	-0.443	50	10	BBGE	
Cc1ncnc(N(C)CCC(C)C)c1B(O)O	2004973627	XTULAGRLDGIVMG-UHFFFAOYSA-N	237.112	-0.053	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@H](C)C2)ncc1B(O)O	2004974080	FMYRRSRZCMAFBS-HTQZYQBOSA-N	235.096	-0.443	50	10	BBGE	
Cc1cn(-c2ncc(B(O)O)c(C)n2)c(C)n1	2005007194	BHFUUPPWYLXRCQ-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cn1cnc(N2CCC(O)(C#N)CC2)c1CN	2006606072	SMVCIVOGZZYWOH-UHFFFAOYSA-N	235.291	-0.266	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC3(COC3)C2)C1	2010833199	PIZXIAFJBLDTSX-NXEZZACHSA-N	239.319	-0.275	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC(O)CC2)C1	2010834309	BFJHRMWPABOZHB-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN(CCC#N)C[C@H]1CCC[C@H](C(=O)NN)O1	2018242550	KHXLLEKKGPQRRL-NXEZZACHSA-N	240.307	-0.241	50	10	BBGE	
C=C(CN(C)C[C@@H]1CO[C@@H]2COC[C@H]21)B(O)O	2021158009	VLMZAGRLWKERQJ-OUAUKWLOSA-N	241.096	-0.852	50	10	BBGE	
C=C(CN1CCOC[C@H]1[C@@H]1CCOC1)B(O)O	2021159600	VZIAMIRAPHYURX-MNOVXSKESA-N	241.096	-0.708	50	10	BBGE	
COc1cc(C#N)c(C=O)c(B(O)O)c1	2060190195	YVUDWIZMNKWHSC-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
COc1ccc(C=O)c(B(O)O)c1[N+](=O)[O-]	2060271035	JRNDJXOFVSQZCF-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3COC[C@@H]32)cn1	2066309799	OIGRBVKFLZLOID-ONGXEEELSA-N	248.286	-0.484	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccccc2B(O)O)CCO1	2079008486	KEEIORQIBIFSOP-SECBINFHSA-N	249.075	-0.773	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ccccc2B(O)O)CO1	2079012800	ZVEZQVSMMGSVLE-BDAKNGLRSA-N	249.075	-0.726	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCC1(O)CC1	2211048896	OOHSNRIKQZVRIF-HTQZYQBOSA-N	225.244	-0.182	50	10	BBGE	
O=C(CCl)N1C[C@H]2[C@H](C1)[C@H]1C[C@H]2[C@H](O)[C@H]1O	2211719333	BGXYEZYCRFBPPT-VJFZFVOESA-N	245.706	-0.329	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@H]1CC[C@@H]1C(=O)NN	2215773940	VAQGDTNYAQFKGX-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)c1ncccc1B(O)O	2217171294	AERBBCPFQCOKFL-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2217171622	CROBLQHIQIKSEE-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNc1ncccc1B(O)O	2217173910	UZVGTYNEJJZBKS-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
CC1(O)CCN(c2cc(B(O)O)ccn2)CC1	2217176932	CATMIRXLBMBYFA-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C=CCCOCCNc1ncccc1B(O)O	2217178152	SBMYLRUSIGJHEH-UHFFFAOYSA-N	236.080	-0.234	50	10	BBGE	
CNC1(COc2cc(B(O)O)ccn2)CCC1	2217187334	WRALZLYARUAXED-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CC[C@@H](CN(C)C)Nc1ncccc1B(O)O	2217203396	UKAIOBVCSKVGQE-VIFPVBQESA-N	237.112	-0.487	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1Cc1cccc(B(O)O)c1	2220063991	VINCMCJBRRVIDJ-ZWNOBZJWSA-N	248.135	-0.322	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1Cc1cccc(B(O)O)c1	2220065733	QTAVQTJXGRAHOU-PHIMTYICSA-N	248.135	-0.451	50	10	BBGE	
O=C1NC[C@H]2CCCN(C(=O)CCl)[C@H]12	2241243246	QTOJNEMYLVXNNK-SVRRBLITSA-N	216.668	-0.038	50	10	BBGE	
C[C@@H](CN(C)CC1COC1)C(=O)NN	2241661526	GZKCAVWJVPTIII-ZETCQYMHSA-N	201.270	-0.809	50	10	BBGE	
CC[C@H](C)NC(=O)c1ccncc1B(O)O	2243349403	KUGLZRXOLKYZDN-ZETCQYMHSA-N	222.053	-0.710	50	10	BBGE	
O=C(C#CB(O)O)N(C1CCC1)C1CCC1	2243356843	NQMYQCUAMVNKNC-UHFFFAOYSA-N	221.065	-0.065	50	10	BBGE	
CCC(CC)NC(=O)c1occc1B(O)O	2243364618	ZXPGRQMNUUARJS-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
C=CCNC(=O)c1cccc(C)c1B(O)O	2243367083	NLFVPZHKRHAGCK-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1O	2243381331	FIBCTBBNNXAAAB-RBXMUDONSA-N	227.069	-0.921	50	10	BBGE	
Cc1sc(C(=O)NCC2CC2)cc1B(O)O	2243382311	NIHLRHPVCSOGOJ-UHFFFAOYSA-N	239.105	-0.124	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C#CB(O)O)C1	2243398241	CEULCUGTAOGEDU-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1nscc1B(O)O	2243398703	SLZUJQCXCVFBIF-FSPLSTOPSA-N	240.093	-0.697	50	10	BBGE	
CN(CC(F)F)C(=O)c1ccc(B(O)O)s1	2243407241	NYTFNBLSZULHDE-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)oc1C	2243408304	KTTOYXSGBCVMQL-UHFFFAOYSA-N	221.021	-0.979	50	10	BBGE	
CN(C(=O)c1ncsc1B(O)O)C1(C)CC1	2243408552	PIQYMPTZQNYGMQ-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1sccc1B(O)O	2243408621	QQIFQFWTISAKOS-ZETCQYMHSA-N	237.089	-0.478	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=CCCC1)B(O)O	2243412253	JCZRNSRVFMNXOC-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
NC[C@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243413538	IGGSMQIXKBXMHL-HACHORDNSA-N	226.085	-0.907	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414509	CBNOMBUQDOPHEH-RBXMUDONSA-N	227.069	-0.779	50	10	BBGE	
N#CCSCC(=O)N[C@H]1CCC=C1B(O)O	2243664250	LBCYGBVYBBCDFP-QMMMGPOBSA-N	240.093	-0.540	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)[C@H](C)C(C)(C)O1	2244836250	GCTQASYKBWZOGF-NKWVEPMBSA-N	229.280	-0.609	50	10	BBGE	
OB(O)c1cnc(N2O[C@H]3CC[C@H]2C3)c(F)c1	2247072827	WNZUCCGIEPDZHG-YUMQZZPRSA-N	238.027	-0.427	50	10	BBGE	
CC1(C)CC[C@H]1Cn1cc(B(O)O)cnc1=O	2247397171	GUOKMAOFQIYKMJ-QMMMGPOBSA-N	236.080	-0.641	50	10	BBGE	
CN(CCC1CCOCC1)C(=O)C#CB(O)O	2247744242	PQCHSFLUHOYTTF-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cc(F)ccc1B(O)O	2247752866	XDHPRNPMPXRNFL-LHLIQPBNSA-N	237.039	-0.356	50	10	BBGE	
O=C(N1CC[C@@H]2COC[C@@H]2C1)C1(B(O)O)CC1	2247757615	QVKBYXJMVHDMTF-BDAKNGLRSA-N	239.080	-0.512	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C	2247761449	VJSQYEURXWZEGG-APPZFPTMSA-N	236.080	-0.674	50	10	BBGE	
CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247785614	NUIWMCIXZKMGPJ-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCCc1cnc[nH]1)[C@H]1C[C@@H](B(O)O)C1	2247786131	WGTSVUJESPOEAP-OCAPTIKFSA-N	237.068	-0.679	50	10	BBGE	
O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[C@@H]1B(O)O	2247798574	VOSOWFMXDWPOBE-DSYKOEDSSA-N	249.022	-0.610	50	10	BBGE	
O=C(NC[C@H]1OCC[C@@H]1F)C1CC(B(O)O)C1	2247809465	PIFDVPWDGFELGU-ABIFROTESA-N	245.059	-0.517	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cc(B(O)O)c[nH]1	2247841121	FZJMSFYHPJEUCB-SECBINFHSA-N	234.064	-0.467	50	10	BBGE	
Cc1ncoc1CN(C)C(=O)C1(B(O)O)CC1	2247873462	JXLVWMYJNMVNCL-UHFFFAOYSA-N	238.052	-0.052	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]1C2	2247894568	IGFOUSBIEQQFLH-IGORNWKESA-N	239.080	-0.779	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H]2CNC[C@H]21	2247900388	WKEWXUZEHPIKIY-AATLWQCWSA-N	238.096	-0.940	50	10	BBGE	
CCN(OC)C(=O)Nc1ccc(B(O)O)cc1	2247970320	IEGQPRHBTPXDEX-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
CCCN(CC(=O)O)C(=O)C1(B(O)O)CCC1	2248576231	FSNKDKWXASTFJM-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
C=CCN(CCC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248587572	RILAHPSQWBXMFX-JGVFFNPUSA-N	241.052	-0.661	50	10	BBGE	
COC[C@]1(C)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2248648193	UGGQGKKJYQCRLU-WPRPVWTQSA-N	241.096	-0.075	50	10	BBGE	
CCOC1CC(C(=O)NCCC#CB(O)O)C1	2250000758	MTPFRFKSDWURFA-UHFFFAOYSA-N	239.080	-0.677	50	10	BBGE	
C#CCOC[C@H](C)Oc1ncccc1B(O)O	2253015439	RIMQIJHUZVBOCI-VIFPVBQESA-N	235.048	-0.822	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cc(B(O)O)oc1C	2255452175	FAYKWRWZFKRSOK-VIFPVBQESA-N	249.075	-0.200	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1ccncc1B(O)O	2255453070	OMIDFJSTRZTTIW-GXSJLCMTSA-N	246.075	-0.710	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccncc1B(O)O	2255457667	HIHUHFXCQLAGRL-AYMMMOKOSA-N	246.075	-0.710	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1ccc(B(O)O)o1	2255467594	PLAHRAPQKWEOJX-UHFFFAOYSA-N	249.075	-0.121	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccon1	2255468208	XJUYJOHAYYYTET-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1cccc(OCCNC(=O)C#CB(O)O)c1	2255468864	HVPBXOXHAQSQHE-UHFFFAOYSA-N	247.059	-0.495	50	10	BBGE	
Cc1cnc(C(=O)NC[C@H]2C[C@H]2C)c(B(O)O)c1	2255557093	ZKTPYWFFJBUYNM-RKDXNWHRSA-N	248.091	-0.544	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCn2ccnc2C1	2255567613	DBLXLIROEVZVFZ-UHFFFAOYSA-N	249.079	-0.522	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)cc1C	2255683503	XSKLNCYPIYVFTK-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2255734909	JJMUZRRRJKRLRK-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2255737226	BJUOJKOJCFQXRM-DQUBFYRCSA-N	247.059	-0.560	50	10	BBGE	
C=CC[C@H]1CCCN1C(=O)c1c[nH]nc1B(O)O	2255791394	OGZXWUXOMAONED-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]21)c1cocc1B(O)O	2258132245	FURLDFPLBSVPEH-SOCHQFKDSA-N	249.075	-0.122	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962697	JVEWQQITFYTBTO-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
O=C(O)C[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2298462695	BAQORLKFNHGXBM-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](O)CCCN(C)c1ccc(B(O)O)cn1	2299583031	HDNPJGGKQVHAHA-SECBINFHSA-N	238.096	-0.641	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	2299757790	BDVGFTTXYUGUIH-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](O)C1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300365943	CPUCZMOBXPETOD-NGZCFLSTSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	2302061581	TXQYRZWJMKFJDO-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ccon1	2317156779	WMTJCARWDCRVJG-UHFFFAOYSA-N	243.031	-0.162	50	10	BBGE	
O=Cc1ccc(N2CCC23COC3)cc1B(O)O	2317308626	LLXDOKHWYKJCTQ-UHFFFAOYSA-N	247.059	-0.842	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)ncc1F	2320782003	QPJZHSQNFTXBIE-UGYAYLCHSA-N	248.066	-0.255	50	10	BBGE	
CS(=O)(=O)OCC[C@H](O)CCl	82185171	QPDLBBFIGNMWNT-YFKPBYRVSA-N	202.659	-0.048	50	10	BBGE	
O=C(CBr)NCc1ncn[nH]1	82510794	KYVSEXOQWXOVLB-UHFFFAOYSA-N	219.042	-0.184	50	10	BBGE	
NNC(=O)CCCCN1CCN2CCC[C@H]2C1	94468177	FNASXVKTTFHXSX-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
Cc1nnc2n(c1=O)NC(N)=C(C#N)S2	107460839	PXWJBSPIHFJKII-UHFFFAOYSA-N	222.233	-0.753	50	10	BBGE	
CCN1CCC[C@H](N2CC(=O)OC(=O)C2)C1	111218120	KNRDQIQXVIKOPF-VIFPVBQESA-N	226.276	-0.144	50	10	BBGE	
N[C@@]1(C(=O)O)CCCC[C@H](B(O)O)C1	197888565	HWUAOJOFZVUISD-XPUUQOCRSA-N	201.031	-0.424	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](N)C1	203229503	NXOLWHUEXGLORY-SFYZADRCSA-N	200.286	-0.822	50	10	BBGE	
Cc1ccnn1Cc1cccc(B(O)O)c1	203619192	XNCHYCVKKMSKNN-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
NNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	205119937	MMZMADORYMWYJD-FPYGCLRLSA-N	213.153	-0.305	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@H](C)CCl	227260617	NOJRNYJDVKPMFF-PHDIDXHHSA-N	223.656	-0.489	50	10	BBGE	
CCc1nc(CC)n([C@@H](COC)C(=O)NN)n1	232421136	PPCGTAOQDZEZPH-ZETCQYMHSA-N	241.295	-0.420	50	10	BBGE	
CCOC[C@H](NC(=O)C(=O)NN)C(C)C	233744942	HZFXVLJWFKQEIS-ZETCQYMHSA-N	217.269	-0.846	50	10	BBGE	
NC(=O)[C@@H]1CCN(S(=O)(=O)CCl)C1	236255775	UEINRIIRDHHVBD-RXMQYKEDSA-N	226.685	-0.680	50	10	BBGE	
COc1ccc2c(B(O)O)snc2c1	238366471	AVSBQEHXUYGWDJ-UHFFFAOYSA-N	209.035	-0.015	50	10	BBGE	
OB(O)c1c([C@H]2CCNC2)ccc2c1OCO2	258138961	ISGNRRCIMBWXKP-ZETCQYMHSA-N	235.048	-0.828	50	10	BBGE	
Cn1cc([C@@](O)(CCl)C(=O)O)cn1	306357740	WHTODMXMBJRJGG-ZETCQYMHSA-N	204.613	-0.069	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H]1CSCN1	308517452	NHWVEEAQHLCSPO-YFKPBYRVSA-N	219.266	-0.574	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)n1cc(C#N)cn1	379944532	IOIRGWVWCHZGAH-NKWVEPMBSA-N	207.237	-0.058	50	10	BBGE	
CC(C)(CN1CC[C@@](C)(CN)C1)C(=O)NN	380801338	HMLOQJRDIXLFRF-NSHDSACASA-N	228.340	-0.327	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	381887857	QUHWJEXHCLCGTO-JBDRJPRFSA-N	223.276	-0.519	50	10	BBGE	
CCN(C(=O)NNC(N)=S)C1CC1	388684984	JNFVPIOFPIIAAS-UHFFFAOYSA-N	202.283	-0.072	50	10	BBGE	
O=C(N[C@@]1(CCl)CCOC1)[C@@H]1COCCO1	393920658	RSZRJGPASLJYIH-WCBMZHEXSA-N	249.694	-0.084	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC(N)CC1	395819501	QNNPGVZBYXCWGT-SECBINFHSA-N	228.340	-0.186	50	10	BBGE	
COC(=O)Cc1nc2c(B(O)O)cccc2o1	396119705	KVZDUSRINPIOOB-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
C[C@H]1CC[C@H](N2CC(=O)OC(=O)C2)CO1	401401919	NTVMELGDLXOMSH-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)c1ccc[nH]1	405010689	PTQVHOYURSSOQJ-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CN1C(=O)N[C@@H]2[C@H](Br)CNC[C@H]21	605691634	NZGCYQKKWMFNDY-HSUXUTPPSA-N	234.097	-0.255	50	10	BBGE	
NNC(=O)C1=C(Br)S#CN1	642865112	WWSNQXAOLMPGHS-UHFFFAOYSA-N	222.067	-0.207	50	10	BBGE	
COC[C@@](C)(CO)N(C)[C@@H](C)CCC(=O)NN	689810871	NFYYDMHFUDUWQX-GXSJLCMTSA-N	247.339	-0.526	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690211058	ILTICPLBMKOHDY-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
CO[C@H](CN(C)[C@@H](C)C(=O)NN)C1CC1	692217286	QAWOEUCDXPYAJC-IONNQARKSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2CC[C@H]1COC2	695048435	HTMZHSQTYABVPY-KATARQTJSA-N	227.308	-0.136	50	10	BBGE	
COCCN(CCCl)C(=O)c1nnn(C)n1	697221037	DTGDCJFQJCJIIZ-UHFFFAOYSA-N	247.686	-0.463	50	10	BBGE	
NNC(=O)c1cccc(Cn2ccnn2)c1	699002105	JGJMUONAKAFRNH-UHFFFAOYSA-N	217.232	-0.070	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](F)C1	701809041	KAEPWQZJRQWIDG-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](N2CCC2)C1	705329530	AGAZCIWEGGNFBH-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
O=C(NN=Cc1ccc[nH]1)[C@H]1COCCO1	745212289	IZLONCKGGCCQGN-SECBINFHSA-N	223.232	-0.120	50	10	BBGE	
C[C@@H]1CN=C(N2CCC(O)(C#N)CC2)N1	821980584	JRPKTVITMPTUPL-MRVPVSSYSA-N	208.265	-0.315	50	10	BBGE	
Cn1cc(C(=O)NN=C2CCOC2)nn1	853386422	GROWIISDNJLKCH-UHFFFAOYSA-N	209.209	-0.679	50	10	BBGE	
O=C(NNc1ccncn1)[C@@H]1C[C@H]1[N+](=O)[O-]	1141135356	NHCLHBYPCPBSAS-PHDIDXHHSA-N	223.192	-0.415	50	10	BBGE	
NC(=O)C(=O)NN=C1CC(CF)(CF)C1	1327631421	FDHDIIVDJMNUDS-UHFFFAOYSA-N	219.191	-0.337	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H](C#N)CO	1330849047	SEUYJZLZSOHNEU-NFXKFNAJSA-N	209.205	-0.569	50	10	BBGE	
Cc1nnc(NNC(=O)C2=CCOCC2)n1C	1335312700	DHODLVVWIYIVJQ-UHFFFAOYSA-N	237.263	-0.087	50	10	BBGE	
C[S@@](=N)(=O)N1CCN(C(=O)CCl)CC1	1335816981	GCVQMMNGXIARIC-AWEZNQCLSA-N	239.728	-0.039	50	10	BBGE	
COC(=O)C(=O)NN=C1CC(=O)N2CCC[C@H]12	1344574021	GAKPFLWVOSCWBE-SSDOTTSWSA-N	239.231	-0.974	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C	1598215750	ALKLJZRGODYOCV-NTSWFWBYSA-N	244.251	-0.778	50	10	BBGE	
O=C(O)[C@H](O)CNC[C@@H]1C[C@H]1Br	1877411727	NTKZJYUIGMEIKV-KVQBGUIXSA-N	238.081	-0.195	50	10	BBGE	
N[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1877521788	XBMZRSDAANHRQN-OSMVPFSASA-N	218.684	-0.154	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883645544	PTHIZCVTXADXGG-WNJXEPBRSA-N	207.657	-0.528	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H](B(O)O)C1	1891517973	VLMMMOXAJKRKNF-XVMARJQXSA-N	217.461	-0.311	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@@H]1Cl)N1CC(O)C1	1893127831	KKHKCSLGKOMXNE-FSPLSTOPSA-N	240.712	-0.875	50	10	BBGE	
CC(C)(NC(=O)C=CC(=O)Cl)C(N)=O	1893410603	LLXUNWOFIWBTJZ-UHFFFAOYSA-N	218.640	-0.312	50	10	BBGE	
O=C(NCCC1(O)CNC1)[C@@H]1C[C@@H]1Cl	1893460927	KKDZCAWENDPTRE-RQJHMYQMSA-N	218.684	-0.546	50	10	BBGE	
COC(=O)c1ncccc1[C@@H](N)[C@@H](O)C#N	1894494015	YQYOKVQMIVLGET-JGVFFNPUSA-N	221.216	-0.248	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)OC(C)(C)C1=O	1898711840	UPFUQTAUERNRRL-RXMQYKEDSA-N	229.236	-0.488	50	10	BBGE	
C[C@@H](CC(=O)NN)OCC1COCCOC1	1900891949	DZXOWXUUKSNUBV-QMMMGPOBSA-N	232.280	-0.566	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(F)(C#N)C1	1901251630	PSLBZLLRUICSAM-QMMMGPOBSA-N	228.271	-0.062	50	10	BBGE	
CN1CC[C@H](CN2CC[C@H](B(O)O)C2)C1=O	1902528291	FZBMRUWHHSQTBK-BDAKNGLRSA-N	226.085	-0.987	50	10	BBGE	
C[C@@H]1C[C@@H](O[C@H](C)C(=O)NN)CCO1	1904779301	DNZBDCMYUASAGZ-PRJMDXOYSA-N	202.254	-0.051	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](CO)C2(CCC2)C1	1914015949	ANMFYQVQCLYLRD-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1CCCCC(=O)NN	1914253809	COKWEMCLRXEHEI-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
COCC[S@](C)(=O)=N[C@@H](C)CC(=O)NN	1918071337	DNMOBNQJVXCNLB-ZIDLFYJRSA-N	237.325	-0.501	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COC[C@@H]1CO	1928735178	IEQMHACCCXHNQK-WDSKDSINSA-N	229.685	-0.891	50	10	BBGE	
C[C@@]1(C(=O)NNC(N)=S)CC1(F)F	1933068746	XRICICHEIFYEKY-YFKPBYRVSA-N	209.221	-0.104	50	10	BBGE	
CN(C[C@@H](O)C1CC1)C[C@@H]1C[C@H]1C(=O)NN	1936087803	GUGWEVZUPQKNEL-IVZWLZJFSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)CC1(C(=O)NN)CC1	1938230274	GSWDAVCAKWQCCG-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)CCCOC[C@H]1COCCCO1	1939100335	GWYRQDKSPXABPB-VIFPVBQESA-N	232.280	-0.421	50	10	BBGE	
CN(Cc1nccn1C)CC(F)(F)C(=O)NN	1940868834	WXSKVGDAYIHCPI-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
CO[C@H]1CCN(CCOCC(=O)NN)[C@@H](C)C1	1941784901	WLTAPGBDEQHESJ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H](O)[C@H](F)C1	1944307223	HIGKTDHWNARXRR-SFYZADRCSA-N	243.238	-0.602	50	10	BBGE	
C=C1CON(Cc2ccc(C)c(B(O)O)c2)C1	1944607172	JHTKAOZHTSCOHH-UHFFFAOYSA-N	233.076	-0.022	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CC=CCO2)C1	1946044076	NLFPZMZKAAAYHB-UWVGGRQHSA-N	237.303	-0.357	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)C(C)(C)N=C=O	1951453571	GYHLFPUKFDVLRP-MRVPVSSYSA-N	248.304	-0.350	50	10	BBGE	
C[C@@H]([C@@H]1CC(=O)OC1=O)S(C)(=O)=O	1951529908	ZYYPLYRHJUXKSN-WHFBIAKZSA-N	206.219	-0.491	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2C[C@@H]2CCl)n1	1955099195	CGGMBPPSXJTQCK-RFZPGFLSSA-N	215.644	-0.433	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](C)CCC(=O)NN	1959517491	SHWWPJQTAKUAPI-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CC1(C)C	1961519308	IZKOAIMVBXSMJU-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
COC[C@H](O[C@H]1CO[C@@H](C)C1)C(=O)NN	1961628865	MEENZNQPUDBPGG-RNJXMRFFSA-N	218.253	-0.815	50	10	BBGE	
O=C(Nc1ncccn1)c1cccc(B(O)O)c1	1968234194	ZKFLSFCXRMLFEC-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C[C@@H](Cl)c1nc(=N)[nH]c(=N[C@H]2C[C@H](O)C2)[nH]1	1976105410	GAMYQWCIHLYNFK-HSUXUTPPSA-N	243.698	-0.059	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]1CN(C)C	1976931510	ISURUGIJCDLJGI-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](O)CN(CC)CC1(C(=O)NN)CC1	1977878230	JBHXWDHABZTMAY-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CCCC1CN(c2ncc(B(O)O)cn2)C1	1981415625	GXHCOSDXFOCNKU-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cccnc1OCCOC1CC1	1981429495	DZXVMIDRLVZHIH-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
O=C1NCC2(CN(c3nnc(CCl)o3)C2)N1	1983847094	IIXJKNDAYZANFT-UHFFFAOYSA-N	243.654	-0.320	50	10	BBGE	
CC1(CF)CN(c2ccncc2B(O)O)C1	1984009665	MUMQEGGUCCDYQS-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1COC2(CCCC2)C1	1984300577	KCKWSELDZQICFB-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
C[C@H](CN1CC[C@]2(C1)C[C@@H](O)C2)C(=O)NN	1985676724	YFKOOFLLIYVPQU-KKZNHRDASA-N	227.308	-0.541	50	10	BBGE	
COc1ccc(COCCF)cc1B(O)O	1985995792	UPCHJXFDYBENCV-UHFFFAOYSA-N	228.028	-0.139	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@H]1CN2C)C(=O)NN	1987188142	UTPMSZXIRRGWPB-AEJSXWLSSA-N	226.324	-0.609	50	10	BBGE	
CO[C@H]1CC[C@H]1CCN(C)C(=O)C(=O)NN	1987263325	CCGPUMTWTRTUJS-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2CC1(C(=O)NN)CC1	1987560191	JTFLSWZQEQURNP-DTORHVGOSA-N	224.308	-0.855	50	10	BBGE	
C=C(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)B(O)O	1992146961	XWIFTJHRIQLKSI-DTWKUNHWSA-N	249.141	-0.692	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@@H]1CCCN2C)B(O)O	1992152705	HRIRTJXCQIJXEI-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3nc(B(O)O)cs3)C[C@H]12	1995063308	WYAQSZWAMMYQTP-GJMOJQLCSA-N	238.121	-0.085	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C[C@@H](C)O)C[C@@H](C)O	1997349119	ARUPIWOWSBVZDQ-OPRDCNLKSA-N	247.339	-0.791	50	10	BBGE	
CC[C@@H](C)CNC(=O)N[C@H](CB(O)O)C(=O)O	1998131132	RUEIIUKHCVOXNA-RNFRBKRXSA-N	246.072	-0.742	50	10	BBGE	
CC1CC(C)(C(=O)N[C@@H](CB(O)O)C(=O)O)C1	1998135466	OYZFYUCGMJGDBH-DSQUFTABSA-N	243.068	-0.535	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ncccc1B(O)O	1998449758	DTZQOTVDKJZXMX-QMSLJYSESA-N	234.064	-0.398	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](CO)[C@H](C)C1	2000981688	WXIGVHDKDJFRFE-PSASIEDQSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2CCCN2C1=O)C(=O)NN	2004267984	XNJIGGGGQFHDHS-RQJHMYQMSA-N	240.263	-0.961	50	10	BBGE	
C[C@@H]1C[C@@H](OCc2cc(C(=O)NN)no2)CO1	2004761172	GQKOCTKYPFVOJJ-RNFRBKRXSA-N	241.247	-0.028	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)C[C@@H]1F	2004917678	XSRWWKZRDWXKMO-WPRPVWTQSA-N	238.071	-0.054	50	10	BBGE	
Cc1nc(O[C@H]2COC[C@H]2C)ccc1B(O)O	2004925468	QSAFXQOHTQVAEE-XCBNKYQSSA-N	237.064	-0.516	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@H](C)COC	2004936138	VMNYEPNSHHFKPG-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
NNC(=O)C1(CN2CCC3(CC(O)C3)C2)CC1	2005806390	HZPHFWJCKONYCJ-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
CN(Cc1cncnc1)CC1(C(=O)NN)CC1	2009050759	RAELYCHLLFCFSK-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	2010993947	AEJLCBGSOMPNTR-LMLFDSFASA-N	241.335	-0.439	50	10	BBGE	
COC(=O)NCC1CN([C@@H](C)CC(=O)NN)C1	2014046714	RFFSOYRPSSJBGY-ZETCQYMHSA-N	244.295	-0.957	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@]1(C)CCCO1	2019179443	QUMBXIHGADMIRQ-LLVKDONJSA-N	243.307	-0.345	50	10	BBGE	
O=C(Nc1nncs1)c1ccccc1B(O)O	2022195815	BIKYCQIKZFMGJE-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccccc1B(O)O	2022196732	QRUPXIXLXGIGPB-UHFFFAOYSA-N	239.055	-0.156	50	10	BBGE	
CC1(C)C[C@H]1CC(=O)Nc1ncc(B(O)O)cn1	2040762956	KICDMHFAHRJMQF-SSDOTTSWSA-N	249.079	-0.469	50	10	BBGE	
OB(O)c1cnccc1N1CCN2CCC[C@H]2C1	2052486752	HXLXLNHTUZJWRU-JTQLQIEISA-N	247.107	-0.954	50	10	BBGE	
OB(O)c1cncnc1-n1ncc2ccccc21	2052602644	LFUKZVHQWLMXTN-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
COc1cc(B(O)O)cc(Cl)c1[N+](=O)[O-]	2060014560	OADBIOXERKSUHD-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
Cc1ccc(OCC2[C@H]3COC[C@H]23)c(B(O)O)c1	2068638377	DVWDTVWJSJNFKQ-UWVGGRQHSA-N	248.087	-0.054	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	2069653400	GCZIKDAWIMZDFL-IUCAKERBSA-N	249.075	-0.413	50	10	BBGE	
OB(O)c1cc(CN2O[C@H]3C=C[C@H]2C3)ccc1F	2078465896	VOFFRAKYLIMVDC-UWVGGRQHSA-N	249.050	-0.050	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CC[C@H]21	2079008826	NHMSAOFWMKLNRM-BXKDBHETSA-N	245.087	-0.009	50	10	BBGE	
O=C(Nc1ccncn1)c1ccc(B(O)O)cc1	2079012704	YIESCIYGXGWEQZ-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
NNC(=O)C1(CN2Cc3cc(O)nnc3C2)CC1	2085237570	SEFDUUKADBZRSO-UHFFFAOYSA-N	249.274	-0.732	50	10	BBGE	
CCN(Cc1cscc1B(O)O)OC	2209702624	KGZREWGWGBRJRC-UHFFFAOYSA-N	215.083	-0.189	50	10	BBGE	
OB(O)c1ccc(N2CC=C(F)CC2)nc1	2212600480	CVYWMBBQLHLADP-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
OB(O)c1ccc(NC2C[C@H]3C[C@@H]3C2)nc1	2212600592	DONFPKKDFMCKAW-HTQZYQBOSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CCSC2)[nH]c1	2212603517	OZXDCHDRZLRTHI-QMMMGPOBSA-N	238.121	-0.652	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNc1ncc(B(O)O)cn1	2212603665	IHYHJRMQVJETCC-QMSLJYSESA-N	221.069	-0.530	50	10	BBGE	
CC1(Nc2cc(B(O)O)ccn2)CC(O)C1	2212616108	ZWUIWMMKRJNMEO-UHFFFAOYSA-N	222.053	-0.913	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@H]1CC[C@@H]1N	2214593757	XJEJHZGOAMEXMM-NWDGAFQWSA-N	234.108	-0.712	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)CCC12CC2	2214779916	HFZKLJRAWNMAKY-KXUCPTDWSA-N	239.319	-0.398	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CC1(C(=O)NN)CCC1	2216490833	JZPQMXUDDANHLV-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)nc1	2216612685	MRUZJMKUOMBFKP-KCJUWKMLSA-N	236.055	-0.300	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H](CF)C2)c1	2217173736	UDJDISIJVOLGQU-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
CC[C@](C)(CO)Nc1cc(B(O)O)c(C)cn1	2217183580	LZSKJPPILCUTQF-LLVKDONJSA-N	238.096	-0.357	50	10	BBGE	
CN[C@H](C)C(C)(C)Oc1ncccc1B(O)O	2217183757	KVJCPIXLQCBDLJ-MRVPVSSYSA-N	238.096	-0.473	50	10	BBGE	
OC[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2217198068	VYXFSIFPZDPXCY-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
CCC[C@H](CCO)Nc1ccc(B(O)O)cn1	2217202050	UKHXTQXQMGOTOQ-SNVBAGLBSA-N	238.096	-0.276	50	10	BBGE	
CN(C)CCC1CN(c2cc(B(O)O)ccn2)C1	2223632980	QGVDOYGHZGAGEE-UHFFFAOYSA-N	249.123	-0.851	50	10	BBGE	
Cc1cnc(N[C@H]2CNC[C@H](C)C2)cc1B(O)O	2223646916	QXWNVBXQYSDMQL-PSASIEDQSA-N	249.123	-0.520	50	10	BBGE	
CCN(C[C@H]1CCCN1)c1ncccc1B(O)O	2223667333	RHHYNZXISZMFHZ-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
CNNC(=O)[C@H]1C[C@H](S(C)(=O)=O)C1	2241663759	IZYRJQNRTQPWAV-IZLXSQMJSA-N	206.267	-0.940	50	10	BBGE	
Cc1nsc(CN(C)CC(=O)NN)n1	2242131942	HNCNHCISSDNKRB-UHFFFAOYSA-N	215.282	-0.732	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2C[C@H]2C)n1	2243085164	GNSXBZSRLULCFK-HTRCEHHLSA-N	223.037	-0.443	50	10	BBGE	
COCCCN(C)C(=O)C1(B(O)O)CCC1	2243348120	UDRBKHDCVIUCIU-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1CC(N)C1	2243358309	FGIRVCZOZNTYCT-UHFFFAOYSA-N	226.085	-0.668	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccccc21	2243362372	PWXVQWLLOQWNGY-UHFFFAOYSA-N	215.017	-0.409	50	10	BBGE	
CCON(CC)C(=O)c1ccc(B(O)O)s1	2243362827	XBDJIVWERFNCLQ-UHFFFAOYSA-N	243.093	-0.159	50	10	BBGE	
CONCCCNC(=O)C1(B(O)O)CCC1	2243365223	JSSJSXWIJSHTQH-UHFFFAOYSA-N	230.073	-0.959	50	10	BBGE	
Cc1cc(C(=O)N2CCOC2)sc1B(O)O	2243366959	LAQAPFGSXYRHSH-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
C[C@H]1COC(C)(C)CN1C(=O)C#CB(O)O	2243710137	DTUDRLZXDSUWFX-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
CP(C)(=O)CNC(=O)c1cocc1B(O)O	2244213184	BAGKSXVGTNKZJT-UHFFFAOYSA-N	244.980	-0.731	50	10	BBGE	
C=C[C@@H](C)CCN=c1cc(B(O)O)cc[nH]1	2245058434	QQRWWQVWEFYAHT-SECBINFHSA-N	220.081	-0.193	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1ccoc1B(O)O	2247744718	XFNUMVLCMCYWEE-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
CC[C@@H]1CC[C@@H](CN(C)C(=O)C#CB(O)O)O1	2247746774	DGTAOENYBAOROB-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
O=C(N1CCC[C@@H](CCO)C1)C1(B(O)O)CC1	2247753862	KDHFFCBLKCWBRF-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1n[nH]cc1B(O)O	2247784572	XJCQEMXDLSXQRI-UHFFFAOYSA-N	237.068	-0.969	50	10	BBGE	
CCn1cnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247793229	WOHRLXWXQHUIRV-RKDXNWHRSA-N	237.068	-0.618	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800696	ROXYAXPFEUUOFP-UTINFBMNSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](CO)C12CC2	2247807675	IRETWIWRWTURIV-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
O=C(NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@@H]1C[C@H]1B(O)O	2247809796	RKMJTIIISHWKRJ-IMUCNDEHSA-N	235.092	-0.133	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@H]1CC1(C)C	2247853286	JKBCRHXLDJLYPK-QMMMGPOBSA-N	237.064	-0.170	50	10	BBGE	
C=CCONC(=O)c1ccc(B(O)O)cc1C	2247859293	LQEDRXSGLMOFPX-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1cncc(B(O)O)c1	2247874386	LLEMYFQGPGHVKX-XCBNKYQSSA-N	234.064	-0.758	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)C1CCCC1	2247879806	XSMZRBVBJFJTTF-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CO	2247886306	ALUKKBBRPOEPCF-IWSPIJDZSA-N	241.096	-0.674	50	10	BBGE	
O=C(Nc1cccnc1)c1sncc1B(O)O	2247895513	AGIHKGLFDAJRRF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)[C@H]1C[C@@H](B(O)O)C1	2247909773	LMLMYNIBAKVTSX-JDDHQFAOSA-N	239.080	-0.610	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1(C(=O)O)CCC1	2248588763	HVGVSKHQSVUPJS-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]2C[C@H]21	2249426885	AZJGBJGPQXDXII-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(F)cc1	2250004608	MXPAFKUIAFDQPJ-UHFFFAOYSA-N	235.023	-0.039	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccncc1B(O)O	2255444377	KRBJMQVGVJIXPK-SECBINFHSA-N	246.075	-0.707	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@H]1c1cc[nH]n1	2255468203	XJEBEVYZGGCZFH-SNVBAGLBSA-N	247.063	-0.521	50	10	BBGE	
C#CCCN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2255475576	ZOSRLMOAEMWVMI-UHFFFAOYSA-N	246.075	-0.678	50	10	BBGE	
O=C(NCC1CC2(CC2)C1)c1n[nH]cc1B(O)O	2255548583	NBYAFDNBSQBOCO-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
Cc1cc(CNC(=O)c2ccc(B(O)O)o2)co1	2255671475	RLGLATDLEMNEFW-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C1CCCC1	2255717988	SBPXWSGCQYSTAO-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1occc1B(O)O	2255742884	LMXJPTGMZXUOPF-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1nccc(C)c1B(O)O	2255784219	CWCIFMSAGKQTAG-SECBINFHSA-N	248.091	-0.236	50	10	BBGE	
Cc1cc(C(=O)N2CCC3(CC3)C2)oc1B(O)O	2255789348	FRONMTXIELEAGJ-UHFFFAOYSA-N	249.075	-0.106	50	10	BBGE	
CCN(C(=O)c1ccc(B(O)O)cc1O)C1CC1	2255935154	BVDBTCLZMPNXKZ-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
C#CCCC(=O)N(C)Cc1cccc(B(O)O)c1	2256597781	JXXOMWHNRDXVOM-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1[C@H]2CC[C@H]12	2257491723	PISHTHSUJDARMG-IUCAKERBSA-N	246.075	-0.792	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1C[C@@H]2C[C@@H]2C1	2258151564	QXBRTPMGKXQVMW-MBTKJCJQSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1B(O)O	2264100306	VTGSAATYMZXVLB-MWLCHTKSSA-N	247.103	-0.053	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298369895	IKCZMGUQMZVXPJ-DJLDLDEBSA-N	241.096	-0.219	50	10	BBGE	
C[C@@](NC(=O)[C@@H]1C[C@H]1B(O)O)(C(=O)O)C1CC1	2298463587	MYFDSQVSYBTBLH-XSSZXYGBSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](C(=O)O)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298463726	YPFXKSVSIQIDRB-ARDNSNSESA-N	241.052	-0.687	50	10	BBGE	
C[C@@H](CCO)Nc1ccc(B(O)O)cc1C#N	2301339737	WOQWZPJPGQQZAA-QMMMGPOBSA-N	234.064	-0.579	50	10	BBGE	
CCN1CCO[C@H](CN2CC[C@@H](B(O)O)C2)C1	2303098830	HLUPSKRVUJITAJ-MNOVXSKESA-N	242.128	-0.744	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CCCOC2)C1	2303104895	MNBJIRMYGSCNKX-GXSJLCMTSA-N	241.096	-0.122	50	10	BBGE	
C[C@H]1C[C@H]2C[C@](C(=O)NCC#CB(O)O)(C2)O1	2303187925	JKLVSSBSOBHIHA-ATZCPNFKSA-N	237.064	-0.924	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1C[C@@H]2O)C(=O)NN	2303426512	OUIQPQATKGWLJC-FYLLDIAZSA-N	241.335	-0.152	50	10	BBGE	
COC(=O)NC1CN([C@H](C)[C@H](C)C(=O)NN)C1	2306925845	YYEBQIUCPAEYJD-NKWVEPMBSA-N	244.295	-0.959	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCC1(N)CCC1	2317161207	BVZMJNGIQLIOMA-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
C[C@]1(CNc2ccc(B(O)O)cn2)CC=CCO1	2317899391	VRVHXUKEEGNLIR-GFCCVEGCSA-N	248.091	-0.092	50	10	BBGE	
OB(O)c1cc(OCc2ccncc2)ncc1F	2320816355	ZZPPABIADSSEMU-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCCNC(=O)C(C#N)=CN(C=O)CCCN	2324224505	WBPWJIVMRFAKOA-UHFFFAOYSA-N	238.291	-0.273	50	10	BBGE	
C[C@H](NS(=O)(=O)N(C)C)C(=O)Cl	11892985	FBZGZABETFHGQQ-BYPYZUCNSA-N	214.674	-0.464	50	10	BBGE	
C[C@H]1CCCN(S(=O)(=O)CCC(=O)NN)C1	41303669	SGZBTXYWAIWCIK-QMMMGPOBSA-N	249.336	-0.572	50	10	BBGE	
C[C@@H]1CN(C(=O)C(=O)NN)C[C@@H](C)S1	69910272	NSKXFKQJHMUALL-PHDIDXHHSA-N	217.294	-0.671	50	10	BBGE	
CC(C)(Cn1ncccc1=O)C(=O)NN	86598171	WPDMYWBDXLDBEQ-UHFFFAOYSA-N	210.237	-0.741	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cnc(C#N)c1C#N	156314239	JPKNOIWSUDWFGV-SECBINFHSA-N	232.247	-0.187	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NC[C@H](C)O	216974636	SLBYYXVOHUMBBI-FZGDARCMSA-N	211.265	-0.110	50	10	BBGE	
NC(=O)[C@@H](O)CNC(=O)CCCCCl	228652430	GTSTZHMQGBHYDH-LURJTMIESA-N	222.672	-0.642	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)O[C@@H](CO)C1	230057869	VSXWWQGAXDUEDD-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	234831632	VWKZNRWNFHHWPG-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	234841338	UKJJRRHVCWKCML-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCCN2C[C@H]1C	251199285	GDZYUBXKQCJUAD-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
CCS(=O)(=O)C1=NC=C(C#N)S1(=O)=O	259956166	FYZOBFSPAFRDPD-UHFFFAOYSA-N	234.258	-0.430	50	10	BBGE	
N#CC1=C(C(=O)NC2CCC2)S(=O)(=O)N=C1	260179045	OFLBMSDVNQZXBQ-UHFFFAOYSA-N	239.256	-0.153	50	10	BBGE	
CC[C@H]1CN([C@H](COC)C(=O)NN)CCS1	299999919	YGLOEXYBLIXYOR-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CN(CCOCCCl)c1nnnn1C	300940500	DLZZSFDDQDJQFE-UHFFFAOYSA-N	219.676	-0.098	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@H](C)CC(=O)NN	308838091	XCSUVDBPFIDHNS-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](Cl)c1nc(N)nc(NOCC(N)=O)n1	309343997	YCBNMNCUSDONII-VKHMYHEASA-N	246.658	-0.418	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1	309830591	CJOQWMANXBKNJM-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1nncn1C	380560149	LWKYHDDEHPGRKZ-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](CC)CO	382104862	PIXPSAKUSWKTHE-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H](O)[C@H]1C	384978056	YURGDEGJGVENBS-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
NC(=O)NN=Cc1cc(O)nc(S)n1	388979093	LHZXWEDAEVVGRP-UHFFFAOYSA-N	213.222	-0.527	50	10	BBGE	
COCOc1ccc(B(O)O)c(C#N)c1	389701299	SEGCTVYXJGGGDC-UHFFFAOYSA-N	206.994	-0.779	50	10	BBGE	
CC(C)(CCN1CCOC[C@@H]1CO)C(=O)NN	395619971	VEGZNZJTCFGRBC-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1C=O	396055984	LDOPRUVZKVQZPF-UHFFFAOYSA-N	203.006	-0.365	50	10	BBGE	
Nc1cc(CO)c2cc(B(O)O)sc2c1	396255253	XNMLSKSYCROYRH-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CCOCC(=O)Nc1cc(C)ccc1B(O)O	404984996	NGHOGBAYFQVMBU-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)Nc2ccccc2B(O)O)CO1	404992862	DEJAMOCXENPULJ-BDAKNGLRSA-N	249.075	-0.270	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)[C@@H]1CCCO1	404997037	IJXQLMHNPWPRSL-NSHDSACASA-N	249.075	-0.208	50	10	BBGE	
COCCC(=O)Nc1cc(C)cc(B(O)O)c1	405047592	FSUCZPPMUOGEKO-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
C#CCN(CC#C)[C@@H](C)C(=O)NNC(=O)CC	491743722	WQXVDGCKDAMKEB-JTQLQIEISA-N	235.287	-0.499	50	10	BBGE	
C[C@H]1C[C@@H](C)N1C(=O)c1cccc(B(O)O)c1	584985897	RYXXKRONPBUOBJ-DTORHVGOSA-N	233.076	-0.011	50	10	BBGE	
NNC(=O)N1CCO[C@H](C(F)(F)F)C1	606283420	XNLKQUMWFAYYIX-BYPYZUCNSA-N	213.159	-0.167	50	10	BBGE	
CN(C)NC(=O)C1=C(Cl)NC#CN1	642865841	BEDVEOLBXUMILA-UHFFFAOYSA-N	200.629	-0.902	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2nccn2C)c1	690904312	MIXPLQWGGRZPCS-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C#CCNCC(=O)N1CCC(O)(C#N)CC1	692112174	CETTWQOUOODXIL-UHFFFAOYSA-N	221.260	-0.914	50	10	BBGE	
CC(C)N(C[C@H](C)O)[C@H](C)C(=O)NN	692171151	AVDHBWZFJCIJCG-JGVFFNPUSA-N	203.286	-0.544	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(C#N)C1	693997481	KVYDYUKWFVFSSQ-PSASIEDQSA-N	226.280	-0.773	50	10	BBGE	
OB(O)c1ccccc1CN1CC2(COC2)C1	697121108	OKFYSHYRRJOBMR-UHFFFAOYSA-N	233.076	-0.801	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](CO)C1	700399962	VTAXSKQUOVIRME-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1cnc(SC(F)(F)F)nc1	701714234	XQHRNOVKIQZPGM-UHFFFAOYSA-N	223.972	-0.232	50	10	BBGE	
CSc1ncccc1C(=O)NCB(O)O	702028823	HFXGFAPPOUMBQD-UHFFFAOYSA-N	226.066	-0.455	50	10	BBGE	
COC[C@@](C)(O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703425346	SDOGQVGTNROJBM-LAEOZQHASA-N	243.259	-0.700	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)C[C@H]1C)C(=O)NN	706113242	BCTNIEFWVJRMAR-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707277612	CIIRDHLEZOKNOD-SCZZXKLOSA-N	213.281	-0.523	50	10	BBGE	
CCC[C@]1(O)CCCN([C@H](C)C(=O)NN)C1	710196598	PNFQWIRFPPJZGT-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)OCCl	717368967	XLKBWLYLFREGSV-ZCFIWIBFSA-N	210.661	-0.169	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(CCCCC(=O)NN)C2	723681135	XMOULLZBUPYWPB-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
C[C@H]1CC(CNC(=O)C(=O)NN)C[C@H](C)O1	724477720	YNMZZUCVJBVSGC-BQBZGAKWSA-N	229.280	-0.704	50	10	BBGE	
O[C@H](CCl)CN1CC[C@H](O)[C@@H](F)C1	725646871	YDFIUJUQLQMGLA-CSMHCCOUSA-N	211.664	-0.009	50	10	BBGE	
NC(=O)C(=O)NN=CCc1ccc(F)cc1	759180775	UGMYQSVZMIOKIR-UHFFFAOYSA-N	223.207	-0.045	50	10	BBGE	
CCc1n[nH]cc1C(=O)NNC(=O)C(C)(C)O	768262433	WOGMLDKUWPSWAW-UHFFFAOYSA-N	240.263	-0.496	50	10	BBGE	
C[C@H](NS(=O)(=O)CBr)[C@@H](C)N	850587994	QRAFMAWHGGYFBV-UHNVWZDZSA-N	245.142	-0.006	50	10	BBGE	
COCCC(=O)NNc1nnc(C)n1C	856048533	GCFQGQJZKUFEPT-UHFFFAOYSA-N	213.241	-0.397	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@H]2C[C@H]21	857171590	YSNGFRABBBKNCY-XLPZGREQSA-N	212.249	-0.438	50	10	BBGE	
C[C@H](C(=O)NN(C)C(N)=O)[C@@H]1CCCO1	907187170	NWXICYDXVFONFP-BQBZGAKWSA-N	215.253	-0.157	50	10	BBGE	
COCC(=O)NN=Cc1cn(C)nc1C	1084295513	DREAHENRRJYFJN-UHFFFAOYSA-N	210.237	-0.175	50	10	BBGE	
CNC(=O)NNC(=O)c1nccnc1Cl	1142142074	JKMRDVYFDBIOQG-UHFFFAOYSA-N	229.627	-0.296	50	10	BBGE	
C[C@@H]1CNC(=O)CN1S(=O)(=O)CCl	1260932514	YJTJQANGBMAKJT-RXMQYKEDSA-N	226.685	-0.667	50	10	BBGE	
O=C(NNC(=O)c1cn2c(n1)CCC2)NC1CC1	1261498343	BPORTMJQDUSZMA-UHFFFAOYSA-N	249.274	-0.064	50	10	BBGE	
N#CC1(C(=O)NNc2nc[nH]n2)CCOCC1	1457839312	YXQUJSSPHQPNHV-UHFFFAOYSA-N	236.235	-0.432	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1ccc(C)o1	1465592331	ZGKPELKQTRAPBP-UHFFFAOYSA-N	224.216	-0.102	50	10	BBGE	
N#CCCCC(=O)NNC(=O)c1cccnn1	1533766524	NVRZZYYLWLUCAE-UHFFFAOYSA-N	233.231	-0.069	50	10	BBGE	
CCONC(=O)c1cccc(B(O)O)c1	1540568218	SNAQIEOHXOVUNO-UHFFFAOYSA-N	209.010	-0.952	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNc1ncccn1	1543285191	TYLVOESEBKPNHW-ZETCQYMHSA-N	236.231	-0.127	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNC(=O)C1CCC1	1543355962	VQLZHAKEBXQSCH-SREVYHEPSA-N	239.275	-0.422	50	10	BBGE	
O=C(NNc1ccccc1)C1(O)COC1	1623558973	OSXUGFIAXIBKGX-UHFFFAOYSA-N	208.217	-0.109	50	10	BBGE	
N#Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)co1	1628421952	OXOHXYPSBQIKPE-UHFFFAOYSA-N	246.186	-0.656	50	10	BBGE	
CCN(CCO)NC(=O)COc1ccsn1	1631047900	RYVYLCFPPUYCQC-UHFFFAOYSA-N	245.304	-0.133	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNc1cccnn1	1631347265	ODMFAXWDAYOBTE-ZETCQYMHSA-N	236.231	-0.127	50	10	BBGE	
C[C@H](CCl)C(=O)NCC[C@@H](O)CO	1882383011	GXAVWLDMHQGYRG-RNFRBKRXSA-N	209.673	-0.279	50	10	BBGE	
C[C@@H](Cl)CC(=O)NC1(CO)COC1	1882927085	CVOLNGYQWHUPBU-ZCFIWIBFSA-N	207.657	-0.119	50	10	BBGE	
NC(=O)C1CN(C(=O)[C@H]2C[C@@H]2Br)C1	1883530690	GAROZZCDZMCSGT-WDSKDSINSA-N	247.092	-0.287	50	10	BBGE	
CO[C@H](CN)C(=O)NC[C@@H]1C[C@H]1Cl	1883554958	WQKPAXWHAAOFMQ-RRKCRQDMSA-N	206.673	-0.296	50	10	BBGE	
C[C@H](Cl)C(=O)[C@H](N)C1CS(=O)(=O)C1	1883675276	MSNNHAUGIAXATF-UJURSFKZSA-N	225.697	-0.445	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2NC(=O)O[C@@H]2C1	1884553575	JVHSYQUSLOZWLB-NGJCXOISSA-N	218.640	-0.067	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CC2)C1=O	1894137077	ZBAVJYWSRNCBQS-ZETCQYMHSA-N	226.280	-0.345	50	10	BBGE	
CO[C@@H]1CC(O[C@H](C)C(=O)NN)C[C@H]1OC	1894807120	QMOIRRQIEHATRL-FTLITQJKSA-N	232.280	-0.426	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1895207634	IXCHJGVQFATPDR-OKNNCHMLSA-N	223.276	-0.378	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1SC1COC1	1901205547	VJOWKKAPRKLVFD-UHFFFAOYSA-N	235.073	-0.271	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C#CC(C)(C)N	1901377526	PKXHEPAJDOJNFP-UHFFFAOYSA-N	247.320	-0.960	50	10	BBGE	
O=S1(=O)CCC[C@H]1CN1CC[C@@H](B(O)O)C1	1902513012	OVLDCKIUQODKPU-BDAKNGLRSA-N	247.125	-0.888	50	10	BBGE	
Cn1cnc(CN2CC[C@@](C)(B(O)O)C2)n1	1902544033	ADFMNRHOWISQST-SECBINFHSA-N	224.073	-0.746	50	10	BBGE	
C[C@H](Cn1cnc2c(N)ncnc21)C(=O)NN	1912214015	COLPWXQLFASLHP-RXMQYKEDSA-N	235.251	-0.966	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914023265	RQVINAJVTMWACA-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C=C(OC)C(=O)NNC(=O)C(F)(F)F	1923403585	LEZWREWBDQRHLS-UHFFFAOYSA-N	212.127	-0.144	50	10	BBGE	
CCC[C@H]1CCN1[C@H](COC)C(=O)NN	1927992109	MMNHZKKHTHQKRY-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@@]1(OCCNC(=O)NN)CCOC1	1928485117	MLXVCLMQMAEUJC-MRVPVSSYSA-N	203.242	-0.645	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NNC(N)=S	1931775632	NPAFHFOQGXTTES-LURJTMIESA-N	219.310	-0.087	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NNC(N)=S)C[C@@H]12	1935502732	WQGIPWVOUBQBFZ-CPDSJTNBSA-N	215.278	-0.724	50	10	BBGE	
C[C@]1(C#N)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936095491	XQGMVNRMMCWLAY-IQJOONFLSA-N	222.292	-0.152	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)S1	1936533487	IAYMUWHSTOKLFM-DTORHVGOSA-N	247.364	-0.181	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)C(C)(C)CO	1938232152	HSRASUWHFIUKFD-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
Cc1cc(=O)n(CC2(C(=O)NN)CC2)cn1	1938258518	INIIWPJKYMBGJA-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
CN1CCC(NC(=O)CCCl)(C(N)=O)CC1	1939283455	ACDUMFOMMPUODB-UHFFFAOYSA-N	247.726	-0.319	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC(=O)O1	1940622515	ZIZJHYPQYOHDIS-YVMHYEQRSA-N	237.255	-0.205	50	10	BBGE	
CC(C)(CN1C[C@H](CO)C2(CC2)C1)C(=O)NN	1940645108	OVZQFEWLLLLDED-SECBINFHSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@H]3CC[C@H]3C2)O1	1940670755	MCJQVYDPKKKGMA-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
CN1CC[C@H](CN(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1941086473	IUPYOHBZJYSYIT-DCAQKATOSA-N	240.351	-0.504	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(OC(=O)N(C)C)C1	1942664532	XOTMEZNYMNEDGN-MRVPVSSYSA-N	244.295	-0.863	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@]1(N)CCS(=O)(=O)C1	1954079322	WEVSHCDZEUJSEP-VDTYLAMSSA-N	225.697	-0.301	50	10	BBGE	
C[C@H](O)[C@H]1CN(C(=O)CCl)CCO1	1954189967	SBNSLSKYDOCVFF-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1CCl)C1CS(=O)(=O)C1	1955094410	CMSIXZWWQDERNG-CAHLUQPWSA-N	237.708	-0.226	50	10	BBGE	
CCCC(C)(C)CNC(=O)C(=O)NN	1955265067	YNQQGEFJEYLHDA-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)C(=O)NN	1958447098	YIGUMNAETGEDPE-SPFKKGSWSA-N	209.293	-0.047	50	10	BBGE	
C[C@H](CN(C)Cc1cocn1)C(=O)NN	1958692404	LGXVGRBLHGVKOM-SSDOTTSWSA-N	212.253	-0.268	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C[C@@H](O)CCl	1960163096	JMVVFNXRCVSEPX-NKWVEPMBSA-N	234.683	-0.677	50	10	BBGE	
C[C@@H](N=[S@](C)(=O)N1CCCC1)C(=O)NN	1960619010	UGTKQHRTAWXVJK-MLXNANBUSA-N	234.325	-0.527	50	10	BBGE	
COCc1nccn1Cc1ccc(B(O)O)cc1	1962722998	MRGZRRGSMAISCR-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
O=C1NCC2(CN(C(=O)C3CC(Cl)C3)C2)N1	1972308312	NTXVPGGENBAKEI-UHFFFAOYSA-N	243.694	-0.102	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F	1973853731	JLSMJTPVENAHCP-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(C[S@@](C)=O)C1	1979480515	ROIQJOCUGZRPRJ-XXFAHNHDSA-N	247.364	-0.689	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnsn1	1979643253	JYYSDYBFDRLCDV-RNFRBKRXSA-N	243.336	-0.016	50	10	BBGE	
CC1(C)C[C@@H](OCCOCC(=O)NN)CO1	1981314737	YRSDLDZDYHJBRK-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
Cc1nc(OCC(C)(F)F)ncc1B(O)O	1981423586	GKEHUDHOEXMDLH-UHFFFAOYSA-N	231.995	-0.501	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC3(CC3)C2)n1	1981448014	WFZLCENBGOCQDG-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
COCCN(C)c1nc(C)ccc1B(O)O	1981469104	MTIORFHOYCEKRR-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
CN(CCOCC(=O)NN)CC1(F)CCC1	1983902877	GIDPHJZPVBHODC-UHFFFAOYSA-N	233.287	-0.183	50	10	BBGE	
CC1(CF)CN(c2ncccc2B(O)O)C1	1984009664	MUFLEZDKLVAWIX-UHFFFAOYSA-N	224.044	-0.443	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1984193525	UWROUZYIIUNSHO-AATLWQCWSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cc(C(=O)NN)cs1	1985738486	ANPMPQWLZQNYMY-MUWHJKNJSA-N	241.316	-0.083	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC(C)(C)C(=O)NN	1990039561	RUVPELHBNYKUPU-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](C)[C@@H]1C	1990774802	NKISYAZLQJJXAR-YUMQZZPRSA-N	229.280	-0.737	50	10	BBGE	
CC[C@]1(C(=O)NCC=CB(O)O)CCCO1	1991328818	GMXQVFMNKIUENJ-SNVBAGLBSA-N	227.069	-0.370	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CCSC1	1991330983	NOWRHZRODPCPDK-VXNVDRBHSA-N	241.121	-0.044	50	10	BBGE	
NNC(=O)COCCO[C@@H]1CCOC[C@H]1F	1991733009	ZNFOCKWSTXNQRE-HTQZYQBOSA-N	236.243	-0.864	50	10	BBGE	
CO[C@@H]1CN(CCCC(=O)NN)[C@H]2COC[C@H]12	1996485437	SBPXUGPHZQNRSX-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
COC[C@]1(C)COCCN1C[C@@H](C)C(=O)NN	2002849895	GGTLQPDUUAOONK-MWLCHTKSSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)CC[C@H]1C	2004912324	RHEJAAMLPYNXNC-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
CC1(C)[C@H]2CN(c3ncncc3B(O)O)C[C@H]21	2004917985	YWLWNEUDCPLTCU-OCAPTIKFSA-N	233.080	-0.751	50	10	BBGE	
Cc1cnc(O[C@]2(C)CCOC2)c(B(O)O)c1	2004924541	DAHVZGXHLOAVDQ-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1ncn(C)n1	2008806558	AEVGKUVCZHIQGZ-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1CCOCC(=O)NN	2011349997	XSNBERNHAKJMCI-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H]1CF	2016765917	ZHETYJFMPDEFAX-RQJHMYQMSA-N	238.027	-0.695	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)CC(=O)NNC(C)=O)C1	2019175340	AVKKWXGBBIENQX-ZJUUUORDSA-N	243.307	-0.347	50	10	BBGE	
COC[C@H](C)OC(=O)N[C@@H]1CCC=C1B(O)O	2020063137	WCNLWLQWKKBJID-IONNQARKSA-N	243.068	-0.152	50	10	BBGE	
CO[C@@H](C(=O)N[C@H]1CCC=C1B(O)O)C1CC1	2020068033	NMSSTRZTRXRPFN-VHSXEESVSA-N	239.080	-0.372	50	10	BBGE	
C=C(CN1CCC[C@H]2CN(C)CC[C@H]21)B(O)O	2021157747	QFSNUYYWEMNUHH-NWDGAFQWSA-N	238.140	-0.029	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@H]2CCC[C@H]1COC2	2021404305	NBFXRTJWUINYQG-GUBZILKMSA-N	243.307	-0.755	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(C)c1B(O)O	2060380601	KWEZPKQDKGCSCX-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
CC(C)n1nc(Br)cc1B(O)O	2208979726	PJEAWKHCJRONJO-UHFFFAOYSA-N	232.874	-0.094	50	10	BBGE	
C[C@@H](N)CSCC1(C(=O)NN)CCOCC1	2212444280	GOUOSWUFQLUASK-MRVPVSSYSA-N	247.364	-0.147	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1ncccc1B(O)O	2212604876	SZBIDVBMAPGZOH-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
CCC=CCN=c1cc(B(O)O)c(C)c[nH]1	2212605127	YIFNVOABKPNSDF-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)C(C)(C)N	2212612962	KXTISWPTPPCLEX-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1cc(B(O)O)ccn1	2212613053	RBAPATUJYNOOBB-XCBNKYQSSA-N	225.028	-0.112	50	10	BBGE	
N[C@@H]1CCCN(Cc2cccc(B(O)O)c2)C1	2214597749	ZFRGXZNOASYJPH-GFCCVEGCSA-N	234.108	-0.711	50	10	BBGE	
C#C[C@H]1CCCN1Cc1cccc(B(O)O)c1	2214606421	WKDRATXXBKNNCU-ZDUSSCGKSA-N	229.088	-0.036	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)CCC12CC2	2214779918	HFZKLJRAWNMAKY-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
C[C@H]1CC[C@@H](N)CN1c1ncccc1B(O)O	2217178683	AHIDZZVQJDXXPO-DTWKUNHWSA-N	235.096	-0.923	50	10	BBGE	
CC(C)C[C@H](N)COc1cc(B(O)O)ccn1	2217186971	REMOMVJGMGSVHJ-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
NC[C@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217191215	RJQJIHUKHGXWOG-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
CC(C)N(CCCO)c1ncccc1B(O)O	2217202175	IVPVDJTTYXHHJW-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)Nc1ccccc1B(O)O	2220582417	GMCDZSZMNGUNFM-LDYMZIIASA-N	249.075	-0.270	50	10	BBGE	
C#CCCN(c1ncc(B(O)O)cn1)C1CCC1	2223648715	OVVYUJFSWFJENI-UHFFFAOYSA-N	245.091	-0.461	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@H]3CC[C@H]32)c1	2223664504	WGLAFDWNJRCIGK-OUAUKWLOSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H](c1cc(B(O)O)cs1)N(C)C=O	2241560265	RYMMGZVRULXBKY-LURJTMIESA-N	213.067	-0.423	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243357473	XGAZEJYWUAUQEE-SSDOTTSWSA-N	222.053	-0.611	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1ccoc1B(O)O	2243362633	UKPSCJYKYYTKCY-PHDIDXHHSA-N	221.021	-0.902	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)C1(B(O)O)CC1	2243363126	BJDUQRPAYCRGLP-UHFFFAOYSA-N	223.037	-0.325	50	10	BBGE	
O=C(NCC[C@H]1CCCO1)C1(B(O)O)CC1	2243363708	KXLUFQBKCYZBMR-MRVPVSSYSA-N	227.069	-0.321	50	10	BBGE	
C[C@]1(CN)CCN(C(=O)C2(B(O)O)CC2)C1	2243365426	MMYNTUXZZUJRIC-SECBINFHSA-N	226.085	-0.809	50	10	BBGE	
Cc1sc(C(=O)NC2CC2)c(C)c1B(O)O	2243381186	DCTVPPWJJCLGGD-UHFFFAOYSA-N	239.105	-0.063	50	10	BBGE	
C#CCN(CCF)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382922	SEZPDOXQCLHXGL-DTORHVGOSA-N	227.044	-0.329	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2243400926	JVQKPKHQFYVZQB-CDDJKKQXSA-N	219.049	-0.885	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243410709	GOCNCCXYNFHSNI-SECBINFHSA-N	221.065	-0.135	50	10	BBGE	
C=C1CCN(C(=O)c2csnc2B(O)O)C1	2243412461	NFKPHDHTTWEIOS-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
C=C(C)CCNC(=O)c1sncc1B(O)O	2243415471	VOUNEWAZWCMUKO-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(NC1CC1)c1cccc(Cl)c1B(O)O	2243508521	GJRCVIRKDKNHBV-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
CC#CC(=O)NCc1cc(C)c(B(O)O)s1	2243679121	SQWIIQGCKIMQOD-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
CN(C)CC#CCNC(=O)C1(B(O)O)CCC1	2247734936	WHRPVFVUHPJGMX-UHFFFAOYSA-N	238.096	-0.935	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C(F)F)C1CCCC1	2247736906	ACTCWMWKKHDRKU-VIFPVBQESA-N	245.034	-0.058	50	10	BBGE	
O=C(NC[C@@H]1NC[C@@H]2C[C@H]21)C1(B(O)O)CCC1	2247750391	IULQSEPCDKYXST-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1NCCN(C(=O)C2(B(O)O)CCC2)[C@@H]1C	2247753094	BKMWNZXVQJKCNE-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1CO)C1(B(O)O)CC1	2247753486	HPFJBIPGPLIKRX-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247758380	VCFKEQVDVLEPSF-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N(C1CCC1)C1COC1	2247809297	OTRCCXYRCWRBCA-ZJUUUORDSA-N	239.080	-0.371	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850819	UDPYVXRQYQMTKF-JGVFFNPUSA-N	236.080	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H](N2CCC2)C1	2247887426	OCWUNPHOKYMPEP-OPRDCNLKSA-N	238.096	-0.844	50	10	BBGE	
O=C(NCCc1cnoc1)[C@H]1C[C@@H](B(O)O)C1	2247895576	UCXNPCDFBRHMGB-DTORHVGOSA-N	238.052	-0.414	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247910398	OLGVXSCSBRNYTF-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248242921	NBNIYTJHZKVANV-VDTYLAMSSA-N	238.027	-0.505	50	10	BBGE	
O=C(NC1CCCNCCC1)C1(B(O)O)CC1	2248637022	HDZJVWXUCVLJML-UHFFFAOYSA-N	240.112	-0.358	50	10	BBGE	
OB(O)C1CCN(CC2COCCOC2)CC1	2249359902	ZEOUGKWZQRWNPJ-UHFFFAOYSA-N	243.112	-0.412	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC=C(F)CC1	2249424734	WZLQVSAGJGKEID-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccc(F)c1	2249999647	YCRCLVPRZQXYSX-UHFFFAOYSA-N	235.023	-0.039	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1c1ccc(B(O)O)cn1	2251008449	FRXYHCQVVAPWFK-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
O=C(C#CB(O)O)N(Cc1ccncc1)C1CC1	2255467342	LRFYFOFJZSYSIY-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
NC1(c2ccccc2NC(=O)C#CB(O)O)CC1	2255475511	YJHWGRFOGBZAAR-UHFFFAOYSA-N	244.059	-0.412	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1(C)COC1	2255512418	ZEFLOUQBYJOZQB-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2CC23CC3)c(B(O)O)c1	2255556892	WTRCVGZACJNNOX-SECBINFHSA-N	246.075	-0.648	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1cncc(B(O)O)c1	2255736159	HVWIANAIPHLFPK-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1c(C)cccc1B(O)O	2255736595	QIAIVNYDWMJWLT-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
C=CCN(C)C(=O)c1cc(OC)ccc1B(O)O	2255739379	JKPPMPBIGXEKLB-UHFFFAOYSA-N	249.075	-0.367	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1n[nH]cc1B(O)O	2255761053	AAFXHCZIYADLNI-SECBINFHSA-N	249.079	-0.874	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1nccnc1B(O)O	2256068439	AXFABCPPMGLODM-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
OB(O)c1cnc(OCc2cccnc2)c(F)c1	2264354425	HFTHASOXEGXMTM-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCO[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2298368907	BODQQQKAQWYBMX-UTLUCORTSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@@H]1C2)[C@H]1C[C@H]1B(O)O	2298370367	WZKNSJXQZBXHRU-WYOJIJJFSA-N	238.096	-0.892	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2COCC[C@H]21	2298371110	AEEXXYKWBBKPQI-SGIHWFKDSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H](O)[C@@H]2CC[C@H]21	2298371748	UIUBRULMSYXPKZ-IGORNWKESA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@@H]12)[C@H]1C[C@H]1B(O)O	2298377223	ISZYQPWNPBUHMW-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
O=Cc1ccc(O[C@@H]2CCOC2)cc1B(O)O	2301422912	MJBYCVDNMJWEAV-SNVBAGLBSA-N	236.032	-0.653	50	10	BBGE	
NCC1(CNc2cc(B(O)O)c(F)cn2)CC1	2303834909	NREIIIRJSDXXJF-UHFFFAOYSA-N	239.059	-0.949	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H](F)C2)oc1B(O)O	2307182280	JNMYMSSVHIWTIJ-LJGSYFOKSA-N	241.027	-0.502	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)ncc1B(O)O	2309538921	DNPZGJOILIBNTQ-DKIAZLNASA-N	245.091	-0.691	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](Nc3cc(B(O)O)ccn3)C[C@H]12	2312612156	DKCWLNVCAUEERJ-ASXGKARISA-N	247.107	-0.701	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@H]2COC[C@H]21	2317161170	BLOHRIBGIPNVCJ-JOYOIKCWSA-N	244.059	-0.927	50	10	BBGE	
CCC#CC(=O)N(C)Cc1ccc(B(O)O)cc1	2319237872	OWGSFKDDAGTTGK-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccccc1F	49533214	WSSXZOWITZHQMP-LURJTMIESA-N	225.223	-0.007	50	10	BBGE	
C[C@@H](CC(=O)NN)NCCCN(C)C	58838468	RGZRVRHCICHTCI-QMMMGPOBSA-N	202.302	-0.704	50	10	BBGE	
CC(C)N1CCN([C@H](C)CC(=O)NN)CC1	82467866	KEXMJESFQUGIJW-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
COC(=O)[C@H](O)CCNC(=O)CCl	83346050	JBFUXVQGTPGDQN-RXMQYKEDSA-N	209.629	-0.735	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@H](C(=O)NN)O2)C1	110603392	INQOEHWRTFTIKY-IWSPIJDZSA-N	241.291	-0.608	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@H]1CC(O)C2)C(=O)NN	118836005	QTLVWYCJMPMBKW-IUCAKERBSA-N	241.335	-0.010	50	10	BBGE	
COC(=O)[C@@H]1CC(=O)NN(C(=O)[C@@H](C)Cl)C1	170278072	OKWIISDLPSGYMF-PHDIDXHHSA-N	248.666	-0.334	50	10	BBGE	
O=C(Cn1cn[nH]c1=O)NNc1ccncc1	189039410	VBTVRXRCHZBXPW-UHFFFAOYSA-N	234.219	-0.890	50	10	BBGE	
Cc1ccc(=O)n(Cc2ccccc2B(O)O)n1	198969197	HZNNPXVXPYRDED-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
COC[C@H](C)Oc1cncc(B(O)O)c1	203524162	JCQOVLXVOPVQAO-ZETCQYMHSA-N	211.026	-0.825	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NCCNC1=O	211675675	FEDLNWBWMJUOFX-VOTSOKGWSA-N	209.205	-0.953	50	10	BBGE	
CS(=O)(=O)NCCCNC(=O)CCCl	230990882	VUXQVHJFQNYGEF-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
C[C@@H](CN(C)CC[C@@H](C)O)C(=O)NN	253020190	JQFJOAZTVBODJU-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CCC(=O)NN)C[C@H]1OC	300044762	FEFHMMHNOJILNA-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](Nc1nc(N)nc(CCl)n1)C(N)=O	307157857	RFKNWBSMWNVCHV-GSVOUGTGSA-N	230.659	-0.522	50	10	BBGE	
CCN1CCCN(C[C@@H](C)C(=O)NN)CC1	307853272	BVZXZEJDDZOZQF-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
CS(=O)(=O)C[C@H]1CCCN(C(=O)NN)C1	308997364	QETJXNHXGNVFNY-ZETCQYMHSA-N	235.309	-0.674	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C(C)(C)C	381980481	AWFNVBCIPGESCM-ZETCQYMHSA-N	203.286	-0.278	50	10	BBGE	
COC1(C)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	382610292	ZPSNBHNVZUWGJZ-BDAKNGLRSA-N	243.307	-0.755	50	10	BBGE	
COc1ccc2c(OC)c(B(O)O)cnc2c1	383822474	JEEANBMQDZQQLR-UHFFFAOYSA-N	233.032	-0.068	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(CC(C)(C)C(=O)NN)C[C@@H]21	384775414	PPXJTEQGJCIEHN-MYJAWHEDSA-N	240.351	-0.506	50	10	BBGE	
CN(C)C1CN([C@H](C(=O)NN)c2ccccc2)C1	394414051	ATOCDMCBSFMQLU-LBPRGKRZSA-N	248.330	-0.037	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOC[C@H]1CO	395601643	CJEOEJIXHRMWKE-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
O=C(O)CCc1ccc(F)c(B(O)O)c1	396022471	GWQYSGKDYRQDTD-UHFFFAOYSA-N	211.985	-0.477	50	10	BBGE	
Nc1cc2cc(B(O)O)c(CO)cc2s1	396244783	MFCLTAYJBYWGBF-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1c(CO)ccc2c(B(O)O)csc12	396255379	VBUIRTPHROTQQQ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
NNC(=O)c1ccc(CSCCC(N)=O)o1	399149334	DXHPEOSIRLXWGV-UHFFFAOYSA-N	243.288	-0.008	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C[C@@H](C)C(=O)NN)C1	401536244	KMCXRKQTSQSJAB-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CCCC(=O)NN)C1	401698183	LMBCJHUYIDNTFI-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1ccccc1B(O)O	404917788	QSBJWMQVZMTVHB-WPRPVWTQSA-N	233.076	-0.361	50	10	BBGE	
COCC(=O)Nc1ccc(Cl)c(B(O)O)c1	404921557	VNHUBWLOTNVFBO-UHFFFAOYSA-N	243.455	-0.395	50	10	BBGE	
Cn1ncc(Cl)c1C(=O)NNC(N)=S	606289298	RAUVUQZBBQCMAP-UHFFFAOYSA-N	233.684	-0.449	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CO[C@H](C2CC2)C1	691778787	IWICAKMBJSGNCN-IUCAKERBSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@](C)(C2CC2)C1	694832200	CQCLOXKQYZNARU-GZMMTYOYSA-N	227.308	-0.134	50	10	BBGE	
CC1(S(=O)(=O)N2CCOC[C@H]2N=C=O)CC1	696378272	SHWNZOJPDVLGQV-QMMMGPOBSA-N	246.288	-0.137	50	10	BBGE	
CC(F)(F)C(C)(C)CNC(=O)C(=O)NN	697291648	WJZLEGZMHDAGLT-UHFFFAOYSA-N	223.223	-0.226	50	10	BBGE	
Cn1cc(/C=C\C(=O)NNC(N)=O)cn1	700852678	LVNBDBWQQYTPSF-IHWYPQMZSA-N	209.209	-0.867	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CCN(C)C)C1	701446650	NDHYFIZCUHVCRA-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CCOC[C@@H](O)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703452517	QZXHOKKUBSBAJB-CIUDSAMLSA-N	243.259	-0.700	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C)C[C@@H](C)C1	707565096	QTRKOYRGLQWXEM-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CN(C)C(=O)N1CCCc2cc(B(O)O)ccc21	712145416	FLZDJVVRCKWQOR-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893278	SFCVNBWBTTTYEK-UTINFBMNSA-N	229.324	-0.154	50	10	BBGE	
CNC(=O)NC[C]1SC=C[C@H]1B(O)O	725658800	YEYGAYDKAAGMTH-RXMQYKEDSA-N	215.063	-0.449	50	10	BBGE	
C[C@H]1CCN(CC(=O)NNC(=O)N(C)C)C1	847402834	LMGQSOGSGPYWMW-QMMMGPOBSA-N	228.296	-0.369	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ncc[nH]2)O1	862893323	UVOIGAIHFDOXSJ-RNFRBKRXSA-N	238.247	-0.262	50	10	BBGE	
CNC(=O)NNC(=O)/C=C(/C)c1cnccn1	1142142965	VEILDYRXKUDBAA-ALCCZGGFSA-N	235.247	-0.160	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)c1c[nH]nc1C	1144461520	QWPOHOLFYWNPIJ-UHFFFAOYSA-N	224.220	-0.972	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)o1	1144480448	UNDUKGCTIFLTIR-UHFFFAOYSA-N	246.186	-0.656	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1161431212	AGZKTAJVSRIXBI-OMKQZNDVSA-N	235.247	-0.329	50	10	BBGE	
CC(=O)NNC(=O)C[C@@H]1CCC(=O)NC1	1540576564	UBAIWYAUXHVHQA-ZETCQYMHSA-N	213.237	-0.930	50	10	BBGE	
NC(=O)CN(C=O)/N=C/c1ccc([N+](=O)[O-])o1	1615886543	CYHYVRJBJPPHHS-XCVCLJGOSA-N	240.175	-0.535	50	10	BBGE	
CN=C(NN)NC[C@H]1C[C@@H]1Br	1880434945	WVPBHFJONOUBGT-UHNVWZDZSA-N	221.102	-0.192	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)CCl)C[C@H]12	1883971465	RYTHTSIOHVXMSP-WHFBIAKZSA-N	202.641	-0.585	50	10	BBGE	
C#Cc1cc(C(=O)OC)cc(B(O)O)c1C	1887521059	VEJAFGFODDMYCN-UHFFFAOYSA-N	218.017	-0.557	50	10	BBGE	
COC(=O)[C@@H](Cl)CS(N)(=O)=O	1887590358	YDZRRFLDFLDRQE-VKHMYHEASA-N	201.631	-0.945	50	10	BBGE	
CO[C@@H](C)CCN1CC[C@H](B(O)O)C1	1891586921	YQCRAWCTLFSXNR-IUCAKERBSA-N	201.075	-0.040	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1894667519	WEZAGMQOCGDGLT-IEBDPFPHSA-N	227.308	-0.541	50	10	BBGE	
CS[C@@H]1CCN(C(=O)C(=O)NN)C2(CC2)C1	1899553848	JSRLMBQLADGRIM-SSDOTTSWSA-N	243.332	-0.137	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1N	1901339730	SHXNJXYFMMODKC-SFYZADRCSA-N	249.336	-0.575	50	10	BBGE	
OB(O)[C@H]1CCN(CCN2CCSCC2)C1	1902514148	VWCDFRJVQWZNFQ-JTQLQIEISA-N	244.169	-0.416	50	10	BBGE	
O=C(N[C@H]1CCSC1)N1CC[C@H](B(O)O)C1	1902548521	NNHOCXMFEZXWKC-YUMQZZPRSA-N	244.125	-0.250	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1902713934	QXNPKWMHNBHYKM-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
CCCCNC(=O)Nc1ncccc1B(O)O	1913652310	NUKLDOOJKBMRCC-UHFFFAOYSA-N	237.068	-0.317	50	10	BBGE	
CNC(=O)[C@H](C)N(C)S(=O)(=O)CCCl	1916836848	BVGBPHOKBBULBK-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
CN1CCCC[C@@H]1C(=O)NNCCO	1931442214	KMOMUSGDDWOMBV-MRVPVSSYSA-N	201.270	-0.916	50	10	BBGE	
C[C@H](c1nccs1)N(C)C(=O)C(=O)NN	1934613606	WEOPKQVWZNTZLO-RXMQYKEDSA-N	228.277	-0.348	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CCC(=O)NN	1934981145	NPTJEOUIGUHQPX-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cnc([N+](=O)[O-])c1	1936083828	KWSZTMLPXXGCQP-RITPCOANSA-N	225.208	-0.583	50	10	BBGE	
Cc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c(=O)c1	1936091607	NQGCFHXHFXHYCP-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CCCN(CCN(C)C)C[C@H]1C[C@H]1C(=O)NN	1941089525	KLYJLFOZDCWKSQ-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)OCC[C@H]1C	1944024180	MOFDTYGORSYCLK-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
CC1(C)CC(=O)N(CC2(C(=O)NN)CC2)C1=O	1945883937	IOGMHRYUHFZTQA-UHFFFAOYSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H](CO)C2)CC1	1945894677	VOLRBGVBPLSISM-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CCN(CC)C1CN(CC2(C(=O)NN)CC2)C1	1945911967	FJMREWIZUFNFAX-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CN(C)C[C@H]1COCCN1CCCC(=O)NN	1947727897	KHTPVHOCKBPJMQ-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CON(CCC(=O)O)C(=O)NN(C)C	1955222295	JSMNYUWSCMVHFI-UHFFFAOYSA-N	205.214	-0.489	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)[C@H]2COC[C@@H]21	1957255536	GSTCMUXNGLOLQA-KZVJFYERSA-N	215.684	-0.225	50	10	BBGE	
C[C@H](Cl)CC(=O)NC[C@@H](C)S(N)(=O)=O	1957318205	MBJPSGIBOPKTKS-NTSWFWBYSA-N	242.728	-0.203	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CC[C@@H]1C2)C(=O)NN	1958759260	QCKPLIVZYHKWRX-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
O=C1[C@@H]2CCCN2CCN1C[C@@H](O)CCl	1961456523	SAXIVIIHAWCKGL-IUCAKERBSA-N	232.711	-0.107	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CCO2)C1	1961521415	VKZVWGFRPKXMEW-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CC[C@@]12C[C@H]1CN(CCOCC(=O)NN)C2	1979832795	AAZPGVLEFPVVAC-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)C(=O)N1CCCO[C@H]2CCC[C@H]21	1980773298	UXLISRREGXSPJE-SFYZADRCSA-N	227.264	-0.854	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC12CCN(C)CC2	1980825987	OLBCHHYHBVENPZ-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@H]1CCO	1981406640	GVRWUWWZRFKELX-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CCC2)C1	1981422526	PTTHKESILHMDAO-UHFFFAOYSA-N	218.065	-0.248	50	10	BBGE	
CCCN(CC)c1ncnc(C)c1B(O)O	1981445369	HOKFVMNBPNECHZ-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@](O)(C(C)(C)C)C1	1983788286	LWVDGDNHZCZEGO-KWQFWETISA-N	229.324	-0.152	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@H](CO)[C@@H]2C1)C(=O)NN	1985465599	ROICTBSFOUWHDE-AYMMMOKOSA-N	227.308	-0.827	50	10	BBGE	
O=C1NC[C@@H](CN=c2[nH]nc(CCCl)o2)O1	1987120825	JJBHHILRPKYQQB-RXMQYKEDSA-N	246.654	-0.207	50	10	BBGE	
CC1(C)CN(c2ncc(F)cc2B(O)O)C1	1988001138	DWRPOPGKTOUTFC-UHFFFAOYSA-N	224.044	-0.253	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cn1)N1CCCC1	1988028764	BDHYCUXQDGKPQC-VIFPVBQESA-N	223.085	-0.953	50	10	BBGE	
C[C@](F)(Cn1ccc(B(O)O)n1)C(F)(F)F	1989407312	RTIGMUUNVURKER-LURJTMIESA-N	239.965	-0.147	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCC[C@H]1F	1991722018	OTYGYDYRUPLTQO-SFYZADRCSA-N	226.016	-0.574	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CC[C@@H](CO1)C2	1992633251	LBTFNRALOOFLTF-SCZZXKLOSA-N	225.053	-0.760	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CO[C@H](C)C1	1996343362	WBQQLEKCXFQVMH-KXUCPTDWSA-N	245.323	-0.652	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CN2CC[C@H]1C2	1996734795	TVXJDTUXSPDNIE-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)OC(C)(C)C1	1998055572	ASNJXRQPFLSQMA-ZETCQYMHSA-N	245.279	-0.263	50	10	BBGE	
C[C@@]12CN(CC3(C(=O)NN)CC3)C[C@@]1(CO)C2	2001045974	LLSQOUYRGKKNKX-ZYHUDNBSSA-N	239.319	-0.539	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@@H](C)[C@H](C)C(=O)NN)C2	2001049787	QISUFRYNJHWBIN-UXCLJVHYSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccc(N(CC(F)F)C2CC2)nc1	2004912606	VVQVUXVDAKFMRR-UHFFFAOYSA-N	242.034	-0.005	50	10	BBGE	
C[C@@H]1CCCN(c2ncncc2B(O)O)[C@@H]1C	2004921570	XNPZQQBTSHDXHS-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
COC(C)(C)COc1ncc(B(O)O)cc1F	2004933016	BCCGKZWRXXCAGR-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](C)[C@@H](F)C1	2005018244	QKSBRMVYFGYWMK-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@]2(C1)C[C@@H](O)C2	2011297177	JOKLPLDSHLMKGG-JBLDHEPKSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C(C)(C)C(=O)N1	2013376788	STGCZWOLLJODLY-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CC(=O)N2CCC[C@H]12	2014830645	BZZFQDKHZJBUNK-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]1(C)CCOC1	2019209054	HZPLHWWFWXINPU-NSHDSACASA-N	243.307	-0.488	50	10	BBGE	
CCOCC1CN(Cc2cccc(B(O)O)c2)C1	2047177927	QULVRGNTEJAVCI-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2C2CCC2)c1B(O)O	2052553975	NZVDXLGJESJHLB-SNVBAGLBSA-N	247.107	-0.156	50	10	BBGE	
CCOc1cc(C#N)c(OC)cc1B(O)O	2060204168	UFVRMEQNRIHAMT-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
N#Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)nc1	2208732477	VABOUDIAXIAHMA-SECBINFHSA-N	245.047	-0.358	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)[C@@H]1C[C@H]1Cl	2210423930	ZZFVWRSTPFMOPT-OKNNCHMLSA-N	249.694	-0.807	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@]1(C)CO	2211783799	WUBJDPSKTMCOPS-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
CCC1(O)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211839055	PFSJMEANKGGBRK-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]3C[C@H]32)c1	2212601736	SEBYAMFFKRTMEW-PSASIEDQSA-N	218.065	-0.250	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncc(B(O)O)cn2)CS1	2212602944	AWCLYIXCUSVUPW-XPUUQOCRSA-N	239.109	-0.538	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CC[C@H]32)cc1B(O)O	2212603177	DBPPORZEAOSQFM-VROVMSAKSA-N	218.065	-0.110	50	10	BBGE	
C=C(C)CCN=c1[nH]ccc(B(O)O)c1F	2212605093	XQORUFZDOSNQKF-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C#CCN(CC#C)Cc1cccc(B(O)O)c1	2214593940	ZLNVLLLDHXZGHG-UHFFFAOYSA-N	227.072	-0.565	50	10	BBGE	
Cn1cc(OCc2cccc(B(O)O)c2)cn1	2214596438	QHVGBIBUBJQAEQ-UHFFFAOYSA-N	232.048	-0.321	50	10	BBGE	
COCC(COC)OC[C@H]1CC[C@@H]1C(=O)NN	2215776563	NNBQWXBJOVQYNS-SCZZXKLOSA-N	246.307	-0.320	50	10	BBGE	
CC1(C)C[C@H](Nc2cc(B(O)O)ccn2)CN1	2217175207	FYHXVQMBGKRCGH-VIFPVBQESA-N	235.096	-0.686	50	10	BBGE	
CC1(C)[C@@H](Nc2ncccc2B(O)O)C[C@H]1O	2217175984	QCCYMLNXGPRYHM-DTWKUNHWSA-N	236.080	-0.667	50	10	BBGE	
C[C@@H]1CO[C@@H](CNc2ncccc2B(O)O)C1	2217176991	DAHYHTVWXGDOCZ-DTWKUNHWSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1[C@@H]2COC[C@H]12	2217177342	HZCHXWZFQRISSO-PSVAKVPMSA-N	234.064	-0.934	50	10	BBGE	
CC1(C)CNC[C@H]1Nc1ncccc1B(O)O	2217177529	JZTDLIJQJRNFMQ-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
CNC(C)(C)COc1cc(B(O)O)c(C)cn1	2217181813	VLVJYKAUHSPUCJ-UHFFFAOYSA-N	238.096	-0.553	50	10	BBGE	
C[C@@H](O)C1(Nc2nccc(B(O)O)c2F)CC1	2217181823	VRYHHVZZEXCICU-ZCFIWIBFSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CNC23CCC3)c1	2217189400	CRXNIOWUCSIDBL-VIFPVBQESA-N	234.064	-0.965	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCO1	2217195428	KAQBFXSFACXURG-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
C[C@H]1CNCC[C@@H]1Nc1ccc(B(O)O)cn1	2217198922	IBVRXNJGWBNNLB-WPRPVWTQSA-N	235.096	-0.829	50	10	BBGE	
C#CCOCCCNc1ncccc1B(O)O	2217205233	WDSIRHVGBHTCNQ-UHFFFAOYSA-N	234.064	-0.787	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@@H]2CN1Cc1cccc(B(O)O)c1	2220064620	OVDOIPKIZCBLHL-KGYLQXTDSA-N	246.119	-0.855	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)C[C@@H]1N	2220070825	FUNKZMFKAADLHQ-LBPRGKRZSA-N	248.135	-0.465	50	10	BBGE	
Cc1cnc(-n2cnc([N+](=O)[O-])c2)cc1B(O)O	2223613006	IBEHXDBMAURNJV-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
Cc1cn(C)nc1CNc1ccc(B(O)O)cn1	2223626953	KQNRMPXTVPQEEY-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1ccc(NCC23CC(CCO2)C3)nc1	2223631860	BUPXVBNIFUFUPD-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCNC2(CC2)C1	2223647508	YFNJXQIJZLYNNZ-VIFPVBQESA-N	248.091	-0.575	50	10	BBGE	
CC(C)CN(CC(=O)NN)C[C@H](C)O	2242075727	OAEDBFPNACTABM-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
N=C(NN)N[C@H]1C[C@H](Br)C1	2242387915	UTRUZJUCBIZISG-JPYJGEKTSA-N	207.075	-0.100	50	10	BBGE	
O=C(NCC1CCC1)c1ccoc1B(O)O	2243349033	DTBSUXPDVBCQJE-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ccsc1B(O)O	2243359384	RZSNBLIYWXZHNB-SSDOTTSWSA-N	237.089	-0.290	50	10	BBGE	
C[C@H]1CN(C(=O)c2csc(B(O)O)c2)[C@@H]1C	2243362663	UQKFZBOAXQMNMA-NKWVEPMBSA-N	239.105	-0.092	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H](O)C1)C1(B(O)O)CC1	2243363791	MLTKAHHYOOPIOB-JGVFFNPUSA-N	227.069	-0.587	50	10	BBGE	
CON(C(=O)c1occc1B(O)O)C(C)C	2243364657	AHTVEUHBRGGSJS-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C1CC1	2243409173	CILDHESNPMRNLT-LURJTMIESA-N	223.037	-0.512	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)sc1B(O)O	2243409512	JKOUDDBVOYHMBN-CAHLUQPWSA-N	239.105	-0.125	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2243414136	UKWQUJLQWNLZIM-AJKDEPMXSA-N	227.069	-0.467	50	10	BBGE	
NCCCCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243427560	XGVACHDVRJQDPC-KYZUINATSA-N	228.101	-0.515	50	10	BBGE	
O=C(C[C@@H]1C=CCCC1)NCC#CB(O)O	2243664825	NYIMHEBPIGQMAD-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
C=CC(=O)N(C)Cc1scc(C)c1B(O)O	2243670182	ZFHXAMGRJQYWPF-UHFFFAOYSA-N	239.105	-0.119	50	10	BBGE	
Cc1csc(CNC(=O)C(F)F)c1B(O)O	2243678512	KJBQNMPCTKYXPL-UHFFFAOYSA-N	249.047	-0.382	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(CCCC(=O)NN)C2	2244310654	IWXBSRBRUITITL-JZYVYDRUSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@@H](C)O)C1CCC1	2244876835	JUCSSDAYHIEFLI-PSASIEDQSA-N	229.324	-0.010	50	10	BBGE	
CCCN(C[C@H](C)O)C[C@H]1C[C@H]1C(=O)NN	2244879349	KFRRJEMPVHSUMU-IVZWLZJFSA-N	229.324	-0.295	50	10	BBGE	
C[C@]1(CO)C=CCCN1C[C@H]1C[C@@H]1C(=O)NN	2246358800	IJJGIXPXMYAHLO-JFGNBEQYSA-N	239.319	-0.375	50	10	BBGE	
C[C@H](COC(F)F)Oc1ncccc1B(O)O	2246678065	ZZMCCBJZXUIMRY-ZCFIWIBFSA-N	247.006	-0.232	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)c1ncon1	2247732707	IGQKOTWHMXYXHO-LURJTMIESA-N	239.040	-0.356	50	10	BBGE	
CCC1(CNC(=O)c2coc(B(O)O)c2)CC1	2247734963	WVTWWSNFSNBGIZ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]2C[C@@H]21	2247735481	ZESZZUKPVPFAEW-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
C#CCN(CCF)C(=O)c1ccc(B(O)O)o1	2247741330	XYVHWEPLACCBQF-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCOC[C@H]21)C1(B(O)O)CC1	2247754626	GTLYZNPJOGMHEN-IWSPIJDZSA-N	239.080	-0.608	50	10	BBGE	
C=CCCNC(=O)c1cc(C)ccc1B(O)O	2247761543	WARFBQFVXYBCLV-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N1CCC1	2247787693	SKUQCKYSGXEOQK-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CC(C)C[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247798380	SVVZLHIWHOVLOZ-QXEWZRGKSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2247804317	GHTNPODTDLUTGJ-CVPUBMOQSA-N	239.080	-0.921	50	10	BBGE	
COC[C@@H]1C=CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808636	VSHNRDINHCOPNM-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CCO)[C@@H]1C[C@H]1B(O)O	2247809097	NTSOSSMCKQYQFW-ZYUZMQFOSA-N	241.096	-0.483	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCC[C@H]2C1=O	2247847670	ABAOVESTVWGPSA-RKDXNWHRSA-N	235.048	-0.823	50	10	BBGE	
C[C@H]1C[C@@H]1CCNC(=O)c1cc(B(O)O)c[nH]1	2247847784	BNUQJYITFBIYOS-YUMQZZPRSA-N	236.080	-0.530	50	10	BBGE	
CCONC(=O)c1c(F)cc(B(O)O)cc1F	2247872306	QALOVCQGOXGNPB-UHFFFAOYSA-N	244.990	-0.674	50	10	BBGE	
O=C(N1CC[C@@H](CO)C12CC2)C1(B(O)O)CC1	2247872820	YZOCQZNQUIDKAF-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
NC[C@@H]1CCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247879020	PBTXTTUZPNQQBK-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
C[C@H](CC(C)(C)O)NC(=O)C1CC(B(O)O)C1	2247892472	BHFRKNOIFWCKNT-AFPNSQJFSA-N	243.112	-0.095	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2247894437	GVTFXOFSXAIMPS-SQXHDICFSA-N	239.080	-0.467	50	10	BBGE	
O=C(NCC1=CCCOC1)[C@H]1C[C@@H](B(O)O)C1	2247895694	VBIWQXNJNTVDMT-AOOOYVTPSA-N	239.080	-0.298	50	10	BBGE	
O=C(NC[C@@H]1CCNC12CC2)[C@@H]1C[C@@H]1B(O)O	2247899237	LQXUUSUGUTYXOL-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CC1CC(CO)(NC(=O)C2CC(B(O)O)C2)C1	2247909300	HSJOACDIYRQOAW-UHFFFAOYSA-N	241.096	-0.483	50	10	BBGE	
O=C(C(F)F)N1Cc2ccc(B(O)O)cc2C1	2248396453	ZIZACNRJEJLQNJ-UHFFFAOYSA-N	241.002	-0.526	50	10	BBGE	
O=C(NCCC1CCC1)c1cocc1B(O)O	2249422588	FDXFVJPANGSFEE-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC1(CCNC(=O)c2cocc2B(O)O)CC1	2249425866	LKWPOFZUAFEEPQ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CCON(C)C[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2251799531	HNLVPCJIKAFWKA-QWRGUYRKSA-N	243.307	-0.201	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2255462547	WVXQBJQYCZRDMJ-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2oc(O)nc2c1	2255467944	UGDCNIWCHBITLX-UHFFFAOYSA-N	245.987	-0.513	50	10	BBGE	
C#CCCCNC(=O)c1cccc(C)c1B(O)O	2255509946	QOCATLYJLBVNFI-UHFFFAOYSA-N	245.087	-0.182	50	10	BBGE	
O=C(C#CB(O)O)Nc1cc([N+](=O)[O-])ccc1O	2255680108	KHMKBWVUHNDJLM-UHFFFAOYSA-N	249.975	-0.746	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CC=CC[C@H]21	2255733665	ORYYXFIDNNUGMR-WCBMZHEXSA-N	247.059	-0.250	50	10	BBGE	
Nc1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2255768884	JHNIAMJIHLHVQB-WDEREUQCSA-N	246.075	-0.026	50	10	BBGE	
C#CCCCNC(=O)Nc1ccccc1B(O)O	2255916531	GPNNAFKYJXHLJV-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ncc(B(O)O)cc1C	2257487816	QTZSKAYFGFJDEK-SNVBAGLBSA-N	246.075	-0.789	50	10	BBGE	
CC[C@H]1[C@@H](CO)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369590	ZEMKGCWYQHYOHV-IMSYWVGJSA-N	241.096	-0.531	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC2CC1(CO)C2	2299755790	FODTYBKLMFDGMO-WDHPUFTPSA-N	239.319	-0.541	50	10	BBGE	
C#CC#CCNc1ccc(C=O)c(B(O)O)c1	2301451888	ZMZDAPBBUFYZJC-UHFFFAOYSA-N	227.028	-0.773	50	10	BBGE	
COCC(C)(C)Nc1cc(B(O)O)c(F)cn1	2303848253	WRLBIIVSJMYVQW-UHFFFAOYSA-N	242.059	-0.263	50	10	BBGE	
C#C[C@H]1N(c2nccc(B(O)O)c2F)CC1(C)C	2314530923	OBWHEPBXQUABIG-SECBINFHSA-N	248.066	-0.252	50	10	BBGE	
C[C@@]1(Oc2ccc(C=O)c(B(O)O)c2)CCNC1	2317352285	WVCLEJQTCBANSF-GFCCVEGCSA-N	249.075	-0.690	50	10	BBGE	
N#CC1(F)CN(Cc2cccc(C(=O)NN)n2)C1	2317360754	IAWPSNXKCFIBJU-UHFFFAOYSA-N	249.249	-0.267	50	10	BBGE	
N#CC1(F)CN(C(=O)c2ccccc2B(O)O)C1	2317379140	NOXYGRQGTZMIEI-UHFFFAOYSA-N	248.022	-0.946	50	10	BBGE	
Cc1cccc2c1N(C(=O)C#CB(O)O)CCN2	2327745422	LEIUXHFAQCYJQP-UHFFFAOYSA-N	244.059	-0.231	50	10	BBGE	
COC(=O)c1c(SC)nn(C(=O)NN)c1N	6640309	IBXXPFLGKSRVFW-UHFFFAOYSA-N	245.264	-0.595	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)C[C@H](C)S1	69910271	NSKXFKQJHMUALL-WDSKDSINSA-N	217.294	-0.671	50	10	BBGE	
NNC(=O)c1cc(CN2CCSC2=O)on1	82471403	KFGXDANIEWFJLT-UHFFFAOYSA-N	242.260	-0.053	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2	82528096	CGKKIEULNHFYIG-XLPZGREQSA-N	211.265	-0.471	50	10	BBGE	
CC1CC(=O)N(CCC(=O)NN)C(=O)C1	86456650	MTUVTKAGRJFWMM-UHFFFAOYSA-N	213.237	-0.849	50	10	BBGE	
CC(=O)N1CCN([C@@H](C(=O)NN)C(C)C)CC1	104111532	OTRJXUDBJUUKQB-SNVBAGLBSA-N	242.323	-0.835	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H](C(N)=O)C1	104118187	KJEHUZHXJHRFOF-IUCAKERBSA-N	242.323	-0.802	50	10	BBGE	
NNC(=O)CCn1c2c(ccc1=O)CCC2	127716274	BEYAIEMPNIHZKI-UHFFFAOYSA-N	221.260	-0.283	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)C1(C)C	212115043	NODGGGKXABLDGJ-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
C[C@H](CN)SC[C@@H]1CC[C@@H](C(=O)NN)O1	228867827	HUPPUCCAYIUIGL-CSMHCCOUSA-N	233.337	-0.396	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)C[C@@H]1O	230357045	VHVIYFFRSBSRTR-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
Cc1noc(C)c1C(=O)NNC(N)=S	238526597	PKXAQXUTOYDJHO-UHFFFAOYSA-N	214.250	-0.231	50	10	BBGE	
CN1CCN(NC(=O)NCCCl)CC1	244303560	WZELZCWDZRBOKZ-UHFFFAOYSA-N	220.704	-0.313	50	10	BBGE	
Nc1nc(CCl)nc(N2CC(O)C2)n1	306791729	YTFQMZSYTJHCBL-UHFFFAOYSA-N	215.644	-0.627	50	10	BBGE	
C[C@@H]1CN(C(=O)CCCl)CC(=O)N1	307570261	ZHYMGXCGJSXWOW-ZCFIWIBFSA-N	204.657	-0.038	50	10	BBGE	
CNC(=O)CCNc1nc(N)nc(CCl)n1	309474583	UTWNMHILPSDBET-UHFFFAOYSA-N	244.686	-0.259	50	10	BBGE	
CC(=O)NNC(=O)c1cn2c(n1)NCCC2	309535812	CRBOTWHXVULEBO-UHFFFAOYSA-N	223.236	-0.520	50	10	BBGE	
CCc1nc(C)c(CNC(=O)C(=O)NN)o1	311822432	ZDXYOJJJNRVGPE-UHFFFAOYSA-N	226.236	-0.848	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CC(=O)NN	395178933	OTSFFDHAKYTVIB-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
COc1ccc(B(O)O)nc1C(F)(F)F	396108775	WWJYDQSIPKFUBN-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
OCc1csc2cc(O)cc(B(O)O)c12	396348799	UMDTYSWSQDULIJ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCl)o2)CC[C@@H]1O	396866828	YPSKZXNJERLRBQ-RQJHMYQMSA-N	247.682	-0.012	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC[C@H]1CO	404531481	YZACHMYUWCMMHK-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)n2)on1	405043847	BKLAVNSAIULNLU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C=CC[C@H](CO)NC(=O)c1cccc(B(O)O)c1	584984897	DIOFCICJIHFMDG-LLVKDONJSA-N	249.075	-0.967	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCOC[C@@H](O)C1	695120624	ZXPGRANAUYMFOT-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)CCCCCN1CC2(COC2)C1	697132053	GKMUTJQYHJJPET-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
Cn1nccc1/C=C\C(=O)NNC(N)=S	700852320	DHAACSZZJKFPBB-IHWYPQMZSA-N	225.277	-0.702	50	10	BBGE	
COCCn1cccc1C(=O)NNC(N)=S	700867170	WYLCWSUQYHIHBM-UHFFFAOYSA-N	242.304	-0.388	50	10	BBGE	
O=C(NCB(O)O)C1C[C@H]2[C@H](C1)C2(F)F	701932951	SVSRKOSNCVTFFL-WDSKDSINSA-N	218.996	-0.594	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC2(CCCO2)C1	702938659	KYDUWDPVGODKPX-SECBINFHSA-N	227.308	-0.134	50	10	BBGE	
O=C1CC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)CN1	703436341	OEJDHNFYAHHYFL-CSMHCCOUSA-N	238.243	-0.819	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CC(C)(C)C(=O)NN	706206408	DMNKGQAMTHMYHN-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CN(CCn2cc(C(=O)NN)nn2)[C@@H]1C	706899286	PVOAFBLZAWTSDZ-JGVFFNPUSA-N	238.295	-0.778	50	10	BBGE	
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC	707521665	CJDSIIAYVBAENC-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
C[C@@H](CS(C)(=O)=O)N(C)C[C@H](O)CCl	708492213	NLDSBXIINDQMFT-JGVFFNPUSA-N	243.756	-0.049	50	10	BBGE	
CN(C(=O)c1cn(C)nn1)[C@@H]1COC[C@@H]1Cl	709090636	WCAHAMRTGODDPD-POYBYMJQSA-N	244.682	-0.107	50	10	BBGE	
Cc1sc(C2OCCO2)cc1B(O)O	709739583	VHKLHZMOWIFYRD-UHFFFAOYSA-N	214.051	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H]1CO2	718287092	QPANBZOWEBJXKW-HXFLIBJXSA-N	213.281	-0.526	50	10	BBGE	
NC(=O)N1CCN(C(=O)CCCl)CC1	721655273	VNLTURJFLZGRSU-UHFFFAOYSA-N	219.672	-0.162	50	10	BBGE	
O=C(Cn1ccnc1)NN=c1cc[nH]cc1	781020844	GVUJSADBCPHCMR-UHFFFAOYSA-N	217.232	-0.157	50	10	BBGE	
CC(C)(C)CC(=O)NNS(=O)(=O)N1CCC1	795314604	PVXFOUJEUREEQX-UHFFFAOYSA-N	249.336	-0.006	50	10	BBGE	
CCC(=O)NNC(=O)[C@H](C)N(C)CCCO	799365297	WPQURUWRVRCYLG-QMMMGPOBSA-N	231.296	-0.754	50	10	BBGE	
CN1CCCC[C@H]1CCC(=O)NNC(=O)CO	807199258	WFIVJGQNVLPQEA-VIFPVBQESA-N	243.307	-0.609	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1cc[nH]n1	855354844	KLTVNJIFIMRPOP-LURJTMIESA-N	221.220	-0.280	50	10	BBGE	
COC[C@@H](OC)C(=O)NN=c1cc[nH]cc1F	857319946	NNPZEQUKAJXLDA-SECBINFHSA-N	243.238	-0.253	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1COC(=O)N1	862500911	YGHOTTPQBKEHSU-QMMMGPOBSA-N	236.231	-0.637	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	930731601	GEMZTRXSXWWUIM-DMAGGPPCSA-N	239.275	-0.240	50	10	BBGE	
CCOC(=O)C/C(C#N)=C(\N)CC(=O)NN	1088672941	NEUPENDFZJSGCZ-VOTSOKGWSA-N	226.236	-0.944	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(COC)o1	1115886635	BTJZPGDXZYEURI-UHFFFAOYSA-N	227.220	0.000	50	10	BBGE	
COCCN(C)NC(=O)CCc1cnn(C)n1	1118383236	CUOCDLXJJDBKOK-UHFFFAOYSA-N	241.295	-0.643	50	10	BBGE	
CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ncon1	1472178764	FKFKAVQGZVSMMQ-RITPCOANSA-N	242.235	-0.762	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cccnn1	1529325831	XQGQMMVKYGPBDO-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CS(=O)(=O)c1ccc(NNC(=O)CO)cc1	1545953898	OBEUFTSTEZPWDD-UHFFFAOYSA-N	244.272	-0.475	50	10	BBGE	
CC(=O)NNC(=O)CCc1ncccn1	1628978556	KETWUBDARWONAY-UHFFFAOYSA-N	208.221	-0.424	50	10	BBGE	
NCC#CC(=O)NC[C@H]1C[C@@H]1Br	1881348498	GBPHHAMSMORBGB-RQJHMYQMSA-N	231.093	-0.152	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H]2[C@@H](O)C[C@H]21	1882061394	IINVSLMANIKPEN-XVMARJQXSA-N	225.697	-0.032	50	10	BBGE	
O=C(NCc1nn[nH]n1)[C@H]1C[C@H]1Cl	1883639279	LGYBFOWBIWMZTQ-IUYQGCFVSA-N	201.617	-0.557	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1COCCN1	1884411482	DBTLUCRNTOLLSB-RRQHEKLDSA-N	218.684	-0.139	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)CS(=O)(=O)CC	1887962352	MBKJUBNINABOSH-ZETCQYMHSA-N	237.708	-0.222	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(F)(F)F	1888599214	UEPTVDDRZBJUCX-UHFFFAOYSA-N	234.199	-0.139	50	10	BBGE	
C[C@H](CO[C@@H]1COC[C@H]1C)C(=O)NN	1888708503	UDITXRGSIYQAMC-BWZBUEFSSA-N	202.254	-0.336	50	10	BBGE	
C[C@@H](COC[C@@H](C)N(C)C)C(=O)NN	1888721591	PYZCLNUCKGONNI-JGVFFNPUSA-N	203.286	-0.421	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1COC[C@@H]1F	1888891582	GIOVFYYAEAPJFI-CRCLSJGQSA-N	224.619	-0.212	50	10	BBGE	
C[C@@H](CN(C)C)N1CC[C@H](B(O)O)C1	1891491774	KTWSPEJTKLLNNV-IUCAKERBSA-N	200.091	-0.515	50	10	BBGE	
O=C(CCCCl)N1CCC1(CO)CO	1891563464	PPKNRYRTIXHMKS-UHFFFAOYSA-N	221.684	-0.039	50	10	BBGE	
CC(C)COCc1nc(B(O)O)cs1	1891823679	MQZFJEVHIBPFNN-UHFFFAOYSA-N	215.083	-0.005	50	10	BBGE	
O=C(O)COCC(=O)NC[C@@H]1C[C@H]1Cl	1893118509	INCYMTNARJTMFZ-NTSWFWBYSA-N	221.640	-0.169	50	10	BBGE	
CO[C@H](CN)CNNC(=O)OC(C)(C)C	1893591168	FTYIRZYMKVPHKG-SSDOTTSWSA-N	219.285	-0.011	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cnsc1B(O)O	1900452302	QMSMUDRWTADJTD-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
CC1(O)CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	1900533384	HNKADMSWHYWZHL-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H](F)C1=O	1901657935	LQPGEHIUGAXMMC-KPGICGJXSA-N	229.016	-0.664	50	10	BBGE	
OB(O)c1csc(OC[C@@H]2[C@H]3COC[C@H]32)n1	1902197431	CXPFWLAWBHLSJZ-ZMONIFLSSA-N	241.077	-0.906	50	10	BBGE	
C[C@H](CCl)C(=O)NC1CN(C(N)=O)C1	1917785448	QUUONARFNXRUBP-RXMQYKEDSA-N	219.672	-0.260	50	10	BBGE	
CC[C@H]1CCCN1CCOCC(=O)NN	1928183083	NFHHWUAUGWRLDV-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CCN1CCN(CC(=O)NN)CC1(C)C	1928221498	MIZBTLYMZRSLEA-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
O=C(OCCl)N1CCS(=O)(=O)CCO1	1928683496	NGTHUEHQQFGSMF-UHFFFAOYSA-N	243.668	-0.019	50	10	BBGE	
CNC(=O)OC1CN(S(=O)(=O)CCl)C1	1929065273	LNCHBUBDVMOHPC-UHFFFAOYSA-N	242.684	-0.447	50	10	BBGE	
O=C(COc1ccccc1)NNCCO	1929836320	HOUSHZSWUHUVFV-UHFFFAOYSA-N	210.233	-0.322	50	10	BBGE	
CNNC(=O)[C@@H](OC)C1CCOCC1	1930601835	ZAGSISVHSINWCN-QMMMGPOBSA-N	202.254	-0.321	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(CC(F)F)C1	1932115879	MZRDTXHFPQKUQF-RXMQYKEDSA-N	207.224	-0.048	50	10	BBGE	
CC(C)N(C[C@@H](C)O)CC(F)(F)C(=O)NN	1935928239	IDSMMUPZFJLSEO-SSDOTTSWSA-N	239.266	-0.297	50	10	BBGE	
COCCN(C[C@@H]1C[C@@H]1C(=O)NN)C(C)C	1936094352	MLSWNQCGMGGYGQ-UWVGGRQHSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)COCCOc1cncc(F)c1	1936537158	YGRRINRSAAZLCY-UHFFFAOYSA-N	229.211	-0.394	50	10	BBGE	
NNC(=O)C(=O)NC1CC2(CCOCC2)C1	1936556762	JJCCPABEOAWCSQ-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
Cc1cnn(C)c1CN(C)CCC(=O)NN	1937831979	DADKMPLUZPRISN-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COC[C@H]2C1	1940890475	GEJPTIMAIZWSCF-JGVFFNPUSA-N	249.261	-0.420	50	10	BBGE	
CN(C)C1[C@@H]2CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@@H]12	1941091551	ZFWDPBMLSXLSBT-AXTSPUMRSA-N	238.335	-0.896	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(O)CCCC1	1941094461	MLNLONKOWBOBIC-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)O[C@H]2CCNC2)CC1	1941511746	ZRNBXIOWPLRAAQ-VIFPVBQESA-N	239.275	-0.165	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](OC(=O)N(C)C)C1	1942659437	JLCMJICOHVFLEP-YUMQZZPRSA-N	244.295	-0.863	50	10	BBGE	
COCCCCOc1cnc(C)c(B(O)O)c1	1944011082	LXKWVGNBMKLENN-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CC(C)(C)[C@H]1CCN(C(=O)C(=O)NN)CCO1	1944899318	NHAORFXUYMQXKN-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCC(O)CC2)C1	1950168447	YEYHKZLNXPZHPV-UHFFFAOYSA-N	241.291	-0.870	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]1CCl	1954308078	LYLJNYZAXUBCHV-NTSWFWBYSA-N	225.697	-0.226	50	10	BBGE	
O[C@H]1CN(CCOCCCl)[C@@H]2COC[C@@H]21	1958101410	ADKCDJJVZLSPCX-AEJSXWLSSA-N	235.711	-0.067	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1	1965409887	IPOVLJLXHAMGLJ-LLVKDONJSA-N	229.044	-0.786	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	1976862622	LZCLRKIQWUZPCR-HTQZYQBOSA-N	249.336	-0.143	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCOC1)C(=O)NN	1981417519	BBKWNRNPMKMYND-RKDXNWHRSA-N	232.280	-0.566	50	10	BBGE	
CCN(CCOC)c1ccncc1B(O)O	1981426485	OKNJNVQBBDEAPZ-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12CC(C1)[C@@H](C)O2	1989832762	INDLPZRNFRHLRL-OQVRZCNBSA-N	227.308	-0.136	50	10	BBGE	
Cn1cc([C@H](N)C(=O)NC[C@H]2C[C@@H]2Cl)nn1	1991454131	XQDCGBKEHGHENC-CHKWXVPMSA-N	243.698	-0.442	50	10	BBGE	
CN(C[C@]1(C)CCCCO1)C(=O)C(=O)NN	1992614114	UDRQOCDJRWXKOY-JTQLQIEISA-N	229.280	-0.606	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@](C)(CO)CC1(C)C	1992771833	WKWBPQXGOCVHMV-GZMMTYOYSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOC(F)F	1993959753	PNCJWFAGERPULP-LURJTMIESA-N	241.238	-0.838	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994021120	WHRPYOJSGUQIPB-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
Cn1cc(C(=O)N[C@@H](CCCl)C(=O)O)nn1	1994355467	FJKDJURSMYKWBQ-YFKPBYRVSA-N	246.654	-0.373	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC[C@H]2C[C@@H]21	1996257769	QERXAMCIHGKJDR-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
CO[C@@]1(CN(C)[C@@H](C)C(=O)NN)CCCOC1	2001494675	MQRKMVXKNBMOGX-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CC(C)(C)CN1c1ncncc1B(O)O	2004918297	JUEHTEQNWXOVCF-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ccncc1B(O)O)C2	2004939086	JYYULVSTWRBLCD-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
CCc1cnn(-c2ncc(B(O)O)cc2C)c1	2005009408	MWEQIGAFLNAGRF-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1cnc(N(C)[C@@H]2CCOC2)c(B(O)O)c1	2005018755	XWTYALXVWKTFQQ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CN(C[C@@H]1CC12CC(F)(F)C2)C(=O)C(=O)NN	2015577020	QNRCTWJVHUOSSN-LURJTMIESA-N	247.245	-0.130	50	10	BBGE	
O=C(CCOC1CC1)N[C@@H]1CCC=C1B(O)O	2020060100	TWMLNBUIPSQAMM-SNVBAGLBSA-N	239.080	-0.228	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1ncccc1B(O)O)C2	2026850899	ZIPNHXLVCURBNU-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3ncc(B(O)O)cn3)C[C@H]12	2042944452	NMUBPTTZZGIXMB-AZTOOPQRSA-N	247.063	-0.859	50	10	BBGE	
Cc1cc(B(O)O)c(C#N)cc1[N+](=O)[O-]	2060307167	ZMTXLBNNJKMFDU-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
COc1ccc(B(O)O)c([N+](=O)[O-])c1C	2060379539	DMKSHUOAYIKGQJ-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H]2COC[C@@H]21	2077844203	MCAZZHVQKAFGHX-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
N=c1nnc(=N[C@H]2C[C@@H](Br)C2)[nH][nH]1	2209173177	OZBSIWVCRSEZTP-ZXZARUISSA-N	245.084	-0.561	50	10	BBGE	
OB(O)c1ccc(COCCF)s1	2209233890	KSAYGVPJDRTNFT-UHFFFAOYSA-N	204.031	-0.086	50	10	BBGE	
Cc1nnn(C)c1N1CCC(O)(C#N)CC1	2210844477	SGXRYAHCKIPOPE-UHFFFAOYSA-N	221.264	-0.022	50	10	BBGE	
Cn1ccn(CC2(C(=O)NN)CCC2)c1=O	2212265440	HKAIDWGUWLAKPS-UHFFFAOYSA-N	224.264	-0.653	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)[C@H]1C[C@@H](O)C1	2212783126	NMZVCDFGCHNXCB-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
CN(Cc1cc(C(=O)NN)co1)[C@H]1C[C@@H](O)C1	2212784658	ZNJHMDKDKHZOAJ-DTORHVGOSA-N	239.275	-0.162	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)CCC12CC2	2214748675	FECMYQGXHSOJHW-SECBINFHSA-N	241.291	-0.857	50	10	BBGE	
CCCC1(O)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215777491	SUCZCHHLAAQFPQ-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1nccc(B(O)O)c1F	2217181472	QGVDHILDKRJLMV-NKWVEPMBSA-N	242.059	-0.528	50	10	BBGE	
Cc1cnc(N2CC[C@H]2C(F)F)cc1B(O)O	2217183098	FNAUQPIDYLIWJB-QMMMGPOBSA-N	242.034	-0.086	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2CCOC[C@@H]21	2217183458	IKXOGKLMCPYCSX-OYNCUSHFSA-N	234.064	-0.792	50	10	BBGE	
C#C[C@@H](Nc1nccc(B(O)O)c1F)C(C)C	2217184396	SFRXSMKJKOTMMU-SECBINFHSA-N	236.055	-0.030	50	10	BBGE	
N[C@@H](CCOc1ncccc1B(O)O)C(F)F	2217186251	HTUDDTFGAGHDTN-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1cnc(NC[C@H]2CCCCO2)nc1	2217200333	JRNPIFCWEUTWAQ-SECBINFHSA-N	237.068	-0.863	50	10	BBGE	
CC[C@H](N)CN(CC)c1ccc(B(O)O)cn1	2217204006	CYZHUDKCELDFAK-JTQLQIEISA-N	237.112	-0.675	50	10	BBGE	
NCCCC1CN(Cc2cccc(B(O)O)c2)C1	2220069689	ZJHIBKVGUWTCQM-UHFFFAOYSA-N	248.135	-0.463	50	10	BBGE	
CC[C@H](C)N1CC(Nc2cc(B(O)O)ccn2)C1	2223635500	XXGKRGNXZCGZJZ-VIFPVBQESA-N	249.123	-0.344	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@@H](N)C1	2223641548	UTIOSMXGOFYGMU-GHMZBOCLSA-N	249.123	-0.533	50	10	BBGE	
Cc1ncc(Nc2cc(B(O)O)c(C)cn2)cn1	2223641556	UVTBYTZUEWNMCV-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](N3CCC3)C2)c1	2223668736	AICVTFQHXVRJFC-LLVKDONJSA-N	247.107	-0.954	50	10	BBGE	
C=C(C)C(=O)Nc1ncc(B(O)O)s1	2241555642	OCXRPSBJZVZHGB-UHFFFAOYSA-N	212.039	-0.663	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]2Cl)C[C@H]1O	2241857171	HKWRSWMBVFYEPO-HNEXDWKRSA-N	219.668	-0.122	50	10	BBGE	
NC[C@@H](O)C(=O)NN(C1CCC1)C1CCC1	2243257633	GVHGPRHZBBOJNB-SNVBAGLBSA-N	227.308	-0.256	50	10	BBGE	
O=C(Nc1cnccn1)C1(B(O)O)CCC1	2243346569	ARCSJQGOQLEVPI-UHFFFAOYSA-N	221.025	-0.188	50	10	BBGE	
O=C(C#CB(O)O)N1[C@H]2CC[C@@H]1C[C@@H](F)C2	2243356953	PAVFZEMCYUPFNJ-PSVAKVPMSA-N	225.028	-0.507	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC2(CCC2)C1	2243357652	ZMIUXAYILUCMMN-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1sccc1B(O)O	2243362201	NPMUAAVSSOLZGH-BQBZGAKWSA-N	239.105	-0.186	50	10	BBGE	
COCCN(C)C(=O)c1sccc1B(O)O	2243374917	LXDXSOYTYBTMGD-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)cs2)[C@H]1C	2243385716	NEWJCBUCEXBARY-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@H]2C[C@@H]21	2243386051	UAVVLYUNXYYPKE-XPUUQOCRSA-N	237.089	-0.338	50	10	BBGE	
CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H]1B(O)O	2243391468	KZRRXOYAAPMXDT-XHNCKOQMSA-N	229.085	-0.628	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243404697	SGGBXLGRUXBNMC-YUMQZZPRSA-N	226.085	-0.940	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2243404991	XWRGMIIKRUXXPM-HRDYMLBCSA-N	226.085	-0.907	50	10	BBGE	
COCC1(CNC(=O)C2(B(O)O)CC2)CC1	2243411481	USVMJYAXAXZKEC-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
CC1(C)CC(=O)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414485	BQYXXEUHSCFAHS-BQBZGAKWSA-N	225.053	-0.366	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC(C)CC1)B(O)O	2243414842	IZNSCWLPGUMLAB-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
CSCC(=O)Nc1ncc(B(O)O)cc1F	2243585044	VIIKWMGIUSRDDE-UHFFFAOYSA-N	244.056	-0.798	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccccc1B(O)O	2243686886	RGBCMPAFSMMOLN-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@H]1Cl	2243713365	UXACTKSKHICWSO-NTSWFWBYSA-N	240.455	-0.673	50	10	BBGE	
CN(CCCC(=O)O)C(=O)C1(B(O)O)CC1	2243759333	VJJSFERTCYORSJ-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
CC[C@@H]([C@@H](C)CN(C)C)N(C)CC(=O)NN	2245098195	NZJZBSZJXKNXLB-UWVGGRQHSA-N	230.356	-0.116	50	10	BBGE	
CC1CN(C(=O)Nc2ncccc2B(O)O)C1	2246776839	BTMBCQJVQCVXPG-UHFFFAOYSA-N	235.052	-0.755	50	10	BBGE	
CCCNC(=O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2247754888	GGYFAHBQLFOSNH-SSDOTTSWSA-N	242.084	-0.976	50	10	BBGE	
CN(CC(C)(C)C)C(=O)c1n[nH]cc1B(O)O	2247781248	IVEOPADOUFYMCS-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785872	ROXYAXPFEUUOFP-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
Cc1nocc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247792873	VJHXWBYPMWHHBT-OTSSQURYSA-N	238.052	-0.148	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CNC(=O)C#CB(O)O)[C@@H]1C	2247847925	DNIRTVGFMYLPHO-UTINFBMNSA-N	239.080	-0.823	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247858588	FWQWQICCNZADOD-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NC[C@H](C)F	2247873158	FZMUZZPYWJXZKZ-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2(B(O)O)CC2)CCN1C	2247878861	OIGPDBTULWJMSA-DTWKUNHWSA-N	240.112	-0.408	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1COCC1(F)F	2247886996	JBEAVXCIWBVMKV-DSYKOEDSSA-N	249.022	-0.658	50	10	BBGE	
CCOC(=O)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898256	BSUANDWTLJHGPW-FXQIFTODSA-N	243.068	-0.693	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)N1CCC1	2249381720	CKAXXDWRJSUYPR-UHFFFAOYSA-N	237.039	-0.340	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cocc1B(O)O	2249416728	WNFZOCMSHRTPFM-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
O=C(NCCC#CB(O)O)N1CCCCCC1	2249986528	RFCPOAGJVMZUEJ-UHFFFAOYSA-N	238.096	-0.023	50	10	BBGE	
CN(CCF)C[C@@]12CC[C@@](C(=O)NN)(CO1)C2	2251803184	YTMYDEODSAHSQH-QWRGUYRKSA-N	245.298	-0.183	50	10	BBGE	
COC(=O)c1ccc(NC(=O)C#CB(O)O)cc1	2255469679	SIZJVSXFWCDHRM-UHFFFAOYSA-N	247.015	-0.573	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@@H]1c1ccccc1	2255472387	FQBLIULONICROU-NWDGAFQWSA-N	243.071	-0.078	50	10	BBGE	
CCC=C1CN(C(=O)c2ccc(B(O)O)cn2)C1	2255517246	UNJRTLKPWMQBLT-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC1(C)C[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255519873	CMRTWQWBZPEBMQ-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
C#CCCNC(=O)c1c(OC)cccc1B(O)O	2255566111	ONLURZJXYRLGPA-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
Cc1nc([C@H]2CCCN2C(=O)C#CB(O)O)no1	2255672140	BORTVHJRSYIIOE-MRVPVSSYSA-N	249.035	-0.943	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC2(CC1)CC2	2255679662	IIRRDAIYLDEHFE-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C[C@]12CC[C@H]1CN(C(=O)c1occc1B(O)O)C2	2255743387	NWEMIOKPWHRXGP-QPUJVOFHSA-N	249.075	-0.169	50	10	BBGE	
O=C(N=c1cc[nH][nH]1)Nc1ccc(B(O)O)cc1	2255910050	OXTOIAGFMKGCRE-UHFFFAOYSA-N	246.035	-0.845	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1nccnc1B(O)O	2256052017	IQEQFQYNXKNCAL-JGVFFNPUSA-N	249.079	-0.925	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2cc(B(O)O)ccc21	2256596275	WIQIQVVOSZXVLJ-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
Cc1cccc(C(=O)NCCC#CB(O)O)c1N	2258974625	YFBCMMFWUCLOOM-UHFFFAOYSA-N	246.075	-0.287	50	10	BBGE	
C[C@H]1CCN(CCNc2cc(B(O)O)ccn2)C1	2261462421	LNWUUNCHWOBYNK-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
N#C[C@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)CCO1	2298165498	FWJZPMVFUWJJDO-KXUCPTDWSA-N	238.291	-0.773	50	10	BBGE	
O=C(N[C@H]1CCCC12CNC2)[C@@H]1C[C@H]1B(O)O	2298377593	XGLMIOIYIFVFTK-HLTSFMKQSA-N	238.096	-0.892	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298463642	PVKAOUPFISJKPK-HSNKUXOKSA-N	241.052	-0.924	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CO[C@H]1C2)C1CC(B(O)O)C1	2298554894	CPBRKKIUFNEFIB-RDCBJUDBSA-N	239.080	-0.467	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)CO2	2300496180	GPXLBEJCZOVWOS-VCMDJLOCSA-N	239.080	-0.467	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2301420214	BOSBCYGXKYZHSI-MNOVXSKESA-N	235.048	-0.622	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)N3CC[C@H](B(O)O)C3)C[C@H]12	2303110363	ZMFOVKVHGSXHGO-YSSBGUOXSA-N	239.080	-0.513	50	10	BBGE	
CCn1nnnc1CN1CC[C@@](C)(B(O)O)C1	2303136512	VCNGIGODMBUYQC-SECBINFHSA-N	239.088	-0.868	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]1CN2C)C(=O)NN	2303414310	WTKKOQBGAFDACV-JBLDHEPKSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1C[C@H]1N	2303851926	HMHABHXILMSIAB-QIOHGKGESA-N	240.043	-0.985	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317163744	RLNSYXXSBNGWFD-VHRDEZTHSA-N	246.075	-0.581	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CC[C@@H]1N	2317205690	HRAUFBCAUBNNAF-KCJUWKMLSA-N	246.075	-0.646	50	10	BBGE	
CN1CC[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317311676	TYSPIRDDFWZWKJ-LLVKDONJSA-N	249.075	-0.738	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCCCNC=O	2324224496	UWTXFPNTWIZVLC-UHFFFAOYSA-N	238.291	-0.354	50	10	BBGE	
Cc1ccn(C[C@@H]2CC[C@H](C(=O)NN)O2)n1	70687548	XFGNXPAFGWBQSP-DTWKUNHWSA-N	224.264	-0.271	50	10	BBGE	
CCCN(C1CCNCC1)[C@@H](C)C(=O)NN	84689450	SQAOVBZJBPIAKF-VIFPVBQESA-N	228.340	-0.171	50	10	BBGE	
C[C@H](CSC[C@H](C)CO)C(=O)NN	85140672	CVDBUGZSYAPNAI-RNFRBKRXSA-N	206.311	-0.026	50	10	BBGE	
C[C@H]1CO[C@@H](CO)CN1C(=O)CCl	88091719	SAUWXJQRGAFNSE-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
CN1C(=O)[C@H]2SS[C@H]1C(=O)N2C	100378903	YVXJPXFQXBPZBA-OLQVQODUSA-N	204.276	-0.036	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(O)CCCC1	162485345	PNJMRHLXBKRRTN-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](NC(=O)NC(=O)CCl)C(=O)NC1CC1	162614471	AHTJAFWPCYGCEI-RXMQYKEDSA-N	247.682	-0.282	50	10	BBGE	
CC[C@H]1CN(Cc2ccccc2B(O)O)CCO1	199011435	MTDMZHISHFVFFY-LBPRGKRZSA-N	249.119	-0.023	50	10	BBGE	
N[C@@]1(C(=O)O)CCS[C@@H]1CCCB(O)O	203787393	HXRXQLHBLUTUOJ-SVRRBLITSA-N	233.098	-0.473	50	10	BBGE	
COC(=O)[C@@H](C)NS(=O)(=O)CCCl	220251809	CUNAVVQNWRHSLI-RXMQYKEDSA-N	229.685	-0.294	50	10	BBGE	
CCN(CCOC)C[C@@H]1CC[C@@H](C(=O)NN)O1	223108972	TVGDHHCARWPGPL-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COc1ccc(OC[C@H](C)OC)c(B(O)O)c1	228668264	SZBXIQSHJHSDFP-QMMMGPOBSA-N	240.064	-0.211	50	10	BBGE	
C[C@H](CN1CCC[C@@](C)(O)CC1)C(=O)NN	230383846	LVAUMDACYQXVOG-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)OC[C@@H]1C	251579985	CIRAZEUGWCEXMM-AATLWQCWSA-N	245.323	-0.918	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C)c1nc(=O)[nH][nH]1	306977312	ASOQEVDGRJARRR-IMJSIDKUSA-N	218.644	-0.098	50	10	BBGE	
O=C(CCCl)N1CCOC[C@H](O)C1	307735358	XLLKFQRVWOUSCX-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
CC(CCSC[C@H](N)C(=O)O)=NNC(N)=O	309213252	IKOYMJVFAMCNRT-LURJTMIESA-N	248.308	-0.434	50	10	BBGE	
CSCCOC(F)(F)C(=O)NN	378695864	FSZWYZORFUDMHT-UHFFFAOYSA-N	200.210	-0.051	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](C)(CO)C1	381358037	JMNRYGZFSXJQKV-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
COC[C@@]1(C)CCN(C[C@H](C)C(=O)NN)C1	381374641	NPYLAZYTICPTHS-ONGXEEELSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1ccncc1O[C@@H]1CCCCO1	382071552	GBXRTWALAANNRF-SNVBAGLBSA-N	223.037	-0.333	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C[C@H](CO)C1	398834011	QFJNEDXBMYXULA-WPRPVWTQSA-N	243.307	-0.896	50	10	BBGE	
C[C@H](CN1CCC(CCO)CC1)C(=O)NN	400998992	FUMYVKXGQUBFGI-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
N#C[C@H](Cl)CN1CCN2C[C@H](O)C[C@@H]2C1	405281341	ZPHYRCKWACDCKT-IVZWLZJFSA-N	229.711	-0.132	50	10	BBGE	
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NN)C2	496251961	FPHMXIQQWREYNB-RNJXMRFFSA-N	242.279	-0.221	50	10	BBGE	
N#CC1(O)CCN(Cc2nnnn2C2CC2)CC1	685999488	PBIOWEIXMIPIGN-UHFFFAOYSA-N	248.290	-0.142	50	10	BBGE	
NNC(=O)C(=O)NCCC1SCCS1	693877895	XYOOWERUNLZVSV-UHFFFAOYSA-N	235.334	-0.711	50	10	BBGE	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCl	696833512	YXEPNWANBYVEFX-RITPCOANSA-N	241.696	-0.847	50	10	BBGE	
COc1ccc(C(=O)NCB(O)O)cc1O	701938089	JYVAJBYWBCXMEI-UHFFFAOYSA-N	225.009	-0.857	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CCCO2)C1	702940199	YEGMIEFUDCSQCB-QMMMGPOBSA-N	213.281	-0.380	50	10	BBGE	
C[C@H](OCc1ccccc1)[C@H](N)C(=O)NN	706088177	UPMDBQNDCBMGCF-WPRPVWTQSA-N	223.276	-0.091	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CN(C)CCO1	709408926	VDCKYLBCYPVLQJ-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CC[C@@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	710208941	HDOJADQXNWETAN-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccc(F)cc1B(O)O	713941272	MVLYUKPMAFQGNB-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H](F)[C@H](F)C2)O1	714558883	RSKAROLLYHGDPU-HXFLIBJXSA-N	249.261	-0.484	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)CCS1	720001307	STBFPRIPOBLJMK-SFYZADRCSA-N	225.741	-0.004	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@H]1CCCN2C)C(=O)NN	720445055	KEOYKWIHSXGJPX-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
O=C(CCCCl)N1CC(CO)(CO)C1	721400567	YHNYDYULTCKCHH-UHFFFAOYSA-N	221.684	-0.181	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2CCC1CC2	722806254	IPYAITQGPDMOBC-JTQLQIEISA-N	226.324	-0.465	50	10	BBGE	
CC(Cn1ccccc1=O)=NNC(N)=O	761724093	PCLVWLBGPFWVSN-UHFFFAOYSA-N	208.221	-0.108	50	10	BBGE	
NC(=O)NN=C1CCC[S@@](=O)CC1	853256284	OTXBYIPOTZFSQX-CYBMUJFWSA-N	203.267	-0.057	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@]1(O)CCOC1	862500563	SINANCSLTDNKFU-LLVKDONJSA-N	237.259	-0.594	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1cnsn1	884275438	MABNIVULLHXDTH-YFKPBYRVSA-N	239.260	-0.496	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)c1cnsn1	894288145	OYGUUFBIAWFELF-YFKPBYRVSA-N	244.276	-0.276	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1cccn1C	900002944	ZNZUNVNLBZSVTI-LVCFMKKZSA-N	237.259	-0.277	50	10	BBGE	
CC(=O)NNC(=O)C1(O)Cc2ccccc2C1	1135817993	HMZVVSKXKSUFJS-UHFFFAOYSA-N	234.255	-0.316	50	10	BBGE	
Cc1nnc(NNC(=O)c2cccc(O)n2)n1C	1148430141	PLBDIZDESOEQAD-UHFFFAOYSA-N	248.246	-0.019	50	10	BBGE	
O=C(NNc1ccncn1)[C@@]1(O)CCSC1	1298155662	VEGABIROESENRB-SECBINFHSA-N	240.288	-0.212	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1cnsn1	1303455315	APLQARSUPVPKKW-GFNSNHMOSA-N	242.260	-0.764	50	10	BBGE	
O=C(CO)NNC(=O)c1cc(Cl)ncc1F	1306820962	QDZWUXWKEJKVBZ-UHFFFAOYSA-N	247.613	-0.373	50	10	BBGE	
NC(=O)C(=O)NN=Cc1cnn2ccccc12	1322530480	HWBOWVJOCCGVEC-UHFFFAOYSA-N	231.215	-0.730	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCc1cnn(C)n1	1354051139	LZSOMYRERHPZKW-MRVPVSSYSA-N	241.295	-0.909	50	10	BBGE	
CCC[C@@H](OC)C(=O)NNC(=O)NC	1464435995	XRWSRFKNSPXFQM-ZCFIWIBFSA-N	203.242	-0.238	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncncc1F	1641589594	ZEELIQNQPQMSTB-UHNVWZDZSA-N	239.210	-0.820	50	10	BBGE	
Cc1ccnc(NNC(=O)c2nnn(C)n2)c1	1648644634	HJWIXRNKISIJSS-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NN	1880032132	VMXMZBOQJSCRQB-UHFFFAOYSA-N	241.251	-0.218	50	10	BBGE	
NC[C@@H](O)C(=O)NCC(Cl)Cl	1880162669	VEKRKQVGHGIFAN-GSVOUGTGSA-N	201.053	-0.774	50	10	BBGE	
NCCS(=O)(=O)NC1CC(Cl)C1	1880568708	PFMBLAKRKJXQTG-UHFFFAOYSA-N	212.702	-0.366	50	10	BBGE	
O=C(O)Cn1nnnc1[C@@H]1C[C@H]1Cl	1883645331	NTDRMCPCYQFBCH-QWWZWVQMSA-N	202.601	-0.148	50	10	BBGE	
CN1C(=O)O[C@H]2CN(C(=O)CCl)C[C@@H]21	1884552015	XOYJVLIEDHICHK-WDSKDSINSA-N	218.640	-0.113	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cn[nH]c1	1884831919	WOBVAXCTDRCYHX-ZCFIWIBFSA-N	233.680	-0.071	50	10	BBGE	
NNC(=O)C(=O)NCc1cscc1F	1885689644	TYVBNDRCUJSDEP-UHFFFAOYSA-N	217.225	-0.507	50	10	BBGE	
CCC(=O)NN(C)S(=O)(=O)C1CC1	1888561878	LHVKMTNDHICFNP-UHFFFAOYSA-N	206.267	-0.148	50	10	BBGE	
COC[C@H](C)COC[C@@H](C)C(=O)NN	1888728638	WSEAZQQDXPCOFA-JGVFFNPUSA-N	204.270	-0.089	50	10	BBGE	
O=C1NCCN(CCCCCl)C1=O	1891863261	UJALKFHKSPVHAF-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
N=c1[nH]c(=NC[C@H]2C[C@@H]2Cl)[nH]cc1N	1893119634	PNWAXICMZCLVPM-UHNVWZDZSA-N	213.672	-0.068	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCNC[C@H](O)C1	1893453443	NCBCRKXHMPUJHO-RNJXMRFFSA-N	218.684	-0.594	50	10	BBGE	
CCN(C[C@@H]1CCC[C@H](C(=O)NN)O1)OC	1896928460	JESNDZJYQAFJRI-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)cn2)CC=CCO1	1901360911	FGYBGVFFPNSGCC-JTQLQIEISA-N	222.053	-0.702	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	1902003049	GZWHYYNESARVHU-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
C=CC[C@@H](C)C(=O)Nc1ncc(B(O)O)s1	1903166626	OWYFCCJMUXUWHN-ZCFIWIBFSA-N	240.093	-0.026	50	10	BBGE	
N#CC1CN(C[C@@H]2CCC[C@@H](C(=O)NN)O2)C1	1909808742	PMQSEWWZDLKITH-UWVGGRQHSA-N	238.291	-0.631	50	10	BBGE	
CO[C@@H](C(=O)NNCCO)C1CCC1	1929836121	DAPNLWFGKDZGOD-MRVPVSSYSA-N	202.254	-0.585	50	10	BBGE	
NC(=S)NNC(=O)CC1CC(F)C1	1930878511	OFYYRUXHIMPLET-UHFFFAOYSA-N	205.258	-0.011	50	10	BBGE	
Cc1cn(CC2(C(=O)NN)CC2)c(O)n1	1931267555	WBNSTRDVTMQLPW-UHFFFAOYSA-N	210.237	-0.333	50	10	BBGE	
C[C@H](N(C)C(=O)C(=O)NN)C(F)(F)F	1931595996	RORXZSZEVQRTSE-VKHMYHEASA-N	213.159	-0.615	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1COC[C@H]1O	1933390811	ZHNGIQOBTZOYSJ-DSYKOEDSSA-N	207.657	-0.263	50	10	BBGE	
CN(CCOCC(=O)NN)c1ccc(O)cc1	1941783618	IAIXUWFBLPQSHZ-UHFFFAOYSA-N	239.275	-0.165	50	10	BBGE	
O=C(NNCCO)c1ccc2nccnc2c1	1944215442	IJDRGVXJPVKOSO-UHFFFAOYSA-N	232.243	-0.144	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H](CO)[C@H](C)O	1953744957	HDXRQGSRLSWNDV-HCWXCVPCSA-N	240.097	-0.372	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955549877	SQPRQEMKIGCUIE-XRRXOLGASA-N	219.668	-0.432	50	10	BBGE	
OC[C@@]1(O)CCCN(C[C@@H](O)CCl)C1	1956260849	RLYQULPQGRFGMT-DTWKUNHWSA-N	223.700	-0.595	50	10	BBGE	
CC(C)[C@H](CN)SCCOCC(=O)NN	1958114866	QQKPXDVJTMEIPX-QMMMGPOBSA-N	235.353	-0.291	50	10	BBGE	
COC[C@H]1C[C@H](N2CC(=O)OC(=O)C2)C1	1959514841	LAZMPMASSBSPSA-ZKCHVHJHSA-N	213.233	-0.203	50	10	BBGE	
CN(CCCC(=O)NN)c1cnn(C)c1	1961352149	IWYRUYPQHGTOLS-UHFFFAOYSA-N	211.269	-0.374	50	10	BBGE	
C[C@H]1c2cccn2CCN1CC(=O)NN	1961382696	YCLMUUVQIDHPRC-QMMMGPOBSA-N	208.265	-0.145	50	10	BBGE	
C[C@H]1C[C@H](OC[C@@H]2C[C@H]2C(=O)NN)CO1	1961629283	OSCOESKXVNHYNT-XSPKLOCKSA-N	214.265	-0.194	50	10	BBGE	
CC(F)(F)COc1ncc(B(O)O)cn1	1961686444	DTMVHKOEDKXNBT-UHFFFAOYSA-N	217.968	-0.810	50	10	BBGE	
CON(c1nc(B(O)O)cs1)C1CCC1	1961717744	FQDQROMMAHBPEV-UHFFFAOYSA-N	228.082	-0.257	50	10	BBGE	
NC(=S)NNC(=O)c1ccc2nncn2c1	1976537380	CCPBGONTYPRGOW-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)C2(CCC2)C1	1978832459	RTCFXTKCKDIMOO-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H]1CCN1Cc1c(C(=O)NN)cnn1C	1980592917	KYOROQGNPYLWEZ-ZETCQYMHSA-N	223.280	-0.382	50	10	BBGE	
Cc1nc(N2CC(F)(F)C2)ccc1B(O)O	1981469542	USJHCIPPHAVMMQ-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
CCC1(O)CN(CCC(F)(F)C(=O)NN)C1	1984128461	PABJBOPHEGFYMS-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H](CN1CC[C@]12C[C@@H](CO)C2)C(=O)NN	1985561743	JQSSCRLDEPMSGL-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)CC(=O)NN)[C@H]2C1	1988792445	KWIZTJRFZOXDNJ-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H]1CF	1989256162	CCEDQAPJMKQBEU-JGVFFNPUSA-N	225.028	-0.866	50	10	BBGE	
NNC(=O)CCCCCN1CC([N+](=O)[O-])C1	1989301044	ROSXVSZMMUBISP-UHFFFAOYSA-N	230.268	-0.502	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@H]2C[C@H]21	1990776883	QQXRXOZMEHKTTK-IVZWLZJFSA-N	225.292	-0.116	50	10	BBGE	
N=c1nc2ccc(=NC[C@@H]3C[C@@H]3Cl)[nH]n2[nH]1	1991439545	STOIUUOQEGZAMP-WDSKDSINSA-N	238.682	-0.002	50	10	BBGE	
NC1(CO)CCN(C(=O)C=CC(=O)Cl)CC1	1991648174	LSXGNAKBILMXME-UHFFFAOYSA-N	246.694	-0.380	50	10	BBGE	
C=C(CN(C)C[C@@H]1CCCN1CC)B(O)O	1992159783	OKFHIQZTZCMCNB-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)CCC12CCC2	1994869715	ZTHGIMGSWDPBBQ-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@@H](C)C(=O)NN	1995336637	FVWKHLDRXBAILB-UTLUCORTSA-N	229.324	-0.031	50	10	BBGE	
Cc1cocc1C(=O)N[C@@H](CB(O)O)C(=O)O	1998132479	GMAQNTBEEZRANZ-ZETCQYMHSA-N	241.008	-0.756	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)C2O	2002477385	IPENPTRGKSKCJZ-JDUUOCRZSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(=O)NC2	2003957080	HZKAWCARTDGZQE-CIUDSAMLSA-N	240.307	-0.892	50	10	BBGE	
CC1(F)CCN(c2ncncc2B(O)O)CC1	2004917527	XENKTJHYRPVVIZ-UHFFFAOYSA-N	239.059	-0.515	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@]3(C)C2)c1B(O)O	2004917936	GYJQGJMZNRQOHF-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]3C[C@@H]32)n1	2005014173	HSIXSPBSPQZJEZ-WPRPVWTQSA-N	233.080	-0.546	50	10	BBGE	
COC[C@@H](C)N(C)c1ncc(B(O)O)cc1C	2005014929	SWPMGVGRVCXIAH-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
CO[C@H](C)CN(C)c1nc(C)ccc1B(O)O	2005015091	VYGDBFSYTKNEJM-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@@H](CO)C[C@H]2C1)C(=O)NN	2005993124	ZQSCVSSVSLIYOG-AEJSXWLSSA-N	241.335	-0.437	50	10	BBGE	
NC(=O)NNC(=O)c1ccnn1[C@H]1CC1(F)F	2008765458	OABVIWIVJPDZNN-YFKPBYRVSA-N	245.189	-0.224	50	10	BBGE	
O=C(NCCc1ccc(B(O)O)cc1)C1CC1	2008781893	XRZPLJMFDBPPDB-UHFFFAOYSA-N	233.076	-0.565	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(N2CCCC2=O)C1	2011137167	KKWLSPUWEUMSSF-QMMMGPOBSA-N	240.307	-0.939	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H]1CC(N)=O	2011912128	FOLWJMWATIBUAX-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
Cc1cc(C)n(-c2ncc(F)cc2B(O)O)n1	2014933340	XZFWWHFOFYZVJB-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@H](C)CN(C)C	2019213371	MZNHBILDWTWQSV-SECBINFHSA-N	244.339	-0.574	50	10	BBGE	
O=C(NCC#CB(O)O)N[C@@H]1C[C@H]2CC[C@H]1C2	2021128951	PSCANVYKTPZHPX-LPEHRKFASA-N	236.080	-0.510	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)Nc2ncc(B(O)O)cn2)C1	2040762293	BAMRBQZJMSJSQG-JGVFFNPUSA-N	249.079	-0.469	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ncc(B(O)O)c(C)n1)C2	2052560260	VKVPVKDVHWXWBA-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)c1cnn(C)c1	2052619341	DNEYWSCEMQTCFI-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC[C@H]3C[C@@H]32)n1	2052620557	VLECRICEWMCDQF-ATZCPNFKSA-N	247.107	-0.300	50	10	BBGE	
OB(O)c1cc(OCc2cncnc2)ccc1F	2058409534	YZIHMJOXEVFUCT-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CCc1c(OC)ccc(C#N)c1B(O)O	2060262310	NEMZDCUEEKGCDW-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@H]3C2)n1	2068129734	PDHYDHPHFQGZPW-UWVGGRQHSA-N	247.107	-0.299	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@@H]1[C@H]2COC[C@H]21	2068638983	HUSDHGIUFUTDGC-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
C[C@H]1COCCN1Cc1cc(B(O)O)cs1	2211072946	UAERPSRMYIPCSY-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)CC(C)(C)CO	2215776409	MPSJJCAWBSTMMU-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
OCCN(c1cc(B(O)O)ccn1)C1CCC1	2217179558	MMSJDPSQFIDWSW-UHFFFAOYSA-N	236.080	-0.887	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1nccc(B(O)O)c1F	2217182319	CAGKYPOGHNYASM-SVRRBLITSA-N	240.043	-0.653	50	10	BBGE	
CCC(O)(CC)CNc1ccc(B(O)O)cn1	2217198096	WMGCVCJDNWNFCM-UHFFFAOYSA-N	238.096	-0.276	50	10	BBGE	
C[C@]1(CO)C=CCN1Cc1cccc(B(O)O)c1	2221463792	MQHHUFXRAXINTN-CYBMUJFWSA-N	247.103	-0.511	50	10	BBGE	
COC[C@]12C[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223627897	OGQHSKHPDIWNFS-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@]1(C)CN	2223633499	XKYZZSKCBKIIPM-SKDRFNHKSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2CC[C@H]1N2	2223668234	XTMNJOSUDPNPBK-FBIMIBRVSA-N	247.107	-0.544	50	10	BBGE	
COC1CC2(C1)C[C@H]2Nc1cc(B(O)O)ccn1	2223679065	LGAVQHYVUSDFFA-SQLBVSGCSA-N	248.091	-0.259	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1C[C@@H]1B(O)O	2241481041	QHZBORYTOHISPD-IMJSIDKUSA-N	225.868	-0.231	50	10	BBGE	
CCC1CN(C(=O)c2nscc2B(O)O)C1	2243348890	BLEWPUOODYEYNS-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC2C[C@@H]3C1[C@@H]3C2	2243362100	MDKORVONRSAIOE-ZRFWENAYSA-N	219.049	-0.838	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)C2(B(O)O)CC2)C1	2243365902	UPXUBKHRJBYOCF-SFYZADRCSA-N	226.085	-0.811	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)O	2243396155	IIVLXDAWILBICV-FXQIFTODSA-N	229.085	-0.485	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H]1CO	2243413467	GXXPVGGTDYXOMH-AMDVSUOASA-N	227.069	-0.777	50	10	BBGE	
CCNc1ccccc1C(=O)NCB(O)O	2244499384	WPRKZPOHLWXYFI-UHFFFAOYSA-N	222.053	-0.140	50	10	BBGE	
CN1CC[C@](C)(COC(F)(F)C(=O)NN)C1	2246302081	MVUZRAQXOOJPDV-QMMMGPOBSA-N	237.250	-0.073	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)c1ccncc1B(O)O	2247721724	HBSBIZKNNGVIEA-MRVPVSSYSA-N	236.080	-0.464	50	10	BBGE	
CC[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247732887	KJZWVTMFWLGQRL-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC[C@H](NC(=O)c1coc(B(O)O)c1)C(F)F	2247737150	DESQNWMAHJBCHY-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCC12CC2	2247740979	SFWAXHWLELHXMU-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2CC=CC[C@@H]2C1	2247742526	PWJOHSGTOZFSIT-NXEZZACHSA-N	233.076	-0.137	50	10	BBGE	
Cc1cn(C)[nH]c1=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786710	FQIVBRRQCONFEX-OCAPTIKFSA-N	237.068	-0.658	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@H]1[C@@H]2CO	2247787153	LPZXVJWBQNIWEY-SPFKKGSWSA-N	239.080	-0.921	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@@H]1B(O)O	2247796606	BESDLIBHNNFRQD-JXUBOQSCSA-N	241.096	-0.483	50	10	BBGE	
CC(C)[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247806546	FWRCUYMBLSNCTB-NGZCFLSTSA-N	241.096	-0.531	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1ccoc1B(O)O	2247866539	NYSKGRQTZUQOEN-UHFFFAOYSA-N	237.064	-0.099	50	10	BBGE	
C[C@@H]1CN(C(=O)c2coc(B(O)O)c2)C[C@@H]1F	2247869949	BGUXYPUYXMDHPM-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](CO)CC1CC1	2247886371	BCPCITKMHNXCDF-AEJSXWLSSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1(CO)CC1	2247887184	LFEHFIZOTSDWRU-IWSPIJDZSA-N	241.096	-0.483	50	10	BBGE	
COC1CC(CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887889	SQHMUNPHFIDHIB-YDYPAMBWSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@H]1CC12CC(O)C2)C1CC(B(O)O)C1	2247892866	IYDZIVUTYHCIKM-LKRCYJTCSA-N	239.080	-0.731	50	10	BBGE	
C[C@H]1C[C@]1(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586611	DESUZQIMLMPBIC-CLIVKXMMSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCCC#CB(O)O	2249999421	VPKBYAIEFRUZSI-KXUCPTDWSA-N	239.080	-0.678	50	10	BBGE	
N[C@@H]1CC[C@@H]1CNc1nccc(B(O)O)c1F	2250300733	DCARUQDOLPDGNF-HTRCEHHLSA-N	239.059	-0.950	50	10	BBGE	
N[C@H]1C[C@@H]1c1ccc(NC(=O)C#CB(O)O)cc1	2255462516	WJCRATHDYOZFQE-MNOVXSKESA-N	244.059	-0.545	50	10	BBGE	
NCc1cccc(CNC(=O)C2(B(O)O)CC2)c1	2255487681	STNGSFDJRWXFPQ-UHFFFAOYSA-N	248.091	-0.232	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CCCC[C@@H]21	2255726696	GLTRKOGXTFKVIQ-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@H]3C[C@@H]3C2)c(B(O)O)c1	2255792898	OWAAIKPCCHYXFK-RKDXNWHRSA-N	246.075	-0.838	50	10	BBGE	
CCc1c[nH]nc1NC(=O)c1cc(B(O)O)co1	2258128813	SDQJYZRWNFBGIP-UHFFFAOYSA-N	249.035	-0.503	50	10	BBGE	
CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298377303	MELQRFIUESIDHZ-HKBCETJISA-N	241.096	-0.077	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN(CCCC(=O)NN)C2	2299131110	FIBUZYIPNZZSCG-PHIMTYICSA-N	240.351	-0.075	50	10	BBGE	
COC[C@H](C(=O)NN)N1Cc2cccnc2C1	2300094352	TZSXISRDYLGLNN-SNVBAGLBSA-N	236.275	-0.598	50	10	BBGE	
O=Cc1ccc(N[C@@H]2[C@H]3CC[C@H]32)cc1B(O)O	2301452384	GYWOBCSLEFFGRU-IAZYJMLFSA-N	231.060	-0.001	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C(CO)[C@H]2C1)C(=O)NN	2303411245	UAOVOZLUWKIIFH-HOTUBEGUSA-N	241.335	-0.437	50	10	BBGE	
Cc1nc(C)n(-c2cc(B(O)O)c(F)cn2)n1	2303836018	GRHZAWSNDCANAY-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCC[C@@H]3CCO[C@H]32)n1	2307112520	NFLCXRZHHUASTR-FXPVBKGRSA-N	236.080	-0.307	50	10	BBGE	
CN1CC[C@H](Nc2ccc(B(O)O)cc2C#N)C1	2317150648	HSPZSPYFNRJWHM-NSHDSACASA-N	245.091	-0.646	50	10	BBGE	
CO[C@H]1O[C@@H](CCl)[C@@H](Cl)[C@@H](O)[C@H]1O	5063590	VPDVIMQPZYMQKN-CJZRUXIPSA-N	231.075	-0.074	50	10	BBGE	
NNC(=O)N(CC(N)=O)C1CCCC1	42440737	OEJKAICFEPITKD-UHFFFAOYSA-N	200.242	-0.700	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)[C@@H]1CCNC1	71310803	IIEDSKMHENBQLG-SNVBAGLBSA-N	249.318	-0.182	50	10	BBGE	
C[C@H](CN1CCC(CN(C)C)CC1)C(=O)NN	104115286	AROADZIVHVWKAN-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
C[C@@H]1COCCN1C[C@@H]1CC[C@H](C(=O)NN)O1	110575399	MFPXGIXGVREATI-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](C(=O)NN)C(C)C	110588363	FGOCOSPUJUMBMJ-JTQLQIEISA-N	244.339	-0.412	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@@H](C(=O)NN)C(C)C	110593341	WVHWOHNFSNCKRG-SNVBAGLBSA-N	244.339	-0.543	50	10	BBGE	
CC[C@@H](C(=O)NN)n1nnc(-c2ccco2)n1	113190374	ZJTDSFHMCDKRQQ-LURJTMIESA-N	236.235	-0.126	50	10	BBGE	
CCN(CCCO)[C@H](C)CC(=O)NN	124935422	NYBAWVNYGFKOBC-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
Cn1ccn(C[C@H](Cl)C(=O)O)c1=O	132873450	GQSQBQFNHUXUCN-YFKPBYRVSA-N	204.613	-0.121	50	10	BBGE	
O=c1ccc(=O)n(C[C@H](O)CBr)[nH]1	157819041	WTUFFDLSBNMMNB-RXMQYKEDSA-N	249.064	-0.708	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]([C@@H](C)O)C1	166154251	GSOKMSPPQIXHGX-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	230921052	KICKLFFRFYNUCM-KCJUWKMLSA-N	242.323	-0.930	50	10	BBGE	
CNC(=O)[C@@]1(C)CCN(CCCC(=O)NN)C1	230921207	WAUAMDATGKBZFU-NSHDSACASA-N	242.323	-0.786	50	10	BBGE	
CC[C@@H]1CCCN1[C@@H](COC)C(=O)NN	232418806	OWFCCFNVBTWXSS-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(C)C(=O)NN(C(N)=O)C(=O)N(C)C	238307113	HXVXUYRBNPCYKG-UHFFFAOYSA-N	217.229	-0.765	50	10	BBGE	
Cc1nc(C(=O)NC[C@H](O)CCl)no1	238485890	BQIIWDDXQDXWCH-RXMQYKEDSA-N	219.628	-0.292	50	10	BBGE	
Nc1nccc(Br)c1B(O)O	238697487	MKXJDEQCBSAADW-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2c(c1)CC(=O)N2	259078936	ZDWPKJFIJSQSHK-VIFPVBQESA-N	220.232	-0.829	50	10	BBGE	
C[C@H](Br)C(=O)NCc1nnnn1C	306731824	GQSYXGQQSMAUBY-BYPYZUCNSA-N	248.084	-0.390	50	10	BBGE	
O=C(O)c1cc(Br)ccc1B(O)O	307281020	JTJJWCLBLGJKDA-UHFFFAOYSA-N	244.837	-0.173	50	10	BBGE	
Cc1ccc(CN2CCN(C)CC2)cc1B(O)O	313751826	PZVUDPVPWPUTHJ-UHFFFAOYSA-N	248.135	-0.578	50	10	BBGE	
CNC(=O)C[C@H](C)NS(=O)(=O)CCCl	322637166	BBSVQTUKHHXRQK-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
NC(=O)C(=O)NN=C1CCCSC1	382154205	QUBSVHRRRLPEIY-UHFFFAOYSA-N	201.251	-0.529	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)C[S@](C)=O	388793988	MQIDYLUJEOEYOL-QSGQRGAGSA-N	206.267	-0.832	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C1(C)C	393788254	ZTNWEYACIDAWPA-DJLDLDEBSA-N	229.324	-0.154	50	10	BBGE	
CCC1(O)CN(CCC(C)(C)C(=O)NN)C1	395603647	YZWBXJATFZBUTJ-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CCOc1cccc2nc(B(O)O)oc12	396100878	FEBOXXFFNZFJRN-UHFFFAOYSA-N	206.994	-0.094	50	10	BBGE	
Cc1ncoc1C(=O)Nc1cc(B(O)O)ccn1	404995350	HCQYBIWKEHOIBB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1cccc1C(=O)Nc1cc(B(O)O)ccn1	404995506	HCMAADJYEFIUJZ-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
C[C@H](CO)[C@@H](C)NCc1ccccc1B(O)O	585025493	VUZVXAWKKKVGGT-NXEZZACHSA-N	237.108	-0.527	50	10	BBGE	
C[C@@H](O)CCNCc1ccccc1B(O)O	585031036	OTHPMGGERQQITP-SECBINFHSA-N	223.081	-0.773	50	10	BBGE	
CCN1CC[C@H](N(C)CCC(=O)NN)C1	689048643	PZYUVLWEECPAHX-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCN(C)C1=O	690211737	LKHOCJYLUHXBIG-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
COC(=O)NC(=O)CN1CCC(O)(C#N)CC1	692124959	YMYWSYDLJRKURZ-UHFFFAOYSA-N	241.247	-0.781	50	10	BBGE	
C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Cl	697200949	LKXITNPCNNCQRW-NTSWFWBYSA-N	229.671	-0.091	50	10	BBGE	
COC[C@@H](Cl)CCNC(=O)c1nnn(C)n1	697224118	UCVBRTMXBKTNTA-LURJTMIESA-N	247.686	-0.416	50	10	BBGE	
NNC(=O)c1csc(Cn2ccnn2)n1	699000656	BSYDBKHQXZUXQZ-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
O=C(NCB(O)O)c1cncc(Cl)c1	706507905	XMOIJVWNVWKXIO-UHFFFAOYSA-N	214.417	-0.523	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)Cc1nnnn1C	707483717	ZQQVTHXEIHWNSR-RXMQYKEDSA-N	217.660	-0.204	50	10	BBGE	
CC(C)(CN1C[C@@H]2COC[C@H]2C1)C(=O)NN	718252488	PNURHGSILKSPEP-RKDXNWHRSA-N	227.308	-0.419	50	10	BBGE	
CN(CCCCO)CC(=O)NNC(=O)C1CC1	788279398	RAOVYNUPRXYJDG-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
COCCCC=NNC(=O)c1cn(C)nn1	853384963	YSGNKLMHURXALJ-UHFFFAOYSA-N	225.252	-0.043	50	10	BBGE	
O=C(NNc1ccccn1)C1CS(=O)(=O)C1	867242888	PBMIZTUMGHTADD-UHFFFAOYSA-N	241.272	-0.431	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	897837772	LUPIYQWJGRLWLM-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC1=NCC(=O)N1C	912501029	YPCPYAJBKVVBHQ-VOTSOKGWSA-N	236.231	-0.625	50	10	BBGE	
C/C(C#N)=C/Cn1nnc2c(cnn2C)c1=O	1165841642	PGQZMFGMYLERHQ-CLTKARDFSA-N	230.231	-0.005	50	10	BBGE	
O=C(NNc1ccncn1)[C@]1(O)CCSC1	1298155663	VEGABIROESENRB-VIFPVBQESA-N	240.288	-0.212	50	10	BBGE	
CCOCCOCC(=O)N1CC[C@@H](B(O)O)C1	1331894402	DMPGIUOEWZEGAB-SECBINFHSA-N	245.084	-0.885	50	10	BBGE	
COCCN(C)NC(=O)[C@]1(C)CCC(=O)NC1	1449366373	HEQSYRLRBAXALT-LLVKDONJSA-N	243.307	-0.488	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1cnnc(O)c1	1450904807	SUYXJPFLKBLXAI-UHFFFAOYSA-N	241.276	-0.737	50	10	BBGE	
O=C(NNC(=O)C1(CF)CCC1)c1cnn[nH]1	1543026381	BWPXOZZLKBZUIT-UHFFFAOYSA-N	241.226	-0.295	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1cnn(C)n1	1543986144	ULBAZUXNUKSNMN-UHFFFAOYSA-N	240.267	-0.902	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNc1ccncn1	1569313667	GUECJQDSIPTSJP-SECBINFHSA-N	208.221	-0.143	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)n(C)n1	1584321916	IFHROXNPLBHOOV-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cc[nH]n1	1584327233	QSYDMDHGYUVUKZ-SECBINFHSA-N	224.220	-0.892	50	10	BBGE	
N#CC1(C(=O)NNC(=O)c2ncon2)CCCC1	1585613811	PFDQSRANRUPYMP-UHFFFAOYSA-N	249.230	-0.085	50	10	BBGE	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1nc[nH]n1	1638772110	HBJOYWLQVTWPQP-PHDIDXHHSA-N	239.235	-0.553	50	10	BBGE	
O=C(CCCCl)N1CCNCC1=O	1866331714	CAIMQVZVEZAULO-UHFFFAOYSA-N	204.657	-0.036	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@@H]1C[C@@H]1Br	1877372013	BPISNAZMBGRMHM-WHFBIAKZSA-N	246.112	-0.155	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1C[C@H]1Br	1880434420	QBKWXBZAJXWZQU-CRCLSJGQSA-N	221.054	-0.063	50	10	BBGE	
O=C1NC(=NC[C@H]2C[C@@H]2Br)NC1=O	1883528997	FZATXFVHWUTDAW-DMTCNVIQSA-N	246.064	-0.628	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H](O)CF	1883646701	CBVMZKKXWKOPCR-WYPBCBNTSA-N	209.604	-0.245	50	10	BBGE	
C[C@H](CCl)CNS(=O)(=O)c1nc[nH]n1	1885226056	JJQWQQMGCXQRMX-RXMQYKEDSA-N	238.700	-0.042	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC(CF)CF	1886033561	OTPRABAYKLGKGA-VDTYLAMSSA-N	208.208	-0.063	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@H]1CNCCO1	1893107874	OXFCHJDUHANNQA-XLPZGREQSA-N	218.684	-0.282	50	10	BBGE	
N#C[C@@H](Cl)CN1CC2(COC(=O)N2)C1	1893451338	LKHHUQJVVGPZCN-ZCFIWIBFSA-N	215.640	-0.088	50	10	BBGE	
CNCCOCCNC(=O)[C@@H]1C[C@H]1Cl	1893454175	UMHZVQJYGXGTCC-HTQZYQBOSA-N	220.700	-0.034	50	10	BBGE	
O=C(O)[C@@H](CCO)NC(=O)[C@H]1C[C@@H]1Cl	1893475061	PKLMFHJMGVZVPH-HCWXCVPCSA-N	221.640	-0.435	50	10	BBGE	
O=C(CCl)NC(=O)N1CC(=O)N[C@@H]2CC[C@@H]21	1894995504	DGIVGVGGBYQMDG-RITPCOANSA-N	245.666	-0.576	50	10	BBGE	
CN(C)C1CC(OC[C@@H]2C[C@H]2C(=O)NN)C1	1896135118	PKNHZBMOFUCBGU-AUXWQGHOSA-N	227.308	-0.278	50	10	BBGE	
C=CCC[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1901377362	NISUQSLFSHNRLY-MRVPVSSYSA-N	249.336	-0.407	50	10	BBGE	
CC[C@](C)(CN1CCC12COC2)C(=O)NN	1902716657	VWESFCXJPLCBMS-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H]3CC[C@@H]32)nc1	1907073167	XAYXUNQFZIDQJA-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
CN1CC(N(C)C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908357180	FGGOTOJIYCIJJG-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1913438503	DRNMSDFBNXTMMK-YUMQZZPRSA-N	249.336	-0.718	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(=O)N(C)[C@@H](C)C1	1926006523	QMNKKHVSLLJFPC-CIUDSAMLSA-N	242.323	-0.837	50	10	BBGE	
C[C@@H]1OCC[C@H]1SCCOCC(=O)NN	1928181198	KYJKYAHWKOZKSW-JGVFFNPUSA-N	234.321	-0.097	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N[C@@H]1COC[C@H]1Cl	1928973156	UFLPPNJIJFZBKD-LURQLKTLSA-N	221.684	-0.004	50	10	BBGE	
OCC1[C@@H]2CN(C[C@@H](O)CCl)C[C@@H]12	1929054852	NXKCBZOCDLZVDR-XLPZGREQSA-N	205.685	-0.244	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C[C@@H]1C	1929939919	UTHZZIRWGMHCGJ-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](CCNC(=O)C(=O)NN)COC	1932149028	VVQOGMLMDHKYKZ-ZETCQYMHSA-N	217.269	-0.845	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@@H](OCC(N)=O)C1	1936462664	DJCIAPPLQHAPQU-JGVFFNPUSA-N	248.710	-0.036	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC(F)(F)C1	1936711703	DRHSTYANTRAXMK-SSDOTTSWSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)CCCCN1CC2(CC(O)C2)C1	1937044353	XWYBVTHMLKOZAO-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
CO[C@@H]1CCC[C@H]2CN(CC(=O)NN)C[C@@H]21	1938088761	VAHVRQJUCMGLLX-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
CCC[C@@H](OCCO[C@@H]1CCOC1)C(=O)NN	1940246785	UPVPHISGFXBGBX-NXEZZACHSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN(C2CC2)C1=O	1940886349	IZTUWJMYYYSODJ-UHFFFAOYSA-N	248.233	-0.488	50	10	BBGE	
CN(Cc1ccncn1)C[C@H]1C[C@@H]1C(=O)NN	1941087851	CYARCSDPQOZAPN-SCZZXKLOSA-N	235.291	-0.466	50	10	BBGE	
CC1(CO)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941089338	JSFJRWNIFQIUAY-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
C[C@@]1(O)CON(Cc2ccc(C(=O)NN)o2)C1	1944774846	AEZHERGMLPNEJQ-JTQLQIEISA-N	241.247	-0.619	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1	1947536691	PQBIEIHIKHUDMC-SECBINFHSA-N	241.291	-0.749	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)C[C@@H](C)Cl	1954232463	PLSMRJNJAPQVJV-DSYKOEDSSA-N	209.673	-0.138	50	10	BBGE	
O=C1CN(CCOCCCl)CCN1	1954822227	LVKKFPVQFDRKCJ-UHFFFAOYSA-N	206.673	-0.326	50	10	BBGE	
CC[C@@H](C(=O)NN)N(OC)[C@H]1CCOC1	1960127977	ZZBXIHSUWWFONX-YUMQZZPRSA-N	217.269	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H]2C[C@H]21	1961509819	VZPASGRSMVVTCO-JQCXWYLXSA-N	211.265	-0.915	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC[C@H]1CCO	1961684289	OCJRVTZKIKMPOC-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2C[C@H]2CO)[nH]1	1975553117	QSMWLALADFYZKU-WDSKDSINSA-N	243.698	-0.720	50	10	BBGE	
NNC(=O)CCCN1C(=O)C[C@]12CCOC2	1976024359	OYZALIJKPWWYCD-JTQLQIEISA-N	227.264	-0.852	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1ncc(B(O)O)cn1	1981414026	MZUPCNVIRLWDHT-CBAPKCEASA-N	221.069	-0.609	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@H]2C1	1981422439	OQKXEIDPGMWNQN-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@@H]32)ncc1B(O)O	1981445883	PMYRLNBSPXFIAH-CBAPKCEASA-N	219.053	-0.937	50	10	BBGE	
CCCc1cnn(-c2nc(B(O)O)cs2)c1	1981455275	YHGYVUZHCABDDP-UHFFFAOYSA-N	237.093	-0.039	50	10	BBGE	
C=C(C)Cn1cnc2c(B(O)O)ncnc21	1982863257	QAKKZUXUMKPIJY-UHFFFAOYSA-N	218.025	-0.918	50	10	BBGE	
CCN1[C@@H](C)CN(CCC(=O)NN)C[C@@H]1C	1987303309	IMLZYEYPPPIHDD-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21	1988058621	HAITUBYMTXDHOA-UEWQFTGXSA-N	225.292	-0.526	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)CC(=O)NN)C[C@H]21	1988750563	BTAMXJQWJKJZRE-AXTSPUMRSA-N	227.308	-0.278	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)C1CC(CO)C1	1990046537	HWYYDYOXUDTTLN-RGWUEKKESA-N	227.308	-0.685	50	10	BBGE	
COC[C@@H](C)C(=O)N[C@H]1CCC=C1B(O)O	1991326630	IXJWWEXNZCRADO-APPZFPTMSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@H]1CCNC1=O	1991663799	YNYDASSRPZELJX-SSDOTTSWSA-N	244.678	-0.050	50	10	BBGE	
C=C(CN(C)[C@H]1CCN2CC[C@H]1C2)B(O)O	1992145044	FCMFEGNWZYTWTQ-QWRGUYRKSA-N	224.113	-0.419	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@H](F)C1	1992152449	FFPZGBAMSHMGMH-BDAKNGLRSA-N	227.044	-0.354	50	10	BBGE	
C[C@H](CN1CC[C@H]2CCN(C)[C@@H]2C1)C(=O)NN	1996607925	JDIXVPMBPJUFTQ-GMTAPVOTSA-N	240.351	-0.362	50	10	BBGE	
CCO[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)NN	1998884516	NBNDETACDNVOHN-DTWKUNHWSA-N	243.307	-0.218	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C1(CO)CCCC1	2003914818	ZRHVRPVPFORJLR-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CCCN([C@H]1CCNC1=O)[C@H](CC)C(=O)NN	2004315417	ZFKRDJOGYMSXGA-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@]2(CCO2)C1	2004919442	YYCZMUCTTABICY-LLVKDONJSA-N	234.064	-0.869	50	10	BBGE	
C[C@H]1CCOC[C@H]1Oc1ccncc1B(O)O	2004950346	DWQBMYCSGSAZKT-GZMMTYOYSA-N	237.064	-0.435	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC3(CCCC3)O2)c1	2015572410	LBUXSBJIHUONLM-JTQLQIEISA-N	236.080	-0.335	50	10	BBGE	
CCc1ncncc1C(=O)NCC=CB(O)O	2020060786	CVUJFTNUKXPWGV-UHFFFAOYSA-N	235.052	-0.663	50	10	BBGE	
C[C@@H]1C[C@H]2CN(c3ccncc3B(O)O)C[C@H]12	2025800894	NSVHZRDRJANOJQ-KXUCPTDWSA-N	232.092	-0.146	50	10	BBGE	
CO[C@H]1[C@H](N(C)C(=O)C(=O)NN)CC12CCC2	2025885593	BQEZQRWZUNDRQW-SFYZADRCSA-N	241.291	-0.608	50	10	BBGE	
COCCC1CN(Cc2cccc(B(O)O)c2)C1	2034796622	DKDJGHAXJUXEBZ-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3CC[C@H]2NC3)CC1	2045359402	HKSNPGKICPXPIK-AXFHLTTASA-N	249.314	-0.139	50	10	BBGE	
Cc1cc(N2CC[C@H](N(C)C)C2)ncc1B(O)O	2052471646	GPVYQNVURLYZIT-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@@H]1CCN(C)C1	2052494852	RWZFDRIXHQBYFM-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(OC)cc1B(O)O	2060017811	FLLAENREGWTBLA-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
N#Cc1cc(Cl)c([N+](=O)[O-])c(B(O)O)c1	2060110368	PVQAJWNMOUBCSB-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
N#Cc1cc(OC(F)F)c(F)cc1B(O)O	2060263142	IJRVZEGMYQGKFX-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1ccccc1B(O)O	2079009868	LFDFLJLJVUBXON-SECBINFHSA-N	245.087	-0.104	50	10	BBGE	
Cn1cc(COCc2cccc(B(O)O)c2)nn1	2080318407	DNOFSLMIEXKENI-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCCOC1	2212614798	HIUZXLQECVXQEZ-MRVPVSSYSA-N	222.053	-0.648	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2[C@H](CO)[C@@H]2C1	2215773461	SQJXCSYOQXQTPV-MVCUBJFGSA-N	239.319	-0.827	50	10	BBGE	
CO[C@@H]1C[C@H]1CN(C)c1ncccc1B(O)O	2217171293	AERBBCPFQCOKFL-WCBMZHEXSA-N	236.080	-0.768	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](F)[C@@H](F)C2)c1F	2217181089	YEKYIQDUJBUFTD-BQBZGAKWSA-N	245.997	-0.603	50	10	BBGE	
COCC1CC(Nc2ccc(B(O)O)cn2)C1	2217200062	HOKXZGHIYNYTRI-UHFFFAOYSA-N	236.080	-0.402	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@H]1CN	2223632890	PJICIDYKVJGTBJ-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N2CCN(C)[C@@H](C)C2)cc1B(O)O	2223645778	BYMXADGAQSXYEW-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
OB(O)c1ccc(OC2C[C@@H]3CNC[C@H]3C2)nc1	2223653790	KQGXVRUAUNYUME-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
O=C(NCCCF)C1CC(B(O)O)C1	2241480474	KXRUOOOCPNDKLT-UHFFFAOYSA-N	203.022	-0.285	50	10	BBGE	
CCN(C(=O)c1coc(B(O)O)c1)C(C)C	2243346617	BKWRHLVFRFIODH-UHFFFAOYSA-N	225.053	-0.170	50	10	BBGE	
C[C@@H](CCCO)NC(=O)C1(B(O)O)CCC1	2243348516	YTSQSNYKDAVVLW-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(B(O)O)o1	2243362881	XTRPGYVAEVCKBF-ZCFIWIBFSA-N	225.009	-0.805	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)C[C@@H](C)O	2243364742	BOECEACATUTXPD-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
Cc1cc(C(=O)N2CC(F)C2)sc1B(O)O	2243367172	OUJLZKDWTDUFCA-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1COC1	2243381609	HDPJDZSPRMBVDG-OCAPTIKFSA-N	227.069	-0.513	50	10	BBGE	
NC1(CCNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2243383290	WPCIUXBOYWLIHA-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C#CB(O)O)[C@H]1C	2243399976	TWYJKCCDYGNLCP-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
CC[C@@]1(C)CN(C(=O)C#CB(O)O)CCO1	2243400081	VRAVGNAMBOQYDL-JTQLQIEISA-N	225.053	-0.971	50	10	BBGE	
CC1(NC(=O)C#CB(O)O)CC2(CCC2)C1	2243401881	YMPCAEXJXNYURS-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
Cc1cc(C(=O)N2CCC2)ccc1B(O)O	2243409884	QLPHYAOYXMJEFO-UHFFFAOYSA-N	219.049	-0.479	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC2CC1C2	2243410903	JZMPSUJVENVISZ-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
CN1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243415224	QKNSHCWDUWUHIZ-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
CC[C@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243419622	COYMZTZMDGTSGH-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1CC12CCC2	2243600249	VAJKLNWCSVXTSO-BDAKNGLRSA-N	221.065	-0.303	50	10	BBGE	
C[C@@H](O)CN(CCCC(=O)NN)C1CCC1	2244880966	BIXLRESQCCXICQ-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C#C[C@]12C[C@H](CCN1C(=O)C#CB(O)O)C2	2245064293	DACRQUVMDRLIKB-JGZJWPJOSA-N	217.033	-0.984	50	10	BBGE	
C[C@@H](C(=O)Nc1ccnc(B(O)O)c1)C(F)F	2247506440	WOJYTBKSRUFBAU-RXMQYKEDSA-N	244.006	-0.399	50	10	BBGE	
CN1CCN(CCOCCCC(=O)NN)CC1	2247691310	ZFQPNJHBJITAJU-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)C1(B(O)O)CCC1	2247736554	WUAIXECITABJPG-SECBINFHSA-N	243.112	-0.093	50	10	BBGE	
CC(C)(C)c1cc(=NC(=O)C#CB(O)O)[nH][nH]1	2247742874	VNPPFXKOQQQDFU-UHFFFAOYSA-N	235.052	-0.917	50	10	BBGE	
CC1(C)CCNC[C@@H]1NC(=O)C1(B(O)O)CC1	2247750876	PFOLTOSLOBHIMB-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
O=C(N[C@@]12CC[C@@H]1CNC2)C1(B(O)O)CCC1	2247755862	QZMLGUUZQDFNQJ-LDYMZIIASA-N	238.096	-0.748	50	10	BBGE	
CCCN(CC(=O)OC)C(=O)C1(B(O)O)CC1	2247757728	RIQJEXSUEGNCKU-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1n[nH]cc1B(O)O	2247784146	QBBVRMJXWMABHV-SSDOTTSWSA-N	237.068	-0.826	50	10	BBGE	
CCN(CC(=O)OC)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786771	GHSWJFUNDKVJHP-OCAPTIKFSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@H](CO)CC1	2247800242	NDIVTTNRXDVXFQ-IVZWLZJFSA-N	241.096	-0.530	50	10	BBGE	
O=C(NCc1ccnnc1)C1CC(B(O)O)C1	2247806236	DQVBQTRRKMXDLI-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2)[C@H]1C[C@@H]1B(O)O	2247809862	RTHWQQORZAKWPR-CVPUBMOQSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247859009	JJWZSRMMMDHCRL-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
COC1(OC)CCN(C(=O)C2(B(O)O)CC2)C1	2247870187	GBRUPRPEIDFIMQ-UHFFFAOYSA-N	243.068	-0.785	50	10	BBGE	
C[C@H]1CO[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247875625	ZMXAFCKBNJVQGI-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CCCC1(O)CN(C(=O)C2(B(O)O)CCC2)C1	2247877116	CBWVOXMRTZRHJJ-UHFFFAOYSA-N	241.096	-0.243	50	10	BBGE	
CC[C@](C)(NC(=O)C1(B(O)O)CCC1)C(N)=O	2247877556	IGRHYKDIVILAAM-VIFPVBQESA-N	242.084	-0.846	50	10	BBGE	
O=C(NC[C@@H]1CCCCNC1)[C@H]1C[C@H]1B(O)O	2247888430	ZKEFFLSLUNOYIF-KXUCPTDWSA-N	240.112	-0.645	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@@H]2CC[C@H]2C1=O	2248072579	SSJFJWHLHRNMIF-WCTZXXKLSA-N	237.259	-0.993	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2248579605	RSCMDGJOUCXZOX-BIIVOSGPSA-N	243.068	-0.439	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2248711395	OGFJDKBYDVSUFZ-QAEOJHPCSA-N	241.096	-0.219	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2CC[C@H]21	2249427461	GSMYYYYFGKYNBY-GMSGAONNSA-N	235.048	-0.416	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1(C2CC2)CC1	2255445574	WKQUOJBBRFESEB-UHFFFAOYSA-N	249.075	-0.060	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255497485	BTLHLZUBMDJJBE-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2255503891	KQUMPPMQRVHCAJ-SECBINFHSA-N	248.091	-0.647	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cc(C)c(B(O)O)o2)C1	2255577389	UDDVAACBPUIWSS-DTORHVGOSA-N	247.059	-0.591	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@H]2C[C@H]2C1	2255714787	WECPGJQOSPISLN-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
CC1(CCNC(=O)c2ncccc2B(O)O)CC1	2255717354	YQLWTFORSIEGQZ-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
CC/C=C\CNC(=O)c1ncc(C)cc1B(O)O	2255787782	DGUWQDANOAVYQC-PLNGDYQASA-N	248.091	-0.234	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2258141197	LWDVJNCOGXHHEB-BRPSZJMVSA-N	249.075	-0.265	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](Nc1ncccc1B(O)O)C2	2258427271	JXEGLFBKRQQKTI-NHCYSSNCSA-N	248.091	-0.259	50	10	BBGE	
CCc1ccnc(C(=O)NCCC#CB(O)O)c1	2258960855	LSPYQIKTVYXDKX-UHFFFAOYSA-N	246.075	-0.221	50	10	BBGE	
CC[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)O1	2298369716	CCOXAUSHGNCLIH-UTINFBMNSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCOC1	2298370224	RVQXOVYWVVEHFI-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
CC1(C)C[C@@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371229	DMMVVDDEKHSFTR-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
C#CCCOC(=O)Nc1cccc(B(O)O)n1	2300782694	WZVHRGWJUHDCKW-UHFFFAOYSA-N	234.020	-0.667	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(CCCCC(=O)NN)C2	2301492405	OPXLSVMHTOTHJB-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
CC(C)=C(CN(C)CCn1cncn1)B(O)O	2301958393	KIIMHALBVKTRHU-UHFFFAOYSA-N	238.100	-0.442	50	10	BBGE	
C[C@H]1CC2CC(C(=O)NCC#CB(O)O)(C2)O1	2303048967	JKLVSSBSOBHIHA-SILCLGDVSA-N	237.064	-0.924	50	10	BBGE	
CCn1ncnc1CN1CC[C@@](C)(B(O)O)C1	2303099516	OSNUGDRDNOOESR-SNVBAGLBSA-N	238.100	-0.263	50	10	BBGE	
CN1CC[C@H](C(=O)N2CC[C@](C)(B(O)O)C2)C1	2303106310	TVYLNYNWHDIHOG-ONGXEEELSA-N	240.112	-0.597	50	10	BBGE	
CC[C@](C)(CN(C)[C@H](C)C(=O)NC)C(=O)NN	2303427368	XRLPYFFXDJFBLF-LDYMZIIASA-N	244.339	-0.541	50	10	BBGE	
OB(O)c1cc(N[C@H]2COC[C@@H]2F)ncc1F	2303835260	UAASTTBTBIVUDT-YUMQZZPRSA-N	244.006	-0.951	50	10	BBGE	
C[C@H](NC(=O)N(CCCl)N=O)C(N)=O	6020037	UKTDZTRUMWTDID-BYPYZUCNSA-N	222.632	-0.208	50	10	BBGE	
O=P(O)(O)C[C@H](O)CBr	34410680	HBYWJXUMHIZINW-GSVOUGTGSA-N	218.971	-0.080	50	10	BBGE	
NNC(=O)C(=O)N1CCc2ccccc21	36948234	FHEPBPNSFPLEDF-UHFFFAOYSA-N	205.217	-0.434	50	10	BBGE	
CC(C)CNC(=O)CCCC(=O)NN	58839326	WFEHMVFMMOTJES-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](CO)C1	82465834	ZLHZXTHFCXSZQP-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccncc1	82467936	DXAUWBRGXINBLQ-MRVPVSSYSA-N	208.265	-0.108	50	10	BBGE	
COCCCN(C)[C@@H](C)CC(=O)NN	82469237	RZQLTKBLVASCIJ-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
NC(=O)CCN1CC[C@@H](Br)C1=O	82606977	XUYSQKSSXNJNPU-RXMQYKEDSA-N	235.081	-0.142	50	10	BBGE	
Cc1ncsc1C(=O)NNC(N)=S	83590765	GLKHBSOLFHONIX-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@H](C)Cl	85088990	HEUSMKKBDLKFRC-NTSWFWBYSA-N	232.667	-0.123	50	10	BBGE	
NNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1	88023267	YOFDQSMQMXEUBM-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
CC[C@H](CSC)N(C)C(=O)C(=O)NN	160144563	RJDYJESQEISMFZ-ZCFIWIBFSA-N	219.310	-0.424	50	10	BBGE	
NNC(=O)CCCn1cc(Cl)cnc1=O	168221037	ADRPXHOEVFCCPO-UHFFFAOYSA-N	230.655	-0.333	50	10	BBGE	
CC1(c2cc(F)ccc2B(O)O)OCCO1	197104377	PJUNHPRARDBFLR-UHFFFAOYSA-N	226.012	-0.275	50	10	BBGE	
CN1CCN(Cc2ccc(B(O)O)s2)CC1	222273503	NRFHMUMKBIAJJJ-UHFFFAOYSA-N	240.137	-0.825	50	10	BBGE	
COC[C@H](CCl)NCCS(C)(=O)=O	228864263	DKUYXHWVIJMHMD-ZETCQYMHSA-N	229.729	-0.126	50	10	BBGE	
COC(OC)c1cc(B(O)O)ccc1O	238353649	ZHBOIMJPSYVZLG-UHFFFAOYSA-N	212.010	-0.637	50	10	BBGE	
OB(O)c1ccnc(Cl)c1C1OCCO1	238629979	ABFMCIJUERQIJO-UHFFFAOYSA-N	229.428	-0.540	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](CCO)C1	300228983	KGEPAOMEIVLHHU-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
COC[C@@H](SCC(=O)NC1CC1)C(=O)NN	300803882	FXXSHCNJZTWYLC-SSDOTTSWSA-N	247.320	-0.997	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C)c1nc(=O)[nH][nH]1	306977315	ASOQEVDGRJARRR-IUYQGCFVSA-N	218.644	-0.098	50	10	BBGE	
O=C(O)[C@@]1(O)C=C(Cl)[C@@H](O)[C@H]1Cl	307103089	CZIFEXXXNORKKJ-ZMIZWQJLSA-N	213.016	-0.093	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@@H]3C2)c(F)c1	307592773	FXNZPAODIPUPBN-NXEZZACHSA-N	235.067	-0.043	50	10	BBGE	
Nc1ccc(B(O)O)c(F)c1OC(F)(F)F	321510114	GULUAFXSHUHMCF-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COCCOCc1nc(C(=O)NN)cs1	328379483	GTUCUOXUXDPMSI-UHFFFAOYSA-N	231.277	-0.090	50	10	BBGE	
CCC[C@H](NC(C)C)C(=O)NNC(=O)CO	381382381	LQJMDGGYRQLIQA-QMMMGPOBSA-N	231.296	-0.707	50	10	BBGE	
CNCCSC[C@H]1CC[C@H](C(=O)NN)O1	382646418	KYOKPWUJYPBXDZ-HTQZYQBOSA-N	233.337	-0.524	50	10	BBGE	
CC(=O)c1cnn(CCCC(=O)NN)c1	389360781	DJFCDJJUTIEZLR-UHFFFAOYSA-N	210.237	-0.144	50	10	BBGE	
Cc1c(CCC(=O)O)cccc1B(O)O	396059474	GHTRIMIUIYJSJA-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
Nc1cc(B(O)O)cc2sc(C(=O)O)cc12	396250717	XKZDMKMQPUHAOO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@H]1C[C@@H](N(C)Cc2ccccc2B(O)O)CO1	401466264	MAWFPUUEXQILKA-CMPLNLGQSA-N	249.119	-0.024	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@@H](C)C(=O)NN)C1	401696984	KMCXRKQTSQSJAB-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
CO[C@@]1(CO)CCN([C@@H](C(=O)NN)C(C)C)C1	402612377	PVDKHBPVOSSGPO-KOLCDFICSA-N	245.323	-0.916	50	10	BBGE	
CC[S@@](=O)Nc1ccc(F)cc1B(O)O	404959171	ZHPUDEABHLYXDE-OAHLLOKOSA-N	231.057	-0.399	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cn(C)nn1	690439972	OITXQJCFCAHXTP-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
N#CC1(O)CCN(c2cncc(NN)n2)CC1	692151093	GQNARUMILUTWGY-UHFFFAOYSA-N	234.263	-0.383	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CC1CN(C)C1	692719119	KMIOHYJPMAMZMC-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CNC[C@@H]2C3)CC1	693293606	PKBNJTAVCHWOCP-JOYOIKCWSA-N	235.287	-0.527	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(COC2)C1	697133460	ODDROJWWTGEJNJ-YUMQZZPRSA-N	213.281	-0.667	50	10	BBGE	
Cc1ccc(B(O)O)c(OCCN(C)C)c1	699672837	VVQARJZFVLXGDQ-UHFFFAOYSA-N	223.081	-0.385	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(N2CCC2)CC1	700430845	QJXRZBZRMMZAIB-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](N2CCC2)C1	702302663	TXEPFERPDFKDAG-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](O)[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703452893	VSXIWNNLFKWJNB-XAMCCFCMSA-N	213.233	-0.328	50	10	BBGE	
OB(O)c1cnn(CCOCC(F)(F)F)c1	703634427	MKUDOUWVBLSTLB-UHFFFAOYSA-N	237.974	-0.858	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccsn1	705468703	VZSMARYLJPSSLO-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
N#CC1(O)CCN(C(=O)N[C@@H]2CCOC2)CC1	709385630	MULYUFSSOCSYLS-SECBINFHSA-N	239.275	-0.165	50	10	BBGE	
NNC(=O)CCN1CCS[C@H](CCO)C1	720087701	JRQLTVHWKUNTRT-MRVPVSSYSA-N	233.337	-0.834	50	10	BBGE	
Cc1nccc(C=NNC(=O)CN(C)C)n1	814833006	UIDIBPLCQSAMII-UHFFFAOYSA-N	221.264	-0.203	50	10	BBGE	
CC(C)[C@H](O)CC(=O)NN(C)C[C@H](C)O	821217661	NXOWHEBUTNGEBE-DTWKUNHWSA-N	218.297	-0.263	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)[C@H]2CC2(F)F)nn1	855193509	XLOGJCXVWPMFRL-SCSAIBSYSA-N	245.189	-0.769	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)C2(F)CC2)n[nH]1	869017926	VCYHESFHHPVWDF-UHFFFAOYSA-N	240.238	-0.090	50	10	BBGE	
Cn1nc2ccccc2c1C(=O)NCB(O)O	888081057	HDFATYCGRJQHPB-UHFFFAOYSA-N	233.036	-0.685	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@@H](O)C1	1253551062	QTEMFUILGUHJKH-OLQVQODUSA-N	213.686	-0.332	50	10	BBGE	
Cc1cncn1CC(=O)NNc1nc[nH]n1	1330247455	XZTPQLPJHGQVTE-UHFFFAOYSA-N	221.224	-0.547	50	10	BBGE	
CN(C)C(=O)NNC(=O)Cn1ccnc1	1343688985	LDCLAOGEMRPNDT-UHFFFAOYSA-N	211.225	-0.815	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@@]1(C#N)CCCOC1	1348524403	MHRDHRJKQFMPIG-SNVBAGLBSA-N	240.263	-0.391	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)CC1CC1	1468447471	UCCHECFHIBYTDK-MRVPVSSYSA-N	224.260	-0.028	50	10	BBGE	
O=C(NNc1nc[nH]n1)C1(n2cccn2)CC1	1472574138	LYIKBAHHGYPVCC-UHFFFAOYSA-N	233.235	-0.366	50	10	BBGE	
O=C(NCc1cc[nH]n1)c1ccc(B(O)O)cc1	1540828095	JNWFYHHWFXPIJY-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
OB(O)c1cnc([C@H]2CCCOC2)nc1	1613881936	MDYJPHQVIZCPLQ-ZETCQYMHSA-N	208.026	-0.950	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1S(=O)(=O)CCCl	1880920853	OHEFEUQAUIUSRY-RITPCOANSA-N	213.686	-0.380	50	10	BBGE	
OC[C@@H]1CN(C[C@@H](O)CCl)C[C@H]1F	1881831768	CPKRFTXOEDSTCH-BIIVOSGPSA-N	211.664	-0.152	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)C1COC1	1884434339	OCHCFELMBSSFSV-LURJTMIESA-N	221.640	-0.471	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](F)[C@@H](CO)C1	1884618187	HENDVILVRJOAOM-RNFRBKRXSA-N	245.703	-0.183	50	10	BBGE	
C[C@H]1[C@@H](O)CN1[C@H](C)CCC(=O)NN	1885870997	CEGZHQCEZOMEEW-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](NC(N)=O)c1cscc1B(O)O	1886862835	QMBNIVDZAISATR-SCSAIBSYSA-N	214.055	-0.843	50	10	BBGE	
C[C@H](C#CC(=O)NN)NC(=O)OC(C)(C)C	1889816707	NEMUBELJCJKUME-SSDOTTSWSA-N	227.264	-0.107	50	10	BBGE	
NCCNCCS(=O)(=O)C[C@H]1C[C@@H]1Cl	1893100223	UDMRSVNLWSWHPN-SFYZADRCSA-N	240.756	-0.423	50	10	BBGE	
NC1CC(O)(CNC(=O)[C@H]2C[C@@H]2Cl)C1	1893446713	QDBBLIBWIONIIL-BASCLOEGSA-N	218.684	-0.418	50	10	BBGE	
O=C(O)C[C@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1893454366	WIEACHMBIILKGV-JKUQZMGJSA-N	221.640	-0.435	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2[C@@H](C)C(=O)NN	1894047033	BJKHWRGJMJPIJT-JQCXWYLXSA-N	213.281	-0.526	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCOC[C@H]1CO	1897219301	IVMWQEPEIZPGPH-SFYZADRCSA-N	247.678	-0.178	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	1902155849	PTMBJBSEVKCILT-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
OB(O)c1csc(CN2CC3(CC3)CO2)n1	1902638960	JLOIXDUMEPNDBR-UHFFFAOYSA-N	240.093	-0.650	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC[C@@H](O)C1	1902652541	XCTGNGFKXLBRKI-FNCVBFRFSA-N	225.244	-0.184	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC(C2CC2)C1	1910325532	MICHBVBUXSKSSF-UHFFFAOYSA-N	211.265	-0.377	50	10	BBGE	
CO[C@H]1CN(C[C@H](C)C(=O)NN)CC[C@H]1OC	1910473679	QLVQANGZGZCBDH-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
CCC1(C(=O)Nc2ncccc2B(O)O)CC1	1913596819	XOWNXQIMWLTTTF-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1ncccc1B(O)O	1913676362	JQMSERIIMSPNQV-QMMMGPOBSA-N	236.080	-0.008	50	10	BBGE	
CCCN(CCO)C[C@H]1C[C@H]1C(=O)NN	1927914636	WMVFDDOJXVOAAB-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
CNC(=O)CCSC[C@H]1C[C@H]1C(=O)NN	1927917076	INPBVTOCTBXONV-RNFRBKRXSA-N	231.321	-0.518	50	10	BBGE	
CCCN(OC)[C@H](COC)C(=O)NN	1928675677	TUPSDADOVQNOPO-SSDOTTSWSA-N	205.258	-0.735	50	10	BBGE	
O=C(NNCCO)[C@H]1CC[C@H]2C[C@H]1CO2	1929838359	MJDPQYUJRHMUOB-CIUDSAMLSA-N	214.265	-0.585	50	10	BBGE	
C[C@@]1(O)CON(C[C@H](O)CBr)C1	1930277477	OKEDADCOKXRGDC-RQJHMYQMSA-N	240.097	-0.260	50	10	BBGE	
CCCSC1CN(C(=O)C(=O)NN)C1	1933225110	BTYMEEBCODJZKH-UHFFFAOYSA-N	217.294	-0.670	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)CC1(C)C	1934004195	LRAAXTITPVDANA-RNFRBKRXSA-N	201.270	-0.790	50	10	BBGE	
CC[C@@](C)(COCCOCC(=O)NN)OC	1936533005	JYCPINQENDEQNM-JTQLQIEISA-N	234.296	-0.175	50	10	BBGE	
CN1C[C@H](Cl)[C@H](N=c2[nH]ccn(C)c2=O)C1	1937190650	PHEOCSJPRQVVCG-JGVFFNPUSA-N	242.710	-0.465	50	10	BBGE	
Cc1ccn(CC2(C(=O)NN)CC2)c(=O)n1	1938258733	JHSXGBNEFAORAF-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)C1(C)C)C(=O)NN	1938475806	WWVJTZUHEJZYNE-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
COC[C@]1(C)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941090451	ZVIRBQMFHZRCCG-JFGNBEQYSA-N	241.335	-0.029	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccccn1	1941783245	DGHVQTGXNJRXAO-UHFFFAOYSA-N	238.291	-0.480	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(O)CCCNC2)CC1	1942973703	HSNSGQNPDPMMGL-GFCCVEGCSA-N	239.319	-0.549	50	10	BBGE	
Cc1ncc(OCCCN(C)C)cc1B(O)O	1944010425	CQDKEFGOEWFKJJ-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
NNC(=O)C1(CN2CC(N3CCCC3)C2)CC1	1945891535	HAHKPGOAUDDPRZ-UHFFFAOYSA-N	238.335	-0.464	50	10	BBGE	
N#C[C@H](O)Cc1ccc(S(N)(=O)=O)cc1	1951426323	XKMXGDNJWGXONP-MRVPVSSYSA-N	226.257	-0.239	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955550521	XCWDVOHOUIVHMQ-BZCSJUTBSA-N	219.668	-0.434	50	10	BBGE	
COC(=O)[C@H](C)S(=O)(=O)N1CC(Cl)C1	1956896057	IQETVOUOELLPCQ-YFKPBYRVSA-N	241.696	-0.199	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(CO)(CO)C1	1957319774	YFOKNBQFCREXIS-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
O=C1CN([C@@H]2CN3CC[C@H]2C3)CC(=O)O1	1958219460	WPKWGWZYXKCSMZ-JGVFFNPUSA-N	210.233	-0.924	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CC=CCCl)C[C@H]12	1960156494	UDLFRBNZQAWPMO-YUMQZZPRSA-N	228.679	-0.014	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@](=O)C[C@@H]1C	1961553938	QWDPERMNIGTFGX-FWZFKDBCSA-N	233.337	-0.792	50	10	BBGE	
NNC(=O)N1CCC2(CC1)C[C@H](O)CO2	1961856897	PXPVCFPWTQMKIR-ZETCQYMHSA-N	215.253	-0.815	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC[C@](O)(C(N)=O)C1	1962377743	RHCPTQPHMNRCHP-HZGVNTEJSA-N	234.683	-0.548	50	10	BBGE	
NNC(=O)C(=O)N1CCC(CCCF)CC1	1976901158	ACUCLAYHDAAKOL-UHFFFAOYSA-N	231.271	-0.035	50	10	BBGE	
CCC(C)(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976979635	NPYYENHDWQWTIW-LURJTMIESA-N	231.057	-0.535	50	10	BBGE	
NNC(=O)CN1CCC[C@]2(CO)CCC[C@H]12	1978919969	OYSZUYLXRHUILF-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
CCOCCOc1ncc(B(O)O)cc1C	1981422411	OFRQQGWTRWKERI-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC1(F)F	1984102334	SHRAZQQFKPTMJY-LURJTMIESA-N	228.991	-0.817	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](C2(O)CC2)C1	1987340573	LAGAWWABNFJOPF-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(N2CCSCC2)C1	1989132282	OUCVALQJKXISFW-MRVPVSSYSA-N	244.364	-0.902	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C)[C@@](C)(O)C1	1989512170	PEPXZUSXQOBEQB-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(=O)NCC12CCC(CC1)OC2	1989783622	REBKOLOGOORYBR-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
COCC1(CN(C)C[C@H](C)C(=O)NN)CC1	1990605278	NYGUHYHQZPBVTE-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
O=C(Cc1ccccc1)NCC=CB(O)O	1991330568	YDJGFVNTTOBJQK-UHFFFAOYSA-N	219.049	-0.087	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H](CO)C[C@@H]1CO	1991651087	RDWRLUCPCHYHRK-JGVFFNPUSA-N	247.678	-0.490	50	10	BBGE	
COC[C@@H](O[C@@H]1CCCN(C)C1)C(=O)NN	1992113305	IZUSSSGOMWHQMC-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COC1CC(CO)(NC(=O)/C=C/C(=O)Cl)C1	1992274824	RJLGHZGZMUPHPB-NSCUHMNNSA-N	247.678	-0.036	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994020555	QTOUNKDTSLFMQZ-KATARQTJSA-N	227.308	-0.687	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cccc(C(=O)NN)n1	1996576821	QYARFLAJNQKPFE-SSDOTTSWSA-N	234.259	-0.194	50	10	BBGE	
CC(C)(C)[C@H]1OCCC[C@@H]1NC(=O)C(=O)NN	1997658883	GJMNTOAAPCEVEH-YUMQZZPRSA-N	243.307	-0.314	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC3CC(C3)C2)O1	1999982641	CRDZVXLFBLFTHH-JPPWEJMLSA-N	239.319	-0.134	50	10	BBGE	
Cc1cnc(N2CC(C3CC3)C2)c(B(O)O)c1	2005014146	HHGALJRRXREZBM-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]2C(F)F)c(F)c1	2005014756	QDGLQDCWQYIJKE-ZETCQYMHSA-N	245.997	-0.256	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](F)C[C@H](F)C2)nc1	2011406876	XYPZAQLVHPBGJH-IUCAKERBSA-N	242.034	-0.352	50	10	BBGE	
CN1CC[C@H]2[C@H]1CCCN2CCCC(=O)NN	2012128928	ZYEXAMAMIZCSCF-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC[C@@H]2O)CC1	2014134992	ZPCMJUIKKPWEDM-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCC(=O)N(C)C1	2014825518	NDUKBCOPPGCMNJ-BDAKNGLRSA-N	242.323	-0.693	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C1CCOCC1	2019210631	NUJWCYKXVRHEGN-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@]12COC[C@H]1C2	2020067971	MXTASZYBAJDSSU-ZOFUNIGCSA-N	237.064	-0.760	50	10	BBGE	
CN1CCC[C@H](CC(=O)NCC=CB(O)O)C1	2020069112	XWWDDKGNCXEENJ-SNVBAGLBSA-N	240.112	-0.597	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)O1)C1(C)COC1	2026710210	COABCCOOILIKOE-RKDXNWHRSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1nc2ccccn2c1=O	2028049234	CCRROJVCDRKSHK-SFYZADRCSA-N	247.258	-0.878	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2CCO[C@@H]2C1	2052625337	LJDXWLYINQFDIO-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
CCOc1cc(C#N)c(OC)c(B(O)O)c1	2060203014	SQZNNCXNSAUVGA-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
COc1cc(OC(F)F)cc(B(O)O)c1C=O	2060329215	PIWFDBQDJSNHSD-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
O=C(NCc1cnoc1)c1cccc(B(O)O)c1	2079011749	IRLOFYDWROKTQF-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3C[C@@H]32)c1	2212601738	SEBYAMFFKRTMEW-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
CCSCCCN=c1cc(B(O)O)cc[nH]1	2212611252	XSORECYNZXNAAG-UHFFFAOYSA-N	240.137	-0.262	50	10	BBGE	
CC[C@H](CN)Oc1nccc(B(O)O)c1F	2212613018	LHOWKHLOGWUEEK-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
CC(C)(CO)CNc1ncccc1B(O)O	2212614184	BDYYNMLBFIJLEJ-UHFFFAOYSA-N	224.069	-0.808	50	10	BBGE	
CC1(C)C[C@H](O)CN1C[C@@H]1CC[C@@H]1C(=O)NN	2215772451	OFIXRPQBUZCUET-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2215775875	JLMPFCMVPYVKGW-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CN(C)C(C)(C)COc1ncccc1B(O)O	2217171223	BWRMFDIOVGLZRU-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H](O)C1CCC1	2217171589	CMFVUJNLRFOYHD-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cnc(NCC2(C3CC3)CC2)nc1	2217172212	IFNCRFCACMCCRE-UHFFFAOYSA-N	233.080	-0.242	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1CN=c1ccc(B(O)O)c[nH]1	2217180944	MGPLSJHSAFEPCL-KOLCDFICSA-N	234.108	-0.113	50	10	BBGE	
NC1CCC(Oc2cc(B(O)O)ccn2)CC1	2217193380	MJQAYJXVFVRPTM-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
N[C@H]1C[C@@H](COc2nccc(B(O)O)c2F)C1	2217193702	WMAYWOHYYCXCDV-KNVOCYPGSA-N	240.043	-0.983	50	10	BBGE	
OB(O)c1cnc(=NCCC2=CCCC2)[nH]c1	2217198682	FBSHRKRMDICDDP-UHFFFAOYSA-N	233.080	-0.509	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Nc1ccc(B(O)O)cn1	2217198919	IBVRXNJGWBNNLB-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2CC[C@H]3O)c1	2223635565	YPHAWLSDSMYKBX-FBIMIBRVSA-N	248.091	-0.889	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1c1ncccc1B(O)O	2223638929	NTWIBQZTNZHZEQ-UWVGGRQHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCCNC1	2223673953	MNWXRONKFRUCDL-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@@H]3CCC[C@@H]32)c1	2223676304	ZLWBPSSTVNRSDB-WDEREUQCSA-N	248.091	-0.481	50	10	BBGE	
CCN[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223679330	OBZINOBHXNASGS-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
C[C@@H](CO)NS(=O)(=O)N1CC(Cl)C1	2241354470	YRECUKQZAGGWRJ-YFKPBYRVSA-N	228.701	-0.875	50	10	BBGE	
COC[C@H](ON)C(=O)N[C@H]1C[C@H](Cl)C1	2241654504	YFTVTVWMFORNLK-ACZMJKKPSA-N	222.672	-0.222	50	10	BBGE	
C[C@@H](CF)N(C)c1nc(B(O)O)cs1	2241733818	HQUNGNMORYJPGX-YFKPBYRVSA-N	218.062	-0.383	50	10	BBGE	
O=C(NCB(O)O)c1cocc1Br	2241752556	SLGKCVCVWAIOCO-UHFFFAOYSA-N	247.841	-0.216	50	10	BBGE	
O=C(Nc1nccs1)c1coc(B(O)O)c1	2243346990	GIFNKWJOCCXSBD-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1=O	2243348069	SNGISRLZXLBXHK-SSDOTTSWSA-N	225.053	-0.222	50	10	BBGE	
CCN(CCCCO)C(=O)C1(B(O)O)CC1	2243364052	QFIOBZXUNAKQTJ-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)cs1	2243377586	CDSLDMJHMOFEPL-SSDOTTSWSA-N	237.089	-0.266	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCCNCC1	2243390940	DISNLWCTXSETPU-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
O=C(Nc1ccncn1)C1CC(B(O)O)C1	2243395862	DAHGFAPVEIUEAT-UHFFFAOYSA-N	221.025	-0.332	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)sn2)C1	2243398984	WHAILFHZSGSDER-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCCOC1	2243405119	ZXCRQGISVSAPMF-NRPADANISA-N	227.069	-0.465	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1coc(B(O)O)c1	2243407938	CPXWXPUZDZPZOL-ZETCQYMHSA-N	223.037	-0.489	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)C1(B(O)O)CCC1	2243411112	OCCDQMXGTFIJFF-HTQZYQBOSA-N	227.069	-0.323	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCCC1	2243426995	OQCVKFLPXKWUCD-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)cc1C	2243685088	MVUXAPLZIWKXDR-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccncc1B(O)O	2247723314	SKEVKKOEYUAEHM-JGVFFNPUSA-N	234.064	-0.853	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)OC	2247733101	MGSZXGPVMZVPIN-SSDOTTSWSA-N	243.068	-0.549	50	10	BBGE	
C[C@@]1(CO)C=CCCN1C(=O)C1(B(O)O)CC1	2247756903	OVWQOMHAAYISJL-JTQLQIEISA-N	239.080	-0.467	50	10	BBGE	
CC1(C)CNC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247797446	JRWRFKIBMYYVEG-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
NCc1cccnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247804057	DYHRSRGSJBHTJG-YUMQZZPRSA-N	235.052	-0.658	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247805332	BIWXBXXGRMOVJK-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2c[nH]nc2C1	2247806226	DNJXFEFIIQNVNG-YUMQZZPRSA-N	235.052	-0.843	50	10	BBGE	
O=C(NCCCc1cn[nH]c1)[C@@H]1C[C@H]1B(O)O	2247810158	VGJIILZWCPYAFM-RKDXNWHRSA-N	237.068	-0.679	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)oc1C	2247867696	KXLWERQJFWLRRE-UHFFFAOYSA-N	237.064	-0.036	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCC[C@@H]21	2247870293	HQTMOZBRIBWWPI-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
C[C@]1(O)CCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247871125	WKHWSRZJHFHLLY-WPRPVWTQSA-N	241.096	-0.197	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2coc(B(O)O)c2)C1(F)F	2247871517	CKNGBKJLARPOPW-FFWSUHOLSA-N	244.990	-0.657	50	10	BBGE	
C[C@]1(CO)C=CCN1C(=O)C1(B(O)O)CCC1	2247879072	PYFSYXOAEDLGFR-SNVBAGLBSA-N	239.080	-0.467	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247891846	OUBCZINMOXGPKD-XPUUQOCRSA-N	237.068	-0.992	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247900689	YWOXCLBWZJBMSI-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCC(F)F)c1ccc(B(O)O)cc1O	2247963585	XWHRRWFESVZQHK-UHFFFAOYSA-N	244.990	-0.933	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)C[C@@H](C)O	2248438793	HOVIFQDMIOWOAY-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2248577586	KGGGAKQBQWERKN-PRJMDXOYSA-N	241.052	-0.781	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cc(B(O)O)co1	2249417241	CMXYCSPLMCNAOT-VIFPVBQESA-N	235.048	-0.509	50	10	BBGE	
C=CC1CN(C(=O)c2ccccc2B(O)O)C1	2251660383	TYMIBCQDUXPHMZ-UHFFFAOYSA-N	231.060	-0.376	50	10	BBGE	
Cc1ncc(OCC[C@H]2CCO2)cc1B(O)O	2253185342	WBRJOZCYTOEKBY-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3CCC[C@H]32)n1	2254574410	SDLICYJKMNMZPU-WCBMZHEXSA-N	248.091	-0.241	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC3(CC3)C2)n1	2254596036	RIQQEKHUDRBIBU-UHFFFAOYSA-N	248.091	-0.240	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccncc1B(O)O	2255452086	CZLJHVFIMNVGDU-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@@H]12	2255460867	ZIWWPQRPCPLIET-VGMNWLOBSA-N	249.075	-0.313	50	10	BBGE	
C#CC[C@@H]1CCN(C(=O)c2occc2B(O)O)C1	2255489919	AIQIVQZXRKQABT-SECBINFHSA-N	247.059	-0.555	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N[C@@H]2C[C@H]2C)c1	2255503676	FVBRIZIWAGILSK-RDDDGLTNSA-N	249.075	-0.487	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC[C@@H]1[C@H]2CC[C@H]21	2255504816	NBYSTHTXJMCULV-MYJAWHEDSA-N	248.091	-0.909	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccoc1B(O)O	2255717440	KHMIJJCEMXGRBF-VHSXEESVSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC[C@@H]1C1CC1	2255717850	PQMBRRJNDXHDRQ-LLVKDONJSA-N	246.075	-0.614	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NCC1CC1	2255728827	MJZJUTLQFRREAB-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
Cc1cccc(C(=O)NC[C@@H]2CCO2)c1B(O)O	2255735731	YYCDSJBIPSEWPN-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1occc1B(O)O	2255741181	KIIKASLDZLOVNB-NQMVMOMDSA-N	249.075	-0.122	50	10	BBGE	
CN(C)c1ncccc1NC(=O)[C@@H]1C[C@H]1B(O)O	2255767232	BZLXKGJQVBOMLP-HTQZYQBOSA-N	249.079	-0.051	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1CC=CCO1	2256640633	KELJDNQZNXXOBC-MRVPVSSYSA-N	248.047	-0.955	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3COC[C@H]2C3)n1	2258825924	CKKQMZWCSUYDMQ-VHSXEESVSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1	2298225628	MCBJJXSHIAFXLK-IVZWLZJFSA-N	234.064	-0.507	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C(=O)[C@H]2CCCC[C@H]21	2298368468	GNJQZCNPOKTKAK-RBXMUDONSA-N	237.064	-0.223	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2302020073	KVVSRGFXOLOHQD-UXCLJVHYSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1[C@@H](n2cc(B(O)O)cnc2=O)CC1(C)C	2302158861	KAGXNWNTOMEVDC-CBAPKCEASA-N	236.080	-0.470	50	10	BBGE	
C[C@@H]1CC2CC(CN(C)C(=O)C(=O)NN)(C2)O1	2303046985	CYFZMEPXQPKQES-OBEAGUGNSA-N	241.291	-0.608	50	10	BBGE	
O=C(c1ccncc1O)N1CC[C@H](B(O)O)C1	2303101598	LLUASKQFRXHADQ-ZETCQYMHSA-N	236.036	-0.524	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2[C@H]3COC[C@H]32)C1	2303103061	CGZCORHKTFUHMP-DKIAZLNASA-N	239.080	-0.656	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C=C[C@@H]2C3)ncc1F	2303834239	CCDSWNZUOJFWBH-JGVFFNPUSA-N	234.039	-0.335	50	10	BBGE	
CC(C)OCCN=c1cc(B(O)O)c(F)c[nH]1	2303834902	NMIRAPURYGRUTB-UHFFFAOYSA-N	242.059	-0.841	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H](CO)C1	2317165669	NEDXIEJDZPVVGQ-VIFPVBQESA-N	246.075	-0.943	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308211	IHVHFELBIHDJQN-NWDGAFQWSA-N	249.075	-0.232	50	10	BBGE	
C[C@H](NC(=O)C(C#N)=CNC1CC1)C(=O)O	2324979438	QCBFQPHFULAOEO-LURJTMIESA-N	223.232	-0.265	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	82468601	RQVKKOWCYIACIL-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](CCC(=O)NN)Sc1n[nH]c(=O)n1C	82472658	FZRLMOWPTORDKO-YFKPBYRVSA-N	245.308	-0.641	50	10	BBGE	
NNC(=O)CCCCn1cnccc1=O	82599462	CQWAAYXRDPPZCA-UHFFFAOYSA-N	210.237	-0.597	50	10	BBGE	
CN(CCCCC(=O)NN)CC1CC(O)C1	84453507	HUSMCVBCIFKGBY-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CC(C)(C)O	86275197	VOBAXZIYJIKDQO-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)CCN1CC[C@H](N2CCCCC2)C1	110583841	NSEJEHCLWYRBQG-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
COCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)Cl	161794684	YVBSYIYCXMMZFB-RNFRBKRXSA-N	236.699	-0.119	50	10	BBGE	
NNC(=O)c1occc1COC1COC1	165770100	NLLJLEQLOLMLNO-UHFFFAOYSA-N	212.205	-0.202	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(O)CCCC1	167222123	DGWIUCMGKXEZRB-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](O)COC(=O)NNC(=O)OC[C@@H](C)O	168583635	MSGFTHUDDIBEMG-PHDIDXHHSA-N	236.224	-0.885	50	10	BBGE	
CS(=O)(=O)N1CCCC[C@H](C(=O)NN)C1	216920567	PFFVZYKJEFIQQP-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)c1ccn[nH]1	223287445	BTKUOAVTENHGLA-ZETCQYMHSA-N	242.260	-0.144	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](N(C)C)[C@H](C)C1	227251601	QUUJRYIKEALMPD-VPOLOUISSA-N	242.367	-0.117	50	10	BBGE	
CCCOC[C@@H](O)/C(C)=N/NC(N)=O	238241982	WIQGSJGWLGPTEN-VSUWBIFXSA-N	203.242	-0.182	50	10	BBGE	
O=Cc1cc(C(F)(F)F)ncc1B(O)O	238632558	SSZFMSFAYQONON-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
N#CC1=CN=C(CN2CCNCC2)S1(=O)=O	259919511	CFYVOROROMJPIG-UHFFFAOYSA-N	240.288	-0.917	50	10	BBGE	
N#CC1=CS(=O)(=O)C(CN2CCNCC2)=N1	260048759	MFILUSOFBDIQPU-UHFFFAOYSA-N	240.288	-0.917	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(O)C1	300027963	DRDRRZPXVOPHCL-CBAPKCEASA-N	201.270	-0.788	50	10	BBGE	
CC1(C)O[C@@H]2C(=O)O[C@H]([C@@H](O)Cl)[C@H]2O1	306265934	BMFFBRCBPHEFNE-DPYQTVNSSA-N	222.624	-0.011	50	10	BBGE	
C[C@H]1[C@]2(CCS1(=O)=O)CC(=O)OC2=O	306834005	QMGSQQDXMDDHGL-XNCJUZBTSA-N	218.230	-0.347	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](CO)C1	306873677	YCGPSXFTKLQSRH-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
CC(=NNC(N)=O)C(C)=NNC(N)=O	308335130	NBHBGHGRRAYZOQ-UHFFFAOYSA-N	200.202	-0.925	50	10	BBGE	
CN(C)CC(=O)NNC(=O)CNC(C)(C)C	309970916	PMOBVLHNBUYSEU-UHFFFAOYSA-N	230.312	-0.917	50	10	BBGE	
COC(=O)C[C@@H](N)c1ccc(B(O)O)cc1F	394912000	GQTLDTCNEWTMPI-SECBINFHSA-N	241.027	-0.932	50	10	BBGE	
CO[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@H]1O	395939481	RYCHOOMRLACHAG-HLTSFMKQSA-N	245.323	-0.918	50	10	BBGE	
NNc1cccc(OC(F)(F)F)c1B(O)O	396052491	NKRHKJNJLVXSCD-UHFFFAOYSA-N	235.958	-0.449	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)CCC(=O)NN	399993453	VLJWUKHYQLUWRS-WJWGPLDTSA-N	221.326	-0.935	50	10	BBGE	
C=CCNC(=O)Nc1ccc(C)cc1B(O)O	405171488	VJFLCWSVDIOVMT-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
C[C@H](CO)CN(C)Cc1ccc(C(=O)NN)o1	688396325	XCIOORWZAJANKF-QMMMGPOBSA-N	241.291	-0.057	50	10	BBGE	
CC[C@@H](C)OCn1nc(C)c(B(O)O)c1C	694274801	DLOVKBZWYDMOLN-SSDOTTSWSA-N	226.085	-0.048	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1CO	698213787	LGPPKANRAXTVGM-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](F)C1	701712477	KAXKZOBHSQATIN-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
C[C@H]1CCC[C@H](S(=O)(=O)NCB(O)O)C1	701949855	JXYFLXDQXBPEGK-YUMQZZPRSA-N	235.114	-0.504	50	10	BBGE	
CC[C@@H](C(=O)NN)n1ccnc1[N+](=O)[O-]	702729039	JKTWJYTYOBQRAK-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](C(F)F)C1	706418148	QYUBETQHFREICK-BYPYZUCNSA-N	207.180	-0.910	50	10	BBGE	
CC[C@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	709378454	RQDNAXPIDARKBS-VXNVDRBHSA-N	215.297	-0.400	50	10	BBGE	
CC[C@@]1(O)CCCN(CCCC(=O)NN)C1	710211846	ZGXRXLWJGSKPEX-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
Cn1cnc(C(=O)NNC(=O)c2ccoc2)n1	810268766	YGDPSSIXEJTGNB-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
COC1(C(=O)NNC(=O)Cc2ccncc2)CC1	843560363	CHLBOQLBRSIAHH-UHFFFAOYSA-N	249.270	-0.050	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1	862469691	AKYMFBNMAIYHSZ-SSDOTTSWSA-N	237.263	-0.878	50	10	BBGE	
CN(CCCl)S(=O)(=O)c1cn(C)nn1	888082160	FJWYIHJLLZYLDQ-UHFFFAOYSA-N	238.700	-0.326	50	10	BBGE	
COCCN(C)NC(=O)[C@@]1(C)C[C@H](O)CN1C	908115167	NKOGXDNDQKWYPE-GXSJLCMTSA-N	245.323	-0.949	50	10	BBGE	
CCOC(=O)[CH-]C(=O)NNC(=O)OCC	1088676884	KFPDFLVUYRAPML-UHFFFAOYSA-N	217.201	-0.469	50	10	BBGE	
CNC(=O)NNC(=O)C1=C[S@](=O)CCC1	1142141937	GYFNVCGEEYATEI-OAHLLOKOSA-N	231.277	-0.627	50	10	BBGE	
COCc1cncc(C(=O)NN(C)C(N)=O)c1	1328620843	JJMYVWRTAFLRRC-UHFFFAOYSA-N	238.247	-0.117	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)Cc1cc[nH]n1	1543223510	QEKGOQZNQROXIP-YAJNLLPGSA-N	238.247	-0.963	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1C#N	1556921487	JDNHWEBRTIIJKG-PHDIDXHHSA-N	212.278	-0.387	50	10	BBGE	
Cc1nccn1CC(=O)NNC(=O)C(C)C	1628604042	WJVYBJDAKPMZJV-UHFFFAOYSA-N	224.264	-0.005	50	10	BBGE	
CCN(CCO)NC(=O)c1c[nH]nc1[N+](=O)[O-]	1640008631	XEJVXOPQBRMVJW-UHFFFAOYSA-N	243.223	-0.723	50	10	BBGE	
C=CC1(O)CN(S(=O)(=O)CCCl)C1	1883355990	ZRQYDFIAHZDFBM-UHFFFAOYSA-N	225.697	-0.212	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)NC1=O	1884196169	RIGUQQQWNJXCTN-QWWZWVQMSA-N	204.613	-0.855	50	10	BBGE	
CNNC(=O)[C@@H](C1CC1)S(C)(=O)=O	1886834044	FLSAQEHDSBOBJF-ZCFIWIBFSA-N	206.267	-0.940	50	10	BBGE	
CNc1cc(B(O)O)cc(C(=O)OC)c1	1887512760	DIBLVXGLUZTKAM-UHFFFAOYSA-N	209.010	-0.805	50	10	BBGE	
CC(C)(O)CCN1CC[C@@H](B(O)O)C1	1891493443	VMFSUZCLRVHDSX-MRVPVSSYSA-N	201.075	-0.304	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCl)C[C@@]1(C)O	1891722475	WIQYQRWYSQIGJL-DTWKUNHWSA-N	221.684	-0.041	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1895207635	IXCHJGVQFATPDR-SYHAXYEDSA-N	223.276	-0.378	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@@H]2COC[C@@H]21	1897227874	YGUXPDQVLPWJHV-FLPBZWPXSA-N	244.678	-0.493	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2cc(F)cn2)O1	1897274899	LRDSYLDEOLTRJQ-SFYZADRCSA-N	228.227	-0.440	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1(C)CNC1	1901377039	JFYLLUQHGSXAEW-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCC[C@@H]1CO	1901757875	WTGLTBQUVIXNNN-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C1(C)C)C(=O)NN	1902705375	DDBXNCMFNCGNQP-LDYMZIIASA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@H](O)[C@H]1CF	1905009439	NFZWJGKEVUJNCM-MVIOUDGNSA-N	225.647	-0.484	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@@H]2CC[C@@H]21	1906867043	NQDKYLGQXKHMGT-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3COC[C@@H]32)C1	1908820925	SABKJYYVVCBKRZ-VLEAKVRGSA-N	239.319	-0.277	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	1910314000	YLXBCMMKORFOEM-RNJXMRFFSA-N	243.018	-0.591	50	10	BBGE	
COCC1CN(Cc2ccc(C)c(B(O)O)c2)C1	1916275448	BXFNYFPUAFFBKP-UHFFFAOYSA-N	249.119	-0.247	50	10	BBGE	
CC1(C)C[C@@H](O)CN(CCOCC(=O)NN)C1	1923163725	LDJJDFBKBKJAOY-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
O=C(CC1OCCO1)NNC(=O)C(F)(F)F	1923406418	GLYPQXFCXOJZCN-UHFFFAOYSA-N	242.153	-0.541	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@]2(CO)C[C@]2(CO)C1	1928557760	YIUDQLAPAJGWSX-QNSHHTMESA-N	233.695	-0.183	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1[C@@H]2CCOC[C@@H]21	1930484198	LUXPTXIGRGJJOL-YIZRAAEISA-N	213.281	-0.809	50	10	BBGE	
CN1CCC[C@@H](CC(=O)NNCCO)C1	1931372780	QCIHVWZZHHGWPX-VIFPVBQESA-N	215.297	-0.669	50	10	BBGE	
CN(CCN)CC(=O)NCC(Cl)Cl	1932529250	AFQZEHJVQHBGOZ-UHFFFAOYSA-N	228.123	-0.203	50	10	BBGE	
C[C@@H]1OCCO[C@H]1CN(C)[C@@H](C)C(=O)NN	1935545990	HJYIFNRWYQOPOO-CIUDSAMLSA-N	231.296	-0.900	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CNCCO2)CC1	1937400568	ZYVVXRIVARYDMS-SNVBAGLBSA-N	225.292	-0.675	50	10	BBGE	
CN(C)[C@@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941085934	GHZPFQJRWCDDPP-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1CCOCC(=O)NN	1941784324	NLDHSGAKLTZYGF-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2COCC[C@@H]21	1945074821	MXBLBKYVOMHTOW-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](C3CC3)[C@@H](O)C2)CC1	1945883235	WEYIJVGCKKCPEB-ZJUUUORDSA-N	239.319	-0.541	50	10	BBGE	
COCCN(CCOC)CC1(C(=O)NN)CC1	1945884577	SVUZKQVWEJXCAO-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
C[C@@H](CN1[C@H]2CCC[C@@H](O)[C@H]1CC2)C(=O)NN	1948487467	WJWLLXRNLGUMCV-UKKRHICBSA-N	241.335	-0.010	50	10	BBGE	
O=C(NCC(F)(F)F)N1CC[C@@H](B(O)O)C1	1951320171	FJGOFEPLVSXWMG-RXMQYKEDSA-N	239.990	-0.193	50	10	BBGE	
NNC(=O)N1CCC[C@]12CC[S@](=O)C2	1955271992	XFSHCMXELJUAIG-CLAHSXSESA-N	217.294	-0.443	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1955549873	SQPRQEMKIGCUIE-HSLWUYEYSA-N	219.668	-0.432	50	10	BBGE	
C[C@H]1CO[C@@H](CN(C)CCC(=O)NN)C1	1957583899	LVRGBALCEHLKAN-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]1CN(C)C	1958805288	QUZJZKSOSFVZAH-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
CON([C@@H](C)CC(=O)NN)[C@H]1CCOC1	1960123225	BBMSYOYBTHPABG-YUMQZZPRSA-N	217.269	-0.593	50	10	BBGE	
C[C@H](CN1C[C@H]2OCC[C@@H]2C1)C(=O)NN	1961582470	GQMFZLGKQAWECR-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2[C@@H](O)C[C@H]21	1975086632	GKLDUTQLLYBNGH-YIZRAAEISA-N	213.281	-0.788	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1[C@@H]2CC[C@@H]12	1976612753	OGJHSDOFYGHPIS-RFZPGFLSSA-N	238.077	-0.583	50	10	BBGE	
C[C@@]12CN(CCCC(=O)NN)C[C@@]1(CO)C2	1978981375	XHZKAJMVKHVBAP-GHMZBOCLSA-N	227.308	-0.539	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2C[C@@]2(O)C1	1980980607	HUGFCAAXCYWTNA-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)c1ccc(CSCC(N)=O)cn1	1983342932	YYYXCSBTMURBHK-UHFFFAOYSA-N	240.288	-0.596	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1(O)CCOCC1	1991652012	LRTLUACMMUQEBC-UHFFFAOYSA-N	247.678	-0.034	50	10	BBGE	
O=C(N[C@]1(C(=O)O)CCCNC1)[C@H]1C[C@H]1Cl	1991679087	IYQFIYLXGKIVKC-NYNCVSEMSA-N	246.694	-0.063	50	10	BBGE	
COC[C@H](O[C@H]1CCCN(C)C1)C(=O)NN	1992113304	IZUSSSGOMWHQMC-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1996067542	NIOGCIRVARFVIT-KATARQTJSA-N	238.287	-0.005	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](OCCOC)C1	1996764708	KLSFKMPVYIJUOS-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC1(C)C[C@@]1(N)C(=O)N1CCC(O)(C#N)CC1	2001394131	LCJUIKAGMMQTKV-GFCCVEGCSA-N	237.303	-0.009	50	10	BBGE	
COC1C(C)(C)C(NC(=O)C(=O)NN)C1(C)C	2003453258	FFFOXTRKARFECP-UHFFFAOYSA-N	243.307	-0.458	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(c1ccc(B(O)O)cn1)C2	2004916827	QKGMJFCFFBVIHN-ONGXEEELSA-N	234.064	-0.871	50	10	BBGE	
CC[C@@H]1CC[C@@H](C)N1c1ncncc1B(O)O	2004919599	AZUNSUFVSBLDMM-RKDXNWHRSA-N	235.096	-0.076	50	10	BBGE	
CCOCCCOc1ncnc(C)c1B(O)O	2004926033	YZVCFEXRHIVQBL-UHFFFAOYSA-N	240.068	-0.730	50	10	BBGE	
OB(O)c1cnccc1N1CCC(CF)CC1	2004928359	DCIQLIPBKTWLDP-UHFFFAOYSA-N	238.071	-0.053	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2[C@H](C1)C2(F)F	2004930174	RTZNQCPBBJNDKQ-BQBZGAKWSA-N	240.018	-0.537	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)c1ncccc1B(O)O	2004935818	QKYDWKIKEQQCNV-MYJAWHEDSA-N	232.092	-0.146	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]3C[C@H]3C2)n1	2004973328	SPZBJSYTXDQIDG-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H](F)C2)n1	2005014763	QDYCFRURIULTGL-QMMMGPOBSA-N	239.059	-0.679	50	10	BBGE	
O=C(CC1COC1)Nc1cccc(B(O)O)c1	2007652995	KEWJKSMDZLKNBZ-UHFFFAOYSA-N	235.048	-0.659	50	10	BBGE	
CN(C)CCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2007721937	RKHMSXQZRZOIFA-MNOVXSKESA-N	240.351	-0.504	50	10	BBGE	
O=c1c(B(O)O)cccn1CCCC(F)(F)F	2008841397	ZYRGHDSWGSGCOZ-UHFFFAOYSA-N	248.997	-0.129	50	10	BBGE	
CN(C)NC(=O)NCc1nn(C)cc1C(=O)O	2009695931	QFFSFTDRLNYCEX-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H]2[C@@H](C)[C@H]2C)n1	2011597849	DWLPSZIRVJCXBT-QMSLJYSESA-N	236.080	-0.254	50	10	BBGE	
CN(CCC(=O)N(C)C)CC1(C(=O)NN)CC1	2014822445	AIJJUVZSZGCQII-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H](OC)C(C)C	2014868589	XZYQAXLNGAAWTK-ZJUUUORDSA-N	247.339	-0.406	50	10	BBGE	
COC[C@H]1C[C@H]1COc1cncc(B(O)O)c1	2015867873	BUGVKFMPUXFLIV-BDAKNGLRSA-N	237.064	-0.577	50	10	BBGE	
NNC(=O)COCCOC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016495671	AQKJUKDXYQOZBE-LIJGXYGRSA-N	240.303	-0.089	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccccc2B(O)O)[C@@H]1C	2022196083	GLMCIMWTJVQAFB-AKZRSSKFSA-N	233.076	-0.249	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1cccc(B(O)O)c1	2022196544	NZAQEVUWOKQJJO-PSASIEDQSA-N	237.039	-0.546	50	10	BBGE	
CC1(COCc2ccc(B(O)O)cc2)COC1	2022711233	DQMGIJRILACFJL-UHFFFAOYSA-N	236.076	-0.081	50	10	BBGE	
CC[C@@]12CC[C@@](CNC(=O)C(=O)NN)(CO1)C2	2023515838	MHCBGCYPIISUEP-MNOVXSKESA-N	241.291	-0.558	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@H]2CC[C@H]2C1	2050242011	KXXZSNATXVQBHH-DTORHVGOSA-N	249.318	-0.135	50	10	BBGE	
O=c1cc(O)ccn1Cc1ccc(B(O)O)cc1	2054654084	CZYMZCCBLGZJAD-UHFFFAOYSA-N	245.043	-0.718	50	10	BBGE	
O=c1c(B(O)O)cccn1CC[C@@H]1C[C@@H]1C1CC1	2058154718	GSGWVYQFBXOZDG-GHMZBOCLSA-N	247.103	-0.036	50	10	BBGE	
O=Cc1ccc(B(O)O)c([N+](=O)[O-])c1Cl	2060130163	CQZZZASATQWGTL-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
COc1cc(B(O)O)c(C=O)cc1C#N	2060197723	AMHLJYWZWPJCLX-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
N#Cc1c(B(O)O)cc(C=O)cc1C(F)F	2060230956	VTBZGQIVQIFBMV-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
Cn1nccc1COCc1ccc(B(O)O)cc1	2080328647	AGEAOUFLEPNDSK-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41	2086996401	YEEOSEFJKPZZDP-QNBDIFAHSA-N	243.071	-0.350	50	10	BBGE	
OB(O)c1csc(CN2CCCO2)c1	2209687194	YTDCUJOJEWLTGT-UHFFFAOYSA-N	213.067	-0.435	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210692266	WOCXGNHLQKUCNJ-DJLDLDEBSA-N	233.287	-0.450	50	10	BBGE	
OB(O)c1cscc1COC[C@@H]1CCOC1	2211137139	BIGJMGFKUOKANM-MRVPVSSYSA-N	242.105	-0.019	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1C[C@@H]2C[C@@H]2C1	2212272785	BHONDNZVDFFTQJ-JLIMGVALSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@H](C)C(=O)NN)C1	2212383378	FSBKEFPUQVVAIF-IUCAKERBSA-N	229.324	-0.437	50	10	BBGE	
CC#CCCCNc1ncccc1B(O)O	2212604447	WOLJVNZFDVCDER-UHFFFAOYSA-N	218.065	-0.023	50	10	BBGE	
CCC1(Cn2cc(B(O)O)cnc2=O)CC1	2212715001	FXGCJJLSXHDVPD-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@H]3C2)CC1	2213027205	FXAYBANWTLSYBD-GUBZILKMSA-N	239.319	-0.541	50	10	BBGE	
CCc1cnn(-c2nccc(B(O)O)c2F)c1	2217162339	HVBLCCUXLQOLRJ-UHFFFAOYSA-N	235.027	-0.351	50	10	BBGE	
CC(C)[C@](C)(N)COc1ncccc1B(O)O	2217174004	RXHJIFGNMDTFBE-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@H]1CCOC1	2217178211	SLFKVCQLPLLPPR-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CC[C@@H](O)CN(CC)c1ccc(B(O)O)cn1	2217181948	XINKEZKYTQYJHW-SNVBAGLBSA-N	238.096	-0.641	50	10	BBGE	
C#CCCN(c1ccc(B(O)O)cn1)C(C)C	2217182460	AXUKOZPZJDMZGR-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
OC[C@@H](Nc1cc(B(O)O)ccn1)C(F)(F)F	2217182561	FCOHIHOGKFKVBN-ZCFIWIBFSA-N	249.985	-0.904	50	10	BBGE	
CN[C@@H]1CCC[C@H]1Oc1ccc(B(O)O)cn1	2217184101	MQPUVEPLFUNTCB-NXEZZACHSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN=c1[nH]ccc(B(O)O)c1F	2217184717	VQCXHEALVVAJNS-SFYZADRCSA-N	238.071	-0.220	50	10	BBGE	
C[C@@]1(Oc2nccc(B(O)O)c2F)CCNC1	2217187389	XTNXLWMXSUHRAT-SNVBAGLBSA-N	240.043	-0.969	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C=CCCC2)[nH]c1	2217197486	MZZCJJNFVOVORW-SNVBAGLBSA-N	232.092	-0.049	50	10	BBGE	
OB(O)c1ccc(N2CCCC[C@@H](O)C2)nc1	2217202183	IXUCBOGMPXBPGI-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
Cc1cc(NC(=O)c2ccno2)cc(B(O)O)c1	2222241321	JIHRLNGLBWUHEZ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@H]2C2CC2)nc1	2223643982	COVMAKIXQCJLCY-CMPLNLGQSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@H]2CNC[C@@H]2C1	2223650522	NJNLGZDOHAWPRY-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
C#CC[C@@](C)(CN)COc1ccc(B(O)O)cn1	2223659233	STSXPRAVDDREAH-LBPRGKRZSA-N	248.091	-0.872	50	10	BBGE	
CN1CCCC[C@@H](Nc2ncccc2B(O)O)C1	2223666356	LMCMGQQJDMGPNQ-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cnc(N[C@H]2COC3(CCC3)C2)nc1	2223672890	VFXZKXQLVUILOH-SECBINFHSA-N	249.079	-0.720	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1c1cc(B(O)O)ccn1	2223675782	UCBUAXIIGYQHIS-KOLCDFICSA-N	249.123	-0.710	50	10	BBGE	
NC[C@@H]1CCCC[C@H]1Nc1cc(B(O)O)ccn1	2223675857	UFANJQDZINGBPL-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
CO[C@H](CO)CNC(=O)[C@H](C)Br	2242436386	NWAFDRXOCCYQID-WDSKDSINSA-N	240.097	-0.107	50	10	BBGE	
CN(C)NC(=O)N1C[C@H](O)CC[C@H]1C(=O)O	2242679244	SWNANIBXHRWJMC-RQJHMYQMSA-N	231.252	-0.918	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(F)c(F)c1	2243356137	BTUDGJSQBIXJSA-UHFFFAOYSA-N	224.959	-0.081	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)o2)[C@@H]1C	2243361438	BDCOCBRGNOFGIP-GJVVYLMISA-N	223.037	-0.656	50	10	BBGE	
Cc1cc(C(=O)NC2CCC2)oc1B(O)O	2243378173	NWTRKDYQVNZZFC-UHFFFAOYSA-N	223.037	-0.450	50	10	BBGE	
COC1(CF)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243381716	IUGNMVHTDGLJNK-BQBZGAKWSA-N	231.032	-0.954	50	10	BBGE	
Cc1nc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)s[nH]1	2243382531	PFEUOSZXQRDSFO-OLQVQODUSA-N	241.081	-0.540	50	10	BBGE	
NC[C@@H]1CCCN1C(=O)C1CC(B(O)O)C1	2243404150	KDOTYBADBYJMBE-HACHORDNSA-N	226.085	-0.811	50	10	BBGE	
Cn1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2243404740	SZXKDLGRAZOBAZ-DTWKUNHWSA-N	222.053	-0.496	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ccsc1B(O)O	2243407917	CDXQJWGYUDGQMS-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
COCCN(C[C@H](C)O)[C@H](C)CC(=O)NN	2244884668	XATOMTDXTHNCQO-BDAKNGLRSA-N	233.312	-0.916	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2245134800	XXKRAZIHEAJTJG-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247734075	RICKJXCNZWETSN-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
O=C(C#CB(O)O)N[C@]12CCCC[C@H]1OCC2	2247740187	HEFUTCKZBXYYCX-KOLCDFICSA-N	237.064	-0.780	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@@H]1CNC(=O)C#CB(O)O	2247741461	ACSYSGABJASBGC-HTRCEHHLSA-N	248.997	-0.294	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@H]1C1CCCC1	2247746867	FMBVLZHOWWLNSN-MNOVXSKESA-N	235.092	-0.056	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)[C@@H]1N	2247851586	HANWBXBQKQZZPP-ZOZBQHSOSA-N	240.112	-0.709	50	10	BBGE	
C=CCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247854409	CEVUACYMQLRLNB-ZJUUUORDSA-N	238.096	-0.821	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247855776	YAPLUJFLOOMCFC-UTINFBMNSA-N	241.096	-0.533	50	10	BBGE	
CC(C)NCCCNC(=O)C1CC(B(O)O)C1	2247858345	CYTFILZFALHPSB-UHFFFAOYSA-N	242.128	-0.256	50	10	BBGE	
CC1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2247859363	MILBCKKMMXAWHK-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C1(C)CC1	2247868575	VWDOZOHOLRMSGJ-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1CCNC12CC2)C1(B(O)O)CCC1	2247880285	YXHKXNLULPIPNS-QMMMGPOBSA-N	238.096	-0.606	50	10	BBGE	
CON(C(=O)c1cc(C)c(B(O)O)o1)C(C)C	2247891189	WQEKYTWBMJFJLY-UHFFFAOYSA-N	241.052	-0.320	50	10	BBGE	
CC[C@@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOC1	2247895533	APJGEDGSHKCYDS-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
C=C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247897002	MTTXYPINCKWZMY-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
CC1(C)C[C@H](N)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247898263	BTFBRRROGCIHMK-HRDYMLBCSA-N	240.112	-0.422	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1cc(B(O)O)ccn1	2248408966	WJNSGPSBADLFDC-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2248573949	LWMUSBYJGPLIJO-CSMHCCOUSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)C1=CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2248576804	LEUARHALDDRRMC-ZETCQYMHSA-N	239.036	-0.717	50	10	BBGE	
CCN(O)C(=O)c1cc(B(O)O)c(F)cc1C	2249387754	CGWMZGZBEYFTHW-UHFFFAOYSA-N	241.027	-0.335	50	10	BBGE	
CC[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2249427042	BTMAMMQPPGETNC-SNVBAGLBSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]1C(F)(F)F	2249999243	SZZZMSLYCLANRO-BQBZGAKWSA-N	248.997	-0.294	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2254575838	ZLHHMCHMIZPGIK-DTORHVGOSA-N	248.091	-0.384	50	10	BBGE	
CC[C@H](NC(=O)c1ccncc1B(O)O)C1CC1	2255454950	YRLVPLFRVJONEF-NSHDSACASA-N	248.091	-0.320	50	10	BBGE	
N#Cc1ccc(=NC(=O)C2CC(B(O)O)C2)[nH]c1	2255684279	JSEDEQCAXUNHRP-UHFFFAOYSA-N	245.047	-0.433	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1cncc(B(O)O)c1	2255721802	GAHCKZISCJUBHT-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccncc1B(O)O	2255728755	LEYKRQZWOSQZPM-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
C#CCC1CN(C(=O)c2cc(C)c(B(O)O)o2)C1	2255747637	ORDSEIRRGYWRJO-UHFFFAOYSA-N	247.059	-0.637	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1cc(B(O)O)co1	2258126067	BEDPDMIHFGZSGB-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C#CCN(OC)C(=O)Nc1ccc(B(O)O)cc1	2258263295	BLHYGESOYCJLEV-UHFFFAOYSA-N	248.047	-0.605	50	10	BBGE	
CNC(=O)c1nc(CNC(=O)CCl)no1	2296574339	MELVGKWQXSRLRG-UHFFFAOYSA-N	232.627	-0.716	50	10	BBGE	
C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1CO	2298368548	KVFRHHFNFJKOBY-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2298376991	AMJMUBAPYZHTRA-CIQUZCHMSA-N	239.080	-0.921	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298463634	PTPGDCOOGPEVCC-LXGUWJNJSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2298463643	PVKAOUPFISJKPK-VGRMVHKJSA-N	241.052	-0.924	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]1C[C@@H]2O	2300194820	SXLYMARPEXSLLC-KJPMQGKISA-N	239.319	-0.542	50	10	BBGE	
COC[C@](C)(OC)C(=O)N1CC[C@@H](B(O)O)C1	2303111724	MGBHMZWLFHGOJK-SCZZXKLOSA-N	245.084	-0.887	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H]1CN2C)C(=O)NN	2303414312	WTKKOQBGAFDACV-NHCYSSNCSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3CC[C@H]2C3)ncc1F	2303834358	DVJCPZKUINNDFT-YUMQZZPRSA-N	236.055	-0.111	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cc2C#N)CCOC1	2317150162	BNDFLIMRDDEPBL-GFCCVEGCSA-N	247.059	-0.204	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1CN	2317164050	UZICJCKJNUWOHX-GZMMTYOYSA-N	245.091	-0.613	50	10	BBGE	
CN[C@H](C)CCNc1ccc(B(O)O)cc1C#N	2317166525	WBBDKPXWXVRENV-SECBINFHSA-N	247.107	-0.352	50	10	BBGE	
O=Cc1ccc(N2CCC[C@H]2CO)cc1B(O)O	2317311092	KPWSXQWAGAOSFP-NSHDSACASA-N	249.075	-0.860	50	10	BBGE	
N[C@H](CCO)C(Br)[C@H](N)CCO	44234164	HYVQAPTXHUSOEH-PHDIDXHHSA-N	241.129	-0.831	50	10	BBGE	
CC[C@H](OC1CCOCC1)C(=O)NN	82465551	ZNVALZRRXNSHPO-QMMMGPOBSA-N	202.254	-0.050	50	10	BBGE	
CN(CCC(=O)NN)CC1CC(O)C1	84453481	ZEKWEVJJDPASOM-UHFFFAOYSA-N	201.270	-0.931	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1CCCC(=O)NN	110590140	RLSDRLVILJBIJB-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CNCCCN(C)Cc1occc1C(=O)NN	125013542	WJCUMNNXRLTRPF-UHFFFAOYSA-N	240.307	-0.076	50	10	BBGE	
C[C@H](O)CN(C)CC(=O)NNC(=O)C1CCC1	156359946	YUBLODBQZGNELO-QMMMGPOBSA-N	243.307	-0.754	50	10	BBGE	
CC1(C)CN(C(=O)C(=O)NN)CCS1	159017043	CXMNJQGVCGCDSG-UHFFFAOYSA-N	217.294	-0.670	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(F)cc2B(O)O)n1	199006536	TXISATHTUAUPDL-UHFFFAOYSA-N	249.054	-0.238	50	10	BBGE	
Cc1nccn1CCOc1cncc(B(O)O)c1	203524563	QIQSYOCDHAGBGZ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
NNC(=O)CN(CCCO)C1CCC1	228568387	LISUTBMVWWLEHE-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CC(=O)OC(=O)N[C@H]1CC(=O)OC1=O	238130731	JGZHAURHZWQJIY-BYPYZUCNSA-N	201.134	-0.899	50	10	BBGE	
COC(=O)[C@H](NC(=O)CCl)[C@@H](C)O	238801262	UDCOYZWGBWAHDV-INEUFUBQSA-N	209.629	-0.736	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[C@H]1O	253206204	WWKTVMLCCKHIRK-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CNC(=O)CSCCCCC(=O)NN	300861071	VJBGEIRSGYPOCP-UHFFFAOYSA-N	219.310	-0.374	50	10	BBGE	
NNc1c(CCl)cccc1B(O)O	307646256	BSNOBZNTCRNBDG-UHFFFAOYSA-N	200.434	-0.609	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H](O)CC	308214922	IORUTRWDPUEANP-RXMQYKEDSA-N	205.283	-0.728	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CN)C1	310336156	BJCDAYIBUGTGOQ-UMNHJUIQSA-N	242.367	-0.082	50	10	BBGE	
CCNC(=S)NNC(=O)CCC=O	379353874	GPWLPVIIIFPFIM-UHFFFAOYSA-N	203.267	-0.519	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H]1CCN(C)C1	381596825	FTDSPUSWFXHBMA-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(OC)cn1	382390887	TXRIEQBVTXFVKL-ZETCQYMHSA-N	214.225	-0.931	50	10	BBGE	
N#CCCc1cccc(CO)c1B(O)O	396042306	RFNCIXRDIHFINU-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
O=Cc1c(CCC(=O)O)cccc1B(O)O	396051322	LZERTVLYSKMMOH-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1ccc(C(=O)O)c2sc(B(O)O)cc12	396243406	OXZLASSXBJVECK-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCCO)C1CC1	404252147	NUVKFCCIPMKBBN-SECBINFHSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](NC(=O)C1CC1)c1ccc(B(O)O)cc1	404996683	IFABSJWPBKXVLV-MRVPVSSYSA-N	233.076	-0.046	50	10	BBGE	
CC[C@H](NCc1ccc(B(O)O)cc1)[C@H](C)O	585044235	BUGMDSCCDIZOEA-CABZTGNLSA-N	237.108	-0.385	50	10	BBGE	
COc1nccnc1CN1CC[C@H](B(O)O)C1	585076593	OSAMNDFSMWPJCE-QMMMGPOBSA-N	237.068	-0.466	50	10	BBGE	
N=C1N[C@H]2CC[C@@H](Cl)N[C@H]2[C@@H](O)N1	605657966	ORCXFNAHNQAHRT-UNTFVMJOSA-N	204.661	-0.882	50	10	BBGE	
CCS(=O)(=O)NCC[S@](=O)Cl	675070811	DDACDBQTYHSEDM-JTQLQIEISA-N	219.715	-0.172	50	10	BBGE	
C[C@@H](CO)CSCC(F)(F)C(=O)NN	685956685	YTWUKXUVLVNGDE-YFKPBYRVSA-N	228.264	-0.027	50	10	BBGE	
OB(O)c1cnn(CC#Cc2ccccc2)c1	694517356	ZEYQMIAOCLEYGE-UHFFFAOYSA-N	226.044	-0.385	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1n1cc(B(O)O)cn1	694534691	FRUNTLZIXVGGIY-VHSXEESVSA-N	224.069	-0.307	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@H]1CCO	694918512	DQUVYFUTFIPUFA-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
NC(=O)CN1CCN(C(=O)OCCl)CC1	700786081	MXENOWBBCQTXON-UHFFFAOYSA-N	235.671	-0.578	50	10	BBGE	
N#C[C@@H]1CCN(CCCCC(=O)NN)C1	703285407	HNPQWVAHVRNXTK-VIFPVBQESA-N	210.281	-0.008	50	10	BBGE	
CN(CCCCC(=O)NN)[C@H]1C[C@@H](C(N)=O)C1	703508269	PCAUPFVNBZLSPO-DTORHVGOSA-N	242.323	-0.658	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cn2)cn1	703724302	MLMAJZSDZSLQCV-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
N#Cc1ccc(CC(=O)NCB(O)O)cc1	704672095	BOIPYRWVZVKAAT-UHFFFAOYSA-N	218.021	-0.771	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](N2CCC2)C1	705336802	QOQFCGKJOBYCDA-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
Cc1nn(CC23CC(CO2)C3)c(C)c1B(O)O	716134064	XXVUPDLKGJFGBF-UHFFFAOYSA-N	236.080	-0.641	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCS[C@@H](CCO)C1	720083688	ASLYZZKPNBFPBP-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCOC2)O1	792616764	YBBZGUXPYCNNMK-HRDYMLBCSA-N	242.275	-0.262	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN(C)[C@H](C)CO	911445521	XJSIHXGPXHPGAO-YKCGFPGDSA-N	202.254	-0.733	50	10	BBGE	
O=C1NC(=O)N(C[C@H]2CCN2)C[C@@H]1Cl	953103141	FGKHJKZCVLJHKP-RITPCOANSA-N	217.656	-0.493	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)N[C@@H]2CC23CC3)cn1	1326210093	DUPAVNCYQCWUPO-MRVPVSSYSA-N	249.274	-0.083	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC1(C(N)=O)CC1	1545760064	QKAFZOZFTNINBM-VOTSOKGWSA-N	223.232	-0.436	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2nc3ccccn3n2)N1	1567572396	MLUOGTOMLZUOFW-ZCFIWIBFSA-N	246.230	-0.939	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880022361	BLWQVQSQRZKGTC-RNFRBKRXSA-N	247.295	-0.407	50	10	BBGE	
O=C(CCl)NCC[C@@H]1CCNC1=O	1883493345	DRYGCNYBXJIVSQ-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
CON(CCN)C(=O)C=CC(=O)Cl	1883627167	QYSRAQSNSYQRTO-UHFFFAOYSA-N	206.629	-0.343	50	10	BBGE	
OB(O)c1csc(O[C@@H]2CC2(F)F)n1	1885986130	GSWNMTPUJQOBBK-GSVOUGTGSA-N	220.993	-0.391	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)C(F)F	1887195918	GPLXMADXDARKRK-UHFFFAOYSA-N	209.196	-0.616	50	10	BBGE	
CN1CC(=O)N(C[C@H]2C[C@H]2Cl)C(=O)C1	1893098029	GPRGREYHZWYOAI-RNFRBKRXSA-N	216.668	-0.086	50	10	BBGE	
C=C(CN(OC)[C@H]1CCOC1)B(O)O	1895210834	AUAHRXDHXRUQGM-QMMMGPOBSA-N	201.031	-0.793	50	10	BBGE	
CN(NC(=O)C1CCC(=O)CC1)S(C)(=O)=O	1901358853	FXZGXCGGRGLQOK-UHFFFAOYSA-N	248.304	-0.332	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@@H]2C[C@H]21	1902419039	AJPSOWZZBHMODA-OPRDCNLKSA-N	221.065	-0.303	50	10	BBGE	
Cc1ncncc1CN1CC[C@H](B(O)O)C1	1902505619	KFYLIMFAXSAVTE-JTQLQIEISA-N	221.069	-0.166	50	10	BBGE	
C[C@@H](CN(C)C)N(C)CC(F)(F)C(=O)NN	1904707845	OFSFHBPOPKEKAV-ZETCQYMHSA-N	238.282	-0.507	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C[C@H]1C[C@H]1F	1908989512	ZNLGPUVJECBIAG-UTINFBMNSA-N	245.298	-0.186	50	10	BBGE	
COC(=O)C(C#N)=C1N(C)N=C(SC)N1N	1911850816	KKFSYNHLWIKEAO-UHFFFAOYSA-N	241.276	-0.350	50	10	BBGE	
CC1(C(=O)Nc2ncccc2B(O)O)CCC1	1913618903	SGLXCCLRTUFZAC-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CCOC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1927906463	ANSVRABCVMHLML-CBAPKCEASA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)CCN1CCC2(CCC2)C1=O	1928142442	AULNXLFJJFXEMA-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
COC[C@@H](OC1CC(F)(F)C1)C(=O)NN	1929653051	GBTJDLDHGABVBC-ZCFIWIBFSA-N	224.207	-0.194	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNCCO)[C@H]1C	1929839158	YVRXNFUENDVAFN-RBXMUDONSA-N	216.281	-0.341	50	10	BBGE	
CN(C)C[C@H](Cl)CN=c1nc[nH]n1C	1930288909	FCNAPZZEFZRDHZ-SSDOTTSWSA-N	217.704	-0.182	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H]3C2=O)CC1	1931266708	JHEOZBXQBQQPKJ-RQJHMYQMSA-N	209.249	-0.765	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H](O)C[C@H]2C1	1931413252	PPAVXVHMYGLTOR-YIZRAAEISA-N	213.281	-0.931	50	10	BBGE	
CN(C)[C@@H]1CN(Cc2nnnn2C)C[C@H]1Cl	1936883113	RSXNFUPSMDKYEZ-HTQZYQBOSA-N	244.730	-0.437	50	10	BBGE	
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NN)C1	1937169654	RIOIOZTWDPYQFJ-SSDOTTSWSA-N	230.268	-0.268	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1940286601	DUTLYSCFLAIMLB-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
CC1(CO)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941082832	JSFJRWNIFQIUAY-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)CCO1	1944012694	FSLHQXVXMLUOQS-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@H]1C[C@H]1C(=O)NN)C2=O	1946988492	QGQDOIQEFGTGDA-MNRJBDMISA-N	237.259	-0.993	50	10	BBGE	
NS(=O)(=O)NCCCNC(=O)OCCl	1955104287	LVIVJVHFQDZGAT-UHFFFAOYSA-N	245.688	-0.908	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955550107	VDVWPJXSMPLXIJ-BGKGJTHRSA-N	221.684	-0.988	50	10	BBGE	
NC(=O)C[C@@H]1CCN(C[C@H](O)CCl)C1	1956252171	NDBNKNHOPFTQJZ-JGVFFNPUSA-N	220.700	-0.217	50	10	BBGE	
CC(C)CO[C@@H](C)C(=O)NNCCO	1956345133	JLVOODUYKNMHIH-QMMMGPOBSA-N	204.270	-0.339	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2CCC[C@H]21	1956782335	QIWUBDPZIVQZOY-HTQZYQBOSA-N	215.322	-0.054	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@@](O)(CN)C1	1957256758	OREJXDBHUWOVBQ-RKDXNWHRSA-N	217.700	-0.097	50	10	BBGE	
CN(C)NC(=O)[C@@]12CC[C@@](CN)(C1)OC2	1958919491	QIFJWBGDZPBQMZ-UWVGGRQHSA-N	213.281	-0.523	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1959511003	KQDAMOVTYNDJOS-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
O=C1NC[C@@H]2CN(C[C@H](O)CCl)CCN12	1960164203	SKEXWYVFNAQGMT-HTQZYQBOSA-N	233.699	-0.705	50	10	BBGE	
OCC(CO)[C@H]1CCN(C[C@@H](O)CCl)C1	1961298990	UNSUNBNFPMOBBC-WPRPVWTQSA-N	237.727	-0.491	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@@H]2CCCO2)CC1	1978606882	PFPZRJYULARHKQ-ZETCQYMHSA-N	227.264	-0.948	50	10	BBGE	
CC1CC(CO)(N(C)C[C@H](C)C(=O)NN)C1	1978670282	SIPXTDGFXNIDEY-YUCVTWSNSA-N	229.324	-0.295	50	10	BBGE	
O=C(NCc1sccc1B(O)O)[C@H]1C[C@@H]1F	1982807232	CHFPYYPVIWGXGA-FSPLSTOPSA-N	243.068	-0.598	50	10	BBGE	
C[C@H](F)[C@H]1CCCN1CCOCC(=O)NN	1985220886	MNZSAXUVQWPUDA-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CC[C@@H]2C1	1987899996	OLDWUWASDYBDKH-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CCCN(C)CC1	1989761855	RWMBKIVRJAYOML-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)S[C@H](C)C1	1990775498	WITRKALTHNEKFT-HTQZYQBOSA-N	245.348	-0.021	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC2(CC2)CO1	1991326652	JBWATJNYSWKCJU-QMMMGPOBSA-N	225.053	-0.760	50	10	BBGE	
NC(=O)[C@@H]1CNCCN1C(=O)C1CC(Cl)C1	1991697244	VRGIJJBNQOCDQC-RRQHEKLDSA-N	245.710	-0.711	50	10	BBGE	
C[C@@]1(CO)C[C@@H](O)CN1C(=O)/C=C/C(=O)Cl	1991706517	QGSGDVVANOGDOS-ZVAGAUQRSA-N	247.678	-0.348	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H](CO)C[C@@H]1CO	1991706593	RDWRLUCPCHYHRK-PPYPBTKYSA-N	247.678	-0.490	50	10	BBGE	
C=C(CN1CCN(CCSC)CC1)B(O)O	1992153124	MFCCIZGPAGQUJE-UHFFFAOYSA-N	244.169	-0.465	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@H]21	2002909147	LVHSMOFHNSIVCP-HBNTYKKESA-N	240.351	-0.221	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CCC[C@H]2C1=O	2004108585	FJDZYQBDHGBLLB-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
CC[C@@H](COC)N(C)c1ccncc1B(O)O	2004912396	SIYRGYBXWCWKOA-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
CC(C)COCCOc1ncccc1B(O)O	2004953136	VJWDIGLCQPCBHN-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H](C)C2)ncc1B(O)O	2004974082	FMYRRSRZCMAFBS-YUMQZZPRSA-N	235.096	-0.443	50	10	BBGE	
C=C1CON(c2nc(C)nc(C)c2B(O)O)C1	2005016551	QZKBFENXBDVAIF-UHFFFAOYSA-N	235.052	-0.919	50	10	BBGE	
CCC[C@H](OCCN1CCOCC1)C(=O)NN	2007033762	CJLLNKVBPRASQV-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
CCC(F)(F)CCn1cccc(B(O)O)c1=O	2008844992	VRAXHOQSEYAPGX-UHFFFAOYSA-N	245.034	-0.037	50	10	BBGE	
CN(C)CCN(C)C[C@H]1CC[C@H](C(=O)NN)C1	2010835899	UBYINAODYZUACD-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)cn1	2011371852	FENHDKQISPIIDD-XVKPBYJWSA-N	236.275	-0.750	50	10	BBGE	
C[C@H](F)CN1CCN(C[C@@H](C)C(=O)NN)CC1	2015813047	BWMQEOZDKRMQGU-ZJUUUORDSA-N	246.330	-0.412	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H]2COC[C@H]21	2017525155	NWJSJLLHWAXJRG-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
Cc1nc(O[C@H]2CCC[C@@H]2F)ncc1B(O)O	2020493158	IPZOUFGLPZDFSZ-IUCAKERBSA-N	240.043	-0.266	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCO[C@H]2C[C@H]21	2051854139	PUHGMDYBUGTKJI-MNOVXSKESA-N	248.286	-0.342	50	10	BBGE	
CN(C)[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2052471578	GAFSNWHWDGWFNJ-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
CCOc1c(C)ccc([N+](=O)[O-])c1B(O)O	2060033893	ZDNSGJXPYIFOFK-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1ccc(C=O)c(B(O)O)c1F	2060110820	AUFCZAXXYVOHJS-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
O=Cc1cc(Cl)cc(B(O)O)c1[N+](=O)[O-]	2060133467	BRXBBEGFKADTMP-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
N#Cc1cc(C=O)cc(C(F)F)c1B(O)O	2060234982	CZFZEEYDAWZWRQ-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
C=CC1(O)CN(Cc2cncc(C(=O)NN)c2)C1	2074504908	QSQPCLSXDJGTPW-UHFFFAOYSA-N	248.286	-0.582	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1ccccc1B(O)O	2079008325	IARAKTQYMQDHRJ-JTQLQIEISA-N	245.087	-0.102	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	2087008986	NDCWLRGNHYVNRQ-OWIVFJDISA-N	249.314	-0.404	50	10	BBGE	
OB(O)c1cccnc1SC[C@H]1CCNC1	2212599664	MBTVWTKKCLHHSP-QMMMGPOBSA-N	238.121	-0.537	50	10	BBGE	
CC#C[C@@H](C)Oc1nccc(B(O)O)c1F	2212607315	JSFOQPFZAFKWKF-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCC1CCC1	2212717188	NTFZVCBXJPRCPI-UHFFFAOYSA-N	222.053	-0.887	50	10	BBGE	
CCON(CCN)Cc1cccc(B(O)O)c1	2214593344	RVNZSZNMZRPXTQ-UHFFFAOYSA-N	238.096	-0.921	50	10	BBGE	
CON(C)C1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215770722	DCODYMFPWCPJRB-WPRPVWTQSA-N	242.323	-0.820	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2CC[C@@H]2C(=O)NN)C1=O	2215774374	WQLLIHOOJAJHEZ-CSMHCCOUSA-N	239.275	-0.603	50	10	BBGE	
CNC1CC(COc2ncccc2B(O)O)C1	2217174608	WJXURFGKVSANPQ-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CC1(Nc2cc(B(O)O)ccn2)CCOCC1	2217177450	JEUBKUNKSWPAOD-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
C[C@@]1(O)CC[C@@H](Nc2ncccc2B(O)O)C1	2217194738	CGDIPQXYDRVNCW-LDYMZIIASA-N	236.080	-0.523	50	10	BBGE	
CC(C)(C)[C@@H](N)COc1cc(B(O)O)ccn1	2217194829	DAFTYVVAXSMFRQ-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
CO[C@@H](CNc1ccc(B(O)O)cn1)C1CC1	2217199187	AVZXBZNDYRGQCD-JTQLQIEISA-N	236.080	-0.402	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1ncco1	2217199418	MDJBROLPGQLZEQ-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
NC[C@]1(F)C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217199604	NPVVHKCHXCQTJB-WAAGHKOSSA-N	239.059	-0.997	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(c1ccncc1B(O)O)C2	2222837839	AILYRUUDKMJFBT-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2COC3(CCC3)C2)c1	2223626196	GZEHGIIZHRPUSS-JTQLQIEISA-N	248.091	-0.115	50	10	BBGE	
Cc1c[nH]c(=NCCc2ccoc2)cc1B(O)O	2223642518	KHHLGJZLJDUQGF-UHFFFAOYSA-N	246.075	-0.261	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](Nc1ccc(B(O)O)cn1)C2	2223643792	AJUKPDDFGLWFNL-ADEWGFFLSA-N	248.091	-0.259	50	10	BBGE	
Cc1cnc(NCc2cn(C)cn2)cc1B(O)O	2223651137	AOJFRWXIUCMPRV-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cncn1C	2223666768	NZHUBIPWMVYLBN-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
N#C[C@H](Cl)CN1CC(O)(CCO)C1	2241809129	SVRLTUMAQPLEDV-ZETCQYMHSA-N	204.657	-0.454	50	10	BBGE	
CC12CC(NC(=O)C3(B(O)O)CC3)(CO1)C2	2243363277	DFFBXNXLJSHNDX-UHFFFAOYSA-N	225.053	-0.569	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)C1(B(O)O)CC1	2243364005	PPNNKQOXTKIYCH-ZETCQYMHSA-N	227.069	-0.635	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CC2)CCC[C@H]1O	2243364909	FCIDXWYUQSDDOX-VXNVDRBHSA-N	227.069	-0.587	50	10	BBGE	
C=C1CN(C(=O)c2scc(B(O)O)c2C)C1	2243380973	BHVFJQNAENFAPW-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243380986	BNIMLRMUGQSIRF-BQBZGAKWSA-N	223.041	-0.803	50	10	BBGE	
NCc1csc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2243392057	QVYUOZAZUNBLLM-NTSWFWBYSA-N	241.081	-0.597	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)[C@H]1CCCCO1	2243399788	QLHIXUAVENLGOM-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc(F)c1O	2243400634	FLOBMTFFPZHGHF-UHFFFAOYSA-N	222.968	-0.515	50	10	BBGE	
CC(C)CN(C)C(=O)c1ccoc1B(O)O	2243404716	SQTXUUQCIDCKNL-UHFFFAOYSA-N	225.053	-0.313	50	10	BBGE	
O=C(NCc1ncc[nH]1)C1CC(B(O)O)C1	2243413792	NKTZIEFOTAUAFI-UHFFFAOYSA-N	223.041	-0.721	50	10	BBGE	
CCOCCN(CC)C(=O)[C@H]1C[C@@H]1B(O)O	2243426235	FYGPPFCZVKDYQV-IUCAKERBSA-N	229.085	-0.266	50	10	BBGE	
O=C1NCCC[C@H]1N1CCC(B(O)O)CC1	2244180673	PSDGDYGQXGQQMP-SECBINFHSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1ccc(OCc2ncco2)cc1	2245257933	QPBLOTFDKNFTBQ-UHFFFAOYSA-N	219.005	-0.067	50	10	BBGE	
CC[C@]12CO[C@](CNC(=O)C#CB(O)O)(C1)C2	2247739849	CALHXUBPDCUWMS-PHIMTYICSA-N	237.064	-0.923	50	10	BBGE	
C[C@@H]1CCC[C@H](CN(C)C(=O)C#CB(O)O)O1	2247741522	BECCAPRLHYSUHH-NXEZZACHSA-N	239.080	-0.582	50	10	BBGE	
O=C(NCc1ccnc(O)c1)C1(B(O)O)CC1	2247751038	RWFRWECJCGIOMA-UHFFFAOYSA-N	236.036	-0.590	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)C1(B(O)O)CCC1	2247758981	YTTIITFVPVYOQQ-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
CN(Cc1cncnc1)C(=O)[C@@H]1C[C@H]1B(O)O	2247798560	VLFLVMJKPAOREM-RKDXNWHRSA-N	235.052	-0.702	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247804585	HRZCRULUSFDFLF-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N(O)CC	2247855732	XLHVFSVMADDCAE-UHFFFAOYSA-N	240.068	-0.571	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cncc(B(O)O)c1	2247869437	RKZHWXGMCXNVMW-RDDDGLTNSA-N	234.064	-0.710	50	10	BBGE	
O=C(N[C@]12CCOC[C@@H]1C2)C1(B(O)O)CCC1	2247877697	IYOBIPCUYNATDC-KWQFWETISA-N	239.080	-0.321	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	2247891901	PZSUZVJTNNUYMS-YUMQZZPRSA-N	234.064	-0.792	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCOCC1	2247895193	PSEZOIAEKQNZSS-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H]1B(O)O	2247897929	YNLLJQDKLAPWMP-HRDYMLBCSA-N	237.068	-0.749	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H]2B(O)O)n(C)c1C	2247898781	HQRGPAYORLGLLM-YUMQZZPRSA-N	237.068	-0.162	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H]2CNC[C@H]21	2247905979	WKEWXUZEHPIKIY-AUXWQGHOSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)[C@@H]1CC=CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248573650	HWOOEQMYBXTIMV-CSMHCCOUSA-N	239.036	-0.909	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248574624	BZHIAKNOUHCCLI-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248574674	UIURFAUSPDJIQG-XLPZGREQSA-N	241.052	-0.685	50	10	BBGE	
COC[C@@]1(C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2248711397	OGFJDKBYDVSUFZ-TURQNECASA-N	241.096	-0.219	50	10	BBGE	
CCN1CC[C@@H](N2CCC(B(O)O)CC2)C1=O	2249347121	QOQBUBTXVOZXQH-SNVBAGLBSA-N	240.112	-0.454	50	10	BBGE	
C[C@H](CNC(=O)c1cocc1B(O)O)C(F)F	2249415152	AGTJTRNXBPVZPX-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)co1	2249430698	OXRIUWNEQBSECK-SECBINFHSA-N	235.048	-0.509	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1CC=CC1	2249434185	WPTJIIGRXFGCLV-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
COCCN(C[C@@H](C)O)[C@H](C)CCC(=O)NN	2250551083	FQKBSLFRLKNZNP-NXEZZACHSA-N	247.339	-0.526	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCCCCC#N	2255508683	OHEUAQZYXFOQAW-UHFFFAOYSA-N	249.079	-0.871	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(C)ccc1B(O)O	2255509095	HQESQJWNIYWZFS-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CCC[C@H]1C2	2255669136	JXRATLWOHAUHQM-WPRPVWTQSA-N	248.091	-0.291	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1[C@H]2CCC[C@H]1C2	2255716635	DXLUSAFRDSODEB-UWVGGRQHSA-N	246.075	-0.472	50	10	BBGE	
C=C=CCCNC(=O)c1ccc(B(O)O)cc1O	2255956141	ZGUJERUGDCDMEV-UHFFFAOYSA-N	247.059	-0.467	50	10	BBGE	
C#CCCC(=O)N1Cc2ccc(B(O)O)cc2C1	2256597682	IGUNSCYDWMWLJP-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1cncc(B(O)O)c1	2260233442	MAEQMWWQHZALIH-VIFPVBQESA-N	248.091	-0.297	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1C[C@@H]1B(O)O	2298369831	GVTFXOFSXAIMPS-SVSWQMSJSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)O1	2298371523	NIRIQFKZMZXLNZ-HOTMZDKISA-N	241.096	-0.221	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298375649	UFAFTTDMFHIODS-VVULQXIFSA-N	238.096	-0.813	50	10	BBGE	
NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)C1CC(B(O)O)C1	2298376562	CIKYGOZKXCVQJU-WVHJSVDISA-N	238.096	-0.955	50	10	BBGE	
C=CC1(O)CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300400928	XGXDCRZEDRUJFB-VHSXEESVSA-N	239.319	-0.375	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC(CF)CF	2301341593	RBVVNXVIQXZDTF-UHFFFAOYSA-N	241.002	-0.076	50	10	BBGE	
C[C@@H](CCO)Nc1ccc(B(O)O)cc1C#N	2301346972	WOQWZPJPGQQZAA-QMMMGPOBSA-N	234.064	-0.579	50	10	BBGE	
C[C@H](COC1CC(n2cncn2)C1)C(=O)NN	2301612983	BGRSUQFKCBRZHG-AFPNSQJFSA-N	239.279	-0.376	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1	2303098394	XEEDNDRPLZRDAF-RCWTZXSCSA-N	241.096	-0.661	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCN2CCOCC2)C1	2303132475	HBPCOICVKROAHW-NSHDSACASA-N	242.128	-0.743	50	10	BBGE	
CC[C@](C)(CN1C(=O)[C@H]2C[C@@H]2C1=O)C(=O)NN	2303435955	ZGANFFVXXXBFED-OKTBNZSVSA-N	239.275	-0.603	50	10	BBGE	
NC(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1	2303863960	UGXCTMPXWSCRAR-UHFFFAOYSA-N	247.969	-0.124	50	10	BBGE	
C[C@@H](C#N)CN(C)c1ccc(C=O)c(B(O)O)c1	2317311257	NFKXPLROVFSAKZ-VIFPVBQESA-N	246.075	-0.225	50	10	BBGE	
NNC(=O)CS(=O)(=O)Cc1ccccc1	36456813	VNMZECBJKHJQEV-UHFFFAOYSA-N	228.273	-0.409	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cnc(C#N)n1	86313832	QNBPALUZBKRCDH-WDSKDSINSA-N	208.225	-0.663	50	10	BBGE	
NNC(=O)c1ccc(CSC[C@H](O)CO)o1	86661877	ZSPHVTUIRSXCMQ-ZCFIWIBFSA-N	246.288	-0.531	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@H]1C(N)=O	129321430	WUEPFSOYKIFWDF-RITPCOANSA-N	220.656	-0.674	50	10	BBGE	
C[C@H](NC(=O)CBr)C(=O)O	140365032	DVRGRODLEBWDNH-VKHMYHEASA-N	210.027	-0.029	50	10	BBGE	
NNC(=O)N[C@@H]1CCCC[C@H]1C(N)=O	196651490	MCMOEFKKRRGIKR-PHDIDXHHSA-N	200.242	-0.797	50	10	BBGE	
CN1C(=O)N=C(N)[C@H](Br)[C@@H]1O	197856556	CZAIPGUEWQIKRG-OKKQSCSOSA-N	222.042	-0.509	50	10	BBGE	
COCCOCc1cc(B(O)O)ccc1OC	199003950	APQKIWKMJGHEAX-UHFFFAOYSA-N	240.064	-0.462	50	10	BBGE	
COc1cc(CCCO)cc(OC)c1B(O)O	201653986	AQIPPLLKDPZPKT-UHFFFAOYSA-N	240.064	-0.692	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2)C[C@H](C)N1C	214947532	VKGIRAGLKCNAPZ-QWRGUYRKSA-N	248.135	-0.105	50	10	BBGE	
CN1CCN(n2cnnc2CCl)CC1	215264256	MBABTHBSGKFSPB-UHFFFAOYSA-N	215.688	-0.100	50	10	BBGE	
N#C/C(=C/NCCCl)C(=O)N1CCNCC1	216965227	VVMCXZKUZKZTCS-HJWRWDBZSA-N	242.710	-0.346	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOc2ccccc2C1=O	228236020	LRRGLENLZMTINA-QMMMGPOBSA-N	249.270	-0.100	50	10	BBGE	
CO[C@H](C)COc1cncc(B(O)O)c1	228583054	HLOLSLGPFVEWPX-SSDOTTSWSA-N	211.026	-0.825	50	10	BBGE	
COC(=O)[C@H](I)CN	234583902	NLANVKVJFCFAOD-GSVOUGTGSA-N	229.017	-0.078	50	10	BBGE	
CO[C@H]1CN([C@@H](C)CCC(=O)NN)C[C@H]1OC	234815581	FEFHMMHNOJILNA-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
O=C=NC(=O)C[C@@H]1CCS(=O)(=O)C1	236413111	WGPROYWVCSQZPA-LURJTMIESA-N	203.219	-0.326	50	10	BBGE	
CCC(CC)(NNC(N)=O)C(=O)OC	238217136	ZWCLFAYIUNBNMW-UHFFFAOYSA-N	203.242	-0.109	50	10	BBGE	
CCOC(=O)[C@@H](C)N(N=O)NC(N)=O	238296248	DYSWUIDMENWUDU-SCSAIBSYSA-N	204.186	-0.495	50	10	BBGE	
NNC(=O)[C@@H](F)Cc1ccc(O)c(O)c1	238554115	UYMUCYJVMTVCLO-LURJTMIESA-N	214.196	-0.032	50	10	BBGE	
NCc1nc(C(F)(F)F)ccc1B(O)O	238576362	ZFIPCCKVLZEJJM-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
OB(O)c1ccccc1C1CCNCC1	238627939	WTGCPNJYOLTBEM-UHFFFAOYSA-N	205.066	-0.167	50	10	BBGE	
O=CC(=O)[C@H](Br)[C@@H](O)C=O	238722338	IBTSLGSTYHJGDR-WVZVXSGGSA-N	208.995	-0.922	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1COCCN1	306350335	MBUUKYJPTIKTCQ-RXMQYKEDSA-N	227.091	-0.105	50	10	BBGE	
O=c1cnccn1C[C@@H](O)CBr	306384945	BVXNQMGAGWLRFG-LURJTMIESA-N	233.065	-0.001	50	10	BBGE	
CO[C@@H]1O[C@H](CBr)[C@@H](O)[C@@H]1O	306431874	XDYMFLLJHRJOHK-ARQDHWQXSA-N	227.054	-0.526	50	10	BBGE	
CC(C)(O)CNNC(=O)C(F)(F)F	307203065	DQVMHYYKMUWYQJ-UHFFFAOYSA-N	200.160	-0.060	50	10	BBGE	
Nc1ccc([C@H]2CCCNC2)cc1B(O)O	309351697	DXIWQTRKPKLMGU-VIFPVBQESA-N	220.081	-0.584	50	10	BBGE	
C[C@@H](CO)N(C)Cc1nc(C(=O)NN)co1	386681969	QLEDFKIPWQCTRX-LURJTMIESA-N	228.252	-0.909	50	10	BBGE	
OB(O)c1cc2ccccc2c2cnnn12	390049108	FVGBJAOFXNTGCB-UHFFFAOYSA-N	213.005	-0.438	50	10	BBGE	
O=CCCc1c(S)cccc1B(O)O	396030592	IJFFZRNDLXRNPN-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
O=C(O)CCc1cccc(B(O)O)c1[N+](=O)[O-]	396059002	XLYZEQVUWXQKDV-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
CC(=O)Cc1cccc(CC(=O)O)c1B(O)O	396134565	BDMZRGREHDDVJK-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)CC[C@@H]1C	399397098	DZPGWAYYNSKNGH-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[S@@](=O)NCc1ccc(B(O)O)cc1	404911526	CCNKRZUELBAZAY-MRXNPFEDSA-N	241.121	-0.472	50	10	BBGE	
COC[C@@H](CN(C)[C@@H](C)CC(=O)NN)OC	691286778	NWEKYZGZLUPSSI-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC1CN(C)C1	692717142	BEQZGWXSTHTRQL-SNVBAGLBSA-N	228.340	-0.362	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CCC(N)=O	695099568	KVRIBDUCQOGPQM-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
COCCN(CCF)[C@H](C(=O)NN)C(C)C	700385733	URCWNAPRIQJMHN-VIFPVBQESA-N	235.303	-0.081	50	10	BBGE	
CNNC(=O)c1cnc2ccccn2c1=O	704658182	WECXLPOUOFQNAQ-UHFFFAOYSA-N	218.216	-0.441	50	10	BBGE	
C[C@H](CN1C[C@@H]2CN(C)C[C@H]2C1)C(=O)NN	706305877	CNAQKPWGAROQJO-UTLUCORTSA-N	226.324	-0.894	50	10	BBGE	
O=C(CCl)N1CCC[C@@H](CO)[C@H]1CO	709858964	HLIZYANFCMZLQH-JGVFFNPUSA-N	221.684	-0.183	50	10	BBGE	
CS(=O)(=O)C1CC(C#N)(N=C=O)C1	716100261	GDAKZIQRJSDUMQ-UHFFFAOYSA-N	200.219	-0.208	50	10	BBGE	
CNC(=O)NNC(=O)c1c(Cl)n[nH]c1C	900352797	LTGFXDINOZBIJR-UHFFFAOYSA-N	231.643	-0.055	50	10	BBGE	
C[C@@H](CCl)CNC(=O)Cn1cnnn1	1142139688	XYQBJUUFSVQPEE-LURJTMIESA-N	217.660	-0.336	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNc1cccnn1	1152085834	RHRYVSRULGRNGL-UHFFFAOYSA-N	218.220	-0.115	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2csnn2)C1	1331825332	AOLKAVUJHCVHRV-LURJTMIESA-N	213.071	-0.413	50	10	BBGE	
O=C(C[C@@H]1COC(=O)C1)NNC(=O)NC1CC1	1442295631	QXULRXUXXWFABG-LURJTMIESA-N	241.247	-0.568	50	10	BBGE	
CCNC(=O)NNC(=O)c1cccnn1	1464484970	NKFVVUJKTQMHSW-UHFFFAOYSA-N	209.209	-0.560	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)c1cn[nH]c1	1534089548	CUGYRSRLMMQYBC-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
COCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1542343313	GBYBWDCVMMWJGQ-HTQZYQBOSA-N	240.263	-0.487	50	10	BBGE	
O=C(O)CN(CC(=O)O)NC(=O)C1CCCC1	1858081625	VZOZBWWKHDZTPD-UHFFFAOYSA-N	244.247	-0.321	50	10	BBGE	
CN(CC(=O)NN)CC1(Br)CC1	1881370475	HIWWCINLTRKJGD-UHFFFAOYSA-N	236.113	-0.164	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1C(=O)NN	1885614174	KYWJQKNJFTXRPX-LURJTMIESA-N	200.242	-0.974	50	10	BBGE	
O=C(OCCl)N1CC([C@H](O)CO)C1	1887273865	QITXOLSOXUCJIM-ZCFIWIBFSA-N	209.629	-0.396	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](N=C=O)[C@@H]2C[C@@H]21	1892550379	UPRWFDZNOSDWPU-FXQIFTODSA-N	216.262	-0.255	50	10	BBGE	
CN(C[C@H]1C[C@H](F)C1)C(=O)C(=O)NN	1893673507	OLKYDUSHWSTIEY-IZLXSQMJSA-N	203.217	-0.817	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSc1ncncc1N	1894208664	QFPRFBAAMBZKOA-NTSWFWBYSA-N	239.304	-0.223	50	10	BBGE	
NNC(=O)NC[C@]12CCC[C@H]1CS(=O)(=O)C2	1897751088	LOKDGJRVLFYXPV-CBAPKCEASA-N	247.320	-0.626	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1O	1898644787	GVOHMAFSPYHUBL-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CN(C)CCOCCC[C@H]1C[C@@H]1C(=O)NN	1900496323	SVGXSGICGBLOIX-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CC#CCNc1ccc(B(O)O)cc1C#N	1901199544	KNHMMCTYAGVGOK-UHFFFAOYSA-N	214.033	-0.327	50	10	BBGE	
CN(CC1(O)CC1)[C@@H](C(=O)NN)C(C)(C)C	1901650103	NJTWLEAXCAOFNS-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC1(O)CC1	1901653347	YKFIHNAEILPAGZ-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(COC[C@@H]1[C@H]2COC[C@H]21)C(=O)NN	1902166609	XGTKBLZASYBDLL-BRPSZJMVSA-N	228.292	-0.089	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H]1[C@@H](C)O)C(=O)NN	1902716965	YQXVOWPEEVGNBM-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)C[C@H]1C	1907060951	TXZWBNDXTNIAFV-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C1(C)COC1	1907525857	WKZWVXWSTHMXIV-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CNC[C@H]2F)CC1	1907651191	KTSQSFBIGMYYJE-RKDXNWHRSA-N	241.266	-0.579	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN1Cc1occc1C(=O)NN	1908494949	VOEALTKXSRVPRN-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
CC(C)C1CC(N(C)C(=O)C(=O)NN)C1	1910301772	TZWDHRQLVOVHFM-UHFFFAOYSA-N	213.281	-0.131	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926418363	AMXHHRXWRBPKFT-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCc2nnnn2C)C1	1928752841	JJHPJQZMIPXXLY-BQBZGAKWSA-N	230.703	-0.779	50	10	BBGE	
Cc1sccc1CNC(=O)C(=O)NN	1930109996	BIPNLWLXZJUGBT-UHFFFAOYSA-N	213.262	-0.337	50	10	BBGE	
CN(C)C[C@@H](O)CN1C[C@@](C)(CCl)C1=O	1931734757	HHYXFGMWXJGWRQ-PSASIEDQSA-N	234.727	-0.004	50	10	BBGE	
NNC(=O)CN1CC[C@H]([C@@H]2CCCO2)C1	1932580865	AZPXTRFSBOUIBB-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)CC12CCC2	1934431354	SRDLLUKSQBCNRZ-MRVPVSSYSA-N	213.281	-0.644	50	10	BBGE	
CNC(=O)N(C)Cc1ccc(B(O)O)s1	1935213482	CPYNMEIUHIDTBT-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCCOC1	1936094241	LORQAADSOFGMLO-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCC[C@H]1C2	1936756718	MVBNDUAPPHAPTE-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1CCN(C(=O)NC(=O)CCl)[C@H]1C(N)=O	1937134632	CRPGEVVAZXLKGZ-CAHLUQPWSA-N	247.682	-0.343	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)Cn1ccnn1	1937146251	MYMAONKYPZQVOL-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)[C@@H]2COCCO2)C1	1937191386	TXJFKJFSDXKDNI-YIZRAAEISA-N	248.710	-0.561	50	10	BBGE	
NNC(=O)c1nc(CN2CC3CC2C3)ns1	1938564301	XFXZLHUBCPRBHF-UHFFFAOYSA-N	239.304	-0.264	50	10	BBGE	
CCCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941083220	OIVLSSQZOQILGJ-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(CCOCC(=O)NN)C1	1941772685	MTWMWZXHPRESCT-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@@H](O)[C@H](F)C2)c1	1944306873	FINPXGDCBIYAIM-RKDXNWHRSA-N	243.238	-0.602	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCNC(=O)C(C)(C)C1	1945231094	KWSHDCNFHXBIMU-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(C=O)CC1	1954211325	FUBMUTVBUWVGIF-QMMMGPOBSA-N	201.657	-0.109	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H](CO)C(=O)OC	1955560280	YKMQEQVPZQUNLY-NTSWFWBYSA-N	223.656	-0.346	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C[C@@H](O)CCl	1960155256	FZUYENARKHQUNN-YUMQZZPRSA-N	236.699	-0.967	50	10	BBGE	
CN(C)C[C@@H]1C[C@@H](O)CN1C[C@@H](O)CCl	1960160445	XSBUNNNPQNWTBY-AEJSXWLSSA-N	236.743	-0.417	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]1C(F)F	1961505259	GUHGATQJCHOHHT-FSDSQADBSA-N	219.235	-0.048	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962375375	DCGMPTQITKOBRD-BBVRLYRLSA-N	234.683	-0.237	50	10	BBGE	
O=C(CCCl)N[C@@H]1CCn2nnnc2C1	1974681262	LGBCOZVEOGQKPK-ZCFIWIBFSA-N	229.671	-0.267	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2C[C@H]2C1	1981471398	JALOAZCJBMJKMV-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
COC(=O)C1CN(C(=O)NC(=O)CCCl)C1	1982153948	QIIGDLCWJIUGCV-UHFFFAOYSA-N	248.666	-0.044	50	10	BBGE	
CCN(CC)[C@H](C)Cn1ccc(B(O)O)n1	1983811616	IRVWXKRXIHJVFM-SECBINFHSA-N	225.101	-0.707	50	10	BBGE	
C[C@H]1CNC(=O)CN1C(=O)NC(=O)[C@@H](C)Cl	1985210185	VOKYFBLTTMHDGA-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
CC(=O)NNS(=O)(=O)Cc1ccc(N)cc1	1989371523	SSZJRRPQBYRBGI-UHFFFAOYSA-N	243.288	-0.261	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)NCC=CB(O)O	1991337148	LYMLVAVOJMGHHX-SNVBAGLBSA-N	226.085	-0.845	50	10	BBGE	
O=C1[C@@H]2CNCCN2C(=O)N1C[C@H]1C[C@H]1Cl	1991441674	IBTUHHOCUMSTOO-PRJMDXOYSA-N	243.694	-0.150	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)C2(CCC2)C1	2000816059	ZMJYHHXKQIFJBX-BBBLOLIVSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)c1ccc(CN2CC=C[C@@H](O)C2)o1	2000934932	RPTKNAHNCRNKCJ-MRVPVSSYSA-N	237.259	-0.384	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2004916359	KTWGBUODQJKGST-QXFUBDJGSA-N	233.080	-0.609	50	10	BBGE	
Cc1cnc(N2C[C@H]3CC[C@H]3C2)c(B(O)O)c1	2005016905	WSMCWTJMTUPZTN-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H](CCO)C1	2005060217	HTDDMIBELAOJIQ-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
CN(C)CCCOCc1cccc(B(O)O)c1	2007020294	MSAVTCWUEYKYKR-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	2008047898	TWMPDYKJPRCOCA-IMSYWVGJSA-N	241.335	-0.154	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1C[C@H](O)[C@H]1C	2011372114	GOGMPDDRPMJVGZ-MUWHJKNJSA-N	239.275	-0.243	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)C(=O)NN)nnc1C	2013213660	PIZIUKASSYRHAL-SECBINFHSA-N	237.307	-0.096	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@@H]2C2CC2)CC1	2014006135	JKSRZUDMWFSGJE-UWVGGRQHSA-N	239.319	-0.398	50	10	BBGE	
O=C(NCC=CB(O)O)c1cc(O)cc(O)c1	2020067283	FUSUZXQVKOMKBQ-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](Cn2cc(F)cn2)O1	2021030642	UQSMLBUTZPNRFG-DTWKUNHWSA-N	242.254	-0.050	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(OCCCO)C1	2026045321	QEVQDBLYCBDGRA-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
Cc1cn(Cc2cncc(C(=O)NN)c2)c(O)n1	2027479622	IOFLTTPZJMISOS-UHFFFAOYSA-N	247.258	-0.056	50	10	BBGE	
OB(O)c1ccc(OCCN2CC3CC2C3)cc1	2034314784	WYXVHTIDZMHEKT-UHFFFAOYSA-N	247.103	-0.161	50	10	BBGE	
CCc1c(OC)cc(C=O)cc1B(O)O	2060165391	VNVORULAYWMZGZ-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCc1cc(OC)c(C=O)c(B(O)O)c1	2060167549	RVTINIAUOURCBW-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccccc1B(O)O	2079008391	IYUWJZMQOKWSHQ-PWSUYJOCSA-N	245.087	-0.105	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccc(B(O)O)cc1	2079009196	FLPVMEIBKFIPTA-UHFFFAOYSA-N	245.087	-0.150	50	10	BBGE	
CON(Cc1nscc1B(O)O)C1CCC1	2211135786	LTWMUIJGWYKJKM-UHFFFAOYSA-N	242.109	-0.261	50	10	BBGE	
OB(O)c1ccnc(Sc2ncc[nH]2)c1F	2212598848	BDAUGVDZNAPAID-UHFFFAOYSA-N	239.040	-0.225	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)Nc1ncc(B(O)O)cn1	2212601758	SLHMCMJUQVAXEY-ZXFLCMHBSA-N	221.069	-0.387	50	10	BBGE	
OB(O)c1ccnc(NCc2cn[nH]c2)c1	2212602143	ZDFXAOAEHMWIFT-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
CC[C@H](O)CCNc1ncccc1B(O)O	2212615700	SSSSPMCZGSXJPU-QMMMGPOBSA-N	224.069	-0.666	50	10	BBGE	
Cc1nc(OC[C@]2(F)C[C@@H]2C)ncc1B(O)O	2214487433	ANQLBRCTNFDATG-QUBYGPBYSA-N	240.043	-0.408	50	10	BBGE	
CN1CCCN(C[C@H]2CC[C@@H]2C(=O)NN)C1=O	2215773945	VCQAVSGVERBJFZ-BDAKNGLRSA-N	240.307	-0.240	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2216703018	FGSRSTNURAGIFC-LSJOCFKGSA-N	241.335	-0.437	50	10	BBGE	
CCCc1cnn(-c2cc(B(O)O)ccn2)c1	2217169711	JYRGVPPMQJAGGP-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
OB(O)c1ccc(NCc2ncccn2)nc1	2217173271	PTXCBTZOPKZJJS-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
COC[C@H](C)CCOc1cc(B(O)O)ccn1	2217186642	MTCTXKDVOLGEMK-SECBINFHSA-N	239.080	-0.187	50	10	BBGE	
C[C@@H](C[C@@H](C)CN)Oc1cc(B(O)O)ccn1	2217189415	CXWLWOSGLTUEKK-BDAKNGLRSA-N	238.096	-0.486	50	10	BBGE	
CC1(C)[C@@H](Nc2ncc(B(O)O)cn2)C1(F)F	2217200129	IDTXLLNJFBKCAV-ZCFIWIBFSA-N	243.022	-0.388	50	10	BBGE	
OCC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	2220058661	MRCWZWRJWBPKFU-LLVKDONJSA-N	249.119	-0.429	50	10	BBGE	
CCc1ncc(CNc2ncc(B(O)O)cn2)o1	2223635172	TXOVMPAXVJKULG-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)CC[C@@H]1N	2223636811	BAGLXHLCLVPUCA-JTQLQIEISA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CC[C@@H]3C[C@H]3C2)[nH]c1	2223671946	CBBHQNJHJXHYBY-OPRDCNLKSA-N	247.107	-0.574	50	10	BBGE	
CC1(C)[C@@H](Nc2cc(B(O)O)ccn2)C[C@H]1CN	2223679745	UCXWZVAUWDQNIY-WPRPVWTQSA-N	249.123	-0.453	50	10	BBGE	
C#CCN(C)S(=O)(=O)N1CC(Cl)C1	2241338777	REBQDOPFBYYVCA-UHFFFAOYSA-N	222.697	-0.281	50	10	BBGE	
CSCCCNC(=O)[C@H]1C[C@H]1B(O)O	2241495514	JWCLBHMISFELQO-NKWVEPMBSA-N	217.099	-0.281	50	10	BBGE	
O[C@@H](CCl)CN1C[C@@H]2C[C@H](C1)[C@@H]2O	2241815927	SQKPMRRLECXRRN-UYXSQOIJSA-N	205.685	-0.101	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ccsc1B(O)O	2243359159	PPLFERVZFYBWSA-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1csc(B(O)O)c1	2243361780	HDOUOMOZGZEZBI-RNFRBKRXSA-N	237.089	-0.434	50	10	BBGE	
C[C@H](O)[C@H]1C[C@@H]1NC(=O)C1(B(O)O)CCC1	2243363283	DGYAECXPTVVPHK-RNJXMRFFSA-N	227.069	-0.731	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)cs1	2243385354	HECCVIGQMCEFAX-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
Cc1ncsc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243397153	WOYQXVKLGJEGSS-BQBZGAKWSA-N	240.093	-0.069	50	10	BBGE	
CN(CC1(N)CC1)C(=O)C1CC(B(O)O)C1	2243414313	YDKRAXPCEITIOX-UHFFFAOYSA-N	226.085	-0.811	50	10	BBGE	
C=C(C)CONC(=O)c1sncc1B(O)O	2243415562	XQPBHSRVHSQOLA-UHFFFAOYSA-N	242.065	-0.940	50	10	BBGE	
N#CCC1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2243426434	IFAWFFAHBBCRQQ-SFYZADRCSA-N	222.053	-0.341	50	10	BBGE	
C[C@H]1CCS[C@@H]1C(=O)NCCC#CB(O)O	2244549182	ZETFMRRQNYCVLG-IUCAKERBSA-N	241.121	-0.350	50	10	BBGE	
C=CC[C@]1(CO)CCCN1[C@H](C)C(=O)NN	2244836600	HWVHPTBQAYELIT-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)[C@@H]2C[C@@H]2C)n1	2247230780	LMHZPXOJJZDNGY-IONNQARKSA-N	236.080	-0.385	50	10	BBGE	
N#Cc1c(F)cccc1NC(=O)C#CB(O)O	2247740113	GHBOTBPDXYSLMS-UHFFFAOYSA-N	231.979	-0.349	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C1(F)CC1	2247740114	GHCMOIIXDODHOC-LURJTMIESA-N	241.027	-0.420	50	10	BBGE	
CO[C@@H]1CCC[C@@H](CNC(=O)C#CB(O)O)C1	2247741543	BIWOFJHSVZCWKY-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC(F)CC1	2247742138	LAPKCZZWTOHMIC-UHFFFAOYSA-N	241.027	-0.467	50	10	BBGE	
C[C@H]1C[C@H](F)CN1C(=O)c1ccc(B(O)O)o1	2247748011	WJIOMLAAKLBCEF-BQBZGAKWSA-N	241.027	-0.468	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247758286	YVWOLFQUTGXYDL-RKDXNWHRSA-N	241.096	-0.075	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1n[nH]cc1B(O)O	2247781340	KDSWJFDJGZROIN-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2B(O)O)C1	2247782424	UQQCHAXYTMMSRJ-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247787542	QJQUAUHNOFBPJR-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1CCCNC1)[C@H]1C[C@H](B(O)O)C1	2247791795	OOIUYENHRPTWLT-OPRDCNLKSA-N	240.112	-0.645	50	10	BBGE	
CCC[C@@](C)(CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247792219	RDTQOOKAORXDDZ-QXEWZRGKSA-N	243.112	-0.093	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247799156	ADOOKQVCVRSIQJ-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CN(CCn1cccc1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800614	QRNDMFSPVSINRV-ZJUUUORDSA-N	236.080	-0.191	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247804506	GZXKISPCURBJQE-AUXWQGHOSA-N	240.112	-0.646	50	10	BBGE	
CO[C@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807012	GXYVBOHDEJFFQP-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1ccc(B(O)O)o1	2247842746	ZJLSRIIZPBYSSR-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC[C@H]1CC1(F)F)c1cc(B(O)O)c[nH]1	2247848866	RJPOMRPJYDJXNF-RXMQYKEDSA-N	244.006	-0.921	50	10	BBGE	
CC1(C)C[C@H](O)CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247859030	JTPMMVQCOKGDNL-XHNCKOQMSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)C1(C)CC1	2247868755	XWYPNFWLXTYNLP-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC=C1CN(C(=O)c2cc(C)c(B(O)O)o2)C1	2247876929	YZZVCEMWQABBPO-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
O=C(NCCc1cn[nH]c1)C1(B(O)O)CCC1	2247876993	AFCBDYZHOKTCGX-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247886678	FDYRURUIMKMDRU-XSPKLOCKSA-N	245.059	-0.565	50	10	BBGE	
C[C@@H]1CC[C@H](CN)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887421	OCFFCWLUAIMIQC-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]1C2	2247894567	IGFOUSBIEQQFLH-HOTMZDKISA-N	239.080	-0.779	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC=CC1	2247976020	OCULPFWDXCXKKC-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
CN(CC(C)(C)C(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2248586590	CYPKEPLUZVAPGB-NKWVEPMBSA-N	243.068	-0.582	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1COC2(CCC2)C1	2248789911	ZFRRDVOESKCFMQ-SECBINFHSA-N	239.080	-0.370	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@H]2C[C@H]2C1	2250000890	OYZZCJBUDQCFLY-AXFHLTTASA-N	235.092	-0.056	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2O[C@H]3CC[C@H]2C3)n1	2254479753	RDTPAVCSFPJEQL-IUCAKERBSA-N	249.079	-0.554	50	10	BBGE	
C=CC(C)(C)NC(=O)c1nccc(C)c1B(O)O	2255784584	GMDFXSCCGQZWFT-UHFFFAOYSA-N	248.091	-0.236	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2O)[C@@H]1C	2255953563	KOSNTBJAVDZYSF-HTQZYQBOSA-N	249.075	-0.448	50	10	BBGE	
Cc1ncnc(C(=O)NCCC#CB(O)O)c1C	2258957147	LCWBAVOCWMSYDJ-UHFFFAOYSA-N	247.063	-0.771	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1Cc2ccccc21	2258958946	ZPLWCPOABAQTEW-LBPRGKRZSA-N	243.071	-0.152	50	10	BBGE	
O=C(CCl)N1[C@H]2CC[C@@H]1[C@@H](O)[C@@H](O)C2	2297233212	FKPRSSMHZXVWCN-VOQBNFLRSA-N	219.668	-0.290	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1B(O)O	2298369211	MRKALPWWGDESSX-RYPBNFRJSA-N	237.064	-0.366	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC[C@@H]1N	2298369922	JALGCCALPBWEQK-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2COCC[C@@H]21	2298371108	AEEXXYKWBBKPQI-JLIMGVALSA-N	239.080	-0.513	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298375647	UFAFTTDMFHIODS-GRDBIXFFSA-N	238.096	-0.813	50	10	BBGE	
CC(C)(C)[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298376347	SWZHDPUHHONWCM-HLTSFMKQSA-N	243.112	-0.380	50	10	BBGE	
C#CC#CCNc1ccc(B(O)O)cc1C#N	2301342185	WEUHOBKWAOHEGY-UHFFFAOYSA-N	224.028	-0.713	50	10	BBGE	
CC[C@](C)(CN1CCN(OC)CC1)C(=O)NN	2303421800	ZSBFCOWEXYCFFB-LLVKDONJSA-N	244.339	-0.428	50	10	BBGE	
COC[C@H](C)COc1cc(B(O)O)c(F)cn1	2303860502	GVGNNDHIVHTXBY-ZETCQYMHSA-N	243.043	-0.438	50	10	BBGE	
CC[C@@H](O)CCNc1ccc(B(O)O)cc1C#N	2317166829	ZVAMQHFBZIDBGJ-LLVKDONJSA-N	248.091	-0.189	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@H]1CCN1	2317216701	QAQSYFSYUSQOED-GZMMTYOYSA-N	246.075	-0.633	50	10	BBGE	
O=Cc1ccc(N2CCCOCC2)cc1B(O)O	2317312001	ZGUOHGNYZKPTKZ-UHFFFAOYSA-N	249.075	-0.594	50	10	BBGE	
C[C@@H]1[C@H](N)CCN1c1ccc(C=O)c(B(O)O)c1	2317312713	LKRSRRIIKSEFML-PRHODGIISA-N	248.091	-0.895	50	10	BBGE	
C[C@H](Cl)C(=O)c1cn(C)c(=O)n(C)c1=O	20431119	DGVRLKKVGUQRCM-YFKPBYRVSA-N	230.651	-0.106	50	10	BBGE	
COCCNC(=O)CNC(=O)CCCCl	41707376	LCBWATMOXBKTEK-UHFFFAOYSA-N	236.699	-0.116	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)CCCl	45085318	UDWOPSGUABELNW-UHFFFAOYSA-N	228.701	-0.590	50	10	BBGE	
COc1ccc(C(=O)NNC(=O)[C@H](C)N)cc1	49828525	JTNIRUNGHYCZDY-ZETCQYMHSA-N	237.259	-0.197	50	10	BBGE	
CNC(=O)C1=CNC2=C(C=O)CC[C@H](C)N2C1=O	82312118	ZTALTMXSASSYNJ-ZETCQYMHSA-N	249.270	-0.359	50	10	BBGE	
O=C(NNC(=O)c1c[nH]nn1)c1cscn1	104650056	KDMJOOGHJIYALB-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
CCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	167563413	DEFVYNIQASSFCI-RITPCOANSA-N	240.712	-0.290	50	10	BBGE	
C#C[C@H]1CC[C@H](C(N)=O)N1C(=O)CCl	205053487	PCXNOANKBYOEIH-NKWVEPMBSA-N	214.652	-0.297	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC(C)(C)C	232419978	TUHQJYPMIRPBNO-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
C[C@H](CN1CC[C@](C)(O)C1)C(=O)NN	300035434	ZGWLMVVQHCEFJI-APPZFPTMSA-N	201.270	-0.931	50	10	BBGE	
CC(C)c1nn(C)cc1NC(=O)C(=O)NN	300889612	DDASRDIUBBOPSX-UHFFFAOYSA-N	225.252	-0.528	50	10	BBGE	
C[C@@H]1[C@]2(CCS1(=O)=O)CC(=O)OC2=O	306834006	QMGSQQDXMDDHGL-XRGYYRRGSA-N	218.230	-0.347	50	10	BBGE	
Nc1cc(N)c2c(B(O)O)csc2c1	307185278	HSVXDIPZCZBSFE-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COCCCOc1ccc(B(O)O)cn1	308968828	OCYLEXNEUDBIIP-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
CS(=O)(=O)C[C@@H]1CCCN(C(=O)NN)C1	308997363	QETJXNHXGNVFNY-SSDOTTSWSA-N	235.309	-0.674	50	10	BBGE	
CCCN(CC(C)C)C(=O)C(=O)NN	379527679	HDUOFZLMBHEUAQ-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
CC(=O)NC1CN(CCC(C)(C)C(=O)NN)C1	388232466	YJVJVLKSFXBSOD-UHFFFAOYSA-N	242.323	-0.787	50	10	BBGE	
COc1cccc(CCC#N)c1B(O)O	396034488	UQBSPCZZAMDNEG-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
N#CCCc1c(B(O)O)cccc1C(=O)O	396131725	FPXNDXGFIOYGNZ-UHFFFAOYSA-N	219.005	-0.479	50	10	BBGE	
Nc1cc2scc(CO)c2cc1B(O)O	396246571	OUKPIMXCPUNPNF-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@@H]1CCOC1	398920175	LEPPFAMNGVTUQV-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C(=O)[C@@H]1C	399516531	MNXLUCOCRVFSFV-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)[S@@](C)=O	404877212	KSWQDGCCAAPXIE-CQSZACIVSA-N	233.123	-0.847	50	10	BBGE	
C[C@@H](NC(=O)CBr)[C@@H](O)CO	698872607	LIKABDCTLCRUPU-UHNVWZDZSA-N	226.070	-0.761	50	10	BBGE	
O=S(=O)(CCCC(F)(F)F)NCB(O)O	701941886	AKGPRLBTFONIBJ-UHFFFAOYSA-N	249.019	-0.740	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702300292	JWMDYQUOXHRAJZ-RKDXNWHRSA-N	212.297	-0.855	50	10	BBGE	
CCOC[C@@H]1CCCN1[C@H](C)C(=O)NN	702799024	YHJHAZHDVALLNP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CN(N)C(=O)c1ccc(S(=O)(=O)N(C)C)o1	704635986	UPAFFAMABVIMDD-UHFFFAOYSA-N	247.276	-0.524	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1ccns1	705441637	IAJWUJYVNBYFLV-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]2C1	718259120	JHKDAVFRHZFZTJ-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CNC[C@H](O)C1	722410939	XUOKYRMWUKARTQ-XLPZGREQSA-N	220.700	-0.300	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)C1=NNC(=O)C1	732284431	PYUAGHBLUCOHEI-UHFFFAOYSA-N	240.263	-0.554	50	10	BBGE	
CN1C[C@@H](C(=O)NN(C)C2CC2)NC1=O	854983373	DABKJTVDROWLKY-ZETCQYMHSA-N	212.253	-0.865	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)CO)C1CCCC1	857170304	NLYQQPVOXSRILJ-VIFPVBQESA-N	230.264	-0.669	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)NC(C)C	865041558	AJUJOEHFNUPGEC-SNAWJCMRSA-N	215.253	-0.072	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)Cc1ccccn1	865171336	KNCOPIWHGVEQBA-GQCTYLIASA-N	249.270	-0.026	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)COC1CC1	907626103	KXNOBPOVYRPFOK-UHFFFAOYSA-N	216.237	-0.916	50	10	BBGE	
CC(=O)CCCC(=O)NNC(=O)c1ncon1	1472179086	LBYMAQAZOWOROM-UHFFFAOYSA-N	240.219	-0.410	50	10	BBGE	
O=C(CO)NNC(=O)CCn1cc(Cl)cn1	1638521909	CXRBLELFFASZOY-UHFFFAOYSA-N	246.654	-0.934	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)c1cncnc1	1643024721	PWMWLFVNUUSQGL-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
O=C(O)CN(CC(=O)O)NC(=O)C1CCC1	1858081263	AYDDTXNHMOAHIM-UHFFFAOYSA-N	230.220	-0.711	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1Br	1877333993	IQJQCPBKTBZWIG-PBXRRBTRSA-N	247.092	-0.226	50	10	BBGE	
CC(C)(C)OC(=O)NC1CN(CC(=O)NN)C1	1880022329	BAWJSZINFDJYBO-UHFFFAOYSA-N	244.295	-0.815	50	10	BBGE	
NCC(CN)NC(=O)[C@H]1C[C@@H]1Br	1881353344	FVUMBLJMENUJNI-WDSKDSINSA-N	236.113	-0.828	50	10	BBGE	
C=C(Cl)CO[C@H](COC)C(=O)NN	1882110208	GWYZUKNTYFHIOD-ZCFIWIBFSA-N	208.645	-0.240	50	10	BBGE	
NS(=O)(=O)c1n[nH]c([C@@H]2C[C@@H]2Cl)n1	1883635271	VAUQDZBGRAMPHE-GBXIJSLDSA-N	222.657	-0.453	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(C(=O)F)C2)N1	1887187414	BEHYSUIEODYKSL-BYPYZUCNSA-N	201.157	-0.784	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@@H](B(O)O)C1	1891517970	VLMMMOXAJKRKNF-FSDSQADBSA-N	217.461	-0.311	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@H]1C[C@@H](O)CN1	1893127255	GTDXZGKDQKHULZ-FKSUSPILSA-N	218.684	-0.547	50	10	BBGE	
CN1C(=O)C[C@H](NC[C@H]2C[C@@H]2Cl)C1=O	1893127860	KPEAJBNKSBPPCH-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CCSC1=O	1893838083	QODWSGZNTDEWQA-RXMQYKEDSA-N	231.277	-0.160	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCO2)cc1F	1901306489	AIAMHTANTUTJOH-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NN(C)S(=O)(=O)C2CC2)N1	1901348219	DWNJPJTVPIGDIO-POYBYMJQSA-N	247.320	-0.808	50	10	BBGE	
CO[C@H](C)COc1cc(B(O)O)c(F)cn1	1903021170	QRCNOLKBFZZXBJ-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1	1905933998	RHWMMEBXZJQHBF-GMSGAONNSA-N	243.263	-0.794	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H](C)[C@@H](F)C1	1907080929	QKSBRMVYFGYWMK-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1COC[C@H]1OC	1907703770	FRZKHMDBPTYEPM-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H]1CC(=O)N(C[C@@H](C)C(=O)NN)C1	1912237146	OXVWFIBYLVZCMW-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
CC(C)n1ccnc1CN(C)CC(=O)NN	1913372830	RQVKGJNMMWHIHJ-UHFFFAOYSA-N	225.296	-0.114	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-]	1923195760	KTVRXCCDHCSWOK-PWNYCUMCSA-N	241.125	-0.639	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936091339	LXMGLGRFUZZMKA-LPEHRKFASA-N	227.308	-0.419	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1C[C@@H]1C[C@H]1C(=O)NN	1941089240	UYMVRWOJQWITEO-MMWGEVLESA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)COCCN1CCC[C@]12CCOC2	1941784610	OLLHMMZKIQACFN-LLVKDONJSA-N	243.307	-0.752	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083437	KSRCHVGSHKCUKF-GARJFASQSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC(C)(C)CC1	1943968437	IYZARAMQCINQBU-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC(N2CCC2)C1	1946876119	KOPMVMGGYSECSQ-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)[C@H](O)C1	1954505968	KYNVEEZDOWVKJQ-RRKCRQDMSA-N	207.657	-0.432	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1CCCl	1954820511	JCGQMABCDNJHJX-ZETCQYMHSA-N	206.673	-0.328	50	10	BBGE	
CN(C)NC(=O)[C@@H]1COCC(C)(C)N1	1956620097	CNOKEGRXHNUDDG-ZETCQYMHSA-N	201.270	-0.654	50	10	BBGE	
CO[C@@H]1CCC[C@H](NC(=O)C(=O)NN)C1	1958955105	BVFRCKVVKIVDTR-NKWVEPMBSA-N	215.253	-0.950	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@H](O)C1	1960249801	WRFAGFPIUNSIAK-BDAKNGLRSA-N	213.281	-0.622	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC=C(CO)CC1	1961392228	VKHVKSARVZKVHW-QMMMGPOBSA-N	213.281	-0.621	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@H]2CC[C@H]12	1961655591	WWHQHQSTVUUUCC-CSMHCCOUSA-N	211.265	-0.329	50	10	BBGE	
COC[C@@H](C)Oc1ncccc1B(O)O	1961712690	NSXISPGRFWIUBV-SSDOTTSWSA-N	211.026	-0.825	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CCO[C@H]1C(N)=O	1962375378	DCGMPTQITKOBRD-SHYZEUOFSA-N	234.683	-0.237	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CC2CC1C2	1964995914	IRPKKMNWAWVLBH-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2[C@H](O)C[C@H]21	1975086631	GKLDUTQLLYBNGH-DJLDLDEBSA-N	213.281	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]12CC[S@](=O)C2	1975992026	FYZKABHVVGKIQR-DRGRQASISA-N	245.348	-0.648	50	10	BBGE	
NNC(=O)CN1C[C@@H](CO)[C@@H](C(F)(F)F)C1	1977994597	UGPWVFJSGNXBNE-WDSKDSINSA-N	241.213	-0.921	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(CCO2)C1	1981146143	URGLMJLSVUFQDD-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OCC2CC2)n1	1981422412	OFTKQLVYJCZIGV-UHFFFAOYSA-N	222.053	-0.438	50	10	BBGE	
CC(C)CCCOc1ncc(B(O)O)cn1	1981431369	YJLJTZCUOIGZGP-UHFFFAOYSA-N	224.069	-0.029	50	10	BBGE	
OB(O)c1ccc(Sc2cnccn2)nc1	1981455361	ZTAMFRHHCFWZBM-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CCCN(CCOC)c1nc(B(O)O)cs1	1981472384	QBZJBIXWZHEXMH-UHFFFAOYSA-N	244.125	-0.314	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1985470130	JNZGCHGWNCDCFX-KGDYZURWSA-N	227.308	-0.829	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCS1	1990774638	LOHROFMPDNVMIH-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC(CO)(CO)C1	1991703833	LHTOPXAUHLICHL-OWOJBTEDSA-N	247.678	-0.489	50	10	BBGE	
Cc1cc([C@H]2CCCN2C(=O)C(=O)NN)no1	2004445266	AGGSJMYMPSXADJ-MRVPVSSYSA-N	238.247	-0.364	50	10	BBGE	
CCCCCOc1ncc(B(O)O)c(OC)n1	2004925105	LWFSFQZSXQGGMD-UHFFFAOYSA-N	240.068	-0.266	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)C[C@H](CC(=O)O)O1	2009301897	OKEIVBQRIMMYSA-SFYZADRCSA-N	245.279	-0.263	50	10	BBGE	
CCc1ccn(-c2nc(C)ccc2B(O)O)n1	2012154046	NFTYACRIEVUAAH-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2CCO[C@@H]2C1	2012776577	WHKUGORQTUEMLP-LNFKQOIKSA-N	239.319	-0.277	50	10	BBGE	
CN1CCC[C@H](Oc2ccncc2B(O)O)C1	2021067622	HMINKRDLJJUBOT-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1ccccc1B(O)O	2022196084	GLMCIMWTJVQAFB-VROVMSAKSA-N	233.076	-0.249	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1ccccc1B(O)O	2022196193	IQIQODICMLXGLJ-YUMQZZPRSA-N	231.060	-0.495	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	2070104035	ZMJQEQOBQCWMEQ-ILWJIGKKSA-N	247.107	-0.219	50	10	BBGE	
O=C(OCCl)N1CCN2C(=O)COC[C@H]2C1	2211718446	QVPFIKLQWUKXSN-SSDOTTSWSA-N	248.666	-0.138	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCCC[C@]2(CO)C1	2212372144	IXCPUTGIXQAGEW-MWLCHTKSSA-N	227.308	-0.539	50	10	BBGE	
Cc1cnc(SC(C)(C)CO)cc1B(O)O	2212600033	RIQRRGXIAKDOLT-UHFFFAOYSA-N	241.121	-0.067	50	10	BBGE	
Cc1cnc(OCC2(F)CC2)cc1B(O)O	2212604390	PEJHWUKBDLVFJZ-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
N[C@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)C1	2217175165	FLEIFLZCIFZGIP-SCZZXKLOSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@@H](F)C2)[nH]c1	2217176910	BWBNTNLETCTCKT-IONNQARKSA-N	239.059	-0.872	50	10	BBGE	
COCC[C@H](C)Nc1nccc(B(O)O)c1F	2217181437	PXXMVEYGMRHJBR-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
CN[C@H]1C[C@@H](Oc2cc(B(O)O)c(C)cn2)C1	2217182552	FBMIMHIBEZQUAI-DTORHVGOSA-N	236.080	-0.801	50	10	BBGE	
Cc1cnc(O[C@H](C)[C@H]2CCN2)cc1B(O)O	2217184743	VWPKYESFZVFKKG-PSASIEDQSA-N	236.080	-0.801	50	10	BBGE	
CCCOC1CN(c2cc(B(O)O)ccn2)C1	2217200992	BUUBDQYKNJZBTB-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC1(C)C[C@H](N)CN1Cc1cccc(B(O)O)c1	2220053565	IBGPLIZLHKSNPE-LBPRGKRZSA-N	248.135	-0.322	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ncccc2B(O)O)CCN1C	2223632287	HUKNBYKCIAWIQF-ZJUUUORDSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2CNCC[C@H]21	2223650174	IZHZNGGCQZQQLN-FXPVBKGRSA-N	248.091	-0.862	50	10	BBGE	
C[C@@H]1CCN1C(=O)Nc1ncc(B(O)O)s1	2242811539	XHWLRNMJYCQPAQ-RXMQYKEDSA-N	241.081	-0.551	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC(F)(F)C1	2243347762	PMEFFYGKBONBDV-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
CC(C)[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)C1	2243356504	IOJIGHHGGSDKIW-NXEZZACHSA-N	223.081	-0.057	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)C#CB(O)O)C1	2243356935	OWGLRKYJCRZFLU-UHFFFAOYSA-N	225.053	-0.972	50	10	BBGE	
O=C(N[C@@]12CCOC[C@H]1C2)C1(B(O)O)CC1	2243366233	ZCOWBKVUUBBCFB-GMSGAONNSA-N	225.053	-0.711	50	10	BBGE	
Cc1cc(C(=O)NCC(F)F)oc1B(O)O	2243377700	FNPGFMUPRRNCAT-UHFFFAOYSA-N	232.979	-0.737	50	10	BBGE	
CC1(C)COCN1C(=O)C1CC(B(O)O)C1	2243396588	OCYZANSRARNFHQ-UHFFFAOYSA-N	227.069	-0.166	50	10	BBGE	
O=C(NCCN1CCC1)C1CC(B(O)O)C1	2243396894	SGNHEWROWNSCKG-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@@H]1C1CC1	2243404883	VZKLZOIZBUAPMJ-VHSXEESVSA-N	221.065	-0.446	50	10	BBGE	
CN(CCCF)C(=O)c1ccsc1B(O)O	2243408066	GKTLTPXLGPLINF-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CN1	2243426150	FMJVLWBMSDKWFO-RYPBNFRJSA-N	226.085	-0.894	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1O[C@H]2C=C[C@H]1C2	2243426173	FMYOWDIHORTNHK-JBDRJPRFSA-N	223.037	-0.290	50	10	BBGE	
C=CCN(CC(=O)O)C(=O)C1(B(O)O)CC1	2243753278	RUHFCRAEVNHOKG-UHFFFAOYSA-N	227.025	-0.907	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2243753628	XDYKKKNTAVLDRB-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
C#CCCOC[C@@H]1CCC[C@H](C(=O)NN)O1	2243938556	PXAVVNMKKTWQJT-VHSXEESVSA-N	226.276	-0.046	50	10	BBGE	
C[C@@H](CN(C[C@@H](C)O)C1CCC1)C(=O)NN	2244881654	IUZAITUFPUIJBO-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)c1cnn(C)c1	2247738479	QSOFSDZNYMOQND-UHFFFAOYSA-N	237.068	-0.220	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CCC2)[nH]1	2247738907	WELJERRHMIXHKC-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)o2)[C@@H]1C	2247742257	MOVIQJAISZGPKV-PRJMDXOYSA-N	237.064	-0.266	50	10	BBGE	
CC(C)(F)[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247748213	ZKNMNDUZBWJVKJ-SECBINFHSA-N	241.071	-0.012	50	10	BBGE	
O=C(N[C@@H]1CNC[C@@H](F)C1)C1(B(O)O)CCC1	2247758078	SOCRCIZMAFOXKA-YUMQZZPRSA-N	244.075	-0.800	50	10	BBGE	
CC(C)N(C)C(=O)c1cc(F)ccc1B(O)O	2247759330	OUSBSVNHGQDPLW-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccc(F)cc1B(O)O	2247759766	WIPWYQUAFINWLQ-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)cn1C	2247762696	GLFZUEKGJSEZEH-VXNVDRBHSA-N	236.080	-0.767	50	10	BBGE	
CCC[C@H](CO)CNC(=O)C1CC(B(O)O)C1	2247797297	IIFFIWHDFCYJTO-IDKOKCKLSA-N	243.112	-0.236	50	10	BBGE	
Cc1nnccc1NC(=O)C1CC(B(O)O)C1	2247797619	LLJMJJIFZNTVJQ-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
O=C(NCCn1ccnc1)C1CC(B(O)O)C1	2247799341	CAOPSTYUFKFPSF-UHFFFAOYSA-N	237.068	-0.748	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2[nH]ncc12	2247848489	MOHNHZSGYSMWFU-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2247859845	QEZWADFDFSVDMD-AATLWQCWSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2coc(B(O)O)c2)C1	2247872790	YKGFZUVSDPMYSB-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H](C2)[C@@H]1CO)C1(B(O)O)CC1	2247874101	ONTUZOJNPWGDCE-CIUDSAMLSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C(=O)C2(B(O)O)CCC2)C1	2247877883	FWYBPBBVXOALEV-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
CC(C)N(CC(C)(C)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2247886454	BSGLLBOQTSVYFJ-BDAKNGLRSA-N	243.112	-0.143	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCNCC12CC2	2247897321	QRYDIPYVMUSZMI-KYZUINATSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@@H]21)[C@@H]1C[C@@H]1B(O)O	2247899494	NPFSNRPJQRIVMB-MBXMOIHESA-N	239.080	-0.610	50	10	BBGE	
CC#CC(=O)Nc1cc(C)c(B(O)O)cc1C	2248415048	UGPDSHYINYIGPP-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1c1cc(B(O)O)ccn1	2248741346	NNEQJRZFRJCQLS-SCZZXKLOSA-N	232.092	-0.004	50	10	BBGE	
Cc1ccnc(O[C@H]2C=CCOC2)c1B(O)O	2249278918	PKRLHSLIGWPKGC-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
C=CCN(OC)C(=O)c1cc(C)c(B(O)O)o1	2249511301	NCMCSEQYBDEBPE-UHFFFAOYSA-N	239.036	-0.543	50	10	BBGE	
C=CCC(=O)NCc1ccc(C)c(B(O)O)c1	2253233218	JXVXOPBBMDHKMP-UHFFFAOYSA-N	233.076	-0.133	50	10	BBGE	
COc1ccc(B(O)O)c(N2O[C@H]3C=C[C@H]2C3)n1	2254589496	QUNQNEVRFASISH-YUMQZZPRSA-N	248.047	-0.781	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ncncc1B(O)O	2255509519	RIFRLTAZLCLWFW-SECBINFHSA-N	249.079	-0.973	50	10	BBGE	
CN(CC1CC=CC1)C(=O)c1cc(B(O)O)c[nH]1	2255673947	VFLVIKCQQFIISO-UHFFFAOYSA-N	248.091	-0.267	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(F)ccc1B(O)O	2255727356	OIHBFVRGPSDHGH-UHFFFAOYSA-N	249.050	-0.399	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)c1ccncc1	2255734180	WYPYTCNLSOYTME-UHFFFAOYSA-N	246.031	-0.369	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1[C@@H](C)[C@H]1C	2257492260	UBSQCMHNUUXLAV-VROVMSAKSA-N	248.091	-0.546	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298375641	TYSNYCQZUXZYLD-LURQLKTLSA-N	240.112	-0.661	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377270	KMHQOWJRIIPGFC-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
N[C@H]1CC[C@@H]1Oc1ccc(C=O)c(B(O)O)c1	2301423409	RYXHOUYGBGYIBA-QWRGUYRKSA-N	235.048	-0.953	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2302020940	UTTSYDKIKKEPQJ-JFGNBEQYSA-N	241.335	-0.008	50	10	BBGE	
O=C(c1ccc(CO)o1)N1CC[C@H](B(O)O)C1	2303101560	LAUCNWBHDKGKQQ-ZETCQYMHSA-N	239.036	-0.539	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)CN2CCCC2)C1	2303111571	KNDFCCCMPBPMEU-LLVKDONJSA-N	240.112	-0.452	50	10	BBGE	
C[C@H]1C(CN=c2cc(B(O)O)c(F)c[nH]2)[C@@H]1C	2303835162	RQVNVPZVSLOODM-RNFRBKRXSA-N	238.071	-0.364	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCC[C@H]1N	2317151153	NNXZTABOCCNOIH-PWSUYJOCSA-N	246.075	-0.503	50	10	BBGE	
CCCN(CCO)C[C@H](C)C(=O)NN	58852923	SVHZZFHQYWNDLO-QMMMGPOBSA-N	203.286	-0.683	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(=O)N1CCCC1	110586997	FQJOOZHCDRKZQA-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CC[C@@H](C)OCC(=O)NNC(=O)c1c[nH]nn1	126535576	QOOCVMYMBXMBIK-ZCFIWIBFSA-N	241.251	-0.619	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@@H]1CO	227215029	FSPFEALSQFIVPC-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
CCN(CCCN(C)C)[C@H](COC)C(=O)NN	232420911	MADRMFBISUFBJB-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
COc1ccc2cnccc2c1B(O)O	238377579	XQGOKQRRLXABOY-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300237949	GPQGKITXVKVDSX-ONGXEEELSA-N	229.324	-0.008	50	10	BBGE	
CN(CCCO)CC(C)(C)C(=O)NN	300850495	SOXXIAKTBLNRBU-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
CC(C)(CN1CCC[C@@H]1CCO)C(=O)NN	304497096	DJWXFTQEYWLSLS-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O)C(=O)NN	305961639	FLHVIICBYUTJCU-HVXHNJHYSA-N	239.319	-0.687	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	307311085	ITJOPNDSEUGOLS-LYFYHCNISA-N	201.295	-0.446	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@](C)(CN)C1	310336153	BJCDAYIBUGTGOQ-CKYFFXLPSA-N	242.367	-0.082	50	10	BBGE	
CCNC(=S)NNC(=O)CN(C)C	379359640	ZHBAKZQNPIKKDH-UHFFFAOYSA-N	204.299	-0.937	50	10	BBGE	
OB(O)c1cc(F)cc(C2CCNCC2)c1	381071498	OMAHMHZLNGCCCE-UHFFFAOYSA-N	223.056	-0.028	50	10	BBGE	
COC(=O)[C@H](Br)CN1CC(O)C1	384037417	DZIAJRQYJDHTKB-ZCFIWIBFSA-N	238.081	-0.401	50	10	BBGE	
NNC(=O)c1coc(CO[C@@H]2CCOC2)n1	386939775	HEYJUOMRWQHDAE-ZCFIWIBFSA-N	227.220	-0.416	50	10	BBGE	
CC(C)(/C=C\C#N)[C@H](O)C[C@@H](O)C(N)=O	389516563	STLIVLFQHMYSKM-PYWFFMSPSA-N	212.249	-0.310	50	10	BBGE	
Cc1ncn(CCC(=O)NN)c(=O)c1C	395522951	JTPHKWDZJTUSTQ-UHFFFAOYSA-N	210.237	-0.760	50	10	BBGE	
Nc1cccc2sc(B(O)O)c(C(=O)O)c12	396238460	IEVQAQLJSXRHOE-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCc1nnn(C)n1	398072035	KFWOKNVVVBRYOB-SCSAIBSYSA-N	246.658	-0.837	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](C)C[C@@H](CO)C1	398640454	AMQWLVQBGZTHBX-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)C1CC1	404999517	IZKAAGIWSKYKEP-UHFFFAOYSA-N	235.048	-0.277	50	10	BBGE	
CC(C)OCC(=O)Nc1ccccc1B(O)O	405009430	SCUXOCXPOLACKS-UHFFFAOYSA-N	237.064	-0.270	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1	584939742	MOWIHIAXXOPPLI-GMSGAONNSA-N	219.049	-0.495	50	10	BBGE	
CC[C@H]1C[C@@H](N2CC(=O)OC(=O)C2)CO1	688490667	WRRABQWPRUBDBY-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
CN(Cc1cn(C)nn1)C(=O)NC(=O)CCl	689221008	YHUXJRYKDMYRNU-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@](C)(CO)C1	694723079	BZJLMQWUOSOKKZ-GZMMTYOYSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H]1C(C)(C)O	707559585	VYBGXIMVHXLSOT-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[S@](=O)N1CCCc2cc(B(O)O)ccc21	712216423	HNVYUSXMHAKPCJ-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)c1ccccc1	714405024	UVOHYLJGNRHVKS-SECBINFHSA-N	223.276	-0.136	50	10	BBGE	
NC(=O)[C@@H]1CCN1c1nnc(CCCl)o1	757151982	YBZFHLLIDYZICC-YFKPBYRVSA-N	230.655	-0.085	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)C2CC2)n1	792015083	UFKLWVMWTBAHSJ-UHFFFAOYSA-N	220.232	-0.044	50	10	BBGE	
Cc1nc2ccc(C(=O)NNC(=O)CO)cc2o1	792659182	ZOXMBQXXMIMZSJ-UHFFFAOYSA-N	249.226	-0.110	50	10	BBGE	
C[C@@H](CF)NC(=O)NNC(=O)[C@H]1COCCO1	814308275	JNCZPBUVYJIYIY-NKWVEPMBSA-N	249.242	-0.910	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CC(=O)N(C)N1	953096162	KEPICJVBIPJEID-WDSKDSINSA-N	219.672	-0.535	50	10	BBGE	
N#CSCCCNC(=O)CCNC(=O)CO	1139152132	WGXODQAVOHKJTC-UHFFFAOYSA-N	245.304	-0.794	50	10	BBGE	
CCO[C@H](C(=O)NNC(C)=O)[C@@H]1CCOC1	1261845868	QQZZDINTWVRUSN-BDAKNGLRSA-N	230.264	-0.405	50	10	BBGE	
COC(=O)NNC(=O)[C@H](C)n1cnc(C#N)n1	1321164871	ONDKXHGXRAEXGE-YFKPBYRVSA-N	238.207	-0.902	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1457736226	WINBMFYIXALILP-DTWKUNHWSA-N	235.243	-0.675	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1	1471951012	BIXOAMFXCDVEBC-NJTBQHJWSA-N	240.259	-0.569	50	10	BBGE	
Cc1nc(C)c(C(=O)NNC(=O)c2cnn[nH]2)[nH]1	1627298625	XKJWHDKFODCAJT-UHFFFAOYSA-N	249.234	-0.781	50	10	BBGE	
CS(=O)(=O)NNC(=O)COc1ccccc1	1858079814	VTHVYFFPDFFWLK-UHFFFAOYSA-N	244.272	-0.354	50	10	BBGE	
COC(=O)NCCCNS(=O)(=O)CCl	1875638645	IXVRJKDDESIUCE-UHFFFAOYSA-N	244.700	-0.152	50	10	BBGE	
CN(N)C(=O)CNC(=O)OC(C)(C)C	1879933779	HRVRCXXRUIAGQH-UHFFFAOYSA-N	203.242	-0.157	50	10	BBGE	
CN(N)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C	1880063490	GOBUCVNUSARCRJ-ZETCQYMHSA-N	247.295	-0.548	50	10	BBGE	
NC(=O)NCC1CN(CCBr)C1	1881029275	QIZSFSZWHTVRDW-UHFFFAOYSA-N	236.113	-0.019	50	10	BBGE	
C[C@H]1CNC(=O)CN1C[C@@H](Cl)C#N	1882314651	CEZZSEGWFVSDHJ-BQBZGAKWSA-N	201.657	-0.062	50	10	BBGE	
CN(C)NC(=O)c1cnc(NN)s1	1882496355	UKKGETJLJHVZAH-UHFFFAOYSA-N	201.255	-0.365	50	10	BBGE	
NCC[C@H](O)C(=O)NC1CC(Cl)C1	1882599691	VPZMDOBKSNAVGD-AHXFUIDQSA-N	206.673	-0.418	50	10	BBGE	
O=C(NCC[C@H](O)CO)[C@H]1C[C@H]1Cl	1883637861	BKKSSTPYAFXWAH-LYFYHCNISA-N	207.657	-0.527	50	10	BBGE	
O=S(=O)(CCCCl)NCC(CO)CO	1885365273	MUNQASQBSVJFPX-UHFFFAOYSA-N	245.728	-0.865	50	10	BBGE	
NC1CC(O)(CNC(=O)[C@H]2C[C@H]2Cl)C1	1893446712	QDBBLIBWIONIIL-ANOPUHLUSA-N	218.684	-0.418	50	10	BBGE	
C[C@H]1C(CN(C)CCOCC(=O)NN)[C@@H]1C	1895729878	OVSCCIUKKBQUCE-RKDXNWHRSA-N	229.324	-0.173	50	10	BBGE	
CC1(C)[C@@H](O)CN1CCCC(=O)NN	1900686753	PMYOSWWQDAVRIM-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
CN1CCC[C@@H](CN2CC[C@@H](B(O)O)C2)C1	1902528149	FHLWKWLFIBBUGN-GHMZBOCLSA-N	226.129	-0.123	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C)CN(C)C	1904685173	LOOFKRVDODRGQR-MRVPVSSYSA-N	230.312	-0.964	50	10	BBGE	
CCCS(=O)(=O)N(C)CCCC(=O)NN	1913469249	QKUVACMQCRPLST-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
COC[C@@H](N=[S@](C)(=O)C(C)C)C(=O)NN	1913903158	FCANRTTVGOAZBB-KWKYVRJSSA-N	237.325	-0.503	50	10	BBGE	
CN(C)CCNCC(=O)N1CC=C(C#N)CC1	1917080939	SIHOQUALNLEOCU-UHFFFAOYSA-N	236.319	-0.180	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@](F)(CO)C1	1917101558	WJOSFHJKRQSDSC-XKSSXDPKSA-N	231.271	-0.981	50	10	BBGE	
CN(C)[C@H]1COC[C@H]1NC(=O)CCl	1922089407	PBYXWOGOMNEULD-RQJHMYQMSA-N	206.673	-0.330	50	10	BBGE	
CC(C)N(CCO)C[C@H]1C[C@@H]1C(=O)NN	1927914782	YDCLRSVPXXPOGQ-BDAKNGLRSA-N	215.297	-0.685	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2C[C@@H]2C1	1928181621	OXPPTBVPFAMEGQ-DTWKUNHWSA-N	213.281	-0.665	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(F)C1	1930278108	RNHFPQHVBSTZKF-ZCFIWIBFSA-N	205.233	-0.965	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)C(F)(F)C1	1931821302	DFSXWMHZQAYAKB-WDSKDSINSA-N	223.223	-0.933	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1935772088	OLQQACYVXGLYEA-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1CCC(=O)CC1	1941990255	WUAGIVUCMGWSJT-UHFFFAOYSA-N	241.291	-0.403	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC12CCCN1CCC2	1949284556	HHDNGVLGFZXJKQ-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
CC(=O)N[C@H](C=CC#N)CS(C)(=O)=O	1951464698	LSTZSNORIFVGLA-MRVPVSSYSA-N	216.262	-0.385	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@](C)(O)CO	1954506515	NGQCZBFVZHNUCK-SVRRBLITSA-N	209.673	-0.137	50	10	BBGE	
O=C(NCCCl)[C@@H]1Cc2nncn2C1	1956501005	BMFCARLMNNTWGW-ZCFIWIBFSA-N	214.656	-0.195	50	10	BBGE	
O=C1CN(CCCCl)CCN1CCO	1956862064	MGZMSZHKXMZATO-UHFFFAOYSA-N	220.700	-0.248	50	10	BBGE	
C[C@@]1(NC(=O)C(=O)NN)C[C@H]1C(F)(F)F	1958198549	GUWGHHKLGUPIDD-AWFVSMACSA-N	225.170	-0.567	50	10	BBGE	
NNC(=O)CCCN1CCOC2(CC2)C1	1960945504	UQTYETYHHWTYQB-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
O=S(=O)(CBr)NCC1(O)CC1	1970558332	UKURWUTXIBJSKY-UHFFFAOYSA-N	244.110	-0.217	50	10	BBGE	
O=C(CCn1cnnn1)NCC=CCCl	1974750070	DAWHWTQIGFUMBG-UHFFFAOYSA-N	229.671	-0.026	50	10	BBGE	
O=C(C[C@@H]1CCC[C@H]2C[C@@H]12)NCB(O)O	1974881095	PHJKDXZLUUOSFO-XHNCKOQMSA-N	211.070	-0.059	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(C2CC2)C1	1978057495	LMXXMQRZEXJEBI-SECBINFHSA-N	227.308	-0.277	50	10	BBGE	
CNC(=O)CN(CC=CCCl)CC(=O)NC	1978822045	OCABJPFMORKXAT-UHFFFAOYSA-N	247.726	-0.425	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)CC12CC2)C(=O)NN	1980718096	DIEOMIFLURAWKY-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CCC[C@H]1CCN1c1ncc(B(O)O)cn1	1981410205	XBYXUWZZMJHJPW-VIFPVBQESA-N	221.069	-0.465	50	10	BBGE	
CSC1CN(c2ncc(B(O)O)c(C)n2)C1	1981445313	GRYBOUUSHLDARZ-UHFFFAOYSA-N	239.109	-0.984	50	10	BBGE	
NC(=O)N[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991703614	JDAWYCLMXGWFEX-IPWVHJGXSA-N	245.666	-0.423	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1991704071	OQDDJLDCQPBEFR-WYPMVRDXSA-N	245.662	-0.740	50	10	BBGE	
CCON(C)C(=O)c1cccc(B(O)O)c1	1992836660	POKSBUZBTVOZIK-UHFFFAOYSA-N	223.037	-0.610	50	10	BBGE	
CC[C@@H]1C[C@@H]1COc1ncc(B(O)O)cn1	1993081891	XOICWQGCBGRQLK-HTQZYQBOSA-N	222.053	-0.419	50	10	BBGE	
CON(CC1(C(=O)NN)CC1)C1CCOCC1	2000671099	UPNOVGZZFJQRDF-UHFFFAOYSA-N	243.307	-0.201	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](CN(C)C)C1	2003922205	IIVXIRZEMNQFMC-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)[C@H](C)[C@@H]1C	2004911624	JFXWCPROWQEUJM-IWSPIJDZSA-N	235.096	-0.363	50	10	BBGE	
OB(O)c1ccc(N2CC3CC2(CF)C3)nc1	2004918463	MFMYBFPTIDPNBB-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC[C@@H](C3)C2)nc1	2004918552	NCCIAIMHYUPUPT-IUCAKERBSA-N	233.080	-0.607	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@H]2CCC[C@H]21	2004918872	QZYMMDAQMTWPJX-IAZYJMLFSA-N	232.092	-0.004	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CO[C@H](C)C2)n1	2004928722	FTASWNSMXXYPAQ-RKDXNWHRSA-N	237.064	-0.374	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)CCO1	2004935520	OQAIYCCBJFOLMD-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
COC[C@@]1(C)CCN1c1ccncc1B(O)O	2007185250	NDMHLCPBVOQAED-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2cnccc2=O)C1	2010833357	QXEISUJZWBCDRV-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
COCc1nccn1-c1ccc(B(O)O)cn1	2011262436	RMUNGHNKJKRAPQ-UHFFFAOYSA-N	233.036	-0.907	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)CC(=O)NN)nn1C	2011840837	VPTZFCMLDIGGIX-QMMMGPOBSA-N	239.323	-0.071	50	10	BBGE	
OB(O)c1ccn(CCCOCC2CCC2)n1	2012718914	PUNLAVPXVMEZMP-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
COC[C@H](OC[C@@H](C)N1CCCC1)C(=O)NN	2013809594	QOIDNNJCULTJRY-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H]1C1(O)CC1	2013927112	NIDGPNUFMSHZDX-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)CC(=O)NNC(C)=O	2019210161	MAUOJYTVFUKECH-VHSXEESVSA-N	243.307	-0.490	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)C1(C)CC1	2022199299	CKBGIZPNUGPFOJ-UHFFFAOYSA-N	233.076	-0.009	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1ccnc(B(O)O)c1	2025664920	YWESECYKPHTDTP-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@]12CCC[C@@H]1C2	2040766523	FRXPVVRTEVGIQU-HQJQHLMTSA-N	247.063	-0.715	50	10	BBGE	
CN(C[C@H]1CCCN1C)c1ccncc1B(O)O	2052499384	RZWUZGYZWXICKL-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
Cc1cc(N2CC(C)(N(C)C)C2)ncc1B(O)O	2052619110	AQGZBFPWLZGRGK-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1ncc[nH]1	2077801849	KMEYZFUIGOPJMC-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#CC1(F)CN(C(=O)c2ccccc2B(O)O)C1	2079012432	UCERBWJESWPXON-UHFFFAOYSA-N	247.034	-0.836	50	10	BBGE	
OB(O)c1ccccc1COC[C@@H]1[C@H]2COC[C@H]21	2080346909	ONPHQHMCKWITKW-CNDDSTCGSA-N	248.087	-0.225	50	10	BBGE	
O=C(C[C@H]1CC12CC2)Nc1cccc(B(O)O)n1	2086425169	QFANIYOCVVTBGH-QMMMGPOBSA-N	246.075	-0.110	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@]12CNC[C@H]1C2	2210021409	OMJBNISMPNKXCP-ZKBBVYBXSA-N	214.652	-0.214	50	10	BBGE	
CN(C)C(=O)CSC[C@H]1CC[C@@H]1C(=O)NN	2211838099	CDIMGMKLJBAKNN-SFYZADRCSA-N	245.348	-0.176	50	10	BBGE	
C[C@H](CN)SCC1(C(=O)NN)CCOCC1	2212448897	SYQMQQXZTGITEG-MRVPVSSYSA-N	247.364	-0.147	50	10	BBGE	
CC1(CNc2ncc(B(O)O)cn2)CSC1	2212610980	SGCCZAHKYNASGB-UHFFFAOYSA-N	239.109	-0.679	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCOC2)c1F	2217189609	GNZSNUCFNFXDFB-ZETCQYMHSA-N	241.027	-0.542	50	10	BBGE	
C[C@H](N)CCCOc1nccc(B(O)O)c1F	2217193529	VGDQUMQHWSDVCA-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(Cc2cccc(B(O)O)c2)C1	2220061162	AXZMCROZERRIBQ-MFKMUULPSA-N	248.135	-0.465	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@H]1N(Cc1cccc(B(O)O)c1)C2	2220069165	YULCPOIVFWTZBC-CYZMBNFOSA-N	247.103	-0.821	50	10	BBGE	
CC1(C)C[C@H](N)CN(c2ccc(B(O)O)cn2)C1	2223635073	RZICFPYBXOENCD-JTQLQIEISA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCNC3(CC3)C2)c1	2223654969	UWBLLHRKCBWEIN-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
OCc1ccccc1Oc1ncc(B(O)O)cn1	2223656562	ORISEPDZVPJTQJ-UHFFFAOYSA-N	246.031	-0.559	50	10	BBGE	
C[C@@H]1CC(NC(=O)C#CB(O)O)C[C@@H](C)C1	2243357404	WJZCHPIFBOUBCW-IUCAKERBSA-N	223.081	-0.057	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)C1(B(O)O)CC1	2243365734	REJHOZKFDCYUML-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1N	2243396923	SNQAJSKUHIPNMK-KRTGUUSXSA-N	226.085	-0.955	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2[C@H](C1)C2(F)F	2243400715	GWIGPESHNMUEBZ-BQBZGAKWSA-N	228.991	-0.885	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CCF	2243408876	WWMIABOGOUZVBH-UHFFFAOYSA-N	229.016	-0.691	50	10	BBGE	
NCC1(NC(=O)C2(B(O)O)CC2)CCCC1	2243409829	PQPZYVRCFTWPCC-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C=C(CS(=O)(=O)N(C)[C@H](C)C(C)C)B(O)O	2243412654	QTJKNDDFKLYGQN-SECBINFHSA-N	249.141	-0.139	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(CCO)C1CC1	2243413236	BVZUQEZORMNJAA-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420609	WEXHQBBVUXIBKK-VGMNWLOBSA-N	222.053	-0.389	50	10	BBGE	
N[C@H](B(O)O)c1ccc(-n2ccnc2)cc1	2243553887	DSTVKFPSMGLXOR-JTQLQIEISA-N	217.037	-0.116	50	10	BBGE	
C=CCN(OC)C(=O)c1coc(B(O)O)c1	2244271590	FVJHJMYLRLHEOZ-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
CCN(c1nc(OC)ccc1B(O)O)C1CC1	2247153345	UIZJIICQRSCMFX-UHFFFAOYSA-N	236.080	-0.241	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)OCO2	2247741759	FKOQAICVDIFGKV-UHFFFAOYSA-N	232.988	-0.631	50	10	BBGE	
CCN(C)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247751395	XDTLTLLJJSIHOT-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H](CN)C1	2247755037	ILGGULISHJTFOH-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H](N)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247759230	YYLYIKGZUJOIPB-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)cn1	2247760721	MOLVENLIUCAUNL-SECBINFHSA-N	232.048	-0.790	50	10	BBGE	
CC[C@@H]1CCN1C(=O)c1ncccc1B(O)O	2247761459	VKHBYVZPGYIVCI-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
O=C(NCCC(F)F)c1ccc(B(O)O)cn1	2247769205	FZSVHKHDOZBSQP-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
O=C1[C@H]2CC[C@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787190	LZIILFPTCUURJP-MAUMQABQSA-N	237.064	-0.366	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788114	ZMBUEBPERNEDCR-CKEKPRIKSA-N	241.096	-0.077	50	10	BBGE	
CC(C)C[C@H](CO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247803241	ADGRLWYLLGVTOC-GUBZILKMSA-N	243.112	-0.380	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247810365	WUUMUDBZUHNSEA-SEZDTBSWSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2coc(B(O)O)c2)[C@H]1C	2247857492	VKRNBVQIQABSMJ-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ccoc2B(O)O)C1	2247867888	ABUPBWOZPLBAIF-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
CCN(CCC#N)C(=O)c1coc(B(O)O)c1	2247872411	RJIRNFCCWZYKJF-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)[C@H](C2CC2)C1	2247887152	KVEVQGPMWJARFW-XFWSIPNHSA-N	239.080	-0.921	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247895379	ROSRACZWYJLKSE-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ccccc1B(O)O	2248479184	PWZKOUOWDZCHHO-SECBINFHSA-N	231.060	-0.036	50	10	BBGE	
CC(C)(CCC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248574701	UPMJJDIEQOYPFG-NKWVEPMBSA-N	243.068	-0.391	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1ccc(B(O)O)cn1	2248692481	NRJXHQLJPXPYPZ-WCBMZHEXSA-N	232.092	-0.004	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CC2COC2)n1	2248988030	XHRSKLQTOCITBX-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
CC1CC(C)(NC(=O)c2cc(B(O)O)co2)C1	2249406542	FGQBUVHEXARXOD-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1ccoc1B(O)O	2255464843	BQMNYOLVYAALNH-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
Cc1ncccc1NC(=O)c1ccoc1B(O)O	2255467531	ONNPKZKREDWZKV-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1ccc(B(O)O)cn1	2255515882	DDXRQGJIMOJZSR-QPUJVOFHSA-N	246.075	-0.566	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1CNCC2	2255671639	UXANQSWMJRBEAR-UHFFFAOYSA-N	244.059	-0.714	50	10	BBGE	
N[C@@H](CNC(=O)[C@H]1C[C@H]1B(O)O)c1ccccc1	2255770469	QHBUGIJMNJVMOF-AXFHLTTASA-N	248.091	-0.335	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N[C@@H]1[C@H]2CC[C@H]21	2255917081	KQNRHWTYAREWOC-URLYPYJESA-N	246.075	-0.104	50	10	BBGE	
CCC=C(C)C(=O)Nc1ncc(B(O)O)c(C)n1	2256602480	YXOJJQXKXCQLGL-UHFFFAOYSA-N	249.079	-0.240	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC[C@@H]2[C@@H](O)C[C@@H]21	2298166508	SESYBWLCVNDDDK-NMUGVGKYSA-N	239.319	-0.542	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCOC1	2298369369	RVQXOVYWVVEHFI-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298371354	JJPLDXGLOGZLGF-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
NCC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375742	YCETUPUBXAIJCN-RGOKHQFPSA-N	240.112	-0.517	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@H]1CCO1	2302411382	WFEIOTXDTRXISE-SNVBAGLBSA-N	236.080	-0.705	50	10	BBGE	
CC(C)N1CC(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2302833961	RKVKKKRYPWMBKA-VHSXEESVSA-N	240.112	-0.694	50	10	BBGE	
CCO[C@@]1(CN2CC[C@@H](B(O)O)C2)CCOC1	2303096403	FGGMRQBHTPXKIF-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
O=C(O)[C@H]1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	2303113393	BOOVMOUMPRZRBG-GJMOJQLCSA-N	241.052	-0.828	50	10	BBGE	
CC[C@](C)(CN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	2303441607	ZGANFFVXXXBFED-PTZCXBDSSA-N	239.275	-0.603	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1C[C@H]2C[C@H]1CO2	2317150623	HINMBRPYJVOHBA-WDEREUQCSA-N	244.059	-0.784	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H](CN)C1CC1	2317168501	VMSWSNAXANQVNQ-GFCCVEGCSA-N	245.091	-0.613	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(c1ncccc1B(O)O)C2	2317386005	SOLKAVOEECLTGR-HLUHBDAQSA-N	248.091	-0.889	50	10	BBGE	
N#CC1=CCN(c2cc(B(O)O)c(F)cn2)CC1	2320792879	LSIOMFWCOAFGBP-UHFFFAOYSA-N	247.038	-0.439	50	10	BBGE	
NNC(=O)c1nnc2ccccc2c1N	39169136	ZLBUZOLBMNIJIA-UHFFFAOYSA-N	203.205	-0.185	50	10	BBGE	
CC(C)(C)C(=O)N1CCN(C(=O)NN)CC1	71533694	NHNDBUQKHQQIQW-UHFFFAOYSA-N	228.296	-0.240	50	10	BBGE	
CC(C)[C@@H](O[C@H]1CCOC1)C(=O)NN	82465455	AQPZSANXAMUULM-JGVFFNPUSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)CCCCN1CCCC[C@@H]1CO	82470389	WSNWTVMLZDEGCL-SNVBAGLBSA-N	229.324	-0.007	50	10	BBGE	
CC[C@H]1C(=O)NCCN1CC(C)(C)C(=O)NN	93728103	GFXOZVJDVASDFR-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CC1C[C@H]2C(=O)N(CCC(=O)NN)C(=O)[C@@H]2C1	160138864	GJRZQAAKWVASCM-HTQZYQBOSA-N	239.275	-0.603	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)[C@@H](C)C(=O)NN	161677994	MBIHZBTYRGNRPW-FXQIFTODSA-N	201.270	-0.526	50	10	BBGE	
C[C@H](Oc1ccc(Cl)cc1B(O)O)C(=O)O	203611736	VHXJHZHXSLZJFI-YFKPBYRVSA-N	244.439	-0.128	50	10	BBGE	
CS[C@@H]1CCC[C@H](NC(=O)C(=O)NN)C1	235223691	DLLYIMFBXBWXEF-NKWVEPMBSA-N	231.321	-0.233	50	10	BBGE	
NC1=NC(=O)N[C@H](O)[C@H]1Br	238613832	FGHMPDBCSLWBFT-BIZFKFMOSA-N	208.015	-0.851	50	10	BBGE	
OB(O)c1ccnc(Br)c1O	238629777	NPLAHKNULZCQIU-UHFFFAOYSA-N	217.815	-0.771	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCC[C@H]1C(N)=O	251502583	HSAUJGBUPHRNEO-YUMQZZPRSA-N	228.296	-0.905	50	10	BBGE	
COc1ccc(C[C@@H](N)C(=O)NN)cc1F	259028337	QZPXZRRWFYJFJZ-MRVPVSSYSA-N	227.239	-0.306	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@H]1CSC(=O)N1	274514851	OBOGCTLHSOFQGC-RXMQYKEDSA-N	246.292	-0.496	50	10	BBGE	
O=C1O[C@H]2[C@@H]3[C@@H]1[C@H]3[C@@H](O)[C@H]2Br	307297835	SUTMOCMMWLPLHZ-NTNHSIQDSA-N	219.034	-0.088	50	10	BBGE	
CN(C)NC(=O)C(=O)Nc1ccccc1N	309186020	JFGMPXGRXSBJPD-UHFFFAOYSA-N	222.248	-0.200	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1[C@H](C)C(=O)NN	309811313	WNRKQWOKTZFDRN-YIZRAAEISA-N	214.313	-0.611	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)[C@@H](CO)C1	316477000	JIVZQLJMSASYSW-RNFRBKRXSA-N	207.657	-0.573	50	10	BBGE	
Nc1cc(B(O)O)c(OC(F)(F)F)cc1F	321730141	SREITMBNXFOAID-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Cn1nnnc1CNC(=O)NC(=O)CCCl	389383348	NAFBDEFQDRVENV-UHFFFAOYSA-N	246.658	-0.835	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1[C@H](C)C(=O)NN	389457220	ZDXZSKMWDRYMFI-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCS(=O)CC1	395709490	MZAVOTPUFFVLRO-MRVPVSSYSA-N	247.364	-0.545	50	10	BBGE	
O=C(CCl)Cc1ccc(B(O)O)cc1O	396022583	MYRRZDSAGPOJHW-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
Nc1ccc2c(C=O)csc2c1B(O)O	396276213	QFXKXVDXFFYJLY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CN(CC[S@@](C)=O)CC(C)(C)C(=O)NN	399875748	CREZDWSPGANVBS-OAHLLOKOSA-N	235.353	-0.687	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(CCF)CC1	402754549	BVSDBQXTWAMTFU-VIFPVBQESA-N	232.303	-0.658	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ccco1	405029628	MJSVTAOASSJHOJ-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@]12COC[C@@H]1C2	689291537	ZTLMGYWZYOJELD-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CCN(CCCC(=O)NN)C(C)(C)CO	690905240	XMBAIIILSZRZGW-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
C[C@@H](O)CN(CCO)C(=O)OCCl	692854739	ZXBRKVPMEVXWBN-ZCFIWIBFSA-N	211.645	-0.006	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721777655	MUZYHSYNWDNXOO-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
O=C(CO)NNC(=O)CCc1ccccn1	753440527	SWYHRVUXGUQOJX-UHFFFAOYSA-N	223.232	-0.846	50	10	BBGE	
O=C(CO)NNC(=O)c1cnc2cnccc2c1	799102568	HTCWYMOQULUDRQ-UHFFFAOYSA-N	246.226	-0.617	50	10	BBGE	
Cc1c[nH]nc1C=NNC(=O)[C@@H]1COCCO1	814860948	MORJTBQTNPSOTK-VIFPVBQESA-N	238.247	-0.416	50	10	BBGE	
CCC(C)(C)[C@H](C)NC(=O)C(=O)NN	829122837	GTIFNIZAKBLTGA-LURJTMIESA-N	201.270	-0.083	50	10	BBGE	
CN(NC(=O)c1ccc2c(c1)COB2O)C1CC1	863885004	TYBMPQWWNFMQFW-UHFFFAOYSA-N	246.075	-0.357	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)Cc1ccccn1	1116103841	QFVJXZBVKSVWAS-MRVPVSSYSA-N	232.243	-0.069	50	10	BBGE	
OB(O)c1cscc1CN1[C@H]2COC[C@H]1C2	1231947067	IGWRVYUGUNNIJA-RKDXNWHRSA-N	239.105	-0.599	50	10	BBGE	
C#Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1	1306509187	GKNDUJQLQSPLAR-UHFFFAOYSA-N	245.282	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CCSc1n[nH]c(C)n1	1623586008	DDBPOYMJPPSITQ-UHFFFAOYSA-N	243.292	-0.237	50	10	BBGE	
CCN(CCO)NC(=O)C[C@H]1COC(=O)C1	1640011602	YCRXUUXOKZPXHB-MRVPVSSYSA-N	230.264	-0.715	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)c1ccnnc1	1643024726	PYVPRDXORKNMFU-QMMMGPOBSA-N	238.247	-0.337	50	10	BBGE	
NOCCNC(=O)[C@H]1C[C@H]1Br	1880433352	FIIYOQDIZJZFNS-CRCLSJGQSA-N	223.070	-0.224	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNCC1	1883626894	MUYZWBZLNKRRRB-UHFFFAOYSA-N	202.641	-0.260	50	10	BBGE	
CN(CCC(=O)NN)CP(C)(C)=O	1883763135	HUNDZUVCCLAUTF-UHFFFAOYSA-N	207.214	-0.122	50	10	BBGE	
O=S(=O)(NC[C@@H](Cl)CF)c1nc[nH]n1	1885225536	FMPCYIDHFINOLD-BYPYZUCNSA-N	242.663	-0.340	50	10	BBGE	
CC[C@H](CN1CC[C@H](B(O)O)C1)OC	1891493746	XNKHEKGQKVAKCH-DTWKUNHWSA-N	201.075	-0.040	50	10	BBGE	
C[C@@H](CN(C)C)N(C)[C@@H](C)C(=O)NN	1893428494	AGGWNRKINQQUHZ-YUMQZZPRSA-N	202.302	-0.753	50	10	BBGE	
O=C(N1CCOC[C@@H](F)C1)C1(B(O)O)CC1	1900107989	SHFKBXOPFGBWAL-ZETCQYMHSA-N	231.032	-0.810	50	10	BBGE	
CCON(C)c1ccc(C=O)c(B(O)O)c1	1901248553	ITSKMRHLPSPYGT-UHFFFAOYSA-N	223.037	-0.433	50	10	BBGE	
CC1CC(CN)(C(=O)NN(C)S(C)(=O)=O)C1	1901348393	IKZCTERREMSOOF-UHFFFAOYSA-N	249.336	-0.716	50	10	BBGE	
CN(NC(=O)C1(O)CC1)S(=O)(=O)C1CCC1	1901665380	HWCKBOIAYSHAMJ-UHFFFAOYSA-N	248.304	-0.643	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H](O)[C@H](F)C1	1901756869	LISFMCNCUDQMCR-IWSPIJDZSA-N	233.287	-0.450	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)[C@@H](O)[C@@H]1CF	1905009475	NMRFIPIWKXYTCF-ZLUOBGJFSA-N	227.619	-0.305	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1CO	1906338451	QWBHCVYQEZHDTI-CHWFTXMASA-N	241.335	-0.437	50	10	BBGE	
C[C@H](CN1CC[C@]12CCOC2)C(=O)NN	1915573631	RWSXBLMKBBLCID-PSASIEDQSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C1(CN2CCOCC23CC3)CC1	1915593079	ZWKRHRKCDYTVJT-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
C[C@@]1(Br)C[C@@H]1C(=O)NCB(O)O	1923746625	KNVLNEVPMPRKMC-INEUFUBQSA-N	235.874	-0.712	50	10	BBGE	
CCOC(=O)CSCCOCC(=O)NN	1928181295	LXQCWJNFEDCCEQ-UHFFFAOYSA-N	236.293	-0.711	50	10	BBGE	
CC(C)[C@H](C)N(C)CCOCC(=O)NN	1928183081	NEXGOUCGKXZAAM-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
Cc1nscc1C(=O)NNC(N)=S	1930566929	XPRCZXOYDPFXLA-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NN)[C@H]1C	1934286548	ILDLZICPORODKN-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
Cn1ncc([C@@H]2CS(=O)(=O)C[C@@H]2Cl)n1	1934429115	XBIZJAVBWSWOEA-RITPCOANSA-N	235.696	-0.066	50	10	BBGE	
Cc1cccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1936084632	UOSXKSOESJPSPU-BDAKNGLRSA-N	221.260	-0.217	50	10	BBGE	
CCOCCCN(C)CCOCC(=O)NN	1936529449	LJFNTPGQKVFNOC-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
COCCN1C[C@H](Cl)[C@@H](c2nnnn2C)C1	1939853450	IJGYHHDWIUIKCU-YUMQZZPRSA-N	245.714	-0.137	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941088990	SRWOCNYPEYVVJO-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
CCOC[C@H]1CCCN1CCOCC(=O)NN	1941776665	TWLBDRXGQZDDPS-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1C(N)=O	1942614806	ARPMUAGISWVVKB-IWSPIJDZSA-N	242.323	-0.659	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@H]2CN)CC1	1951191320	HKITTZMAMMWRTE-VHSXEESVSA-N	237.303	-0.152	50	10	BBGE	
O=C1COc2ccc(B(O)O)c(Cl)c2N1	1951320319	GOBQNLPNZLLEBW-UHFFFAOYSA-N	227.412	-0.649	50	10	BBGE	
CC(=O)N[C@@H](CCl)CS(C)(=O)=O	1951358258	VXJYSHDSXIABOV-LURJTMIESA-N	213.686	-0.226	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1COCCC1(F)F	1957693752	MCUYBYQBGPWZLJ-BYPYZUCNSA-N	239.247	-0.477	50	10	BBGE	
COc1ccc2c(c1)CC[C@]2(N)B(O)O	1959816224	ZEZFMFBHSLPNDA-SNVBAGLBSA-N	207.038	-0.193	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	1961405529	BDUYKJYETDUULM-NQMVMOMDSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1ccc(N2CC(F)(F)C2)nc1	1961682218	YCUBMJQQHYTURN-UHFFFAOYSA-N	213.980	-0.783	50	10	BBGE	
Cn1cnc(S(=O)(=O)NCC#CCCl)c1	1974769880	BSFHXKTWTQUYSV-UHFFFAOYSA-N	247.707	-0.059	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1ncncc1B(O)O	1981413048	ASEGOJCEHKFKRI-ZETCQYMHSA-N	221.069	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2[C@H](O)C[C@H]21	1984032077	CZZMRYDQRGZQKN-JDDHQFAOSA-N	225.292	-0.933	50	10	BBGE	
CCNC(=O)NCCNC(=O)/C=C/C(=O)Cl	1991712786	KYJWVBIWNPHWMQ-ONEGZZNKSA-N	247.682	-0.257	50	10	BBGE	
C=C(CN(C)CC1CCN(C)CC1)B(O)O	1992159631	NPILRPFQLGJNGK-UHFFFAOYSA-N	226.129	-0.172	50	10	BBGE	
C=C(CN1C[C@@H](C)N(CC)[C@H](C)C1)B(O)O	1992160390	WEUBCHHJNQWWPV-GHMZBOCLSA-N	226.129	-0.031	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1C[C@H]1C1CCOCC1	1992972246	VLSFUHKANXWIHN-YUMQZZPRSA-N	227.264	-0.251	50	10	BBGE	
C[C@H](N(C)c1ncncc1B(O)O)C1(C)CC1	2004916609	NIVKIJDFBHUTFS-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
CC(=O)NNC(=O)COC1CC(CC(=O)O)C1	2006450584	LGXZUZBHQHICMN-UHFFFAOYSA-N	244.247	-0.576	50	10	BBGE	
CN(C[C@H]1[C@H]2OCC[C@H]12)CC1(C(=O)NN)CC1	2007574285	PGDYMNWOLFVPFE-BBBLOLIVSA-N	239.319	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)CC(O)C2	2013330999	XKBLSSLCMJNBFS-JTQLQIEISA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@@]1(C)CC(=O)N1CCOCC(=O)NN	2016608068	VRDDKDBOAVXLFN-LLVKDONJSA-N	243.307	-0.360	50	10	BBGE	
CCc1ccnc(C(=O)NCC=CB(O)O)c1	2020068913	WFUHYUQBSTWZND-UHFFFAOYSA-N	234.064	-0.058	50	10	BBGE	
COC[C@H](OCC(C)(C)CN(C)C)C(=O)NN	2021404580	RIGPIEGCVHAJAL-VIFPVBQESA-N	247.339	-0.404	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1C[C@@H]1C1CC1	2040766666	HHTNUOVUSVLHQI-BDAKNGLRSA-N	247.063	-0.859	50	10	BBGE	
CN(C[C@@H]1CCCN1C)c1ncccc1B(O)O	2052491641	MEYJXKLATNDBTO-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(N(C)C[C@]2(C)C[C@H]2C)ncc1B(O)O	2052552204	PIHMWDUTDOOIDU-PELKAZGASA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(N2C[C@@]3(C)C[C@H]2CO3)ncc1B(O)O	2052620643	WMZALQYOXXBIBP-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
Cc1nc(N2CCOC3(CC3)C2)ccc1B(O)O	2052626635	DNNCAQJAKACGML-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1[C@H]2CCCC[C@H]21	2058161191	RWHDQTJFUGEPIK-JGPRNRPPSA-N	247.103	-0.036	50	10	BBGE	
O=Cc1cc(B(O)O)c([N+](=O)[O-])cc1F	2060059941	QGVVDYNFUIODIL-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1ccc(B(O)O)c(C#N)c1[N+](=O)[O-]	2060206151	PSPPCKSINUIEAE-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2Cc1ccc(B(O)O)cc1	2067432151	CMTZDXZCJYFTIK-BETUJISGSA-N	246.119	-0.745	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2071236670	NTXVKKVGXFVPGO-UDENJMGSSA-N	245.087	-0.570	50	10	BBGE	
COCCOCCOCC(=O)N=C=O	2209754038	VTTMTQAMQQLBDM-UHFFFAOYSA-N	203.194	-0.472	50	10	BBGE	
C#C[C@@H]1COCCN1S(=O)(=O)CCCl	2209894144	XTQSKNMULDIKQE-MRVPVSSYSA-N	237.708	-0.111	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@@H]1C(=O)NN	2211827117	AKZUEFPBUJITRS-IMSYWVGJSA-N	227.308	-0.542	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1CC(O)C1	2211827637	KMPIAKBZPSIYQR-SEZDTBSWSA-N	227.308	-0.542	50	10	BBGE	
CC[C@@H](CCN)Oc1ncccc1B(O)O	2212606390	STXAWHLYQRZYEE-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
CC[C@@H]1CC[C@@H]1Nc1ncc(B(O)O)cn1	2212613626	XPSPXSNDVPJJKN-APPZFPTMSA-N	221.069	-0.243	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1CN(C)C2	2213954922	OBWRORCTYDECPI-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
CCN1CC[C@@H](Oc2ccncc2B(O)O)C1	2216508763	RHMXYWGIELBZAZ-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
COc1ccnc(CN2CC(=O)OC(=O)C2)c1	2216842765	RYKIEYSZBZTYEX-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2ccc(B(O)O)cn2)O1	2217174479	ZROAXUCVOWGNDZ-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
CC[C@H](O)CN(CC)c1ccc(B(O)O)cn1	2217181041	XINKEZKYTQYJHW-JTQLQIEISA-N	238.096	-0.641	50	10	BBGE	
CNC(C)(C)CCOc1ncccc1B(O)O	2217185971	DXEHTSXQUAJPGV-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
CC[C@H](CCO)CN=c1ccc(B(O)O)c[nH]1	2217196470	GBWAWTKZXYZSFI-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCC(F)(F)F)c1	2217198109	WRMSFILJLWLZSB-UHFFFAOYSA-N	248.013	-0.062	50	10	BBGE	
CC[C@@H](O)[C@@H](CC)Nc1cc(B(O)O)ccn1	2217198987	IYKXLUAIVZAKJG-NXEZZACHSA-N	238.096	-0.277	50	10	BBGE	
Cc1ocnc1CNc1ncc(B(O)O)cn1	2217201163	CKNWVZCLGVGDLR-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1(CO)CCC1	2220071592	KZBXVJQJWZJKNB-UHFFFAOYSA-N	249.119	-0.287	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1CC=CCC1	2220146650	MCKZPRZKGANTEB-QMMMGPOBSA-N	247.063	-0.549	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)C[C@H]1CN	2223636832	BFXOKIVFDFSYPU-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
CCn1cc(CNc2ncccc2B(O)O)cn1	2223637319	PHQACAUZJCOFJS-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
CCc1conc1CNc1cc(B(O)O)ccn1	2223667233	OERYUZSMCMIOGX-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)c1ccc(B(O)O)cn1	2223669547	LHHKEPROSOZJPT-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)N(c2ccc(B(O)O)cn2)C1	2223671410	LOLVUOLFJUKMJS-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CCCO[C@@H]23)c1	2223672271	SWCOLHRJQMXBKZ-CKYFFXLPSA-N	248.091	-0.402	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)n(C)n1	2223675336	VOIDGDSVUSXPNN-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1ccc(N[C@H]2COC[C@@H]2C2CC2)nc1	2223677246	LRQVEHDUTCOZLR-MNOVXSKESA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2CC[C@H]3C[C@H]23)[nH]c1	2223678217	YSOCFXHHNPRARO-ATZCPNFKSA-N	247.107	-0.574	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)CO1	2243357253	UBINRQVIABTPNR-DTWKUNHWSA-N	225.053	-0.972	50	10	BBGE	
NCc1ccccc1NC(=O)C#CB(O)O	2243362781	WJAWFJQCESVBTD-UHFFFAOYSA-N	218.021	-0.901	50	10	BBGE	
CC[C@@H](CN(C)C)NC(=O)C1(B(O)O)CC1	2243363835	NELJDJJYYXIBBQ-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
Cc1cc(C(=O)NCCCF)oc1B(O)O	2243378781	ZDTAKMUYOLKVBF-UHFFFAOYSA-N	229.016	-0.643	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC=C(CO)CC1	2243396138	IEQXHNYVTLGPCF-IUCAKERBSA-N	225.053	-1.000	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)s1	2243397023	UKTLERHOXGQQDL-NKWVEPMBSA-N	240.093	-0.069	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CC(F)C2)C1	2243397337	ZBSBCVHNVIEJTJ-YUMQZZPRSA-N	227.044	-0.190	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CCO1	2243399947	SUORVWUCKDZIDW-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2243400379	ABFGABJOCXMFDH-BBVRLYRLSA-N	228.991	-0.838	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H]2CCC[C@@H]21	2243400956	KCMYOLSONFXHHL-ZJUUUORDSA-N	221.065	-0.207	50	10	BBGE	
O=C(NC1CC2(CSC2)C1)[C@H]1C[C@@H]1B(O)O	2243426449	IHOXJKMLUYPBQN-YUMQZZPRSA-N	241.121	-0.139	50	10	BBGE	
Cc1ncnc(N(C)[C@@H](C)CF)c1B(O)O	2244148410	PKGGZQWZWSKOAC-LURJTMIESA-N	227.048	-0.741	50	10	BBGE	
Cc1ncc(B(O)O)cc1OC[C@H]1CCOC1	2246742275	LJBOZXCLIFNPAR-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
O=C(N[C@H]1CC[C@H](O)CC1)C1(B(O)O)CCC1	2247735759	OVEBCGKJMVHFBO-KYZUINATSA-N	241.096	-0.197	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790316	GTDMNNYKNKYSGM-XKNYDFJKSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@@]12CCNC[C@H]1C2)C1CC(B(O)O)C1	2247797281	IAMLPYKHEPCOPK-FOLWWEGKSA-N	238.096	-0.892	50	10	BBGE	
CC(C)[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247798127	QIJYZPIGNRTTRK-OPRDCNLKSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1CCCC12CNC2)[C@H]1C[C@H]1B(O)O	2247798789	XGLMIOIYIFVFTK-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
C#CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808488	LBSHBGPHZIRMQV-RQJHMYQMSA-N	248.997	-0.127	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)O1	2247808716	MBMXMXGXHQLVEH-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C(=O)C1CC(B(O)O)C1	2247809216	YHXHRXWQADZILS-NFTFJBJSSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CC(F)(F)C[C@H]2C1	2247847416	WWZJXQSJLGNUKS-YUMQZZPRSA-N	243.018	-0.495	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2cc(B(O)O)c[nH]2)[C@H]1C	2247850157	KRTDZFBOOZNAKS-BQBZGAKWSA-N	236.080	-0.674	50	10	BBGE	
NC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CCCC1	2247854772	IGCWJVNMRUCBNK-AEJSXWLSSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H]1CN(C)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247859793	PKDMVVFJIHJYLQ-OPRDCNLKSA-N	240.112	-0.741	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2247859848	QEZWADFDFSVDMD-ZYUZMQFOSA-N	241.096	-0.341	50	10	BBGE	
CCCONC(=O)c1cccc(B(O)O)c1C	2247870839	QQSMYGJGCQHDJV-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)C(=O)C1(B(O)O)CCC1	2247874958	RBCRLMNANIBFJW-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CN(C[C@H]1CCCN1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247894456	GZNLZFIBVKDMGD-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
COCCN(CCC#N)C(=O)[C@H]1C[C@H]1B(O)O	2247895674	UWOPRHUBDBSLCH-DTWKUNHWSA-N	240.068	-0.762	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C(=O)C1CC(B(O)O)C1	2247904244	OZRWUGWLXMTKLL-LGUIWLBCSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC[C@H]1CCCN1)C1CC(B(O)O)C1	2247909288	HQAWXUOTMIZXJH-UDNWOFFPSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1B(O)O	2247979443	UKVIRWKKFDOWMY-XCBNKYQSSA-N	234.064	-0.104	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2248586022	UNSVBLCSWRTXLY-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
C=CC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248587347	OKEYORWSKSTHIG-RRQHEKLDSA-N	241.052	-0.615	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cocc1B(O)O	2249412151	VPJZYEZEIXOTEU-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
O=C(c1cocc1B(O)O)N(O)C1CCCC1	2249415566	GEGPFDTYFIIUFF-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
CC1CCN(C(=O)NCCC#CB(O)O)CC1	2249985596	HKDZRUNJNXATMJ-UHFFFAOYSA-N	238.096	-0.167	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nc1ccncn1	2255444300	JOHWJYXZPFIVCK-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H](C#N)C1	2255444356	KJVQUGKWOVKTEY-QMMMGPOBSA-N	248.047	-0.747	50	10	BBGE	
CC1CCN(C(=O)c2ccncc2B(O)O)CC1	2255452927	NCVDORCQJHPKSH-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C#C[C@H](C1CC1)N(C)C(=O)c1ccoc1B(O)O	2255468471	BCMKLJRWXLBMKH-SNVBAGLBSA-N	247.059	-0.557	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2C[C@@H]2C1)c1occc1B(O)O	2255485437	QZCDSPLHILKASP-AYMMMOKOSA-N	249.075	-0.265	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1ccc(F)cc1B(O)O	2255497439	BBZPBICZCMSFMB-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2255517164	TYETWOKNQJHGHD-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)ncn1	2255557417	FATVVJLLTSIDGV-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
O=C(NCc1ccncc1)c1coc(B(O)O)c1	2255733357	JKUAAOZAGANEGB-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C(NCc1cncn1C1CC1)[C@@H]1C[C@H]1B(O)O	2255782698	GLQOBSKOBOMXQO-NXEZZACHSA-N	249.079	-0.303	50	10	BBGE	
Cc1ccnc(C(=O)NC2CC=CC2)c1B(O)O	2255786490	RLBULLVJRYCRNU-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2255798786	YEGGMWVRAXITCW-DTORHVGOSA-N	249.079	-0.346	50	10	BBGE	
CC#CC(=O)N1CCCc2cccc(B(O)O)c21	2256600918	MNENELQRWRYQFJ-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CN(C[C@H]1OC[C@@H]2CCC[C@H]12)C(=O)C(=O)NN	2297991409	DIFYCDOFAZZSTP-XHNCKOQMSA-N	241.291	-0.750	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC[C@@H]3C[C@H]2CO3)c1	2298318969	FXRLJSAWJCNCIJ-WCABBAIRSA-N	236.080	-0.622	50	10	BBGE	
CN(C[C@@]1(C)CCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2298371134	AMRXNGUFMPMVCA-FXPVBKGRSA-N	241.096	-0.266	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2298376728	LIZJEAFDDKZJEU-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
CC(C)[C@@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298463096	PJKAEUXCYLGMGD-PRJMDXOYSA-N	243.068	-0.583	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CC(CCO)C1	2300370838	LRHVVVXSLFJGIZ-MNOVXSKESA-N	241.335	-0.293	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCO[C@H]2CCOC2)C1	2303105305	NEHBUJXKGJOWFU-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCC[C@H]3CCO[C@@H]32)c1	2307263436	YFQWTPDLMPBZBK-GDPRMGEGSA-N	236.080	-0.307	50	10	BBGE	
CC(C)C(=O)N1CCC[C@@H](C(=O)NN)C1	36963064	CSIKTAJBVWRQBH-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCCN(C)C	82544102	WSVXWDKTWWXWCP-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCCNCC1	86313623	NCIZCRVIKOSMLA-BDAKNGLRSA-N	214.313	-0.704	50	10	BBGE	
COC[C@@H](C)C(=O)NNC(=O)CSC	89994439	FMZCNNGPUZUMLN-ZCFIWIBFSA-N	220.294	-0.221	50	10	BBGE	
COc1c(B(O)O)ccc([N+](=O)[O-])c1OC	201216828	AVGFPBHFIDWQOJ-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
CCC[C@@H](Sc1nnnn1C)C(=O)NN	211727047	QFBJONWWZMYPAP-RXMQYKEDSA-N	230.297	-0.539	50	10	BBGE	
CC(C)(CCl)C(=O)N1C[C@H](O)[C@H](O)C1	227260039	UVLZFWXXVKTYER-KNVOCYPGSA-N	221.684	-0.185	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(O)C1	235062402	DRDRRZPXVOPHCL-IONNQARKSA-N	201.270	-0.788	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(O)cc1O	236185415	HTXUZHDSFZLCES-UHFFFAOYSA-N	211.177	-0.589	50	10	BBGE	
O=Cc1nc(C(F)(F)F)ccc1B(O)O	238621205	XWROFUZWMNMQCP-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
OB(O)c1cnc(OC2CCC2)nc1Cl	238653545	PRIUCPGQULMZQX-UHFFFAOYSA-N	228.444	-0.259	50	10	BBGE	
N#CC1=CC(C(=O)NC2CC2)=NS1(=O)=O	260207212	QASLBIGWKANYKY-UHFFFAOYSA-N	225.229	-0.543	50	10	BBGE	
CCNC(=O)CS[C@@H](C)[C@H](C)C(=O)NN	300827354	JUDOKHMQNJQKJB-BQBZGAKWSA-N	233.337	-0.130	50	10	BBGE	
CC(=O)N1CC(NC(=O)[C@H](C)Cl)C1	306567246	BPRHHOJYOVHMAW-YFKPBYRVSA-N	204.657	-0.039	50	10	BBGE	
C[S@](=O)C1(CNC(=O)NN)CCC1	307478834	NRTNIUDQYJPPAN-ZDUSSCGKSA-N	205.283	-0.540	50	10	BBGE	
CC(C)[C@@H]1OC[C@H](O)/C1=N\NC(N)=O	307720493	UHZIUUZNHUYJNN-BOUWISCSSA-N	201.226	-0.574	50	10	BBGE	
O=C(CCl)NCCc1nc(=O)o[nH]1	392279689	QOWLDOFRLVSPNB-UHFFFAOYSA-N	205.601	-0.740	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1CN(C)CC2)C(=O)NN	394368134	WKEIKPABIKLWMB-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
O=C(CCl)Cc1cc(CO)ccc1B(O)O	396056375	LAJIPGMUUWGIBL-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
CCOC(=O)CCc1cccc(B(O)O)c1C#N	396117695	YOPIEECWUQANQI-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
OB(O)c1cnn(Cc2cccc(F)c2)c1	396131218	YVMILEULBHDZDY-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
N#Cc1cc2sc(CO)cc2cc1B(O)O	396230548	YHCWGWITTLXXRZ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CN(Cc1cnns1)CC(C)(C)C(=O)NN	400043394	SEAADDKOCNXAEX-UHFFFAOYSA-N	243.336	-0.014	50	10	BBGE	
C[C@@H](CN1CCC[C@H](CN(C)C)C1)C(=O)NN	405143861	WSADJMFWYPIHDR-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
O=C(CCCCl)N[C@H]1C(=O)OC[C@@H]1O	675080517	SJTISAITPCCMFU-CAHLUQPWSA-N	221.640	-0.592	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1CCCC(=O)NN	688938265	WNSZPJXEBSYDHN-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@@H]1CO	695086130	GQENKWVHEORBHW-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
COC[C@H](CO[C@H](C)C(=O)NN)OC	695711429	UJYAVOGRUKATFD-RNFRBKRXSA-N	206.242	-0.957	50	10	BBGE	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCB(O)O	702028776	DTXDNTAZXWZDFI-UHFFFAOYSA-N	238.008	-0.735	50	10	BBGE	
CSC1CC(N(C)CC(=O)NN)C1	707307334	WLIRXUWNBJTERI-UHFFFAOYSA-N	203.311	-0.198	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@H](O)C1CC1	708543614	IFQLALGQDCEKGR-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	709378448	RQDNAXPIDARKBS-APPZFPTMSA-N	215.297	-0.400	50	10	BBGE	
CCOCC(=O)N1CCc2cc(B(O)O)ccc21	712220010	NLYFIMOEIKEZMT-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@H](C1)C2(F)F	715398978	CLJKOCPVCHZQRK-OLQVQODUSA-N	205.208	-0.437	50	10	BBGE	
NNC(=O)CCCN1C2CCC1(CO)CC2	723024010	ZZZXEGSMISZYRC-UHFFFAOYSA-N	227.308	-0.254	50	10	BBGE	
CC(C)(F)C(=O)NNC(=O)[C@@H]1COCCO1	768416134	DTLMQZQMQNWHIB-LURJTMIESA-N	234.227	-0.703	50	10	BBGE	
CN(NC(=O)/C=C/[C@@H]1CCCO1)C(N)=O	819449380	LWOGMWUNDYABCI-KPJROHGDSA-N	213.237	-0.237	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@]1(C)CCN(C)C1=O	910138659	KCTVEEQTUDHFQV-KCJUWKMLSA-N	243.307	-0.801	50	10	BBGE	
N#C[C@H](CCl)[C@@H]1CC[C@@H]2NNC(=O)N2N1	953054855	VHKSHXYCKWNNRY-LYFYHCNISA-N	229.671	-0.112	50	10	BBGE	
Cc1nnc(NNC(=O)CSCC#N)n1C	1118941506	HUBCVLZCUCFYOQ-UHFFFAOYSA-N	240.292	-0.177	50	10	BBGE	
N#CCCCC(=O)NNC(=O)[C@@H]1COCCO1	1126688622	DDULETOMFKBPBQ-QMMMGPOBSA-N	241.247	-0.757	50	10	BBGE	
O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccccc1	1320576138	AFDYJXQEBXMUEZ-QMMMGPOBSA-N	248.242	-0.272	50	10	BBGE	
CO[C@H](C(=O)NN(C)C[C@H](C)O)[C@H]1CCOC1	1332629639	WFNKHXMFUMAROR-GUBZILKMSA-N	246.307	-0.618	50	10	BBGE	
COCC1(C(=O)NNC(=O)CO)CCCC1	1457722849	QQFSRTDCOZQUHC-UHFFFAOYSA-N	230.264	-0.667	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCCC(N)=O	1543992033	FMZAVZMFXCYCLP-BQYQJAHWSA-N	225.248	-0.188	50	10	BBGE	
COCc1nocc1C(=O)NN(C)C(N)=O	1566497432	USGGYMHVCDGMCB-UHFFFAOYSA-N	228.208	-0.524	50	10	BBGE	
CC[C@@H](C)n1nccc1C(=O)NNC(=O)CO	1641424624	VSUFBVYNILJPMZ-SSDOTTSWSA-N	240.263	-0.393	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](NCCF)C1	1880702896	KIWOACFDQFJDNZ-NTSWFWBYSA-N	215.677	-0.050	50	10	BBGE	
C#CCNS(=O)(=O)CCOCCCl	1883180721	YAOFPMDHHUFFTI-UHFFFAOYSA-N	225.697	-0.206	50	10	BBGE	
Cn1nnc(CNC[C@@H]2C[C@H]2Cl)n1	1883550055	CZPZNDLOGGEEFB-NTSWFWBYSA-N	201.661	-0.073	50	10	BBGE	
CN(C)CCCOCCCC(=O)NN	1884745447	FMSMHEXNXYBSRW-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
CO[C@H]1COC[C@H]1NS(=O)(=O)CCCl	1884855020	ZQUZPVJLSIMQFO-RQJHMYQMSA-N	243.712	-0.442	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1[C@@H](C)CC(=O)NN	1885790864	OYIFHLPRMMEKBT-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
C=C(CCl)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1	1895612649	ZEUYOOXXJYHLHF-HTQZYQBOSA-N	245.710	-0.700	50	10	BBGE	
C[C@@H]1C[C@H]1COc1ncc(F)cc1B(O)O	1897622072	XDCOCNHMMSPLBO-RQJHMYQMSA-N	225.028	-0.065	50	10	BBGE	
CCc1cnn([C@@H](C)CC(=O)NN)c(=O)c1	1899127389	YPPNFCKUYUSIHQ-ZETCQYMHSA-N	224.264	-0.253	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C1(N)CCC1	1901340020	XMKMFPXUJQOJOQ-UHFFFAOYSA-N	249.336	-0.431	50	10	BBGE	
CN1CCC[C@@H](N2CC[C@@H](B(O)O)C2)C1=O	1902515250	DLXYYTSZRRVPMF-RKDXNWHRSA-N	226.085	-0.844	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@]1(C)CO)C(=O)NN	1902715405	HAZPHKLMKGGKOU-QWRGUYRKSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC=C2B(O)O)O1	1910104700	UEBDBCOPYUCLFD-FKTZTGRPSA-N	239.080	-0.229	50	10	BBGE	
CO[C@H]1CN([C@H](C)CC(=O)NN)CC[C@H]1OC	1910473015	LKDOTOYKJPIYNT-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CCOC(=O)C(C=O)=C1NC(=O)CS1	1911536103	AUEWREHIVLKODG-UHFFFAOYSA-N	215.230	-0.177	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1cnsc1	1913616927	FUGVHDMCQUISGR-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCCN(CC(=O)NN)S(=O)(=O)C1CC1	1913802528	YDYZHZRNPRSCJP-UHFFFAOYSA-N	235.309	-0.820	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@H](C#N)C1	1914868661	GFWISYRCSMJHGC-NXEZZACHSA-N	239.323	-0.715	50	10	BBGE	
C[C@@H](CN1C[C@H](O)CC(C)(C)C1)C(=O)NN	1923153725	AXHNHULWQPUEHP-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H](O)CC2(CC2)C1	1926434241	OTJKCNNAAKMNCK-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)CSC1=O	1927911816	RPVKZFIPGARMNS-UHNVWZDZSA-N	229.261	-0.692	50	10	BBGE	
O[C@H](CBr)CN1C[C@H](F)[C@H](O)C1	1929872133	LOUITICOTOXLTQ-DSYKOEDSSA-N	242.088	-0.243	50	10	BBGE	
C[C@@]1(O)CON(S(=O)(=O)CCl)C1	1930277485	OLTAWOUEPMDMON-YFKPBYRVSA-N	215.658	-0.489	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)C(=O)NN)S1	1931563412	DPTOFCRBNBBBRY-PHDIDXHHSA-N	217.294	-0.623	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1N(C)CC(=O)NN	1932312674	KIMYXSXLPUXCBU-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)NC1CC(NC(N)=O)C1	1932441606	WNNUWOFTOYVGMK-IISSFJTQSA-N	219.672	-0.071	50	10	BBGE	
O=C(CBr)NC[C@@H]1COC[C@H]1O	1933390748	YWFLVKOPERXVIQ-PHDIDXHHSA-N	238.081	-0.495	50	10	BBGE	
CO[C@H]1CCCN(CCC(=O)NN)[C@H]1C	1934287090	NXBATFSXZLBFKR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@H]1C(=O)O	1935410523	XDXBNWAMKNULFZ-RNFRBKRXSA-N	215.253	-0.127	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nnc2nc[nH]n12	1935693630	LWBGXUBNFVQAOV-BYPYZUCNSA-N	241.280	-0.687	50	10	BBGE	
COC[C@@H]1CCCN1CCOCC(=O)NN	1936530758	CCCSKBVCXTZEKI-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)Cn1ccnc1	1937141473	SXTVUJOPSQFSNI-SSDOTTSWSA-N	245.666	-0.220	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1938364376	DIBMHTGZOICJKZ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1939466440	PVHYKUQUTMLUAU-DTWKUNHWSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CC[C@H](N(C)CCOCC(=O)NN)CO1	1941772790	NTEGSRPWJQVAJN-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](NC(=O)c1ccco1)C(=O)NNCCO	1944218317	LZQLNULYWNJBJE-ZETCQYMHSA-N	241.247	-0.989	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(=O)C[C@H]1C	1944361373	VOVKDTCSQJZOIE-HTQZYQBOSA-N	241.291	-0.547	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949271549	UCZNMMTYEPLWJI-VLEAKVRGSA-N	241.335	-0.011	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@]12CC[C@@H]1C2	1951281626	YSERPKCIFDMERL-HQJQHLMTSA-N	232.048	-0.500	50	10	BBGE	
O=C([C@H]1CCS1(=O)=O)N1CC(Cl)C1	1954056525	JEZFWTZAQDHADJ-ZCFIWIBFSA-N	223.681	-0.377	50	10	BBGE	
CN(Cc1nc(C2CC2)no1)C(=O)NN	1958694402	AGJUWPPEOZYLBI-UHFFFAOYSA-N	211.225	-0.038	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CC[C@]12CCCO2	1958754078	REOYNJLWLWLBTF-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1958805138	PYGVIVQWLFTYCN-OAHBRNHXSA-N	233.695	-0.044	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H](C[C@H]2O)C1	1959719693	DTBXYQKRWMAITQ-HRDYMLBCSA-N	213.281	-0.931	50	10	BBGE	
CC1(C)CN(S(C)(=O)=O)[C@@H](N=C=O)CO1	1960421320	SWWZKENOCJHBIF-SSDOTTSWSA-N	234.277	-0.281	50	10	BBGE	
NC(=O)NCCCN=c1[nH]nc(CCl)o1	1960709150	JYUAAVMAJORBHA-UHFFFAOYSA-N	233.659	-0.299	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CCO2)C1	1961519724	KWWCCMKKMPXVJF-JGVFFNPUSA-N	211.265	-0.913	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)CC[S@@]1=O	1961553855	QHKUYGVVCKUWPS-KUTMEBCESA-N	233.337	-0.792	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1976578888	LQFLTPTZTRGIJI-WPRPVWTQSA-N	226.324	-0.467	50	10	BBGE	
CC1(C2CC2)CN(CCOCC(=O)NN)C1	1978057956	SCOFZWKRUZWSLV-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)CN1CCC[C@@]2(CO)CCC[C@H]12	1978919967	OYSZUYLXRHUILF-GXSJLCMTSA-N	227.308	-0.397	50	10	BBGE	
CC[C@@H]1CCOCC[C@H]1NC(=O)C(=O)NN	1978955214	GERYOJXXRZTABB-HTQZYQBOSA-N	229.280	-0.702	50	10	BBGE	
NNC(=O)CCCN1CCC=CCS1(=O)=O	1979179717	RJPWUUORWXFGPF-UHFFFAOYSA-N	247.320	-0.652	50	10	BBGE	
CN(Cc1c(Cl)cnn1C)C(=O)C(=O)NN	1980182928	LQQWRTOJCRZAKE-UHFFFAOYSA-N	245.670	-0.978	50	10	BBGE	
NNC(=O)C1(CN2CC(O)(C(F)F)C2)CC1	1981254014	IOIYLKRWBZJJTO-UHFFFAOYSA-N	235.234	-0.932	50	10	BBGE	
CO[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	1982346586	XQOOLUHPZKYQQY-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
CCOCCN(C)CCC(F)(F)C(=O)NN	1984129937	LQCIREGPSNBRRC-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@H](C)C(=O)NN	1987519184	WIZSCVRKFCIWGH-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NCB(O)O)C12CCC2	1988757681	DSHWOWDJDYRZAW-YUMQZZPRSA-N	227.069	-0.680	50	10	BBGE	
CC(=O)NNC(=O)Cn1ccnc1C(F)F	1990746435	XMSBPEUAZVLGRJ-UHFFFAOYSA-N	232.190	-0.012	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C(C)(C)F)C1	1990776088	FWNAFEWFXSZKJO-UHFFFAOYSA-N	231.271	-0.166	50	10	BBGE	
NN=c1ccc(C(=O)NC[C@H]2C[C@H]2Cl)n[nH]1	1991431457	DWDIAVIHPAEQMP-PHDIDXHHSA-N	241.682	-0.459	50	10	BBGE	
NC(=O)[C@@H]1CN(C[C@@H]2C[C@H]2Cl)C[C@@H]1C(N)=O	1991433393	QGVZWVRXKXMTEC-RULNZFCNSA-N	245.710	-0.868	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992152990	KEVFMRRWCJEAED-IUCAKERBSA-N	223.081	-0.200	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)n1C	1992168211	WZYBIXIIOYUFCN-UHFFFAOYSA-N	220.037	-0.921	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2CC[C@H]1C21CC1	1992596165	OXCHRRLOSRIPKM-PRJMDXOYSA-N	223.276	-0.329	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)[C@@H](C)C(=O)NN)C[C@H]1OC	2004906656	JYHMFQKZSJNVJV-QEYWKRMJSA-N	245.323	-0.511	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@H]1CO2	2004928987	HYIZQNFGLXYSCE-IUCAKERBSA-N	234.064	-0.871	50	10	BBGE	
COC[C@H](Oc1ncccc1B(O)O)C(C)C	2004953702	YCJWEDLXFFMINU-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
CCCN(c1ncc(B(O)O)c(C)n1)C1CC1	2004974075	FKYXFAXUFAWQAY-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2C[C@H]1C[C@@H]1C(=O)NN	2008784350	BKKWCSSSCTXXIA-ZKKRXERASA-N	239.319	-0.278	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC[C@H]2CF)n1	2011854162	ISVHVUDXHDLHPX-ZETCQYMHSA-N	241.270	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)C2(CC2)C1	2014771079	DMEGUCPVHJKCGI-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@H]1COC	2015788889	LNWHMQFRCQHCMQ-UTLUCORTSA-N	245.323	-0.794	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2CC[C@]2(CO)C1	2021653310	AJXURCVVVRGVLB-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
C=C1CON(Cc2cc(OC)ccc2B(O)O)C1	2032262535	QGXFSBFKCJCOIM-UHFFFAOYSA-N	249.075	-0.322	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCc2nnccc2C1	2043020180	QJTZHQZWDGUGHX-NSHDSACASA-N	249.318	-0.151	50	10	BBGE	
NNC(=O)c1cccc(CN2CC3(CCO3)C2)n1	2051856135	LBRGGDKHDFBUQP-UHFFFAOYSA-N	248.286	-0.340	50	10	BBGE	
C[C@@H](c1ccco1)N(C)c1ncncc1B(O)O	2052470778	IIDUIMFGDREQDA-QMMMGPOBSA-N	247.063	-0.053	50	10	BBGE	
CN(CCCC(=O)NN)C[C@]1(F)CCOC1	2212152438	KVUUXDIOSOUZLH-SNVBAGLBSA-N	233.287	-0.183	50	10	BBGE	
CN(CC(=O)NN)C[C@H](F)C1CCOCC1	2212189325	JZTZXBFJFSHMMN-VIFPVBQESA-N	233.287	-0.327	50	10	BBGE	
CS[C@@H]1CC[C@@H]1Nc1ncc(B(O)O)cn1	2212602817	KGGFHKNFOCNEMX-JGVFFNPUSA-N	239.109	-0.538	50	10	BBGE	
C#C[C@](C)(CC)Nc1ccc(B(O)O)cn1	2212610561	KSNSSUNRQLXXDQ-LLVKDONJSA-N	218.065	-0.025	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1cc(B(O)O)ccn1	2212614413	CSQANQNGKPZFIN-VXNVDRBHSA-N	224.069	-0.667	50	10	BBGE	
CCN1CCN(C[C@H]2CC[C@@H]2C(=O)NN)CC1	2215777039	QITWNANQIUUCPX-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3CCC[C@@H]32)c1F	2217182609	FPWMPLZBDMHNTO-APPZFPTMSA-N	236.055	-0.111	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1Nc1cc(B(O)O)ccn1	2217203016	OILXYORLWAOCSN-ZJUUUORDSA-N	235.096	-0.734	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)c1	2223632591	LSPZOTZBKQWOTE-MXWKQRLJSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CO[C@H]3C[C@@H]2C3)c1	2223640975	ZZSHFEYQABRTTF-ATZCPNFKSA-N	248.091	-0.402	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(c2cc(B(O)O)ccn2)C1	2223649483	ZJQOYHAQXUEEAR-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(B(O)O)cn1	2223671203	IWJSHBCVOHIWTK-RTCCRHLQSA-N	247.107	-0.780	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C)CC1)B(O)O	2241492284	YVFMUROORMLCIC-UHFFFAOYSA-N	219.071	-0.974	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cn1	2243356553	JJXXIPWTOYNYLH-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C#CB(O)O)C[C@@H](C)O1	2243356665	LJUIRFXOTVZNKO-AYMMMOKOSA-N	225.053	-0.926	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243356738	MIPAJTBOAGJWNN-IMSYWVGJSA-N	221.065	-0.590	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC(C(F)F)C1	2243356767	MPMOHSKLTGOQOK-UHFFFAOYSA-N	231.007	-0.591	50	10	BBGE	
O=C(NCc1ccnnc1)C1(B(O)O)CC1	2243368025	CFSZREAMDLYSCU-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
C[C@@H](O)C1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2243381418	GEVDYBYXUDEWEL-PRJMDXOYSA-N	227.069	-0.731	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1COC1	2243381610	HDPJDZSPRMBVDG-ZKCHVHJHSA-N	227.069	-0.513	50	10	BBGE	
CC(C)CONC(=O)c1ccoc1B(O)O	2243400259	YCOLWCYFLKMENI-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
CC[C@H](CO)CNC(=O)C1(B(O)O)CCC1	2243411340	RQQFFUFEMBNCDT-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
CCC1(NC(=O)C2CC(B(O)O)C2)CNC1	2243414255	WXKKVIRQKHCLAV-UHFFFAOYSA-N	226.085	-0.892	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)sn1)C(C)C	2243415225	QKSCBFRPUHEFAX-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CC#CC(=O)N(C)Cc1ccc(B(O)O)s1	2243679254	VGAPTAHWFGLFMI-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2244216808	MNKYOTCOOQEHCZ-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
COc1nn(C)cc1[C@@H]1C(=O)NC(=O)[C@@H]1Cl	2244592153	SRZRAAYTWNILNG-NTSWFWBYSA-N	243.650	-0.224	50	10	BBGE	
COC[C@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245913476	RUISRDXUEHQGCA-LURJTMIESA-N	244.487	-0.138	50	10	BBGE	
O=C(NCCc1cnc[nH]1)C1(B(O)O)CCC1	2247724320	XWKFLYUGEKJJKP-UHFFFAOYSA-N	237.068	-0.535	50	10	BBGE	
COC[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2247735521	ZOLDUSWLNJYNNG-LURJTMIESA-N	241.052	-0.967	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1occc1B(O)O	2247758950	XSTYUEIZVXJICV-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CC1(NC(=O)c2ncccc2B(O)O)CCC1	2247770289	NVKYWXQSAAPTOL-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
CN(C)CC(C)(C)NC(=O)C1CC(B(O)O)C1	2247792220	RDYODQFBTQCBOY-UHFFFAOYSA-N	242.128	-0.304	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806505	FLPQNSFFMSFUBC-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
COC1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)CC1	2247808208	TYSILQMFSYHVFE-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@@H]2CC[C@H]21	2247877981	GTRQBYPXUKUROK-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
Cc1c[nH]nc1CNC(=O)C1CC(B(O)O)C1	2247892049	SMWATPNPWCRMKY-UHFFFAOYSA-N	237.068	-0.413	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@]12CCOC2	2247894688	JSJQHLQPKIRQAA-FXPVBKGRSA-N	239.080	-0.369	50	10	BBGE	
CCCC[C@@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894783	KUTFQEIDNBROPZ-GUBZILKMSA-N	242.128	-0.127	50	10	BBGE	
COC[C@]1(C)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897035	NGXRPXCIRLPXSS-WCABBAIRSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC1CCC(CO)CC1)[C@H]1C[C@@H]1B(O)O	2247897236	PSKDRNVWPJHZOF-QLEHZGMVSA-N	241.096	-0.483	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(C)(C)OC[C@@H]1C	2248491028	CWJXCGXKPIUWGR-QMMMGPOBSA-N	243.307	-0.347	50	10	BBGE	
CCC=C1CN(C(=O)c2cc(B(O)O)co2)C1	2249417875	LWYLEQWLANGZHK-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2249590948	UCZJLPNUDJZHQG-DIYOJNKTSA-N	239.080	-0.777	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2250680820	IADKSYNJAWTGDV-KBIXCLLPSA-N	238.096	-0.953	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ccnnc1	2251561162	SFUGWUPYQQPYRM-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
CCc1cc(NC(=O)c2ccc(B(O)O)o2)n[nH]1	2255467721	QUYRLBLBUZXWOI-UHFFFAOYSA-N	249.035	-0.503	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnn2C)oc1B(O)O	2255573375	LMYZLDBHRSHILH-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1cc(C)c(B(O)O)o1	2255574197	XVPFBZJBQIUJKD-LBPRGKRZSA-N	249.075	-0.200	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	2255679953	WHIXCBGYIGOSEZ-XSPKLOCKSA-N	247.059	-0.560	50	10	BBGE	
C[C@@H](C1CC1)N(C)C(=O)c1ncccc1B(O)O	2255710575	MPYIEYSJTWBTPV-QMMMGPOBSA-N	248.091	-0.368	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)ccc1O)C1CC1	2256018206	LHQJTFFYWIXDFY-ZETCQYMHSA-N	249.075	-0.400	50	10	BBGE	
C=C=CCC(=O)N1CCc2cccc(B(O)O)c21	2256599534	WJZOEALCFIXJIZ-UHFFFAOYSA-N	243.071	-0.013	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)c(F)cc2C)C1	2258083938	GSYRTVJSMARHDP-UHFFFAOYSA-N	249.050	-0.174	50	10	BBGE	
C#CC[C@@H](C)CN(C)C(=O)c1cocc1B(O)O	2258144202	VQZAMQTVRXKTKS-SECBINFHSA-N	249.075	-0.309	50	10	BBGE	
CCC[C@@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCOC1	2298368775	XEMTZDXUUBJWCK-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
COC[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)C	2298368909	BQBRFSQVKFJSDI-BBBLOLIVSA-N	243.112	-0.116	50	10	BBGE	
N[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2298370919	RRSCOKMUWQMSJS-CKEKPRIKSA-N	238.096	-0.811	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1B(O)O	2298376422	WCSCOIWGWRFSEF-KYXWUPHJSA-N	241.096	-0.626	50	10	BBGE	
CC[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376703	JYGOGPAPLMLLML-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300371563	NHKOXMPWOVYUJL-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3coc(B(O)O)c3)[C@@H]1C2	2312857439	ZZLQHMUQARWTEW-AUTRQRHGSA-N	249.075	-0.122	50	10	BBGE	
OB(O)c1cccnc1OC[C@]12C[C@H](CCN1)C2	2315156923	NVTKYFGPHHMHGZ-WVSHTKLVSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1c1ccc(C=O)c(B(O)O)c1	2317352024	RPYGOOLGAYXSED-SCZZXKLOSA-N	248.091	-0.895	50	10	BBGE	
CC[C@H](CO)NC(=O)CCCC(=O)NN	58846304	YLLBCGNTWRKTTO-SSDOTTSWSA-N	217.269	-0.966	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@@H]1C	82467554	UKMAEJDSXXGQGB-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CN(CCC(=O)NN)Cc1ccncc1	82467933	AIKSKETZDBJGRW-UHFFFAOYSA-N	208.265	-0.107	50	10	BBGE	
CCN(CCCCCC(=O)NN)CC(=O)NC	83682548	GMNLDEWWTQPINQ-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCNC	87472899	LCHNYASLWUSMBG-QMMMGPOBSA-N	202.302	-0.704	50	10	BBGE	
N#Cc1ncn(Cc2ccoc2C(=O)NN)n1	110603411	IRWFEWCBMWRUDR-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccnc2=O)o1	110919432	OMCKPVMVLYILAK-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
COCCN(CCCl)c1nnnn1C	124183986	FKYPQWLVXRRCER-UHFFFAOYSA-N	219.676	-0.098	50	10	BBGE	
O=C(O)C[C@@H](CO)CNC(=O)CCl	170313804	DTDUDQKDWMDFLK-RXMQYKEDSA-N	209.629	-0.575	50	10	BBGE	
O=C(CO)NNC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	182743875	YREYOKDNQNXCRH-HMJBSVBGSA-N	224.260	-0.582	50	10	BBGE	
NNC(=O)[C@H]1CCCCS(=O)(=O)C1	214735205	WZJKQCMMECDTMS-LURJTMIESA-N	206.267	-0.809	50	10	BBGE	
C[C@H](O)CCN(C)[C@@H](C)[C@@H](C)C(=O)NN	220009799	VSCZDMYFFXSNHS-YIZRAAEISA-N	217.313	-0.296	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)NNC(N)=O	233941755	DUBLMJKXNMYFFN-WDSKDSINSA-N	201.226	-0.499	50	10	BBGE	
CCOCC(=O)NC[C@H](Cl)C(=O)OC	233981660	FADNCGRKFDXVFM-LURJTMIESA-N	223.656	-0.081	50	10	BBGE	
NC(=O)NN[C@@H]1Cc2ccccc2[C@H]1O	238590807	OKBNDQDGFGWITD-RKDXNWHRSA-N	207.233	-0.182	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NCc1ncn(C)n1	299737009	HGXLMZFCCVPIGO-YVMONPNESA-N	235.247	-0.125	50	10	BBGE	
CS(=O)(=O)NNC(=O)NCC1CC1	308294748	HJBXSXUSRJTCSY-UHFFFAOYSA-N	207.255	-0.840	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(OC)C1	309376431	QGHYFBRLZKLISM-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1CCN(Cc2cc(B(O)O)ccc2C)C1	313761701	QHGXBCNJVJAWOW-CYBMUJFWSA-N	249.119	-0.104	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC1	379822061	TXBYZVHTIIDZDB-UHFFFAOYSA-N	206.249	-0.109	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@H](O)C1	388627420	OMBOECWFXHWTTK-DJLDLDEBSA-N	215.297	-0.687	50	10	BBGE	
CC(=O)CC(=O)c1cccc(B(O)O)c1F	390427963	XZIIHZNILYTDBK-UHFFFAOYSA-N	223.996	-0.333	50	10	BBGE	
N#Cc1ccc(B(O)O)cc1CCC(=O)O	396098302	JQOWIHARVLMXNB-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
O=Cc1cc2c(B(O)O)cc(CO)cc2s1	396336963	MVZABJMFWCTYKI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CO)C[C@@H](C)C1	398834009	QFJNEDXBMYXULA-SCZZXKLOSA-N	243.307	-0.896	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccccn1	404982528	KOZCKVWNGLHFJF-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCNC(=O)N[C@@H](C)c1ccc(B(O)O)cc1	405148104	OUUAIGIKUPAOPC-QMMMGPOBSA-N	236.080	-0.254	50	10	BBGE	
C[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1	585025224	OYAUMDBPIOGZIA-VHSXEESVSA-N	237.108	-0.527	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](F)C1	685956111	XJRRBWSRSKVVSI-YFKPBYRVSA-N	211.187	-0.345	50	10	BBGE	
CC(C)(CCN1CCCOCC1=O)C(=O)NN	688134164	YYNPJCRSHNEPCS-UHFFFAOYSA-N	243.307	-0.359	50	10	BBGE	
CN(C)C[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	689157466	CZWPXPIDWXWOJU-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CC1CN(C)C1	695049269	OXFDEAVKTBCKTG-LLVKDONJSA-N	242.367	-0.116	50	10	BBGE	
O=C(NCC1CC1)Nc1ncc(B(O)O)s1	701054438	NMOJEZFYFQHAAO-UHFFFAOYSA-N	241.081	-0.646	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CCOC[C@H]1O	706782215	DEKKJVMKQBGRPR-FNCVBFRFSA-N	241.243	-0.947	50	10	BBGE	
CCC(=O)N1Cc2ccc(B(O)O)cc2C1	707943296	SCFMUCQSQSNZOA-UHFFFAOYSA-N	219.049	-0.381	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)[C@H](CO)C1)C(=O)NN	708079247	FGRSCUDDHCBHRC-VGMNWLOBSA-N	215.297	-0.827	50	10	BBGE	
CN([C@@H]1COC[C@@H]1O)S(=O)(=O)CCl	709314905	CUUQOJHTRXHFPW-RITPCOANSA-N	229.685	-0.796	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2CN)CC1	715093131	AOTKYJKCKCCWAY-RKDXNWHRSA-N	223.276	-0.542	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)CCCCl	717356599	QSHBSLIJXUMELC-BQBZGAKWSA-N	209.673	-0.137	50	10	BBGE	
C#CC[C@H](O)CNS(=O)(=O)CCCl	717913587	RHCQSHQLQKJRCW-ZETCQYMHSA-N	225.697	-0.471	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)C1(F)CC1	843791157	CDGAHYIWRXYYSN-UHFFFAOYSA-N	226.211	-0.019	50	10	BBGE	
COC/C(C)=C\C(=O)NNC(=O)[C@H]1CCCO1	846217639	GMWQKDVFAAYCAD-JGAIRUGNSA-N	242.275	-0.095	50	10	BBGE	
CN(CC(Cl)Cl)C(=O)CNC(N)=O	848080312	HYZSXAZKNVRTRB-UHFFFAOYSA-N	228.079	-0.083	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1C[C@H]1C1CC1	879395174	AMWKXWVUWSMXFU-YUMQZZPRSA-N	212.249	-0.438	50	10	BBGE	
CC(=O)NNC(=O)Nc1ccc(=O)n(C)c1	920929499	RWSZPBAXVDSLTB-UHFFFAOYSA-N	224.220	-0.442	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc2nnn(C)c2c1	1254686739	RPTLSTOHZWPUSD-UHFFFAOYSA-N	248.246	-0.458	50	10	BBGE	
O=C(CC1COC1)NNC(=O)[C@H]1CCCO1	1262173714	QXOPZMBQGCLIMI-MRVPVSSYSA-N	228.248	-0.651	50	10	BBGE	
C[C@@H](CF)NC(=O)NNC(=O)c1cnn(C)c1	1343858446	OIMMHGYNAYCJCG-LURJTMIESA-N	243.242	-0.278	50	10	BBGE	
O=C(NN=c1cc[nH]cc1)c1cnncc1O	1447550753	KJDKGIIGSWDTJY-UHFFFAOYSA-N	231.215	-0.244	50	10	BBGE	
O=C(NNC(=O)c1ccon1)c1ccnnc1	1451681197	FRBRUVUUBCODHK-UHFFFAOYSA-N	233.187	-0.461	50	10	BBGE	
CC(C)NC(=O)NNC(=O)CN1CCOCC1	1464573682	NJWCAYWUMPSPJF-UHFFFAOYSA-N	244.295	-0.943	50	10	BBGE	
Cc1cc[nH]c1C(=O)NNC(=O)c1cn(C)nn1	1532345816	CSBCEKQCJGXRAC-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
COc1nccnc1NNC(=O)CC#N	1630079579	UPUFUOYBEWSPBZ-UHFFFAOYSA-N	207.193	-0.158	50	10	BBGE	
C[C@@H](O)[C@H]1CCN1CCCC(=O)NN	1885791096	QTHSOANFOMPMDJ-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CCC[C@H](N)C(=O)NN(C)S(C)(=O)=O	1888562043	NYOVEFVSEDZQRQ-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@H]2Cl)[nH]c1=N	1892905899	WNEWVDCRLOEHMT-RFZPGFLSSA-N	201.661	-0.311	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@H]1Cl)C(=O)O	1893474588	KOGAXTJAIZYDFH-KVQBGUIXSA-N	221.640	-0.171	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@@H]32)nc1	1895126272	QYCZWVZCXODGGC-CBAPKCEASA-N	219.053	-0.855	50	10	BBGE	
CC(C)=C(CN1CC(N2CCC2)C1)B(O)O	1901616963	LXTCKUDRDSVNDX-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
CC[C@@H](C#N)S(=O)(=O)N1CC[C@H](B(O)O)C1	1902512651	OFGSBFINSOKUHN-YUMQZZPRSA-N	246.097	-0.833	50	10	BBGE	
COCCCN(C)Cc1nc(B(O)O)cs1	1902639400	PNGJQPMPDVHHJS-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H]1SC	1905231566	VJDOZKFPPUUQEG-HLTSFMKQSA-N	247.364	-0.183	50	10	BBGE	
OCCCOC1CN(C[C@@H](O)CCl)C1	1906562627	KOUOCJUGZZMUCO-QMMMGPOBSA-N	223.700	-0.331	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1913438501	DRNMSDFBNXTMMK-JGVFFNPUSA-N	249.336	-0.718	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN=S1(=O)CCCC1	1913854861	PJSVSIFLVJOHBS-SFYZADRCSA-N	231.321	-0.126	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C2(CCC2)C1	1914015947	ANMFYQVQCLYLRD-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccccc1CN1CCC2(COC2)C1	1915571409	PHJYIOBFXNFBKJ-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
CCNC(=NC)SCC(=O)NNC(C)=O	1924586940	DMSVWMVAEJKTBT-UHFFFAOYSA-N	232.309	-0.518	50	10	BBGE	
C[C@H]1CCN(S(=O)(=O)CCl)[C@H]1C(N)=O	1928673042	XIDQGGGWALHOEQ-NTSWFWBYSA-N	240.712	-0.292	50	10	BBGE	
CCS(=O)(=O)N[C@H]1CN(C)C[C@H]1Cl	1928750611	HXHFJHCFUWNYQK-RQJHMYQMSA-N	226.729	-0.153	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1CCC(=O)NN	1931526670	LWOCYVSPAGDUDP-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1COC[C@@H]1Cl	1933393180	VAPQQNIZPUHZTP-RITPCOANSA-N	217.660	-0.702	50	10	BBGE	
CC[S@@](=O)N(C)Cc1ccc(B(O)O)s1	1935213803	HVZDJZYGGJOCLQ-OAHLLOKOSA-N	247.150	-0.457	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CNCCO2)CC1	1937400567	ZYVVXRIVARYDMS-JTQLQIEISA-N	225.292	-0.675	50	10	BBGE	
O=C(CCl)NC(=O)NCCN1CCNC1=O	1937404410	SSCLNKXPWJVUJV-UHFFFAOYSA-N	248.670	-0.924	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C(=O)[C@H]2CCC[C@H]21	1937413922	CYJVBJXQNZBPQY-BZNPZCIMSA-N	223.276	-0.377	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H]1C(=O)N(C)C	1940292108	SGVMNRYVXPBCPW-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1CC[C@H]2O	1941290923	LZSUNRWLEGTCCG-BWZBUEFSSA-N	249.261	-0.543	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCN(C)C1CC1	1941989713	QMOBWEIZSFBOHU-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
C[C@]1(O)CON(Cc2occc2C(=O)NN)C1	1944779791	STGKIZVIQOWLFD-SNVBAGLBSA-N	241.247	-0.619	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1946111170	VGCVNLZPDBTXLR-MMWGEVLESA-N	241.335	-0.296	50	10	BBGE	
CCNC(=O)C1CN(C(=O)CBr)C1	1953895773	KDLSGXVPMAJDRN-UHFFFAOYSA-N	249.108	-0.024	50	10	BBGE	
CC[C@@H](Cl)C(=O)N=c1nnn(C)[nH]1	1954505885	KIGQTBLNSONADU-SCSAIBSYSA-N	203.633	-0.412	50	10	BBGE	
O=C(CCCl)N1C[C@@H](O)[C@H]2COC[C@H]21	1955236678	FPFXOBYQLSQFKO-XLPZGREQSA-N	219.668	-0.167	50	10	BBGE	
CO[C@H](CCCl)CN=c1nn[nH]n1C	1956651537	FDAKXVHEAPAQQW-ZCFIWIBFSA-N	219.676	-0.312	50	10	BBGE	
CCN(CCCCO)[C@@H](C)CC(=O)NN	1958352139	BPOSBKNFRZGVKQ-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
N#CC1CN(S(=O)(=O)N2CC[C@@H](Cl)C2)C1	1960071561	VPBPUMGQABOEOV-MRVPVSSYSA-N	249.723	0.000	50	10	BBGE	
COC[C@]12C[C@H]1CN(CCC(=O)NN)C2	1960286549	LBOIBVAKGFTFOD-WCBMZHEXSA-N	213.281	-0.665	50	10	BBGE	
COC1(C(N)=O)CN(C(=O)C[C@H](C)Cl)C1	1962368869	ASOZJLSFGXLGGK-LURJTMIESA-N	234.683	-0.284	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cccc(B(O)O)c1	1970062096	CHRGKYLBWXKLLO-VIFPVBQESA-N	231.060	-0.492	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)c1ncc[nH]c1=O	1974769562	WVKURTANWRCYFA-LURJTMIESA-N	225.635	-0.260	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2CC(F)(C2)C1	1978285108	WLFAWAAEBQLVBR-ZCUBBSJVSA-N	231.271	-0.575	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(=O)C[C@H]1C	1981200171	SIZCBQIULHVPPI-SSDOTTSWSA-N	227.264	-0.793	50	10	BBGE	
C[S@@](=O)C1CN(CCCCCC(=O)NN)C1	1981204986	IPGUYPOOPQZNBB-MRXNPFEDSA-N	247.364	-0.401	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ncc(B(O)O)cn2)C1	1981409082	IOGYPTBEROLQOL-YUMQZZPRSA-N	221.069	-0.609	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H]1F	1982802318	NJWRQOOCUDBGMX-FSPLSTOPSA-N	224.000	-0.942	50	10	BBGE	
Cn1cc([C@@H](N)C(=O)NC2CC(Cl)C2)nn1	1983208517	CBDHOARJELGAKS-NPWHJSNTSA-N	243.698	-0.299	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@@H](C2)[C@H]1CO)C(=O)NN	1984193158	NICPCHMYEHPDFI-AATLWQCWSA-N	227.308	-0.542	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CC2(F)F)n1	1985882942	FDYJUTWRKWMGAI-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
CO[C@H]1CCC[C@@H](N(C)C(=O)C(=O)NN)C1	1987410119	ZMJCIPBCRFVLCB-SFYZADRCSA-N	229.280	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(F)(C2CC2)C1	1990773063	QVPQFEFTGGITSD-UHFFFAOYSA-N	229.255	-0.412	50	10	BBGE	
COCCCC(=O)N[C@H]1CCC=C1B(O)O	1991326650	JBHQTBLAFBKMCN-VIFPVBQESA-N	227.069	-0.370	50	10	BBGE	
Cc1ccc(C(=O)NCC=CB(O)O)nn1	1991334284	DQFRPRYJMLAFCG-UHFFFAOYSA-N	221.025	-0.917	50	10	BBGE	
CN=c1nc(OC)[nH]c(=NC[C@@H]2C[C@@H]2Cl)[nH]1	1991455540	LUYHLJRJHBZWBI-WDSKDSINSA-N	243.698	-0.195	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCNC[C@@H]1C(=O)O	1991714620	JGENPOZWVJEKNJ-UGQQDIOTSA-N	246.650	-0.807	50	10	BBGE	
C=C(CN(C)Cc1nn(C)cc1C)B(O)O	1992160601	YNSKIFATTONFSK-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
C[C@@]1(O)CN(C(=O)C=CC(=O)Cl)CC[C@H]1O	1993583111	OMDZQHYAUAWQRH-GMSGAONNSA-N	247.678	-0.348	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)c1ccccc1	1998131550	WFLIGFTVXJJMAB-MRVPVSSYSA-N	237.020	-0.658	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC2(CCCCC2)CO1	2001542917	GSANHOMWXBDERD-VIFPVBQESA-N	241.096	-0.146	50	10	BBGE	
CC(C)(CN1CC(n2cnnc2)C1)C(=O)NN	2003860033	IYNLBSRCIFJYPU-UHFFFAOYSA-N	238.295	-0.849	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CCCN2C1=O)C(=O)NN	2004267982	XNJIGGGGQFHDHS-NKWVEPMBSA-N	240.263	-0.961	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]([C@@H]2CCCO2)C1	2004392649	FCPSOVUQUOENMV-IUCAKERBSA-N	241.291	-0.606	50	10	BBGE	
Cc1nc(O[C@@H]2CCCOC2)ccc1B(O)O	2004928196	BNLNMFXXNARZQR-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1cnccc1N1CCOC2(CC2)C1	2004929970	PRTPYTZKYQIMAQ-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
Cc1ncnc(N(C)CCC(F)F)c1B(O)O	2004974886	QNFWVQJMBHKZFC-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
Cc1nc(C)n(-c2ncc(B(O)O)cc2F)n1	2004991195	OXQUJQGUEIJKEN-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2CC(F)(F)C(=O)NN	2013677198	SSNCDIMBFZJUIM-JGVFFNPUSA-N	248.277	-0.610	50	10	BBGE	
CN(CCCCC(=O)NN)CCC(=O)N(C)C	2014823496	IEGPKDNFOOCPEG-UHFFFAOYSA-N	244.339	-0.443	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CCCCO2)O1	2018242606	LMWJANCDRSKLLO-NXEZZACHSA-N	243.307	-0.059	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@]12C[C@H](CO1)C2	2018479273	NVRHNGNENCOHTK-JGZJWPJOSA-N	243.307	-0.896	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCO[C@H]1C	2019208325	HOLNJNWIBYUMTJ-WPRPVWTQSA-N	243.307	-0.490	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](O)C1(C)C	2020206369	PCOCXBGYIQRRDU-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CCOC[C@@H]1F	2020497208	SGXKUMUBUGCIJQ-WCBMZHEXSA-N	241.027	-0.733	50	10	BBGE	
C[C@H]1C[C@@H]1COCCn1cc(C(=O)NN)nn1	2022579858	QEVHNGUBROXVNW-JGVFFNPUSA-N	239.279	-0.446	50	10	BBGE	
CO[C@@H]1C[C@@H]1COCc1ccc(B(O)O)cc1	2022713619	ZUDQZFWHEHRSDK-ZYHUDNBSSA-N	236.076	-0.082	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1(C)COC1	2026720870	PCCGXIMKZYVDMO-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
O=C(C1CC1)N1CCc2c(cccc2B(O)O)C1	2032569565	PFHRVHYEHRCQSY-UHFFFAOYSA-N	245.087	-0.339	50	10	BBGE	
Cc1n[nH]cc1C(=O)Nc1ccc(B(O)O)cn1	2040763175	MWVODXHKYAEGFS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CC1(C(=O)Nc2ncc(B(O)O)cn2)CCCC1	2040764619	FSRLUKHOQGHNJM-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H](C2CC2)C1	2052468927	KIYLPEWWXSMJJP-SNVBAGLBSA-N	247.107	-0.217	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)c2ccnn2C)n1	2052796039	SWXRTQNVRFPEDW-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
COc1c(C#N)ccc(B(O)O)c1[N+](=O)[O-]	2060291316	QRZBXEMCCTVPTQ-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1c(B(O)O)ccc(OC(F)F)c1C#N	2060302990	FTIDRUJDZNJKNF-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@@H]1CCN1C	2066394372	GIVDJSPNCNWNHT-NSHDSACASA-N	249.123	-0.790	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2ncc[nH]2)c1	2077803597	SDKUODCFFVJBIR-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@@H](O)[C@@H](O)C[C@H]2C1	2211734581	RBMYURFOTQZUSG-QGKZMRNZSA-N	249.738	-0.350	50	10	BBGE	
N#C[C@@H]1CCN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838291	FRMHQNASRDSYRO-AEJSXWLSSA-N	222.292	-0.152	50	10	BBGE	
CC[C@@H](O)CN(C)CC1(C(=O)NN)CCC1	2212264967	DPFIUWJRMUIWSE-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
Cc1cn(-c2nccc(B(O)O)c2F)cn1	2212594709	KRTGVZMRWJXBII-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
OCCC1(Nc2ccc(B(O)O)cn2)CC1	2212605828	KROTYHUCJJZSEG-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
Cc1nccn(C[C@@H]2CC[C@@H]2C(=O)NN)c1=O	2215770585	COZOFTRAKIDQSC-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
CON1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)CC1	2215771646	JFJGQJIOTRDBGH-UWVGGRQHSA-N	242.323	-0.819	50	10	BBGE	
N[C@H]1C[C@@H](CCOc2ncccc2B(O)O)C1	2217182595	BMYQJJXDUHMZRJ-DTORHVGOSA-N	236.080	-0.732	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217183427	LGPAODGLOMOKNF-UWVGGRQHSA-N	236.080	-0.341	50	10	BBGE	
NCCC1(Oc2ncccc2B(O)O)CCC1	2217184060	MDXHSRNQVPMOGF-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
CC[C@@H]1C[C@H](Nc2ncc(B(O)O)cn2)CO1	2217197518	NGYXLMFYALCPMA-DTWKUNHWSA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CC[C@H]3C2)c1	2217198839	HASUDKYYAAHGME-ZJUUUORDSA-N	232.092	-0.002	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCNC1	2220054341	SCJKDXTYPZDBQF-LBPRGKRZSA-N	248.135	-0.592	50	10	BBGE	
O=C1[C@@H]2C[C@H]2CCN1Cc1cccc(B(O)O)c1	2221487275	DANBMAQMXSNOHR-ZYHUDNBSSA-N	245.087	-0.265	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H]2N(C)C)cc1B(O)O	2223645251	USHDQHXVYFATJH-GHMZBOCLSA-N	249.123	-0.426	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](C(F)(F)F)C1	2243349825	RAEZPZGRBRFSHY-ZCFIWIBFSA-N	234.970	-0.587	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ccoc1B(O)O	2243350060	UYKJCMJPCBKSGX-SSDOTTSWSA-N	225.053	-0.122	50	10	BBGE	
C[C@H]1CC(NC(=O)C#CB(O)O)C[C@H](C)O1	2243356667	LJUIRFXOTVZNKO-YUMQZZPRSA-N	225.053	-0.926	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2243356877	OCSVMTDFXVMPQK-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1F)C1(B(O)O)CC1	2243363511	HWABWGWYLKLJIL-RNFRBKRXSA-N	231.032	-0.763	50	10	BBGE	
CCOC(=O)CCNC(=O)C1(B(O)O)CC1	2243366058	WVJQMFCQAMIFDG-UHFFFAOYSA-N	229.041	-0.937	50	10	BBGE	
NC1CC(CNC(=O)C2(B(O)O)CCC2)C1	2243366163	YDXKSOZDLARJOU-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
CP(C)(=O)CCNC(=O)C1CC(B(O)O)C1	2243382424	OCSGMSWVXLWABX-UHFFFAOYSA-N	247.040	-0.022	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1N	2243382944	SNQAJSKUHIPNMK-RBXMUDONSA-N	226.085	-0.955	50	10	BBGE	
CN(Cc1cocn1)C(=O)[C@H]1C[C@@H]1B(O)O	2243391365	JVYZFMNGCGXOKC-YUMQZZPRSA-N	224.025	-0.504	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1ncc[nH]1	2243391453	KWFNDZNBKMEPFH-LYFYHCNISA-N	223.041	-0.550	50	10	BBGE	
O=C(NCCc1nncs1)[C@H]1C[C@@H]1B(O)O	2243391791	OJJAOUBNOTXOQK-WDSKDSINSA-N	241.081	-0.940	50	10	BBGE	
O=C(NCC1CCOCC1)[C@H]1C[C@@H]1B(O)O	2243396245	JQKKOPCPSXKOKQ-IUCAKERBSA-N	227.069	-0.608	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCSCC1	2243399042	JKWKILQKEHGLLB-VIFPVBQESA-N	241.121	-0.254	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)s1	2243406586	BEAVLWYSJWLSMP-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
CC1(F)CN(C(=O)c2sncc2B(O)O)C1	2243414040	SBNRQJOYZQQPST-UHFFFAOYSA-N	244.056	-0.993	50	10	BBGE	
Cc1nsc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2243427355	UGJOGDFOIDXIIK-WDSKDSINSA-N	241.081	-0.674	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1CC1(C)C)B(O)O	2243432763	DCAHQZHQSWKVFK-QMMMGPOBSA-N	247.125	-0.480	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CS[C@@H]2CCNC2)O1	2244628663	NAFJCRAWHLWFCD-DJLDLDEBSA-N	245.348	-0.381	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CCC2)n[nH]1	2247735474	ZDBSTVFTFFDLLG-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
O=C(Nc1cncnc1)c1ccoc1B(O)O	2247741390	YZDMLYKHYDDZBI-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC1(C)CNC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247751196	UREPVCSFTISHDS-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247755604	IZVOFAQPMAZIDF-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)cn1	2247771725	YEJMSBKEEVKYIW-RDDDGLTNSA-N	234.064	-0.710	50	10	BBGE	
COC[C@]1(C)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787515	QCCULZFKBNFYEN-NGZCFLSTSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CNCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247800622	QUFSCXYIBZTHKY-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1F	2247800990	VWANVMTVRKQLSV-ABIFROTESA-N	245.059	-0.565	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1CO	2247808342	KVFRHHFNFJKOBY-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
COCCC1(NC(=O)C2CC(B(O)O)C2)CC1	2247809044	XUXKXADIBJLUKF-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CCc1ccc(CN(C)C(=O)C#CB(O)O)o1	2247850083	JPBJSQZPTZDZOQ-UHFFFAOYSA-N	235.048	-0.184	50	10	BBGE	
CCCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCNC1	2247856196	FSPWKJICNMIDMQ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C[C@]12CO[C@](CNC(=O)C3(B(O)O)CC3)(C1)C2	2247870744	PCPTYWQGDDTCDC-AOOOYVTPSA-N	239.080	-0.321	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894887	LVVLUWNILUYVGS-QXEWZRGKSA-N	241.096	-0.387	50	10	BBGE	
CC[C@H](C)NC(=O)c1cc(B(O)O)ccc1O	2248031400	AMNAGGOZEYALAF-ZETCQYMHSA-N	237.064	-0.400	50	10	BBGE	
CN(CC(C)(C)C(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2248586589	CYPKEPLUZVAPGB-BQBZGAKWSA-N	243.068	-0.582	50	10	BBGE	
O=C(NC1(C(=O)O)CC=CC1)[C@H]1C[C@@H]1B(O)O	2248587807	UWTCBVMSIGENOU-BQBZGAKWSA-N	239.036	-0.861	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2cc(B(O)O)co2)[C@@H]1C	2249428602	RFKRRSAXLNKFFH-SRSLHRDFSA-N	237.064	-0.409	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@H]2O	2249595095	OWFVQWHUHHMVMJ-HVBPEXOHSA-N	239.080	-0.921	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NCCC#CB(O)O)O1	2249999070	QVIVYKPEBYYSSF-VHSXEESVSA-N	239.080	-0.534	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cc(B(O)O)oc1C	2255456706	RRNXZABDQVYVFL-QMMMGPOBSA-N	249.075	-0.343	50	10	BBGE	
N[C@@H](CCNC(=O)C#CB(O)O)c1ccccc1	2255465522	LNNPCBOCDLCYBC-NSHDSACASA-N	246.075	-0.792	50	10	BBGE	
O=C(Nc1ncccc1F)c1ccc(B(O)O)o1	2255466026	RZZWONYJNGGHRG-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CCCCCC1	2255521153	SOARVTBTECXJCT-UHFFFAOYSA-N	248.091	-0.222	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2c[nH]nc2B(O)O)C1	2255548689	CPHRVSKZOPFNIY-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
N#Cc1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)ncn1	2255560268	SURHBDZPAXZNQH-KNVOCYPGSA-N	246.035	-0.460	50	10	BBGE	
CN(Cc1ccoc1)C(=O)c1cc(B(O)O)c[nH]1	2255670401	FOZVKJJVPSQHGU-UHFFFAOYSA-N	248.047	-0.440	50	10	BBGE	
N#CC1CCN(C(=O)c2ccoc2B(O)O)CC1	2255679779	NUGQVGUGKVNGIS-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CC1)c1ccccc1	2255737160	ALEJDIBMRCZSGC-JTQLQIEISA-N	248.091	-0.190	50	10	BBGE	
CN(C(=O)c1occc1B(O)O)c1ccncn1	2255744404	JFIUWJHYQAZSFB-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc(C(=O)O)cc1	2256920652	RAKLMIQOILMCPR-UHFFFAOYSA-N	247.015	-0.984	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2258126610	GIILAQUFTXLAKY-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H](O)[C@H]1C2	2298165370	XFUHTSOFNXDPDJ-VPJKUYQRSA-N	239.319	-0.542	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2298369141	KSKXUQZHUYHIFT-ZOZBQHSOSA-N	238.096	-0.752	50	10	BBGE	
C[C@@H]1CCOCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369176	LVMMLVPGMXAOBN-DOLQZWNJSA-N	241.096	-0.219	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375508	MRKALPWWGDESSX-MAUMQABQSA-N	237.064	-0.366	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2CC	2299131362	ISYYMXWSUVMFBU-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
COc1cncnc1NC(=O)C1(B(O)O)CC1	2299344606	KRTICRWCTCVGEC-UHFFFAOYSA-N	237.024	-0.569	50	10	BBGE	
C[C@H](N)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2301345714	JEUPGUINHSXBHE-JGVFFNPUSA-N	233.080	-0.614	50	10	BBGE	
C[C@H](COc1cc(B(O)O)c(F)cn1)N(C)C	2303853619	WIQHQEJNWUWZMM-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
N[C@H]1CCC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317312296	FACLRWDTAHVLIR-NWDGAFQWSA-N	249.075	-0.563	50	10	BBGE	
C=CCNC=C(C#N)C(=O)N1CCN(C)CC1	2325467642	UYMICKBPQXULQZ-UHFFFAOYSA-N	234.303	-0.057	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@@H]1CCCO1	82463857	ATFMMDAXBZXADM-YFKPBYRVSA-N	210.180	-0.235	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOC2=O)o1	82471322	SHHXNFFCEMWBMO-UHFFFAOYSA-N	225.204	-0.165	50	10	BBGE	
Cc1nnc(SC[C@@H](C)C(=O)NN)n1C	82472792	MTZSUJMVYYUPGK-RXMQYKEDSA-N	229.309	-0.158	50	10	BBGE	
C[C@@H](NC(=O)CBr)C(=O)N(C)C	82506501	BDXQFSWRCBTFLZ-RXMQYKEDSA-N	237.097	-0.026	50	10	BBGE	
CNC[C@H]1CCCN([C@@H](C(=O)NN)C(C)C)C1	110598509	MQBLCSGIGBJUKA-GHMZBOCLSA-N	242.367	-0.068	50	10	BBGE	
CO[C@H]1CCC[C@H]1N1CC(=O)OC(=O)C1	111217901	IWOKUHFVYFIIEA-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
CCn1cnc(S(=O)(=O)N=C=O)c1	157707283	BWWFJZUGAOOGIP-UHFFFAOYSA-N	201.207	-0.073	50	10	BBGE	
OC[C@H]1COCCN1CCOCCCl	159230019	LVRKUKKUSBTIDI-VIFPVBQESA-N	223.700	-0.065	50	10	BBGE	
CC(C)(O)COc1ccc(B(O)O)cc1	196685985	VTJLGDHALSQQPR-UHFFFAOYSA-N	210.038	-0.484	50	10	BBGE	
CC(C)(CNC(=O)NC(=O)CCl)C(N)=O	230407338	OFLBNERUBIFWJN-UHFFFAOYSA-N	235.671	-0.438	50	10	BBGE	
C[C@@H]1O[C@@H](O)[C@@H](Br)[C@H](O)[C@@H]1O	231498605	WCCJMIBXGLUWRG-MDMQIMBFSA-N	227.054	-0.791	50	10	BBGE	
CN(N=O)C(=O)NC1[C@@H](O)CCC[C@@H]1O	238293036	OLFFKBIMDBFGQF-WDSKDSINSA-N	217.225	-0.417	50	10	BBGE	
COc1c(C(C)=O)ccc(B(O)O)c1F	238401148	KJVGJKNJVLVSFN-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
C[C@H](Br)C(=O)N(C)c1nnnn1C	306752906	LYGQHDQEWUADLN-BYPYZUCNSA-N	248.084	-0.044	50	10	BBGE	
Nc1cc2c(B(O)O)c(N)ccc2s1	306936117	HTIRYLZUFOYZSD-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COCCN1CC[C@@]2(CC(=O)OC2=O)C1	382185707	BPVAQLUKMHGNIN-SNVBAGLBSA-N	213.233	-0.202	50	10	BBGE	
CSCC(=O)NNC(=O)[C@H]1CCO1	388332372	FTXJCEAPFCAXLU-RXMQYKEDSA-N	204.251	-0.714	50	10	BBGE	
CCOc1cc(CC(C)=O)ccc1B(O)O	396078122	OKOLEDNORNJYGR-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1CCOC1	398855283	UCPVXNQOLKPJIS-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
CCOC1(C)CN([C@H](CC)C(=O)NN)C1	399956408	VZJNYHCALVMFHV-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CCc1cc(B(O)O)ccc1NC(=O)COC	405019731	FXVOJVYSMIJBLH-UHFFFAOYSA-N	237.064	-0.486	50	10	BBGE	
C#C[C@H](CO)N1CC[C@H](Br)C1=O	642830708	XZUONVZMAGCTMX-RQJHMYQMSA-N	232.077	-0.024	50	10	BBGE	
CC1(C)[C@H](O)[C@@H]2CCCN(CC(=O)NN)[C@H]21	693092173	QQFUWWZJGBXWIQ-SZEHBUNVSA-N	227.308	-0.542	50	10	BBGE	
C[S@](=O)CCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703423678	BIXVENQPZNILGO-UFIJUMAVSA-N	245.300	-0.329	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1ccc(B(O)O)cc1	703517493	MPXPVTIXMRDMOA-SKDRFNHKSA-N	236.076	-0.082	50	10	BBGE	
CN1C[C@@]2(C)CN(CCC(=O)NN)C[C@@]2(C)C1	706290032	MOFYJHBQDGEKTM-TXEJJXNPSA-N	240.351	-0.360	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CC(n2cncn2)C1	707610116	XYSZERNZPRBOBX-SSDOTTSWSA-N	230.655	-0.173	50	10	BBGE	
NNC(=O)CCCCN1CCNC1=O	710164312	GZMNKVFTYFXYFQ-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
CN(C)NC(=O)[C@@]1(CN)CCCOC1	710344347	NLBGLGFKEUSXJQ-SECBINFHSA-N	201.270	-0.665	50	10	BBGE	
CN1C(C(=O)NCB(O)O)=C=C(Cl)[C-]1Cl	725449840	RHOYZEZNVDPBNG-UHFFFAOYSA-N	249.870	-0.606	50	10	BBGE	
Cn1nccc1CC(=O)NN=c1cc[nH]cc1	768185084	NUWAFANQZJKIIO-UHFFFAOYSA-N	231.259	-0.077	50	10	BBGE	
Cc1oc(C2CC2)nc1C(=O)NNC(=O)CO	807196601	YOGIKLXGRNBZJX-UHFFFAOYSA-N	239.231	-0.386	50	10	BBGE	
Cn1nnc([C@H](Cl)C(=O)NC2CC2)n1	829252080	NUQUGPQXPYJLCY-YFKPBYRVSA-N	215.644	-0.231	50	10	BBGE	
COCC(=O)NN=Cc1cnn2c1CCC2	853318049	KDCJCLNKAAKVAF-UHFFFAOYSA-N	222.248	-0.074	50	10	BBGE	
CCSCC=NNC(=O)CS(C)(=O)=O	863186078	NGTUEJRNSIWGBQ-UHFFFAOYSA-N	238.334	-0.114	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cc(C#N)cn1C	910167740	XMJFXGHIIGCCQA-QMMMGPOBSA-N	236.275	-0.146	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2	1353712477	DRXGRYOXHWSNCD-DJLDLDEBSA-N	240.307	-0.181	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)c2cccnn2)C1	1558131030	MENDNBKRSRIQRW-SSDOTTSWSA-N	248.242	-0.393	50	10	BBGE	
COC(=O)[C@H]1C[C@@H](C(=O)NN(C)C(N)=O)C1	1623316734	VZGAQRRXECKCDT-OLQVQODUSA-N	229.236	-0.773	50	10	BBGE	
COC(=O)[C@@H]1CC[C@H](C(=O)NNC(C)=O)C1	1624651928	QSBPQNANDMXRDK-JGVFFNPUSA-N	228.248	-0.257	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@H](C)CCN(C)C	1639064430	MUFOIMRBHGVPBR-ZJUUUORDSA-N	231.340	-0.082	50	10	BBGE	
O=C(CCCl)N1CCC1(CO)CO	1883349871	QLDSPIPCJJJOKM-UHFFFAOYSA-N	207.657	-0.429	50	10	BBGE	
O=S(=O)(CCCO)NC[C@@H]1C[C@@H]1Cl	1883556507	ZLGYVCHTOJEBSP-BQBZGAKWSA-N	227.713	-0.085	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@@H]1C[C@@H]1Cl	1883567451	PFGIEHVATOFVMV-WHFBIAKZSA-N	201.661	-0.311	50	10	BBGE	
CC(C)(O)CSCCOCC(=O)NN	1887122846	PVBKYIHNKOXAMM-UHFFFAOYSA-N	222.310	-0.503	50	10	BBGE	
CNC1(C(=O)NC[C@H]2C[C@@H]2Cl)COC1	1893087439	AZFAKFXJOPEBKY-RQJHMYQMSA-N	218.684	-0.282	50	10	BBGE	
CN(CCN)S(=O)(=O)NC[C@@H]1C[C@H]1Cl	1893128342	OARXTAQRWFTOCR-NKWVEPMBSA-N	241.744	-0.661	50	10	BBGE	
O=C(NC1([C@H](O)CO)CC1)[C@@H]1C[C@@H]1Cl	1893469243	HBHGXHATZRNPPR-DSYKOEDSSA-N	219.668	-0.384	50	10	BBGE	
O=C(N[C@@H]1CNC[C@H]1O)C1CC(Cl)C1	1893481575	ILSXUJGIKNFEFI-DWYQZRHDSA-N	218.684	-0.547	50	10	BBGE	
CC(C)[C@@H]1CCC[C@H]1NC(=O)C(=O)NN	1893941261	RKLQIIQETGQMSV-JGVFFNPUSA-N	213.281	-0.083	50	10	BBGE	
C=C(CN1C[C@H](F)[C@H](OC)C1)B(O)O	1895191420	NQDUAOWOGMYKCV-JGVFFNPUSA-N	203.022	-0.777	50	10	BBGE	
C[C@H](NC(=O)c1cnsc1B(O)O)C1CC1	1900440942	QIZGXDDMPPAZRO-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)[C@H]1C	1903263952	CGSASLDHSNTNOT-KYXWUPHJSA-N	229.324	-0.154	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC(=O)[C@@H]1C1CNC1	1904682769	GRRLOTWOOTZCLG-BDAKNGLRSA-N	242.710	-0.863	50	10	BBGE	
C[C@H](C[C@H]1CCOC1)n1ccc(B(O)O)n1	1905268343	ZBNUXLMUXKFOIW-RKDXNWHRSA-N	224.069	-0.450	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1F)[C@@H]1C[C@@H]1F	1907455386	IDEGUDHFMUNYTQ-RQJHMYQMSA-N	241.002	-0.198	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(CO)CC1	1915530781	GAUYEMOCTJRCER-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CN(CCF)Cc1nc(C(=O)NN)co1	1917259644	SBGNKZRFXVSGFO-UHFFFAOYSA-N	216.216	-0.321	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(F)(F)C1	1917281910	PZNKFBZZXSIYIH-PHDIDXHHSA-N	207.224	-0.048	50	10	BBGE	
C=C[C@H](CO)NC(=O)NNC(=O)C(F)(F)F	1923204207	YTIXFCGKNJBEOE-SCSAIBSYSA-N	241.169	-0.574	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]1C1CC1	1927995528	UVKKOCGAVDSKPU-BDAKNGLRSA-N	213.281	-0.524	50	10	BBGE	
CO[C@H](CNC(=O)NN)[C@@H]1CCCOC1	1930526639	XYXRJYJYHPNXKP-HTQZYQBOSA-N	217.269	-0.399	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@H](F)C1	1932163842	HKJCXDLQRWIKFW-RQJHMYQMSA-N	217.244	-0.379	50	10	BBGE	
CC(C)(CN1CC[C@@]1(C)CO)C(=O)NN	1932967345	MEDVGFOLXBIQCL-JTQLQIEISA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](CO)C[C@H]1C	1934980028	CUUARJFILCBAOI-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936090009	XUXNOBUVKRFNPX-UTINFBMNSA-N	227.308	-0.685	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936094219	LJWSEWFZUDGWHG-YIZRAAEISA-N	227.308	-0.685	50	10	BBGE	
CN(C(=O)Cn1ccnn1)[C@H]1COC[C@H]1Cl	1937146596	OSPDWMWUKHWMOQ-SFYZADRCSA-N	244.682	-0.257	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(OCC(F)F)C1	1941081308	AVNOOUSJTZPXBW-POYBYMJQSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@@H](C1=O)C2(F)F	1941087645	CMYOYDFTKKZQPK-JWXFUTCRSA-N	245.229	-0.664	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H](O)C[C@H]2C3)CC1	1945883665	CZZGTMNUFPGTCV-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@H]1C	1947052844	UUCVOAIYFYIGLO-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
CO[C@H]1CC(=O)N(C[C@@H](O)CCl)C1	1953952971	HRPJKXSKTHHABM-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
CO[C@H]1CC(NC(=O)NN)C[C@@H]1OC	1954927495	ZDORXVWIDWWOSR-BQBZGAKWSA-N	203.242	-0.648	50	10	BBGE	
CCON(C)c1nc(C)ccc1B(O)O	1961706734	ZETUXZFIRKLBGW-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
CC(C)[C@@H](NC(=O)C(=O)NN)C(F)(F)F	1962092326	XZZIJGBWJCBBDT-SCSAIBSYSA-N	227.186	-0.321	50	10	BBGE	
NS(=O)(=O)CCNC(=O)C1CC(Cl)C1	1966105626	CTAAVOUAPIUMKA-UHFFFAOYSA-N	240.712	-0.592	50	10	BBGE	
CN(Cc1ncn(C)n1)C[C@@H](Cl)C(=O)O	1975066231	PZFSVMNSMYVOOY-ZCFIWIBFSA-N	232.671	-0.061	50	10	BBGE	
Cc1cc(OCC2COC2)ccc1B(O)O	1980867038	PSVOBTXFIAFQGT-UHFFFAOYSA-N	222.049	-0.300	50	10	BBGE	
CCC1CC(Oc2ncc(B(O)O)cn2)C1	1981422538	PYFJAYCPABCRFF-UHFFFAOYSA-N	222.053	-0.276	50	10	BBGE	
CCC1CN(c2ncc(C)cc2B(O)O)C1	1981469429	SIABTSURFXIJKY-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@H]1CN(c2nc(B(O)O)cs2)C[C@@H](C)O1	1981473567	ZWLJPXHOJMQKGM-KNVOCYPGSA-N	242.109	-0.564	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC(=O)NC[C@H]1C	1985210187	VOKYFBLTTMHDGA-PHDIDXHHSA-N	247.682	-0.330	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)C1COC1	1985357533	QCHIRYIRYRDSBN-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C2CC2)C(=O)C1=O	1986913866	VRWIXKODMVLKBY-ZCFIWIBFSA-N	244.678	-0.027	50	10	BBGE	
CCCN(C)C1CN([C@H](C)CC(=O)NN)C1	1989653676	NSRIAMWKYQMXMN-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1nccs1	1990774758	NBMZMRNNIFCFKR-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@@H](O)C1	2000969237	WUNOJZCEGWPZAD-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@H](C)CO2)c(C)c1B(O)O	2001600428	NVELTRHAKYPJQU-XVKPBYJWSA-N	238.096	-0.395	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCN1CCOCC1	2003811177	HQWIPBSFNYWBKG-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1c1ncon1	2004033172	RLRDPKYKDKAQKN-MRVPVSSYSA-N	239.279	-0.023	50	10	BBGE	
CCN(CCCC(=O)NN)[C@H]1CCCNC1=O	2004308409	CJYPIOHZYXLTQD-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CN(C[C@@H]1CCCO1)c1ccncc1B(O)O	2004934574	HACZDMFOABEWEE-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CNC[C@@H]2F)CC1	2008067227	KTSQSFBIGMYYJE-BDAKNGLRSA-N	241.266	-0.579	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1cc(F)cc(B(O)O)c1	2014606623	ZCFMWZNJOTUCEU-RDDDGLTNSA-N	240.039	-0.081	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@H]1CF	2016012984	FKJFDJQOMIOQQE-XHNCKOQMSA-N	249.286	-0.950	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1ncc(B(O)O)cn1	2016811875	IHSDDBJSCLZORJ-HTQZYQBOSA-N	239.059	-0.802	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCNC(=O)[C@@H]1C(C)(C)C	2019799471	XTGSIAHTNDAFHQ-JGVFFNPUSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](NC(=O)c1ccccc1B(O)O)C(F)F	2022201115	YMZNOXYIMOXYBB-LURJTMIESA-N	243.018	-0.250	50	10	BBGE	
C=C(CN1CC[C@H](OC)[C@@](C)(OC)C1)B(O)O	2023275257	CQAFGKDQUFZPRT-QWRGUYRKSA-N	243.112	-0.320	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2026822289	VDRBVQFOTDIBOR-IVGCUFTRSA-N	231.060	-0.205	50	10	BBGE	
Cc1ocnc1C(=O)Nc1cccc(B(O)O)c1	2042248904	HBJYMGMEBXUIBU-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1cnc(-n2cnc(C3CC3)n2)c(B(O)O)c1	2052602417	JODJOJALGLUTFU-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
CC(=O)NNC(=O)CN1CCc2ccncc2C1	2074931249	JMZOLNOEFYZQJY-UHFFFAOYSA-N	248.286	-0.393	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@H]1CC[C@H]1C(=O)NN	2211839441	URJMQGGPILPTJC-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
CC(C)(CN)COc1ncccc1B(O)O	2212600064	RYFWJLGXHWGCFL-UHFFFAOYSA-N	224.069	-0.875	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)[C@@H](C)N	2212606014	MZOZLBMNWJOPSN-RITPCOANSA-N	227.048	-0.952	50	10	BBGE	
C=CCCN(C)c1nccc(B(O)O)c1F	2212606325	RXQBPEZMMHPFII-UHFFFAOYSA-N	224.044	-0.087	50	10	BBGE	
C=CCN(c1cc(B(O)O)ccn1)C1CC1	2212610660	MOPOQEFEZYYBHX-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1cc(B(O)O)ccn1	2212614264	UGYVZYHEUQTWNY-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@@H]1CCN2CC1(C(=O)NN)CC1	2213356599	RGFPYWIDZPJODZ-NGZCFLSTSA-N	239.319	-0.398	50	10	BBGE	
Cc1ncn(-c2nccc(B(O)O)c2F)c1C	2217162067	GSJDDOGEKWCUOL-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
CC(C)[C@H](N)CCNc1ncccc1B(O)O	2217176539	XMPRAVYBLYOOOI-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
Cc1cnc(N[C@H]2CNC[C@@H]2C)cc1B(O)O	2217181082	YBTOWYPVZWMLND-WPRPVWTQSA-N	235.096	-0.910	50	10	BBGE	
COCC1CN(c2cc(B(O)O)c(C)cn2)C1	2217181549	RPAAHPOAJHZZFD-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
OB(O)c1ccnc(NCc2ncccn2)c1	2217181994	XVJKBILYMMEEON-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)Nc1ccc(B(O)O)cn1	2217185225	ZLXOKEUDEMYBLG-LDYMZIIASA-N	238.096	-0.421	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1c1ccc(B(O)O)cn1	2217199465	MNPKGYREZKQRCE-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CN1	2217201822	ZTKWQFMOHCHACF-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
OB(O)c1cc(F)cc(OCCOCCF)c1	2217458212	FYCCTACKEZPSQV-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
C[C@]1(Oc2ncccc2B(O)O)C[C@H]2NCC[C@H]21	2223618458	AFNFKCRNPDWCSH-UISBYWKRSA-N	248.091	-0.719	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1ncnn1C	2223625179	CXZKZEWRDQJBGM-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
Cc1cnc(N2CC[C@@H]([C@@H](C)N)C2)cc1B(O)O	2223649207	VOYJMAQSIBEMRR-NXEZZACHSA-N	249.123	-0.757	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ccc(B(O)O)cn2)CCN1	2223652423	JBUUEYXQJHLSMS-UWVGGRQHSA-N	249.123	-0.662	50	10	BBGE	
Nc1ccccc1COc1ccc(B(O)O)cn1	2223662385	OODHDPXMUFTDSZ-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3ncccc3B(O)O)C[C@@H]12	2223677940	VIIVGCVRXGPCOE-WYOJIJJFSA-N	247.107	-0.701	50	10	BBGE	
CN(CCCO)S(=O)(=O)N1CC(Cl)C1	2241338453	MKQPPGREHJHIMY-UHFFFAOYSA-N	242.728	-0.532	50	10	BBGE	
NCC1(OC[C@@H]2C[C@H]2Cl)CS(=O)(=O)C1	2241505099	ZZBHFRSEFZYVGF-NKWVEPMBSA-N	239.724	-0.244	50	10	BBGE	
O=C(OCCl)N1CC[C@H]1[C@@H](O)CO	2241824587	KWPFMNFHFFUWJU-WDSKDSINSA-N	209.629	-0.253	50	10	BBGE	
CCCN=c1cc(B(O)O)c(Cl)c[nH]1	2242391299	BUWYZZWIQRZICI-UHFFFAOYSA-N	214.461	-0.341	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cscc1B(O)O	2243346551	AIVBSONOOAFTPQ-MRVPVSSYSA-N	237.089	-0.290	50	10	BBGE	
CC(C)=CCNC(=O)c1nscc1B(O)O	2243347284	KQMBZZQJAPQVPB-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2CCC[C@@H]21	2243361586	DCWNYKPRQNVGDN-KXUCPTDWSA-N	221.065	-0.303	50	10	BBGE	
C[C@H]1[C@@H](NC(=O)C2(B(O)O)CC2)CCN1C	2243365393	LYEQIOINWFEJRA-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
CCC[C@H](O)CNC(=O)C1CC(B(O)O)C1	2243396739	QCNFJMNWEXHTFV-HACHORDNSA-N	229.085	-0.483	50	10	BBGE	
COC1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243397081	VHHMCOLLZDGBEX-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
Cc1nnc(NC(=O)C2(B(O)O)CCC2)o1	2243397564	DVQZYUCBMUCYDE-UHFFFAOYSA-N	225.013	-0.286	50	10	BBGE	
NCCCCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417831	XGVACHDVRJQDPC-DTORHVGOSA-N	228.101	-0.515	50	10	BBGE	
C#CC[C@H](CC)NS(=O)(=O)CC(=C)B(O)O	2243420012	KRVAXOZVBAUSEG-VIFPVBQESA-N	245.109	-0.724	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)[C@H]1C[C@@H]1B(O)O	2243420014	KSQSSSXHDCERKM-VGMNWLOBSA-N	226.085	-0.892	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2CO[C@@H](C2)C1	2243426326	GQTXYQILADZYIM-JBDRJPRFSA-N	225.053	-0.903	50	10	BBGE	
C=C(CN(C)[C@H]1COC2(COC2)C1)B(O)O	2244363068	UYJPUWGFKBYULD-SECBINFHSA-N	227.069	-0.956	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C(=O)NN)C(C)C	2245132367	QAJFFSWAQZOUMT-AEJSXWLSSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1ccc(B(O)O)o1	2247741809	GENUZBKXKWJDNT-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
CCO[C@@H](C)CNC(=O)c1ccoc1B(O)O	2247743829	KBGYOJQBONZRGJ-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC=C[C@@H]1CF	2247747203	KJWPVHWMFNABRH-MRVPVSSYSA-N	238.027	-0.955	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2C[C@@H]2F)c1	2247752811	WFNNIIZDJVLHHK-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)N1C	2247755062	GKOGFAIYFVDMTB-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
C[C@H](C1CNC1)N(C)C(=O)C1CC(B(O)O)C1	2247790600	ICASWUMSGHOECK-ZNFPMYQNSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)O1	2247798869	XWBBHIABUKAEEM-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCCc1cc[nH]n1)C1CC(B(O)O)C1	2247808721	MCTMCUZPRVLGNS-UHFFFAOYSA-N	237.068	-0.679	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1COC2CC1C2	2247809067	NKZCQYFARPRMFD-SPGGCIFMSA-N	239.080	-0.515	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(B(O)O)c[nH]1	2247849381	ZGDXCNBJLZBVBU-DTWKUNHWSA-N	234.064	-0.777	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1C(=O)C1(B(O)O)CCC1	2247856741	MXBIYYHFYDCIKY-BDAKNGLRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247858657	GSMBHLSDNLNARJ-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)Nn1cccc1	2247867268	BQFIMDGTJACGKS-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
C[C@@H]1CNCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247871571	DIAQIZLAENFAIJ-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
C=CCN(CC=C)C(=O)c1coc(B(O)O)c1	2247871979	KKMHTZVUGSCFPY-UHFFFAOYSA-N	235.048	-0.226	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1occc1B(O)O	2247875385	XDSWCHWSAQHVFE-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1occc1B(O)O	2247879455	VLPOYSUVJUVVKX-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CN(CC12CC(CO1)C2)C(=O)[C@H]1C[C@H]1B(O)O	2247887435	ODTVOSWIXWROGM-UVCIYIGYSA-N	239.080	-0.513	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247893240	OLGVXSCSBRNYTF-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2C[C@@]2(O)C1	2247904868	RAQMYCJKGQCQFZ-WYOJIJJFSA-N	239.080	-0.777	50	10	BBGE	
CC[C@H](CCNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248587344	OHRSSQGXROCSOJ-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
C[C@@H](F)[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248587500	QFHJGHFVJJWJQO-JWXFUTCRSA-N	247.031	-0.833	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1cc(B(O)O)c[nH]1	2255462910	BLJKKINESOKJIV-UHFFFAOYSA-N	246.031	-0.348	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1C[C@@H]2CCCC[C@H]21	2255551620	ZXVFMYFZGUWREF-IONNQARKSA-N	249.079	-0.896	50	10	BBGE	
O=C(Nc1ncccc1F)c1cc(B(O)O)c[nH]1	2255668565	BGYXZOSRIPIWBB-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(C#CB(O)O)N1CCOc2ccccc2C1	2255679025	FDGTWYLFKBNYAI-UHFFFAOYSA-N	245.043	-0.577	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1ccoc1B(O)O	2255715541	HIQBYISKNPNLQS-QPUJVOFHSA-N	249.075	-0.121	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1cc(C)c(B(O)O)o1	2255790358	WPACZOVSIZUWOM-VIFPVBQESA-N	249.075	-0.200	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C)ccc1B(O)O	2260823393	CSGWAIMDYPGIAG-GZMMTYOYSA-N	247.103	-0.053	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H]3OCC[C@H]23)c1	2298225497	BGFRWAFIDOGBIW-UTLUCORTSA-N	234.064	-0.649	50	10	BBGE	
C[C@]1(N)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(F)F	2299950116	HYZDQLQBBQIYMD-CHKWXVPMSA-N	248.038	-0.956	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2CC[C@H]1C[C@H]2O	2300193544	GQTYHOLNYQDANU-GJMOJQLCSA-N	249.261	-0.543	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	2300201462	PMARXNZXAXPIGY-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@@H]2C[C@H](C1)O2	2300371052	LTAKVQLCRZZPGI-ZNSHCXBVSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCn1cccnc1=O	2300382545	HJTAWZIHGGIDSB-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
OC[C@@H]1CC[C@@H](CN2CC[C@H](B(O)O)C2)OC1	2303163181	ZAFWQJGUGJLOSE-DCAQKATOSA-N	243.112	-0.677	50	10	BBGE	
CC[C@@H](N)CCOc1cc(B(O)O)c(F)cn1	2303851774	GHFCEAZFBGVONU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
CC[C@H](CNC)Oc1cc(B(O)O)c(F)cn1	2303861077	MEPLKHKWWPXGNF-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
CC1(C)[C@@H](N)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2307311225	DVNILTOLIGLQRO-CIUDSAMLSA-N	240.112	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@H]21	2312517068	PYVGVPQPAWVSNK-XRZDUACRSA-N	249.314	-0.131	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H](O)C1	2317160592	FWZDVUIXPYFUGZ-GHMZBOCLSA-N	246.075	-0.437	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H](N)C1CC1	2317167639	JYGWCHIVKPGULW-NSHDSACASA-N	245.091	-0.613	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@@H]1CC[C@@H]1N	2317312530	ISKPSPOZQVRKQM-NWDGAFQWSA-N	248.091	-0.895	50	10	BBGE	
CN[C@H]1C[C@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317349644	GRMSUKWBYNJUNX-HOMQSWHASA-N	249.075	-0.692	50	10	BBGE	
N[C@@H](CCCCNC(=O)CCl)C(=O)O	13533666	KCDXJEKVRCLOPU-LURJTMIESA-N	222.672	-0.076	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H](O)C2)cs1	82468700	WWKSWCZFLKNMTI-SSDOTTSWSA-N	242.304	-0.687	50	10	BBGE	
CCN(CCO)Cc1cc(C(=O)NN)no1	82468830	HEVDGZPQFYQYMQ-UHFFFAOYSA-N	228.252	-0.908	50	10	BBGE	
CNC(=O)c1ccn([C@@H](C)CCC(=O)NN)n1	85196475	VXNSSQBVMQPZFG-ZETCQYMHSA-N	239.279	-0.426	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CCCN1C	86190398	AVKSCQQLWLDWKD-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@H](Sc1nccc(=O)[nH]1)[C@H](C)C(=O)NN	86313944	ZKDGJPAVFDHOSX-WDSKDSINSA-N	242.304	-0.124	50	10	BBGE	
CCN(CCCO)C[C@H](C)C(=O)NN	124934516	BBMBTUMRSIHCMO-QMMMGPOBSA-N	203.286	-0.683	50	10	BBGE	
CN[C@H]1CCCN(P(N)(N)=O)C1=O	148888509	BDQXVLSWQNTZOX-YFKPBYRVSA-N	206.186	-0.778	50	10	BBGE	
CCC[C@H](C(=O)NN(C)C)/C(N)=N/O	149698992	CWRXZLSQQXUNKI-LURJTMIESA-N	202.258	-0.258	50	10	BBGE	
CSCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	167809215	NFDJBDGTEAXETG-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
COC(=O)CSc1cccc(B(O)O)c1	204503449	HANMAPWZPHVMHW-UHFFFAOYSA-N	226.062	-0.369	50	10	BBGE	
CN(C)C[C@](C)(O)CNC(=O)CCl	227941282	QJFIJNHROQGLNG-MRVPVSSYSA-N	208.689	-0.346	50	10	BBGE	
CCCNS(=O)(=O)c1cccc(B(O)O)c1	230819266	PPMPBKADEZCFSX-UHFFFAOYSA-N	243.093	-0.945	50	10	BBGE	
C=CCN(CC=C)[C@@H](COC)C(=O)NN	232419174	LTVBRMCMJHAZRH-VIFPVBQESA-N	213.281	-0.335	50	10	BBGE	
CCC(CO)(CO)NS(=O)(=O)CCl	233049046	YTOMSHHKLIKXAR-UHFFFAOYSA-N	231.701	-0.765	50	10	BBGE	
COC(=O)[C@@H](Br)CNCCCO	234569067	QFLWZHCTSPPECM-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@H]1C(N)=O	251290373	HMQFLGCIFZHCBY-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
Nc1cc(-c2ccc3c(c2B(O)O)OCO3)on1	258492330	YTVNAZLSHLZBMM-UHFFFAOYSA-N	248.003	-0.668	50	10	BBGE	
C/C(=N\NC(N)=O)c1ccn(C)c(=O)c1	308686709	LVDQWPWKNXXEKR-IZZDOVSWSA-N	208.221	-0.222	50	10	BBGE	
CC1(C)COC(c2ccccc2B(O)O)=N1	380520434	XJTVRWMMSLAUTH-UHFFFAOYSA-N	219.049	-0.078	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@](C)(CO)C1	381327352	AJIDIKOHXIMRRD-MWLCHTKSSA-N	229.324	-0.295	50	10	BBGE	
CCC(C=NNC(N)=O)=NNC(N)=O	383954293	AEWPYYRIOKHQTR-UHFFFAOYSA-N	200.202	-0.925	50	10	BBGE	
COC[C@@]1(C(=O)NN(C)C)CCNC1	393690923	PNWDFXCZYNDNSY-SECBINFHSA-N	201.270	-0.795	50	10	BBGE	
O=CCCc1c(B(O)O)cccc1C(=O)O	396136567	ZENJAXYEZHZDEW-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Cc1cc(CCC(=O)O)cc(B(O)O)c1	396142311	QYSQMRIJAQHHII-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ccncn1	396629438	LKMILKFISGSFQJ-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
O=C(CCCl)NC[C@@H]1CNC(=O)C1	398350682	SEPPKZDOFSRUBX-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1CCCOC1	401393375	LOKKUOLVRGCGEQ-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CC[C@H]1CO[C@H](CC)CN1CC(=O)NN	403845201	UUBMEOVALJWWIO-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)c1csc(N2CC[C@@H](B(O)O)C2)n1	585079360	ZBLKVEMAQORBLX-RXMQYKEDSA-N	241.081	-0.705	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CCC[C@H]1OCC2	687519634	DILYYDALQLPAQE-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CS(=O)(=O)N1CCN(CCl)CC1	689684690	GGUWXCXNBIKHOW-UHFFFAOYSA-N	212.702	-0.240	50	10	BBGE	
CC(C)(CN1CC2CC1(CO)C2)C(=O)NN	694582618	GWOSKDJKVNNJHI-UHFFFAOYSA-N	227.308	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2C[C@H]2C1	699269623	LIZFBDVXNKAPFW-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
NC(=S)NNC(=O)c1n[nH]c(C2CC2)n1	700865381	HRJSTZFPFANBER-UHFFFAOYSA-N	226.265	-0.840	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CCC[C@H]1O	703477234	VHQWPPLIHBLKDD-FNCVBFRFSA-N	225.244	-0.184	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccsn1	705777068	WFEBXEQGRJOZOL-QMMMGPOBSA-N	244.320	-0.420	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1cc(B(O)O)ccn1	707719097	IKJBRPYYAXYTPD-WRWORJQWSA-N	234.064	-0.254	50	10	BBGE	
CNC(=O)Nc1ccc(B(O)O)cc1OC	712347305	KZNJITZIRPMIBX-UHFFFAOYSA-N	224.025	-0.874	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CCO[C@@H]1C(=O)O	715509936	CVFILOAIEWGPEI-RQJHMYQMSA-N	231.252	-0.748	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H](CO)CN(C)C	716787790	WSXYNOFSJKNDRU-JGVFFNPUSA-N	222.716	-0.100	50	10	BBGE	
O=C(CCl)NCc1cn(C2CNC2)nn1	722410292	OGPDNIXUXALTIL-UHFFFAOYSA-N	229.671	-0.723	50	10	BBGE	
CCCC(=O)NCC(=O)NNc1nc[nH]n1	816633989	UUTSMMRZGPFTAL-UHFFFAOYSA-N	226.240	-0.836	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1n[nH]cc1F	910182104	HYPFYYKAMPOAOE-YFKPBYRVSA-N	216.216	-0.494	50	10	BBGE	
O=C(NNC(=O)N1CCOCC1)[C@H]1CC12CC2	1136452993	PVQRMJSJYALYOS-MRVPVSSYSA-N	239.275	-0.141	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1ccc(C#N)cc1	1292358457	JULMYNDHYFDCQX-JTQLQIEISA-N	245.238	-0.134	50	10	BBGE	
C#CCSCC(=O)NNC(=O)c1cn[nH]c1	1461837533	PZNOEEJUXJTVHQ-UHFFFAOYSA-N	238.272	-0.463	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cnnc(O)c1	1544265795	SWDLGRWCDSOHTC-UHFFFAOYSA-N	225.208	-0.902	50	10	BBGE	
Cc1cc(NNC(=O)c2ccnnc2)nc(N)n1	1558034990	XLNDZUHKZOOXSF-UHFFFAOYSA-N	245.246	-0.086	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1cnncc1O	1618665199	BXJBMJYYVZKVNC-UHFFFAOYSA-N	224.220	-0.401	50	10	BBGE	
C=CCCCC(=O)NNC(=O)c1cnn[nH]1	1627298193	DOWLQPVTOIETKL-UHFFFAOYSA-N	223.236	-0.078	50	10	BBGE	
COc1ccc(NNC(=O)Cn2ncnn2)cc1	1650777778	SZJJMSCJRWXODN-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
C[C@@H](Cl)CNC(=O)C[C@H](N)C(=O)O	1865996299	LVNYDHBAGCYCPO-UHNVWZDZSA-N	208.645	-0.468	50	10	BBGE	
C[C@H](N)CS(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883564064	PWBDFASKOOESQW-LYFYHCNISA-N	226.729	-0.120	50	10	BBGE	
CS(=O)(=O)[C@H]1COC[C@H]1NC(=O)F	1884249814	OKDJZSGZUKCIIP-UHNVWZDZSA-N	211.214	-0.523	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@@H](O)C[C@H]1CO	1886223651	NEUHYTSVKJVIGR-RULNZFCNSA-N	219.668	-0.432	50	10	BBGE	
C[C@@H](N[S@](C)=O)c1cscc1B(O)O	1886862851	QWNIHLNNONAZCE-YYNRFHATSA-N	233.123	-0.628	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC([C@H](O)CO)C1	1887273013	FXWJRGPMQHOKIL-JGVFFNPUSA-N	221.684	-0.185	50	10	BBGE	
CN1C[C@@H](NC(=O)NN)CCCC1=O	1887641207	GCJPVLPDEINVIY-LURJTMIESA-N	200.242	-0.830	50	10	BBGE	
O=C(O)COCCNC(=O)[C@H]1C[C@H]1Cl	1893475386	SSUXHKMQYBYECX-NTSWFWBYSA-N	221.640	-0.169	50	10	BBGE	
COCCCOCCOC[C@H](C)C(=O)NN	1901430997	RYYNOXZBAIADCY-VIFPVBQESA-N	234.296	-0.318	50	10	BBGE	
CCCN(CCC)NC(=O)CN1CC(N)C1	1901998103	SUQWXGQBNZFNRZ-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
C[C@H](O)CN(C(=O)C(=O)NN)C1CCCC1	1902645169	JPVCSXZAFSREHD-ZETCQYMHSA-N	229.280	-0.872	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H](F)C1	1904996050	HYOYWWQZTZKDCM-YIZRAAEISA-N	233.287	-0.329	50	10	BBGE	
CC[S@@](C)(=O)=NCc1cccc(B(O)O)c1	1913884966	XHDWCZZYTVQNPT-MRXNPFEDSA-N	241.121	-0.016	50	10	BBGE	
OB(O)c1ccc(CN2CC(F)(F)C2)cc1	1917266312	IIGJAHSMDOWLTD-UHFFFAOYSA-N	227.019	-0.183	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC1CN(C(N)=O)C1	1917792366	YZOVYDAAXSXLHI-BYPYZUCNSA-N	248.670	-0.798	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)N1CCC1	1923407969	NVJRQVZKIBUMED-UHFFFAOYSA-N	211.143	-0.005	50	10	BBGE	
C[C@H]1C[C@@H](C)N(CCOCC(=O)NN)C1	1928179184	NIGYFKNPOHQLOM-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
Cn1nnc(C(=O)N2CC[C@H]2CCl)n1	1929735591	JWRXQBKQXYTALC-YFKPBYRVSA-N	215.644	-0.337	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1csnn1	1930600531	GKFGHICBTGSVBT-ZCFIWIBFSA-N	229.309	-0.262	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)OCCl	1931196984	WUSUDRUPBGTIMZ-UHFFFAOYSA-N	244.700	-0.200	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)C[C@@H]1F	1932370196	AKKAYGXDMPBQRS-SFYZADRCSA-N	219.260	-0.717	50	10	BBGE	
CCc1c(C(=O)NNCCO)cnn1C	1932474922	ZSDZOKLXRUUNJW-UHFFFAOYSA-N	212.253	-0.791	50	10	BBGE	
C#CCN(CCCl)Cc1nnn(C)n1	1933494974	SGUCKHPCZSJVIO-UHFFFAOYSA-N	213.672	-0.116	50	10	BBGE	
N#CCCN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC1	1936083613	JGFFKPSCVVCBFZ-WPRPVWTQSA-N	222.292	-0.010	50	10	BBGE	
COC[C@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936090411	IVCGCSGHNUHJIC-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CC[C@@]2(C(=O)O)C1	1938370657	RQFUBRGXCCFRGA-GMSGAONNSA-N	227.264	-0.031	50	10	BBGE	
OB(O)c1cccc(CN2CC3CC2C3)c1	1938564007	RURXGTHEJFQTDZ-UHFFFAOYSA-N	217.077	-0.039	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C(=O)NN)C1(C)C	1939687639	WNWSSFQBGDPVOR-BQBZGAKWSA-N	229.280	-0.846	50	10	BBGE	
CCON(C)CCOc1cccc(B(O)O)c1	1942617294	XCNNJAYCFGSWFD-UHFFFAOYSA-N	239.080	-0.372	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@@]2(C)C1=O)C(=O)NN	1946988855	HQTVSKQMFLYGFT-UPONEAKYSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](Br)C(=O)N1CC(O)(CO)C1	1953700183	KFKAPUXTXCTYBJ-YFKPBYRVSA-N	238.081	-0.665	50	10	BBGE	
OC[C@]1(O)CCCN(C[C@@H](O)CCl)C1	1956260850	RLYQULPQGRFGMT-IUCAKERBSA-N	223.700	-0.595	50	10	BBGE	
CCOC(=O)NS(=O)(=O)N1CC(Cl)C1	1956896652	QIFDZTAJAGSRJS-UHFFFAOYSA-N	242.684	-0.100	50	10	BBGE	
C[C@@H](CN1C(=O)[C@@H]2C=C[C@H]1C2)C(=O)NN	1958748145	OTZLTAYUJDOHDR-RNJXMRFFSA-N	209.249	-0.601	50	10	BBGE	
CCO[C@@H]1C[C@H](OC)CN(C(=O)NN)C1	1960258927	MUPRFFZQSPWBRK-JGVFFNPUSA-N	217.269	-0.305	50	10	BBGE	
CCC[C@@H]1COCCN1CCC(=O)NN	1961276964	LWQPNTWUMJLVKY-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
O=C1NCCN(S(=O)(=O)CCl)C12CC2	1969704364	LURNXUTZEJLERI-UHFFFAOYSA-N	238.696	-0.523	50	10	BBGE	
CCCN1CC[C@H](N(C)CCC(=O)NN)C1	1976570102	KWCFDZKSVRSEAW-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CON([C@@H]1CCOC1)[C@H](C)[C@@H](C)C(=O)NN	1978750108	LKKODWYWIAJURL-IWSPIJDZSA-N	231.296	-0.347	50	10	BBGE	
Cn1nnc(C(=O)N2CC([C@@H](F)CCl)C2)n1	1979530965	BPLHMPWLVPADTJ-LURJTMIESA-N	247.661	-0.141	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]([C@H]2CCCO2)C1	1981082214	HZVZPNWPYJLFRI-NXEZZACHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@H](C)N(CC)c1ncncc1B(O)O	1981415265	BXVPQXDEMIWAAV-QMMMGPOBSA-N	223.085	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(OC2CCCC2)n1	1981418020	HRAJPDSATNOBIU-UHFFFAOYSA-N	222.053	-0.214	50	10	BBGE	
Cc1nc(OCCC(C)C)ncc1B(O)O	1981420204	HMJXRVFKIOMTNM-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
OB(O)c1cnccc1Sc1ccncn1	1981465575	OIIWGWUAFNRYHB-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
CC1(C)[C@H]2CN(c3nc(B(O)O)cs3)C[C@@H]21	1981468779	IIWWXLQAONYYIM-BQBZGAKWSA-N	238.121	-0.085	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)[C@@H]1C[C@H]1C	1981531330	WKPGVQYLXMLOAG-GMSGAONNSA-N	220.081	-0.086	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)N1CCCC1	1991331326	ZMLZKGGFOKHAPH-VIFPVBQESA-N	224.069	-0.107	50	10	BBGE	
COC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1Cl	1991678578	GMVVGQIUROOYTR-KVQBGUIXSA-N	249.650	-0.254	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@@H](CCO)C1	1991705525	FZPPIWWIPVMJDZ-CMLYIYFCSA-N	246.694	-0.509	50	10	BBGE	
C=C(CN1CCN(C(C)(C)C)CC1)B(O)O	1992159387	JUUUSGDDDDRKHJ-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C=C(CN1CC[C@@](COC)(OC)C1)B(O)O	1992167642	NUXOZCOEJOFFDR-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)C1(F)CC1	1994974364	VNDQJBMFGZAYDA-UHFFFAOYSA-N	243.068	-0.454	50	10	BBGE	
CCc1noc(CN(C)C[C@H](C)C(=O)NN)n1	1997740984	VQLLNQDSIZNAPU-ZETCQYMHSA-N	241.295	-0.310	50	10	BBGE	
CCC(C)(C)NC(=O)N[C@H](CB(O)O)C(=O)O	1998131649	XFBYTKJOVMUTTG-ZCFIWIBFSA-N	246.072	-0.600	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1Cc2cnn(C)c2C1	2003028475	VZARZWUANRLBBK-HTQZYQBOSA-N	237.307	-0.250	50	10	BBGE	
Cc1nc(O[C@]2(C)CCOC2)ccc1B(O)O	2004924546	DBYHTQFJPRQEDE-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@]2(C)CCOC2)n1	2004930398	TZMMXMKHPBXSSD-LLVKDONJSA-N	237.064	-0.372	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCC23COC3)n1	2004972573	HRBXIOHIZRHYKT-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CC[C@@H](OC[C@H]1COC(C)(C)CO1)C(=O)NN	2009656734	QTHVBVOJGAHBTH-DTWKUNHWSA-N	246.307	-0.035	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2COC[C@H]21	2013468825	QARZDCKHSWUSMK-ZYHUDNBSSA-N	233.076	-0.803	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CCCN2C)C1	2013599430	CEPVRARUEABGRZ-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
Cc1ccnnc1CN(C)C[C@H](C)C(=O)NN	2017627889	OOPDZMNEHVYDIB-VIFPVBQESA-N	237.307	-0.157	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)N(C)[C@H](C)C1	2019213976	XWCVMCKTTPARAZ-DTORHVGOSA-N	242.323	-0.822	50	10	BBGE	
CN1CC[C@H](C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020061919	MDGBXXFTBOEMPO-WCBMZHEXSA-N	238.096	-0.845	50	10	BBGE	
COC[C@H](C)CC(=O)N[C@H]1CCC=C1B(O)O	2020067473	HXUPHRDDGPYZIP-SCZZXKLOSA-N	241.096	-0.124	50	10	BBGE	
CC1(C)OCCC[C@@H]1C(=O)NCC#CB(O)O	2021113939	KFFHYHIYUJUNAA-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)ccc1F	2022200299	RIOQAVHUJJYTRR-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
OB(O)c1cccnc1N1Cc2ncsc2C1	2023211148	SRJRWDWMFBXPIY-UHFFFAOYSA-N	247.088	-0.262	50	10	BBGE	
Cc1ccc(CN(C)C[C@@H]2C[C@H]2C(=O)NN)nn1	2029088781	FLCCCUQFZAKSTP-GXSJLCMTSA-N	249.318	-0.157	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)c1cnco1	2031811859	ZVEXNMWBMTTYPH-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CN(CCN1CCCC1)c1ccncc1B(O)O	2052498571	GHKGPDTZZJDQGX-UHFFFAOYSA-N	249.123	-0.707	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)C[C@H]2C[C@H]2C)n1	2052620735	XMFRKIXLYKIMCI-GMSGAONNSA-N	249.123	-0.135	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2052627276	JOGXPGBVOGWJBL-AOOOYVTPSA-N	247.107	-0.381	50	10	BBGE	
N#Cc1nccn1C[C@@H]1CCC[C@H](C(=O)NN)O1	2073541857	NOHOERFVIFRBQK-DTWKUNHWSA-N	249.274	-0.318	50	10	BBGE	
O=C(NCc1cc[nH]n1)c1ccccc1B(O)O	2079008737	MBFBSGJFPRADBE-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O=C(F)N1CCN2C(=O)COC[C@@H]2C1	2209873591	VLAMOOLWSLSAOI-LURJTMIESA-N	202.185	-0.381	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](N(C)C)C2(CC2)C1	2211492951	IXYBDVOASGGEIZ-BDAKNGLRSA-N	226.324	-0.609	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H](CO)CC1CC1	2213909596	AUTFAWLCSNVAGM-VHSXEESVSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COC[C@H]32)CCC1	2216528552	PZGHRNDZNMOZOQ-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CO[C@H]1C[C@@H](CNc2ncccc2B(O)O)C1	2217171831	FQQBCBCEKXJWQG-DTORHVGOSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1cnc(NCc2ccccn2)nc1	2217172994	NTZXVJCSLQDNAN-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
NC[C@@H](Nc1nccc(B(O)O)c1F)C1CC1	2217180986	MTJROECCKMHLFS-MRVPVSSYSA-N	239.059	-0.950	50	10	BBGE	
C[C@@H]1NCCC[C@@H]1Nc1ccc(B(O)O)cn1	2217181910	WZCJMELDSSSYOZ-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
CC[C@@H](COC)Nc1nccc(B(O)O)c1F	2217184727	VSULCLXQIKPJTJ-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
C[C@H]1CC[C@H](Oc2ncccc2B(O)O)CN1	2217185374	WCVKGSKAQWWFNY-IUCAKERBSA-N	236.080	-0.719	50	10	BBGE	
CCN[C@@H](C)CNc1nccc(B(O)O)c1F	2217186415	KDZKNEFVIYJTNX-ZETCQYMHSA-N	241.075	-0.690	50	10	BBGE	
CNC[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)C1	2217186443	KKXXQNPXYUJOMS-WAAGHKOSSA-N	236.080	-0.862	50	10	BBGE	
C[C@]1(CNc2cc(B(O)O)ccn2)CCOC1	2217199947	PQHSBIJRCGWICC-LLVKDONJSA-N	236.080	-0.400	50	10	BBGE	
OB(O)c1ccnc(N2CC3(C2)CC3(F)F)c1	2217200245	RTOVWFFJEWKZEL-UHFFFAOYSA-N	240.018	-0.393	50	10	BBGE	
CCN(CC(C)(C)O)c1ncccc1B(O)O	2217202528	KOQHHQIKQSGOKD-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)c1cc(B(O)O)ccn1	2223633403	WHVRDFDKARHXNI-CKYFFXLPSA-N	248.091	-0.768	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](O)[C@@H]2C2CC2)c1	2223668670	ZPLXXVMTPHYQEN-JQWIXIFHSA-N	248.091	-0.889	50	10	BBGE	
NS(=O)(=O)CCN[C@H]1C[C@H](Cl)C1	2241668618	DKGQXPYNRPWCGO-IZLXSQMJSA-N	212.702	-0.366	50	10	BBGE	
C[C@H](CF)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2241734492	ZFZWGIBCBFOILZ-VQVTYTSYSA-N	203.022	-0.334	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)[C@@H]1C	2242160555	RKWISQXIXQLCKB-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CO1	2243364459	XJWYRPRQQSZNLW-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CC(C)CN(CCO)C(=O)[C@H]1C[C@@H]1B(O)O	2243391070	FWJGYNBJNCZPJN-IUCAKERBSA-N	229.085	-0.674	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2243391144	HACKAAUDSIGSAV-UYXSQOIJSA-N	227.069	-0.467	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1nccn1C	2243397371	ZVYFKHXPRYAQPN-NKWVEPMBSA-N	223.041	-0.754	50	10	BBGE	
CS[C@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)C1	2243401186	NMZXHJCFVJGZJC-BDAKNGLRSA-N	241.121	-0.256	50	10	BBGE	
CSC1CN(C(=O)c2ccc(B(O)O)o2)C1	2243401465	RMCBOCCPUJPCKA-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
CC(C)N(CC(F)(F)F)C(=O)C#CB(O)O	2243403646	ANMDBIAQSPFUOG-UHFFFAOYSA-N	236.986	-0.199	50	10	BBGE	
O=C(Nc1cnns1)c1ccoc1B(O)O	2243404753	TWPKINDIIQWQMK-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2243409121	BGQAUWMARVFOPT-ZETCQYMHSA-N	227.069	-0.635	50	10	BBGE	
C[C@H]1CCN(C(=O)c2nscc2B(O)O)C1	2243411002	MAMBQALIBSNSJO-LURJTMIESA-N	240.093	-0.695	50	10	BBGE	
CC[C@@H](O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420619	WISJMWQKPQTIML-FNCVBFRFSA-N	229.085	-0.485	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSCC2COC2)O1	2244506219	VIZKZAXSLBXYNO-IUCAKERBSA-N	246.332	-0.097	50	10	BBGE	
C[C@@H](CN(C)[C@H](C)CCN(C)C)C(=O)NN	2245099008	YKDASQTYEHUIML-VHSXEESVSA-N	230.356	-0.116	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@@H](C)CCC(=O)NN	2245132517	SOIUXLMGOANBGZ-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CNCCN(C)c1cc(B(O)O)c(Cl)cn1	2245912744	GLMOXQOVQLMNQX-UHFFFAOYSA-N	243.503	-0.930	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2247737920	LWJKJEUZGHEETF-CPCISQLKSA-N	235.048	-0.559	50	10	BBGE	
CC(C)[C@H]1CCN1C(=O)c1ccc(B(O)O)o1	2247740741	OTMLTRSWHVLLTP-MRVPVSSYSA-N	237.064	-0.170	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1ccc(B(O)O)o1	2247743427	DGCXIXIPZJHSDH-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@H]1O	2247757721	RFVDNJKHMASOHE-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
O=C(NCC1CCCC1)c1occc1B(O)O	2247759298	ZVDOOPUIGUIDDJ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC1CC(C)(NC(=O)c2n[nH]cc2B(O)O)C1	2247782069	QKXZGZGFKPJIKF-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)CO	2247786951	IXQRYWHGLONYFO-XHNCKOQMSA-N	243.112	-0.237	50	10	BBGE	
CC[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)O1	2247796729	CCOXAUSHGNCLIH-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
O=C(Nc1noc(C2CC2)n1)[C@H]1C[C@H]1B(O)O	2247797763	MPMIGPOYLOIKEH-NTSWFWBYSA-N	237.024	-0.252	50	10	BBGE	
CN(C[C@]1(F)CCOC1)C(=O)[C@H]1C[C@H]1B(O)O	2247800094	LDRCGGNCZJAVTO-QXFUBDJGSA-N	245.059	-0.564	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCCCC12CNC2	2247808613	VNRZICIPKZIWJB-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2247809773	RGFNPQDTCSJQCQ-SQXHDICFSA-N	239.080	-0.779	50	10	BBGE	
C#CCC1(NC(=O)C#CB(O)O)CCCCC1	2247849065	UTASPMQXTXIQNX-UHFFFAOYSA-N	233.076	-0.156	50	10	BBGE	
COCC[C@H](C)NC(=O)c1coc(B(O)O)c1	2247871337	ZTBCUEZYTPHCSN-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C(C)(C)CN1	2247871668	FXDMIHRMRVQGFJ-QMMMGPOBSA-N	240.112	-0.408	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@H](F)C1	2247872240	PDLKSEUIWXKNOE-QMMMGPOBSA-N	241.027	-0.467	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CN1C	2247898748	HKUVDOMVABSFOF-KYXWUPHJSA-N	240.112	-0.600	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1ccccc1B(O)O	2247973725	VJTDEUWTEQGHCR-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC[C@H]1C(F)F	2249164787	NSSPLPBHJRWJQT-HTQZYQBOSA-N	245.034	-0.201	50	10	BBGE	
O=C(NOCC1CCC1)c1cocc1B(O)O	2249425920	LZKDESWVORSDNK-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)s2)CCC1	2250674294	LGJQJRDAOJYFEM-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc(B(O)O)c[nH]1	2255459535	IBMKLNOIDIDKFD-FXBDTBDDSA-N	248.091	-0.387	50	10	BBGE	
C#CC#CCNC(=O)c1ccc(C)c(B(O)O)c1	2255508834	DVXGRIGZARQMFN-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@@H]21	2255511678	NISQEXOFZXSXPQ-WPRPVWTQSA-N	248.091	-0.578	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ccc(B(O)O)cn1	2255517089	ABCZJYHLGLFJEZ-GFCCVEGCSA-N	248.091	-0.320	50	10	BBGE	
CC(=O)NC(=O)c1cc(B(O)O)cc(C(C)C)c1	2255528461	AXVOVPNHORUFMG-UHFFFAOYSA-N	249.075	-0.234	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2255672637	JXUPQWAPFULWEE-MYQHRXMXSA-N	246.075	-0.825	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1C=CCC1	2255721283	WBTSICCQHXJDJX-SECBINFHSA-N	249.075	-0.036	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(C[C@@H]2C[C@H]2C(=O)NN)C1	2298082889	HSTFTTIFQDAAAZ-NZFPMDFQSA-N	241.335	-0.296	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2298376727	LIZJEAFDDKZJEU-SGIHWFKDSA-N	240.112	-0.552	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2299514275	GHQJBJGHURHSIL-GUBZILKMSA-N	243.112	-0.141	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299582718	GKSNYCSKPVSWKV-DJLDLDEBSA-N	241.096	-0.362	50	10	BBGE	
CC[C@H]([C@H]1CCCCO1)N(C)C(=O)C(=O)NN	2300298341	IPZAGASIMVHTLG-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](NC(=O)C1(B(O)O)CC1)CO2	2300499641	RHNGYRGBDVTMLE-OYNCUSHFSA-N	239.080	-0.323	50	10	BBGE	
CC1(Oc2ccc(C=O)c(B(O)O)c2)COC1	2301421469	UVQCZVZDDVURCE-UHFFFAOYSA-N	236.032	-0.653	50	10	BBGE	
C[C@@H](CN1CC[C@H](B(O)O)C1)N1CCOCC1	2303154399	KDZPKMAFUINSJZ-QWRGUYRKSA-N	242.128	-0.744	50	10	BBGE	
C=CC[C@@H](Oc1ncccc1B(O)O)[C@@H]1CCN1	2314244950	IGTZCJUVOGUOKU-WDEREUQCSA-N	248.091	-0.553	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@H]1C[C@H]2O	2315479715	CPPZSRBCZIUQAQ-WCABBAIRSA-N	248.091	-0.889	50	10	BBGE	
Cc1ccnnc1C(=O)N1CC[C@@](C)(B(O)O)C1	2319676147	BSLDIDMYERJTMO-LLVKDONJSA-N	249.079	-0.136	50	10	BBGE	
NNC(=O)Cn1nc(O)c2ccccc2c1=O	70162896	KNOZCNHEJQBWCY-UHFFFAOYSA-N	234.215	-0.908	50	10	BBGE	
NNC(=O)CCCCCn1ccc(=O)[nH]c1=O	71292152	NNGSYBYHHLZVHQ-UHFFFAOYSA-N	240.263	-0.913	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CCN(C)CC1	82466471	ISZFCKNIQZNNIJ-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCN(C)C1)C(=O)NN	82468779	JONUGBYJGWGXIN-VHSXEESVSA-N	228.340	-0.504	50	10	BBGE	
CCN(CC(=O)NN)Cc1ccncc1	82469735	ONHCRSOYCBPQBD-UHFFFAOYSA-N	208.265	-0.107	50	10	BBGE	
CCCN(CCO)CCCCC(=O)NN	82469875	IINLEASMRJUKDU-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
O=C(CBr)NC[C@H]1COCCO1	82510818	CDAUHKQNZDRNJI-LURJTMIESA-N	238.081	-0.087	50	10	BBGE	
CCOCCN(C)C[C@H]1CC[C@H](C(=O)NN)O1	158446215	MGAITXIVCVSXPJ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCCCCCOCC(=O)NNC(=O)CO	182764519	GFLXIZSZPDLBIK-UHFFFAOYSA-N	232.280	-0.277	50	10	BBGE	
O=C1CCCC[C@H](C(=O)NNc2ncccn2)N1	193769984	DGWZUCQUQOFEKQ-MRVPVSSYSA-N	249.274	-0.022	50	10	BBGE	
C[C@H](N)c1nnc(-c2cccc(B(O)O)c2)o1	211390582	QRHHJGUKNNVXGE-LURJTMIESA-N	233.036	-0.564	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](NC(C)=O)C1	229803693	SRKQPROTECBWIF-ZJUUUORDSA-N	242.323	-0.645	50	10	BBGE	
COc1cc(OC)nc(NC(=O)NN)n1	232224000	DYNYGUALYZXGQP-UHFFFAOYSA-N	213.197	-0.511	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccncc1	232419243	CGCATCPOTBGKLZ-JTQLQIEISA-N	238.291	-0.482	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)N1CC(O)C1	235109239	GBOFHVCPGQUEFY-LURJTMIESA-N	227.713	-0.132	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](CC(=O)NN)C(=O)O	238141736	DUHFRFGVPJMBPN-RXMQYKEDSA-N	247.251	-0.656	50	10	BBGE	
CN1CC[C@H]([C@@H](N)CC(=O)NN(C)C)C1	259146458	UJADUGYJFWBIDY-IUCAKERBSA-N	214.313	-0.752	50	10	BBGE	
NC1(c2ccc(B(O)O)cc2Cl)CC1	306362640	UHUJYQUCFVLALQ-UHFFFAOYSA-N	211.457	-0.032	50	10	BBGE	
O[C@H](CCl)CN1CCOC[C@H](O)C1	306651389	CGWKDRVNEIQJJN-HTQZYQBOSA-N	209.673	-0.721	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1COC[C@@H]1O	307493820	AZJZOLNEWWFFAB-QYNIQEEDSA-N	207.657	-0.263	50	10	BBGE	
CC(C[C@@H](S)C(=O)O)=NNC(N)=O	308068838	ZVXLFDXWEPMUIP-SCSAIBSYSA-N	205.239	-0.196	50	10	BBGE	
C#CCS(=O)(=O)NNC(=O)OCC	308386956	XOAXIMUEBRLGHY-UHFFFAOYSA-N	206.223	-0.800	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1CCCC(=O)NN	380342879	OWEAZFHHMHDPPA-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CN(C)CC1CN(Cc2ccccc2B(O)O)C1	382279751	KPGABPFFUGXWRY-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
CCOCCCN(C)[C@H](COC)C(=O)NN	382865955	NYTJHBAFVAMMPV-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H]2CCC[C@@H]21	393469874	FNUBIIQLGMBEPZ-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C2COCC1COC2	399943948	VUWOKVGZVLMWNQ-UDNWOFFPSA-N	243.307	-0.900	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)CCC(=O)NN	687462367	PIGCBDJJQJNFKW-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CN(CCO)CC1CC1)C(=O)NN	690928315	WDUIWWSHUQMZCL-QMMMGPOBSA-N	215.297	-0.683	50	10	BBGE	
C#CCNC(=O)CN1CCC(O)(C#N)CC1	692133614	KSNBOSHOCCTHNA-UHFFFAOYSA-N	221.260	-0.914	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1CN(C)C1	692717252	CIAILTVEWMETCP-SECBINFHSA-N	214.313	-0.752	50	10	BBGE	
O=C(Cc1cn2ccccc2n1)NCB(O)O	702007929	QNTVBMXPBRGHLZ-UHFFFAOYSA-N	233.036	-0.995	50	10	BBGE	
Cc1ccc(NC(=O)c2cnc[nH]2)cc1B(O)O	709748287	QFQXRQMSLKGYEZ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
NCCCCSC[C@@H]1CC[C@H](C(=O)NN)O1	723639684	UBKUUSOFTSVMKL-DTWKUNHWSA-N	247.364	-0.004	50	10	BBGE	
C[C@H](N[S@+]([O])(=O)CCl)c1c[n+](C)n[nH]1	725702749	DLVUBYHZYZGELA-UWORMDEDSA-O	239.708	-0.159	50	10	BBGE	
COCC(=O)NN=Cc1cn2cccnc2n1	761821283	FMMISMULNVVEGI-UHFFFAOYSA-N	233.231	-0.174	50	10	BBGE	
CC(=O)NNC(=O)N=c1cc[nH]cc1N(C)C	801922086	QOAYBNBKPCVBNE-UHFFFAOYSA-N	237.263	-0.258	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)O1	855355148	QIJWRMDFEZDSJK-HTRCEHHLSA-N	238.247	-0.262	50	10	BBGE	
O=C(NN=Cc1ccnc(O)c1)C(=O)NC1CC1	863075987	DFLBIWGUHINEBH-UHFFFAOYSA-N	248.242	-0.484	50	10	BBGE	
CN(NC(=O)[C@@H](O)c1cnc[nH]1)C1CC1	868962338	VQWDOXQPLNATIK-QMMMGPOBSA-N	210.237	-0.432	50	10	BBGE	
O=C(Cn1ccnc1)NNc1cccnn1	1324045534	JZMWIYYWBGQFRY-UHFFFAOYSA-N	218.220	-0.184	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ncccn1	1441046342	HTEYAGAIPPLSTN-ZCFIWIBFSA-N	226.236	-0.949	50	10	BBGE	
CSCC[C@@H](O)C(=O)NNC(=O)NC(C)C	1464571364	ALHWSDJYIKQCIA-SSDOTTSWSA-N	249.336	-0.161	50	10	BBGE	
CCO/C=C(/C#N)S(=O)(=O)c1nncn1C	1542990724	HEUZHJJVKIDACX-ALCCZGGFSA-N	242.260	-0.010	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1ccnnc1	1557463993	XGRILHWGRLDYHR-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CC(C)NC(=S)NNC(=O)c1cnn(C)n1	1618606450	KBTUUILYFHVTAL-UHFFFAOYSA-N	242.308	-0.668	50	10	BBGE	
Cn1cc(NC(=O)c2ccc(B(O)O)cc2)cn1	1629168992	VBFVPXUWIUMOML-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CNC(=O)NNC(=O)[C@@]1(C)CC1(F)F	1630972612	PCHCHOPCOHNVIV-ZCFIWIBFSA-N	207.180	-0.008	50	10	BBGE	
NC(=O)c1c[nH]nc1NC(=O)CBr	1866000862	RNPFPWAOTYKTAA-UHFFFAOYSA-N	247.052	-0.158	50	10	BBGE	
N=C(N)NC(=N)NC[C@@H]1C[C@H]1Br	1877372496	LGSPNIBSJQOALY-IUYQGCFVSA-N	234.101	-0.223	50	10	BBGE	
N[C@H]1COC[C@H]1C(=O)NC1CC(Cl)C1	1884412475	QMXGOLBKPDSIIB-CRYROECRSA-N	218.684	-0.154	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@@H](NC[C@H]2CCO2)C1	1888527041	GDTUFGQUPOHAQM-PRJMDXOYSA-N	239.724	-0.231	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1CCC(=O)NN	1890503478	KKYCLVCAKIZJDJ-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
C[S@](=O)N[C@H](CBr)C(=O)O	1892035668	MKOPOBDTGLNDTM-IWFSCCEWSA-N	230.083	-0.282	50	10	BBGE	
CO[C@H]1COCCN(C[C@H](O)CCl)C1	1893382885	UGSKKQMRTMIHOY-RKDXNWHRSA-N	223.700	-0.067	50	10	BBGE	
COCC1(NC(=O)[C@H]2C[C@H]2Cl)CNC1	1893469494	JUAXIRQDIJXCAJ-NKWVEPMBSA-N	218.684	-0.282	50	10	BBGE	
CC(C)(C)[C@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	1900270996	WARWPUIUMIKWAR-BWZBUEFSSA-N	228.101	-0.661	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C(=O)OCCl)C[C@@H]12	1900557827	HUTKGDKXMDDCCD-RFZPGFLSSA-N	218.640	-0.018	50	10	BBGE	
N#CCCC1CN(CC(F)(F)C(=O)NN)C1	1900606890	IIVAZIPKAVBGKS-UHFFFAOYSA-N	232.234	-0.153	50	10	BBGE	
O=Cc1ccc(OCC2CC2)cc1B(O)O	1901248696	KXMBHRVMUGUAHO-UHFFFAOYSA-N	220.033	-0.032	50	10	BBGE	
C[C@]1(CN2CC[C@H](B(O)O)C2)COCCO1	1902541749	ROQNSWOJXYURRJ-UWVGGRQHSA-N	229.085	-0.659	50	10	BBGE	
CC[C@@](C)(CN1C(=O)COC1=O)C(=O)NN	1902731629	IGZCOPYSRUDYDK-VIFPVBQESA-N	229.236	-0.629	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1csc(C)c1B(O)O	1902867949	MCSMXNIIGAJVFR-ZCFIWIBFSA-N	237.089	-0.512	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccc(=O)c([N+](=O)[O-])c1	1905541764	RPEVMRUZZNYDQD-LURJTMIESA-N	240.219	-0.303	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)CC(=O)NN	1906908687	QCCJIQKBHFZLRW-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
C[C@@H](C[C@@H](C)C(=O)NNCCO)C(=O)O	1910363833	KIQCUBWDUZGUOC-RQJHMYQMSA-N	218.253	-0.654	50	10	BBGE	
COCC[S@](C)(=O)=N[C@H](C)C(=O)NN	1918071534	GFVJKGNAQYCKTO-RCNPXXIZSA-N	223.298	-0.891	50	10	BBGE	
NNC(=O)CCN1CC[C@@]2(CCC[C@@H]2O)C1	1918418890	QKQUYOROTAOZIW-ONGXEEELSA-N	227.308	-0.397	50	10	BBGE	
CN(CC1CSC1)C[C@H]1C[C@H]1C(=O)NN	1927913879	OFCKGIVIPIQPKL-RKDXNWHRSA-N	229.349	-0.093	50	10	BBGE	
Cn1cnc([C@H]2C(=O)NC(=O)[C@@H]2Cl)n1	1929101936	MFPXNAGFKILXEB-IUYQGCFVSA-N	214.612	-0.838	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(OCCO)C1	1932099648	QQTHZLDQUXQKEH-ZCFIWIBFSA-N	207.657	-0.167	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(CCO)C1	1932107349	DGIXFCZINHBSOY-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
C[C@@]12C[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	1932248712	MFUPYQRWTKPNDY-SJQPAMGKSA-N	209.293	-0.046	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(SC)C1	1933239931	TURZXDDAHVIMCM-ZETCQYMHSA-N	219.310	-0.962	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@H](O)CCO1	1933454672	PTIJLNLBONKDBP-RNFRBKRXSA-N	207.657	-0.119	50	10	BBGE	
CC(C[C@@H]1CCCS1(=O)=O)=NNC(N)=O	1935049672	DPZJRYSQKBIAIV-ZETCQYMHSA-N	233.293	-0.002	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@H]21	1935707246	SEADBIMODIEMJX-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)N1C	1936094637	OUZALRCZFXRNOS-CSMHCCOUSA-N	226.280	-0.632	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CCC[C@H]1C2	1936756717	MVBNDUAPPHAPTE-GUBZILKMSA-N	227.308	-0.134	50	10	BBGE	
NC(=S)NNC(=O)C[C@H]1CN2CCC1CC2	1938322365	CPNXUYODICQZOV-QMMMGPOBSA-N	242.348	-0.417	50	10	BBGE	
CC1(C)CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1941085158	BYZKXCOUEJGNEM-NKWVEPMBSA-N	239.275	-0.603	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1CC[C@H]2O	1941288803	RLTVBJUCVXCMET-FBDQPXRJSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@]23CC[C@@]2(COC3)C1	1942758313	TVKNTWDYFFGDDI-USWWRNFRSA-N	239.319	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H](C#N)CC1	1942980646	PWXCNKFXIHIYIR-NXEZZACHSA-N	240.307	-0.383	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCC[C@H]21	1945075716	UFMUDTHONYIWAQ-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NCC(Cl)Cl	1953765908	DSECDQVZGFFKHA-UCORVYFPSA-N	215.080	-0.386	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@H](CO)[C@@H](C)O	1954239736	PLSMRJNJAPQVJV-FSDSQADBSA-N	209.673	-0.138	50	10	BBGE	
CS(=O)(=O)N1C[C@H](Cl)[C@@H]2COC[C@H]21	1954368870	RGIQIKZYHOUMDN-LYFYHCNISA-N	225.697	-0.116	50	10	BBGE	
O=C(CCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1954501922	FZJWZICLJRFXGM-ZILMGAKASA-N	205.641	-0.822	50	10	BBGE	
CN(C)CCCONS(=O)(=O)CCl	1954668102	QBWCJZNWDCCDIB-UHFFFAOYSA-N	230.717	-0.015	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]1C(F)(F)F	1955729484	ZOFRORCMNSPZFR-STHAYSLISA-N	211.143	-0.957	50	10	BBGE	
CC1(C)C[C@H](O)CCN1CCC(=O)NN	1961239482	KCOWDYQCOBMYDA-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CN(C)C[C@@H]1CN(C[C@@H](O)CCl)CCO1	1961283273	NZIRCSGSQASFLL-VHSXEESVSA-N	236.743	-0.152	50	10	BBGE	
CCN(Cc1ccnn1C)[C@@H](C)C(=O)NN	1980753498	RCNUVUVVQYEPLD-QMMMGPOBSA-N	225.296	-0.380	50	10	BBGE	
Cc1nc(-n2cc(Cl)cn2)ncc1B(O)O	1981464969	IRISIQUPIGLMTF-UHFFFAOYSA-N	238.443	-0.696	50	10	BBGE	
CO[C@H](C)COc1nc(C)ccc1B(O)O	1986051804	KGCMIAZBDOZIEZ-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
O=C(CCCCl)N1CC2(C1)OC[C@H](O)[C@@H]2O	1986229861	CFGUOJXMHQKXOW-CBAPKCEASA-N	249.694	-0.662	50	10	BBGE	
CN(CC(=O)NN)Cc1ccn(C2CC2)n1	1987237188	SGFNLMPXYKOMBD-UHFFFAOYSA-N	223.280	-0.360	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]2C[C@H]2CO1	1991328879	HEFPWPDFIKRXCM-CIUDSAMLSA-N	225.053	-0.904	50	10	BBGE	
CN1CCN(C(=O)CNC[C@H]2C[C@@H]2Cl)CC1	1991453149	VTCBGDPBBAPCMZ-ZJUUUORDSA-N	245.754	-0.023	50	10	BBGE	
O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)[C@H]1C[C@H]1Cl	1991676574	BDDNXARRAWDHNZ-DOACCVQLSA-N	247.678	-0.044	50	10	BBGE	
NCCc1nnc(NC(=O)/C=C/C(=O)Cl)o1	1994103994	LFQHPKYNBJBOTM-OWOJBTEDSA-N	244.638	-0.169	50	10	BBGE	
Cc1ncc2c(n1)CN([C@H](C)C(=O)NN)C2	1994940491	TVIWBKZJTUJKKW-ZCFIWIBFSA-N	221.264	-0.521	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(=O)N2CCC[C@H]2C1	1996428435	ZUUKEMDUKMNOBZ-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(OCC(C)C)C1	1996720639	CVPHRSVZFSDXFF-SNVBAGLBSA-N	245.323	-0.652	50	10	BBGE	
COCCN1CC[C@H](N(C)[C@@H](C)C(=O)NN)C1	1997504836	UQQDBURCSDJMBW-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
CCN(CCCCC(=O)NN)[C@H]1CCNC1=O	2004312159	BJXSRPJGEXXSHB-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1cnn(C)n1	2004800804	NFOJZUUCZFTYOM-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H](C3)[C@@H]2CO)CC1	2008975045	KWCFQWRWRZYHLP-GUBZILKMSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC[C@@H]2CO)C1	2010834794	HKIDHDLRPLNGPI-GMTAPVOTSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CC(=O)C[C@H]1C2	2011650831	COYSKUWVQCQHII-RKDXNWHRSA-N	239.275	-0.793	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@H]1CC(N)=O	2011913225	SIKAVMZRFVOFHZ-DTWKUNHWSA-N	242.323	-0.515	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2C[C@H](C)C(=O)NN	2014222532	ZBIMDRPBSLFKIR-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
Cc1nn(CCN(C)C2CC2)c(C)c1B(O)O	2018216210	GVDZONZHXCAOMH-UHFFFAOYSA-N	237.112	-0.726	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CC[C@@H](C)OC1	2019207337	BGXQZFIEEQKLEJ-PSASIEDQSA-N	243.307	-0.347	50	10	BBGE	
O=C(COC1CCC1)N[C@H]1CCC=C1B(O)O	2020061307	ZWPQKCCGHWXJPE-JTQLQIEISA-N	239.080	-0.228	50	10	BBGE	
C#CCC(=O)NCCc1cccc(B(O)O)c1	2025204383	ODBZPHMOMLEIMC-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cnc2c(N)ncnc21	2028051916	NUHYXRUICSAPGJ-NTSWFWBYSA-N	247.262	-0.966	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)C1[C@H]2CC[C@H]12	2041997320	NXBQROPKLKBQCY-UWVGGRQHSA-N	245.087	-0.361	50	10	BBGE	
OB(O)c1cncnc1N1CCC2(CCCC2)C1	2052467564	SEUIKNVZDFFMCU-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
CN(C)[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2052471577	GAFSNWHWDGWFNJ-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(C(C)C)C2)n1	2052623227	GPCUMSFZURURLA-UHFFFAOYSA-N	249.123	-0.135	50	10	BBGE	
CCOc1c(B(O)O)ccc(C=O)c1F	2060112169	HPOUIURZQSODAA-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
COc1cc(C=O)cc(C#N)c1B(O)O	2060188348	GVTLPKSXIORLJL-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855121	OMCXZFHBFXZWGQ-MBENIPJFSA-N	244.103	-0.148	50	10	BBGE	
O=C(COC1CCC1)N1CC[C@@H](B(O)O)C1	2208731838	LORAUXUPKQNKFZ-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
OB(O)c1cscc1Cn1cccn1	2209702374	IAFIJOPZICCFBF-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
OB(O)c1csnc1CN1[C@H]2CCC[C@H]1C2	2211137033	ZVDBLZWDOPNDLV-YUMQZZPRSA-N	238.121	-0.050	50	10	BBGE	
C[C@H]1C[C@@H]1CCN(C)CCOCC(=O)NN	2211602261	QKBSVZMLFCDXLH-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](CO)CC1CN([C@H](C)CC(=O)NN)C1	2212360348	CLZJFYACWXRUMR-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
COCC[C@@H](C)Nc1ncccc1B(O)O	2212601345	MVRGNLWWOAMRHC-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
C#C[C@@](C)(CC)Oc1cc(B(O)O)ccn1	2212607483	BKZRKPCQXBZHSL-NSHDSACASA-N	219.049	-0.058	50	10	BBGE	
COC[C@@H](OCC1CCN(C)CC1)C(=O)NN	2214826891	CBFHBIFIUIJRBC-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC=C(CO)CC1	2215772486	OIKWJADTKPSXLC-WDEREUQCSA-N	239.319	-0.373	50	10	BBGE	
C[C@H](CC(N)=O)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2215776776	OVQPIQWELQPAKK-HLTSFMKQSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215778266	YGKXTGLHINSSMN-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
C[C@@]1(CNc2ncc(B(O)O)cn2)CCCO1	2217175904	PABXGBMZQFWRGQ-JTQLQIEISA-N	237.068	-0.863	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCC[C@H](O)C2)c1	2217177475	JMERBPZZKLUWSU-ZJUUUORDSA-N	236.080	-0.523	50	10	BBGE	
CC[C@](C)(CN)N(C)c1ccc(B(O)O)cn1	2217181354	ORNNRAIVMGJOCL-LLVKDONJSA-N	237.112	-0.675	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CNCC23CCC3)c1	2223636024	FBOIPEUXDYUWIU-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(N2CCC[C@H](CN)C2)cc1B(O)O	2223647818	CPXFRXDPFYUULZ-SNVBAGLBSA-N	249.123	-0.755	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@@H]1F)N1CC(Cl)C1	2241353455	HJVQFYZPUIKPEE-WDSKDSINSA-N	228.676	-0.146	50	10	BBGE	
CCc1nc(C(=O)OC)c(B(O)O)s1	2241493294	LLAOFLIVCMWEGT-UHFFFAOYSA-N	215.039	-0.828	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)NC[C@H]1C[C@H]1Cl	2242027483	VIRDBVSQBRSGRW-QYNIQEEDSA-N	220.700	-0.172	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC12CCC2	2243356016	AEFVPVAETKVDAU-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2243356904	OLMAQUPUUFPMPF-IMTBSYHQSA-N	222.053	-0.825	50	10	BBGE	
Cc1nc(C(=O)N[C@H]2C[C@H]2C)c(B(O)O)s1	2243359047	OAVQXOQZTWGKQP-XINAWCOVSA-N	240.093	-0.730	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@H](F)C1	2243378521	UZPMLLNLECSTDP-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)c(C)s2)C1	2243381253	DSONNTMEUSAHEI-UHFFFAOYSA-N	237.089	-0.252	50	10	BBGE	
C#C[C@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243390986	FAJTYJVDSLSWLR-RTBKNWGFSA-N	221.065	-0.233	50	10	BBGE	
N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243391423	KKYJTXCQFCEXMM-JBDRJPRFSA-N	226.085	-0.765	50	10	BBGE	
C[C@H]1CCOC[C@H]1NC(=O)C1(B(O)O)CC1	2243397745	IHOOOQBDBGFJKT-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CCO1	2243399949	SUORVWUCKDZIDW-IUCAKERBSA-N	225.053	-0.972	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1sncc1B(O)O	2243403754	CBPBCUQUQHPALO-RITPCOANSA-N	240.093	-0.697	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)O	2243415064	NPFRZEJONYQJEQ-FXQIFTODSA-N	229.085	-0.485	50	10	BBGE	
CC[C@@H](O)[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427487	WISJMWQKPQTIML-RBXMUDONSA-N	229.085	-0.485	50	10	BBGE	
CN(C)CCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243427511	WRFBVZKZMXZRKI-DTWKUNHWSA-N	228.101	-0.741	50	10	BBGE	
C=C(C)C(=O)NCc1scc(C)c1B(O)O	2243678251	GXIGYNXZYLJUFK-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
CC1=CC[C@H](C(=O)NCC#CB(O)O)CC1	2243685850	CQBAMBDWTJHYKD-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
C[C@@H](CF)N(C)c1ncc(B(O)O)cc1F	2244148395	PDYQCHVSYKIXPM-LURJTMIESA-N	230.023	-0.305	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1coc(B(O)O)c1	2247723714	VXDFQMKZXPEFSE-VIFPVBQESA-N	235.048	-0.509	50	10	BBGE	
C#C[C@H](NC(=O)c1cscc1B(O)O)C1CC1	2247735467	ZBYHTWKZRPKHAW-JTQLQIEISA-N	249.100	-0.431	50	10	BBGE	
O=C(Nc1cncnc1)c1csc(B(O)O)c1	2247737421	GHCJZLDNOJUEDM-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C=CCONC(=O)c1ccc(C)c(B(O)O)c1	2247752032	HJHJBGBKTLIRRB-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CCC2)c1	2247759611	UGHUIXXAVJAWLE-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC=CCC1	2247771940	ZJZHYLFJNAALFW-UHFFFAOYSA-N	232.048	-0.837	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1cc(B(O)O)n[nH]1	2247783579	HRANXDWWQAKPPY-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247805992	LUOSHILDSISTOR-QLEHZGMVSA-N	240.112	-0.504	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCCC[C@H]1O	2247842614	XPQGOBMMDNRTFV-VHSXEESVSA-N	239.080	-0.846	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1ccc(B(O)O)o1	2247848652	ONPJIORUWGPTQH-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1CCCO1	2247867845	NSFWJIHLKUYSKR-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
NCC1(F)CCN(C(=O)C2(B(O)O)CC2)CC1	2247871588	DNERDBRJFLEZGJ-UHFFFAOYSA-N	244.075	-0.717	50	10	BBGE	
CCOC(=O)CCN(C)C(=O)C1(B(O)O)CC1	2247873409	BHHCECTWCNWPGM-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2CO[C@@H](C2)C1	2247895034	NHJJMVYRWMZSGP-XKNYDFJKSA-N	239.080	-0.513	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247897645	VORKZILCDMGWSH-KYZUINATSA-N	241.096	-0.218	50	10	BBGE	
CC[C@](C)(NC(=O)C1(B(O)O)CCC1)C(=O)O	2248573291	BVVSQSGGUCXYLG-VIFPVBQESA-N	243.068	-0.247	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2248576002	IMXRDNUQCMSNCF-FKSUSPILSA-N	241.052	-0.781	50	10	BBGE	
O=C(O)[C@@H]1C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580315	XACNHQRLESGAMG-RNJXMRFFSA-N	239.036	-0.909	50	10	BBGE	
C[C@H](CCNC(=O)C1(B(O)O)CCC1)C(=O)O	2248585147	GYMWPUJLMZSHDK-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
CCC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2248585599	OGJZKXKWHVMRND-RRQHEKLDSA-N	243.068	-0.391	50	10	BBGE	
N#CC1CC(O)(CN2CCC(B(O)O)CC2)C1	2249346519	OKLPCQWFYQMPPS-UHFFFAOYSA-N	238.096	-0.410	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2249433313	LBHVZOGDGRISEK-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCN1	2249945590	QCZYLTYRJVAAMG-AXTSPUMRSA-N	240.112	-0.504	50	10	BBGE	
CCC1(C)CN(C(=O)NCCC#CB(O)O)C1	2249987121	ZCGSZTVZBHERQF-UHFFFAOYSA-N	238.096	-0.167	50	10	BBGE	
CON(CC1CC1)C(=O)c1occc1B(O)O	2251005181	BCQACVLWNGJKJY-UHFFFAOYSA-N	239.036	-0.627	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2251041002	YEWUXASDFURURV-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CN(C(=O)NCc1ccccc1B(O)O)C1CC1	2254685159	LFHHQFDVBGTMGD-UHFFFAOYSA-N	248.091	-0.330	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2ccoc2B(O)O)C1	2255460255	RQSIEAPAOICTKB-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)cn2CC)C1	2255512332	YBWVKTCQOMAONP-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
C#CCN(CC=C)C(=O)c1ccc(B(O)O)cn1	2255519238	VDBNHOACNZWTCA-UHFFFAOYSA-N	244.059	-0.977	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1cc(B(O)O)c[nH]1	2255673175	OHFXPBZTYKTWOW-UJNFCWOMSA-N	248.091	-0.387	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@H]2C1	2255719290	ISMIAPZYYRRYTO-RKDXNWHRSA-N	248.091	-0.720	50	10	BBGE	
C=C(C)CCNC(=O)c1nc(C)ccc1B(O)O	2255725747	POOHWSURZOAVAA-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255952617	WEVPIBYXDOIEAG-HTQZYQBOSA-N	249.075	-0.542	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@H]2C1	2258137601	YTAOZKWKMHNZEB-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297962532	DICTTYYUIYLCIG-MVCUBJFGSA-N	241.335	-0.296	50	10	BBGE	
CC[C@H]1CCOC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371214	CZBJCNMSPRJWGV-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@H]1B(O)O	2298376095	HSSOIAHJWABBDT-SJQPAMGKSA-N	239.080	-0.656	50	10	BBGE	
O=C(NC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@@H]1C[C@H]1B(O)O	2298377439	RKMJTIIISHWKRJ-HBUZWVBJSA-N	235.092	-0.133	50	10	BBGE	
CCNCCNc1ccc(B(O)O)cc1C#N	2301342121	VRJYDAZJRITMOR-UHFFFAOYSA-N	233.080	-0.741	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	2302211361	MYEUVHQCDVCIDS-ORMBPQIASA-N	239.319	-0.278	50	10	BBGE	
CC(C)N(C)C[C@H](O)CN1CC[C@@H](B(O)O)C1	2303131231	AHSFOCHNTCNTPH-MNOVXSKESA-N	244.144	-0.764	50	10	BBGE	
CC(C)(C)NC(=O)CN1CC[C@](C)(B(O)O)C1	2303134306	PQZSVSQWCFSABZ-NSHDSACASA-N	242.128	-0.160	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CNC[C@@H]1F	2303695549	CMMSZQUTELFMIP-JBDRJPRFSA-N	244.075	-0.992	50	10	BBGE	
C[C@@H](O)[C@@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303836659	PCTDKBCGAAAVFB-QIOHGKGESA-N	240.043	-0.918	50	10	BBGE	
COC[C@@H](OC[C@H]1O[C@H]2CC[C@H]1C2)C(=O)NN	2307486365	CXCQDYYOCFQIOX-AXTSPUMRSA-N	244.291	-0.425	50	10	BBGE	
Cc1cnc(OC[C@H]2[C@H]3CN[C@@H]2C3)cc1B(O)O	2312613522	JXVXQZUFZDLWFD-WCABBAIRSA-N	248.091	-0.943	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@@H]1O	2317150200	BTWCHOQAWGKQOZ-UFBFGSQYSA-N	246.075	-0.945	50	10	BBGE	
C=CC[C@H](CO)Nc1ccc(B(O)O)cc1C#N	2317164198	WTJKGOVCCUCTQX-LLVKDONJSA-N	246.075	-0.413	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CC[C@@H]1N	2317164612	BPUKJRRCUZMIJU-KCJUWKMLSA-N	245.091	-0.613	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1C[C@@H]1N	2317211266	JTBUGLYNVTWXCQ-SWPVVBRQSA-N	246.075	-0.647	50	10	BBGE	
NCC1(Oc2ccc(C=O)c(B(O)O)c2)CCC1	2317312516	IJXFOUREQBARAS-UHFFFAOYSA-N	249.075	-0.561	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2c1ccncc1B(O)O	2318325118	JKPOVSRYUKGBRH-AUTRQRHGSA-N	248.091	-0.625	50	10	BBGE	
CNC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1	5329081	FLZJNCZZQSPVIZ-RIYZIHGNSA-N	248.286	-0.051	50	10	BBGE	
CN(C)/C=C(/C#N)C(=O)N1CCN(C)CC1	15988094	QSZQWHUEPNEXSL-KTKRTIGZSA-N	222.292	-0.271	50	10	BBGE	
O=C(CN1CC(O)C1)NNC(=O)c1ccccc1	71214540	YVPSFVPBIJYQTB-UHFFFAOYSA-N	249.270	-0.876	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCCN(C)C	86313682	BWSJVMPOJIQJMN-UWVGGRQHSA-N	230.356	-0.116	50	10	BBGE	
C[C@@H](CSCCN(C)C)C(=O)NN	87417318	UDPODXACIXBRJW-ZETCQYMHSA-N	205.327	-0.093	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)O)N(C(N)=O)N(C)C	101250608	QSEXPMNFRZYLNF-RITPCOANSA-N	203.242	-0.047	50	10	BBGE	
Cc1cn(C[C@@H](Cl)C#N)c(=O)[nH]c1=O	132598131	JRVVLWKGLRFBAQ-LURJTMIESA-N	213.624	-0.024	50	10	BBGE	
C=CC[C@@H](NC(=O)NN(C)C)C(=O)O	149089489	KMQRAZQWNJBONV-ZCFIWIBFSA-N	201.226	-0.209	50	10	BBGE	
CCOCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	158446051	MGAITXIVCVSXPJ-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COCCNC(=O)C(=O)NCCCl	170334792	XOLJDRNDGOAMFF-UHFFFAOYSA-N	208.645	-0.896	50	10	BBGE	
CSCC[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	217720233	BUEHSRAPGRHWJS-SFYZADRCSA-N	246.141	-0.930	50	10	BBGE	
COC(=O)[C@@H](O)[C@H](O)CBr	221201854	SWGXSCUMJHOWMV-DMTCNVIQSA-N	213.027	-0.724	50	10	BBGE	
O=C1C[C@@H](N2CC[C@H](Br)C2=O)CN1	229107773	AYJWBBUFLYSAJS-RITPCOANSA-N	247.092	-0.129	50	10	BBGE	
COc1c(B(O)O)cc(Cl)nc1C	238369868	CXDGUUFTVMOMPL-UHFFFAOYSA-N	201.418	-0.268	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)C(=O)NN)C[C@H]1C	251755011	JXLMRJYIEUESHJ-PRJMDXOYSA-N	213.281	-0.083	50	10	BBGE	
CCCN(CCO)[C@@H](C)[C@H](C)C(=O)NN	252604756	PBRROCIBMJBSCH-IUCAKERBSA-N	217.313	-0.295	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@@H]1O	306902911	RCVHATBUWWMVQF-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(O)(C(N)=O)CC1	379890719	APEWRDVAUOSFPQ-ZETCQYMHSA-N	231.683	-0.570	50	10	BBGE	
CCOC(=O)[C@@H](C#N)C(C)=NNC(N)=O	383923905	OGYDNTYUSOEHQM-LURJTMIESA-N	212.209	-0.267	50	10	BBGE	
CN(CCCCO)C[C@@H]1CC[C@H](C(=O)NN)O1	384819606	LSEXIASHIMFGEP-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H]1C	385611249	FGXQWUYDBNZWEI-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CCC(C)(C)NCC(=O)NNC(C)=O	389217110	KYYXLLIIEGIIOJ-UHFFFAOYSA-N	201.270	-0.068	50	10	BBGE	
CC[C@H](O)[C@@H](N)c1ccc(B(O)O)cc1	396489272	LZRKVILHLYKXKH-UWVGGRQHSA-N	209.054	-0.863	50	10	BBGE	
CC[C@H]1COC(C)(C)CN1CC(=O)NN	403759845	FMHBPPNCHKCBKU-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCCO)C1CC1	404250944	MVMZGADCKXHLDI-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](CCF)C1	689863590	OAMQEPBUOFNNLF-ZETCQYMHSA-N	217.244	-0.426	50	10	BBGE	
CCN([C@H](COC)C(=O)NN)C(C)(C)CO	690902076	HFVJVPREGPXKIG-MRVPVSSYSA-N	233.312	-0.916	50	10	BBGE	
OB(O)c1ccn(Cc2cccc(F)c2)n1	694307300	GOBVCAHHTWAMCJ-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H](C)[C@](C)(CO)C1	694662104	OPRNAMSAFHJVSJ-NGZCFLSTSA-N	229.324	-0.295	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(CC(N)=O)C1	695098137	GVIDSBALGHFUSK-SECBINFHSA-N	242.323	-0.802	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCCl	696851240	GLHRXLUVYGUWLO-JGVFFNPUSA-N	241.740	-0.031	50	10	BBGE	
O=S(=O)(CCl)NC1CC(CO)C1	698872738	MRCHYZIQXWAHBJ-UHFFFAOYSA-N	213.686	-0.127	50	10	BBGE	
CNNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1	704630956	MPAWKZBMBWVKCK-MRVPVSSYSA-N	213.281	-0.259	50	10	BBGE	
O=C1CN(CCc2cnoc2)CC(=O)O1	719381217	CJYUIULZWWBYEG-UHFFFAOYSA-N	210.189	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723021815	AWXMOVPQPQNCBJ-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H](F)C2)ns1	724347614	LVZRJLSYNYOCDX-YFKPBYRVSA-N	245.283	-0.315	50	10	BBGE	
C[n+]1n[nH]cc1CN[S@+]([O])(=O)CCl	725595418	BBALZFQBBWYCDP-ZDUSSCGKSA-O	225.681	-0.720	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)c1cc(F)c[nH]1	815443247	PMARVYFQMCYQDP-UHFFFAOYSA-N	238.182	-0.653	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C	843654029	YTFLHRCMTZNWGA-SFYZADRCSA-N	244.291	-0.016	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)NC2CC2)C1	900382547	FLZRGZKFSPVJJB-SVRRBLITSA-N	227.264	-0.096	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)NCC1CC1	900384415	IDTGSFHQDDFFHR-SGJFDWMWSA-N	227.264	-0.336	50	10	BBGE	
CN(CCCl)[C@H]1CC[C@@H]2NNC(=O)N2N1	953055367	MOLWDQOFWUNEGJ-RQJHMYQMSA-N	233.703	-0.363	50	10	BBGE	
Cc1nccnc1C(=O)NNC(=O)c1cn[nH]c1	1131523036	LCPBRJJFWMASHD-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
CNC(=O)NNC(=O)C1=C[S@@](=O)CCC1	1142141936	GYFNVCGEEYATEI-HNNXBMFYSA-N	231.277	-0.627	50	10	BBGE	
O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](B(O)O)C1	1261844091	BIYVFCWMCIUBQA-DOLQZWNJSA-N	239.080	-0.371	50	10	BBGE	
Cc1nnc(CCC(=O)NN(C)[C@H](C)CO)o1	1299923940	XPLNHXGEKLVPRK-SSDOTTSWSA-N	242.279	-0.346	50	10	BBGE	
O=C(/C=C/c1cnccn1)N1CC[C@H](B(O)O)C1	1351729452	OEAACOVLADSCQB-VWCDRPFISA-N	247.063	-0.435	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1cn[nH]c1	1454102112	HWKWNMDXJJXMEZ-VIFPVBQESA-N	224.220	-0.892	50	10	BBGE	
COCCN(C)NC(=O)CC1OCCO1	1623883994	IHVUDDVAOCPWRZ-UHFFFAOYSA-N	218.253	-0.641	50	10	BBGE	
O=C(CBr)NCC(CO)CO	1880243173	REKDWUQJLHOPJE-UHFFFAOYSA-N	226.070	-0.902	50	10	BBGE	
O=C(O)C(=O)NC[C@H]1C[C@@H]1Br	1880434156	NLYHPHZYKXONBW-DMTCNVIQSA-N	222.038	-0.029	50	10	BBGE	
O=S1(=O)NCCN1C[C@H]1C[C@@H]1Cl	1881363870	BLNVZVKLIFKPBD-RITPCOANSA-N	210.686	-0.236	50	10	BBGE	
NC/C=C/CNC(=O)C=CC(=O)Cl	1883625450	ZVXRHTGFDOBJKC-BRHLVPALSA-N	202.641	-0.061	50	10	BBGE	
C[C@H](CC(=O)NN)O[C@@H]1C=CCOC1	1888055199	RLTLMICKKDEZLV-HTQZYQBOSA-N	200.238	-0.274	50	10	BBGE	
CC(C)[S@@](=O)N1CC[C@H](B(O)O)C1	1891516258	GFLNIHXMGVFSJP-WPPNPWJKSA-N	205.088	-0.393	50	10	BBGE	
N[C@H](CC(=O)NC[C@@H]1C[C@H]1Cl)C(=O)O	1893120953	ZJMNPCGZDJAFQG-KVQBGUIXSA-N	220.656	-0.468	50	10	BBGE	
O=C(O)C(NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475499	UYVJVUYBSYKEIY-GBXIJSLDSA-N	221.596	-0.732	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccn(C2CC2)c1=O	1894126531	YOWXPPKXUYTKBZ-ZETCQYMHSA-N	224.264	-0.074	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC=CC[C@@H]1CO	1895419715	LHSMFWXSUYJYQH-IVZWLZJFSA-N	225.292	-0.765	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](F)[C@H](CO)C1	1895510998	UNJJAEAJMWUAGO-XSPKLOCKSA-N	233.287	-0.737	50	10	BBGE	
C[C@@H]1C[C@@]2(CCN(CCC(=O)NN)C2)CO1	1899561167	DMAFYKWIANWOBW-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@@H](CC)C(=O)NN	1899745365	UCLBUUFDBNJZFO-GUBZILKMSA-N	227.308	-0.234	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	1900270997	WARWPUIUMIKWAR-CSMHCCOUSA-N	228.101	-0.661	50	10	BBGE	
CN(NC(=O)c1cc[nH]c(=N)c1)S(C)(=O)=O	1901337790	RWVHRHLDODOWCD-UHFFFAOYSA-N	244.276	-0.970	50	10	BBGE	
C[C@@H]1C[C@@H]1CN=c1cc(B(O)O)c(F)c[nH]1	1903005260	FDCKYAXTHGQDQH-RNFRBKRXSA-N	224.044	-0.610	50	10	BBGE	
O=C(N1CCC[C@@H](O)C1)N1CC[C@@H](B(O)O)C1	1905583035	FKPWGEPHVBETIX-RKDXNWHRSA-N	242.084	-0.888	50	10	BBGE	
C[C@@H](CN1C(=O)C[C@H](C)C1=O)C(=O)NN	1912214927	AKSSCRNSLHHIKR-WDSKDSINSA-N	213.237	-0.993	50	10	BBGE	
CN(C[C@H](O)CCl)S(C)(=O)=O	1913482782	LUWLNLLTDVCWHF-RXMQYKEDSA-N	201.675	-0.523	50	10	BBGE	
CCN(CC)C(=O)Nc1ncccc1B(O)O	1913672266	ZPCBUWPIRGXAEA-UHFFFAOYSA-N	237.068	-0.365	50	10	BBGE	
CC1(C(N)=O)CN(C[C@@H](Cl)C#N)C1	1914184357	XKNRANVZSHDMAC-LURJTMIESA-N	201.657	-0.075	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@@H]1C	1914334664	JNIUUXHWYBAGRF-GJMOJQLCSA-N	201.270	-0.526	50	10	BBGE	
COC1CC(N(C)Cc2ccc(B(O)O)cc2)C1	1914811583	MTXOIMMKWNYWLI-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)CCCN1CC[C@]12CCOC2	1915573637	RXLMBLLXAYYDPZ-SNVBAGLBSA-N	213.281	-0.379	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H]1CCNC1=O	1916211557	GRIDKARLESNTFT-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
CCC1CC(CN(C)C(=O)C(=O)NN)C1	1921314808	JUNUESVXAXUOKJ-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
NC(=O)CO[C@H]1CCN(C[C@@H](O)CCl)C1	1928130464	XVZBXNZBSVJSGE-YUMQZZPRSA-N	236.699	-0.838	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](F)[C@@H](OC)C1	1928691842	HOPYUGFMOWHHNC-RNJXMRFFSA-N	219.260	-0.576	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COC[C@H]1CCl	1928749102	PSASKXZIOPHWMK-RQJHMYQMSA-N	242.728	-0.364	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)N(C)C)[C@H](Cl)C1	1928752017	YLDUYURELSZSGG-RQJHMYQMSA-N	241.744	-0.696	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](O)C2(CC2)C1	1930176235	VAUCEHZAIPCZQF-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@H](O)C2	1934050123	VJBORNUOAFSBDS-BRPSZJMVSA-N	213.281	-0.646	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C)(CO)C1	1935359259	SRWSLURPVFMPMW-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H]1CCCN(CCC(=O)NN)C1=O	1938009631	GRSZEOWBMQUFGH-QMMMGPOBSA-N	229.280	-0.749	50	10	BBGE	
COc1cc(OC)n(C[C@H]2C[C@H]2C(=O)NN)n1	1944785599	IUQUKPAKPJEYOU-RNFRBKRXSA-N	240.263	-0.474	50	10	BBGE	
CC(C)(CCN1C[C@H]2[C@@H](O)C[C@H]2C1)C(=O)NN	1946111479	XSNYARYOSAYXIQ-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
CC(=O)N1CCC([C@@H](N)[C@H](O)C#N)CC1	1952876151	COFUCVPWXGVAOZ-NXEZZACHSA-N	211.265	-0.543	50	10	BBGE	
CO[C@H]1CC(=O)N(S(=O)(=O)CCl)C1	1953952444	BFDNIWOTJRPXCK-YFKPBYRVSA-N	227.669	-0.240	50	10	BBGE	
CO[C@@H]1CC(=O)N(C[C@H](O)CCl)C1	1953952973	HRPJKXSKTHHABM-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
CO[C@H]1CC(=O)N(C[C@H](O)CCl)C1	1953952974	HRPJKXSKTHHABM-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@H]2COC[C@@H]21	1955233741	UFDYFXZFPYGTCX-XAMCCFCMSA-N	219.668	-0.168	50	10	BBGE	
COC[C@@](O)(CO)CNC(=O)[C@@H](C)Cl	1955276387	LCALSIZCSPWVLE-SVRRBLITSA-N	225.672	-0.900	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCCS(N)(=O)=O	1955559305	PHPDWNBGEQMPOT-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
NNC(=O)CCN1CCC[C@@](F)(CO)C1	1957837534	YDHJDSSMNLCSOS-VIFPVBQESA-N	219.260	-0.837	50	10	BBGE	
C[C@H](CCn1cc(B(O)O)cn1)C(F)F	1957936439	RRXKZODKMSRMQP-ZCFIWIBFSA-N	218.012	-0.146	50	10	BBGE	
C[C@@H]1CC[C@H](Cn2ccc(B(O)O)n2)C1	1957977137	CQWRWFHHCIRTLY-BDAKNGLRSA-N	208.070	-0.001	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C[C@H](O)CCl	1960155253	FZUYENARKHQUNN-HTQZYQBOSA-N	236.699	-0.967	50	10	BBGE	
O=C1C[C@@]2(CCN(C[C@H](O)CCl)C2)CN1	1960156971	ZDKQZGKWLRQKSS-SCZZXKLOSA-N	232.711	-0.202	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1960273232	NPNKMJHXQPWAQB-OYNCUSHFSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H]3C[C@H]32)CC1	1961509855	WLKWZNRIRZGUFD-HTQZYQBOSA-N	211.265	-0.770	50	10	BBGE	
CC[C@@H]1CCN1c1ccncc1B(O)O	1961679231	MQSGLMLBJGFRPV-MRVPVSSYSA-N	206.054	-0.250	50	10	BBGE	
C[C@@H]1CN(c2nc(B(O)O)cs2)C[C@H]1F	1961718007	IXJUWNCYEIJGKK-PHDIDXHHSA-N	230.073	-0.383	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1Cl)c1cc(O)ncn1	1979154690	VPCBZHFUHUZHNE-FSPLSTOPSA-N	243.650	-0.082	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)NC(=O)[C@@H]2C1	1981051745	JYLUIQLAVBEESB-RQJHMYQMSA-N	242.666	-0.647	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCCCCC(=O)NN	1985572117	PJDQRSKMDCVFNR-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)o1	1985740044	GCQOIRPKCXEIIJ-HTRCEHHLSA-N	225.248	-0.552	50	10	BBGE	
Cn1nnc(C#CCOCCOCCCl)n1	1988514719	UUCVZYDSBJVXKK-UHFFFAOYSA-N	244.682	-0.166	50	10	BBGE	
O=C(O)C(=O)N1CCN(C[C@H]2C[C@H]2Cl)CC1	1991439466	SJFVOEXFSJROPJ-HTQZYQBOSA-N	246.694	-0.158	50	10	BBGE	
N[C@H]1CN(C(=O)C=CC(=O)Cl)CC[C@H]1CO	1991649807	HUVHSEGVHJZHLL-YUMQZZPRSA-N	246.694	-0.524	50	10	BBGE	
C=C(CN(C)C[C@@H]1CCCCN1C)B(O)O	1992160134	SCRFIWXDIPSNCY-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CN(CCOCC(=O)NN)C1CCC(O)CC1	1997580299	ALSJXBPENIYXPY-UHFFFAOYSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C(=O)NCCCOC1CCCCC1	1997762523	ONPCSBKMXHVYTI-UHFFFAOYSA-N	243.307	-0.168	50	10	BBGE	
NNC(=O)CCCCCN1CC([C@@H](F)CO)C1	2001920722	LKWFMJKUVCAGMG-JTQLQIEISA-N	247.314	-0.201	50	10	BBGE	
COC(C)(C)CN(C)c1ccncc1B(O)O	2004938565	FLXIETBWKUPBNC-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
COCC1CN(c2cc(C)c(B(O)O)cn2)C1	2005017426	DYWMTBASMTUAMI-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]2C2CC2)n1	2005018711	XKFNVXGTGLRRHY-JTQLQIEISA-N	233.080	-0.546	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2CC[C@H]2C1=O	2008871097	RTCYDSVZXNRBJM-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@@H](C(=O)NN)C2)CC1	2010834470	CWTDVBKWTSDKAW-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](O)C[C@@H]1COCCN1C[C@H](C)C(=O)NN	2013005814	NQJPPMFVZFNLOJ-LPEHRKFASA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC(CO)C2)C1	2013608748	MHBCWCGAXXZMSO-NXEZZACHSA-N	239.319	-0.683	50	10	BBGE	
C=C[C@@]1(O)CCCN(CCOCC(=O)NN)C1	2018856348	QIJGNMLDONZGLJ-LLVKDONJSA-N	243.307	-0.994	50	10	BBGE	
COCCN(CC(=O)NNC(C)=O)CC(C)C	2019219548	OAUFEWINUIPHAM-UHFFFAOYSA-N	245.323	-0.242	50	10	BBGE	
NNC(=O)c1coc(CN2[C@H]3COC[C@H]2C3)n1	2021404609	RTZPQRWWCGUZBO-RNFRBKRXSA-N	238.247	-0.749	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ccncc3B(O)O)C[C@@H]21	2025800895	NSVHZRDRJANOJQ-OPRDCNLKSA-N	232.092	-0.146	50	10	BBGE	
C[C@H](c1ccco1)N(C)c1ncc(B(O)O)cn1	2052472973	PFDYUIHQVWARCZ-MRVPVSSYSA-N	247.063	-0.053	50	10	BBGE	
OB(O)c1ccc(N2CCO[C@H](C3CC3)C2)nc1	2052473420	SGRLAAVFHMSNJW-NSHDSACASA-N	248.091	-0.623	50	10	BBGE	
CCc1ccc(C#N)c(B(O)O)c1C=O	2060240418	SXPUIUHLGPXAKH-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
OB(O)c1ccc(N2CCC=C(F)C2)nc1	2212602458	DWKWREPUDOKPRW-UHFFFAOYSA-N	222.028	-0.175	50	10	BBGE	
Cc1cnc(N2CC(C)(F)C2)cc1B(O)O	2212603398	FOALTPGLRFTLPH-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
CC1(Nc2ncc(B(O)O)cn2)CCCC1	2212604289	VRCYKKIXSNHERG-UHFFFAOYSA-N	221.069	-0.099	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)[C@@H]1C	2212605511	GDGUHHFMXZHPOF-NKWVEPMBSA-N	224.044	-0.255	50	10	BBGE	
C=C[C@@H]1CCCN1c1ccc(B(O)O)cn1	2212610673	MUEOWDZCADJEKR-SNVBAGLBSA-N	218.065	-0.084	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1ncccc1B(O)O	2212612612	MLVNJSRWPDHMDC-CBAPKCEASA-N	222.053	-0.792	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)C[C@H](F)C1	2213884001	LWFMIWCZRGBLAY-UWVGGRQHSA-N	247.314	-0.059	50	10	BBGE	
COc1nc(OCC2(F)CC2)ncc1B(O)O	2214489818	DBAMLZJZZLEDGQ-UHFFFAOYSA-N	242.015	-0.954	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC[C@H]1CF	2215770354	AYPSMPZOJUHQNJ-OPRDCNLKSA-N	245.298	-0.327	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@H]32)CCOCC1	2216873621	YQTMYPWUFIVIEH-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
C[C@]1(O)CON(CC2(C(=O)NN)CCCC2)C1	2216882457	ZQWUXIIYYPGQIA-SNVBAGLBSA-N	243.307	-0.465	50	10	BBGE	
CNC[C@H](Oc1ccc(B(O)O)cn1)C(C)C	2217168654	WKXUTSNWIHUOOA-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCN2)c1F	2217186964	RBFGSIPZIYKODG-SSDOTTSWSA-N	240.043	-0.969	50	10	BBGE	
N[C@H](COc1nccc(B(O)O)c1F)C1CC1	2217187322	WJLFTLONYUOSAJ-MRVPVSSYSA-N	240.043	-0.983	50	10	BBGE	
CCC(CC)(CN)Oc1cc(B(O)O)ccn1	2217190303	MNERLTITLZXBSX-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
CC[C@H](C)[C@@H](N)COc1cc(B(O)O)ccn1	2217192183	WQFUPEDCUCWXTO-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
OC[C@H](Nc1cc(B(O)O)ccn1)C1CCC1	2217197548	NPIIIFVUYWUZPX-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)c1cc(B(O)O)ccn1	2217200906	MUZIGQCZFDVEJH-NXEZZACHSA-N	236.080	-0.625	50	10	BBGE	
N#CC1(O)CCN(c2nnc3n2CCOC3)CC1	2219488556	BIHZMMALQROGIW-UHFFFAOYSA-N	249.274	-0.337	50	10	BBGE	
N=c1ccc(COc2ncccc2B(O)O)c[nH]1	2223624191	CPPKRHPAGWCKHX-UHFFFAOYSA-N	245.047	-0.852	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC[C@@H]3C[C@@H]23)[nH]c1	2223637330	PNHBACSVGQCMFC-WCABBAIRSA-N	247.107	-0.574	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2ncccc2B(O)O)CC1	2223670644	AXQLUJDOXZTOMN-NXEZZACHSA-N	249.123	-0.167	50	10	BBGE	
N#C[C@H]1CCCN(c2ncc(B(O)O)cn2)CC1	2223676783	FXYPECIHXPZGLV-VIFPVBQESA-N	246.079	-0.714	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(F)F	2241474750	KGMGBUJNDCXQJJ-VAYJURFESA-N	206.985	-0.381	50	10	BBGE	
O=C(C#CB(O)O)NCCC(F)(F)F	2241476718	YGEPVVVGDFILHX-UHFFFAOYSA-N	208.932	-0.930	50	10	BBGE	
C[C@H](CCl)C(=O)n1c(O)cc(=O)n(C)c1=O	2243059158	OEHBUKSZXLVNIJ-RXMQYKEDSA-N	246.650	-0.232	50	10	BBGE	
CCC(CC)NC(=O)c1ncsc1B(O)O	2243358720	JUDDYXOWAFEMBJ-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
Cc1cc(NC(=O)C2(B(O)O)CC2)ncn1	2243368423	IACPLXHCNATPIE-UHFFFAOYSA-N	221.025	-0.269	50	10	BBGE	
C[C@]1(CO)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396493	MZCKOLONBXUNMN-QXFUBDJGSA-N	227.069	-0.777	50	10	BBGE	
C#CC(C)(C)NC(=O)c1sccc1B(O)O	2243407738	YUYMYWFKMFSZIR-UHFFFAOYSA-N	237.089	-0.431	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCn2cncc2C1	2244396085	DUZAZQRPMUIEIP-QMMMGPOBSA-N	223.280	-0.533	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)c(Cl)cn2)CC1	2245913873	ZLKDTSYRTMWDSM-UHFFFAOYSA-N	236.467	-0.008	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1ccoc1B(O)O	2247741223	WOQFHXWOYHRWGM-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
Cc1ccnc(C)c1CNC(=O)C#CB(O)O	2247744162	ONTOZWBRHNXOHF-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
CC(C)N(C)C(=O)c1cccc(B(O)O)c1F	2247753004	ZWDAQWIGRCNNKP-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247782622	VYMGBPNUZCBXEL-SVRRBLITSA-N	237.068	-0.992	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787198	MALJOPLIJQBCBX-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1C[C@@H]1B(O)O	2247791027	KSUYDBZOVPICQJ-MBXMOIHESA-N	238.096	-0.752	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)C2CC(B(O)O)C2)C1	2247797009	FMFTYLODPWPMJD-UDNWOFFPSA-N	240.112	-0.598	50	10	BBGE	
C[C@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCO1	2247798886	XZXXWPXOOUXESG-WCABBAIRSA-N	241.096	-0.075	50	10	BBGE	
CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800117	LIZODEOGNQPYDH-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850762	SKYCBDBJGUDBBA-XCBNKYQSSA-N	236.080	-0.435	50	10	BBGE	
O=C(N[C@@H]1CCNCC12CC2)[C@@H]1C[C@@H]1B(O)O	2247850858	AEZVJRSQWNTWNF-HRDYMLBCSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CN(C)CCCN1C(=O)C1(B(O)O)CC1	2247878719	MKEADBPJFWXBIL-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
CCC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247887005	JBSXKQLYXBZMLU-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)CN1	2247893793	YLMDQHFFGNDWHT-XHHQTKHESA-N	240.112	-0.646	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)ccc1O	2248034200	XWJISBYZGWRUPF-NSCUHMNNSA-N	235.048	-0.622	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1B(O)O	2248573896	LEVVYLAGHOJLHB-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2248574114	OSTFZBNIYPUDNW-OOJXKGFFSA-N	241.052	-0.829	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)C(=O)c1cc(B(O)O)co1	2249419864	MLTRRBLXKZACSK-CBAPKCEASA-N	237.064	-0.170	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2251034583	YEWUXASDFURURV-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)[C@H]2CO[C@@]1(Cn1ccc(B(O)O)n1)C2	2251092231	LVLOUJPTEYBXCC-LDYMZIIASA-N	236.080	-0.622	50	10	BBGE	
C[C@H]1CCC[C@@H]1NC(=O)c1ncc(B(O)O)cn1	2255470331	BNGRERXIQBRFSL-CBAPKCEASA-N	249.079	-0.925	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CCCC12CC2	2255509296	RCSNLAZLQFOVRR-UHFFFAOYSA-N	248.091	-0.527	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cn1	2255521404	WLNHWBDCJPGRBU-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
C=C(C)CN(C(=O)c1n[nH]cc1B(O)O)C1CC1	2255552315	JMOZEKDURVPQTO-UHFFFAOYSA-N	249.079	-0.730	50	10	BBGE	
Cc1ccc(C(=O)N(C)CCC#N)c(B(O)O)c1	2255690731	GLFNINPQGHVEBD-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@@H]2C[C@@H]21	2255727856	WPANIDCITWLUOZ-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1cc(B(O)O)co1)C2	2258125413	QBGVTYQZLKONQG-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1Cc1cccc(B(O)O)c1	2260395600	UOSVSYMKGWNRJU-STQMWFEESA-N	249.119	-0.288	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@]2(O)C[C@H]2C1	2298256232	MJHYASQBTCFVKD-GUDRVLHUSA-N	239.319	-0.541	50	10	BBGE	
CN(C[C@H]1CC[C@@H]2C[C@H]1CO2)C(=O)C(=O)NN	2298282116	WRKHJJDTSUMHTB-HRDYMLBCSA-N	241.291	-0.750	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2NCC[C@@H]21	2298369570	YOGFKKXFVOXEJP-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)[C@H]1C[C@@H]1B(O)O	2298375234	BESDLIBHNNFRQD-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCC[C@@H]1CO	2300362696	FMUPJTKIBWZSGR-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
CC[C@@](C)(CN1CC2(CN(C)C2)C1)C(=O)NN	2303426683	QLFPKYSELUJBFT-NSHDSACASA-N	240.351	-0.360	50	10	BBGE	
CCN(O)C(=O)Nc1cccc(C)c1B(O)O	2307514258	IFHNDCOHKRPOCL-UHFFFAOYSA-N	238.052	-0.082	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(F)c1	2309543721	BURFMDZGGBPGFJ-MYQHRXMXSA-N	248.066	-0.255	50	10	BBGE	
CN[C@@H]1CN(c2cc(B(O)O)ccn2)CC1(C)C	2314820936	JNJGGZNMENHWTP-SNVBAGLBSA-N	249.123	-0.804	50	10	BBGE	
CN(C[C@@H]1CCN1)c1ccc(B(O)O)cc1C#N	2317161932	OXSWLFOXBAFSPY-NSHDSACASA-N	245.091	-0.964	50	10	BBGE	
CCCNC(=O)CNC(=O)NC(=O)[C@@H](C)Cl	36781341	XCKGAYUVLZZXHD-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
NC(=O)Cn1cc(NC(=O)CCCl)cn1	37005711	GLPZMZCEDHELBL-UHFFFAOYSA-N	230.655	-0.064	50	10	BBGE	
C[C@H]1CCCCN1CCCNCC(=O)NN	58837019	XCOIRZQHOWOYFF-JTQLQIEISA-N	228.340	-0.170	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1C(=O)CCCl	85088519	MPWQHMDFNZQCBB-UHFFFAOYSA-N	232.667	-0.121	50	10	BBGE	
CNC(=O)c1ccn(CC(C)(C)C(=O)NN)n1	93728322	MZCXKWZQQBDFED-UHFFFAOYSA-N	239.279	-0.741	50	10	BBGE	
C[C@H](CN1CCO[C@@H]2CCC[C@H]21)C(=O)NN	216480305	NIVGKAREABITNN-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
O=S(=O)(CBr)N1CC(CO)C1	228921995	VQQHBPMQJYNJAT-UHFFFAOYSA-N	244.110	-0.407	50	10	BBGE	
CC(C)[C@H](Cl)[C@@](O)(C(N)=O)C(=O)O	238159515	GTAWNWRQCMSVIH-MHTLYPKNSA-N	209.629	-0.449	50	10	BBGE	
CNC(=O)[C@H]1CCCN([C@H](C)CC(=O)NN)C1	300031590	QIUXIKXWCAUKFY-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
CC(=O)NC1CN(C(=O)[C@H](C)Cl)C1	306644015	YKZXOPBUMUOASD-YFKPBYRVSA-N	204.657	-0.039	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@@H]2COC[C@@H]21)C(=O)NN	384791972	XLICKVJCYSQNAR-BBBLOLIVSA-N	241.335	-0.031	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	384978058	YURGDEGJGVENBS-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C	385007403	MVAOEIJBGCRQAZ-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H]2C[C@H]1CO2	387719648	LNRDUOKXQQQVPL-DTWKUNHWSA-N	237.259	-0.144	50	10	BBGE	
CC[C@H](C)[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	396536975	XQDVXZZYBMEICM-AXTRIDKLSA-N	237.108	-0.227	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC(CCO)CC1	400962558	BZYITDJVYUIDJT-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCC(=O)N[C@H](C)c1cccc(B(O)O)c1	404992761	DCZSMFPMLPKUBJ-MRVPVSSYSA-N	221.065	-0.046	50	10	BBGE	
CS(=O)(=O)C[C@H](Br)CN	675056532	MHJDMSQEQCYPIW-SCSAIBSYSA-N	216.100	-0.247	50	10	BBGE	
C[C@@H]1[C@@H](O)C[C@@H]2CC[C@@H]1N2C[C@@H](C)C(=O)NN	686194214	VUWNILPMPLIOLN-NMUGVGKYSA-N	241.335	-0.154	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CCC[C@@H]1OCC2	687413693	JZIJRTQXZSJZNM-IMTBSYHQSA-N	213.237	-0.355	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1CCCC(=O)NN	688755473	OLOQBOZYMCFHQW-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CCn1ccnc1COc1cncc(B(O)O)c1	690658043	OLDRDWRRIQIKOP-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccnn2)o1	699002334	LYWUPEIAUQYBNM-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[C@H](CN(C)Cc1cccnn1)C(=O)NN	700700506	NQJWWENIQBYFLO-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
CC[S@@](=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703422855	ULCDWYVIADLYKJ-DBQHQPDYSA-N	245.300	-0.329	50	10	BBGE	
C[C@H](O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703424080	HBWOVBFFCZAPRI-FXQIFTODSA-N	213.233	-0.326	50	10	BBGE	
C[C@@H](c1cnn(C)c1)N(C)CCC(=O)NN	710154873	CTFVALXXJUOEIA-QMMMGPOBSA-N	225.296	-0.207	50	10	BBGE	
C[C@H](C(N)=O)N(C)Cc1cc(C(=O)NN)co1	711134958	KDKDDUXVMIGIFC-ZCFIWIBFSA-N	240.263	-0.811	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@]1(C)CO	723024165	UGUJTZHKNQWHRJ-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1Cl)C1=NCN=C1	725690793	RAUPIOXKUAEJKN-RNFRBKRXSA-N	229.667	-0.018	50	10	BBGE	
Cc1cccnc1C(=O)NNS(C)(=O)=O	751550213	FABSAWKSFQYRMV-UHFFFAOYSA-N	229.261	-0.416	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC1COCCOC1	816921535	ZALQLEXIAGJUJS-RMKNXTFCSA-N	240.259	-0.038	50	10	BBGE	
CC/C(C)=C/C(=O)NNC(=O)c1cn(C)nn1	855184138	RMMVRMWWAQSUBY-FNORWQNLSA-N	237.263	-0.068	50	10	BBGE	
CC(=NNC(=O)CCO)[C@H]1COCCO1	1319308305	QVSUVJRPZWXBRB-MRVPVSSYSA-N	216.237	-0.724	50	10	BBGE	
CNC(=O)NNC(=O)c1ccnc2[nH]c(C)nc12	1335642328	BBPCIBINMUYBDJ-UHFFFAOYSA-N	248.246	-0.160	50	10	BBGE	
C[S@](=N)(=O)N1CCN(C(=O)CCl)CC1	1335816983	GCVQMMNGXIARIC-CQSZACIVSA-N	239.728	-0.039	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCCCO1)C(N)=O	1466167294	BUEQXDZIILFHKY-SECBINFHSA-N	215.253	-0.013	50	10	BBGE	
CN(NC(=O)/C=C\[C@@H]1CCOC1)C(N)=O	1466167867	NYKQAZQJUBCESX-SKRYNEFJSA-N	213.237	-0.379	50	10	BBGE	
NC(=O)CCC(=O)NNc1ncncc1Cl	1625289832	LHLITRLQVNNGRC-UHFFFAOYSA-N	243.654	-0.161	50	10	BBGE	
Cc1[nH]ccc1C(=O)NNC(=O)c1cn(C)nn1	1645368047	SINWZVSPKSVGDR-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
CCONC(=O)NNC(=O)c1cnsn1	1681773307	CSTDTVCCOLYRKK-UHFFFAOYSA-N	231.237	-0.566	50	10	BBGE	
N[C@@H]1CN(C[C@@H]2C[C@@H]2Br)C1=O	1877390542	QHRGHSHLUYTFJH-HCWXCVPCSA-N	219.082	-0.061	50	10	BBGE	
C[C@H](Br)C(=O)NC1(CO)COC1	1881117777	FCSWSABEWLASJX-YFKPBYRVSA-N	238.081	-0.353	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@H](O)CCl	1882774946	FKTWMCIBKUKZBQ-DJLDLDEBSA-N	204.701	-0.026	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1COC[C@H]1F	1883147626	SYDSLUMNWPRWLS-PHDIDXHHSA-N	231.676	-0.119	50	10	BBGE	
CN(C)C[C@H](N)C(=O)NC1CC(Cl)C1	1884410418	RKPBGXUZSXZAAS-RRQHEKLDSA-N	219.716	-0.239	50	10	BBGE	
C[C@@H](CN(C)C1(CO)CC1)C(=O)NN	1886374939	RDGLNOXRKKFCSP-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CO[C@H](C)CCN1CC[C@H](B(O)O)C1	1891586919	YQCRAWCTLFSXNR-BDAKNGLRSA-N	201.075	-0.040	50	10	BBGE	
N[C@@H]1CS(=O)(=O)C[C@@H]1OC[C@@H]1C[C@H]1Cl	1893098321	HXOONARQGHFKDJ-OSMVPFSASA-N	239.724	-0.245	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@H]1Cl	1893470473	UAVIJWQCOVHBBT-DSYKOEDSSA-N	216.668	-0.039	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2OCC[C@@H]2C1=O	1895086848	HWKUFPXHDNIAQA-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
C=C(Cl)CONC(=O)c1ccoc1B(O)O	1899453830	MPBWKXRHOBQIJI-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
Cc1nnsc1CN(C)C[C@H](C)C(=O)NN	1899834293	VFQBGLNXFUMTDV-LURJTMIESA-N	243.336	-0.096	50	10	BBGE	
NC(=O)C1[C@@H]2CN(S(=O)(=O)CCl)C[C@@H]12	1900559719	XRYOGWPZOHLMDB-RFZPGFLSSA-N	238.696	-0.824	50	10	BBGE	
CN(NC(=O)[C@]12C[C@@H](N)C[C@@H]1C2)S(C)(=O)=O	1901375930	SYJCYHPKCVMOBD-BKPPORCPSA-N	247.320	-0.964	50	10	BBGE	
CCCN(CCC)NC(=O)[C@]1(N)C[C@@H](O)C1	1902044516	IXSVPCYSUPVPBS-JGZJWPJOSA-N	229.324	-0.008	50	10	BBGE	
Cc1cn(C)nc1CN1CC[C@@H](B(O)O)C1	1902513145	PRAIHPJHWBTMKI-SECBINFHSA-N	223.085	-0.223	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@@H]2CC[C@@H]21	1906867159	PJJSHVLDEKYAJE-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCCN1C[C@H](CO)C2(CCC2)C1	1914017916	DRNPESUZPIXIKS-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CON1CC[C@H](NNC(=O)C(F)(F)F)C1=O	1923410849	CLOGVRMWRGFTJA-BYPYZUCNSA-N	241.169	-0.668	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@H]1CCCO1	1927814929	QZXWKANRGDPNAE-ZCFIWIBFSA-N	224.207	-0.193	50	10	BBGE	
CC1CC(C)(CN(C)C(=O)C(=O)NN)C1	1928283452	XYYCYSBEGRKDSK-UHFFFAOYSA-N	213.281	-0.129	50	10	BBGE	
CON(C)Cc1ccc(B(O)O)cc1F	1928682095	NZAIGWWHXBAQGA-UHFFFAOYSA-N	213.017	-0.501	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COC[C@@H]2C1	1935927884	GFQOLYRYTDUSKW-BQBZGAKWSA-N	235.234	-0.810	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H](C)O1	1935943301	BYOXXKZXRUZVFG-KNVOCYPGSA-N	237.250	-0.279	50	10	BBGE	
CO[C@@H](C(=O)NNC(N)=S)C1CCOCC1	1937709291	SFSBNMYBDRSASJ-SSDOTTSWSA-N	247.320	-0.708	50	10	BBGE	
O=C1CN(C2CC3(CCOC3)C2)CC(=O)O1	1939145086	YWPYGGZGYOXUCG-UHFFFAOYSA-N	225.244	-0.059	50	10	BBGE	
COC1(CCl)CN(C(=O)c2nnn(C)n2)C1	1940015117	MNDTZWUCISYUAG-UHFFFAOYSA-N	245.670	-0.710	50	10	BBGE	
CNC(=O)CC1CCN(CCC(=O)NN)CC1	1941400040	FRIUVMUSPYAOJI-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
CNC(=O)N1CCc2cc(B(O)O)ccc2C1	1944859880	NAFAXTWXIURKCH-UHFFFAOYSA-N	234.064	-0.936	50	10	BBGE	
COC[C@]1(O)CCN(CCCCC(=O)NN)C1	1946479869	XNNQEFGFKFLVLH-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
C[C@@H]1C[C@]1(CN)C(=O)N1CCC(O)(C#N)CC1	1951149856	UDAXQIKMBLMNOD-BXKDBHETSA-N	237.303	-0.152	50	10	BBGE	
O=S(=O)(N1CCC1)N1CC(Cl)C1	1953706593	WDTSCYXIOKWVPT-UHFFFAOYSA-N	210.686	-0.140	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](C)CC[C@@H]1CO	1957739480	RAVJSEYTHMMNJP-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
C[C@H]1CC(=O)N(CC(=O)NN)CC1(C)C	1961387971	OXTRZFRRGWXRAH-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCO[C@H]2C1	1961581303	AMWCOZKBTQZWGX-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](OCCN1CCCCC1)C(=O)NN	1974690000	JCFILRMMTCZBOH-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@H](C(F)F)N(C)c1nc(B(O)O)cs1	1975166722	WNSQALGCGLRZLT-SCSAIBSYSA-N	236.052	-0.087	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(F)(F)C[C@H]1CO	1976196591	CVPUZBDBQUVMEG-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)C1(CN2Cc3conc3C2)CC1	1976756718	XPHHJWDAOJBTPF-UHFFFAOYSA-N	222.248	-0.240	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1(CO)CC(C)(C)C1	1978672015	WBOFWLZWXLJLFA-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
CON(CC(F)(F)C(=O)NN)[C@@H]1CCOC1	1978749478	GIJQVBTYADWZEZ-ZCFIWIBFSA-N	239.222	-0.736	50	10	BBGE	
Cc1cc(OCCN(C)C)cc(B(O)O)c1	1980316628	YSCFMGAERWJWBO-UHFFFAOYSA-N	223.081	-0.385	50	10	BBGE	
Cc1cc(O[C@@H]2CCOC2)cc(B(O)O)c1	1980316725	ZKLLAVNMWNTNNC-SNVBAGLBSA-N	222.049	-0.157	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1980949243	FWPNORZRFLIGNF-ZKANADHPSA-N	247.364	-0.402	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1c1ncc(B(O)O)cn1	1981413343	FQUNJHNHCPOZTP-POYBYMJQSA-N	225.032	-0.907	50	10	BBGE	
Cc1cc(C(N)=O)ccc1OCC(=O)NN	1983322515	JSHWIDXDADLWTL-UHFFFAOYSA-N	223.232	-0.537	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC[C@H]1CF	1986084909	QAJGASXBOMKRKD-ZETCQYMHSA-N	244.462	-0.037	50	10	BBGE	
C[C@@H](Cn1cc(B(O)O)cn1)OC(C)(C)C	1989538913	MDNYUVWUNZDBLB-QMMMGPOBSA-N	226.085	-0.234	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C#N)CC1	1990774447	JCHOUQRRTKDHNQ-UHFFFAOYSA-N	224.264	-0.611	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@]2(CO)C[C@]2(CO)C1	1991686006	NYIYVFHSTQWBMW-MKHNBGRSSA-N	245.706	-0.183	50	10	BBGE	
O=C(O)[C@H]1CNCCN1C(=O)C1CC(Cl)C1	1991696929	QLMIQBPOZPRUJH-KAVNDROISA-N	246.694	-0.111	50	10	BBGE	
Cc1nc(N2CC(C3CC3)C2)ncc1B(O)O	2004972157	BDONAAOLFVZECI-UHFFFAOYSA-N	233.080	-0.689	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2cccc(B(O)O)c2=O)C1	2008844500	OJUHVIQYCSIRCY-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1[C@@H](C)CC(=O)NN	2010570456	PODRHCQVPVTDQR-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
CCC[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CCO1	2011676719	MVIFEBRDPOOOIK-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC1)CC(O)C2	2013328945	MYXCPHSTMGGULL-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014825812	SUKGZHIZELZNGR-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2COCC[C@H]21	2017900522	IPSZDLMMIWWPQX-JGVFFNPUSA-N	249.261	-0.278	50	10	BBGE	
N#Cc1cccc(C(=O)NCC#CB(O)O)c1	2021164937	ODVRYZUIPFQWPS-UHFFFAOYSA-N	228.016	-0.697	50	10	BBGE	
O=C(Cc1ccccc1F)NCC#CB(O)O	2021165507	XENKSFFZBDXXSF-UHFFFAOYSA-N	235.023	-0.500	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CCC[C@@H]1COC2	2021404408	OYYGVDQIHVBUTE-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccccc1B(O)O	2022200563	VNKSWLCTCIWNKA-UFBFGSQYSA-N	233.076	-0.105	50	10	BBGE	
CC1(C)[C@H](O)CN1C[C@H]1CC[C@H](C(=O)NN)C1	2023144948	TVKWGKHZFHOSHU-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
CN(CCC#N)CC12CC(C(=O)NN)(CO1)C2	2023852775	IJXAXBFUTGQJPW-UHFFFAOYSA-N	238.291	-0.629	50	10	BBGE	
C[C@@H]1C[C@@]2(C(=O)Nc3cccc(B(O)O)n3)C[C@@H]12	2042945753	XXNJXPYJWJTDCJ-RGNHYFCHSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccnc(N2CC[C@@]3(CCO3)C2)c1B(O)O	2052470959	BNDUDPMGWNXUAB-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2COC[C@@H]2C1	2052490353	BMBXXIGREQXTMP-ZJUUUORDSA-N	248.091	-0.766	50	10	BBGE	
C[C@@H]1CCC[C@H]1n1cnc2c(B(O)O)ncnc21	2055727932	HDVGBMXZLQECCS-HTQZYQBOSA-N	246.079	-0.133	50	10	BBGE	
Cc1nccc(C(=O)N[C@H]2CCC=C2B(O)O)n1	2076082074	PRBCHYVFNMATOO-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
C=CCCOCc1nscc1B(O)O	2209702584	JSWCXKGLZGEUSZ-UHFFFAOYSA-N	213.067	-0.084	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C1(C)COC1	2211080407	QXLGIZRJSGEZLA-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
CCN(CC1(C(=O)NN)CCOCC1)OC	2212445272	YHBVCHMMAZYKMP-UHFFFAOYSA-N	231.296	-0.344	50	10	BBGE	
C[C@@H](O)C[C@@H](C)Nc1ncccc1B(O)O	2212600699	FMNHPOSZABBWBM-HTQZYQBOSA-N	224.069	-0.667	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)CO1	2212600849	GGWYBFNKXMWRIW-CBAPKCEASA-N	222.053	-0.649	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@H]2C[C@H]1CO2	2215776984	PZEBCPZSIPEPRX-NAKRPEOUSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CN1C[C@@H]2CCO[C@]2(C#N)C1)C(=O)NN	2216067642	GRNGAJMJUJSEKG-WCABBAIRSA-N	238.291	-0.773	50	10	BBGE	
OB(O)c1cccnc1NC1CCC(O)CC1	2217178844	BNDYHLJDQNBSQJ-UHFFFAOYSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2OCCC[C@@H]21	2217178952	CWUCNGAARVKAMU-QNSHHTMESA-N	234.064	-0.649	50	10	BBGE	
C[C@H]1CNCC[C@H](Nc2cc(B(O)O)ccn2)C1	2223669339	IQUIZDFXTGMWCE-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
CN(CCC(F)F)C(=O)C#CB(O)O	2241478803	LMYDFOZUXOJIHI-UHFFFAOYSA-N	204.969	-0.885	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N(C)O	2241480933	MTYBTALDZWOTOA-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
Cc1sc(C(=O)O)c(B(O)O)c1C	2241493782	QPIZLFGDGVNNHL-UHFFFAOYSA-N	200.024	-0.257	50	10	BBGE	
CCON(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2241496733	VXRFZTLGRYKTBV-LJGSYFOKSA-N	201.031	-0.351	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)[C@H](O)CC1	2241588923	IRLBNTOSYXYHKY-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
CC1(C)CCC[C@H]1CNC(=O)C#CB(O)O	2243348938	CLXZFKQTXHKRDP-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
Cc1cc(N)cc(NC(=O)C#CB(O)O)c1	2243349634	ODZCVBPAKUTBHM-UHFFFAOYSA-N	218.021	-0.469	50	10	BBGE	
C[C@H](CN(C)C(=O)C#CB(O)O)C1CCC1	2243356052	ASRZNMFLLAQOPE-SECBINFHSA-N	223.081	-0.104	50	10	BBGE	
CC[C@H](O)CN(C)C(=O)C1(B(O)O)CCC1	2243364248	TXQFLLWOEYRZMJ-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
CO[C@@H](CNC(=O)C1(B(O)O)CC1)C(C)C	2243364273	UJTUETWOHGPKGB-QMMMGPOBSA-N	229.085	-0.219	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCOC1	2243395879	DITGFQMBALVTOV-NRPADANISA-N	227.069	-0.465	50	10	BBGE	
CO[C@H]1C[C@H]1CNC(=O)C1(B(O)O)CCC1	2243397512	CMXSCWZJHZZMSL-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
CC1=CCN(C(=O)c2csc(B(O)O)c2)C1	2243408153	IEOCOGSTSHAYPJ-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C#CCONC(=O)c1cc(C)c(B(O)O)s1	2243409072	AQSFGNHJWGVGKR-UHFFFAOYSA-N	239.061	-0.969	50	10	BBGE	
C#CCCCNC(=O)c1cscc1B(O)O	2243410708	GNYDYDNBNNXYAI-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C#CCN(CC=C)C(=O)C1CC(B(O)O)C1	2243413608	JYWZCSMLGUHOEO-UHFFFAOYSA-N	221.065	-0.113	50	10	BBGE	
O=C(NC[C@H](F)C(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243419729	FRMOLASBNQLSFV-YUPRTTJUSA-N	242.965	-0.134	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H]2C[C@@H](C1)C2)B(O)O	2243433694	OYAZNIXXGMOTAV-DTORHVGOSA-N	245.109	-0.774	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)C(=O)O	2243753604	WRSLDHIBDJMTJP-GRQBKTHUSA-N	229.041	-0.924	50	10	BBGE	
C[C@@H](C(=O)O)N(C)C(=O)C1CC(B(O)O)C1	2243753644	XOOMBQUKVXPYBS-VTSJMVTISA-N	229.041	-0.829	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@]2(C1)CC2(F)F	2247737204	DVWAIVAYGFNCGJ-APPZFPTMSA-N	243.018	-0.304	50	10	BBGE	
O=C(NCCc1cnccn1)C1(B(O)O)CC1	2247750869	PCPDDTWRCCCZRI-UHFFFAOYSA-N	235.052	-0.858	50	10	BBGE	
COC[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C	2247751602	ZKECDOJLCFDMTH-BDAKNGLRSA-N	241.096	-0.266	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(C)c(B(O)O)c1	2247752320	MXDLQLMNJDKUBG-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
Cn1cnc(CCNC(=O)C2(B(O)O)CC2)c1	2247759246	ZBCQVNSGEZHQSE-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)c1cnn[nH]1	2247785233	HWBPNFZFNGGVOG-LYFYHCNISA-N	238.056	-0.765	50	10	BBGE	
O=C(NC1CCC(O)CC1)C1CC(B(O)O)C1	2247796969	FGMZWTQYMJJSJM-UHFFFAOYSA-N	241.096	-0.341	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808497	LFSDGZWCBRNVSJ-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)C2(CC2)C1	2247809112	NYMGIHRMGXFBMT-HRDYMLBCSA-N	239.080	-0.777	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1cc(B(O)O)c[nH]1	2247848983	TUGQZMGAQPOHCZ-ZETCQYMHSA-N	234.064	-0.776	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C(=O)C1(B(O)O)CC1	2247854516	DOADIIRULBQXPZ-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
Cc1ccc(C(=O)N(C)C2CC2)c(B(O)O)c1	2247874615	NNSNOGBJKCJGTH-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
O=C(N1CC2(CC=CCO2)C1)C1(B(O)O)CC1	2247878294	NALYPPRAOMOMFB-UHFFFAOYSA-N	237.064	-0.449	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1ccccc1B(O)O	2247979441	UKVIRWKKFDOWMY-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
CC(C)(C=CC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248577602	KITLFBGQIUFHKN-RQJHMYQMSA-N	241.052	-0.615	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248579265	YZXQBVUJTMEVFK-QYNIQEEDSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)co2)C1	2249420838	ZCMKLYWEVSPOBK-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
OB(O)c1ccc(OC2(C3CC3)COC2)nc1	2250764240	DAWQZRCVRMKDQE-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
CCC1(Oc2ncc(B(O)O)cc2C)COC1	2250816475	RXFQEMCDLIZLAS-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1[C@H]2CCC[C@@H]1CC2	2255551544	ZDUQGXJDEMSTQU-OCAPTIKFSA-N	249.079	-0.753	50	10	BBGE	
O=C(NCCC1CC=CC1)c1n[nH]cc1B(O)O	2255762908	CKSVFUUBMGRNIP-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1nccc(C)c1B(O)O	2255779835	MIIRSPKKQOHTAJ-MRVPVSSYSA-N	248.091	-0.378	50	10	BBGE	
Cc1cnc(C(=O)N(C)[C@H]2C[C@@H]2C)c(B(O)O)c1	2255804658	GTOFSVCZKLOUJG-WPRPVWTQSA-N	248.091	-0.450	50	10	BBGE	
COc1ccc(C#N)cc1NC(=O)C#CB(O)O	2256692739	WFZHHAYGTFCUSR-UHFFFAOYSA-N	244.015	-0.479	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1cc(B(O)O)co1	2258121274	MYYFMNWVBDMGOR-SFVIPPHHSA-N	249.075	-0.122	50	10	BBGE	
OB(O)c1ccn(C[C@H]2OC[C@@H]3CCC[C@H]23)n1	2297995891	JDMVOKGYLFXMLB-LPEHRKFASA-N	236.080	-0.622	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2CO3)cc1B(O)O	2298224565	OKCVPQBQNGWXFN-IUCAKERBSA-N	234.064	-0.953	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H](B(O)O)C1	2298371491	MMQJMXGTVHLPHK-XKNYDFJKSA-N	238.096	-0.846	50	10	BBGE	
O=C(NC[C@H]1C[C@]12CCOC2)[C@H]1C[C@H]1B(O)O	2298375696	WDOQXQFEFOAYAF-LOKLDPHHSA-N	239.080	-0.608	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)[C@H]1C[C@@H](B(O)O)C1	2298376918	WYPBXNHLQKZXQK-SQXHDICFSA-N	239.080	-0.325	50	10	BBGE	
COC1CC(C(=O)N2CC[C@](C)(B(O)O)C2)C1	2303110827	DLYRLCYINPUQKB-AMUVOQDHSA-N	241.096	-0.123	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@@H]1CNC[C@@H]1F	2303695770	GIRUZSXZWUOYNC-JGVFFNPUSA-N	244.075	-0.848	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CC[C@@H]1CN	2317166832	ZVUXQNGKHZEPMB-KCJUWKMLSA-N	246.075	-0.646	50	10	BBGE	
C[C@@H](CN1CCC[C@H](CO)C1)C(=O)NN	82465838	IRXRLXYWOUWDAP-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CN)C1	82468108	QOMAUZXHVNJQKR-HTQZYQBOSA-N	200.286	-0.965	50	10	BBGE	
C[C@@H](CN(CCO)C1CC1)C(=O)NN	82470838	PWVZYYHCCVACMD-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
Cn1cnnc1CCNC(=O)CBr	82511222	RAOKRZUDYSCWOA-UHFFFAOYSA-N	247.096	-0.131	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NNC(N)=S)O1	88143343	NZEKGJUXSCPCBO-CRCLSJGQSA-N	203.267	-0.582	50	10	BBGE	
CSCC(=O)NNC(=O)COCC1CC1	89996011	KHKNFEFAXIXNPJ-UHFFFAOYSA-N	232.305	-0.077	50	10	BBGE	
O=C(CN1CC[C@@H](O)C1)NNC(=O)C1CCC1	114486063	DILIBMCEFQAAKH-SECBINFHSA-N	241.291	-1.000	50	10	BBGE	
CN(C)NC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O	149116925	VRZFDWXAEZEVGS-ZETCQYMHSA-N	241.251	-0.819	50	10	BBGE	
C[C@H](CC(=O)NN)n1cnc(C#N)c1C#N	164686956	KNCIORNWLQABLC-ZCFIWIBFSA-N	218.220	-0.433	50	10	BBGE	
CC(C)N1CCN(C[C@@H](O)CCl)C(=O)C1=O	166587782	PAWZJVBQJXDCPY-QMMMGPOBSA-N	248.710	-0.335	50	10	BBGE	
Cc1c(C(=O)NN(C)C(N)=O)ccn1C	192569967	MQTTVFDITRKXRH-UHFFFAOYSA-N	210.237	-0.011	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](CO)C1	216467739	PGZFGPNEHDLQSN-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@@H](C#N)C1	219258815	GXPBOFQOTSZVQV-IUCAKERBSA-N	226.280	-0.631	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC([C@H](C)O)CC1	225779541	ULRLKOZQJZHAGG-QMMMGPOBSA-N	243.307	-0.754	50	10	BBGE	
C[C@H]1CCN(C(=O)NN(C)C)[C@H]1C(=O)O	227072293	ILGZNWBKPJKQAK-NKWVEPMBSA-N	215.253	-0.032	50	10	BBGE	
C[C@@H]1OCC[C@@]1(O)CNC(=O)CCl	227128758	WSKSVSQNGLCZQA-POYBYMJQSA-N	207.657	-0.119	50	10	BBGE	
COc1cc(OCC(=O)NN)cc(C(N)=O)c1	234810858	YVVNTADJAPRGED-UHFFFAOYSA-N	239.231	-0.837	50	10	BBGE	
O=C1CN(CC[C@H]2CCOC2)CC(=O)O1	236403520	HUIUREMNGHRBNB-QMMMGPOBSA-N	213.233	-0.202	50	10	BBGE	
CC1(C)Cc2ccc(B(O)O)c(O)c2O1	238245771	AMLVUJHCVCYYNP-UHFFFAOYSA-N	208.022	-0.215	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H]1CN(C)C	251578999	XBVSTBUUHWNTGL-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCCC[C@H]1O)C(=O)NN	252919812	DYNIGNMCPAIPPT-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
O=C1C[C@@H]2ON3CCOC[C@@H]3[C@@H]2C(=O)O1	257631766	VMDSTUDXZZWJIZ-CHKWXVPMSA-N	213.189	-0.909	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CNC(=O)C1	299465309	ZYLNPIPWROUVJB-ZCFIWIBFSA-N	243.263	-0.322	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C)(O)C1	307633854	RYIOFZQQHSNHEO-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
CC[C@H](NS(=O)(=O)CCCl)C(N)=O	379259994	LTXFOSDCIPQOQX-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
CCOCCN=c1[nH]c(CCCl)nc(=N)[nH]1	380984688	JHZGSQDDNYLAFE-UHFFFAOYSA-N	245.714	-0.064	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CCCCC(=O)NN	381551875	MVIIECUTFBTQFR-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
O=C1NCN[C@@H]2C[C@H](Cl)[C@@H]([N+](=O)[O-])C[C@H]12	389636806	OMDLBGWHTZQYSP-YTLHQDLWSA-N	233.655	-0.305	50	10	BBGE	
CN(C)CCONC(=O)CBr	393302404	IZKMHODCCSAMTA-UHFFFAOYSA-N	225.086	-0.009	50	10	BBGE	
C[C@H]1CC[C@H](N(C)CCC(=O)NN)CO1	401590080	WBSTYGZRJUOGHP-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC(C)OCC(=O)Nc1ccnc(B(O)O)c1	404939192	HDMYJIWTBIBLOD-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)[C@H]1CCCO1	404991240	CLCSQAMGNMOHIF-LLVKDONJSA-N	249.075	-0.208	50	10	BBGE	
C[C@@H](N[S@](C)=O)c1cccc(B(O)O)c1	405036384	NNRSNXDWDPMZAG-MLXNANBUSA-N	227.094	-0.690	50	10	BBGE	
C[C@@](O)(C[N+](=O)[O-])C(=O)OCCCl	687750980	IRTYJVKONHXRDV-ZCFIWIBFSA-N	211.601	-0.204	50	10	BBGE	
CN(C)CCCCOc1cncc(B(O)O)c1	690629212	PADCWLTZNGNATG-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC12CCCC2	693894313	ODSPZBOTAAYGAO-SSDOTTSWSA-N	211.265	-0.185	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](C2CC2)C1	694831467	ZHYUOBHGDWOLHH-VXNVDRBHSA-N	213.281	-0.524	50	10	BBGE	
CC(=O)N[C@@H](Cc1cccc(F)c1)B(O)O	694947343	ZROGPUYEORHJLY-JTQLQIEISA-N	225.028	-0.115	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC(N)CC1	695088046	RNWNEGOEUPGUMM-JTQLQIEISA-N	228.340	-0.186	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706116460	URLHXTMAVIKEJN-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCn1cccn1	707429759	GBDGGMODNVUCJQ-JTQLQIEISA-N	239.323	-0.171	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)O[C@H](C)C1	709920177	SKPWCBNZIDWNIF-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CN(C)C)Oc1ccccc1B(O)O	713938730	LIQHDFUOMUWTFL-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cc(F)cc(B(O)O)c1	713944217	WYXLMPWSZLPXAN-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
C[C@H](CCl)C(=O)NCC1(CO)COC1	717597615	GGYJNVZMURSTMA-SSDOTTSWSA-N	221.684	-0.014	50	10	BBGE	
C[C@@H](CN1CCS[C@@H](CCO)C1)C(=O)NN	720093189	XZGPYVNLHMVHDW-IUCAKERBSA-N	247.364	-0.588	50	10	BBGE	
CO[C@H]1CCOC[C@H]1N1CC(=O)OC(=O)C1	725060099	JNTSHHBTBFNBGN-SFYZADRCSA-N	229.232	-0.824	50	10	BBGE	
O=S(=O)(CCl)NCC1=NCC=N1	725595507	RUXZGICYOLLIGA-UHFFFAOYSA-N	209.658	-0.415	50	10	BBGE	
O=C(CO)NN=C1CCCC2=C1CCC(=O)N2	788024259	LDWXTXUUPQPKGF-UHFFFAOYSA-N	237.259	-0.201	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1CCCN(C2CC2)C1=O	929183082	SKAONJQRXSHXAX-VIFPVBQESA-N	239.275	-0.445	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1ncccn1	1141445074	IFMWLFMMYMVFEM-VIFPVBQESA-N	208.221	-0.143	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cc(O)ncn1	1306853600	XMRNLSUKMHAEAZ-UHFFFAOYSA-N	221.180	-0.943	50	10	BBGE	
COc1cnc(C(=O)NNc2ccn(C)n2)nc1	1457823839	XNJWQLZSVCLBSZ-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
CCOC(=O)CC(=O)NN(C)CCOC	1467956752	OACUVOVANGEUHO-UHFFFAOYSA-N	218.253	-0.451	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCCO1)c1cnc[nH]1	1556781261	AUECBRIQVYIIQI-MRVPVSSYSA-N	238.247	-0.260	50	10	BBGE	
COC/C(C)=C/C(=O)NNC(=O)c1ncon1	1598458974	BHZBDBPTPHRQQE-ZZXKWVIFSA-N	240.219	-0.577	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc(C=O)c1	1626583477	ZJPCIEOIHNBRLR-UHFFFAOYSA-N	222.204	-0.532	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)NCCC	1631367424	XZHMAQXPNYQGNF-UHFFFAOYSA-N	228.296	-0.155	50	10	BBGE	
CCNC(=O)CCCC(=O)NNc1nc[nH]n1	1648831311	CJRCWJVVZJLMRI-UHFFFAOYSA-N	240.267	-0.446	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(=O)c1cccnn1	1686071772	BQNJFAHGFJQVDR-SSDOTTSWSA-N	248.246	-0.420	50	10	BBGE	
C[C@@]1(CNC(=O)CBr)CC(=O)N1	1881620511	RSNROROYZPZPPM-ZETCQYMHSA-N	235.081	-0.224	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C(=O)CCl	1882320379	XQTWGIJMUARUNU-IYSWYEEDSA-N	207.657	-0.432	50	10	BBGE	
CSSCCNC(=O)[C@H](CN)CO	1882801911	LGOOBQUKRHDWGO-ZCFIWIBFSA-N	224.351	-0.319	50	10	BBGE	
C[C@@]1(O)CN(C(=O)CCl)CC[C@H]1O	1883995425	FKULRSHERFPIIF-HTRCEHHLSA-N	207.657	-0.431	50	10	BBGE	
C[C@H](N[S@](C)=O)c1cc(B(O)O)cs1	1884938713	HYNYOVJVQQAZHC-UWORMDEDSA-N	233.123	-0.628	50	10	BBGE	
OC[C@H](O)C1CN(C[C@@H]2C[C@H]2Cl)C1	1887171259	MRUCENJUSYTFDX-ZQARSLAVSA-N	205.685	-0.101	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)NNC(N)=S	1892661337	DREVYVDQGKAOII-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1C[C@H]1F	1893882356	NKEFSMFTQUVNQK-QWWZWVQMSA-N	230.029	-0.881	50	10	BBGE	
CC(C)N1CCN([C@@H](C)CC(=O)NN)C1=O	1901275097	CZQLNRPWSIRIOD-QMMMGPOBSA-N	228.296	-0.099	50	10	BBGE	
CN[C@H](C)C(=O)NN(C)S(=O)(=O)C1CCC1	1901342995	UBRBZSCVOXMJHO-SSDOTTSWSA-N	249.336	-0.560	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1cc(B(O)O)cs1	1902407528	URMBWDDSTBIICD-VIFPVBQESA-N	237.089	-0.380	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H]2CNC[C@H]2O)CC1	1907309837	CJLNEQCNRDDMBD-GHMZBOCLSA-N	235.287	-0.361	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@H]1C1CC1	1908854132	NFGYSFBBWFIGRL-OINDSLJFSA-N	241.335	-0.154	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CC(C)(C(N)=O)C1	1914231527	DFXSASKJRGYECN-YFKPBYRVSA-N	247.682	-0.343	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C(C)(C)C(N)=O	1915525642	ZLSPLVKNLWOCLB-SSDOTTSWSA-N	230.312	-0.659	50	10	BBGE	
O=S(=O)(NCC#CCO)C(Cl)Cl	1923783943	QFCGEBLCHZKVOW-UHFFFAOYSA-N	232.088	-0.337	50	10	BBGE	
C[C@@H](NC(=O)NN)C1CCS(=O)(=O)CC1	1928365475	NVQQZWTYMBSICO-ZCFIWIBFSA-N	235.309	-0.627	50	10	BBGE	
O=C(Cn1cnnc1)NC[C@H](Cl)CF	1930555270	ICOAUNXZKQXOGP-ZCFIWIBFSA-N	220.635	-0.029	50	10	BBGE	
C[C@H]1CCO[C@@H]1CC(=O)NNCCO	1935369982	DQATUWPXXSXGDQ-JGVFFNPUSA-N	202.254	-0.585	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1935769911	AZZKZSAGCJBWFB-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
CN1C[C@H](NC(=O)Cn2cccn2)[C@H](Cl)C1	1937195057	WZEWIIANWGZCHP-BDAKNGLRSA-N	242.710	-0.079	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941070963	DIUMWNCGJVTORR-LNFKQOIKSA-N	241.335	-0.295	50	10	BBGE	
COCCOCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1941090714	QGWNUAWADUUNRY-UWVGGRQHSA-N	245.323	-0.793	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@H]1CCCO	1944158583	DIECXQBSYVHAPY-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
COC(=O)c1cc(B(O)O)n2c1CCCC2	1951320127	DACDJUFSVRIVNS-UHFFFAOYSA-N	223.037	-0.709	50	10	BBGE	
C[C@]1(C(=O)N2CC[C@H](B(O)O)C2)C[C@@H]1F	1951321638	AOCWLZJQELUILV-ZKWXMUAHSA-N	215.033	-0.190	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1C[C@@H]1CCl	1954198373	ZRVJUXPCMKNTSA-RITPCOANSA-N	201.661	-0.081	50	10	BBGE	
O=C(O)[C@]1(C[C@H](O)CCl)CNCCO1	1956253263	WNIVHZSKCAXVRM-XPUUQOCRSA-N	223.656	-0.581	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C[S@](C)=O)C1	1957671357	CXNARIFKTOTCRT-MLXNANBUSA-N	233.337	-0.935	50	10	BBGE	
CCCOC1CN(C[C@H](C)C(=O)NN)C1	1958194841	AMBSUADMHCFQKF-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H](O)C1	1961137556	SLNNJZRNUUEUAQ-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]2C[C@@H]21	1961510018	XMQVHSPKRUNQAE-VGMNWLOBSA-N	213.281	-0.382	50	10	BBGE	
Cn1cc([C@H]2CCN(CC(=O)NN)C2)cn1	1981087392	ALRVJBHQWHVRSP-QMMMGPOBSA-N	223.280	-0.801	50	10	BBGE	
Cc1cnc(N2CC3CC2C3)c(B(O)O)c1	1981468865	JGFZMVUKUCDNHQ-UHFFFAOYSA-N	218.065	-0.332	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccc(O)cc1=O	1982432993	HGAVNBNKFLYZQH-HTRCEHHLSA-N	223.232	-0.820	50	10	BBGE	
CCOCCOCCOCCCC(=O)NN	1985223002	LBEUSUONSSXYEA-UHFFFAOYSA-N	234.296	-0.174	50	10	BBGE	
C[C@H]1[C@@H](O)CN1Cc1nc(C(=O)NN)cs1	1985746129	YZLLUKMOIDPUQJ-FSPLSTOPSA-N	242.304	-0.688	50	10	BBGE	
N=C(NO)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1Cl	1991694536	UNTKQDXYKZAJAL-XVMARJQXSA-N	247.682	-0.203	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](C1)O2	1992324089	UORGOBRSLFRPDL-KNVOCYPGSA-N	235.234	-0.525	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H]2[C@@H]1CO	1992537938	VWHLFMFAMXENLE-WLRJLXCNSA-N	227.308	-0.687	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CC[C@H]1CO	2000985648	YTMWDGLZYDBMNY-DBIOUOCHSA-N	243.351	-0.049	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@@H](C)C#N)C1CC1	2003766415	YMACZNBDIGMFLY-WCBMZHEXSA-N	240.307	-0.385	50	10	BBGE	
CCN(CC)CCN(C)[C@H](COC)C(=O)NN	2003814077	SAQSSIULJDATAO-SNVBAGLBSA-N	246.355	-0.735	50	10	BBGE	
COC(C)(C)COc1nc(C)ncc1B(O)O	2004929392	KNXXNEZMJXQIFA-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@H](F)C2)c1B(O)O	2004975908	GCYYMCQHTRYBAJ-POYBYMJQSA-N	239.059	-0.741	50	10	BBGE	
CN(c1ncc(B(O)O)cc1F)[C@H]1CCOC1	2005013799	ATLQVRREGKWWEY-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(C)(C)C2)n1	2005016819	VPJBDCGGLIEEFQ-UHFFFAOYSA-N	235.096	-0.381	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](O)[C@H]1C(C)C	2011348799	OYSZCLXDFYIDDM-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
CCOc1cc(CNC(=O)C(=O)NN)ccn1	2014322485	CEJXTEUAMXUWKG-UHFFFAOYSA-N	238.247	-0.914	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCCCCO1	2014916792	FPEJOZIFNYHSHR-UHFFFAOYSA-N	240.043	-0.178	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2COC[C@@H](C2)C1	2015195962	ZIUMTGCRKJXBSI-DCAQKATOSA-N	241.335	-0.031	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H]2COC[C@H]21	2017524880	KEINNNMNDMTJPJ-OPRDCNLKSA-N	243.307	-0.900	50	10	BBGE	
C=C[C@]1(O)CCCN(CC(F)(F)C(=O)NN)C1	2018855363	FOMAZCOCBLIOHD-VIFPVBQESA-N	249.261	-0.376	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@H]2COC[C@@H]21	2021417196	FKWJVXMEKFVAIY-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
CN1CC(COc2c(F)cccc2B(O)O)C1	2022090966	MIZBXKYDRXWVOP-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1	2022196911	UQILQDXCSYHYJD-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
N#CC1(O)CCN(Cc2ncc[nH]c2=NN)CC1	2034107381	YEFGEAQZKBHKKE-UHFFFAOYSA-N	248.290	-0.965	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1C[C@H]2CC[C@H]1C2	2052498946	LPUGGLJRMVBWCU-GUBZILKMSA-N	248.091	-0.029	50	10	BBGE	
CCc1ccc(B(O)O)c(OC)c1[N+](=O)[O-]	2060061198	HAIGXIXPJIEIBX-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
COc1cc(B(O)O)c(C#N)cc1OC(F)F	2060291591	XMVKDGJPDISRFC-UHFFFAOYSA-N	242.974	-0.152	50	10	BBGE	
COc1cc(OC)c([N+](=O)[O-])cc1B(O)O	2060323771	HERKAPKIVLKWBJ-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
Cc1cc(=NC(=O)c2ccccc2B(O)O)[nH][nH]1	2079010005	WOBIUYJEOOQLTP-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
CN(C)C[C@H](Cl)CN=c1[nH]ncn1C	2209808196	UXNGRLTYVYMZIE-SSDOTTSWSA-N	217.704	-0.182	50	10	BBGE	
CCc1cnn(Cc2nscc2B(O)O)c1	2211135842	MQOZZJZNYBNWMX-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@H]1C(=O)NN	2211827116	AKZUEFPBUJITRS-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](CO)CC1CN(C[C@@H](C)C(=O)NN)C1	2212383379	FSBKEFPUQVVAIF-RKDXNWHRSA-N	229.324	-0.437	50	10	BBGE	
Cn1ncnc1Sc1cc(B(O)O)ccn1	2212599229	FMZPBYDZIBJATA-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
Cc1nnc(Sc2cc(B(O)O)ccn2)o1	2212600532	WHWDQZJHGUKGJB-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCOC2)c1	2212602054	XWEIERURHMZEGK-VIFPVBQESA-N	222.053	-0.648	50	10	BBGE	
COC[C@H](C)Nc1cc(B(O)O)c(C)cn1	2212606406	SWYRGQWQQVGDAD-QMMMGPOBSA-N	224.069	-0.483	50	10	BBGE	
C#CCC1CN(Cc2cccc(B(O)O)c2)C1	2214606564	XVXRTEYKTSAQOR-UHFFFAOYSA-N	229.088	-0.179	50	10	BBGE	
CO[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	2214987295	CVKZTWHSFOIIMM-UJNFCWOMSA-N	239.080	-0.372	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C1CC(CO)C1	2215775174	GGCUCDBDIWZVJZ-QONHTCSSSA-N	241.335	-0.295	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN(C[C@H](C)C(=O)NN)C1	2216292168	SGWMFGODYKQAPP-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]2C2CCC2)nc1	2217171495	BHLYMIFGEAMVCO-NXEZZACHSA-N	233.080	-0.243	50	10	BBGE	
NC[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217199298	LJUVKWVCUDQRMY-DTWKUNHWSA-N	235.096	-0.699	50	10	BBGE	
CNCCC[C@H](C)Nc1ccc(B(O)O)cn1	2217202898	MSOSWXNVTDLAON-VIFPVBQESA-N	237.112	-0.439	50	10	BBGE	
C#CCOC(=O)Nc1ccc(OC)cc1B(O)O	2221622424	LVCSMNCJRMQHHB-UHFFFAOYSA-N	249.031	-0.443	50	10	BBGE	
CC1(C)CC[C@H](N)CN1c1cc(B(O)O)ccn1	2223634423	KQIRDTGSLRJRLZ-JTQLQIEISA-N	249.123	-0.533	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1B(O)O	2223646886	QOVYIUSRWWCKFW-KLBPJQLPSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@@H]3CC[C@@H]32)nc1	2223655229	XWUOOIZSFMRQLU-HBNTYKKESA-N	248.091	-0.719	50	10	BBGE	
CCc1nc(CNc2ncc(B(O)O)cn2)co1	2223667262	OIXHDSYDPGPKNB-UHFFFAOYSA-N	248.051	-0.681	50	10	BBGE	
CN(C)[C@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2223668181	VLLQTEKAAMHFND-MNOVXSKESA-N	249.123	-0.344	50	10	BBGE	
C[C@@H](F)CCNC(=O)[C@H]1C[C@H]1B(O)O	2241496932	XLEMRGIOSVOUMN-DSYKOEDSSA-N	203.022	-0.286	50	10	BBGE	
CCC1(N)CC(NC(=O)C2(B(O)O)CC2)C1	2243358675	JEIQLHLQKOKXHX-UHFFFAOYSA-N	226.085	-0.621	50	10	BBGE	
CC=CCNC(=O)c1nc(C)sc1B(O)O	2243359137	PHBGEEVPVKRNKH-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
CS[C@H](C)CNC(=O)c1occc1B(O)O	2243363558	ITWPHBGAWWNCLC-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1csnc1B(O)O	2243378201	OMWFNOUUUMGXHY-LURJTMIESA-N	240.093	-0.649	50	10	BBGE	
C[C@H](CCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382297	NCUOZWZXZSKHRT-HLTSFMKQSA-N	229.085	-0.626	50	10	BBGE	
Cc1cnc(C(=O)NC(C)C)c(B(O)O)c1	2243383158	UXYNGWQITMRMSF-UHFFFAOYSA-N	222.053	-0.792	50	10	BBGE	
C=C=CCCNC(=O)c1cc(B(O)O)c[nH]1	2243400132	WHQUEMUZKRXHQI-UHFFFAOYSA-N	220.037	-0.845	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)ccc1C	2243409974	SHAFEQVWOMYQSA-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1O[C@H]2C=C[C@H]1CC2	2243420154	NJTRPHRIQRSLRB-MAUMQABQSA-N	223.037	-0.290	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]1CC)B(O)O	2243432770	DHIGKJLWIGVKTG-IUCAKERBSA-N	247.125	-0.480	50	10	BBGE	
C=C=CCC(=O)Nc1cc(B(O)O)ccn1	2243679345	WUGDDOZTPQJZME-UHFFFAOYSA-N	218.021	-0.569	50	10	BBGE	
CONC(=O)c1cc(B(O)O)c(F)cc1C	2244194167	SQLIXFNRAOMOEP-UHFFFAOYSA-N	227.000	-0.895	50	10	BBGE	
CCSCCNC(=O)c1cc(B(O)O)co1	2244211661	JUSFARWXZNHZNI-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
O=C(COC1CCC1)NCCC#CB(O)O	2244546213	ILYGNKXDCCBZKR-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
O=C(NC12COCC(C1)C2)[C@@H]1C[C@@H]1B(O)O	2245060040	IABVACDUYSDGBF-CINMIUTLSA-N	225.053	-0.856	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2(B(O)O)CCC2)[C@@H]1O	2247757643	RBYBDCHHUHRXCV-SFYZADRCSA-N	241.096	-0.341	50	10	BBGE	
Cc1oncc1CCNC(=O)C1(B(O)O)CC1	2247758009	TZPQFWKOVWDWIV-UHFFFAOYSA-N	238.052	-0.351	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2247760512	JGTGARVINSXYHG-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
C[C@@H]1CNCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247790260	GIKWPXIWEUMOCR-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)CO	2247790711	IXQRYWHGLONYFO-AFPNSQJFSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC(F)(F)C1	2247796848	DJZGKOJKTYQMIQ-LJGSYFOKSA-N	249.022	-0.309	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1N	2247805152	JRQOVVVOIZOKDF-BGZDPUMWSA-N	240.112	-0.519	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2CC[C@@H]2C1=O	2247806109	LZIILFPTCUURJP-KRTGUUSXSA-N	237.064	-0.366	50	10	BBGE	
CCN(C(=O)c1ccoc1B(O)O)C1CCC1	2247846615	JNFTVKLAISOBGD-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N(C)C2CC2)c1	2247874179	KALSKSMDENQBAD-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247886464	BTMFFGCUFBMJQI-JXUBOQSCSA-N	240.112	-0.648	50	10	BBGE	
Cc1oncc1CNC(=O)C1CC(B(O)O)C1	2247891878	PNSVXMIPCQZLNS-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
C[C@H](O)CN(C(=O)C1CC(B(O)O)C1)C1CC1	2247893110	MIJMKRKOTRBFRI-UEJVZZJDSA-N	241.096	-0.389	50	10	BBGE	
N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894606	IWUPZCPVKMZAEB-ZYUZMQFOSA-N	240.112	-0.375	50	10	BBGE	
Cc1nccnc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247896890	LSNOMMYODOSNTE-ZKCHVHJHSA-N	235.052	-0.023	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247899857	QSXHSEIERMRUSU-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CCN1C(=O)c1ccc(B(O)O)cc1O	2247982504	MJTYYBVYNXIYAY-ZETCQYMHSA-N	235.048	-0.694	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC[C@H](O)C2)CC1	2250537886	QVONVEDNRCMACP-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
COC[C@H](OC1(C(C)(C)C)COC1)C(=O)NN	2250782568	NEBHEGNAJGGCRR-QMMMGPOBSA-N	246.307	-0.177	50	10	BBGE	
C=CCN(CCC)C(=O)c1ccncc1B(O)O	2255452356	HVHPWIZISFKBCF-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
O=C(NCc1cccnc1)c1coc(B(O)O)c1	2255457107	YABZASLDBVMKOI-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
N#Cc1ccc2c(c1)CCN2C(=O)C#CB(O)O	2255461591	KDNFTNPMNRTLSX-UHFFFAOYSA-N	240.027	-0.537	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(B(O)O)o1	2255461929	OMGUSNCCZWASRA-HRDYMLBCSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(CNC(=O)C2CC(B(O)O)C2)nn1	2255563641	IDHXLRFRVFXRNT-UHFFFAOYSA-N	249.079	-0.346	50	10	BBGE	
Cc1nccc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2255570981	LFPGUPQXQMNNJE-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2255571611	QGJHLPCTRYSTKY-RKDXNWHRSA-N	248.047	-0.413	50	10	BBGE	
O=C(NCCc1cnccn1)[C@H]1C[C@H](B(O)O)C1	2255578755	KGWLMMKFXIIUBB-KYZUINATSA-N	249.079	-0.612	50	10	BBGE	
CN(CC1CCC1)C(=O)c1cncc(B(O)O)c1	2255710960	RWUPALHRTVHBEZ-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C1CC1	2255734958	KHIZQWHCPMUVGX-UWVGGRQHSA-N	248.091	-0.767	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)C1(B(O)O)CC1	2298368141	PLNUARJOTRXIHX-XHNCKOQMSA-N	239.080	-0.323	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nnn2c1CCC2	2301175279	YWBXZVWOAAASOG-ZETCQYMHSA-N	238.295	-0.966	50	10	BBGE	
OB(O)[C@@H]1CCN(CCOC[C@H]2CCCO2)C1	2303122566	FDLAVAUUPBHLRW-GHMZBOCLSA-N	243.112	-0.269	50	10	BBGE	
C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](B(O)O)C1	2303124557	RYDMNSYRBAKYEL-IUCAKERBSA-N	242.128	-0.162	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@H](F)C2)[nH]cc1F	2303834164	AVXZEOPZAPWJBC-LJGSYFOKSA-N	242.034	-0.518	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)c(F)cn2)CCN1	2303852372	LLSCUXZNZINASG-SNVBAGLBSA-N	240.043	-0.969	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CCCN2)cc1B(O)O	2317308681	MCXXLTJRDLTPJE-NSHDSACASA-N	248.091	-0.657	50	10	BBGE	
CCCCNC(=O)NNC1=N[C@@H](C)CN1	39109406	ILHIFHWAEAWFGK-ZETCQYMHSA-N	213.285	-0.062	50	10	BBGE	
C[C@@H](CNCCN1CCCC1)C(=O)NN	58855266	LQSNYGDOIZKGNW-VIFPVBQESA-N	214.313	-0.702	50	10	BBGE	
COCCN(C(=O)CCl)S(C)(=O)=O	73734001	FHWPDQADGJHCEU-UHFFFAOYSA-N	229.685	-0.340	50	10	BBGE	
COC(=O)CSC[C@H](C)C(=O)NN	82472463	IGDKFUKANBOQHQ-YFKPBYRVSA-N	206.267	-0.481	50	10	BBGE	
CC[C@H](SCCS(C)(=O)=O)C(=O)NN	82514835	IMBJBKFXGXXNCF-LURJTMIESA-N	240.350	-0.467	50	10	BBGE	
CC(C)(N)CSC[C@@H]1CC[C@@H](C(=O)NN)O1	85349777	ZRBOHCIYBZZZQZ-YUMQZZPRSA-N	247.364	-0.006	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CCCN1C	86190402	XRSQSLGGBFITDL-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC(C)(CN1CC[C@@H](N)C1)C(=O)NN	86597787	IPRYCHGBXQQFDD-SSDOTTSWSA-N	200.286	-0.965	50	10	BBGE	
CC1(C)CC(=O)N(CCCC(=O)NN)C(=O)C1	110603119	BQVYMIADANRGLE-UHFFFAOYSA-N	241.291	-0.068	50	10	BBGE	
CN(C)NC(=O)N(C)C(C)(C)C(=O)O	149044550	ZMPWBVPKOMGRRL-UHFFFAOYSA-N	203.242	-0.032	50	10	BBGE	
CC(=O)N[C@H](B(O)O)c1cccc(C(=O)O)c1	195923971	DLXDILZICNTAIN-VIFPVBQESA-N	237.020	-0.426	50	10	BBGE	
O=c1ccncn1Cc1ccc(F)cc1B(O)O	203350925	PCVPDAMKVBHONP-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
O=c1[nH]c2cc(B(O)O)ccc2n1C1CC1	204669620	RDYGVRIKCWBRFX-UHFFFAOYSA-N	218.021	-0.656	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(CC)CC1	211855459	KDNJXNSWPFABSZ-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CN1CCN(C(=O)/C(C#N)=C\NCCC#N)CC1	217258533	WNXBIIMFVDONDX-KHPPLWFESA-N	247.302	-0.329	50	10	BBGE	
CC[C@H]1CN(C[C@H](C)C(=O)NN)CCN1C	251627494	FHLPEZIYWOIXKR-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)N1C(=O)Cc2cc(N)ccc21	258844313	WOPQYNILAYDHHO-UHFFFAOYSA-N	206.205	-0.259	50	10	BBGE	
COc1ccc(F)cc1[C@H](N)C(=O)NN	258988530	KSLXKMZCLLNREN-QMMMGPOBSA-N	213.212	-0.176	50	10	BBGE	
CC[C@@H]1CN(C)CCCN1C(=O)NN	300354006	AJTCMKNSNZXLEF-MRVPVSSYSA-N	200.286	-0.014	50	10	BBGE	
NNC(=O)[C@H](SCC(N)=O)c1ccccc1	300828814	OFKPKECHHKNXBN-SECBINFHSA-N	239.300	-0.064	50	10	BBGE	
CSCC(=O)N/N=C1\C=C(O)CN1	307757535	LPSZOWCQRZEJGJ-UHFFFAOYSA-N	201.251	-0.176	50	10	BBGE	
OB(O)/C=C\c1ccc(/C=C\B(O)O)cc1	309568923	VFEOKQJXYYUODR-SFECMWDFSA-N	217.826	-0.263	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1c1cnn(C)c1	310305988	COOXXOGNLFQHKO-PSASIEDQSA-N	237.307	-0.065	50	10	BBGE	
O=C(CCl)NC(=O)NCCn1cnnc1	381938416	SZPGCBVPTMBOJZ-UHFFFAOYSA-N	231.643	-0.657	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cc(O)ccc1B(O)O	396022963	NYDSZGRAMFEEPB-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(CO)c(B(O)O)c1	396057918	NGAVBQFOPVRZKO-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
CCOC(=O)CCc1ccc(C#N)cc1B(O)O	396117139	YJFRTGALWZALCW-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
COC(=O)Cc1nc2cccc(B(O)O)c2o1	396123959	YLKADAQOSPFKHG-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
O=CCCc1cccc(C(=O)O)c1B(O)O	396136520	YYYJWBFSHATVOX-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1ccc2c(CO)csc2c1B(O)O	396239602	GKUZFMARGGDGKA-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1c(C(=O)O)ccc2cc(B(O)O)sc12	396256865	ZZXOHIDHYJAHOO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CCC(=O)NCc1cccc(B(O)O)c1	405019836	DKQOGOCWFLNZAQ-UHFFFAOYSA-N	207.038	-0.607	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCN(C(=O)OCCl)C2)N1	692877339	XOBQHGAVINGDKX-QMMMGPOBSA-N	247.638	-0.397	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299534	FSDDEVXPVXRRRU-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703808971	LBKKDCVFEVFLGP-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CC(=O)N[C@H](CC(C)C)C(=O)N(C)N	704387171	YZTYYKZSKXFPFK-MRVPVSSYSA-N	201.270	-0.131	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](CO)CN(C)C	716786299	OYOROKVKHDOWGI-NKWVEPMBSA-N	208.689	-0.348	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1	720837448	FAMMVQLITSWUGQ-DVVUODLYSA-N	236.080	-0.480	50	10	BBGE	
CCNC(=O)N1CCN(C[C@H](O)CCl)CC1	721660497	DSBJSNVYEPJUHR-SECBINFHSA-N	249.742	-0.067	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@@H]2C)c(C)c1B(O)O	722833402	IWWDVNLCBNHBQD-RCOVLWMOSA-N	208.070	-0.164	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)c2ccc[nH]2)n1	814796423	CJEQOQWNPLAWPT-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)[C@H]1CCCS1	854984469	CMMMZABBRRIOHH-NKWVEPMBSA-N	230.289	-0.424	50	10	BBGE	
C=CC(C)(C)C(=O)NNC(=O)c1cn(C)nn1	855193584	ZOMOZLYSTGUOBY-UHFFFAOYSA-N	237.263	-0.212	50	10	BBGE	
Cc1nnc(NNC(=O)CN(C)C(C)C)n1C	856050716	UNTWZGRGRCMMPN-UHFFFAOYSA-N	240.311	-0.093	50	10	BBGE	
COC[C@H](OC)C(=O)NN=c1cc[nH]cc1F	857319947	NNPZEQUKAJXLDA-VIFPVBQESA-N	243.238	-0.253	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)[C@@H]1[C@H]2COC[C@H]21	857320055	QXGDAUQSANPINZ-MTBHXBHISA-N	237.234	-0.022	50	10	BBGE	
CC/C=C(\F)C(=O)NNC(=O)C(=O)NC(C)C	864601818	XJOTVRUWFDOQJG-ALCCZGGFSA-N	245.254	-0.078	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)[C@H]1CCC(=O)N1	869384781	FXTQGCYISZYPAT-XUTFHDRNSA-N	243.238	-0.324	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)C[C@@H]1COC(=O)C1	1163316527	JYKAQLFLRALZAP-YUMQZZPRSA-N	230.264	-0.717	50	10	BBGE	
Cc1nnc(NNC(=O)c2cocn2)nc1O	1306237883	OLWFZVPCKQQWKC-UHFFFAOYSA-N	236.191	-0.369	50	10	BBGE	
CO[C@H](C(=O)NN(C)C[C@H](C)O)[C@@H]1CCOC1	1332629637	WFNKHXMFUMAROR-AEJSXWLSSA-N	246.307	-0.618	50	10	BBGE	
CN(NC(=O)c1ncc(Cl)cn1)C(N)=O	1446338368	QSIWJTTXHXOHBA-UHFFFAOYSA-N	229.627	-0.215	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	1450267094	AYTQJEUIUPNXOB-RQJHMYQMSA-N	216.237	-0.916	50	10	BBGE	
N#CCC(=O)NNC(=O)c1cnsn1	1455602275	XMBVEJCRLCVYLP-UHFFFAOYSA-N	211.206	-0.787	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc2nccn2c1	1583488442	GFWQWPGKCFUWQX-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccnn1	1597260523	OTZYXYLDYCXYDP-FSPLSTOPSA-N	237.219	-0.583	50	10	BBGE	
O=C(COC[C@H]1CCCO1)NNc1nc[nH]n1	1641620211	SRPKHNZKRCYYDA-SSDOTTSWSA-N	241.251	-0.557	50	10	BBGE	
COC(=O)NNC(=O)c1cnc(O)cc1OC	1650655135	DRGBKJAOHGATAU-UHFFFAOYSA-N	241.203	-0.203	50	10	BBGE	
C[C@H](CN)S(=O)(=O)NC[C@H]1C[C@H]1Cl	1883565238	AJVRTSAWRDLCLC-FSDSQADBSA-N	226.729	-0.120	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@H](O)[C@@H](O)C1	1883639074	KFRIPJTWWYCHGQ-BWBBJGPYSA-N	205.641	-0.822	50	10	BBGE	
C=C(F)CN(C)CC(=O)NNC(C)=O	1892435925	HGLOYNZXJNJPHD-UHFFFAOYSA-N	203.217	-0.431	50	10	BBGE	
CSCC(=O)N[C@H]1CCC=C1B(O)O	1892918826	CTFMHJJYTXPNBQ-ZETCQYMHSA-N	215.083	-0.434	50	10	BBGE	
CN(C)C[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1893452089	BHYNMNPQXBSCGA-GJMOJQLCSA-N	220.700	-0.348	50	10	BBGE	
NC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1Cl	1893453741	QBBCAFIJVWTNLL-KVPKETBZSA-N	218.684	-0.296	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1	1896210086	NASWMPLSPLMEKX-PRJMDXOYSA-N	246.694	-0.270	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1	1896210089	NASWMPLSPLMEKX-RNJXMRFFSA-N	246.694	-0.270	50	10	BBGE	
C#C[C@@H]1N(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	1899889868	VUGCGPJJJDTUNI-HLTSFMKQSA-N	221.065	-0.281	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@@H](O)C1	1900507777	WAJWBFFLUBZIMZ-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CN(Cc1cscc1B(O)O)C[C@H]1CCO1	1902003661	NNKKJMWJJRBMIH-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@]23CCOC3)C1	1902506085	OXALDFKKKXPUGX-HBNTYKKESA-N	225.097	-0.038	50	10	BBGE	
CC[C@@](C)(CN1CCC[C@@H]1CO)C(=O)NN	1902716765	WUWVHWNZNVFMSJ-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2OC[C@H](C(=O)O)[C@@H]2C1	1905907715	AOZSFJKVHDBXOJ-FXQIFTODSA-N	243.263	-0.796	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(F)(F)C2)O1	1917281747	MXOGFXHBERFYJG-RNFRBKRXSA-N	235.234	-0.525	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC(=O)CBr)C1	1928756675	WVNQSMZETBBLBH-PHDIDXHHSA-N	237.097	-0.828	50	10	BBGE	
CN(C)NC(=O)[C@@]1(C)C[C@H](N)CCO1	1929653156	HGFRRPJRFBPRLE-VXNVDRBHSA-N	201.270	-0.524	50	10	BBGE	
CN(CC1CC(F)C1)C(=O)C(=O)NN	1929707092	OLKYDUSHWSTIEY-UHFFFAOYSA-N	203.217	-0.817	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(C)CC1(C)C	1930667539	RQOLWAFNIPNIRN-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1CCCOC1	1932290643	NIVOIQLTXMCMIG-IWSPIJDZSA-N	214.265	-0.192	50	10	BBGE	
Cc1nc(CNC(=O)C(=O)NN)c(C)s1	1932391206	ILALRKZURMRKFF-UHFFFAOYSA-N	228.277	-0.634	50	10	BBGE	
CN1CCO[C@@H]2CN(C[C@H](O)CCl)C[C@H]21	1933288996	CAUOHCTVBHDVMV-OPRDCNLKSA-N	234.727	-0.399	50	10	BBGE	
Cn1cnnc1[C@H]1CS(=O)(=O)C[C@@H]1Cl	1934445478	JCMDLBIYCBDZKV-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
CC(C)OCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936088640	PKRDQLIZDQEHLL-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](N(C)C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)O	1936090801	JOISZFNZSCSADV-XHNCKOQMSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CSC[C@@H]2C1	1936531997	HBQARHRIRAZOSO-IUCAKERBSA-N	245.348	-0.712	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@H]2CCOC[C@H]21	1937638843	APVCECCNGXAXKA-ZYUZMQFOSA-N	227.308	-0.421	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CC1(F)F	1938861192	VCFVBTWMVHJGFU-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
CN(Cc1ccncn1)C[C@@H]1C[C@@H]1C(=O)NN	1941087966	CYARCSDPQOZAPN-WPRPVWTQSA-N	235.291	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@]2(CCCO2)C1	1941394547	RKIARYNAOGJCFR-HOSYDEDBSA-N	239.319	-0.133	50	10	BBGE	
C[C@H](CN(C)CCc1ncccn1)C(=O)NN	1943085543	XHUXDVQJJFWFQJ-SECBINFHSA-N	237.307	-0.423	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN(CC2(C(=O)NN)CC2)C1	1945884141	LXYNVWCZUHQMOZ-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1946257239	OLORKRIXMPUVGB-UTLUCORTSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277598	QRNLXBSAORKTEJ-UVOCVTCTSA-N	239.319	-0.400	50	10	BBGE	
CC(C)[C@H](Oc1cccn(C)c1=O)C(=O)NN	1950721324	FBELNCQYVWELBH-VIFPVBQESA-N	239.275	-0.221	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1c(O)cc(O)cc1O	1952837194	UOEIUVMMBCNUPZ-IONNQARKSA-N	210.189	-0.312	50	10	BBGE	
CC(C)([C@@H](Cl)C(N)=O)S(C)(=O)=O	1953377256	VFCKXTKJFILSAF-BYPYZUCNSA-N	213.686	-0.098	50	10	BBGE	
O=C(CCl)NC[C@@H]1CCC(=O)NC1	1954436853	VOFHFFSQIZKQSJ-ZCFIWIBFSA-N	204.657	-0.132	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)C(C)(F)F	1956881920	JCYBEMZWRJNSQZ-BYPYZUCNSA-N	209.196	-0.616	50	10	BBGE	
CSCCN(C)c1nc(B(O)O)cs1	1956965206	JUWVUFFPPVZABD-UHFFFAOYSA-N	232.139	-0.378	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CC[C@@H](O)CC1	1958634053	QVXNSUFQJTUSHI-DTORHVGOSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)C1CC(C)(C)C1	1959152377	ZTXGCPOLUVIOTD-ZCFIWIBFSA-N	213.281	-0.083	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]12COC[C@@H]1C2	1959162917	QOVFRBUQEHJQQC-NRPADANISA-N	213.281	-0.667	50	10	BBGE	
COCCNC(=O)CN(C)C[C@@H](O)CCl	1960160396	XGBHRDACHXVCDQ-QMMMGPOBSA-N	238.715	-0.720	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(F)CC1C2	1960682598	BUAKLALGWSLZKV-XWDWJLIRSA-N	213.256	-0.201	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1cccc(B(O)O)c1	1962741797	WMGODRCKVURUFM-UHFFFAOYSA-N	245.087	-0.102	50	10	BBGE	
CCSC1CN(c2ncc(B(O)O)cn2)C1	1981412240	SMBRSCHQSHHTKB-UHFFFAOYSA-N	239.109	-0.902	50	10	BBGE	
CN(CC(F)(F)F)c1ncncc1B(O)O	1981415978	KNAHYYMSYMRUSN-UHFFFAOYSA-N	234.974	-0.845	50	10	BBGE	
CN(CC1CCC1)c1ncccc1B(O)O	1981424313	RNBFYFXNKFBDGV-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
OB(O)c1csc(N(C2CC2)C2COC2)n1	1981468829	IXPJFQUURZQCDZ-UHFFFAOYSA-N	240.093	-0.810	50	10	BBGE	
C[C@H](COc1ccncc1B(O)O)N(C)C	1982815524	AVLLGIQWGSHSFP-MRVPVSSYSA-N	224.069	-0.910	50	10	BBGE	
CN1CC[C@H]2[C@H]1CCCN2CCC(=O)NN	1986246866	FMNSBCPUZCEUSM-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H](Cn1cnnc1)NC(=O)NC(=O)CCl	1987210230	KUDHZIJFSNMQQL-LURJTMIESA-N	245.670	-0.269	50	10	BBGE	
COC[C@@H]1C=CCN1CC(=O)NNC(C)=O	1990776332	JKMPBJCFPAKAKX-VIFPVBQESA-N	227.264	-0.960	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC2(CC2)C1	1992126192	VXKARKPPLUISFM-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@@H]2CCCCO2)CC1	2000456458	TZKVFGZXQXIAFH-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	2004918325	KGBBGOQWTHYIPE-CABZTGNLSA-N	232.092	-0.002	50	10	BBGE	
Cc1cnc(O[C@H]2COC[C@@H]2C)c(B(O)O)c1	2004925837	WCYINKFESZUFFM-WPRPVWTQSA-N	237.064	-0.516	50	10	BBGE	
COCCCOc1nc(C)nc(C)c1B(O)O	2004933130	CGYJHYWHOHITKS-UHFFFAOYSA-N	240.068	-0.811	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)c1ccncc1B(O)O	2004935000	KEYPNPUEMPPSHG-PSASIEDQSA-N	236.080	-0.625	50	10	BBGE	
CC[C@H]1CCN(c2nc(C)ncc2B(O)O)C1	2005015124	WHVFGNVKZCPYMC-VIFPVBQESA-N	235.096	-0.299	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(C[C@@H](C)C(=O)NN)C1=O	2007785301	MUMHRYKKYDEQEX-BIIVOSGPSA-N	241.291	-0.357	50	10	BBGE	
OB(O)c1cncnc1N1C[C@@H](F)C[C@H](F)C1	2011406170	PRMDDGRMQJWMED-BQBZGAKWSA-N	243.022	-0.957	50	10	BBGE	
CCc1ccn(-c2ncnc(C)c2B(O)O)n1	2012153631	HUKAJKBWDPDUQX-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCN(C)C(=O)C1)C(=O)NN	2014834604	RMTBGOAOGOBEIF-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(C)=O	2019218690	HDNNNRKMWBAYRO-SCZZXKLOSA-N	243.307	-0.347	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C12CC(CO1)C2	2020056247	JEAYHLYWTQNLQS-PUDKOPFASA-N	237.064	-0.618	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cccnc1	2040766561	GDRFXSYQBBBYPB-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)c1ncnc(C)c1B(O)O	2052556290	LPALGOFWYKZHJD-WPRPVWTQSA-N	249.123	-0.053	50	10	BBGE	
CN(Cc1ccc2cncn2c1)C(=O)C(=O)NN	2067598029	JZSBXVKHHCYLBC-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
N#Cc1cnn(CC23CC(C(=O)NN)(CO2)C3)c1	2082594111	KWBJCWLENJCNSO-UHFFFAOYSA-N	247.258	-0.706	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C(=O)NN)C1(C)C	2211681750	CIJUJNUGQMHXKT-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
CN1CC[C@H](COCC2(C(=O)NN)CC2)C1	2211768544	WVUGRAFMDLQUBS-VIFPVBQESA-N	227.308	-0.275	50	10	BBGE	
CCNC(=O)NCc1sc(C)cc1B(O)O	2211932930	ONFAAOFZEGRLAG-UHFFFAOYSA-N	242.109	-0.445	50	10	BBGE	
CC(C)(C)CCN=c1ncc(B(O)O)c[nH]1	2212611923	FNCUEBLKHWXABK-UHFFFAOYSA-N	223.085	-0.574	50	10	BBGE	
C[C@@H]1C[C@H](Oc2cc(B(O)O)ccn2)CO1	2212612739	OBCBUZQFBYQCSJ-APPZFPTMSA-N	223.037	-0.682	50	10	BBGE	
C#C[C@@H](CCC)Nc1cc(B(O)O)ccn1	2212614049	AHVXUBMTXXHVHE-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
C=C[C@@H](C)CC(=O)Nc1ncc(B(O)O)cn1	2214657423	ZNACNVNDMYCGIQ-SSDOTTSWSA-N	235.052	-0.693	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2[C@@H]1C[C@H]2O	2215773288	SESYBWLCVNDDDK-SAVGLBRCSA-N	239.319	-0.542	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)Nc1ncc(B(O)O)cn1	2217177990	PVNTWTBFJRGUDK-XVKPBYJWSA-N	237.068	-0.864	50	10	BBGE	
CNC(C)(C)CNc1nccc(B(O)O)c1F	2217187117	TWJGXCKKCXNVQE-UHFFFAOYSA-N	241.075	-0.690	50	10	BBGE	
OB(O)c1ccc(=NCc2cccc(O)c2)[nH]c1	2223642551	KSBHKJZRRHKPFH-UHFFFAOYSA-N	244.059	-0.499	50	10	BBGE	
Cc1cnc(N2CC3(CC[C@H]3O)C2)cc1B(O)O	2223648096	HAEXHEKAXMQKNO-SNVBAGLBSA-N	248.091	-0.969	50	10	BBGE	
C#Cc1c(Nc2cc(B(O)O)ccn2)cnn1C	2223651564	CTCMFNGNNUEQEF-UHFFFAOYSA-N	242.047	-0.780	50	10	BBGE	
CCN[C@@H]1CCN(C(=O)NN(C)C)C1	2241683927	MYZCTTYHJUTVSN-MRVPVSSYSA-N	200.286	-0.144	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2241829602	DASSBRCTCWVXFN-ZMONIFLSSA-N	225.697	-0.175	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ccc(B(O)O)s1	2243350065	VAHMXSLULXZYKF-ZETCQYMHSA-N	237.089	-0.290	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2243350235	XXKOUDUSFGNSQC-LURJTMIESA-N	223.037	-0.428	50	10	BBGE	
CC[C@H]1CC(=O)N(C(=O)C#CB(O)O)[C@H]1C	2243357574	YOLQONOSQNTANP-YUMQZZPRSA-N	223.037	-0.825	50	10	BBGE	
O=C(NCC1(F)CC1)c1ncsc1B(O)O	2243358853	LKGHNIUCIVOVRS-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2CCCC[C@@H]21	2243362977	ZFHLWQVADBVDCB-KXUCPTDWSA-N	221.065	-0.303	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOCCO1	2243383200	VNKGDGMQEMQRJT-OCAPTIKFSA-N	229.041	-0.970	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@@H]1N	2243396922	SNQAJSKUHIPNMK-KHONBHQKSA-N	226.085	-0.955	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@]12CCSC2	2243398620	FTOKWPSWBWTEJD-SNVBAGLBSA-N	239.105	-0.500	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)C1(B(O)O)CCC1	2243411113	OCCDQMXGTFIJFF-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
C#CCC(=O)Nc1ccc(C)cc1B(O)O	2243666015	XVSRNKWTOQHTKE-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1CC[C@@H](C(=O)O)CO1	2246545375	BGXJTHYGQJFDSF-HTQZYQBOSA-N	245.279	-0.358	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)C1CN(C)C1	2247736055	RXTNVTZCDOUIIC-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1ccoc1B(O)O	2247739890	CIXOGCGCAMIUSP-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
O=C(NOCCF)c1cccc(F)c1B(O)O	2247752362	NWRKUGXCFURUPF-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
CN1CC[C@](C)(CNC(=O)C2(B(O)O)CC2)C1	2247756256	SBTHIAPCUXCASG-SNVBAGLBSA-N	240.112	-0.549	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247759235	YYLYIKGZUJOIPB-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)cn1C)C1CC1	2247764712	UKTPOYQRXMISKH-SSDOTTSWSA-N	236.080	-0.767	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cncc(B(O)O)c1	2247774981	FUBILXZHFIXRLN-QMMMGPOBSA-N	236.080	-0.320	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H]2[C@H]1CO	2247787803	VBJHVBNWDPIFAN-SRQGCSHVSA-N	239.080	-0.921	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247797719	MJDQCPCVOVTUBK-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cncn1C	2247798522	VBWAGBUGMBUCTJ-BIIVOSGPSA-N	237.068	-0.540	50	10	BBGE	
CCN(CCC(=O)OC)C(=O)[C@H]1C[C@H]1B(O)O	2247798743	WVMFCUVMIWEQPF-JGVFFNPUSA-N	243.068	-0.739	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NC1CC1	2247800769	SOTPVYVOZNWXHT-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
Cc1ccnc(CNC(=O)C#CB(O)O)c1F	2247842740	ZIRWUGSUPGYRGI-UHFFFAOYSA-N	236.011	-0.839	50	10	BBGE	
C#CCCN(CC(C)(C)C)C(=O)C#CB(O)O	2247846200	BQIAKZLYMICESS-UHFFFAOYSA-N	235.092	-0.100	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](O)C1)C1(B(O)O)CCC1	2247852946	CTAOVLOQFIKMHW-RKDXNWHRSA-N	241.096	-0.197	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2NCC[C@H]12)C1(B(O)O)CC1	2247872527	UAUJQTZIVNIFSL-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
CN1CCC(C)(NC(=O)C2(B(O)O)CC2)CC1	2247874344	LGUVJHDYPGZWEK-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CC1(C)CNC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247875066	SGCWHRPXCDHSCE-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
CC[C@@H]1COCCN(C(=O)C2(B(O)O)CC2)C1	2247877339	GOUMQDFSCOOAOX-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CCCC[C@@H](CN)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247892991	KUTFQEIDNBROPZ-AEJSXWLSSA-N	242.128	-0.127	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894101	CIKYGOZKXCVQJU-BQHMLIOBSA-N	238.096	-0.955	50	10	BBGE	
NC[C@]1(F)C[C@H](CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247899732	PTEDXTRNAFXAGH-OORONAJNSA-N	244.075	-0.958	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)[C@@H]1C(=O)O	2248590028	YESDYPICZDIZHB-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
C[C@H]1COC[C@H]1C(=O)N1CCC(B(O)O)CC1	2249347688	SWKBYWPPXVYIMY-WCBMZHEXSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2249415690	HSYRZDLTFZOPPT-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)C	2250575893	VOJOOVAMMQZHHH-DJLDLDEBSA-N	243.112	-0.143	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1coc(B(O)O)c1	2255460578	VWZKEINEEBXHEI-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1ccc(B(O)O)o1)C2	2255463245	GSDHCGJNWKZKOO-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@H]2C1	2255508553	AWVSXNSADGGOCV-DTORHVGOSA-N	249.050	-0.403	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ncncc1B(O)O	2255520330	JMNSSTROSLNHHF-SSDOTTSWSA-N	249.079	-0.973	50	10	BBGE	
O=C(N[C@@H]1CCn2nccc2C1)[C@@H]1C[C@@H]1B(O)O	2255583822	RGMHOAIADWPCHO-QNSHHTMESA-N	249.079	-0.823	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255690691	FXHSVZSANQAPEO-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
CC1(C)CCN(C(=O)c2ncccc2B(O)O)C1	2255710034	FNMZQRQBKQBWOV-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C#CCCC(=O)N1CCc2c(B(O)O)cccc21	2256637153	RRQWQGFXNJQYHU-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H](O)c1ccccc1	2258956727	ZNNSISBQBCQGIJ-LLVKDONJSA-N	247.059	-0.758	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCc2cccnc2C1	2261368134	DFFKXSBPBWSBHS-UWVGGRQHSA-N	246.075	-0.171	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298370496	AFPVXZXUFSVISF-ZYUZMQFOSA-N	240.112	-0.375	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2298370642	FQZFMUQQSJHSQF-OPVFVPONSA-N	235.092	-0.038	50	10	BBGE	
COC[C@H](OC[C@@H]1CCC[C@@H](C)O1)C(=O)NN	2301072485	YFKRJSVELROQMI-UTLUCORTSA-N	246.307	-0.035	50	10	BBGE	
CC(C)(CN)Oc1ccc(C=O)c(B(O)O)c1	2301422774	KZKRRYIBVNHRPR-UHFFFAOYSA-N	237.064	-0.705	50	10	BBGE	
C=CCNC(=O)[C@@H](C)N1CC[C@](C)(B(O)O)C1	2303100210	XGIJZLKGYPUZMU-KOLCDFICSA-N	240.112	-0.384	50	10	BBGE	
CC[C@@](C)(CN1CCO[C@H](CO)C1)C(=O)NN	2303426760	RKMVAHWJMGNDSC-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1cc(O[C@H]2C=CCOC2)ncc1F	2303853557	VVKXCPDCPHTDLA-ZETCQYMHSA-N	239.011	-0.766	50	10	BBGE	
COC(=O)CNC(=O)CNC(=O)CCCl	41714181	OSWSSKSIEFEGBD-UHFFFAOYSA-N	236.655	-0.979	50	10	BBGE	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN1	49815374	NOXZNVGLZRFUHP-MRVPVSSYSA-N	213.281	-0.068	50	10	BBGE	
COCC1CCN([C@H](C)C(=O)NN)CC1	69632735	RAQMRAXLOUAKGP-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
O=C(O)C[C@@H](NC(=O)CCCl)C(=O)O	82268993	LTQUKVABBPPVPF-SCSAIBSYSA-N	223.612	-0.341	50	10	BBGE	
Cc1nc(CN(C)CC(=O)NN)cs1	82469516	VVHFCYHFKQKSIU-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@@H]1CO	86313604	VUCUAZHFVCNBRQ-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
Cc1nc(C)n(CC(C)(C)C(=O)NN)n1	86598198	CBXSUBXIVNYCLG-UHFFFAOYSA-N	211.269	-0.089	50	10	BBGE	
NNC(=O)CCCCN1CCN(C2CC2)CC1	104101201	GKJNTQUDZHBTEL-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN2CCC[C@@H]2C1	104119981	IDFACOYNLMOWQG-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CCN1CC[C@H](CN2CC(=O)OC(=O)C2)C1	111217852	HQUCOSGEEZDBPP-VIFPVBQESA-N	226.276	-0.286	50	10	BBGE	
O=C(NCCCl)C(=O)NCCCCCO	170359722	OWBQQRDACSQEOD-UHFFFAOYSA-N	236.699	-0.380	50	10	BBGE	
CN(C)CC(=O)NNc1ncnc2nc[nH]c12	173941844	UCCYLYAJMSVMRO-UHFFFAOYSA-N	235.251	-0.642	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](C)O	211936233	RURVSIQJZUHWGO-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@](C)(C(=O)NC)C1	230921045	BGAMNRYKVDQYGN-GZMMTYOYSA-N	242.323	-0.787	50	10	BBGE	
CC(=O)N[C@@H](C(=O)NN)c1ccccc1	238106420	YJEXFFRDYHUEKR-SECBINFHSA-N	207.233	-0.146	50	10	BBGE	
CNCC(=O)NNC(=O)c1ccncc1	238321048	FTUYQNJFCQWSFO-UHFFFAOYSA-N	208.221	-0.938	50	10	BBGE	
CNC[C@@H]1CCCN(C[C@H](C)C(=O)NN)C1	251127687	SRLUJBPMQZRTLD-UWVGGRQHSA-N	228.340	-0.456	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc2c(c1)OCO2	258932803	BCBFTVSSIPIOND-ZETCQYMHSA-N	223.232	-0.725	50	10	BBGE	
COCCC(=O)NNC(=O)NC(C)C	263849623	GDNNUZYTCAULPZ-UHFFFAOYSA-N	203.242	-0.238	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)CC(=O)NN)C1	300044467	CHGNBQMSGQNNNR-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1OC	300046147	QUMOXHVHMDTAIT-SGIHWFKDSA-N	245.323	-0.654	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCC(N)=O	300803629	JMRHIRXSPXOWRP-RFZPGFLSSA-N	205.283	-0.781	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1O	306732451	MLMFNCPXIJKUKL-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
Nc1cc2cc(O)c(B(O)O)cc2s1	306823485	TUFGDPBOMUSPBX-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COCC(COC)OCCC(=O)NN	308530668	KRPYWWASGCXUIU-UHFFFAOYSA-N	206.242	-0.956	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C(=O)CCCCCl)C1	309249842	ZMCXGCQOLFCLRZ-SNVBAGLBSA-N	248.710	-0.156	50	10	BBGE	
COC[C@@H](NCC(=O)NNC(C)=O)C(C)C	309446625	JYHPYLTVWBHPSH-SECBINFHSA-N	231.296	-0.586	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](CO)CC1	378814276	AXXJYURTZJLMAG-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
COc1ncc([C@H]2C(=O)NC(=O)[C@@H]2Cl)cn1	384181672	QIHIFWTZHJAUQA-PHDIDXHHSA-N	241.634	-0.167	50	10	BBGE	
CC(=O)c1cnn(C[C@@H](C)C(=O)NN)c1	393726792	DYTDZFIOWHINIM-ZCFIWIBFSA-N	210.237	-0.288	50	10	BBGE	
Nc1c(C(=O)O)sc2cc(B(O)O)ccc12	396239314	IYTGTQAGMTWBMG-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)Nc2ccccc2B(O)O)CO1	404992925	DEJAMOCXENPULJ-RKDXNWHRSA-N	249.075	-0.270	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]([C@@H](C)O)C1	688916343	MEUKCORJFICKSE-PSASIEDQSA-N	243.307	-0.754	50	10	BBGE	
CCN([C@H](C)C(=O)NN)C(C)(C)CO	690905428	YWEHWAGUWSSVET-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@@H]1O	708050704	KKHDRBXHLMSDPD-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
O=C1CN(CCO[C@@H]2CC2(F)F)CC(=O)O1	709262058	FOXNTCOOTCXAEN-ZCFIWIBFSA-N	235.186	-0.204	50	10	BBGE	
CCCC1(O)CCN([C@@H](C)C(=O)NN)CC1	710231352	FDLHSONJZJTTFA-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)[C@H]1C[C@H]1C	712323644	YHFLTAZRXQVVMI-APPZFPTMSA-N	249.075	-0.031	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]21	780469565	BLTWYZRAVNCKHS-FXBDTBDDSA-N	241.291	-0.880	50	10	BBGE	
COC(=O)CNC(=O)NN=CC1(F)CC1	794532058	ZESLQHKBZVHIAG-UHFFFAOYSA-N	217.200	-0.054	50	10	BBGE	
COCCN(C)NC(=O)c1ccn2nccc2n1	908116350	YNJUWKBQZZCZLA-UHFFFAOYSA-N	249.274	-0.048	50	10	BBGE	
CCNC(=O)NNC(=O)c1cnc2[nH]ncc2c1	1142342997	TVOBIEOJMQBBPT-UHFFFAOYSA-N	248.246	-0.078	50	10	BBGE	
CNC(=O)NC(=O)CCN1CC=C(C#N)CC1	1193000501	CNVSRMIKGYPEBA-UHFFFAOYSA-N	236.275	-0.012	50	10	BBGE	
CC[C@@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1	1464999033	BSKSQQZPEPTVIH-SNVBAGLBSA-N	240.263	-0.739	50	10	BBGE	
CCNC(=O)NNC(=O)C[C@@H]1COC(=O)C1	1597672159	NTMGXJAQEGVMJU-LURJTMIESA-N	229.236	-0.710	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccnn1	1625912405	MDDIGTCQEIATEJ-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2cnc[nH]2)n1C	1646191412	PQDYMXNTSARJEE-UHFFFAOYSA-N	235.251	-0.468	50	10	BBGE	
NC(=O)CONC[C@H]1C[C@@H]1Br	1880436651	PZTBGAZEPFBHJN-UHNVWZDZSA-N	223.070	-0.224	50	10	BBGE	
NCC#CC(=O)NC[C@H]1C[C@H]1Br	1881348497	GBPHHAMSMORBGB-RNFRBKRXSA-N	231.093	-0.152	50	10	BBGE	
O=C(F)NCC1[C@@H]2CS(=O)(=O)C[C@@H]12	1882787653	NPLSOVVDRWBTMX-WDSKDSINSA-N	207.226	-0.044	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)NNC(N)=S	1882997940	RTURWBSJCARUHD-CRCLSJGQSA-N	203.267	-0.867	50	10	BBGE	
O=c1c(B(O)O)cccn1CC=CCl	1885133249	UBGNHFCYJAQWBB-UHFFFAOYSA-N	213.429	-0.719	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]2CF)CC1	1886121432	CAAGPIPGXZVZEC-SSDOTTSWSA-N	201.245	-0.200	50	10	BBGE	
O=C(C[C@@H]1CCC1(F)F)NCB(O)O	1886378589	UWLOQDPPSGUOGI-YFKPBYRVSA-N	206.985	-0.450	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1886783614	MRPCIKKRZBMJHB-SFYZADRCSA-N	200.286	-0.999	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1894052295	CBCZLZYRFFTYIR-KZVJFYERSA-N	213.281	-0.790	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1Oc1ncc(B(O)O)cn1	1901081006	GHGFSHWNIWXAQV-QMSLJYSESA-N	222.053	-0.420	50	10	BBGE	
CN(CCCCCC(=O)NN)CC1(O)CC1	1901666231	HBWUUUDDGGCTCL-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
O=C([C@@H]1C[C@@H]1C(F)F)N1CC[C@@H](B(O)O)C1	1902512923	PGRQXNPCAYFFFJ-DSYKOEDSSA-N	233.023	-0.037	50	10	BBGE	
CN1CC[C@H](CN2CC[C@@H](B(O)O)C2)C1=O	1902528294	FZBMRUWHHSQTBK-RKDXNWHRSA-N	226.085	-0.987	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@@H]2CCCNC2=O)C1	1902551135	OQZVIDZELHJTMT-SCZZXKLOSA-N	226.085	-0.796	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1906574908	BEZHTYXQRTUVEF-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
COC1CC(N(C)CCCC(=O)NN)C1	1914814970	RNRGFWJCZFAJTQ-UHFFFAOYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCSCC1=O	1927915401	GHXZTOIJZRLPSR-NKWVEPMBSA-N	229.305	-0.812	50	10	BBGE	
NNC(=O)COCCN1CCCCC1=O	1928181818	RSKGMHGDTUGPFD-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
C[C@]1(OC[C@H]2C[C@H]2C(=O)NN)CCOC1	1928536965	MZNFSRHFITYHIJ-MRTMQBJTSA-N	214.265	-0.192	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1COC[C@H]1CO	1928737613	GSDGKMKDNPMBBB-RQJHMYQMSA-N	243.712	-0.848	50	10	BBGE	
O=C(Cc1cccc(O)c1)NNCCO	1929836379	IOFVAEBDZJHKNF-UHFFFAOYSA-N	210.233	-0.452	50	10	BBGE	
COC(=O)[C@H](Br)CNOCC#N	1930364652	ZKDZCSBFGALVIF-RXMQYKEDSA-N	237.053	-0.032	50	10	BBGE	
C#CCN(CCCl)C(=O)c1nnn(C)n1	1933485653	FVTCJOIVNFZPFP-UHFFFAOYSA-N	227.655	-0.476	50	10	BBGE	
CN(CCC(=O)NN)CC[C@H]1CCCO1	1935342806	CBUUSPBZBTVMNV-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CO)C(F)(F)C1	1937079903	XQZHKKOYRALEOU-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](F)[C@H](OC)C1	1937153329	JJOGXKUOCCHHIJ-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)OCC[C@H]1C	1944024182	MOFDTYGORSYCLK-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)c1cncc(CN2CC[C@H]2CO)c1	1944080977	VYRXITOHGUKETC-JTQLQIEISA-N	236.275	-0.748	50	10	BBGE	
C[C@H](CN1CC[C@@H]2OCCO[C@H]2C1)C(=O)NN	1946406071	FCKISWNYSXJTMR-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1ccc2nn[nH]c2c1	1952811119	AHYFKMZBHDAJIX-DTWKUNHWSA-N	203.205	-0.158	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)C[C@@H](O)C1	1954208837	ULAMVTCQKADSOD-XLPZGREQSA-N	203.673	-0.489	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](O)C[C@@H]1O	1954819845	XYIYFUUBRRYMTE-WNJXEPBRSA-N	207.657	-0.386	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@H]2COC[C@H]21	1955233434	QTHKBSDCBXCOLI-XAVMHZPKSA-N	221.684	-0.722	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](CF)C1	1956916668	BJTVCSPNXCPRRQ-ZETCQYMHSA-N	205.233	-0.963	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1NC(=O)OCCl	1957176075	XXIDZKIAWHNHFE-WHFBIAKZSA-N	222.628	-0.448	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1C	1958597930	VUHZICZVVGPJPE-VGMNWLOBSA-N	215.297	-0.421	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](C)[C@H](C)C(=O)NN	1959516437	GNWZPUGMQCAPRQ-YIZRAAEISA-N	217.313	-0.296	50	10	BBGE	
C=C(COc1ccccc1B(O)O)OC	1961427501	CKOOAMODJRTNTD-UHFFFAOYSA-N	208.022	-0.095	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)[C@@H](F)C1	1974547117	AEJGJEHZLSYBEU-RITPCOANSA-N	219.216	-0.473	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	1979918379	JHAZMOFCMIKIQP-HNJRMYHASA-N	227.308	-0.542	50	10	BBGE	
Cc1cc(C)n(-c2ncccc2B(O)O)n1	1981465074	JHVXJJXBMFSUTR-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1cnc(Sc2ncccn2)nc1	1981465618	OYMHIFCKOJGOTN-UHFFFAOYSA-N	234.049	-0.902	50	10	BBGE	
C[C@H]1CC[C@@H](Cn2ccc(B(O)O)n2)OC1	1981581910	JMWXZYYJQQJTLH-IUCAKERBSA-N	224.069	-0.622	50	10	BBGE	
NCCn1cc(C(=O)NC2CC(Cl)C2)nn1	1983216157	PKUCAWHCPIRLIO-UHFFFAOYSA-N	243.698	-0.264	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@H]2CCO[C@@H]12	1983237466	ADXYGWYTHAMAGZ-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@@H]2CF)n1	1986085119	SCIXQGMHFHUCRM-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](F)C[C@H](F)C1	1990775981	DFOLGDUAFOBHDV-YUMQZZPRSA-N	235.234	-0.464	50	10	BBGE	
C[C@@H](N)[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991647531	FLUUTZFQKPOCKB-SFYZADRCSA-N	246.694	-0.117	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)CCOCC(=O)NN)CO1	1996343578	XLFZXLRVFDHPRA-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
CN(Cc1cn(C)cn1)CC1(C(=O)NN)CC1	1997724373	AKIAEAQJWNIMRR-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(CCOCC(=O)NN)C1	2001933726	PWIBPOVJAZFJRT-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
Cc1nc2n(c1C)CCN(CCC(=O)NN)C2	2004306974	OEIKWSQDSOAKSF-UHFFFAOYSA-N	237.307	-0.304	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CCC[C@H]3C2)nc1	2004917022	SWAMGNGJWXRHDD-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(C2CC2)C1	2005018681	WZINQQQPHPQWCO-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
C[C@H]1CC[C@H](Cn2cc(B(O)O)ccc2=O)O1	2008840215	IZUMLUIIBIMCFY-WCBMZHEXSA-N	237.064	-0.904	50	10	BBGE	
CCOCCOCCOC[C@H]1C[C@@H]1C(=O)NN	2010594299	IKKOOHCPVZVSAD-ZJUUUORDSA-N	246.307	-0.318	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1COC2CC1C2	2011812382	HLVYEGQWXZGBCR-HORUIINNSA-N	243.307	-0.900	50	10	BBGE	
CO[C@@]1(C)C[C@H]2C[C@H]1C[C@H]2NC(=O)C(=O)NN	2012974112	BPNZRWBNJJTKOF-UVMAFCGOSA-N	241.291	-0.704	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CCC[C@H]2F)n1	2020493220	JJRGWTZKUOSUCJ-BDAKNGLRSA-N	240.043	-0.266	50	10	BBGE	
CCCN(c1ncc(B(O)O)cn1)C1CCC1	2020636635	FEUWVBMMVRSLIY-UHFFFAOYSA-N	235.096	-0.075	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(-n2cc(F)cn2)n1	2021030128	QDAWEXSGIKUXIV-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
Cc1ccnc(C(=O)NCC#CB(O)O)c1C	2021156838	DDPSDNZTCOZESH-UHFFFAOYSA-N	232.048	-0.556	50	10	BBGE	
OB(O)c1ccc(CN2O[C@H]3C=C[C@H]2C3)cc1	2021868984	STHQCHPVZAVNLL-RYUDHWBXSA-N	231.060	-0.189	50	10	BBGE	
COC[C@@H](C)NC(=O)c1ccccc1B(O)O	2022196242	JNONEJZPBZRWKO-MRVPVSSYSA-N	237.064	-0.869	50	10	BBGE	
C#CC1CN(C(=O)c2ccccc2B(O)O)C1	2022200113	OMQBZFLWQTUKTF-UHFFFAOYSA-N	229.044	-0.928	50	10	BBGE	
CN1CC(COCc2cccc(B(O)O)c2)C1	2022696822	AOPZUCUHQBMNQG-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
NNC(=O)C12COC(CN3C[C@H]4C[C@@H]4C3)(C1)C2	2023853360	LPOLNONVJJIMSR-WWAQEKKBSA-N	237.303	-0.523	50	10	BBGE	
OB(O)c1ccccc1OCCCn1cncn1	2028722945	SYILBIMGMPMZBL-UHFFFAOYSA-N	247.063	-0.573	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C1CN(C)C1	2030285056	AMVWDNNMIGCTFM-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2cn(C)cn2)c1	2034037294	JCPQIRUVPBUBMC-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CC2(CC2)C1	2036188038	GDQGSWNXEWBBSW-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1ccc(N2CCn3cccc3C2)nc1	2052470676	HEVVYTIHPNQHDZ-UHFFFAOYSA-N	243.075	-0.417	50	10	BBGE	
N#Cc1cc(Cl)c(C=O)c(B(O)O)c1	2060094706	ZZKJZWWTXXAODK-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1cc(N(C)C[C@H]2CCN2C)ncc1B(O)O	2066395263	PKGKWNGSJZAFEA-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1Cc2cc(O)nnc2C1	2085237354	MIMRPULQLFGCJX-SVRRBLITSA-N	249.274	-0.876	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nc(C)n(C)n1	2211608541	GWEOGQQSCREZGT-SSDOTTSWSA-N	246.698	-0.006	50	10	BBGE	
CCON(C)CC1(C(=O)NN)CCOCC1	2212444529	KVBGMUGVPIAZAV-UHFFFAOYSA-N	231.296	-0.344	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN(CCCO)C1CC1	2215770926	FDTMZJGSPXCSHC-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)C[C@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2215772453	OFIXRPQBUZCUET-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
CCN(CCN(C)C)C[C@@H]1CC[C@H]1C(=O)NN	2215775787	IYBDTENDIXQFFU-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
OB(O)c1cccnc1NCCc1nccs1	2217176250	UEWIHGDOTBAKHE-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
CC1(Nc2nccc(B(O)O)c2F)CC(O)C1	2217180645	ISYTYLNWTDOWMF-UHFFFAOYSA-N	240.043	-0.774	50	10	BBGE	
COC[C@@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2217181116	YLEOKLWYODCFAL-QMMMGPOBSA-N	238.096	-0.814	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCOC2)cc1B(O)O	2217184267	RHZSGHVAYLQDFO-SECBINFHSA-N	236.080	-0.339	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)CO1	2217203032	OQUBVLWSPPHLHQ-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccccn1	2223635878	CMTAOXOVAYLZDV-UHFFFAOYSA-N	243.075	-0.189	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)nc1	2223643988	CRUJFMFASPDKQJ-NNRMUWNLSA-N	242.087	-0.316	50	10	BBGE	
Cc1cnc(N2CC(CCCN)C2)cc1B(O)O	2223647425	XTRPVIXUEGPDAL-UHFFFAOYSA-N	249.123	-0.755	50	10	BBGE	
Cc1cnc(N[C@]23CC[C@@H]2CNC3)cc1B(O)O	2223649655	BLNCKVYFBPFLAK-SKDRFNHKSA-N	247.107	-0.766	50	10	BBGE	
CCCN(c1ncccc1B(O)O)[C@@H]1CCNC1	2223667866	VQILQJMFUFTJSJ-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cnc(N[C@@]2(C3CC3)CCOC2)nc1	2223672259	STRGUBFPEPGUDB-NSHDSACASA-N	249.079	-0.863	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@]23CCC[C@@H]2C3)[nH]c1	2223674528	QHKDSMOPYDPTGZ-BXKDBHETSA-N	247.107	-0.430	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C12CC(CO1)C2	2223674929	NZFHRYGZVUALCH-JYPKXMCJSA-N	249.079	-0.864	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCNC23CCC3)c1	2223676342	ZVCOJXXDHUMSFJ-JTQLQIEISA-N	247.107	-0.542	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC[C@H]1C[C@H]1C1CC1	2224024477	GRYIWLBUCABHKK-ONGXEEELSA-N	248.091	-0.641	50	10	BBGE	
CSC[C@H](C)N(C)C(=O)C#CB(O)O	2241467821	BMFRLUBVITYAKX-ZETCQYMHSA-N	215.083	-0.788	50	10	BBGE	
CCCC1(O[C@H](C)C(=O)NN)COC1	2242118167	JYVBYOOLSGIGDN-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2CCCC[C@H]21	2243349483	MEAUNGRKZIEQHS-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
CCON(CC)C(=O)c1cc(B(O)O)c[nH]1	2243356079	BDKYMJKHRYOGTA-UHFFFAOYSA-N	226.041	-0.892	50	10	BBGE	
Cc1occc1CN(C)C(=O)C#CB(O)O	2243357554	YHZJTPYZIMITNC-UHFFFAOYSA-N	221.021	-0.438	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1csc(B(O)O)c1	2243361949	JPAWLEFCIIFJNG-SVRRBLITSA-N	239.105	-0.092	50	10	BBGE	
COC[C@H](CF)NC(=O)C1(B(O)O)CCC1	2243363473	HEWCZRXMEMEIGZ-ZETCQYMHSA-N	233.048	-0.516	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1=O	2243382059	LCBRZKCFUWACFK-PRJMDXOYSA-N	225.053	-0.366	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2243393080	ZXPZJDCZMFGPEQ-KYZUINATSA-N	226.085	-0.987	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1(C)CC1	2243398396	DCTPHDVJQWNNJR-UHFFFAOYSA-N	222.053	-0.681	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2243410436	BNJFVFXRVOLUJO-SFYZADRCSA-N	227.069	-0.635	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H](C)C[C@@H]1C)B(O)O	2243412427	MPYUQSKWRQPFLS-CBAPKCEASA-N	247.125	-0.385	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@@H]2C[C@H]2C1)B(O)O	2243414824	ITTFKCCWEPUBSB-BDAKNGLRSA-N	245.109	-0.774	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2243419592	CAZWCLMZFOTCEN-BGZDPUMWSA-N	227.069	-0.467	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCOC2)[C@H]1C[C@@H]1B(O)O	2243420714	XXHRPGQTNILJHA-OORONAJNSA-N	225.053	-0.856	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(c2nncs2)C1	2244052544	XCJRYKBXTXEMPI-SSDOTTSWSA-N	241.320	-0.294	50	10	BBGE	
CN(C)C(=O)CCN1CCC(B(O)O)CC1	2244170321	GNFQDJBJUPQTLF-UHFFFAOYSA-N	228.101	-0.597	50	10	BBGE	
COCCCOc1cc(B(O)O)c(Cl)cn1	2245916362	BGHSRCSUSPWQEA-UHFFFAOYSA-N	245.471	-0.170	50	10	BBGE	
C[C@@H](C(=O)Nc1ccc(B(O)O)cn1)C(F)F	2247492426	HIYLXXWEMJMGLC-RXMQYKEDSA-N	244.006	-0.399	50	10	BBGE	
C[C@@H](Cc1ccncc1)NC(=O)C#CB(O)O	2247738325	QFCZAHDRQPLPRH-VIFPVBQESA-N	232.048	-0.856	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1ccoc1B(O)O	2247740635	NKVCISXANUXGTR-CBAPKCEASA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@]1(F)C[C@@H](CO)C1)C1(B(O)O)CC1	2247750587	LSSPXXPQYGODQF-OTSSQURYSA-N	245.059	-0.780	50	10	BBGE	
CON(C)C(=O)c1c(F)cc(B(O)O)cc1F	2247752245	LPLJSGZABWOQJT-UHFFFAOYSA-N	244.990	-0.722	50	10	BBGE	
Cc1cccc(C(=O)N2CCCC2)c1B(O)O	2247752832	WQHZYNLXCNWPIZ-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755915	LPVUNUIPFJIGCQ-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)ccc1C	2247760618	KWHPJCHYNUIDAK-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1CNC(=O)C1(B(O)O)CC1	2247763173	MANXIGBTJWUCAM-JGVFFNPUSA-N	240.112	-0.517	50	10	BBGE	
CC1CC(NC(=O)c2cncc(B(O)O)c2)C1	2247774947	FEXQCUKKXARPHV-UHFFFAOYSA-N	234.064	-0.710	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247785941	SSPXWSQHDILIFO-XCBNKYQSSA-N	237.068	-0.992	50	10	BBGE	
CCN(C(=O)c1cc(C)c(B(O)O)o1)C1CC1	2247788910	MTVBNZRGGPAHAN-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
C=C[C@]1(O)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247792008	PUVQDGSMWRUCEV-NGZCFLSTSA-N	239.080	-0.611	50	10	BBGE	
Cc1nc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)co1	2247793851	ZWDOOKDSYRQMQT-RKDXNWHRSA-N	238.052	-0.495	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1C(=O)C1CC(B(O)O)C1	2247800027	KMPCCLXRTIFHRK-WOOKNIGNSA-N	240.112	-0.422	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1(CCO)CCC1	2247810328	WKPXPJGXJDNRBY-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
NCC[C@@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2247847734	AZDJZBVATYNGLR-UWVGGRQHSA-N	238.096	-0.974	50	10	BBGE	
COc1cc(C)ccc1NC(=O)C#CB(O)O	2247848609	OECSRMBTGQAISL-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
CN(C[C@@H]1CC2(CC2)CO1)C(=O)C#CB(O)O	2247849865	GICRXHMDZBSWCY-VIFPVBQESA-N	237.064	-0.971	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)[C@H]1CC1(C)C	2247851441	GHGVMVMLVLAWQB-QMMMGPOBSA-N	237.064	-0.170	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)NC2CC2)c1	2247876138	JRLUKNZGXSAERO-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
Cc1c(NC(=O)C2(B(O)O)CCC2)nnn1C	2247878299	NCBVDZKYMFEXNN-UHFFFAOYSA-N	238.056	-0.541	50	10	BBGE	
O=C(N[C@]1(C2CC2)CCOC1)[C@H]1C[C@@H]1B(O)O	2247886693	FJMZIKWFYBVWMR-ATZCPNFKSA-N	239.080	-0.465	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1C[C@@H]1B(O)O	2247894436	GVTFXOFSXAIMPS-LOLPMWEVSA-N	239.080	-0.467	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1N	2247894534	HUQDHWUMPGPZST-CIUDSAMLSA-N	240.112	-0.565	50	10	BBGE	
Cc1cc(NC(=O)C[C@@H](C)O)ccc1B(O)O	2248440048	DPNFNZZHMWWQOS-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1C[C@H]1C	2248968790	RZNNODFUKSHMIV-HZGVNTEJSA-N	234.064	-0.792	50	10	BBGE	
CCON(C(=O)c1cocc1B(O)O)C(C)C	2249408590	RCZGXYFWUMBLRG-UHFFFAOYSA-N	241.052	-0.239	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1cocc1B(O)O	2249425266	DKKCIWVSVUPSNT-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
CCCC1(Oc2ccc(B(O)O)cn2)COC1	2250789340	JYOSEMDDXGRFSH-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
C#C[C@H]1CC[C@H](NC(=O)c2ccc(B(O)O)o2)C1	2255463352	HTCWXXDLSISLAK-IUCAKERBSA-N	247.059	-0.509	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CC[C@H]2C1	2255472514	GCNZNYJWGOINMY-IUCAKERBSA-N	248.091	-0.433	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(C)cc(B(O)O)c1	2255514036	CBVMOIYBWZKEDR-LBPRGKRZSA-N	245.087	-0.184	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nn1cccc1	2255514835	OEMIMSJDATVDRC-UHFFFAOYSA-N	244.059	-0.140	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255516928	RLGHWGURDHHARS-WPRPVWTQSA-N	248.091	-0.320	50	10	BBGE	
O=C(NCc1cc(C2CC2)n[nH]1)[C@@H]1C[C@@H]1B(O)O	2255563859	KCZHQFFNUANOBV-BDAKNGLRSA-N	249.079	-0.234	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC[C@H]2C[C@@H]21	2255684814	QSWWFOBXHZIJBL-CABZTGNLSA-N	245.087	-0.091	50	10	BBGE	
CCCC1(NC(=O)c2ccncc2B(O)O)CC1	2255723486	DMIKYDDTGUKMCP-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)cc1F	2255726910	IKNJWNYENIOPJX-SECBINFHSA-N	249.050	-0.046	50	10	BBGE	
CC=C1CN(C(=O)c2cccc(F)c2B(O)O)C1	2255727804	VPGMXZMNAGJTFD-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
O=C(NC1CC(n2cccn2)C1)[C@H]1C[C@@H]1B(O)O	2255768550	IEEVWEXXRFUGMO-QLEHZGMVSA-N	249.079	-0.434	50	10	BBGE	
Cc1ccnc(C(=O)N[C@]2(C)C[C@@H]2C)c1B(O)O	2255783117	ALPMETRIIAPQQH-QPUJVOFHSA-N	248.091	-0.402	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1C[C@@H]2C[C@H]2C1	2258125513	QXBRTPMGKXQVMW-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C1CCC1	2258134354	AFVJEKWZFHCVFR-LLVKDONJSA-N	247.059	-0.509	50	10	BBGE	
CC#CCC(=O)NCc1ccc(B(O)O)c(C)c1	2260831879	METCQODKVYENPD-UHFFFAOYSA-N	245.087	-0.296	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3OCC[C@H]23)nc1	2298224632	UOJBPJCWASFCLV-UTLUCORTSA-N	234.064	-0.649	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC[C@@H]2C[C@H]1CO2	2298296879	NICPKEZXOWFUSP-AEJSXWLSSA-N	239.080	-0.514	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCOC1	2298369022	GEMIDZCWFRDWAD-YWVKMMECSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369204	MNCYMOBXHPGLTQ-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298375122	YZTWGINLMURMKF-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@H]1B(O)O	2298377454	RTHWQQORZAKWPR-JDDHQFAOSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@H]1C(=O)O	2298463409	BAEHSUDMQOCRAI-ULAWRXDQSA-N	241.052	-0.972	50	10	BBGE	
C[C@@]1(CC(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298463735	ZFQNYWYTXLMFST-FWWHASMVSA-N	241.052	-0.685	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@H]21)[C@@H]1C[C@H]1B(O)O	2298759081	HXWQJNHILGDWTH-SGIHWFKDSA-N	238.096	-0.940	50	10	BBGE	
CCOc1ccc(CN(C)CC(=O)NN)cn1	2300610595	JMRSZEZYYQIWNP-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
CON(C)C(=O)Nc1cccc(C)c1B(O)O	2307515785	ZNHNGGJPIFGHAX-UHFFFAOYSA-N	238.052	-0.300	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]12	2312856612	DRJORRUNUNKYRA-DSPMHBFJSA-N	249.075	-0.974	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1ccc(B(O)O)cc1C#N	2317150243	CJTVQHPRHSISHO-QPUJVOFHSA-N	248.091	-0.191	50	10	BBGE	
C[C@]1(N)CCN(c2ccc(C=O)c(B(O)O)c2)C1	2317313001	PQQAQWFPMCDONU-LBPRGKRZSA-N	248.091	-0.894	50	10	BBGE	
O=CNNS(=O)(=O)c1ccccc1	6581552	XJTTWAGPSKQGMF-UHFFFAOYSA-N	200.219	-0.374	50	10	BBGE	
O=C=N[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	19732412	YAZYJQMZAJIFHB-YUMQZZPRSA-N	244.272	-0.890	50	10	BBGE	
CC[C@H](OC[C@H]1CCCO1)C(=O)NN	82463852	NVEUMRIUEMAWTN-SFYZADRCSA-N	202.254	-0.050	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCS(=O)CC1	82469750	SJZCOFRCPAEFQO-QMMMGPOBSA-N	233.337	-0.791	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccc([N+](=O)[O-])n1	82471662	KXAATWQLNQAJSL-YFKPBYRVSA-N	213.197	-0.268	50	10	BBGE	
CC(C)[C@H](SC[C@@H](O)CO)C(=O)NN	86661911	ORPMQKCAIJUESE-BQBZGAKWSA-N	222.310	-0.913	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	93072068	ULGLMGFOJISZOT-RKDXNWHRSA-N	244.339	-0.541	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCC[C@@H]2C1=O	125123502	SPIAPQYUMPAWGJ-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
C[C@@H]1C(=O)NCCN1C[C@H](Cl)C#N	132532630	RQROMTZUWKCFLN-RNFRBKRXSA-N	201.657	-0.062	50	10	BBGE	
N#Cc1ccsc1C(=O)NNC(=O)CO	180946150	XPPUGGMNQORLNR-UHFFFAOYSA-N	225.229	-0.627	50	10	BBGE	
COc1ccnc(NNC(=O)[C@H](C)N)n1	195159533	DMSUPRFVPWKJLF-YFKPBYRVSA-N	211.225	-0.725	50	10	BBGE	
C[C@H]1OCC[C@H]1N(C)Cc1cccc(B(O)O)c1	211162317	IVQPTXHCKMVVGK-ZWNOBZJWSA-N	249.119	-0.024	50	10	BBGE	
NNC(=O)C(=O)NC1Cc2ccccc2C1	236214248	MMPBJNDMQXLNFG-UHFFFAOYSA-N	219.244	-0.740	50	10	BBGE	
CN(CC(=O)O)NC(=O)CCCCCN	238318463	CRFLPGZZTQXILZ-UHFFFAOYSA-N	217.269	-0.447	50	10	BBGE	
COC(=O)N1C[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]1C	253486360	WNDOKIJVJFYFNY-HCWXCVPCSA-N	213.189	-0.227	50	10	BBGE	
Cc1ccn(Cc2ccc(B(O)O)cc2)c(=O)n1	300883690	LUJNPNFGTPLSHJ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
O=C1C[C@@]2(CC(=O)N3CCC[C@@H]32)C(=O)O1	300947455	FCRGMYQWEDLTKY-LHLIQPBNSA-N	209.201	-0.159	50	10	BBGE	
O=C1N[C@H]2[C@@H](Br)C[C@H]1[C@H]2O	306311942	ZBBRHTADBLAAFF-NEEWWZBLSA-N	206.039	-0.371	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)C1(C)C	307116648	ZBVTZYSXGOTKHC-RQJHMYQMSA-N	201.270	-0.790	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1CCO	308864114	KOHZTSKWEUYSBW-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)N(C)C)CC[C@@H]1N=C=O	309140329	WFWNMBFZIGMOBU-IUCAKERBSA-N	247.320	-0.161	50	10	BBGE	
CC[C@H](N)C(=O)NNC(=O)c1ccoc1	309360401	AJVQDJJTOGUBKJ-ZETCQYMHSA-N	211.221	-0.222	50	10	BBGE	
CN(C)C1CN(Cc2cccc(C(=O)NN)n2)C1	382324726	CHMUGQZUPJPNHW-UHFFFAOYSA-N	249.318	-0.569	50	10	BBGE	
Cc1ncn(CCCC(=O)NN)c(=O)c1C	395497018	NUTGBCIGJRSDFA-UHFFFAOYSA-N	224.264	-0.370	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@](C)(O)C1	395812254	LRLUMOGRTCGRGC-KCJUWKMLSA-N	229.324	-0.152	50	10	BBGE	
Nc1cc2sc(B(O)O)cc2cc1C(=O)O	396238418	HYFLNVRUEJGZAC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H](CCl)C(=O)NCc1nnn(C)n1	398027809	BGFDTPJDYZDMHV-YFKPBYRVSA-N	217.660	-0.299	50	10	BBGE	
COC(=O)N(C)Cc1csc(B(O)O)c1	405185546	NFHRYZVISFXURB-UHFFFAOYSA-N	229.066	-0.374	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]2C1	685958280	WKEYGAKNJVVDLE-OLQVQODUSA-N	205.208	-0.437	50	10	BBGE	
CN(CCNC(=O)CCCl)S(C)(=O)=O	692466435	ZRCOAHOTNMNOLK-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
C[C@H](CN1CCC[C@H](C#N)C1)C(=O)NN	693906992	HRJFQIKTMMGTPR-RKDXNWHRSA-N	210.281	-0.152	50	10	BBGE	
CN(C)CCC1CCN(CC(=O)NN)CC1	701443649	CNBZWZKAZRQFGF-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
CC(C)[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	703477574	YWIDZAZOUKFUAQ-XHNCKOQMSA-N	227.260	-0.080	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](CO)[C@@H](CO)C1	705328806	ICDJAJUBANWBLP-IWSPIJDZSA-N	235.711	-0.080	50	10	BBGE	
O=S(=O)(CCCCl)Nc1nn[nH]n1	709814292	PDNCFWAENWUYCH-UHFFFAOYSA-N	225.661	-0.430	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)CCS(N)(=O)=O	719722355	KCRMDOXWRUVOKB-YFKPBYRVSA-N	228.701	-0.639	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)[C@H](C)CC(=O)NN	724143881	ZAAYJEJYDORVKE-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](Cl)C(=O)NC1=[S+][C@@H]([N+](=O)[O-])C=N1	725538451	CALOTRPHPUMOEL-IUYQGCFVSA-O	236.660	-0.413	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)CC1CC1	755286055	JAJPHNUNPLOLST-UHFFFAOYSA-N	222.248	-0.100	50	10	BBGE	
CCOc1ccc(B(O)O)c(C)c1C(=O)O	757175318	CFGVVFDKDWZIBY-UHFFFAOYSA-N	224.021	-0.228	50	10	BBGE	
COCC(=O)NN=Cc1ccnc(C)n1	814871176	IVFDYXLMWFHBRR-UHFFFAOYSA-N	208.221	-0.118	50	10	BBGE	
Cc1c(C(=O)NNC(=O)C#CC(C)C)nnn1C	854893948	RYGKCPULWSNGCS-UHFFFAOYSA-N	249.274	-0.456	50	10	BBGE	
CC(C)=C(C)C(=O)NNC(=O)c1cn(C)nn1	855188313	HXYRPSPOVBGONV-UHFFFAOYSA-N	237.263	-0.068	50	10	BBGE	
CNc1cnc(C(=O)NN(C)CCOC)cn1	861657110	MUGKSSZDAZDKSK-UHFFFAOYSA-N	239.279	-0.259	50	10	BBGE	
C#CCCCC(=O)NNC(=O)OC1COC1	902985074	KAWOTDPZKNQQAD-UHFFFAOYSA-N	226.232	-0.054	50	10	BBGE	
Cc1ccc(Cn2cc(B(O)O)cn2)s1	953049244	ZXASGNNLZYNUEI-UHFFFAOYSA-N	222.078	-0.019	50	10	BBGE	
CCNC(=S)NNC(=O)c1cnsn1	1119563472	FWUSTCZTEOMFJP-UHFFFAOYSA-N	231.306	-0.333	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cncc(O)c1	1142141895	GCSVCDJDOCENQB-UHFFFAOYSA-N	224.220	-0.710	50	10	BBGE	
Cc1coc(C(=O)NNC(=O)c2cnn[nH]2)c1	1293052555	HSEMTTQLSMSDFX-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
N#CCCNC(=O)c1cc(B(O)O)ccc1F	1297147440	FVWRPRRKOUUKNX-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
CCO/C=C\C(=O)NNC(=O)c1ncon1	1304247048	SMVDEVCMFZLWAI-ARJAWSKDSA-N	226.192	-0.619	50	10	BBGE	
Cc1nc(CNC(=O)NNc2ncccn2)n[nH]1	1313383150	UEHWOLAWXCURGP-UHFFFAOYSA-N	248.250	-0.271	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)c2ncon2)C1	1539050964	MOHQNYZRGIBQMM-PHDIDXHHSA-N	240.219	-0.744	50	10	BBGE	
Cn1cc(C(=O)NNc2cccnn2)nn1	1632515232	BTNQGIVRVAVKMG-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)N2CC(CO)C2)cn1	1637212053	FOEDUZGSPYZHBF-FUQNDXKWSA-N	246.270	-0.222	50	10	BBGE	
COC(=O)N(C)NC(=O)NCc1cnn(C)n1	1681321382	AKQSNIWUGIMZKQ-UHFFFAOYSA-N	242.239	-0.773	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NC1CC(Cl)C1	1881719460	RHUGGDGWRQMXPG-BLOUUBGSSA-N	206.673	-0.420	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H]2COC[C@@H]21	1889522811	FOVQPDLRIMKBCD-NKWVEPMBSA-N	241.696	-0.388	50	10	BBGE	
COCC1(CN(C)CC(=O)NN)CC1	1892113440	RIMHFAZSEKARJQ-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CN1CCC[C@@H](OCCC(=O)NN)C1	1895024908	GNYHVZWZLWILNB-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CSCCCC(=O)NCC#CB(O)O	1895240083	VTAZWALVOSFQGB-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](C)CN1	1901376522	BMJBEXYNXMXXOC-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CN(NC(=O)[C@@H](N)C1CCCC1)S(C)(=O)=O	1901376802	GFNARDQIYFLUDG-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](F)C2=O)CCC1	1901645916	AXHCZONTGRVGHS-ZETCQYMHSA-N	229.255	-0.283	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@@H](C)[C@H](C)C(=O)NN	1902092853	VACFTDIJFIXYKP-LPEHRKFASA-N	231.340	-0.050	50	10	BBGE	
CCc1ccn(Cc2nc(B(O)O)cs2)n1	1902657141	SNJPJPHSWVPUAH-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
O=C(NC1(C(=O)O)CCNCC1)[C@@H]1C[C@@H]1Cl	1904966290	NVTYPPBGIRFOFR-RQJHMYQMSA-N	246.694	-0.063	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN2CCC[C@H]2C1=O	1906993837	MURIAHGPAHUCEC-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H]1CCN(c2ncncc2B(O)O)C[C@@H]1F	1907071949	BYTSGQUGKVEMHT-APPZFPTMSA-N	239.059	-0.659	50	10	BBGE	
CCN(C[C@@H]1CC[C@H](C(=O)NN)O1)C1COC1	1908715489	LLKDKIHDUZEBMG-VHSXEESVSA-N	243.307	-0.755	50	10	BBGE	
CO[C@@]1(C)CCN(CC(=O)NN)C[C@@]1(C)OC	1910483976	QPTSZIQLDMWGJS-WDEREUQCSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@@H](CO)[C@@H]2C1	1911276740	LXMXWHPXANQDOQ-XLPZGREQSA-N	249.261	-0.828	50	10	BBGE	
CCC[C@@H](N=S1(=O)CCOCC1)C(=O)NN	1913862071	NVLXMYKXRBWGNS-MRVPVSSYSA-N	249.336	-0.357	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CC#N)C1	1915063826	WWVSFVZNNJWTNI-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
CN[C@@H]1COC[C@H]1C(=O)N1CC=C(C#N)CC1	1917052029	HVAQMTREWCDXIM-GHMZBOCLSA-N	235.287	-0.097	50	10	BBGE	
CC(=O)NNC(=O)CSC(=N)N(C)C	1920082062	IFCNNXXRDCHRIS-UHFFFAOYSA-N	218.282	-0.617	50	10	BBGE	
N#CC1(O)CCN([C@H]2COC[C@@H]2N)CC1	1928976184	IIGNQEBSDWKQSD-IUCAKERBSA-N	211.265	-0.937	50	10	BBGE	
O=C(NNCCO)c1cc([N+](=O)[O-])c[nH]1	1929837243	XFEFKMKYBGSDIK-UHFFFAOYSA-N	214.181	-0.850	50	10	BBGE	
CCCN(CCCO)CCCC(=O)NN	1930055844	JUFRORKKAPHJCH-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
C[C@H]1CCS[C@H]1C(=O)NNC(N)=S	1930928328	OETOQCCLKGALFR-CRCLSJGQSA-N	219.335	-0.008	50	10	BBGE	
CO[C@H]1CNC[C@H](C(=O)NN(C)C)C1	1934668634	JSXKXIDNXDHOAG-HTQZYQBOSA-N	201.270	-0.796	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H](CO)C1	1935945099	QTJINQUOMCPXMD-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
CCON(CC)C[C@@H]1CC[C@@H](C(=O)NN)O1	1937109049	WMZZSSLMLWDIMD-IUCAKERBSA-N	231.296	-0.203	50	10	BBGE	
CCC[C@@]1(O)CCN([C@H](CC)C(=O)NN)C1	1937987910	UILMNSPCDCHRSU-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@H]2CCC[C@@H]21	1940887345	KPWAFGZCRGOCDL-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941082489	GTDWKLMDCRUJAD-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(n2cccn2)C1	1941085608	MXDIBFMPZLUSDS-SCZZXKLOSA-N	235.291	-0.634	50	10	BBGE	
COCCN([C@H](C)CC(=O)NN)[C@@H]1CCOC1	1946755071	SGNBWVKIBUTIJJ-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CN1CCOC[C@H]1C(=O)N1CC=C(C#N)CC1	1949990618	AUQMFJAPIYGYLY-NSHDSACASA-N	235.287	-0.001	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@@H](N)C1	1954208836	ULAMVTCQKADSOD-RNJXMRFFSA-N	203.673	-0.489	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]1C(F)F	1954450576	HIPJVDBVVBFRGO-PWNYCUMCSA-N	209.221	-0.248	50	10	BBGE	
CCN1CCN(C[C@@H](O)CCl)CC1=O	1956255784	DFCSNWGPUKPAMK-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
C[C@@H]1CCCN1c1ncc(B(O)O)cn1	1961682342	YNUHATCOJOLHSB-SSDOTTSWSA-N	207.042	-0.855	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H]1CCS(=O)(=O)C1	1974785689	OLSLLSALKPGXCX-YUMQZZPRSA-N	249.719	-0.222	50	10	BBGE	
COC(=O)N[C@@H](C)c1cc(B(O)O)cs1	1974923553	RJENJIGMJPMINW-YFKPBYRVSA-N	229.066	-0.155	50	10	BBGE	
CCc1noc(CN(C)[C@@H](C)C(=O)NN)n1	1976746648	XBKXTDUFDRIVPO-LURJTMIESA-N	227.268	-0.558	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]1c1ncon1	1976762263	YXGGGEJKQLOCIK-SSDOTTSWSA-N	225.252	-0.414	50	10	BBGE	
Cc1nc(Cl)nc(C)c1C(=O)NCB(O)O	1980604404	GNPWEPOXNBRSIG-UHFFFAOYSA-N	243.459	-0.511	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@H](F)C2)nc1	1981412167	RPJQBQAIHDPPRG-VIFPVBQESA-N	224.044	-0.300	50	10	BBGE	
Cc1ccnc(N2CC(C)(C)C2)c1B(O)O	1981414743	VQRIJXCWHLNKOI-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCCOC1	1981430898	SXNPQKVPHFVIJW-MRVPVSSYSA-N	223.037	-0.681	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)c1ncc(B(O)O)cc1F	1981530860	QZONRTRPAKSARN-RCOVLWMOSA-N	224.044	-0.255	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1C[C@H]1F	1982807994	INULINWGEKPAIA-POYBYMJQSA-N	223.012	-0.337	50	10	BBGE	
NN=c1ccc(C(=O)NC2CC(Cl)C2)n[nH]1	1983210575	AKMOGQSKPFFNRU-UHFFFAOYSA-N	241.682	-0.316	50	10	BBGE	
CCCN(CCO)CCC(F)(F)C(=O)NN	1984130161	OWEALAPAOMBQEI-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
NC(=O)[C@H]1COCCN1C(=O)C=CC(=O)Cl	1991662256	JLRYEWGMPQBAOO-ZCFIWIBFSA-N	246.650	-0.979	50	10	BBGE	
Cn1nnnc1CCNC(=O)/C=C/C(=O)Cl	1991709488	KHHJDRFIOQMAKC-NSCUHMNNSA-N	243.654	-0.810	50	10	BBGE	
CCC[C@@H](COC)C(=O)NCC#CB(O)O	1992142934	MBEYJVDMOUUIQL-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
C=C(COCCCN1CCOCC1)B(O)O	1992145481	GJRWKAHWISBGDC-UHFFFAOYSA-N	229.085	-0.707	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)s1	1992152986	KEHMNMLWVWQWGW-UHFFFAOYSA-N	239.061	-0.498	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)C=CC(=O)Cl)C[C@H]12	1993441143	UVKBKTJKKZWTKA-WDSKDSINSA-N	242.662	-0.502	50	10	BBGE	
CC1(C)[C@@H](O)CN1CCC(F)(F)C(=O)NN	1993464228	MGIUKLSUCMEIFH-LURJTMIESA-N	237.250	-0.543	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]1(C)CCO	1994706754	IKJNEXLBMHNWQS-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CC(C)(CN1CC(N2CC(F)C2)C1)C(=O)NN	1996926102	JTYNMKILFFXSNV-UHFFFAOYSA-N	244.314	-0.660	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC([C@@H](F)CO)C1	2001910923	NJYFUEFZHPKGRL-IUCAKERBSA-N	247.314	-0.347	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@@H]2C[C@@H]21	2003506168	PBRITZOJFUXVFV-APPZFPTMSA-N	235.291	-0.382	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)CC12CC2	2003755752	VMEZNYNJGAMYHS-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCNC(=O)[C@H]1C(C)C	2003812117	IVQAPPUGTBUIJT-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
Cc1ccnc(N2CCO[C@H]3C[C@H]32)c1B(O)O	2004916300	KEPFCLLPHLTSQJ-BDAKNGLRSA-N	234.064	-0.953	50	10	BBGE	
C[C@H]1C[C@]1(C)CN(C)c1ncc(B(O)O)cn1	2004918917	RPXROJXRKYCBJV-GZMMTYOYSA-N	235.096	-0.361	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Oc1ccncc1B(O)O	2004950349	DWQBMYCSGSAZKT-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
CN(CC(=O)NN)C1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2006094328	MUFDZOVLWAZVOB-GWOFURMSSA-N	239.319	-0.136	50	10	BBGE	
CC[C@H](Oc1cncc(C(N)=O)c1)C(=O)NN	2007700857	NLSKHAPAWURZBN-QMMMGPOBSA-N	238.247	-0.672	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CCOCC(=O)NN	2008785435	MKUZNFUBUVKRTE-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H](CO)C12CC2	2016079621	HYUHWPGUCPHDLO-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H]2COC[C@H]21	2017525965	XPEKAADVJXWLIP-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
CC[C@H]1CN(CC(=O)NNC(C)=O)CCN1C	2019210210	MEOKIDHEUXHVQI-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
CCCN(CCN(C)C)CC(=O)NNC(C)=O	2019217632	AFQLGDRKAYFZOE-UHFFFAOYSA-N	244.339	-0.573	50	10	BBGE	
OB(O)c1cc(Cn2cc(F)cn2)ccc1F	2021031272	ZRWPTJAIOKNVKM-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
NNC(=O)CN1C(=O)CC2(CCCC2)CC1=O	2025918028	AIXWBFUJPUVFTB-UHFFFAOYSA-N	239.275	-0.314	50	10	BBGE	
Cc1ncnc(N(C)CC2[C@H](C)[C@H]2C)c1B(O)O	2052558311	UGVUJIOGBUDEBN-HTQZYQBOSA-N	249.123	-0.197	50	10	BBGE	
CC1(Cn2cnc3c(B(O)O)ncnc32)CCC1	2055733838	LHZGSTMWONFQIC-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
CCOc1cc(OC)c(OC)cc1B(O)O	2060047911	MNVYIZWQTFNVKB-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1CO[C@H]2C[C@@H]1C2	2063130905	SPOGXHYQUBPCAA-SBMIAAHKSA-N	248.091	-0.625	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@@H]2COC3)nc1	2077831238	SCPSQCNQZSRNEV-PHIMTYICSA-N	248.091	-0.481	50	10	BBGE	
C=C(CO)CCNC(=O)c1ccccc1B(O)O	2079010028	XBQACAAABUHLHO-UHFFFAOYSA-N	249.075	-0.965	50	10	BBGE	
O=C(CS)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	2209300919	QYXWZQACWONMNK-WHFBIAKZSA-N	243.737	-0.563	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)s2)CCO1	2211077529	FGRAMYFDNNFJAW-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
OB(O)c1csc(CN2CCOCCO2)c1	2211079363	ULAOJASVJMQRHW-UHFFFAOYSA-N	243.093	-0.808	50	10	BBGE	
C=CC[C@H]1CCN1c1ccc(B(O)O)cn1	2212612574	MDSCSWVGADFYTJ-JTQLQIEISA-N	218.065	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1[C@H]2CC[C@H]1COC2	2215772044	LOZXHCZKWIXBGP-RCWTZXSCSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CCC(=O)NN)OC[C@@]1(C)COCCO1	2216071548	DBWXLCQTBZKIRM-MWLCHTKSSA-N	246.307	-0.033	50	10	BBGE	
OB(O)c1ccnc(N2Cc3ncsc3C2)c1	2217177889	OUIMDCKDJPRDAF-UHFFFAOYSA-N	247.088	-0.262	50	10	BBGE	
CC(C)[C@H](CCO)Nc1ccc(B(O)O)cn1	2217179594	NBEJRIZKAUAJDQ-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccnc(Nc2cncnc2)c1F	2217180038	QABOOGCOZIGUOV-UHFFFAOYSA-N	233.999	-0.566	50	10	BBGE	
CCC[C@@H](N)CNc1nccc(B(O)O)c1F	2217185002	XMQQUKKJRWJLMZ-SSDOTTSWSA-N	241.075	-0.560	50	10	BBGE	
CC[C@H](CNC)Oc1nccc(B(O)O)c1F	2217187025	SCLLJVNXUSSKGH-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
CC[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CO1	2217197149	KLKOWMCEKQPEIR-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
CC1(C)C[C@H](Nc2ncccc2B(O)O)[C@@H]1O	2217197999	UVHHLUYTYHFXOW-IUCAKERBSA-N	236.080	-0.667	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2ccc(B(O)O)cn2)[C@@H]1C	2217202515	KKVBLFOEYIWUFF-KHQFGBGNSA-N	236.080	-0.403	50	10	BBGE	
CO[C@@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217204363	IPIIUGQPQKWODV-DTWKUNHWSA-N	236.080	-0.259	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCC[C@@H](N)C1	2223648242	JAEPEFBCETWJEF-NXEZZACHSA-N	249.123	-0.533	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCCNC1	2223653919	VVJDIWLUZQJRFT-GFCCVEGCSA-N	249.123	-0.437	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2N[C@@H]3CC[C@H]2C3)nc1	2223660497	MFRAITDLIXAODD-JMJZKYOTSA-N	248.091	-0.719	50	10	BBGE	
N#CCCN(CCC#N)c1ncccc1B(O)O	2223673049	DHGMUDMTRPWNDN-UHFFFAOYSA-N	244.063	-0.605	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	2242105127	BHYNMNPQXBSCGA-FXQIFTODSA-N	220.700	-0.348	50	10	BBGE	
C[C@H]1COCCN1C(=O)C1(B(O)O)CCC1	2243347568	NWQWVHOYXZGUOE-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1C[C@@H]2CC[C@H]2C1	2243350044	UTOREKXEUXYWLH-IUCAKERBSA-N	221.065	-0.351	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CC2)o1	2243363105	BCZAXQHSVJBAEQ-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)C1(B(O)O)CC1	2243363647	KBKIYIZLOHMPGQ-VIFPVBQESA-N	221.065	-0.136	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)N(C)O	2243409893	QNOOKJAUOAFUAY-UHFFFAOYSA-N	226.041	-0.790	50	10	BBGE	
Cn1cccc1CNC(=O)C1(B(O)O)CC1	2243411044	MWDZUIGXJGFOHE-UHFFFAOYSA-N	222.053	-0.352	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1occc1B(O)O	2243411436	TWPQJLRHEVCKPI-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
O=C(NCCOCCF)[C@H]1C[C@H](B(O)O)C1	2243427435	VHZXMFFEVBUPQE-ZKCHVHJHSA-N	233.048	-0.658	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1(B(O)O)CC1	2243753071	QEEIWAVGEGYAQU-ZCFIWIBFSA-N	229.041	-0.637	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1cc(B(O)O)co1	2244221268	LEUKGECWEDLPLH-CAHLUQPWSA-N	227.000	-0.953	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1coc(B(O)O)c1	2247733079	MAQUROSNCGZOAR-MRVPVSSYSA-N	236.036	-0.619	50	10	BBGE	
CCN(CC)CC(C)(C)NC(=O)C#CB(O)O	2247742538	QCHRZQNVNCOTCT-UHFFFAOYSA-N	240.112	-0.762	50	10	BBGE	
CC(C)[C@H](COC(F)F)NC(=O)C#CB(O)O	2247747693	REMSZYMOVUBLOQ-ZETCQYMHSA-N	249.022	-0.618	50	10	BBGE	
C[C@H]1CC[C@@H](CNC(=O)C2(B(O)O)CC2)N1C	2247755067	GKOGFAIYFVDMTB-IUCAKERBSA-N	240.112	-0.408	50	10	BBGE	
CNCCC[C@@H](C)N(C)C(=O)C1(B(O)O)CC1	2247757976	TUMRPWJMJLDOQX-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
NCc1cccnc1NC(=O)[C@H]1C[C@H]1B(O)O	2247804055	DYHRSRGSJBHTJG-JGVFFNPUSA-N	235.052	-0.658	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247805309	BDQUTSZOXVLRAN-UTINFBMNSA-N	240.112	-0.552	50	10	BBGE	
CC1(CF)CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247849418	ZTHSWVKEDKTAPJ-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@H]1CCC[C@@](O)(CNC(=O)C#CB(O)O)C1	2247851846	KYEHATQSPWHMHS-ONGXEEELSA-N	239.080	-0.941	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)C1(B(O)O)CCC1	2247852943	CTAOVLOQFIKMHW-BDAKNGLRSA-N	241.096	-0.197	50	10	BBGE	
CC1(C)CN(C(=O)c2ccc(B(O)O)cn2)C1	2247868099	CGUTWMCTOKBFDT-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
C[C@@H](CCN(C)C)NC(=O)C1CC(B(O)O)C1	2247893718	WYQCVJLXCDKFCZ-IDKOKCKLSA-N	242.128	-0.304	50	10	BBGE	
NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247894104	CIKYGOZKXCVQJU-VVULQXIFSA-N	238.096	-0.955	50	10	BBGE	
COC1CC(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894316	FOLUUMCWPWFIDC-LRHSEUGZSA-N	241.096	-0.219	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897379	RNOXSFZAKVCXKF-JXUBOQSCSA-N	240.112	-0.694	50	10	BBGE	
O=C(N[C@@H]1COC2(CCC2)C1)[C@H]1C[C@@H]1B(O)O	2247898161	AWHIIDIZPJNGGI-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247899855	QSXHSEIERMRUSU-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
CC(C)(O)C1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247902426	FDMNPISOMRRGFD-OTSSQURYSA-N	241.096	-0.531	50	10	BBGE	
COC[C@]1(C)C[C@H]1CN(C)C(=O)C#CB(O)O	2248643305	ZGNLNAZBWJDVQD-ONGXEEELSA-N	239.080	-0.867	50	10	BBGE	
C=CC1CC(NC(=O)c2cocc2B(O)O)C1	2249422998	HLEVKBCEQHKQAS-UHFFFAOYSA-N	235.048	-0.346	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccc(F)nc1	2250004118	GTDJFXNYJSPCBB-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
CON(CC1CCC1)c1ccncc1B(O)O	2251001944	LWMGPDLTOLPYLQ-UHFFFAOYSA-N	236.080	-0.071	50	10	BBGE	
C[C@@]1(CO)C=CCCN1c1ccc(B(O)O)cn1	2253426600	DSXXHTLRRFMBDX-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
C#C[C@H](NC(=O)c1occc1B(O)O)C(C)(C)C	2255482171	QTFXHBAWCJELDX-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cccc(F)c1B(O)O	2255503092	JSDITIUPYAYPSJ-IIDWOEFGSA-N	249.050	-0.356	50	10	BBGE	
Cc1cc(C(=O)Nc2ncc[nH]2)ccc1B(O)O	2255509654	NJLHOCUARXZIPM-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC[C@H]2CC[C@@H]21	2255551552	ZFOMAEYVYHDJBU-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1ccoc1B(O)O	2255677958	DJBGCUOCULWUTG-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CC[C@H]2C1	2255727031	ZVHMQQUQFUHFHJ-BDAKNGLRSA-N	249.075	-0.169	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)cc1OC	2255729359	UJTNVSYVYIKBSE-UHFFFAOYSA-N	247.059	-0.872	50	10	BBGE	
O=C(NCc1cnn2c1CCC2)[C@H]1C[C@H]1B(O)O	2255774585	RDMPZXGHMBVZAY-DTWKUNHWSA-N	249.079	-0.692	50	10	BBGE	
C#CC[C@@H](NC(=O)c1cocc1B(O)O)C1CC1	2258122538	DBPSPYRCSRATQZ-LLVKDONJSA-N	247.059	-0.509	50	10	BBGE	
CC1(C)C[C@@H](N)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368875	ASWNWWPTLJDJOY-HLTSFMKQSA-N	240.112	-0.565	50	10	BBGE	
N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2298369963	KDKNOIGZLVRQID-VVULQXIFSA-N	238.096	-0.813	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]1C1CC1)[C@H]1C[C@@H]1B(O)O	2298375215	ADRIWVBKZMGSAV-QEYWKRMJSA-N	238.096	-0.894	50	10	BBGE	
CC(C)[C@@H](N)CCN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298376246	OKYICBVIBLFQJT-UTLUCORTSA-N	242.128	-0.319	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@@H]2CO1)[C@@H]1C[C@H]1B(O)O	2298377333	NLTYMXWYXJUOFE-HOTMZDKISA-N	239.080	-0.610	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@]1(CO)C2	2299809162	CCGHVJSTYSGXCV-OTSSQURYSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN(CCO)C1CC1	2300395544	CZLPBAAEPQAJEZ-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
CNC(=O)C1CN([C@@H](C)CCCC(=O)NN)C1	2302023343	OFKLZCVUOIIPAF-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccccc1B(O)O	2302908444	UGZRCPFVSJHNHD-JTQLQIEISA-N	231.060	-0.441	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CC[C@](C)(B(O)O)C1	2303123635	JOUPFVVWCSUDDL-KOLCDFICSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](C(=O)NCC#CB(O)O)(C2)O1	2303187926	JKLVSSBSOBHIHA-KKZNHRDASA-N	237.064	-0.924	50	10	BBGE	
Cc1ccc(NC(=O)[C@H](C)O)c(F)c1B(O)O	2307568334	AUCNBHMJCWULLG-LURJTMIESA-N	241.027	-0.867	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCCN1	2317207361	SNAFRRDRLSPZRF-LLVKDONJSA-N	246.075	-0.631	50	10	BBGE	
N[C@H]1CCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317350613	WALPXPMDRUVPTJ-NWDGAFQWSA-N	248.091	-0.529	50	10	BBGE	
CN(CCC(=O)NN)Cc1cn2cccnc2n1	2326751361	OMBBDNKAOWUWQD-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
CC(C)[C@H]1C(N)=C(C#N)S(=O)(=O)N1C	34563516	NQHDXXLUKFQDIY-QMMMGPOBSA-N	215.278	-0.020	50	10	BBGE	
CN(C)C1CCN(CC(=O)NN)CC1	82467662	HXFMZGWUQFWRML-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)c1nc(CN2CCCC2=O)cs1	82468364	KVWWJRLLWILMDT-UHFFFAOYSA-N	240.288	-0.131	50	10	BBGE	
CC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	82598443	XIRGXFHXEAOPJK-WPXGONGXSA-N	227.308	-0.257	50	10	BBGE	
CNC[C@@H]1CCCN(CC(C)(C)C(=O)NN)C1	93728097	BBZVGPNVBCAYJJ-JTQLQIEISA-N	242.367	-0.066	50	10	BBGE	
CCCN[C@H]1COC[C@H]1C(=O)NN(C)C	147247854	YTTWEUHERWDXKN-BDAKNGLRSA-N	215.297	-0.406	50	10	BBGE	
Cn1ccn(Cc2ccc(C(=O)NN)o2)c1=O	149370487	CFEOUCCVADOIPV-UHFFFAOYSA-N	236.231	-0.568	50	10	BBGE	
COC[C@@H](C)Oc1ccc(F)cc1B(O)O	203562726	RGWHZEHTDOCDFM-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CCO[C@@H](C)C(/C=N/NC(N)=O)=N\NC(N)=O	206383331	JMUDXWIRQXKVIJ-LCIOLBHPSA-N	244.255	-0.910	50	10	BBGE	
CC(C)CNC(=O)CN(C)[C@H](C)CC(=O)NN	228299772	CZYYJNGUNMCBRI-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
CC(=O)N[C@@H](CS)C(=O)NN(C)C	234230401	SPDLXHSOJRCCJN-LURJTMIESA-N	205.283	-0.986	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(O)C1)C(=O)NN	235134066	ZGWLMVVQHCEFJI-IONNQARKSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1cc(C(N)=O)c([N+](=O)[O-])s1	238558593	WUSCNGAHLMGQLD-UHFFFAOYSA-N	230.205	-0.641	50	10	BBGE	
NC(=O)N/N=C/c1cc(O)[nH]c(=S)n1	238566417	LHZXWEDAEVVGRP-KRXBUXKQSA-N	213.222	-0.153	50	10	BBGE	
NC1=NC(=O)N[C@H](O)[C@@H]1Br	238613805	FGHMPDBCSLWBFT-NPKIIWCNSA-N	208.015	-0.851	50	10	BBGE	
CCN1CCN(C[C@H](C)C(=O)NN)C[C@@H]1C	250234861	GPUPNYDSYNKANO-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
Cc1n[nH]c(C(=O)NNC(=O)CN(C)C)c1C	266987265	RHZXXETZIHMZAM-UHFFFAOYSA-N	239.279	-0.651	50	10	BBGE	
CCC[C@H](SCC(=O)NC)C(=O)NN	300785033	GIHJKLMOXGWLNF-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@](C)(COC)C1	381406868	WTKMFAUYHFWUEJ-KOLCDFICSA-N	245.323	-0.650	50	10	BBGE	
CCSC1CCN(C(=O)C(=O)NN)CC1	383338006	XDOJIDPSGKRTJA-UHFFFAOYSA-N	231.321	-0.280	50	10	BBGE	
C[C@@H](CNS(=O)(=O)CCl)c1nn[nH]n1	392689666	VAMGPIMBNJEOLS-BYPYZUCNSA-N	239.688	-0.581	50	10	BBGE	
COC(=O)CCc1ccc(F)cc1B(O)O	396040953	NQLXNHCIKGDTOZ-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(CO)cc1B(O)O	396043916	WOPWOQSPOOVNCT-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
Cn1ncc(C(=O)N2CCOC[C@@H](Cl)C2)n1	399935638	BQBVLCBJZHNBBF-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1cc[nH]n1	404958744	IXZBXHXFEQGJKR-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
Cc1ncoc1C(=O)Nc1ccccc1B(O)O	405010012	SLADBQRVQIVGFR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cn[nH]c1	405036487	SKINRXTZRUWLNO-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(/C=C\c1cnccn1)NNC(=O)NC1CC1	491262396	NUEVMINMJMTEQP-ARJAWSKDSA-N	247.258	-0.017	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(NC2COC2)C1	685947739	OPEHVFNCQGSBBP-ZCFIWIBFSA-N	218.684	-0.187	50	10	BBGE	
COCCN(C)CC(F)(F)C(=O)NN	685957927	LOQIWYYGNUXUCK-UHFFFAOYSA-N	211.212	-0.810	50	10	BBGE	
CCN(CC1CN(C)C1)[C@@H](C)[C@H](C)C(=O)NN	692729224	XIHOLCWDXPHUAC-UWVGGRQHSA-N	242.367	-0.116	50	10	BBGE	
CC(=O)N[C@@H](Cc1ccc(O)cc1)B(O)O	694946672	NXHJWRWULRARBP-JTQLQIEISA-N	223.037	-0.549	50	10	BBGE	
Cc1cc(C)n2nc(C(=O)NNC(N)=O)nc2n1	700876071	DTJTXYWGOUCSCE-UHFFFAOYSA-N	249.234	-0.946	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)c1ccns1	705444853	XQKBHLAILWZVAD-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1CC(SC)C1	707235682	YBXNAVNJPVNPCI-AMDVSUOASA-N	247.364	-0.183	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1CCC(=O)NN	707560168	YMJXYXUROKBJPX-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](O)C1CN(S(=O)(=O)CCl)C1	719932190	JUJIAKUJINKRGR-RXMQYKEDSA-N	213.686	-0.175	50	10	BBGE	
Cn1ncc(Br)c1CB(O)O	725670552	IFFSWIKYDQKJIV-UHFFFAOYSA-N	218.847	-0.263	50	10	BBGE	
CN(NC(=O)[C@H]1[C@H]2OCCC[C@@H]21)C(N)=O	781003483	QKFDIVBYPRKJBD-QYNIQEEDSA-N	213.237	-0.547	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)c1ncccn1	854951768	CDGIJPONIYVXQJ-SSDOTTSWSA-N	233.231	-0.213	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	908516351	AVVWPXIQEDDLLJ-GBJHPGTDSA-N	242.275	-0.360	50	10	BBGE	
CCn1cccc1C(=O)NNC(=O)c1cnn[nH]1	1543026499	DRZKDJKWEJZZPU-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
O=C(CCn1cnnn1)NNc1ccccn1	1632129606	RZYHHCOXJDGTRM-UHFFFAOYSA-N	233.235	-0.399	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNc2ccncn2)CCN1	1637047072	MNQPGMUWEGTBLB-MRVPVSSYSA-N	249.274	-0.164	50	10	BBGE	
Cn1nncc1NNC(=O)C[C@@H]1CCOC1	1638741023	ZWUSNAYYTARIQX-ZETCQYMHSA-N	225.252	-0.315	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(CO)CC(O)C1	1883300394	XLYJYYIPDFFKAZ-BHZOKHGKSA-N	207.657	-0.384	50	10	BBGE	
O=C1NOC[C@@H]1NC(=O)[C@H]1C[C@H]1Cl	1883635238	UQELBWSJHNYITJ-LMVFSUKVSA-N	204.613	-0.840	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@H]1CC[C@H]1N	1887485843	MFTIGUGJBJTCCR-UHNVWZDZSA-N	225.264	-0.166	50	10	BBGE	
C#Cc1c(C)c(CN)c(C)c(B(O)O)c1C	1887515802	YMPFKQFHWXCXBF-UHFFFAOYSA-N	217.077	-0.268	50	10	BBGE	
CN(C)C(=O)N1CC[C@](C)(B(O)O)C1	1891606805	JHBPUWJQIIFAGR-QMMMGPOBSA-N	200.047	-0.393	50	10	BBGE	
O=CNCc1sc(Cl)cc1B(O)O	1892532246	JPFMWMPNVMRHGD-UHFFFAOYSA-N	219.458	-0.673	50	10	BBGE	
Cn1nnnc1CCNC[C@@H]1C[C@@H]1Cl	1893119770	QOFUAXCLHXQRNI-BQBZGAKWSA-N	215.688	-0.031	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCNC[C@@H](O)C1	1893453441	NCBCRKXHMPUJHO-BWZBUEFSSA-N	218.684	-0.594	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](CO)[C@@H]2C1	1895243625	SCGOEQQHJPVELU-SGIHWFKDSA-N	227.308	-0.685	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N([C@@H](C)CC(=O)NN)C1	1896543986	XLTRESPGMRFNFG-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N1CC[C@H]1C	1899935480	CXJSGWAFHXTIPI-ZCFIWIBFSA-N	239.105	-0.029	50	10	BBGE	
C[C@H](N)C=CC(=O)NN(C)S(=O)(=O)C1CC1	1901359525	YNMMEVOSYOTKDO-ZETCQYMHSA-N	247.320	-0.655	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@]12CC[C@@H]2N)S(C)(=O)=O	1901375573	NSSOUWDAHZNPNV-ACLDMZEESA-N	247.320	-0.964	50	10	BBGE	
O=C(c1cccnn1)N1CC[C@H](B(O)O)C1	1902510456	CDLGRJKHXSMKQO-ZETCQYMHSA-N	221.025	-0.835	50	10	BBGE	
CC[C@H](OC)C(=O)N1CC[C@@](C)(B(O)O)C1	1902521268	GBQMWKRDPSKCED-WCBMZHEXSA-N	229.085	-0.123	50	10	BBGE	
C[C@H](C(N)=O)N(C)C[C@@H]1CC[C@H](C(=O)NN)C1	1908363433	CMMJHLICTGBLJR-HLTSFMKQSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H](CN1CCS[C@@H](C)C1=O)C(=O)NN	1912261555	HYCQBJRWVKNIGX-BQBZGAKWSA-N	231.321	-0.424	50	10	BBGE	
CNC(=O)[C@H](C)N(C)CC(C)(C)C(=O)NN	1916840015	WMZJKRTWCYVSFE-ZETCQYMHSA-N	230.312	-0.931	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)C(F)(F)F	1923435102	HGEMCMBWKKRBTQ-BYPYZUCNSA-N	228.170	-0.285	50	10	BBGE	
CC(C)(C)OC(=O)NCCC(=O)NNC=O	1923446863	CKYRLUPPRNJHHD-UHFFFAOYSA-N	231.252	-0.322	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@H]2C1	1927914848	YYERXVQGSYIHDT-AXTSPUMRSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1C1CC1	1928181331	MHDFGVOMEDBXKF-SECBINFHSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1C1CCCC1	1928226596	MNILTOFGJGZTAA-QMMMGPOBSA-N	211.265	-0.233	50	10	BBGE	
O=C(CCl)N1C[C@@]2(CO)C[C@]2(CO)C1	1928556222	FHZLHNLDIQLAMI-RKDXNWHRSA-N	219.668	-0.572	50	10	BBGE	
COc1csc(C(=O)NNCCO)c1	1929835188	OFGHIYUWCNLHOF-UHFFFAOYSA-N	216.262	-0.017	50	10	BBGE	
O=C(COC1CCCC1)NNCCO	1929838289	LPOYBMHPABXWMV-UHFFFAOYSA-N	202.254	-0.441	50	10	BBGE	
Cn1[nH]nnc1=NC[C@@H]1COC[C@H]1Cl	1933393179	VAPQQNIZPUHZTP-PHDIDXHHSA-N	217.660	-0.702	50	10	BBGE	
CN(C[C@H]1CCOC1)C[C@@H]1C[C@H]1C(=O)NN	1936088629	PGNQWQPFNYCQJH-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@@H]1C[C@H]1C(=O)NN	1936094691	PGNQWQPFNYCQJH-LPEHRKFASA-N	227.308	-0.419	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@]1(C)C1CC1	1936114308	WUWPBASMFHSCTD-KWQFWETISA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CCCC(=O)N1CCOCC(=O)NN	1936805262	NRXUVHHODJDIDQ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1O	1938247962	ZAYZAAAANYWRNY-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(COC[C@@H]2COCCO2)CC1	1939100620	KEEUHAULNOZWTG-QMMMGPOBSA-N	230.264	-0.812	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1940525670	SYHNLPBHIVRCKF-ZNSHCXBVSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@H]2CCC[C@@H]21	1941084096	WCFOVCGAWYBITG-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
CCN1CC(CN(C)C[C@H]2C[C@H]2C(=O)NN)C1	1941085726	FKUGBFVEFBDTDU-GHMZBOCLSA-N	240.351	-0.504	50	10	BBGE	
COCCCOCCOC[C@@H]1C[C@H]1C(=O)NN	1941086365	QVYXBMFWZLJPAZ-VHSXEESVSA-N	246.307	-0.318	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@]1(C)CO	1941092115	GJDRVMQLBMRKTM-KLBPJQLPSA-N	241.335	-0.437	50	10	BBGE	
COCC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941095287	VOYHQNZABKIRJH-WDEREUQCSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCCO1	1941348797	KVFZBQYADMDXSO-RKDXNWHRSA-N	241.291	-0.464	50	10	BBGE	
CN1CC(N(C)Cc2cccc(B(O)O)c2)C1	1941732559	XFKHRKVVXYXXBO-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@H](O)[C@H]2C1	1945658219	JSJMBBPDKSCIEI-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946406766	KNQVBHAWCBPZHE-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
Cc1nc([C@H]2CCCN2C(=O)C(=O)NN)no1	1946529050	SCYBUBQQUDVAOA-ZCFIWIBFSA-N	239.235	-0.969	50	10	BBGE	
OB(O)c1ccc(Cc2nnco2)cc1	1951344209	HALMVCMQOXOYME-UHFFFAOYSA-N	203.994	-0.660	50	10	BBGE	
CO[C@@]1(C(=O)NNC(N)=S)CCCOC1	1957528128	VTCYDTFBZANVMV-QMMMGPOBSA-N	233.293	-0.954	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC([C@H](F)CO)C1	1957731874	YCCZVTMBRWJDPR-POYBYMJQSA-N	219.260	-0.983	50	10	BBGE	
CC[C@H](O)CN(CC)CCCC(=O)NN	1959510993	KNAXQAOXODIUEY-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CCO[C@H]1C[C@H](OC)CN(C(=O)NN)C1	1960258929	MUPRFFZQSPWBRK-YUMQZZPRSA-N	217.269	-0.305	50	10	BBGE	
C[C@@H](COC(F)(F)F)NC(=O)C(=O)NN	1961920372	YLKBPAIVZAQXHF-VKHMYHEASA-N	229.158	-0.983	50	10	BBGE	
C=C1C[C@H]1Cn1cccc(B(O)O)c1=O	1975101412	RKXOSRYTSMMONV-QMMMGPOBSA-N	205.022	-0.896	50	10	BBGE	
C[C@]12CCCN(CCC(=O)NN)[C@H]1COC2	1976540492	SXJUHLFSYUSKRP-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
Cc1ccnc(N2C[C@@H](C)[C@@H]2C)c1B(O)O	1981415462	FBVMJIWITYQZMY-BDAKNGLRSA-N	220.081	-0.086	50	10	BBGE	
CCN(CC(F)F)c1ncc(B(O)O)cn1	1981417358	ZRTVNTXDRDFIGB-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
C[C@@H]1COC[C@H]1Oc1ccncc1B(O)O	1981431492	ZMOHMMHTSFQTKL-GMSGAONNSA-N	223.037	-0.825	50	10	BBGE	
C[C@@H]1OCC[C@@H]1Sc1ncncc1B(O)O	1981454203	FRCBVOLXUDRINB-XPUUQOCRSA-N	240.093	-0.574	50	10	BBGE	
COCCN(C)c1ncc(B(O)O)cc1C	1981468738	HRKRTLMDHWPPEH-UHFFFAOYSA-N	224.069	-0.848	50	10	BBGE	
CN([C@H]1C[C@H](O)C1)[C@H](C(=O)NN)C(C)(C)C	1984462902	UNRJIRITKNDORK-IWSPIJDZSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(c2cnn(C)c2)C1	1990726235	XARPUSOZRAQAAH-SSDOTTSWSA-N	223.280	-0.802	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@H]1C[C@@H]1CF	1991326855	LEUAOIOVBDNJLK-BKPPORCPSA-N	227.044	-0.191	50	10	BBGE	
CCCOC1(C(=O)NCC#CB(O)O)CC1	1992136350	XKJCKKQZXJNILH-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
C=C(CN1CCN(C[C@H](C)F)CC1)B(O)O	1992167734	PHTFLAMENUKPRU-JTQLQIEISA-N	230.092	-0.470	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1997512773	NGPNTWMVIWGNOG-QWRGUYRKSA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)CC12CC2	1997672135	VMQLVEKXTUCWAZ-VHSXEESVSA-N	240.351	-0.077	50	10	BBGE	
CC[C@@H](O)CN(C1CC1)[C@@H](COC)C(=O)NN	2000010446	GBLHENAWXJTQBG-ZJUUUORDSA-N	245.323	-0.773	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)CC[C@@H]1CO	2001925562	HNTQDQBBMZIKKN-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
CCN(c1nc(C)ncc1B(O)O)C1CCC1	2005013915	COXQDHVVFUOWDL-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@H]2C[C@H]2C)n1	2005102925	ANDRHBPJXSLEOA-MUWHJKNJSA-N	235.096	-0.382	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CCCCO1	2008840611	OSMSYUVVMMUHKA-SNVBAGLBSA-N	237.064	-0.903	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CC[C@@]2(CCCOC2)C1	2012897366	AYFLDKCRYSXLEU-KWQFWETISA-N	241.291	-0.558	50	10	BBGE	
COCCCCOc1ccc(B(O)O)c(C)n1	2014225859	SOAJMBJTSOGISM-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@@H](F)C1	2014916374	BEQHFDDECMJSSL-SSDOTTSWSA-N	242.034	-0.161	50	10	BBGE	
CCOCCN(C)c1ncc(F)cc1B(O)O	2014925529	BDVMLIZDWORZDB-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
CCCC1(C(=O)Nc2ncc(B(O)O)cn2)CC1	2040767511	SMAALHXXKWFOGO-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
C[C@H](c1ccco1)N(C)c1ncncc1B(O)O	2052470777	IIDUIMFGDREQDA-MRVPVSSYSA-N	247.063	-0.053	50	10	BBGE	
Cc1c(C#N)cc(B(O)O)cc1[N+](=O)[O-]	2060304968	ZOSXGDNTSRJQBD-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1CCC2(CC2)C1	2078406439	SAYABNYAFONIIV-VIFPVBQESA-N	247.107	-0.075	50	10	BBGE	
C[C@@]1(NC(=O)c2ccccc2B(O)O)CCOC1	2079010304	OMNRBSIZXUHKQI-GFCCVEGCSA-N	249.075	-0.725	50	10	BBGE	
CN1CC[C@@H](COCC(C)(C)C(=O)NN)C1	2211765730	VIYZSZDRTKUZCN-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)CN1CC[C@@H](OC(F)(F)CF)C1	2212390384	BVXQAAZUCXJGKF-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
COC[C@H](C)Oc1nccc(B(O)O)c1F	2212608596	URNOZZZTYFKDPW-LURJTMIESA-N	229.016	-0.686	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1CCOCC(=O)NN	2214802589	RFSUPRCAEBLXRG-UTLUCORTSA-N	245.323	-0.916	50	10	BBGE	
NCC[C@H](Oc1ncccc1B(O)O)C(F)F	2217174842	ZMROWAJXYKQIAQ-ZETCQYMHSA-N	246.022	-0.877	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1	2217175895	OWTHLBBKLBSANJ-DQDDRIPDSA-N	230.076	-0.394	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)c1cnn[nH]1	2217178096	RKBVHOCMHDQFCC-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
C[C@]1(CO)C[C@H](Nc2ccc(B(O)O)cn2)C1	2217186075	FVCHCWXLTZVDBB-HOMQSWHASA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccnc(OCC2CCNCC2)c1	2217193251	LNUGRKFREDWCSN-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
Cc1cnc(Nc2cccnc2N)cc1B(O)O	2223639975	IIAPJGXBIMPXJN-UHFFFAOYSA-N	244.063	-0.209	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H]1CCCNC1	2223669414	JMTLTKWNEAQKRN-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
C[C@@H]1CN(C)CCCN1c1cc(B(O)O)ccn1	2223675780	UBZKDOGZGYKKSB-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
NC[C@H]1CCCC[C@H]1Nc1cc(B(O)O)ccn1	2223675861	UFANJQDZINGBPL-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
CC1(CN)CCN(c2ccc(B(O)O)cn2)CC1	2223679600	RKVZKEYIRPCSQC-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)C(F)F	2241558219	FVVLZDMJYDBTKK-YFKPBYRVSA-N	204.969	-0.532	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@H]1[C@@H](O)CO	2241811344	OHHZCXDLTHZMFS-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
O=C(CCCl)N1CC[C@H]1[C@@H](O)CO	2241826998	YXPJTUOEPPVDOM-BQBZGAKWSA-N	207.657	-0.431	50	10	BBGE	
CC1(C)CC2(CN(C(=O)C#CB(O)O)C2)C1	2243350291	YXGRLFVHYPTWNT-UHFFFAOYSA-N	221.065	-0.350	50	10	BBGE	
CC(C)CCNC(=O)c1cc(B(O)O)c[nH]1	2243356609	KMORSYHWHHTPDN-UHFFFAOYSA-N	224.069	-0.530	50	10	BBGE	
C[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2243364651	AFZDLSSZBBIEGO-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243365204	JFQOHYGJYILMHA-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
O=C(N[C@@H]1C(F)(F)C12CC2)C1(B(O)O)CC1	2243365507	NNOJTGIEUMJYGW-YFKPBYRVSA-N	231.007	-0.093	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)C(C)(C)N	2243366238	ZEWGUPPGPKLZHN-ZETCQYMHSA-N	228.101	-0.375	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1csnc1B(O)O	2243377527	AWZWLRRFPMYHKF-KCQQBQQISA-N	240.093	-0.793	50	10	BBGE	
CC[C@H]1CC(=O)N(C(=O)C2(B(O)O)CC2)C1	2243397795	JFCSHHLSZAJODS-ZETCQYMHSA-N	225.053	-0.222	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC[C@@H]1C1CC1	2243399586	NXHXIGGCJBECLD-NXEZZACHSA-N	221.065	-0.303	50	10	BBGE	
O=C(C#CB(O)O)N1CCCCC12CCC2	2243401784	WOKBDLPECBEXMD-UHFFFAOYSA-N	221.065	-0.063	50	10	BBGE	
CCN(C)C(=O)c1cccc(F)c1B(O)O	2243407858	BAIWIFVRAYURDS-UHFFFAOYSA-N	225.028	-0.403	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CCCCC1	2243412860	VEXKWWWOJGZOIS-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
C=CC(=O)N(C)Cc1cc(C)c(B(O)O)s1	2243684574	CGGQEPIPHKIVQR-UHFFFAOYSA-N	239.105	-0.119	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243753036	PRPHNYGEMLEJCU-VQVTYTSYSA-N	229.041	-0.924	50	10	BBGE	
CCCN(CC(=O)O)C(=O)C1(B(O)O)CC1	2243758126	ANWRAGCEZMRQPD-UHFFFAOYSA-N	229.041	-0.683	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)C[C@H]2CCCC[C@@H]21	2246630353	NKLGHYKJKSRQPC-MXWKQRLJSA-N	241.335	-0.008	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1ccoc1B(O)O	2247740148	GRIYLCWNWOTUAN-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
O=C(C#CB(O)O)NC[C@]12CCC[C@H]1OCC2	2247742264	MOWWGDUOHFMSPE-MWLCHTKSSA-N	237.064	-0.923	50	10	BBGE	
O=C(N[C@@H]1CNC2(CCC2)C1)C1(B(O)O)CC1	2247750313	HGRBGVFDGOPOEB-QMMMGPOBSA-N	238.096	-0.606	50	10	BBGE	
CC(C)ONC(=O)c1cc(F)ccc1B(O)O	2247759685	VJNSCGGZFZYHAO-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)ccc1C	2247760400	HMSSYLFPXALGSR-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
O=C(NC[C@]1(F)CCCNC1)C1(B(O)O)CC1	2247764788	WYLFVXDRVSXOCW-VIFPVBQESA-N	244.075	-0.799	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ncccc1B(O)O	2247772509	VVFNRKBUWRZCQX-CBAPKCEASA-N	234.064	-0.758	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](CN)C1CC1	2247793361	XILWAGFICNNZLS-AEJSXWLSSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H](O)[C@@H](CC)NC(=O)C1CC(B(O)O)C1	2247793755	ZSANOUNXQXXXMA-BMNUFHGDSA-N	243.112	-0.095	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2NCC[C@@H]2C1	2247808831	MTCXIMDYIDFDFL-IMSYWVGJSA-N	238.096	-0.940	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C(=O)C1CC(B(O)O)C1	2247809217	YHXHRXWQADZILS-SEZDTBSWSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@@H](F)C1CCCC1)C(=O)C#CB(O)O	2247849784	FFAPGBOZSXQUMP-SNVBAGLBSA-N	241.071	-0.012	50	10	BBGE	
COC(=O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2247860503	XNRZOEZCRMCDQW-HTQZYQBOSA-N	243.068	-0.741	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cc(B(O)O)cn1C	2247868511	GSKBSTATSLJOIU-MRVPVSSYSA-N	238.096	-0.519	50	10	BBGE	
NCC[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247879812	WBYHVHUQBWXXKY-VIFPVBQESA-N	240.112	-0.419	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897625	VJNNEIPDVMZKHU-OCAPTIKFSA-N	237.068	-0.379	50	10	BBGE	
CN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247897954	YUEGXMRIQHUUQO-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C[C@H]1N	2247910802	RJIWXNFQAOCEEV-SEZDTBSWSA-N	240.112	-0.565	50	10	BBGE	
C#CCC(=O)N1Cc2cccc(B(O)O)c2C1	2248419665	FISUJNSWIUKWBL-UHFFFAOYSA-N	229.044	-0.768	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2248573950	LWMUSBYJGPLIJO-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
CC(C)CN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248585509	MTFFUUFLLASZFD-SFYZADRCSA-N	243.068	-0.582	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@H]2C[C@H]1CO2	2254488470	PMCMRRUVTLOKQT-ATZCPNFKSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccncc2B(O)O)C[C@H]1C	2255452032	CKHFASLKUOPQEX-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1C(=O)C[C@H]1C	2255510035	RQFKIDPTAKXKMP-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cncc(B(O)O)c1	2255516118	HYAROCWKJUUNKC-URLYPYJESA-N	246.075	-0.710	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1ncccc1B(O)O	2255519647	ZZOHJVBIZQJCHX-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cccc(C)c1B(O)O	2255730833	VBCPRVKOKMWBST-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@@H]2CCCC[C@@H]21	2258151948	XCBLQYMJMYIVTF-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)C1(B(O)O)CC1	2298375012	KPLQVOADBJUMSS-NQMVMOMDSA-N	239.080	-0.635	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2298377460	RTVNCXGCNUMPGM-HMELBQQSSA-N	238.096	-0.909	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)[C@H]1C(=O)O	2298463663	RPOXKIKTYSVKAU-VZFHVOOUSA-N	241.052	-0.925	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC(CCO)C1	2300370842	LRHVVVXSLFJGIZ-QWRGUYRKSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCC[C@H]3CCO[C@H]32)c1	2307263438	YFQWTPDLMPBZBK-JMJZKYOTSA-N	236.080	-0.307	50	10	BBGE	
O=C(CN1C[C@@H]2C[C@H]1CO2)NNc1ccccn1	2311213349	XWILBGBTXJLHGI-UWVGGRQHSA-N	248.286	-0.002	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2ccc3nncn3c2)C1	2319655314	FNVJTIOENXSBFB-SNVBAGLBSA-N	246.079	-0.222	50	10	BBGE	
N#CC(=CNC1CC1)C(=O)N1CCNCC1	2324220016	ATMWYEPTYKXDGG-UHFFFAOYSA-N	220.276	-0.422	50	10	BBGE	
N[C@H](CI)C(=O)O	3647565	DIZAJUVUZKMLQL-UWTATZPHSA-N	214.990	-0.167	50	10	BBGE	
O=C(Cl)CCC(=O)NCCOCCO	33433660	BPDUMFXJUKPJNT-UHFFFAOYSA-N	223.656	-0.343	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)c1ccncc1	49828081	JASGLUQXACSURO-VIFPVBQESA-N	236.275	-0.174	50	10	BBGE	
CNC(=O)COc1ccc(C(=O)NN)cc1	66056675	VUHGQCONRVTIPT-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H]1COCCO1	66572929	YVXCBSAPAYYEBS-SECBINFHSA-N	244.291	-0.015	50	10	BBGE	
Cc1cc(SCC(=O)NN)n(C)n1	82472765	IWWLURWXXPPMJF-UHFFFAOYSA-N	200.267	-0.189	50	10	BBGE	
CNC(=O)[C@@H](C)NS(=O)(=O)CCl	82513086	ZSQRNXKJCVUBCQ-SCSAIBSYSA-N	214.674	-0.763	50	10	BBGE	
NNC(=O)CCCCCN1CCNC(=O)CC1	83682512	COLNPJOLYXIUSN-UHFFFAOYSA-N	242.323	-0.641	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)n1cnc([N+](=O)[O-])c1	86313777	SNKPPKZHCLSJOK-RITPCOANSA-N	227.224	-0.022	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCCC2=O)O1	104112092	PKCSUPXXRHUTTD-IUCAKERBSA-N	241.291	-0.464	50	10	BBGE	
NNC(=O)c1cccc(/C=C/C(=O)NO)c1	115626223	OJVOPPSLXWPGMX-SNAWJCMRSA-N	221.216	-0.191	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CCC[C@H]2C1=O	125123257	SPIAPQYUMPAWGJ-KNVOCYPGSA-N	225.248	-0.849	50	10	BBGE	
C[C@@H](CO)N(C)Cc1ccoc1C(=O)NN	125436460	AQEAYXMWUZEZRV-ZETCQYMHSA-N	227.264	-0.304	50	10	BBGE	
COCCOCCO[C@H](C)CCC(=O)NN	125983492	SGGAMOZUGITBEQ-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
C[C@@H](NC(=O)CBr)C(=O)O	140365175	DVRGRODLEBWDNH-GSVOUGTGSA-N	210.027	-0.029	50	10	BBGE	
O=S(=O)(CCl)NCCCn1ccnn1	163929753	AFYYKUSFGIPVFV-UHFFFAOYSA-N	238.700	-0.216	50	10	BBGE	
O=C(NCCCO)C(=O)NCCCCl	170359165	UAQANHQIRJFGRE-UHFFFAOYSA-N	222.672	-0.770	50	10	BBGE	
CNC(=O)CC(=O)NNc1ccc(OC)cn1	187474211	XSIRNOLVOURBCN-UHFFFAOYSA-N	238.247	-0.331	50	10	BBGE	
NC1(c2nnc(-c3ccc(B(O)O)cc3)o2)CC1	211463487	OGCFKTCXNNABEX-UHFFFAOYSA-N	245.047	-0.636	50	10	BBGE	
COC[C@@H](CO)NC(=O)[C@@H](C)CCl	229036858	AMECHYCPOCXGBF-NKWVEPMBSA-N	209.673	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCO)CC(F)F	231592505	MTXPQVNSEOMQOC-NKWVEPMBSA-N	239.266	-0.440	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@H]1CCO	232419006	ONAJRWFDVAPTFE-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
CCCN(CC)[C@H](COC)C(=O)NN	232419076	DBTFRMNOCAKKBI-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
NC1(Cc2ccc3c(c2B(O)O)OCO3)CC1	258061149	ANLYWQSUFOVZRI-UHFFFAOYSA-N	235.048	-0.871	50	10	BBGE	
CC(=O)c1cnn(Cc2cc(C(=O)NN)no2)c1	302391012	NCENCKYCQZMKIJ-UHFFFAOYSA-N	249.230	-0.275	50	10	BBGE	
Nc1c(B(O)O)cncc1C(F)(F)F	306347775	FVZMEJCQOFTUEH-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
COC(=O)NNC(=O)N1CCSC1	306499215	IJYMBFFDPVTFAO-UHFFFAOYSA-N	205.239	-0.027	50	10	BBGE	
C[C@@]1(O)CC[C@@H](O)CC1=NNC(N)=O	308364111	FWJCJMHZRVAVKZ-SVGQVSJJSA-N	201.226	-0.694	50	10	BBGE	
CC(CC(C)(C)NC=O)=NNC(N)=O	308406282	CQPMJFJOARWPRA-UHFFFAOYSA-N	200.242	-0.055	50	10	BBGE	
CC(C)(C)[C@H](O)[C@H](N)c1ccc(B(O)O)cc1	382635647	BTEYYUVFVACTNJ-GHMZBOCLSA-N	237.108	-0.227	50	10	BBGE	
NNC(=O)c1coc(COC[C@H]2CCCO2)n1	386928624	FKUPHJRWMAJRKY-SSDOTTSWSA-N	241.247	-0.026	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c(/C=C\C(=O)O)c1	396134579	BLUCRPFGCFTYRO-HYXAFXHYSA-N	248.043	-0.404	50	10	BBGE	
Nc1c(B(O)O)cc(C=O)c2sccc12	396260867	VXNICQKOGNMRED-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(OC(F)F)C1	399901681	FNYTVUYCRHJQAG-BYPYZUCNSA-N	209.196	-0.712	50	10	BBGE	
Cc1nn(C)cc1CN1CC[C@H](B(O)O)C1	585074985	DAKLVDJQIDTXIT-JTQLQIEISA-N	223.085	-0.223	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)CCCC(=O)NN	688149531	XISMOLBFAFZKHG-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CC[C@H](N)C2)CC1	692124689	OSSRFDFMKJYLLJ-UWVGGRQHSA-N	237.303	-0.009	50	10	BBGE	
O=C(NC[C@@H]1CN2CCN1CC2)OCCl	692859691	KTSQHQGUVLJIQR-MRVPVSSYSA-N	233.699	-0.091	50	10	BBGE	
CCOC[C@H]1CCCN1CCC(=O)NN	696570216	WOWPIVRTEPCJGK-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CCC1(O)CCN([C@H](COC)C(=O)NN)CC1	707246512	DGOASKYZTJVLTE-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CN1CCC12CCOCC2)C(=O)NN	707412988	CGGNGXYHIWGKTC-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCO[C@@H](C)CC1	720468997	AHTLXDIUHADSLP-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CC[C@H](CN)C(=O)N1CCC(O)(C#N)CC1	821980308	BKOGOQPQBKYXMW-SECBINFHSA-N	225.292	-0.152	50	10	BBGE	
COCCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846387719	BWTMKVYXJQTRDR-HRDYMLBCSA-N	242.275	-0.262	50	10	BBGE	
CN(NC(=O)[C@H]1CCNC1=O)c1ccccn1	862746853	GXFGESBLIZVXQD-QMMMGPOBSA-N	234.259	-0.315	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1COCCC1=O	862934688	SDVFKYJTDTYSQD-XZLDQRQTSA-N	238.243	-0.095	50	10	BBGE	
NC(=O)N/N=C1\CCCCC\C1=N/NC(N)=O	1088660597	UTTPESUGOUDOIG-PWHKKFIBSA-N	240.267	-0.001	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2	1119864937	TXWDGAOVDADNTE-FSDSQADBSA-N	211.221	-0.710	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccon1	1318992804	WKHRNCUOIKYFRR-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
N#CC1=CCN(CC(=O)NC(N)=O)CC1	1320757056	RLCYNUJUFMKAOC-UHFFFAOYSA-N	208.221	-0.663	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(CC#N)C1CC1	1653268551	ZLPIICCYSDTVAN-UHFFFAOYSA-N	238.291	-0.222	50	10	BBGE	
O=C(NCC#CCO)[C@@H]1C[C@H]1Br	1877336835	QDRBILJCIZQUAH-RNFRBKRXSA-N	232.077	-0.118	50	10	BBGE	
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880029412	BLWQVQSQRZKGTC-RNFRBKRXSA-N	247.295	-0.407	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H](CO)[C@@H](C)O	1880627832	HDXRQGSRLSWNDV-PBXRRBTRSA-N	240.097	-0.372	50	10	BBGE	
C[C@H]1CNC(=O)CN1C[C@H](O)CCl	1882314800	DZGZNWCRGCGPBJ-NKWVEPMBSA-N	206.673	-0.594	50	10	BBGE	
NC(=O)C1[C@H]2CN(C(=O)CBr)C[C@H]12	1883971321	QVZNZMZESSZDFR-WHFBIAKZSA-N	247.092	-0.429	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccnc1	1885135674	SRXCKRJVERWSFA-UHFFFAOYSA-N	204.180	-0.102	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@@H]1CF	1888819900	XQMVEYSBSPBESX-SFYZADRCSA-N	203.261	-0.096	50	10	BBGE	
O=C1C[C@H](CNC(=O)[C@H]2C[C@H]2Cl)CN1	1893470137	PTZBWYYAGBVYQA-LYFYHCNISA-N	216.668	-0.134	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C[C@@H](C)C(=O)NN	1895668161	RAEWDRDSSUZHNR-ZYUZMQFOSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCOC1=O	1900501934	PCJQTFSYRVOPEC-YUMQZZPRSA-N	227.264	-0.155	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc([N+](=O)[O-])cnc1=O	1905535165	UPKJXNKQLUUDGZ-RXMQYKEDSA-N	241.207	-0.908	50	10	BBGE	
COc1cn(C[C@H](O)CCl)c(=O)nc1O	1913100095	OYLVBTPHNMWJBF-RXMQYKEDSA-N	234.639	-0.443	50	10	BBGE	
CN(CC1(CO)CC1)CC(F)(F)C(=O)NN	1915532255	DOMCBEVSUXXMGO-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
NNC(=O)COCCN1CCC12CCC2	1928180768	FTCGHTYXGNJCSQ-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
CON(C)Cc1ncccc1C(=O)NN	1928676788	NZOAVRWSKNWLLW-UHFFFAOYSA-N	210.237	-0.322	50	10	BBGE	
CCC1(CC)CN(CC(=O)NN)CCO1	1932354496	GQNHOPLGOQLOBI-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)CCO	1936081211	LIKBFGMUAYAPMO-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1C	1947072784	UUCVOAIYFYIGLO-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
CN1CCN(C[C@@H](Br)CO)CC1	1951563744	KOIOGZUUGGMOLY-MRVPVSSYSA-N	237.141	-0.010	50	10	BBGE	
O=C(CCl)NC[C@H]1C[C@@H](CO)CO1	1954312430	XCFWBEGYXXUETO-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
CS(=O)(=O)N1C[C@H](Cl)[C@H]2COC[C@H]21	1954368868	RGIQIKZYHOUMDN-DSYKOEDSSA-N	225.697	-0.116	50	10	BBGE	
CC1(C(N)=O)CN(C[C@@H](O)CCl)C1	1954821671	CCFUNFDAHGJUAN-LURJTMIESA-N	206.673	-0.607	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1958422651	KELTXGGELAIKJA-NGJRWZKOSA-N	209.249	-0.767	50	10	BBGE	
CSC[C@@H](NC(=O)C(=O)NN)C(C)(C)C	1958672417	LCMJJPIWZZKFLJ-ZCFIWIBFSA-N	233.337	-0.130	50	10	BBGE	
O=C1NC(=O)[C@@]2(CCCN(CCCl)C2)N1	1961311379	SEKDYUIOPLPFIS-VIFPVBQESA-N	231.683	-0.101	50	10	BBGE	
OB(O)c1cncnc1N1CCCCC1	1961692244	RWJJGARJWYEVHV-UHFFFAOYSA-N	207.042	-0.853	50	10	BBGE	
C[C@H]1CCN(c2ncccc2B(O)O)C1	1961694494	OWMISLZRMRZGQR-QMMMGPOBSA-N	206.054	-0.392	50	10	BBGE	
OB(O)c1cnccc1Sc1nncs1	1961722760	IUUGSAVHQPJUBH-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
NNC(=O)N1C[C@@H](O)C2(CCOCC2)C1	1962243016	KREVYWHQYQMQNJ-SSDOTTSWSA-N	215.253	-0.957	50	10	BBGE	
Cc1nnccc1C(=O)N1CCC(B(O)O)CC1	1971373149	RXDVCIBIEUJAKH-UHFFFAOYSA-N	249.079	-0.136	50	10	BBGE	
C[C@@H](CCN1CCOC1=O)NC(=O)NN	1975241538	SESDCAKPSLIETR-LURJTMIESA-N	216.241	-0.610	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ncno1	1976743766	CENARWTWADSRHM-BQBZGAKWSA-N	227.268	-0.484	50	10	BBGE	
NNC(=O)C(=O)Nc1cnn(C(F)(F)F)c1	1980590310	GESAYNMOADNREI-UHFFFAOYSA-N	237.141	-0.712	50	10	BBGE	
CN(C)NC(=O)N[C@H](C(=O)O)[C@H]1CCCO1	1981394487	YPEXGMGARKMWPV-RQJHMYQMSA-N	231.252	-0.606	50	10	BBGE	
Cc1cn(-c2cc(C)c(B(O)O)cn2)cn1	1981465566	OAUICHSTGUNHGG-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@H]2CC[C@@H]21	1990773037	QQHKDXXDWVGOEV-IUCAKERBSA-N	243.332	-0.267	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](C)[C@H](F)C1	1990773805	ADKDFLNAOQUGOA-IONNQARKSA-N	231.271	-0.166	50	10	BBGE	
CC[C@@H](COC)N(C)CC(=O)NNC(C)=O	1990777008	SGZZBGYEXWZVKL-VIFPVBQESA-N	231.296	-0.490	50	10	BBGE	
O=C1N[C@H](C2CNC2)C(=O)N1C[C@H]1C[C@@H]1Cl	1991443694	WRHPJAJNGLIAOB-MHSYXAOVSA-N	243.694	-0.247	50	10	BBGE	
CO[C@H]1C[C@@H](CN)N(C(=O)C=CC(=O)Cl)C1	1991650227	LRYBJOOYFCOLMR-YUMQZZPRSA-N	246.694	-0.117	50	10	BBGE	
COC[C@]1(NC(=O)C=CC(=O)Cl)CCNC1	1991662111	IDEDSHZZJOCPSO-JTQLQIEISA-N	246.694	-0.197	50	10	BBGE	
O=C(O)C1CC(O)(CNC(=O)[C@@H]2C[C@@H]2Cl)C1	1991685603	BDDNXARRAWDHNZ-PTBZLCQFSA-N	247.678	-0.044	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCNC[C@@H]1CO	1991717097	SJNOBFUDTUZOGT-FLPBZWPXSA-N	246.694	-0.605	50	10	BBGE	
NC(=O)[C@H]1C(=O)NCCN1CC1CC(Cl)C1	1991718603	MVJYVWWGBWWTRV-RRQHEKLDSA-N	245.710	-0.711	50	10	BBGE	
C=C(CN1CC[S@](=O)C(C)(C)CC1)B(O)O	1992168309	YNYSLOHGYCSZFC-INIZCTEOSA-N	245.153	-0.212	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2CC[C@H](O)C[C@H]21	2001965947	DTBSFBCNZFHCJT-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCn2ncnc2C1	2003926974	VMWXSDYHXUEGJL-MRVPVSSYSA-N	238.295	-0.748	50	10	BBGE	
CC[C@@H]1[C@@H](C)CCN1c1ncncc1B(O)O	2004916495	MCFQJAZZHHLLLM-WCBMZHEXSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1ncccc1B(O)O	2004950191	BZXJTMOEETYOJI-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
CO[C@H](COc1ccc(B(O)O)cn1)C(C)C	2004952723	SOILMSHLHSRCLF-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccnc1[N+](=O)[O-]	2008868353	VKFZUPOFEXDPOP-UHFFFAOYSA-N	249.177	-0.193	50	10	BBGE	
CCC(=O)N1CCN(CCCC(=O)NN)CC1	2011466230	XQUDRAZDBXMQJR-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2CCO[C@H]2C1	2012772548	LNNXOLOCQDENSC-SFYZADRCSA-N	249.261	-0.278	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2C[C@@H]2F)c(B(O)O)c1	2014735249	MVULGGMYNKPPDE-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cn1)N1CCCCC1	2014989802	ZGIZMTZPSQZNJI-SNVBAGLBSA-N	237.112	-0.563	50	10	BBGE	
CCN(CCO)C[C@H]1CCC[C@H](C(=O)NN)O1	2018243783	VVRUAGZXSBWKLP-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020057126	RSSCMADNTDKNBJ-SFGNSQDASA-N	239.080	-0.372	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC(COC)COC	2022020831	WJNINTOMADRWFR-JTQLQIEISA-N	247.339	-0.404	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H](C)C(=O)NN)C[C@H]1OC	2022124434	QLVQANGZGZCBDH-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@@H]21	2022200556	VLCMEGBCVTXPNY-KCJUWKMLSA-N	231.060	-0.399	50	10	BBGE	
C=C(CN1CC[C@@H](OC)[C@](C)(OC)C1)B(O)O	2023275256	CQAFGKDQUFZPRT-GHMZBOCLSA-N	243.112	-0.320	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@@H](C2CC2)C1	2052492340	ROZRXFZSEMADPS-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
CCN(c1ncc(B(O)O)cc1C)C1CN(C)C1	2052623265	GYAOHQFMUVWUII-UHFFFAOYSA-N	249.123	-0.790	50	10	BBGE	
Cc1cc(OC[C@@H]2[C@H]3COC[C@H]32)ccc1B(O)O	2068630327	ZMHYXVAEHTVPFV-GDNZZTSVSA-N	248.087	-0.054	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1cncc(O)c1	2076080615	CRNFGKJTGNLEGO-JTQLQIEISA-N	248.047	-0.382	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1ncc[nH]1	2077803986	VZGFPDQGRWXDBZ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cc1cc(NC(=O)c2cccc(B(O)O)c2)on1	2079012398	SWPFYGXWUWDXAC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O[C@@H](CCl)CN1C[C@@H](F)C[C@@H](O)C1	2209174366	NSJXBACJFIBJRH-RNJXMRFFSA-N	211.664	-0.009	50	10	BBGE	
O=C(CCl)N1C[C@@H]2COC[C@@]2(CO)C1	2209563530	VAJURZNELRGMIN-APPZFPTMSA-N	219.668	-0.308	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC2(COC2)C1	2211838478	HUFPDDDEQUEVNK-BDAKNGLRSA-N	225.292	-0.665	50	10	BBGE	
CC(C)[C@H]1C[C@H]1Nc1ncc(B(O)O)cn1	2212610802	PEQUBWCXHPQWPU-RKDXNWHRSA-N	221.069	-0.387	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC2CC1(CO)C2	2215773984	VJWJMZQIRZQCIV-WDHPUFTPSA-N	239.319	-0.541	50	10	BBGE	
CC1(C)CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1O	2215775813	JDWOESNLSBCSQA-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CC1(CNc2cc(B(O)O)ccn2)CC(N)C1	2217176541	XPBBXBYIYBSGBL-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OC[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217178109	RPKHPPRGOGYVNA-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
CCC=C1CCN(c2ncc(B(O)O)cn2)C1	2217184518	PKMJMTILQFWQAS-UHFFFAOYSA-N	233.080	-0.297	50	10	BBGE	
CC(C)N(C[C@@H](C)O)c1cc(B(O)O)ccn1	2217194513	AKGDBTNVPIPCHI-SECBINFHSA-N	238.096	-0.643	50	10	BBGE	
C[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)CCO1	2217194795	COPSDWJCTNCEFC-WPRPVWTQSA-N	237.064	-0.292	50	10	BBGE	
CCC[C@H](CO)CNc1cc(B(O)O)ccn1	2217197529	NJJPSPUSQFDODM-VIFPVBQESA-N	238.096	-0.418	50	10	BBGE	
OC[C@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220063838	ALLXOVIQXZXCAJ-WCQYABFASA-N	247.103	-0.819	50	10	BBGE	
C[C@H]1CCCN(c2ccc(B(O)O)cn2)[C@H]1CN	2223631935	CRPHCKASWSAUPG-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
CN1C[C@@H](Nc2ccc(B(O)O)cn2)CC1(C)C	2223632125	GAWFMSPMUKLXBS-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
N#Cc1ccc(Nc2ncccc2B(O)O)cn1	2223667202	NUJYKDNNTYRXQD-UHFFFAOYSA-N	240.031	-0.228	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1Nc1ncccc1B(O)O	2223674718	MXYCQKRYSLDRBJ-KOLCDFICSA-N	249.123	-0.439	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2ncccc2B(O)O)CCN1	2223675426	RAZHJNISYAFSDM-UWVGGRQHSA-N	249.123	-0.662	50	10	BBGE	
CCNCCSCCOCC(=O)NN	2242286050	YKJXYLSAARRWJS-UHFFFAOYSA-N	221.326	-0.664	50	10	BBGE	
O=C(N1CC[C@H]2COC[C@H]21)C1(B(O)O)CC1	2243358374	GCSLBCSTDZUSRF-JGVFFNPUSA-N	225.053	-0.759	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)C2(B(O)O)CC2)C1	2243363541	IMCWIKMTDWPWQQ-OCAPTIKFSA-N	227.069	-0.371	50	10	BBGE	
NC[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2243365148	IMFCNXDWIDQICC-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
C[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383279	WOMRJQRFZXYBNE-HXFLIBJXSA-N	227.069	-0.610	50	10	BBGE	
NCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2243393055	ZTDFNLOEEYYJTH-JGVFFNPUSA-N	226.085	-0.906	50	10	BBGE	
C[C@H](CN(C)C)NC(=O)C1CC(B(O)O)C1	2243395901	DPXAFUSRMGBALQ-AFPNSQJFSA-N	228.101	-0.694	50	10	BBGE	
O=C(NC1(CCO)CC1)C1CC(B(O)O)C1	2243396200	IZEKDBBBCDIOEI-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H](N)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243397055	UXFVBAMZAVVQRS-IWSPIJDZSA-N	228.101	-0.517	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H](O)C1)C1(B(O)O)CC1	2243410289	YUHDHYJJDLNWHG-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1B(O)O	2243425844	BOVJFDLWPFPULS-YWIQKCBGSA-N	223.037	-0.613	50	10	BBGE	
C=C(CS(=O)(=O)NCC1=CCCC1)B(O)O	2243433850	QZGRRGIZXKIQGR-UHFFFAOYSA-N	245.109	-0.416	50	10	BBGE	
C#CCC(=O)Nc1cc(C)cc(B(O)O)c1	2243684958	KDJTWNVSAWCSSN-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(B(O)O)co1	2244204884	BTFGMXWILYNJND-MRVPVSSYSA-N	221.021	-0.899	50	10	BBGE	
CC(=O)NCCc1c(F)cccc1B(O)O	2245298880	OEGZXCYDNBYONV-UHFFFAOYSA-N	225.028	-0.816	50	10	BBGE	
OB(O)c1cc(F)cnc1N1O[C@H]2CC[C@H]1C2	2247071675	OVGMRXLHJKRCDO-YUMQZZPRSA-N	238.027	-0.427	50	10	BBGE	
CN1CCCN(C(=O)C2(B(O)O)CCC2)CC1	2247735914	PWKBWHVWVWUYQP-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N(O)C1CCCC1	2247741290	XJAQJEMRAYQMCS-UHFFFAOYSA-N	238.052	-0.532	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1occc1B(O)O	2247751057	RZTNXQCHQDMJIX-NSHDSACASA-N	235.048	-0.509	50	10	BBGE	
O=C(NC[C@@H]1C[C@]12CCOC2)C1(B(O)O)CC1	2247751470	YCIDTZRKFAHRDC-WPRPVWTQSA-N	239.080	-0.464	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1CO)C1(B(O)O)CC1	2247753488	HPFJBIPGPLIKRX-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
CCc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247790204	FZYMBXZYQTXWRL-YUMQZZPRSA-N	237.068	-0.549	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1CO)[C@H]1C[C@H](B(O)O)C1	2247798780	XCXVWWRMDVSERL-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)C1CC(B(O)O)C1	2247799532	FAEVPPISCLDWCX-UHFFFAOYSA-N	233.076	-0.229	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]2CC[C@H]21	2247799930	JNVVIMQZJXVYOS-UTINFBMNSA-N	238.096	-0.846	50	10	BBGE	
O=C(Nc1cccnc1)c1cc(B(O)O)sn1	2247800816	TTXSHNYPKFAQJN-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247806507	FLPQNSFFMSFUBC-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC=C[C@H]1CF	2247847960	FBQMIBJBLZLSDD-ZETCQYMHSA-N	239.011	-0.691	50	10	BBGE	
CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247897368	RLAYSEJRDGULDA-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CCC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247897371	RLAYSEJRDGULDA-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1OCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1C	2247897609	VIGLYILPQTVQRK-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
CN(Cc1cccnc1)C(=O)[C@H]1C[C@@H]1B(O)O	2247897619	VJINPDOUCJDRAT-UWVGGRQHSA-N	234.064	-0.097	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC[C@H]1O	2247900073	SPWUWNZMSHGATH-UYXSQOIJSA-N	241.096	-0.485	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)C2CC(B(O)O)C2)[C@H]1O	2247904233	OZPHMHHTDRAGOU-GEPGNKONSA-N	241.096	-0.485	50	10	BBGE	
N[C@@]12CC[C@@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2247904885	RGFBDRFWNLRXLD-SDNRWEOFSA-N	238.096	-0.811	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H]1N	2247904899	RJIWXNFQAOCEEV-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
C#CCONC(=O)Nc1ccccc1B(O)O	2247980072	VHWZMKSXQCHIAH-UHFFFAOYSA-N	234.020	-0.947	50	10	BBGE	
CC1(C)C[C@@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248565343	DDXRBBUEKHNHBB-SNVBAGLBSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)[C@@H](F)C(=O)O	2248579132	UPOBSKACCJMCSR-NTSWFWBYSA-N	247.031	-0.832	50	10	BBGE	
O=C(NC1(C(=O)O)CCCC1)[C@H]1C[C@@H]1B(O)O	2248584743	AVQJIUSCECHLOV-BQBZGAKWSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586613	DESUZQIMLMPBIC-JQCUSGDOSA-N	241.052	-0.781	50	10	BBGE	
C=CCCNC(=O)c1ncc(B(O)O)cc1C	2248968178	JBJGVKVTXCZQSR-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
CCN(C)C[C@H](O)CN1CCC(B(O)O)CC1	2249378450	NPSKVBKDJGYIRK-NSHDSACASA-N	244.144	-0.762	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2251034602	YJXGBTJEVDIFEV-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CCC12CCC2	2254962423	RNJPTZNZVMURQX-SECBINFHSA-N	248.091	-0.497	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1cc(C)cc(B(O)O)c1	2255514916	PJBJOUOQPAFVQQ-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
CN(Cc1ccncn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2255572074	VHSYAJPYVMOALW-KYZUINATSA-N	249.079	-0.312	50	10	BBGE	
C#CCCCNC(=O)c1ncc(B(O)O)cc1C	2257487262	LZCQWDALIZDOOA-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	2298357593	XZMGIIPMVQVMKR-ZOZBQHSOSA-N	237.303	-0.083	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)[C@@H]1C[C@H]1B(O)O	2298374903	SJMDQJHFLPVMBY-JAJCVEGXSA-N	239.080	-0.875	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2OC	2302208637	XIDOSACFIQKWIG-KATARQTJSA-N	243.307	-0.900	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2304297580	HTPJKEFILXMFNA-IMSYWVGJSA-N	241.096	-0.533	50	10	BBGE	
CC(=O)N(C)C1CN([C@H](C(=O)NN)C(C)C)C1	2307922820	GQZVLLNOFBEOPD-JTQLQIEISA-N	242.323	-0.837	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2(F)CC1C2	2317166121	RNJQBWRUTMQOEM-UHFFFAOYSA-N	246.050	-0.071	50	10	BBGE	
O=C1CSSCC(=O)NCCN1	1745359	ONKMKZLQXHADOR-UHFFFAOYSA-N	206.292	-0.386	50	10	BBGE	
O=C(CCCl)NCCS(=O)(=O)O	41698617	YVZGRVRBIBCKSU-UHFFFAOYSA-N	215.658	-0.381	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CC(=O)O	42162893	USMBOFOBRFDQHO-QMMMGPOBSA-N	243.263	-0.907	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1N(C)C	125705084	DPXMACCNRGZEJH-UWVGGRQHSA-N	242.367	-0.116	50	10	BBGE	
Cc1ccc(C2OCCO2)cc1B(O)O	197443383	QDJFWNSICRYAHL-UHFFFAOYSA-N	208.022	-0.280	50	10	BBGE	
CC1(C)CN(Cc2ccccc2B(O)O)CCO1	199007284	YAFROTNZNVCDLW-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
O=C(NN1CCCC1)c1ccc(B(O)O)cc1	204705811	YVBGMRYDCOWLMX-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
CCOC(=O)Nc1ccccc1B(O)O	204755997	XLUSGJJWGHPONN-UHFFFAOYSA-N	209.010	-0.065	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1	227100897	DDBMWKNBCXVGOZ-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
CC(C)(CN1CC[C@@](C)(C(N)=O)C1)C(=O)NN	232516986	PCBJRESUMSHKGA-LLVKDONJSA-N	242.323	-0.800	50	10	BBGE	
COC[C@H]1CCCN(C[C@@H](C)C(=O)NN)C1	234734553	HAAJLROHAYQJAZ-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
N#CCn1ccc2ccc(B(O)O)cc21	238648878	RDSHVXOZGFLLFD-UHFFFAOYSA-N	200.006	-0.155	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	300986588	VDMMOCBLKCECQJ-TUUAOYNMSA-N	225.292	-0.934	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1CS2	306703126	BBOULJYPNOLGLC-GJMOJQLCSA-N	215.322	-0.055	50	10	BBGE	
COCCO[C@@H]1CNNC(=O)[C@H]1Cl	308130595	ILNFADJRVJRCNY-RITPCOANSA-N	208.645	-0.740	50	10	BBGE	
NC(=O)[C@@]1(O)CCCN(C(=O)CCCCl)C1	309227051	RZYMKENSBYXPJN-SNVBAGLBSA-N	248.710	-0.156	50	10	BBGE	
COCC(COC)O[C@@H](C(=O)NN)C(C)C	309410780	VOIOHPATCQMZIL-SECBINFHSA-N	234.296	-0.321	50	10	BBGE	
Cc1ccc(Cn2cnccc2=O)cc1B(O)O	314122947	GZJOAWCTEVCKRW-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H](O)CC1	378796323	QREWBWDCSUWAQS-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@@H]2CCCC[C@H]2O1	379026540	CXAQMTJTQUKUJO-XHNCKOQMSA-N	241.291	-0.560	50	10	BBGE	
C[C@H](Cn1cnc(C2CC2)n1)C(=O)NN	379883871	XEWVWZYOSIMDNS-ZCFIWIBFSA-N	209.253	-0.219	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](CN)C1	395794072	ALQFHLIBZREYIN-IUCAKERBSA-N	228.340	-0.328	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(OC)c1	396033666	QRXRPXOGLCWNLT-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1C(=O)O	396132684	LJSIIOQTLHHICW-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
Nc1c(B(O)O)sc2cc(C=O)ccc12	396252675	IRTOYFSWJNGMMY-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@]1(C)COCCN1[C@@H](C)C(=O)NN	687844993	HKBFJJKAWXRHCS-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CO)CN(C)[C@H](C(=O)NN)C(C)(C)C	688406491	XYUGMTBPOBZGTM-DTWKUNHWSA-N	231.340	-0.049	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)CC[C@H]1C	688752325	CYXMUUZBIONZOK-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nncn1C	689507564	ZFNUCERWVDULLR-LURJTMIESA-N	232.671	-0.315	50	10	BBGE	
CO[C@H]1C[C@H]1C(=O)Nc1cc(C)cc(B(O)O)c1	690070365	ARTLMWXMSYXBOP-MNOVXSKESA-N	249.075	-0.352	50	10	BBGE	
COC(=O)N(C)CCN(C)CCCC(=O)NN	690815593	JGORHYUEPMATSV-UHFFFAOYSA-N	246.311	-0.614	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1nncn1C	690856238	DRTYAPJTROPQFY-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1cccnc1CCn1cc(B(O)O)cn1	694563113	WIOQFQJKXYWMAP-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
OCC[C@H]1COCCN1C[C@H](O)CCl	694963646	DHGUKARQVJEPNG-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696780567	SXUHAHOQTRQKHR-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1cccc(OCCn2ccnn2)c1	699051324	RYVAYHIZEUZYCJ-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@H]1C1CC1	699061058	JIMHEHLEFVSACY-IUCAKERBSA-N	246.075	-0.254	50	10	BBGE	
CN1CC[C@@H](N2[C@H]3CC[C@H]2C(=O)OC3=O)C1=O	703435358	AGIATQFZWLLUFM-CSMHCCOUSA-N	238.243	-0.867	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1cccc(B(O)O)n1	704337736	FFEJFJQBDZPYEJ-RDDDGLTNSA-N	234.064	-0.254	50	10	BBGE	
COC[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)CCO1	705869847	QMJOGBMLHCMMES-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
Cn1nnc(CN[C@@H]2CCOC[C@H]2Cl)n1	706727654	QORWYTQCHZAVBG-RNFRBKRXSA-N	231.687	-0.304	50	10	BBGE	
C#C[C@]1(O)CCN(C(=O)NC(=O)[C@@H](C)Cl)C1	708105400	ZGCHXMKUPUTIGR-XCBNKYQSSA-N	244.678	-0.080	50	10	BBGE	
Cc1nn(C)cc1CN(C)CCC(=O)NN	716413864	NPYPUUGSHIMBPA-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
CO[C@]1(CN2CC(=O)OC(=O)C2)CCSC1	719235653	PBYQPNBSKLFJDA-JTQLQIEISA-N	245.300	-0.106	50	10	BBGE	
CN(CCCl)S(=O)(=O)C1=NCN=C1	725595221	WTAWQHRPPSPGEO-UHFFFAOYSA-N	223.685	-0.073	50	10	BBGE	
C[N+]1=CC([S@@+]([O])(=O)NCCCl)=NC1	725599288	VXYMZTLJJBJFCT-ZDUSSCGKSA-N	224.693	-0.343	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H]1CSC(=O)N1	740738286	CUMDELKVQMNTNF-YFKPBYRVSA-N	231.277	-0.385	50	10	BBGE	
CN(C)C(=O)[C@@H](Cl)c1nnn(C)n1	829251859	LXQULHNAFACTDQ-BYPYZUCNSA-N	203.633	-0.422	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=S)NC(C)C	1119526776	HEJWMQSRUUDOSQ-MJSGSUOKSA-N	231.321	-0.173	50	10	BBGE	
CCn1cnc(C(=O)NNC(=O)c2cnn[nH]2)c1	1293052931	LHXHAEMJUZGLPU-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1cn[nH]c1	1530260111	VXISGZAOKFOHPJ-UHFFFAOYSA-N	204.136	-0.564	50	10	BBGE	
O=C(NNc1ncc(F)cn1)[C@@H]1C[C@H]1[N+](=O)[O-]	1623197675	YMPSGDXNMYNVMN-PHDIDXHHSA-N	241.182	-0.276	50	10	BBGE	
CC(C)C(=O)NNC(=O)CC1CS(=O)(=O)C1	1628603950	RUJWOWPGRBZGGM-UHFFFAOYSA-N	248.304	-0.776	50	10	BBGE	
O=C(NNc1ncccc1F)C1(O)COC1	1635136728	MKFDHBFJPPZOEQ-UHFFFAOYSA-N	227.195	-0.575	50	10	BBGE	
Cn1c(C#N)ccc1C(=O)NNc1nc[nH]n1	1654622590	XRJQDXVVSJXLNI-UHFFFAOYSA-N	231.219	-0.228	50	10	BBGE	
O=C(NC/C=C\Cl)NNC(=O)c1ncon1	1676594199	HTGIINCBYDUZJD-UPHRSURJSA-N	245.626	-0.234	50	10	BBGE	
N[C@@H](CO)C(=O)NC[C@H]1C[C@H]1Br	1881354015	RCRMZSJMQMORKP-PBXRRBTRSA-N	237.097	-0.794	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1Cl)C(CO)CO	1883633844	CSVCVILEEKFJQC-RQJHMYQMSA-N	207.657	-0.575	50	10	BBGE	
Nc1c[nH][nH]c1=NC(=O)[C@@H]1C[C@H]1Cl	1883638173	DAYDKALNKTTWLY-QWWZWVQMSA-N	200.629	-0.020	50	10	BBGE	
O=C(CCl)N1C[C@H](CO)OCC12CC2	1886195312	QQCHHWVGVDOGOW-SSDOTTSWSA-N	219.668	-0.023	50	10	BBGE	
C[C@H](O)CCCN(C)[C@H](C)C(=O)NN	1886909840	XGFAUAQRMQUUJH-JGVFFNPUSA-N	203.286	-0.542	50	10	BBGE	
O=C(CCCl)N1C[C@H]2CS(=O)(=O)[C@H]2C1	1887072301	MRQGDGRGQHXLOJ-BQBZGAKWSA-N	237.708	-0.129	50	10	BBGE	
NNC(=O)CCOCC1[C@@H]2COC[C@@H]12	1890317209	RHBHHKSFOLKQIU-YUMQZZPRSA-N	200.238	-0.725	50	10	BBGE	
CC(C)OCc1nc(B(O)O)cs1	1891823314	ICLXKRASPWUBGQ-UHFFFAOYSA-N	201.056	-0.252	50	10	BBGE	
COC1(C(N)=O)CN(C[C@H]2C[C@@H]2Cl)C1	1893098552	JFUKFXYKTULEMN-RQJHMYQMSA-N	218.684	-0.200	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCOC[C@@H]1CO	1893452934	JJUCPPCIRSQCNP-BIIVOSGPSA-N	219.668	-0.167	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CC12CCC2	1894256605	LWEOFQJNUMNOJY-JGVFFNPUSA-N	223.276	-0.233	50	10	BBGE	
CS[C@H](C(=O)NCCC#CB(O)O)C1CC1	1899656376	AHEIEHLCLNIQCY-VIFPVBQESA-N	241.121	-0.350	50	10	BBGE	
CN(NC(=O)c1c[nH]ccc1=N)S(C)(=O)=O	1901348697	MWDRPIRFSHIDOT-UHFFFAOYSA-N	244.276	-0.970	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H](C)CN1	1901376523	BMJBEXYNXMXXOC-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
CCCOCCOCc1nc(B(O)O)cs1	1902655062	YTILCJZVMYKRPL-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
C#CC(C)(C)Nc1cc(B(O)O)c(F)cn1	1903005318	FVRBFGNWWDANEO-UHFFFAOYSA-N	222.028	-0.276	50	10	BBGE	
CN(C)NC(=O)N1CC2(C[C@H]2C(=O)O)C1	1914778239	GILOOQXRPWZNMT-LURJTMIESA-N	213.237	-0.421	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1CC(F)C1	1917263110	XFZXXYIZKLYFLM-UHFFFAOYSA-N	227.019	-0.341	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)C(C)(CO)CO	1923448994	OMVCXSMZRZXNDU-UHFFFAOYSA-N	248.279	-0.467	50	10	BBGE	
CN(C)NC(=O)CO[C@H]1CCCNC1	1932653303	XVOHDRVRFXVZOV-QMMMGPOBSA-N	201.270	-0.652	50	10	BBGE	
C[C@@H]1[C@H](C(=O)NNC(N)=S)C1(F)F	1932943566	KFUUQKGCDYPTFT-PWNYCUMCSA-N	209.221	-0.248	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](CCO)C1	1936095531	XYFVWQIEWVPGEG-OPRDCNLKSA-N	227.308	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2COCC[C@@H]21	1937638841	APVCECCNGXAXKA-KYXWUPHJSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)C1(Cn2ccnc2[N+](=O)[O-])CC1	1938248797	LIJXFDSIMSABRA-UHFFFAOYSA-N	225.208	-0.439	50	10	BBGE	
CN1CC(N(C)Cc2ccc(C(=O)NN)o2)C1	1941724340	BHONHDJYKKXWEA-UHFFFAOYSA-N	238.291	-0.371	50	10	BBGE	
CNC(=O)[C@@H]1[C@H](C)CCN1CCCC(=O)NN	1942612064	CRSBFIOORLCPHE-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
CNC(=O)[C@@H]1[C@@H](C)CCN1[C@@H](C)CC(=O)NN	1942613064	LMKLYWDBHUFMQO-NRPADANISA-N	242.323	-0.789	50	10	BBGE	
CN(C)C[C@@H]1CCN(CC2(C(=O)NN)CC2)C1	1945883722	DVPOXNUQOOQXBM-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
CN1CCC[C@@H](CCn2ccc(B(O)O)n2)C1	1946086651	UKWZXWRYTMUHIK-JTQLQIEISA-N	237.112	-0.705	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC2)C[C@@H]1CO	1949697304	NKQVLCWOIBFGNM-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
CSCCCCC(=O)NCB(O)O	1954109798	BHUVFBNFAVOVEY-UHFFFAOYSA-N	205.088	-0.352	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)C[C@H](C)N1	1955777899	WGSKZOBWVILXOK-YUMQZZPRSA-N	200.286	-0.145	50	10	BBGE	
CCC[C@H]1CCOCC[C@@]1(N)B(O)O	1956321954	NKEYUYJASCKOND-IUCAKERBSA-N	201.075	-0.077	50	10	BBGE	
CCN(CC(=O)NN)C[C@H]1CCOC1	1956771384	XXVKGDLPSHJZSU-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281404	QXCBSPOLVPASOG-MVIOUDGNSA-N	237.708	-0.227	50	10	BBGE	
COC[C@H](S[C@H](CN)C(C)C)C(=O)NN	1958095446	WSPIJORDXWSGOA-SFYZADRCSA-N	235.353	-0.292	50	10	BBGE	
COc1nn(C)cc1CN(C)C(=O)NN	1960737659	WOBJLRAFSXWCCC-UHFFFAOYSA-N	213.241	-0.556	50	10	BBGE	
OB(O)c1csc(N2C[C@H](F)[C@H](F)C2)n1	1961719106	YKUKPNHOIBECKY-SYDPRGILSA-N	234.036	-0.681	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961927298	UBZKPKFSVCHIIT-XGQMLPDNSA-N	233.695	-0.044	50	10	BBGE	
O=C([C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)N1CC(Cl)C1	1962303991	GGIUUXIZOCZASW-RNLVFQAGSA-N	249.719	-0.273	50	10	BBGE	
OB(O)c1ccccc1CN1CC(CF)C1	1976235070	BMPWAMUVIWWJPM-UHFFFAOYSA-N	223.056	-0.232	50	10	BBGE	
NNC(=O)C(=O)NCc1ncoc1C(F)F	1976685273	PLEZTNWQPUNYPH-UHFFFAOYSA-N	234.162	-0.782	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)CC1(C)C	1982496039	AWOSJDWNBYQLMT-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@H](O)[C@H]1C2	1983568706	WTBKDERKBAQWEQ-OPRDCNLKSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@H]21	1984030264	CTRABBICDJSJBA-XGEHTFHBSA-N	227.308	-0.544	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]1C(C)(C)O	1989116665	GIQNPHCEPDFFAM-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1csnn1	1990775556	XEXOZBOWROUDRO-UHFFFAOYSA-N	243.292	-0.863	50	10	BBGE	
C[C@H]1OCC[C@]1(O)CNC(=O)/C=C/C(=O)Cl	1991706753	SWJBKHPYUOLZIK-ZVAGAUQRSA-N	247.678	-0.036	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C(F)(F)CO)C1	1991991095	BLLDVEDABPCQDF-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
NNC(=O)C(F)(F)CCN1[C@H]2COC[C@H]1C2	1992321413	ANIPAVUXLVLYHJ-RNFRBKRXSA-N	235.234	-0.525	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccc(B(O)O)cc1	1992837519	ZHBFFYKRTKLKST-IUCAKERBSA-N	223.012	-0.793	50	10	BBGE	
CCC(CC)C(=O)Nc1ncc(B(O)O)cn1	1996646762	GABODFTZHBCROL-UHFFFAOYSA-N	237.068	-0.469	50	10	BBGE	
O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NNCCO	2001926344	NPQAAYJTOMFFCI-JBDRJPRFSA-N	242.275	-0.654	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2C[C@H](N)C2)CC1	2003135599	NQCGTDZVQHEJPX-MGCOHNPYSA-N	237.303	-0.009	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(n2ccnn2)C1	2003858969	RJECZYVNEZLEPB-QMMMGPOBSA-N	238.295	-0.707	50	10	BBGE	
OB(O)c1cnc(O[C@H]2C[C@H]3C=C[C@H]2C3)nc1	2004930842	XFNBYXDYQKFBHK-NRPADANISA-N	232.048	-0.500	50	10	BBGE	
COC[C@H]1CCCN1c1ncccc1B(O)O	2004934854	IXRFKULHPWIZTR-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC[C@H]1CN(c2ccncc2B(O)O)CCO1	2004936110	VBMXKAYSICSWPA-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(C)n(-c2nccc(C)c2B(O)O)n1	2004989972	CXYAWXGYDMDMQO-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)Cc1nn(C)cc1C(=O)NN	2005108895	UBMRRVWHTWXCGT-XCBNKYQSSA-N	237.307	-0.136	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]2[C@@H]1CCN2C	2012127512	MAFQFDVFWRYGJG-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
CC(C)CC1(O)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2014744686	KFADEBWCVASIIV-ZJUUUORDSA-N	241.335	-0.295	50	10	BBGE	
C[C@@]1(C(F)(F)F)C[C@H]1C(=O)NCC#CB(O)O	2021107544	TZPOMEDLIUPISB-POYBYMJQSA-N	248.997	-0.294	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@]2(CO)C1	2021657669	WURMIFSWLKZCTI-UXCLJVHYSA-N	241.335	-0.295	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccccc1B(O)O	2022197149	YGZCAAOWCTZXGI-UHFFFAOYSA-N	243.018	-0.249	50	10	BBGE	
CCOC1(C(=O)Nc2cccc(B(O)O)c2)CC1	2047757018	AXJCBLATXMYXJU-UHFFFAOYSA-N	249.075	-0.126	50	10	BBGE	
Cc1cc(OCc2cn(C)cn2)cc(B(O)O)c1	2049635127	SJMMMEXJJMYZFO-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2[C@@H]3CC[C@@H]23)n1	2052626829	XXORJLIHVFXNSQ-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CCc2c(B(O)O)cccc21	2055635022	ZOKVGEPWOOZJKP-SCZZXKLOSA-N	249.050	-0.387	50	10	BBGE	
Cc1ccncc1Cn1cc(B(O)O)ccc1=O	2058155301	LRQSKUHQGYSZQB-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
Cc1ccc(OC[C@H]2[C@H]3COC[C@H]32)c(B(O)O)c1	2068627012	DVWDTVWJSJNFKQ-JGPRNRPPSA-N	248.087	-0.054	50	10	BBGE	
Cc1nc(N2CC[C@H]3COC[C@H]32)ccc1B(O)O	2077847751	ZAFIMMRPRSNPOC-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
C[S@@](=O)Nc1nc(B(O)O)ccc1Cl	2210099553	UADQBXHJMKFYAT-CQSZACIVSA-N	234.473	-0.880	50	10	BBGE	
Cc1c(N2CCC(O)(C#N)CC2)nnn1C	2210846544	HEWAKHDYTLSMPC-UHFFFAOYSA-N	221.264	-0.022	50	10	BBGE	
CC1(C)SC[C@H]1Nc1ncc(B(O)O)cn1	2212602675	HWXFSSGZFJKPNJ-SSDOTTSWSA-N	239.109	-0.538	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@@H]3C2)c1	2212615803	VDRMSYPWRCTHMB-DTWKUNHWSA-N	218.065	-0.392	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@]2(F)C[C@H]2C)n1	2214489457	YQBUZDAUNZBLKD-LHLIQPBNSA-N	240.043	-0.408	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1CC1(C(=O)NN)CC1	2214801248	OZGLLMXAAOSXCS-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@@H]1O	2216531642	FAQVFQBNEAPTDY-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
Cn1cnn(CC2(C(=O)NN)CCCC2)c1=O	2216865394	WJIVCMZPPNXOJE-UHFFFAOYSA-N	239.279	-0.868	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)c(C)cn1)C1CC1	2217183030	INXJNLGJFZVEAZ-NSHDSACASA-N	230.076	-0.106	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)[C@H]1CCCN1	2217184500	PHHGFGAAVZKKRJ-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CC[C@@H](C)[C@H](N)COc1ccc(B(O)O)cn1	2217187665	CCDCMQZGXKJDRX-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
CC(C)(C)[C@@H](CN)Oc1cc(B(O)O)ccn1	2217191305	CCLPIXUTSRLJHX-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccnc(NCc2ccc(F)cn2)c1	2223627019	LINQKNKEDBPVIP-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
NC[C@H]1CCCC[C@H]1Nc1ccc(B(O)O)cn1	2223630086	XXHXVLGINJVONF-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
N[C@H]1CC[C@H](CNc2cc(B(O)O)ccn2)CC1	2223635568	YRQLETSAEWSMDK-HOMQSWHASA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H](O)[C@@H]2C2CC2)c1	2223668671	ZPLXXVMTPHYQEN-PWSUYJOCSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CN[C@H]2CCC[C@@H]21	2223674805	NMJPTNIJDRHGAU-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
CCN(C[C@@H]1CCCN1)c1cc(B(O)O)ccn1	2223678360	AMQBXJVNZWEXJA-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CP(C)(=O)[C@@H]1CN(C(=O)NN)CCO1	2242181243	JGARIIJCFQTIQA-ZCFIWIBFSA-N	221.197	-0.149	50	10	BBGE	
C[C@H](F)CCNC(=O)c1coc(B(O)O)c1	2243349652	OOXJRIFIPHDDAA-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
Cc1nc(C(=O)NC[C@H](C)F)c(B(O)O)s1	2243361377	AJQATKPJSUJOQY-BYPYZUCNSA-N	246.072	-0.781	50	10	BBGE	
C#CCN(C)C(=O)c1sc(C)cc1B(O)O	2243381485	GLRIRKTWJZNAJQ-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
CCCN(O)C(=O)c1scc(B(O)O)c1C	2243382578	QHHWZJOXFVTGLT-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CC2)c1	2243397851	KGWLRHLIODRIJO-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC12CCC2	2243398245	CFFAFTDEDCBMKX-SECBINFHSA-N	221.065	-0.207	50	10	BBGE	
CC(C)C[C@@H]1CC[C@@H]1NC(=O)C#CB(O)O	2243399496	MRBLXKTXVCANDG-UWVGGRQHSA-N	223.081	-0.057	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCCC[C@H]2C1	2243400755	HKZKMADCZANWIE-UWVGGRQHSA-N	221.065	-0.350	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(B(O)O)o1	2243401700	VUWLHZRRHZPOEP-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C#CCN(CC)C(=O)c1sccc1B(O)O	2243407219	NSVFHXHCCWNUOO-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1csc(B(O)O)c1	2243408265	KAJBLLKZWAOGBE-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC(C)C	2243410048	UOBIQZYSSNOOLC-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
C[C@H]1[C@H](C)CC(=O)N1C(=O)C1(B(O)O)CC1	2243410564	DHYPAJHXJCDANV-RQJHMYQMSA-N	225.053	-0.223	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)C1(B(O)O)CC1	2243411515	VDXDYPFTPAELFI-UHFFFAOYSA-N	229.041	-0.939	50	10	BBGE	
Cn1ccc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]1	2243427644	YKIFRBOCEBCTAK-LJGSYFOKSA-N	223.041	-0.967	50	10	BBGE	
CC(F)(F)C(=O)NCc1sccc1B(O)O	2243684490	ANEVCQUTSQPMIS-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H]1CCO1	2246211710	UBSWISSYSOVDCP-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@]1(CO)C=CCCN1CC1(C(=O)NN)CC1	2246349624	JNBKXJYBDNPTLO-LLVKDONJSA-N	239.319	-0.231	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)c[nH]2)CC(F)C1	2247744938	ZTGHLTVGNJVLAM-UHFFFAOYSA-N	240.043	-0.685	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)[C@@H]1CCCO1	2247754853	GAZOOKWVUZSMLR-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NCCCOC1CC1)[C@H]1C[C@H](B(O)O)C1	2247809119	NZXZAFRTRRWOAE-KYZUINATSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)c1nc[nH]n1	2247810558	YHZZRFBOEAHWJH-FSDSQADBSA-N	238.056	-0.765	50	10	BBGE	
O=C(NOC1CCCC1)c1coc(B(O)O)c1	2247870325	IBGWKFCMZJBDDX-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
Cc1cccc(C(=O)N[C@H]2C[C@H]2C)c1B(O)O	2247874601	NGTBOJSGBIDYPV-SCZZXKLOSA-N	233.076	-0.187	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2247878449	JWORQVRHXQQMOB-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CC1(N)CCN(C(=O)C2CC(B(O)O)C2)CC1	2247892861	IXHSQFNSGIKLDI-UHFFFAOYSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1OCC[C@@]1(C)NC(=O)C1CC(B(O)O)C1	2247893853	ZMBUEBPERNEDCR-QBFIILHKSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247894434	GUZLLUVOCWFWLP-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@H](CO)C1	2247895011	NDJLCFCEQLNSBQ-LPEHRKFASA-N	241.096	-0.530	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)[C@@H]1C[C@H]1F	2248252329	JBSMWAZQAATUBQ-PHDIDXHHSA-N	241.990	-0.803	50	10	BBGE	
O=C(O)[C@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2248586744	GGDMJVHQCDLKLD-ZETCQYMHSA-N	239.036	-0.907	50	10	BBGE	
O=C(O)C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248593002	IMXRDNUQCMSNCF-XUTVFYLZSA-N	241.052	-0.781	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1cocc1B(O)O	2249411309	QWJCCAJESOLEAH-MHYGZLNHSA-N	235.048	-0.512	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1cc(B(O)O)co1	2249420819	YSUVZASTGWDMMT-FTLITQJKSA-N	235.048	-0.512	50	10	BBGE	
NNC(=O)[C@@]12CC[C@@](CN3CC(F)C3)(C1)OC2	2251800941	NIZCAVWHKJFSLT-QWRGUYRKSA-N	243.282	-0.431	50	10	BBGE	
O=C(NCC1C[C@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2255467986	USCPYMDKQQNMIM-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
C=CC1CC(NC(=O)c2cc(B(O)O)cn2C)C1	2255494182	JEIJUQTZTWKBHG-UHFFFAOYSA-N	248.091	-0.601	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC2(CCCC2)C1	2255555114	WLIMCMJPDOLZFR-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C=C[C@@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CCC1	2255555335	ZLYLHYQSDUKULL-MRVPVSSYSA-N	249.079	-0.826	50	10	BBGE	
OB(O)c1cnn(C[C@H]2OC[C@@H]3CCC[C@H]23)c1	2297996640	YUGCBGOPAQXWPU-INTQDDNPSA-N	236.080	-0.622	50	10	BBGE	
C=C[C@@]1(O)CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165891	DZCJVOZOFYOGMM-HOSYDEDBSA-N	239.319	-0.375	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)C#CB(O)O	2298367404	DHYRCVSIRQNQHW-AEJSXWLSSA-N	237.064	-0.972	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]1B(O)O	2298369811	GLSJMQRVMAFHPA-SOYHJAILSA-N	239.080	-0.515	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2298369849	HKUVDOMVABSFOF-KATARQTJSA-N	240.112	-0.600	50	10	BBGE	
COC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371834	XGXQTXLJICHNTH-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2299719859	QLYYPRKRFRCDPL-HLTSFMKQSA-N	240.112	-0.694	50	10	BBGE	
CN1CC(COCCC[C@H]2C[C@@H]2C(=O)NN)C1	2300355277	ATZMLWPMQGVKAH-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](N)CCNc1ccc(C=O)c(B(O)O)c1	2301421728	YMKVUGHKPMLWLY-MRVPVSSYSA-N	236.080	-0.672	50	10	BBGE	
CN(C[C@@H]1CCO1)c1ncc(B(O)O)cc1F	2302412303	HZTOSYLVYSUSGL-QMMMGPOBSA-N	240.043	-0.874	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](CO)[C@@H](F)C1)C(=O)NN	2303421845	AUGQMENHQJWQFZ-ATZCPNFKSA-N	247.314	-0.345	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H](CF)C2)ncc1F	2303834426	FZHUXJABUGYKSP-ZETCQYMHSA-N	242.034	-0.304	50	10	BBGE	
C[C@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)CN1	2303847730	NHMIVZPTWJWZEA-NKWVEPMBSA-N	239.059	-0.937	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1cocc1B(O)O	2313081533	MOEDSASEZXCHBP-LAEOZQHASA-N	249.075	-0.122	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](Nc1ncccc1B(O)O)CO2	2315939370	SWTPMNBXAURVHC-UISBYWKRSA-N	248.091	-0.259	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@H](N)C1	2317150264	CQQTYOYPXRRZBP-NSHDSACASA-N	245.091	-0.834	50	10	BBGE	
CNC[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2317165602	MHVHZLBLBJMJFE-SECBINFHSA-N	247.107	-0.495	50	10	BBGE	
CCCOCCn1cc(C(=O)NN)nn1	82464966	PLJBMPNCRBAFIU-UHFFFAOYSA-N	213.241	-0.692	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCNCC1	82470535	USKKTJMBFMCADS-MRVPVSSYSA-N	200.286	-0.950	50	10	BBGE	
C[C@@H](CCC(=O)NN)SC[C@H](O)CO	86661901	RSHXMIUTLMSTBV-NKWVEPMBSA-N	222.310	-0.769	50	10	BBGE	
CN1CCC[C@@H]2CN(CC(=O)NN)CC[C@@H]21	88091359	YBNXKORQRVLKNT-ZJUUUORDSA-N	226.324	-0.608	50	10	BBGE	
CN1CC[C@@H](CN(C)CC(C)(C)C(=O)NN)C1	93727922	INWCORUHNOGCTI-SNVBAGLBSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1C(=O)N(CC(C)(C)C(=O)NN)C(=O)[C@@H]1C	93728337	PJUUMKXWUWBEMA-RNFRBKRXSA-N	241.291	-0.357	50	10	BBGE	
Cc1cnc(=O)n(Cc2cc(C(=O)NN)co2)c1	110603701	NNBKCOUDMCPDBL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
NNC(=O)CN1CCCCC[C@@H]1CO	124389907	GTAYMEDTJBYILS-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
NC(=O)NNC(=O)c1cc(F)ccc1O	150023362	UZVJXNNCEMDNCE-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
Cn1nnnc1SC[C@@H](O)CCl	156283487	LEBNIWBZWYHSDY-BYPYZUCNSA-N	208.674	-0.098	50	10	BBGE	
CC(=O)N[C@@H]1COC[C@H]1C(=O)CCl	156807301	IPZFRMNCQGELPG-RNFRBKRXSA-N	205.641	-0.055	50	10	BBGE	
CNCC(=O)NNC(=O)c1cc(C)oc1C	195125735	SOBUFJRAMRCWIM-UHFFFAOYSA-N	225.248	-0.123	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cc2)C1=O	204251079	WDMJNRAEBHTYMI-UHFFFAOYSA-N	220.037	-0.762	50	10	BBGE	
O=C(CNC1CCC1)N1CCC[C@@H]1B(O)O	213694920	BYSBLNSCHBIOLU-SECBINFHSA-N	226.085	-0.869	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C1CC1	232419220	SLEJSRPRPUBMHC-IONNQARKSA-N	215.297	-0.278	50	10	BBGE	
COC[C@H]1CCCN(CCC(=O)NN)C1	234728486	FCNPFARSRZOFDW-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
O=C(CCCCCl)NC(CO)(CO)CO	236485427	KJPVVCVBXYXYCF-UHFFFAOYSA-N	239.699	-0.773	50	10	BBGE	
Cc1nccn1-c1ccc(B(O)O)cn1	238499675	ARFDJNFVPMRQJF-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cc2)cn1	238550826	VBNHEWBPHWPEBH-UHFFFAOYSA-N	202.022	-0.139	50	10	BBGE	
N#CC1=C([C@H]2CCS(=O)(=O)C2)NC(=O)C1	259890591	LNLCMQGVPIUEQZ-LURJTMIESA-N	226.257	-0.281	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cnsn1	278047055	WMJUAMRZWFGXJC-UHFFFAOYSA-N	230.249	-0.930	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C)C[C@H]1C	300354231	CTWHHLBHIYPGDR-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
O[C@H]1O[C@@H](CCl)[C@H](O)O[C@@H]1CCl	306786257	OWWRQJHWBSJURG-GUCUJZIJSA-N	217.048	-0.115	50	10	BBGE	
OB(O)c1c(O)cc2ccsc2c1O	307026743	KJQOBNISSFRRCS-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@@H]3C2)c1	307212572	PFPDLTILGHFFPG-GHMZBOCLSA-N	217.077	-0.182	50	10	BBGE	
NNC(=O)c1ccoc1Cn1ccncc1=O	310133296	IGXMSJICOOIRGR-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CCC2)CC1	328401683	MPMXSUYMVDQNDE-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
N=c1[nH]cncc1C(=O)NNC(=O)C1CC1	381463840	KPAZXAQGCIYBPN-UHFFFAOYSA-N	221.220	-0.940	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	381887858	QUHWJEXHCLCGTO-RBXMUDONSA-N	223.276	-0.519	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](CO)[C@H]1C	385687210	OPAYAMOWUDYWIJ-AXTSPUMRSA-N	229.324	-0.296	50	10	BBGE	
N#CCCc1cccc([N+](=O)[O-])c1B(O)O	396057907	VNAZGWYUJSLARG-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
N#Cc1cc(B(O)O)c(CO)c2ccsc12	396221761	MUSSQKKZNFUWIG-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1c(O)sc2cc(B(O)O)ccc12	396380573	KAYLVWAHPVJHPC-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN1C(=O)N[C@@H]2[C@@H](Br)CNC[C@@H]21	605691633	NZGCYQKKWMFNDY-HCWXCVPCSA-N	234.097	-0.255	50	10	BBGE	
CCN1C(=O)CN(S(=O)(=O)CCl)C1=O	688927391	PAQUYZBTPQGPPO-UHFFFAOYSA-N	240.668	-0.203	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CN(C)C)C1	689157039	BNUZIQVOQSVHQM-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
Cc1cnc(COc2cncc(B(O)O)c2)nc1	692520646	WTMGXWAARULMLP-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
ClCCc1cn(CCn2cnnn2)nn1	712547625	WNYPMRZUSLGUSR-UHFFFAOYSA-N	227.659	-0.254	50	10	BBGE	
C[C@@H](O)[C@H](O)CNS(=O)(=O)CCCCl	717373656	ADFUGIDZHCSBGC-RNFRBKRXSA-N	245.728	-0.724	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCO[C@@H](C)C1	721479533	HFDSNTRCOAVOQR-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
CO[C@H]1C[C@@H](Cn2nc(C)c(B(O)O)c2C)C1	721868351	QIKRUSKGZPUWPN-AOOOYVTPSA-N	238.096	-0.395	50	10	BBGE	
NC(=O)NN=Cc1cnn2cccnc12	755464372	PDKWCKFYEMMBQY-UHFFFAOYSA-N	204.193	-0.269	50	10	BBGE	
O=C(CO)NN=Cc1ccc(-n2cncn2)cc1	776781444	DFBOYRSLRAABOC-UHFFFAOYSA-N	245.242	-0.290	50	10	BBGE	
O=C(CO)NN=Cc1cc2n(n1)CCC2	853329405	IMGXULQCUZVZSB-UHFFFAOYSA-N	208.221	-0.728	50	10	BBGE	
CN1C[C@H](C(=O)NCCCSC#N)NC1=O	854367381	RLFFQFLMWMUUCJ-SSDOTTSWSA-N	242.304	-0.269	50	10	BBGE	
Cc1nnc(NNC(=O)COC(C)C)n1C	856050083	IIPDNDRQXZUXOJ-UHFFFAOYSA-N	227.268	-0.008	50	10	BBGE	
C=CC(=O)N(C)CC(=O)NN=c1cc[nH]cc1C	862499524	FFZVAVRTNHXBGY-UHFFFAOYSA-N	248.286	-0.101	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCC(=O)N1C	862501114	BBLVZCWCTLLYKV-JTQLQIEISA-N	248.286	-0.124	50	10	BBGE	
O=C(NCC(Cl)Cl)C1CS(=O)(=O)C1	868327805	OXYPYBYQVMQHRW-UHFFFAOYSA-N	246.115	-0.049	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@@H]1CCCCO1	908516352	AVVWPXIQEDDLLJ-MGQLQWOVSA-N	242.275	-0.360	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@]12CCCN(CC1)C2	910145582	BXOPQHUILFUYQP-PWSUYJOCSA-N	241.335	-0.184	50	10	BBGE	
CC(=O)NNC(=O)c1ncc(Cl)cn1	1135818375	OOPWNAQRZSVSPI-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1cc[nH]n1	1300693905	FEPAXDNGRORNAU-HFHMMWAZSA-N	248.242	-0.604	50	10	BBGE	
Cn1ccnc(NNC(=O)c2ccon2)c1=O	1306688054	OFOXGZHGQSAXLM-UHFFFAOYSA-N	235.203	-0.475	50	10	BBGE	
Cn1cccc(C(=O)NNc2cccnn2)c1=O	1320175638	RBVKWNQVCSLWLZ-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
Cn1nc(C(=O)NNc2nc[nH]n2)cc1Cl	1472574173	NZIJVWVDVAHKFK-UHFFFAOYSA-N	241.642	-0.052	50	10	BBGE	
Cc1cc(=NNC(=O)c2cnn(C)n2)cc[nH]1	1557606365	LDXMOWKCTWLMDN-UHFFFAOYSA-N	232.247	-0.303	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccnc(CO)c1	1583488750	KNVJKMMBUMMCRL-UHFFFAOYSA-N	238.247	-0.462	50	10	BBGE	
O=C(CCC(F)F)NNC(=O)c1cnn[nH]1	1585331779	HBFAQEJPASNBNU-UHFFFAOYSA-N	233.178	-0.389	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccnc(CO)c1	1637416258	ISCUIBAMFBNNHT-QMMMGPOBSA-N	239.275	-0.469	50	10	BBGE	
O=C(NCC#CCCl)C1CS(=O)(=O)C1	1884825959	VSZRXRWIESLMPP-UHFFFAOYSA-N	235.692	-0.611	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1	1887071814	KCMZTAYBOLSEOC-DSYKOEDSSA-N	237.708	-0.131	50	10	BBGE	
CNc1cc(B(O)O)cc(C(=O)O)c1C	1887507672	APBLASDVRHOHRK-UHFFFAOYSA-N	209.010	-0.585	50	10	BBGE	
CO[C@H]1COCCN(C[C@@H](O)CCl)C1	1893382883	UGSKKQMRTMIHOY-DTWKUNHWSA-N	223.700	-0.067	50	10	BBGE	
O=C(N[C@]1(CO)CCNC1)[C@@H]1C[C@H]1Cl	1893471013	YQGGUGLZBHACOW-ZXFLCMHBSA-N	218.684	-0.546	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCNC1=O	1893504598	JWPCRCARMWJYKO-INIHDHCDSA-N	216.624	-0.687	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1CF	1896799211	UWQWEGYYNCPIIK-XHNCKOQMSA-N	233.287	-0.471	50	10	BBGE	
CO[C@@H]1CN(C)C[C@H]1NC(=O)/C=C/C(=O)Cl	1897225703	CVFMGLZGBOBSEA-ATXJSMISSA-N	246.694	-0.247	50	10	BBGE	
CC[C@H](N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901349149	VFLPSVJFGPSNRZ-QMMMGPOBSA-N	249.336	-0.431	50	10	BBGE	
CC(C)=C(CN(C)S(=O)(=O)C1CC1)B(O)O	1901614929	CQLTZFJOLRRKIB-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CN(C)C(=O)CCN1CC[C@](C)(B(O)O)C1	1902528522	IHUZCHNQTGZWBX-JTQLQIEISA-N	228.101	-0.597	50	10	BBGE	
CCOCCOCCN1CC[C@H](B(O)O)C1	1902528915	KIKBFHGRQQSDCY-JTQLQIEISA-N	231.101	-0.412	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C[C@H]1C)C(=O)NN	1902716325	QRUBBRKPNHJWTH-FXPVBKGRSA-N	229.324	-0.152	50	10	BBGE	
COc1cc(OC)c([C@@H](N)B(O)O)cc1OC	1912278408	YSNFRSRHZGOUKM-SNVBAGLBSA-N	241.052	-0.276	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccccc2B(O)O)[C@H]1C	1914308846	NDUDUYMZOBZPCA-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1CC(O)C1	1914601493	QXKOKRLQUKQIEL-UHFFFAOYSA-N	240.263	-0.767	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CCOC2)C1	1915590662	QWFZOBKRLLPBCH-RKDXNWHRSA-N	225.292	-0.665	50	10	BBGE	
COCC1CN(Cc2cccc(B(O)O)c2)C1	1916306511	MANZRQJDZPNJSR-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917099752	BBFZDUHHALKJSD-GXSJLCMTSA-N	247.314	-0.203	50	10	BBGE	
CC1(C)C[C@@H]1CCCNC(=O)C(=O)NN	1927798288	RLBORIUOCPCZKG-ZETCQYMHSA-N	213.281	-0.081	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(CCCC(=O)NN)C2	1927930422	MGIAAPVDNUROEX-WPRPVWTQSA-N	213.281	-0.380	50	10	BBGE	
NC(=O)NNC(=O)CN1CCCCC1	1929596440	ANVNZLXMZSKQGZ-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
CSC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1933241576	VQOYEFUISVHUEX-HTRCEHHLSA-N	215.322	-0.340	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088307	MDBYBFQXOQBXCD-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)COCCn1cnc(C2CC2)n1	1936533622	ZVAFMBRBYPAKRW-UHFFFAOYSA-N	225.252	-0.838	50	10	BBGE	
COc1ccc(CN(C)CC(=O)NN)cn1	1939924861	PMDMZHDULJTQEN-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
O=C(O)[C@]1(C[C@@H](O)CCl)C[C@@H](O)CN1	1956249929	BKIKFFQCTMEIER-JKMUOGBPSA-N	223.656	-0.846	50	10	BBGE	
C[C@H](CCl)CN(CC(N)=O)CC(N)=O	1956255556	AIVZSMDKIFWQIE-ZCFIWIBFSA-N	221.688	-0.866	50	10	BBGE	
CC1(C)CN(c2nc(B(O)O)cs2)C1	1956964952	IQTCHJSFFGUAQJ-UHFFFAOYSA-N	212.083	-0.331	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@H]1F	1957419376	ZHNUTXCVCGDHPZ-PHDIDXHHSA-N	203.217	-0.675	50	10	BBGE	
N#CC1=CCN([C@H]2C[C@H](N)C[C@@H]2O)CC1	1960373902	YWIIHIOUOYKQPX-DCAQKATOSA-N	207.277	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H]2C[C@@H]21	1961509824	VZPASGRSMVVTCO-UYXSQOIJSA-N	211.265	-0.915	50	10	BBGE	
OB(O)c1cnccc1N1CCSCC1	1961695363	CGYZPSSFRAHUFV-UHFFFAOYSA-N	224.094	-0.685	50	10	BBGE	
CC(C)[C@@H](C)Oc1ncc(B(O)O)cn1	1961714112	VVKVPGWFGOMXPV-SSDOTTSWSA-N	210.042	-0.420	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nc(C)no1	1976741710	NYBWGUGVVZQDJG-SSDOTTSWSA-N	227.268	-0.422	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(C)(N(C)C)C1	1976832209	DTDXGUYSQHLKMQ-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CC2(CC2)CO1	1979380436	VIOGTZJXIVXVDV-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
CCN([C@H]1CCSC1)[C@@H](COC)C(=O)NN	1980768026	LDNAUDGDBVQPFA-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1CC[C@@H](Oc2ncncc2B(O)O)C1	1981423977	MDOLEHCSHJSVPL-JGVFFNPUSA-N	222.053	-0.276	50	10	BBGE	
C[C@]1(CCl)CN([C@@H]2CCO[C@H]2C(N)=O)C1=O	1982020391	FATAEGPKVNMUSQ-XSSZXYGBSA-N	246.694	-0.284	50	10	BBGE	
N#C[C@@H](Cl)CN1CC([C@H]2NC(=O)NC2=O)C1	1986664692	UOVGJXOXMUCXNU-RNFRBKRXSA-N	242.666	-0.743	50	10	BBGE	
CO[C@@H]1CN([C@H](C)C(=O)NN)CC(F)(F)C1	1986741747	SBGDYVLLKQNYFB-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)NNCCO)C12CCC2	1988758967	UPCXTTCXOMVVAN-IUCAKERBSA-N	228.292	-0.195	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1	1989170172	FTGGZJSXEIXEJB-CYOKLVMASA-N	218.065	-0.535	50	10	BBGE	
C[C@@H](N)CSC[C@H]1CCC[C@@H](C(=O)NN)O1	1990164381	MQWHWGBMHWTAOF-HLTSFMKQSA-N	247.364	-0.006	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@@H]2CCCO[C@H]21	1991330605	YIBUBZTULMUSIZ-DJLDLDEBSA-N	225.053	-0.904	50	10	BBGE	
COCC1(CNC(=O)/C=C/C(=O)Cl)CNC1	1991708994	CQRHUJYWNLJICS-NSCUHMNNSA-N	246.694	-0.340	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@@H]2C)n1	1993077262	PRMUZOKFFMUEKF-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
C[C@H](CN1CCOCCC12COC2)C(=O)NN	2001490949	RDVIRDFEDVVCNZ-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H]1N(c2ccncc2B(O)O)CCC1(F)F	2004917983	YWGSYCONURIMHK-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
OB(O)c1cnc(OC2CC(C(F)F)C2)nc1	2004928731	FVYDCKHGLDAHAS-UHFFFAOYSA-N	244.006	-0.421	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C2(CCCC2)C1	2006030807	SEEOZWMXOLYYLC-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](N2CC(C)(C)C2)C1	2007834102	FZIKFWMAYIHPHG-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
O=c1ccc(B(O)O)cn1C1CC(C2CC2)C1	2008840120	HPOHRUWIFDDOKE-UHFFFAOYSA-N	233.076	-0.111	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012898042	RFPWAEJCXLDLSX-RNLVFQAGSA-N	249.261	-0.686	50	10	BBGE	
N#CC1(O)CCN(CC2COCCOC2)CC1	2014457329	XOQFSBCXLCRKLD-UHFFFAOYSA-N	240.303	0.000	50	10	BBGE	
N#CC1=CCN(C(=O)C2=C[C@@H](O)[C@@H](N)C2)CC1	2014507038	YVKDITUUPKGFEM-WDEREUQCSA-N	233.271	-0.313	50	10	BBGE	
CO[C@H]1CC[C@H](N(C)CC(=O)NNC(C)=O)C1	2019175335	AVKKWXGBBIENQX-UWVGGRQHSA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2C[C@H](C1)O2	2021438415	WGKVYJUJQHPSGJ-PHIMTYICSA-N	233.076	-0.661	50	10	BBGE	
O=C(CC1(F)CCC1)N[C@H](CB(O)O)C(=O)O	2025192103	YTVKOMTULNYXPA-ZCFIWIBFSA-N	247.031	-0.689	50	10	BBGE	
OB(O)c1cnc(N2CCCC3(CCC3)C2)nc1	2052467336	PKXMQVBJYPYPMA-UHFFFAOYSA-N	247.107	-0.073	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2CN(C)C)c(B(O)O)c1	2052627647	OUUKOUTUVAKFDD-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
Cc1ccnnc1CN(C)CC1(C(=O)NN)CC1	2072625747	SAWNWNIFFNEJCA-UHFFFAOYSA-N	249.318	-0.013	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H](C2)O3)nc1	2077855456	MYADPGWRFCSYCX-PHIMTYICSA-N	248.286	-0.342	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1ccccc1B(O)O	2079008026	CWBKCFUAXYZFOL-SNVBAGLBSA-N	245.087	-0.102	50	10	BBGE	
O=S(=O)(CCl)Nc1nnc(Cl)nn1	2209172901	LJBPAYXIQODBEL-UHFFFAOYSA-N	244.063	-0.142	50	10	BBGE	
C=C(CN(C)CCc1cnn(C)c1)B(O)O	2210506510	PAIIAJVJPYPISA-UHFFFAOYSA-N	223.085	-0.537	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](F)C[C@@H](O)C1	2210694601	HDXGBARWCXUFKB-DTWKUNHWSA-N	233.287	-0.449	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1cccc(B(O)O)c1	2211133977	ICUZIPDXHYWDGH-MRVPVSSYSA-N	219.049	-0.513	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCOC2(CC2)C1	2215773215	RYRMPMNDIBOPCA-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
Cc1cnc(OC[C@H]2CC[C@@H]2N)cc1B(O)O	2217168835	YQCNEWUDCZURHJ-SCZZXKLOSA-N	236.080	-0.814	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CN1	2217176147	RYOFHUOCWQRLLO-RKDXNWHRSA-N	235.096	-0.829	50	10	BBGE	
Cc1cnc(N[C@H]2CCCNC2)cc1B(O)O	2217180189	QUSJRPKYKBCTMB-VIFPVBQESA-N	235.096	-0.766	50	10	BBGE	
CNCC1CC(Oc2cc(B(O)O)ccn2)C1	2217186442	KKXXQNPXYUJOMS-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CC[C@H](C)[C@H](CN)Oc1ccc(B(O)O)cn1	2217187695	CKXTVLAWHJEZEG-WPRPVWTQSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccc(=NCCCC(F)(F)F)[nH]c1	2217196447	FRMXUFGQGGCYFA-UHFFFAOYSA-N	248.013	-0.062	50	10	BBGE	
COC[C@@H]1CC[C@H]1Nc1ncccc1B(O)O	2217196980	WDXJRNHMJGGXTP-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1c1cc(B(O)O)ccn1	2217199007	JCVJFWUXMQXUPP-PSASIEDQSA-N	236.080	-0.889	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1nncn1C	2223632960	QCCFEDQBFVZMPY-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H](O)C[C@H]2C3)c1	2223636542	LBZIFKKOEHDPLU-IEBDPFPHSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CC2(CC2)CN1	2223645007	QPZVCKLPWDDPQA-SECBINFHSA-N	248.091	-0.718	50	10	BBGE	
OC[C@@]12CC[C@@H](CN1c1ccc(B(O)O)cn1)C2	2223672553	GQCAALHVNUAIBF-SKDRFNHKSA-N	248.091	-0.887	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@@H]1N(C)C	2223673586	GMWKTQPDOUOQNL-KOLCDFICSA-N	249.123	-0.852	50	10	BBGE	
CCn1cnc(CNc2cc(B(O)O)ccn2)c1	2223677019	IYJXOPXWMJVOBL-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(CF)C1	2241495370	JBILLITVXAPAPB-BQBZGAKWSA-N	201.006	-0.723	50	10	BBGE	
Cc1ccc(CNC(=O)C#CB(O)O)cc1	2243356618	KUGQVCCFECMINW-UHFFFAOYSA-N	217.033	-0.373	50	10	BBGE	
CC1(C)CN(C(=O)c2sccc2B(O)O)C1	2243362877	XSWARAGMYPUZHG-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
COC[C@H]1CC[C@@H]1NC(=O)C1(B(O)O)CC1	2243366089	XJEHDTDHQDHPCR-SFYZADRCSA-N	227.069	-0.465	50	10	BBGE	
O=C(NCCOCC1CC1)C1(B(O)O)CC1	2243397436	BESUOXCJLMHJPL-UHFFFAOYSA-N	227.069	-0.464	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)N1CCC1	2243397922	LKGWGXSVZFRUPO-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2243401224	OEZWRRJQEAVLSZ-SSDOTTSWSA-N	221.021	-0.735	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCC1	2243403946	GPWQYSMOHCJSKL-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
C#CCCCNC(=O)c1csc(B(O)O)c1	2243408370	LXVSZCMVYFTZOH-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N(C)C)c1	2243410619	FHQFYPITSYRSSZ-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
C=C(CS(=O)(=O)Nc1nc(C)co1)B(O)O	2243420502	UQPIZKNISZHUFI-UHFFFAOYSA-N	246.053	-0.707	50	10	BBGE	
Cc1c(NC(=O)CO)ccc(B(O)O)c1Cl	2243674235	GRPUFXDVLSBIAD-UHFFFAOYSA-N	243.455	-0.741	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2244001105	FRHMHBAKCOYKSD-VGMNWLOBSA-N	225.053	-0.737	50	10	BBGE	
CO[C@@H]1COC[C@H]1N1CCC(B(O)O)CC1	2244180534	OGFMAFFTIHIEGC-NXEZZACHSA-N	229.085	-0.661	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1cocc1B(O)O	2244205661	LXHNRYUULBICSO-UHFFFAOYSA-N	243.455	-0.541	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1COC2(COC2)C1	2244360283	MTMWNILMLNZZJC-LURJTMIESA-N	248.666	-0.391	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2247753964	BIZLPNKOEGDWQN-VIFPVBQESA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1NC(=O)C1(B(O)O)CC1	2247754958	OGRTVEAJTPZGIJ-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
COC(OC)[C@H](C)N(C)C(=O)C1(B(O)O)CC1	2247756221	MVTYQGVULQNQKU-ZETCQYMHSA-N	245.084	-0.541	50	10	BBGE	
CCC1CC(NC(=O)c2occc2B(O)O)C1	2247757448	QYAAEZKRNSLGAI-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@]12CCOC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247791648	OELWELBOXXPYDN-REIXXSIJSA-N	239.080	-0.465	50	10	BBGE	
CCCN(C)CCNC(=O)C1CC(B(O)O)C1	2247799604	FWUUZKNLTUPQTH-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
CN(CCn1ccnc1)C(=O)[C@H]1C[C@@H]1B(O)O	2247807147	HJKNOJMNVVCDIJ-IUCAKERBSA-N	237.068	-0.796	50	10	BBGE	
C[C@H]1CC[C@@H](CCN(C)C(=O)C#CB(O)O)O1	2247850097	JUFCGTUXXKBJCR-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
CC(C)N(C)CCCNC(=O)C1(B(O)O)CC1	2247877513	HQNABKLNPKKKJD-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CC(CO)C1	2247894481	HBVWZJKRKJGLBH-LRHSEUGZSA-N	241.096	-0.531	50	10	BBGE	
CCCONC(=O)Nc1ccccc1B(O)O	2247972583	HKJHABJHQYUMNB-UHFFFAOYSA-N	238.052	-0.171	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1cocc1B(O)O	2249422925	GRSKBAIYUFADMZ-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1ccoc1B(O)O	2255461043	BQMNYOLVYAALNH-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc([N+](=O)[O-])cc1O	2255474537	SIDRZTUUWFASMX-UHFFFAOYSA-N	249.975	-0.746	50	10	BBGE	
Cc1ccc(C(=O)N2CC(C#N)C2)c(B(O)O)c1	2255514584	KQKLNWWGCUQKOM-UHFFFAOYSA-N	244.059	-0.730	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)cn1)C(C)C	2255517774	FXEGDMKCLFFRPD-JTQLQIEISA-N	246.075	-0.851	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2nccnc2c1	2255676892	YMCXTAYAFHDEPF-UHFFFAOYSA-N	241.015	-0.416	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC=CCO1	2256614428	MWSANOLWQLNCKE-VIFPVBQESA-N	248.047	-0.955	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H](C)CC#N	2257487141	LAXGXMUWNKRRJG-QMMMGPOBSA-N	247.063	-0.898	50	10	BBGE	
O=C(Nc1ccc(F)cn1)c1cocc1B(O)O	2258132581	BPZXKCIIGXZASU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@]1(CO)C=CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298166008	MKKSUBUVMBIRLJ-UMNHJUIQSA-N	239.319	-0.375	50	10	BBGE	
C[C@H]1CCC[C@]1(O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369968	KIAOJOCEIQILMF-DKIAZLNASA-N	241.096	-0.483	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@@H]1C[C@H]1C(=O)NN	2299331340	JYGDPDBWOIFCND-VLEAKVRGSA-N	239.319	-0.376	50	10	BBGE	
COC[C@]12CCO[C@H]1CN(CCC(=O)NN)C2	2299719141	AGPVKZUTVLCEGV-GXSJLCMTSA-N	243.307	-0.896	50	10	BBGE	
CCCCCNC(=O)c1c(B(O)O)ncn1C	2300233997	VJZYBBSBHPJBBA-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H]2COC[C@@H]21	2300374169	SYWQKNASQUXVNI-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
CO[C@H]1C[C@@H]2C[C@H]1CN2CC(=O)NNC(C)=O	2302202503	AIPCPGPZIPLULP-GUBZILKMSA-N	241.291	-0.737	50	10	BBGE	
Cc1nc(N(C)C[C@@H]2CCO2)ccc1B(O)O	2302413308	UGIJJYYLIFOJRL-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@@H]1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	2302568028	RNPHNJNLVCLHIH-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)CN2CCCC2)C1	2303111572	KNDFCCCMPBPMEU-NSHDSACASA-N	240.112	-0.452	50	10	BBGE	
CC[C@@](C)(CN1CCC12CN(C)C2)C(=O)NN	2303420985	FTOBXCNHAVQUBW-NSHDSACASA-N	240.351	-0.218	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]1[C@@H]2CO)C(=O)NN	2303424361	QVFRAPAPGHXRNN-MIZYBKAJSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@@H]3C[C@H]2CO3)nc1	2312740466	WYWNFEUHABOFBJ-FXBDTBDDSA-N	249.079	-0.864	50	10	BBGE	
C=CC[C@@H](Oc1cc(B(O)O)ccn1)[C@@H]1CCN1	2314243599	OQBNTAIVAGKUAT-WDEREUQCSA-N	248.091	-0.553	50	10	BBGE	
Cc1nc(C)n(-c2ccc(C=O)c(B(O)O)c2)n1	2317309057	OUANSYRCBFAGJS-UHFFFAOYSA-N	245.047	-0.624	50	10	BBGE	
N[C@@H](CC[C@@H](Cl)[C@H](N)C(=O)O)C(=O)O	5411040	UZCHFKQDEKHHGI-WISUUJSJSA-N	224.644	-0.802	50	10	BBGE	
CN(CC(=O)Cl)[C@@H]1CCS(=O)(=O)C1	32021499	BBGCRQYZAXNJHJ-ZCFIWIBFSA-N	225.697	-0.129	50	10	BBGE	
O=S(=O)(O)C[C@H](O)CBr	34406523	RUHYPDTWURIZAR-GSVOUGTGSA-N	219.056	-0.370	50	10	BBGE	
O=C1COCC(=O)N1CCBr	41044910	CGVYUUXWZBHILJ-UHFFFAOYSA-N	222.038	-0.233	50	10	BBGE	
C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NN	82464275	NKGJMAOQTAZHJL-ZCFIWIBFSA-N	223.232	-0.457	50	10	BBGE	
NC[C@H](O)c1nnc(CBr)o1	83351663	LAUNVBMFIJTDKY-VKHMYHEASA-N	222.042	-0.043	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)CN	85308829	BJDDCUMZOXCWSM-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
Cc1cccc(CN(C)CC(=O)NN)n1	87333446	GKRJBJPKUQRJEW-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC[C@@H](N)C(C)C	133555744	SEISQRDQRVZOIX-SNVBAGLBSA-N	244.339	-0.541	50	10	BBGE	
COC(=O)C[C@H](Br)C(N)=O	168564963	OWBBBMXDUGNUSC-VKHMYHEASA-N	210.027	-0.202	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@@H]1CCCO1	199005362	RAKQSUZGEJHKLC-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
CCn1cc(Br)c(B(O)O)c1	206161539	HJSGCLOOJKTCNA-UHFFFAOYSA-N	217.859	-0.050	50	10	BBGE	
NNC(=O)[C@@H](c1ccccc1)N1CC[C@@H](O)C1	216311255	KDETZPWKOQHKFQ-GHMZBOCLSA-N	235.287	-0.216	50	10	BBGE	
CO[C@@H](C)COc1ccccc1B(O)O	228582836	URNBBPUWWVOQIF-QMMMGPOBSA-N	210.038	-0.220	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)[C@@H](C)Cl	230991146	KAZMCVPISVNZPU-RXMQYKEDSA-N	228.701	-0.721	50	10	BBGE	
COC[C@@H](OCCC(C)(C)OC)C(=O)NN	234704759	PPARDPQMVKVHRC-MRVPVSSYSA-N	234.296	-0.177	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	300979775	UCEFAHCQZSGDSX-YBSMEWOOSA-N	225.292	-0.933	50	10	BBGE	
OCCO[C@@H]1CNC[C@H]1Br	306902160	PQQWWIJYBOIJHY-PHDIDXHHSA-N	210.071	-0.269	50	10	BBGE	
Cn1ncc(COc2cccc(B(O)O)c2)n1	310119635	DIYQXYSQXSBION-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
Cn1nnnc1CNC(=O)CCBr	389301887	HZIVJHLAUVDQMY-UHFFFAOYSA-N	248.084	-0.389	50	10	BBGE	
CC(=O)NNC(=O)CN[C@@H](C)[C@H]1CCOC1	390512689	CAUYGFHSEBCCRC-CBAPKCEASA-N	229.280	-0.832	50	10	BBGE	
Nc1cc(B(O)O)c2ccsc2c1C(=O)O	396245743	NILPLEKXKPJFGR-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401553085	UESZFTTVNRUOJN-AEJSXWLSSA-N	229.324	-0.296	50	10	BBGE	
CN(C)C(=O)N1CCN(C[C@H](O)CCl)CC1	401694664	UDFRAYZZCYOZCB-SECBINFHSA-N	249.742	-0.115	50	10	BBGE	
C[C@@H](CN(CCCO)C1CC1)C(=O)NN	404255661	QZPWKMSBAYMQFM-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cc2)n[nH]1	405000325	JOHXIHKGBMUUMK-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CCN(C)C(=O)Nc1cccc(B(O)O)n1	405048019	BJHITACMYBZXMQ-UHFFFAOYSA-N	223.041	-0.755	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C#N)C1	693988252	WYXREUSFDKSPEA-RKDXNWHRSA-N	210.281	-0.154	50	10	BBGE	
CO[C@@H](Cn1nc(C)c(B(O)O)c1C)C(C)C	694276109	MCNVSQFJNGWUGD-JTQLQIEISA-N	240.112	-0.149	50	10	BBGE	
C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Cl	697200951	LKXITNPCNNCQRW-RITPCOANSA-N	229.671	-0.091	50	10	BBGE	
Cn1nnnc1CNCCOCCCl	697788516	RBWMLLDFYDYUJH-UHFFFAOYSA-N	219.676	-0.445	50	10	BBGE	
COCCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703425315	RKMDHLYDAMPUAY-YUMQZZPRSA-N	213.233	-0.061	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCc1ncno1	703426426	VQFYCNLKOBOHPN-RNFRBKRXSA-N	237.215	-0.472	50	10	BBGE	
NNC(=O)CCCN1CC(n2cccn2)C1	707400039	RHVIRNSRGKNPRP-UHFFFAOYSA-N	223.280	-0.490	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](CF)C1	711435377	PDIYPZCUNPOVTO-IUCAKERBSA-N	233.287	-0.327	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CF)C1)C(=O)NN	711448839	VVWBXWCOBMQOEI-YUMQZZPRSA-N	203.261	-0.096	50	10	BBGE	
C[S@@](=O)N1CCCc2cc(B(O)O)ccc21	712216424	HNVYUSXMHAKPCJ-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
C[C@H](NC(=O)NC(=O)CCl)c1cn(C)nn1	720609594	CFHULCVEAYLKGH-YFKPBYRVSA-N	245.670	-0.059	50	10	BBGE	
N#CC1(O)CCN(CC2CS(=O)(=O)C2)CC1	722775639	MBADTOFSVDYRKQ-UHFFFAOYSA-N	244.316	-0.619	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)c1cn[nH]c1	862467081	ORNKLGRZSJEQIT-UHFFFAOYSA-N	220.232	-0.029	50	10	BBGE	
C[S@@](=O)N1CCCc2c(B(O)O)cccc21	888082205	QFEODYWRGCJZIW-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
NNC(=O)c1ccc(NC(=S)NN)cc1	1088686390	VUDOQYVJUKUXFE-UHFFFAOYSA-N	225.277	-0.550	50	10	BBGE	
CC(=O)c1cn(C/C=C\C#N)c(=O)n(C)c1=O	1188980243	VMHNTIBKASYGHY-ARJAWSKDSA-N	233.227	-0.171	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cc2ccon2)cn1	1319277672	DJVIKLHUHHDMRH-UHFFFAOYSA-N	249.230	-0.588	50	10	BBGE	
CN(NC(=O)c1cc(Cl)no1)C(N)=O	1446343167	WWBPBHLZGVMAFJ-UHFFFAOYSA-N	218.600	-0.017	50	10	BBGE	
CNC(=O)NNC(=O)c1ccc(CN(C)C)o1	1597341018	MNUXOFDWFOSPAD-UHFFFAOYSA-N	240.263	-0.085	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CCC=CO1)c1cnn[nH]1	1627298191	DMLZVVRHAABAHO-ZETCQYMHSA-N	237.219	-0.742	50	10	BBGE	
Cn1ccnc1NC(=O)c1ccc(B(O)O)cc1	1630032188	WUZMYHFZISNVOF-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cccnn1	1638772122	IBJSNYWRCOFZFX-UHFFFAOYSA-N	205.181	-0.648	50	10	BBGE	
C[C@H](O)C(=O)NCCSS(C)(=O)=O	1643369629	HMFHACNEJGQDKB-YFKPBYRVSA-N	227.307	-0.824	50	10	BBGE	
O=C(NNc1ncccn1)N[C@@H]1COC(=O)C1	1675460884	CJGGGQHMFZGDQG-LURJTMIESA-N	237.219	-0.582	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)NN)COC1(C)C	1877605724	ZIPKJKXFMMLNFY-NTSWFWBYSA-N	203.242	-0.648	50	10	BBGE	
CN(C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	1880072263	PXHUFZFAGHKEJS-ZETCQYMHSA-N	247.295	-0.535	50	10	BBGE	
CN(N)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C	1880072735	ZTBLDFDHANSTBI-ZETCQYMHSA-N	247.295	-0.406	50	10	BBGE	
COC1(OC)CN(S(=O)(=O)CCl)C1	1883372282	LTUJCNIMPIEXNA-UHFFFAOYSA-N	229.685	-0.183	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@@H]1CCOC1	1886079769	SYRIVRZBDANTAD-BWZBUEFSSA-N	200.238	-0.582	50	10	BBGE	
Cc1nnsc1CN(C)CC(=O)NN	1886834091	GKUIFKYKOIRKHT-UHFFFAOYSA-N	215.282	-0.732	50	10	BBGE	
CS(=O)(=O)C[C@@H]1CN(C(=O)F)CCO1	1887187678	FWWWWBNYQFXHMS-LURJTMIESA-N	225.241	-0.179	50	10	BBGE	
COC(=O)c1cc(S)cc(B(O)O)c1	1887510908	ZICGBULFIZCUOJ-UHFFFAOYSA-N	212.035	-0.558	50	10	BBGE	
CN(C)NC(=O)[C@@]1(N)C[C@@H](O)C1(C)C	1890288151	WXKBBRQETFCTSA-MUWHJKNJSA-N	201.270	-0.933	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C1(Cl)CC1	1891517982	VPGOGKRSJJJMDC-LURJTMIESA-N	217.461	-0.167	50	10	BBGE	
C[C@H]1C[C@@H]1OCc1nc(B(O)O)cs1	1891824103	RXONDFALLFMOSA-WDSKDSINSA-N	213.067	-0.252	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1COC[C@@H]1O	1893417607	QISHYXFLYINVNR-WDSKDSINSA-N	219.624	-0.816	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(CC#N)CC#N	1901753125	QWEXUJFXOQOCJW-SECBINFHSA-N	223.280	-0.116	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CC1(O)CC1	1901763541	PASHQTSSXLFEAA-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1B(O)O	1902101242	FRACWQBKMIYUDQ-HLTSFMKQSA-N	229.085	-0.675	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250380	VYUCPZLDYJNJBX-DAWVFNFOSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2CCO[C@@H]2C1	1908720918	LNNXOLOCQDENSC-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)[C@H](C)C(=O)NN	1908889141	AOMYORAQDCYPML-NAKRPEOUSA-N	240.351	-0.221	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C[C@@H](C)C(=O)NN)C1=O	1912243432	YVYMBVZVJQYEOW-XLPZGREQSA-N	213.281	-0.131	50	10	BBGE	
C[C@@]1(CCl)CN(C2CN(C(N)=O)C2)C1=O	1917759232	NKLQYKRZDHAYBY-SECBINFHSA-N	231.683	-0.163	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC(C)(C)C1	1923154502	GPRLZDPGWCSUBE-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)C[C@@H](O)CN(CC(=O)NN)C1	1923156813	ZWYCKNZQIVJOPP-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
OB(O)CN=c1[nH]cncc1Br	1923813804	ZUUMILUGOMADKZ-UHFFFAOYSA-N	231.846	-0.915	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](N=c2[nH]cc[nH]c2=O)C1	1928756234	SDYKEVAEJGBYES-BQBZGAKWSA-N	228.683	-0.475	50	10	BBGE	
Cn1nnnc1CN1C[C@](C)(CCl)C1=O	1931729804	LXNSLEYQWGFWJI-QMMMGPOBSA-N	229.671	-0.203	50	10	BBGE	
OC[C@@H]1COCCN(C[C@@H](O)CCl)C1	1933629370	DJVOJCAJWHHYHM-BDAKNGLRSA-N	223.700	-0.473	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](CO)C(F)(F)C1	1937078270	CBDKKSAXARQIKI-ZETCQYMHSA-N	237.250	-0.684	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)Cn2cncn2)C1	1937194680	SSSKCZJVLIVLME-JGVFFNPUSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)CCCN1CC2(CC=CCO2)C1	1938348306	RNHPQZOXRTWOOY-UHFFFAOYSA-N	225.292	-0.213	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCCO[C@@H]1CCOC1	1940244648	GJEYVARRJABCTP-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
C=C1CON(Cc2ccc(B(O)O)cc2F)C1	1944604818	XWJXYRLFWIVGTD-UHFFFAOYSA-N	237.039	-0.191	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]3COC[C@H]32)CC1	1945911997	FTKIQEUCQNFLBA-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2C[C@H](CO)CO2)CC1	1949816689	GYGYRWBKSZAAIW-GHMZBOCLSA-N	240.303	-0.266	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@H](O)C#N)n1C	1953052516	XSMKMHOMEQHVGJ-RKDXNWHRSA-N	223.232	-0.304	50	10	BBGE	
CC(C)(F)CCCNC(=O)C(=O)NN	1955769070	MXRFOYWXIOJUPI-UHFFFAOYSA-N	205.233	-0.379	50	10	BBGE	
NNC(=O)N1CCO[C@]2(CCOC2)C1	1956611753	QSXAWLDGSVYAQL-MRVPVSSYSA-N	201.226	-0.939	50	10	BBGE	
NNC(=O)CCN1CCCC[C@H](O)C1	1956710838	BJMDPXWCNXLKOX-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
CC[C@H](O[C@@H]1CO[C@H](C)C1)C(=O)NN	1956931211	BQVAPFGYGDJDMB-CSMHCCOUSA-N	202.254	-0.051	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCO[C@H]1C(N)=O	1957175193	LCTQIJCHTHPUKK-KVQBGUIXSA-N	220.656	-0.627	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@@H](C)C(=O)NN)C2	1960286398	IPGULISWSQGPPI-OYNCUSHFSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCC(F)(F)[C@@H]21	1961392785	ZMZGLPCZNLPLPZ-VAYJURFESA-N	219.191	-0.864	50	10	BBGE	
CCN(C[C@H](O)CCl)[C@@H]1CC(=O)NC1=O	1961459204	ZXHVRMOVGRCHRP-RNFRBKRXSA-N	234.683	-0.677	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CCO2)C1	1961519728	KWWCCMKKMPXVJF-YUMQZZPRSA-N	211.265	-0.913	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)N1CC[C@@H](B(O)O)C1	1967588476	TXDHCLMOBUYBPX-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(CCCC(=O)NN)C1	1976441975	SDGJLCUUSMHQBA-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C2(CCC2)C1	1978833139	ZYAJFMZQSWCETK-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1CC(=O)N(CC(F)(F)C(=O)NN)[C@@H]1C	1981162658	HXXJVXNIGIPOBS-NTSWFWBYSA-N	235.234	-0.132	50	10	BBGE	
CCCOCCOc1ccncc1B(O)O	1981429377	CVPYGIIQXVWYCU-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CCN(c1ncnc(C)c1B(O)O)C(C)C	1981445159	DHOUGBIFNZZVIN-UHFFFAOYSA-N	223.085	-0.300	50	10	BBGE	
CCON(CC)c1ncc(B(O)O)cc1F	1981469495	TXISMPVKLWHJKK-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCSC1	1990776630	NHTRSBZXMXPOAW-SECBINFHSA-N	245.348	-0.019	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](C(F)(F)CO)C1	1991992410	RHXZSEYUMBGKOH-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
C=C(CN1CCCC(C)(C)S1(=O)=O)B(O)O	1992160574	YHOFXCNAVGEAKC-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CC1(C)CC[C@@H]1Oc1ncc(B(O)O)cn1	1994637337	KVPDNYXOUMEWHO-QMMMGPOBSA-N	222.053	-0.276	50	10	BBGE	
COCCOC1CCN([C@@H](C)C(=O)NN)CC1	1996866440	BUHLKJXVOFPTRN-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2CC(F)(F)C[C@H]2C1	1997627029	BNHRLCSPNFCPEU-PHDIDXHHSA-N	247.245	-0.084	50	10	BBGE	
CN(c1ccncc1B(O)O)c1ccnn1C	2005141109	QOGDMEJRECDZTF-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1F)C1COC1	2007607304	NAUHCSSBCBMGKK-UHFFFAOYSA-N	239.011	-0.910	50	10	BBGE	
CC(C)(C)n1ccnc1CNC(=O)C(=O)NN	2015658139	CWBLSUQZBWEKKK-UHFFFAOYSA-N	239.279	-0.756	50	10	BBGE	
COCCN(C)C1CN([C@@H](C)CC(=O)NN)C1	2017466968	RFVGIULMDZFCRT-VIFPVBQESA-N	244.339	-0.983	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](N3CCC3)C2)nc1	2052469580	SIOPPGZEPUJXSR-NSHDSACASA-N	247.107	-0.954	50	10	BBGE	
COC[C@@]12C[C@H]1CN(c1ccncc1B(O)O)C2	2052493608	DNIDLGFRGGIFAW-CABZTGNLSA-N	248.091	-0.766	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2211377633	MXZLRMUNLJJQON-FSDSQADBSA-N	229.041	-0.925	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)C1(N)CC1	2212612298	JPMLBMNBCFMSJO-ZETCQYMHSA-N	222.053	-0.980	50	10	BBGE	
OB(O)c1cnc(=NCCCC2CC2)[nH]c1	2212612865	PRQMNMBEQCSNTG-UHFFFAOYSA-N	221.069	-0.820	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1C[C@H]1CC[C@H]1C(=O)NN	2215778264	YGKXTGLHINSSMN-CHWFTXMASA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN(CCO)CC2CC2)CCC1	2216535093	WDDPPOKGQBMSJH-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
CC(C)[C@@H](Oc1ncccc1B(O)O)[C@H](C)N	2217171626	FHXFQXRBOCWEQY-WCBMZHEXSA-N	238.096	-0.488	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Nc1cc(B(O)O)ccn1	2217175571	KSMCQIATRFPXLP-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
CN(Cc1ccno1)c1ncccc1B(O)O	2217183937	PCVYSROKVNZKEC-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
Cn1nccc1CNc1ccc(B(O)O)cn1	2217196480	GGTCFCQPZSJXRU-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
OCCC1(Nc2ccc(B(O)O)cn2)CCC1	2217196701	HYNIZBYAPQQZQB-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
CC[C@H](CN(C)c1cc(B(O)O)ccn1)OC	2217200415	SRSMGYUDHSOUMD-SNVBAGLBSA-N	238.096	-0.377	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCNC1	2223629606	VRBHPSLYBDEVPN-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
CC[C@H]1CC[C@H](Nc2cc(B(O)O)ccn2)CN1	2223635646	ZVYOKRLZDJMXKS-QWRGUYRKSA-N	249.123	-0.296	50	10	BBGE	
N=c1ccc(CNc2cc(B(O)O)ccn2)c[nH]1	2223644597	LNITZCGVLKUGCN-UHFFFAOYSA-N	244.063	-0.819	50	10	BBGE	
Cc1cnc(N(C)Cc2ccon2)cc1B(O)O	2223644736	NADAKIGBADXWHY-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2c1cc(B(O)O)ccn1	2223670115	SUWXPNKVXCGKAJ-WDEREUQCSA-N	247.107	-0.956	50	10	BBGE	
N[C@@H]1CC[C@@H](CCN=c2cc(B(O)O)cc[nH]2)C1	2223675976	VAWBBVVHRFECBR-GXSJLCMTSA-N	249.123	-0.887	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@H]1C[C@H]1Cl	2242280695	MODCTYHLVYGCCA-NKWVEPMBSA-N	217.652	-0.914	50	10	BBGE	
C=C(COCCCS(C)(=O)=O)B(O)O	2242464984	MDWRTTQPBSCTHA-UHFFFAOYSA-N	222.071	-0.994	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1nscc1B(O)O	2243349515	MQEYMNCMBYATFM-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
CCC[C@@H](COC)NC(=O)C1(B(O)O)CC1	2243365740	RHOBKJAZYIJYRU-QMMMGPOBSA-N	229.085	-0.075	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cn1	2243375592	VXHKCWYAZDAIEW-NSCUHMNNSA-N	220.037	-0.933	50	10	BBGE	
C#C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243382412	NZFVRKOVOYDLES-IDKOKCKLSA-N	221.065	-0.279	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1C[C@@H]1B(O)O	2243392498	UTZNOVSJOWIWSN-YHAQHVPASA-N	221.065	-0.380	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)[C@H]1C[C@@H]1B(O)O	2243397152	WLXQYAYUFKZDRY-YUMQZZPRSA-N	223.041	-0.769	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC12CCC2	2243401100	MCNJOCCPRUHXBZ-SECBINFHSA-N	221.065	-0.302	50	10	BBGE	
CC(C)c1cc(NC(=O)C#CB(O)O)on1	2243401709	VVZJSXBJJNIBQZ-UHFFFAOYSA-N	222.009	-0.248	50	10	BBGE	
CC1(C)CCN1C(=O)c1occc1B(O)O	2243411591	WUMPJFDHRHTFDQ-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CN(CC[S@@](C)=O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414908	KKPJXDVODJOICU-WLOPVIGXSA-N	247.125	-0.924	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC2(CCCO2)C1	2243426755	LLBWGIMEJZFEFB-SFYZADRCSA-N	225.053	-0.759	50	10	BBGE	
OB(O)C1CCN(CCn2cccn2)CC1	2244176766	JZJPWIIMWOXRLS-UHFFFAOYSA-N	223.085	-0.178	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)C1(B(O)O)CC1	2245155535	OCRHXJCRLKBLAZ-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1ccncc1B(O)O	2247722383	MAYRYEULKSJXAF-MRVPVSSYSA-N	236.080	-0.463	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247733088	MCUUGLNPAGOQRO-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247737190	DNBYNXNTKWOQFI-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2247737295	FNHNRJBUJRUWNR-ZETCQYMHSA-N	237.064	-0.038	50	10	BBGE	
O=C(NC[C@@H]1OCC[C@@H]1F)C1(B(O)O)CCC1	2247756059	KXTPKBVATYAXGF-YUMQZZPRSA-N	245.059	-0.373	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1cc(C)c(B(O)O)o1	2247789560	XZCJQRHFNBPOHB-HTQZYQBOSA-N	237.064	-0.204	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(C)c(B(O)O)o1	2247792371	UQRHQXUVKIBKSC-QMMMGPOBSA-N	237.064	-0.086	50	10	BBGE	
CC1(C)C[C@H](N)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247803370	ASWNWWPTLJDJOY-YIZRAAEISA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247806928	OZRWUGWLXMTKLL-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CCC[C@@H](C)CNC(=O)c1c[nH]nc1B(O)O	2247808675	LTEIOTJQHJQWQN-SSDOTTSWSA-N	239.084	-0.745	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2247809379	YXNKVIXAIQDDRV-UTINFBMNSA-N	241.096	-0.267	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2247847739	AZFAZMAECSPHHX-DCAQKATOSA-N	235.092	-0.104	50	10	BBGE	
CC[C@H](NC(=O)C#CB(O)O)[C@H]1CCCOC1	2247851644	HTRGXJJXIKYTMY-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2N1C(=O)C1(B(O)O)CCC1	2247877275	FJQNFNJIEVSACZ-JGVFFNPUSA-N	237.064	-0.079	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1[C@@H]2CNC[C@@H]12	2247877470	HJYBARGTEFZADW-HTQZYQBOSA-N	238.096	-0.940	50	10	BBGE	
CN(C[C@H]1CCC[C@H]1O)C(=O)C1(B(O)O)CC1	2247879980	XCIRSBREFGRQCT-RKDXNWHRSA-N	241.096	-0.387	50	10	BBGE	
NCC1(F)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247886390	BFHSACAMJSRAFV-YUMQZZPRSA-N	244.075	-0.861	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CCN	2247886416	BIYCHONMOBOENV-RGOKHQFPSA-N	240.112	-0.707	50	10	BBGE	
O=C(NC1CC([C@H](F)CO)C1)[C@H]1C[C@@H]1B(O)O	2247887465	OLCVNHJFHYWBJQ-VHHQKCPSSA-N	245.059	-0.926	50	10	BBGE	
CC(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1=O	2247898524	FGLGVPJSYLROMH-CIUDSAMLSA-N	239.080	-0.120	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2(CCO2)CC1	2247899053	KBRUCOOQPPEMNO-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1ccccc1B(O)O	2247947299	UKVIRWKKFDOWMY-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H](O)c1ccccc1	2248429010	HZRDISDHZWYLAD-JTQLQIEISA-N	235.048	-0.596	50	10	BBGE	
C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248574135	PADWWWQFXHDDRE-CSMHCCOUSA-N	241.052	-0.615	50	10	BBGE	
CN(CCCCC(=O)O)C(=O)[C@@H]1C[C@@H]1B(O)O	2248584886	CRGKTWHGWRVQJQ-SFYZADRCSA-N	243.068	-0.437	50	10	BBGE	
CC1=CCN(C(=O)c2cocc2B(O)O)CC1	2249412057	UQGFAXPMNGLFNE-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H]1CCO[C@H]1CC(=O)NCCC#CB(O)O	2250004006	FJXZGMHPMKTRGX-UWVGGRQHSA-N	239.080	-0.677	50	10	BBGE	
CCCN(C[C@H](C)O)c1cc(B(O)O)ccn1	2250547707	HFCBERYWIYBIRK-VIFPVBQESA-N	238.096	-0.641	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCC[C@H]2CF)nc1	2251074890	UBOIPDMYURFUAZ-IONNQARKSA-N	239.059	-0.294	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	2255462104	QHSGRIWYDKVNKZ-OBBGECFZSA-N	247.103	-0.057	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1ccc(B(O)O)o1	2255462502	WFSDSSAWXCCTNR-YIZRAAEISA-N	249.075	-0.122	50	10	BBGE	
O=C(Nn1cccc1)c1cccc(F)c1B(O)O	2255500079	GYPCTBNPVANDGF-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1cncc(B(O)O)c1	2255516057	GVPMMRSTOUCSDP-LLVKDONJSA-N	246.075	-0.400	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ccc(B(O)O)cn1	2255519550	YQAFVYIOPACLPI-QMMMGPOBSA-N	247.063	-0.864	50	10	BBGE	
C[C@@]12CC[C@@H](CN1C(=O)c1n[nH]cc1B(O)O)C2	2255546155	AYBLWSHXNSDOCV-HQJQHLMTSA-N	249.079	-0.896	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2c[nH]nc2B(O)O)C1	2255554091	HYVKRSBSXMDFSE-SSDOTTSWSA-N	249.079	-0.872	50	10	BBGE	
Cc1ccncc1NC(=O)c1c[nH]nc1B(O)O	2255565244	SYYFLEYYVOYDDT-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
CCn1ncc(B(O)O)c1C(=O)N[C@@H]1C=CCC1	2255594357	CBHDOBHQMGFIPP-MRVPVSSYSA-N	249.079	-0.969	50	10	BBGE	
COc1cc(CNC(=O)C#CB(O)O)ccc1O	2255671347	QCNJTXTYVRITGS-UHFFFAOYSA-N	249.031	-0.968	50	10	BBGE	
O=C(N[C@]12CCCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255671736	WGURKOSEMMVWKG-PELKAZGASA-N	248.091	-0.243	50	10	BBGE	
C#CCN(C(=O)c1ccoc1B(O)O)C(C)(C)C	2255716396	QWYYFOUQCZDQAA-UHFFFAOYSA-N	249.075	-0.167	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]1CC1CC1	2258126471	FMXRYUJSABIEON-SECBINFHSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]12)c1cocc1B(O)O	2258127180	IILGWCLSJGNTQC-HRDYMLBCSA-N	249.075	-0.265	50	10	BBGE	
C#CC12CC(CCN1c1ccc(B(O)O)cn1)C2	2260233223	JLXUHFFDNMNZEP-UHFFFAOYSA-N	242.087	-0.247	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2298368727	UWEAUCBVGARXRA-YIZRAAEISA-N	240.112	-0.504	50	10	BBGE	
CN1CC[C@@H]1COCc1nc(C(=O)NN)co1	2299040069	LLWLLCSXDNQSQO-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1[C@](C)(O)C2	2301479024	MOMFBYUQTPAWLP-YXZBHFDYSA-N	241.335	-0.154	50	10	BBGE	
C[C@]1(CN2CC[C@@](C)(B(O)O)C2)COCCO1	2303157036	FQEZELOYQWKPCI-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)C1CNC1	2317212028	QDFKBFQYOSMFIJ-QMMMGPOBSA-N	246.075	-0.775	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)c2ccncc2C1=O	2328518667	IWLZGULFXIDKMV-LURJTMIESA-N	248.242	-0.554	50	10	BBGE	
CCC[C@](C)(NCC(=O)NNC(C)=O)C(=O)O	36807854	JPIIPZMGIXBGMF-JTQLQIEISA-N	245.279	-0.613	50	10	BBGE	
O=c1[nH]c(=O)n(COCCCl)cc1F	39389829	CVBOLRYRLOKWSW-UHFFFAOYSA-N	222.603	-0.111	50	10	BBGE	
O=C(C(Cl)Cl)N(CCO)CCO	59220264	PMXZRZWRZLYYNS-UHFFFAOYSA-N	216.064	-0.397	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1CCCS1	83591041	JPCYTQJRXBRNRQ-BYPYZUCNSA-N	205.308	-0.254	50	10	BBGE	
Cc1cc(=O)n(CCCCC(=O)NN)cn1	84691045	BTLIAGIWYLAVCB-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
NNC(=O)c1cccc(CN2CCNCC2)c1	110587952	DYCYESQFXCHWHO-UHFFFAOYSA-N	234.303	-0.305	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)[C@@H]1CCOC1	161690619	FAOCZQVASNVQKJ-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CC1(O)CCOCC1	162492910	VHRJNOZNYHHRRM-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
Cn1ncc2c(=O)n(C[C@H](O)CCl)nnc21	163078198	DEPSXHRCUSXCSV-RXMQYKEDSA-N	243.654	-0.875	50	10	BBGE	
Cc1cn(CCCCB(O)O)c(=O)[nH]c1=O	195760390	VZGWYCNZNNFHHV-UHFFFAOYSA-N	226.041	-0.902	50	10	BBGE	
C=C(C)C(=O)OCCC[Si](O)(O)O	196392577	IEHPAAVNVAOMQP-UHFFFAOYSA-N	206.270	-0.588	50	10	BBGE	
CN(C)CCCc1cc(B(O)O)ccn1	204267781	DAXAZWRKEWQHON-UHFFFAOYSA-N	208.070	-0.744	50	10	BBGE	
CC[C@H](C)NNC(=O)CCCNC(N)=O	238279782	PYPJSUZBJOEMSH-ZETCQYMHSA-N	216.285	-0.146	50	10	BBGE	
CN(C)C(=C/C=C(/C#N)C(N)=O)N(C)C	238295240	DDNMBBUWXXXIGZ-YVMONPNESA-N	208.265	-0.114	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1CC(O)C2)C(=O)NN	251090941	KFBORZVGJURRKC-VGMNWLOBSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)O2	252600028	LFHHZBLCXGKBKY-KYXWUPHJSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1CN(CC(=O)NNc2ccccn2)C[C@H]1N	300092871	VHZOELUESSLSKS-NXEZZACHSA-N	249.318	-0.196	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@H](O)C1	307437106	UMUOOMGEAHQNPJ-HTQZYQBOSA-N	204.657	-0.190	50	10	BBGE	
O=C(O)[C@H](O)[C@@H](Cl)[C@H](O)CCl	307663223	XAHWGQOCEBZFQN-FLRLBIABSA-N	203.021	-0.361	50	10	BBGE	
C[C@H](O)CN(CCO)C[C@@H](O)CCl	308142269	LZHDMXNJZIYMGY-YUMQZZPRSA-N	211.689	-0.739	50	10	BBGE	
CN1CC[C@@]2(CCN(CCC(=O)NN)C2)C1	309359357	OLVMFWHMHDGCLS-LLVKDONJSA-N	226.324	-0.606	50	10	BBGE	
NC(=O)NN=C(CO)C1(O)CCCC1	383926024	QZQQDJVPGFPZQA-UHFFFAOYSA-N	201.226	-0.692	50	10	BBGE	
CCC1(O)CN(c2nc(CCl)nc(=N)[nH]2)C1	384059005	KYYCOZWDXOIYCJ-UHFFFAOYSA-N	243.698	-0.016	50	10	BBGE	
COC(=O)N1CCN(C[C@H](O)CCl)CC1	387086006	FWJQPMZLQUWPET-MRVPVSSYSA-N	236.699	-0.030	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)CC1	395813364	MPFLWHWNJTZKQW-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CN1CCC2(CN(C)C2)C1)C(=O)NN	398756980	UELNCJYYHNWRJO-VIFPVBQESA-N	226.324	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC[S@](C)=O	399928147	RIGFVEZUYHCARC-FWZFKDBCSA-N	235.353	-0.689	50	10	BBGE	
O=C(CC1CC1)NCc1ccc(B(O)O)cc1	404933284	GABKQHYPOKMTGT-UHFFFAOYSA-N	233.076	-0.217	50	10	BBGE	
CCOCC(=O)Nc1ccc(B(O)O)cc1	404991494	CHLUTFKQQBOSCU-UHFFFAOYSA-N	223.037	-0.659	50	10	BBGE	
C[C@]1(C(=O)Nc2ccc(B(O)O)cc2)CCCO1	404999552	KKLBFNGIQCMFKE-GFCCVEGCSA-N	249.075	-0.126	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C	584991593	CYDUETJWOARJIO-DTWKUNHWSA-N	233.076	-0.153	50	10	BBGE	
Cc1nn(C[C@@H]2CC2(F)F)c(C)c1B(O)O	694278351	ZUPDTNRLNQWHOD-ZETCQYMHSA-N	230.023	-0.165	50	10	BBGE	
CN(Cc1nn[nH]n1)S(=O)(=O)CCCl	706744983	RGEBMIPOQLTIRL-UHFFFAOYSA-N	239.688	-0.800	50	10	BBGE	
CC[C@@]1(C)COCCN1C(=O)C(=O)NN	707279472	UFKGJSLWMJYAEV-VIFPVBQESA-N	215.253	-0.996	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@H]1C(C)(C)O	707559583	VYBGXIMVHXLSOT-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CN1CCO[C@@H](C2CC2)C1)C(=O)NN	709908343	GGGBWGMSHUNLBZ-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
COCCC(=O)N1CCc2ccc(B(O)O)cc21	712958472	XSJGZQTVYUYVRN-UHFFFAOYSA-N	249.075	-0.708	50	10	BBGE	
CC(C)(C)C(=O)NCc1ncc(B(O)O)s1	714704524	NPPJLPRPJDRARS-UHFFFAOYSA-N	242.109	-0.515	50	10	BBGE	
NNC(=O)CN1CCC[C@](O)(C(F)(F)F)C1	718913980	YWPXDZFQCQFYBE-SSDOTTSWSA-N	241.213	-0.635	50	10	BBGE	
Cn1cccc1C=NNC(=O)[C@H]1COCCO1	745215028	WYUNQLFCXLPUQT-SNVBAGLBSA-N	237.259	-0.109	50	10	BBGE	
CC(=O)C(C)(C)CCC(=O)NNC(=O)CO	753445940	WGGPODZPXQFPLL-UHFFFAOYSA-N	230.264	-0.479	50	10	BBGE	
COC(=O)CNC(=O)NN=C1CO[C@@H](C)[C@H]1C	844590678	UADCYIYUKFNYAU-RQJHMYQMSA-N	243.263	-0.131	50	10	BBGE	
O=C(Cn1ncnn1)NNC(=O)C1CCCC1	1136086444	VYMHXWXBFIRRLL-UHFFFAOYSA-N	238.251	-0.989	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1cnn(C)c1	1354033784	OSDNSOJARWHWKJ-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@]1(F)CCOC1	1457835678	KGHAGDSICYHETR-SSDOTTSWSA-N	215.188	-0.624	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cccc[n+]1[O-]	1566762936	ZPJTURMVIPBLAH-UHFFFAOYSA-N	238.247	-0.374	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2nc[nH]n2)cn1	1611411550	NIAWOFRTOVTHNW-UHFFFAOYSA-N	247.218	-0.945	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1ncncc1F	1636639650	JFRCZUPXRVVLJJ-VIFPVBQESA-N	226.211	-0.004	50	10	BBGE	
CCn1cc(C(=O)C(=O)NNC(=O)OC)cn1	1638068476	LLDSWPHXRJZMKA-UHFFFAOYSA-N	240.219	-0.527	50	10	BBGE	
NC(=O)NNC(=O)c1c[nH]nc1Br	1883049801	LJTUGFDTDNUIIE-UHFFFAOYSA-N	248.040	-0.515	50	10	BBGE	
NS(=O)(=O)c1n[nH]c([C@@H]2C[C@H]2Cl)n1	1883635273	VAUQDZBGRAMPHE-PWNYCUMCSA-N	222.657	-0.453	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1C[C@H](O)C1	1885274922	PYBVYCPZNSTBHA-ZKCHVHJHSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1886137006	CNYWQNFKJMIZGP-CSMHCCOUSA-N	221.684	-0.185	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C(=O)F	1887188416	PQHLGVNSOWRQDZ-UHFFFAOYSA-N	217.030	-0.051	50	10	BBGE	
CCOC[C@H]1CCC[C@H](C(=O)NN)O1	1890884199	CIYQLDLFDHQLMH-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CC(C)(C)OC(=O)N(CCO)CCC(=O)NN	1891642538	PYSHSGLZSJQUEU-UHFFFAOYSA-N	247.295	-0.404	50	10	BBGE	
CN(CC[C@H]1CCOC1)CC(=O)NN	1892656125	SRAMGNDTGAUMIO-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[S@](=O)(CCN)=NC(=O)C=CC(=O)Cl	1893405360	NTRFDDOBSCYCKS-AWEZNQCLSA-N	238.696	-0.109	50	10	BBGE	
C[C@H](NC(=O)C=CC(=O)Cl)[C@H](O)CO	1893418071	VYFTXAIWVLYKRU-NTSWFWBYSA-N	221.640	-0.834	50	10	BBGE	
O=C(O)CN(CCO)C(=O)[C@H]1C[C@@H]1Cl	1893470562	UTKJJRMUWVHFQV-WDSKDSINSA-N	221.640	-0.481	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893475368	SPYPTWIYZWTHMQ-FSIIMWSLSA-N	221.640	-0.436	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(=O)NN	1896280073	PIUZDZMGRAPNKC-UTLUCORTSA-N	226.324	-0.468	50	10	BBGE	
O[C@@H]1COC2(CN(CC3CC(Cl)C3)C2)[C@@H]1O	1897225543	BSDLSXDICGTHOK-YDYPAMBWSA-N	247.722	-0.190	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cnsc1B(O)O	1900442493	LUZHKQHLVQQUNT-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
C[C@H](CO)N(C)CCC[C@@H]1C[C@H]1C(=O)NN	1900508078	XUWVYZXEISGKRP-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H]1C[C@]1(N)C(=O)NN(C)S(=O)(=O)C1CC1	1901341063	OKJKOMCPXCWSND-HZGVNTEJSA-N	247.320	-0.821	50	10	BBGE	
CN[C@H](C)CC(=O)NN(C)S(=O)(=O)C1CC1	1901342248	JBEHKDOZAVIWPJ-SSDOTTSWSA-N	249.336	-0.560	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C1(N)CCC1	1901376185	XNFIIYALWNCCPM-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
CCS(=O)(=O)CCN1CC[C@@](C)(B(O)O)C1	1902517782	LNKBUSDOZCJYNT-SECBINFHSA-N	249.141	-0.640	50	10	BBGE	
CN(CC(=O)NN)C1(CCO)CCC1	1905550339	ITSAFXDPYVPRIB-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
COc1cc([C@H](N)B(O)O)cc(OC)c1OC	1912278439	ZZFSKCVHZFBTCB-JTQLQIEISA-N	241.052	-0.276	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)S(C)(=O)=O	1913517169	BXCRSEVADFYWLV-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
NNC(=O)C1(CN=S2(=O)CCOCC2)CC1	1913868181	UMKMOEGFKDAKBY-UHFFFAOYSA-N	247.320	-0.745	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN=S1(=O)CCC1	1913871559	LBKCDEOCEIHBCC-NKWVEPMBSA-N	217.294	-0.516	50	10	BBGE	
COC[C@@H](C)C(=O)NNC(=O)C(F)(F)F	1923393143	KPPBYVJYYHVUQK-SCSAIBSYSA-N	228.170	-0.021	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCCC1=O	1927912618	YWBLURDNHMFTSQ-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H]1F	1932370408	AKKAYGXDMPBQRS-YUMQZZPRSA-N	219.260	-0.717	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CC1(F)F	1933033561	ZMKIUULHJYCUGF-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
NNC(=O)C(F)(F)OC[C@H]1COCCO1	1933319832	MKGZQCRQTCFIGB-RXMQYKEDSA-N	226.179	-0.999	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1COC1	1933413398	RETHKGASYSYSMD-HTQZYQBOSA-N	211.217	-0.451	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)CC(C)(C)O	1936094263	LPWGFCDIQSSIIN-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CN1C(C)(C)[C@@]2(CC(=O)OC2=O)CS1(=O)=O	1938268231	PIVIKQUFRQWBIZ-VIFPVBQESA-N	247.272	-0.500	50	10	BBGE	
C[C@H](CN1CC[C@@H](CO)C1(C)C)C(=O)NN	1938475803	WWVJTZUHEJZYNE-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@@]12COC[C@H]1C2	1940891483	LTRSGIFNTYFFPW-APPZFPTMSA-N	249.261	-0.420	50	10	BBGE	
CN(Cc1cccnn1)CC(F)(F)C(=O)NN	1940893441	IXICOHASOAJUDU-UHFFFAOYSA-N	245.233	-0.466	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCn2ccnc2C1	1941087241	AXTLWEFOGQUPAX-DTWKUNHWSA-N	235.291	-0.675	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](C2CC2)CC1=O	1941088874	HGAPCAMAUZFTSE-OPRDCNLKSA-N	237.303	-0.129	50	10	BBGE	
N#C[C@H](O)[C@H](N)COc1ccccc1O	1952987778	RQBAHXUVQGGMJJ-APPZFPTMSA-N	208.217	-0.017	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@H]1CCNC1=O	1954822957	XVMJSGBBXBIOQY-BQBZGAKWSA-N	206.673	-0.594	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CC1(F)F	1955223076	PXFMBKOWJPVGGG-LURJTMIESA-N	207.224	-0.047	50	10	BBGE	
C[S@@](=O)C[C@H](NC(=O)NN)C(C)(C)C	1955279133	VSIBRAXYOHCCTB-DXRPGJJCSA-N	221.326	-0.048	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(=O)NC(=O)C1	1957306441	KFBYYMHOZSDSRT-YFKPBYRVSA-N	218.640	-0.511	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1cnco1	1959177699	KNRDENPBRQAJPA-SSDOTTSWSA-N	212.253	-0.125	50	10	BBGE	
CN(Cc1cnn(C)n1)C[C@@H](Cl)C(=O)O	1961654955	IFMUPZHMGANWFK-SSDOTTSWSA-N	232.671	-0.061	50	10	BBGE	
CC(=O)NNC(=O)CSc1ncncc1N	1975757336	ODSXQKLSRCXHKJ-UHFFFAOYSA-N	241.276	-0.682	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21	1976387343	JRLKWQZKEBBZGM-KZVJFYERSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1[C@H]1C[C@H]21	1976401997	KYTUGUBDAIYUTQ-NGJRWZKOSA-N	231.246	-0.048	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC([C@@H](F)CO)CC1	1977993755	KSCSJTODLZFBPG-APPZFPTMSA-N	233.287	-0.593	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1	1978710257	YCINPQJROHJVGC-RQJHMYQMSA-N	233.243	-0.083	50	10	BBGE	
COC[C@]12CN([C@H](C)C(=O)NN)C[C@@]1(C)C2	1978982993	XQJGRPVSZRIGGI-IEBDPFPHSA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ccc(B(O)O)cn1	1981413243	DFAFTVJZSPXIOQ-IUCAKERBSA-N	220.081	-0.146	50	10	BBGE	
OB(O)c1cnccc1N1CCC12CCC2	1981422289	MNRQKMAYUOKWAM-UHFFFAOYSA-N	218.065	-0.106	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC(O)C2)C1	1981991587	AVUOSVCEILWVNM-INWMGODYSA-N	227.308	-0.398	50	10	BBGE	
CCOC(=O)[C@H]1CNCCN1C[C@@H](Cl)C#N	1982217014	RXFLYMQNGHMHTM-DTWKUNHWSA-N	245.710	-0.046	50	10	BBGE	
C[C@@H]1C[C@@H](C)C(=O)N(CCC(=O)NN)C1=O	1983373389	CXGBJJTWRAXABK-RNFRBKRXSA-N	227.264	-0.603	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CCCCCC(=O)NN	1985572119	PJDQRSKMDCVFNR-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC[S@@](C)(=O)=NCCN1CC(=O)OC(=O)C1	1987417879	KOPRDUHAHBAEFP-MRXNPFEDSA-N	248.304	-0.511	50	10	BBGE	
NNC(=O)CCN1CC(O)(c2cccs2)C1	1989950153	WOTAHSCOCPUUSY-UHFFFAOYSA-N	241.316	-0.369	50	10	BBGE	
C[C@@H](CN1CCCCC12COC2)C(=O)NN	1992018769	SROVZBBTMZDUHR-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)N[C@@H]1CCC=C1B(O)O	1994970170	GMPWKJXHBICSSZ-GTNGPMTGSA-N	227.044	-0.049	50	10	BBGE	
C[C@H]1C[C@@]1(F)Cn1cc(B(O)O)ccc1=O	1995033374	FSIDJXPCHWCJDJ-OIBJUYFYSA-N	225.028	-0.724	50	10	BBGE	
NNC(=O)CCN1[C@H]2CCC[C@H]1CC(=O)NC2	1997360104	BGFIEHIEOWAMNH-IUCAKERBSA-N	240.307	-0.891	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CC2(CCC2)C1	2000585098	IQBAMZLKKXBFQL-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)[C@H]1CCCNC1=O	2004308756	DSQUBFRGPDDKHY-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](n2cncn2)C1	2004327588	PJOQSVZXLZDZQN-IUCAKERBSA-N	238.295	-0.707	50	10	BBGE	
NNC(=O)CN1CCC[C@H](N2CCCC2=O)C1	2004406360	FZIRVOCVWHRNSD-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
CC[C@@H](C1CC1)N(C)c1ncc(B(O)O)cn1	2004913563	GKTFHLQLZYMUAD-JTQLQIEISA-N	235.096	-0.219	50	10	BBGE	
Cc1ccnc(N2CCOC[C@@H]2C)c1B(O)O	2004918442	LVTQZIBVBWIFCZ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1nc(N2CCO[C@H]3C[C@@H]32)ccc1B(O)O	2005016979	XTEYSDCTMQCUNK-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
CC1(C)CN([C@@H]2CCN(CCC(=O)NN)C2)C1	2007834486	HZXAIXWFFOJHNW-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCC(F)(F)[C@H]2C1	2015844324	MOWIHHCQUSTOGA-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
O=C(COC1CCC1)N[C@@H]1CCC=C1B(O)O	2020061308	ZWPQKCCGHWXJPE-SNVBAGLBSA-N	239.080	-0.228	50	10	BBGE	
C[C@]1(F)C[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1	2021325209	BDHJIXXXBFMZHO-HCVRKRLWSA-N	247.031	-0.833	50	10	BBGE	
COC[C@H](C)NC(=O)c1ccccc1B(O)O	2022196243	JNONEJZPBZRWKO-QMMMGPOBSA-N	237.064	-0.869	50	10	BBGE	
C[C@H]1C[C@H](Oc2ncc(B(O)O)cn2)CCO1	2025212393	ORTQFBSUFGDAKQ-IONNQARKSA-N	238.052	-0.897	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCc2nnccc2C1	2043020845	XVPZXUAYHPBBCL-ZJUUUORDSA-N	247.302	-0.539	50	10	BBGE	
CCc1cc(B(O)O)c(C=O)cc1C#N	2060238739	QHFDEDIPSDXWLU-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2CCC=C2B(O)O)nn1	2076081282	HJNCJFBQHJTWEO-VIFPVBQESA-N	247.063	-0.384	50	10	BBGE	
CN(C)CCN(C)Cc1cc(B(O)O)cs1	2211073180	XKHJMJIYIFZHBA-UHFFFAOYSA-N	242.153	-0.579	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H]2C[C@H]1CO2	2211828050	SSAYHEOWQCIBQB-QEYWKRMJSA-N	225.292	-0.524	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1=O	2211838724	KPZHIMMHXPBUII-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
CC=CCCN=c1cc(B(O)O)c(C)c[nH]1	2212604202	NDMRPTARQFLSQM-UHFFFAOYSA-N	220.081	-0.130	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]1C1CC1	2212606402	SWPYRXPZHCCVRX-SCZZXKLOSA-N	218.065	-0.028	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2213954923	OBWRORCTYDECPI-YTWAJWBKSA-N	240.351	-0.221	50	10	BBGE	
C=CCNCCOc1cc(B(O)O)c(C)cn1	2217174700	XNSDSRADAFDXRR-UHFFFAOYSA-N	236.080	-0.776	50	10	BBGE	
C[C@@H]1CCC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217202661	YKLSCYWZNOXMTJ-RKDXNWHRSA-N	235.096	-0.574	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)n1	2222679647	CVDSAGIYZMXOAZ-MYJAWHEDSA-N	248.091	-0.049	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3CCO[C@H]3C2)c1	2223628965	SFIHBRLNEYKQHF-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
CN(C)CC1CC(Nc2cc(B(O)O)ccn2)C1	2223667602	QYCDRTUMAYEKKB-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CCCC23CC3)[nH]c1	2223671065	HBLLHWGBSZSLEO-SECBINFHSA-N	247.107	-0.430	50	10	BBGE	
Cc1cc(CN(C)c2ncccc2B(O)O)on1	2223673933	IFVNFQFDEDNHBW-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@@H](F)C1	2243347231	JRPLNNWHVDZHDN-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
COC[C@H](C)NC(=O)c1csc(B(O)O)c1	2243349370	KGNANTNBGBOJBR-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
CS[C@H]1CCC[C@@H]1N(C)C(=O)C#CB(O)O	2243357626	ZGKSFYLQNXSQFF-IUCAKERBSA-N	241.121	-0.256	50	10	BBGE	
CCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H]1B(O)O	2243391703	NBRHZYDVBKIGHJ-BQBZGAKWSA-N	223.041	-0.805	50	10	BBGE	
COCCSCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243392088	RCRXTSNAXJINMG-YUMQZZPRSA-N	247.125	-0.655	50	10	BBGE	
COC(=O)CN(C)C(=O)C1(B(O)O)CCC1	2243398347	PMLWEHACGGWUAI-UHFFFAOYSA-N	229.041	-0.985	50	10	BBGE	
COCCCCCCNC(=O)C#CB(O)O	2243400486	BVKRHKVTYMMXFZ-UHFFFAOYSA-N	227.069	-0.675	50	10	BBGE	
CC(C)CCNC(=O)c1ncsc1B(O)O	2243408062	GGEUIPRLELFOCJ-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CN(C[C@H]1CCN1)C(=O)C1(B(O)O)CCC1	2243409798	PEZQNPUZAALSSF-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
CC(C)N1CC(NC(=O)C2(B(O)O)CC2)C1	2243411423	SVFHMOGPICNXKR-UHFFFAOYSA-N	226.085	-0.798	50	10	BBGE	
CC1(CO)CN(C(=O)C2(B(O)O)CCC2)C1	2243411639	XTZHWVSNEDUGCD-UHFFFAOYSA-N	227.069	-0.776	50	10	BBGE	
NNC(=O)C(F)(F)CCO[C@@H]1C=CCOC1	2244132697	ROYMZYGAVIDXLM-SSDOTTSWSA-N	236.218	-0.027	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cc(B(O)O)sn1	2244149634	NFLOZGJHURAALO-YFKPBYRVSA-N	246.072	-0.747	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)s1	2244151735	XUHXPQKPJIGUMI-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
CN[C@H](C)COc1cc(B(O)O)c(Cl)cn1	2245913840	YXTJLPSHZNCFRG-ZCFIWIBFSA-N	244.487	-0.599	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccncc1B(O)O	2247737828	KPJLFNLRXJMPDN-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC[C@H]2C[C@@H]12	2247742184	LPTOEZAAAHHIIB-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
CO[C@@H]1C[C@H](C)CC[C@@H]1NC(=O)C#CB(O)O	2247742577	QQJDUVHBOHMKHF-KXUCPTDWSA-N	239.080	-0.678	50	10	BBGE	
CC[C@@H](O)[C@H]1CCCCN1C(=O)C#CB(O)O	2247743266	BFIGAUHFCARNJS-NXEZZACHSA-N	239.080	-0.846	50	10	BBGE	
Cc1cc(C)c(CNC(=O)C#CB(O)O)cn1	2247743982	LVAYTOPBOXUCJK-UHFFFAOYSA-N	232.048	-0.670	50	10	BBGE	
O=C(NCCC1CCNCC1)C1(B(O)O)CC1	2247756135	MIFJBFUBDCQWMG-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2247762453	FBFGBDXGLMSVEA-MRVPVSSYSA-N	238.096	-0.377	50	10	BBGE	
O=C(NCC1[C@@H]2COC[C@@H]12)[C@H]1C[C@@H](B(O)O)C1	2247786164	WTPWSFXTMNAMRE-MBLNEYKQSA-N	239.080	-0.752	50	10	BBGE	
CCN1CCN(C(=O)C2CC(B(O)O)C2)CC1	2247796563	AULXWHBGNDPYNJ-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CO[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247796663	BSZKZKUEKMFCMZ-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCCC[C@H]1CO	2247796680	BVPUORNXOXHSBC-GUBZILKMSA-N	241.096	-0.387	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C(=O)C1CC(B(O)O)C1	2247803672	CIUIINGDDPKWEV-AMDVSUOASA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H](O)CCC12CC2	2247805218	JVKJLERTJVLKDF-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC(CCO)CC1	2247806400	FLDBJWPFGWZKOS-ZJUUUORDSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1CNC[C@H]1CNC(=O)C1CC(B(O)O)C1	2247809372	YSXBTCOZOCPTRS-RJQCTPFPSA-N	240.112	-0.789	50	10	BBGE	
O=C(NC[C@@H]1CCCCCN1)[C@H]1C[C@H]1B(O)O	2247810732	ZSPPDGWOPJVHDJ-LPEHRKFASA-N	240.112	-0.502	50	10	BBGE	
CC(C)CN(CCN(C)C)C(=O)C#CB(O)O	2247847082	RAIOSQVMHIWKJB-UHFFFAOYSA-N	240.112	-0.952	50	10	BBGE	
CC(C)C[C@@H](CNC(=O)C#CB(O)O)N(C)C	2247847109	RMCVSFRXSQRAKP-JTQLQIEISA-N	240.112	-0.906	50	10	BBGE	
CC1(C)OCCC[C@H]1CNC(=O)C#CB(O)O	2247848259	JHWLCAXOTIGJQD-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(CCCO)CC1	2247849286	YEJFXRVUNWFXQC-UHFFFAOYSA-N	239.080	-0.987	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCC1	2247874655	OEJMXIZOMKYFHQ-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
CC#CC[C@@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900616	YISDOHSENODNIX-GUBZILKMSA-N	239.080	-0.870	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)CC(=O)O	2248584665	ABSMVYXLMMVMPV-BIIVOSGPSA-N	243.068	-0.534	50	10	BBGE	
CN(CC1COC1)C[C@@H]1CC[C@@H](C(=O)NN)C1	2249023513	PEQUBGNXHLZWKA-MWLCHTKSSA-N	241.335	-0.029	50	10	BBGE	
Cc1cnc(O[C@H]2C=CCOC2)cc1B(O)O	2249210487	FTGOCTAIIKLKEU-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2249412127	VFXDIRRFUXRVRM-MRVPVSSYSA-N	235.048	-0.250	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1cocc1B(O)O	2249417385	FPOFCZLCCAZLNT-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
CC1(C)CO[C@H](C(=O)NCCC#CB(O)O)C1	2249999325	UPFITKBDYHOJNH-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CC1CC2(C1)CC(C(=O)NCC#CB(O)O)C2	2250464759	PPGMWEJQSUQQSY-UHFFFAOYSA-N	235.092	-0.056	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2CC=CC[C@@H]21	2255486244	XRWRCDLSQRMNLK-SCZZXKLOSA-N	247.059	-0.250	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1CC12CC2	2255498243	PRBIVQRGUMYAKP-NSHDSACASA-N	245.087	-0.043	50	10	BBGE	
Cc1cc(C(=O)N2CCCCO2)ccc1B(O)O	2255509386	KNAAIZBXGMADAW-UHFFFAOYSA-N	249.075	-0.158	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1cc(C)cc(B(O)O)c1	2255514915	PJBJOUOQPAFVQQ-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
C=C[C@@H]1CCCCN1C(=O)c1n[nH]cc1B(O)O	2255547741	OZGZOXZPSCLITI-MRVPVSSYSA-N	249.079	-0.730	50	10	BBGE	
Cc1nnccc1NC(=O)c1ccc(B(O)O)o1	2255681607	UXASEGMFKRVZOJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
N#CCCCCNC(=O)c1ccc(B(O)O)cn1	2255716565	DLXYLISPCGHFRP-UHFFFAOYSA-N	247.063	-0.815	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(C)cc1B(O)O	2255736598	QITDHJOBLFIBHH-JTQLQIEISA-N	245.087	-0.019	50	10	BBGE	
C#CCCC(=O)N[C@H](C)c1cccc(B(O)O)c1	2256636679	OAEWHEYKGHRCDG-SNVBAGLBSA-N	245.087	-0.043	50	10	BBGE	
C#CCN(C(=O)c1cocc1B(O)O)C1CCC1	2258139159	SWSNIEBNBQGLRU-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
OB(O)c1cccnc1OC1(C2CCC2)COC1	2260132577	OUMZTOPQMSONSC-UHFFFAOYSA-N	249.075	-0.291	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298369904	IMSQTJMPDXVAMG-ZYUZMQFOSA-N	241.096	-0.341	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1B(O)O	2302191810	ZAVXMIMBEYNSHY-RXKWGBCNSA-N	239.080	-0.515	50	10	BBGE	
Cc1nc(C)n(CCN2CC[C@H](B(O)O)C2)n1	2303105753	PNURJNHIRHTDMJ-JTQLQIEISA-N	238.100	-0.556	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]2[C@@H]1CO)C(=O)NN	2303424906	WWTBMIGDOIGTAV-MIZYBKAJSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1cc(B(O)O)c(F)cn1	2303835838	CXHFYXZPUFRFOA-RNFRBKRXSA-N	242.034	-0.163	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCC[C@@H]2O)ncc1F	2303847674	MNWWGADSZULUEE-BDAKNGLRSA-N	240.043	-0.774	50	10	BBGE	
NNC(=O)N1CC(c2cn3cccnc3n2)C1	2306819865	YIDONZIIVPLTQY-UHFFFAOYSA-N	232.247	-0.288	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCC[C@H]3CCO[C@H]32)n1	2307112521	NFLCXRZHHUASTR-IQJOONFLSA-N	236.080	-0.307	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	2312517066	PYVGVPQPAWVSNK-QUIJIENNSA-N	249.314	-0.131	50	10	BBGE	
O=C(N1CCc2nccn2CC1)C1(B(O)O)CC1	2315472877	JTYAXZMFTRLNNT-UHFFFAOYSA-N	249.079	-0.725	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@@H](O)C2)cc1B(O)O	2317309350	RUPDYAIZHJLKEL-GXSJLCMTSA-N	249.075	-0.496	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCCNC(C)=O	2318454518	ALCMCMHEKKBNSF-UHFFFAOYSA-N	238.291	-0.354	50	10	BBGE	
Cc1occc1C(=O)NNC(=O)c1cn[nH]n1	48889343	WTINLZZXZZRUIJ-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CN(C(=O)C(=O)NN)c1cccc(F)c1	50010711	UYZYPWZJNYNZRJ-UHFFFAOYSA-N	211.196	-0.222	50	10	BBGE	
COCCn1cc(/C=N/NC(C)=O)cn1	59914187	VBOISBPNQYNSIG-BJMVGYQFSA-N	210.237	-0.001	50	10	BBGE	
O=C1NCC[C@H]1N1CC[C@@H](Br)C1=O	143024899	ONMHPWNVWSUAPS-PHDIDXHHSA-N	247.092	-0.129	50	10	BBGE	
CC[C@@H]1CN(Cc2cccc(B(O)O)c2)CCO1	199011384	HTDMZRSKVDUPNK-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
OC/C=C/[C@H](O)[C@H](O)CBr	223928528	YTMORFNIWVQAMT-AUGZYCGMSA-N	211.055	-0.348	50	10	BBGE	
CCCn1cc(O[C@H](COC)C(=O)NN)cn1	232418721	OTXYOFJHMZZJLM-SECBINFHSA-N	242.279	-0.323	50	10	BBGE	
COC[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	251065638	DDBMWKNBCXVGOZ-DTWKUNHWSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H]1CC[C@H](C(N)=O)CN1[C@H](C)CC(=O)NN	251890950	RTYLOTNNWORLLS-HLTSFMKQSA-N	242.323	-0.659	50	10	BBGE	
CC(=O)N[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C1	252795404	AZQYQENRZRPPDW-NQMVMOMDSA-N	242.323	-0.789	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	300021537	VUGQEIGQYULHHG-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCCO	300815438	LWEYIHSVGWTAOQ-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
Nc1c(B(O)O)cc(O)c2sccc12	306737127	RADCCLZAZZELEY-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C(=O)NN)C(C)(C)C	308316262	VPUDCVZSPHTLKH-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(CN)C1)C(=O)NN	309064164	YEJWMASNZSRBOJ-SCZZXKLOSA-N	214.313	-0.717	50	10	BBGE	
Nc1cc(B(O)O)cc([C@@H]2CCCNC2)c1	309233325	ZASYMNFNKUARSA-MRVPVSSYSA-N	220.081	-0.584	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)N[C@@H]1CSC[C@H]1C	309399857	HFNULUUMJRKORN-BKPPORCPSA-N	245.348	-0.117	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2C3CCC(CC3)[C@H]2C1	383941946	OUECPUSIVWCLDV-YDYPAMBWSA-N	237.303	-0.129	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)[C@@H](C)CO1	403782877	ACJAHIRVWGUXNK-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
C/C=C/C=C\C(=O)NNC(=O)[C@H]1COCCO1	491928646	YNWUFIWCHZXGIT-NUTWUSADSA-N	240.259	-0.319	50	10	BBGE	
COC[C@H](CN(C)[C@H](C)[C@@H](C)C(=O)NN)OC	691289327	YGRVRMPVUVJXFG-BBBLOLIVSA-N	247.339	-0.406	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)C[C@]1(C)CO	694660981	KBAVXSVFQUJWKB-BXKDBHETSA-N	243.351	-0.047	50	10	BBGE	
COCCSCC(=O)NNC(N)=S	700852335	DSLPKMWFWQMXGL-UHFFFAOYSA-N	223.323	-0.770	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCn1ccnn1	703423435	BUIFPKRQQZBKKL-HTQZYQBOSA-N	236.231	-0.806	50	10	BBGE	
C[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NN)C1	709239366	QXCGQVRBMJJQHI-ZETCQYMHSA-N	239.197	-0.223	50	10	BBGE	
CN(C)C[C@@]1(O)CCN(C(=O)CCl)C1	713719015	OAUUWXGTPSYXAK-VIFPVBQESA-N	220.700	-0.250	50	10	BBGE	
CC[C@@H](Sc1nc(O)cc(O)n1)C(=O)NN	716516749	JSXNOCHDCGQXSU-SCSAIBSYSA-N	244.276	-0.252	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)c1cnn(C)n1	716755183	WXTLCLWMAAFINB-ZETCQYMHSA-N	245.714	-0.286	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@@H]1[C@H]2COC[C@H]21	824404187	MJCNKOWTNSTXDP-JIGDXULJSA-N	227.264	-0.382	50	10	BBGE	
C[C@H](CO)[C@@H]1CCCCN1CC(=O)NN	829253553	QJPBSUKSPXWAKC-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
O=S(=O)(CCl)N1CCn2nncc2C1	848468563	XLBZMHFEEWORED-UHFFFAOYSA-N	236.684	-0.380	50	10	BBGE	
CO[C@H](C=NNC(=O)[C@H]1COCCO1)C1CC1	853313034	CCOXCGGUJXPKNI-NXEZZACHSA-N	242.275	-0.071	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNS(C)(=O)=O)O1	863424385	HTKWRMNESARWIN-PHDIDXHHSA-N	222.266	-0.866	50	10	BBGE	
Cn1nccc1CCC(=O)NNC(=O)C1CC1	1116637511	BJIMBIZINNLILW-UHFFFAOYSA-N	236.275	-0.090	50	10	BBGE	
CC(=O)NNC(=O)c1cccc2c1NC(=O)CO2	1135818208	MBZNNJQOEQIMRO-UHFFFAOYSA-N	249.226	-0.202	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@]1(O)CCOC1	1136055505	KOBUFMCAQOCOJK-JTQLQIEISA-N	246.263	-0.306	50	10	BBGE	
CNC(=O)NNC(=O)c1nnn(C(C)(C)C)n1	1328186281	UEXWQNMDOOPFHE-UHFFFAOYSA-N	241.255	-0.998	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNC(=O)NC(C)C	1583869933	IJOZPFPSXYCRJH-MRVPVSSYSA-N	227.264	-0.237	50	10	BBGE	
Cc1cncc(C(=O)NNC(=O)c2ncon2)c1	1618115911	GMDQCRFBEUJXHY-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
O=C(NNC(=O)c1ccccc1O)c1ncon1	1639765503	ONEVIZRCMUOWLR-UHFFFAOYSA-N	248.198	-0.150	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@H]2Br)COC1	1877404927	QQJXYXHQGCEKMU-PHDIDXHHSA-N	249.108	-0.386	50	10	BBGE	
C=C(CN1CC(SCC)C1)B(O)O	1883732728	JNBYOWIKKVGJOU-UHFFFAOYSA-N	201.100	-0.008	50	10	BBGE	
O=C(F)N1CCS(=O)(=O)CC12CNC2	1887173991	UCSZUBAVXAJNBA-UHFFFAOYSA-N	222.241	-0.852	50	10	BBGE	
CO[C@@]1(CNC(=O)F)CCS(=O)(=O)C1	1887187705	GILUPVUXIUIZHI-SSDOTTSWSA-N	225.241	-0.131	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C(C)C	1888598286	FGIXJEIPUQOJTG-UHFFFAOYSA-N	208.283	-0.045	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2COC[C@@H]21	1896232919	OWIDHUYCXZJMBU-VGMNWLOBSA-N	227.308	-0.278	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C[C@@H](O)CCl)C[C@H]21	1900558576	NAJWXYNNSCNMCB-HSNKUXOKSA-N	218.684	-0.751	50	10	BBGE	
O=Cc1ccc(N[C@@H]2C[C@H]2F)cc1B(O)O	1901237076	DYZZLYDQMKYSAF-NXEZZACHSA-N	223.012	-0.299	50	10	BBGE	
C[C@@H](C(=O)N1CC[C@](C)(B(O)O)C1)N(C)C	1902521498	HYZUSXOIAWPZKT-WPRPVWTQSA-N	228.101	-0.598	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)Cc1nc(B(O)O)cs1	1902639778	VNYYBOFWIUTRIF-HTQZYQBOSA-N	240.137	-0.089	50	10	BBGE	
CS(=O)(=O)[C@@H]1CCC[C@@H]1NC(=O)NN	1905553366	SCMJKORPAOPVTL-NTSWFWBYSA-N	221.282	-0.875	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2[C@H](C1=O)C2(C)C)C(=O)NN	1912236239	GJWZKZNAKNEEGJ-FSDSQADBSA-N	239.275	-0.747	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CCOC2)C1	1915583747	SITNRGLSYLHITK-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CC#N)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927916171	NSWIRGRXRJBJKQ-HRDYMLBCSA-N	210.281	-0.154	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)S(=O)(=O)CCCl	1931392793	NMWPOYXBIWCMAY-LURJTMIESA-N	242.728	-0.249	50	10	BBGE	
CO[C@@]1(C)CCCN(CC(=O)NN)CC1	1931666952	LJACBAXOMGXSAH-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
COC[C@@H](NCC=CCCl)C(N)=O	1932162859	ATBXZEZFDYSDRU-SSDOTTSWSA-N	206.673	-0.129	50	10	BBGE	
O=C(C1CS(=O)(=O)C1)N1CC[C@H]1CCl	1933141186	QFLHPNIVGJGEBA-ZETCQYMHSA-N	237.708	-0.129	50	10	BBGE	
CC(C)CN(CCO)[C@H](C)CC(=O)NN	1933488624	QLKPFUXVZLTMAR-SECBINFHSA-N	217.313	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSc1nccnc1N	1936095339	WGBMYDGGUNUDHE-NTSWFWBYSA-N	239.304	-0.223	50	10	BBGE	
CC[C@]1(O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1937984063	LSBXKITXOFRDNE-QXEWZRGKSA-N	227.308	-0.541	50	10	BBGE	
O=C(Cn1cncn1)NC[C@H]1COC[C@H]1Cl	1939165594	CBXDTTGVDQAKCK-JGVFFNPUSA-N	244.682	-0.352	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)CCC1(C)C	1939466442	PVHYKUQUTMLUAU-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1N(C)C	1941083715	SSKUFWLKWNSCKE-YTWAJWBKSA-N	240.351	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](N2CCC2)C1	1941086901	KVSDJIGMSOQYOT-OUAUKWLOSA-N	238.335	-0.608	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C(F)(F)C12CCCC2	1948043381	IBBSZBGZWYPCTQ-ZCFIWIBFSA-N	247.245	-0.082	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ncccc1B(O)O	1961695956	LKCLIZZXIOIESB-SFYZADRCSA-N	206.054	-0.394	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]2C)n1	1961705528	CZLYFOWDDNWCHJ-MRVPVSSYSA-N	206.054	-0.332	50	10	BBGE	
O=CN1CCN(C2CN(C(=O)CCl)C2)CC1	1977909871	YZXVKYYQDOUULD-UHFFFAOYSA-N	245.710	-0.790	50	10	BBGE	
COCC(C)(C)N(C)c1nc(B(O)O)cs1	1981471396	JACLCEBXSRVJBU-UHFFFAOYSA-N	244.125	-0.316	50	10	BBGE	
CCON(CC)c1ccc(B(O)O)c(C)n1	1981472358	PSXCONLBDCFLOM-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
CN(C)CCOc1ccc(F)c(B(O)O)c1	1981499966	HRKNVONQDOSDCR-UHFFFAOYSA-N	227.044	-0.554	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOC[C@H]1C(=O)O	1982967920	BKYJEGCZGNOIRJ-RQJHMYQMSA-N	231.252	-0.748	50	10	BBGE	
C[C@H]1C[C@@H](C)C(=O)N(CCC(=O)NN)C1=O	1983373388	CXGBJJTWRAXABK-KNVOCYPGSA-N	227.264	-0.603	50	10	BBGE	
Cc1nn(C[C@H](C)N(C)C)c(C)c1B(O)O	1983813312	XFKLESVCGPJBPG-ZETCQYMHSA-N	225.101	-0.870	50	10	BBGE	
C[C@H](CO)CN(C)CCC(F)(F)C(=O)NN	1984127891	GHDGABFNTBIAQR-ZETCQYMHSA-N	239.266	-0.438	50	10	BBGE	
CC[C@H](C(F)F)N(C)CCOCC(=O)NN	1984218049	DIGCPUYCSWICCN-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
CN(C)[C@H]1C[C@H](Oc2nc(B(O)O)cs2)C1	1986221567	PYYYKTLBDUEEAP-LJGSYFOKSA-N	242.109	-0.706	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](C2(O)CC2)C1	1987342764	ZDCILJNPQFPNRI-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
Cc1ncnc(C)c1CN(C)CC(=O)NN	1987451840	DGCAYASHXPVUSI-UHFFFAOYSA-N	223.280	-0.485	50	10	BBGE	
COC[C@@H](C)CCOc1nc(B(O)O)cs1	1987528970	VVKGTSAKTWOBEW-ZETCQYMHSA-N	245.109	-0.126	50	10	BBGE	
C=C(CN1CC[C@H]2CCOC[C@@H]2C1)B(O)O	1992159613	NGBXNUJWAKJYRD-QWRGUYRKSA-N	225.097	-0.087	50	10	BBGE	
C[C@H]1c2c(cnn2C)CN1C[C@@H](C)C(=O)NN	2003028944	ZXGRXKJAAZJJFH-SFYZADRCSA-N	237.307	-0.077	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](C3CC3)C2)nc1	2004912353	RUDUDVLKINBKFG-VIFPVBQESA-N	233.080	-0.607	50	10	BBGE	
COC[C@H](C)N(C)c1ncc(B(O)O)cc1C	2005014930	SWPMGVGRVCXIAH-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
COC[C@@H]1CN([C@H](COC)C(=O)NN)C[C@@H]1C	2006563031	QSLQWRIGPCWYFD-LPEHRKFASA-N	245.323	-0.794	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008974688	HXJHYODHODIQNZ-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
CC(C)(CCN1CC2(CC[C@@H]2O)C1)C(=O)NN	2009520397	KYBCCRQUDMOPFP-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CCc1ccn(-c2ncc(B(O)O)cc2C)n1	2012153640	HXRIWFPEOVUXQH-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CC2(CCC2)CO1	2021106884	LBBGVZRZNUTLGQ-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
C[C@@]1(CN2[C@H]3CC[C@H]2C(=O)OC3=O)CC(=O)N1	2025634617	RPERCALHGGSVGO-HFJPGXAFSA-N	238.243	-0.819	50	10	BBGE	
Cc1ocnc1C(=O)Nc1cccc(B(O)O)n1	2042249050	ISYUHSUGWRAPJN-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CN(C)[C@@]1(C)CCN(c2ccc(B(O)O)cn2)C1	2052472913	OQDDXWWOHSIDKM-LBPRGKRZSA-N	249.123	-0.708	50	10	BBGE	
Cc1ncnc(N(C)CC2[C@H]3CC[C@H]23)c1B(O)O	2052554557	WHXMYZOOILOLAP-IUCAKERBSA-N	247.107	-0.443	50	10	BBGE	
Cc1nc(N2CCN(C)[C@@H](C)C2)ccc1B(O)O	2052624734	HXLGUQCDMWCYGH-VIFPVBQESA-N	249.123	-0.790	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])c(Cl)cc1B(O)O	2060133476	BUKLDZFBUMKYTD-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
O=Cc1c(OC(F)F)ccc(F)c1B(O)O	2060265985	VDNKJVQTHHLDKD-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2c(c1)CCO2	2077482306	FTWKFEJKAOIFQI-UHFFFAOYSA-N	245.043	-0.633	50	10	BBGE	
CC[C@@H]1C[C@H]1CN(C)c1nc(C)ncc1B(O)O	2079407591	WIOJICBGTBYUKX-ZJUUUORDSA-N	249.123	-0.053	50	10	BBGE	
Cn1nccc(C[C@H](Cl)C(N)=O)c1=O	2209701199	UOWBLKMEQBVEKZ-LURJTMIESA-N	215.640	-0.585	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212286188	OFZWPHYHLFBGDH-MBTKJCJQSA-N	219.049	-0.061	50	10	BBGE	
CSCCCN(C)c1cc(B(O)O)ccn1	2212600865	GJEKRODEVSBIBG-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
C#CC(C)(C)N(C)c1ccc(B(O)O)cn1	2212603501	OYBFMEBSPVQRPI-UHFFFAOYSA-N	218.065	-0.391	50	10	BBGE	
C#C[C@H](CC)Nc1cc(B(O)O)c(C)cn1	2212605195	ZGLMXZOXEADGQI-SECBINFHSA-N	218.065	-0.106	50	10	BBGE	
C#CC1(Oc2nccc(B(O)O)c2F)CC1	2212609801	XIUTZFDXDZXAKP-UHFFFAOYSA-N	220.996	-0.555	50	10	BBGE	
C[C@H]1CC[C@@H]1C(=O)Nc1ncccc1B(O)O	2214986948	BSDYSMPLHBWTIC-YUMQZZPRSA-N	234.064	-0.254	50	10	BBGE	
NNC(=O)C1(Cn2ccc(C(N)=O)n2)CCC1	2216493461	GGXXDSNEXDOVOQ-UHFFFAOYSA-N	237.263	-0.858	50	10	BBGE	
C[C@@]1(O)CCCN(CC2(C(=O)NN)CCC2)C1	2216494945	IBMUOZMXCYQORV-LLVKDONJSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H]1OCCN(c2cc(B(O)O)ccn2)[C@H]1C	2217172496	KKCTUFJHPBNIBP-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1cnc(N[C@H]2CCCOC2)cc1B(O)O	2217184268	RHZSGHVAYLQDFO-VIFPVBQESA-N	236.080	-0.339	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@@H]1CCN1	2217188333	MNJUPEKWINHXQI-XPUUQOCRSA-N	240.043	-0.970	50	10	BBGE	
OB(O)c1ccc(OCCNCC2CC2)nc1	2217191500	KGJQILKDQUMMOV-UHFFFAOYSA-N	236.080	-0.860	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CCCNCC1	2217197142	XUVTVHKUQFNQAW-VIFPVBQESA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1CNCCCN1Cc1cccc(B(O)O)c1	2220061373	BOWMJVYYSNPADL-LLVKDONJSA-N	248.135	-0.450	50	10	BBGE	
CN(Cc1cnccn1)C[C@H]1CC[C@H]1C(=O)NN	2221571881	IEVKSZPOIVWCAQ-MWLCHTKSSA-N	249.318	-0.076	50	10	BBGE	
NCC[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223629591	VORJBEXGUVRYQR-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1cccnc1NC1CC2(CCNC2)C1	2223638331	VXQDOJYNUNLWTK-UHFFFAOYSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CN[C@@H](C3)C2)nc1	2223669501	KUZLPMPAPQMUAW-INTQDDNPSA-N	247.107	-0.686	50	10	BBGE	
CC(F)(F)C(=O)NCCC#CB(O)O	2241907088	AJOBRXGKVKAUJX-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CS[C@@H]1CCNC1	2241942106	RXSZGZYEKSRUKJ-RNJXMRFFSA-N	215.322	-0.293	50	10	BBGE	
COC[C@H](OCCOC(F)(F)F)C(=O)NN	2242781136	FGHQPVIUQBXGFR-YFKPBYRVSA-N	246.185	-0.456	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccsc1B(O)O	2243358737	KAGDHMFXQOSGHV-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC(C)(C)CNC(=O)c1occc1B(O)O	2243363142	BPPDRGDJBMVUBW-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CC(C)[C@@H](N)CNC(=O)C1(B(O)O)CCC1	2243363943	OULCMVZLSPRXFV-QMMMGPOBSA-N	228.101	-0.517	50	10	BBGE	
O=C(Nc1csnn1)c1occc1B(O)O	2243364549	YVDPZKSFIIOZSC-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243383619	ZZUXEOCPYUWJFU-HACHORDNSA-N	227.069	-0.513	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1C(=O)C1(B(O)O)CC1	2243408442	NEGRMXLSXBYKNW-SFYZADRCSA-N	226.085	-0.798	50	10	BBGE	
CCNC1CN(C(=O)C2(B(O)O)CCC2)C1	2243409175	CKOAEUQNBSPXQY-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CC(C)[C@H](CN)NC(=O)C1(B(O)O)CCC1	2243410073	UZEXYLHZUQLONR-QMMMGPOBSA-N	228.101	-0.517	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1nccn1C	2243410607	FCKWZBRCOQIHAW-UHFFFAOYSA-N	223.041	-0.610	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2F)c(B(O)O)s1	2243414543	CSLOXAFNHQRDND-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
CC1(N)CC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243417580	UTVVYDJUZZMXPN-NLZKFAMNSA-N	226.085	-0.765	50	10	BBGE	
C=C(CS(=O)(=O)NC1(C(C)C)CC1)B(O)O	2243426858	MXJFVHVJMBDFOO-UHFFFAOYSA-N	247.125	-0.337	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1ccoc1B(O)O	2247737895	LMXOZNJBVZJVGQ-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
C[C@@H]1CCCC[C@@]1(O)CNC(=O)C#CB(O)O	2247738643	TXPWNKYNKCCGAL-MWLCHTKSSA-N	239.080	-0.941	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)C1(B(O)O)CCC1	2247750889	PKJVTNOFIZCJFZ-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
COC[C@](C)(NC(=O)C1(B(O)O)CC1)C1CC1	2247751424	XQLSNEVZOSONIN-JTQLQIEISA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CC[C@H](N2CCC2)C1)C1(B(O)O)CC1	2247753481	HNXLSNMGFSVREE-VIFPVBQESA-N	238.096	-0.700	50	10	BBGE	
O=C(N1C[C@H]2C[C@H](O)C[C@H]1C2)C1(B(O)O)CC1	2247755396	JSEGHYRNCBYDIH-HLTSFMKQSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CCN1	2247758874	XJVIYRGJAHDRRF-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(B(O)O)c1	2247761157	RRAXTWLPIMIFPX-KWQFWETISA-N	233.076	-0.187	50	10	BBGE	
C=C(C)COCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786848	HKOKLJGQTOIWQP-AOOOYVTPSA-N	241.096	-0.052	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	2247805321	BHQHTOYRMNAEJQ-DJLDLDEBSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCOCC12CCC2	2247807390	HVICIIPHENUKGD-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
CCO[C@H](CNC(=O)C#CB(O)O)C1CCC1	2247849835	FZACFGDYTQFBLO-SNVBAGLBSA-N	239.080	-0.677	50	10	BBGE	
CC(C)(CF)CNC(=O)c1occc1B(O)O	2247854247	ZJABULPUXKSSIJ-UHFFFAOYSA-N	243.043	-0.315	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H](C)C#N	2247868667	WOQMQMXJCLSEIZ-ZCFIWIBFSA-N	236.036	-0.843	50	10	BBGE	
C=CCN(C)C1CN(C(=O)C2(B(O)O)CC2)C1	2247872533	UDRRYHMPYJAJHD-UHFFFAOYSA-N	238.096	-0.678	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CC2)C[C@@H]1C	2247877444	AXNKHXJQVGUPAP-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C#CCN(CC#C)C(=O)c1cscc1B(O)O	2247878147	LVHQPDBSIMDDOM-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
C=CCC(=O)N(C)Cc1ccccc1B(O)O	2248398833	WOVXUTYPFIBAHC-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
CC(C)[C@@H](CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575244	AAEPVCAJPCCJKR-SSDOTTSWSA-N	243.068	-0.534	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C(=O)O	2248579164	YBVNZVBVVBCUEL-NKWVEPMBSA-N	241.052	-0.828	50	10	BBGE	
CN(C[C@@H]1[C@H]2CC[C@H]21)C(=O)c1coc(B(O)O)c1	2255457277	AGQVHKBNTCZNJF-MYJAWHEDSA-N	249.075	-0.313	50	10	BBGE	
Cc1ccc(NC(=O)C#CB(O)O)c([N+](=O)[O-])c1	2255469810	UWXGZUCAKCBULH-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
N#CC1=CCN(C(=O)c2occc2B(O)O)CC1	2255488375	CIEXOSRTKPUZKS-UHFFFAOYSA-N	246.031	-0.745	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@@H]2CC[C@H]2C1	2255520381	JXTJVXZPSNSUNB-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)c1ccco1	2255549497	XECOGDIJFIBZLB-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CCn1cnc(NC(=O)c2cc(B(O)O)c[nH]2)c1	2255670277	WPSTXRFGUHMGQL-UHFFFAOYSA-N	248.051	-0.837	50	10	BBGE	
C=C1CCCN(C(=O)c2ccc(B(O)O)cn2)C1	2255714360	PCCIWMPQCPPZEG-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ccc(B(O)O)cc1O	2255952426	SSUAMKOIQBOLKW-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
CC#CCCC(=O)Nc1ncc(B(O)O)c(C)n1	2256721784	UGLQJQRLCXWCQQ-UHFFFAOYSA-N	247.063	-0.793	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1Cc2conc2C1	2258122840	HSUJEPGOJVGBOJ-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
N=c1cc(NC(=O)c2cc(B(O)O)co2)cc[nH]1	2258128962	SCVWHXTUZDOKGN-UHFFFAOYSA-N	247.019	-0.981	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1cc(B(O)O)co1	2258131525	VTWJENTWFJSXOX-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298369727	CMGZEIGZONTBEO-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC[C@H]1CCCNCC1)[C@H]1C[C@H]1B(O)O	2298375390	IANCUXQWCJOVOV-LPEHRKFASA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1OC2(C)CC1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298375804	ZVGSHTCSSNYESS-CMEWEWJOSA-N	239.080	-0.325	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CN1C	2298376797	OXCPGTSYUUZHDR-QEYWKRMJSA-N	240.112	-0.694	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463148	RZRDMCMFVZTVCP-XUTVFYLZSA-N	241.052	-0.829	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC2(CCN(C)C2)CC1	2299133681	SLXHWMCAXYPCNC-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2301431004	MIBDPHTYRRPVGH-IUCAKERBSA-N	240.282	-0.060	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCCNC2)ncc1F	2303847396	IMHKYFXLWRJZTC-SSDOTTSWSA-N	239.059	-0.936	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCCNC2)ncc1F	2303862278	XTHXGKCQOOWJSK-ZETCQYMHSA-N	240.043	-0.969	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1C[C@@H]2CC[C@H]1C2	2312112996	SRINIVROWPOTPP-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(B(O)O)o1	2312848183	SOIOOAXAPUOJJF-HRDYMLBCSA-N	247.059	-0.346	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)c1coc(B(O)O)c1	2312857288	IOMAQLXODJZJDE-QXFUBDJGSA-N	247.059	-0.346	50	10	BBGE	
NNC(=O)C(=O)NCCOc1ccccc1	42898611	ZNALXUCSNYIMLL-UHFFFAOYSA-N	223.232	-0.829	50	10	BBGE	
CCc1cc(C(=O)NNC(N)=S)n(C)n1	85166566	AOXNGDSDMPYACN-UHFFFAOYSA-N	227.293	-0.540	50	10	BBGE	
C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)NN	86930336	QTWPKBAGIYGKGQ-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)c1occc1CN1CCCNCC1	110594514	ADEUFVUMVVCREW-UHFFFAOYSA-N	238.291	-0.322	50	10	BBGE	
C[C@H]1CC(=O)N(CCCCCC(=O)NN)C1=O	112718778	AIXISOZBORSFQZ-QMMMGPOBSA-N	241.291	-0.068	50	10	BBGE	
CC1(C)[C@H]2C(=O)N(CCCC(=O)NN)C(=O)[C@@H]21	113667800	AYRNBDHNABHBOO-HTQZYQBOSA-N	239.275	-0.603	50	10	BBGE	
C[C@H]1C(=O)NCCN1C[C@H](Cl)C#N	132532831	RQROMTZUWKCFLN-NKWVEPMBSA-N	201.657	-0.062	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCCO1	134589919	ZNFRCOZSOZTVTF-BYPYZUCNSA-N	226.154	-0.125	50	10	BBGE	
NC(=O)CC1(NC(=O)CCCl)COC1	170274738	DYWKRQRJDXDQTJ-UHFFFAOYSA-N	220.656	-0.624	50	10	BBGE	
COc1ccc(B(O)O)c(OC)c1[N+](=O)[O-]	195893800	ATGWMBRPBJUUNT-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
O[C@H]1[C@H](O)[C@H](CCl)O[C@H]1CCl	210773808	FRMQBZPOJJJUAQ-UNTFVMJOSA-N	201.049	-0.047	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](CB(O)O)C1	212159814	AGSGJEDTJOWTFX-SSDOTTSWSA-N	221.087	-0.869	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)OC[C@@H]1C	221308579	MRTYGCRAILOUCR-LPEHRKFASA-N	245.323	-0.918	50	10	BBGE	
C[C@H](CN)CSC[C@H]1CC[C@@H](C(=O)NN)O1	228708254	VRMFJSNEDHQVLY-HLTSFMKQSA-N	247.364	-0.148	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)OC[C@@H]1C	232419206	KHWJVRHQQWPYRU-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
C[C@@H](Cl)c1cnnn1C[C@H](O)CO	308147340	OYNQUFCBKBTZEA-RITPCOANSA-N	205.645	-0.069	50	10	BBGE	
CCOC1CN([C@@H](C)CCC(=O)NN)C1	383058286	PWUQBBFQKZHWAO-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H](C)CN(C)Cc1cc(C(=O)NN)no1	383665021	MUOBEJLAELWYLH-SSDOTTSWSA-N	242.279	-0.255	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H](CO)[C@@H](C)O	387518131	HDXRQGSRLSWNDV-KVQBGUIXSA-N	240.097	-0.372	50	10	BBGE	
COC(=O)Cc1ccc2oc(B(O)O)nc2c1	396109264	DCUVHHZGVZXCIX-UHFFFAOYSA-N	235.004	-0.777	50	10	BBGE	
CCOC(=O)c1cc(B(O)O)ccc1CCC#N	396141375	ZRYWGTJIJGDART-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401553086	UESZFTTVNRUOJN-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
CCS(=O)(=O)Nc1ccc(C)cc1B(O)O	405075350	LQFJPIMMEPHEEY-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
OCc1c(F)ccc(S)c1B(O)O	575706092	RJLZWPRHXKHYEZ-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)C(=O)C(=O)NN)CO1	688489682	WTSGGAOBGLHSPP-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
CCN1C(=O)CN(C[C@H](O)CCl)C1=O	688910107	FZGAMAOUYGMCAJ-ZCFIWIBFSA-N	220.656	-0.130	50	10	BBGE	
CN(C[C@@H](O)C1CC1)CC(C)(C)C(=O)NN	690155641	MRYPEZMBFQCPOV-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
C[C@@]1(C2CC2)CN(CCC(=O)NN)CCO1	694832383	DSCMZRKVHXKNLQ-NSHDSACASA-N	227.308	-0.133	50	10	BBGE	
CN(C)NC(=O)CC1(N)CCOCC1	700870196	FIPQSKGQTGJPQG-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
CN(Cc1nn[nH]n1)C(=O)CBr	706795484	BDTRPUIESAPOIZ-UHFFFAOYSA-N	234.057	-0.447	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@H](C(N)=O)C1	710092652	GDQSKIJKJZLCLC-IUCAKERBSA-N	242.323	-0.802	50	10	BBGE	
C#CC[C@H](CO)NS(=O)(=O)CCCl	717763019	VUIGLSQGNKZZPF-SSDOTTSWSA-N	225.697	-0.471	50	10	BBGE	
CNC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCO1	851682077	RRHOAXZEDUIFHU-JGVFFNPUSA-N	244.295	-0.896	50	10	BBGE	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)C	864490322	CSWIEOCNHWZEJM-SECBINFHSA-N	241.291	-0.199	50	10	BBGE	
Cc1nnc(NNC(=O)N[C@H]2CCOC2)n1C	875416997	LSWBLUUEFJWNHL-ZETCQYMHSA-N	240.267	-0.461	50	10	BBGE	
COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCC[C@H]21	1116845569	VVLQFCKINDPWEJ-ZMONIFLSSA-N	241.247	-0.712	50	10	BBGE	
Cc1cc(=NNC(=O)/C=C/C(=O)N(C)C)cc[nH]1	1148419802	NROLXRTYCXFKNH-SNAWJCMRSA-N	248.286	-0.101	50	10	BBGE	
O=C(CO)NNC(=O)C1SCCCS1	1161080712	SJQRIBRRDDTZFL-UHFFFAOYSA-N	236.318	-0.678	50	10	BBGE	
N#CCC(=O)NNC(=O)Cc1ccccc1O	1168414404	UYDUSNGGGJAQLG-UHFFFAOYSA-N	233.227	-0.004	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1	1564995675	FCAMXPNHIZBVTP-QMMMGPOBSA-N	247.258	-0.139	50	10	BBGE	
N#Cc1ccc(NNC(=O)Cn2ncnn2)cc1	1632207141	JOWREFLWUVDLIJ-UHFFFAOYSA-N	243.230	-0.312	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1883639926	PTHIZCVTXADXGG-BWBBJGPYSA-N	207.657	-0.528	50	10	BBGE	
C[C@H](N[S@@](C)=O)c1cc(B(O)O)cs1	1884938712	HYNYOVJVQQAZHC-OVZGEXIGSA-N	233.123	-0.628	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(CCCl)C2)N1	1886471765	VHHUJEJVIYVJPB-LURJTMIESA-N	217.656	-0.635	50	10	BBGE	
NNC(=O)CN1CC[C@](F)(C(F)F)C1	1887702003	SDCJGHHPUBDLEO-SSDOTTSWSA-N	211.187	-0.345	50	10	BBGE	
C[C@@H](SCC1CC(N)C1)C(=O)NN	1888108658	QATXIZCWGZZAQC-GRQBKTHUSA-N	203.311	-0.165	50	10	BBGE	
NNC(=O)CN1C[C@]2(CO)CCC[C@]2(F)C1	1895474554	FFPOOJWDVOMFIA-UWVGGRQHSA-N	231.271	-0.837	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)C=CC(=O)Cl)C[C@H]1O	1897219449	MZSSRIBSTSIATI-XLPZGREQSA-N	247.678	-0.038	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C[C@@H](C)C(=O)NN	1899736495	UZLHRHJUKVBSBU-UTLUCORTSA-N	227.308	-0.376	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H]2C)sc1B(O)O	1899936349	HZHWQKKSEWVJRK-SSDOTTSWSA-N	239.105	-0.029	50	10	BBGE	
CC=C(C)C(=O)Nc1ccnc(B(O)O)c1	1901525083	BIOLSUNXVGYSIN-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C)CCCC(=O)NN	1901768176	ZLHIWRPZODMHSQ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
C[C@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C[C@@H]1O	1902156185	XCKUVPPVOYDWML-JLIMGVALSA-N	227.308	-0.685	50	10	BBGE	
CC(C)N1CC(CN2CC(=O)OC(=O)C2)C1	1902337317	XVNUXCCVVSYCSI-UHFFFAOYSA-N	226.276	-0.288	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1(F)F	1902523267	YMNRWRVCCDLDCJ-QYNIQEEDSA-N	233.023	-0.037	50	10	BBGE	
CC#C[C@H](C)Oc1cc(B(O)O)c(F)cn1	1903021359	SHLSPVRFQADPSL-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
Cc1nn(C[C@H]2CCO[C@H]2C)c(C)c1B(O)O	1907749904	AFJWRVCRGHTXDF-VHSXEESVSA-N	238.096	-0.395	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1913476473	SPJKXDXIIQHISV-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
CN1C(=O)C[C@H](N2CC=C(C#N)CC2)C1=O	1917075665	DQJSKNPTOLAPDA-VIFPVBQESA-N	219.244	-0.101	50	10	BBGE	
CCCc1c(C(=O)NNC(N)=O)nnn1C	1923549682	AFYBPHGBWRRLIP-UHFFFAOYSA-N	226.240	-0.919	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@@H]2C1	1928178954	KRPGJVBLSPVQMQ-RKDXNWHRSA-N	213.281	-0.665	50	10	BBGE	
NC(=O)C(F)(F)CNC(=O)NC(=O)CCl	1928325128	XMZCFHQRGMCCLC-UHFFFAOYSA-N	243.597	-0.828	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)[C@H]1CO	1929739925	CEWYYXFLWGPTEP-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
O=C1N(C(CO)CO)CC1(CCl)CCl	1932900965	ANPSMQABMLQQRE-UHFFFAOYSA-N	242.102	-0.354	50	10	BBGE	
Cn1nc(CNC(=O)NN)cc1Cl	1933168054	YROXALGIZWSXCB-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
COC[C@H](COC[C@@H]1C[C@H]1C(=O)NN)OC	1936091776	OOXMRGLAQDLPJM-DJLDLDEBSA-N	232.280	-0.710	50	10	BBGE	
CO[C@@H]1CN([C@H](C(=O)NN)C(C)C)C[C@H]1F	1937153908	LNLLPRUDQCWUHK-HLTSFMKQSA-N	233.287	-0.330	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CCC[C@@H]21	1937415313	LNGPIHDFTVNXKX-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
CN(CC1[C@@H]2CCCC[C@@H]12)C(=O)C(=O)NN	1937645305	YFFXFVFRMZBXRT-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
Cn1ncc(C(=O)NC[C@H]2COC[C@H]2Cl)n1	1939172484	OKLUSEMBENTXKN-NKWVEPMBSA-N	244.682	-0.201	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)[C@@H](C)CC(=O)NN	1940292457	XCLUQBPIZQORLE-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1CC(OCCOCC(=O)NN)C[C@H](C)O1	1941772783	NRCVEHZRQAJZPN-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
CN(C)[C@@]1(C)CCN(CC2(C(=O)NN)CC2)C1	1945889842	WHGZGLIFEUMYOJ-NSHDSACASA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)CCOCC(=O)NN	1947073349	WVDVPEZROCODKJ-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1cnnn1C	1950439300	PXSRPSJVTMUSGD-SFYZADRCSA-N	240.311	-0.739	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCC[C@@H]1C(F)F	1951321756	FMCLDHXNKJDXDF-WDSKDSINSA-N	221.012	-0.204	50	10	BBGE	
C=C1C[C@@H]1Cn1nc(C)c(B(O)O)c1C	1958246638	JQYFUDFAIHINNP-SECBINFHSA-N	206.054	-0.244	50	10	BBGE	
O=C(CCl)NCc1nnc2ncccn12	1958696499	RQQDZONXJSFFPH-UHFFFAOYSA-N	225.639	-0.021	50	10	BBGE	
CC(C)C[C@@H]1CC[C@@H]1NC(=O)C(=O)NN	1959176202	JARFBCAWXHOHMQ-YUMQZZPRSA-N	213.281	-0.083	50	10	BBGE	
CN1CCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1964511077	VEKFKUIQCNWAJT-RKDXNWHRSA-N	226.085	-0.844	50	10	BBGE	
O=C1N[C@@H]2CN(CCCCCl)C[C@H]2NC1=O	1979508165	QYTZDXGRASOHFO-HTQZYQBOSA-N	245.710	-0.696	50	10	BBGE	
C[C@H]1CCCCN1c1ncc(B(O)O)cn1	1981410400	ZKCFUUQSLOMGJA-QMMMGPOBSA-N	221.069	-0.465	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]1C1CC1	1981424263	QRHCAZWMNQAPTM-SNVBAGLBSA-N	218.065	-0.250	50	10	BBGE	
Cc1nc(N2CC[C@H](C)C2)ccc1B(O)O	1981469828	YXTWZRPOLSZDRO-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@H]1F	1982806270	URVTWVDLJVSKLN-IUCAKERBSA-N	223.012	-0.337	50	10	BBGE	
COCc1nccn1CC(F)(F)C(=O)NN	1985659594	HODNOFPMHNPWBW-UHFFFAOYSA-N	234.206	-0.345	50	10	BBGE	
CN(C)[C@H]1C[C@@H](Oc2nc(B(O)O)cs2)C1	1986221566	PYYYKTLBDUEEAP-KNVOCYPGSA-N	242.109	-0.706	50	10	BBGE	
O=C(O)CN1CC[C@H](NC[C@H]2C[C@H]2Cl)C1=O	1991439613	UCFQTKDQJGSGKK-PRJMDXOYSA-N	246.694	-0.111	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC[C@H]2C[C@@H]2C1	1992153035	KXJINPQOEGFOOU-IVZWLZJFSA-N	221.065	-0.446	50	10	BBGE	
CC(C)c1ocnc1CN(C)C(=O)C(=O)NN	1997725364	CKUJZKDXPDQPKK-UHFFFAOYSA-N	240.263	-0.254	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1997763974	CRIOMQBJOSQMSN-SFYZADRCSA-N	239.279	-0.169	50	10	BBGE	
CN1CCN(CC(F)(F)C(=O)NN)[C@H]2CC[C@H]21	2002913548	BZPCKVLQVIQARF-SFYZADRCSA-N	248.277	-0.610	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1[C@H]2CCC[C@H]12	2004916038	HARPHPOLDCLARD-IUCAKERBSA-N	233.080	-0.609	50	10	BBGE	
COC[C@H](C)N(C)c1nccc(C)c1B(O)O	2004918658	OEFVFDJQCOAPJX-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
CC[C@H]1[C@H](C)CCN1c1ncc(B(O)O)cn1	2004919713	CDXBQWGEXQDIFB-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@H](C)O1	2004936200	WHMQEAYVPYZJLA-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
Cc1nn(C[C@@H]2CCO[C@H]2C)c(C)c1B(O)O	2008416525	AFJWRVCRGHTXDF-UWVGGRQHSA-N	238.096	-0.395	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(C1)CC(C)(O)C2	2011900302	KWSUZPUHPCHKRO-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012895061	FZBZEOHDPBQRJX-OGBGREFGSA-N	241.335	-0.296	50	10	BBGE	
CC12CC(C1)N(c1ncc(F)cc1B(O)O)C2	2014930729	YDKPUOYBHHXNNV-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC23CCOCC3)c1	2021307319	BXZVQRFTIWDDOR-VIFPVBQESA-N	236.080	-0.620	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1c2c(ccc1=O)CCC2	2028052235	OXTZHCVIFIFNEF-UWVGGRQHSA-N	247.298	-0.037	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CCC[C@H]2C[C@H]21	2052474374	ZPORZQDNEKWKFB-IQJOONFLSA-N	247.107	-0.219	50	10	BBGE	
COc1cc(B(O)O)c(C#N)cc1C=O	2060187320	IXHHYKCEYNDTOK-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccn2nncc12	2066088886	KZOADUIZNDGJDZ-UHFFFAOYSA-N	248.290	-0.459	50	10	BBGE	
COCC12CCC(NC(=O)NN)(CC1)CO2	2211923154	CIVKTTAAPXCDKN-UHFFFAOYSA-N	229.280	-0.113	50	10	BBGE	
NNC(=O)C1(CN2CCCOCC2)CCC1	2212248779	FISIKQXHCHCUAC-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
CCC[C@@H](N)CNc1ncccc1B(O)O	2212602405	CXBBOHAPHWTHHF-MRVPVSSYSA-N	223.085	-0.699	50	10	BBGE	
NC1(CCNc2ncccc2B(O)O)CC1	2212604441	WMBYHCAKLJGTIA-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
CC[C@H]1C[C@@H]1CCn1cccc(B(O)O)c1=O	2215323840	HAXCSBCGDCEMOO-UWVGGRQHSA-N	235.092	-0.036	50	10	BBGE	
OC[C@@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217175129	DXKFKKVKPZGZAV-RKDXNWHRSA-N	236.080	-0.666	50	10	BBGE	
CC[C@](C)(CCO)Nc1ncc(B(O)O)cn1	2217177834	NVYOBDXLXTYKNS-SNVBAGLBSA-N	239.084	-0.881	50	10	BBGE	
COC[C@H](C)[C@@H](C)Nc1ncc(B(O)O)cn1	2217178710	ANZWMIBRIWCKAF-JGVFFNPUSA-N	239.084	-0.761	50	10	BBGE	
COC1(CNc2cc(B(O)O)c(C)cn2)CC1	2217183938	LQFZDXUKBZIJIN-UHFFFAOYSA-N	236.080	-0.339	50	10	BBGE	
OB(O)c1ccnc(N2CCCC(F)(F)C2)c1	2217199351	LTBWDYVLYBJKAE-UHFFFAOYSA-N	242.034	-0.003	50	10	BBGE	
CN(C[C@]12COC[C@@H]1C2)c1cc(B(O)O)ccn1	2223625150	CSFNMGDULFOHPL-JOYOIKCWSA-N	248.091	-0.766	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3cc(B(O)O)ccn3)C[C@@H]12	2223631994	DKCWLNVCAUEERJ-CPOMMVLXSA-N	247.107	-0.701	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1c1ccc(B(O)O)cn1	2223645212	UETYXHYFUJPZHS-GXSJLCMTSA-N	249.123	-0.533	50	10	BBGE	
OB(O)c1ccnc(NCc2cccnc2)c1F	2223648136	HUUMJOWSZRYPTN-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
CC[C@@H]1CCNC[C@H]1Nc1ccc(B(O)O)cn1	2223649701	BYHLZCPRRMLAKN-MWLCHTKSSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCO[C@H]2C2CC2)c1	2223674907	NVQXTCQCCSXOMV-JQWIXIFHSA-N	248.091	-0.259	50	10	BBGE	
CN(C)[C@@]1(C)CCN(c2cc(B(O)O)ccn2)C1	2223677905	UXQRZMKFCSSNED-LBPRGKRZSA-N	249.123	-0.708	50	10	BBGE	
O=C(NC1CC(F)C1)C1(B(O)O)CC1	2241474044	VSGLDGKUAAVGHT-UHFFFAOYSA-N	201.006	-0.390	50	10	BBGE	
CO[C@H](C)CNC(=O)c1csc(B(O)O)c1	2243356394	HCZJZUYAUVSPME-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
O=C(NCC1CCC1)c1occc1B(O)O	2243363108	BDPYZKUAEJAJMM-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243364490	XXUWXUOQUIWPLQ-BQBZGAKWSA-N	227.069	-0.731	50	10	BBGE	
C[C@H](O)C1(NC(=O)C2(B(O)O)CCC2)CC1	2243365955	VHCSOBCKHMOKDI-ZETCQYMHSA-N	227.069	-0.587	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@@H](F)C1	2243378092	MKRAEFFJOBXECM-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
C=CCN(CCOC)C(=O)[C@H]1C[C@H]1B(O)O	2243396196	IYBYBZNYYVHQEI-DTWKUNHWSA-N	227.069	-0.490	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]2C[C@@H]2C1	2243399416	LTTDWOOYFBJGRB-UTLUCORTSA-N	221.065	-0.446	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC2CCC1CC2	2243401409	QQXDRMJZEKLBEK-UDNWOFFPSA-N	221.065	-0.303	50	10	BBGE	
CCOCCN=c1cc(B(O)O)c(Cl)c[nH]1	2245913303	PFDCWPCOTCFWTC-UHFFFAOYSA-N	244.487	-0.715	50	10	BBGE	
CC(C)(CC(N)=O)NC(=O)C1(B(O)O)CCC1	2247732198	CZYHMNOACZGSLS-UHFFFAOYSA-N	242.084	-0.846	50	10	BBGE	
CN(C)c1cccc(NC(=O)C#CB(O)O)c1	2247740128	GKNFHXJIBOIUCT-UHFFFAOYSA-N	232.048	-0.294	50	10	BBGE	
O=C(N1CC[C@]2(CCN2)C1)C1(B(O)O)CCC1	2247750878	PGHHYJJEPHWJEZ-SNVBAGLBSA-N	238.096	-0.652	50	10	BBGE	
CC=CCCCNC(=O)c1cc(B(O)O)n[nH]1	2247786153	WQSGYTZNUKNSTP-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CNC1CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247798483	UOBOOGKTRRQVBQ-BMNUFHGDSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1cc(B(O)O)c[nH]1	2247849665	CYALPXLHFHPZBL-ZETCQYMHSA-N	236.080	-0.387	50	10	BBGE	
CN[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247860269	UOBOOGKTRRQVBQ-UTINFBMNSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1OCC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247877159	CNMGJGQZZQCPBU-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(NC[C@]12COC[C@H]1C2)C1CC(B(O)O)C1	2247891599	KTOMTUYFWKOSSY-FOLWWEGKSA-N	239.080	-0.608	50	10	BBGE	
CN(C)CCC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899703	PLKMYTWCBQEQLV-ZJUUUORDSA-N	240.112	-0.741	50	10	BBGE	
CCON(C)C(=O)Nc1cccc(B(O)O)c1	2247970636	ABOFNQMVGDOSFT-UHFFFAOYSA-N	238.052	-0.218	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)[C@@H]1C(=O)O	2248573442	DWEDXYIICCVCFY-ZCFIWIBFSA-N	241.052	-0.685	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2cc(B(O)O)co2)[C@H]1C	2249408602	RFKRRSAXLNKFFH-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
C[C@H]1C[C@]1(C)CNC(=O)c1cocc1B(O)O	2249419652	JNLNQWKKTXALQZ-WRWORJQWSA-N	237.064	-0.265	50	10	BBGE	
CCc1cnn(CC(F)(F)C(=O)NN)c(=O)c1	2250840737	OQZNCYMFYZRQOI-UHFFFAOYSA-N	246.217	-0.569	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1ccncc1B(O)O	2255445211	SJCUCFVIMJAXDP-SECBINFHSA-N	246.075	-0.849	50	10	BBGE	
CNC(=O)c1ccccc1NC(=O)C#CB(O)O	2255468950	JAETUIDEABGDAY-UHFFFAOYSA-N	246.031	-1.000	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(F)c(B(O)O)c1	2255497943	KBMAYTNCWAPYDD-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cccc(C)c1B(O)O	2255736247	JPUQDQOFKBOTBF-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
O=C(c1occc1B(O)O)N1Cc2conc2C1	2255745025	WGBLHPBVGMZUPS-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
C=C=CCCNC(=O)c1c(B(O)O)cnn1CC	2255780559	YGBKZDDZAFOVDB-UHFFFAOYSA-N	249.079	-0.956	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1cc(B(O)O)co1	2258134950	YLHIQEZNUHRXFO-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@@H]2NCC[C@@H]21	2298371881	YOGFKKXFVOXEJP-XKNYDFJKSA-N	238.096	-0.798	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2298375331	FTLCJHUPMPZYSZ-VGMNWLOBSA-N	238.096	-0.750	50	10	BBGE	
C[C@@]12CN(C(=O)[C@H]3C[C@H]3B(O)O)C[C@]1(CO)C2	2298377027	BFXNKDFIUZKQQK-URPMGSGRSA-N	239.080	-0.920	50	10	BBGE	
CC(C)(CCN)Nc1cc(B(O)O)c(F)cn1	2303834696	KKCCIFDTDLGIIR-UHFFFAOYSA-N	241.075	-0.560	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)n[nH]1	2312849786	SYEZWNNTXKGWTR-PRJMDXOYSA-N	249.079	-0.992	50	10	BBGE	
CC1(C)NC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317166412	UXCDMPIBKSFKNX-LLVKDONJSA-N	246.075	-0.633	50	10	BBGE	
Cc1ncncc1Nc1cc(B(O)O)c(F)cn1	2320792878	LSGWXMPKXMMPEQ-UHFFFAOYSA-N	248.026	-0.257	50	10	BBGE	
Cc1nnc(NC(=O)CC(=O)NN)s1	6219048	RDBZJTUTSUAEQT-UHFFFAOYSA-N	215.238	-0.835	50	10	BBGE	
NC(=O)[C@@H]1CCCN(C(=O)NC(=O)CCl)C1	36905932	URPHBEYVDDMELC-ZCFIWIBFSA-N	247.682	-0.341	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)NN	42452331	BWGOHYDIGZNVBI-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
C[C@H](CCl)C(=O)NCCOCCO	54715381	VVPFLZBUDSSVBF-SSDOTTSWSA-N	209.673	-0.014	50	10	BBGE	
CCOC1CCN(CCC(=O)NN)CC1	82468929	ZFRRVVCLLBRGJF-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CCN(CCC(=O)NN)C[C@H]1CCCO1	82469631	NJGSIIWNNWTVDW-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](CCO)C1	125280813	HQIVKLHEFCOWQV-QMMMGPOBSA-N	201.270	-0.929	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCO1	212159769	GOWSTQAVNXLEBR-NSHDSACASA-N	249.075	-0.425	50	10	BBGE	
O[C@H]1C=C[C@@H](O)[C@@H](O)[C@H]1Br	217453966	PAROLDXMOUZNDL-BGPJRJDNSA-N	209.039	-0.598	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC1(C)C	232419547	XRCHLUKPSRQBEZ-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)NNC(=O)c1c(O)cccc1F	236181264	VHBFIPLZVDBZQL-UHFFFAOYSA-N	213.168	-0.156	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H](C)C1	251529929	AHGBLESOJLGYGS-RKDXNWHRSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](CO)OC[C@H]1C	251713881	JOLWTBFNSHMHHX-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@](C)(O)C1	253059796	CPGNKSGMXZKGFY-QXEWZRGKSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(C(=O)NC)C1	300711808	BGAMNRYKVDQYGN-KWQFWETISA-N	242.323	-0.787	50	10	BBGE	
N[C@@H]1CC[C@H](O)[C@H](Br)[C@@H]1O	306153539	BQDSBMUFYKJSPG-DPYQTVNSSA-N	210.071	-0.407	50	10	BBGE	
OB(O)c1cc(O)c(Br)cc1O	306516220	BHAGTQCAABRAFX-UHFFFAOYSA-N	232.826	-0.460	50	10	BBGE	
CCNC(=S)NNC(=O)[C@@H](O)CC	308214923	IORUTRWDPUEANP-YFKPBYRVSA-N	205.283	-0.728	50	10	BBGE	
CCS[C@H]1CCN([C@H](COC)C(=O)NN)C1	382902873	UGAPTZWFJMUSJN-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)C[C@H]1C	384991997	CUGKPNUQVSWIAU-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CC(C)(C)C(=O)NN	395055409	BOEPZRCWNURZFS-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CN(C)C2)C1	398755739	SUHHXIGDUXUPLN-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
CCOCC(=O)NCc1cccc(B(O)O)c1	405008656	DPHFHJIEWSDETN-UHFFFAOYSA-N	237.064	-0.981	50	10	BBGE	
C[C@H](CN(C)[C@@H](CO)C(C)(C)C)C(=O)NN	689789610	UCIHRKPNGDWPEJ-BDAKNGLRSA-N	231.340	-0.049	50	10	BBGE	
CN(C)NC(=O)[C@H]1OCC[C@@H]1C(=O)O	689987209	KHGRKNRNDFNYBC-WDSKDSINSA-N	202.210	-0.931	50	10	BBGE	
OB(O)c1ccccc1OC[C@H]1COCCO1	690667922	SBIMWMXIISREMS-SECBINFHSA-N	238.048	-0.839	50	10	BBGE	
Cc1ccc(Cn2ccc(B(O)O)n2)cc1	694311748	ZOEYTFPKIFEGNV-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@](C)(CO)C1	694663161	VKLLOJOBFMYXSB-FXPVBKGRSA-N	229.324	-0.295	50	10	BBGE	
CN1C[C@@]2(C)CN(CC(=O)NN)C[C@]2(C)C1	706290172	PDTFXEIFYOFBTQ-QWRGUYRKSA-N	226.324	-0.750	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]2(CCOC2)C1	707280394	ZBWWAYPEIXEMRU-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC(O)(C#N)CC1	709392475	XPNHPMKVZPGZFR-DTWKUNHWSA-N	240.307	-0.649	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COCC[C@@H]1Cl	710994876	LNAZNNZWKOGORT-WDSKDSINSA-N	217.660	-0.560	50	10	BBGE	
C[C@@H](CNC(=O)C(=O)NN)[C@H]1CCCCO1	711982894	KDSNTHCYHJDCGA-JGVFFNPUSA-N	229.280	-0.702	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H](F)[C@H](F)C2)c1	714516861	DOBCSFQIGPTMFY-GHMZBOCLSA-N	241.046	-0.142	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1C[C@@H]1C(=O)O	715346716	YHWQAINOQGJERM-WDSKDSINSA-N	201.226	-0.517	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12CCN(CC1)C2	715564995	LJIDWQVNTASKAP-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CN(C)C[C@@H](O)CNS(=O)(=O)CCl	717378416	UHOJYWMZQBTOCH-LURJTMIESA-N	230.717	-0.975	50	10	BBGE	
COCC(=O)NNC(=O)[C@@H]1CCCS1	819653921	SNDGKGJNILRPNQ-LURJTMIESA-N	218.278	-0.324	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-]	1136448192	WRMVTZLMCFCYRE-UHFFFAOYSA-N	242.195	-0.766	50	10	BBGE	
O=C(NNC(=O)c1ccon1)c1cc[nH]n1	1147064719	JAUAZFWJLSPXMU-UHFFFAOYSA-N	221.176	-0.528	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)c1ccnnc1	1299502610	QPVYOLYAMUHWSU-ZETCQYMHSA-N	238.247	-0.744	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1332578621	BTLJBHRSTWSKQC-DMAGGPPCSA-N	210.233	-0.423	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NNc1ncccn1	1441045461	GUYVAEDRWBLUKH-UHFFFAOYSA-N	234.219	-0.029	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NNC(C)=O	1463829209	QZLIRCSPYFNPCD-UHFFFAOYSA-N	214.221	-0.337	50	10	BBGE	
Cn1ccc(NNC(=O)CNC(=O)C2CC2)n1	1472557066	ZDZDCLDREBTAKP-UHFFFAOYSA-N	237.263	-0.611	50	10	BBGE	
COC(=O)c1cnn(C)c1[C@H]1CC(=O)OC1=O	1535676926	JZSBHKKDNHJMJA-RXMQYKEDSA-N	238.199	-0.236	50	10	BBGE	
O=S(=O)(CCl)NCCC(CO)CO	1882603302	QNYMHJDTAZCNOB-UHFFFAOYSA-N	231.701	-0.907	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1cc[nH]n1	1884825744	SHEMNSIACNGQCN-UHFFFAOYSA-N	233.680	-0.070	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC#CB(O)O	1897528865	KEVFMRRWCJEAED-RKDXNWHRSA-N	223.081	-0.200	50	10	BBGE	
C[C@]1(CN2CC[C@@H](B(O)O)C2)CCNC1=O	1902547031	UFYSNDAOCVFDAW-PSASIEDQSA-N	226.085	-0.939	50	10	BBGE	
COCCc1nnc(C=CB(O)O)s1	1904515925	LDWZIPGZQZVNAH-UHFFFAOYSA-N	214.055	-0.248	50	10	BBGE	
C=C(CN1C[C@@H](COC)[C@H](COC)C1)B(O)O	1910317263	OIRFCDUITDVBRF-QWRGUYRKSA-N	243.112	-0.605	50	10	BBGE	
C[C@H](Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NN	1912216884	XSQWHTKAVKDNCE-ZCFIWIBFSA-N	240.219	-0.618	50	10	BBGE	
COCC(=O)NN(CCO)C(=O)OC(C)(C)C	1923386279	BYGVVLNIAINNRP-UHFFFAOYSA-N	248.279	-0.107	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H]2C1=O	1927814457	ZBQQHZPXJREWDG-WHFBIAKZSA-N	219.191	-0.910	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCO1	1927913390	IRYHGIWYTNAMCD-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C)C(=O)NN	1929070437	OCWJDVQKAMGAPY-ZETCQYMHSA-N	200.286	-0.999	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cncn1C	1930246501	DEYIWECNQOWQBE-ZETCQYMHSA-N	211.269	-0.770	50	10	BBGE	
NNC(=O)C1(COC[C@H]2CCOC2)CC1	1931266310	DABTVSIEOLBIRL-QMMMGPOBSA-N	214.265	-0.190	50	10	BBGE	
CCN(C[C@@H](C)O)CC1(C(=O)NN)CC1	1931266713	JHZIFYWSRPNOKR-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CN1C[C@H](O)[C@H](N2C[C@@](C)(CCl)C2=O)C1	1931726046	ONZZPLNYJMWTDI-KHQFGBGNSA-N	232.711	-0.251	50	10	BBGE	
C[C@]1(F)CCCN(C(=O)C(=O)NN)C1	1932007082	KHCPWTIECSPBHA-QMMMGPOBSA-N	203.217	-0.673	50	10	BBGE	
CN(C)C(=O)[C@@H]1COCCN1C(=O)CCl	1934087494	USLFQCUZLVLCER-ZETCQYMHSA-N	234.683	-0.459	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1O	1936089830	FJXWERFGDGMVKK-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)c2cn(C)nn2)C1	1937188615	DUVLKZTZHAUSLZ-BQBZGAKWSA-N	243.698	-0.534	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1938245965	CHLJJWOPDCVURI-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CC1(C)CC[C@H](O)CN1CCCC(=O)NN	1939465382	LTHYCZAGYFWIHF-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
COC1(CCl)CN(C(=O)Cn2cnnn2)C1	1940018043	HQRUXZPSMMLAPY-UHFFFAOYSA-N	245.670	-0.861	50	10	BBGE	
CN(C)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941082831	JRRUMFWJKAFTGP-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CCN(CCCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941084873	ADIRYHOCEUHWOB-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](COC)[C@H]2C1	1944575586	CDFZKQUJZUQBFN-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CC1(C(=O)NN)CC1	1945882151	COMXGKVOXCFCJO-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@@H]1CO	1945883222	VWZLNVCMLSKOOJ-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
COCC(C)(COC)[C@H](N)[C@@H](O)C#N	1952794398	PGLXAQMLJREACX-JGVFFNPUSA-N	202.254	-0.503	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)[C@@H]1COCCO1	1955461067	CVLNYHSDWGIOOT-RQJHMYQMSA-N	243.712	-0.094	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550527	XCWDVOHOUIVHMQ-GWVFRZDISA-N	219.668	-0.434	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@H]2N)CC1	1957822536	PTKCEFWDFREONL-JGVFFNPUSA-N	209.249	-0.789	50	10	BBGE	
O[C@@H]1CN(CCOCCCl)[C@@H]2COC[C@H]12	1958101411	ADKCDJJVZLSPCX-IVZWLZJFSA-N	235.711	-0.067	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F	1958117677	SPFDBHQPCRAPRH-PBXRRBTRSA-N	218.996	-0.594	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)[C@H](C)C1	1959005856	BQXIJLPTKWXGQT-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
O=C1OC[C@H]2CN(C[C@H](O)CCl)CCN12	1961323227	NWOMLKJJHKMHEV-HTQZYQBOSA-N	234.683	-0.278	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@@H]1CCOC1	1961718135	KMAHHMHOBKNGSS-ZCFIWIBFSA-N	228.082	-0.952	50	10	BBGE	
COC[C@@](C)(CC(=O)O)NC(=O)NN(C)C	1975810928	WLKYOLGMTYBMLF-SECBINFHSA-N	233.268	-0.358	50	10	BBGE	
CN(Cc1ncon1)C[C@H]1C[C@H]1C(=O)NN	1976756696	XGOQIQUWAZFLBO-RNFRBKRXSA-N	225.252	-0.873	50	10	BBGE	
CN(CCC(F)(F)C(F)F)C(=O)C(=O)NN	1979502809	PGCDDNQRWHNQAC-UHFFFAOYSA-N	245.176	-0.275	50	10	BBGE	
COC[C@H](O[C@H]1COC(C)(C)C1)C(=O)NN	1981310492	DNVOGNFUWCXYBB-SFYZADRCSA-N	232.280	-0.425	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]1C(F)F	1981409584	OTVHRZJZGDCZSB-ZCFIWIBFSA-N	228.995	-1.000	50	10	BBGE	
CCC(C)(C)N(C)c1ncc(B(O)O)cn1	1981410085	VMODNPRDWBKQNK-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
COC[C@@H](OCCN1CCCC1)C(=O)NN	1982848104	GYIWBNCEDFVXFB-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](F)[C@@H](CO)C1	1983556905	CHRBYMJPHVQICE-IWSPIJDZSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H](NC(=O)N(C)C)c1cc(B(O)O)cs1	1983824539	QNKXRJXTRAKBGK-ZCFIWIBFSA-N	242.109	-0.240	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC[C@@H](C)OC	1984686794	KCOOSZAUJOHLRY-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	1987341850	USVZEUDBBSTKBS-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CN(CCCC(=O)NN)C[C@]12C[C@H](CO1)C2	1990323997	JWSNBZZXMWEQTA-JGZJWPJOSA-N	227.308	-0.133	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)[C@@H]1CC1(F)F	1991327885	SDTPVFZQLHASGY-CAHLUQPWSA-N	231.007	-0.141	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@@]1(O)CCOC1	1991654380	KDATUMPDMLWZGL-SNVBAGLBSA-N	247.678	-0.034	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCC[C@@H]1[C@H](O)CO	1991712037	BQXPXHGQUNECAO-ATXJSMISSA-N	247.678	-0.348	50	10	BBGE	
OB(O)c1cncnc1O[C@H]1CCC[C@@H]1F	1991722020	OTYGYDYRUPLTQO-YUMQZZPRSA-N	226.016	-0.574	50	10	BBGE	
NNC(=O)C12COC(COCC(F)F)(C1)C2	1993891134	MZZOEFNNEOLGBI-UHFFFAOYSA-N	236.218	-0.193	50	10	BBGE	
COC[C@]12C[C@](C(=O)NNC(N)=S)(CO1)C2	1994901202	YWZQNIROAVLUBX-KYZUINATSA-N	245.304	-0.954	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCOC(C)C)n1	2004930315	CKCLIGVUCHUGIB-UHFFFAOYSA-N	240.068	-0.731	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3C[C@@H]3C2)n1	2005017139	AGOWCQKYQLJXIP-RKDXNWHRSA-N	233.080	-0.771	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	2014230117	BUIHDKVRCGBBOM-OUAUKWLOSA-N	240.351	-0.078	50	10	BBGE	
CC12CCOC(Cn3cc(B(O)O)cn3)(C1)C2	2018180225	TWZRLLYLALNSGT-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
COC[C@@]1(C)CCN(CC(=O)NNC(C)=O)C1	2019214465	YQZMCCFPQYQYFO-NSHDSACASA-N	243.307	-0.488	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@](C)(C#N)C1	2019218467	GAOYDQGXJYVBNW-NSHDSACASA-N	238.291	-0.221	50	10	BBGE	
C=C(CN1C[C@@H](COC)[C@@H](COC)C1)B(O)O	2021164954	OIRFCDUITDVBRF-PHIMTYICSA-N	243.112	-0.605	50	10	BBGE	
CN1CC(COc2cc(F)ccc2B(O)O)C1	2022090871	KZUZVPKFNUWKMN-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
Cn1cnc2c1CCN(C[C@@H]1C[C@H]1C(=O)NN)C2	2050967301	NWYMLBUIGLWHLP-DTWKUNHWSA-N	249.318	-0.596	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3CCO[C@@H]3C2)c1	2052033377	HSHIBBCTTJGUMX-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)[C@@H]2CC[C@H]21	2052492799	WGRMRZCVFUPZCC-GHMZBOCLSA-N	247.107	-0.956	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2052494598	OBOPCLDPDURVEO-QPJWQJBDSA-N	244.103	-0.148	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])c(F)cc1B(O)O	2060053488	AVQPCGFJFJEMNI-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)c([N+](=O)[O-])c1	2060209175	ATDJZNYUICCMKZ-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CCc1cc(C#N)c(B(O)O)cc1OC	2060261066	LBHBJJLDMOAERH-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2071239955	FFSVBDKNBQQKHE-KNDBQHFLSA-N	245.087	-0.570	50	10	BBGE	
COC(=O)Nc1ccc(OC)cc1B(O)O	2211850988	SEUZXVOZDSPBNW-UHFFFAOYSA-N	225.009	-0.447	50	10	BBGE	
C[C@@H](CN)SCC1(C(=O)NN)CCOCC1	2212445009	SYQMQQXZTGITEG-QMMMGPOBSA-N	247.364	-0.147	50	10	BBGE	
CCc1nn(C)c(C(=O)NCB(O)O)c1Cl	2212713244	WGUDDBJCVWTKND-UHFFFAOYSA-N	245.475	-0.622	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCC[C@H]1O	2212900825	RLBYKVVSTUNJSL-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C(=O)O1	2214598517	IAAZYLKYWFEILA-MRVPVSSYSA-N	235.048	-0.293	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C[C@H]1CC[C@H]1C(=O)NN	2215776232	LPNFSDVWNXEEAZ-LMLFDSFASA-N	238.335	-0.609	50	10	BBGE	
Cc1cnc(OC[C@]2(C)CCN2)cc1B(O)O	2217167960	RBFQJGRTOFHWDW-NSHDSACASA-N	236.080	-0.799	50	10	BBGE	
CC[C@H](N)CN(CC)c1cc(B(O)O)ccn1	2217173577	SMAQAXHMRXMCAH-JTQLQIEISA-N	237.112	-0.675	50	10	BBGE	
CCC[C@](C)(CO)Nc1ccc(B(O)O)cn1	2217178289	UDVCSKMCOYYLHG-LLVKDONJSA-N	238.096	-0.276	50	10	BBGE	
Cc1nn(C)cc1Nc1ccc(B(O)O)cn1	2217179989	PVGAPJWSAZKTHJ-UHFFFAOYSA-N	232.052	-0.453	50	10	BBGE	
CC[C@@H](CO)N(C)c1nccc(B(O)O)c1F	2217180384	HAUIIYVCBKQRFX-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
CC(C)(CO)CNc1nccc(B(O)O)c1F	2217181148	NLWMBNRRMGTNDN-UHFFFAOYSA-N	242.059	-0.669	50	10	BBGE	
Cc1cnc(N[C@@H](C)C(C)(C)N)cc1B(O)O	2217182332	CFWRTCGLULATAN-QMMMGPOBSA-N	237.112	-0.392	50	10	BBGE	
CC(C)N(C[C@H](C)O)c1ccc(B(O)O)cn1	2217202961	NTELQLOCLVVXAD-VIFPVBQESA-N	238.096	-0.643	50	10	BBGE	
OB(O)c1ccnc(N2Cc3cncnc3C2)c1	2223629656	WDTHPXADCBXUIK-UHFFFAOYSA-N	242.047	-0.928	50	10	BBGE	
Cc1cnc(NC2(C3CNC3)CC2)cc1B(O)O	2223641793	DGKHIDPWRJVPHZ-UHFFFAOYSA-N	247.107	-0.766	50	10	BBGE	
OB(O)c1ccnc(NCc2cccnn2)c1F	2223645143	SJPDYWDYMZLJBA-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
N[C@H]1CN(c2ccc(B(O)O)cn2)C2(CCC2)C1	2223646110	GIYMJXGVGXCYEK-SNVBAGLBSA-N	247.107	-0.779	50	10	BBGE	
C[C@@H]1CCCC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223666989	PMCKCUSRUWUKGH-NXEZZACHSA-N	249.123	-0.184	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1c1ccc(B(O)O)cn1	2223670287	VNIHBEXLFFREON-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
Cc1c(NC=O)ccc(B(O)O)c1Cl	2241556184	URAGQZGSRRGPOU-UHFFFAOYSA-N	213.429	-0.103	50	10	BBGE	
O=C(C#CB(O)O)NCCCOC1CCC1	2243362571	SXMZKRAFRAMPTR-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
CCN(C)C(=O)c1cccc(B(O)O)c1C	2243374899	LRUVYQUNDPRCPH-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
Cc1cc(B(O)O)c(C(=O)N2CCOC2)s1	2243380961	BBKVWGHPSZIXOF-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
C#CCOCCNC(=O)C1CC(B(O)O)C1	2243392677	WBAWUQKFJIXQNP-UHFFFAOYSA-N	225.053	-0.995	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]1CN(C(=O)C#CB(O)O)C2	2243400382	ABPYWWPHSZZZSI-DTORHVGOSA-N	221.065	-0.494	50	10	BBGE	
C=CCCNC(=O)c1cncc(B(O)O)c1	2243407471	SSVZIZZIPJYHNE-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
Cc1sc(C(=O)N2CCC2=O)cc1B(O)O	2243414106	TYPZOYZRJVLKQQ-UHFFFAOYSA-N	239.061	-0.891	50	10	BBGE	
N[C@@H](B(O)O)c1ccc(-n2cccn2)cc1	2243554614	PDBXSZKNCUSDGJ-SNVBAGLBSA-N	217.037	-0.116	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2243752478	IZOZYYZKVWDTOG-LURJTMIESA-N	229.041	-0.780	50	10	BBGE	
Cc1ncnc(O[C@@H](C)C(F)F)c1B(O)O	2244241676	MFFQBXJQWCHNON-YFKPBYRVSA-N	231.995	-0.503	50	10	BBGE	
O=C(NCCC#CB(O)O)C1CC(F)(F)C1	2244546682	OMYPAGSOCUKISV-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
C[C@H]1CCN[C@H]1CSCCOCC(=O)NN	2245081218	KSKOICMLHPYCIJ-IUCAKERBSA-N	247.364	-0.276	50	10	BBGE	
CO[C@@H]1C[C@@H](CNC(=O)C#CB(O)O)C1(C)C	2247737180	DLSJOEOTJMAHCB-DTWKUNHWSA-N	239.080	-0.821	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccoc1B(O)O	2247742024	JLXPQNAXWOWVHD-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
C#CC1CC(NC(=O)c2ccoc2B(O)O)C1	2247747564	PDTUKFLEXWMCQC-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1ccoc1B(O)O	2247747704	RGILTPQUBWFIQK-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
O=C(NC[C@H]1OCC[C@H]1F)C1(B(O)O)CCC1	2247756051	KXTPKBVATYAXGF-HTQZYQBOSA-N	245.059	-0.373	50	10	BBGE	
CN(CCn1cccc1)C(=O)C1(B(O)O)CC1	2247758854	YDIUYRGMCWASPE-UHFFFAOYSA-N	236.080	-0.047	50	10	BBGE	
CN(CCCF)C(=O)c1cncc(B(O)O)c1	2247761326	STLIZWURZVXJNH-UHFFFAOYSA-N	240.043	-0.807	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]1C1CC1)C1(B(O)O)CC1	2247762992	LFCUCAMARIKGIU-RKDXNWHRSA-N	238.096	-0.750	50	10	BBGE	
C[C@@H](N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2247792259	RPOBZDURCRLMFW-HLTSFMKQSA-N	243.112	-0.143	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(CCO)CC1	2247792563	UAXUUMCGHLSHKX-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCCN1CCCC1)C1CC(B(O)O)C1	2247796932	DWYBPJTVXGJFLG-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
O=C(N[C@H]1CCNC12CC2)C1CC(B(O)O)C1	2247804011	DSQSYINFNCLNAB-HACHORDNSA-N	238.096	-0.750	50	10	BBGE	
CN(CCn1cccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247808276	UGUAALBZHWLNNK-IUCAKERBSA-N	237.068	-0.796	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@H]1C[C@H]1B(O)O	2247809801	RKMJTIIISHWKRJ-RHNYIRHQSA-N	235.092	-0.133	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2NCC[C@@H]12)C1(B(O)O)CC1	2247872528	UAUJQTZIVNIFSL-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
C=C1CCN(C(=O)c2coc(B(O)O)c2)CC1	2247872532	UDIIXBIASHUSOR-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247878015	LCSKMABDFRIUBN-MRVPVSSYSA-N	241.096	-0.387	50	10	BBGE	
O=C(NC[C@H]1CC(F)(F)CO1)C1(B(O)O)CC1	2247879064	PWFUJFGGTRVCBC-ZCFIWIBFSA-N	249.022	-0.466	50	10	BBGE	
COc1ccncc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247887550	PGFMCTPYCIGAMA-RQJHMYQMSA-N	236.036	-0.108	50	10	BBGE	
Cc1cc(C(=O)N(C)CCCF)oc1B(O)O	2247891011	VBIMFRPZAKIHJJ-UHFFFAOYSA-N	243.043	-0.301	50	10	BBGE	
CC[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2247892895	JJBLFDQVFVVYAE-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCc1ccnc(O)c1)[C@H]1C[C@@H]1B(O)O	2247897549	URAMZAODFOHASE-YUMQZZPRSA-N	236.036	-0.734	50	10	BBGE	
COCC1(CN2CCC(B(O)O)CC2)COC1	2249352126	AQCLGPCKHBDTOV-UHFFFAOYSA-N	243.112	-0.412	50	10	BBGE	
C=CCN(C(=O)c1cocc1B(O)O)C(C)C	2249415789	IYAJSMFVBTWEOO-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
C#C[C@H](NC(=O)c1coc(B(O)O)c1)C1CCC1	2255453277	PPRHOHZQAJOAHV-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1Cc2conc2C1	2255453784	SIBNRRGZAINEEW-UHFFFAOYSA-N	248.003	-0.897	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H]3C[C@H]3C2)c1	2255510239	UDIUQBCJTYRMDB-AOOOYVTPSA-N	245.087	-0.233	50	10	BBGE	
Nc1cccc(CCNC(=O)[C@H]2C[C@H]2B(O)O)c1	2255568202	KEKCNCBHDMLRKW-WDEREUQCSA-N	248.091	-0.210	50	10	BBGE	
Cc1ccnc(C(=O)N2CC3(CC3)C2)c1B(O)O	2255577181	QXTBYEDHTLADBV-UHFFFAOYSA-N	246.075	-0.694	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2cncc(B(O)O)c2)C1	2255710235	HWWOVNRPLXPRTL-IUCAKERBSA-N	248.091	-0.368	50	10	BBGE	
C#CC1CN(C(=O)c2cc(C)cc(B(O)O)c2)C1	2255736234	JGSYNWLDDVKZMP-UHFFFAOYSA-N	243.071	-0.620	50	10	BBGE	
O=C(NC1CCCC1)c1ccc(B(O)O)cc1O	2255935225	CBMFBXMXMHELSB-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
Cc1ccc(CNC(=O)c2cocc2B(O)O)o1	2258130064	AXNUJRYYKGVKQU-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
C[C@@H](O)[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298166098	RZHDJFCEFKYKHK-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)O2)[C@@H]1C[C@H]1B(O)O	2298371182	BWFPEKAENOSSKN-HOTMZDKISA-N	239.080	-0.325	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1	2303106589	TXWRNNCUVSJSMK-QMMMGPOBSA-N	237.068	-0.004	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306282505	CYNRNXLUGDPEMA-AJBSGBCOSA-N	241.335	-0.154	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC[C@@H]2COC[C@H]2O1	2306828523	NYQUGCLYPFHIIE-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@H]2C3)c1B(O)O	2309538917	DKNDEAPZLZRKIO-UWVGGRQHSA-N	247.107	-0.156	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cc1C#N)[C@@H]1C[C@H]1N	2317211265	JTBUGLYNVTWXCQ-PPKCKEKNSA-N	246.075	-0.647	50	10	BBGE	
C[C@@H](O)CN(C)CC(=O)NNc1ccccn1	51822024	CEOUYVXJJLPHAJ-SECBINFHSA-N	238.291	-0.163	50	10	BBGE	
O=C(N/N=C/[C@@H](O)CO)c1ccccc1O	59382639	XKWMFFDCQSZRHA-IGCGCMMHSA-N	224.216	-0.539	50	10	BBGE	
COCCN(CCO)CCCCCC(=O)NN	133629421	RINQETCKARWMQK-UHFFFAOYSA-N	247.339	-0.523	50	10	BBGE	
COC(=O)[C@H](O)[C@H]1C[C@H](Cl)C(=O)O1	213315528	SUFXXMJBALNFME-VPENINKCSA-N	208.597	-0.557	50	10	BBGE	
Cc1cc(OCc2cnn(C)c2)ccc1B(O)O	216054226	VCNZMYBKKHEYNP-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
NC[C@@H](O)[C@H](CC(=O)NN)c1ccccc1	231495147	FYSGLODIWKGJFM-NXEZZACHSA-N	223.276	-0.530	50	10	BBGE	
CC(C)(O)CNS(=O)(=O)CCCl	232300184	HRRLYZJNKNZAMP-UHFFFAOYSA-N	215.702	-0.085	50	10	BBGE	
CO[C@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@H]1OC	234820128	LIJPGPGLHKYVIE-KXUCPTDWSA-N	245.323	-0.654	50	10	BBGE	
C[C@H](CN1CCCN2CCC[C@H]2C1)C(=O)NN	251100012	MQVXLAZIWWLBMV-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
CC(C)N(CCO)[C@@H](C)[C@H](C)C(=O)NN	252597336	IZCQZLMMQHQVDZ-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](C)(C(N)=O)C1	300533041	RHIWKDPPBYXELN-KWQFWETISA-N	242.323	-0.658	50	10	BBGE	
C[C@H](CC(=O)NN)SCC(=O)N(C)C	300917417	YGRHLTRQDRJFCB-ZCFIWIBFSA-N	219.310	-0.424	50	10	BBGE	
CO[C@@H]1COCC[C@@]12CC(=O)OC2=O	306323653	MLUHEPWWSMKJSB-HZGVNTEJSA-N	200.190	-0.118	50	10	BBGE	
OB(O)c1ccc2cc(O)sc2c1O	306883583	KLVRYSIWLADMLC-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
Nc1cc(B(O)O)cc2sc(O)cc12	306906410	MHFKOYWPFYSISX-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
NNc1cc(CBr)ccc1B(O)O	307133145	WTWPOPVCGJFUBW-UHFFFAOYSA-N	244.885	-0.453	50	10	BBGE	
CN1C[C@@H](NC(=O)CCCl)C(=O)N1	307166759	PURLCPBTPHSCSQ-RXMQYKEDSA-N	205.645	-0.923	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	379006548	GTOAVQJOVDLMDN-KXUCPTDWSA-N	245.323	-0.773	50	10	BBGE	
COC[C@@]1(C)CCN(CC(=O)NN)C1	381396932	UFYJPOSSMSUGAI-VIFPVBQESA-N	201.270	-0.665	50	10	BBGE	
CC(=O)NCCCNS(=O)(=O)CCCl	383447102	AYNJVIRBSTWEJQ-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CC(C)(C)C(=O)NN	395055405	BOEPZRCWNURZFS-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
O=[N+]([O-])c1cccc2oc(B(O)O)nc12	396105990	PNXCCUCRYXHHAA-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
CS(=O)(=O)Nc1cc(B(O)O)ccc1Cl	404869580	BZJILQPAZSESKV-UHFFFAOYSA-N	249.484	-0.609	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cccc(B(O)O)c1	584992930	QGENBHYMMKPANL-QMMMGPOBSA-N	239.055	-0.156	50	10	BBGE	
COCC1(CNCc2cccc(B(O)O)c2)CC1	585045674	LFJQKLLEAUJOHJ-UHFFFAOYSA-N	249.119	-0.117	50	10	BBGE	
C[C@@H](CN(C)C[C@@H](O)C1CC1)C(=O)NN	690157172	XLLKIPKNRFXOFI-IONNQARKSA-N	215.297	-0.685	50	10	BBGE	
N#CC1(O)CCN(c2cc(N)nc(N)n2)CC1	692136980	UVSNKRMBYUFZIN-UHFFFAOYSA-N	234.263	-0.504	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H](CO)C1	696779411	RDYHZBVGHSADOH-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)Nc1nc(C(=O)NNC(N)=O)cs1	700853129	STJBPSICIFLCIF-UHFFFAOYSA-N	243.248	-0.585	50	10	BBGE	
O=C(NCB(O)O)c1cc(=O)c2ccccc2[nH]1	701930972	GOKFCKMNNJUMRX-UHFFFAOYSA-N	246.031	-0.730	50	10	BBGE	
Cc1noc(C)c1CCC(=O)NCB(O)O	702032939	WBVIXYYFRILTIM-UHFFFAOYSA-N	226.041	-0.648	50	10	BBGE	
C[C@@H]1C[C@H](N)CN1CC(=O)NNc1ccccn1	702641047	DGTCORDMNUHGNL-ZJUUUORDSA-N	249.318	-0.054	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H](COC)C1	706718394	YVCSONFQPFZFNK-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@@H]1COC[C@@H]1O	708125051	RWWGAFCWXKFEIV-BBBLOLIVSA-N	245.323	-0.918	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@@H](C)C(=O)NN	710919999	SXBHYMXGFGJLSZ-CSMHCCOUSA-N	201.270	-0.669	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)NC(=O)[C@@H](C)Cl	711209672	XSDUFILWPNCBAM-UHNVWZDZSA-N	235.671	-0.345	50	10	BBGE	
C[C@H]1CCN([C@H](C)CC(=O)NN)CCO1	720474924	PFDFTEMKAAECAK-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CCOCC1CC1	751364992	SPIGXSJKSPFKDK-UHFFFAOYSA-N	200.238	-0.030	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)C(=O)NC(C)C	755892143	LGMQQPGIQHUHLL-QMMMGPOBSA-N	229.280	-0.105	50	10	BBGE	
CC[C@@H](C)C(=O)NNS(=O)(=O)N1CCC1	795301721	BKXRKHVBOQNOML-SSDOTTSWSA-N	235.309	-0.396	50	10	BBGE	
O=C(C[C@H]1CC(=O)NC1=O)NNc1ccccn1	1153263544	ARSRFVZYJJHHCW-SSDOTTSWSA-N	248.242	-0.423	50	10	BBGE	
Cn1ccc(NNC(=O)C(C)(C)C(N)=O)n1	1183389875	TVTLODLCBHBULC-UHFFFAOYSA-N	225.252	-0.625	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cncnc1	1320181897	BEMTULSISYHWGY-UHFFFAOYSA-N	223.236	-0.171	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)N1CC=C(C#N)CC1	1339103169	YHYVSVQFTXGAGQ-VIFPVBQESA-N	224.260	-0.200	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	1464431231	PAUSZWOGFSYKAR-RRKCRQDMSA-N	225.248	-0.438	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)[C@H]2CCCCO2)C1	1641521471	PUWXECFWNKSKTL-SECBINFHSA-N	240.259	-0.318	50	10	BBGE	
O[C@@H]1[C@H](O)CN(CCCCl)[C@H]1CF	1878012198	RCCFWFIKKAPJNN-RNJXMRFFSA-N	211.664	-0.009	50	10	BBGE	
C[C@]1(O)CN(C(=O)CCl)CC[C@H]1O	1883995426	FKULRSHERFPIIF-SVRRBLITSA-N	207.657	-0.431	50	10	BBGE	
O=C(CCl)N[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O	1884552472	BCXUGRPRCFPJDM-DBNIFQIXSA-N	219.668	-0.384	50	10	BBGE	
CO[C@H](C)CCN(C)CCC(=O)NN	1885396279	FZHDYASTLJIQNY-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
NNC(=O)COCCS[C@H]1CC[C@@H]1N	1887486441	RNBCELCJDDTMSB-BQBZGAKWSA-N	219.310	-0.784	50	10	BBGE	
O=C(CCNCCO)N[C@H]1C[C@H](Cl)C1	1891642922	VHXDIVCJAZRDLJ-ZKCHVHJHSA-N	220.700	-0.156	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1CC(=O)NN	1892801077	KTEGOZQXUWOXRT-JGVFFNPUSA-N	201.270	-0.933	50	10	BBGE	
Cn1cnc(CN[C@@H]2COC[C@H]2Cl)n1	1894392768	APSOZVBMOYFBMR-RNFRBKRXSA-N	216.672	-0.089	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCCO[C@@H]32)CC(=O)O1	1895433308	RVWIPOKOADRVJI-RNSXUZJQSA-N	225.244	-0.203	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1[C@H](N)C1(C)C	1901340227	ALFRRAUCHQVBKC-RQJHMYQMSA-N	249.336	-0.718	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCn2cccn2)C1	1902517544	JHJKMSWRIQLYIV-SNVBAGLBSA-N	223.085	-0.178	50	10	BBGE	
Cc1scc(C(=O)N2CCCN2)c1B(O)O	1902866795	CIPGQVYNGRTMEV-UHFFFAOYSA-N	240.093	-0.913	50	10	BBGE	
CSC1CC(Oc2ncncc2B(O)O)C1	1905388772	JAFSGCNDQBWPKG-UHFFFAOYSA-N	240.093	-0.571	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@H](C(=O)NN)C(C)C)C2	1906346158	MFKKDGJBIOZRJD-JBLDHEPKSA-N	241.335	-0.031	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)[C@@H]1C[C@@H]1F	1907455487	JTOHLMFSFAVSOK-MUWHJKNJSA-N	241.002	-0.198	50	10	BBGE	
O=C(C=Cc1cccc(F)c1)NCB(O)O	1911761937	FBORHCBPGSODAE-UHFFFAOYSA-N	223.012	-0.033	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C1COC1	1915657175	JBKIVCCARVLGHN-UHFFFAOYSA-N	226.236	-0.891	50	10	BBGE	
COC(=O)[C@@H](N)CC(=O)N1CC=C(C#N)CC1	1917050238	HLEZXTHVXCDFNT-VIFPVBQESA-N	237.259	-0.441	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@](F)(CO)C2)CC1	1917094890	DYQYFTZOKXAEFR-JTQLQIEISA-N	231.271	-0.837	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1COCCO1	1923407856	JNGRWYAHXGOGFG-BYPYZUCNSA-N	242.153	-0.889	50	10	BBGE	
CCN(CCCl)C(=O)Cn1cnnn1	1928697102	VTYRVWJTBMKFSB-UHFFFAOYSA-N	217.660	-0.240	50	10	BBGE	
C[C@]1(C#N)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936095492	XQGMVNRMMCWLAY-WCABBAIRSA-N	222.292	-0.152	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)CCOCC(=O)NN	1936538552	YKJPHUGRSOHEPS-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)C(=O)N1CCC(CC(F)F)CC1	1939202651	NGZOTYNMEGMEGA-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
CC[C@H]1CCOC[C@H]1OCCOCC(=O)NN	1947168424	IBKONSRRNLGSHX-VHSXEESVSA-N	246.307	-0.175	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](CO)[C@@H](O)C1	1955549773	BATMIOVWJQBKOF-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
CN(CC(=O)NN)Cc1cc(Cl)n(C)n1	1957628948	RBQVLFANTDXMID-UHFFFAOYSA-N	231.687	-0.505	50	10	BBGE	
CCN1CCC[C@@H](N(C)CC(=O)NN)C1	1958202008	YFQFUQZYQGTSFG-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
OB(O)c1csc(O[C@H]2CCCOC2)n1	1961696969	UIIIMOLOKCIJPX-LURJTMIESA-N	229.066	-0.619	50	10	BBGE	
OB(O)c1cnc(OCCC2CC2)nc1	1961713719	UOAZYCIRXJRRQA-UHFFFAOYSA-N	208.026	-0.665	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961917165	SLHDSYSKXRAEMB-SRQGCSHVSA-N	230.695	-0.067	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCCOCC1	1976388498	ZVWKGWVFQSNUMI-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC[C@H](O)CN(C[C@@H](C)C(=O)NN)C1CC1	1978303243	AYRLGUPGNWOAPQ-SCZZXKLOSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC[C@@H](CO)C1	1979230457	GCQZEBSNPMGADI-BBBLOLIVSA-N	227.308	-0.683	50	10	BBGE	
CC(C)(CCN1CCC12COC2)C(=O)NN	1981142663	AHDGKNIWRGPKPG-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
Cc1ccnc(N2CC(CF)C2)c1B(O)O	1981414835	WSKUUCVTOVJTTM-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	1989761461	OISQVOYCRJAQIM-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
COCCOCC12CC(C(=O)NN)(CO1)C2	1993891660	UCWDEQCKJBRHQG-UHFFFAOYSA-N	230.264	-0.812	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C[C@H](C)C(=O)NN	1995336634	FVWKHLDRXBAILB-GUBZILKMSA-N	229.324	-0.031	50	10	BBGE	
CC1(CCC(=O)N[C@@H](CB(O)O)C(=O)O)CC1	1998134769	HHTGJOMCGRLWOA-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H]1[C@H](C(=O)Nc2cc(B(O)O)ccn2)[C@@H]1C	1998448006	KUJJWLZCIHZJEM-LYIWLLOFSA-N	234.064	-0.398	50	10	BBGE	
CN(CC(=O)NN)Cc1ccn2nccc2c1	2002429599	DLRNOROVFVGYPI-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
CC(C)N1CCN(C[C@H](C)C(=O)NN)C(=O)C1	2004289106	KLVOTJQJBFKRDS-VIFPVBQESA-N	242.323	-0.835	50	10	BBGE	
C[C@H]1CC(C)(C)CN1c1ncc(B(O)O)cn1	2004911589	IVIOEYDUMHBCKI-QMMMGPOBSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1N(c2ncc(B(O)O)cn2)CCC1(F)F	2004917110	UPQZGVPBNXXRCT-LURJTMIESA-N	243.022	-0.610	50	10	BBGE	
C[C@H]1CCC[C@H](C)N1c1ncncc1B(O)O	2004919915	FGAZHHKTDHNWDH-IUCAKERBSA-N	235.096	-0.076	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC2(CC(O)C2)C1	2005808924	QPICLGHANAZEBI-HUXNSBQSSA-N	239.319	-0.541	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)[C@@H]2C[C@H]21	2008867853	SHTNQCAPAZUQSF-HTQZYQBOSA-N	248.277	-0.610	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(=O)NC[C@H]1C(C)C	2010569251	LIMLFWXHUYATBQ-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOCCC1(C)C	2011295965	USXPWGJIFCGBDL-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CCc1ccn(-c2ncc(B(O)O)c(C)n2)n1	2012153966	MIXCSAPVMBPDDT-UHFFFAOYSA-N	232.052	-0.787	50	10	BBGE	
Cc1nnc2cc(C(=O)NNCCO)ccn12	2014525663	ZFWKTKQTPOQAIL-UHFFFAOYSA-N	235.247	-0.736	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014825787	SQPFVYSDHFDYNH-DTWKUNHWSA-N	242.323	-0.693	50	10	BBGE	
C[C@H](F)CN1CCN(CCCC(=O)NN)CC1	2015812524	AJEUHZKPJVLMHN-JTQLQIEISA-N	246.330	-0.268	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCC=C2B(O)O)C1	2020057124	RSSCMADNTDKNBJ-FXBDTBDDSA-N	239.080	-0.372	50	10	BBGE	
CO[C@@H]1CCC[C@@H](C(=O)NCC=CB(O)O)C1	2020063621	YDHNQDBOGQIMST-NXEZZACHSA-N	241.096	-0.124	50	10	BBGE	
Cc1cccc(C(=O)NCC=CB(O)O)c1O	2020063680	YPHCJXHRUIUVCQ-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2C[C@H]3C[C@@H](C2)C3)O1	2021433933	CRDZVXLFBLFTHH-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)CC(=O)NNC(C)=O	2026297964	SNZARJNGAFHWRC-UWVGGRQHSA-N	243.307	-0.490	50	10	BBGE	
Cc1cc2n(n1)CCN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2029479352	MJOGUFYJJZZXML-ONGXEEELSA-N	249.318	-0.367	50	10	BBGE	
C[C@@H]1CN(C)CCN(c2ccc(B(O)O)cn2)C1	2052466998	MCDWRENRUNOYJF-SNVBAGLBSA-N	249.123	-0.851	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1c1ncccc1B(O)O	2052491260	JXAXAZIJFGSTPN-ONGXEEELSA-N	249.123	-0.710	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C3CC3)C2)c1B(O)O	2052554508	VMGALNRZTXVADV-SNVBAGLBSA-N	247.107	-0.299	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1CC=CCC1	2058213638	QNFSXASXOHZAGD-UHFFFAOYSA-N	247.063	-0.445	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@]12C[C@H](CO1)C2	2084439842	PBNSJIMDHYVNFI-LYWQIFSTSA-N	247.059	-0.516	50	10	BBGE	
O=C(F)Nc1ccc(Cl)c(B(O)O)n1	2210099987	YJNJZLMOWLZSDL-UHFFFAOYSA-N	218.380	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](F)C[C@@H](O)C1	2210693706	NUTBTEFKJVMWSC-BZNPZCIMSA-N	231.271	-0.983	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C(C)(C)CO	2211827932	QHAHCQIUNFKWNR-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CCN1CC[C@@H](Oc2nc(B(O)O)cs2)C1	2212267742	NCEFFHNAAKGFFC-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
CO[C@@H](C)COc1cc(B(O)O)c(C)cn1	2212599950	PXTVOAQXUIQPRG-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
CC[C@@H](CO)Nc1nccc(B(O)O)c1F	2212605537	GOJXYDPBOJYAHA-LURJTMIESA-N	228.032	-0.917	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CC=CC1	2212614193	BGUCGVXHNUVBME-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
CC1(O)CCN(C[C@H]2CC[C@@H]2C(=O)NN)CC1	2215775252	GIYYDEOLHAXODH-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OCCCCCCN=c1cc(B(O)O)cc[nH]1	2217176099	RGYVWMGBOOCXKS-UHFFFAOYSA-N	238.096	-0.852	50	10	BBGE	
COC[C@@H](Nc1ncc(B(O)O)cn1)C(C)C	2217177923	PCUJOBFEUIQIQJ-SECBINFHSA-N	239.084	-0.761	50	10	BBGE	
COC(CNc1cc(B(O)O)c(C)cn1)OC	2217181536	RKZXDEXZHSYBOD-UHFFFAOYSA-N	240.068	-0.899	50	10	BBGE	
Cc1cnc(N2CC[C@H](C#N)C2)cc1B(O)O	2217181747	UPUUHFBMINJCEV-SECBINFHSA-N	231.064	-0.580	50	10	BBGE	
C[C@]1(COc2cc(B(O)O)ccn2)CCCN1	2217190047	KLOJESQJDFRFKA-LLVKDONJSA-N	236.080	-0.718	50	10	BBGE	
C[C@H](CO)CCCN=c1ccc(B(O)O)c[nH]1	2217196633	HCTKXSNLMLAFTC-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	2217822381	MXFQENQZRHXKHI-BKUVIOGVSA-N	249.314	-0.092	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@H]2Oc1cc(B(O)O)ccn1	2223663843	ZSWVGJWOLRKQTC-GISOBZBCSA-N	248.091	-0.734	50	10	BBGE	
N[C@@H]1CCN(c2ncccc2B(O)O)C2(CC2)C1	2223673650	GXAGBMCHMLBAIY-SECBINFHSA-N	247.107	-0.779	50	10	BBGE	
C[C@](N)(CNc1ncccc1B(O)O)C1CCC1	2223678800	HZNSVFYHNLJINN-LBPRGKRZSA-N	249.123	-0.309	50	10	BBGE	
C[C@@H](SC[C@H]1CCCN1)C(=O)NN	2241290842	MHBAPBLBEKCUBG-RNFRBKRXSA-N	203.311	-0.150	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@H](C)C(=O)NN	2242162280	KWLNRYPIUYDZFZ-CSMHCCOUSA-N	201.270	-0.790	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)oc1C	2243350148	WKYNCLJVLKCYBC-UHFFFAOYSA-N	221.021	-0.979	50	10	BBGE	
CC(C)OCC(C)(C)NC(=O)C#CB(O)O	2243356077	BBOYTFXNGCGINV-UHFFFAOYSA-N	227.069	-0.678	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)s2)CC1	2243357069	QQPGGXGPMMNZTP-UHFFFAOYSA-N	237.089	-0.124	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CCCCC[C@@H]21	2243357463	XCNHZWMPTUUEFX-ZJUUUORDSA-N	221.065	-0.207	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]2C[C@@H]2C1	2243362154	NBBPTAKQLKMAEB-IVZWLZJFSA-N	221.065	-0.351	50	10	BBGE	
CCCOCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243395834	CJPYMRRLWFYZBT-KYZUINATSA-N	229.085	-0.218	50	10	BBGE	
CC1(C#N)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243427683	ZBTSHGLYWJCTPR-ZKCHVHJHSA-N	222.053	-0.389	50	10	BBGE	
OB(O)c1ccc(CO[C@H]2C=CCOC2)s1	2244088649	VCIAAXPHBQGJAQ-QMMMGPOBSA-N	240.089	-0.101	50	10	BBGE	
CO[C@@H]1C[C@H](CNC(=O)C#CB(O)O)C1(C)C	2247737182	DLSJOEOTJMAHCB-RKDXNWHRSA-N	239.080	-0.821	50	10	BBGE	
O=C(C#CB(O)O)N[C@]12CCCC[C@@H]1OCC2	2247740189	HEFUTCKZBXYYCX-ONGXEEELSA-N	237.064	-0.780	50	10	BBGE	
CC(C)(N)[C@H]1CCCCN1C(=O)C#CB(O)O	2247741239	WVUBEVHXHSWZJN-SECBINFHSA-N	238.096	-0.880	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2247742716	SQAWHKFKDFBPBO-MTBHXBHISA-N	235.048	-0.512	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1(C)CC1	2247763257	JSQACCSJYZWOAD-UHFFFAOYSA-N	236.080	-0.765	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1cc(B(O)O)n[nH]1	2247784143	PYKBPGRLGYKHPB-ZETCQYMHSA-N	237.068	-0.896	50	10	BBGE	
CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247791646	ODESSKHHPGFJKS-ZJUUUORDSA-N	238.096	-0.773	50	10	BBGE	
C=CC[C@](C)(CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247797019	FQKZLDZIRHCPOP-KKZNHRDASA-N	241.096	-0.460	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCCO1	2247798079	PZSNTNINYMTWLN-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@]1(NC(=O)C2CC(B(O)O)C2)CCNC1	2247806220	DNEVJFVNNBCPNB-NWGYLPEXSA-N	240.112	-0.502	50	10	BBGE	
CN(C[C@H]1CCNC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247807417	RBCNZSWQUTUSGT-GUBZILKMSA-N	240.112	-0.693	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1F)C1CC(B(O)O)C1	2247808930	NFKFCXYKCIYIFM-GEPGNKONSA-N	245.059	-0.517	50	10	BBGE	
CN(Cc1ccc(F)cc1)C(=O)C#CB(O)O	2247850195	LFGNEOOYRABXKT-UHFFFAOYSA-N	235.023	-0.201	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1C[C@H]1F	2247853177	HKOLVLVWDDYGKX-HTRCEHHLSA-N	241.027	-0.644	50	10	BBGE	
O=C(NOCCF)c1cc(F)ccc1B(O)O	2247868793	YOGOZAOHQGKYIM-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1NC(=O)C1(B(O)O)CC1	2247878376	JLAURYRJKFJCAU-IUCAKERBSA-N	241.096	-0.219	50	10	BBGE	
CCOc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247886866	HHIUPDHGAYLYRW-UHNVWZDZSA-N	240.028	-0.995	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCOC1	2247896281	GCZAIAIHEMCABD-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C2CCC1(CO)CC2	2247897616	VJIGPPUSECRQGV-UVCIYIGYSA-N	239.080	-0.635	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCNCCC12CC2	2247898540	FKKLIJLJUOMCDN-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CN(c1ccncn1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911156	UGYUDTQKMUGIHM-OCAPTIKFSA-N	235.052	-0.308	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247970680	AHYZKVHOIDBWDI-OIBJUYFYSA-N	234.064	-0.104	50	10	BBGE	
C[C@@H](CCN)CCNC(=O)C1CC(B(O)O)C1	2248422754	GNRJBPPJJUFDIK-IDKOKCKLSA-N	242.128	-0.269	50	10	BBGE	
C=C[C@H]1COCCN1C(=O)C1(B(O)O)CCC1	2249065900	DPWTXJNDZRGSDI-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@H]1C2	2249418138	PNWHISDKGLFSDW-CBAPKCEASA-N	235.048	-0.416	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CNCC12CC2	2249971684	VNZWZWQFYKBMHK-HRDYMLBCSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NCCC#CB(O)O	2249998491	JRNYYSQZSPLDPY-UWVGGRQHSA-N	239.080	-0.819	50	10	BBGE	
Cc1cc(O[C@@H](C)C(=O)NN)ccc1C(N)=O	2253334273	ZBBCDVCIWUEOBU-ZETCQYMHSA-N	237.259	-0.149	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C1CC1)c1ccc(B(O)O)o1	2255467972	UPAQZHJIBFFWFF-BDAKNGLRSA-N	249.075	-0.265	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H](CN)c1ccccc1	2255469091	KRRVXSFYLBLYDP-NSHDSACASA-N	246.075	-0.840	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@@H]1CC[C@H]2C[C@@H]21	2255493689	BUHVXMLWFCEWKJ-UJNFCWOMSA-N	248.091	-0.767	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)cn1	2255521430	WQMBAPYQUIQWOJ-KOLCDFICSA-N	246.075	-0.710	50	10	BBGE	
C[C@H](CNC(=O)c1ccc(B(O)O)cn1)C1CC1	2255716150	ASXGDGBIUZNJMY-MRVPVSSYSA-N	248.091	-0.463	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC(CC2CC2)C1	2255716761	UTVKIXODIGDFMQ-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCCC#N)n1	2255726147	SBPFNXWASSNANW-UHFFFAOYSA-N	247.063	-0.897	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H]3CC[C@H]3C2)oc1B(O)O	2255781089	IJJWLWDPPZNXIX-IUCAKERBSA-N	249.075	-0.250	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ncc(B(O)O)cc1C	2257494961	QTZSKAYFGFJDEK-SNVBAGLBSA-N	246.075	-0.789	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1cc(B(O)O)co1	2258137727	AEWYCNLTNQUBLN-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)N[C@H]1C=CCC1	2258667628	JTTHARCCNQJWKW-VIFPVBQESA-N	247.063	-0.399	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@H]1CO	2298165479	DZPRMSJRQBUYHS-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2CCN[C@H]2C1	2298371129	AHJKKCDFNWZAKL-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCOC[C@@H]1F	2298377040	BORMLCORVSLUHL-LURQLKTLSA-N	245.059	-0.565	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCCCO1	2301340430	DUOWQBAGQFQXJM-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
CC1(F)CN(c2ccc(C=O)c(B(O)O)c2)C1	2301450776	IVFVFKXGGSPAAU-UHFFFAOYSA-N	237.039	-0.273	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](O)C12CCC2)C(=O)NN	2303409462	CFHPFMKCTLEXSU-ONGXEEELSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H](O)C2(CC2)C1)C(=O)NN	2303424444	RNKNNZGUSCUQOG-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1B(O)O	2309544235	VYKOQEYVIOBNCQ-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](Nc1cc(B(O)O)ccn1)C2	2313112855	VDZDPJMMJFOBLO-HOSYDEDBSA-N	248.091	-0.259	50	10	BBGE	
CC(=CC(=O)Nc1cccc(B(O)O)c1)C(=O)O	2314012486	XDYQEJZQJOMVRK-UHFFFAOYSA-N	249.031	-0.664	50	10	BBGE	
CCCNS(=O)(=O)c1c[nH]c(C(=O)NN)c1	22159240	NJZYFHTWQIZTAX-UHFFFAOYSA-N	246.292	-0.694	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](CO)C1	82465807	PGZFGPNEHDLQSN-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)CCn1cnc2ccsc2c1=O	82471377	HPNGQSOZPQDWKE-UHFFFAOYSA-N	238.272	-0.162	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)CCl	85088994	OTLZMYREGMIZMQ-RXMQYKEDSA-N	218.640	-0.511	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COc2cccnc2)O1	110565582	ASEFCHWTLNVWIS-NXEZZACHSA-N	237.259	-0.002	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125795759	CQZHPCBHGLEGFP-KJPMQGKISA-N	241.335	-0.296	50	10	BBGE	
NCCNCCS(=O)(=O)CCCl	144790916	JPHYXDDDJCRDPU-UHFFFAOYSA-N	214.718	-0.812	50	10	BBGE	
O=S1(=O)CCN(C[C@H](O)CCl)CC1	157953787	GGYZJYWNXGHGDW-SSDOTTSWSA-N	227.713	-0.684	50	10	BBGE	
OC[C@H]1COCCN1C[C@H](O)CCl	159704627	GUXJGEJBTMITHE-JGVFFNPUSA-N	209.673	-0.721	50	10	BBGE	
C[C@H](CN1CC[C@@H]([C@@H](C)O)C1)C(=O)NN	226495021	HFGQQKLOWUOOKS-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
C=CCOc1ccc(OC)cc1B(O)O	228666146	ACPGAILPJJXKMB-UHFFFAOYSA-N	208.022	-0.060	50	10	BBGE	
CN(N=O)C(=O)NCC[C@H](N)C(=O)O	238293131	FHDPKXFRLZRXHW-BYPYZUCNSA-N	204.186	-0.889	50	10	BBGE	
OB(O)c1cnc(C(F)(F)F)cc1F	238632600	UBSLFPRPJOSUHJ-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1ccccc1F	258946947	ARPHHULWGLKXSL-SECBINFHSA-N	211.240	-0.054	50	10	BBGE	
OB(O)c1nc(F)ccc1C(F)(F)F	307422118	BUZUMLRWDGNSKR-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CC(=O)N[C@@H](CC(C)C)C(=O)B(O)O	308603695	VRKPLPWGAMYSFM-ZETCQYMHSA-N	201.031	-0.882	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)C2CC2)CCCN1	309489853	ICEVEFULUJZNCN-JTQLQIEISA-N	211.265	-0.314	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2CCC1CC2	309517651	WDOVXOPCXKMERF-RTBKNWGFSA-N	227.308	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(F)(F)C1	313441681	NNEOHOQURVHLPK-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@]2(CCN(C)C2)C1	381537379	HGEIZMFGVXNVJX-ONGXEEELSA-N	226.324	-0.608	50	10	BBGE	
O=C(CCO)NN=C1CC(C(=O)O)C1	382108309	JGEZXBADKZMLNO-UHFFFAOYSA-N	200.194	-0.664	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N(C)c1nnnn1C	382195627	YQZRXSGRMAPMKG-SCSAIBSYSA-N	246.658	-0.490	50	10	BBGE	
CNCCS[C@@H](C)[C@H](C)C(=O)NN	382649584	RRIGMFIZKKJDID-BQBZGAKWSA-N	205.327	-0.047	50	10	BBGE	
CO[C@@H](C)CN(C)Cc1nc(C(=O)NN)co1	386996198	PJXJFIGUZFIMDQ-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
CCC1(O)CN([C@H](C(=O)NN)C(C)(C)C)C1	395646887	ZYVMWOIMFZJOPX-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
N#Cc1cc(B(O)O)cc2cc(CO)sc12	396226037	RGRSDNAQGXAVMV-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](C(=O)NC)C1	398472518	GXOFQGBJNAHSOD-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
CCCC(=O)Nc1ncc(B(O)O)s1	404954586	VOZCJLXPWDCYRD-UHFFFAOYSA-N	214.055	-0.439	50	10	BBGE	
NS(=O)(=O)N1CCO[C@@H](Cl)CC1	616665528	ZLEKJQVTYYCLFD-RXMQYKEDSA-N	214.674	-0.523	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CCC[C@@H]1OCC2	687485495	NLALCZKVGDHKJU-XVKPBYJWSA-N	227.264	-0.948	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@]12COC[C@H]1C2	689288705	RPPSSQSIHLXCNI-FXPVBKGRSA-N	227.308	-0.277	50	10	BBGE	
Cc1nn(CCc2nccn2C)c(C)c1B(O)O	694276956	PORVLFKSUAKGID-UHFFFAOYSA-N	248.095	-0.844	50	10	BBGE	
CC(C)c1nc(C(=O)NNC(N)=O)n[nH]1	700865801	YDHVXMGEACGOSY-UHFFFAOYSA-N	212.213	-0.759	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H]1OC	724139099	LAODEXYVDHPPRI-VGMNWLOBSA-N	215.297	-0.136	50	10	BBGE	
CNC(=O)NNC(=O)COc1ccc(O)cc1	746159874	OTFGYBIDZJMXOK-UHFFFAOYSA-N	239.231	-0.269	50	10	BBGE	
N#CC1(O)CCN(C(=O)CNCC2CC2)CC1	821981637	WXFRERVZRXHABA-UHFFFAOYSA-N	237.303	-0.137	50	10	BBGE	
C=CCCOCC(=O)NNc1nc[nH]n1	1183624295	LTNBAUVUCIQLBP-UHFFFAOYSA-N	211.225	-0.160	50	10	BBGE	
O=C(NNc1ncccn1)c1cc(CO)on1	1441044019	ADDLWBWCOHEDSM-UHFFFAOYSA-N	235.203	-0.286	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNc1cccnn1	1566757452	TUSACPJTNNUSBR-XBBYQOBLSA-N	208.221	-0.143	50	10	BBGE	
O=C(Nc1cnoc1)c1cccc(B(O)O)c1	1626619081	UMGLYYJBKVVRCR-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CNNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O	1880030274	KOYBDZAMRDHIBZ-BQBZGAKWSA-N	247.295	-0.489	50	10	BBGE	
N[C@@H](CBr)C1CS(=O)(=O)C1	1880036867	VUKQWUDLMGUAIK-YFKPBYRVSA-N	228.111	-0.247	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCN(C(=O)F)C1	1882783607	HPMJSPABEWEESA-YFKPBYRVSA-N	210.230	-0.301	50	10	BBGE	
O=C(NC[C@@H](O)CO)C1CC(Cl)C1	1883635793	CITHCOKZFJIEHT-KPGICGJXSA-N	207.657	-0.527	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)c1cnn(C)n1	1884831753	TZOWQYJQPJXZED-LURJTMIESA-N	212.640	-0.215	50	10	BBGE	
CCC[S@](=O)N[C@H]1CCC=C1B(O)O	1892925405	UXULBORLXVAAKO-RTHLEPHNSA-N	217.099	-0.250	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C=CS(=O)(=O)C=C1	1893946040	JVDDHCNBFCFULX-ZETCQYMHSA-N	231.277	-0.572	50	10	BBGE	
NNC(=O)C(F)(F)Cn1cc(F)cn1	1894902127	VBJGBBKZEWBYFX-UHFFFAOYSA-N	208.143	-0.353	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)c1cnn(C)c1	1895053112	MJHZLSASSIJYBV-IONNQARKSA-N	223.280	-0.518	50	10	BBGE	
Cc1csc(C(=O)N2CC[C@H]2C)c1B(O)O	1899940386	YNIPPSOOUFNYLH-SSDOTTSWSA-N	239.105	-0.029	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CNC[C@H]1C	1901344921	YEBOFMDYJRWCJE-SFYZADRCSA-N	249.336	-0.845	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@](C)(O)CO1	1901772429	XLBMVCLFCBZJTL-WPRPVWTQSA-N	231.296	-0.467	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](N)CC(=O)O	1901996904	DNFVNEOYKJBQBU-QMMMGPOBSA-N	231.296	-0.058	50	10	BBGE	
C[C@@H](CN1CC[C@@H](B(O)O)C1)CS(C)(=O)=O	1902528609	IXEKNYFKHYVWKX-DTWKUNHWSA-N	249.141	-0.784	50	10	BBGE	
OB(O)c1cc(O[C@H]2CC2(F)F)ncc1F	1903022735	FKBWBXKRORBVIV-LURJTMIESA-N	232.954	-0.313	50	10	BBGE	
C[C@H](CC(=O)NN)n1nc2ccccn2c1=O	1905541556	JVDVTWATKSYPKB-SSDOTTSWSA-N	235.247	-0.563	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC3(CC3)CO2)O1	1908719591	RORLNZSEOWYVDN-BDAKNGLRSA-N	241.291	-0.449	50	10	BBGE	
CC(C)NC(=O)Nc1ncccc1B(O)O	1913672037	YUJRHUDFWBWORB-UHFFFAOYSA-N	223.041	-0.709	50	10	BBGE	
CN(CCC(=O)NN)CC1(O)CCC1	1914572391	ZMNSEHYLNYVUSO-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
CCN(CC(=O)NN)[C@H]1COC(C)(C)C1	1915598340	PHONYAHQYXSSEX-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCCCC1=O	1927912617	YWBLURDNHMFTSQ-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
CC1(OCCNC(=O)NN)CCOCC1	1928484229	CKMNPBZRODWIMV-UHFFFAOYSA-N	217.269	-0.255	50	10	BBGE	
O=C(CBr)N[C@H]1COC[C@@H]1CO	1928736155	RWMUQLYBFDNLIK-WDSKDSINSA-N	238.081	-0.495	50	10	BBGE	
O=C(NNCCO)c1cc([N+](=O)[O-])cs1	1929832530	UQNLJTVLHPPWRU-UHFFFAOYSA-N	231.233	-0.117	50	10	BBGE	
O[C@H](CBr)CN1C[C@@H](O)[C@H](F)C1	1929872134	LOUITICOTOXLTQ-FSDSQADBSA-N	242.088	-0.243	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@@H](F)C1	1932163841	HKJCXDLQRWIKFW-RNFRBKRXSA-N	217.244	-0.379	50	10	BBGE	
COC[C@@H](NC(=O)[C@H](C)Cl)C(N)=O	1932167111	ZNCSBKNVJHYNLM-CRCLSJGQSA-N	208.645	-0.770	50	10	BBGE	
C#CCN(CCO)S(=O)(=O)CCCl	1933490247	QTJRKLWNLYAJPN-UHFFFAOYSA-N	225.697	-0.518	50	10	BBGE	
CO[C@H]1CC[C@@H]2CN(CCC(=O)NN)C[C@@H]21	1935841109	ZUVCRUSQBATOCA-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](C)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1936087369	BFXWTALOLYHULV-LPEHRKFASA-N	229.324	-0.173	50	10	BBGE	
CCn1nnnc1SC[C@@H]1C[C@H]1C(=O)NN	1936091467	PNTPQMHRHORHKU-NTSWFWBYSA-N	242.308	-0.589	50	10	BBGE	
NNC(=O)c1cc(CSCCCON)on1	1936840716	BKGDLMMGKKLGLA-UHFFFAOYSA-N	246.292	-0.208	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NC(=O)[C@@H]2COCCO2)C1	1937191383	TXJFKJFSDXKDNI-CIUDSAMLSA-N	248.710	-0.561	50	10	BBGE	
NNC(=O)CCN1C[C@]23CC[C@]2(COC3)C1	1937254905	RIEUTMFNCJBAGT-PHIMTYICSA-N	225.292	-0.521	50	10	BBGE	
NNC(=O)C(F)(F)CN1C(=O)[C@@H]2CCC[C@H]21	1937415819	RGGSBOROPGRGBY-PHDIDXHHSA-N	233.218	-0.378	50	10	BBGE	
COC1(CNC(=O)C(=O)NN)CCCCCC1	1941181074	QHZRTNKIJKZNBS-UHFFFAOYSA-N	243.307	-0.168	50	10	BBGE	
COC[C@H]1CCCN(CCOCC(=O)NN)C1	1941774366	ICVLBACYWBDIEI-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@H](C)N1C	1941784294	MRQUCAGWGWAKSG-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943085158	PDLZQQOKYPSOAD-ZRUFSTJUSA-N	239.319	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C2(CC2)C1	1944604879	YQYPBBARQBKQJQ-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)[C@@H]2C[C@H]21	1953943091	AXBXBSYGWDMIGH-IWSPIJDZSA-N	204.701	-0.026	50	10	BBGE	
Cn1cc(C(=O)N2CC(Cl)C2)nn1	1954058276	VSUHGIULIIGJGO-UHFFFAOYSA-N	200.629	-0.122	50	10	BBGE	
O=C(CCl)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1954933020	QRALEMDTTCUWDY-BWAGZUPCSA-N	219.668	-0.528	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@H]1C(F)F	1955440546	HHPSFEBVQCKZPI-WDSKDSINSA-N	207.224	-0.191	50	10	BBGE	
N#C[C@@H]1CCCN(S(=O)(=O)N=C=O)C1	1956213200	KVOOOBBXCBTKIX-ZETCQYMHSA-N	215.234	-0.197	50	10	BBGE	
Cc1nc(N(C)C2CC2)ncc1B(O)O	1961706339	RQAULZMWRNASFU-UHFFFAOYSA-N	207.042	-0.937	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@]1(C)CCOC1	1974594841	HSKHLIINQOIKGP-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(F)(F)CCO[C@@H]1CCOC1	1975105056	WKBUSMLMNLUKIR-ZCFIWIBFSA-N	224.207	-0.193	50	10	BBGE	
NC(=O)NN=C1COC2(CCOCC2)C1	1975209592	QVJGUUAFIHZRBV-UHFFFAOYSA-N	213.237	-0.020	50	10	BBGE	
CCC(CC)N1CCN(CC(=O)NN)CC1	1978828155	HYDGFOZMPKTFTN-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2cnn(C)c2C1	1980301263	DNKRWOUUYZEYOM-MRVPVSSYSA-N	223.280	-0.496	50	10	BBGE	
CC(C)CN(C)c1ncc(B(O)O)cc1F	1981469825	YWHWSICPPQOWNJ-UHFFFAOYSA-N	226.060	-0.007	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1987093021	QSUULSMVTSINER-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
C[C@H]1CCN([C@H](C)CC(=O)NN)C[C@@]1(C)O	1989512459	VCSXYPOCWXGIPE-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@@H](C(=O)O)C1	1990345667	HLKLPVDJAKFKQC-RNFRBKRXSA-N	231.252	-0.606	50	10	BBGE	
C=C[C@]1(O)CCCN([C@H](CC)C(=O)NN)C1	1990540954	WSOZLAQSJWUMPQ-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)/C=C/C(=O)Cl)C1=O	1991703720	JXDMTWDOANMUBJ-SDLBARTOSA-N	244.678	-0.003	50	10	BBGE	
COc1sccc1C(=O)NCC#CB(O)O	1992152203	BBSWIFKCOSXYHZ-UHFFFAOYSA-N	239.061	-0.498	50	10	BBGE	
C=C(COC[C@@H](C)N1CCOCC1)B(O)O	1992159171	HEOXOLLPPLAGTF-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
C[C@@H](CN)SCC12CC(C(=O)NN)(CO1)C2	1993882112	RWTRDDWREUWKSS-WFRXLMHJSA-N	245.348	-0.394	50	10	BBGE	
Cc1ccnc(N2CCC23COC3)c1B(O)O	2004917090	UMVBONDRBTUVRN-UHFFFAOYSA-N	234.064	-0.951	50	10	BBGE	
CCOC[C@@H](C)Oc1ncc(B(O)O)c(C)n1	2004929858	OOCYMWYMXIJJDJ-SSDOTTSWSA-N	240.068	-0.731	50	10	BBGE	
Cc1ncnc(N2[C@H](C)CC[C@H]2C)c1B(O)O	2004975292	WVYBTVRTPWFVNF-HTQZYQBOSA-N	235.096	-0.158	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC(F)(F)C2)n1	2005014450	LTLJBPIHSSBYPW-UHFFFAOYSA-N	243.022	-0.690	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C(=O)N(C)C)C1	2008308452	PVCFYXQFBXDAAT-SECBINFHSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980183	RRLRQGOWVCXYQL-OGBGREFGSA-N	241.335	-0.154	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	2015791147	RRTZGTVLGHZKJO-CHWFTXMASA-N	241.335	-0.173	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)CCOCC(=O)NN	2015793021	XXVVSAJZVGPJBQ-ZJUUUORDSA-N	245.323	-0.793	50	10	BBGE	
C=CC1(O)CN(Cc2ccoc2C(=O)NN)C1	2018882636	ARRXQNJKEVTESQ-UHFFFAOYSA-N	237.259	-0.384	50	10	BBGE	
Cc1cnc(N(C2CC2)C2COC2)c(B(O)O)c1	2052627996	UGJVFCQDWMGGCS-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
Cc1ccnc(N(C)c2ccnn2C)c1B(O)O	2052796187	VQUOZYRVHFQXMR-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccccc1B(O)O	2079009168	PFMAQBWHMAOWNG-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	2079515006	LKVFQYRHWQFPSA-IUCAKERBSA-N	248.091	-0.008	50	10	BBGE	
OB(O)c1ccc(COCc2cccnn2)cc1	2080330766	XAKZELQDRPQVQP-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
C[C@H](COC[C@H]1CC[C@H]1C(=O)NN)N(C)C	2211838231	DXGBOKQPEXZMQW-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
COC[C@H](C)CNc1cc(B(O)O)ccn1	2212602646	HJYLHEIFLJENEN-MRVPVSSYSA-N	224.069	-0.544	50	10	BBGE	
CN1CCCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1=O	2215773947	VCQAVSGVERBJFZ-IUCAKERBSA-N	240.307	-0.240	50	10	BBGE	
Cc1ccnn(C[C@@H]2CC[C@@H]2C(=O)NN)c1=O	2215777750	UZGPRQUEULDVSW-IUCAKERBSA-N	236.275	-0.432	50	10	BBGE	
C[C@@H]1OC[C@@H](Nc2ncccc2B(O)O)[C@H]1C	2217179536	MDIVWBKQADFDFX-OYNCUSHFSA-N	236.080	-0.403	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCC[C@@H]2O)c1F	2217183508	IQGZQEWQIYFVSJ-YUMQZZPRSA-N	240.043	-0.774	50	10	BBGE	
CC(C)N(CCN)c1nccc(B(O)O)c1F	2217185722	APHSTOQVGJOGTC-UHFFFAOYSA-N	241.075	-0.926	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3CCO[C@H]32)c1	2217196705	HZHABCWPTMWGOO-IQJOONFLSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C=C[C@H]2C3)nc1	2217202500	KFFGNACWHLEIBL-SCZZXKLOSA-N	231.064	-0.689	50	10	BBGE	
CCN1CC[C@H](OCc2cccc(B(O)O)c2)C1	2222585183	YJADOXNHYCZXHI-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OCC1CC2(CCN2c2ccc(B(O)O)cn2)C1	2223668869	CHLQHQQDVKQCQN-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1ccnc(N2CCO[C@H]3CCC[C@@H]32)c1	2223676303	ZLWBPSSTVNRSDB-QWRGUYRKSA-N	248.091	-0.481	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1[C@H]2CCCC[C@H]12	2224026855	QLOYGMHPFSCTTF-UWVGGRQHSA-N	248.091	-0.641	50	10	BBGE	
CCP1(=O)CCC(N)(B(O)O)CC1	2241516071	WNDBHLSSFZCDGF-UHFFFAOYSA-N	205.003	-0.127	50	10	BBGE	
CS(=O)(=O)C1CC(C(=O)N=C=O)C1	2241659644	LYFANZMSJPNFCO-UHFFFAOYSA-N	203.219	-0.328	50	10	BBGE	
CO[C@@H](CO)CNC(=O)[C@H](C)CCl	2242436333	NDZSOMQACLVORE-RNFRBKRXSA-N	209.673	-0.015	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243350328	ZINNDOISTIBWOM-UHFFFAOYSA-N	222.053	-0.824	50	10	BBGE	
C[C@@H]1CC[C@@H](N(C)C(=O)C#CB(O)O)CO1	2243357255	UBINRQVIABTPNR-RKDXNWHRSA-N	225.053	-0.972	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2C)oc1B(O)O	2243377925	JKJXHONELMZPEO-VDTYLAMSSA-N	223.037	-0.594	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(C)COC1	2243381381	FPQDJYKWLUNTOP-OCAPTIKFSA-N	227.069	-0.513	50	10	BBGE	
CCC=CCNC(=O)c1cc(B(O)O)c[nH]1	2243405111	ZTUBZRBCJYFEOQ-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1csc(B(O)O)c1	2243408264	KAJBLLKZWAOGBE-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CC2)[C@H]1CO	2243409446	IAYWWMUTIKBYSM-ZETCQYMHSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CO1	2243411245	QLTDJOQGSHQZSD-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C(=O)c1csnc1B(O)O	2243411822	APZSSQRTUKEOFY-VDTYLAMSSA-N	240.093	-0.697	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1sncc1B(O)O	2243414941	LDTGMRDPAFKEIU-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
CN(CCCCCO)C(=O)[C@H]1C[C@H]1B(O)O	2243427394	UWPXRLCUNHMHHU-DTWKUNHWSA-N	229.085	-0.530	50	10	BBGE	
CC(C)(C)CNC(=O)c1cocc1B(O)O	2244206039	QUOCQCGHTXSTIL-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)[C@H]3O)CC1	2244299480	DUIOFXZHHUHQEA-AYMMMOKOSA-N	225.292	-0.931	50	10	BBGE	
C[C@@H]1N(C(=O)C(=O)NN)C[C@@H](C)OC1(C)C	2244836252	GCTQASYKBWZOGF-RQJHMYQMSA-N	229.280	-0.609	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@@H](C)[C@@H](C)C(=O)NN	2245131954	IQNWDBVJYXPOQN-KATARQTJSA-N	229.324	-0.154	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913572	UGWKQQIQCZFEGC-YUMQZZPRSA-N	242.471	-0.386	50	10	BBGE	
CCCOCCNC(=O)c1ccc(B(O)O)o1	2247738235	ORIQRGKMGGRARY-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
C[C@@H]1CNC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247755443	QAAZXCORBNXUNU-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247756217	RYGNVKBENLHJFQ-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
Cc1ncc(CCNC(=O)C2(B(O)O)CC2)o1	2247758326	UZTPDKZDZMKDMT-UHFFFAOYSA-N	238.052	-0.351	50	10	BBGE	
CN(C(=O)c1ncc(B(O)O)cc1F)C1CC1	2247758756	XDJSJFBYBPZAAH-UHFFFAOYSA-N	238.027	-0.865	50	10	BBGE	
CC=CCNC(=O)c1c(F)cccc1B(O)O	2247761069	QLPZSHANLLOEGD-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247798761	WYKCKLVJECKJPJ-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
Cc1ccncc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247807120	PYNXNEVGABMIGB-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
O=C(N[C@H]1CCOC[C@@H]1F)C1CC(B(O)O)C1	2247808932	NFKFCXYKCIYIFM-PEBLOWIWSA-N	245.059	-0.517	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1B(O)O	2247810151	VFDVKJSGVJPYRA-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
CC=C=CCCNC(=O)c1ccc(B(O)O)o1	2247846647	KAMFDKJVCGLGLC-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1occc1B(O)O)C2	2247874326	LGGSXAAMWIGODI-CPCISQLKSA-N	235.048	-0.559	50	10	BBGE	
C=C[C@@]1(O)CCN(C(=O)C2(B(O)O)CCC2)C1	2247877119	CCEIFBKIHLIFON-SNVBAGLBSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CNC2)C1(B(O)O)CC1	2247879940	WXPHWEFBKUQTKG-KCJUWKMLSA-N	238.096	-0.748	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCC[C@H]1O	2247887878	SMJKCHCUORXHLD-XFWSIPNHSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCCN1	2247892782	HVOCBOOYOCABTR-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@H]2C[C@H]2B(O)O)o1	2247894075	CANYHHGGUAJFFF-JGVFFNPUSA-N	238.052	-0.229	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896362	YQYUTUHMPWMENL-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
NCC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247899176	LCEZXDIEKGMSIH-LPEHRKFASA-N	240.112	-0.563	50	10	BBGE	
CCOCCOCCNC(=O)[C@H]1C[C@@H]1B(O)O	2247899618	OTVNNTXQRXHFOA-IUCAKERBSA-N	245.084	-0.981	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247900429	WRMZVCGJPPCBFW-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](F)CNC(=O)Nc1cccc(B(O)O)c1	2247945985	CWYNANLEMLJLTN-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
O=C(C(F)F)N1CCc2cc(B(O)O)ccc21	2248414878	QTQBPSATGZTCLJ-UHFFFAOYSA-N	241.002	-0.479	50	10	BBGE	
CN(CC1COC1)C[C@@H]1CC[C@H](C(=O)NN)O1	2249014026	OIXSXCHFUOFQHR-VHSXEESVSA-N	243.307	-0.898	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CCC[C@H]1C(F)F	2249164788	NSSPLPBHJRWJQT-JGVFFNPUSA-N	245.034	-0.201	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)cc1	2249306926	DGDJRCCLOWNWBR-QMMMGPOBSA-N	239.055	-0.204	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1cc(B(O)O)co1	2249415771	ISMSENUJPBSGAX-UHFFFAOYSA-N	234.020	-0.783	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC(C2CC2)C1	2255450798	ZGGYMHCSEVAXKN-UHFFFAOYSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ncncc2B(O)O)C1	2255521167	SRVSCTPYIQVVFY-HTQZYQBOSA-N	249.079	-0.925	50	10	BBGE	
Nc1ccc2c(c1)CC[C@@H]2NC(=O)C#CB(O)O	2255672023	ZVLOYNYGTFZQJA-NSHDSACASA-N	244.059	-0.612	50	10	BBGE	
C[C@@]1(CNC(=O)c2cc(B(O)O)c[nH]2)C=CCC1	2255680184	LGBVLQLOXBPKBD-GFCCVEGCSA-N	248.091	-0.219	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1F	2255719773	NCXNLXYOVJHQDE-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@H]1B(O)O	2298369389	SJMDQJHFLPVMBY-UFMRAMJRSA-N	239.080	-0.875	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1CC1(C(=O)NN)CC1	2299338899	WMLHPNUEMMDPPQ-ZJUUUORDSA-N	239.319	-0.232	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@H]2F)cc1B(O)O	2301421709	YDPGBBBXXGPWAJ-LDYMZIIASA-N	237.039	-0.051	50	10	BBGE	
C[C@@H]1CC2CC(Cn3cc(B(O)O)cn3)(C2)O1	2303095922	YXLATNBEIYXKIL-FKTRJACZSA-N	236.080	-0.480	50	10	BBGE	
O=C1[C@@H](N2CC[C@H](B(O)O)C2)CCN1C1CC1	2303105026	LWDYBKZUOMLTLU-WPRPVWTQSA-N	238.096	-0.702	50	10	BBGE	
C[C@@H](CCO)N(C)c1cc(B(O)O)c(F)cn1	2303848182	VMXNSHBJFJJUBB-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CCCO1	2317201432	OUYIVJVXKIRMIS-NSHDSACASA-N	247.059	-0.204	50	10	BBGE	
CCC[C@H](CN)Oc1ccc(B(O)O)cc1C#N	2317206414	NWHVZRSZRYFIQX-LLVKDONJSA-N	248.091	-0.256	50	10	BBGE	
O=Cc1ccc(OC[C@@H]2C=CCN2)cc1B(O)O	2317312986	PMZYALSICYGYTN-JTQLQIEISA-N	247.059	-0.914	50	10	BBGE	
Nc1cc(O)nn1C(=O)NCCCl	34246349	YEOYCECRFUAKHJ-UHFFFAOYSA-N	204.617	-0.033	50	10	BBGE	
NC(=S)NNC(=O)NCC1CCC1	47053463	DBCIZGHOGZEHOT-UHFFFAOYSA-N	202.283	-0.166	50	10	BBGE	
Cn1nnnc1N1CCCN(CCCl)CC1	71064418	GIUJOUKVDDFPTN-UHFFFAOYSA-N	244.730	-0.039	50	10	BBGE	
CCCN1CCN([C@@H](C)CC(=O)NN)CC1	82465989	LJDGDWIUWVFITA-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=S)cs1	83590848	GMLFNDWJMOKFPB-UHFFFAOYSA-N	216.291	-0.070	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@@H]1CCOC1	134790812	RPFMJUOUYKVYGH-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CCCn1nccc1NC(=O)NNC(=O)CO	183310663	NLZSKAWKXFJPNU-UHFFFAOYSA-N	241.251	-0.562	50	10	BBGE	
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NN)C1	202635414	TWSJAOFEDPFMOG-ZETCQYMHSA-N	245.279	-0.388	50	10	BBGE	
CC1CCN(c2cncc(B(O)O)c2)CC1	203614283	LIMVNAKNYOPSFC-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223071417	VXKREPXTCDZOER-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	227100887	YWFMCIDOXDWMFI-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
O=C1CN(C2CCS(=O)CC2)CC(=O)O1	229280950	TWIIMFIKSDSUOR-UHFFFAOYSA-N	231.273	-0.717	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCC(=O)NC	233354897	NYBUZVOAIVKZKK-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
COC(=O)[C@@H](I)CN	234573266	NLANVKVJFCFAOD-VKHMYHEASA-N	229.017	-0.078	50	10	BBGE	
CS(=O)(=O)O[C@@H]1COC[C@H]1Cl	238376190	LVYJUNHEDWAEBF-RFZPGFLSSA-N	200.643	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H](O)CCCO	238419374	QRWDUDNASLOFLT-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
CCOC(=O)[C@H](C)N(NC(N)=O)C(C)=O	238798166	XSGYIBGTFONIME-YFKPBYRVSA-N	217.225	-0.630	50	10	BBGE	
CCN1CCN([C@H](C)C(=O)NN)C[C@H]1C	250315703	MLFQGXYAQHQDHB-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@H](C)C1)C(=O)NN	253178068	GZUUZTVHLYFEGA-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
CN1CCC[C@@H](C[C@@H](N)C(=O)NN(C)C)C1	258946840	AOMPBQTWHIBZKR-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
O=S(=O)(CCCl)N1CCOC[C@H](O)C1	307183078	OXXYSVVLYTWHMJ-SSDOTTSWSA-N	243.712	-0.752	50	10	BBGE	
O=C(O)[C@H](O)[C@H](Cl)[C@H](O)CCl	307663222	XAHWGQOCEBZFQN-BXXZVTAOSA-N	203.021	-0.361	50	10	BBGE	
C[C@H](N)C(=O)OCCSS(=O)(=O)O	308195887	MMDDWJNHMMCHPT-BYPYZUCNSA-N	229.279	-0.587	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](CO)CC1	378815800	BSKXQDVQQNECJF-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
N#Cc1ccc2scc(B(O)O)c2c1CO	396228126	UJGOILAHSIYYAE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1cc(C=O)c2c(B(O)O)csc2c1	396274546	MNAGCSZOVDZFFD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=Cc1ccc2sc(B(O)O)cc2c1CO	396330832	CKGFOCIYLIUFRZ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(C)(CO)CC1	402731918	CXRGVLCSWRVHQA-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
O[C@H]1C[C@H]2CN(CCCl)CCN2C1	405219909	MDRDQAGCLOUCPT-IUCAKERBSA-N	204.701	-0.024	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1	584988640	CANYCMAZJBIHKQ-GZMMTYOYSA-N	233.076	-0.105	50	10	BBGE	
N#CC1(O)CCN(CCn2cncn2)CC1	686012491	QYBQQQGDUWEJFO-UHFFFAOYSA-N	221.264	-0.371	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CCO)CC1CC1	690928562	YYDXMFCYLILDJJ-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CCN(Cc1nc(C(=O)NN)co1)C[C@@H](C)O	692179125	ZSMHHUOQRHOFAN-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)n1ccc(C(N)=O)n1	695062527	RFDUQZOBDSFENL-MRVPVSSYSA-N	239.279	-0.441	50	10	BBGE	
NC(=O)NNC(=O)c1ccnc(F)c1F	700866448	ULIBSWWYJXOIBM-UHFFFAOYSA-N	216.147	-0.327	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cn(C)nn1	701999333	GCDILNVFITUROV-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
OB(O)c1ccn(CCC[C@@H]2CCCO2)n1	703687204	KVENHUGRSKQAMC-SECBINFHSA-N	224.069	-0.478	50	10	BBGE	
OB(O)c1ccc(OCC23CC(CO2)C3)cc1	716094391	PPWUPBCGTMDBBI-UHFFFAOYSA-N	234.060	-0.076	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(CC(=O)NN)C1	721776339	ICYJNKHSLUJHCO-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](C(C)(C)O)C1	721777648	MUZYHSYNWDNXOO-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	722221155	VULNHHHTDDYTRI-XKNYDFJKSA-N	238.287	-0.147	50	10	BBGE	
C[C@@H]1N=CC(CNS(=O)(=O)CCl)=N1	725678745	IDWIVMZOUSGXNS-RXMQYKEDSA-N	223.685	-0.027	50	10	BBGE	
COc1ccnc(NNC(=O)Cn2ccnc2)n1	742244230	YRJNKTHLZOAGOF-UHFFFAOYSA-N	248.246	-0.175	50	10	BBGE	
NC(=O)[C@H]1C[C@H](NC(=O)NNc2ccccn2)C1	858773764	QNFUDDYJXFSADG-ZKCHVHJHSA-N	249.274	-0.028	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)c1ccnnc1	1142447206	LWYOVBXNZSTCOF-LURJTMIESA-N	224.220	-0.728	50	10	BBGE	
O=S(=O)(CCCl)NC1[C@@H]2COC[C@@H]12	1253567378	RJELTVBROFIVCY-PHDIDXHHSA-N	225.697	-0.211	50	10	BBGE	
NC(=O)CCC(=O)NNc1ccc(F)cn1	1303325820	CMKNWQNXYQDYQG-UHFFFAOYSA-N	226.211	-0.071	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNc1nc[nH]n1	1306853627	YPXYHQFAHIGQKS-MRVPVSSYSA-N	211.225	-0.425	50	10	BBGE	
Cc1nnc(NNC(=O)c2cn(C)cn2)n1C	1335313414	IJIWYCWEMHGUNU-UHFFFAOYSA-N	235.251	-0.386	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)Cn1ncnn1	1440726366	KVPKTZMJRIDPCN-UHFFFAOYSA-N	242.239	-0.771	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNc1ccncn1	1449875345	OFSJFTGVJUTBHW-TYWZFMJISA-N	208.221	-0.143	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)[C@H](C(=O)O)[C@@H]1C	1614489016	KJCZPNBVFPDREP-PBXRRBTRSA-N	201.226	-0.389	50	10	BBGE	
CN1CC[C@@H](C(=O)NNC(=O)c2ncccn2)C1	1626776484	UKUQTGSSJHFFBK-MRVPVSSYSA-N	249.274	-0.811	50	10	BBGE	
CC[C@@H](CO)C(=O)NNC(=O)c1cnsn1	1634277830	IRCPDHZTRVQMSY-YFKPBYRVSA-N	244.276	-0.682	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1ncccn1	1639386284	GSEGGPJCBWGDIV-ZZZKRKDRSA-N	236.231	-0.825	50	10	BBGE	
O=S1(=O)NCCN1C[C@H]1C[C@H]1Cl	1881363869	BLNVZVKLIFKPBD-PHDIDXHHSA-N	210.686	-0.236	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H](CO)[C@@H](C)O	1881838611	UUPHSLLDTCDZEC-VQVTYTSYSA-N	209.673	-0.138	50	10	BBGE	
O=C=NCCN1CCS(=O)(=O)CC1	1882620332	YKFADSAYQALHFT-UHFFFAOYSA-N	204.251	-0.947	50	10	BBGE	
NOCCS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1883567086	MOESGRIFLNVFIW-RITPCOANSA-N	228.701	-0.577	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NCB(O)O	1884890835	YQLJSEZRTNFKEJ-FFWSUHOLSA-N	206.985	-0.594	50	10	BBGE	
CN(C)NC(=O)[C@H](N)CP(C)(C)=O	1886395719	LHLOQMBZFVYMTA-ZCFIWIBFSA-N	207.214	-0.471	50	10	BBGE	
O=S1(=O)CCNN(C[C@@H]2C[C@H]2Cl)CC1	1893119714	QETKHZTXMSIELG-JGVFFNPUSA-N	238.740	-0.151	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893470635	VHNJHKXOYCNJGR-XAMCCFCMSA-N	218.684	-0.547	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@]2(CO)C1	1894283725	QJKAUWJVPWALOT-GXSJLCMTSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)NN(C)S(C)(=O)=O)NC1	1901377924	UWHMRUFKJOZDLO-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
COC[C@@H](OCc1ccncc1)C(=O)NN	1901614206	WOPWISNVUURDQB-SECBINFHSA-N	225.248	-0.397	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3C[C@H]32)ncc1F	1903006370	SBZNDRVFULDGTJ-IMTBSYHQSA-N	222.028	-0.501	50	10	BBGE	
Cc1nc(O[C@H]2C=CCC2)ncc1B(O)O	1905221687	KWDGZEQAQCOXII-QMMMGPOBSA-N	220.037	-0.438	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2C[C@@H](C)C(=O)NN	1908900378	ZBIMDRPBSLFKIR-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CCN(CC(=O)NN)S(=O)(=O)C(C)(C)C	1913445652	JWBPDBZZIYDNGK-UHFFFAOYSA-N	237.325	-0.574	50	10	BBGE	
CCC[S@@](=O)Nc1ncccc1B(O)O	1913617278	IXYTYTQKGVHEEC-OAHLLOKOSA-N	228.082	-0.753	50	10	BBGE	
COC[C@H](N=S1(=O)CCCC1)C(=O)NN	1913893267	HJZBLVIUVMCLPE-ZETCQYMHSA-N	235.309	-0.747	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@H](O)CN2)CC1	1917111809	GSNRKOQHLSKXHI-NXEZZACHSA-N	221.260	-0.609	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)CCN)CC1	1928977291	WHYCRCBTLCJDKY-SECBINFHSA-N	213.281	-0.953	50	10	BBGE	
CC1(F)CN(CC2(C(=O)NN)CC2)C1	1931260205	HQMYWCAOTIVODV-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
COC1(CO)CN(S(=O)(=O)CCl)C1	1935346648	CZBFITIIPPIRPA-UHFFFAOYSA-N	229.685	-0.794	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C(=O)[C@H]1C	1938233253	PAWAOXAYYNIADI-SFYZADRCSA-N	225.292	-0.129	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1941083502	RLVYJYBFEUVBHL-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941088369	PXNYNAYTNZRCJY-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CCC(CCO)CC2)CC1	1945890063	ZQKLICSWHQRUDA-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](N)[C@H]1C	1946651186	XBWWPMAJMBSLPZ-SOCHQFKDSA-N	242.323	-0.789	50	10	BBGE	
CCC[C@H]1COCCN1CC(=O)NN	1956765692	JNBNZMKICXPHNV-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@](O)(CN)C1	1957256752	OREJXDBHUWOVBQ-BDAKNGLRSA-N	217.700	-0.097	50	10	BBGE	
CCC1(N(C)CCOCC(=O)NN)CC1	1961124092	BZJRFCIZZCHLGF-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C(C)C)n1	1961717898	HVLIRWZPMAJCCI-UHFFFAOYSA-N	209.058	-0.691	50	10	BBGE	
CN(c1nc(B(O)O)cs1)[C@H]1CCOC1	1961718134	KMAHHMHOBKNGSS-LURJTMIESA-N	228.082	-0.952	50	10	BBGE	
O=S1(=O)C[C@@H](Cl)[C@H](N=c2cncc[nH]2)C1	1974998070	IWGBLDYNFXWHMQ-RNFRBKRXSA-N	247.707	-0.285	50	10	BBGE	
C[C@H]([C@@H]1COCCO1)N1CC(=O)OC(=O)C1	1976574364	WSTXOZSNZBEDMU-SFYZADRCSA-N	229.232	-0.824	50	10	BBGE	
C[C@@H](CN1CCC12CC(CO)C2)C(=O)NN	1976885586	JQSSCRLDEPMSGL-SILCLGDVSA-N	227.308	-0.541	50	10	BBGE	
CCC[C@H](C(=O)NN)N(OC)[C@@H]1CCOC1	1978748734	AXDKBIYYSFHOMA-RKDXNWHRSA-N	231.296	-0.203	50	10	BBGE	
OB(O)c1cncnc1SC[C@H]1CCCO1	1981454339	HSSWMHLIKKYBFR-SSDOTTSWSA-N	240.093	-0.573	50	10	BBGE	
CN(CCO)Cc1ccc(C(=O)NN)nc1	1983344849	RHEHSNDQBLPDJQ-UHFFFAOYSA-N	224.264	-0.891	50	10	BBGE	
C[C@H]1C[C@@]1(N)C(=O)N1CCC(O)(C#N)CC1	1984165313	UWHXSSGVOKQFFO-KWQFWETISA-N	223.276	-0.399	50	10	BBGE	
Cc1ncn(C)c1CN1CC(=O)OC(=O)C1	1987998521	NYQSXDYGQRKUMP-UHFFFAOYSA-N	223.232	-0.386	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CS[C@@H](C)C1	1990746270	VCXXAAHUGCAMLH-IONNQARKSA-N	245.348	-0.021	50	10	BBGE	
CC(C)OCC(=O)N[C@@H]1CCC=C1B(O)O	1991326787	KPXNQXBEDNCTDV-SECBINFHSA-N	227.069	-0.372	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@]12CCOC[C@H]1C2	1991328828	GQKLDWPFEFQSKM-PSASIEDQSA-N	225.053	-0.903	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CCC[C@H]2F)nc1	1991722660	UWFUQYMJSMGIRV-SFYZADRCSA-N	226.016	-0.574	50	10	BBGE	
COC[C@](C)(CN(C)CCC(=O)NN)OC	1992136203	PMKQAHAMBBWCJE-JTQLQIEISA-N	233.312	-0.650	50	10	BBGE	
Cc1cnccc1C(=O)NCC#CB(O)O	1992147064	YNPIRNFNYOTACO-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C[C@@H](CN1CC(=O)N(C2CC2)C1=O)C(=O)NN	2004007359	XBCPPSLMAJEOEK-LURJTMIESA-N	240.263	-0.961	50	10	BBGE	
COc1cncc(Cn2ccc(B(O)O)n2)c1	2004588100	QPXKVCIFOCMYQY-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
C[C@H](CN1C[C@H](CO)CC(C)(C)C1)C(=O)NN	2004908459	CGANEUMMVNCRGS-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CC[C@H]2COC3)nc1	2004915386	YTYXBQRAROKQJH-UWVGGRQHSA-N	234.064	-0.871	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)c1ncccc1B(O)O	2004935146	KTISIHWPHUGPLQ-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(N2CC[C@@H](CF)C2)ncc1B(O)O	2004974580	MJTGSKHRXZVSJF-QMMMGPOBSA-N	239.059	-0.739	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@@H]32)c(F)c1	2005015839	GKRDPUXVWQMWHX-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)[C@H]1C[C@H]1F	2006986529	DTVSMCHGLZHLHN-WCBMZHEXSA-N	237.039	-0.659	50	10	BBGE	
OB(O)c1cnc(OC2CC3(CCC3)C2)nc1	2011106355	YMUJDKGIYKFOGE-UHFFFAOYSA-N	234.064	-0.132	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)O	2012843086	WXVWVDNFUYEMGF-SASSHKSSSA-N	239.275	-0.129	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2016362505	SJIJGUSVYCLGOQ-DMEYHIBBSA-N	239.319	-0.421	50	10	BBGE	
Cc1cnc(O[C@H]2CCN(C)C2)c(B(O)O)c1	2021067355	FFPQFEWPXDZQJM-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
COC[C@H](O[C@@H]1CN2CCC1CC2)C(=O)NN	2021067970	LGFGGYJJEDUXKS-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccccc1B(O)O	2022196048	FYHLNVDNYXDBTD-SNVBAGLBSA-N	233.076	-0.105	50	10	BBGE	
CO[C@@H]1CCN(CCC(=O)NN)C[C@@]1(C)OC	2023277650	BHDSQSZUUDYGEA-MWLCHTKSSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@]12CC[C@H]1C2	2039756967	YIUUHSZNYFDQAN-GXFFZTMASA-N	245.087	-0.217	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cn2)no1	2040763356	OWSXFLUXEZPDGL-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(C3CC3)C2)n1	2050245655	VIZNALYGHNBMHS-UHFFFAOYSA-N	249.318	-0.135	50	10	BBGE	
CN1CCC[C@H](N(C)c2ccc(B(O)O)cn2)C1	2052472373	LBZSZOMJENHBRQ-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@@]1(C)CCOC1	2055448489	NABKGYQKTWWOBR-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ncnc2c1ncn2C1C[C@@H]2C[C@H]2C1	2055741460	UDCNWMIFIHEJFN-BQBZGAKWSA-N	244.063	-0.523	50	10	BBGE	
Cn1ncc(C(=O)NN)c1OCC1CC1	2060001697	BUGUZCWKMCSZDZ-UHFFFAOYSA-N	210.237	-0.188	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2COC[C@@H](C2)C1	2068704648	RUEJOIAYNUZOBS-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
COCOc1c(OC)ccc(B(O)O)c1F	2069785311	PECYRACAHBHIFJ-UHFFFAOYSA-N	230.000	-0.503	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@@H]1C1CC1	2071769532	OPNNSIZFMATSJI-GHMZBOCLSA-N	247.107	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN1CCc2nnccc2C1	2074937600	NICUYWUUZSXYSU-UHFFFAOYSA-N	249.274	-0.998	50	10	BBGE	
COc1c(F)c(C=O)cc(B(O)O)c1F	2080829514	NZLHUNHAPBECET-UHFFFAOYSA-N	215.948	-0.534	50	10	BBGE	
CC(C)(CN)CNc1ncccc1B(O)O	2212602770	JNUVXYJKZJGJAS-UHFFFAOYSA-N	223.085	-0.842	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@@H]2CF)c1	2212603584	PWYBRTHNLJZRHB-SECBINFHSA-N	224.044	-0.300	50	10	BBGE	
C[C@H]1COC[C@H]1Oc1cc(B(O)O)ccn1	2212607365	KHGCGNPYIVSLMY-IONNQARKSA-N	223.037	-0.825	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)C1CCC1	2212613407	VHUUPBIIVYIVGU-ZETCQYMHSA-N	221.069	-0.243	50	10	BBGE	
C[C@H]1CC[C@H]1C(=O)Nc1ccc(B(O)O)cn1	2214991826	MUPNAUCUWKYFOV-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
CC[C@@H](N)C[C@H](C)Oc1ncccc1B(O)O	2217171134	ATAMJFMAOUXUSW-DTWKUNHWSA-N	238.096	-0.344	50	10	BBGE	
CC(C)(C)OCCN=c1ccc(B(O)O)c[nH]1	2217173936	VHJVUMOYOOYJPZ-UHFFFAOYSA-N	238.096	-0.590	50	10	BBGE	
Cc1cc(CNc2ccc(B(O)O)cn2)no1	2217180417	HLCNYKJPTSYEOA-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
COC(C)(C)[C@@H](C)Nc1ncc(B(O)O)cn1	2217180948	MJBUJOUDTOTWEK-SSDOTTSWSA-N	239.084	-0.618	50	10	BBGE	
CCn1cc(Nc2cc(B(O)O)ccn2)cn1	2217183742	NOUVGQQMIXMGIZ-UHFFFAOYSA-N	232.052	-0.279	50	10	BBGE	
C[C@@]1(CCO)CCN1c1ccc(B(O)O)cn1	2217184360	OTPIMUDAYWAUHA-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
N[C@H]1CCC[C@H]1COc1ncccc1B(O)O	2217186933	QNDJHHRWHHDYIL-WPRPVWTQSA-N	236.080	-0.732	50	10	BBGE	
Cc1cnc(OC2(C)CC(N)C2)cc1B(O)O	2217190917	BAAURAOFQDMFGX-UHFFFAOYSA-N	236.080	-0.672	50	10	BBGE	
N[C@H]1CC12CC(Nc1cc(B(O)O)ccn1)C2	2217195945	BCYGWRSFJNDQDM-YUCVTWSNSA-N	233.080	-0.947	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccoc1	2217199257	KZIZQISFKRGOSC-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CCC[C@@H](O)CCNc1cc(B(O)O)ccn1	2217203783	ADRRXEZRTVOXGM-SNVBAGLBSA-N	238.096	-0.276	50	10	BBGE	
C#CC[C@H]1CCN(c2ccc(B(O)O)cn2)C1	2217204272	HNSXKVGAZCSYFI-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
CC(=O)[C@H]1CCCN1Cc1cccc(B(O)O)c1	2220071696	XNHZJTOKSYZNKY-CYBMUJFWSA-N	247.103	-0.080	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2ccc(B(O)O)cn2)N1C	2223637435	FQQJDWJJGJCLMN-MWLCHTKSSA-N	249.123	-0.344	50	10	BBGE	
Cc1cnc(NCc2cnccn2)cc1B(O)O	2223643233	SXIBXWCPGSOTDS-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
C#C[C@H]1CCCN(c2nccc(B(O)O)c2F)C1	2223644732	MYKUWWQSQKVFQC-VIFPVBQESA-N	248.066	-0.250	50	10	BBGE	
C#CC[C@H](COC)Nc1cc(B(O)O)c(C)cn1	2223648319	JVRXOYWOUWGMSZ-SNVBAGLBSA-N	248.091	-0.480	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1CCN	2223667101	NFYZTTAXZWBWGS-VHSXEESVSA-N	249.123	-0.818	50	10	BBGE	
O=C(NCc1cnc[nH]1)C1(B(O)O)CCC1	2243346822	DGQAEIXTTCJXEF-UHFFFAOYSA-N	223.041	-0.577	50	10	BBGE	
O=C(NC1CC(F)C1)c1coc(B(O)O)c1	2243347573	NYDNJSWPUBDMOX-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
CC1=CCN(C(=O)c2coc(B(O)O)c2)C1	2243348156	UPVIOZSFKYTMLR-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C[C@@H](CCNC(=O)C#CB(O)O)P(C)(C)=O	2243357050	QKJCFNARCSHYKG-QMMMGPOBSA-N	245.024	-0.481	50	10	BBGE	
C=CCNC(=O)c1cccc(F)c1B(O)O	2243366974	LJHWKGQFPHGUJE-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
CCCN1CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243380981	BLXVYYUSRKMMOA-IUCAKERBSA-N	226.085	-0.940	50	10	BBGE	
CN[C@H](C)CCNC(=O)C1CC(B(O)O)C1	2243397278	YFKYAZFKLGYNAS-AFPNSQJFSA-N	228.101	-0.646	50	10	BBGE	
CC(C)(C#N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243404574	QLWODZDVDXKETE-ZKCHVHJHSA-N	224.069	-0.095	50	10	BBGE	
CCOCCNC(=O)c1csc(B(O)O)c1	2243406607	BJIDMAAJKREPAX-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
Cc1csc(C(=O)NCCCF)c1B(O)O	2243414670	GGTICTRUNFLOQE-UHFFFAOYSA-N	245.084	-0.174	50	10	BBGE	
CN(C)C1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243427208	RUZOGDRJLLMKKL-OCAPTIKFSA-N	226.085	-0.988	50	10	BBGE	
CO[C@@H](C)CSc1nc(C)ncc1B(O)O	2243648513	BOJRXDZWKNHUNY-LURJTMIESA-N	242.109	-0.408	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)CC(=O)O	2243753545	VHOHFFLWLFFODM-ACZMJKKPSA-N	229.041	-0.924	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@]1(C)C[C@@H]1C	2247732098	BSJLHOJREFKABM-UPONEAKYSA-N	237.064	-0.204	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCOCC12CCC2	2247741690	DERQPVLMNLDKLN-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
C[C@H]1CC[C@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247751312	WDNDIBXGGUOULR-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1CCCNCC1)C1(B(O)O)CCC1	2247753545	AMUCKUOSRNIZLL-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
NCCCC1CN(C(=O)C2(B(O)O)CCC2)C1	2247756052	LVEDPUGWMHOAIZ-UHFFFAOYSA-N	240.112	-0.419	50	10	BBGE	
O=C(Nc1ncccn1)c1occc1B(O)O	2247758232	UIKRZLKAEHNLDO-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785226	HUIQVKYAYKKCGB-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)C2CC2)oc1B(O)O	2247789183	RFEGBTKFIAEEPN-SSDOTTSWSA-N	237.064	-0.204	50	10	BBGE	
N=c1ccc(NC(=O)[C@H]2C[C@H](B(O)O)C2)c[nH]1	2247792237	RKXPFHXRPJLHHL-LJGSYFOKSA-N	235.052	-0.314	50	10	BBGE	
C[C@@]1(CN)CCN(C(=O)C2CC(B(O)O)C2)C1	2247798925	YIJRJAJZBAFSOA-AMUVOQDHSA-N	240.112	-0.563	50	10	BBGE	
C[C@H](CCCCCO)NC(=O)[C@@H]1C[C@H]1B(O)O	2247799085	ZOQJXUVLVHRPPI-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCCO1	2247800797	SWFXSZXCZQHZDM-JLIMGVALSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247803668	CHMMVPGBZOIIII-KATARQTJSA-N	241.096	-0.531	50	10	BBGE	
C[C@H](CN1CCCC1)NC(=O)[C@@H]1C[C@H]1B(O)O	2247809016	XCZZQDCXPZJGPS-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
C=CC[C@@H](CO)CNC(=O)C1CC(B(O)O)C1	2247810060	UJFNQICUCPNZSH-XNWIYYODSA-N	241.096	-0.460	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850352	NHINEPWEUJFXNN-QMMMGPOBSA-N	234.064	-0.657	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2247851067	CLRBWWRTCVEQQD-ACLDMZEESA-N	243.018	-0.591	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1ccoc1B(O)O	2247866828	TVDYOCUDZDCJHE-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C[C@H]1CNCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247871570	DIAQIZLAENFAIJ-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1CNC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2247873448	JQGRFDDTLITAQP-DTWKUNHWSA-N	240.112	-0.645	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@@H](C)F	2247873530	CZGCVACEBOCSMK-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CC1CC(C)(NC(=O)c2cc(B(O)O)n[nH]2)C1	2247885255	ICQMJDPHSNHYDU-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
C[C@]12CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@@]1(CO)C2	2247895666	BFXNKDFIUZKQQK-YKDSUIRESA-N	239.080	-0.920	50	10	BBGE	
NCCN(CC1CC1)C(=O)C1CC(B(O)O)C1	2247911765	YIRCWJFZTAXKCA-UHFFFAOYSA-N	240.112	-0.563	50	10	BBGE	
O=C(O)[C@H]1C=C[C@@H](NC(=O)C2(B(O)O)CC2)C1	2248587308	OAOGBJNPKVQTHM-NKWVEPMBSA-N	239.036	-0.861	50	10	BBGE	
CC(C)C1CN(C(=O)c2cocc2B(O)O)C1	2249424461	SUECWHCRQKUOGW-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
NNC(=O)C(=O)NC[C@@]12CC[C@@](CF)(C1)OC2	2251805352	SDTHHLPSPHSCCF-ZJUUUORDSA-N	245.254	-0.999	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1coc(B(O)O)c1	2255456559	PWGIOISTQBJIOI-CABZTGNLSA-N	249.075	-0.026	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255459254	DGVHHJHOPKEAIK-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
C=CC[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2255481390	HAGBMLLIAPHHCO-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
Cc1ccnc(C(=O)N2C[C@H](C)[C@H]2C)c1B(O)O	2255573443	MTHNAERQNTYRJC-DTWKUNHWSA-N	248.091	-0.450	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@H]1C[C@@H]2C[C@@H]2C1	2255668881	GFHUHRUXFVDDCQ-DIYOJNKTSA-N	248.091	-0.435	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)c1cn[nH]c1	2255732758	AKGAQILIZNPSAY-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(B(O)O)cc1O	2255951415	FJIVIJVDVMCOJK-UHFFFAOYSA-N	247.059	-0.480	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1ccc(B(O)O)o1	2257072258	UKYIMONYHMFMDL-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1cc(B(O)O)co1	2258138367	JEVYGLNDWNTKEO-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375273	CMGZEIGZONTBEO-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298462918	KNTUKLDNZIEGEW-IBNKKVAHSA-N	241.052	-0.924	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2298463106	PVKAOUPFISJKPK-DKXJUACHSA-N	241.052	-0.924	50	10	BBGE	
CN1CC(C)(C)[C@H]1COC[C@@H]1C[C@H]1C(=O)NN	2299035789	RHEVMJBFKZQEDC-IVZWLZJFSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1C[C@@H]2C[C@@H]2C1=O	2300385772	XOORMEWELQHDIO-KATARQTJSA-N	237.303	-0.129	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1CCO1	2301347102	XUHYDFZNMKWFJL-SNVBAGLBSA-N	232.048	-0.561	50	10	BBGE	
CN1CCO[C@@H](CN2CC[C@](C)(B(O)O)C2)C1	2303097144	MEVJIZFOGVRLRT-MNOVXSKESA-N	242.128	-0.744	50	10	BBGE	
OB(O)c1cc(Nc2cncnc2)ncc1F	2303847286	GTVFCBDWYIMCME-UHFFFAOYSA-N	233.999	-0.566	50	10	BBGE	
C#C[C@H]1CCN(c2ccc(B(O)O)cc2C#N)C1	2317162865	MHFNXJPHYBIFDM-JTQLQIEISA-N	240.071	-0.302	50	10	BBGE	
CC(C)CNC=C(C#N)C(=O)NCC(=O)O	2324946165	BWUXOHKFZZUSMU-UHFFFAOYSA-N	225.248	-0.160	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)C(N)=O)cc1C	5942596	IOHLMEIYCSENPC-UHFFFAOYSA-N	235.243	-0.450	50	10	BBGE	
NNC(=O)C(=O)N(CCO)c1ccccc1	58849798	XDYDSMOLBSPCOC-UHFFFAOYSA-N	223.232	-0.998	50	10	BBGE	
NNC(=O)CNCCCN1CCCCCC1	58851723	HTZNNAKUHSMAHF-UHFFFAOYSA-N	228.340	-0.168	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](CO)C1	82465805	IMQYHEZNPJQRHD-MRVPVSSYSA-N	201.270	-0.929	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCOCC1	82469355	WQJPTSPBPZYVFR-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](CSc1nccc(=O)[nH]1)C(=O)NN	82472236	ULQXWGMNFISSOP-RXMQYKEDSA-N	228.277	-0.512	50	10	BBGE	
Cn1cc(OC[C@@H](O)CO)c(=O)cc1CCl	108236707	HYFYLWRBHXNSII-QMMMGPOBSA-N	247.678	-0.144	50	10	BBGE	
CCN(CCCO)CCCC(=O)NN	124935676	OQFKISZXSUYELL-UHFFFAOYSA-N	203.286	-0.539	50	10	BBGE	
O[C@@H]1[C@H](CCl)O[C@H](CCl)[C@@H]1O	210773748	FRMQBZPOJJJUAQ-GUCUJZIJSA-N	201.049	-0.047	50	10	BBGE	
C[C@@H](Br)C(=O)NCc1nnn[nH]1	235061477	ZQRAYBLSAVNNLT-GSVOUGTGSA-N	234.057	-0.401	50	10	BBGE	
C[C@@H](CSc1nccnc1N)C(=O)NN	235139438	UJSKEXLZLLSQKX-YFKPBYRVSA-N	227.293	-0.223	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC[C@H](C)O	253031664	SEBLMQFJKGBYFM-IUCAKERBSA-N	217.313	-0.152	50	10	BBGE	
Nc1cc(-c2ccc3c(c2B(O)O)OCO3)no1	258315958	HKMISHYOFZRMEL-UHFFFAOYSA-N	248.003	-0.668	50	10	BBGE	
CC(C)NC(=O)CS[C@@H](C)C(=O)NN	300914602	XUKHJJBOFXQTDG-LURJTMIESA-N	219.310	-0.377	50	10	BBGE	
NC(=O)NN=C1c2ccccc2C[C@@H]1O	308675875	PHFOICXTYXLWLP-QMMMGPOBSA-N	205.217	-0.024	50	10	BBGE	
COc1cnn(Cc2cc(B(O)O)ccc2C)c1	313949188	DSDZYJPSBJEXEF-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CSCCOC[C@H]1CC[C@H](C(=O)NN)O1	378692884	CLEVJMFQRHANKO-HTQZYQBOSA-N	234.321	-0.097	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@@H](O)CC1	378791637	NWFRZQDAGIFFTR-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
C[C@@]1(CO)CCN(CCC(=O)NN)C1	381363136	KUAFAZMSNWAFSQ-SECBINFHSA-N	201.270	-0.929	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CN2CCC1CC2	382416444	MTWUOZOBUZTXSO-MNOVXSKESA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](CN(C)[C@H](C)C(C)(C)O)C(=O)NN	382942057	JICMCHRQZUFJST-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
C[C@@]1(O)C(=NNC(N)=O)CC[C@H]1C(=O)O	384185672	JRIYTNCQDUWDTE-NVNXEXLPSA-N	215.209	-0.744	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)[C@H]1C	385586638	AFHDHVPIKQRJQL-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H](CO)[C@@H](C)O	387507700	DVNAFQVFNFMAHA-RRKCRQDMSA-N	209.673	-0.281	50	10	BBGE	
O=S(=O)(CCl)NCCCc1nn[nH]n1	392642042	ZEIZXDZZBRDGQU-UHFFFAOYSA-N	239.688	-0.752	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cccc(CO)c1B(O)O	396054595	JIDRCTZNOKKSJJ-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
CC(=O)Cc1c(B(O)O)cccc1C(=O)O	396129938	QPFYYRXCOGCAEH-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
N#CCCc1cc(/C=C/C(=O)O)ccc1B(O)O	396132180	IOXPMSXIRRSDSL-GQCTYLIASA-N	245.043	-0.080	50	10	BBGE	
O=Cc1csc2ccc(B(O)O)c(CO)c12	396330698	CAFWKSSATBCAOZ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1ccc(B(O)O)c2cc(O)sc12	396334108	BROOLLGLYMVSHF-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F	396468632	YPGSJNJFMFWNLO-SFYZADRCSA-N	248.997	-0.711	50	10	BBGE	
NNC(=O)CN1CCC(CCO)CC1	401035652	YTOZDQYHJJTRRN-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
C[C@H]1COC[C@H](C)N1CCC(=O)NN	688937831	VRONUHFQCFUPMJ-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CO[C@H](C2CC2)C1	691781586	WDOWTLXSBXIBQI-ZJUUUORDSA-N	227.308	-0.134	50	10	BBGE	
CCO[C@H](CO[C@@H](COC)C(=O)NN)C1CC1	703564712	YTCYPFGBIDQYET-ZJUUUORDSA-N	246.307	-0.177	50	10	BBGE	
Cc1cc(NC(=O)c2cnc[nH]2)ccc1B(O)O	709748235	JZQJARGWAILTHA-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(CCl)c1ccc2c(c1)=N[C@@H](O)N=2	725593192	XODYGYGLQSLFDE-VIFPVBQESA-N	210.620	-0.363	50	10	BBGE	
O=C(NN=CC[C@H]1CCOC1)[C@@H]1COCCO1	765581491	QRSDHVRVNAQISP-UWVGGRQHSA-N	242.275	-0.070	50	10	BBGE	
O=C(CO)NNC(=O)CSC1CC1	1161080395	IMMWFGOPVUQNMG-UHFFFAOYSA-N	204.251	-0.978	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cn(C2CCC2)nn1	1349472640	JJHYSBKFHLKHKX-UHFFFAOYSA-N	248.250	-0.122	50	10	BBGE	
C=CCNC(=S)NNC(=O)c1cnn(C)n1	1538841319	MOWVLPUURHDBKT-UHFFFAOYSA-N	240.292	-0.890	50	10	BBGE	
Cc1cccnc1NNC(=O)CCc1nn[nH]n1	1567601597	IIGHPTUCMGFIQS-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CNC(=O)O1	1882701377	OSTXPLBNHJYWKP-WHFBIAKZSA-N	206.629	-0.162	50	10	BBGE	
O=S(=O)(NOCCCl)c1nc[nH]n1	1883026219	KATHZIGSKNHEFC-UHFFFAOYSA-N	226.645	-0.747	50	10	BBGE	
NC(=O)C1(NC(=O)/C=C/C(=O)Cl)CC1	1893497190	CWEONZSFDHEMOL-OWOJBTEDSA-N	216.624	-0.558	50	10	BBGE	
CCCS(=O)(=O)N(C)[C@@H](C)CC(=O)NN	1893853537	BFQGLJHKCVCBHV-ZETCQYMHSA-N	237.325	-0.574	50	10	BBGE	
CCN1C(=O)CN([C@H](C)CC(=O)NN)C1=O	1894133109	HWGFSBHUBVDGGK-ZCFIWIBFSA-N	228.252	-0.961	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2[C@@H](O)C[C@H]2C1	1898238774	SVMYFBCQUMYLTG-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
CN(NC(=O)[C@]1(C)CCN1)S(=O)(=O)C1CC1	1901342957	SXFOUIVTFGTBEE-VIFPVBQESA-N	247.320	-0.806	50	10	BBGE	
COC[C@H]1CCCN([C@H](C)CC(=O)NN)C1=O	1905574130	VYPKDBCTRGDQBO-RKDXNWHRSA-N	243.307	-0.360	50	10	BBGE	
CO[C@H](C)COC[C@@H]1CCC[C@H](C(=O)NN)O1	1909804993	KAGFBADWZWUTCG-KXUCPTDWSA-N	246.307	-0.035	50	10	BBGE	
COc1cc(OC)c([C@H](N)B(O)O)c(OC)c1	1912278225	SWUQAJRREJSSEY-JTQLQIEISA-N	241.052	-0.276	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC=O	1923390465	HEYFPSSTYOJSCT-ZCFIWIBFSA-N	231.252	-0.323	50	10	BBGE	
COC[C@](C)(O)C(=O)NNC(=O)C(F)(F)F	1923390480	ADRMZPGJANXOIX-LURJTMIESA-N	244.169	-0.907	50	10	BBGE	
C[C@](O)(C(=O)NNC(=O)C(F)(F)F)C1CC1	1923442135	OZAUHLOZHULSMA-SSDOTTSWSA-N	240.181	-0.143	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC(O)C2)C1	1928569743	LZKDHNPQYPWHNN-QMMMGPOBSA-N	213.281	-0.788	50	10	BBGE	
CC(C)(NC(=O)C(=O)NN)[C@H]1CCCO1	1930754835	VOTJZKWPZUWKLP-ZCFIWIBFSA-N	215.253	-0.950	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1[C@H](C)C(=O)NN	1934982022	WOEKOJUZTPCCRF-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H]1CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936091493	PZUDITYXXQKIAH-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@H](CO)C2)[nH]1	1937002646	NMZZBFJBKCUTJE-IZLXSQMJSA-N	243.698	-0.372	50	10	BBGE	
CO[C@](C)(CCl)CNC(=O)Cn1cnnn1	1937160593	XFKFKHKVKPCSIM-MRVPVSSYSA-N	247.686	-0.567	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)S(=O)(=O)C1	1938232601	LDRGHMCCWLVVIJ-ZETCQYMHSA-N	247.320	-0.962	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCn2ccnc2C1	1941087243	AXTLWEFOGQUPAX-IUCAKERBSA-N	235.291	-0.675	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1941121462	IJJRUYYAZZFMFF-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)COCCn1nnc2ccccc21	1941780348	ORUGKLVKKITQOR-UHFFFAOYSA-N	235.247	-0.562	50	10	BBGE	
C[C@H](CN1CC[C@@H]([C@@H]2CCOC2)C1)C(=O)NN	1947535007	CNDVOWLHIYRGCQ-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCC[C@@H](N)C1	1950190830	HLFSRVIVHVLRDT-ZJUUUORDSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](O)CCC1(C)C	1950226249	UPJSZWSBBIVBJQ-SECBINFHSA-N	243.307	-0.611	50	10	BBGE	
O=S(=O)(CCCl)N1CC=C[C@H](O)C1	1954835257	OZRRTCWXSOBIIR-ZETCQYMHSA-N	225.697	-0.212	50	10	BBGE	
C[S@@](=O)C[C@@H](NC(=O)NN)C(C)(C)C	1955279136	VSIBRAXYOHCCTB-RWBAJPLHSA-N	221.326	-0.048	50	10	BBGE	
CC[C@@]1(CO)COCCN1C(=O)NN	1956680288	CUPCTLNTRPGHBW-MRVPVSSYSA-N	203.242	-0.957	50	10	BBGE	
C[C@@H](N=[S@@](C)(=O)N1CCCC1)C(=O)NN	1960619009	UGTKQHRTAWXVJK-KWKYVRJSSA-N	234.325	-0.527	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H]1C[C@@H]1CCl	1962199724	KYGBGULXLUMWTL-RQJHMYQMSA-N	229.671	-0.336	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C1(F)CC1	1964510950	SJRUFXDKADPTLM-LURJTMIESA-N	201.006	-0.436	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cc(Cl)n(C)n1	1979405147	LODLUEMZFHQVIY-ZCFIWIBFSA-N	245.714	-0.116	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)c1c[nH]c(=O)cn1	1979657489	FQURIIWZFSTZTJ-VDTYLAMSSA-N	243.650	-0.494	50	10	BBGE	
COC[C@]1(C)COCCN1[C@H](C)C(=O)NN	1980189815	OLBVLQYPXZAGFZ-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
CCCN(OC)c1ncc(B(O)O)cc1F	1981468501	CXRSVAMJBCGUTD-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
CN(CC12CC(CCO1)C2)C(=O)C(=O)NN	1984460692	UKXIAAIHWOVTNL-UHFFFAOYSA-N	227.264	-0.996	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2COCC[C@@H]21	1989937659	ZYNFOJBVTXSPRF-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2C[C@H]2CO1	1991328882	HEFPWPDFIKRXCM-VGMNWLOBSA-N	225.053	-0.904	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@]12CNC[C@H]1COC2	1991447458	BINUNCSLTSISGN-FTYOSLGDSA-N	244.722	-0.034	50	10	BBGE	
CNC(=O)N(C)Cc1cc(C)c(B(O)O)s1	1993789298	NGHQFEHRPIJXHO-UHFFFAOYSA-N	242.109	-0.492	50	10	BBGE	
CN(CC1(C)CCC1)c1ncc(B(O)O)cn1	2004912746	XQQDEFKEPNORBC-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CCN(c1ncccc1B(O)O)[C@@H](C)COC	2004935935	SAEJNACSYCBXSP-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
COc1cnn(-c2ncc(C)cc2B(O)O)c1	2005004855	LJRNVHZPWCGXAI-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1COC(C)(C)CO1	2007709951	RKLFSYDXECKVOH-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ncn(C)n1	2008806926	NWFHYBPJHAVDOI-HTQZYQBOSA-N	240.311	-0.739	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC(O)C[C@@H]2C1	2012899891	HRGLEQNQIVCIHU-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@]1(F)CCN(c2ncc(F)cc2B(O)O)C1	2014928996	MDVBVAOOFODLRQ-SNVBAGLBSA-N	242.034	-0.161	50	10	BBGE	
Cc1nc(NC(=O)CC(C)C)ncc1B(O)O	2015731204	VKWAEVJAMZFPTE-UHFFFAOYSA-N	237.068	-0.551	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](CO)C12CCC2	2016079871	JRMIEGOXSVEBKT-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CN(C[C@H]1C[C@H]1CF)c1ncccc1B(O)O	2016812724	SSKCEGWCQPLCNW-DTWKUNHWSA-N	238.071	-0.197	50	10	BBGE	
NNC(=O)c1ccoc1CN1[C@H]2COC[C@H]1C2	2021412155	IAACUVHPEPYDSO-HTQZYQBOSA-N	237.259	-0.144	50	10	BBGE	
Cc1nccn1C[C@]12C[C@](C(=O)NN)(CO1)C2	2023846020	KSMIPYZMPNCWNJ-XYPYZODXSA-N	236.275	-0.269	50	10	BBGE	
C[C@@H]1CCOCCN1Cc1ccccc1B(O)O	2031610766	SAKQGUBELQJUBX-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(CN(C)C)C1	2052620749	XQYVQBIYVQDELB-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
C[C@H](NC(=O)C1COC1)c1cccc(B(O)O)c1	2056444972	ULEQCBIEMNESIB-QMMMGPOBSA-N	249.075	-0.810	50	10	BBGE	
CCOc1cc(C)cc([N+](=O)[O-])c1B(O)O	2060033837	YEUQGAPEUZVCNC-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CC12CC(Cn3cc(B(O)O)ccc3=O)(CO1)C2	2082655302	JAYRICQSMILXDM-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@@H]2CC[C@@H]3C[C@@H]32)n1	2085930471	XVYIADAWLNUUNT-KXUCPTDWSA-N	248.091	-0.049	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@H]1C[C@H]1Cl	2208909005	JZRMUCSNNGJXBX-PHDIDXHHSA-N	241.696	-0.294	50	10	BBGE	
COc1ncc(Cl)cc1C(=O)NCB(O)O	2210221015	UHPCGOQSMZLWQN-UHFFFAOYSA-N	244.443	-0.515	50	10	BBGE	
CC1=CCN(c2ncccc2B(O)O)CC1	2212602283	BIUXROFBGNGQHJ-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC([C@H](F)CO)C1	2215776207	LLMSYPBGLGBOFT-SZEHBUNVSA-N	245.298	-0.735	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]1CN(CCOCC(=O)NN)C2	2215876205	PVCUUIKEMORSAX-AOOOYVTPSA-N	241.335	-0.029	50	10	BBGE	
CNC(=O)CN(C)CC1(C(=O)NN)CCCC1	2216873334	XEVNAZDGMHLSJY-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
Cc1cnc(-n2cc(C#N)cn2)cc1B(O)O	2217164314	SOBWRXJXVIHNQR-UHFFFAOYSA-N	228.020	-0.873	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ncc(B(O)O)cn2)CO1	2217176064	QWMXTGQNMFKJLG-CBAPKCEASA-N	237.068	-0.864	50	10	BBGE	
NC[C@@H]1CC[C@H]1Nc1nccc(B(O)O)c1F	2217180563	UUKCPIDVUMQODB-POYBYMJQSA-N	239.059	-0.950	50	10	BBGE	
C[C@H]1NCCC[C@H]1Oc1ncccc1B(O)O	2217187495	ZMVAIVNLEPQMNY-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
C[C@H](N)CCCCOc1ncc(B(O)O)cn1	2217190632	FSQQWGRUOBHAFD-QMMMGPOBSA-N	239.084	-0.947	50	10	BBGE	
CCC[C@@H](N)CCOc1ccc(B(O)O)cn1	2217192823	PYZYVMRYXMYJAA-SNVBAGLBSA-N	238.096	-0.342	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Oc1cc(B(O)O)ccn1	2217194602	WZRUQOYWNZRXDL-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CCCC[C@H](CN)Nc1ccc(B(O)O)cn1	2217200002	QEEIVSVZZRWIMA-SNVBAGLBSA-N	237.112	-0.309	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@H](C)CN1C	2222178415	DNTSWWHKXYAACF-VHSXEESVSA-N	249.123	-0.710	50	10	BBGE	
Cc1cnc(N[C@H]2CCCCNC2)cc1B(O)O	2223643122	RWJYKMBQIHTCGJ-JTQLQIEISA-N	249.123	-0.376	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]3CNC[C@@H]32)cc1B(O)O	2223650155	IVEOSEFYIYWYAD-WCABBAIRSA-N	248.091	-0.943	50	10	BBGE	
CN(C)C1(CNc2ccc(B(O)O)cn2)CCC1	2223674633	QTFZFALWMPEHLG-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
O=C(NCC1CSC1)[C@H]1C[C@@H]1B(O)O	2241475008	OVWMHMHRWQDWNC-BQBZGAKWSA-N	215.083	-0.672	50	10	BBGE	
O=C(N[C@@]12COC[C@H]1C2)C1(B(O)O)CCC1	2243347572	NXTRMNSIZWLDHF-XCBNKYQSSA-N	225.053	-0.711	50	10	BBGE	
CN(CCOC(C)(C)C)C(=O)C#CB(O)O	2243356358	GMNUNAXDMURILF-UHFFFAOYSA-N	227.069	-0.725	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2243362236	OCSVMTDFXVMPQK-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2243362911	YHZXVZDKAACKOA-ZETCQYMHSA-N	223.037	-0.559	50	10	BBGE	
COC(C)(C)CNC(=O)C1CC(B(O)O)C1	2243395954	FEQLRRZYHUODJQ-UHFFFAOYSA-N	229.085	-0.219	50	10	BBGE	
CO[C@@H](C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396064	GZWAQWUJAKNDLK-CIUDSAMLSA-N	229.085	-0.219	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)[C@H](C)O	2243396405	LSZKNBIXAKPGJI-KRTGUUSXSA-N	229.085	-0.485	50	10	BBGE	
CC(C)(C)CNC(=O)c1cc(B(O)O)sn1	2243397866	KNBUSHDCAWEKPT-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
C=CCCCNC(=O)c1cc(B(O)O)c[nH]1	2243399483	MMTHUQGVLWFFQN-UHFFFAOYSA-N	222.053	-0.610	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC[C@@H]1C1CC1	2243399589	NXHXIGGCJBECLD-ZJUUUORDSA-N	221.065	-0.303	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1COC(C)(C)C1	2243403726	BSVWCSAOLLIDPR-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1coc(B(O)O)c1	2243410021	UAEBUYWGJAQQJK-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)C1(CO)CC1	2243416345	JGMQZKRMHVDXAJ-UHFFFAOYSA-N	227.069	-0.777	50	10	BBGE	
C#CCCNC(=O)c1cc(B(O)O)sc1C	2243420149	NIHBHNASJBECBX-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2244343516	FJPDRRQVRYCPCO-OEJXEDHQSA-N	227.308	-0.542	50	10	BBGE	
Cc1cnc(OCCOC(F)F)c(B(O)O)c1	2246673669	TXGVTMLSVNVWGE-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC=CCC1	2247738599	SLXCJJUXFXMHSS-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2n[nH]cc2c1	2247740573	MNHURMWHVFMXIT-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1occc1B(O)O	2247750259	GUAAFGGMGKGTNH-QMSLJYSESA-N	235.048	-0.512	50	10	BBGE	
C=CCN(C)C(=O)c1ccc(B(O)O)c(C)c1	2247752034	HJTOHUASLGMDFO-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1CNC1	2247793473	XZKHRSIPOORXSL-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
N#Cc1cccnc1NC(=O)[C@H]1C[C@H]1B(O)O	2247800538	PYGUUHUMIOSYBM-JGVFFNPUSA-N	231.020	-0.245	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1(C)CC1	2247848915	SBKQYHHBVMDMGM-ZETCQYMHSA-N	236.080	-0.387	50	10	BBGE	
C=C1CC(CNC(=O)c2cc(B(O)O)c[nH]2)C1	2247851277	XORKYLKWPJROTC-UHFFFAOYSA-N	234.064	-0.610	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCNC1	2247877774	KAGWQEDTDQIFEC-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CCC(F)(F)CNC(=O)c1occc1B(O)O	2247878245	MRTHHWJJETWVTR-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
C[C@@H](O)C[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2247890628	AEXAIPKBFKDYCF-LGUIWLBCSA-N	243.112	-0.237	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891024	DUUMEIACZYWWTC-BMNUFHGDSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@H]1CCCCN1)[C@H]1C[C@@H](B(O)O)C1	2247893498	SXNCTIMNGTVLIP-KXUCPTDWSA-N	240.112	-0.502	50	10	BBGE	
CN(C)CCCONC(=O)[C@H]1C[C@H](B(O)O)C1	2247895669	BFYZLJHOIPQOGF-KYZUINATSA-N	244.100	-0.761	50	10	BBGE	
CC(C)OC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895913	VWVFQNPQWHIDTN-KYZUINATSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1O	2247899643	OZPHMHHTDRAGOU-JBDRJPRFSA-N	241.096	-0.485	50	10	BBGE	
CCC[C@@H](O)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901765	AFAGSUNFMVKOIO-KXUCPTDWSA-N	243.112	-0.093	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cc1F)C1CCC1	2248244991	VSEZECLYYSZALO-UHFFFAOYSA-N	238.027	-0.361	50	10	BBGE	
CC=CC(=O)Nc1cc(B(O)O)ccc1OC	2248395434	LMRAFGOTLJOJPR-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
O=C(O)[C@@H]1CC=CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2248573651	HWOOEQMYBXTIMV-FXQIFTODSA-N	239.036	-0.909	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@H](C)C(=O)O	2248579109	XTQATXXUTRTWPK-BQBZGAKWSA-N	243.068	-0.391	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248589744	UIURFAUSPDJIQG-RNJXMRFFSA-N	241.052	-0.685	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC2CC(C2)C1	2249409334	VKSVAWQUULTTNW-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cocc2B(O)O)[C@@H]1C	2249418617	WMMQYERTXGXOTF-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1cc(B(O)O)co1	2249427986	MOGZOZVPGWOGOR-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
CC(C)n1cnnc1NC(=O)C1(B(O)O)CC1	2250326534	HWYVQTIAPYVETB-UHFFFAOYSA-N	238.056	-0.196	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)cs2)CCC1	2250675085	VNKQOYLCVMIIRP-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ncccc1B(O)O	2255514549	KHQOYEHRWWMSDG-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1ccc(B(O)O)cn1	2255519549	YQAFVYIOPACLPI-MRVPVSSYSA-N	247.063	-0.864	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC12CCCC2	2255552424	KVPXABLLMKIVML-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)nn1	2255562852	AFFHOUCSMJIKBW-VHSXEESVSA-N	249.079	-0.394	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1C[C@@H]1C1CC1	2255720438	OAAFNLPBNBUCKC-NXEZZACHSA-N	249.075	-0.204	50	10	BBGE	
O=C(O)Cc1ccc(NC(=O)C#CB(O)O)cc1	2256923998	LICLKHCPSPZASG-UHFFFAOYSA-N	247.015	-0.732	50	10	BBGE	
C=CCNC(=O)NCc1ccc(B(O)O)c(C)c1	2260828403	SCFUXQPADAGCQN-UHFFFAOYSA-N	248.091	-0.340	50	10	BBGE	
C#CC[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2298368411	CINFNHBNXOSJHH-LPEHRKFASA-N	237.064	-0.900	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](O)CCC12CC2	2298368520	JVKJLERTJVLKDF-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)[C@@H]1C[C@@H]1B(O)O	2298369257	OLCVNHJFHYWBJQ-DMAGGPPCSA-N	245.059	-0.926	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC[C@@H]1C[C@H]1C(=O)NN	2299030915	RHEVMJBFKZQEDC-AEJSXWLSSA-N	241.335	-0.031	50	10	BBGE	
C=C(CN1C[C@@H]2OCC[C@]2(COC)C1)B(O)O	2299726569	LZOFDBGIGKYJBX-WDEREUQCSA-N	241.096	-0.708	50	10	BBGE	
CC[C@@](C)(CN1C(=O)C[C@H](C)C1=O)C(=O)NN	2303431970	OWCGQKUKBDIVCH-CPCISQLKSA-N	241.291	-0.212	50	10	BBGE	
C[C@@H]1[C@@H](O)CCN(CC2(C(=O)NN)CC2)[C@H]1C	2304213476	RIDWCJUMBSOQCN-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1c1ncno1	2307494993	BGDMJYWLZZMFFP-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CC[C@H]2NC3)CC1	2308938629	HKSNPGKICPXPIK-GMTAPVOTSA-N	249.314	-0.139	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)C1(CO)CC1	2317351596	KUCIOPLKIPCHSI-UHFFFAOYSA-N	249.075	-0.860	50	10	BBGE	
NNC(=O)[C@H](O)[C@H](N)CC1CCCCC1	33975563	OQKPABIJWCLLHX-RKDXNWHRSA-N	215.297	-0.365	50	10	BBGE	
CN(C)C(=O)CNC(=O)NC(=O)CCCl	37225690	UVXWHEXHJJAYAY-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
NNC(=O)CCc1nc2ncccc2[nH]1	44550658	UFNLKAMUVHQMRG-UHFFFAOYSA-N	205.221	-0.120	50	10	BBGE	
CCC[C@@H](C)NC(=O)COCC(=O)NN	58846640	GOKWMHSPQJUQRM-SSDOTTSWSA-N	217.269	-0.702	50	10	BBGE	
NNC(=O)CCN1CCC[C@H]1CCCO	82468735	RFBMSGZAGXNJIV-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
O=C1[C@H](Br)CCN1C[C@H](O)CO	85248948	UNPSIGZHVIWQRN-NTSWFWBYSA-N	238.081	-0.665	50	10	BBGE	
CCN[C@@H]1COC[C@@H]1C(=O)NN(C)C	147313437	FMMMBMHIYSZQBC-JGVFFNPUSA-N	201.270	-0.796	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)c2c[nH]nn2)CCCO1	152258105	LQUWSYBHRBJDDF-SECBINFHSA-N	239.235	-0.865	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)CCC(=O)NN	161681397	MAJJCAXTXVFYRK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2)C[C@@H](C)N1C	203907716	VKGIRAGLKCNAPZ-PHIMTYICSA-N	248.135	-0.105	50	10	BBGE	
CCc1nc(CC)n([C@H](COC)C(=O)NN)n1	232421138	PPCGTAOQDZEZPH-SSDOTTSWSA-N	241.295	-0.420	50	10	BBGE	
COC[C@@H](Sc1nncs1)C(=O)NN	232421279	CFUUJJMVHKYJHZ-SCSAIBSYSA-N	234.306	-0.365	50	10	BBGE	
COC[C@H](CNC(=O)NC(=O)CCl)OC	234726918	QOKNCZYAMWBUMX-LURJTMIESA-N	238.671	-0.288	50	10	BBGE	
CNCC(=O)NN=C1C=CC(=NO)C=C1	238321032	HTRSKZRBFRPDOL-UHFFFAOYSA-N	208.221	-0.366	50	10	BBGE	
COC(=O)[C@](CCl)(NC(C)=O)OC	238799752	DSAVBLMDKKDQDV-SSDOTTSWSA-N	209.629	-0.123	50	10	BBGE	
CC(=O)N(CCN)C(=S)NCCCl	242874677	GIGMYCVVIPVMNZ-UHFFFAOYSA-N	223.729	-0.093	50	10	BBGE	
CNC(=O)[C@@H]1CCCCN1[C@H](C)CC(=O)NN	251480351	FOOVRWSSYKULAU-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN(N)C(=O)[C@H](N)c1ccc2c(c1)CCO2	258946922	AQSUYBYKHXJBTE-SNVBAGLBSA-N	221.260	-0.047	50	10	BBGE	
O=C(O)[C@@H](Cl)Cn1ccncc1=O	306367901	APKQRVHJYQCLOF-YFKPBYRVSA-N	202.597	-0.065	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)C[C@H]1C	307010782	OHMRURFLSZZQLT-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C=CCO[C@H](C)CN1CC(=O)OC(=O)C1	308839047	XVSPNMGSMOPWFB-MRVPVSSYSA-N	213.233	-0.037	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)C1(C)C)C(=O)NN	308847970	PZWBUKNYRDVECY-HTQZYQBOSA-N	215.297	-0.542	50	10	BBGE	
N#C/C(=C/c1ccc(B(O)O)cc1)C(=O)O	309148378	MATPNNZUWCTKOK-YVMONPNESA-N	216.989	-0.642	50	10	BBGE	
COCCOCOc1cc(F)ccc1B(O)O	393818259	IDPSHQGNXNPJSX-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
CO[C@@H]1CCC[C@H]1NCC(=O)NNC(C)=O	393945656	PJNOZUUPLZMGLI-RKDXNWHRSA-N	229.280	-0.689	50	10	BBGE	
CC(=O)Cc1cccc(/C=C\C(=O)O)c1B(O)O	396138018	NTNHVWQHECCVBP-WAYWQWQTSA-N	248.043	-0.404	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CCC1	396437216	AAKPGZULPHOXIW-NEPJUHHUSA-N	235.092	-0.473	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1COC(C)(C)C1	396564513	VDVGVQYLGWYUMH-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCCOC1	401635337	XVUSMLRDAJUWJG-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H](C)C(=O)Nc1cc(B(O)O)ccc1C	404954396	VMQXSZCOBHHPPC-QMMMGPOBSA-N	237.064	-0.352	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cnc(O)[nH]1	405007825	SZAADYCWHGVXRF-UHFFFAOYSA-N	247.019	-0.953	50	10	BBGE	
CC(C)NC(=O)NCc1cccc(B(O)O)c1	405074631	CTYFSOAYYZUUTP-UHFFFAOYSA-N	236.080	-0.426	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[S@@](C)=O	405094943	WUDQJNVSTAZNQV-OAHLLOKOSA-N	227.094	-0.908	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)NC1CC1	405134675	ITSUCJOVQZITNX-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
OB(O)[C@@H]1CCN(Cc2cn3cccnc3n2)C1	585077473	UPZIJLFQRGANPN-SECBINFHSA-N	246.079	-0.222	50	10	BBGE	
C[C@H](CO)CN(C)[C@H](C)CCC(=O)NN	688396392	XUXOIAYEVVGCOM-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
CC(C)N(CCN(C)C)[C@H](C)C(=O)NN	688928487	UBUQSLZENAJMFR-SECBINFHSA-N	216.329	-0.363	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H](O)C1CC1	690156026	PVTVSMYLTALISY-POYBYMJQSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCC(F)(F)C1	695080154	LJWHHBRUZMAMGD-RXMQYKEDSA-N	221.207	-0.330	50	10	BBGE	
CCCO[C@H]1CCN([C@@H](COC)C(=O)NN)C1	701699038	GMKYEEBHPZSTAI-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CO)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703476338	HZCLAZLYGFSRKJ-KZVJFYERSA-N	227.260	-0.080	50	10	BBGE	
C[C@@H](ON)C(=O)N1CCC(O)(C#N)CC1	708672169	HTXWZTPMICBLLM-SSDOTTSWSA-N	213.237	-0.858	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H](O)C[C@H]1C2	710324321	KMWLHXQAYSKBGC-DAWVFNFOSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N1CCc2cccc(B(O)O)c21	712200433	DEXKKYZYGCKDOG-SCZZXKLOSA-N	245.087	-0.089	50	10	BBGE	
COC[C@H](O[C@@H](C)C1CC1)C(=O)NN	719081707	XSWLJPMLLGQHLQ-XPUUQOCRSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H](O)C1CN(CCCCC(=O)NN)C1	719805791	DBIXDJYSYIBFEJ-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
CC(=NNC(=O)C(=O)N1CCCC1)c1cn[nH]c1	794857940	ZUCNVGRRMFZFJQ-UHFFFAOYSA-N	249.274	-0.128	50	10	BBGE	
CC[C@H](C#N)C(=O)NNC(=O)[C@H]1COCCO1	845681368	VIPSFXJOTRGLQU-HTQZYQBOSA-N	241.247	-0.901	50	10	BBGE	
CC(C)(CO)C(=O)NNC(=O)[C@@]1(C)CCCO1	848160663	WGHBVDNRKAMVCI-LLVKDONJSA-N	244.291	-0.279	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1cccc(OC)c1	1084377815	BBWXFUBOIXNEPG-UHFFFAOYSA-N	235.243	-0.109	50	10	BBGE	
COC(=O)C(=O)NN=Cc1nc(C#N)cs1	1330310229	GMAWQSGEPQNOLK-UHFFFAOYSA-N	238.228	-0.362	50	10	BBGE	
CC(=O)N[C@@H](C)C(=O)NNc1ccc(C#N)cn1	1645053034	UIWQHZCJVWGSKV-ZETCQYMHSA-N	247.258	-0.079	50	10	BBGE	
C[C@H](SC1CNC1)[C@@H](C)C(=O)NN	1882121027	NZKJEADAWIKQOV-RITPCOANSA-N	203.311	-0.294	50	10	BBGE	
O=C1NCC[C@@H]1CNS(=O)(=O)CCl	1883493788	JDVNPBFAJQEPME-RXMQYKEDSA-N	226.685	-0.762	50	10	BBGE	
C[C@H](CO)S(=O)(=O)NC[C@@H]1C[C@@H]1Cl	1883552596	NHYYKDOQPQPZAM-VQVTYTSYSA-N	227.713	-0.086	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NC[C@@H]1C[C@H]1Cl	1883552825	OKUAWHASHHKOCX-XZBKPIIZSA-N	206.673	-0.562	50	10	BBGE	
O=C(O)[C@@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1883634722	NTSMJULQFYDPLO-LMVFSUKVSA-N	207.613	-0.825	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)C[C@@H](O)C1	1886137005	CNYWQNFKJMIZGP-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
Cn1cnc(S(=O)(=O)NOCCCl)c1	1888307707	HWTLDRVORUGGQB-UHFFFAOYSA-N	239.684	-0.131	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H](C)O	1888571459	IGAJOXXWVAYDPT-LURJTMIESA-N	224.282	-0.930	50	10	BBGE	
O=C(CCl)NC(=O)N1CC([N+](=O)[O-])C1	1888891287	BZBTZYBTACACSE-UHFFFAOYSA-N	221.600	-0.578	50	10	BBGE	
COCCN(C[C@H](O)CCl)C1COC1	1890504065	RPWQIXPYIXHDFI-SECBINFHSA-N	223.700	-0.067	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(F)(F)C1	1892436945	YMFTUFBXJNVMDS-UHFFFAOYSA-N	207.180	-0.895	50	10	BBGE	
CN1CCN(C[C@H]2C[C@H]2Cl)C(=O)C1=O	1893097188	AJNHNRAOVZZVSV-RNFRBKRXSA-N	216.668	-0.086	50	10	BBGE	
NC(=O)C1CN(C(=O)C=CC(=O)Cl)C1	1893417154	LPGSXERYRKQIMV-UHFFFAOYSA-N	216.624	-0.748	50	10	BBGE	
CN1CCC[C@H](OC[C@@H]2C[C@H]2C(=O)NN)C1	1897286248	OABSSLMMJAMHGK-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
C=CC[C@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901376043	UYWPCKILIZSXIQ-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
C[C@@]1(B(O)O)CCN(S(=O)(=O)C2CCC2)C1	1902522099	NELZTMHIFUASGM-SECBINFHSA-N	247.125	-0.193	50	10	BBGE	
CCN1CC(CNC(=O)C2(B(O)O)CC2)C1	1902539466	SJGLIPDVAJFTLR-UHFFFAOYSA-N	226.085	-0.939	50	10	BBGE	
C[C@@H]1C[C@@H]1CS(=O)(=O)N1CC[C@H](B(O)O)C1	1902539833	YDYNUNMNFOTDCV-HLTSFMKQSA-N	247.125	-0.479	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2[C@H](C1=O)C2(C)C	1905535135	SZWBGBCYDQRZNT-LPBLVHEISA-N	239.275	-0.604	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2[C@@H](CC1=O)C2(F)F	1905573362	PTWYZZYUBAINBP-FSDSQADBSA-N	247.245	-0.132	50	10	BBGE	
COCC1CC(O[C@H](C)C(=O)NN)C1	1906955408	GFVHYKTZSGQBFO-JECWYVHBSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H]1C1(O)CC1	1908844805	LKBYFSFYRJXQMU-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2[C@H](C)[C@H](C)C(=O)NN	1908889143	AOMYORAQDCYPML-VLEAKVRGSA-N	240.351	-0.221	50	10	BBGE	
Cc1csc(=O)n1C[C@@H](C)C(=O)NN	1912236544	DJPHJCLFUJGEJT-RXMQYKEDSA-N	215.278	-0.156	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CCOCC2)C1	1915590349	OBJQRPSZAJCRKB-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C)C(=O)Nc1ccc(B(O)O)cc1	1924023425	PRYMYTCXHXXQIP-QMMMGPOBSA-N	237.064	-0.413	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1927915709	JYDFBXMDIFOGOR-BIIVOSGPSA-N	211.265	-0.519	50	10	BBGE	
CN(CCCCO)C[C@H]1C[C@@H]1C(=O)NN	1927918577	VCLGKPSCIASRIL-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
C[C@H]1CCCN(CCC(=O)NN)S1(=O)=O	1927996457	CZKKXQQVBCKMJM-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
CN(C)CC(C)(C)C(=O)NNC(N)=S	1929597655	XVMYBSLHRGXZMN-UHFFFAOYSA-N	218.326	-0.561	50	10	BBGE	
N#Cc1ccc(C(=O)NNCCO)cc1	1929835098	MMDFCIRQYBHIDO-UHFFFAOYSA-N	205.217	-0.215	50	10	BBGE	
O=C(Cn1cncn1)NC[C@@H](Cl)CF	1930555173	HJPPKWORUAEXRX-LURJTMIESA-N	220.635	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](CO)C2)CC1	1931260517	OPRJLGDOSOAYCR-MRVPVSSYSA-N	213.281	-0.929	50	10	BBGE	
C[C@]1(CO)CCN1CC(F)(F)C(=O)NN	1932966845	HHQMIWQRNBOKBU-SSDOTTSWSA-N	223.223	-0.932	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)NNC(N)=O	1934055099	ROUJGTWCSUSAJT-MRVPVSSYSA-N	200.242	-0.830	50	10	BBGE	
C[C@H](C[S@@](C)=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936091747	OCEAZXMDYFBVBD-OXQWBGKKSA-N	247.364	-0.689	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CSc1nccnc1N	1936092321	WGBMYDGGUNUDHE-NTSWFWBYSA-N	239.304	-0.223	50	10	BBGE	
CCN(C1CN(C)C1)[C@@H](C)CCC(=O)NN	1937468424	WEHLNYYDZCYFAI-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1937982744	YNNYVKUFBLSONS-ONGXEEELSA-N	229.324	-0.295	50	10	BBGE	
CNC(=O)CC1CCN([C@H](C)C(=O)NN)CC1	1941399943	DHPKSQNJTBDXDX-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(CC(F)(F)C(=O)NN)C2=O	1946986966	CGQVVQHINASCFU-VHWMUFPASA-N	247.201	-0.993	50	10	BBGE	
O=C(CCl)N1CC(n2ccnn2)C1	1953986145	AZXVASSGCQALOL-UHFFFAOYSA-N	200.629	-0.100	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H]1CN	1954211911	KLZSNWURPYCBMA-JGVFFNPUSA-N	203.673	-0.223	50	10	BBGE	
O=C(CCl)[C@H]1Cn2cnnc2CN1	1954339938	FSIQBDHKMRNZPD-RXMQYKEDSA-N	200.629	-0.442	50	10	BBGE	
CC(C)N(CCS(C)(=O)=O)C(=O)NN	1956762412	CNEIDBGCKXTSEF-UHFFFAOYSA-N	223.298	-0.675	50	10	BBGE	
CCCN1CCCN(C(=O)NN)CC1	1956770272	LFDCLVFXLDSZSS-UHFFFAOYSA-N	200.286	-0.013	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCO[C@H]1C(N)=O	1957175190	LCTQIJCHTHPUKK-HCWXCVPCSA-N	220.656	-0.627	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@H]2C[C@H]2C1	1957503722	HJNJHQFPUHKPRM-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COC1CC1	1961179604	YIRKTBCOHYCAJF-UHFFFAOYSA-N	210.237	-0.297	50	10	BBGE	
CN(CCCn1cccn1)CC(=O)NN	1961264259	SCIXHACQSMEQMF-UHFFFAOYSA-N	211.269	-0.805	50	10	BBGE	
CS[C@@H]1CCN(c2nc(B(O)O)cs2)C1	1961718196	LGBHKVKFYOVNEA-ZCFIWIBFSA-N	244.150	-0.235	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1C1CC(F)(F)C1	1979249699	NTLNJEBQNJOYQE-LURJTMIESA-N	233.218	-0.378	50	10	BBGE	
CCCCN(C)c1ncc(B(O)O)c(C)n1	1981447897	UURNQSKNRFEOMF-UHFFFAOYSA-N	223.085	-0.299	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@@H](C)C(=O)NN	1988556758	ISVBCRXJBSVHQU-BBBLOLIVSA-N	229.324	-0.173	50	10	BBGE	
N#CC1=CCN(C(=O)C2(N)CC(O)C2)CC1	1989992821	RUCIXNKVYIVPSK-UHFFFAOYSA-N	221.260	-0.479	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1990038882	IYKUKJWJJKCDSZ-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](CO)C[C@@H]1CO	1991706594	RDWRLUCPCHYHRK-XLNBVVSQSA-N	247.678	-0.490	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2COCCC2(F)F)n1	2003916463	MIEWVWWSWHMCGK-SSDOTTSWSA-N	246.022	-0.765	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1nnc(C)o1	2004408905	BUNSZVWWILWJPL-MRVPVSSYSA-N	241.295	-0.032	50	10	BBGE	
CC[C@@H](COC)N(C)c1ncc(B(O)O)cn1	2004911437	HDTDKVXSOAXDAO-VIFPVBQESA-N	239.084	-0.982	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)C[C@H]1F	2004912534	UUHORIOLJGGCMG-PSASIEDQSA-N	238.071	-0.054	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncc(B(O)O)cc2F)CO1	2004935757	PUOKHQUVXUHZQT-HTRCEHHLSA-N	241.027	-0.543	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC[C@@H](C2)C1	2004936223	WOPNIWHGNGLHDF-UWVGGRQHSA-N	232.092	-0.002	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)Cc1c(C(=O)NN)cnn1C	2005105254	BAWCMAULRAALSJ-CBAPKCEASA-N	237.307	-0.136	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(CCN(C)C)C1	2007715505	GRZAEELNFHHOSX-ZJUUUORDSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](N(C)c1ncncc1B(O)O)C(C)(F)F	2009078831	PTRPQSJNLHZRKP-LURJTMIESA-N	245.038	-0.364	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1CO[C@]2(CCOC2)C1	2009142875	JOIRXSCNSAXSJZ-WCABBAIRSA-N	243.307	-0.755	50	10	BBGE	
Cc1cc(CN(C)C(=O)C(=O)NN)nnc1C	2013212497	DLRDVRSDRNUGJU-UHFFFAOYSA-N	237.263	-0.958	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@]1(O)CCOC1	2013284918	STRJNWLKGKYQHU-ATZCPNFKSA-N	245.323	-0.916	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(CNC(=O)OC)C1	2014046187	NQQODYXUYMTULM-MRVPVSSYSA-N	244.295	-0.957	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](CO)C12CC2	2016079622	HYUHWPGUCPHDLO-ZETCQYMHSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COc1cccc(C(N)=O)c1	2028045820	SIESDJHFSJYREF-SCZZXKLOSA-N	249.270	-0.210	50	10	BBGE	
Cc1nc(N2CC(CC3CC3)C2)ncc1B(O)O	2052552429	SEBJHJSEOJJHSX-UHFFFAOYSA-N	247.107	-0.299	50	10	BBGE	
CCOc1ccc(C)c([N+](=O)[O-])c1B(O)O	2060019694	XEBMSTOOIFYSGQ-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
COc1ccc(OC)c(B(O)O)c1C=O	2060237917	WUQSCLOCPJVHIK-UHFFFAOYSA-N	209.994	-0.804	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3COCC[C@H]32)c1	2073060831	KWARSTVEJBPDBI-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
C=C1COC[C@@H]1NC(=O)c1ccccc1B(O)O	2079008140	FGFRYJOEHMMXBE-NSHDSACASA-N	247.059	-0.949	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1cccc(B(O)O)c1)C2	2079012423	UAYMWAJLBNSJEY-GWCFXTLKSA-N	245.087	-0.152	50	10	BBGE	
Cc1nc(N2CCC(O)(C#N)CC2)nn1C	2210816317	YRJFAZWPWILVPM-UHFFFAOYSA-N	221.264	-0.022	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H](F)[C@@H](F)C1	2211147111	SSOGXUNYUKVDRO-BQBZGAKWSA-N	248.063	-0.685	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC2(COC2)C1	2215777861	VPLCOWNSNRHNSF-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2C[C@]2(F)C1	2216597299	HRDWBGVUGHEUTQ-KWQFWETISA-N	236.055	-0.300	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](OC(F)F)C1	2216785734	BCSWGMIEJPGFGY-GJMOJQLCSA-N	249.261	-0.074	50	10	BBGE	
CCCC[C@@H](CN)Nc1cc(B(O)O)ccn1	2217175833	NXGCBXJFSLNADL-JTQLQIEISA-N	237.112	-0.309	50	10	BBGE	
Cc1cnc(N2CC3(F)CC2C3)cc1B(O)O	2217185649	ZUQNIBFFMVCDHF-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
CNC[C@H](Oc1cc(B(O)O)ccn1)C(C)C	2217194132	QVZQRUSWWFGGKN-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
Cc1nc(N(C)C2C[C@H]3C[C@@H]3C2)ncc1B(O)O	2222652086	AFKOZMDSZJMIMY-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@H]2Nc1ncccc1B(O)O	2223632369	IVINWRHIESIDMZ-HLUHBDAQSA-N	248.091	-0.666	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCN[C@@H]2C2CC2)nc1	2223652178	CLLPQONHRFFDGN-CMPLNLGQSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223666824	OQKHRAVRYOLNKF-NXEZZACHSA-N	249.123	-0.184	50	10	BBGE	
NC[C@H](Nc1ccc(B(O)O)cn1)C1CCCC1	2223669688	NCIOPNMVZVJEOK-NSHDSACASA-N	249.123	-0.309	50	10	BBGE	
OC[C@@H]1CO[C@H]2CN(CCCl)C[C@@H]2O1	2241302794	HBHCLAQOTVUDKC-VGMNWLOBSA-N	221.684	-0.314	50	10	BBGE	
O=C(NOCCF)[C@H]1C[C@@H](B(O)O)C1	2241474312	ANCZHOYMQOTXQC-OLQVQODUSA-N	204.994	-0.743	50	10	BBGE	
CCCONC(=O)C1CC(B(O)O)C1	2241474852	MECLRDXCHDXIBL-UHFFFAOYSA-N	201.031	-0.303	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]1CF	2241496073	PAFFSZYGFBHMFK-XVMARJQXSA-N	201.006	-0.580	50	10	BBGE	
CC=CCCNC(=O)c1occc1B(O)O	2243363679	KNOGLADXCUHEDF-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CNC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363787	MKFLTMFYYLNXSK-QMMMGPOBSA-N	226.085	-0.939	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)c1ccnn1C	2243365017	GPNAPAWBFSNQPA-UHFFFAOYSA-N	223.041	-0.610	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2243390827	BVTRSAZLMQNOKJ-BIIVOSGPSA-N	227.069	-0.467	50	10	BBGE	
NC1(CNC(=O)C2CC(B(O)O)C2)CCC1	2243391752	NWSMLVGWAHCPKC-UHFFFAOYSA-N	226.085	-0.763	50	10	BBGE	
CON(C(=O)c1coc(B(O)O)c1)C(C)C	2243397480	BZXJDVNFACECNR-UHFFFAOYSA-N	227.025	-0.629	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)C#CB(O)O	2243398262	COTYUFDPWGEVTC-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(NCC1CC(CO)C1)C1(B(O)O)CC1	2243398495	QFWNTPJNMMIYSW-UHFFFAOYSA-N	227.069	-0.872	50	10	BBGE	
C[C@H]1CCO[C@H]1CNC(=O)C1(B(O)O)CC1	2243410959	LBYXTHPUPKCLEU-YUMQZZPRSA-N	227.069	-0.465	50	10	BBGE	
Cc1ncc(CNC(=O)C2(B(O)O)CC2)o1	2243411688	YMONZHJYAHZLOY-UHFFFAOYSA-N	224.025	-0.394	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CCC[C@@H]1C)B(O)O	2243411833	BAMKIKZGEMJADI-CBAPKCEASA-N	247.125	-0.337	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2245155812	RTOMTYJTBKQRHS-JGVFFNPUSA-N	228.101	-0.694	50	10	BBGE	
C[C@@H](C#N)C1CCN(C(=O)C#CB(O)O)CC1	2247743726	IHPQNURUDDRVMW-VIFPVBQESA-N	234.064	-0.600	50	10	BBGE	
CC[C@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2247747560	PDCRFSUOQRPGIS-VIFPVBQESA-N	236.080	-0.291	50	10	BBGE	
C#CCCNC(=O)c1cccc(C)c1B(O)O	2247752116	ISWZMLXHBNRKBQ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)CC1(C)C	2247758273	URQRUBBTZPZINW-QMMMGPOBSA-N	241.096	-0.123	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783408	FAWGKIREHDJGOL-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC=C[C@@H]1CO	2247785517	LVNZVCYFUMDTOR-KXUCPTDWSA-N	239.080	-0.611	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)[C@H]1C[C@@H](B(O)O)C1	2247787791	UXZMMSKBUMDXBZ-BBBLOLIVSA-N	241.096	-0.218	50	10	BBGE	
COCCC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247803839	CZMPEQTUJFCIOL-RKDXNWHRSA-N	241.096	-0.218	50	10	BBGE	
CCC1CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2247849726	DRTQMAVDFAVOGV-UHFFFAOYSA-N	236.080	-0.387	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)C1(B(O)O)CCC1	2247852827	AEBWLYHCPHYDQR-YUMQZZPRSA-N	241.096	-0.341	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)C2(B(O)O)CC2)CCN1	2247855677	WJQOKWFDKWWZGH-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1C(=O)c1coc(B(O)O)c1	2247856705	MJVIZUXWXYACGL-HTRCEHHLSA-N	241.027	-0.468	50	10	BBGE	
CN(C)CCC1CN(C(=O)C2(B(O)O)CC2)C1	2247869970	BNTKUYKVEOHAOD-UHFFFAOYSA-N	240.112	-0.597	50	10	BBGE	
CN(C)C1[C@@H]2CN(C(=O)C3(B(O)O)CC3)C[C@@H]12	2247879871	YNFBCSRWISLXBI-HTQZYQBOSA-N	238.096	-0.988	50	10	BBGE	
COC1(CF)CN(C(=O)C2CC(B(O)O)C2)C1	2247893207	NXZLEAYWSKTIFC-UHFFFAOYSA-N	245.059	-0.564	50	10	BBGE	
CCO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247897049	NMERESSPOCMWTI-KXUCPTDWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1CCNC12CCC2)[C@@H]1C[C@@H]1B(O)O	2247899397	NCFPHBVWTHGHSI-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
CC(C)C[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248576441	GFMYMTIANYPBGN-QMMMGPOBSA-N	241.052	-0.993	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1cc(B(O)O)co1	2249418449	UHZMHPWBWRFAAK-HTQZYQBOSA-N	235.048	-0.655	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCN1	2249853116	SBKGZNGQDLYCQB-WPRPVWTQSA-N	235.096	-0.686	50	10	BBGE	
O=C(CC[C@@H]1CCOC1)NCCC#CB(O)O	2250001535	XYJWOOGNNMDKHZ-SNVBAGLBSA-N	239.080	-0.675	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NCCC#CB(O)O)C1	2250008648	OSTRHMWHIZVGEJ-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
CCC1(Cn2nc(C)c(B(O)O)c2C)COC1	2250010534	OKMSKOOBNIQFLP-UHFFFAOYSA-N	238.096	-0.394	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ccnnc1	2251560362	ITGGTBSXRAUQSS-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
Cc1cnc(O[C@@]23CCNC[C@H]2C3)cc1B(O)O	2254112220	CVNOSHAHDUNCFO-BXKDBHETSA-N	248.091	-0.799	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccncc1B(O)O	2255444378	KRBJMQVGVJIXPK-VIFPVBQESA-N	246.075	-0.707	50	10	BBGE	
Cc1cccc(C(=O)N2C(=O)C[C@H]2C)c1B(O)O	2255509305	JIHVIYQMYULIIK-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
O=C(N[C@H]1CC12CCCC2)c1n[nH]cc1B(O)O	2255550726	ZHSYIWQYOAJSAL-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2C(=O)c1c[nH]nc1B(O)O	2255554278	KLFUQZYYAMKRJY-WRWORJQWSA-N	249.079	-0.896	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2255566614	ZQBPERDWAWCVJX-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
O=C(NC[C@H]1C=CCCC1)c1n[nH]cc1B(O)O	2255761892	MYLGGWMKLGNBMY-QMMMGPOBSA-N	249.079	-0.824	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1O	2255952620	WEVPIBYXDOIEAG-YUMQZZPRSA-N	249.075	-0.542	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCNC1	2298368737	VISRQVDVLMDYNN-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H]2CO	2298375473	LFMUTUAWSZJEAN-SVSWQMSJSA-N	239.080	-0.779	50	10	BBGE	
NNC(=O)C1(CN2CCOC[C@@H](F)C2)CCC1	2300041544	IKJMJYVWZGYYLA-VIFPVBQESA-N	245.298	-0.183	50	10	BBGE	
OB(O)c1cc(F)c(F)c(OC[C@@H]2CCO2)c1	2300478622	QMKPVMWRUPKJEQ-ZETCQYMHSA-N	244.002	-0.188	50	10	BBGE	
C=C[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2301341403	OSWNGGUYIDQXIL-JTQLQIEISA-N	232.048	-0.803	50	10	BBGE	
O=Cc1ccc(N2CC(F)(F)C2)cc1B(O)O	2301452821	MQFRBXMNGVQHBJ-UHFFFAOYSA-N	241.002	-0.366	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC=CCO1	2301817491	HHUGSPIIOIOVGC-IQJOONFLSA-N	239.080	-0.299	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2C[C@H](CO)CO2)C1	2303152465	YEYQMLYBJPPTID-MXWKQRLJSA-N	243.112	-0.677	50	10	BBGE	
C=CC[C@@H](Oc1ccc(B(O)O)cn1)[C@@H]1CCN1	2314242611	BGLVYHQROIEYBJ-WDEREUQCSA-N	248.091	-0.553	50	10	BBGE	
CC(=O)NNC(=O)c1ccc(Cl)nn1	40690710	VNWCYDCROJXINC-UHFFFAOYSA-N	214.612	-0.089	50	10	BBGE	
CSCCC(=O)NNC(=O)C(=O)NC(C)C	61544675	KWWMRNRQXUGXLZ-UHFFFAOYSA-N	247.320	-0.589	50	10	BBGE	
CN1CCN(CCBr)C(=O)C1=O	61797590	FJCQJQQOGGGRDX-UHFFFAOYSA-N	235.081	-0.318	50	10	BBGE	
CC[C@H]1CN([C@@H](C)C(=O)NN)CCO1	82467630	ATDYHCLXRGMQKC-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCC1(C)C	82470285	BKKZYLNGHSBMHS-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
O=C(CBr)N1CCO[C@H](CO)C1	88091686	CEQHAYLQUKHRPN-LURJTMIESA-N	238.081	-0.399	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@@H](N)C2)nc1	94763897	NQVDXNNNUAHOBA-SNVBAGLBSA-N	249.318	-0.392	50	10	BBGE	
C[C@@H](Cn1nnc(-c2ccccc2)n1)C(=O)NN	104108695	ZLQUFXGLLZQFOR-QMMMGPOBSA-N	246.274	-0.034	50	10	BBGE	
COCCOCCN1CC(=O)OC(=O)C1	111218072	FBKFPVLLPOSHBC-UHFFFAOYSA-N	217.221	-0.965	50	10	BBGE	
O=C1COCCN1C[C@H](O)CBr	156262441	GOYXKPWHIJDRRE-ZCFIWIBFSA-N	238.081	-0.399	50	10	BBGE	
Cn1cc(OC(F)(F)C(=O)NN)cn1	159958769	ANISPRGNIMIKEI-UHFFFAOYSA-N	206.152	-0.618	50	10	BBGE	
O=C(CNC1CCC1)N1CCC[C@H]1B(O)O	170068394	BYSBLNSCHBIOLU-VIFPVBQESA-N	226.085	-0.869	50	10	BBGE	
COCCCOc1ccc(F)cc1B(O)O	202078596	JOZMGKNQKZIAIU-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
Cc1cnc(=O)n(Cc2ccc(B(O)O)cc2)c1	203345129	KSMAAIGCHAODPQ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H](N)CC)B(O)O	213698034	INMYVQXGWVHEKG-SFYZADRCSA-N	216.090	-0.589	50	10	BBGE	
COC(=O)/C=C\c1ccsc1B(O)O	214808810	FTVDRTPMBJAFPI-IHWYPQMZSA-N	212.035	-0.386	50	10	BBGE	
COC(=O)[C@@](CCl)(NC(C)=O)OC	238387738	DSAVBLMDKKDQDV-ZETCQYMHSA-N	209.629	-0.123	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1ccccc1OC	259058837	MHJQCJYNPQLTCD-SECBINFHSA-N	223.276	-0.184	50	10	BBGE	
CNNC(=O)[C@H](N)CC1CCOCC1	259137137	SVRUIHOWAVRDRK-MRVPVSSYSA-N	201.270	-0.619	50	10	BBGE	
CC(C)(C)C(=O)C(=O)NNC(=O)[C@H]1CCCO1	294112856	YTKMXHKXIYKBDK-SSDOTTSWSA-N	242.275	-0.072	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	306757764	SXRSKRAMWWMYNA-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
OB(O)c1cc2c(O)cc(O)cc2s1	307288185	AZLKVELVBJNUES-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CNC(=O)[C@H]1CCN(C(=O)CBr)C1	307517144	WWMSPLHDBKCDAX-LURJTMIESA-N	249.108	-0.024	50	10	BBGE	
CSSCC(=O)NCCS(N)(=O)=O	308305854	NYDINQRLFGUIRF-UHFFFAOYSA-N	244.363	-0.598	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)C[C@@]1(C)CN	309047855	ODRHBWMZEZPEJY-NQMVMOMDSA-N	214.313	-0.719	50	10	BBGE	
OB(O)CCc1ccc(CCB(O)O)cc1	309408733	WUBYAGYCKWPDTB-UHFFFAOYSA-N	221.858	-0.283	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[S@](=O)CC1	321844234	FTSFLZYUZMTNPC-AYVTZFPOSA-N	233.337	-0.791	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NCCN(C)C)[nH]1	381084282	SGTQMILKAGHLPF-LURJTMIESA-N	244.730	-0.021	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CCCOC1	401639964	ZOPMHEMWXNQGAO-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	404980874	ILWUMFIKIOMULT-SKDRFNHKSA-N	247.103	-0.019	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)NC1CCCC1	405150741	QZIOODBHJYEIHR-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
Cn1nnc(C#CCBr)n1	575593556	IYNSVZDWJQSARF-UHFFFAOYSA-N	201.027	-0.044	50	10	BBGE	
Cn1nnnc1CN1CCOC[C@H](Cl)C1	697691362	QFVNSEUBNSCKHC-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(C)CC[C@H]1CO	701576699	SVQZPFVNTKILAY-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)Nc1ccccc1B(O)O	705220021	XRYRXATZLDPMFU-BDAKNGLRSA-N	249.075	-0.413	50	10	BBGE	
NC(=O)NNC(=O)c1ccc(Cl)nn1	706029363	DMNPYSBVRGRZJG-UHFFFAOYSA-N	215.600	-0.557	50	10	BBGE	
NNC(=O)C(=O)NCc1csc(C2CC2)n1	708859902	WNSYSQXRBJLZBO-UHFFFAOYSA-N	240.288	-0.373	50	10	BBGE	
CN(CCOCCCl)CCn1cnnn1	712590719	FNRBVGJRBRERJV-UHFFFAOYSA-N	233.703	-0.140	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@@H]3C2=O)c1	715705320	VWBVKDNOFXEMHA-MUWHJKNJSA-N	235.243	-0.139	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1	722337657	OHWZRGCWRHSDSB-SFYZADRCSA-N	227.264	-0.950	50	10	BBGE	
COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCl	845985958	MZCDICCWUOSEHY-NKWVEPMBSA-N	243.712	-0.406	50	10	BBGE	
CNC(=O)NNC(=O)[C@]12C[C@H]1COC21CCC1	930588295	YHGGGKMHGPAMOW-CPCISQLKSA-N	239.275	-0.094	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2CCN2)C[C@@H]1Cl	953103142	FGKHJKZCVLJHKP-WDSKDSINSA-N	217.656	-0.493	50	10	BBGE	
CN(CCO)C(=O)/C(C#N)=C/c1cnn(C)c1	1290708930	HSWAVIRETFCABG-BJMVGYQFSA-N	234.259	-0.222	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1ncccn1	1536595332	DQSPUBBHIZTTSY-UHFFFAOYSA-N	216.147	-0.497	50	10	BBGE	
CN(NC(=O)/C=C\[C@H]1COC(C)(C)O1)C(N)=O	1596554208	CUMZPEYGLKWFLL-MJSGSUOKSA-N	243.263	-0.264	50	10	BBGE	
NNC(=O)[C@]12CCC[C@H]1CS(=O)(=O)C2	1877858742	HNNXHGADRXCUBN-XPUUQOCRSA-N	218.278	-0.809	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)NC1CC(Cl)C1	1881807199	HAURLOWPMTUKBD-SZWNGJMLSA-N	206.673	-0.420	50	10	BBGE	
NC(=O)CCNC(=O)/C=C/C(=O)Cl	1883649503	RHXYVVMLXXPFJN-OWOJBTEDSA-N	204.613	-0.700	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1885721449	GUODDQDCOOFIGT-RNLVFQAGSA-N	239.724	-0.275	50	10	BBGE	
Cc1c(C=O)cc(B(O)O)cc1C(=O)O	1887551525	UMGSCUYOHXEKNJ-UHFFFAOYSA-N	207.978	-0.814	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@@H]1CNCCO1	1893107873	OXFCHJDUHANNQA-RNJXMRFFSA-N	218.684	-0.282	50	10	BBGE	
C=C(COC[C@H](CC)N(C)C)B(O)O	1895097534	RGLZMLCTSMJOEC-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H]2C[C@H]2CO)[nH]1	1895232907	XSRMMTIHQOANPU-WDSKDSINSA-N	243.698	-0.515	50	10	BBGE	
CC1(C)COC[C@@H]1C(=O)NCC=CB(O)O	1899970812	CILNIOIUWFLNBS-MRVPVSSYSA-N	227.069	-0.657	50	10	BBGE	
C#CCOCC(=O)NN(C)S(=O)(=O)C1CC1	1901337712	RBQPNBDLOKSRML-UHFFFAOYSA-N	246.288	-0.909	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1cc(B(O)O)cs1	1902407527	URMBWDDSTBIICD-SECBINFHSA-N	237.089	-0.380	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@H]2CCCNC2=O)C1	1902551136	OQZVIDZELHJTMT-WCBMZHEXSA-N	226.085	-0.796	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H]2CC[C@@H](O)C2)[nH]1	1902651559	PCRCYRXGELNKBV-PHDIDXHHSA-N	243.698	-0.230	50	10	BBGE	
OB(O)c1cc(NC2CC(F)C2)ncc1F	1903009082	DAFYMEGVDFUMLK-UHFFFAOYSA-N	228.007	-0.187	50	10	BBGE	
O=C(O)[C@@H](CCCl)NS(=O)(=O)CCF	1903477570	YWBNKILJCJXWJD-RXMQYKEDSA-N	247.675	-0.043	50	10	BBGE	
C[C@@H](CN1C[C@@H](C)O[C@H](C)CC1=O)C(=O)NN	1912248866	YKEPIPXHKTXAHX-DJLDLDEBSA-N	243.307	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(F)C2)O1	1917252120	SATAGCXQMPLGLF-HTQZYQBOSA-N	217.244	-0.822	50	10	BBGE	
Cc1csc(=O)n1CC(F)(F)C(=O)NN	1927816504	NYGHVVTWYMVIIN-UHFFFAOYSA-N	237.231	-0.157	50	10	BBGE	
CN(C)[C@H]1CN(CCOCCCl)C[C@H]1O	1928376013	CCQCEEPOPYTBIM-VHSXEESVSA-N	236.743	-0.152	50	10	BBGE	
C[C@]1(CCl)CCN1C(=O)Cn1cnnn1	1932967046	JEIOAVGNNDKAHD-MRVPVSSYSA-N	229.671	-0.097	50	10	BBGE	
CC(C)n1ccc(C(=O)NNC(N)=O)n1	1933228920	KBHVRYBKIXRDQK-UHFFFAOYSA-N	211.225	-0.223	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1934047440	PHHATSFRLVCSQH-RBXMUDONSA-N	213.281	-0.648	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H]1C[C@@H](O)C2	1934050122	VJBORNUOAFSBDS-AYMMMOKOSA-N	213.281	-0.646	50	10	BBGE	
N#CCCN(C[C@H]1C[C@@H]1C(=O)NN)C1CC1	1936083611	JGFFKPSCVVCBFZ-SCZZXKLOSA-N	222.292	-0.010	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1CCCO1	1936536868	RSQOHXRASKBDPA-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(C)C2	1936727057	LRITWILUYSULEQ-QXEWZRGKSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2COC[C@@H]2C1)C(=O)NN	1937336871	QCNOOCQEIJUDLJ-AEJSXWLSSA-N	227.308	-0.419	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C(=O)[C@H]2CCC[C@H]21	1937413930	CYJVBJXQNZBPQY-XSPKLOCKSA-N	223.276	-0.377	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(N(C)C)C1	1937545253	KHIFMFMGCWXEDF-MWLCHTKSSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C[C@@H](O)CBr	1953623562	UZDLXJXADNLBIU-WDSKDSINSA-N	239.113	-0.452	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@@H](O)[C@H](O)C1	1954240061	ROBNDFDKWSEVAI-FSDSQADBSA-N	207.657	-0.432	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H]1CONC1=O	1954507996	UAHMCKRYLLWJIB-UHNVWZDZSA-N	206.629	-0.450	50	10	BBGE	
CO[C@@H]1CC(C)(C)CC[C@]1(N)B(O)O	1955784597	JYWMRUXXQVDORH-VXNVDRBHSA-N	201.075	-0.079	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@H]2OCC[C@H]2O1	1955953337	PSWSOJNBLACMGC-RRKCRQDMSA-N	201.226	-0.894	50	10	BBGE	
CON(C[C@H](C)C(=O)NN)[C@@H]1CCOC1	1960127025	VRLNRAUNSALLHS-JGVFFNPUSA-N	217.269	-0.735	50	10	BBGE	
O[C@@H](CCl)CN1CC(N2CCOCC2)C1	1961185441	JWUGIKBZZJLCSO-JTQLQIEISA-N	234.727	-0.398	50	10	BBGE	
C=C(COc1cncc(B(O)O)c1)OC	1961428665	KBNZGJGLHGMVML-UHFFFAOYSA-N	209.010	-0.700	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCC[C@@]2(CO)C1	1976390559	QJKAUWJVPWALOT-KOLCDFICSA-N	227.308	-0.539	50	10	BBGE	
COC1CC2(C1)CN([C@@H](C)CC(=O)NN)C2	1977521529	BXVYCJWLGUXDEX-QMMMGPOBSA-N	227.308	-0.134	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCCc2cn(C)nn2)C1	1978595728	PKHRPXFLYSBWKY-UWVGGRQHSA-N	243.742	-0.131	50	10	BBGE	
CN1CCN(CC(C)(C)C(=O)NN)[C@@H]2C[C@H]21	1980229517	SZIFIQGIKVXKMT-RKDXNWHRSA-N	226.324	-0.609	50	10	BBGE	
COC1(CF)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1980378398	UVFHNMPALVMMCH-YUMQZZPRSA-N	231.271	-0.717	50	10	BBGE	
CN(N)C(=O)c1ccc2c(c1)CCS2(=O)=O	1980758451	KTHVYVLLCMASEH-UHFFFAOYSA-N	240.284	-0.038	50	10	BBGE	
NNC(=O)CN1CC[C@H](CN2CCCC2)C1	1980790906	KKFYPOWNPPOOAB-SNVBAGLBSA-N	226.324	-0.606	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@@H]2CCCOC2)C1	1981090117	ZSVZNXNVZUNAJD-BDAKNGLRSA-N	229.280	-0.303	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1ccncc1B(O)O	1981409413	MHZYLOJNPCQBSX-WPRPVWTQSA-N	220.081	-0.004	50	10	BBGE	
CC[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	1981415061	ZQNDASCDYWTOSC-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H](C)C(C)C)n1	1981418831	PEZFMHPABSGTHJ-ZETCQYMHSA-N	224.069	-0.112	50	10	BBGE	
OB(O)c1cnccc1N1CCC(F)(F)C1	1981420672	OOHNOYZSOZFXNR-UHFFFAOYSA-N	228.007	-0.393	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@]1(C)COCCO1	1982115558	SIWUQXIMAVOACA-SCZZXKLOSA-N	231.296	-0.898	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@H]1CF	1985767863	SFQLQUFLVBFLHZ-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H](O)C[C@H]2C1)C(=O)NN	1986733159	ZOVQEQHICKDZIC-IMSYWVGJSA-N	227.308	-0.685	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1ccc(B(O)O)cn1	1987863281	VJPMLBUXWGVDGD-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
COC1(Cn2nc(C)c(B(O)O)c2C)CCC1	2002519605	NILNBOODWGDHQW-UHFFFAOYSA-N	238.096	-0.251	50	10	BBGE	
CCON(CC)Cc1c(C(=O)NN)cnn1C	2003506648	XYSRVUWWJHZVKY-UHFFFAOYSA-N	241.295	-0.203	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2OCC[C@H]2C1=O	2004648726	DDUJKKHSKRBFFG-BDAKNGLRSA-N	241.291	-0.606	50	10	BBGE	
CCN(CC1CCC1)c1ncc(B(O)O)cn1	2004912778	YEPGOJCIWAFIOS-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
C[C@H](COc1cc(F)ccc1B(O)O)N(C)C	2008376279	DNEMFDUFUUEUPJ-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1ccccc1B(O)O	2009678238	ZEZAOLZPIDEFFR-QMMMGPOBSA-N	237.064	-0.270	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H]1CCOC1	2019209746	FZRUVKWFUKWPGG-SNVBAGLBSA-N	243.307	-0.488	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)N(C)[C@H](C)C1	2019213979	XWCVMCKTTPARAZ-RKDXNWHRSA-N	242.323	-0.822	50	10	BBGE	
COCCN(C1CCC1)[C@H](COC)C(=O)NN	2020636876	ILDKQVDXKCXHLW-SNVBAGLBSA-N	245.323	-0.508	50	10	BBGE	
NNC(=O)COCCO[C@H]1CN2CCC1CC2	2021075114	XJAYQDHYJCYROR-JTQLQIEISA-N	243.307	-0.896	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@@H]2CCC[C@H]2C1	2021115859	RLBLOSIUYIOHIM-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H](C2)O3)ncc1B(O)O	2021434772	SWYYMLYGPPQXGW-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)C1(COc2cccc(C(N)=O)c2)CC1	2033726689	KAARXTMFFZILFF-UHFFFAOYSA-N	249.270	-0.066	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1[C@H]2CC[C@H]12	2041998918	ZDCZLAAKABYCDF-QWRGUYRKSA-N	245.087	-0.361	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CCNC[C@H]2C3)CC1	2043093724	JOWSXCVWBQFPGI-MFKMUULPSA-N	249.314	-0.137	50	10	BBGE	
O=Cc1ccc(Cl)c(F)c1B(O)O	2060111815	YVVFDIYTLFJHLU-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@@H]2CC[C@@H]2C1	2068702255	IAPUOYDDAIOXCX-RTCCRHLQSA-N	247.103	-0.036	50	10	BBGE	
N#Cc1ccc(NC(=O)NCC#CB(O)O)cc1	2077442137	XLSLLHRIPDZGBI-UHFFFAOYSA-N	243.031	-0.305	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210700310	WOCXGNHLQKUCNJ-HRDYMLBCSA-N	233.287	-0.450	50	10	BBGE	
OB(O)c1ccc(COC[C@H]2CCOC2)s1	2211080227	ZGRDVKHFIMJCPC-QMMMGPOBSA-N	242.105	-0.019	50	10	BBGE	
C[C@@H](CN1C[C@H](C)C[C@H](O)[C@@H]1C)C(=O)NN	2211252336	YEJWQPVCCOIGKI-KATARQTJSA-N	229.324	-0.296	50	10	BBGE	
CN1CC2(CCN2CC(F)(F)C(=O)NN)C1	2212317901	UTJOZTSQMOAKBK-UHFFFAOYSA-N	234.250	-0.999	50	10	BBGE	
NNC(=O)C1(Cn2cncn2)CCOCC1	2212442397	IZYMXZILUJZKBJ-UHFFFAOYSA-N	225.252	-0.935	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC2(F)F)c1	2212602771	JOYLIRUTZROIAF-LURJTMIESA-N	228.007	-0.172	50	10	BBGE	
CC1(Oc2ncccc2B(O)O)CC(N)C1	2212603240	DWNGPGLRSPGSFW-UHFFFAOYSA-N	222.053	-0.980	50	10	BBGE	
N[C@H]1CC[C@H](Oc2cc(B(O)O)ccn2)C1	2212609262	PDFNEVMAHSCXNC-IUCAKERBSA-N	222.053	-0.980	50	10	BBGE	
C[C@H](CCCO)Nc1ccc(B(O)O)cn1	2212611735	CNHMYEKCDSOQTQ-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
Cc1ncnc(OC2C[C@@H]3C[C@H]3C2)c1B(O)O	2216578846	YQNVBRCRNANJIL-YUMQZZPRSA-N	234.064	-0.358	50	10	BBGE	
N[C@H]1CC[C@@H](COc2ccc(B(O)O)cn2)C1	2217167311	MZZLFHVWJXZABZ-SCZZXKLOSA-N	236.080	-0.732	50	10	BBGE	
CC(C)C[C@@H](N)CNc1cc(B(O)O)ccn1	2217171561	CCXZITMSEZKYCN-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
C[C@@H](CCO)CCN=c1ccc(B(O)O)c[nH]1	2217174127	WGUKHZXYJBPMHP-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
CC[C@@H](N)CN(C)c1nccc(B(O)O)c1F	2217181615	SDDIWPBLWMTXTG-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
CC[C@H](O)[C@H](CC)Nc1ccc(B(O)O)cn1	2217202417	WNQBWRFMBVZYBY-UWVGGRQHSA-N	238.096	-0.277	50	10	BBGE	
C[C@@]1(C2CC2)CCCN1c1ncncc1B(O)O	2222748499	NDDXDHQTZNTLAM-LBPRGKRZSA-N	247.107	-0.075	50	10	BBGE	
C[C@H](Cn1ccnc1)Nc1ncccc1B(O)O	2223631996	DKQYJPJPYVZWCG-SECBINFHSA-N	246.079	-0.542	50	10	BBGE	
CCn1cncc1CNc1ncccc1B(O)O	2223639584	SDURKRBFCUVFEB-UHFFFAOYSA-N	246.079	-0.410	50	10	BBGE	
Cc1cnc(N[C@H]2CN(C)C[C@H]2C)cc1B(O)O	2223646488	LGOKPDVZGKIKMV-KOLCDFICSA-N	249.123	-0.568	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCC[C@@H]2N)cc1B(O)O	2223653050	NPPNENUJTNIXII-ONGXEEELSA-N	249.123	-0.391	50	10	BBGE	
CC1(C)C[C@H](N)CN(c2cc(B(O)O)ccn2)C1	2223672550	UFCLAMZOYNFCLM-JTQLQIEISA-N	249.123	-0.675	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1nncn1C	2223672794	HLWLGJFCMNHZGX-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
CC(C)CN(c1cc(B(O)O)ccn1)C1CNC1	2223675386	QSJFLBHLPZAVAZ-UHFFFAOYSA-N	249.123	-0.804	50	10	BBGE	
NC[C@H](O)CCC(=O)N[C@H]1C[C@H](Cl)C1	2241655570	OJSUZZZECPFRKM-BWZBUEFSSA-N	220.700	-0.028	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1coc(B(O)O)c1	2243346794	CUPRYGJIZLFFEB-VDTYLAMSSA-N	227.000	-0.953	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2nscc2B(O)O)[C@@H]1C	2243347306	LEPQFGYDXMOFFU-CNYLLVADSA-N	240.093	-0.793	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2243349521	MREBRJAOQIYGCN-LURJTMIESA-N	221.021	-0.981	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243364632	ZZMXCKSSZRUKOQ-HTQZYQBOSA-N	229.085	-0.485	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CC2)n[nH]1	2243364991	GFRJQTYEZGTLBV-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243397018	UJHDRPDNTLDDQI-UTLUCORTSA-N	221.065	-0.136	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)C#CB(O)O	2243399571	NTXPFSFGYYIOFN-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(F)cc1	2243404417	NVVXPEXOOBWNSZ-UHFFFAOYSA-N	220.996	-0.196	50	10	BBGE	
COC[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2243411280	QXHQNZUDCQHIKA-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CC1(CNC(=O)c2csnc2B(O)O)CC1	2243412337	KZMOZKLRHVXTJC-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H]2CC[C@H]2C1)B(O)O	2243412604	PZOYWQDOENSECC-IUCAKERBSA-N	245.109	-0.774	50	10	BBGE	
C=CCN(OC)C(=O)c1cscc1B(O)O	2244271871	JKVZRICEOCBPIN-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
C#C[C@@H]1CCN1c1cc(B(O)O)c(Cl)cn1	2245913379	QMEOYAGXBUACPK-SSDOTTSWSA-N	236.467	-0.373	50	10	BBGE	
COc1cc(C(=O)NCB(O)O)cc(Cl)n1	2246058405	AAAUSRMKZUEPKX-UHFFFAOYSA-N	244.443	-0.515	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H](n2cccc2)C1	2247743086	YXPHQEDQZYERIJ-JTQLQIEISA-N	232.048	-0.723	50	10	BBGE	
CCO[C@H](C)CNC(=O)c1occc1B(O)O	2247753384	GGHFKBOIKUXOLB-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
O=C(N1CC[C@@]2(CCO2)C1)C1(B(O)O)CCC1	2247754574	NBCBSTAWPYIZTL-SNVBAGLBSA-N	239.080	-0.225	50	10	BBGE	
O=C(Nc1ccnnc1)c1sccc1B(O)O	2247776060	TYYLFSLSDHBWDA-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H]1CCCO1	2247787508	PZSNTNINYMTWLN-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CO1	2247797893	OEPOKVNUYNDAKR-LGUIWLBCSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C12CCC2	2247798090	QBTXAHJTWSZUHR-KDXUFGMBSA-N	238.096	-0.765	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C(=O)C1CC(B(O)O)C1	2247809214	YHXHRXWQADZILS-AUXWQGHOSA-N	241.096	-0.389	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2[C@@H](CCC2(F)F)C1	2247846823	MSVLIHCJFZIQOH-JGVFFNPUSA-N	243.018	-0.495	50	10	BBGE	
Cc1cc(O)cc(C)c1NC(=O)C#CB(O)O	2247849897	GRWTWFDJVKZJNZ-UHFFFAOYSA-N	233.032	-0.037	50	10	BBGE	
O=C(C#CB(O)O)NCC1([C@H]2CCCO2)CC1	2247850616	QPZUWEPXDPUZIN-SECBINFHSA-N	237.064	-0.923	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCNC1	2247858395	DQFPFJZUEUZYRH-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	2247859017	JNYCOZASJJRVPX-KBDSZGMXSA-N	239.080	-0.636	50	10	BBGE	
CC1=CCN(C(=O)c2ccoc2B(O)O)CC1	2247866987	WDYLIZZTFSBBAV-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1coc(B(O)O)c1	2247871023	UXPDTSQPIRQNED-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)cc1OC	2247872054	MAMUFDXQDXKVFJ-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
O=C(NC1C[C@H]2CNC[C@@H]2C1)C1(B(O)O)CC1	2247872420	RNPBCJLJXBUTQV-YUMQZZPRSA-N	238.096	-0.892	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247878978	OSVXRTDIFLCVCX-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1[C@H]2CCNC[C@H]1CC2	2247886755	GATCWVDACVOMCV-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@@H](C)F)c1B(O)O	2247889830	AJSTXMRZHVNDMD-SSDOTTSWSA-N	240.043	-0.842	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@H](C)F)c1B(O)O	2247889831	AJSTXMRZHVNDMD-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247893128	MRUFJNMHKNYEBU-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@H]1CCO	2247894093	CHEFBAMTGGYJHP-AEJSXWLSSA-N	241.096	-0.387	50	10	BBGE	
O=C(NCC1(F)CC(CO)C1)[C@H]1C[C@@H]1B(O)O	2247896554	ZNXBQBQFQZIQKR-VHSUDJNHSA-N	245.059	-0.924	50	10	BBGE	
NCC1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCCCC1	2247898148	ASCIPAQGOISWEW-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1cccc(B(O)O)c1	2247971499	DFINAKNECHKGNL-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2249305261	HIOVZIIIBLTRFJ-WPRPVWTQSA-N	242.323	-0.659	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)O)C1	2253342493	RSRHHQHMNRWMHC-OIBJUYFYSA-N	243.263	-0.652	50	10	BBGE	
O=C(Nc1cccn2cnnc12)C1(B(O)O)CC1	2255488391	COJRDYNAMSICPP-UHFFFAOYSA-N	246.035	-0.325	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2nc[nH]n2)c1	2255514600	KZVIBBRFQKIXOB-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1n[nH]cc1B(O)O	2255550610	YJZJNGUHHXTMGG-ZXFLCMHBSA-N	249.079	-0.992	50	10	BBGE	
C[C@@H]1CCC=C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2255554970	URIJUKOUUIVKDN-VXNVDRBHSA-N	249.079	-0.826	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[C@H]1B(O)O	2255570826	JMBMZHBCZWZGTE-FBIMIBRVSA-N	248.091	-0.008	50	10	BBGE	
C#CCN(C(=O)c1cc(B(O)O)c[nH]1)C1CCC1	2255677166	CWQLREDRKKYOQB-UHFFFAOYSA-N	246.075	-0.678	50	10	BBGE	
O=C(NCCCc1cccnc1)[C@H]1C[C@H]1B(O)O	2255772050	ZUMPHOQSXTZTSX-WDEREUQCSA-N	248.091	-0.007	50	10	BBGE	
C#C[C@H](CC)NC(=O)Nc1cccc(B(O)O)c1	2255893586	SJDCYNALKTTYIK-SNVBAGLBSA-N	246.075	-0.100	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1cc(B(O)O)co1	2258126562	VUFDKMQTRHPNAK-JTQLQIEISA-N	247.059	-0.413	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2258126927	HLBALSONWCXULB-CUJWVEQBSA-N	247.059	-0.560	50	10	BBGE	
N#C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CCO1	2298165499	FWJZPMVFUWJJDO-LPEHRKFASA-N	238.291	-0.773	50	10	BBGE	
CO[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368683	RQSUNXLAVZAUSM-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298371232	DNXMYLYJRUTUDE-CDLYGTGVSA-N	239.080	-0.656	50	10	BBGE	
CC1(C)C[C@@H](O)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377250	JTPMMVQCOKGDNL-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCCc1ncco1)C1(B(O)O)CCC1	2300967754	CMFUWUUDUMXLEJ-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)C(C)(C)O	2317161477	MOHKYWSZHZCXGC-QMMMGPOBSA-N	248.091	-0.191	50	10	BBGE	
CN1CCN(C(=O)C(C#N)=CNC2CC2)CC1	2325467393	KXXIBFBOBLDRGM-UHFFFAOYSA-N	234.303	-0.080	50	10	BBGE	
CCN(CC)S(=O)(=O)C[C@@H](C)C(=O)NN	41278856	UJELRXBNNPPXJS-SSDOTTSWSA-N	237.325	-0.716	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CC(=O)O	42162891	USMBOFOBRFDQHO-MRVPVSSYSA-N	243.263	-0.907	50	10	BBGE	
CC(=O)N/N=C/c1c(C)nn(CCO)c1C	59914612	HYSIFFJBGHIUFT-IZZDOVSWSA-N	224.264	-0.038	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	70797362	GOZWSSXOAGRPBI-DSYKOEDSSA-N	234.683	-0.692	50	10	BBGE	
COCCN(CC(C)C)[C@@H](C)C(=O)NN	82469573	IMDRJTAVODXQRH-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
COCCN(CCC#N)[C@@H](C(=O)NN)C(C)C	110580873	ZRQMKEVWSXQYSY-SNVBAGLBSA-N	242.323	-0.137	50	10	BBGE	
CNC(=O)C1CCN(CCCC(=O)NN)CC1	110592922	LKSFGEORMLYQAQ-UHFFFAOYSA-N	242.323	-0.786	50	10	BBGE	
O=S1(=O)CCN(C[C@@H](O)CCl)CC1	157953933	GGYZJYWNXGHGDW-ZETCQYMHSA-N	227.713	-0.684	50	10	BBGE	
CC[C@H](CC(=O)O)NC(=O)NCN=C=O	170303853	CNHCZGYGBFFWNQ-ZCFIWIBFSA-N	215.209	-0.168	50	10	BBGE	
NC[C@@H](Br)P(=O)(O)O	196113557	NLMVXUYWNBDBAP-REOHCLBHSA-N	203.960	-0.156	50	10	BBGE	
CN(/C=C(/C#N)C(=O)NCCCl)CCO	217236470	TXEULXLCMRPOAL-FPLPWBNLSA-N	231.683	-0.327	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)CC(C)(C)O	221686770	ALVLSUOPZGGRID-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](CCO)C1	227444413	KGEPAOMEIVLHHU-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CCc1nccn1[C@H](COC)C(=O)NN	232421068	VPTJVTFGRLWHEV-SSDOTTSWSA-N	212.253	-0.377	50	10	BBGE	
C[Si](C)(C)OC(=O)[C@H](N)CCC(N)=O	238530792	BAEWYISTOQDRSG-ZCFIWIBFSA-N	218.329	-0.043	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O)C(=O)NN	305961640	FLHVIICBYUTJCU-SKHVAJMDSA-N	239.319	-0.687	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1c[nH]c(=O)[nH]1	306584854	GSUICJPDVJDSHD-SCSAIBSYSA-N	203.629	-0.054	50	10	BBGE	
C[S@@](=O)(=NC(=O)C(=O)NN)c1ccccc1	395944940	LTDUXOOOGSTHLN-INIZCTEOSA-N	241.272	-0.340	50	10	BBGE	
C[C@H](Cl)C(=O)c1c(CO)cccc1B(O)O	396043823	WDCGBGGVHOVUCH-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
C[C@H](CN1CCCOC[C@H]1C)C(=O)NN	398906634	GCLZVUBIQPHJME-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@@H]1O	399955981	ZSMCYKXQDAGKCU-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
COC1(CO)CCN(C[C@H](C)C(=O)NN)CC1	402733253	SHMILZWXFWZUHN-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
O=C(Cn1ccnc1)Nc1ccc(B(O)O)cc1	404914329	MPUBMVVQFVTZPO-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
CO[C@H](C)C(=O)Nc1ccc(F)c(B(O)O)c1	404996980	HLLYKCWYBQEOOW-ZCFIWIBFSA-N	241.027	-0.521	50	10	BBGE	
N#Cc1ncn(Cc2csc(C(=O)NN)c2)n1	689088217	XNKRPCLVNJFDQF-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
OB(O)c1ccn(CCOCC2CCCC2)n1	694306183	APKCYTMHBAEBJS-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
COCCC1(C(=O)NN)CCNCC1	700070440	PHOXXDKHGIWKNR-UHFFFAOYSA-N	201.270	-0.617	50	10	BBGE	
CC(=O)Nc1cccc(C(=O)NNC(N)=O)c1	700872776	HIFMDBULXPWGSP-UHFFFAOYSA-N	236.231	-0.042	50	10	BBGE	
NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCCl	703193377	QXLTWZVTMWWPNP-CRCLSJGQSA-N	222.628	-0.760	50	10	BBGE	
O=C1NCCC[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	703436004	KVDNCNIGYCIYQW-FXQIFTODSA-N	238.243	-0.819	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1CC(C(N)=O)C1	703530509	CEZTYYVQTCXKMT-UHFFFAOYSA-N	242.323	-0.802	50	10	BBGE	
CNNC(=O)c1cccc(-c2nn[nH]n2)c1	704654868	KJBLDGKHYNRZNY-UHFFFAOYSA-N	218.220	-0.269	50	10	BBGE	
NC(=O)c1cccc(C(=O)NNC(N)=S)c1	706019439	RSGTXPIMFFHJGN-UHFFFAOYSA-N	238.272	-0.737	50	10	BBGE	
CCO[C@]1(C(=O)NNC(N)=S)CCOC1	706054425	YYKXRUYBUZOKNF-MRVPVSSYSA-N	233.293	-0.954	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@@H]1CN(C)CCO1	709408923	VDCKYLBCYPVLQJ-UWVGGRQHSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@H](N)C2)c1	711161347	SYVMGBZPGIGAGE-QMMMGPOBSA-N	240.332	-0.115	50	10	BBGE	
C[C@H](C(=O)NNC(N)=O)[C@H]1CCCCO1	711913085	MHJLFEVVGLFOJH-NKWVEPMBSA-N	215.253	-0.109	50	10	BBGE	
CC[S@](=O)N1Cc2cccc(B(O)O)c2C1	713203681	ATEKVCZYWUZUTQ-INIZCTEOSA-N	239.105	-0.634	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)COC1CC1	716960548	AJZFSJGIZJFCHE-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
COC[C@@H](Cl)CNCC1CS(=O)(=O)C1	722771305	FPHNIIDXEFTMOX-QMMMGPOBSA-N	241.740	-0.126	50	10	BBGE	
O=[N+]([O-])[C@@H]1C=CC([C@H]2NN=C(CCl)O2)=[S+]1	725562544	PZZWZXCOIGMLLH-BQBZGAKWSA-N	248.671	-0.088	50	10	BBGE	
C[C@H](Cl)CN[S@@+]([O])(=O)c1c[n+](C)n[nH]1	725702987	VDZKVIVRNWREEZ-OVZGEXIGSA-O	239.708	-0.430	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCNC1=O	862500658	UXGVJLZLPDHCOT-MRVPVSSYSA-N	234.259	-0.609	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)O1	865014368	DMWKIXDJWHELFJ-SSDOTTSWSA-N	243.263	-0.178	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNc1nccc(OC)n1	900159413	FZXXHLNIFPQRQQ-KFOINNEUSA-N	238.247	-0.135	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)C(N)=O	901278228	MALXGNVCFBZIDF-UHFFFAOYSA-N	214.269	-0.464	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(Cl)no1	1136379856	OZSBWYDEDJEEIL-UHFFFAOYSA-N	218.600	-0.098	50	10	BBGE	
C#C[C@H](C)NC(=O)NNC(=O)c1ncon1	1230478943	SJANXIVPJWWKFA-YFKPBYRVSA-N	223.192	-0.965	50	10	BBGE	
N#Cc1ccc(NNC(=O)Cn2ncnn2)nc1	1303434250	KKQWLVHOVBNDIJ-UHFFFAOYSA-N	244.218	-0.917	50	10	BBGE	
CN(NC(=O)[C@@H](O)c1ccccn1)C(N)=O	1321139079	BEFOBSRGWIUVRQ-ZETCQYMHSA-N	224.220	-0.843	50	10	BBGE	
CC(C)NC(=O)NNC(=O)[C@H]1CCC(=O)O1	1329700029	HXQJGYNKUJZQNY-ZCFIWIBFSA-N	229.236	-0.569	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1ccncc1	1440526085	ITEKVMYBULHMNP-UHFFFAOYSA-N	231.215	-0.121	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NCC#N)cn1	1464716507	BKDMICHLWJESHY-RUDMXATFSA-N	215.216	-0.033	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNC(=O)c1cc[nH]n1	1629180140	JYLRMRJYAQABIB-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O	1630972664	QUFXHOQPJQADJY-LURJTMIESA-N	230.268	-0.906	50	10	BBGE	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NN)O1	1879957863	JIVUXORIKWWJRL-ZCFIWIBFSA-N	231.252	-0.083	50	10	BBGE	
O=C(NCC=CB(O)O)C1CSC1	1883500847	CEWSXMWZXRILNH-UHFFFAOYSA-N	201.056	-0.966	50	10	BBGE	
CCN(CCF)C[C@@H]1C[C@H]1C(=O)NN	1886422302	AYNMVLFXPMQVQI-JGVFFNPUSA-N	203.261	-0.096	50	10	BBGE	
C#Cc1cc(B(O)O)c(C)c(C(=O)OC)c1	1887520799	MMEUYBSEMPEDRX-UHFFFAOYSA-N	218.017	-0.557	50	10	BBGE	
O=C(O)CONC(=O)NC[C@H]1C[C@@H]1Cl	1893119930	RPWFIIUXZCBZJU-UHNVWZDZSA-N	222.628	-0.071	50	10	BBGE	
CN1CC(CNC(=O)C=CC(=O)Cl)C1	1893417480	OSWQVFLEXWMAIN-UHFFFAOYSA-N	216.668	-0.014	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCOC2=O)C1	1895940349	CVASMSQHXVMADF-JGVFFNPUSA-N	227.264	-0.155	50	10	BBGE	
NNC(=O)CN1CC[C@H](O)C[C@@H]1C(F)(F)F	1899998020	JOVBJJFNYFKXMY-NTSWFWBYSA-N	241.213	-0.636	50	10	BBGE	
N#CC1(F)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	1901277492	GJZAQKVUJPROJQ-LJGSYFOKSA-N	226.016	-0.687	50	10	BBGE	
Cc1cc(OC[C@@H]2CCO2)cc(B(O)O)c1	1901307304	OEPIEGZMDMUWEA-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@@H]1CN	1901341597	XHTDNGVCVKPAOA-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
CN[C@@H](C)CC(=O)NN(C)S(=O)(=O)C1CC1	1901342249	JBEHKDOZAVIWPJ-ZETCQYMHSA-N	249.336	-0.560	50	10	BBGE	
O=C1C[C@@H](CN2CC[C@H](B(O)O)C2)CCN1	1902545318	GNLNYYDSXJBFQK-IUCAKERBSA-N	226.085	-0.939	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1sncc1B(O)O	1904912865	FAHDNXVZBQPFSY-URHBZAFASA-N	244.056	-0.947	50	10	BBGE	
COC1CC(N(C)CC2(C(=O)NN)CC2)C1	1914824188	MJBAFFRWBGWWFS-UHFFFAOYSA-N	227.308	-0.134	50	10	BBGE	
N#CC1(O)CCN(c2nccnc2C(N)=O)CC1	1917202127	XLWIJOFVZGYOKI-UHFFFAOYSA-N	247.258	-0.570	50	10	BBGE	
COCC[S@](C)(=O)=NC[C@@H](C)C(=O)NN	1918072420	PGTQYMWXHHIJJP-MLXNANBUSA-N	237.325	-0.643	50	10	BBGE	
COC[C@@H]1CC[C@H](N(C)CC(=O)NN)C1	1918713641	IKMGNFYMDALELK-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)COCCSC[C@@H]1CCCO1	1928182264	XPNJUFXHLVAFRF-QMMMGPOBSA-N	234.321	-0.095	50	10	BBGE	
CN(CCC(=O)NN)CCN(C)C1CC1	1928247829	DLXVMGJSPMDKTJ-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC12CC2	1930231883	PJAGOVCXOXAEDI-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
COC1CCN(CC(F)(F)C(=O)NN)CC1	1935945382	TUCZEOMNLMMTHX-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1936094257	LPIGAACAMGKFPF-LURQLKTLSA-N	225.292	-0.273	50	10	BBGE	
C[C@H](CN1CC[C@@]2(CCCO2)C1)C(=O)NN	1936297797	SHXMKCQPDBWXOR-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)[C@@H](C)C(=O)O	1936380571	FXIUPSODQIFWJA-RITPCOANSA-N	248.304	-0.004	50	10	BBGE	
O=C(CCn1cnnc1)N[C@H]1COC[C@H]1Cl	1937144900	HEAXWDPXVIRDIO-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
O=C1CN(C[C@@H]2[C@H]3CCOC[C@H]32)CC(=O)O1	1937577390	PFWDNZVQRWKMPO-IWSPIJDZSA-N	225.244	-0.346	50	10	BBGE	
C[C@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C[C@@H](C)N1C	1941089678	KWSCEKHFSXDXBF-YTWAJWBKSA-N	240.351	-0.363	50	10	BBGE	
CN1CC(N(C)Cc2cc(C(=O)NN)no2)C1	1941724802	FIJVXQLJIAZTRK-UHFFFAOYSA-N	239.279	-0.976	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)CCCO1	1941774734	MCUDKSPFHYJWKG-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
Cc1ncc(O[C@@H]2CCCOC2)cc1B(O)O	1944010234	APOQXYQPQVYRGP-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC1)C[C@@H]2CO	1944028819	FSYVCJJYSWUXPX-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](O)C[C@@H]1C	1944581895	YBVAPJATLBJKMH-NRPADANISA-N	243.307	-0.755	50	10	BBGE	
CCc1nn([C@@H]2CCCO2)c(CC)c1B(O)O	1944688769	JNMIBOZNFIENID-JTQLQIEISA-N	238.096	-0.003	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C[C@@H]1C[C@@H]1C(=O)NN	1947203452	PPRZJDDWLNRGNU-RCWTZXSCSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@@H]1CC(=O)NC1=O	1956858425	MQLNAERDEXHBRC-RFZPGFLSSA-N	218.640	-0.513	50	10	BBGE	
C[C@H](O)[C@H](CO)N1C[C@](C)(CCl)C1=O	1957186746	QDYHVXWLALLISH-ZKWXMUAHSA-N	221.684	-0.185	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@]2(C(=O)O)C[C@@H]12	1958833889	RDOWOLKZDQMYQW-CCGCGBOQSA-N	213.237	-0.375	50	10	BBGE	
C[C@H](CN1CCN(C)[C@@H]2C[C@H]21)C(=O)NN	1960968097	RYNKQQMEHXUMOA-IWSPIJDZSA-N	212.297	-0.999	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCO[C@H]2C1	1961584324	MLAQURGIZWUSNS-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](OCCN1CCCCC1)C(=O)NN	1974690001	JCFILRMMTCZBOH-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)(C)Cn1cccc(B(O)O)c1=O	1975101954	ZITGJWRMINDGTJ-UHFFFAOYSA-N	209.054	-0.426	50	10	BBGE	
C[C@@H](C(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	1976994243	HIIFTRQJNRWECT-IYSWYEEDSA-N	229.041	-0.925	50	10	BBGE	
NNC(=O)COCCN1CC(C2CCC2)C1	1981242087	JPIVMFYSHGJTFC-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
Cc1nc(N2CC(C)(C)C2)ccc1B(O)O	1981469143	NJFFOCHWLPCPNI-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@H](O)C1CN(CCC(F)(F)C(=O)NN)C1	1984130836	ZKVJJUAZYRGRRU-LURJTMIESA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cc(C(=O)NN)co1	1985740201	GOGXTEKHXDRMRQ-HZGVNTEJSA-N	225.248	-0.552	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]21	1987061794	OWIDHUYCXZJMBU-CIUDSAMLSA-N	227.308	-0.278	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccsn1	1990774185	FZDPMNREJHSPJE-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
Cc1ncnc(O[C@H]2CC2(C)C)c1B(O)O	1993464922	SFPBXPDTQGABLV-ZETCQYMHSA-N	222.053	-0.358	50	10	BBGE	
C#CCN1CC[C@@H](NC(=O)NC(=O)CCl)C1	1994297801	ZLZUSIBCYZAQFK-MRVPVSSYSA-N	243.694	-0.242	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	1999420317	CYGMYGHKDSISME-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	2001044922	DGITUNDYRORIRG-YUSALJHKSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@@]1(C)CO	2003269396	WGDBYDWYJZIFQX-IQJOONFLSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cncnc1OCC1CC(F)(F)C1	2004934972	JRNIMGCYGVXJJA-UHFFFAOYSA-N	244.006	-0.420	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)c(C)n2)c(C)n1	2005008582	ZZKKOAMKRBJGQM-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
CN(C)CCC1CN(CC(C)(C)C(=O)NN)C1	2007723040	USNJSFUYPUUUPE-UHFFFAOYSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(CCCC(=O)NN)C1=O	2007786290	VXXPNZUVPCPJCC-YUMQZZPRSA-N	241.291	-0.212	50	10	BBGE	
CCc1ncncc1CN(C)[C@H](C)C(=O)NN	2009050933	SJGAERCZWYIEFV-MRVPVSSYSA-N	237.307	-0.151	50	10	BBGE	
COC[C@@]1(F)CCN(CCOCC(=O)NN)C1	2009641510	FSIPXFAFYSMLIL-SNVBAGLBSA-N	249.286	-0.947	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCCC(F)(F)[C@@H]2C1	2015844322	MOWIHHCQUSTOGA-RNFRBKRXSA-N	247.245	-0.130	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CC(=O)NNC(C)=O	2019209847	LYBPMJRGDJNVCH-KXUCPTDWSA-N	241.291	-0.737	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)C1[C@H]2COC[C@H]12	2020067076	CRMVPLXRORRQMW-ACLDMZEESA-N	237.064	-0.904	50	10	BBGE	
C[C@]12CNC[C@@]1(C(=O)N1CCC(O)(C#N)CC1)C2	2046819926	OBGAAVXYNUXNAG-WCQYABFASA-N	249.314	-0.137	50	10	BBGE	
CCOc1c(B(O)O)cnn1C(C)(C)C	2059944311	BJTPAOZCDAAHDQ-UHFFFAOYSA-N	212.058	-0.283	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc2ncnn12	2076082357	SVYRIIHGBZJBNQ-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
CC#CCCCNC(=O)c1ccc(B(O)O)cc1	2083493116	BWQUJBKWXYJPLV-UHFFFAOYSA-N	245.087	-0.100	50	10	BBGE	
Cc1c(NC(=O)C(=O)NN)cnn1C1CC1	2211635664	BYLMADUMUDTYJE-UHFFFAOYSA-N	223.236	-0.545	50	10	BBGE	
CN1CC[C@H](COCC(F)(F)C(=O)NN)C1	2211767477	OZQDWJMXCILWGS-ZETCQYMHSA-N	237.250	-0.420	50	10	BBGE	
C#CCC1CN(c2ccc(B(O)O)cn2)C1	2212603323	FFMRERJSNCIQIC-UHFFFAOYSA-N	216.049	-0.779	50	10	BBGE	
CC(C)CCN=c1[nH]ccc(B(O)O)c1F	2212605855	LBJLGJVPYRRUAG-UHFFFAOYSA-N	226.060	-0.220	50	10	BBGE	
CCNCCCOc1ncccc1B(O)O	2212607688	LVSYVGIEPKUSFH-UHFFFAOYSA-N	224.069	-0.860	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CCC2)[C@H]1CO	2216495336	NGMUARBRTHRQMO-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](O)CNc1nccc(B(O)O)c1F	2217181400	PLRYUBVRZGKEGS-QMMMGPOBSA-N	242.059	-0.671	50	10	BBGE	
N[C@H](COc1ncccc1B(O)O)CC1CC1	2217188811	UCOGJLMWIITVNY-VIFPVBQESA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccc(F)c(OCCOCCF)c1	2217458766	KNJDIWZPALVMLE-UHFFFAOYSA-N	246.018	-0.130	50	10	BBGE	
OB(O)c1cccc(CN2CCCC[C@H](O)C2)c1	2220066115	RQAUINPHZQSEIL-ZDUSSCGKSA-N	249.119	-0.287	50	10	BBGE	
Cn1ncc2c1CN(C[C@@H]1CC[C@@H]1C(=O)NN)C2	2221567269	NWEPSUUHXUGUND-WPRPVWTQSA-N	249.318	-0.248	50	10	BBGE	
CC#CC[C@@H](CO)Nc1cc(B(O)O)c(C)cn1	2223643830	AZHRFYQHJYDVCG-JTQLQIEISA-N	248.091	-0.744	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1Nc1cc(B(O)O)ccn1	2223675859	UFANJQDZINGBPL-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H]1[C@@H](O)CO	2241830370	KDFDBYYHZWQXMO-CWKFCGSDSA-N	219.668	-0.432	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1COC2(COC2)C1	2241848047	YOFXEQCJSBFVRU-LURJTMIESA-N	241.696	-0.340	50	10	BBGE	
CC1(C)C(=O)NC[C@H]1NC(=O)/C=C/C(=O)Cl	2243246273	YYQGHHNQINBECO-FCJGRKLLSA-N	244.678	-0.051	50	10	BBGE	
O=C(N1CCCC[C@H]1CO)C1(B(O)O)CC1	2243365879	UKOAUHMLZLDQIJ-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
CCN(OC)C(=O)c1scc(C)c1B(O)O	2243377705	FPUGDHAKLUKNMC-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)[S@@](C)=O	2243395999	FYHFPRNZWNYJJV-QXBQRDJISA-N	247.125	-0.877	50	10	BBGE	
COCCCNC(=O)c1csc(B(O)O)c1	2243407088	LKOGDSSYMGMWBK-UHFFFAOYSA-N	243.093	-0.806	50	10	BBGE	
O=C(Nn1cccc1)c1ccsc1B(O)O	2243408614	QJLSSXYMLHSFOM-UHFFFAOYSA-N	236.061	-0.387	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1csc(B(O)O)c1	2243408781	UZMYMJAHCQDESP-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
O=C(NCC1CCC1)c1nscc1B(O)O	2243409577	KUBOVDYVMYCRHJ-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC12CCC2)B(O)O	2243412132	HHWVVUPANRVRLR-UHFFFAOYSA-N	245.109	-0.487	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)C(C)(C)C)B(O)O	2243412858	VDSBKVMBXBLUKI-QMMMGPOBSA-N	249.141	-0.091	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@H]1C[C@@H]1B(O)O	2243420511	UTZNOVSJOWIWSN-OYHYWLCWSA-N	221.065	-0.380	50	10	BBGE	
NNC(=O)NC[C@@]12CCCC[C@@H]1CC(=O)N2	2244391911	UEAMLDXHLIDWFA-XCBNKYQSSA-N	226.280	-0.392	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1O[C@H]2C=C[C@H]1C2	2247736038	RPOWGSOPKJYCDX-YUMQZZPRSA-N	235.004	-0.956	50	10	BBGE	
Cc1ccc(C(=O)N2CCC2=O)cc1B(O)O	2247752819	WHMFNQAEHPOBAJ-UHFFFAOYSA-N	233.032	-0.953	50	10	BBGE	
N[C@@H](CNC(=O)C1(B(O)O)CC1)c1ccco1	2247754240	LIQWHNLZIVAHSE-ZETCQYMHSA-N	238.052	-0.597	50	10	BBGE	
CC1(C)CC(=O)N1C(=O)c1occc1B(O)O	2247755098	IVNFZOGWMSIVIA-UHFFFAOYSA-N	237.020	-0.890	50	10	BBGE	
C[C@H]1C[C@@H](CNC(=O)C2(B(O)O)CC2)CN1C	2247756197	MRKGYOUTQOVFQE-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CN(C)[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247758513	ZYURMSHPGSLMOO-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
O=C(NC1CCCCC1)c1n[nH]cc1B(O)O	2247782891	YOMFHYDYFMMRIE-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
O=C(NCC[C@H]1CCNC1)[C@H]1C[C@@H](B(O)O)C1	2247791203	LMQPACWUBJQENO-BBBLOLIVSA-N	240.112	-0.645	50	10	BBGE	
CC1(C)COCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247796863	DMRFONDOGKTDMN-BDAKNGLRSA-N	241.096	-0.266	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1cnn(C)c1	2247810543	YGDDGLQGHSSVPT-UHFFFAOYSA-N	237.068	-0.364	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](CO)C(C)(C)C	2247810735	ZTQODTHIHSIQDP-HRDYMLBCSA-N	243.112	-0.285	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1[C@H]2CCC[C@H]1C2	2247851181	WJBHRSQMQZAYPJ-IUCAKERBSA-N	234.064	-0.539	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H](CO)CC1CC1	2247873165	GBPBITNBFYFGQG-SECBINFHSA-N	241.096	-0.387	50	10	BBGE	
COCCNC(=O)c1ccc(B(O)O)c(C)c1	2247873924	HMYYBGJKVHNGCV-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
CCC(O)(CC)CN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247896039	DFTCJTBZXACKJB-IUCAKERBSA-N	243.112	-0.141	50	10	BBGE	
C[C@@H](O)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247896753	JYZFJBJHOILKGC-JEZHCXPESA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC[C@H]1C[C@@H](O)C1)C1CC(B(O)O)C1	2247909342	ISONKXHRIHNRNA-RZEHBIPHSA-N	241.096	-0.483	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)cc1CC	2248430455	YWQLBJDKNRZROS-UHFFFAOYSA-N	231.060	-0.109	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248577534	NOMAWATVNKNUEU-RQJHMYQMSA-N	243.068	-0.391	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cocc2B(O)O)C1	2249424092	OEHGDDRYUVXJSR-OCAPTIKFSA-N	233.032	-0.899	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1CC[C@H]2C[C@@H]21	2255456557	PUZQHBXPDSZJBG-UJNFCWOMSA-N	249.075	-0.170	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(B(O)O)ccc1C	2255515121	SSACRYRZYLBPJR-VIFPVBQESA-N	249.075	-0.089	50	10	BBGE	
COc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1B(O)O	2255555139	WSYRTNBGNXWFHL-GMSGAONNSA-N	249.075	-0.487	50	10	BBGE	
O=C(Nc1ncnc2[nH]cnc12)[C@@H]1C[C@@H]1B(O)O	2255561174	FBGWNGJQCZTVSS-UHNVWZDZSA-N	247.023	-0.846	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@H](C2CC2)C1	2255681136	PPZYQEONMXCXKV-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@@H]2CC[C@H]2C1	2255717973	RZONSICSJRLSAU-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
C[C@]1(NC(=O)c2n[nH]cc2B(O)O)C=CCCC1	2255762712	ZWSUEVZGIKVJTN-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
C#CC(C)(C)C(=O)NCc1ccccc1B(O)O	2256639120	HDTAOGOITVRJIM-UHFFFAOYSA-N	245.087	-0.358	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1cocc1B(O)O	2258124670	GXNMXXSCVORYIV-AKZRSSKFSA-N	249.075	-0.122	50	10	BBGE	
O=C(NCCC[C@H]1CCCN1)[C@@H]1C[C@H]1B(O)O	2298371569	PECAAJMEBKTFRB-OPRDCNLKSA-N	240.112	-0.502	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@H]1C2)[C@H]1C[C@H]1B(O)O	2298375633	TUFHMBSYVILKPT-LOKLDPHHSA-N	239.080	-0.608	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C[C@@]1(C)O	2298375786	ZJOXOZJFRSKKOE-PKIKSRDPSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298463147	RZRDMCMFVZTVCP-OSMVPFSASA-N	241.052	-0.829	50	10	BBGE	
CC1(C)[C@H](O)CN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300365049	WZLWZMTVTPSJPC-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)c[nH]1	2312848099	MIVSXOMXBBERIU-MRTMQBJTSA-N	248.091	-0.387	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1cnc[nH]1	2317163564	QTYPHDJRCZXXAQ-UHFFFAOYSA-N	242.047	-0.427	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2321007367	AIAPQFBKAQWLRM-KOLCDFICSA-N	248.091	-0.236	50	10	BBGE	
Cc1nc(C2CC2)[nH]c(=O)c1C(=O)NN	37400307	JJVKLYQRHJWTTD-UHFFFAOYSA-N	208.221	-0.441	50	10	BBGE	
COC(=O)CN1CCN(C(=O)CCl)CC1	37498039	QMFQFWMCPXLCDE-UHFFFAOYSA-N	234.683	-0.458	50	10	BBGE	
CN(C)C[C@H]1CCCN1CC(=O)NN	82468626	DAMZFLFXKNEAGF-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCN1CCCC1	82469051	MKAIRVBKTPZAIC-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
CN(C)C(=O)CNS(=O)(=O)CCl	82511860	PDYCZDGEVKLGGH-UHFFFAOYSA-N	214.674	-0.810	50	10	BBGE	
O=C1CC[C@H](NS(=O)(=O)CCl)CN1	82516207	HOHZDJQEAZMTAM-YFKPBYRVSA-N	226.685	-0.619	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CN(C)CCN1C	82669070	JYVWSBRMJPVRDG-BDAKNGLRSA-N	233.743	-0.024	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C(=O)[C@@H](C)Cl	85088986	HEUSMKKBDLKFRC-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)CCc1nnn[nH]1	95135565	ZKYZHJLWHLRLRP-RXMQYKEDSA-N	217.660	-0.172	50	10	BBGE	
OB(O)C1=CC[C@@H](N2CCOCC2)CC1	211550300	XDANBBIORJLSBJ-SNVBAGLBSA-N	211.070	-0.191	50	10	BBGE	
CC(=O)NNC(=O)CN(CCO)C1CCC1	221165121	KQFOXJOLFNKCEE-UHFFFAOYSA-N	229.280	-1.000	50	10	BBGE	
O=S(=O)(CCCl)NCCc1ncn[nH]1	232300029	WFWQPRKKKURAAQ-UHFFFAOYSA-N	238.700	-0.495	50	10	BBGE	
C[C@]1(C(N)=O)CCN(CCCCC(=O)NN)C1	235747075	XMUURCHOFHQCPZ-NSHDSACASA-N	242.323	-0.656	50	10	BBGE	
O=C1NC[C@@H](Br)N2CNC[C@H]12	307063632	PTKUPPGQBIGOJH-UHNVWZDZSA-N	220.070	-0.932	50	10	BBGE	
CC(C)(C)OC(=O)NNS(N)(=O)=O	307748520	CASOMXDRQZBMOU-UHFFFAOYSA-N	211.243	-0.781	50	10	BBGE	
NC(=O)[C@]1(O)CCN(CCOCCCl)C1	308822062	GVMJKBSRCMCMNO-VIFPVBQESA-N	236.699	-0.836	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1CCO	308864116	KOHZTSKWEUYSBW-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](C)[C@@](C)(CN)C1	310336154	BJCDAYIBUGTGOQ-FOGDFJRCSA-N	242.367	-0.082	50	10	BBGE	
CS(=O)(=O)CCN[C@@H]1COC[C@H]1Cl	323362350	LGBDOAGWXZUDDV-RNFRBKRXSA-N	227.713	-0.373	50	10	BBGE	
CCOC(=O)Cc1cnc(Cl)c(B(O)O)c1	380890233	MVWZASKQGXUHJA-UHFFFAOYSA-N	243.455	-0.480	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@](C)(CO)C1	381327349	AJIDIKOHXIMRRD-GXSJLCMTSA-N	229.324	-0.295	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CCN(C)C[C@@H]2C1	383972275	YRWMPJUJAYHYLY-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
CCN1C[C@H](NC(=O)NC(=O)CCl)CC1=O	391464186	BGVCRHNNWNXIJT-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CN(C)CC1CN([C@H](C(=O)NN)C(C)(C)C)C1	395824457	VOVMPUWXEYSFDO-SNVBAGLBSA-N	242.367	-0.116	50	10	BBGE	
COc1cc(CCC#N)cc(B(O)O)c1	396027712	BPUBIDUVPIAPOE-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
OCc1cc(B(O)O)c2sccc2c1O	396336714	GLOKJZKKZQPLFG-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
CCC1(C(=O)Nc2cccc(B(O)O)n2)CC1	405006577	NCRVFODCVBEONL-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CNC(=O)Nc1ccc(F)c(B(O)O)c1	405130893	FWOLECCRBHLQCO-UHFFFAOYSA-N	211.989	-0.743	50	10	BBGE	
C[C@H]1N[C@@H]([N+](=O)[O-])[C@@H](Br)N1	585664322	MZIGAFSLBFKOQL-UZBSEBFBSA-N	210.031	-0.151	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@@H]2C1	685958282	WKEYGAKNJVVDLE-PHDIDXHHSA-N	205.208	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690156027	PVTVSMYLTALISY-SVRRBLITSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)CCCN1CCO[C@H](C2CC2)C1	694830661	WCFKSIDMVYJOEX-JTQLQIEISA-N	227.308	-0.133	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@@H]1C(N)=O	695105205	XEACRXOTQZHZDU-BDAKNGLRSA-N	242.323	-0.659	50	10	BBGE	
CCO[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	706445990	GPTPNFGRYILTSR-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CCC(=O)N1CCc2c(B(O)O)cccc21	712229516	WQBNMNISOOANMB-UHFFFAOYSA-N	219.049	-0.335	50	10	BBGE	
CNC(=O)N1Cc2cccc(B(O)O)c2C1	713288254	ZFYJENAHISJYMB-UHFFFAOYSA-N	220.037	-0.979	50	10	BBGE	
CC1=C(C(=O)NCB(O)O)C2=CCC=CC2=N1	725696119	FTZHKTMFFYWOGK-UHFFFAOYSA-N	232.048	-0.271	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)CCc1ccccc1	746191333	PCLSUVPJHRLRPY-UHFFFAOYSA-N	249.270	-0.358	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ccncn2)CO1	861873167	GIJKNIKDWXQXED-YFKPBYRVSA-N	223.192	-0.972	50	10	BBGE	
C[C@@H](CCl)NS(=O)(=O)c1cn(C)nn1	888082182	JOBJCQZYEOSGNP-YFKPBYRVSA-N	238.700	-0.279	50	10	BBGE	
CCOc1cc(C(=O)NN(C)C(N)=O)on1	1137624086	SAYFWAVOJLVSES-UHFFFAOYSA-N	228.208	-0.271	50	10	BBGE	
Cc1nnc(NNC(=O)NC2CC2)n1C	1339304802	BNMIILWFOOUSPD-UHFFFAOYSA-N	210.241	-0.088	50	10	BBGE	
CNc1ccc(C(=O)NNC(=O)CO)cc1F	1650909556	DLMWDJHVPGGEEY-UHFFFAOYSA-N	241.222	-0.379	50	10	BBGE	
CC[C@H](CC(F)F)C(=O)NNC(=O)CO	1654451053	OWHLWIXWXQMNQB-RXMQYKEDSA-N	224.207	-0.193	50	10	BBGE	
Cn1ncc2c(=O)n(C/C=C/C#N)nnc21	1656378543	SZEZTJUIKYULBW-NSCUHMNNSA-N	216.204	-0.395	50	10	BBGE	
C[C@@H]1C[C@H](OCCC(=O)NN)CCO1	1878005238	GEVRXSPKPLHHFT-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC1OCCO1	1880446866	PERBPSMOVXEZKI-UHFFFAOYSA-N	219.624	-0.203	50	10	BBGE	
C#C[C@H](CBr)NC(=O)c1cnn[nH]1	1881932236	JGTUMJMGXOXDRG-RXMQYKEDSA-N	243.064	-0.069	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)C1	1883649240	NGVZPNZNUPFYQQ-IPWVHJGXSA-N	203.625	-0.099	50	10	BBGE	
O=S1(=O)C[C@@H](O)[C@@H](NC2CC(Cl)C2)C1	1884419706	MSASLTYZJXMCOL-RLXKETGRSA-N	239.724	-0.496	50	10	BBGE	
CN(C)NC(=O)[C@]1(O)C[C@@H]1C(F)(F)F	1892574935	NPPYYADHVOVJFY-NJGYIYPDSA-N	212.171	-0.108	50	10	BBGE	
NC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1Cl	1893454333	VZYWGNGFVRTSRK-CSMHCCOUSA-N	218.684	-0.200	50	10	BBGE	
CC(C)(CCN1CCO[C@@H]2C[C@@H]21)C(=O)NN	1895084184	MBPCWIWQJXWITC-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
O=C(/C=C(\C(=O)O)C(F)(F)F)NNCCO	1899571970	DRKQLDVLTWOSNP-ONEGZZNKSA-N	242.153	-0.827	50	10	BBGE	
C[C@@H](CN)C(=O)NN(C)S(=O)(=O)C1CCC1	1901341899	CBBUZLHKDDYEOU-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CC[C@@H](CN)C(=O)NN(C)S(=O)(=O)C1CC1	1901348243	FDOKIMYYEASISO-ZETCQYMHSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@H]1CC[C@H]1N	1901375365	KTYGDVJZYQFUME-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@@H]1C)C(=O)NN	1902713936	QXNPKWMHNBHYKM-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
CC(C)(O)CSc1cc(B(O)O)c(F)cn1	1903009449	FLTLURGLTPSBBV-UHFFFAOYSA-N	245.084	-0.237	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1ncccn1	1905374868	RPZZDQRHZQLNIL-ZCFIWIBFSA-N	243.650	-0.013	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CC(=O)NC1=O	1905558713	LCUUTEYNGODYII-WHFBIAKZSA-N	218.640	-0.607	50	10	BBGE	
COC1CC(N(C)C[C@@H](C)C(=O)NN)C1	1914814193	NBDBCYDBWJIGHQ-AFPNSQJFSA-N	215.297	-0.278	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](F)(CO)C1	1917087175	MTTLBYPLLVDQRV-CBAPKCEASA-N	219.260	-0.839	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1917455271	BLTZPBLWXZGBPV-ABXGFROZSA-N	223.276	-0.615	50	10	BBGE	
NC(=O)CO[C@H]1CCN(C(=O)CCCl)C1	1928132505	IRLZORLFWAAZOW-ZETCQYMHSA-N	234.683	-0.282	50	10	BBGE	
OB(O)c1ccccc1CN1CCCO1	1928681921	KSUNKKIPYXKKPB-UHFFFAOYSA-N	207.038	-0.496	50	10	BBGE	
COC[C@H](CCl)NC(=O)Cn1cncn1	1928692363	NSCYEGJUNCEKPC-ZETCQYMHSA-N	232.671	-0.352	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CCNC2)CC1	1928977185	VEKFFCBILWNUBM-JTQLQIEISA-N	209.293	-0.054	50	10	BBGE	
CN(C)CCN(C)CC1(C(=O)NN)CC1	1931260939	ZBWPJMNDNMZHKE-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
C[C@@]1(CCl)CN([C@H]2CONC2=O)C1=O	1931729912	NNXSIQVLCVUYDR-YLWLKBPMSA-N	218.640	-0.496	50	10	BBGE	
CN(CC[C@H]1CCCO1)C(=O)C(=O)NN	1935343223	HYEMKWZKFRBIQW-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc(F)ccc1=O	1936092765	WPOIVFXZDMYJJZ-POYBYMJQSA-N	225.223	-0.387	50	10	BBGE	
CC[C@@H]1CC(=O)N(CCOCC(=O)NN)C1	1936532577	XFWNFNDKHMZBFH-MRVPVSSYSA-N	229.280	-0.749	50	10	BBGE	
CCN(Cc1cc(F)cc(B(O)O)c1)OC	1937137697	YVMDJFPUPBIRGB-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
CC(C)[C@]1(O)CCN([C@H](C)CC(=O)NN)C1	1937982734	YNECFBNKCZYIFY-KOLCDFICSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CCC(O)(C#N)CC1	1942101744	NCJKKSXWKXPVLC-SNVBAGLBSA-N	237.303	-0.042	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)[C@@]12COC[C@@H]1C2	1951321769	FZJKKMKDFJLJFK-XKSSXDPKSA-N	225.053	-0.902	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H](CO)[C@H](C)O	1953744959	HDXRQGSRLSWNDV-ZLUOBGJFSA-N	240.097	-0.372	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1955651510	CNYWQNFKJMIZGP-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
CC[C@@H]1CCN1c1nc(B(O)O)cs1	1956966708	ZGBKJWJJAMRYLO-ZCFIWIBFSA-N	212.083	-0.188	50	10	BBGE	
C[C@H](Cl)CC(=O)NC1CN(C(N)=O)C1	1957306050	HNSQDYSFLMKDBT-YFKPBYRVSA-N	219.672	-0.117	50	10	BBGE	
CN1CC[C@@H]2CCN(CC(=O)NN)C[C@@H]21	1958179084	VNTWVJVSQRDQSM-BDAKNGLRSA-N	212.297	-0.998	50	10	BBGE	
O=C1CN(CC=CCCl)CCN1CCO	1961457014	VHSUTZGKFVLLRO-UHFFFAOYSA-N	232.711	-0.082	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@H]2C[C@H]21	1961510015	XMQVHSPKRUNQAE-HLTSFMKQSA-N	213.281	-0.382	50	10	BBGE	
CO[C@@H](C(=O)N1CCC(B(O)O)CC1)C1CC1	1971372068	CFVFSNCXEQVZFR-SNVBAGLBSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSC2CNC2)O1	1975142598	JLNVVLPCMQBRSW-SVRRBLITSA-N	231.321	-0.771	50	10	BBGE	
CNC(=O)NCCCN=c1[nH]nc(CCl)o1	1976253989	SOTLEVMMHFFRAD-UHFFFAOYSA-N	247.686	-0.039	50	10	BBGE	
CCCC(=O)Nc1ncc(B(O)O)c(C)n1	1988512975	QGZUXNUAWCGNEO-UHFFFAOYSA-N	223.041	-0.797	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1990038881	IYKUKJWJJKCDSZ-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
CO[C@@H]1CN[C@@H](CNC(=O)C=CC(=O)Cl)C1	1991653018	UOSKJGIJMKBJBR-SFYZADRCSA-N	246.694	-0.199	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2Cl)C1	1991676803	DFJKORKBZBTCOZ-XSSZXYGBSA-N	246.694	-0.548	50	10	BBGE	
C[C@H]1[C@H](OCCC(=O)NN)C2CCN1CC2	1992113897	OQMIBTCQVMOAKW-KWQFWETISA-N	227.308	-0.134	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@@H]2CC[C@H]2C1	1992140812	MWBIHIDMLVQZLC-IUCAKERBSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@H](COC)[C@@H]2C1)B(O)O	1992167637	NUTDDKILLCUSNK-AXFHLTTASA-N	225.097	-0.231	50	10	BBGE	
CC[C@@H]1C[C@@H]1COc1ncncc1B(O)O	1993081566	SEQVDHQMLAISSR-HTQZYQBOSA-N	222.053	-0.419	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(CC(C)(C)C(=O)NN)C1	2000965959	ASTBWGGRMRQTJC-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
C#CCN1CCN(CC(C)(C)C(=O)NN)C1=O	2003935554	LQWIYOSTYCTJDT-UHFFFAOYSA-N	238.291	-0.627	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2CCCN2C1=O	2004268241	YZTJMZGACNHJHH-ZETCQYMHSA-N	240.263	-0.817	50	10	BBGE	
CC1(C#N)CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	2004461092	NFOYCWYNULYBBX-BDAKNGLRSA-N	238.291	-0.631	50	10	BBGE	
CCO[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2004912347	RSQVOSMGSFBGDD-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@@H]1F	2006795506	SCQOSSNBMZCUJS-DTWKUNHWSA-N	239.059	-0.517	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)C1)[C@H]1C[C@H](O)C1	2010832991	NMZVCDFGCHNXCB-GWOFURMSSA-N	241.335	-0.152	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1CC[C@H]1CF	2022196560	OFRHHBGCBNEREO-JTQLQIEISA-N	237.039	-0.450	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCCCO1	2022196993	WAHNXLHDHZVNQT-UHFFFAOYSA-N	235.048	-0.466	50	10	BBGE	
COCCOCOCc1ccccc1B(O)O	2022711493	GSNPLYBNKJQAEE-UHFFFAOYSA-N	240.064	-0.497	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@@H]4C[C@H]43)(C1)C2	2023853253	KNKIRLYMSMTAFV-WWAQEKKBSA-N	237.303	-0.380	50	10	BBGE	
CN(C)CCOC[C@]12C[C@](C(=O)NN)(CO1)C2	2023854591	UOBKDAQBPXEGFQ-XYPYZODXSA-N	243.307	-0.896	50	10	BBGE	
COCC12CC(CN(C)CC(=O)NN)(CO1)C2	2025538541	HMNCCDSOUDPRME-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3C[C@@H](N)C[C@H]32)CC1	2050075019	QFMZYJNFJYIMGA-BIBSGERRSA-N	249.314	-0.153	50	10	BBGE	
Cn1cc(C(=O)NN)c(Cn2ccccc2=O)n1	2050241037	FBCSMYVXFQCGGJ-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CN(CCN(C)C1CC1)c1ccc(B(O)O)cn1	2052470805	ITTMFQQJZPFQDZ-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
CCCc1cnn(-c2nc(C)ncc2B(O)O)c1	2052596753	DDCLHOAEQNLTQL-UHFFFAOYSA-N	246.079	-0.397	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)n1	2053734159	CXZWIWPWLZXAHM-QFOLPQNPSA-N	244.103	-0.086	50	10	BBGE	
O=Cc1cc(Cl)c(B(O)O)cc1[N+](=O)[O-]	2060133357	ZJCCLPOKUJCZRA-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2210699412	IOWWGWZWCHKHIL-DJLDLDEBSA-N	233.287	-0.594	50	10	BBGE	
OB(O)c1cnc(=NCCC2CCC2)[nH]c1	2212603526	PCYLVMVJHKYSKV-UHFFFAOYSA-N	221.069	-0.820	50	10	BBGE	
C/C=C/CCCN=c1cc(B(O)O)cc[nH]1	2212615884	WDYXSHFPGGZUMR-NSCUHMNNSA-N	220.081	-0.049	50	10	BBGE	
OB(O)c1ccc(Cn2cnc(C3CC3)n2)s1	2214512812	DGMUVKOBDRKVQY-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
CC[C@@H]1C[C@@H]1CCn1cc(B(O)O)ccc1=O	2215323481	DZROKUGGUSTWLG-ZJUUUORDSA-N	235.092	-0.036	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H](O)C(F)(F)C1	2215775810	JDBMCLXQUYHNJM-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H](O)[C@H]1CC2	2216253430	RTUOPBOOUODPPB-ILAIQSSSSA-N	239.319	-0.400	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@H]1CCC[C@H]1O	2216490393	DCPPICQVVDSEJA-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@](F)(CO)C2)CCC1	2216491319	SXNMQJZJIFFZEJ-NSHDSACASA-N	245.298	-0.447	50	10	BBGE	
C=C(CN1C[C@@H]2CCO[C@@]2(COC)C1)B(O)O	2217063800	ZQEMTUBLDUBCNZ-WDEREUQCSA-N	241.096	-0.708	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1c1cc(B(O)O)ccn1	2217172495	KKCTUFJHPBNIBP-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCO[C@H]32)cc1B(O)O	2217181800	VIXIOQVKDYGZJF-AVPPRXQKSA-N	234.064	-0.731	50	10	BBGE	
C#C[C@@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2217183466	LLWIGFMSQZFOOM-SNVBAGLBSA-N	230.076	-0.471	50	10	BBGE	
C[C@H](N)CC(C)(C)Oc1ncc(B(O)O)cn1	2217192059	MKDCXDXKMKIMDJ-ZETCQYMHSA-N	239.084	-0.949	50	10	BBGE	
C[C@H]1NCCC[C@@H]1Oc1cc(B(O)O)ccn1	2217195423	KAIDKFBTDGSRGJ-SCZZXKLOSA-N	236.080	-0.719	50	10	BBGE	
CC1(N)CCN(Cc2cccc(B(O)O)c2)CC1	2220074864	YDBFQEQZUCFCKP-UHFFFAOYSA-N	248.135	-0.320	50	10	BBGE	
NNC(=O)C1(CN2CC(n3cccn3)C2)CCC1	2222634479	NSUGCZUSZHRFBI-UHFFFAOYSA-N	249.318	-0.100	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)ccn2)nn1C	2223627052	LKZMBTQURRKRMM-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1Nc1cc(B(O)O)ccn1	2223637078	NWHBVTRLJMNEBG-GXSJLCMTSA-N	249.123	-0.487	50	10	BBGE	
OB(O)c1cnc(=NCC2CC3(CCC3)C2)[nH]c1	2223666097	HCXVOIVSEXUXAY-UHFFFAOYSA-N	247.107	-0.430	50	10	BBGE	
N[C@@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)CC1	2223675050	PDSAQIVUPJCDMD-GHMZBOCLSA-N	249.123	-0.167	50	10	BBGE	
C[C@H](SC[C@@H]1CCCN1)C(=O)NN	2241288393	MHBAPBLBEKCUBG-BQBZGAKWSA-N	203.311	-0.150	50	10	BBGE	
OB(O)c1ccc(N2O[C@H]3CC[C@H]2C3)nc1	2243005600	ZEPCEYRASZBHHE-IUCAKERBSA-N	220.037	-0.566	50	10	BBGE	
C[C@H](C[S@@](C)=O)NC(=O)C1(B(O)O)CCC1	2243347538	NHDSNGRCXVQZMS-VGDKGRGNSA-N	247.125	-0.733	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@@H]1CF	2243349849	RHZCULOFMKMBLO-RXMQYKEDSA-N	244.056	-0.993	50	10	BBGE	
Cc1scc(CNC(=O)C#CB(O)O)c1C	2243357308	USXAOAVMDJTEOK-UHFFFAOYSA-N	237.089	-0.003	50	10	BBGE	
O=C(NCc1cnccn1)C1(B(O)O)CC1	2243359105	OUIZOWVHZYANBY-UHFFFAOYSA-N	221.025	-0.900	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243363885	NWFWLTPCGUQSAE-HTQZYQBOSA-N	229.085	-0.077	50	10	BBGE	
O=C(NCCF)c1ccc(Cl)c(B(O)O)c1	2243366505	DDCNRGLBAOYLNU-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
O=C(c1csnc1B(O)O)N1CC[C@@H]2C[C@H]21	2243397811	JOHBQXRKRJBRQD-IYSWYEEDSA-N	238.077	-0.943	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2243398899	UXMQACCHZFJFNE-YUMQZZPRSA-N	227.069	-0.920	50	10	BBGE	
C[C@@H](CCCCCO)NC(=O)C#CB(O)O	2243400507	CENDGUXQUMXANP-VIFPVBQESA-N	227.069	-0.941	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243400637	FLYVELYMDQZWSG-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
CCN(C(=O)c1ncsc1B(O)O)C(C)C	2243407947	CUVQQPKRKLANHZ-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
CC1(CNC(=O)c2nscc2B(O)O)CC1	2243409371	GQMRFFIFGPRVDS-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1cscc1B(O)O	2243677821	AHSDINWCFNPIHK-SSDOTTSWSA-N	237.089	-0.372	50	10	BBGE	
COC[C@@]1(C)C[C@@H]1Cn1ccc(B(O)O)n1	2243826287	VHHKHTLJUXIIOF-PSASIEDQSA-N	224.069	-0.765	50	10	BBGE	
CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)OC	2247733102	MGSZXGPVMZVPIN-ZETCQYMHSA-N	243.068	-0.549	50	10	BBGE	
Cc1cccc(CCNC(=O)C#CB(O)O)c1	2247740153	GRNHDDIOGIXZLJ-UHFFFAOYSA-N	231.060	-0.331	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1N(C)C(=O)C#CB(O)O	2247741389	YXTDOIPMLUZQNX-ZJUUUORDSA-N	239.080	-0.725	50	10	BBGE	
C#CCN(CC#CC)C(=O)C1CC(B(O)O)C1	2247798324	SIIHFJCJSXSPTH-UHFFFAOYSA-N	233.076	-0.276	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247798422	TZGJDAFOFNSASW-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247798982	YVAOYAAOJVIBRT-IUCAKERBSA-N	231.020	-0.245	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H](C)N1	2247805638	KMPIJHRAMSXILA-CHIWXEEVSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@@H]1B(O)O	2247805718	KSUYDBZOVPICQJ-SEMOWUPXSA-N	238.096	-0.752	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247846223	CBCGHIRRJWSBGY-VIFPVBQESA-N	238.096	-0.141	50	10	BBGE	
O=C(C#CB(O)O)Nc1nc2c([nH]1)CCCC2	2247847564	YWYXMYIGPDJIMB-UHFFFAOYSA-N	233.036	-0.758	50	10	BBGE	
O=C(NCCCCF)c1cncc(B(O)O)c1	2247866349	KTXHTULIWSBKSH-UHFFFAOYSA-N	240.043	-0.759	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	2247888033	VEXMPOHZHJDEPO-HQDCCKFYSA-N	235.092	-0.038	50	10	BBGE	
CC[C@@H]1CNCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247893969	ATOQRKYBZFUIRK-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC(CO)CC1	2247899581	OKMFVFDKUZEZCX-MGCOHNPYSA-N	241.096	-0.530	50	10	BBGE	
O=C(O)C[C@H]1CCCN1C(=O)C1(B(O)O)CC1	2248585609	OLBGQUPKRIJAPT-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
O=C(NCC=C(F)F)c1cncc(B(O)O)c1	2248616331	KCRSKJLEFKJEAS-UHFFFAOYSA-N	241.990	-0.728	50	10	BBGE	
Cc1cnc(N(C)CC2COC2)cc1B(O)O	2249012001	QACDQEXKOAVHNU-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
CCC[C@@H](COC)C(=O)NCCC#CB(O)O	2250008726	PIISJFDFOLGSSP-JTQLQIEISA-N	241.096	-0.429	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1cccnn1	2254030025	RZMCRCBTTDHKKO-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ccncc1B(O)O	2255455826	GAMFQTCETHVLFE-PWSUYJOCSA-N	248.091	-0.320	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NCCCC#N	2255514499	JNSACPHLBGHVLP-UHFFFAOYSA-N	246.075	-0.292	50	10	BBGE	
C[C@H](Cc1ccncc1)N(C)C(=O)C#CB(O)O	2255672218	CNSWWTKTCPUUTM-SNVBAGLBSA-N	246.075	-0.514	50	10	BBGE	
CC(C)=CCNC(=O)c1nccc(C)c1B(O)O	2255688108	QQJQIMDUBYFFFG-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
C=C1CON(C(=O)Nc2ccc(B(O)O)cc2)C1	2255892114	YVJBSXWAIWHGFZ-UHFFFAOYSA-N	248.047	-0.298	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1[C@H](C)[C@H]1C	2257488099	UBSQCMHNUUXLAV-HTQZYQBOSA-N	248.091	-0.546	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2258151182	LMUMAKJTWUWRKH-AYMMMOKOSA-N	249.075	-0.170	50	10	BBGE	
CCc1cc(C(=O)NCCC#CB(O)O)n(C)n1	2258955900	BGVJLGAMDVVSHL-UHFFFAOYSA-N	249.079	-0.882	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368885	BBAJJYOCYYBAAL-KYXWUPHJSA-N	240.112	-0.694	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298376565	CPPTYDQNUXSJAU-YNFQOJQRSA-N	241.096	-0.125	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)CO2	2300493786	GPXLBEJCZOVWOS-DZEUPHNYSA-N	239.080	-0.467	50	10	BBGE	
N#CC12COC(CN3CC[C@H](B(O)O)C3)(C1)C2	2303101522	KPXYOUVNCBSUHP-WHXUTIOJSA-N	236.080	-0.392	50	10	BBGE	
OB(O)c1cc(N(CCF)CCF)ncc1F	2303835856	DAPIXTXWENWLTA-UHFFFAOYSA-N	248.013	-0.354	50	10	BBGE	
CNCC[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303847139	DLUAHRGOPNVIRM-SSDOTTSWSA-N	241.075	-0.690	50	10	BBGE	
CN(CCCCO)c1cc(B(O)O)c(F)cn1	2303848220	WDWFSGODKGRWNF-UHFFFAOYSA-N	242.059	-0.891	50	10	BBGE	
Cc1cc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1B(O)O	2309544237	VYKOQEYVIOBNCQ-XNDJQWLSSA-N	244.103	-0.086	50	10	BBGE	
C[C@H](O)C[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317162138	IGAORSMQKDSVCN-BDAKNGLRSA-N	248.091	-0.191	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cc2C#N)CCNC1	2317168567	WGDJVTWXPHTTIQ-GFCCVEGCSA-N	245.091	-0.598	50	10	BBGE	
C=C(CCN)CNc1ccc(C=O)c(B(O)O)c1	2317311010	JLQKGDZEWHYDEF-UHFFFAOYSA-N	248.091	-0.504	50	10	BBGE	
N#Cc1ncn2c(=O)n(CCCl)nnc12	27191275	WZSZWAREQTXPHZ-UHFFFAOYSA-N	224.611	-0.604	50	10	BBGE	
COCCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	82463218	XSJXRQKWCLYRCH-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N1CCNC(=O)[C@H]1C	82476169	FDFADVNCMYBZIK-NTSWFWBYSA-N	247.682	-0.330	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@H]1CC(=O)N(C)C1=O	84083780	ZBFPNXKDQGUZNC-UHNVWZDZSA-N	218.640	-0.513	50	10	BBGE	
CC[C@H](C)C(=O)NNC(=O)c1c[nH]nn1	104646529	WDQWMJWGZAOMQL-YFKPBYRVSA-N	211.225	-0.388	50	10	BBGE	
O=C1CN([C@@H]2CCN3CCC[C@@H]23)CC(=O)O1	111218162	AUJSBKCWZKGZME-DTWKUNHWSA-N	224.260	-0.392	50	10	BBGE	
NNC(=O)c1ccc(Cn2cnccc2=O)cc1	113520867	PSPPYXOBCRFHOY-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](NC(=O)OC)C1	127350225	PXVYJAULOVJRGV-YUMQZZPRSA-N	244.295	-0.815	50	10	BBGE	
O=[N+]([O-])c1cnc(CO)n1C[C@H](O)CCl	135872516	HQPDFZLULOWRMP-RXMQYKEDSA-N	235.627	-0.117	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NN)[C@H]1C	166791888	GDZSQUCNABTKIV-CSMHCCOUSA-N	213.281	-0.131	50	10	BBGE	
OB(O)c1cccc(Cn2cncn2)c1	203175708	UJCOYPAMPNCAQL-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
NNC(=O)CCOc1ccc(CCO)cc1	236235661	SKDGUNLAMIJBBG-UHFFFAOYSA-N	224.260	-0.020	50	10	BBGE	
CN1C(=O)NC[C@H](Br)[C@@H]1N	238330193	JASMPBIMWOUCCK-IUYQGCFVSA-N	208.059	-0.310	50	10	BBGE	
N#Cc1ncc(C(F)(F)F)cc1B(O)O	238616267	WXFXQGFUAVHMKG-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
O=NN1[C@@H](CCl)OCC1(CO)CO	238697318	HCBQGUSPBMDBQQ-RXMQYKEDSA-N	210.617	-0.712	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ncncc2F)CO1	294173575	WJGNGPOAAOTIES-YFKPBYRVSA-N	241.182	-0.833	50	10	BBGE	
CN(CCCO)Cc1ncccc1C(=O)NN	305997250	MYEITWKNEYQZAW-UHFFFAOYSA-N	238.291	-0.501	50	10	BBGE	
CN(C)NC(=O)c1c(Br)nnn1C	306396957	IIHRBYRMTLZGIM-UHFFFAOYSA-N	248.084	-0.216	50	10	BBGE	
C[C@@H](O)[C@H](N)C(=O)NCCBr	307558899	IBNDNMJIRKZHPI-UHNVWZDZSA-N	225.086	-0.794	50	10	BBGE	
Cn1cc([C@](O)(CCl)C(N)=O)cn1	307588464	XECQFLCINQAHQY-SSDOTTSWSA-N	203.629	-0.668	50	10	BBGE	
O=S(=O)(NCCCl)c1ncc[nH]1	307962726	NMKBVPRCGJFZRS-UHFFFAOYSA-N	209.658	-0.073	50	10	BBGE	
NNC(=O)C1(OCC2CC2)CCOCC1	308996490	XQKHVJAWVABILE-UHFFFAOYSA-N	214.265	-0.048	50	10	BBGE	
C=CC(=O)NCc1ccc(F)cc1B(O)O	309186066	JKXJRYVOSXXZCK-UHFFFAOYSA-N	223.012	-0.692	50	10	BBGE	
C[C@@H](CC(=O)N(C)C)NC(=O)NC(=O)CCl	309457265	RBQLKRWXAZKBOK-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
C[C@@H](CN1CC[C@@](C)(CO)C1)C(=O)NN	381337171	DFNOJLUZQMYOBZ-WCBMZHEXSA-N	215.297	-0.683	50	10	BBGE	
CC(=NNC(N)=O)c1ccn(C)c(=O)c1	383967221	LVDQWPWKNXXEKR-UHFFFAOYSA-N	208.221	-0.222	50	10	BBGE	
N#Cc1ccc(CCC=O)c(B(O)O)c1	396093311	ILAAGNGZTMMSCO-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
O=C(N[C@@H]1CCCOC1)c1cccc(B(O)O)c1	584980839	MKMSGYAYAFYZOD-LLVKDONJSA-N	249.075	-0.725	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(=O)N(C)CC1	688935194	WHEGRAPPLIENCE-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](CC(N)=O)C1	690736669	JXCKNQVWIFMWLV-DJLDLDEBSA-N	242.323	-0.802	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)C(C)(C)CO	690905429	YWEHWAGUWSSVET-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
NC(=O)NNC(=O)C1C[C@H]2[C@H](C1)C2(F)F	693308181	WFPYRGJNEDDSID-WHFBIAKZSA-N	219.191	-0.023	50	10	BBGE	
Cc1ccccc1Cn1cc(B(O)O)cn1	694485566	COQFBYDADZIZLB-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
N#Cc1ccc(Cn2cc(B(O)O)cn2)cc1	694487881	OBCRSBJCZFBXQK-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@@H]1CCO	694926752	YGUFSFYCKQZGJF-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@@](C)(CO)C1)C(=O)NN	703786805	VFMARSXNCJAMSM-WCABBAIRSA-N	229.324	-0.437	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@H]1[C@H](C)O	708480643	BAAGRJVJVNKMAZ-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](CN(C)C)Oc1ccc(F)cc1B(O)O	713941281	MVLYUKPMAFQGNB-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
CC1(C)CC[C@@H](Cn2ccc(B(O)O)n2)OC1	714115391	JMHJFXQLYALOTQ-VIFPVBQESA-N	238.096	-0.232	50	10	BBGE	
O=S(=O)(CCCl)NC12CCN(CC1)C2	715768974	ARIYKKWIWVPQBU-UHFFFAOYSA-N	238.740	-0.007	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718151050	IKHQQBTYNCJQMP-KXUCPTDWSA-N	241.335	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCS[C@H](CO)C1	720069064	MDTZBVGTGOYRFB-JGVFFNPUSA-N	233.337	-0.835	50	10	BBGE	
COCC(=O)NNC(=O)Nc1c(C)cnn1C	824399529	VVEIQWSXVVZCQG-UHFFFAOYSA-N	241.251	-0.472	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC1(N)CC1	852883896	AIDIULYFNOFRKG-UHFFFAOYSA-N	214.269	-0.440	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@H](O)C1CCOCC1	910161916	AHBMSDXEXQTWKF-WCBMZHEXSA-N	246.307	-0.882	50	10	BBGE	
COC(=O)N(C)NC(=O)CCCCC(N)=O	1322018228	IEBTYDCBWPXHFE-UHFFFAOYSA-N	231.252	-0.239	50	10	BBGE	
CC(=O)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12	1530508668	PGHHRSUGQVYXDF-FBSDJGSXSA-N	237.211	-0.854	50	10	BBGE	
Cn1cc(/C=C(/C#N)C(=O)NCCC(N)=O)cn1	1565834412	SGKQKFQRKRKDLG-WTKPLQERSA-N	247.258	-0.681	50	10	BBGE	
C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cccnn1	1597260524	OTZYXYLDYCXYDP-IYSWYEEDSA-N	237.219	-0.583	50	10	BBGE	
Cn1ncc(C(=O)NOCCCl)n1	1883010550	PYDVEEONEOYCMW-UHFFFAOYSA-N	204.617	-0.285	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1CNCCO1	1884412275	NYQCYGGHBJWBLN-RRQHEKLDSA-N	218.684	-0.139	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cnc[nH]1	1884831611	RTBDOYAVOCQDLU-ZCFIWIBFSA-N	233.680	-0.071	50	10	BBGE	
C[C@H](F)[C@H]1CCCN1C(=O)C(=O)NN	1885618293	GXVTUGSEEVHGIC-NTSWFWBYSA-N	203.217	-0.675	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@H](O)C[C@H]1CO	1886211692	NEUHYTSVKJVIGR-LXGUWJNJSA-N	219.668	-0.432	50	10	BBGE	
CS[C@H]1C[C@@H](C(=O)NNC(N)=O)C1	1886761654	NBLHZPNDDWREKA-SYDPRGILSA-N	203.267	-0.173	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2	1888621434	HYPNAAOATVTKLY-CXJSFISGSA-N	211.290	-0.247	50	10	BBGE	
O=C1CN(C[C@H]2C[C@H]2CF)CC(=O)O1	1888743132	FFJGQQWTYIBXPX-NKWVEPMBSA-N	201.197	-0.023	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSC1	1892019463	FVBDEQBZPZTUHS-UHFFFAOYSA-N	203.267	-0.840	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@H]2Cl)C(=O)C1=O	1893097187	AJNHNRAOVZZVSV-NKWVEPMBSA-N	216.668	-0.086	50	10	BBGE	
NNC(=O)CO[C@H]1COC2(CCC2)C1	1893793708	NXFRSNQOVUNARA-SSDOTTSWSA-N	200.238	-0.296	50	10	BBGE	
CN(CC(=O)NN)C[C@]12COC[C@H]1C2(F)F	1894482167	RJUNMLYHGCNELI-SVRRBLITSA-N	235.234	-0.810	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1ccccc1B(O)O	1897402376	MMXXJOGXTDKHRX-GMSGAONNSA-N	219.049	-0.495	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cnsc1B(O)O	1900442492	LUZHKQHLVQQUNT-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
CC1(C)COC[C@@H]1Cn1cc(B(O)O)cn1	1901108811	WGROQIXWGJRJCD-QMMMGPOBSA-N	224.069	-0.765	50	10	BBGE	
C[C@H](CO[C@H]1CN2CCC1CC2)C(=O)NN	1901435832	KOWIMPWYRWLRRH-SCZZXKLOSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C[C@H]1C[C@H]1C(=O)NN	1907736836	KAANINLJFWHCEY-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
CN(CCC(=O)N(C)C)C[C@@H]1C[C@H]1C(=O)NN	1909020238	JLSPQENOPBEGEM-DTWKUNHWSA-N	242.323	-0.978	50	10	BBGE	
C=CC[C@@H](C)OCCOCC(=O)NN	1913343483	PBLRHCAYEVKWDG-MRVPVSSYSA-N	202.254	-0.026	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C(C)(C)C(N)=O	1915525598	YQRCVAQZDZQCRE-RQJHMYQMSA-N	230.312	-0.803	50	10	BBGE	
COCC[S@@](C)(=O)=N[C@@H](C)CC(=O)NN	1918071336	DNMOBNQJVXCNLB-NZFNHWASSA-N	237.325	-0.501	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ccc[n+]([O-])c1	1923789117	MHRYCOXQWKRSLL-UHFFFAOYSA-N	249.148	-0.357	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NNCCO	1929834167	WZIHNBYNQGRRBJ-GJMOJQLCSA-N	202.254	-0.587	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)CCO1	1936536853	RMSGSBWKEIICNO-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC(O)C2)C1	1937042390	PHVLQNMPGITEKZ-JGVFFNPUSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CC(O)C2)C1	1937043560	UCIJKZHXTSNVEX-CBAPKCEASA-N	225.292	-0.931	50	10	BBGE	
CN1C[C@H](NC(=O)Cn2ccnn2)[C@H](Cl)C1	1937194326	QBPBBGQJMSVLKS-SFYZADRCSA-N	243.698	-0.684	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)[C@@H](F)C2)CC1	1938231933	GCCXFZJBHIQURL-JGVFFNPUSA-N	231.271	-0.839	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H]1CC1CC1	1939136290	LHPHJQHLTKBZRX-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H](O)[C@H](C2CC2)C1	1943083702	PDLZQQOKYPSOAD-ZNSHCXBVSA-N	239.319	-0.685	50	10	BBGE	
COCC1(Cn2cc(B(O)O)cn2)CCCC1	1945426196	ZIQSTTDVCCYXCN-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H](O)CCC[C@H]2C1	1945659830	XBUWBWYHOACRMK-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCCC[C@H]1C2	1948622792	ZTQMNAWUTXKRLE-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2C[C@H](CO)CO2)CC1	1949816690	GYGYRWBKSZAAIW-MNOVXSKESA-N	240.303	-0.266	50	10	BBGE	
O=C(c1cnccn1)N1CC[C@@H](B(O)O)C1	1951320018	CTQKSKIUNPNUGS-SSDOTTSWSA-N	221.025	-0.835	50	10	BBGE	
CC(C)CNC(=O)N1CC[C@@H](B(O)O)C1	1951320325	GQHLRTFZWXGMDG-MRVPVSSYSA-N	214.074	-0.099	50	10	BBGE	
COc1cc([C@H](N)[C@H](O)C#N)cc(O)c1O	1952937550	XWQHDYPBCDFLOX-APPZFPTMSA-N	224.216	-0.009	50	10	BBGE	
CC(C)N(CC(N)=O)C[C@@H](O)CCl	1954821033	QLOCODZQLHFTSG-ZETCQYMHSA-N	208.689	-0.218	50	10	BBGE	
C[C@H]1C[C@H](CN(C)CC(=O)NN)CO1	1955204795	RUAVOGDULLHNQV-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CN(C)NC(=O)NCC[C@H](F)C(=O)O	1955251737	MJOQZQPDTASRKA-YFKPBYRVSA-N	207.205	-0.425	50	10	BBGE	
C[C@@]1(CO)COCCN1S(=O)(=O)CCl	1956687798	CSLDJOQIOCVSGO-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
Cn1cc(S(=O)(=O)N2CC(Cl)C2)nn1	1956895998	HXPQGJIYESUKMI-UHFFFAOYSA-N	236.684	-0.573	50	10	BBGE	
COC1(Cn2ccc(B(O)O)n2)CCC1	1960728597	VMSAZZIKQBVNBX-UHFFFAOYSA-N	210.042	-0.868	50	10	BBGE	
NNC(=O)CCN1CCn2cccc2C1	1961381323	AXMHISJRHPGFLP-UHFFFAOYSA-N	208.265	-0.316	50	10	BBGE	
NNC(=O)CCCCN1CC2(CCO2)C1	1961520670	QGXPVSWOQYXURY-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
Cc1ncnc(OC2CCC2)c1B(O)O	1961694975	WYSQEPAGDWWYTL-UHFFFAOYSA-N	208.026	-0.604	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1nc(B(O)O)cs1	1961718340	NDASHTJFGFNCQP-RNFRBKRXSA-N	226.110	-0.085	50	10	BBGE	
C#CCCN(C)C(=O)c1cccc(B(O)O)c1	1963769115	DRFDRXFOIGEBFR-UHFFFAOYSA-N	231.060	-0.538	50	10	BBGE	
O=C1C[C@@H](CNC(=O)NC(=O)CCl)CCN1	1977238953	AJXPVYWXUJUBBU-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
C=CCCOc1ncc(B(O)O)c(OC)n1	1981424481	UHLMIELILIKZOA-UHFFFAOYSA-N	224.025	-0.880	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@H]3C2)c(F)c1	1981470390	AYMXNFOOLBFJIP-BQBZGAKWSA-N	222.028	-0.643	50	10	BBGE	
Cc1ccc([C@@H](C)NC(=O)C(=O)NN)cn1	1982105080	YIZBUFNBXBOVQJ-SSDOTTSWSA-N	222.248	-0.443	50	10	BBGE	
COC12CC(C1)N(c1nc(B(O)O)cs1)C2	1986825116	AFPBXQZYNWALKT-UHFFFAOYSA-N	240.093	-0.810	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2COC[C@H]21	1987062401	SJEZQYQDKDKVJL-RNFRBKRXSA-N	235.234	-0.668	50	10	BBGE	
CO[C@H]1C[C@@H]1N=c1[nH]c(CCCl)nc(=N)[nH]1	1987759637	GRPIDFBUNYYHNW-WDSKDSINSA-N	243.698	-0.313	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC12CC(F)(F)C2	1988333811	WRXJZEKXPKVCOL-YFKPBYRVSA-N	233.218	-0.472	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)NCC=CB(O)O	1991337145	LYMLVAVOJMGHHX-JTQLQIEISA-N	226.085	-0.845	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CC[C@@H]1CO	1991709307	HUVHSEGVHJZHLL-XLNBVVSQSA-N	246.694	-0.524	50	10	BBGE	
N=c1nc(CCl)nc(N2CCOCCO2)[nH]1	1992359934	ZTLQGYPHFZNLPL-UHFFFAOYSA-N	245.670	-0.209	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](CO)OCC1(C)C	2002291747	XLLBLWRXXYOUCV-RKDXNWHRSA-N	245.323	-0.773	50	10	BBGE	
CC12CC(CN1c1ncc(B(O)O)cc1F)C2	2005013793	ARKMIHPOMKNWKE-UHFFFAOYSA-N	236.055	-0.111	50	10	BBGE	
C[C@H](COCc1ccc(B(O)O)cc1)N(C)C	2006994287	LQLGFOMEZPPILQ-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
CC(F)(F)Cn1cnc2c(B(O)O)ncnc21	2007066609	KWWAZFVUDKOSSI-UHFFFAOYSA-N	241.994	-0.839	50	10	BBGE	
CC1(C)CC(Cn2cc(B(O)O)ccc2=O)C1	2008840089	HDSLRDOODWPOAW-UHFFFAOYSA-N	235.092	-0.036	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)cn1	2011371850	FENHDKQISPIIDD-OIBJUYFYSA-N	236.275	-0.750	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)C1(CO)CC1	2012612529	AZQRGXBDJNRYQB-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
COCCN(CCC#N)CC(=O)NNC(C)=O	2019209745	KMHQVGODWZPVBP-UHFFFAOYSA-N	242.279	-0.984	50	10	BBGE	
CCC[C@H]1COCCN1CC(=O)NNC(C)=O	2019213561	WMMCIGGYCNZSOS-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCc2nnc(O)cc21	2025568246	OANNTSGUBZRWSK-ZCFIWIBFSA-N	237.263	-0.687	50	10	BBGE	
NNC(=O)c1ccc(Cn2cccnc2=O)cn1	2056636183	JHFUKBLPYKMKOO-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
Cc1cc(B(O)O)c(C#N)c([N+](=O)[O-])c1	2060306494	JKQXSFYIGNNAPK-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
O=C1CN(C[C@H]2COC3CC2C3)CC(=O)O1	2210727998	YQIRZVXEWYNOAY-MGURRDGZSA-N	225.244	-0.203	50	10	BBGE	
CCN(CCO)CC1(C(=O)NN)CCCC1	2212444394	IQXWJICRSIMPEK-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC[C@@H](CNC)Oc1ncccc1B(O)O	2212598890	BTNVXOAMSOMWQG-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
C#CCCCCN=c1cc(B(O)O)cc[nH]1	2212610574	LCCBIUWHXRTOKY-UHFFFAOYSA-N	218.065	-0.601	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]2C2CC2)nc1	2212610933	RLHRBHXOEZYELY-RKDXNWHRSA-N	219.053	-0.633	50	10	BBGE	
C#CCCCN(C)c1cc(B(O)O)ccn1	2212614640	FWUMGRSIJFIOAK-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
CC(C)=CCC(=O)Nc1ncc(B(O)O)cn1	2214654733	WEKPHXVITSKISE-UHFFFAOYSA-N	235.052	-0.549	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCC[C@@H]1O	2217172719	LYCREZBRRQOUNX-UWVGGRQHSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3C[C@@H]3C2)nc1	2217178144	RZDSCGVENGSKLV-QXFUBDJGSA-N	233.080	-0.243	50	10	BBGE	
CC[C@@H](C)[C@H](CO)Nc1ccc(B(O)O)cn1	2217179242	IILYANWQQLFMLF-SCZZXKLOSA-N	238.096	-0.420	50	10	BBGE	
COCC1(Nc2nccc(B(O)O)c2F)CC1	2217181014	NANLIQGWIXBGPM-UHFFFAOYSA-N	240.043	-0.509	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Oc1cc(B(O)O)ccn1	2217190122	LNUNELUFVLOCMO-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
CC(C)[C@@H](O)[C@H](C)Nc1ncccc1B(O)O	2217195603	LSQNGTGVPIUHDI-WCBMZHEXSA-N	238.096	-0.421	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2217200026	QINRYSQEIJYXSV-UWVGGRQHSA-N	235.096	-0.734	50	10	BBGE	
C[C@H]1OCC[C@]1(C)Nc1cc(B(O)O)ccn1	2217205300	WZLKZAXMTWHMEW-KCJUWKMLSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)C[C@H]2CCCC[C@H]21	2217336197	CDWGTWRCHKTLSX-CHWFTXMASA-N	241.335	-0.010	50	10	BBGE	
CC1(C)OC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	2217467832	ABPYPOBCJMMIGP-NTSWFWBYSA-N	241.247	-0.630	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CC[C@H]2CNC[C@@H]21	2223624424	FABSSJMVKIDDFE-ATZCPNFKSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(OC2CC3(COC3)C2)cc1B(O)O	2223639700	GLKNLGCGPXWKRH-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@H]2Nc1ccc(B(O)O)cn1	2223651236	VZICEPNSGRTRCX-MKPLZMMCSA-N	248.091	-0.666	50	10	BBGE	
C[C@H]1CCCN(c2ncccc2B(O)O)[C@H]1CN	2223665982	JLKZFLIQBOBBIX-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
CC1(C#N)CCN(c2cc(B(O)O)ccn2)CC1	2223677090	JWUHVFHAZWBWBC-UHFFFAOYSA-N	245.091	-0.109	50	10	BBGE	
COC1CCN(C(=O)C2(B(O)O)CC2)CC1	2243363035	AFZOTTUYGLAQRB-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)sn2)CCC1	2243377601	CSAYXUOYTJLBBN-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
C[C@H]1CC[C@@H](CCNC(=O)C#CB(O)O)O1	2243400039	UWBHRJSMJCRGFT-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
C=C(CS(=O)(=O)NC1C[C@H]2C[C@@H]2C1)B(O)O	2243419897	IRMPGWUBXJMUMZ-HTQZYQBOSA-N	245.109	-0.728	50	10	BBGE	
C=CCN(OC)c1cc(C)c(B(O)O)cn1	2244267271	PUBLFPYGSMLIGS-UHFFFAOYSA-N	222.053	-0.376	50	10	BBGE	
CC(C)(CO)CCNC(=O)C1(B(O)O)CCC1	2247733745	PMPWHGMTEBWCQR-UHFFFAOYSA-N	243.112	-0.092	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1ccc(B(O)O)o1	2247744570	VADQUSXOUANOEW-YFKPBYRVSA-N	244.990	-0.656	50	10	BBGE	
C#CCN(CC#C)C(=O)c1csc(B(O)O)c1	2247747952	VMFLQUTVMRPKPV-UHFFFAOYSA-N	247.084	-0.864	50	10	BBGE	
C/C=C/CNC(=O)c1cccc(B(O)O)c1C	2247751796	CFAXNFCGADCBSC-ONEGZZNKSA-N	233.076	-0.019	50	10	BBGE	
C[C@@H]1CCO[C@H]1CNC(=O)C1(B(O)O)CCC1	2247757968	YVWOLFQUTGXYDL-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C(C)(C)C	2247769036	CNSYYQRRWYIIPS-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
C#CCN(C(=O)c1sccc1B(O)O)C1CC1	2247770721	QQIRBXIYEMWOJQ-UHFFFAOYSA-N	249.100	-0.334	50	10	BBGE	
CC[C@H](C)N(CC)C(=O)c1n[nH]cc1B(O)O	2247783514	GNMOSISMKVFPBG-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
NCc1cccnc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247804056	DYHRSRGSJBHTJG-SFYZADRCSA-N	235.052	-0.658	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247804588	HRZCRULUSFDFLF-RGOKHQFPSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1Cc2cncnc2C1	2247808953	NJOGZKDUIHXPLC-JGVFFNPUSA-N	233.036	-0.818	50	10	BBGE	
CC1(C)C=CCN1C(=O)c1ccc(B(O)O)o1	2247850108	JWOCAPCEVMEVSE-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2C(=O)[C@H]1C[C@H]1B(O)O	2247854960	LHRHTOXNNWWPFB-RFOGZPIASA-N	237.064	-0.223	50	10	BBGE	
CN(CC(F)F)C(=O)c1cc(B(O)O)cn1C	2247866951	VQYLQBOZXUXWRT-UHFFFAOYSA-N	246.022	-0.958	50	10	BBGE	
CCCCCNC(=O)c1ccncc1B(O)O	2247871600	DXQVAKPFPCUYLN-UHFFFAOYSA-N	236.080	-0.319	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247894423	GSMBHLSDNLNARJ-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N[C@H]1C[C@H]1F	2247972609	RCVTUQNJAKQADW-APPZFPTMSA-N	238.027	-0.402	50	10	BBGE	
CC#CCC(=O)Nc1ncc(B(O)O)cc1F	2248474528	OJIUKMNIIBXCFF-UHFFFAOYSA-N	236.011	-0.748	50	10	BBGE	
C[C@H]1C[C@]1(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248576083	DESUZQIMLMPBIC-GCCGMCBXSA-N	241.052	-0.781	50	10	BBGE	
C[C@@]1(C(=O)O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248589045	LIRGAFNGNFHPLU-PJKMHFRUSA-N	241.052	-0.685	50	10	BBGE	
CN(CC[C@H]1CCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2253139336	UKLMQUOFHJIKDW-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C=C=CCCNC(=O)c1cc(F)ccc1B(O)O	2255501576	CHBHZDUJSCOSAX-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1cncc(B(O)O)c1	2255522616	MGICQBWMPIBBEM-UHFFFAOYSA-N	247.063	-0.959	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255528388	AWNMQMHLDNXLEL-JQWIXIFHSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1c[nH]nc1B(O)O	2255550463	MOGVXRZITQELGP-SRSLHRDFSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@@H]1CC12CCCC2)c1cc(B(O)O)n[nH]1	2255551304	VYXMSDIXDWMOAZ-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
CCc1ncncc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2255563942	LFUGWDLOHSAPMC-IUCAKERBSA-N	249.079	-0.482	50	10	BBGE	
C=C1CN(C(=O)c2cc(C)c(B(O)O)c(C)c2)C1	2255685110	VMHMCZHABPGCRX-UHFFFAOYSA-N	245.087	-0.005	50	10	BBGE	
C=C[C@@H](C1CC1)N(C)C(=O)c1n[nH]cc1B(O)O	2255761054	AAFXHCZIYADLNI-VIFPVBQESA-N	249.079	-0.874	50	10	BBGE	
Cc1cnc(C(=O)N(C)CCC#N)c(B(O)O)c1	2255789518	IIDGOTLLJRJEGT-UHFFFAOYSA-N	247.063	-0.945	50	10	BBGE	
CC1CC(N(C)C(=O)c2nccnc2B(O)O)C1	2256057455	BYGNCSIZGFCGPL-UHFFFAOYSA-N	249.079	-0.973	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1cocc1B(O)O	2258122758	GXNMXXSCVORYIV-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]1C1CC1	2258150669	DVKBHDUGLJHJSN-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cn2)[C@H]2CNC[C@H]1C2	2258379081	LLAXQVFFSRBSTQ-RKDXNWHRSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H]2CCCN2)cc1B(O)O	2258798014	WHAIHISKBHDEOF-KOLCDFICSA-N	249.123	-0.378	50	10	BBGE	
C#CC1(NC(=O)c2ccc(B(O)O)c(C)c2)CC1	2258949579	MYYCPSVOVWSHIO-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
NC[C@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298369055	HQEYYCLZZLBRHC-DKIAZLNASA-N	238.096	-0.953	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369730	CMQIJUFJBSLJHM-SGIHWFKDSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1CNCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371285	GIKWPXIWEUMOCR-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)COC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2299582721	GKSNYCSKPVSWKV-YIZRAAEISA-N	241.096	-0.362	50	10	BBGE	
CC[C@H](O)C(=O)Nc1ccc(B(O)O)c(F)c1	2301605793	PYQNCIKFOJGDCL-VIFPVBQESA-N	241.027	-0.785	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	2302211357	MYEUVHQCDVCIDS-AJBSGBCOSA-N	239.319	-0.278	50	10	BBGE	
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303107387	YEUSJJMWXQHOEY-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	2303848353	YCBIWXZPNUBPNP-MUWHJKNJSA-N	242.059	-0.528	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)C1CNC1	2317160400	CYBZWMUMRROHKC-QMMMGPOBSA-N	245.091	-0.742	50	10	BBGE	
COCCNC(=O)C(C#N)=CNCCCl	2324623599	HBAXCTXLUXJEBQ-UHFFFAOYSA-N	231.683	-0.015	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1O[C@H]2CC[C@H]1C2	2327591027	DUPMQJBBCYJAOE-ATZCPNFKSA-N	248.091	-0.259	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCc2ccccc2C1	51633834	WPELDFIIHZWFRA-SNVBAGLBSA-N	233.271	-0.350	50	10	BBGE	
C/C(=N/NC(=O)C(N)=O)c1ccc(O)cc1	57410795	UYWHDDOCMWSKLP-SDQBBNPISA-N	221.216	-0.282	50	10	BBGE	
N#CCN(CC#N)C(=O)CCCC(=O)NN	58838079	WHEFKAUKXWZDIA-UHFFFAOYSA-N	223.236	-0.978	50	10	BBGE	
NNC(=O)CCCCN1CCC(CO)CC1	82465791	VSLSQYRHXPXUBT-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
CC[C@@H](Sc1nnnn1C)C(=O)NN	82471822	YULHFVNSKKNYSR-SCSAIBSYSA-N	216.270	-0.929	50	10	BBGE	
CN(C)CCc1nc(C(=O)NN)cs1	82688210	ARMARNSCBIJEHW-UHFFFAOYSA-N	214.294	-0.149	50	10	BBGE	
C[C@H](CCC(=O)NN)N(CC#N)CC#N	84689272	JQSIJCYCYYBHDY-MRVPVSSYSA-N	209.253	-0.506	50	10	BBGE	
N#C[C@@H]1CN(CCCCC(=O)NN)CCO1	86656753	RRCIKRMFVMZSOK-SECBINFHSA-N	226.280	-0.629	50	10	BBGE	
CC(CO)(CO)NS(=O)(=O)CCCCl	129361652	YZWISPHFTQBFGQ-UHFFFAOYSA-N	245.728	-0.722	50	10	BBGE	
CC1C[C@@H]2C(=O)N(CC(=O)NN)C(=O)[C@H]2C1	164681863	ADGUIHZHDKVZNC-BQBZGAKWSA-N	225.248	-0.993	50	10	BBGE	
O=C(NCCCl)N1CCOC[C@@H]1CO	170284632	YVFJXLXAQOAZRL-ZETCQYMHSA-N	222.672	-0.372	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247787	AHWWMSUJZHXVTA-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](NC(C)=O)C1	229803702	SRKQPROTECBWIF-NXEZZACHSA-N	242.323	-0.645	50	10	BBGE	
COC[C@H](OCC(F)(F)C(F)F)C(=O)NN	232417939	JPKXIVFMZQSAIT-BYPYZUCNSA-N	248.176	-0.092	50	10	BBGE	
COC[C@H](Oc1cnn(C(C)C)c1)C(=O)NN	232418725	MFWDOHWDMIRCBM-VIFPVBQESA-N	242.279	-0.152	50	10	BBGE	
COC[C@@H](Sc1nnc(C)[nH]1)C(=O)NN	232421571	UGOSAKWKHGPASD-RXMQYKEDSA-N	231.281	-0.790	50	10	BBGE	
CC[C@@H](OCCCOCCOC)C(=O)NN	233903779	UQIKVJGQMYQSPM-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
C[C@@H](NNC(=O)c1ccncc1)C(=O)O	238409050	QIXGUCWVXKEQTA-ZCFIWIBFSA-N	209.205	-0.211	50	10	BBGE	
Cc1[nH]c(=O)n(CC(=O)Cl)c(=O)c1C	238486074	FFMOSOFICWOFRG-UHFFFAOYSA-N	216.624	-0.081	50	10	BBGE	
OB(O)c1ccc(-n2cccn2)cc1F	238647112	WZTBQDUEXQDMPG-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
CC(/C=C/C=NNC(N)=O)=NNC(N)=O	256072374	IIVSTKIIWBJSLD-BIWSVATMSA-N	212.213	-0.759	50	10	BBGE	
CNC(=O)CSC[C@H]1CC[C@H](C(=O)NN)O1	300775920	DUTBLHYLMALWEK-RNFRBKRXSA-N	247.320	-0.997	50	10	BBGE	
CC(C)[C@H](SCC(=O)N(C)C)C(=O)NN	300824591	JISXLKJVEKUMDK-QMMMGPOBSA-N	233.337	-0.178	50	10	BBGE	
N[C@@](CCCCB(O)O)(C(=O)O)[C@H]1C[C@@H](N)C1	383747901	JJWPNUYEQUHMCS-KHQFGBGNSA-N	244.100	-0.851	50	10	BBGE	
C[C@@H]1CN(Cc2cc(C(=O)NN)no2)C[C@H]1O	388881434	QWZGZGNRDFLMPD-HZGVNTEJSA-N	240.263	-0.909	50	10	BBGE	
CCO[C@H]1C[C@@H](C(=O)NN)N(C(C)=O)C1	399767482	XLVSKWOBRPDHAE-YUMQZZPRSA-N	215.253	-0.998	50	10	BBGE	
C[C@H]1C[C@H](C(=O)Nc2ccc(B(O)O)cc2)CO1	405025497	KITSZVQYNJISTM-IUCAKERBSA-N	249.075	-0.270	50	10	BBGE	
O=C1NCNN2CC[C@H](Br)[C@H]12	575627319	YPZPEPBPWQLZLW-CRCLSJGQSA-N	220.070	-0.584	50	10	BBGE	
CN1CCC[C@H]1CNCc1ccccc1B(O)O	585019355	KRPAGMBHKTTYIQ-LBPRGKRZSA-N	248.135	-0.450	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCC[C@@H]2O)CC1	692085310	LIGKHIFDCNGTID-MNOVXSKESA-N	240.303	-0.266	50	10	BBGE	
CN(C)C(=O)CN1CCC(O)(C#N)CC1	692122133	PLYSVSSIEBMTLF-UHFFFAOYSA-N	211.265	-0.575	50	10	BBGE	
COCC1(Cn2ccc(B(O)O)n2)CCC1	694309240	PMGQKHMGJROTDR-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
CC(=O)NCCCCCC(=O)NNC(N)=O	700890404	RVSAMMSSKYWAGY-UHFFFAOYSA-N	230.268	-0.618	50	10	BBGE	
O=C(NCCc1nc(=O)o[nH]1)OCCl	703178913	XDXLLBBLMQBMKG-UHFFFAOYSA-N	221.600	-0.172	50	10	BBGE	
Cc1nn(CCOC2CCC2)c(C)c1B(O)O	703788638	ZAGFRDOAUOGYST-UHFFFAOYSA-N	238.096	-0.251	50	10	BBGE	
CNNC(=O)C1CCN(C(=O)N(C)C)CC1	704676295	NMPOIIAVKGYNFD-UHFFFAOYSA-N	228.296	-0.369	50	10	BBGE	
CO[C@@H](C)C(=O)N1CCc2c(B(O)O)cccc21	712229209	UZSBYCVOLWBTBF-QMMMGPOBSA-N	249.075	-0.710	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721714945	IECMXQMHMALXAG-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
CN(C)S(=O)(=O)NNC(=O)c1ccoc1	742028351	HJNOUBJYOJXNCD-UHFFFAOYSA-N	233.249	-0.680	50	10	BBGE	
CCC/C=C/C(=O)NNC(=O)c1cn(C)nn1	855185654	WAFSMMFZRRTDMQ-AATRIKPKSA-N	237.263	-0.068	50	10	BBGE	
O=S(=O)(CBr)NCC1COC1	859372377	NLKDGIZGBJEZIJ-UHFFFAOYSA-N	244.110	-0.095	50	10	BBGE	
C#CC[C@H](COC)NCc1ccc(B(O)O)cc1	863891755	BSZXKMFEEAHWSK-CYBMUJFWSA-N	247.103	-0.506	50	10	BBGE	
COCC#CC(=O)NNc1ccn(C)n1	1161285932	XIFURCCYEIAMPL-UHFFFAOYSA-N	208.221	-0.487	50	10	BBGE	
Cc1cccc(NNC(=O)Cn2ncnn2)n1	1301229817	FHDLDBBZMAZERT-UHFFFAOYSA-N	233.235	-0.480	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ccc(F)cn2)CO1	1303320261	SSNXMLSNTHMJDP-LURJTMIESA-N	240.194	-0.228	50	10	BBGE	
C=CCNC(=S)NNC(=O)c1nc[nH]n1	1321624154	FPDXSYQUAPVDBM-UHFFFAOYSA-N	226.265	-0.900	50	10	BBGE	
NC(=O)CC(=O)NNc1cnc2ccccc2n1	1466746440	DMSUYXQVWBKDEN-UHFFFAOYSA-N	245.242	-0.052	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1ncccn1	1584133244	UVGCJQVKFLIIQD-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CCNC(=O)NNC(=O)c1n[nH]c(C)c1O	1625729498	ZEVZCLICXYUXNI-UHFFFAOYSA-N	227.224	-0.612	50	10	BBGE	
CC(C)(C)OC(=O)N(O)CC(=O)NN	1879933776	HRAFSSKMEDVZCM-UHFFFAOYSA-N	205.214	-0.397	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H](N)CO	1889780818	DBDWIHDJTWUMNF-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1CC(=O)NN	1892801079	KTEGOZQXUWOXRT-YUMQZZPRSA-N	201.270	-0.933	50	10	BBGE	
N=c1[nH]nc(C(=O)NC[C@H]2C[C@@H]2Cl)[nH]1	1893106366	FLAJXKSULDKMCD-DMTCNVIQSA-N	215.644	-0.426	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](Cn2ccnc2)O1	1896927264	DIEFPTZVXYGPBY-IUCAKERBSA-N	224.264	-0.189	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@H]1F	1901201059	ANRYCWOHGZXHHC-SCZZXKLOSA-N	220.012	-0.240	50	10	BBGE	
C#C[C@H](C)Oc1ccc(B(O)O)cc1C#N	1901209849	XDFQXSBTVYOVRR-QMMMGPOBSA-N	215.017	-0.361	50	10	BBGE	
CC[C@@H]1NCC[C@H]1C(=O)NN(C)S(C)(=O)=O	1901376127	WIZXIKFDHZLDGW-SFYZADRCSA-N	249.336	-0.703	50	10	BBGE	
Cc1cc(CNC(=O)F)sc1B(O)O	1901750502	DBXFPEXSNVBEPP-UHFFFAOYSA-N	217.030	-0.085	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1901751873	JHDYYDOLYSYTFJ-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CN(C[C@@H]1CCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	1902003050	GZWHYYNESARVHU-YIZRAAEISA-N	227.069	-0.513	50	10	BBGE	
CC(C)CNC(=O)CN1CC[C@H](B(O)O)C1	1902506661	VZGRMXGZBRHVAQ-VIFPVBQESA-N	228.101	-0.693	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@H]3C[C@H]32)n1	1902640060	YTRSSEAGCZXERE-JGVFFNPUSA-N	238.121	-0.193	50	10	BBGE	
CC(C)S(=O)(=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1913443151	DRNMSDFBNXTMMK-JGVFFNPUSA-N	249.336	-0.718	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(COC)C1	1916280707	BHBRWEHIVAKYET-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
O=S(=O)(CCl)N(CCCO)CCCO	1922163237	SEKGOOPCEZUNHD-UHFFFAOYSA-N	245.728	-0.421	50	10	BBGE	
CCOCCN(C)C[C@@H]1C[C@@H]1C(=O)NN	1927912762	AICXCUPNHAJFOH-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
O=C(CCCl)N[C@H]1COC[C@H]1CO	1928734595	BJENELMMXRSYFF-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2nnnn2C)C1	1928752842	JJHPJQZMIPXXLY-NKWVEPMBSA-N	230.703	-0.779	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N=c1ncn(C)[nH]1	1929099953	IVERHYUAMBPEFZ-BYPYZUCNSA-N	231.643	-0.488	50	10	BBGE	
CNNC(=O)[C@H](OC)[C@@H]1CCCOC1	1930600306	CNZPDBFPZDHKPJ-HTQZYQBOSA-N	202.254	-0.321	50	10	BBGE	
O=c1[nH]cc[nH]c1=NC[C@@H]1COC[C@@H]1Cl	1933392436	OAYLVCKXTCJKJL-RQJHMYQMSA-N	229.667	-0.143	50	10	BBGE	
COC[C@@H](Oc1cnccc1C)C(=O)NN	1935646845	CFLRLYXDEIKDNL-SECBINFHSA-N	225.248	-0.226	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@H]1CCCNC1=O	1935735995	XRBWHBYJFNGYTK-ZCFIWIBFSA-N	247.682	-0.423	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cnc([N+](=O)[O-])c1	1936083827	KWSZTMLPXXGCQP-PHDIDXHHSA-N	225.208	-0.583	50	10	BBGE	
COCC1(N(C)CCOCC(=O)NN)CC1	1936532293	IBOVFJVFEUJFMN-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
COc1ccc(CN(C)OC)cc1B(O)O	1937141490	TVYFMSNWUCHCBJ-UHFFFAOYSA-N	225.053	-0.632	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C[C@@H]1C[C@@H]1C(=O)NN	1941085710	FJMCWIWGIRVXIX-VPOLOUISSA-N	240.351	-0.363	50	10	BBGE	
COC(OC)[C@H](C)N(C)CC(=O)NNC(C)=O	1941989493	PHFXGZCAHYHBNK-ZETCQYMHSA-N	247.295	-0.907	50	10	BBGE	
CCCCN(CC(=O)O)CC(=O)NNC(C)=O	1946242643	JMCRURDZBZRMOB-UHFFFAOYSA-N	245.279	-0.660	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(N2CCC2)C1	1946876120	KOPMVMGGYSECSQ-SNVBAGLBSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2F	1957875564	QGODRENBHYIMIT-BWBBJGPYSA-N	215.228	-0.771	50	10	BBGE	
CCC[S@@](=O)Nc1ccc(B(O)O)cn1	1958187131	ISJUAWSGYUUGLL-OAHLLOKOSA-N	228.082	-0.753	50	10	BBGE	
COCCOCc1cnsc1C(=O)NN	1961919197	NXLAADQQAATCSM-UHFFFAOYSA-N	231.277	-0.090	50	10	BBGE	
O=C1NC[C@@]2(CCN(C[C@H](O)CCl)C2)N1	1974909682	UUTOSVYJLYEMOC-VXNVDRBHSA-N	233.699	-0.657	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCC[C@](O)(C(N)=O)C1	1976901565	CMOXPUCOHYFISQ-OIBJUYFYSA-N	248.710	-0.157	50	10	BBGE	
C[C@H]1CC[C@H](CCn2cc(B(O)O)cn2)O1	1977042300	OXJYENPJJGXLKG-WCBMZHEXSA-N	224.069	-0.480	50	10	BBGE	
CC(C)CO[C@H](C)Cn1cc(B(O)O)cn1	1979008252	XQBJNWHKEVLXBW-SECBINFHSA-N	226.085	-0.376	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCO)[C@H]1C[C@@H]1C	1979617265	YLKVAKPVWIKBQY-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
Cc1coc(Sc2ncc(B(O)O)cn2)n1	1981455059	ULZGWFDSMCLLCD-UHFFFAOYSA-N	237.049	-0.396	50	10	BBGE	
CC1(F)CN(c2ncc(B(O)O)cc2F)C1	1981468696	HATVFZUKHPRQNC-UHFFFAOYSA-N	228.007	-0.551	50	10	BBGE	
CC[C@H](OCCN1CCOCC1)C(=O)NN	1982847377	XLRUSJOYLMSENM-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CNC(=O)N(C)[C@@H](C)c1nscc1B(O)O	1987160647	DZHDYJHQEMFFJQ-YFKPBYRVSA-N	243.097	-0.845	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CCCCC(=O)NN	1990038391	GCGUYHBYLJGCEN-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CN1CCC[C@@H](OCCOCC(=O)NN)C1	1992109700	ALUDIUJDGBEORN-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C=C(CN1CC[C@H]2CC[C@@H](C1)N2C)B(O)O	1992152522	GIHMGBPQJUHSKA-MNOVXSKESA-N	224.113	-0.277	50	10	BBGE	
C=C(CN1C[C@@H]2[C@@H](CC[C@H]2OC)C1)B(O)O	1992160099	RRIZXZWWBPRDOQ-HBNTYKKESA-N	225.097	-0.089	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[C@@H]1CO	2000985332	WSOMPXFFYMUVKH-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
C=C1CON(Cc2nn(C)cc2C(=O)NN)C1	2003506380	SMMGYTPFAPWLCP-UHFFFAOYSA-N	237.263	-0.673	50	10	BBGE	
CN(C[C@H]1CCOC1)c1ccc(B(O)O)cn1	2004916362	KWBVKPLLZFECDV-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cncnc1N1CCCC12CCC2	2004916996	SOGSWGJURMWSEH-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
C[C@H]1COCCCN1c1ccncc1B(O)O	2004940646	YWBKDZVCGBFDBO-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]1C[C@H]2O	2008872102	ZTJDZPLFAOCTNZ-GJMOJQLCSA-N	249.261	-0.543	50	10	BBGE	
CCOCCOCCOC[C@@H]1C[C@@H]1C(=O)NN	2010594298	IKKOOHCPVZVSAD-UWVGGRQHSA-N	246.307	-0.318	50	10	BBGE	
C[C@@H]1C[C@@H]2CN([C@H](C)CC(=O)NN)CCN2C1	2010601565	WNQLBJSHWWRNAY-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
C[C@@H](CN(C)c1ncc(B(O)O)cn1)C(F)F	2012201917	PWUQPZZEFFULNX-LURJTMIESA-N	245.038	-0.506	50	10	BBGE	
OB(O)c1cnccc1OCCn1ccnc1	2012464834	BSNDLGQDFRCXDK-UHFFFAOYSA-N	233.036	-0.963	50	10	BBGE	
CC[C@@](C)(CN(C)CCOCC(=O)NN)OC	2013417468	JILDLXVFSMHBOP-NSHDSACASA-N	247.339	-0.260	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)[C@@H]3CC[C@H]32)CC1	2015991292	VLHNIOFUSNAPNA-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	2016209533	WYTYSMPHVAULBP-KBIXCLLPSA-N	245.298	-0.308	50	10	BBGE	
COC[C@@H](OC[C@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)NN	2016500020	MQUPKZUWOMSWEU-VCYFCAHESA-N	240.303	-0.090	50	10	BBGE	
O=C(Cc1ccccc1O)NCC=CB(O)O	2020066972	BOUDFAAGVJRBPK-UHFFFAOYSA-N	235.048	-0.381	50	10	BBGE	
C=C(CN1C[C@H](COC)OC(C)(C)C1)B(O)O	2021157871	SJFUVOUHUNTHDD-SNVBAGLBSA-N	243.112	-0.320	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@]3(CCO3)C2)c1	2035807404	ZEEWQSIRPYSSAM-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCc1ncccn1	2044807755	MSCZQOAETRPCOO-RKDXNWHRSA-N	247.254	-0.065	50	10	BBGE	
Cn1cc(C(=O)NN)c(COc2cccnc2)n1	2050247031	ODGREGQXVBIJCF-UHFFFAOYSA-N	247.258	-0.002	50	10	BBGE	
Cc1nccn1C[C@H](C)Cn1cc(B(O)O)cn1	2050449549	ZGHCPPGAPZPOJE-VIFPVBQESA-N	248.095	-0.596	50	10	BBGE	
Cc1ncoc1CN(C)c1ncc(B(O)O)cn1	2052471229	LDBVOLLVUDWFCL-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
Cn1cc(NC(=O)CCl)c(O)nc1=O	2065373377	LVQWXHSDOVMRJV-UHFFFAOYSA-N	217.612	-0.337	50	10	BBGE	
COC12CC(C1)N(Cc1cccc(B(O)O)c1)C2	2065706338	XMYKGGXBILVYBR-UHFFFAOYSA-N	247.103	-0.270	50	10	BBGE	
COC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCl	2209482418	YTQIZHHYTKBXCD-IWSPIJDZSA-N	223.700	-0.332	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@@H]1CN(C)C2	2210730290	CXULWMOZEQMGRE-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
CC#CCN(C)Cc1cccc(B(O)O)c1	2211136693	YZPQHOMQZDTOHF-UHFFFAOYSA-N	217.077	-0.179	50	10	BBGE	
N#Cc1ncn(C[C@H]2CC[C@@H]2C(=O)NN)n1	2211838171	DFRDOEHAXBVSTG-RQJHMYQMSA-N	220.236	-0.834	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCC2)C1=O	2212249977	BRHHKZLFYCTOMF-UHFFFAOYSA-N	226.280	-0.486	50	10	BBGE	
CO[C@H](C)CCNc1ncccc1B(O)O	2212615136	KEXNOJNRCYJWEU-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOC[C@H]1CF	2215770351	AYPSMPZOJUHQNJ-IVZWLZJFSA-N	245.298	-0.327	50	10	BBGE	
CC[C@H](C)[C@@H](CO)Nc1ncccc1B(O)O	2217177486	JMKJKIJIYLODCF-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)Nc1ccc(B(O)O)cn1	2217180516	IILYANWQQLFMLF-PSASIEDQSA-N	238.096	-0.420	50	10	BBGE	
CCNCCN(C)c1cc(B(O)O)c(C)cn1	2217180844	LGIDOXGYKOLIHZ-UHFFFAOYSA-N	237.112	-0.884	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncccc2B(O)O)CCN1	2217181508	QUUMXBRSKVGJBY-IUCAKERBSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CCCOC2)[nH]c1	2217184549	PZDUTLCUMQADEK-SECBINFHSA-N	236.080	-0.978	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2217200268	JAUSIVUELAHDPJ-CWBSFMPJSA-N	231.064	-0.777	50	10	BBGE	
C[C@H]1CN[C@H](C)CN1Cc1cccc(B(O)O)c1	2220063498	LWFPTFIJHDHOFV-MNOVXSKESA-N	248.135	-0.451	50	10	BBGE	
C[C@@H](Cn1cccn1)Nc1ccc(B(O)O)cn1	2223637014	CGRZDYFONGGCKZ-VIFPVBQESA-N	246.079	-0.542	50	10	BBGE	
Cc1cnc(NC[C@H]2CC[C@@H](N)C2)cc1B(O)O	2223651019	UKUMPTGRUDHDKO-VHSXEESVSA-N	249.123	-0.391	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c1F	2223651505	XLVHBOAWQDKSIB-VEVYYDQMSA-N	248.066	-0.255	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CC3(CC3)CN2)nc1	2223669068	FRJFEBGDBIXCRC-SNVBAGLBSA-N	247.107	-0.685	50	10	BBGE	
O=C1C[C@@H](N[C@H]2C[C@H](Cl)C2)C(=O)N1	2241671053	UAYWFDCDZQJWSG-HSUXUTPPSA-N	202.641	-0.239	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@]2(O)C[C@@H]2C1	2242811733	XYPISIMPWQKSAJ-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
COc1ccc(B(O)O)c(OC2CCC2)n1	2243086440	PAMKUQSLYKMLTG-UHFFFAOYSA-N	223.037	-0.299	50	10	BBGE	
Cc1c(NC(=O)C2(B(O)O)CC2)nnn1C	2243363833	NEGGRJVSOYUEKA-UHFFFAOYSA-N	224.029	-0.931	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)n[nH]1	2243371847	AFSCWQKUOVWXOD-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
CC(C)=CCNC(=O)c1sncc1B(O)O	2243386092	UNGXFWKFMDAMFG-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CN(CC1=CCSC1)C(=O)[C@H]1C[C@H]1B(O)O	2243390769	BBNPVBFECMOWCI-DTWKUNHWSA-N	241.121	-0.019	50	10	BBGE	
O=C(NN1CCCCC1)[C@H]1C[C@H](B(O)O)C1	2243392784	XDYJRMZZJSMJMD-KYZUINATSA-N	226.085	-0.244	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)nn1	2243404484	OZOWODSJEQEQQF-OLQVQODUSA-N	224.029	-0.993	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1csnc1B(O)O	2243410923	KJLPQAGKPRREOO-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
COC[C@H](C)CNC(=O)C1(B(O)O)CCC1	2243410950	LAJMLTPVTDDAKO-MRVPVSSYSA-N	229.085	-0.218	50	10	BBGE	
CN(CC1CC1)C(=O)c1csnc1B(O)O	2243412166	HQYGPYYFSJYHSI-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
CC(C)CCNC(=O)c1sncc1B(O)O	2243414820	ISAVLQJPRWRLEI-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243419601	CBXWXZLLPUGRNF-HRDYMLBCSA-N	226.085	-0.953	50	10	BBGE	
C=C[C@H](NS(=O)(=O)CC(=C)B(O)O)C1CC1	2243420265	PNGHHBMEEFHQTH-VIFPVBQESA-N	245.109	-0.561	50	10	BBGE	
C=CCNC(=O)c1cccc(Cl)c1B(O)O	2243510055	SSNSOLAZNMJAJN-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
C[C@@H]1CC=CC[C@@H]1C(=O)NCC#CB(O)O	2243678123	FFYXMPYTDSDKSY-ZJUUUORDSA-N	221.065	-0.280	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247743267	BFIGAUHFCARNJS-UWVGGRQHSA-N	239.080	-0.846	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)C1(B(O)O)CCC1	2247750557	LDIKHEBWXUBJJY-QMMMGPOBSA-N	240.112	-0.278	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCCF)n1	2247757975	TUFHHUXRADWODE-UHFFFAOYSA-N	240.043	-0.841	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247785392	KEWMOQRJGSWAHA-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
Cc1noc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)n1	2247787343	NVIYMJIYALKMQH-KNVOCYPGSA-N	239.040	-0.753	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)C(F)F)oc1B(O)O	2247789462	WQWDBINTRLBRBJ-YFKPBYRVSA-N	247.006	-0.349	50	10	BBGE	
O=C(NCc1ccc(F)cn1)[C@H]1C[C@H]1B(O)O	2247797688	MCEBNYFPQABYKA-DTWKUNHWSA-N	238.027	-0.300	50	10	BBGE	
O=C(N[C@H]1CNC[C@H](F)C1)C1CC(B(O)O)C1	2247801051	WKHPGSZDCQVOJP-GEPGNKONSA-N	244.075	-0.944	50	10	BBGE	
C[C@H](N)C1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247810646	ZADFPINRJDJGFK-HGNGGELXSA-N	240.112	-0.565	50	10	BBGE	
O=C(C#CB(O)O)Nc1noc(C2CCC2)n1	2247847445	XHLLLIMCQAJGJL-UHFFFAOYSA-N	235.008	-0.709	50	10	BBGE	
O=C(NC[C@@H](F)[C@H]1CCOC1)C1(B(O)O)CC1	2247854792	IMNKCUOOGNTHGE-JGVFFNPUSA-N	245.059	-0.516	50	10	BBGE	
O=C(NCC1CCC1)c1cncc(B(O)O)c1	2247869712	XGRLRWNUFKVAJD-UHFFFAOYSA-N	234.064	-0.709	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1coc(B(O)O)c1	2247870809	QGOSRKVXYNYWJR-BRPSZJMVSA-N	235.048	-0.655	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CCC(O)CC1	2247873110	FDNAAEMZSHEYNT-UHFFFAOYSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)C2(B(O)O)CC2)[C@@H]1C	2247878891	PTURGLDLYUVPBS-HRDYMLBCSA-N	240.112	-0.409	50	10	BBGE	
C[C@@H]1CC[C@H](CN)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247898727	HIYOZPZUHUIKSZ-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
CCC(CC)(NC(=O)C1(B(O)O)CC1)C(=O)O	2248573833	KDIQYWWQQQAFDN-UHFFFAOYSA-N	243.068	-0.247	50	10	BBGE	
C[C@H](CCCNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248586060	VFGSPTVVBSJZDH-GJMOJQLCSA-N	243.068	-0.534	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC=CC1	2248967758	CXCIOUKBYYEAHD-UHFFFAOYSA-N	232.048	-0.918	50	10	BBGE	
CN(CC1COC1)C[C@H]1CC[C@H](C(=O)NN)O1	2249014024	OIXSXCHFUOFQHR-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cocc1B(O)O	2249409295	UXSWNCNRJNTWQT-RNLVFQAGSA-N	235.048	-0.512	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1cocc1B(O)O	2249417527	HKRXPUQUQPLWHF-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1occc1B(O)O	2255481801	LWRJECNGWYGHCU-IBCQBUCCSA-N	249.075	-0.266	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC=CCN2)c1	2255513600	UNGHDJNQQYZVPU-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
C=C1CCN(C(=O)c2ncccc2B(O)O)CC1	2255519600	ZHMNWXPGSTWEKL-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C1CCC1	2255555336	ZLYLHYQSDUKULL-QMMMGPOBSA-N	249.079	-0.826	50	10	BBGE	
CN(Cc1cccnn1)C(=O)C1CC(B(O)O)C1	2255564348	OPFYFJFZFDSWER-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	2255678154	AHBRPZZVAJQHSC-GDPRMGEGSA-N	249.075	-0.924	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258126028	CWXLMDNNJHHKFC-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1cocc1B(O)O	2258128096	NUUQAMXEEFGWDX-HBWJFZBQSA-N	247.059	-0.656	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](CO)C1)[C@@H]1C[C@@H]1B(O)O	2298376659	HMHHUDAIFNJZDR-QEYWKRMJSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377531	UXLDOEFURFXPBI-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
CC1(CO)CN(CCC[C@H]2C[C@H]2C(=O)NN)C1	2300368428	FIOQSHTZEOTEMA-VHSXEESVSA-N	241.335	-0.293	50	10	BBGE	
CC12CC(C1)[C@@H](NC(=O)C1(B(O)O)CC1)CO2	2300511075	RHNGYRGBDVTMLE-ZCUBBSJVSA-N	239.080	-0.323	50	10	BBGE	
C[C@H](CC(=O)NN)OCc1nnn2c1CCC2	2301183869	VSPUMYRZEHQMMM-SSDOTTSWSA-N	239.279	-0.491	50	10	BBGE	
COCC(CCOC[C@@H](C)C(=O)NN)COC	2301613884	KBZWPDQWMGGYSB-SECBINFHSA-N	248.323	-0.072	50	10	BBGE	
C[C@H](CCN)N(C)c1cc(B(O)O)c(F)cn1	2303847023	BINNZCORQXYLNX-SSDOTTSWSA-N	241.075	-0.926	50	10	BBGE	
CNC[C@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445830	DBXGJQOOANTRJA-SNVBAGLBSA-N	241.291	-0.600	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2318348245	QWFQKMDOHMTNKK-GDPRMGEGSA-N	248.091	-0.625	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CCS(=O)(=O)C1	7965701	OWFZWLSJQCAKBJ-ZCFIWIBFSA-N	206.267	-0.986	50	10	BBGE	
Cn1cc(C(=O)Cl)c(=O)n(C)c1=O	39057230	HLMTVPXMGDYRAN-UHFFFAOYSA-N	202.597	-0.537	50	10	BBGE	
CN(CC(=O)NC1CC1)C(=O)NC(=O)CCl	42692483	QLHIPBREEBEOAZ-UHFFFAOYSA-N	247.682	-0.328	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC(C)(C)O	86313744	IUXWXBPWCNTLHI-JGVFFNPUSA-N	217.313	-0.296	50	10	BBGE	
C[C@H]1CC(=O)N(CCCCC(=O)NN)C1=O	110505383	BGXNEALKEWEHCJ-ZETCQYMHSA-N	227.264	-0.458	50	10	BBGE	
C[C@H]([C@@H]1CCCO1)N1CC(=O)OC(=O)C1	111217693	VKWBUYKMOFOPKC-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
NNC(=O)C(F)(F)Oc1cccnc1[N+](=O)[O-]	113170414	WJWWZMXSUMSHLI-UHFFFAOYSA-N	248.145	-0.049	50	10	BBGE	
CC(C)(CN1C[C@H]2[C@@H](O)CC[C@H]2C1)C(=O)NN	125790313	QCDZXNCYFIEHJT-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
NC(=O)NCCNS(=O)(=O)CCCCl	133480031	SATUCRMCDJKARR-UHFFFAOYSA-N	243.716	-0.797	50	10	BBGE	
NC(=S)NN(C(=O)CCl)C(=O)CCl	142609041	WGIWVNKQMGUBRW-UHFFFAOYSA-N	244.103	-0.433	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H](C(=O)O)C1	149128247	NHDJCYNZEBZNHE-ZETCQYMHSA-N	215.253	-0.031	50	10	BBGE	
NNC(=O)CCN1C(=O)CCSC1=O	166876094	XPLQGMYXFLIOAL-UHFFFAOYSA-N	217.250	-0.548	50	10	BBGE	
OB(O)c1ccc(F)c(-c2ccncn2)c1	197065988	LHNJJBIAEQMRCI-UHFFFAOYSA-N	217.996	-0.038	50	10	BBGE	
O=C(Cl)[C@H]1C(=O)S[C@H]2CC(=O)N21	210180852	MMTCCZKEGOVAHQ-IMJSIDKUSA-N	205.622	-0.048	50	10	BBGE	
C/C(=N/NC(N)=O)[C@@](C)(N)CCC(=O)O	218863080	VLRQNKLHVAJIKG-SDZLHINSSA-N	216.241	-0.387	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C)C[C@@H]1C	234041743	CTWHHLBHIYPGDR-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CN(N=O)C(=O)NCC[C@@H](N)C(=O)O	238293118	FHDPKXFRLZRXHW-SCSAIBSYSA-N	204.186	-0.889	50	10	BBGE	
OB(O)c1ccnc(CC(F)(F)F)c1	238629939	PDAOZEGTXAGGAC-UHFFFAOYSA-N	204.944	-0.134	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc2c(c1)OCO2	258981879	JTBVRCMYCQXAET-MRVPVSSYSA-N	209.205	-0.595	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2C[C@H]2C1	307542567	ZNRPAFMRIBYLQE-PHIMTYICSA-N	217.077	-0.182	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@H]3C2)O1	380336331	HBYHGKNTXMGMOT-RGOKHQFPSA-N	225.292	-0.524	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(COC)C1	381406851	WTKMFAUYHFWUEJ-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCN(C)C1	381596826	FTDSPUSWFXHBMA-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
Nc1cc(B(O)O)cc2c(C=O)csc12	396268767	FJHBDMWAQMOHHH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)CC(F)(F)F	396894622	DRSNPDPSRDIUOL-BYPYZUCNSA-N	227.186	-0.319	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C(=O)C1CC1	405026589	JRGIVIWSQUNUAY-UHFFFAOYSA-N	233.076	-0.265	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@@H]21	685956737	IFBJDDWMGDVGNL-RITPCOANSA-N	205.208	-0.294	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H](F)C1	689816464	IRNWXPBVNGEJCP-SNVBAGLBSA-N	223.056	-0.090	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](NC(N)=O)C1	690796038	PZMOUJMENLDMRU-NTSWFWBYSA-N	219.672	-0.117	50	10	BBGE	
Cc1cc(N2CCC(O)(C#N)CC2)nc(NN)n1	692151542	KCCYMYDPRLJKQW-UHFFFAOYSA-N	248.290	-0.075	50	10	BBGE	
CN(C[C@@]12CCC[C@H]1C2)C(=O)C(=O)NN	693537970	WFVRTCKZQDUOLF-XVKPBYJWSA-N	211.265	-0.375	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC2=O)cc1	696378917	RUTQMWUCPXNMGO-UHFFFAOYSA-N	234.259	-0.185	50	10	BBGE	
O=C(NCC1CC1)Nc1ccc(B(O)O)cc1	701045153	PQJVUURMUAAMEU-UHFFFAOYSA-N	234.064	-0.102	50	10	BBGE	
O=C(OCCl)N1C[C@@H](CO)[C@@H](CO)C1	705330287	OPGLLWOMKILJFG-KNVOCYPGSA-N	223.656	-0.148	50	10	BBGE	
COCC1(N(C)[C@@H](C)CC(=O)NN)CC1	707147117	KJBATVOJKWEURE-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H](F)[C@H](F)C1	714565783	NVDYQTYBCICYJV-CWKFCGSDSA-N	221.251	-0.007	50	10	BBGE	
CN(C)C[C@H](Cl)CNCc1nnn(C)n1	717277116	LEKJQEAJFSGHHV-SSDOTTSWSA-N	232.719	-0.531	50	10	BBGE	
C[C@H](CO)SCc1nsc(C(=O)NN)n1	724324416	MBBUFDGUUHHUCN-SCSAIBSYSA-N	248.333	-0.244	50	10	BBGE	
CSSCCNC(=O)C1=NNC(=O)C1	803479981	RFEAQMZPSFHAHQ-UHFFFAOYSA-N	233.318	-0.010	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CO[C@@H](C)C2)n1C	856047028	VXUZBNLXWQOLMW-XPUUQOCRSA-N	239.279	-0.008	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1	862469693	AKYMFBNMAIYHSZ-ZETCQYMHSA-N	237.263	-0.878	50	10	BBGE	
O=C(CC1CSC1)NNC(=O)c1cn[nH]c1	869384690	DXPBVENJBHYCAD-UHFFFAOYSA-N	240.288	-0.076	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NCCC	900394924	RLOUCRWILOTEBZ-GLCRXLCDSA-N	215.253	-0.336	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1	931114730	WICLTDXTKYVBMZ-HTQZYQBOSA-N	243.263	-0.906	50	10	BBGE	
O=C(COC(F)F)NNc1nc[nH]n1	1161432216	ZDAXIFRARURLJR-UHFFFAOYSA-N	207.140	-0.513	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCC=CO1)c1ncon1	1179588301	IIBDAYGYGGCJCV-ZCFIWIBFSA-N	238.203	-0.477	50	10	BBGE	
COC(=O)C(=O)NN=Cc1conc1C	1324925420	YVXAGVVFRUQHEP-UHFFFAOYSA-N	211.177	-0.394	50	10	BBGE	
Cn1cc(C=NNC(=O)CO)c(Cl)n1	1331121893	YMXYLMCXGMHDIL-UHFFFAOYSA-N	216.628	-0.484	50	10	BBGE	
Cn1ncc(C#N)c1N1CC[C@@H](B(O)O)C1	1333989637	HFQWQZRKGBMLPP-MRVPVSSYSA-N	220.041	-0.655	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1ccnnc1	1469120198	JWBNWKVQUISPQN-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
NC(=O)CCNC(=O)[C@@H]1C[C@H]1Br	1877415426	YROONUUQBAWQCQ-RFZPGFLSSA-N	235.081	-0.239	50	10	BBGE	
NC(=O)CNC1CC(Br)C1	1880046291	WKEDMJMVKOLAAJ-UHFFFAOYSA-N	207.071	-0.013	50	10	BBGE	
O=S(=O)(CCF)N[C@H]1COC[C@@H]1Cl	1881976180	OVLLRUGKFPDCCB-WDSKDSINSA-N	231.676	-0.119	50	10	BBGE	
O[C@H]1[C@H]2C[C@H](CN(CCCl)C2)[C@@H]1O	1882456586	RSIKMTTUSSSWHV-KZVJFYERSA-N	205.685	-0.101	50	10	BBGE	
O=C(CCl)N1CCO[C@H]2COC[C@@H]21	1883211095	SMSZNTAELZMHCZ-BQBZGAKWSA-N	205.641	-0.149	50	10	BBGE	
Cl[C@@H]1C[C@@H]1CNCCn1cnnn1	1883567498	PKHDOXUNYLKWPX-RNFRBKRXSA-N	201.661	-0.110	50	10	BBGE	
CC[C@@H](CN(C)CCC(=O)NN)OC	1887658631	YQWFJGRCWKHSBU-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C#CC(=O)NN(C)S(=O)(=O)C1CCC1	1888555485	ZCDZOXHKHJFYGV-UHFFFAOYSA-N	216.262	-0.535	50	10	BBGE	
CC(C)(O)[C@H]1CCN1CCC(=O)NN	1888653110	XXBVLZBZJGEHNI-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
N=c1[nH]c(N)cc(=NC[C@H]2C[C@@H]2Cl)[nH]1	1893098041	GQOFCIBSPLHOGA-UHNVWZDZSA-N	213.672	-0.068	50	10	BBGE	
CC(C)=C(CN1[C@H](C)CCS1(=O)=O)B(O)O	1901625414	LYJLEOSERXFJCL-MRVPVSSYSA-N	247.125	-0.241	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC(CCF)C2)O1	1908720237	ZFXQIOMXQLLYSR-ZJUUUORDSA-N	245.298	-0.185	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CO[C@H]2CCOC2)O1	1909805479	OXJXXLDCVZEOHG-GUBZILKMSA-N	244.291	-0.281	50	10	BBGE	
C[C@H](CN(C)C[C@@]12CCOC[C@@H]1C2)C(=O)NN	1909873517	XCTVFRWONPNJGF-SCVCMEIPSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CCO)N(C)CC1(C(=O)NN)CC1	1916510354	FXSIMHFRKNOOML-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@H]1CCNC1=O	1916840730	XXTITPSUDZELTM-WDSKDSINSA-N	204.657	-0.039	50	10	BBGE	
C[C@](N)(C(=O)NNC(=O)C(F)(F)F)C1CC1	1923384948	KQJWAEGVAFHVFA-SSDOTTSWSA-N	239.197	-0.177	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1927933870	ISSSOTIBMSROSU-VXNVDRBHSA-N	213.281	-0.524	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@H]1CO2	1928121990	OAYQDYZHNBGTTL-LYFYHCNISA-N	213.237	-0.499	50	10	BBGE	
CC[C@@]1(C(=O)NNC(N)=O)CCCO1	1929049662	IGWUUSZZNVKQSX-QMMMGPOBSA-N	201.226	-0.355	50	10	BBGE	
NNC(=O)C1(Cn2ccncc2=O)CC1	1931267746	YKQLGYARWHYNKB-UHFFFAOYSA-N	208.221	-0.987	50	10	BBGE	
C[C@@H]1CCOC[C@H]1OCCC(=O)NN	1932289852	IHRWONWQEIDQJJ-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
NNC(=O)C(=O)N1CCCSC[C@H]1C1CC1	1935863810	LIOLGEZCDKAEMH-QMMMGPOBSA-N	243.332	-0.280	50	10	BBGE	
COC[C@H](COC[C@H]1C[C@H]1C(=O)NN)OC	1936094595	OOXMRGLAQDLPJM-IWSPIJDZSA-N	232.280	-0.710	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C(C)(F)F)C1	1938437880	ITISYGGBSZLDTB-ZETCQYMHSA-N	237.250	-0.422	50	10	BBGE	
COC[C@H](Sc1cc(N)ccn1)C(=O)NN	1938849976	AFPHFVRTVCRLLG-ZETCQYMHSA-N	242.304	-0.239	50	10	BBGE	
CC[C@H](NC(=O)NC(=O)CCl)C(=O)N(C)C	1939614671	VVOZDPSHECLMOK-LURJTMIESA-N	249.698	-0.082	50	10	BBGE	
Cc1ncc(OCOCC(F)F)cc1B(O)O	1944235237	JRATURPUZLRETB-UHFFFAOYSA-N	247.006	-0.312	50	10	BBGE	
COC(=O)N1CCc2c(cccc2B(O)O)C1	1944885890	JQVFMBMIJLYUIU-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
COC[C@@]1(O)CCN(CC(C)(C)C(=O)NN)C1	1946478765	IBBGHTFIXNLIID-LLVKDONJSA-N	245.323	-0.914	50	10	BBGE	
COCCN(CCCC(=O)NN)[C@@H]1CCOC1	1946753872	NWJUVTYFRPFFEM-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@H](CN1CC2(CC[C@@H]1CO)CC2)C(=O)NN	1948553159	ARETWXYSVMKUKP-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H]1CONC1=O	1954239599	OHQZUFFRMSBIRK-CRCLSJGQSA-N	206.629	-0.450	50	10	BBGE	
CCn1nnnc1CNC(=O)[C@@H](C)Cl	1956729283	NAYVZOJSUFRLNO-RXMQYKEDSA-N	217.660	-0.064	50	10	BBGE	
CC1(C)C[C@@H](CO)CN(C(=O)NN)C1	1956957004	HLFLZNLBWMJYIH-SSDOTTSWSA-N	201.270	-0.090	50	10	BBGE	
C[C@H]1C[C@@H](CN(C)CCC(=O)NN)CO1	1958051980	RHTVZMBQGICSKV-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2CC(C2)C1	1959798927	XRJGXMQZUXNHCH-YDYPAMBWSA-N	209.293	-0.046	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC2(CCC2)CO1	1979379552	LFNGTZUSPXJMML-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN=[S@](C)(=O)N1CCCC1)C(=O)NN	1979784076	FPYUHVYSVFNPMH-BCTVWOGZSA-N	248.352	-0.279	50	10	BBGE	
CN(C(=O)C(=O)NN)C1(CO)CCCCC1	1980803511	OCPTZDUQKVPKKU-UHFFFAOYSA-N	229.280	-0.870	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2OCC[C@@H]2C1	1981243057	RIPMHRWPLLRPMA-RNFRBKRXSA-N	235.234	-0.668	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCCC[C@@H]1O	1981406992	KTSOBVCBCABILJ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CC1(C)C	1981408963	HGQRAFCUXQAVPT-SNVBAGLBSA-N	220.081	-0.004	50	10	BBGE	
CN(CCC(F)F)c1ccncc1B(O)O	1981413224	CZNMWNBIGVTVSV-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
Cc1nc(N2CC(C)(F)C2)ccc1B(O)O	1981471884	MCPYQFNXJOLJJH-UHFFFAOYSA-N	224.044	-0.382	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCCC[C@H]1CO	1981555460	UHJPTUKOWGFZGQ-GUBZILKMSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C1(CN2C=CS(=O)(=O)C=C2)CC1	1983340914	CVULPVCMJXPJBN-UHFFFAOYSA-N	243.288	-0.571	50	10	BBGE	
C[C@H](COc1cccc(B(O)O)c1)N(C)C	1983808368	DRBTUTCEMTWXFW-SECBINFHSA-N	223.081	-0.305	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H](C2)[C@H]1CO)C(=O)NN	1984193162	NICPCHMYEHPDFI-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@@H]2CC[C@H](C1)O2	1985270357	PHFJWDUDPJYXGQ-OWUUHHOZSA-N	227.308	-0.134	50	10	BBGE	
CO[C@H](C)COc1ncc(C)cc1B(O)O	1986052537	YTOQWHOAEHOIIE-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2[C@@H]1CCN2C	1986250465	YITZTKZCOZLSNY-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C1(CO)CC1	1986546436	NSJAUEIXMMRERT-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1CCOC1	1988006149	WEBCIAOWCKSSCZ-SSDOTTSWSA-N	227.000	-0.932	50	10	BBGE	
COCCC1(Cn2ccc(B(O)O)n2)CC1	1990566609	INIXCZXXYARLOP-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@@H](CCO)C1	1991656295	FZPPIWWIPVMJDZ-QMMMGPOBSA-N	246.694	-0.509	50	10	BBGE	
C=C(CN(C)C[C@]12CCOC[C@@H]1C2)B(O)O	1992144857	FVVKXJTVTAHTQS-WDEREUQCSA-N	225.097	-0.087	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993215396	OFTFWMNPNPLJAF-LOKLDPHHSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@](F)(CO)C1	1995937692	NKANAMPPRXVXRU-IQJOONFLSA-N	247.314	-0.203	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C2	2001049785	QISUFRYNJHWBIN-DNRKLUKYSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)CC12CC2	2003755753	VMEZNYNJGAMYHS-IVZWLZJFSA-N	241.335	-0.010	50	10	BBGE	
Cc1nnc2n1CCN(C[C@H](C)C(=O)NN)C2	2003922925	OCFUOKXENBNQMC-ZETCQYMHSA-N	238.295	-0.972	50	10	BBGE	
NNC(=O)COCCN1CCOCC2(CC2)C1	2004237873	GYFFSZAQRWKDNI-UHFFFAOYSA-N	243.307	-0.895	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004919397	YLYRAHMUAGSXIP-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
Cc1ccnc(N2CC3(CC3)CO2)c1B(O)O	2004920216	HZYDDOMHVYOCNC-UHFFFAOYSA-N	234.064	-0.398	50	10	BBGE	
OB(O)c1cncnc1N1CC2CCC1CC2	2004920725	MYIRBVWQRVESAU-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)[C@H]2C)ncc1B(O)O	2004972654	IPWPWZCELYOTKL-VXNVDRBHSA-N	235.096	-0.300	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H](O)C2(CCCCC2)C1	2006030900	SVHITTNAWJNXDE-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CCCC2)C1	2006546928	IPHXUCFXIXLIQU-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H](OC)C(C)C	2014868577	XZYQAXLNGAAWTK-NXEZZACHSA-N	247.339	-0.406	50	10	BBGE	
NNC(=O)CCCCN1CCNC(=O)C12CC2	2014888084	IESKKVFVNAYDNL-UHFFFAOYSA-N	240.307	-0.889	50	10	BBGE	
CC1(COc2ccc(F)c(B(O)O)c2)COC1	2021345394	LZIAKPUVXWOQRX-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)C1(F)CC1	2025665241	ZTQXYXOIAJPXEN-UHFFFAOYSA-N	237.039	-0.515	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2052470320	CACFZICRHIEHPG-QGKZMRNZSA-N	245.091	-0.753	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(F)c1	2052621099	BURFMDZGGBPGFJ-YNCDLQQUSA-N	248.066	-0.255	50	10	BBGE	
N#Cc1ccc([N+](=O)[O-])c(B(O)O)c1Cl	2060110898	CEMJAQJIWFRXPY-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
C#CCC1CN(C(=O)c2ccccc2B(O)O)C1	2082419851	BQKALJPIVPOYIS-UHFFFAOYSA-N	243.071	-0.538	50	10	BBGE	
CN1CC[C@H](OC[C@H]2CC[C@H]2C(=O)NN)C1	2211839655	XMPTVTXWONDSBF-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)C[C@H]1C	2212601497	OTBWQGGIIMDWMQ-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
CC(C)C1CN(c2cc(B(O)O)ccn2)C1	2212602914	ANLCKXFWSQPCDA-UHFFFAOYSA-N	220.081	-0.146	50	10	BBGE	
C[C@H](CN(C)C)Nc1ccc(B(O)O)cn1	2212604830	ZOVMIHVPFIYWBM-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C1(C)CC1	2212604929	UVDYRKBCFUUNJE-UHFFFAOYSA-N	224.044	-0.111	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCCC[C@H]21	2213188332	FCODESASLAJGAT-YIZRAAEISA-N	241.291	-0.702	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC=CC[C@H]1CO	2215777533	SZUVPDYGNNPINI-OUAUKWLOSA-N	239.319	-0.375	50	10	BBGE	
NNC(=O)C1(Cn2ccc([N+](=O)[O-])n2)CCC1	2216530880	UQNKMTJCHRWIBP-UHFFFAOYSA-N	239.235	-0.049	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCC[C@@H](O)C1	2217175989	QDAJEROITQTCIF-DTWKUNHWSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1cn[nH]c1	2217178509	WUQWAWJOPWBNQZ-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
CC(C)C[C@H](N)CNc1ncccc1B(O)O	2217178976	DERHGNKAAYUILT-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
OB(O)c1ccnc(OC2CC3(COC3)C2)c1	2217191398	CMJVTAPVOUABHH-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
N[C@H](CNc1cc(B(O)O)ccn1)C1CCC1	2217198760	FYZWYVVAGGTFSJ-SNVBAGLBSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3COC[C@@H]3C2)c1	2223630027	XRGRAGFDYSDEAZ-UWVGGRQHSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@@H]3CC[C@@H]32)nc1	2223641729	CTXKPCCESXKTNF-HBNTYKKESA-N	247.107	-0.686	50	10	BBGE	
Nc1cccc(COc2cc(B(O)O)ccn2)c1	2223665273	FCWKSNMCGHPWIC-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
CC1(C)[C@H](N)C[C@H]1CNc1ncccc1B(O)O	2223672122	DFTAESWYLJHESV-WCBMZHEXSA-N	249.123	-0.453	50	10	BBGE	
C[C@H]1SCC[C@@H]1NC(=O)C#CB(O)O	2241476708	XZVRPJJIQUGJSF-RQJHMYQMSA-N	213.067	-0.988	50	10	BBGE	
CC1(CNC(=O)C2CC(B(O)O)C2)OCCO1	2241481053	QQFKDNYUVIHRJY-UHFFFAOYSA-N	243.068	-0.881	50	10	BBGE	
O=C(CCCl)N1CC(O)(CCO)C1	2241811342	OHGLYIUGBNAZRG-UHFFFAOYSA-N	207.657	-0.429	50	10	BBGE	
CC1(C)C[C@@H](SCC(=O)NN)CN1	2242249289	VMVWWZINMJHGTL-ZCFIWIBFSA-N	203.311	-0.150	50	10	BBGE	
CCNCCSC[C@H]1C[C@@H]1C(=O)NN	2242282891	PKJWNVYIGWLSPR-SFYZADRCSA-N	217.338	-0.045	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1coc(B(O)O)c1	2243347129	HSABZCUDYGSPSP-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
CCSCCNC(=O)c1ccc(B(O)O)o1	2243350248	YBMABEDOZBJJPJ-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C#CC1CN(C(=O)c2csc(B(O)O)c2)C1	2243356395	HDELZZKCRUHVRG-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C=C[C@H]1CC2	2243362270	OSUCZQCDIVYLJB-LPEHRKFASA-N	219.049	-0.527	50	10	BBGE	
O=C(c1sccc1B(O)O)N1C[C@H]2C[C@H]2C1	2243375513	USZQWWWYYKIFIF-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
CCON(C)C(=O)c1cc(B(O)O)sc1C	2243385230	FJUGTRNRHIQDLH-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
CC[C@H](N)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243391617	MNTTUDVYWIFKIU-XHNCKOQMSA-N	228.101	-0.565	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1occc1B(O)O	2243411492	UVZZXEFDQHNQLB-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
CC(C)OCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243420102	MQJJJPPDZSROHO-KYZUINATSA-N	229.085	-0.219	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2243420170	NRAKHPHHGCSUBL-JBDRJPRFSA-N	227.069	-0.731	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCN1	2244517602	ZUMWLOWYXAYKNL-JGVFFNPUSA-N	226.085	-0.750	50	10	BBGE	
NC(CO)(CO)c1cn(C[C@@H]2C[C@H]2Cl)nn1	2245491203	XJQAPNAHJUIYQQ-NKWVEPMBSA-N	246.698	-0.956	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)ccc1OC	2247752134	JGGGQUKEMACAEV-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
CC1(C)CN(C(=O)c2cncc(B(O)O)c2)C1	2247772532	WFBWXTHMYCKHHB-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
Cc1cc(C(=O)NCC#N)cc(C)c1B(O)O	2247786612	DBQRBDFQTNNWGM-UHFFFAOYSA-N	232.048	-0.763	50	10	BBGE	
O=C(NC[C@H]1CCCOC1)[C@H]1C[C@@H](B(O)O)C1	2247788060	YSCKHSFRQJPIII-BBBLOLIVSA-N	241.096	-0.218	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2247797666	LVVLUWNILUYVGS-AMUVOQDHSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCn2cccc2C1	2247800672	RISVIGFBPIFZKB-VHSXEESVSA-N	234.064	-0.307	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1c1ccco1	2247846890	OBEBLYDJPXKMSJ-SECBINFHSA-N	233.032	-0.042	50	10	BBGE	
CN(C[C@@H]1CCCN1)C(=O)C1CC(B(O)O)C1	2247854672	GZNLZFIBVKDMGD-RTBKNWGFSA-N	240.112	-0.550	50	10	BBGE	
CC1(C)OCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894315	FOBMMFULBZJJAP-YIZRAAEISA-N	241.096	-0.077	50	10	BBGE	
Nc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)cc1	2247900657	YSCUETMIPAANRC-VHSXEESVSA-N	234.064	-0.252	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2248415211	WVHKNWLGACXVFJ-SECBINFHSA-N	231.060	-0.433	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1CF)c1cc(B(O)O)co1	2249410496	YUPKXTYIHQDUAT-RNFRBKRXSA-N	241.027	-0.705	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CO[C@H]1C2	2249634720	FXEZHPJVQSLLCK-JEZHCXPESA-N	234.064	-0.649	50	10	BBGE	
C[C@@H]1OC2(C(=O)NCCC#CB(O)O)CC1C2	2249999224	SVENQPXUBCXALH-SILCLGDVSA-N	237.064	-0.924	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2251726383	JJYXNGUGXGZASE-UTLUCORTSA-N	240.112	-0.693	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@@H]3CC[C@H]3C2)n1	2254598507	ZLHHMCHMIZPGIK-IUCAKERBSA-N	248.091	-0.384	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(B(O)O)o1	2255466066	SOIOOAXAPUOJJF-CIUDSAMLSA-N	247.059	-0.346	50	10	BBGE	
C/C=C/CNC(=O)c1cc(OC)ccc1B(O)O	2255505203	KNNTUYIKRCQZLQ-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccc2c(c1)CCC2	2255671147	NHPJYMIIXHWBLE-UHFFFAOYSA-N	243.071	-0.193	50	10	BBGE	
CCN(CCC#N)C(=O)c1ncccc1B(O)O	2255716045	NUHUOGSHSNJHGG-UHFFFAOYSA-N	247.063	-0.863	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@@H](C)C#N	2255736387	MJDHHQCTDVONSL-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2C[C@@H]2[C@@H]1CO	2298166249	CYIIWQDMZBZYBP-NMUGVGKYSA-N	239.319	-0.685	50	10	BBGE	
CC1(C)[C@H]2CO[C@]1(Cn1ccc(B(O)O)n1)C2	2298693242	LVLOUJPTEYBXCC-KCJUWKMLSA-N	236.080	-0.622	50	10	BBGE	
N[C@@H]1CC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2301419506	PYORNPXOUGOWFG-MNOVXSKESA-N	234.064	-0.920	50	10	BBGE	
COCCN(CCOC)CC(B(O)O)=C(C)C	2301956171	PPFWGURWSNSFQK-UHFFFAOYSA-N	245.128	-0.070	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@](F)(CO)C1	2302050781	UGNVFEGSXDEKPN-KOLCDFICSA-N	247.314	-0.059	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CC[C@@H]1C1CC1	2303184419	ZIADFVMDQJEFOG-WDEREUQCSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)c(F)cn2)CO1	2303836368	LOJUYIORLXKBCH-RNFRBKRXSA-N	240.043	-0.510	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)[C@H]1CCNC1	2317168731	XYSHAFUPJWQDMW-NSHDSACASA-N	245.091	-0.964	50	10	BBGE	
O=C(c1ccn(C2CC2)n1)N1CC[C@H](B(O)O)C1	2319672772	VLVXOALYBPOULE-QMMMGPOBSA-N	249.079	-0.093	50	10	BBGE	
C[C@H](CCl)C(=O)NCCNS(C)(=O)=O	54712693	PJLSOTNAAIHQDK-ZCFIWIBFSA-N	242.728	-0.473	50	10	BBGE	
NNC(=O)CCOC[C@H]1CCCCO1	82463774	APPQAIMKMVIEKC-MRVPVSSYSA-N	202.254	-0.048	50	10	BBGE	
NNC(=O)CCN1CC[C@H](N2CCCC2)C1	82469103	CWUHLATXKGKVKK-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=O)cs1	83576413	VODIIJNFBDWTFH-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
O=C1CN(C(=O)NC(=O)CCl)CCCN1	83748180	GUBGRMXQQLMZTE-UHFFFAOYSA-N	233.655	-0.717	50	10	BBGE	
CC(C)(CN1CCC[C@H](O)C1)C(=O)NN	86597939	JUVUCKNGOYKEOA-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CCNC(=O)CN(CC)CC(C)(C)C(=O)NN	93728081	VFMXQGRNUCSQOD-UHFFFAOYSA-N	244.339	-0.540	50	10	BBGE	
COCCN(CCCC(=O)NN)[C@@H](C)COC	104111989	NPEBCLBGSIIBPM-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CN1CCN(Cc2cc(C(=O)NN)no2)CC1	110569263	CGNXUHVEMILRLF-UHFFFAOYSA-N	239.279	-0.975	50	10	BBGE	
NNC(=O)CCCCn1ccn2nccc2c1=O	130761730	JHYYRSYGOMIPED-UHFFFAOYSA-N	249.274	-0.344	50	10	BBGE	
CCNC(=O)CCNC(=O)NC(=O)[C@H](C)Cl	163530252	ULMFUHKSTMMRGW-LURJTMIESA-N	249.698	-0.034	50	10	BBGE	
O=C(O)[C@@H]1Cc2nc[nH]c2CN1C(=O)CCl	170313838	GBCNPUXUAXHJFK-ZETCQYMHSA-N	243.650	-0.014	50	10	BBGE	
CC(=O)OC[C@H](C(=O)O)N(N=O)C(C)=O	196478055	LXVIMCKBSAPCAI-ZCFIWIBFSA-N	218.165	-0.467	50	10	BBGE	
CO[C@@H]1N=CC=C[C@@]1(Br)B(O)O	199617556	FRBXGPUPVOOSFB-WDSKDSINSA-N	233.858	-0.255	50	10	BBGE	
COC[C@H]1CCCN1Cc1ccccc1B(O)O	205351605	VGUADOPWZNJDCI-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
COC(=O)[C@@H](NC(=O)CCl)[C@@H](C)O	210538603	UDCOYZWGBWAHDV-XINAWCOVSA-N	209.629	-0.736	50	10	BBGE	
CC[C@@H](C)NC(=O)/C(C#N)=C\NCCO	216645443	RJEQYDOEVXMWBB-XZZQCUQZSA-N	211.265	-0.110	50	10	BBGE	
CO[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1OC	234868025	QSZCIEVPGRDWOE-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
OCC(CO)(CO)NC/C=C/CCl	236495861	HUCQDZKWPFWTDF-OWOJBTEDSA-N	209.673	-0.913	50	10	BBGE	
OB(O)c1cncc(-c2cncs2)c1	238657457	AHCHQYNJPRKVLU-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)CO)C[C@H]2CC[C@H]1O2	248715811	KGXHGVOPCUNZNX-XSSZXYGBSA-N	228.248	-0.916	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCCOC1)C(=O)NN	251109442	ORNJSUVBUFJJMT-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCCOC1)C(=O)NN	251109446	ORNJSUVBUFJJMT-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](O)CN(C)[C@H](C)CCC(=O)NN	251148953	ADUCQSGBJUJKHR-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
C[C@@H](C#N)Cc1ccc2c(c1B(O)O)OCO2	260407911	SGABHGDLRUUALC-SSDOTTSWSA-N	233.032	-0.203	50	10	BBGE	
COC[C@]1(C)CCN(C[C@@H](C)C(=O)NN)C1	381374639	NPYLAZYTICPTHS-MWLCHTKSSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2CCN(C)C[C@@H]2C1	381687198	YXQLHSFRHJIFSZ-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
O=C(CCBr)NCc1nc(O)n[nH]1	392361257	WFCWPZVXLWXNTJ-UHFFFAOYSA-N	249.068	-0.089	50	10	BBGE	
COc1cccc(B(O)O)c1CCC(=O)O	396034495	UTJQBKDRPXBZHF-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1C[C@H]2C[C@@H]2C1	405010625	PPIZRDXYSJWBBI-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)c2cc[nH]n2)c1	405060769	POSQADAUQJNORR-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1B(O)O	584881046	LZPJAISHJGYIRT-UHFFFAOYSA-N	238.918	-0.973	50	10	BBGE	
COC(=O)[C@H]1CN[C@@H](CBr)CN1	689687902	KWEAYVZECPUQHL-NTSWFWBYSA-N	237.097	-0.516	50	10	BBGE	
C[C@H](CN1CCSC[C@H]1CCO)C(=O)NN	689851302	QXQUDVTUQQLFPD-RKDXNWHRSA-N	247.364	-0.588	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C[C@H](C)O)C(C)C	692175774	QHKFHHVUQWUWQZ-IUCAKERBSA-N	233.312	-0.918	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)OCCl	692820541	QXTZOPKFIHAIJK-ZCFIWIBFSA-N	236.655	-0.234	50	10	BBGE	
COC[C@H](CCCl)NC(=O)c1nnn(C)n1	697224140	UHKGBAMVSGZJMT-LURJTMIESA-N	247.686	-0.416	50	10	BBGE	
CC[C@H](O[C@H]1COC[C@@H]1C)C(=O)NN	703542195	DLJAUKSZGWEHJK-FXQIFTODSA-N	202.254	-0.194	50	10	BBGE	
C[C@@H]1CN(C)CCN([C@H](C)C(=O)NN)C1	707565099	QTRKOYRGLQWXEM-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CCC[C@@H]1O	708051594	QLCPQYFRYYPDFP-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)[C@@H](CO)C1	725674150	YCGPSXFTKLQSRH-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
CC[C@@H](NNC(=O)c1cn(C)nn1)C(=O)OC	849321344	CHEGGMYCPWDUMQ-ZCFIWIBFSA-N	241.251	-0.999	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)C1CSC1	868550672	LIXDNTRSQYVDQV-SSDOTTSWSA-N	230.289	-0.324	50	10	BBGE	
O=C1CC(C(=O)NNC(=O)Cc2ccncc2)C1	1148936814	HTDBMNGXHJTVOB-UHFFFAOYSA-N	247.254	-0.249	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)[C@@H](O)C1CCC1	1261266864	UMWWDUPDJOXLEB-BDAKNGLRSA-N	242.275	-0.526	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)COCCOC	1454550083	VRUKNYDOWKCTCP-PLNGDYQASA-N	242.275	-0.071	50	10	BBGE	
Cc1onc(CO)c1C(=O)NN(C)C(N)=O	1545888027	WKGVCKPJMXMGRD-UHFFFAOYSA-N	228.208	-0.869	50	10	BBGE	
O=C(NNc1cccnn1)c1c[nH]nc1[N+](=O)[O-]	1597260363	HUHCOTKYHHWDHZ-UHFFFAOYSA-N	249.190	-0.135	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)CC1CC1	1625073415	KLNMMKOQJKARLE-UHFFFAOYSA-N	213.237	-0.801	50	10	BBGE	
CN(CCO)C(=O)CI	1866321544	YQDBIBULXKURMO-UHFFFAOYSA-N	243.044	-0.128	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CNOC1	1883647972	SWQUFIUNDWLSMB-INIHDHCDSA-N	204.613	-0.672	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCNC[C@H]1CO	1893453131	KVMXIAWCTVKLKI-XLPZGREQSA-N	218.684	-0.594	50	10	BBGE	
O=C(NCCC1(O)CNC1)[C@@H]1C[C@H]1Cl	1893460926	KKDZCAWENDPTRE-RNFRBKRXSA-N	218.684	-0.546	50	10	BBGE	
O=C(NCCc1nn[nH]n1)[C@H]1C[C@@H]1Cl	1893469634	KZJITURGICZTAG-WHFBIAKZSA-N	215.644	-0.514	50	10	BBGE	
COC[C@H](O)CNC(=O)/C=C/C(=O)Cl	1893498085	OZFMYHHZHJLKHY-YRFDSLTASA-N	221.640	-0.569	50	10	BBGE	
C[C@@H](C#N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901348360	HMUGWYVMLXBMPR-ZETCQYMHSA-N	245.304	-0.009	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)CC[S@@](C)=O	1901757420	QUVZSTJANFHTNV-XXFAHNHDSA-N	249.380	-0.155	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1902403079	IMIZZKWAMRESFF-QMMMGPOBSA-N	218.021	-0.724	50	10	BBGE	
COCCCCOCc1nc(B(O)O)cs1	1902654259	SNXSQOAYIHASOO-UHFFFAOYSA-N	245.109	-0.234	50	10	BBGE	
Cc1nc(C)n(Cc2nc(B(O)O)cs2)n1	1902657452	XKEBSCDJWXNVRH-UHFFFAOYSA-N	238.081	-0.920	50	10	BBGE	
CN(CCCF)c1cc(B(O)O)c(F)cn1	1903005055	BLBJXQSFHIAJCT-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
C[C@@H](N)[C@@H](C)Oc1cc(B(O)O)c(F)cn1	1903023088	INISFGMFYQEMLJ-PHDIDXHHSA-N	228.032	-0.985	50	10	BBGE	
N#CC1=CCN([C@@](CN)(CF)C(=O)O)CC1	1904112109	OBOCNTVNLZNVDW-SNVBAGLBSA-N	227.239	-0.106	50	10	BBGE	
COC(=O)NC1CN(C(=O)/C=C/C(=O)Cl)C1	1904731576	FROKMBDXUXMGHR-NSCUHMNNSA-N	246.650	-0.125	50	10	BBGE	
OB(O)c1ccc(OCC2CC(F)C2)nc1	1904935097	FOIONFHCPKBCFK-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CN(C)CC[C@@H]21)C(=O)NN	1906983027	ORCCUVQWBQOKMH-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
CC(C)[C@@H](C)C(=O)Nc1ncccc1B(O)O	1913676361	JQMSERIIMSPNQV-MRVPVSSYSA-N	236.080	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1CC(O)C1	1914572743	FFVXLSVHFVYOTE-HACHORDNSA-N	215.297	-0.544	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@@H]1CCNC1=O	1916837592	GFVVBMVNXQBISE-RXMQYKEDSA-N	233.655	-0.718	50	10	BBGE	
CCN(C[C@H](C)O)CC(F)(F)C(=O)NN	1927816096	HRZCOPQALATMIT-LURJTMIESA-N	225.239	-0.686	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1NC(=O)C(=O)NN	1927830531	XKXPEGOWOOJDTI-WCTZXXKLSA-N	211.265	-0.473	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H]2C1=O	1927913232	HBWRXOCMZHMNCL-WCTZXXKLSA-N	209.249	-0.909	50	10	BBGE	
CON(C[C@@H]1C[C@@H]1C(=O)NN)C(C)C	1928662760	NOPGYODSOYIYAL-YUMQZZPRSA-N	201.270	-0.116	50	10	BBGE	
O=C(CCC(F)(F)F)NNCCO	1929834261	YNPDSZIADFBCIK-UHFFFAOYSA-N	200.160	-0.058	50	10	BBGE	
O=S1(=O)CC[C@H](CNC[C@@H](Cl)CF)N1	1930565550	HVVQPIWPLVFWLH-NKWVEPMBSA-N	244.719	-0.155	50	10	BBGE	
COCCCOCC1(C(=O)NN)CC1	1931266446	GBXVFDPUEVTFOX-UHFFFAOYSA-N	202.254	-0.190	50	10	BBGE	
CO[C@@H]1CNCC[C@@H]1C(=O)NN(C)C	1932347242	JIUPXCKYURRPCD-JGVFFNPUSA-N	201.270	-0.796	50	10	BBGE	
Cn1[nH]cnc1=NC[C@H]1COC[C@@H]1Cl	1933393995	BWQMABSPBIVMQQ-BQBZGAKWSA-N	216.672	-0.097	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](CCO)C1	1936095530	XYFVWQIEWVPGEG-IVZWLZJFSA-N	227.308	-0.683	50	10	BBGE	
C[C@@H](N(C)CCOCC(=O)NN)C(C)(C)O	1936531400	TVNILMPTAZHMHZ-MRVPVSSYSA-N	233.312	-0.916	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COC[C@@H]1COCCO1	1939103586	YBLSTYMILVWXFP-HRDYMLBCSA-N	230.264	-0.956	50	10	BBGE	
C[C@@]1(O)CCCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941094250	LCNVPAQPNOZRMC-HOSYDEDBSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)CCN1CCOC[C@@H]1[C@@H]1CCOC1	1941373142	ODHJDWNJPAOXKL-NXEZZACHSA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C1(CN2CC(n3ccnc3)C2)CC1	1945882234	DNXJDAVFRQCVRP-UHFFFAOYSA-N	235.291	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949277594	QRNLXBSAORKTEJ-FBDQPXRJSA-N	239.319	-0.400	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NNC(N)=S)CO1	1955380083	JUFWVAUPXLFNTI-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
Cn1[nH]nnc1=NCCOCCCCl	1955498829	IEXACGIFHITSSY-UHFFFAOYSA-N	219.676	-0.311	50	10	BBGE	
NC(=O)C1CCN(C[C@@H](O)CCl)CC1	1956255823	DUTVTUJLNSFQEL-QMMMGPOBSA-N	220.700	-0.217	50	10	BBGE	
C[C@@H]1CCN(C[C@H](O)CCl)[C@H]1C(N)=O	1956256445	OERDYNLXRZRNAU-BWZBUEFSSA-N	220.700	-0.218	50	10	BBGE	
CC(C)N1CCN(C(=O)NN)CC1=O	1956801305	COIYZJIZRUKLKA-UHFFFAOYSA-N	200.242	-0.878	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@H]1CCC[C@H]1F	1957419377	ZHNUTXCVCGDHPZ-RITPCOANSA-N	203.217	-0.675	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]1C(F)F	1961505261	GUHGATQJCHOHHT-RRKCRQDMSA-N	219.235	-0.048	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1C[C@H]2CC[C@H]1O2	1980046509	NGXQXOUEMOFHBP-SGIHWFKDSA-N	227.308	-0.136	50	10	BBGE	
CO[C@H]1CC(C(=O)NNCCO)C[C@@H]1OC	1982348983	BEOLEBFUFVRBQT-IUCAKERBSA-N	232.280	-0.961	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ncn(C)n1	1984080058	MFROWTUKAIGHLD-SSDOTTSWSA-N	226.284	-0.985	50	10	BBGE	
CO[C@H](C)COc1ncc(B(O)O)cc1Cl	1986052378	VMJVIQJUGSWABF-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
CC1(O)CC2(CN(CCCC(=O)NN)C2)C1	1986121877	UWXJKJIIWCZGKE-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)OCCl)C[C@@H]2N1	1986842488	WKMDJAOBQSDYAH-BQBZGAKWSA-N	248.666	-0.091	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCNC(=O)C1	1987023687	YMJWLOPUJZXUMF-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(C(=O)C=CC(=O)Cl)C1	1991650860	PLUPLSWZZWIILO-YUMQZZPRSA-N	247.678	-0.084	50	10	BBGE	
NC[C@@H]1C[C@H](NC(=O)C=CC(=O)Cl)CCO1	1991662915	PHVWMOBVTPUTQM-SFYZADRCSA-N	246.694	-0.070	50	10	BBGE	
NNC(=O)CCCCN1CC(N2CC(F)C2)C1	1996926118	JXLIZMDZDLPVBD-UHFFFAOYSA-N	244.314	-0.516	50	10	BBGE	
CC[C@]1(CO)COCCN1CCCC(=O)NN	2003264924	QOUDETABEOOMMM-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
CC(C)N1CCN([C@@H](C)CC(=O)NN)CC1=O	2004023219	HKDKKJYHZKDDJA-VIFPVBQESA-N	242.323	-0.693	50	10	BBGE	
NNC(=O)C(=O)N1CCC(n2ccnc2)CC1	2004038608	CDGFRAYIJJUOKM-UHFFFAOYSA-N	237.263	-0.964	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CCC[C@@H]32)c1B(O)O	2004975027	SVCRSAIHCYZIAC-BDAKNGLRSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncnc(N2CC3CC2(C)C3)c1B(O)O	2004975353	XUKJXISVLISLCX-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncnc(N2C[C@H]3C[C@]3(C)C2)c1B(O)O	2004976937	ULDRCJNFHOCNDG-LDYMZIIASA-N	233.080	-0.689	50	10	BBGE	
C[C@H]1COCC(=O)N1CCC(C)(C)C(=O)NN	2005874579	YQVQZNUHOJTDGB-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1C[C@@H](C)C(=O)NN	2010572802	YWDXYNBDEWKSFD-RKDXNWHRSA-N	242.323	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1CC(n2ccnc2)C1	2011112004	KPQNVFQMQBLRSO-XNWIYYODSA-N	237.307	-0.103	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@H]32)cc1	2013467582	FLSSOGAQPXKDKF-CMPLNLGQSA-N	233.076	-0.803	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCn1cccc1	2019219103	IYXUUCWLZCTNGM-UHFFFAOYSA-N	238.291	-0.413	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2OCC[C@H]2C1	2019220115	UXBSQFKYHDCILK-VHSXEESVSA-N	241.291	-0.736	50	10	BBGE	
O=C(NCC=CB(O)O)C1C[C@@H]2[C@@H](C1)C2(F)F	2020056544	LYZMFDBDQVNJJK-HTQZYQBOSA-N	245.034	-0.038	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@H]2CCCCC[C@H]12	2021108498	BPZAXLMGIAACGQ-UWVGGRQHSA-N	235.092	-0.056	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC1(F)CC1	2025753766	HQUCDISNYNTMJH-UHFFFAOYSA-N	236.015	-0.992	50	10	BBGE	
Cc1ncnc(Cn2cc(B(O)O)cn2)c1C	2025899118	YBWAKPDUKIQSSD-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccn2nccc2c1=O	2028055014	ZRHFMNVDMBHTOI-HTQZYQBOSA-N	247.258	-0.878	50	10	BBGE	
CN(C)C[C@@H]1CCN1Cc1ccc(B(O)O)cc1	2042727365	WLFWVEBQSTVTNZ-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
O=C([C@@H]1C[C@@H]1F)N1CCc2cccc(B(O)O)c21	2055629654	BFLGYBMRTLTTHG-SCZZXKLOSA-N	249.050	-0.387	50	10	BBGE	
COc1cc(C#N)c(B(O)O)c(C=O)c1	2060189608	LPTDJLSODCCBAI-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
Cc1ncc(OC[C@@H]2[C@H]3COC[C@H]32)cc1B(O)O	2068626517	HDLXXAVCWLPSSZ-URLYPYJESA-N	249.075	-0.659	50	10	BBGE	
COC[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1	2069652268	ZHSRZDDNHNVHOD-KCJUWKMLSA-N	249.075	-0.413	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)[C@@H](C)CO1	2209553509	WOJSJIVOOUGDIY-FXQIFTODSA-N	201.270	-0.526	50	10	BBGE	
NNC(=O)C(=O)NCCCCC(F)F	2209989560	UFLYNCWVHBPPRH-UHFFFAOYSA-N	209.196	-0.472	50	10	BBGE	
CCN1CC[C@@H](O[C@@H](C)C(=O)NN)C1	2209994870	FMEWMXGAPYEQNW-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@H](C)N)cc1B(O)O	2212605501	FZJIHVURWRMJQM-JGVFFNPUSA-N	223.085	-0.783	50	10	BBGE	
C#C[C@H](Nc1ccc(B(O)O)cn1)C1CC1	2212606298	RQLJPJQFCCZFFK-JTQLQIEISA-N	216.049	-0.415	50	10	BBGE	
C#C[C@@H]1CCN(c2ncccc2B(O)O)C1	2212615525	QITHFNFUUYIOPK-SECBINFHSA-N	216.049	-0.779	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C[C@@H](F)C1)C(=O)NN	2213884880	VQBVOWMMWOJVLT-BDAKNGLRSA-N	247.314	-0.203	50	10	BBGE	
N#Cc1ncccc1OCC(F)(F)C(=O)NN	2214887242	UFXRWPLGNZWRBR-UHFFFAOYSA-N	242.185	-0.043	50	10	BBGE	
CN1CC[C@@H](COc2ncccc2B(O)O)C1	2215660834	RULCPFAXYRDNGY-SECBINFHSA-N	236.080	-0.908	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2[C@H](O)C[C@H]2C1	2215778058	XABFNPXDUVVNGN-RCZSTQMZSA-N	239.319	-0.685	50	10	BBGE	
C[C@]1(COC[C@@H]2C[C@H]2C(=O)NN)COCCO1	2216069720	ACEMIOVDRNBFQG-IQJOONFLSA-N	244.291	-0.566	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CCO[C@H]3C2)CCC1	2216527932	JGBRMVYNTMSZPD-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
NC[C@]1(F)C[C@H](Nc2cc(B(O)O)ccn2)C1	2217175816	NPVVHKCHXCQTJB-CZMCAQCFSA-N	239.059	-0.997	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](C3CC3)C2)c1	2217179205	HXFOXKVCSSUKDU-JTQLQIEISA-N	232.092	-0.002	50	10	BBGE	
CC(C)(O)CCNc1nccc(B(O)O)c1F	2217184646	QQLPQVHHZCEKIL-UHFFFAOYSA-N	242.059	-0.527	50	10	BBGE	
Cc1cc(Oc2cc(B(O)O)c(C)cn2)n[nH]1	2217184788	WGXUSZSYLVODCP-UHFFFAOYSA-N	233.036	-0.106	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCNC1	2217200873	VRXGUKWJMKOKPV-SECBINFHSA-N	235.096	-0.827	50	10	BBGE	
CN(c1cnn(C)c1)c1cc(B(O)O)ccn1	2217201185	OQHBNWIXCWMFSO-UHFFFAOYSA-N	232.052	-0.737	50	10	BBGE	
Cc1nc(C)c(CNc2cc(B(O)O)ccn2)o1	2223625693	FHKJSMJWPKEHQL-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1Nc1cc(B(O)O)ccn1	2223637081	NWHBVTRLJMNEBG-ONGXEEELSA-N	249.123	-0.487	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cncn1C	2223637677	RFVOEIUVNYQRLX-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H]2CCNC2)cc1B(O)O	2223642375	IERUDMGDOJBTDW-VHSXEESVSA-N	249.123	-0.520	50	10	BBGE	
N[C@@H]1CN(c2ccc(B(O)O)cn2)C2(CCC2)C1	2223646109	GIYMJXGVGXCYEK-JTQLQIEISA-N	247.107	-0.779	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CO[C@@H](C3CC3)C2)c1	2223665903	IUCJJXHCIBVIEB-WDEREUQCSA-N	248.091	-0.259	50	10	BBGE	
CCc1ocnc1CNc1cc(B(O)O)ccn1	2223670397	XIHABXMSSOZTMF-UHFFFAOYSA-N	247.063	-0.076	50	10	BBGE	
CCON(C)C(=O)C1(B(O)O)CCC1	2241471432	JHCIHOVPTWOHQS-UHFFFAOYSA-N	201.031	-0.207	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)cs1	2241481805	VYUQUUJEPZHSKK-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]1[C@@H](O)CO	2241829177	YVLYAPMCAPLIAX-RNJXMRFFSA-N	204.657	-0.455	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@H]2C[C@H]2Cl)C[C@H]1O	2241857172	HKWRSWMBVFYEPO-YMVPXFTJSA-N	219.668	-0.122	50	10	BBGE	
CO[C@@H](CCl)CNC(=O)c1cnn[nH]1	2242440516	NZAOBSZPXNGJRX-YFKPBYRVSA-N	218.644	-0.212	50	10	BBGE	
CC[C@H](C)Oc1nc(OC)ccc1B(O)O	2243086949	VMHPUWGVNZLINP-ZETCQYMHSA-N	225.053	-0.053	50	10	BBGE	
C#CC[C@@H](CNC(=O)C#CB(O)O)C1CC1	2243362742	VZSJKLKVSUZOPS-JTQLQIEISA-N	219.049	-0.833	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)C1(B(O)O)CC1	2243363102	BCQSSEONCYTRIU-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
Cc1sc(C(=O)NCCF)c(B(O)O)c1C	2243376148	FLDYZRVEGIBCQH-UHFFFAOYSA-N	245.084	-0.256	50	10	BBGE	
C=CCCCNC(=O)c1csnc1B(O)O	2243378491	UMJCPNLNTIMLDZ-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
O=C(NCc1csc(O)n1)[C@@H]1C[C@@H]1B(O)O	2243395650	AEASAVORLQFUBB-RITPCOANSA-N	242.065	-0.672	50	10	BBGE	
C[C@H](O)C[C@H](C)NC(=O)C1CC(B(O)O)C1	2243396178	ISUKHMAJCVBWJC-MSIFESELSA-N	229.085	-0.485	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C(F)F)C1CCC1	2243398227	CAMVAYSXMKLLER-QMMMGPOBSA-N	231.007	-0.448	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cc(B(O)O)c[nH]1	2243401213	NYOHBIQUDNXNKE-ZCFIWIBFSA-N	228.032	-0.828	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243403773	CIOOKYDGKOMBKU-XSPKLOCKSA-N	227.069	-0.610	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C1CC(C)(C)C1	2243403898	FRHCGRGIYQPHQE-MRVPVSSYSA-N	223.081	-0.057	50	10	BBGE	
CC[C@@H]1COC[C@H]1NC(=O)C1(B(O)O)CC1	2243411460	UKIHDWJXIJXCGQ-HTQZYQBOSA-N	227.069	-0.465	50	10	BBGE	
C=C(C)CN(CC)S(=O)(=O)CC(=C)B(O)O	2243412843	UVWKZWOCOMNRRW-UHFFFAOYSA-N	247.125	-0.218	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccnnc1	2243419980	KCSATOXUAFNWLH-JGVFFNPUSA-N	221.025	-0.698	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243420252	PJTDAFSPYWLDPI-XGEHTFHBSA-N	227.069	-0.752	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243426128	FHSFQYRBLMMQRR-NRPADANISA-N	229.085	-0.483	50	10	BBGE	
C=CCC(=O)NCc1scc(C)c1B(O)O	2243663630	IFALDABDVAEHFI-UHFFFAOYSA-N	239.105	-0.071	50	10	BBGE	
CC(C)(F)C(=O)Nc1cc(B(O)O)ccn1	2243685279	QVSZVLXJKQWPTD-UHFFFAOYSA-N	226.016	-0.552	50	10	BBGE	
OB(O)c1cc(N2CCCCO2)ncc1Cl	2245913856	ZEBJJOOQXVLPIO-UHFFFAOYSA-N	242.471	-0.053	50	10	BBGE	
CC1(F)CC(NC(=O)c2coc(B(O)O)c2)C1	2247737917	LWBSFCQURGKORG-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)C1CCC1	2247740118	GILBKYXQVARKPT-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC[C@@H]1C1CC1	2247740286	ILUADAFVHPKQSG-MRVPVSSYSA-N	235.048	-0.416	50	10	BBGE	
O=C(C#CB(O)O)NCC1C[C@@H]2[C@@H](C1)C2(F)F	2247741144	VKEHBXPWQSRYMX-HTQZYQBOSA-N	243.018	-0.591	50	10	BBGE	
N[C@H](CNC(=O)C1(B(O)O)CCC1)C1CCC1	2247753332	FRVLQXKARYAICY-SECBINFHSA-N	240.112	-0.373	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)C(F)F)oc1B(O)O	2247789461	WQWDBINTRLBRBJ-RXMQYKEDSA-N	247.006	-0.349	50	10	BBGE	
CCC(CC)[C@H](O)CNC(=O)[C@H]1C[C@@H]1B(O)O	2247789994	DPXJMDRMZQKFLJ-LPEHRKFASA-N	243.112	-0.237	50	10	BBGE	
Cc1ocnc1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2247792001	PSZLKKAVXCEPJH-HTQZYQBOSA-N	238.052	-0.495	50	10	BBGE	
Cc1cnn(C)c1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797250	HPNCCTFVCKOSKW-SFYZADRCSA-N	237.068	-0.792	50	10	BBGE	
O=C(N[C@@H]1CCNC12CC2)C1CC(B(O)O)C1	2247804009	DSQSYINFNCLNAB-AMDVSUOASA-N	238.096	-0.750	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N1CCCC1	2247807907	SCEJJHDEHMDOGB-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
Cc1cnc(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)[nH]1	2247809516	PWBPYPHTPMWPSL-SFYZADRCSA-N	237.068	-0.461	50	10	BBGE	
N#CCCCCNC(=O)c1ccc(B(O)O)o1	2247847343	WBEZLYYSOYNXMO-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NOC(C)C	2247852255	QWCPFHJZRHMHFO-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C(=O)C2(B(O)O)CC2)CO1	2247853452	MOBRQHXVASCVOY-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCN2CC[C@H]1C2	2247892663	FNSVGRCBWCPIKS-RTBKNWGFSA-N	238.096	-0.844	50	10	BBGE	
CC[C@H](CCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894728	KFOLSMLMMZNPQT-OPRDCNLKSA-N	243.112	-0.093	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895933	WDEXKQMQQDBLRW-QXEWZRGKSA-N	240.112	-0.421	50	10	BBGE	
Cc1cncc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2247898328	CJCCMMCSPAZULP-VHSXEESVSA-N	234.064	-0.131	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C(=O)[C@H]2CCC[C@H]21	2247909487	JYIUOJDNDKUCCG-ABIFROTESA-N	237.064	-0.223	50	10	BBGE	
C#CC[C@@H]1CCCN1c1ncc(B(O)O)cn1	2249997494	VBRZRRBODFORME-SNVBAGLBSA-N	231.064	-0.852	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1CO)[C@H]1C[C@H]1B(O)O	2251442695	KNONLKBGVBFAKH-AXTSPUMRSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1ccoc1B(O)O	2255461081	BZVLZGOCXIIVSI-OYNCUSHFSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)c[nH]2)cn1	2255463154	FOSOHWLIKIXNHN-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
N#CCCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2255467848	SDNYGLLOYGLVCM-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
O=C(c1ccc(F)c(B(O)O)c1)N1C[C@H]2C[C@H]2C1	2255501591	CJOZKEDUICWNFH-DTORHVGOSA-N	249.050	-0.403	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)n[nH]1	2255550456	XOVPIEGFHAAPRO-BIIVOSGPSA-N	249.079	-0.992	50	10	BBGE	
Cc1[nH]nc2c1CN(C(=O)[C@H]1C[C@H]1B(O)O)CC2	2255567751	FEWCBWPJQDMUAG-IONNQARKSA-N	249.079	-0.534	50	10	BBGE	
N#CC[C@H]1CCN(C(=O)c2ccc(B(O)O)o2)C1	2255670364	XTAIOSUQQZPFMA-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1ncc[nH]1	2255736542	PHDUTFZDCGQMNQ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(NCc1cnn(C2CC2)c1)[C@@H]1C[C@H]1B(O)O	2255766921	AVUQFVKDMWGSEO-NXEZZACHSA-N	249.079	-0.303	50	10	BBGE	
Cc1cnc(OC[C@]23C[C@H](CO2)C3)c(B(O)O)c1	2260702619	YHZCJJMEWYEWMJ-WVSHTKLVSA-N	249.075	-0.372	50	10	BBGE	
COC(=O)C=Cc1ccc(B(O)O)cc1	2293777697	BIKAXBPCHWDATP-UHFFFAOYSA-N	206.006	-0.447	50	10	BBGE	
CN(CC[C@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368809	ZEDHASDSVSPPBJ-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CCN	2298369687	BIYCHONMOBOENV-JLIMGVALSA-N	240.112	-0.707	50	10	BBGE	
C[C@H]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369892	IIUCIBXMDMLSHJ-SJQPAMGKSA-N	241.096	-0.483	50	10	BBGE	
O=C(NC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@H]1C[C@H]1B(O)O	2298370204	RKMJTIIISHWKRJ-NZQBAGPRSA-N	235.092	-0.133	50	10	BBGE	
Cc1nc(B(O)O)c(C(=O)OC(C)(C)C)n1C	2300340882	DVYXCIKRMNVAKF-UHFFFAOYSA-N	240.068	-0.636	50	10	BBGE	
O=C(O)C1CC(C(=O)N2CC[C@H](B(O)O)C2)C1	2303113396	BOOVMOUMPRZRBG-RRQHEKLDSA-N	241.052	-0.828	50	10	BBGE	
O=C(CN1CC[C@H](B(O)O)C1)N1CCCCC1	2303122776	GKKLTVOLJIXZGH-JTQLQIEISA-N	240.112	-0.452	50	10	BBGE	
Cc1cc(O)nc(CN2CC[C@H](B(O)O)C2)n1	2303133157	JSDJTZNVSPDXPG-QMMMGPOBSA-N	237.068	-0.461	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)[C@@H]1CCN1	2303857359	DIQOEWSLSPRXKZ-MUWHJKNJSA-N	240.043	-0.970	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cc1C#N)C1CNC1	2317160399	CYBZWMUMRROHKC-MRVPVSSYSA-N	245.091	-0.742	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1ccncc1	1606386	JTIWULDPQWQTQL-LURJTMIESA-N	208.221	-0.810	50	10	BBGE	
O=C(O)CC[C@@H](NC(=O)CCl)C(=O)O	13537042	RYWXHONDNXJXKM-SCSAIBSYSA-N	223.612	-0.341	50	10	BBGE	
Cn1ccn(CCCCCC(=O)NN)c1=O	87667104	UFPKYBRJSHSBHH-UHFFFAOYSA-N	226.280	-0.263	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C[C@H](C)N1C	127932533	RAMSHAPZAMSJDN-UTLUCORTSA-N	228.340	-0.363	50	10	BBGE	
COC[C@H]1CCN(Cc2ccc(B(O)O)cc2)C1	203525274	XEEBWOJTAKOIOO-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
COc1cc(C(=O)N(C)C)ccc1B(O)O	205482842	HNHYSCGSSDWUFZ-UHFFFAOYSA-N	223.037	-0.923	50	10	BBGE	
COCCN/C=C(/C#N)C(=O)N1CCOCC1	217095502	QXJDPIXXLJTYRX-KTKRTIGZSA-N	239.275	-0.511	50	10	BBGE	
OC[C@H]1COCCN1C[C@@H](O)CCl	228068145	GUXJGEJBTMITHE-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
CC(=O)N[C@H]1CCN([C@@H](C)CCC(=O)NN)C1	228341733	UMAFRFWCBLRKDE-WPRPVWTQSA-N	242.323	-0.645	50	10	BBGE	
CCO[C@@H]1C[C@@H](NC(=O)C(=O)NN)C1(C)C	233776099	GMCZELDMTUHLTA-RNFRBKRXSA-N	229.280	-0.704	50	10	BBGE	
CCN(CC(=O)N(C)C)[C@H](C)[C@H](C)C(=O)NN	252606428	QNQHHVROZLRSTA-DTWKUNHWSA-N	244.339	-0.589	50	10	BBGE	
CC(=O)NN=C(CCC(=O)O)C(=O)O	254815795	FFLLBMHFECZUFF-UHFFFAOYSA-N	202.166	-0.572	50	10	BBGE	
CNNC(=O)[C@H](N)c1ccc2c(c1)CCO2	259085950	OQJBKLGWKPIRDG-SNVBAGLBSA-N	221.260	-0.128	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)[C@H]1CO	299918362	ZOJHLBXCHZWNTM-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CCN(C[C@H](C)C#N)[C@H](COC)C(=O)NN	299996896	MWHYLAAZFKQDTG-RKDXNWHRSA-N	228.296	-0.527	50	10	BBGE	
O=S1(=O)NCCCN1C[C@@H](O)CCl	306220987	SFZSLCGIFOZPJP-LURJTMIESA-N	228.701	-0.874	50	10	BBGE	
OB(O)c1cc(CN2C[C@H]3C[C@@H]3C2)ccc1F	306980943	PZIRLNDHYNLGNJ-NXEZZACHSA-N	235.067	-0.043	50	10	BBGE	
Cc1ccc(B(O)O)cc1Cn1ccnc1	307556048	YROVFKUZNUKJRB-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
NC(=O)N/N=C(\CO)C1(O)CCCCC1	308675102	PAKIKAAFXZHAOV-YRNVUSSQSA-N	215.253	-0.302	50	10	BBGE	
NNC(=O)CCN1CCC[C@@]12CCOC2	308994870	PGYDHQZRUZPQCG-JTQLQIEISA-N	213.281	-0.379	50	10	BBGE	
O=Cc1ccc(B(O)O)c2scc(CO)c12	396329655	AOIZTJXIRQVUFW-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1sc2cc(B(O)O)ccc2c1O	396338397	IPHWANSKYXSNHN-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c2c(O)csc12	396378625	HSAGJNLFRXXAFP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC[S@@](=O)Nc1cc(B(O)O)ccc1OC	404971928	OJUGMQMAGPRJMU-MRXNPFEDSA-N	243.093	-0.530	50	10	BBGE	
CCOCC(=O)Nc1cc(C)cc(B(O)O)c1	405024953	KEBXJLFAAOBAEZ-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
C[C@H](NC(N)=O)c1cccc(B(O)O)c1	405053754	ABNKHUTZGJIPDW-LURJTMIESA-N	208.026	-0.904	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(F)cc1B(O)O	405096756	ZPGCTFQDEGTNQK-UHFFFAOYSA-N	240.043	-0.011	50	10	BBGE	
Cc1noc(C)c1C[S@](=O)CC(=O)NN	526884158	GNVSGHJSGBDLCW-HNNXBMFYSA-N	231.277	-0.470	50	10	BBGE	
C[C@H](CO)[C@H](C)NCc1cccc(B(O)O)c1	585025537	WMORNFLMGIMYIT-ZJUUUORDSA-N	237.108	-0.527	50	10	BBGE	
NC(=S)NNC(=O)c1cnc(Cl)nc1	606287873	BBMMCOPOTNPPGM-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC1=O	685957556	VCLWAVCGJAWPMM-UHFFFAOYSA-N	209.152	-0.936	50	10	BBGE	
CN(C)C[C@@H]1CCN(CCCC(=O)NN)C1	689156948	AADOFKYTKPHOPM-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12COC[C@@H]1C2	689285210	DUEDJHDDTLFJMX-WCBMZHEXSA-N	213.281	-0.665	50	10	BBGE	
Cc1nn(CCCOC(C)C)c(C)c1B(O)O	689376288	YKLBJWABLLOPDD-UHFFFAOYSA-N	240.112	-0.005	50	10	BBGE	
CC(=O)NNC(=O)CN(C[C@@H](C)O)C(C)C	691407549	LHLUHIDBSZSQAZ-MRVPVSSYSA-N	231.296	-0.755	50	10	BBGE	
COC[C@H](C)n1nc(C)c(B(O)O)c1C	694272046	VIMPKNPGVDQKPO-LURJTMIESA-N	212.058	-0.613	50	10	BBGE	
CCN(CC(=O)NC)[C@H](CC(C)C)C(=O)NN	695061778	OPRDHGRYZYVDDP-SECBINFHSA-N	244.339	-0.541	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(N)=O	700860636	XYAXNPPNWPDESM-GJMOJQLCSA-N	228.296	-0.053	50	10	BBGE	
Cc1noc(C(C)C)c1C(=O)NCB(O)O	701938935	OTZACXQGABUMKZ-UHFFFAOYSA-N	226.041	-0.152	50	10	BBGE	
CCO[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	706445422	FLJPODWUGBEUKH-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COC[C@](C)(CCl)NCCn1cnnn1	712594966	USBSJGYGXOCLBK-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
O=C(COC1CC1)Nc1ccccc1B(O)O	716963673	LOBDUXGUBKQVIA-UHFFFAOYSA-N	235.048	-0.516	50	10	BBGE	
NNC(=O)c1nc(Cn2ccnc2)ns1	724347432	JRJPLGBGGITKIM-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
CN(Cc1nsc(C(=O)NN)n1)CC1CC1	724349195	KOZPBGMEMNWNBF-UHFFFAOYSA-N	241.320	-0.017	50	10	BBGE	
C/C=C\CNC(=O)NNC(=O)[C@@H]1COCCO1	858262000	GMSSGAMJFGBOLP-KZUAUGPASA-N	243.263	-0.692	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cn2c(n1)CCC2	1118284955	ROXKNIHJDAMELQ-UHFFFAOYSA-N	233.235	-0.296	50	10	BBGE	
CN(C)CC#CCNC(=O)NNc1cccnn1	1251707804	GSNWXUXTULOBIP-UHFFFAOYSA-N	248.290	-0.332	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@@H](C)CCl	1259028781	QZHMCCCHPMKVGD-LURJTMIESA-N	243.712	-0.046	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(C=O)n(C)c1	1333208954	PSXNGRVKIBIMLY-UHFFFAOYSA-N	238.247	-0.246	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2cccnn12	1650909755	NHNOWYVPAYXYRY-UHFFFAOYSA-N	234.215	-0.912	50	10	BBGE	
NS(=O)(=O)C[C@H]1CCN(C(=O)F)C1	1882786813	FNFIBYYNUFHVQK-YFKPBYRVSA-N	210.230	-0.314	50	10	BBGE	
C[C@@H](F)[C@H]1CCCN1C(=O)C(=O)NN	1885618294	GXVTUGSEEVHGIC-PHDIDXHHSA-N	203.217	-0.675	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@H](O)C1	1886138736	PSVNTVSFVCTIIV-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
O=S1(=O)C[C@H](O)[C@@H](NC[C@@H]2C[C@@H]2Cl)C1	1893098793	KUFZAXCYWOYPAI-XAMCCFCMSA-N	239.724	-0.639	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)[C@@H](F)C1	1893410631	LYWNVIIXOGRBKJ-WDSKDSINSA-N	221.615	-0.151	50	10	BBGE	
C[C@@]1(CO)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1895332427	MYDZRFOLXNIFEL-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCOCCO1	1895633050	VRDQUYODDPAYSJ-ZETCQYMHSA-N	203.242	-0.981	50	10	BBGE	
CC(C)(C)[C@@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	1900270999	WARWPUIUMIKWAR-PRJMDXOYSA-N	228.101	-0.661	50	10	BBGE	
COCCCOCCO[C@H](C)CC(=O)NN	1900892089	GERZZXMVTASXQK-SECBINFHSA-N	234.296	-0.175	50	10	BBGE	
CC(C)(C)NC(=O)CN1CC[C@H](B(O)O)C1	1902515019	AILUWDDWVXVQNQ-QMMMGPOBSA-N	228.101	-0.550	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](CO)C(C)(C)C1	1914011545	SSODWXUZCVUAGB-NXEZZACHSA-N	243.351	-0.049	50	10	BBGE	
CN(CCF)Cc1cccc(B(O)O)c1	1917268888	OGVNCJHYVLNRJS-UHFFFAOYSA-N	211.045	-0.232	50	10	BBGE	
Cn1nncc1C=NNC(=O)C(F)(F)F	1923408176	XCIMLAPNPMGGGK-UHFFFAOYSA-N	221.142	-0.173	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@H]1CCCSC1	1928374329	CJNLBOQQOILTAI-RQJHMYQMSA-N	231.321	-0.376	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)[C@H](F)C1	1929912798	LFWYTOHBYJNQBY-BWZBUEFSSA-N	219.260	-0.985	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CCC(=O)NN	1934981146	NPTJEOUIGUHQPX-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@H]2C1=O	1935431759	XWLNKCWRNIGENR-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
CC[C@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1	1935943028	ZGHJUKJQCMAFLF-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
CO[C@]1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088252	LPGKCGNTZSNUPD-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@@H](CO)C2CC2)[nH]1	1937854576	MFFBTHLZJIAJIF-LURJTMIESA-N	243.698	-0.372	50	10	BBGE	
CC(C)[C@@]1(O)CCN(CCCC(=O)NN)C1	1937982321	URQVLLFBCIZICJ-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
CN(C)CC1CN(CC2(C(=O)NN)CC2)C1	1938231902	FONZGVXPUZATPC-UHFFFAOYSA-N	226.324	-0.750	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[C@@H]1O	1938247372	RZYVRLUPQJUGLY-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(C(N)=O)CCN(C)CC1	1939286294	KJNKNNWVHLBIOF-ZETCQYMHSA-N	247.726	-0.320	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H](C)C1O	1941093347	PFNAEHQFCVVIJH-AATLWQCWSA-N	241.335	-0.439	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)[C@@H]1CCCCO1	1941482434	LLVQSHGZYRJAIV-QMMMGPOBSA-N	243.307	-0.312	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC12CCN(C)CC2	1941644967	XLQDPAFJYOQNOH-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
CN(C)[C@]1(C)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1944903260	VBYYRUOUNWSSHU-CKYFFXLPSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](O)(COC)C1	1946461518	XUXUULLNIZGVIE-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@@H](O)CCl	1954178022	OFWSZLAYVWQZCE-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1C[C@H]1CCl	1955090460	JEQJJDBKLKWZPO-NTSWFWBYSA-N	215.644	-0.583	50	10	BBGE	
CC[C@@H](O)CN(C)[C@H](CC)C(=O)NN	1955926269	ISBGNYAHQJTGTE-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1[C@H]2COC[C@H]21	1957279167	BNWGBFKZXQMOSO-KCQQBQQISA-N	218.640	-0.304	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC(O)(C(N)=O)C1	1957308373	VRXNKNRDIQYPKF-YFKPBYRVSA-N	220.656	-0.938	50	10	BBGE	
CC[C@@H](C)Oc1ncnc(C)c1B(O)O	1961694774	SVQAALNBVZLEDR-ZCFIWIBFSA-N	210.042	-0.358	50	10	BBGE	
Cc1ncn(C)c1C(=O)N1CC[C@H](B(O)O)C1	1964510211	JBJFKVXAAIZJKF-QMMMGPOBSA-N	237.068	-0.583	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CO[C@@H]2COC[C@@H]12	1975842844	PWBIPAQAHCKKJO-RRKCRQDMSA-N	248.666	-0.535	50	10	BBGE	
CN1CCCC[C@@H](N2CC(=O)OC(=O)C2)C1	1976024927	CIEBHHYDGQZUCD-SECBINFHSA-N	226.276	-0.144	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CN2CC[C@H]1C2	1976088531	YVJIVEIBBFOUQM-UWVGGRQHSA-N	226.324	-0.608	50	10	BBGE	
CC(C)(CN1CCO[C@H](CF)C1)C(=O)NN	1981247468	GOXZRELOVVATMZ-MRVPVSSYSA-N	233.287	-0.327	50	10	BBGE	
C[C@H]1[C@H](C)CCN1c1ncncc1B(O)O	1981413167	CDFLMGDVOYBGQC-SFYZADRCSA-N	221.069	-0.609	50	10	BBGE	
Cc1cnc(-n2cc(Cl)cn2)c(B(O)O)c1	1981465310	LOHPPHPJMXMSTA-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2C[C@@H]2C)c1B(O)O	1981531021	SPLVBBJZNVDSHE-XPUUQOCRSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](CN1CCC2(CC(O)C2)C1)C(=O)NN	1981994459	YFKOOFLLIYVPQU-FKTRJACZSA-N	227.308	-0.541	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)[C@H]1[C@H]2COC[C@H]21	1982231676	FHVVJPQAAOOCJO-YWIQKCBGSA-N	247.678	-0.225	50	10	BBGE	
O=c1c(B(O)O)cccn1COC1CCC1	1984100883	CQVSXXUGJFXOCN-UHFFFAOYSA-N	223.037	-0.945	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1COC2CC1C2	1986053748	XHEAWPUVSOYBAF-HORUIINNSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H]2CF)ns1	1986088062	ACYKODMULQGGCX-RXMQYKEDSA-N	245.283	-0.315	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2CCO[C@H]2C1	1986660445	NBBPBJZQSBOYNV-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
CN(C[C@H]1CNCCO1)C(=O)/C=C/C(=O)Cl	1991715133	QIJDIZFDHPXSPK-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
Cc1coc(C)c1C(=O)NCC#CB(O)O	1992152739	HWWSZSVKGBGGNC-UHFFFAOYSA-N	221.021	-0.358	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H]2C[C@@H]2C)n1	1993081366	PRMUZOKFFMUEKF-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NCC=CB(O)O)O1	1993507920	UMTKCWYWAWSAEH-BDAKNGLRSA-N	227.069	-0.372	50	10	BBGE	
CC[C@H](C(=O)NN)N1Cc2cncnc2C1	1994940837	ATUYHLBEWINPMF-SECBINFHSA-N	221.264	-0.439	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCN(C2CC2)CC1	2003817968	NLUFPKGFWKEHTM-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2CCCCN2C1=O	2004307770	WNEOVMZFOJJEBL-ZETCQYMHSA-N	240.263	-0.817	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1[C@@H]2CCC[C@@H]12	2004916040	HARPHPOLDCLARD-RKDXNWHRSA-N	233.080	-0.609	50	10	BBGE	
CCOCCN(CC)c1ccc(B(O)O)cn1	2004919187	VPNKEHJFUBMANL-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H](CCO)C1	2005061504	VNNQNPQFLKPRJU-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@H]2CC[C@@H]21	2015990494	OPQJVKUFSUDDPP-XXFSISAASA-N	239.319	-0.542	50	10	BBGE	
CO[C@@H]1C[C@H](CNC(=O)C(=O)NN)C12CCC2	2016044375	WYDLRERVENVFLY-HTQZYQBOSA-N	241.291	-0.702	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@]12C[C@H](CO1)C2	2018479790	RHQDZMOGJNJHJF-KKZNHRDASA-N	243.307	-0.898	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](O)C12CCC2	2023235612	CTNSYROGGHJWBC-RKDXNWHRSA-N	241.335	-0.010	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2026820915	QIHLPMCECIQEHM-CSEVWPSDSA-N	232.048	-0.810	50	10	BBGE	
CN(c1ccncc1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2052470131	ZXBMNSXRAIJENU-ZYUZMQFOSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2COC[C@H]2C1	2052490350	BMBXXIGREQXTMP-NXEZZACHSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]2C2CC2)c1B(O)O	2052557787	ATLYQENNPGNNRO-SNVBAGLBSA-N	247.107	-0.156	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]3CC[C@H]32)n1	2052625308	LAMOENYZBWFISW-VHSXEESVSA-N	247.107	-0.238	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1ncc[nH]1	2077800526	COIJTKMGHXUJJT-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H]1CCNC1	2210079090	ZUAVGKPYOBCAAO-ZETCQYMHSA-N	217.294	-0.751	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2C[C@H](O)[C@H](O)C[C@H]2C1	2211734582	RBMYURFOTQZUSG-QUARPLMYSA-N	249.738	-0.350	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H](O)[C@H]1CC2	2212096511	BLFYRLNZXRFXRG-KYXWUPHJSA-N	227.308	-0.257	50	10	BBGE	
C#C[C@@H](CCC)Oc1ncccc1B(O)O	2212605107	XVHQYZQYOORLNW-VIFPVBQESA-N	219.049	-0.058	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)c1cnn(C)c1	2215770198	ALARVHTWQGDRNR-WPRPVWTQSA-N	237.307	-0.128	50	10	BBGE	
CC(C)[C@H](Oc1ncccc1B(O)O)[C@H](C)N	2217171628	FHXFQXRBOCWEQY-WPRPVWTQSA-N	238.096	-0.488	50	10	BBGE	
CCO[C@H]1C[C@@H](Nc2ncc(B(O)O)cn2)C1	2217171703	DIXGVTUYJUVVIM-DTORHVGOSA-N	237.068	-0.864	50	10	BBGE	
Cc1cnc(OC[C@H]2C[C@H]2CN)cc1B(O)O	2217173826	QWXAMBWOOPNGIJ-DTWKUNHWSA-N	236.080	-0.957	50	10	BBGE	
CC[C@@H](C[C@H](C)O)Nc1ncccc1B(O)O	2217174378	YJLABWUTHSBKOG-IUCAKERBSA-N	238.096	-0.277	50	10	BBGE	
C=CC=CCCN=c1[nH]ccc(B(O)O)c1F	2217179120	GQBXZUZSXKBWGA-UHFFFAOYSA-N	236.055	-0.133	50	10	BBGE	
OB(O)c1ccnc(OCCNC2CCC2)c1	2217186249	HTBDZLFNGOLQNC-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
OB(O)c1ccnc(NCCOC2CCC2)c1	2217195704	MRQATVPQPKDEIB-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccc(N[C@H]2[C@H]3COCC[C@H]32)nc1	2217196834	IHTVEYFLOFTZJX-WCABBAIRSA-N	234.064	-0.792	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCC2(F)F)nc1	2217200985	BUFSNCUZULYAEZ-ZETCQYMHSA-N	243.022	-0.244	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3COC[C@H]32)c1	2217202835	MACXTKACHPWOMZ-FXBDTBDDSA-N	234.064	-0.792	50	10	BBGE	
CC1(C)OC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1=O	2217467833	ABPYPOBCJMMIGP-PHDIDXHHSA-N	241.247	-0.630	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCN(C)C2)cc1B(O)O	2223639782	GSHOYJFGXQIOMU-JTQLQIEISA-N	249.123	-0.567	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ccnn1C	2223643753	ZVFPHSPVZBWVQU-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCN[C@H]2C2CC2)nc1	2223645020	QYWLXHXCQUVRHH-JQWIXIFHSA-N	247.107	-0.686	50	10	BBGE	
N#Cc1cncc(Oc2cc(B(O)O)ccn2)c1	2223663336	OTBHHQKXLYRZBP-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
C[C@@H]1CCC[C@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223666827	OQKHRAVRYOLNKF-ZJUUUORDSA-N	249.123	-0.184	50	10	BBGE	
COC[C@@H]1C=CCCN1c1cc(B(O)O)ccn1	2223667278	RFINZGFAXKLSIS-NSHDSACASA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCNC3(CC3)C2)c1	2223670479	YLSNKVBZOZLLCC-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1C[C@@H]2CC[C@@H]2C1	2224030848	NQKUDWJAYDLCKA-OWUUHHOZSA-N	248.091	-0.641	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1sccc1B(O)O	2243375842	ZFYDEADAUVWBPU-ZETCQYMHSA-N	237.089	-0.290	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@H]1C[C@@H]1C	2243382999	UECVJEJWHLULCO-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
O=C(C#CB(O)O)NC1CCC2(CC1)CC2	2243401055	LMQHZNQEQUMJQA-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2243401135	MPQRRHCGKCOBJB-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1ccc(B(O)O)o1	2243401600	UNBNVWJSNHVIJY-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
NC[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243410938	KTTIULCNTSIMAE-MRVPVSSYSA-N	226.085	-0.809	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNC(=O)C1(B(O)O)CC1	2243411317	RIBILVQFDXZBJS-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCCc1ccoc1)[C@H]1C[C@@H]1B(O)O	2243426243	FZTZQAFZRMQPLN-IUCAKERBSA-N	223.037	-0.199	50	10	BBGE	
O=C(NCC#CB(O)O)C(F)(F)CC1CC1	2243684477	AJHRSOLCMXAPDI-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CN(C)CCC(=O)NN	2243791454	AUBIOESANNQDNH-KOLCDFICSA-N	229.324	-0.029	50	10	BBGE	
C=C[C@@H]1COCCN1C(=O)C1(B(O)O)CC1	2244001804	SNQGNJQJQLVAIP-MRVPVSSYSA-N	225.053	-0.593	50	10	BBGE	
O=C(NCC1(Cl)CC1)c1cocc1B(O)O	2244223525	WOVOAVYDBBJJFE-UHFFFAOYSA-N	243.455	-0.539	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C)[C@H](C)C(=O)NN	2245139920	IQNWDBVJYXPOQN-QCLAVDOMSA-N	229.324	-0.154	50	10	BBGE	
CC[C@@H](COc1cc(B(O)O)cnc1C)OC	2246748080	KQAYQYHYRAHUMS-JTQLQIEISA-N	239.080	-0.126	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@@H]3C2)n1	2247139615	AWCHUOUKJPOPQQ-HTQZYQBOSA-N	234.064	-0.774	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)oc2C)C1	2247723942	WIBIJUCCTXGFMR-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
CN(C[C@@H]1COC(C)(C)C1)C(=O)C#CB(O)O	2247740918	RMJZNURKSXBFSK-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1C[C@H]2CC[C@H]1O2	2247747561	PDLNQVONODBOLW-IVZWLZJFSA-N	237.064	-0.924	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(B(O)O)c1F	2247752069	IARPAHBAVQQGEH-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
CCON(C)C(=O)c1cccc(C)c1B(O)O	2247752795	WBRFMFPEJBBLBL-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
COCC[C@@H](C)NC(=O)c1occc1B(O)O	2247753084	BFQYAARDIJXSLG-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H](CO)C(C)(C)C	2247755427	PYSAIEJNJSVNHT-MRVPVSSYSA-N	243.112	-0.141	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H](F)[C@@H](F)C1	2247755485	KAJVEBCINFIILJ-BQBZGAKWSA-N	244.990	-0.909	50	10	BBGE	
CCn1cncc1CNC(=O)C1(B(O)O)CC1	2247756198	LLYZNPDBDSPRBV-UHFFFAOYSA-N	237.068	-0.474	50	10	BBGE	
COC(=O)C[C@H](C)NC(=O)C1CC(B(O)O)C1	2247797292	IHGZGKJRUCHYPC-KKMMWDRVSA-N	243.068	-0.693	50	10	BBGE	
CC[C@@]1(O)CCN(C(=O)C2CC(B(O)O)C2)C1	2247797667	LVVLUWNILUYVGS-NWGYLPEXSA-N	241.096	-0.387	50	10	BBGE	
CCN(CCCN(C)C)C(=O)[C@@H]1C[C@H]1B(O)O	2247799423	CXHDXHKRHSKJQW-NXEZZACHSA-N	242.128	-0.351	50	10	BBGE	
CCC(O)(CC)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806364	FKENHTVSHKFNQS-KYZUINATSA-N	243.112	-0.093	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@@H]1N	2247807747	JALGCCALPBWEQK-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1ccoc1B(O)O	2247846444	GRDYVRKORLPUBQ-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)CC12CCCCC2	2247852601	WVEIIOZNRDRZLB-UHFFFAOYSA-N	235.048	-0.536	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]1C(F)F	2247853118	GNVWXWMBHFUPIN-LURJTMIESA-N	244.990	-0.561	50	10	BBGE	
O=C(N[C@@]12CCOC[C@@H]1C2)C1CC(B(O)O)C1	2247859694	OELWELBOXXPYDN-JIIGURBLSA-N	239.080	-0.465	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1C	2247860541	XXWJJTUYHXGXLP-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)O2)C1(B(O)O)CC1	2247871766	HKOKKVXSLUQXAL-PSVAKVPMSA-N	239.080	-0.180	50	10	BBGE	
CCO[C@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2247873354	IVRZFJLLJUXLHK-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)oc1C	2247878689	PGPOOGLEIAKAIB-SSDOTTSWSA-N	237.064	-0.086	50	10	BBGE	
Cn1ncc2c1CN(C(=O)C1(B(O)O)CC1)C2	2247879919	WTHMALBSFWRJTD-UHFFFAOYSA-N	235.052	-0.731	50	10	BBGE	
COC[C@](C)(NC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247899678	PEZLWJTWGVTNPY-KKZNHRDASA-N	241.096	-0.219	50	10	BBGE	
O=C(NCC12COCC(C1)C2)[C@H]1C[C@@H]1B(O)O	2247899826	QNINOOUEMMISFS-QMFGVRBNSA-N	239.080	-0.608	50	10	BBGE	
COc1n[nH]c(NC(=O)C2CC(B(O)O)C2)n1	2247905604	UUXXRGGPBVYMBM-UHFFFAOYSA-N	240.028	-0.995	50	10	BBGE	
CC(C)(F)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248578919	OWDYINFLFWOJEC-YFKPBYRVSA-N	247.031	-0.689	50	10	BBGE	
COC[C@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2249383197	MHWKRZYROAXUOM-SCZZXKLOSA-N	241.096	-0.266	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2(F)CC1C2	2249410324	YPSFJCUUPZRVSH-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
O=C(C[C@@H]1CCCCO1)NCCC#CB(O)O	2249998364	HYFWYBVMEOJAJM-JTQLQIEISA-N	239.080	-0.533	50	10	BBGE	
O=C(N[C@H]1CCCC[C@@H]1CO)[C@@H]1C[C@H]1B(O)O	2251442698	KNONLKBGVBFAKH-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)CN1Cc2ccccc2C[C@H]1CO	2253324996	WBFSIDBPLVLUTP-NSHDSACASA-N	235.287	-0.605	50	10	BBGE	
CC(C)N(Cc1ccccn1)C(=O)C#CB(O)O	2255469843	VIGIWTSOFCWTAR-UHFFFAOYSA-N	246.075	-0.166	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2CCCC[C@H]21	2255481072	BXIHJMZHLUYEHI-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
C#CCCCNC(=O)c1ccc(F)c(B(O)O)c1	2255515254	VENUAFWMZQSLBZ-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cc(C)c(B(O)O)o1	2255574196	XVPFBZJBQIUJKD-GFCCVEGCSA-N	249.075	-0.200	50	10	BBGE	
CCC1CC(NC(=O)c2ccncc2B(O)O)C1	2255692421	UUVUEBBGVDWSKR-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@H]1[C@H]2CCC[C@H]21	2255735332	RHTIIPBOGBSDDP-DOFRTFSJSA-N	248.091	-0.767	50	10	BBGE	
O=C(NCc1cnn(C2CC2)c1)[C@H]1C[C@H]1B(O)O	2255766926	AVUQFVKDMWGSEO-VHSXEESVSA-N	249.079	-0.303	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CCC[C@H]21	2258124285	AEGPVXXQRLOFCD-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1cocc1B(O)O	2258128072	NQORSEMTBZYTKA-KWQFWETISA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2COC[C@H]1C2	2258844565	OQPNEQKNUMSRDO-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
Cc1nnccc1CNc1ncccc1B(O)O	2261257854	XQBSGGYQJTVGGT-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)[C@H]1C[C@@H](B(O)O)C1	2298369234	NJSTVLBCUKNOSJ-MSLAYNRJSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@H]1[C@@H]2CO	2298376733	LPZXVJWBQNIWEY-OEZYJKACSA-N	239.080	-0.921	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@H](COC)C(=O)NN	2299332787	VBTHPYNDSHCOFJ-AEJSXWLSSA-N	243.307	-0.997	50	10	BBGE	
OB(O)c1cc(F)c(F)c(OC[C@H]2CCO2)c1	2300478621	QMKPVMWRUPKJEQ-SSDOTTSWSA-N	244.002	-0.188	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H]1CCNC1=O	2302050297	PEUVIRTXGMIXOI-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CCn1nnc(CN2CC[C@@](C)(B(O)O)C2)n1	2303135250	CKKPFWATNLYNMO-SECBINFHSA-N	239.088	-0.868	50	10	BBGE	
CC[C@@](C)(CN(CCO)C[C@@H](C)O)C(=O)NN	2303424934	XAYFSSIUNWTZRH-KOLCDFICSA-N	247.339	-0.932	50	10	BBGE	
CC[C@@](C)(CN1C(=O)[C@H]2C[C@H]2C1=O)C(=O)NN	2303435954	ZGANFFVXXXBFED-CVJICSNFSA-N	239.275	-0.603	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C[C@@H]3CC[C@H]2N3)c1	2312614453	OQHGIEAQBXUCOP-INTQDDNPSA-N	248.091	-0.719	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CCCNC1	2317165812	ONQLEPIAFGGFPW-LLVKDONJSA-N	245.091	-0.598	50	10	BBGE	
CO[C@@H](C)[C@H](NC(=O)CCl)C(=O)O	32211005	XCSSIGLYVOZJJK-NJGYIYPDSA-N	209.629	-0.171	50	10	BBGE	
NNC(=O)CN1C(=O)N[C@@H](c2ccccc2)C1=O	96776300	FULFAEHMSOOYQY-VIFPVBQESA-N	248.242	-0.731	50	10	BBGE	
N#Cc1ncn(Cc2ccc(C(=O)NN)o2)n1	104112163	FKVGIMUQBCKOJU-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@@H](C)CCC(=O)NN	110593393	GCLSBPFUAXKXLZ-VIFPVBQESA-N	244.339	-0.399	50	10	BBGE	
C[C@@H]1C(=O)N(CCC(=O)NN)C(=O)[C@H]1C	118097312	LXJSAOXWGRZWOH-WDSKDSINSA-N	213.237	-0.993	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CO)C1	226494425	LMZGMBAAXWYYTG-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
COC[C@H](OC[C@@H]1CCCO1)C(=O)NN	232417518	OOKOWEIWKXUHKN-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
COc1ncc(B(O)O)cc1Br	238397639	TZUIATNNUBDKKI-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C)[C@H](C)C(=O)NN	308287038	DXSVARXUPZPXBP-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
Cn1nc(-c2ccccn2)cc1B(O)O	389643106	RJFUEYAZBBQGKB-UHFFFAOYSA-N	203.010	-0.838	50	10	BBGE	
O=C(CCl)Cc1cc(O)ccc1B(O)O	396023189	OGASMLCTVLCWDW-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C2COCC1COC2	399905118	CDCALQRWJMYOKT-IDKOKCKLSA-N	243.307	-0.755	50	10	BBGE	
OB(O)c1ccc(OCCc2cnccn2)cc1	402581171	DGQWVGSUWFHLQN-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
CO[C@@]1(CO)CCN(CC(C)(C)C(=O)NN)C1	402604047	LYBXDUDNPFDPTA-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
CCC[S@@](=O)NCc1ccccc1B(O)O	405035924	NLOJJZCBGYXUJP-MRXNPFEDSA-N	241.121	-0.470	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)OCC	490809462	WRWDVKDNDRUWSY-UHFFFAOYSA-N	234.252	-0.183	50	10	BBGE	
O=C(/C=C/c1ccsc1)NNC(=O)CO	492511557	WTKPXWVMIJHXML-OWOJBTEDSA-N	226.257	-0.099	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@@H]1C1CC1	584996033	VSZYWFXIUSPMHD-GFCCVEGCSA-N	245.087	-0.009	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCO[C@@H](C(F)F)CC1	686836713	IIDQONNWSCFDBG-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NN)O1	688915374	MUBLCACHXOGRQV-RQJHMYQMSA-N	215.253	-0.950	50	10	BBGE	
NNC(=O)CCCCN(CCO)CC1CC1	690925343	BSDOFZHIVYDXIB-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
O=C(NCB(O)O)c1cc(F)c(F)c(O)c1F	701953320	ZHRPIRUKPMFTBP-UHFFFAOYSA-N	248.953	-0.449	50	10	BBGE	
CC(C)(CC(N)=O)N1[C@H]2CC[C@H]1C(=O)OC2=O	703425763	XIBCYCSGWHAHRU-BQBZGAKWSA-N	240.259	-0.443	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCn1cccn1	703474156	JKMKQZCYBVTEPQ-RKDXNWHRSA-N	235.243	-0.201	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnccn1	704121310	BLPJRLMRXNNJNQ-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
CCOC[C@H]1CCN(CCC(=O)NN)C1	707556983	IBUNLMBIGHWHCV-VIFPVBQESA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@@H]1CO	708122873	DBKJGBKROPVMER-UTINFBMNSA-N	229.324	-0.439	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@H](C1=O)C2(F)F)C(=O)NN	715553062	XBDUAGPHJVVIIY-PHDIDXHHSA-N	247.245	-0.274	50	10	BBGE	
COC[C@@](C)(CO)NS(=O)(=O)CCl	716813807	FVKUVRYHEFIYEW-ZCFIWIBFSA-N	231.701	-0.501	50	10	BBGE	
C[C@@H](O)C1CN([C@H](C)CC(=O)NN)C1	719807118	MGZKHSGRNNIFBU-RNFRBKRXSA-N	201.270	-0.933	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H]1OC	724139096	LAODEXYVDHPPRI-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](CO)SCc1nsc(C(=O)NN)n1	724324415	MBBUFDGUUHHUCN-BYPYZUCNSA-N	248.333	-0.244	50	10	BBGE	
CCOCC(=O)NNC(=O)N[C@H](C)[C@H](C)OC	812578429	NEHNLSLXNHTHCD-SFYZADRCSA-N	247.295	-0.223	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NN(C)[C@H](C)CO	823907691	OQPXUXDZAZSHKW-SCZZXKLOSA-N	243.307	-0.659	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)C(C)C)[C@H]1CCOC1	854214438	YGKNJEGQZMDMCI-IUCAKERBSA-N	244.291	-0.159	50	10	BBGE	
CN1C[C@@H](C(=O)NCCCSC#N)NC1=O	854367382	RLFFQFLMWMUUCJ-ZETCQYMHSA-N	242.304	-0.269	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)n1C	912677062	LTWQAGCPESHOPU-FTLITQJKSA-N	249.274	-0.208	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)c1ccccn1	1135619508	XUURXDYTLFZAPG-ANTNXHBISA-N	235.243	-0.220	50	10	BBGE	
COC(=O)NNC(=O)CCc1cn(C)nn1	1334650133	NNMBYNDSTSYXEB-UHFFFAOYSA-N	227.224	-0.865	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCNC(=O)CC1	1346490980	FUTLHYAYEHQBEP-SECBINFHSA-N	243.307	-0.488	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1ncnc2[nH]cnc12	1457655162	GEABTLVJPDPUBL-JTQLQIEISA-N	248.246	-0.267	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NCCO)cn1	1618293339	MKWDGHFNGPZAKO-RUDMXATFSA-N	220.232	-0.564	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCCNC(=O)NC	1630704784	XUUFPSYXHIXWSF-BQYQJAHWSA-N	240.263	-0.524	50	10	BBGE	
NNC(=O)c1c[nH]nc1Br	1880075662	SEVKQTQICMVNEO-UHFFFAOYSA-N	205.015	-0.224	50	10	BBGE	
O[C@H]1CN(C[C@H]2C[C@@H]2Br)C[C@H]1O	1881371034	PEEDTWZMIQMLNC-CWKFCGSDSA-N	236.109	-0.193	50	10	BBGE	
N[C@@]1(C(=O)NC2CC(Cl)C2)CCOC1	1884412318	OIMHGDIARKVHBS-IEIXJENWSA-N	218.684	-0.010	50	10	BBGE	
O=S(=O)(N[C@@H]1C[C@H]1CCl)c1nc[nH]n1	1885226198	JYPLMUVPULMQLP-CRCLSJGQSA-N	236.684	-0.290	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@H]1C	1885873663	SQLFYNQWRVMKFR-RULNZFCNSA-N	201.270	-0.934	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(F)(C#N)C1	1888393237	IADIWIRZFFSETK-ZCFIWIBFSA-N	200.217	-0.698	50	10	BBGE	
COCCNS(=O)(=O)CCOCCCl	1889159906	VADMJKFBUFMTCG-UHFFFAOYSA-N	245.728	-0.192	50	10	BBGE	
N[C@@H](CCO)C(=O)N1CCSSCC1	1890397381	ORLSEVPEPKRGOH-ZETCQYMHSA-N	236.362	-0.080	50	10	BBGE	
C[C@@H](C(N)=O)N(C)C(=O)/C=C/C(=O)Cl	1893505020	PXGRTRNQQPXEFK-BHYDHMSTSA-N	218.640	-0.360	50	10	BBGE	
NCC[C@@H](O)C(=O)NCC1CC(Cl)C1	1893509034	IWNVXPSAEOBRPK-KAVNDROISA-N	220.700	-0.170	50	10	BBGE	
NC[C@@H](O)CC(=O)NCC1CC(Cl)C1	1893514220	WFHGVZYXVRQCHT-RRQHEKLDSA-N	220.700	-0.170	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C[C@@H](C)C(=O)NN	1896480781	ISVBCRXJBSVHQU-UTLUCORTSA-N	229.324	-0.173	50	10	BBGE	
NC[C@@H]1C[C@@H](NC(=O)/C=C/C(=O)Cl)CCO1	1897227252	PHVWMOBVTPUTQM-HIQWKFPQSA-N	246.694	-0.070	50	10	BBGE	
C[C@@H](C(=O)NC1CC1)N1CC[C@@H](B(O)O)C1	1902505835	MEKRINWRCWHDRP-JGVFFNPUSA-N	226.085	-0.798	50	10	BBGE	
C=CC1(O)CN(C[C@](C)(CC)C(=O)NN)C1	1902716322	QRGGXJZEQFPUGU-JTQLQIEISA-N	227.308	-0.375	50	10	BBGE	
O=C(C=Cc1ccccc1)NCB(O)O	1911738689	ALTNMTLVTFREDT-UHFFFAOYSA-N	205.022	-0.172	50	10	BBGE	
COC1CC(N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1914825187	QTLBELKYVPERJM-NFTFJBJSSA-N	227.308	-0.278	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C1COC1	1915649538	BFOVGOOKLIPKMC-QMMMGPOBSA-N	201.270	-0.669	50	10	BBGE	
O=C(NNC(=O)[C@@]1(F)CCOC1)C(F)(F)F	1923408242	ZEOHWBDMTQEGPF-ZCFIWIBFSA-N	244.144	-0.175	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)CC2(CC2)C1	1926433355	KFTGPHOQAWOLLV-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
C[C@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1927816108	HUTPSWPLXPBIGT-ZETCQYMHSA-N	223.223	-0.932	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCn2nccc2C1	1927957554	IGXZILIFFFMTBR-ZETCQYMHSA-N	209.253	-0.923	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](O)(CC)C1	1930889474	GTNQVXRBMQRYDH-PSASIEDQSA-N	215.297	-0.398	50	10	BBGE	
OC[C@@H](O)C1CCN(C[C@H](O)CCl)CC1	1932260292	WUGGZAZFLQGGRM-NXEZZACHSA-N	237.727	-0.349	50	10	BBGE	
NNC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1	1932581637	KLTIUZACBNJDHI-DTWKUNHWSA-N	213.281	-0.665	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C(=O)C1	1936083603	JFBCCDDLTSNHAY-HLTSFMKQSA-N	225.292	-0.129	50	10	BBGE	
COC[C@H](C)CN(C)C[C@H]1C[C@H]1C(=O)NN	1936093158	BFXWTALOLYHULV-OPRDCNLKSA-N	229.324	-0.173	50	10	BBGE	
CC[C@@H]1COCCN1CCOCC(=O)NN	1936536322	QGSYEDMIOIZDGS-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1CCOC[C@H]1Cl	1937145538	KTCNFNBIRHCSKG-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
C[C@]1(O)CCCN(CC2(C(=O)NN)CC2)C1	1938248046	ZWBGKDVELIWKQC-JTQLQIEISA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN2CCC[C@H]2C1	1941082503	ZRWLZCQRYCLMNS-OUAUKWLOSA-N	238.335	-0.608	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CC1(C)C	1944736194	KUBOFWRHGLQOEQ-OPRDCNLKSA-N	241.335	-0.031	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1CC1(C(=O)NN)CC1	1945913751	YKRBTDJQOSTGJD-UHFFFAOYSA-N	239.235	-0.130	50	10	BBGE	
CO[C@H]1CCCN(CCOCC(=O)NN)[C@H]1C	1949587031	AIRJOVGQKNPIIJ-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
COc1cncc(OC)c1[C@@H](N)[C@H](O)C#N	1952956558	LXJLYALSOIIQPT-LDWIPMOCSA-N	223.232	-0.017	50	10	BBGE	
CS(=O)(=O)N1C[C@H](Cl)[C@@H]2COC[C@@H]21	1954366481	RGIQIKZYHOUMDN-ACZMJKKPSA-N	225.697	-0.116	50	10	BBGE	
CCN(C[C@H](Cl)C#N)[C@H]1CC(=O)NC1=O	1961457181	NXVDQXJJRWROQW-RQJHMYQMSA-N	229.667	-0.146	50	10	BBGE	
CCC1CN(c2ccncc2B(O)O)C1	1961688740	XFXSKZGFJSBKNU-UHFFFAOYSA-N	206.054	-0.392	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961926420	MUOJTHNMEDRYRT-GRDBIXFFSA-N	235.711	-0.598	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H]1CN(C)C	1976931512	ISURUGIJCDLJGI-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2SC(=O)C=C2C1	1981029459	YXZPNRPRYRXQBL-SVRRBLITSA-N	241.316	-0.361	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@@H]32)nc1	1981409741	QYCZWVZCXODGGC-APPZFPTMSA-N	219.053	-0.855	50	10	BBGE	
CO[C@@H](C)COc1ccc(F)c(B(O)O)c1	1981499620	DCAVOEWKWWHCLL-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H](CCO)C(F)F	1984132010	MAVXLTLOEZBDCP-RNFRBKRXSA-N	239.266	-0.297	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1OCC[C@@H]1F	1984336514	AEJYWQJMDWMPNF-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CO[C@H]2CCOC2)O1	1986049854	WZVWHQAGOGFEOM-DJLDLDEBSA-N	230.264	-0.671	50	10	BBGE	
NC(=O)NNC(=O)[C@@]12CCCCN1CCC2	1986980020	NLQWHNOZTWPZCN-JTQLQIEISA-N	226.280	-0.296	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1C[C@@H](C)C(=O)NN	2003619535	HWAUCVNOTZNZOO-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
OB(O)c1cc(OCCC2COC2)ccc1F	2005061205	RYLFWZKZBSSINP-UHFFFAOYSA-N	240.039	-0.079	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C(C)(C)O)C1	2005913299	PZPGQHNHHLGGHF-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](F)[C@@H](CO)C1	2008031622	QKPHGYOGWINHHT-KXUCPTDWSA-N	247.314	-0.347	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@@]2(CO)C1	2008882957	JCOGNDUFUHFGHP-APPZFPTMSA-N	249.261	-0.684	50	10	BBGE	
CCOCCOC[C@H]1CCC[C@@H](C(=O)NN)O1	2018242279	FSLBSEWDSPQINL-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CC2CCC1CC2	2021156644	AKKBCASJYMIVBW-VQXHTEKXSA-N	235.092	-0.056	50	10	BBGE	
CCN(C)CCOCc1ccccc1B(O)O	2022708803	IGBDZCPQKPUGJU-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
OB(O)c1cccnc1N(C1CCC1)C1COC1	2052499489	UTIIUYXOCIQNJL-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
N#Cc1cc(OC(F)F)c(C=O)c(B(O)O)c1	2060272712	ZWANUBIKDRDLBV-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC=C[C@@]1(C)CO	2211782774	RBKNRFSPIXXXGP-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CSc1nncn1N	2211839553	WGMFFCSMCMIROA-RITPCOANSA-N	242.308	-0.900	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)CCO1	2212260275	BWACVLWSPQCPIK-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
Cc1cnc(OCC[C@H](C)N)cc1B(O)O	2212606560	WAFIRMKUKRTHMW-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@@H]1CCC[C@@H]1O	2212901391	UAGRIPVWWJTTNX-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CC[C@@H]1CN(C)c1ncc(B(O)O)cn1	2215007250	YDKNVGNUEZSRCL-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC(F)(F)C2)nc1	2217173185	OTHVHZQCKSTPMN-ZETCQYMHSA-N	243.022	-0.244	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1Nc1ncc(B(O)O)cn1	2217201576	RBBJWVIBPLPFBH-DTWKUNHWSA-N	237.068	-0.864	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1c1cc(B(O)O)ccn1	2217204863	PYCCYENMQNZJJW-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CNC[C@H]2C3)c1	2220068455	CILXWPTWZHBJIZ-DGCLKSJQSA-N	246.119	-0.840	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1CCN[C@H]1C1CC1	2223620497	OEVRGLYUHMRDIU-MNOVXSKESA-N	248.091	-0.719	50	10	BBGE	
CC1(C)NCCC[C@H]1Nc1ccc(B(O)O)cn1	2223649251	WAINWJJTZAQQHW-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
Cc1cnc(N2CCN[C@H](C)[C@@H]2C)cc1B(O)O	2223652284	HRAPVTRINIUZPV-ZJUUUORDSA-N	249.123	-0.744	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)nc1	2223675017	ORACXZHBIQGNBS-MXWKQRLJSA-N	248.091	-0.259	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)O1	2243365583	OOVWYBQYUMTZRB-JGVFFNPUSA-N	227.069	-0.323	50	10	BBGE	
CC[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2243378815	ZSUIRKRFIRYUOS-ZETCQYMHSA-N	225.053	-0.204	50	10	BBGE	
CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243391746	NVDUMLXJYGSZFK-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@H](CF)C1	2243395977	FPQLSCBMTIVDLH-PRJMDXOYSA-N	231.032	-0.954	50	10	BBGE	
CC=C1CN(C(=O)c2ccc(B(O)O)o2)C1	2243400361	ZVJTZASNPATWDR-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
CCN(C[C@H](C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243404407	NQUBHKCOJFGNNL-XHNCKOQMSA-N	229.085	-0.531	50	10	BBGE	
CCCN(C)C(=O)c1cc(B(O)O)cn1C	2243408844	WJRMUTXAMDPZAZ-UHFFFAOYSA-N	224.069	-0.813	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12)C1(B(O)O)CC1	2243409085	AUQKXPPKJGOLLA-HXLXBVJFSA-N	221.065	-0.236	50	10	BBGE	
O=[S@@](NCCC#CB(O)O)C1CCCCC1	2244537375	JRTGSJNJIPNVEY-MRXNPFEDSA-N	243.137	-0.022	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC[C@@]2(O)C[C@H]2C1	2246743286	MUSYPSPFYNTGGP-IONNQARKSA-N	249.261	-0.542	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2O[C@H]3CC[C@H]2C3)O1	2247074534	QLIGLPOINDNMPI-AATLWQCWSA-N	241.291	-0.308	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccc(N)cc1	2247738275	PMFAVUVGJYVLPQ-MRVPVSSYSA-N	232.048	-0.539	50	10	BBGE	
C[C@H]1CNCCCN1C(=O)C1(B(O)O)CCC1	2247751633	ZSQBAONXEXSCLR-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C=CCN(C)C(=O)c1c(F)cccc1B(O)O	2247752707	URKXKLDWWOMSLB-UHFFFAOYSA-N	237.039	-0.237	50	10	BBGE	
O=C(N[C@]12CCCNC[C@@H]1C2)C1(B(O)O)CC1	2247755954	KMEVOEHZXUOCNW-KWQFWETISA-N	238.096	-0.748	50	10	BBGE	
O=C(N1CCO[C@@H]2CCC[C@H]21)C1(B(O)O)CC1	2247756581	NXPTYGVKZWXJCH-RKDXNWHRSA-N	239.080	-0.227	50	10	BBGE	
O=C(NC[C@H](CO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247791224	LVVYFLHDMXIZRW-BBBLOLIVSA-N	241.096	-0.626	50	10	BBGE	
Nc1ccccc1CNC(=O)[C@H]1C[C@H]1B(O)O	2247805417	KDWFTJAFBCCBDU-DTWKUNHWSA-N	234.064	-0.252	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1CO	2247806869	GQYROEDDTIZUGC-RJQCTPFPSA-N	241.096	-0.674	50	10	BBGE	
CN(C[C@]1(C)CCCOC1)C(=O)C#CB(O)O	2247847165	SILHFVRBDOJEMH-NSHDSACASA-N	239.080	-0.723	50	10	BBGE	
CC1(F)CC(NC(=O)c2ccc(B(O)O)o2)C1	2247850495	PBJCGBGUPLQIFF-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850627	QRCVYFCWPPKFNM-ONGXEEELSA-N	236.080	-0.387	50	10	BBGE	
Cc1nc(NC(=O)C2(B(O)O)CCC2)nn1C	2247853113	GMJHKWQHBCEAOB-UHFFFAOYSA-N	238.056	-0.541	50	10	BBGE	
CCCCCNC(=O)c1cn(C)c(B(O)O)n1	2247853532	NGBYORBJYHKTJB-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247859122	KMHQOWJRIIPGFC-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cncc(B(O)O)c1	2247874369	LLEMYFQGPGHVKX-OIBJUYFYSA-N	234.064	-0.758	50	10	BBGE	
O=C(NC[C@]12COC[C@H](C1)C2)[C@@H]1C[C@H]1B(O)O	2247887669	QNINOOUEMMISFS-CDLYGTGVSA-N	239.080	-0.608	50	10	BBGE	
CCC(CC)N(C)C(=O)c1c[nH]nc1B(O)O	2247892564	CXRWDUTUUAHCAJ-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
CN(C[C@@H]1CCCCO1)C(=O)[C@H]1C[C@H]1B(O)O	2247897597	VEGQMFNDVXWHOR-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
C#CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900701	ZAEMUPGVWMFYET-OPRDCNLKSA-N	237.064	-0.900	50	10	BBGE	
CC(C)(C)OC(=O)c1ncc(B(O)O)cc1F	2247982378	WWHBLLSDWDRVLF-UHFFFAOYSA-N	241.027	-0.144	50	10	BBGE	
C=C(C)C(=O)N1Cc2cccc(B(O)O)c2C1	2248394772	BYMMQOCQZQZAMK-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248586314	YZXQBVUJTMEVFK-DSYKOEDSSA-N	243.068	-0.535	50	10	BBGE	
COC[C@]1(C)C=CCN1C(=O)C1(B(O)O)CC1	2248696264	XCACTBWKTRGGGN-JTQLQIEISA-N	239.080	-0.203	50	10	BBGE	
Cc1cc(OCCC(=O)NN)ccc1C(N)=O	2253330089	VSBJWDIQXXTCEP-UHFFFAOYSA-N	237.259	-0.147	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1cc(B(O)O)cn1C	2255507613	BILMHUNZHLXMHZ-QMMMGPOBSA-N	249.079	-0.921	50	10	BBGE	
O=C(Nc1cccc(F)c1)c1n[nH]cc1B(O)O	2255552630	NTBMDZCCXFNUHN-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)c[nH]2)nc1	2255670966	KQCYNKOUIOVKDY-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@H](c2ccco2)C1	2255678710	CWSBCDIVFGMQJJ-JTQLQIEISA-N	249.031	-0.805	50	10	BBGE	
NCc1cccc(CNC(=O)[C@H]2C[C@H]2B(O)O)c1	2255784696	QJCHQIDCCPJHKU-WDEREUQCSA-N	248.091	-0.376	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)Nc1ncc[nH]1	2257488992	ZBQMRXBLPKOPQZ-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1cocc1B(O)O	2258122857	HYXIHASLFRTYJK-RNSXUZJQSA-N	249.075	-0.122	50	10	BBGE	
CN(C[C@H]1CCCNC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369219	MWNXHNMLVIMYFL-AEJSXWLSSA-N	240.112	-0.693	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@H](N)C1	2298371830	XCHXOSAEGUUXKF-AXTSPUMRSA-N	240.112	-0.422	50	10	BBGE	
NCC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298376165	LCEZXDIEKGMSIH-BBBLOLIVSA-N	240.112	-0.563	50	10	BBGE	
C[C@H]1OC2(CNC(=O)[C@@H]3C[C@H]3B(O)O)CC1C2	2298376252	OQXDGPSDYCXXAB-BOGUDOAGSA-N	239.080	-0.467	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOC[C@@H](F)C1	2299875943	QIJNFMILGDPWBK-CIUDSAMLSA-N	245.059	-0.564	50	10	BBGE	
C[C@@H]1[C@H](Oc2ncc(B(O)O)cn2)CC1(C)C	2302159888	QGMNFMNTVFZAAT-VXNVDRBHSA-N	236.080	-0.030	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1COC[C@H]1[C@@H]2COC[C@H]12	2303014006	UICAQDWXYXOIDR-AJBSGBCOSA-N	240.303	-0.089	50	10	BBGE	
CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	2303124286	PUKKGEDYVBKXFL-GUBZILKMSA-N	242.128	-0.162	50	10	BBGE	
CC[C@](CN)(C(=O)O)N1CCC(O)(C#N)CC1	2305448746	RFKIYDBNATZSSK-NSHDSACASA-N	241.291	-0.471	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]2C[C@H]3O)nc1	2315491617	PTXZPSOXWYJXGQ-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
Cc1nc2ccccc2c(=O)n1CC(=O)NN	3632692	WOTFHVIHWRJSSA-UHFFFAOYSA-N	232.243	-0.305	50	10	BBGE	
C[C@H](CNCCCN1CCCC1)C(=O)NN	58855031	AKBDHVOTLIYCKI-SNVBAGLBSA-N	228.340	-0.312	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(CO)CC1	82465788	ASYXNHSELFOYPK-JTQLQIEISA-N	229.324	-0.295	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H](C)CO	85138368	QFVCZOKDMCLBPC-LURJTMIESA-N	220.294	-0.485	50	10	BBGE	
C[C@@H]1OCC[C@H]1C(=O)NNC(N)=S	86762406	WNSRCMXZVSKOMR-CRCLSJGQSA-N	203.267	-0.724	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)CCC2=O)o1	110579180	VDJTYULJQSFBKY-UHFFFAOYSA-N	237.215	-0.468	50	10	BBGE	
NCCCC[C@](N)(CCCCB(O)O)C(=O)O	198057236	GCAVXIHTMKPSAN-SNVBAGLBSA-N	246.116	-0.459	50	10	BBGE	
NNC(=O)c1cn(CCOCCC2CC2)nn1	229575866	HORVVOWIYFSVRW-UHFFFAOYSA-N	239.279	-0.302	50	10	BBGE	
CC[C@@H]1CN(C(=O)C(=O)NN)CCCO1	300936131	ROIHCLWIFWJEQJ-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1C[C@H](O)CN([C@H](C)C(=O)NN)C1	306688220	MOBZTRJWBYSEIG-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
Nc1c(O)cc2ccsc2c1B(O)O	306735832	PTPBHMHLNHCJDB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1c(O)cc(B(O)O)c2ccsc12	306831570	KUAIIYZVESWZKC-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1sc2cccc(O)c2c1B(O)O	307235870	DOKHRWCSFVIIJE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC(C)Cc1cc(B(O)O)n(C)c1C(=O)O	309082357	FWPVBQQFMHLGTF-UHFFFAOYSA-N	225.053	-0.398	50	10	BBGE	
CC1(C)N=C(N)N=C(N)N1O[C@@H](Cl)C(=O)O	309189055	LXMOGVCEJUGJDW-GSVOUGTGSA-N	249.658	-0.751	50	10	BBGE	
CO[C@H](C)CCN1CC(=O)OC(=O)C1	379619098	CFLUYPBXCZPVRS-SSDOTTSWSA-N	201.222	-0.203	50	10	BBGE	
CC[C@@H](CO)N(C)[C@H](C(=O)NN)C(C)C	382050491	AGYBNCKTOPIYDT-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
Cn1cc(N=c2[nH]c(CCl)nc(=N)[nH]2)cn1	390530104	LLKNJRCYRLUWJR-UHFFFAOYSA-N	239.670	-0.078	50	10	BBGE	
N#CCc1cc(CCC=O)cc(B(O)O)c1	396138885	QUFZSAVXMGMQCR-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
OCc1cc(O)cc2cc(B(O)O)sc12	396337658	HQQMLEHCXYTNNM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H](CSC[C@H]1CN(C)CCO1)C(=O)NN	400747178	BCPHWSBDLORNNS-DTWKUNHWSA-N	247.364	-0.324	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(F)(F)[C@@H](CO)C1	403238408	OVPYZDJQSCQUMD-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
OCCC1(CNCc2cccc(B(O)O)c2)CC1	585036990	QKDIZUJWJWXWKA-UHFFFAOYSA-N	249.119	-0.381	50	10	BBGE	
C[C@H]1COCC[C@H]1NCc1cccc(B(O)O)c1	585037661	GIGJBLUUKNHXPA-GXFFZTMASA-N	249.119	-0.119	50	10	BBGE	
O=C(O)[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1	585064992	AOUIESKQFFGEFO-YUMQZZPRSA-N	241.052	-0.828	50	10	BBGE	
NNC(=O)C(F)(F)CSCCCO	685956562	WEHVAAXFUQKNQY-UHFFFAOYSA-N	214.237	-0.273	50	10	BBGE	
CN(Cc1ccccc1B(O)O)CC1CN(C)C1	692673322	NPQMHTCBWRSIFE-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCC[C@H]1CO	695086132	GQENKWVHEORBHW-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC[C@@H](CO)C1	696775965	JIQKDBLZMBMNRA-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CCOC[C@@H](Cl)CNCc1nnnn1C	697724301	RABHAEYELCXOMP-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
CN1CCC[C@@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	703436990	YCOBOKUHFUIJCB-UTLUCORTSA-N	238.287	-0.003	50	10	BBGE	
CS[C@@H]1CCC[C@@H]1N(C)C(=O)C(=O)NN	707270355	DDXKCGFNWIOPBB-NKWVEPMBSA-N	231.321	-0.281	50	10	BBGE	
CN(N)C(=O)CN(C)C(=O)c1ccco1	707589201	MNZKBFAHSYRPCI-UHFFFAOYSA-N	211.221	-0.316	50	10	BBGE	
CC(C)[C@]1(O)CCCN(CC(=O)NN)C1	710187670	BLROEJFLLLCRFL-JTQLQIEISA-N	215.297	-0.541	50	10	BBGE	
C=CCCS(=O)(=O)N1CCOC[C@@H]1N=C=O	710933999	KOSATWZOPLVSRT-SECBINFHSA-N	246.288	-0.114	50	10	BBGE	
NNC(=O)c1ncc(CN2CCNC2=O)s1	711262997	ZQFJHXBJJOAKIH-UHFFFAOYSA-N	241.276	-0.728	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)C(=O)NN)CCO1	721873350	GBPXLKJYMSBJMX-YUMQZZPRSA-N	243.307	-0.314	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1	722337658	OHWZRGCWRHSDSB-YUMQZZPRSA-N	227.264	-0.950	50	10	BBGE	
O=CC1=CC[C](N2C[C@H](O)[C@@H](CO)C2)S1	725542998	OPQSIEYJIORYIJ-APPZFPTMSA-N	228.293	-0.019	50	10	BBGE	
Cc1n[nH]cc1C=NNC(=O)[C@@H]1COCCO1	745206940	FEEZYZVBMIWTSF-VIFPVBQESA-N	238.247	-0.416	50	10	BBGE	
CCOCCOCC(=O)NNC(=O)NC(C)C	746849913	WPBSIXHVPVUNNX-UHFFFAOYSA-N	247.295	-0.222	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CC1	785402882	ACIBNRZTMKQURX-NKWVEPMBSA-N	242.231	-0.824	50	10	BBGE	
CCOC(CC(=O)NNC(=O)NC)OCC	785947738	BZUIMOQGXLUDKT-UHFFFAOYSA-N	233.268	-0.264	50	10	BBGE	
COC1CC(NC(=O)c2cccc(B(O)O)c2)C1	867388115	WVQQLJJGTOIEQC-UHFFFAOYSA-N	249.075	-0.726	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NN(CC)CCO	911443431	JHJCPCQUKLDLEL-RYEJSQLPSA-N	202.254	-0.731	50	10	BBGE	
O=C(CCCCCO)NNC(=O)c1cn[nH]c1	1168105098	POFGHVOVFDTHQH-UHFFFAOYSA-N	240.263	-0.277	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1ccc[nH]1	1290262507	ZFHCUOQASUWTDF-BYDTYLDUSA-N	223.232	-0.287	50	10	BBGE	
CC(C)(CNC(=O)CCl)CS(N)(=O)=O	1329303964	OIPNVHHAADYEAK-UHFFFAOYSA-N	242.728	-0.344	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNC(=O)c1cc[nH]n1	1453282671	ASWHZYLRPFLGQZ-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)c1ncccn1	1597856929	MYXOOTLPGNCJIQ-LURJTMIESA-N	224.220	-0.728	50	10	BBGE	
C=C/C=C/CC(=O)NNC(=O)c1cn(C)nn1	1629261346	YRNWKYLGECERTH-SNAWJCMRSA-N	235.247	-0.292	50	10	BBGE	
O=C(O)CONC(=O)[C@H]1C[C@@H]1Br	1881354071	SDPKVKXUCMIQID-IMJSIDKUSA-N	238.037	-0.098	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)CCl)C[C@@H]1O	1882755666	GIEGVERYQBCAEN-DSYKOEDSSA-N	207.657	-0.120	50	10	BBGE	
NC(=O)[C@@H](N)CNCC1CC(Cl)C1	1883648970	JJOIGNUOYNZXIA-AHXFUIDQSA-N	205.689	-0.594	50	10	BBGE	
Cc1c(S)cc(B(O)O)cc1C(=O)O	1887521021	SQITTYDQNGOZOU-UHFFFAOYSA-N	212.035	-0.338	50	10	BBGE	
C[C@@H](CO)CN1CC[C@](C)(B(O)O)C1	1891586329	RXLHVNPMRIEGEL-BDAKNGLRSA-N	201.075	-0.446	50	10	BBGE	
C[C@@H](CCCC(=O)NN)Sc1nncn1N	1901752561	NTGGLUIRCDJYSS-LURJTMIESA-N	244.324	-0.367	50	10	BBGE	
Nc1cnn(C2CN(C(=O)[C@@H]3C[C@H]3Cl)C2)n1	1902153467	DWQWHNCWEBKARR-RNFRBKRXSA-N	241.682	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ccncc2=O)C1	1908358196	MKCOOEHTDUKDSH-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2CC(=O)NNC(C)=O	1909983288	LYBPMJRGDJNVCH-OPRDCNLKSA-N	241.291	-0.737	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	1910401741	ZBUHCOCDJFLKKS-QEYWKRMJSA-N	241.335	-0.296	50	10	BBGE	
CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	1910672557	JTAJMLADDWTRHO-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](N=S1(=O)CCC1)[C@H](C)C(=O)NN	1913862969	QCXPJPSTMMFDOW-BQBZGAKWSA-N	219.310	-0.127	50	10	BBGE	
N[C@]1(B(O)O)CCOC[C@H]1C(F)(F)F	1916590767	TYABPQZHBPBZRJ-RFZPGFLSSA-N	212.964	-0.705	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(CCC[C@H]2O)C1	1918421135	IFNCMPZGVBPEFS-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1COCCN1CC(F)(F)C(=O)NN	1927816943	UVROYBGMMRZESZ-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@@H](F)C1)C(=O)NN	1927865640	AILGJEIAIIIYII-CSMHCCOUSA-N	219.260	-0.983	50	10	BBGE	
CCC1(F)CN([C@@H](COC)C(=O)NN)C1	1930278589	JIHOCMVPQMFMCB-ZETCQYMHSA-N	219.260	-0.575	50	10	BBGE	
CCN(C[C@H](C)O)CC1(C(=O)NN)CC1	1931266714	JHZIFYWSRPNOKR-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(CCO)C1	1932108221	MIURYAFABUVKLP-VIFPVBQESA-N	215.297	-0.685	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCC[C@H]2C[C@@H]21	1934311923	OJACLTUEKHSZTD-BIIVOSGPSA-N	211.265	-0.377	50	10	BBGE	
NNC(=O)C(=O)Nc1ccccc1CO	1934834398	VXPNQFYKWZMENU-UHFFFAOYSA-N	209.205	-0.893	50	10	BBGE	
C[C@H]1CCO[C@H]1CC(=O)NNCCO	1935369984	DQATUWPXXSXGDQ-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)[C@H]1CCOC1	1935933663	ZJGTXWGTEGXRMT-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2[C@@H](CCl)[C@@H]2C1	1937461683	VHGBUCNZDLDIBP-WHUPJOBBSA-N	241.682	-0.384	50	10	BBGE	
NNC(=O)C1(CN2CCS[C@@H](CO)C2)CC1	1938231940	GGJFOSWZOPIUEI-MRVPVSSYSA-N	245.348	-0.834	50	10	BBGE	
Cc1csc(CNC(=O)C2CC2)c1B(O)O	1939876125	ZRAHMZRYDAFEGS-UHFFFAOYSA-N	239.105	-0.237	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C[C@H]1C[C@H]1C(=O)NN	1941074986	WOVWUYKUAHFMHA-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2C[C@@H]1C[C@@H]1C(=O)NN	1941090487	OFSUVLWQWCGKPF-MMWGEVLESA-N	238.335	-0.609	50	10	BBGE	
N#Cc1ncn(CC2(C(=O)NN)CC2)c1C#N	1945914398	FWJKSFQHJRSQBN-UHFFFAOYSA-N	230.231	-0.603	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC2(CC2)C[C@H]1CO	1949697302	NKQVLCWOIBFGNM-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
N[C@H]1COC[C@@H]1C(=O)CBr	1953156141	LXXIHXWNRDWWIP-WHFBIAKZSA-N	208.055	-0.076	50	10	BBGE	
N[C@H](C(=O)CBr)C1COC1	1953187702	BEBKBNPHIJYYGA-LURJTMIESA-N	208.055	-0.076	50	10	BBGE	
C[C@H](O)[C@@H](CO)NC(=O)CCCCl	1954185971	MTGVBYWFVIVERG-NKWVEPMBSA-N	209.673	-0.137	50	10	BBGE	
CCn1nnnc1CNC(=O)[C@H](C)Cl	1956729284	NAYVZOJSUFRLNO-YFKPBYRVSA-N	217.660	-0.064	50	10	BBGE	
C=CCOc1ncc(B(O)O)cc1Cl	1956967509	DZCQQLOSDNUVNI-UHFFFAOYSA-N	213.429	-0.020	50	10	BBGE	
CCOC1(CN2CC(=O)OC(=O)C2)CC1	1957647552	SBQMKJNKAQZUEG-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
C[C@@H]1C[C@@H](CN2CC(=O)OC(=O)C2)CO1	1958073559	OYYXTKSKSSVOSA-SFYZADRCSA-N	213.233	-0.203	50	10	BBGE	
O=C1CN(c2nnco2)CCN1CCCl	1961464983	XKASEAGBKLBVDK-UHFFFAOYSA-N	230.655	-0.043	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1962096327	AABZGOITTGLPLA-WCTZXXKLSA-N	209.249	-0.767	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCCN(C)C	1974982993	IJRAZPDRVCWMMS-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CCOC[C@@H]1C(=O)NC	1976905573	XBVCLWBYXPGLRY-HTQZYQBOSA-N	248.710	-0.023	50	10	BBGE	
CN(C[C@@H]1C[C@]12CC2(F)F)C(=O)C(=O)NN	1981256770	NSXPDVSOVACJFH-XNCJUZBTSA-N	233.218	-0.520	50	10	BBGE	
OB(O)c1cccnc1N1CC(C(F)F)C1	1981424216	PZZDZQVTYLLVBQ-UHFFFAOYSA-N	228.007	-0.537	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCCC1CC1	1984101794	OFFOGJOAFJJRPQ-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](O)[C@@H](F)C1	1984121989	MVAQMIHFCYDMLX-WDSKDSINSA-N	241.213	-0.984	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cc(C(=O)NN)co1	1985740203	GOGXTEKHXDRMRQ-MUWHJKNJSA-N	225.248	-0.552	50	10	BBGE	
CO[C@@H](C)COc1nc(C)ccc1B(O)O	1986048944	KGCMIAZBDOZIEZ-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
CCCCOCn1nc(C)c(B(O)O)c1C	1987441655	MJKFUMXVEOMBTR-UHFFFAOYSA-N	226.085	-0.046	50	10	BBGE	
OB(O)c1cnc(SCCOC2CC2)nc1	1988939499	OIHRBGXDMRWZNF-UHFFFAOYSA-N	240.093	-0.573	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCc1cc(CO)n[nH]1	1991712238	FFEYJDYAVALMTK-OWOJBTEDSA-N	243.650	-0.160	50	10	BBGE	
CCC1(C(=O)Nc2ncc(B(O)O)cn2)CC1	1996644990	DICSFDZKBIQLOI-UHFFFAOYSA-N	235.052	-0.715	50	10	BBGE	
CCC(CC)CC(=O)N[C@@H](CB(O)O)C(=O)O	1998126501	TVINUKGZHAVRBC-QMMMGPOBSA-N	245.084	-0.145	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN([C@@H](C)CCC(=O)NN)C1	2000968038	RIVFWEIWXLLVDI-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](OCCO)C1	2001032293	WFCBOXYTGQXYOH-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2CC(C)(F)C2)n1	2003505961	LKXSNRNRNHBEMT-UHFFFAOYSA-N	241.270	-0.433	50	10	BBGE	
CC(C)NC(=O)[C@@H]1CCCN1[C@H](C)C(=O)NN	2003616629	JZEWUEMLHLYRTF-BDAKNGLRSA-N	242.323	-0.646	50	10	BBGE	
N#CC1(O)CCN(CC2(O)CCOCC2)CC1	2003639777	DGQVZGOVGLJNJS-UHFFFAOYSA-N	240.303	-0.122	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H](CCF)C2)nc1	2004913289	DHCCMCAFXUKBKR-MRVPVSSYSA-N	239.059	-0.658	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)c1ncc(B(O)O)cn1	2004916140	IKWLOYSYBLHHJC-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
OB(O)c1ccc(N(C2CC2)C2COC2)nc1	2004918179	IMESYPDZLUZGTP-UHFFFAOYSA-N	234.064	-0.871	50	10	BBGE	
COCCCN(C)c1ncc(C)cc1B(O)O	2005017668	IPSICWWPIKWOJJ-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
CCc1cccc([C@H](C)NC(=O)C(=O)NN)n1	2008868077	TXJVCTCMOMXGFB-ZETCQYMHSA-N	236.275	-0.189	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@H]2C[C@@H](N)C2)CC1	2011054151	NQCGTDZVQHEJPX-AOOOYVTPSA-N	237.303	-0.009	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@H]2COC[C@H]21	2013468823	QARZDCKHSWUSMK-CMPLNLGQSA-N	233.076	-0.803	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1C1(O)CC1	2013927269	KKQLMYQEDLTQDL-VIFPVBQESA-N	241.291	-0.857	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ncc(F)cc2B(O)O)CO1	2014930809	YJTDAIXRNVDHKV-POYBYMJQSA-N	241.027	-0.543	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2052470129	ZXBMNSXRAIJENU-LGMRYKSHSA-N	244.103	-0.148	50	10	BBGE	
CN(CCn1ccnc1)c1ncccc1B(O)O	2052498274	BJLNEJQYQBDZTA-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)CC1CN(C)C1	2052625044	WGAYYUURDAUZGB-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
C[C@H](Cn1cnc2c(B(O)O)ncnc21)C1CC1	2055737612	JYPGLGIEJRUHCH-SSDOTTSWSA-N	246.079	-0.448	50	10	BBGE	
CC=CC(=O)NNC(=O)CN1CCCC1=O	2059363810	MXUDWMHGFQRGBT-UHFFFAOYSA-N	225.248	-0.668	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)cc1F	2060168796	VMTBDOFCDSBKDN-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
CO[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1	2079008617	LJMSAKLHYXQCJY-MNOVXSKESA-N	249.075	-0.726	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079011079	YLKQUOYDFJITGR-VIFPVBQESA-N	244.059	-0.648	50	10	BBGE	
CC1(C)C[C@@]1(Cl)CNC(=O)C(=O)NN	2209946518	BFSFKXGTRVWWPN-MRVPVSSYSA-N	219.672	-0.500	50	10	BBGE	
CN1CC(N(C)C[C@H]2CC[C@@H]2C(=O)NN)C1	2211839780	YYMIANABSIIRPQ-SCZZXKLOSA-N	226.324	-0.752	50	10	BBGE	
C[C@@H](CO)SCC1(C(=O)NN)CCOCC1	2212445190	WUJQELKZQLKXDG-QMMMGPOBSA-N	248.348	-0.113	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](F)C[C@@H](O)C1	2213884002	LWFMIWCZRGBLAY-VHSXEESVSA-N	247.314	-0.059	50	10	BBGE	
C#C[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214593674	WKDRATXXBKNNCU-CYBMUJFWSA-N	229.088	-0.036	50	10	BBGE	
N#C[C@@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)CCO1	2215775047	FWJZPMVFUWJJDO-IVZWLZJFSA-N	238.291	-0.773	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CC1(C(=O)NN)CCCC1	2216873344	XLAQHLINYJRPLE-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)ccn2)CCCO1	2217176245	UDFJMYWWPBVXFC-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1ccc(NCC2(O)CCCC2)nc1	2217178782	ZQGNODKCIBLSHE-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
Cc1cnc(NCc2cocn2)cc1B(O)O	2217185432	XGRHYZATLANXEL-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
C#CCN(CC1CC1)c1ncc(B(O)O)cn1	2217201566	YTTFYPZBGANIQY-UHFFFAOYSA-N	231.064	-0.994	50	10	BBGE	
CCc1ncc(CNc2ncccc2B(O)O)[nH]1	2223631925	COJFUTCKFVPJIZ-UHFFFAOYSA-N	246.079	-0.341	50	10	BBGE	
Cc1cnc(NCc2ncoc2C)cc1B(O)O	2223648268	JGZBBLPSAAOKED-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cnc(N2CC[C@@]23CCOC3)cc1B(O)O	2223652097	GOECLDBXDUAKDF-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]1[C@H](O)CO	2241830373	KDFDBYYHZWQXMO-VGRMVHKJSA-N	219.668	-0.432	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1csc(B(O)O)c1	2243349614	NVTYZEVQOUDJFJ-QMMMGPOBSA-N	237.089	-0.124	50	10	BBGE	
N#CCCCNC(=O)c1ccsc1B(O)O	2243358278	FBMYXECWSNQCDQ-UHFFFAOYSA-N	238.077	-0.539	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]2C1	2243365405	MCIUMEUTGTVGHV-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)C1(B(O)O)CC1	2243366053	WUELYPOZIUAHGE-CSMHCCOUSA-N	227.069	-0.325	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC2CC1C2	2243377078	UMJMLGUGKULODE-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1csnc1B(O)O	2243378033	LMIRLDZSJVACFH-LURJTMIESA-N	238.077	-0.895	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N(C)C	2243380922	ANFFKDIXHZBNAP-XHNCKOQMSA-N	228.101	-0.694	50	10	BBGE	
CN(Cc1cnsn1)C(=O)[C@H]1C[C@@H]1B(O)O	2243383494	YWXWYAMLGZTRHA-BQBZGAKWSA-N	241.081	-0.641	50	10	BBGE	
N#CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2243392052	QSOKOBCVPVKKES-BDAKNGLRSA-N	222.053	-0.246	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)[C@@H]1C[C@@H]1B(O)O	2243396297	KKSGVOJULCOMMX-YIZRAAEISA-N	227.069	-0.608	50	10	BBGE	
O=C(NC1CCC(O)CC1)[C@@H]1C[C@@H]1B(O)O	2243396669	PHLAFVDRGYAXRS-YNTFGVKOSA-N	227.069	-0.731	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H](C(F)F)C1	2243396797	QURKSWXGTGGKQA-XVMARJQXSA-N	233.023	-0.037	50	10	BBGE	
CC[S@](C)(=O)=NC(=O)c1coc(B(O)O)c1	2243410020	UAEBUYWGJAQQJK-INIZCTEOSA-N	245.065	-0.783	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CC1)COC	2243410314	ZKNLSLKXPHRILK-QMMMGPOBSA-N	229.085	-0.218	50	10	BBGE	
C#CCN(CC#C)C(=O)C1CC(B(O)O)C1	2243413543	IHIKUHIJYOERDR-UHFFFAOYSA-N	219.049	-0.666	50	10	BBGE	
O=C(NCC[C@@H]1CCOC1)[C@H]1C[C@@H]1B(O)O	2243415582	YAGVJONOVMXWBN-VGMNWLOBSA-N	227.069	-0.608	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2243426593	IYPRPFRQJMKXOY-YIZRAAEISA-N	229.085	-0.364	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCC[C@@H]1C)B(O)O	2243434255	WHEOIKMATZCXGQ-VIFPVBQESA-N	247.125	-0.241	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)C1(B(O)O)CC1	2243767981	LRGDVEYFNYBPHZ-LURJTMIESA-N	227.025	-0.861	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)co1	2244206211	TUWMMPGUNOLXFH-QMMMGPOBSA-N	223.037	-0.416	50	10	BBGE	
C[C@H](CN1CCn2cncc2C1)C(=O)NN	2244395973	DSOFQAIZSSQXJH-MRVPVSSYSA-N	223.280	-0.675	50	10	BBGE	
CC1(C)CC[C@H]1C(=O)NCCC#CB(O)O	2244546830	RDWRZEIRDXRQRO-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F	2247747211	KLHRSFNOOVAXEZ-CSMHCCOUSA-N	243.018	-0.448	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)N1C	2247754230	CVPCWXVKKHOLTI-DTORHVGOSA-N	240.112	-0.456	50	10	BBGE	
CCCN(O)C(=O)c1cc(C)cc(B(O)O)c1	2247760442	IBORDYPMFQYXSZ-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]2C)cc1B(O)O	2247761324	STLIDGAYLGXREF-SECBINFHSA-N	233.076	-0.091	50	10	BBGE	
CC[C@H](C)CCNC(=O)c1cc(B(O)O)n[nH]1	2247784565	XIEPEHGTRAKSKU-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
CC(C)(C)C[C@H](O)CNC(=O)[C@H]1C[C@H]1B(O)O	2247798758	WXNRUKFLIBVMOY-XHNCKOQMSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCn2cccc2C1	2247800673	RISVIGFBPIFZKB-ZJUUUORDSA-N	234.064	-0.307	50	10	BBGE	
C[C@H](CCCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247804954	IXMDZGYADFLIKJ-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)C(=O)C#CB(O)O	2247841126	GBJJVRRYCABQKT-KNDBQHFLSA-N	233.076	-0.638	50	10	BBGE	
CCCOC[C@H]1CCCN1C(=O)C#CB(O)O	2247846522	HVURORSCBZRDPW-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CC[C@H]21	2247848649	ONARQHQNSIXQNQ-OIBJUYFYSA-N	234.064	-0.681	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1coc(B(O)O)c1	2247854246	ZGCJVXGIOLYYBU-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
CC1(C)CN(C(=O)C2(B(O)O)CCC2)C[C@H]1N	2247854784	IJRZKMWHENKEBS-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
Nc1cncc(CNC(=O)C2(B(O)O)CC2)c1	2247871869	IOFCZNMTPSKKAS-UHFFFAOYSA-N	235.052	-0.713	50	10	BBGE	
CC=CCNC(=O)c1cc(C)cc(B(O)O)c1	2247873058	CYBINHSUPSYZQP-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)cn1C)C(F)F	2247875430	YJEISEVUNYLGNP-YFKPBYRVSA-N	246.022	-0.912	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CN[C@H]1C2)C1(B(O)O)CCC1	2247878272	IXFJMJYTWIODPQ-VGMNWLOBSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1CO	2247895215	QBUCCNOHMVFMFR-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897431	SFSCQFUNZBJMDV-ZJUUUORDSA-N	234.064	-0.097	50	10	BBGE	
CC(C)(CC(N)=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247898228	BMUNSHGLBDNXFJ-KNVOCYPGSA-N	242.084	-0.990	50	10	BBGE	
O=C(O)[C@@H](CC1CC1)NC(=O)C1(B(O)O)CC1	2248577711	OPFBEWRQLRADIM-SSDOTTSWSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N(C(=O)C2(B(O)O)CC2)C1	2248586866	IIOIHYROTFJNTN-RQJHMYQMSA-N	241.052	-0.685	50	10	BBGE	
C=CCCCOc1ncc(B(O)O)c(OC)n1	2248941252	FLBSMPAAVYUXBP-UHFFFAOYSA-N	238.052	-0.490	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)C(C)C	2248969223	ZGTKPQNCVHLNCQ-UHFFFAOYSA-N	236.080	-0.450	50	10	BBGE	
Nc1ccc(F)cc1C(=O)NCC#CB(O)O	2249921414	MRYHNKUCKYJROF-UHFFFAOYSA-N	236.011	-0.847	50	10	BBGE	
C[C@]12CC[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255459252	DGVHHJHOPKEAIK-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]1c1ccccn1	2255468318	ZGSBPSKGXGVEMT-LLVKDONJSA-N	244.059	-0.240	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC[C@H]3C[C@@H]32)n1	2255493444	YZYRMFMEVSZNBT-WPRPVWTQSA-N	246.075	-0.696	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCC[C@@H]2CC[C@@H]21	2255546414	FFDVBGXMKOXCIC-APPZFPTMSA-N	249.079	-0.896	50	10	BBGE	
C[C@@H]1CCC=C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255550212	WSNGRBHDNZCUAJ-HTQZYQBOSA-N	249.079	-0.826	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1n[nH]cc1B(O)O	2255551796	BWOBXTXZGRVFGZ-ZKWXMUAHSA-N	249.079	-0.992	50	10	BBGE	
Cn1ccc2c1CN(C(=O)[C@H]1C[C@H]1B(O)O)CC2	2255581435	BHBJQHOAOBZCOB-VHSXEESVSA-N	248.091	-0.227	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1ccoc1B(O)O	2255677959	DJBGCUOCULWUTG-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ncccc1B(O)O	2255713687	FZPZMTZTJNSJNZ-LBPRGKRZSA-N	248.091	-0.320	50	10	BBGE	
CCC1CN(C(=O)c2cc(B(O)O)ccc2O)C1	2256010687	WBWFFGORYXKKNJ-UHFFFAOYSA-N	249.075	-0.446	50	10	BBGE	
C=CC1CC(N(C)C(=O)c2cocc2B(O)O)C1	2258128401	PHCFBKASFNKAGK-UHFFFAOYSA-N	249.075	-0.004	50	10	BBGE	
O=C(NCC=CB(O)O)c1nnn2ccccc12	2260732743	CWNDDFPOXCBMHH-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369025	GJJBVGJBNMASCX-RGOKHQFPSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298369316	QJGXRJIIWUYDSM-QEYWKRMJSA-N	241.096	-0.077	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371843	XPHMCBUHOVWTGA-SGIHWFKDSA-N	241.096	-0.410	50	10	BBGE	
NNC(=O)CCCCCCN1C(=O)CNC1=O	2300628710	VZCZFPDAKWKVGK-UHFFFAOYSA-N	242.279	-0.521	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@H]2CC[C@@H]3C[C@H]23)n1	2309544213	VLECRICEWMCDQF-YWVKMMECSA-N	247.107	-0.300	50	10	BBGE	
COCCOCCNC(=O)NC(=O)CCl	44728675	VSLOHLIEEDOGLQ-UHFFFAOYSA-N	238.671	-0.286	50	10	BBGE	
CC(C)C(=O)N1CCN(C(=O)NN)CC1	71519028	IQQQPTNATGXJAV-UHFFFAOYSA-N	214.269	-0.630	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccncc1	82467934	DXAUWBRGXINBLQ-QMMMGPOBSA-N	208.265	-0.108	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCn2ccnc2C1	82469254	OWWDBQOAGNVTRC-MRVPVSSYSA-N	223.280	-0.533	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCC[C@@H]1CO	82470387	FMJSRSJZHWYBCP-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CN1CCO[C@H]2CCCC[C@H]21	82470618	UIUQWDVYDWVASF-BDAKNGLRSA-N	213.281	-0.380	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)C(C)C	82470812	QVCCBQLKSOMJPO-SECBINFHSA-N	217.313	-0.296	50	10	BBGE	
C[C@H]1CN(CCC(=O)NN)CCN1C	82485306	XNDGGYKSUVZPGA-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
O=C1CCN(S(=O)(=O)CCl)CCN1	82513343	AMQTXKZYSLZJOZ-UHFFFAOYSA-N	226.685	-0.666	50	10	BBGE	
CC[C@@H](Br)C(=O)NC(CO)CO	83692299	FARWNXLTWYYYEJ-ZCFIWIBFSA-N	240.097	-0.371	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CCC(=O)NC1=O	84404810	LZUNCZIEAPKJAY-RITPCOANSA-N	232.667	-0.217	50	10	BBGE	
CC(C)(CCl)C(=O)NCCS(N)(=O)=O	84700450	OMODCVDMALMIJH-UHFFFAOYSA-N	242.728	-0.344	50	10	BBGE	
CC(C)CNC(=O)CCNC(=O)NN	163536003	PGQQVTRQELDTRY-UHFFFAOYSA-N	202.258	-0.678	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](CN)C1	216473991	OSBLSAFJKPPIBX-BDAKNGLRSA-N	214.313	-0.574	50	10	BBGE	
NCCCNC(=O)CI	223598476	ISMXMXFSVGHULD-UHFFFAOYSA-N	242.060	-0.114	50	10	BBGE	
CNNC(=O)[C@H](N)Cc1ccc(OC)cc1	259035478	KBKLYLARXCSIJA-SNVBAGLBSA-N	223.276	-0.184	50	10	BBGE	
CNNC(=O)Cc1ccc(S(C)(=O)=O)cc1	259061873	WUUWQSKFNVVQTF-UHFFFAOYSA-N	242.300	-0.117	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCS[C@H](C)[C@@H]1C	300000142	YRNYLCGGDCLCNR-DJLDLDEBSA-N	247.364	-0.183	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@](O)(CO)C1	306738833	BXTNJFQENCSHQN-XPUUQOCRSA-N	207.657	-0.431	50	10	BBGE	
COC1(C)CCN(CCC(=O)NN)CC1	308984609	GDJJYYPLSXZBEF-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)[C@H]1CC(F)(F)CN1C(=O)C1CC1	309176251	XLWMZOSDOOZOJX-ZCFIWIBFSA-N	233.218	-0.378	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)C(C)C	382635999	COJOGTCASWBIFW-UHFFFAOYSA-N	237.064	-0.031	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CCCCCC(=O)NN	385012645	QDBYNQYCVCYZEG-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
COC(=O)/C(C#N)=C1/NCC[C@@H]1C(=O)OC	390235299	KEDQRLMVYFTJFO-KRHCVIHDSA-N	224.216	-0.280	50	10	BBGE	
N#CCCc1ccc(/C=C/C(=O)O)c(B(O)O)c1	396137307	BZLYJWDRDODOBM-AATRIKPKSA-N	245.043	-0.080	50	10	BBGE	
N[C@H](Cc1nnc(CCCl)o1)C(=O)O	396443785	BNOLHOQRFJPVFO-SCSAIBSYSA-N	219.628	-0.195	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H](C)C[S@@](C)=O	399996818	XALBUBNHRLAIPA-ABFUHYCJSA-N	249.380	-0.300	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NCc1ccc(B(O)O)cc1	405018101	CPGSBAGZUYHLCD-GZMMTYOYSA-N	233.076	-0.361	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)c1cccc(B(O)O)c1	584968744	MZLZNIGWJHAKSP-GZMMTYOYSA-N	249.075	-0.726	50	10	BBGE	
CC(CO)(CO)CN1CCC(O)(C#N)CC1	686059304	FFAGFWPRVABWTH-UHFFFAOYSA-N	228.292	-0.672	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]1(C)CCOC1	687519720	OVLHXURBQZUWFC-WPRPVWTQSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN1CCC(O)(C#N)CC1)C(N)=O	692120051	HPZSMBPDAPLXBJ-MRVPVSSYSA-N	211.265	-0.542	50	10	BBGE	
CN(C)NC(=O)NC1CC(C(=O)O)C1	693356821	ZTZFHILVBBFZMZ-UHFFFAOYSA-N	201.226	-0.375	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC[C@H]1CCO	694926757	YGUFSFYCKQZGJF-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCc1cnccn1	703443008	GEAUOYIUSPDPJF-NXEZZACHSA-N	247.254	-0.065	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](C(F)F)C1	706418216	QYUBETQHFREICK-SCSAIBSYSA-N	207.180	-0.910	50	10	BBGE	
CN(Cc1ncno1)C(=O)NC(=O)CCl	706811356	SUWIORXIPSLILK-UHFFFAOYSA-N	232.627	-0.024	50	10	BBGE	
C[C@H]1[C@H](C)CN1C[C@@H]1CC[C@@H](C(=O)NN)O1	706917341	WXYLEUCMDLFWOS-KATARQTJSA-N	227.308	-0.136	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCO)CC1CC1	708571642	GJIQDPDXTLXGJT-JTQLQIEISA-N	229.324	-0.295	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)C(=O)NN)C12CCC2	713152818	KRPSZFKHLMGAHZ-NKWVEPMBSA-N	227.264	-0.950	50	10	BBGE	
COC(=O)/C(C#N)=C1/N(C)N=C(C)N1N	714523997	WUMAYCQHYCZJSM-SREVYHEPSA-N	209.209	-0.651	50	10	BBGE	
CN1C(=O)CCc2cc(B(O)O)cc(F)c21	716783403	CUCIBTTZPRELBX-UHFFFAOYSA-N	223.012	-0.586	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1C[C@H]2CCCN(C1)C2	718919023	VWULHPHLKGFAMN-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CC1(C(=O)NNC(=O)c2cnn[nH]2)CC1	760540412	QJLVBFOLGKNLHT-UHFFFAOYSA-N	209.209	-0.634	50	10	BBGE	
CCc1nc(C(=O)NNC(=O)CO)c(C)o1	807197619	CXCWGEHXVFFLAO-UHFFFAOYSA-N	227.220	-0.701	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846385852	DNNZPKFGMMEMHN-JQCXWYLXSA-N	242.275	-0.264	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)C(C)C)[C@@H]1CCOC1	854214436	YGKNJEGQZMDMCI-BDAKNGLRSA-N	244.291	-0.159	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	857171588	YSNGFRABBBKNCY-PRJMDXOYSA-N	212.249	-0.438	50	10	BBGE	
NC(=O)CN1C[C@H]2[C@H](Br)[C@H]2C1	886790925	QYZJBMNGKSSNCY-KCQQBQQISA-N	219.082	-0.203	50	10	BBGE	
NS(=O)(=O)C[C@@H]1CCN(C(=O)CCl)C1	888082450	XPUJSHILOVYDNU-ZCFIWIBFSA-N	240.712	-0.638	50	10	BBGE	
O=C(O)[C@H]1CCCN1Cc1cccc(B(O)O)c1	901452451	DSUYTWYVPWLHSP-LLVKDONJSA-N	249.075	-0.585	50	10	BBGE	
COC(=O)C1(C(=O)NNc2ccncn2)CC1	1141135757	WMMMWQURVJYXHV-UHFFFAOYSA-N	236.231	-0.127	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)C2(O)COC2)o1	1148698657	TTWZIZQPSBTGAF-UHFFFAOYSA-N	240.215	-0.890	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cnnc(O)c1	1163323806	VYZAMVUEWMUYNN-LURJTMIESA-N	226.236	-0.860	50	10	BBGE	
C/C(=C\C(=O)NNC(=O)CO)c1ccco1	1183078051	CVRJRXYGLKZCIA-FNORWQNLSA-N	224.216	-0.177	50	10	BBGE	
C[C@H](NS(=O)(=O)C(Cl)Cl)C(N)=O	1201807835	UKSREWBJCWVPAD-REOHCLBHSA-N	235.092	-0.459	50	10	BBGE	
CC(C)=CCNC(=O)NNC(=O)c1ncon1	1226279841	IBPPGUKSXMNLTD-UHFFFAOYSA-N	239.235	-0.020	50	10	BBGE	
CN(NC(=O)CCc1cnn(C)n1)C1CC1	1348979608	QVYIYBUCXJYARQ-UHFFFAOYSA-N	223.280	-0.127	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn2c1CCC2	1442130842	GTBRUDBKLVATJM-UHFFFAOYSA-N	223.236	-0.597	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC[C@@H](C(N)=O)C1	1464955050	URXJNACHVIISQS-XZZQCUQZSA-N	237.259	-0.236	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)Cc1ncc[nH]1	1616870407	LBWUNEDMGVRKLF-UHFFFAOYSA-N	248.246	-0.935	50	10	BBGE	
Cn1ncc2c(=O)n(C/C=C\C#N)nnc21	1656378542	SZEZTJUIKYULBW-IHWYPQMZSA-N	216.204	-0.395	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@@H]2CN1C[C@H](O)CCl	1877597229	GGKCSFGKJLNLMJ-FNCVBFRFSA-N	205.685	-0.101	50	10	BBGE	
O=C(O)C(=O)NC[C@H]1C[C@H]1Br	1880434157	NLYHPHZYKXONBW-QWWZWVQMSA-N	222.038	-0.029	50	10	BBGE	
CC1(C)[C@H](O)[C@H](O)CN1C[C@@H](Cl)C#N	1885616338	KEZWONZHHHHBRG-XLPZGREQSA-N	218.684	-0.067	50	10	BBGE	
O=C1NC(=O)[C@]2(CCN(C(=O)F)C2)N1	1887186415	NDVLXVWKEKXSDH-SSDOTTSWSA-N	201.157	-0.640	50	10	BBGE	
NC1(C(=O)NC[C@@H]2C[C@H]2Cl)CC(O)C1	1893109126	XHVHNKLYPJSCHH-MWHLNWJDSA-N	218.684	-0.418	50	10	BBGE	
O=C1NC2(CO1)CN(S(=O)(=O)CCl)C2	1893483361	NMPFBRJLLQPPQM-UHFFFAOYSA-N	240.668	-0.693	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)N[C@H](CB(O)O)C(=O)O	1894431476	IANZOBGMSNXFRQ-FSDSQADBSA-N	229.041	-0.925	50	10	BBGE	
C=C(CO[C@H]1CCOC[C@@H]1F)B(O)O	1895168936	FYJKBCCXOBCMON-YUMQZZPRSA-N	204.006	-0.302	50	10	BBGE	
CC(=O)NNC(=O)CSC1CC(C(=O)O)C1	1900386343	JUYVUWGNLNNVEQ-UHFFFAOYSA-N	246.288	-0.250	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	1901323800	NRMIQUOLBRJWLD-QCBRBAQYSA-N	227.308	-0.400	50	10	BBGE	
CN(NC(=O)[C@H]1NCCC1(C)C)S(C)(=O)=O	1901338721	BOTFSOXCCCEKDH-SSDOTTSWSA-N	249.336	-0.703	50	10	BBGE	
CC(=CCN)C(=O)NN(C)S(=O)(=O)C1CC1	1901343582	YEVPHAAWDAQOIY-UHFFFAOYSA-N	247.320	-0.653	50	10	BBGE	
O=C1[C@@H](F)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	1901657929	LQPGEHIUGAXMMC-ACZMJKKPSA-N	229.016	-0.664	50	10	BBGE	
CS[C@@H]1CC[C@@H]1Oc1ncncc1B(O)O	1905020876	VPNGEHRPFVSDNN-JGVFFNPUSA-N	240.093	-0.571	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC=C[C@@H]1CO	1909057271	SAXBXEPSMSSAJV-RKDXNWHRSA-N	213.281	-0.766	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2C[C@H]21	1916276163	OMUFNYSEQFNWKF-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
N#CC1=CCN(C[C@@H]2CCS(=O)(=O)N2)CC1	1917086142	DVUZKVADUKMSTN-JTQLQIEISA-N	241.316	-0.166	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C(=O)O1	1927812123	GCJHXODLOFFNIK-BYPYZUCNSA-N	223.179	-0.548	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H](O)[C@H]2C1	1931420281	TULKACAJMNEZCH-ACZMJKKPSA-N	225.697	-0.175	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]2(CCO2)C1	1932813205	XSQQOKPQEIAMHO-PSASIEDQSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CC[C@@H]2C1=O	1935428982	XWLNKCWRNIGENR-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CC(F)(F)C(=O)NN	1939642919	VWQSWLSZAQBGRA-NKWVEPMBSA-N	237.250	-0.686	50	10	BBGE	
Cn1cnc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)c1	1940785051	GSFJJIXGRXBKPN-IUCAKERBSA-N	235.243	-0.164	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](CO)C2(CC2)C1	1941088318	PPDUZZQYFQENFV-LPEHRKFASA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1CC[C@@H]2O	1941290924	LZSUNRWLEGTCCG-PRJMDXOYSA-N	249.261	-0.543	50	10	BBGE	
C[C@@H](C(=O)N1CCC1)N1CCC(O)(C#N)CC1	1942101743	NCJKKSXWKXPVLC-JTQLQIEISA-N	237.303	-0.042	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)C[C@H]1COC	1944295250	HRDVVSOLFCEELV-UTLUCORTSA-N	245.323	-0.794	50	10	BBGE	
CC[C@@H]1COCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1948697862	YRHXREZYEBRMNQ-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2CNCCOC2)CC1	1949252220	GIWTYNNBUSFFLG-NSHDSACASA-N	239.319	-0.427	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@@H]2C[C@H](O)C3)CC1	1949277478	PPHJIGKCYUGXAT-MYJAWHEDSA-N	239.319	-0.256	50	10	BBGE	
O=C(c1cncnc1)N1CC[C@@H](B(O)O)C1	1951320985	VFUDFDWWYDYOMY-MRVPVSSYSA-N	221.025	-0.835	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@@H]2C[C@H]2CCl)N1	1955100519	SLXQJFCJNBSITA-XLPZGREQSA-N	238.740	-0.105	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(C[C@@H](O)CCl)C1	1956310986	ZJXBLRADGUEWLU-HRDYMLBCSA-N	223.700	-0.332	50	10	BBGE	
CCC[C@H]1CCOCCN1CC(=O)NN	1960643882	HWAUNLSBXOUUCN-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]2COCC[C@H]21	1961288672	MLOOSEWDFLZQBL-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3C[C@H]3C2)nc1	1961680085	PDLQDHCPEQPMOH-YUMQZZPRSA-N	204.038	-0.783	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1[C@H](C)CC(=O)NN	1981411007	GHECBWMBFRIMFV-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
CSC[C@@H](C)N(C)c1ncccc1B(O)O	1981424637	WPFMVDPPBAAGTC-MRVPVSSYSA-N	240.137	-0.051	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)c1nc(B(O)O)cs1	1981468495	CUGCCJREKZTPOM-YFKPBYRVSA-N	248.063	-0.086	50	10	BBGE	
CC1(C)CN([C@H]2CCN(CC(=O)NN)C2)C1	1983411908	RKMKYVAUGRUMLO-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990039980	XWQMCHLZQYOCJA-GUBZILKMSA-N	229.324	-0.154	50	10	BBGE	
CC12CCOC(CNC(=O)C(=O)NN)(C1)C2	1990101800	FTNPODANQCWUKD-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
O=C(O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2Cl)C1	1991692919	KISBHCNCDWSQML-RNJXMRFFSA-N	246.694	-0.111	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H]2COC[C@@H]21	1992339358	TUAOFWBMHJBGTG-BBBLOLIVSA-N	227.308	-0.134	50	10	BBGE	
COCCSC[C@]12C[C@](C(=O)NN)(CO1)C2	1993884538	VHOXCIUZFPUULJ-MGCOHNPYSA-N	246.332	-0.095	50	10	BBGE	
CC[C@H](C)CC(=O)Nc1ncc(B(O)O)cn1	1996646103	BCTYGSCSYOXOBW-ZETCQYMHSA-N	237.068	-0.469	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1997252988	AKSZNXYSLCUALW-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
CCCCCOC(=O)N[C@@H](CB(O)O)C(=O)O	1998131548	WFBGBVPOOQHWFM-ZETCQYMHSA-N	247.056	-0.171	50	10	BBGE	
CCCNC(=O)C1CN([C@H](CC)C(=O)NN)C1	2002654937	ZAXXDAWUNFCGOQ-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CCC[C@H]1CCCN1c1ncncc1B(O)O	2004918855	QVLBWTBNFGJUSE-VIFPVBQESA-N	235.096	-0.075	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]21	2004919256	WOHOETSPWGFWSZ-UJNFCWOMSA-N	233.080	-0.609	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC(C)(F)C2)n1	2005016104	KUMDJQWTQGOMQU-UHFFFAOYSA-N	239.059	-0.679	50	10	BBGE	
CN(C)CCCOc1ccc(F)c(B(O)O)c1	2005063314	PLBHCWLRVGLZAX-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
NNC(=O)CCCO[C@H]1C[C@@H](n2cncn2)C1	2012114152	WMTDSVPMDGGWRE-DTORHVGOSA-N	239.279	-0.232	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC[C@H]2C[C@H]21	2016497260	OIYKAQFLAGRESB-XHNCKOQMSA-N	234.064	-0.419	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCOC2(CCC2)C1	2020649492	FNOBFCHTGFIMLK-MRVPVSSYSA-N	241.291	-0.464	50	10	BBGE	
C[C@]12CC[C@H]1CN(c1ncncc1B(O)O)C2	2026850616	XVPIAROCHWFMTE-GZMMTYOYSA-N	233.080	-0.607	50	10	BBGE	
NNC(=O)C(=O)NCc1cnc2ccccc2c1	2038306836	QZUOYETYDYPONU-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3C[C@H]2CO3)c1B(O)O	2052470323	CBFJXMOQCBZFGW-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
Cc1cnc(N2C[C@@]3(C)C[C@H]2CO3)c(B(O)O)c1	2052623739	ASTJWDBMBPGLIK-JOYOIKCWSA-N	248.091	-0.563	50	10	BBGE	
CN1C[C@H]2CC[C@H]1CN2c1ncccc1B(O)O	2066590602	QMLRCDVVZAQWQR-VHSXEESVSA-N	247.107	-0.956	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2COCC[C@@H]21	2073044460	WYVKANPGXXQCQV-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1ccc(B(O)O)cn1	2086408906	MYFDBDSRXPDKAQ-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
CN(N)C(=O)c1nn(C)nc1Br	2209023405	PGFPVZBHVLHWPK-UHFFFAOYSA-N	234.057	-0.477	50	10	BBGE	
OB(O)c1csnc1CN1CC2CC(C2)C1	2211135505	JDWDLJGFQUZEGH-UHFFFAOYSA-N	238.121	-0.335	50	10	BBGE	
CC(C)OCCOCc1nscc1B(O)O	2211137452	GPLCBOYAIJVHJL-UHFFFAOYSA-N	245.109	-0.236	50	10	BBGE	
OB(O)c1csnc1COC[C@H]1CCCO1	2211137823	LPQSSBWVRQGDTR-SSDOTTSWSA-N	243.093	-0.482	50	10	BBGE	
C[C@H](O)CN(C)Cc1cccc(B(O)O)c1	2211139145	BUYYXJQGZUQYNK-VIFPVBQESA-N	223.081	-0.821	50	10	BBGE	
C[C@@H]1COC[C@@H]1OCc1nscc1B(O)O	2211140035	KWKOYLSGDZACQA-MUWHJKNJSA-N	243.093	-0.626	50	10	BBGE	
CN(C)[C@H]1CN(CCC(=O)NN)CC12CC2	2211494091	YZQNWYRDSOCJEE-VIFPVBQESA-N	226.324	-0.608	50	10	BBGE	
NNC(=O)C1(CN2CCCS2(=O)=O)CCC1	2212266860	RGUWEIHRSFFUFL-UHFFFAOYSA-N	247.320	-0.818	50	10	BBGE	
CCNC[C@@H](C)Oc1ccc(B(O)O)cn1	2212608636	KJIRNMGGDDRSMK-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
C[C@@H]1C[C@@H]1CCN=c1cc(B(O)O)cc[nH]1	2212610301	GOPBJRVBBUGWOJ-BDAKNGLRSA-N	220.081	-0.359	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)C(C)(C)N	2212612963	KXTISWPTPPCLEX-ZETCQYMHSA-N	224.069	-0.734	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1cccc(B(O)O)c1	2214605462	LOAGKLIBXXPRDA-JOYOIKCWSA-N	235.092	-0.679	50	10	BBGE	
CC(C)(COC[C@]1(C)COCCO1)C(=O)NN	2216072706	JDWGOXJDPHDOEB-NSHDSACASA-N	246.307	-0.175	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	2216540606	QCXYXSYXSVYSNS-AYMMMOKOSA-N	233.080	-0.609	50	10	BBGE	
C[C@@H]1CC[C@@H](CN=c2ncc(B(O)O)c[nH]2)C1	2217172069	HNQCCDQMDIVDGY-RKDXNWHRSA-N	235.096	-0.574	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1ncccc1B(O)O	2217177233	HBRUKPLFJSLGMU-LLVKDONJSA-N	230.076	-0.391	50	10	BBGE	
CC[C@H](CO)N(C)c1nccc(B(O)O)c1F	2217180383	HAUIIYVCBKQRFX-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1CNC12CCC2	2217182434	AQURTHFDLIHYFW-VIFPVBQESA-N	234.064	-0.965	50	10	BBGE	
CC(C)(N)C(C)(C)Oc1ncccc1B(O)O	2217184165	NQGFNYCOVQWIBO-UHFFFAOYSA-N	238.096	-0.344	50	10	BBGE	
CC1(C)CN[C@H](CNc2ncccc2B(O)O)C1	2223635470	XOZWVKWRFSLUKN-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
Cc1cnc(N2[C@H]3CC[C@H]2COC3)cc1B(O)O	2223639150	AUYAZUJAZSNMRM-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
OC[C@@H]1[C@H]2CC[C@@H](C2)N1c1ncccc1B(O)O	2223642072	FSXUGCRPRHVKDX-ATZCPNFKSA-N	248.091	-0.889	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCNCC23CC3)nc1	2223644087	DRBSBFYGZRLGHS-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
CC[C@H]1CCNC[C@H]1Nc1cc(B(O)O)ccn1	2223665913	GDIXXMJWWXSOHR-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
O=C(NCCF)c1c(F)cccc1B(O)O	2243367185	PDIGEIFJOVFNJH-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC(F)(F)C1	2243375724	XQUYJOGFKYHIPJ-UHFFFAOYSA-N	247.031	-0.481	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)C1CC(B(O)O)C1	2243390897	CTQRVANPSQFHAB-UHFFFAOYSA-N	223.041	-0.668	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCC[C@H]21)C1(B(O)O)CC1	2243397929	LLVYKYHPFLPUEX-RNJXMRFFSA-N	225.053	-0.713	50	10	BBGE	
CCN[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243399322	YVTQTGHUQUHBDH-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ccsc1B(O)O	2243408164	IILGGKOIFWFBSB-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CC2)[C@@H]1O	2243409337	GESJYGCSEGKTIR-BQBZGAKWSA-N	227.069	-0.731	50	10	BBGE	
C=C(C)CNC(=O)c1c(C)nsc1B(O)O	2243415506	WOQUPVUBRNPOJE-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
CO[C@H](C)CSc1ncnc(C)c1B(O)O	2243665788	VWHLPELBKODSMB-ZCFIWIBFSA-N	242.109	-0.408	50	10	BBGE	
C=CCN(OC)c1ncc(B(O)O)cc1F	2244272793	WXDVYMYQOXEKCC-UHFFFAOYSA-N	226.016	-0.546	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)o2)C1	2247739787	BLGVRXIFWXLCSK-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H](F)C1	2247740896	RERMKEXGJQACCM-QMMMGPOBSA-N	240.043	-0.731	50	10	BBGE	
O=C(NCC1CC(F)C1)c1ccoc1B(O)O	2247742873	VNNAPJLIBXDJKY-UHFFFAOYSA-N	241.027	-0.563	50	10	BBGE	
CC[C@@H](NC(=O)c1ccc(B(O)O)o1)C(F)F	2247746906	GCCIAZPAWQMENJ-RXMQYKEDSA-N	247.006	-0.267	50	10	BBGE	
Cc1ccc(CNC(=O)C2(B(O)O)CC2)nn1	2247759255	ZIRZHZNWWDHLPF-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2CCO[C@@H]2C1	2247789793	BNCJSYMORBNSGV-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
CCN(CC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2247846170	BASODPKLXMIJJZ-UHFFFAOYSA-N	236.080	-0.433	50	10	BBGE	
CC[C@@H](CNC(=O)c1ccc(B(O)O)o1)OC	2247851661	IADPVUURULDJPY-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
Cc1ccnc(CNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2247852449	USZGDTITBVMAMQ-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
O=C(N[C@H]1CN2CCC1CC2)C1(B(O)O)CC1	2247855898	ZUAFJRWHHPUUSG-VIFPVBQESA-N	238.096	-0.796	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1CCCC1	2247868635	HHWMAPSHAZAKAU-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(C)ccc1B(O)O	2247875586	YRUJRUKADDMMJK-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
CCN(C)C(=O)c1cc(OC)ccc1B(O)O	2247875702	ATXUATOJIMDBRR-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1C(=O)C1(B(O)O)CCC1	2247877891	KBDRLQUDLXKCQP-BDAKNGLRSA-N	240.112	-0.278	50	10	BBGE	
Cc1nn(C)cc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895122	OVLUNCJSULAUNN-BDAKNGLRSA-N	237.068	-0.792	50	10	BBGE	
CCCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCOC1	2247896282	GCZAIAIHEMCABD-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CN1C[C@@H](CN2CCC(B(O)O)CC2)OC1=O	2249353497	IZBODJGZZNMMIN-VIFPVBQESA-N	242.084	-0.624	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1cc(B(O)O)co1	2249418032	NZNRZOQGPMZXKC-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1cc(B(O)O)co1	2249418466	UOPCOKQCQWJJKS-HTQZYQBOSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H]1CCCN1	2249943836	KBSBWYJEQVAYEZ-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]1C(F)(F)F	2249999244	SZZZMSLYCLANRO-NKWVEPMBSA-N	248.997	-0.294	50	10	BBGE	
Cc1ccc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]n1	2252828843	YZIPENBJMSQFKC-ZKCHVHJHSA-N	235.052	-0.602	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1coc(B(O)O)c1	2255454795	RYFMXHVRXWBGJL-JOYOIKCWSA-N	249.075	-0.121	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C(C)C	2255503528	LSASDLNUWFYCJG-SECBINFHSA-N	248.091	-0.500	50	10	BBGE	
O=C(NC[C@H]1[C@H]2CCC[C@H]21)c1cc(B(O)O)c[nH]1	2255679017	FAYLHKRZGZKZHW-ILWJIGKKSA-N	248.091	-0.530	50	10	BBGE	
C#C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1C	2255679276	TWGUVABNHIJPHH-JTQLQIEISA-N	245.087	-0.231	50	10	BBGE	
O=C(NC(C1CC1)C1CC1)c1occc1B(O)O	2255686656	UWBRUEGGQUTNJQ-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1cocc1B(O)O	2258127175	IILGWCLSJGNTQC-CIUDSAMLSA-N	249.075	-0.265	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C[C@H]1C[C@H]1C(=O)NN	2298004439	GAWFNHVCGMKDLJ-CDPPZIPSSA-N	239.319	-0.542	50	10	BBGE	
O=C(NC[C@H]1C[C@@]12CCOC2)[C@H]1C[C@H]1B(O)O	2298375697	WDOQXQFEFOAYAF-PKIKSRDPSA-N	239.080	-0.608	50	10	BBGE	
C[C@@H](N)CCOc1ccc(C=O)c(B(O)O)c1	2301422344	GOPBUMMYPBEDFQ-MRVPVSSYSA-N	237.064	-0.705	50	10	BBGE	
N#CC12COC(CN3CC[C@@H](B(O)O)C3)(C1)C2	2303101521	KPXYOUVNCBSUHP-KPPDAEKUSA-N	236.080	-0.392	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)C[C@@H]2CCOC2)C1	2303110925	FHOFZXZWXMZECU-ONGXEEELSA-N	241.096	-0.122	50	10	BBGE	
CN(C)C(=O)CCCN1CC[C@](C)(B(O)O)C1	2303131878	DDFMXQFEEHQPRZ-NSHDSACASA-N	242.128	-0.206	50	10	BBGE	
N[C@@H]1CCC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303852319	LDHSAXHQQPEABX-BDAKNGLRSA-N	240.043	-0.841	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1c[nH]nc1B(O)O	2312860243	INAVGXOZNVUITM-FJXKBIBVSA-N	249.079	-0.992	50	10	BBGE	
CN[C@@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2317811237	KSMGSSFSSDKQLJ-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1CN(C)C	82468623	XBVSTBUUHWNTGL-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
CCc1nc(CC)n(CCC(=O)NN)n1	84066044	JGOVGKVDHUNHAO-UHFFFAOYSA-N	211.269	-0.217	50	10	BBGE	
C[C@H](CO)CNS(=O)(=O)CCl	84901615	VYQZOXPGYFEEJQ-YFKPBYRVSA-N	201.675	-0.270	50	10	BBGE	
CC1(O)CN(CC(=O)NNc2ccccn2)C1	89647576	LNKKREGFLYBAEZ-UHFFFAOYSA-N	236.275	-0.409	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COC[C@@H]2CCOC2)O1	110566891	ZKBJCHPAMBYCKP-KXUCPTDWSA-N	244.291	-0.423	50	10	BBGE	
CCCN(CCO)C[C@H]1CC[C@H](C(=O)NN)O1	110588541	UHWTZSYWCDLZHC-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
COC(CNC(=O)C(=O)NCCCl)OC	170359837	HQWGLYCDKMDTMZ-UHFFFAOYSA-N	238.671	-0.924	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\NCCC#N	216565107	RZELQNJEEUDVKV-HJWRWDBZSA-N	222.248	-0.340	50	10	BBGE	
CCCN(C1CC1)[C@@H](COC)C(=O)NN	232419126	RNHBWHPAIZNOQG-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1cncc(C(F)(F)F)c1F	238636281	HZPOHDYRBKMGHA-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)C(=O)NN	250352356	AUGDGKLCCMBSFJ-CIUDSAMLSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)Cc1ccc2[nH]c(=O)oc2c1	258949465	DSPMHMVYSFPVKK-UHFFFAOYSA-N	207.189	-0.347	50	10	BBGE	
N#C[C@]1(O)CCn2cnc([N+](=O)[O-])c2C1	259839288	MMMFQFHAOPBDJN-QMMMGPOBSA-N	208.177	-0.008	50	10	BBGE	
N#CC1=CS(=O)(=O)C(CNC2CC2)=N1	259966612	GWMWPLFTLQPJTH-UHFFFAOYSA-N	211.246	-0.070	50	10	BBGE	
C[Si](C)(C)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O	306554302	BKVGDLRCZNMWCW-ULAWRXDQSA-N	222.313	-0.723	50	10	BBGE	
Nc1cc(B(O)O)c2ccsc2c1O	307055616	UJURHBYYVFDZIM-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H]1O[C@H](OCCCl)[C@H](O)[C@@H](O)[C@H]1O	307576820	NVKRALSJYXPFIY-ZXVYDBTHSA-N	226.656	-0.931	50	10	BBGE	
OB(O)c1ccc(F)c(C2CCNCC2)c1	309197889	VJBABMSHFPUGIN-UHFFFAOYSA-N	223.056	-0.028	50	10	BBGE	
CO[C@H](C)CN(C)Cc1ccccc1B(O)O	310217338	LWQBAXGXLXKIIG-SNVBAGLBSA-N	237.108	-0.167	50	10	BBGE	
Cc1cnn(CCOc2cncc(B(O)O)c2)c1	310822335	DMAAJGTXPNLPTE-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
CC1(O)CN(CCC(C)(C)C(=O)NN)C1	395594510	OZWQQBWNDXNBBX-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
CC(=O)[C@@H](Cl)c1cccc(B(O)O)c1CO	396047064	BDOAZMDJHICFDU-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
N#Cc1ccc(B(O)O)c2c(CO)csc12	396222385	NHTJDLBXNZHAQP-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
OCc1cc2c(B(O)O)csc2cc1O	396352035	YAMQABULJARTSX-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@H](N=C=O)CN(S(=O)(=O)N(C)C)C1	398799417	AQVXGUUNOKBEDR-BDAKNGLRSA-N	247.320	-0.161	50	10	BBGE	
Cn1cc([C@@H]2OCC[C@H]2C(=O)NN)cn1	399712032	AMGZTQSFJYLTGV-SFYZADRCSA-N	210.237	-0.512	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C	584991595	CYDUETJWOARJIO-RKDXNWHRSA-N	233.076	-0.153	50	10	BBGE	
CON[N+](=O)[C@H](Br)C(=O)N(C)C	585087272	IXHJYLFSKOPHNE-BYPYZUCNSA-N	241.065	-0.360	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCSCC1	685958366	XKCODTUWRSYEKF-UHFFFAOYSA-N	225.264	-0.340	50	10	BBGE	
CS/C(C[N+](=O)[O-])=C(/C#N)C(N)=O	687760406	BRMDKKRVFBWVGZ-PLNGDYQASA-N	201.207	-0.111	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]3C[C@@H]3C2)O1	699268588	JDIRPVWEHNFDFT-ZDCRXTMVSA-N	239.319	-0.134	50	10	BBGE	
CN1CCN(c2nnnn2C)[C@H](CCl)C1	699466037	ZSKGTMGUKUFQNC-SSDOTTSWSA-N	230.703	-0.431	50	10	BBGE	
Cc1cn(Cc2ccc(B(O)O)cc2)c(O)n1	699563482	IRQWWEIDCRPFFH-UHFFFAOYSA-N	232.048	-0.375	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@]12COC[C@H]1C2	703444249	NVPQAQBZCUZCJN-MFYTUXHUSA-N	237.255	-0.061	50	10	BBGE	
OCC1(CO)CCN(CCOCCCl)C1	703723642	DNWXGFCVABRCHA-UHFFFAOYSA-N	237.727	-0.082	50	10	BBGE	
CN(N)C(=O)[C@@H]1CCCN1C(=O)C1CC1	704706999	QYRAUWBNPGSGDS-QMMMGPOBSA-N	211.265	-0.281	50	10	BBGE	
CN(Cc1ccccc1)C[C@H](N)C(=O)NN	705396686	CKIXSXNQWPSKCI-JTQLQIEISA-N	222.292	-0.564	50	10	BBGE	
C[S@](=O)N1CCc2c(B(O)O)cccc21	712220064	UEQSTCQTVTXHOW-HNNXBMFYSA-N	225.078	-0.978	50	10	BBGE	
CCn1cc(CN(C)C(=O)C(=O)NN)c(C)n1	716413922	OKJBGMQRKHKCDX-UHFFFAOYSA-N	239.279	-0.840	50	10	BBGE	
OB(O)c1cccc(F)c1OCC[C@@H]1CO1	718545299	FXWMVMSNZSKIPO-SSDOTTSWSA-N	226.012	-0.327	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C(C)(C)O)C1	721785072	QIHZZOJGXQUUPD-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](C(=O)NN)N1C2CCC1(CO)CC2	723022609	PTALBVLGAWXHMQ-ZNFPMYQNSA-N	213.281	-0.646	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1cnn2cccnc12	785460104	FRHJYFNXCBJBJZ-UHFFFAOYSA-N	247.258	-0.050	50	10	BBGE	
CCO[C@H](C(=O)NNC(C)=O)C1CCOCC1	864427812	XWEFQCNHGOSISD-JTQLQIEISA-N	244.291	-0.015	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCCN(C)C1=O	899925816	BJZHSFRPFSFIAT-SSDOTTSWSA-N	213.237	-0.978	50	10	BBGE	
CC[C@@H](C(=O)NNC(=O)c1ncon1)N(C)C	1157784415	YVSPVSBNRUPZMT-LURJTMIESA-N	241.251	-0.829	50	10	BBGE	
C=CCC1(C=NNC(=O)C(N)=O)CCOCC1	1261894040	JQHSIJLESOINDI-UHFFFAOYSA-N	239.275	-0.053	50	10	BBGE	
O=C(CCCCl)N1C[C@H](O)C[C@@H](O)C1	1886139139	SJMOLUSRAZPWDY-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
CC[C@H](NC(=O)C=CC(=O)Cl)C(N)=O	1893410060	FAQSHDGHCRDAHG-YFKPBYRVSA-N	218.640	-0.312	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H]2C[C@H]1CN2CC	1896279664	JMKXLWNQUACKSL-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(C(=O)OCCl)C[C@H]21	1900557825	HUTKGDKXMDDCCD-FPFOFBBKSA-N	218.640	-0.018	50	10	BBGE	
CN(NC(=O)[C@H]1N[C@H]2CC[C@H]1C2)S(C)(=O)=O	1901377959	VDPBOFNNDHTGGD-FXQIFTODSA-N	247.320	-0.951	50	10	BBGE	
CNC(=O)Nc1cc(F)c(B(O)O)c(F)c1	1901998831	AAYVUONLLVZCJT-UHFFFAOYSA-N	229.979	-0.604	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@@H]2CCS(=O)(=O)C2)C1	1902530470	ZDXUOFWDFROJDH-RKDXNWHRSA-N	247.125	-0.888	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1CF)c1ccc(B(O)O)cn1	1909569030	GYWNXVCEWZUEJD-BDAKNGLRSA-N	238.071	-0.197	50	10	BBGE	
O=S(=O)(NCCCl)N1CCC[C@@H](O)C1	1914129738	KZUKKRINDZJEDL-SSDOTTSWSA-N	242.728	-0.484	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1(CO)CCC1	1915005101	SLOGACLHGGMTBF-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@H]1CCNC1=O	1916211558	GRIDKARLESNTFT-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
O=S(=O)(NC[C@H](Cl)CF)C1COC1	1923229805	AFQQAXMXCOMTAX-RXMQYKEDSA-N	231.676	-0.119	50	10	BBGE	
OB(O)CNCc1ncc(Cl)s1	1923810948	RRNQJRZGUYVDGS-UHFFFAOYSA-N	206.463	-0.102	50	10	BBGE	
CCOCCN(C)C[C@H]1C[C@H]1C(=O)NN	1927912763	AICXCUPNHAJFOH-RKDXNWHRSA-N	215.297	-0.419	50	10	BBGE	
ClC[C@@H]1CCN1CCn1cnnn1	1929722751	ACBMJFXYIGQYAE-ZETCQYMHSA-N	201.661	-0.014	50	10	BBGE	
O=C(CCOCC(F)F)NNCCO	1929835263	PNEUMTMJKMRNKU-UHFFFAOYSA-N	212.196	-0.729	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1COC[C@@H]1O	1933389150	LHUWOFVUDLEVMB-BQBZGAKWSA-N	243.712	-0.848	50	10	BBGE	
C[C@H]1COC[C@H](C)N1CC(F)(F)C(=O)NN	1935943763	GQJPBPDSBAEWFB-BQBZGAKWSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccnc1[N+](=O)[O-]	1936094902	RFUQHSYKVMTQHI-RITPCOANSA-N	225.208	-0.583	50	10	BBGE	
NNC(=O)CCN1C[C@]23CC[C@@]2(COC3)C1	1937254906	RIEUTMFNCJBAGT-QWRGUYRKSA-N	225.292	-0.521	50	10	BBGE	
CO[C@H](C)[C@@H](N)C(=O)N1CCC(O)(C#N)CC1	1940578731	RNNHEOZYDAUSPB-RKDXNWHRSA-N	241.291	-0.774	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1CCOCC(=O)NN	1941784326	NLDHSGAKLTZYGF-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](C2CC2)[C@@H](O)C1	1943083701	PDLZQQOKYPSOAD-ZDCRXTMVSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H]2CO)c1	1944080607	RCNULFUBWOEVQF-LLVKDONJSA-N	235.287	-0.143	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](O)CCC1(C)C	1950220051	IUQZZFOAGNDAFG-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
C[C@H]1CCCC[C@@H]1NC(=O)NCB(O)O	1951321827	IMIFXKPUIGIVIR-YUMQZZPRSA-N	214.074	-0.124	50	10	BBGE	
CC(=O)N[C@@H](C=CC=O)CS(C)(=O)=O	1951356399	QGEBWMHOAHVHSV-QMMMGPOBSA-N	219.262	-0.709	50	10	BBGE	
CC1(C)C[C@H](C(=O)NNCCO)CO1	1955400560	BRYWCHKMESXJMG-ZETCQYMHSA-N	202.254	-0.585	50	10	BBGE	
C[C@H](CN(CCO)[C@@H]1C[C@H]1C)C(=O)NN	1958270162	QLEREBXVCVVVCV-IWSPIJDZSA-N	215.297	-0.685	50	10	BBGE	
CC1CC([C@H](C)N(C)C(=O)C(=O)NN)C1	1959136766	JCKPGYVVBOVCCV-WTIBDHCWSA-N	213.281	-0.131	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](O)C(C)C	1960661979	AXYLDTFRMAZOIO-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
CC[C@H](C)Oc1ncnc(C)c1B(O)O	1961694773	SVQAALNBVZLEDR-LURJTMIESA-N	210.042	-0.358	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C[C@H]21	1975086246	CBCZLZYRFFTYIR-JQCXWYLXSA-N	213.281	-0.790	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	1976399288	QLQSFNKDIFMFEJ-FHNUBNKASA-N	225.292	-0.669	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@@H]1C(F)(F)F	1977342636	CDAHNRONXQTEAO-RXMQYKEDSA-N	239.197	-0.080	50	10	BBGE	
CC(C)[C@H](O)CN(C)CC(C)(C)C(=O)NN	1979849588	PXUFUEOELUUZFW-SECBINFHSA-N	231.340	-0.049	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1CCN(C2COC2)CC1	1980644750	CVSXWZCMGUNCLB-VIFPVBQESA-N	248.710	-0.305	50	10	BBGE	
NNC(=O)C(=O)N1CCCc2ncccc21	1980914975	YYWYZVXQHASKFH-UHFFFAOYSA-N	220.232	-0.649	50	10	BBGE	
Cn1cc([C@@H]2CCN(CC(=O)NN)C2)cn1	1981087391	ALRVJBHQWHVRSP-MRVPVSSYSA-N	223.280	-0.801	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(c2ncc(B(O)O)cn2)C1	1981409079	IOGYPTBEROLQOL-HTQZYQBOSA-N	221.069	-0.609	50	10	BBGE	
CS[C@H]1CCN(c2ncccc2B(O)O)C1	1981423265	BGEDWNXLAANGEZ-QMMMGPOBSA-N	238.121	-0.297	50	10	BBGE	
OB(O)c1csc(-n2ccnc2C2CC2)n1	1981464936	ILXLSTWGPCWICE-UHFFFAOYSA-N	235.077	-0.114	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]1F	1982806269	URVTWVDLJVSKLN-DTWKUNHWSA-N	223.012	-0.337	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CC[C@@H]2O)C1	1984542246	IUNWNXCZDIDYEX-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2CF)n1	1986084923	QIAXANPVQAJYGD-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
C[C@H](F)CN1CCN([C@@H](C)C(=O)NN)CC1	1988564483	KYEXOUQIMDIBHV-IUCAKERBSA-N	232.303	-0.660	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]1C(C)(C)O	1989119590	UQZLWSRPDJKEJE-CIUDSAMLSA-N	229.324	-0.154	50	10	BBGE	
CO[C@@H]1C[C@@H](NC(=O)C=CC(=O)Cl)C[C@@H]1O	1991650362	MZSSRIBSTSIATI-BIIVOSGPSA-N	247.678	-0.038	50	10	BBGE	
C=C(CN1CC[C@H]2[C@@H]1CCCN2C)B(O)O	1992152707	HRIRTJXCQIJXEI-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992153236	MHIVPMAFGAKNPQ-RGOKHQFPSA-N	221.065	-0.590	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC=C1CCC1	1993500135	KBZJCDGCRUMFKK-UHFFFAOYSA-N	219.049	-0.362	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CC(F)(F)C(=O)NN)C2	2001040046	KAYIHWYNIQFSAM-APPZFPTMSA-N	249.261	-0.420	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	2001046203	NAIACFRFXUNLKH-ADEWGFFLSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H]1CCN(c2ncncc2B(O)O)[C@H]1C	2004912740	XOELVIYJJLPZJW-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
CC(C)N(CC(F)F)c1ncc(B(O)O)cn1	2004921281	UIBYSIXQNRQJKH-UHFFFAOYSA-N	245.038	-0.364	50	10	BBGE	
CC[C@@H](COC)Oc1nc(C)ncc1B(O)O	2004930567	USXMJTCAFFKFMF-QMMMGPOBSA-N	240.068	-0.731	50	10	BBGE	
CCON(c1ncc(B(O)O)c(C)n1)C(C)C	2004974642	NJZIXJRRAVFIER-UHFFFAOYSA-N	239.084	-0.369	50	10	BBGE	
Cc1cc(N2CC[C@H]3C[C@@H]3C2)ncc1B(O)O	2005014267	IZGXTVIAYAYKSG-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C)[C@H]2C)n1	2005014463	LYGQANKNSUEPSX-HTQZYQBOSA-N	235.096	-0.300	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H](CF)C1	2005015043	VFVDKQNHSIFLGA-VIFPVBQESA-N	238.071	-0.134	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2CC2(C)C)n1	2005017717	JJDNULUUTXPWNX-SECBINFHSA-N	235.096	-0.300	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@H](CCO)C1	2005060320	IRSNMJYJZSEOOV-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](COc1ncc(B(O)O)cc1F)N(C)C	2006999777	FSHSTQDBJLXVJP-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	2008046513	MPMYISRFPFMXOE-OPRDCNLKSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1[C@@H](C)CC(=O)NN	2010570458	PODRHCQVPVTDQR-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](F)C[C@@H](F)C2)nc1	2011406877	XYPZAQLVHPBGJH-RKDXNWHRSA-N	242.034	-0.352	50	10	BBGE	
COCCCCOC[C@@H]1CC[C@@H](C(=O)NN)O1	2014229785	XQVPNIOWFAGZDV-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
CN1CC[C@H](OCc2nc(C(=O)NN)co2)C1	2021070294	AXSGBXFQJVLTFT-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C[C@H]1CCC[C@H](NC(=O)NCC#CB(O)O)C1	2021115199	KZOZGKQVMQAMQE-UWVGGRQHSA-N	238.096	-0.120	50	10	BBGE	
C=C(CN(C)Cc1cnnn1CCC)B(O)O	2021156646	AMXJPWDHMSENEC-UHFFFAOYSA-N	238.100	-0.312	50	10	BBGE	
C=C(CN1CCC(COC)(OC)CC1)B(O)O	2021164918	NYOIJJPNZIKHCU-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
CCN(CCF)CC12CC(C(=O)NN)(CO1)C2	2023852912	IYCOBPDUEYEWRO-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3cccc(B(O)O)n3)C[C@@H]12	2042945752	XXNJXPYJWJTDCJ-LWINAJNOSA-N	246.075	-0.254	50	10	BBGE	
COc1cc(Cn2ccc(B(O)O)n2)cc(C)n1	2047620592	CTNSTKZTKIZNKL-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCCC[C@@H]21	2052468391	CFQHMVCPTNGDPA-KOLCDFICSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cnc(N2CCCC[C@@H]2C2CC2)nc1	2052472553	RUFYMOIHJFZGPB-LLVKDONJSA-N	247.107	-0.075	50	10	BBGE	
OB(O)c1cccnc1N1CC(n2cccn2)C1	2052490346	BIHIPSZBFIOIPV-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1cccc(F)c1	2058157217	VVRSTEQQMUXXHW-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
CCOc1c(C=O)ccc(B(O)O)c1F	2060117969	YSVRREMLNBJLCZ-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)cc1[N+](=O)[O-]	2060209246	CGIMOCDRAHSLEY-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN1CCN(c2ncccc2B(O)O)CC12CC2	2068136495	BFFXGXZVVSRVMI-UHFFFAOYSA-N	247.107	-0.954	50	10	BBGE	
COCOc1c(B(O)O)ccc(C)c1F	2080828078	CDRVBBHAFDXUQA-UHFFFAOYSA-N	214.001	-0.203	50	10	BBGE	
C[C@H]1C[C@H]1CCn1cccc(B(O)O)c1=O	2211590367	DICJDGUOSPFXKC-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
NNC(=O)C1(CN2CC(O)C2)CCCCC1	2212448418	NMOTYYXSJIKTQI-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C#CCCCN(C)c1ncc(B(O)O)cn1	2212601344	MUQPSUQDGMOACC-UHFFFAOYSA-N	219.053	-0.994	50	10	BBGE	
C=CC1(Nc2ncc(B(O)O)cn2)CCC1	2212602080	YIRCFWNJOWAPKJ-UHFFFAOYSA-N	219.053	-0.323	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(CCOCC(=O)NN)C2	2216684829	RFMOORVRDSWFHN-GXSJLCMTSA-N	243.307	-0.896	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cn2)CCNCC1	2217179369	JVIDKODSIFIDRT-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
CC[C@](C)(CN)Oc1nccc(B(O)O)c1F	2217195264	HTUSDQQYTDAFLN-SNVBAGLBSA-N	242.059	-0.593	50	10	BBGE	
OB(O)c1ccc(N2CC3(CC=CC3)C2)nc1	2217197670	PJDFGROVGPULHW-UHFFFAOYSA-N	230.076	-0.082	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)CCO1	2217202713	ZCRIGGRRDCFJHW-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCCN1	2217203527	WICXTYRZBFJRQS-VIFPVBQESA-N	235.096	-0.685	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1c1cc(B(O)O)ccn1	2217204060	DSOOUYWOJANLNJ-PSASIEDQSA-N	235.096	-0.923	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1Cc1cccc(B(O)O)c1	2220062673	MTRGZPCGDMQDMA-GWCFXTLKSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cnc(=NCCCC2CCCC2)[nH]c1	2223632709	NEXANZIGROMCHI-UHFFFAOYSA-N	249.123	-0.039	50	10	BBGE	
CC1(C)CN(c2ncccc2B(O)O)CC[C@H]1N	2223636812	BAGLXHLCLVPUCA-SNVBAGLBSA-N	249.123	-0.675	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCOC[C@H]32)cc1B(O)O	2223641891	DVFMPJSMMTUOAO-YGOYTEALSA-N	248.091	-0.483	50	10	BBGE	
Cc1cnc(N2CC[C@H]3COC[C@@H]32)cc1B(O)O	2223651640	DIEADNXEEYTAEY-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCNC2(CC2)C1	2223676262	YXPYEHYQJLLGOF-VIFPVBQESA-N	247.107	-0.542	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C(F)F	2243361937	JLBRYDZOFAHTNT-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC1(F)F	2243391265	IJIJZNGJSLMYMP-DSYKOEDSSA-N	233.023	-0.037	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2243399600	NYWRXQFNNIDQQJ-BQBZGAKWSA-N	222.053	-0.920	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC(C)(C)C1)B(O)O	2243411982	DMGBMIBCZMWHAH-UHFFFAOYSA-N	247.125	-0.384	50	10	BBGE	
CC(C)(N)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414905	KKGQNJKDWWGGGR-ZKCHVHJHSA-N	228.101	-0.517	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@]1(C)CC)B(O)O	2243433256	KCDUJXGFRYWJLD-VIFPVBQESA-N	247.125	-0.241	50	10	BBGE	
C[C@H](C(=O)N1CCC(B(O)O)CC1)N(C)C	2244176030	FPUCOAJNVIOUJA-MRVPVSSYSA-N	228.101	-0.598	50	10	BBGE	
CN(CC1CC1)C(=O)c1ccncc1B(O)O	2247722167	KSQIGFQXGQIOPF-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ccc(B(O)O)o1	2247739879	CEXJDMXARFYTEX-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ccoc1B(O)O	2247740486	LHTWZPLNKXJDNZ-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
CCON(C)C(=O)c1nc(C)ccc1B(O)O	2247754511	MHTLIVUKQMISOF-UHFFFAOYSA-N	238.052	-0.907	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247768887	AKIPBALACIXTRU-APPZFPTMSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)n[nH]2)C1	2247783741	KISCNWMOMNTDEY-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
CCONC(=O)c1c(OC)cccc1B(O)O	2247788962	NTVWKFFJHLZYHC-UHFFFAOYSA-N	239.036	-0.944	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247791055	KYFVULYPMVLLGJ-AATLWQCWSA-N	241.096	-0.125	50	10	BBGE	
CO[C@H]1C=C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247796674	BUXYXSJXWWNDIM-XKNYDFJKSA-N	239.080	-0.301	50	10	BBGE	
CN(C)c1ncccc1NC(=O)C#CB(O)O	2247851240	XDIGWBBKZGPNOU-UHFFFAOYSA-N	233.036	-0.899	50	10	BBGE	
CCn1cc(C(=O)N(C)C(C)C)nc1B(O)O	2247867828	NOASPVQIZDTXKF-UHFFFAOYSA-N	239.084	-0.937	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)C(=O)C1(B(O)O)CC1	2247871616	FEEPHKSKUQOUFW-DTWKUNHWSA-N	241.096	-0.266	50	10	BBGE	
CC=C1CCN(C(=O)c2occc2B(O)O)C1	2247874659	OJHXFXMSXRFLQI-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@@H]1COCCN(C(=O)C2CC(B(O)O)C2)C1	2247891675	MBWPWTPEYZPBQU-IDKOKCKLSA-N	241.096	-0.266	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896675	JBEFLCMEGDDKFT-AXTSPUMRSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)[C@@H]1C[C@H]1B(O)O	2247898370	CVYCFISZIFNGLU-OPRDCNLKSA-N	240.112	-0.645	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ncccn1	2247899063	KEFKYKWBMGLKFW-FXQIFTODSA-N	235.052	-0.483	50	10	BBGE	
O=C(NC[C@@H]1CCN1C1CC1)[C@@H]1C[C@@H]1B(O)O	2247899970	RWQTVCACLFCLLI-AEJSXWLSSA-N	238.096	-0.798	50	10	BBGE	
Nc1ccc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cc1	2247900656	YSCUETMIPAANRC-UWVGGRQHSA-N	234.064	-0.252	50	10	BBGE	
CC(C)[C@@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900779	ZNUJOGGTWDENMM-OPRDCNLKSA-N	243.112	-0.380	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1c1ncc(B(O)O)cn1	2248693935	QAVQSRUUZHFGSC-CBAPKCEASA-N	233.080	-0.609	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@@H](C(=O)NN)C1	2251035049	SRUMPORRMBCTNT-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1ncccc1B(O)O	2255515698	BGHBVGMYBAESIV-VIFPVBQESA-N	248.091	-0.154	50	10	BBGE	
C/C=C/CCCNC(=O)c1ncccc1B(O)O	2255521537	XMHJMEHUOUHEPX-NSCUHMNNSA-N	248.091	-0.153	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)c1ccccc1	2255571612	QHBUGIJMNJVMOF-GARJFASQSA-N	248.091	-0.335	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ncc(C)cc1B(O)O	2255798934	YRYQBQJZMFJIRT-VIFPVBQESA-N	248.091	-0.284	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	2298164898	OPBMCGUQPPLJCW-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CC[C@@H]2[C@H]1C2(F)F	2298367851	YBRQHTUXVNALRM-BKPPORCPSA-N	243.018	-0.496	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@]2(CO)C1	2298371049	WYUNAAXAUWIIPE-TURQNECASA-N	239.080	-0.920	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cc1C#N)[C@@H](C)N	2301345715	JEUPGUINHSXBHE-SFYZADRCSA-N	233.080	-0.614	50	10	BBGE	
N#CC1(F)CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	2301431002	MIBDPHTYRRPVGH-BDAKNGLRSA-N	240.282	-0.060	50	10	BBGE	
C[C@@H](CN)COc1ccc(C=O)c(B(O)O)c1	2301453194	RIFDAOALAJXUGM-QMMMGPOBSA-N	237.064	-0.848	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2cc(B(O)O)c(F)cn2)CO1	2303853134	RTXHNHCVHZIDEI-RNFRBKRXSA-N	241.027	-0.543	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ncccn1	2307831991	PRRMDTWRRGXJTG-MRVPVSSYSA-N	233.036	-0.693	50	10	BBGE	
CCN(C[C@H](C)N)c1ccc(B(O)O)cc1C#N	2317162292	JBZNWFBYSAKGOC-VIFPVBQESA-N	247.107	-0.588	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317309193	QLPFALVWOKJBQB-NSHDSACASA-N	243.071	-0.219	50	10	BBGE	
O=Cc1ccc(OC[C@H]2CCCN2)cc1B(O)O	2317352094	SPWATGIVJGWNBX-SNVBAGLBSA-N	249.075	-0.690	50	10	BBGE	
CN(C[C@@H]1CCO1)c1ccc(B(O)O)cc1C#N	2318665820	RLSIXIVLVHNIMH-NSHDSACASA-N	246.075	-0.537	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1F	2319330261	XOTGJIQHVXUHCG-JTQLQIEISA-N	249.050	-0.302	50	10	BBGE	
O=C1N[C@@H](CCl)C(=O)N[C@@H]1CCl	1561141	UJDFUUWGCSFGOJ-ZXZARUISSA-N	211.048	-0.553	50	10	BBGE	
N[C@@H](CC[C@H](Cl)[C@H](N)C(=O)O)C(=O)O	5411026	UZCHFKQDEKHHGI-YUPRTTJUSA-N	224.644	-0.802	50	10	BBGE	
C[C@H](Cc1ccco1)NC(=O)C(=O)NN	42595722	YLFDAQHXWLZRSC-ZCFIWIBFSA-N	211.221	-0.683	50	10	BBGE	
CNCCN(C)Cc1cccc(C(=O)NN)c1	70303765	WZJRRBKXEPAJQK-UHFFFAOYSA-N	236.319	-0.059	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCC(=O)NC1=O	84404777	HXZUSYHVWKPTOT-WHFBIAKZSA-N	218.640	-0.465	50	10	BBGE	
C[C@]1(CN2CC(=O)OC(=O)C2)CCCO1	123292626	GUOFCXQICPIRSU-SNVBAGLBSA-N	213.233	-0.059	50	10	BBGE	
C[C@@H](Cl)C(=O)NCCC(=O)N1CCOCC1	159167477	YACRXUKTFAFLKW-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
O=C(CCS)c1cccc(B(O)O)c1	220479187	CJNXBBHKVWPLJN-UHFFFAOYSA-N	210.063	-0.131	50	10	BBGE	
CCN(CC(=O)NC)S(=O)(=O)CCCl	232295131	ZDAZYNHIMXIULG-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
CCOC(=O)NNC(=O)CCC(=O)O	238277403	HCQKTPQSCUBEOK-UHFFFAOYSA-N	204.182	-0.372	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H](C)C(=O)NC	300215573	DUEKFHZBUORPPZ-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
COC[C@H](O)CNc1nc(N)nc(CCl)n1	309317971	OJFWSQYDJVVSGJ-RXMQYKEDSA-N	247.686	-0.388	50	10	BBGE	
CC(C)C[C@@H](N)C(=O)NCC(=O)NCCCl	390227498	BOQRXGLKQAIFDI-MRVPVSSYSA-N	249.742	-0.169	50	10	BBGE	
CCC(=O)c1ccc(OC)cc1B(O)O	396036415	ZVRKCFHDZGSGGN-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1[N+](=O)[O-]	396051821	FXYGTSNIGHKPSA-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
CCOC(=O)c1nc2ccc(B(O)O)cc2o1	396091029	BTBRTNZGYATWHK-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
N#CCCc1cc(CC#N)cc(B(O)O)c1	396136094	HIWKRJVHOCVNSH-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
C[C@@H]1OC(=O)N[C@@H]1c1ccc(B(O)O)cc1F	396442238	GVOZKDSFBGRASV-CDUCUWFYSA-N	239.011	-0.325	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@H]1CCCOC1	404922434	WOGWMMGPBPRDDU-VIFPVBQESA-N	249.075	-0.269	50	10	BBGE	
C#CCOC(=O)NCc1sccc1B(O)O	405132852	HQISXEAXUZAELW-UHFFFAOYSA-N	239.061	-0.713	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@H]1COC2	695048786	LPSPNGIXZOMWOK-LPEHRKFASA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H](CO)C1	700400739	YLSGYPYLABXFIL-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
CS(=O)(=O)NC1CN(CCCCl)C1	702948270	HPILVZGTTJUCKI-UHFFFAOYSA-N	226.729	-0.151	50	10	BBGE	
CNNC(=O)[C@@H](CC(C)C)NS(C)(=O)=O	704645367	SVPMLFITOUJIME-SSDOTTSWSA-N	237.325	-0.799	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@H]1Cl)[C@H]1COCCO1	706693745	GRMHEMBHHUDOPR-IWSPIJDZSA-N	249.694	-0.086	50	10	BBGE	
CN(CCCCC(=O)NN)Cc1ncnn1C	707411989	RUXAVDGJDWLMJJ-UHFFFAOYSA-N	240.311	-0.593	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCn1cnnc1	707426564	VRSHFAKPMFBBEF-VIFPVBQESA-N	240.311	-0.776	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1c1nccs1	710596056	QDUNIUXUSRESGF-ZCFIWIBFSA-N	240.288	-0.204	50	10	BBGE	
CCc1nc(S[C@@H](C)C(=O)NN)n[nH]1	714113792	VCRGPBSZRPSUPH-BYPYZUCNSA-N	215.282	-0.162	50	10	BBGE	
OB(O)c1cncc(OCC23CC(CO2)C3)c1	716092810	ARETUJXZLXIIHQ-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
C[C@@H](Cl)C1=C=NNN1CC1CS(=O)(=O)C1	725448956	PGJYWIDZAMSITI-ZCFIWIBFSA-N	249.723	-0.053	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)CCc1ccco1	786852774	WCBONPZKSZWNLZ-ZETCQYMHSA-N	226.232	-0.260	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCO	799365296	WPQURUWRVRCYLG-MRVPVSSYSA-N	231.296	-0.754	50	10	BBGE	
CCCNC(=O)NNC(=O)Cn1cncc1C	858808881	NSWIUBMNLJGCPO-UHFFFAOYSA-N	239.279	-0.068	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNc1cnccn1	867494397	YRUVNKLHCKRPJW-VIFPVBQESA-N	249.274	-0.069	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2COC(=O)N2)CC1	901268609	YABSDFUCXDKEPT-MRVPVSSYSA-N	221.216	-0.223	50	10	BBGE	
Cc1ncc(C(=O)NNC(=O)c2ccnnc2)[nH]1	1162154310	IPEAIBBBLSVUIE-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
Cc1nnc(NNC(=O)[C@@H]2CCC(=O)C2)n1C	1335409077	XTVJXGSCWVXIHP-SSDOTTSWSA-N	237.263	-0.064	50	10	BBGE	
O=C(NNc1cccnn1)c1cc(CO)on1	1637052598	VCGXTOUITLXAHU-UHFFFAOYSA-N	235.203	-0.286	50	10	BBGE	
CCS(=O)(=O)NC1CN(C(=O)F)C1	1882788689	AUGSUWTYQQRCHK-UHFFFAOYSA-N	210.230	-0.301	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@H]1C[C@@H]1Br	1883531093	LVVZMZMXZJXNCY-WDSKDSINSA-N	249.108	-0.780	50	10	BBGE	
O=C(O)[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1883634401	JTCWAXVWZOFQJO-WDCZJNDASA-N	207.613	-0.825	50	10	BBGE	
C[C@H](CC(=O)NN)S[C@@H]1CC[C@@H]1N	1887479004	OPUZGBFBHJSFAU-DSYKOEDSSA-N	203.311	-0.022	50	10	BBGE	
C[C@H](CC(N)=O)NC(=O)/C=C/C(=O)Cl	1893497850	LYIMDDJRYYTGCV-WVSAJJKCSA-N	218.640	-0.312	50	10	BBGE	
C[C@H](CC(=O)NN)N1C=CS(=O)(=O)C=C1	1893946039	JVDDHCNBFCFULX-SSDOTTSWSA-N	231.277	-0.572	50	10	BBGE	
C[C@]12C[C@H]1CN(c1ccc(B(O)O)cn1)C2	1895126764	YGYSKUCOKDSBBA-GZMMTYOYSA-N	218.065	-0.392	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C=CCCN1	1901374366	DBFPPMUOZVWNPY-MRVPVSSYSA-N	247.320	-0.783	50	10	BBGE	
Cc1cc(CN[S@](C)=O)sc1B(O)O	1901752889	YLIDUMADKONUEP-AWEZNQCLSA-N	233.123	-0.881	50	10	BBGE	
OB(O)[C@@H]1CCN(CCCc2cn[nH]c2)C1	1902547519	YJPGQWMEQSGBMW-SNVBAGLBSA-N	223.085	-0.109	50	10	BBGE	
N#CCS(=O)(=O)N[C@H](CCCl)C(=O)O	1903495437	DYAMNOJLMJJTMG-RXMQYKEDSA-N	240.668	-0.489	50	10	BBGE	
C[C@H](CN(C)C)N(C)CC1(C(=O)NN)CC1	1904707618	KTEUOQKYZVXVOJ-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)O[C@H](C)CC1=O	1905545152	IOUOBAGGRQYNBL-DJLDLDEBSA-N	243.307	-0.219	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C[C@H]1C[C@@H]1F	1908989513	ZNLGPUVJECBIAG-XFWSIPNHSA-N	245.298	-0.186	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=C[C@@H]1CO	1909054487	DTIFOQJAYGUOMA-DJLDLDEBSA-N	213.281	-0.766	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	1910401742	ZBUHCOCDJFLKKS-XKNYDFJKSA-N	241.335	-0.296	50	10	BBGE	
COC(=O)c1cc(F)c(B(O)O)cc1F	1910571707	ADZSOTWSXJJFDS-UHFFFAOYSA-N	215.948	-0.569	50	10	BBGE	
C[C@@H](CN1C(=O)CCCC1=O)C(=O)NN	1912237177	RASFFOYFKSWAGR-LURJTMIESA-N	213.237	-0.849	50	10	BBGE	
C[C@H](CN1CC[C@@H](O)[C@H]1C)C(=O)NN	1914255065	LPLCSRWGJQAZLL-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOCC12CC2	1915591532	ALOBTGJXPBVHCU-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
CN1C[C@H](Cl)[C@H](N=c2[nH]cc[nH]c2=O)C1	1928756235	SDYKEVAEJGBYES-NKWVEPMBSA-N	228.683	-0.475	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)[C@@H](C)Cl	1931191760	YTMOQKAMMGBGSJ-ZCFIWIBFSA-N	242.728	-0.379	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3C2=O)CC1	1931266706	JHEOZBXQBQQPKJ-NKWVEPMBSA-N	209.249	-0.765	50	10	BBGE	
CO[C@]1(C)CCN(CC(F)(F)C(=O)NN)C1	1935930774	JESKXVJXDAKUDU-MRVPVSSYSA-N	237.250	-0.278	50	10	BBGE	
CCC[C@@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1937987290	QNAKDIBTROFYBH-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N1C2CCC1([C@H](C)O)CC2	1938703630	BMABVTMVKXEGIG-PCWJGIJCSA-N	227.308	-0.257	50	10	BBGE	
CN(CCn1cccn1)C[C@@H]1C[C@H]1C(=O)NN	1941083878	UGAPBXIIGZEAJC-VHSXEESVSA-N	237.307	-0.559	50	10	BBGE	
COC1CC(CN(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1941090397	ZNKXKLTYQLFESK-DJRKXVOMSA-N	241.335	-0.031	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(C[C@@H]3C[C@@H]3C(=O)NN)C[C@@H]21	1941091552	ZFWDPBMLSXLSBT-LADJIXMOSA-N	238.335	-0.896	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]12COC[C@@H]1C2	1941092158	GVIGKNGJQDZSHO-UXCLJVHYSA-N	239.319	-0.419	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCO[C@@](C)(C(=O)O)C1	1943974745	UFXXPVJBSQZDEO-OIBJUYFYSA-N	245.279	-0.216	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1[C@H]2COCC[C@@H]21	1945076401	YTCIEXNTJFYWTH-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3[C@H](C2)[C@@H]3CO)CC1	1945884807	WXOKFVXBQDSIRT-LPEHRKFASA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CC[C@@]2(CO)C3)CC1	1945889568	SBHHVJACGQAJCU-CABZTGNLSA-N	239.319	-0.397	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2OCCO[C@H]2C1	1946397049	MPHCBJRMEBLORP-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCOC1(C)C	1948229694	NFTATJVVJUQVIP-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1CCCCl	1954822360	NTRINBPXHZCBTO-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(CC(=O)NN)C1	1955411792	SQKKCTGRQKTVQH-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
C[C@@H](CSCCOCCN)C(=O)NN	1956691637	XHZKFDVHKYYDRG-ZETCQYMHSA-N	221.326	-0.679	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(F)(C2CC2)C1	1956911283	JORDMTBDRQLMSK-LURJTMIESA-N	201.245	-0.201	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCO[C@@H]1C(N)=O	1957175197	LCTQIJCHTHPUKK-ZLUOBGJFSA-N	220.656	-0.627	50	10	BBGE	
CN(C)C(=O)CN1CCN(CCCl)CC1	1960160191	VGUSAEOGJWDJPP-UHFFFAOYSA-N	233.743	-0.069	50	10	BBGE	
O=C(NNCCO)[C@H]1[C@@H]2[C@@H]1CCC2(F)F	1961396840	OXQCZWLAUYHQHD-QYNIQEEDSA-N	220.219	-0.109	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CN2CC[C@H]1C2)C(=O)NN	1976086668	GLFFAZRBGKIXMK-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
CCC(F)(F)C(=O)N[C@H](CB(O)O)C(=O)O	1976979186	IVKJAJFECZFSFK-SCSAIBSYSA-N	238.983	-0.926	50	10	BBGE	
CCn1ncc(CNC(=O)NC(=O)CCl)n1	1981355649	FIXNJSGIWDLQDI-UHFFFAOYSA-N	245.670	-0.137	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2CC[C@H]21	1981417260	YQKLTBVZUMEPFW-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)[C@@H](COC)C1	1982500658	SODRELFMZWBZKJ-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2C[C@@H]1CN(C)C2	1987562256	JRPDZBRNXAJRIE-KYXWUPHJSA-N	226.324	-0.611	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]12C[C@H](CCO1)C2	1990168418	VDPGTWWWABVCPY-KKZNHRDASA-N	227.308	-0.134	50	10	BBGE	
CN(C[C@@H]1COCCN1)C(=O)C=CC(=O)Cl	1991649738	HBFHJDHJODQVAP-MRVPVSSYSA-N	246.694	-0.245	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H](O)[C@H](CO)C1	1991650980	QFINCFKDARVGCU-YUMQZZPRSA-N	247.678	-0.490	50	10	BBGE	
C=C(CN1CCCC[C@@H](N(C)C)C1)B(O)O	1992152895	JOLYOVARLADENJ-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@H]1C1CCOCC1	1992970265	CZYHOYBIMAUFMI-YUMQZZPRSA-N	243.332	-0.087	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC2(CCOCC2)C1	1997364241	RYGDLXMALXEMEN-MRVPVSSYSA-N	241.291	-0.558	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999846797	KDWXBTYFDUOLBC-VPOLOUISSA-N	241.335	-0.296	50	10	BBGE	
CC[C@@H](O)CN(CCOCC(=O)NN)C1CC1	2000011538	NACCFANZZDBJEB-SNVBAGLBSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN(C)[C@H]2CC[C@H]21	2002917388	SEFFUKDKDCXFRW-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1N(C)C	2003958205	MIMXOVGKIABDFA-AXFHLTTASA-N	242.367	-0.116	50	10	BBGE	
CN(Cc1ccoc1)c1ncccc1B(O)O	2004934665	SBACYUCIWHWZPC-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
Cc1cc(N2C[C@H](C)[C@H](F)C2)ncc1B(O)O	2005018479	UPHCNUHRVHPOCY-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](N2CC(C)(C)C2)C1	2007834100	FZIKFWMAYIHPHG-NXEZZACHSA-N	240.351	-0.219	50	10	BBGE	
CCCC(=O)NCCc1cccc(B(O)O)c1	2008784565	DRHJMWUJRPJYGZ-UHFFFAOYSA-N	235.092	-0.175	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CC(F)(F)C(=O)NN	2008786072	SIBDZOHVFDDYCZ-BIIVOSGPSA-N	249.261	-0.279	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ncccc2=O)C1	2010833516	SJGXXRUKMGJRRE-IUCAKERBSA-N	236.275	-0.351	50	10	BBGE	
CC[C@H](O[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	2012111969	AXXRQLUIAXFPSV-YIZRAAEISA-N	239.279	-0.233	50	10	BBGE	
Cc1nc(N(C)C[C@H]2C[C@H]2F)ccc1B(O)O	2014735665	QAFQJNUQDUIWHB-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC23CCOCC3)n1	2021307669	DBHKFURMWNMRQP-VIFPVBQESA-N	236.080	-0.620	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccccc1B(O)O	2022196784	RNQLNCUFVIPRAR-VIFPVBQESA-N	231.060	-0.185	50	10	BBGE	
C[C@H]1CN(CC23CC(C(=O)NN)(CO2)C3)[C@H]1C	2023852290	FKUMFHRIEFGPCN-CRRMYELQSA-N	239.319	-0.134	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1(CCO)CCC1	2025517606	KGNVYYBKSCOOSY-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1csc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)n1	2026818350	HVSIFGIMNRIWIG-VOBLBDLASA-N	249.100	-0.288	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2COC[C@H]2C1	2052621068	BKLQATDRUOZEOU-AOOOYVTPSA-N	248.091	-0.848	50	10	BBGE	
O=c1c(B(O)O)cccn1CC(C1CC1)C1CC1	2058156262	RZLBXKWRLCLSJV-UHFFFAOYSA-N	247.103	-0.036	50	10	BBGE	
COc1cc(C#N)cc(B(O)O)c1OC	2060291670	ZGGGMVADDBUILJ-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3COC[C@@H]32)nc1	2066310407	RVUXNXSBPZRFKD-KOLCDFICSA-N	248.286	-0.484	50	10	BBGE	
COC[C@@H]1[C@@H](O)[C@H](O)CN1CCCl	2209127119	IJEKBATYLZUZTM-BWZBUEFSSA-N	209.673	-0.722	50	10	BBGE	
O=c1ccncn1Cc1cscc1B(O)O	2211136809	WFLFUWIXUCHSRW-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
CC[C@@H](Oc1ncccc1B(O)O)[C@@H](C)N	2212603137	CMKOIJYPBSUEQK-VXNVDRBHSA-N	224.069	-0.734	50	10	BBGE	
CN(c1nccc(B(O)O)c1F)C1CSC1	2212603401	FQBKLNCARIBEAE-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1cc(B(O)O)ccn1	2212604729	RUNUXCOHKGXQJF-JGVFFNPUSA-N	224.069	-0.403	50	10	BBGE	
CC1(O)CCN(C[C@@H]2CC[C@@H]2C(=O)NN)CC1	2215775246	GIYYDEOLHAXODH-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)C[C@@H]1CC[C@H]1C(=O)NN	2215776310	LYELXMVYIIMXBE-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
Cc1cnc(O[C@H](C)C[C@H](C)N)cc1B(O)O	2217168070	RUHZTJWSBFZRDM-DTWKUNHWSA-N	238.096	-0.426	50	10	BBGE	
OC[C@@H](Nc1ccc(B(O)O)cn1)C1CCC1	2217172886	NISSGEKDQPVIAO-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
N#CC1=CCN(c2ncccc2B(O)O)CC1	2217180728	VMCDSNKGXCYOKM-UHFFFAOYSA-N	229.048	-0.579	50	10	BBGE	
Cc1cnc(N2CC[C@@H]3C[C@@H]3C2)cc1B(O)O	2217180764	VRJSVCBHPNCRER-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
CC[C@H](O)CN(CC)c1ccc(B(O)O)cn1	2217181947	XINKEZKYTQYJHW-JTQLQIEISA-N	238.096	-0.641	50	10	BBGE	
Cc1cnc(NC[C@@H]2C[C@H]2CN)cc1B(O)O	2217181962	XNGJWIMDQBHORX-IUCAKERBSA-N	235.096	-0.923	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1nccc(B(O)O)c1F	2217183884	LLXXDCDNYGJKKL-XVKPBYJWSA-N	240.043	-0.510	50	10	BBGE	
CC1(C)C[C@H](N)[C@@H]1Oc1ncccc1B(O)O	2217187399	YBBFKVQEDFVHAT-IUCAKERBSA-N	236.080	-0.734	50	10	BBGE	
CC[C@@H](N)CN(CC)c1ccc(B(O)O)cn1	2217204007	CYZHUDKCELDFAK-SNVBAGLBSA-N	237.112	-0.675	50	10	BBGE	
NNC(=O)C1(CN2Cc3cncnc3C2)CCC1	2222632547	HEXANBPHQQTAQI-UHFFFAOYSA-N	247.302	-0.048	50	10	BBGE	
Cc1nc(C)c(CNc2ncc(B(O)O)cn2)o1	2223632755	NQIFZMYGTVTTDA-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
C[C@@]1(C#N)CCN(c2nccc(B(O)O)c2F)C1	2223645441	WTLQXXAIUYNUMX-NSHDSACASA-N	249.054	-0.360	50	10	BBGE	
C#CC1(N(C)C)CN(S(=O)(=O)CCl)C1	2242277474	GNNIHOCDUIINJD-UHFFFAOYSA-N	236.724	-0.238	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1nscc1B(O)O	2243347560	NTLLVVWZSGBWCI-LURJTMIESA-N	240.093	-0.625	50	10	BBGE	
CC=CCCNC(=O)c1coc(B(O)O)c1	2243348493	YHSUVKBTYPBACY-UHFFFAOYSA-N	223.037	-0.345	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243363110	BEJZEFOUGDLQKB-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CCON(C)C(=O)c1cc(C)sc1B(O)O	2243377990	KVSRBYXDLHXXRT-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
CC[C@@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243382070	LFTGULHHYQHEQU-IWSPIJDZSA-N	229.085	-0.626	50	10	BBGE	
CC[C@H](O)CCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243396131	IATDJXFTPVCSDW-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
C[C@@]1(CO)CCN1C(=O)C1(B(O)O)CCC1	2243397591	FGOXWTUMSRDMFA-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
C[C@]1(NC(=O)C#CB(O)O)C[C@@H]1C(F)(F)F	2243401470	ROTBXKWBGFTXME-FSPLSTOPSA-N	234.970	-0.541	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1	2243576802	BJCYVRZBONYJFR-DTWKUNHWSA-N	219.244	-0.210	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1CCOCC(=O)NN	2243805101	NWMZFXVLMKVOIQ-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
O=C(Nn1cccc1)c1cc(B(O)O)co1	2244204977	CXBXWHHJTRXIBS-UHFFFAOYSA-N	219.993	-0.855	50	10	BBGE	
C[C@H]1C[C@H]1CCC(=O)NCCC#CB(O)O	2244546239	IVYGFQNWGDJDOO-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
O=C(Nc1ncco1)c1cocc1B(O)O	2245941254	SSVOPSKRGUSDHR-UHFFFAOYSA-N	221.965	-0.800	50	10	BBGE	
CN(C)NC(=O)N1CCOC(C)(C)[C@@H]1C(=O)O	2246658481	ZBWBIUZPFPKWRC-ZETCQYMHSA-N	245.279	-0.263	50	10	BBGE	
CC(C)[C@@H](C)CNC(=O)c1cc(B(O)O)c[nH]1	2247747544	OZYPOYYBAXHBHV-QMMMGPOBSA-N	238.096	-0.284	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)o1	2247747838	SZUVQWFQFBEAGE-SFYZADRCSA-N	237.064	-0.170	50	10	BBGE	
NC[C@H]1CCCC[C@H]1NC(=O)C1(B(O)O)CC1	2247749951	BWKCHWMXBHZPKW-RKDXNWHRSA-N	240.112	-0.373	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247756012	KOMQCPCISPQPNL-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
O=C(N1CCc2cccnc21)C1(B(O)O)CC1	2247757890	SJXQQGXKXYIRPA-UHFFFAOYSA-N	232.048	-0.022	50	10	BBGE	
NCC[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2247758855	XGSVMPQCTPZNEE-SECBINFHSA-N	240.112	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CCN1	2247759021	YFBFVBAKCZZYLH-IUCAKERBSA-N	240.112	-0.360	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]2C1	2247784996	DRTDPBJPVAUHCY-GENCIFFESA-N	239.080	-0.921	50	10	BBGE	
CCn1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1	2247793227	WOHRLXWXQHUIRV-IUCAKERBSA-N	237.068	-0.618	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@@H](C2CC2)C1	2247798303	SDYMMVVHZDNSCR-KXUCPTDWSA-N	239.080	-0.513	50	10	BBGE	
CN1CCN(C(=O)C2CC(B(O)O)C2)[C@H]2C[C@@H]21	2247809792	RKJAZZNWQRVKHR-QLEHZGMVSA-N	238.096	-0.846	50	10	BBGE	
CCOCCN(C)C(=O)c1ccoc1B(O)O	2247846608	JKAXLWMPRZXIML-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
C=C1CCN(C(=O)c2ccc(B(O)O)o2)CC1	2247847567	YXYCLPMDOKSWPD-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
Cc1ccncc1[C@@H](C)NC(=O)C#CB(O)O	2247848403	LMTPEYMSHPRMPT-SECBINFHSA-N	232.048	-0.417	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(F)(F)F)C(=O)C#CB(O)O	2247849300	YJHHIRWLHZZUBJ-BQBZGAKWSA-N	248.997	-0.341	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H](O)[C@H]1CC2)C1(B(O)O)CC1	2247855084	MZTUVYNGJHYZCF-IWSPIJDZSA-N	239.080	-0.492	50	10	BBGE	
Cn1cnc(CNC(=O)C2CC(B(O)O)C2)c1	2247855334	QQLGAWQKOAICJN-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247855600	VETFSRHVIGHYGG-KZVJFYERSA-N	241.096	-0.485	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1[C@@H](C)[C@@H]1C	2247867396	DMSWFXFHJOMBJQ-WDSKDSINSA-N	237.064	-0.348	50	10	BBGE	
O=C(N1CCC(CO)CC1)C1(B(O)O)CCC1	2247877736	JRJXEVWRJAXRCX-UHFFFAOYSA-N	241.096	-0.386	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H](C)[C@@H]1C	2247896242	FMQHXBSTHUTOKL-NXRLNHOXSA-N	239.080	-0.121	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCOCC1	2247897390	RRKPYJLBYBUTOF-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)C[C@H]1O	2247898791	HSERVLJOYFCQQO-GRDBIXFFSA-N	241.096	-0.533	50	10	BBGE	
O=C(O)C1CC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248568982	OREQDSXJDGYNKB-CRYROECRSA-N	241.052	-0.924	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)C(=O)O	2248577463	NKWDCBYQYHMVJD-XVMARJQXSA-N	243.068	-0.535	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H]1CC(N)=O	2249306037	VZBMKWAACQKYIZ-SECBINFHSA-N	242.323	-0.514	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1cocc1B(O)O	2249417528	HKRXPUQUQPLWHF-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249427108	CLTCWJISBOVYTD-VIFPVBQESA-N	235.048	-0.250	50	10	BBGE	
C[C@H](NC(=O)c1cocc1B(O)O)[C@H]1C[C@H]1C	2249434210	XDUKFSMRFHEARC-CSMHCCOUSA-N	237.064	-0.266	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1COC2(COC2)C1	2249633644	AGHQWQNPRBMMML-BDAKNGLRSA-N	243.307	-0.755	50	10	BBGE	
O=C(Cc1ccncc1)NCCC#CB(O)O	2249999174	SIMTWSXHDJHHHY-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1coc(B(O)O)c1	2255452604	LJBZRRHEVANGHJ-DOFRTFSJSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@H]21	2255460864	ZIWWPQRPCPLIET-HLTSFMKQSA-N	249.075	-0.313	50	10	BBGE	
C=C1CCN(C(=O)c2cccc(F)c2B(O)O)C1	2255505330	VZAZIEFOSPMYJS-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1ccc(B(O)O)o1	2255674086	VYLBIHMULHUIKN-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
CN(C)c1ccncc1NC(=O)[C@H]1C[C@H]1B(O)O	2255774976	UPAAGAVIBDRPIT-JGVFFNPUSA-N	249.079	-0.051	50	10	BBGE	
COc1ccc(C(=O)N2CC=CC2)c(B(O)O)c1	2255789392	GNOMLJSGDVJFNL-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
CC#CC(=O)N1CCc2cc(B(O)O)ccc2C1	2256600994	NCKSHIKJTCANDW-UHFFFAOYSA-N	243.071	-0.726	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1cc(B(O)O)co1	2258121273	MYYFMNWVBDMGOR-KTOWXAHTSA-N	249.075	-0.122	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2COC[C@@H]2C1	2298371605	PXOSBQPONXQVOB-AXTSPUMRSA-N	239.080	-0.656	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2298371896	YXNKVIXAIQDDRV-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
CC[C@@H]1CNCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298374692	IPCVZCDOUDHZFK-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
CN(C[C@@]12COC[C@@H]1C2)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375381	HSSOIAHJWABBDT-DKIAZLNASA-N	239.080	-0.656	50	10	BBGE	
O=C(O)C[C@@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298462692	BAQORLKFNHGXBM-LXGUWJNJSA-N	241.052	-0.781	50	10	BBGE	
CNC[C@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301452804	MKDNDUIFGKDBCE-QMMMGPOBSA-N	236.080	-0.801	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@@H]2[C@@H]1CO	2302023746	QHOMACTUMBDKGS-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CN1CCOC[C@H]1CN1CC[C@@](C)(B(O)O)C1	2303153741	FVZZYDIYMGRDLS-GHMZBOCLSA-N	242.128	-0.744	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@@H]2CF)[nH]cc1F	2303836653	PCCGOOOMFSXQIU-RQJHMYQMSA-N	242.034	-0.660	50	10	BBGE	
CO[C@@H](C)[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303837085	VNNLDQUXVVIDTK-BQBZGAKWSA-N	242.059	-0.264	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CNC[C@@H]2C3)nc1	2312612383	UQTWMTZJAQXFOL-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	2312612467	ZIGXSSXQJZUDIB-GDWDKGMLSA-N	245.091	-0.387	50	10	BBGE	
CC(C)NC=C(C#N)C(=O)NCCC(=O)O	2324140534	GCPWQBIVUYIRQO-UHFFFAOYSA-N	225.248	-0.017	50	10	BBGE	
NNC(=O)c1ncc2c(Cl)nccn12	75848595	ALUQMDNMBHUUNG-UHFFFAOYSA-N	211.612	-0.014	50	10	BBGE	
NNC(=O)c1c(-c2ccccn2)cnnc1O	77058622	ZBWYZUGESLBKHH-UHFFFAOYSA-N	231.215	-0.152	50	10	BBGE	
CN(CCC(=O)NN)Cc1cscn1	82469425	JRKFXSZSTKWLJV-UHFFFAOYSA-N	214.294	-0.045	50	10	BBGE	
CCC(CC)[C@@H](C)NC(=O)C(=O)NN	82634089	KDOWHKYRLHIEIK-ZCFIWIBFSA-N	201.270	-0.083	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)[C@@H](C)CCl	85087029	CSBNNUZXMBODCU-WDSKDSINSA-N	232.667	-0.265	50	10	BBGE	
NNC(=O)c1ccoc1CN1C(=O)[C@@H]2C[C@H]2C1=O	113667853	KJFLIKRUHGBLQE-RNFRBKRXSA-N	249.226	-0.612	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1ccccn1	118049915	BETASXYIQWSQHP-VIFPVBQESA-N	208.265	-0.456	50	10	BBGE	
CN(C)CCNS(=O)(=O)CCCl	220233069	XOJQPYLTEFSRHY-UHFFFAOYSA-N	214.718	-0.294	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247343	WLYIHCVOKFCMEL-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C)C[C@@H]1C	234047258	BOUTZWYFIBGZQB-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
COC(=O)c1cc(C)c(B(O)O)c(C)c1	238348524	YYCRHTDBOVGWGQ-UHFFFAOYSA-N	208.022	-0.230	50	10	BBGE	
COc1cnc2c(B(O)O)ccnc2c1	238373975	KLFWQPOUNWVGFO-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
CCN(CC(=O)NC)[C@H](C)[C@H](C)C(=O)NN	252589431	BVEZLIMJVIVPSM-JGVFFNPUSA-N	230.312	-0.931	50	10	BBGE	
C[C@H](O)c1ccc2c(c1B(O)O)OCO2	258080329	PBLKDNHDZJKGNI-YFKPBYRVSA-N	209.994	-0.852	50	10	BBGE	
OB(O)c1cnn(-c2ccccc2)c1F	301044056	MBRITHNDRZHRDJ-UHFFFAOYSA-N	205.985	-0.309	50	10	BBGE	
NC(=S)NNC(=O)NOC/C=C\Cl	308181559	GQQKCTIYUHELAO-UPHRSURJSA-N	224.673	-0.282	50	10	BBGE	
Nc1c(OC(F)(F)F)cc(F)cc1B(O)O	322315342	ZXWUYHHSUHJRSR-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCCN([C@H]1CCOC1)[C@H](C)C(=O)NN	379845138	HSJVRIBWGXWYTP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
O=C(NCCCl)NCCN=c1cncc[nH]1	381503250	QLFQYCFHKXSIMR-UHFFFAOYSA-N	243.698	-0.152	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](N2CCCCC2)C1	382667537	VCQDXFUJJLGNAT-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
CC[C@H]1[C@H](CO)CCN1[C@H](CC)C(=O)NN	385890024	MRGYYSOJLIIESA-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)CC(C)(C)O	386979526	MYCLYDRYULELCO-UHFFFAOYSA-N	242.279	-0.519	50	10	BBGE	
C[C@@H](Cl)c1cn(C[C@@H](O)CO)nn1	388749155	ZUCVAABSIQWHTH-PHDIDXHHSA-N	205.645	-0.069	50	10	BBGE	
CC(=O)Cc1cccc(B(O)O)c1CC(=O)O	396136096	HJCGTKLAWSJIDC-UHFFFAOYSA-N	236.032	-0.875	50	10	BBGE	
CCN(C)C(=O)NCc1ccc(B(O)O)s1	405068981	FSXPZIIFUCUKIR-UHFFFAOYSA-N	242.109	-0.411	50	10	BBGE	
C[C@H](CO)CSCC(F)(F)C(=O)NN	685956684	YTWUKXUVLVNGDE-RXMQYKEDSA-N	228.264	-0.027	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690154487	FLYRGORYXBOODF-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](C#N)C1	693986243	NFFKQHRGVKQJHR-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	694432877	PUFQTQAKBXLVGV-CSMHCCOUSA-N	211.265	-0.471	50	10	BBGE	
CC(C)(C)c1nc(C(=O)NNC(N)=O)n[nH]1	700864364	GWYHQSMNNJNZHD-UHFFFAOYSA-N	226.240	-0.585	50	10	BBGE	
Cc1nnc(CN(C)C(=O)NN)s1	704536229	DZNJFPZZXYVLMT-UHFFFAOYSA-N	201.255	-0.138	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@H]1COC[C@H]1O	708189298	JRAQHBUWFHKABA-GJMOJQLCSA-N	204.657	-0.191	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](C1)C2(F)F	715400451	GQJMYGUSAGMERV-FSDSQADBSA-N	219.235	-0.048	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cn(C)nc1C	716413601	MINOEUBLUFAKKI-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
NC(=S)NNC(=O)CCOC1CCC1	716857756	NTRBCARJAXBRFE-UHFFFAOYSA-N	217.294	-0.190	50	10	BBGE	
O=C(CCl)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1	725701648	BLNCKKKMKBNRKU-NKWVEPMBSA-N	237.708	-0.129	50	10	BBGE	
CC(=O)NNC(=O)Cn1cnc2c1CCCC2	757696520	QZWIRPVSMCNIAL-UHFFFAOYSA-N	236.275	-0.071	50	10	BBGE	
CO[C@@H](C(=O)NNC(C)=O)C(=O)OC(C)(C)C	864427869	YXGWDAHCQWSMNG-ZETCQYMHSA-N	246.263	-0.490	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1CCCN1C(C)=O	865016151	XUCDKFXREXVWHN-QMMMGPOBSA-N	242.279	-0.652	50	10	BBGE	
O=C1NC(=O)N(CC[C@H]2CO2)C[C@H]1Cl	953055244	IBGKUWYYNIHYQJ-NTSWFWBYSA-N	218.640	-0.066	50	10	BBGE	
CC[C@](C)(OC)C(=O)NNC(=O)c1ncon1	1439773749	MZAUZTQFSRLBPN-VIFPVBQESA-N	242.235	-0.354	50	10	BBGE	
CC(C)(F)C(=O)NNC(=O)c1ccnnc1	1469120542	PJMZMDIVFQQTKU-UHFFFAOYSA-N	226.211	-0.014	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(=O)[C@H]1CCCO1	1634156514	URAUBLXLUJYMHR-HTQZYQBOSA-N	240.263	-0.345	50	10	BBGE	
COc1ccc(S(=O)(=O)NNC=O)c(C)c1	1858080943	YNDSLMMSSWLKPQ-UHFFFAOYSA-N	244.272	-0.057	50	10	BBGE	
C[C@H]1[C@H](O)CN1C(=O)CBr	1880043560	DMXSRQMWYKFOLV-CRCLSJGQSA-N	208.055	-0.027	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@@H]2Br)COC1	1883530044	VVGIQVQGFXJXDN-RITPCOANSA-N	249.108	-0.386	50	10	BBGE	
N[C@H]1CCN(C(=O)C=CC(=O)Cl)C1	1883626376	FWFVKEKTNWOFSX-LURJTMIESA-N	202.641	-0.132	50	10	BBGE	
CON(CCN)C(=O)/C=C/C(=O)Cl	1883647802	QYSRAQSNSYQRTO-NSCUHMNNSA-N	206.629	-0.343	50	10	BBGE	
CNC1(C(=O)NC2CC(Cl)C2)COC1	1884411501	DIHIEHBNMHIUDH-UHFFFAOYSA-N	218.684	-0.139	50	10	BBGE	
CC1(C)C[C@H](CO)CN1CC(=O)NN	1886248511	IJLXINBRSAPLMI-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CS(=O)(=O)C[C@@H](NC(=O)F)C(=O)O	1886387495	MOUDKVVRLRIALP-GSVOUGTGSA-N	213.186	-0.837	50	10	BBGE	
O=C1CO[C@H]2CCN(C(=O)F)C[C@H]2N1	1887188663	SYDAOHBVNZLQPM-RITPCOANSA-N	202.185	-0.335	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@@H](Cl)CC	1887694908	ULJFGUZZXZOAPB-ZETCQYMHSA-N	216.668	-0.131	50	10	BBGE	
Cn1cc(S(=O)(=O)NOCCCl)nn1	1888308182	OHVCYCLURSDJID-UHFFFAOYSA-N	240.672	-0.736	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1Cl	1893453824	RCKPTJFXNKKUMI-BWZBUEFSSA-N	220.700	-0.348	50	10	BBGE	
CN1CC(COCc2ccc(B(O)O)s2)C1	1899515815	OMSCJLLXPLNWAP-UHFFFAOYSA-N	241.121	-0.494	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CCCCC1	1900452519	SKYFTOLOJCYPKR-UHFFFAOYSA-N	240.093	-0.551	50	10	BBGE	
O=C(NCC1(F)CC1)c1cnsc1B(O)O	1900474862	LXKMVFVFEOCDCZ-UHFFFAOYSA-N	244.056	-0.945	50	10	BBGE	
OB(O)c1csc(COC[C@H]2CCCO2)n1	1902653718	OKGKLWDFOULGDE-SSDOTTSWSA-N	243.093	-0.482	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)[C@H](C)C1)C(=O)NN	1902715946	MLKQTPYKEARSLH-FXPVBKGRSA-N	229.324	-0.295	50	10	BBGE	
N=C(C[C@@H](O)CNC[C@H]1C[C@H]1Cl)NO	1903813243	CAKRTKNIAVHFNT-FSDSQADBSA-N	221.688	-0.090	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)c1csc(B(O)O)c1	1905063342	OEUXZMDLHFPPRC-KNVOCYPGSA-N	243.068	-0.342	50	10	BBGE	
CC[S@](C)(=O)=NCC(F)(F)C(=O)NN	1913890213	PEMAYEXBUDNADP-AWEZNQCLSA-N	229.252	-0.271	50	10	BBGE	
C[C@H](CN1CC[C@@]12CCOC2)C(=O)NN	1915573632	RWSXBLMKBBLCID-SCZZXKLOSA-N	213.281	-0.523	50	10	BBGE	
NNC(=O)C(=O)N1CCC(CCF)CC1	1927930050	HKICEVDEEYSSJA-UHFFFAOYSA-N	217.244	-0.426	50	10	BBGE	
C[C@H](CN1CC2(CSC2)C1)C(=O)NN	1928605172	JIGLWGICELJNRM-SSDOTTSWSA-N	215.322	-0.339	50	10	BBGE	
O=C(O)[C@@H](Cl)CN1C[C@@H]2OCCO[C@@H]2C1	1930263376	XVQJOXKAVRJQHE-BIIVOSGPSA-N	235.667	-0.222	50	10	BBGE	
CC[C@H]1COCCN(CCC(=O)NN)C1	1933534288	XFGMPIRVUIVTGN-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1	1934791956	GPRZMESBJTYQLT-YFKPBYRVSA-N	221.207	-0.472	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1COCCO1	1935544860	AXSZKWLIEDJCPI-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
CC1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936090040	FVSGINZPOKDCBW-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
CC1(C)COCCN1C[C@@H]1C[C@H]1C(=O)NN	1936093591	FYCRYZDZRWJVRR-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](C(=O)N1CCC(O)(C#N)CC1)N(C)C	1938396310	HHCQYRLNYOTPDK-SECBINFHSA-N	225.292	-0.186	50	10	BBGE	
COC[C@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)OC	1941088433	QLZKHLWZEUXDHF-LPEHRKFASA-N	245.323	-0.794	50	10	BBGE	
CN(C)C=NC(=C(C#N)C=O)N1CCOCC1	1951308310	DNRCRNHFFDDLQG-UHFFFAOYSA-N	236.275	-0.157	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCO[C@H]21)N1CC[C@@H](B(O)O)C1	1951321845	JJMSXBKUJMGOCY-BZNPZCIMSA-N	225.053	-0.903	50	10	BBGE	
CNC(=O)[C@H]1COCCN1CCCl	1954820510	JCGQMABCDNJHJX-SSDOTTSWSA-N	206.673	-0.328	50	10	BBGE	
CN(C(=O)NN)[C@@H]1CCCCNC1=O	1956861421	IXLFLXPFEYOFDD-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
CSCCSc1ncncc1B(O)O	1956956389	XMAIUAPYMWXTJI-UHFFFAOYSA-N	230.123	-0.389	50	10	BBGE	
CO[C@@H]1CN(C[C@H](O)CCl)[C@@H]2COC[C@@H]12	1958122898	QNPNPPQZEKHJOB-ZYUZMQFOSA-N	235.711	-0.068	50	10	BBGE	
COCCOC[C@@H]1CCCN1C(=O)NN	1958305848	OMSBDLBSYPACPI-QMMMGPOBSA-N	217.269	-0.303	50	10	BBGE	
C[C@@H]1CN([C@@H](C)C(=O)NN)CC[C@H]1CO	1960270200	UVAWTVDXNIKQTI-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](O)CC1(C)C	1961240128	RFQNJTTZHJTEHF-SFYZADRCSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CO)C[C@H]1C	1961683415	IBCANJMIOSWFLB-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CC1CN(c2ncc(B(O)O)cc2F)C1	1961717991	ITWVSILADUHDID-UHFFFAOYSA-N	210.017	-0.643	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ccncc1B(O)O	1961777079	GRXHLAAMSGTGJD-XCBNKYQSSA-N	206.054	-0.394	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961917162	SLHDSYSKXRAEMB-CIQUZCHMSA-N	230.695	-0.067	50	10	BBGE	
C#CC1(NC(=O)c2cc(B(O)O)ccc2F)CC1	1963751019	FFRXSDUYZUPIGE-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
NNC(=O)C(=O)NCCC(F)(F)C(F)(F)F	1979477021	NQLYPJGYEAVNTM-UHFFFAOYSA-N	249.139	-0.320	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCO[C@@H](CF)C1	1981248406	LKDRYNQAYUYXEL-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CC(C)OCCOc1ccc(B(O)O)cn1	1981430960	UHKPRDNUDLUPBD-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1[C@H]2COC[C@H]21	1982276276	KCKVJYKQPFXQHF-WUNNTHRKSA-N	223.228	-0.452	50	10	BBGE	
COC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1C	1982501392	ZRBXGEIKWXQPAV-GUBZILKMSA-N	229.324	-0.173	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](F)[C@@H](CO)C1	1983561474	ZPVHLIFLOWZMER-HRDYMLBCSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@@H]2C1=O	1984122446	VRBMLAYGLDNVEG-RITPCOANSA-N	233.218	-0.520	50	10	BBGE	
CC[C@H](CN(C)C[C@@H]1C[C@@H]1C(=O)NN)OC	1987968150	QBRFQUGDICLOIH-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
CCOC(=O)Nc1ncc(B(O)O)c(C)n1	1988513706	UTWKPEPWQQZTDL-UHFFFAOYSA-N	225.013	-0.967	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O	1991679671	LYOSXMKJOLEUKZ-JHFCWAQUSA-N	245.706	-0.186	50	10	BBGE	
CN(C)C[C@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1996853821	SRWOCNYPEYVVJO-MXWKQRLJSA-N	240.351	-0.362	50	10	BBGE	
N#CC1(O)CCN(C(=O)N(O)CC(=O)O)CC1	1999826362	DLIHEYXAJOINBH-UHFFFAOYSA-N	243.219	-0.767	50	10	BBGE	
CN(C)NC(=O)c1ncc(C#CCO)cc1F	2002338998	DHWLHQBCWGUATL-UHFFFAOYSA-N	237.234	-0.229	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](c2ccnn2C)C1	2004399412	PKULGOYMHLTRBJ-RKDXNWHRSA-N	237.307	-0.412	50	10	BBGE	
OB(O)c1cnc(N2CCCCC23CC3)nc1	2004910897	AAZGXPRPXTUSFI-UHFFFAOYSA-N	233.080	-0.321	50	10	BBGE	
CCCN(CC1CC1)c1ncc(B(O)O)cn1	2004910931	AJFMVYFFNZELKQ-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
Cc1cc(N2C[C@H](F)[C@H](F)C2)ncc1B(O)O	2005014084	GEROPDZFGSZKPW-DTORHVGOSA-N	242.034	-0.434	50	10	BBGE	
COc1cccc(CN2CC(=O)OC(=O)C2)n1	2010854074	GELAISCPLHXAIH-UHFFFAOYSA-N	236.227	-0.024	50	10	BBGE	
N#CCC1CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	2013465952	LKGAPXVBKFEJPW-VHSXEESVSA-N	238.291	-0.631	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](C2(O)CC2)C1	2013930192	UOWBBLDRVYYVDM-OPRDCNLKSA-N	239.319	-0.541	50	10	BBGE	
CC[C@@H]1CCOCCN1CC(=O)NNC(C)=O	2019218436	FUGOGROWBWKELU-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)NCC=CB(O)O)C1	2020068238	PEMIVRILQXDLOU-SECBINFHSA-N	237.068	-0.500	50	10	BBGE	
C=C(CN1CCO[C@H]([C@H]2CCCO2)C1)B(O)O	2021158910	KHEQJDOAYGRYHE-MNOVXSKESA-N	241.096	-0.566	50	10	BBGE	
NNC(=O)COCCOC[C@H]1C[C@@]12CCOC2	2021273829	PFACGSBMXFOZEK-MWLCHTKSSA-N	244.291	-0.564	50	10	BBGE	
COc1cc(C)c(Cn2cc(B(O)O)cn2)cn1	2034473718	ZAKKTNBCHSTSRE-UHFFFAOYSA-N	247.063	-0.677	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c1B(O)O	2052472029	PNFORDZYPVXFQN-RCWTZXSCSA-N	244.103	-0.086	50	10	BBGE	
C=C1COC[C@H]1NC(=O)c1ccccc1B(O)O	2079008139	FGFRYJOEHMMXBE-LLVKDONJSA-N	247.059	-0.949	50	10	BBGE	
Cc1cnc(-n2ccnc2C)cc1B(O)O	2212596850	XGWWNFYEKPUXDR-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CC(C)=C(F)CNc1ncc(B(O)O)cn1	2212601423	NUUWJQHYJXILJN-UHFFFAOYSA-N	225.032	-0.168	50	10	BBGE	
OB(O)c1ccnc(Oc2cccnc2)c1	2212608959	NCRRGHIGWWFWAD-UHFFFAOYSA-N	216.005	-0.051	50	10	BBGE	
CC(C)[C@H]1CCN1c1cc(B(O)O)ccn1	2212616032	YMBJSAAMLJSYIJ-SNVBAGLBSA-N	220.081	-0.004	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)[C@H]1C[C@@H](O)C1	2212783133	NMZVCDFGCHNXCB-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CN1CC[C@H]2[C@H](C[C@H]2O)C1)C(=O)NN	2213023723	FCMKGTSWUMBQTG-KXUCPTDWSA-N	241.335	-0.295	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C(C)(C)C(N)=O	2215772329	NKLGYEBZNYRPKB-SFYZADRCSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H]1C[C@H](O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215775235	ZSJJLCRRYFKTBV-ZNSHCXBVSA-N	241.335	-0.295	50	10	BBGE	
CCO[C@@H](C)CNc1nccc(B(O)O)c1F	2217180671	JGTLXLQEUPWTEC-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
CCN[C@H](C)CNc1cc(B(O)O)c(C)cn1	2217184889	XDROYBUANAQGTP-SECBINFHSA-N	237.112	-0.520	50	10	BBGE	
Cc1ccncc1Oc1ncc(B(O)O)cn1	2217188392	NPMLXZTWEUNSGG-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
CCC[C@H](CN)COc1cc(B(O)O)ccn1	2217195445	KFGNFQZTTPZDQV-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)nc1	2217199004	JAUSIVUELAHDPJ-SSEFDENASA-N	231.064	-0.777	50	10	BBGE	
CC(C)(C)OCCNc1cc(B(O)O)ccn1	2217199189	KMRPBEKOVWHDRS-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
C[C@@]1(CNc2ncccc2B(O)O)CCCO1	2217203962	CJZLELJDSYLLAL-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
CNC[C@@H]1CCCCN1c1cc(B(O)O)ccn1	2223634332	JGXIEHUAJLGFBK-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
CCN1CC[C@@H](N(C)c2cc(B(O)O)ccn2)C1	2223669656	MKYQDVWSZLDRPL-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
CC[C@]1(Nc2cc(B(O)O)ccn2)CCCNC1	2223670827	DCAMDDBKRHEHBY-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
CCN(C)C(=O)c1sccc1B(O)O	2241467819	BKIXZDPZASGKOD-UHFFFAOYSA-N	213.067	-0.480	50	10	BBGE	
COC[C@H](O[C@H](C)COC(F)F)C(=O)NN	2242793006	KPNYKDGUYCVQMC-RITPCOANSA-N	242.222	-0.364	50	10	BBGE	
C[C@]12CC[C@@]1(C)CN(C(=O)C#CB(O)O)C2	2243350015	UIGJEBBOFVBUNV-PHIMTYICSA-N	221.065	-0.350	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1ccoc1B(O)O	2243356796	NADPCIJQVXMKBY-CAHLUQPWSA-N	243.455	-0.684	50	10	BBGE	
CN(Cc1cnc[nH]1)C(=O)C1(B(O)O)CC1	2243363988	PMHZHFVYHLTAEX-UHFFFAOYSA-N	223.041	-0.625	50	10	BBGE	
CON(C)C(=O)c1c(F)cccc1B(O)O	2243367024	MGUSGLDUEMGFCR-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243397158	WPEXGJFYJBMLFH-OMMKOOBNSA-N	236.986	-0.084	50	10	BBGE	
CC(C)(C)CNC(=O)c1ccoc1B(O)O	2243399412	LSBFTJGNKKAKQI-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1ccoc1B(O)O	2243400022	UTNMIIHJUKDCOD-SSDOTTSWSA-N	223.037	-0.512	50	10	BBGE	
O=C(NC[C@H]1CC[C@H](O)C1)C1(B(O)O)CC1	2243410291	YUHDHYJJDLNWHG-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C(=O)C1(B(O)O)CCC1	2243410437	BNJFVFXRVOLUJO-YUMQZZPRSA-N	227.069	-0.635	50	10	BBGE	
CCC[C@H](N)CNC(=O)C1(B(O)O)CCC1	2243411072	NGWLNONPYLKYPE-QMMMGPOBSA-N	228.101	-0.373	50	10	BBGE	
C=C(CS(=O)(=O)NCC=CC1CC1)B(O)O	2243412938	WJOHLBFSPNVBJH-UHFFFAOYSA-N	245.109	-0.560	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@]1(C)C[C@@H]1C)B(O)O	2243413108	ZTDCCMXCKNRVRG-CBAPKCEASA-N	247.125	-0.480	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCO[C@@H]2C[C@H]21	2243416746	MLAPUVRIWDTWLI-BZNPZCIMSA-N	225.053	-0.761	50	10	BBGE	
C[C@@H](C[S@](C)=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427493	WKLVCUYXVSLGQY-MKBRYRQJSA-N	247.125	-0.877	50	10	BBGE	
CC(F)(F)CNC(=O)c1cc(B(O)O)co1	2244221713	ONKZPQFJUKOCMM-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
COC[C@H](SC[C@@H]1NCC[C@@H]1C)C(=O)NN	2245080453	DHKJJULRNUKINR-CIUDSAMLSA-N	247.364	-0.278	50	10	BBGE	
O=C(c1cscc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2247733885	DSACGTKPIMKPCV-YUMQZZPRSA-N	249.100	-0.172	50	10	BBGE	
CN(C)C(C)(C)CNC(=O)C1(B(O)O)CCC1	2247735535	ZWMGCCNWGQVBSG-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
Cn1cncc1CNC(=O)C1(B(O)O)CCC1	2247736273	UDTJNHWLPDAPJM-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
COC[C@@H]1CC[C@H](CNC(=O)C#CB(O)O)C1	2247741129	VDFJFWALOMXFJJ-VHSXEESVSA-N	239.080	-0.819	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)CC1)C1(B(O)O)CC1	2247750305	HGHIKYKRTOGHSR-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1occc1B(O)O	2247750919	PWTSIGQPTQCKPI-WRWORJQWSA-N	235.048	-0.368	50	10	BBGE	
C[C@@H]1CC[C@@H](CO)N(C(=O)C2(B(O)O)CC2)C1	2247751311	WDNDIBXGGUOULR-BDAKNGLRSA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1occc1B(O)O	2247757265	PYSSLOLWHDOLMX-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cccc(C)c1B(O)O	2247761952	YMFNJRJGPRCELF-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1n[nH]cc1B(O)O	2247781519	LSXQYVJPEYIJBW-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
COCCN(CCF)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785388	KAVDLNCYMZTNTF-DTORHVGOSA-N	247.075	-0.316	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@H]2C)oc1B(O)O	2247788591	IIMPNHICFKLIOE-MRVPVSSYSA-N	237.064	-0.108	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H]1O	2247791830	OZPHMHHTDRAGOU-UYXSQOIJSA-N	241.096	-0.485	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247805774	LANGQYLIASFUKG-BMNUFHGDSA-N	240.112	-0.375	50	10	BBGE	
CC(C)C[C@H](CN)NC(=O)C1CC(B(O)O)C1	2247806516	FQBGBICISNTCJZ-UDNWOFFPSA-N	242.128	-0.271	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247807761	JBEFLCMEGDDKFT-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCOC1	2247808701	LWMDOLTYHWLYDW-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
CCCN(C)C(=O)c1ccc(F)cc1B(O)O	2247875943	GIJLFJFZXRMNDD-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2c[nH]nc2B(O)O)C1	2247893630	VURMNFHNUKXMMZ-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247895231	QCRFWLDWSBEXCI-XFWSIPNHSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H](CCC(=O)O)NC(=O)C1(B(O)O)CC1	2248574897	WARNAIVWXVRHCY-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
O=C(O)[C@@H]1CCC[C@H]1NC(=O)C1(B(O)O)CC1	2248585391	KNHRVHALYVBDCB-RNFRBKRXSA-N	241.052	-0.637	50	10	BBGE	
CCC1(N(C)C(=O)c2ncc(B(O)O)cn2)CC1	2255476575	MVKMPUMBEBVHDT-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C=C[C@H](NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255516007	FVACLQPSYKCSDD-JTQLQIEISA-N	246.075	-0.544	50	10	BBGE	
C[C@@H](NC(=O)c1ncccc1B(O)O)C1CCC1	2255517639	WYFINJZXDPNVRR-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1cncc(B(O)O)c1	2255522357	IUUVZMIDWKIUFX-LLVKDONJSA-N	248.091	-0.224	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cncc(B(O)O)c2)C[C@H]1C	2255522556	LKOUOIBVJDUUAN-RKDXNWHRSA-N	248.091	-0.511	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1n[nH]cc1B(O)O	2255549846	YMMKCNUAUKYYLE-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
NCc1cccnc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2255557048	YWVZDLCRNIYOJT-DTORHVGOSA-N	249.079	-0.268	50	10	BBGE	
CN(Cc1cnccn1)C(=O)C1CC(B(O)O)C1	2255578680	JKJRLOHADSPPFC-UHFFFAOYSA-N	249.079	-0.312	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H](C)C2CC2)c1B(O)O	2255581471	OTNUQHGYOKPOGZ-MRVPVSSYSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCCCC12CC2	2255689584	NCXCTRIDQSVWAA-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(C)cc1B(O)O	2255736599	QITDHJOBLFIBHH-SNVBAGLBSA-N	245.087	-0.019	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255742499	BVTVEBKXBZJJQD-VIFPVBQESA-N	249.075	-0.038	50	10	BBGE	
C=C1CN(C(=O)c2c(OC)cccc2B(O)O)C1	2255763108	GLAPMLAHCGAYNG-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
O=C(NC1(CC2CC2)CC1)c1c[nH]nc1B(O)O	2255792777	NEIWNXDTXJRORX-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1cc(B(O)O)co1	2258134850	PGOYAIVBKFGTPK-AXAMDJFUSA-N	247.059	-0.656	50	10	BBGE	
Cc1nnccc1CNc1cc(B(O)O)ccn1	2261257951	ZTWAURNNXRWHPC-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298164904	OVQPIQWELQPAKK-CIUDSAMLSA-N	242.323	-0.802	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376242	OCFFCWLUAIMIQC-SGIHWFKDSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1cc(B(O)O)co1	2301201361	LVYRYGYWQDVVLE-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)C(=O)NCC#CB(O)O	2301933530	TYVYWFMERYVGOZ-VIFPVBQESA-N	241.096	-0.839	50	10	BBGE	
CN1CCOC[C@@H]1CN1CC[C@@](C)(B(O)O)C1	2303153744	FVZZYDIYMGRDLS-WDEREUQCSA-N	242.128	-0.744	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@H](F)C2)ncc1B(O)O	2307282236	LHUNROTWZZSDAK-ZKCHVHJHSA-N	240.043	-0.408	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]c1	2313167538	CYAGXPMYBWFWEO-AEJSXWLSSA-N	247.107	-0.574	50	10	BBGE	
C#C[C@@H]1N(C(=O)c2occc2B(O)O)CC1(C)C	2314507964	UXSPVWRMCQWZQC-VIFPVBQESA-N	247.059	-0.557	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Nc1ncc(B(O)O)cn1)CO2	2315937080	XJFWGUJDYNQIOK-OVYXKVPISA-N	249.079	-0.864	50	10	BBGE	
CCC#CC(=O)N1Cc2ccc(B(O)O)cc2C1	2319240699	OPWOSUMKVKZFTJ-UHFFFAOYSA-N	243.071	-0.378	50	10	BBGE	
O=CNNC(=O)c1ccc([N+](=O)[O-])cc1	8569572	WTRKEYZWXSGRJT-UHFFFAOYSA-N	209.161	-0.014	50	10	BBGE	
C[C@H](Oc1ccc(CO)cc1)C(=O)NN	82465528	XPKUMNJKQBVALB-ZETCQYMHSA-N	210.233	-0.064	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](COc2cccnc2)O1	110565579	ASEFCHWTLNVWIS-VHSXEESVSA-N	237.259	-0.002	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	110603388	INQOEHWRTFTIKY-XHNCKOQMSA-N	241.291	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)N1C(=O)COc2ccccc21	113188966	CMKJOKIYCQPWRC-ZETCQYMHSA-N	235.243	-0.210	50	10	BBGE	
Cc1cc2ncc(C(=O)NN)c(N)n2n1	113363681	QUKPEVCLAXBUAS-UHFFFAOYSA-N	206.209	-0.777	50	10	BBGE	
OB(O)c1cc(Cn2cccn2)ccc1F	203175040	MGNQPFUUFTZGJB-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
COC[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	203524932	CZJIIYCUFNWYME-LBPRGKRZSA-N	249.119	-0.165	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CC(=O)NC(C)C	211807346	KNXJIDXYAFMOMB-VIFPVBQESA-N	244.339	-0.399	50	10	BBGE	
NNC(=O)[C@@H]1CCCCS(=O)(=O)C1	214735159	WZJKQCMMECDTMS-ZCFIWIBFSA-N	206.267	-0.809	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@](C)(O)CC1	230383864	GPQGKITXVKVDSX-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
OB(O)c1cnc(C2CCOCC2)nc1	238652915	NMQQCHCUWPDNRE-UHFFFAOYSA-N	208.026	-0.950	50	10	BBGE	
NC(=O)CS(=O)(=O)CCOCCCl	300803580	JMDDSGMRTUALNF-UHFFFAOYSA-N	229.685	-0.858	50	10	BBGE	
CCN(CCN)CC(=O)NNc1ccccn1	305937419	FKAJOTFKAWIVPO-UHFFFAOYSA-N	237.307	-0.195	50	10	BBGE	
O=C(N[C@]1(CCl)CCOC1)c1c[nH]nn1	307324513	HSOQWRUHJSZVJC-QMMMGPOBSA-N	230.655	-0.068	50	10	BBGE	
C[C@@H]1CC(=O)N/C(=C(/C#N)C(N)=O)[C@@H]1C#N	309059572	ZHIQCKNIGOYCBM-GFVAHDQBSA-N	218.216	-0.455	50	10	BBGE	
CCOC1(C)CCN(C(=O)C(=O)NN)CC1	309761092	MOGHVFPTRDXKQS-UHFFFAOYSA-N	229.280	-0.606	50	10	BBGE	
C/C(N)=C(\C#N)C(=O)C(=O)/C(C#N)=C(/C)N	383921981	LLNASDIMUCQSCH-SFECMWDFSA-N	218.216	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@H]2COC[C@H]21	384772405	BQSZNHMARLHJGY-HRDYMLBCSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CC[C@H]1C2	394447020	QPTDYWRCELMWIT-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
O=C(CCl)Cc1cccc(B(O)O)c1O	396026083	VXAHLZYNIRIUBK-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
COC(=O)Cc1cc(CCC#N)cc(B(O)O)c1	396039947	KQXIGWYJAHPNBU-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
Nc1csc2c(B(O)O)cc(C(=O)O)cc12	396247407	TWEMVSCFNAYEBU-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1O	399902461	LAAVZAQKNBJSSH-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)c1ccon1	405006698	SBFFMDFMZHWOGP-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CN(C)C(=O)NCc1sccc1B(O)O	405029906	OKYKUZIKAVZFAD-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
C[C@H](O)[C@@H]1CCCCN1CCCC(=O)NN	688636833	BXVDGILKMJHJIV-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
CCN1CC[C@H](N(C)[C@H](C)C(=O)NN)C1	689046491	FHNFYSDIMXHPFZ-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CN(CCNC(=O)OCCl)S(C)(=O)=O	692846962	XJLTUSMGGARPLA-UHFFFAOYSA-N	244.700	-0.200	50	10	BBGE	
O=C(OCCl)N1C[C@@H](CO)[C@@H](O)C1	692897624	YALNJZVNUQNZHR-WDSKDSINSA-N	209.629	-0.396	50	10	BBGE	
Cc1nn(Cc2cccc(O)c2)c(C)c1B(O)O	694277164	QYKHGIBKPUQSGO-UHFFFAOYSA-N	246.075	-0.066	50	10	BBGE	
Cn1nnc(C(=O)NCCCCCl)n1	697204922	YDZLQBDCHJAWLD-UHFFFAOYSA-N	217.660	-0.041	50	10	BBGE	
NNC(=O)CCN1CCC(N2CCC2)CC1	700438717	SHDLSVONGABEDD-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
COCCn1ccnc1C=NNC(N)=O	705232560	WJGGUHYASINVNS-UHFFFAOYSA-N	211.225	-0.468	50	10	BBGE	
COCC1CC(N2CC(=O)OC(=O)C2)C1	713915895	LAZMPMASSBSPSA-UHFFFAOYSA-N	213.233	-0.203	50	10	BBGE	
C[C@H](CN1CCS[C@H](CO)C1)C(=O)NN	720069809	QACIILUCMPCLJU-SFYZADRCSA-N	233.337	-0.978	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@]1(C)CO	723049058	RDZUYVNXOHNKJG-JTQLQIEISA-N	229.280	-1.000	50	10	BBGE	
C#C[C@@H](CO)NC(=O)/C(C#N)=C\OCC	854772057	OPSMZWNPPNJJNR-FUOZMLNRSA-N	208.217	-0.459	50	10	BBGE	
C[C@@H](Cc1ccco1)C(=O)NNC(=O)CO	857169564	IPAAALPEWSTKBK-ZETCQYMHSA-N	226.232	-0.402	50	10	BBGE	
Cc1nnc(NNC(=O)CCc2cnc[nH]2)n1C	1118883884	MPAVKMBZCNAEDB-UHFFFAOYSA-N	249.278	-0.077	50	10	BBGE	
Nc1cccnc1C(=O)NNC(=O)NC1CC1	1142319248	PERIRIYEZLETRS-UHFFFAOYSA-N	235.247	-0.230	50	10	BBGE	
O=C(CC1CSC1)NNC(=O)c1cnn[nH]1	1144480222	JQQWCCQCFZFDOY-UHFFFAOYSA-N	241.276	-0.681	50	10	BBGE	
CCONC(=O)NNC(=O)[C@H]1CCCCO1	1234543460	OOPIFADTSYHICX-SSDOTTSWSA-N	231.252	-0.163	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNc1nnc(C)n1C	1301229955	KJZOJBYOACEAAI-QMMMGPOBSA-N	238.295	-0.339	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NNC(=O)CO)CCO1	1472538143	QBTQRQVJBRNHHA-ZETCQYMHSA-N	230.264	-0.669	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCCCC(N)=O	1631398098	BIPSBUZDBPDKJU-UHFFFAOYSA-N	230.268	-0.666	50	10	BBGE	
C[C@H](Cl)CNC(=O)CC[C@H](N)C(=O)O	1866018179	VPZCRJPPHONPNW-WDSKDSINSA-N	222.672	-0.078	50	10	BBGE	
N=c1nn[nH]n1C[C@@H]1C[C@@H]1Br	1877389560	JBFWINIMDLLQOQ-IMJSIDKUSA-N	218.058	-0.131	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CC[C@@H]1O	1883626341	FHQBSXQIBKKVFU-WDSKDSINSA-N	203.625	-0.053	50	10	BBGE	
CCC[C@@H](OCCN(C)C)C(=O)NN	1884724279	FSHKURGJECETKF-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
C#C[C@@H](CCl)NS(=O)(=O)c1cn[nH]c1	1884831918	WOBVAXCTDRCYHX-LURJTMIESA-N	233.680	-0.071	50	10	BBGE	
CN(CCC(=O)NN)C1(CCO)CC1	1888151203	YQNBNOWRKYPVEA-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@@H]2COC[C@H]21	1889522812	FOVQPDLRIMKBCD-RNFRBKRXSA-N	241.696	-0.388	50	10	BBGE	
C[C@H](O)CCCN1CC[C@H](B(O)O)C1	1891492758	PRJLVNIALPPKHX-IUCAKERBSA-N	201.075	-0.304	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@@H]2Cl)[nH]c1=N	1892905900	WNEWVDCRLOEHMT-UHNVWZDZSA-N	201.661	-0.311	50	10	BBGE	
O=C(OCCl)N1C[C@H](O)[C@H](O)[C@H]1CF	1905009473	NMRFIPIWKXYTCF-NGJCXOISSA-N	227.619	-0.305	50	10	BBGE	
CC(C)(CCN1C[C@@H]2C[C@@H]2[C@@H]1CO)C(=O)NN	1910401437	VHEKBAKRSUFZFP-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](Cl)C(=O)N(CCO)C1COC1	1915688222	GYHGTBQZRPIYSF-LURJTMIESA-N	207.657	-0.167	50	10	BBGE	
Cc1nnc(NNC(=O)C(F)(F)F)nc1O	1923383408	QIAHFDPBVAPOIH-UHFFFAOYSA-N	237.141	-0.109	50	10	BBGE	
NCCNCCSCCCCC(=O)NN	1923484406	BVVIJKNQCRQONG-UHFFFAOYSA-N	234.369	-0.572	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC(O)CC1	1927815891	DHSJFBOKPPSDIH-UHFFFAOYSA-N	223.223	-0.932	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](O)[C@H](F)C1	1929909579	HQUQUBKFJOCBEQ-HTQZYQBOSA-N	219.260	-0.839	50	10	BBGE	
CC[C@@]1(C)CN([C@H](C)C(=O)NN)CCO1	1932354296	CWCXNXMHRQEZNP-SCZZXKLOSA-N	215.297	-0.134	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCOC1	1936095515	XWBQQSJQNFTKGF-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSc1nccc(O)n1	1936095543	YDKOTUSTJYFVJH-WDSKDSINSA-N	240.288	-0.100	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@H](OCC(N)=O)C1	1936462666	DJCIAPPLQHAPQU-YUMQZZPRSA-N	248.710	-0.036	50	10	BBGE	
NNC(=O)COCCN1CCC(F)(F)CC1	1936531456	UAYMPLOXJZSMNL-UHFFFAOYSA-N	237.250	-0.276	50	10	BBGE	
CN1C[C@@H]2CN(CC(F)(F)C(=O)NN)C[C@H]2C1	1940893552	ZAQIJRKQLJLPEJ-HTQZYQBOSA-N	248.277	-0.895	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCCC[C@H]1O	1941088372	PXNYNAYTNZRCJY-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@H](CCO)C1	1941088834	SEJIVPCGXAKASP-HBNTYKKESA-N	241.335	-0.293	50	10	BBGE	
CN(C[C@H]1COCCO1)CC1(C(=O)NN)CC1	1945891261	FDVHCPZCRAZTGX-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
CN(Cc1cnccn1)CC1(C(=O)NN)CC1	1945912180	HIJNFBOHDDGNII-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
O=C(Cl)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21	1953758090	IONQOYHEEBLBRA-ZXFHETKHSA-N	209.654	-0.022	50	10	BBGE	
NC(=O)C1(N=c2[nH]nc(CCl)o2)CC1	1955422667	WAUVJESMQZWFQF-UHFFFAOYSA-N	216.628	-0.340	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC12CCC2	1957699597	PAOBVNMATDCPHN-ZETCQYMHSA-N	211.265	-0.327	50	10	BBGE	
O=C(CCn1cnnn1)N[C@@H]1C[C@@H]1CCl	1957830557	ALERFYZEPMKYSK-RNFRBKRXSA-N	229.671	-0.193	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2C[C@@H]21	1961696912	TTYISWBMVVNGMK-XVKPBYJWSA-N	204.038	-0.640	50	10	BBGE	
C[C@]1(C(F)(F)F)CNC[C@@H]1C(=O)NN	1968304108	ASUCDZSVBHSHEY-XINAWCOVSA-N	211.187	-0.236	50	10	BBGE	
NNC(=O)C(=O)N(CCO)Cc1ccsc1	1981030479	OBZMOQREGMDBQF-UHFFFAOYSA-N	243.288	-0.941	50	10	BBGE	
NNC(=O)CN1CCN([C@H]2CCSC2)CC1	1981082383	JMYPAUJKFQQHDM-VIFPVBQESA-N	244.364	-0.901	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1[C@H]2COC[C@H]21	1982276273	KCKVJYKQPFXQHF-ANZWQOBJSA-N	223.228	-0.452	50	10	BBGE	
C[C@H]1[C@H](O)CN1Cc1ccc(C(=O)NN)s1	1985738444	AIWCBFXUNODRPA-POYBYMJQSA-N	241.316	-0.083	50	10	BBGE	
Cc1cc(CN(C)CC(=O)NN)nnc1C	1986913088	IPEQGLHPRSRVAE-UHFFFAOYSA-N	223.280	-0.485	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C)(C[S@](C)=O)C1	1987038858	UZBKRHQHUJZBNM-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
Nc1[nH]c(-c2nc[nH]n2)nc(=O)c1CCCl	1987436742	FHPLJLBTYNZDCK-UHFFFAOYSA-N	240.654	-0.082	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)c1ncc(F)cc1B(O)O	1988005421	ZKNYJTJXHLDIMR-MUWHJKNJSA-N	224.044	-0.255	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC2(CCCC2)O1	1988397482	SSMXDNWATVXDKF-SSDOTTSWSA-N	227.264	-0.806	50	10	BBGE	
OB(O)c1ccn(C[C@@]23CC[C@@H](CO2)C3)n1	1989942770	BCASDAIVTFTDLL-SCZZXKLOSA-N	222.053	-0.868	50	10	BBGE	
C[C@@H](N)CSC[C@H]1CCC[C@H](C(=O)NN)O1	1990164382	MQWHWGBMHWTAOF-IWSPIJDZSA-N	247.364	-0.006	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CS[C@H](C)C1	1990746271	VCXXAAHUGCAMLH-VXNVDRBHSA-N	245.348	-0.021	50	10	BBGE	
CCOCCN(CC)CC(=O)NNC(C)=O	1990774577	KSPPZGUDNVQWIF-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
OB(O)c1cnn(CCC[C@@H]2CC2(F)F)c1	1991011700	SINDNYODDBQPAL-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CCSC1	1991330979	NOWRHZRODPCPDK-APPZFPTMSA-N	241.121	-0.044	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2Cl)C[C@H]1C(=O)O	1991693071	LCVFMPZPXZZRJQ-PRJMDXOYSA-N	246.694	-0.159	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(n2cncn2)C1	1991702627	WPJWEVFDXGFNIG-OWOJBTEDSA-N	240.650	-0.017	50	10	BBGE	
CN1CCN[C@@H](CNC(=O)/C=C/C(=O)Cl)C1	1991702999	BCTUICZXZCAKIT-SGJFDWMWSA-N	245.710	-0.672	50	10	BBGE	
C=C(CN1CC(c2ccn(C)n2)C1)B(O)O	1992144810	DWYXDAGEPJTYNL-UHFFFAOYSA-N	221.069	-0.613	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@H]2C2CCC2)c1	1992935175	VHAQBVVEFZTWEL-MWLCHTKSSA-N	220.081	-0.001	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C[C@H]1CC[C@H](C(=O)NN)O1	1997684769	YGVNQBBGXIZMTI-UTINFBMNSA-N	245.298	-0.044	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000815605	WBZKJAPVEPNIIU-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@]12CCOC2	2004917870	GBWPLJVBNWAUBK-NSHDSACASA-N	234.064	-0.869	50	10	BBGE	
CCCOCCOc1ccc(B(O)O)c(C)n1	2004935144	KTAXOWNAMOXYIM-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)C[C@H]1[C@@H]2COC[C@@H]21	2006202167	ZBGPVWKTLNHWFE-ILAIQSSSSA-N	239.319	-0.563	50	10	BBGE	
COC[C@@H]1CN([C@H](C)C(=O)NN)CC(C)(C)O1	2008482802	VJFDPKNQGBPJKS-BDAKNGLRSA-N	245.323	-0.509	50	10	BBGE	
CC1(F)CC(Cn2cc(B(O)O)ccc2=O)C1	2013155000	WVPZGRUQAVSCGN-UHFFFAOYSA-N	239.055	-0.334	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1CCCOC1	2014928143	DGFHBAHDLZHCJM-MRVPVSSYSA-N	241.027	-0.542	50	10	BBGE	
Cc1nccn1CC12CC(C(=O)NN)(CO1)C2	2023837702	KSMIPYZMPNCWNJ-UHFFFAOYSA-N	236.275	-0.269	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1ncc(B(O)O)cn1	2025753097	NYXIVYVACXQKKB-GMSGAONNSA-N	239.059	-0.659	50	10	BBGE	
COCC1(C(=O)Nc2ccccc2B(O)O)CC1	2040264770	HCKQIMQUAIEGEB-UHFFFAOYSA-N	249.075	-0.269	50	10	BBGE	
OB(O)c1cnccc1N1CCO[C@@H]2CCC[C@H]21	2052487743	PIWBWFDDTKPSCM-VXGBXAGGSA-N	248.091	-0.481	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H](N(C)C)C2)n1	2052622823	AUPQILAHZFRQPY-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
NNC(=O)CCN1Cc2ccccc2[C@@H](CO)C1	2056058634	YKRXSGHKQYHRIG-LLVKDONJSA-N	249.314	-0.042	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2c(c1)COC2	2077492005	HPIVUHCKRMUNIQ-UHFFFAOYSA-N	245.043	-0.538	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1cc(B(O)O)ccn1	2212600340	BZDNSBMKSBENSX-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
OB(O)c1ccnc(N2CCSCC2)c1F	2212603610	HJTJIAXRMGZLGV-UHFFFAOYSA-N	242.084	-0.546	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@H]3C[C@H]32)c1	2212604400	VTEUOMNXEHIHME-FXBDTBDDSA-N	218.065	-0.028	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H](CF)C1	2212610758	OMVBYIVEHIUZTM-OCAPTIKFSA-N	224.044	-0.079	50	10	BBGE	
COC1(CF)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215772880	QORMDNVCDBZTJZ-RKDXNWHRSA-N	245.298	-0.327	50	10	BBGE	
CC1CC(CO)(Nc2ncccc2B(O)O)C1	2217177910	OZEHJFNAGOBPOA-UHFFFAOYSA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(N(C)[C@H](C)CCO)cc1B(O)O	2217181552	RQTZWNJMJRDWKJ-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
Cc1cnc(N[C@H]2[C@H]3COC[C@H]32)cc1B(O)O	2217182005	XWORVIJKWZSKRG-AKZRSSKFSA-N	234.064	-0.873	50	10	BBGE	
C[C@H]1[C@H](Nc2nccc(B(O)O)c2F)C1(F)F	2217184555	QADOMLDKZJUQFT-FFWSUHOLSA-N	245.997	-0.034	50	10	BBGE	
C#CC[C@H](Nc1ncccc1B(O)O)C1CC1	2217196526	HAONBPXZKIBULB-NSHDSACASA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CO[C@H]3C[C@@H]2C3)c1	2217203855	AZTUYZJBSKAUQK-SFGNSQDASA-N	234.064	-0.649	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)[C@H]1CO	2220060721	YZYRGDQBYABNSR-MFKMUULPSA-N	249.119	-0.431	50	10	BBGE	
N[C@H]1CN(Cc2cccc(B(O)O)c2)CC12CC2	2220071088	JDCNAMLVYNODGP-LBPRGKRZSA-N	246.119	-0.711	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(c1ncccc1B(O)O)C2	2222842008	HEJHSBUVBIXMTK-SKDRFNHKSA-N	248.091	-0.623	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](Nc3cc(B(O)O)ccn3)C[C@H]12	2223631995	DKCWLNVCAUEERJ-DMLMCSCLSA-N	247.107	-0.701	50	10	BBGE	
C=C[C@]1(O)CCN(c2cc(B(O)O)c(C)cn2)C1	2223651173	ATPZSYDEFQAXKS-LBPRGKRZSA-N	248.091	-0.803	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCC[C@@H](C2)OC3)nc1	2223667326	PFTDJBHYJNXIAZ-ONGXEEELSA-N	249.079	-0.720	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CC[C@H](C1)N2	2223674024	ITGXQBISCMEAMP-MYJAWHEDSA-N	247.107	-0.544	50	10	BBGE	
CO[C@H]1C[C@@H]1NS(=O)(=O)N1CC(Cl)C1	2241338708	QHKFAZWOOFXQOK-BQBZGAKWSA-N	240.712	-0.469	50	10	BBGE	
CC(C)NC(=O)c1ccc(F)cc1B(O)O	2243367026	MIOPCRQJWOQWKK-UHFFFAOYSA-N	225.028	-0.356	50	10	BBGE	
CCC[C@H](C)NC(=O)c1c[nH]nc1B(O)O	2243372064	CCRADHQADLUXSB-LURJTMIESA-N	225.057	-0.992	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381729	IXAXFHDBGDKGLT-LURQLKTLSA-N	226.085	-0.813	50	10	BBGE	
CCN(CCCCO)C(=O)[C@H]1C[C@H]1B(O)O	2243391212	HUYFLXOYDSEJCI-DTWKUNHWSA-N	229.085	-0.530	50	10	BBGE	
C#CCSCCNC(=O)C1CC(B(O)O)C1	2243396940	SQBGJYWRGPDWOR-UHFFFAOYSA-N	241.121	-0.278	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNC(=O)C1(B(O)O)CC1	2243410515	CNWIDGZBIHWORQ-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
C=C1CC(CNS(=O)(=O)CC(=C)B(O)O)C1	2243420191	NZZRSWSIDGOBNZ-UHFFFAOYSA-N	245.109	-0.560	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)sc1C	2243420243	PBMSIIQPLMTQQT-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)CCO	2243426123	FGQFODWBEXNJKM-YUMQZZPRSA-N	229.085	-0.531	50	10	BBGE	
C=CCC(=O)NCc1ccccc1B(O)O	2243663331	GTVNDGYKPYWCMF-UHFFFAOYSA-N	219.049	-0.441	50	10	BBGE	
OB(O)c1cscc1CO[C@@H]1C=CCOC1	2244068832	PVUDVJRHKRMQQY-SECBINFHSA-N	240.089	-0.101	50	10	BBGE	
CSC1CC(C(=O)NCCC#CB(O)O)C1	2244551460	FYJXNTMNFJMGIS-UHFFFAOYSA-N	241.121	-0.350	50	10	BBGE	
COC[C@H](OC1(C2CC2)COC1)C(=O)NN	2245017178	WUTSORYVZGEOLR-QMMMGPOBSA-N	230.264	-0.813	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1ccnnc1	2245403837	XHDGXMHJYABGMS-SECBINFHSA-N	223.280	-0.323	50	10	BBGE	
N[C@@H]1CC[C@@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913019	KSLDFHJXCNKJLI-SFYZADRCSA-N	241.487	-0.684	50	10	BBGE	
CO[C@H]1C[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913571	UGWKQQIQCZFEGC-SFYZADRCSA-N	242.471	-0.386	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H](CF)C1	2247740301	IPBXBXNYJXFJPZ-SSDOTTSWSA-N	241.027	-0.609	50	10	BBGE	
O=C(N1CCN[C@@H]2CC[C@H]21)C1(B(O)O)CCC1	2247756403	LWDCKSZXNBOCOY-RKDXNWHRSA-N	238.096	-0.654	50	10	BBGE	
C#Cc1c(NC(=O)C2(B(O)O)CC2)cnn1C	2247757411	QKWDYXKOQHCOIU-UHFFFAOYSA-N	233.036	-0.653	50	10	BBGE	
CN(Cc1ccno1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787150	LPHZDSJWAIXEPK-OCAPTIKFSA-N	238.052	-0.114	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)O1	2247810651	ZAWKLOAUIVYLTM-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)CCO1	2247849466	AEAVIWSQJSWWHS-ZJUUUORDSA-N	239.080	-0.582	50	10	BBGE	
O=C(N1CC[C@@H]2[C@@H](O)C[C@@H]2C1)C1(B(O)O)CC1	2247854597	FNUFZNUZYRAJKA-VGMNWLOBSA-N	239.080	-0.777	50	10	BBGE	
CC[C@H]1C[C@@H]1CNC(=O)c1ccoc1B(O)O	2247867170	ZVVBNELZRUIVAS-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
O=C(N[C@@H]1CC=CCC1)c1coc(B(O)O)c1	2247871419	AZYFYLGRVCEJQC-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
O=C(NC[C@@H]1CCCNCC1)C1(B(O)O)CC1	2247872139	NNNBKBLRWYSULJ-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
CC(C)[C@H](NC(=O)C1(B(O)O)CCC1)C(N)=O	2247880397	ZZDINXJBPYBPRV-ZETCQYMHSA-N	242.084	-0.990	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)ccc1O	2248028414	JNAFIUXKVLUCBO-UHFFFAOYSA-N	239.036	-0.687	50	10	BBGE	
CC=CC(=O)N1Cc2ccc(B(O)O)cc2C1	2248397242	JFBNGVZPHPZKKV-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
O=C(NC[C@H]1C[C@H](C(=O)O)C1)[C@@H]1C[C@@H]1B(O)O	2248589319	OREQDSXJDGYNKB-XUTVFYLZSA-N	241.052	-0.924	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CC1)c1ccncc1B(O)O	2255453073	OMIDFJSTRZTTIW-KOLCDFICSA-N	246.075	-0.710	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccco1	2255465850	PNUCTKHURHWWBP-SSDOTTSWSA-N	248.047	-0.222	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)o1	2255468131	WMEWLTILZRHJEH-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
Cc1cc(C(=O)O)ccc1NC(=O)C#CB(O)O	2255676214	NGYRIYYTZKWNHL-UHFFFAOYSA-N	247.015	-0.353	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2255725066	JYCRQZUFJPOKJS-VIFPVBQESA-N	246.075	-0.591	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1occc1B(O)O	2255740743	FIOGLAKYYLJCPL-WCBMZHEXSA-N	249.075	-0.122	50	10	BBGE	
Cc1nnccc1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2261227405	ZYNKAPRVSJLCFP-WDEREUQCSA-N	249.318	-0.157	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc1	2298225748	UCMPKLJVIBYPQW-IVZWLZJFSA-N	234.064	-0.507	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298370394	YAPLUJFLOOMCFC-XFWSIPNHSA-N	241.096	-0.533	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](O)[C@H]1C2	2298371924	ZLDQMYNVKGRMBA-WLRJLXCNSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2298376726	LIZJEAFDDKZJEU-AXTSPUMRSA-N	240.112	-0.552	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@@H]21)[C@H]1C[C@H]1B(O)O	2298759080	HXWQJNHILGDWTH-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
CN1CC[C@@H]1COC[C@H]1CC[C@@H](C(=O)NN)O1	2299039619	HASYVPNKSJJZEA-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2299935632	YFHZSMNWUMODJI-YSSBGUOXSA-N	241.096	-0.389	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1cc(B(O)O)ccc1C	2301585531	KKPKRFFBNBLSPH-SNVBAGLBSA-N	237.064	-0.616	50	10	BBGE	
CC1CC(CN=c2cc(B(O)O)c(F)c[nH]2)C1	2303847113	CUPSMOJLEMVHOU-UHFFFAOYSA-N	238.071	-0.220	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)C(N)=O)cc1	5928576	MSQAXUKYGJJWQR-UHFFFAOYSA-N	221.216	-0.759	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc(F)ccc1=O	71516191	CLEUSHLSLOPFFJ-UHFFFAOYSA-N	227.195	-0.845	50	10	BBGE	
Cn1cnc(CCNC(=O)CBr)n1	87765262	IPUGAUNTXOOYKU-UHFFFAOYSA-N	247.096	-0.131	50	10	BBGE	
O=C1C[C@]2(CCS(=O)(=O)C2)C(=O)O1	108993198	YGIAAYOHJUILCD-ZETCQYMHSA-N	204.203	-0.735	50	10	BBGE	
C[C@H](CO)N(C)CC(=O)NNc1ccccn1	123178938	HKOUFYLYFBJJOI-SECBINFHSA-N	238.291	-0.163	50	10	BBGE	
NNC(=O)NCCC(=O)N1CCCCC1	163645061	LWEINVPLIFXECV-UHFFFAOYSA-N	214.269	-0.438	50	10	BBGE	
CC(=O)NCCc1cccc(B(O)O)c1	204678471	FEEOOCAWRKBHEW-UHFFFAOYSA-N	207.038	-0.955	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1ccn(C)n1	211907583	OAUDWMHJXGITJZ-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CC(C)[C@@H](NC(=O)NC(=O)[C@H](C)Cl)C(N)=O	231058813	RTTZTYFVOXXOAC-NTSWFWBYSA-N	249.698	-0.051	50	10	BBGE	
C=CCCOCCN1CC(=O)OC(=O)C1	231850646	FJJCNDXSYWFQJJ-UHFFFAOYSA-N	213.233	-0.036	50	10	BBGE	
CN1CCc2cccc(B(O)O)c2CC1	238340042	YEIVMMOMSBBQTQ-UHFFFAOYSA-N	205.066	-0.603	50	10	BBGE	
O=C(CCl)OC[C@H]1CN2C(=O)C[C@@H]2O1	238535080	KCGJRNLZPIQVQE-VDTYLAMSSA-N	219.624	-0.274	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	251077156	GOZWSSXOAGRPBI-VQVTYTSYSA-N	234.683	-0.692	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1C[C@H]2CC[C@H]1C2	252431613	MQXXPLNZHTZYSF-XSPKLOCKSA-N	225.292	-0.083	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@](C)(O)CC1	300238278	MMKMUJSHVJNPMG-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1COCC[C@@H]1N1CC(=O)OC(=O)C1	301023714	OKZZGBNPFBPRFW-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
CCC(=O)NNC(=O)c1cnns1	306335659	GLGARDKAIJAAJP-UHFFFAOYSA-N	200.223	-0.291	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@](O)(C(N)=O)C1	306780631	DGABVQCKEGJJRO-SVGQVSJJSA-N	220.656	-0.938	50	10	BBGE	
O=C(c1c[nH]nn1)N1CCOC[C@H](Cl)C1	307236079	UVYNSPNMNKXALA-ZCFIWIBFSA-N	230.655	-0.116	50	10	BBGE	
Nc1cc(O)c2c(B(O)O)csc2c1	307308516	WMHMGGQOWNASTF-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1NOC[C@@H]1Nc1nnc(CCl)o1	307442513	AINDPYLZXXIENC-VKHMYHEASA-N	218.600	-0.350	50	10	BBGE	
Cc1ccc(B(O)O)cc1COC1COC1	313837148	YUNHQRWGZWAGMP-UHFFFAOYSA-N	222.049	-0.410	50	10	BBGE	
CCN(CC(C)(C)C)C(=O)C(=O)NN	379596813	FWOZBIJQNQTIDZ-UHFFFAOYSA-N	201.270	-0.129	50	10	BBGE	
C[C@]1(CO)CCN(CCCCC(=O)NN)C1	381370616	MLQRWDNVYMDNBU-NSHDSACASA-N	229.324	-0.149	50	10	BBGE	
C[C@H](CN(C)[C@H](C)C(C)(C)O)C(=O)NN	382942056	JICMCHRQZUFJST-HTQZYQBOSA-N	217.313	-0.296	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)CC[C@H]1O	394418859	NPMQUWQRAZLYMC-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1CN(CCC(C)(C)C(=O)NN)CC(=O)N1	396039858	RBNWYRMMVQDBJA-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
CCC(=O)c1cc(C#N)cc(B(O)O)c1	396092435	HMBVCELJNFIQOU-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1C	396157200	YMFNQHKBIXIZEM-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
N#Cc1cc2ccsc2c(CO)c1B(O)O	396223128	ODCWUKKVRFFJKW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1csc2cc(CO)c(B(O)O)cc12	396241445	JAZANVKMVNXMEI-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Nc1c(C=O)ccc2scc(B(O)O)c12	396257386	OWNSHKGTOUQTOC-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21	497263430	KROBPEFKAIGSQP-FSDSQADBSA-N	214.221	-0.201	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)C1CCOCC1	586364155	HXDMLYKVZLLNOX-MRXNPFEDSA-N	248.304	-0.919	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)[C@H](C)CC(=O)NN	688142898	FCSVCGNQRPFGIC-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1	688960507	QTQLJVSUAZZCBS-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@H](C)C(=O)NN	692172595	HRFHSVYOELFXNR-IUCAKERBSA-N	217.313	-0.296	50	10	BBGE	
CS(=O)(=O)N[C@H]1CCN(C(=O)CCl)C1	702952808	JCNSIZWLPFMOHK-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
C[C@H](C(=O)NNC(N)=O)[C@@H]1CCCCO1	711913083	MHJLFEVVGLFOJH-BQBZGAKWSA-N	215.253	-0.109	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)CBr	717358282	YNIDBHJVUIZQHX-RFZPGFLSSA-N	226.070	-0.761	50	10	BBGE	
C[C@@H](O)C1CN(CCCC(=O)NN)C1	719808680	WGPJNFKLJUCYPN-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CC1=C([N+](=O)[O-])C=NC(=O)C1=[S+]C#N	725575973	BOIVALRSOHSQPF-UHFFFAOYSA-N	210.194	-0.116	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)c1cc[nH]n1	855354347	AVBWTGOLNLNWHD-SNVBAGLBSA-N	240.263	-0.421	50	10	BBGE	
Cn1ncc(CCC(=O)NN=c2cc[nH]cc2)n1	857483020	MLAJVOVECZVEDW-UHFFFAOYSA-N	246.274	-0.292	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CCCC(=O)N1	862501116	XLBYTLLLORCTRU-SNVBAGLBSA-N	248.286	-0.076	50	10	BBGE	
C[C@@H]1CC(=O)N2N[C@@H](Br)N[C@H]2N1	952958884	UKSBXWRUSJLTKB-PQLUHFTBSA-N	235.085	-0.733	50	10	BBGE	
Cn1cc(C(=O)NNc2cccnn2)ccc1=O	1295476255	OYHMDBABZCBZEI-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
Cn1ccc(C(=O)NNc2nccn(C)c2=O)n1	1306686667	ADNPILJGCXVETK-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1	1464998898	BSKSQQZPEPTVIH-JTQLQIEISA-N	240.263	-0.739	50	10	BBGE	
O=C1C[C@@H](c2cc([N+](=O)[O-])n[nH]2)C(=O)O1	1535815303	PJEBOKPRGYXFNH-VKHMYHEASA-N	211.133	-0.125	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)c1ccc[nH]1	1540425402	IXCPKNMZVYTGSP-UHFFFAOYSA-N	247.258	-0.019	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)cc2)no1	1623509706	KJEKWAIDTIYFFT-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cc(CO)on1	1627152681	JZEVXDPRMXVCQU-UHFFFAOYSA-N	242.235	-0.481	50	10	BBGE	
O=C(F)NCCN1CCCS1(=O)=O	1882788198	UPFSKDCAUITYDR-UHFFFAOYSA-N	210.230	-0.299	50	10	BBGE	
OC1CNC(=NC[C@H]2C[C@H]2Br)NC1	1883529065	HBLSWPQKSBOVNK-IYSWYEEDSA-N	248.124	-0.321	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](N)[C@H](CO)C1	1885199842	DDYPWGPMHMMWPT-CIUDSAMLSA-N	217.700	-0.241	50	10	BBGE	
O=C(F)N[C@]1(C(=O)O)CCS(=O)(=O)C1	1887188989	YJRXFBWELIJABO-ZCFIWIBFSA-N	225.197	-0.693	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)C=CC(=O)Cl	1893410902	PHISWWYRJZMSNH-WDSKDSINSA-N	221.640	-0.834	50	10	BBGE	
O=C(NCCSCCO)[C@H]1C[C@H](B(O)O)C1	1899598659	OVJZZWCZVAWGGQ-ZKCHVHJHSA-N	247.125	-0.919	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2CC[C@H](C2)C1	1899911955	KLQVSKWVTKODHY-MYJAWHEDSA-N	221.065	-0.303	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cnsc1B(O)O	1900468500	XWDAJOVKWTVUKX-ZCFIWIBFSA-N	242.109	-0.259	50	10	BBGE	
CN(NC(=O)[C@@H]1C[C@H]1N)S(=O)(=O)C1CCC1	1901342378	KRMDFWMQSMJRKC-HTQZYQBOSA-N	247.320	-0.821	50	10	BBGE	
CN(NC(=O)C[C@H]1CCC[C@H]1N)S(C)(=O)=O	1901374802	HDYJCKVXFZAXMV-HTQZYQBOSA-N	249.336	-0.574	50	10	BBGE	
CC(C)=C(Cn1nccc(C)c1=O)B(O)O	1901624074	HAHBMWYIVOPLRT-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@]1(C)CO	1901764537	SVBAKBKTQBKANH-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC=C[C@@H]1CO	1901765117	UTJOFAGRQXBXOR-NXEZZACHSA-N	227.308	-0.232	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](O)[C@H]1C)C(=O)NN	1902716336	QXNPKWMHNBHYKM-YWVKMMECSA-N	229.324	-0.152	50	10	BBGE	
CONC(=O)Nc1cccc(C)c1B(O)O	1905160623	PYEXXMVMRWNNTD-UHFFFAOYSA-N	224.025	-0.642	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CC1(CO)CC1	1915531159	JCHOPAMJOKONEI-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@H]1COC[C@@H]1NC(=O)CCl	1922089404	PBYXWOGOMNEULD-BQBZGAKWSA-N	206.673	-0.330	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)[C@@H](F)C1	1929911411	WGOOALJAYCQERR-CSMHCCOUSA-N	219.260	-0.840	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H](O)C2)CC1	1931260386	LUJPOHGJRDMDRN-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)CCN1CCS[C@@H]2CC[C@@H]21	1931919290	LAKMHCKYHOWQFY-JGVFFNPUSA-N	215.322	-0.054	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C[C@@H]1F	1932373958	ZWQKMBSOTOMGKC-HXFLIBJXSA-N	215.272	-0.098	50	10	BBGE	
C#CCN(CCCl)Cc1nnnn1C	1933489929	NUJKOKCBBADMBP-UHFFFAOYSA-N	213.672	-0.116	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C(=O)NN)[C@H]1C	1934291712	NQCYTFIATMCDEY-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COC[C@@H]2C1	1936080640	JYXOJVCWAGULRK-XFWSIPNHSA-N	225.292	-0.809	50	10	BBGE	
CCN(CCN(C)C)C[C@H]1C[C@@H]1C(=O)NN	1936082981	HDIQNZUXNFPLPC-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2COC[C@@H]2CCl)n1	1937177748	SQVBTIFRPODHCD-WDSKDSINSA-N	245.670	-0.806	50	10	BBGE	
C[S@](=O)N1CCc2cc(B(O)O)ccc2C1	1937505779	DDPCYEBNFGFYTB-INIZCTEOSA-N	239.105	-0.982	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1OCCO[C@@H]1C)C(=O)NN	1940292032	ROXYOMHASFORBK-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@]12COC[C@H]1C2	1941084421	GVIGKNGJQDZSHO-MIZYBKAJSA-N	239.319	-0.419	50	10	BBGE	
CCCN(CCC(=O)O)CC(=O)NNC(C)=O	1941452234	XBLNHNZQEUIXER-UHFFFAOYSA-N	245.279	-0.660	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	1944575584	CDFZKQUJZUQBFN-LNFKQOIKSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@@H](O)CCC[C@H]2C1	1945659026	PZUHSDMZJZOAPW-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@H]1CCC[C@H]2CN(C(=O)C(=O)NN)C[C@@H]21	1945669654	WAOLSIZQHLBJOO-XHNCKOQMSA-N	241.291	-0.750	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccc([N+](=O)[O-])cn1	1952977314	XCBOCLGLSOFDDL-YUMQZZPRSA-N	208.177	-0.126	50	10	BBGE	
COCC[C@@H](COC)N(C)C(=O)NN	1954919519	CXYKISYQNVLMNB-ZETCQYMHSA-N	205.258	-0.447	50	10	BBGE	
CC[C@H]1CCN1c1nc(B(O)O)cs1	1956966707	ZGBKJWJJAMRYLO-LURJTMIESA-N	212.083	-0.188	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)[C@H](C)CC(=O)NN	1958268508	BEMJYDDMSIMASI-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC1(C#N)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1960479460	UDBSFUNTNMAWNG-JGVFFNPUSA-N	208.265	-0.542	50	10	BBGE	
N#C[C@H]1CCN(S(=O)(=O)N2CC(Cl)C2)C1	1961548046	TZDUYURDLKPBPO-SSDOTTSWSA-N	249.723	0.000	50	10	BBGE	
Cc1nc(OCCC2CC2)ncc1B(O)O	1981420435	LATQFCNZDBRIAN-UHFFFAOYSA-N	222.053	-0.356	50	10	BBGE	
COC[C@H](C)Oc1ncc(B(O)O)cc1Cl	1981421060	UNSYTGCFESDSLR-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
OB(O)c1cncnc1SC[C@@H]1CCCO1	1981454340	HSSWMHLIKKYBFR-ZETCQYMHSA-N	240.093	-0.573	50	10	BBGE	
Cc1cnc(N(C)CCCF)c(B(O)O)c1	1981470452	BCYGFYFOMLFSIX-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
OB(O)c1cccnc1OC1CC(CF)C1	1982814263	JFNHWURSNHPISQ-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
CC[C@H](C)OCn1cc(B(O)O)ccc1=O	1984102552	UYROQVKYSUDBQN-QMMMGPOBSA-N	225.053	-0.699	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	1987187938	ONTMFLZBPSSZSM-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CC2(C1)CC2(F)F	1987602734	VZDIPDNVVAROJG-UHFFFAOYSA-N	233.218	-0.378	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)c1ncccc1B(O)O	1987863664	YLPWDXBWRLPDQD-APPZFPTMSA-N	224.044	-0.444	50	10	BBGE	
O=C(NCC(=O)N1CCNCC1)[C@@H]1C[C@H]1Cl	1991680893	VGGXHEYHIBNWHP-HTQZYQBOSA-N	245.710	-0.838	50	10	BBGE	
O=C(NCC(=O)N1CCNCC1)[C@H]1C[C@@H]1Cl	1991680896	VGGXHEYHIBNWHP-YUMQZZPRSA-N	245.710	-0.838	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@]2(C)CC[C@@]1(CO)C2	1992740889	RMVXYRZUOYPKSQ-LSJOCFKGSA-N	227.308	-0.398	50	10	BBGE	
O=C1CN(C[C@@H]2CO[C@@H]3COC[C@@H]32)CC(=O)O1	1996354481	BPRLRLSDAKDNFD-IWSPIJDZSA-N	241.243	-0.967	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1997867237	BODUGZHYUOQWDC-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
Cc1nccn1Cc1nn(C)cc1C(=O)NN	2003506065	NJYYOKJTQNUMCK-UHFFFAOYSA-N	234.263	-0.423	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](CN2CCCC2)C1	2003905808	ZBZKAQHLAVURAQ-GHMZBOCLSA-N	240.351	-0.218	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C)c1ncc(B(O)O)cn1	2004916142	IKWLOYSYBLHHJC-IUCAKERBSA-N	235.096	-0.361	50	10	BBGE	
CC(C)C[C@@H](OCCn1cncn1)C(=O)NN	2012465890	UDGVSFQSEDUPCR-SECBINFHSA-N	241.295	-0.301	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@]2(CC[C@H]2O)C1	2013328019	HMOUGODJVKTNKA-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](C2(O)CC2)C1	2013927134	APRAUSXKMMKLMM-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C=C(CN1CC[C@@H](N2CC(C)(C)C2)C1)B(O)O	2021156900	DYAMNVWBKVJHRO-LLVKDONJSA-N	238.140	-0.029	50	10	BBGE	
C#CCOCCCN1[C@H]2CC[C@H]1C(=O)OC2=O	2024610011	QWUPIIDUOPTXCV-UWVGGRQHSA-N	237.255	-0.057	50	10	BBGE	
CN(C)C[C@H]1CCN1Cc1ccccc1B(O)O	2042722913	FJDGDZLZNPCXNW-GFCCVEGCSA-N	248.135	-0.498	50	10	BBGE	
COC1(C(=O)Nc2ccc(B(O)O)c(C)c2)CC1	2047747529	YPEVCWBEMVNHRV-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
NNC(=O)c1cncc(CN2CCO[C@@H]3C[C@H]32)c1	2051853005	DESJZWYKMQQSPE-GHMZBOCLSA-N	248.286	-0.342	50	10	BBGE	
Cc1ncc(COc2ccc(B(O)O)cc2)n1C	2052195794	HIXHASYXOLAKDD-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
CCn1ncc(C(=O)N2CCC(O)(C#N)CC2)n1	2052340695	XNWKOVZJNFZMSQ-UHFFFAOYSA-N	249.274	-0.211	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CCCC[C@H]32)n1	2052619618	HUCYDDJCMVIZHL-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
CCOc1cc(B(O)O)c(F)cc1[N+](=O)[O-]	2060129734	SCGYKXPIQQFZKQ-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1ccnc(B(O)O)c1	2086425202	QMMZMXUFEUVLEQ-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
Cc1ncnc(N2C[C@H]3CC[C@]3(C)C2)c1B(O)O	2087040800	JJMQRSIXZKKCRU-BXKDBHETSA-N	247.107	-0.299	50	10	BBGE	
C=C[C@@H](CC)O[C@H](COC)C(=O)NN	2210034410	XQBHSBBNXRGYTK-JGVFFNPUSA-N	202.254	-0.028	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1ncccc1B(O)O	2211056999	AQJBEPFSRTWDHN-XCBNKYQSSA-N	225.028	-0.112	50	10	BBGE	
C=CC1(O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2211838182	DKBPPNQXJKSZJV-BDAKNGLRSA-N	225.292	-0.765	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)C[C@H]1O	2212248878	GVOHMAFSPYHUBL-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
CNCC[C@@H](C)Oc1ncccc1B(O)O	2212601953	WLABJCOXNJDIMH-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
C[C@H]1C[C@H]1CCN=c1cc(B(O)O)cc[nH]1	2212610302	GOPBJRVBBUGWOJ-DTWKUNHWSA-N	220.081	-0.359	50	10	BBGE	
CNCC[C@@H](C)Nc1ncccc1B(O)O	2212613292	TWXHOXQGBXAXCR-MRVPVSSYSA-N	223.085	-0.829	50	10	BBGE	
C#CCCN(c1ncccc1B(O)O)C(C)C	2217182375	ABIFRRRGXMKYSM-UHFFFAOYSA-N	232.092	-0.001	50	10	BBGE	
C[C@@H](Oc1ncccc1B(O)O)C(C)(C)CN	2217182888	HPCACQZQVWALKS-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
CCCN(CCO)c1cc(B(O)O)c(C)cn1	2217183733	NNLGVMQGEPOSBX-UHFFFAOYSA-N	238.096	-0.721	50	10	BBGE	
CCC[C@H](N)CCOc1ncccc1B(O)O	2217187474	ZEUWPAUKUCUYPQ-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
CC[C@H](C)NCCOc1ccc(B(O)O)cn1	2217193093	RPPUSUAEAHVLPB-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
C[C@H]1CCC[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2217202659	YKLSCYWZNOXMTJ-DTWKUNHWSA-N	235.096	-0.574	50	10	BBGE	
Cc1nccn1CCNc1cc(B(O)O)ccn1	2223627293	LYRMKBNFPGYCSE-UHFFFAOYSA-N	246.079	-0.622	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@@H]3CNC[C@H]32)nc1	2223644508	KDVNIAZVYJNVEL-FBIMIBRVSA-N	248.091	-0.862	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3COC[C@@H]32)cc1B(O)O	2223653062	NTJHNYBLPVLPIL-ATZCPNFKSA-N	248.091	-0.483	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CCN[C@@H]3CC[C@H]32)c1	2223664500	WGLAFDWNJRCIGK-GMTAPVOTSA-N	248.091	-0.719	50	10	BBGE	
N[C@@H]1CC2(CCC2)[C@@H]1Oc1ccc(B(O)O)cn1	2223664523	WJMOJTDXYWOJSV-MWLCHTKSSA-N	248.091	-0.590	50	10	BBGE	
CN(C[C@@H]1CC=CCC1)c1ncc(B(O)O)cn1	2223673848	MDTXIIBAVBDCIF-SNVBAGLBSA-N	247.107	-0.051	50	10	BBGE	
OB(O)c1cnc(NCc2ncccc2F)nc1	2223676044	VNISOTZLRMOPID-UHFFFAOYSA-N	248.026	-0.697	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]21)C(=O)C#CB(O)O	2243349082	FRIJZACDOQSOGO-LPEHRKFASA-N	221.065	-0.494	50	10	BBGE	
CON(C)C(=O)c1cccc(B(O)O)c1F	2243367376	RVXSVXHYMPLWKH-UHFFFAOYSA-N	227.000	-0.861	50	10	BBGE	
CC(=O)NC(=O)c1sc(C)c(B(O)O)c1C	2243382015	KIHBLDDWNXYACU-UHFFFAOYSA-N	241.077	-0.679	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243383225	VXSKUHRQEJHHIY-XHNCKOQMSA-N	224.069	-0.143	50	10	BBGE	
O=C(N[C@H]1C[C@H](CCO)C1)[C@H]1C[C@@H]1B(O)O	2243383509	ZDADRDBVKQSVGB-JBDRJPRFSA-N	227.069	-0.874	50	10	BBGE	
CC(C)[C@H](CN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392996	ZFSXIOWEKRNPGJ-CIUDSAMLSA-N	228.101	-0.661	50	10	BBGE	
CC(C)CN(CCN)C(=O)[C@H]1C[C@H]1B(O)O	2243396508	NEHUREIXBFUJII-DTWKUNHWSA-N	228.101	-0.707	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C(F)F)C1CCC1	2243398226	CAMVAYSXMKLLER-MRVPVSSYSA-N	231.007	-0.448	50	10	BBGE	
CC(F)(F)C1(NC(=O)C#CB(O)O)CCC1	2243401499	SASRVMUJVAKFCN-UHFFFAOYSA-N	231.007	-0.304	50	10	BBGE	
Cc1cc(C(=O)N2CCCO2)sc1B(O)O	2243409761	OHVIMFRKKOFHRG-UHFFFAOYSA-N	241.077	-0.486	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243426330	GTBHQBADOODSAE-XVYDVKMFSA-N	227.069	-0.779	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1sccc1B(O)O	2244144298	HDQUUUXOGFLXTA-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]2C[C@H]21	2244204980	CYAIZMKZRFGXCC-HZGVNTEJSA-N	221.021	-0.806	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)co1	2244206662	ZPFZBLHMIYASIC-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2COC[C@H]1C2	2244493667	XFWPGQDBMKLMJE-SGIHWFKDSA-N	225.292	-0.667	50	10	BBGE	
O=C(C[C@@H]1CCCO1)NCCC#CB(O)O	2244548800	USQFGAKQLJEJEC-VIFPVBQESA-N	225.053	-0.923	50	10	BBGE	
CC1(C)C[C@@H](SCCOCC(=O)NN)CN1	2245394733	GNYGNHXFSFQEOX-MRVPVSSYSA-N	247.364	-0.133	50	10	BBGE	
C[C@H]1C[C@H]1CN=c1cc(B(O)O)c(Cl)c[nH]1	2245912458	AAAAMRDTFUANBU-BQBZGAKWSA-N	240.499	-0.095	50	10	BBGE	
O=C(N1CCC[C@H](CO)C1)C1(B(O)O)CCC1	2247736228	SRBHZIAYBHMGSE-VIFPVBQESA-N	241.096	-0.386	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1C[C@H]2CC[C@H]1C2	2247741730	DYGSLBVQDVURIU-VPOLOUISSA-N	235.092	-0.057	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)C#CB(O)O)C12CCC2	2247742105	KSOXAWQIFZWSMD-BDAKNGLRSA-N	237.064	-0.924	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1occc1B(O)O	2247754352	FWQVZXMSTWMWST-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(C)c(B(O)O)c1	2247760246	FBWYULAPHMRCQW-UHFFFAOYSA-N	237.039	-0.112	50	10	BBGE	
CC(C)[C@@H](C)N(C)C(=O)c1n[nH]cc1B(O)O	2247782228	SCGMAIQROHJQJP-SSDOTTSWSA-N	239.084	-0.794	50	10	BBGE	
CCN(CCC(=O)OC)C(=O)[C@@H]1C[C@@H]1B(O)O	2247798744	WVMFCUVMIWEQPF-SFYZADRCSA-N	243.068	-0.739	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@]2(CCCO2)C1	2247798961	YOMHOPDQUPABOB-WCABBAIRSA-N	239.080	-0.369	50	10	BBGE	
O=C(Nc1nccc(O)n1)C1CC(B(O)O)C1	2247800578	QHGVMHOQSWNWTO-UHFFFAOYSA-N	237.024	-0.626	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)CO	2247805658	CBLZHUCLLOANNS-SDNRWEOFSA-N	241.096	-0.674	50	10	BBGE	
CC1(C)C[C@H](NC(=O)C2(B(O)O)CCC2)CN1	2247852998	DRMRGRLSJRCCJS-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1nccn1C	2247872505	SYWTXSPKJXIRBB-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247886677	FDYRURUIMKMDRU-RBXMUDONSA-N	245.059	-0.565	50	10	BBGE	
NC1CC(F)(CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894050	BTBDCGOHMYGHEL-WXFYJTIXSA-N	244.075	-0.815	50	10	BBGE	
CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247897429	SFSCQFUNZBJMDV-UWVGGRQHSA-N	234.064	-0.097	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CC[C@H]2O)C1	2247897772	WTCSPNNYNRCETC-IWSPIJDZSA-N	239.080	-0.777	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247899797	QDHUVXIOEKVXEF-AATLWQCWSA-N	241.096	-0.077	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2248577585	KGGGAKQBQWERKN-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C(=O)O	2248578507	RPOXKIKTYSVKAU-XZBKPIIZSA-N	241.052	-0.925	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2250978876	YEWUXASDFURURV-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccn(NC(=O)c2ccncc2B(O)O)c1	2255456915	VIQRZEAOMVMTDK-UHFFFAOYSA-N	245.047	-0.745	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H]2C[C@@H]21)c1ccoc1B(O)O	2255460970	AODMDDFJLHSEFM-NRPADANISA-N	249.075	-0.265	50	10	BBGE	
Cc1noc(NC(=O)c2cc(B(O)O)c[nH]2)c1C	2255462968	CDEACHMHYWQXBR-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
O=C(c1ccoc1B(O)O)N(CC1CC1)C1CC1	2255469983	XCSQVHHCIVFXRQ-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
Cc1ccc(C(=O)N(C)CCC#N)cc1B(O)O	2255510885	BBYXEGTURKVJCX-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N(C)C1COC1	2255513393	PZJQGDLTLRXPAH-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
O=C(NCc1cccc(CO)c1)[C@@H]1C[C@@H]1B(O)O	2255567907	GXVGDBBAADTHAT-MNOVXSKESA-N	249.075	-0.342	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H](C)CC#N	2255683083	QIXRYTQRIJPRET-VIFPVBQESA-N	246.075	-0.293	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cccc(B(O)O)c1C	2255689028	DOYUGKRLZZSOOR-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
CC[C@]1(C)C[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255781335	LZASGPNTTGHWFF-LDYMZIIASA-N	249.079	-0.925	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1cocc1B(O)O	2258129301	VILAQCZZRRTYJP-UFBFGSQYSA-N	249.075	-0.026	50	10	BBGE	
Nc1ncccc1C(=O)N[C@@H]1CCC=C1B(O)O	2258872889	ZIZBTACHMBPYAA-SECBINFHSA-N	247.063	-0.506	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@@H]2CC1=O	2298165384	YIUQBBJSSJJZCF-QCLAVDOMSA-N	237.303	-0.129	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C	2298368517	JQYRJMCKWFJHJC-JXUBOQSCSA-N	241.096	-0.267	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2298370522	BHQHTOYRMNAEJQ-HLTSFMKQSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298375121	YZTWGINLMURMKF-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CCC[C@@H](CN)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298376268	PEKXMADJBRAOQP-UTINFBMNSA-N	240.112	-0.422	50	10	BBGE	
O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1C[C@H]1B(O)O	2298376554	CARWGDFBGHYLKT-SGIHWFKDSA-N	239.080	-0.467	50	10	BBGE	
CNC(=O)C[C@H]1CCCN(CCC(=O)NN)C1	2299679693	JNDVSJOCDRSNHP-SECBINFHSA-N	242.323	-0.786	50	10	BBGE	
CC(C)CNC(=O)CCN1CC[C@H](B(O)O)C1	2303094946	OLPIVMMDCXDHGK-JTQLQIEISA-N	242.128	-0.303	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2312517067	PYVGVPQPAWVSNK-VDNGDJRNSA-N	249.314	-0.131	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1cc(B(O)O)ccn1	2312614607	ZSWVGJWOLRKQTC-HLFFCZDVSA-N	248.091	-0.734	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1	49815378	MFYSGKODVUNIHX-ZETCQYMHSA-N	213.281	-0.068	50	10	BBGE	
NNC(=O)c1cnc(CN2CCOCC2)s1	82419305	XRPXKRSYUJRFBG-UHFFFAOYSA-N	242.304	-0.421	50	10	BBGE	
CCNC(=O)CN(CC)[C@H](C)CC(=O)NN	82471192	MECLQYXRQDPZDS-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CCNCC2)cc1	97812390	NNFDEMPVYHGJPK-UHFFFAOYSA-N	248.330	-0.376	50	10	BBGE	
O=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1	100067807	YQDKULBMDMPFLH-FSRBREEPSA-N	211.173	-0.473	50	10	BBGE	biogenic,in-vitro
CC(C)[C@@H](C(=O)NN(C)C)/C(N)=N/O	149702161	FEWUUQHDPCIRBV-ZCFIWIBFSA-N	202.258	-0.402	50	10	BBGE	
O=C1C[C@H](NC(=O)C(Cl)Cl)C(=O)N1	169912249	OTZTUOZEXIFESA-REOHCLBHSA-N	225.031	-0.679	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)CC(C)(C)C	188142665	BZFMGDTVQQZKBR-UHFFFAOYSA-N	229.280	-0.294	50	10	BBGE	
CC(C)OCCOc1cncc(B(O)O)c1	203524911	VVINTZOZKXQQHC-UHFFFAOYSA-N	225.053	-0.435	50	10	BBGE	
COC(=O)[C@@H]1CC/C(=C(/C#N)C(N)=O)N1	217647818	HJAUVRLQETVNDT-XPPMVYLVSA-N	209.205	-0.826	50	10	BBGE	
C[C@@H](CN(CCO)C1CCC1)C(=O)NN	228568901	PYXGKDXVWYOXAN-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@](C)(O)C1	232699686	CBCNRHIRJQHAMC-PSASIEDQSA-N	215.297	-0.542	50	10	BBGE	
OB(O)c1ccc(-c2ccncc2)nc1	238646083	CZPXTJBVLCXRJL-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
Nc1ncc(C(F)(F)F)cc1B(O)O	238678334	GQMAPIRQTRNFAH-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
O[C@H]1[C@H](O)[C@@](O)(CCl)O[C@H]1CCl	306545312	DPQRLGLZWCGBGE-BGPJRJDNSA-N	217.048	-0.727	50	10	BBGE	
CC[C@@H](C)N(CCO)[C@@H](C)CC(=O)NN	308838088	XCSUVDBPFIDHNS-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
O=C(CNCCCO)NNc1ccccn1	309577321	PGOQBQOMCZWKQI-UHFFFAOYSA-N	224.264	-0.503	50	10	BBGE	
Cn1cc(CNCCCCl)c(=O)n(C)c1=O	381608195	RCIRPXQFGKXYTC-UHFFFAOYSA-N	245.710	-0.198	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(C)(OC)C1	382577150	BDZOPRBOPYTUPL-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
N#C/C(C=O)=C/C=C/Nc1c(O)c(=O)c1=O	383983651	ZANRSTSTADOBAZ-HTNNJDHISA-N	218.168	-0.437	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H](N(C)C)[C@H]2C1)C(=O)NN	384733074	KBZKFUWIJCLMJZ-IMSYWVGJSA-N	226.324	-0.896	50	10	BBGE	
CCO[C@@]1(C(=O)NN(C)C)CCOC1	401636613	FLVCFMOIMAGPCB-VIFPVBQESA-N	202.254	-0.225	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1ccoc1	404947137	OWKGYGZQJFMIGG-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
COc1ccc(B(O)O)cc1NC(=O)N(C)C	405075302	DDBNKMJCVMSIJQ-UHFFFAOYSA-N	238.052	-0.532	50	10	BBGE	
C=CCNC(=O)NCc1ccccc1B(O)O	405163967	JHHCJHOBQGGBSW-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@]12COC[C@@H]1C2	689288712	RPPSSQSIHLXCNI-YWVKMMECSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc2c1OCCC2	689590584	YYAUKGFWOMXPIL-UHFFFAOYSA-N	235.243	-0.060	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C#N)C1	693986245	NFFKQHRGVKQJHR-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@](C)(C(F)F)C1	698933656	WPFJWECLBOSMKI-MUWHJKNJSA-N	237.250	-0.279	50	10	BBGE	
CC(C)(C)C(=O)NCC(=O)NNC(N)=S	700872491	FFWZRDXQCSDKHA-UHFFFAOYSA-N	232.309	-0.987	50	10	BBGE	
CC(=O)Nc1ccc(C(=O)NCB(O)O)cc1	702024321	WOMKYJHFIUNCPC-UHFFFAOYSA-N	236.036	-0.613	50	10	BBGE	
CNNC(=O)[C@H]1CC(=O)N(CC2CC2)C1	704629735	ADNYXAAYBWEKSC-QMMMGPOBSA-N	211.265	-0.505	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710473942	ATJLQATZZODGCB-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
C=C(Cl)COc1cncc(B(O)O)c1	710624681	DWVXUVVRXDOWGU-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@@H]1COC[C@@H]1C	710920740	UZPWRLQKPLQHAB-IVZWLZJFSA-N	229.324	-0.032	50	10	BBGE	
C#C[C@H](CO)NS(=O)(=O)CCCCCl	718219145	UYOSUKKFSMZYFP-MRVPVSSYSA-N	239.724	-0.081	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ncccn1	718910043	NKTMGECSLCBARX-UHFFFAOYSA-N	223.280	-0.322	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN(CC(=O)NN)C1	719666187	HRAROZDBFKDXEX-MRVPVSSYSA-N	215.297	-0.541	50	10	BBGE	
C[C@H]1C[C@H](N(C)CCC(=O)NN)CCO1	721487064	ZEFZCHOSKCATNZ-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1CCN1Cc1nsc(C(=O)NN)n1	724322209	GDLJXNLMUMHGBJ-YFKPBYRVSA-N	227.293	-0.264	50	10	BBGE	
N#Cc1ccc(NNC(=O)CC(N)=O)cc1	748117119	NPKIHHUAYBBZRJ-UHFFFAOYSA-N	218.216	-0.123	50	10	BBGE	
Cn1nncc1NNC(=O)C1CC(C)(O)C1	857270433	BWIHLTNVDZKZRT-UHFFFAOYSA-N	225.252	-0.581	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H](O)C1CCOCC1	910161914	AHBMSDXEXQTWKF-PSASIEDQSA-N	246.307	-0.882	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1ncncc1F	1159795737	JNBPKCTYIFDBIL-LURJTMIESA-N	212.184	-0.394	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1C[C@@H](CO)[C@@H](O)C1	1161336958	RCZJCFOAYORVRP-OWSSEVEYSA-N	240.259	-0.758	50	10	BBGE	
Cn1ncc(C(=O)NNc2ncccn2)n1	1290676013	XMJSCLCDNQOHLI-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@@](C)(O)COC	1444745900	ZIWGMKTWTAURBF-DHHDDZJSSA-N	242.275	-0.056	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1NC(=O)O[C@H]1C	1556548403	RMKIHDJNZJWJFX-CRCLSJGQSA-N	231.208	-0.787	50	10	BBGE	
CCNC(=O)NNC(=O)c1cn(C)ccc1=O	1626816683	KPFRMPNBOYDVJA-UHFFFAOYSA-N	238.247	-0.651	50	10	BBGE	
O=C(NNC(=O)c1ncon1)c1ccnc(O)c1	1653025261	VJWRVXXCUAWIGQ-UHFFFAOYSA-N	249.186	-0.755	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC1OCCO1	1880456465	PERBPSMOVXEZKI-OWOJBTEDSA-N	219.624	-0.203	50	10	BBGE	
NC[C@@H]1CCN1C(=O)/C=C/C(=O)Cl	1883648031	USMKFKHSWGVVBH-IPWVHJGXSA-N	202.641	-0.132	50	10	BBGE	
C[C@H]1CN(C(=O)NN)C[C@H](CCO)O1	1885271822	PHSTWCDREJOGCI-BQBZGAKWSA-N	203.242	-0.959	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cnsc1B(O)O	1900450682	JRZLHPZVTYGICJ-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CC(C)[C@@H](CO)N(C)[C@H](C(=O)NN)C(C)C	1902088427	UDLRBEALFPFERK-ZJUUUORDSA-N	231.340	-0.050	50	10	BBGE	
CCc1nc(CN2CC[C@H](B(O)O)C2)no1	1902506258	QSPYYBSBSXPVIW-ZETCQYMHSA-N	225.057	-0.319	50	10	BBGE	
C[C@H](C#N)S(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902510991	FQPMNQHNQDENHA-SFYZADRCSA-N	246.097	-0.833	50	10	BBGE	
OB(O)c1cc(-n2cc(F)cn2)ncc1F	1903006197	QALOHPGMRRXXCJ-UHFFFAOYSA-N	224.963	-0.775	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)CCCCC(=O)NN	1907704418	PIXNSWBATUAWTA-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CCN(CCC#N)C[C@H]1C[C@H]1C(=O)NN	1927913203	GOYLUNHHPXRIOB-RKDXNWHRSA-N	210.281	-0.152	50	10	BBGE	
CC(C)(F)[C@@H]1CCN(C(=O)C(=O)NN)C1	1928188740	ZFDROBWAGDZKME-ZCFIWIBFSA-N	217.244	-0.427	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CC[C@@]1(CO)C2	1928308139	MZCQJHCFZVCZLE-WPRPVWTQSA-N	213.281	-0.787	50	10	BBGE	
O=C(NNCCO)[C@]12CCC[C@H]1OCC2	1929832889	ABEULLVWLPGUNF-SCZZXKLOSA-N	214.265	-0.441	50	10	BBGE	
O=C(NC1(CCl)CC1)C1CS(=O)(=O)C1	1933139945	FHRAWQMECNPGJY-UHFFFAOYSA-N	237.708	-0.081	50	10	BBGE	
C[C@@H](CN1CC[C@@H](C)[C@H](O)C1)C(=O)NN	1933231041	KPIUPVGQWDNNHI-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CC[C@H](C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936095077	TVCJWROIOIHAPG-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CCOC[C@H](Cl)CNC(=O)Cn1cnnn1	1937160305	SXXZDPAQBVBEBA-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
Cn1cc[nH]c(=N[C@@H]2COC[C@@H]2CCl)c1=O	1937181957	MLYBYEHJIWMNAH-JGVFFNPUSA-N	243.694	-0.132	50	10	BBGE	
NNC(=O)C(=O)NCC1(CC(F)F)CCC1	1937545286	QAQKNJKUGBMDFL-UHFFFAOYSA-N	235.234	-0.082	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@H](O)CC[C@H]21	1940525690	TXZLYLYDZQTINO-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(C2CC2)C1=O	1941087723	CTIRFNZYBYVJEG-IONNQARKSA-N	238.291	-0.488	50	10	BBGE	
COC(OC)[C@@H](C)N(C)CC(=O)NNC(C)=O	1941989492	PHFXGZCAHYHBNK-SSDOTTSWSA-N	247.295	-0.907	50	10	BBGE	
CC(C)(CN1CC[C@H](O)C2(CC2)C1)C(=O)NN	1944604242	OYHNRQJBACRUAV-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)CCOCC(=O)NN	1947073351	WVDVPEZROCODKJ-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CN1CCN(CCBr)C[C@H]1CO	1953618639	UFFODOZBNKQPET-QMMMGPOBSA-N	237.141	-0.010	50	10	BBGE	
CON1CC[C@H](NS(=O)(=O)CCl)C1	1954100406	JZUZYKSVDKSQEW-LURJTMIESA-N	228.701	-0.262	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957351259	ARIDPCOQUBEXTH-RNFRBKRXSA-N	236.362	-0.082	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)C[C@@H](C)C1)C(=O)NN	1976442817	YSKJDGWQTHWFFS-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
CCCN1CC[C@@H](N(C)[C@H](C)C(=O)NN)C1	1976569600	FZJRQVBPWVGBST-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@@H](C1)N(C)C2	1976821256	VFUMDTVWZQMJRP-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(C(F)(F)F)C1	1980810222	VSNPZKSTOMIKFD-YFKPBYRVSA-N	241.213	-0.636	50	10	BBGE	
NNC(=O)CCN1CCS[C@@H]2COCC[C@@H]21	1980828145	LEANSZAEDGNVFB-DTWKUNHWSA-N	245.348	-0.427	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCCC(F)(F)[C@H]21	1980941793	YPYAUUYIINQOBS-KVQBGUIXSA-N	233.218	-0.474	50	10	BBGE	
Cc1ccn(-c2ncc(Cl)cc2B(O)O)n1	1981455106	VITNWBTVQDRVTP-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1(F)CCC1	1984100983	FOJWVQCBNTWZBQ-UHFFFAOYSA-N	225.028	-0.580	50	10	BBGE	
CC1(N2CCN(CCC(=O)NN)CC2)CC1	1984367087	OGGFIABMIFBJHJ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@@H](n2cccn2)C1	1986221348	NFRXSBWLAZTTLG-DTORHVGOSA-N	224.264	-0.017	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NCC=CB(O)O	1991339025	ULGNCZQMAGYNND-RKDXNWHRSA-N	227.069	-0.657	50	10	BBGE	
O=C(O)CN(O)CC(=O)NNc1ccccn1	1995733934	WVEMMVYNDPHIIU-UHFFFAOYSA-N	240.219	-0.700	50	10	BBGE	
CC(C)(F)CC(=O)Nc1ccc(B(O)O)cn1	1996647255	KABWMIGJBCUADV-UHFFFAOYSA-N	240.043	-0.162	50	10	BBGE	
CN1CCC2(CC1)CCN2CCCC(=O)NN	2003959182	PMHXFDVPBMBRSO-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@@H](C)C2CC2)n1	2004928976	HRPQPASIAMZAFA-SSDOTTSWSA-N	236.080	-0.110	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@]1(C)CCOC1	2004933843	AAAQIDPHJUUCNH-NSHDSACASA-N	237.064	-0.372	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](CCF)C1	2004936149	VOJJGPBYSJDCDT-VIFPVBQESA-N	238.071	-0.053	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H](F)C2)n1	2005014762	QDYCFRURIULTGL-MRVPVSSYSA-N	239.059	-0.679	50	10	BBGE	
CO[C@@H]1CCN(c2ncc(B(O)O)cc2F)C1	2005015024	VBXSMXXXXBFZDJ-MRVPVSSYSA-N	240.043	-0.874	50	10	BBGE	
Cc1nc(N2CC3CC(C3)C2)ccc1B(O)O	2005018060	OAAJKHIMMPIBDE-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901645	YXBCBFUKJFJGNS-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(N(C)C[C@@H]2C[C@H]2F)ncc1B(O)O	2014736306	VWSBEFKIVOUKDT-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1CCN2CC[C@H]1C2)C(=O)NN	2017621334	AEHZQRLLANCHBV-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(CC(=O)NNC(C)=O)C1	2019178140	AXVLTQPDKANZPV-IUCAKERBSA-N	247.270	-0.788	50	10	BBGE	
N#Cc1cnn(Cc2cncc(C(=O)NN)c2)c1	2027473821	CDBXYUKILSMIDI-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)[C@@H]1CC=CCO1	2034282756	XOLLQIUFLBBGMG-NSHDSACASA-N	247.059	-0.350	50	10	BBGE	
Cc1ccnc(N2C[C@H]3COC[C@@H]3C2)c1B(O)O	2052469088	MHSMIELNOGYHBW-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
CN(c1ccnc2cc(B(O)O)cnc12)C1CC1	2052621802	LTTMWFGRGAPEHE-UHFFFAOYSA-N	243.075	-0.092	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H](C)[C@H](C)C2)n1	2052624139	DFUDQTJWRBSPPS-RKDXNWHRSA-N	249.123	-0.053	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2c1ncccc1B(O)O	2058061471	XFZOAWZAZYYXFF-INTQDDNPSA-N	248.091	-0.625	50	10	BBGE	
O=Cc1cc([N+](=O)[O-])cc(B(O)O)c1F	2060056083	LEXSBRPKNFJMBM-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1cc(C=O)c([N+](=O)[O-])c(B(O)O)c1	2060146436	QOVXGNQYVZONLB-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
COc1ccc(B(O)O)c(C#N)c1[N+](=O)[O-]	2060289716	DUXKJPMRHHTAMT-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1cc(B(O)O)c(C)cc1[N+](=O)[O-]	2060380613	LBTYWQFQNBENCV-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1Cc2ccccc2O1	2077491736	DDTNLYYBVXEATH-LLVKDONJSA-N	245.043	-0.878	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@H](O)C[C@H]3C2)CC1	2213027207	FXAYBANWTLSYBD-LPEHRKFASA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2CC[C@H]2C1=O	2215775144	GDCYJODMRJMQHE-UTINFBMNSA-N	237.303	-0.129	50	10	BBGE	
CC1(C(=O)N[C@H](CB(O)O)C(=O)O)CC=CC1	2215807885	SHISTXZOFIPYCH-SSDOTTSWSA-N	241.052	-0.615	50	10	BBGE	
NCCC1(COc2ncccc2B(O)O)CC1	2217172378	JUKJCEZFKHHNDM-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
CCN(C)CCOc1cc(B(O)O)c(C)cn1	2217180631	VJOWXXUTHUBQJN-UHFFFAOYSA-N	238.096	-0.600	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@H](C)CO)cc1B(O)O	2217184010	PQYZBVYTJBXPIL-BDAKNGLRSA-N	238.096	-0.501	50	10	BBGE	
C[C@](CN)(Oc1ccc(B(O)O)cn1)C1CC1	2217189880	JVUJDXSGUQFKPB-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
CC1(C)[C@@H](Oc2cc(B(O)O)ccn2)C[C@H]1N	2217190778	GJSJTNOZYQVAPO-BDAKNGLRSA-N	236.080	-0.734	50	10	BBGE	
OB(O)c1ccc(NC2C[C@H]3CNC[C@@H]3C2)nc1	2223669878	PTAZPQFJLJMEJJ-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
C#CC(CO)(CO)NC(=O)[C@H](Cl)CC	2242273337	QKEGNICWNQNXLO-SSDOTTSWSA-N	219.668	-0.523	50	10	BBGE	
CO[C@H](CCl)CNS(=O)(=O)C1COC1	2242440202	QAMOBSZLWIGWEL-ZCFIWIBFSA-N	243.712	-0.442	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)CCO1	2243347520	NASAWJGBHIJQDM-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCCN1	2243359747	XAWDGFBMKVAIDF-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243362998	ZQASIDMNZHEVBM-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
NC[C@H]1CCCN1C(=O)C1(B(O)O)CCC1	2243365147	IMFCNXDWIDQICC-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
O=C(N[C@H]1CCCNCC1)C1(B(O)O)CC1	2243365549	ODHCICCDKFKNNT-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
O=C(NCC1CCC1)c1csnc1B(O)O	2243378222	PAWPXOZNTLGPQZ-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCO[C@@H]2C[C@H]21	2243382255	MLAPUVRIWDTWLI-FNCVBFRFSA-N	225.053	-0.761	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NCC(C)C	2243385769	OBKIDCAPSTWNOZ-UHFFFAOYSA-N	242.109	-0.483	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1CC=CCC1)B(O)O	2243420482	UDISOABKTFCTSH-VIFPVBQESA-N	245.109	-0.417	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2243426457	IJNQQVYBRSSAKG-JBDRJPRFSA-N	227.069	-0.874	50	10	BBGE	
C=C[C@@H](C)CCN=c1ccc(B(O)O)c[nH]1	2245058892	WPWXAOQMIQCZAC-SECBINFHSA-N	220.081	-0.193	50	10	BBGE	
COC[C@H](SC[C@H]1NCC[C@H]1C)C(=O)NN	2245080454	DHKJJULRNUKINR-HLTSFMKQSA-N	247.364	-0.278	50	10	BBGE	
CP(C)(=O)[C@H]1CN(CCC(=O)NN)CCO1	2245232097	PZQINUZQDLAZCZ-VIFPVBQESA-N	249.251	-0.353	50	10	BBGE	
CN1CCC[C@H]1CNC(=O)C1(B(O)O)CCC1	2247735371	MEDMLAKZIVWDRJ-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](C(F)F)C1CCCC1	2247739719	ACTCWMWKKHDRKU-VIFPVBQESA-N	245.034	-0.058	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccc(B(O)O)o1)C2	2247748161	YWCSCAZZXCIXAN-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
C#C[C@H]1COCCN1C(=O)C1(B(O)O)CCC1	2247751418	XNHOFEXUTDBNTN-VIFPVBQESA-N	237.064	-0.756	50	10	BBGE	
CC[C@@H]1NCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787176	LUOSHILDSISTOR-QCLAVDOMSA-N	240.112	-0.504	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)c1ncon1	2247790494	HSMKCDGGNHETTJ-VQVTYTSYSA-N	239.040	-0.848	50	10	BBGE	
O=C(NC[C@H]1CCCCO1)[C@H]1C[C@H](B(O)O)C1	2247797979	PDHRFAACXIWSIQ-OPRDCNLKSA-N	241.096	-0.075	50	10	BBGE	
COCCC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247803838	CZMPEQTUJFCIOL-IUCAKERBSA-N	241.096	-0.218	50	10	BBGE	
O=C(NC[C@@H]1COC2CC1C2)[C@H]1C[C@@H]1B(O)O	2247804157	FLVMFYYMUHRCHP-RKWLFCDHSA-N	239.080	-0.610	50	10	BBGE	
Cn1cc(NC(=O)[C@H]2C[C@@H]2B(O)O)ccc1=O	2247806445	NEDSJKAFKSQITA-YUMQZZPRSA-N	236.036	-0.813	50	10	BBGE	
C[C@H](CN1CCCC1)NC(=O)[C@H]1C[C@H]1B(O)O	2247809015	XCZZQDCXPZJGPS-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]2OCCC[C@H]2C1	2247847769	BJFWECLCZUACFT-UWVGGRQHSA-N	237.064	-0.971	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@@H]1CCO	2247848294	JXPOSMHZPWVGCO-NXEZZACHSA-N	239.080	-0.941	50	10	BBGE	
CCN(CC(F)F)C(=O)c1cc(B(O)O)c[nH]1	2247851641	HRYFOVMTNQGXME-UHFFFAOYSA-N	246.022	-0.578	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2F)ccc1B(O)O	2247852881	BIXNGMFQDFAVDP-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1C(=O)c1coc(B(O)O)c1	2247856707	MJVIZUXWXYACGL-SVRRBLITSA-N	241.027	-0.468	50	10	BBGE	
CO[C@H](C)[C@@H](C)NC(=O)c1ccoc1B(O)O	2247868285	FBAJUACBDQZURY-RNFRBKRXSA-N	241.052	-0.887	50	10	BBGE	
C=C1CC(NC(=O)c2ccncc2B(O)O)C1	2247870397	JBKVIIZDLPWERS-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
CC(C)[C@H]1NCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247871635	FJSLPGWEHODCMR-DTWKUNHWSA-N	240.112	-0.504	50	10	BBGE	
CCN(CC(C)C)C(=O)c1n[nH]cc1B(O)O	2247885842	RZONCPBHIOKATC-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@@H]1B(O)O	2247898916	IQPZZXRFDYHZON-LOLPMWEVSA-N	238.096	-0.813	50	10	BBGE	
CC=CC(=O)NCCc1ccccc1B(O)O	2248420558	WKTOZFREOILKEW-UHFFFAOYSA-N	233.076	-0.399	50	10	BBGE	
Cc1cc(C)c(Cn2cc(B(O)O)cn2)cn1	2248429825	QYQYSXPIYYJQPL-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
O=C(Nc1ncccc1O)[C@H]1C[C@H](B(O)O)C1	2248585013	FHWMCKAUPHQTAO-LJGSYFOKSA-N	236.036	-0.021	50	10	BBGE	
O=C(O)C1CC(NC(=O)C2CC(B(O)O)C2)C1	2248590439	DGLGGSIOJQUKEM-UHFFFAOYSA-N	241.052	-0.781	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]1C(F)F	2249420621	WTNBWARVMQBWMW-ZETCQYMHSA-N	244.990	-0.561	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249432844	DILXZEYEOPYIKL-QMMMGPOBSA-N	235.048	-0.393	50	10	BBGE	
C[C@@]1(CO)C=CCCN1c1ncccc1B(O)O	2253435020	YKQKCWRVEUNAKC-LBPRGKRZSA-N	248.091	-0.721	50	10	BBGE	
Cc1cnc(O[C@@]23CCNC[C@@H]2C3)cc1B(O)O	2254112222	CVNOSHAHDUNCFO-JOYOIKCWSA-N	248.091	-0.799	50	10	BBGE	
O=C(Nc1ncccc1F)c1ccoc1B(O)O	2255464869	BVKMUYRLAITFRO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1cc(C(=O)NC2[C@H]3CC[C@H]23)ccc1B(O)O	2255511929	RDZYUQWIUAKSGL-UWVGGRQHSA-N	245.087	-0.187	50	10	BBGE	
CN(C[C@H]1C=CCC1)C(=O)c1n[nH]cc1B(O)O	2255554134	IOFZFFUEVGRMJD-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@@H]1C1CCC1	2255554658	PFZKMJHOPZERES-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CCC2(CCC2)C1	2255562211	RNPZPHVDSUPLRH-UHFFFAOYSA-N	249.079	-0.894	50	10	BBGE	
C[C@H](Cc1ccncc1)NC(=O)[C@H]1C[C@@H]1B(O)O	2255564822	RJOKKPVQJSWZLT-MIMYLULJSA-N	248.091	-0.008	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1N2)[C@H]1C[C@@H]1B(O)O	2298377456	RTHWQQORZAKWPR-SVSWQMSJSA-N	238.096	-0.894	50	10	BBGE	
CC[C@@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463116	QBZQNGPALSKLDY-XSSZXYGBSA-N	243.068	-0.534	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC[C@H](CO)C1	2300397576	SSKGHXROECIDBR-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](B(O)O)C1	2303124287	PUKKGEDYVBKXFL-IVZWLZJFSA-N	242.128	-0.162	50	10	BBGE	
C[C@@H](COc1cc(B(O)O)c(F)cn1)N(C)C	2303853620	WIQHQEJNWUWZMM-ZETCQYMHSA-N	242.059	-0.771	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CNCC[C@H]32)c1	2312614562	WODMETINXPMQIM-VWYCJHECSA-N	247.107	-0.971	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc(B(O)O)c[nH]1	2312848132	OAJSNRFLOJOJOY-KHQFGBGNSA-N	246.075	-0.611	50	10	BBGE	
NNC(=O)CC(=O)Nc1nccs1	6244392	RYTXVTGXANVUCB-UHFFFAOYSA-N	200.223	-0.538	50	10	BBGE	
COC(=O)/C(C#N)=C(/N)CC(=O)N(C)C	75620339	MYLKMZXSGRZTJC-VOTSOKGWSA-N	211.221	-0.626	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCCOCC1	82469350	ZWXYINMTYYDQOM-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
COCCCn1cccc(C(=O)NN)c1=O	82664645	FQWMHDHMFVKLHF-UHFFFAOYSA-N	225.248	-0.512	50	10	BBGE	
CN1C(=O)C[C@@H](NC(=O)CBr)C1=O	84083744	TUWBCUFSANITJF-SCSAIBSYSA-N	249.064	-0.745	50	10	BBGE	
NNC(=O)c1ccc(Cn2cncn2)nc1	87224069	MJKRZXZLSHLISV-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1nccn1C	104107382	XTRHCVSQGRLLGX-SNVBAGLBSA-N	239.323	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)Sc1ncnn1C	128063062	FGJPBVQQINDQMN-PHDIDXHHSA-N	229.309	-0.078	50	10	BBGE	
COc1cccc(-c2ncc(B(O)O)cn2)c1	198019663	GLJQHPIZYAYVAC-UHFFFAOYSA-N	230.032	-0.168	50	10	BBGE	
C[C@@H]1CCCN(c2cnc(B(O)O)cn2)C1	198083509	LDFHESCYFKCMOC-MRVPVSSYSA-N	221.069	-0.607	50	10	BBGE	
Cc1ccn(Cc2ccc(B(O)O)cc2)c(=O)c1	203074760	WMMBBUSXLXWKBF-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
COC(=O)CS(=O)(=O)N(C)CCCl	232022561	VRWSFSDGHCFIIP-UHFFFAOYSA-N	229.685	-0.340	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)c1cncnc1	234567473	HALOTPREERQGKP-SSDOTTSWSA-N	243.650	-0.013	50	10	BBGE	
C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	238469803	YTYJVAWYZBLUFS-NTSWFWBYSA-N	233.268	-0.750	50	10	BBGE	
NC(=O)NN[C@@H]1c2ccccc2C[C@@H]1O	238590962	UKDAZKJHJLBDJN-DTWKUNHWSA-N	207.233	-0.182	50	10	BBGE	
CC(=O)NN=C(C(=O)NN)c1ccccc1	256091333	GMMXCUJVWPKZDL-UHFFFAOYSA-N	220.232	-0.483	50	10	BBGE	
NC/C=C/c1ccc2c(c1B(O)O)OCO2	258073831	DWAPVLZPEJQIKN-OWOJBTEDSA-N	221.021	-0.933	50	10	BBGE	
CO[C@H]1CCN([C@H](C(=O)NN)C(C)C)C1	300046375	UKJJRRHVCWKCML-IUCAKERBSA-N	215.297	-0.278	50	10	BBGE	
O=[S@@]1CCCN(S(=O)(=O)CCl)CC1	306479219	HSLZRUGHXUHGOY-GFCCVEGCSA-N	245.753	-0.033	50	10	BBGE	
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCl	306551853	ISJIITYKGLKIAG-RITPCOANSA-N	204.657	-0.005	50	10	BBGE	
C[C@H]1COCCCN1[C@H](C)C(=O)NN	306628695	BXQIHDZFLGBTQK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](CO)[C@@H](O)C1	316946882	AZUPDFUUUNJTBA-CSMHCCOUSA-N	221.684	-0.327	50	10	BBGE	
COC[C@H](C)N[C@H](C)C(=O)NNC(C)=O	389898387	BKLLJQSGXHTLGA-NKWVEPMBSA-N	217.269	-0.833	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@H](CN)C1	395794073	ALQFHLIBZREYIN-RKDXNWHRSA-N	228.340	-0.328	50	10	BBGE	
CC(=O)NNC(=O)CSC1=NC[C@@H](C)N1	395814221	ZSSOPOBURLXIDE-RXMQYKEDSA-N	230.293	-0.765	50	10	BBGE	
C[C@H]1CN(CCC(C)(C)C(=O)NN)CC(=O)N1	396039859	RBNWYRMMVQDBJA-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(C)c1	396132800	KCLXBOLZRPZMDO-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
N#CCc1c(CCC=O)cccc1B(O)O	396136121	HTCYZKCXUJXVKM-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)[C@H](CC)C1	399868497	AVGCHIHYJCIACL-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
COC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cc1	584993008	RFFIOBTVPQQREP-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C[C@@H](C)C(=O)NN	688147513	RPYUVZKYMDIVDE-IWSPIJDZSA-N	215.297	-0.421	50	10	BBGE	
COCC(COC)S(=O)(=O)NCCCl	688583186	YXBAJHRKWZEVIO-UHFFFAOYSA-N	245.728	-0.194	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)C(C)(C)CO	690901283	FMGWIGXSFBPQGO-MRVPVSSYSA-N	217.313	-0.295	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](N(C)CC(=O)NN)CO1	700922361	PGOUHTSIVNEUDH-BDAKNGLRSA-N	215.297	-0.278	50	10	BBGE	
O=S(=O)(/C=C\c1ccccc1)NCB(O)O	706419802	QIYRRYZNGQXXKU-SREVYHEPSA-N	241.077	-0.411	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@](C)(CO)C1	708285783	AHZBHLJHPPTEII-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
CC(C)(CN1C[C@@H]2CC[C@@H](O2)C1=O)C(=O)NN	719391281	CWTAFHRMICQZGG-JGVFFNPUSA-N	241.291	-0.608	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2[C@@H]1CCCN2C	720446552	PBTVSJLRLSCPSJ-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)C(=O)NCc1cccc2ncccc12	720496912	GUMLLZOEKRHOHF-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CCO1	721478803	FMJMFXUMOOSYMB-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2CC[C@H](O)[C@H]1C2	721717369	OZFYMQSPYJEOER-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@@H](CN)C1	722378097	CRMZBMWXTCNIRR-FXQIFTODSA-N	220.700	-0.218	50	10	BBGE	
COCC(C)=NNC(=O)[C@H]1COCCO1	745208399	WXMOHZQRHVKTGJ-MRVPVSSYSA-N	216.237	-0.460	50	10	BBGE	
CN(NC(=O)[C@@H]1[C@@H]2CCCO[C@H]21)C(N)=O	781003485	QKFDIVBYPRKJBD-RRKCRQDMSA-N	213.237	-0.547	50	10	BBGE	
CC(C)CC(=O)NNS(=O)(=O)N1CCC1	795284236	PAUBNFGJNNASMT-UHFFFAOYSA-N	235.309	-0.396	50	10	BBGE	
CC/C=C(/C)C(=O)NNC(=O)c1cn(C)nn1	855184375	BBAFYGDFUAAKHA-ALCCZGGFSA-N	237.263	-0.068	50	10	BBGE	
NC(=O)CC(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	899597759	AKFOAABPJBYHQN-FBMACHJBSA-N	247.092	-0.287	50	10	BBGE	
CN(CCCl)[C@@H]1C[C@H]2NNC(=O)N2CN1	953026843	NZBNZFWHVDVADZ-RQJHMYQMSA-N	233.703	-0.710	50	10	BBGE	
CN(NC(=O)CCc1ccnn1C)C(N)=O	1116642097	LLVYBMVITFTSTE-UHFFFAOYSA-N	225.252	-0.606	50	10	BBGE	
Cc1ncc(CC(=O)NNC(=O)C(C)(C)O)o1	1154457422	WQNKNNBKYNQERX-UHFFFAOYSA-N	241.247	-0.556	50	10	BBGE	
C[C@@H]1CNC(=O)CN1S(=O)(=O)CCCl	1253487335	DRNUPKVYXPFFGY-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
COC(=O)C1(NS(=O)(=O)CCl)CC1	1260935352	CCSLDCMLXDHBCQ-UHFFFAOYSA-N	227.669	-0.192	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C\[C@H]1CCOC1	1292257778	JGQDYPIVSYFKHM-VEMNSZJBSA-N	227.264	-0.119	50	10	BBGE	
C=C(CC)CNC(=O)NNC(=O)c1ncon1	1478813652	ATEFNPBWTDXCBA-UHFFFAOYSA-N	239.235	-0.020	50	10	BBGE	
C#Cc1ccc(C(=O)NNc2nc[nH]n2)cn1	1558992265	TXJIIJRINPXTDQ-UHFFFAOYSA-N	228.215	-0.062	50	10	BBGE	
O=C(CCc1ccon1)NNC(=O)c1cc[nH]n1	1584321592	BMFNDKYSRAJBAE-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CO[C@H]1CCC[C@H](C(=O)NNC(=O)CO)C1	1638526353	KVXIPOJHZLKFRG-YUMQZZPRSA-N	230.264	-0.669	50	10	BBGE	
NCC(CN)NC[C@@H]1C[C@@H]1Br	1877413465	DYQSPFIXKGXSFA-FSPLSTOPSA-N	222.130	-0.355	50	10	BBGE	
CON(CC(=O)NN)C(=O)OC(C)(C)C	1879944861	GTVGRKNNRWGPTD-UHFFFAOYSA-N	219.241	-0.225	50	10	BBGE	
CC1(C)OC[C@H](NC(=O)CCl)[C@@H]1O	1883811347	HVUZLIDROOVQMX-FSPLSTOPSA-N	207.657	-0.120	50	10	BBGE	
COCCOCCC(F)(F)C(=O)NN	1885134986	NJORLXGFGAXPAW-UHFFFAOYSA-N	212.196	-0.335	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(N)=S)CCO1	1886029606	MHJFKTQUJFWJJV-NTSWFWBYSA-N	217.294	-0.334	50	10	BBGE	
OB(O)c1csc(OC(CF)CF)n1	1886034389	ZPHGURZMUPVAFN-UHFFFAOYSA-N	223.009	-0.491	50	10	BBGE	
NCCN(CCO)C(=O)C=CC(=O)Cl	1893410697	MVOIDHYUVAPPBN-UHFFFAOYSA-N	220.656	-0.912	50	10	BBGE	
N#C[C@H](Cl)CN1CC2(COC(=O)N2)C1	1893451337	LKHHUQJVVGPZCN-LURJTMIESA-N	215.640	-0.088	50	10	BBGE	
N=C(O)OCCNC(=O)/C=C/C(=O)Cl	1893497808	LJZFVBONVLUBJK-OWOJBTEDSA-N	220.612	-0.066	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1894287681	LHMRMFSNUQSFQM-HXLXBVJFSA-N	223.276	-0.378	50	10	BBGE	
CN(Cc1nnn(C)n1)C(=O)OCCl	1894761169	OBKOHTQZCZRXFR-UHFFFAOYSA-N	219.632	-0.025	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)[C@@H]1C	1896022355	JNFWRLKPGPJTHL-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)CC(=O)NN)C[C@@H]21	1896550723	BTAMXJQWJKJZRE-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H]2COC[C@H]21	1897316180	QFDQFODBDFQYSS-ZYUZMQFOSA-N	225.292	-0.667	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1COC2(CCC2)CO1	1901046893	ZXSMYJLWAVLQRC-LURJTMIESA-N	245.304	-0.811	50	10	BBGE	
CCC1(C(=O)NN(C)S(=O)(=O)CC)CNC1	1901339883	VIKAMEFWXYOYGR-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CN(C[C@H]1CCO1)C(=O)C1(B(O)O)CCC1	1902005535	ICRJKMSHMJSJOO-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@]23C[C@@H]2[C@H](N)C3)CC1	1905954920	JYDUSICZMUNYKY-KBVBSXBZSA-N	235.287	-0.399	50	10	BBGE	
C[C@@H]1[C@@H](Cn2cc(B(O)O)ccc2=O)C1(F)F	1907908945	FBJGREAGPXAPGQ-HTRCEHHLSA-N	243.018	-0.571	50	10	BBGE	
Cc1ccnc(C(=O)NNC(N)=S)c1	1912349935	JDGQQHCMOOJIRE-UHFFFAOYSA-N	210.262	-0.132	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(O)CCC1	1914572664	AXBBHXPOKWCMHW-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@H]1C[C@@H]1C(=O)NN	1927917064	IEWHFPQDWDXCLJ-HXFLIBJXSA-N	214.265	-0.336	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]2(CCCO2)C1	1928031926	CVQDSAAVKIRENR-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
NNC(=O)C(=O)NCc1ncccc1Cl	1928448729	FYXUXZKAJGRAOC-UHFFFAOYSA-N	228.639	-0.659	50	10	BBGE	
CON(C)Cc1ccc(F)c(B(O)O)c1	1928681783	IMVHKJCDBZAFNI-UHFFFAOYSA-N	213.017	-0.501	50	10	BBGE	
Cn1nnc(CNC[C@H](Cl)CF)n1	1930540405	FPTMMRJCESOIRY-RXMQYKEDSA-N	207.640	-0.123	50	10	BBGE	
CC1(C)CC(=O)N(C[C@H]2C[C@H]2C(=O)NN)C1	1936095469	XKYXZNRDZHBNNP-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
CN(CCOCC(=O)NN)C1CCOCC1	1936531102	BRGYLVQONOTMRC-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
COCCN(CCCl)C(=O)Cn1ccnn1	1937149643	UGVCDCRFZOYEQH-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H](C)CC(N)=O	1938362574	UQSABBFNUWFGJM-JGVFFNPUSA-N	230.312	-0.659	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H]2CC[C@H]1CC(O)C2	1941079765	QRNLXBSAORKTEJ-HJGDQZAQSA-N	239.319	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC(CCO)CC1	1941083171	NLYNQMXUPRULIK-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
CN(Cc1cnccn1)C[C@H]1C[C@@H]1C(=O)NN	1941088876	HGZLOGDTFLXFOO-SCZZXKLOSA-N	235.291	-0.466	50	10	BBGE	
CC(C)[C@@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1945548531	GNKOYQSZPPZYDZ-HOSYDEDBSA-N	241.335	-0.295	50	10	BBGE	
CS(=O)(=O)c1cccc([C@H](N)[C@@H](O)C#N)c1	1952821248	NUGONFRNTDAUNX-UWVGGRQHSA-N	240.284	-0.026	50	10	BBGE	
C[C@@H](C(=O)N1CC(Cl)C1)S(C)(=O)=O	1954058841	ZWLJSSUUPHFSLK-YFKPBYRVSA-N	225.697	-0.131	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1954501921	FZJWZICLJRFXGM-XVCLALHZSA-N	205.641	-0.822	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC(C)(CO)CO	1954505477	GKWXIDBLXLMOKO-ZCFIWIBFSA-N	209.673	-0.137	50	10	BBGE	
C[C@H]1CC[C@@H](CO)N(CC(=O)NN)C1	1955030210	OWSLDFPHNJQYCM-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OC(C)C)C1	1958194576	VGMXQOHIJSZMHH-VIFPVBQESA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(F)CC1C2	1960684099	JYRNSUAOVCKSQT-UHFFFAOYSA-N	223.198	-0.202	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1	1961483604	VFWIGCUXDOYAFY-SFYZADRCSA-N	215.253	-0.551	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(C)(C#N)C1	1961495098	KLNJOWNZZNWHPC-YUMQZZPRSA-N	210.281	-0.154	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)[C@@H]1C	1961691862	QUEAYYBAOKADDJ-NKWVEPMBSA-N	207.042	-0.999	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)C1CSC1	1961692543	UJMBRSLPPGPVPX-UHFFFAOYSA-N	224.094	-0.687	50	10	BBGE	
Cc1cc(O[C@@H]2C[C@@H]2C)ncc1B(O)O	1961696330	PILCKNBIZFCDMW-IONNQARKSA-N	207.038	-0.143	50	10	BBGE	
O=C(C[C@@H]1CCC[C@@H]2C[C@@H]12)NCB(O)O	1974881093	PHJKDXZLUUOSFO-HRDYMLBCSA-N	211.070	-0.059	50	10	BBGE	
CC[C@](C)(CC(=O)NNCCO)C(=O)O	1975275558	GXAQTVFMSKWNMN-SECBINFHSA-N	218.253	-0.510	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@](F)(CO)C1	1975527672	SRJZPLOYUUSJMH-SCZZXKLOSA-N	233.287	-0.449	50	10	BBGE	
NNC(=O)COCCN1C(=O)CC12CCC2	1975981338	CWCCYFDFUIFRKR-UHFFFAOYSA-N	227.264	-0.852	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1ccncc1B(O)O	1981425714	JMMXPGGWGBGIGX-QMMMGPOBSA-N	220.081	-0.004	50	10	BBGE	
C[C@H]1COC[C@@H]1Oc1ncccc1B(O)O	1981431166	WJMVGAQXXIMNKA-CBAPKCEASA-N	223.037	-0.825	50	10	BBGE	
Cc1nc(N2CC[C@@H](F)C2)ncc1B(O)O	1981446190	UZASTJGLZDPTPB-SSDOTTSWSA-N	225.032	-0.987	50	10	BBGE	
CC1(C)[C@H]2CN(c3nc(B(O)O)cs3)C[C@H]21	1981468780	IIWWXLQAONYYIM-KNVOCYPGSA-N	238.121	-0.085	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(F)(CO)C1	1981511656	APVKFYBIFZLYKG-QMMMGPOBSA-N	233.287	-0.593	50	10	BBGE	
Cc1nc(OC(CF)CF)ccc1B(O)O	1985998160	WQYJBJABOKIANQ-UHFFFAOYSA-N	231.007	-0.244	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](C)(CCO)C1	1987908188	UJDFRAPSJCDFEE-MWLCHTKSSA-N	229.324	-0.151	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC([N+](=O)[O-])C1	1989301476	VZACNOINSVRUES-ZETCQYMHSA-N	230.268	-0.648	50	10	BBGE	
COC[C@@]1(O)CCN(C(=O)C=CC(=O)Cl)C1	1991648773	SLABSZLNJPJWBL-SNVBAGLBSA-N	247.678	-0.082	50	10	BBGE	
C[C@H]1C[C@@H]1COc1ncc(F)cc1B(O)O	1993077705	XDCOCNHMMSPLBO-NKWVEPMBSA-N	225.028	-0.065	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]1c1ncon1	1997763855	BRDAFQNQPDHRPL-XLPZGREQSA-N	239.279	-0.169	50	10	BBGE	
CC(C)C[C@@H]1CCOCCN1C(=O)C(=O)NN	2002323482	XUJBTKCZNDSPHP-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
CCN(CCCC(=O)NN)[C@@H]1CCCNC1=O	2004308408	CJYPIOHZYXLTQD-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C(=O)NN	2004364720	LRHLXMQDPNJABF-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1C(F)(F)F	2004918744	PGDHUSJRHCPZLY-LURJTMIESA-N	246.985	-0.703	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@]1(C)COCCO1	2005977835	MQBDDUGCTMOWIP-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
CN(C)CCOCc1cccc(C(=O)NN)n1	2007003845	OPAYOGDRCNMDAI-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
CCNC(=O)NCCc1cccc(B(O)O)c1	2008785050	JIDYLZDBKZRMDG-UHFFFAOYSA-N	236.080	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980382	VAONCZHLVTUAMO-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
CN1CC[C@H]2[C@@H]1CCCN2CCCC(=O)NN	2012128929	ZYEXAMAMIZCSCF-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC(C)(C)[C@@H](OCCn1cncn1)C(=O)NN	2012465953	UWHPXNYDHHSMES-QMMMGPOBSA-N	241.295	-0.301	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CC[C@H]2C1	2014770593	YFRHUKDVTABCEB-ZJUUUORDSA-N	232.092	-0.002	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2[C@H]3COC[C@H]2C3)C1	2021412329	JSTRDTUARUWQKG-LMLFDSFASA-N	239.319	-0.134	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@@H](CC(=O)O)C1	2022624476	VBZLKECHCALWRU-QMMMGPOBSA-N	245.279	-0.404	50	10	BBGE	
Cc1nc(N2CC[C@@]23CCOC3)ccc1B(O)O	2052623562	LAMOUMKUYBKTJZ-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@]1(C)CCOC1	2055448488	NABKGYQKTWWOBR-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
NNC(=O)c1cccc(CN2C[C@@H]3COC[C@@H]32)n1	2066309757	OALBDPSCJHJONQ-KCJUWKMLSA-N	248.286	-0.484	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccn2ncnc2c1	2076082186	QWZBPVOSNHPFRH-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
CC12CC(C1)N(C(=O)c1ccccc1B(O)O)C2	2079008735	LZJXBFGQHOWGIA-UHFFFAOYSA-N	245.087	-0.009	50	10	BBGE	
NC(=O)c1cc(B(O)O)ccc1Br	2080502571	IKLOANBYLOVZGL-UHFFFAOYSA-N	243.853	-0.772	50	10	BBGE	
OB(O)c1ccc(SC[C@H]2CCNC2)nc1	2212602154	ZIJIZWQZMRCJBI-QMMMGPOBSA-N	238.121	-0.537	50	10	BBGE	
C=CCCCN=c1[nH]ccc(B(O)O)c1F	2212605824	KPFFUPIJGQNIJV-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@@H]1[C@H](Nc2cc(B(O)O)ccn2)C1(F)F	2212612861	PQXZNVZIIUWJRX-XRGYYRRGSA-N	228.007	-0.173	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@@H]1OC	2215004079	KAVFRBWMUYREEC-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H](F)C[C@@H](O)C1	2215775499	HHRBCOZPMQIUST-RGOKHQFPSA-N	245.298	-0.593	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2216684052	JQCAORLDKPURHF-BFLSOPEQSA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H](F)[C@H](F)C2)c1F	2217181091	YEKYIQDUJBUFTD-RNFRBKRXSA-N	245.997	-0.603	50	10	BBGE	
Cc1cnc(N[C@@]23COC[C@@H]2C3)cc1B(O)O	2217181333	ONKZQZHFHJKDBV-KWQFWETISA-N	234.064	-0.729	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@@H](N)C2)cc1B(O)O	2217182984	HZMWDFDVJAKULI-BDAKNGLRSA-N	235.096	-0.638	50	10	BBGE	
CC1(C)C[C@H](Oc2ccc(B(O)O)cn2)CN1	2217185635	ZPWYJFNWZCTJMT-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
CCC[C@@H](CN)COc1ccc(B(O)O)cn1	2217193490	NIDDBCATXKPSRS-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
Cc1nc[nH]c1CNc1cc(B(O)O)ccn1	2217198490	BWQGLWAMENVZQF-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C#CC[C@H](C)CN(C)c1cc(B(O)O)ccn1	2217204125	FVPXNKJTUHHGTL-JTQLQIEISA-N	232.092	-0.143	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC[C@H]1C(C)C	2217217605	OZOSROMALSZMCJ-JTQLQIEISA-N	243.307	-0.490	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C(C)(C)CN1	2223647511	YGKQDPITULQISW-VIFPVBQESA-N	249.123	-0.662	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](O)CC12CCC2	2223649176	VASLXNNJLRWFBL-VIFPVBQESA-N	248.091	-0.745	50	10	BBGE	
Cc1noc(CNc2cc(B(O)O)c(C)cn2)n1	2223650938	STFGMYVNIRZMJU-UHFFFAOYSA-N	248.051	-0.627	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@@H]1CCCNC1	2223676853	GRTUVTDSVZSERO-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
O=C(NCC=C(F)F)[C@@H]1C[C@@H]1B(O)O	2241588277	YZNSPHWOBJWOQV-UHNVWZDZSA-N	204.969	-0.254	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1	2242722740	QUHWJEXHCLCGTO-OJOKCITNSA-N	223.276	-0.519	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ncsc1B(O)O	2243358863	LMYSPPHCIPLGRG-LURJTMIESA-N	238.077	-0.871	50	10	BBGE	
C[C@@H]1CN(C(=O)c2occc2B(O)O)[C@@H]1C	2243363033	AFPVJSCQEYZNKP-RNFRBKRXSA-N	223.037	-0.560	50	10	BBGE	
O=C(Nc1ccsc1)c1c[nH]nc1B(O)O	2243373382	POUAPQCLDOZUSQ-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC(C)CNC(=O)c1cncc(B(O)O)c1	2243377493	ZZMYYWZHBFLQEQ-UHFFFAOYSA-N	222.053	-0.853	50	10	BBGE	
Cc1csc(C(=O)N[C@H]2C[C@H]2F)c1B(O)O	2243378613	WNEVPCDAHGSGEF-RITPCOANSA-N	243.068	-0.423	50	10	BBGE	
C=C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2243391439	KOOBTNGOPKOABQ-HLTSFMKQSA-N	225.053	-0.737	50	10	BBGE	
C[C@@H](C#N)CNC(=O)c1ccsc1B(O)O	2243408726	UBPQLAJCNPLDNU-LURJTMIESA-N	238.077	-0.683	50	10	BBGE	
O=C(N[C@@H]1CCCNCC1)[C@@H]1C[C@@H]1B(O)O	2243425692	AYJCYNUHTQUJOO-HLTSFMKQSA-N	226.085	-0.892	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCOC1	2243426809	MDNSYGKVWPTRMH-YIZRAAEISA-N	227.069	-0.513	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@H]1C1CC1)B(O)O	2243432662	CBTNCJLLBHXLCU-IUCAKERBSA-N	245.109	-0.728	50	10	BBGE	
OB(O)c1csnc1CO[C@H]1C=CCOC1	2244086174	DVYISIKCSXREJX-ZETCQYMHSA-N	241.077	-0.706	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)co2)C1	2244210548	GATZECZMJHNWBC-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
COCCCCCCn1ccc(B(O)O)n1	2244665435	UNACINXREVXIOD-UHFFFAOYSA-N	226.085	-0.230	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2247735923	QBJIZLZUPFREKI-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1cc(B(O)O)c[nH]1	2247737407	FZJMSFYHPJEUCB-VIFPVBQESA-N	234.064	-0.467	50	10	BBGE	
O=C(NCCCCCF)c1ccc(B(O)O)o1	2247738277	PMMIKEXBKIIJNY-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
CCCONC(=O)c1cccc(F)c1B(O)O	2247756367	GOVVLNYVSLQVHA-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1CCCO1	2247762006	YWYOUDREFSNSSY-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCCO1	2247796551	AQMCNHCJXAJGTQ-FXPVBKGRSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(F)(F)F)C(=O)C#CB(O)O	2247849303	YJHHIRWLHZZUBJ-RQJHMYQMSA-N	248.997	-0.341	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@@H]21)C1(B(O)O)CCC1	2247853857	SOTVPCOSUIXJTK-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2CCN[C@H]2C1	2247859149	KNXBNZQZSKCHBW-WOOKNIGNSA-N	238.096	-0.940	50	10	BBGE	
Cc1ccc(C(=O)N2CCCC2)c(B(O)O)c1	2247874132	JHHWHSZOXNSMFD-UHFFFAOYSA-N	233.076	-0.089	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)C[C@@H]1O	2247878674	MDSLKUZFRXTLQZ-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
CCN(C(=O)c1cc(B(O)O)n[nH]1)C(C)(C)C	2247886238	ZPJVIOYOJCYAJD-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)[C@H]1C[C@@H]1B(O)O	2247887123	KNWUYUISHVVZPF-CIQUZCHMSA-N	239.080	-0.752	50	10	BBGE	
CN(CC12CC(CO1)C2)C(=O)[C@@H]1C[C@H]1B(O)O	2247887436	ODTVOSWIXWROGM-VCZAYRLQSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@@H]1CCCCNC1)[C@@H]1C[C@H]1B(O)O	2247888431	ZKEFFLSLUNOYIF-OPRDCNLKSA-N	240.112	-0.645	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)c(C)c[nH]1	2247898800	HWELANBHTMVEBW-IUCAKERBSA-N	234.064	-0.078	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1(CCO)CC1	2247900112	UAXUUMCGHLSHKX-KYZUINATSA-N	241.096	-0.387	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2247900236	VEXMPOHZHJDEPO-IKAXEDQNSA-N	235.092	-0.038	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NCCC#CB(O)O)CO1	2250001272	UOIFCQXQFHEBTP-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
O=C(Cc1ccccc1C(=O)O)NCB(O)O	2251309178	TWQTWTZAELAQSW-UHFFFAOYSA-N	237.020	-0.945	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2CC[C@H]1C2	2255445615	WYCNPHOOQVMNPV-IUCAKERBSA-N	246.075	-0.614	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2CC[C@@H]2C1	2255473783	NXIBLPCEOHSVLL-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(F)cc1B(O)O	2255498769	VWZYFUBJCKUYOJ-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@H]3C[C@@H]32)c1B(O)O	2255512794	FZSBIODGTIXQIF-ONGXEEELSA-N	245.087	-0.091	50	10	BBGE	
C#CCCN(C)C(=O)c1ccc(C)c(B(O)O)c1	2255514124	DGADWJFAGXNFSE-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1n[nH]cc1B(O)O	2255548548	BIFCXMUNIDIAPQ-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
CC1=C[C@H](NC(=O)c2cc(B(O)O)n[nH]2)CCC1	2255552401	KNVZUYKRJIORGT-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
Cc1cc(C(=O)N[C@@]23CCC[C@@H]2C3)oc1B(O)O	2255565724	LBOSCGXQNATCAE-PRHODGIISA-N	249.075	-0.060	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2ccc(B(O)O)o2)n1	2255670064	VEJLDSVTIMNBBL-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(NC[C@@H]1CC12CCC2)c1cc(B(O)O)n[nH]1	2255761984	OGPRREINVILOAV-ZETCQYMHSA-N	249.079	-0.991	50	10	BBGE	
COC[C@H]1CC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	2297887518	YSMOFUPKWDYHAC-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165824	ADVXSELOECHWJH-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@@H]1CC2(CCC2)[C@H]1O)[C@H]1C[C@H]1B(O)O	2298368375	AOSVZGKKIQHMKY-KDXUFGMBSA-N	239.080	-0.731	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376241	OCFFCWLUAIMIQC-AXTSPUMRSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H](CC(=O)NN)OCc1nnn2c1CCC2	2301183870	VSPUMYRZEHQMMM-ZETCQYMHSA-N	239.279	-0.491	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)NC(=O)[C@@H]1C[C@H]1B(O)O	2302031009	DBCJNHXFBQSKBJ-HLTSFMKQSA-N	243.112	-0.239	50	10	BBGE	
OB(O)c1cnccc1OCC1[C@@H]2COC[C@@H]12	2302625218	QGIDHMTUPMRGST-HTQZYQBOSA-N	235.048	-0.967	50	10	BBGE	
Cn1nccc1C(=O)N1CC[C@@](C)(B(O)O)C1	2303111170	GUZNUZGPOFLWMF-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1ccc(B(O)O)cn1	2312614487	QWLNMCVZYHOMKB-MPKXCIJOSA-N	248.091	-0.734	50	10	BBGE	
C=CCC(CC=C)NC(=O)c1n[nH]cc1B(O)O	2313523191	XZMAKWHCATWKGS-UHFFFAOYSA-N	249.079	-0.660	50	10	BBGE	
C[C@@H](NC(=O)Nc1ccc(B(O)O)cn1)C1CC1	2317589740	LRCRMANPHYAOQP-SSDOTTSWSA-N	249.079	-0.319	50	10	BBGE	
N[C@@H](CCCCN/C=C/C=O)C(=O)O	33954322	GMWIWURZXAXNSK-HFSLJOEWSA-N	200.238	-0.129	50	10	BBGE	
C[C@H](Br)C(=O)NCCOCCO	41693445	DHSYKMCMWGROME-LURJTMIESA-N	240.097	-0.105	50	10	BBGE	
O=C(OC(=O)[C@H]1CCCN1)[C@@H]1CCCN1	80531607	FHGPXMBHNURJJW-OCAPTIKFSA-N	212.249	-0.440	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CCSCC2)O1	82466602	DEMFBENDMXPXNI-BDAKNGLRSA-N	245.348	-0.427	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)NC[C@H]2C1	85807914	ZWDAKZYDGJBCSV-RQJHMYQMSA-N	231.683	-0.150	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CSC2COC2)O1	86196136	GGDDNSXMQYXBPJ-HTRCEHHLSA-N	232.305	-0.344	50	10	BBGE	
C[C@H](CN(C)CCOCC1CC1)C(=O)NN	87400301	KHFNDQQSJOZEAG-SECBINFHSA-N	229.324	-0.029	50	10	BBGE	
CSCC(=O)NNC(=O)C1(O)CCCC1	89995672	RWAXOJMAQIDFID-UHFFFAOYSA-N	232.305	-0.198	50	10	BBGE	
C=CCN(CC(=O)NNC(C)=O)C(C)=O	96775344	IBJFQTIHDBGIKD-UHFFFAOYSA-N	213.237	-0.812	50	10	BBGE	
CN(CCO)Cc1ccc(CC(=O)NN)cc1	97812289	NOFJVJOCVMBXCP-UHFFFAOYSA-N	237.303	-0.357	50	10	BBGE	
CC(=O)N(CCN)C(=O)C(=O)NCCCCl	170359366	SNDVTLWRNJNOQT-UHFFFAOYSA-N	249.698	-0.935	50	10	BBGE	
COCCOCOC(B(O)O)=C(F)F	197932689	HMZJFCFGXHVJEU-UHFFFAOYSA-N	211.957	-0.256	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)c1ccn[nH]1	223287496	BTKUOAVTENHGLA-SSDOTTSWSA-N	242.260	-0.144	50	10	BBGE	
CNS(=O)(=O)CCNC(=O)[C@H](C)Cl	230991148	KAZMCVPISVNZPU-YFKPBYRVSA-N	228.701	-0.721	50	10	BBGE	
CCc1ccc(CNC(=O)C(=O)NN)cc1	234146809	JTDODUSUUXXIBP-UHFFFAOYSA-N	221.260	-0.145	50	10	BBGE	
CN(N)CC(=O)NNC(=O)OC(C)(C)C	238290143	QYZMAGDHAPZSCI-UHFFFAOYSA-N	218.257	-0.652	50	10	BBGE	
O=C(O)CN=[S@@](=O)(F)NCC(=O)O	238610614	KUQLEVIMOLCZAF-UHFFFAOYSA-N	214.174	-0.987	50	10	BBGE	
N#C[C@H](O)Cn1cnc2c(N)ncnc21	238704911	UVEVVRHSPLJSAC-YFKPBYRVSA-N	204.193	-0.707	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCN2CCC[C@H]2C1	251012776	ACWXLNDZNHXUNT-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CNC(=O)[C@@H]1CCCN(C[C@H](C)C(=O)NN)C1	300026640	FLMGFKONEQZSHV-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H]1OCCN([C@@H](C)C(=O)NN)[C@@H]1C	307400620	AHQJMVVQZMFGJL-CSMHCCOUSA-N	201.270	-0.526	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](C)OC	308478083	FNJMFHQRLCPMQO-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(CN)C1	309044618	MEGQMMGGKQLOBS-WCBMZHEXSA-N	214.313	-0.574	50	10	BBGE	
COC[C@@H](CCl)NC(=O)c1cn(C)nn1	379909638	LWRZPMRKQFMVHU-ZCFIWIBFSA-N	232.671	-0.201	50	10	BBGE	
CN(CC(=O)NN)CC1CC(F)(F)C1	383096667	AKZYFEJWKDTNOY-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
C#CCN1CCN(C(=O)NC(=O)CCl)CC1	383995843	VQOCBIGSQKMUBV-UHFFFAOYSA-N	243.694	-0.288	50	10	BBGE	
Cc1cn(Cc2nc(C(=O)NN)co2)ccc1=O	386782237	LKEPJGJIKQAGLL-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
C[C@]1(O)CCN(Cc2nc(C(=O)NN)co2)C1	386969183	LJHKNJAVYILTGE-JTQLQIEISA-N	240.263	-0.765	50	10	BBGE	
CC(=O)C1=C(O)/C(=C(/C)N)C(=O)OC1=O	394740561	YENPYSHJLUBZLI-HWKANZROSA-N	211.173	-0.296	50	10	BBGE	
NCCC(CCCC(=O)O)=NNC(N)=O	397066998	ZSRJFOCOJTWURO-UHFFFAOYSA-N	216.241	-0.386	50	10	BBGE	
CC(C)CC(=O)Nc1ccnc(B(O)O)c1	404989599	AWTPHJJTKHOGDW-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
Cc1ccc(NC(=O)c2ccon2)cc1B(O)O	404990580	BPLPLPKQGHRCCD-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCC[C@@H]1O	689816567	MOVIJKWBFZQYLR-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H]1SCCN(CCC(=O)NN)C1=O	691051418	XXHPHUGFJDYIPA-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
CO[C@H](C)C(=O)N1CCC(O)(C#N)CC1	692098825	YQQCROLRHVYKIV-MRVPVSSYSA-N	212.249	-0.102	50	10	BBGE	
CC(C)NS(=O)(=O)N1CCC(O)(C#N)CC1	692120553	KDRIHQNIBBUPMO-UHFFFAOYSA-N	247.320	-0.420	50	10	BBGE	
OB(O)c1cnn(Cc2ccc(F)cc2F)c1	694509475	RMXIQWLNPXSKMJ-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
NNC(=O)CN1CCO[C@H](CCF)C1	700559970	GGPBXAHOUQWDON-SSDOTTSWSA-N	205.233	-0.963	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CC=C(C(=O)O)C1	702219740	NMCIMADIJMBGMX-ZETCQYMHSA-N	213.237	-0.064	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](N2CCC2)C1	702299934	HXCMLAHJSIFSFV-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
C[n+]1n[nH]cc1[S@+]([O])(=O)NCCCl	725680515	OHWCIYJVJMVPBV-CYBMUJFWSA-O	225.681	-0.819	50	10	BBGE	
O=C(CO)NNC(=O)Cn1ncc2ccccc21	777781491	VEAKZPIEGVEBGX-UHFFFAOYSA-N	248.242	-0.824	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@@H]1CCCS1	823789786	MUZJXYVWIJXZEE-RNJXMRFFSA-N	244.316	-0.200	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1ccnnc1	1299508267	PIMMNFRDARBQSD-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1ccsn1	1306510258	UTKXUXRUCOEUKM-UHFFFAOYSA-N	228.277	-0.534	50	10	BBGE	
CNC(=O)NNC(=O)c1c[nH]c(C)cc1=O	1542262785	VUZBFUWFTKAXJK-UHFFFAOYSA-N	224.220	-0.743	50	10	BBGE	
CCCNC(=O)NNC(=O)C1CC(=O)C1	1542404616	PODGSFFBLYDNNZ-UHFFFAOYSA-N	213.237	-0.294	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CCNC(=O)CC1	1627980058	CZELVAPUFVDZMU-CMDGGOBGSA-N	237.259	-0.221	50	10	BBGE	
Cc1cc(NNC(=O)Cn2ccnc2)nc(N)n1	1632694994	MLRBMXVOCZLLGN-UHFFFAOYSA-N	247.262	-0.293	50	10	BBGE	
C[C@H](Cl)CNC(=O)[C@H]1C[C@@H](O)CN1	1866039635	AWAFOGWYVMWETK-RRKCRQDMSA-N	206.673	-0.547	50	10	BBGE	
N=c1[nH]nc([C@@H]2C[C@H]2Br)n1N	1877413682	GXCQLNMBBKZLTA-PWNYCUMCSA-N	218.058	-0.345	50	10	BBGE	
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N	1880029413	BLWQVQSQRZKGTC-RQJHMYQMSA-N	247.295	-0.407	50	10	BBGE	
CSCC1(C)CN(CC(=O)NN)C1	1882516632	IKXZIGTURRKCJQ-UHFFFAOYSA-N	203.311	-0.339	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552799	OKUAWHASHHKOCX-AXMZGBSTSA-N	206.673	-0.562	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@@H](C)S(C)(=O)=O	1884831599	RQUXAFUQEOIDHB-RQJHMYQMSA-N	237.708	-0.224	50	10	BBGE	
CC[C@@H](CO[C@@H](C)C(=O)NN)N(C)C	1885003334	QHNLGXLTVWKVRI-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1CCOC1	1886077264	SYRIVRZBDANTAD-GJMOJQLCSA-N	200.238	-0.582	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]2CF)n1	1886117622	GHALOLBXPMEZKK-RXMQYKEDSA-N	216.046	-0.629	50	10	BBGE	
O[C@@H]1COC2(CN(CCCCl)C2)[C@@H]1O	1886159639	PGDNOHYEGFKUSA-HTQZYQBOSA-N	221.684	-0.578	50	10	BBGE	
Cc1nccn1CC(=O)NNC(N)=S	1886708878	QTXYOAGLSLBJTR-UHFFFAOYSA-N	213.266	-0.944	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@@H](O)C2)C1	1895941085	LXFLMOGGKOOKQF-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC[C@@H]1CN)S(C)(=O)=O	1901338793	CNLLPJIFAFGUSU-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901340304	BSWUMAKCFNBDIW-SFYZADRCSA-N	249.336	-0.845	50	10	BBGE	
CCC1(C(=O)NN(C)S(C)(=O)=O)CC(N)C1	1901373760	OUBMMIWHJZAMGU-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
O=c1c(B(O)O)cccn1C1CC(F)(F)C1	1902481561	JMBZTYCMYQUPMZ-UHFFFAOYSA-N	228.991	-0.502	50	10	BBGE	
CO[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902510437	CAPLEUUTIKSSGS-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C(=O)C#CB(O)O)CC1(C)C	1902624925	YBXOWQXYWUGTPV-BDAKNGLRSA-N	223.081	-0.105	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@H]2C[C@H]21	1902996534	IFZBXDBCWVIKMA-XLPZGREQSA-N	227.264	-0.032	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)[C@H]2COC[C@@H]12	1905708344	UIPLENOECRFJOV-DOLQZWNJSA-N	243.307	-0.900	50	10	BBGE	
CCC[C@@H]1NC(=O)N(C[C@@H](C)C(=O)NN)C1=O	1912214801	XKGKSBFUBQEPOX-RQJHMYQMSA-N	242.279	-0.667	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)co1	1914258952	YVMZWCRAIGRSLV-GMSGAONNSA-N	239.275	-0.162	50	10	BBGE	
CCn1c(C)nn(C[C@H](O)CCl)c1=O	1923094692	YUVFXDDMPQYYCM-SSDOTTSWSA-N	219.672	-0.027	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1CS2	1928180754	FNAKATFDABUGID-JGVFFNPUSA-N	231.321	-0.817	50	10	BBGE	
C[C@]12C[C@@H]1C(=O)N(C[C@H](O)CCl)C2=O	1932150171	JKZXJVLTUKJGNV-KCRUCZTKSA-N	217.652	-0.019	50	10	BBGE	
Cc1cc(C)c(C(=O)NNCCO)cn1	1933126893	GCYKZZJJMMPHPS-UHFFFAOYSA-N	209.249	-0.075	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@H](C)OC	1935673094	VNDCILBOCUAHTD-SSDOTTSWSA-N	226.037	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2COC[C@H]2C1	1936090932	JYXOJVCWAGULRK-AXTSPUMRSA-N	225.292	-0.809	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(O)(C2CC2)C1	1936093955	IZQKESHMXXKUJZ-VXNVDRBHSA-N	225.292	-0.931	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094887	RBNXUXCWZOODSQ-BBBLOLIVSA-N	226.324	-0.752	50	10	BBGE	
O=C(Cn1cnnc1)N1CCOC[C@@H](Cl)C1	1937147416	UFZBSUDYZFSVQA-QMMMGPOBSA-N	244.682	-0.256	50	10	BBGE	
CN(CCC(=O)NN)CCc1ncccn1	1937462984	SIEPZMSLPYRVCA-UHFFFAOYSA-N	223.280	-0.669	50	10	BBGE	
OB(O)c1cncc(OCCOC(F)F)c1	1937688683	LQQQJGJGDMAPAN-UHFFFAOYSA-N	232.979	-0.621	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@@H]1O	1938246689	KPZXDQLUMAUEMF-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H]1Cc2ccccc2CN1C(=O)C(=O)NN	1941851163	YPSRMWDYAXSHIQ-QMMMGPOBSA-N	233.271	-0.050	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](C)[C@H]1C(=O)N(C)C	1942613284	NLQRWCYNWHWZHT-VGMNWLOBSA-N	242.323	-0.837	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1cnnn1C	1950439123	NLSQFQMLLZNLRY-SECBINFHSA-N	240.311	-0.595	50	10	BBGE	
COc1ccc(CN(C)[C@@H](C)C(=O)NN)cn1	1950958584	OCFRRQNLAYAZKQ-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H]1[C@H](CO)C2	1951026608	NQEGZNYZSMTXSZ-MFDAYCCISA-N	239.319	-0.542	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O	1955550545	XCWDVOHOUIVHMQ-WXUMCUSRSA-N	219.668	-0.434	50	10	BBGE	
CC[C@H](C(=O)NCB(O)O)C(C)(F)F	1956884867	CURSLUYLCQRBAS-RXMQYKEDSA-N	209.001	-0.204	50	10	BBGE	
C[C@@H]1CCC[C@@H]1S(=O)(=O)NCB(O)O	1957403210	CIISKBJFDWORHP-RQJHMYQMSA-N	221.087	-0.894	50	10	BBGE	
CC[C@@H]1C(=O)NC(=O)CN1C[C@H](O)CCl	1960163097	JMVVFNXRCVSEPX-RNFRBKRXSA-N	234.683	-0.677	50	10	BBGE	
C[C@](O)(CO)CN1CCC(O)(C#N)CC1	1960837406	XHLDPPKRFXKJSH-SECBINFHSA-N	214.265	-0.920	50	10	BBGE	
CC1(C)CO[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1	1972412189	HOSJWKOLZADOEY-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	1974542494	XCFBXBVMCUNVBB-JQCXWYLXSA-N	213.281	-0.790	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2CCC(=O)NN	1975084750	MVCNBBXPFFRVTF-DJLDLDEBSA-N	213.281	-0.524	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CCC[C@@]2(CO)C1	1976390561	QJKAUWJVPWALOT-ONGXEEELSA-N	227.308	-0.539	50	10	BBGE	
C[C@@H](CN(C)C1(CO)CCCC1)C(=O)NN	1980804328	UGRUVSZIIUQNTE-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cc(Cl)cnc1O[C@H]1CCOC1	1981424487	UKBCRMUMHVVOQU-ZETCQYMHSA-N	243.455	-0.418	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]3C2)ccc1B(O)O	1981468376	AUQJQRDNCQIOOX-IUCAKERBSA-N	218.065	-0.474	50	10	BBGE	
COCCN(c1nc(B(O)O)cs1)C1CC1	1981470521	BLXVUJXKUXDDDR-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)[C@H](C)COC	1981470700	DCKSERJJBBYXML-SSDOTTSWSA-N	244.125	-0.316	50	10	BBGE	
N[C@H](B(O)O)c1cccc2c1OCCCO2	1983880632	OHXROHLZSNQLDZ-JTQLQIEISA-N	223.037	-0.140	50	10	BBGE	
C[C@H](CN(C)[C@@H](CCO)C(F)F)C(=O)NN	1984133267	ZZVABBKVXWPGGD-RQJHMYQMSA-N	239.266	-0.440	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](C2(O)CC2)C1	1987340641	MBMTWRVUTJRFSJ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCN(C)CC1	1989761858	RWMBKIVRJAYOML-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@H]1OC2(CN(C)[C@H](C)C(=O)NN)CC1C2	1989832760	INDLPZRNFRHLRL-BFWVQVCMSA-N	227.308	-0.136	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C1[C@H]2CCC[C@H]12	1990775778	AFBDHTZDYALWPT-IUCAKERBSA-N	225.292	-0.116	50	10	BBGE	
C[C@@H](CN)SCC12CC(C(=O)NN)(CO1)C2	1993884299	RWTRDDWREUWKSS-WFRXLMHJSA-N	245.348	-0.394	50	10	BBGE	
CN(CCOC(F)F)C[C@H]1C[C@@H]1C(=O)NN	1993958916	FPRCSTPKVQTIHJ-RQJHMYQMSA-N	237.250	-0.217	50	10	BBGE	
C[C@H]1CCCCN(c2ncncc2B(O)O)C1	2004915748	CPCILQSVCOHVSM-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
CC(=O)NNC(=O)CO[C@@H]1CC[C@@H](C(=O)O)C1	2006345199	JDRJLHUOEWLBRF-HTQZYQBOSA-N	244.247	-0.576	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)NCC1(C)C	2006924651	FAUJXXSWITXSDD-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C(CO)[C@@H]2C1	2008868303	UZXYCNMGQBGEJJ-RNFRBKRXSA-N	249.261	-0.828	50	10	BBGE	
CO[C@H](C)CCN(C)c1ccncc1B(O)O	2009689568	LPQUQPHVIFOLAV-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]12C[C@@H](CO)C2	2011132117	MBUJTVZJIJTWIQ-DNRKLUKYSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](O)C[C@@H]1COCCN1[C@@H](C)CC(=O)NN	2013003996	CFDDUBCKOPHYKZ-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCOC[C@@H]2C1)C(=O)NN	2013061927	FTEGFHVBPXIXJJ-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
Cc1nc(NC(=O)OC(C)C)ncc1B(O)O	2015729420	AHEKTEPOMLZFAD-UHFFFAOYSA-N	239.040	-0.578	50	10	BBGE	
C=C(CN1CCOC[C@@H]1[C@@H]1CCOC1)B(O)O	2021159599	VZIAMIRAPHYURX-GHMZBOCLSA-N	241.096	-0.708	50	10	BBGE	
C=C(CN(C)Cc1ncnn1CCC)B(O)O	2021163367	SAJVGMQHZJDVIS-UHFFFAOYSA-N	238.100	-0.312	50	10	BBGE	
CO[C@]1(C)CCN(CC(=O)NN)C[C@@]1(C)OC	2022150077	QPTSZIQLDMWGJS-GHMZBOCLSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](Oc1ccccc1C#N)C(=O)NNCCO	2031839764	NTVYFCSYIBEFDX-SECBINFHSA-N	249.270	-0.061	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H]2COC[C@@H]21	2052492079	PVVCPAPUZHRJEB-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
C[C@@H](C(=O)NN)N1Cc2ccccc2[C@H](CO)C1	2056056336	GGGWDYFQNKRGQN-ONGXEEELSA-N	249.314	-0.044	50	10	BBGE	
CCc1cc(C=O)cc(B(O)O)c1OC	2060159595	SJVWUAJJDKYKPR-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCc1ccn(Cc2c(C(=O)NN)cnn2C)n1	2063900536	MZPBNRJIHAZXBO-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2C[C@@]2(F)C1	2210010157	NZUZBUQMACSRJC-IONNQARKSA-N	201.245	-0.200	50	10	BBGE	
C=C1CCCN(c2ccc(B(O)O)cn2)C1	2212601149	JJTKHNPZBGSICI-UHFFFAOYSA-N	218.065	-0.082	50	10	BBGE	
CC[C@@H](O)CN(C)Cc1cccc(B(O)O)c1	2214596175	PFXMKHKNLIBXON-GFCCVEGCSA-N	237.108	-0.431	50	10	BBGE	
C#C[C@H]1CCCCN1c1ncc(B(O)O)cn1	2217173944	VJOGZESVEYIWJV-JTQLQIEISA-N	231.064	-0.852	50	10	BBGE	
OB(O)c1ccnc(OCCNC2CC2)c1F	2217187194	VAZMEEBBMYQEER-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
NCC1(CCOc2cc(B(O)O)ccn2)CC1	2217193585	WGEJLJXCSMHIEV-UHFFFAOYSA-N	236.080	-0.731	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncc[nH]1	2217199485	MRDWNJUXWUOQOG-SSDOTTSWSA-N	232.052	-0.342	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1Nc1cc(B(O)O)ccn1	2217204305	HYTNVMYPTMGEBG-KHQFGBGNSA-N	236.080	-0.261	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CNC[C@@H]3C2)c1	2220067942	WOSCJFDAEOZRNJ-VXGBXAGGSA-N	246.119	-0.982	50	10	BBGE	
OB(O)c1cnc(NCC2C3(CC3)C23CC3)nc1	2223636333	IQZNTOBEVATYGA-UHFFFAOYSA-N	245.091	-0.242	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@H]3CCOC[C@@H]32)cc1B(O)O	2223641885	DVFMPJSMMTUOAO-HOTUBEGUSA-N	248.091	-0.483	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3C[C@H]2CN3)cc1B(O)O	2223654008	XBXHRPNGDJKNOT-IQJOONFLSA-N	247.107	-0.768	50	10	BBGE	
CC1(CCN=c2ncc(B(O)O)c[nH]2)CCCC1	2223665541	GUOISRJZJRXKHK-UHFFFAOYSA-N	249.123	-0.039	50	10	BBGE	
CN(C)CCN1CCC(B(O)O)CC1	2241736980	NVRHGBWWXCIYRM-UHFFFAOYSA-N	200.091	-0.513	50	10	BBGE	
OB(O)c1csc(SCC2COC2)n1	2241876821	KCKRRTNGNVTKQP-UHFFFAOYSA-N	231.107	-0.439	50	10	BBGE	
CCN(C)c1cc(B(O)O)c(Cl)cn1	2242392372	VMILLACCCHVJAQ-UHFFFAOYSA-N	214.461	-0.129	50	10	BBGE	
C[C@H]1CC[C@H](N(C)C(=O)C#CB(O)O)CS1	2243349763	QBTDIYFTPARYAY-IUCAKERBSA-N	241.121	-0.256	50	10	BBGE	
O=C(NC1CC(F)C1)c1ccc(B(O)O)s1	2243350105	VTTJFWRPBCTIIQ-UHFFFAOYSA-N	243.068	-0.342	50	10	BBGE	
C=CC1(NC(=O)c2occc2B(O)O)CC1	2243359603	UWSZISILFJWBMR-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC(O)C1	2243382004	KEYIEHFLSRVJOB-NLZKFAMNSA-N	227.069	-0.731	50	10	BBGE	
Cc1sc(C(=O)N[C@@H](C)CF)cc1B(O)O	2243383229	VZXRWKZRKKRTJO-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
CC[C@H](CCO)NC(=O)C1CC(B(O)O)C1	2243396919	SMNKJDZCDVPZLS-AMDVSUOASA-N	229.085	-0.483	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CCN1	2243396984	TYKUNURFFULEMC-UEJVZZJDSA-N	226.085	-0.940	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H](C)CO	2243403664	ASRKOAHLLIEKNE-MSIFESELSA-N	229.085	-0.628	50	10	BBGE	
CC1=CCN(C(=O)c2ccoc2B(O)O)C1	2243406921	ICZMYUNPMZVTBP-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
CCN(OC)C(=O)c1cc(C)c(B(O)O)s1	2243409978	SIMVVIKNUSWIPT-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
CC#CC(=O)Nc1ccc(F)cc1B(O)O	2243684495	AQUWXTMLMFWCRT-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
NC[C@@H](CF)Oc1cc(B(O)O)c(Cl)cn1	2245913722	XBKJGCVEWBHVFI-RXMQYKEDSA-N	248.450	-0.910	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)c1ncc[nH]1	2247723215	QUSOBNUZAWZSRK-SSDOTTSWSA-N	237.068	-0.016	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ccncc1B(O)O	2247723596	ULLWUTIDRUYTGT-QMMMGPOBSA-N	236.080	-0.320	50	10	BBGE	
O=C(C#CB(O)O)NCC1(O)CCCCCC1	2247744665	WGJFRGCIEWAQNP-UHFFFAOYSA-N	239.080	-0.797	50	10	BBGE	
CC(C)(O)C(C)(C)CNC(=O)C1(B(O)O)CC1	2247751340	WLPHDDMDQFDLCN-UHFFFAOYSA-N	243.112	-0.093	50	10	BBGE	
C=CCONC(=O)c1cc(F)ccc1B(O)O	2247759964	ZKJGFUNPTGPRRT-UHFFFAOYSA-N	239.011	-0.647	50	10	BBGE	
CO[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247790841	JTGBAXKTTYKOEP-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247791021	KSTBEKYGHUHFLS-RGOKHQFPSA-N	240.112	-0.517	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1F	2247798617	VWANVMTVRKQLSV-FNCVBFRFSA-N	245.059	-0.565	50	10	BBGE	
O=C(NC1CN(C2CCC2)C1)[C@@H]1C[C@H]1B(O)O	2247800071	KZPRFAGWNVYVOO-NXEZZACHSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2247801244	YQSVKWWNHCLFHF-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)C(=O)C1CC(B(O)O)C1	2247810377	XACJLXNVIQZWQH-BMNUFHGDSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](CO1)C2)[C@@H]1C[C@@H]1B(O)O	2247810562	YIDSYMLCPFZXIQ-REIXXSIJSA-N	239.080	-0.465	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCO[C@H]2CCC[C@@H]21	2247855411	RRCHJUOGMBCPTE-KATARQTJSA-N	239.080	-0.371	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H](B(O)O)C1	2247859373	MMQJMXGTVHLPHK-QCLAVDOMSA-N	238.096	-0.846	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CC2)c(C)o1	2247874508	RBCIRIDRGOFOLB-UHFFFAOYSA-N	238.052	-0.085	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)C1(B(O)O)CC1	2247877543	HZMQGPKODPPURQ-DJLDLDEBSA-N	238.096	-0.668	50	10	BBGE	
C#CC1CN(C(=O)c2cc(B(O)O)sc2C)C1	2247886348	AWBAWIQYENGABH-UHFFFAOYSA-N	249.100	-0.558	50	10	BBGE	
C[C@@]1(CNC(=O)C2CC(B(O)O)C2)CCOC1	2247891951	QXSGXYCWSZUXKY-AMUVOQDHSA-N	241.096	-0.218	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895457	SQOXTGFIDVHZGS-YIZRAAEISA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1cnn(C)c1	2247896266	FWHOAWFAPCCVOH-VDAHYXPESA-N	237.068	-0.540	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910056	MNHVEOFMXZTPAR-DOLQZWNJSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cc1F	2248242918	NBNIYTJHZKVANV-CAHLUQPWSA-N	238.027	-0.505	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)[C@@H]1C[C@@H]1B(O)O	2248586582	CXPOAKGUCVMKFW-OOJXKGFFSA-N	241.052	-0.687	50	10	BBGE	
Cc1cc(F)c(B(O)O)cc1C(=O)NN(C)C	2249383738	ITHRADBXGAEKHY-UHFFFAOYSA-N	240.043	-0.980	50	10	BBGE	
C#CC1CC(NC(=O)c2cc(B(O)O)co2)C1	2249407808	CSQJDADBDMPTLZ-UHFFFAOYSA-N	233.032	-0.899	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(CCCCC(=O)NN)C2	2249573514	BJNXXRBDAPCYSW-IAZYJMLFSA-N	241.335	-0.151	50	10	BBGE	
O=C(NCCc1ccco1)c1cc(B(O)O)c[nH]1	2255463391	IFLVRNOWXGBUSN-UHFFFAOYSA-N	248.047	-0.740	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]12	2255473546	MRXUEPOYSROUNX-KHQFGBGNSA-N	249.075	-0.313	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(F)cc1B(O)O	2255498093	MPPVRNANPVSQIN-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cn2)C1	2255533459	ZUFOCPCULZALHD-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1cccc(F)c1)c1c[nH]nc1B(O)O	2255548132	RKJMBWMKTBPXNE-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(NC1(C2CC2)CCC1)c1cc(B(O)O)c[nH]1	2255679664	IKHVYDJZQMPQII-UHFFFAOYSA-N	248.091	-0.243	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1ncccc1B(O)O	2255710765	PAZGFRJLXHNVBB-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
Cn1cccc1CNC(=O)c1ccoc1B(O)O	2255722730	SLTBISKBJNPVQM-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
CCn1ccnc1NC(=O)c1coc(B(O)O)c1	2255723719	HSUMFAUTGOCVJM-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ncc(B(O)O)cn2)C1	2255774933	MWSOGMZEYDALAN-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
COc1n[nH]cc1CNc1cc(B(O)O)ccn1	2256542854	ZASBZAGCEMRGKR-UHFFFAOYSA-N	248.051	-0.895	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CC(C)(C)C1	2257487477	NJOIMRRNZPRZNG-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
NNC(=O)CCN1Cc2ccccc2C[C@@H]1CO	2264205192	OEPFQNODUZDUPC-GFCCVEGCSA-N	249.314	-0.214	50	10	BBGE	
C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375271	CHMMVPGBZOIIII-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2298376964	ZLDQMYNVKGRMBA-SRQGCSHVSA-N	239.080	-0.779	50	10	BBGE	
COC[C@]1(C(=O)O)C=CCN1C(=O)NN(C)C	2299730224	IWFFUAYPBVFDQI-JTQLQIEISA-N	243.263	-0.486	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC(F)(CO)C1	2300367141	GIDVNZACOALYDK-IUCAKERBSA-N	245.298	-0.591	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCn1ncccc1=O	2300383387	LPPNFSXDJKWZSH-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
CC(C)=C(CN(C)Cc1ncn(C)n1)B(O)O	2301852399	KYTUZVCVNCHITH-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
CC(C)=C(CN1CCO[C@H]2COC[C@H]21)B(O)O	2301958100	HXPTVYDNYYPBMG-MNOVXSKESA-N	241.096	-0.566	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCC12CN(C)C2	2302020417	OPBWDFZIRPIRLP-SNVBAGLBSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)C(C)(C)C(N)=O	2302050092	NJXQELZAKNBUMZ-QMMMGPOBSA-N	244.339	-0.269	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cccnn2)C1	2303112632	UHMZLYCSRPDUDW-SNVBAGLBSA-N	235.052	-0.444	50	10	BBGE	
CN1CC[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317309577	UWJYYARALBJVNI-NSHDSACASA-N	248.091	-0.705	50	10	BBGE	
CN(C[C@H]1CCO1)c1ccc(C=O)c(B(O)O)c1	2318626975	UQZQYCNLMONEJL-LLVKDONJSA-N	249.075	-0.596	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2cccn2)O1	82468452	QKVDJLUDNUTSLN-HTQZYQBOSA-N	210.237	-0.579	50	10	BBGE	
NNC(=O)c1occc1CN1CCOC1=O	82471320	IOCPBFLAYOMNSQ-UHFFFAOYSA-N	225.204	-0.165	50	10	BBGE	
Cc1cnc(=O)n(CCCC(=O)NN)c1	82471733	MUVIIPHRMJXWFV-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
Cn1cnnc1CCNS(=O)(=O)CCl	82513395	QSSALDQZJSVQQZ-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
CN(C)CCSC[C@@H]1CC[C@@H](C(=O)NN)O1	87417303	DKFCBRSZPLDWHU-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
CC(C)(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O	202351172	YLQGXGBOYJWXBT-SFYZADRCSA-N	228.101	-0.637	50	10	BBGE	
C=CCN/C=C(/C#N)C(=O)NCCOC	216554170	DLAPIIWZKRIJQL-HJWRWDBZSA-N	209.249	-0.068	50	10	BBGE	
CC[S@](=O)CCN1CC(=O)OC(=O)C1	217488345	OUWYSIJEFIQJCX-AWEZNQCLSA-N	219.262	-0.860	50	10	BBGE	
O=C(CBr)NC[C@@]1(O)CCOC1	227128089	OAXAODFQEWLRJW-ZETCQYMHSA-N	238.081	-0.351	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@H](C)COC	232419587	WYXKRHICHSYRMV-BDAKNGLRSA-N	233.312	-0.652	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CCCO1	251550339	BEQKJWBYGPEYGJ-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
OB(O)c1c(C2CCNCC2)ccc2c1OCO2	258490180	YTLQMYHFNMGVIJ-UHFFFAOYSA-N	249.075	-0.438	50	10	BBGE	
CNC(=O)[C@]1(C)CCN(C[C@H](C)C(=O)NN)C1	300712629	KICKLFFRFYNUCM-GZMMTYOYSA-N	242.323	-0.930	50	10	BBGE	
OB(O)c1ccc(OC(F)(F)F)nn1	306279094	XYRWLKIOCGVROL-UHFFFAOYSA-N	207.904	-0.945	50	10	BBGE	
CS(=O)(=O)NNC(=O)C(F)(F)F	307043647	VCTBKYHENLHLST-UHFFFAOYSA-N	206.145	-0.871	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(O)(C(C)C)C1	383981930	LWGCXDTYWIMJQS-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@H]1COc1ccccc1B(O)O	386895003	OARCTNNEHIMQJZ-JTQLQIEISA-N	235.092	-0.161	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@@H](C)S(N)(=O)=O	398236256	LZKVJOHMQJUIAC-NTSWFWBYSA-N	242.728	-0.346	50	10	BBGE	
CC(C)[C@@H](SCCC(N)=O)C(=O)NN	399186587	WDRBIVFAJMOTLT-SSDOTTSWSA-N	219.310	-0.391	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CCCOC1	401617808	OIYJXJPAOXCOKW-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COCC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405006974	QBIBWDYHVXOCEY-MRVPVSSYSA-N	237.064	-0.810	50	10	BBGE	
CN1CCNC[C@@H]1C(=O)NCC(Cl)Cl	686918119	ITLPIXQZJMCDPK-ZCFIWIBFSA-N	240.134	-0.190	50	10	BBGE	
CN1CC[C@@H](C(=O)N2CCC(O)(C#N)CC2)C1	692084720	ICWXEAUHGMSKOT-SNVBAGLBSA-N	237.303	-0.185	50	10	BBGE	
CO[C@@](C)(CCl)CNCc1nnnn1C	697757082	DHBVJMBHAFVLNZ-QMMMGPOBSA-N	233.703	-0.056	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)C[C@@H]1CO	700396816	DWDTZKKPMZJVHX-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
O=C(Cn1cnc2ccccc21)NCB(O)O	702030513	OUTQKFOFSDYIQJ-UHFFFAOYSA-N	233.036	-0.836	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN1[C@H](C)CC(=O)NN	706194979	SYIPLBUZLDDLKK-YIZRAAEISA-N	215.297	-0.400	50	10	BBGE	
CSC[C@H]1CCN(C(=O)C(=O)NN)C1	706394821	BFFRCZZBNWMNKV-LURJTMIESA-N	217.294	-0.812	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(n2cncn2)C1	707392563	ZEQBYHADYLSRAB-VIFPVBQESA-N	238.295	-0.707	50	10	BBGE	
CN1C[C@H]2CC[C@H]1[C@H]1CN(CC(=O)NN)C[C@H]21	707994362	YCRCDNAHVPPESN-ZNSHCXBVSA-N	238.335	-0.752	50	10	BBGE	
C#CC[C@@H](O)CNC(=O)CBr	717904135	PUIBGKGTHWVNFX-ZCFIWIBFSA-N	220.066	-0.118	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC([C@H](C)O)C1	719809359	BBSIMBCORYNSDO-WCBMZHEXSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CC(=O)NN)CCO1	720474927	PFDFTEMKAAECAK-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
O=CC1=CC[C](N2C[C@H](O)[C@H](O)C2)S1	725566513	SRIHDYHKGGUPHQ-OCAPTIKFSA-N	214.266	-0.267	50	10	BBGE	
C[S@@+]([O])(=O)CC[N+]1=N[C@H](N)C(C#N)=C1	725572126	RLSLMETWZUKBAL-ZETCQYMHSA-N	215.258	-0.368	50	10	BBGE	
Cn1ncc(C=NNC(=O)Cc2ccccn2)n1	814838644	VWFUGEWNQRQLMK-UHFFFAOYSA-N	244.258	-0.097	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCC(F)(F)CO2)c1	888083837	KSOLAVFXNNQPIQ-QMMMGPOBSA-N	246.022	-0.623	50	10	BBGE	
O=C(COCC1CC1)NNC(=O)c1ncon1	1289418444	WAQSJRSDVCUHOS-UHFFFAOYSA-N	240.219	-0.743	50	10	BBGE	
CN(C)C(=O)NNC(=O)Cc1ccon1	1318859580	HFTNUMCBQXHFFT-UHFFFAOYSA-N	212.209	-0.481	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)N[C@H]2CC23CC3)cn1	1326210096	DUPAVNCYQCWUPO-QMMMGPOBSA-N	249.274	-0.083	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@@H]1CCN(C)C1	1332149602	UGKDFVDNTJTTMY-ZJUUUORDSA-N	229.324	-0.328	50	10	BBGE	
C[C@H]1CO[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1	1332891986	BRLLGSRZNHLRTQ-HTRCEHHLSA-N	238.247	-0.404	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1	1469120938	XPVGVQLDSVHAPA-HTQZYQBOSA-N	231.215	-0.603	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)N2CC(O)C2)cn1	1629838274	XHGDDMZYEUFWHB-XNWCZRBMSA-N	232.243	-0.470	50	10	BBGE	
C=CCCONC(=O)c1cccc(B(O)O)c1	1642536452	DFMCILAYHVCBTP-UHFFFAOYSA-N	235.048	-0.396	50	10	BBGE	
CS(=O)(=O)NCCSSCCN	1880846602	GHISMXGIFNOEAX-UHFFFAOYSA-N	230.380	-0.124	50	10	BBGE	
C[C@@H]1[C@H](O)CN1S(=O)(=O)CCCl	1880920852	OHEFEUQAUIUSRY-PHDIDXHHSA-N	213.686	-0.380	50	10	BBGE	
NC(=O)[C@H](N)CNC1CC(Br)C1	1880964423	JOOPNALGEVQSQO-JMMWHDCWSA-N	236.113	-0.686	50	10	BBGE	
O[C@@H]1CN=C(NC2CC(Cl)C2)NC1	1881718482	GWABXBZCDPHTRF-UHFFFAOYSA-N	203.673	-0.334	50	10	BBGE	
CCOC(=O)NS(=O)(=O)NOCCCl	1888307455	CLFRLQOQGKVLPL-UHFFFAOYSA-N	246.672	-0.263	50	10	BBGE	
CN(NC(=O)C(F)F)S(=O)(=O)C1CC1	1888561694	HRMUSUGLCSRRKD-UHFFFAOYSA-N	228.220	-0.293	50	10	BBGE	
Cn1[nH]c(=NC[C@H]2C[C@@H]2Cl)nc1CO	1893099411	OUESWJBQWVMFCQ-RITPCOANSA-N	216.672	-0.232	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ccncc1B(O)O	1895125758	JBVUWTURXJVKEP-BDAKNGLRSA-N	220.081	-0.146	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NNC(N)=O)O1	1900924080	ZSJPXWRAIQQTTA-RITPCOANSA-N	201.226	-0.357	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1COCC1(C)C	1901128454	JPTJAIKRLHZOJT-DTWKUNHWSA-N	229.324	-0.031	50	10	BBGE	
C#C[C@@H](C)Oc1ccc(B(O)O)cc1C#N	1901209848	XDFQXSBTVYOVRR-MRVPVSSYSA-N	215.017	-0.361	50	10	BBGE	
CC(C)(COCC1[C@H]2COC[C@H]12)C(=O)NN	1902166611	XGTKBLZASYBDLL-YUMQZZPRSA-N	228.292	-0.089	50	10	BBGE	
C[C@@H](COCc1nc(B(O)O)cs1)N(C)C	1902659139	ZNBWYMVWQWHGMD-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
O=C([C@@H]1[C@@H]2CCCO[C@@H]21)N1CC[C@H](B(O)O)C1	1905582958	DUNWSNORUHFBOC-QEYWKRMJSA-N	239.080	-0.513	50	10	BBGE	
CCC[C@H]1NC(=O)N(C[C@@H](C)C(=O)NN)C1=O	1912214800	XKGKSBFUBQEPOX-RNFRBKRXSA-N	242.279	-0.667	50	10	BBGE	
C[C@H](CC(=O)NN)N=S1(=O)CCOCC1	1913855621	KLMACKOCNPVQTN-SSDOTTSWSA-N	235.309	-0.747	50	10	BBGE	
COC1CC(N(C)CC(F)(F)C(=O)NN)C1	1914822720	DZCBJHUMJSMROR-UHFFFAOYSA-N	237.250	-0.279	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@H]1CCNC1=O	1916837594	GFVVBMVNXQBISE-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
COC[C@@](C)(CCl)CN=c1nn[nH]n1C	1926958538	BNMURGWJDKSSPP-QMMMGPOBSA-N	233.703	-0.065	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@H]2CCCC[C@@H]21	1928146390	FKCCARYMHYGOKH-HRDYMLBCSA-N	211.070	-0.059	50	10	BBGE	
C#C[C@H]1CCCN1CC(=O)NNC(C)=O	1928162833	SWQQSXMVXUYANB-VIFPVBQESA-N	209.249	-0.749	50	10	BBGE	
CCON(CCOCC(=O)NN)C(C)C	1928665738	NHIVMJWBZPIAOI-UHFFFAOYSA-N	219.285	-0.345	50	10	BBGE	
Cn1cnc(=NC(=O)NC(=O)CCCl)[nH]1	1929100587	QPYCGRBSYFIHIB-UHFFFAOYSA-N	231.643	-0.486	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@](C)(O)CO1	1930291799	QKRLGXGNJNHKTD-VXNVDRBHSA-N	217.269	-0.857	50	10	BBGE	
CO[C@H](C)CN(C)CC1(C(=O)NN)CC1	1931265342	NWGHZFFLGWCNHH-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
CN1CCCC[C@@H]1C(=O)NNC(N)=O	1931433753	VLLUZHHEOUJHMM-ZCFIWIBFSA-N	200.242	-0.830	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)CCC(=O)NN	1932312388	IKDWTJIFSZYQCP-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CN(CCOCC(=O)NN)Cc1ccoc1	1936526179	LDHUXNBDVGSZAD-UHFFFAOYSA-N	227.264	-0.282	50	10	BBGE	
Cc1cnc(SCCOCC(=O)NN)nc1	1936527332	UYBAVJLAGODOEU-UHFFFAOYSA-N	242.304	-0.116	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC(F)(F)CO	1938123128	WTLCMTUAEUHESH-SSDOTTSWSA-N	239.266	-0.440	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1OCCO[C@H]1C	1940290476	AZUTYUGDQYBQBF-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCn2ccnc2C1	1941081340	AXTLWEFOGQUPAX-DTWKUNHWSA-N	235.291	-0.675	50	10	BBGE	
CC(C)N(CCOCC(=O)NN)CC(C)(C)O	1941780527	QJVVSRAPFFPRKX-UHFFFAOYSA-N	247.339	-0.526	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC2(CCC2)CO1	1957616627	MVVACCFQDBEPLC-SSDOTTSWSA-N	213.042	-0.926	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@@H](C)CC(=O)NN	1978306393	WRSADFNRVJDBNK-WPRPVWTQSA-N	229.324	-0.010	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC12CC2	1979192176	WPTITMKJMJCORG-DTWKUNHWSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](CCF)C1	1979205621	OKFNBHZEBWCQPI-IUCAKERBSA-N	233.287	-0.327	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3CCO[C@H]3C2)CC1	1981242371	LYJCGUJOQUUXSK-BDAKNGLRSA-N	225.292	-0.523	50	10	BBGE	
CCC[C@H](C)N(C)c1ncc(B(O)O)cn1	1981408691	DHBNGBKVWWASSJ-QMMMGPOBSA-N	223.085	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COC[C@H]1C	1990775252	TVHZYFYCDDOSMO-APPZFPTMSA-N	229.280	-0.880	50	10	BBGE	
Cn1cc(C(=O)[C@@H]2C[C@@H]2Cl)c(=O)n(C)c1=O	1991685614	MGSAMJYALOXQPY-VDTYLAMSSA-N	242.662	-0.106	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)C[C@@H]1CO	1991706707	SJTCHQSPLCYBCS-UFUPEUMYSA-N	246.694	-0.557	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)CC12CNC2	1991713003	NOKQLAWBTWJNOJ-QOHHWTFISA-N	244.678	-0.757	50	10	BBGE	
C=C(CO[C@H]1C[C@H](n2cncn2)C1)B(O)O	1992152391	DVBNJVRKHMCNAY-KYZUINATSA-N	223.041	-0.434	50	10	BBGE	
C=C(CN1CCN(C2CCC2)CC1)B(O)O	1992154416	YBYOYIMJJDMDEH-UHFFFAOYSA-N	224.113	-0.275	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](O)CC1(C)C	2003744339	MPQALTUSVYJGGR-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1c1ncon1	2004033813	WXFVVHGQBCTOQI-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
CO[C@@H](C)CCN(C)c1ccncc1B(O)O	2009689569	LPQUQPHVIFOLAV-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)O	2012843085	WXVWVDNFUYEMGF-NPAAXZMTSA-N	239.275	-0.129	50	10	BBGE	
CCO[C@]1(CN(C)[C@@H](C)C(=O)NN)CCOC1	2014573309	NNMQXISRUHPILP-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
CCCN(CC(=O)NNC(C)=O)[C@@H]1CCOC1	2019215261	UJWKGUFYXACENE-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@@H]2CC[C@H](C1)O2	2020063822	ZDLHUTXLQJXHRQ-OWUUHHOZSA-N	239.080	-0.372	50	10	BBGE	
CCCCN(C(=O)C(=O)NN)[C@H]1CCCOC1	2020541893	SIUMGJSVRQGPJR-VIFPVBQESA-N	243.307	-0.216	50	10	BBGE	
CCCCN(C(=O)C(=O)NN)C1CCOCC1	2020546254	SVEDAZOMXNGDNM-UHFFFAOYSA-N	243.307	-0.216	50	10	BBGE	
C[C@]1(CN2CCC(O)(C#N)CC2)COCCN1	2023003657	UCLJVXWROGESSG-NSHDSACASA-N	239.319	-0.285	50	10	BBGE	
O=C(NNCCO)c1ccc(-c2nn[nH]n2)cc1	2031848143	NNIXTCYNYZYPOC-UHFFFAOYSA-N	248.246	-0.907	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c1B(O)O	2053737241	WJBMCIZGPGRCPN-QEYWKRMJSA-N	245.091	-0.691	50	10	BBGE	
O=C(Nc1ccc(B(O)O)c(F)c1)c1ncc[nH]1	2077802299	LWJSLRVPKWRUOE-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
CN1CCC[C@@H]1COCc1ccc(B(O)O)cc1	2080332087	JBRJVPWTLNESCH-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H]1C[C@@H](OCc2nscc2B(O)O)CO1	2211139459	GCXQJBIECOYYCC-RNFRBKRXSA-N	243.093	-0.483	50	10	BBGE	
C[C@@H]1C[C@H]1CCn1cc(B(O)O)ccc1=O	2211591446	UHYKTYWVPFMOEL-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
C[C@@H](O)C(C)(C)Nc1cc(B(O)O)ccn1	2212602280	BIMNOUZLNMMNPG-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)CCS1	2212610945	RTEGLPQUNUUTDF-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H](O)[C@H]1CC2	2216254259	YMBJCVMYKNZPCY-VPJKUYQRSA-N	241.335	-0.011	50	10	BBGE	
CC[C@H](N)[C@@H](CC)Oc1ncccc1B(O)O	2217171229	BZDFHOJUNYLGCB-VHSXEESVSA-N	238.096	-0.344	50	10	BBGE	
N#CC[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2217174098	WDTJSOQBMGBLSA-SECBINFHSA-N	231.064	-0.499	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2ccsc2)c1	2217177844	NXSPYUIKGGNGHO-UHFFFAOYSA-N	248.116	-0.101	50	10	BBGE	
CCC[C@@H](CN)Nc1cc(B(O)O)c(C)cn1	2217179587	MUYUVDJUILEHKJ-VIFPVBQESA-N	237.112	-0.391	50	10	BBGE	
Cc1cnc(N[C@@H]2CNC[C@@H]2C)cc1B(O)O	2217181081	YBTOWYPVZWMLND-WCBMZHEXSA-N	235.096	-0.910	50	10	BBGE	
CC(C)[C@H](O)[C@H](C)Nc1ccc(B(O)O)cn1	2217185224	ZLXOKEUDEMYBLG-KWQFWETISA-N	238.096	-0.421	50	10	BBGE	
N[C@H]1C[C@H](CCOc2ccc(B(O)O)cn2)C1	2217194065	ZVKQVEKNDCREQD-CZMCAQCFSA-N	236.080	-0.732	50	10	BBGE	
NCC1CC(COc2cc(B(O)O)ccn2)C1	2217194659	XFLJPTKJZQKOFP-UHFFFAOYSA-N	236.080	-0.875	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Nc1ncccc1B(O)O	2217198476	BSTOFZGURGXKNM-PSASIEDQSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H](CO)CCCNc1ncccc1B(O)O	2217202602	LFUBLLXTDDZXER-SECBINFHSA-N	238.096	-0.418	50	10	BBGE	
CN(C)CC1(Nc2ncccc2B(O)O)CC1	2217203744	ZVBPYRPFGBNGGQ-UHFFFAOYSA-N	235.096	-0.733	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)C[C@H]1F	2217204456	JZSUPYXCGMYEHJ-WCBMZHEXSA-N	238.071	-0.054	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1ccnnc1O	2222493025	GGUAWJRUWWEMPW-MRVPVSSYSA-N	249.035	-0.987	50	10	BBGE	
Cc1nc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)ncc1B(O)O	2222652084	AFKOZMDSZJMIMY-ILWJIGKKSA-N	247.107	-0.300	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2c1cc(B(O)O)ccn1	2223625246	DASLMYUFAPDCNQ-OUAUKWLOSA-N	248.091	-0.625	50	10	BBGE	
CC1(C)CN[C@@H](CNc2ncccc2B(O)O)C1	2223635469	XOZWVKWRFSLUKN-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](Nc1ncc(B(O)O)cn1)C2	2223643321	UPFZQHBGAZDZNX-WCABBAIRSA-N	249.079	-0.864	50	10	BBGE	
Cc1cnc(NCc2ncccn2)cc1B(O)O	2223650777	QSHFHLUVFNXMJR-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC[C@@H]2CNC[C@@H]21	2223675877	UGTPOIVOGDZODK-WCABBAIRSA-N	247.107	-0.829	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H](CN)OC1	2241263679	JASZSUVVGYHGRB-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CCC[S@](=O)NCCC#CB(O)O	2241902196	LVZFZTDSLKNMLO-ZDUSSCGKSA-N	203.072	-0.945	50	10	BBGE	
CC(C)CONC(=O)c1coc(B(O)O)c1	2243347316	LLHPBBKOPHTDDV-UHFFFAOYSA-N	227.025	-0.723	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1ccc(B(O)O)o1	2243349710	PHYLOPHAGJCYSA-YFKPBYRVSA-N	230.963	-0.903	50	10	BBGE	
CC(C)[C@]1(C)CC(=O)N1C(=O)C#CB(O)O	2243350130	WATUYOXFILAIFO-JTQLQIEISA-N	223.037	-0.825	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC[C@H]2C[C@H]21	2243356651	LFUCPIWBUSPLCQ-NKWVEPMBSA-N	237.089	-0.338	50	10	BBGE	
C[C@@H](N(C)C(=O)C1(B(O)O)CC1)C(C)(C)O	2243365265	KIHRNACGESRNFG-SSDOTTSWSA-N	229.085	-0.389	50	10	BBGE	
O=C(N[C@]12COC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2243381335	FIEMRYXLIDKUQS-BDNRQGISSA-N	225.053	-0.856	50	10	BBGE	
O=C(Nc1cnoc1)c1sncc1B(O)O	2243385936	RGWQTFBSGRNANT-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@H]1CO	2243391136	GXXPVGGTDYXOMH-HACHORDNSA-N	227.069	-0.777	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H](C)O	2243396403	LSZKNBIXAKPGJI-JBDRJPRFSA-N	229.085	-0.485	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C[C@H](C)O1	2243397194	XBGLISGMUCIUOH-JBDRJPRFSA-N	227.069	-0.515	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)C2(B(O)O)CC2)C1	2243409247	DNTXXPLJEADGAH-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1O2)C1(B(O)O)CC1	2243411557	WEAZDPDMSSPRMS-GJMOJQLCSA-N	225.053	-0.571	50	10	BBGE	
COC[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415145	PBGXRQWZUIVBAY-XHNCKOQMSA-N	229.085	-0.362	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccsc1B(O)O	2244143298	JGHOWEWKMXYGLI-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
CN(CC1CC1)C(=O)c1cocc1B(O)O	2244205287	HWNSCEZAGTZMEO-UHFFFAOYSA-N	223.037	-0.559	50	10	BBGE	
O=C(NCCCCF)c1cocc1B(O)O	2244212155	LUNBPJKDCAZCGF-UHFFFAOYSA-N	229.016	-0.561	50	10	BBGE	
C=C[C@H](CO)Nc1cc(B(O)O)c(Cl)cn1	2245912561	CGECXGCZHQLGAK-ZCFIWIBFSA-N	242.471	-0.626	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCOC1CCC1	2246816828	SRIHTFSZYDRKMP-UHFFFAOYSA-N	237.064	-0.025	50	10	BBGE	
C=C(F)CN(C)C(=O)c1ccncc1B(O)O	2247733219	AGKNXKOLNVUEMT-UHFFFAOYSA-N	238.027	-0.683	50	10	BBGE	
C[C@H](NC(=O)c1ccoc1B(O)O)[C@H]1C[C@H]1C	2247739972	DODGDYUHDXAXBF-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(C2CC2)C1	2247747817	SOBOPTLBLAEPMJ-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CCCNC(=O)c1cc(B(O)O)cn1C1CC1	2247758967	NEQJZVAEQDILTD-UHFFFAOYSA-N	236.080	-0.357	50	10	BBGE	
C[C@@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2247772371	UJEJOPXTUDJEFL-SSDOTTSWSA-N	234.064	-0.710	50	10	BBGE	
CCC[C@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCNC1	2247789870	CCMHXDHWNLFQSU-YWVKMMECSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790410	HCFOFMDSJZGBDL-QEYWKRMJSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247799155	ADOOKQVCVRSIQJ-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]21	2247810746	ZVZMXMRXXAHQGY-GRDBIXFFSA-N	238.096	-0.955	50	10	BBGE	
CN(C[C@H]1CCC(F)(F)C1)C(=O)C#CB(O)O	2247850090	JRYMVFBUVFQLHW-QMMMGPOBSA-N	245.034	-0.104	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850820	UDPYVXRQYQMTKF-SFYZADRCSA-N	236.080	-0.530	50	10	BBGE	
CCCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247852740	YVNHGNXWMBYVIY-ZJUUUORDSA-N	240.112	-0.597	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1ncccc1B(O)O	2247869173	MZZJJAWJXOHCFJ-JGVFFNPUSA-N	234.064	-0.853	50	10	BBGE	
CCCN(O)C(=O)c1c(C)cccc1B(O)O	2247875317	VVDMCLLUPFVLRX-UHFFFAOYSA-N	237.064	-0.084	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247878017	LCSKMABDFRIUBN-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)C2CC(B(O)O)C2)C1	2247891980	RJSRXXVBVRJEPF-AMUVOQDHSA-N	241.096	-0.530	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@]12CCOC2	2247894689	JSJQHLQPKIRQAA-QXEWZRGKSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247898823	IADHMHKUACCBLK-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(C)N(CCCO)C(=O)[C@@H]1C[C@H]1B(O)O	2247899160	KXWPJMMOZPFZIP-RKDXNWHRSA-N	243.112	-0.141	50	10	BBGE	
O=C(Nc1nccc(F)n1)[C@H]1C[C@@H](B(O)O)C1	2247909141	FVLXOFSTJXFFTC-OLQVQODUSA-N	239.015	-0.193	50	10	BBGE	
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248575709	HKUUCBONKMIKRB-QGOVLLJGSA-N	241.052	-0.781	50	10	BBGE	
O=C(NCCC#CB(O)O)C1C2(CC2)C12CC2	2250002040	GDKXROGKOKURLV-UHFFFAOYSA-N	233.076	-0.302	50	10	BBGE	
CCc1nc(C(=O)NCCC#CB(O)O)co1	2250004740	OMNRIQAELYDJGO-UHFFFAOYSA-N	236.036	-0.628	50	10	BBGE	
CN(CC[C@@H]1CCO1)c1ccncc1B(O)O	2253129731	OEJQRIRQHDBHHF-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
C#CCN(CC(C)C)C(=O)c1coc(B(O)O)c1	2255444626	NGSVYZGHYXRKOF-UHFFFAOYSA-N	249.075	-0.309	50	10	BBGE	
CC1CC(CNC(=O)c2ccncc2B(O)O)C1	2255448543	FXDKEQZSIQTLEB-UHFFFAOYSA-N	248.091	-0.463	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1ccc(B(O)O)o1	2255469291	NGBCWPLXBLUGEJ-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1occc1B(O)O	2255481707	KYCASKRDBDKXIG-JTQLQIEISA-N	247.059	-0.557	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1cccc(B(O)O)c1F	2255499070	ZFPKKWNFOFBLEL-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H](C)CC#N	2255510589	YCVDGUZRUHTJGG-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@H]21	2255511675	NISQEXOFZXSXPQ-PSASIEDQSA-N	248.091	-0.578	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1	2255511735	OCPIBSAFWSOCSF-VIFPVBQESA-N	249.050	-0.189	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@@H]2CCC[C@@H]21	2255515972	FHNMYFMFKDYSGE-KWQFWETISA-N	246.075	-0.614	50	10	BBGE	
C=CC1(NC(=O)c2ccc(B(O)O)cn2)CCC1	2255516599	NTCQRMKPZQFMMH-UHFFFAOYSA-N	246.075	-0.400	50	10	BBGE	
O=C(NC[C@]12CCC[C@H]1C2)c1ccc(B(O)O)o1	2255669719	SJNVCRQKMASBDE-QPUJVOFHSA-N	249.075	-0.121	50	10	BBGE	
CCC=C1CN(C(=O)c2cncc(B(O)O)c2)C1	2255737021	YKSHTKAMIVVHLX-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1cocc1B(O)O	2258144203	VQZAMQTVRXKTKS-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@@H]1C1CCC1	2258151411	OTVZPYXLQJQKFU-LLVKDONJSA-N	249.075	-0.026	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375169	VBEPEENYYAJXLV-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298377169	GZENEMNNNUQUPY-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C(=O)O	2298463410	BAEHSUDMQOCRAI-YWIQKCBGSA-N	241.052	-0.972	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1CN2)[C@H]1C[C@H](B(O)O)C1	2302385518	NUJRCFHLYCJZGS-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
C[C@H](CC(=O)O)CC(=O)N1CC[C@@H](B(O)O)C1	2303112421	RVROYLHLNZQLFV-JGVFFNPUSA-N	243.068	-0.437	50	10	BBGE	
C=C1CC(NC(=O)C#CB(O)O)(C(F)(F)F)C1	2303197179	UPLKQHWJKSJGRC-UHFFFAOYSA-N	246.981	-0.231	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H]3CC[C@H]2C3)n1	2309543776	DYNWTOWAGVFTRJ-ZJUUUORDSA-N	247.107	-0.238	50	10	BBGE	
C=C1C[C@@H]1C(=O)N(C)Cc1ccc(B(O)O)cc1	2319329028	LKSOSBRPCUMWFY-LBPRGKRZSA-N	245.087	-0.099	50	10	BBGE	
CCN(CC)CCNC[C@H](C)C(=O)NN	58837701	GNVHSDDBRYWTHF-VIFPVBQESA-N	216.329	-0.456	50	10	BBGE	
NC(=O)N/N=C(\C(=O)O)c1ccncc1	75615387	OTZUWQKMULBYGE-WDZFZDKYSA-N	208.177	-0.461	50	10	BBGE	
NNC(=O)CCCCn1cc([N+](=O)[O-])cn1	82468317	SZTIQIDCHSACKE-UHFFFAOYSA-N	227.224	-0.049	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468777	JXKLJIKMSYSIMU-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSC2COC2)O1	86196135	GGDDNSXMQYXBPJ-XPUUQOCRSA-N	232.305	-0.344	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)NNC(=O)CSC	89995207	NKFQEJQGPXQJKT-RQJHMYQMSA-N	232.305	-0.078	50	10	BBGE	
NC[C@@H]1CCN(Cc2ccoc2C(=O)NN)C1	110577663	XPJKRTFYOBZJHJ-QMMMGPOBSA-N	238.291	-0.336	50	10	BBGE	
N[C@@H](CI)C(=O)O	114883684	DIZAJUVUZKMLQL-REOHCLBHSA-N	214.990	-0.167	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NCCCl)C[C@H](C)O1	170331617	OHSCAVWBAXTCJE-YUMQZZPRSA-N	248.710	-0.023	50	10	BBGE	
CSCC(=O)NNS(=O)(=O)C1CC1	185632056	LFDYWPNKDWHYOX-UHFFFAOYSA-N	224.307	-0.538	50	10	BBGE	
NNC(=O)C[C@@H]1CCCCS(=O)(=O)C1	215804864	BDHGSSRKKZLDOA-ZETCQYMHSA-N	220.294	-0.419	50	10	BBGE	
CS[C@H](C)CCNC(=O)C(=O)NN	217323915	XHNWQQOWHHZDGC-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
CC(C)N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223065939	DTPKVFXCLDMXPY-BDAKNGLRSA-N	215.297	-0.136	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)[C@@H]1CCOC1	226629572	FAOCZQVASNVQKJ-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@]1(O)CCOC1	227128245	GGUOYSXWQPXPAN-POYBYMJQSA-N	207.657	-0.119	50	10	BBGE	
CC[C@@H](CO)NC(=O)NC=C(C#N)C#N	238273719	IPDROIWKOVGDFN-QMMMGPOBSA-N	208.221	-0.012	50	10	BBGE	
COC1(N=C=O)CCS(=O)(=O)CC1	257833835	ICKWRPWCUIYUGS-UHFFFAOYSA-N	205.235	-0.127	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300237948	GPQGKITXVKVDSX-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)CC(N)=O	300748294	DWWSHWYJAFOCTC-RXMQYKEDSA-N	213.686	-0.239	50	10	BBGE	
OB(O)c1cc(F)nc([C@H]2CCCNC2)c1	309193560	QQVVJRBVTBQTSG-ZETCQYMHSA-N	224.044	-0.633	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@](C)(CN)C1	309394078	FXGBTMNBKIHZKI-KOLCDFICSA-N	228.340	-0.328	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[S@@](=O)CC1	321867229	KDTGTCOFQLJNRN-JDNHERCYSA-N	247.364	-0.545	50	10	BBGE	
Nc1c(B(O)O)ccc(F)c1OC(F)(F)F	322272322	PEYMVOZCZLTUSX-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(C[C@@H](O)CCl)C1	379574825	KZWHDLSLZYTBBK-XHNCKOQMSA-N	223.700	-0.332	50	10	BBGE	
OB(O)c1ccncc1O[C@H]1CCCCO1	382071233	GBXRTWALAANNRF-JTQLQIEISA-N	223.037	-0.333	50	10	BBGE	
CCOC(=O)CC(C)=NNC(=O)CN	383918133	GLRUPGGHMWHKKI-UHFFFAOYSA-N	201.226	-0.610	50	10	BBGE	
NNC(=O)CN1C[C@@H]2C(N3CCCC3)[C@H]2C1	384250700	LCLDRICWIHTVCQ-IUCAKERBSA-N	224.308	-0.998	50	10	BBGE	
C[C@H](CCl)C(=O)NCc1nnnn1C	389308756	QAFQUGJYTAMCOT-RXMQYKEDSA-N	217.660	-0.299	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(CC(=O)NN)[C@H]1[C@H]3C2	394365548	NUPCOKDOGONWRU-IHFUKEFASA-N	225.292	-0.669	50	10	BBGE	
CCOCCC(=O)Nc1ncc(B(O)O)s1	404975156	APHUGMVHSUHMNB-UHFFFAOYSA-N	244.081	-0.812	50	10	BBGE	
CO[C@@H]1CC[C@@H]2NC[C@@H](Cl)C(=O)[C@@H]2N1	605704954	JIDJCKNAQIPSOB-ULAWRXDQSA-N	218.684	-0.141	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC1CN(C)C1	692718431	IXBXTHIRNDIMLI-JTQLQIEISA-N	228.340	-0.506	50	10	BBGE	
CCN(CC)CCn1nc(C)c(B(O)O)c1C	703722737	UVFMQLJHKCCTDM-UHFFFAOYSA-N	239.128	-0.478	50	10	BBGE	
CNNC(=O)c1ccc(S(=O)(=O)N(C)C)o1	704616698	TYNJXLORGULPHB-UHFFFAOYSA-N	247.276	-0.606	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C(F)F)C1	706487215	KUODIQYDMBNWEV-RXMQYKEDSA-N	207.224	-0.048	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@@H]1COC[C@H]1O	708110749	GKTPWSXSRUFWMB-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CN(CCCCCC(=O)NN)[C@H]1COC[C@H]1O	708110751	GKTPWSXSRUFWMB-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](C(N)=O)N(C)C(=O)NC(=O)CCCl	711209283	IGDQXNIISLLGRS-RXMQYKEDSA-N	235.671	-0.343	50	10	BBGE	
Cl[C@H]1COC[C@@H]1NCCn1cnnn1	712537768	IWWBSISDNZBMGW-BQBZGAKWSA-N	217.660	-0.731	50	10	BBGE	
COc1cc(CN(C)CC(=O)NN)sn1	722401863	ALSPFHQJIOLDTB-UHFFFAOYSA-N	230.293	-0.427	50	10	BBGE	
O=C(NNC(=O)C1(F)CC1)[C@H]1CCCO1	843895300	JYQYQXJVPAAQNF-ZCFIWIBFSA-N	216.212	-0.185	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=C[C@@H]1CC12CC2	863184314	WOILHEJEIZZGHS-ZETCQYMHSA-N	230.289	-0.067	50	10	BBGE	
COC1CC(NC(=O)c2ccc(B(O)O)cc2)C1	867386734	JMKYUTYAQJEXAL-UHFFFAOYSA-N	249.075	-0.726	50	10	BBGE	
CC(=O)NNC(=O)CCc1ccnn1C	1320366767	DSLUMQGTMAWDMU-UHFFFAOYSA-N	210.237	-0.480	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNC(=O)c1ncccn1	1451690504	SEKRCDIFTCBVDR-UHFFFAOYSA-N	246.230	-0.797	50	10	BBGE	
CCNC(=O)NNC(=O)c1csc(CO)n1	1542341943	BJDPVBZKJJXQSX-UHFFFAOYSA-N	244.276	-0.401	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(=O)cc[nH]1	1597671561	AZSHUPCOJXPJCD-UHFFFAOYSA-N	224.220	-0.661	50	10	BBGE	
CCCC(=O)NNC(=O)CN1CCN(C)CC1	1865759347	VQTWOCPIFGKWQO-UHFFFAOYSA-N	242.323	-0.819	50	10	BBGE	
COC(=O)CC1(C(=O)NN(C)C)CC1	1886113434	DXZCLSCWNFNHCH-UHFFFAOYSA-N	200.238	-0.078	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H](O)[C@H](O)C1	1887704821	RDNSRVNKHWBQNL-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
CSCCNC(=O)NCC=CB(O)O	1892925725	WSFBNZBBODLZLS-UHFFFAOYSA-N	218.087	-0.783	50	10	BBGE	
CO[C@@H]1CC(=O)N([C@H](C)CC(=O)NN)C1	1893865050	SLTQAHNQMHOQQZ-RNFRBKRXSA-N	215.253	-0.998	50	10	BBGE	
Cn1nnnc1N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1	1895641134	SDWATMMDFRKCAL-CSMHCCOUSA-N	243.698	-0.100	50	10	BBGE	
Cn1nnnc1N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1	1895641137	SDWATMMDFRKCAL-FXQIFTODSA-N	243.698	-0.100	50	10	BBGE	
CC(C)[C@@H](CO)N(C)CC1(C(=O)NN)CC1	1902166533	WKFPUFWHBUPDTF-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
CC[C@@](C)(CN(C)[C@H]1C[C@@H](O)C1)C(=O)NN	1902715593	IOXHAFLTGSZABZ-NGZCFLSTSA-N	229.324	-0.152	50	10	BBGE	
NCCC(CCN)NC(=O)[C@@H]1C[C@H]1Cl	1905124377	LQDFABRGHPUOOP-HTQZYQBOSA-N	219.716	-0.204	50	10	BBGE	
CCCN(CC(=O)NN)S(=O)(=O)CC	1913825589	KBWNSMBNQHJZOR-UHFFFAOYSA-N	223.298	-0.962	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914261796	IHSQTUKRRSHLBC-HLTSFMKQSA-N	215.297	-0.544	50	10	BBGE	
CN1CCN(C(=O)NC(=O)CCl)C[C@@H]1C#N	1914894372	GSBIIGDNQBEWIV-ZETCQYMHSA-N	244.682	-0.399	50	10	BBGE	
OB(O)c1ccc(CN2CC(F)(F)C2)c(F)c1	1917266025	DMZSJEBFIXFULQ-UHFFFAOYSA-N	245.009	-0.044	50	10	BBGE	
N#Cc1nccn1C[C@H]1C[C@H]1C(=O)NN	1927910095	CQUJTXNYSLJQOG-RNFRBKRXSA-N	205.221	-0.619	50	10	BBGE	
NNC(=O)C(=O)NC1(C(F)F)CCC1	1928790414	XKLUSUFNXUPISI-UHFFFAOYSA-N	207.180	-0.720	50	10	BBGE	
O=C(CCN1CCSC1=O)NNCCO	1929830368	JRUVGNLXTDWEBL-UHFFFAOYSA-N	233.293	-0.842	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CO)CC1	1931260639	RBGNATNHUBWEQG-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
CO[C@@H]1CCO[C@@H](CNC(=O)NN)C1	1933445725	PFFQINJSKLZDBX-RNFRBKRXSA-N	203.242	-0.647	50	10	BBGE	
COC1(CO)CN(CCOCCCl)C1	1935347286	MIKUWQQCOSZOTB-UHFFFAOYSA-N	223.700	-0.065	50	10	BBGE	
C#C[C@@H]1CCCN(CC(=O)NNC(C)=O)C1	1936513810	SLMXKJZAWFSODR-SNVBAGLBSA-N	223.276	-0.501	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]2OCC[C@H]2C1	1938636361	MKCHXMBZCKZGEN-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)SC1CN(CCOCC(=O)NN)C1	1939027811	NIIKQAPGUMTUNR-UHFFFAOYSA-N	247.364	-0.181	50	10	BBGE	
CCCN(CCOC)[C@H](COC)C(=O)NN	1939259999	VRFVVCZOARLALZ-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2[C@H](C1)[C@@H]2CO	1944548409	OQQMYPVAJMTPAQ-UKKRHICBSA-N	241.335	-0.439	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)C[C@@H]1O	1944568390	FKJOARNSNGMPCW-NZFPMDFQSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(=O)NC(C)(C)C1	1945293086	JELBTCIVXAVSNR-HTQZYQBOSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@@H](O3)C2=O)CC1	1945893802	RRIQWBFFHOMJRN-JGVFFNPUSA-N	239.275	-0.854	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(CC(F)(F)C(=O)NN)C2=O	1946986960	CGQVVQHINASCFU-NVNXEXLPSA-N	247.201	-0.993	50	10	BBGE	
Cn1ccnc1CN1CCC(B(O)O)CC1	1951322165	WTAIWRQFUGURFM-UHFFFAOYSA-N	223.085	-0.141	50	10	BBGE	
NC(=O)[C@@H]1CCN1C[C@@H](O)CBr	1953619102	ZOJSOBUHKLXMSI-WDSKDSINSA-N	237.097	-0.698	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1COC[C@@H]1O	1954504990	AEHXZHAFLQEAQC-XVMARJQXSA-N	207.657	-0.120	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@H](CO)[C@@H](C)O	1954508078	UUPHSLLDTCDZEC-FSDSQADBSA-N	209.673	-0.138	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@H]1Cn2cnnc2CN1	1955167177	HJXYPWJRLHLPAD-PHDIDXHHSA-N	214.656	-0.054	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](CO)[C@@H](O)C1	1957316020	ASNZMEIELKCKRV-FXQIFTODSA-N	221.684	-0.185	50	10	BBGE	
CCCN(C(=O)CCl)[C@@H]1CC(=O)NC1=O	1961460313	IAMYZOMAEZRGCZ-ZCFIWIBFSA-N	232.667	-0.121	50	10	BBGE	
C[C@@H](CN1CCP(C)(=O)CC1)C(=O)NN	1961527284	KNVQANKASTXACH-QMMMGPOBSA-N	233.252	-0.079	50	10	BBGE	
C=CC[C@H](C)Oc1ncncc1B(O)O	1961695573	GBQQARFNUQIHOG-ZETCQYMHSA-N	208.026	-0.500	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1C(F)F	1974583231	HNBPLAKBWKRWCX-PHDIDXHHSA-N	223.223	-0.669	50	10	BBGE	
CC(C)N1CC[C@@H](N(C)CCC(=O)NN)C1	1976575995	LZYIVNBAIAHJPY-SNVBAGLBSA-N	228.340	-0.219	50	10	BBGE	
CCOCC1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1979178893	DIVRRUOTEHMRJU-BDAKNGLRSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H](CF)C1	1981247316	GAHCJSITCKNZMU-VIFPVBQESA-N	233.287	-0.183	50	10	BBGE	
CCN(CC(F)F)c1ccc(B(O)O)cn1	1981408641	COZGGJLDUKFIDW-UHFFFAOYSA-N	230.023	-0.147	50	10	BBGE	
CCN(CCSC)c1ccncc1B(O)O	1981417156	XMIINQIIRDZULD-UHFFFAOYSA-N	240.137	-0.049	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H](C)C2CC2)n1	1981421879	GVZGHMXDQSKNDP-ZCFIWIBFSA-N	222.053	-0.358	50	10	BBGE	
Cc1ccn(-c2ncc(B(O)O)cc2F)n1	1981454643	NDODCXAZDQULCC-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
Cc1cc(N(C)CCCF)ncc1B(O)O	1981469380	RMDYZPQOFOEISW-UHFFFAOYSA-N	226.060	-0.134	50	10	BBGE	
COC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1C	1982501393	ZRBXGEIKWXQPAV-UTLUCORTSA-N	229.324	-0.173	50	10	BBGE	
O=C(NCC=CB(O)O)C1C2(CC2)C12CC2	1991326532	HTVVNKWVARYOTR-UHFFFAOYSA-N	221.065	-0.139	50	10	BBGE	
C[C@H](CN1C(=O)CC12CCOCC2)C(=O)NN	1996587664	ZAXPEELHECTRPS-MRVPVSSYSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(CCOCC(=O)NN)C1	1997256898	OTKMAVGJKXQKCH-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(CCCCC(=O)NN)C1	2000972025	MUZHTFDGDVKPDB-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](OC)C[C@@H]1CO	2002122871	HMIFMUOMEDPODF-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
CC(C)[C@H]1C(=O)NCCN1C[C@@H](C)C(=O)NN	2003814374	UYZVWKATDNHPIZ-BDAKNGLRSA-N	242.323	-0.931	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC1(C)C	2004916742	PGJHZVFETRSXBA-VIFPVBQESA-N	235.096	-0.219	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)C[C@H]2C)c1B(O)O	2004973694	YPBAMHKUTWIUMC-HTQZYQBOSA-N	235.096	-0.300	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2COC[C@H]2C1	2008872695	DCFQYVYVPOVILD-HTQZYQBOSA-N	249.261	-0.420	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(C[C@H](C)F)CC1	2015814862	JCEDOMOLGBXJRQ-UWVGGRQHSA-N	246.330	-0.270	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCN2CC[C@H]1C2	2017623663	RRYQIQRCPVKFOZ-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1OCC[C@@H]1F	2019213160	VGRLUFWXWRHGKF-DTWKUNHWSA-N	247.270	-0.788	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCC[C@@H]3C[C@H]32)nc1	2026059405	ICEBIJPCAZJJGX-SZEHBUNVSA-N	234.064	-0.276	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)C1(C2CC2)CC1	2040762299	BDBJRZBEKNTCBA-UHFFFAOYSA-N	247.063	-0.715	50	10	BBGE	
CN(C[C@H]1[C@H]2CCC[C@H]21)c1ncncc1B(O)O	2052467460	QWPYKCZHQKALSG-ILWJIGKKSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c1B(O)O	2053737239	WJBMCIZGPGRCPN-AXTSPUMRSA-N	245.091	-0.691	50	10	BBGE	
O=C(CN1CC=C[C@H]1CO)NNc1ccccn1	2056311335	ARJXSZMRTZYLTB-JTQLQIEISA-N	248.286	-0.243	50	10	BBGE	
COc1cc(Cl)c([N+](=O)[O-])c(B(O)O)c1	2060017889	HGKWMWNTCLQUSP-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
N#Cc1cc(Cl)c(C=O)cc1B(O)O	2060100911	SOKNOHMIGKOARU-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1nc(NC(=O)C2[C@@H](C)[C@@H]2C)ncc1B(O)O	2069485684	ZDGXGTOJNUCUQX-WDSKDSINSA-N	249.079	-0.695	50	10	BBGE	
O=C1CCC2(CN(C[C@H](O)CCl)C2)N1	2209948460	ZJBTUEGTVQCQNO-SSDOTTSWSA-N	218.684	-0.450	50	10	BBGE	
NNC(=O)N[C@@H](C(F)F)[C@H]1CCOC1	2210039031	GNBSATPKFIECMY-CRCLSJGQSA-N	209.196	-0.171	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210692305	XELHSTNQJFNATP-IWSPIJDZSA-N	233.287	-0.450	50	10	BBGE	
CC[C@@H](CNC)Oc1cc(B(O)O)ccn1	2212607113	FZQNRHQQFZLCEO-VIFPVBQESA-N	224.069	-0.862	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)C1CC1	2212612348	KFQAGEUGJABUMI-QMMMGPOBSA-N	220.081	-0.359	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H](O)C[C@@H](F)C1	2213884120	LWFMIWCZRGBLAY-NXEZZACHSA-N	247.314	-0.059	50	10	BBGE	
C[C@H]1CNCCN1Cc1cccc(B(O)O)c1	2214595426	LTOHEUZNSFPLFP-JTQLQIEISA-N	234.108	-0.840	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)CC1(C(=O)NN)CCC1	2216532065	JVIRMSRIIONDJI-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](OC(F)F)C1	2216785735	BCSWGMIEJPGFGY-XLPZGREQSA-N	249.261	-0.074	50	10	BBGE	
NCC1CC(COc2ccc(B(O)O)cn2)C1	2217168828	YLVCTSMGOLAFIA-UHFFFAOYSA-N	236.080	-0.875	50	10	BBGE	
CC(C)(C)[C@H](O)CNc1cc(B(O)O)ccn1	2217173953	VNQSEWRDPMVTFN-SECBINFHSA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@H]3C[C@H]32)[nH]c1	2217179192	HTWCJQGAAQWDNC-ATZCPNFKSA-N	232.092	-0.359	50	10	BBGE	
Cc1cnc(N[C@H]2CCN[C@@H]2C)cc1B(O)O	2217182961	FATVUZLVEMGLBU-SCZZXKLOSA-N	235.096	-0.768	50	10	BBGE	
C#C[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	2217196695	HVYWNWKEYKBKRR-SECBINFHSA-N	231.064	-0.994	50	10	BBGE	
OB(O)c1ccnc(N2CCOCC23CC3)c1	2217198301	ZJMYVJRRCBEPCU-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CC(C)OC(=O)CNc1cc(B(O)O)ccn1	2217198600	DFISXSLPMAJTQT-UHFFFAOYSA-N	238.052	-0.875	50	10	BBGE	
CN(c1cccnc1)c1cc(B(O)O)ccn1	2217200827	MIDWZDMLRCVDBL-UHFFFAOYSA-N	229.048	-0.076	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCCC[C@H]21	2217329037	DOZZCNAWQQCCBG-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
OC[C@]12C[C@H]1CC[C@@H]2Nc1cc(B(O)O)ccn1	2223632231	HHANSVCSVRANSG-UBHAPETDSA-N	248.091	-0.666	50	10	BBGE	
C#CCCN(CCOC)c1ncccc1B(O)O	2223637622	GKYLXZDBBTZHEK-UHFFFAOYSA-N	248.091	-0.763	50	10	BBGE	
Cc1ncc(CNc2cc(B(O)O)c(C)cn2)[nH]1	2223643586	XPNZEVHLSXDNRV-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CCC2(CC2)C1	2224027495	XTRYJEVMVIEGEG-SECBINFHSA-N	248.091	-0.497	50	10	BBGE	
O=C(N[C@@H]1C[C@@]12CCOC2)C1(B(O)O)CC1	2243358687	JHAZMVSFXCIJSZ-VXNVDRBHSA-N	225.053	-0.711	50	10	BBGE	
Cc1nc(C(=O)NC[C@@H](C)F)c(B(O)O)s1	2243361378	AJQATKPJSUJOQY-SCSAIBSYSA-N	246.072	-0.781	50	10	BBGE	
O=C(O)CCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243419691	FBYJVLYZWYNNSI-LJGSYFOKSA-N	229.041	-0.780	50	10	BBGE	
CN(C)C1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243426879	NDXKZEOQKVGBGY-YUMQZZPRSA-N	226.085	-0.988	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cscc1B(O)O	2244148515	QWGUPFKXTUTCIR-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
O=C(NCCC#CB(O)O)N1CC(F)(F)C1	2244539426	IHDGWDCXNJMCRQ-UHFFFAOYSA-N	231.995	-0.948	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCCC1=O	2247737912	LSYPWEXUAZWTKN-UHFFFAOYSA-N	237.020	-0.970	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1cc(B(O)O)c[nH]1)C2	2247743667	HJENZNVMSBKLLL-CPCISQLKSA-N	234.064	-0.824	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2247785024	FAAZFIJAOQTNPP-XVKPBYJWSA-N	237.068	-0.992	50	10	BBGE	
O=C(NCc1ccncn1)[C@H]1C[C@H](B(O)O)C1	2247803667	CEZHSUNQVNLBRK-ZKCHVHJHSA-N	235.052	-0.654	50	10	BBGE	
CC(C)N1CC(NC(=O)C2CC(B(O)O)C2)C1	2247807983	JODBRRPOFOXQTQ-UHFFFAOYSA-N	240.112	-0.552	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@@H]2CCC(F)(F)[C@H]2C1	2247846825	MSVLIHCJFZIQOH-YUMQZZPRSA-N	243.018	-0.495	50	10	BBGE	
COCC[C@H](C)NC(=O)c1ccoc1B(O)O	2247867045	XLDSZEAEZAWJKT-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CC(C)C2)c1	2247874988	RGHNTZWJXYBLDF-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
CC1(C)CNCC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2247887945	UCFCCDOUTJGZCZ-CIUDSAMLSA-N	240.112	-0.646	50	10	BBGE	
CC(C)(CC(=O)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2248573778	JNMLHRABLLVMLL-LJGSYFOKSA-N	243.068	-0.391	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]1B(O)O	2248574625	BZHIAKNOUHCCLI-KVPKETBZSA-N	241.052	-0.781	50	10	BBGE	
NCCCC1(Oc2ccc(B(O)O)cn2)CC1	2249267518	UPBRDVUHONOKRX-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CCC[C@H]21	2249419173	DDLKIKUKBFXOOT-OIBJUYFYSA-N	235.048	-0.416	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2CC(C2)C1	2249433888	RUTKINQAUJTHEH-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1cocc1B(O)O	2249441362	XEQMCNIDPFCVBC-GMSGAONNSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](NC(=O)C1(B(O)O)CC1)C2	2249644078	BEGMGHQLIRCUAC-NRPADANISA-N	239.080	-0.323	50	10	BBGE	
Cc1cc(CNC(=O)C2(B(O)O)CCC2)ncn1	2255460165	QMJPRNXAKJLMPU-UHFFFAOYSA-N	249.079	-0.202	50	10	BBGE	
Cc1ccc2n1CCN(C(=O)C#CB(O)O)[C@H]2C	2255469509	PZYGMUALUADNRW-JTQLQIEISA-N	246.075	-0.285	50	10	BBGE	
C=CC=CCCNC(=O)c1ncc(B(O)O)cn1	2255476599	NDSGAIKJQWHHPR-UHFFFAOYSA-N	247.063	-0.982	50	10	BBGE	
Cc1cc(C(=O)NC2[C@@H]3CC[C@@H]23)ccc1B(O)O	2255511928	RDZYUQWIUAKSGL-NXEZZACHSA-N	245.087	-0.187	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCn2ccnc2C1	2255557347	DBLXLIROEVZVFZ-DTORHVGOSA-N	249.079	-0.522	50	10	BBGE	
O=C(N[C@@H]1CCC2(CC2)C1)c1cc(B(O)O)c[nH]1	2255670772	IJOCAZDMPLTWQI-SECBINFHSA-N	248.091	-0.243	50	10	BBGE	
C=CCN(CCC)C(=O)c1cncc(B(O)O)c1	2255722932	VUQWLQDZDGMRJX-UHFFFAOYSA-N	248.091	-0.200	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1nccnc1B(O)O	2256068543	BZEPNQAUURTPDE-JGVFFNPUSA-N	249.079	-0.925	50	10	BBGE	
Cc1ncc(NC(=O)c2cc(B(O)O)co2)cn1	2258123728	SJKSKAVYDIVRMT-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC1(C)[C@H]2C[C@@H]2CN1C(=O)c1cocc1B(O)O	2258125845	AXDXNVSXHRJNGP-APPZFPTMSA-N	249.075	-0.170	50	10	BBGE	
NNC(=O)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CO	2298234269	PKQAADVGBKZXAQ-YIZRAAEISA-N	241.291	-0.872	50	10	BBGE	
COCC1(O)CN([C@@H](C)CCCC(=O)NN)C1	2302048916	BRCHTOTUUFHDCD-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CC1(C)OCCO[C@@H]1CN1CC[C@@H](B(O)O)C1	2303155211	OWUJVUSSHQJRFB-NXEZZACHSA-N	243.112	-0.271	50	10	BBGE	
OB(O)c1cnccc1OCC1=CCCOC1	2307397652	HKXHSCUMFJHKMA-UHFFFAOYSA-N	235.048	-0.513	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3ccc(B(O)O)o3)[C@@H]1C2	2312848248	ZWBODMQKEAODKW-UBJUHAIHSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H](N)C1CC1	2317208923	MWIKASAAHKYNQZ-LLVKDONJSA-N	246.075	-0.646	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1Nc1ncccc1B(O)O	2321009713	UTQOFGXMIBFWHE-KOLCDFICSA-N	248.091	-0.236	50	10	BBGE	
COC(CN/C=C(/C=O)[N+](=O)[O-])OC	59052385	RRBGSAFYAREMCD-UTCJRWHESA-N	204.182	-0.488	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](C)OC[C@H]1C	82467591	WOJSJIVOOUGDIY-PRJMDXOYSA-N	201.270	-0.526	50	10	BBGE	
C[C@H](CC(=O)NN)n1cc([N+](=O)[O-])cn1	82468323	RCAFBVCNJMAQJB-RXMQYKEDSA-N	213.197	-0.268	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)CBr	82510954	AXJJSUMAFUDKHA-BYPYZUCNSA-N	223.070	-0.368	50	10	BBGE	
COC[C@H](Cl)CNc1nnnn1C	83205691	GPHDDTKBGVKKSP-RXMQYKEDSA-N	205.649	-0.124	50	10	BBGE	
CCOCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	87979995	XBBMZNZFWDFJNO-BDAKNGLRSA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CC(N)=O)C1CCCC1	104111913	YXRVGJKUWDYJCW-QMMMGPOBSA-N	242.323	-0.515	50	10	BBGE	
N[C@H](CCl)C(=O)N[C@@H](CCl)C(=O)O	111456960	VFVOOLWBPFEFKL-DMTCNVIQSA-N	229.063	-0.639	50	10	BBGE	
CC(C)(CN1C(=O)[C@@H]2C[C@H]2C1=O)C(=O)NN	118836130	WLVIBUWLHLXFNH-PHDIDXHHSA-N	225.248	-0.993	50	10	BBGE	
Cn1cc(OCCCCC(=O)NN)cn1	161338786	NSUBXDMDAOYVRH-UHFFFAOYSA-N	212.253	-0.041	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)CN(C)C	172160174	NQDPGSCQZHHQLW-UHFFFAOYSA-N	217.269	-0.880	50	10	BBGE	
COC(=O)[C@H](O)[C@H](O)CBr	221201793	SWGXSCUMJHOWMV-QWWZWVQMSA-N	213.027	-0.724	50	10	BBGE	
CNc1ccc(B(O)O)c(C(F)(F)F)n1	238330685	KZHHKXNCEQRLLO-UHFFFAOYSA-N	219.959	-0.178	50	10	BBGE	
NNC(=O)c1ccc2cnc(O)nc2c1	238567133	HYEOOGNDUZSERQ-UHFFFAOYSA-N	204.189	-0.061	50	10	BBGE	
O=Cc1cnc(Br)cc1B(O)O	238615643	MZMMTZVLQCFOAX-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
C#CC(=O)OC[C@@H](O)CBr	238722892	ORDVCRUARKELNJ-YFKPBYRVSA-N	207.023	-0.081	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CCOC1	251023398	DQILNYFMLNLHBI-YIZRAAEISA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2[C@@H](CCCN2C)C1	251528684	DILCNQVFANRJKE-VWYCJHECSA-N	240.351	-0.219	50	10	BBGE	
NC(=O)NNC(=O)/C=C1\CCCCC1=O	308676877	QOJLADUYZGQMMS-AATRIKPKSA-N	211.221	-0.245	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]2[C@@H]1B(O)O	310253158	XFEHKJZBALGSSC-JQCXWYLXSA-N	240.112	-0.781	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]2(CCN(C)C2)C1	310517752	MVRHAMNFKGEKIX-PWSUYJOCSA-N	240.351	-0.218	50	10	BBGE	
CN(C)NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2	382180737	OFSDOLJGODLRGI-WCTZXXKLSA-N	228.248	-0.543	50	10	BBGE	
CC(C)[C@@H]1C(=O)CC(=NNC(N)=O)C1=O	383978541	UNPXUFHFZFGCIH-SSDOTTSWSA-N	211.221	-0.175	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)c([N+](=O)[O-])c1	396055642	KHTLYOFDJZNSKJ-UHFFFAOYSA-N	222.993	-0.594	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(B(O)O)cc1C=O	396062821	XAZNZTDBTRIIIY-LURJTMIESA-N	240.451	-0.011	50	10	BBGE	
NNc1c(B(O)O)cccc1C(F)(F)F	396093594	IIGJQVSIBMRNKX-UHFFFAOYSA-N	219.959	-0.329	50	10	BBGE	
CCOc1cc(CCC(=O)O)ccc1B(O)O	396110282	PFPAMQPILISRBE-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
COC(=O)CCc1ccc(CC#N)c(B(O)O)c1	396140744	XFIVELBSNYLGCT-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
O=C(O)c1c(O)cc2sccc2c1B(O)O	396376850	FMULMSBUKROWAC-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1CCOC1	398860673	XOQFYZWPOVOXMQ-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1=O	399648993	ZBXPTZHMNKNAHE-HRDYMLBCSA-N	241.291	-0.608	50	10	BBGE	
C[C@@]1(C(=O)Nc2cc(B(O)O)ccn2)C[C@H]1F	404979312	MLLLRRUOTIVFCH-GMSGAONNSA-N	238.027	-0.552	50	10	BBGE	
Cc1cc(NC(=O)CN(C)C)ccc1B(O)O	404987615	QEHSMXUJJYJNBR-UHFFFAOYSA-N	236.080	-0.825	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1=COCCO1	405010622	POVAHXYQWFTCKZ-UHFFFAOYSA-N	249.031	-0.807	50	10	BBGE	
Cn1nnnc1C#CCBr	575472224	GZZIWQISYWITCX-UHFFFAOYSA-N	201.027	-0.044	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@@H](C)C(=O)NN	688154267	AIKICNCWOUXKDD-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)c(B(O)O)c1	690066751	NJFLFVBQSFQMMM-GXSJLCMTSA-N	249.075	-0.352	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H](O)C1CC1	690154163	BILLOZHKIIDTSR-MRVPVSSYSA-N	201.270	-0.931	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cn(C)nn1	690439977	OITXQJCFCAHXTP-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCSCC1	692310107	ISVARQRPIYSQSQ-SSDOTTSWSA-N	231.321	-0.280	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@]12CCC[C@@H]1C2	693142243	VETSRZBDOBTISR-PELKAZGASA-N	246.075	-0.110	50	10	BBGE	
N#Cc1ccc(F)c(Cn2cc(B(O)O)cn2)c1	694500090	GVIGXLMTVHGDJB-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CN1CC[C@@](O)(CNC(=O)OCCl)C1	702548133	GKUUHOPVYXTRGJ-MRVPVSSYSA-N	222.672	-0.025	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cnccn1	704121307	BLPJRLMRXNNJNQ-DTWKUNHWSA-N	237.307	-0.077	50	10	BBGE	
Cc1cnccc1Cn1nc(C)c(B(O)O)c1C	705337893	VMUGBQIEQJPOOV-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CCCC[C@@H]21	706760037	PGTRIJYGFABNIX-LPEHRKFASA-N	227.308	-0.134	50	10	BBGE	
Nc1nc(CCl)nc(N[C@@H]2CCNC2=O)n1	710373636	OJMFXLXKPDXEKK-SCSAIBSYSA-N	242.670	-0.507	50	10	BBGE	
C[C@H](CN(C)Cc1ncccn1)C(=O)NN	718909447	KWKJIOHCNPKSOH-MRVPVSSYSA-N	223.280	-0.466	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@]1(C)CO	723049062	RDZUYVNXOHNKJG-SNVBAGLBSA-N	229.280	-1.000	50	10	BBGE	
CCOC(=O)/C(C#N)=C/NC1COCCOC1	793671986	FHWBNILBXVZFHX-RMKNXTFCSA-N	240.259	-0.038	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(C)C1=O	823918314	UVQGOJKPFUYGIL-IUCAKERBSA-N	243.307	-0.801	50	10	BBGE	
CC(C)OC(=O)NNC(=O)C(C)(C)C(N)=O	844150700	ULRBCOGGLMBWJP-UHFFFAOYSA-N	231.252	-0.336	50	10	BBGE	
Cn1nnc(C(=O)NCC(Cl)Cl)n1	879977569	XWHNJYNCXHOUFT-UHFFFAOYSA-N	224.051	-0.256	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)N(C)C	900427418	KEGSTAPEDAPREG-OVCGOVNKSA-N	201.226	-0.774	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C=O)cn1C	1136416150	CXUDMLMOWZPELK-UHFFFAOYSA-N	238.247	-0.199	50	10	BBGE	
Cc1c[nH]cc(C(=O)NNc2nc[nH]n2)c1=O	1161431297	BOTRYXZWPOTDHD-UHFFFAOYSA-N	234.219	-0.442	50	10	BBGE	
O=C(CO)NNC(=O)CCCC(=O)C1CC1	1183079034	VXBOKXWCVYCACW-UHFFFAOYSA-N	228.248	-0.725	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)Nn2ccnn2)cn1	1449978424	NGSLWFXQAIPVOA-RUDMXATFSA-N	243.230	-0.311	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(C)[C@H](C)CO	1631070584	JFFFPTYEISFMJP-SECBINFHSA-N	244.291	-0.160	50	10	BBGE	
O[C@H](CCl)CN1C[C@H]2[C@@H](O)C[C@H]2C1	1878210970	GANMVLLCTFHDHK-KDXUFGMBSA-N	205.685	-0.101	50	10	BBGE	
O=C(CCl)NCc1cc(CO)n[nH]1	1881743895	CIGQBZXEXVNSDP-UHFFFAOYSA-N	203.629	-0.243	50	10	BBGE	
O=S(=O)(c1nc[nH]n1)N1CC[C@H](Cl)C1	1885226104	JRLQCITXKMHOQV-YFKPBYRVSA-N	236.684	-0.194	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@H]1[C@@H](O)CO	1885362675	CHCIPVPBUXCINV-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@H](N)CS(C)(=O)=O	1886387864	RJSAMGARAXWZDB-RFZPGFLSSA-N	213.686	-0.445	50	10	BBGE	
O=C(NC[C@@H]1CNC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893454469	XDQZMRDCNWJJRB-OSMVPFSASA-N	218.684	-0.690	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)/C=C/C(=O)Cl	1893504038	BNTUKRVZMAZPJW-YRFDSLTASA-N	220.656	-0.914	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@H]1CF	1896036878	KECMGHKPHBCCLP-DJLDLDEBSA-N	231.271	-0.717	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1C[C@H]1C[C@H]1Cl	1899711206	ZUVBJMKIGXAQDV-OKNNCHMLSA-N	221.684	-0.988	50	10	BBGE	
CC(F)(F)CCCC(=O)NCB(O)O	1901152350	WQJPFPGXLVRZJB-UHFFFAOYSA-N	209.001	-0.060	50	10	BBGE	
CSC[C@@H]1CCCN1CC(=O)NNC(C)=O	1903453459	MJMGUMKJYAHOBN-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC1(O)CCC1	1914572393	ZNCFWTNHBWMLHW-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926423576	YYIHTCHGFJOHTA-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2C[C@@H]2C1=O	1927915447	HBWRXOCMZHMNCL-HSNKUXOKSA-N	209.249	-0.909	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCn1cnnn1	1928857777	RDWQAVWKSMSILI-LURJTMIESA-N	217.660	-0.336	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2OCCO[C@H]2C1	1930246473	CTKONOBGXNDMKZ-BQBZGAKWSA-N	241.696	-0.388	50	10	BBGE	
O=C(CCCl)N1CC(OCCO)C1	1932099907	VOFOQRYOBCCPFB-UHFFFAOYSA-N	207.657	-0.165	50	10	BBGE	
CC1(C)[C@H](C(=O)NNCCO)C1(F)F	1933069655	HVMFEIBATMVACU-YFKPBYRVSA-N	208.208	-0.109	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]1C(F)(F)F	1935125685	CFEOYOYSSOPSQW-RFZPGFLSSA-N	212.171	-0.202	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C(=O)[C@@H]1C	1938233252	PAWAOXAYYNIADI-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@H]1C[C@H]1C(=O)NN	1941087204	LYZCRWGHKIHWIJ-GHMZBOCLSA-N	240.351	-0.504	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCCNC(=O)CC1	1941630298	BKIMKPGUESHXGG-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1CC1(F)F	1942459194	SYUVPZUNBQCAOF-ZCFIWIBFSA-N	241.990	-0.645	50	10	BBGE	
CN(C)C(=O)O[C@H]1CCCN(CC(=O)NN)C1	1942662840	OGLBPAZXGAWIIN-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@]12COC[C@H]1C2	1951320194	FZJKKMKDFJLJFK-KHQFGBGNSA-N	225.053	-0.902	50	10	BBGE	
COc1ncc(C[C@@H](O)C#N)c(OC)n1	1952214911	TZXWIDKDUOYSGI-SSDOTTSWSA-N	209.205	-0.079	50	10	BBGE	
COC(=O)c1cc(C[C@@H](O)C#N)n(C)n1	1952221437	CGQSDJJRZFUIIN-SSDOTTSWSA-N	209.205	-0.366	50	10	BBGE	
CC1(C)[C@H]([C@@H](N)[C@H](O)C#N)CCS1(=O)=O	1953053483	WAHLKUHNTSCRPS-XLPZGREQSA-N	232.305	-0.589	50	10	BBGE	
Cn1nnnc1CN[C@@H]1C[C@H]1CCl	1954309357	FSRZVTHVYXTGKA-NTSWFWBYSA-N	201.661	-0.073	50	10	BBGE	
COC(=O)c1nc(C(=O)NN)cs1	1954396428	DTZPMLZSUSXWFG-UHFFFAOYSA-N	201.207	-0.467	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CC2(CCC2)CO1	1957631708	UAHVGTBXGGWVIM-ZCFIWIBFSA-N	213.237	-0.355	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](F)C[C@@H]1C	1958676484	IDHPHFUCSDUVLZ-BIIVOSGPSA-N	219.260	-0.576	50	10	BBGE	
CC[C@H](O)CN(CCC(=O)NN)C1CC1	1959802807	AJKZGNKTLHSNCK-VIFPVBQESA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)N1CC[C@@](CO)(C(F)(F)F)C1	1960696052	SACFPHFYGNIEMX-ZCFIWIBFSA-N	227.186	-0.184	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@@H]2C1	1961694189	KZEXWDPXNPNOFU-HTQZYQBOSA-N	204.038	-0.783	50	10	BBGE	
OB(O)c1cnccc1S[C@@H]1CCOC1	1961707635	IKAWTDAHJWPEMZ-SSDOTTSWSA-N	225.078	-0.358	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3C[C@H]3C2)n1	1961718174	LAKGXSLMUZFIPK-RQJHMYQMSA-N	224.094	-0.331	50	10	BBGE	
C#CCN(CCCl)S(=O)(=O)c1nc[nH]n1	1975223555	UBSIKYPFZJEBLT-UHFFFAOYSA-N	248.695	-0.333	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1976088309	WIXCNWQAJAANMG-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
CN(C(=O)NN)[C@H]1CCC[C@@H](S(C)(=O)=O)C1	1976862623	LZCLRKIQWUZPCR-JGVFFNPUSA-N	249.336	-0.143	50	10	BBGE	
CCC1(C(=O)N[C@H](CB(O)O)C(=O)O)CC1	1976991668	OUAIOBQFQOLEDI-ZCFIWIBFSA-N	229.041	-0.781	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)[C@@H](C)C1	1977147968	XPKPCQZOTQGPHS-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CCCC1CN(c2ccc(B(O)O)cn2)C1	1981409553	OJEHRCIZLIKPOW-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]3C2)n1	1981445493	JQGHVNAWMSEIBM-DTORHVGOSA-N	218.065	-0.474	50	10	BBGE	
COC[C@@H]1CN([C@H](C)CC(=O)NN)C[C@@H]1C	1982498647	UPVLKBKHOFYVGW-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](OC[C@@H]1COC(C)(C)CO1)C(=O)NN	1984655178	LCWOZGOFWHPURX-HTQZYQBOSA-N	232.280	-0.425	50	10	BBGE	
CN(C[C@H]1CC[C@@H](C(=O)NN)C1)S(C)(=O)=O	1985352748	XWHFEIMFNBCFDK-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](F)C[C@@H](F)C1	1985766938	JDMMVDXVWGJFBR-OLQVQODUSA-N	243.204	-0.007	50	10	BBGE	
C=C(CN1CC[C@@H]2OCCO[C@@H]2C1)B(O)O	1992168254	XOGRLHSTOSIERQ-VHSXEESVSA-N	227.069	-0.956	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1[C@@H]2COC[C@H]1C2	1992319968	CKPCENRZNDRDRX-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)C(F)(F)CN1O[C@H]2C=C[C@H]1CC2	1992327354	YSCOTIHRQHGHAI-BQBZGAKWSA-N	233.218	-0.054	50	10	BBGE	
CN(CP(C)(C)=O)c1ncncc1B(O)O	1992349095	WHVYEYNEUNEQRA-UHFFFAOYSA-N	243.012	-0.827	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@](F)(CO)C1	1995937065	GESXSENPYNGISI-KOLCDFICSA-N	247.314	-0.059	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](OCCOC)C1	1996764707	KLSFKMPVYIJUOS-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H](CN1CCOCCC12COC2)C(=O)NN	2001490950	RDVIRDFEDVVCNZ-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@@H](O)C[C@@H]21	2001967678	RKNXQAFTAYBYGU-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
Cc1ccnc(O[C@@H]2CCCOC2)c1B(O)O	2004928750	GBUORGMARYHCEA-SECBINFHSA-N	237.064	-0.372	50	10	BBGE	
NNC(=O)C(F)(F)Oc1cncc(C(N)=O)c1	2007700886	OCASUTAXXBJTFF-UHFFFAOYSA-N	246.173	-0.858	50	10	BBGE	
CO[C@H]1C[C@H](CF)N(CC(=O)NNC(C)=O)C1	2019178138	AXVLTQPDKANZPV-BDAKNGLRSA-N	247.270	-0.788	50	10	BBGE	
CO[C@H](C)CN(CC(=O)NNC(C)=O)C(C)C	2019210404	HDXWVTFZLBDMBQ-SECBINFHSA-N	245.323	-0.101	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12	2020061882	LTFGUAPLZBCMME-ZOZBQHSOSA-N	237.064	-0.906	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCCC[C@@H]2F)nc1	2020493188	IXXPVDUCTGSKGZ-DTWKUNHWSA-N	240.043	-0.184	50	10	BBGE	
Cn1ncc(C(=O)NN)c1Cn1ccc(=O)cc1	2050241408	INVLTNIRGXVDFU-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1CCc2cccc(B(O)O)c21	2055629656	BFLGYBMRTLTTHG-WPRPVWTQSA-N	249.050	-0.387	50	10	BBGE	
CCOc1c(B(O)O)ccc(C=O)c1C	2060141427	MTFBJIJUKCVVHJ-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCN([C@H]1CCC[C@@H]1O)[C@H](C)CC(=O)NN	2210163886	HFDDQLULUDIPLC-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
N#CC1CN(Cc2cccc(B(O)O)c2)C1	2211136679	YSMLOPGHMBZDRN-UHFFFAOYSA-N	216.049	-0.678	50	10	BBGE	
CN(C)NC(=O)c1ccc(B(O)O)cc1Cl	2211726910	JVOXUXHFMNNULY-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
COc1ncc(CN(C)[C@H](C)C(=O)NN)s1	2212569224	FDBHRNOIIPOBER-ZCFIWIBFSA-N	244.320	-0.038	50	10	BBGE	
Cc1cnc(N[C@H]2CCOC2)cc1B(O)O	2212605427	DPLKPFQNNKEPQJ-QMMMGPOBSA-N	222.053	-0.729	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCCC2)C1=O	2216863878	NREZKWUJXLQBQE-UHFFFAOYSA-N	240.307	-0.096	50	10	BBGE	
CN(C)C1CN(CC2(C(=O)NN)CCCC2)C1	2216872064	QYQCYPPQSBKZSS-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
CN(CCC(N)=O)CC1(C(=O)NN)CCCC1	2216872317	RRICCBDDAWZVRK-UHFFFAOYSA-N	242.323	-0.656	50	10	BBGE	
C[C@@H]1CC[C@@H](Oc2ccc(B(O)O)cn2)CN1	2217179158	HFLBKRPHDIXZRA-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217182164	ZYYISEQBOJOYTJ-SCZZXKLOSA-N	236.080	-0.483	50	10	BBGE	
CC(C)C[C@H](N)COc1ccc(B(O)O)cn1	2217182931	DTDPXVJBXCLQFG-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
CNCCCCOc1cc(B(O)O)c(C)cn1	2217183120	FUOYPTPDNVMEND-UHFFFAOYSA-N	238.096	-0.552	50	10	BBGE	
NC1(CCOc2nccc(B(O)O)c2F)CC1	2217187276	VUIGWKYQWFBEJV-UHFFFAOYSA-N	240.043	-0.839	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COC2(COC2)C1	2241848048	YOFXEQCJSBFVRU-ZCFIWIBFSA-N	241.696	-0.340	50	10	BBGE	
NC(=S)NNC(=O)c1cnnc(Cl)c1	2242224487	DIPMWVXCNNZIAI-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC2(CC2)C1	2243362122	MNAZJZPCTXYHPU-SECBINFHSA-N	221.065	-0.207	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C(=O)C#CB(O)O)[C@@H](C)O1	2243362925	YMCGCEULPBRLBR-HLTSFMKQSA-N	225.053	-0.974	50	10	BBGE	
O=C(NC[C@H](CO)C1CC1)C1(B(O)O)CC1	2243365602	OUUSQWXEQCEWLF-MRVPVSSYSA-N	227.069	-0.872	50	10	BBGE	
C[C@H]1COC[C@H](C)N1C(=O)C1(B(O)O)CC1	2243365774	RYCSCHRRGXOBEP-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
O=C(NOCC1(F)CCC1)[C@@H]1C[C@@H]1B(O)O	2243383448	YDMCESSEJUUMRL-RQJHMYQMSA-N	231.032	-0.211	50	10	BBGE	
C[C@]1(N)CCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2243391290	IULBVICOHZLMBO-XKSSXDPKSA-N	226.085	-0.811	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]o1	2243392207	RZJNVKDANZDHIT-LJGSYFOKSA-N	224.025	-0.404	50	10	BBGE	
CC[C@H](CCNC(=O)C#CB(O)O)COC	2243401152	MYCBLRGXZOSTIR-SECBINFHSA-N	227.069	-0.819	50	10	BBGE	
CC[C@]1(C)C[C@H](NC(=O)C#CB(O)O)CO1	2243403653	AQFMIQUCGGKGPU-WCBMZHEXSA-N	225.053	-0.924	50	10	BBGE	
Cn1ncc(C(=O)OC(C)(C)C)c1B(O)O	2243453808	RGXPYXWQAVGBLJ-UHFFFAOYSA-N	226.041	-0.945	50	10	BBGE	
C[C@H](CCN)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243701538	DUHNASXVKAAPSS-VGMNWLOBSA-N	228.101	-0.660	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2244205508	KELWTYRXLXDAEB-POYBYMJQSA-N	223.037	-0.512	50	10	BBGE	
O=C(NC1[C@@H]2CC[C@@H]12)c1cocc1B(O)O	2244213925	LJMIOSGNTAFVAY-PHDIDXHHSA-N	221.021	-0.902	50	10	BBGE	
COC[C@@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245913477	RUISRDXUEHQGCA-ZCFIWIBFSA-N	244.487	-0.138	50	10	BBGE	
CO[C@H](C)CN(C)C(=O)c1coc(B(O)O)c1	2247734618	UOTNVOKGKASSEX-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1ccc(B(O)O)o1	2247741813	GGSUIWDIRZUWPG-ZETCQYMHSA-N	235.048	-0.511	50	10	BBGE	
CCN(CCOC)C(=O)c1ccc(B(O)O)o1	2247742585	QSWIIHATLGNAHJ-UHFFFAOYSA-N	241.052	-0.932	50	10	BBGE	
O=C(NC[C@]12CNC[C@@H]1C2)C1(B(O)O)CCC1	2247750709	NBZTXBXHGVBWFY-WPRPVWTQSA-N	238.096	-0.891	50	10	BBGE	
C#CC#CCNC(=O)c1cc(B(O)O)c(C)s1	2247786396	AABPDMJNVQLSAH-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
N[C@@H]1CC[C@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247797305	IKHNRRJEFKUBMK-DOLQZWNJSA-N	240.112	-0.517	50	10	BBGE	
CCN1CCC(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247804025	DTAOISUPPQUXAI-ZJUUUORDSA-N	240.112	-0.550	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C	2247809181	YDCALOXJMAFNAV-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2ccoc2B(O)O)C1(F)F	2247847154	SFHZRHMAQWEZAC-NJGYIYPDSA-N	244.990	-0.657	50	10	BBGE	
CCC1(N(C)C(=O)c2ccc(B(O)O)o2)CC1	2247850119	KCEPOYXMYHKHNO-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247898750	HKUVDOMVABSFOF-UTINFBMNSA-N	240.112	-0.600	50	10	BBGE	
O=C(N[C@]1(CF)CCNC1)C1CC(B(O)O)C1	2247901849	ATGBRWVQRAWKIY-KTOWXAHTSA-N	244.075	-0.943	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902446	FMZLRKREZDJBKA-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
CC(C)N(C)C(=O)c1cc(B(O)O)ccc1O	2248028527	LAENNEKOHZDWTB-UHFFFAOYSA-N	237.064	-0.448	50	10	BBGE	
C=CC(=O)N1CCCc2cc(B(O)O)ccc21	2248416847	ZMQJRTHTVVVVHG-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C[C@H]1C[C@H](C(=O)O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580471	YNXPOEVYRCBAFH-RULNZFCNSA-N	241.052	-0.687	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)cn1	2249301008	FWKFLQZMMBZBLQ-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1F)c1cocc1B(O)O	2249411042	PRFMMJBWZARCOH-RKDXNWHRSA-N	241.027	-0.420	50	10	BBGE	
C[C@H]1CN(C(=O)c2cocc2B(O)O)C[C@@H]1C	2249415799	IZXCMENGPKKHOG-YUMQZZPRSA-N	237.064	-0.313	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)NCCC#CB(O)O	2249987028	XUDJIBKXWHMTIE-SNVBAGLBSA-N	238.096	-0.024	50	10	BBGE	
CCC(CC)ONC(=O)c1cc(B(O)O)c[nH]1	2250170475	WMRKUHNTGMQUTM-UHFFFAOYSA-N	240.068	-0.456	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@@H]3C[C@H]32)n1	2254694694	BWTXNMPSXAXPBR-PSASIEDQSA-N	248.091	-0.241	50	10	BBGE	
Cc1cccc(NC(=O)c2coc(B(O)O)c2)n1	2255457152	YQNCTGKYRPVWAZ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255521895	CIDLCNHENUSMRA-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
C[C@H]1CCC=C[C@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255550215	WSNGRBHDNZCUAJ-JGVFFNPUSA-N	249.079	-0.826	50	10	BBGE	
C[C@H]1CCC=C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2255550218	WSNGRBHDNZCUAJ-YUMQZZPRSA-N	249.079	-0.826	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CCC[C@@H]1C1CC1	2255552512	MFMAOKFPHFZQQL-SECBINFHSA-N	249.079	-0.896	50	10	BBGE	
C=CCN(C(=O)c1ccc(B(O)O)cn1)C1CC1	2255717823	PHSRKINJCKJYJZ-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1cncc(B(O)O)c1	2255736992	XRFVMPVDQCEMBA-VROVMSAKSA-N	248.091	-0.607	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2255737227	BJUOJKOJCFQXRM-JIOCBJNQSA-N	247.059	-0.560	50	10	BBGE	
C#CC[C@H](C)C(=O)NCc1cccc(B(O)O)c1	2256666217	RAXDTIQMYURNJY-JTQLQIEISA-N	245.087	-0.358	50	10	BBGE	
C[C@@H]1CNCC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368462	GIKWPXIWEUMOCR-JLIMGVALSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2CC[C@H]1O2)[C@H]1C[C@H]1B(O)O	2298368765	WORWAKXZMLJBEU-GENCIFFESA-N	239.080	-0.325	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2298371293	GVTFXOFSXAIMPS-VVULQXIFSA-N	239.080	-0.467	50	10	BBGE	
O=C(C#CB(O)O)N1Cc2cc(F)cnc2C1	2300135267	PUBVVOBWFRAPJD-UHFFFAOYSA-N	233.995	-0.922	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1[C@@H]2COC[C@H]1C2	2300405061	YNOVLERNJZWYGS-UKKRHICBSA-N	239.319	-0.134	50	10	BBGE	
CCOCCOc1ccc(B(O)O)cc1C#N	2301373414	XUJSNSVKBFAPIH-UHFFFAOYSA-N	235.048	-0.347	50	10	BBGE	
CC[C@@](C)(CN1CCN(C)CC1=O)C(=O)NN	2303437514	JQIZDAUNEAWLBH-NSHDSACASA-N	242.323	-0.833	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2303766137	ZCSCXGRKPMYRTP-SFYZADRCSA-N	241.096	-0.077	50	10	BBGE	
N[C@H]1CCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303847369	ICBKKANTCADXCN-IUCAKERBSA-N	239.059	-0.808	50	10	BBGE	
C[C@H]1C[C@@H]2CN(C(=O)c3ccoc3B(O)O)C[C@H]12	2312857067	MRXUEPOYSROUNX-QXFUBDJGSA-N	249.075	-0.313	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@]12COC[C@@H]1C2	2317152085	XZSRHWRHNZKMAK-JOYOIKCWSA-N	244.059	-0.561	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)ncc1F	2320792375	DLUJDDSMGTXKMH-DWHQLOFCSA-N	248.066	-0.033	50	10	BBGE	
NC(=O)C(=O)NNc1cccc(Cl)n1	1565412	BKYDWBNTCXBHMS-UHFFFAOYSA-N	214.612	-0.337	50	10	BBGE	
CC(=O)N(CCN(C(C)=O)[N+](=O)[O-])[N+](=O)[O-]	2040184	QYYIAMKTNITMRW-UHFFFAOYSA-N	234.168	-0.933	50	10	BBGE	
CN(Cc1cccnc1)C(=O)C(=O)NN	36771785	QCYQCYGCXIUVKR-UHFFFAOYSA-N	208.221	-0.970	50	10	BBGE	
CCN(CCC(=O)NN)CCN(C)C	58840515	UCGDEWJNZYTQSN-UHFFFAOYSA-N	202.302	-0.750	50	10	BBGE	
NC(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1	70187118	HDBZOYQVIXCJDQ-UHFFFAOYSA-N	213.153	-0.764	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@@H]1CCC(=O)N1	70681395	LNEZGYFJTIYQFU-RITPCOANSA-N	247.682	-0.282	50	10	BBGE	
Cn1cnnc1CCNC(=O)NC(=O)CCl	70961362	JNYJWVJQFUTSMO-UHFFFAOYSA-N	245.670	-0.578	50	10	BBGE	
Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NN	86113393	FVMHRZNNSCDHRB-BYPYZUCNSA-N	226.236	-0.541	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)CSC	89994553	OCTHOKCUTZFTPF-YFKPBYRVSA-N	206.267	-0.468	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC[C@@H](N)C2)o1	110591490	CZYRUIDWBOJMNA-MRVPVSSYSA-N	238.291	-0.194	50	10	BBGE	
CN1CCN(Cc2cc(C(=O)NN)no2)C1=O	110601516	IWRMAKYVACOYQX-UHFFFAOYSA-N	239.235	-0.855	50	10	BBGE	
CC[C@H](CSC)NC(=O)C(=O)NN	133941940	MNKKBOOFHVNWIX-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CO)C1	159483104	MHCSAFZGIJPUDY-SFYZADRCSA-N	201.270	-0.931	50	10	BBGE	
CNC(=O)[C@@H]1CCCON1C(=O)CCl	196595495	AKTSVPBQOQOGRS-LURJTMIESA-N	220.656	-0.106	50	10	BBGE	
NCCCC[C@@H](NN=C=O)C(=O)N=C=O	197323006	LCPNYLRZLNERIG-SSDOTTSWSA-N	212.209	-0.813	50	10	BBGE	
CCN(C)Cc1ccc(OC)c(B(O)O)c1	203190266	XNAJTWSOUXBYHT-UHFFFAOYSA-N	223.081	-0.173	50	10	BBGE	
COCCN(CCCl)Cc1nnn(C)n1	234619002	CAQONATZGXMJPP-UHFFFAOYSA-N	233.703	-0.103	50	10	BBGE	
CCOC(=O)C[C@H](Cl)[C@H](N)C(=O)O	238252602	AGINAYXZMPNOSE-NJGYIYPDSA-N	209.629	-0.041	50	10	BBGE	
NC(=O)N/N=C1\c2ccccc2C[C@@H]1O	238569625	PHFOICXTYXLWLP-IJTFOSHNSA-N	205.217	-0.024	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)[C@H](C)CO1	250684205	ZUXKJTHNQNXNFY-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
C[C@H]1CN2CCC[C@H]2CN1CCCC(=O)NN	251870880	TZTZYBHDNFRSHD-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@H]1CC(O)C2	252600169	LKBVVWGRYJVIIE-XKNYDFJKSA-N	241.335	-0.011	50	10	BBGE	
CN(N)C(=O)[C@@H](N)c1ccc2c(c1)CCO2	258946920	AQSUYBYKHXJBTE-JTQLQIEISA-N	221.260	-0.047	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCCNCC1	302274394	DJYYZXAMTOAGTF-UHFFFAOYSA-N	249.318	-0.520	50	10	BBGE	
NNC(=O)c1cccnc1Cn1ncccc1=O	302461262	YNWXKOLKOBSJNW-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
Cn1nnnc1CNC(=O)CBr	307224184	APSFLFAPJCVLSP-UHFFFAOYSA-N	234.057	-0.779	50	10	BBGE	
NNC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O	308686402	WJVQYGMISAAMLE-DKXJUACHSA-N	210.233	-0.111	50	10	BBGE	
C[C@@H]1OCCN(C(=O)NN(C)C)[C@H]1C(=O)O	328462493	KFYYZWAMVQERAW-NKWVEPMBSA-N	231.252	-0.654	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1CCO)C(=O)NN	379867464	OUJFYYBJQAWNPM-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
COC[C@@H](OC[C@@H](OC)C(C)C)C(=O)NN	380090168	GOGOFGHFBVBJTR-RKDXNWHRSA-N	234.296	-0.321	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CC(=O)NC)C1	382247939	KKZLQSJKPPSUAF-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CCN(CC)C1[C@@H]2CN([C@H](C)C(=O)NN)C[C@@H]12	384240302	HYNGXPCJTQLENJ-OPRDCNLKSA-N	240.351	-0.363	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC(C)(O)C1	394965285	LHWOOSHMEZPYOQ-UHFFFAOYSA-N	239.275	-0.242	50	10	BBGE	
O=Cc1cc(B(O)O)cc2cc(CO)sc12	396346530	ZIWGWBGIDBTNKG-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC(C)(CCN1CCOC[C@@H](O)C1)C(=O)NN	399929174	RSFDPSTYGLPQNQ-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
Cc1nocc1C(=O)Nc1cccc(B(O)O)n1	404957994	ZWDMVZJUYFHEOD-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1ccc[nH]1	405060781	PPSUGGZMZKGABN-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
Cn1nnnc1N1CCN2C[C@@H](Cl)C[C@H]2C1	405206319	ALJBIPKDDIWUQZ-YUMQZZPRSA-N	242.714	-0.288	50	10	BBGE	
NC(=S)NNC(=O)c1nccnc1Cl	606288517	ZMYRISSFFPPXMN-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CCN(C)C	688911464	OPBXJIFEZCCVBB-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
CC(C)COCCn1cc(B(O)O)cn1	694542444	CBCQHFMXHCEDEW-UHFFFAOYSA-N	212.058	-0.765	50	10	BBGE	
COCCCOc1cc(B(O)O)ccc1OC	700794593	YDCHUWMYQKNNMV-UHFFFAOYSA-N	240.064	-0.210	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(C(F)F)C2)O1	706488747	XASLMEPKGUWDET-JGVFFNPUSA-N	249.261	-0.279	50	10	BBGE	
C[C@@H]1CCN1Cc1ccc(B(O)O)cc1	706810869	DMLKJPYIJUOEDR-SECBINFHSA-N	205.066	-0.039	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCNC(=O)C[C@@H]1C	707347719	UOXKGEQUDRUGEI-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
Cc1conc1CN1CC(=O)OC(=O)C1	708484705	ZOFYTFABSNIOFF-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
Nc1cnnn1CC(=O)NNc1ccccn1	713460839	ZXVSNOGNBJPNMO-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
CN1CC(NC2=C(C#N)[C@H](N)[N]S2)C1	725591939	SLKFMAPLYFJIHC-SSDOTTSWSA-N	210.286	-0.824	50	10	BBGE	
CC(C)=C(C)CC(=O)NNC(=O)CO	897313181	WOADZGJEEJCGJO-UHFFFAOYSA-N	200.238	-0.128	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1[C@H]2CCCO[C@H]21	1457838197	SUCANOLGEZBKPP-FSDSQADBSA-N	223.236	-0.327	50	10	BBGE	
O=C1C[C@@H](CCN2CCOCC2)C(=O)O1	1535781450	NMWIZQNKHUYOCX-MRVPVSSYSA-N	213.233	-0.202	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc([C@@H](C)O)s1	1597341635	ROKOTWBWPKSELE-SCSAIBSYSA-N	244.276	-0.230	50	10	BBGE	
CC[C@](C)(O)C(=O)NNC(=O)c1ccnnc1	1639371977	SQHPCPYIZRVXER-JTQLQIEISA-N	238.247	-0.601	50	10	BBGE	
O=C(NOCCO)[C@H]1C[C@@H]1Br	1880434048	MLTRGISXBMYMIE-WHFBIAKZSA-N	224.054	-0.190	50	10	BBGE	
NCCNCC[S@](=O)C[C@@H]1C[C@@H]1Cl	1883554520	VCSNRTYTDNTVNV-UPFKWVMWSA-N	224.757	-0.089	50	10	BBGE	
O=C(O)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1883634727	NTSMJULQFYDPLO-WDCZJNDASA-N	207.613	-0.825	50	10	BBGE	
O=C(NNCCO)[C@@H]1[C@H]2CCCO[C@H]21	1884454269	UFRCRGFVBUBVHL-BWZBUEFSSA-N	200.238	-0.976	50	10	BBGE	
C[C@@H](CCC(=O)NN)OCCN(C)C	1884723043	BAOQZJDFJQUFJU-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC([C@H](O)CO)C1	1887274089	TUYJVWJZWSYUBT-IYSWYEEDSA-N	207.657	-0.575	50	10	BBGE	
OB(O)[C@@H]1CCN(CCOC(F)F)C1	1891516590	IWLLEXWEHMCPCO-ZCFIWIBFSA-N	209.001	-0.226	50	10	BBGE	
O=C(O)C1(NC[C@@H]2C[C@@H]2Cl)CNC1	1893006009	QHFWVQGEWNLCBL-WDSKDSINSA-N	204.657	-0.370	50	10	BBGE	
N[C@H](C(=O)NC[C@H]1C[C@@H]1Cl)C1COC1	1893128114	MRHQQGIUVFUTAD-DTLFHODZSA-N	218.684	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2COCC[C@@H]21	1896905886	AUHJNIULCVWBAB-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1cnsc1B(O)O	1900466163	BUQWXKLYWGYFMW-ZCFIWIBFSA-N	242.109	-0.401	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C=CCN1	1901368316	KHPNXXZFAKEKRU-MRVPVSSYSA-N	247.320	-0.784	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@H](OC)C1	1904643377	VMUMOZVJIXWQAR-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@@H](C(=O)NN)C(C)C	1907703253	BHCLXTLPXNVNIM-OPRDCNLKSA-N	245.323	-0.654	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2OCC[C@@H]2N)CC1	1917083882	HJKGGVMAAYLWHE-UWVGGRQHSA-N	221.260	-0.215	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](F)[C@@H](F)C1	1927917228	VCUIRXLJAOAMMY-YWIQKCBGSA-N	219.235	-0.396	50	10	BBGE	
C[C@H](OCCOCC(=O)NN)C(F)(F)F	1928178828	JNTADBYIRCVNHC-YFKPBYRVSA-N	230.186	-0.040	50	10	BBGE	
COC(=O)[C@H](Cl)CN[C@H]1COC[C@H]1OC	1928965091	ITGDMVXYPJZVSQ-GJMOJQLCSA-N	237.683	-0.230	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)[C@H](F)C1	1929911413	WGOOALJAYCQERR-PRJMDXOYSA-N	219.260	-0.840	50	10	BBGE	
CO[C@@H](C)CN(C)CC1(C(=O)NN)CC1	1931265343	NWGHZFFLGWCNHH-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@H](F)C1	1932120197	KIAYQWVPICMYKO-WDSKDSINSA-N	203.217	-0.627	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)[C@@H]1CCOC1	1935933662	ZJGTXWGTEGXRMT-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])cn1	1936089006	BIRFYMXJNBUQKS-CAHLUQPWSA-N	225.208	-0.583	50	10	BBGE	
CN1CC[C@H](N(C)C[C@H]2C[C@H]2C(=O)NN)C1	1936093865	IGKHFMLRKFMSGB-KXUCPTDWSA-N	226.324	-0.752	50	10	BBGE	
COCCN(CCCl)C(=O)Cn1cncn1	1937140276	BQWRSZVRYRCGMP-UHFFFAOYSA-N	246.698	-0.008	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1CC1(F)F	1942457654	LQJDGWLKTYXLOS-ZCFIWIBFSA-N	241.990	-0.645	50	10	BBGE	
CN(C)C(=O)O[C@H]1CCN(CCC(=O)NN)C1	1942662740	QVIAPCQMLLOMEP-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
Cc1ncc(OCOC2CCC2)cc1B(O)O	1944236803	IBZOEJDSQIMJEL-UHFFFAOYSA-N	237.064	-0.025	50	10	BBGE	
CN(Cc1cnn(C)c1)CC1(C(=O)NN)CC1	1945895089	XZSCEILOXKUFTG-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCBr)C[C@@H]12	1954820929	PAZDXACBMAZMGL-OLQVQODUSA-N	247.092	-0.414	50	10	BBGE	
C[C@H](Cl)C(=O)C[C@@H]1CNCCS1(=O)=O	1955170557	KJNCSKAIJOQHND-NKWVEPMBSA-N	239.724	-0.041	50	10	BBGE	
NC(=O)NN=Cc1cn2c(n1)COCC2	1957527494	NHZSSLRDNJACKV-UHFFFAOYSA-N	209.209	-0.585	50	10	BBGE	
CCSC[C@@H](NC(=O)NN(C)C)C(=O)O	1957911508	ADOLNCRUXLIVCP-ZCFIWIBFSA-N	235.309	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@]2(C)C[C@]2(CO)C1	1960271107	AKPQMIMKUXJBJQ-SZEHBUNVSA-N	213.281	-0.931	50	10	BBGE	
Cc1ncnc(OCC2CC2)c1B(O)O	1961695022	XOKLOBJVJUXQHX-UHFFFAOYSA-N	208.026	-0.746	50	10	BBGE	
CCN(OC)c1ncc(B(O)O)cc1C	1961718591	QQURTORBWHQVBJ-UHFFFAOYSA-N	210.042	-0.542	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN(C)[C@@H](C)C(=O)NN	1974928138	ZRUSADHWDDOUGB-CIUDSAMLSA-N	215.297	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C)(N(C)C)C1	1976832342	GZBRUXLOIMSWMF-DTWKUNHWSA-N	228.340	-0.363	50	10	BBGE	
N#CC1CN(Cc2cc(C(=O)NN)co2)C1	1978712772	YQZGGKXUSSYRGJ-UHFFFAOYSA-N	220.232	-0.162	50	10	BBGE	
C[C@H](CN1CC[C@H](CO)[C@@H](C)C1)C(=O)NN	1978945602	UXQUZDHPZVPSGS-IVZWLZJFSA-N	229.324	-0.437	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@H]2CC[C@H]21	1980228558	MNLMJUAEAHRYME-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
Cc1noc(C)c1CN(C)C(=O)C(=O)NN	1980836885	SSSMHIWYSHCMRR-UHFFFAOYSA-N	226.236	-0.760	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@H]1CF	1981143724	OEOABIUCCSBNQV-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
OB(O)c1cncnc1N1C2CCC1CC2	1981413497	HMXJXFNAJSZZNV-UHFFFAOYSA-N	219.053	-0.712	50	10	BBGE	
Cc1ccnc(N(C)[C@@H]2C[C@H]2C)c1B(O)O	1981529410	CYHUQKCQLPKJHK-RKDXNWHRSA-N	220.081	-0.086	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1C1(O)CC1	1987341508	SWBGWCOGIVTQFW-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
COCCCCOc1ccncc1B(O)O	1987528308	PWYOKAPXNNOAAO-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2C[C@H]1CN(C)C2	1987556409	JRPDZBRNXAJRIE-JXUBOQSCSA-N	226.324	-0.611	50	10	BBGE	
CCc1nn(C)c(C(=O)NNC(C)=O)c1N	1989354235	MAIJYJWYLFOWGH-UHFFFAOYSA-N	225.252	-0.654	50	10	BBGE	
NC[C@H]1C[C@H](CNC(=O)C=CC(=O)Cl)CO1	1991649250	ZGHJLRURPDIZET-HTQZYQBOSA-N	246.694	-0.212	50	10	BBGE	
NC(=O)C1(N)CCN(C(=O)[C@@H]2C[C@H]2Cl)CC1	1991680628	RYCUTCMCCJGRRH-RNFRBKRXSA-N	245.710	-0.581	50	10	BBGE	
O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2Cl)CC[C@H]1O	1991691161	ARFMEBQJAZNNON-OOJXKGFFSA-N	247.678	-0.092	50	10	BBGE	
C=C(CN(C)C[C@H]1CCCN1CC)B(O)O	1992159782	OKFHIQZTZCMCNB-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)c1cocn1	1996647431	MMEUFVINTWUJCE-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)[C@@H](C)[C@H](C)C(=O)NN	1997350891	IWKNXLHOAOIRRA-XKNYDFJKSA-N	247.339	-0.936	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCc2c(ncn2C)C1	2003940495	XINVKFKJZOHAOP-MRVPVSSYSA-N	237.307	-0.453	50	10	BBGE	
CCn1ncc(CN(C)[C@@H](C)CC(=O)NN)n1	2004803671	COWMDOPSJISKEQ-QMMMGPOBSA-N	240.311	-0.502	50	10	BBGE	
CC1(C)CN(c2ncncc2B(O)O)C1(C)C	2004916679	OHKRUWNOKGSGLN-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)C[C@H]1F	2004917677	XSRWWKZRDWXKMO-WCBMZHEXSA-N	238.071	-0.054	50	10	BBGE	
C[C@@]1(F)CCCN(c2ncc(B(O)O)cn2)C1	2004919488	ZLJHWSWOLCNUIW-SNVBAGLBSA-N	239.059	-0.515	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCCCCO1	2005015282	YMYXEJMWHSENFE-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC=C[C@@H](O)C2)C1	2010834774	HFPPLFHVCLIMLW-GMTAPVOTSA-N	239.319	-0.375	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H]2COC[C@@H]21	2017524879	KEINNNMNDMTJPJ-LPEHRKFASA-N	243.307	-0.900	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2020057661	CPTVHQCMQUPJRS-BWZBUEFSSA-N	245.034	-0.038	50	10	BBGE	
O=C(C[C@H]1C[C@H]1C(F)(F)F)NCC#CB(O)O	2021116457	UZQFDPDGGIMICD-RNFRBKRXSA-N	248.997	-0.294	50	10	BBGE	
Cc1ncc(C(=O)Nc2ccccc2B(O)O)o1	2031812456	NLZVWSBEICIMGA-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
N#Cc1c(N)ncnc1N1CCC(O)(C#N)CC1	2038215599	JFLVTQYFWSDKSP-UHFFFAOYSA-N	244.258	-0.215	50	10	BBGE	
Cc1ccoc1CN(C)c1ncc(B(O)O)cn1	2052468536	DWWFJTWZKJJXJI-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1ccc(N2CC[C@@H]3OCC[C@H]3C2)nc1	2052470170	AIZXHMAOAOWPAU-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCCC[C@H]32)ncc1B(O)O	2052552948	AEFFTGXJPWWDHR-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
OB(O)c1cnc2c(N3CCCO3)ccnc2c1	2052627961	TUHQTQGVZXJCIV-UHFFFAOYSA-N	245.047	-0.549	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)cc1F	2060114001	ZCCCAUYWNCLQMM-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
COc1cc(B(O)O)cc(OC)c1[N+](=O)[O-]	2060322841	DLCHNQDUDAJQJE-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
N#C[C@@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2211838292	FRMHQNASRDSYRO-GUBZILKMSA-N	222.292	-0.152	50	10	BBGE	
C[C@H](CO)CSc1nccc(B(O)O)c1F	2212601061	HZKNAACXGHLNQW-ZCFIWIBFSA-N	245.084	-0.379	50	10	BBGE	
C[C@H]1[C@@H](Nc2ncccc2B(O)O)C1(F)F	2212610312	GRUSVBZNOASLCG-CAHLUQPWSA-N	228.007	-0.173	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CC1(C(=O)NN)CCC1	2216534120	KHDHOXGOAINWDL-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@H]2CO)CCCC1	2216873067	WGWLEVRGUFMBGW-JTQLQIEISA-N	239.319	-0.231	50	10	BBGE	
CC[C@@H](Nc1cc(B(O)O)ccn1)C(C)(C)O	2217172379	JQZPSFNRKJHQCH-SECBINFHSA-N	238.096	-0.277	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccns2)[nH]c1	2217175531	KBHJCGOAKGHVRN-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
CC(C)C[C@@H](CN)Nc1cc(B(O)O)ccn1	2217175823	NTAHBPSUCFORQQ-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
C=C[C@H]1CCN(c2nccc(B(O)O)c2F)C1	2217180727	KKWCTAAIUOCVFH-QMMMGPOBSA-N	236.055	-0.087	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1nccc(B(O)O)c1F	2217183879	LLXXDCDNYGJKKL-OIBJUYFYSA-N	240.043	-0.510	50	10	BBGE	
CC[C@@H]1CNC[C@@H]1Oc1ncccc1B(O)O	2217186301	IJWIWOITPOVFDR-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
C[C@@]1(N)CCC[C@@H]1Oc1cc(B(O)O)ccn1	2217186334	IXFGEMPVNSHJDM-GXSJLCMTSA-N	236.080	-0.590	50	10	BBGE	
C[C@H]1C[C@@H](COc2cc(B(O)O)ccn2)CN1	2217192136	WCFFHPXUISBGBA-DTWKUNHWSA-N	236.080	-0.862	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cn[nH]c1	2217195291	IEVCMXAJMGXCSM-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
O=C(NCCC1(O)CC1)c1ccc(B(O)O)cc1	2219930040	MWHVNBMBUGFUIQ-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
OC[C@@H]1CC=CCN1Cc1cccc(B(O)O)c1	2220059787	SKCWZDIRKXBRIC-ZDUSSCGKSA-N	247.103	-0.511	50	10	BBGE	
O=C(C[C@H]1C=CCC1)Nc1ncc(B(O)O)cn1	2220157093	QJJNMVOPXWYXJR-QMMMGPOBSA-N	247.063	-0.549	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@@H]1CCCNC1	2223629603	VRBHPSLYBDEVPN-NXEZZACHSA-N	249.123	-0.439	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2c1ncccc1B(O)O	2223630341	ZUVFBUVGRRXRFR-FXPVBKGRSA-N	247.107	-0.923	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CNc2cc(B(O)O)ccn2)C1	2223634344	JLFKLBJPOPCSGE-JGZJWPJOSA-N	249.123	-0.487	50	10	BBGE	
CCN(CCN=c1ccc(B(O)O)c[nH]1)C1CC1	2223643506	WOXVGEVXUGSFBU-UHFFFAOYSA-N	249.123	-0.921	50	10	BBGE	
C[C@@H](N)[C@H]1CCCCN1c1ccc(B(O)O)cn1	2223645214	UETYXHYFUJPZHS-MWLCHTKSSA-N	249.123	-0.533	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1B(O)O	2223646887	QOVYIUSRWWCKFW-SVDPJWKOSA-N	244.103	-0.086	50	10	BBGE	
Cc1cnc(N[C@@H]2CNCC[C@@H]2C)cc1B(O)O	2223652716	KXAUZMPNHHJEIF-GZMMTYOYSA-N	249.123	-0.520	50	10	BBGE	
C#CCCN(c1ncc(B(O)O)cn1)C(C)(C)C	2223670510	ZBLYYCSFEWVFOF-UHFFFAOYSA-N	247.107	-0.215	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@@H](C)[C@@H]1N	2223673941	IHOSEKIDDTXUOA-JZYVYDRUSA-N	249.123	-0.819	50	10	BBGE	
NCC[C@@H](O)C(=O)NC[C@H]1C[C@H]1Cl	2241999805	NCBYODLQCBWPIY-FSDSQADBSA-N	206.673	-0.560	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCC[C@@H]1F	2243362710	VIIFYDLSMNPVDX-IUCAKERBSA-N	227.044	-0.259	50	10	BBGE	
C[C@H](C[S@@](C)=O)NC(=O)C1CC(B(O)O)C1	2243397144	WKLVCUYXVSLGQY-DHTCHXOGSA-N	247.125	-0.877	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)c[nH]1	2243398992	IQGWTJSPMHRLFQ-LDWIPMOCSA-N	222.053	-0.777	50	10	BBGE	
C#CC[C@@H](C)CNS(=O)(=O)CC(=C)B(O)O	2243412143	HLXFLNCDXHHCMI-MRVPVSSYSA-N	245.109	-0.867	50	10	BBGE	
CC[C@@H](O)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420621	WISJMWQKPQTIML-XSPKLOCKSA-N	229.085	-0.485	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243752002	DBMDWCWVNYVPSK-DSYKOEDSSA-N	229.041	-0.829	50	10	BBGE	
O=C(CN1CCC(B(O)O)CC1)NC1CC1	2244176463	HSHVCPUUVLRCFQ-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1cc(N[C@H]2C[C@H](O)C2)ncc1Cl	2245913524	SXWQWBXKPMZXPJ-IZLXSQMJSA-N	242.471	-0.650	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1ccoc1B(O)O	2247739973	DODGDYUHDXAXBF-ZXFLCMHBSA-N	237.064	-0.266	50	10	BBGE	
CC(C)(C)[C@@H]1COCCN1C(=O)C#CB(O)O	2247740036	FHPYJQVFRXHKRC-VIFPVBQESA-N	239.080	-0.725	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccnn1C1CCC1	2247741316	XUHCTNPKEZAUOX-UHFFFAOYSA-N	233.036	-0.438	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ncccc1B(O)O	2247770915	RZWBXDXRULTSAJ-QMMMGPOBSA-N	234.064	-0.592	50	10	BBGE	
C#CC#CCNC(=O)c1scc(C)c1B(O)O	2247789084	POGXLAKUCRBKAS-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
CCCN(C)C(=O)c1nn(CC)cc1B(O)O	2247790762	GXIKDOHYTIBOGY-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
C=CCN(C)C(=O)c1ncc(C)cc1B(O)O	2247792270	RVNIDUQUMIMHBG-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
CN(CC1=CCCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247796545	APQWSDBWNMGNOY-NXEZZACHSA-N	239.080	-0.346	50	10	BBGE	
COCCN(CC(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2247798723	WRHGNNTXTDCAAO-VHSXEESVSA-N	243.112	-0.020	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247808871	MXLSTJOYIDBHBB-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@H]1CN	2247810218	VRFVOZASWJOWBD-QCLAVDOMSA-N	240.112	-0.565	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1CC2(COC2)C1	2247856145	DXBKSWYUXGTIIH-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
CCC1(C)CN(C(=O)c2ccoc2B(O)O)C1	2247867088	YMBJGLSNQYHFKF-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cn1	2247868011	OYMQPSCZIZPUMK-MRVPVSSYSA-N	234.064	-0.592	50	10	BBGE	
C[C@H]1CNCC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247877113	CBAGNEYELOZHFQ-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)C1CC(B(O)O)C1	2247893115	MKMPHPDILCQLJQ-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2OCC[C@H]2C1	2247894621	IZEKEENCEAHJLY-JXUBOQSCSA-N	239.080	-0.513	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2247900013	SEQOBLOWWVPDPS-CIQUZCHMSA-N	239.080	-0.921	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CCCC1	2247985528	IVJBVWXMCBDZQX-UHFFFAOYSA-N	235.048	-0.692	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)c(F)c1F	2248402380	WDSHDAYFEGVDAH-UHFFFAOYSA-N	238.986	-0.394	50	10	BBGE	
CC[C@@]1(C(=O)NCCC#CB(O)O)CC1(F)F	2250000092	DQPDZZLFHXIAAP-VIFPVBQESA-N	245.034	-0.057	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1occc1B(O)O	2251015452	SWSZYRVBQACJPU-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C(=O)[C@H]2CCC[C@H]21	2255452681	ATKWOOVWQGPAAI-JGVFFNPUSA-N	249.031	-0.890	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)oc2C)C1	2255456202	LEEKHZMURJAXFY-DTORHVGOSA-N	247.059	-0.591	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(B(O)O)c[nH]1	2255459534	IBMKLNOIDIDKFD-FKTZTGRPSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC2(CCCC2)C1	2255462761	ZMZZSNGMLYRGMP-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1ccoc1B(O)O	2255464062	QVWPRHBONXBFGU-NRPADANISA-N	247.059	-0.346	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	2255468336	ZLUSJZOUMAEITN-MBTKJCJQSA-N	249.075	-0.170	50	10	BBGE	
Cc1cnc(C(=O)N2C[C@H]3C[C@H]3C2)c(B(O)O)c1	2255559897	OWAAIKPCCHYXFK-DTORHVGOSA-N	246.075	-0.838	50	10	BBGE	
C[C@]1(CNC(=O)c2c[nH]nc2B(O)O)C=CCC1	2255688284	SYMAPXLKVDHWCA-NSHDSACASA-N	249.079	-0.824	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1CC=CCC1	2255719896	NHOUBYSOWSXETI-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368597	NPDDEKGJGMBEGC-KYXWUPHJSA-N	240.112	-0.789	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@H](N)C1	2298371831	XCHXOSAEGUUXKF-SGIHWFKDSA-N	240.112	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1[C@@H]2COC[C@H]1C2	2300405058	YNOVLERNJZWYGS-CHWFTXMASA-N	239.319	-0.134	50	10	BBGE	
CCN(CCF)c1ccc(C=O)c(B(O)O)c1	2301453573	YKMHSFZTOVBSCC-UHFFFAOYSA-N	239.055	-0.025	50	10	BBGE	
CC(C)=C(Cn1c(O)nnc(C)c1=O)B(O)O	2301838707	WSWSUQONLMIDIC-UHFFFAOYSA-N	239.040	-0.999	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@@H](O)[C@H]1C2	2302018481	QRDRBTLWUIDIST-GWOFURMSSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@@H]1CCNC1=O	2302050298	PEUVIRTXGMIXOI-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@H]1[C@@H]2CO)C(=O)NN	2303410920	QVFRAPAPGHXRNN-MWGHHZFTSA-N	241.335	-0.295	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1[C@@H]2C=CC[C@H]1CC2	2313081572	NGURRPRKFWJCMV-ZJUUUORDSA-N	247.059	-0.108	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H](CO)C1	2317162962	NEDXIEJDZPVVGQ-VIFPVBQESA-N	246.075	-0.943	50	10	BBGE	
CCCNC(=O)C(C#N)=CN[C@@H](C)C(=O)O	2324220868	ZWTQKNRTYKBXPI-ZETCQYMHSA-N	225.248	-0.017	50	10	BBGE	
N#CC(=CNCCCl)C(=O)NCC(=O)O	2324946362	UCXXVOMAPIPGII-UHFFFAOYSA-N	231.639	-0.577	50	10	BBGE	
O=C(O)/C=C/C(=O)NNC(=O)[C@H]1CC12CCC2	34132246	KDZSFSOTBYQCCC-TYWZFMJISA-N	238.243	-0.035	50	10	BBGE	
O=C(O)C[C@H](C(=O)O)[C@@H]1CC(=O)OC1=O	59995554	OKFOVURIUHKBLY-IMJSIDKUSA-N	216.145	-0.748	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H]1CCCO	82468733	RFBMSGZAGXNJIV-SECBINFHSA-N	215.297	-0.397	50	10	BBGE	
C[C@H](CN1CCCOCC1)C(=O)NN	82469357	LKAWEQNVZHREGR-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
NC(=O)C[C@@H](N)c1nnc(CBr)o1	83379881	TZTFCPRZGKQJOW-GSVOUGTGSA-N	249.068	-0.160	50	10	BBGE	
CC(C)(CN1CCC(O)CC1)C(=O)NN	86597594	KLEGFQPXENHOHH-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
CCOCCCN1CC(=O)OC(=O)C1	111217590	KQKGBUDAGMPFJQ-UHFFFAOYSA-N	201.222	-0.202	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(O)CCCC1	162485204	PNJMRHLXBKRRTN-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CCOCCN(C)Cc1ccccc1B(O)O	211724501	JKIOKLOJCXAWTG-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
C=CCN/C=C(/C#N)C(=O)N1CCNCC1	216967440	KVFPDJDFHGNXGO-KTKRTIGZSA-N	220.276	-0.399	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(CCO)CC(F)F	231592495	MTXPQVNSEOMQOC-RNFRBKRXSA-N	239.266	-0.440	50	10	BBGE	
CCN(C1CC1)[C@H](COC)C(=O)NN	232419089	GKTYPSSHTWLMRD-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC(F)(F)F	232420376	ZJNUVGZJJYRUNE-LURJTMIESA-N	243.229	-0.125	50	10	BBGE	
N[C@H](c1cccc(B(O)O)c1)C(F)(F)F	238626206	JHCSNYJTHYHNAV-SSDOTTSWSA-N	218.971	-0.072	50	10	BBGE	
NNC(=O)C1CCC(OC2COC2)CC1	238655265	YRFUQRPYLSGJJK-UHFFFAOYSA-N	214.265	-0.050	50	10	BBGE	
O=c1ccn(C[C@@H](O)CCl)c(=O)[nH]1	238676388	SNGONSGKMCSOFD-YFKPBYRVSA-N	204.613	-0.864	50	10	BBGE	
O[C@@H](CCl)CN1CCOC[C@H](O)C1	306651854	CGWKDRVNEIQJJN-JGVFFNPUSA-N	209.673	-0.721	50	10	BBGE	
CN1CCC/C1=C(/C#N)C(=O)NC(N)=O	308685501	YUPIOQLESOIEEQ-VOTSOKGWSA-N	208.221	-0.315	50	10	BBGE	
C[C@H]1CC(=O)N/C(=C(/C#N)C(N)=O)[C@@H]1C#N	309059574	ZHIQCKNIGOYCBM-MOHAZFOQSA-N	218.216	-0.455	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@H](C)C1	313763796	YAJHMXCDOAXNLB-LLVKDONJSA-N	249.119	-0.104	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@](C)(CO)C1	381383392	PWQDNSPLDRONFF-IQJOONFLSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](CO)CC1	382168731	VTZRQRDAHAHHPQ-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CC[C@@H]1[C@H](CO)CCN1CCC(=O)NN	385871052	JHGKDIHDQVUXPU-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
Cn1[nH]c(CNS(=O)(=O)CCl)cc1=O	391474082	SIPODXNDTVSFIP-UHFFFAOYSA-N	239.684	-0.671	50	10	BBGE	
O=C[C@H](O)[C@@H](O)[C@H](Cl)[C@H](O)CCl	393328064	AAKWHPOQUIOZJR-JGWLITMVSA-N	217.048	-0.886	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)ccc1[N+](=O)[O-]	396047301	GBZGQUSVSMKQJG-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
COC(=O)c1c(CCC=O)cccc1B(O)O	396138852	QQDOCMQSGHZXGN-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1cc2sccc2c(B(O)O)c1CO	396257562	YJGYZRFEOAXUJJ-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOC[C@@H](O)C1	399884395	GBLYUVRALGZRQB-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1C[C@H](N(C)Cc2cccc(B(O)O)c2)CO1	401476881	SBPIGHNGFYUTRJ-MFKMUULPSA-N	249.119	-0.024	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C2CC2)C[C@@H]1C	402753393	BLCPHNFSVJWHJA-GXSJLCMTSA-N	240.351	-0.077	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)[C@@H](C)C(=O)NN)CO1	688487135	KZEOWZAWBANMTI-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)c1cc(CN2CC[C@@H](F)C2)on1	689824994	DZDCQXKDEAGWOQ-ZCFIWIBFSA-N	228.227	-0.178	50	10	BBGE	
OC[C@@H]1O[C@H](Br)[C@@H](F)[C@H]1O	690705412	RTWYWCZOGUBRHY-FCAWWPLPSA-N	215.018	-0.203	50	10	BBGE	
Cc1ccc(B(O)O)c(OCc2nncn2C)c1	690877299	IMKCCEVBQPQRSN-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](O)CN(CCCC(=O)NN)C1CC1	692095138	HRABMSDDQIUPOM-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CO[C@H]1CCC[C@H](n2cc(B(O)O)cn2)C1	694486962	IWTLRRRFUWLHKV-UWVGGRQHSA-N	224.069	-0.307	50	10	BBGE	
NNC(=O)c1cc(CN2CCNCC2)cs1	701659209	XDBSURZJTKQWJH-UHFFFAOYSA-N	240.332	-0.243	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H]1CCOC1	703449419	RLJZIYFUFBLYTI-DJLDLDEBSA-N	225.244	-0.061	50	10	BBGE	
C[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B(O)O)c1	705213366	BIADZWSREHVANP-KCJUWKMLSA-N	249.075	-0.413	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](CO)[C@H](CO)C1	705329289	KKMTYOFYTPCBLM-FXQIFTODSA-N	221.684	-0.327	50	10	BBGE	
NC(=S)NNC(=O)/C=C/c1cccnc1	705967464	MCWNGGXUASZLMG-ONEGZZNKSA-N	222.273	-0.041	50	10	BBGE	
CC(C)(CCN1CCNC1=O)C(=O)NN	710180559	OQHCZAHAZGAXIL-UHFFFAOYSA-N	214.269	-0.582	50	10	BBGE	
CCCCC(=O)NCc1ncc(B(O)O)s1	714701002	DNLDADLSBAKDRH-UHFFFAOYSA-N	242.109	-0.371	50	10	BBGE	
OB(O)c1cncc(CN2CCCCC2)c1	716783765	IKRHEMZOLBOUGB-UHFFFAOYSA-N	220.081	-0.253	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H]1CCCN2C	720448798	YQOSVIRCPCQABF-GMTAPVOTSA-N	240.351	-0.077	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)[C@@H](C)CC(=O)NN	724143885	ZAAYJEJYDORVKE-XHNCKOQMSA-N	215.297	-0.136	50	10	BBGE	
NC(=O)[C@@H]1CCN1S(=O)(=O)CCCCl	757142214	FNXDCJMFNUTMDW-LURJTMIESA-N	240.712	-0.495	50	10	BBGE	
O=C(NN=Cc1cncnc1)N1CCOCC1	814820195	UDACWBKPHTYUKG-UHFFFAOYSA-N	235.247	-0.148	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)C(=O)NC1CC1	862503137	KRGHGHXJMZTXAK-UHFFFAOYSA-N	234.259	-0.466	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)C1CCC1	900658127	GNZATFRTGNEWPS-KHVHVRLGSA-N	212.249	-0.129	50	10	BBGE	
Cn1cc(C(=O)NNc2ncccn2)ccc1=O	1141445909	VXHXTJXDXDFWHB-UHFFFAOYSA-N	245.242	-0.068	50	10	BBGE	
CN(NC(=O)/C=C/c1ccncn1)C(N)=O	1320006810	YUCWOQYGZATVNF-NSCUHMNNSA-N	221.220	-0.469	50	10	BBGE	
Cc1nc(C(C)C)oc1C(=O)NNC(=O)CO	1611094882	QTGATTRDZGCIBX-UHFFFAOYSA-N	241.247	-0.140	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cnn(CCF)c1	1611410847	IBLSWXINIIVWBW-UHFFFAOYSA-N	239.214	-0.272	50	10	BBGE	
CC/C=C/CNC(=O)NNC(=O)C(=O)OC	1635565614	BIQCBDOEXOHELX-SNAWJCMRSA-N	229.236	-0.544	50	10	BBGE	
COc1nn(C)cc1C(=O)NNc1ccncn1	1635934363	UWMRISCEIHBROV-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
N#CC[C@H](C(=O)NNC(=O)CO)c1ccccc1	1641424629	VWAUWHAJZDZEOX-JTQLQIEISA-N	247.254	-0.176	50	10	BBGE	
O[C@H](CCl)CN1CCO[C@@H]2COC[C@@H]21	1876518060	SEUCJIZKJQGFHD-HRDYMLBCSA-N	221.684	-0.314	50	10	BBGE	
O[C@H]1[C@H](O)COC12CN(CCCCl)C2	1886159641	PGDNOHYEGFKUSA-SFYZADRCSA-N	221.684	-0.578	50	10	BBGE	
Cc1csc(CNC(=O)F)c1B(O)O	1887172524	ACZGVISFAAGZHF-UHFFFAOYSA-N	217.030	-0.085	50	10	BBGE	
C=CCNC(=O)NN(C)S(C)(=O)=O	1888554873	RAHQUBYHZBSFIG-UHFFFAOYSA-N	207.255	-0.722	50	10	BBGE	
CN(C)C[C@H]1CCC[C@@H](C(=O)NN)O1	1890884969	LLQGDKWPSVRTCS-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
NNC(=O)CCO[C@H]1COCC1(F)F	1893363931	GWXDGVOVHRUVGR-YFKPBYRVSA-N	210.180	-0.583	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1Cl)[C@H]1CNC[C@@H]1O	1893453487	NIXVIXFFNKNEGN-NGJRWZKOSA-N	218.684	-0.595	50	10	BBGE	
C[C@H](O)CNCCNC(=O)[C@@H]1C[C@H]1Cl	1893453924	RRDWDQSHTPNGKD-XLPZGREQSA-N	220.700	-0.300	50	10	BBGE	
O=C1NC2(CO1)CN(C[C@H](O)CCl)C2	1893483739	VHSYZYRIUGAPQN-ZCFIWIBFSA-N	220.656	-0.620	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@](C)(O)[C@H](O)C1	1894992940	ULTIUWZRSQJMGD-LKEWCRSYSA-N	221.684	-0.042	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@H](O)C[C@@H]1CO	1899577895	QKJUMXMTJOMURK-YIZRAAEISA-N	218.684	-0.065	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCn2cncn2)C1	1902518710	WZVIYHDENDFHMC-SECBINFHSA-N	224.073	-0.783	50	10	BBGE	
N#C[C@H](Cl)CN1C(=O)C(=O)N[C@@H]2CCC[C@@H]21	1902735625	ZBFYAMZFJCQYMI-RNJXMRFFSA-N	241.678	-0.003	50	10	BBGE	
CN(C)C1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1908365243	SHIRVRXZWBHLIE-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
CC(C)(CN1CC=C[C@H]1CO)C(=O)NN	1909054491	DTQXXHJPFKIPMH-QMMMGPOBSA-N	213.281	-0.765	50	10	BBGE	
C[C@H](CN1C[C@@H](C2CC2)CC1=O)C(=O)NN	1912272100	MPDQSBBEWVLITI-APPZFPTMSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN=S1(=O)CCOCC1	1913866529	GTLIDTPDUPLQQV-SFYZADRCSA-N	247.320	-0.889	50	10	BBGE	
CN(Cc1ccc(F)cc1B(O)O)C1COC1	1915675066	ZQCXTQWEFPVNPS-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(CCC(=O)NN)C1=O	1928102501	MYYVXNHPYVRLBH-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CC[C@H]2C1	1928181171	KRPGJVBLSPVQMQ-DTORHVGOSA-N	213.281	-0.665	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)[C@H](C2CC2)C1	1929071092	FSAMXLBGGJZROB-IUCAKERBSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](CN1C[C@@H](CO)C2(CC2)C1)C(=O)NN	1935770426	GKXMNDIHPOYJQA-BDAKNGLRSA-N	227.308	-0.683	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1CCCOC1	1935930509	UJSUAPYHXRDUHG-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@H]1CCS(=O)(=O)N1CC1(C(=O)NN)CC1	1938231747	CDPHQKUGPJRBCG-ZETCQYMHSA-N	247.320	-0.820	50	10	BBGE	
CC1(C)[C@@H](O)CCN1CC1(C(=O)NN)CC1	1938247981	ZFFCBMXSRHHDRZ-QMMMGPOBSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)CCO1	1941074239	QBSHKVVPZYOYPC-VWYCJHECSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](N2CCC2)C1	1941082955	KVSDJIGMSOQYOT-HBNTYKKESA-N	238.335	-0.608	50	10	BBGE	
CC(C)(C)CN(CCO)CCOCC(=O)NN	1941779235	AIDIOYSBHXUDKK-UHFFFAOYSA-N	247.339	-0.667	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CCn1ccnc1	1944475368	KXEQOWVEPTWCQO-JTQLQIEISA-N	239.323	-0.171	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC=CCO2)C1	1946043621	LUJBZQLBVGWNFS-UHFFFAOYSA-N	247.245	-0.358	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@@H](CC1=O)C2(F)F	1946720617	JIVLFBGISDKTHV-RQJHMYQMSA-N	247.245	-0.130	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2CNC[C@@H](O)C2)CC1	1949631799	REVIUWKUMKMNER-QWRGUYRKSA-N	235.287	-0.361	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1[C@@H]2COC[C@@H]21	1954207997	GACMOJFACRMFOX-KVSKUHBBSA-N	225.697	-0.006	50	10	BBGE	
O=C(CCl)N[C@H]1CO[C@@H]2COC[C@@H]21	1954527765	BTDLIQUMNWIIDO-DSYKOEDSSA-N	205.641	-0.245	50	10	BBGE	
C[S@@](=O)CC1CN(C[C@@H](Cl)C(=O)O)C1	1954990591	IZXLJTPFEAPIKP-NXSYQRQQSA-N	239.724	-0.011	50	10	BBGE	
C[C@@H](CCS(C)(=O)=O)N(C)C(=O)NN	1955545752	TWCMDIJHDLJXGY-LURJTMIESA-N	223.298	-0.675	50	10	BBGE	
OCC1(O)CCN(C[C@@H](O)CCl)CC1	1956256262	LLDVVWXLUNVMLX-QMMMGPOBSA-N	223.700	-0.595	50	10	BBGE	
CN1CC[C@H]2CCN(CC(=O)NN)C[C@@H]21	1958179086	VNTWVJVSQRDQSM-IUCAKERBSA-N	212.297	-0.998	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([S@@](C)=O)C1	1961564176	MTXBKBPWCIVNFV-ANRSDYALSA-N	233.337	-0.792	50	10	BBGE	
Cc1cn(-c2ccncc2B(O)O)cn1	1961710710	VBQAUMRMUZKEHG-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@H](O)C1	1980521939	VSAJAMDTXBLSGM-AEJSXWLSSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@@](=O)[C@H](C)C1	1981188909	SDLOMOPPRPBAJM-RXKWCEQPSA-N	247.364	-0.546	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[S@]1=O	1981192288	QHPJNNKDHNNMPJ-VPTHRUTESA-N	245.348	-0.791	50	10	BBGE	
Cc1ccnc(-n2ccnc2C)c1B(O)O	1981464197	ALJLZWSGUCHWJT-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	1981998206	ZNGMPLFPZBQRDV-RULNZFCNSA-N	231.246	-0.048	50	10	BBGE	
CCC(=O)N(C)[C@H](C)c1nscc1B(O)O	1987163068	XCVOTKGSKQQRAA-ZCFIWIBFSA-N	242.109	-0.248	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@H]2CC[C@H]21	1988712599	WTWGPFSCBBPSAI-AEJSXWLSSA-N	227.308	-0.398	50	10	BBGE	
C[C@H]1OCC[C@H]1CCn1cc(B(O)O)cn1	1991146597	DULDKUMBDQZQDN-RKDXNWHRSA-N	224.069	-0.622	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1C[C@@H](O)CCO1	1991714810	LQZBLHCUVBYBNX-PPYPBTKYSA-N	247.678	-0.036	50	10	BBGE	
Cc1nc(OC[C@@H]2C[C@@H]2C)ncc1B(O)O	1993081752	VTSYMVSCIJFLLZ-XPUUQOCRSA-N	222.053	-0.500	50	10	BBGE	
COC(C)(C)[C@H]1CCCN1C(=O)C(=O)NN	1994009682	VZFNXUNGRWCLFD-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](C(=O)N[C@H](CB(O)O)C(=O)O)C(C)(C)C	1998135848	UGOVVRMITUCYTL-RNFRBKRXSA-N	245.084	-0.289	50	10	BBGE	
COC[C@]1(C)COCCN1C[C@H](C)C(=O)NN	2002849893	GGTLQPDUUAOONK-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CN1C[C@]2(CCOC2)CC1=O)C(=O)NN	2003930224	HSBWZENJZHDPCG-KWQFWETISA-N	241.291	-0.749	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H]2CF)n1	2005016835	VVJBEYJOYVCOLD-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	2006197104	FMMPDMRUSIYOQR-HWUMTFDVSA-N	241.335	-0.175	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)C[C@@H]1C[C@@H]1C(=O)NN	2006199997	ZBGPVWKTLNHWFE-OINDSLJFSA-N	239.319	-0.563	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@H]2CO)c1	2007496066	PBBUCPFKRLODHA-VIFPVBQESA-N	237.259	-0.384	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@]1(O)CCOC1	2013284713	QQTNPVDPXRVANS-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@H]1C1(O)CC1	2013931778	YJBLJHVXHZIDJH-UWVGGRQHSA-N	241.335	-0.010	50	10	BBGE	
CN1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC12CC2	2014771344	GXVSTGAMEIIJME-ZJUUUORDSA-N	238.335	-0.608	50	10	BBGE	
Cc1nn(C[C@@H]2[C@@H]3COC[C@@H]32)c(C)c1B(O)O	2015133557	QVJJCYAJTOSKOW-ILWJIGKKSA-N	236.080	-0.928	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2016366380	XCIBVNIEFRBJMS-NOVAVLHJSA-N	239.319	-0.423	50	10	BBGE	
CO[C@H]1CC[C@H](C)N(CC(=O)NNC(C)=O)C1	2019207335	BGMXPYRURGWYCQ-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cc(C)on1	2019213706	VYHGSUPHNBKEDG-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
C=C(CN1CC[C@@H]2CCN(C)C[C@@H]2C1)B(O)O	2021158739	HTPNZTQYFJGQDS-NWDGAFQWSA-N	238.140	-0.172	50	10	BBGE	
CN1CCN(Cc2ccc(B(O)O)cc2)[C@H]2C[C@@H]21	2049379334	ITVRFMIQGXYGTM-STQMWFEESA-N	246.119	-0.745	50	10	BBGE	
CN(C)[C@]1(C)CCN(c2ccc(B(O)O)cn2)C1	2052472912	OQDDXWWOHSIDKM-GFCCVEGCSA-N	249.123	-0.708	50	10	BBGE	
O=c1cc(O)ccn1Cc1cccc(B(O)O)c1	2054654622	IGGBASUAJODKQO-UHFFFAOYSA-N	245.043	-0.718	50	10	BBGE	
O=Cc1cc(F)c([N+](=O)[O-])c(B(O)O)c1	2060054697	CULQHURLWMGGIK-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2068330388	CSYLLZICZXASDI-MYQHRXMXSA-N	248.066	-0.255	50	10	BBGE	
CC(C)[C@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	2079518418	HVIKOBNATOFBFD-NXEZZACHSA-N	248.091	-0.008	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)nc1	2086995224	QDEXHHPTJJPWEH-VEWYJCLLSA-N	243.071	-0.350	50	10	BBGE	
ClCCC#CCN=c1ccc2nnnn2[nH]1	2210512371	AUAHIJJGURPUEV-UHFFFAOYSA-N	236.666	-0.015	50	10	BBGE	
OB(O)c1csnc1CN1C[C@H]2CC[C@H]2C1	2211138233	RNTCZIAWGYMNOK-OCAPTIKFSA-N	238.121	-0.335	50	10	BBGE	
CCC[C@@H](C)CN=c1ncc(B(O)O)c[nH]1	2212601183	KCFZFUJCLMVPEV-MRVPVSSYSA-N	223.085	-0.574	50	10	BBGE	
C#C[C@@H]1CCCN1c1ncccc1B(O)O	2212603509	OZLXFSUQKTYUBO-SECBINFHSA-N	216.049	-0.637	50	10	BBGE	
NNC(=O)C1(CN2CCC3(COC3)C2)CCC1	2216487547	MQXWDQYNZKSTIO-UHFFFAOYSA-N	239.319	-0.131	50	10	BBGE	
COCC1(N(C)c2cc(B(O)O)ccn2)CC1	2217172682	LPRTZTVDCABJEE-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCCNC2)nc1	2217173049	OKGVLYCVJRVOIP-JTQLQIEISA-N	235.096	-0.685	50	10	BBGE	
Cc1cnc(NC[C@@H](O)C(C)C)cc1B(O)O	2217184736	VUDCZMMECHKEGY-SNVBAGLBSA-N	238.096	-0.501	50	10	BBGE	
N#Cc1cncc(Oc2ncccc2B(O)O)c1	2223644719	MTUAAXDVUWFVQN-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
Cc1cnc(NCC2(CN)CCC2)cc1B(O)O	2223646070	FYXSMAJIVKGDMV-UHFFFAOYSA-N	249.123	-0.389	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CNC[C@H]2C2CC2)nc1	2223657499	BRECAZNPEHAOEY-QWRGUYRKSA-N	248.091	-0.862	50	10	BBGE	
C#C[C@@H](C)NS(=O)(=O)N1CC(Cl)C1	2241354610	ZCECDDMIQLUTRC-ZCFIWIBFSA-N	222.697	-0.235	50	10	BBGE	
NNC(=O)c1nccnc1Br	2241502486	KWCXEVBRKOGVBQ-UHFFFAOYSA-N	217.026	-0.157	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](O)[C@@H](O)CC1	2241588921	IRLBNTOSYXYHKY-CSMHCCOUSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC(O)(CCO)C1	2241810990	KTBIVIDXKLFSBU-ZETCQYMHSA-N	221.684	-0.183	50	10	BBGE	
COCCN(C[C@@H](C)O)C[C@@H](O)CCl	2242089497	DUZBBNMOQAHJCG-BDAKNGLRSA-N	225.716	-0.085	50	10	BBGE	
NNC(=O)CN1C[C@H](O)C[C@@H]2CCCC[C@H]21	2242738765	NINKZZNEFZDUDF-IVZWLZJFSA-N	227.308	-0.398	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C#CB(O)O)C1(C)C	2243350075	VEQGXLANRDXEDT-MRVPVSSYSA-N	225.053	-0.972	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2243357474	XGAZEJYWUAUQEE-ZETCQYMHSA-N	222.053	-0.611	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@H]21)C1(B(O)O)CC1	2243359611	UXIODSJBRMKRGJ-XLPZGREQSA-N	225.053	-0.856	50	10	BBGE	
CCON(CC)C(=O)c1ccoc1B(O)O	2243361365	ABJYJUSYGUYMDC-UHFFFAOYSA-N	227.025	-0.627	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2243363806	MSUMRSIDVQWCDC-MRVPVSSYSA-N	222.053	-0.244	50	10	BBGE	
CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@H]1B(O)O	2243391305	IZORXDBZBCRJAX-NKWVEPMBSA-N	223.041	-0.769	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCC[C@@H]1CO	2243404041	IFKALECNNMFDIK-HRDYMLBCSA-N	227.069	-0.777	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)[C@@H]1C[C@@H]1B(O)O	2243404182	KQCDFXAEHASQLO-XGQMLPDNSA-N	225.053	-1.000	50	10	BBGE	
CC[C@H](COC)N(C)C(=O)C1(B(O)O)CC1	2243408354	LQJSLBWDOZPXFO-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccc(B(O)O)s1	2243408557	PKJMODXQOPGBTP-QUBYGPBYSA-N	239.105	-0.044	50	10	BBGE	
O=C(NC[C@@H]1CCCCN1)C1(B(O)O)CC1	2243408563	PNYCGXPQEKJKEK-QMMMGPOBSA-N	226.085	-0.748	50	10	BBGE	
N[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243415872	DNMPUBWROXWWGJ-BZNPZCIMSA-N	226.085	-0.765	50	10	BBGE	
C#CCN(OC)C(=O)c1sccc1B(O)O	2244258913	SXCHRONUWSFEKZ-UHFFFAOYSA-N	239.061	-0.935	50	10	BBGE	
CO[C@H](C)CCC(=O)NCCC#CB(O)O	2244548635	SDCNVICNFDTVDR-SECBINFHSA-N	227.069	-0.677	50	10	BBGE	
C[C@H]1CCN1C(=O)Nc1cc(B(O)O)ccn1	2246743816	OWPGIPKENQSHLL-ZETCQYMHSA-N	235.052	-0.613	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)ccc1N	2247738966	XGDFHGJASWNBCG-UHFFFAOYSA-N	234.020	-0.769	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1cc(B(O)O)c[nH]1	2247744933	ZQPTZSDDMRZWJV-ZETCQYMHSA-N	235.052	-0.883	50	10	BBGE	
CCCc1cc(CNC(=O)C#CB(O)O)on1	2247747785	SGPBWXOAEJKXPW-UHFFFAOYSA-N	236.036	-0.741	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CF)C1)c1ccc(B(O)O)o1	2247748189	ZESBOCFWLGQUIA-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@@H]1CN	2247753915	KIDFRQXXZAAIJG-BDAKNGLRSA-N	240.112	-0.563	50	10	BBGE	
O=C(Nc1cccnc1)c1occc1B(O)O	2247758774	WQGZQUDKXOYVEQ-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2NCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247787307	NFQQXOOUCLVSLG-SQXHDICFSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOCC12CC2	2247787974	XHBYXKKBSVEXKM-DTORHVGOSA-N	239.080	-0.369	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247787998	XRXUAOMYCIYKMF-IMSYWVGJSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COC[C@@H]2C1	2247792222	RFVRURLSOURWMY-AATLWQCWSA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](O)C1)[C@H]1C[C@H](B(O)O)C1	2247797321	ILNIEBUJSTXMMX-XKNYDFJKSA-N	241.096	-0.341	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2(CC1)CNC2	2247805463	KGIZZIDMUFXACG-RKDXNWHRSA-N	238.096	-0.939	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247850197	LHFQRQZCIZLTQT-KCJUWKMLSA-N	237.064	-0.122	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@H]1C[C@@H]1F	2247853179	HKOLVLVWDDYGKX-SVRRBLITSA-N	241.027	-0.644	50	10	BBGE	
O=C(N1CC[C@@H](O)C12CCC2)C1(B(O)O)CC1	2247877527	BOUPKJFMTHZOMO-MRVPVSSYSA-N	239.080	-0.491	50	10	BBGE	
CC(C)N(C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247898868	IGPHOYYTRCZWSM-AOOOYVTPSA-N	242.128	-0.304	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCC[C@H](CO)C1	2247899402	NDJLCFCEQLNSBQ-GUBZILKMSA-N	241.096	-0.530	50	10	BBGE	
CC1(C)CN[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247900384	WJMMDFGZALYXQC-DJLDLDEBSA-N	240.112	-0.646	50	10	BBGE	
CN(C)CC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247900528	XPHWVYGQJPEDFC-DTWKUNHWSA-N	240.112	-0.693	50	10	BBGE	
CCC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCNCC1	2247900704	ZAKHPALFYQOHDB-DTWKUNHWSA-N	240.112	-0.502	50	10	BBGE	
NC[C@@H]1CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247905591	USYKEVMFDBMHMX-SEZDTBSWSA-N	240.112	-0.517	50	10	BBGE	
C[C@H](F)CNC(=O)c1cc(B(O)O)ccc1O	2248032757	ODQADZKNXZDOKZ-LURJTMIESA-N	241.027	-0.840	50	10	BBGE	
Nc1cccc2c1CCN(C(=O)C#CB(O)O)C2	2255460390	SSOFNAJNCVHAIB-UHFFFAOYSA-N	244.059	-0.831	50	10	BBGE	
CCn1cc(NC(=O)c2ccc(B(O)O)o2)cn1	2255467194	JQZCVQYHIGEJSG-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2ccoc2B(O)O)C1	2255467547	OSXZTKKQRYCKLN-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCCC2)n1	2255487444	PNZCBEUUCYNJPQ-UHFFFAOYSA-N	248.091	-0.304	50	10	BBGE	
C[C@@H]1[C@H](CNC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255516233	JKERRJOSAUBUPF-DIYOJNKTSA-N	248.091	-0.607	50	10	BBGE	
C#C[C@H](NC(=O)c1cncc(B(O)O)c1)C(C)C	2255522361	IUWXXAWTEBNCCI-NSHDSACASA-N	246.075	-0.851	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1ccc(B(O)O)o1	2255672675	KFRSRGJYONPSJJ-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cc(B(O)O)oc1C	2255688880	BHSCERRRXCBXOP-UHFFFAOYSA-N	249.075	-0.200	50	10	BBGE	
C#C[C@@H]1CC[C@H](NC(=O)c2occc2B(O)O)C1	2255741265	CKHYNJNDPQNGHY-BDAKNGLRSA-N	247.059	-0.509	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ncc(B(O)O)cn1	2255773693	DNRMAZCBVXIAII-VXNVDRBHSA-N	249.079	-0.973	50	10	BBGE	
C=C[C@H]1CCCCN1C(=O)c1c[nH]nc1B(O)O	2255793157	SVVRRSIDYJXYAO-QMMMGPOBSA-N	249.079	-0.730	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1cocc1B(O)O	2258130915	NTVIMKVXAWCDDY-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]1CO2)[C@@H]1C[C@H]1B(O)O	2298375757	YJLDWBCHSKIPMW-VAPHQMJDSA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@H]1CCN1C1CC1)[C@@H]1C[C@H]1B(O)O	2298376840	RWQTVCACLFCLLI-OPRDCNLKSA-N	238.096	-0.798	50	10	BBGE	
NCC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377623	YCETUPUBXAIJCN-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1C(=O)O)[C@H]1C[C@@H]1B(O)O	2298464075	PTPGDCOOGPEVCC-DKXJUACHSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](COc1cncc(C(N)=O)c1)C(=O)NN	2301612596	XJVMZSNBPFOCIH-LURJTMIESA-N	238.247	-0.815	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC2COCCOC2)C1	2303150163	IITAZAQZYNAFQI-NSHDSACASA-N	243.112	-0.412	50	10	BBGE	
OB(O)c1cc(=NCC2=CCCC2)[nH]cc1F	2303850674	VQGGPNPBASTTQD-UHFFFAOYSA-N	236.055	-0.155	50	10	BBGE	
CCNC(=O)Nc1ccc(C)c(B(O)O)c1F	2307573169	AKAXURMQUFMRDF-UHFFFAOYSA-N	240.043	-0.045	50	10	BBGE	
CC1(CNc2ccc(C=O)c(B(O)O)c2)COC1	2317348095	IIQJFTGKNZNTHI-UHFFFAOYSA-N	249.075	-0.373	50	10	BBGE	
C[C@H]1NCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349915	KVACARQBVKJEGZ-PRHODGIISA-N	248.091	-0.659	50	10	BBGE	
CC[C@H]1C[C@H]1CC(=O)Nc1ncc(B(O)O)cn1	2320396516	INISMAPLHYRIKG-YUMQZZPRSA-N	249.079	-0.469	50	10	BBGE	
CCN(CC)CCCNC[C@H](C)C(=O)NN	58838065	NXTNFVBIBXWNNN-JTQLQIEISA-N	230.356	-0.066	50	10	BBGE	
CC[C@@H](NC(=O)C(=O)NN)c1nccs1	70734350	GLWHJWLDRUXVSX-RXMQYKEDSA-N	228.277	-0.300	50	10	BBGE	
Cn1c2ccccc2n2c(C(=O)NN)nnc12	75848714	OODUGQFWJLOMDY-UHFFFAOYSA-N	230.231	-0.176	50	10	BBGE	
C[C@H](O)CN(C)Cc1ccc(C(=O)NN)cn1	94763740	YIVGXBGCLTWQQQ-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
N#Cc1nccn1C[C@H]1CC[C@@H](C(=O)NN)O1	94940827	MUQGEECCUPZEPL-SFYZADRCSA-N	235.247	-0.708	50	10	BBGE	
C[C@@H](CN1CC[C@H](N2CCCC2)C1)C(=O)NN	110581881	NLPMCHUDAQNFJA-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N1CC(=O)OC(=O)C1	111217899	IWOKUHFVYFIIEA-HTQZYQBOSA-N	213.233	-0.061	50	10	BBGE	
COc1ccc(=O)n(CCCCC(=O)NN)n1	134523585	RWTCNBYRRDNUSH-UHFFFAOYSA-N	240.263	-0.588	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](CO)C1	216468020	WFCIPFBFTYUDQJ-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CO[C@H]1CCCN([C@@H](C)CC(=O)NN)C1	230357507	OHOCCFMVAIRNMD-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc(C)c(C)c1C	232421059	ZBBNZRDQTWTNDH-SECBINFHSA-N	226.280	-0.014	50	10	BBGE	
CNCC(=O)NNc1nccc(OC)n1	237249793	LIZWOCFMQGROOS-UHFFFAOYSA-N	211.225	-0.852	50	10	BBGE	
CO[C@@H]1O[C@@H]2[C@H](Cl)C(=O)O[C@@H]2[C@H]1O	307104004	HQNVETSECVIEJK-CTRAUPHBSA-N	208.597	-0.749	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(C(=O)CCCCl)C1	309060285	VHWDMJWUBIXGNZ-SECBINFHSA-N	234.683	-0.546	50	10	BBGE	
Cc1nccn1-c1cc(F)c(B(O)O)cn1	309329490	SEHNSHRNBFFCKU-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
Nc1cc(F)c(B(O)O)c(OC(F)(F)F)c1	321678485	MSEAPFMDIKPATD-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Cn1ncc(C(=O)N2CCO[C@H](CCl)C2)n1	380856634	FUBAUFPHKOWLJE-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N(C)C)C1	382352732	QSTBELJMXZNBRD-SSDOTTSWSA-N	200.286	-0.999	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(OCC)C1	383045853	WHHOPIWESCNYBS-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCOC1	398905830	FXIUBYGWTFHZCT-QMMMGPOBSA-N	201.270	-0.665	50	10	BBGE	
C[C@H](SC[C@@H]1CN(C)CCO1)C(=O)NN	400796438	WNHATYWZKGRDNF-YUMQZZPRSA-N	233.337	-0.571	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](O)C1	401710298	SRQVXKGJVQUGFH-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
Cn1cnc(C(=O)Nc2cccc(B(O)O)c2)c1	404943104	MKYVLIVTTTXHLV-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
COC(=O)Nc1ccc(C)c(B(O)O)c1	405075335	DDZURYGBMJDXMD-UHFFFAOYSA-N	209.010	-0.147	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCCSC1	689510683	LPGOIYQDLHWXMK-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[C@@H](CN(C)[C@H](CO)C(C)(C)C)C(=O)NN	689789611	UCIHRKPNGDWPEJ-DTWKUNHWSA-N	231.340	-0.049	50	10	BBGE	
C[C@@H](CC(=O)NN)N(CCO)CC1CC1	690927702	RYLSKXAXTVQOCR-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCB(O)O	702031278	VVMALTQXHVDSPD-IWSPIJDZSA-N	228.101	-0.624	50	10	BBGE	
Cc1ccc(C(=O)NCB(O)O)nc1C	706530552	PXXRVPKJOPSBIV-UHFFFAOYSA-N	208.026	-0.560	50	10	BBGE	
CCCNC(=O)NCc1ncc(B(O)O)s1	714591463	YHYPVHDAFPPJGI-UHFFFAOYSA-N	243.097	-0.968	50	10	BBGE	
C#C[C@@H](CO)NC(=O)CCBr	718211505	SLTCMLIZIYTWKN-LURJTMIESA-N	220.066	-0.118	50	10	BBGE	
N#CC1(O)CCN(C(=O)C[C@@H](N)C2CC2)CC1	821980660	LERNEERSOPMLBU-SNVBAGLBSA-N	237.303	-0.009	50	10	BBGE	
COCCN(C)NC(=O)CN1CC[C@@H](C)C1	848056969	LLLKZELXEXYILV-SNVBAGLBSA-N	229.324	-0.062	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)N1CCOCC1	858908237	NUNIDBNEFYYCSB-UHFFFAOYSA-N	239.275	-0.141	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1	1136378810	OCNPAEHCWBQROD-ZETCQYMHSA-N	239.279	-0.441	50	10	BBGE	
CNC(=O)C1(C(=O)NNc2nc[nH]n2)CCC1	1161431375	FLAKLOVMAMWFTD-UHFFFAOYSA-N	238.251	-0.836	50	10	BBGE	
CN1C(=O)CCC[C@H]1C(=O)NNc1nc[nH]n1	1161432005	UKBCBUAKEWPBRL-LURJTMIESA-N	238.251	-0.741	50	10	BBGE	
CC(C)CNC(=O)NNC(=O)c1cn(C)nn1	1261570883	GGPBZSIBYBYEBA-UHFFFAOYSA-N	240.267	-0.585	50	10	BBGE	
C[C@H](O)C(=O)NN=c1cc[nH]c2cccnc12	1303437541	KYMRIMCKOTVUHQ-ZETCQYMHSA-N	232.243	-0.124	50	10	BBGE	
CCO[C@H](C(=O)NN(C)C(N)=O)[C@@H]1CCOC1	1329768737	WKEOORPVBMCAEP-SFYZADRCSA-N	245.279	-0.530	50	10	BBGE	
OCc1ccnc(N2CC[C@H](B(O)O)C2)n1	1331894848	HNVMULZRSLIOKZ-ZETCQYMHSA-N	223.041	-0.978	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2cnccc2n1	1472536749	OLVYZKFBZJTGAE-UHFFFAOYSA-N	246.226	-0.617	50	10	BBGE	
COC1CC(C(=O)NNC(=O)c2ncon2)C1	1538721111	TYJGWRUVPDTSHV-UHFFFAOYSA-N	240.219	-0.744	50	10	BBGE	
CN1CC[C@H](CNC(=O)CBr)C1=O	1883369151	VITFQMBFMUDWPY-ZCFIWIBFSA-N	249.108	-0.024	50	10	BBGE	
O=C(NC[C@H](O)CO)C1CC(Cl)C1	1883635792	CITHCOKZFJIEHT-AHXFUIDQSA-N	207.657	-0.527	50	10	BBGE	
C[C@H](N[S@@](C)=O)c1cscc1B(O)O	1886862849	QWNIHLNNONAZCE-OVZGEXIGSA-N	233.123	-0.628	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@H]1CCO1	1889749885	HTBQYDZTRCGQQK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
COC[C@@H](C)N1CC[C@](C)(B(O)O)C1	1891492906	QLQSQGBIKXUPIW-BDAKNGLRSA-N	201.075	-0.040	50	10	BBGE	
NC1CN(S(=O)(=O)NC[C@H]2C[C@H]2Cl)C1	1893127074	FRTAACPPJSQARU-IYSWYEEDSA-N	239.728	-0.909	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C[C@H]1C[C@@H]1Cl	1893136292	GHKPQBPVRIHTIB-CSMHCCOUSA-N	218.684	-0.200	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)C(=O)[C@@H]1C	1893840624	IDLMWCFFHNKCIH-GJMOJQLCSA-N	213.281	-0.131	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)c(C(=O)O)c1	1901236942	CGEDBOCESVENOD-UHFFFAOYSA-N	222.993	-0.977	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H](F)C1=O	1901647603	VBCQWQYKEGLLSE-RNJXMRFFSA-N	229.255	-0.427	50	10	BBGE	
CC1CC(S(=O)(=O)N2CC[C@@H](B(O)O)C2)C1	1902539025	KTEVOBONMGGJFK-QJAFJHJLSA-N	247.125	-0.337	50	10	BBGE	
COCC1(CN2CC[C@H](B(O)O)C2)COC1	1902546333	NDRLTLLSMDXVOB-VIFPVBQESA-N	229.085	-0.802	50	10	BBGE	
CO[C@@H]1C[C@H](O)CN(C(=O)C=CC(=O)Cl)C1	1902704406	PLUPLSWZZWIILO-JGVFFNPUSA-N	247.678	-0.084	50	10	BBGE	
Cc1cccc(NC(=O)N(C)O)c1B(O)O	1905159732	DVVFLWZBXUKOKH-UHFFFAOYSA-N	224.025	-0.472	50	10	BBGE	
C[C@H]1C(NC(=O)c2cccc(B(O)O)c2)[C@@H]1C	1910489506	RULOLWKIDRKKNQ-HTQZYQBOSA-N	233.076	-0.249	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1C[C@@H]2C[C@@H]2C1	1913607098	PHQOOTUYMBSIEQ-BRPSZJMVSA-N	246.075	-0.254	50	10	BBGE	
CN(CCBr)CC(CO)CO	1930665292	LSPFZGIPZSFVKN-UHFFFAOYSA-N	226.114	-0.086	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2C[C@@]2(CO)C1	1937052424	ASOZXGRIHVHMFG-KOLCDFICSA-N	227.308	-0.539	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1CC1(C(=O)NN)CC1	1938245793	AOIROTONYQNNNG-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H]2CC[C@@]21C	1940012010	GZJVPWHHUWBLHA-QXEWZRGKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13	1940824582	IRJRXDXURLNQBB-SDCKUUTBSA-N	239.275	-0.950	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C[C@]12COC[C@H]1C2	1940891485	LTRSGIFNTYFFPW-VXNVDRBHSA-N	249.261	-0.420	50	10	BBGE	
CN1CCC[C@H](N(C)C[C@H]2C[C@@H]2C(=O)NN)C1	1941086348	INGPGTANILPKOZ-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CCCN(CC(=O)NC)C[C@H]1C[C@H]1C(=O)NN	1941089586	WGAFXEUEEFDGOI-RKDXNWHRSA-N	242.323	-0.930	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1COC(C)(C)C1	1941772173	FMZLNNRGRDQTBH-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1943083822	RECWKCKYQLZCNM-YKDSUIRESA-N	241.335	-0.296	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](CCOC)C1	1943674285	SRRZWNGIOPLIFI-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
COC[C@]1(O)CCN([C@@H](C)CCC(=O)NN)C1	1946479968	YPNVNNALBVJYCN-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC2(CN(C)C2)C1	1946905656	HIMAUXVTTWCFKO-SNVBAGLBSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1COCCCO1)C(=O)NN	1948400983	QQNHFQPALJTJBT-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCl	1954070485	ZFYLOYCGKQHDDS-INWYIAFRSA-N	245.753	-0.035	50	10	BBGE	
COC[C@@H](NC(=O)C[C@@H](C)Cl)C(N)=O	1957319049	RQPLXYYQFYSLAE-PHDIDXHHSA-N	222.672	-0.380	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)CC[C@H]1O	1960160141	UJDSDRDKWDANFZ-VHSXEESVSA-N	237.727	-0.083	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2C[C@H]2CN)CC1	1962168921	SFPRWWBLIYVWHI-VHSXEESVSA-N	209.293	-0.068	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](O)CN1C[C@@H](O)CCl	1975204593	XSBUNNNPQNWTBY-BBBLOLIVSA-N	236.743	-0.417	50	10	BBGE	
CC[C@H](O)CN(CC)[C@H](COC)C(=O)NN	1977877771	CGSPLNGZFNWPFZ-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1c1ccccc1	1981021750	LFRRNUQADMFHAX-VIFPVBQESA-N	219.244	-0.050	50	10	BBGE	
Cc1nnc(CN(C)C[C@H](C)C(=O)NN)o1	1981093083	HVMSWILLMJORJY-LURJTMIESA-N	227.268	-0.564	50	10	BBGE	
OB(O)c1cnccc1N1CC(C2CC2)C1	1981413495	HMBRODYOMBCOFH-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
Cc1nc(OCC(C)(C)C)ncc1B(O)O	1981424327	RPVOALZTTSORAA-UHFFFAOYSA-N	224.069	-0.110	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H](F)[C@H](CCl)C1	1983545042	BMSRSPMMYDRHTI-RQJHMYQMSA-N	247.661	-0.292	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)CCCC(=O)NN	1983641572	YNNNDOBMRTYFFY-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
O=C1NC(=O)[C@H](C2CN(CC=CCCl)C2)N1	1986668761	CWJVNOMQDPXLBL-QMMMGPOBSA-N	243.694	-0.079	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1(C)CCC1	1990277253	HLBXKDYTEKKYCI-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(F)(F)[C@H]1C	1990773240	SVUXBRHOQOESHK-ZCFIWIBFSA-N	235.234	-0.117	50	10	BBGE	
CCc1conc1C(=O)NCC=CB(O)O	1991332186	QJTVEEZCTFRVQM-UHFFFAOYSA-N	224.025	-0.465	50	10	BBGE	
C=C(CN1CC[S@@](=O)C(C)(C)CC1)B(O)O	1992168310	YNYSLOHGYCSZFC-MRXNPFEDSA-N	245.153	-0.212	50	10	BBGE	
COc1cc(CN(C)C(=O)C(=O)NN)ccn1	2002013934	UKSFGBKRRODCHU-UHFFFAOYSA-N	238.247	-0.962	50	10	BBGE	
C[C@H]1C[C@H](N(C)c2ccc(B(O)O)cn2)CO1	2004916491	MATOOZGXGAYCQA-WPRPVWTQSA-N	236.080	-0.625	50	10	BBGE	
CCOCCCOc1nccc(C)c1B(O)O	2004931031	YJAFIFCMZQJLLF-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC2(CC(O)C2)C1	2005806947	JOKLPLDSHLMKGG-GRZMOONWSA-N	241.335	-0.008	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)CC(C)(C)C(=O)NN	2006196411	BEGIGZRPOVTQKP-OWUUHHOZSA-N	241.335	-0.173	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@]1(C)CCOC1	2006842813	MXPWEFACSKYKPG-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
CN(C)C1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010835796	SHIRVRXZWBHLIE-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]2CC[C@@H]21	2014918090	NEBJPCOTSSMQCA-XCBNKYQSSA-N	236.055	-0.111	50	10	BBGE	
CC(F)(F)C1(C(=O)NCC#CB(O)O)CCC1	2021117996	ZJNPLNPEKWOBQZ-UHFFFAOYSA-N	245.034	-0.057	50	10	BBGE	
CC(C)[C@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	2022543916	KIHKPOOLWLWEEF-GXSJLCMTSA-N	235.092	-0.180	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2022761743	LWIBNTCEBFFMAB-LNLATYFQSA-N	241.335	-0.295	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H]2CC2(C)C)n1	2023145879	XQCXOMQUEUCPEF-QMMMGPOBSA-N	236.080	-0.049	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)C[C@H](C)C2)n1	2052626380	UZNPMJAJJHDCFN-IUCAKERBSA-N	249.123	-0.053	50	10	BBGE	
COc1ccc(C#N)c(C=O)c1B(O)O	2060189601	LJPODUCWUVJXHH-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F	2079009475	IARWRFSDYTWZFF-QMMMGPOBSA-N	249.050	-0.495	50	10	BBGE	
CCN(C)S(=O)(=O)N[C@H]1COC[C@@H]1Cl	2209849200	LDJLUDPOBWXBKH-BQBZGAKWSA-N	242.728	-0.221	50	10	BBGE	
COc1ncc(Cl)cc1NC(=O)C(=O)NN	2210217832	BMRNPGFOZHONDP-UHFFFAOYSA-N	244.638	-0.328	50	10	BBGE	
OB(O)c1csnc1CN1CCC(F)(F)C1	2211136275	QEJRFDYOFFPXBI-UHFFFAOYSA-N	248.063	-0.336	50	10	BBGE	
Cc1ncsc1[C@@H](C)N(C)C(=O)C(=O)NN	2212005439	NIWQDQBDJUKDDZ-ZCFIWIBFSA-N	242.304	-0.039	50	10	BBGE	
NNC(=O)C1(CSC2CNC2)CCOCC1	2212447674	DPJQEUXKNVROHT-UHFFFAOYSA-N	245.348	-0.522	50	10	BBGE	
CC(C)NCCOc1ccc(B(O)O)cn1	2212605309	BMZQBOZPLVTOPK-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
CCN(C)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215772883	QPQTYFQFIZPRDL-MWLCHTKSSA-N	240.351	-0.362	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2215773750	BYBNXZGMFCWZFJ-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CC1(C(=O)NN)CCC1	2216490341	CGBWRLMZAGINEG-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN1CCCN(CC2(C(=O)NN)CCC2)CC1	2216495494	OYBFMGUDQLXRSK-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
COCc1nccn1-c1cc(B(O)O)ccn1	2217169126	BUMFRNHGIRSKOJ-UHFFFAOYSA-N	233.036	-0.907	50	10	BBGE	
C=CC1(CNc2ncc(B(O)O)cn2)CCC1	2217178388	VMCHUYNWBLYNMH-UHFFFAOYSA-N	233.080	-0.075	50	10	BBGE	
CCN1CC(Nc2nccc(B(O)O)c2F)C1	2217179839	BXROKPOVIDNDOD-UHFFFAOYSA-N	239.059	-0.984	50	10	BBGE	
CC1(C)CN[C@H]1COc1ncccc1B(O)O	2217183165	GMWTUOITDNSTAA-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)CC[C@H](N)C1	2217184005	PMLONZPHCYFJPD-GXSJLCMTSA-N	236.080	-0.590	50	10	BBGE	
OB(O)c1ccnc(NCCn2ccnc2)c1	2217199511	CZOBHFPWLGTCOQ-UHFFFAOYSA-N	232.052	-0.930	50	10	BBGE	
C[C@@H]1CO[C@H](CNc2cc(B(O)O)ccn2)C1	2217199575	NKLIDARJZSOBOH-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccoc2)[nH]c1	2217203082	PKBFVEAMZGGPCD-UHFFFAOYSA-N	232.048	-0.569	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2COC3CC2C3)c1	2217203854	AZTUYZJBSKAUQK-GDRRJGKNSA-N	234.064	-0.649	50	10	BBGE	
C[C@H]1CNCC[C@H](Nc2ncccc2B(O)O)C1	2223651112	VARPTOQTSHYMAU-ZJUUUORDSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(N[C@@]23CCC[C@@H]2CNC3)c1	2223667395	PPYIKIIOSRSXST-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1[C@H]2NCCCC[C@H]21	2223673154	DWNCNLUXLRUIGU-DVVUODLYSA-N	247.107	-0.686	50	10	BBGE	
CC(C)N(O)C(=O)[C@H]1C[C@H](B(O)O)C1	2241495568	KRPSUPOLCZAGLG-LJGSYFOKSA-N	201.031	-0.134	50	10	BBGE	
COC(=O)c1cccc(Cl)c1B(O)O	2241503940	IDXYGHWQNVKZMJ-UHFFFAOYSA-N	214.413	-0.194	50	10	BBGE	
C[C@H](CF)N(C)c1nc(B(O)O)cs1	2241733817	HQUNGNMORYJPGX-RXMQYKEDSA-N	218.062	-0.383	50	10	BBGE	
COCCCOc1cc(B(O)O)cnc1C	2242822946	JIEFVCOJRAQGNR-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CC[C@H]2C[C@H]1CO2	2242991167	OEVOYUJKWQTGKI-GUBZILKMSA-N	227.308	-0.277	50	10	BBGE	
CSCCN(C)C(=O)c1ccoc1B(O)O	2243349602	NSONHNBYZDLUKJ-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1ncsc1B(O)O	2243359645	VPHBZVPODLBIEU-ANLVUFKYSA-N	240.093	-0.649	50	10	BBGE	
CCC[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CO1	2243362233	NYQBJFOZCNCCTG-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
CCC[C@H](NC(=O)C#CB(O)O)C(F)(F)F	2243362602	UDRWDGWQSYIUHQ-LURJTMIESA-N	236.986	-0.151	50	10	BBGE	
C[C@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383285	WOMRJQRFZXYBNE-MAUMQABQSA-N	227.069	-0.610	50	10	BBGE	
C#CCCCNC(=O)c1cc(B(O)O)cs1	2243385396	IDICKOOMBOIJJP-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
CC1(CO)CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2243396790	QTBLCPXLTWRZOQ-DOPNHTQNSA-N	227.069	-0.874	50	10	BBGE	
CCN(C(=O)c1csnc1B(O)O)C(C)C	2243397674	HFBPNXWFMUJZMW-UHFFFAOYSA-N	242.109	-0.307	50	10	BBGE	
O=C(NC[C@H](O)C(F)(F)F)C1(B(O)O)CC1	2243410629	FJZMIQHEEVAAKJ-BYPYZUCNSA-N	240.974	-0.967	50	10	BBGE	
CC1CC(CC(=O)NCCC#CB(O)O)C1	2244546063	GKDNPXMHWCZNOY-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)c1ncon1	2247732708	IGQKOTWHMXYXHO-ZCFIWIBFSA-N	239.040	-0.356	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1CCC[C@H]2C[C@H]12	2247742185	LPTOEZAAAHHIIB-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1	2247744149	OKEDUFIVVKJYLV-CKIJPRSSSA-N	231.060	-0.718	50	10	BBGE	
O=C(NC[C@@H]1CCCCNC1)C1(B(O)O)CC1	2247750598	LXARNIJUHIJVPK-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
C=C1CN(C(=O)c2cccc(B(O)O)c2C)C1	2247751744	BNRVIKJMESJZLA-UHFFFAOYSA-N	231.060	-0.313	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@]1(C)CO	2247756104	MFWGZMWECYDLPF-PSASIEDQSA-N	241.096	-0.530	50	10	BBGE	
O=C(Nc1cnccn1)c1sccc1B(O)O	2247769541	JPWMJYYEIAUCAS-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC12CCNCC2	2247789781	BGXWJLBMTGYMJD-RKDXNWHRSA-N	238.096	-0.796	50	10	BBGE	
COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1C	2247799669	GSIRGPLKPLRSPU-QEYWKRMJSA-N	241.096	-0.410	50	10	BBGE	
Cc1cn(C)nc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247803305	ALUUEYAYHJTBTB-HTQZYQBOSA-N	237.068	-0.792	50	10	BBGE	
CCOCC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247805437	BQTNLAVMUQBTRO-MGCOHNPYSA-N	241.096	-0.266	50	10	BBGE	
CN(CCn1ccnc1)C(=O)[C@H]1C[C@H]1B(O)O	2247807140	HJKNOJMNVVCDIJ-DTWKUNHWSA-N	237.068	-0.796	50	10	BBGE	
CC1CC(C)(NC(=O)c2cc(B(O)O)c[nH]2)C1	2247850779	STHINSZEBWVHOT-UHFFFAOYSA-N	236.080	-0.387	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C(=O)C2(B(O)O)CC2)CO1	2247853455	MOBRQHXVASCVOY-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1C[C@]1(F)CNC(=O)c1coc(B(O)O)c1	2247874320	QBRJMGYQAIVLCI-WKEGUHRASA-N	241.027	-0.563	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(C)c(B(O)O)s1	2247874794	PHEABQSLWIESOW-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
CN(C(=O)c1ccc(F)cc1B(O)O)C1CC1	2247876898	YGEIZFIEGAZOLL-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
CCN(C)C(=O)c1cc(B(O)O)cn1C1CC1	2247876911	YLPFDDPTWADIMK-UHFFFAOYSA-N	236.080	-0.405	50	10	BBGE	
CC1(C)CC[C@H](N)CN1C(=O)[C@H]1C[C@H]1B(O)O	2247886377	BDFLEZICUNMQPK-XHNCKOQMSA-N	240.112	-0.422	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H]2[C@H]1CO	2247895696	VBJHVBNWDPIFAN-RXKWGBCNSA-N	239.080	-0.921	50	10	BBGE	
C#CC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247898723	HHGWDXZAZSYEDQ-KXUCPTDWSA-N	237.064	-0.900	50	10	BBGE	
C=C(C)C(=O)NCc1cc(B(O)O)ccc1F	2248414369	JBSBMOWWUQJGAK-UHFFFAOYSA-N	237.039	-0.302	50	10	BBGE	
CC(C)(C)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248585250	IPIARVCQKIKEHR-LURJTMIESA-N	243.068	-0.391	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2248586336	ZIJIOLQASXMQNG-PRJMDXOYSA-N	241.052	-0.685	50	10	BBGE	
C=CCC[C@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248586958	JWUICAQQKBFDJH-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
C[C@H](C(=O)O)C1CN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2248587456	PSUOLJOLSOUEFC-APQOSEDMSA-N	241.052	-0.972	50	10	BBGE	
CC(C)C[C@](C)(NC(=O)C#CB(O)O)C(=O)O	2249095706	KMOKFPCHKZOUAO-JTQLQIEISA-N	241.052	-0.993	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)co1	2249419238	FAGXEDHRTMCRAL-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)CCO[C@@H](CCNC(=O)C(=O)NN)C1	2250510215	SQAJVUQBKRSDBR-QMMMGPOBSA-N	243.307	-0.312	50	10	BBGE	
C[C@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C(C)(C)C	2250575895	VOJOOVAMMQZHHH-YIZRAAEISA-N	243.112	-0.143	50	10	BBGE	
CC[C@@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2251001724	KIXSWNXBWBLOBF-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
Cc1ncc(OCc2ncco2)cc1B(O)O	2251300595	BXSJKMMAWMMWKV-UHFFFAOYSA-N	234.020	-0.363	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccco1	2255463968	PNUCTKHURHWWBP-ZETCQYMHSA-N	248.047	-0.222	50	10	BBGE	
Cc1c[nH]ccc1=NC(=O)c1ccoc1B(O)O	2255468006	UZVKBFIXOYDNJZ-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)cc1F	2255498518	SRCKCWGJLNEVSW-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1F)N1C[C@H]2C[C@H]2C1	2255501511	RBYBBCLYAHMGFW-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
Cc1cc(C(=O)Nc2ccnnc2)oc1B(O)O	2255574462	BFJNSTLZQQIPCS-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CCC12CCC2	2255725300	LYCSQCHEDYWJIG-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1c[nH]nc1B(O)O	2255788190	LDZBBZPRZNXSJP-RDDDGLTNSA-N	249.079	-0.991	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2O)[C@H]1C	2256013223	DEHQPTWKSLIKCV-YUMQZZPRSA-N	249.075	-0.448	50	10	BBGE	
C[C@@H]1CC[C@H](NC(=O)c2nccnc2B(O)O)C1	2256063548	ZHJNWZVUJYKFGB-SFYZADRCSA-N	249.079	-0.925	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2C)ccc1B(O)O	2260836050	CSGWAIMDYPGIAG-KWQFWETISA-N	247.103	-0.053	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1ncco1	2263396736	XSYOMKQMZKUYNP-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2COCC[C@@H]21	2298165547	IRSFCFWPKGDDPH-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
CO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)[C@@H]1C	2298371539	NTRGZXHIINTMIP-XFWSIPNHSA-N	241.096	-0.125	50	10	BBGE	
CC=CC[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298462885	HXFGWKPTLFHWJT-GJMOJQLCSA-N	241.052	-0.615	50	10	BBGE	
CC(C)=CCOCCn1cc(C(=O)NN)nn1	2300885840	NFMCOWOAISDHTO-UHFFFAOYSA-N	239.279	-0.136	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@H]1O	2301340138	ANIYLQIAZMORLX-GHMZBOCLSA-N	232.048	-0.827	50	10	BBGE	
CC(=O)N(C)CCN(C)CC(C)(C)C(=O)NN	2301394857	FIYLUVNVOQVPMM-UHFFFAOYSA-N	244.339	-0.587	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)c(F)cn1)C1(N)CC1	2303859120	SQUQXKFYWZSABR-ZCFIWIBFSA-N	240.043	-0.841	50	10	BBGE	
CO[C@H]1COCCN(CC2(C(=O)NN)CC2)C1	2306798659	HDEBGQUXJPDYCY-SECBINFHSA-N	243.307	-0.896	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)n1	2309538991	GRHYVMBLXBSNJC-XNDJQWLSSA-N	244.103	-0.086	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](Nc1cc(B(O)O)ccn1)C2	2312613160	DEMRLXQWMDRSKF-WCQGTBRESA-N	248.091	-0.259	50	10	BBGE	
C[C@H](CO)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317152016	XGFWUDMNMWGEOZ-RKDXNWHRSA-N	248.091	-0.333	50	10	BBGE	
O=Cc1ccc(N[C@H]2[C@H]3COC[C@H]32)cc1B(O)O	2317309523	TXTGOAVVGFGXTQ-PEGIJTEDSA-N	247.059	-0.764	50	10	BBGE	
C=CC[C@H](C)C(=O)Nc1ncc(B(O)O)c(C)n1	2321169137	GYRGAJPASUEBBP-ZETCQYMHSA-N	249.079	-0.384	50	10	BBGE	
NNC(=O)c1cc(=O)nc2sccn12	126530	BQMRZPYFJIQKET-UHFFFAOYSA-N	210.218	-0.641	50	10	BBGE	
C[C@H](S)C(=O)NNC(=O)[C@@H](C)S	32156236	UNVNBMGSZYEBPK-ZXZARUISSA-N	208.308	-0.230	50	10	BBGE	
CC(=O)NCCNC(=O)CBr	41695849	NWGTXLKOHKVQTF-UHFFFAOYSA-N	223.070	-0.366	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1CCN(C)C1	82468774	IXSQBDWVACGCPP-JTQLQIEISA-N	228.340	-0.360	50	10	BBGE	
COCCCN(CCOC)CCC(=O)NN	82470047	COJTWNFMOIUGOB-UHFFFAOYSA-N	233.312	-0.649	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1CO)C(=O)NN	82470223	OXXALLLOQRPPME-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
CCCN(CC(=O)N(C)C)[C@H](C)C(=O)NN	82470895	QPMAMINMUFVDPD-MRVPVSSYSA-N	230.312	-0.835	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H]1CCC(=O)NC1	82516162	WGXWZHSCUBNDKA-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCN(C)CC1	86313340	ZUEULPMNFUFAPN-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC(C)OCCN(C)C[C@@H](C)C(=O)NN	87980004	FOHGBOJXFMBFJV-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
COc1ccc2c(c1)N(CC(=O)NN)C(=O)C2=O	111727005	SMMLSVWTWBCSKD-UHFFFAOYSA-N	249.226	-0.786	50	10	BBGE	
OB(O)c1ccc(-c2ncon2)c(F)c1	170013738	OKCNMMZRQHSALE-UHFFFAOYSA-N	207.957	-0.445	50	10	BBGE	
COCCCOc1cc(F)ccc1B(O)O	211702046	IGKJXDCPTLFOIC-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@@H]1CO	211832615	QEQRKHJPTWEUBO-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](CN)C1	216473733	VXFKEJIKMYSOBO-JGVFFNPUSA-N	200.286	-0.965	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](CN)C1	216474041	QOMAUZXHVNJQKR-YUMQZZPRSA-N	200.286	-0.965	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](N)C1	219252794	IYWAXOJIUMDRCW-SFYZADRCSA-N	200.286	-0.822	50	10	BBGE	
COC(=O)N[C@H]1CCN(CCCC(=O)NN)C1	228340833	HNBLPHOJIHYMPT-QMMMGPOBSA-N	244.295	-0.813	50	10	BBGE	
CCN(CCCO)C[C@@H]1CC[C@@H](C(=O)NN)O1	231868068	MQGCSZPBDMNZGT-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](C[S@](C)=O)NS(=O)(=O)CCCl	232301407	VZENUENYWWWTLR-QTTZVWFDSA-N	247.769	-0.088	50	10	BBGE	
Cn1cc(-c2cccc(B(O)O)c2)cn1	238510663	VBVUSCPSDLRSNB-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
N#Cc1ncc(B(O)O)cc1Br	238631699	MAABFJPCQILMCG-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@H](C(=O)NN)C(C)C	300246638	LPSJYSSCLDTIGK-BDAKNGLRSA-N	244.339	-0.685	50	10	BBGE	
C[C@@H]1N[C@@H](N)NC(=S)[C@@H]1Br	306450220	YWRIIVZMQQOZJN-GDGKWOGESA-N	224.127	-0.099	50	10	BBGE	
O[C@H]1C[C@H](Br)C[C@@H](O)[C@@H]1O	306506155	GHHOPJCDDUGPCW-RJYLNQFNSA-N	211.055	-0.374	50	10	BBGE	
C[C@@H](Br)C(=O)NCc1nnnn1C	306731825	GQSYXGQQSMAUBY-SCSAIBSYSA-N	248.084	-0.390	50	10	BBGE	
NNc1cccc(B(O)O)c1C(F)F	307023797	GGJUFRPZYYCBCR-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)CCl	307168092	UELBDKGJZZQJLH-WDSKDSINSA-N	240.712	-0.231	50	10	BBGE	
Nc1c(O)sc2cccc(B(O)O)c12	307490522	GZEQCTRFMMSXJW-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CN1C[C@H](NS(=O)(=O)CCCl)CC1=O	308660578	POERYRFJHUNDOV-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
NC(=O)C[C@H](N)C(=O)N1CCSSCC1	308840290	NESXQUVVPWAHNZ-LURJTMIESA-N	249.361	-0.587	50	10	BBGE	
CCC1(CNC(=O)C(=O)NN)CCOCC1	309273158	DJHDDKYEVTYWJW-UHFFFAOYSA-N	229.280	-0.701	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccncc2=O)cc1	310919203	JLJWVBIAXMOYMO-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[S@@](=O)CC1	321904707	QURQMMFPHDBXMD-XXFAHNHDSA-N	247.364	-0.401	50	10	BBGE	
Nc1c(F)ccc(OC(F)(F)F)c1B(O)O	322313889	ZHMSKFJVDAGPBY-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COCCOCOc1ccc(C)cc1B(O)O	383463818	NEXVQPILQRIONT-UHFFFAOYSA-N	240.064	-0.326	50	10	BBGE	
CN1CCN(CCC(C)(C)C(=O)NN)C1=O	395696778	FFSWANOABXHDFP-UHFFFAOYSA-N	228.296	-0.240	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@@H]1CO	395804443	HOKWAOAJOZZPSS-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CCOC(=O)c1cc(CCC#N)ccc1B(O)O	396135498	FKORGZJDEYAVTM-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
Cc1ncoc1C(=O)Nc1ccnc(B(O)O)c1	404993091	DLFMMOSREDNKIJ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)C(C)(C)CO	690901338	FXKYHQWCCHMNRI-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
N#CC1(O)CCN(C2(CC(=O)O)CNC2)CC1	692174703	DRAVVCJGRZVNHY-UHFFFAOYSA-N	239.275	-0.846	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(C#N)CC1	693913132	UHHGBAPPLUZRBA-VIFPVBQESA-N	226.280	-0.773	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CCN(C)C)C1)C(=O)NN	701448177	VQWYMMOVJADTSS-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](c2nccs2)C1	710597582	ZVXPQTDBXCDWCC-ZCFIWIBFSA-N	240.288	-0.551	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)C(=O)NN)C12CCC2	713152820	KRPSZFKHLMGAHZ-RQJHMYQMSA-N	227.264	-0.950	50	10	BBGE	
CC1(C)CCC[C@H](Cn2cc(B(O)O)cn2)O1	714350362	REDCVHXALKHIBK-SNVBAGLBSA-N	238.096	-0.089	50	10	BBGE	
CN(C)C[C@@H](Cl)CNS(=O)(=O)N(C)C	717297115	HAILFXMUBJURGL-ZETCQYMHSA-N	243.760	-0.449	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718261722	ZFQXMBIXINXMGO-BZNPZCIMSA-N	211.265	-0.915	50	10	BBGE	
NC(=O)NC[C]1SC=C[C@H]1B(O)O	725595979	ISZOAYBWYZRTIM-SCSAIBSYSA-N	201.036	-0.710	50	10	BBGE	
CC1(C(=O)NNC(=O)[C@H]2CCCO2)COC1	817213720	AGNGBUSCIJZZQL-SSDOTTSWSA-N	228.248	-0.651	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)nn1	855183944	KOKKLKZFKAPRMC-MRVPVSSYSA-N	249.274	-0.068	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@]1(N)CC1(F)F	870925065	CKSGFCSCTRAEBL-SSDOTTSWSA-N	236.222	-0.585	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1ccc(CO)nc1	1135309269	YXTNCLAOHZYQBQ-UHFFFAOYSA-N	235.243	-0.255	50	10	BBGE	
COC(=O)C(=O)NN=C1CCC[S@@](=O)CC1	1328535901	CKBFHVYJJSRJHU-MRXNPFEDSA-N	246.288	-0.436	50	10	BBGE	
CCc1noc(COCC(=O)NNC(C)=O)n1	1440722516	NHDFVKGUZVQQPQ-UHFFFAOYSA-N	242.235	-0.684	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccncn2)C1	1635933594	ARNRNWXKWCHCOG-SFYZADRCSA-N	249.274	-0.179	50	10	BBGE	
CCC(C)(C)[C@@H](O)C(=O)NNC(=O)CN(C)C	1648530549	ALYNQOVTHLRPLE-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
O=C1CNCCN1C(=O)C(Cl)Cl	1866331780	JUFBBQZCGQFUPR-UHFFFAOYSA-N	211.048	-0.252	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1O)[C@@H]1C[C@@H]1Cl	1877521634	VHNJHKXOYCNJGR-ULAWRXDQSA-N	218.684	-0.547	50	10	BBGE	
NC[C@H](OC[C@H]1C[C@H]1Br)C(N)=O	1881362771	MGKNKRKCQCPXRY-PBXRRBTRSA-N	237.097	-0.401	50	10	BBGE	
CNC(=O)CNC(=O)[C@H]1C[C@H]1Br	1881363763	ANFHENDZNOWWBZ-CRCLSJGQSA-N	235.081	-0.368	50	10	BBGE	
CN(C)CCN[C@H]1CS(=O)(=O)C[C@@H]1Cl	1885010047	OQNJLCQEOKPXDA-YUMQZZPRSA-N	240.756	-0.458	50	10	BBGE	
O=S(=O)(CCl)NCC1COCCOC1	1887271009	GZESHIVEEUIONZ-UHFFFAOYSA-N	243.712	-0.235	50	10	BBGE	
CNc1cc(B(O)O)c(C)c(C(=O)O)c1	1887551557	XKTBVFISYOQJEM-UHFFFAOYSA-N	209.010	-0.585	50	10	BBGE	
O=C(NC1(CCO)CNC1)[C@H]1C[C@H]1Cl	1893454215	UQONMGZCSPRLCK-NKWVEPMBSA-N	218.684	-0.546	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CCC1(CO)CO	1893470961	YGXNVBNGPIWIIM-RNFRBKRXSA-N	219.668	-0.431	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccsc1	1895112300	KGXNJZVNZKLALS-UHFFFAOYSA-N	209.035	-0.507	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@@H]1N=c1[nH]nc(CCl)o1	1895213170	TVVWRRHPMLKYEG-UJURSFKZSA-N	246.654	-0.715	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@]2(CO)CC[C@H]1C2	1900036522	UCGXEICEMJWWPW-WCABBAIRSA-N	227.308	-0.398	50	10	BBGE	
CC(C)N1CCN(C[C@H](C)C(=O)NN)C1=O	1901277088	ZTEHZOPGYJMGHF-QMMMGPOBSA-N	228.296	-0.242	50	10	BBGE	
C=C[C@H](N)C(=O)NN(C)S(=O)(=O)C1CCC1	1901342880	RXZZMKBXIKRMNU-QMMMGPOBSA-N	247.320	-0.655	50	10	BBGE	
Cc1scc(C(=O)N2CC(F)C2)c1B(O)O	1902866787	CDPYGSGVTMFDBH-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
CC(C)[C@H]1C[C@H](O)CN1C[C@@H](C)C(=O)NN	1903307740	PXFDIGROMAAXMV-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
Cc1noc(CN(C)C[C@@H]2C[C@H]2C(=O)NN)n1	1905861887	FQULBHVUSURVKI-JGVFFNPUSA-N	239.279	-0.564	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)CC(=O)NN	1906908689	QCCJIQKBHFZLRW-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
N#CC1=CCN([C@@H]2CS(=O)(=O)C[C@H]2N)CC1	1917076252	NEEUJTXCZIXEJJ-NXEZZACHSA-N	241.316	-0.734	50	10	BBGE	
CCC[C@@H]1CCN1[C@H](COC)C(=O)NN	1927992111	MMNHZKKHTHQKRY-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(CC(O)C2)C1	1928569669	KTMZIWRBQNPWEW-SSDOTTSWSA-N	213.281	-0.788	50	10	BBGE	
O=C1CCN1C[C@H](O)CBr	1928999801	QPAMXCLUWIIBDZ-RXMQYKEDSA-N	208.055	-0.026	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]1CO	1929740616	KMQWQIJEISPTLW-BIIVOSGPSA-N	201.270	-0.933	50	10	BBGE	
O=C(O)CCCCCC(=O)NNCCO	1933047333	ZIDORPWVEBZNDB-UHFFFAOYSA-N	218.253	-0.365	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H](O)CCO1	1933454670	PTIJLNLBONKDBP-BQBZGAKWSA-N	207.657	-0.119	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)CCN1C	1935944680	NNGQBVYBADJZRM-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
CC1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)CC1	1936094733	PMYXEIBLIFLULF-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](C2CC2)CC1	1936186550	UWKRZTVBSPPFBR-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)c1cncc(CN2CCNC2=O)c1	1940574134	OCPJNXXBPFCHAW-UHFFFAOYSA-N	235.247	-0.790	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCn2nccc2C1	1941184431	UIUYJTGYCFCFKQ-WPRPVWTQSA-N	235.291	-0.675	50	10	BBGE	
Cc1nnc(CN(C)[C@@H](C)CC(=O)NN)n1C	1943112296	XLJDIZJVINQRKP-ZETCQYMHSA-N	240.311	-0.676	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H](O)[C@H](F)C2)o1	1944309221	SLPCIXDBOWQDFZ-SFYZADRCSA-N	243.238	-0.602	50	10	BBGE	
COc1ncc(C[C@H](O)C#N)c(OC)n1	1952214912	TZXWIDKDUOYSGI-ZETCQYMHSA-N	209.205	-0.079	50	10	BBGE	
O[C@@H](CCl)CN1CC(n2cnnc2)C1	1956762060	XPDZDYGXNPBHLF-QMMMGPOBSA-N	216.672	-0.266	50	10	BBGE	
N#CC1(O)CCN(c2nc(=N)[nH]s2)CC1	1957600503	ASUHUNDZQALAHJ-UHFFFAOYSA-N	225.277	-0.194	50	10	BBGE	
CC(C)OC[C@H]1CCCN1CC(=O)NN	1958305394	HGBAIRQARKDQIV-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
CN(CCC(=O)NN)Cc1cccn1C	1961391343	QFPUSABXJDTNNR-UHFFFAOYSA-N	210.281	-0.163	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@@H]2C[C@H]2C(=O)NN)CO1	1961629281	OSCOESKXVNHYNT-RYPBNFRJSA-N	214.265	-0.194	50	10	BBGE	
OB(O)c1cnc(S[C@@H]2CCOC2)nc1	1961709382	XOVBCGHRLAYOLU-SSDOTTSWSA-N	226.066	-0.963	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(N(C)C2CC2)C1	1961821284	ZTTIDOWYXFKNPA-ZETCQYMHSA-N	212.297	-0.857	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H](CO)[C@H]2CC[C@@H]1C2	1975152965	RLGTZXVAQUUJLG-BZNPZCIMSA-N	213.281	-0.790	50	10	BBGE	
CC(C)[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976994236	HFLRHPJIJMNSLM-BQBZGAKWSA-N	231.057	-0.679	50	10	BBGE	
CC[C@H](C)n1cnc2c(B(O)O)ncnc21	1982867298	ZZCVHEOKKNVTCK-LURJTMIESA-N	220.041	-0.523	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC=C[C@@H]1CO	1983182519	YTVIGYSQHLFGTR-ZJUUUORDSA-N	227.308	-0.376	50	10	BBGE	
CC[C@@H](CO)N(C)CCC(F)(F)C(=O)NN	1984128437	OSVJZLNZLUZVGI-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@@H]1CNC(=O)O1	1987122147	YBXXDPNYVFSIBM-CRCLSJGQSA-N	249.654	-0.452	50	10	BBGE	
N=c1nc(CCl)nc(NC2(CO)COC2)[nH]1	1988279280	FQVHNZZBFQUNPH-UHFFFAOYSA-N	245.670	-0.804	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1	1988587349	GKXZNXXSWCTHIP-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
C[C@H](CC(=O)NCC#CB(O)O)C(F)(F)F	1992152742	HYAULDMTMIQXDD-ZCFIWIBFSA-N	236.986	-0.294	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]1(C)CSCCO1	1993432609	WCOVEVVQZQPSHW-JTQLQIEISA-N	247.364	-0.180	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1CC(F)C1	1996647632	PEUIVNSVZUNLLA-UHFFFAOYSA-N	238.027	-0.552	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1[C@H]2CCC[C@H]12	1998125245	GZBDPJPPZLTRJR-ACZMJKKPSA-N	241.052	-0.925	50	10	BBGE	
C[C@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C(C)(C)C	1998135849	UGOVVRMITUCYTL-RQJHMYQMSA-N	245.084	-0.289	50	10	BBGE	
Cc1nn(C[C@H]2C[C@H](C)CO2)c(C)c1B(O)O	2001600426	NVELTRHAKYPJQU-OIBJUYFYSA-N	238.096	-0.395	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC2(CCOCC2)C1	2002822178	IHIRMNVCPARFEO-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CC[C@@H](N)C2)CC1	2003479421	HLIXKAIMXQJGKI-LLVKDONJSA-N	234.303	-0.298	50	10	BBGE	
CCN([C@@H](C)CCC(=O)NN)[C@H]1CCNC1=O	2004314247	ODJQOEBLKFJRHF-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)[C@H]1CCNC1=O	2004314850	UKAJVDSXVPTQJI-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)nc1	2004911077	CBKPOVHJQWLEDR-NEPJDUFXSA-N	231.064	-0.999	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2COC[C@H]2C)n1	2004930833	XAAJCHBWRAWZTC-XCBNKYQSSA-N	237.064	-0.516	50	10	BBGE	
OB(O)c1cccnc1N1CC(CC2CC2)C1	2004935005	KFJTUASLQJRORW-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
COC(C)(C)CCOc1ccc(B(O)O)cn1	2004953661	XPGZCSKRLLLMOT-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(N2CCCCCC2)ncc1B(O)O	2004974222	HLXHJHNAYMKYDO-UHFFFAOYSA-N	235.096	-0.155	50	10	BBGE	
Cc1cc(Sc2nccn2C)ncc1B(O)O	2004989922	CHQYVNQEKVLTDN-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)CC1(C(=O)NN)CC1	2006201189	NEWQVNODDMIDDH-OWUUHHOZSA-N	239.319	-0.419	50	10	BBGE	
CCC(CC)OCn1cc(B(O)O)ccc1=O	2008839835	CUQAWOZFFDXDEI-UHFFFAOYSA-N	239.080	-0.309	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCOCCOC	2013417206	GTPUHPNWGBQNRE-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
COC[C@H](C)CCOc1ccncc1B(O)O	2014223113	BBZADBDVTGBOLJ-SECBINFHSA-N	239.080	-0.187	50	10	BBGE	
COC[C@H](OC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)NN	2016500003	MQUPKZUWOMSWEU-GFGKGUAGSA-N	240.303	-0.090	50	10	BBGE	
COC[C@@H](C(=O)NN)N(CC(C)C)C1COC1	2018189256	XOKSYLSGLBAJGF-JTQLQIEISA-N	245.323	-0.652	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)Cc1cnnn1C	2019940860	ICCMJNMCOGJSBQ-SECBINFHSA-N	240.311	-0.595	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H]2[C@@H]1CO	2021741945	ZBUHCOCDJFLKKS-JXUBOQSCSA-N	241.335	-0.296	50	10	BBGE	
Cc1cc(NC(=O)c2cocn2)ccc1B(O)O	2031815419	UKFNELOTPSOEQI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3CC[C@H](C2)O3)n1	2052623385	IOHATYFMILEWAC-AOOOYVTPSA-N	248.091	-0.563	50	10	BBGE	
CCc1c(B(O)O)ccc(C#N)c1C=O	2060237702	RFLLLQCEWVNBJK-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
COc1cc(B(O)O)c(OC)cc1C#N	2060290064	MKTPBLXUAQKMDR-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NNC(N)=S)O1	2209648155	VIWPFVIXZYODFB-NTSWFWBYSA-N	217.294	-0.192	50	10	BBGE	
NNC(=O)CN1CC[C@@H](OC(F)F)C1	2210026694	LAXMCEBNKCCHEM-RXMQYKEDSA-N	209.196	-0.710	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CSC3)C2)c1	2212614216	BORKAULZPRINSC-UHFFFAOYSA-N	236.105	-0.685	50	10	BBGE	
C[C@@H](N)C(C)(C)Oc1cc(B(O)O)ccn1	2212614262	UGYVZYHEUQTWNY-SSDOTTSWSA-N	224.069	-0.734	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)[C@H]1C[C@@H](O)C1	2214594216	DKFAFRJYJZTLOO-TXEJJXNPSA-N	235.092	-0.679	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN1CC1(C(=O)NN)CCCC1	2216883921	PDFVGQVPVWIZSF-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@H]1CC[C@H]1Nc1cc(B(O)O)ccn1	2217174477	ZRBHGVYDWIWWDR-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
CC[C@@H](CN=c1ccc(B(O)O)c[nH]1)COC	2217180736	VOZAYEFWDMQCCP-VIFPVBQESA-N	238.096	-0.732	50	10	BBGE	
Cc1cscc1CN=c1ncc(B(O)O)c[nH]1	2217201443	DVWROCAMQBMVKB-UHFFFAOYSA-N	249.104	-0.440	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CCOCC3)C2)c1	2223627330	MNEGTCFOCNTNRM-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
CN[C@H]1CC[C@@H](Nc2ncccc2B(O)O)CC1	2223633821	BNPIMRHXNVEYAH-AOOOYVTPSA-N	249.123	-0.296	50	10	BBGE	
Cc1cnc(NC[C@H]2CN[C@@H](C)C2)cc1B(O)O	2223641384	TWKLJMDZQBBLDF-VHSXEESVSA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCCNC[C@H]2C3)nc1	2223647670	ZMQREOYHZQQFIG-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(OC[C@@H]2NC[C@H]3C[C@@H]32)cc1B(O)O	2223649240	VXQMLCYSJDJCTF-YWVKMMECSA-N	248.091	-0.943	50	10	BBGE	
C[C@@H]1CCNC[C@H]1N(C)c1ccc(B(O)O)cn1	2223650411	MBTNILYLOGCADU-MWLCHTKSSA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1cccnc1NCc1cccnc1O	2223666427	MEWHXSBGIBHFSI-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@]23CCCO3)nc1	2223666720	KZEUHNWSXBLWAS-MWLCHTKSSA-N	249.079	-0.720	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2Cl)C[C@H]1O	2241857173	HKWRSWMBVFYEPO-ZXVYDBTHSA-N	219.668	-0.122	50	10	BBGE	
CN(C)NC(=O)NC12COC(C(=O)O)(C1)C2	2243104963	VSVJRDKKEJRJTI-UHFFFAOYSA-N	229.236	-0.852	50	10	BBGE	
O=C(c1nscc1B(O)O)N1CC[C@H]2C[C@H]21	2243349257	IOOCOVVUDFQAIF-CAHLUQPWSA-N	238.077	-0.943	50	10	BBGE	
C[C@H](CNC(=O)C1(B(O)O)CC1)CN(C)C	2243366124	XOVAHMRLZQCBFI-MRVPVSSYSA-N	228.101	-0.693	50	10	BBGE	
NC[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243392479	UOKLHFOTOYZOPA-AFPNSQJFSA-N	226.085	-0.953	50	10	BBGE	
Cc1ncc(CNC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243396683	PMQHAMDSNHLBLY-YUMQZZPRSA-N	240.093	-0.069	50	10	BBGE	
CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2243400645	FOXZMHVZUJZTQN-OWUUHHOZSA-N	221.065	-0.494	50	10	BBGE	
CC(C)(F)[C@](C)(F)CNC(=O)C#CB(O)O	2243400812	IBNAVYBMUNYROZ-SECBINFHSA-N	233.023	-0.406	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1csnc1B(O)O	2243412431	MRGUNKPVDAYNBN-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cocc1B(O)O	2244211614	JCVVYWNYNXJEIB-ZETCQYMHSA-N	221.021	-0.899	50	10	BBGE	
O=C(NC12COCC(C1)C2)C1(B(O)O)CC1	2245062304	YQNLEFWVQAFCHR-UHFFFAOYSA-N	225.053	-0.711	50	10	BBGE	
COc1ccc(B(O)O)c(-n2ccc(C)n2)n1	2247151545	FKEWFMCNTQZRJK-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
CC(C)[C@H]1COCCN1C(=O)C1(B(O)O)CC1	2247749846	ALIAVSSOEHJRII-SECBINFHSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1ncc(B(O)O)cc1F	2247750395	IXVRDPWYYLUEMK-ZCFIWIBFSA-N	238.027	-0.865	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@H]1CCCOC1	2247750927	PZCBAGJUFDVAQB-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccc(F)c(B(O)O)c1	2247752499	QNTSLDPUMGDXNV-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
CCON(C)C(=O)c1ccc(C)c(B(O)O)c1	2247761177	RYXVTMCEWADEHK-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
CCN(C(=O)c1n[nH]cc1B(O)O)C(C)(C)C	2247781765	OAIGJFVHCAXMJE-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC[C@H]1O	2247786202	XMTVOSXCOIOZCE-LOKLDPHHSA-N	241.096	-0.341	50	10	BBGE	
NC[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790655	IMYGUGWHBOXQME-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]2CC[C@H](C1)O2	2247841946	NBJXMJQFEKPTNN-OWUUHHOZSA-N	237.064	-0.924	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccc(B(O)O)o1	2247847581	ZCDITDAQGQTNSI-QMMMGPOBSA-N	235.048	-0.509	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCCC[C@H]21)C1(B(O)O)CC1	2247871751	HGYGBVYDBHFJLJ-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(C(=O)C2(B(O)O)CC2)C1	2247872032	LNRWZZKTKGNRFE-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
C[C@H]1CCC[C@@H](CN)N1C(=O)C1(B(O)O)CC1	2247873793	LZRFTGMSFIFWSR-IUCAKERBSA-N	240.112	-0.278	50	10	BBGE	
COC1(OC)CC[C@H]1NC(=O)C1(B(O)O)CC1	2247874613	NNQLTZWEKAHLHS-SSDOTTSWSA-N	243.068	-0.739	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)oc1B(O)O	2247890370	LGILFFCAFJUQEL-JGVFFNPUSA-N	237.064	-0.252	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)C1CC(B(O)O)C1	2247893854	ZMBUEBPERNEDCR-XVLZHWOZSA-N	241.096	-0.077	50	10	BBGE	
COCC[C@H](COC)NC(=O)[C@@H]1C[C@H]1B(O)O	2247894735	KHCPBIHWXIEGQX-IWSPIJDZSA-N	245.084	-0.983	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247897653	VRYSDBSWYPOUTK-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
CC(C)(C)[C@H](CC(=O)O)NC(=O)C#CB(O)O	2248585852	RFXWESNIMILRHS-ZETCQYMHSA-N	241.052	-0.993	50	10	BBGE	
O=C(NCCCCCF)c1cocc1B(O)O	2249410763	OGRBWMVURLAJIH-UHFFFAOYSA-N	243.043	-0.171	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)[C@@H]1C	2249417064	ADRGZFKJOBENLW-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
CC(C)CN(C[C@H](C)O)C[C@@H]1C[C@@H]1C(=O)NN	2250542265	GLBWXJDIUVMNEI-DCAQKATOSA-N	243.351	-0.049	50	10	BBGE	
C#CC[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2255460368	SMHIAZLMIHPMJG-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1cc(B(O)O)c[nH]1	2255462849	AUCRALGSHCPLRH-RKDXNWHRSA-N	248.091	-0.387	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1cccc(B(O)O)c1F	2255497991	KZYLSSOJVIGTFF-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C#CC1CN(C(=O)c2cc(F)ccc2B(O)O)C1	2255501644	ROOHBKHZBWZRJN-UHFFFAOYSA-N	247.034	-0.789	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cncc(B(O)O)c1	2255521737	ZXCWDAJEEMTVDO-AKZRSSKFSA-N	246.075	-0.710	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1CC12CC2	2255678162	OEMZTUCNAFRZLC-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H]2C[C@H]2C)n1	2255724923	JGXNHDGAJXCQPQ-APPZFPTMSA-N	248.091	-0.544	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3coc(B(O)O)c3)[C@H]1C2	2255729738	ZZLQHMUQARWTEW-KBVBSXBZSA-N	249.075	-0.122	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cc(B(O)O)cn1C	2255736274	KAYVDFFNVJOZSO-UHFFFAOYSA-N	248.091	-0.763	50	10	BBGE	
Cc1cccc(C(=O)N2C[C@@H]3C[C@H]3C2)c1B(O)O	2255736803	TWKSVZUREKNTSC-UWVGGRQHSA-N	245.087	-0.233	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1C[C@@H](C)[C@@H]1C	2257494475	ZBNCUXXKYPKSDP-BDAKNGLRSA-N	248.091	-0.450	50	10	BBGE	
Cc1ccoc1CNC(=O)c1cc(B(O)O)co1	2258137728	AFGMXJYSFGZKEI-UHFFFAOYSA-N	249.031	-0.209	50	10	BBGE	
CC1(C)[C@@H]2C[C@@H]2CN1C(=O)c1cc(B(O)O)co1	2258139949	ZWHSRHBJXSDSMC-VXNVDRBHSA-N	249.075	-0.170	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375359	GZENEMNNNUQUPY-RGOKHQFPSA-N	241.096	-0.267	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN(C[C@@H](C)C(=O)NN)C2	2299132132	QAAXQYGTLKGENX-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC[C@@H]1C[C@@H]1C(=O)NN	2300370831	NHKOXMPWOVYUJL-ZRUFSTJUSA-N	241.335	-0.152	50	10	BBGE	
CC(C)=C(CN1C[C@H]2C[C@H]1CN(C)C2)B(O)O	2301965145	QAXINHGFPICQHA-QWRGUYRKSA-N	238.140	-0.029	50	10	BBGE	
C[C@@H]1C[C@H]2C[C@](C(=O)NCC=CB(O)O)(C2)O1	2303187077	ARHTUFATLQCZHZ-KKZNHRDASA-N	239.080	-0.372	50	10	BBGE	
CC[C@@](C)(CN1CCOC[C@H](O)C1)C(=O)NN	2303424877	WRKZNWGZDRMQGF-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](N)[C@@](C)(C(=O)O)N1CCC(O)(C#N)CC1	2305445961	DOBDOQYKZPXEIF-WPRPVWTQSA-N	241.291	-0.473	50	10	BBGE	
NNC(=O)CCCN(CCO)C1CCOCC1	2307937065	SCRSHSQBZWCSJT-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1c1ccc(B(O)O)cc1C#N	2317163243	WSGMFIHFMSAOMZ-LDYMZIIASA-N	245.091	-0.836	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cc2C#N)CN1	2317163644	YRILGWPBYLSSAD-LDYMZIIASA-N	245.091	-0.600	50	10	BBGE	
N[C@@H]1CCC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317350615	WALPXPMDRUVPTJ-VXGBXAGGSA-N	248.091	-0.529	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1ccc(F)cc1	49503150	XCSFUUIAIVFZKF-ZCFIWIBFSA-N	225.223	-0.007	50	10	BBGE	
Cc1nc(CNC(=O)C(=O)NN)cs1	49540307	MYNSFVPGUPFZIC-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
NNC(=O)CCCN1CCCNCC1	82470530	BRBXVPNXURLCJS-UHFFFAOYSA-N	200.286	-0.948	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)NCN=C=O	170294023	FZMKDSRHFPZEAJ-UHFFFAOYSA-N	215.209	-0.470	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCCO1	171254304	ZNFRCOZSOZTVTF-SCSAIBSYSA-N	226.154	-0.125	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)CCO1	199005963	HETLXCJMUGLZFJ-JTQLQIEISA-N	235.092	-0.413	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1B(O)O	205212659	MDMCBELABOQWEC-AEJSXWLSSA-N	240.112	-0.493	50	10	BBGE	
CC(=O)NC1CCN([C@H](C)CC(=O)NN)CC1	228341104	SOGGVWVLYPNESL-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
CO[C@]1(C)CCCN(CCC(=O)NN)C1	230294362	HXIYDRILBOJTDJ-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
O=C1NC[C@@H]2[C@@H]1CCCN2C[C@@H](O)CCl	232297962	DTFSPDQLZLBXHJ-XHNCKOQMSA-N	232.711	-0.204	50	10	BBGE	
C[C@@H]1CN(C)CCCN1CCCC(=O)NN	235336876	SVXBSFDOKZEHDL-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
COc1c(B(O)O)cnc2ncccc12	238437108	YPYJWILAEPHEQE-UHFFFAOYSA-N	203.994	-0.682	50	10	BBGE	
Cc1nccc(Br)c1B(O)O	238487589	HPWPHSYJJYWUMB-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
NNC(=O)CNC(=O)CCc1ccco1	238657293	AHGFDLHKXYHXGQ-UHFFFAOYSA-N	211.221	-0.682	50	10	BBGE	
C[C@@H](CN(C)C[C@H]1CCCO1)C(=O)NN	251113655	PMQJIOWYJOGVFS-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CCN(CCCC(=O)NN)[C@H]1CO	299903305	AZMGTTXEIZJFJM-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
Nc1cc2cc(N)c(B(O)O)cc2s1	307056308	VAUAJWKMFDQRHW-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CO[C@H](C/C(C)=N/NC(N)=O)OC(C)=O	308671247	DHYQSTIGDHPBKN-OYSUNCFMSA-N	217.225	-0.044	50	10	BBGE	
NC1(C(=O)NNC(=O)C2CC2)CCCC1	308829394	IYMFZLUQYRGFJV-UHFFFAOYSA-N	211.265	-0.185	50	10	BBGE	
Cc1nc(C)c(CNC(=O)C(=O)NN)s1	309006068	PVVAQBHUNSYOOP-UHFFFAOYSA-N	228.277	-0.634	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[S@@](=O)CC1	321867230	KDTGTCOFQLJNRN-XXFAHNHDSA-N	247.364	-0.545	50	10	BBGE	
COC[C@@H](C)CN(C)C[C@@H](C)C(=O)NN	380115549	PIEYMJQCHAOBST-DTWKUNHWSA-N	217.313	-0.173	50	10	BBGE	
CCS[C@H]1CCN(CC(=O)NN)C1	382887321	GYSIEJAJLGHOOZ-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
CCN1CCC(N2CC(=O)OC(=O)C2)CC1	387561199	XUHBDWZTMIUZOS-UHFFFAOYSA-N	226.276	-0.144	50	10	BBGE	
CC1(C)CCC[C@@H]1CNC(=O)C(=O)NN	389577787	XLDBVJLBHYRMGC-SSDOTTSWSA-N	213.281	-0.081	50	10	BBGE	
COC1CN(CCC(C)(C)C(=O)NN)C1	395613513	LJOFJRKZUYPAMV-UHFFFAOYSA-N	215.297	-0.277	50	10	BBGE	
Cn1nnnc1S[C@H](C(=O)NN)C(C)(C)C	395663447	DXAJPLIPIYUFAZ-RXMQYKEDSA-N	244.324	-0.293	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@H](C(=O)NN)O2)C1=O	399648996	ZBXPTZHMNKNAHE-IWSPIJDZSA-N	241.291	-0.608	50	10	BBGE	
CN1CCC[C@@H](C(=O)NNC(N)=S)C1	606285002	YDJKIZYXBSHCCJ-ZCFIWIBFSA-N	216.310	-0.807	50	10	BBGE	
CN1CCN(S(C)(=O)=O)C[C@@H]1CCl	687613321	NQXJDMXVNWRALD-ZETCQYMHSA-N	226.729	-0.199	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@](C)(CO)C1	688028694	ZTZBBBHEIUDXCQ-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
O=C1CN(C[C@@H]2CCN2C2CC2)CC(=O)O1	691721137	LLIIZBVVTLWYJE-VIFPVBQESA-N	224.260	-0.392	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](C#N)C1	693907942	QYLAOJCBCSPTEG-DTWKUNHWSA-N	210.281	-0.010	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCNC(=O)[C@H]1C	695104090	OGMNWDICYIJFST-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2CC[C@@H](C2)C1=O	700093691	HZCNKHLFNACQKR-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
CC1CCC(NC(=O)NCB(O)O)CC1	705890242	WBWRXLOSGPAOSD-UHFFFAOYSA-N	214.074	-0.124	50	10	BBGE	
Cc1cccc([N+](=O)[O-])c1C(=O)NCB(O)O	706432381	XCJHZOGCUXIEKG-UHFFFAOYSA-N	238.008	-0.355	50	10	BBGE	
C[C@H](O)[C@@H](O)CNc1nc(N)nc(CCl)n1	717375971	KWJAXVGXJQECBH-WHFBIAKZSA-N	247.686	-0.654	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@@H](O2)C1=O	719391700	IAPIXTUAJRGXDE-DTWKUNHWSA-N	241.291	-0.464	50	10	BBGE	
COC(=O)[C@H]1C=C(B(O)O)S[C]1C	725593489	QUXSHVXGDDCUAF-YFKPBYRVSA-N	201.032	-0.030	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H](O)C1CCOCC1	740738330	FVDNVKJIZYCKEY-SECBINFHSA-N	244.291	-0.423	50	10	BBGE	
NC(=O)[C@@H]1CCN1C(=O)CBr	757151155	XDLCVPAZERHSKJ-BYPYZUCNSA-N	221.054	-0.533	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1COCCO1	769008929	MQKNCHLSIRSVRB-FXQIFTODSA-N	228.248	-0.795	50	10	BBGE	
O=C(CO)NNC(=O)NCc1ccccc1	787589264	SWKWDHMCDHGJIT-UHFFFAOYSA-N	223.232	-0.491	50	10	BBGE	
CSCCNC(=O)NNC(=O)[C@H]1CCCO1	854244620	MOHVVENMARYPKQ-SSDOTTSWSA-N	247.320	-0.141	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn(C)nn1	855192359	NIRJFVHCAVJCMK-RNFRBKRXSA-N	237.263	-0.378	50	10	BBGE	
CCCOCC(=O)NNc1nnc(C)n1C	856050106	IRUSZYZSMWXEFU-UHFFFAOYSA-N	227.268	-0.007	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NN(C)C(N)=O)C1	897278302	RHPYKVVDAHAQMY-NTSWFWBYSA-N	201.226	-0.547	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1cnccn1	1136448280	AGENKAZTVYXSLK-UHFFFAOYSA-N	237.263	-0.288	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1ncon1	1253786727	JIIWDDUEKXOCOX-RFZPGFLSSA-N	225.208	-0.578	50	10	BBGE	
CC(=O)NNC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3	1346141347	MCZVIFNGEFODGY-LITAXDCLSA-N	237.259	-0.932	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCN1CC	1543985693	NAHXJRVQCCXFPL-SSDOTTSWSA-N	214.269	-0.569	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H](C)CCN(C)C	1631193504	BWLAPEYJRDHXMR-QMMMGPOBSA-N	230.312	-0.076	50	10	BBGE	
O=C(NC1CNC1)[C@H]1C[C@@H]1Br	1880435263	ZWYCPTGOIGZUHD-WDSKDSINSA-N	219.082	-0.142	50	10	BBGE	
NC[C@@H](O)C(=O)N[C@H]1C[C@@H](Br)C1	1880965538	ZCLBTEXWDCMAJC-NGJCXOISSA-N	237.097	-0.652	50	10	BBGE	
CC(C)(CC(F)F)NC(=O)C(=O)NN	1888267667	RZBHXYYFTATDHO-UHFFFAOYSA-N	209.196	-0.474	50	10	BBGE	
C[C@H](CCl)CN1CCNC(=O)C1=O	1891994170	MIJACSFGAJYARG-ZCFIWIBFSA-N	204.657	-0.180	50	10	BBGE	
NC1(C(=O)NC[C@H]2C[C@@H]2Cl)CC(O)C1	1893109128	XHVHNKLYPJSCHH-UBDASKFYSA-N	218.684	-0.418	50	10	BBGE	
O=C(NC1(C(=O)O)CNC1)[C@H]1C[C@H]1Cl	1893452794	IMMJQCXPQMRHMP-CRCLSJGQSA-N	218.640	-0.844	50	10	BBGE	
CCc1cc(=O)n([C@H](C)CC(=O)NN)cn1	1894131093	MAIIVYGHCMEIIM-SSDOTTSWSA-N	224.264	-0.253	50	10	BBGE	
C[C@H]1C[C@H](C)C1Nc1ncc(B(O)O)cn1	1901155524	BUEPANWUXBCLTI-BQBZGAKWSA-N	221.069	-0.387	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H](C)C(N)=O	1901753430	VKDHHHBVCVYUMR-HTQZYQBOSA-N	230.312	-0.659	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@]23CCOC[C@@H]2C3)C1	1902506351	RVLUDAYGTTXLEQ-AXFHLTTASA-N	225.097	-0.038	50	10	BBGE	
O=C1N[C@@H]2CCC[C@@H]2N(C[C@H](O)CCl)C1=O	1902678672	UGPLJKVZIINCOD-PRJMDXOYSA-N	246.694	-0.534	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@]2(CO)C1	1906326948	MRJPOTGLDLCVBS-CMPLNLGQSA-N	241.335	-0.149	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)[C@H]1C[C@H](O)C1	1908358463	NMZVCDFGCHNXCB-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CC[C@H]2CF)O1	1909808153	KLEWGDXAHUFHGQ-AEJSXWLSSA-N	245.298	-0.042	50	10	BBGE	
CC1(C(N)=O)CN(C(=O)NC(=O)CCl)C1	1914232872	WTUOJWRGZRJCST-UHFFFAOYSA-N	233.655	-0.731	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCCC(=O)NN	1914260179	ALAMIRKDIFOKLF-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C12CCC2	1914396152	KWLDWHVCXYLLRO-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC1(O)CCC1	1914572394	ZNCFWTNHBWMLHW-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
COCC[S@@](C)(=O)=N[C@H](C)C(=O)NN	1918071535	GFVJKGNAQYCKTO-RWBAJPLHSA-N	223.298	-0.891	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CCN1Cc1ccccc1	1923836121	SEJDWDCTUHBPQI-JTQLQIEISA-N	248.286	-0.040	50	10	BBGE	
NNC(=O)C(=O)Nc1cccc(CO)c1	1924900095	CVKWRXXSLUPFQQ-UHFFFAOYSA-N	209.205	-0.893	50	10	BBGE	
C[C@H]1CCC(=O)N1CC(F)(F)C(=O)NN	1927815818	BXURIUUHJJKPRH-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)CCO1	1927816029	GQMORXPTMFUYQT-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
Cn1nnnc1CN(N)C(=O)OC(C)(C)C	1930121871	XANIPMCHRVVRRL-UHFFFAOYSA-N	228.256	-0.179	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@H]1CCS1(=O)=O	1930859336	MYEIFEITNMFDDY-PHDIDXHHSA-N	225.697	-0.083	50	10	BBGE	
O=C(CCCl)NC[C@H]1COC[C@@H]1O	1933390465	WPCMCUHLSOXOJJ-BQBZGAKWSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NNC(N)=S)C2	1935033205	IMJBGMQOAMUOFU-YJTWSPLVSA-N	229.305	-0.192	50	10	BBGE	
Cc1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c(=O)c1	1936086261	XWJCEIDJPIOBFH-IUCAKERBSA-N	221.260	-0.217	50	10	BBGE	
CC(=O)c1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1936089358	BHWIKSZKCPUHEH-IONNQARKSA-N	222.248	-0.288	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)CCO1	1936093092	AREYNLKQYHUSRZ-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CO[C@H]1C[C@H](N(C)C(=O)C(=O)NN)C1(C)C	1939566277	INTSQLFFCYUVGT-BQBZGAKWSA-N	229.280	-0.752	50	10	BBGE	
CN(Cc1nccn1C)CC1(C(=O)NN)CC1	1945894186	UDVQHOXEVWVXRV-UHFFFAOYSA-N	237.307	-0.378	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC2)C[C@@H]1CO	1949696447	DGGWDRMDQMCJIG-SSDOTTSWSA-N	249.261	-0.542	50	10	BBGE	
C[C@H]1C[C@@H](O)CCN(CC(=O)NN)C1	1955411794	SQKKCTGRQKTVQH-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
NC(=O)[C@H]1CCCCN1C[C@@H](O)CCl	1956255680	CCVWAGLHKHUHEX-JGVFFNPUSA-N	220.700	-0.074	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NNC(N)=O)C1	1957319398	VBOYLGVECCSTKL-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2C=C[C@H]1C2)C(=O)NN	1958753833	OTZLTAYUJDOHDR-CSMHCCOUSA-N	209.249	-0.601	50	10	BBGE	
NNC(=O)CN1C(=O)[C@H]2CCCCC[C@@H]21	1961294550	YDWGPIBWTKCTMT-YUMQZZPRSA-N	211.265	-0.233	50	10	BBGE	
Cc1nc(N2CC[C@@H]2C)ccc1B(O)O	1961717909	HZBJVHPYZJHTLE-ZETCQYMHSA-N	206.054	-0.332	50	10	BBGE	
CN(C)NC(=O)N[C@H]1COCC[C@H]1C(=O)O	1976214351	QIOXOOOWAPUXKL-RQJHMYQMSA-N	231.252	-0.748	50	10	BBGE	
OB(O)c1cnc(N2CC(C3CC3)C2)nc1	1981414650	UTVLNLSESATZFO-UHFFFAOYSA-N	219.053	-0.997	50	10	BBGE	
O=C1C(=O)N(C2CC2)CCN1C[C@@H](O)CCl	1986913360	MTRAYHOMLYGUCH-QMMMGPOBSA-N	246.694	-0.581	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC(C)(C)C(=O)NN	1990039560	RUVPELHBNYKUPU-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN(c1ncncc1B(O)O)C1(C)CCC1	1990277902	SEJLXSYWCDANQX-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
O=C1NCC[C@@H]1CN=c1[nH]nc(CCCl)o1	1991281987	IINYHDSYUSCAOC-ZCFIWIBFSA-N	244.682	-0.179	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)NC1(C(=O)O)COC1	1991437867	INOWVSVIGCTDFL-WDSKDSINSA-N	248.666	-0.234	50	10	BBGE	
O=C(NCC1(C(=O)O)CC(O)C1)[C@H]1C[C@@H]1Cl	1991683015	PFGCSSPPQGBKSF-HTYJUZMNSA-N	247.678	-0.044	50	10	BBGE	
OB(O)c1csc(O[C@@H]2CCOC[C@@H]2F)n1	1991729452	WWPRYTSCGIADOZ-NTSWFWBYSA-N	247.056	-0.671	50	10	BBGE	
O=C(CCc1ccco1)NCC#CB(O)O	1992147158	ZRLCYQGLFDBRNO-UHFFFAOYSA-N	221.021	-0.656	50	10	BBGE	
C=C(CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1)B(O)O	1992167482	LGJIKTQAPCWGHT-IUCAKERBSA-N	247.125	-0.938	50	10	BBGE	
CC(C)C1(Cn2ccc(B(O)O)n2)COC1	1992289542	XNXUXJMNUJESRY-UHFFFAOYSA-N	224.069	-0.765	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCC[C@@]2(CO)C1	1997169065	AQIHYJMEPWKTCY-JQWIXIFHSA-N	241.335	-0.149	50	10	BBGE	
COC[C@@]12C[C@@H]1CN(CC(C)(C)C(=O)NN)C2	2001049180	LHLCMDVDTVSTIV-SKDRFNHKSA-N	241.335	-0.029	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2001838114	ZJUKEQYIJWFXPB-JXVKQMKBSA-N	239.319	-0.423	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](CN2CCCC2)C1	2003928063	DUCXBDMVJWAMQZ-NSHDSACASA-N	240.351	-0.216	50	10	BBGE	
CC(C)(CCN1CC[C@@H]2C[C@@]2(O)C1)C(=O)NN	2004192695	ZTZVQRZSODMDKS-BXKDBHETSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CC(F)C2)C1	2004915543	AAVKIGKQJKVLIN-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
Cc1ncnc(O[C@@H]2CO[C@@H](C)C2)c1B(O)O	2004925022	KSUNTCQXPMPJNH-XPUUQOCRSA-N	238.052	-0.979	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1CCCOC1	2004953344	WJOZJLSWVPDWIK-SECBINFHSA-N	237.064	-0.433	50	10	BBGE	
Cc1nc(N2CC[C@H]2C(F)F)ncc1B(O)O	2004971566	SLGXDRKBRKLWHA-ZETCQYMHSA-N	243.022	-0.691	50	10	BBGE	
COc1cccc([C@H](C)NC(=O)C(=O)NN)c1	2006786654	HXWHXPQEUOZEEP-ZETCQYMHSA-N	237.259	-0.138	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](O)C2)cn1	2007740262	GKVBVLFFVHSKOA-SECBINFHSA-N	236.275	-0.748	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C[C@H]1CC[C@H](C(=O)NN)C1	2011152710	CMAVPEYDCDUYNI-NAKRPEOUSA-N	241.335	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012897250	ALRKAIFYTLPELJ-ZDCRXTMVSA-N	241.335	-0.296	50	10	BBGE	
CC(C)(CN1CC[C@@H](C2(O)CC2)C1)C(=O)NN	2013928386	PZNRMAUDLZLGDW-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	2016080888	QGXCBBAIPLZQGU-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]12C[C@@H](CF)C2	2019207110	CBASHEXASNPDTA-HOMQSWHASA-N	243.282	-0.022	50	10	BBGE	
C=C1CON(CCOc2cccc(B(O)O)c2)C1	2032262853	VKTPQWHIDLXZOH-UHFFFAOYSA-N	249.075	-0.451	50	10	BBGE	
CN(C)C[C@@H]1CCN1Cc1cccc(B(O)O)c1	2042726814	VLSMDPDYKZWNLI-ZDUSSCGKSA-N	248.135	-0.498	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CC1)c1ncncc1B(O)O	2052467252	OMDAKSFONJJDSO-VHSXEESVSA-N	247.107	-0.361	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C(C)C)C2)c1B(O)O	2052553347	GNROOASYKNWDRD-JTQLQIEISA-N	249.123	-0.053	50	10	BBGE	
Cc1cc(C)n(-c2nc(C)nc(C)c2B(O)O)n1	2052607987	CTOSOBGPKRYLDO-UHFFFAOYSA-N	246.079	-0.424	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)ccc1B(O)O	2053735453	LPPBJZATVOBBHQ-UXCLJVHYSA-N	244.103	-0.086	50	10	BBGE	
OB(O)c1ccc(CN2CC(F)C2)s1	2209685839	INGATTNBMVMFLK-UHFFFAOYSA-N	215.058	-0.418	50	10	BBGE	
NNC(=O)C1(CN2CCC2=O)CCOCC1	2212443725	VXWYZTYUCDSWDF-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
C#C[C@@H](CC)Oc1nccc(B(O)O)c1F	2212605732	JGKYSMSPLZHASP-ZETCQYMHSA-N	223.012	-0.309	50	10	BBGE	
CC[C@](C)(N)COc1cc(B(O)O)ccn1	2212608446	JPOLPYYWNLLFPX-JTQLQIEISA-N	224.069	-0.732	50	10	BBGE	
C[C@@H]1CSC[C@H]1Nc1cc(B(O)O)ccn1	2212611025	SVBHJIBHWSYEHL-VXNVDRBHSA-N	238.121	-0.075	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)CC(=O)NNC(C)=O	2214966046	YFZVPMIEHARHDO-NXEZZACHSA-N	243.307	-0.490	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H](O)C2(CC2)C1	2215770513	CCJLVWIXFVDJKZ-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
CCC[C@H](CN)Nc1nccc(B(O)O)c1F	2217182581	BLLMOYALDHRZEG-SSDOTTSWSA-N	241.075	-0.560	50	10	BBGE	
C[C@H]1CC[C@H](N)CN1c1ccc(B(O)O)cn1	2217199468	MNPKGYREZKQRCE-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cn1)C(C)(C)O	2217199523	DAABRXDPCHCPNH-VIFPVBQESA-N	238.096	-0.277	50	10	BBGE	
CC12CC(Nc3ccc(B(O)O)cn3)(CO1)C2	2217200232	RSEGUQILNPJRRR-UHFFFAOYSA-N	234.064	-0.505	50	10	BBGE	
OB(O)c1ccc(=NCC2C[C@H]3C[C@@H]3C2)[nH]c1	2217202545	KUWNDBBAMMBPOS-UWVGGRQHSA-N	232.092	-0.359	50	10	BBGE	
O=[N+]([O-])c1cnn(Cc2cccc(B(O)O)c2)c1	2220067969	WQEUVMOUARCKFR-UHFFFAOYSA-N	247.019	-0.481	50	10	BBGE	
N#C[C@@H]1CCCN(c2nccc(B(O)O)c2F)C1	2223644430	IZLZLWYAFQXRGV-QMMMGPOBSA-N	249.054	-0.360	50	10	BBGE	
Cc1cnc(N2CC[C@H]2CN(C)C)cc1B(O)O	2223650158	IXOZNFZCCRQLTA-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
CC[C@@H]1CC[C@H](Nc2ncccc2B(O)O)CN1	2223672240	ACYXTVPGLFWNHI-ZJUUUORDSA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CC[C@@]23CCCO3)nc1	2223674387	PFPRYSGMOXLMIX-JQWIXIFHSA-N	248.091	-0.115	50	10	BBGE	
NC[C@@H]1CO[C@@H]2CN(C(=O)F)C[C@H]2O1	2241301059	RGUPSPMZEYXDNA-FSDSQADBSA-N	204.201	-0.497	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=N[C@H]1C[C@H](Cl)C1	2241663761	JAPMNLIQARDPSC-URHBZAFASA-N	201.661	-0.169	50	10	BBGE	
NCC[C@@H](O)C(=O)NC[C@@H]1C[C@H]1Cl	2241999810	NCBYODLQCBWPIY-RRKCRQDMSA-N	206.673	-0.560	50	10	BBGE	
C=CCCNC(=O)c1ccncc1B(O)O	2243348953	CNCHSYKABNJUGA-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
O=C(NCC1CCC1)c1cc(B(O)O)c[nH]1	2243356136	BSQXWJODOIEORP-UHFFFAOYSA-N	222.053	-0.776	50	10	BBGE	
O=C(NOCC1CC1)c1csc(B(O)O)c1	2243357678	ZZMUJDAZAMGHEM-UHFFFAOYSA-N	241.077	-0.501	50	10	BBGE	
COC(C)(C)CN(C)C(=O)C1(B(O)O)CC1	2243365771	RXHPBBFFTMVCKO-UHFFFAOYSA-N	229.085	-0.123	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)cs1	2243386247	XCAPCBIKIDITAO-SSDOTTSWSA-N	239.105	-0.020	50	10	BBGE	
Cc1n[nH]cc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392933	YEPQKYPZBAASRE-LJGSYFOKSA-N	223.041	-0.090	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@@H]2B(O)O)s1	2243397022	UKTLERHOXGQQDL-BQBZGAKWSA-N	240.093	-0.069	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)C#CB(O)O)C[C@H]1C	2243399047	JMBFKLJGFZDUHB-OPRDCNLKSA-N	223.081	-0.057	50	10	BBGE	
CC[C@H](O)CCNC(=O)C1(B(O)O)CCC1	2243399091	WKTIYSHRDWMHCC-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
O=C(NCCF)c1ccc(B(O)O)cc1F	2243399385	ZUFUXUJZNHSHDK-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)C#CB(O)O)CC1	2243400453	BHOSYXMYPSCYLB-MGCOHNPYSA-N	223.081	-0.056	50	10	BBGE	
CC(C)C1(CN(C)C(=O)C#CB(O)O)CC1	2243401759	WFYHZEIQHKNLHB-UHFFFAOYSA-N	223.081	-0.104	50	10	BBGE	
COCC1(N(C)C(=O)C2(B(O)O)CC2)CC1	2243410918	KGEFBOPUGPQUIG-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243426129	FHSFQYRBLMMQRR-XKSSXDPKSA-N	229.085	-0.483	50	10	BBGE	
CC#CC(=O)Nc1cccc(B(O)O)c1F	2243678520	KMKAVJMGXOUQIO-UHFFFAOYSA-N	220.996	-0.533	50	10	BBGE	
Cc1nnc(CN2CCC(B(O)O)CC2)o1	2244180052	JONYSLGZXNRDCQ-UHFFFAOYSA-N	225.057	-0.183	50	10	BBGE	
N[C@@H]1CC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2244710590	HZGBDBMDWVPVEO-XSPKLOCKSA-N	226.085	-0.907	50	10	BBGE	
COC[C@H](SC[C@@H]1NCC[C@H]1C)C(=O)NN	2245080455	DHKJJULRNUKINR-VGMNWLOBSA-N	247.364	-0.278	50	10	BBGE	
C[C@@H](N)CN(C)c1cc(B(O)O)c(Cl)cn1	2245913651	VLIUDPZRBORCRY-ZCFIWIBFSA-N	243.503	-0.802	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1ccncc1B(O)O	2247723316	SKEVKKOEYUAEHM-YUMQZZPRSA-N	234.064	-0.853	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC[C@@H]1C	2247738559	RVEYHHJYNRRNDB-RCOVLWMOSA-N	237.064	-0.204	50	10	BBGE	
C[C@]1(NC(=O)c2ccc(B(O)O)o2)C=CCC1	2247740666	NRDSWBKZLPYGKF-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
C#CCN(CCF)C(=O)c1occc1B(O)O	2247754490	DWVXMHHDOQWAKG-UHFFFAOYSA-N	239.011	-0.996	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cccc(B(O)O)c1F	2247758570	MGYYXLMBVLVUTG-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
CCCN(C(=O)c1cc(B(O)O)n[nH]1)C(C)C	2247783431	FIKYOSJYOKNWFM-UHFFFAOYSA-N	239.084	-0.650	50	10	BBGE	
O=C(NCCC1CCC1)c1cc(B(O)O)n[nH]1	2247783773	KVHGHCHMVVJFIZ-UHFFFAOYSA-N	237.068	-0.991	50	10	BBGE	
C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247801003	VZGHQDXGTNVETF-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
CC[C@H](C)N1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247803331	AOBVCACPHLZJMS-SFGNSQDASA-N	240.112	-0.552	50	10	BBGE	
O=C(C#CB(O)O)NC1([C@@H]2CCCCO2)CC1	2247847191	SVHSTYWTPUDTRQ-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
CO[C@H]1[C@H](NC(=O)C#CB(O)O)CC12CCC2	2247847854	CJLSEFLJTMZOJF-SCZZXKLOSA-N	237.064	-0.924	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1(CN)CCCCC1	2247851227	WZEXHIYUWSKXEC-UHFFFAOYSA-N	238.096	-0.878	50	10	BBGE	
C#CCN(C)C(=O)c1cccc(C)c1B(O)O	2247853444	MMKLLZXYQZRDMC-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(B(O)O)cc1C	2247858799	HRMKMLHJWDBJLQ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CC(C)NC(=O)c1cc(B(O)O)cn1C(C)C	2247871524	CPIULTJHOBYCFS-UHFFFAOYSA-N	238.096	-0.113	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1occc1B(O)O	2247877566	IOAWUZNDXRCIQQ-UHFFFAOYSA-N	247.006	-0.313	50	10	BBGE	
O=C(NC[C@]1(F)CCOC1)C1(B(O)O)CCC1	2247878895	PVBHNFHJJBVQSK-SECBINFHSA-N	245.059	-0.372	50	10	BBGE	
COC[C@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)OC	2247888274	XXSOJUMCGNEVGF-WEDXCCLWSA-N	245.084	-0.983	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247893701	WRMZVCGJPPCBFW-QLEHZGMVSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)C1CC(B(O)O)C1	2247908790	ABUGCZQUEKZGPO-UDNWOFFPSA-N	243.112	-0.141	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H]1CC(N)=O	2249305873	SEYIBSGRLJWAHQ-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249416501	SOZRCFDYYQWERY-SECBINFHSA-N	237.064	-0.026	50	10	BBGE	
C=C1CCCN(C(=O)c2cocc2B(O)O)C1	2249418649	WVNJSBYTUVTYKJ-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1coc(B(O)O)c1	2255444674	OBNKBILJSQNBGZ-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1coc(B(O)O)c1	2255454680	XSBJYTKIIANFMH-VHSXEESVSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3occc3B(O)O)C[C@H]21	2255478083	HOKFQFJIVJIGLT-HTQZYQBOSA-N	249.075	-0.313	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1n[nH]cc1B(O)O	2255553768	CKWJFJBUXFSQQL-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
C=C1CC(NC(=O)c2nccc(C)c2B(O)O)C1	2255580613	FTIMPBSSDRTQHJ-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
O=C(N[C@@H]1CCn2nccc2C1)[C@H]1C[C@H]1B(O)O	2255583820	RGMHOAIADWPCHO-FKTZTGRPSA-N	249.079	-0.823	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1ccncc1B(O)O	2255725364	WHLWWSMIIIZWNF-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
CC1(C)CC(NC(=O)c2nccnc2B(O)O)C1	2256063933	XEWYJCAXDRLMGU-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2CC[C@@H]3C[C@H]23)[nH]c1	2298224438	FVVMXOXNOXLGFB-MRTMQBJTSA-N	233.080	-0.964	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@]2(O)C[C@@H]2C1	2298256237	MJHYASQBTCFVKD-XNDJQWLSSA-N	239.319	-0.541	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)N1C	2298371469	LZDLHGJKHKFZOV-AXTSPUMRSA-N	240.112	-0.600	50	10	BBGE	
CO[C@H]1CCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371618	QCRFWLDWSBEXCI-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
CO[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371621	QDHUVXIOEKVXEF-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCN[C@@H]2C1	2298376986	AHJKKCDFNWZAKL-AATLWQCWSA-N	238.096	-0.940	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC1CC(N)C1	2301346800	UWMMKOJKABWNRT-UHFFFAOYSA-N	231.064	-0.860	50	10	BBGE	
CC(C)=C(CN(C)[C@@H]1CN2CC[C@H]1C2)B(O)O	2301854581	NNZBCTXVELDBJS-CMPLNLGQSA-N	238.140	-0.029	50	10	BBGE	
C#CCNC(=O)[C@@H](C)N1CC[C@](C)(B(O)O)C1	2303101976	PHBJEOFMEUJNPA-KOLCDFICSA-N	238.096	-0.937	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1cocc1B(O)O	2307180469	IJDQAXJXHMTFHF-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)n1ccc([N+](=O)[O-])n1	82471657	XCHCZZMJWOFOKT-ZETCQYMHSA-N	227.224	-0.022	50	10	BBGE	
CN1CCC(N2CC(=O)OC(=O)C2)CC1	111217666	PXXOHOJCLCPZTM-UHFFFAOYSA-N	212.249	-0.534	50	10	BBGE	
Cc1nccc(CN2CC(=O)OC(=O)C2)n1	111218053	FBOYZDUDJPCTKV-UHFFFAOYSA-N	221.216	-0.330	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1	147268613	IRHZTRSPDNTLCD-JTQLQIEISA-N	223.276	-0.145	50	10	BBGE	
O=C([C@@H]1CCCN1)[C@@H]1CCC[C@H]1B(O)O	170003426	LCVPMHZPTXHLEJ-HLTSFMKQSA-N	211.070	-0.049	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN	222965875	BEWPHMZUKLVOSJ-WDSKDSINSA-N	203.242	-0.253	50	10	BBGE	
COCCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	223115133	NYIYKGVQPKALRP-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CN1CC[C@@H](NC(=O)NC(=O)CCCl)C1=O	230276605	POYVGXPSSSQILI-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
COCCONS(=O)(=O)CCCl	232300810	BXKCWIDWHSSXRP-UHFFFAOYSA-N	217.674	-0.277	50	10	BBGE	
C[C@H](O)CN(C)[C@H](C)[C@H](C)C(=O)NN	252598815	KDVSNCCWPLNTGE-BIIVOSGPSA-N	203.286	-0.687	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252634564	DZJPFBSWROHKMT-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O	300986585	VDMMOCBLKCECQJ-NESWFBESSA-N	225.292	-0.934	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@](O)(C(F)(F)F)C1	304423794	AEGGGLZGINUMLD-IYSWYEEDSA-N	241.213	-0.636	50	10	BBGE	
Cc1nccn(CCCC(=O)NN)c1=O	308978712	CXKLGMHWNPMTGL-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
CCN(CC)C(=O)c1cccc(O)c1B(O)O	310120276	BFUSYWLDGMDQTB-UHFFFAOYSA-N	237.064	-0.446	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1nncn1C	310313399	UOOBJINTYUNTBN-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
Cc1nccn(Cc2ccc(C(=O)NN)o2)c1=O	310882093	WBSRAWDXVVEOKC-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CC[C@@](C)(CO)S[C@@H](COC)C(=O)NN	311179829	XAEWFFUINJYMRZ-CBAPKCEASA-N	236.337	-0.115	50	10	BBGE	
Cc1ccc(CO[C@@H]2CCOC2)cc1B(O)O	313763806	YCQRGDNYJAVXAB-LLVKDONJSA-N	236.076	-0.020	50	10	BBGE	
COCC(COC)Oc1ccc(B(O)O)cc1	395510071	PGBDCXVTGSLDEM-UHFFFAOYSA-N	240.064	-0.593	50	10	BBGE	
COC(=O)c1cccc(B(O)O)c1CC(C)=O	396141369	ZQOVUFBFVBXVBE-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
Nc1c(B(O)O)sc2cccc(C(=O)O)c12	396247439	TZPXFCHODFIRQV-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
C[C@@H]1CC[C@H](N2CC(=O)OC(=O)C2)CO1	401401918	NTVMELGDLXOMSH-SFYZADRCSA-N	213.233	-0.061	50	10	BBGE	
CS/C(C[N+](=O)[O-])=C(\C#N)C(N)=O	687760407	BRMDKKRVFBWVGZ-SNAWJCMRSA-N	201.207	-0.111	50	10	BBGE	
CCN(CCN(C)C)[C@@H](C)[C@@H](C)C(=O)NN	688910689	JFSNMFZWRPHLEC-ZJUUUORDSA-N	230.356	-0.116	50	10	BBGE	
C[C@H](CCN1CC(=O)OC(=O)C1)N(C)C	697844594	MXUXTIFQBVZEQV-MRVPVSSYSA-N	214.265	-0.288	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCOCCF	703439467	OQHJUSDSTLLQFL-HTQZYQBOSA-N	231.223	-0.111	50	10	BBGE	
C[C@@H](CN(C)CC1(C)COC1)C(=O)NN	705802767	SCABBQHDDZKLQT-QMMMGPOBSA-N	215.297	-0.419	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CN(C)C[C@@H]2C1)C(=O)NN	706297462	CNAQKPWGAROQJO-LPEHRKFASA-N	226.324	-0.894	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]21	707904608	FOAALVPADZCZME-GJMOJQLCSA-N	211.265	-0.329	50	10	BBGE	
Cc1ccc(NC(=O)c2cnc[nH]2)c(B(O)O)c1	709746884	BVOLPWFCQUIIFE-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2CC[C@H](O)[C@H]1C2	721715523	JSSURRCTZIEPNG-BBBLOLIVSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](CN1CCC[C@]1(C)CO)C(=O)NN	723000622	ROGUMWDBASNQCS-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
N#Cc1cccc(NNC(=O)CC(N)=O)c1	748041083	KNSZNPLRCLVXES-UHFFFAOYSA-N	218.216	-0.123	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1nccn1C	779364444	NCTOHDZSLKSSDP-UHFFFAOYSA-N	225.252	-0.274	50	10	BBGE	
C/C=C\C(=O)NNC(=O)c1cn(C)nn1	855184211	UWZUPBHLTWMURD-ARJAWSKDSA-N	209.209	-0.848	50	10	BBGE	
C=C[C@@H](NNC(=O)c1cnsn1)C(=O)OC	905820777	HFAAKMSGCDEYEX-RXMQYKEDSA-N	242.260	-0.500	50	10	BBGE	
CCc1n[nH]cc1C(=O)NNC(=O)c1cnn[nH]1	1144479721	AOOLZMIDPWKBIG-UHFFFAOYSA-N	249.234	-0.835	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccc(O)nn1	1163317139	SUKPMSUBWADMNB-ZCFIWIBFSA-N	226.236	-0.860	50	10	BBGE	
CN(NC(=O)/C=C/c1cnccn1)C(N)=O	1337366067	ONYICOKNHNNFME-NSCUHMNNSA-N	221.220	-0.469	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1cccnn1	1438908969	GVQSJLVYKLHGDF-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
Nc1ccnn1CC(=O)NN=c1cc[nH]cc1	1447548733	DNMPWURWCKEBIM-UHFFFAOYSA-N	232.247	-0.575	50	10	BBGE	
Cc1cc(CC(=O)NN(C)C(N)=O)on1	1466167358	DSFRDUUBKXKITJ-UHFFFAOYSA-N	212.209	-0.433	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cc2n(n1)CCCO2	1638766552	CTHNUCCXBJIHJO-UHFFFAOYSA-N	249.234	-0.459	50	10	BBGE	
O=C(CO)NNC(=O)c1nncc2ccccc12	1648686730	USJPKBZKLRQRJN-UHFFFAOYSA-N	246.226	-0.617	50	10	BBGE	
O=C(NCC#CCO)NNc1ncccn1	1675461092	LGMZJNJGFWTLDK-UHFFFAOYSA-N	221.220	-0.902	50	10	BBGE	
O=C(O)[C@H]1C[C@H](O)CN1C(=O)C(Cl)Cl	1866331816	LVXXZBOGWGHEDV-IUYQGCFVSA-N	242.058	-0.164	50	10	BBGE	
O[C@H]1CN(C[C@H]2C[C@H]2Br)C[C@H]1O	1881371035	PEEDTWZMIQMLNC-XUTVFYLZSA-N	236.109	-0.193	50	10	BBGE	
O=C(O)[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1883634726	NTSMJULQFYDPLO-VPENINKCSA-N	207.613	-0.825	50	10	BBGE	
CC[C@H](OCCCN(C)C)C(=O)NN	1884745671	IBLFLMLUWQJBNV-QMMMGPOBSA-N	203.286	-0.277	50	10	BBGE	
NNC(=O)CCN1C[C@@H](F)C[C@@H](F)C1	1885914781	GDOIAMQNGVUNHX-KNVOCYPGSA-N	207.224	-0.252	50	10	BBGE	
CNS(=O)(=O)C1CN(C(=O)[C@H](C)Cl)C1	1887064161	FZTCSRGYTNFNFP-YFKPBYRVSA-N	240.712	-0.626	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CCOC[C@H]1C2	1891625764	GANYITPOHVKWLM-SVGQVSJJSA-N	215.278	-0.723	50	10	BBGE	
CC(C)[S@](=O)N[C@H]1CCC=C1B(O)O	1892923577	HMAOACWILWXCJL-RTHLEPHNSA-N	217.099	-0.251	50	10	BBGE	
CC(=O)NNC(=O)Cn1cc(F)cn1	1894919007	PGJBRUZSRVISHK-UHFFFAOYSA-N	200.173	-0.811	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1897376900	IZRJSOQVNVCSER-UXRPAEDSSA-N	245.706	-0.044	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC[C@H]2N)CC1	1898019952	IEJMQZQQDIUGBU-RKDXNWHRSA-N	223.276	-0.399	50	10	BBGE	
CN(CC1(O)CC1)[C@H](C(=O)NN)C(C)(C)C	1901650102	NJTWLEAXCAOFNS-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1(F)F	1902523268	YMNRWRVCCDLDCJ-VQVTYTSYSA-N	233.023	-0.037	50	10	BBGE	
CON(Cc1nc(B(O)O)cs1)CC1CC1	1902641201	LKJHZNBAYRONQJ-UHFFFAOYSA-N	242.109	-0.404	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)c1cc(B(O)O)c(F)cn1	1903006493	UNLVOAGTKHFFJD-HZGVNTEJSA-N	224.044	-0.255	50	10	BBGE	
CSCCC1CC(N(C)C(=O)C(=O)NN)C1	1903246527	VWZKGOHFPTWVLW-UHFFFAOYSA-N	245.348	-0.034	50	10	BBGE	
CO[C@@H]1CC(N2CC(=O)OC(=O)C2)C[C@H]1OC	1906530187	BFEVXSMDCYHJPP-RKDXNWHRSA-N	243.259	-0.436	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)C(=O)C(=O)NN)[C@@H]2C1	1909327345	GSDSYOMUNQTCCT-FNCVBFRFSA-N	241.291	-0.752	50	10	BBGE	
C[C@@H](Cn1cc(Cl)c(O)nc1=O)C(=O)NN	1912220944	JYHYNRKOJLZSPF-BYPYZUCNSA-N	246.654	-0.772	50	10	BBGE	
NC(=O)[C@@H]1CC[C@@H](NC(=O)CCl)C1	1928419541	TXFHRSGXTBHLKJ-PHDIDXHHSA-N	204.657	-0.005	50	10	BBGE	
Cc1nc(C(=O)NNCCO)c(C)s1	1929837528	BGCZOESGLFLLHP-UHFFFAOYSA-N	215.278	-0.013	50	10	BBGE	
CC(C)(C)OC(=O)N(N)CCn1cnnn1	1930121153	QKFGKAVVRUNDCP-UHFFFAOYSA-N	228.256	-0.216	50	10	BBGE	
CC(C)(C(=O)NCB(O)O)[C@H]1CCCO1	1930196605	SBRSAEHYDWEZER-SSDOTTSWSA-N	215.058	-0.680	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)CCCCl	1932513720	NPJGBKQRNRJMMK-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
C[C@@]1(CO)CCN1C[C@@H]1C[C@H]1C(=O)NN	1932967395	MQYLHCXIRMYRNL-XKSSXDPKSA-N	213.281	-0.931	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C[C@H]1C	1934982238	YPZOYVDMQBJCAX-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1O	1935926331	PMMVUDWGJCNZRP-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)CC(F)(F)C(=O)NN	1935943531	FBWVYFXHHCCEGI-NKWVEPMBSA-N	237.250	-0.279	50	10	BBGE	
N#C[C@@H]1CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936094220	LKGOLPOSOYXZPS-AEJSXWLSSA-N	222.292	-0.152	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1COC[C@H]1CCl	1937179178	HCGRRUUBCROHPB-HTQZYQBOSA-N	244.682	-0.352	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@H]2CC[C@@]1(F)C2	1937429190	DQDOWNKKWOZPTO-NRPADANISA-N	231.271	-0.227	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3[C@@H](CCl)[C@@H]3C2)n1	1937459859	AJHBCDDYKHYOCH-POBXSPIYSA-N	241.682	-0.233	50	10	BBGE	
CN(CCC(=O)NN)C1C[C@@H]2COC[C@H]2C1	1939479253	WSIGVEIQOCNNIR-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC(n2cccn2)C1	1940892981	HJGBAWYEHICGTL-UHFFFAOYSA-N	245.233	-0.635	50	10	BBGE	
N#Cc1ncn(C[C@H]2C[C@H]2C(=O)NN)c1C#N	1941086122	HFBIQLVUOSKCIO-RNFRBKRXSA-N	230.231	-0.748	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]1(C)CCOC1	1941087620	XUIJSVZEOAUUBT-UMNHJUIQSA-N	241.335	-0.029	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCC[C@H]1O	1941772512	KFXDYKCVBYUUQE-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H](O)C[C@H]2C3)CC1	1945883664	CZZGTMNUFPGTCV-BBBLOLIVSA-N	239.319	-0.398	50	10	BBGE	
C#CC[C@H]1CCCN(CC(=O)NNC(C)=O)C1	1946878803	ZMIPPTFVUPLLDQ-NSHDSACASA-N	237.303	-0.111	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@@H]1CO	1953757106	OGAKHOFHRAAUIH-PHDIDXHHSA-N	213.686	-0.270	50	10	BBGE	
NC(=O)CN1CCN(CCCl)CC1	1954822082	JNMMHMFUTCBHTM-UHFFFAOYSA-N	205.689	-0.672	50	10	BBGE	
C[C@@]12CCCN(CC(=O)NN)[C@@H]1COC2	1958559959	VDSHGRAFIQOTEW-SCZZXKLOSA-N	213.281	-0.523	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]2C[C@]2(O)C1	1961398147	BDUYKJYETDUULM-WEDXCCLWSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)CCCN1CCOCCOCC1	1976387822	QDMXLBLHCCJJPR-UHFFFAOYSA-N	231.296	-0.895	50	10	BBGE	
CCC[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976978757	CUJSXTRWNFKZQB-BQBZGAKWSA-N	231.057	-0.535	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]3CC[C@H]2O3)n1	1980055567	HCLZESLJDCKDRI-DJLDLDEBSA-N	222.053	-0.870	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2COC2)c1	1980866256	CIPVSUGQOBLDCF-UHFFFAOYSA-N	222.049	-0.300	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@@H]1C	1981409765	RGUOLMIVKNTSTI-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H]2C[C@H]2C1	1981422437	OQKXEIDPGMWNQN-BDAKNGLRSA-N	218.065	-0.392	50	10	BBGE	
COCCCOc1nc(C)ccc1B(O)O	1981425370	FUEOWDSAQGJRFI-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@H](C)C1	1981469392	RQXBTSXMZOKLCE-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]2C1=O	1984122445	VRBMLAYGLDNVEG-PHDIDXHHSA-N	233.218	-0.520	50	10	BBGE	
OB(O)c1cnc(O[C@H]2CC2(F)F)c(F)c1	1985886108	ZCPKKFOEEAPVCC-LURJTMIESA-N	232.954	-0.313	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C)(C[S@](C)=O)C1	1987038383	RUTDZQVRMSWHES-BCTVWOGZSA-N	247.364	-0.545	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COC[C@H]1C	1990775255	TVHZYFYCDDOSMO-VXNVDRBHSA-N	229.280	-0.880	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](F)C[C@@H](F)C1	1990775979	DFOLGDUAFOBHDV-HTQZYQBOSA-N	235.234	-0.464	50	10	BBGE	
CCc1ocnc1C(=O)NCC=CB(O)O	1991333789	CZNQXWJZLLPEBH-UHFFFAOYSA-N	224.025	-0.465	50	10	BBGE	
COCCN(C(=O)C=CC(=O)Cl)C1CNC1	1991651436	SWFPFPLAHNKXSN-UHFFFAOYSA-N	246.694	-0.245	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC(=O)N[C@H]2CC[C@@H]21	1991652608	PCWRGLJJHFUGAN-BQBZGAKWSA-N	242.662	-0.203	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1991679974	NBMVAVCMPXFYJB-ZLUOBGJFSA-N	249.650	-0.254	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cc(F)cn1	1992088659	FVMAQMJZNYIEQM-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
COC[C@@H](C)COc1ccncc1B(O)O	1995213686	FOYBLEWJXWAKLH-MRVPVSSYSA-N	225.053	-0.577	50	10	BBGE	
CN(Cc1ncno1)[C@@H](C(=O)NN)C(C)(C)C	1997737760	CYQNUQBSCFSGBL-QMMMGPOBSA-N	241.295	-0.094	50	10	BBGE	
CON(C[C@@H]1C[C@@H]1C(=O)NN)C1CCOCC1	2000669940	JUBRQOQZHCEHDZ-WPRPVWTQSA-N	243.307	-0.345	50	10	BBGE	
Cn1ncc2c1CN(C[C@H]1C[C@H]1C(=O)NN)C2	2003025908	ASODOALXFJENNH-VXNVDRBHSA-N	235.291	-0.638	50	10	BBGE	
NNC(=O)CCCCN1CC(n2cnnc2)C1	2003858536	KALVATBLWNJHIU-UHFFFAOYSA-N	238.295	-0.705	50	10	BBGE	
CC(C)C[C@@H]1CCN1c1ncncc1B(O)O	2004911069	BZCBJSDJFWXZSZ-VIFPVBQESA-N	235.096	-0.219	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1c1ccc(B(O)O)cn1	2004911631	JGLMFSGVVUJVSG-DTWKUNHWSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CCC[C@H]2C1	2004934450	FGLINDWCRKTYNI-AOOOYVTPSA-N	232.092	-0.002	50	10	BBGE	
CCN(CCOC)c1nc(C)ccc1B(O)O	2005014569	NJJOGNDQLRVWLO-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
NNC(=O)COCCN1CCC12CC(CF)C2	2011140991	XESITWNKMBEVDQ-UHFFFAOYSA-N	245.298	-0.183	50	10	BBGE	
NNC(=O)c1cn(CCO[C@H]2CC2(F)F)nn1	2011547723	ONXBVLBVSXNRJN-LURJTMIESA-N	247.205	-0.694	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901381	YJJLXIATLWGDKF-SSRBZLIGSA-N	239.319	-0.685	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H]2C)ncc1B(O)O	2015729540	INMWCOZDUWVQLE-FSPLSTOPSA-N	235.052	-0.941	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1COCC[C@H]1C	2019209812	KTNAVSKZKKWRQR-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1cnc2c(N)ncnc21	2028051919	NUHYXRUICSAPGJ-WDSKDSINSA-N	247.262	-0.966	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC[C@@H]2C[C@@H]21	2040234969	GFODFMMWYQMCEI-HLTSFMKQSA-N	246.075	-0.254	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC[C@H]2C[C@@H]2C1	2050243110	QWKWYLZMMAHWMD-DTWKUNHWSA-N	249.318	-0.135	50	10	BBGE	
CN(C)C1CCN(c2ncccc2B(O)O)CC1	2052491910	OMGSRNFHRJVPNP-UHFFFAOYSA-N	249.123	-0.708	50	10	BBGE	
N#Cc1cc(B(O)O)cc(C(F)F)c1C=O	2060229742	CIQKVVVUQDPWGC-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
COC12CC(C1)N(c1ncc(B(O)O)cc1C)C2	2065707627	NWPBCUZGCYBQIC-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
Cc1c(C(=O)N[C@H]2CCC=C2B(O)O)cnn1C	2076076008	JJMYRXUHNIQUAA-JTQLQIEISA-N	249.079	-0.441	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	2079519157	MMQYPWAMOZFTSA-BDAKNGLRSA-N	248.091	-0.008	50	10	BBGE	
CON(C)Cc1ccc(B(O)O)s1	2209235253	VENDVODQPGZVTQ-UHFFFAOYSA-N	201.056	-0.579	50	10	BBGE	
CCCN(C)Cc1nscc1B(O)O	2209702890	MUSSOLSIOGPHKA-UHFFFAOYSA-N	214.099	-0.335	50	10	BBGE	
C=CCOC(=O)Nc1ccc(B(O)O)cn1	2212133371	HDPABAAWIBXXIC-UHFFFAOYSA-N	222.009	-0.504	50	10	BBGE	
NNC(=O)C1(CSC2COC2)CCOCC1	2212445194	WVFNYJVRYRDZTB-UHFFFAOYSA-N	246.332	-0.095	50	10	BBGE	
Cn1cc(Nc2cc(B(O)O)ccn2)cn1	2212600278	BEXNAQHFECBKFV-UHFFFAOYSA-N	218.025	-0.762	50	10	BBGE	
CCOC[C@@H](C)Nc1ccc(B(O)O)cn1	2212602638	HIOYNVXSPRLDTQ-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
Cc1cnc(N2CC[C@@H](F)C2)cc1B(O)O	2212604105	MHCQDCHDTDNRGO-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C=C[C@H](C)N(C)c1nccc(B(O)O)c1F	2212604553	QEBKXBPVHIOKCO-ZETCQYMHSA-N	224.044	-0.089	50	10	BBGE	
C[C@@H](CN(C)CC12COCC(C1)C2)C(=O)NN	2215268474	HAGGFQYXJUONFL-BMQDGWLCSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](O)CN(CC1(C(=O)NN)CCC1)C1CC1	2216493410	FNRPGAWZUGTPSQ-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@](C)(CCO)Nc1ncccc1B(O)O	2217176166	SFIWUKRCUMVCLX-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccnc(NCc2cnc[nH]2)c1F	2217183616	JVOPJEABNGEZRC-UHFFFAOYSA-N	236.015	-0.764	50	10	BBGE	
C[C@H](N)C(C)(C)Oc1nccc(B(O)O)c1F	2217186315	IPUSQGCAEGIDJF-LURJTMIESA-N	242.059	-0.595	50	10	BBGE	
COCC(C)(C)N(C)c1cc(B(O)O)ccn1	2217195593	LRLQNSZTVVLTAW-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
CCC[C@](C)(O)CNc1cc(B(O)O)ccn1	2217196165	QCDWOKISTDPSIW-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
CC(C)(O)CCCN=c1cc(B(O)O)cc[nH]1	2217197281	LAERTVOREXFVMY-UHFFFAOYSA-N	238.096	-0.854	50	10	BBGE	
NCC1(CNc2ccc(B(O)O)cn2)CCCC1	2223629718	WQVDEXRIWHSZPN-UHFFFAOYSA-N	249.123	-0.308	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CC2(CCC2)[C@@H]1O	2223667876	VRBOJYSLYUBXSR-NXEZZACHSA-N	248.091	-0.523	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@H]1CCOC1	2242824405	WYRHCRUMHATVKD-VIFPVBQESA-N	223.037	-0.762	50	10	BBGE	
CC=CCNC(=O)c1ccncc1B(O)O	2243347801	QDNCRBVXQASORL-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
CON(C(=O)c1nscc1B(O)O)C(C)C	2243348568	ZMZAXTRQUGTBHM-UHFFFAOYSA-N	244.081	-0.765	50	10	BBGE	
C[C@@H](NC(=O)c1cscc1B(O)O)C(F)F	2243348949	CMJYVMKBMHPOMJ-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
CN(C[C@@]12CCC[C@H]1C2)C(=O)C#CB(O)O	2243349659	OQWVVEGXWVXZEH-ONGXEEELSA-N	221.065	-0.350	50	10	BBGE	
C[C@@]1(NC(=O)C2(B(O)O)CC2)CCCNC1	2243365336	LEJFJYWNBNIMMK-SECBINFHSA-N	226.085	-0.748	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)sn2)C1	2243378710	XYHNIYGMXBKCEE-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ncc[nH]1	2243391452	KWFNDZNBKMEPFH-ACZMJKKPSA-N	223.041	-0.550	50	10	BBGE	
N#C[C@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2243396675	PJQUPUKBOBLOFT-AFPNSQJFSA-N	222.053	-0.389	50	10	BBGE	
CCC[C@H]1CN(C(=O)C#CB(O)O)CCO1	2243399608	OCRNTNXGLQPVSN-VIFPVBQESA-N	225.053	-0.971	50	10	BBGE	
O=C(NC1CCOCC1)C1(B(O)O)CCC1	2243410677	FZAJXARMHDVLKT-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
C=CCCN(C)C(=O)c1occc1B(O)O	2243411673	YDRNQHAMODNMTB-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1csnc1B(O)O	2243413039	YKKMEYDGUHYUQT-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(CCCC(=O)NN)C2	2244310653	IWXBSRBRUITITL-DOFRTFSJSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H](C)CNC(=O)NCCC#CB(O)O	2244539761	MNBUKGOSXYKHMJ-SECBINFHSA-N	226.085	-0.263	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1[C@H]2CCC[C@H]21	2244549762	IGJQBHVDXLLRDD-MYJAWHEDSA-N	221.065	-0.446	50	10	BBGE	
O=C(NCCC1CCC1)c1cc(B(O)O)c[nH]1	2247747660	QSRCLXSJTRBDNG-UHFFFAOYSA-N	236.080	-0.386	50	10	BBGE	
O=C(N1C[C@H]2C[C@@H](O)[C@H]1C2)C1(B(O)O)CCC1	2247757896	YCEAVUCTKYPCGN-IWSPIJDZSA-N	239.080	-0.635	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC(C)(C)C	2247760344	GVSDMUVUOZGXRP-UHFFFAOYSA-N	238.096	-0.284	50	10	BBGE	
CN(Cc1cc[nH]n1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786545	CAPQSBLCSNSXLR-OCAPTIKFSA-N	237.068	-0.379	50	10	BBGE	
C[C@]12C[C@](NC(=O)C3CC(B(O)O)C3)(CO1)C2	2247805978	LRQSCXCDVJIETN-RYKPXBOBSA-N	239.080	-0.323	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC[C@@H]1CCCO	2247806282	DVPJKNVUEBGVJG-UTLUCORTSA-N	241.096	-0.387	50	10	BBGE	
COC1CCC(NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247806916	GTWMVHGQLGCDIX-YDYPAMBWSA-N	241.096	-0.077	50	10	BBGE	
CN(C)C1CC(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247806966	PGVGAMGQXNAQLA-YDYPAMBWSA-N	240.112	-0.694	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1CO	2247808334	KTLQIVFNIINUQW-ZYUZMQFOSA-N	241.096	-0.674	50	10	BBGE	
CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808373	URBHOHPAHONCFB-BBBLOLIVSA-N	240.112	-0.598	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247850043	JBCSPULFPIUZKD-APPZFPTMSA-N	236.080	-0.387	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)[C@@H]1CC1(C)C	2247853285	JKBCRHXLDJLYPK-MRVPVSSYSA-N	237.064	-0.170	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC=CCC1	2247867644	JVSWMYHPSWTDDB-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
C[C@@H]1[C@H](N)CCCN1C(=O)C1(B(O)O)CCC1	2247875533	XOJVKEVUHMOFFZ-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
CN(CCF)C(=O)c1ccc(F)cc1B(O)O	2247876710	UPLXBOVXUZOUTO-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
O=C(NC[C@@H]1CC(F)(F)CO1)C1(B(O)O)CC1	2247879063	PWFUJFGGTRVCBC-LURJTMIESA-N	249.022	-0.466	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cn(C)nc1B(O)O	2247885191	HASZOAKRSKEZFV-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
Cc1cc(CNC(=O)C2CC(B(O)O)C2)on1	2247892070	SZIFXCRWFQHPQM-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895865	BXZTWNMVCIBBHO-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896007	WRMZVCGJPPCBFW-QCLAVDOMSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247898885	IIUCIBXMDMLSHJ-SDNRWEOFSA-N	241.096	-0.483	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2[C@H](O)C[C@H]21	2247909793	LORGAKNQCJPRBN-SQXHDICFSA-N	239.080	-0.779	50	10	BBGE	
O=C(N[C@]12CC[C@@H]1CNC2)[C@H]1C[C@@H](B(O)O)C1	2247910633	QMCLWQTXRBAPKN-REIXXSIJSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)[C@H](C(=O)O)[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2248578502	RPOXKIKTYSVKAU-JRTVQGFMSA-N	241.052	-0.925	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2250008842	QPPCAHRMYAYFSA-OIYZBFHHSA-N	233.076	-0.590	50	10	BBGE	
C=CC[C@]1(CO)CCN(C[C@H](C)C(=O)NN)C1	2250432027	YQFBXJXSJOQPSS-JQWIXIFHSA-N	241.335	-0.127	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2250687191	IADKSYNJAWTGDV-FOLWWEGKSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2CC[C@H]2C1	2255449707	PKKXCFZXDJKKHR-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
O=C(C#CB(O)O)N1CCCc2ccccc2C1	2255467545	OSBJAFIRYLRQIA-UHFFFAOYSA-N	243.071	-0.023	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cccc(B(O)O)c1F	2255498065	MERJHSDDXZSTSI-UHFFFAOYSA-N	249.050	-0.353	50	10	BBGE	
Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)ncn1	2255570728	IPQDXFJBMZJPDH-UWVGGRQHSA-N	249.079	-0.394	50	10	BBGE	
CC1=CC[C@H](NC(=O)c2cc(B(O)O)c[nH]2)CC1	2255669181	KTCAYWXGNIPBJY-JTQLQIEISA-N	248.091	-0.077	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1C	2255684205	IUELKCLTKRUSEU-MNOVXSKESA-N	249.075	-0.808	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ncccc1B(O)O	2255714079	LVWMBKJOIQAKHC-PSASIEDQSA-N	246.075	-0.710	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ncccc1B(O)O	2255721784	FNVRPLSFBASMES-YUMQZZPRSA-N	246.075	-0.853	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1coc(B(O)O)c1	2255731487	GWUWPQNPDNIOQV-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC[C@@H]1CC12CC2	2255736258	JTNRYHWRXGHQST-QMMMGPOBSA-N	248.091	-0.765	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@H]1CCOC1	2255736645	RBGYDZGOSHJVMW-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
C[C@@H](CO)CC1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	2298212182	FGSRSTNURAGIFC-DVVUODLYSA-N	241.335	-0.437	50	10	BBGE	
CC1(C)CO[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368487	HXNDMJKWUXCOCN-HLTSFMKQSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368584	NFRJFOBNNXPYDN-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
CC[C@@H](C)N(C)CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298376892	VLVKLZABOOZUHK-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298377555	VTGCLVIKWJSRSM-ZOZBQHSOSA-N	238.096	-0.955	50	10	BBGE	
O=C(O)[C@H]1CC=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298463916	HWOOEQMYBXTIMV-BWZBUEFSSA-N	239.036	-0.909	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCOCC1=O	2300384309	PZVKLPKJTHAXNV-BDAKNGLRSA-N	241.291	-0.749	50	10	BBGE	
CC(C)(CN)Nc1ccc(B(O)O)cc1C#N	2301344956	ABUXGNZQPZPOHW-UHFFFAOYSA-N	233.080	-0.613	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccc(F)c(B(O)O)c1	2301605389	MCMUVRWIZBLMJR-SECBINFHSA-N	241.027	-0.785	50	10	BBGE	
CC[C@](C)(CN1CCCNC(=O)C1)C(=O)NN	2303423727	IUYMTGIKJSVZRP-LLVKDONJSA-N	242.323	-0.786	50	10	BBGE	
CC[C@@](C)(CN(C)CC(=O)N(C)C)C(=O)NN	2303425142	ZURYOCKSTAAGOP-NSHDSACASA-N	244.339	-0.587	50	10	BBGE	
C#C[C@H]1N(C(=O)c2occc2B(O)O)CC1(C)C	2314507963	UXSPVWRMCQWZQC-SECBINFHSA-N	247.059	-0.557	50	10	BBGE	
OB(O)c1cc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)ncc1F	2320801094	FUNYFZDUJUDGGV-VKQNFRTPSA-N	249.050	-0.066	50	10	BBGE	
NC(=O)c1ncn(C(=O)NCCCl)c1N	34606584	SJJBKCRZJLNQMH-UHFFFAOYSA-N	231.643	-0.639	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CN)C1	82468106	QOMAUZXHVNJQKR-JGVFFNPUSA-N	200.286	-0.965	50	10	BBGE	
CC(C)(CN1CCC(CO)CC1)C(=O)NN	86597582	UDUDJYWNNDZPCY-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
O=C1CN(C(=O)c2ccco2)CC(=O)O1	103704850	JBAKLPHZBGETAL-UHFFFAOYSA-N	209.157	-0.195	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(CC(N)=O)CC1	110598669	JJXDGFQDKITDSN-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
CN(CCS(C)(=O)=O)C[C@H](Cl)C(=O)O	132839068	IJJGIENFFXXYGF-LURJTMIESA-N	243.712	-0.345	50	10	BBGE	
C[C@H]1C[C@H](N2CC(=O)OC(=O)C2)CCN1C	158876312	DZQVJWWSGGXLPF-DTWKUNHWSA-N	226.276	-0.146	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CC1(N(C)C)CCC1	165244121	VGVVLBLMHITPOJ-SECBINFHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@H](CO)O1	230058275	UDXAAMSWQDVWRN-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)c1cccc(NC(N)=S)c1	238561181	LKEKYCWXOJGBTD-UHFFFAOYSA-N	210.262	-0.054	50	10	BBGE	
CN1CCC[C@@H]([C@H](N)CC(=O)NN)C1	259113831	RHJSMJJKHBVPSP-HTQZYQBOSA-N	200.286	-0.965	50	10	BBGE	
OB(O)c1ccc(O)cc1Br	307530615	RFUNHBZEPHRYHH-UHFFFAOYSA-N	216.827	-0.166	50	10	BBGE	
CN(C)NC(=O)c1nc(Cl)c(N)nc1N	309011654	XJAJQLQYXZSPEH-UHFFFAOYSA-N	230.659	-0.499	50	10	BBGE	
CO[C@H](COc1cncc(B(O)O)c1)C(C)C	310334535	MLCVJYCAYCTBDB-LLVKDONJSA-N	239.080	-0.189	50	10	BBGE	
CSCCOC[C@@H]1CC[C@H](C(=O)NN)O1	378692885	CLEVJMFQRHANKO-JGVFFNPUSA-N	234.321	-0.097	50	10	BBGE	
COC(=O)C(=O)NN=Cc1ccc(=N)[nH]c1	381604838	ICVKLBDKAMSBJU-UHFFFAOYSA-N	222.204	-0.883	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CC(C)(C)C(=O)NN	384937658	TZGCWIMLIXWJOD-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1CCSC[C@@H]1CO	388175850	LNWUZZAMWAEXAR-QMMMGPOBSA-N	233.337	-0.834	50	10	BBGE	
Nc1cc2c(B(O)O)cc(C(=O)O)cc2s1	396245082	QGBODHDZPFQNIS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1cccc2sc(O)c(B(O)O)c12	396370456	HPMUINKXYIWZAU-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H](c1csnn1)N1CC(=O)OC(=O)C1	398251866	WYORSUKKZANGMH-YFKPBYRVSA-N	227.245	-0.016	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)C1=O	399634902	WBXJZTJFBQCHHC-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2CCN2)CC1	692167940	QOEBBDQZHUSOEM-MRVPVSSYSA-N	209.249	-0.775	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H](N)C2CC2)CC1	692179018	ROEGAXSPWZOJMK-SECBINFHSA-N	223.276	-0.399	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)CCN(C)C	695104016	XNRFUADYEVPIKS-SNVBAGLBSA-N	230.356	-0.116	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@H](CO)C1	700399230	QYLPYOMQNZNSQR-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCc1ncon1	703424824	JDMVDDZRYXFNGU-RNFRBKRXSA-N	237.215	-0.472	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H]1C(C)(C)O	707558249	MSEDQTWARJATIY-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCN(C)C[C@@H](C)C1	707566447	DXQQFGSLBHLDQZ-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cccc(OCCOC2CC2)c1	711715986	SPFSKMXURWIHCO-UHFFFAOYSA-N	222.049	-0.076	50	10	BBGE	
CC[S@@](=O)N1CCc2ccc(B(O)O)cc21	712993779	HWOMTRMWBKJUMN-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
CN(C)c1cc(B(O)O)c2cc[nH]c2c1	716784832	WBVCRWXFJYJNGJ-UHFFFAOYSA-N	204.038	-0.086	50	10	BBGE	
OB(O)c1ccc(F)c(OCC[C@@H]2CO2)c1	718545574	YAXFJHLICCYNCY-MRVPVSSYSA-N	226.012	-0.327	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCS[C@H](CO)C1	720076667	VZHUCSKCIGDNHO-CIUDSAMLSA-N	247.364	-0.589	50	10	BBGE	
Cc1cc(Cn2cc(B(O)O)cn2)c(C)nn1	720589660	CDZROOXFCIJYNY-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H]2C(C(=O)O)[C@H]2C1	725654545	HJMHHAPLYMXYIH-WDSKDSINSA-N	213.237	-0.565	50	10	BBGE	
CNC(=O)NNC(=O)C(C)(C)c1cnn(C)c1	751460206	IKTPUERAIMJASS-UHFFFAOYSA-N	239.279	-0.342	50	10	BBGE	
CN(C)CC(=O)NN=Cc1ccc(O)cn1	755689158	LTZYPSMCMGGYNO-UHFFFAOYSA-N	222.248	-0.201	50	10	BBGE	
CS(=O)(=O)C[C@H](N=C=S)C(=O)O	757190663	DACBLKYDRTZXGY-BYPYZUCNSA-N	209.248	-0.413	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2N)n1	818042045	DOEKNONZMIMIQJ-SFYZADRCSA-N	221.264	-0.116	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCO[C@H]2C)n1C	856047548	VZBXQTFQLKSSKD-XPUUQOCRSA-N	239.279	-0.008	50	10	BBGE	
CC(=O)NNC(=O)[C@@H](C)[C@H]1CCCO1	905063459	CJFLQGAJQKXCAG-POYBYMJQSA-N	200.238	-0.031	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1C[C@@H](C)CO1	911439218	LUVQEBUPXJIOOJ-BDAKNGLRSA-N	216.281	-0.243	50	10	BBGE	
CC(=O)NNC(=O)C[C@H]1COC(=O)C1	1136046046	LZYJWOBSTPPVEH-ZCFIWIBFSA-N	200.194	-0.893	50	10	BBGE	
CCn1nncc1C(=O)NNc1cnnn1C	1306850572	RCWBZFUWDOMHBC-UHFFFAOYSA-N	236.239	-0.817	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	1450267092	AYTQJEUIUPNXOB-RNFRBKRXSA-N	216.237	-0.916	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CCN1CC[C@H](F)C1	1452352930	WEXWRARWCSSMJY-UWVGGRQHSA-N	247.314	-0.236	50	10	BBGE	
C[C@@H](CC#N)C(=O)NNC(=O)c1ncon1	1536937042	AITCJGFWQIMWCB-YFKPBYRVSA-N	223.192	-0.620	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC1(C(N)=O)CC1	1545760063	QKAFZOZFTNINBM-SREVYHEPSA-N	223.232	-0.436	50	10	BBGE	
Cc1cnn(CC(=O)NNc2nc[nH]n2)c1	1611412010	QRBXSOUNKZYVKD-UHFFFAOYSA-N	221.224	-0.547	50	10	BBGE	
C#C[C@H](CC)NC(=O)NNC(=O)c1ncon1	1682897025	NEYKKTOOVRNDFO-ZCFIWIBFSA-N	237.219	-0.575	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H](CO)[C@@H](F)C1	1881831719	CGFNDFMYGHJLRG-WDSKDSINSA-N	231.676	-0.225	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC=CCl	1885132495	KSNUXOJKBUXXIQ-UHFFFAOYSA-N	213.429	-0.719	50	10	BBGE	
NC(=O)[C@]1(O)CCN(C[C@@H]2C[C@@H]2Cl)C1	1893118951	KZXUKWVPUXUYAV-ZKWXMUAHSA-N	218.684	-0.464	50	10	BBGE	
CC(C)(CN1C[C@@H]2COCC[C@@H]21)C(=O)NN	1896907784	SPGHRYYXKMRWPJ-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CN1CC[C@H]1COCc1nscc1B(O)O	1899515244	IEKFACFRDFMBBB-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@H]1C[C@H]2O)C(=O)NN	1900378681	LTSRXTWTYYBXNJ-QCLAVDOMSA-N	227.308	-0.542	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CNC[C@@H]1C	1901344922	YEBOFMDYJRWCJE-YUMQZZPRSA-N	249.336	-0.845	50	10	BBGE	
NNC(=O)NCC12COC(CF)(C1)C2	1902182318	GBHIKDWGQPMLNN-UHFFFAOYSA-N	203.217	-0.322	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2cnccc2=O)C1	1908358845	QXEISUJZWBCDRV-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CC(C)(CN=S1(=O)CCC1)C(=O)NN	1913862350	MLKAIXJQVSDVFI-UHFFFAOYSA-N	219.310	-0.126	50	10	BBGE	
C[C@@H](CN=S1(=O)CCCC1)C(=O)NN	1913895380	VLNBRVWIDPVAHE-ZETCQYMHSA-N	219.310	-0.126	50	10	BBGE	
CCN(Cc1cc(B(O)O)ccc1C)C1COC1	1915673707	ZCWBVBPWCARHCV-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	1917429455	OAADZJLMVBSYRM-RZUNNTJFSA-N	209.249	-0.863	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H]1CS2	1927812240	HKCMWRXRCYXEBY-NTSWFWBYSA-N	237.275	-0.199	50	10	BBGE	
NC(=O)[C@H]1CC[C@@H](NS(=O)(=O)CCl)C1	1928418401	FCLCDJYNBDACND-NTSWFWBYSA-N	240.712	-0.244	50	10	BBGE	
CCOCOc1cnc(C)c(B(O)O)c1	1929657949	SZJPJSUYQYWIEN-UHFFFAOYSA-N	211.026	-0.557	50	10	BBGE	
Cc1ncc(C(=O)NNC(N)=S)o1	1929824660	IHBNGATZMAZKDQ-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](C)(N(C)C)C1	1930373832	OKQOKKLNZPUYKG-WPRPVWTQSA-N	214.313	-0.609	50	10	BBGE	
O=C1CN([C@H]2[C@H]3COCC[C@H]32)CC(=O)O1	1930475651	FRYPIGXHTZUBNR-MATHAZKKSA-N	211.217	-0.593	50	10	BBGE	
CN(C)NC(=O)[C@@H](CN)[C@H]1CCOC1	1930482041	YORDZVJZLPMQRS-YUMQZZPRSA-N	201.270	-0.809	50	10	BBGE	
C[C@H](O)C1CN(CC2(C(=O)NN)CC2)C1	1931260535	OXDXGUVSBLMPKA-ZETCQYMHSA-N	213.281	-0.931	50	10	BBGE	
C[C@H]1CCOC[C@H]1OCCC(=O)NN	1932289853	IHRWONWQEIDQJJ-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
C#CCN(CCCl)C(=O)[C@H]1CCS1(=O)=O	1933487268	RKFRKZFHMGRYFR-MRVPVSSYSA-N	249.719	-0.126	50	10	BBGE	
Cn1c(O)nc(N[C@@H]2COC[C@@H]2Cl)cc1=O	1935980800	NQBSGQVJOPKNLJ-NTSWFWBYSA-N	245.666	-0.096	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCOCC(=O)NN)CO1	1936535482	SRAFYSVMQKTCTJ-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](Cl)CN(C)C(=O)Cn1ccnn1	1937148258	BDXOZFBDWWVBQN-QMMMGPOBSA-N	246.698	-0.010	50	10	BBGE	
O=C(Cn1cnnc1)N1CCOC[C@H]1CCl	1937149756	VSZHHERVCWLGHC-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)NN	1937461372	ROICTBSFOUWHDE-BRPSZJMVSA-N	227.308	-0.827	50	10	BBGE	
COCC1(N(C)CC2(C(=O)NN)CC2)CC1	1938230478	IZUAUGZBOPVXAE-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](C)[C@H](O)C1	1939031367	IOTPEGWVSPBHTP-XFWSIPNHSA-N	229.324	-0.296	50	10	BBGE	
CCN(C)[C@@H]1CCN(C[C@H](C)C(=O)NN)C1	1939075323	NULGWHDDCMCDLP-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCOCC(=O)NN)[C@@H](C)O1	1941772378	IMDVYMJHVHCPGA-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)NN	1941851162	YPSRMWDYAXSHIQ-MRVPVSSYSA-N	233.271	-0.050	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1942758315	TVKNTWDYFFGDDI-ZMLRMANQSA-N	239.319	-0.133	50	10	BBGE	
CC(=O)Nc1cccc(C(=O)NNCCO)c1	1944217664	IFOJNOZRBPCWRB-UHFFFAOYSA-N	237.259	-0.128	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC12CCCN1CCC2	1949284555	HHDNGVLGFZXJKQ-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
NC(=O)CC1CN(C[C@H](O)CCl)C1	1954822713	TWZQWFUJPRKOAT-SSDOTTSWSA-N	206.673	-0.607	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@H]2N)CC1	1957822535	PTKCEFWDFREONL-HTQZYQBOSA-N	209.249	-0.789	50	10	BBGE	
C[C@H](C(=O)NN)N(CCC#N)CCC#N	1961231053	WWCSNGINRQVFMB-MRVPVSSYSA-N	209.253	-0.506	50	10	BBGE	
O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](O)CCl	1961303097	UENVUVDYZOAPLF-VGMNWLOBSA-N	232.711	-0.061	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCCc1cn(C)nn1	1978594807	IPVZQQBYMWSKNH-QMMMGPOBSA-N	246.698	-0.272	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC=C[C@H](O)C1	1978919926	OPAPEOOZTARDPV-IUCAKERBSA-N	227.308	-0.376	50	10	BBGE	
O=C(NCB(O)O)c1ccn2nccc2c1	1978925317	LXXAJQBBQXUTOQ-UHFFFAOYSA-N	219.009	-0.924	50	10	BBGE	
CCOc1ccnc2cc(B(O)O)cnc12	1981420746	PNYXUYYACCANIM-UHFFFAOYSA-N	218.021	-0.292	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC[C@H](F)C1	1981469190	OGECSXZRNMKJOL-ZETCQYMHSA-N	244.462	-0.037	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CCCF)n1	1981470385	AVPHNWPGPDGIGG-UHFFFAOYSA-N	227.048	-0.739	50	10	BBGE	
CCO[C@H]1CC[C@H](CNC(=O)C(=O)NN)C1	1982332710	FHTNMWPGHOWPPR-YUMQZZPRSA-N	229.280	-0.702	50	10	BBGE	
CN(C)C1C[C@@H]2CC[C@H](C1)N2CC(=O)NN	1982378565	XDXFYDPWXLUNOW-ULKQDVFKSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC[C@]1(C)CO	1982383566	UAWDWGIXSWRVQF-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
CC1(C)C[C@H]1Cn1cc(B(O)O)ccc1=O	1984101055	GNHUZZPZPVMHRE-QMMMGPOBSA-N	221.065	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC[C@H]2O)C1	1984542822	NMTWBQNOYPOMSI-XHNCKOQMSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H]1C(C)C	1985714313	CPJBKLWOAFSRBG-UTLUCORTSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(C1)CC(C)(O)C2	1986121048	NZEVOLBSIXISPT-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
COCc1cnccc1C(=O)NNCCO	1986931607	XTPWNUDKCZFAGD-UHFFFAOYSA-N	225.248	-0.545	50	10	BBGE	
C=C[C@]1(O)CCCN([C@H](C)CC(=O)NN)C1	1990538193	BUMJZUCTTVBZPD-KOLCDFICSA-N	227.308	-0.232	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)n1cccn1	1991328574	FWBNDRDZLBHQKU-MRVPVSSYSA-N	223.041	-0.872	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(c3nnc(CCl)o3)C[C@H]21	1993433283	FKZVUYGVNVGVFP-CNYLLVADSA-N	242.666	-0.024	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1CC(CF)C1	1996958194	WXLLAWIPILFBQZ-UHFFFAOYSA-N	241.046	-0.093	50	10	BBGE	
CC(C)(C)c1cnc(CNC(=O)C(=O)NN)o1	1997858414	SBZMENOSNWVZMY-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1[C@H](CC)C(=O)NN	2003620091	YQSIGMLSACTMPU-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(n2ccnn2)C1	2003858371	HVCGRJNRSGFVKY-SECBINFHSA-N	238.295	-0.707	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@H]1CCCNC1=O	2004246794	IDJXONIUHGJIFA-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCCCNC1=O	2004249349	JSOGBZYFVSECAE-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
N#C[C@@H]1CN(CCC(=O)NN)CCN1C1CC1	2004432740	RQWDXJIFNJXXAU-SNVBAGLBSA-N	237.307	-0.961	50	10	BBGE	
Cc1ncnc(N2CC[C@@](C)(F)C2)c1B(O)O	2004977316	ZBENTEPSWJFTJP-SNVBAGLBSA-N	239.059	-0.597	50	10	BBGE	
O=c1c(B(O)O)cccn1COC1CCCC1	2008843946	HFQPJHOZWQEFFN-UHFFFAOYSA-N	237.064	-0.555	50	10	BBGE	
Cc1ccn(CCC(F)(F)C(=O)NN)c(=O)n1	2008867689	PNCMDLYFZNIFAD-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H](O)[C@@H]1C1CC1	2014006481	KURLIDQUOZFQIY-PWSUYJOCSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H](F)[C@@H](F)C1	2014927361	ZQGXKPFHHFMJMW-YUMQZZPRSA-N	245.997	-0.603	50	10	BBGE	
Cc1conc1C(=O)N[C@@H]1CCC=C1B(O)O	2020061104	YXLGUSMCUFWMFL-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
C=C(CN(C)C[C@@]12CCCN(CC1)C2)B(O)O	2021164519	IQJCEIROVAAFBE-GFCCVEGCSA-N	238.140	-0.028	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccccc1B(O)O	2022196783	RNQLNCUFVIPRAR-SECBINFHSA-N	231.060	-0.185	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@@]2(CO)C1	2022761744	LWIBNTCEBFFMAB-SBMIAAHKSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3CO[C@@H](C3)C2)cc1	2034885250	DUFWVZWYUWKKSJ-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
Cc1ccnc(N2CC3(CCCO3)C2)c1B(O)O	2052473472	SWJBTLNLCOZRTE-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@@H](C)N1C	2052498963	MDAUUAHWQJRYES-AOOOYVTPSA-N	249.123	-0.710	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(B(O)O)c1	2053736885	UUZODIDJGCLNKU-UXCLJVHYSA-N	244.103	-0.086	50	10	BBGE	
NNC(=O)CS[C@H]1CNC2(CCC2)C1	2210076662	QXTOJBHHVLIFPS-SSDOTTSWSA-N	215.322	-0.006	50	10	BBGE	
Cn1cccc([C@@H]2C(=O)NC(=O)[C@H]2Cl)c1=O	2210240811	XMLCBVQWLJKERB-BQBZGAKWSA-N	240.646	-0.267	50	10	BBGE	
N#CC1CN(CC2(C(=O)NN)CCCC2)C1	2212447693	DSCUYMXFGSNQOP-UHFFFAOYSA-N	222.292	-0.008	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)N(C)C	2212605528	GMRSXFOPYIWDRS-MRVPVSSYSA-N	223.085	-0.877	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@@H]1CO	2215776083	KTQDOEKNYZWVNM-YTWAJWBKSA-N	241.335	-0.437	50	10	BBGE	
COCCC1(Nc2ccc(B(O)O)cn2)CC1	2217177069	FBILOURWIGULBS-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1cc(B(O)O)c(C)cn1	2217182374	AACMKGRVWHCLBJ-WPRPVWTQSA-N	236.080	-0.483	50	10	BBGE	
CC(C)C[C@@H](CN)Oc1ccc(B(O)O)cn1	2217187881	GKKUSZSHDCRILO-JTQLQIEISA-N	238.096	-0.486	50	10	BBGE	
C=C1CCC(CN=c2ncc(B(O)O)c[nH]2)CC1	2223624784	BEFWWASSYSZKTK-UHFFFAOYSA-N	247.107	-0.263	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@]12CCCOC2	2223628132	PBABDBHPRJTSDP-CMPLNLGQSA-N	248.091	-0.258	50	10	BBGE	
NCC[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2223633786	BAWXOEILRRRJCB-ONGXEEELSA-N	249.123	-0.309	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCC[C@H]2N)cc1B(O)O	2223642195	ZAZINQAXTJRCAV-GHMZBOCLSA-N	249.123	-0.248	50	10	BBGE	
Cc1ccc(CN=c2ccc(B(O)O)c[nH]2)cn1	2223666186	KRBXPALTGSRJGJ-UHFFFAOYSA-N	243.075	-0.501	50	10	BBGE	
C[C@@H](SC[C@H]1CCCN1)C(=O)NN	2241292639	MHBAPBLBEKCUBG-RNFRBKRXSA-N	203.311	-0.150	50	10	BBGE	
CS[C@H](C)CNC(=O)C1(B(O)O)CC1	2241474263	ZPOMFNQXRVHTNU-ZCFIWIBFSA-N	217.099	-0.139	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)[C@@H](O)CC1	2241589595	RVYCJMIOSXWHAZ-BQBZGAKWSA-N	243.712	-0.670	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)C(C)C)n1	2243078000	DCOQJZBTCLNCKF-UHFFFAOYSA-N	224.069	-0.385	50	10	BBGE	
O=C(NCC(F)(F)F)c1coc(B(O)O)c1	2243347584	ODHJOZBWHPJOFL-UHFFFAOYSA-N	236.942	-0.749	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C1CC(F)(F)C1	2243362499	RVYWVUZMXQPIBV-ZCFIWIBFSA-N	231.007	-0.448	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1=O	2243365670	PRVZJZHWWZHGOQ-NKWVEPMBSA-N	225.053	-0.223	50	10	BBGE	
CCC(CC)NC(=O)c1n[nH]cc1B(O)O	2243373100	MXSJQAPJKGNCKD-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CN1	2243397213	XGIUNDLLZOCZSX-KHONBHQKSA-N	226.085	-0.894	50	10	BBGE	
C[C@@H]1CCNCCN1C(=O)C1(B(O)O)CC1	2243397815	JQRKRQCAOYGUNP-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C#CC[C@H]1CCCCN1C(=O)C#CB(O)O	2243400826	IFYLZAUBPLSWMS-JTQLQIEISA-N	219.049	-0.594	50	10	BBGE	
CC(C)(C)[C@H]1C[C@H]1CNC(=O)C#CB(O)O	2243400991	KQJSDMNOSSCTJN-IUCAKERBSA-N	223.081	-0.200	50	10	BBGE	
O=C(NC[C@H]1CCOC1)C1(B(O)O)CCC1	2243410164	WJGDOENTAJBKMA-MRVPVSSYSA-N	227.069	-0.464	50	10	BBGE	
C[C@H]1CC=CC[C@@H]1C(=O)NCC#CB(O)O	2243678121	FFYXMPYTDSDKSY-UWVGGRQHSA-N	221.065	-0.280	50	10	BBGE	
C#CC(=O)N(C)Cc1cc(C)c(B(O)O)s1	2243678658	MDPWQWXWHXJOGC-UHFFFAOYSA-N	237.089	-0.672	50	10	BBGE	
C[C@@H](Oc1ncc(B(O)O)cc1F)C(F)F	2244241250	IKDLMKDSLYMSEX-SCSAIBSYSA-N	234.970	-0.067	50	10	BBGE	
CC[C@H]1COC[C@H]1NC(=O)C1(B(O)O)CCC1	2247732888	KJZWVTMFWLGQRL-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C(N1CC[C@H]2C[C@@]2(O)C1)C1(B(O)O)CCC1	2247734063	RGNVMSXSUQXDDE-GZMMTYOYSA-N	239.080	-0.633	50	10	BBGE	
N#Cc1ccc(CNC(=O)C#CB(O)O)cc1	2247741291	XKGLUVVDOLKARV-UHFFFAOYSA-N	228.016	-0.810	50	10	BBGE	
CN(C[C@@]12C=C[C@@H](CC1)C2)C(=O)C#CB(O)O	2247747206	KKAPZMSKENICCV-JQWIXIFHSA-N	233.076	-0.184	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H](C)[C@@H]1O	2247750101	DYOJMDMZXOEJGN-BRPSZJMVSA-N	241.096	-0.531	50	10	BBGE	
CC(C)C1(NC(=O)c2occc2B(O)O)CC1	2247750696	MZLPKGRJALUCTI-UHFFFAOYSA-N	237.064	-0.122	50	10	BBGE	
Cc1ccnc(CNC(=O)C2(B(O)O)CC2)n1	2247756132	ROKXRMKWSFXJSB-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@H]2C)c(B(O)O)c1	2247761156	RRAXTWLPIMIFPX-KCJUWKMLSA-N	233.076	-0.187	50	10	BBGE	
COC[C@H]1C=CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785622	NXCPCUXKFSDFCN-KXUCPTDWSA-N	239.080	-0.347	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H](B(O)O)C2)[nH]n1C	2247799439	DCCJCNKULXSNPB-ZKCHVHJHSA-N	237.068	-0.658	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H](CO)CC1	2247800241	NDIVTTNRXDVXFQ-BBBLOLIVSA-N	241.096	-0.530	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247806009	COQVYOLWPQISAU-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](F)C[C@@H](O)C1	2247806875	OUUMUOXESFRWCB-XSPKLOCKSA-N	245.059	-0.829	50	10	BBGE	
Cc1cc(C)nc(NC(=O)[C@H]2C[C@H]2B(O)O)n1	2247809605	ZXSHCCGKZMYLKQ-JGVFFNPUSA-N	235.052	-0.105	50	10	BBGE	
CCN(CCC#N)C(=O)c1ccoc1B(O)O	2247846500	HMENKXXMKXMYKL-UHFFFAOYSA-N	236.036	-0.665	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H]2OCC[C@@H]2C1	2247849832	FYAGWSZHJFCFMU-ZJUUUORDSA-N	237.064	-0.971	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@H]21)C1(B(O)O)CC1	2247871750	HGYGBVYDBHFJLJ-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1occc1B(O)O	2247877325	GJVJNFSOWYCWBV-NSHDSACASA-N	237.064	-0.026	50	10	BBGE	
COC1(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247897907	YJCXVQCHXVKSNH-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CN1CC2CC1(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247898082	AGSRKCOTTLNPFI-GWMJWBFUSA-N	238.096	-0.940	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247903770	MOHUDZPXDFUYBW-JXUBOQSCSA-N	240.112	-0.552	50	10	BBGE	
CC(C)(N)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247909118	FMYGGDFSZICLJE-DTORHVGOSA-N	242.128	-0.127	50	10	BBGE	
CN(CCF)C(=O)Nc1ccc(B(O)O)cc1	2247969635	CYKOHUIBVDTNEJ-UHFFFAOYSA-N	240.043	-0.200	50	10	BBGE	
O=C(O)C1CC(CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248568984	OREQDSXJDGYNKB-GHNGIAPOSA-N	241.052	-0.924	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H]1CC(N)=O	2249305125	DOEWTOTVWUJUNM-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
O=C(Nc1ccncn1)c1cc(B(O)O)co1	2249409781	LCWQYOYQKIERQJ-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC=CCC1	2249417440	GIBOZGNMHLIEGY-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
CO[C@H](C)[C@H](C)NC(=O)c1cocc1B(O)O	2249440753	QMHKANAORSGAQO-NKWVEPMBSA-N	241.052	-0.887	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@H](C)O)C(C)(C)C	2250602394	UPMWZBYLPNZKTJ-DTWKUNHWSA-N	247.339	-0.527	50	10	BBGE	
CC=CCCCNC(=O)c1ccncc1B(O)O	2255455350	YEEQBQGMXMKQTD-UHFFFAOYSA-N	248.091	-0.153	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)[C@@H]2C[C@H]2C)n1	2255481340	GHWIHVYEWKTBGO-GMSGAONNSA-N	248.091	-0.450	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCC2COC2)c1	2255511004	DBXIOILUBLRRHF-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NC[C@@H]1CCO1	2255512468	ZXOGAEJNAUWPAF-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
CC1(C2(NC(=O)c3n[nH]cc3B(O)O)CC2)CC1	2255551018	RKPAIUJNAOFZFZ-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(N[C@H]1CCC2CC1C2)c1cc(B(O)O)n[nH]1	2255553190	VPXGRSYHLHLUHB-RRQHEKLDSA-N	249.079	-0.992	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1c[nH]nc1B(O)O	2255583319	MTQGSTRMKWNRGV-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@H]1C2)c1occc1B(O)O	2255691934	RACAQSUQPULLGM-NRPADANISA-N	247.059	-0.346	50	10	BBGE	
C=CC1(NC(=O)c2cn(CC)c(B(O)O)n2)CC1	2255719702	MLADTSMTLQBFGI-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1C[C@H]2C[C@@]2(C)C1	2255730845	VJRJTHUJXXWVTM-PELKAZGASA-N	248.091	-0.813	50	10	BBGE	
CCCC1(NC(=O)c2ncncc2B(O)O)CC1	2255736593	QHMWCRXQFVWDSN-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
O=C(NCC#CB(O)O)c1cn2ccccc2n1	2256640723	QTTDJVYYZAIIKB-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1ncccn1	2258133181	MOICGCIHFQLSST-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2258139291	VFLACZVYVRJTPS-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1B(O)O	2264098495	VTGSAATYMZXVLB-ONGXEEELSA-N	247.103	-0.053	50	10	BBGE	
CC1(C)[C@@H](O)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165424	AEHARMQCTWLUTD-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@H]1CC[C@@H]1C(=O)NN	2298167335	INJZRQQDZCGROP-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
CC1(C)OCCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298377310	MJDQCPCVOVTUBK-IWSPIJDZSA-N	241.096	-0.077	50	10	BBGE	
CN1CCN(CCC[C@H]2C[C@H]2C(=O)NN)CC1	2300370895	NLXAJWVKOKSHNT-WDEREUQCSA-N	240.351	-0.360	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	2302020553	PWEHGDGJTMCUCC-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CON(C)C1CN([C@@H](C)CCCC(=O)NN)C1	2302058347	DJHKDWLOIOJMGA-VIFPVBQESA-N	244.339	-0.288	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@]23COC[C@H]2C3)C1	2303113178	YRZKUYFSBKAQRH-MIMYLULJSA-N	239.080	-0.512	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CC(CO)C[C@@H](C2)C1	2303132539	RFWFKCCKJAYMGM-NXEZZACHSA-N	241.335	-0.293	50	10	BBGE	
COCC1(CN2CC[C@](C)(B(O)O)C2)COC1	2303147691	PWMFPLYIZNDYIX-JTQLQIEISA-N	243.112	-0.412	50	10	BBGE	
CC[C@H]1COCCN1[C@@H](CC)C(=O)NN	82468013	NSUJJBJHGAVQLY-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)c1nc(CSCCO)cs1	82472501	JOXPFIUPHRZDET-UHFFFAOYSA-N	233.318	-0.028	50	10	BBGE	
COCCCC(=O)NNC(=O)CSC	89995186	JYAVIIIQIOWYTO-UHFFFAOYSA-N	220.294	-0.077	50	10	BBGE	
Cc1cc(CN2CC[C@H](O)C2)oc1C(=O)NN	104111753	AQBYUVCEUBHIGP-QMMMGPOBSA-N	239.275	-0.242	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)c2c[nH]nn2)[nH]1	126542334	NIOSLUWPMBSIHS-UHFFFAOYSA-N	245.202	-0.921	50	10	BBGE	
CC(=O)N[C@@H]1CCN(CC(C)(C)C(=O)NN)C1	228341509	CVCPPYPMSJFOCY-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@H](Oc1ccccc1CO)C(=O)NN	232418394	QPSYNBCFQHXNOW-SNVBAGLBSA-N	240.259	-0.437	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc2c1CCCC2	232421145	UQFCBHYINGIZNM-SNVBAGLBSA-N	238.291	-0.061	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](OC)[C@@H](OC)C1	233294181	FWWIADYFKXKFTL-UTLUCORTSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)c1cccc(CN2CCC[C@@H](N)C2)n1	236228769	JAGLMAJTXBZANA-SECBINFHSA-N	249.318	-0.392	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C)[C@H](C)C1	252613340	XDJQJSNLRIWPPW-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
CCN(C[C@H]1CCCO1)[C@H](COC)C(=O)NN	300022098	ZDEVWEVQEOPCRD-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC(C)C1(O)CN([C@H](C)C(=O)NN)C1	307449097	ZXSIJJAAIVTNIU-SSDOTTSWSA-N	201.270	-0.933	50	10	BBGE	
CS(=O)(=O)OCCCC/C=C\B(O)O	308583631	LBXNTTPFDMUDDK-XQRVVYSFSA-N	222.071	-0.299	50	10	BBGE	
CN(C)Cc1ccc(CN(C)C)c(B(O)O)c1	310279779	GXZSFGMFXUCBNK-UHFFFAOYSA-N	236.124	-0.510	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@H](O)C2CC2)[nH]1	380971305	ANYASEVZWROHKW-LURJTMIESA-N	243.698	-0.372	50	10	BBGE	
CC1(O)CN(Cc2ccc(C(=O)NN)o2)C1	384075174	WBUFXSRKXHPEGZ-UHFFFAOYSA-N	225.248	-0.550	50	10	BBGE	
NNC(=O)c1coc(CN2CCCC2=O)n1	386892645	ZIZCOIUFJJNQPJ-UHFFFAOYSA-N	224.220	-0.600	50	10	BBGE	
O=S1(=O)CCN1CCOCCCl	395513254	AEAQBCWILDOSNW-UHFFFAOYSA-N	213.686	-0.113	50	10	BBGE	
O=CCCc1cc(S)cc(B(O)O)c1	396034478	ULDARYJIRAZOKN-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1C	396050806	CDENQXPDBUSAQG-UHFFFAOYSA-N	222.049	-0.220	50	10	BBGE	
Nc1csc2cc(B(O)O)c(C=O)cc12	396251000	HPVDCLQZUHHKAD-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@H](CN1CCC2(CN(C)C2)C1)C(=O)NN	398756978	UELNCJYYHNWRJO-SECBINFHSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)CC[C@H]1C	399397104	DZPGWAYYNSKNGH-XFWSIPNHSA-N	229.324	-0.154	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@@H](C)OC1	401586720	TVPQNPVPXWLCNS-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H]1C[C@H](O)CN([C@H](C)CCC(=O)NN)C1	401696674	KHNOIRCBSFIMPP-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CN(C(=O)C(=O)NN)C1C[C@@H]2CC[C@H](C1)S2	403662481	XYLKQIDWYHZGLS-IEESLHIDSA-N	243.332	-0.139	50	10	BBGE	
CC[C@H](C)C(=O)Nc1ccnc(B(O)O)c1	404903948	BCUKNXLWUHOKRE-ZETCQYMHSA-N	222.053	-0.254	50	10	BBGE	
COCC(=O)Nc1ccc(F)cc1B(O)O	404929465	CAIDMAGGXZQLCI-UHFFFAOYSA-N	227.000	-0.910	50	10	BBGE	
CCC(=O)NCc1ccc(B(O)O)cc1	405010407	WHOHHYAYVPTJDG-UHFFFAOYSA-N	207.038	-0.607	50	10	BBGE	
Cc1ccc(NC(=O)c2cn[nH]c2)c(B(O)O)c1	405021657	XKLSEIHLDKKWAV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
COC(=O)N(C)NC(=O)C1CC(C)(O)C1	496824617	ZVDUULMZYQOOBG-UHFFFAOYSA-N	216.237	-0.123	50	10	BBGE	
NNC(=O)[C@]1(N)CCN(Cc2ccccc2)C1	575513241	GYVVRHCKVFDMTF-LBPRGKRZSA-N	234.303	-0.420	50	10	BBGE	
Cn1nnc(C(=O)CBr)n1	575519293	HUMBFEBEIVRLSE-UHFFFAOYSA-N	205.015	-0.212	50	10	BBGE	
CN1C[C@H](CNC(=O)NC(=O)CCl)CC1=O	687825305	MNKQJIUCEDZGHQ-LURJTMIESA-N	247.682	-0.471	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)C[C@H](C)O1	689159625	IGHXMDDTESXDHS-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCSC[C@H]1CCO	689852563	VSYRUTTYHRQOKZ-BDAKNGLRSA-N	247.364	-0.445	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2=COCCO2)CC1	692106562	JBBPYNGATJBZGI-UHFFFAOYSA-N	238.243	-0.248	50	10	BBGE	
C[C@H]1CNC[C@H]1C(=O)N1CCC(O)(C#N)CC1	692124648	NNCINBDFKIMGIJ-VHSXEESVSA-N	237.303	-0.281	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1COC2	695049305	OCECBCXUGBOEEI-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)C[C@H]1CO	700399564	SPKSROMSNKQFQH-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
CCn1nnc2cc(C(=O)NNC(N)=O)ccc21	700849958	XGNFJPASZAJPKI-UHFFFAOYSA-N	248.246	-0.236	50	10	BBGE	
NC[C@H](O)CC(=O)NCC(Cl)Cl	703306442	BYETXSMVBNXUCD-SCSAIBSYSA-N	215.080	-0.384	50	10	BBGE	
OB(O)c1ccn(CCOCc2ccccc2)n1	703686479	HAVGMOFYMDTGIY-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
CN(N)C(=O)c1ccc(-c2nn[nH]n2)cc1	704635232	LHJAQOPNNUFPLL-UHFFFAOYSA-N	218.220	-0.188	50	10	BBGE	
CS(=O)(=O)NC1CN(CCCl)C1	705786080	COSRJBZABOMUHX-UHFFFAOYSA-N	212.702	-0.541	50	10	BBGE	
NNC(=O)CCN1CCOCC12CCC2	707236991	YFUKXOLYZJUALO-UHFFFAOYSA-N	213.281	-0.379	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	722221148	VULNHHHTDDYTRI-AATLWQCWSA-N	238.287	-0.147	50	10	BBGE	
NNC(=O)c1nc(CN2C[C@H]3C[C@@H]3C2)ns1	724342217	GZMHBMPDIBDCIQ-PHDIDXHHSA-N	239.304	-0.407	50	10	BBGE	
O=C(CO)NN=C1CCCc2c[nH]nc21	789037047	LUYSUWAMOLTLPN-UHFFFAOYSA-N	208.221	-0.441	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H](CC)C(N)=O	794548790	YQXFWRVUZARFCS-HYDMIIDASA-N	225.248	-0.190	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	854929360	FFPZQNBMPZUHIP-ZMONIFLSSA-N	229.305	-0.654	50	10	BBGE	
Cn1cnc(C(=O)NNc2ncccn2)n1	1141444971	DXCXPQYGZXEVHS-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
O=C(CO)NNC(=O)C1(C(F)(F)F)CCC1	1183078058	DIJCRUFLAYAOFW-UHFFFAOYSA-N	240.181	-0.141	50	10	BBGE	
OB(O)c1cccc(F)c1CN1C[C@H]2C[C@@H]2C1	1232756378	POXPTYOWNCQUGY-RKDXNWHRSA-N	235.067	-0.043	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCCl	1253481763	NXPORMUGDGODDZ-YUMQZZPRSA-N	238.740	-0.057	50	10	BBGE	
CC(=O)NNC(=O)c1ccc2oc(O)nc2n1	1290391793	LEHRMYGQJOVPAZ-UHFFFAOYSA-N	236.187	-0.291	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1	1453282687	BDAULFXSWRQCIV-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cncnc1	1460985355	BVRDOEXMMFWMMO-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
C[C@H](CC(F)(F)F)C(=O)NNC(=O)CO	1472537354	HUCJNBYABBWVEK-SCSAIBSYSA-N	228.170	-0.285	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc(C(N)=O)[nH]1	1557203615	XWVTUUXPOMGJNO-LURJTMIESA-N	240.263	-0.929	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)NCC	1583488871	NJPTWNPOTFCHLK-UHFFFAOYSA-N	214.269	-0.546	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(F)cnc1O	1583711896	IWBYNKMUFAJWGB-UHFFFAOYSA-N	242.210	-0.158	50	10	BBGE	
O=C(NCc1ccon1)c1ccc(B(O)O)cc1	1621002581	BFASVYYCTAOHKY-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
O=C1N[C@@H]2CN(C(=O)CCl)C[C@@H]2O1	1881802088	WYVHNSNEZZBXEQ-UHNVWZDZSA-N	204.613	-0.456	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H]1CNC(=O)O1	1882701376	OSTXPLBNHJYWKP-UHNVWZDZSA-N	206.629	-0.162	50	10	BBGE	
COC(=O)[C@H](O)CNC[C@@H]1C[C@H]1Cl	1883549630	BKFCFCQFDSBHRQ-RRKCRQDMSA-N	207.657	-0.263	50	10	BBGE	
C[C@H](COC[C@H]1CCCO1)C(=O)NN	1888707826	MHZOEYGHACHJIU-HTQZYQBOSA-N	202.254	-0.192	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1[C@@H]2C[C@@H]1CN2	1893498443	UDVLRYNYBBFFBB-WWKYSYDWSA-N	214.652	-0.216	50	10	BBGE	
C[C@H]1CCS(=O)(=O)N1[C@@H](C)CC(=O)NN	1893851522	MGGCSHCWHBIASE-BQBZGAKWSA-N	235.309	-0.821	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2COC[C@@H]21	1896232970	PQYWRVBNNHAGPS-BBBLOLIVSA-N	227.308	-0.278	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@H](O)CN1C[C@@H]1C[C@H]1Cl	1899711205	ZUVBJMKIGXAQDV-CBHQDSPSSA-N	221.684	-0.988	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]2CC[C@H](C2)C1	1899911953	KLQVSKWVTKODHY-ILWJIGKKSA-N	221.065	-0.303	50	10	BBGE	
OB(O)c1ccc(SCCC2(O)CC2)nc1	1902833797	VKJMIUJVECZLDU-UHFFFAOYSA-N	239.105	-0.232	50	10	BBGE	
CC[C@H](CN)Oc1cc(B(O)O)c(F)cn1	1903019999	DZDMAWUUSSSZLZ-ZCFIWIBFSA-N	228.032	-0.983	50	10	BBGE	
C[C@H]1[C@H](C)N([C@@H](C)CC(=O)NN)CC[C@H]1O	1903265788	PPHXJKOIXHSDLS-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC(=O)[C@H]1C1CNC1	1904682770	GRRLOTWOOTZCLG-DTWKUNHWSA-N	242.710	-0.863	50	10	BBGE	
OB(O)c1cccnc1OCC1CC(F)C1	1904945263	XXPMRBVVWWFIOZ-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
C[C@@H](CCC(=O)NN)N=S1(=O)CCOCC1	1913861388	JRWBLYYEKVFDPV-QMMMGPOBSA-N	249.336	-0.357	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1CC1(C(=O)NN)CC1	1914255793	MVZTVKSUMZYOMG-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
CCCN(C1COC1)[C@@H](C)CC(=O)NN	1915661773	YESDNFYLTASOPO-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CC[C@](F)(CO)C1	1917086354	HCZRXGLVKHDVAY-SECBINFHSA-N	219.260	-0.837	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CC2(CC2)C1	1926423663	ZKVXMRKTIYWSIH-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2C[C@@H]2C1	1927917932	YYERXVQGSYIHDT-QCLAVDOMSA-N	209.293	-0.046	50	10	BBGE	
CN(CC(CO)CO)S(=O)(=O)CCl	1930660986	YPEIZXYHKAPWGI-UHFFFAOYSA-N	231.701	-0.955	50	10	BBGE	
C[C@@H](C(N)=O)N1C[C@](C)(CCl)C1=O	1931734018	UFNYPMYNFOXNMD-XNCJUZBTSA-N	204.657	-0.053	50	10	BBGE	
C[C@H]1CCOC[C@@H]1OCCC(=O)NN	1932289855	IHRWONWQEIDQJJ-YUMQZZPRSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](CCl)Cn1c(=O)n(C)c(=O)n1C	1934715349	SDNPLKYZVGRGMY-LURJTMIESA-N	219.672	-0.240	50	10	BBGE	
COCCOCc1cncc(C(=O)NN)c1	1935731756	DCDHRCMJHZMRAM-UHFFFAOYSA-N	225.248	-0.152	50	10	BBGE	
C[C@@H]1SCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	1936093678	GQPCJGDOXRPFAL-FXQIFTODSA-N	243.332	-0.424	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)CC[C@@H]1C	1936675199	DEWRRNGFZVHRTE-ZETCQYMHSA-N	227.264	-0.793	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](CO)C[C@@H]1C	1939638542	OXDMNHPURNPFOK-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](O)CN(C)Cc1cncc(C(=O)NN)c1	1940583767	XCOSOGLJJRMTPS-MRVPVSSYSA-N	238.291	-0.502	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(OCC(F)F)C1	1941084956	AVNOOUSJTZPXBW-POYBYMJQSA-N	249.261	-0.422	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCO[C@@H]1CCOC1	1941086655	SUZMKGHGAYJYKP-OPRDCNLKSA-N	244.291	-0.566	50	10	BBGE	
N#Cc1ccc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)c1	1941088828	SEIJBLSBCSOPRO-BDAKNGLRSA-N	232.243	-0.654	50	10	BBGE	
CO[C@@H]1CC[C@H](C)N(CCOCC(=O)NN)C1	1941773253	VHNHDOIIFSZVHG-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)CCOCC(=O)NN)CO1	1941775874	QMRMYTPZAWBGFB-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC12CC2	1944723434	IXDCXTBVBZVJQB-LPEHRKFASA-N	239.319	-0.277	50	10	BBGE	
CN(Cc1cncn1C)C[C@H]1C[C@@H]1C(=O)NN	1944729156	ZURLQILPOKTGNE-SCZZXKLOSA-N	237.307	-0.522	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)[C@H]2COC[C@H]21	1955240625	OWHMNYPLXBFHRP-RBXMUDONSA-N	216.668	-0.191	50	10	BBGE	
C[C@@H]1CO[C@H](CN(C)CCC(=O)NN)C1	1957583898	LVRGBALCEHLKAN-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2O	1961573306	XTWYZVUZVGEFMS-XGEHTFHBSA-N	213.281	-0.790	50	10	BBGE	
Cc1ncnc(N(C)C(C)C)c1B(O)O	1961706460	ULHHWTZWLKUBJJ-UHFFFAOYSA-N	209.058	-0.691	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H](O)C(C)C	1979850195	WLNPMYNHMBHWSQ-UWVGGRQHSA-N	231.340	-0.050	50	10	BBGE	
CC(C)(CN1CCCC[C@@H](O)C1)C(=O)NN	1980516716	ARERAZFSXLAIBE-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)CCN1CCC[C@]2(CCOC2)C1	1981044500	ADTAQDXJOUJYNG-NSHDSACASA-N	227.308	-0.131	50	10	BBGE	
CN(CC(C)(C)C)c1ncncc1B(O)O	1981416470	PJZTWPKONNATOA-UHFFFAOYSA-N	223.085	-0.361	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cc(Cl)cn1	1981465470	NCCUXYSYEFRWHT-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H](C)[C@H]1C	1981470572	BZIAYIYTSMDGTA-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ncncc1B(O)O	1984210694	ACDJRHVTYZNVGP-RXMQYKEDSA-N	231.011	-0.754	50	10	BBGE	
CO[C@H](C)COc1ncc(Cl)cc1B(O)O	1986052418	WABNBNYKKFEQSY-ZCFIWIBFSA-N	245.471	-0.172	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]1CF	1986085525	XFWPXAVZFAEKDB-SECBINFHSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	1986221643	QVEDJHFYYRBWJG-BIIVOSGPSA-N	225.252	-0.623	50	10	BBGE	
C[C@@H](F)CN1CCN([C@H](C)C(=O)NN)CC1	1988564484	KYEXOUQIMDIBHV-RKDXNWHRSA-N	232.303	-0.660	50	10	BBGE	
CCCOCC(=O)N[C@@H]1CCC=C1B(O)O	1991333666	UNNDBDIFTKYROM-SECBINFHSA-N	227.069	-0.370	50	10	BBGE	
C[C@@H]1OCC[C@]1(O)CNC(=O)C=CC(=O)Cl	1991652930	SWJBKHPYUOLZIK-XVKPBYJWSA-N	247.678	-0.036	50	10	BBGE	
CO[C@H]1CN(C)C[C@@H]1NC(=O)/C=C/C(=O)Cl	1991712138	CVFMGLZGBOBSEA-HENSLRDNSA-N	246.694	-0.247	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@H]2COC[C@@H]21	1991716442	JSMRZVUZADUWPZ-XWYXEPNTSA-N	245.662	-0.474	50	10	BBGE	
C=C(CN1CC[C@H](N2CCCC2)C1)B(O)O	1992152994	KFDHWWRJOMHCBU-NSHDSACASA-N	224.113	-0.275	50	10	BBGE	
O=C(CC(F)F)Nc1ccc(B(O)O)cn1	1992783942	CTSFGNQDPPLQOQ-UHFFFAOYSA-N	229.979	-0.645	50	10	BBGE	
CO[C@H]1C[C@@H](CO)N([C@H](C)[C@@H](C)C(=O)NN)C1	2002123127	YVWQBOYOSYHNJO-IMSYWVGJSA-N	245.323	-0.918	50	10	BBGE	
COCC(C)(C)N(C)c1ncccc1B(O)O	2004935204	LNARUOUPZKWNIT-UHFFFAOYSA-N	238.096	-0.377	50	10	BBGE	
Cc1nc(O[C@]2(C)CCOC2)ncc1B(O)O	2004935610	ZADZCPOXPNBCLS-SNVBAGLBSA-N	238.052	-0.977	50	10	BBGE	
CN(CCOCC(=O)NN)C1(C)CCOCC1	2006434810	CJUPIGQPWBYQNF-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
Cc1ncn(-c2ncc(F)cc2B(O)O)c1C	2014932552	OSFNGYILWAHNLG-UHFFFAOYSA-N	235.027	-0.297	50	10	BBGE	
NNC(=O)CCCN1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	2016209529	WYTYSMPHVAULBP-CKEKPRIKSA-N	245.298	-0.308	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CC[C@@H]1C[C@@H](F)C2	2017217283	LLWHBEDKYXGORS-OWUUHHOZSA-N	245.298	-0.042	50	10	BBGE	
C=C(CN(C)[C@H]1C2CCN(CC2)[C@@H]1C)B(O)O	2021162359	FUVZTBFBDBYYNS-ZYHUDNBSSA-N	238.140	-0.031	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)C1(F)CC1	2025669882	OEPNKFCKGJEPFF-UHFFFAOYSA-N	241.002	-0.054	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC=C[C@H](O)C1	2046612140	RGDRFNDDEFNRLS-RYUDHWBXSA-N	247.298	-0.050	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)ncc1B(O)O	2053735558	MAIQMQMDLHVDHJ-FTYOSLGDSA-N	245.091	-0.691	50	10	BBGE	
O=Cc1ccc([N+](=O)[O-])c(F)c1B(O)O	2060053536	BTSNNIKHKXPJNC-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
N#Cc1cc(B(O)O)cc([N+](=O)[O-])c1Cl	2060103170	RCJLEWDTLNTUSW-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN1CC[C@H](OCc2cc(B(O)O)cs2)C1	2211079641	VUAPKLOWBXHFGY-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
O=C1CN([C@]2(C3CC3)CCOC2)CC(=O)O1	2212241766	YZYFMKNRHXWBTR-LLVKDONJSA-N	225.244	-0.059	50	10	BBGE	
C[C@H]1[C@H](O)CN1CC1(C(=O)NN)CCCC1	2212447677	DQWZKJVWUDATKK-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC[C@H](N)CCOc1ncccc1B(O)O	2212601869	VBYCCISZMOUPNU-QMMMGPOBSA-N	224.069	-0.732	50	10	BBGE	
CCN[C@@H](C)CNc1ncccc1B(O)O	2212610785	OWCADLSMZQXJHJ-QMMMGPOBSA-N	223.085	-0.829	50	10	BBGE	
CN(CC1(O)CCC1)CC1(C(=O)NN)CCC1	2216486983	CJQPXYIRWMSADJ-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2C[C@H]3O)CCC1	2216528116	LPZVTGJWASTRJL-KXUCPTDWSA-N	239.319	-0.398	50	10	BBGE	
NC[C@H]1CC[C@@H](Oc2ncccc2B(O)O)C1	2217174642	WTGOIKQDTZWJJB-DTWKUNHWSA-N	236.080	-0.732	50	10	BBGE	
OB(O)c1ccnc(N2CCC(F)(F)C2)c1F	2217182900	HRSNJBZXHPUOGV-UHFFFAOYSA-N	245.997	-0.254	50	10	BBGE	
CC[C@H](CCO)Nc1cc(B(O)O)c(C)cn1	2217184981	XHOZSNGJTZAHFW-SECBINFHSA-N	238.096	-0.357	50	10	BBGE	
CC[C@H](CN)CCOc1ncccc1B(O)O	2217185937	DGONEDWMOSOBOV-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
CC1(C)CC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217197759	QLYHOJZBELUBOS-QMMMGPOBSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCCCO2)nc1	2217197995	UTOLTGUCOKNJMF-SNVBAGLBSA-N	236.080	-0.258	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNc1ncccc1B(O)O	2217198636	DPIOMRQDGZPQRZ-BDAKNGLRSA-N	236.080	-0.544	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c1	2217201510	QKHVCORKHBFQKD-DMLMCSCLSA-N	230.076	-0.394	50	10	BBGE	
CN(C)CC(C)(C)Nc1ncccc1B(O)O	2217203352	TUAXDHJTWVBDOW-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
O=C1[C@H]2CC[C@H]2CN1Cc1cccc(B(O)O)c1	2220062698	NAQJMMTUEHPDNT-JQWIXIFHSA-N	245.087	-0.265	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](Nc3cc(B(O)O)ccn3)C[C@H]12	2223631993	DKCWLNVCAUEERJ-CDEVMZEPSA-N	247.107	-0.701	50	10	BBGE	
C=C[C@@]1(C)COCCN1c1ncccc1B(O)O	2223636808	AYMJORGTQNIFOG-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
Nc1ccccc1COc1ncccc1B(O)O	2223644061	DKLYOQSDJQQKCH-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
Cc1cnc(OC[C@H]2[C@H]3CN[C@H]2C3)cc1B(O)O	2223646377	JXVXQZUFZDLWFD-YWVKMMECSA-N	248.091	-0.943	50	10	BBGE	
Cc1cnc(N2CCCN[C@H](C)C2)cc1B(O)O	2223650940	STNPGYBYQMMKOH-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
C#C[C@H](C1CC1)N(C)c1cc(B(O)O)c(C)cn1	2223653817	UYKIDYVFYNMUCE-GFCCVEGCSA-N	244.103	-0.082	50	10	BBGE	
Cc1nccc(CNc2ncccc2B(O)O)n1	2223664955	ALCXZUCDZMZPFX-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
O=C(NN1CCCCC1)C1(B(O)O)CCC1	2243346910	FQSMVINCHNWQJQ-UHFFFAOYSA-N	226.085	-0.099	50	10	BBGE	
O=C(N1CCC[C@H]1CO)C1(B(O)O)CCC1	2243348523	ZAJPWWZCAKTLPY-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)sn1	2243377542	BGGLQFQPDIBAMZ-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CCCN(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243381820	JCJHTRJKPNMHRJ-DTORHVGOSA-N	229.085	-0.530	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)C1(B(O)O)CC1	2243397664	HARWINHLBIKFJW-MRVPVSSYSA-N	226.085	-0.796	50	10	BBGE	
C=C=CCCNC(=O)c1sccc1B(O)O	2243404568	QJYFJSCWRLAQKN-UHFFFAOYSA-N	237.089	-0.111	50	10	BBGE	
CC=CCCNC(=O)c1ncsc1B(O)O	2243408327	LERBKISDYJSJFR-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CC1(NC(=O)c2nscc2B(O)O)CCC1	2243409262	DYZHBBDJRSMAHX-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CN(C)CCCCNC(=O)C1(B(O)O)CC1	2243411471	UNJGYNWQEKWVGS-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)C1CCC1)B(O)O	2243412778	SPHQINABMGICCD-MRVPVSSYSA-N	247.125	-0.337	50	10	BBGE	
C[C@@H](C[S@](C)=O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427491	WKLVCUYXVSLGQY-BTZQDYPBSA-N	247.125	-0.877	50	10	BBGE	
C#CC(=O)Nc1ccc(F)c(F)c1B(O)O	2243678923	PWVWPMJBLZZWPA-UHFFFAOYSA-N	224.959	-0.784	50	10	BBGE	
CNC(=O)CCCN1CCC(B(O)O)CC1	2244177786	OWYYWJXFZAYHNC-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC2(CNC(=O)CO2)C1	2245335331	KYYQIBBQYJOIMU-ZETCQYMHSA-N	246.694	-0.269	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]2C[C@H]21	2247722180	KXEHYDGYCYAQHW-VXNVDRBHSA-N	235.048	-0.498	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)C1(B(O)O)CCC1	2247734331	SBTIAAYWNMJHKA-SECBINFHSA-N	241.096	-0.339	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(F)(F)F	2247738883	VTANVROMSHSELW-SCSAIBSYSA-N	249.985	-0.625	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)C1(C)CC1	2247784038	OPBAPFKPSCYABO-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
C[C@H]1NCCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790318	GTDMNNYKNKYSGM-ZYUZMQFOSA-N	240.112	-0.504	50	10	BBGE	
C[C@H]1CNC[C@@H](C)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247803430	BBAJJYOCYYBAAL-KATARQTJSA-N	240.112	-0.694	50	10	BBGE	
CCc1cnc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)o1	2247803899	DPIJFVSMGJCAES-SFYZADRCSA-N	238.052	-0.284	50	10	BBGE	
CN(C[C@H]1C[C@]12CC2(F)F)C(=O)C#CB(O)O	2247848769	QBSGDTFVZKBJRX-APPZFPTMSA-N	243.018	-0.495	50	10	BBGE	
C[C@@H]1CCC[C@](O)(CNC(=O)C#CB(O)O)C1	2247851845	KYEHATQSPWHMHS-MWLCHTKSSA-N	239.080	-0.941	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@]2(CO)C1)C1(B(O)O)CC1	2247857499	VLBMBGQDBZNOGP-WCBMZHEXSA-N	239.080	-0.776	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NCC1CC1	2247859179	KTGLDGCHDDBSPZ-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
C[C@H]1CC[C@@H](CN)N(C(=O)C2(B(O)O)CC2)C1	2247872033	LNRWZZKTKGNRFE-IUCAKERBSA-N	240.112	-0.421	50	10	BBGE	
CC(C)C[C@@](C)(O)CNC(=O)C1(B(O)O)CC1	2247873516	CMTWOVUWNZSNPW-SNVBAGLBSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCc1ccccn1)[C@H]1C[C@@H](B(O)O)C1	2247898869	IGRBXTKVMDQFPB-DTORHVGOSA-N	234.064	-0.049	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1C[C@@H]1B(O)O	2247898915	IQPZZXRFDYHZON-CVPUBMOQSA-N	238.096	-0.813	50	10	BBGE	
C[C@]12C[C@](CNC(=O)[C@@H]3C[C@H]3B(O)O)(CO1)C2	2247900730	ZDKZANCYYFTVQG-OYBPUVFXSA-N	239.080	-0.465	50	10	BBGE	
C=CC(=O)N1CCc2c(cccc2B(O)O)C1	2248419679	FTHMWFIIOMMNEV-UHFFFAOYSA-N	231.060	-0.563	50	10	BBGE	
C=CC(=O)N1CCc2cc(B(O)O)ccc2C1	2248420028	MEKZEEIQXHFLJG-UHFFFAOYSA-N	231.060	-0.563	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248584893	CRPPIQBPBNANIV-NKWVEPMBSA-N	243.068	-0.439	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249591781	DHZCSQYBDZUDHE-SMRSKGNSSA-N	241.335	-0.296	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)C1CC(B(O)O)C1	2249620341	CPBRKKIUFNEFIB-QQNQPQLZSA-N	239.080	-0.467	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1[C@H]2CCCC[C@H]21	2249998405	IMFHMHQDTTZVLJ-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
COC[C@]1(C)C[C@H]1C(=O)NCCC#CB(O)O	2250006721	OVGMHSQZXYSJFO-ONGXEEELSA-N	239.080	-0.819	50	10	BBGE	
C#CC1(NC(=O)c2ccsc2B(O)O)CCC1	2250674032	IVKHBZNAZKRURH-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
CCc1cnn(CCCCC(=O)NN)c(=O)c1	2250941220	AHLHFLOWATTXHB-UHFFFAOYSA-N	238.291	-0.034	50	10	BBGE	
C[C@H]1CC[C@H](C)N1C(=O)c1ccncc1B(O)O	2255444965	QSEQZJFNISHJQK-IUCAKERBSA-N	248.091	-0.226	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1c(C)cccc1B(O)O	2255510652	YVJNCHJVLGDDTB-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1ccc(B(O)O)cn1	2255530880	OJGORFTVBIDFNF-SNVBAGLBSA-N	246.075	-0.448	50	10	BBGE	
O=C(NCc1cnc2n1CCC2)[C@@H]1C[C@@H]1B(O)O	2255683142	RGBPNEGEKAJKKW-BDAKNGLRSA-N	249.079	-0.692	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1ccncc1B(O)O	2255693083	FVZGELKVBXFEII-QMMMGPOBSA-N	247.063	-0.864	50	10	BBGE	
CO[C@@H]1C[C@@H]1NC(=O)c1ccc(C)cc1B(O)O	2255729869	CAKNEIFXMCLQQG-WDEREUQCSA-N	249.075	-0.808	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)c1ncc[nH]1	2255732943	CTZHSHRSFMOMJR-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C=C=CCC(=O)N1CCc2cc(B(O)O)ccc21	2256598348	PLIRGYYUFUTHOK-UHFFFAOYSA-N	243.071	-0.013	50	10	BBGE	
C[C@H]1CCN(CCNc2cc(B(O)O)ccn2)C1	2261473441	LNWUUNCHWOBYNK-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)c1cccc(B(O)O)c1	2263968249	LQNIRBCWFHWIBB-LLVKDONJSA-N	249.075	-0.725	50	10	BBGE	
CN(C)C(=O)[C@@H]1COCCN(C(=O)CCl)C1	2296576452	PSBMGLFVYROBBM-QMMMGPOBSA-N	248.710	-0.212	50	10	BBGE	
C[C@H]1CCOCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298369177	LVMMLVPGMXAOBN-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)[C@H]1C[C@@H](B(O)O)C1	2298376594	FGMZWTQYMJJSJM-YNFQOJQRSA-N	241.096	-0.341	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CC=C[C@H](O)C1	2300362788	GGAJDOKZFCMMJZ-OUAUKWLOSA-N	239.319	-0.375	50	10	BBGE	
C/C(=C/C(=O)N1CC[C@](C)(B(O)O)C1)C(=O)O	2303108685	JPVVIBISUBYRHM-BXKUYDPTSA-N	241.052	-0.517	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C12CCC2)C(=O)NN	2303409458	CFHPFMKCTLEXSU-GXSJLCMTSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2306891422	BDORHFTYUDOKCP-GARJFASQSA-N	242.367	-0.116	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@@H]3CC[C@H]2C3)nc1	2313382726	OYUNUAWUDXFZCY-KXUCPTDWSA-N	248.091	-0.029	50	10	BBGE	
C/C(C/C(C)=N/NC(N)=O)=N\NC(N)=O	71773064	PVPQRTKUGMCJCT-ZVSIBQGLSA-N	214.229	-0.535	50	10	BBGE	
CN1CCC[C@H](N(C)CCCC(=O)NN)C1	82468603	MRQFUVBDRCPCPO-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
O=C(CCl)NC[C@H]1CCCS1(=O)=O	87970638	IFHNLWDALYAUBX-ZCFIWIBFSA-N	225.697	-0.081	50	10	BBGE	
CC(=O)N1CCN([C@H](C(=O)NN)C(C)C)CC1	104111529	OTRJXUDBJUUKQB-JTQLQIEISA-N	242.323	-0.835	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2ccnc2C1	110583149	BUTOSKAXGVEFIL-SNVBAGLBSA-N	237.307	-0.287	50	10	BBGE	
NC(=O)N/N=C1\CCCC\C1=N/NC(N)=O	169485232	MQKBHCZZWVUGCO-YDWXAUTNSA-N	226.240	-0.391	50	10	BBGE	
C[C@@H](O)CNC(=O)C(=O)NCCCCl	170359108	SBMCASYRXQZAMH-ZCFIWIBFSA-N	222.672	-0.772	50	10	BBGE	
OB(O)c1ccccc1OCCN1CCCC1	197957687	BIDYHVLHRLHOOU-UHFFFAOYSA-N	235.092	-0.159	50	10	BBGE	
[C-]#[N+]CC(=O)NCCCN1CCOCC1	216704637	KEZWBYDJPTVQST-UHFFFAOYSA-N	211.265	-0.256	50	10	BBGE	
COC[C@H](O)CCNC(=O)CBr	230152880	PEDQZFQVNJQMMK-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
COCCCOCCO[C@H](C)C(=O)NN	232205980	VBEFMAKDTYWSGR-MRVPVSSYSA-N	220.269	-0.566	50	10	BBGE	
Cc1cc(=O)[nH]c(=O)n1CC(=O)Cl	238445931	IVWGAGIOIPRVBR-UHFFFAOYSA-N	202.597	-0.390	50	10	BBGE	
Nc1cncc(B(O)O)c1C(F)(F)F	238602766	HWYWNTDUEJLHND-UHFFFAOYSA-N	205.932	-0.638	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)C1	253201482	UMOPINCQEPDIFS-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](C)[C@H](O)C1	299913149	OYFJKZJYYFEXDP-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
COC(=O)[C@H](Br)CNCCCO	300009904	QFLWZHCTSPPECM-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
CC(=O)O[C@H](CN)CNCCBr	379321314	BHOXODGOFIEQND-SSDOTTSWSA-N	239.113	-0.139	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CN(C)C)C1	382361203	VQWOJHGEMRUGQR-VIFPVBQESA-N	214.313	-0.752	50	10	BBGE	
NNC(=O)CCN1C[C@H]2[C@H](N3CCCC3)[C@H]2C1	384224786	FBOIOYSPIBBYND-IAZYJMLFSA-N	238.335	-0.608	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCC[C@H]1C(N)=O	395602254	CSIYZTOVGQIIGR-JGVFFNPUSA-N	242.323	-0.659	50	10	BBGE	
O=CCCc1ccc(S)c(B(O)O)c1	396032614	NKBHSYGWWMAIEB-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC2(CN(C)C2)C1	398765867	XNOVDZUZLKLWPQ-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
CCOC1(C)CN([C@H](COC)C(=O)NN)C1	399953058	ULMHGAWUUXCQDZ-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1ccccc1B(O)O	504216688	WYZRAGWTEQBDBS-UHFFFAOYSA-N	242.043	-0.564	50	10	BBGE	
OB(O)c1c2c(nn1C1CC1)CCCC2	584882172	RKBGXTMCFSKFGU-UHFFFAOYSA-N	206.054	-0.223	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687258197	GJMVPRTVIZJCOW-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCSCC1	690638125	ZYNMMEILYJGSCE-ZETCQYMHSA-N	231.321	-0.374	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]2COC[C@H]2C1	690721850	ISVCEHNDEXKFKU-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
CCOC(=O)[C@H](O)CN1CCC(O)(C#N)CC1	692178849	QWDICVYNRCTUJU-SECBINFHSA-N	242.275	-0.739	50	10	BBGE	
CCC(CC)OCn1ccc(B(O)O)n1	694229554	QGYCHGQNPRHMKG-UHFFFAOYSA-N	212.058	-0.274	50	10	BBGE	
COc1cccc(Cn2ccc(B(O)O)n2)n1	694307304	GQLOWOWUWZMMHA-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
CO[C@H](CN(C)CCC(=O)NN)C1CC1	701420953	LTTGGBXHZVESLS-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CCCO[C@@H]1CCN([C@@H](COC)C(=O)NN)C1	701699040	GMKYEEBHPZSTAI-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)[C@H]1COCCO1	744643239	BNWTXCWBUHIUJN-NKWVEPMBSA-N	248.304	-0.699	50	10	BBGE	
CNC(=O)CC(=O)NNC(=O)[C@@H]1CCCS1	819666821	GWNFFKKHHZJZKW-LURJTMIESA-N	245.304	-0.835	50	10	BBGE	
C[C@@H](CC(=O)NNc1cccnn1)NC(N)=O	1118380702	YQOHVWVCWMUZFO-LURJTMIESA-N	238.251	-0.633	50	10	BBGE	
C[C@@H](F)CCNC(=O)NNC(=O)c1ncon1	1251371918	PDQJLRHXYSSIDP-RXMQYKEDSA-N	245.214	-0.238	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2F)nn1	1650883218	OIBPQIWMBPRPOW-RFZPGFLSSA-N	239.210	-0.623	50	10	BBGE	
CO[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1877520181	JWIHNBRSRJAEFU-VGRMVHKJSA-N	218.684	-0.283	50	10	BBGE	
Cc1cnc(SCC(=O)NN)n1C	1881800685	KCJWAVHNXQWOGA-UHFFFAOYSA-N	200.267	-0.189	50	10	BBGE	
C[C@H]1CNC(=O)CN1C[C@H](Cl)C#N	1882314652	CEZZSEGWFVSDHJ-NKWVEPMBSA-N	201.657	-0.062	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H]2COC[C@H]21	1882698043	NGANWPVEJNIVQE-RNFRBKRXSA-N	225.697	-0.114	50	10	BBGE	
COC(=O)[C@H](CN)NC[C@H]1C[C@@H]1Cl	1883550294	DWVGRESOUKRGCT-VQVTYTSYSA-N	206.673	-0.296	50	10	BBGE	
CP(C)(=O)CCCNC(=O)C(=O)NN	1884609356	RPNHJMCVITXTOZ-UHFFFAOYSA-N	221.197	-0.895	50	10	BBGE	
O=S(=O)(CCl)N1CCC[C@@H]1[C@@H](O)CO	1885365606	OMQXWZARESAFCM-RQJHMYQMSA-N	243.712	-0.670	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H]2COC[C@@H]21	1889522810	FOVQPDLRIMKBCD-BQBZGAKWSA-N	241.696	-0.388	50	10	BBGE	
C[C@@H]1OC2(C(=O)NNC(N)=S)CC1C2	1889713211	ACWMUAMPAFVMBV-ZHBRMIHBSA-N	215.278	-0.582	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCC1(CO)CO	1891563255	NQGMIDCXPIYHLW-SSDOTTSWSA-N	221.684	-0.183	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](F)[C@H](CO)C1	1895509916	CHRBYMJPHVQICE-HRDYMLBCSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(CC2(C(=O)NN)CC2)C1	1895961919	NMLWOSKANSDLLH-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1cc(N[C@H]2C[C@H](F)C2)ncc1F	1905086842	DAFYMEGVDFUMLK-IZLXSQMJSA-N	228.007	-0.187	50	10	BBGE	
CC(C)C1CC(CNC(=O)C(=O)NN)C1	1921239222	DXSWMCRVHUQGTM-UHFFFAOYSA-N	213.281	-0.225	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](N)CC12CCC2	1925259340	OMTAIJAADKKXCR-VIFPVBQESA-N	240.307	-0.891	50	10	BBGE	
CN(N)C(=O)c1nnn(C)c1C(F)(F)F	1927928301	PBXCDCMKLKLYGM-UHFFFAOYSA-N	223.158	-0.220	50	10	BBGE	
NNC(=O)CCN1CCS[C@H]2CC[C@H]21	1931919291	LAKMHCKYHOWQFY-SFYZADRCSA-N	215.322	-0.054	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]1C(F)(F)F	1935125687	CFEOYOYSSOPSQW-WHFBIAKZSA-N	212.171	-0.202	50	10	BBGE	
C[C@@H]1CCSCCN1CCOCC(=O)NN	1936534241	NUJXGHMXFHGMND-SECBINFHSA-N	247.364	-0.180	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]1C1CCOCC1	1936638253	VINVPJKPPCNWBC-SCZZXKLOSA-N	227.308	-0.134	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082923	KOBIZCPJQDXCSZ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(N2CCCC2)C1	1941088111	OWEQARJBYJXNFA-KOLCDFICSA-N	238.335	-0.608	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C(C)=O)C1	1941987914	FJGSGQARGVKHDT-SNVBAGLBSA-N	241.291	-0.545	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1942762197	OUHYWAOBIHGCKL-JLLWLGSASA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2[C@H](CC1=O)C2(F)F	1946720614	JIVLFBGISDKTHV-BQBZGAKWSA-N	247.245	-0.130	50	10	BBGE	
Cc1c(CN(C)[C@@H](C)CC(=O)NN)cnn1C	1947411963	WTQHPOXCKNUPFT-QMMMGPOBSA-N	239.323	-0.071	50	10	BBGE	
CC1(C)CN(C(=O)N2CC[C@H](B(O)O)C2)C1	1951321070	XTUFOWMCFCVWHT-QMMMGPOBSA-N	226.085	-0.003	50	10	BBGE	
O=C1C[C@H](C2CC(=O)OC(=O)C2)CCN1	1951756778	HFIAVMBOYIZKAK-ZCFIWIBFSA-N	211.217	-0.008	50	10	BBGE	
CC(C)COCC(=O)NNC(N)=S	1954861005	HLJVKDYLSGSSTQ-UHFFFAOYSA-N	205.283	-0.477	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@H](O)C(=O)OC	1955557148	DGGBBICRBMNLEJ-RITPCOANSA-N	223.656	-0.346	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1CCOCC(=O)NN	1958677609	NQHXMKNNOHJKGL-JGVFFNPUSA-N	219.260	-0.575	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2C[C@H]2C1	1961687758	OBIJNOAFNZNDNS-YUMQZZPRSA-N	204.038	-0.783	50	10	BBGE	
CC[C@H](C)Oc1nc(C)ncc1B(O)O	1961696063	MGZMDNHTNBSXHJ-LURJTMIESA-N	210.042	-0.358	50	10	BBGE	
CCOCC1CN(CC(C)(C)C(=O)NN)C1	1979180030	WJLQAUDXCSOZAU-UHFFFAOYSA-N	229.324	-0.029	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]2C[C@@H]21	1980229977	XPSTWEXOYPFUOY-XKNYDFJKSA-N	224.308	-0.999	50	10	BBGE	
COC[C@@H]1CCCN1c1nc(B(O)O)cs1	1981469585	VIRYULLZNYFNFM-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1981995019	CIABJXORDJUJJH-GSVPJAPCSA-N	221.304	-0.047	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1981998452	BGWVKUJEGGYDCP-BZNPZCIMSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)CCCCN1CC=CC[C@@H]1CO	1983179895	XLXJJWZRMUDMEQ-SNVBAGLBSA-N	227.308	-0.231	50	10	BBGE	
Cc1cc(CN(C)[C@@H](C)C(=O)NN)nn1C	1986082771	PPMBJVFTSCAWTI-QMMMGPOBSA-N	225.296	-0.461	50	10	BBGE	
CCCN(C)C1CN(C[C@H](C)C(=O)NN)C1	1989652883	BPCVSNQFMKGWHT-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H](C)C(=O)NN)C1=O	1990100584	SRKKNCMEKHNATO-SFYZADRCSA-N	229.280	-0.893	50	10	BBGE	
CC1(C)C[C@@H](C(=O)NCC=CB(O)O)CO1	1991336781	KNOOTLKSGANKMC-MRVPVSSYSA-N	227.069	-0.514	50	10	BBGE	
C=C(CN1CC[C@@H](CCN(C)C)C1)B(O)O	1992152241	BVGAWRBPQZHRGN-LLVKDONJSA-N	226.129	-0.172	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@@H](C1)C2	1992341096	CAJDTGJXEUICSN-DTORHVGOSA-N	218.065	-0.392	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)C12CCC2	1993529698	YKMHFUGUOIYCPW-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CC1CN(CC23CC(C(=O)NN)(CO2)C3)C1	1993891647	TYHCWTRBVKGARA-UHFFFAOYSA-N	225.292	-0.523	50	10	BBGE	
COC[C@@H](C(=O)NN)N(OC)C1CCOCC1	2000669779	JZQLSEFIBHMKBK-VIFPVBQESA-N	247.295	-0.966	50	10	BBGE	
C[C@H]1CO[C@@H](COc2cncc(B(O)O)c2)C1	2001600916	DKJXVDPFOIGUGW-LDYMZIIASA-N	237.064	-0.435	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(=O)NC2	2003957081	HZKAWCARTDGZQE-XHNCKOQMSA-N	240.307	-0.892	50	10	BBGE	
CCCN([C@@H](C)CC(=O)NN)[C@H]1CCNC1=O	2004312712	DFMNYGFBVFUIPY-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
Cc1nc(N2CCC[C@@H](F)C2)ncc1B(O)O	2004971219	OCLJEHNFXVODEF-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
Cc1nc(N2CCC3(CC3)C2)ncc1B(O)O	2004974405	JYQLSYVZXITCQU-UHFFFAOYSA-N	233.080	-0.545	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@@]3(C)C2)n1	2004974572	MDFJEGCHTHOOGR-SKDRFNHKSA-N	232.092	-0.084	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H](F)C2)c1B(O)O	2004974827	PVPPBHOPNOQYHM-MRVPVSSYSA-N	239.059	-0.597	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)nc1	2005810201	ULVGBAHNRGQAMR-DMLMCSCLSA-N	230.076	-0.394	50	10	BBGE	
CN(C)NC(=O)NCc1ncc(C(=O)O)n1C	2009443455	RNXXEXPBLNALFY-UHFFFAOYSA-N	241.251	-0.606	50	10	BBGE	
CCc1ccnn1C[C@H]1CC[C@H](C(=O)NN)O1	2012152346	NGAWOVJRCROULB-NXEZZACHSA-N	238.291	-0.017	50	10	BBGE	
CN=c1nncc(N2CCC(O)(C#N)CC2)[nH]1	2012452743	IBOLGKPKCKGJEN-UHFFFAOYSA-N	234.263	-0.810	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@]2(CC[C@H]2O)C1	2013328020	HMOUGODJVKTNKA-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
C[C@]1(CCO)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	2014780704	OJTTXYBNJOZBFI-JFGNBEQYSA-N	241.335	-0.293	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1	2015022103	PANAHIBJQSVEIO-CBHQDSPSSA-N	239.275	-0.999	50	10	BBGE	
COCC1(CN(C)CC(=O)NNC(C)=O)CC1	2019178752	JJDLKSNFVRLUKF-UHFFFAOYSA-N	243.307	-0.488	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)C12CCC2	2023236377	KMGFIVZERHEFHN-NXEZZACHSA-N	241.335	-0.010	50	10	BBGE	
CN(CCC#N)C[C@]12C[C@](C(=O)NN)(CO1)C2	2023852797	IJXAXBFUTGQJPW-XYPYZODXSA-N	238.291	-0.629	50	10	BBGE	
C[C@@H](CN1Cc2cc(O)nnc2C1)C(=O)NN	2025568666	RRFSSAHNJSKAJL-LURJTMIESA-N	237.263	-0.876	50	10	BBGE	
Cc1cnn(C)c1Cn1nc(C)c(B(O)O)c1C	2036787742	DSMUNVNOEOXHGG-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
COC1CC2(C1)CN(c1ncccc1B(O)O)C2	2052498765	JPECTXCMGPHVDE-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1CCc2cc(B(O)O)ccc21	2055631144	LEFRWTNRPOCBFW-UWVGGRQHSA-N	249.050	-0.387	50	10	BBGE	
CCOc1cc(OC)c(F)c(B(O)O)c1	2060116653	FZPBWRDBYQOPAS-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1c(C(F)F)ccc(C=O)c1B(O)O	2060230558	ODZVVIYLHSNGKH-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
N#Cc1c(OC(F)F)cc(F)cc1B(O)O	2060260937	IAQYPWAWIWVIJO-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COCC[C@H]32)c1	2073060832	KWARSTVEJBPDBI-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1csc(COC2COC2)c1	2209687047	XNZUPGIXBISLRU-UHFFFAOYSA-N	214.051	-0.657	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@H]3C[C@H]32)c1	2212607199	HQQQIUMDYGXANU-FXBDTBDDSA-N	219.049	-0.061	50	10	BBGE	
CCCN(CC(N)=O)C[C@@H]1CC[C@H]1C(=O)NN	2215770872	DZXXVTXLBCYPKP-DTWKUNHWSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C[C@H]3C2=O)CCC1	2216529273	BIXHGFVWYOPGOT-RNFRBKRXSA-N	237.259	-0.849	50	10	BBGE	
Cc1cnc(N[C@H]2CCN(C)C2)cc1B(O)O	2217183490	LSNHOQXJHKYJPS-VIFPVBQESA-N	235.096	-0.814	50	10	BBGE	
CC[C@@H](CNc1nccc(B(O)O)c1F)OC	2217184694	RAHUUBQCQALJDC-ZETCQYMHSA-N	242.059	-0.263	50	10	BBGE	
C[C@@H]1NCCC[C@H]1Oc1ncccc1B(O)O	2217187497	ZMVAIVNLEPQMNY-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
CC(C)[C@H](N)CCOc1cc(B(O)O)ccn1	2217190319	MTAUSLFCZNKLQS-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@H]1C[C@H]1N	2217192557	OMVDECFIEPRACR-SHYZEUOFSA-N	240.043	-0.985	50	10	BBGE	
CCN(c1cc(B(O)O)ccn1)[C@@H](C)COC	2217195405	JVOSHAQRSRTAGA-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cccnc1N1[C@H]2CCC[C@@H]1CNC2	2223635953	DJIQKLWIDBJCET-AOOOYVTPSA-N	247.107	-0.908	50	10	BBGE	
Cc1cnc(N[C@@H]2CNCC2(C)C)cc1B(O)O	2223642730	MVUJFEYVJRWJGG-SNVBAGLBSA-N	249.123	-0.520	50	10	BBGE	
C[C@@H](O)CN(CCN)C[C@@H](Cl)C#N	2241657717	BACIVMFFYKPZHB-SFYZADRCSA-N	205.689	-0.241	50	10	BBGE	
Cc1cc(NC(=O)C#CB(O)O)ccc1O	2243356970	PILCLZKHTNEDLH-UHFFFAOYSA-N	219.005	-0.345	50	10	BBGE	
C[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)C#CB(O)O	2243362160	NBPQHVJLRPPSBR-OPRDCNLKSA-N	221.065	-0.209	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)o1	2243362611	UEOYFNBQMGLERI-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1sncc1B(O)O	2243377759	GQFYHTXRTXTTQF-SSDLBLMSSA-N	240.093	-0.649	50	10	BBGE	
COCC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243382031	KPTAHPRSYWGZKH-DTORHVGOSA-N	227.069	-0.656	50	10	BBGE	
C[C@@H](CCN)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243397346	ZIDVOSDHNPLMEC-CIUDSAMLSA-N	228.101	-0.565	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1=O	2243404315	MINCWSLJPDGYSC-NKWVEPMBSA-N	225.053	-0.366	50	10	BBGE	
C[C@@H]1[C@@H](N)CCN1C(=O)C1(B(O)O)CCC1	2243411621	XNCPPOGRHNSQSW-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1CO)[C@H]1C[C@H](B(O)O)C1	2243414719	HBZDRDJCEDYNQB-FNCVBFRFSA-N	227.069	-0.874	50	10	BBGE	
O=C(F)NCCc1c(F)cccc1B(O)O	2245299451	XGWSZNALTKTFSH-UHFFFAOYSA-N	228.991	-0.273	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCC[C@@H]1O	2247799168	AEVXTPMCYNKZRR-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2247806833	GMKBFNNIKKLDMS-IMSYWVGJSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCCOC1CCC1)[C@H]1C[C@H]1B(O)O	2247807151	QBIFZJKLWQRLAD-VHSXEESVSA-N	241.096	-0.075	50	10	BBGE	
O=C(C#CB(O)O)N1CCC(F)(C2CC2)CC1	2247851782	JYPRNKUNXPWAHX-UHFFFAOYSA-N	239.055	-0.258	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1coc(B(O)O)c1	2247853203	HUGGDGZUNVVXDB-HTQZYQBOSA-N	235.048	-0.512	50	10	BBGE	
CC(C)(O)C1CN(C(=O)C2(B(O)O)CCC2)C1	2247877735	JRGGOUFQGDDXFG-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
NC[C@]1(F)C[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247892873	IZOLPNHHNNQCHC-VPLSAZKJSA-N	244.075	-0.815	50	10	BBGE	
Cc1cc(=NC(=O)[C@@H]2C[C@@H]2B(O)O)c(C)c[nH]1	2247898798	HWELANBHTMVEBW-BDAKNGLRSA-N	234.064	-0.078	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247899336	MNCYMOBXHPGLTQ-ZYUZMQFOSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1N[C@H]2CC[C@H]1C21CC1	2247900652	YRDFKUWHMBXOQK-XGEHTFHBSA-N	236.080	-0.493	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2C[C@@H](O)[C@H]1C2	2247906655	ZLDQMYNVKGRMBA-HOTMZDKISA-N	239.080	-0.779	50	10	BBGE	
C[C@@]1(CN)CCCN1C(=O)C1CC(B(O)O)C1	2247911518	WMMVIZINWQUKJP-AMUVOQDHSA-N	240.112	-0.421	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248577695	OGJZKXKWHVMRND-FXQIFTODSA-N	243.068	-0.391	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H]1CC(N)=O	2249305872	SEYIBSGRLJWAHQ-IUCAKERBSA-N	242.323	-0.515	50	10	BBGE	
O=C(C[C@H]1CCCCO1)NCCC#CB(O)O	2249998365	HYFWYBVMEOJAJM-SNVBAGLBSA-N	239.080	-0.533	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC2(CC(F)C2)C1	2250367049	OAWUDGGXLNFILW-UHFFFAOYSA-N	239.055	-0.354	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2C[C@@H]2C1	2255444780	PEGAELGYAYHKCH-DTWKUNHWSA-N	249.075	-0.250	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cc(B(O)O)oc1C	2255454894	TZJRSEJXBGBGQQ-UHFFFAOYSA-N	249.075	-0.248	50	10	BBGE	
O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(B(O)O)o1	2255461419	HPMUZDGEXIWEAU-XIYPMJKBSA-N	247.059	-0.656	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255466544	AHNIRYVJXYNFST-VIFPVBQESA-N	246.075	-0.820	50	10	BBGE	
Cc1cccc(C(=O)N2C(=O)C[C@@H]2C)c1B(O)O	2255509306	JIHVIYQMYULIIK-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1cc(B(O)O)cn1C	2255509834	SYEYPGWJDWJUFN-GFCCVEGCSA-N	248.091	-0.763	50	10	BBGE	
C=C1CON(C(=O)c2cc(B(O)O)ccc2C)C1	2255511401	JILOXJUQTYZZIO-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(B(O)O)n[nH]1	2255552910	RBCLGTWIVBLGOV-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1CC=C(F)C1	2255688054	PRPNOORGTLINCB-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)NCC1CC1	2255691645	GIBIWILWXAGRSM-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N1CCC1(C)C	2257490511	CUSXPCYHURJBFD-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)c1cocc1B(O)O	2258147843	JJYLWQSTIZYZLD-UHFFFAOYSA-N	247.059	-0.368	50	10	BBGE	
O=C(Nc1ncco1)c1c(F)cccc1B(O)O	2263402736	SNOGNBARFBYZEV-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
COC[C@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165526	HVUNBEHAXDNZTA-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@@H]2C[C@H]2C1=O	2298165939	GYODUECDYUGSGK-UTINFBMNSA-N	237.303	-0.129	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]12)c1ccc(B(O)O)o1	2298367700	QZWIRVRQSFZHOF-CSMHCCOUSA-N	235.048	-0.512	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCCCO1	2298369542	XZXXWPXOOUXESG-YWVKMMECSA-N	241.096	-0.075	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCO[C@@H]12)C(=O)[C@@H]1C[C@H]1B(O)O	2298371275	GAMURDBJRKJEMF-VVULQXIFSA-N	239.080	-0.657	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1(B(O)O)CCC1	2298375152	RVYWVOADHNESRD-HLTSFMKQSA-N	239.080	-0.180	50	10	BBGE	
CN1CCC2(CC1)CCN(CCC(=O)NN)C2	2299231730	SQKNRQZLLVNICZ-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)C1(CO)CC1	2300371059	MIPILUMGDHUXSM-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(O)CON(CCCCCCC(=O)NN)C1	2300625593	UGOSDBIFTWCPBD-LLVKDONJSA-N	245.323	-0.075	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1coc(B(O)O)c1	2301197086	DUOZLOBCPPHEFA-BQBZGAKWSA-N	237.064	-0.266	50	10	BBGE	
C#C[C@@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301421796	ZUTJLTIAUYBTAK-SECBINFHSA-N	231.060	-0.140	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)C[C@H]1CCO1	2302382560	HLBBLOXPRDQUMJ-SSDOTTSWSA-N	240.263	-0.501	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@H]1F	2303834609	IXHZCNDOFOGWHW-HZGVNTEJSA-N	242.034	-0.305	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]21	2312848032	GOLNEIAXPZAQRD-ZZZDWPBISA-N	247.103	-0.105	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cc2C#N)C[C@H]1O	2317150198	BTWCHOQAWGKQOZ-PRHODGIISA-N	246.075	-0.945	50	10	BBGE	
CCC1(Nc2ccc(B(O)O)cc2C#N)CNC1	2317164601	BLYHDDFXWKMAEN-UHFFFAOYSA-N	245.091	-0.598	50	10	BBGE	
C#Cc1ncccc1Nc1ncccc1B(O)O	2322529611	JKJUUFWIJGULAW-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
CN(CC(N)=O)C(=O)NC(=O)CCCl	37269377	UAJDUFIAUNUDJD-UHFFFAOYSA-N	221.644	-0.731	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](O)C1	82468676	QRDUFAYWFCMXQG-YUMQZZPRSA-N	201.270	-0.933	50	10	BBGE	
CCO[C@@H]1CCCN([C@@H](C)C(=O)NN)C1	82470903	UFHXFQVBZNESTC-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CCCN1CCN2CCC[C@H]2C1	86933496	YDKFBOCCYMAOGK-JTQLQIEISA-N	226.324	-0.464	50	10	BBGE	
O=C([C@@H]1COCCO1)N1CCO[C@H](CCl)C1	88096207	GZRUYYSLGMCGIM-BDAKNGLRSA-N	249.694	-0.132	50	10	BBGE	
CCN(CC(=O)NC(C)C)[C@H](C)CC(=O)NN	110591337	HAZMMARLUQCPEI-SECBINFHSA-N	244.339	-0.399	50	10	BBGE	
NC(=O)N(CCC[C@@H](N)C(=O)O)N=O	111478990	IGVHCIMYWZQFFC-SCSAIBSYSA-N	204.186	-0.759	50	10	BBGE	
CN(C)NC(=O)N(C)CCCC(=O)O	149062365	WMTHORLPZIVGKZ-UHFFFAOYSA-N	203.242	-0.031	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H](C)C(=O)N1CCOCC1	159170924	FJTOUHOBHIDRHH-JGVFFNPUSA-N	248.710	-0.023	50	10	BBGE	
CC(C)NC(=O)[C@@H](C)NC(=O)NC(=O)CCl	162614065	PQSINLIBGNHINJ-ZCFIWIBFSA-N	249.698	-0.036	50	10	BBGE	
C1CO[Si]2(OC1)OCCNCCO2	197078539	RGBZYCXZMSFZFL-UHFFFAOYSA-N	205.286	-0.505	50	10	BBGE	
O=C(Cl)c1cc(B(O)O)cc([N+](=O)[O-])c1	201804688	UFIRQCKOSYSVHZ-UHFFFAOYSA-N	229.384	-0.346	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1nccc1C	203620078	MQNTXMNSCKSTSH-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	211806905	MBJDWWRZXRQUPB-RKDXNWHRSA-N	242.323	-0.515	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](O)C1	216482328	GRPUHIGHVKRLDF-BDAKNGLRSA-N	215.297	-0.542	50	10	BBGE	
CN(C)CCOc1ccc(B(O)O)cc1C=O	221143733	GSXUXJSKNUCGEJ-UHFFFAOYSA-N	237.064	-0.881	50	10	BBGE	
O=S1(=O)NCCN1CCCBr	306504272	YSNSMJLABHMNJH-UHFFFAOYSA-N	243.126	-0.079	50	10	BBGE	
O=C(CCl)N1CCC(O)(CO)CC1	307225582	DCHPEPQTEQGOHU-UHFFFAOYSA-N	207.657	-0.429	50	10	BBGE	
CN1CC(NC(=O)NC(=O)CCl)C1	307555733	NQUZHKBCDJVIPV-UHFFFAOYSA-N	205.645	-0.635	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)C(F)F	307574429	HCPDUIXTDPAAIF-UHFFFAOYSA-N	206.070	-0.039	50	10	BBGE	
O=C(CCBr)N[C@@H]1COC[C@@H]1O	307632981	QPJOUCXTNCAKDS-RITPCOANSA-N	238.081	-0.353	50	10	BBGE	
CCNCC(=O)NNC(=O)c1ccco1	309041462	LLCDRTOSBWBCBC-UHFFFAOYSA-N	211.221	-0.350	50	10	BBGE	
Nc1cc(B(O)O)c(F)cc1OC(F)(F)F	321769865	XTRUQEWUFBJPSN-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
CCOC(=O)CO[C@H]1CNNC(=O)[C@@H]1Cl	379845822	HVVPPNLGUXISRO-CAHLUQPWSA-N	236.655	-0.824	50	10	BBGE	
CC[C@H](Sc1n[nH]c(=NC)s1)C(=O)NN	385259622	VAWKMXXYVOLFAJ-BYPYZUCNSA-N	247.349	-0.138	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCN2CC[C@H]1C2	394337299	VGZHHYZQCDYTJJ-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	395100858	MDKBYTAFZLUOMI-IWSPIJDZSA-N	215.297	-0.400	50	10	BBGE	
OCc1c(O)sc2cccc(B(O)O)c12	396367464	DEJWCQWQWURPKM-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(C[C@@H](C)C(=O)NN)C1	398793422	GKRKRBPPUAPVMA-OPRDCNLKSA-N	229.324	-0.437	50	10	BBGE	
C[C@H]1COCCCN1Cc1cccc(B(O)O)c1	398959173	XUWORMSOBSMBJK-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
COC1(CO)CCN([C@H](C)CC(=O)NN)CC1	402741938	WXAOEEFUHVCGLP-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ccon1	404955419	WRCOCVGOBNTITI-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
CC1(CNC(=O)c2cccc(B(O)O)c2)COC1	584945834	UQRRSZWTXGKIAY-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)N2CC[C@H](B(O)O)C2)O1	585067613	YUGMVLJFROLMIJ-HRDYMLBCSA-N	227.069	-0.371	50	10	BBGE	
NC(=O)C[C@@H]1CCN(C(=O)CCl)C1	690795018	KGUYWHLRAFFZRL-LURJTMIESA-N	204.657	-0.051	50	10	BBGE	
CCN(CCC(=O)NN)C(C)(C)CO	690901323	FVPPPTKXFKMDIQ-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CCN(CC)C1CN([C@H](COC)C(=O)NN)C1	697809318	SRSKHNNDPUMIKJ-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
CN1CCN(C(=O)CCl)[C@@H](CO)C1	699486199	IMHGBMLMNQUMJU-SSDOTTSWSA-N	206.673	-0.640	50	10	BBGE	
CNNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	704644483	MAMYYQPVONLEPL-IMTBSYHQSA-N	229.305	-0.309	50	10	BBGE	
CN(C)C[C@@H](CO)NS(=O)(=O)CCl	716670464	JRBPFSCAOOGLHN-LURJTMIESA-N	230.717	-0.975	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC(=O)NN)CCO1	721476376	AFZJMHOKROLVFP-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
COc1cc(CN(C)CCC(=O)NN)sn1	722402415	GHYHUXJINKMAFG-UHFFFAOYSA-N	244.320	-0.037	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@@H](CO)C1	725627999	APZGYKAQJDMZLJ-FSDSQADBSA-N	207.657	-0.575	50	10	BBGE	
CNC(=O)NNC(=O)[C@]12CCC[C@H]1OCC2	864991980	BJUJCUFCPVLVEP-XCBNKYQSSA-N	227.264	-0.094	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)NC1CC1	900383475	UBIZJWGDMOBLFY-XDVGHUOJSA-N	213.237	-0.584	50	10	BBGE	
NC[C@H](NC[C@@H]1C[C@H]1Br)C(=O)O	1877411793	PCPAXPRZYZHUTA-JKUQZMGJSA-N	237.097	-0.229	50	10	BBGE	
C[C@@H](COCC(=O)NN)NC(=O)OC(C)(C)C	1880029261	ARLOYQYTSOLTSY-ZETCQYMHSA-N	247.295	-0.094	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2Cl)C(=O)CN1	1883552659	NSNBEDHAOGXCLR-RITPCOANSA-N	202.641	-0.428	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NNCCO)CCO1	1886004008	YNVHHPJTXIKZOE-YUMQZZPRSA-N	202.254	-0.585	50	10	BBGE	
CO[C@@H](C)COCC1(C(=O)NN)CC1	1886079200	MTVOYBOQBMDUJS-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
N[C@H](CS(=O)(=O)C[C@@H]1C[C@H]1Cl)C(=O)O	1893120773	YKHXZPVOBYEBHX-KVQBGUIXSA-N	241.696	-0.560	50	10	BBGE	
O=C1NC[C@H](CNC(=O)[C@H]2C[C@H]2Cl)O1	1893470258	QURGPHOXQGYCBN-HCWXCVPCSA-N	218.640	-0.162	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCCC[C@H]1O	1895121896	ODUKDZSBUCHHEF-HTQZYQBOSA-N	229.280	-0.872	50	10	BBGE	
CN(NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)S(C)(=O)=O	1901344707	VDPBOFNNDHTGGD-RNJXMRFFSA-N	247.320	-0.951	50	10	BBGE	
C[C@H]1COCCN1Cc1nc(B(O)O)cs1	1902637036	GIDBJXBWCLYDJX-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CCc1ccnn1Cc1nc(B(O)O)cs1	1902656790	MXTKUZFYSPIMRH-UHFFFAOYSA-N	237.093	-0.370	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	1905583321	IBFHJBMSSKFQLA-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H](CN1CCSC1=O)C(=O)NN	1912229569	SKAHJHMKDNRDJE-YFKPBYRVSA-N	203.267	-0.219	50	10	BBGE	
CC[C@H]1CCOCCN1CCC(=O)NN	1913640220	UXZOTJPEMSGNDJ-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H]1C)C(=O)NN	1914255072	LPLCSRWGJQAZLL-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
COC1CC(N(C)Cc2cccc(B(O)O)c2)C1	1914804115	WJWKPBPVHZNEHF-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
N#CC1=CCN(c2cc(NN)[nH]c(=N)n2)CC1	1917091164	YCUSQIZCDSVIAI-UHFFFAOYSA-N	231.263	-0.165	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@@H]1CCC[C@H]1O	1923209216	PIHGWWGLLJUULS-RFZPGFLSSA-N	240.181	-0.143	50	10	BBGE	
C[C@H]1COC[C@H]1OC[C@@H]1C[C@H]1C(=O)NN	1927915519	IEWHFPQDWDXCLJ-RBXMUDONSA-N	214.265	-0.336	50	10	BBGE	
C[C@@H](OCCOCC(=O)NN)C(F)(F)F	1928178827	JNTADBYIRCVNHC-RXMQYKEDSA-N	230.186	-0.040	50	10	BBGE	
O=C(CBr)Cn1cnnn1	1928692549	QLUPYDSXNRRSMB-UHFFFAOYSA-N	205.015	-0.363	50	10	BBGE	
Cc1cccc(O)c1C(=O)NNCCO	1929833042	CCDONDIAQYYRTF-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
O=C(NNCCO)c1ccc(O)cc1F	1929837105	UUUBYPHTXDVBTL-UHFFFAOYSA-N	214.196	-0.242	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1CO	1935929274	NWSTUMMDLGHIDD-NKWVEPMBSA-N	237.250	-0.828	50	10	BBGE	
CC[C@@H]1COCCN1CC(F)(F)C(=O)NN	1935943436	DCVKQBDRCHPPPY-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
CC(C)COCCOCCOCC(=O)NN	1936532671	IRYMWBQKVQSDFH-UHFFFAOYSA-N	234.296	-0.318	50	10	BBGE	
CC(C)[C@H](OC[C@@H]1COCCO1)C(=O)NN	1939102820	VFHHOSAXXAKXPD-IUCAKERBSA-N	232.280	-0.567	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC[C@H]1CO	1941087695	NIIAQQHXGKGGMZ-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
CN(C)NC(=O)N1CC([C@H](F)C(=O)O)C1	1957703749	MPXMMHTZYQUNBX-LURJTMIESA-N	219.216	-0.473	50	10	BBGE	
CN(C[C@@H]1CO[C@@H]2COC[C@@H]21)C(=O)NN	1958050778	IYRFRRVMQTUJQF-BWZBUEFSSA-N	215.253	-0.837	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1958735274	ZFSCKNBNEJZKKO-CIUDSAMLSA-N	212.297	-0.999	50	10	BBGE	
CN(C)C(=O)OC1CN(C[C@H](O)CCl)C1	1960165073	YLRBDHRKSGGHJS-SSDOTTSWSA-N	236.699	-0.032	50	10	BBGE	
NNC(=O)CN1CC2(CCCC2)CC1=O	1961283282	OBFCURLCQDDATB-UHFFFAOYSA-N	211.265	-0.231	50	10	BBGE	
Cn1nnc(C(=O)N2CC(F)(CCl)C2)n1	1961760584	ISGBUYQUWOFGBL-UHFFFAOYSA-N	233.634	-0.387	50	10	BBGE	
C[C@@H](CN=[S@](C)(=O)N1CCCC1)C(=O)NN	1979784077	FPYUHVYSVFNPMH-PWJLMRLQSA-N	248.352	-0.279	50	10	BBGE	
COC1(CF)CN([C@H](C)[C@H](C)C(=O)NN)C1	1980376109	DOTGDHWRZBOJPZ-JGVFFNPUSA-N	233.287	-0.329	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@]2(C1)NC(=O)NC2=O	1980854541	SWQNOANGQUPARO-MUWHJKNJSA-N	242.666	-0.599	50	10	BBGE	
CC1(C)CCCN1c1ncc(B(O)O)cn1	1981408425	AIPNBIFQLWFQSM-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]2C)n1	1981469688	WVROHDGKHZSFSV-ZCFIWIBFSA-N	221.069	-0.628	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C[C@H]1CC[C@@H](C(=O)NN)O1	1981532438	GMBQUURJUHDRGU-IMSYWVGJSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H](CN1C[C@H](C(F)F)CC1=O)C(=O)NN	1982224871	SGSXFCBEIBMWBD-NTSWFWBYSA-N	235.234	-0.274	50	10	BBGE	
O=C1NCC2(CCN(C[C@H](O)CCl)CC2)N1	1983847806	OJIBMKFPCAMTNA-MRVPVSSYSA-N	247.726	-0.267	50	10	BBGE	
CC(C)[C@]12CC[C@H](NC(=O)C(=O)NN)[C@H]1C2	1984311975	MACDBFRZFVAFFI-VHSKPIJISA-N	225.292	-0.083	50	10	BBGE	
CO[C@]1(CN(C)CCC(=O)NN)CCSC1	1987014256	GRPPRYAUMUUHIO-JTQLQIEISA-N	247.364	-0.180	50	10	BBGE	
COCC1CC2(C1)CN(CCC(=O)NN)C2	1987154888	ZUKGTWVWIHYOTQ-UHFFFAOYSA-N	227.308	-0.275	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H]1C[C@@H]1C(=O)NN	1987562328	KJNWJEXBBTVCMY-QEYWKRMJSA-N	224.308	-0.999	50	10	BBGE	
O=C(CC[C@H]1CCOC1)NCC=CB(O)O	1991336820	KVAJZRNYFCPREF-VIFPVBQESA-N	227.069	-0.513	50	10	BBGE	
O=C(O)CN1CCN(C[C@@H]2C[C@H]2Cl)CC1=O	1991436658	AOVIZWAQLOLTSL-JGVFFNPUSA-N	246.694	-0.158	50	10	BBGE	
NCCO[C@H]1CCN(C(=O)C=CC(=O)Cl)C1	1991652451	NNXBFPGIRZEFLM-QMMMGPOBSA-N	246.694	-0.116	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCNC[C@H]1CO	1991652864	SJNOBFUDTUZOGT-JGVFFNPUSA-N	246.694	-0.605	50	10	BBGE	
CN1CC[C@@](O)(CNC(=O)C=CC(=O)Cl)C1	1991653926	FHIAHMMRLYSPLY-SNVBAGLBSA-N	246.694	-0.509	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCC(=O)NC1=O	1991654060	GXFMWUYSDIYZRJ-YFKPBYRVSA-N	244.634	-0.771	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]3Cl)[C@@H]21	1991682174	HMBKVKMKNRHGLB-HNEXDWKRSA-N	245.662	-0.076	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]2CC[C@@H]2C1	1992140811	MWBIHIDMLVQZLC-ILWJIGKKSA-N	221.065	-0.446	50	10	BBGE	
OB(O)c1cnc(OCc2ccsc2)nc1	1993494026	PSYNMTJNXZKNEH-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	1995620233	MYSPPQXHLWVXQZ-SDVPDMNUSA-N	221.304	-0.192	50	10	BBGE	
CN(Cc1cnco1)c1ccc(B(O)O)cn1	2004913073	AZFMBJVJFWDFRQ-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](CO)C2(CCCC2)C1	2006546930	IPHXUCFXIXLIQU-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@H](OCCN1CCOCC1)C(=O)NN	2007033529	ATHWARNKUJUNBH-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
Cc1ccnc(C)c1C(=O)NCC=CB(O)O	2020062831	UVNYGFLPLDPSJL-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
Cc1cc(N2[C@H]3COC[C@H]2C3)ncc1B(O)O	2021408900	JTEOCHMZSDDEEU-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
COC[C@H](C)OC[C@]12C[C@](C(=O)NN)(CO1)C2	2023853206	KXMHKVSPSMDWOB-LSJOCFKGSA-N	244.291	-0.423	50	10	BBGE	
OB(O)c1cnccc1OC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2026822288	VDRBVQFOTDIBOR-FNCVBFRFSA-N	231.060	-0.205	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H](C3CC3)C2)nc1	2052472768	SRAGMEQVFQVYGP-SNVBAGLBSA-N	247.107	-0.217	50	10	BBGE	
C[C@H]1CN(C)CCCN1c1ccc(B(O)O)cn1	2052473971	XDXNNYUXDBTNIF-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(-n2cc(C(C)C)cn2)ncc1B(O)O	2052598451	ZGXWDENVUKPLRG-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@@H](C)[C@@H](C)C2)n1	2052619296	DCUKFXYQHXPTSK-OCAPTIKFSA-N	249.123	-0.135	50	10	BBGE	
Cc1nc(N2C[C@H]3CO[C@@H](C3)C2)ccc1B(O)O	2052619615	HTDCZLCHZDAJKT-UWVGGRQHSA-N	248.091	-0.705	50	10	BBGE	
Cc1cnc(N2CC[C@H](N(C)C)C2)c(B(O)O)c1	2052626383	VAMFMEGCILNNKO-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
O=Cc1cc(B(O)O)c(Cl)cc1F	2060106317	WVZNRDNMRRCRRF-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
CCOc1cc(C=O)c(C#N)c(B(O)O)c1	2060185198	KTIFQUBLZKYAQJ-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
CCOc1c(B(O)O)ccc(C#N)c1OC	2060203133	VNXRITDYYVMUQA-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(C#N)cc1B(O)O	2060283193	BTZUNGAZZXHCQE-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(C=O)c1B(O)O	2060285078	UXGBYXVHLFKQHH-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
Cn1ccc(C2CN(CC3(C(=O)NN)CC3)C2)n1	2074815636	LDNCHZIEAQDNRC-UHFFFAOYSA-N	249.318	-0.411	50	10	BBGE	
Cc1cc(N2CC[C@H]3COC[C@H]32)ncc1B(O)O	2077844004	LLXQHTBGTJRFNE-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccc(COC2COC2)s1	2209686726	SXFCTPDVOASJBN-UHFFFAOYSA-N	214.051	-0.657	50	10	BBGE	
C[C@H](N)[C@H](C)COc1ncccc1B(O)O	2212601017	HLBITPQVUGEECK-SFYZADRCSA-N	224.069	-0.877	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CCc1cnn(C)c1	2213539327	QSLIGYSZSLSDOE-SECBINFHSA-N	239.323	-0.337	50	10	BBGE	
Cc1cn(Cc2ccc(B(O)O)s2)ccc1=O	2214513440	MBHIBALLKCNSRD-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@]3(O)C2)CCC1	2216495090	JZRKEDBJMPNGEY-CABZTGNLSA-N	239.319	-0.397	50	10	BBGE	
CC1(C)[C@H](O)CN1CC1(C(=O)NN)CCCC1	2216883118	HCLYRTPBZKGBAC-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cnc(N2CCCCCO2)cc1B(O)O	2217182025	YCYNUEFARTWUFX-UHFFFAOYSA-N	236.080	-0.008	50	10	BBGE	
C[C@@H](CNC1CC1)Oc1cc(B(O)O)ccn1	2217186980	RKMVECPLCDMIOY-QMMMGPOBSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2nccc(B(O)O)c2F)CO1	2217190464	NMNMCJFTXYVPKV-RNFRBKRXSA-N	241.027	-0.543	50	10	BBGE	
C[C@H]1C[C@H](CN)CCN1c1ccc(B(O)O)cn1	2223633957	DFIJPJKJHIPWEN-VHSXEESVSA-N	249.123	-0.675	50	10	BBGE	
Cc1nc(C)c(CNc2ccc(B(O)O)cn2)o1	2223639694	SLVCMUJRAHMCGD-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cnc(NC[C@@H]2CCCNC2)cc1B(O)O	2223650479	MZKMSSBOFOINPT-SNVBAGLBSA-N	249.123	-0.519	50	10	BBGE	
NC1C[C@@H]2CC[C@H](C1)N2c1cc(B(O)O)ccn1	2223677973	VOBYDAIAGNWUQM-FGWVZKOKSA-N	247.107	-0.780	50	10	BBGE	
NNC(=O)Cn1nc(Cl)nc1Cl	2241275659	RCDGCLBKGRIZQM-UHFFFAOYSA-N	210.024	-0.425	50	10	BBGE	
CO[C@@H](C)CNC(=O)[C@H]1C[C@H]1B(O)O	2241496046	OUHZIVBDHFLEBX-LYFYHCNISA-N	201.031	-1.000	50	10	BBGE	
CC(C)(F)CNC(=O)[C@H]1C[C@H]1B(O)O	2241496061	OXRVSDJQEVLGDG-NTSWFWBYSA-N	203.022	-0.286	50	10	BBGE	
OC[C@H](O)[C@H]1CCN1C[C@@H](O)CCl	2241810503	FBNHMGPWFNHVEY-RNJXMRFFSA-N	209.673	-0.986	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@H]1CC[C@H]1O	2242418817	IISGVOHUEDSDCY-UHNVWZDZSA-N	226.248	-0.132	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)NCCF	2243374739	JJGLTLILDDKXHC-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
C=C(F)CN(C)C(=O)c1cc(B(O)O)cs1	2243378277	PUAZQKXAKNZCLX-UHFFFAOYSA-N	243.068	-0.017	50	10	BBGE	
CC(C)[C@H](N)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381368	FOECIIJRYYEMOP-HRDYMLBCSA-N	228.101	-0.661	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ncsc1B(O)O	2243397432	BDNTVPIULMZCAN-LURJTMIESA-N	238.077	-0.729	50	10	BBGE	
Cc1nc(C(=O)N[C@@H](C)CF)c(B(O)O)s1	2243413381	FIPFSAGEFARCLC-BYPYZUCNSA-N	246.072	-0.781	50	10	BBGE	
O=C(NCCCN1CCC1)[C@H]1C[C@@H]1B(O)O	2243415505	WOGXZRAXZMPHGP-IUCAKERBSA-N	226.085	-0.939	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1cc(B(O)O)co1	2244212673	TXXLEXRIGKMMOW-XPUUQOCRSA-N	223.037	-0.560	50	10	BBGE	
N[C@H]1C[C@@H]1COc1cc(B(O)O)c(Cl)cn1	2245912658	DWPQCFZIDUWADS-XRGYYRRGSA-N	242.471	-0.859	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC=C(F)C1	2247732100	BVPCMRHBWRHMOG-UHFFFAOYSA-N	239.011	-0.423	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@H]2C[C@H]21	2247740984	SHWUKMALRSWKBO-IONNQARKSA-N	235.048	-0.416	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1cc(B(O)O)c[nH]1	2247746958	GYJZAKVOZGIGHS-VIFPVBQESA-N	236.080	-0.291	50	10	BBGE	
C#CCN(CC#N)C(=O)c1ccsc1B(O)O	2247748421	CXSIIRYTTYBQOI-UHFFFAOYSA-N	248.072	-0.973	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C(C)(F)F	2247750126	FENCHJKLLCLSDQ-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
C[C@H]1CNC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247755439	QAAZXCORBNXUNU-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
C=CCNC(=O)c1ccc(OC)cc1B(O)O	2247768419	RFYJLAWRDKODIA-UHFFFAOYSA-N	235.048	-0.709	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cn1	2247768890	AKIPBALACIXTRU-VXNVDRBHSA-N	234.064	-0.710	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@H]1N	2247786863	HUQDHWUMPGPZST-HRDYMLBCSA-N	240.112	-0.565	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@]2(O)C[C@H]2C1	2247806603	GHSQFGQAASWUNZ-IEZMZVKSSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@H]1O2)[C@H]1C[C@@H]1B(O)O	2247808895	WORWAKXZMLJBEU-RXKWGBCNSA-N	239.080	-0.325	50	10	BBGE	
CCN(CCNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247852413	UFPIQIITBXAYJG-ZJUUUORDSA-N	240.112	-0.550	50	10	BBGE	
CCC[C@H]1C[C@H](N(C)C(=O)C#CB(O)O)CO1	2247852426	UKYSDPDWRSMXEN-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C=CCC2)oc1B(O)O	2247852838	AOIRZOBLCABURB-MRVPVSSYSA-N	235.048	-0.284	50	10	BBGE	
COCC1(CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247859331	MBNWBLZMQJTPDG-BDAKNGLRSA-N	241.096	-0.266	50	10	BBGE	
Cc1cc(CNC(=O)[C@@H]2C[C@H]2B(O)O)ccn1	2247860029	QVCZDKREUQQHJU-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
CCc1nn(C)cc1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247860251	UHOPCTOZFVPVLX-RQJHMYQMSA-N	237.068	-0.216	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ccoc2B(O)O)C1	2247867885	ABUPBWOZPLBAIF-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
C=C(C)CNC(=O)c1c(C)cccc1B(O)O	2247873397	BEWXDBINPFBOIR-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N[C@@H]1CC12CCOCC2)C1(B(O)O)CC1	2247879607	WFNZZDMZORCAMO-MRVPVSSYSA-N	239.080	-0.321	50	10	BBGE	
CN(CC1(CO)CC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247896217	YDBVABIUSZPTDI-KYZUINATSA-N	241.096	-0.530	50	10	BBGE	
C[C@H]1CNC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247904092	OSONMCHHWVHELB-WOOKNIGNSA-N	240.112	-0.646	50	10	BBGE	
O=C(C(F)F)N1CCc2ccc(B(O)O)cc21	2248395236	IRNDOJUHYFCSDN-UHFFFAOYSA-N	241.002	-0.479	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248574811	VELBVKOVOSRRIQ-CSMHCCOUSA-N	243.068	-0.391	50	10	BBGE	
CCC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248577694	OGJZKXKWHVMRND-BWZBUEFSSA-N	243.068	-0.391	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](C2)[C@@H]3O)CCC1	2249567247	OVFCCMWEDCBMAU-MYJAWHEDSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H](C1)[C@@H]2O	2249568329	TZSSNHXSMVSNLN-NZFPMDFQSA-N	239.319	-0.685	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1[C@@H]2CCC[C@@H]12	2255468335	ZLUSJZOUMAEITN-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1Cc2ccccc2CN1	2255582699	IHGIFVUJCUQBKY-GHMZBOCLSA-N	246.075	-0.104	50	10	BBGE	
C#CC#CCNC(=O)Nc1ccccc1B(O)O	2255893806	VBEDCDGXWFYPGI-UHFFFAOYSA-N	242.043	-0.876	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1cocc1B(O)O	2258138186	HESTZLJWDWZQLB-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1cc(B(O)O)c[nH]1	2258945413	GOXXRSOCMKDESB-SNVBAGLBSA-N	246.075	-0.678	50	10	BBGE	
C#CC1(NC(=O)c2cccc(C)c2B(O)O)CC1	2258948457	XVRNDOCZRIWERU-UHFFFAOYSA-N	243.071	-0.430	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298371234	DNXMYLYJRUTUDE-YSSBGUOXSA-N	239.080	-0.656	50	10	BBGE	
CC(C)[C@@H](C)[C@H](N)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298374646	HCDBDVKAUWHWMT-ZYUZMQFOSA-N	242.128	-0.415	50	10	BBGE	
CO[C@]12CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298375220	ALFSNMJAACSXTE-KBIXCLLPSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298375269	CHMMVPGBZOIIII-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
CN1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H]1B(O)O	2298376648	HDLUNGYLYUGMAQ-IVZWLZJFSA-N	240.112	-0.550	50	10	BBGE	
CC1([C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C(=O)O)CC1	2298464109	QKSBFKAUSHLKDM-QYNIQEEDSA-N	241.052	-0.781	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1CC1(C(=O)NN)CC1	2299981225	OOBCQNYRULNIIP-ONGXEEELSA-N	241.335	-0.008	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NN1CCCC1	2301342345	XYDMCHXBSBZOFN-UHFFFAOYSA-N	231.064	-0.339	50	10	BBGE	
CCN(C)C[C@H](O)CN1CC[C@](C)(B(O)O)C1	2303097416	OKAKLVREISLMRN-QWRGUYRKSA-N	244.144	-0.762	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2CCCOC2)C1	2303104899	MNBJIRMYGSCNKX-KOLCDFICSA-N	241.096	-0.122	50	10	BBGE	
C=CC[C@@H]1COC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2303967801	RPYWTQKYALHNSF-UTINFBMNSA-N	239.080	-0.443	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2304012382	RPYWTQKYALHNSF-KATARQTJSA-N	239.080	-0.443	50	10	BBGE	
C#CCN(CCF)c1ccc(C=O)c(B(O)O)c1	2317350924	ZWVQZQRRWQEESL-UHFFFAOYSA-N	249.050	-0.412	50	10	BBGE	
COC(=O)CS(=O)(=O)NCCCCl	49061502	ILJJMNZJUVLJFY-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
C[C@H](CSc1nc(N)cc(=O)[nH]1)C(=O)NN	82473198	MKOMLSDCJDKZFR-SCSAIBSYSA-N	243.292	-0.930	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(CO)CC1	86313259	MZOUOEMGMRKIQN-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CN(CC1CC(O)C1)CC(C)(C)C(=O)NN	86598071	ZJRWJJBEXCOXSS-UHFFFAOYSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)CCCn1nnc(-c2ccco2)n1	104117129	KXXCFDULRALRBL-UHFFFAOYSA-N	236.235	-0.297	50	10	BBGE	
Cc1nc(C)n(C[C@@H]2CC[C@@H](C(=O)NN)O2)n1	110602984	RUHGBHDZFLFFFC-IUCAKERBSA-N	239.279	-0.568	50	10	BBGE	
C[C@H](CO)N(C)Cc1occc1C(=O)NN	125434256	LEQOWMKKYALFCW-SSDOTTSWSA-N	227.264	-0.304	50	10	BBGE	
CC(=O)N1CCN(C[C@H](O)CCl)CC1	157939276	SRMQMIRAOSLOSC-SECBINFHSA-N	220.700	-0.250	50	10	BBGE	
CC(C)CCC(=O)NNS(=O)(=O)N(C)C	172891920	MUMVCJFKTCFDHQ-UHFFFAOYSA-N	237.325	-0.150	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCNCC1	211962884	DTRTXMDTNYSQAY-VIFPVBQESA-N	214.313	-0.560	50	10	BBGE	
COc1cc(-n2cccn2)ccc1B(O)O	217839001	LGDMQFAYQWQKHO-UHFFFAOYSA-N	218.021	-0.439	50	10	BBGE	
C[C@H](CCN1CC(=O)OC(=O)C1)[S@](C)=O	229872348	WVRLNZLTYPTYFS-MLXNANBUSA-N	233.289	-0.471	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCSC	232420696	MRWPYSJLOORTCU-SSDOTTSWSA-N	221.326	-0.714	50	10	BBGE	
C[C@H](CN1CCC[C@H]1CN(C)C)C(=O)NN	251095618	LGRPUFWLVFTYPO-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1OC	300046177	RAMVBBHTAXYTSY-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CCNC(=O)CS[C@@H](C)C(=O)NN	300788691	COILDOWDKDJPLB-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
CC1(C)O[C@@H]2C(=O)O[C@H]([C@@H](O)Cl)[C@@H]2O1	306265935	BMFFBRCBPHEFNE-OMMKOOBNSA-N	222.624	-0.011	50	10	BBGE	
NC1=NC(=O)CC([C@H](Br)C(=O)O)=N1	306282907	IMDYNSORXGGYKZ-BYPYZUCNSA-N	248.036	-0.480	50	10	BBGE	
C[C@H](CN1C[C@H](O)C[C@H]1C)C(=O)NN	307226059	FPLFLDSNJPUMOV-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)NCCn1cc(Cl)cn1	307477678	IFJQRKDTMYMRKJ-UHFFFAOYSA-N	203.633	-0.291	50	10	BBGE	
CCN1CCCN(CCC(=O)NN)[C@H](C)C1	320671842	JQUKGVUKROAUTO-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CO)[C@H]1C	385611251	FGXQWUYDBNZWEI-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)c1cc(B(O)O)cc2cc(O)sc12	396373983	AUAIKHQRGRUIJU-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](CNC(=O)CCCCl)S(N)(=O)=O	398215578	ADTQSNXAHRPNJQ-ZCFIWIBFSA-N	242.728	-0.201	50	10	BBGE	
CC(C)[C@H](C)CN(C)C(=O)C(=O)NN	399577470	GWLSJNMYQXNFFS-SSDOTTSWSA-N	201.270	-0.273	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCOC[C@@H](C)C1	399696658	VAQJOVLLNPGXMT-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
CC[C@@H]1CN(CCCC(=O)NN)C[C@H]1O	399887698	GWXIDDDCNPXWBW-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
CCCOCC(=O)Nc1ccc(B(O)O)cc1	404917445	QHCUMABZYJJKCS-UHFFFAOYSA-N	237.064	-0.269	50	10	BBGE	
CC1(C(=O)NCc2sccc2B(O)O)CC1	404967595	KOOLELIIMIHWHK-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
CC(=O)NNC(=O)C[S@@](=O)C1CCCC1	586365547	PFGWMCZPRFBYHJ-OAHLLOKOSA-N	232.305	-0.155	50	10	BBGE	
C[C@H](CC(=O)NN)N1[C@H]2CC[C@H]1CN(C)C2	687257908	CXULWMOZEQMGRE-UTLUCORTSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1CN(C)C2)C(=O)NN	687258961	YOJXUHIWVIABKU-GUBZILKMSA-N	226.324	-0.609	50	10	BBGE	
CN1CCN(C(=O)c2cnn[nH]2)C[C@@H]1CCl	687598415	DJLSJRRFABZTTH-ZETCQYMHSA-N	243.698	-0.200	50	10	BBGE	
CCN(C[C@H](C)O)[C@@H](C)[C@H](C)C(=O)NN	692168628	ICQLQVZAJFNVTO-CIUDSAMLSA-N	217.313	-0.296	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](N)C1	695072463	YPBQMDPNSZEZOX-BDAKNGLRSA-N	214.313	-0.576	50	10	BBGE	
Cc1cncc(Cn2cc(B(O)O)cn2)c1	703716548	HUCZEUJPXNHUQY-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H]1COC[C@H]1OC(F)(F)C(=O)NN	705853090	DHDXSRQSUBLZFC-RFZPGFLSSA-N	210.180	-0.379	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)OC	727374197	YIRFAKFXHLAAGC-NTSWFWBYSA-N	229.236	-0.854	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@@H](C)O	787139756	KLGHMXNRBTTXOP-SSDOTTSWSA-N	223.232	-0.468	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cn(C)nc1Cl	814406626	FFHQWCYTFVNIDB-UHFFFAOYSA-N	245.670	-0.424	50	10	BBGE	
COC/C=C/C(=O)NNc1nnc(C)n1C	856048065	OZQKCYSRQOMQAV-SNAWJCMRSA-N	225.252	-0.231	50	10	BBGE	
CN1CCC[C@@H](C(=O)NN=c2cc[nH]cc2)C1=O	907258619	YSTGQTVGMCLLAH-JTQLQIEISA-N	248.286	-0.185	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCc1nc[nH]n1	1290193350	LCJJDKNMIAPDCP-UHFFFAOYSA-N	225.252	-0.459	50	10	BBGE	
Cc1ccc(O)c(C=NNC(=O)CCO)n1	1323529872	LQNTWARPCLDKNO-UHFFFAOYSA-N	223.232	-0.072	50	10	BBGE	
COc1ccc(NNC(=O)c2nnn(C)n2)cc1	1457617863	KJFFUIQKLZRILV-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
COC(=O)CC(=O)NNc1ccc(C#N)cn1	1471767760	FSUNJCMSFHAUGJ-UHFFFAOYSA-N	234.215	-0.041	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)N(C)C)nn1	1544265017	DUENRRAJRYJHLN-UHFFFAOYSA-N	223.236	-0.299	50	10	BBGE	
CC(=O)NNC(=O)C1(O)CCCCC1	1623586004	DAEDCSITEQDRJX-UHFFFAOYSA-N	200.238	-0.151	50	10	BBGE	
COc1cc(C#N)ccc1C(=O)NNC(=O)CO	1650912290	MIKVORJQQKZTBH-UHFFFAOYSA-N	249.226	-0.680	50	10	BBGE	
CC1(C)[C@@H](O)[C@H](O)CN1C(=O)CCl	1882320380	XQTWGIJMUARUNU-VDTYLAMSSA-N	207.657	-0.432	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)[C@H]2C1	1887071813	KCMZTAYBOLSEOC-ACZMJKKPSA-N	237.708	-0.131	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H](C)N	1888561616	GQRZPMVNHHGACM-ZCFIWIBFSA-N	223.298	-0.965	50	10	BBGE	
OB(O)c1csc(N2CCSC2)n1	1892065062	IMBLDMGDLXRDBG-UHFFFAOYSA-N	216.096	-0.666	50	10	BBGE	
N[C@H]1[C@H]2C[C@H]1N(C(=O)C=CC(=O)Cl)C2	1893416428	CLPSVACYIDTKMP-MYINAIGISA-N	214.652	-0.134	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1CCOC[C@H]1CO	1893452938	JJUCPPCIRSQCNP-GJMOJQLCSA-N	219.668	-0.167	50	10	BBGE	
O=C(NC[C@@H]1CNC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893454470	XDQZMRDCNWJJRB-XAMCCFCMSA-N	218.684	-0.690	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@@H]32)CC1	1895650534	QNFSHRZQGRUTHB-CIUDSAMLSA-N	225.292	-0.788	50	10	BBGE	
CCCN(C[C@@H]1CC[C@H](C(=O)NN)O1)OC	1896175424	HZERDMIBNVKJOQ-DTWKUNHWSA-N	231.296	-0.203	50	10	BBGE	
C=C(CN1CC[C@@H]2OCCO[C@H]2C1)B(O)O	1897284666	XOGRLHSTOSIERQ-UWVGGRQHSA-N	227.069	-0.956	50	10	BBGE	
CN(CCC[C@H]1C[C@H]1C(=O)NN)S(C)(=O)=O	1900502367	TZTKWTORATYCCG-JGVFFNPUSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1N(C)CCOCC(=O)NN	1901155120	XYNVZHRJHUZWKP-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cnc[nH]2)C1	1902514332	VVDKQUPZSTXIBK-SECBINFHSA-N	223.041	-0.511	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@@H]2CCCO2)C1	1902517150	GYWVKYZQMGNGQK-WCBMZHEXSA-N	227.069	-0.369	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H](F)[C@@H]2CCOC2)C1	1902546431	OCOYSXOOSKRDQF-OPRDCNLKSA-N	231.076	-0.090	50	10	BBGE	
CC(C)N1C(=O)CN([C@@H](C)CC(=O)NN)C1=O	1906941781	DGJXSTHSCYNGHE-ZETCQYMHSA-N	242.279	-0.573	50	10	BBGE	
C[C@@H](Cn1nc2n(c1=O)CCCC2)C(=O)NN	1912214745	VUSHYSXVKYMTLD-ZETCQYMHSA-N	239.279	-0.993	50	10	BBGE	
CCN(C[C@H](O)CCl)S(C)(=O)=O	1913817609	OTRPYPVRGIEBBW-ZCFIWIBFSA-N	215.702	-0.132	50	10	BBGE	
C[C@@H](CN(C)CC1(O)CCC1)C(=O)NN	1914572072	SRMTXLMXQQOKAV-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)C[C@@H]1C#N	1914857148	KJXKGJMFJOIHII-IUCAKERBSA-N	217.700	-0.274	50	10	BBGE	
CN(CCC(=O)NN)CC1(CO)CC1	1915531353	KQEJLZTYZPNZQV-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
CC(C)(CSCCNCCN)C(=O)NN	1923476825	NMZFTRAZDVLGTI-UHFFFAOYSA-N	234.369	-0.716	50	10	BBGE	
Cn1cc(CCNS(=O)(=O)CCl)nn1	1929023037	HLEJBEXCCDTYGM-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C)(C)[C@@H]1CO	1929742328	WRYOKWSSTANHIT-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
O=C(CCN1CCCC1)NNCCO	1929835411	SABNIMXHNPXTCR-UHFFFAOYSA-N	201.270	-0.915	50	10	BBGE	
COC[C@H](CCl)N=c1nc[nH]n1C	1930283930	VGAWCPKCIUWQMW-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
C[C@H]1CCS[C@H]1C(=O)NNC(N)=O	1930926550	HLCAYPYBAYTBAX-CRCLSJGQSA-N	203.267	-0.173	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]2CO3)CC1	1931265230	MEPKIDQNDOTXLC-YUMQZZPRSA-N	211.265	-0.770	50	10	BBGE	
CC(C)[C@H](NC(=O)NN)C(=O)N(C)C	1934965796	OCNFQAGENFVNBX-LURJTMIESA-N	202.258	-0.728	50	10	BBGE	
CC(=O)NCc1scc(C)c1B(O)O	1935197183	SIAACGKQJBFBBL-UHFFFAOYSA-N	213.067	-0.628	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]1C1CCC1	1936525725	ICEYVXJOZIBPMU-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@H]1CSCCN(CCOCC(=O)NN)C1	1936530882	RNUMNQDUDHASOG-SECBINFHSA-N	247.364	-0.322	50	10	BBGE	
C[C@H]1COCCCN1CC1(C(=O)NN)CC1	1938246642	KAWMXQDIXQRHDL-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	1938376599	SVMYFBCQUMYLTG-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1C[C@@H]1C[C@H]1C(=O)NN	1941093100	DZVVNGQHHRJRLX-VPOLOUISSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cccc(OCc2ccncn2)c1	1941975686	XGSARUHGSZWCBD-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H](O)[C@H](F)C2)o1	1944309274	SLPCIXDBOWQDFZ-HTQZYQBOSA-N	243.238	-0.602	50	10	BBGE	
C[C@H]1CCO[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1947069912	LEYNOAZWGJMOPS-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949277596	QRNLXBSAORKTEJ-QUARPLMYSA-N	239.319	-0.400	50	10	BBGE	
O=C(O)CCOc1ccccc1B(O)O	1951321449	RUFQAIOZRZXTQZ-UHFFFAOYSA-N	209.994	-0.780	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccc(-n2cncn2)nc1	1953071683	SBYIRDWSNWKSIT-WPRPVWTQSA-N	230.231	-0.453	50	10	BBGE	
NNC(=O)C(=O)NCCC(F)(F)C(F)F	1957658722	KEYUFGHZAXMHCH-UHFFFAOYSA-N	231.149	-0.617	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC2(F)CC1C2	1960685248	QRWIJQMPEVNCTJ-KDIYEYIXSA-N	217.244	-0.822	50	10	BBGE	
NNC(=O)CN1CC[C@H]2SC(=O)C=C2C1	1961446731	QSKUJQMJNBEZKC-SSDOTTSWSA-N	227.289	-0.750	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@H](O)[C@H](O)[C@H]1C2	1961917163	SLHDSYSKXRAEMB-GENCIFFESA-N	230.695	-0.067	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CC(O)C2)C1	1962115123	OSWQCURDSDSDFU-ZNFPMYQNSA-N	213.281	-0.788	50	10	BBGE	
NNC(=O)CN1C[C@H](O)CCC12CCC2	1962266267	JOGQCSSTEGWLMC-MRVPVSSYSA-N	213.281	-0.644	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(C)CCOCC1	1962437643	XQUONJLENYKMOG-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
O=C(C[C@@H]1CCC[C@H]2C[C@H]12)NCB(O)O	1974881092	PHJKDXZLUUOSFO-CIUDSAMLSA-N	211.070	-0.059	50	10	BBGE	
CN(C[C@H]1C[C@H]1C(=O)NN)[C@H]1C[C@H](O)C1	1975304965	XKTLQIDMMOXYBB-FNCVBFRFSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)CN(CC1CCOCC1)C1CC1	1976423336	LNBTYADDQYWBFF-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CN(C(=O)NN)[C@H]1CCC[C@H](S(C)(=O)=O)C1	1976862625	LZCLRKIQWUZPCR-YUMQZZPRSA-N	249.336	-0.143	50	10	BBGE	
CCN(Cc1ccnn1C)[C@H](C)C(=O)NN	1980753497	RCNUVUVVQYEPLD-MRVPVSSYSA-N	225.296	-0.380	50	10	BBGE	
CCCN(C(=O)NN)[C@H]1CCCCNC1=O	1981043324	LBXYROLXTWUCOO-QMMMGPOBSA-N	228.296	-0.050	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1ccncc1B(O)O	1981409411	MHZYLOJNPCQBSX-SCZZXKLOSA-N	220.081	-0.004	50	10	BBGE	
CN(C)CCOCc1cc(C(=O)NN)no1	1982818325	GEAPWYZCAZZGGK-UHFFFAOYSA-N	228.252	-0.644	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H](F)[C@@H](CCl)C1	1983545041	BMSRSPMMYDRHTI-NKWVEPMBSA-N	247.661	-0.292	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]2C[C@@H]2CO1	1984446137	DBDYZZBHLFFXLL-BBBLOLIVSA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COC2CC1C2	1986053754	XHEAWPUVSOYBAF-YDYPAMBWSA-N	227.308	-0.136	50	10	BBGE	
CC1(C)CCCN(CCC(=O)NN)[C@@H]1CO	1986924696	YGALHZQJYIKNOT-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
CO[C@H]1C[C@@H]1COc1cncc(B(O)O)c1	1987770576	IANSAXZLXKMQQN-XCBNKYQSSA-N	223.037	-0.825	50	10	BBGE	
CC[C@H](OC)C(=O)N[C@H]1CCC=C1B(O)O	1991331569	ZWUUCKHEKYWOKM-IUCAKERBSA-N	227.069	-0.372	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(=O)N2CCC[C@@H]2C1	1996427003	LMBYSTPFTICLRL-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)Cc1ncon1	1997754030	GCQJKJFBDNJTJM-MRVPVSSYSA-N	241.295	-0.094	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@]12CCC[C@@H]1C2	1998129793	BHECDLGDMKVPQZ-FWWHASMVSA-N	241.052	-0.781	50	10	BBGE	
CCCNC(=O)[C@H]1CCCN1[C@H](C)C(=O)NN	2003617714	HKJFVCZSPRELDO-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCO[C@@H](C)C2)n1	2005015183	XDBRUUXKYZINNV-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](F)C[C@H]2C)n1	2005018286	RBTVSQLMNBVXKG-HTRCEHHLSA-N	239.059	-0.598	50	10	BBGE	
COC[C@H]1CN(CCOCC(=O)NN)C[C@H]1C	2006565303	ZXPQXKSAZGBINH-NXEZZACHSA-N	245.323	-0.793	50	10	BBGE	
CCc1cccc([C@@H](C)NC(=O)C(=O)NN)n1	2008868074	TXJVCTCMOMXGFB-SSDOTTSWSA-N	236.275	-0.189	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC(CF)CF)n1	2011746559	LXCJNMRSTNIGFQ-UHFFFAOYSA-N	246.022	-0.540	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012894249	ALRKAIFYTLPELJ-ZDCRXTMVSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2COCC[C@H]2CC1=O	2013041718	KZSVBVWHUQUERS-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
C[C@@H](C(=O)N1CC=C(C#N)CC1)N1CC(N)C1	2014694536	NRVLDNGLXKLABV-VIFPVBQESA-N	234.303	-0.300	50	10	BBGE	
C[C@H]1[C@@H](N2CC(=O)OC(=O)C2)C2CCN1CC2	2017636699	CRZQCKYOAAZUOG-QPUJVOFHSA-N	238.287	-0.146	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(c2cnn(C)c2)C1	2019132081	FQFNVXOFXQTKMA-JTQLQIEISA-N	237.307	-0.412	50	10	BBGE	
COC[C@H](O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41)C(=O)NN	2026821075	RZHYAJTWAONAGV-YSNGDUHMSA-N	238.287	-0.482	50	10	BBGE	
Cc1ccnc(N2CC3(CCOC3)C2)c1B(O)O	2052473423	SIKXYSNFRQYHBM-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
Cc1nc(N2CC[C@@H]3CCC[C@H]32)ncc1B(O)O	2052553491	IHBGUFVESGTSKL-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(B(O)O)c1C=O	2060034514	OIXMRPIJBJAZHL-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1c(C=O)ccc(B(O)O)c1Cl	2060131248	BVHHLPWQYHOGAC-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
COc1c(OC(F)F)cc(C=O)cc1B(O)O	2060324920	RGYQKKAPNLLKOJ-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
COCCSc1cc(B(O)O)ccn1	2210063912	DKJSAXVLTURXLF-UHFFFAOYSA-N	213.067	-0.500	50	10	BBGE	
CC(C)(CN1C[C@H](O)C[C@@H](F)C1)C(=O)NN	2210695600	OJAQASPUDNNGNM-HTQZYQBOSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1	2211173222	DZYFNODRSIZTRX-RXMQYKEDSA-N	237.206	-0.794	50	10	BBGE	
CC1(C)[C@@H](O)CN1Cc1cccc(B(O)O)c1	2214606330	VKNIWBPTRIVTHC-NSHDSACASA-N	235.092	-0.679	50	10	BBGE	
NC[C@@H]1CCC[C@H]1Oc1ncccc1B(O)O	2217166726	OETUGXVCPUHXGF-WCBMZHEXSA-N	236.080	-0.732	50	10	BBGE	
COC[C@H](C)[C@@H](C)Nc1cc(B(O)O)ccn1	2217175458	JCZAZKXGHGOPTQ-DTWKUNHWSA-N	238.096	-0.156	50	10	BBGE	
CCN(C[C@@H](C)O)c1cc(B(O)O)c(C)cn1	2217179259	IPCDCUCRWWZAJG-SECBINFHSA-N	238.096	-0.723	50	10	BBGE	
COCC1(Nc2ncccc2B(O)O)CCC1	2217184362	OUEPMWKRTADRHO-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
CC[C@@H](C)[C@H](CN)Oc1ncccc1B(O)O	2217186087	FYPBVQVTKLQUKP-SCZZXKLOSA-N	238.096	-0.486	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@]23CC3(F)F)c1	2217200775	AZAMLWDOVAWWPI-VXNVDRBHSA-N	240.018	-0.029	50	10	BBGE	
C#C[C@@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2217201390	PJLSKISOTGNMOM-SCZZXKLOSA-N	231.064	-0.630	50	10	BBGE	
Cc1ncc(F)c(=O)n1C[C@H]1C[C@@H]1C(=O)NN	2217259358	SWYOJOKJEUVIOD-RQJHMYQMSA-N	240.238	-0.683	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1Cc1cccc(B(O)O)c1	2220067297	VAOBATUNSMIRJZ-MFKMUULPSA-N	248.135	-0.322	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@@H]3CCO[C@@H]3C2)c1	2223628962	SFIHBRLNEYKQHF-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCNC23CCC3)nc1	2223629912	IOKNSMXDFQDJAC-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2ncccc2B(O)O)CN1C	2223639921	UAZSFESHXDZKKL-ZJUUUORDSA-N	249.123	-0.487	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)C12CC(CO1)C2	2223673186	JAFSLZZIOIKADA-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
COC[C@@H](C)NS(=O)(=O)N1CC(Cl)C1	2241332486	UIGUIBTVXBFUDB-ZCFIWIBFSA-N	242.728	-0.221	50	10	BBGE	
NNC(=O)CN1CCc2ncsc2C1	2241906844	IOVNDYMYMCHCSL-UHFFFAOYSA-N	212.278	-0.509	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1ccoc1B(O)O	2243348867	BBJRSOMGNBJIPJ-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1csc(B(O)O)c1	2243349784	QMUCZMDKTVLUPQ-IYSWYEEDSA-N	243.068	-0.484	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccc(B(O)O)o1	2243361474	BVLCCAGDXRGDFP-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
CO[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1F	2243363175	BXLYDTHFELEYDM-RQJHMYQMSA-N	231.032	-0.811	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cn1	2243375460	UARAUYNJPAECLG-UHFFFAOYSA-N	220.037	-0.933	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2sncc2B(O)O)C1	2243378653	XFHZKVMJKZRAEX-ZCFIWIBFSA-N	240.093	-0.695	50	10	BBGE	
C[C@H]1CNCC[C@H]1NC(=O)C1(B(O)O)CC1	2243397483	CAWLZIOAAHDMKD-JGVFFNPUSA-N	226.085	-0.892	50	10	BBGE	
CC1(C)[C@@H]2CC(NC(=O)C#CB(O)O)C[C@H]21	2243399194	JWWVIXVGISOGJB-RKDXNWHRSA-N	221.065	-0.447	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](CCF)C1	2243401394	QLOFGPQZISMVSK-SECBINFHSA-N	227.044	-0.400	50	10	BBGE	
CCO[C@@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243404734	SXWGVEAABOEXRU-XHNCKOQMSA-N	229.085	-0.219	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)[C@H](C)CN1	2243408440	NEGRMXLSXBYKNW-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
C[C@@]1(C(=O)O)CC[C@@]1(C)C(=O)NCB(O)O	2245253497	LSOGAADNNKJOFK-IUCAKERBSA-N	229.041	-0.994	50	10	BBGE	
CO[C@H](CCl)CN=c1ccc2nnnn2[nH]1	2245983866	YRPPNKYRFFUYOE-ZCFIWIBFSA-N	242.670	-0.393	50	10	BBGE	
Cc1ccc(F)c(C(=O)NCC#CB(O)O)n1	2246709852	OEAYPRQIMTUIJG-UHFFFAOYSA-N	236.011	-0.726	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2247735972	QXATVQCJNXTORN-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCC1(C)CC1	2247737550	IAVZLNFFJJPPMJ-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
O=C(C#CB(O)O)N1CCCOCC12CCC2	2247737739	JCQTVSQLPJUCMI-UHFFFAOYSA-N	237.064	-0.827	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247741003	SOCKXUFPFUYHTM-SECBINFHSA-N	236.080	-0.387	50	10	BBGE	
N[C@H](CNC(=O)C1(B(O)O)CC1)c1ccco1	2247754239	LIQWHNLZIVAHSE-SSDOTTSWSA-N	238.052	-0.597	50	10	BBGE	
CN1C[C@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247754651	HBUMLUGBSCWOAT-MRVPVSSYSA-N	240.112	-0.408	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCOC2(CC2)C1	2247785298	ITINUQQRZVUHIQ-DTORHVGOSA-N	239.080	-0.369	50	10	BBGE	
N[C@@H]1CC[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2247800860	UMMRFWYTWDAZOG-AUXWQGHOSA-N	240.112	-0.517	50	10	BBGE	
CN(C)[C@]1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247805031	AGRYTAVSOYRKTL-IQJOONFLSA-N	240.112	-0.598	50	10	BBGE	
CO[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247809802	RKVBJZFCLYJWKY-GUBZILKMSA-N	241.096	-0.219	50	10	BBGE	
O=C(NCCC1CCC1)c1ccc(B(O)O)o1	2247847060	QSRIVIFNZIZJMZ-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@@H]2CC[C@H](C1)O2	2247848341	KSBQIOCQAFJDFX-OWUUHHOZSA-N	237.064	-0.830	50	10	BBGE	
C[C@H](F)CNC(=O)c1c(F)cccc1B(O)O	2247875413	YAMVGMBJZWZFGR-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
O=C(N1CCC[C@@H]2COC[C@@H]21)C1(B(O)O)CC1	2247880006	ZVEYSPUWMOIQLJ-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2B(O)O)C1	2247893631	VURMNFHNUKXMMZ-NKWVEPMBSA-N	237.068	-0.992	50	10	BBGE	
CCn1ccc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH]1	2247897892	YBIXSWXPAAYSTA-OCAPTIKFSA-N	237.068	-0.484	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)ccc1O	2248031956	IZFPMFHBYFLNEJ-UHFFFAOYSA-N	239.011	-0.715	50	10	BBGE	
CC(=CCNC(=O)C1CC(B(O)O)C1)C(=O)O	2248573358	CRWYYCXHHHRAQO-UHFFFAOYSA-N	241.052	-0.614	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ccc(B(O)O)o1	2250893073	YDTVHSFDUZUTJU-MRVPVSSYSA-N	237.064	-0.099	50	10	BBGE	
O=C(Nc1ncco1)c1ccc(B(O)O)cn1	2252744728	GBBWAAXJUOHPKB-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(NC1[C@@H]2CCCC[C@@H]12)c1ccc(B(O)O)o1	2255467598	PNFTVCDOWCSAOW-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
COc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1B(O)O	2255503494	FFZFVPFNHYCHBP-GMSGAONNSA-N	249.075	-0.487	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1cc(B(O)O)n[nH]1	2255551640	AEBZJUZFTNKBQH-YUMQZZPRSA-N	249.079	-0.992	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]1C1CCC1	2255672205	CKOFGLQVJPPECV-NSHDSACASA-N	248.091	-0.291	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CCC[C@@H]21	2255690867	IQSFPBKCLFQUJI-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
Cc1coc(NC(=O)c2ccncc2B(O)O)n1	2255728696	KFFFKVLFDIQEOI-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
CC#CCN(C)C(=O)c1ccc(C)c(B(O)O)c1	2255730762	SQMAPCRPJCMMRE-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1ncncc1B(O)O	2255734666	FKGGOBPXZUCDKY-MRVPVSSYSA-N	249.079	-0.829	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255747562	NCQGYGPHOHCRBQ-QMMMGPOBSA-N	246.075	-0.746	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)ccc1O	2256018477	ZJUCTJQGHCLIHU-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
O=C(N[C@]12CCC[C@H]1CNC2)[C@H]1C[C@@H]1B(O)O	2298370795	MTUMFEZGRFLSTJ-KBIXCLLPSA-N	238.096	-0.892	50	10	BBGE	
COC[C@@]1(C)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371935	ZUPKMKPYTFFLND-FXPVBKGRSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CN[C@H](C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375276	CMQIJUFJBSLJHM-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1CCC[C@@H](CN)N1C(=O)[C@@H]1C[C@H]1B(O)O	2298376266	PEKXMADJBRAOQP-AXTSPUMRSA-N	240.112	-0.422	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CC[C@@H](OC)C1	2298535723	QHRYPAIWEVSEMR-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1OCCOC1(C)C	2300925346	BHYSGIXYEIPUIZ-BDAKNGLRSA-N	246.307	-0.035	50	10	BBGE	
CC(C)(O)CNc1ccc(C=O)c(B(O)O)c1	2301452007	AZNUJXRHBDEISU-UHFFFAOYSA-N	237.064	-0.638	50	10	BBGE	
CCN(CC)C(=O)CN1CC[C@](C)(B(O)O)C1	2303098449	XYAAIWQCPZSMJW-NSHDSACASA-N	242.128	-0.206	50	10	BBGE	
Cn1ccnc1CCN1CC[C@](C)(B(O)O)C1	2303124129	OVXIIJBMTLPNAC-NSHDSACASA-N	237.112	-0.099	50	10	BBGE	
COC(C)(C)COc1cc(B(O)O)c(F)cn1	2303853577	VZWYLPHHHNDVFI-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)c1occc1B(O)O	2312849313	RACAQSUQPULLGM-KHQFGBGNSA-N	247.059	-0.346	50	10	BBGE	
NNC(=O)c1c[nH]c2cc(N)ccc2c1=O	53994973	SWOTVDWTYYMFOD-UHFFFAOYSA-N	218.216	-0.286	50	10	BBGE	
C[C@H](CCl)C(=O)NCCCS(N)(=O)=O	54715729	QADOUYOFJPQGFN-ZCFIWIBFSA-N	242.728	-0.344	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(CCO)C1CC1	82470831	UOFSGLFKDWEOEB-VIFPVBQESA-N	215.297	-0.542	50	10	BBGE	
CN1CC[C@@H](NS(=O)(=O)CCl)C1	82513080	XIQKCOBKJMNLKY-ZCFIWIBFSA-N	212.702	-0.194	50	10	BBGE	
CCN1CCN(CC(C)(C)C(=O)NN)CC1	86597597	RSAIXGIURUBIBA-UHFFFAOYSA-N	228.340	-0.360	50	10	BBGE	
C=CCCCOCCn1cc(C(=O)NN)nn1	91842519	PMEIAYJEZWVODB-UHFFFAOYSA-N	239.279	-0.136	50	10	BBGE	
CN(C)NC(=O)N1CCC[C@H]1C(=O)O	149047949	AEDYUCZEBABEGT-LURJTMIESA-N	201.226	-0.278	50	10	BBGE	
CCN(CC)C(=O)CNC(=O)NC(=O)CCl	161680364	MGAGAWIPFRFPRX-UHFFFAOYSA-N	249.698	-0.081	50	10	BBGE	
CN(C)CCCNC(=O)C(=O)NCCCl	170359692	GUCKXMITEDQHAU-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
COc1ccc2cccc(B(O)O)c2n1	204332298	ONNVKMAYWGRLEZ-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H](C)C1	229488990	FMSVWGQSVMPOQB-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](O)CCNS(=O)(=O)CCCl	230188738	YJKRGIIOWYPXAF-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
C[C@H]1CCN(CCCC(=O)NN)C[C@@H]1O	230357118	RGWUFWBNTGHULF-IUCAKERBSA-N	215.297	-0.541	50	10	BBGE	
CO[C@@H](CNC(=O)NN(C)C)CC(=O)O	232143357	AZZLJHSYOTVHNX-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
OB(O)c1cnc(-c2cncs2)nc1	238654145	QMLSSWJQGJYICY-UHFFFAOYSA-N	207.023	-0.720	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CO)[C@H]1C	307019577	YLZVGROJTYAZHG-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
C[C@H](CN1C[C@@H](O)C[C@H]1C)C(=O)NN	307226062	FPLFLDSNJPUMOV-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
NC(=O)[C@]1(O)CCCN(C(=O)CCCl)C1	309054478	SBQHTKHWOZZUCH-VIFPVBQESA-N	234.683	-0.546	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CN2CCC1CC2	309296874	XGIKPPVUZGWXKS-WPRPVWTQSA-N	226.324	-0.609	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H]2CCOC2)[nH]1	381197163	BCDISCWKUTYNAQ-LURJTMIESA-N	243.698	-0.107	50	10	BBGE	
N#CCCc1ccc(CO)c(B(O)O)c1	396043600	VQTHYJWKCRVBPI-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H](C)S(N)(=O)=O	398246658	SROYJTDHLHYGIR-RFZPGFLSSA-N	228.701	-0.593	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC[S@@](C)=O	399897635	JKUIJVSKGWYSED-JKYUHCHBSA-N	221.326	-0.935	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)C[C@H](O)C1	401689827	FGEXPHCKZROLQS-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
Cc1cn(C[C@@H]2CCO[C@H]2C(=O)NN)cn1	675058777	XLLVGKNRHMGSNC-DTWKUNHWSA-N	224.264	-0.413	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@H](C)CO	688393694	AKZJUAPYLISEIB-DTWKUNHWSA-N	217.313	-0.295	50	10	BBGE	
C[C@H](CN1CCCC[C@H]1[C@@H](C)O)C(=O)NN	688638278	HKEOOABHMIOPSV-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@@H]1CO	688738654	PNLTZDIRAVDTKO-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	690075746	NGRGLLIIYAXXMU-WDEREUQCSA-N	249.075	-0.983	50	10	BBGE	
CN1CC[C@H](N(C)C(=O)NC(=O)CCl)C1=O	690251946	MNZWTBGGTIAMKQ-LURJTMIESA-N	247.682	-0.376	50	10	BBGE	
C[S@@](=N)(=O)N1CCC(O)(C#N)CC1	692102081	CPUJLCRXRQFPHS-ZDUSSCGKSA-N	203.267	-0.072	50	10	BBGE	
CCC(CC)OCn1cc(B(O)O)cn1	694533144	ZEVSNWOSTPJQDA-UHFFFAOYSA-N	212.058	-0.274	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C)[C@H](COC)C(=O)NN	698362362	NGEQXOQMAQWADO-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(CC2CC2)C1	699602235	SMYGKCAUAOSVHL-JTQLQIEISA-N	227.308	-0.277	50	10	BBGE	
ClC[C@@H]1COCCN1CCn1cnnn1	712593024	WPQJVCSVRZHTLA-MRVPVSSYSA-N	231.687	-0.387	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@@H](C)CCl)C1	714439341	OUSJLXUASBLFKO-LURJTMIESA-N	235.667	-0.392	50	10	BBGE	
C[C@H](CN1C[C@H]2[C@H](C1)C2(F)F)C(=O)NN	715400484	GVQIPRBAHQWNPB-VQVTYTSYSA-N	219.235	-0.191	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ncccn1	718907915	BYYCWBHCZPGENS-QMMMGPOBSA-N	223.280	-0.323	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@H](O)[C@@H](F)C1	725694050	GFQDYHOPYZVGLK-WDSKDSINSA-N	231.676	-0.083	50	10	BBGE	
Cc1ccc(CC(=O)NNC(=O)c2cnn[nH]2)o1	754021181	FDFYWTANULQXMY-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CO[C@@H]1CC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1	832750029	RVIABTHRCLHMDI-HTQZYQBOSA-N	244.291	-0.280	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](O)C1CCC1	837627689	ZKBXAQPVGWOZMH-VIFPVBQESA-N	216.281	-0.243	50	10	BBGE	
COc1cc(C(=O)NNc2ccn(C)n2)ncn1	1161289935	PGIHUHOSXAYGED-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
Cc1cc(C(=O)NNc2cnnn2C)on1	1306847975	HOYLEZOCAISGFM-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1ccnnc1	1319565632	POTFIACZPMWMCJ-UHFFFAOYSA-N	223.236	-0.171	50	10	BBGE	
Cc1nccnc1C(=O)NNc1nnc(C)n1C	1335403789	BXBBGQQETJZHCL-UHFFFAOYSA-N	247.262	-0.021	50	10	BBGE	
O=C(NNc1cccnn1)c1cnnc(O)c1	1446662815	VRZCSUYQUTVIHV-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)c1ccnnc1	1469120529	OTTVPKNIBKUSMO-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)c1ncon1	1536946577	SLLNJCKJUBZDCY-UHFFFAOYSA-N	237.175	-0.559	50	10	BBGE	
CC1(C(=O)NNC(=O)c2cnn[nH]2)CC=CC1	1543027143	QRKGXGVDEHCYDP-UHFFFAOYSA-N	235.247	-0.078	50	10	BBGE	
Cn1cc(C(=O)NN=c2cc[nH]cc2)nc1O	1567458529	IXNMZLRSUHVZRM-UHFFFAOYSA-N	233.231	-0.301	50	10	BBGE	
Cc1nn[nH]c1C(=O)NNc1ccn(C)n1	1611272536	LCVNSUNNUDAMMH-UHFFFAOYSA-N	221.224	-0.396	50	10	BBGE	
CNC(=O)NNC(=O)c1cc2ncccn2n1	1625506962	NPCMWLZDKSJLOM-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
N#Cc1ccccc1S(=O)(=O)NNC=O	1858080649	LDNSFLMITUHGFO-UHFFFAOYSA-N	225.229	-0.502	50	10	BBGE	
C=C(CN1CCS[C@H](C)C1)B(O)O	1883732973	NBBDDTUYJPBOJZ-MRVPVSSYSA-N	201.100	-0.008	50	10	BBGE	
CN(C)CCOCCCCC(=O)NN	1884724933	ICCKHRNNYZPHHY-UHFFFAOYSA-N	203.286	-0.275	50	10	BBGE	
O=S(=O)(CCCl)CCN=c1[nH]nco1	1886769781	QFLBXFGBHQMDIH-UHFFFAOYSA-N	239.684	-0.443	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)N(C)C	1888555015	SWUJOHFQLOBCFV-UHFFFAOYSA-N	223.298	-0.156	50	10	BBGE	
COC(=O)[C@@H](N)C[S@](=O)C[C@H]1C[C@@H]1Cl	1893117498	AZBJDFGTSQATQS-AOLZEKTMSA-N	239.724	-0.137	50	10	BBGE	
C[C@]1(O)CN(C[C@H](Cl)C#N)CC[C@H]1O	1901104341	DTNXBLCFRBVTSR-HLTSFMKQSA-N	218.684	-0.065	50	10	BBGE	
C#CCCOCC(=O)NN(C)S(=O)(=O)CC	1901341175	QGQLLMAIWWMSTF-UHFFFAOYSA-N	248.304	-0.661	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](N)C1(C)CC1	1901374902	HYHAPJFNPJBAHI-SSDOTTSWSA-N	249.336	-0.574	50	10	BBGE	
C[C@H](OC[C@@H]1CCc2nccn21)C(=O)NN	1904711508	KLZFADLODCALNY-YUMQZZPRSA-N	224.264	-0.235	50	10	BBGE	
C[C@@H]1C[C@H](Oc2ccc(B(O)O)cn2)CCO1	1911420063	KACNTLLQBNZYPB-PSASIEDQSA-N	237.064	-0.292	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](OC)C1(C)C	1914329663	BOLSQUZRVPXNDJ-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)C12CCC2	1914398812	OEBWVBBKDDIKLE-SSDOTTSWSA-N	249.261	-0.399	50	10	BBGE	
OB(O)c1ccc(CN2CCOCC23CC3)cc1	1915579085	HMYRWSIRHOWJJF-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@](F)(CO)C1	1917100124	FUSFFASTVCGRQM-LDYMZIIASA-N	247.314	-0.203	50	10	BBGE	
C[C@H]1CN(C(=O)NC(=O)CCl)CC(=O)N1C	1925968995	PHZSJPGADRQJOL-LURJTMIESA-N	247.682	-0.376	50	10	BBGE	
CCc1csc(CNC(=O)C(=O)NN)n1	1926391260	MTIWEJYCMLWKAK-UHFFFAOYSA-N	228.277	-0.688	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	1928368270	RPXIXQHXORZNKU-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
O=C(CBr)N[C@@H]1COC[C@@H]1CO	1928736152	RWMUQLYBFDNLIK-NTSWFWBYSA-N	238.081	-0.495	50	10	BBGE	
Cn1nnc(CN[C@H]2COC[C@@H]2CCl)n1	1928743420	HYUGVORZZPXILB-BQBZGAKWSA-N	231.687	-0.447	50	10	BBGE	
CO[C@H]1CCN(CCC(=O)NN)C[C@H]1C	1929939918	UTHZZIRWGMHCGJ-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CO[C@H](CNC(=O)NN)[C@H]1CCCOC1	1930526640	XYXRJYJYHPNXKP-JGVFFNPUSA-N	217.269	-0.399	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(CCO)C1	1932107350	DGIXFCZINHBSOY-ZETCQYMHSA-N	201.270	-0.931	50	10	BBGE	
CN1C[C@H](O)[C@H](N2CC=C(C#N)CC2)C1	1935163431	TVLPJZJVKWULRZ-MNOVXSKESA-N	207.277	-0.183	50	10	BBGE	
CN1CCCC[C@@H]1Cn1cc(B(O)O)cn1	1937000650	NXWAMYBHBOTVTD-SNVBAGLBSA-N	223.085	-0.953	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)C1CN(C)C1	1937467414	IATIEBOUBGPOSF-UHFFFAOYSA-N	236.266	-0.753	50	10	BBGE	
C[C@@H](CCC(=O)NN)OC[C@@H]1COCCO1	1939103959	ZPVCWCVRKLQQJZ-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
O=C(NNCCO)[C@@H]1CCc2ccccc2O1	1944211027	GDWABQFPMVWFRX-NSHDSACASA-N	236.271	-0.007	50	10	BBGE	
CO[C@H]1C[C@@H](C(=O)O)CN(C(=O)NN(C)C)C1	1950034117	SCVDRBFYZFNXAE-SFYZADRCSA-N	245.279	-0.406	50	10	BBGE	
O=C(C[C@H]1CCOC1)N1CC[C@@H](B(O)O)C1	1951322255	ZNELJDXCKVCIED-RKDXNWHRSA-N	227.069	-0.512	50	10	BBGE	
CN(C)NC(=O)N1CCC(CN)CC1	1956246360	AASNYTKHJKMIDX-UHFFFAOYSA-N	200.286	-0.157	50	10	BBGE	
CCOC1(CO)CN(C[C@H](O)CCl)C1	1957022590	YZIVFSDNWOSBOT-MRVPVSSYSA-N	223.700	-0.331	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@](F)(CO)C1	1957837372	WBGDSDIVQKJDAI-IONNQARKSA-N	219.260	-0.839	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](O)C(C)C	1960661978	AXYLDTFRMAZOIO-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
Cc1nc(-n2cccn2)ccc1B(O)O	1961724453	RXLLWRHQMWRRLH-UHFFFAOYSA-N	203.010	-0.744	50	10	BBGE	
O=C([C@H]1CC2(CC2)CO1)N1CC[C@@H](B(O)O)C1	1972412646	KFUOWYIVDTWRQZ-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CC(C)OC[C@@H]1CCN(C(=O)C(=O)NN)C1	1976188973	QFRODKLLSYAWIW-MRVPVSSYSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](O)CC1(C)C	1980723626	VAOLYKVVYNKTHW-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@](=O)C[C@H]1C	1981191248	IGTXPJIFJZOGSQ-LGZSNQIQSA-N	247.364	-0.546	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@]1(C)CCOC1	1982705742	WBDCTJKMPTUTLL-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=CC[C@H]1CO	1983179339	MULQLBNHWSUNTF-AEJSXWLSSA-N	227.308	-0.376	50	10	BBGE	
COC(=O)c1cncn1CC(=O)NN(C)C	1987015558	SRNHYXCJWMKEFE-UHFFFAOYSA-N	226.236	-0.738	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC(F)(F)C1	1990775405	VKIWRAXSSIUNJL-UHFFFAOYSA-N	235.234	-0.115	50	10	BBGE	
CC(=O)NNC(=O)CN1CCS[C@@H](C)CC1	1990775610	XVWUXUKDTBJDPQ-QMMMGPOBSA-N	245.348	-0.019	50	10	BBGE	
C[C@@H](CN(C)CC[C@H]1CCOC1)C(=O)NN	1991027647	XHZNXCNBLBEOQG-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
CN(C)C(=O)NCCNC(=O)C=CC(=O)Cl	1991647912	JMQJDZUIJPVDQE-UHFFFAOYSA-N	247.682	-0.305	50	10	BBGE	
C[C@@H]1CN(C(=O)C=CC(=O)Cl)CC(=O)N1C	1991647930	JQLZQWNLJRZXCP-SSDOTTSWSA-N	244.678	-0.003	50	10	BBGE	
NC(=O)N[C@@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991703615	JDAWYCLMXGWFEX-UGQQDIOTSA-N	245.666	-0.423	50	10	BBGE	
CN(Cc1ccno1)CC(F)(F)C(=O)NN	1993846462	IHSLCLZLEGMWQP-UHFFFAOYSA-N	234.206	-0.268	50	10	BBGE	
CC(C)(CN1C[C@@]2(C)C[C@]2(CO)C1)C(=O)NN	2001047158	USERAYIBOOJLBG-VXGBXAGGSA-N	241.335	-0.293	50	10	BBGE	
CC[C@]1(C)CCN(c2ncncc2B(O)O)C1	2004920452	KEOGBXRMEPDQOL-LLVKDONJSA-N	235.096	-0.217	50	10	BBGE	
COCCN(c1ccncc1B(O)O)C1CC1	2004935925	RUGSINJJQQUIPU-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N2CCC(C)CC2)c1B(O)O	2004973363	TYJLXVIODXDIBG-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2CC[C@@H]2C)c1B(O)O	2004974980	SBVZZIPHFIUKFV-CBAPKCEASA-N	235.096	-0.300	50	10	BBGE	
Cc1nc(N2CC[C@H]3C[C@@H]3C2)ccc1B(O)O	2005017354	DBDYXKNXXVVILC-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@H]1OCC[C@@H]1F	2009201484	GKLPFFMHGFYCRX-AATLWQCWSA-N	245.298	-0.329	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CC1	2011348395	MLBVJERKAUSQEP-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(F)COCCOC1	2014016426	MVPQZYQJODDWMJ-QMMMGPOBSA-N	249.286	-0.948	50	10	BBGE	
N#Cc1cc(C(=O)NCC=CB(O)O)ccn1	2020060830	XJMIONQVKONPDW-UHFFFAOYSA-N	231.020	-0.749	50	10	BBGE	
C[C@@H]1CCC[C@H](NC(=O)NCC#CB(O)O)C1	2021115208	KZOZGKQVMQAMQE-ZJUUUORDSA-N	238.096	-0.120	50	10	BBGE	
NNC(=O)C(=O)NCCC12CCC(CC1)OC2	2023317643	YILJUXXZKDCKBA-UHFFFAOYSA-N	241.291	-0.558	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)CC12CC(C(=O)NN)(CO1)C2	2023851700	BHCIBAAKQVDFHQ-WWAQEKKBSA-N	239.319	-0.134	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)Cc2cccc(B(O)O)c2)C1	2038742015	WJWKPBPVHZNEHF-BETUJISGSA-N	249.119	-0.024	50	10	BBGE	
CCOC(=O)c1ccc2ncc(B(O)O)cn12	2049399505	VMWGRUSMEAXHKC-UHFFFAOYSA-N	234.020	-0.809	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3COC[C@H]32)nc1	2052467756	UTSLNJQRMDNCKL-MWLCHTKSSA-N	248.091	-0.623	50	10	BBGE	
Cc1ncnc(O[C@H]2C[C@H]3C=C[C@H]2C3)c1B(O)O	2052491212	IUOUKNQDDQAUAT-GUBZILKMSA-N	246.075	-0.192	50	10	BBGE	
Cc1ncnc(N2CCCC3(CC3)C2)c1B(O)O	2052554980	CKMUMMKYZLAKHO-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
CCOc1cc(C=O)c(C#N)cc1B(O)O	2060185867	ZWGPJHRQOBXYQY-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
COC12CC(C1)N(c1ccc(B(O)O)c(C)n1)C2	2065707574	NLOXOLWWDTVVQK-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
C=C(CN(C)CC12COCC(C1)C2)B(O)O	2211554958	ASXOUIOPDLRWAS-UHFFFAOYSA-N	225.097	-0.087	50	10	BBGE	
OB(O)c1ccc(=NCC2=CCCC2)[nH]c1	2212601284	LWXWNPDTYRRQSZ-UHFFFAOYSA-N	218.065	-0.295	50	10	BBGE	
OB(O)c1cnc(NC2CC(CF)C2)nc1	2212603075	MRYGPKAFRJLJOT-UHFFFAOYSA-N	225.032	-0.684	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)CCN1	2214596576	QMCWIPJQSZRQAN-JTQLQIEISA-N	234.108	-0.840	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC(CC#N)CC1	2215513049	RGVFGAGUNRMUFT-JTQLQIEISA-N	240.307	-0.383	50	10	BBGE	
COCCN(CCF)C[C@H]1CC[C@H]1C(=O)NN	2215771727	JPDBQDMWQLMHAT-NXEZZACHSA-N	247.314	-0.080	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H]2C[C@@]2(CO)C1	2215773925	UXQMAHLPGTWURE-SVDPJWKOSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCN2CC[C@H]1C2	2215775409	GSRLNWUHVAHCCV-DCAQKATOSA-N	238.335	-0.608	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215775583	HVUNBEHAXDNZTA-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1CCOCC(=O)NN	2216199002	LFKYVGGWJZGQCA-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@@]1(CCO)CCN1CC1(C(=O)NN)CCC1	2216493036	XOMUBZDHXUQQML-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c1	2217175896	OWTHLBBKLBSANJ-PXIYARARSA-N	230.076	-0.394	50	10	BBGE	
C[C@]1(Nc2ncccc2B(O)O)CCCOC1	2217177504	JSCXMTQDASTNGK-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
C#C[C@@H]1CCCCN1c1ccc(B(O)O)cn1	2217179075	GBFUKIQESXSGPP-LLVKDONJSA-N	230.076	-0.247	50	10	BBGE	
OCC[C@H]1C[C@@H](Nc2ccc(B(O)O)cn2)C1	2217180792	KVFLKSNAIMMWOW-WAAGHKOSSA-N	236.080	-0.666	50	10	BBGE	
CCC(CC)(CN)Oc1ncccc1B(O)O	2217181629	SGJUPDIGJZDRPQ-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@]23CCOC3)c1	2217195442	KDQQKUADIUZKMW-ONGXEEELSA-N	234.064	-0.648	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CC=CC[C@H]21	2217199693	OIVWODPWHGJAQM-GXSJLCMTSA-N	230.076	-0.084	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CC=CC2)C1	2217202818	LUNWMXGFIVHXEZ-UHFFFAOYSA-N	230.076	-0.082	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205273	WVDOHIKDSZBUDB-UWVGGRQHSA-N	235.096	-0.557	50	10	BBGE	
CCN1CC[C@@H](OCc2cccc(B(O)O)c2)C1	2222585182	YJADOXNHYCZXHI-CYBMUJFWSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1C[C@H](CNc2cc(B(O)O)ccn2)CCN1	2223627806	OBAAIFQWDZETJB-VHSXEESVSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1ccnc(NCCN2C[C@H]3C[C@H]3C2)c1	2223629588	VNKYJYLJRKSXRU-AOOOYVTPSA-N	247.107	-0.875	50	10	BBGE	
C[C@H]1OC2(C)CC1(Nc1ccc(B(O)O)cn1)C2	2223639696	SNDNYCKMAPZGPH-HUUUCTMMSA-N	248.091	-0.117	50	10	BBGE	
N[C@@H]1CC[C@H]2C[C@]21COc1ccc(B(O)O)cn1	2223652204	CTNBZRACJITGJB-XRNSZHNASA-N	248.091	-0.732	50	10	BBGE	
OB(O)c1cccnc1N[C@@]1(C2CC2)CCOC1	2223666295	IBKZNFOFLDRPKQ-LBPRGKRZSA-N	248.091	-0.258	50	10	BBGE	
NNC(=O)C(F)(F)O[C@@H]1C=CCOC1	2241720002	LGWMHYMTOZTRHQ-RXMQYKEDSA-N	208.164	-0.459	50	10	BBGE	
COCCN(C[C@H](C)O)C[C@H](O)CCl	2242089498	DUZBBNMOQAHJCG-DTWKUNHWSA-N	225.716	-0.085	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	2242105129	BHYNMNPQXBSCGA-XLPZGREQSA-N	220.700	-0.348	50	10	BBGE	
CNS(=O)(=O)N[C@H]1C[C@H](Br)C1	2242411610	SEZHRMMZAFJUHX-URHBZAFASA-N	243.126	-0.034	50	10	BBGE	
CCCCN(O)C(=O)c1ncsc1B(O)O	2243358398	GJRYERZGUYRQDD-UHFFFAOYSA-N	244.081	-0.546	50	10	BBGE	
CCN(CCF)C(=O)c1ccc(B(O)O)o1	2243362642	UMFPLXLWFUJCND-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2243364320	VFEYFLBDAUTGAW-VIFPVBQESA-N	227.069	-0.633	50	10	BBGE	
CC(C)N(C)CCNC(=O)C1(B(O)O)CC1	2243364941	FNRDSBYOUIDBMY-UHFFFAOYSA-N	228.101	-0.550	50	10	BBGE	
CC(C)n1cc(B(O)O)cc1C(=O)N(C)C	2243367355	ROHCEKGMXQFZLW-UHFFFAOYSA-N	224.069	-0.549	50	10	BBGE	
CC(C)CNC(=O)c1ccc(B(O)O)cn1	2243374262	CNAMHZREQWQLDP-UHFFFAOYSA-N	222.053	-0.853	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1cc(B(O)O)sn1	2243378737	YLXZTKLMFMWRPD-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)cs1	2243385962	RTQFXSFBYGBYIZ-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)C1(CN)CCC1	2243396285	KGOCYPZIXGPKHM-JGVFFNPUSA-N	226.085	-0.811	50	10	BBGE	
CC(C)(N)CCNC(=O)C1(B(O)O)CCC1	2243410550	DEICFJNHKVBHEF-UHFFFAOYSA-N	228.101	-0.373	50	10	BBGE	
O=C(N1Cc2c[nH]nc2C1)C1(B(O)O)CC1	2243410960	LDGPVHPSYQXCOZ-UHFFFAOYSA-N	221.025	-0.741	50	10	BBGE	
Cn1ncc(Cl)c1NC(=O)[C@H]1C[C@H]1B(O)O	2243419786	GQDGTPDKOZKHBA-CRCLSJGQSA-N	243.459	-0.125	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2243420171	NRAKHPHHGCSUBL-XSPKLOCKSA-N	227.069	-0.731	50	10	BBGE	
CC(C)N(CCCO)C(=O)[C@H]1C[C@H]1B(O)O	2243427626	YGGUJSKNLWLHFT-DTWKUNHWSA-N	229.085	-0.531	50	10	BBGE	
N[C@H]1C[C@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243427639	YJJIPXBHSFKJSS-JBDRJPRFSA-N	226.085	-0.907	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cscn1	2243668832	QZBMIHTZWJDFNA-SSDOTTSWSA-N	238.077	-0.026	50	10	BBGE	
O=C(O)/C=C/CNC(=O)C1(B(O)O)CCC1	2243755381	LZLHCMUTAQZRAF-HNQUOIGGSA-N	227.025	-0.860	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2C[C@H]2C1	2244214856	YCMPKOQVFLMYPM-BQBZGAKWSA-N	221.021	-0.949	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2coc(B(O)O)c2)CC1	2247722328	LJYNIVRBYLWPSJ-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC=CCCC1	2247733560	OGNMPXXBLSTCAR-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)C[C@@H]2CCCC[C@H]21	2247742908	VWJVNGMJONQBCN-DTWKUNHWSA-N	235.048	-0.681	50	10	BBGE	
CCCN(C)C1CN(C(=O)C2(B(O)O)CC2)C1	2247753984	BOLTZCQAJVZUGO-UHFFFAOYSA-N	240.112	-0.454	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1CCC1	2247762435	DXRWRFDVUSSVJU-UHFFFAOYSA-N	236.080	-0.765	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21	2247790121	FQZFMUQQSJHSQF-LZUHQUESSA-N	235.092	-0.038	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCC[C@H]1O	2247791819	OYXGRZVBWMLLMS-GENCIFFESA-N	241.096	-0.485	50	10	BBGE	
COC[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2247796646	BQBRFSQVKFJSDI-GUBZILKMSA-N	243.112	-0.116	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N(CCCO)C1CC1	2247798611	VUOQFBMUCFXNAQ-UHFFFAOYSA-N	241.096	-0.387	50	10	BBGE	
CC1(C)CCN[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247807399	HWNDKKLBZIIKTO-HRDYMLBCSA-N	240.112	-0.646	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2247810149	VEXMPOHZHJDEPO-SKMMDHMHSA-N	235.092	-0.038	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850760	SKYCBDBJGUDBBA-GMSGAONNSA-N	236.080	-0.435	50	10	BBGE	
CO[C@H](CN(C)C(=O)C1(B(O)O)CC1)C1CC1	2247854261	ZRODGDCMCXZBFM-SECBINFHSA-N	241.096	-0.123	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247855589	VBEPEENYYAJXLV-XKNYDFJKSA-N	241.096	-0.267	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2C)ccc1B(O)O	2247875396	XUIJDNPFKRYLGM-VIFPVBQESA-N	233.076	-0.091	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)[C@@H](C2CC2)C1	2247887149	KVEVQGPMWJARFW-DOLQZWNJSA-N	239.080	-0.921	50	10	BBGE	
CCC1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCNCC1	2247900703	ZAKHPALFYQOHDB-BDAKNGLRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCC(=O)O)NC(=O)C1(B(O)O)CCC1	2248573398	DFIIVIBXJRFHGF-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
CN[C@H](CNC(=O)C#CB(O)O)c1ccccc1	2255474187	QGXSJLKAVNUTTA-LLVKDONJSA-N	246.075	-0.921	50	10	BBGE	
O=C(c1cccc(B(O)O)c1F)N1C[C@H]2C[C@H]2C1	2255501450	QNQYBFDXLTYIQJ-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccc(B(O)O)cn1	2255523219	RIIYYIWZOZHGMW-DOFRTFSJSA-N	246.075	-0.710	50	10	BBGE	
C#Cc1c(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cnn1C	2255682924	NWIDQORXDUMVMQ-OCAPTIKFSA-N	247.063	-0.407	50	10	BBGE	
C=CC[C@@H](CC)NC(=O)c1ccncc1B(O)O	2255692794	XAEPGIWRQIEZLY-SECBINFHSA-N	248.091	-0.154	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2(C)COC2)c1	2255736610	QNWBLQUHUVPTNH-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
C=C[C@H](NC(=O)c1c[nH]nc1B(O)O)C1CCC1	2255787978	HSTXVVMAEQHOPL-VIFPVBQESA-N	249.079	-0.826	50	10	BBGE	
N#CCCCNC(=O)c1cc(B(O)O)ccc1O	2256017049	OVSLIOLNOORXEX-UHFFFAOYSA-N	248.047	-0.894	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258129617	XQJPFBBJBRQOSM-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165642	OVMGQTYBGLVWMF-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(C[C@@H]1C[C@H]1C(=O)NN)C2	2298208565	JQCAORLDKPURHF-BTQIBKBOSA-N	239.319	-0.277	50	10	BBGE	
CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1C	2298368516	JQYRJMCKWFJHJC-IMSYWVGJSA-N	241.096	-0.267	50	10	BBGE	
CO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]1B(O)O	2298370163	QDHUVXIOEKVXEF-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCC[C@@H]1O	2298370942	SMJKCHCUORXHLD-KYXWUPHJSA-N	241.096	-0.389	50	10	BBGE	
CC[C@@]1(C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298371249	DXEPWUMQYALCMD-KKZNHRDASA-N	241.096	-0.123	50	10	BBGE	
O=C1[C@H]2CCCC[C@H]2N1C(=O)[C@@H]1C[C@H]1B(O)O	2298371288	GNJQZCNPOKTKAK-JQCXWYLXSA-N	237.064	-0.223	50	10	BBGE	
CC[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298376704	JYGOGPAPLMLLML-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2C[C@]1(CO)C2	2299945061	FODTYBKLMFDGMO-BFLSOPEQSA-N	239.319	-0.541	50	10	BBGE	
N#CC1(F)CN(Cc2cc(C(=O)NN)co2)C1	2301425627	DBSGQHSOCMURKE-UHFFFAOYSA-N	238.222	-0.069	50	10	BBGE	
CCCNC(=O)CCN1CC[C@](C)(B(O)O)C1	2303155651	BUCHAELYSAJMOC-NSHDSACASA-N	242.128	-0.159	50	10	BBGE	
CN(CC(C)(C)O)c1cc(B(O)O)c(F)cn1	2303834480	GZSPVKIJNDJGRH-UHFFFAOYSA-N	242.059	-0.892	50	10	BBGE	
C#CCC1CN(c2cc(B(O)O)c(F)cn2)C1	2303836184	IUZDESPGBXQTIY-UHFFFAOYSA-N	234.039	-0.640	50	10	BBGE	
C[C@@H]1NC[C@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305443893	RCKNWDJYONRDBX-KWQFWETISA-N	239.275	-0.848	50	10	BBGE	
N#CCCC1CN(C(=O)c2cocc2B(O)O)C1	2315980359	HHFQEAHFDSHSGP-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
CC[C@H](O)CN(C)c1ccc(B(O)O)cc1C#N	2317152985	IBBFOVGHFXRGKO-NSHDSACASA-N	248.091	-0.555	50	10	BBGE	
O=Cc1ccc(NC[C@H]2CCCN2)cc1B(O)O	2317308680	MCXXLTJRDLTPJE-LLVKDONJSA-N	248.091	-0.657	50	10	BBGE	
CN[C@H]1CCCN(c2ncccc2B(O)O)CC1	2317812504	RJYWEWAGODRWNX-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)OC[C@H]1C	82467616	UCHQTVIIVQEMOG-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1CN(C)C	82468636	YHTKDVZIUPUZSA-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CS(=O)(=O)CC(=O)NC/C=C/CCl	160628970	RQXKJZYDTVQFHP-NSCUHMNNSA-N	225.697	-0.058	50	10	BBGE	
O=C1[C@H]2CCCN2C(=O)CN1C[C@@H](O)CCl	163076826	RXVALWJPEMBAKG-JGVFFNPUSA-N	246.694	-0.581	50	10	BBGE	
COCCOc1ccc(B(O)O)cc1C	203392619	OHQZZOQPTJWYMM-UHFFFAOYSA-N	210.038	-0.300	50	10	BBGE	
Cc1nc(-c2ccc(C)c(B(O)O)c2)n[nH]1	221560541	WGNCYQQNRIVMHI-UHFFFAOYSA-N	217.037	-0.232	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)OC)C(=O)NN	238297634	BEWPHMZUKLVOSJ-NTSWFWBYSA-N	203.242	-0.253	50	10	BBGE	
C[C@@H](NC(=O)c1ccncc1)C(=O)NN	238438157	GIAKPNUORJNHTA-ZCFIWIBFSA-N	208.221	-0.810	50	10	BBGE	
C[C@H](Cl)C(=O)NCCN1CCNCC1	244317492	XGJPFAXIALDOTD-QMMMGPOBSA-N	219.716	-0.365	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1N1CC(=O)OC(=O)C1	253283477	MAXXHLBACPBBIU-DTWKUNHWSA-N	226.276	-0.288	50	10	BBGE	
NC(=O)NN=C1CCCC(=NNC(N)=O)C1	254841995	XQPBAUJQNURZNH-UHFFFAOYSA-N	226.240	-0.391	50	10	BBGE	
CN(CC(=O)NC[C@H]1CCCO1)C(=O)CCl	258904393	GYJWNILWYYMFNJ-MRVPVSSYSA-N	248.710	-0.021	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@@H]1CNCCO1	306327734	KOPDVESIXKHTFS-YFKPBYRVSA-N	227.091	-0.105	50	10	BBGE	
O[C@H]1[C@@H]2OC[C@H]1O[C@H]2CBr	307046735	YOVIXEGZPWOBCY-SLPGGIOYSA-N	209.039	-0.092	50	10	BBGE	
NNc1cccc(B(O)O)c1Br	307113174	RBNGYYYUJBWUSR-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	307357937	XPIFCZBEPPTXNA-NKWVEPMBSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1c1cnn(C)c1	310305990	COOXXOGNLFQHKO-WCBMZHEXSA-N	237.307	-0.065	50	10	BBGE	
Cc1ccn(Cc2cc(C(=O)NN)co2)c(=O)n1	310578954	MDLJXPTUVCLOTK-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CO[C@H]1CCN(Cc2nc(C(=O)NN)co2)C1	387075207	YNOZFSXFMWSRDL-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1CC(=O)NN	388686092	ITKQSGKAUWWRDC-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CCC(=O)c1cc(OC)cc(B(O)O)c1	396034312	SCIAJUZJSHOWCM-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(B(O)O)cc1CO	396063727	WPPITNLYHFNRMP-SNVBAGLBSA-N	242.467	-0.272	50	10	BBGE	
O=[N+]([O-])c1ccc2nc(B(O)O)oc2c1	396098541	AYJJSCKKIMNVLL-UHFFFAOYSA-N	207.938	-0.584	50	10	BBGE	
N#CCc1cc(B(O)O)ccc1CCC(=O)O	396136158	HWQAIWPVHQPOKW-UHFFFAOYSA-N	233.032	-0.550	50	10	BBGE	
N#Cc1cc2cc(CO)cc(B(O)O)c2s1	396227843	TYTBFGXEAYPVCJ-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1ccncn1	396638972	OITROFZVTDLZQK-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
O=S(=O)(CCCl)NCc1cnn[nH]1	398341281	GQHQRIPXRMZPRK-UHFFFAOYSA-N	224.673	-0.537	50	10	BBGE	
CSCCC(=O)Nc1cc(B(O)O)ccn1	405029576	MGOCZJVDYMSECK-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@](C)(O)CO	491081368	FZKVUMZEVBJXBB-YVFTVSHDSA-N	228.248	-0.710	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F	584939961	PFPRAOICYGRIRN-LDWIPMOCSA-N	237.039	-0.356	50	10	BBGE	
CC1(C)COC[C@@H]1NCc1cccc(B(O)O)c1	585044736	RKGLPIZYURSVHQ-LBPRGKRZSA-N	249.119	-0.119	50	10	BBGE	
COC[C@H](CCCl)NCc1nnnn1C	697710539	KUASHEQCLRHQPG-ZETCQYMHSA-N	233.703	-0.056	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@H]2CCOC2)c1	699672759	VEZZVIXADAWBCU-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
N#CC1CCN(CCCC(=O)NN)CC1	703230147	OTTFEBRZDFQEOX-UHFFFAOYSA-N	210.281	-0.008	50	10	BBGE	
CN(N)C(=O)CNC(=O)c1cccc(F)c1	704680206	AJEYGPUUQGCSLO-UHFFFAOYSA-N	225.223	-0.112	50	10	BBGE	
CCC[C@@]1(O)CCCN(CCC(=O)NN)C1	710192512	APHLDAJJYPKQBB-LLVKDONJSA-N	229.324	-0.007	50	10	BBGE	
CCNC(=O)N1CCc2c(B(O)O)cccc21	712132243	LKFHYLAUZJWQII-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)c1ccccc1	714405026	UVOHYLJGNRHVKS-VIFPVBQESA-N	223.276	-0.136	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723697486	OSVMVQYCPCOPHJ-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
O=CC1=CC[C](N2CC(=O)NC(=O)C2)S1	725586189	AYGFFMNGRHOOOG-UHFFFAOYSA-N	225.249	-0.346	50	10	BBGE	
CC[n+]1[nH]cnc1C1=[S+]C(C=O)=CC1	725625339	BJBCRNLUBINMSO-UHFFFAOYSA-O	209.274	-0.193	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)n1C	729456364	GBCZXDZUNKYRSR-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
CCC1(C(=O)NNC(=O)c2cnn[nH]2)CC1	749380099	HRCUAYBMHJFMJQ-UHFFFAOYSA-N	223.236	-0.244	50	10	BBGE	
CNC(=O)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1O2	790490199	MAGRGOXQEOOHRG-BRDIYROLSA-N	227.264	-0.096	50	10	BBGE	
C/C=C\CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1	858701280	KPEJSNSAWUNNKM-XDVGHUOJSA-N	240.263	-0.829	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCC(=O)O1	868242664	UVLJVSOIOLNQJK-SSDOTTSWSA-N	216.237	-0.699	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	910138914	MPMFGHVRFUMIFW-HXFLIBJXSA-N	214.265	-0.777	50	10	BBGE	
C[C@@H]1CN(Cc2ccccc2B(O)O)C(=O)N1	953006151	YXHMSVHCVFBKGG-MRVPVSSYSA-N	234.064	-0.720	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)c1cc[nH]n1	1147072483	DAOJDUUJHZZMQC-QMMMGPOBSA-N	237.263	-0.735	50	10	BBGE	
NC(=O)CCn1ccc(NC(=O)CCl)n1	1253967756	BOJDQBRQZZONOT-UHFFFAOYSA-N	230.655	-0.064	50	10	BBGE	
Cc1nnc(NNC(=O)CCCCO)n1C	1329581930	HZXRHNYWLXAZBG-UHFFFAOYSA-N	227.268	-0.271	50	10	BBGE	
N#CSCCCNC(=O)CC(N)=O	1334389141	KCCDDNZWMHATEB-UHFFFAOYSA-N	201.251	-0.418	50	10	BBGE	
CC[C@H]1CC(=NNC(=O)C(=O)OC)CO1	1347226342	XGMIXRZQYFNHGN-ZETCQYMHSA-N	214.221	-0.170	50	10	BBGE	
CC(=O)NNC(=O)c1cn2nccc2nc1C	1587582093	PSMQYUGGODTEBE-UHFFFAOYSA-N	233.231	-0.181	50	10	BBGE	
C=C/C=C\CC(=O)NNC(=O)c1ncon1	1648116385	UJNBBHNKTJGPNO-ARJAWSKDSA-N	222.204	-0.037	50	10	BBGE	
C[C@H](C(=O)NNc1cnnn1C)n1cncn1	1648816417	TVBAOOJIMNQSOH-ZCFIWIBFSA-N	236.239	-0.889	50	10	BBGE	
C=C(CCl)CN1C[C@H](O)[C@H](O)[C@@H]1CO	1877831734	AGDDGLFAISHPCI-XHNCKOQMSA-N	221.684	-0.820	50	10	BBGE	
O=C(NCCO)[C@H]1C[C@H]1Br	1880107324	KHDBXJNANGXLOR-CRCLSJGQSA-N	208.055	-0.122	50	10	BBGE	
NC(=O)N1CC(NC[C@@H]2C[C@@H]2Cl)C1	1883553372	QLRNSGFWCFVREG-FSPLSTOPSA-N	203.673	-0.034	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CCO1	1889749609	DQMFJBIRBQYVRM-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
N=C(N)[C@H]1CN(C(=O)F)[C@H]2CCN1C2	1891752003	BQOHQBZFDGWVJU-NTSWFWBYSA-N	200.217	-0.230	50	10	BBGE	
CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1Cl	1893453825	RCKPTJFXNKKUMI-CSMHCCOUSA-N	220.700	-0.348	50	10	BBGE	
CCN([C@@H](C)CC(=O)NN)S(=O)(=O)CC	1893854270	JNVPTQPJNAPFOE-ZETCQYMHSA-N	237.325	-0.574	50	10	BBGE	
OB(O)C1CCN(C[C@]2(O)CCOC2)CC1	1899600854	VEXLJNUDLPRTNC-SNVBAGLBSA-N	229.085	-0.923	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	1901323799	NRMIQUOLBRJWLD-KBIXCLLPSA-N	227.308	-0.400	50	10	BBGE	
CN(NC(=O)[C@H]1CCCCNC1)S(C)(=O)=O	1901376994	IUYKCBXRTMJWAA-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1CCC(O)CC1	1905866120	OHJPKOXAOGEGMY-IDWGSYCQSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1ncc(B(O)O)cc1F	1907082175	ZEMKQVBNDYGQKK-SFYZADRCSA-N	238.071	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](O)[C@@H]2CC[C@@H]21	1909252186	OPQJVKUFSUDDPP-APLZJWDSSA-N	239.319	-0.542	50	10	BBGE	
CC1(F)CN(C[C@@H]2CCC[C@@H](C(=O)NN)O2)C1	1909805162	LTISIPBPRUNDBI-IUCAKERBSA-N	245.298	-0.042	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CC#N)C1	1915063823	WWVSFVZNNJWTNI-BDAKNGLRSA-N	210.281	-0.010	50	10	BBGE	
CN(C)CC=CC(=O)NNC(=O)C(F)(F)F	1923411343	AGEREASCPZHETI-UHFFFAOYSA-N	239.197	-0.186	50	10	BBGE	
C[C@H](CCC(F)(F)F)NC(=O)C(=O)NN	1927769640	PQSWGJIUCGGGBA-SCSAIBSYSA-N	227.186	-0.177	50	10	BBGE	
C[C@@H]1COCCN1C[C@H]1C[C@H]1C(=O)NN	1927914183	RHSPKLAWDTXKEZ-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCSCC1=O	1927916712	GHXZTOIJZRLPSR-RQJHMYQMSA-N	229.305	-0.812	50	10	BBGE	
Cn1nnc(CN[C@H]2COC[C@H]2CCl)n1	1928743423	HYUGVORZZPXILB-RQJHMYQMSA-N	231.687	-0.447	50	10	BBGE	
O=C(NCCCl)[C@@H]1CCS1(=O)=O	1930863160	VYJXZWBSRYFFGE-YFKPBYRVSA-N	211.670	-0.472	50	10	BBGE	
C[C@@H](CC#N)N(C)CC1(C(=O)NN)CC1	1931266551	HRBZGENVAACOOI-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
CCN(CCOCC(=O)NN)CC(C)(C)O	1936537585	URYYQNRQBIQFII-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@]12CC[C@H]1C2	1940153895	SJMPRVYGSLWYEO-SSDLBLMSSA-N	238.077	-0.439	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941289302	WOGRFRDFDPDJLV-DBIOUOCHSA-N	241.335	-0.010	50	10	BBGE	
CN(C)C1CCN(CCOCC(=O)NN)CC1	1941784543	QLLZAHVJWGOYNX-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](OC(=O)N(C)C)C1	1942659435	JLCMJICOHVFLEP-JGVFFNPUSA-N	244.295	-0.863	50	10	BBGE	
COC(=O)N1CCc2cccc(B(O)O)c2C1	1944860619	VAXXRRAWOPELKD-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H](CO)[C@H](C)O	1954185416	DVNAFQVFNFMAHA-VQVTYTSYSA-N	209.673	-0.281	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)CC1=O	1954824051	RONXCTNAANALPP-SSDOTTSWSA-N	206.673	-0.640	50	10	BBGE	
O=S1(=O)CC[C@H](CN[C@H]2C[C@H]2CCl)N1	1955100518	SLXQJFCJNBSITA-RNJXMRFFSA-N	238.740	-0.105	50	10	BBGE	
C[C@@H]1CN(C(=O)NN)CC[C@H]1CCO	1956957635	QYBIIAJPBUPSHQ-SFYZADRCSA-N	201.270	-0.090	50	10	BBGE	
OB(O)c1ccn([C@H]2CC[C@@H]3C[C@@H]3C2)n1	1957524209	KHZQBAFGAVNCLP-HLTSFMKQSA-N	206.054	-0.076	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(CCC(=O)NN)C1	1957739220	OVZFEIMXJCMZGL-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1958420738	YIGUMNAETGEDPE-ZOZBQHSOSA-N	209.293	-0.047	50	10	BBGE	
COCCOc1ncc(C)cc1B(O)O	1961696116	MXPUZNMBZBURPD-UHFFFAOYSA-N	211.026	-0.905	50	10	BBGE	
Cc1cc(O[C@H]2C[C@@H]2C)ncc1B(O)O	1961696329	PILCKNBIZFCDMW-CBAPKCEASA-N	207.038	-0.143	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)NN)C[C@H]1OC	1962378964	WWPRMJPHPIJMSO-WHUPJOBBSA-N	217.269	-0.401	50	10	BBGE	
NNC(=O)N1CC(O)(c2ccccc2)C1	1974938037	NCRXYMNYJWRFID-UHFFFAOYSA-N	207.233	-0.227	50	10	BBGE	
CN(Cc1ncno1)CC(C)(C)C(=O)NN	1976745407	MCGXBXISFOURAT-UHFFFAOYSA-N	227.268	-0.483	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)CC[C@@H]1CO	1979552199	VYRLMZWBUGCUML-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
N#CC1=CCN(C(=O)C2(CO)CNC2)CC1	1980954611	UJORQJMMSBUGEZ-UHFFFAOYSA-N	221.260	-0.749	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCP(C)(=O)CC1	1981159181	VMXJUNQNNQYHJJ-MRVPVSSYSA-N	249.251	-0.700	50	10	BBGE	
OB(O)c1cncnc1N1CC(C2CC2)C1	1981413864	LKOSFWZPVGXRDI-UHFFFAOYSA-N	219.053	-0.997	50	10	BBGE	
OB(O)c1cc(Cl)cnc1N1CC[C@@H](F)C1	1981469189	OGECSXZRNMKJOL-SSDOTTSWSA-N	244.462	-0.037	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@@H]1F	1982809389	SBRYOEAYHLMIOM-WDSKDSINSA-N	224.000	-0.942	50	10	BBGE	
CO[C@@H](C)COCc1cccc(B(O)O)c1	1986049912	YFQXPSKZRQKKGP-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986730843	WJBXEHRISJSSKF-JLIMGVALSA-N	227.308	-0.542	50	10	BBGE	
O=C1C[C@H](NC(=O)NC(=O)CCCl)CCN1	1987021785	GXKTZACYQJEAHA-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCOC[C@H]1F	1987224227	KEUYAHGDVTUFGM-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H]1C1CC1)C(=O)NN	1987391683	PKLMFWINQCHURI-FKTZTGRPSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ccns1	1990774321	HKNNHXPGHCCHBW-UHFFFAOYSA-N	242.304	-0.258	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1CC2(CC2)CO1	1991326651	JBWATJNYSWKCJU-MRVPVSSYSA-N	225.053	-0.760	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@@]1(O)CCOC1	1991712716	KDATUMPDMLWZGL-TXXBHVLJSA-N	247.678	-0.034	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2[C@H]1C2(F)F)C(=O)C(=O)NN	1996489168	XJVNDJBUTRKTRY-ACZMJKKPSA-N	247.245	-0.274	50	10	BBGE	
C#CCC(C)(C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998138134	SQDCRELCWZTLFM-ZETCQYMHSA-N	241.052	-0.922	50	10	BBGE	
CC[C@H](O)CN(CC1(C(=O)NN)CC1)C1CC1	2000012288	VTVUGPPVSPKXKI-JTQLQIEISA-N	241.335	-0.008	50	10	BBGE	
COC[C@]1(C)COCCN1CCCC(=O)NN	2002850618	MRDOMMNDSAVRPY-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@H]21	2004912202	QCNDEQPYXYUCPI-JMJZKYOTSA-N	232.092	-0.004	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)C[C@H](C)O1	2004935727	PJPBVNVJJPNUJY-IUCAKERBSA-N	236.080	-0.625	50	10	BBGE	
CC1(CF)CN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	2008691375	DYDKBOHVVVSPIJ-RKDXNWHRSA-N	245.298	-0.185	50	10	BBGE	
COCCN1[C@@H](C)CN(CC(=O)NN)C[C@H]1C	2013855712	AXQVLKXAPVMXAR-AOOOYVTPSA-N	244.339	-0.983	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1[C@H]2C[C@H]1CN(C)C2	2014270387	JPLODKZMODWKDQ-DCAQKATOSA-N	240.351	-0.221	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC(C)(C)CC1	2019217889	BTFFODJYIGODHE-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
O=C1NCC[C@H]1CN1[C@H]2CC[C@H]1C(=O)OC2=O	2019986945	FIEQKHUVTAKQAT-FXQIFTODSA-N	238.243	-0.961	50	10	BBGE	
CCn1cc(C(=O)NCC=CB(O)O)c(C)n1	2020062544	SDWGRWVOIKFRKE-UHFFFAOYSA-N	237.068	-0.491	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@H]2C(N)=O)cc1	2028917804	CKDXVZPRNOTWQR-JTQLQIEISA-N	248.286	-0.650	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@]2(CCO2)C1	2035806441	QOJCXHLMINUGCW-ZDUSSCGKSA-N	247.103	-0.269	50	10	BBGE	
COC[C@]1(C)CCN1Cc1ccc(B(O)O)cc1	2055901299	BWLATLKHAJPGEQ-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
N#Cc1cc(B(O)O)cc(C=O)c1Cl	2060100716	QMZSKVIRSTZHBX-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CCC=C2B(O)O)n(C)n1	2076075852	HZWAMKANOQDDMP-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
Cc1cc(CN(C)C[C@H]2C[C@H]2C(=O)NN)ncn1	2085655343	VYHREMJZGGCNEX-MWLCHTKSSA-N	249.318	-0.157	50	10	BBGE	
OB(O)c1csnc1COC1CCC1	2209701567	CIWRNLNVQJQULB-UHFFFAOYSA-N	213.067	-0.108	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CN(C)CC(=O)NN	2209791488	WBDNVRDGJKAAIH-HTQZYQBOSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H](OC(F)F)C1	2211173223	DZYFNODRSIZTRX-YFKPBYRVSA-N	237.206	-0.794	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC2(COC2)C1	2211838479	HUFPDDDEQUEVNK-IUCAKERBSA-N	225.292	-0.665	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC1(F)CCOCC1	2212152664	MEBALLGSPGTONN-QMMMGPOBSA-N	233.287	-0.185	50	10	BBGE	
C#C[C@H](CCC)Oc1cc(B(O)O)ccn1	2212609846	YCWMRYUVOPYEMC-SNVBAGLBSA-N	219.049	-0.058	50	10	BBGE	
CC1(CNc2cc(B(O)O)ccn2)CSC1	2212615533	QJUHFUJJVFBQQW-UHFFFAOYSA-N	238.121	-0.074	50	10	BBGE	
CCN(C)C1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215772884	QPQTYFQFIZPRDL-ONGXEEELSA-N	240.351	-0.362	50	10	BBGE	
CN(Cc1nccs1)c1cc(B(O)O)ccn1	2217172383	JRXZPGBJHMHLTB-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
C[C@H]1NCC[C@@H]1COc1ncccc1B(O)O	2217173171	NXUWMZZTNJUGRQ-RKDXNWHRSA-N	236.080	-0.862	50	10	BBGE	
CC(C)[C@@](C)(N)COc1ccc(B(O)O)cn1	2217192522	YXPIVFMXIWSPDM-NSHDSACASA-N	238.096	-0.486	50	10	BBGE	
CCNC[C@H](C)Oc1nccc(B(O)O)c1F	2217193501	NMTXQELUJYPHTQ-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
OCCC1(CNc2ccc(B(O)O)cn2)CC1	2217197131	KKJKBXCCYIZABN-UHFFFAOYSA-N	236.080	-0.664	50	10	BBGE	
OB(O)c1cnc(=NCC2CC3(CC3)C2)[nH]c1	2217201910	SPGMVRSZFWMFCC-UHFFFAOYSA-N	233.080	-0.820	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H]1CO	2220071561	IIIIFCPFQJGEPJ-ZYHUDNBSSA-N	249.119	-0.573	50	10	BBGE	
OC[C@H]1C=CCCN1Cc1cccc(B(O)O)c1	2220073301	SPIWKKKUKDHLJV-CYBMUJFWSA-N	247.103	-0.511	50	10	BBGE	
CN(Cc1ccncn1)C[C@H]1CC[C@H]1C(=O)NN	2221566732	KXCQRXGVZMFUHE-MWLCHTKSSA-N	249.318	-0.076	50	10	BBGE	
NC[C@H]1CCCCN(c2cc(B(O)O)ccn2)C1	2223635194	UBUJFUOJDPKPHS-SNVBAGLBSA-N	249.123	-0.673	50	10	BBGE	
OB(O)c1ccc(NC2([C@@H]3CCNC3)CC2)nc1	2223646837	QBPKLHCXCNVUQY-SECBINFHSA-N	247.107	-0.685	50	10	BBGE	
CC1(C)CC[C@H](Nc2ncccc2B(O)O)CN1	2223649692	BWSVFQBNCBRBIJ-VIFPVBQESA-N	249.123	-0.296	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2C[C@]3(CCNC3)C2)c1	2223655662	CQBBBYALRVKLSS-KLPPZKSPSA-N	248.091	-0.718	50	10	BBGE	
CN1CCCC[C@@H](Nc2ccc(B(O)O)cn2)C1	2223669397	JGFMOXMZOCQXGA-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@]23CCCO3)nc1	2223674389	PFPRYSGMOXLMIX-ZYHUDNBSSA-N	248.091	-0.115	50	10	BBGE	
NNC(=O)CCSC[C@@H]1CCCN1	2241336436	CEBLMDMZUNMNPB-ZETCQYMHSA-N	203.311	-0.148	50	10	BBGE	
C#CCCN(C)C(=O)c1cscc1B(O)O	2243347073	HBMWCWRLHCBDSQ-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
COC[C@@H](CF)NC(=O)C1(B(O)O)CCC1	2243349173	HEWCZRXMEMEIGZ-SSDOTTSWSA-N	233.048	-0.516	50	10	BBGE	
CC1(C)CN(C(=O)c2csc(B(O)O)c2)C1	2243361495	CBMHZGISQURDQU-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
CCC1(NC(=O)c2sncc2B(O)O)CC1	2243385735	NOSKPMJDECJULP-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
O=C(NC[C@H](O)C1CC1)[C@H]1C[C@H](B(O)O)C1	2243391768	OBCIKMWOSYDWPZ-CIUDSAMLSA-N	227.069	-0.874	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)n[nH]1	2243396854	RRZGULQLWJELOQ-JGVFFNPUSA-N	223.041	-0.803	50	10	BBGE	
O=C(NC1CCCC1)c1ccoc1B(O)O	2243399836	RCOGCQQJLPNLMH-UHFFFAOYSA-N	223.037	-0.368	50	10	BBGE	
CN(CCC1(F)CCC1)C(=O)C#CB(O)O	2243401766	WHZOKLAHGDGOJS-UHFFFAOYSA-N	227.044	-0.258	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@@H]2C[C@H]21	2243406884	HFPLMXNVJKCTKN-HTRCEHHLSA-N	237.089	-0.338	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243419602	CBXWXZLLPUGRNF-VGMNWLOBSA-N	226.085	-0.953	50	10	BBGE	
O=C(NCC1=CCCOC1)[C@H]1C[C@@H]1B(O)O	2243425897	CKJDMFUICAAPKB-IUCAKERBSA-N	225.053	-0.688	50	10	BBGE	
C=C1CCCN(S(=O)(=O)CC(=C)B(O)O)C1	2243432613	BQDZDFHLOIDZBE-UHFFFAOYSA-N	245.109	-0.464	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](C)CC1CC1)B(O)O	2243433213	JNINGMVPGRWXOS-MRVPVSSYSA-N	247.125	-0.337	50	10	BBGE	
O=C(O)C[C@H]1CCN1C(=O)C1(B(O)O)CC1	2243753579	WCTGTRICKXITRI-ZCFIWIBFSA-N	227.025	-0.931	50	10	BBGE	
C#CC1(NC(=O)C#CB(O)O)CC(C)(C)C1	2244948129	BUNHNIOKZUWMBY-UHFFFAOYSA-N	219.049	-0.690	50	10	BBGE	
C#CC1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC1	2244948486	GWQJMSMQOPJYAV-DTORHVGOSA-N	221.065	-0.089	50	10	BBGE	
CCC(CC)(CC(=O)NCB(O)O)C(=O)O	2245256534	YZHGADZRFDOPBA-UHFFFAOYSA-N	231.057	-0.604	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1CC1(F)F	2247732152	CHLUWJWKJBXJAO-LURJTMIESA-N	244.990	-0.595	50	10	BBGE	
CCC[C@@H]1COC[C@H]1N(C)C(=O)C#CB(O)O	2247741386	YXTDOIPMLUZQNX-NXEZZACHSA-N	239.080	-0.725	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247747439	NKQHVPVGNWXWBX-SSDOTTSWSA-N	236.080	-0.435	50	10	BBGE	
CCCONC(=O)c1c(F)cccc1B(O)O	2247751970	GGHFKANADRBWNE-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
O=C(N[C@H]1COC2CC1C2)C1CC(B(O)O)C1	2247793742	ZOTWLOGQNBTXLA-XZXVQBCNSA-N	239.080	-0.467	50	10	BBGE	
CN1CCC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247798968	YQYUTUHMPWMENL-UDNWOFFPSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247805308	BDQUTSZOXVLRAN-RGOKHQFPSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@H]1C2)C1CC(B(O)O)C1	2247807186	HMFLZLDDPKXEJZ-SOHWVZJWSA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H]2CC[C@@]2(CO)C1	2247809004	WYUNAAXAUWIIPE-DKIAZLNASA-N	239.080	-0.920	50	10	BBGE	
O=C(NCCCF)c1cc(F)ccc1B(O)O	2247854356	BJAJGLCDRTZHGQ-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
C#CC#CCNC(=O)c1cc(C)c(B(O)O)s1	2247855064	MVLYCOKVXHQDDZ-UHFFFAOYSA-N	247.084	-0.897	50	10	BBGE	
COC[C@@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247855588	VBEPEENYYAJXLV-QEYWKRMJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ccc(B(O)O)o1	2247866715	QZWIRVRQSFZHOF-XLPZGREQSA-N	235.048	-0.512	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H](C)C1	2247870233	GRHCMOIQNRNFMM-SSDOTTSWSA-N	237.064	-0.250	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)cn1C	2247874020	NVQKWKJKDCACDK-IONNQARKSA-N	236.080	-0.815	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2247887699	QXSGXYCWSZUXKY-FXPVBKGRSA-N	241.096	-0.218	50	10	BBGE	
CN1CC[C@H](CN(C)C(=O)[C@H]2C[C@H]2B(O)O)C1	2247896495	HPYMXNAZLWPMTP-LPEHRKFASA-N	240.112	-0.741	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@H]1C[C@@H]1B(O)O	2247899920	RKMJTIIISHWKRJ-GGACONNJSA-N	235.092	-0.133	50	10	BBGE	
O=C(NCCCN1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247900070	SPJXSAWGZRZQBB-AOOOYVTPSA-N	240.112	-0.549	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2C[C@]2(O)C1	2247904865	RAQMYCJKGQCQFZ-LURLDICESA-N	239.080	-0.777	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC[C@@H]2C[C@H]21	2249416961	ZDKLKHHSEIQBRX-GMSGAONNSA-N	235.048	-0.416	50	10	BBGE	
COCC1(C)CC(N(C)C(=O)C#CB(O)O)C1	2251508482	UEHIUPLRJSQUCW-UHFFFAOYSA-N	239.080	-0.725	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2255497916	JPJAVZLXBABHOA-UHFFFAOYSA-N	249.050	-0.092	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H]1CC12CC2	2255498242	PRBIVQRGUMYAKP-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccc(B(O)O)cn1	2255516235	JKERRJOSAUBUPF-MBTKJCJQSA-N	248.091	-0.607	50	10	BBGE	
COc1cc(C(=O)NC2(C)CC2)ccc1B(O)O	2255554575	OFPBUGOWBJOIFL-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ncccc1B(O)O	2255677026	AMICUBIKIUEWIH-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N(C)CCC#N	2255683484	XJTMLCAZFQLXEL-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H](C)CC#N	2255688918	BWNBYDFNSMZNTP-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
CCCC=CCNC(=O)c1ncncc1B(O)O	2255713383	AFARDNCMLBZUQJ-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@@H]2CC[C@@H]2C1	2255727032	ZVHMQQUQFUHFHJ-DTWKUNHWSA-N	249.075	-0.169	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)c1cn[nH]c1	2255738866	ZVTKDTMYSZEVFN-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)Nc1cccc(B(O)O)c1	2255891505	DVNURVVXAFLQIV-LLVKDONJSA-N	244.059	-0.394	50	10	BBGE	
CC[C@]12C[C@@H]1CN(C(=O)c1cocc1B(O)O)C2	2258127064	YDZNVMUVJHJQFE-PRHODGIISA-N	249.075	-0.169	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)C[C@@H]1CC[C@@H]1C(=O)NN	2298165235	LYELXMVYIIMXBE-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@@H]1CN	2298370321	VRFVOZASWJOWBD-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
CC1(C)CCNC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371549	OGPGLTDZRZNOEL-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@H]1CCNC12CCC2)[C@H]1C[C@H]1B(O)O	2298375515	NCFPHBVWTHGHSI-YIZRAAEISA-N	238.096	-0.750	50	10	BBGE	
CN1CCC2(CC1)CN(C(=O)NN)CCN2C	2301455039	WRNIOBUWWSVQNY-UHFFFAOYSA-N	241.339	-0.719	50	10	BBGE	
CC1(C)CO[C@H](CN2CC[C@@H](B(O)O)C2)CO1	2303156087	UBPGWUQSCVOPRQ-NXEZZACHSA-N	243.112	-0.271	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H](O)[C@H]1C2)C(=O)NN	2303422077	GSQWHQUGMCBOKY-MIZYBKAJSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@H](Nc2ccc(B(O)O)cc2C#N)CO1	2317151077	MVANNTLMCDZEOM-GZMMTYOYSA-N	246.075	-0.173	50	10	BBGE	
CCC(CO)(CO)NC(=O)CCCl	58837080	PSLQXGJZUPQBBB-UHFFFAOYSA-N	209.673	-0.135	50	10	BBGE	
Cc1cc(C)c2nnc(C(=O)NN)n2n1	75848687	FTCPCAGBAXDYHK-UHFFFAOYSA-N	206.209	-0.655	50	10	BBGE	
COC(=O)/C(C#N)=C1\NN=NN1NC(C)=O	82291411	VYOHZLIXAAFRHC-AATRIKPKSA-N	224.180	-0.867	50	10	BBGE	
CC(C)[C@H](O[C@H]1CCOC1)C(=O)NN	82465454	AQPZSANXAMUULM-YUMQZZPRSA-N	202.254	-0.194	50	10	BBGE	
NNC(=O)CCCOC[C@@H]1CCOC1	82465627	VCIOEGIUVNBDCP-QMMMGPOBSA-N	202.254	-0.190	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCO[C@H](C)C1	82466169	VZAJEYYSYSXJCP-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)N1CCOCC1	83212990	CGSOUGHZYMYUTR-SSDOTTSWSA-N	242.728	-0.220	50	10	BBGE	
NNC(=O)CN1CCC(CN2CCCC2)CC1	110582707	OCEZBLRLAKYEHN-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@H]1CCCO1	121528516	FPAZGPVIJAACOB-SSDOTTSWSA-N	216.237	-0.651	50	10	BBGE	
C[C@@H](C(=O)NN)n1cnc(C#N)c1C#N	125440308	IEPRJRCCDOOKIZ-YFKPBYRVSA-N	204.193	-0.823	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CCS(=O)CC1	132773689	MHGIZHVDMNRLFI-ZCFIWIBFSA-N	225.697	-0.257	50	10	BBGE	
CN1CC(=O)N(C[C@H](O)CCl)C1=O	148031333	AXYQQHWVMQZGTQ-RXMQYKEDSA-N	206.629	-0.520	50	10	BBGE	
C[C@H](NC(=O)CCl)C(=O)N1CCOCC1	159170198	VEXZOXONZYSWRZ-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
CC(C)(CN1CC[C@H](CCO)C1)C(=O)NN	159980443	RFOXCLQRPKTWDO-SECBINFHSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](CN(C)CC1(O)CCOCC1)C(=O)NN	162490224	AMZAXGDXUWZZLK-VIFPVBQESA-N	245.323	-0.914	50	10	BBGE	
O=C(NCCCl)C(=O)NC1=NCCS1	170359863	OGIDQTIQTWXWJZ-UHFFFAOYSA-N	235.696	-0.440	50	10	BBGE	
Cc1cnn([C@H]2CCCCO2)c1B(O)O	203706136	VWHLNQRRCVKGAR-MRVPVSSYSA-N	210.042	-0.430	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)NC1CC1	204247110	QGLCBDPKRWLBQE-UHFFFAOYSA-N	234.064	-0.672	50	10	BBGE	
NC(=O)NNC1=Nc2ccccc2[C@@H]1O	205635668	CNXAICYHVYQAGT-ZETCQYMHSA-N	206.205	-0.064	50	10	BBGE	
CC[C@@H](N)CS[C@@H](COC)C(=O)NN	232421716	RLJRUEYXXCXDEH-RQJHMYQMSA-N	221.326	-0.538	50	10	BBGE	
CO[C@H]1CCN(Cc2cccc(B(O)O)c2)C1	234899791	TVULQEDWMGNRHC-LBPRGKRZSA-N	235.092	-0.413	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1cn(C)nn1	235759397	MKCALDNVVKQJOM-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](CC(=O)NN)SCC(=O)NC1CC1	300804885	GEHIMCWVAUSKEG-LURJTMIESA-N	231.321	-0.233	50	10	BBGE	
NNC(=O)C(=O)N1CCC2(CCOCC2)C1	304312736	BDERSHMWYSXZPO-UHFFFAOYSA-N	227.264	-0.995	50	10	BBGE	
Cn1ncnc1CN[C@@H]1COC[C@H]1Cl	306313655	VDTRGNJBQCFONZ-RNFRBKRXSA-N	216.672	-0.089	50	10	BBGE	
OB(O)c1c(O)cncc1C(F)(F)F	307042501	RJMBPIOIIHRJIX-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
OB(O)c1nccc(C(F)(F)F)c1O	307472633	ZZGPHJJGUXQPSV-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
COCC[C@@]1(C(=O)NN)CCN(C(C)=O)C1	309086394	NLYKYFBMXKUYNO-JTQLQIEISA-N	229.280	-0.749	50	10	BBGE	
Cc1ccc(CN2CCOC[C@H]2C)cc1B(O)O	313758952	WLYLIKGIWIEZRZ-LLVKDONJSA-N	249.119	-0.104	50	10	BBGE	
CC[C@@](C)(CO[C@@H](COC)C(=O)NN)OC	319437269	HVJKXMPMBAEBDX-WPRPVWTQSA-N	234.296	-0.177	50	10	BBGE	
CCCCS(=O)(=O)NNC(=O)NC	379389223	LBMKPNNYOOOKDM-UHFFFAOYSA-N	209.271	-0.450	50	10	BBGE	
O=C(NNC1CCCC1)[C@@H]1COCCN1	379457145	OLUWKLVTPFGIOI-VIFPVBQESA-N	213.281	-0.462	50	10	BBGE	
COC1CN(Cc2ccccc2B(O)O)C1	380528200	CGUYMFGGVIHPLX-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
Cn1nc(C2CCC2)c2cc(B(O)O)cnc21	383835076	UABNTBURIXGCBW-UHFFFAOYSA-N	231.064	-0.084	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@H]1N(C)C(=O)C(=O)NN	384960392	SDSNXRJGQAETSM-DSYKOEDSSA-N	215.253	-0.999	50	10	BBGE	
COCC1(O)CN(CCC(C)(C)C(=O)NN)C1	395602826	YJKDNXSLZGWZDN-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1	396050180	KIWCWIAYIFBMNN-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
N#CCc1ccc(CCC=O)c(B(O)O)c1	396141331	ZJAHWKUBEJMPDZ-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
N#Cc1cc(CO)c2sc(B(O)O)cc2c1	396229711	WOWMYGMNXIXJOL-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CNC(=O)[C@@H]1CCN([C@@H](C(=O)NN)C(C)C)C1	398472487	GWMNSBIMYWGNAJ-RKDXNWHRSA-N	242.323	-0.931	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(CCO)CC1	400963367	CHECYYPYOUACPW-SNVBAGLBSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](N[S@@](C)=O)c1cccc(B(O)O)c1	405036382	NNRSNXDWDPMZAG-KWKYVRJSSA-N	227.094	-0.690	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCSCC1	606286014	AZCGUAAUQNZTMR-ZCFIWIBFSA-N	217.294	-0.622	50	10	BBGE	
CN1CC(=O)[C@@H](C(=O)CCBr)C1=O	642881744	VPDSUTADFLDSKL-SSDOTTSWSA-N	248.076	-0.002	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1Cc1ccc(B(O)O)cc1	688928057	SXRPIQOYGGIAAB-PHIMTYICSA-N	249.119	-0.024	50	10	BBGE	
CCN1CC[C@H](N(C)[C@@H](C)C(=O)NN)C1	689046494	FHNFYSDIMXHPFZ-IUCAKERBSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CN1CC[C@H]2COC[C@H]2C1)C(=O)NN	690723921	QCNOOCQEIJUDLJ-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
Cc1cnc(Cn2nc(C)c(B(O)O)c2C)nc1	692681069	NIMWWTDMWZHITR-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
Cc1ncc(CN(C)CCC(=O)NN)n1C	701659262	XQYRADQZIOHRAG-UHFFFAOYSA-N	225.296	-0.460	50	10	BBGE	
O=C(/C=C\c1ccc2c(c1)OCO2)NCB(O)O	702030005	MDYXNJYPLUSLRO-RQOWECAXSA-N	249.031	-0.443	50	10	BBGE	
CC[C@H](Cn1nc(C)c(B(O)O)c1C)OC	703793539	CWXUDKNAOHKBOC-SECBINFHSA-N	226.085	-0.395	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1C[C@@H](O)C1	703809911	WNKRHRBKEYWQHW-AATLWQCWSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)Cc1ncnn1C	707410689	CPPNOIZITIDJSP-QMMMGPOBSA-N	240.311	-0.595	50	10	BBGE	
N#CC1(O)CCN(c2ncc(CO)cn2)CC1	709384214	GQKINDIZGSLONR-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
C[C@@]1(C2CC2)CN(CC(=O)NN)CCO1	709863840	LQDYPEVHCROPTR-JTQLQIEISA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN(C)C)Oc1cc(F)cc(B(O)O)c1	713944215	WYXLMPWSZLPXAN-MRVPVSSYSA-N	241.071	-0.166	50	10	BBGE	
COc1ccc(B(O)O)cc1OCC[C@H]1CO1	718545700	HGYDDEHJIAPQPK-VIFPVBQESA-N	238.048	-0.457	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)C(=O)NN)CCS1	725667335	MBMZGPWJQWBLCC-WDSKDSINSA-N	217.294	-0.623	50	10	BBGE	
CC1(CO)CN(S(=O)(=O)CCl)C1	849396479	HDIVUYCSPUVMLQ-UHFFFAOYSA-N	213.686	-0.173	50	10	BBGE	
Cc1nnc(NNC(=O)C2CC(C)(O)C2)n1C	856054991	DURDMIYGESPPBQ-UHFFFAOYSA-N	239.279	-0.272	50	10	BBGE	
N#CSCCCNC(=O)C1CS(=O)(=O)C1	868090372	HMCUCBFTULHHBR-UHFFFAOYSA-N	248.329	-0.248	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1	1299923985	YXXQIVYESQIEHV-RXMQYKEDSA-N	243.223	-0.725	50	10	BBGE	
O=C(NNc1nc[nH]n1)C1=CCCCO1	1306853224	OYJUIMSXHZOIIJ-UHFFFAOYSA-N	209.209	-0.058	50	10	BBGE	
Cc1nnc(NNC(=O)CC2OCCO2)n1C	1331794552	LSVDVDRQFMZFKW-UHFFFAOYSA-N	241.251	-0.670	50	10	BBGE	
O=C(NNc1ncccn1)c1cnnc(O)c1	1540751386	YLXUYWURXKXJLY-UHFFFAOYSA-N	232.203	-0.271	50	10	BBGE	
COCC(O)(CNC(=O)CCl)COC	1875692816	CUFNCTVQTROGKN-UHFFFAOYSA-N	225.672	-0.635	50	10	BBGE	
NC[C@@H](O)C(=O)NC[C@@H]1C[C@H]1Br	1877361531	LMZCPXIUDQEKLM-KVQBGUIXSA-N	237.097	-0.794	50	10	BBGE	
N[C@@H]1C[C@H]1CNC(=O)/C=C/C(=O)Cl	1877519783	IDRBSJNLZSSHLA-AUGZYCGMSA-N	202.641	-0.229	50	10	BBGE	
CO[C@@H](C)COCC(F)(F)C(=O)NN	1886079132	LTMJJVUVIUQWDT-YFKPBYRVSA-N	212.196	-0.337	50	10	BBGE	
C[C@]1(O)CON(C(=O)C=CC(=O)Cl)C1	1893411507	YGMCFEMMQHSTSD-MRVPVSSYSA-N	219.624	-0.167	50	10	BBGE	
C=C(CSc1nnc(C)n1C)B(O)O	1895192095	XWPQSDFXULHRTR-UHFFFAOYSA-N	213.071	-0.216	50	10	BBGE	
CC1(C)OC[C@@H](NS(=O)(=O)CCl)[C@@H]1O	1897073678	UMBSYSICRDOLCK-RITPCOANSA-N	243.712	-0.360	50	10	BBGE	
C[C@H](O)CN(C)CCC[C@H]1C[C@H]1C(=O)NN	1900505798	HVLXUDRWJBXEHO-LPEHRKFASA-N	229.324	-0.295	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](C)N1	1901376997	IVPWVLMGRMNMGA-JGVFFNPUSA-N	249.336	-0.562	50	10	BBGE	
Cc1ccnc(CN2CC[C@H](B(O)O)C2)n1	1902529407	OHTUHQHHWTZNKG-VIFPVBQESA-N	221.069	-0.166	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](O)CC12CC2	1906937966	JOTODYIVDROAJC-LPEHRKFASA-N	239.319	-0.398	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1CCOCC(=O)NN	1907082004	YEKUQRJBQDPYBM-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
CO[C@@H]1COC[C@H]1N(C)[C@@H](C)CCC(=O)NN	1907703679	DSVGJOZSVFWZSK-IVZWLZJFSA-N	245.323	-0.509	50	10	BBGE	
C=CC1(O)CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	1909949952	QFQDTTSJOSNXQV-VHSXEESVSA-N	239.319	-0.375	50	10	BBGE	
C[C@H]1COc2ccccc2[C@@]1(N)B(O)O	1912278419	YZBFSICQJYRDAF-OIBJUYFYSA-N	207.038	-0.119	50	10	BBGE	
NNC(=O)CN1CC2(CCCC2)C[C@H]1CO	1912754413	RUZYBOYBFOCCIV-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@@H](N=S1(=O)CCOCC1)[C@@H](C)C(=O)NN	1913860915	GKELVYLGDAOXMF-HTQZYQBOSA-N	249.336	-0.501	50	10	BBGE	
CN=C(NC1CC1)SCC(=O)NNC(C)=O	1923986664	LUJLKKUKXKIIPW-UHFFFAOYSA-N	244.320	-0.375	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](O)C1	1927913650	LLXJEQIQYGJTPC-DJLDLDEBSA-N	213.281	-0.931	50	10	BBGE	
O=C(NNCCO)N1C[C@H]2CCC[C@@H]2C1	1929830921	SGQXBLUTWQEOQA-RKDXNWHRSA-N	213.281	-0.075	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(N2CCC2)C1	1932053060	NALJFSAOKOTZBA-SECBINFHSA-N	212.297	-0.855	50	10	BBGE	
NC(=O)[C@@H]1CC[C@@H](NC(=O)NC(=O)CCl)C1	1936943474	UDCLULWMZUCSEV-PHDIDXHHSA-N	247.682	-0.295	50	10	BBGE	
O=C(Cn1ccnn1)N1CCO[C@H](CCl)C1	1937148175	AIDWKFNHFMLPNX-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CC2(C(=O)NN)CC2)CO1	1938247352	RTTOYDGQCCLIJN-DTWKUNHWSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CC1(C(=O)NN)CC1	1938249295	SGJQMVNQSFWBCE-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941094953	QDLAJEGHFMUSHJ-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@H]1CCCO1	1941784943	XRLWQHJPWHITSD-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC1(C)C	1944736191	KUBOFWRHGLQOEQ-IVZWLZJFSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)N1CCc2cc(O)ccc2C1	1947407970	NKUSRSHVCSVOGM-UHFFFAOYSA-N	235.243	-0.733	50	10	BBGE	
CC(C)(C)[C@H](OC[C@H]1COCCO1)C(=O)NN	1948420969	QMGGYZOXXKCVAT-RKDXNWHRSA-N	246.307	-0.177	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@H](O)[C@H](O)C#N	1951361759	XNOSQKKKUHIESI-RQJHMYQMSA-N	216.237	-0.244	50	10	BBGE	
CN(CCOCC(=O)NN)C1(C)CC1	1956703762	VFLYPXAQQQGELO-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
O=C(CCCl)N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1957560339	SEFQZHKZMKTLTE-CTNSIQBBSA-N	233.695	-0.138	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1N1CC(=O)OC(=O)C1	1957890647	AVYMZRMONJSNLP-YUMQZZPRSA-N	212.249	-0.536	50	10	BBGE	
OCCN1CCCN(C[C@H](O)CCl)CC1	1960160159	USEURAJAERCAAL-SNVBAGLBSA-N	236.743	-0.414	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@H](C)C(=O)NN)C2	1960286396	IPGULISWSQGPPI-KHQFGBGNSA-N	213.281	-0.667	50	10	BBGE	
NNC(=O)N1CCO[C@H]([C@H]2CCOC2)C1	1961483647	VUAAIEBCRQYYGI-YUMQZZPRSA-N	215.253	-0.693	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1ccc(B(O)O)cn1	1961674312	BQJLPDWTUFKURN-SFYZADRCSA-N	206.054	-0.394	50	10	BBGE	
OB(O)c1csc(N2CC3(CCC3)C2)n1	1961717570	CEUJZFQLTYJCHR-UHFFFAOYSA-N	224.094	-0.187	50	10	BBGE	
O=Cc1cc(B(O)O)c(F)cc1[N+](=O)[O-]	1974576853	BNFGKUREAYFKRB-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C(=O)NN)nc1	1977298662	ZNECEMYZRFBUKN-UHFFFAOYSA-N	222.248	-0.662	50	10	BBGE	
C[C@H]1C[C@H]1N(CCO)CC1(C(=O)NN)CC1	1979615807	KNDCPJBZBDAYAK-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
N#CCCN(CCC#N)CCCC(=O)NN	1980714686	QKRODPXFCBVYSH-UHFFFAOYSA-N	223.280	-0.114	50	10	BBGE	
CCN(C)[C@@H]1CCCN([C@H](C)C(=O)NN)C1	1981058178	DDKMQMLXDKYAHZ-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCN(C)[C@H]1CCCN([C@H](C)C(=O)NN)C1	1981058181	DDKMQMLXDKYAHZ-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1c1ncc(B(O)O)cn1	1981414017	MXQYGLBMIZTOMV-HTQZYQBOSA-N	221.069	-0.466	50	10	BBGE	
CCCN(OC)c1ncc(C)cc1B(O)O	1981470331	AHIDSCIDVVCKPG-UHFFFAOYSA-N	224.069	-0.152	50	10	BBGE	
OB(O)c1cnc(N2CC(F)(F)C2)c(F)c1	1981473547	ZTEANXVUBJSXBM-UHFFFAOYSA-N	231.970	-0.644	50	10	BBGE	
CO[C@@H]1CCN(CCC(F)(F)C(=O)NN)C1	1984128527	PYKOKPXBITVRNS-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	1985791184	WHNMHYUEMBMEFF-GJMOJQLCSA-N	248.710	-0.302	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)OC[C@@H]1C	1990775568	XFNABPOKPKOFCD-YUMQZZPRSA-N	229.280	-0.737	50	10	BBGE	
O=C(NC1(C(=O)O)CC(CO)C1)[C@H]1C[C@@H]1Cl	1991674640	GKOILYBSHOLCQW-HTYJUZMNSA-N	247.678	-0.044	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CCCNC1=O	1991713853	YDNVGBHVCITPDV-KGGZQZJCSA-N	244.678	-0.050	50	10	BBGE	
CN(CCF)C(=O)c1ccc(B(O)O)cc1	1992836193	KCJAQLNFZUARGS-UHFFFAOYSA-N	225.028	-0.592	50	10	BBGE	
CC(C)CO[C@H]1CCCN(C(=O)C(=O)NN)C1	1996764843	PWDIFGWOFYFCFQ-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1997588963	UIKBRUGIAMBGLS-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)Cc1nc(C)no1	1997739431	BWKWDVJMATYMBE-MRVPVSSYSA-N	241.295	-0.032	50	10	BBGE	
CC[C@H](O)CN(C1CC1)[C@@H](COC)C(=O)NN	2000010442	GBLHENAWXJTQBG-UWVGGRQHSA-N	245.323	-0.773	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C(=O)NC(C)C)C1	2002652085	KLVNBTSZGJWYLE-SECBINFHSA-N	242.323	-0.789	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(c1ncncc1B(O)O)C2	2004912318	RGWGIPNOGDRWND-KCJUWKMLSA-N	233.080	-0.607	50	10	BBGE	
C[C@@H]1CCN(c2ncc(B(O)O)cn2)C[C@@H]1C	2004912321	RHEJAAMLPYNXNC-BDAKNGLRSA-N	235.096	-0.361	50	10	BBGE	
Cc1nc(O[C@H]2CO[C@H](C)C2)ncc1B(O)O	2004935051	UWJIBEZUJQMBCA-HTRCEHHLSA-N	238.052	-0.979	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(O[C@H](C)C2CC2)n1	2004935190	LHPWSEXBNKTJBC-SSDOTTSWSA-N	236.080	-0.049	50	10	BBGE	
CC[C@](C)(COc1ncccc1B(O)O)OC	2004950517	GPIBFOOTNBQWCQ-LLVKDONJSA-N	239.080	-0.045	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1ccc(B(O)O)cn1	2004951719	NXRUEYYALBEUIS-WPRPVWTQSA-N	237.064	-0.435	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](C)C[C@H]2C)n1	2005014421	LKFYDQVXIHOKET-JGVFFNPUSA-N	235.096	-0.300	50	10	BBGE	
C[C@H]1C[C@H]1N(C)Cc1nn(C)cc1C(=O)NN	2005108893	UBMRRVWHTWXCGT-OIBJUYFYSA-N	237.307	-0.136	50	10	BBGE	
Cc1cc(OC[C@H](C)N(C)C)ncc1B(O)O	2006999128	CPAZSFHTOFVVGV-VIFPVBQESA-N	238.096	-0.601	50	10	BBGE	
CN(C)CCOCc1ncccc1C(=O)NN	2007003884	OYIFUFXZIYGODO-UHFFFAOYSA-N	238.291	-0.237	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@H]1C1CC1)C(=O)NN	2014003545	ZVSKNQPPNBTDFU-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCOC(C)(C)C	2019215080	SJAXWBNMHIFIED-UHFFFAOYSA-N	245.323	-0.099	50	10	BBGE	
OB(O)c1ccc(F)cc1COC[C@H]1CCO1	2025715262	VPMRQECNISQSHN-SNVBAGLBSA-N	240.039	-0.189	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@]2(CCOC2)C1	2052492572	UHUWEUFLQYQXNC-GFCCVEGCSA-N	248.091	-0.622	50	10	BBGE	
C[C@@H](CCCl)NS(=O)(=O)N1CC(O)C1	2210089201	DKLHGHJRQUJBCY-LURJTMIESA-N	242.728	-0.485	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCC2)CCO1	2212260273	BWACVLWSPQCPIK-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
C=C[C@H]1CCN(c2ncc(B(O)O)cn2)C1	2212602834	KKEZQQYHGSVPAV-QMMMGPOBSA-N	219.053	-0.831	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)[C@@H](C)O	2212605298	BJMIDGCRSSXZAT-NTSWFWBYSA-N	228.032	-0.918	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H](CF)C2)nc1	2212610414	IJDMIUBRMDLSBM-OTSSQURYSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCCOC2)nc1	2212613668	YFFPJAOXFJCDPK-VIFPVBQESA-N	222.053	-0.648	50	10	BBGE	
CC(C)[C@@H](N)CNc1ncccc1B(O)O	2212615479	PTPGIXVVSPLXBO-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
C#CC#CC(C)(C)Nc1cc(B(O)O)ccn1	2217175444	IYXPLTDGBAOWOT-UHFFFAOYSA-N	228.060	-0.412	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H](O)CC2)nc1	2217176937	CEBHACNFHFQYFG-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C(F)(F)C23CC3)nc1	2217180273	GHWWEPHMQBDCNJ-QMMMGPOBSA-N	240.018	-0.029	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H](N)C2)cc1B(O)O	2217182985	HZMWDFDVJAKULI-DTWKUNHWSA-N	235.096	-0.638	50	10	BBGE	
C#CC[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2217194770	CIXGTVRVXOSMQC-SNVBAGLBSA-N	230.076	-0.389	50	10	BBGE	
NCC1CCN(Cc2cccc(B(O)O)c2)CC1	2220062282	GOMLMJGMOZEMHO-UHFFFAOYSA-N	248.135	-0.463	50	10	BBGE	
Cc1c(Cn2cc(B(O)O)cn2)cnn1C1CC1	2221096645	LKWVKVSMFAFBFC-UHFFFAOYSA-N	246.079	-0.549	50	10	BBGE	
C=C[C@@]1(Oc2cc(B(O)O)c(C)cn2)CCNC1	2223621463	VBGRLXKAHWWGSD-GFCCVEGCSA-N	248.091	-0.633	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ccnn1C	2223633677	ZVFPHSPVZBWVQU-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
Cc1cnc(N2CC[C@](C)(C#N)C2)cc1B(O)O	2223641934	XKKQEWJCZZAAOE-GFCCVEGCSA-N	245.091	-0.190	50	10	BBGE	
C[C@@H]1CCCC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2223666992	PMCKCUSRUWUKGH-ZJUUUORDSA-N	249.123	-0.184	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C(F)F	2241472999	BGAJUNFOGWJKLW-BYPYZUCNSA-N	206.985	-0.237	50	10	BBGE	
CNCC[C@@H](C)N(C)C(=O)C1(B(O)O)CC1	2243363101	BCQSSEONCYTRIU-MRVPVSSYSA-N	228.101	-0.550	50	10	BBGE	
O=C(N1CCCC[C@H](O)C1)C1(B(O)O)CC1	2243368534	JFCOBHNVSRMVQW-QMMMGPOBSA-N	227.069	-0.633	50	10	BBGE	
O=C(NC1CCNCC1)C1CC(B(O)O)C1	2243397283	YIYAQXMZITYVIV-UHFFFAOYSA-N	226.085	-0.892	50	10	BBGE	
Cc1cnc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2243397305	YSIIFMRNLXXPTP-BQBZGAKWSA-N	221.025	-0.414	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@H]1CF	2243397650	GQNFPPSQFVZMHL-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
CC(C)N(C)C(=O)c1cncc(B(O)O)c1	2243407405	RDZUPECERUSMHF-UHFFFAOYSA-N	222.053	-0.758	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccsc2B(O)O)[C@H]1C	2243408036	FVJWNMONCFBEHU-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
CC[C@H](Cl)C(=O)NCc1noc(C(N)=O)n1	2244121542	RNVGLZJRVQEZBE-BYPYZUCNSA-N	246.654	-0.198	50	10	BBGE	
O=C(C#CB(O)O)NCCCc1ccccn1	2247741359	YKIZTJSKDUHKGC-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
COc1ccc(C)cc1NC(=O)C#CB(O)O	2247742341	NPBJLQMTAKYAPN-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
CCN(OC)C(=O)c1ccc(F)cc1B(O)O	2247752164	JZBVTXVNIQWTAP-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H]1CCC[C@@H]1O	2247757722	RFVDNJKHMASOHE-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)[C@H]1C[C@H](B(O)O)C1	2247789727	ARBMBNJQEHLQBR-AATLWQCWSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@@H]1O	2247798586	VPTUSJCGIWTTEL-NFTFJBJSSA-N	241.096	-0.531	50	10	BBGE	
CCN[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247803397	AVQFIUHHBJUAKV-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@H]1CCC[C@H]1O)C1(B(O)O)CCC1	2247853072	FYLCESBAZQRJBJ-RKDXNWHRSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247860548	YAWOUQWUMGWVKK-MQIGXGKASA-N	240.112	-0.567	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CC2)CC(F)(F)C1	2247871777	HONYPCYXRIINRV-ZCFIWIBFSA-N	248.038	-0.812	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)[C@@H]1C[C@H]1B(O)O	2247899262	LXQUNPTXSODSLM-IGORNWKESA-N	239.080	-0.467	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)ccc2O)C1	2248034260	YUVDGSJSWJNSHU-UHFFFAOYSA-N	233.032	-0.916	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1ncc(B(O)O)cc1F	2248241311	CMEDGNPKSCMEAY-ZCFIWIBFSA-N	240.043	-0.115	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ccncc1B(O)O	2255449228	LGNIQXNSECVKER-MBTKJCJQSA-N	248.091	-0.607	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21	2255459282	DRJORRUNUNKYRA-SANCVJEGSA-N	249.075	-0.974	50	10	BBGE	
Cc1cc(NC(=O)c2ccc(B(O)O)o2)ncn1	2255472769	HTEGOQAGZXXVGQ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NCC1[C@H]2CC[C@H]12	2255504815	NBYSTHTXJMCULV-IUCAKERBSA-N	248.091	-0.909	50	10	BBGE	
C#CC#CCNC(=O)c1ccc(B(O)O)c(C)c1	2255512841	GWJKGKOQLLTTQI-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1CC[C@H]1C1CCC1	2255554647	OYUZTQOOKGDEOF-VIFPVBQESA-N	249.079	-0.896	50	10	BBGE	
Cc1cc(C(=O)Nc2cncnc2)oc1B(O)O	2255573999	UYZAMPBJQQBWGU-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
Cc1cc(C(=O)Nc2cccnc2)oc1B(O)O	2255574100	WMPUTTBAWKXRFG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@H]2C1	2255721130	YXCDGOUPZDQHDV-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2B(O)O)c1	2255769609	PVKLXBDIWSUWHO-BDAKNGLRSA-N	248.047	-0.413	50	10	BBGE	
CCC1CN(C(=O)c2ncc(C)cc2B(O)O)C1	2255789636	KFPCBDOYKBSGSQ-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(NC[C@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1C[C@H]1B(O)O	2298369348	RKMJTIIISHWKRJ-JVXBZQIQSA-N	235.092	-0.133	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[C@@H]1B(O)O	2298369829	GVTFXOFSXAIMPS-MBXMOIHESA-N	239.080	-0.467	50	10	BBGE	
CC[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298371893	YWOXCLBWZJBMSI-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
C[C@]1(N)CN(C(=O)C2(B(O)O)CC2)CC1(F)F	2299950507	MMMMTFKQSKUTPC-ZETCQYMHSA-N	248.038	-0.812	50	10	BBGE	
C[C@H](O)C1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300365944	CPUCZMOBXPETOD-QXEWZRGKSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(CO)CCN1CCC[C@H]1C[C@@H]1C(=O)NN	2300385666	XDXNHYWXBBGWCF-JBLDHEPKSA-N	241.335	-0.151	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N(CCF)CCF	2301662322	NVCLGMWUPYKGMX-UHFFFAOYSA-N	246.022	-0.924	50	10	BBGE	
COC[C@@H](O)CN(C)[C@@H](C)CCCC(=O)NN	2302061925	XBSNMDRSFYDRRW-UWVGGRQHSA-N	247.339	-0.526	50	10	BBGE	
CC[C@@](C)(CN1CC(=O)N(C)C1=O)C(=O)NN	2303441410	XQLJIZKELSEWLG-JTQLQIEISA-N	242.279	-0.713	50	10	BBGE	
CC1(C)C[C@@H](Oc2cncc(B(O)O)c2)CO1	2307747955	UREJZQUWLKPVBD-SNVBAGLBSA-N	237.064	-0.292	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1ccc(B(O)O)cc1C#N	2317168331	SXSYMQSDVCYYDA-IUCAKERBSA-N	248.091	-0.257	50	10	BBGE	
C=CC[C@@H](N)COc1ccc(C=O)c(B(O)O)c1	2317351070	BZTFBSBBNUATGO-SNVBAGLBSA-N	249.075	-0.539	50	10	BBGE	
CS/C(=N\CC(=O)O)NNC(C)=O	34451439	IZYCWYUJELJTPQ-UHFFFAOYSA-N	205.239	-0.569	50	10	BBGE	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)NN	42440725	HCNVQKBRVNULOT-NTSWFWBYSA-N	200.242	-0.845	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cnn(C)c1	93072173	YISSKUJQVOPJQL-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
CCN(CC(=O)NC(C)C)C[C@H](C)C(=O)NN	110591343	UNDYZJYDYMUROT-VIFPVBQESA-N	244.339	-0.541	50	10	BBGE	
C[C@@H]1C(=O)N(CCCC(=O)NN)C(=O)[C@H]1C	117871771	WJHRYHVZINIOAS-BQBZGAKWSA-N	227.264	-0.603	50	10	BBGE	
O=C(Br)c1cc(=O)[nH]c(=O)[nH]1	141016924	HYKVQUMKIOZNAJ-UHFFFAOYSA-N	218.994	-0.402	50	10	BBGE	
COC(=O)NNC(=O)[C@@]1(C)CCCO1	158791131	BBICGFZRGYMABX-MRVPVSSYSA-N	202.210	-0.057	50	10	BBGE	
COCCNC(=O)Cn1cnnc1CCl	161545735	ZCKOIKOBPLMTJE-UHFFFAOYSA-N	232.671	-0.221	50	10	BBGE	
CNCC(=O)NNC(=O)c1ncccc1C	193136760	XFFCWRQTKULNDY-UHFFFAOYSA-N	222.248	-0.630	50	10	BBGE	
COc1cc(B(O)O)cc(OC)c1C#N	197572813	HGTCYNMUAZGNKT-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
C#CCOC(=O)Nc1cccc(B(O)O)c1	217569785	LWWBHGKNVXKPCI-UHFFFAOYSA-N	219.005	-0.452	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)CCO1	223065635	CFVGTCLRENNQKG-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
CC(=O)NCCNS(=O)(=O)CCCl	232296168	MEDOIVVMTVNQBN-UHFFFAOYSA-N	228.701	-0.719	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H](C)C1	232418891	GNAPPGGCNUXIGZ-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)CC[C@@H](NC(=O)NN(C)C)C(=O)O	234525122	QITDTPRIEJOUOU-ZCFIWIBFSA-N	247.251	-0.831	50	10	BBGE	
O=C(F)[C@H]1C[C@H](O)CN1C(=O)CCl	238710906	FNTAOADEPLGZID-CRCLSJGQSA-N	209.604	-0.317	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCO1	251568020	TVQUSTHOFCKWCH-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252647161	TWRXNNRGUVUCIX-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](CO)[C@H]1C	385586636	AFHDHVPIKQRJQL-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CC(C)N(CC(N)=O)[C@@H](C(=O)NN)C(C)(C)C	396045619	VYKBATCIDDLURW-VIFPVBQESA-N	244.339	-0.413	50	10	BBGE	
CC[C@H](O)[C@H](N)c1ccc(B(O)O)cc1F	396899067	LARLTGSJCKFEDX-VHSXEESVSA-N	227.044	-0.724	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cnns1	400026333	ONRNNMQBVMWBKF-RXMQYKEDSA-N	215.282	-0.652	50	10	BBGE	
COCC1(CC(=O)NNC(N)=O)CC1	401516570	LGSVCPBPRAASRN-UHFFFAOYSA-N	201.226	-0.497	50	10	BBGE	
CCc1cnn(C[C@@H]2CC[C@H](C(=O)NN)O2)c1	402038624	HTXQQWUYWMFBNK-VHSXEESVSA-N	238.291	-0.017	50	10	BBGE	
CCc1cnn([C@@H](COC)C(=O)NN)c1	402055691	VGODBNBPSBABRH-QMMMGPOBSA-N	212.253	-0.377	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(CCO)C[C@@H](C)O	695062815	RLNUNXCHEGRFIO-ZJUUUORDSA-N	247.339	-0.934	50	10	BBGE	
CCOC[C@@H]1CCCN1C(=O)C(=O)NN	696569743	JAIBELQXPVBQRS-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
Cn1nnnc1CN[C@H]1COC[C@@H]1Cl	697786429	VOVWTURRLCBYNH-WDSKDSINSA-N	217.660	-0.694	50	10	BBGE	
Cn1ncc(CN2[C@H]3CC[C@H]2C(=O)OC3=O)n1	703410822	DXNVJQKGTFOJFC-YUMQZZPRSA-N	236.231	-0.769	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](C)[C@H]1CO	711584043	YYJBLZVHBIECNA-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
COCCN(C1CCOCC1)[C@@H](C)C(=O)NN	716493342	WEUWGPKMLIKOAM-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC[C@H](O)C(F)F	717275374	BNVUGBSRVBNLLM-QYNIQEEDSA-N	249.213	-0.081	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718168773	ZFQXMBIXINXMGO-OJOKCITNSA-N	211.265	-0.915	50	10	BBGE	
CCCC(=O)NCc1cnc(B(O)O)s1	718864670	CHYKBSTZAAVVMN-UHFFFAOYSA-N	228.082	-0.761	50	10	BBGE	
C[C@@H](C(=O)NN)N1C2CCC1(CO)CC2	723022608	PTALBVLGAWXHMQ-JEUQWKINSA-N	213.281	-0.646	50	10	BBGE	
C/C(=C/C(=O)NNC(=O)c1cnn[nH]1)C1CC1	729457176	BATSJSXKAGKJNT-XQRVVYSFSA-N	235.247	-0.078	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C(C)(C)C)nn1	808383395	CGCDZNHKLKAIPY-UHFFFAOYSA-N	225.252	-0.378	50	10	BBGE	
CN1CCC[C@H](C(=O)NN(C)C2CC2)C1=O	819652992	FAQLBAXXJWGHOT-SECBINFHSA-N	225.292	-0.020	50	10	BBGE	
NC(=O)C(=O)NN=C1CCCN2CCCC[C@H]12	848398664	BOXUQCFLFXITTH-SECBINFHSA-N	238.291	-0.408	50	10	BBGE	
O=C(COC1CC1)NNC(=O)NCC1CC1	900386221	NIIARWNTYKGNNG-UHFFFAOYSA-N	227.264	-0.094	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@H]1CCC(=O)NC1	1141855183	GNFIYVFZQFBMPK-RKDXNWHRSA-N	243.307	-0.754	50	10	BBGE	
CCN(CC)CC(=O)NNC(=O)c1ncon1	1157783278	MDACCOXVHQAAJY-UHFFFAOYSA-N	241.251	-0.828	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NNC(=O)N(C)C	1320800447	OTFAAKSUUSJWJZ-JGVFFNPUSA-N	229.280	-0.039	50	10	BBGE	
COc1c(C(=O)NNc2ncccn2)cnn1C	1328594015	DPOXSXGPTWEHJY-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1Cc2cccnc2C1	1346304782	CJUXQBKKAOPYBZ-MRVPVSSYSA-N	234.259	-0.243	50	10	BBGE	
CC(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1	1539518099	LOKMPVAGPYSAEB-QMMMGPOBSA-N	248.304	-0.631	50	10	BBGE	
CNC(=O)NNC(=O)C1=CS(=O)(=O)CCC1	1543663353	GJFBXXGSANYKKC-UHFFFAOYSA-N	247.276	-0.961	50	10	BBGE	
C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)C	1631398451	HSUDSDHTFZIDKH-SFYZADRCSA-N	227.264	-0.120	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccc(O)nc2)n1C	1641057461	UDIGSKYVEFNNID-UHFFFAOYSA-N	248.246	-0.019	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@@H]2Br)COC1	1877404928	QQJXYXHQGCEKMU-RITPCOANSA-N	249.108	-0.386	50	10	BBGE	
CN(CC(=O)NN)C[C@H](F)C(F)(F)F	1885375635	FHUMSHWCBRTGFG-BYPYZUCNSA-N	217.166	-0.192	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)[C@@H]1C	1885871587	GTNXHQZINKCUFJ-BIIVOSGPSA-N	201.270	-0.934	50	10	BBGE	
C#CCNC(=O)CNC(=O)[C@H](Cl)CC	1887694907	ULJFGUZZXZOAPB-SSDOTTSWSA-N	216.668	-0.131	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@@H]1CCN1C	1888042796	KTAXESKKKNPTGT-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CN(NC(=O)CCS)S(C)(=O)=O	1888554120	HQMLUHWOXHWPRA-UHFFFAOYSA-N	212.296	-0.771	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCCCO)C1	1891517931	VCHJETZNIVZQSS-SECBINFHSA-N	201.075	-0.302	50	10	BBGE	
CC[C@@H](O)CN1CC[C@@](C)(B(O)O)C1	1891586365	SENYLLYCXJNISP-RKDXNWHRSA-N	201.075	-0.304	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCCOC1CNC1	1900378138	FZHCMSOPEJJLBJ-NSCUHMNNSA-N	246.694	-0.197	50	10	BBGE	
CN(CCF)c1ccc(C=O)c(B(O)O)c1	1901237315	HXJSHHAJRRRPJV-UHFFFAOYSA-N	225.028	-0.415	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCCC(=O)NN)C[C@H]1O	1901765092	UOQKFDOJKURYLM-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1[C@H](CO)C[C@@H]2CCC[C@@H]21	1906310075	TXPTZGRCWQTFGL-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@@H]2[C@H]1CO	1910399578	AONHKZXFZFQREJ-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
C[C@H](CN1C(=O)[C@H](C)[C@@H](C)C1=O)C(=O)NN	1912214984	BSRFBSOXCIKOBP-FSDSQADBSA-N	227.264	-0.747	50	10	BBGE	
OC[C@@]1(F)CCN(C[C@H](O)CCl)C1	1917140398	HUSBLHHHGFUFMR-HTQZYQBOSA-N	211.664	-0.008	50	10	BBGE	
CC(=O)NCCC(=O)NNC(=O)C(F)(F)F	1923419477	HVAIMJNKIQFDAL-UHFFFAOYSA-N	241.169	-0.778	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2C[C@@H]2C1	1927816330	LMHJTXCDNVOGAO-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
C[C@@H]1CCS[C@@H]1C(=O)NNC(N)=S	1930928330	OETOQCCLKGALFR-UHNVWZDZSA-N	219.335	-0.008	50	10	BBGE	
CN1CC2(C1)CN(C(=O)NC(=O)CCl)C2	1932062187	CQBLVCWATUSLCI-UHFFFAOYSA-N	231.683	-0.291	50	10	BBGE	
Cc1c(N2CC(=O)OC(=O)C2)cnn1C	1932446794	UNNINQNSZJLBFM-UHFFFAOYSA-N	209.205	-0.382	50	10	BBGE	
NNC(=O)CCCOC[C@H]1COCCO1	1933321146	UIEQYVOKMUGTPB-QMMMGPOBSA-N	218.253	-0.812	50	10	BBGE	
CO[C@H](CN(C)C[C@H]1C[C@H]1C(=O)NN)C1CC1	1941085373	LNSPFMWPZIDGQZ-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2NC[C@H]3C[C@H]32)CC1	1947666573	XORPOVHILPIKSS-OPRDCNLKSA-N	235.287	-0.529	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1949270951	LKBVVWGRYJVIIE-HWUMTFDVSA-N	241.335	-0.011	50	10	BBGE	
CNC(=O)OC1CN(C[C@@H](O)CCl)C1	1956260144	GJLNCMYYZXYNPB-LURJTMIESA-N	222.672	-0.374	50	10	BBGE	
CCN(C)C1CN(CCCC(=O)NN)C1	1961180827	PNRHKBIOBJZUMY-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)C1	1961694493	OWMISLZRMRZGQR-MRVPVSSYSA-N	206.054	-0.392	50	10	BBGE	
CCCN(C)c1ncc(B(O)O)c(C)n1	1961705993	MDXUKIZLDYTPKS-UHFFFAOYSA-N	209.058	-0.689	50	10	BBGE	
OB(O)c1cnccc1-n1cc(Cl)cn1	1961710578	RVHCIDSHMQSINX-UHFFFAOYSA-N	223.428	-0.400	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)[C@H]1C[C@H](O)C1	1975305271	ZHJVSVWSNDOMSD-IZLXSQMJSA-N	223.223	-0.933	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C[C@@H](O)CCl)CC[C@H]12	1978817402	YBACRUMIHZATDW-BIIVOSGPSA-N	246.694	-0.819	50	10	BBGE	
CN(CC(=O)NN)C[C@@H](O)C1CCCCC1	1979847758	XESJRGDGBHYPLH-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCC[C@H](O)C1	1980551875	LNRKDLNOOVUDKV-VIFPVBQESA-N	229.280	-1.000	50	10	BBGE	
C[C@H](CCl)N1CCN(c2nnnn2C)CC1	1980586255	JBKSHTAGPQPAJH-MRVPVSSYSA-N	244.730	-0.041	50	10	BBGE	
CN1CCN(CCN[C@H]2COC[C@@H]2Cl)CC1	1980708034	GXPRNXUUSCAKEI-QWRGUYRKSA-N	247.770	-0.170	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2OCCC[C@H]2C1	1980817373	ULDSANRYLWWPMU-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CCOC2)c(F)c1	1981421254	XLYSYRMAERPDGX-SSDOTTSWSA-N	227.000	-0.932	50	10	BBGE	
C[C@H]1COCC(=O)N1CC(C)(C)C(=O)NN	1982045557	YVQGNMYSLXXHQF-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2C[C@H](O)[C@H]1C2	1983568701	WRKWIWOHBRDWEP-QYNIQEEDSA-N	235.234	-0.933	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]1C1(O)CC1	1987341323	SFGVQKAETSAHTQ-VIFPVBQESA-N	227.308	-0.254	50	10	BBGE	
C[C@@H]1CCCN1c1ncc(F)cc1B(O)O	1988002329	VZPLLPUACSDZSO-SSDOTTSWSA-N	224.044	-0.111	50	10	BBGE	
C=C(CN1CCC[C@H](S(C)(=O)=O)C1)B(O)O	1992159780	OJSIHMKCOBJXEX-VIFPVBQESA-N	247.125	-0.936	50	10	BBGE	
N#CC1(O)CCN(C[C@]23CNC[C@H]2C3)CC1	1993203260	VXUDZZPXAJEMHL-MNOVXSKESA-N	221.304	-0.054	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1nc(C)no1	1997734212	ZHUMMPZTPDHSTK-MRVPVSSYSA-N	241.295	-0.032	50	10	BBGE	
CC1(C)C[C@@]1(C)C(=O)N[C@H](CB(O)O)C(=O)O	1998130158	GLKKSSGGFNKASA-LDWIPMOCSA-N	243.068	-0.535	50	10	BBGE	
CN(C)NC(=O)N1[C@H](C(=O)O)COCC1(C)C	2002853642	PYNYSRNTLVPSMG-ZETCQYMHSA-N	245.279	-0.263	50	10	BBGE	
CCC1(N(C)c2ncc(B(O)O)c(C)n2)CC1	2004975271	WQYXOZXQCDNUPC-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
Cc1ccc(B(O)O)c(-n2cc(C)nc2C)n1	2005008255	USPWGNLUFYSIJJ-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@@H](C)C2)n1	2005014088	GGFWNHDTZYKLIW-MRVPVSSYSA-N	235.096	-0.299	50	10	BBGE	
OB(O)c1cnc(N2CCC(F)CC2)c(F)c1	2005018116	OTGVAWPEJSKDDE-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
CC[C@](C)(CN(C)[C@@H](COC)C(=O)NN)OC	2013417760	MRVBOFSFXFOLEK-GXSJLCMTSA-N	247.339	-0.262	50	10	BBGE	
Cc1ccc(B(O)O)c(N2[C@H]3COC[C@H]2C3)n1	2021410172	XJWKIWDJQWNFGX-RKDXNWHRSA-N	234.064	-0.953	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2024087733	ZQUTTXYBJDSTRT-DOLQZWNJSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)Nc1ncccc1B(O)O	2025663403	VDHZGWZZVATJNZ-LHLIQPBNSA-N	238.027	-0.552	50	10	BBGE	
Cc1nc(N(C)[C@@H]2CC[C@@H]3C[C@@H]32)ncc1B(O)O	2052552672	WEWYVEPWYSWSJR-WCABBAIRSA-N	247.107	-0.300	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC1[C@@H]2CCCC[C@@H]12	2058157319	WWOLRTZBLLVQLM-GHMZBOCLSA-N	247.103	-0.036	50	10	BBGE	
CCOc1ccc([N+](=O)[O-])c(B(O)O)c1C	2060018941	FQXHYXHNUCBNTE-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
CCOc1c(B(O)O)ccc(OC)c1F	2060113511	NCCQQFWGBHPBJH-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]3CC[C@@H]3C2)n1	2068129735	PDHYDHPHFQGZPW-VHSXEESVSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cncc(OC[C@]23CCOC[C@H]2C3)c1	2074096429	YQGYOGZADPLNHN-BXKDBHETSA-N	249.075	-0.433	50	10	BBGE	
Cc1nccc(C(=O)N[C@@H]2CCC=C2B(O)O)n1	2076082073	PRBCHYVFNMATOO-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@H]2CO)CCC1	2212264555	AUPYRQCOEGLLGS-VIFPVBQESA-N	225.292	-0.621	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)C(C)(C)CO	2212265229	GDLGOEDMPAKOSH-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@](C)(N)COc1ccc(B(O)O)cn1	2212600928	ZYCODZSXMVMCHQ-SNVBAGLBSA-N	224.069	-0.732	50	10	BBGE	
CC(C)SCCN=c1ncc(B(O)O)c[nH]1	2212602152	ZHIPUZXFTZEMMF-UHFFFAOYSA-N	241.125	-0.868	50	10	BBGE	
C[C@@H]1OCC[C@H]1Nc1ccc(B(O)O)cn1	2212603251	NKZLZHUWIAKJJJ-IONNQARKSA-N	222.053	-0.649	50	10	BBGE	
CC1=CCN(c2nccc(B(O)O)c2F)C1	2212603892	KMWQLEWMDDSELT-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
C[C@H]1[C@H](C)CN1c1nccc(B(O)O)c1F	2212605513	GDGUHHFMXZHPOF-RQJHMYQMSA-N	224.044	-0.255	50	10	BBGE	
C#C[C@H](CC)Nc1cc(B(O)O)c(C)cn1	2212606748	ZGLMXZOXEADGQI-SECBINFHSA-N	218.065	-0.106	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCSC1	2212615207	LJIFJHGTAGATHQ-MRVPVSSYSA-N	238.121	-0.074	50	10	BBGE	
OB(O)c1cncnc1OC[C@H]1C[C@H]2C[C@@H]1C2	2216288354	BAQRXCSCKZDUCD-HRDYMLBCSA-N	234.064	-0.419	50	10	BBGE	
CC[C@H](O)[C@H](CC)Nc1ncc(B(O)O)cn1	2217178607	YGIJPZAWLDYVPW-IUCAKERBSA-N	239.084	-0.882	50	10	BBGE	
C=CCOCCN(C)c1ncccc1B(O)O	2217200177	INCMLPYKVJAVBA-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
OB(O)c1cccnc1NCCc1ccns1	2217205436	YXUNSRHYRSSCTF-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1Nc1ncccc1B(O)O	2223633667	ZSNYXBWTQNQAGK-QWRGUYRKSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H](O)CC23CCC3)c1	2223638190	VGUDSGQKLSFMQE-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)c1	2223662163	SMWSQOZNVRREOD-NGTNGNHKSA-N	243.071	-0.350	50	10	BBGE	
OB(O)c1cccnc1NCCN1CCCCC1	2223672647	UOBIXLYWDHLBIQ-UHFFFAOYSA-N	249.123	-0.341	50	10	BBGE	
C[C@@H](O)[C@@H](C)NS(=O)(=O)N1CC(Cl)C1	2241331558	LQXBUFWRPJGZGO-PHDIDXHHSA-N	242.728	-0.487	50	10	BBGE	
NNC(=O)N[C@H]1CC[C@H](C(N)=O)CC1	2242075767	OJTJNDRRVMNPNF-IZLXSQMJSA-N	200.242	-0.797	50	10	BBGE	
C[C@H](F)CCNC(=O)c1csc(B(O)O)c1	2243362327	PJVXNOZXIUQOON-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)cs1	2243385422	IPLSLTCSXBGHCB-MRVPVSSYSA-N	235.073	-0.724	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392242	SIMUEMCUVOTCNQ-CIUDSAMLSA-N	227.069	-0.513	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)C1CC(B(O)O)C1	2243396465	MLXGQVUHXJTMBG-VBSAPZBBSA-N	227.069	-0.610	50	10	BBGE	
C[C@H]1SCCC[C@@H]1N(C)C(=O)C#CB(O)O	2243399642	OJMDMJGPFRLQFS-BDAKNGLRSA-N	241.121	-0.256	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CCC[C@@H]1C)B(O)O	2243411834	BAMKIKZGEMJADI-IONNQARKSA-N	247.125	-0.337	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]1CCC)B(O)O	2243412899	VWAUHIDHIZQTRM-SECBINFHSA-N	247.125	-0.241	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCOC1	2243413714	MDNSYGKVWPTRMH-AMDVSUOASA-N	227.069	-0.513	50	10	BBGE	
C#CCN(CC#C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416189	IHIKUHIJYOERDR-AOOOYVTPSA-N	219.049	-0.666	50	10	BBGE	
CC=CC(=O)N(C)Cc1ccc(B(O)O)s1	2243685248	PYSGSMFWZFYYNW-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
O=C(NCCC(F)F)c1cc(B(O)O)co1	2244209438	AOZCEMUCQWGNLZ-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
O=C(Nc1ccns1)c1cc(B(O)O)co1	2244213733	JKVSOLSZKYCXPP-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CN1CC(Nc2cc(B(O)O)c(Cl)cn2)C1	2245913432	RHOOFJGWFLIVII-UHFFFAOYSA-N	241.487	-0.859	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1(C)CCC1	2247732785	JIPVGTKONPYMTC-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NCCCC#N	2247738759	VGPAGYWVRNBHEG-UHFFFAOYSA-N	236.036	-0.699	50	10	BBGE	
CO[C@@H]1CCC[C@H](CNC(=O)C#CB(O)O)C1	2247741545	BIWOFJHSVZCWKY-VHSXEESVSA-N	239.080	-0.677	50	10	BBGE	
C[C@H](CNC(=O)c1occc1B(O)O)C(F)F	2247755158	HGIHHHVQRCBSGC-RXMQYKEDSA-N	247.006	-0.410	50	10	BBGE	
CN(CCF)C(=O)c1cccc(F)c1B(O)O	2247759376	PFZOVQPKEMNTFV-UHFFFAOYSA-N	243.018	-0.453	50	10	BBGE	
C[C@H]1CN(C(=O)c2cncc(B(O)O)c2)[C@@H]1C	2247770900	RSWRWFFHXMJTIW-JGVFFNPUSA-N	234.064	-0.758	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CCCO2)C1	2247787778	UNLGPOOXUSTALD-DTORHVGOSA-N	239.080	-0.369	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC12CCNCC2	2247789778	BGXWJLBMTGYMJD-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
C[C@]1(CNC(=O)C2CC(B(O)O)C2)CCCO1	2247796552	AQMCNHCJXAJGTQ-NWGYLPEXSA-N	241.096	-0.075	50	10	BBGE	
CCNCCN(CC)C(=O)C1CC(B(O)O)C1	2247798629	VXXWXJIDXFCCOR-UHFFFAOYSA-N	242.128	-0.303	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2247805323	BHQHTOYRMNAEJQ-IWSPIJDZSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@H](CCO)C1	2247808572	VJOFNEBONHXALF-AEJSXWLSSA-N	241.096	-0.530	50	10	BBGE	
COC[C@H]1C=CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809109	NXCPCUXKFSDFCN-OPRDCNLKSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCCN1C(=O)C#CB(O)O	2247850007	IQMLIRAKRROZNF-ZJUUUORDSA-N	239.080	-0.846	50	10	BBGE	
CCCC[C@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247855239	PAMFUDSQLMTAEH-ZETCQYMHSA-N	239.084	-0.602	50	10	BBGE	
C#C[C@H](NC(=O)c1csc(B(O)O)c1)C1CC1	2247867923	ARWQRPISLLVCGC-VIFPVBQESA-N	249.100	-0.431	50	10	BBGE	
C[C@@H]1CO[C@@H](CNC(=O)C2(B(O)O)CCC2)C1	2247875623	ZMXAFCKBNJVQGI-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC2(CNC2)C1	2247898122	AOCHQINONOWLJD-BDAKNGLRSA-N	238.096	-0.939	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCNC1	2247899225	LONMVTOEDXQTOY-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2249408471	FSNKXUIYYVAZFL-SECBINFHSA-N	233.032	-0.899	50	10	BBGE	
CC1(O)[C@H]2C[C@H]1CN(C(=O)C1(B(O)O)CC1)C2	2249614496	UCZJLPNUDJZHQG-YUMQZZPRSA-N	239.080	-0.777	50	10	BBGE	
CN(Cc1ccnnc1)CC(C)(C)C(=O)NN	2251596905	UMFUTRCOIDEWOZ-UHFFFAOYSA-N	237.307	-0.076	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(O)C(C)(C)C	2252748488	JDOQIHPBGAZYQF-UHFFFAOYSA-N	241.052	-0.102	50	10	BBGE	
C[C@@H]1C[C@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]12	2255448219	BUWWHPWZUJGZNT-KHQFGBGNSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=CC12CCC2	2255462418	VDUXKZSUKFYGBI-UHFFFAOYSA-N	247.059	-0.106	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCC[C@H]1C2	2255467436	NCBQIQJREFGZBA-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
O=C(NC1CCCCC1)c1ncc(B(O)O)cn1	2255470800	KBEHXJOASZOAOU-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
Cc1nn(C)cc1NC(=O)c1occc1B(O)O	2255488692	IPZAJIOBWYYLMB-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)Nc1ncon1	2255514339	HJQSLNDPNCLYHA-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=C(NC[C@]12CCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2255675071	VDMHYHGQWKYMEO-PRHODGIISA-N	248.091	-0.386	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(C)c(B(O)O)c1	2255686107	LZGVMHBQMNFQFH-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)ccc1O)C1CCC1	2256017274	QJOZDKBQORLTDJ-UHFFFAOYSA-N	249.075	-0.304	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1cc(B(O)O)ccc1O	2256018325	LWMNDFDAIVJPFW-OIBJUYFYSA-N	249.075	-0.448	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCSC1=O	2297013273	YEUJEJFNANSUKL-YFKPBYRVSA-N	203.267	-0.076	50	10	BBGE	
CN(C[C@H]1CCOC1)C[C@@H]1CC[C@H]1C(=O)NN	2298164689	ATRUDENBESPVTA-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
CC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368479	HKWHURWCCKARBR-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H](O)CC12CCC2	2298368767	WRZYFRYHVKKHDQ-HRDYMLBCSA-N	239.080	-0.635	50	10	BBGE	
C[C@H]1CC[C@](CO)(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370057	NFLLFDQRRRYNEX-DKIAZLNASA-N	241.096	-0.483	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC[C@H]1CF	2301340534	FVHBZRMEIUSRBF-JTQLQIEISA-N	234.039	-0.214	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2302189461	ZAVXMIMBEYNSHY-VAPHQMJDSA-N	239.080	-0.515	50	10	BBGE	
C=CCNCCOc1cc(B(O)O)c(F)cn1	2303859540	XNURTLQOENZYGS-UHFFFAOYSA-N	240.043	-0.945	50	10	BBGE	
C[C@H](CN(C)C)N(C)C(=O)C1CC(B(O)O)C1	2306864632	CUTFXILYDLYNFA-XNWIYYODSA-N	242.128	-0.352	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CC[C@@H]3CNC[C@@H]32)nc1	2312613524	KDVNIAZVYJNVEL-MIMYLULJSA-N	248.091	-0.862	50	10	BBGE	
CC(C)[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2317150261	CQOJIPQBMZPDOB-GFCCVEGCSA-N	248.091	-0.333	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1C[C@H](N)C1	2317161047	JZJMMPRNOQQJFE-JLIMDTESSA-N	246.075	-0.646	50	10	BBGE	
CCN(C[C@@H](C)N)c1ccc(B(O)O)cc1C#N	2317162289	JBZNWFBYSAKGOC-SECBINFHSA-N	247.107	-0.588	50	10	BBGE	
CCN(CC(=O)OC)C(=O)NC(=O)CCl	42528442	NISUFGFBHJJLOI-UHFFFAOYSA-N	236.655	-0.044	50	10	BBGE	
CN(CCCC(=O)NN)C[C@H]1CCCN1C	86190413	DTGOQOXVVKRDRH-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C[C@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1	86598203	LYTHMTRQNRASRV-ZETCQYMHSA-N	213.281	-0.129	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCC[C@@H]1C(=O)NC	110590122	RHFGVCCETQLTMC-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@H]1C(=O)NCCN1[C@H](C(=O)NN)C(C)C	110689145	KTCKAHIFVSJHRY-IUCAKERBSA-N	242.323	-0.789	50	10	BBGE	
NNC(=O)CCN1CCCCC[C@H]1CO	124390593	BLMJTNLPIUQEKS-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
Cc1cnc([C@H](C)NC(=O)C(=O)NN)s1	126305730	YXBVHGYMCOQCPA-YFKPBYRVSA-N	228.277	-0.381	50	10	BBGE	
OB(O)c1cncc(-c2cncnc2)c1	203613735	RGRLZNAAJBRCDR-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C)CCC(=O)NN	234365917	KIBIPLXCBPWAQM-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
O=CNCCCNC(=O)NCCCl	244031722	STJVICAKNLXSHD-UHFFFAOYSA-N	207.661	-0.340	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)C(F)F	293887721	KXWCSFDVMIZBNS-SCSAIBSYSA-N	208.164	-0.422	50	10	BBGE	
C[C@@H](O)CN(CCO)C[C@@H](O)CCl	308142268	LZHDMXNJZIYMGY-SFYZADRCSA-N	211.689	-0.739	50	10	BBGE	
Cc1ccc(CN2CC(N(C)C)C2)cc1B(O)O	313733520	FGOCJXLFIMATNT-UHFFFAOYSA-N	248.135	-0.579	50	10	BBGE	
C[C@@H]1O[C@@H](CN(C)C)CC1=NNC(N)=O	379714209	JTMUOEXHTKFACI-NKWVEPMBSA-N	214.269	-0.250	50	10	BBGE	
CN(C)CC1CN(Cc2cccc(B(O)O)c2)C1	382289362	MIEWMBYUCUZOQY-UHFFFAOYSA-N	248.135	-0.640	50	10	BBGE	
COCCN(CC(N)=O)C(=O)CCl	388688374	KFRDZTYXCWSUBV-UHFFFAOYSA-N	208.645	-0.815	50	10	BBGE	
CO[C@H](C)CN(C)C[C@H](C)C(=O)NN	389295181	FUXYUIPCCMAJMJ-JGVFFNPUSA-N	203.286	-0.421	50	10	BBGE	
CO[C@@H](C)CN(C)C[C@H](C)C(=O)NN	389295183	FUXYUIPCCMAJMJ-YUMQZZPRSA-N	203.286	-0.421	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1C=O	396069582	MPPRZNNKWKNNMZ-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
O=Cc1sc2ccc(CO)cc2c1B(O)O	396335982	LLRUUWFUPDJLLV-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CC(C)[S@@](=O)Nc1cccc(B(O)O)c1	405055517	LIVPFBJFVWVCOB-OAHLLOKOSA-N	227.094	-0.150	50	10	BBGE	
CCC[S@](=O)Nc1ncc(B(O)O)s1	405071431	IBOZBCAHPQAGSJ-AWEZNQCLSA-N	234.111	-0.692	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1CN(C)C	405148438	BAZVPNBAMWYWAB-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
COC(=O)Nc1cccc(B(O)O)c1F	575600188	HJCUDXSRIAMIEH-UHFFFAOYSA-N	212.973	-0.316	50	10	BBGE	
CO[C@H](C)C(=O)Nc1cccc(B(O)O)c1F	690165068	JYCKQXLBKYBXJS-ZCFIWIBFSA-N	241.027	-0.521	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@@H]1CCO	694917962	BNLUPWFXGFLXBB-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
O=C(NCB(O)O)c1coc(Br)c1	701967502	YIXKTWNDUHGFNF-UHFFFAOYSA-N	247.841	-0.216	50	10	BBGE	
COC[C@@H](CN)N1CCC(O)(C#N)CC1	704090481	RVUSFDQELNGQBH-SECBINFHSA-N	213.281	-0.689	50	10	BBGE	
C[C@H](CN1CC(n2ccnc2)C1)C(=O)NN	707390126	ZMEMVKZZWRNWJQ-MRVPVSSYSA-N	223.280	-0.634	50	10	BBGE	
CCCC1(O)CCN(CCC(=O)NN)CC1	710231096	CPMGLNSEZOWGBI-UHFFFAOYSA-N	229.324	-0.007	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710474877	FHKZWWWQHGLMPP-KYXWUPHJSA-N	227.308	-0.400	50	10	BBGE	
O=C(C1CC1)N1CCc2cc(B(O)O)ccc21	712219339	QVFMAKRTRBWRCU-UHFFFAOYSA-N	231.060	-0.335	50	10	BBGE	
C#CCOC(=O)N1Cc2cccc(B(O)O)c2C1	713283146	HUXPCJJQADAHNX-UHFFFAOYSA-N	245.043	-0.548	50	10	BBGE	
O=C(C[C@H]1CCCC1(F)F)NCB(O)O	714022914	IZPUCMXINWITKP-ZCFIWIBFSA-N	221.012	-0.060	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@@H]1CCCNC1=O	869388825	JLBYYMIZICWRJG-SECBINFHSA-N	248.286	-0.219	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H](O)/C=C/C	887152002	RTNGOIBWVIAPLR-ILFKPUCNSA-N	224.260	-0.126	50	10	BBGE	
C[C@@H](C(=O)NN(C)C(N)=O)[C@H]1CCCO1	907187173	NWXICYDXVFONFP-RNFRBKRXSA-N	215.253	-0.157	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1C[C@H](C)CO1	910001153	OACDJFZVWSJMRX-BQBZGAKWSA-N	231.321	-0.121	50	10	BBGE	
Cc1cnc2cc(C(=O)NNC(=O)CO)ccn12	1183078996	VKFDMWAKXAQXLT-UHFFFAOYSA-N	248.242	-0.604	50	10	BBGE	
CCC(=O)N[C@H](CCSC)C(=O)NN	1328523903	HELDUMRTVLKFQH-ZCFIWIBFSA-N	219.310	-0.376	50	10	BBGE	
Cc1nnc(NNC(=O)CCc2ncc[nH]2)n1C	1330108934	TUOWCCODKPALDZ-UHFFFAOYSA-N	249.278	-0.077	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cccc(O)n1	1442471945	LTASBBHKZHTXBB-UHFFFAOYSA-N	224.220	-0.297	50	10	BBGE	
Cc1ncncc1C(=O)NNC(=O)c1cn[nH]c1	1461836289	GKPODMQNLGRBJH-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1cn[nH]c1	1587135746	VBWOIHGNHYMJCN-CNUIFLNQSA-N	248.242	-0.604	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cncc(O)c1	1641620161	RQMVJNJBPVHZTK-UHFFFAOYSA-N	220.192	-0.338	50	10	BBGE	
NOCC(=O)NC[C@@H]1C[C@H]1Br	1877373184	ZQKRAVGIODAIHZ-CRCLSJGQSA-N	223.070	-0.224	50	10	BBGE	
Cn1nnc(CNC[C@@H]2C[C@@H]2Cl)n1	1883550058	CZPZNDLOGGEEFB-WDSKDSINSA-N	201.661	-0.073	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](N)[C@H](CO)C1	1885199845	DDYPWGPMHMMWPT-XHNCKOQMSA-N	217.700	-0.241	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1CCN1C	1888042795	KTAXESKKKNPTGT-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CCN	1888562064	OKXUQVMLHYQDAE-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
CC(C)[C@H](CO)N(C)CCC(=O)NN	1890317022	PNCIQUHHBKAWIB-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@]1(O)CCNC1	1893109242	XXBKXIPJGZTBBI-ACLDMZEESA-N	218.684	-0.546	50	10	BBGE	
CN1C(=O)C[C@H](NC[C@@H]2C[C@@H]2Cl)C1=O	1893127858	KPEAJBNKSBPPCH-ACZMJKKPSA-N	216.668	-0.039	50	10	BBGE	
O=C(NCC#CB(O)O)c1cccs1	1895238467	HBGOECMJZBVASF-UHFFFAOYSA-N	209.035	-0.507	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3COCC[C@@H]32)n1	1896897033	TUYFZPHWMNHGPB-RQJHMYQMSA-N	240.093	-0.952	50	10	BBGE	
O=C1CN(C[C@@]23CCOC[C@@H]2C3)CC(=O)O1	1897005568	JUKGFIZCPAKWTB-KWQFWETISA-N	225.244	-0.202	50	10	BBGE	
CC[S@@](=O)Nc1ccc(OC)c(B(O)O)c1	1901349891	FRJOGJBJJFLXET-MRXNPFEDSA-N	243.093	-0.530	50	10	BBGE	
CN(NC(=O)[C@@H](N)CC1CCC1)S(C)(=O)=O	1901376583	CJFGFJSNNPYONL-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
C/C(=C/C(=O)N1CC[C@@H](B(O)O)C1)C(=O)O	1902521837	KOWKFCPAUIUUHE-FXXDRWHHSA-N	227.025	-0.907	50	10	BBGE	
CN1CC[C@H](N2CC[C@@](C)(B(O)O)C2)C1=O	1902540122	BNHMAFSCNNNYTO-WCBMZHEXSA-N	226.085	-0.844	50	10	BBGE	
Cn1cnnc1CN1CC[C@@](C)(B(O)O)C1	1902550930	NMWBJWMITAKGHP-SECBINFHSA-N	224.073	-0.746	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H](F)[C@H](O)C2)C1	1908357246	GJIDUYIOUKMLSN-QCLAVDOMSA-N	245.298	-0.593	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCO)CCC(C)C	1924503710	ZRCXQUVSKPJGRI-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
NC(=O)NNC(=O)C[C@@H]1CCCOCC1	1928157762	VNJJUOVOPXCDBL-SSDOTTSWSA-N	215.253	-0.107	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@H]1CCl	1929730757	DVIQUVJMYSHMDX-LURJTMIESA-N	215.644	-0.487	50	10	BBGE	
C[C@@H]1CCS[C@H]1C(=O)NNC(N)=O	1930926553	HLCAYPYBAYTBAX-RFZPGFLSSA-N	203.267	-0.173	50	10	BBGE	
CO[C@@H]1CNC[C@H](C(=O)NN(C)C)C1	1934668636	JSXKXIDNXDHOAG-SFYZADRCSA-N	201.270	-0.796	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@]12CCOC2	1935061855	YZEXUUBADLORMG-CBAPKCEASA-N	200.238	-0.974	50	10	BBGE	
NNC(=O)COCCN1CCC(CF)CC1	1936527728	CQJLEXYHJWCQBU-UHFFFAOYSA-N	233.287	-0.326	50	10	BBGE	
CON1CCC(N(C)CCC(=O)NN)CC1	1937137574	QPTIREWULNQQQP-UHFFFAOYSA-N	230.312	-0.676	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@H]3C(CCl)[C@@H]3C2)n1	1937459858	AJHBCDDYKHYOCH-BQBZGAKWSA-N	241.682	-0.233	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cnsc1	1937713156	FAMGBRAGGJJPRK-QMMMGPOBSA-N	244.320	-0.420	50	10	BBGE	
CN1CC[C@@H](CN(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941082792	IUPYOHBZJYSYIT-OUAUKWLOSA-N	240.351	-0.504	50	10	BBGE	
Cc1cc(=O)n(C[C@@H]2C[C@H]2C(=O)NN)c(C)n1	1941088255	PEPBNGAICLXOCE-DTWKUNHWSA-N	236.275	-0.514	50	10	BBGE	
N#Cc1cccn(C[C@H]2C[C@H]2C(=O)NN)c1=O	1941089994	XZYQPFVWVZEOOQ-RKDXNWHRSA-N	232.243	-0.654	50	10	BBGE	
NNC(=O)CCCCCN1CC(OCCO)C1	1946927761	UFTORZYSCIWMAL-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1C	1947052841	UUCVOAIYFYIGLO-AEJSXWLSSA-N	245.323	-0.652	50	10	BBGE	
NNC(=O)CCCCOC[C@@H]1COCCCO1	1948417091	MNGIKHAUJKWZLY-SNVBAGLBSA-N	246.307	-0.031	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1COC[C@@H]1O	1954504986	AEHXZHAFLQEAQC-ACZMJKKPSA-N	207.657	-0.120	50	10	BBGE	
Cn1nnnc1N1C[C@H](Cl)[C@H]2COC[C@H]21	1958135996	ZOFCTKMNELZJKL-DSYKOEDSSA-N	229.671	-0.348	50	10	BBGE	
N#C[C@@H](Cl)CN1CC[C@@H](N2CC(O)C2)C1	1958217451	JAOKDWJUPUTYPW-RKDXNWHRSA-N	229.711	-0.132	50	10	BBGE	
ClCCCOCCNCCn1cnnn1	1958677776	OMIGDLUMDYHHLB-UHFFFAOYSA-N	233.703	-0.092	50	10	BBGE	
CN(CCCC(=O)NN)Cc1ncon1	1958699556	OGTVUHAFYHFQMR-UHFFFAOYSA-N	213.241	-0.729	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H](O)[C@H](O)[C@@H]1C2	1961927300	UBZKPKFSVCHIIT-ZTKNNBQKSA-N	233.695	-0.044	50	10	BBGE	
C[C@H](COC[C@H]1C[C@H]1C(=O)NN)N(C)C	1974643774	AGBWJVGWOGDFIP-IWSPIJDZSA-N	215.297	-0.421	50	10	BBGE	
Cc1cc(OCS(C)(=O)=O)cc(B(O)O)c1	1980315577	RYGSZPQKGMFRPI-UHFFFAOYSA-N	244.077	-0.944	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@H]2C1	1981409614	PHLLFUBZNMMNHE-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
COC[C@@H](C)Oc1nc(C)ccc1B(O)O	1981425647	IPFNPAMPJHUIFK-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
Cc1nc(N2CC[C@H](C)C2)ncc1B(O)O	1981447574	PNHKGFHNVAZMJY-ZETCQYMHSA-N	221.069	-0.689	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1Cn1ccc(O)cc1=O	1982432995	HGAVNBNKFLYZQH-XPUUQOCRSA-N	223.232	-0.820	50	10	BBGE	
C[C@H](COCCC(=O)NN)N1CCOCC1	1987274101	ODUPWSYOTAPHKZ-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1[C@H]2C[C@@H]1CN(C)C2	1987561649	BHCWODGWJXMPLL-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2COC(=O)C2)CC1	1987583652	UOVMZBQQEAUPEB-VIFPVBQESA-N	224.260	-0.100	50	10	BBGE	
C[C@H](CN1CC[C@](C)(CCO)C1)C(=O)NN	1987907809	RAYXSTXWHSCMAL-MWLCHTKSSA-N	229.324	-0.293	50	10	BBGE	
COC(=O)c1nnn([C@@H](C)C(N)=O)c1CCl	1988544525	JAIRBXGEEXPEBO-BYPYZUCNSA-N	246.654	-0.150	50	10	BBGE	
C=C[C@]1(O)CCN(CC2(C(=O)NN)CC2)C1	1990540215	QCJWDRLXUNVWSA-NSHDSACASA-N	225.292	-0.621	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Cl)NC1(C(=O)O)COC1	1991437865	INOWVSVIGCTDFL-PHDIDXHHSA-N	248.666	-0.234	50	10	BBGE	
CC1(C)[C@H](C(=O)NCC#CB(O)O)C1(F)F	1992154014	UWKVFFUYELDYDZ-LURJTMIESA-N	231.007	-0.591	50	10	BBGE	
Cc1ncnc(OC[C@H]2C[C@@H]2C)c1B(O)O	1993077309	QISCBEFUBRDPAL-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CCC[C@@]2(CO)C1	1997169066	AQIHYJMEPWKTCY-PWSUYJOCSA-N	241.335	-0.149	50	10	BBGE	
Cc1nc(CN(C)[C@H](C)[C@H](C)C(=O)NN)no1	1997752477	NEVOWXNEDCAQHR-NKWVEPMBSA-N	241.295	-0.176	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)[C@@H]1CC=CCC1	1998137574	MVIMZURKGPWLNR-SFYZADRCSA-N	241.052	-0.615	50	10	BBGE	
COCC[C@@H](COC)N(C)C[C@@H](C)C(=O)NN	2001424535	DCUBWSBKSQHDBY-ZJUUUORDSA-N	247.339	-0.404	50	10	BBGE	
Cc1ncnc(OC2CC(F)(F)C2)c1B(O)O	2004925186	NJANTONRFCRLNR-UHFFFAOYSA-N	244.006	-0.359	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	2005804864	CBTAOLRXIBCYQO-CKEKPRIKSA-N	230.076	-0.394	50	10	BBGE	
Cc1ccc(=O)n(CCC(F)(F)C(=O)NN)n1	2008867821	QCUGPICIJPLGAQ-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]1CF	2016766241	PKLSVFVAJSLXDU-XVKPBYJWSA-N	237.039	-0.090	50	10	BBGE	
COC[C@]1(F)CCN(CC(=O)NNC(C)=O)C1	2019210285	NKFGZZUICSTZLG-JTQLQIEISA-N	247.270	-0.786	50	10	BBGE	
CC[C@H]1C[C@@H]1COc1ncnc(C)c1B(O)O	2022579146	KYLXYUMWPVHTAJ-DTWKUNHWSA-N	236.080	-0.110	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	2022762906	LWIBNTCEBFFMAB-LNLATYFQSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1cnc2c(N)ncnc21	2026873673	HNUUMJQPUDXJQS-LURJTMIESA-N	249.278	-0.260	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@H]2C[C@H]21	2052467506	RLOQYLNWDHDCAR-JMJZKYOTSA-N	247.107	-0.219	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)C1CC2(CCC2)C1	2052473586	WNNBWXSLYSJFQJ-UHFFFAOYSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@@]2(C)C3)n1	2052620677	WUIBEDREBAIPSF-CABZTGNLSA-N	247.107	-0.156	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c1B(O)O	2053734090	CSEJYZBWZABQMF-NAKRPEOUSA-N	244.103	-0.086	50	10	BBGE	
NNC(=O)CCN1CC[C@](O)(c2ccccc2)C1	2057335019	GDZYRBQFYVDWPR-CYBMUJFWSA-N	249.314	-0.040	50	10	BBGE	
Cc1nn(C(C)C)cc1C(=O)NCC#CB(O)O	2077484788	ZACGMNVOXJVQMV-UHFFFAOYSA-N	249.079	-0.482	50	10	BBGE	
CC(=O)Nc1nc(B(O)O)ccc1Cl	2210103008	LCNZKONUCNNSLA-UHFFFAOYSA-N	214.417	-0.627	50	10	BBGE	
OB(O)c1csnc1CN1CCC12CCC2	2211140741	POTPRVQSDFXUER-UHFFFAOYSA-N	238.121	-0.049	50	10	BBGE	
CO[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C1	2212600279	BHAKFSJHWSLTSC-KYZUINATSA-N	222.053	-0.649	50	10	BBGE	
C#CCN(CC)c1cc(B(O)O)c(C)cn1	2212604123	MMHVTGHMOPLPDK-UHFFFAOYSA-N	218.065	-0.471	50	10	BBGE	
C#CC1CC(Nc2ncccc2B(O)O)C1	2212610494	JRZKPNDURGUSIG-UHFFFAOYSA-N	216.049	-0.415	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC23CC3)[nH]c1	2212614154	ASVADSBTORMKEX-QMMMGPOBSA-N	218.065	-0.605	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCCC[C@H]21	2212685323	GDIJXWRFENKEDD-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
CN(Cc1ncno1)C[C@H]1CC[C@H]1C(=O)NN	2215773579	BRFGLFZKAAKNSJ-HTQZYQBOSA-N	239.279	-0.483	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CCC2)C[C@@H]1O	2216531432	BTPWMAFEXYDOKS-VIFPVBQESA-N	241.335	-0.151	50	10	BBGE	
CC(C)N(C)CCOc1ncccc1B(O)O	2217168342	XXZUQYOJOFPISF-UHFFFAOYSA-N	238.096	-0.520	50	10	BBGE	
CC(C)(C)OCCNc1ncccc1B(O)O	2217174269	YFSMLWWLILJXNO-UHFFFAOYSA-N	238.096	-0.012	50	10	BBGE	
CC(C)(F)CCCN=c1ncc(B(O)O)c[nH]1	2217175883	ONQDOBKTFOQNMN-UHFFFAOYSA-N	241.075	-0.482	50	10	BBGE	
COC[C@H](C)[C@@H](C)Nc1ccc(B(O)O)cn1	2217177902	OXDKIOPKBSIHHC-DTWKUNHWSA-N	238.096	-0.156	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)c1nccc(B(O)O)c1F	2217179009	DSNSEOKJFABIEI-SFYZADRCSA-N	238.071	-0.007	50	10	BBGE	
CO[C@@H](C)CN(C)c1nccc(B(O)O)c1F	2217180997	MVMIJJKKDWFGRU-ZETCQYMHSA-N	242.059	-0.628	50	10	BBGE	
C[C@@H](N)C1(COc2ccc(B(O)O)cn2)CC1	2217188963	WJIZVKDXYPHNDF-MRVPVSSYSA-N	236.080	-0.732	50	10	BBGE	
C#C[C@H]1CCCN(c2ncccc2B(O)O)C1	2217198141	XEFJJMAXOAELCJ-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
O=c1ncc(B(O)O)cn1CCC1(F)CCC1	2217410919	MYBAQTZYINEWKG-UHFFFAOYSA-N	240.043	-0.795	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C[C@@H](C)N1	2220074414	UZXWLEMOHJDOKU-PHIMTYICSA-N	248.135	-0.451	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2220795158	KSQRTUVGWTWGTD-FBIMIBRVSA-N	248.091	-0.483	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cn(C)nn1	2223636307	IGFMICIHUXBPSD-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2CNC[C@@H]2C1	2223636925	NJNLGZDOHAWPRY-ILWJIGKKSA-N	247.107	-0.829	50	10	BBGE	
N[C@@H]1C[C@H](COc2cc(B(O)O)ccn2)[C@@H]2C[C@@H]12	2223665045	BLZKELBSXXKUSQ-APHKKCJPSA-N	248.091	-0.877	50	10	BBGE	
CC1(C)[C@H](CN)CCN1c1ccc(B(O)O)cn1	2223670288	VNIHBEXLFFREON-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
COC(=O)c1sc(C)c(B(O)O)c1C	2241494145	UXEHRNVEGXLUEK-UHFFFAOYSA-N	214.051	-0.169	50	10	BBGE	
O=C1C[C@H](N[C@H]2C[C@H](Cl)C2)C(=O)N1	2241671054	UAYWFDCDZQJWSG-ZLUOBGJFSA-N	202.641	-0.239	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(O)(CCO)C1	2241809128	SVRLTUMAQPLEDV-SSDOTTSWSA-N	204.657	-0.454	50	10	BBGE	
CCO[C@]1(CNC(=O)NN)CCOC1	2241917216	QTLRYZDSELSWIQ-QMMMGPOBSA-N	203.242	-0.645	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1csc(B(O)O)c1	2243361697	FVKWRBZOCUETSD-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CCCONC(=O)c1nc(C)sc1B(O)O	2243362266	ONCPAOYYWSCVSQ-UHFFFAOYSA-N	244.081	-0.797	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1NC(=O)C#CB(O)O	2243362894	XXEFBNWJBHGCON-KYXWUPHJSA-N	221.065	-0.447	50	10	BBGE	
CC[C@@]1(O)CCN(C(=O)C2(B(O)O)CC2)C1	2243364319	VFEYFLBDAUTGAW-SECBINFHSA-N	227.069	-0.633	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CCCCN1	2243374902	LSWLTQOTSPTRJG-UHFFFAOYSA-N	240.093	-0.832	50	10	BBGE	
CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243382244	MHSHTTYHBANYSD-HLTSFMKQSA-N	228.101	-0.694	50	10	BBGE	
CSC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2243410105	VOAZZOXDBJHKSU-ZCFIWIBFSA-N	243.093	-0.559	50	10	BBGE	
O=C(NC[C@H]1C[C@H](O)C1)C1(B(O)O)CCC1	2243411312	RHKYQBQZEWBFLV-ZKCHVHJHSA-N	227.069	-0.729	50	10	BBGE	
CCNCCN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2243427174	RHNZZECBJYPPBJ-KYZUINATSA-N	228.101	-0.693	50	10	BBGE	
CON(CC1CC1)c1ncccc1B(O)O	2245117175	RPANEVSGHCADJF-UHFFFAOYSA-N	222.053	-0.461	50	10	BBGE	
Cc1cccnc1CCNC(=O)C#CB(O)O	2247742297	MZZHFWAYPNMACY-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
NCC[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247755882	LMDRYHHYRVVNQL-VIFPVBQESA-N	240.112	-0.419	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@@H]1CCC[C@@H]1O	2247757720	RFVDNJKHMASOHE-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
O=C(N(C1CCC1)C1COC1)C1(B(O)O)CC1	2247759221	YXNWFCOMGUZZHA-UHFFFAOYSA-N	239.080	-0.227	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ncccc1B(O)O	2247769946	MKEJNUDNHYRRQA-QMMMGPOBSA-N	236.080	-0.320	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1c[nH]nc1B(O)O	2247785942	SSPXWSQHDILIFO-XVKPBYJWSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)[C@H]1C[C@H](B(O)O)C1	2247798500	UUKILEMTJOQXEP-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
O=C(Nc1nnc(C2CC2)o1)[C@H]1C[C@@H]1B(O)O	2247804905	IREXWZVOAGJZNS-WDSKDSINSA-N	237.024	-0.252	50	10	BBGE	
NC1[C@H]2C[C@H]1CN(C(=O)C1CC(B(O)O)C1)C2	2247810309	WEOGLBRPRGQGCF-QXNPHUFVSA-N	238.096	-0.955	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCN[C@H]21)C1(B(O)O)CCC1	2247853856	SOTVPCOSUIXJTK-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
COc1ncc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247858149	BCBOBELWIMWATH-BQBZGAKWSA-N	237.024	-0.713	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H](C)CN(C)C	2247894172	DADRNJROIWNOMQ-BBBLOLIVSA-N	242.128	-0.352	50	10	BBGE	
C[C@@H](CCCO)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894612	IXMDZGYADFLIKJ-LPEHRKFASA-N	243.112	-0.236	50	10	BBGE	
CC[C@H](C)N(C)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247895805	VLVKLZABOOZUHK-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CN	2247899089	KHGKZTIMHMKHML-ZYUZMQFOSA-N	240.112	-0.707	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2247899278	MALJOPLIJQBCBX-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247899573	OHYQUNJHTGNFSG-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)CCO[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247900733	ZDNXWPVONGAGQF-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1CNC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247906597	YSXBTCOZOCPTRS-AXTSPUMRSA-N	240.112	-0.789	50	10	BBGE	
O=C(O)CC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2248586883	IMXRDNUQCMSNCF-RLXKETGRSA-N	241.052	-0.781	50	10	BBGE	
Cc1nc(O[C@H]2C=CCOC2)ccc1B(O)O	2249275710	UXVGHSCXMGTREC-VIFPVBQESA-N	235.048	-0.596	50	10	BBGE	
C[C@@]1(CN2CCC(B(O)O)CC2)COCCO1	2249359917	ZNDJBYCYAPBFNF-LLVKDONJSA-N	243.112	-0.269	50	10	BBGE	
Cc1nc(C(=O)NCCC#CB(O)O)c(C)o1	2249998624	LFMHGHVMGJAMPD-UHFFFAOYSA-N	236.036	-0.573	50	10	BBGE	
OB(O)c1cnccc1OCC12CC(CO1)C2	2251237097	FKNAHJKWDOSSKY-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2255517166	TYETWOKNQJHGHD-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
O=C(NC[C@@H]1C=CCC1)c1ccncc1B(O)O	2255731333	DKDBHBZQONAZSG-SECBINFHSA-N	246.075	-0.543	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cc(B(O)O)n[nH]3)[C@H]1C2	2255764256	ZABWBGYYYPIBKC-OPVBNTEQSA-N	249.079	-0.992	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ncc(B(O)O)cn1	2255781333	LZASGPNTTGHWFF-KCJUWKMLSA-N	249.079	-0.925	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1O	2256017089	PBOQNTGSESFEMB-VIFPVBQESA-N	247.059	-0.786	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@H]2NCC[C@H]2C1	2298376192	MTCXIMDYIDFDFL-SGIHWFKDSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376467	XWQQCPZZIUJVGG-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2CC[C@H]1C[C@H]2O	2300146683	KQRABAGIZLQFGB-MQIGXGKASA-N	239.080	-0.779	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCOCCO1	2300376455	YMTLWRAWIPFVCC-ZJUUUORDSA-N	243.307	-0.344	50	10	BBGE	
CN[C@@H]1CCCN(CC(=O)NNC(C)=O)CC1	2301843992	NGRXJTLCJSVBPD-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(CO)c(F)c1	2302851117	ZMWMDWMSWQSRJS-UHFFFAOYSA-N	236.995	-0.728	50	10	BBGE	
C[C@@]1(CN2CC[C@](C)(B(O)O)C2)COCCO1	2303157039	FQEZELOYQWKPCI-WDEREUQCSA-N	243.112	-0.269	50	10	BBGE	
CC[C@](C)(CN(C)CCNC(C)=O)C(=O)NN	2303427472	YTYPXXQBAGQRIJ-LLVKDONJSA-N	244.339	-0.540	50	10	BBGE	
CC[C@H](CO)N(C)c1cc(B(O)O)c(F)cn1	2303847432	JCGIREKUPKYEJP-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21	2312848031	GOLNEIAXPZAQRD-VLLVSFFDSA-N	247.103	-0.105	50	10	BBGE	
CC[C@@](C)(CO)Nc1ccc(B(O)O)cc1C#N	2317164467	AAXGBDPONHQGHK-LBPRGKRZSA-N	248.091	-0.189	50	10	BBGE	
N[C@H]1CC[C@@H](Oc2ccc(C=O)c(B(O)O)c2)C1	2317313058	QSUDENFHSSAHAR-VHSXEESVSA-N	249.075	-0.563	50	10	BBGE	
C[C@]1(Cn2cccc(B(O)O)c2=O)CC=CCO1	2317476739	NVURTJMLQROXQK-GFCCVEGCSA-N	249.075	-0.737	50	10	BBGE	
Cn1c(=O)cnn(CCCCCl)c1=O	21993274	ZVQJGCWRNIVFKV-UHFFFAOYSA-N	217.656	-0.039	50	10	BBGE	
COc1ccc(C(=O)NNC(=O)CN)cc1	49819122	QVHOQPGJAHZYLO-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
CCN1CCN(C(=O)CCCC(=O)NN)CC1	58847434	FKTMGOZEEKVVOA-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
NNC(=O)CCCC(=O)NCc1cccnc1	58850826	MUWLCCJBNFPSOU-UHFFFAOYSA-N	236.275	-0.142	50	10	BBGE	
COC[C@H](C)OC[C@H]1CC[C@H](C(=O)NN)O1	69758193	XTIWTFLPUBBWIZ-DJLDLDEBSA-N	232.280	-0.425	50	10	BBGE	
O=CC1=C2NC=C(C(=O)O)C(=O)N2CCC1	105624212	AWLJEBLFFMNRMK-UHFFFAOYSA-N	222.200	-0.409	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN(C2CC2)CC1	110597196	OEGGHWJVVAHXED-NSHDSACASA-N	240.351	-0.219	50	10	BBGE	
O=C(NCCCCl)C(=O)N1CCNCC1	170319243	VHGJWBRDZIFYEV-UHFFFAOYSA-N	233.699	-0.837	50	10	BBGE	
COC[C@@H](CO)NC(=O)[C@@H](C)Br	229037256	UPFFGDXIORKNFJ-PHDIDXHHSA-N	240.097	-0.107	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]1CCCO	232419380	XLFQKRKDMMODPC-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H](CO)N(C)Cc1cccc(C(=O)NN)n1	235137218	DZSGVRJHLVBSDH-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
C[C@@]1(N2CC(=O)OC(=O)C2)CCCOC1	235400728	MHAILRIYXZFNNW-SNVBAGLBSA-N	213.233	-0.059	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)N(CC)CB(O)O	238265934	IBTVIBUTSRESOI-YUMQZZPRSA-N	216.090	-0.780	50	10	BBGE	
COc1c(B(O)O)ccc2cnccc12	238436996	AAYRIZVUVOXSRB-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
N#CC(C#N)=Cc1nn[nH]c1NC(N)=S	238576184	NLWNFIVNVXRFKA-UHFFFAOYSA-N	219.233	-0.109	50	10	BBGE	
N#CC1=CC(CNC2CC2)=NS1(=O)=O	260046647	GRKQLOMRIVHXKX-UHFFFAOYSA-N	211.246	-0.070	50	10	BBGE	
N#C[C@H](O)c1ccccc1N1CCNC(=O)C1=O	260256942	BSBOPKKLQQXIKT-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
CO[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1OC	300046176	RAMVBBHTAXYTSY-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
CS(=O)(=O)CCN1CCOC[C@H](Cl)C1	307544706	WTEFXLFFQIVGOO-MRVPVSSYSA-N	241.740	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCOCCOC	309186786	AEUFORPUWRQUGL-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
Cc1ccc(COC2COC2)cc1B(O)O	313749694	IUOXDDVPYCCSBG-UHFFFAOYSA-N	222.049	-0.410	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C[C@@H](C)C(=O)NN	380338114	IZUITVKBXZLYMR-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CCOCCOC	384035459	MATJFTZXZSIGMX-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
C[C@H](CNS(=O)(=O)CCl)c1nn[nH]n1	392689670	VAMGPIMBNJEOLS-SCSAIBSYSA-N	239.688	-0.581	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(O)C2)o1	394949172	WQMITWPWRWVPRK-UHFFFAOYSA-N	211.221	-0.940	50	10	BBGE	
Cn1nnc(CNC(=O)CCCl)n1	398082773	OFJFYUBKSXOEPF-UHFFFAOYSA-N	203.633	-0.545	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC(CO)C1	490881877	ZQNACKIHEFPTJT-CLFYSBASSA-N	210.233	-0.119	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cl	575458905	FISDTJDFTMXBSG-CRCLSJGQSA-N	227.669	-0.253	50	10	BBGE	
COC(=O)c1cc2c(c(B(O)O)c1)OCCC2	675076712	YRHNZSMFDPGNNU-UHFFFAOYSA-N	236.032	-0.522	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](N)CC(F)F)CC1	692131717	ICSOVLYNHHRISB-ZETCQYMHSA-N	247.245	-0.154	50	10	BBGE	
NNC(=O)Cn1ncc(C(F)(F)F)cc1=O	695711432	WTZFLLNDTCFTHZ-UHFFFAOYSA-N	236.153	-0.748	50	10	BBGE	
N#Cc1cc(F)cc(Cn2ccc(B(O)O)n2)c1	703650969	OPSUUNUVLMPSAQ-UHFFFAOYSA-N	245.022	-0.378	50	10	BBGE	
CN(CCCCC(=O)NN)CCn1cnnc1	707426578	WLEHZBPKQRZYPU-UHFFFAOYSA-N	240.311	-0.630	50	10	BBGE	
C#CC[C@H](O)CNC(=O)CBr	717904132	PUIBGKGTHWVNFX-LURJTMIESA-N	220.066	-0.118	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H]1CO2	718287917	YXGBUQZCEYETEL-CIUDSAMLSA-N	213.281	-0.382	50	10	BBGE	
[O][S@@+](=O)(Cl)CC1=[N+]2CCOC[C@H]2N=C1	725701437	RBCPNYKCTGITBE-ZETCQYMHSA-N	237.688	-0.121	50	10	BBGE	
COC[C@@](C)(O)C(=O)NNC(=O)c1ccoc1	754994747	RNUQXQJAJCSTKQ-SNVBAGLBSA-N	242.231	-0.562	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncon1	832826319	WLXNGLYIBUUDCO-PHDIDXHHSA-N	224.220	-0.123	50	10	BBGE	
CCCNC(=O)NNC(=O)C[C@@H](C)NC(N)=O	847395819	ZYWVWPPQEIPFCV-ZCFIWIBFSA-N	245.283	-0.826	50	10	BBGE	
C[C@H](CCl)NS(=O)(=O)c1cn(C)nn1	888082181	JOBJCQZYEOSGNP-RXMQYKEDSA-N	238.700	-0.279	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C12CCN(CC1)C2	900417481	OYAILLJBEIXJSJ-UHFFFAOYSA-N	240.307	-0.179	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1118270117	WEZJRAZUHPOTMZ-BWZBUEFSSA-N	223.232	-0.385	50	10	BBGE	
CC(C)(C)NC(=S)NNC(=O)C1(O)COC1	1135975115	CPXZLQPHIYOCBS-UHFFFAOYSA-N	247.320	-0.959	50	10	BBGE	
CCOCC(=O)NNC(=O)NC[C@H](C)N(C)C	1312710017	MWVCCELALSOVHE-QMMMGPOBSA-N	246.311	-0.697	50	10	BBGE	
Cc1ccnn1CC(=O)NNC(=O)c1cc[nH]n1	1453286025	SXKNOJSIJASWHK-UHFFFAOYSA-N	248.246	-0.624	50	10	BBGE	
N#CCCCNC(=O)NNC(=O)c1cccnn1	1681525406	FSXLWQUOWGQBDF-UHFFFAOYSA-N	248.246	-0.276	50	10	BBGE	
C#CCCN(CC)C(=O)c1cccc(B(O)O)c1	1875593148	KGRORPMGYGOZGH-UHFFFAOYSA-N	245.087	-0.148	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COC[C@H]1F	1881204493	JWWSSOCCDNOQTM-UHNVWZDZSA-N	217.649	-0.161	50	10	BBGE	
C[C@H](SC1CNC1)[C@H](C)C(=O)NN	1882121028	NZKJEADAWIKQOV-WDSKDSINSA-N	203.311	-0.294	50	10	BBGE	
C[C@@H](O)[C@@H](O)CNC(=O)C=CC(=O)Cl	1893411432	XGBAAXVRIUWFIF-RITPCOANSA-N	221.640	-0.834	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2C[C@@H]1C[C@H]1C(=O)NN	1896277964	KJNWJEXBBTVCMY-AXTSPUMRSA-N	224.308	-0.999	50	10	BBGE	
CN(C)[C@@H]1CN(C(=O)/C=C/C(=O)Cl)C[C@@H]1O	1897226964	NDXBMBMRCMDPKC-ZGNIKFQOSA-N	246.694	-0.559	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1N	1901340858	LBDWWVJZFALYFQ-SFYZADRCSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](N)C1CCC1	1901376837	GXAURPSYMDLOMH-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
CN(CC1(O)CC1)C(=O)C1(B(O)O)CCC1	1901609714	IDRFJKHOCIQLCM-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CC(C)[C@@H](CO)N(C)CC(F)(F)C(=O)NN	1902090134	AMCNVGAQPDJSBS-SSDOTTSWSA-N	239.266	-0.440	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)N1CCC[C@H]1CO	1905584441	PGUNTSJSDJGKAJ-BDAKNGLRSA-N	242.084	-0.888	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907250166	RKRBCVFXMIVRIL-MMWGEVLESA-N	241.335	-0.010	50	10	BBGE	
CN1CC[C@H](OC[C@@H]2CC[C@H](C(=O)NN)O2)C1	1910294495	JTCVUJJPZJBEEA-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)CCC1=O	1914270372	ZIMUJKQOKDNPKH-VIFPVBQESA-N	243.307	-0.480	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CC(O)C1	1914601015	HOIRAEIYWIMSCB-RRQHEKLDSA-N	201.270	-0.790	50	10	BBGE	
Cn1nnc(CN)c1C(=O)N1CC=C(C#N)CC1	1917044388	GKOGMXXQTHBVER-UHFFFAOYSA-N	246.274	-0.430	50	10	BBGE	
N#Cc1cc(C(=O)NNC(N)=S)ccn1	1923085051	WUDLYNGMETYMCR-UHFFFAOYSA-N	221.245	-0.569	50	10	BBGE	
C[C@@H]1CNC[C@@H]1N1CCC(O)(C#N)CC1	1926452523	VBEWRJVFZXFBBX-ZJUUUORDSA-N	209.293	-0.055	50	10	BBGE	
CCN(CCC#N)C[C@@H]1C[C@H]1C(=O)NN	1927915423	GOYLUNHHPXRIOB-DTWKUNHWSA-N	210.281	-0.152	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@@H]1[C@@H](O)CO	1928572896	BXGRCHKWZJSEMF-RNJXMRFFSA-N	237.683	-0.806	50	10	BBGE	
N#CC1(O)CCN([C@H]2COC[C@H]2N)CC1	1928976182	IIGNQEBSDWKQSD-BDAKNGLRSA-N	211.265	-0.937	50	10	BBGE	
CO[C@@H](CNC(=O)NN)[C@H]1CCCOC1	1930526642	XYXRJYJYHPNXKP-YUMQZZPRSA-N	217.269	-0.399	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@H](O)CF	1930559530	HFAUNRCHLBGZDD-RRKCRQDMSA-N	217.196	-0.767	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1934333960	PJSIVHZDJDMRSU-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
CC[C@H](CN)S[C@@H](COC)C(=O)NN	1934334787	ZZOZYXGISGSLNO-RQJHMYQMSA-N	221.326	-0.538	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@H]1C[C@@H]1C(=O)NN	1936080214	IRJHAEVDQRSMOC-DOLQZWNJSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(O)(C2CC2)C1	1936093952	IZQKESHMXXKUJZ-APPZFPTMSA-N	225.292	-0.931	50	10	BBGE	
CC(C)NC(=O)CSCCOCC(=O)NN	1936527752	WIYNGZNUVIEUAY-UHFFFAOYSA-N	249.336	-0.749	50	10	BBGE	
CCC[C@]1(O)CCN([C@H](C)CC(=O)NN)C1	1937988642	XRRLMIUVJMGBCG-KOLCDFICSA-N	229.324	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)N1CCn2ncc(Cl)c2C1	1939122272	KIJBAMXNLMZYDM-ZCFIWIBFSA-N	243.698	-0.270	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1941011823	LLDXYEGNCSNAKI-CIUDSAMLSA-N	247.314	-0.204	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1C[C@H]1CCl	1955095243	JEQJJDBKLKWZPO-NTSWFWBYSA-N	215.644	-0.583	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](OCCO)C1	1956308551	CTRJPHZOGAVZBY-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H](CCO)C1	1956984249	XNNZNCDRSZAWDC-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
OB(O)c1cnn([C@H]2CC[C@@H]3C[C@@H]3C2)c1	1957525327	QKFLMNNZZVUYSN-MRTMQBJTSA-N	206.054	-0.076	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CN2CC[C@H]1C2	1958209337	BWTGMQSSGYDGCH-DTWKUNHWSA-N	212.297	-0.998	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1C[C@@]12CC2(F)F	1961596819	KVPBSDADCVOXPX-POYBYMJQSA-N	219.235	-0.047	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2C[C@H]2C1	1961679669	OBIJNOAFNZNDNS-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	1961815378	OAADZJLMVBSYRM-WXUMCUSRSA-N	209.249	-0.863	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)C12CC(CO1)C2	1967574230	VVPKAXMBAVHOFR-UHFFFAOYSA-N	239.080	-0.369	50	10	BBGE	
C[C@]1(CNC(=O)C(=O)NN)CCCC1(F)F	1979988146	MHVOWWODCGNENX-MRVPVSSYSA-N	235.234	-0.082	50	10	BBGE	
O[C@@H](CCl)CN1CCN([C@@H]2CCOC2)CC1	1981053735	NCLQXULPWOGQCZ-MNOVXSKESA-N	248.754	-0.007	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)C[C@@H]1C	1981413606	IRCFPEOJIFOWSS-OCAPTIKFSA-N	221.069	-0.751	50	10	BBGE	
Cc1ncnc(N2C[C@H](C)[C@@H]2C)c1B(O)O	1981447582	PORSGMRJXUAOFA-XPUUQOCRSA-N	221.069	-0.691	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCOC[C@@H]1F	1987226745	ZAVSLHRUJOKIAM-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
O=C1CN(CCCc2nncs2)CC(=O)O1	1989767346	YPLXETFHHXVADR-UHFFFAOYSA-N	241.272	-0.144	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)S[C@@H](C)C1	1990775500	WITRKALTHNEKFT-YUMQZZPRSA-N	245.348	-0.021	50	10	BBGE	
COC1(CN(C)CC(=O)NNC(C)=O)CC1	1990775870	BQXYKZMEOJBEIL-UHFFFAOYSA-N	229.280	-0.736	50	10	BBGE	
C[C@@H](CS(=O)(=O)NCC=CB(O)O)C1CC1	1991346420	VLIMFXULVYBBCR-QMMMGPOBSA-N	247.125	-0.480	50	10	BBGE	
CNC(=O)[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1991713551	UXHSVBVKFZPCQU-AIYRYJHASA-N	244.678	-0.098	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(F)(CO)CC1	1995937137	HAOKRSOYVYQVPJ-SECBINFHSA-N	247.314	-0.059	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1997512771	NGPNTWMVIWGNOG-GHMZBOCLSA-N	240.351	-0.077	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C)CCC(=O)NN)n1	1997734232	ZMFOGIILBAUGMU-ZETCQYMHSA-N	241.295	-0.032	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CC(CN)C2)CC1	2003481624	CPMJPCSDSNYWNU-UHFFFAOYSA-N	234.303	-0.441	50	10	BBGE	
C[C@@H]1C[C@@]1(C)CN(C)c1ncncc1B(O)O	2004916428	LODNOIYZPMTZER-KCJUWKMLSA-N	235.096	-0.361	50	10	BBGE	
Cc1cc(C)n(-c2nc(C)ncc2B(O)O)n1	2005009531	OPGMGBFTGPIIRV-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
CC1(O)CC2(CN(C[C@H]3C[C@@H]3C(=O)NN)C2)C1	2011899464	DDHHSXXUIDRXKP-BDAKNGLRSA-N	239.319	-0.541	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2(C)CCC2)n1	2018411222	VYJOLGJGRAJBHA-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CN(C)NC(=O)N1CCOC[C@H](CC(=O)O)C1	2022624475	VBZLKECHCALWRU-MRVPVSSYSA-N	245.279	-0.404	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C2CC2)C2COC2)n1	2052552801	YDZHJLUQTGZECP-UHFFFAOYSA-N	248.091	-0.563	50	10	BBGE	
CCOc1cnn(-c2nccc(C)c2B(O)O)c1	2052597281	PCZKUMHDBMEXEI-UHFFFAOYSA-N	247.063	-0.346	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2ccc(C3CC3)n2)n1	2052600357	WCSQOGTTYVIPAP-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
CC(C)CCCn1cnc2c(B(O)O)ncnc21	2055732316	WAWYWAKXVOCSAP-UHFFFAOYSA-N	248.095	-0.058	50	10	BBGE	
CN(C[C@H]1CC12CCC2)c1ncncc1B(O)O	2069258601	CBDDWEZJRRVJGV-SECBINFHSA-N	247.107	-0.217	50	10	BBGE	
C=COCCCNC(=O)c1ccc(B(O)O)cc1	2079012265	REQVOYBUFSXDEI-UHFFFAOYSA-N	249.075	-0.354	50	10	BBGE	
COCCCN(C)Cc1ccc(B(O)O)s1	2211080231	ZHZVCSHLHZMJPU-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
CN1CCC[C@@H]1COCCOCC(=O)NN	2211855221	ZYDZXLVXTJSMNI-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CCO[C@@H](C)CNc1cc(B(O)O)ccn1	2212604278	VNPSDNIPYQCTNG-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
CC[C@@H](N)COc1cc(B(O)O)c(C)cn1	2212607517	KWNYWPNJKNIDNX-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
CC(C)(N)CCNc1ncccc1B(O)O	2212610375	HVORSKVTVBULJR-UHFFFAOYSA-N	223.085	-0.699	50	10	BBGE	
CC(C)(CCN)Nc1ccc(B(O)O)cn1	2212610540	KNWNOFGBSDVROQ-UHFFFAOYSA-N	223.085	-0.699	50	10	BBGE	
CC[C@@H](N)CN(C)Cc1cccc(B(O)O)c1	2214594519	GXCCXGURKWPYLT-GFCCVEGCSA-N	236.124	-0.465	50	10	BBGE	
CN(c1ncccc1B(O)O)C(C)(C)CCO	2217181518	QYZFHIUGYMZFBC-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1Nc1ncc(B(O)O)cn1	2217181678	SWCSHIPKWBCLLB-MUWHJKNJSA-N	243.022	-0.388	50	10	BBGE	
CC[C@@H](N)C[C@H](C)Oc1ccc(B(O)O)cn1	2217190392	CXRKUEHXIBTNCT-WCBMZHEXSA-N	238.096	-0.344	50	10	BBGE	
OCC(F)(F)CCNc1cc(B(O)O)ccn1	2217197894	SPNUHHVLMOCNHP-UHFFFAOYSA-N	246.022	-0.809	50	10	BBGE	
C[C@@]1(Nc2ccc(B(O)O)cn2)CCCNC1	2217198803	GOLAGFLKBBTFPS-LLVKDONJSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1cnc(NCC2(F)CCCC2)nc1	2217204661	MSRUCHUJVQVCDD-UHFFFAOYSA-N	239.059	-0.149	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]2N3)nc1	2223651796	DZKIARVSKJRBQQ-GMTAPVOTSA-N	247.107	-0.544	50	10	BBGE	
C=C[C@]1(C)COCCN1c1ccc(B(O)O)cn1	2223653080	NWJMTBJEDRZBQS-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
NCCN(c1ncccc1B(O)O)C1CCCC1	2223667445	PTKAFGRGHSMVDT-UHFFFAOYSA-N	249.123	-0.531	50	10	BBGE	
CC1(C)C[C@@H](CNc2cc(B(O)O)ccn2)CN1	2223677505	OTOWNZVQYRUIMG-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
CC[C@H](C(F)F)n1ccc(B(O)O)n1	2242503937	ZHSACYNJFTWHLA-RXMQYKEDSA-N	203.985	-0.221	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2242762729	XGEBJTWFLTTYPC-CIUDSAMLSA-N	249.694	-0.398	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1CC[C@H]2C[C@H]1CO2	2242991168	OEVOYUJKWQTGKI-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1coc(B(O)O)c1	2243349653	OOXJRIFIPHDDAA-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
CC(C)OC1CN(C(=O)C2(B(O)O)CC2)C1	2243364199	SQORDTGHUMYGSF-UHFFFAOYSA-N	227.069	-0.371	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1CN	2243365293	KRRGJENTQCOQMP-JGVFFNPUSA-N	226.085	-0.953	50	10	BBGE	
CS[C@H](CO)[C@H](C)NC(=O)C1(B(O)O)CC1	2243365341	LEYASKONCKPVSO-NKWVEPMBSA-N	247.125	-0.778	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CC2(F)F)C1(B(O)O)CC1	2243366191	YMOWXCKPDDRWLM-CAHLUQPWSA-N	231.007	-0.093	50	10	BBGE	
O=C(NCCF)c1c(Cl)cccc1B(O)O	2243408961	YHYNAHFVJAMZTB-UHFFFAOYSA-N	245.446	-0.281	50	10	BBGE	
CC(C)CCNC(=O)c1cc(B(O)O)co1	2244205497	KBOWDCIHQWKRRQ-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)co1	2244212952	XNMSJBOIHMRUAH-LURJTMIESA-N	229.016	-0.563	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2245117496	AXFGZEARHSPOCD-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
CC(C)(C)CCN(CCO)C(=O)C(=O)NN	2245379842	ZOXKZPKSQICLFO-UHFFFAOYSA-N	231.296	-0.767	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ccncc1B(O)O	2247721442	DEWATAYBRPHYJO-ZETCQYMHSA-N	240.043	-0.761	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247724581	ZXJJYFGKQCZCPF-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ccoc1B(O)O	2247746637	BKWZMEPJBMABGR-VXNVDRBHSA-N	237.064	-0.170	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2247747395	MYQHKADHMVZEEM-BDAKNGLRSA-N	236.080	-0.531	50	10	BBGE	
O=C(N1CC=CC[C@@H]1CO)C1(B(O)O)CCC1	2247756291	SLMYTBAIKJDDLO-SECBINFHSA-N	239.080	-0.467	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2B(O)O)C1	2247782425	UQQCHAXYTMMSRJ-RNFRBKRXSA-N	237.068	-0.992	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1cc(B(O)O)n[nH]1	2247786077	VIXSUYNDKGAETN-UHFFFAOYSA-N	241.031	-0.917	50	10	BBGE	
C[C@@H](CCN(C)C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787948	WYQCVJLXCDKFCZ-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1B(O)O	2247798261	RTVNCXGCNUMPGM-LIKBTPFBSA-N	238.096	-0.909	50	10	BBGE	
O=C(NC[C@@H]1CCCCCO1)[C@@H]1C[C@@H]1B(O)O	2247798955	YOGPUEIAUSHLOO-AEJSXWLSSA-N	241.096	-0.075	50	10	BBGE	
CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247800886	URBNIQVWIULPDQ-AEJSXWLSSA-N	241.096	-0.266	50	10	BBGE	
CC#CC[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247801209	YISDOHSENODNIX-UDNWOFFPSA-N	239.080	-0.870	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247803408	AYUOOLSHHJPLGP-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
O=C(N[C@@H]1CN2CCC1CC2)[C@H]1C[C@H]1B(O)O	2247803615	BUPIQGHLEMILTI-IVZWLZJFSA-N	238.096	-0.940	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccnn1C	2247809171	YAYVCMGMVAUJMW-XLPZGREQSA-N	237.068	-0.540	50	10	BBGE	
CC[C@@H](O)CN(C(=O)C1(B(O)O)CC1)C1CC1	2247853658	PMXMILPIGCMNLG-SECBINFHSA-N	241.096	-0.245	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)C1(B(O)O)CCC1	2247854227	YWZYSSOVRRWOHU-UHFFFAOYSA-N	243.112	-0.140	50	10	BBGE	
CC1(C)C[C@H](O)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247859029	JTPMMVQCOKGDNL-DJLDLDEBSA-N	241.096	-0.531	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1coc(B(O)O)c1	2247870255	GZQJXUUGIMTNLB-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
O=C(N1CC[C@@H]1c1ncon1)C1(B(O)O)CC1	2247877020	AOBIEGOCCMUECC-ZCFIWIBFSA-N	237.024	-0.650	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1occc1B(O)O	2247877865	FONQSAKEXPQGNI-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
O=C(NCC1(F)CCOCC1)[C@H]1C[C@@H]1B(O)O	2247900025	SHDMXFZFGKHSRF-YUMQZZPRSA-N	245.059	-0.516	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247910893	SAGVUIQGXHPYLS-DTORHVGOSA-N	243.112	-0.284	50	10	BBGE	
CCCN(CCC(=O)O)C(=O)C1(B(O)O)CC1	2248576256	FZHVYIPBTHFHNL-UHFFFAOYSA-N	243.068	-0.293	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)[C@@H](C)C(=O)O	2248591501	QAXRYCRWFOHAST-KKMMWDRVSA-N	243.068	-0.439	50	10	BBGE	
CCCC[C@@H](CC(=O)O)NC(=O)C#CB(O)O	2248592858	HCGRVGYZTQKQMO-QMMMGPOBSA-N	241.052	-0.849	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CC(N)=O)CC1	2249308433	PMOPDPILHQQZCT-QMMMGPOBSA-N	240.307	-0.904	50	10	BBGE	
C[C@@H]1CN(C(=O)C#CB(O)O)[C@H](C)C(C)(C)O1	2250473048	PZWTVNPNRXFVDJ-RKDXNWHRSA-N	239.080	-0.584	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CCOC)C[C@H](C)O	2250554844	YZLCWDADBHBDQN-VHSXEESVSA-N	247.339	-0.526	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2251031643	VXJLDZRSGHIEGT-QCLAVDOMSA-N	241.096	-0.389	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ccncc1B(O)O	2255450078	TUGHBGTVEQPROK-LBPRGKRZSA-N	246.075	-0.707	50	10	BBGE	
CC1(C)[C@@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]21	2255452864	BVHKBUDWDTXTSX-RKDXNWHRSA-N	249.075	-0.313	50	10	BBGE	
CN(C[C@H]1CC12CC2)C(=O)c1occc1B(O)O	2255490126	DPQHOSQWVHJQMC-MRVPVSSYSA-N	249.075	-0.169	50	10	BBGE	
C#C[C@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255572984	FNMFAZLLIAOYHH-VIFPVBQESA-N	247.059	-0.591	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2[C@H](C1)[C@H]1CC[C@H]2O1	2255669735	SQPLIQWDRNJJAL-UKKRHICBSA-N	249.075	-0.926	50	10	BBGE	
O=C(C#CB(O)O)N1CCCOc2ccccc21	2255679336	GQCLIOURCUAZDM-UHFFFAOYSA-N	245.043	-0.183	50	10	BBGE	
C[C@@H]1CCC(=O)N1C(=O)c1cccc(B(O)O)c1	2255709974	DUVYHLAEFDJWHA-MRVPVSSYSA-N	247.059	-0.483	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2258123279	MTLMGIPYUNGZJH-VIFPVBQESA-N	249.075	-0.002	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@H]2C[C@@H]21	2298165849	CEUUGYVSYXXXGY-VLEAKVRGSA-N	238.335	-0.609	50	10	BBGE	
O=C(C[C@H]1CC[C@@H]2C[C@H]12)NCCC#CB(O)O	2298634212	WKBIVNBUDYIKMH-MXWKQRLJSA-N	235.092	-0.056	50	10	BBGE	
CCC(C)(C)NC(=O)c1c(B(O)O)ncn1C	2300226097	PVLCAYHCBGITRD-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](F)C[C@@H](O)C1	2302017963	LCYCJQBRDXKJLP-LPEHRKFASA-N	247.314	-0.060	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN[C@H]2CCC[C@@H]21	2302889825	OEHFROQZOXGDMW-KATARQTJSA-N	238.096	-0.798	50	10	BBGE	
O=C(c1ccnc(F)c1)N1CC[C@H](B(O)O)C1	2303115577	VKQRXRCBCQMRJZ-QMMMGPOBSA-N	238.027	-0.090	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC[C@@H]2CCNC2=O)C1	2303157221	ZXQGUSBYAJJYHN-GXSJLCMTSA-N	240.112	-0.549	50	10	BBGE	
C[C@H]1C[C@@H]1CCN=c1cc(B(O)O)c(F)c[nH]1	2303836535	NTOVXWUWURTPJS-YUMQZZPRSA-N	238.071	-0.220	50	10	BBGE	
CC(C)[C@@H]1C[C@@H](O)CN1CCOCC(=O)NN	2304253832	TWIRQSJPUZJCSL-ZJUUUORDSA-N	245.323	-0.916	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306283184	JRTVDRGJFRJIQL-XWLWVQCSSA-N	241.335	-0.154	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)nc1	2312612470	ZIGXSSXQJZUDIB-WJOQGRNVSA-N	245.091	-0.387	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)C[C@@H]2NCC[C@@H]21	2312614349	IXMKSTCXVMZWJN-JBLDHEPKSA-N	248.091	-0.719	50	10	BBGE	
CC12CC(C1)[C@H](Nc1ncc(B(O)O)cn1)CO2	2315934640	XJFWGUJDYNQIOK-PUDKOPFASA-N	249.079	-0.864	50	10	BBGE	
Cc1ccc(B(O)O)c(OCC2=CCCOC2)n1	2327491098	DJFKOQLPISVSLY-UHFFFAOYSA-N	249.075	-0.205	50	10	BBGE	
CNC(=O)[C@H](C)NC(=O)NC(=O)CCl	42576062	KMUZQOWNSHHOOV-BYPYZUCNSA-N	221.644	-0.815	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1cccs1	49815356	RDDWBEKSXSFBMX-YFKPBYRVSA-N	213.262	-0.144	50	10	BBGE	
NCC(=O)NNC(=O)Cc1ccc(F)cc1	49819908	XSQFOPZPVPWDRB-UHFFFAOYSA-N	225.223	-0.526	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@H](C)CCl	70590177	PCLOMGUOCCPULB-RNFRBKRXSA-N	209.673	-0.015	50	10	BBGE	
CCOC(=O)CS[C@@H](C)C(=O)NN	82472466	UJSNMBMPRKAFLB-YFKPBYRVSA-N	206.267	-0.339	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCC(=O)N(C)C1=O	84406426	WHRZWWCXHIXOHU-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
CN1CCN(C(=O)NN)C(C)(C)C1=O	87289349	KOUMGNPTEBWPLN-UHFFFAOYSA-N	200.242	-0.878	50	10	BBGE	
CS(=O)(=O)CCN1CCO[C@@H](CCl)C1	88095224	HOEHYJZDNYCLLI-QMMMGPOBSA-N	241.740	-0.029	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)Nc2ccccc21	113176118	BMOZGBRBGIJASP-SSDOTTSWSA-N	234.259	-0.177	50	10	BBGE	
CC(C)(CN1CC(=O)OC(=O)C1)S(C)(=O)=O	118211232	QBLAHRWEMQPIMO-UHFFFAOYSA-N	249.288	-0.805	50	10	BBGE	
O=C(CBr)C[C@@H](O)C(=O)O	118613272	WKNWPCGPLIWHMY-SCSAIBSYSA-N	211.011	-0.214	50	10	BBGE	
Cn1ccc(COc2cncc(B(O)O)c2)n1	211788792	BFSQBZVBLSFIBN-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
CNC[C@@H]1CCCN([C@@H](C)CC(=O)NN)C1	216484491	ANLOWTIHMCONHQ-UWVGGRQHSA-N	228.340	-0.314	50	10	BBGE	
OB(O)c1cncc(OCOCC2CC2)c1	236419050	UNTAMZYVIMSJQS-UHFFFAOYSA-N	223.037	-0.476	50	10	BBGE	
CCCCCCNNC(=O)[C@@H](N)CO	238242550	FNRQWMXDQPQQSZ-QMMMGPOBSA-N	203.286	-0.493	50	10	BBGE	
CCc1cc(B(O)O)ccc1CC(=O)O	238309914	ZAHWWKSLMZHCDK-UHFFFAOYSA-N	208.022	-0.444	50	10	BBGE	
Cn1cc([C@@H](Cl)C(=O)N2CCOCC2)nn1	309808560	YIXDAQOCFRGXSE-MRVPVSSYSA-N	244.682	-0.046	50	10	BBGE	
OB(O)c1ccc(OCO[C@H]2CCOC2)cc1	310402813	UYKGGTSUPNJGPE-NSHDSACASA-N	238.048	-0.492	50	10	BBGE	
COC(=O)[C@H]1CN(C(=O)CCl)[C@H]2CCN1C2	383364867	BATYMCRAZYPISI-JGVFFNPUSA-N	246.694	-0.317	50	10	BBGE	
NNC(=O)C(F)(F)On1nnc2ccccc21	383442521	HHVLUKBDYJGCPO-UHFFFAOYSA-N	243.173	-0.557	50	10	BBGE	
C[C@H]1C[C@H](O)CN1CCCCC(=O)NN	385000678	JLGIOPCCVKUESL-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1cc(C(=O)NN)co1	385008435	NQYAMCDNDAPXJM-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
C[C@@H]1C[C@@H](N2CC(=O)OC(=O)C2)[C@@H](C)O1	385017459	XFKABHUJCLSKEI-BWZBUEFSSA-N	213.233	-0.062	50	10	BBGE	
Cc1csc(CN(C)C(=O)C(=O)NN)n1	387662998	YGYIQGCQIFVMIB-UHFFFAOYSA-N	228.277	-0.600	50	10	BBGE	
C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC(=O)CCl	392869539	JOYHKTXNCJYYDG-NTSWFWBYSA-N	247.682	-0.282	50	10	BBGE	
C[C@@H](CCl)C(=O)NC[C@@H]1CN2CCN1CC2	394760689	SMVLWRJAQSSTGK-VHSXEESVSA-N	245.754	-0.023	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H](O)[C@@H]1C	395100852	MDKBYTAFZLUOMI-DJLDLDEBSA-N	215.297	-0.400	50	10	BBGE	
CCC(=O)c1ccc(C#N)c(B(O)O)c1	396105095	WEJNMGNPTWUPHW-UHFFFAOYSA-N	203.006	-0.169	50	10	BBGE	
O=Cc1cccc2c(B(O)O)c(CO)sc12	396333666	HWVIRBGGNWCSLB-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
OCc1c(O)c(B(O)O)cc2ccsc12	396342888	NSWBSSKPOQQJDW-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1F)[C@H](O)C1CC1	396437710	AVJQZAYMAXSODE-GHMZBOCLSA-N	239.055	-0.724	50	10	BBGE	
CC[C@@H]1CN([C@@H](C(=O)NN)C(C)C)C[C@H]1O	399955983	ZSMCYKXQDAGKCU-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)NC1CCC1	405132122	GZQKKDJCBLNPHZ-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
OB(O)c1cccc(CN[C@H]2CCCOC2)c1	585037679	GVVOASTWDPZYML-LBPRGKRZSA-N	235.092	-0.365	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)[C@H]1C	685957207	VBKXOKZFMCVYMA-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)NC(=O)CCl)C1=O	690251947	MNZWTBGGTIAMKQ-ZCFIWIBFSA-N	247.682	-0.376	50	10	BBGE	
O=C(NC[C@H]1CN2CCN1CC2)OCCl	692859693	KTSQHQGUVLJIQR-QMMMGPOBSA-N	233.699	-0.091	50	10	BBGE	
OB(O)c1cnn(C[C@H]2CC=CCC2)c1	694510740	ZBLFATFTDHKMMT-VIFPVBQESA-N	206.054	-0.081	50	10	BBGE	
Cc1ncsc1C(=O)NCB(O)O	701933053	UXPSDVROEFZPIE-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
COC[C@@H]1CCCN1C[C@@H](C)C(=O)NN	702767036	NTWGWVXARIDWHB-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
C[C@]1(C#N)CCN(CCCC(=O)NN)C1	703345773	AFFHWPIOKZGXKV-SNVBAGLBSA-N	210.281	-0.008	50	10	BBGE	
COC(=O)[C@@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703466149	PJEYNYAUCSXVEI-VQVTYTSYSA-N	227.216	-0.536	50	10	BBGE	
C[C@@H](NC(=O)c1ccco1)C(=O)N(C)N	704704864	AIBYSWDEVCNMLB-ZCFIWIBFSA-N	211.221	-0.270	50	10	BBGE	
CN(CCn1cnnc1)C[C@H](Cl)C(=O)O	707596507	SVQUBZCQGWXVOF-ZETCQYMHSA-N	232.671	-0.098	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H](C)c1cnn(C)c1	710155894	IFJDLHCWKSNZDH-HTQZYQBOSA-N	225.296	-0.209	50	10	BBGE	
CCNC(=O)c1ccc(B(O)O)c(C)c1	716783324	ATHYHVLEMMNTQI-UHFFFAOYSA-N	207.038	-0.575	50	10	BBGE	
O=S(=O)(CCCl)NC[C@H]1C[C@H](O)C1	720907736	NTWZPYOWSLCRCT-LJGSYFOKSA-N	227.713	-0.085	50	10	BBGE	
NC(=O)CC(=O)NNc1ccccc1[N+](=O)[O-]	746092671	AFBVLYORCKUINE-UHFFFAOYSA-N	238.203	-0.087	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C	770644229	JLYFXYFFJWVHDP-RNFRBKRXSA-N	200.238	-0.031	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)[C@H]1CC(=O)N1	830920002	OUPFRNWWNKYHLC-SSDOTTSWSA-N	248.242	-0.960	50	10	BBGE	
CNC(=S)N(C)NC(=O)C1(F)CC1	854928229	ZNAVEOXOQZJNKK-UHFFFAOYSA-N	205.258	-0.044	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNC(=O)C1CCC1	900659228	LZAKYEHJZKWRFD-SSDOTTSWSA-N	230.264	-0.934	50	10	BBGE	
Cn1cnc(NS(=O)(=O)CCCl)n1	1253429055	QNQKQSZDZRTUTQ-UHFFFAOYSA-N	224.673	-0.204	50	10	BBGE	
O=C(c1cn2c(n1)CCC2)N1CC[C@H](B(O)O)C1	1331825578	CLOQLVXSVZNRSN-QMMMGPOBSA-N	249.079	-0.482	50	10	BBGE	
O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc[nH]1	1623337261	VCGKIQORTTUNGP-IYSWYEEDSA-N	238.203	-0.559	50	10	BBGE	
O=C(NNC(=O)c1ncc[nH]1)c1cnsn1	1637805717	HLAFXOZQFNPTME-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
C[C@H](O[C@@H]1CCO[C@H](C)C1)C(=O)NN	1878005166	DNZBDCMYUASAGZ-GJMOJQLCSA-N	202.254	-0.051	50	10	BBGE	
O=S(=O)(CCl)NO[C@@H]1CCOC1	1881250522	WHPDAHAWKYGQBG-RXMQYKEDSA-N	215.658	-0.177	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1nn[nH]n1	1883565403	BQOAJCUSPMMMPV-IMJSIDKUSA-N	201.617	-0.443	50	10	BBGE	
NNC(=O)C(F)(F)CCSCC(N)=O	1885134394	HSINFJLEOJTVMU-UHFFFAOYSA-N	227.236	-0.780	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1CO[C@H](C)C1	1888048965	CBLYYCNRZWAEAR-GJMOJQLCSA-N	202.254	-0.051	50	10	BBGE	
CCN(C)Cc1nc(B(O)O)cs1	1891784088	WINZTDSLESTRPI-UHFFFAOYSA-N	200.072	-0.725	50	10	BBGE	
OB(O)c1csc(Cn2cccn2)n1	1891824044	REDOWAWFWXJFRI-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
C[C@H]1C[C@H]1OCc1nc(B(O)O)cs1	1891824100	RXONDFALLFMOSA-NTSWFWBYSA-N	213.067	-0.252	50	10	BBGE	
N[C@H](CCNC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1893445873	HIRWQILNLCIUQG-HCWXCVPCSA-N	220.656	-0.468	50	10	BBGE	
CNC(=O)CCNC(=O)/C=C/C(=O)Cl	1893497006	APWDNBAXELNXAX-NSCUHMNNSA-N	218.640	-0.440	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC=CCS1(=O)=O	1894738457	NMJUWKQBCWEPQF-QMMMGPOBSA-N	247.320	-0.653	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CSC[C@H](O)CO)C1	1895941074	LQUUPVZWBZENBF-DJLDLDEBSA-N	248.348	-0.521	50	10	BBGE	
C=C(Cl)CONC(=O)c1cc(B(O)O)co1	1899440220	QTXVDMQIAMNKGV-UHFFFAOYSA-N	245.427	-0.627	50	10	BBGE	
Cc1sc(C(=O)N2CC[C@@H]2C)cc1B(O)O	1899939498	QYLWQTVZFBFYGA-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2CC1(CO)C2	1900042631	DVXRLGXPSIWMPB-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cnsc1B(O)O	1900475818	ZJZBSBFKSGWZGR-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
C[C@H](N)[C@H](O)C(=O)N1CC=C(C#N)CC1	1911226737	HHMQSDXSRQWVBD-CBAPKCEASA-N	209.249	-0.623	50	10	BBGE	
CC[S@@](C)(=O)=N[C@@H](C)CC(=O)NN	1913889325	VWRYMWUQQJMVBH-DAZKTRTLSA-N	207.299	-0.127	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2COCCN2)CC1	1917113154	UZKSISKHHUIDNH-SNVBAGLBSA-N	221.260	-0.343	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	1917551053	VHHRDPQHJPZNHN-HOTMZDKISA-N	210.277	-0.108	50	10	BBGE	
CCCN(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1927914635	WMVFDDOJXVOAAB-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
O=C(Cn1cnnc1)N1CC(CCl)C1	1928691029	VJLOAOHLJWIKLX-UHFFFAOYSA-N	214.656	-0.025	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(C2CC2)C1	1933056718	MZXSUOQTFRDTPS-PSASIEDQSA-N	209.293	-0.046	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC12CC2	1933373440	WWNXWBKTCOHLGZ-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
COCC(C)(C)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1936093810	HQXJGPHAGSTLRA-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1[C@H]2CC[C@H]1COC2	1936094555	OHTWCUVBBRPRDN-KATARQTJSA-N	225.292	-0.524	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC(O)C3)C2)CC1	1938249596	XBDBZXRMTAHLMU-UHFFFAOYSA-N	225.292	-0.787	50	10	BBGE	
Cc1cnc(=O)n(CC2(C(=O)NN)CC2)c1	1938259034	LMJVXDDGZXNXMV-UHFFFAOYSA-N	222.248	-0.678	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCCCCO2)O1	1942617755	CERUNANPBUJCPA-VHSXEESVSA-N	243.307	-0.059	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1CC2(CCC2)CO1	1957631093	RVDBQOXGEZJEOW-ZCFIWIBFSA-N	229.305	-0.190	50	10	BBGE	
CC(C)N(C)c1ncc(B(O)O)cc1F	1961719195	ZMNQZZADIMFSFY-UHFFFAOYSA-N	212.033	-0.255	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1	1976092594	WYCQKHDGTIIQOV-BIIVOSGPSA-N	241.678	-0.288	50	10	BBGE	
C[C@@H]1CC[C@@H](CCn2ccc(B(O)O)n2)O1	1977037360	AMSYFBPNNKKPBK-BDAKNGLRSA-N	224.069	-0.480	50	10	BBGE	
O=C1CN(CCc2ncccn2)CC(=O)O1	1977972682	RRVODPVERXDUMY-UHFFFAOYSA-N	221.216	-0.596	50	10	BBGE	
CCC[C@@H](C)C(=O)N=c1nc(B(O)O)[nH]s1	1979354444	SUHSKCFSBQLHET-RXMQYKEDSA-N	243.097	-0.986	50	10	BBGE	
CCN(C)C1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	1980601168	GZJFZRCSVQWILL-BDAKNGLRSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CCSCC1	1981040443	DZJBINNQVXYWIK-MRVPVSSYSA-N	247.364	-0.445	50	10	BBGE	
CC(C)[C@H]1CCN1c1ccc(B(O)O)cn1	1981413300	FASGUZCYAHDFJD-SNVBAGLBSA-N	220.081	-0.004	50	10	BBGE	
O=c1nc(CN=c2[nH]nc(CCCl)o2)[nH]o1	1981472365	PWVQNOISPMMYMZ-UHFFFAOYSA-N	245.626	-0.439	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21	1981998451	BGWVKUJEGGYDCP-BGZDPUMWSA-N	223.276	-0.377	50	10	BBGE	
C[C@H]1COCC(=O)N1CC1(C(=O)NN)CC1	1982045605	ZNSXVOFIJGLXGZ-ZETCQYMHSA-N	227.264	-0.996	50	10	BBGE	
C[C@@H]1CCN(CCC(F)(F)C(=O)NN)C1=O	1984127893	GHNVSECCZOYFFQ-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC=C[C@H]1CO	1985649065	RSCXEHDQVWDMOW-ZJUUUORDSA-N	227.308	-0.232	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2COCC[C@H]21	1989935887	MCJGPIJZNSVIQB-IVZWLZJFSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)[C@@H](C)C(=O)NN	1990040620	GQRDQDNKWMRBEL-IMSYWVGJSA-N	229.324	-0.154	50	10	BBGE	
N[C@H](Cc1cn(C[C@H]2C[C@@H]2Cl)nn1)C(=O)O	1991437431	GBPBUCIZWNYVRL-MHSYXAOVSA-N	244.682	-0.140	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@]1(O)CCCOC1	1991713160	PJAQBWKQQQLPLW-VMZHVLLKSA-N	247.678	-0.034	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)c1nc(=O)o[nH]1	1991713270	QXGMEALMEPREME-FSSWKIGTSA-N	245.622	-0.138	50	10	BBGE	
O=S(=O)(CC1CCCC1)NCC#CB(O)O	1992138426	IDLMNIKFHWJVCT-UHFFFAOYSA-N	245.109	-0.889	50	10	BBGE	
C[C@]1(CNC(=O)/C=C/C(=O)Cl)CCNC1=O	1993218526	STNBADPXKZRQNI-VMZHVLLKSA-N	244.678	-0.050	50	10	BBGE	
CC(C)CN(c1ncc(B(O)O)cn1)C1CC1	2004910984	BAZOIAQGISSQQT-UHFFFAOYSA-N	235.096	-0.219	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)[C@H](C)[C@H]1C	2004911623	JFXWCPROWQEUJM-HRDYMLBCSA-N	235.096	-0.363	50	10	BBGE	
Cc1ncnc(N2CC[C@H]3CC[C@H]32)c1B(O)O	2004971803	WGUIWUCVHMREBT-RKDXNWHRSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncnc(N2CC[C@H]2C(C)C)c1B(O)O	2004972914	MQWNXLXTRVKBJB-VIFPVBQESA-N	235.096	-0.300	50	10	BBGE	
CCc1nccn1-c1nc(C)ccc1B(O)O	2005007155	AJPBSMNJKHWNBL-UHFFFAOYSA-N	231.064	-0.182	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H]3C[C@@H]3C2)n1	2005017858	LDGXHOOPEZPING-DTWKUNHWSA-N	233.080	-0.689	50	10	BBGE	
Cc1cnc(N(C)[C@H]2CCOC2)c(B(O)O)c1	2005018756	XWTYALXVWKTFQQ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005990725	KAMLONGPYSEUNZ-MFDAYCCISA-N	241.335	-0.439	50	10	BBGE	
CCCOCCCn1cccc(B(O)O)c1=O	2008844560	PATVKYPTUYYUIY-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	2008976179	ZSHLCBVITMVDHV-UKKRHICBSA-N	241.335	-0.154	50	10	BBGE	
Cc1nn(C[C@@H]2CC[C@@H](C(=O)NN)C2)c(=O)o1	2010835075	KMSPPJVOBKKEAM-HTQZYQBOSA-N	240.263	-0.449	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]2(C1)C[C@@H](O)C2	2011296651	DBGLQIORPIFLLN-QFOLPQNPSA-N	241.335	-0.152	50	10	BBGE	
CC1(F)CC(Cn2cccc(B(O)O)c2=O)C1	2013153960	LVYVJQFVZSOCQU-UHFFFAOYSA-N	239.055	-0.334	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)c1ccc(C)nc1	2019984637	LSLDPSTWGMLSKB-SNVBAGLBSA-N	238.291	-0.169	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(F)c1	2053734853	IDCVTKTZJXJMNO-MYQHRXMXSA-N	248.066	-0.255	50	10	BBGE	
CNCC[C@@H](C)Oc1ccc(B(O)O)cn1	2212603039	BSPTZHSGTIWFAJ-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215774788	FFQQMFVPOBRDFR-UMNHJUIQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC(CO)CC1	2215776979	PVXTWVSNQVUFKD-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)C1(CN2CC([N+](=O)[O-])C2)CCCC1	2216880988	BUWGXJBIVWSGFR-UHFFFAOYSA-N	242.279	-0.502	50	10	BBGE	
Cc1cnc(OC(C)(C)CCN)cc1B(O)O	2217165084	FUVMFVFJJSOMCO-UHFFFAOYSA-N	238.096	-0.424	50	10	BBGE	
COC1(CNc2cc(B(O)O)ccn2)CCC1	2217178382	VLSIEQOQLFZLKZ-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
N[C@H]1CC[C@H](COc2ncccc2B(O)O)C1	2217184118	MWCIVZVILJRHLR-IUCAKERBSA-N	236.080	-0.732	50	10	BBGE	
CN(C)[C@H]1C[C@H](Oc2cc(B(O)O)ccn2)C1	2217190275	MHUCCEQZBOUHLI-MGCOHNPYSA-N	236.080	-0.767	50	10	BBGE	
OB(O)c1cccnc1NCCOCC1CC1	2217204078	DXQRJRWIYUBWFS-UHFFFAOYSA-N	236.080	-0.400	50	10	BBGE	
CN(CCC1CNC1)Cc1cccc(B(O)O)c1	2220071722	LPVGADQKQPOOGY-UHFFFAOYSA-N	248.135	-0.592	50	10	BBGE	
Cc1nc(N(C)CC[C@H]2C[C@H]2C)ncc1B(O)O	2220936039	JNLRQFHSEQVJTG-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
CCN1CCC(Nc2ccc(B(O)O)cn2)CC1	2223642909	OVTCQLRQNVSYKC-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
Cc1cnc(N2CCNC(C)(C)C2)cc1B(O)O	2223644095	DSFYIMNWJAOXQG-UHFFFAOYSA-N	249.123	-0.742	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@]2(O)C[C@@H]2C1	2241321328	CDOROTOIOHISIQ-RQJHMYQMSA-N	225.697	-0.031	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1S(=O)(=O)N1CC(Cl)C1	2241348116	MEXIFXSFQGHEIG-VDTYLAMSSA-N	240.712	-0.781	50	10	BBGE	
O=C(NCCC(F)F)C1(B(O)O)CC1	2241473406	JSVCNIYSSXXAKB-UHFFFAOYSA-N	206.985	-0.235	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(P(C)(C)=O)C1	2241805562	AJBOUFQFOSGDEC-LURJTMIESA-N	219.225	-0.328	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2243347499	MREBRJAOQIYGCN-LURJTMIESA-N	221.021	-0.981	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ccsc1B(O)O	2243359281	PZIYUEFXTJTOEV-XPUUQOCRSA-N	239.105	-0.044	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC[C@H]21)C(=O)C#CB(O)O	2243362060	LLLFVQGCKZLLFU-MYJAWHEDSA-N	221.065	-0.494	50	10	BBGE	
CCC[C@H](CO)CNC(=O)C1(B(O)O)CC1	2243365237	KAHTVTNCHYSCSW-QMMMGPOBSA-N	229.085	-0.482	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1C(=O)C1(B(O)O)CCC1	2243365798	SHHMMZYMTAVUNK-HTQZYQBOSA-N	226.085	-0.668	50	10	BBGE	
C=C(F)CNC(=O)c1c(C)nsc1B(O)O	2243378253	PKKYGGXNYHMZKQ-UHFFFAOYSA-N	244.056	-0.656	50	10	BBGE	
CCCNCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382221	LXUJSPNWZULLLD-DTORHVGOSA-N	228.101	-0.645	50	10	BBGE	
C=C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2243391440	KOOBTNGOPKOABQ-VGMNWLOBSA-N	225.053	-0.737	50	10	BBGE	
CP(C)(=O)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243391773	OCSGMSWVXLWABX-ZKCHVHJHSA-N	247.040	-0.022	50	10	BBGE	
O=C(NCCc1cnoc1)[C@@H]1C[C@@H]1B(O)O	2243392587	VEFLWQLADBZVOY-SFYZADRCSA-N	224.025	-0.804	50	10	BBGE	
Cc1cc(=NC(=O)C#CB(O)O)c(C)c[nH]1	2243401890	YSXJIEBXUOAVIS-UHFFFAOYSA-N	218.021	-0.926	50	10	BBGE	
NCCCC1CN(C(=O)C2(B(O)O)CC2)C1	2243409325	GAHUAEPZJFSROG-UHFFFAOYSA-N	226.085	-0.809	50	10	BBGE	
CCN(C)CCNC(=O)C1(B(O)O)CCC1	2243411563	WJPCBSSJQXGDRT-UHFFFAOYSA-N	228.101	-0.549	50	10	BBGE	
C/C=C/CNC(=O)c1c(C)nsc1B(O)O	2243415677	ZTBVDIGMIUSUMF-ONEGZZNKSA-N	240.093	-0.563	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccncn1	2243419824	HKCULJJPOMNPHH-NKWVEPMBSA-N	221.025	-0.698	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)[C@@H]1C[C@@H]1B(O)O	2243420381	RIRRTTDJFWMCDJ-QKCLAQEOSA-N	225.053	-0.857	50	10	BBGE	
COC[C@]1(C)C[C@@H]1Cn1ccc(B(O)O)n1	2243826288	VHHKHTLJUXIIOF-SCZZXKLOSA-N	224.069	-0.765	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)co1	2244206652	ZOHFILQLJYNVNU-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1cocc1B(O)O	2244213182	AZZJGFFNWGPGPS-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)C1(C)CC1	2244223051	ZAGFJDBCDCNGPG-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
C[C@H]1CCO[C@@H]1C(=O)N1CCC(B(O)O)CC1	2246338129	NVYMWJKTSIZCIX-WPRPVWTQSA-N	241.096	-0.123	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC3(CC3)C2)n1	2247145409	YQFROBDFPKRYIU-UHFFFAOYSA-N	234.064	-0.630	50	10	BBGE	
CC[C@@H](C)N(CC)C(=O)c1cc(B(O)O)n[nH]1	2247783727	KCPKOSYSNTVEAI-SSDOTTSWSA-N	239.084	-0.650	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(C)sc1B(O)O	2247788203	AYSBLUBVPQYIPG-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
CN1CCC[C@]1(C)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247809840	RPFIDRXSYOBBRE-FXPVBKGRSA-N	240.112	-0.550	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(C)cc1B(O)O	2247853908	UIVFTSRKJZXVEO-SECBINFHSA-N	233.076	-0.021	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@H]21)C1(B(O)O)CCC1	2247879650	WTGNCPMSOFXSPD-DJLDLDEBSA-N	239.080	-0.465	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247886676	FDYRURUIMKMDRU-MAUMQABQSA-N	245.059	-0.565	50	10	BBGE	
CCC[C@](C)(O)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247895045	NMMZCSYTCFZDOM-NGZCFLSTSA-N	243.112	-0.093	50	10	BBGE	
Cc1nn(C)cc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247895124	OVLUNCJSULAUNN-IUCAKERBSA-N	237.068	-0.792	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]c1	2247897748	WPGJJSVCBKOGHD-YUMQZZPRSA-N	231.020	-0.823	50	10	BBGE	
CNCC(C)(C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247908927	BWFJJEJDPHRDMS-DTORHVGOSA-N	242.128	-0.399	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)C1(B(O)O)CC1)C(=O)O	2248575816	CBFLFNLLUWHCEB-HZGVNTEJSA-N	241.052	-0.780	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)O)N1C(=O)C1(B(O)O)CC1	2248588042	YHHLQDDIOAMBIB-NKWVEPMBSA-N	241.052	-0.543	50	10	BBGE	
C[C@H](C(=O)N1CCC1)N1CCC(B(O)O)CC1	2249379460	WNORVSAZWMPPMQ-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(C2CC2)C1	2249409593	WDWZPRFZGHORPP-UHFFFAOYSA-N	235.048	-0.559	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cocc1B(O)O	2249420484	VCTMAIFABZFXDF-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cccc(F)n1	2250001275	UOJPYOKJMHQCCT-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
CNCC(C)(C)N(C)c1ccc(B(O)O)cn1	2251046292	GMUYOWNNAYXADA-UHFFFAOYSA-N	237.112	-0.804	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CC2(CC2)C1	2255445643	XJFDMTZNMAFRTR-UHFFFAOYSA-N	249.075	-0.060	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)[C@H]1C[C@H]1C	2255454810	SCWJYCUDGZJQHZ-WEDXCCLWSA-N	248.091	-0.464	50	10	BBGE	
C=CC1(NC(=O)c2ccc(F)cc2B(O)O)CC1	2255498487	SEKUSPJZSPOFAJ-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCc2n[nH]cc2C1	2255583190	LTNKQXLCGKTZJA-DTWKUNHWSA-N	249.079	-0.453	50	10	BBGE	
Cc1cc(C)n(CCCNC(=O)C#CB(O)O)n1	2255679013	DZNHPBHAYJDEIV-UHFFFAOYSA-N	249.079	-0.978	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccoc1B(O)O	2255723242	ZVUGHPXJYRWDLA-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(C(=O)NC2C[C@H]3C[C@@H]3C2)oc1B(O)O	2255787583	ZVFZPKQBQAHYFB-HTQZYQBOSA-N	249.075	-0.204	50	10	BBGE	
C=CCN(CC)C(=O)c1cc(B(O)O)ccc1O	2256018069	WJLGRDNGTAHUKQ-UHFFFAOYSA-N	249.075	-0.280	50	10	BBGE	
CN(C[C@@H]1C=CCC1)C(=O)c1cocc1B(O)O	2258123174	LSXYGXDVRPJTJG-SECBINFHSA-N	249.075	-0.002	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)[C@@H]1CO	2298165480	DZPRMSJRQBUYHS-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375666	UXZXVNUXEPGKJB-JLIMGVALSA-N	241.096	-0.219	50	10	BBGE	
Cc1cnc(N(CCF)CCF)c(B(O)O)c1	2301724893	JDPAHGVUIBLWGH-UHFFFAOYSA-N	244.050	-0.185	50	10	BBGE	
C#C[C@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303835998	GHUBBSPMSVDTMM-QMMMGPOBSA-N	234.039	-0.640	50	10	BBGE	
NC1(CNc2cc(B(O)O)c(F)cn2)CCC1	2303846999	AWGAUWBJXOTVAQ-UHFFFAOYSA-N	239.059	-0.806	50	10	BBGE	
C[C@H](CN(C)C)Oc1cc(B(O)O)c(F)cn1	2303853026	QTOBYKKZUIWMCZ-SSDOTTSWSA-N	242.059	-0.771	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3C=C[C@H]2C3)[nH]c1	2312615011	VUERXXOIKXLOBO-UTLUCORTSA-N	245.091	-0.798	50	10	BBGE	
C[C@@H](O)C1(Nc2ccc(B(O)O)cc2C#N)CC1	2317151675	TYPGBTFZOZJLMF-MRVPVSSYSA-N	246.075	-0.437	50	10	BBGE	
COC(=O)CNC=C(C#N)C(=O)NCC(C)C	2324623176	BPIUYJYVAZNUPX-UHFFFAOYSA-N	239.275	-0.071	50	10	BBGE	
COC1=NS(=O)(=O)N(C)C=C1C#N	39276614	ZGBNUMGRMINIKM-UHFFFAOYSA-N	201.207	-0.371	50	10	BBGE	
O=C(Cl)n1cnc2c(=O)[nH]c(=O)[nH]c21	45787497	MXIPOPWDCHIWBZ-UHFFFAOYSA-N	214.568	-0.380	50	10	BBGE	
C[C@H]1CNCCN1CC(=O)NNc1ccccn1	54373671	YQIVLSBVXXYIBV-JTQLQIEISA-N	249.318	-0.182	50	10	BBGE	
CCN(CCC(=O)NN)C1CCNCC1	82470775	UNKBVEGNUGRWQX-UHFFFAOYSA-N	214.313	-0.560	50	10	BBGE	
COCCNC(=O)CN(C)C[C@@H](Cl)C#N	139517660	XZALCUYONDXJDS-QMMMGPOBSA-N	233.699	-0.188	50	10	BBGE	
CN(C)NC(=O)c1ccc(C#CCO)cn1	149832220	OZFIAQQQTYXMTE-UHFFFAOYSA-N	219.244	-0.368	50	10	BBGE	
C[C@@H](Cl)C(=O)NCc1cc(=O)[nH][nH]1	170277896	GUSBZUVDDJFGHS-SCSAIBSYSA-N	203.629	-0.054	50	10	BBGE	
CCn1ccn(Cc2ccc(B(O)O)cc2)c1=O	211334444	IYYQKVZHUDLAJZ-UHFFFAOYSA-N	246.075	-0.602	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](COC[C@@H]2CCCO2)O1	216280029	BRNXMQXVAOUSJO-GUBZILKMSA-N	244.291	-0.281	50	10	BBGE	
COC[C@@H](CCl)NCc1nnn(C)n1	228858929	OKXODWCMLZGAJX-ZCFIWIBFSA-N	219.676	-0.447	50	10	BBGE	
CCOC[C@H](C)OC[C@H]1CC[C@@H](C(=O)NN)O1	233772859	YAXKMRCBABXQNZ-AEJSXWLSSA-N	246.307	-0.035	50	10	BBGE	
COC(=O)[C@H]1CSC/C1=N\NC(N)=O	238334971	NPMSYBINGRBHIN-VYTKUIDOSA-N	217.250	-0.453	50	10	BBGE	
NNC(=O)c1ccc(NC(N)=S)cc1	238560664	ULGLJCMKDSGCQS-UHFFFAOYSA-N	210.262	-0.054	50	10	BBGE	
C[C@H](O)Cc1ccc2c(c1B(O)O)OCO2	258425018	MBWAEFFYCWKEQB-LURJTMIESA-N	224.021	-0.982	50	10	BBGE	
O=C(CCl)NCC(=O)NCC1CCOCC1	258613303	CEFBDPTZJAKLJN-UHFFFAOYSA-N	248.710	-0.116	50	10	BBGE	
COC(=O)C(=O)N/N=C1/CCSC1	306422525	DUAYCQCVDVVNPJ-YVMONPNESA-N	202.235	-0.232	50	10	BBGE	
NNc1ccc(Br)cc1B(O)O	306565789	RRJGROZIGVNLAE-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
CCOc1cccc(CCC(=O)O)c1B(O)O	396110329	PNWRMXXEGNAFOZ-UHFFFAOYSA-N	238.048	-0.218	50	10	BBGE	
C[C@H]1COCCCN1C[C@@H](C)C(=O)NN	398906631	GCLZVUBIQPHJME-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2cccc(F)n2)CO1	495990721	QSGAIVLCEBBRMM-RXMQYKEDSA-N	240.194	-0.228	50	10	BBGE	
O=C1NC[C@H](C(=O)O)C[C@H]1Br	504224590	NZHYGHXKRGGLAR-QWWZWVQMSA-N	222.038	-0.029	50	10	BBGE	
Cn1cc(-c2nc3c(B(O)O)ccnc3[nH]2)cn1	520895250	BFPXXAUYIVMQKH-UHFFFAOYSA-N	243.035	-0.962	50	10	BBGE	
OB(O)c1ccn([C@H]2C[C@H]3CC[C@H]2C3)n1	575470686	JQHVGRCFGXOTLQ-CIUDSAMLSA-N	206.054	-0.076	50	10	BBGE	
O=C(CCCl)N[C@@H]1C(=O)OC[C@H]1O	675079008	DIWASVCHXNUOGG-XINAWCOVSA-N	207.613	-0.982	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C(F)(F)F)CC1	686841344	LNSDKRQZJYVZOD-ZCFIWIBFSA-N	241.213	-0.371	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H](C)[C@@H]1O	688123087	UMNSLBGAMVTHKS-MYJAWHEDSA-N	243.351	-0.049	50	10	BBGE	
C[C@H](O)[C@H]1CCCCN1CC(=O)NN	688640291	PAQYTKTXYVNEEN-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
CCN(CCN(C)C)CC(C)(C)C(=O)NN	688913425	YYCNOVCDZZVAQN-UHFFFAOYSA-N	230.356	-0.114	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@@]12COC[C@@H]1C2	689285495	GUAMNVVIQBZOKR-UMNHJUIQSA-N	241.335	-0.031	50	10	BBGE	
CN(CCCl)CCN(C)Cc1nnn(C)n1	691268445	OKLZNFSKBJWVIU-UHFFFAOYSA-N	246.746	-0.188	50	10	BBGE	
CN1CCN(C[C@H](Cl)C#N)[C@H](CO)C1	699455069	HLJWVOZFEBCQRI-BDAKNGLRSA-N	217.700	-0.274	50	10	BBGE	
Cc1nc(CC(=O)NCB(O)O)cs1	702022322	VGVFAGNTXJUWDK-UHFFFAOYSA-N	214.055	-0.878	50	10	BBGE	
CCn1nnnc1CN[C@@H](CCl)CN(C)C	716670944	MAVBKXRZTUCIRU-QMMMGPOBSA-N	246.746	-0.048	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc(N)ncn2)CC1	723354837	HQFAHSIAGJFSIR-UHFFFAOYSA-N	247.258	-0.451	50	10	BBGE	
C[n+]1cc(N[S@@+]([O])(=O)CCCl)[nH]n1	725598438	AXCSCJUOGREBHN-CYBMUJFWSA-O	225.681	-0.355	50	10	BBGE	
C[C@@H](CC(=O)NNC(=O)CO)n1cccc1	753436697	BPRJLTDGAQTGBT-QMMMGPOBSA-N	225.248	-0.421	50	10	BBGE	
Cn1cc(C(=O)N(N)c2ncccn2)cn1	757129308	VMUMCJJHRVDXJR-UHFFFAOYSA-N	218.220	-0.269	50	10	BBGE	
CC(C)CC(=O)NNC(=O)N[C@H]1CCNC1=O	852411728	VAXZFJYPOWTLIM-ZETCQYMHSA-N	242.279	-0.749	50	10	BBGE	
CC[C@H](O)CC(=O)NNc1nnc(C)n1C	856046062	UIEBXSCBROJNBW-ZETCQYMHSA-N	227.268	-0.272	50	10	BBGE	
C[C@H](CCl)N[C@H]1C[C@H]2NNC(=O)N2CN1	953000232	MFYFWYNBMQZHBR-VQVTYTSYSA-N	233.703	-0.664	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNc1nnc(C)c(O)n1	1331337704	JHWNXPQBORASCC-VIFPVBQESA-N	239.235	-0.734	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc(C(C)=O)c1	1442139525	NHZTYBDSTZJJDI-UHFFFAOYSA-N	236.231	-0.142	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)Cc1nc[nH]n1	1463826796	GMEHAYUCBXMBJI-UHFFFAOYSA-N	241.251	-0.097	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1	1540502330	UEKOLVQKIPIDTP-SECBINFHSA-N	236.275	-0.130	50	10	BBGE	
CN(C)C(=O)NNC(=O)[C@H]1CC1(F)F	1625912719	QHUXSIWILMLKBS-SCSAIBSYSA-N	207.180	-0.056	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)C[C@H]1CO	1877821055	QKJUMXMTJOMURK-XHNCKOQMSA-N	218.684	-0.065	50	10	BBGE	
NC[C@H](NC[C@H]1C[C@@H]1Br)C(=O)O	1881362951	PCPAXPRZYZHUTA-SRQIZXRXSA-N	237.097	-0.229	50	10	BBGE	
O=C(CCCl)NC1([C@@H](O)CO)CC1	1882988631	MIUTVNXEMXXMQA-LURJTMIESA-N	207.657	-0.383	50	10	BBGE	
COC[C@H](O)CNC(=O)[C@@H]1C[C@H]1Cl	1883633785	CGXYTUAZBVYIME-FSDSQADBSA-N	207.657	-0.263	50	10	BBGE	
COC[C@H]1C[C@H]1CN(C)CC(=O)NN	1888107171	WHGYBGJQPPYJTJ-JGVFFNPUSA-N	201.270	-0.809	50	10	BBGE	
C[C@@H]1C[C@@H]1COc1ncc(B(O)O)cc1F	1897621929	UYILOJYYTCOHGJ-RNFRBKRXSA-N	225.028	-0.065	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2[C@@H](O)C[C@H]2C1	1898238179	PJYWFHDGGXLJJL-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H](C)CN1	1901376521	BMJBEXYNXMXXOC-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
COC[C@H](C)C(=O)N1CC[C@@](C)(B(O)O)C1	1902518008	NWWPLCYCTZNQBC-WCBMZHEXSA-N	229.085	-0.266	50	10	BBGE	
NNC(=O)c1coc(CN=S2(=O)CCC2)n1	1913869100	FMAKZKIXFFMQNJ-UHFFFAOYSA-N	244.276	-0.350	50	10	BBGE	
CN(CCOC1CC1)Cc1ccccc1B(O)O	1914541312	DUEYLUOSBSSJQX-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ccc(CN2CCC3(COC3)C2)cc1	1915571441	PVOORAFNQJXZAA-UHFFFAOYSA-N	247.103	-0.411	50	10	BBGE	
CCN(CCOCC(=O)NN)CC1CC1	1928179963	VZQBQZNYVHGAAW-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
COC[C@@H](C(=O)NN)N(OC)C(C)C	1928666225	WSHGTSCUZVKXJM-ZETCQYMHSA-N	205.258	-0.737	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCCn2cncn2)C1	1928755940	QBKVNCGRIPIKDV-DTWKUNHWSA-N	229.715	-0.211	50	10	BBGE	
CN(CCN(C)S(C)(=O)=O)C(=O)CCl	1929086200	DLYPVOKTEQXBLZ-UHFFFAOYSA-N	242.728	-0.425	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H](O)C2	1934049755	PHHATSFRLVCSQH-LURQLKTLSA-N	213.281	-0.648	50	10	BBGE	
CC[C@]1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1937984062	LSBXKITXOFRDNE-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
CC[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1O	1938247959	ZAYZAAAANYWRNY-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@@H]1COCCO1	1940287251	KTZZNHVYIUDEFG-LPEHRKFASA-N	245.323	-0.652	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1941093815	TXVCVIRETUWAOG-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)CCOCC(=O)NN	1941772883	OWKRFQFUAZPCDL-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
COc1ccc(CN2CCCO2)cc1B(O)O	1942621252	QBQHSWBXKBNTNC-UHFFFAOYSA-N	237.064	-0.488	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCc1ncccn1	1943085306	SBAMAVSQTUKWLT-VIFPVBQESA-N	237.307	-0.281	50	10	BBGE	
CCc1nn([C@H]2CCOC2)c(CC)c1B(O)O	1944691775	KIAQSPITBIVMLR-QMMMGPOBSA-N	238.096	-0.351	50	10	BBGE	
NNC(=O)C1(CN2CC(OCC(F)F)C2)CC1	1945882776	MUIQCQGGUXKGKB-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
CN(Cc1cn(C)nn1)CC1(C(=O)NN)CC1	1945883507	ZZERRKOZLSOWFM-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(CCO)C2)o1	1946934804	YUVCFIGBVBXUMQ-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
N#C[C@H](Cl)CN1CCNC[C@@H](O)C1	1954215836	QQTOQVFDDHVHQY-JGVFFNPUSA-N	203.673	-0.617	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@H](C)O	1954258822	IOZGQELRGDEAPM-NTSWFWBYSA-N	224.351	-0.178	50	10	BBGE	
CN(c1nc(B(O)O)cs1)C1CSC1	1956965570	LYZZWZVMXTYLAV-UHFFFAOYSA-N	230.123	-0.626	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)[C@H](C)C(=O)NN)CO1	1958050402	GDAGJLDXGPAORT-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
CCC[C@@H](N=[S@](C)(=O)N(C)C)C(=O)NN	1960619512	ZJWVFHWBKHJCAT-MLXNANBUSA-N	236.341	-0.281	50	10	BBGE	
OB(O)c1cccnc1N1CCCCO1	1961696922	TXEALWMMESMTRP-UHFFFAOYSA-N	208.026	-0.707	50	10	BBGE	
C[C@]1(F)CC[C@@H](NC(=O)C(=O)NN)CC1	1962144293	XYUZVPAWPDPOSF-KZCWHLCOSA-N	217.244	-0.237	50	10	BBGE	
C[C@@H](CCC(F)F)N(C)C(=O)C(=O)NN	1974985629	ZQPYPORKWXTTJS-YFKPBYRVSA-N	223.223	-0.132	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C[C@@H](C)C(=O)NN)C1	1979551690	RHSJKULRHIXDAJ-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
COCCN([C@H]1CCSC1)[C@H](C)C(=O)NN	1980767768	IRODJLHYUDWYDH-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
CCN(C)C[C@H]1CCN([C@@H](C)C(=O)NN)C1	1980792039	ZMQXCECZOKKZRN-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
CP1(=O)CCN(CCOCC(=O)NN)CC1	1981160379	JXDBVHYWSJCECE-UHFFFAOYSA-N	249.251	-0.699	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@](=O)C[C@@H]1C	1981191482	JZDYQIYXTDXJGE-LADDVGSOSA-N	247.364	-0.546	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@H](CF)C1	1981247751	IGJVSTARQGZOLD-RKDXNWHRSA-N	233.287	-0.329	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H](F)C1	1981469513	UFFZFLYSJZXQDZ-SECBINFHSA-N	224.044	-0.382	50	10	BBGE	
NNC(=O)N[C@@H]1CCCN([C@@H]2CCOC2)C1	1981607026	GBAJSIALTXQFIZ-RKDXNWHRSA-N	228.296	-0.587	50	10	BBGE	
C#CCCN(CC(=O)NNC(C)=O)C1CC1	1982984286	FSLIKQPTPZNMBK-UHFFFAOYSA-N	223.276	-0.359	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@@H]1CCN2[C@H](C)CC(=O)NN	1984069481	NFRUWJOACBOHHB-UTINFBMNSA-N	227.308	-0.136	50	10	BBGE	
C[C@H]1CN(CCC(F)(F)C(=O)NN)CCO1	1984130189	PFHNSHNXUODTSW-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CO[C@H](C)COCc1cccc(B(O)O)c1	1986049911	YFQXPSKZRQKKGP-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
CCn1nnnc1CNC(=O)C=CC(=O)Cl	1991648292	MZOVOHHYICLPNY-UHFFFAOYSA-N	243.654	-0.369	50	10	BBGE	
C=C(CN(CC)[C@H]1CCN(CC)C1)B(O)O	1992144895	DCZNTSBCEIHQGX-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
CC#CCC(=O)Nc1cccc(B(O)O)c1	1995461476	LNPSBHUAACTHDM-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
CC(C)COC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1996707014	DENDCFZHJQLKSQ-MWLCHTKSSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nc(C2CC2)no1	1997739556	XTNPQVRGKWMLFC-LURJTMIESA-N	239.279	-0.243	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCC#N)CCC#N	2003736492	PBMMDRPAOZWRNU-SECBINFHSA-N	239.279	-0.879	50	10	BBGE	
COC[C@@H](C)CN(C)c1ccc(B(O)O)cn1	2004918372	KWXOEINGCMWCPG-VIFPVBQESA-N	238.096	-0.520	50	10	BBGE	
CCN(CC(F)F)c1ncc(B(O)O)c(C)n1	2004972367	DVTUGJALYMTMMF-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
Cc1cc(Sc2ccc(B(O)O)cn2)n(C)n1	2005007510	IAEFINKIFOYSBU-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)CCO1	2005014364	KGVXURUOORFNBU-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
C[C@@]1(CCN2CC(=O)OC(=O)C2)COCCO1	2005978539	VRMXEBPXWMAGNR-LLVKDONJSA-N	243.259	-0.433	50	10	BBGE	
CC1(N2CCN(CCCC(=O)NN)CC2)CC1	2009280834	WJVMIMPYTILNKV-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@]2(C1)C[C@@H](O)C2	2011296648	DBGLQIORPIFLLN-BFLSOPEQSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012903608	RYOPZJROVBZIAE-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)CC(O)C2	2013331000	XKBLSSLCMJNBFS-SNVBAGLBSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)N1C[C@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	2017294930	JIAAVJKDUUBSJI-QNSHHTMESA-N	240.307	-0.940	50	10	BBGE	
C=CC1(O)CN(Cc2cc(C(=O)NN)co2)C1	2018884042	RGVVHWVFPJNXKK-UHFFFAOYSA-N	237.259	-0.384	50	10	BBGE	
CCc1nccn1Cc1nn(C)cc1C(=O)NN	2050244390	XRJWNQGVFBTKCZ-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC1CCCC1	2055730693	FERZROYOXDPMNY-UHFFFAOYSA-N	246.079	-0.304	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2CCCC[C@H]21	2058156918	WWOLRTZBLLVQLM-GDNZZTSVSA-N	247.103	-0.036	50	10	BBGE	
COc1cc(F)cc(B(O)O)c1[N+](=O)[O-]	2060094227	OSLDNXBXHCUJLN-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
COc1c(B(O)O)ccc(OC(F)F)c1C=O	2060325296	CNCPJJJOXLVXMG-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@@]2(C)C[C@@H]12	2065690875	BYIFODVTUINHKC-XRNSZHNASA-N	247.107	-0.219	50	10	BBGE	
N#C[C@@H]1CCN(C(=O)N[C@H]2CCC=C2B(O)O)C1	2076081318	HRFIELAJMUFVAR-WPRPVWTQSA-N	249.079	-0.358	50	10	BBGE	
OB(O)c1cccc(CN2CCCCN2)c1	2211135879	VEFFJNMFBAKLLB-UHFFFAOYSA-N	220.081	-0.533	50	10	BBGE	
C[C@]1(OCc2nscc2B(O)O)CCOC1	2211140576	OLOKEAQSTOHOGO-VIFPVBQESA-N	243.093	-0.482	50	10	BBGE	
CCN1CC[C@H](O[C@H](COC)C(=O)NN)C1	2212259265	COPLZDBBOLNJRJ-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CO)N(C)CC1(C(=O)NN)CCCC1	2212448441	NVYYYTSDBWZQGI-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccc(NC2CC(F)(F)C2)nc1	2212614611	FOICCRODDUWBFN-UHFFFAOYSA-N	228.007	-0.029	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1OC[C@H]2CCCC[C@@H]21	2213188331	FCODESASLAJGAT-VGMNWLOBSA-N	241.291	-0.702	50	10	BBGE	
CC(C)(O)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215775792	IYTHDCUUBJCPJC-PSASIEDQSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CCNC2=O)CCCCC1	2216863302	JUEGDLXJOICFNS-UHFFFAOYSA-N	240.307	-0.048	50	10	BBGE	
COCCN(C)CC1(C(=O)NN)CCOCC1	2216882018	SMRFQQNZOUQBTP-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CC=CCO2)nc1	2217176775	AGPAQQNVPDXGTF-SNVBAGLBSA-N	234.064	-0.482	50	10	BBGE	
CN(CC(C)(C)CO)c1ccc(B(O)O)cn1	2217178511	WWIMQGHLJWWZSJ-UHFFFAOYSA-N	238.096	-0.784	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCOC(F)F)c1	2217180848	WISQUNQXQPIGSN-UHFFFAOYSA-N	246.022	-0.776	50	10	BBGE	
C#CC1CC(Nc2cc(B(O)O)c(C)cn2)C1	2217182625	FSEXCNHOTGKNNH-UHFFFAOYSA-N	230.076	-0.106	50	10	BBGE	
Cc1cnc(N[C@H]2C=CCNC2)cc1B(O)O	2217183079	IYAAVTNWOOHMGF-VIFPVBQESA-N	233.080	-0.990	50	10	BBGE	
CC1(CNc2nccc(B(O)O)c2F)COC1	2217184193	QSBQSKPKFVJUOL-UHFFFAOYSA-N	240.043	-0.651	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Nc1cc(B(O)O)ccn1	2217205275	WVDOHIKDSZBUDB-ZJUUUORDSA-N	235.096	-0.557	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCn2ccnc2C1	2221565242	BSKCOUPMJVCRRT-VHSXEESVSA-N	249.318	-0.285	50	10	BBGE	
Cn1ncc2c1CN(C[C@@H]1CC[C@H]1C(=O)NN)C2	2221567268	NWEPSUUHXUGUND-WCBMZHEXSA-N	249.318	-0.248	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H]2C[C@H]1CN2	2223670022	RODYWZNLVHDQOF-QXEWZRGKSA-N	247.107	-0.686	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@H](O)[C@@H](O)CC1	2241588922	IRLBNTOSYXYHKY-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@H](C)C(=O)NN	2242162282	KWLNRYPIUYDZFZ-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
CO[C@@H](CCl)CNCCS(C)(=O)=O	2242448672	HOVLVOZPTOLYHF-ZETCQYMHSA-N	229.729	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)cc1O[C@H]1CCCO1	2242834905	XATYDSKORBTLLA-JTQLQIEISA-N	223.037	-0.415	50	10	BBGE	
CSC1CCC(NC(=O)C#CB(O)O)CC1	2243349729	PTBYRKDADUCGJC-UHFFFAOYSA-N	241.121	-0.208	50	10	BBGE	
C[C@H](NC(=O)c1occc1B(O)O)C(F)F	2243364304	UZYLXKIYTHJFAS-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)[C@H]1C[C@@H]1B(O)O	2243392697	WHSYIKMTMBEFPN-YUMQZZPRSA-N	223.041	-0.769	50	10	BBGE	
O=C(NCc1ccno1)C1(B(O)O)CCC1	2243397600	FMEOBWSLRQAJRC-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1CCC1(C)C	2243401423	QWSJVBOJZSCROJ-RKDXNWHRSA-N	223.081	-0.057	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](CO)C1)C1(B(O)O)CC1	2243410558	DGLKEUAAZJOPAU-JGVFFNPUSA-N	227.069	-0.729	50	10	BBGE	
Cc1sc(C(=O)N2CC(F)C2)cc1B(O)O	2243413456	GTNLOAIAOAVHHC-UHFFFAOYSA-N	243.068	-0.470	50	10	BBGE	
O=C(c1cc(B(O)O)sn1)N1CC[C@H]2C[C@@H]21	2243414814	IPXBFMVNJUTVIX-FSPLSTOPSA-N	238.077	-0.943	50	10	BBGE	
Cc1cc(B(O)O)c(CNC(=O)C(F)F)s1	2243665242	QOKBFWVJCLEAKG-UHFFFAOYSA-N	249.047	-0.382	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2244533505	WNCCMVVGEIFNTI-BBBLOLIVSA-N	221.065	-0.136	50	10	BBGE	
CC[C@H](CCO)Sc1ncc(B(O)O)cn1	2245256870	JEIUGNBESAATEZ-MRVPVSSYSA-N	242.109	-0.591	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247721157	AMWZCIAUWKBNFX-LURJTMIESA-N	241.052	-0.967	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1ccoc1B(O)O	2247737422	GIBYGCYMQPZPKZ-UHFFFAOYSA-N	235.048	-0.509	50	10	BBGE	
CC#CCCCNC(=O)c1coc(B(O)O)c1	2247737889	LJJMVXUTPRHEMQ-UHFFFAOYSA-N	235.048	-0.507	50	10	BBGE	
CCON(C)C(=O)c1cc(C)cc(B(O)O)c1	2247752851	WZTKYPGVAUCOQW-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1CO	2247756082	LCNLMYIAXVCUDO-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
C[C@H](F)CCNC(=O)c1ncccc1B(O)O	2247769802	AQGHKKAQKNTLFN-ZETCQYMHSA-N	240.043	-0.761	50	10	BBGE	
CCC[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783886	MKOUJWUTHWMHHF-RQJHMYQMSA-N	237.068	-0.992	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787115	LANGQYLIASFUKG-QCLAVDOMSA-N	240.112	-0.375	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@H]1C1CC1	2247791901	PMHPDUOSXPAFAQ-BBBLOLIVSA-N	239.080	-0.513	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCC[C@H]1O	2247799170	AEVXTPMCYNKZRR-XFWSIPNHSA-N	241.096	-0.389	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CCC[C@@H]1COC2	2247799902	JJFSKDNGRZFOLF-UTINFBMNSA-N	239.080	-0.371	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC2(F)CC1C2	2247854254	ZOYZXNPPZKMJQW-UHFFFAOYSA-N	239.011	-0.714	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC2(CC(O)C2)C1	2247886394	BFLDTNATIQDHFK-VCZAYRLQSA-N	239.080	-0.777	50	10	BBGE	
CN(c1nccnn1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247894229	DPINEYZADCGMLE-LJGSYFOKSA-N	236.040	-0.913	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247945732	AHYZKVHOIDBWDI-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
CC1(C)OCCN(CCCC(=O)NN)[C@@H]1CO	2247990516	USKLCEOKJRBDDQ-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1CCN(CCNC(=O)C2(B(O)O)CC2)C1	2251734616	XOAIDMZCGKZBPE-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccncc1B(O)O	2255453075	OMIDFJSTRZTTIW-MWLCHTKSSA-N	246.075	-0.710	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1ccc(B(O)O)o1	2255463527	KCHQNPZLUIMTFD-IUCAKERBSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@H]2C=C[C@H]1C2	2255467507	OFFIWDBXOVNDMX-SCZZXKLOSA-N	246.075	-0.515	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ncccc1B(O)O	2255516368	LAXNODNAXHSJNQ-VIFPVBQESA-N	248.091	-0.224	50	10	BBGE	
O=C(N[C@H]1[C@H]2CCCC[C@H]21)c1cc(B(O)O)n[nH]1	2255552087	GOEVJGNKZMZLPN-LYIWLLOFSA-N	249.079	-0.992	50	10	BBGE	
Cc1cnc(C(=O)NC2[C@H]3CC[C@H]23)c(B(O)O)c1	2255556441	PEWJXNUIXCYGJN-YUMQZZPRSA-N	246.075	-0.792	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2255672787	ABHZYJHCQCKLLX-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
C=CC(C)(C)CNC(=O)c1nccnc1B(O)O	2256057761	SPADKCYOQBTAQI-UHFFFAOYSA-N	249.079	-0.902	50	10	BBGE	
CC#CCC(=O)N1CCc2cccc(B(O)O)c21	2256675813	TUPDAOGJWITWLU-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164784	INJZRQQDZCGROP-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
CC[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298370236	SQALQJDTJOOJTN-WCABBAIRSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2CC(O)C[C@H]2C1	2298377146	GHTNPODTDLUTGJ-ZRUAGYDASA-N	239.080	-0.921	50	10	BBGE	
CN[C@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301452357	GRGSKAKTBAFYDJ-MRVPVSSYSA-N	236.080	-0.801	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C[C@H]1CCO1	2302410912	PVZCEYPVBCXEBE-GFCCVEGCSA-N	235.092	-0.413	50	10	BBGE	
C[C@H]1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1O	2302568536	RNPHNJNLVCLHIH-VLEAKVRGSA-N	241.335	-0.295	50	10	BBGE	
Cn1cc(C(=O)N2CC[C@@](C)(B(O)O)C2)cn1	2303113278	ZNASHAMUXFWREE-SNVBAGLBSA-N	237.068	-0.501	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3CCO[C@H]32)ncc1F	2303834621	IZUHYNUGTDUMNA-UAINPKIQSA-N	238.027	-0.900	50	10	BBGE	
N#CC1(O)CCN([C@@]2(C(=O)O)CC[C@H]2N)CC1	2305449259	XZWMAPNMZIIMPH-KCJUWKMLSA-N	239.275	-0.719	50	10	BBGE	
CCNC(/N=C\N)=C(\C#N)C(=O)OCC	38974529	YDMIODMASHAOEK-FPLPWBNLSA-N	210.237	-0.119	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@@H](C)C(=O)N(C)C	42576107	BKMHWPOEYMPMJU-WDSKDSINSA-N	249.698	-0.084	50	10	BBGE	
C[C@H](Cc1ccccc1)NC(=O)C(=O)NN	62191511	OSEPIUCUXCVHKQ-MRVPVSSYSA-N	221.260	-0.276	50	10	BBGE	
NNC(=O)CCCCCn1ccc(C(N)=O)n1	70327578	PRZANQGUJFTVET-UHFFFAOYSA-N	239.279	-0.468	50	10	BBGE	
CCN(CC(=O)NN)C[C@@H]1CCCO1	82469634	NBWCRQIFTOLLFX-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CCN1CCC(N(C)CC(=O)NN)CC1	82470121	XJJLEBXCACLTFU-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
C[C@H](CCC(=O)NN)Sc1n[nH]c(N)n1	82472949	GZEFKCYFAOIOMR-SCSAIBSYSA-N	230.297	-0.362	50	10	BBGE	
CNC(=O)c1ccn([C@@H](C)CC(=O)NN)n1	82878020	QPCUMANAILIBSK-LURJTMIESA-N	225.252	-0.816	50	10	BBGE	
Cc1nn(C)c(C)c1OC(F)(F)C(=O)NN	83893098	OTGIDKBGQVBPLN-UHFFFAOYSA-N	234.206	-0.002	50	10	BBGE	
CC(C)(CN1CCCC[C@H]1CO)C(=O)NN	86597937	YSACRGZCHPSSML-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CC(C)OCCN(C)C[C@H](C)C(=O)NN	87980005	FOHGBOJXFMBFJV-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
NNC(=O)c1ccccc1CN1CC[C@@H](O)C1	110580494	KCRDURWUHXIOJG-SNVBAGLBSA-N	235.287	-0.143	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C(=O)CCCl	130221039	TXXVUFVNNRPWBM-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)CCS1	133231287	MPIGPESUVSKXMB-SSDOTTSWSA-N	203.311	-0.196	50	10	BBGE	
NNC(=S)NNC(=O)c1ccccc1	142157737	PTGTZRYWKYSESS-UHFFFAOYSA-N	210.262	-0.331	50	10	BBGE	
NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160531169	QDTGBFXJBFNXBV-RNFRBKRXSA-N	212.253	-0.830	50	10	BBGE	
COc1ccc(B(O)O)c2ncccc12	199454232	SOZNCYNKTYGCOK-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
OB(O)c1cnc(NCCc2ccccc2)nc1	204266632	RUYBKNFQWMDCQL-UHFFFAOYSA-N	243.075	-0.189	50	10	BBGE	
CO[C@H](CNC(=O)NN(C)C)CC(=O)O	232143359	AZZLJHSYOTVHNX-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
COC(=O)[C@@H](Cl)CNS(C)(=O)=O	234570807	HKYRVXLCRXJSOA-BYPYZUCNSA-N	215.658	-0.684	50	10	BBGE	
COc1cccc(CCNC(=O)C(=O)NN)c1	234862402	JBFQZDMMHGSERK-UHFFFAOYSA-N	237.259	-0.656	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H](C)C(N)=O	235438917	ZGANFLBQALQWRV-IMJSIDKUSA-N	223.070	-0.240	50	10	BBGE	
CC1=C(C(N)=O)C[C@@H]2C(=O)OC(=O)[C@H]2C1	238189874	PQMCKFYYTMYKFT-BQBZGAKWSA-N	209.201	-0.102	50	10	BBGE	
N#Cc1oc(NNC(N)=O)c(C#N)c1C#N	238591657	GSXJDFOZELFTFM-UHFFFAOYSA-N	216.160	-0.110	50	10	BBGE	
N[C@@H](CCC(=O)O)C(=O)NCCCl	238665957	ZWTXHFBODMSTSQ-YFKPBYRVSA-N	208.645	-0.467	50	10	BBGE	
O=CO[C@@H](CCl)[C@@H](Cl)C(O)O	238695362	ITSPVSHANOEWOB-IUYQGCFVSA-N	203.021	-0.315	50	10	BBGE	
COC(=O)Cc1cc(OC)ccc1B(O)O	309113900	FFYRLUKPDNXTCU-UHFFFAOYSA-N	224.021	-0.910	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](CO)[C@@H]1C	385611250	FGXQWUYDBNZWEI-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CN2CCC1CC2	393758556	YNDDOXWXCKIXFB-SNVBAGLBSA-N	226.324	-0.608	50	10	BBGE	
Cc1nccn1-c1cc(B(O)O)c(F)cn1	393782985	RBDHCLNXVHVGOA-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C=CCNC(=O)CNC(=O)NC(=O)CCCl	393829010	VURKXXSKOQYUND-UHFFFAOYSA-N	247.682	-0.257	50	10	BBGE	
CN1CC=CN(c2ccc(B(O)O)cc2)C1=O	394688117	MOHSAJGELKRCRT-UHFFFAOYSA-N	232.048	-0.248	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C)(O)C1	394982741	SSQJTKYAUBWAKI-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1CCCCC1	405147431	OCUVMAHVWMKBNA-UHFFFAOYSA-N	249.079	-0.221	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)NC1CCC1	405158492	ZIQUQTAPKIPILF-UHFFFAOYSA-N	235.052	-0.565	50	10	BBGE	
C=CC[C@@H](CO)NCc1cccc(B(O)O)c1	585039837	WJFNQBVFIBTEBN-LBPRGKRZSA-N	235.092	-0.607	50	10	BBGE	
CC(C)N1CC[C@@H](NC(=O)NN)C1=O	606275018	CPDHWRLJYYUBHN-ZCFIWIBFSA-N	200.242	-0.831	50	10	BBGE	
C[C@@H]1N(CC(=O)NN)CCOC1(C)C	606275471	CIJSZGKORNWUQB-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
CN(CCC(=O)NN)C[C@@]12CCCN(CC1)C2	691491281	SVRCLSHKDQTTEZ-GFCCVEGCSA-N	240.351	-0.216	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CO[C@@H](C2CC2)C1	691778790	IWICAKMBJSGNCN-RKDXNWHRSA-N	213.281	-0.524	50	10	BBGE	
NC(=S)NNC(=O)CCn1cccn1	700888781	GAMYDZLREMPUJL-UHFFFAOYSA-N	213.266	-0.862	50	10	BBGE	
OC[C@H]1C[C@@H](O)CN1CCOCCCl	704651397	KTDMRLQVIGZQFF-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCCN(C)C1)C(=O)NN	705223119	NXOYYXHDGLGKIF-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
C[C@H]1CN(CCn2cc(C(=O)NN)nn2)[C@H]1C	706899290	PVOAFBLZAWTSDZ-YUMQZZPRSA-N	238.295	-0.778	50	10	BBGE	
OB(O)c1cccc(OCCN2CC[C@H]3C[C@H]32)c1	707084418	FPUHRTXLGXXEGP-GXFFZTMASA-N	247.103	-0.161	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCSC1	718256620	SRVJIMRNWALQDC-ZETCQYMHSA-N	203.311	-0.339	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C)CC1	720478705	ZLTSUWUUHUTECG-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC(=O)NNC(=O)c1cnn2ccc(C)nc12	727847662	OSUHDNJUWYKAPR-UHFFFAOYSA-N	233.231	-0.181	50	10	BBGE	
Cc1ccc(CCC(=O)NNC(=O)CO)o1	753452255	MXTNVQMWNJOXIV-UHFFFAOYSA-N	226.232	-0.340	50	10	BBGE	
C[C@@H]1COCC[C@@H]1C(=O)NNC(=O)CN(C)C	769924436	DLRXVSXCXLQTCZ-BDAKNGLRSA-N	243.307	-0.632	50	10	BBGE	
COCCN(C)NC(=O)Cc1cncnc1	816561055	JXQMWOXQDFABKO-UHFFFAOYSA-N	224.264	-0.372	50	10	BBGE	
CNC(=O)NNC(=O)C(C)(C)n1cccn1	823424801	HFJLCSGSYKWPIL-UHFFFAOYSA-N	225.252	-0.422	50	10	BBGE	
O=C(CCCF)NNC(=O)[C@@H]1COCCO1	829395565	VJDYPANXSDLQFC-ZETCQYMHSA-N	234.227	-0.701	50	10	BBGE	
O=C(NN=c1cc[nH]cc1F)[C@@H]1C[C@H]1[N+](=O)[O-]	857320787	ADCIHBVHVRGNAS-SVGQVSJJSA-N	240.194	-0.249	50	10	BBGE	
CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn[nH]c1	863153581	WWOFZRHLIDCORD-MRVPVSSYSA-N	235.247	-0.472	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)NC1CC1	930720363	PPUGOIHBLVSTEF-RNFRBKRXSA-N	213.237	-0.486	50	10	BBGE	
Cc1cc(C)nc(NC(=O)C(=O)NN)n1	1088740490	HECABQQFVAROLY-UHFFFAOYSA-N	209.209	-0.978	50	10	BBGE	
O=C1C[C@H](C(=O)NNc2ncc(F)cc2F)N1	1141811073	XKPZJRDPEXXQRO-ZCFIWIBFSA-N	242.185	-0.309	50	10	BBGE	
Cc1nnc(CC(=O)NN(C)[C@@H](C)CO)o1	1143340315	CAMJBRWRLWVSRF-LURJTMIESA-N	228.252	-0.736	50	10	BBGE	
CC(C)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2	1154493052	UINPYGGZNONBLG-UHFFFAOYSA-N	248.246	-0.279	50	10	BBGE	
CNC(=O)NNC(=O)COC1CCN(C)CC1	1262283028	FMQWJPIPDXWYDO-UHFFFAOYSA-N	244.295	-0.943	50	10	BBGE	
CCN(CCO)NC(=O)c1ccc(CO)nc1	1299915875	BIPKWJLEGXVRAF-UHFFFAOYSA-N	239.275	-0.467	50	10	BBGE	
COC(=O)CCCCC(=O)NNC(C)=O	1320616595	AAVPNIGTLWXPOH-UHFFFAOYSA-N	216.237	-0.113	50	10	BBGE	
CC(C)(C)CC(=O)NNC(=O)Cn1ncnn1	1472504049	OVSMVWFLHPPHNM-UHFFFAOYSA-N	240.267	-0.743	50	10	BBGE	
COCC#CC(=O)NNc1ccnc(N(C)C)n1	1472514899	FJNWPTZGQVCHLI-UHFFFAOYSA-N	249.274	-0.365	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccn(C)c(=O)c1	1542414975	JBDIMJRWJSQCPJ-UHFFFAOYSA-N	238.247	-0.699	50	10	BBGE	
N#CCC(=O)NN=C(N)c1ccncc1	1614950677	SLORUIAYEVNJJT-UHFFFAOYSA-N	203.205	-0.268	50	10	BBGE	
Cc1c[nH]nc1C(=O)NNc1nnc(C)c(O)n1	1638093934	YRYMJIYYBWSAKF-UHFFFAOYSA-N	249.234	-0.326	50	10	BBGE	
Cc1cc(=NNC(=O)c2ncn(C)n2)cc[nH]1	1641051468	QTZGZGYPBLVHTI-UHFFFAOYSA-N	232.247	-0.303	50	10	BBGE	
CN(C)CC(=O)NNC(=O)c1ccc(C#N)o1	1641243727	SFQZYNIDIBVYEY-UHFFFAOYSA-N	236.231	-0.526	50	10	BBGE	
O=C(NCC=CCl)c1ccc(B(O)O)cc1	1876632078	MLRPYYYHHOTTLB-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
N[C@@H](CCO)C(=O)NC[C@H]1C[C@H]1Cl	1883551523	JWZOJHWLUHODLW-QYNIQEEDSA-N	206.673	-0.560	50	10	BBGE	
O=C(Cl)C=CC(=O)NOC1CNC1	1883626492	HIFFENLGZZHGLQ-UHFFFAOYSA-N	204.613	-0.672	50	10	BBGE	
O=S1(=O)C[C@H](NC[C@H]2CCO2)[C@@H](Cl)C1	1885009015	GDTUFGQUPOHAQM-CSMHCCOUSA-N	239.724	-0.231	50	10	BBGE	
CN(C(=O)NN)[C@H](CCO)C(F)(F)F	1885135642	SPJFKQPXDOJGGS-SCSAIBSYSA-N	215.175	-0.185	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C[C@@H](Cl)C#N	1885616335	KEZWONZHHHHBRG-BIIVOSGPSA-N	218.684	-0.067	50	10	BBGE	
CCN(C)C(=O)NN(C)S(C)(=O)=O	1888553648	AOMGPHWIMDBJHJ-UHFFFAOYSA-N	209.271	-0.546	50	10	BBGE	
CC[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1888563995	VTDDDKZULWJIFV-LURJTMIESA-N	223.298	-0.964	50	10	BBGE	
O=C(Cl)C=CC(=O)NCc1cnn[nH]1	1893404489	HELWWLPNNFKIHZ-UHFFFAOYSA-N	214.612	-0.258	50	10	BBGE	
O=C1CCN(C(=O)[C@@H]2C[C@@H]2Cl)CCN1	1893469250	HBNQCJFRQIJMSV-RQJHMYQMSA-N	216.668	-0.038	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1C[C@H]1CF	1897038354	CJVIHHKIZSGAPP-IUCAKERBSA-N	231.271	-0.309	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2ncccn2)C1	1902541850	SPRHZUVIOANEIA-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
CC1(C)[C@@H](N)[C@H]1C(=O)N1CCC(O)(C#N)CC1	1905930895	FHAYKDFCQRQERD-IUCAKERBSA-N	237.303	-0.153	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H]2CCC[C@@H]21	1907073351	ZSXRWRYMQBZFGB-WPRPVWTQSA-N	233.080	-0.465	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](CO)[C@@H]2C1	1907269633	RJMBUGAZFFLMMU-UKKRHICBSA-N	241.335	-0.439	50	10	BBGE	
COc1ccc(CN2CC(=O)OC(=O)C2)nn1	1913542019	MZYTWDCPKCWTKM-UHFFFAOYSA-N	237.215	-0.629	50	10	BBGE	
CCCN(C1COC1)[C@@H](COC)C(=O)NN	1915660654	QBDXXUOAYYZJRE-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](Cl)CNS(=O)(=O)C1COC1	1923182925	JJWTYVPIUWPOST-LURJTMIESA-N	243.712	-0.442	50	10	BBGE	
C[C@H](OC[C@H]1OCC[C@H]1C)C(=O)NN	1932229529	QNZSBTKTOBEJRF-GJMOJQLCSA-N	202.254	-0.194	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H](F)C1	1932370913	GOIIQKMWJSETEO-XLPZGREQSA-N	219.260	-0.719	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]1C(F)(F)F	1935125686	CFEOYOYSSOPSQW-UHNVWZDZSA-N	212.171	-0.202	50	10	BBGE	
COCCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936089752	DVRXQLUBGYBLOL-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CC(C)(CN1C[C@]2(C)C[C@H]1CO2)C(=O)NN	1936105421	YXDQVRGYARVULZ-KWQFWETISA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@H]2CC[C@H]1C2	1936531412	TWKQFGHQSPFHAW-YUMQZZPRSA-N	227.264	-0.996	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1937550007	YTIDZHYBQJHXTR-MWLCHTKSSA-N	228.340	-0.219	50	10	BBGE	
CO[C@@H](C(=O)NNCCO)C1CCOCC1	1937613723	FEALBXHBPAHFLF-SECBINFHSA-N	232.280	-0.959	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@]1(C)CO	1938799557	PZQABLYKGGUAAQ-MWLCHTKSSA-N	229.324	-0.152	50	10	BBGE	
Cn1cc(C(=O)NC[C@@H]2COC[C@@H]2Cl)nn1	1939173787	UPJNFKHNCGVDDF-RQJHMYQMSA-N	244.682	-0.201	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2OCC[C@H]2C1	1941771897	AWXOXFYJIDYIJU-VHSXEESVSA-N	243.307	-0.896	50	10	BBGE	
CC(C)[C@@H]1CN(CCOCC(=O)NN)CCO1	1941771998	BZTKNYLNHOGSKY-JTQLQIEISA-N	245.323	-0.650	50	10	BBGE	
CO[C@H](CN1CC(=O)OC(=O)C1)[C@H]1CCOC1	1945090503	AVYHKYDNLRYWBC-DTWKUNHWSA-N	243.259	-0.577	50	10	BBGE	
COCC(COC)N(C)CC1(C(=O)NN)CC1	1945882219	DHYIHZIGEGQMSO-UHFFFAOYSA-N	245.323	-0.650	50	10	BBGE	
COCCCCCOc1cncc(B(O)O)c1	1949726773	XANZMUBYBBFZHT-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)CCC1(C)C	1950226252	UPJSZWSBBIVBJQ-VIFPVBQESA-N	243.307	-0.611	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@H]1[C@H](CO)C2	1951026605	NQEGZNYZSMTXSZ-KJPMQGKISA-N	239.319	-0.542	50	10	BBGE	
OCCO[C@H]1CCN(C[C@@H](O)CCl)C1	1956308632	DWDMVQJMCCKAFZ-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(CCOCCCl)C2	1958774631	JGFUARONAXCVRS-XKNYDFJKSA-N	235.711	-0.332	50	10	BBGE	
C[C@H](C1CC1)N(CCC#N)CC(=O)NN	1961264730	BCEVYWRXCGXKIS-MRVPVSSYSA-N	210.281	-0.010	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C[C@@H]3C2)nc1	1961680082	PDLQDHCPEQPMOH-HTQZYQBOSA-N	204.038	-0.783	50	10	BBGE	
C[C@H](Oc1ncncc1B(O)O)C1CC1	1961693652	BEVRPUBJVNNCDF-LURJTMIESA-N	208.026	-0.666	50	10	BBGE	
OB(O)c1csc(O[C@@H]2CCCOC2)n1	1961696970	UIIIMOLOKCIJPX-ZCFIWIBFSA-N	229.066	-0.619	50	10	BBGE	
OC[C@H](O)CN1CCN(CCCCl)CC1	1975010570	UZNJICASGBOWFU-SNVBAGLBSA-N	236.743	-0.414	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529509	AOEVFAXPNBEXCT-AEJSXWLSSA-N	226.324	-0.467	50	10	BBGE	
CC(C)(O)[C@H](N)C(=O)N1CC=C(C#N)CC1	1987671067	LMWIFTMUIRIOPZ-SECBINFHSA-N	223.276	-0.233	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(O)(CC(C)C)C1	1987879721	FYOGGFXVVQCTJK-VIFPVBQESA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)C(=O)NN	1989052282	OWIUVOQESIUTCM-FOCFJMSLSA-N	223.276	-0.663	50	10	BBGE	
C[C@]1(C(F)F)C[C@H]1C(=O)NCC=CB(O)O	1991327176	NYDDHPYYNMHMGA-RCOVLWMOSA-N	233.023	-0.038	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H](O)CC12CNC2	1991648353	NOKQLAWBTWJNOJ-SSDOTTSWSA-N	244.678	-0.757	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3C[C@@H]3C2)n1	2004973327	SPZBJSYTXDQIDG-VHSXEESVSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]32)CC1	2005806028	IQTQSFFQHZAXIV-FNCVBFRFSA-N	235.287	-0.377	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCCCN(C)C	2008549376	YPHMEEUAIPQWMO-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)ccc2=O)CC1(F)F	2008840130	HWLUZEWDEAEYBM-SECBINFHSA-N	243.018	-0.427	50	10	BBGE	
CC(C)(Cn1cc(B(O)O)ccc1=O)C(F)F	2008840356	LFIZICMVUAMZPQ-UHFFFAOYSA-N	245.034	-0.181	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1C[C@H](O)[C@@H]1C	2011372115	GOGMPDDRPMJVGZ-RCOVLWMOSA-N	239.275	-0.243	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1COCCC1(F)F	2020057790	VGUXEKJIBHLVHV-ZETCQYMHSA-N	249.022	-0.657	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)cc1F	2021165256	SXLAJHWPUBULLK-UHFFFAOYSA-N	235.023	-0.121	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	2022196092	GOFDKMLQATXJFB-KCJUWKMLSA-N	233.076	-0.105	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)CC(=O)N2	2026528760	HZKLQIWRKGCBJB-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
N[C@H]1[C@@H]2CN(CC(=O)NNc3ccccn3)C[C@H]12	2045670856	NGNORWFBCGCLNO-GDGBQDQQSA-N	247.302	-0.586	50	10	BBGE	
NNC(=O)c1cncc(CN2CC=C[C@H]2CO)c1	2056277115	LHHNLAZKYMDADN-NSHDSACASA-N	248.286	-0.582	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1CC2(CC2)CO1	2058156067	QXFRDQXIRXBIDB-JTQLQIEISA-N	249.075	-0.903	50	10	BBGE	
COc1cc(C)cc(B(O)O)c1[N+](=O)[O-]	2060378829	HSQKAWSJBXZXJS-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@@H]3C2)c1B(O)O	2068130582	ZIKJNMVYRYTQAI-VHSXEESVSA-N	247.107	-0.299	50	10	BBGE	
OB(O)c1cnccc1N1CCCCC12COC2	2077133874	HEILPAIJJFJLRN-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CC1(O)CC(NC(=O)c2ccc(B(O)O)cc2)C1	2079009955	VRXQCENSNFRUED-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccccc2B(O)O)C1	2079012755	ZCGYJAJAYQOXQA-SNVBAGLBSA-N	243.071	-0.538	50	10	BBGE	
COC[C@@H](Cl)CN=c1[nH]ncn1C	2209272450	ZFWSUDXKPUPRLY-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
CCC(=O)Nc1ccc(B(O)O)c(F)c1F	2212538849	HFZJYWJNKPHEIF-UHFFFAOYSA-N	228.991	-0.007	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1ccc(B(O)O)cn1	2212606171	PPRPZAUXAKOJFS-IUCAKERBSA-N	222.053	-0.980	50	10	BBGE	
C=C[C@H]1CCCN1c1ncc(B(O)O)cn1	2212610787	OWJPHOCXMCQOKV-VIFPVBQESA-N	219.053	-0.689	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)CC1CNC1	2214592974	MZJFQOCCGGDDOY-UHFFFAOYSA-N	234.108	-0.982	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C1CC(N)C1	2214600377	UEHUOZOLBRFNQV-UHFFFAOYSA-N	234.108	-0.712	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@@]3(F)C2)nc1	2216599118	YQOVHTRAQOBOKL-GMSGAONNSA-N	237.043	-0.905	50	10	BBGE	
CO[C@]12CC[C@H]1CN(CC1(C(=O)NN)CC1)C2	2216676633	HUSPJGKRKRVHSV-CABZTGNLSA-N	239.319	-0.133	50	10	BBGE	
CCOC(=O)CNc1cc(B(O)O)c(C)cn1	2217179574	MRORCNIXKYTGFU-UHFFFAOYSA-N	238.052	-0.955	50	10	BBGE	
NCC1(CNc2nccc(B(O)O)c2F)CC1	2217180866	LLHHQPILYPSASY-UHFFFAOYSA-N	239.059	-0.949	50	10	BBGE	
C[C@]1(C(F)F)C[C@@H]1Nc1ncc(B(O)O)cn1	2217181679	SWCSHIPKWBCLLB-RCOVLWMOSA-N	243.022	-0.388	50	10	BBGE	
CC(C)C[C@@H](O)CNc1ccc(B(O)O)cn1	2217197989	UQISIBYCQLMQGA-SNVBAGLBSA-N	238.096	-0.420	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)C1(CO)CC1	2217205017	RZMBMMVPCUSJRP-QMMMGPOBSA-N	236.080	-0.666	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)Nc1cc(B(O)O)ccn1	2217205301	WZLKZAXMTWHMEW-KWQFWETISA-N	236.080	-0.259	50	10	BBGE	
CN1CCCN(Cc2cccc(B(O)O)c2)C1=O	2220062295	GRGJEWPFGJGUIR-UHFFFAOYSA-N	248.091	-0.376	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@@H]3CCOC[C@H]32)nc1	2223665904	GDCTXQSYSNKWKF-HBNTYKKESA-N	248.091	-0.544	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCO[C@@H]2C2CC2)c1	2223674911	NVQXTCQCCSXOMV-ZYHUDNBSSA-N	248.091	-0.259	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](O)[C@H](O)CC1	2241589597	RVYCJMIOSXWHAZ-RNFRBKRXSA-N	243.712	-0.670	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CC[C@H]1[C@@H](O)CO	2241810519	FEDUBQIZJFJXQM-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)cc1Cl	2243348886	BJDJRANVOCNRSL-UHFFFAOYSA-N	239.423	-0.001	50	10	BBGE	
CCN(C)C(=O)c1ccc(C)c(B(O)O)c1	2243409271	FEOOBXKJCPJCBJ-UHFFFAOYSA-N	221.065	-0.233	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)C1(B(O)O)CC1	2243410495	CFKXMHYJJHHXBN-QMMMGPOBSA-N	227.069	-0.512	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@H](C)C[C@H]1C)B(O)O	2243412429	MPYUQSKWRQPFLS-VXNVDRBHSA-N	247.125	-0.385	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H]2F)c(B(O)O)s1	2243414542	CSLOXAFNHQRDND-BQBZGAKWSA-N	243.068	-0.423	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@@H]1CF	2243420145	NHXURPLSYYTXJU-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
CC[C@]1(NC(=O)[C@H]2C[C@H]2B(O)O)CCNC1	2243427277	SOLJFKRDCRIHRT-XKSSXDPKSA-N	226.085	-0.892	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cocc1B(O)O	2244216799	MKZJOPVMQQODIJ-LURJTMIESA-N	225.009	-0.805	50	10	BBGE	
C[C@@H]1OC[C@@H](NC(=O)C2(B(O)O)CCC2)[C@@H]1C	2247733112	MKSOLUGLFXQYAR-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cc(B(O)O)c[nH]1	2247739063	YMPBTEGDEJPHRB-UHFFFAOYSA-N	234.064	-0.774	50	10	BBGE	
O=C(NCc1ccco1)c1ccoc1B(O)O	2247741197	WFFSQVHJFGAZIP-UHFFFAOYSA-N	235.004	-0.518	50	10	BBGE	
CN(Cc1ccccc1F)C(=O)C#CB(O)O	2247743158	ZPMHEUKNZAQKAM-UHFFFAOYSA-N	235.023	-0.201	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ccoc1B(O)O	2247746634	BKWZMEPJBMABGR-APPZFPTMSA-N	237.064	-0.170	50	10	BBGE	
CCCONC(=O)c1c(C)cccc1B(O)O	2247752293	MQPMDWYRHGJQCX-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1CF)c1occc1B(O)O	2247753967	KPYRWRLORFPESY-RQJHMYQMSA-N	241.027	-0.705	50	10	BBGE	
C[C@@H]1CCC[C@]1(O)CNC(=O)C1(B(O)O)CC1	2247754926	NXZWEFBDXJHBRY-KCJUWKMLSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@H]1C[C@H](CF)C1)c1occc1B(O)O	2247757686	RWWLGLQXWMNFJY-LJGSYFOKSA-N	241.027	-0.563	50	10	BBGE	
NC1(C2CN(C(=O)C3CC(B(O)O)C3)C2)CC1	2247793859	ZZMPLCNJVQYAKH-UHFFFAOYSA-N	238.096	-0.811	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H](O)C1)C1CC(B(O)O)C1	2247797322	ILNIEBUJSTXMMX-YDYPAMBWSA-N	241.096	-0.341	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCCO1	2247800798	SWFXSZXCZQHZDM-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(N)=O	2247807997	JPPZRMWTTZRPKT-BYULHYEWSA-N	242.084	-0.990	50	10	BBGE	
O=C(NC[C@H]1CC2(CC2)CO1)C1(B(O)O)CC1	2247873184	GJFRUUFVKNPULX-MRVPVSSYSA-N	239.080	-0.321	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]2CC[C@H]21	2247875175	WJAQJGAWWINWHT-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247878031	HAERWVVZRXDETI-PSASIEDQSA-N	239.080	-0.512	50	10	BBGE	
CCN1CCC(NC(=O)C2(B(O)O)CC2)CC1	2247878854	OELWBBRNCCWEPD-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)cc1O	2247982635	XOCROCACDDTNNX-UHFFFAOYSA-N	239.036	-0.687	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cc(B(O)O)ccc1O	2248029385	YVPJCRHWXSYCSG-SSDOTTSWSA-N	235.048	-0.694	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccnc(F)c1F	2248416290	PVKBGJCFSWUHDR-UHFFFAOYSA-N	241.990	-0.342	50	10	BBGE	
CCN(CCC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248579120	XTRLZPNAUUUECV-ZKCHVHJHSA-N	243.068	-0.437	50	10	BBGE	
O=C(O)[C@H]1CCCCN1C(=O)C1(B(O)O)CC1	2248585400	KQGZCQHSSMXCGH-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
O=C(O)CN(C(=O)C1CC(B(O)O)C1)C1CC1	2248587818	UXLWIQNCMVVQRT-UHFFFAOYSA-N	241.052	-0.685	50	10	BBGE	
C#CC[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2255460973	AOOHNRHJOKLNQR-SECBINFHSA-N	247.059	-0.509	50	10	BBGE	
C#CCCN(C(=O)C#CB(O)O)C1CCOCC1	2255462496	WFCAYJCUMJPOFK-UHFFFAOYSA-N	249.075	-0.967	50	10	BBGE	
C#CC[C@H](CC)NC(=O)c1ccc(B(O)O)cn1	2255518553	MFAJBSWEKYRDJX-JTQLQIEISA-N	246.075	-0.707	50	10	BBGE	
COc1cc(C(=O)NCC2CC2)ccc1B(O)O	2255554045	HGLZBCFUPLKTCP-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3ccc(B(O)O)o3)[C@@H]1C2	2255670724	ZWBODMQKEAODKW-YVZVNANGSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2255673368	PMUJZAJVFXNWBO-BGZDPUMWSA-N	247.059	-0.560	50	10	BBGE	
CC1(C)[C@@H](O)[C@H]2CCN(CCCC(=O)NN)[C@H]21	2297834013	IBBQLSUGJSLDBT-GDPRMGEGSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H]2[C@H]1C[C@]2(C)O	2298004728	JSLALOXLBUXWDO-FOKACVKASA-N	241.335	-0.154	50	10	BBGE	
O=C(NC[C@H]1C2C[C@@H]3C1[C@@H]3C2)[C@@H]1C[C@H]1B(O)O	2298371671	RKMJTIIISHWKRJ-HCXBBWKSSA-N	235.092	-0.133	50	10	BBGE	
C[C@@]1(CO)C=CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371875	YMGKGGYIZDMVCW-KKZNHRDASA-N	239.080	-0.611	50	10	BBGE	
CC(C)[C@@H](C)[C@@H](N)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298375364	HCDBDVKAUWHWMT-IMSYWVGJSA-N	242.128	-0.415	50	10	BBGE	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298462839	DRUMIJPJQRQSHE-XUTVFYLZSA-N	243.068	-0.535	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@H]1B(O)O	2298463638	PTPGDCOOGPEVCC-ULAWRXDQSA-N	241.052	-0.781	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H]1C[C@@H]2N(C)C	2302403843	QFIAKUJROLPHPH-VLEAKVRGSA-N	240.351	-0.221	50	10	BBGE	
CN[C@@H](COc1ncccc1B(O)O)C(C)C	2302495136	PRBTYCBPFWXYJB-JTQLQIEISA-N	238.096	-0.616	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)c2ccnnc2)C1	2303105591	PTCDWIAFIBSMFC-JTQLQIEISA-N	235.052	-0.444	50	10	BBGE	
Cc1nn(-c2ncncc2B(O)O)c(C)c1F	2303273113	FXSPCJPFWRFLNR-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
CC[C@](C)(CN1CCN(C)[C@H]2C[C@@H]21)C(=O)NN	2303424902	WWNGGIZOUDGPHG-JBLDHEPKSA-N	240.351	-0.219	50	10	BBGE	
CCNC[C@H](C)Oc1cc(B(O)O)c(F)cn1	2303854583	DTOFNSLXIJVHDB-ZETCQYMHSA-N	242.059	-0.723	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)n1	2309538989	GRHYVMBLXBSNJC-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
Cn1cnc(B(O)O)c1C(=O)Nc1ccccc1	2315529457	AGGSUUTUDIXYFA-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
N[C@@H]1CCCN(c2ccc(C=O)c(B(O)O)c2)C1	2317310477	AXTCTTFPSNKJSP-SNVBAGLBSA-N	248.091	-0.894	50	10	BBGE	
CCc1ccn(-c2ccc(C=O)c(B(O)O)c2)n1	2317311865	WTSJXVNDHUPHSV-UHFFFAOYSA-N	244.059	-0.073	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@@H](O)C2)cc1B(O)O	2317348243	KWPGZFPZIFGYMV-DKTWLAJQSA-N	249.075	-0.638	50	10	BBGE	
CN(CCO)NC(=O)c1ccccc1N	39249304	QFVJRFOIRTYPCL-UHFFFAOYSA-N	209.249	-0.162	50	10	BBGE	
CNCCN(C)[C@@H](C)CCC(=O)NN	69801849	ZLIPMVCSBUPTNP-QMMMGPOBSA-N	202.302	-0.704	50	10	BBGE	
COc1c2c(nn3c(C(=O)NN)nnc13)CCC2	75848721	BKUYJFJUZOLTOV-UHFFFAOYSA-N	248.246	-0.775	50	10	BBGE	
NNC(=O)CN1CCN(C2CCCC2)CC1	82468731	ZBOVHBHWZHYMFP-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CCN1CCN(CCOCCCl)C(=O)C1=O	82513462	LSISMWRKTTUYGC-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
CCc1nccn1C[C@H]1CC[C@H](C(=O)NN)O1	110602862	DQTHMTCOCFEXLF-RKDXNWHRSA-N	238.291	-0.017	50	10	BBGE	
CC1(C)C(=O)NCCN1CCCCC(=O)NN	110664451	AQGGWKYRCIOPTG-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
N#CCN(CC#N)Cc1occc1C(=O)NN	111820636	YTFMJNLREZUHSI-UHFFFAOYSA-N	233.231	-0.268	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)Cn1ccnn1	176149086	GETYDMLRNZCRSB-UHFFFAOYSA-N	239.279	-0.138	50	10	BBGE	
OB(O)c1ccccc1CO[C@@H]1CCOC1	203528367	WWFVAZKKBMCJPZ-SNVBAGLBSA-N	222.049	-0.328	50	10	BBGE	
COC(=O)N1CCC[C@H](C(=O)NN)CC1	215366314	KORUYRCKBPXADN-ZETCQYMHSA-N	215.253	-0.155	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@@H](O)C1	230357166	IOTPEGWVSPBHTP-RGOKHQFPSA-N	229.324	-0.296	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCO1	232419734	RGXZAAUSQYIZFI-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@H]2Cl)cn1	236098180	OHWQHXKWPOUSJD-WDSKDSINSA-N	213.624	-0.233	50	10	BBGE	
COCOc1c(B(O)O)ccnc1Cl	238356844	BLRIHONTGYRPPJ-UHFFFAOYSA-N	217.417	-0.603	50	10	BBGE	
CNNC(=O)C[C@H](N)C1CCN(C)CC1	259053085	LWERRJBKSIFSBP-VIFPVBQESA-N	214.313	-0.704	50	10	BBGE	
N#CC1=C(C(=O)S)S(=O)(=O)N=C1	260055399	HBUOQMKUQRXZJY-UHFFFAOYSA-N	202.216	-0.365	50	10	BBGE	
O=C1NCN[C@H](Cl)[C@@H]1Br	306736531	XNFHGCJKXDSFTL-HRFVKAFMSA-N	213.462	-0.008	50	10	BBGE	
O=C1O[C@@H]2[C@@H](Cl)[C@H]3O[C@@H]2[C@@H]1[C@H]3C(=O)O	306772422	SIIMPOCAYCQRBK-HMEVWOALSA-N	218.592	-0.383	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@H](C)C(=O)NN)C1	307012582	MOBZTRJWBYSEIG-XLPZGREQSA-N	201.270	-0.933	50	10	BBGE	
OB(O)c1ccc2c(O)c(O)sc2c1	307462157	GEQIPPJGSSWQRJ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
CN(C)S(=O)(=O)[C@H](C#N)C(=O)CCl	307937981	RSKIHBMGBQZTMA-ZCFIWIBFSA-N	224.669	-0.422	50	10	BBGE	
CCNC(=O)NNS(=O)(=O)C(C)C	308231504	OXZFEVANZUWGOF-UHFFFAOYSA-N	209.271	-0.452	50	10	BBGE	
OCCCn1ccc2ccc(B(O)O)cc21	309388077	NAWJNJAPKNSNJO-UHFFFAOYSA-N	219.049	-0.297	50	10	BBGE	
CC(C)(CN1CCC[S@@](=O)CC1)C(=O)NN	321932647	VRVAHHLVZDQZHB-MRXNPFEDSA-N	247.364	-0.543	50	10	BBGE	
Nc1c(F)cc(OC(F)(F)F)cc1B(O)O	322243024	JNKPZPYHDJRASS-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
Cl[C@H]1COC[C@H]1Nc1cncc2nnnn12	323162773	JOGCVWDHWUGVST-NTSWFWBYSA-N	240.654	-0.063	50	10	BBGE	
CN=c1[nH]cc(C(=O)NNC(=O)OC)s1	379922770	IXUPMISWAOBEOK-UHFFFAOYSA-N	230.249	-0.393	50	10	BBGE	
C[C@H]1C[C@H](O)CN1Cc1occc1C(=O)NN	385015490	RVGYWBHRGLHBPZ-YUMQZZPRSA-N	239.275	-0.162	50	10	BBGE	
OB(O)c1ccc([C@H]2COCCN2)c(F)c1	395060848	TXGRHIAGGFSDNB-SNVBAGLBSA-N	225.028	-0.834	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](O)[C@H]1C	395109887	SFCVNBWBTTTYEK-QEYWKRMJSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1CN([C@H](C(=O)NN)C(C)(C)C)CC(=O)N1	395803789	HHMNHEYSRDUMKC-IONNQARKSA-N	242.323	-0.789	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCC(=O)NN)CO1	401367507	BAQMDGWKSXHBJM-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CO[C@H](C)C1	401534721	REMRIFMOBXMGEY-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
CC(C)[S@@](=O)NCc1sccc1B(O)O	404836817	IBOPNBSUGCXGQN-OAHLLOKOSA-N	247.150	-0.410	50	10	BBGE	
C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	584994628	BYLAOLVHNUFOHL-QMMMGPOBSA-N	233.076	-0.105	50	10	BBGE	
Cc1nn(Cc2ccncc2)c(C)c1B(O)O	694276456	MXTGUFJJEBZNIG-UHFFFAOYSA-N	231.064	-0.377	50	10	BBGE	
Cc1ccc(CCn2cc(B(O)O)cn2)nc1	694532007	QOMTWWGPELLNGU-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
Cc1noc(CCC(=O)NNC(N)=O)n1	700877130	RFNYTWOLXSXJOG-UHFFFAOYSA-N	213.197	-0.990	50	10	BBGE	
CC1(C)CC[C@@H](CO)N(CCC(=O)NN)C1	706118059	WJZOZBGXEICACI-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)C23CC(CN2)C3)CC1	709885849	VCPJXDSMDHYNOW-UHFFFAOYSA-N	235.287	-0.385	50	10	BBGE	
CNC(=O)N1CCc2ccc(B(O)O)cc21	712954046	AJIZJIBKYCIJMD-UHFFFAOYSA-N	220.037	-0.932	50	10	BBGE	
C[C@@H]1CN(C)C[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	722221152	VULNHHHTDDYTRI-XFWSIPNHSA-N	238.287	-0.147	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@@H]3C[C@@H]32)ns1	724324792	PFNNBPMQSWUQQR-RITPCOANSA-N	239.304	-0.264	50	10	BBGE	
COCCN(C)NC(=O)C[C@H](C)NC(N)=O	848055721	FWMRMEYOHXIMFD-ZETCQYMHSA-N	232.284	-0.957	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CC2)nc1O	854181163	UZHGXEAXJZLZID-UHFFFAOYSA-N	224.220	-0.703	50	10	BBGE	
CCO[C@@H]1[C@H](C)[C@H]1C(=O)NNC(=O)NC	906393465	BJJYNZWDPNRKLZ-FSDSQADBSA-N	215.253	-0.382	50	10	BBGE	
CNC(=O)NNC(=O)c1cccn2nccc12	1136378782	NSLJTEHGJIPEIZ-UHFFFAOYSA-N	233.231	-0.092	50	10	BBGE	
Cc1ncc(C(=O)NNC(=O)c2ncon2)[nH]1	1157782892	GAMAEZLQKYWNBO-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
C[C@@]1(C(=O)NNc2nc[nH]n2)CCNC(=O)C1	1183623365	AYTGGKKGNBUXNT-SECBINFHSA-N	238.251	-0.836	50	10	BBGE	
Cc1conc1C(=O)NNC(=O)Cc1cc[nH]n1	1633221428	KHOKQFSGZNMVRP-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
C=C[C@@H](O)C(=O)NCCSS(C)(=O)=O	1636475655	QYFWZTLKCWTCLJ-ZCFIWIBFSA-N	239.318	-0.658	50	10	BBGE	
Cn1nnc(C(=O)N2CC=C(C#N)CC2)n1	1636506468	XNRWJVYZGFMZAI-UHFFFAOYSA-N	218.220	-0.494	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1CC[C@H]1O	1878139995	SEZOPRDHPDSNJV-NTSWFWBYSA-N	213.686	-0.332	50	10	BBGE	
NNC(=O)COC[C@@H]1CSCCO1	1891540371	WKXILTWNIGYKEA-ZCFIWIBFSA-N	206.267	-0.875	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N(CCO)C1COC1	1893470922	XXPAWEKJEPIPSC-HTQZYQBOSA-N	219.668	-0.167	50	10	BBGE	
COC[C@H](O[C@@H]1C=CCC1)C(=O)NN	1893783797	VAGKWTDFEXHLSN-SFYZADRCSA-N	200.238	-0.274	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H](C)O1	1895135627	UPTVJCNSEORBNH-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CCC[C@@H]32)nc1	1896231972	GMCZFXJQJZVQTA-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](N)C1	1901378069	WKYJXFFBWUJQJN-ZKCHVHJHSA-N	249.336	-0.575	50	10	BBGE	
OB(O)[C@H]1CCN(CCCn2cccn2)C1	1902511111	FHQDQVBKGVFAKT-JTQLQIEISA-N	223.085	-0.178	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)c(F)cn2)CC1	1903010268	NQTXDSMFLRUOIB-UHFFFAOYSA-N	220.012	-0.522	50	10	BBGE	
CCNC(=O)Nc1cccc(C)c1B(O)O	1905159761	FFPKTSGYFGOYQV-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H]2C[C@@H]2C1	1913596020	PHQOOTUYMBSIEQ-AYMMMOKOSA-N	246.075	-0.254	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)C(=O)NN	1913629054	IOKDBHWHDGKSDJ-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
C[C@@H]1C[C@@H](Cl)CN1C(=O)Cn1cnnn1	1928697207	WVNHKHZZVLXCOS-RNFRBKRXSA-N	229.671	-0.099	50	10	BBGE	
Cn1[nH]cnc1=N[C@H]1COC[C@@H]1CCl	1930293174	KRGOOYGJHQKVAX-BQBZGAKWSA-N	216.672	-0.097	50	10	BBGE	
CN(C)NC(=O)CC1(CN)CCOCC1	1930809651	TXQZLVQKQCHRLH-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
CC(C)[C@]1(O)CCN([C@@H](C)C(=O)NN)C1	1930890248	ONQIZWMCXZPJIG-WPRPVWTQSA-N	215.297	-0.542	50	10	BBGE	
COCc1nnc(SCC(=O)NN)s1	1931540036	JTOGJJODZQZVGJ-UHFFFAOYSA-N	234.306	-0.234	50	10	BBGE	
COC[C@]1(OC)CCCN(C(=O)NN)C1	1931666788	IUBBSTKGTVDJSK-VIFPVBQESA-N	217.269	-0.303	50	10	BBGE	
NC(=O)NNC(=O)[C@H]1CCc2nc[nH]c2C1	1936029701	SEZACFMWWVGKPO-YFKPBYRVSA-N	223.236	-0.786	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2COC[C@@H]2C1	1936090931	JYXOJVCWAGULRK-AATLWQCWSA-N	225.292	-0.809	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C(CO)[C@H]2C1	1937461449	SKCPRGFESBEUDJ-OYNCUSHFSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H]2CO)CC1	1938247885	YHQQJLQBFLNYCS-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CC1(CN2[C@H]3CC[C@H]2C(=O)OC3=O)COC1	1939184438	JGINLKFNVMAGDT-YUMQZZPRSA-N	225.244	-0.061	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN(CCO)C1CCCC1	1941086149	HLWLAGMIINCDMV-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CO[C@@H]1CN(CCOCC(=O)NN)CC[C@@H]1C	1941773930	DUXUEPXFFROQTF-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1943069431	AEJLCBGSOMPNTR-VPOLOUISSA-N	241.335	-0.439	50	10	BBGE	
C[C@H]1CN(C)CCN(CC2(C(=O)NN)CC2)C1	1945884863	XSUOEHZQDAJDDA-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
CN(C)NC(=O)N[C@]1(CCC(=O)O)CCOC1	1947412445	DDOJHCAGJYIKOG-SNVBAGLBSA-N	245.279	-0.214	50	10	BBGE	
C[C@H](CN1CC2(CC[C@H]1CO)CC2)C(=O)NN	1948553162	ARETWXYSVMKUKP-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@@H]1CCCO1	1951073595	UNCIHWDZVFVCCT-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
O=C1CN(C(=O)CCl)[C@@H]2CC[C@H]2N1	1953945115	AMLSYMSLHDFCHY-PHDIDXHHSA-N	202.641	-0.285	50	10	BBGE	
C[C@@H]1C[C@@H](CC(=O)NNC(N)=O)CO1	1955381496	XNNAJNDZPHAPAX-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NN	1956780862	GILZDSWOSXVZHQ-ZCFIWIBFSA-N	223.298	-0.675	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(=O)NC(=O)[C@H]1C	1958793624	MNOKRKFMRDWIKW-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
NNC(=O)CCN(C1CCC1)C1COC1	1959022270	QDVCIDWQQKCTJF-UHFFFAOYSA-N	213.281	-0.380	50	10	BBGE	
COCCOc1cc(C)c(B(O)O)cn1	1961688472	TZKITTXRCLPVDB-UHFFFAOYSA-N	211.026	-0.905	50	10	BBGE	
C#C[C@H](CCl)NC(=O)c1ncc[nH]c1=O	1974769563	WVKURTANWRCYFA-ZCFIWIBFSA-N	225.635	-0.260	50	10	BBGE	
CC(C)=CCn1cccc(B(O)O)c1=O	1975100918	KWUPSEYZGGGKLS-UHFFFAOYSA-N	207.038	-0.506	50	10	BBGE	
CCN(CC1CC1)c1ccc(B(O)O)cn1	1981413797	KUOJMTJVIKUYRD-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](COC)C1	1982500661	SODRELFMZWBZKJ-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CO)CCC1CC2	1984277261	XICKLWRZCAOXCC-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
CC1(CCn2cccc(B(O)O)c2=O)CC1	1984628365	VNFUJUNWDWFIHL-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC(C)(C)[C@H]1CO	1986922107	BSMSOEBBUSQYTP-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
CN(CCCC(=O)NN)C1COCCOC1	1987694745	HLAGIAHKXUGVOJ-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
C=C[C@]1(O)CCCN(CCCC(=O)NN)C1	1990540427	RTJWPQGVENNAAF-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1991652570	OQDDJLDCQPBEFR-MLTZYSBQSA-N	245.662	-0.740	50	10	BBGE	
CO[C@@H]1C[C@H](CN)N(C(=O)/C=C/C(=O)Cl)C1	1991712847	LRYBJOOYFCOLMR-YEMZYZDBSA-N	246.694	-0.117	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@@H]2COC[C@@H]12	1991717407	XIMDZHNGYFYKBK-SXSRJLBYSA-N	245.662	-0.162	50	10	BBGE	
CCN(CC)C(=O)Nc1ncc(B(O)O)cn1	1996646209	SGOSPKAJBQPEET-UHFFFAOYSA-N	238.056	-0.970	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(N2CC(F)C2)C1	1996927074	XKBKRILGYFAGTO-JTQLQIEISA-N	244.314	-0.661	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1noc(C)n1	1997752785	REFOWHYUBLGZNH-MRVPVSSYSA-N	241.295	-0.032	50	10	BBGE	
C[C@@H](CN1C(=O)[C@@H]2CCCN2C1=O)C(=O)NN	2004267981	XNJIGGGGQFHDHS-BQBZGAKWSA-N	240.263	-0.961	50	10	BBGE	
Cc1ccnc(N2CC[C@@H]2C(F)F)c1B(O)O	2004915804	DIZKGCHCCSNFFH-SSDOTTSWSA-N	242.034	-0.086	50	10	BBGE	
CO[C@@H]1CCN(c2nccc(C)c2B(O)O)C1	2004919336	XQKITHFZMIXJGN-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1c1ccncc1B(O)O	2004928913	GSDQIHMMTGVLTP-RKDXNWHRSA-N	236.080	-0.625	50	10	BBGE	
COc1nc(N2CCC[C@H]2C)ncc1B(O)O	2005014697	PCCJWHSPUWLWFD-SSDOTTSWSA-N	237.068	-0.846	50	10	BBGE	
CC1(C)C[C@]2(CCO1)CCN2C(=O)C(=O)NN	2009131507	HMLDJJPLSUJBKQ-LLVKDONJSA-N	241.291	-0.464	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCOCCC1(C)C	2011295966	USXPWGJIFCGBDL-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CC(C)COCC(=O)N[C@H]1CCC=C1B(O)O	2020068852	VXNPCFAYXWBCGJ-JTQLQIEISA-N	241.096	-0.124	50	10	BBGE	
C=C(CN1CC[C@H](c2cnn(C)c2)C1)B(O)O	2021158376	AZWJHUXLJUNTRR-JTQLQIEISA-N	235.096	-0.222	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1[C@@H]2CCC[C@@H]12	2040765166	MTYCMHHTJKNVLE-RKDXNWHRSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H]1c2c(cnn2C)CN1C[C@H]1C[C@@H]1C(=O)NN	2049571670	UWTGJZLEKLTAEE-MRTMQBJTSA-N	249.318	-0.077	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2052468435	CRFINUAOJYJXPN-LALMQGGXSA-N	245.091	-0.753	50	10	BBGE	
COc1c(B(O)O)cc(C)cc1[N+](=O)[O-]	2060380632	LNTKVKYNJBMNGG-UHFFFAOYSA-N	210.982	-0.408	50	10	BBGE	
C[C@H]1C(CNC(=O)c2cccc(B(O)O)c2)[C@@H]1C	2079008044	DEEREOKJCZZBGO-RKDXNWHRSA-N	247.103	-0.002	50	10	BBGE	
O=C(NCCC1COC1)c1ccccc1B(O)O	2079010200	XUKPFWIGLGJPIA-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2CC2(F)F)[nH]c1	2212602047	XUXKZKPIIWLLMB-ZCFIWIBFSA-N	228.007	-0.750	50	10	BBGE	
COCC[C@@H](C)Nc1ccc(B(O)O)cn1	2212611749	CPQYQXZRTCNSRC-MRVPVSSYSA-N	224.069	-0.402	50	10	BBGE	
CCOCC1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215776546	NLUJLCITGWVIJJ-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC2(F)F)[nH]c1	2217176043	QORJFOANDGNKME-LURJTMIESA-N	243.022	-0.965	50	10	BBGE	
OC[C@@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217176928	BZQIAVIUKYSIRV-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1Nc1nccc(B(O)O)c1F	2217179209	HYYGYIHFRMHGOW-SHYZEUOFSA-N	240.043	-0.918	50	10	BBGE	
OB(O)c1ccc(NC[C@@]2(F)CCOC2)nc1	2217181027	NCMJERYTIQHASJ-JTQLQIEISA-N	240.043	-0.698	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CCCCO2)c1	2217188422	NZIMKFBMIHUAEC-SNVBAGLBSA-N	237.064	-0.291	50	10	BBGE	
CO[C@H](COc1cc(B(O)O)ccn1)C(C)C	2217190645	OONLOAVFWQGHPC-SNVBAGLBSA-N	239.080	-0.189	50	10	BBGE	
CCNC[C@H](CC)Oc1cc(B(O)O)ccn1	2217193296	MARQCTFZNSBCLF-JTQLQIEISA-N	238.096	-0.472	50	10	BBGE	
C[C@@H]1CNC[C@H](Nc2cc(B(O)O)ccn2)C1	2217199719	OPNFHAQHBKTHEH-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
CN(Cc1cncnc1)C[C@H]1CC[C@@H]1C(=O)NN	2221565233	BRHARBJRTLKXSP-MNOVXSKESA-N	249.318	-0.076	50	10	BBGE	
COC[C@]12C[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2223627891	OGQHSKHPDIWNFS-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2CCC3(CC2)COC3)c1	2223632055	FFEFEAPTAHIBBQ-UHFFFAOYSA-N	248.091	-0.622	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C[C@@]1(C)CN	2223633496	XKYZZSKCBKIIPM-BXKDBHETSA-N	249.123	-0.818	50	10	BBGE	
COCCN(CCC#N)c1ncccc1B(O)O	2223667092	NBKOIYQBGZHRKG-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1ncn(C)n1	2223673833	HXGWIFUDSZGAPK-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)NNC(N)=O	2241600667	TWWHURBWJZGTIB-XRGYYRRGSA-N	201.226	-0.642	50	10	BBGE	
N[C@H](C(=O)N[C@H]1C[C@H](Cl)C1)C1COC1	2241653247	FPLKVYBVEPNFTG-FXQIFTODSA-N	218.684	-0.154	50	10	BBGE	
O=C(N1C[C@H]2CO[C@@H](C2)C1)C1(B(O)O)CC1	2243358825	LDEPMLZXHZEDLT-YUMQZZPRSA-N	225.053	-0.759	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1C[C@H]2C[C@H]2C1	2243361882	IQTCBXPGRYZTBV-KNVOCYPGSA-N	237.089	-0.480	50	10	BBGE	
O=C(NC1CC1)c1cccc(B(O)O)c1Cl	2243366361	AYRLGICKLWJHPP-UHFFFAOYSA-N	239.467	-0.088	50	10	BBGE	
CCCN(O)C(=O)c1cc(C)sc1B(O)O	2243378133	MZOWLDNDIURKOS-UHFFFAOYSA-N	243.093	-0.022	50	10	BBGE	
Cc1c[nH][nH]c1=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381144	CTQRVANPSQFHAB-KNVOCYPGSA-N	223.041	-0.668	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](CO)C1	2243391385	KBVUHMCXEXNKIT-UEJVZZJDSA-N	227.069	-0.920	50	10	BBGE	
C[C@@H](N)CCCNC(=O)C1CC(B(O)O)C1	2243397053	UXFVBAMZAVVQRS-AFPNSQJFSA-N	228.101	-0.517	50	10	BBGE	
CC[C@@]1(C)CCN(C(=O)C#CB(O)O)C1=O	2243399899	SDRUXMPRXJWUPP-JTQLQIEISA-N	223.037	-0.823	50	10	BBGE	
CSC[C@](C)(O)CNC(=O)C1(B(O)O)CC1	2243410597	DWUWZGCKWYWBBP-MRVPVSSYSA-N	247.125	-0.776	50	10	BBGE	
CC[C@H](C)N(C)C(=O)c1cocc1B(O)O	2244217554	RHHGALJGDYRAGL-ZETCQYMHSA-N	225.053	-0.170	50	10	BBGE	
COCCN(CCF)C(=O)C1(B(O)O)CCC1	2247732696	IASMPNKUIDIHLS-UHFFFAOYSA-N	247.075	-0.172	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@H](C)CO1	2247787366	OEPOKVNUYNDAKR-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247796511	AFPVXZXUFSVISF-KYXWUPHJSA-N	240.112	-0.375	50	10	BBGE	
COC[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2247796648	BQBRFSQVKFJSDI-LPEHRKFASA-N	243.112	-0.116	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247797357	ISENZDYQTOIBOX-AATLWQCWSA-N	240.112	-0.517	50	10	BBGE	
O=C(NCCc1ncc[nH]1)[C@H]1C[C@H](B(O)O)C1	2247799698	GYLPJEFOQCMMRZ-ZKCHVHJHSA-N	237.068	-0.679	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@H](CO)CC1	2247800243	NDIVTTNRXDVXFQ-OPRDCNLKSA-N	241.096	-0.530	50	10	BBGE	
CC1(C)C[C@H](N)CN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805117	JNJCONRLLTZORB-CIUDSAMLSA-N	240.112	-0.422	50	10	BBGE	
CN(C)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247806014	CPXPRJCGBDWXJP-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@@H](O)CC2(CC2)C1	2247810189	VMLLHMBETSBSJL-YIZRAAEISA-N	239.080	-0.777	50	10	BBGE	
CC(C)(C)[C@@H]1[C@H](O)CCN1C(=O)C#CB(O)O	2247849640	CNTXFDPMXLXARP-SCZZXKLOSA-N	239.080	-0.990	50	10	BBGE	
CCCC[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2247855238	PAMFUDSQLMTAEH-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCCN[C@H]21)C1(B(O)O)CC1	2247871752	HGYGBVYDBHFJLJ-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@@H]1B(O)O	2247887727	RDZXKQSWOCQAMS-VFCFLDTKSA-N	239.080	-0.800	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1CN	2247896353	YOAAANHXWDGJIZ-DOLQZWNJSA-N	240.112	-0.707	50	10	BBGE	
C=C1CN(C(=O)Nc2ccc(B(O)O)cc2)C1	2247970956	LPWNRUBEODEPEJ-UHFFFAOYSA-N	232.048	-0.230	50	10	BBGE	
C#CCONC(=O)Nc1ccc(B(O)O)cc1	2247977253	PVQYRMZMKQGUOJ-UHFFFAOYSA-N	234.020	-0.947	50	10	BBGE	
C[C@@]1(NC(=O)c2cocc2B(O)O)C=CCC1	2249422385	DAJSXDWWKQACGG-LLVKDONJSA-N	235.048	-0.202	50	10	BBGE	
NC[C@@]12C[C@H]1CN(C(=O)C1(B(O)O)CCC1)C2	2250702375	GJVXWOFNLWTYPT-WCBMZHEXSA-N	238.096	-0.809	50	10	BBGE	
CCC1(OC[C@H]2CC[C@H](C(=O)NN)O2)COC1	2250791851	PDRGJCGRGURHKR-RKDXNWHRSA-N	244.291	-0.281	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1cc(F)ccc1B(O)O	2255504608	SEIKFKDWZRUAGA-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(Nc1ccccc1F)c1n[nH]cc1B(O)O	2255547056	CMTDOKYVYDEVBF-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
O=C(NC1(C2CCC2)CC1)c1c[nH]nc1B(O)O	2255550305	LFOZVTFFLQAVSH-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)c(OC)c1	2255552377	KIIKINJRTSJMIN-MRVPVSSYSA-N	247.059	-0.874	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31	2255679816	JCXYBYABMLIACD-OBBGECFZSA-N	247.103	-0.105	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)Nc1nc[nH]n1	2255687143	CBMAMSVCDDBEQU-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC[C@@H](C)C#N	2255689012	DFUSUTHTXJETHH-QMMMGPOBSA-N	246.075	-0.436	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255732975	DLDFZEXFFDIIGH-KWQFWETISA-N	248.091	-0.320	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)c1ccc(CN)cc1	2255772065	ZXORWCNSTMWAFE-MNOVXSKESA-N	248.091	-0.029	50	10	BBGE	
O=C(C=Cc1cccnc1)NCCC#CB(O)O	2258960020	ZLLNVBFDCHFTKH-UHFFFAOYSA-N	244.059	-0.384	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)[C@H]1C[C@@H]1B(O)O	2298375598	RTHWQQORZAKWPR-BQHMLIOBSA-N	238.096	-0.894	50	10	BBGE	
CC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298377425	QJGXRJIIWUYDSM-AXTSPUMRSA-N	241.096	-0.077	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2299248870	HAWNDXBFKVWOOX-IUCAKERBSA-N	239.080	-0.469	50	10	BBGE	
C[C@@H](O)CCCN(C)C(=O)C1CC(B(O)O)C1	2299514278	GHQJBJGHURHSIL-XNWIYYODSA-N	243.112	-0.141	50	10	BBGE	
CNC(=O)C[C@@H]1CCCN([C@H](C)C(=O)NN)C1	2299680782	WLHJTSQNQMSVNL-BDAKNGLRSA-N	242.323	-0.787	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCc2nccn2CC1	2300202468	AARVJBRLCTXQKT-VIFPVBQESA-N	237.307	-0.490	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1[C@H]2COC[C@H]1C2	2300376467	YNOVLERNJZWYGS-ZDCRXTMVSA-N	239.319	-0.134	50	10	BBGE	
O=Cc1ccc(N[C@H]2C[C@@H](O)C2)cc1B(O)O	2301452498	IIQLGBWWHJNVMK-AOOOYVTPSA-N	235.048	-0.886	50	10	BBGE	
C=CCC(=O)Nc1ccc(OC)c(B(O)O)c1	2301525120	LDUAQZGIOKJMJR-UHFFFAOYSA-N	235.048	-0.110	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CCC(=O)NC2CC2)C1	2303099998	URVSOKIFPIOVSK-LLVKDONJSA-N	240.112	-0.406	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)C[C@H]2CCOC2)C1	2303110924	FHOFZXZWXMZECU-MWLCHTKSSA-N	241.096	-0.122	50	10	BBGE	
C[C@H](CCO)N(C)c1cc(B(O)O)c(F)cn1	2303848181	VMXNSHBJFJJUBB-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@@H](F)C2)oc1B(O)O	2307372091	JNMYMSSVHIWTIJ-KNVOCYPGSA-N	241.027	-0.502	50	10	BBGE	
C[C@@]12CC[C@@H](NC(=O)c3cc(B(O)O)c[nH]3)[C@@H]1C2	2312848014	FRSGUMZUUCTKNW-SBMIAAHKSA-N	248.091	-0.387	50	10	BBGE	
COC[C@H](C)N(C)c1ccc(B(O)O)cc1C#N	2317164397	ZCBLEYHNTYPCAD-VIFPVBQESA-N	248.091	-0.291	50	10	BBGE	
CC[C@@H](O)C(=O)N1CCc2cccc(B(O)O)c21	2317545243	NVXLSWJHLBYBMB-SNVBAGLBSA-N	249.075	-0.974	50	10	BBGE	
C[C@H](C(=O)NN)n1cnc2ccccc2c1=O	5696553	GVFCNDYAOUTUQO-SSDOTTSWSA-N	232.243	-0.053	50	10	BBGE	
CN(C)c1ccc(NC(=O)C(=O)NN)cc1	36335747	MAOOGSAKYTZZDE-UHFFFAOYSA-N	222.248	-0.319	50	10	BBGE	
Cc1cc(N(C)C)c2nnc(C(=O)NN)n2n1	75848710	JWOWDQRCBRGALW-UHFFFAOYSA-N	235.251	-0.898	50	10	BBGE	
COCCN(CCC#N)[C@@H](C)C(=O)NN	82468785	URMWVUWPKXCAOQ-QMMMGPOBSA-N	214.269	-0.773	50	10	BBGE	
CCCCN(CC(N)=O)[C@H](C)CCC(=O)NN	110588410	KVLCLIOEEUREAV-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
CCOC(=O)c1cn2cc(B(O)O)ccc2n1	197970450	WPYARICQAJZDQZ-UHFFFAOYSA-N	234.020	-0.809	50	10	BBGE	
O=c1ccccn1Cc1ccc(F)cc1B(O)O	199002925	TZYNWSHRBWRFIH-UHFFFAOYSA-N	247.034	-0.285	50	10	BBGE	
C=C(C)C(=O)OCc1ccc(B(O)O)cc1	202304431	JKNXDJUWCAHCLV-UHFFFAOYSA-N	220.033	-0.014	50	10	BBGE	
COC[C@H](C)Oc1ccccc1B(O)O	203562467	ADACZBXNPCMVEN-QMMMGPOBSA-N	210.038	-0.220	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2CCC[C@H]2C1=O	229922648	WCMLFUJIWOYFHM-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
CN(C)C(=O)CCNS(=O)(=O)CCCl	232296329	NIXXEGCNESQXMP-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
CC(=O)NCC1CCC(C(=O)NN)CC1	238083853	LHDBAFYCKGNURJ-UHFFFAOYSA-N	213.281	-0.081	50	10	BBGE	
CC(C)NC(=O)C1=NS(=O)(=O)C(C#N)=C1	260038238	GDWBTBLSPGTPMA-UHFFFAOYSA-N	227.245	-0.297	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NN)[C@H]1NC(N)=O	307015013	SZSMCVXQSJATAK-SRQIZXRXSA-N	200.242	-0.941	50	10	BBGE	
O[C@@H]1[C@@H]([C@H](Cl)CCl)OC[C@H]1O	307264796	CMNHSCHIWCYDLB-ARQDHWQXSA-N	201.049	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H](O)CC1	378806984	XOKIOHRFJSYTGU-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
O=C(CCBr)NCCn1ncnn1	379799115	LYZWEDGOWHVKNX-UHFFFAOYSA-N	248.084	-0.426	50	10	BBGE	
CN(C)C(=O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395601679	CKNHKFAEVTVUHY-VIFPVBQESA-N	244.339	-0.589	50	10	BBGE	
O=CCCc1ccc(/C=C\C(=O)O)cc1B(O)O	396136767	ZZTFBSUIDCVRAQ-XQRVVYSFSA-N	248.043	-0.404	50	10	BBGE	
Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1B(O)O	405015284	BSFONIFCBAWYCV-SECBINFHSA-N	249.075	-0.350	50	10	BBGE	
Cc1cc(C)cc(CNC(=O)C(=O)NN)c1	693207970	ZJJAYWUYXMCRAD-UHFFFAOYSA-N	221.260	-0.090	50	10	BBGE	
Cc1nn(C[C@@H]2CCOC2)c(C)c1B(O)O	694230178	SZHONMDLNCJSCA-VIFPVBQESA-N	224.069	-0.784	50	10	BBGE	
C[C@H](Cl)CN(C)C(=O)c1nnn(C)n1	697203100	CDDGHBOTLLFUEG-YFKPBYRVSA-N	217.660	-0.091	50	10	BBGE	
COCC(COC)N(C)[C@@H](C)[C@@H](C)C(=O)NN	702035566	OZQVJRDZRNGZBS-BDAKNGLRSA-N	247.339	-0.406	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1cc(C(=O)NN)no1	703552196	LJVYPCVLFZPRKQ-RCOVLWMOSA-N	241.247	-0.170	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCn1cnnc1	707425059	HRRXENCKGRXLDP-DTWKUNHWSA-N	240.311	-0.776	50	10	BBGE	
CC(C)[C@]1(O)CCCN([C@@H](C)C(=O)NN)C1	710193608	XCQCVHDEKQYLNH-ONGXEEELSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CN1C[C@H]2CSC[C@H]2C1	711524009	DBJVYIVWHUJNKU-KNVOCYPGSA-N	201.295	-0.729	50	10	BBGE	
CC1(C)CC[C@H](Cn2cc(B(O)O)cn2)OC1	714115334	DCEAOVKLZQNSGG-SNVBAGLBSA-N	238.096	-0.232	50	10	BBGE	
C[C@@H](O)[C@H](O)CNC(=O)CCBr	717354858	GYIGGVHWYDBSAY-PHDIDXHHSA-N	240.097	-0.371	50	10	BBGE	
C[C@@H]1[N]SC(SCC(=O)NN)=N1	725548258	JUMNBCMDOROTJB-VKHMYHEASA-N	205.288	-0.322	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)Cn1cncn1	727351015	GUFAYGNNMOLDFP-UHFFFAOYSA-N	239.279	-0.138	50	10	BBGE	
CCNC(=O)[C@@H](Cl)c1nnn(C)n1	829251392	JPTUOOHUMDTLRN-BYPYZUCNSA-N	203.633	-0.374	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC(C)(F)F)nn1	855187107	FVJUDOAREQUPOI-UHFFFAOYSA-N	247.205	-0.379	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C/c1ccncn1	910153583	CKOODDRPLUTRQP-CDAZIORVSA-N	236.275	-0.166	50	10	BBGE	
C[C@H](NNC(=O)[C@H](O)C(C)(C)O)C(F)(F)F	912898553	LTPRKXOBPIZPHC-WHFBIAKZSA-N	244.213	-0.310	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)c1cn[nH]c1	1302913912	ODFGDUFLNJDUES-UHFFFAOYSA-N	249.317	-0.168	50	10	BBGE	
CC(=O)NCC(=O)NNc1ccncn1	1569312192	TYFWSPFJWUHVBW-UHFFFAOYSA-N	209.209	-0.944	50	10	BBGE	
COC(OC)C(=O)NNC(=O)c1cc(C)[nH]n1	1598278994	TWXNFZMYUQJAQP-UHFFFAOYSA-N	242.235	-0.902	50	10	BBGE	
N#Cc1ccccc1-c1ncc(B(O)O)cn1	1616186835	ANEWBCUJZQNRPV-UHFFFAOYSA-N	225.016	-0.305	50	10	BBGE	
Cc1cccc(C(=O)C(=O)NNC(=O)CO)c1	1654451048	OSFQQTUEWQYKKI-UHFFFAOYSA-N	236.227	-0.683	50	10	BBGE	
O=C[C@H](O)C(=O)Nc1nnc(CCl)s1	1866089657	XJYGBOWSFXCAHM-VKHMYHEASA-N	235.652	-0.225	50	10	BBGE	
N=c1[nH][nH]c(=NC[C@@H]2C[C@H]2Br)[nH]1	1877394104	MVSXGDPZGYVAMK-IUYQGCFVSA-N	232.085	-0.166	50	10	BBGE	
OC[C@@H]1C[C@H](O)CCN1C[C@@H](O)CCl	1877820518	FXALTIROPBUMKK-YIZRAAEISA-N	223.700	-0.596	50	10	BBGE	
CNNC(=O)[C@H](COC)NC(=O)OC(C)(C)C	1880024655	UUNWYFMXENLADL-ZETCQYMHSA-N	247.295	-0.223	50	10	BBGE	
N=C(NN)NC1CC(Br)C1	1880046186	UTRUZJUCBIZISG-UHFFFAOYSA-N	207.075	-0.100	50	10	BBGE	
O=C(NOCCCl)[C@H]1COCCO1	1883010293	MAJBPKNZUXEQGT-ZCFIWIBFSA-N	209.629	-0.312	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@H]2C[C@@H]2Br)CN1	1883532869	LMJVOPAOKWTPAF-ZLUOBGJFSA-N	247.092	-0.226	50	10	BBGE	
COCCn1nnnc1CNC(=O)F	1887186616	POSWBVVFNTYETL-UHFFFAOYSA-N	203.177	-0.501	50	10	BBGE	
C[C@@H](COC[C@@H]1CCOC1)C(=O)NN	1888708946	YSQBXMGCOUUPFD-JGVFFNPUSA-N	202.254	-0.335	50	10	BBGE	
N#CCNC(=O)C(=O)NC[C@@H]1C[C@H]1Cl	1893089448	UKBMXVNIYZLGJU-NTSWFWBYSA-N	215.640	-0.630	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@@H]1Cl)c1nc[nH]n1	1893120246	USDNBKSDEGNEAU-UHNVWZDZSA-N	236.684	-0.290	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1C[C@@H]1F	1893882354	NKEFSMFTQUVNQK-DMTCNVIQSA-N	230.029	-0.881	50	10	BBGE	
CO[C@@H]1C[C@@H]2[C@H]1CCN2[C@H](C)CC(=O)NN	1895667822	NFRUWJOACBOHHB-ZYUZMQFOSA-N	227.308	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C	1896272513	VPSDNARXMXUACG-JXUBOQSCSA-N	226.324	-0.611	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]1C1CCOCC1	1897507446	VMYLOOZROQMZDM-VHSXEESVSA-N	228.292	-0.338	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1898238777	SVMYFBCQUMYLTG-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
CN1CC[C@@H]1COC[C@@H]1CC[C@@H]1C(=O)NN	1899502320	ANYKLTBWJPGSNH-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCF)C(=O)c1cnsc1B(O)O	1900475316	SCZJTLYKGDSQCS-UHFFFAOYSA-N	246.072	-0.746	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCS1(=O)=O	1900502716	XWZOYUZDNBMOBK-YUMQZZPRSA-N	247.320	-0.962	50	10	BBGE	
C[C@]1(Cn2ccc(B(O)O)n2)CC=CCO1	1901361754	LKQSQIKQOVBGMF-SNVBAGLBSA-N	222.053	-0.702	50	10	BBGE	
CC(C)=C(Cn1ccc(C)nc1=O)B(O)O	1901719913	HWAOJXNGJWJVSH-UHFFFAOYSA-N	222.053	-0.100	50	10	BBGE	
COC[C@](C)(CN1CC[C@H](B(O)O)C1)OC	1902505374	HJEMKMZQGSVYBC-UWVGGRQHSA-N	231.101	-0.413	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1902521048	FETXDYPHDIWKGK-YIZRAAEISA-N	227.069	-0.656	50	10	BBGE	
COCCCNC(=O)N1CC[C@@H](B(O)O)C1	1902548764	RRPSJKNJMDDRRY-MRVPVSSYSA-N	230.073	-0.719	50	10	BBGE	
NNC(=O)C(=O)NC1(c2nccs2)CCC1	1904674450	LHLPZGCPPFWNBN-UHFFFAOYSA-N	240.288	-0.372	50	10	BBGE	
C[C@@H](C[C@H]1CCOC1)n1cc(B(O)O)cn1	1905270970	RPEXMUJLIINOQC-DTWKUNHWSA-N	224.069	-0.450	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@@H](CN2CC[C@H](F)C2)O1	1909806408	WQDJIWBLZMZACC-GUBZILKMSA-N	245.298	-0.042	50	10	BBGE	
N#CC1=CCN(C(=O)NCC#CC(=O)O)CC1	1917107864	BWXXZSNZEOIXMH-UHFFFAOYSA-N	233.227	-0.060	50	10	BBGE	
OB(O)c1ccc(OCCN2CC(F)C2)cc1	1917263348	ZOXAHLITAXVLRM-UHFFFAOYSA-N	239.055	-0.601	50	10	BBGE	
O=C(O)[C@H]1CCC[C@@H]1C(=O)NNCCO	1929838588	PZKACJJKUTXTER-BQBZGAKWSA-N	216.237	-0.900	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CC2)CO1	1930148082	NDUXWGROKLIMDQ-UHFFFAOYSA-N	221.207	-0.361	50	10	BBGE	
NNC(=O)CN1[C@H]2CCC[C@H](O)[C@H]1CC2	1933378177	AZCMCAWTKDWTMI-YIZRAAEISA-N	213.281	-0.646	50	10	BBGE	
Cn1nnc(CNC[C@H]2COC[C@@H]2Cl)n1	1933392958	SKIDJFRDPBCLGQ-BQBZGAKWSA-N	231.687	-0.447	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1CO	1936078545	BHIAOHDJCVOROS-KATARQTJSA-N	227.308	-0.827	50	10	BBGE	
CO[C@@H]1CN([C@H](C)[C@H](C)C(=O)NN)C[C@H]1F	1937151810	CBDFMPBRHOXACR-JQCXWYLXSA-N	233.287	-0.330	50	10	BBGE	
CC(C)(C)CN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1941082751	IIGZUIJDNJNPIJ-VHSXEESVSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCCCC[C@@H]1CO	1941094517	NIIAQQHXGKGGMZ-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
O=C(Cn1cnc2ccccc21)NNCCO	1944219866	UQZGJTAICSZUQI-UHFFFAOYSA-N	234.259	-0.351	50	10	BBGE	
CN(C)[C@]1(C)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1944903262	VBYYRUOUNWSSHU-JBLDHEPKSA-N	240.351	-0.362	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1COCC[C@H]1C	1947204028	QPPMNGPTOXOQGV-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
OCC1(O)CN(CCBr)C1	1953169122	MLZWYKUPIUMRDX-UHFFFAOYSA-N	210.071	-0.580	50	10	BBGE	
Cn1ncc(C(=O)N2CC(Cl)C2)n1	1954057285	OIAMECWDNKHPNT-UHFFFAOYSA-N	200.629	-0.122	50	10	BBGE	
O=S(=O)(CCCl)N1CC([C@@H](F)CO)C1	1955028685	OVUBQMWKGUXCIJ-ZETCQYMHSA-N	245.703	-0.183	50	10	BBGE	
C[C@H]1CN(S(C)(=O)=O)[C@H](N=C=O)CO1	1956389422	PRBRCLQORIUAOK-BQBZGAKWSA-N	220.250	-0.671	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	1957990174	XVTDVJJXEKYVPN-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	1958122875	QLHGLRCTLVYYKQ-MROZADKFSA-N	219.191	-0.023	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)c1cnn(C)c1	1961352112	IIKVYSBNKPHRJC-MRVPVSSYSA-N	211.269	-0.375	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H]1C[C@H]2O	1961570270	FAUFECQXGCWFLE-HRDYMLBCSA-N	213.281	-0.788	50	10	BBGE	
CN(C1COC1)C1CN(C[C@@H](O)CCl)C1	1961836651	DYMFGCAEHLCRDX-JTQLQIEISA-N	234.727	-0.399	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC[C@@](O)(C(N)=O)C1	1962377745	RHCPTQPHMNRCHP-MUWHJKNJSA-N	234.683	-0.548	50	10	BBGE	
N[C@@H](CO)CNC(=O)C1CC(Cl)C1	1971734973	PXZBFLHLBFFDSY-KPGICGJXSA-N	206.673	-0.560	50	10	BBGE	
COCC[C@H](COC)N(C)[C@@H](C)C(=O)NN	1979244157	RSGHBTDUNCQZSJ-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
COc1cc(C(=O)NNC(N)=O)cc(C)n1	1979546075	SFBNNYXKKZEEHH-UHFFFAOYSA-N	224.220	-0.288	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@H]2C[C@H]21	1980226962	GAEPASIRLZYIOU-IVZWLZJFSA-N	226.324	-0.611	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC[C@H]2C3)nc1	1981413702	JSXMZEULAZTCDX-WPRPVWTQSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1cccnc1N1CCC[C@@H](F)C1	1981424590	VVWBWMDGOVPBKF-MRVPVSSYSA-N	224.044	-0.300	50	10	BBGE	
CN(C)C1CC(OC[C@@H]2C[C@@H]2C(=O)NN)C1	1986221507	PKNHZBMOFUCBGU-NFTFJBJSSA-N	227.308	-0.278	50	10	BBGE	
N[C@H]1CN(C(=O)C=CC(=O)Cl)CC[C@@H]1CO	1991649806	HUVHSEGVHJZHLL-SFYZADRCSA-N	246.694	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCC(F)(CO)CC1	1995937712	NPVXHEPFIRIWOL-RKDXNWHRSA-N	247.314	-0.203	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1CC12CCC2	1998136168	XYSRSAHDPHSXGE-RNFRBKRXSA-N	241.052	-0.781	50	10	BBGE	
C[C@H](CN1[C@H](CO)C[C@H]2CCC[C@@H]21)C(=O)NN	2000717351	PWSGWZMWLIJTEY-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(n2ccnn2)C1	2003858722	NBJDELLGXLFZET-HTQZYQBOSA-N	238.295	-0.851	50	10	BBGE	
CCN([C@H](C(=O)NN)C(C)C)[C@@H]1CCNC1=O	2004315006	VTJOOLBDBIJQNU-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCO[C@H](C(C)(C)O)C1	2005913301	PZPGQHNHHLGGHF-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
CC(C)OCCCn1cc(B(O)O)ccc1=O	2008841217	XNKHYRMQARWTHG-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H](F)C[C@H](F)C1	2011406355	RNCIEWBMQMLBKV-YUMQZZPRSA-N	242.034	-0.352	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2CC(O)C[C@@H]2C1	2012905062	YJJLXIATLWGDKF-TURQNECASA-N	239.319	-0.685	50	10	BBGE	
C[C@@H](CN1CCCC2(CC(O)C2)C1)C(=O)NN	2013331179	YCRRVRLSVBNAQV-BMQDGWLCSA-N	241.335	-0.151	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1[C@@H](C)C1(F)F	2019212146	RVVOAZSGZSTNAJ-SVRRBLITSA-N	249.261	-0.013	50	10	BBGE	
COCC1(C(=O)NCC=CB(O)O)CCCC1	2020068616	TVWZPKXESCISGF-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)c(N2O[C@H]3C=C[C@H]2C3)n1	2021855060	WDPFFEJMSNSCAM-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
C=C[C@]1(CO)COCCN1[C@H](CC)C(=O)NN	2022251968	YUBIWVUNKSDPIT-KOLCDFICSA-N	243.307	-0.996	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(Cc1cccc(B(O)O)c1)C2	2028066027	SXNKDKIYLXLIGO-STQMWFEESA-N	247.103	-0.270	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CCO[C@@H]2C1	2065201591	FTZPZCHQTDNVRG-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CCO[C@@H]3C2)nc1	2065202840	MEUOFBOCLVPYHK-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
Cc1cc(OCC2[C@H]3COC[C@H]23)ccc1B(O)O	2068641172	ZMHYXVAEHTVPFV-QWRGUYRKSA-N	248.087	-0.054	50	10	BBGE	
CCON(C)Cc1nscc1B(O)O	2209701281	ARXILAIHWJMNQX-UHFFFAOYSA-N	216.071	-0.794	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1OC[C@H]2CCCC[C@H]21	2210295550	JOTUXAKXEHHLTK-BWZBUEFSSA-N	227.264	-0.109	50	10	BBGE	
Cc1cnc(N(C)[C@H]2C[C@@H]2C)cc1B(O)O	2212604992	VXELQBVQSIWDQH-XVKPBYJWSA-N	220.081	-0.086	50	10	BBGE	
Cc1cnc(N2CC[C@H](C)C2)cc1B(O)O	2212605277	BBUGWAQMKNYOHG-QMMMGPOBSA-N	220.081	-0.084	50	10	BBGE	
C[C@H](CN1C[C@H](N(C)C)C2(CC2)C1)C(=O)NN	2215133320	MAYLJEMISMYRGX-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCOCCC1=O	2215770250	AQGXEABOHXBUIU-DTWKUNHWSA-N	241.291	-0.749	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2[C@@H](CO)[C@@H]2C1	2215773457	SQJXCSYOQXQTPV-APLZJWDSSA-N	239.319	-0.827	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCCC[C@H]1CO	2215775374	GOFIXKCMCSRZQJ-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccc(=NCC[C@@H]2CC23CC3)[nH]c1	2217183545	JGAQJFMVPBUQFG-SECBINFHSA-N	232.092	-0.215	50	10	BBGE	
Cc1cnc(N[C@@H](C)[C@@H](C)CO)cc1B(O)O	2217184012	PQYZBVYTJBXPIL-IUCAKERBSA-N	238.096	-0.501	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1nccc(B(O)O)c1F	2217185910	CVXCPCBKBBOSEK-SVRRBLITSA-N	242.059	-0.595	50	10	BBGE	
C[C@]1(COc2ccc(B(O)O)cn2)C=CCN1	2217185945	DKBIRYDPJNVAMC-LLVKDONJSA-N	234.064	-0.942	50	10	BBGE	
CN1CCC(Oc2cc(B(O)O)ccn2)CC1	2217187640	BSNDDBLTTVGKSS-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2217202196	UWYNQTSWIRXPTO-KVZGKHCDSA-N	230.076	-0.172	50	10	BBGE	
C[C@H]1C[C@H]1CCCN=c1ncc(B(O)O)c[nH]1	2217205323	XIDHODGJLLBAFW-DTWKUNHWSA-N	235.096	-0.574	50	10	BBGE	
Cc1cnc(OCc2cnn(C)c2)cc1B(O)O	2223620501	OGXGIKZIHFIOCG-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CCCN(c1cc(B(O)O)c(C)cn1)C1CNC1	2223649636	ZWLLUKCKOCQMSB-UHFFFAOYSA-N	249.123	-0.742	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)c1nccs1	2243349083	FRNFTUUWUAFQGL-SSDOTTSWSA-N	238.077	-0.622	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ccoc1B(O)O	2243363008	ZSGHXCFQILJKRZ-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
Cn1cc(CNC(=O)C2(B(O)O)CC2)cn1	2243363941	OTYJOVIBUAGWTG-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2243392422	TWBSDGRHYUWSFB-XAMCCFCMSA-N	231.032	-0.908	50	10	BBGE	
C[C@@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396177	ISUKHMAJCVBWJC-KZVJFYERSA-N	229.085	-0.485	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC[C@@H]1CF	2243396955	SWWDKIIZBPEOOA-RNJXMRFFSA-N	231.032	-0.954	50	10	BBGE	
C[C@H](CO)[C@H](C)NC(=O)C1CC(B(O)O)C1	2243403663	ASRKOAHLLIEKNE-DKATWDMPSA-N	229.085	-0.628	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC(O)CC1	2243403764	CEFTVMQXTKGBLV-OCAPTIKFSA-N	227.069	-0.777	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)CN1	2243408233	JNHYREKVPXHLEV-YUMQZZPRSA-N	226.085	-0.750	50	10	BBGE	
CN(CC[S@@](C)=O)C(=O)C1(B(O)O)CCC1	2243409763	OHWCOQSLABWILY-MRXNPFEDSA-N	247.125	-0.780	50	10	BBGE	
C=C1CC(NC(=O)c2occc2B(O)O)C1	2243410075	VCPMOGTUNRMTOF-UHFFFAOYSA-N	221.021	-0.592	50	10	BBGE	
C=C(CS(=O)(=O)N[C@]1(C)CC1(C)C)B(O)O	2243412749	SEHZCILXAZIGJM-SECBINFHSA-N	247.125	-0.337	50	10	BBGE	
O=C(NCCF)Nc1cccc(B(O)O)c1	2243432484	APQYYQQMDFSGFX-UHFFFAOYSA-N	226.016	-0.543	50	10	BBGE	
COC[C@]1(C)C[C@H]1NC(=O)C1(B(O)O)CC1	2243791239	YURTYJRLENWWKC-APPZFPTMSA-N	227.069	-0.465	50	10	BBGE	
CN1C[C@@H](C(=O)N[C@H]2C[C@H](Cl)C2)NCC1=O	2243967620	ADOLAWVKYDNMME-FXQIFTODSA-N	245.710	-0.697	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)c1occc1B(O)O	2244012297	OZSCUVORDFVLPM-IZLXSQMJSA-N	243.455	-0.541	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC2CC1C2	2244219784	RDKRVXQJGPBFSC-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1C[C@H]1CC[C@@H]1C(=O)NN	2245130902	XXKRAZIHEAJTJG-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
NC(=O)NNC(=O)c1nnn2ccccc12	2245192007	CBPJXTJUILXKLV-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC=C[C@@]1(C)CO	2246432503	GNJRXMRRTDTPAU-NSHDSACASA-N	241.291	-0.833	50	10	BBGE	
O=C(N1CC2(CCCNC2)C1)C1(B(O)O)CC1	2247751328	WGWIHVJBFULNSP-UHFFFAOYSA-N	238.096	-0.795	50	10	BBGE	
C=C(F)CNC(=O)c1ccc(F)c(B(O)O)c1	2247752979	ZLWNAJKNRSBNCY-UHFFFAOYSA-N	241.002	-0.282	50	10	BBGE	
CCC[C@H]1CCN1C(=O)c1occc1B(O)O	2247754517	MJIURNIGIAKIJX-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
O=C(N1CCn2cccc2C1)C1(B(O)O)CC1	2247755108	GTJKCMFBAGCPTN-UHFFFAOYSA-N	234.064	-0.163	50	10	BBGE	
C=CCCNC(=O)c1ncc(B(O)O)cc1F	2247758743	XCSHZZSRRUMYEC-UHFFFAOYSA-N	238.027	-0.794	50	10	BBGE	
O=C(N[C@H](CO)C1CCCC1)[C@@H]1C[C@H]1B(O)O	2247798464	ULLGJEFHOAYKSR-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247803691	CPXPRJCGBDWXJP-LPEHRKFASA-N	240.112	-0.598	50	10	BBGE	
CO[C@H]1C=CCN(C(=O)C2CC(B(O)O)C2)C1	2247806251	DTGWCUIQQSFTNN-RTBKNWGFSA-N	239.080	-0.347	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247808345	KVPROZOVCHGJRM-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247850679	RMKFCGPYDCMWLX-JGVFFNPUSA-N	236.080	-0.578	50	10	BBGE	
O=C(N[C@]12COC[C@H]1C2(F)F)C1(B(O)O)CC1	2247871720	GWJQMIKOPYXBGL-SVGQVSJJSA-N	247.006	-0.856	50	10	BBGE	
CNCC[C@@H](C)N(C)C(=O)C1(B(O)O)CCC1	2247877516	BMVBWGABMOEYHM-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(CC2)C[C@H]1CO	2247899429	NHVQEMNFZZYNCC-CIUDSAMLSA-N	239.080	-0.777	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)[C@@H]1CO	2247901987	BNRSOULFVPPWJN-AMDVSUOASA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588058	YNXPOEVYRCBAFH-WCTZXXKLSA-N	241.052	-0.687	50	10	BBGE	
O=C(NCC=C(F)F)c1ccc(B(O)O)cc1	2248627186	MGUHYHVVRQJROQ-UHFFFAOYSA-N	241.002	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@H]2COC[C@H]1C2	2249913789	UPPRTUVPYWBEEV-AXTSPUMRSA-N	239.080	-0.513	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2249998171	FGCPYAXASLHHAA-OPRDCNLKSA-N	237.064	-0.924	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)CCCOC1	2250007936	GDMUKXIVJQJODU-LLVKDONJSA-N	239.080	-0.675	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@H](C(=O)NN)C1	2251026456	SRUMPORRMBCTNT-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
CN(Cc1ccnnc1)C[C@@H]1C[C@H]1C(=O)NN	2251563319	UIFZFEHNNYITEQ-VHSXEESVSA-N	235.291	-0.466	50	10	BBGE	
O=C(N[C@@]12CCC[C@H]1C2)c1ccncc1B(O)O	2255457300	AKYRIPPDRNOCBF-QPUJVOFHSA-N	246.075	-0.566	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1ncncc1B(O)O	2255503253	JPPGGICSDSWONC-NSHDSACASA-N	249.079	-0.829	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H]2CCO2)c1	2255509458	MABMLPASJZKGKG-VIFPVBQESA-N	249.075	-0.806	50	10	BBGE	
Cc1ccc(C(=O)NC2(C)COC2)cc1B(O)O	2255514206	FKYMPGUXVCWDKR-UHFFFAOYSA-N	249.075	-0.806	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2255522537	LCUPJZWVEWGADP-WDEREUQCSA-N	248.091	-0.464	50	10	BBGE	
COc1ccc(C(=O)N2CC(C)C2)c(B(O)O)c1	2255528136	XKYOPRPBPUJTLU-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
C[C@H]1CCC=C[C@H]1NC(=O)c1c[nH]nc1B(O)O	2255553794	CTBHDZVXWMVJCH-IONNQARKSA-N	249.079	-0.826	50	10	BBGE	
Cc1cc(C(=O)N2CCCN2)cc(C)c1B(O)O	2255560529	WKEIUGUUJHECTC-UHFFFAOYSA-N	248.091	-0.666	50	10	BBGE	
Cc1cc(C(=O)N2CC(C)(C#N)C2)oc1B(O)O	2255565824	LXPDZIMWCILLDT-UHFFFAOYSA-N	248.047	-0.747	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2ncccc2C1	2255572599	ZUUHPJHXMLNHRW-NXEZZACHSA-N	246.075	-0.171	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018103	WWMWNSXGEYOZQX-XVKPBYJWSA-N	249.075	-0.400	50	10	BBGE	
C[C@@H]1CCOC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369933	JJWZSRMMMDHCRL-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H](O)C[C@H]2C1	2298375341	GHTNPODTDLUTGJ-LOLPMWEVSA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	2298375498	MHJUYOWHQGKKNE-KBDSZGMXSA-N	239.080	-0.921	50	10	BBGE	
Cc1cnc2n1CCN([C@@H](C)C(=O)NN)CC2	2300066403	SGGOEKOFEWSQEC-VIFPVBQESA-N	237.307	-0.572	50	10	BBGE	
CN1CCC(C(=O)N2CC[C@@H](B(O)O)C2)CC1	2303106565	VCTLEWCYFZNZTQ-SNVBAGLBSA-N	240.112	-0.597	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2CC[C@H]1C2	2313082681	VVQKQRQBFXITPG-WPRPVWTQSA-N	249.075	-0.026	50	10	BBGE	
C#CC#CC1CN(c2cc(B(O)O)c(C)cn2)C1	2315345678	UJNBJQVXPNROKZ-UHFFFAOYSA-N	240.071	-0.857	50	10	BBGE	
NNC(=O)CN1CCOc2cc(N)ccc21	19757505	CDLPKSNAGNNICK-UHFFFAOYSA-N	222.248	-0.543	50	10	BBGE	
N#CCCN(CCC#N)C(=O)CCC(=O)NN	58845326	PVRFEFXEPVLWSP-UHFFFAOYSA-N	237.263	-0.588	50	10	BBGE	
O=C1N=C(O)N[C@H](C(=O)O)[C@@H]1Br	62722503	TWHXMCSPQHQVFV-LWMBPPNESA-N	237.009	-0.753	50	10	BBGE	
NNC(=O)CCCCCn1cnccc1=O	70652509	RKYRXUJNBKAVSH-UHFFFAOYSA-N	224.264	-0.206	50	10	BBGE	
Cc1nccn1C[C@@H]1CC[C@@H](C(=O)NN)O1	82468402	FGGDMRLHXUXCLW-IUCAKERBSA-N	224.264	-0.271	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N2CCCC2)C1	104110102	YIXOINMJGQQDJM-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	195851735	MQHXRECXBSFFAH-XHNCKOQMSA-N	228.101	-0.637	50	10	BBGE	
CC(=O)/C(C(=O)N1CCCC1)=C(\N)C#N	225623566	GPVAKKVMLDPWJM-CMDGGOBGSA-N	207.233	-0.066	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)c1nccs1	235459851	XXLYCEIHFWOMST-RXMQYKEDSA-N	228.277	-0.647	50	10	BBGE	
NC(=O)[C@H]1CCN(C(=O)NC(=O)CCCl)C1	236199681	PWFXLQOFEOLWJB-LURJTMIESA-N	247.682	-0.341	50	10	BBGE	
C[C@H](O)CCN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	253039233	ZTXHYNKGJNGPQU-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
COCCOCOc1ccc(B(O)O)c(F)c1	310082041	KALXEXRNACQHIT-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
CCN(CCOCCO)[C@H](C)[C@H](C)C(=O)NN	383097400	YYJRMKRTLISPCI-VHSXEESVSA-N	247.339	-0.668	50	10	BBGE	
Cn1cc(C(=O)N2CCO[C@@H](CCl)C2)nn1	390431697	DRQRKLPSQYEYDV-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOCC1	395602875	YKWCYUGESPAKQQ-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCCNCC1	395803825	HKLSNLZGCCXLGN-SECBINFHSA-N	228.340	-0.314	50	10	BBGE	
CCC(=O)c1cccc(B(O)O)c1OC	396031117	JCKCFWNKAHUIMZ-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
O=CCCc1c(C=O)cccc1B(O)O	396048537	AFHOBNBBKRYITM-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
O=C(O)c1cccc2c(B(O)O)c(O)sc12	396378649	HTPAYSQXPDPZET-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CCOC1(C)CN(Cc2ccccc2B(O)O)C1	399991970	JABCVVBIJAXNQH-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
CCO[C@]1(C(=O)NN(C)C)CCOC1	401636612	FLVCFMOIMAGPCB-SECBINFHSA-N	202.254	-0.225	50	10	BBGE	
CC[C@H]1C[C@H]1C(=O)Nc1cc(B(O)O)ccn1	404963411	AIHSWOJGLVJYIO-IONNQARKSA-N	234.064	-0.254	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1cccc(B(O)O)c1	404969726	NSHXYNHHVHKQAV-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C#CCC(=O)Nc1cccc(B(O)O)c1	405038630	XZYWXEYRKPJJLN-UHFFFAOYSA-N	203.006	-0.672	50	10	BBGE	
CC[C@@H](NCc1ccc(B(O)O)cc1)[C@H](C)O	585044236	BUGMDSCCDIZOEA-JOYOIKCWSA-N	237.108	-0.385	50	10	BBGE	
NC(=O)NN=C1CCCS(=O)(=O)CC1	606286256	QIBMEUNEJUTWCR-UHFFFAOYSA-N	219.266	-0.391	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@@H]1CO	642856382	HVOCIQACZQEAAS-SSDOTTSWSA-N	206.673	-0.640	50	10	BBGE	
NC[C@@H]1C[C@@H](O)CN(C(=O)CCl)C1	642885357	FLSRGWNWWVDVOF-NKWVEPMBSA-N	206.673	-0.607	50	10	BBGE	
O=C1NCc2cc(B(O)O)cc(Cl)c2O1	685947589	PRDXMENBQIXPSU-UHFFFAOYSA-N	227.412	-0.378	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC(C)(C)[C@H]1C	687867999	PSRWNWGHFCBRME-RKDXNWHRSA-N	245.323	-0.509	50	10	BBGE	
CC(C)[C@@H]1COC[C@@H]1N(C)[C@H](C)C(=O)NN	688173280	UACAZOJFMRZGSG-UTLUCORTSA-N	229.324	-0.032	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]([C@@H](C)O)C1	688957729	IDLHNICZBDZDRM-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CN(Cc1ccnn1C)CC(C)(C)C(=O)NN	689553313	PEMZLSMVDILUMW-UHFFFAOYSA-N	239.323	-0.132	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCN(C)CCO	691314953	PJEYYTGEZPGWAB-SNVBAGLBSA-N	246.355	-0.999	50	10	BBGE	
C[C@H](O)CN(CCC(=O)NN)C1CC1	692097504	SPJWLRRUPMWKCR-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
C[C@]1(CN2CCC(O)(C#N)CC2)CCNC1=O	698322381	OSLZTEJQVZYYKC-LLVKDONJSA-N	237.303	-0.137	50	10	BBGE	
Cn1ncc(C(=O)NNC(N)=O)c1-n1cccc1	700876484	HHDGLQQZAFVMSO-UHFFFAOYSA-N	248.246	-0.476	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](CNC(=O)C(=O)NN)[C@H]1C	701209402	WRJPQLXMBSQHQG-HSNKUXOKSA-N	229.280	-0.848	50	10	BBGE	
COCC(COC)N(C)[C@@H](C)CCC(=O)NN	702034703	GSXSKDBUQKCHQW-VIFPVBQESA-N	247.339	-0.262	50	10	BBGE	
CNNC(=O)COc1ccccc1C(N)=O	704666593	BFDFRNHFKMOIIU-UHFFFAOYSA-N	223.232	-0.585	50	10	BBGE	
CC(C)n1cccc1C(=O)NCB(O)O	706529958	LITGIMYCYGRTHY-UHFFFAOYSA-N	210.042	-0.189	50	10	BBGE	
CN(Cc1ncnn1C)CC(C)(C)C(=O)NN	707412012	SJRXALMQFAHUOW-UHFFFAOYSA-N	240.311	-0.737	50	10	BBGE	
C#C[C@]1(O)CCCN(C(=O)NC(=O)CCl)C1	708104386	OHZZHWWFAAVSMJ-JTQLQIEISA-N	244.678	-0.079	50	10	BBGE	
CN(C)S(=O)(=O)N(C)[C@H]1COC[C@H]1Cl	709087560	PIHCOVYSJTUQSN-RQJHMYQMSA-N	242.728	-0.269	50	10	BBGE	
Cc1ncc(Cl)c(C(=O)NNC(=O)CO)n1	753440269	YWVLXIKWECTZBF-UHFFFAOYSA-N	244.638	-0.808	50	10	BBGE	
CCC(=O)NNC(=O)[C@@H](C)N(C)CCCCO	788278617	HRZYNYQEGVHGCR-SECBINFHSA-N	245.323	-0.363	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)[C@@H]2COCCO2)[C@H]1C	844584689	VOOUQJQHFYQEAX-NRPADANISA-N	242.275	-0.071	50	10	BBGE	
CNC(=S)N(C)NC(=O)C(C)(C)OC	854923713	GMRDCXGOTVPHDA-UHFFFAOYSA-N	219.310	-0.121	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)C1CC1	858122622	YAZDZIJKUOWUEJ-UHFFFAOYSA-N	222.248	-0.251	50	10	BBGE	
Cc1cncn1CC(=O)NNC(=O)C(C)C	858143607	OSQIXOCWJKTWJS-UHFFFAOYSA-N	224.264	-0.005	50	10	BBGE	
CC[C@@H]1[C@@H](C(=O)NNC(=O)NC)CCN1C	864993621	ZNSZIHNNOGMZFU-JGVFFNPUSA-N	228.296	-0.323	50	10	BBGE	
CCC(=O)NNC(=O)Nc1cc(OC)nn1C	881245065	KWSHZKAZAILWQD-UHFFFAOYSA-N	241.251	-0.009	50	10	BBGE	
O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)N1	1135404864	DEQGAEXASAKTQK-MRVPVSSYSA-N	233.227	-0.664	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)CCCCO	1293045975	MIZKQSZIKBIBIB-UHFFFAOYSA-N	240.263	-0.358	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1	1332891989	BRLLGSRZNHLRTQ-XPUUQOCRSA-N	238.247	-0.404	50	10	BBGE	
NNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1	1332946493	NTNGRWRFDHHXJL-LURJTMIESA-N	214.225	-0.858	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H]1F)[C@H]1CCCO1	1347008899	IUYJLKVOJUKHJD-LYFYHCNISA-N	216.212	-0.329	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NN	1615892103	ZVDPDKRBBAYCOQ-NKWVEPMBSA-N	245.279	-0.342	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2ccncc2c1	1641424502	SSDLLWWNFWHAST-UHFFFAOYSA-N	245.238	-0.012	50	10	BBGE	
C#C[C@H](CBr)NS(C)(=O)=O	1880010885	RUGHZHPPIMFFBV-RXMQYKEDSA-N	226.095	-0.068	50	10	BBGE	
C#CCNC(=O)CNC(=O)CBr	1881082658	OHRHNBNEKCLXDH-UHFFFAOYSA-N	233.065	-0.753	50	10	BBGE	
OCC1(CO)CCN1C[C@@H](O)CCl	1883349980	RZXJCTKKOWVNOA-ZETCQYMHSA-N	209.673	-0.985	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC[C@H]1CO	1883626778	LBETXQDYCIINMK-LURJTMIESA-N	203.625	-0.099	50	10	BBGE	
C[C@](N)(CO)CNC(=O)[C@H]1C[C@H]1Cl	1883638952	JKQFNXSEDAFRDY-SHYZEUOFSA-N	206.673	-0.560	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H]1CC(=O)NC1=O	1884194972	BSEFTKBILXIZBR-QWWZWVQMSA-N	249.064	-0.699	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCC1=O	1885135831	UUBKEIUBDXUQQD-UHFFFAOYSA-N	207.180	-0.766	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@H](O)CO	1885362684	CHCIPVPBUXCINV-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1CCOC[C@@H]1F	1886918185	RIAURVJRGIETCW-NKWVEPMBSA-N	205.233	-0.965	50	10	BBGE	
CN(C)CC1(O)CN(C(=O)CCCl)C1	1892488855	RXWHMHONANWFBU-UHFFFAOYSA-N	220.700	-0.250	50	10	BBGE	
O=C(NC1(CCO)CNC1)[C@@H]1C[C@@H]1Cl	1893454217	UQONMGZCSPRLCK-RQJHMYQMSA-N	218.684	-0.546	50	10	BBGE	
C[C@@H]1C[C@@H](OCCOCC(=O)NN)CCO1	1897965798	NODOXZMRIRYMGO-BDAKNGLRSA-N	232.280	-0.423	50	10	BBGE	
CC(C)(C)CNC(=O)c1cnsc1B(O)O	1900466557	HVUBNYJCHFZBRK-UHFFFAOYSA-N	242.109	-0.401	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1=CC[C@H](N)C1	1901339662	RCTRWCHXZRZNAZ-QMMMGPOBSA-N	247.320	-0.653	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cc[nH]n2)C1	1902512889	PDOAMNLJPCNVGR-SECBINFHSA-N	223.041	-0.511	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@H]1C	1914334665	JNIUUXHWYBAGRF-XLPZGREQSA-N	201.270	-0.526	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1(O)CCC1	1914571169	AGRBKHGNHDOHFM-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCN(C)[C@@H](C#N)C1	1914868663	GFWISYRCSMJHGC-VHSXEESVSA-N	239.323	-0.715	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1CC(F)(F)C1	1917266676	NKVVHSSUTHDTIM-UHFFFAOYSA-N	245.009	-0.044	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(CC(F)F)CC1	1923096983	DRQKAKZWXSYBBD-ZETCQYMHSA-N	236.266	-0.753	50	10	BBGE	
N#Cc1cnn(C[C@@H]2C[C@H]2C(=O)NN)c1	1927910046	CCRICBTYOJYUOP-JGVFFNPUSA-N	205.221	-0.619	50	10	BBGE	
CCN(CCC#N)C[C@@H]1C[C@@H]1C(=O)NN	1927913202	GOYLUNHHPXRIOB-IUCAKERBSA-N	210.281	-0.152	50	10	BBGE	
COC[C@@]1(C(=O)NNC(N)=S)CCCO1	1929048921	AHXPZQSRURONDB-MRVPVSSYSA-N	233.293	-0.954	50	10	BBGE	
N#C[C@H]1CCN(CC2(C(=O)NN)CC2)C1	1931266140	AYBXKJOEENZMNT-MRVPVSSYSA-N	208.265	-0.398	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H]2CC1=O	1931860896	PVUMCGVOLJKZGQ-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
C[C@]12C[C@H]1CN(CC(F)(F)C(=O)NN)C2	1932250820	YWSCSLCRZLAKTC-POYBYMJQSA-N	219.235	-0.047	50	10	BBGE	
Cn1nnnc1CNC[C@@H]1COC[C@@H]1Cl	1933386960	MQVGZMRQAIRSIE-RQJHMYQMSA-N	231.687	-0.447	50	10	BBGE	
CO[C@@H]1C[C@@H](N=C=O)CN(S(C)(=O)=O)C1	1934668585	JBHKGJZCOICKAG-HTQZYQBOSA-N	234.277	-0.629	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2CC1(CO)C2	1936082395	FCSIQCILDXYABD-GWMJWBFUSA-N	225.292	-0.931	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@H]1C2	1936082726	GNWHYWKGYUNIQS-KZVJFYERSA-N	223.276	-0.377	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CCC[C@@H]21	1936529919	ORAWJUSWFKQGIY-ZJUUUORDSA-N	227.308	-0.133	50	10	BBGE	
CN(C)C[C@@H](CCl)NC(=O)Cn1ccnn1	1937146250	MYMAONKYPZQVOL-MRVPVSSYSA-N	245.714	-0.437	50	10	BBGE	
OB(O)c1ccn(Cc2ccncc2F)n1	1938360243	ZSJLOPZFIDOHBW-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
O=C1CN(C[C@H]2COCCCO2)CC(=O)O1	1939092834	SFCGPCYXXMUFMV-QMMMGPOBSA-N	229.232	-0.823	50	10	BBGE	
C[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]1CO	1941074040	OPWJREWDELHUHJ-RCWTZXSCSA-N	241.335	-0.295	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@H]1O	1941088298	PMEAVYSYHSTYCZ-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1CC(F)(F)C(=O)NN	1941498463	JQSAAJBZMSDTID-UHFFFAOYSA-N	249.177	-0.275	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCNC(=O)C(C)(C)C1	1945231095	KWSHDCNFHXBIMU-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
O=C(NNCCO)[C@H]1CC2(CCC2)CO1	1957628334	KDKDMCNDYNLRJP-MRVPVSSYSA-N	214.265	-0.441	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCC[C@@]2(CO)C1	1958414832	BKJOARPXSXPMTP-SCZZXKLOSA-N	213.281	-0.929	50	10	BBGE	
C[S@](=O)C1CN(CC(C)(C)C(=O)NN)C1	1961565551	RTKMWCJNBXAYQD-HNNXBMFYSA-N	233.337	-0.935	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2C[C@@H](O)[C@H](O)[C@H]1C2	1961926986	PNMNUTKRNFGIJW-OKJYPTKPSA-N	233.695	-0.042	50	10	BBGE	
O=C(COC1CC1)N1CCC(B(O)O)CC1	1967574656	YHUDCANNOSVCJS-UHFFFAOYSA-N	227.069	-0.369	50	10	BBGE	
CC(C)[C@H](OCCCN(C)C)C(=O)NN	1974679273	RVDAVCBBIMLXEU-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
COCCN(C)CCC(F)(F)C(=O)NN	1975105468	ZTSVNADMVRKDBC-UHFFFAOYSA-N	225.239	-0.420	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)C(F)(F)C1	1975915691	LBBAFHJDAKYXGU-RQJHMYQMSA-N	237.250	-0.422	50	10	BBGE	
OB(O)c1cnn([C@H]2C[C@H]3[C@@H](C2)C3(F)F)c1	1978366299	KOWBNCSEJIECLD-WHUPJOBBSA-N	228.007	-0.221	50	10	BBGE	
CS[C@@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	1980886075	BXFPVRANSAUSDP-RKDXNWHRSA-N	246.380	-0.656	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC(C)(F)F	1981155570	SFXWBJLVFCGONV-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
COC[C@H]1CN(CC(=O)NN)CC(C)(C)O1	1983879347	UVNKRQWLIRTONC-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H](C2)[C@@H]1CO)C(=O)NN	1984193160	NICPCHMYEHPDFI-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
CCCCOCn1cc(B(O)O)ccc1=O	1987441832	NRFMDMTWXOVYQX-UHFFFAOYSA-N	225.053	-0.698	50	10	BBGE	
CCCN1C[C@H]2C[C@H]1CN2[C@@H](C)C(=O)NN	1987519185	WIZSCVRKFCIWGH-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C3C[C@@H]4C2[C@@H]4C3)n1	1989170942	IWSHZYFWRULOOW-ZRFWENAYSA-N	218.065	-0.535	50	10	BBGE	
O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]3Cl)[C@H]21	1991682175	HMBKVKMKNRHGLB-LQOSVEJXSA-N	245.662	-0.076	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccccc1B(O)O	1992836790	PZWCFVKGAAPKFT-MRVPVSSYSA-N	219.049	-0.329	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)CCOCC(=O)NN	1995036017	IJBGFGVMEQFUDG-WCBMZHEXSA-N	233.287	-0.327	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1995043441	XRCURDMTZORGSY-JLIMGVALSA-N	249.738	-0.302	50	10	BBGE	
COC[C@H](C)COc1ncccc1B(O)O	1995213666	FJUAUSMIHSOURT-QMMMGPOBSA-N	225.053	-0.577	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cn(C)cn1	1997726378	JTJOZHNBPZMPBQ-IUCAKERBSA-N	239.323	-0.134	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)CC12CCC2)C(=O)NN	2003751943	BKNUFIMBUNPOIJ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1c1nccn1C	2004406341	FWNXXVKUAWUZIR-DTWKUNHWSA-N	237.307	-0.065	50	10	BBGE	
OB(O)c1ccc(CN2CCO[C@H]3C[C@@H]32)cc1	2004486254	JHNCZVOBGHIQAD-RYUDHWBXSA-N	233.076	-0.661	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)c1ccc(B(O)O)cn1	2004919398	YLYRAHMUAGSXIP-WCBMZHEXSA-N	236.080	-0.625	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3(CC3)C2)n1	2005018330	RPHFRFGPPVXADY-UHFFFAOYSA-N	233.080	-0.627	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2C[C@H]1CO2	2005018811	YSUUOSNGARGPEQ-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
C[C@H](O)[C@H]1CN([C@@H](C)CCC(=O)NN)CCO1	2005913647	SCSLHLXHCSIVEJ-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC2(CC1)COC2	2008334572	QSSZENVLSFBPKK-UWVGGRQHSA-N	239.319	-0.275	50	10	BBGE	
C[C@@H]1[C@H](Cn2cc(B(O)O)ccc2=O)C1(F)F	2008839940	FBJGREAGPXAPGQ-SVRRBLITSA-N	243.018	-0.571	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC=CCC1	2008840719	QDEUHMVJKMYKMI-SNVBAGLBSA-N	233.076	-0.116	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC[C@@H](CO)C2)C1	2010836151	WZFFHQHRTOJQLW-MXWKQRLJSA-N	241.335	-0.293	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1Cc1occc1C(=O)NN	2011156702	TUKGVBBECYKAHE-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
C[C@@H](c1ccccc1O)N(C)C(=O)C(=O)NN	2017508520	SZCSBWFJIHIBIB-ZETCQYMHSA-N	237.259	-0.099	50	10	BBGE	
CCN(Cc1cnnn1C)C[C@H](C)C(=O)NN	2019942020	VSARCNCGURAWGG-QMMMGPOBSA-N	240.311	-0.737	50	10	BBGE	
O=C(Nc1cnns1)c1ccccc1B(O)O	2022196388	LOPRVJPPTCYLLK-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CN(C)CCOCC12CC(C(=O)NN)(CO1)C2	2023839748	UOBKDAQBPXEGFQ-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1cocn1	2031814630	FRMFJMCLSFIETD-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1ncoc1C(=O)Nc1ccc(B(O)O)cn1	2040765323	OTJGHYUSPWWVFD-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
NNC(=O)c1cncc(CN2CCO[C@@H]3C[C@@H]32)c1	2051853008	DESJZWYKMQQSPE-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
O=C(NCC#CB(O)O)c1cnn2ccccc12	2077492097	ITENVKKYTGQGEU-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
C[C@H]1C[C@H](Nc2ncccc2B(O)O)CO1	2212601237	KZGDGBOLMCXTIC-YUMQZZPRSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCCF)c1F	2212604313	NXMBLPWBRFDAIY-UHFFFAOYSA-N	230.023	-0.516	50	10	BBGE	
CN(C)CC1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215776260	LSNWBOHJAPDOCK-GHMZBOCLSA-N	240.351	-0.504	50	10	BBGE	
Cc1cnc(O[C@@H]2CCC[C@@H]2N)cc1B(O)O	2217168763	XRODUZIYQUXMDY-VHSXEESVSA-N	236.080	-0.672	50	10	BBGE	
C#CCCN(CCC)c1ncc(B(O)O)cn1	2217176393	VZKOJHGSQYDPTP-UHFFFAOYSA-N	233.080	-0.604	50	10	BBGE	
C[C@H](CCCO)CN=c1ccc(B(O)O)c[nH]1	2217177558	KHMGFRJLKRNGAL-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
C[C@H]1CO[C@@H](CNc2ccc(B(O)O)cn2)C1	2217179698	BEAQNDOUZLESHO-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
Cc1cnc(N(C)C[C@H]2C[C@@H]2F)cc1B(O)O	2217183838	LDZBOWKQDKNASS-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
CC[C@H]1CNC[C@H]1Oc1ncccc1B(O)O	2217186302	IJWIWOITPOVFDR-WCBMZHEXSA-N	236.080	-0.862	50	10	BBGE	
CCCCOCCOc1cc(B(O)O)ccn1	2217188613	QXPMRUJDJCCODA-UHFFFAOYSA-N	239.080	-0.043	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H](O)C(F)F	2217202971	NVAHSCXJIOBKAN-SSDOTTSWSA-N	246.022	-0.811	50	10	BBGE	
CC(C)OC1CN(c2cc(B(O)O)ccn2)C1	2217203713	ZIKXNWQQPFMYAJ-UHFFFAOYSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@]3(CCN3)C2)c1	2220053214	BRCQDVZCGOUKRT-CYBMUJFWSA-N	246.119	-0.696	50	10	BBGE	
Cc1cnc(-n2cnc(C(C)C)n2)cc1B(O)O	2223614262	RGPBANIYRZJKEJ-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(c2cc(B(O)O)ccn2)C1	2223670432	XVXJSOUTOTXBDZ-UWVGGRQHSA-N	249.123	-0.804	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@H](CN)C1	2223670875	DQRLKZSGUHOIIC-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
C[C@@H](O)CN(C)S(=O)(=O)N1CC(Cl)C1	2241338587	OPWPUFQCLDDMBO-ZCFIWIBFSA-N	242.728	-0.533	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2241480007	HDRFACKLTBDGEW-GBNDHIKLSA-N	201.006	-0.534	50	10	BBGE	
O=C(NC1CNCCNC1)[C@H]1C[C@@H]1Cl	2242024591	QMGCQAUIHKJVNU-YUMQZZPRSA-N	217.700	-0.709	50	10	BBGE	
Cc1cc(Cl)cnc1NC(=O)C#CB(O)O	2243349757	QAYHNXNNUTUJKW-UHFFFAOYSA-N	238.439	-0.003	50	10	BBGE	
O=C(C#CB(O)O)N1C2CCCC1CCC2	2243357173	SOFLMADPWCJISH-UHFFFAOYSA-N	221.065	-0.065	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccc(B(O)O)s2)[C@@H]1C	2243357332	VDLKHAILVFOIOB-RNFRBKRXSA-N	239.105	-0.092	50	10	BBGE	
C[C@H](C#N)CNC(=O)c1csc(B(O)O)c1	2243361881	IQHHSCSMPKMWPU-ZCFIWIBFSA-N	238.077	-0.683	50	10	BBGE	
O=C(c1cc(Cl)cc(B(O)O)c1)N1CCC1	2243366502	DAJSBNRPIWLXET-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
C=C=CCCNC(=O)c1csnc1B(O)O	2243378574	VXUCXNVCBYSIQK-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
Cc1csc(C(=O)N2CCCC2)c1B(O)O	2243378638	WYKKYVIFLXKSRF-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
CC1(C)CN(C(=O)c2sncc2B(O)O)C1	2243385825	PDSRUQBGTYTOIO-UHFFFAOYSA-N	240.093	-0.695	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@H]2C1=O	2243392800	XGCUFAVFGIQIAV-WMEPKMGJSA-N	223.037	-0.756	50	10	BBGE	
O=C(C#CB(O)O)N(CC(F)(F)F)C1CC1	2243400948	KAVNWFGQTDKVAB-UHFFFAOYSA-N	234.970	-0.445	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1occc1B(O)O	2244143308	JKYNWZXDAJXZLN-ZCFIWIBFSA-N	229.016	-0.611	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)N1CCC(B(O)O)CC1	2244191996	JCGAOASCBRWXBP-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H](C1)[C@@H]2O	2244331836	BMHPYQLFLBQMCG-JZYVYDRUSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)[C@H]2O	2244332185	GOSRQJMTKPAGHG-LRPJSKTQSA-N	227.308	-0.687	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2COC[C@H]1C2	2244491410	OMVJYLVQDKYWSE-NKWVEPMBSA-N	235.234	-0.668	50	10	BBGE	
O=C(NCC1CCCC1)c1coc(B(O)O)c1	2247733577	OKJIIPDXKGISEO-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]21)c1occc1B(O)O	2247754938	OCRYQIZLIACZRH-ACLDMZEESA-N	235.048	-0.512	50	10	BBGE	
O=C(N1CC[C@]12C[C@@H](CO)C2)C1(B(O)O)CC1	2247757246	PVKLYQGTQZTBCG-CZMCAQCFSA-N	239.080	-0.633	50	10	BBGE	
Cc1cc(C(=O)N2C(=O)C[C@@H]2C)oc1B(O)O	2247788182	AMQTYWBEIJASTF-LURJTMIESA-N	237.020	-0.971	50	10	BBGE	
O=C(NC[C@@H]1CCCCCO1)[C@@H]1C[C@H]1B(O)O	2247798957	YOGPUEIAUSHLOO-IVZWLZJFSA-N	241.096	-0.075	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCCNC1	2247805784	CMOJSGOILOILFL-NWGYLPEXSA-N	240.112	-0.502	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCOC1	2247808699	LWMDOLTYHWLYDW-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@H]2NCC[C@H]21	2247809255	YOGFKKXFVOXEJP-UTINFBMNSA-N	238.096	-0.798	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C2(B(O)O)CC2)CO1	2247870734	OYFGXZIEVVMQSM-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
C#CCN(C)C(=O)c1c(C)cccc1B(O)O	2247874633	NUJQBKFAGKOCGP-UHFFFAOYSA-N	231.060	-0.620	50	10	BBGE	
CN(Cc1cncn1C)C(=O)C1(B(O)O)CC1	2247877637	CKKVJUBHUNBKKE-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
CC(C)(O)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247877709	JEFRUAFDVZVJOM-QMMMGPOBSA-N	241.096	-0.387	50	10	BBGE	
CO[C@@H]1CC(=O)N(C(=O)C2CC(B(O)O)C2)C1	2247893375	QQTCDMPRANKCLO-KAVNDROISA-N	241.052	-0.987	50	10	BBGE	
CCN(CC)C1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247898491	FATIDXXGOGTEIE-NXEZZACHSA-N	240.112	-0.598	50	10	BBGE	
CC1(C)CCO[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247900732	ZDNXWPVONGAGQF-HRDYMLBCSA-N	241.096	-0.219	50	10	BBGE	
NCC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247910280	ODUXUMZZCPQVQQ-BBBLOLIVSA-N	240.112	-0.563	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC12CCC2	2255452131	DNPMCVBRYBJHGA-SECBINFHSA-N	249.075	-0.060	50	10	BBGE	
C#C[C@@H](CC(C)C)NC(=O)c1ccoc1B(O)O	2255461003	AXJMJNPRHQUPAO-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCC[C@H]2CC[C@H]21	2255671872	XWWBPJGTZDBITI-GZMMTYOYSA-N	248.091	-0.291	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC=CCC2)n1	2255726195	SVZHMXBJSATLGY-UHFFFAOYSA-N	246.075	-0.528	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC2CC1C2	2255727987	YIHOAXLJOFUKPR-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
C=CCN(CCC)C(=O)c1ncc(B(O)O)cn1	2255772970	DBGUXDZMTDTQBF-UHFFFAOYSA-N	249.079	-0.805	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1nccc(C)c1B(O)O	2255783501	CZIUOWXYOFGCKA-SECBINFHSA-N	246.075	-0.624	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1cocc1B(O)O	2258136399	LHKALVPGOXTDPC-KCJUWKMLSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@]12C[C@H](CCN1c1ncc(B(O)O)cn1)C2	2260399806	DMKSDGLOWUHYRH-WVSHTKLVSA-N	243.075	-0.852	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2298256788	VLXIVMDCOJBJQR-JBLDHEPKSA-N	241.335	-0.152	50	10	BBGE	
O=C1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298370047	MRKALPWWGDESSX-RBXMUDONSA-N	237.064	-0.366	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@H]21	2298370319	VOJFPOIPSMRQGL-UTINFBMNSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@H]1C[C@@]12CCCOC2)[C@H]1C[C@H]1B(O)O	2298375457	KQPVRURCOQVETE-QCBRBAQYSA-N	239.080	-0.465	50	10	BBGE	
C[C@H]1CC[C@@H](CN)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376082	HIYOZPZUHUIKSZ-QEYWKRMJSA-N	240.112	-0.565	50	10	BBGE	
CCN(CCC[C@@H]1C[C@@H]1C(=O)NN)CC(N)=O	2300372465	QVMWHGBSCMKXDL-BDAKNGLRSA-N	242.323	-0.800	50	10	BBGE	
CC[C@@H](CO)Nc1ccc(B(O)O)cc1C#N	2301339750	WTRCWBQDFPTYPV-JTQLQIEISA-N	234.064	-0.579	50	10	BBGE	
CC1(C)NC(=O)O[C@H]1CN1CC[C@H](B(O)O)C1	2303096075	ATWUMKDEAUZGTC-YUMQZZPRSA-N	242.084	-0.578	50	10	BBGE	
Nc1ncccc1C(=O)N1CC[C@H](B(O)O)C1	2303110733	CJJIQNWBNWWXIM-ZETCQYMHSA-N	235.052	-0.647	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nc(C3CC3)no2)C1	2303122312	CNHUVIRGSUSQIC-QMMMGPOBSA-N	237.068	-0.004	50	10	BBGE	
N[C@H]1C[C@@H](COc2cc(B(O)O)c(F)cn2)C1	2303861213	NMGNNNVPUSRJBH-KNVOCYPGSA-N	240.043	-0.983	50	10	BBGE	
C=CCNC(=O)Nc1cccc(C)c1B(O)O	2307514855	OEGDTTZJHDXMGA-UHFFFAOYSA-N	234.064	-0.018	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@H]1CCN1	2317349693	HOGORHZKSVXJFP-QPUJVOFHSA-N	249.075	-0.692	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2318352210	VCIOERRDXGMUSI-INTQDDNPSA-N	248.091	-0.625	50	10	BBGE	
O=C/C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1	30726396	YQDKULBMDMPFLH-QWJBODLLSA-N	211.173	-0.473	50	10	BBGE	endogenous,in-man
COCc1nc2c(N)cccc2n1CC(=O)NN	36285542	OOIRNMGKMGHHDC-UHFFFAOYSA-N	249.274	-0.245	50	10	BBGE	
COc1ccc(NC(=O)C(=O)NN)cc1C	49533222	INEJZIWICUNZHD-UHFFFAOYSA-N	223.232	-0.068	50	10	BBGE	
C[C@H](CNC[C@H]1CCCO1)C(=O)NN	58854790	YNQJLBIMYUTSOU-HTQZYQBOSA-N	201.270	-0.619	50	10	BBGE	
CCCNC(=O)CN(C)CCCC(=O)NN	82469956	QYGSVTGKLSBVKV-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CC2)CC1	82471199	DTHBNUJHIGLZPO-VIFPVBQESA-N	226.324	-0.465	50	10	BBGE	
O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCl	96032585	JMSAUXMYJZRSDV-UHFFFAOYSA-N	204.569	-0.500	50	10	BBGE	
COC(=O)N1C[C@H]2CC(=O)OC(=O)[C@@H]2C1	106841094	ZBJLLNFAQMUTET-PHDIDXHHSA-N	213.189	-0.226	50	10	BBGE	
Cc1cnc(=O)n(Cc2ccc(C(=O)NN)o2)c1	110603691	WUHVSWLQRLAVCT-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
O=C1CN([C@H]2CN3CCC2CC3)CC(=O)O1	111217549	QODRXKRYHSKPEW-VIFPVBQESA-N	224.260	-0.534	50	10	BBGE	
CC[C@H](C)OCC(=O)NNC(=O)c1c[nH]nn1	126535767	QOOCVMYMBXMBIK-LURJTMIESA-N	241.251	-0.619	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCn2cnnc2C1	211782679	MBGDSBDAKUGGKP-QMMMGPOBSA-N	238.295	-0.748	50	10	BBGE	
NNC(=O)C[C@@H]1CCCCS1(=O)=O	214735590	ZPTNPAVLXBLYKT-LURJTMIESA-N	206.267	-0.666	50	10	BBGE	
CNC(=O)[C@]1(C)CCN(CCCC(=O)NN)C1	230921209	WAUAMDATGKBZFU-LLVKDONJSA-N	242.323	-0.786	50	10	BBGE	
C[C@@H]1CN(CC(=O)NNc2ccccn2)C[C@@H]1N	235341362	VHZOELUESSLSKS-ZJUUUORDSA-N	249.318	-0.196	50	10	BBGE	
NC(=O)NN[C@H]1Cc2ccccc2[C@@H]1O	238591026	OKBNDQDGFGWITD-IUCAKERBSA-N	207.233	-0.182	50	10	BBGE	
NCc1nccc(C(F)(F)F)c1B(O)O	238609990	GWTNYQZIMFLYIW-UHFFFAOYSA-N	219.959	-0.761	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)C[C@H]1C(N)=O	251077153	GOZWSSXOAGRPBI-QYNIQEEDSA-N	234.683	-0.692	50	10	BBGE	
CN(N)C(=O)[C@@H](N)c1ccc2[nH]cnc2c1	258995765	GJWBOYPDTKTYSX-VIFPVBQESA-N	219.248	-0.105	50	10	BBGE	
N#CC1=CC(C(=O)N2CCCC2)=NS1(=O)=O	259996375	CLKFAVBESDZHLQ-UHFFFAOYSA-N	239.256	-0.199	50	10	BBGE	
CNC(=O)C(=O)NN=Cc1ccccn1	263631355	BPUNMASBOCCUNB-UHFFFAOYSA-N	206.205	-0.722	50	10	BBGE	
C[C@H](C#N)N[C@H]1CS(=O)(=O)C[C@H]1Cl	306757981	NYRMFIXEKJWCDF-QYNIQEEDSA-N	222.697	-0.108	50	10	BBGE	
Cn1nncc1CNC(=O)NC(=O)CCl	307014417	SIXWRUNZHUDLEC-UHFFFAOYSA-N	231.643	-0.620	50	10	BBGE	
CNC(=O)C1CN(C(=O)NC(=O)[C@@H](C)Cl)C1	381925440	PLICGIWBTPCSLP-RXMQYKEDSA-N	247.682	-0.472	50	10	BBGE	
COC1(C)CN([C@H](C)CC(=O)NN)C1	382591295	GNFOEMXBXIYWQI-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387776621	XHHFYGHKKZZBDA-YIZRAAEISA-N	213.281	-0.382	50	10	BBGE	
CCC(=O)c1cc(C(=O)OC)ccc1B(O)O	396134957	CVKVAESKKWFWGM-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
C[C@@H]1COCCCN1CCCC(=O)NN	398925106	MXRKQORRBHXBQM-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H](C)[C@H](C)[C@@H]1C	399577074	QLLPNERCVJWMMM-AATLWQCWSA-N	229.324	-0.032	50	10	BBGE	
CO[C@]1(CO)CCN([C@@H](C)CCC(=O)NN)C1	402609234	OIKAOASBSJTXOK-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1B(O)O	405053351	JRJAHOSFOJTKFF-MWLCHTKSSA-N	247.103	-0.019	50	10	BBGE	
CC1(C)C[C@@H]1C(=O)Nc1ncc(B(O)O)s1	405069021	YLGWBADZQGSIFL-RXMQYKEDSA-N	240.093	-0.193	50	10	BBGE	
C#CCOC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405149740	QBNBCEWWYIWDFU-SECBINFHSA-N	247.059	-0.213	50	10	BBGE	
O=C(N[C@@H]1CCCOC1)c1ccc(B(O)O)cc1	584981755	ZZRFOHKKVZRDKH-LLVKDONJSA-N	249.075	-0.725	50	10	BBGE	
C[C@H](CO)CN(C)[C@H](C)CC(=O)NN	688388425	RYYURBCCTVUUOY-JGVFFNPUSA-N	203.286	-0.685	50	10	BBGE	
N#CC1(O)CCN(C(=O)CSCCN)CC1	692167935	QMINRFVGTRIMIK-UHFFFAOYSA-N	243.332	-0.445	50	10	BBGE	
CC1CN(Cc2ccc(F)cc2B(O)O)C1	698565726	UOYFDNFGHFZOBG-UHFFFAOYSA-N	223.056	-0.043	50	10	BBGE	
Cc1nc(C(=O)NCB(O)O)cs1	702005945	HFPFOPQHZONMKG-UHFFFAOYSA-N	200.028	-0.807	50	10	BBGE	
N=C(O)OCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703473756	GDBUTGOLWGUBGR-WDSKDSINSA-N	228.204	-0.588	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CC1[C@H]2COC[C@H]12	703475913	BWZVNCZPVHSKGZ-ZYUZMQFOSA-N	237.255	-0.205	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C1CC(C(N)=O)C1	703485996	CUPTZPLRFYNVCC-MZUZGICHSA-N	242.323	-0.803	50	10	BBGE	
C[C@@H](OCc1ccccc1)[C@H](N)C(=O)NN	706088173	UPMDBQNDCBMGCF-SCZZXKLOSA-N	223.276	-0.091	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)C[C@@H]1C	706207907	URLHXTMAVIKEJN-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
COC(=O)C1(O)CN(C[C@@H](Cl)C#N)C1	714507750	QBDRTXGVCCETNH-LURJTMIESA-N	218.640	-0.663	50	10	BBGE	
CN(C)C[C@H](CO)NS(=O)(=O)CCCl	716672208	SWRGVWADEXMUCI-SSDOTTSWSA-N	244.744	-0.933	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](C(C)(C)O)C1	721778502	RBERWFGVTJLMGI-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
COc1ccc(NNC(=O)CNC(N)=O)nc1	782040690	GWLZCDFWHNFPII-UHFFFAOYSA-N	239.235	-0.798	50	10	BBGE	
Cc1ccn(C)c1C(=O)NNC(=O)c1cnn[nH]1	784394910	PPVJDGHTZBSYQS-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
CC1(C)NC(=O)CCC1=NNC(=O)CO	793040860	YPZMKZVYHPZPGP-UHFFFAOYSA-N	213.237	-0.861	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C/[C@@H]1CCCO1	819508258	MVCGPBVMFXHAEO-GJIOHYHPSA-N	242.275	-0.360	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1C[C@@H](C(N)=O)C1	846438133	ARHJBVZHFCWRHB-QTSXBYEJSA-N	237.259	-0.190	50	10	BBGE	
CN1C[C@H](C(=O)NN(C)C2CC2)NC1=O	854983372	DABKJTVDROWLKY-SSDOTTSWSA-N	212.253	-0.865	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@@H]1[C@H]2COC[C@H]21	857261583	SDNZULNAPKHFMA-FMCRUOTFSA-N	209.209	-0.860	50	10	BBGE	
O=C(c1cc(B(O)O)ccc1F)N1CCCO1	863877931	IXROWEWVTRVUFB-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)c1cnsn1	894287995	NIAYKUIJOGZZOA-YFKPBYRVSA-N	244.276	-0.276	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1	897837770	LUPIYQWJGRLWLM-HLTSFMKQSA-N	242.275	-0.262	50	10	BBGE	
C#CC1(F)CN(C(=O)c2cccc(B(O)O)c2)C1	919967897	OSLVWRKNYSOSHK-UHFFFAOYSA-N	247.034	-0.836	50	10	BBGE	
CNC(=O)NNC(=O)c1conc1COC	1136378836	OMUCVCCDILGWKF-UHFFFAOYSA-N	228.208	-0.605	50	10	BBGE	
CCc1nc[nH]c1C(=O)NNC(=O)c1cnn[nH]1	1136677351	NPJABLXEABPWSF-UHFFFAOYSA-N	249.234	-0.835	50	10	BBGE	
COC(=O)C(=O)NNC(=O)NC/C=C/C1CC1	1229247898	DCQQNJPMFGYQHB-NSCUHMNNSA-N	241.247	-0.544	50	10	BBGE	
CC(=O)NNC(=O)Cc1cn2c(n1)CCCC2	1326728380	NQWWWXLDLYPXRP-UHFFFAOYSA-N	236.275	-0.071	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@H](C)NC(N)=O	1332879640	SYPVJKIBZLOHME-LURJTMIESA-N	245.283	-0.828	50	10	BBGE	
CS(=O)(=O)C[C@@H](O)CBr	1536187497	OUDLMBJKQKGOBZ-BYPYZUCNSA-N	217.084	-0.213	50	10	BBGE	
O=C(Cc1nc[nH]n1)NNC(=O)NCC1CC1	1626816835	ROEOEOKCESPJIG-UHFFFAOYSA-N	238.251	-0.912	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)[C@H](O)C1	1877520215	KFRIPJTWWYCHGQ-XZBKPIIZSA-N	205.641	-0.822	50	10	BBGE	
CN(C)S(=O)(=O)C[C@H](N)[C@@H]1C[C@H]1Cl	1883645533	PRNBSOSMJDMCAH-QYNIQEEDSA-N	226.729	-0.168	50	10	BBGE	
C[C@H](CCCl)C(=O)N1C[C@H](O)[C@H](O)C1	1885933261	WMADRDHNPJUFTK-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
COC[C@H](OC[C@H](C)OC)C(=O)NN	1886076278	CTAWIYHTNLENQI-BQBZGAKWSA-N	206.242	-0.957	50	10	BBGE	
CN(C[C@@H](O)CCl)C1COCCOC1	1887272255	VVTWPRHRTWPLDS-VIFPVBQESA-N	223.700	-0.067	50	10	BBGE	
NC1(C(=O)NC2CC(Cl)C2)CC(O)C1	1890286180	AUXBFXRSFLXFNG-UHFFFAOYSA-N	218.684	-0.275	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1Cl)[C@H](O)C(=O)O	1893475650	WJMNGYSMJCVYLI-KCDKBNATSA-N	221.640	-0.436	50	10	BBGE	
CN1CC[C@@H]1COCc1nscc1B(O)O	1899515243	IEKFACFRDFMBBB-SSDOTTSWSA-N	242.109	-0.956	50	10	BBGE	
C[C@@H](CC(=O)NN)OCCO[C@H]1CCOC1	1900890409	PGFZPIKCDJAFHW-IUCAKERBSA-N	232.280	-0.423	50	10	BBGE	
OB(O)c1cnccc1N(CCF)CCF	1901482830	KWVAITVUEZFKLX-UHFFFAOYSA-N	230.023	-0.493	50	10	BBGE	
N#CC1=CCN(C(=O)CCNCCO)CC1	1902591025	JAXRPHUIXBHQPP-UHFFFAOYSA-N	223.276	-0.359	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2C[C@H]2C)c1B(O)O	1907077382	SSLOVRUXLLMLFM-APPZFPTMSA-N	235.096	-0.443	50	10	BBGE	
COc1nc(=N)[nH]c(=NC2CC(Cl)C2)[nH]1	1909271698	AFQGNTKXISGBQY-UHFFFAOYSA-N	229.671	-0.104	50	10	BBGE	
CCN(C[C@@H](C)C(=O)NN)S(=O)(=O)CC	1913827214	CCBNLKKQHRPEBQ-SSDOTTSWSA-N	237.325	-0.716	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)C(F)(F)F	1923408089	SVUYMVXFFFOKOV-UHFFFAOYSA-N	236.153	-0.407	50	10	BBGE	
CCNC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927917114	IXAVKMWHJHTCOV-NKWVEPMBSA-N	231.321	-0.518	50	10	BBGE	
Cc1csc(=O)n1CCOCC(=O)NN	1928182230	XHGCPHIHZKUEID-UHFFFAOYSA-N	231.277	-0.775	50	10	BBGE	
OC[C@]12CN(C[C@@H](O)CCl)C[C@]1(CO)C2	1928557462	VHXFEKKNICSUQG-GUBZILKMSA-N	235.711	-0.737	50	10	BBGE	
CC1(C)CCN(CC(=O)NN)C[C@@H]1CO	1929515303	WAEOARCVWPGCIZ-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NNC(N)=O	1931775505	LXRRPTFECXOQRZ-LURJTMIESA-N	203.242	-0.251	50	10	BBGE	
CC[C@H](CCOC)C(=O)NNC(N)=S	1931775633	NPAFHFOQGXTTES-ZCFIWIBFSA-N	219.310	-0.087	50	10	BBGE	
CN(C[C@H]1COCCCO1)C(=O)NN	1933314109	XOFISFCURJGVBZ-ZETCQYMHSA-N	203.242	-0.693	50	10	BBGE	
NNC(=O)CN1CC2(CC[C@@H]1CO)CC2	1933429630	UUQBBHUMSSLBOO-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
NNC(=O)C(=O)NCC1CC[C@@H]2C[C@H]2CC1	1936604262	HCRCTTNTNICRPS-RKDXNWHRSA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](C2CC2)CC1=O	1940887426	PQIFRNBVZNYXEN-ZETCQYMHSA-N	247.245	-0.130	50	10	BBGE	
CCN(CCCN(C)C)CCOCC(=O)NN	1941774735	MDPLUHXSRIOENW-UHFFFAOYSA-N	246.355	-0.734	50	10	BBGE	
NC(=O)C1(O)CN(CCCBr)C1	1953617271	GVUSIHJTOCUUJI-UHFFFAOYSA-N	237.097	-0.697	50	10	BBGE	
CSSCCNC(=O)C1(CO)CNC1	1956814194	MNLZMKZKFDJXJQ-UHFFFAOYSA-N	236.362	-0.304	50	10	BBGE	
CN([C@@H]1CCCNC1=O)S(=O)(=O)CCl	1956862891	RUQROIDPRRJGPC-ZCFIWIBFSA-N	240.712	-0.277	50	10	BBGE	
C[C@H]1C[C@@H](OCC(F)(F)C(=O)NN)CO1	1961629903	ULVJQVXYHVPJEW-NTSWFWBYSA-N	224.207	-0.194	50	10	BBGE	
OB(O)c1csc(N2CC[C@@H]3CC[C@@H]32)n1	1961717814	GPXXWEBVWOHUNB-BQBZGAKWSA-N	224.094	-0.188	50	10	BBGE	
C[C@H](OCCCN1CCCC1)C(=O)NN	1974676762	DOKFTZPPROOYMO-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)(C)[C@@]1(O)CCN(CC(=O)NN)C1	1974895227	NENJYQIFRAWREM-SNVBAGLBSA-N	215.297	-0.541	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCSCC1(C)C	1980963317	AISQNJGVGGOXNP-MRVPVSSYSA-N	247.364	-0.181	50	10	BBGE	
OB(O)c1cnccc1N1CC2(CC2)CO1	1981408770	FBNYLTDIJZOIDI-UHFFFAOYSA-N	220.037	-0.707	50	10	BBGE	
C=C1CON(c2nc(C)ccc2B(O)O)C1	1981446636	ZOWVYCYNMJTEPZ-UHFFFAOYSA-N	220.037	-0.622	50	10	BBGE	
CO[C@H](C)COc1ncc(B(O)O)cc1C	1986052077	PEZNMFDZAPQKJY-MRVPVSSYSA-N	225.053	-0.516	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1CC(N)=O	1986121549	AMCYFOLBJBOGSM-MRVPVSSYSA-N	228.296	-0.904	50	10	BBGE	
CC1(COc2ncncc2B(O)O)CCC1	1989510869	TYKOPMKDNGXHHZ-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NCC=CB(O)O)O1	1991339761	XOAWSQWADRCCFG-DTWKUNHWSA-N	227.069	-0.372	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@H]1COC[C@@H]1O	1991649476	CHBACPZLKYZNBY-YUMQZZPRSA-N	247.678	-0.178	50	10	BBGE	
COC[C@H]1CNCCN1C(=O)/C=C/C(=O)Cl	1991713116	OYYNUPJAEJMQQH-UFUPEUMYSA-N	246.694	-0.245	50	10	BBGE	
CN1CCNC[C@H]1CNC(=O)/C=C/C(=O)Cl	1991715033	ORBVVAWCJAUQHL-SGJFDWMWSA-N	245.710	-0.672	50	10	BBGE	
C[C@H](CN1CC[C@H](O)CC12CCC2)C(=O)NN	2003751945	BKNUFIMBUNPOIJ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN1C(=O)CN(C2CC2)C1=O)C(=O)NN	2003829615	ZFYXCIGYVDUJBQ-ZCFIWIBFSA-N	240.263	-0.961	50	10	BBGE	
CN1CCC[C@@H]1[C@@H]1CCCN1CCC(=O)NN	2004364778	MGNSOQDNDFAEEO-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@H](N)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C#N)CC1	2006354566	XWKQCSJNNHTDQU-GUBZILKMSA-N	237.303	-0.153	50	10	BBGE	
Cc1ncncc1CN(C)[C@H](C)CC(=O)NN	2009049313	HTCUPOVPJHXNEV-MRVPVSSYSA-N	237.307	-0.015	50	10	BBGE	
N#CCC1CN(Cc2cc(C(=O)NN)no2)C1	2013465441	FHFDXVJFPNXCCW-UHFFFAOYSA-N	235.247	-0.376	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CC[C@@H]2C1	2014924024	GITYLJDJZWDBBU-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1ncc(F)cc1B(O)O)C2	2014930139	PQEVJUQIVORRRD-HQJQHLMTSA-N	236.055	-0.253	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CO[C@@H](C)C1	2019219162	JTVIVSDOSQRVDG-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
O=C(N[C@H]1CCOC1)N[C@@H]1CCC=C1B(O)O	2020062827	UUPWOIUUVWKAFK-IONNQARKSA-N	240.068	-0.825	50	10	BBGE	
C[C@]1(F)C[C@H](Cn2cc(B(O)O)ccc2=O)C1	2021391525	WVPZGRUQAVSCGN-JLIMDTESSA-N	239.055	-0.334	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](CB(O)O)C(=O)O	2022429996	ZDGIZKHDBPHBTH-BIIVOSGPSA-N	243.068	-0.679	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1COc1ncncc1B(O)O	2022580220	UAAGDGALEPZPMB-BDAKNGLRSA-N	236.080	-0.173	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)Nc1cccc(B(O)O)n1	2025665191	ZLPZIQYGROCIOE-QUBYGPBYSA-N	238.027	-0.552	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3CO[C@@H](C3)C2)c1	2034885247	DTUYONAFQYZYJR-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
CN(C)C[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2052466389	IERQLMSXZFCXHZ-JTQLQIEISA-N	249.123	-0.851	50	10	BBGE	
Cc1cnc(N2C[C@@H]3CCO[C@H]3C2)c(B(O)O)c1	2052620527	UYQMBOSBUNZJBR-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
O=Cc1c(B(O)O)ccc(F)c1Cl	2060111121	IUWLYYGAVWDRLB-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
C[C@@H]1C[C@]1(C)Cn1cnc2c(B(O)O)ncnc21	2070919408	WRAJUYOMGFWRIH-RDDDGLTNSA-N	246.079	-0.448	50	10	BBGE	
Cn1cnnc1COCc1ccc(B(O)O)cc1	2080334085	ZDYRNESHPVTLCL-UHFFFAOYSA-N	247.063	-0.788	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1Cc2ncnc(O)c2C1	2085233912	AUOGIORNAOXDSQ-NKWVEPMBSA-N	249.274	-0.876	50	10	BBGE	
C#CC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2212603439	GBHRTXQABFSHAJ-VIFPVBQESA-N	219.049	-0.140	50	10	BBGE	
C#C[C@H]1CCCN1c1ccc(B(O)O)cn1	2212605960	MJOCUFIETOGIEA-JTQLQIEISA-N	216.049	-0.637	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNc1ncccc1B(O)O	2212612262	JDENUHUNMPOFQG-OIBJUYFYSA-N	224.044	-0.079	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@H]1CCN2CC(F)(F)C(=O)NN	2213353852	IMOVKMOAKKRITK-FJXKBIBVSA-N	249.261	-0.543	50	10	BBGE	
CN1CCC[C@@H](COCCOCC(=O)NN)C1	2214885378	DDUBLBWKZYGQQM-SNVBAGLBSA-N	245.323	-0.649	50	10	BBGE	
C[C@H](CO)CC1CN([C@@H](C)[C@H](C)C(=O)NN)C1	2216752542	VYVWAIQWHRHOFS-GUBZILKMSA-N	243.351	-0.049	50	10	BBGE	
C#C[C@@H](Nc1ncc(B(O)O)cn1)C(C)(C)C	2217176001	QEXCHZHTPYURSS-SECBINFHSA-N	233.080	-0.384	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@]23CCOC3)nc1	2217178763	AWJISHFWVHBFLW-KOLCDFICSA-N	234.064	-0.648	50	10	BBGE	
C[C@H]1CO[C@H](CNc2ccc(B(O)O)cn2)C1	2217179699	BEAQNDOUZLESHO-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
C#CC[C@@H](Nc1ccc(B(O)O)cn1)C1CC1	2217183517	IWLJZFQVILKASR-LLVKDONJSA-N	230.076	-0.025	50	10	BBGE	
Cc1ncncc1Nc1ccc(B(O)O)cn1	2217184201	QUPGYIKVFGURTQ-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
CNC1(COc2cc(B(O)O)c(C)cn2)CC1	2217184291	RPLUOMUMFBKNIE-UHFFFAOYSA-N	236.080	-0.799	50	10	BBGE	
N#C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCO1	2220058119	KBRMBYHFRITAHT-GFCCVEGCSA-N	246.075	-0.909	50	10	BBGE	
CN(C)CC1(Nc2cc(B(O)O)ccn2)CCC1	2223636059	FJWVEWFYQQODHK-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](N)[C@H]1CCCCN1c1ncccc1B(O)O	2223667705	USAFIZYWGAWGMP-GXSJLCMTSA-N	249.123	-0.533	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CNc1ncccc1B(O)O	2223669845	PFHDIWRNMIKIMH-GXSJLCMTSA-N	249.123	-0.309	50	10	BBGE	
CC(=O)NS(=O)(=O)N1CC(Cl)C1	2241348317	QBMVWUAPHSWTTH-UHFFFAOYSA-N	212.658	-0.710	50	10	BBGE	
NC(=O)[C@H](N)CN[C@H]1C[C@H](Br)C1	2242407880	JOOPNALGEVQSQO-HSUXUTPPSA-N	236.113	-0.686	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2243363872	NRWWFEGJKSUDIJ-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]1CF	2243408875	WWIYXVBSYXWCCQ-ZETCQYMHSA-N	227.000	-0.857	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243414463	BGBFCBPBSYGXCO-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
CCC[C@H](CCO)NC(=O)[C@H]1C[C@H]1B(O)O	2243414839	IYZZOBGFHCEPFD-HRDYMLBCSA-N	229.085	-0.483	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CC[C@@H]1N	2243427421	VDZFXBLXZAHILO-XSPKLOCKSA-N	226.085	-0.813	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)OCC	2243440048	JFVUSGAATNEJSA-UHFFFAOYSA-N	225.053	-0.245	50	10	BBGE	
C[C@@H](O)C(=O)Nc1ccc(Cl)cc1B(O)O	2243664334	LYIRLURSVWZMFE-RXMQYKEDSA-N	243.455	-0.661	50	10	BBGE	
O=C(Nc1nccs1)c1cocc1B(O)O	2244212837	VWRWIAXNGOWKGM-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CCOCCCNC(=O)c1coc(B(O)O)c1	2247731989	BPSXMRVSAUHGMU-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1coc(B(O)O)c1	2247733475	NOPOPYLZRPYFGK-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1coc(B(O)O)c1	2247733687	CXHDUXCEVGVYPL-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1ccc(B(O)O)s1	2247740615	NCOMIZBVJKZKSV-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
C[C@]1(F)C[C@H](NC(=O)c2ccc(B(O)O)o2)C1	2247742462	PBJCGBGUPLQIFF-HDKIZWTHSA-N	241.027	-0.420	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1F	2247752309	MTTINDSEJJTZNP-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]1CCO)C1(B(O)O)CC1	2247754615	GRNLSZLSVHWFQB-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
CC1(C)CCN[C@H]1CNC(=O)C1(B(O)O)CC1	2247756290	SLBZQOGKEMMTCG-QMMMGPOBSA-N	240.112	-0.502	50	10	BBGE	
O=C(NCCCC1CNC1)C1(B(O)O)CCC1	2247759151	ZFKHZYSSDNCTMH-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
CCCCN(C)C(=O)c1cncc(B(O)O)c1	2247775361	KKXGHDZZIWPDCP-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
CC(C)CCN(C)C(=O)c1cc(B(O)O)n[nH]1	2247784573	XJGSYKQNFFXQKF-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H](C)N1C	2247800179	LZDLHGJKHKFZOV-UTINFBMNSA-N	240.112	-0.600	50	10	BBGE	
Cc1cc(C(=O)N[C@H](C)C2CC2)oc1B(O)O	2247800651	RFEGBTKFIAEEPN-SSDOTTSWSA-N	237.064	-0.204	50	10	BBGE	
COc1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247805709	KRRXHISBKFCFBD-HTQZYQBOSA-N	236.036	-0.108	50	10	BBGE	
O=C(C#CB(O)O)NCC12CCC(CC1)OC2	2247848228	IRDSJYMDXOUPLV-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CC1(C)COCC[C@H]1CNC(=O)C#CB(O)O	2247850994	VDNGDIAVTMMRNY-VIFPVBQESA-N	239.080	-0.819	50	10	BBGE	
O=C(NC1(C(F)F)COC1)C1(B(O)O)CCC1	2247853841	SINHQLOEFBQWBT-UHFFFAOYSA-N	249.022	-0.466	50	10	BBGE	
C=CC=CCCNC(=O)c1ccoc1B(O)O	2247869816	YWNOLMXRWQANTP-UHFFFAOYSA-N	235.048	-0.179	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1coc(B(O)O)c1	2247870254	GZQJXUUGIMTNLB-IONNQARKSA-N	237.064	-0.122	50	10	BBGE	
N[C@H]1CCC[C@@H](NC(=O)C2(B(O)O)CC2)CC1	2247870442	JUELHLVMFNLSQG-DTWKUNHWSA-N	240.112	-0.230	50	10	BBGE	
C[C@@H]1CN(C(=O)c2occc2B(O)O)C[C@H]1F	2247875051	RYQKNVJOWMIZDC-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
Cc1nocc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247888056	VJHXWBYPMWHHBT-XWEPSHTISA-N	238.052	-0.148	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)C(=O)[C@H]1C[C@H]1B(O)O	2247895230	QCRFWLDWSBEXCI-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1C[C@@H](O)[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898793	HSERVLJOYFCQQO-MQIGXGKASA-N	241.096	-0.533	50	10	BBGE	
O=C(N[C@@H]1CC12CC(O)C2)[C@H]1C[C@H](B(O)O)C1	2247898965	IYDZIVUTYHCIKM-GHVKHHFRSA-N	239.080	-0.731	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CO2)[C@@H]1C[C@@H]1B(O)O	2247900630	YJLDWBCHSKIPMW-GENCIFFESA-N	239.080	-0.467	50	10	BBGE	
C[C@]1(C(=O)O)CCN(C(=O)C2(B(O)O)CC2)C1	2248577189	KXESGANXZGAESJ-VIFPVBQESA-N	241.052	-0.683	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2COC3(CCC3)C2)n1	2248803893	TZIFLWRGOZBHQW-SECBINFHSA-N	236.080	-0.478	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(B(O)O)o1	2255461417	HPMUZDGEXIWEAU-JKKWTZJKSA-N	247.059	-0.656	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)c1ccco1	2255550989	QWGDRAQKGUBZIR-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
Cc1ccc(CNC(=O)c2cc(B(O)O)c[nH]2)o1	2255670194	DNDDNTKHZQQGFQ-UHFFFAOYSA-N	248.047	-0.474	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@@H]1CC[C@H]2C[C@@H]21	2255671128	MZBHDOVILFDYPW-OVYXKVPISA-N	248.091	-0.435	50	10	BBGE	
C#C[C@H](C)CNC(=O)Nc1ccc(B(O)O)cc1	2255891502	VJORLAOEWFBCRP-VIFPVBQESA-N	246.075	-0.243	50	10	BBGE	
C=CCCCCNC(=O)c1nccnc1B(O)O	2256061428	UBLZSRAUJBYJNX-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ncc(B(O)O)cc1C	2257491077	KFWKXDDKXRZXRG-UHFFFAOYSA-N	248.091	-0.236	50	10	BBGE	
O=C(Nc1ncco1)c1cc(F)ccc1B(O)O	2263394745	LMIIKCVRFJWJQU-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@H]2CNC[C@@H]21	2298369018	GCPZSLUMSYPLEY-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298370105	OYOSERVIAWFKOG-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
C[C@@](N)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2298370196	RGZFJUWWHBBSNT-WCABBAIRSA-N	240.112	-0.517	50	10	BBGE	
C[C@H]1CC[C@H](CN(C)C(=O)[C@@H]2C[C@H]2B(O)O)O1	2298371899	ZAWKLOAUIVYLTM-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)C1(B(O)O)CCC1	2298560111	KOSFCDKZHGMBSI-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C#CB(O)O	2298600229	AZFAZMAECSPHHX-AXFHLTTASA-N	235.092	-0.104	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)NC(=O)C1(B(O)O)CC1	2302031234	GPCXTZBGSXLWQV-QMMMGPOBSA-N	243.112	-0.095	50	10	BBGE	
CN1CCC[C@]1(C)C(=O)N1CC[C@H](B(O)O)C1	2303105427	PDJKFSLDSAKPOE-GXSJLCMTSA-N	240.112	-0.454	50	10	BBGE	
COC1CC(C(=O)N2CC[C@@](C)(B(O)O)C2)C1	2303110828	DLYRLCYINPUQKB-NWGYLPEXSA-N	241.096	-0.123	50	10	BBGE	
CN(CC1(N)CC1)c1ccc(C=O)c(B(O)O)c1	2317308889	NLQXHURUKKWIKC-UHFFFAOYSA-N	248.091	-0.894	50	10	BBGE	
Cc1ccnc(Cn2nc(C)c(B(O)O)c2C)c1	2320484344	ZQWYAHGNNUKOHV-UHFFFAOYSA-N	245.091	-0.069	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)ncc1F	2320795893	AWQPRALSZATCHI-GLLZPBPUSA-N	248.066	-0.255	50	10	BBGE	
CC(C)(C)OC(=O)C[C@@H](N)/C=N/NC(N)=O	34455925	SYDQNOWIHWGBBF-HDDZKMFUSA-N	230.268	-0.300	50	10	BBGE	
Cc1nccn1C[C@H]1CC[C@H](C(=O)NN)O1	82468399	FGGDMRLHXUXCLW-RKDXNWHRSA-N	224.264	-0.271	50	10	BBGE	
NNC(=O)CN1CC[C@H](N2CCCC2)C1	82469112	CSINQZIHYXBXGV-VIFPVBQESA-N	212.297	-0.854	50	10	BBGE	
NNC(=O)CCN1CCCN2CCC[C@@H]2C1	82469358	UWMXHMNMWPIUHT-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@H](N)C1	82470173	AMIHODYFMYJHNP-IUCAKERBSA-N	214.313	-0.432	50	10	BBGE	
CCCN(CCO)CC(C)(C)C(=O)NN	86597892	VBGCIZWAECRZRQ-UHFFFAOYSA-N	217.313	-0.293	50	10	BBGE	
NNC(=O)C(F)(F)Oc1ccccc1C(N)=O	113169098	ORIFXTADNYCJIR-UHFFFAOYSA-N	245.185	-0.253	50	10	BBGE	
CO[C@H]1N=CC=C[C@]1(Br)B(O)O	199617546	FRBXGPUPVOOSFB-PHDIDXHHSA-N	233.858	-0.255	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@H](O)C1	211858876	WCKMZQJIBYKMPL-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)C1CC1	211912167	FCIGOHGXUVUZKX-VIFPVBQESA-N	215.297	-0.398	50	10	BBGE	
CCOC1CCN([C@@H](COC)C(=O)NN)CC1	232419409	YPLIZJBQYIZHCP-JTQLQIEISA-N	245.323	-0.508	50	10	BBGE	
OCc1cncc(B(O)O)c1C(F)(F)F	238729355	KFWWNXOODYZWDV-UHFFFAOYSA-N	220.943	-0.728	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCCN(C)C1	251235580	RQVKKOWCYIACIL-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCOC1	251529599	DVEOBVOTBJUQIU-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CCN([C@H](C)COC)[C@H](COC)C(=O)NN	299999586	WYXKRHICHSYRMV-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
CN1CCCN(C[C@H](O)CCl)S1(=O)=O	306861508	FNBWHDFDNXEUGI-SSDOTTSWSA-N	242.728	-0.532	50	10	BBGE	
O[C@H]([C@@H]1CO1)[C@H]1O[C@H]1CBr	307384724	JWAUKJBDJBETJU-AZGQCCRYSA-N	209.039	-0.092	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@]12CCOC2	380111696	RZMHJGQFQDEJFN-SCZZXKLOSA-N	213.281	-0.380	50	10	BBGE	
CN(C)CC(=O)c1ccc(F)c(B(O)O)c1	380813324	KLNHXEVDTNHTPP-UHFFFAOYSA-N	225.028	-0.750	50	10	BBGE	
CCCS[C@H]1CCN(C(=O)C(=O)NN)C1	382933464	KZCWEHRVSWZIJW-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
C[C@@H](CN1C[C@H]2[C@H](N(C)C)[C@H]2C1)C(=O)NN	384733062	KBZKFUWIJCLMJZ-AXTSPUMRSA-N	226.324	-0.896	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCCCO	384812946	DSZHHKJWINPEIM-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
C[C@H](Cl)c1cn(C[C@@H](O)CO)nn1	388749152	ZUCVAABSIQWHTH-NTSWFWBYSA-N	205.645	-0.069	50	10	BBGE	
O=C(O)C(=O)C(=O)NNc1ccccn1	389973416	DCWYCHVZMYWSNJ-UHFFFAOYSA-N	209.161	-0.822	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCCCO2)nc1	390231211	HGZSYUCLNNGMGT-JTQLQIEISA-N	223.037	-0.333	50	10	BBGE	
COC(=O)CCc1ccc(S)c(B(O)O)c1	396009442	ACXULHZPEAZKPM-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
COc1ccc(CC(C)=O)c(B(O)O)c1	396026078	VVUYMJOTGAOAGT-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
CCC(=O)c1cc(B(O)O)ccc1C(=O)OC	396138299	OSBAFFYWSOYAQV-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC[S@](C)=O	399897640	JKUIJVSKGWYSED-WJWGPLDTSA-N	221.326	-0.935	50	10	BBGE	
CC[C@@H](C)C(=O)Nc1cc(B(O)O)ccn1	405056755	MEUSOWPWTCLVTK-SSDOTTSWSA-N	222.053	-0.254	50	10	BBGE	
O=C(Cn1cccn1)Nc1ccccc1B(O)O	405069635	YYBPGYNSLZVQMF-UHFFFAOYSA-N	245.047	-0.798	50	10	BBGE	
N#Cc1ccccc1C[S@](=O)CC(=O)NN	586375540	FXCWSKYTGDXFMC-INIZCTEOSA-N	237.284	-0.203	50	10	BBGE	
COC[C@@H](COc1ccccc1B(O)O)OC	694717854	RPZOWXKEAYPEIM-VIFPVBQESA-N	240.064	-0.593	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@H]1C1CC1	699058214	AKHZWZJCKMRSJF-VHSXEESVSA-N	246.075	-0.254	50	10	BBGE	
CCO[C@@H]1CCN(CCCC(=O)NN)C1	701693607	VASIGVKDURXOOO-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H](CN1CCC[C@@H](N2CCC2)C1)C(=O)NN	702241064	WDYJOQKKTJCXQH-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CO[C@@H]1CN(C(=O)NN(C)C)[C@@](C)(C(=O)O)C1	702723015	IRIZOGHGCNCEAT-OIBJUYFYSA-N	245.279	-0.263	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)COC2=O)cc1	709026093	YUKDPDIJBHQIAA-UHFFFAOYSA-N	249.226	-0.231	50	10	BBGE	
CN(C)NC(=O)[C@]1(CN)CCCOC1	710344350	NLBGLGFKEUSXJQ-VIFPVBQESA-N	201.270	-0.665	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC2(CCC2)CO1	716572865	IQPYTWZVKHQAFJ-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](C)CC1	720478709	ZLTSUWUUHUTECG-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CC1(C)CC[C@H](C(=O)NNC(=O)CO)O1	787912358	NEXYVTOEQXQVIR-ZCFIWIBFSA-N	216.237	-0.916	50	10	BBGE	
NNC(=O)NC[C@@H]1COc2ccccc2O1	794905856	SEOLUKPDHPIBNF-SSDOTTSWSA-N	223.232	-0.001	50	10	BBGE	
CCNC(=O)CC(=O)NN=c1cc[nH]cc1C	862501194	CDOPSNYPIBSDAK-UHFFFAOYSA-N	236.275	-0.219	50	10	BBGE	
NNC(=S)NNC(=O)c1ccco1	1088706726	OIORTOFZXZCIPH-UHFFFAOYSA-N	200.223	-0.738	50	10	BBGE	
O=C(Nc1nncs1)c1ccc(B(O)O)cc1	1441750062	NOSDMMRHKHPJTF-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CCn1ccc(C(=O)NNC(=O)c2cn[nH]c2)n1	1533773717	DXUXETGHVHXKLL-UHFFFAOYSA-N	248.246	-0.299	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C	1540384212	VZLZOSURIBQQCP-WDSKDSINSA-N	229.236	-0.713	50	10	BBGE	
C=C(CCC(=O)OC)C(=O)NN(C)C[C@@H](C)O	1556925929	APRHRFUTVZNWPV-SECBINFHSA-N	244.291	-0.160	50	10	BBGE	
COCC#CC(=O)NNC(=O)c1ccc[nH]1	1587352331	OQCKFEOFZJHMOF-UHFFFAOYSA-N	221.216	-0.575	50	10	BBGE	
O=C(CO)NNc1nc(-c2cccnc2)no1	1629315372	RABIDQVVVYBSIP-UHFFFAOYSA-N	235.203	-0.433	50	10	BBGE	
C=C[C@H](O)C(=O)NNc1nc2ccccn2n1	1638545969	XQXPCJFZKLAXJT-ZETCQYMHSA-N	233.231	-0.281	50	10	BBGE	
C#CCNC(=O)NNC(=O)c1cnsn1	1675375243	DVJWXJNIXYIUKL-UHFFFAOYSA-N	225.233	-0.885	50	10	BBGE	
NCC1(NC(=O)[C@@H]2C[C@@H]2Br)COC1	1877410861	BZDIOUQSHCVVMJ-RITPCOANSA-N	249.108	-0.386	50	10	BBGE	
N=C(NN)N[C@H]1C[C@@H](Br)C1	1880046187	UTRUZJUCBIZISG-ZXZARUISSA-N	207.075	-0.100	50	10	BBGE	
COCCN[C@@H]1CS(=O)(=O)C[C@@H]1Cl	1882021626	JDCUEPHTCHXXNE-NKWVEPMBSA-N	227.713	-0.373	50	10	BBGE	
NCCNCC[S@](=O)C[C@H]1C[C@H]1Cl	1883554518	VCSNRTYTDNTVNV-RBDZCENOSA-N	224.757	-0.089	50	10	BBGE	
OC[C@@H]1[C@@H]2C[C@H]2CN1C[C@@H](O)CCl	1883800836	GGKCSFGKJLNLMJ-RBXMUDONSA-N	205.685	-0.101	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1CO	1886212184	XPMUZXWJMZILFD-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
C=CCS(=O)(=O)N1CC[C@@H](B(O)O)C1	1891607597	XCPHBLAHYPJTKL-SSDOTTSWSA-N	219.071	-0.949	50	10	BBGE	
CN1CC(=O)N(C[C@H]2C[C@H]2Cl)CC1=O	1893097581	CILHSKXRJPSOSL-RNFRBKRXSA-N	216.668	-0.086	50	10	BBGE	
COCCNCCNC(=O)[C@@H]1C[C@H]1Cl	1893454498	XHRHJABOPHRTHO-HTQZYQBOSA-N	220.700	-0.034	50	10	BBGE	
O=C1C[C@H](CNC(=O)[C@H]2C[C@@H]2Cl)CN1	1893470136	PTZBWYYAGBVYQA-ACZMJKKPSA-N	216.668	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CCCC1=O	1893840544	RNITTZUPDBQQIC-ZCFIWIBFSA-N	213.237	-0.706	50	10	BBGE	
COC(=O)c1ccc([C@@H](N)[C@@H](O)C#N)n1C	1894493862	XSMKMHOMEQHVGJ-DTWKUNHWSA-N	223.232	-0.304	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1[C@H](C)CCCC(=O)NN	1901753774	ZLHIWRPZODMHSQ-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CCC1(O)CN([C@H](C)CCCC(=O)NN)C1	1901762770	MLGDIPNJXBVLKC-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CCN1CCC(N(CC)CC(=O)NN)CC1	1901778612	XSXZZEZEJSXWMB-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C(=O)[C@H]1C[C@H]1B(O)O	1902137309	FRACWQBKMIYUDQ-DJLDLDEBSA-N	229.085	-0.675	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCCC[C@@H]2C[C@@H]21	1902419037	AJPSOWZZBHMODA-KXUCPTDWSA-N	221.065	-0.303	50	10	BBGE	
Cc1nonc1CN1CC[C@](C)(B(O)O)C1	1902517567	JJXWAISRGSNEAJ-VIFPVBQESA-N	225.057	-0.183	50	10	BBGE	
C[C@H](CN1C[C@H]2CC[C@H]1[C@@H](O)C2)C(=O)NN	1904371865	WUHFKMNYCASKSX-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C[C@H]1C[C@]1(F)C(=O)NCC=CB(O)O	1905730689	BUCNGSGWAXXMSL-POYBYMJQSA-N	201.006	-0.581	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)N[C@@H]2CC[C@@H]21	1906857273	SKYSQLFFGSIZBY-HLTSFMKQSA-N	240.307	-0.892	50	10	BBGE	
CNC(=O)[C@@H](C)N(C)C(=O)CBr	1916826661	RVYLSLXMRJXEAN-RXMQYKEDSA-N	237.097	-0.026	50	10	BBGE	
COC[C@H](C)N(C)C[C@H]1C[C@H]1C(=O)NN	1927913447	JGZGHWOBADKOLM-DJLDLDEBSA-N	215.297	-0.421	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COCCOC1CC1	1927917421	KQDOUFYMTBGBSA-IONNQARKSA-N	214.265	-0.192	50	10	BBGE	
CN(CCCl)C(=O)CCn1cnnn1	1928688410	HJESNBLRTZLDEH-UHFFFAOYSA-N	217.660	-0.240	50	10	BBGE	
N[C@H](CO)C(=O)NCC(Cl)Cl	1931764913	NWCCUDBUPRNBHQ-GSVOUGTGSA-N	201.053	-0.774	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H](O)CCO1	1933454673	PTIJLNLBONKDBP-RQJHMYQMSA-N	207.657	-0.119	50	10	BBGE	
CO[C@@H]1CCCN([C@@H](C)C(=O)NN)[C@@H]1C	1934293329	XGPLQRLUIWXWTA-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
CN(Cc1cc(C(=O)NN)no1)C1CSC1	1936307359	ZPQSIBXJCMUVBD-UHFFFAOYSA-N	242.304	-0.175	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]1C1CCOCC1	1936636513	FAPUSPOOXZVYDS-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN(C)C1CC1	1936674964	AFEDPEJGQAOBMQ-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](Cl)CCNC(=O)Cn1cnnn1	1937159481	ILWJMSQBMMSOKV-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCN(C2CC2)CC1	1941079001	NOPZMVMUECVVKU-MWLCHTKSSA-N	238.335	-0.608	50	10	BBGE	
CO[C@H](CN(C)C[C@@H]1C[C@H]1C(=O)NN)C1CC1	1941085374	LNSPFMWPZIDGQZ-HBNTYKKESA-N	241.335	-0.031	50	10	BBGE	
C[C@@H]1CCCN(CC2(C(=O)NN)CC2)[C@H]1CO	1945884256	NHXMMZBIOZYICY-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOC2(CCC2)C1	1946407436	IRJPZDLGZLPTLN-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H](CO)C1	1948807615	SCBPDEKDCVDHNI-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
COC1(C(=O)N2CC[C@H](B(O)O)C2)CCC1	1951319977	BNLPGMUAEIHDDZ-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
N#C[C@@H](O)Cc1ccc(S(N)(=O)=O)cc1	1951426324	XKMXGDNJWGXONP-QMMMGPOBSA-N	226.257	-0.239	50	10	BBGE	
COC[C@@H](C)C(=O)N1CCC(B(O)O)CC1	1964499935	DLMCXKHBCWZBMG-MRVPVSSYSA-N	229.085	-0.266	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@@H](C2)[C@@H]1CO	1975152874	PSPSMEKUAIPPAE-CIUDSAMLSA-N	213.281	-0.788	50	10	BBGE	
CC(C)OC(=O)Nc1ncc(B(O)O)cn1	1976031600	JYZWJXDPDCRSHB-UHFFFAOYSA-N	225.013	-0.887	50	10	BBGE	
CN=c1nc(N2CCC(O)(C#N)CC2)s[nH]1	1979373933	HYSNHFHGHJDXBU-UHFFFAOYSA-N	239.304	-0.143	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@H]2C[C@H]21	1980228567	MPNPTLZTMBCPRP-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](CN1CCN(C)C2(CC2)C1)C(=O)NN	1987899038	DVRMBFAPTVEDNI-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1CC(F)(F)C(=O)NN	1990041686	VCMMFOWYONSUEM-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
CSC1CCN(CC(=O)NNC(C)=O)CC1	1990775212	SMFDHVZJQLTEOR-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
CCn1ccc(C(=O)NCC=CB(O)O)n1	1991327683	BROHCYBVEVIYIX-UHFFFAOYSA-N	223.041	-0.799	50	10	BBGE	
C[C@H](CS(=O)(=O)NCC=CB(O)O)C1CC1	1991346419	VLIMFXULVYBBCR-MRVPVSSYSA-N	247.125	-0.480	50	10	BBGE	
O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)[C@H]1C[C@H]1Cl	1991674639	GKOILYBSHOLCQW-CLIVKXMMSA-N	247.678	-0.044	50	10	BBGE	
CCc1cc(B(O)O)ccc1OCCOC	1991834176	TWEVTNWPFFDADN-UHFFFAOYSA-N	224.065	-0.046	50	10	BBGE	
CN(C(=O)C(=O)NN)C1(CO)CC2(CCC2)C1	2000579380	XOQDJTHTGLVYHP-UHFFFAOYSA-N	241.291	-0.870	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1C[C@H](C)C(=O)NN	2003619533	HWAUCVNOTZNZOO-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
OB(O)c1ccc(N2CC3(C2)CC3(F)F)nc1	2004916516	MHOSFOQEQGLGLE-UHFFFAOYSA-N	240.018	-0.393	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)c1ccncc1B(O)O	2004935001	KEYPNPUEMPPSHG-SCZZXKLOSA-N	236.080	-0.625	50	10	BBGE	
Cc1ncnc(Sc2ncccn2)c1B(O)O	2005007168	AQWQIMMLDWMMPB-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CCOC1(CO)CN(CC(C)(C)C(=O)NN)C1	2005156099	BXNIRFOZGJFTJN-UHFFFAOYSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]1C[C@@H]2O	2008872101	ZTJDZPLFAOCTNZ-CSMHCCOUSA-N	249.261	-0.543	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2C[C@H]2F)c1B(O)O	2014736591	YGRKLAGDGFILHW-JGVFFNPUSA-N	239.059	-0.741	50	10	BBGE	
OB(O)c1ccn(C[C@H]2CC3(CCCC3)O2)n1	2015569708	BYTHUOCFONMKGX-SECBINFHSA-N	236.080	-0.335	50	10	BBGE	
N#CC1=CCN(C(=O)C2(N)CC(CO)C2)CC1	2018350400	DEHFTJVSXPMAFN-UHFFFAOYSA-N	235.287	-0.232	50	10	BBGE	
CCO[C@H]1C=CCN(CC(=O)NNC(C)=O)C1	2019208144	FMRXPRKNQYMGRT-JTQLQIEISA-N	241.291	-0.569	50	10	BBGE	
O=C(C[C@H]1CC12CC2)N[C@H](CB(O)O)C(=O)O	2026418414	ZOGQMSISUHAHDL-NKWVEPMBSA-N	241.052	-0.781	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@]23CNC[C@H]2COC3)CC1	2042770701	PXXZDFHEZFOSLH-WCQYABFASA-N	247.298	-0.095	50	10	BBGE	
Cn1ncc2c1CN(c1ccncc1B(O)O)C2	2052492835	RXHOFFKKHGFWRO-UHFFFAOYSA-N	244.063	-0.985	50	10	BBGE	
OB(O)c1cccnc1N1CCC12CCOCC2	2052499502	UWXXWSVXSGZZMB-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COCC[C@H]32)cc1	2073062633	XYKYNSHRKFEJSP-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1Cc2ccccc2O1	2076082390	TWNPZSPOIJEGOX-LLVKDONJSA-N	247.059	-0.326	50	10	BBGE	
CC[C@H](S[C@@H]1CCNC1)C(=O)NN	2209390762	ATYFMJWIAUMSAH-RQJHMYQMSA-N	203.311	-0.150	50	10	BBGE	
COCCOCc1cscc1B(O)O	2209703750	VPUFGKZDFZSXQM-UHFFFAOYSA-N	216.067	-0.409	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H]1CCNC1	2210079089	ZUAVGKPYOBCAAO-SSDOTTSWSA-N	217.294	-0.751	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H]1C[C@@]2(C)O)C(=O)NN	2210373067	BVXZKHGQMIYKCV-SDNRWEOFSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H](OCC1CC(OC)C1)C(=O)NN	2212233159	GJPAGGIZQBDJKX-AMDVSUOASA-N	232.280	-0.567	50	10	BBGE	
CNCC[C@H](C)Oc1cc(B(O)O)ccn1	2212611851	FFXZGAUFAXFXTQ-QMMMGPOBSA-N	224.069	-0.862	50	10	BBGE	
COC[C@H](COC[C@@H]1CC[C@H]1C(=O)NN)OC	2215772183	MHHFSWLKMIHDQQ-IVZWLZJFSA-N	246.307	-0.320	50	10	BBGE	
CN1CCCN(C[C@H]2CC[C@@H]2C(=O)NN)CC1	2215776265	LTRIZQNYVTVBLP-MNOVXSKESA-N	240.351	-0.360	50	10	BBGE	
CCn1ccn(CC2(C(=O)NN)CCC2)c1=O	2216529821	HTJDMGDBAYOJEI-UHFFFAOYSA-N	238.291	-0.170	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2C[C@@]2(F)C1	2216597300	HRDWBGVUGHEUTQ-LDYMZIIASA-N	236.055	-0.300	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)[C@H]1C[C@@H](O)C1	2216881117	FCDAHBHXMMCSGG-AOOOYVTPSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CC[C@H]32)c1F	2217181596	RXRBGHDDLPNTCW-JIGDXULJSA-N	236.055	-0.032	50	10	BBGE	
C[C@@H](N(C)c1ccc(B(O)O)cn1)C(C)(C)O	2217201423	PMOMAWLHSKFQCJ-MRVPVSSYSA-N	238.096	-0.643	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1-c1ncccc1B(O)O	2223609824	NAVRKTGAWIUZSZ-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2)c1cc(B(O)O)ccn1	2223625148	CSFNMGDULFOHPL-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@H]3CC[C@H]2N3)nc1	2223627968	BVPQAMSSTSUWSH-FBIMIBRVSA-N	248.091	-0.719	50	10	BBGE	
N#Cc1ccc(Nc2ncc(B(O)O)cn2)cn1	2223666963	OZGPPEQSEFVAEX-UHFFFAOYSA-N	241.019	-0.833	50	10	BBGE	
C[C@H]1[C@H](N)[C@H](C)CCN1c1ncccc1B(O)O	2223669779	OJLBHXWDYCHCMY-WCABBAIRSA-N	249.123	-0.677	50	10	BBGE	
CO[C@@H](CBr)CNS(C)(=O)=O	2242441102	QPQFJGLOTAAWCN-YFKPBYRVSA-N	246.126	-0.055	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCOC(C)C	2242822952	JJGNYSJNKTWZHS-UHFFFAOYSA-N	225.053	-0.169	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)[C@H]1C	2243356634	LAIDHGFZNUBTDO-BQBZGAKWSA-N	222.053	-0.825	50	10	BBGE	
CO[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243363563	IXICMTPXWVVPND-SFYZADRCSA-N	227.069	-0.323	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2243365778	RZTUFWDSGYTIKF-MRVPVSSYSA-N	227.069	-0.369	50	10	BBGE	
C[C@]1(CCNC(=O)C2(B(O)O)CC2)CCN1	2243366047	WROZCUHTQNDBLY-VIFPVBQESA-N	226.085	-0.748	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC(CCCO)C1	2243420224	OTWWQIKZTNJMRD-DTWKUNHWSA-N	227.069	-0.920	50	10	BBGE	
CC(C)(F)[C@@](C)(F)C(=O)NCC#CB(O)O	2243685354	SDJGRBYBEHLAMF-VIFPVBQESA-N	233.023	-0.406	50	10	BBGE	
CC1(C)C[C@@]1(C)C(=O)NCCC#CB(O)O	2244548759	UEMHYWBXJDCCDI-NSHDSACASA-N	223.081	-0.056	50	10	BBGE	
CCCN(CCOCC(=O)NN)C[C@@H](C)O	2244882220	NUTABCKGNBIRLW-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C[C@H]1C[C@@H]1C(=O)NN	2245148186	RERXJFGWSSSBMF-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
C#C[C@@H](NC(=O)c1coc(B(O)O)c1)C(C)C	2247721510	FISTXPLGQWCMEO-SECBINFHSA-N	235.048	-0.653	50	10	BBGE	
CN(C)C1(CNC(=O)C2(B(O)O)CCC2)CC1	2247734318	RXYCQCKQZDRHRC-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
COc1ncc(NC(=O)C2(B(O)O)CC2)cn1	2247758649	WCHAXKISXKVFQO-UHFFFAOYSA-N	237.024	-0.569	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1scc(B(O)O)c1C	2247786548	CCDIKLNYFSHYGB-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOCC12CC2	2247798798	XHBYXKKBSVEXKM-KYZUINATSA-N	239.080	-0.369	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC12CC(CO)C2	2247805401	BPISZIMNJIODAG-QMFGVRBNSA-N	239.080	-0.777	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@@]12CCOC2	2247841810	MOWFNURDMNKROQ-NSHDSACASA-N	237.064	-0.827	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247852963	DCBZVUQMXCBHOE-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CC/C=C\CNC(=O)c1cc(B(O)O)oc1C	2247853673	PQBOPBPZAZKAIU-PLNGDYQASA-N	237.064	-0.036	50	10	BBGE	
N[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1C(F)F	2247874738	SWRRFOFEIUSWHK-PHDIDXHHSA-N	248.038	-0.956	50	10	BBGE	
CC1(C)CO[C@@H](CNC(=O)C2(B(O)O)CC2)C1	2247880391	ZYBHOYBJRDEUDK-MRVPVSSYSA-N	241.096	-0.075	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)C1CCC1	2247894691	JSLTZDYTDCKYSW-OPRDCNLKSA-N	240.112	-0.517	50	10	BBGE	
C#CCOC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894743	KJZFXQZPHLILTH-KYZUINATSA-N	237.064	-0.900	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247896320	YHXHRXWQADZILS-DOLQZWNJSA-N	241.096	-0.389	50	10	BBGE	
NC1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCCC1	2247900303	VQJCEEMEMIIWSP-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CN	2247900575	XYGWXNANEWJLGT-YIZRAAEISA-N	240.112	-0.707	50	10	BBGE	
CCN(C(=O)C1CC(B(O)O)C1)C1CN(C)C1	2247903976	NVKRQNDKPAYMIG-UHFFFAOYSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CNCCN(C(=O)C2CC(B(O)O)C2)C1	2247904634	QUFSCXYIBZTHKY-XNWIYYODSA-N	240.112	-0.693	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)NCCC#CB(O)O	2250000179	FTPRQJGTHALRRE-UHFFFAOYSA-N	235.052	-0.838	50	10	BBGE	
O=C(NCCC#CB(O)O)c1cncc(F)c1	2250001602	YZQMDAWAACMVLB-UHFFFAOYSA-N	236.011	-0.644	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1C[C@@H]2C[C@H]2C1	2255445243	SSEJEISPLICPTD-YUMQZZPRSA-N	249.075	-0.204	50	10	BBGE	
CN(C[C@@H]1CC12CC2)C(=O)c1ccoc1B(O)O	2255462572	XFZKNJJHLNQVBL-QMMMGPOBSA-N	249.075	-0.169	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1c(F)cccc1B(O)O	2255509055	GYHSPKXXPFVPIJ-SECBINFHSA-N	249.050	-0.212	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CCCC12CCC2	2255546642	IHAGDXPLSQMRGP-UHFFFAOYSA-N	249.079	-0.752	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ncc(B(O)O)cn1	2255777128	XGJDTEUGAVEGQH-UHFFFAOYSA-N	249.079	-0.829	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ncc(C)cc1B(O)O	2255790101	SAKGLMVZJVFHCM-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)Nc1cnoc1	2255915740	AVNFAPWPKWMUFA-UHFFFAOYSA-N	247.019	-0.002	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)co2)C1	2258131946	ATOGJUQLYHYGMZ-WCBMZHEXSA-N	247.059	-0.509	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@H]1[C@@H]2CO	2298371453	LPZXVJWBQNIWEY-VHGJHBJISA-N	239.080	-0.921	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2C[C@H](C1)[C@H]2O	2298542666	OWFVQWHUHHMVMJ-PVKPMHLGSA-N	239.080	-0.921	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H]1CNC(=O)CN1	2302403822	QBOBMUSCACEKMX-SECBINFHSA-N	242.323	-0.772	50	10	BBGE	
C[C@H](CN1CC[C@@H](B(O)O)C1)N1CCOCC1	2303154397	KDZPKMAFUINSJZ-GHMZBOCLSA-N	242.128	-0.744	50	10	BBGE	
CC[C@](C)(CN1[C@H]2C[C@@H]1CN(C)C2)C(=O)NN	2303412887	GDABEZFWXAHTQU-JFGNBEQYSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN[C@@H]2CC[C@H]12	2312614289	GPSQJZBGSMNKQY-GDPRMGEGSA-N	247.107	-0.686	50	10	BBGE	
O=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)c1coc(B(O)O)c1	2312857289	IOMAQLXODJZJDE-XKSSXDPKSA-N	247.059	-0.346	50	10	BBGE	
COC[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2317151423	QPGVUIZUYNLGNU-VIFPVBQESA-N	248.091	-0.068	50	10	BBGE	
C[C@]1(CO)CCN1c1ccc(B(O)O)cc1C#N	2317168122	QHCMOCCWJTWERV-GFCCVEGCSA-N	246.075	-0.801	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CC[C@@H]2O)cc1B(O)O	2317312175	CHCJWFXOMVMURC-UFBFGSQYSA-N	249.075	-0.638	50	10	BBGE	
NC(=O)[C@H]1CCCN1C(=O)NC(=O)CCCl	36906236	AHJPWISAUOETPS-ZCFIWIBFSA-N	247.682	-0.199	50	10	BBGE	
CCCCN(CCO)C(=O)CCCC(=O)NN	58846585	PGGNMDREJLCXMW-UHFFFAOYSA-N	245.323	-0.232	50	10	BBGE	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(N)=O	70187083	GZGIKCWCAPVFPS-UHFFFAOYSA-N	227.180	-0.754	50	10	BBGE	
NNC(=O)C1CCN(C(=O)C(F)(F)F)CC1	71478141	OLMOYEQQJAHOAW-UHFFFAOYSA-N	239.197	-0.223	50	10	BBGE	
NNC(=O)CCN1CCC(CO)CC1	82465777	XNOPBLSJKMEFPP-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCNCC1	86313622	NCIZCRVIKOSMLA-IUCAKERBSA-N	214.313	-0.704	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H](C)C1)C(=O)NN	127608100	GZUUZTVHLYFEGA-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
O=C1N[C@H]2CSSC[C@H]1NC2=O	146671487	UGQDRKXXFLEQNT-ZXZARUISSA-N	204.276	-0.635	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1CC[C@@H](C)O1	157454588	NXIWJDCZRBSBBX-SFYZADRCSA-N	230.264	-0.262	50	10	BBGE	
O=c1cccnn1Cc1ccc(B(O)O)cc1F	203470030	UOGWCCWMRSCUJJ-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
COCCOCc1cc(OC)ccc1B(O)O	203581627	DIHCUTDRHKPKFY-UHFFFAOYSA-N	240.064	-0.462	50	10	BBGE	
COc1ccc(F)c2[nH]c(B(O)O)cc12	238349581	AGRYXPLEMFLJEV-UHFFFAOYSA-N	208.985	-0.005	50	10	BBGE	
N#Cc1nccc(Br)c1B(O)O	238611888	KMYXQHZQFHDAQS-UHFFFAOYSA-N	226.826	-0.604	50	10	BBGE	
OB(O)c1cc(F)ncc1C(F)(F)F	238618516	KNUDXKPSHROZII-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1F)C(F)F	238653135	AJRFSDLSXCZIEL-SSDOTTSWSA-N	218.971	-0.230	50	10	BBGE	
CCS(=O)(=O)CC1=NC=C(C#N)S1(=O)=O	260112687	PTBTZWVIMILKHG-UHFFFAOYSA-N	248.285	-0.387	50	10	BBGE	
C[C@H]1CCN(CCC(=O)NN)[C@H]1CO	299910683	MIEFJNJFQCVOFZ-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CO[C@H]1COCC[C@]12CC(=O)OC2=O	306323657	MLUHEPWWSMKJSB-RCOVLWMOSA-N	200.190	-0.118	50	10	BBGE	
OB(O)c1c(O)sc2c(O)cccc12	306596067	YKNVMLKGOPQJIJ-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H]1CO2	307199799	BOGKAKAKEGZSFO-NTSWFWBYSA-N	211.670	-0.014	50	10	BBGE	
CCO[Si](OCC)(OCCN)OCCN	309122145	OHYMHMLJZSPVJD-UHFFFAOYSA-N	238.360	-0.554	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)C1(C)C	309284015	OAVQCMGWHSXOTI-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
CC1(COc2ccccc2B(O)O)OCCO1	310242309	TWZZFKCHUUMOKU-UHFFFAOYSA-N	238.048	-0.492	50	10	BBGE	
COCCOCc1cc(B(O)O)ccc1C	313753052	UUBBGFZZKPVAJK-UHFFFAOYSA-N	224.065	-0.162	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@@H](C)C1	313763797	YAJHMXCDOAXNLB-NSHDSACASA-N	249.119	-0.104	50	10	BBGE	
Cl[C@H]1COC[C@@H]1NCCn1cncn1	323405046	VANMBRGPPUOIFC-YUMQZZPRSA-N	216.672	-0.126	50	10	BBGE	
Cn1cc(C(=O)N2CCOC[C@@H]2CCl)nn1	380900822	XBNZRCYIJRMZLX-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
CCCCCCC(=O)NNC(=O)[C@H](N)CO	380998145	NGZPNBYJLHLEFI-MRVPVSSYSA-N	231.296	-0.576	50	10	BBGE	
CN(C)C1[C@@H]2CN(CCCCC(=O)NN)C[C@@H]12	384737795	KVOYMNJCBDEYJB-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)c1coc(Cn2cnc(C3CC3)n2)n1	386863350	WQFKYVZOOBYHOT-UHFFFAOYSA-N	248.246	-0.205	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](O)CC1	393187048	PYZKPHCGPDMVGM-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
COC(=O)CCc1cc(CC#N)ccc1B(O)O	396135715	FVYRMRJIXPFXTO-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
O=C(O)c1csc2ccc(B(O)O)c(O)c12	396382997	NAKGEJFISQROLH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CN(CCCCC(=O)NN)CC[S@@](C)=O	399889802	HMCSZNIRNKOEHC-OAHLLOKOSA-N	235.353	-0.543	50	10	BBGE	
C[C@H](OCCOCC1CC1)C(=O)NN	400784495	WWRKZSWGNSRHHM-ZETCQYMHSA-N	202.254	-0.192	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(CCCF)CC1	402797260	VNOZIIOVXVNYLW-VIFPVBQESA-N	232.303	-0.658	50	10	BBGE	
O=C(C[C@@H]1CCCO1)Nc1ccc(B(O)O)cc1	404979822	HHHKMLUSZWECQN-NSHDSACASA-N	249.075	-0.126	50	10	BBGE	
CO[C@@H]1CCC[C@H]1N(C)CC(=O)NN	687459829	ANZIIQHKAHOWJH-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
CCN1CC[C@H](N(C)CC(=O)NN)C1	689047265	LFSRQCCIHSRKKL-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H](CO)C1	696778739	QFMDIXVZERUYHQ-SECBINFHSA-N	215.297	-0.539	50	10	BBGE	
CCCO[C@@H]1CCN(C(=O)C(=O)NN)C1	701820333	HQNGZDFBWYQJHD-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H](N2CCC2)C1	702300593	MJRBVBVSZKEYCG-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
Cc1nn(CC(=O)N(C)N)c(C)c1[N+](=O)[O-]	704705012	DDYJVUMPPQNSDO-UHFFFAOYSA-N	227.224	-0.260	50	10	BBGE	
Cc1c([C@H]2C(=O)NC(=O)[C@@H]2Cl)nnn1C	706078433	HRNMKNJJVNUMBL-CRCLSJGQSA-N	228.639	-0.529	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	721717367	OZFYMQSPYJEOER-LMLFDSFASA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)c1nc(CN2CCC2)ns1	724349770	RRDNUJCORICQJR-UHFFFAOYSA-N	213.266	-0.653	50	10	BBGE	
C#CCCCCC(=O)NNC(=O)c1cnn[nH]1	773338043	DKVHEEIHTYOKRA-UHFFFAOYSA-N	235.247	-0.241	50	10	BBGE	
C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCl	828348493	WEHCRNJPRIXEKE-YFKPBYRVSA-N	226.685	-0.368	50	10	BBGE	
O=C(NNC(=O)C12CCN(CC1)C2)c1ccc[nH]1	899992784	KJDTXLCVFJMQGR-UHFFFAOYSA-N	248.286	-0.129	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)C[C@H]1COC(=O)C1	1141855445	PCKSKBXKBNTICB-HTQZYQBOSA-N	230.264	-0.717	50	10	BBGE	
Cc1cnn(C)c1NC(=O)NNC(=O)CCO	1347384921	FEBRIXUCHSOXCI-UHFFFAOYSA-N	241.251	-0.736	50	10	BBGE	
Cc1ncc(CC(=O)NNC(=O)c2cn[nH]c2)o1	1588289665	CBKMGOHNHLCDFH-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
O=C(Cc1cnc[nH]1)NNc1ccncn1	1637047248	TWQFWRJDQXZEFL-UHFFFAOYSA-N	218.220	-0.115	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@H]1Br	1877397138	PYUNKZLECBZJAC-RFZPGFLSSA-N	223.070	-0.617	50	10	BBGE	
O=C(NN1CCNCC1)[C@@H]1C[C@@H]1Cl	1883646114	VXERPXYFDVXXIO-RQJHMYQMSA-N	203.673	-0.450	50	10	BBGE	
O=C(NC1CC(Cl)C1)C1(CO)CNC1	1884411784	IORLLOOOHSHOBU-UHFFFAOYSA-N	218.684	-0.546	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)C1CS(=O)(=O)C1	1884829155	MMMNGBBSQFVCMC-ZETCQYMHSA-N	235.692	-0.612	50	10	BBGE	
O=C1CN(C[C@H]2C[C@@H]2CF)CC(=O)O1	1888743133	FFJGQQWTYIBXPX-RNFRBKRXSA-N	201.197	-0.023	50	10	BBGE	
CNC1(C(N)=O)CN(C[C@@H]2C[C@H]2Cl)C1	1893127782	KCZXMBIDCJUAPQ-NKWVEPMBSA-N	217.700	-0.627	50	10	BBGE	
CN(CCS(N)(=O)=O)C(=O)[C@@H]1C[C@@H]1Cl	1893470751	WFZGUIIUNOZGDU-RITPCOANSA-N	240.712	-0.639	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)C(=O)NN)[C@@H]1C1CC1	1897038807	LELMGKLEZVNPBQ-FXBDTBDDSA-N	227.308	-0.136	50	10	BBGE	
Cc1ccnn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1897963929	LXSSDZADTLQEFX-JGVFFNPUSA-N	222.248	-0.822	50	10	BBGE	
CNC1(C(=O)NN(C)S(C)(=O)=O)CCCC1	1901339399	NHHCGWYTKZRETJ-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
Cc1cc(CN[S@@](C)=O)sc1B(O)O	1901752890	YLIDUMADKONUEP-CQSZACIVSA-N	233.123	-0.881	50	10	BBGE	
CC[C@@](C)(CN1CC=C[C@H](O)C1)C(=O)NN	1902718891	ABGYSPMCMQQNHO-ONGXEEELSA-N	227.308	-0.375	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CF	1905009436	NFZWJGKEVUJNCM-BWBBJGPYSA-N	225.647	-0.484	50	10	BBGE	
COc1nc(OC[C@@H]2C[C@@H]2C)ncc1B(O)O	1910813264	CWLCDAORVVWTLO-BQBZGAKWSA-N	238.052	-0.800	50	10	BBGE	
CCCNC(=O)Nc1ncccc1B(O)O	1913653919	VDZKLXHAAKODAB-UHFFFAOYSA-N	223.041	-0.707	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)C1COC1	1923191130	RESVPQPLHCELBQ-QMMMGPOBSA-N	232.261	-0.527	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1csnn1	1923410498	OMXGGOPELOXJRX-UHFFFAOYSA-N	240.166	-0.139	50	10	BBGE	
NC(=O)COC1CN(CCOCCCl)C1	1928128930	LNMNKMHEFRDMPT-UHFFFAOYSA-N	236.699	-0.572	50	10	BBGE	
CCON(CC)C[C@H]1C[C@H]1C(=O)NN	1928666234	WXXXVMBZCGPJNR-HTQZYQBOSA-N	201.270	-0.114	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](O)C2(CC2)C1	1930236114	VTNWNNWECCOECP-HTQZYQBOSA-N	213.281	-0.788	50	10	BBGE	
CNNC(=O)[C@@H](OC)[C@@H]1CCCOC1	1930600308	CNZPDBFPZDHKPJ-SFYZADRCSA-N	202.254	-0.321	50	10	BBGE	
CCNC(=O)CSCC1(C(=O)NN)CC1	1931269444	RLLKDUYHHFATFE-UHFFFAOYSA-N	231.321	-0.374	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@@H](O)CCl)C2=O	1932150173	JKZXJVLTUKJGNV-WATHFIQWSA-N	217.652	-0.019	50	10	BBGE	
Cn1c(=O)n(C)n(CCOCCCl)c1=O	1934715426	SZEZFKBUHGPFSB-UHFFFAOYSA-N	235.671	-0.859	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)CC[C@@H]1O	1935932282	QBGOXOIIWZBQKY-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
CCCC1(O)CN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094232	LLKNWDXSKLCNMC-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CCN(C[C@H](C)OC)C[C@H]1C[C@H]1C(=O)NN	1936094863	QRILQAHGEUWLQW-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1C[C@H](C)C(=O)NN	1936357732	OUUYPXQYSALTNB-YFKPBYRVSA-N	227.224	-0.274	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1[C@@H]2CCOC[C@H]21	1937638842	APVCECCNGXAXKA-UTINFBMNSA-N	227.308	-0.421	50	10	BBGE	
NNC(=O)C1(CSCC(=O)NC2CC2)CC1	1938261281	YMGSTULSPLHXSC-UHFFFAOYSA-N	243.332	-0.232	50	10	BBGE	
CC1(C)CC[C@@H](O)CN1CCCC(=O)NN	1939465381	LTHYCZAGYFWIHF-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
CC(C)(CCN1CC[C@@H](O)[C@@H](F)C1)C(=O)NN	1941010873	ADBBLHYQACFZOC-DTWKUNHWSA-N	247.314	-0.203	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H](O)[C@H](C2CC2)C1	1943084040	VKHLTXCOVXKMGR-JGVFFNPUSA-N	249.261	-0.686	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CC2(CCC2)C1	1946083667	LHDVUARZPAPIGA-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)CC12CCC2	1949821702	YAKKWZBJZHBBJL-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
Cn1cc(CN2CCC(B(O)O)CC2)nn1	1951321682	BZSWMNPAQIJWCW-UHFFFAOYSA-N	224.073	-0.746	50	10	BBGE	
O=C1CN(S(=O)(=O)CCl)[C@@H]2CC[C@@H]2N1	1956631264	ZJRYXMRIAKKCDX-NTSWFWBYSA-N	238.696	-0.525	50	10	BBGE	
N#C[C@H](Cl)CN1CCN(CCN)CC1	1957242225	MCPJDDYEQYHBMK-VIFPVBQESA-N	216.716	-0.306	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)C(=O)NN	1958455707	YIGUMNAETGEDPE-IGORNWKESA-N	209.293	-0.047	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1CCC(=O)NN	1961683260	GSPXCWJFQMZTDE-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)CCn1cnnn1	1974785191	ISOPYHSAVKSWOI-ZETCQYMHSA-N	227.655	-0.580	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	1976841936	QBDJRNJKNSJUDQ-KZVJFYERSA-N	221.260	-0.601	50	10	BBGE	
C=CCS(=O)(=O)N1C[C@H](C)OC[C@H]1N=C=O	1979162979	JKMOSEVZBSCGPM-IUCAKERBSA-N	246.288	-0.115	50	10	BBGE	
CC[C@@H](C)N(CC)c1ncc(B(O)O)cn1	1981410319	YERZAPYLCPRWLF-MRVPVSSYSA-N	223.085	-0.219	50	10	BBGE	
Cc1cnc(S[C@H]2CCOC2)c(B(O)O)c1	1981450366	HJSICLSUMWZAGB-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
CC(=O)NNS(=O)(=O)N1CCC[C@H](C#N)C1	1982309931	NERXQBVAMVBZEN-MRVPVSSYSA-N	246.292	-0.893	50	10	BBGE	
Cn1nnnc1CCN=c1[nH]nc(CCl)o1	1982862845	LBVQOPLEBZLZQP-UHFFFAOYSA-N	243.658	-0.592	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC=CC[C@H]1CO	1983181141	LHSMFWXSUYJYQH-KXUCPTDWSA-N	225.292	-0.765	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@H]1CC1(F)F	1988004708	HSOKTULZMDFWCH-LURJTMIESA-N	232.954	-0.313	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC#N)C1CC1	1990774265	GTNQFJRLACVBEK-UHFFFAOYSA-N	224.264	-0.468	50	10	BBGE	
CN1C(=O)C[C@H](NC(=O)C=CC(=O)Cl)C1=O	1991654013	GGYQWQRJQIFZBV-YFKPBYRVSA-N	244.634	-0.819	50	10	BBGE	
N[C@]1(CO)CCCN(C(=O)/C=C/C(=O)Cl)C1	1991701623	JRTXUJKKSOWVOO-VMZHVLLKSA-N	246.694	-0.380	50	10	BBGE	
NCC[C@@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991709642	MTYKNHPPGPAFMA-FHKCNRDCSA-N	246.694	-0.116	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@H]2CC[C@@H]2C1	1992125409	RHACLCNLRYEFPF-RKDXNWHRSA-N	222.053	-0.947	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@@]2(CO)C1	1993219873	UPCRDIJGRMTTJW-NGZCFLSTSA-N	227.308	-0.541	50	10	BBGE	
CN(Cc1ccno1)CC1(C(=O)NN)CC1	1993845870	CFUBEORDZBTKDF-UHFFFAOYSA-N	224.264	-0.124	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1[C@@H]2CO	1994019645	ICPYPYDGQXFPMK-OEZYJKACSA-N	227.308	-0.687	50	10	BBGE	
NNC(=O)CCN1CCN2CCCC[C@H]2C1=O	2004305461	ACZTYRTXCGETQB-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
CN(c1ncncc1B(O)O)C1[C@@H]2CCC[C@@H]12	2004911348	FVGHCIQYJYEBDT-HTQZYQBOSA-N	233.080	-0.609	50	10	BBGE	
C[C@@]1(F)CCN(c2ncc(B(O)O)cc2F)C1	2005018816	YUUZKNCZVSDKCC-SNVBAGLBSA-N	242.034	-0.161	50	10	BBGE	
OB(O)c1cnccc1OC1CC2(COC2)C1	2011107287	SESPXBWSAKAIJQ-UHFFFAOYSA-N	235.048	-0.681	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012901168	YXBCBFUKJFJGNS-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(CCC#N)CCC#N	2019207492	BPZCVQDQBBGSND-UHFFFAOYSA-N	237.263	-0.717	50	10	BBGE	
CN1CC(COc2ccc(F)cc2B(O)O)C1	2022090047	CBCDOYQMKZSTLM-UHFFFAOYSA-N	239.055	-0.554	50	10	BBGE	
CN(CC1CC1)CC12CC(C(=O)NN)(CO1)C2	2023852317	FSCSQMWRWLNPPZ-UHFFFAOYSA-N	239.319	-0.133	50	10	BBGE	
Cc1ccc(CN(C)c2ncncc2B(O)O)o1	2052465647	BUUKRRWOUBEORV-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCCCC[C@H]32)nc1	2052473830	XSIGSUQBFAAGNK-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)n1	2053734158	CXZWIWPWLZXAHM-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
NCc1ccc(C(F)(F)F)cc1B(O)O	2059116290	ACFSQGZBZAZFKD-UHFFFAOYSA-N	218.971	-0.156	50	10	BBGE	
COC(=O)c1cc(B(O)O)c2[nH]cnc2c1	2069577741	ACUFFKOLHJOZSS-UHFFFAOYSA-N	219.993	-0.971	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1cscc1B(O)O	2211140898	QIBUBWVUSZXAHX-XVKPBYJWSA-N	242.105	-0.021	50	10	BBGE	
C[C@@]1(COC(F)(F)C(=O)NN)COCCO1	2211982331	HTQBVDNDZCKPSB-ZETCQYMHSA-N	240.206	-0.609	50	10	BBGE	
C[C@@H](CN=c1ccc(B(O)O)c[nH]1)C(F)F	2212604699	RHOKFNQDXVAHAG-LURJTMIESA-N	230.023	-0.504	50	10	BBGE	
C#C[C@H](CC)Nc1nccc(B(O)O)c1F	2212605618	HNXGGQRPAIDVRD-SSDOTTSWSA-N	222.028	-0.276	50	10	BBGE	
CC[C@H]1C[C@H]1CN=c1ccc(B(O)O)c[nH]1	2212610351	HKPRSZVIHKUDGB-IUCAKERBSA-N	220.081	-0.359	50	10	BBGE	
CCC=C(C)C(=O)Nc1ncc(B(O)O)cn1	2214652717	IXGSPWISCKJYGL-UHFFFAOYSA-N	235.052	-0.549	50	10	BBGE	
CCCC1(O)CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215777493	SUCZCHHLAAQFPQ-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1noc(CNc2cc(B(O)O)ccn2)n1	2217173433	QTOBZFLUPZKMAL-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1c1ncccc1B(O)O	2217178133	RWYFRURROOALGS-IUCAKERBSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cccnc1NCCc1cncs1	2217179795	OLBRNDKDYKQZFL-UHFFFAOYSA-N	249.104	-0.128	50	10	BBGE	
C#CC[C@H](C)CN(C)c1ccc(B(O)O)cn1	2217182288	BOURNUSDEZWWIR-JTQLQIEISA-N	232.092	-0.143	50	10	BBGE	
C[C@@H](CCN)CCOc1ncccc1B(O)O	2217183929	LOGVWPKBDXRMEX-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
Cc1cnc(OC2CC(CN)C2)cc1B(O)O	2217184154	NLQNCDDJVBPMFO-UHFFFAOYSA-N	236.080	-0.814	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@H]1CCNC1	2217184324	OMLSCYGBIXIIRN-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
NCC[C@H]1C[C@@H](Oc2cc(B(O)O)ccn2)C1	2217185784	BHTXBVVUNOGDOL-WAAGHKOSSA-N	236.080	-0.732	50	10	BBGE	
CC[C@@H](N)C(C)(C)Oc1ncccc1B(O)O	2217185922	DCCFCCYRXUNAIN-SECBINFHSA-N	238.096	-0.344	50	10	BBGE	
CC1(C)C[C@@H](Nc2ncccc2B(O)O)[C@H]1O	2217198000	UVHHLUYTYHFXOW-RKDXNWHRSA-N	236.080	-0.667	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1cc(B(O)O)ccn1	2217200921	VXPZQXWBXVTPOV-GZMMTYOYSA-N	238.071	-0.054	50	10	BBGE	
CCn1ccc(=Nc2cc(B(O)O)c(C)cn2)[nH]1	2223650186	JESUXKIJEXLKRI-UHFFFAOYSA-N	246.079	-0.548	50	10	BBGE	
Cc1cnc(NC[C@H]2CC=CCO2)cc1B(O)O	2223652093	GLUWDEUORHXTPH-SNVBAGLBSA-N	248.091	-0.173	50	10	BBGE	
CC1(N)CCC(Nc2cc(B(O)O)ccn2)CC1	2223669380	JCJVEFMMYBMFFN-UHFFFAOYSA-N	249.123	-0.167	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1	2242756974	HHSMHYQHTSQIJP-XGEHTFHBSA-N	249.694	-0.399	50	10	BBGE	
CC1CC(NC(=O)c2coc(B(O)O)c2)C1	2243346605	BIDZWFKUSVLMJN-UHFFFAOYSA-N	223.037	-0.512	50	10	BBGE	
CC1(NC(=O)c2ccncc2B(O)O)CC1	2243348856	AYEXZSKCGPOSTD-UHFFFAOYSA-N	220.037	-0.956	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=CCC1	2243349756	QAFPBFWUBOWGIR-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2243357167	SKQGLASTHIDDAE-UHFFFAOYSA-N	222.053	-0.657	50	10	BBGE	
CC(C)[C@H](NC(=O)C#CB(O)O)C(F)(F)F	2243361412	AXCUBWZBGHXCBZ-ZETCQYMHSA-N	236.986	-0.295	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]1C1CCC1	2243362502	RXLFCZVSKZLBOU-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@@H](C)CF	2243383436	XXNOXPYPBLXUQL-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
C#CCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1B(O)O	2243392829	XKVRKKYSRFQCHZ-RQJHMYQMSA-N	231.007	-0.424	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC=C(CO)CC1	2243396137	IEQXHNYVTLGPCF-DTWKUNHWSA-N	225.053	-1.000	50	10	BBGE	
CC#CCN(C)C(=O)c1coc(B(O)O)c1	2243408476	NSIPKCXXYXMAEP-UHFFFAOYSA-N	221.021	-0.945	50	10	BBGE	
C=CCN(CC=C)S(=O)(=O)CC(=C)B(O)O	2243419626	CRTSWSGBPJELNW-UHFFFAOYSA-N	245.109	-0.442	50	10	BBGE	
C=CCC(=O)N(C)Cc1ccc(B(O)O)s1	2243684933	JPWNEWTUORMMLA-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC(CF)C1	2244212213	MTEVNHNMEKAEIJ-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2247739736	ANDQBKKHDFWKEB-QUARPLMYSA-N	233.076	-0.590	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(B(O)O)o1	2247741074	UIDSKVNVMHDJSA-JGVFFNPUSA-N	237.064	-0.313	50	10	BBGE	
C#C[C@H](NC(=O)c1sccc1B(O)O)C1CC1	2247774912	DYJBAJSLICHRBE-VIFPVBQESA-N	249.100	-0.431	50	10	BBGE	
CCCC(C)(C)NC(=O)c1n[nH]cc1B(O)O	2247783976	NRUPHQFMRDIPEP-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
CCC[C@]1(NC(=O)[C@H]2C[C@@H]2B(O)O)CCNC1	2247789869	CCMHXDHWNLFQSU-QXEWZRGKSA-N	240.112	-0.502	50	10	BBGE	
C[C@@H]1[C@@H](N)CCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247790519	HWEDUJZQXVQLAP-IMSYWVGJSA-N	240.112	-0.422	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(C)c(B(O)O)o1	2247792370	UQRHQXUVKIBKSC-MRVPVSSYSA-N	237.064	-0.086	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2[C@@H](C1)C2(F)F	2247792992	VZEAKQXKILQCFJ-CWKFCGSDSA-N	245.034	-0.037	50	10	BBGE	
CC1(C)C[C@H](CN)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2247796836	DFMDPBGAXACIBS-VGMNWLOBSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H]1CNCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247799820	IPCVZCDOUDHZFK-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CC[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCO1	2247801097	WYKCKLVJECKJPJ-UDNWOFFPSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C(=O)[C@@H]2CCCC[C@H]21	2247806843	GNJQZCNPOKTKAK-LURQLKTLSA-N	237.064	-0.223	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CO	2247808332	KTLQIVFNIINUQW-RGOKHQFPSA-N	241.096	-0.674	50	10	BBGE	
O=C(NCCC[C@@H]1CCOC1)[C@H]1C[C@@H]1B(O)O	2247808711	LYVGTNLQDYUVFC-UTLUCORTSA-N	241.096	-0.218	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)CN(C)C	2247809703	QOQKCPVOCBDJKG-GUBZILKMSA-N	242.128	-0.447	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1F)C1CC(B(O)O)C1	2247810293	WBTSXMPBRZTIBU-GEPGNKONSA-N	244.075	-0.944	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C2CCC1CC2	2247850125	KEPJQVFQCCAHIF-UHFFFAOYSA-N	235.048	-0.274	50	10	BBGE	
O=C(N[C@@H]1C[C@]12CCCOC2)C1(B(O)O)CC1	2247872103	MZSRXMCYTUNPBU-SCZZXKLOSA-N	239.080	-0.321	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CC1)[C@@H]1CCCNC1	2247877775	KAGWQEDTDQIFEC-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1NC(=O)C1(B(O)O)CC1	2247879046	PKNQOYPXJKRCQN-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCC1=CCOCC1)C1CC(B(O)O)C1	2247890850	CJHNKGPNRLSNDN-UHFFFAOYSA-N	239.080	-0.298	50	10	BBGE	
C[C@H]1CCNC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247893913	AGFLVXZLBVVYSD-AATLWQCWSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1[C@@H](C)OCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247897611	VIGLYILPQTVQRK-QCLAVDOMSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@H](CCO)C1	2247898608	GCDHDEQFQCNTSW-OPRDCNLKSA-N	241.096	-0.530	50	10	BBGE	
CC[C@]1(C)C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CO1	2247900183	USINMKNRPQDLSZ-WYOJIJJFSA-N	241.096	-0.077	50	10	BBGE	
CC(C)ONC(=O)Nc1cccc(B(O)O)c1	2247970542	JYTRUZKLAMRVHC-UHFFFAOYSA-N	238.052	-0.172	50	10	BBGE	
CC=CC=CC(=O)Nc1cc(B(O)O)ccn1	2248420423	UDDMGUKMNDEGDX-UHFFFAOYSA-N	232.048	-0.168	50	10	BBGE	
CCC[C@@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248573816	JVQKFKKHGBZJEC-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(O)CCCCNC(=O)C1(B(O)O)CCC1	2248579236	YUFOYSBRWUODNA-UHFFFAOYSA-N	243.068	-0.245	50	10	BBGE	
CN(Cc1nc(C(=O)NN)co1)CC1COC1	2249019553	AWQKQEVQDUFFCJ-UHFFFAOYSA-N	240.263	-0.644	50	10	BBGE	
C[C@H](C(F)F)N(C)C(=O)c1cocc1B(O)O	2249415448	DYPFQAFDFMIFMX-RXMQYKEDSA-N	247.006	-0.315	50	10	BBGE	
CC[C@]1(C)C[C@@H]1NC(=O)c1cc(B(O)O)co1	2249417967	NDUIJNCDKONVKJ-GXSJLCMTSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1cc(B(O)O)co1	2249427874	ATSISIJWDHKLTJ-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2cocc2B(O)O)C1(F)F	2249429824	YAIZWYRDEPLNQI-FBCQKBJTSA-N	244.990	-0.657	50	10	BBGE	
Cc1cc(NC(=O)c2coc(B(O)O)c2)ncn1	2255458773	WJBPQQQGSLNZGH-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)cn2)C1	2255520796	OQNQCNJIQACODA-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)cn1	2255521431	WQMBAPYQUIQWOJ-MWLCHTKSSA-N	246.075	-0.710	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@@H]1CC1CC1	2255551671	ARGKUMMDNLTTAZ-MRVPVSSYSA-N	249.079	-0.896	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@H](C)C2)c(B(O)O)c1	2255555405	AKTSCQPZWJXRNK-QMMMGPOBSA-N	248.091	-0.448	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2255719320	JLEUFRMFODGPET-MRVPVSSYSA-N	249.050	-0.353	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N1CC=CCN1	2255730054	FROZKZHQAYSUHC-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
CC(C)=CCCNC(=O)c1nccnc1B(O)O	2256065415	YBDBPTFDIDDSLF-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298165193	INJZRQQDZCGROP-LMLFDSFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368451	FHZRNSVBCCPSLF-MAUMQABQSA-N	240.112	-0.791	50	10	BBGE	
COC[C@]12C[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298369754	DNXMYLYJRUTUDE-FTYOSLGDSA-N	239.080	-0.656	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@H]2C[C@]1(CO)C2	2299945063	FODTYBKLMFDGMO-SVDPJWKOSA-N	239.319	-0.541	50	10	BBGE	
C[C@]12C[C@H](C1)[C@H](NC(=O)C1(B(O)O)CC1)CO2	2300499640	RHNGYRGBDVTMLE-MRTMQBJTSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1N(C)c1ncc(B(O)O)cn1	2301281820	UUECDBNJOUSVNC-MBTKJCJQSA-N	235.096	-0.363	50	10	BBGE	
CCOCCCNC[C@H](C)C(=O)NN	58862390	KAGKZTJVVLUYEX-QMMMGPOBSA-N	203.286	-0.371	50	10	BBGE	
C[C@@H](CCC(=O)NN)Sc1nncn1N	82472932	IBPACPZQKRWUMO-YFKPBYRVSA-N	230.297	-0.757	50	10	BBGE	
CN(N=O)C(=O)NN(C)C(=O)N(C)N=O	105104969	GUGIXTAIEPOASJ-UHFFFAOYSA-N	218.173	-0.111	50	10	BBGE	
Cc1ccc(=O)n(Cc2cc(C(=O)NN)co2)n1	110603586	IJTWNULFYBKQGZ-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
N[C@H](CCCCN/C=C\C=O)C(=O)O	111436730	GMWIWURZXAXNSK-WAXIIBMWSA-N	200.238	-0.129	50	10	BBGE	
CCNC(=O)CCNC(=O)NC(=O)CCl	163530353	FECLQXVZAWYVQV-UHFFFAOYSA-N	235.671	-0.423	50	10	BBGE	
O=C(O)C[C@@H](CNC(=O)CCl)C(=O)O	170313807	MMJDMIWSTIUZGY-BYPYZUCNSA-N	223.612	-0.483	50	10	BBGE	
COc1ccc(Cn2cncn2)cc1B(O)O	199004542	YXEGIFISHWKMOC-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
COC[C@@H](C)OCc1cccc(B(O)O)c1	203551009	HWTPSOPODBIUSI-SECBINFHSA-N	224.065	-0.082	50	10	BBGE	
C/C(=N/NC(N)=O)[C@](C)(N)CCC(=O)O	218862961	VLRQNKLHVAJIKG-SOUAVXJDSA-N	216.241	-0.387	50	10	BBGE	
CCNS(=O)(=O)CCNC(=O)CCCl	230991303	SPMFAZCJXGHDID-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@](C)(C(N)=O)C1	232699566	UGSMMJZQVUMJLD-LDYMZIIASA-N	242.323	-0.802	50	10	BBGE	
COC[C@H](S[C@H](C)[C@@H](C)O)C(=O)NN	234715000	PNVKNLHJYSQZRW-QYNIQEEDSA-N	222.310	-0.506	50	10	BBGE	
N[C@@H]1CC[C@H](O)[C@@H](Br)[C@@H]1O	238626861	BQDSBMUFYKJSPG-JGWLITMVSA-N	210.071	-0.407	50	10	BBGE	
N[C@@H](c1ccc(B(O)O)cc1F)C1CC1	238661588	BBURCVXSRDVZPD-SNVBAGLBSA-N	209.029	-0.085	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](C)N(C)[C@H](C)C1	253258274	GYZXPHWYTRNZPX-IWSPIJDZSA-N	214.313	-0.611	50	10	BBGE	
C[C@@H]1CCN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1O	299907670	IOTPEGWVSPBHTP-ZYUZMQFOSA-N	229.324	-0.296	50	10	BBGE	
C[C@H](C/C(=N\NC(N)=O)C(=O)O)C(=O)O	308682974	OMZRHGPFDUNMDV-SYERLOSLSA-N	217.181	-0.794	50	10	BBGE	
Nc1ccc(B(O)O)c(OC(F)(F)F)c1F	321777934	YRLNQNPXPJUQCU-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H](C)C(C)(C)O	382961167	ONSOOXGWOIPNGS-JGVFFNPUSA-N	233.312	-0.918	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)C[C@@H]1O	388709920	YKMIUCRFXOCPFV-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
N#CCCc1c(B(O)O)cccc1[N+](=O)[O-]	396057220	UKHRGNQLIHMSCY-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
CCOC1(C)CN([C@H](C)CC(=O)NN)C1	399900795	FJYBMXWPMHELNG-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CC(C)OC(=O)Nc1ccnc(B(O)O)c1	405061614	DKSIUWUSHSOWBS-UHFFFAOYSA-N	224.025	-0.282	50	10	BBGE	
CN(C)C[C@H]1CCCCN1CCC(=O)NN	405198133	PUNASILFTCWLGN-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CCN1C(=O)N[C@@H]2NCN[C@@H](Cl)[C@H]21	575624994	DQOCXPFBSXGPOG-PBXRRBTRSA-N	204.661	-0.559	50	10	BBGE	
COC(=O)[C@@H](Cl)CNCc1nc(C)nn1C	689566332	XQGOJVIONFTEEK-ZETCQYMHSA-N	246.698	-0.006	50	10	BBGE	
OB(O)c1ccc(OCc2cnccn2)cc1F	693559284	REUZWVGBUKIDHD-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)CC[C@@H]1N(C)C	693629989	LGOYJAAMEKOYSG-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
COCC(COC)N(C)[C@H](C)[C@H](C)C(=O)NN	702035568	OZQVJRDZRNGZBS-DTWKUNHWSA-N	247.339	-0.406	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1cccc(B(O)O)c1	703518846	QRLGZXMGNBEASE-CABZTGNLSA-N	236.076	-0.082	50	10	BBGE	
C[C@@H]1COC[C@H]1C(=O)Nc1ccccc1B(O)O	705220024	XRYRXATZLDPMFU-RKDXNWHRSA-N	249.075	-0.413	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](O)C[C@H]1C	706104133	WAFGUAJYSMNBCQ-GJMOJQLCSA-N	201.270	-0.790	50	10	BBGE	
C[C@H](CN1CCOCC12CCC2)C(=O)NN	707235601	GDZJFRTVJLIIFI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@@H](C)C(N)=O	711159804	BIXCYSNVFRWKPG-YUMQZZPRSA-N	230.312	-0.803	50	10	BBGE	
O=C1CN([C@H]2C[C@H]3CCCN(C2)C3)CC(=O)O1	717397453	VNOSNENVYAZGBA-ZJUUUORDSA-N	238.287	-0.144	50	10	BBGE	
COC[C@H](SCCCCN)C(=O)NN	723638238	MVZNRLOWJIBZAJ-ZETCQYMHSA-N	221.326	-0.537	50	10	BBGE	
C[n+]1nn[nH]c1[S@@+]([O])(=O)C(C)(C)CCl	725543810	GXHDEDKOOKLFHC-UHFFFAOYSA-O	239.708	-0.150	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNC(=O)C(C)(C)O	768245599	CSHDTNWCUIWXEV-YUMQZZPRSA-N	244.291	-0.423	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2cccnc2)nn1	808377494	NPHCVIJZSUDJTC-UHFFFAOYSA-N	246.230	-0.715	50	10	BBGE	
CC[C@](C)(CO)C(=O)NNC(=O)C1CC1	847285103	XOCSPDXSDDAKGL-SNVBAGLBSA-N	214.265	-0.048	50	10	BBGE	
C[C@H](C(=O)N1CC[C@H](B(O)O)C1)[C@H]1CCCO1	902551038	HCDGZSJFVOGCML-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
COc1cccc(CC(=O)NNC(C)=O)n1	1290392121	RJECPMPTCWEOIH-UHFFFAOYSA-N	223.232	-0.200	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1cccc(C#N)c1	1293055339	GAOGRIYMTAYIGR-SNVBAGLBSA-N	245.238	-0.134	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)c2cn[nH]c2)n1	1530258955	AZQVABVDJPYKDH-UHFFFAOYSA-N	249.234	-0.904	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(CN(C)C)on1	1543663520	GSWBABQIACSJGJ-UHFFFAOYSA-N	241.251	-0.690	50	10	BBGE	
N#CCC(=O)NNC(=O)[C@@H]1CCCCO1	1556782440	HXBOSHGLXQWWPW-ZETCQYMHSA-N	211.221	-0.383	50	10	BBGE	
Cn1nncc1NNC(=O)c1c(O)cccc1O	1611379924	LQKRDKGKECWZQK-UHFFFAOYSA-N	249.230	-0.017	50	10	BBGE	
Cc1cc(CCC(=O)NNC(=O)N(C)C)n[nH]1	1631399214	VSLYARVQYGSEJI-UHFFFAOYSA-N	239.279	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]1CF	1886122586	NUCPTHIAKSLGPZ-GJMOJQLCSA-N	201.245	-0.344	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1CO	1886212183	XPMUZXWJMZILFD-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@@H]2COC[C@@H]21	1887850455	NVUVCRPKNSEDMT-YIZRAAEISA-N	215.684	-0.210	50	10	BBGE	
O=C(O)[C@@H]1CNCCN1C[C@@H]1C[C@H]1Cl	1893097289	AYJCIPKNURYFEI-RNJXMRFFSA-N	218.684	-0.028	50	10	BBGE	
N[C@@H](CCNC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1893452706	HIRWQILNLCIUQG-SRQIZXRXSA-N	220.656	-0.468	50	10	BBGE	
O=C(N[C@@H]1CNCCOC1)[C@@H]1C[C@@H]1Cl	1893454146	UHUXTEKEOGUVGI-PRJMDXOYSA-N	218.684	-0.282	50	10	BBGE	
O=C([C@H]1C[C@@H]1Cl)N1CCC1(CO)CO	1893470959	YGXNVBNGPIWIIM-BQBZGAKWSA-N	219.668	-0.431	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NCC#CB(O)O)O1	1897727879	BGJQRQVGKOVBFQ-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
OB(O)c1cccc(COC[C@H]2CCO2)c1	1901307349	OUCBRVWDLRBUPM-LLVKDONJSA-N	222.049	-0.328	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)C=C[C@@H](C)N	1901339157	JEOBISJGIBAERF-MRVPVSSYSA-N	249.336	-0.409	50	10	BBGE	
CC(C)CS(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902513774	TVUHMJMKMOBWNQ-VIFPVBQESA-N	249.141	-0.089	50	10	BBGE	
NNC(=O)CCOC[C@@H]1CCc2nccn21	1904708634	AQPQVJJTRPVVEK-QMMMGPOBSA-N	224.264	-0.233	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@@H]1CO	1909057787	WHZNBJQCRMUVTP-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C1(CCO)CCC1	1911521227	YATUJYVVTPWVQX-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CCn1ccnc1CN(C)[C@H](C)C(=O)NN	1913378898	ZAXHWVJDRLMLNF-MRVPVSSYSA-N	225.296	-0.287	50	10	BBGE	
CC[C@@H]1CCOCCN1[C@H](C)C(=O)NN	1913639714	ORMKPPRLGQTYHT-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCS(=O)(CC)=NCCOCC(=O)NN	1913894682	DFPQQIBGAWVCAE-UHFFFAOYSA-N	237.325	-0.499	50	10	BBGE	
CCN(C1COC1)[C@@H](C)[C@H](C)C(=O)NN	1915658070	NEGPNXGTMIJFAT-YUMQZZPRSA-N	215.297	-0.278	50	10	BBGE	
O=C(CN1CCC1)NNC(=O)C(F)(F)F	1923406897	QWFYBUOZSCEPQK-UHFFFAOYSA-N	225.170	-0.598	50	10	BBGE	
C[C@@H](SCCNCCN)[C@H](C)C(=O)NN	1923474325	DKCBPGKCHHHXAY-JGVFFNPUSA-N	234.369	-0.718	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)[C@H](F)C1	1929912499	ICFKIQQBHOADTN-WCTZXXKLSA-N	219.260	-0.985	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1O	1936094218	LJWSEWFZUDGWHG-XHNCKOQMSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@@]1(CO)C2	1936765949	MJANIKWQNKTPPV-QXEWZRGKSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@]2(CO)C1	1937053913	OFTFWMNPNPLJAF-CKEKPRIKSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)S1(=O)=O	1937870390	QEIPMYLWPARFGP-GJMOJQLCSA-N	247.320	-0.964	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@@H]1COCCO1	1939100107	DCUBEGBPGDOIGX-LURJTMIESA-N	240.206	-0.956	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941074621	SXEMZBAGZQWMOM-DVVUODLYSA-N	241.335	-0.295	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCOC[C@@H]1C1CC1	1941121459	IJJRUYYAZZFMFF-NXEZZACHSA-N	243.307	-0.898	50	10	BBGE	
COC[C@]1(O)CCCN([C@H](C)C(=O)NN)CC1	1946479308	OZXJFQAHQYCLOS-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1947069911	LEYNOAZWGJMOPS-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CN(C)C[C@H]1COCCCO1)C(=O)NN	1948400984	QQNHFQPALJTJBT-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CCCCCOC[C@H]1COCCO1	1948420970	QPMIUDLYOOZTFP-JTQLQIEISA-N	246.307	-0.031	50	10	BBGE	
COCn1cnc2c1NC=NC2=C(C#N)C(N)=O	1951316369	GSGKJZXUYPWDEY-UHFFFAOYSA-N	246.230	-0.339	50	10	BBGE	
C[C@@H]1C[C@H](CO)CCN1[C@H](C)C(=O)NN	1961683414	IBCANJMIOSWFLB-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
CCON(CC)c1ncccc1B(O)O	1961697125	UYGWTESRHKZTGG-UHFFFAOYSA-N	210.042	-0.461	50	10	BBGE	
NNC(=O)N[C@H]1COC2(CCOCC2)C1	1975214993	KWKUTQZFVYTICO-SSDOTTSWSA-N	215.253	-0.503	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CCOCCCl)C[C@@H]12	1978816555	MFPBRWOXZNPIAV-OCAPTIKFSA-N	246.694	-0.554	50	10	BBGE	
COC[C@@H](Cl)CNC(=O)c1c[nH]c(=O)cn1	1979657849	KRFLRTDXVFZXRI-LURJTMIESA-N	245.666	-0.247	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCC[C@H](O)C1	1980518448	GVMVPDBIFBPCGD-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CN1CCN([C@@H]2CCSC2)CC1	1981082382	JMYPAUJKFQQHDM-SECBINFHSA-N	244.364	-0.901	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCOC1)C(=O)NN	1981417517	BBKWNRNPMKMYND-DTWKUNHWSA-N	232.280	-0.566	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CC[C@@H]21	1981424020	MSWHOHBATCVIOU-SCZZXKLOSA-N	218.065	-0.250	50	10	BBGE	
C=CCCn1cnc2c(B(O)O)ncnc21	1982862446	GPGIDILHFUYWNC-UHFFFAOYSA-N	218.025	-0.918	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CCn2nnnc2C1	1982863739	XFGLZFLZHCSTEW-NKWVEPMBSA-N	243.698	-0.021	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@@H]2C[C@H]21	1992152792	ISKOZEMADJYXFM-OPRDCNLKSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1	1992392483	LCNQRXZTSJJVPW-BQHMLIOBSA-N	225.292	-0.241	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@H]1CC1(F)F	1996648237	XDWRDAIBMMQJJL-ZCFIWIBFSA-N	241.990	-0.645	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCN(C2CC2)C1	1997511376	AQWVRMVMBXSNGZ-KOLCDFICSA-N	240.351	-0.077	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H]1c1ncon1	1997763867	BUMWZKGQZQKOJJ-YUMQZZPRSA-N	239.279	-0.025	50	10	BBGE	
CCOCCOCc1c(C(=O)NN)cnn1C	2003506569	WRGLAMZITQCHEY-UHFFFAOYSA-N	242.279	-0.423	50	10	BBGE	
NNC(=O)CCCN1CCN2CCC[C@H]2C1=O	2004273217	IFBCLNAKQYBVPQ-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
CN1CCC[C@H]1[C@@H]1CCCN1CCC(=O)NN	2004364779	MGNSOQDNDFAEEO-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
CC1(C#N)CN(Cc2cc(C(=O)NN)no2)C1	2004461491	ZEUWIFSLCDONMC-UHFFFAOYSA-N	235.247	-0.376	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)[C@H](C)CO1	2004919510	ZUYJOSRRGGEPFS-BDAKNGLRSA-N	236.080	-0.625	50	10	BBGE	
OB(O)c1cccnc1OCCOC1CCC1	2004950262	CXOSXSTVHWNTQD-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CO[C@H]1C[C@H](CN(C)CC(=O)NN)C[C@H]1OC	2006341052	QYKBSPOHGKOQHE-OWUUHHOZSA-N	245.323	-0.652	50	10	BBGE	
C[C@H]1OCC[C@H]1CN(C)CCOCC(=O)NN	2008385491	FBICQQKZXXUSPU-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
C[C@@]12CCCN(C(=O)C(=O)NN)[C@@H]1CCOC2	2009419624	KCOJPAPTCOKBDR-KCJUWKMLSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(=O)N2CCCC[C@@H]2C1	2013241543	QVCPRAFJQUJIAX-DTWKUNHWSA-N	240.307	-0.939	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@H]1C[C@H]1CF	2016765916	ZHETYJFMPDEFAX-BQBZGAKWSA-N	238.027	-0.695	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(c2ccn(C)n2)C1	2019134046	OJGNKCTYKVCMJJ-JTQLQIEISA-N	237.307	-0.412	50	10	BBGE	
COC1CC2(C1)CN(CC(=O)NNC(C)=O)C2	2019207965	DVLKWFRDVPBAIM-UHFFFAOYSA-N	241.291	-0.736	50	10	BBGE	
CC1(OCC(=O)NCC#CB(O)O)CCCC1	2021157681	PMFOECMMYZNXPO-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2O[C@H]3C=C[C@H]2C3)O1	2021852173	QZZZVENMIJIFNL-XKNYDFJKSA-N	239.275	-0.532	50	10	BBGE	
CC(C)N(O)C(=O)c1cc(B(O)O)ccc1F	2022201166	ZHJRUDARZWFOPG-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
Cc1nccc(COc2cncc(B(O)O)c2)n1	2029097254	DHRIOPDZZBNRLF-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CN(Cc1ccn(C)n1)c1ccc(B(O)O)cn1	2052469342	PFSHURGZMSXMHA-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cccnc1N1CCN2CCC[C@@H]2C1	2052490625	DZJQUAGVUPXMSO-SNVBAGLBSA-N	247.107	-0.954	50	10	BBGE	
O=C(CN1C[C@@H]2C[C@H]1CN2)NNc1ccccn1	2067326221	XAFHNEKJUIFRLG-UWVGGRQHSA-N	247.302	-0.429	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)c1ncc[nH]1	2077800731	DWAZXCMIFRXVHR-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
C#CCC1CN(C(=O)c2cccc(B(O)O)c2)C1	2082421108	ZDZZTKTWEMJGAR-UHFFFAOYSA-N	243.071	-0.538	50	10	BBGE	
OB(O)c1csc(CN2CCO[C@H]3C[C@@H]32)c1	2211082118	ZULNSGHNHHSMDZ-UWVGGRQHSA-N	239.105	-0.599	50	10	BBGE	
CC(C)N(CCO)C[C@H]1CC[C@H]1C(=O)NN	2211827928	QGSZGWDYKTXYGH-NXEZZACHSA-N	229.324	-0.295	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2212610801	PEQUBWCXHPQWPU-IUCAKERBSA-N	221.069	-0.387	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](F)[C@H](O)C2)CCCC1	2216881596	MDWNRDHCOHUHOQ-DTWKUNHWSA-N	245.298	-0.449	50	10	BBGE	
CC(C)C[C@H](N)CNc1ccc(B(O)O)cn1	2217182399	AFCZLSNHRDNJAO-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
CO[C@@H](C)CN(C)c1cc(B(O)O)c(C)cn1	2217183795	OEDVNSOIXPSFFM-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
CC[C@]1(Nc2cc(B(O)O)ccn2)CCOC1	2217203647	YJRYDKOAQBEZAQ-NSHDSACASA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(N2CCCC[C@@H](O)C2)c1	2217203750	ZWVNPWMZEDTKPL-SNVBAGLBSA-N	236.080	-0.887	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)[C@H](C)CN1C	2222178957	GYLGTHDLDCFNCI-NXEZZACHSA-N	249.123	-0.710	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1N(C)c1ncccc1B(O)O	2223635884	COIFAAVGYJAKQD-KOLCDFICSA-N	249.123	-0.804	50	10	BBGE	
N[C@H]1CC2(CCC2)[C@H]1Oc1cc(B(O)O)ccn1	2223662308	STLJILNXXRZFEE-ONGXEEELSA-N	248.091	-0.590	50	10	BBGE	
O=C1NCCN1S(=O)(=O)N1CC(Cl)C1	2241354215	UMBSSCKYNHXVEK-UHFFFAOYSA-N	239.684	-0.821	50	10	BBGE	
CC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)OCCO1	2241475112	QQFKDNYUVIHRJY-ZKCHVHJHSA-N	243.068	-0.881	50	10	BBGE	
Cc1cc(CN(C)C#N)sc1B(O)O	2241557611	ANGHVRBYEYMOQG-UHFFFAOYSA-N	210.067	-0.351	50	10	BBGE	
CN(CCC#N)C(=O)c1ccc(B(O)O)s1	2243348995	CZEYSJJFVRKGNB-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
C[C@H]1CC[C@@H]1NC(=O)c1ncsc1B(O)O	2243358434	HBDUGSJNHWKRRF-WDSKDSINSA-N	240.093	-0.649	50	10	BBGE	
CCC[C@H](CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243414840	IYZZOBGFHCEPFD-VGMNWLOBSA-N	229.085	-0.483	50	10	BBGE	
CC[C@]1(O)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243420710	XUDDQEAUAAYEIC-NRPADANISA-N	227.069	-0.777	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1cc(B(O)O)co1	2244218976	CZUGQBQDHHHBNU-LHLIQPBNSA-N	223.037	-0.512	50	10	BBGE	
CC1(C)C[C@H](CNC(=O)C2(B(O)O)CC2)CN1	2247754912	NQVSJVTZTIRQBA-MRVPVSSYSA-N	240.112	-0.502	50	10	BBGE	
CN(CC1CCOCC1)C(=O)C1(B(O)O)CC1	2247755060	GJPWCMRXOUVKDL-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
O=C(N1CC[C@]2(CCOC2)C1)C1(B(O)O)CC1	2247756451	NCVGZXHKUXKDHX-JTQLQIEISA-N	239.080	-0.368	50	10	BBGE	
CCC1(NC(=O)c2ncccc2B(O)O)CC1	2247771662	XGXHCBMCGWRGMM-UHFFFAOYSA-N	234.064	-0.566	50	10	BBGE	
O=C(Nn1cccc1)c1ccccc1B(O)O	2247775908	RDFLGZAZNOWOEW-UHFFFAOYSA-N	230.032	-0.448	50	10	BBGE	
CCCCN(CC)C(=O)c1cc(B(O)O)n[nH]1	2247783975	NRMPOMRQZWVWCC-UHFFFAOYSA-N	239.084	-0.648	50	10	BBGE	
CCC[C@@H](CO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247797298	IIFFIWHDFCYJTO-OPRDCNLKSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC[C@@]2(CCO2)C1	2247797946	OUERTYYNRYWQGZ-FXPVBKGRSA-N	239.080	-0.369	50	10	BBGE	
CC[C@H](C[C@H](C)O)NC(=O)C1CC(B(O)O)C1	2247799321	BVXLHEYQDXAZPX-AUXWQGHOSA-N	243.112	-0.095	50	10	BBGE	
O=C(N[C@@H]1CNC[C@H](F)C1)[C@H]1C[C@H](B(O)O)C1	2247801049	WKHPGSZDCQVOJP-BGZDPUMWSA-N	244.075	-0.944	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)CO1	2247804908	IRXMHOXVYIZHBU-SGIHWFKDSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@]1(C)CO	2247805653	CBLZHUCLLOANNS-CDLYGTGVSA-N	241.096	-0.674	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247806172	MOHUDZPXDFUYBW-AATLWQCWSA-N	240.112	-0.552	50	10	BBGE	
COC1(CNC(=O)C#CB(O)O)CCCCC1	2247850252	MAKBKJNADFRGFT-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
CCOC[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247870940	SNPYWVLNLZGLRQ-SSDOTTSWSA-N	241.052	-0.886	50	10	BBGE	
C=C(F)CNC(=O)c1cc(B(O)O)cn1CC	2247873135	FQUXJFLKVHKYOV-UHFFFAOYSA-N	240.043	-0.599	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1ccncc1B(O)O	2247873880	NEPZVAUHHRFRSI-OIBJUYFYSA-N	234.064	-0.710	50	10	BBGE	
C=C(C)CNC(=O)c1ccc(C)cc1B(O)O	2247874400	LRAKGQDCEZFPNV-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CC(C)(C)[C@@](C)(O)CNC(=O)C1(B(O)O)CC1	2247878965	OPGPMLCWWFTWPT-JTQLQIEISA-N	243.112	-0.093	50	10	BBGE	
CC[C@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247886732	FVDPFVULXZEWOR-IVZWLZJFSA-N	241.096	-0.389	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[C@@H]1B(O)O	2247887726	RDZXKQSWOCQAMS-SPFKKGSWSA-N	239.080	-0.800	50	10	BBGE	
Cc1cc(C(=O)NC2CC2)cc(C)c1B(O)O	2247893716	WXELNRBNCKLGKQ-UHFFFAOYSA-N	233.076	-0.125	50	10	BBGE	
O=C(NCCCc1ncc[nH]1)[C@@H]1C[C@@H]1B(O)O	2247897685	WBXFQIXAGKPMIT-SFYZADRCSA-N	237.068	-0.679	50	10	BBGE	
CC1(C)[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC[C@H]1O	2247900072	SPWUWNZMSHGATH-RYPBNFRJSA-N	241.096	-0.485	50	10	BBGE	
CC=C1CCN(C(=O)c2cocc2B(O)O)C1	2249408083	DMWWYZJGNQYASV-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
O=C(N[C@H]1CC12CCC2)c1cocc1B(O)O	2249425295	DRNVVVLZRUHWOG-VIFPVBQESA-N	235.048	-0.368	50	10	BBGE	
CC(C)C1(Oc2ccncc2B(O)O)COC1	2250793346	TZMSGGRTLQMEAA-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]2C1)c1coc(B(O)O)c1	2255457847	JOUVSAUEHXZKSD-MBTKJCJQSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1ccncc1B(O)O	2255458740	VXLQPYXYZNXZBJ-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
Cc1ncncc1NC(=O)c1cc(B(O)O)c[nH]1	2255461735	LSBWBKHPHBOTCL-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC[C@@H](C2)C1	2255468311	ZCYLSXBZZICRSN-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
COc1ccc(C(=O)NCCC#N)cc1B(O)O	2255502428	WYWFAXOGPXWPHT-UHFFFAOYSA-N	248.047	-0.982	50	10	BBGE	
Cc1cc(C(=O)NCC2COC2)ccc1B(O)O	2255509750	OVDTXJZTPCWKGF-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
Cc1ccc(C(=O)N[C@H](C)CC#N)cc1B(O)O	2255511760	ONKHNRLWRRPPBW-SECBINFHSA-N	246.075	-0.293	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H]2CCOC2)c1	2255512517	AZAWMRIEDVQBFD-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CCOCC1	2255514697	MJAQBLRCVUTFSM-UHFFFAOYSA-N	249.075	-0.853	50	10	BBGE	
Cn1ccc(C2CN(C(=O)[C@H]3C[C@@H]3B(O)O)C2)n1	2255765245	NGPBWQNPGMWHRC-IUCAKERBSA-N	249.079	-0.791	50	10	BBGE	
CC=CCCNC(=O)c1cc(B(O)O)ccc1O	2256018073	WNAIHFYYRIMHBX-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)[C@@H]2CNC[C@H]1C2	2258355725	LLAXQVFFSRBSTQ-BZBKMWRSSA-N	248.091	-0.862	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC[C@H]1C[C@H]1C(=O)NN	2299030916	RHEVMJBFKZQEDC-BBBLOLIVSA-N	241.335	-0.031	50	10	BBGE	
C#CC#CC1CN(C(=O)C2(B(O)O)CCC2)C1	2300113193	KQTCTIKZDPHBMU-UHFFFAOYSA-N	231.060	-0.522	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1C[C@H]2C[C@@H]2C1=O	2300376134	XOORMEWELQHDIO-JLIMGVALSA-N	237.303	-0.129	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1S[C@H]1CC[C@H]1O	2301341973	VBAHKXMIZKCUEK-KOLCDFICSA-N	249.100	-0.147	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCOC[C@@H](O)C1	2302052573	KOKHFTPPVWSBRZ-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C(=O)NN)nc1C	2303234290	NMVQLDCHJRMFDB-UHFFFAOYSA-N	236.275	-0.353	50	10	BBGE	
CC1(C)NC[C@H]1Oc1cc(B(O)O)c(F)cn1	2303854283	BHLKRXNWVBSUJV-MRVPVSSYSA-N	240.043	-0.970	50	10	BBGE	
C=C1COCCN(c2ncccc2B(O)O)C1	2306853670	BLUYVHKAANOMEN-UHFFFAOYSA-N	234.064	-0.846	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(B(O)O)n[nH]1	2312849603	ISAPOMSBJKFIPI-GJMOJQLCSA-N	249.079	-0.992	50	10	BBGE	
C=C1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1OC	2319322593	GFPHEMPCAOJJDD-VIFPVBQESA-N	247.059	-0.110	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCC#CCO	2320535481	SWQNQGMLJRUCSS-UHFFFAOYSA-N	244.059	-0.964	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1O[C@H]2CC[C@H]1C2	2327632609	ZEUCCCJDKYQAAM-HOTUBEGUSA-N	249.075	-0.292	50	10	BBGE	
COCC1CCN(CCC(=O)NN)CC1	70531633	MIRFKPXNWOKXNU-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
Cn1c(C(=O)NN)nc2cc3c(cc21)OCCO3	75848619	NEOYXBTUBPHQBF-UHFFFAOYSA-N	248.242	-0.052	50	10	BBGE	
CC1(C)CN(CCCC(=O)NN)CCO1	82467985	WTFMFBSXYPNFBQ-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
CCN(CCO)Cc1csc(C(=O)NN)n1	82468828	DXBPYRWAAFQGHM-UHFFFAOYSA-N	244.320	-0.439	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCCOCC1	82469352	NLXSQMKSVBDVCL-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
CC(C)CN(CC(N)=O)[C@@H](C)CC(=O)NN	82469885	CDWLTWVQCKZVCA-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
CC[C@H](C)N1CCN([C@H](C)C(=O)NN)CC1	82471112	CXIZZVJXQKXWQD-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
O=C1CN(C(=O)CCCl)CC(=O)N1	85085474	NSPRWESZDRUYCN-UHFFFAOYSA-N	204.613	-0.900	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)Cl	130220184	VRZJGBFBXVWNBR-SFYZADRCSA-N	248.710	-0.023	50	10	BBGE	
NNC(=O)c1cc2cccnc2[nH]c1=O	137062404	UURWRMKYCLTNEB-UHFFFAOYSA-N	204.189	-0.473	50	10	BBGE	
NC(=O)c1cccc2cc(B(O)O)ccc12	206303821	WXRPOWCYAUTMNI-UHFFFAOYSA-N	215.017	-0.382	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H](CO)C1	216468157	ZLHZXTHFCXSZQP-RKDXNWHRSA-N	215.297	-0.541	50	10	BBGE	
COCCNC(=O)/C(C#N)=C\N1CCNCC1	216540206	XFOVKJKDRNJLRL-KTKRTIGZSA-N	238.291	-0.938	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)C1CCC1	228569152	QSBQFPCYOQQIHL-JTQLQIEISA-N	229.324	-0.008	50	10	BBGE	
N[C@H](CCC(=O)NCCCl)C(=O)O	238650827	HJPUQBKZBSMLNF-RXMQYKEDSA-N	208.645	-0.467	50	10	BBGE	
O[C@H]1CO[C@H]([C@@H](Cl)CCl)[C@H]1O	306813318	CMNHSCHIWCYDLB-OMMKOOBNSA-N	201.049	-0.047	50	10	BBGE	
C[C@H]1CN(S(=O)(=O)CCCl)CC(=O)N1	307593170	GTDZSJJXLVYPNI-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
O=C(NNc1ncccn1)[C@H]1CCNC1	309619686	GOULFYZSFNPTMB-ZETCQYMHSA-N	207.237	-0.471	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H](C(F)(F)F)C1	380025012	OXUQQBPLNAHYAC-BYPYZUCNSA-N	225.170	-0.613	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1CCCCC(=O)NN	385634405	IZJJTVYCNSCVHF-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1CCC(=O)NN	385716285	RPFPJPRIDKWRIT-JGVFFNPUSA-N	201.270	-0.931	50	10	BBGE	
CC(C)(CCN1CC(O)(C2CC2)C1)C(=O)NN	395603654	ZAJQGRJBECEZOR-UHFFFAOYSA-N	241.335	-0.151	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)C[C@H]1O	399925707	QVXQBCKUDNLZRC-HTQZYQBOSA-N	201.270	-0.931	50	10	BBGE	
COC(=O)NNC(=O)c1cc(C#N)cn1C	495406799	FREWHTYDQOETFB-UHFFFAOYSA-N	222.204	-0.102	50	10	BBGE	
C[C@@H](Cl)CCNC(=O)c1nnn(C)n1	697203596	HVAUEFQNFYJBFU-RXMQYKEDSA-N	217.660	-0.043	50	10	BBGE	
OB(O)c1cccc(CN2CC3(CCCO3)C2)c1	702908145	IKOVPZVJWRQSBX-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
C[C@H](CN1C[C@H](C)[C@](C)(CO)C1)C(=O)NN	703786807	VFMARSXNCJAMSM-YWVKMMECSA-N	229.324	-0.437	50	10	BBGE	
C[C@]1(C(F)F)CN(CCC(=O)NN)CCO1	705014389	GZMQQQQSQXMVCN-SECBINFHSA-N	237.250	-0.278	50	10	BBGE	
COC[C@H]1CN([C@@H](C(=O)NN)C(C)C)CCO1	705868593	BTPRTWGQTFQZGS-NXEZZACHSA-N	245.323	-0.652	50	10	BBGE	
COC1(C(=O)NCB(O)O)CCCCC1	706508325	MQMPDPKOZSEDRO-UHFFFAOYSA-N	215.058	-0.536	50	10	BBGE	
CCOC[C@@H]1CCN(CCC(=O)NN)C1	707556982	IBUNLMBIGHWHCV-SECBINFHSA-N	215.297	-0.275	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@H]1CO	708124428	NROLQOVRDZZVRI-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1ccns1	716413754	UHVAEXZWCNEZKY-BYPYZUCNSA-N	214.250	-0.690	50	10	BBGE	
Cc1cc(OCC[C@H]2CO2)ccc1B(O)O	718545320	WCMXGYVFZFOXPM-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1	820454418	GAHQMJRIZXJBLZ-BWZBUEFSSA-N	228.248	-0.652	50	10	BBGE	
C[C@H](CC#N)C(=O)NNC(=O)[C@H]1CCCO1	854638124	YRFXZDISGPAECS-HTQZYQBOSA-N	225.248	-0.137	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNc1ncccc1F	908125155	AVZBMWALCJWQRI-ZETCQYMHSA-N	243.238	-0.204	50	10	BBGE	
Cc1nnc(NNC(=O)c2cccnn2)n1C	1167551573	ZMSIGYRBNUBJBY-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@]1(C)CCCO1	1328076774	BHEDDKJXDAYPRW-KCJUWKMLSA-N	244.291	-0.280	50	10	BBGE	
CCNC(=O)NNC(=O)c1ccc[n+]([O-])c1	1631193508	CBUMQWHHTIFKQL-UHFFFAOYSA-N	224.220	-0.716	50	10	BBGE	
CCONC(=O)NNC(=O)c1cccnn1	1671837461	PYQJQECIMNZLTM-UHFFFAOYSA-N	225.208	-0.628	50	10	BBGE	
O=S(=O)(CCCl)NO[C@H]1CCOC1	1883245423	LTTPHXBZORPKCD-LURJTMIESA-N	229.685	-0.135	50	10	BBGE	
CC(C)=C(COCCN(C)C)B(O)O	1889153167	KNVMONIHUCUHIY-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2Cl)C1	1893461913	UKZREFGQSBEHSI-HSNKUXOKSA-N	218.684	-0.595	50	10	BBGE	
O=C1C[C@H](NC(=O)[C@@H]2C[C@@H]2Cl)C(=O)N1	1893469851	NBUDVUZSMMROOP-WISUUJSJSA-N	216.624	-0.855	50	10	BBGE	
C=C(CN1C[C@@H]2CSC[C@H]2C1)B(O)O	1895169202	JSCNFMLLRLWINA-RKDXNWHRSA-N	213.111	-0.151	50	10	BBGE	
CN(C)NC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)O	1895549668	LGFBCDGEUXFXGW-RNFRBKRXSA-N	231.252	-0.918	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)C[C@@H]1CC[C@H](C(=O)NN)O1	1896175261	GMBQUURJUHDRGU-XFWSIPNHSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3[C@H](O)C[C@H]3C2)CC1	1898237147	IDPVXGOEDQMFRT-DJLDLDEBSA-N	225.292	-0.931	50	10	BBGE	
C#C[C@@H](C)Oc1ccc(C=O)c(B(O)O)c1	1901242578	MZIIIFXFJBPCKC-MRVPVSSYSA-N	218.017	-0.421	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CC1(N)CC1	1901341728	ZBQYZTQXPOXVNW-UHFFFAOYSA-N	249.336	-0.431	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1ncc(B(O)O)s1	1902402622	GKYQGSQWJOUMHG-ZCFIWIBFSA-N	238.077	-0.985	50	10	BBGE	
C[C@@H](C#N)S(=O)(=O)N1CC[C@@](C)(B(O)O)C1	1902510990	FQPMNQHNQDENHA-JGVFFNPUSA-N	246.097	-0.833	50	10	BBGE	
CCCS(=O)(=O)CCN1CC[C@H](B(O)O)C1	1902529180	MNIXABQEXYUWMY-VIFPVBQESA-N	249.141	-0.640	50	10	BBGE	
CN(CC(=O)NN)C[C@@]1(O)C[C@H]1C(F)(F)F	1903119380	NGUHCZKFEVGAKJ-VDTYLAMSSA-N	241.213	-0.779	50	10	BBGE	
C[C@H]1NC[C@@]1(C(=O)O)N1CC=C(C#N)CC1	1903849976	FEBQJTCDDOZVLI-LDYMZIIASA-N	221.260	-0.043	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2OCC[C@@H]2O1	1906140767	FWIGRXLQNMQQAM-KATARQTJSA-N	243.307	-0.757	50	10	BBGE	
CO[C@@H]1CCN(CCOCC(=O)NN)C1(C)C	1914334436	HHZFDCWIRLLRSB-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CN(CC1(CO)CC1)CC(C)(C)C(=O)NN	1915532806	VSNOLBOUPYCOQQ-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CC1(C)C	1915703154	MFPUJFXFTZROHO-IUCAKERBSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](N)CSC[C@H]1C[C@H]1C(=O)NN	1931386511	HINZCBDMXMHQJJ-RRKCRQDMSA-N	203.311	-0.307	50	10	BBGE	
NC(=O)NNC(=O)C1CC2(CCOC2)C1	1931774124	QHYXMAYDSDCWNM-UHFFFAOYSA-N	213.237	-0.497	50	10	BBGE	
O=C1N(C[C@@H](O)CO)CC1(CCl)CCl	1932901916	OUINGPANANLVGM-ZCFIWIBFSA-N	242.102	-0.354	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@H]1CC1(F)F	1937013172	UJGGRBNOQUGIPQ-GSVOUGTGSA-N	248.019	-0.583	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@]1(C)CO	1938797990	AEUISZTXEDRHTF-KWQFWETISA-N	229.324	-0.152	50	10	BBGE	
Cn1cc[nH]c(=NC[C@H]2COC[C@@H]2Cl)c1=O	1939173406	RQHOHYSEBIBGHY-YUMQZZPRSA-N	243.694	-0.132	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@]1(C)CO	1941088556	GJDRVMQLBMRKTM-FYLLDIAZSA-N	241.335	-0.437	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H](C)CN(C)C	1941777164	WBTIVGSKVMCWLR-JTQLQIEISA-N	246.355	-0.735	50	10	BBGE	
NNC(=O)C1(CN(CCCO)C2CCC2)CC1	1945883097	UEOLIUJRLNUPHB-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2OCCO[C@H]2C1	1946406428	IAAOJEFUHPBILS-UTLUCORTSA-N	243.307	-0.755	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12COC[C@@H]1C2	1951320195	FZJKKMKDFJLJFK-NRPADANISA-N	225.053	-0.902	50	10	BBGE	
C#C[C@]1(O)CCN(C[C@H](O)CBr)C1	1954824008	QYYJOTQZKWITRJ-BDAKNGLRSA-N	248.120	-0.188	50	10	BBGE	
N#C[C@H](Cl)CN1CCN[C@H](CCO)C1	1957243504	GBMSMLZCUGMNID-DTWKUNHWSA-N	217.700	-0.226	50	10	BBGE	
Cn1[nH]c(=N)nc1N1CC=C(C#N)CC1	1958383180	STASDIIHTLZQTK-UHFFFAOYSA-N	204.237	-0.112	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)[C@@H]1C	1961681578	UZCMABUJIOLYIY-RNFRBKRXSA-N	207.042	-0.999	50	10	BBGE	
OB(O)c1csc(N2CCCOCC2)n1	1961717854	HEZYSGJFRHTQCH-UHFFFAOYSA-N	228.082	-0.950	50	10	BBGE	
O=C(C1CC(Cl)C1)N1CC(O)(CO)C1	1964991969	ZFMRSIZCKJFHTO-UHFFFAOYSA-N	219.668	-0.431	50	10	BBGE	
CN(Cc1cocn1)C[C@H]1C[C@@H]1C(=O)NN	1976732269	VBJJQBJPURQOGP-APPZFPTMSA-N	224.264	-0.268	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1Cl)c1c[nH]c(=O)cn1	1979657486	FQURIIWZFSTZTJ-CAHLUQPWSA-N	243.650	-0.494	50	10	BBGE	
CN(CCC(=O)NN)Cc1c(Cl)cnn1C	1980182095	FOAVEXACWBTENZ-UHFFFAOYSA-N	245.714	-0.115	50	10	BBGE	
CCN(C)C1CN(CCCCC(=O)NN)C1	1980600874	CKVHBDORPUFBDM-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CN(CCC1CC1)c1ccc(B(O)O)cn1	1981414222	PEZHTHBCNJPREL-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
COC[C@@H](C)Oc1ccc(F)c(B(O)O)c1	1981500413	MFBBHCJZXUUILB-SSDOTTSWSA-N	228.028	-0.081	50	10	BBGE	
CN(C)CCOCc1ccccc1B(O)O	1982825243	ORTBRNQOFMVAOO-UHFFFAOYSA-N	223.081	-0.555	50	10	BBGE	
CCN(CCF)c1ncc(F)cc1B(O)O	1988001208	FTSUOPDUHKLPEK-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1990038883	IYKUKJWJJKCDSZ-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
CN(C)NC(=O)NC1CC([C@@H](F)C(=O)O)C1	1992534227	VYEXSUDBFOUIQN-KPGICGJXSA-N	233.243	-0.037	50	10	BBGE	
CN(CC(=O)NN)C[C@]12CO[C@](CF)(C1)C2	1993939024	IEIOJWLHEIAUHN-AOOOYVTPSA-N	231.271	-0.573	50	10	BBGE	
C[C@@H]1C[C@H](CN(C)C[C@H]2C[C@H]2C(=O)NN)CO1	1996342079	LGGZDIHTOLVBDD-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](C(=O)N[C@@H](CB(O)O)C(=O)O)C(C)(C)C	1998135846	UGOVVRMITUCYTL-BQBZGAKWSA-N	245.084	-0.289	50	10	BBGE	
CC[C@@]1(C)CCN(c2ncc(B(O)O)cn2)C1	2004912638	WJXKFHBGFJSYMO-NSHDSACASA-N	235.096	-0.217	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2C(C)C)c1B(O)O	2004972913	MQWNXLXTRVKBJB-SECBINFHSA-N	235.096	-0.300	50	10	BBGE	
C[C@@H](CN1C[C@H](CCO)O[C@H](C)C1)C(=O)NN	2009339140	QKROWHGSXWVSEQ-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1ccc(B(O)O)cc1	2009675654	HWRBMUYHUKBYCV-MRVPVSSYSA-N	237.064	-0.270	50	10	BBGE	
COCCOc1ccnc2cc(B(O)O)cnc12	2052487816	QGSBDSRBMAPBPA-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
Cc1nc(N2[C@H]3CC[C@H]2COC3)ccc1B(O)O	2052619560	GZXLXWWUTUHLNQ-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)cc1F	2060120585	GRTCZAWWULZRSX-UHFFFAOYSA-N	214.001	-0.087	50	10	BBGE	
N#Cc1c(C=O)ccc(B(O)O)c1C(F)F	2060236744	ZAIOLJGLTMVEKU-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1	2079010130	XCHYOHZMJSTCOX-SNVBAGLBSA-N	243.071	-0.538	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@@H]1C	2211385310	QXEGIWXROBIFCC-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN2C(=O)COC[C@H]2C1	2211716969	GRPIVLXALFOBHP-HTQZYQBOSA-N	246.694	-0.317	50	10	BBGE	
CN(C)C1CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211838938	NTISVYJSQZPWTD-PSASIEDQSA-N	226.324	-0.752	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	2212337424	PWIWKDFFAGPAFY-PBXRRBTRSA-N	233.218	-0.522	50	10	BBGE	
C[C@@H](CN1C[C@@H](N(C)C)C(C)(C)C1)C(=O)NN	2215133555	OIBWJPSIZHUBHZ-VHSXEESVSA-N	242.367	-0.116	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)CCC1	2216493814	MPUYEKWSWIQFFZ-MYJAWHEDSA-N	239.319	-0.683	50	10	BBGE	
CC(C)C1(Oc2ncccc2B(O)O)CNC1	2217184342	OPVVJLGTSNOQKU-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(NCc2cnc[nH]2)cc1B(O)O	2217185536	YRNQYVYZFWQPGI-UHFFFAOYSA-N	232.052	-0.595	50	10	BBGE	
C[C@@]1(Oc2nccc(B(O)O)c2F)CCOC1	2217189562	FZRIEAPILGCOEA-SNVBAGLBSA-N	241.027	-0.542	50	10	BBGE	
C[C@@](CO)(Nc1ccc(B(O)O)cn1)C1CC1	2217197555	NSPXYHASHWPTMT-NSHDSACASA-N	236.080	-0.666	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1Nc1ncccc1B(O)O	2217200319	SCHJTALGULXEBU-DTWKUNHWSA-N	235.096	-0.701	50	10	BBGE	
CC1(C)OCC[C@H]1Nc1ncccc1B(O)O	2217204798	OZTNVTCVAUYHGY-SECBINFHSA-N	236.080	-0.259	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCC[C@H]1C2	2217409410	RTDBOTCZYAQJLC-GZMMTYOYSA-N	234.064	-0.887	50	10	BBGE	
C[C@H]1CCC[C@H]1Cn1cc(B(O)O)cnc1=O	2217409470	SJYHQGZNYXVAGT-IUCAKERBSA-N	236.080	-0.641	50	10	BBGE	
CN1CCC[C@@H]1CCNc1cc(B(O)O)ccn1	2223631838	BJDXAJRCSXXRIN-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CC[C@@H]3CNC[C@H]32)c1	2223654886	UBGDALLQAGKXJR-FBIMIBRVSA-N	248.091	-0.862	50	10	BBGE	
C[C@@H]1CC[C@@H](CN)CN1c1ccc(B(O)O)cn1	2223671819	QBNRDGNVUNDSMS-ZJUUUORDSA-N	249.123	-0.675	50	10	BBGE	
CN(C)C[C@H]1C[C@H](Nc2cc(B(O)O)ccn2)C1	2223674672	QYCDRTUMAYEKKB-HOMQSWHASA-N	249.123	-0.487	50	10	BBGE	
C=CCCN(C)C(=O)c1ccc(B(O)O)o1	2243361497	CCOKDRYCQIABOI-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CC2)C[C@@H]1CN	2243365294	KRRGJENTQCOQMP-SFYZADRCSA-N	226.085	-0.953	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ncccn1	2243392268	SNBIIXARHIMZQP-NKWVEPMBSA-N	221.025	-0.698	50	10	BBGE	
Cc1nnccc1NC(=O)[C@H]1C[C@H]1B(O)O	2243392296	SVGKHHDKIVIEKS-NKWVEPMBSA-N	221.025	-0.414	50	10	BBGE	
C[C@H](C1CC=CC1)N(C)C(=O)C#CB(O)O	2243400707	GQVWFILSWXTLAY-SECBINFHSA-N	221.065	-0.185	50	10	BBGE	
CC1(C)C[C@@H]1CCCNC(=O)C#CB(O)O	2243401672	VLJXVOVGKPFZAH-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
C[C@@H]1NCCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243408420	MYBLSJKGCMLZSH-JGVFFNPUSA-N	226.085	-0.798	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1O)C1(B(O)O)CCC1	2243410737	GYJNHWYYYJTWGY-SFYZADRCSA-N	227.069	-0.587	50	10	BBGE	
CN(C)[S@](C)(=O)=NC(=O)C1(B(O)O)CCC1	2243411724	ZCFSYGOVOABBET-MRXNPFEDSA-N	248.113	-0.516	50	10	BBGE	
C[C@@H]1COC[C@H]1NC(=O)C1CC(B(O)O)C1	2243414241	WOMRJQRFZXYBNE-MDVIFZSFSA-N	227.069	-0.610	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1CC=CC1	2243674108	FKMGHUWTGXQNJG-UHFFFAOYSA-N	238.077	-0.272	50	10	BBGE	
C=CC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2243751783	AUNZXLXHUWJJLB-ZCFIWIBFSA-N	227.025	-0.861	50	10	BBGE	
OB(O)c1cc(O[C@H]2CCNC2)ncc1Cl	2245913294	OYEOTTVJLMCZNT-LURJTMIESA-N	242.471	-0.845	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2Cl)C[C@H]1O	2246058024	SCROOVHIENIUKJ-WCTZXXKLSA-N	247.678	-0.092	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1coc(B(O)O)c1	2247733743	PMDKSJIDFIVUMA-SFYZADRCSA-N	237.064	-0.313	50	10	BBGE	
C[C@H](CCc1ccco1)NC(=O)C#CB(O)O	2247741751	FGBXYIHIPVXHKW-SECBINFHSA-N	235.048	-0.268	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1ccc(B(O)O)o1	2247746784	DMCCCQQNWKMUBW-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
C/C=C/CNC(=O)c1ncc(B(O)O)cc1F	2247749930	BUDIVFYYOMXBTH-NSCUHMNNSA-N	238.027	-0.794	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCC12CC2	2247756842	ODVKQSKSWKBMPN-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
Cc1cc(C(=O)Nc2cnoc2)oc1B(O)O	2247789205	RNGMVSDGMKENTP-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)n(C)n1	2247790584	FPHPNOYRMUNVKE-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
COC[C@@H](C)CN(C)C(=O)C1CC(B(O)O)C1	2247796536	ANTVNPVGXKTJSV-IDKOKCKLSA-N	243.112	-0.020	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H]2CC[C@H](C1)N2	2247808821	WICNBBJYEHCMFC-HKBCETJISA-N	238.096	-0.798	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1C	2247809484	PLLOPCGCBMFPBK-JBDRJPRFSA-N	239.080	-0.120	50	10	BBGE	
O=C(NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1C[C@H]1B(O)O	2247809795	RKMJTIIISHWKRJ-AWKQPOJQSA-N	235.092	-0.133	50	10	BBGE	
C[C@H]1CCC[C@@](CO)(NC(=O)C#CB(O)O)C1	2247850610	QOVJTYBCEVTQBV-GXSJLCMTSA-N	239.080	-0.941	50	10	BBGE	
C[C@@H]1C[C@@]1(C)NC(=O)c1ncccc1B(O)O	2247866776	RWNORYIYGVKMAZ-RDDDGLTNSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)C1NC(=O)C1(B(O)O)CC1	2247871496	CAFLVARBYFMFJO-HTQZYQBOSA-N	240.112	-0.646	50	10	BBGE	
O=C(N1CCC[C@H]2CNC[C@H]21)C1(B(O)O)CC1	2247874755	TVJPWFQGOQIGHS-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2CN1C(=O)C1(B(O)O)CCC1	2247878012	GYJKVXZMXDXTJY-JGVFFNPUSA-N	237.064	-0.222	50	10	BBGE	
C[C@@H]1C(CNC(=O)c2occc2B(O)O)[C@H]1C	2247878840	OCHLFKNKBQYSRF-BQBZGAKWSA-N	237.064	-0.409	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247894460	GZXKISPCURBJQE-ZYUZMQFOSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2C[C@@]2(O)C1	2247904867	RAQMYCJKGQCQFZ-SDNRWEOFSA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@H]1C[C@@H](C(=O)O)C1)C1CC(B(O)O)C1	2248575922	DGLGGSIOJQUKEM-ZHCAFXJNSA-N	241.052	-0.781	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248575960	DRUMIJPJQRQSHE-HSNKUXOKSA-N	243.068	-0.535	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C(C)(C)CC(=O)O	2248587780	UOORAOFLYYVNNX-BQBZGAKWSA-N	243.068	-0.439	50	10	BBGE	
C=C[C@H]1CCCN1C(=O)c1cocc1B(O)O	2249412128	VFXDIRRFUXRVRM-QMMMGPOBSA-N	235.048	-0.250	50	10	BBGE	
CC=C=CCCNC(=O)c1cc(B(O)O)co1	2249432632	ADMBVLDUYGSJDA-UHFFFAOYSA-N	235.048	-0.190	50	10	BBGE	
CC(C)CN(CCOCC(=O)NN)C[C@@H](C)O	2250542825	LUDOEDNGWZNCGX-SNVBAGLBSA-N	247.339	-0.668	50	10	BBGE	
CON(CC1CCC1)c1ccc(B(O)O)cn1	2251001298	KUOAVTONSYXZOJ-UHFFFAOYSA-N	236.080	-0.071	50	10	BBGE	
COC[C@H](OC[C@@]1(C)CCN(C)C1)C(=O)NN	2253318218	ZMHBAWYIVMSSCS-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
Cc1ncnc(C)c1CN(C)C(=O)C#CB(O)O	2255462853	AVVJPYDYVZWJDO-UHFFFAOYSA-N	247.063	-0.933	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1cccc(B(O)O)c1F	2255503598	MSHPBLBHJZNFOP-QMMMGPOBSA-N	249.050	-0.046	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1C	2255511543	LATCSASQFFVXHL-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](c2ncc[nH]2)C1	2255682884	NKZGPHSYPRLGIQ-HLTSFMKQSA-N	249.079	-0.412	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1C	2255683504	XSKLNCYPIYVFTK-SNVBAGLBSA-N	245.087	-0.184	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2255723749	IAZQZOXPFYOFJP-IUCAKERBSA-N	244.059	-0.838	50	10	BBGE	
C#C[C@H]1CCCN(C(=O)c2cocc2B(O)O)C1	2258127561	JXEGFTSERJWSAL-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
O=C(Nc1ccc(F)nc1)c1cc(B(O)O)co1	2258130637	JYJVASFXDULGMO-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccn(C2CC2)n1	2258962719	KECNTHJNQVUUNQ-UHFFFAOYSA-N	247.063	-0.647	50	10	BBGE	
CN(C)C[C@H]1CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165798	YPOUQNMHPNCHMF-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@@H]2CC[C@H]1C2	2298367418	FKKLDKIVVHLYMH-APPZFPTMSA-N	235.048	-0.416	50	10	BBGE	
C[C@@]1(CO)CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298369110	JDMMGOVXOJNWOX-YWVKMMECSA-N	241.096	-0.387	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369527	XPHMCBUHOVWTGA-QEYWKRMJSA-N	241.096	-0.410	50	10	BBGE	
CN1CC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298374647	HDOGTWGMPGUESB-KKZNHRDASA-N	240.112	-0.693	50	10	BBGE	
O=C(NC[C@@]12CCOC[C@H]1C2)[C@@H]1C[C@H]1B(O)O	2298376351	TUFHMBSYVILKPT-CDLYGTGVSA-N	239.080	-0.608	50	10	BBGE	
CNC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376445	WUCZIXQPNZSRAE-OPRDCNLKSA-N	240.112	-0.693	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCCO1	2298376472	XZXXWPXOOUXESG-KKZNHRDASA-N	241.096	-0.075	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@H]1CCN1C	2298952299	DHHCGEMOCIBVBB-SNVBAGLBSA-N	236.080	-0.847	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@H]1CC[C@@H](C(=O)NN)O1	2302405226	HHJGKRSAHWOHRC-AEJSXWLSSA-N	243.307	-0.755	50	10	BBGE	
O=C(C[C@H]1CC[C@@H]1C1CC1)NCC#CB(O)O	2303014578	AEAGXBCJXYYDOK-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2COC[C@H]2C1)C(=O)NN	2303423548	GWUOPSAOYSJUGO-CKYFFXLPSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H]1NC[C@@]1(C(=O)O)N1CCC(O)(C#N)CC1	2305447886	RCKNWDJYONRDBX-GZMMTYOYSA-N	239.275	-0.848	50	10	BBGE	
C[C@@]1(Oc2ccc(B(O)O)cn2)C[C@@H]2NCC[C@@H]21	2312614367	JZTPPSAJVWUGEX-JBLDHEPKSA-N	248.091	-0.719	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1c1cc(B(O)O)ccn1	2314226041	MYMRACDIIGGKGA-QWRGUYRKSA-N	248.091	-0.723	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308265	JCDBCMNWTBSWDQ-VIRWGQHYSA-N	249.075	-0.640	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@H]1C[C@@H](O)C1	2317349645	GSGYDIOBFVSEJF-PHIMTYICSA-N	249.075	-0.862	50	10	BBGE	
CCC#CC(=O)N1CCc2cc(B(O)O)ccc21	2319239988	IJDYJHHAFQRZPS-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
CO[C@@H](C)[C@@H](NC(=O)CCl)C(=O)O	32210997	XCSSIGLYVOZJJK-UJURSFKZSA-N	209.629	-0.171	50	10	BBGE	
CSC[C@@H](NC(C)=O)C(=O)N(C)N	39383518	YFKCGSANEAKIHI-ZCFIWIBFSA-N	205.283	-0.814	50	10	BBGE	
COCCCOC[C@H]1CC[C@H](C(=O)NN)O1	82463217	XSJXRQKWCLYRCH-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)CC(=O)NN)CCO1	82467650	VIPYOFWEPWRNGD-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2cccn2)O1	82468455	QKVDJLUDNUTSLN-SFYZADRCSA-N	210.237	-0.579	50	10	BBGE	
O=C(O)/C=C\C(=O)NNC(=O)c1cccnc1	100025088	PMTJSWVYLYQGEU-ARJAWSKDSA-N	235.199	-0.517	50	10	BBGE	
CC(=O)N1CCN([C@H](C)CCC(=O)NN)CC1	104111547	ULBSWVZABNATDQ-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)CSC	130132382	OOXPSESKLMQVFV-LURJTMIESA-N	220.294	-0.078	50	10	BBGE	
Cn1cncc1-c1cccc(B(O)O)c1	201583348	KPBOPIAMFXRLOW-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
CC[C@@H](N)C(=O)N[C@H](CC(C)C)B(O)O	213616051	GCAUCSIDAMISFT-HTQZYQBOSA-N	216.090	-0.733	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC(N(C)C)CC1	232419212	AEKYQJUNHTZECV-SNVBAGLBSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN1CC(=O)OC(=O)C1	235296641	LDTLCQORBAUPJY-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
COc1cc(OC)c(N)c(C(=O)NN)c1	238405414	LZJGBLVIBWIEKK-UHFFFAOYSA-N	211.221	-0.111	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@](C)(C(N)=O)C1	300534374	VZFLXLNKONOTSY-KCJUWKMLSA-N	242.323	-0.658	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCC1(F)F	306883156	JZYOJPVNFSEREA-BYPYZUCNSA-N	207.180	-0.720	50	10	BBGE	
OB(O)c1ccnc(OC(F)(F)F)c1	307394424	MIFOCYABWMFVHT-UHFFFAOYSA-N	206.916	-0.340	50	10	BBGE	
COC(=O)NCCNC(=O)CBr	308156341	RPISQTBPHVKSNW-UHFFFAOYSA-N	239.069	-0.147	50	10	BBGE	
CN(C)NC(=O)CCSCC(N)=O	308477339	MEXZUWNOIXFXHY-UHFFFAOYSA-N	205.283	-0.812	50	10	BBGE	
COc1ccnc2c(B(O)O)cccc12	308876668	DETGAGMSABZGNJ-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
C[C@H](CC(N)=O)Nc1nc(N)nc(CCl)n1	309198848	AAWVZFJZIZXKOK-SCSAIBSYSA-N	244.686	-0.132	50	10	BBGE	
CNC(=O)C(C)(C)NC(=O)NC(=O)[C@H](C)Cl	312823807	OWWZGHRVLTZNEC-YFKPBYRVSA-N	249.698	-0.036	50	10	BBGE	
Nc1c(F)ccc(B(O)O)c1OC(F)(F)F	321778694	YUGBQKMIKWGISC-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COC[C@H](CCl)NC(=O)c1cn(C)nn1	379909637	LWRZPMRKQFMVHU-LURJTMIESA-N	232.671	-0.201	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@H]2CCOC2)[nH]1	380980247	IKFKAKNQWCDCEY-LURJTMIESA-N	243.698	-0.312	50	10	BBGE	
C[C@H](CN1CC(CN(C)C)C1)C(=O)NN	382239833	AEURQPAYAYUBPB-MRVPVSSYSA-N	214.313	-0.894	50	10	BBGE	
CCCN(CCC(=O)NN)[C@H]1CCOC1	382442543	WNFHKJNMHVMMFM-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
COc1cnn(Cc2nc(C(=O)NN)co2)c1	395360357	QCNGDEZSJLPUDW-UHFFFAOYSA-N	237.219	-0.469	50	10	BBGE	
O=Cc1cc(B(O)O)ccc1CCC(=O)O	396046966	FGMWJRWZWLRKLX-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1C(=O)OC	396136938	KBFXSUSXKLPEFC-UHFFFAOYSA-N	236.032	-0.254	50	10	BBGE	
Nc1cc(B(O)O)c2sccc2c1CO	396242324	JXXMBTARRNOWIF-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)[C@@H](C)CO1	404006394	BYHGHEUWKDIGDN-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)cc1	584968340	KIQOJUHFLJATAW-LDYMZIIASA-N	249.075	-0.726	50	10	BBGE	
O=C(O)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1	585064989	AOUIESKQFFGEFO-JGVFFNPUSA-N	241.052	-0.828	50	10	BBGE	
COc1ccc(B(O)O)cc1O[C@@H]1CCCO1	686729038	SMWFMLUHQRLLDX-LLVKDONJSA-N	238.048	-0.110	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H]2C1	688274805	VRPOGZUHGMNOPQ-XHNCKOQMSA-N	213.281	-0.667	50	10	BBGE	
CN(CCC(=O)NN)C(C)(C)CCO	691094344	FPTSDERHMSGOLE-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1CN(C)C1	692718432	IXBXTHIRNDIMLI-SNVBAGLBSA-N	228.340	-0.506	50	10	BBGE	
COc1ccc(B(O)O)cc1CN1CC[C@H]2C[C@H]21	707083312	BIJMCPAZQLLACT-JOYOIKCWSA-N	247.103	-0.031	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CC12CCN(CC1)C2	715564805	JNSYWULFDUHDCL-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@@H](O)[C@H]1C	718893339	VKKQJBZJIZGTND-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCC[C@]1(C)CO	722999305	GQPFWJJUUJOFNK-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
O=C(NCB(O)O)C1=NC2=CCC=CC2=C1	725669308	BJRVCMGVLABRPZ-UHFFFAOYSA-N	218.021	-0.661	50	10	BBGE	
Cn1cccc1C(=O)NNC(=O)Cn1ccnc1	746102933	BFCWXIAQVIYMTH-UHFFFAOYSA-N	247.258	-0.317	50	10	BBGE	
CC(=O)NNS(=O)(=O)N1CCC[C@@H]1C	775247942	KBIJNYMGUYMFFD-LURJTMIESA-N	221.282	-0.644	50	10	BBGE	
CCNC(=O)CC(=O)NNC(=O)c1ccoc1	780917578	KCBNNGRZNIMNEM-UHFFFAOYSA-N	239.231	-0.433	50	10	BBGE	
COCCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	846387721	BWTMKVYXJQTRDR-IWSPIJDZSA-N	242.275	-0.262	50	10	BBGE	
C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)O)O1	862889898	AOQSLAAGDZJNQR-ACZMJKKPSA-N	216.237	-0.918	50	10	BBGE	
COC(=O)CC(=O)NNC(=O)NC(C)C	906442195	GZHJHNVASUTMSA-UHFFFAOYSA-N	217.225	-0.712	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)c1ccc[nH]1	1135658561	JDGBUDRKFMJKST-UHFFFAOYSA-N	236.275	-0.107	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1	1466140645	CVAYORVBSKQPFX-VIFPVBQESA-N	247.254	-0.279	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1cncnc1	1583536931	PXGTVAUWMUQZCR-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NC1CC(Cl)C1	1881719461	RHUGGDGWRQMXPG-KTSQROGYSA-N	206.673	-0.420	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@H]1C[C@H](O)CN1	1884410908	WHUBMSXFDLUIOQ-RLXKETGRSA-N	218.684	-0.405	50	10	BBGE	
CN1CC(=O)N(C[C@@H]2C[C@@H]2Cl)C(=O)C1	1893098027	GPRGREYHZWYOAI-BQBZGAKWSA-N	216.668	-0.086	50	10	BBGE	
C[C@@H](N)[C@H](O)C(=O)NCC1CC(Cl)C1	1893509306	LRTPOUGIDJAIKX-CQRKAFIDSA-N	220.700	-0.172	50	10	BBGE	
CCN1[C@H]2CC[C@@H]1CN([C@@H](C)C(=O)NN)C2	1899568220	KKLRMITXSCDNEF-LPEHRKFASA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)CCN1Cc2cc(F)cnc2C1	1900316033	XPQITGGJAJUYJC-UHFFFAOYSA-N	224.239	-0.084	50	10	BBGE	
O=C(CCl)N1CC[C@]2(C[C@H](O)CO2)C1	1901464094	ZDGRBQGNJKFKKD-CBAPKCEASA-N	219.668	-0.023	50	10	BBGE	
CC[C@@](C)(CN1CC=C[C@H]1CO)C(=O)NN	1902715225	FOCKCAYGALGXFM-ONGXEEELSA-N	227.308	-0.375	50	10	BBGE	
CNCCCSc1cc(B(O)O)c(F)cn1	1903005000	AWXHJEVRLNNQHP-UHFFFAOYSA-N	244.100	-0.398	50	10	BBGE	
C=C1COCCN(C(=O)C2(B(O)O)CC2)C1	1904706592	UEQQSCPZTYBIMZ-UHFFFAOYSA-N	225.053	-0.592	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1CCC[C@@H](C(=O)NN)O1	1909804991	KAGFBADWZWUTCG-GUBZILKMSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)c1ccc(CSCCO)cn1	1910226067	YNGCDDYXXABTAV-UHFFFAOYSA-N	227.289	-0.089	50	10	BBGE	
C[C@H](CN1C(=O)[C@H]2CCC[C@H]21)C(=O)NN	1912296603	KRXVEHLTWOVPJJ-GJMOJQLCSA-N	211.265	-0.377	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@@H](C)C(=O)NN	1913468710	MHJDIPJLANAMQR-SSDOTTSWSA-N	237.325	-0.716	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)N1CCCC1	1913671771	YLPNDBKGLZEECR-UHFFFAOYSA-N	235.052	-0.611	50	10	BBGE	
CO[C@H]1CCN(CCCC(=O)NN)[C@H]1C	1914334080	FEUKYKYJTQOYHC-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
OB(O)c1cc(F)cc(CN2CC(F)(F)C2)c1	1917267145	ULCNAYZSQRMXAB-UHFFFAOYSA-N	245.009	-0.044	50	10	BBGE	
C#CC(=O)NNC(=O)COCc1ccccc1	1923223651	VCZDPMVILLYHSN-UHFFFAOYSA-N	232.239	-0.016	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)C(F)(F)F	1923411484	FEVQHWVJLNUCHA-YFKPBYRVSA-N	239.197	-0.210	50	10	BBGE	
CCOC(=O)CSC[C@@H]1C[C@H]1C(=O)NN	1927918383	RTFHTLPNIHAAFZ-NKWVEPMBSA-N	232.305	-0.091	50	10	BBGE	
CN1C[C@H](NCCn2cnnn2)[C@H](Cl)C1	1928751201	OZIVFHAPHWIVRK-SFYZADRCSA-N	230.703	-0.816	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@@H]2CC[C@H]1O2	1929838089	IZSPGNMJBUPVBO-BIIVOSGPSA-N	200.238	-0.833	50	10	BBGE	
C[C@@H](CS(=O)(=O)N(C)C)NC(=O)CCl	1931244983	ZGGXVGFHBUGIAC-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
OC[C@H](O)C1CCN(C[C@H](O)CCl)CC1	1932260295	WUGGZAZFLQGGRM-ZJUUUORDSA-N	237.727	-0.349	50	10	BBGE	
C[C@]1(Cn2cc(B(O)O)cn2)CCCO1	1932492206	IHYIHRKWVJMSGW-SECBINFHSA-N	210.042	-0.868	50	10	BBGE	
NC(=S)NNC(=O)c1cnnn1C1CC1	1933228065	XXRHRENWKZSAMS-UHFFFAOYSA-N	226.265	-0.909	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NCB(O)O)C2	1935033699	LUNZMJPLAUDTJV-KXNKJCORSA-N	213.042	-0.928	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CC(F)(F)C(=O)NN	1935942479	QTMKWWSWNOFMBJ-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCSC1=O	1936082988	HHEJAPSXMUEPLO-NTSWFWBYSA-N	243.288	-0.302	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](O)CC1	1936094010	JNYDWSYVYWJTQR-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CSC[C@@H]1CCCN1CCOCC(=O)NN	1936537035	XVUPLEXHXAZQOZ-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC2(CC(O)C2)C1	1937040082	CIXQJNJMPCVEJE-SECBINFHSA-N	227.308	-0.398	50	10	BBGE	
COC[C@H](Cl)CNC(=O)CCn1cnnn1	1937147450	WZNNQHUJDDZDMO-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1C[C@]12CCOC2	1939718360	DEOQEHMMLPXFMX-KKZNHRDASA-N	227.308	-0.277	50	10	BBGE	
CC(C)N1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941085332	CQYYRDGRJRRVOL-WDEREUQCSA-N	240.351	-0.362	50	10	BBGE	
CO[C@@H](C)CN(CCOCC(=O)NN)C(C)C	1941772423	JARNQMSMNRXDSA-JTQLQIEISA-N	247.339	-0.262	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1C(N)=O	1942615872	LHMBTJXBSJTRRN-IWSPIJDZSA-N	242.323	-0.803	50	10	BBGE	
CCOCCCOC[C@H]1CC[C@@H](C(=O)NN)O1	1944134356	JUIGJLFUSYFWQP-ZJUUUORDSA-N	246.307	-0.033	50	10	BBGE	
CN(C)[C@]1(C)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1944903263	VBYYRUOUNWSSHU-JFGNBEQYSA-N	240.351	-0.362	50	10	BBGE	
N#CC1(O)CCN(CC2(C(=O)NN)CC2)CC1	1945912658	MTHBNDIANTWVES-UHFFFAOYSA-N	238.291	-0.893	50	10	BBGE	
NNC(=O)COCCN1CC2(CC=CCO2)C1	1946044021	NAAOZJOJINEJAJ-UHFFFAOYSA-N	241.291	-0.976	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1ccc(O)c(O)c1O	1952876310	FRRZNKAYKQNVLP-RQJHMYQMSA-N	210.189	-0.312	50	10	BBGE	
CC(C)(C)OC(=O)N(N)C[C@@](C)(O)CO	1953129631	LHARLSPLOMGGSW-SECBINFHSA-N	220.269	-0.160	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C)(N(C)C)C1	1955538912	OEMMOJHKRDESQA-ZETCQYMHSA-N	200.286	-0.999	50	10	BBGE	
CON(C)c1ncc(Cl)cc1B(O)O	1956965785	MHQPPVWHNHENNP-UHFFFAOYSA-N	216.433	-0.588	50	10	BBGE	
CSCC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1958881342	NXLSPRGHDCANLP-BDAKNGLRSA-N	229.349	-0.093	50	10	BBGE	
CN(CCCn1cccc1)CC(=O)NN	1961477010	ATLBRANCLAGFPD-UHFFFAOYSA-N	210.281	-0.200	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1NC(=O)CCCCl	1962120689	CYZLKEZESPUCEF-HTRCEHHLSA-N	234.683	-0.236	50	10	BBGE	
C#CC1CC(NC(=O)c2ccc(B(O)O)cc2)C1	1962738683	QRKPGPILBAEFSM-UHFFFAOYSA-N	243.071	-0.492	50	10	BBGE	
O=C(Nc1cncnc1)c1ccc(B(O)O)cc1	1969430094	FCPGOTXSBNYMSN-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
C#C[C@H](CCl)NC(=O)[C@H]1CCCS1(=O)=O	1974775054	BXEVKKIQNAOYBI-HTQZYQBOSA-N	249.719	-0.080	50	10	BBGE	
COCCO[C@@H]1CCN([C@H](C)C(=O)NN)C1	1976096821	MIOQNSRKAGZMAC-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(F)C[C@]1(C)CO	1976215615	VPPYNXJXWJTIOE-HTRCEHHLSA-N	237.250	-0.543	50	10	BBGE	
O=C1CN([C@@]23COC[C@H]2C3(F)F)CC(=O)O1	1977407724	VPYGXKOKBWDSNQ-XRGYYRRGSA-N	233.170	-0.594	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCCc2cn(C)nn2)C1	1978595729	PKHRPXFLYSBWKY-VHSXEESVSA-N	243.742	-0.131	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC([C@H](F)CO)C1	1979547599	ILXKDCPINHHQNP-IONNQARKSA-N	233.287	-0.593	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCOC2(CC2)C1	1980204765	HDKTXLAPESVJIQ-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CC1(C)C	1981419971	DGRDNHJJRABZIS-VIFPVBQESA-N	220.081	-0.004	50	10	BBGE	
COC[C@]1(F)CCN(C[C@@H](C)C(=O)NN)C1	1984643695	BOXOBSJGRPJJTN-SCZZXKLOSA-N	233.287	-0.327	50	10	BBGE	
N#CC1=CCN(C(=O)C2(CN)COC2)CC1	1987658396	XNEFFPXKYLWQEF-UHFFFAOYSA-N	221.260	-0.356	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CO)C12CCC2	1988759591	ASPFOVRPRSZVQI-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC(C)(CN1CCSCCC1=O)C(=O)NN	1989922114	GTQAUULKFYCOKF-UHFFFAOYSA-N	245.348	-0.032	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](Cn2ccnn2)O1	1990164203	JWUQKFSPSXZCKM-HTQZYQBOSA-N	225.252	-0.794	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](Cn2cncn2)O1	1990165199	WHCSYEPRTNXNMT-JGVFFNPUSA-N	225.252	-0.794	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCSC[C@H]1C	1990773219	SPMMNFBPFVCRJF-MRVPVSSYSA-N	245.348	-0.019	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O	1991704068	OQDDJLDCQPBEFR-DBLDEKNISA-N	245.662	-0.740	50	10	BBGE	
C[C@@H]1OCC[C@]1(O)CNC(=O)/C=C/C(=O)Cl	1991706750	SWJBKHPYUOLZIK-BDRIAGRASA-N	247.678	-0.036	50	10	BBGE	
NNC(=O)C(=O)N1CCCC[C@H]1c1ncon1	2004031186	JEADWSWWWIFWFZ-LURJTMIESA-N	239.235	-0.887	50	10	BBGE	
CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NN	2004373914	WGGDEVBCBKTSNS-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
N#Cc1cncc(OCC(F)(F)C(=O)NN)c1	2007701118	QSEMAWYJZPLGDE-UHFFFAOYSA-N	242.185	-0.043	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@H](O)C(C)(C)[C@H]21	2008730258	JKBCDJIKMCBWHL-JXUBOQSCSA-N	241.335	-0.154	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@]2(C1)C[C@@H](O)C2	2011293663	QVVIAULPKCFTDM-OTSSQURYSA-N	249.261	-0.542	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2CC[C@@H]2C1	2014770591	YFRHUKDVTABCEB-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
CC(=O)NNC(=O)CN(C)c1ccc(C)nc1	2019983068	SOJIDUJKJBKUIP-UHFFFAOYSA-N	236.275	-0.006	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)CC(=O)NN)C[C@H]1OC	2022123971	LKDOTOYKJPIYNT-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC2CC1C2	2022196178	IKHBADFCBRTCNE-UHFFFAOYSA-N	231.060	-0.399	50	10	BBGE	
Cc1cnn(C2CN(C[C@H]3C[C@@H]3C(=O)NN)C2)c1	2050891670	MIRHEVXXBSBQES-KOLCDFICSA-N	249.318	-0.326	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(F)c1	2053734852	IDCVTKTZJXJMNO-MRQALGCZSA-N	248.066	-0.255	50	10	BBGE	
O=C([C@H]1C[C@@H]1F)N1CCc2c(B(O)O)cccc21	2055635024	ZOKVGEPWOOZJKP-WPRPVWTQSA-N	249.050	-0.387	50	10	BBGE	
O=Cc1cc(B(O)O)c(F)c([N+](=O)[O-])c1	2060060526	ZDCFLEMUTVQSHG-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCc1ccc(F)c(B(O)O)c1[N+](=O)[O-]	2060083732	CMLTWIKZVRIXQS-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCc1cc([N+](=O)[O-])cc(B(O)O)c1F	2060090418	BJLSKKRFLYNMTC-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1cc(C)cc(B(O)O)c1C=O	2060147867	QYTUFICILOGKQL-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCOc1cc(C#N)c(B(O)O)cc1F	2060174998	UYALDBPXTXUOHD-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
O=C(N[C@@H]1CC[C@H](O)C1)c1cccc(B(O)O)c1	2079010055	MHRLTHIPPHHIKZ-MNOVXSKESA-N	249.075	-0.990	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1ccc(B(O)O)cc1	2079011825	JXOUQALIQHPALM-RYUDHWBXSA-N	245.087	-0.105	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H](F)C[C@@H](Cl)C1	2210710684	WYAOSPWVCSDHFU-RQJHMYQMSA-N	247.661	-0.149	50	10	BBGE	
OB(O)c1csc(CN2C[C@@H]3C[C@H](C2)O3)c1	2211078278	LQDVYLNZALYWBE-DTORHVGOSA-N	239.105	-0.599	50	10	BBGE	
OB(O)c1csnc1CN1CC2(CC2)CO1	2211136289	QKDLOLRCOQCNFK-UHFFFAOYSA-N	240.093	-0.650	50	10	BBGE	
C[C@@H](COCc1cscc1B(O)O)N(C)C	2211139220	DPQARYUEVPCKTD-QMMMGPOBSA-N	243.137	-0.105	50	10	BBGE	
COC[C@@]12CCC[C@@H]1CN(CC(=O)NN)C2	2212539162	BDLLAXSFOHLONY-KOLCDFICSA-N	227.308	-0.275	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1nccc(B(O)O)c1F	2212605723	JEFCNUKLVWFZQO-NKWVEPMBSA-N	226.016	-0.900	50	10	BBGE	
C#C[C@H]1C[C@@H](Nc2cc(B(O)O)ccn2)C1	2212615692	SRALVIQNIXOOSI-WAAGHKOSSA-N	216.049	-0.415	50	10	BBGE	
NC[C@@H]1CCN(Cc2cccc(B(O)O)c2)C1	2214593286	QWVOUPFTGAUACM-NSHDSACASA-N	234.108	-0.853	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@@H](O)[C@H]1C2	2215778091	XFUHTSOFNXDPDJ-RCZSTQMZSA-N	239.319	-0.542	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CCO[C@@]2(C#N)C1	2216068771	RFAPSYHSWIBXTH-NGZCFLSTSA-N	238.291	-0.631	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3[C@H](C2)C3(F)F)c1	2217174722	XUGCWNOEXJQNAL-OCAPTIKFSA-N	240.018	-0.537	50	10	BBGE	
CCN(CC(C)(C)O)c1ccc(B(O)O)cn1	2217177403	IQFGDCKWZDYISO-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
C[C@H]1OCC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217197015	WRWDRVVSJVAEBW-BDAKNGLRSA-N	236.080	-0.980	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@@H]3CNC[C@@H]3C2)c1	2223635418	WYHBJTXOXITLIJ-DOFRTFSJSA-N	247.107	-0.829	50	10	BBGE	
C[C@H]1C[C@H](CNc2ncccc2B(O)O)CN1C	2223639920	UAZSFESHXDZKKL-VHSXEESVSA-N	249.123	-0.487	50	10	BBGE	
Cc1nc(CNc2ncccc2B(O)O)oc1C	2223649203	VNOLADRREFBXHW-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cnc(N[C@@H]2CNCC[C@H]2C)cc1B(O)O	2223652721	KXAUZMPNHHJEIF-LDYMZIIASA-N	249.123	-0.520	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2C[C@@]23CCOC3)[nH]c1	2223670763	CFPCDSQOFVJFEC-JOYOIKCWSA-N	248.091	-0.978	50	10	BBGE	
CCc1ncncc1Nc1cc(B(O)O)ccn1	2223675217	QEKMCJUEOYYNGJ-UHFFFAOYSA-N	244.063	-0.143	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2CCCCN2)[nH]c1	2223678133	XLMWCSSIFOPSFE-LLVKDONJSA-N	249.123	-0.873	50	10	BBGE	
O=C(F)OC[C@@H]1CO[C@@H]2CNC[C@@H]2O1	2241301810	YLIQDZPDMFKEIP-XVMARJQXSA-N	205.185	-0.152	50	10	BBGE	
O=C(N[C@H]1C[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2241480009	HDRFACKLTBDGEW-UCROKIRRSA-N	201.006	-0.534	50	10	BBGE	
C[C@@H](O)CN(CCN)C[C@H](Cl)C#N	2241657714	BACIVMFFYKPZHB-HTQZYQBOSA-N	205.689	-0.241	50	10	BBGE	
CNC1CCN(C(=O)NN(C)C)CC1	2241682263	VEIIJLRGNSFMCB-UHFFFAOYSA-N	200.286	-0.144	50	10	BBGE	
C[S@](=O)CCN1CCC(B(O)O)CC1	2241742085	VIBDUZNQNBBDHL-AWEZNQCLSA-N	219.115	-0.696	50	10	BBGE	
CC#CCN(C)C(=O)c1cscc1B(O)O	2243347844	QXCVNDLXQHPKGP-UHFFFAOYSA-N	237.089	-0.477	50	10	BBGE	
C[C@H]1CC(NC(=O)C#CB(O)O)C[C@H](C)C1	2243357406	WJZCHPIFBOUBCW-RKDXNWHRSA-N	223.081	-0.057	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)s1	2243362524	SCIYBPLOEADEKI-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
CC(C)[C@](C)(CO)NC(=O)C1(B(O)O)CC1	2243366082	XDVGMHLUMKPAEC-VIFPVBQESA-N	229.085	-0.483	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC[C@H](F)C1	2243378093	MKRAEFFJOBXECM-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
CC[C@H](C)CNC(=O)c1csnc1B(O)O	2243399325	YXSBTRNCIOGCAO-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
CC(C)OC(=O)CNC(=O)C1(B(O)O)CC1	2243409245	DLFGDJDZKSPYPM-UHFFFAOYSA-N	229.041	-0.939	50	10	BBGE	
C=CC(=O)N1CCc2ccc(B(O)O)cc21	2243675031	QWRVOJIRLUBUND-UHFFFAOYSA-N	217.033	-0.559	50	10	BBGE	
CN(CCC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243753328	SQXKVVZXPOOYKJ-LJGSYFOKSA-N	229.041	-0.828	50	10	BBGE	
NCc1cn(CCNC(=O)[C@@H]2C[C@@H]2Cl)nn1	2244563136	BBVCDBILDGBRDU-SFYZADRCSA-N	243.698	-0.520	50	10	BBGE	
CC(C)(CN)Oc1cc(B(O)O)c(Cl)cn1	2245913828	YSXHNEFPVNXCRJ-UHFFFAOYSA-N	244.487	-0.469	50	10	BBGE	
COc1ccc(B(O)O)c(OCC2CCC2)n1	2247232835	JKEKIKASBHJKDN-UHFFFAOYSA-N	237.064	-0.051	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)C1(B(O)O)CC1	2247750714	NCVLVMQURDJMKA-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
Cn1ccnc1CCNC(=O)C1(B(O)O)CC1	2247759293	ZUEXIGIJBQHUCR-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
CON(C)C(=O)c1cc(B(O)O)cn1C(C)C	2247759402	PRYBOOZUXYCPCT-UHFFFAOYSA-N	240.068	-0.618	50	10	BBGE	
CC=CCCNC(=O)c1cncc(B(O)O)c1	2247776178	VKFWUOQXBLEDBN-UHFFFAOYSA-N	234.064	-0.543	50	10	BBGE	
CN(Cc1ncno1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787684	SGEXEQAEYWYDRK-KNVOCYPGSA-N	239.040	-0.719	50	10	BBGE	
COC[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799480	DMZZSJVEQJKDKE-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
COCCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCC1	2247800076	KZRLXEHZDPOAIU-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
CC1(O)CC2(CN(C(=O)[C@@H]3C[C@@H]3B(O)O)C2)C1	2247808885	MYEMQAARSGALTI-SFYZADRCSA-N	239.080	-0.777	50	10	BBGE	
CCN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247810061	UKAMVQCJIZMWHH-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
Cc1ncccc1CN(C)C(=O)C#CB(O)O	2247851178	WHZIGMRSRGRGJJ-UHFFFAOYSA-N	232.048	-0.636	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)C1	2247854541	DZHDBTPRNKARLK-AFWXGSBKSA-N	240.112	-0.565	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)cc1C	2247859372	MLPFJLQUJSPICZ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
O=C(c1ccc(B(O)O)c(F)c1)N1CC=CC1	2247868464	UPDGXONHNIEQFA-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cncc(B(O)O)c1	2247869435	RKZHWXGMCXNVMW-CPCISQLKSA-N	234.064	-0.710	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccncc1B(O)O	2247871953	KAQJSAREJDHFDD-OIBJUYFYSA-N	234.064	-0.758	50	10	BBGE	
O=C(N[C@H]1C[C@]12CCCOC2)C1(B(O)O)CC1	2247872105	MZSRXMCYTUNPBU-WPRPVWTQSA-N	239.080	-0.321	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1ccncc1B(O)O	2247873232	HCOASOWYYUTQFK-QMMMGPOBSA-N	234.064	-0.544	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1C	2247878447	JWORQVRHXQQMOB-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC1CC2(COC2)C1)C1(B(O)O)CCC1	2247878705	MHPBEKPNGHKREK-UHFFFAOYSA-N	239.080	-0.321	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCCC[C@@H]1CCO	2247894094	CHEFBAMTGGYJHP-BBBLOLIVSA-N	241.096	-0.387	50	10	BBGE	
C#CCN(CC#CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247895423	SIIHFJCJSXSPTH-XYPYZODXSA-N	233.076	-0.276	50	10	BBGE	
Cc1ccc(CNC(=O)[C@@H]2C[C@H]2B(O)O)nc1	2247895578	UESUNJGMWHPHMA-NXEZZACHSA-N	234.064	-0.131	50	10	BBGE	
NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247902084	CIKYGOZKXCVQJU-GENCIFFESA-N	238.096	-0.955	50	10	BBGE	
CN(C)[C@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247903772	MOHUDZPXDFUYBW-QLEHZGMVSA-N	240.112	-0.552	50	10	BBGE	
C[C@@H]1CCOCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911763	YICKIDSNNRDXOM-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)C1(B(O)O)CC1	2248574105	OPFBEWRQLRADIM-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@@H]1C(=O)O	2248575320	BAEHSUDMQOCRAI-OOJXKGFFSA-N	241.052	-0.972	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)O)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2248580467	YNXPOEVYRCBAFH-HSNKUXOKSA-N	241.052	-0.687	50	10	BBGE	
O=C(O)c1cnc(NC(=O)C2(B(O)O)CC2)o1	2248594751	YRRDJVPSCQKDSO-UHFFFAOYSA-N	239.980	-0.682	50	10	BBGE	
CC(C)(CN1CCC[C@@H]1CC(N)=O)C(=O)NN	2249305264	HJZVSPXFYJUVKR-MRVPVSSYSA-N	242.323	-0.658	50	10	BBGE	
C#CCCCN(C)C(=O)c1cocc1B(O)O	2249418113	PFFHDSUSJPNTLP-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
Nc1ncccc1NC(=O)c1ccc(B(O)O)o1	2255466969	GXDAUJSLRBFNGY-UHFFFAOYSA-N	247.019	-0.811	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1CCOC1	2255514929	PSPQXMYEPJMLQJ-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
O=C(N[C@H]1C[C@@H](n2ccnc2)C1)[C@H]1C[C@@H]1B(O)O	2255568438	MMMNGZPCZRODIK-JXUBOQSCSA-N	249.079	-0.434	50	10	BBGE	
Cn1cnc2cc(NC(=O)C#CB(O)O)ccc21	2255669094	JLKWEKFMBOHIJK-UHFFFAOYSA-N	243.031	-0.473	50	10	BBGE	
C#CCC(C)(C)NC(=O)c1ccncc1B(O)O	2255724970	SGAIOXORYOAXDV-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1C[C@H]2C[C@@H](C1)C2	2255730482	NCZRLWVBIJBBFT-DTORHVGOSA-N	246.075	-0.757	50	10	BBGE	
O=C(NCC1CCC1)c1cc(B(O)O)ccc1O	2256017854	UQRODSHDANTUND-UHFFFAOYSA-N	249.075	-0.398	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2nccnc2B(O)O)C1	2256059235	PJKDSHGHPQSEER-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
OB(O)c1cccc(F)c1CN1O[C@H]2C=C[C@H]1C2	2261001011	ZPBYOWNFEWQDOF-IUCAKERBSA-N	249.050	-0.050	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H](O)[C@H]2C3)CCC1	2298188496	WPOYWWXXZIURLO-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2C(C(F)F)[C@H]2C1	2298369166	LFTOANNCHKNZBN-ZTYPAOSTSA-N	245.034	-0.181	50	10	BBGE	
O=C(NC[C@H]1CCN1C1CC1)[C@H]1C[C@H]1B(O)O	2298369371	RWQTVCACLFCLLI-KXUCPTDWSA-N	238.096	-0.798	50	10	BBGE	
O=C(NC1([C@H]2CCNC2)CC1)[C@H]1C[C@H]1B(O)O	2298375543	OBBARVLFVGXFKL-XHNCKOQMSA-N	238.096	-0.892	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1C[C@@H](N)C1	2301340260	BUHOMIWEFFANPR-AOOOYVTPSA-N	232.048	-0.893	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](C#N)N2CC[C@H]1C2	2303292645	RPLLUHVRZBQSAA-KXUCPTDWSA-N	237.307	-0.963	50	10	BBGE	
CC[C@@](C)(CN1CC(CO)(OC)C1)C(=O)NN	2303421870	BMGZOHXYFBUDLI-JTQLQIEISA-N	245.323	-0.914	50	10	BBGE	
COC[C@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317308468	KJPZCLGKFIYWFQ-SKDRFNHKSA-N	249.075	-0.374	50	10	BBGE	
O=C(NCCCl)N[C@H]1CCS(=O)(=O)C1	5426090	RINQFOLEIAHSOY-LURJTMIESA-N	240.712	-0.289	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@@H]1N=C=O	20257992	CLNZNAGCEJUAJV-SSDOTTSWSA-N	219.266	-0.450	50	10	BBGE	
CC1=C(C=O)CN2C=NC(N)=C(N)C2=N1	74203459	VXWWHNHEVKHEEN-UHFFFAOYSA-N	205.221	-0.698	50	10	BBGE	
C[C@@H](OCC1CCOCC1)C(=O)NN	82465375	FQGIVYBLENOOSP-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
CCN(CCC(=O)NN)[C@H](C)COC	82469477	DRXPLMXMXGSMTA-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)CCN1C	82485336	VZPAINDCFJLNEH-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
C[C@@H](C(N)=O)N1CC[C@H](Br)C1=O	82606986	CUINXBLSOYFRIH-WHFBIAKZSA-N	235.081	-0.144	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(C)(O)CC1	88023288	OZRQJISPFPKJRB-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C/C(NCCCC(=O)O)=C(\C#N)C(N)=O	103716880	UJBCLKWSOJJQRW-SREVYHEPSA-N	211.221	-0.276	50	10	BBGE	
O=C(O)/C=C\C(=O)OC(=O)/C=C\C(=O)O	113032106	PQTMBYUVHBQQJH-CCAGOZQPSA-N	214.129	-0.662	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCNC(N)=O	132276933	HJZXBLGXKGABSF-YFKPBYRVSA-N	207.661	-0.354	50	10	BBGE	
COC(=O)NS(=O)(=O)N1CCC[C@@H]1N=C=O	168530052	ZYVLWBGLSZGMTE-ZCFIWIBFSA-N	249.248	-0.655	50	10	BBGE	
COC(=O)[C@@H](O)CNC(=O)CCCCl	227260575	NKRCOCUEEUPXAE-LURJTMIESA-N	223.656	-0.345	50	10	BBGE	
CCN(CC(N)=O)S(=O)(=O)CCl	231827042	VSBSXWSMSLDFGZ-UHFFFAOYSA-N	214.674	-0.680	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)C[C@@H]1C	233356292	KHYJLZFULGKJBQ-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CN(C[C@H](Cl)C(=O)O)S(=O)(=O)C1	306479995	IOOXFHGPJSLSLX-RITPCOANSA-N	241.696	-0.040	50	10	BBGE	
O=C(O)[C@H](Cl)CN1C2COCC1COC2	307129180	XQXVFHSQWFFYKZ-KAVNDROISA-N	235.667	-0.222	50	10	BBGE	
CN1CC(Nc2nc(N)nc(CCl)n2)C1	307281532	HCKNXHYNJYHVAX-UHFFFAOYSA-N	228.687	-0.082	50	10	BBGE	
O=Cc1cccc(OCCCF)c1B(O)O	309350251	OLNWVGOEQGSTMA-UHFFFAOYSA-N	226.012	-0.083	50	10	BBGE	
COC[C@H](SC(C)(C)CO)C(=O)NN	381901564	VGJZLUKNLRBTKH-LURJTMIESA-N	222.310	-0.505	50	10	BBGE	
COC(=O)/C=C(\N/C=C\C#N)C(=O)OC	383919957	JAVCLDSZUCYJOR-VKLRWAGZSA-N	210.189	-0.157	50	10	BBGE	
CC1(O)CN(Cc2cccc(C(=O)NN)n2)C1	384044117	KROMGZPOSZNIRD-UHFFFAOYSA-N	236.275	-0.748	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H](O)C1(C)C	393788256	ZTNWEYACIDAWPA-YIZRAAEISA-N	229.324	-0.154	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1CO	396038973	IFHAOQFMISGKPP-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
Nc1cc2sccc2c(B(O)O)c1C=O	396274524	MKISGXQEECARIH-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
O=C(O)c1ccc2scc(B(O)O)c2c1O	396376813	FDZAQSSWGNJUNN-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN2C[C@@H](O)C[C@H]2C1	405554478	AHSCPHSTFDZGKE-CIUDSAMLSA-N	232.711	-0.109	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)OCCl	692864345	UBPFBWDNDFMXSI-UHFFFAOYSA-N	230.673	-0.413	50	10	BBGE	
COC[C@H](CO[C@H](C)CCC(=O)NN)OC	695710039	MPUULFHEVMKEGY-RKDXNWHRSA-N	234.296	-0.177	50	10	BBGE	
CC(C)(C)c1nnsc1C(=O)NCB(O)O	702017485	NJZKQTPEIHZZDD-UHFFFAOYSA-N	243.097	-0.423	50	10	BBGE	
Cc1nc(O)nc(O)c1CCC(=O)N(C)N	704680718	DQNBKZCLYAAGIO-UHFFFAOYSA-N	226.236	-0.539	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(n2cccn2)C1	707400810	WSLLQLRUGLQBPH-IUCAKERBSA-N	237.307	-0.246	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1ncnn1C	707412015	SMYSKYQOFFIBOY-JGVFFNPUSA-N	240.311	-0.739	50	10	BBGE	
C[C@@H](C(N)=O)N(C)S(=O)(=O)CCl	711061455	MRYYGWJNAVOCFA-BYPYZUCNSA-N	214.674	-0.682	50	10	BBGE	
COc1ccc2c(c1)c(B(O)O)nn2C	716783636	HKUKOQLJWHQHQP-UHFFFAOYSA-N	206.010	-0.738	50	10	BBGE	
CC(C)(CN1CCN2CCC1CC2)C(=O)NN	722805755	BULYKUXMGXBGRZ-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
NNC(=O)CCN1CC[C@H]2OCC[C@H]2C1	724823466	UTZMWKONAJDOSD-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)O)O1	768259603	MAVOWUIWOIVDAL-RNFRBKRXSA-N	230.264	-0.528	50	10	BBGE	
COCC(=O)NNC(=O)Nc1ccnnc1C	776486477	FNIDABNGVRLNIU-UHFFFAOYSA-N	239.235	-0.416	50	10	BBGE	
C[C@H]1CC(=NNC(=O)c2cn(C)nn2)CN1C	853386165	WJZGAQGOQRSPMZ-ZETCQYMHSA-N	236.279	-0.375	50	10	BBGE	
C#CCCCC(=O)NNC(=O)Cn1ccnc1	887144211	FYZUEBBMRUZRNV-UHFFFAOYSA-N	234.259	-0.166	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)COC1CC1	910184713	RUXCELYFALJJRL-ZETCQYMHSA-N	202.254	-0.491	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)C(=O)N1	953006152	YXHMSVHCVFBKGG-QMMMGPOBSA-N	234.064	-0.720	50	10	BBGE	
Cc1c(C(=O)NNc2cnnn2C)nnn1C	1183572528	WBZLHOZZPIYDMK-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)Nc2nn[nH]n2)cn1	1293900980	RQKRIVFAJJEFGW-FARCUNLSSA-N	244.218	-0.521	50	10	BBGE	
CC(C)C(=O)NNC(=O)CCc1cn(C)nn1	1328086093	JXCPNKXUQXGAOD-UHFFFAOYSA-N	239.279	-0.449	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cccc(OC)n1	1630972581	NWKPHFCVUATBAP-UHFFFAOYSA-N	238.247	-0.407	50	10	BBGE	
C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccncn1	1635934569	ZHNKQXRPYQWBLJ-CAHLUQPWSA-N	237.219	-0.583	50	10	BBGE	
C=C[C@@](C)(O)CC(=O)NNC(=O)C(C)(C)O	1638762170	NQEPRFOHFXPFTA-SNVBAGLBSA-N	230.264	-0.768	50	10	BBGE	
Cc1ncncc1C(=O)NNC(=O)c1cc[nH]n1	1641298554	FCBKPPQGFWGXTD-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
O=C(CCCl)NCCN1CC[C@@H](O)C1	1866011250	BNABDOSHGCPBKB-MRVPVSSYSA-N	220.700	-0.202	50	10	BBGE	
COC[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	1875842782	FRPRRGVBNASDGW-KOLCDFICSA-N	249.075	-0.869	50	10	BBGE	
COC[C@H]1C[C@@H]1C(=O)NNC(N)=S	1882997942	RTURWBSJCARUHD-UHNVWZDZSA-N	203.267	-0.867	50	10	BBGE	
N=c1nc[nH]c(=NC[C@H]2C[C@H]2Br)[nH]1	1883529522	NTLQXYDTMNFCGQ-RFZPGFLSSA-N	244.096	-0.099	50	10	BBGE	
OC1CNC(=NC[C@H]2C[C@H]2Cl)NC1	1883554479	UUSXZLOHRNUAPN-IYSWYEEDSA-N	203.673	-0.477	50	10	BBGE	
CC1(NC(=O)C=CC(=O)Cl)CNC1	1883626601	IXKCGNSBBRZLFL-UHFFFAOYSA-N	202.641	-0.214	50	10	BBGE	
CC(=O)NNC(=O)CSCC(C)(C)O	1887195949	GYPVLMSAKWUTLY-UHFFFAOYSA-N	220.294	-0.342	50	10	BBGE	
Cc1c(CN)cc(B(O)O)c(C)c1CS	1887507947	PYKMOIAWMIVRNO-UHFFFAOYSA-N	225.122	-0.128	50	10	BBGE	
CNc1cc(B(O)O)c(C)c(C(=O)OC)c1	1887551625	CWMCLSRZJWMSLO-UHFFFAOYSA-N	223.037	-0.497	50	10	BBGE	
COC(=O)C1(O)CN(C[C@H]2C[C@H]2Cl)C1	1893099431	OWJMWADUJOKKCC-RNFRBKRXSA-N	219.668	-0.167	50	10	BBGE	
C[C@@H]1CNC(=O)CN1C(=O)[C@@H]1C[C@H]1Cl	1893475550	VMFLWPRIAYYEKM-FSDSQADBSA-N	216.668	-0.039	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@](C)(O)[C@H](O)C1	1894992938	ULTIUWZRSQJMGD-BHNWBGBOSA-N	221.684	-0.042	50	10	BBGE	
O=C(N1CCOC[C@H](F)C1)C1(B(O)O)CC1	1900107987	SHFKBXOPFGBWAL-SSDOTTSWSA-N	231.032	-0.810	50	10	BBGE	
CCCOCC(=O)N1CC[C@](C)(B(O)O)C1	1902517404	IKPCWOHTIYRBEH-JTQLQIEISA-N	229.085	-0.122	50	10	BBGE	
CSCCN(C)c1cc(B(O)O)c(F)cn1	1903009455	FMOJYVHNZAETIZ-UHFFFAOYSA-N	244.100	-0.300	50	10	BBGE	
O=C(NCB(O)O)C1(Br)CCC1	1923801598	IYXPRDBMXCIXGQ-UHFFFAOYSA-N	235.874	-0.568	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H]1C	1928179293	OJDIZGFOUHKURM-IUCAKERBSA-N	215.297	-0.419	50	10	BBGE	
C[C@H]1CC[C@H](C)N1CCOCC(=O)NN	1928180531	BWIHTQUHLFKTSW-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CNC(=O)[C@H]1[C@@H](C)CCN1C(=O)NN	1928670627	BAYAAEARDWPVTI-NTSWFWBYSA-N	200.242	-0.974	50	10	BBGE	
Cn1nccc1C=CC(=O)NNCCO	1929835323	QTJIPGZMZULZDF-UHFFFAOYSA-N	210.237	-0.954	50	10	BBGE	
CO[C@H](C(=O)NNCCO)C1CCCC1	1930470619	LVNRRZPFFQUIMW-VIFPVBQESA-N	216.281	-0.195	50	10	BBGE	
CS(=O)(=O)CC(=O)NC[C@H](Cl)CF	1930562421	PLGUNSXZXHXEDI-RXMQYKEDSA-N	231.676	-0.276	50	10	BBGE	
O=C(CBr)NC1(c2nn[nH]n2)CC1	1931223956	XIHYAQYDQDKJQV-UHFFFAOYSA-N	246.068	-0.300	50	10	BBGE	
C[C@@]1(CCl)CN(CCC(N)=O)C1=O	1931732889	AQCZVZPZRHJABF-MRVPVSSYSA-N	204.657	-0.051	50	10	BBGE	
C[C@@]1(Cn2ccc(B(O)O)n2)CCCO1	1932491976	GJSCMPGDMGAHSW-VIFPVBQESA-N	210.042	-0.868	50	10	BBGE	
NNC(=O)CN1CC[C@@H]([C@H]2CCCO2)C1	1932580866	AZPXTRFSBOUIBB-RKDXNWHRSA-N	213.281	-0.523	50	10	BBGE	
CC1(C)[C@H](CNC(=O)C(=O)NN)C1(F)F	1933035194	JWJVKMUYQJIDPD-BYPYZUCNSA-N	221.207	-0.616	50	10	BBGE	
CCN(C[C@@H]1C[C@@H]1C(=O)NN)C(C)(C)CO	1936079669	GFGOBFFLKUGFQF-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@H](O)C1CC1)C[C@@H]1C[C@@H]1C(=O)NN	1936079794	GUGWEVZUPQKNEL-GUBZILKMSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@H]1O	1936095525	XXCFIKBOIYIMOS-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
CC(C)(C)c1coc(CNC(=O)C(=O)NN)n1	1940227931	FAIJDJODIYTEKO-UHFFFAOYSA-N	240.263	-0.422	50	10	BBGE	
CC[C@]1(O)CCCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941086066	GTDWKLMDCRUJAD-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
CN1C[C@H]2CN(CC3(C(=O)NN)CC3)C[C@@H]2C1	1945882452	IGAHXTIHRIKAAY-UWVGGRQHSA-N	238.335	-0.750	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@@H](O)CCl	1954822843	VPQMNAARNUYRRY-ZETCQYMHSA-N	208.689	-0.394	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1C[C@@H]1CCl	1955090462	JEQJJDBKLKWZPO-RITPCOANSA-N	215.644	-0.583	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@H]1CO	1957828603	PUPMLFOUOXLVRD-OSMVPFSASA-N	211.217	-0.716	50	10	BBGE	
CC1(C)CC(=O)N1CCOCC(=O)NN	1958184579	NIMMNBCTEDGTBQ-UHFFFAOYSA-N	215.253	-0.996	50	10	BBGE	
CCOC(=O)Nc1ccc(B(O)O)cn1	1958189269	OAOSMZFYBSFEBT-UHFFFAOYSA-N	209.998	-0.670	50	10	BBGE	
C[C@@H](CN(C)Cc1cnco1)C(=O)NN	1959178766	ROYMGSXZBGZDAH-ZETCQYMHSA-N	212.253	-0.268	50	10	BBGE	
COC1CC2(C1)CN(CCC(=O)NN)C2	1959271329	ZFJALOGMMCHHQN-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
COC1([C@H](N)C(=O)NN(C)C)CCCC1	1961693488	YTLUGRMAUWHEDU-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)NN)C[C@H]1OC	1962378963	WWPRMJPHPIJMSO-RNLVFQAGSA-N	217.269	-0.401	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@]1(C)COC	1974738371	WWOWQHUGAOMWBS-PSASIEDQSA-N	215.297	-0.134	50	10	BBGE	
CCN(C1CCN(C)CC1)[C@@H](C)C(=O)NN	1976059141	GPQDMBWQNZGJQS-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CCc1noc(CN(C)[C@H](C)C(=O)NN)n1	1976746649	XBKXTDUFDRIVPO-ZCFIWIBFSA-N	227.268	-0.558	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H]1CN(C)C	1976931511	ISURUGIJCDLJGI-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)CN1CCO[C@H](c2nccs2)C1	1981109344	DPEFPHYEMZRQIN-ZETCQYMHSA-N	242.304	-0.494	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)c(C)n2)cn1	1981464536	DZVOFQDHXWQZKP-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
CCCN(c1nc(B(O)O)cs1)C1COC1	1981472832	UBLQWIKJOPMYJG-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC=CC[C@@H]1CO	1983180860	IKSWOJIWBFWYDE-SSDOTTSWSA-N	235.234	-0.766	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1csc(C(=O)NN)c1	1985745793	XBGZZVSNEWCODM-HTRCEHHLSA-N	241.316	-0.083	50	10	BBGE	
Cc1cc(O[C@@H]2CC2(F)F)ncc1B(O)O	1985885234	VTTFLZOVDZDWTE-SSDOTTSWSA-N	228.991	-0.144	50	10	BBGE	
C[C@@H]1[C@H](COc2ncc(B(O)O)cn2)[C@@H]1C	1985918045	ZUCCYVXGGIAFJS-SRSLHRDFSA-N	222.053	-0.563	50	10	BBGE	
CN(CCCC(=O)NN)[C@H]1CCOC[C@H]1F	1987226761	ZCFJPRNVBMEATB-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CCCN(OC)c1ncc(F)cc1B(O)O	1987999796	IXNOUJXZKIJYNZ-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
C[C@H]1C[C@H]1N(C)c1ncc(F)cc1B(O)O	1988005420	ZKNYJTJXHLDIMR-IMTBSYHQSA-N	224.044	-0.255	50	10	BBGE	
NC[C@]1(O)CCCN(C(=O)C=CC(=O)Cl)C1	1991650088	LGCBJKHXAKIYPM-SNVBAGLBSA-N	246.694	-0.380	50	10	BBGE	
CN(C[C@]1(O)CCOC1)C(=O)/C=C/C(=O)Cl	1991711894	AHPYUOOPOPNHAZ-VMZHVLLKSA-N	247.678	-0.082	50	10	BBGE	
CN1CC[C@@H](CNC(=O)/C=C/C(=O)Cl)C1=O	1991713486	UDILKXSIJFBYGS-AIYRYJHASA-N	244.678	-0.098	50	10	BBGE	
CCCCNC(=O)Nc1ncc(B(O)O)cn1	1996645032	DZHVHQLSXQWXLU-UHFFFAOYSA-N	238.056	-0.922	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2CO[C@@H](C)C2)n1	2004928749	GBMIORHKFUFWLK-XPUUQOCRSA-N	238.052	-0.979	50	10	BBGE	
OB(O)c1cccnc1OCCOCC1CC1	2004951274	LKVLUBDAQPKKDI-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(=O)NC[C@@H]1C(C)C	2010569252	LIMLFWXHUYATBQ-RKDXNWHRSA-N	242.323	-0.789	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](CO)CC1(C)C	2012366425	SFQRAYAXRTWBOI-SECBINFHSA-N	243.307	-0.754	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCC(F)(F)CO	2012631550	DFNQXMPQJQDORA-RNFRBKRXSA-N	249.213	-0.080	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CCC[C@H](C1)N2C	2014266057	QSXJQJYOHRNVNX-GARJFASQSA-N	240.351	-0.077	50	10	BBGE	
Cc1nn(C)c(C)c1CN(C)[C@H](C)C(=O)NN	2014383764	ZSPODIKSQLGWIK-SECBINFHSA-N	239.323	-0.153	50	10	BBGE	
COC[C@@H]1CCCCN1CC(=O)NNC(C)=O	2019208269	FUCONPPEUGPCAY-JTQLQIEISA-N	243.307	-0.345	50	10	BBGE	
CCOC[C@H]1CCN(CC(=O)NNC(C)=O)C1	2019215345	VIFCTGVDEDQTHO-JTQLQIEISA-N	243.307	-0.488	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NCC#CB(O)O)C[C@@H](C)O1	2021158915	KJDDMZQJTKXHHN-ILWJIGKKSA-N	239.080	-0.678	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]1[C@@H]2CO	2024085120	AOVVZSCNMCOBJJ-PRJMDXOYSA-N	249.261	-0.686	50	10	BBGE	
COCC(COC)CO[C@@H](C(=O)NN)C(C)C	2026060694	MKCKNVYXYOUZEI-SNVBAGLBSA-N	248.323	-0.074	50	10	BBGE	
COCC(COC)COC[C@@H]1C[C@@H]1C(=O)NN	2026063407	UDLGWOTUXPUKJG-UWVGGRQHSA-N	246.307	-0.462	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1C[C@@H]2C[C@H]2C1	2028427906	YOZVUZIYZBIXNV-YUMQZZPRSA-N	247.063	-0.755	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2nc[nH]c2c1	2076076889	SPGDZDBDRHCWRV-UHFFFAOYSA-N	245.047	-0.139	50	10	BBGE	
C#C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1	2079011783	JHFQUXICFJWYHC-GFCCVEGCSA-N	243.071	-0.492	50	10	BBGE	
OB(O)c1cccc(COCc2cccnn2)c1	2080318702	IRBNEYMXHHOOAK-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
CCOC(=O)c1c(F)cc(B(O)O)cc1F	2086909711	DRNYPMKEZOMSGZ-UHFFFAOYSA-N	229.975	-0.179	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](CCCO)C1	2210537555	YKCVHXLRPJPPCK-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
C#CCCCCOc1ccc(B(O)O)cn1	2212606487	VAOKXEHMYSWBEV-UHFFFAOYSA-N	219.049	-0.056	50	10	BBGE	
CC1(C#N)CN(c2ncccc2B(O)O)C1	2212609994	AODHPHGPMXKKGR-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
CCC1(Nc2ncc(B(O)O)cn2)CCC1	2212611554	BAUJWSZYUSBTOH-UHFFFAOYSA-N	221.069	-0.099	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1cncc(F)c1=O	2212634692	NFGCRAZBQYJCSO-PHDIDXHHSA-N	226.211	-0.992	50	10	BBGE	
Cc1ncnc(OC[C@]2(F)C[C@H]2C)c1B(O)O	2214487451	ARRHSBWNOPBXTH-LHLIQPBNSA-N	240.043	-0.408	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1C[C@H]2CC[C@H]1O2	2215198727	JHIGTCRTBSDGJH-ZYUZMQFOSA-N	243.307	-0.757	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2C[C@@H]2C1=O	2215771228	GYODUECDYUGSGK-KYXWUPHJSA-N	237.303	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C(CO)[C@@H]2C1	2215773464	SQJXCSYOQXQTPV-ZYUZMQFOSA-N	239.319	-0.827	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1(CCO)CC1	2215776163	LDMRYSSWZMAIHS-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(OC2CC(C)(N)C2)cc1B(O)O	2217168725	XKVIGZJFNPWUAK-UHFFFAOYSA-N	236.080	-0.672	50	10	BBGE	
CC1(C)NCC[C@H]1Nc1cc(B(O)O)ccn1	2217197785	QZNXSDYRUAMMKZ-SECBINFHSA-N	235.096	-0.686	50	10	BBGE	
CC#CC[C@H](N)COc1cc(B(O)O)c(C)cn1	2223622789	APVPLBOSTVIOAB-JTQLQIEISA-N	248.091	-0.811	50	10	BBGE	
C=C[C@]1(C)COCCN1c1cc(B(O)O)ccn1	2223643354	UZAISZDLIHKKCX-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](Nc1ccc(B(O)O)cn1)C2	2223643793	AJUKPDDFGLWFNL-MVWJERBFSA-N	248.091	-0.259	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCCO[C@H]21	2223669187	HBHCPJDZTZWHES-IQJOONFLSA-N	248.091	-0.402	50	10	BBGE	
CN1C(=O)[C@@H](F)C(=O)N(CCCl)C1=O	2241379611	NBCCQGBJCQFFSX-SCSAIBSYSA-N	222.603	-0.016	50	10	BBGE	
O=C(Nc1csnn1)C1(B(O)O)CC1	2241473469	KYLUXOUIPALUIO-UHFFFAOYSA-N	213.027	-0.516	50	10	BBGE	
NCC[C@@H](O)C(=O)NC[C@H]1C[C@@H]1Cl	2241999802	NCBYODLQCBWPIY-DSYKOEDSSA-N	206.673	-0.560	50	10	BBGE	
COC[C@H](C)Oc1cc(B(O)O)cnc1C	2242823963	SJAGULSIHFFZQY-ZETCQYMHSA-N	225.053	-0.516	50	10	BBGE	
CN(C(=O)Nc1ncc(B(O)O)s1)C1CC1	2243094150	YSPUDUDBGPONAK-UHFFFAOYSA-N	241.081	-0.551	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ncsc1B(O)O	2243358046	BDNTVPIULMZCAN-ZCFIWIBFSA-N	238.077	-0.729	50	10	BBGE	
O=C(Nc1cnoc1)c1ccsc1B(O)O	2243358858	LLJXQFVWOAUNCN-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CC(C)CN(CCN)C(=O)C1(B(O)O)CC1	2243366056	WUSZLAYFMRPYOA-UHFFFAOYSA-N	228.101	-0.563	50	10	BBGE	
CN(Cc1cnns1)C(=O)C1(B(O)O)CC1	2243366142	XXKTUFSKWUSWSY-UHFFFAOYSA-N	241.081	-0.497	50	10	BBGE	
CCOC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243395944	FBNPJVKRLMFVRW-ZKCHVHJHSA-N	227.069	-0.513	50	10	BBGE	
C#CCCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2243395987	FRVCZIKODNLFND-ZJUUUORDSA-N	221.065	-0.136	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@@H]1CF	2243397651	GQNFPPSQFVZMHL-ZCFIWIBFSA-N	243.068	-0.388	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@@H]1C(F)(F)F	2243399429	LYGFPLVEZVOOLF-NTSWFWBYSA-N	234.970	-0.541	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC12CCCCC2	2243400098	VVGYPMFOASPBMI-VIFPVBQESA-N	221.065	-0.159	50	10	BBGE	
C[C@H]1CCCC[C@@H]1CNC(=O)C#CB(O)O	2243401930	ZETTXHJVHUUTQD-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)C1CC(B(O)O)C1	2243404611	QWJXSFHKNQNBNW-UKRMECCQSA-N	227.069	-0.467	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@H](F)C1	2243410887	JRPLNNWHVDZHDN-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)NOC(C)C	2243413739	MOECIYBIIMGIFP-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
O=C(NCCc1ccoc1)[C@@H]1C[C@@H]1B(O)O	2243426241	FZTZQAFZRMQPLN-BDAKNGLRSA-N	223.037	-0.199	50	10	BBGE	
C[C@H](CC[S@](C)=O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243427076	PWUAQTWJLXKSKZ-MKIUOGOPSA-N	247.125	-0.877	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@H]2CC[C@H]1O2	2243669474	LXKINZQNXWVGQO-BIIVOSGPSA-N	227.264	-0.807	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)co1	2244205709	MPJUESQIIFWULF-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)C#CB(O)O)C(F)F	2244587572	LLIGRYGEZGYAJF-XPUUQOCRSA-N	233.023	-0.202	50	10	BBGE	
O=C(NCC1=CCCOC1)C1(B(O)O)CCC1	2247732826	JVINUMKAPKNAGY-UHFFFAOYSA-N	239.080	-0.154	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(B(O)O)o1	2247746580	AZBJQZLCNXMLAL-RNLVFQAGSA-N	235.048	-0.512	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1CCCOC1(C)C	2247747451	NPJGPNQMMWXOML-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2F)cc1B(O)O	2247760499	JAFUPXZFAMSUCQ-NXEZZACHSA-N	237.039	-0.485	50	10	BBGE	
CC[C@@]1(C)CCN1C(=O)c1c[nH]nc1B(O)O	2247785959	TUBAOXDFMBQIIC-JTQLQIEISA-N	237.068	-0.896	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787373	OHYQUNJHTGNFSG-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H]1C[C@H]1B(O)O	2247800517	PSKDRNVWPJHZOF-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1C	2247805945	LIZJEAFDDKZJEU-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247806531	FUKGTHFPZHVLGY-LPEHRKFASA-N	241.096	-0.267	50	10	BBGE	
CN(C(=O)C#CB(O)O)c1ccc(C#N)cc1	2247847820	BYWFLJKMDDSLDW-UHFFFAOYSA-N	228.016	-0.464	50	10	BBGE	
NCC1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247854817	ISENZDYQTOIBOX-HORUIINNSA-N	240.112	-0.517	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247855002	MASFHYQDMKVLFS-IUCAKERBSA-N	235.052	-0.736	50	10	BBGE	
CC1(C)CC[C@@H](CO)N1C(=O)C1(B(O)O)CC1	2247871673	FYCFATSQQJTTIO-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)c1cn[nH]c1	2247877707	JEELXQFELNZFDP-ZETCQYMHSA-N	237.068	-0.016	50	10	BBGE	
CN(C)[C@@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2247878984	QWDFBTWLKZPUBP-RKDXNWHRSA-N	240.112	-0.408	50	10	BBGE	
NCC12CC(CN1C(=O)C1CC(B(O)O)C1)C2	2247904975	SBOQTTSUUBDXLV-UHFFFAOYSA-N	238.096	-0.811	50	10	BBGE	
O=C(O)C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2248593001	IMXRDNUQCMSNCF-XAMCCFCMSA-N	241.052	-0.781	50	10	BBGE	
CON(CC(C)C)C(=O)c1cc(B(O)O)co1	2249407531	BMQOOIYZWCVNEO-UHFFFAOYSA-N	241.052	-0.381	50	10	BBGE	
O=C(NC[C@H]1C=CCC1)c1cocc1B(O)O	2249410973	PFXWXIDQZYCGCO-QMMMGPOBSA-N	235.048	-0.345	50	10	BBGE	
O=C(CC1C[C@H]2C[C@@H]2C1)NCCC#CB(O)O	2250004170	HLZZUCNQEGNXEB-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccncc1B(O)O	2255444741	ORDKIMKYPNYTHM-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)c[nH]2)CCCC1	2255461551	JTCMOGYPPKMZOJ-UHFFFAOYSA-N	248.091	-0.077	50	10	BBGE	
O=C(N[C@@H]1CC12CCCC2)c1cc(B(O)O)c[nH]1	2255463998	QAJPDMPRMRRJQE-SNVBAGLBSA-N	248.091	-0.243	50	10	BBGE	
CCCn1cncc1CN(C)C(=O)C#CB(O)O	2255475632	AJRXXLBJWFTAOH-UHFFFAOYSA-N	249.079	-0.733	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1cncc(B(O)O)c1	2255517758	FSACBZGTWAZJIG-KCJUWKMLSA-N	248.091	-0.368	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)N[C@@H]1[C@H]2CC[C@H]21	2255691457	DYIVXOPZDQHYHL-JZYVYDRUSA-N	248.091	-0.674	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C1CC1	2255720439	OAAFNLPBNBUCKC-UWVGGRQHSA-N	249.075	-0.204	50	10	BBGE	
C#CCCN(C)C(=O)c1nccc(C)c1B(O)O	2255783439	CJCMBRLZBMIDLD-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1O)N1CC[C@@H]2C[C@@H]21	2255954087	SLLGWSBSJFXQGP-XCBNKYQSSA-N	247.059	-0.694	50	10	BBGE	
CC[C@@]12C[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2258127069	YDZNVMUVJHJQFE-UFBFGSQYSA-N	249.075	-0.169	50	10	BBGE	
Cn1ccc(CNC(=O)c2cocc2B(O)O)c1	2258131115	QHUDSOOOGFHBTQ-UHFFFAOYSA-N	248.047	-0.772	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1CC2(CC2)C1	2258140760	FQPKSDYBPVXPHC-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
C[C@H]1CNC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368886	BBAJJYOCYYBAAL-QEYWKRMJSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298369771	FEVVXKFJWAWXRO-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	2298374598	CECWLGVDXYASPK-KZFLBEFCSA-N	233.076	-0.447	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298376788	OMNVAPWIMPVVBR-RGOKHQFPSA-N	241.096	-0.389	50	10	BBGE	
CN1CCC[C@H]2CCN(CCC(=O)NN)C[C@@H]21	2299137369	PRTZNBIDDCUZAP-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
CN(CCC[C@H]1C[C@@H]1C(=O)NN)CCC(N)=O	2300398539	BNSCJPLIBTUGOA-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
COC[C@@H](OC[C@H]1COCC1(C)C)C(=O)NN	2301157727	QPHZJANIWPKMFS-RKDXNWHRSA-N	246.307	-0.320	50	10	BBGE	
C[C@@H](CN)CNc1ccc(B(O)O)cc1C#N	2301341396	OPWWAZMVEOREEP-QMMMGPOBSA-N	233.080	-0.755	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1C[C@@H](O)C1	2301341759	SLYWTIPFRJHJIQ-AOOOYVTPSA-N	232.048	-0.827	50	10	BBGE	
C[C@H](CN)CNc1ccc(C=O)c(B(O)O)c1	2301420531	HNSFNBNGBRQAEZ-MRVPVSSYSA-N	236.080	-0.814	50	10	BBGE	
C#C[C@H](C)N(C)c1ccc(C=O)c(B(O)O)c1	2301453112	QIHHQXVEMPAZRY-VIFPVBQESA-N	231.060	-0.363	50	10	BBGE	
C[C@@H](NC(=O)N[C@@H](CB(O)O)C(=O)O)C1CC1	2301654106	NNRQMIPQCMKYKO-VDTYLAMSSA-N	244.056	-0.990	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H](C(N)=O)C1)C(=O)NN	2303410747	PDMDZVMVGASQGO-KWQFWETISA-N	242.323	-0.800	50	10	BBGE	
CC[C@@H](COC)Oc1cc(B(O)O)c(F)cn1	2303853021	QSXHKZGGZPIXQJ-ZETCQYMHSA-N	243.043	-0.296	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@H]1[C@H](O)C2)C(=O)NN	2306282674	FJODWFVQJAADDM-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](N)CCCNc1ccc(B(O)O)cc1C#N	2317163044	VNWTWBKAQOFCFU-SECBINFHSA-N	247.107	-0.223	50	10	BBGE	
CC(C)[C@@H](CN)Nc1ccc(B(O)O)cc1C#N	2317167908	NMPJQNQNQBPFFL-GFCCVEGCSA-N	247.107	-0.367	50	10	BBGE	
CC1CCN(C(=O)COCC(=O)NN)CC1	58855732	RQKAOXLPODQREA-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CCNC(=O)CN(C)CCCCCC(=O)NN	71292020	JMACXBKFXPOWJL-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1CCN(C)C1	82468768	SRIIKHAHTIATKE-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nnc(N)s1	82472898	YQLSUSQSDFKWER-GSVOUGTGSA-N	233.322	-0.019	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	93072163	ULWLDNUQUTUHHV-BDAKNGLRSA-N	244.339	-0.543	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1cc[nH]c1	109255297	KFOGKZBNHNASRJ-MRVPVSSYSA-N	223.232	-0.045	50	10	BBGE	
Cc1cccc(=O)n1Cc1cc(C(=O)NN)no1	110601085	YTZGWFSWSLONHE-UHFFFAOYSA-N	248.242	-0.203	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCS(=O)CC1	211962412	XNZGJKATCYRMRZ-QMMMGPOBSA-N	233.337	-0.791	50	10	BBGE	
[C-]#[N+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1	216709015	UTVPYVVOMOIHMB-QMMMGPOBSA-N	230.289	-0.059	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)OC(C)(C)C1	228983559	MIRRLNZBFISASY-DTWKUNHWSA-N	245.323	-0.773	50	10	BBGE	
CCNC(=O)[C@H](C)NS(=O)(=O)CCCl	232295141	UVXWJPAHQCBCTF-LURJTMIESA-N	242.728	-0.331	50	10	BBGE	
C[C@]1(O)CCN(CCCCC(=O)NN)C1	235713603	MJAOYGLIZBZONE-JTQLQIEISA-N	215.297	-0.397	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)CC[C@H]1O	253194646	PNNBWNWPBOETQI-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CC(C)[C@@H]1OC[C@@H](O)/C1=N/NC(N)=O	306285362	UHZIUUZNHUYJNN-AOWVBGLXSA-N	201.226	-0.574	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(F)(F)C1	307511023	BZCJPCDKDQZWJL-UHFFFAOYSA-N	207.180	-0.862	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CCl)C1	308596038	YQWHKCXLZKKLNF-NKWVEPMBSA-N	243.712	-0.406	50	10	BBGE	
CC[C@](C)(NC(=O)NC(=O)CCl)C(N)=O	308871489	SKIPMVSVAVBSQX-QMMMGPOBSA-N	235.671	-0.295	50	10	BBGE	
CC(C)(C)OC(=O)C[C@H](N)C=NNC(N)=O	309225548	SYDQNOWIHWGBBF-LURJTMIESA-N	230.268	-0.300	50	10	BBGE	
Cc1ccc(CN(C)[C@H]2CCOC2)cc1B(O)O	313750778	LDHLQVNPMGPSQA-LBPRGKRZSA-N	249.119	-0.104	50	10	BBGE	
Cc1c/c(=N\NC(N)=O)c(C)cnc1O	379701727	RSFSCYAFNGFTNI-KPKJPENVSA-N	208.221	-0.112	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H](N2CCCC2)C1	382620554	YSDGMXSUVRESRJ-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CCN(C[C@H](C)OC)[C@@H](COC)C(=O)NN	383059348	HTJHZQLUZFAXRG-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CN(CCCCO)Cc1cc(C(=O)NN)no1	384824156	PVQLDNOXFGXLCJ-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
CO[C@H](C)CN(C)[C@@H](C)CC(=O)NN	389344734	ZKZRAOFXSPMSQO-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
O=C(CCl)Cc1c(O)cccc1B(O)O	396022419	MMKUISNVHWWUEQ-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
O=Cc1cc2c(CO)cc(B(O)O)cc2s1	396335172	JXFHMIDYLHFGAZ-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CCC[C@H](O)[C@H](N)c1ccc(B(O)O)cc1F	396466201	SYOYAAJCSVMGIU-WDEREUQCSA-N	241.071	-0.334	50	10	BBGE	
N=C1NCNN2CC[C@H](Br)[C@H]12	605644614	TWBRWZUYUVFXOT-CRCLSJGQSA-N	219.086	-0.133	50	10	BBGE	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NNC(N)=S	686472208	KLIBIPYHEKDYRC-SRQIZXRXSA-N	217.294	-0.336	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H](COC)OC	691284979	FPVZNYRQBSRGON-DTWKUNHWSA-N	233.312	-0.652	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H](COC)OC	691284980	FPVZNYRQBSRGON-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
CC(=O)N(C)CC(=O)N1CCC(O)(C#N)CC1	692111846	GQAMWDLFBIVQEU-UHFFFAOYSA-N	239.275	-0.658	50	10	BBGE	
CCN(CC1CN(C)C1)[C@H](C)[C@H](C)C(=O)NN	692729225	XIHOLCWDXPHUAC-VHSXEESVSA-N	242.367	-0.116	50	10	BBGE	
N#Cc1cccc(Cn2cc(B(O)O)cn2)c1	694499081	CQRNKOKWWFDBIC-UHFFFAOYSA-N	227.032	-0.517	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CCCO	695080070	VIMALIDQZHIDDK-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CCc1noc(C)c1C(=O)NCB(O)O	701930448	AICXMNZPQVAYFM-UHFFFAOYSA-N	212.014	-0.713	50	10	BBGE	
NNC(=O)C(=O)NCCc1cccc(Cl)c1	702858845	JYDUOCIHSXBNRE-UHFFFAOYSA-N	241.678	-0.011	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC2(CCCO2)C1	702937594	DROKKSXHWHRCLO-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CCC(=O)NN	706193711	DQRRBCHJTLSAQX-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
CN1C[C@H]2CN(CCCC(=O)NN)C[C@@H]2C1	706978215	HJMIBAYFGAJXSE-UWVGGRQHSA-N	226.324	-0.750	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1	718259313	LJSSFOXLHWHLDZ-SOYHJAILSA-N	225.292	-0.526	50	10	BBGE	
Cn1nc(C(=O)N2CCC(O)(C#N)CC2)cc1N	725162880	KKWBHKRZSPOBMZ-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CN(C)CC(=O)NN=Cc1nccn1C	727648196	XULHRZULEIHYLJ-UHFFFAOYSA-N	209.253	-0.568	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	780469567	BLTWYZRAVNCKHS-QNSHHTMESA-N	241.291	-0.880	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCS1	823789785	MUZJXYVWIJXZEE-GJMOJQLCSA-N	244.316	-0.200	50	10	BBGE	
CCNC(=O)NN=Cc1cnc(N)nc1N	842524439	DLNKUZFWDYRTFP-UHFFFAOYSA-N	223.240	-0.706	50	10	BBGE	
COCCN(C)NC(=O)[C@@H]1[C@H]2COC[C@H]21	854412320	GGQOPIHAGPBWDT-BRPSZJMVSA-N	214.265	-0.512	50	10	BBGE	
O=C(NNC(=O)C12CC(C1)C2)[C@H]1COCCO1	859768175	IYGYDBZTLZRESO-JKDSDDBFSA-N	240.259	-0.651	50	10	BBGE	
CCC(Cc1cccc(B(O)O)c1)=NC=O	1088207820	ZHBTXRPWKVNRMY-UHFFFAOYSA-N	219.049	-0.084	50	10	BBGE	
CSCC[C@H](O)C(=O)NNC(=O)NC1CC1	1136412293	VQXCJJNFTRBPRM-ZETCQYMHSA-N	247.320	-0.407	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1332147813	IHOLEYWDAGYEQH-IWSPIJDZSA-N	238.291	-0.143	50	10	BBGE	
CCO[C@H](C(=O)NNC(=O)NC)[C@@H]1CCOC1	1351758164	VIIFYCUZRXBNAN-SFYZADRCSA-N	245.279	-0.612	50	10	BBGE	
Cn1nnc(C(=O)NNc2ccc(C#N)cc2)n1	1446467395	RKCUIGNEKIQHMZ-UHFFFAOYSA-N	243.230	-0.161	50	10	BBGE	
O=C(NNc1nc[nH]n1)[C@]1(F)CCOC1	1457835692	KGHAGDSICYHETR-ZETCQYMHSA-N	215.188	-0.624	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@H](C)CC(N)=O	1463687190	PJBJFHMIHOVQHO-ZCFIWIBFSA-N	246.336	-0.598	50	10	BBGE	
CCO/C=C/C(=O)NNC(=O)c1ncccn1	1570440779	QPGLBEPLOXVXDF-QPJJXVBHSA-N	236.231	-0.212	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cnccc1C#N	1616526081	BISVHYPERJRPJG-UHFFFAOYSA-N	248.242	-0.515	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCc1nc[nH]n1	1631398561	JWYUMQWKBYCNTB-UHFFFAOYSA-N	226.240	-0.960	50	10	BBGE	
CCN(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-]	1640011142	NIPXXPHDDIDBBJ-UHFFFAOYSA-N	243.223	-0.723	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1CC12CCSCC2	1650909732	MGZVAISXXWQNET-SSDOTTSWSA-N	244.316	-0.341	50	10	BBGE	
CC[C@H](C(F)F)N(C)C(=O)C(=O)NN	1885178243	FCWMLFUQMZNSEL-SCSAIBSYSA-N	209.196	-0.522	50	10	BBGE	
CO[C@H](C)CCN(C)[C@@H](C)C(=O)NN	1885397469	LYWXOOQAUYDNPA-SFYZADRCSA-N	203.286	-0.278	50	10	BBGE	
Cn1nncc1S(=O)(=O)NOCCCl	1888307364	AWTSDCLLTBLQOX-UHFFFAOYSA-N	240.672	-0.736	50	10	BBGE	
CN(CCN)CC(=O)NC[C@H]1C[C@H]1Cl	1893108407	SEDJSFIPSSRRLG-HTQZYQBOSA-N	219.716	-0.380	50	10	BBGE	
NC(=O)[C@H]1CCN1C(=O)/C=C/C(=O)Cl	1893497199	DAJHAVIYSNWVSG-INIHDHCDSA-N	216.624	-0.606	50	10	BBGE	
CN(C[C@@H]1COC2(CCC2)CO1)C(=O)NN	1900867490	XOYAIRWKSBSSEN-MRVPVSSYSA-N	229.280	-0.160	50	10	BBGE	
C#CC[C@H](C(=O)NN(C)S(C)(=O)=O)C1CC1	1901344188	MVFBEDWSXNTQTK-VIFPVBQESA-N	244.316	-0.042	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CCCCN1	1901368013	FOTKBDVDRLNZMU-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
CC[C@@H]1C[C@@]1(N)C(=O)NN(C)S(=O)(=O)CC	1901378249	YKLKBNFKOYSNBC-APPZFPTMSA-N	249.336	-0.574	50	10	BBGE	
CC[C@@](C)(CN1CC[C@](C)(O)C1)C(=O)NN	1902716575	UONZGIYMSOQQFE-QWRGUYRKSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	1904371310	UFAIRRJPHKLCTN-AATLWQCWSA-N	227.308	-0.400	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccsc1B(O)O	1904906347	HBHHTCOLYIYJLV-IZLXSQMJSA-N	243.068	-0.342	50	10	BBGE	
CO[C@@H]1CCN(c2ccncc2B(O)O)[C@H]1C	1908482455	TXBMWFNJVWFTOA-GZMMTYOYSA-N	236.080	-0.625	50	10	BBGE	
CS(C)(=O)=NCc1ccc(F)c(B(O)O)c1	1913503277	BICBMKVQJVGBFR-UHFFFAOYSA-N	245.084	-0.267	50	10	BBGE	
NNC(=O)CCCN=S1(=O)CCOCC1	1913857494	VPSYGAQWDMPTRP-UHFFFAOYSA-N	235.309	-0.745	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)co1	1914263635	YVMZWCRAIGRSLV-GMSGAONNSA-N	239.275	-0.162	50	10	BBGE	
COC(=O)CCC(=O)NNC(=O)C(F)(F)F	1923412536	YQPOPUVVYHYNOP-UHFFFAOYSA-N	242.153	-0.351	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@@H](Cl)CCO1	1933453103	FWWRICNKZLZIIK-NKWVEPMBSA-N	231.687	-0.170	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC[C@H]1CCCO1	1935342832	CLEKCWJNAWHAAU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCn1nnnc1SC[C@H]1C[C@H]1C(=O)NN	1936094739	PNTPQMHRHORHKU-PHDIDXHHSA-N	242.308	-0.589	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CSc1nccnc1N	1936095342	WGBMYDGGUNUDHE-WDSKDSINSA-N	239.304	-0.223	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2COCC[C@@H]21	1936283257	GAYIVSPTBAYNND-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)c1cc(CN2CC3CC2C3)on1	1938563296	FYGXOLBOGLAKCH-UHFFFAOYSA-N	222.248	-0.128	50	10	BBGE	
CCNC(=O)NCc1scc(C)c1B(O)O	1939864651	PUUKSRMCRCQGKX-UHFFFAOYSA-N	242.109	-0.445	50	10	BBGE	
NNC(=O)CN1CCOC[C@H]1C1CCOCC1	1943987292	SCKLMGMWJYNCEX-JTQLQIEISA-N	243.307	-0.896	50	10	BBGE	
CN1CCN(CCOCC(=O)NN)C(C)(C)C1	1945280803	PJLFWSFIFJJAIP-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
NNC(=O)CCN1CCC2(CCC2)[C@H](CO)C1	1946316068	NRRUDYMSLDMURW-JTQLQIEISA-N	241.335	-0.149	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@]12CC[C@@H]1C2	1951279244	CNKCVXOOHBCIAF-RDDDGLTNSA-N	232.048	-0.500	50	10	BBGE	
CN(C[C@@H](O)CCl)[C@H]1CCCNC1=O	1956861793	KNZISCORYVGQIC-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@]12CC2(F)F	1956902310	AMITVCWOSDGGPN-CVYQJGLWSA-N	221.232	-0.104	50	10	BBGE	
N#C[C@H](Cl)CN1CCC(O)(CN)CC1	1957255540	GTTAZTBUBAYYJU-QMMMGPOBSA-N	217.700	-0.097	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@@H](O)C[C@@H]1CO	1957318047	LJGHCYLQCLMHCR-RNJXMRFFSA-N	221.684	-0.042	50	10	BBGE	
C=C1C[C@H]1Cn1nc(C)c(B(O)O)c1C	1958246639	JQYFUDFAIHINNP-VIFPVBQESA-N	206.054	-0.244	50	10	BBGE	
COC[C@@]1([C@@H](N)[C@@H](O)C#N)CCCCO1	1959169701	OJNIHHNSZTZPQG-LPEHRKFASA-N	214.265	-0.216	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC(C)(C)F	1960452261	MUUHYMYQWFRGGB-ZETCQYMHSA-N	221.276	-0.329	50	10	BBGE	
CCN(C)C1CN(C[C@@H](C)C(=O)NN)C1	1961180541	LTWGLZPJBOFOER-MRVPVSSYSA-N	214.313	-0.752	50	10	BBGE	
CCN(c1ccncc1B(O)O)C(C)C	1961696557	QZLPCDYWEQFDLH-UHFFFAOYSA-N	208.070	-0.004	50	10	BBGE	
NNC(=O)c1sncc1CN1CCCO1	1961920358	YFJPWXWFEMCMKQ-UHFFFAOYSA-N	228.277	-0.116	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC2(CNC(=O)N2C)C1	1974909599	TVNLPCHAYMSJHA-ZCFIWIBFSA-N	231.683	-0.150	50	10	BBGE	
Cc1noc(CN(C)CCCC(=O)NN)n1	1976742421	ZYPRMLZIWJYFCJ-UHFFFAOYSA-N	227.268	-0.420	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@H]1C[C@@H]1C(=O)NN	1977878857	QYHINDPPTJLZKN-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC=C[C@@H](O)C1	1978919924	OPAPEOOZTARDPV-BDAKNGLRSA-N	227.308	-0.376	50	10	BBGE	
N#CC1=CCN(C(=O)CN2CC(N)C2)CC1	1980574591	MSDDRNVYCXACIF-UHFFFAOYSA-N	220.276	-0.688	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC(F)(CO)C1	1981511854	GOMCFSPAQAHZMH-SSDOTTSWSA-N	233.287	-0.593	50	10	BBGE	
CC[S@](=O)NCCc1ccc(B(O)O)cc1	1984065564	UGKOMMNQUUUQLB-INIZCTEOSA-N	241.121	-0.818	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCOC[C@H]1CCO	1991706274	NXADXELCPUSERG-FHKCNRDCSA-N	247.678	-0.082	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)cn1	1992146967	XXFVVPUAJBJQDY-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
COCC(COC)CN1CC(=O)OC(=O)C1	1992693310	OVQCZQXMLRTBNH-UHFFFAOYSA-N	231.248	-0.719	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(CCO)CCC1	1994893114	RJYOHGUWSAQVNJ-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](O)CN(C[C@@H](C)O)[C@H](C)CCC(=O)NN	1997351279	KPOPDWKVVPLNLG-BBBLOLIVSA-N	247.339	-0.791	50	10	BBGE	
CC(C)C[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1998133359	PWNKLGMGKFMADA-JGVFFNPUSA-N	245.084	-0.289	50	10	BBGE	
Cc1occc1C(=O)N[C@@H](CB(O)O)C(=O)O	1998136380	AGDAOUPZNLFAIM-ZETCQYMHSA-N	241.008	-0.756	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999846796	KDWXBTYFDUOLBC-RCWTZXSCSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1cnn(CC2C[C@H]3[C@H](C2)C3(F)F)c1	2000410478	HVPGWUVAKNYSCQ-IUCAKERBSA-N	242.034	-0.146	50	10	BBGE	
NNC(=O)CCCN1[C@H](CO)C[C@@H]2CCC[C@H]21	2000718008	TXPTZGRCWQTFGL-GARJFASQSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)CC[C@H]1CO	2000984197	NUHLNZATGYTLBC-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
COC1(CN(C)C(=O)C(=O)NN)CCCCC1	2001494636	MIHVVXRETQUHCA-UHFFFAOYSA-N	243.307	-0.216	50	10	BBGE	
NNC(=O)c1coc(CN2CC(F)(CO)C2)c1	2005080679	YTMOTASRSNIBOP-UHFFFAOYSA-N	243.238	-0.601	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(=O)NCC1(C)C	2006926127	SRSIQRLHYAUYAG-MRVPVSSYSA-N	242.323	-0.645	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C(=O)O	2007196974	IAQUKCLPLKKFKI-XPUUQOCRSA-N	243.263	-0.909	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1CCO[C@@H]1C	2008385920	JFKKABUCKDEHTK-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
C[C@@]1(Cn2cc(B(O)O)ccc2=O)CC1(F)F	2008840131	HWLUZEWDEAEYBM-VIFPVBQESA-N	243.018	-0.427	50	10	BBGE	
Cc1cc(CN(C)[C@H](C)CC(=O)NN)nn1C	2011840836	VPTZFCMLDIGGIX-MRVPVSSYSA-N	239.323	-0.071	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CCC(=O)NC1	2012015875	NSMCZAJQYJNALW-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CCOC[C@@H]1F	2013731737	SWLJSNDNOODNII-DTWKUNHWSA-N	249.286	-0.948	50	10	BBGE	
CN(CC12CC(CO1)C2)CC(F)(F)C(=O)NN	2017761066	SUFKLAYBBNLMCT-UHFFFAOYSA-N	249.261	-0.278	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NNC(C)=O)CCN1C	2019210215	MEOKIDHEUXHVQI-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1CCC[C@H]2C[C@H]21	2026060584	MEORMUDGZQFMCR-QXFUBDJGSA-N	234.064	-0.276	50	10	BBGE	
CCOc1c(B(O)O)ccc([N+](=O)[O-])c1OC	2060016787	GZPSOAOFTPHHJA-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCOc1cc(B(O)O)c(C)cc1[N+](=O)[O-]	2060031834	CKJOOYGXWHNIQV-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
N#Cc1c(Cl)ccc([N+](=O)[O-])c1B(O)O	2060106407	YIIJKYWZUNSSSL-UHFFFAOYSA-N	226.384	-0.200	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1C[C@@H]2CC[C@@H]2C1	2070102375	QYHXEVZJZNRYIF-JZYVYDRUSA-N	247.107	-0.219	50	10	BBGE	
CN(CCC(=O)NN)C[C@]12COC[C@H](C1)C2	2211557841	NYUOTMGURPNSJC-JGZJWPJOSA-N	227.308	-0.275	50	10	BBGE	
CN1CC(N(C)CC2(C(=O)NN)CCC2)C1	2212263100	SHLIUVVBMOHVPG-UHFFFAOYSA-N	226.324	-0.608	50	10	BBGE	
CC(C)(CCO)Nc1ncccc1B(O)O	2212601072	IGJPQRZRCKDTHB-UHFFFAOYSA-N	224.069	-0.666	50	10	BBGE	
Cc1cnc(O[C@H](C)CCN)cc1B(O)O	2212601951	WKUJWIWCBOCGHY-MRVPVSSYSA-N	224.069	-0.814	50	10	BBGE	
C#CC[C@@H](CC)Nc1ccc(B(O)O)cn1	2212611770	CXSKESKBMVWOLP-SNVBAGLBSA-N	218.065	-0.025	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@H]2C3)c1	2212614680	GHVOECXMQYKMES-UWVGGRQHSA-N	218.065	-0.107	50	10	BBGE	
C#CCCN(CC)c1ccc(B(O)O)cn1	2212615936	WWZZIFANBXGTBM-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
CCO[C@@H]1C[C@@H]2CN(C[C@@H](C)C(=O)NN)C[C@H]21	2213697636	WEVVPUYOAQJXOY-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)CCC12CC2	2214781681	YUJNLNYSTPOYAL-LPEHRKFASA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2CC[C@H]2C1=O	2215775147	GDCYJODMRJMQHE-ZYUZMQFOSA-N	237.303	-0.129	50	10	BBGE	
COCCC1CN(C[C@H]2CC[C@@H]2C(=O)NN)C1	2215776841	PCNUMMRBRGNCMV-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C=C[C@H]2C3)CCC1	2216529727	GRAYZPRUZMRNIZ-IUCAKERBSA-N	235.287	-0.067	50	10	BBGE	
COC1CN(CC2(C(=O)NN)CCOCC2)C1	2216871695	PIPBUVAWRZWYPA-UHFFFAOYSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2ccc(B(O)O)cn2)CCN1	2217172855	NENODUWNZMEPJL-SCZZXKLOSA-N	235.096	-0.686	50	10	BBGE	
CC12CC(Nc3ncccc3B(O)O)(CO1)C2	2217174890	ABVJRKCFWJQPAP-UHFFFAOYSA-N	234.064	-0.505	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H]3CC=CC[C@@H]32)nc1	2217181377	OXEUHRPIGZRFIA-ONGXEEELSA-N	230.076	-0.084	50	10	BBGE	
Cc1cnc(NC2CCOCC2)cc1B(O)O	2217182281	BOBGPZPHSXQHEB-UHFFFAOYSA-N	236.080	-0.339	50	10	BBGE	
NCC[C@H](Oc1cc(B(O)O)ccn1)C1CC1	2217190004	AXTIWOCBTZRHOC-JTQLQIEISA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1CCC[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217202660	YKLSCYWZNOXMTJ-IUCAKERBSA-N	235.096	-0.574	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCCCNC1	2223635638	ZUENEPMWOVEUOC-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
Cc1cnc(N2CCNC[C@H](C)C2)cc1B(O)O	2223645794	ZCYVPNWXAPZGBK-VIFPVBQESA-N	249.123	-0.884	50	10	BBGE	
C[C@](N)(CNc1cc(B(O)O)ccn1)C1CCC1	2223669016	FERMHKPVEAFGIN-LBPRGKRZSA-N	249.123	-0.309	50	10	BBGE	
C[C@@H]1C[C@@H](CNc2cc(B(O)O)ccn2)CN1C	2223669175	GYQFZHUDURQIFE-ZJUUUORDSA-N	249.123	-0.487	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1cncn1C	2223678563	DIGXSDNJCBHYJW-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSCC1COC1	2241878694	MCGTUYIMYLSODB-HTQZYQBOSA-N	216.306	-0.008	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1ccncc1	2243356873	OAAFVIJBMRYVFU-MRVPVSSYSA-N	218.021	-0.726	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1C(=O)C#CB(O)O	2243362072	LOQMJYIZAHLHFR-BDAKNGLRSA-N	225.053	-0.972	50	10	BBGE	
CC1=CCN(C(=O)c2occc2B(O)O)C1	2243363574	JAKOHADSBHICFQ-UHFFFAOYSA-N	221.021	-0.639	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2F)sc1B(O)O	2243373940	BJBNDHHUKWLBHT-RITPCOANSA-N	243.068	-0.423	50	10	BBGE	
CCNCCN(C)C(=O)C1CC(B(O)O)C1	2243392111	RHNZZECBJYPPBJ-UHFFFAOYSA-N	228.101	-0.693	50	10	BBGE	
CN(Cc1ccon1)C(=O)[C@H]1C[C@H]1B(O)O	2243404872	VVDCTTXFIOMKEL-JGVFFNPUSA-N	224.025	-0.504	50	10	BBGE	
C[C@@H]1C[C@@H](CN)CN1C(=O)C1(B(O)O)CC1	2243408337	LJVLHVHNBNLLNF-SFYZADRCSA-N	226.085	-0.811	50	10	BBGE	
CN[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2243411055	NBGDEFNIQDOSQE-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
CC(C)N(C[C@H](C)O)C(=O)C1(B(O)O)CC1	2243411576	WLTRTTTUYZTRHM-QMMMGPOBSA-N	229.085	-0.389	50	10	BBGE	
CC1=C[C@@H](NC(=O)c2ccoc2B(O)O)CC1	2247737288	FMTSYAGEWNVEGE-QMMMGPOBSA-N	235.048	-0.202	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccoc2B(O)O)[C@@H]1C	2247743209	AOJRTYVLYUBBEC-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
C[C@@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@@H]1C	2247747996	WFQSIAMHSVFLFJ-OCAPTIKFSA-N	236.080	-0.578	50	10	BBGE	
C[C@H]1CCN(C(=O)c2cncc(B(O)O)c2)C1	2247772513	VVUURQAEMXWAGE-QMMMGPOBSA-N	234.064	-0.757	50	10	BBGE	
Cc1[nH]nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)c1C	2247807622	RHHCHALHGMMNCN-YUMQZZPRSA-N	237.068	-0.494	50	10	BBGE	
CC(C)[C@@H](O)[C@@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247809573	ZROOWVQVZHRSJB-ZYUZMQFOSA-N	243.112	-0.239	50	10	BBGE	
CN(CC1(C)CC(F)(F)C1)C(=O)C#CB(O)O	2247847599	ZJYFOHISHQNLSP-UHFFFAOYSA-N	245.034	-0.104	50	10	BBGE	
C[C@H](F)CNC(=O)c1cccc(F)c1B(O)O	2247870701	OKGDBSOENILRSE-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H]2C[C@H]21	2247879413	UUIKWLGFZWKDJK-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)C2CC(B(O)O)C2)CO1	2247892109	UHSNUSPMFRKQMD-XHHQTKHESA-N	241.096	-0.219	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)oc1B(O)O	2247892227	WMRBJVIRHZJAMD-POYBYMJQSA-N	237.064	-0.204	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H]1O)C1CC(B(O)O)C1	2247893085	MALJOPLIJQBCBX-WOOKNIGNSA-N	241.096	-0.483	50	10	BBGE	
O=C(NCCc1cocn1)[C@H]1C[C@@H](B(O)O)C1	2247905736	VWZULKBALWQTRR-OCAPTIKFSA-N	238.052	-0.414	50	10	BBGE	
CO[C@@H]1C=C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247908922	BUXYXSJXWWNDIM-UTINFBMNSA-N	239.080	-0.301	50	10	BBGE	
O=C(O)C1CC(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2248568983	OREQDSXJDGYNKB-DWYQZRHDSA-N	241.052	-0.924	50	10	BBGE	
CC[C@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2249427777	LDDUHGQDNNKLEB-LURJTMIESA-N	247.006	-0.267	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)c1cnn(C2CC2)c1	2255476461	LOSUGEKGTIRZIP-MRVPVSSYSA-N	247.063	-0.589	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1C1CC1)c1occc1B(O)O	2255479956	VKZJTNUAYZRUPZ-RKDXNWHRSA-N	249.075	-0.265	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC3CC2C3)n1	2255483503	DFFMPPWDUQRTSV-UHFFFAOYSA-N	246.075	-0.696	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cccc(B(O)O)c1C	2255498408	QXEGUYKZQSTGCP-MRVPVSSYSA-N	249.075	-0.089	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CC=CCCC1	2255522600	LVOOPNKSTZYJIX-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C=CC[C@@H]1CCN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255554819	ROPWCHBSUIGUJR-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
C[C@@H](NC(=O)c1ncccc1B(O)O)C1(C)CC1	2255691690	HAXVYFLYLUHLEC-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
NC[C@]12C[C@@H]1CN(Cc1cccc(B(O)O)c1)C2	2259938042	GNHRMQWAGCHIDE-YPMHNXCESA-N	246.119	-0.853	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)C1=O	2297013026	HJXUMBNPTOAHLD-LURJTMIESA-N	200.242	-0.878	50	10	BBGE	
O=C(N[C@@H]1C[C@@H](CO)[C@H]2C[C@H]21)C1(B(O)O)CC1	2298367990	GVYJEOPKZQEOTD-JQCXWYLXSA-N	239.080	-0.874	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@@H]1[C@H](CO)C2	2298370003	LFMUTUAWSZJEAN-RXKWGBCNSA-N	239.080	-0.779	50	10	BBGE	
C[C@H](O)[C@@H](C)Nc1ccc(C=O)c(B(O)O)c1	2301450899	KIQKOVZCQODWLH-SFYZADRCSA-N	237.064	-0.640	50	10	BBGE	
C[C@@H](CCCC(=O)NN)n1ccc(C(N)=O)n1	2302045568	UVMOFIGOMCLTGP-ZETCQYMHSA-N	239.279	-0.297	50	10	BBGE	
CC[C@@](C)(COCC(=O)NNC(C)=O)C(=O)O	2303420407	VMEAKMCPBUAGPQ-JTQLQIEISA-N	246.263	-0.329	50	10	BBGE	
CC[C@@](C)(Cn1cc(C)cnc1=O)C(=O)NN	2303432743	VYUYZDPMLYTUND-NSHDSACASA-N	238.291	-0.042	50	10	BBGE	
Cc1ncc(CN(C)c2ccncc2B(O)O)o1	2319958763	UXDZAXDBVWLUFE-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
[C-]#[N+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO	55817329	KEPYLRFTUFPYBU-LKEWCRSYSA-N	237.215	-0.896	50	10	BBGE	
CN(C)[C@@H]1CCN(CCCCC(=O)NN)C1	82469334	VYXYDAYDUSWOJO-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC(N)=O)CC(C)C	82469883	WYHAVKIESCVJPL-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
COC[C@@H](O)CN(C)CCCCC(=O)NN	82470798	SVQFFLJYIMTEPM-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
NC(=O)NNC(=O)CC[C@@H]1CCCO1	83525719	DPHPKKCPPULSJU-LURJTMIESA-N	201.226	-0.355	50	10	BBGE	
CC(C)S(=O)(=O)N1CCOC[C@H]1N=C=O	83877880	HZHROLCVJFJQEU-QMMMGPOBSA-N	234.277	-0.281	50	10	BBGE	
NNC(=O)c1ccc(Cn2ccc(C(N)=O)n2)o1	85196196	NYSUAGNOFUETPZ-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(=O)O)C(C)(C)C	92449702	SHHWCXKUEMBAPP-UHFFFAOYSA-N	245.279	-0.661	50	10	BBGE	
CN(CCCC(=O)NN)CC(=O)N1CCCC1	110587018	RUDWIKWXFYJRSR-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
COc1ccc([N+](=O)[O-])cc1OCC(=O)NN	111236677	BSIJJGXKEWKZRX-UHFFFAOYSA-N	241.203	-0.028	50	10	BBGE	
NNC(=O)C(=O)N1CCCOc2ccccc21	133860180	QNVMGSQYKOTDDX-UHFFFAOYSA-N	235.243	-0.208	50	10	BBGE	
CCNC(=O)[C@@H]1COCCN1C[C@H](Cl)C#N	139560401	UYPZKBDJZIWADY-BDAKNGLRSA-N	245.710	-0.046	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)C1=COCCO1	170770001	WKMQFDWODSZDKE-UHFFFAOYSA-N	240.137	-0.416	50	10	BBGE	
Nc1cccc(B(O)O)c1C(F)(F)F	204749119	DPJJTBFAPFYXSB-UHFFFAOYSA-N	204.944	-0.033	50	10	BBGE	
NNC(=O)/C=C\S(=O)(=O)c1ccccc1	208426777	WSBLZNGGOWCETA-SREVYHEPSA-N	226.257	-0.036	50	10	BBGE	
C[C@H](O)[C@@H]1CCN([C@@H](C)CC(=O)NN)C1	226494655	VCCOFUDPZHNLIN-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
Cn1ccnc1CCOc1cccc(B(O)O)c1	228701191	BAFIEHHMXMNKDC-UHFFFAOYSA-N	246.075	-0.279	50	10	BBGE	
COCCN(C1CC1)[C@H](COC)C(=O)NN	232419783	ASOUODYXAJNDEX-SECBINFHSA-N	231.296	-0.898	50	10	BBGE	
CCOC[C@H](C)O[C@@H](COC)C(=O)NN	233783013	FQVBFVJQUHUHQT-YUMQZZPRSA-N	220.269	-0.567	50	10	BBGE	
CCOC(=O)C[C@@](O)(CCl)C(N)=O	238250262	GLTFVUDODPHLAY-SSDOTTSWSA-N	209.629	-0.605	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CCCC[C@H]2C1	251221230	MZKGFFHHVAJUGA-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC[C@@H]1CC[C@@H](NC(=O)C(=O)NN)[C@H]1C	251649758	NJEPKPGGAUCTHY-XLPZGREQSA-N	213.281	-0.083	50	10	BBGE	
CN1CCO[C@H](CN[C@@H]2COC[C@@H]2Cl)C1	306414488	OIZKOBZIDJROTL-KXUCPTDWSA-N	234.727	-0.087	50	10	BBGE	
NNc1cccc(C(F)F)c1B(O)O	306587143	RXQVTMKINUJBLU-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
CN1CCCN(C[C@@H](O)CCl)S1(=O)=O	306861513	FNBWHDFDNXEUGI-ZETCQYMHSA-N	242.728	-0.532	50	10	BBGE	
NNc1ccc(B(O)O)cc1C(F)F	306891534	GKUUCGXFYDWWTB-UHFFFAOYSA-N	201.969	-0.410	50	10	BBGE	
C[C@@H](Cl)c1nnnn1C1CS(=O)(=O)C1	307052495	ORPBJJKJWNIOIM-SCSAIBSYSA-N	236.684	-0.058	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCC(F)(F)C2)O1	313313455	QTHVEUPNGSKDDQ-HTQZYQBOSA-N	249.261	-0.135	50	10	BBGE	
Cc1ncn(CC(C)(C)C(=O)NN)c(=O)c1C	395487683	DLQPBJPZLHLXBK-UHFFFAOYSA-N	238.291	-0.124	50	10	BBGE	
N#Cc1cccc(B(O)O)c1CC(=O)CCl	396073697	FUZWKDKNYOQPMH-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H](C)S(N)(=O)=O	398236258	LZKVJOHMQJUIAC-RITPCOANSA-N	242.728	-0.346	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1O	399902467	LAAVZAQKNBJSSH-YIZRAAEISA-N	215.297	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@H](C2CC2)C1	400132167	SUCMUYGWLPQVPT-UWVGGRQHSA-N	227.308	-0.277	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)[C@H]1CCCOC1	401363984	DDYHXNKTBRGPCC-ZDUSSCGKSA-N	249.119	-0.023	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@H](C)[C@@H](C)C(=O)NN)C1	401528163	GTZAGCVEWPEJAO-SGIHWFKDSA-N	229.324	-0.296	50	10	BBGE	
CSCCC(=O)Nc1cccc(B(O)O)n1	405041405	XPCKIFDNGGXBLA-UHFFFAOYSA-N	240.093	-0.547	50	10	BBGE	
NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccc1	521400156	CLZBELSYCKYGBK-RKDXNWHRSA-N	209.249	-0.117	50	10	BBGE	
CN1CC[C@H](N2CCC(O)(C#N)CC2)C1=O	686011498	GMTIGWQQAHNQNG-VIFPVBQESA-N	223.276	-0.432	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CCC(=O)NN	687258654	RMNAVSLMYNZEKQ-DTORHVGOSA-N	212.297	-0.855	50	10	BBGE	
CCCO[C@@H]1CCN([C@H](COC)C(=O)NN)C1	701699037	GMKYEEBHPZSTAI-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299932	HXCMLAHJSIFSFV-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
Cc1nccnc1CN(C)[C@H](C)C(=O)NN	704146097	ODHCSLVZHRYRAS-MRVPVSSYSA-N	223.280	-0.405	50	10	BBGE	
CC[C@H](C)[C@@H](NC(N)=O)C(=O)N(C)N	704704896	BCCSJWSGWSAFIQ-NTSWFWBYSA-N	202.258	-0.599	50	10	BBGE	
COC[C@H]1CN([C@@H](C)CCC(=O)NN)CCO1	705869823	PXBMJNQQFJNUBU-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)C[C@H]1C	707347718	UOXKGEQUDRUGEI-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)c1coc(Cn2ccnn2)c1	710718289	FTMIANBAFIUHDT-UHFFFAOYSA-N	207.193	-0.477	50	10	BBGE	
C[S@](=O)N1CCc2ccc(B(O)O)cc21	712993620	FSKONIMSIOJVCB-HNNXBMFYSA-N	225.078	-0.978	50	10	BBGE	
CN(C)C[C@@H](O)CNS(=O)(=O)CCCl	717375622	JSZVYAVGILDKHO-ZETCQYMHSA-N	244.744	-0.933	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1	722337653	OHWZRGCWRHSDSB-JGVFFNPUSA-N	227.264	-0.950	50	10	BBGE	
CCNC(=O)NNC(=O)c1n[nH]c(C)c1C	734427593	RBQRFORXODVSKJ-UHFFFAOYSA-N	225.252	-0.010	50	10	BBGE	
CC(C)COCCC(=O)NNC(=O)CO	753452259	MXXZGPMYNYMEJZ-UHFFFAOYSA-N	218.253	-0.811	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H](OC)[C@H]1CCOC1	854163394	SZVLXKAIXJKMDX-YUMQZZPRSA-N	246.263	-0.185	50	10	BBGE	
C=CCCC(=O)NNC(=O)c1cn(C)nn1	855186025	GUUQSCKELASNHC-UHFFFAOYSA-N	223.236	-0.458	50	10	BBGE	
C[C@H]1CO[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1	898586019	CAHLCMGRJZMYDW-SVRRBLITSA-N	238.247	-0.404	50	10	BBGE	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NN=c1cc[nH]cc1	1296236549	GVSMBGRQXZJTTF-XPUUQOCRSA-N	236.231	-0.557	50	10	BBGE	
CCC[C@H](OC)C(=O)NNC(=O)c1ncon1	1439774080	PATDSEWDUVDFCC-LURJTMIESA-N	242.235	-0.354	50	10	BBGE	
CNc1ccccc1C(=O)NNC(=O)CO	1457725413	XTUUMAAEJYVGTD-UHFFFAOYSA-N	223.232	-0.518	50	10	BBGE	
CN(C)C(=O)/C=C/C(=O)NNC(=O)C1CCC1	1543355963	VQLZHAKEBXQSCH-VOTSOKGWSA-N	239.275	-0.422	50	10	BBGE	
C[C@@H]1CC[C@H](CN(C)CC(=O)NN)O1	1877302382	YTRUENZPAQJHKK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
OC[C@@H](O)CNC[C@@H]1C[C@@H]1Br	1877357817	LCKIXRDYOJGBJN-ACZMJKKPSA-N	224.098	-0.287	50	10	BBGE	
CC[S@](C)(=O)=NCCNC(=O)NN	1882753542	BNVPLPRYJQQDGL-ZDUSSCGKSA-N	208.287	-0.723	50	10	BBGE	
NC(=O)CCNC(=O)C=CC(=O)Cl	1883627197	RHXYVVMLXXPFJN-UHFFFAOYSA-N	204.613	-0.700	50	10	BBGE	
O=C(O)[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1Cl	1883634728	NTSMJULQFYDPLO-WISUUJSJSA-N	207.613	-0.825	50	10	BBGE	
CO[C@@H]1COCCN(C[C@H](O)CCl)C1	1893382882	UGSKKQMRTMIHOY-BDAKNGLRSA-N	223.700	-0.067	50	10	BBGE	
Cc1ccc(=O)n([C@@H](C)CC(=O)NN)n1	1893837777	JREJRBSSJBUEDO-ZETCQYMHSA-N	210.237	-0.507	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	1894056783	SGQDAMCJVJPONY-XGEHTFHBSA-N	213.281	-0.933	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@@H](O)C[C@@H]21	1895657889	VWWMFGRANLZLAT-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
O=C1CCC[C@H](CN2CC[C@@H](B(O)O)C2)N1	1902511239	FSEIZFFIDMCUQC-RKDXNWHRSA-N	226.085	-0.796	50	10	BBGE	
OB(O)c1csc(COCCOC2CC2)n1	1902658074	IADXNYRWNNMYFA-UHFFFAOYSA-N	243.093	-0.482	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](CC1CC1)C1CC1	1902887109	XLZIVXNHEUUVFM-JTQLQIEISA-N	221.065	-0.303	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCC[C@@H]2C1=O	1906965650	OXJLLCCBENIRKS-IUCAKERBSA-N	241.291	-0.749	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@]12CCC[C@@H]1C2	1909385571	CPHGMAOYFAKSMB-SKDRFNHKSA-N	233.076	-0.282	50	10	BBGE	
C[C@H](CN1C[C@@H](C)N(C)C1=O)C(=O)NN	1912281431	ZZQYYASNKRKXDU-RNFRBKRXSA-N	214.269	-0.632	50	10	BBGE	
C[C@@H](N=S1(=O)CCCC1)C(=O)NN	1913892391	ACJLIGCSHXFCHW-ZCFIWIBFSA-N	205.283	-0.373	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1917429449	OAADZJLMVBSYRM-IMFYSGRJSA-N	209.249	-0.863	50	10	BBGE	
Cc1cn(C[C@H]2C[C@H]2C(=O)NN)c(O)n1	1927913269	HIGXIIDJJBIRIG-RNFRBKRXSA-N	210.237	-0.477	50	10	BBGE	
NNC(=O)COCCN1CCCSCC1	1928183481	VNEMYXDQRTVPJB-UHFFFAOYSA-N	233.337	-0.568	50	10	BBGE	
CON(C)Cc1cncc(C(=O)NN)c1	1928678555	WFPTXQXFLKUGFN-UHFFFAOYSA-N	210.237	-0.322	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1CO)OCCl	1928734562	AYUGRDVKJPKFNT-WDSKDSINSA-N	209.629	-0.084	50	10	BBGE	
CN(C)S(=O)(=O)N[C@H]1COC[C@@H]1CCl	1928749099	PSASKXZIOPHWMK-BQBZGAKWSA-N	242.728	-0.364	50	10	BBGE	
Cc1nc(C(=O)NNC(N)=S)co1	1929824635	HMCLQSUMAZGUFA-UHFFFAOYSA-N	200.223	-0.539	50	10	BBGE	
O=C(NNCCO)c1nccnc1Cl	1929833909	SCSGXSLEBKCLGL-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC2(CC2)CO1	1930147635	IXIOLQHMLAGMHT-HTQZYQBOSA-N	211.265	-0.360	50	10	BBGE	
CS(=O)(=O)c1sccc1[C@H](N)B(O)O	1930700084	HDHJBLAUZRRDSF-YFKPBYRVSA-N	235.095	-0.837	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]2C[C@@H]2CO1	1931599574	YTHULOXWZWECPM-PBXRRBTRSA-N	215.278	-0.724	50	10	BBGE	
O=C1C[C@H](N=c2[nH]nc(CCl)o2)C(=O)N1	1932174700	WPRQEJKMIBNHNF-VKHMYHEASA-N	230.611	-0.943	50	10	BBGE	
C[C@H]1C[C@@]1(CNC(=O)NN(C)C)C(=O)O	1935436760	DLWGHNWLMRUZPE-RCOVLWMOSA-N	215.253	-0.127	50	10	BBGE	
N#CC1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1936089011	BKEJZFUXBPHLRB-VHSXEESVSA-N	222.292	-0.152	50	10	BBGE	
CC1(C)CCN(CCOCC(=O)NN)C1=O	1936529675	NIPPLTRHAILODC-UHFFFAOYSA-N	229.280	-0.749	50	10	BBGE	
CC1(C)CN(CCOCC(=O)NN)CCO1	1936538299	XRDXNOQVDKGDSC-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
CCCN(C[C@H]1CC[C@@H](C(=O)NN)O1)OC	1937123984	HZERDMIBNVKJOQ-BDAKNGLRSA-N	231.296	-0.203	50	10	BBGE	
OB(O)c1ccn(CC2[C@H]3CCCC[C@H]23)n1	1937644962	VYPJUSSVOJLJIS-IUCAKERBSA-N	220.081	-0.001	50	10	BBGE	
OB(O)c1ccccc1OCCOC(F)F	1937688697	LXHQVCOPKLAERK-UHFFFAOYSA-N	231.991	-0.016	50	10	BBGE	
NNC(=O)C1(Cn2cnc(C3CC3)n2)CC1	1938258788	JWIXYLYJIMGKPL-UHFFFAOYSA-N	221.264	-0.074	50	10	BBGE	
C[C@H](CN1CC[C@@H]2C[C@@H](O)CC[C@H]21)C(=O)NN	1940523130	FPMJZXWQJXQXHG-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CN1C[C@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@H]2C1	1941085425	LVIWCCWUEAUMAC-UKKRHICBSA-N	238.335	-0.894	50	10	BBGE	
CN(CCn1cccn1)C[C@H]1C[C@H]1C(=O)NN	1941089181	UGAPBXIIGZEAJC-NXEZZACHSA-N	237.307	-0.559	50	10	BBGE	
O=C1CN([C@H]2CCO[C@@]23CCOC3)CC(=O)O1	1941135392	DOICMNYHXPIEOQ-GZMMTYOYSA-N	241.243	-0.680	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@]1(C)CCOC1	1941773522	ZRIIDNNNAGQXHL-NSHDSACASA-N	245.323	-0.649	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)CC(C)(C)O1	1941783551	BUUCWJXORFVSSQ-SECBINFHSA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)NNCCO)C1	1944215937	PBIXSFMYUMJGSC-CIUDSAMLSA-N	244.291	-0.264	50	10	BBGE	
O=C(NNCCO)c1ccc2c(c1)OCCO2	1944216304	UMYNWEOUCTZWKZ-UHFFFAOYSA-N	238.243	-0.316	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@@H]1CN(C)C	1947728662	UYZYPXSOZHTEDX-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
CC(C)[C@H](OC[C@@H]1COCCCO1)C(=O)NN	1948414560	AQWUUSFYGCPFGR-UWVGGRQHSA-N	246.307	-0.177	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@H](CO)C1	1948808092	XJTIJPIAPNLOKJ-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
Cc1cnoc1C(=O)N1CC[C@H](B(O)O)C1	1951320201	GAOXJGFSKOIJKS-ZETCQYMHSA-N	224.025	-0.328	50	10	BBGE	
CC[C@](C)(OC)C(=O)N1CC[C@@H](B(O)O)C1	1951321999	POHCXIIOPZUYRG-SCZZXKLOSA-N	229.085	-0.123	50	10	BBGE	
O=C(CCl)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1954501915	FZJWZICLJRFXGM-BKMCOVHNSA-N	205.641	-0.822	50	10	BBGE	
C[C@H]1C[C@@H](C(=O)NCB(O)O)CCS1	1955420635	KUWUMVCPOLJWDY-BQBZGAKWSA-N	217.099	-0.354	50	10	BBGE	
C[C@@H]1CC[C@H](CC(=O)NNC(N)=O)O1	1955612460	AQBWOUDDZVQUET-PHDIDXHHSA-N	201.226	-0.357	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC[C@@](O)(C(N)=O)C1	1958797545	JDCKINBPTURFAA-RCOVLWMOSA-N	234.683	-0.548	50	10	BBGE	
Cn1cc(C(=O)NN)c(CSCCN)n1	1961176646	AJWCVCBAEKHEMJ-UHFFFAOYSA-N	229.309	-0.785	50	10	BBGE	
CC(F)(F)COc1ccncc1B(O)O	1961711500	DYRZJDVEEKJAHV-UHFFFAOYSA-N	216.980	-0.205	50	10	BBGE	
CC[C@@H](O)CN(CC)CC(=O)NNC(C)=O	1977844068	YGHXRHBXLYQKKF-SECBINFHSA-N	231.296	-0.754	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)C[C@H]1N(C)C	1980825937	NVNCSILHSWBLSU-VHSXEESVSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2COC[C@@H]21	1982260040	GQPKRABFIOINND-DOLQZWNJSA-N	227.308	-0.421	50	10	BBGE	
CCSCCC(=O)N[C@H](CB(O)O)C(=O)O	1985639808	HDKDKZVMZYTPPS-ZCFIWIBFSA-N	249.097	-0.828	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CO[C@@H](C)C1	1990774524	KCZXZOCBZYWPKO-IONNQARKSA-N	229.280	-0.737	50	10	BBGE	
CS[C@H]1CCCN(CC(=O)NNC(C)=O)C1	1990774943	PIRPURBNCGNOBL-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
N[C@@H]1CN(C(=O)/C=C/C(=O)Cl)[C@@H]2COC[C@H]12	1991706887	VEMTZXZVUNLYBO-MSGXPLJYSA-N	244.678	-0.508	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H]2[C@@H]1CO	1992538901	ZMVMASVHYLKCFA-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CN1CCC[C@@H]1[C@H]1CCCN1CCC(=O)NN	2004364777	MGNSOQDNDFAEEO-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(CCF)CC1(C)C	2006420862	QLPCJSLOMRIYCC-SECBINFHSA-N	246.330	-0.270	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC2CC1(CO)C2	2008884052	YSPPLXLAIVKENY-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N2CCCC2=O)C1	2011136713	IWDZFJFSXUGKLJ-VIFPVBQESA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H](F)C[C@@H](F)C2)nc1	2011404711	ALOUTNUYVPFNBL-OCAPTIKFSA-N	243.022	-0.957	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1COC2CC1C2	2011812380	HLVYEGQWXZGBCR-BMNUFHGDSA-N	243.307	-0.900	50	10	BBGE	
Cc1oncc1C(=O)N[C@@H]1CCC=C1B(O)O	2020058433	YTBRKEWURCTMOJ-SECBINFHSA-N	236.036	-0.186	50	10	BBGE	
CC(C)[C@H]1C[C@H]1COc1ncc(B(O)O)cn1	2022578437	FVTISXSWGPCGEV-WCBMZHEXSA-N	236.080	-0.173	50	10	BBGE	
Cc1nn(C)cc1Cn1nc(C)c(B(O)O)c1C	2026961332	JGSLPPPZCGYWGU-UHFFFAOYSA-N	248.095	-0.730	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)N1C[C@H]2C[C@H]2C1	2028426831	WKDRDNCWAVIXJP-OCAPTIKFSA-N	247.063	-0.755	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@H]2C2CCC2)n1	2052625932	REDVHCNAZVFIMS-LLVKDONJSA-N	247.107	-0.156	50	10	BBGE	
CN(Cc1cncnc1)c1ccc(B(O)O)cn1	2058463265	CJHFIKUBKAJHNC-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
OB(O)c1ccccc1CN1CC[C@@H]2COC[C@@H]21	2077841936	GDNVSMRQRJDEDX-YPMHNXCESA-N	247.103	-0.413	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccccc1B(O)O	2079012463	UJQCZUVPWKTAPG-RKDXNWHRSA-N	245.087	-0.105	50	10	BBGE	
O=c1cccnn1Cc1cc(B(O)O)cs1	2211071296	AQJYYBJIMXTSHB-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
O=C1OCCN1Cc1cccc(B(O)O)c1	2211134266	LDZUYCQTUCPTMZ-UHFFFAOYSA-N	221.021	-0.681	50	10	BBGE	
N#Cc1cccn1-c1ccc(B(O)O)cn1	2212594586	IUSWLSOFSFVTJY-UHFFFAOYSA-N	213.005	-0.576	50	10	BBGE	
CC(C)[C@H](N)COc1ccc(B(O)O)cn1	2212602149	ZFPCUZMXHLEFCM-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
C#C[C@H](Nc1cc(B(O)O)ccn1)C(C)C	2212615608	RLLDVZDLZSVKLV-JTQLQIEISA-N	218.065	-0.169	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2CCCCC(=O)NN	2213354151	IZMXBXPDYXFNCE-FOGDFJRCSA-N	241.335	-0.008	50	10	BBGE	
CCN(Cc1cccc(B(O)O)c1)C[C@H](C)N	2214593273	QSWGLWNWKURJAI-JTQLQIEISA-N	236.124	-0.465	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@H]1CC[C@H]1C(=O)NN	2215771531	IOTFXLTWAFQKFE-LMLFDSFASA-N	241.335	-0.295	50	10	BBGE	
CN(CC1CC(O)C1)C[C@H]1CC[C@@H]1C(=O)NN	2215775620	HZUQDXUSWRNNIT-DJRKXVOMSA-N	241.335	-0.295	50	10	BBGE	
CC[C@H]1COC[C@@H]1Nc1cc(B(O)O)ccn1	2217172531	KXBVATXMDFTUOD-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
COC[C@@H](C)[C@H](C)Nc1ncc(B(O)O)cn1	2217178712	ANZWMIBRIWCKAF-SFYZADRCSA-N	239.084	-0.761	50	10	BBGE	
CC(C)C[C@@H](N)CNc1ccc(B(O)O)cn1	2217182400	AFCZLSNHRDNJAO-SNVBAGLBSA-N	237.112	-0.453	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2ncccc2B(O)O)C1	2217184349	OQYSPCSHTXTUIN-BDAKNGLRSA-N	235.096	-0.557	50	10	BBGE	
Cc1cnc(O[C@H](CN)C(C)C)cc1B(O)O	2217185140	UJPDEKCSZDMVRY-SNVBAGLBSA-N	238.096	-0.568	50	10	BBGE	
CC[C@]1(Oc2ccc(B(O)O)cn2)CCNC1	2217194220	SINKDVKHLIHZLI-NSHDSACASA-N	236.080	-0.718	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)C[C@H]1CO	2220071560	IIIIFCPFQJGEPJ-PWSUYJOCSA-N	249.119	-0.573	50	10	BBGE	
Cc1ccc(NC(=O)c2ccno2)cc1B(O)O	2222238826	DRQXYUBFLUCSHB-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@@H]3C[C@@H]3CO2)c1	2223626612	IQOHYOYTMFPGLI-NGZCFLSTSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1B(O)O	2223646885	QOVYIUSRWWCKFW-BFLSOPEQSA-N	244.103	-0.086	50	10	BBGE	
Cc1ccc(CCN=c2ccc(B(O)O)c[nH]2)o1	2223648135	HSOORVDGSQTBSS-UHFFFAOYSA-N	246.075	-0.261	50	10	BBGE	
CC(C)n1cc(Oc2ncc(B(O)O)cn2)cn1	2223664476	YLWRGQIACDRWOL-UHFFFAOYSA-N	248.051	-0.274	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CCC[C@@H]2COC3)c1	2223667486	SKGMVHPWICXDFM-PHIMTYICSA-N	248.091	-0.481	50	10	BBGE	
CCOCCNC(=O)[C@H]1C[C@H]1B(O)O	2241495748	LYVYBSOPUWXJPC-NKWVEPMBSA-N	201.031	-0.998	50	10	BBGE	
O=C(CBr)N1CC[C@H]1[C@@H](O)CO	2241810442	DBSQAJYVRCVUCX-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
CO[C@H](C)CNC(=O)c1csc(B(O)O)c1	2243349167	HCZJZUYAUVSPME-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
C=C(C)CCNC(=O)c1ncsc1B(O)O	2243358745	KHTSCGHBWWCXCZ-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1csc(B(O)O)c1	2243362645	UMVFGPUOWZNQSX-SSDOTTSWSA-N	239.105	-0.044	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)C1(B(O)O)CC1	2243363127	BJSVDMZMBGLFFB-UHFFFAOYSA-N	224.000	-0.412	50	10	BBGE	
CCN(C)CCNC(=O)[C@H]1C[C@H](B(O)O)C1	2243396143	IGISQQXDRBDWIF-KYZUINATSA-N	228.101	-0.693	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@@H](C)CO	2243397755	ILSUBWZDWBRWDK-YUMQZZPRSA-N	229.085	-0.483	50	10	BBGE	
C[C@H](CCNC(=O)[C@H]1C[C@H]1B(O)O)N(C)C	2243398714	SONCEWBIMBMASU-HRDYMLBCSA-N	228.101	-0.694	50	10	BBGE	
C#C[C@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243410770	HMEFKOIQKHCTEP-DTORHVGOSA-N	221.065	-0.089	50	10	BBGE	
N#CC1(NC(=O)C2CC(B(O)O)C2)CCC1	2243413230	BTNBFKDFZQEHNR-UHFFFAOYSA-N	222.053	-0.198	50	10	BBGE	
O=C(NCCCNC1CC1)[C@H]1C[C@@H]1B(O)O	2243419829	HNRXDOTXIDLVRR-IUCAKERBSA-N	226.085	-0.892	50	10	BBGE	
CON(C)C(=O)Nc1ccc(B(O)O)cc1	2243454411	SVANYDABFDAKEW-UHFFFAOYSA-N	224.025	-0.609	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC=CCC1	2244548815	UZHBSOLMCPCAKE-SNVBAGLBSA-N	221.065	-0.136	50	10	BBGE	
NNC(=O)COCCOC[C@]12C[C@H](CO1)C2	2245215741	MKZOGWJPRZARSM-WAAGHKOSSA-N	230.264	-0.812	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCOC2)ncc1Cl	2245912516	BLTFADXUJNCDQK-ZCFIWIBFSA-N	243.455	-0.418	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)C1(C)CCC1	2247742368	NTVJSLADNJFCEI-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1C[C@H]1C(F)(F)F	2247744297	QSTXKEPGSFGMTQ-RNFRBKRXSA-N	248.997	-0.294	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]1C1CCCC1	2247746868	FMBVLZHOWWLNSN-QWRGUYRKSA-N	235.092	-0.056	50	10	BBGE	
C[C@H]1C[C@@]1(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247747942	VHHRDOLTBMBQNB-QUBYGPBYSA-N	240.043	-0.828	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1ccc(B(O)O)c(F)c1	2247751722	BFTCYSADIRZYBJ-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
N=c1cc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)cc[nH]1	2247788075	YYMSUDOCXLTIGD-KNVOCYPGSA-N	235.052	-0.314	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247797717	MJDQCPCVOVTUBK-HLTSFMKQSA-N	241.096	-0.077	50	10	BBGE	
CN(Cc1cccnn1)C(=O)[C@H]1C[C@H]1B(O)O	2247806510	FOHCYPBMCFBXNO-DTWKUNHWSA-N	235.052	-0.702	50	10	BBGE	
COC(=O)[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2247854992	LWELWMBAFQTGAQ-ZETCQYMHSA-N	241.052	-0.843	50	10	BBGE	
CNC(=O)c1ccc2cc(B(O)O)ccc2c1	2247874086	OJXLLFMZQQVJJR-UHFFFAOYSA-N	229.044	-0.121	50	10	BBGE	
O=C(N1CCNCC12CCC2)C1(B(O)O)CC1	2247878751	MQTPVUZTWLZCPY-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)C1CC(B(O)O)C1	2247902754	GZPXQKPJGVHOAO-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
O=C(O)[C@H]1CC=CCN1C(=O)C1(B(O)O)CC1	2248573251	BHNPZKTWIAMBBD-SSDOTTSWSA-N	239.036	-0.765	50	10	BBGE	
O=C(NC1(C(=O)O)CCCC1)[C@@H]1C[C@@H]1B(O)O	2248584746	AVQJIUSCECHLOV-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
C[C@H]1CN(C(=O)c2cocc2B(O)O)C[C@@H]1F	2249410483	NKTRAIPNMAISGS-RCOVLWMOSA-N	241.027	-0.611	50	10	BBGE	
COCCN(C[C@H](C)O)[C@@H](C)[C@H](C)C(=O)NN	2250545989	PGMXOUGOORWJGU-GUBZILKMSA-N	247.339	-0.670	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1O[C@H]2CC[C@H]1C2	2254460156	YLJZTXKTBNBBSC-QWRGUYRKSA-N	247.059	-0.325	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]3C[C@@H]3C2)n1	2254703991	JQZWICNXKAFXJI-RKDXNWHRSA-N	248.091	-0.384	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc2c(c1)CNCC2	2255465901	QEZPHIXNWQRTAX-UHFFFAOYSA-N	244.059	-0.714	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@@H](C)C2CC2)n1	2255487069	JPQMTIDUNPTEGX-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CC[C@@H]1C	2255504625	SKKBHBZQCTWDRS-QMMMGPOBSA-N	249.075	-0.391	50	10	BBGE	
Cc1ccc(C(=O)N2CCCC2=O)c(B(O)O)c1	2255513652	VKCJGNOGFZLWRK-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
Cc1ccc(C(=O)N(C)C2COC2)c(B(O)O)c1	2255513782	XPMVXRPXJUMYGU-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
CC(C)C1(NC(=O)c2ncncc2B(O)O)CC1	2255517834	XSAIFYWSPFOGGD-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
CC=C=CCCNC(=O)c1cncc(B(O)O)c1	2255531650	QSBATWDFLZJSOP-UHFFFAOYSA-N	246.075	-0.388	50	10	BBGE	
Nc1cccc2c1CN(C(=O)C#CB(O)O)CC2	2255672206	CLZLEAHJCCKXLD-UHFFFAOYSA-N	244.059	-0.831	50	10	BBGE	
N#Cc1ccc(CNC(=O)C#CB(O)O)cc1F	2255676566	SCGDOCISRLUBRE-UHFFFAOYSA-N	246.006	-0.671	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CC1)c1cncc(B(O)O)c1	2255715403	FHQDMGHLJZMTKD-GHMZBOCLSA-N	246.075	-0.710	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ccc(B(O)O)cc1O	2255958150	ZDONADKFMSOVHI-UHFFFAOYSA-N	249.075	-0.234	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1ccc(B(O)O)o1	2257072261	UKYIMONYHMFMDL-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1CC[C@H]1C	2257491237	LFJSZPAFBYJKPX-XCBNKYQSSA-N	248.091	-0.402	50	10	BBGE	
C#C[C@@H](NC(=O)c1cocc1B(O)O)C1CCC1	2258125770	AFVJEKWZFHCVFR-LLVKDONJSA-N	247.059	-0.509	50	10	BBGE	
O=C(NC1C[C@H]2CC[C@@H]2C1)c1cocc1B(O)O	2258138308	INQSLKYCIRGVMB-HTQZYQBOSA-N	249.075	-0.122	50	10	BBGE	
CC1(C)[C@H]2C[C@H]2CN1C(=O)c1cc(B(O)O)co1	2258139947	ZWHSRHBJXSDSMC-CBAPKCEASA-N	249.075	-0.170	50	10	BBGE	
O=C(O)C[C@H]1C[C@@H]1CNC(=O)C1(B(O)O)CC1	2299283923	UOECQIJYBQKOKL-RNFRBKRXSA-N	241.052	-0.780	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1occc1B(O)O	2301202352	UPDQBTNEEOMMSY-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCN(C)C(C)=O	2301395818	STUYAAXRVBBBLQ-JTQLQIEISA-N	244.339	-0.445	50	10	BBGE	
NC/C=C\CNc1ccc(C=O)c(B(O)O)c1	2301419708	TWAOBUUUJUSYRK-UPHRSURJSA-N	234.064	-0.894	50	10	BBGE	
Cc1nccn1-c1ccc(C=O)c(B(O)O)c1	2301420642	JHDQHLBKJRMODK-UHFFFAOYSA-N	230.032	-0.327	50	10	BBGE	
Cn1ccnc1CCN1CC[C@@](C)(B(O)O)C1	2303124128	OVXIIJBMTLPNAC-LLVKDONJSA-N	237.112	-0.099	50	10	BBGE	
Cc1nn(-c2ncc(B(O)O)cn2)c(C)c1F	2303300046	WYPNTANHRFXOAO-UHFFFAOYSA-N	236.015	-0.902	50	10	BBGE	
COC(C)(C)C1(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2303771629	ZCSCXGRKPMYRTP-YUMQZZPRSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@H]1C	2303834364	DWDOTXLRVQKOSS-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3C[C@@H]3C2)ncc1F	2303835809	CGYIJJITABZYLG-HTQZYQBOSA-N	236.055	-0.253	50	10	BBGE	
C[C@@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)CN1	2303857490	FKTVXTWJDSEZFI-RQJHMYQMSA-N	240.043	-0.970	50	10	BBGE	
C[C@@H](CN(C)C)N(C)c1ccncc1B(O)O	2306892461	RMYGNHUXKSXIEV-VIFPVBQESA-N	237.112	-0.852	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@H]1CO	82470211	OYVUSDONYSLLGJ-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](CC)C(=O)NN	82470756	QAUZGIQMPRKKLJ-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CN(CCn1cc(C(=O)NN)nn1)CC1CC1	110581114	WYWXKKKJUOLRRI-UHFFFAOYSA-N	238.295	-0.777	50	10	BBGE	
O=c1ncccn1C[C@@H](O)CBr	160930217	WVVRJKBRYOJYBI-LURJTMIESA-N	233.065	-0.001	50	10	BBGE	
CCNC(=O)CCNC(=O)NC(=O)CCCl	163530045	OCTPHAKRWRQGCH-UHFFFAOYSA-N	249.698	-0.033	50	10	BBGE	
CC(CO)(CO)NC(=O)CCBr	168508481	QTOABRBYNKXBLP-UHFFFAOYSA-N	240.097	-0.369	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC#N)CC#N	212062518	BAWNWLFIBDZMJR-QMMMGPOBSA-N	209.253	-0.506	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2C(=O)CC[C@H]2C1	228064312	PTEYOVXYCGAMDA-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H](CN1CC[C@@H](CCO)C1)C(=O)NN	229247462	NZJHCKYYDKUDQR-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
C/C=C/C=C/C(=O)NNC(=O)[C@H]1COCCO1	266737082	YNWUFIWCHZXGIT-GTKKCLNISA-N	240.259	-0.319	50	10	BBGE	
CO[C@H](CN)C(=O)NCC(Cl)Cl	379321426	CBKDXSABKHGIEG-SCSAIBSYSA-N	215.080	-0.120	50	10	BBGE	
COC(=O)NNC(=O)CNCC(F)(F)F	380339077	RCSYXUZDGRTZPV-UHFFFAOYSA-N	229.158	-0.475	50	10	BBGE	
C[C@@H](CN(C)C)N=c1[nH]c(CCl)nc(=N)[nH]1	380977176	BQZMGCOZHHWOLS-LURJTMIESA-N	244.730	-0.193	50	10	BBGE	
O=C(Cc1cccc(B(O)O)c1)N1CCCCC1	382643273	RFFJZYCNJKRWKD-UHFFFAOYSA-N	247.103	-0.079	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](SC)C1	382865144	BPDFOOAMHHTZFN-JGVFFNPUSA-N	233.337	-0.571	50	10	BBGE	
C[C@H](O)CN(C)Cc1ncccc1C(=O)NN	383126362	IHJAROKVTJMXQZ-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
OB(O)c1ccccc1OCCn1ccnc1	386182937	AGHDYWBXYFPCQC-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1C[C@@H]2CC[C@H](C1)N2C	394163868	LWVRRRZOWMZGFS-GKDVJIACSA-N	240.351	-0.078	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](N2CCCC2)C1	394682338	YVUDWQSTRSBFEQ-LLVKDONJSA-N	240.351	-0.073	50	10	BBGE	
N#Cc1c(B(O)O)sc2ccc(CO)cc12	396211571	ABLNDKVOIKNJDE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(CCO)CC1	401037900	ZOECSQBZELODMB-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCCO)C1CC1	404237727	ARYFLXGHXSVTHJ-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
Cc1ccc(N[S@](C)=O)cc1B(O)O	405082011	MNCCURFUXFMEHZ-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
Cn1nnc(CN2CCC(O)(C#N)CC2)n1	685989287	OSBHXKUKDZZPBQ-UHFFFAOYSA-N	222.252	-0.939	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2[C@@H](C)CC(=O)NN	686193020	KDYHEJFXKKWWBT-FBDQPXRJSA-N	241.335	-0.011	50	10	BBGE	
C[C@@H](CO)CN(C)CCCC(=O)NN	688386452	GBTNBRKQZJQUSA-MRVPVSSYSA-N	203.286	-0.683	50	10	BBGE	
C[C@@H](CO)CN(C)Cc1nc(C(=O)NN)co1	688403389	FUVBVCDSSIIOKJ-SSDOTTSWSA-N	242.279	-0.662	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](CN(C)C)C1	689157038	BNUZIQVOQSVHQM-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](NS(=O)(=O)CCCCl)[C@H](O)CO	698873832	OYQRQWZKGGUXFO-NKWVEPMBSA-N	245.728	-0.724	50	10	BBGE	
O=C(NCB(O)O)c1ccc2cnccc2c1	702847061	WQUXQDRFPLAVPN-UHFFFAOYSA-N	230.032	-0.023	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@@H]1CNOC1	703357413	QVINXIOPDDUUPW-ZCFIWIBFSA-N	203.242	-0.081	50	10	BBGE	
COC[C@H](C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703425030	PGEPUNRFVJGZBM-FXQIFTODSA-N	213.233	-0.062	50	10	BBGE	
CNNC(=O)[C@@H](C)NC(=O)c1ccco1	704631632	PTYPMTHDKORCMR-ZCFIWIBFSA-N	211.221	-0.352	50	10	BBGE	
CCC(=O)NNS(=O)(=O)c1cn(CC)cn1	753067978	IWTAVBIHQIVOFE-UHFFFAOYSA-N	246.292	-0.378	50	10	BBGE	
CNC(=O)NNS(=O)(=O)N1CCC[C@H]1C	769865362	MTYKIQZCEUGZSJ-ZCFIWIBFSA-N	236.297	-0.851	50	10	BBGE	
C=CCCNC(=O)NNC(=O)[C@@H]1COCCO1	852164865	SZPQJXCGQZSTSN-QMMMGPOBSA-N	243.263	-0.692	50	10	BBGE	
COC(=O)NCC(=O)NN=c1cc[nH]cc1C	862503948	LZHFLYCFFQCYKI-UHFFFAOYSA-N	238.247	-0.389	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(C)[nH]n1	935139660	CFMVDVOCBQEQGX-HTRCEHHLSA-N	238.247	-0.486	50	10	BBGE	
CN1CC(N2C(=O)C[C@@H](Cl)NC2=O)C1	953028751	XIOMWBRUNQZIDG-LURJTMIESA-N	217.656	-0.193	50	10	BBGE	
O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccccn1	1153263546	ARSRFVZYJJHHCW-ZETCQYMHSA-N	248.242	-0.423	50	10	BBGE	
CC1=NO[C@](C)(C(=O)NNC(=O)C(C)(C)O)C1	1154456857	IYGNXSDSBBRATA-JTQLQIEISA-N	243.263	-0.540	50	10	BBGE	
Cn1cc(CCC(=O)NNc2ncccn2)nn1	1328109542	YVWMRSLXBAQWCM-UHFFFAOYSA-N	247.262	-0.319	50	10	BBGE	
COC(=O)C(=O)NN=C1CCC(C)(O)CC1	1329557564	PHUQHALMHMDTCX-UHFFFAOYSA-N	228.248	-0.043	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1332470177	OWICZLHRGMQVON-RKDXNWHRSA-N	238.291	-0.141	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)CC1(O)CCOCC1	1339601423	CNXAIYGJGQCJBU-SECBINFHSA-N	246.307	-0.738	50	10	BBGE	
O=C1CC[C@H](C(=O)NNc2cccnn2)O1	1348585524	QNBKTRVXXGRBNC-ZCFIWIBFSA-N	222.204	-0.375	50	10	BBGE	
CS[C@@H](C)C(=O)NNC(=O)c1ncccn1	1528986317	NOUNVOVXPKACKV-LURJTMIESA-N	240.288	-0.011	50	10	BBGE	
O=C(NNC(=O)C1(O)COC1)NC1CCCC1	1626223915	NQLNMXOAXBTMET-UHFFFAOYSA-N	243.263	-0.979	50	10	BBGE	
Cc1ncc(C(=O)NNC(=O)c2cc[nH]n2)[nH]1	1632704540	JQCXOTMJYJZLFR-UHFFFAOYSA-N	234.219	-0.484	50	10	BBGE	
O=C(NNC(=O)C(F)F)c1cc[nH]n1	1645304303	MBJQOIIZIIRBLY-UHFFFAOYSA-N	204.136	-0.564	50	10	BBGE	
C[C@H](O)[C@H](NC(=O)CBr)C(=O)O	1866000454	OKWJGDZHIIZLGX-UCORVYFPSA-N	240.053	-0.669	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Br	1877334900	VBRVFUAUDQHKRY-QYNIQEEDSA-N	232.077	-0.120	50	10	BBGE	
CNNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C	1880065863	ZVHGTWGRQUTKLM-ZETCQYMHSA-N	247.295	-0.630	50	10	BBGE	
CN(C[C@H]1C[C@@H]1Br)S(N)(=O)=O	1880431347	DNAWJCZPQDPMPQ-UHNVWZDZSA-N	243.126	-0.095	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)NC	1888572549	WUKVIVIJOISBJX-UHFFFAOYSA-N	209.271	-0.498	50	10	BBGE	
NC1CN(S(=O)(=O)NC[C@@H]2C[C@@H]2Cl)C1	1893127073	FRTAACPPJSQARU-FSPLSTOPSA-N	239.728	-0.909	50	10	BBGE	
O=C1CN(C[C@@H]2[C@@H]3CCO[C@@H]32)CC(=O)O1	1893935407	BSZPXHUCXAZNSR-PJKMHFRUSA-N	211.217	-0.593	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@](C)(O)[C@H](O)C1	1894992941	ULTIUWZRSQJMGD-OOZYFLPDSA-N	221.684	-0.042	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@H](C)C(=O)NN)C1	1896542793	HHLICWBBNTVPLR-DJLDLDEBSA-N	233.287	-0.329	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CS[C@H]2CC[C@H]2N)O1	1900454438	KYNAMPBBCNYWDX-HXFLIBJXSA-N	245.348	-0.253	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1cnsc1B(O)O	1900474655	JEAYHKFIFRCMOS-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
CN(NC(=O)C(C)(C)C#N)S(=O)(=O)C1CC1	1901359794	ZZCCAMJYTREILW-UHFFFAOYSA-N	245.304	-0.009	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)C[C@H]1CCO1	1901979172	IGBGUXSSBSURLS-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C=CCN(C)C(=O)c1csc(C)c1B(O)O	1902860403	XJNAJXGPOKVQQF-UHFFFAOYSA-N	239.105	-0.006	50	10	BBGE	
NNC(=O)COCCOCC1=CCCOC1	1905030088	XMTNLPAZCMKSGG-UHFFFAOYSA-N	230.264	-0.644	50	10	BBGE	
COCC[S@](C)(=O)=NCC1(C(=O)NN)CC1	1918073494	AKWPDSZLHYIZEO-INIZCTEOSA-N	249.336	-0.499	50	10	BBGE	
C[C@H](CN1CC[C@]2(CCC[C@@H]2O)C1)C(=O)NN	1918421859	VATWWZSTGYGNIM-JFGNBEQYSA-N	241.335	-0.151	50	10	BBGE	
CN(CC(N)=O)C(=O)NNC(=O)OC(C)(C)C	1923412588	BOIVGKSXSUQJSQ-UHFFFAOYSA-N	246.267	-0.447	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](CO)C(C)C	1928312649	BVVWECMCITXRMP-MRVPVSSYSA-N	234.321	-0.096	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC(O)C2)C1	1928569670	KTMZIWRBQNPWEW-ZETCQYMHSA-N	213.281	-0.788	50	10	BBGE	
C[C@H]1CCOC[C@@H]1N(C)CC(=O)NN	1932313921	RMZGEGIQVCPWDI-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](O)[C@H](F)C1	1936089703	DQLVJUYUZBFDCB-JQCXWYLXSA-N	231.271	-0.983	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]23CC[C@]2(COC3)C1	1937255564	YMKWTYFCECVBDJ-IEBDPFPHSA-N	225.292	-0.523	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](CO)C[C@@H]1C	1939638544	OXDMNHPURNPFOK-LPEHRKFASA-N	229.324	-0.152	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC2(CC(O)C2)C1	1942499347	KGQKNKPIAYZAKF-VIFPVBQESA-N	241.335	-0.152	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1950222638	GZKIEKRWHNCEOE-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
C[C@H](CN(C)C1C[C@@H]2COC[C@H]2C1)C(=O)NN	1950247716	ZNQWBHLZUVMHFV-OPRDCNLKSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@]2(C1)CC2(F)F	1950343539	GMZDHROGZUCCLD-HZGVNTEJSA-N	247.245	-0.082	50	10	BBGE	
C[C@H](CN(C)C[C@H]1C[C@@]12CCOC2)C(=O)NN	1950637866	DAANJDKMENCIEZ-CKYFFXLPSA-N	241.335	-0.029	50	10	BBGE	
O=C([C@H]1CC1(F)F)N1CC[C@@H](B(O)O)C1	1951322004	PSMITBHMOYKYIK-PHDIDXHHSA-N	218.996	-0.283	50	10	BBGE	
OC[C@H](Br)CCn1cnnn1	1952139942	KKCPPZZOSAMUQA-RXMQYKEDSA-N	221.058	-0.181	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](CN)C(C)C	1958089815	MEDAVFQQUAXXRU-MRVPVSSYSA-N	233.337	-0.130	50	10	BBGE	
CN(CCOCCCl)[C@H]1CC(=O)NC1=O	1961462109	QMSZNEPOUCPJBN-ZETCQYMHSA-N	234.683	-0.411	50	10	BBGE	
Cc1cc(N2CC[C@H]2C)ncc1B(O)O	1961718424	OOKIAOKYQBBEGM-MRVPVSSYSA-N	206.054	-0.332	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1	1976104755	VMYRISMBEINIKO-VQVTYTSYSA-N	244.678	-0.265	50	10	BBGE	
COC1(CN(C)CC(=O)NN)CCOCC1	1979281443	SUUGHFWTIOXBEV-UHFFFAOYSA-N	231.296	-0.896	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CCCCC(=O)NN	1979616398	QGLHDHLFNGNWQE-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CS[C@H]1CN(CCC(=O)NN)C[C@@H]1N(C)C	1980886072	BXFPVRANSAUSDP-IUCAKERBSA-N	246.380	-0.656	50	10	BBGE	
CCN(C(=O)NC(=O)CCl)[C@H]1CCNC1=O	1981050307	SSEULZPHLXCUFR-LURJTMIESA-N	247.682	-0.328	50	10	BBGE	
CC12CC(C1)N(c1ccncc1B(O)O)C2	1981414551	SWWFYWNAEADYTJ-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
OB(O)c1csc(OC[C@H]2CCCOC2)n1	1981424981	BAJURXSWOIVXPE-ZETCQYMHSA-N	243.093	-0.372	50	10	BBGE	
C[C@H]1COCCN(c2nc(B(O)O)cs2)C1	1981472883	USCLRLLWADWRIH-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N(C)C2CC2)C1	1981583127	FLMSSVKGECDUBG-JTQLQIEISA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@H](O)C[C@H]32)CC1	1984034330	QNFSHRZQGRUTHB-DJLDLDEBSA-N	225.292	-0.788	50	10	BBGE	
C[C@H](CN(C)[C@H]1COC2CC1C2)C(=O)NN	1986053044	ITBGLQWFXJDHQO-WOOKNIGNSA-N	227.308	-0.278	50	10	BBGE	
CC1(C)OCCO[C@H]1COCCC(=O)NN	1987315054	JHYIWAJXWSRAJQ-QMMMGPOBSA-N	232.280	-0.423	50	10	BBGE	
NC(=O)NNC(=O)c1ccn2cnnc2c1	1987711010	HWSFEXVRYQCVGL-UHFFFAOYSA-N	220.192	-0.958	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]2CC[C@H]2C1	1987899998	OLDWUWASDYBDKH-ZJUUUORDSA-N	227.308	-0.275	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)CCC(=O)N(C)C	1987931408	CLSZSUNDUWROBX-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(C(=O)[C@@H]3C[C@H]3Cl)C[C@@H]12	1991693043	KYDQUFNPLCLTQY-DBRKOABJSA-N	242.662	-0.655	50	10	BBGE	
C[C@@]1(CO)COCCN1C(=O)/C=C/C(=O)Cl	1991715112	PUFBCPMMTSASGX-VMZHVLLKSA-N	247.678	-0.082	50	10	BBGE	
CCC(CC)CNC(=O)NCC#CB(O)O	1992124964	LMKZLNBPSDEUMA-UHFFFAOYSA-N	226.085	-0.263	50	10	BBGE	
CCCOCCOC(=O)NCC#CB(O)O	1992126667	YCPLITBDGAJDHU-UHFFFAOYSA-N	229.041	-0.845	50	10	BBGE	
CC(C)C[C@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992145150	IRKNWCHPFPFKTF-UWVGGRQHSA-N	223.081	-0.200	50	10	BBGE	
C=C(CN(C)C1CCN(CC)CC1)B(O)O	1992159848	PESLETMGSIKBIX-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C[C@@H](SCCOC1CNC1)[C@H](C)C(=O)NN	1993411386	SFYQWFPSWMNDOK-JGVFFNPUSA-N	247.364	-0.278	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	1994021119	WHRPYOJSGUQIPB-JXUBOQSCSA-N	227.308	-0.542	50	10	BBGE	
CCCN1CCN([C@@H](CC)C(=O)NN)CC1=O	1996756259	QBRCKARIOLQYMR-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CC2CC1C2	2003506283	REKPNWAHKIEVNR-UHFFFAOYSA-N	235.291	-0.382	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1	2003976690	NKRGZLHDYSZHDG-OUAUKWLOSA-N	238.335	-0.608	50	10	BBGE	
CCCN(CC(F)F)c1ncncc1B(O)O	2004916883	RASCJEFZKDJABO-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
Cc1cc(N2CCO[C@H](C)C2)ncc1B(O)O	2004918938	RUWFCOPENJKUIL-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC(C)CC1CN(c2ncc(B(O)O)cn2)C1	2004919098	UMXJXAOQINMXCN-UHFFFAOYSA-N	235.096	-0.361	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@H]1CO[C@H](C)C1	2004935553	OSKPQMFOFJEWQO-PSASIEDQSA-N	237.064	-0.374	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)C[C@@H]2C)n1	2005014422	LKFYDQVXIHOKET-SFYZADRCSA-N	235.096	-0.300	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)C[C@H]2C1	2005993021	YSJSXGHKCQGSGA-ZRUFSTJUSA-N	241.335	-0.295	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC	2014232284	FMZDHNFDZCXWBP-VWYCJHECSA-N	240.351	-0.077	50	10	BBGE	
CCCN(C)C1CN([C@@H](COC)C(=O)NN)C1	2017464727	BWOHYIGLUBVBFC-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCCOC(C)C	2019211427	QBECYPBONJNYTP-UHFFFAOYSA-N	245.323	-0.099	50	10	BBGE	
CCN1CCN(CC(=O)NNC(C)=O)C[C@@H]1C	2019212998	UTSZIQRKCHTHAV-VIFPVBQESA-N	242.323	-0.820	50	10	BBGE	
C=C[C@@]1(CO)COCCN1[C@H](CC)C(=O)NN	2022251969	YUBIWVUNKSDPIT-MWLCHTKSSA-N	243.307	-0.996	50	10	BBGE	
Cc1nn(C)cc1COc1ccccc1B(O)O	2026960242	GRFZSTZVJBBLOB-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1ccn(CC2(C(=O)NN)CC2)c(=O)c1C#N	2041347951	GNMPPVNZMRJUMI-UHFFFAOYSA-N	246.270	-0.202	50	10	BBGE	
OB(O)c1cnccc1N1CCn2cccc2C1	2052490261	AKDHRMAENODJPE-UHFFFAOYSA-N	243.075	-0.417	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2052499144	OQUAWVUUQZXBDK-UJZKVOLQSA-N	246.075	-0.420	50	10	BBGE	
CCOc1c(F)ccc(B(O)O)c1[N+](=O)[O-]	2060121704	XHAXILRISGDEEB-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
Cc1cnc(N2C[C@H]3COCC[C@@H]32)c(B(O)O)c1	2073043285	NFSAXFVIHIHAMG-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccc(O)nn1	2076079501	QTMYCDNZERAIMS-ZETCQYMHSA-N	249.035	-0.987	50	10	BBGE	
N#Cc1cccc(NC(=O)NCC#CB(O)O)c1	2077441232	NVMDZRRTBHPPOF-UHFFFAOYSA-N	243.031	-0.305	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210691582	IOWWGWZWCHKHIL-IWSPIJDZSA-N	233.287	-0.594	50	10	BBGE	
CN(CC1(C(=O)NN)CCCC1)S(C)(=O)=O	2212442797	MHLZPVWPQLDMCT-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
C[C@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2212603427	FZPNSKGBLQHWTJ-CBAPKCEASA-N	222.053	-0.792	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1cc(B(O)O)ccn1	2212613042	QZPQWCDANBBSCY-WPRPVWTQSA-N	222.053	-0.649	50	10	BBGE	
CCc1nccnc1CN1CC(=O)OC(=O)C1	2215529311	NRLCKQKPUWKCES-UHFFFAOYSA-N	235.243	-0.076	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@H]2C[C@H]2C1=O	2215771230	GYODUECDYUGSGK-ZYUZMQFOSA-N	237.303	-0.129	50	10	BBGE	
CCN1CCN(C[C@H]2CC[C@H]2C(=O)NN)CC1	2215777038	QITWNANQIUUCPX-GHMZBOCLSA-N	240.351	-0.360	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2CCC=CO2)nc1	2217175422	IPFFOQOBJZLZTR-VIFPVBQESA-N	235.052	-0.739	50	10	BBGE	
CCN1CC[C@@H]1CNc1ncccc1B(O)O	2217177953	PKQYLKYIFXYLQZ-SECBINFHSA-N	235.096	-0.733	50	10	BBGE	
CC(C)NC[C@@H](C)Oc1cc(B(O)O)ccn1	2217191577	UEEVLZQCRRJWJZ-SECBINFHSA-N	238.096	-0.473	50	10	BBGE	
CCC[C@](C)(N)COc1ccc(B(O)O)cn1	2217191729	FHXWATQGAGKIJV-NSHDSACASA-N	238.096	-0.342	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2217196110	CSQPLEGVGQFHIF-MXHPPYTASA-N	230.076	-0.172	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@H]2CO3)c1	2217196794	USSRKYUPQUDSEN-UWVGGRQHSA-N	234.064	-0.871	50	10	BBGE	
Cc1ncnc(N(C)CC[C@@H]2C[C@H]2C)c1B(O)O	2220937270	OVUYVYWMGJESOM-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
Cc1cnc(NC[C@@H]2CN[C@H](C)C2)cc1B(O)O	2223641386	TWKLJMDZQBBLDF-ZJUUUORDSA-N	249.123	-0.520	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@H]2CCCN2)cc1B(O)O	2223651030	UMZJUPZQIBCBGF-JTQLQIEISA-N	249.123	-0.954	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@@H](Nc1cc(B(O)O)ccn1)C2	2223670835	DEMRLXQWMDRSKF-MVWJERBFSA-N	248.091	-0.259	50	10	BBGE	
CC12CC(CNc3ccc(B(O)O)cn3)(CO1)C2	2223671356	KNFDLGNGKSWOOR-UHFFFAOYSA-N	248.091	-0.258	50	10	BBGE	
C[C@H]1[C@H](O)CN1S(=O)(=O)N1CC(Cl)C1	2241348113	MEXIFXSFQGHEIG-CAHLUQPWSA-N	240.712	-0.781	50	10	BBGE	
OCC(CO)(CO)CN[C@H]1C[C@H](Cl)C1	2241669563	KOPNHMJPXZFCCI-ZKCHVHJHSA-N	223.700	-0.691	50	10	BBGE	
CN(C[C@H]1C[C@H]1Cl)CC1(O)CNC1	2241931456	NJJOYHVTGYPQTH-HTQZYQBOSA-N	204.701	-0.120	50	10	BBGE	
O=C(N1C[C@H](F)[C@@H](F)C1)C1(B(O)O)CCC1	2243346848	DNDGHNPROWLGGA-BQBZGAKWSA-N	233.023	-0.098	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(CF)C1	2243361442	BEWRRVMQNWMNDV-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
O=C(N=c1ccs[nH]1)c1ccoc1B(O)O	2243361922	JCMNZELHUHLQAZ-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)C1(B(O)O)CC1	2243364458	XJWYRPRQQSZNLW-JGVFFNPUSA-N	227.069	-0.371	50	10	BBGE	
O=C(N[C@@H]1[C@H]2COC[C@H]21)C1CC(B(O)O)C1	2243390732	AJHAQZDOQYOPIV-YFMYHVLESA-N	225.053	-1.000	50	10	BBGE	
CO[C@@H](CNC(=O)C1(B(O)O)CC1)C1CC1	2243398161	NNWODAQBNMFUOF-QMMMGPOBSA-N	227.069	-0.465	50	10	BBGE	
CS[C@@H]1CCC[C@@H](NC(=O)C#CB(O)O)C1	2243400140	WMXLKRVCORTIQH-RKDXNWHRSA-N	241.121	-0.208	50	10	BBGE	
CC1(CNC(=O)c2sncc2B(O)O)CC1	2243415479	VUKZBKAAKOWCRW-UHFFFAOYSA-N	240.093	-0.647	50	10	BBGE	
CCOCC(C)(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243425645	AKUFSNCFYDGQBN-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)s1	2244146264	XUHXPQKPJIGUMI-ZCFIWIBFSA-N	245.084	-0.142	50	10	BBGE	
CCN(CCF)C(=O)c1cocc1B(O)O	2244217983	UANKELPGRUHAGL-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
C[C@@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)co1	2244218975	CZUGQBQDHHHBNU-LDWIPMOCSA-N	223.037	-0.512	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@]12C[C@H](CO1)C2	2245239171	FKSCSHAOIPOXGE-WRXNHJIOSA-N	236.218	-0.193	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H](F)[C@H](F)C1	2247740581	MPKLJEJFFOWJHH-RNFRBKRXSA-N	244.990	-0.909	50	10	BBGE	
CCCCCNC(=O)c1ncc(B(O)O)cn1	2247745749	OLWVCKOEXJVNSJ-UHFFFAOYSA-N	237.068	-0.924	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247758512	ZYURMSHPGSLMOO-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C(=O)[C@H]1C	2247798009	PLLOPCGCBMFPBK-DKATWDMPSA-N	239.080	-0.120	50	10	BBGE	
CC(C)(CC(N)=O)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247805349	BMUNSHGLBDNXFJ-LJGSYFOKSA-N	242.084	-0.990	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247806532	FUKGTHFPZHVLGY-OPRDCNLKSA-N	241.096	-0.267	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@H](B(O)O)C1	2247809262	OKYQFBBULRXECR-GUBZILKMSA-N	241.096	-0.266	50	10	BBGE	
Cc1cc(C)nc(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2247809607	ZXSHCCGKZMYLKQ-YUMQZZPRSA-N	235.052	-0.105	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2247810113	UWEAUCBVGARXRA-IWSPIJDZSA-N	240.112	-0.504	50	10	BBGE	
COC1(CCNC(=O)C#CB(O)O)CCCC1	2247842655	YBFANMAMYYXXNV-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1ccoc1B(O)O	2247847655	ZWROQOUZQDXLNW-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
CCCN(C(=O)c1coc(B(O)O)c1)C1CC1	2247856360	IOSQHOGBQGJMQV-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
CNC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247860631	ZEEHYMWDHXHIRG-UTLUCORTSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CCCC[C@@H]1O	2247879769	VRKLGRRSXUIDQS-BDAKNGLRSA-N	241.096	-0.245	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@H]1CCO	2247892837	IPCSONLEMRCHMU-RTBKNWGFSA-N	241.096	-0.387	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCC[C@@H]1O	2247896141	XMTVOSXCOIOZCE-FTYOSLGDSA-N	241.096	-0.341	50	10	BBGE	
O=C(NC1CCC(CO)CC1)[C@@H]1C[C@@H]1B(O)O	2247897234	PSKDRNVWPJHZOF-BMNUFHGDSA-N	241.096	-0.483	50	10	BBGE	
CC(C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCO1	2247898343	CPTOULSGHJYNNC-HRDYMLBCSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](CCN(C)C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247900461	WYQCVJLXCDKFCZ-GUBZILKMSA-N	242.128	-0.304	50	10	BBGE	
CCCN(O)C(=O)Nc1ccccc1B(O)O	2247978195	SCSZQNHSPSFLDA-UHFFFAOYSA-N	238.052	-0.001	50	10	BBGE	
O=C(NCC(F)F)Nc1ccccc1B(O)O	2247978691	SNRDOAHNVNKGMB-UHFFFAOYSA-N	244.006	-0.247	50	10	BBGE	
O=C(O)C[C@@H]1CCCN1C(=O)C1(B(O)O)CC1	2248577771	OLBGQUPKRIJAPT-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
CC[C@@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2248586309	YYCMZLFOLPAMDB-FXQIFTODSA-N	243.068	-0.439	50	10	BBGE	
CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248587711	TVFSTJGENDBMOD-BIIVOSGPSA-N	243.068	-0.678	50	10	BBGE	
CCC1(OCc2cc(C(=O)NN)no2)COC1	2250813532	VGOAYQNZOSDEAO-UHFFFAOYSA-N	241.247	-0.026	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251003709	VXJLDZRSGHIEGT-QLEHZGMVSA-N	241.096	-0.389	50	10	BBGE	
OB(O)c1cccc(F)c1CN1CC(CF)C1	2251328117	NVFNPOGFUJNEGJ-UHFFFAOYSA-N	241.046	-0.093	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1C[C@@H]1B(O)O	2251442699	KNONLKBGVBFAKH-QCLAVDOMSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1ncccc1B(O)O	2255518781	OSHFCPCBZVKEBC-PELKAZGASA-N	246.075	-0.566	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2ncncc2B(O)O)C1	2255521170	SRVSCTPYIQVVFY-YUMQZZPRSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1C1CCC1)c1ccc(B(O)O)o1	2255676485	RALOKGFEHVLFOU-BDAKNGLRSA-N	249.075	-0.122	50	10	BBGE	
Cc1cccc(C(=O)N2C[C@H]3C[C@@H]3C2)c1B(O)O	2255736802	TWKSVZUREKNTSC-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
C=C1CC(C(=O)NCc2cccc(B(O)O)c2)C1	2256601205	ONYSOULFXZRADT-UHFFFAOYSA-N	245.087	-0.051	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ccc(B(O)O)cn1	2260398610	DZEAROPTXQXDBD-SECBINFHSA-N	248.091	-0.297	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298164683	ADVXSELOECHWJH-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
CC[C@@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CO1	2298369438	USINMKNRPQDLSZ-REIXXSIJSA-N	241.096	-0.077	50	10	BBGE	
CN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371886	YUEGXMRIQHUUQO-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298376002	BAFCTAKKWWAOTR-SPFKKGSWSA-N	238.096	-0.670	50	10	BBGE	
CC1(C)CNCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298376366	UCFCCDOUTJGZCZ-IWSPIJDZSA-N	240.112	-0.646	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CC[C@H](CO)C1	2300394237	SSKGHXROECIDBR-DCAQKATOSA-N	241.335	-0.293	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](C(=O)NCC=CB(O)O)CO2	2300482805	AXRHLYFGHRHGRJ-ATZCPNFKSA-N	239.080	-0.514	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12CCC(CC1)O2	2303103882	HOBUNNMUYNYFDN-SILCLGDVSA-N	239.080	-0.227	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)[C@H]1C[C@H]1N	2317307248	ZHRKOHNVBSFXSX-HNBZJPLGSA-N	249.075	-0.707	50	10	BBGE	
CNC1(CNc2ccc(C=O)c(B(O)O)c2)CC1	2317307800	FDHHFICEPJCKAQ-UHFFFAOYSA-N	248.091	-0.657	50	10	BBGE	
Cc1ccnc(OC[C@@H]2[C@H]3COC[C@H]32)c1B(O)O	2318950998	DQRPHFUFNASCFY-MYJAWHEDSA-N	249.075	-0.659	50	10	BBGE	
C[C@@H](NC(=O)C(C#N)=CNCCC#N)C(=O)O	2324982396	HEXWJFCJYHEARI-SSDOTTSWSA-N	236.231	-0.514	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1cccc(C)c1B(O)O	2327691147	BTCXBLKBIZEULY-SECBINFHSA-N	246.075	-0.182	50	10	BBGE	
NNC(=O)CCCn1ccc([N+](=O)[O-])n1	82471656	YLBIQNKAGXGQKZ-UHFFFAOYSA-N	213.197	-0.439	50	10	BBGE	
O=C(CCCl)N1CCN2C(=O)NC[C@H]2C1	85807850	WRZDIMAPPWHWPJ-ZETCQYMHSA-N	231.683	-0.149	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@@H]1CO	86313592	YZACHMYUWCMMHK-DJLDLDEBSA-N	215.297	-0.542	50	10	BBGE	
COCCCCN1CC(=O)OC(=O)C1	111218113	UGJKTYSYYDOWAY-UHFFFAOYSA-N	201.222	-0.202	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C[C@@H](C)C(=O)NN	134790638	DCANXVVLSFBJBD-VGMNWLOBSA-N	215.297	-0.278	50	10	BBGE	
CC(C)(CO)NC(=O)C(=O)NCCCl	170360032	ZPKUUZFPPMNOOI-UHFFFAOYSA-N	222.672	-0.772	50	10	BBGE	
CC[C@H](N)c1nnc(-c2cccc(B(O)O)c2)o1	211478271	DYJIMCBGCUTAOD-VIFPVBQESA-N	247.063	-0.174	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CC)CC(=O)NCC	211807733	BGPRAQGMOSRBNO-VIFPVBQESA-N	244.339	-0.397	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@@H](C(N)=O)C1	223064109	POZRNAIGYFRKBO-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
CC[C@@H]1CN([C@@H](COC)C(=O)NN)CCN1C	232420208	XMUPUOCBFDAPPH-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
O=C(NCCCl)N[C@@H]1CCNC1=O	238565990	XDEGJYASYGVPEC-RXMQYKEDSA-N	205.645	-0.587	50	10	BBGE	
O[C@H]1O[C@H](CCl)[C@H](O)O[C@@H]1CCl	238716908	OWWRQJHWBSJURG-KAZBKCHUSA-N	217.048	-0.115	50	10	BBGE	
CN1CCC(C(=O)NN)(c2cc[nH]c2)CC1	259022985	QASUFZKSZDIFLW-UHFFFAOYSA-N	222.292	-0.032	50	10	BBGE	
CC[C@@H](C)N(CCOC)[C@H](COC)C(=O)NN	300020849	RTEWBASLHUZAHG-NXEZZACHSA-N	247.339	-0.262	50	10	BBGE	
CN(CCCO)Cc1occc1C(=O)NN	300830274	OLHMXXIRFYJVBT-UHFFFAOYSA-N	227.264	-0.303	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](N)C1	306236715	OYDUHZNYGHJEJR-HTQZYQBOSA-N	200.286	-0.966	50	10	BBGE	
O=S(=O)(CCl)N1C2COCC1COC2	306742568	WCIPHDBPVOOXOR-UHFFFAOYSA-N	241.696	-0.388	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@H]1CN(C)NC1=O	307166825	QCDFTTZMMRMQDX-RITPCOANSA-N	219.672	-0.677	50	10	BBGE	
CC(C)C[C@@H]1CCN(C(=O)C(=O)NN)C1	307797581	VMEAHKWJJBDKJG-QMMMGPOBSA-N	213.281	-0.129	50	10	BBGE	
CC(=O)NCCSSC[C@H](N)C(=O)O	308542409	UMXDOOWQJQCXPN-LURJTMIESA-N	238.334	-0.084	50	10	BBGE	
CNCC(=O)NNC(=O)c1cccs1	308892480	XRCDCPULBAXIPD-UHFFFAOYSA-N	213.262	-0.272	50	10	BBGE	
CC(C)CNNC(=O)[C@H]1COCCN1	308910606	GCSPIVPREXXKQR-MRVPVSSYSA-N	201.270	-0.748	50	10	BBGE	
CCC(=O)ONc1ccc(B(O)O)cc1	308994407	WXNTWHBCAYOART-UHFFFAOYSA-N	209.010	-0.354	50	10	BBGE	
CC(=O)Oc1ccn2c(B(O)O)cccc12	309357516	JFFRDSYQULBZKZ-UHFFFAOYSA-N	219.005	-0.456	50	10	BBGE	
C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)B(O)O	310223513	NSYYAAGUDRGYOR-SCZZXKLOSA-N	236.080	-0.927	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	379746496	CCZUVCLVHBGWQT-JYRVZRIJSA-N	239.319	-0.544	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCN2CC[C@H]1C2	381793869	OASPOGYMMFCPMT-BBBLOLIVSA-N	226.324	-0.609	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@H](C)CCC(=O)NN)C1	383728255	WKNGUEVPZVRTCG-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
COC(=O)N1CCN([C@@H](C)CC(=O)NN)CC1	387220260	SIARSAQVRLDKAE-QMMMGPOBSA-N	244.295	-0.861	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@H](C(N)=O)C1	395612453	JZPCIRRDDZKSIW-HTQZYQBOSA-N	242.323	-0.802	50	10	BBGE	
CC(=O)Cc1ccc(CC#N)cc1B(O)O	396138284	OMNSKOBACHSERU-UHFFFAOYSA-N	217.033	-0.436	50	10	BBGE	
OCc1ccc(O)c2c(B(O)O)csc12	396334106	BRLKEKFENXOINF-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@H]1C[C@H](O)CN(CC(C)(C)C(=O)NN)C1	401687438	CTGNPDMLDVFJCN-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CN(C2CC2)CCN1C[C@@H](C)C(=O)NN	402796503	VJFDUFOPCQHKGY-ZJUUUORDSA-N	240.351	-0.219	50	10	BBGE	
CCN(C)C(=O)Nc1ccc(B(O)O)c(F)c1	405092264	WXEZDEQFEMKMIR-UHFFFAOYSA-N	240.043	-0.011	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)C(C)(C)CO	690901337	FXKYHQWCCHMNRI-MRVPVSSYSA-N	217.313	-0.152	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](CN)C1	695088909	WJYKKZDLRVSABG-UWVGGRQHSA-N	228.340	-0.328	50	10	BBGE	
CN1CCC(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	703438163	FDDDGNXLIXWAAK-UWVGGRQHSA-N	238.287	-0.003	50	10	BBGE	
OB(O)c1ccn(CC[C@@H]2CC2(F)F)n1	703686485	HBKRXOHDSSXPTE-ZCFIWIBFSA-N	215.996	-0.392	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(C)C[C@H]1C	704081104	JJNBJWUQOVZMEB-FXPVBKGRSA-N	229.324	-0.031	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](CO)[C@H](CO)C1	704722216	UMPWJAOEBDZACS-XHNCKOQMSA-N	218.684	-0.350	50	10	BBGE	
OB(O)c1ccncc1OC[C@@H]1CC1(F)F	714032472	IJTFIPVKJOLUFG-LURJTMIESA-N	228.991	-0.205	50	10	BBGE	
COC[C@@H](C(=O)NN)n1cc(C)nc1C	715070682	KOEQMWCBHSZLEW-QMMMGPOBSA-N	212.253	-0.323	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@@H](C1)C2(F)F	715398979	CLJKOCPVCHZQRK-PHDIDXHHSA-N	205.208	-0.437	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2COC[C@H]2C1	718163260	XXZJPSDEODRZKD-YIZRAAEISA-N	213.281	-0.667	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2COC[C@H]2C1	718251874	MEUPWLUNEHBYPL-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
Cc1cn(C)nc1CN(C)[C@@H](C)CC(=O)NN	723523422	HQGRKNDIUSTDLH-VIFPVBQESA-N	239.323	-0.071	50	10	BBGE	
O=C(C#CC1CCNCC1)NNc1ncccn1	852813086	BHNOKOMKIPQTGG-UHFFFAOYSA-N	245.286	-0.077	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CCCO1	863879295	XQKSCBGUYLSOGL-UHFFFAOYSA-N	221.021	-0.856	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1cccn1C	900002945	ZNZUNVNLBZSVTI-SGRBOOSSSA-N	237.259	-0.277	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)c1[nH]cnc1C	1293047129	ZHLGSTBECCMNPN-UHFFFAOYSA-N	248.246	-0.176	50	10	BBGE	
O=C(C[C@H]1CCNC1)NNc1ncccn1	1327918256	NXVJHMQJBXKICL-MRVPVSSYSA-N	221.264	-0.081	50	10	BBGE	
Cn1cc(C#N)c(=O)n(C/C=C/C#N)c1=O	1559353418	CULWIBFNHHOEJG-NSCUHMNNSA-N	216.200	-0.502	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)Cc2cnc[nH]2)cn1	1565851182	PPNBROCELVEEAD-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
CNC(=O)NNC(=O)c1ncc(OC)cc1F	1625507394	SEWMXAFSJKOJRP-UHFFFAOYSA-N	242.210	-0.197	50	10	BBGE	
CNC(=O)NNC(=O)CSC(F)F	1630973084	VSCFWRKSPZPSCP-UHFFFAOYSA-N	213.209	-0.098	50	10	BBGE	
CCN(CCO)NC(=O)c1ccc(C(N)=O)o1	1643678106	SRNZQPDLDVMODT-UHFFFAOYSA-N	241.247	-0.663	50	10	BBGE	
CC(N)=C(C#N)C(=O)CN1CCN(C)CC1	1876089249	QTNURVVBJWNPOY-UHFFFAOYSA-N	222.292	-0.441	50	10	BBGE	
OCC1(O)CN(C[C@H]2C[C@H]2Br)C1	1881371205	RKYBRYBZVLQPMS-RNFRBKRXSA-N	236.109	-0.191	50	10	BBGE	
Cn1cc(S(=O)(=O)NO)c(CCl)n1	1882237576	AIHSSXIMCAUAFN-UHFFFAOYSA-N	225.657	-0.174	50	10	BBGE	
OC[C@@H]1CNCCN1C[C@@H]1C[C@H]1Cl	1883566187	HQDPHOQSTAHZAK-XHNCKOQMSA-N	204.701	-0.120	50	10	BBGE	
OC[C@@]12C[C@H]1CN(C[C@H](O)CCl)C2	1883942758	KVUJUNARAUNDFZ-YIZRAAEISA-N	205.685	-0.100	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2NC(=O)O[C@@H]2C1	1884553571	JVHSYQUSLOZWLB-HCWXCVPCSA-N	218.640	-0.067	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CC#N	1888555118	UYDJJISRUWQGFL-UHFFFAOYSA-N	205.239	-0.787	50	10	BBGE	
CC[C@@](C)(COC1COC1)C(=O)NN	1891955818	BUGGBIBNDVRGPQ-VIFPVBQESA-N	202.254	-0.192	50	10	BBGE	
CO[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1F	1898821237	DNCKDYNKBITZLE-KVPKETBZSA-N	231.032	-0.955	50	10	BBGE	
O=C(CCCC(F)(F)F)NCB(O)O	1899231033	IHNXOQFMZGDSOW-UHFFFAOYSA-N	212.964	-0.153	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H]1CCNC1	1901341338	UAILSFSURXDZCT-QMMMGPOBSA-N	249.336	-0.703	50	10	BBGE	
COC1CN(CCNC(=O)/C=C/C(=O)Cl)C1	1901556615	HUDWFLWVFCVZGC-NSCUHMNNSA-N	246.694	-0.245	50	10	BBGE	
O=c1ccccn1Cc1nc(B(O)O)cs1	1902656932	OWRFJCSSBLLGPX-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
Cc1scc(C(=O)N[C@@H]2C[C@H]2F)c1B(O)O	1902860088	QGGIEGYKADPCSI-RNFRBKRXSA-N	243.068	-0.423	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@]2(C)C[C@@]2(CO)C1	1906338637	DUMQNSQGXWTCNF-XPXLGCRWSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3OCC[C@@H]3C2=O)CC1	1907023177	PPBGGWHLEYWPBZ-YUMQZZPRSA-N	239.275	-0.996	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1C[C@@H]2C[C@H]2C1	1913596022	PHQOOTUYMBSIEQ-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
CCN(Cc1cc(C(=O)NN)no1)OC	1928674719	BYGNTCDQZAXDMA-UHFFFAOYSA-N	214.225	-0.339	50	10	BBGE	
CC[C@@]1(CNC(=O)C(=O)NN)CCCO1	1929047735	KDGPWQWNEYZMAT-VIFPVBQESA-N	215.253	-0.948	50	10	BBGE	
COC[C@@H](O[C@@H]1CCCOC1)C(=O)NN	1932289522	FYBHERDBMBLLCX-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)CC1(C)COC1	1936087201	ATDDAFYYQKPCIG-DTWKUNHWSA-N	227.308	-0.419	50	10	BBGE	
CO[C@@H]1CCCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936093560	FRKTVKSPUFJXSI-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1936093927	IVCGCSGHNUHJIC-UTLUCORTSA-N	227.308	-0.277	50	10	BBGE	
CC(C)N(CCCO)C[C@H]1C[C@H]1C(=O)NN	1936095326	WACMAMCQQLNZRG-NXEZZACHSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@@H]1CN(CCn2cnnn2)C[C@@H]1Cl	1936883065	RJDXNXAZNQNSOW-DTWKUNHWSA-N	244.730	-0.474	50	10	BBGE	
CN(Cc1csnn1)C[C@@H]1C[C@H]1C(=O)NN	1937716472	UKWVWASJBFXTET-POYBYMJQSA-N	241.320	-0.404	50	10	BBGE	
CN(C[C@@H](O)C1CC1)CC1(C(=O)NN)CC1	1938234345	WKUIBTINBLMBQQ-SECBINFHSA-N	227.308	-0.541	50	10	BBGE	
CC(C)CN(CCO)CC1(C(=O)NN)CC1	1939256271	QKWCWYZZDIUXHB-UHFFFAOYSA-N	229.324	-0.293	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H](O)[C@@H](F)C1	1941011905	MAHLNLITDNGPPY-VHSXEESVSA-N	247.314	-0.059	50	10	BBGE	
CCN(CCCN(C)C)C[C@H]1C[C@H]1C(=O)NN	1941084870	ADIRYHOCEUHWOB-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN(CCCO)C1CCC1	1941090408	ZOHPHNHDAVDMCU-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
C[C@]1(OCCN2CC(=O)OC(=O)C2)CCOC1	1942430213	KLBQLLLWXNLKMO-NSHDSACASA-N	243.259	-0.433	50	10	BBGE	
COC[C@@]1(O)CCCN(C[C@@H](C)C(=O)NN)C1	1946461172	WBJUDQUBNNXAOQ-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
COC[C@]1(OC)CCN(C[C@H](C)C(=O)NN)C1	1946475493	TWKBXAUSPRAEID-ONGXEEELSA-N	245.323	-0.650	50	10	BBGE	
COC1(C(N)=O)CN(C[C@H](Cl)C#N)C1	1955617093	IJYFJPQPCDXNDH-ZCFIWIBFSA-N	217.656	-0.697	50	10	BBGE	
N#C[C@@H]1CCN(S(=O)(=O)NCCCl)C1	1956213662	SJSHWVMYEMCPFZ-ZETCQYMHSA-N	237.712	-0.095	50	10	BBGE	
O=C(C[C@H]1CNC[C@H]1O)NCC(Cl)Cl	1957225291	HCCJMVIJJVHHLD-NTSWFWBYSA-N	241.118	-0.123	50	10	BBGE	
N#C[C@H](Cl)CN1CCC[C@@](O)(CN)C1	1957256754	OREJXDBHUWOVBQ-DTWKUNHWSA-N	217.700	-0.097	50	10	BBGE	
CCN(CCCCO)C[C@@H](C)C(=O)NN	1958353466	ZSDFPVDSMHTLEP-SECBINFHSA-N	217.313	-0.293	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](F)[C@H](F)C1	1960933967	RROZNRWGHXEMDW-PRJMDXOYSA-N	221.251	-0.007	50	10	BBGE	
NNC(=O)C1(CN2CCO[C@@H]3C[C@@H]32)CC1	1961509856	WLKWZNRIRZGUFD-JGVFFNPUSA-N	211.265	-0.770	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC[C@H]1CCO	1961684291	OCJRVTZKIKMPOC-IUCAKERBSA-N	215.297	-0.683	50	10	BBGE	
OB(O)c1csc(N2CCC[C@@H]3C[C@@H]32)n1	1961718083	JVZYWIZKGWJXHA-RQJHMYQMSA-N	224.094	-0.188	50	10	BBGE	
Cc1cnc(N(C)C2CC2)c(B(O)O)c1	1961719226	ZXLSSVVXHRGLOX-UHFFFAOYSA-N	206.054	-0.332	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@H]1C[C@@H]1CCl	1962199723	KYGBGULXLUMWTL-RNFRBKRXSA-N	229.671	-0.336	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1CCn2nnnc2C1	1974681935	UFBPLVCVNXBVTK-WDSKDSINSA-N	229.671	-0.269	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1OCC[C@H]1F	1975257249	OKIKGNRUXCQSCA-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
CON(CC1(C(=O)NN)CC1)[C@H]1CCOC1	1978750666	OSOIUMLBKNKNKN-QMMMGPOBSA-N	229.280	-0.591	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)Cc1ccsc1	1981026355	OWKNUDWZHCIRQK-QMMMGPOBSA-N	243.332	-0.079	50	10	BBGE	
OB(O)c1csc(N2CC[C@@]23CCOC3)n1	1981470991	FWQJYKYPJGVOMF-VIFPVBQESA-N	240.093	-0.808	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCC1(C(N)=O)CC1	1983759631	XCJYCPIZEGTIKH-YFKPBYRVSA-N	247.682	-0.295	50	10	BBGE	
CNC(=O)N(C)[C@H](C)c1cscc1B(O)O	1987162004	PVCYKFJSUBWDJA-ZCFIWIBFSA-N	242.109	-0.240	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]1C(C)(C)O	1989116668	GIQNPHCEPDFFAM-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN(C)C2	1997866911	XPSAODPGMJBEAZ-GARJFASQSA-N	240.351	-0.363	50	10	BBGE	
CON(C[C@H]1C[C@H]1C(=O)NN)C1CCOCC1	2000669938	JUBRQOQZHCEHDZ-PSASIEDQSA-N	243.307	-0.345	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@H]1CCCNC1=O	2004308758	DSQUBFRGPDDKHY-IUCAKERBSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@]12C[C@H]1CN(c1ncncc1B(O)O)C2	2004912319	RGWGIPNOGDRWND-KWQFWETISA-N	233.080	-0.607	50	10	BBGE	
CC[C@@](C)(COc1ncncc1B(O)O)OC	2004934832	IVSWNQMSQYUCGY-JTQLQIEISA-N	240.068	-0.650	50	10	BBGE	
Cc1nc(N2CCC[C@H]2CF)ncc1B(O)O	2004971309	PMJXSKPZRLXBNY-QMMMGPOBSA-N	239.059	-0.597	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cc2F)C[C@@H]1F	2005017651	IHVSGTRPRTUHML-RCOVLWMOSA-N	242.034	-0.305	50	10	BBGE	
Cc1cc(N2C[C@H](C)[C@@H](F)C2)ncc1B(O)O	2005018480	UPHCNUHRVHPOCY-WPRPVWTQSA-N	238.071	-0.136	50	10	BBGE	
CCOC1(CO)CN([C@@H](C)CCC(=O)NN)C1	2005153856	QJCOPQSZUWMMPF-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1OCc2ccccc21	2012111657	XTNCFLXDHIMHMX-VIFPVBQESA-N	235.243	-0.636	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H](O)[C@@H]1C1CC1	2014007046	NRCJXPLYDFGKMX-SFYZADRCSA-N	249.261	-0.543	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@@H](N(C)C(=O)C(=O)NN)C[C@H]21	2016050716	LRZXCYWUFGSAJO-JQCXWYLXSA-N	241.291	-0.752	50	10	BBGE	
CCO[C@@H]1C=CCN(CC(=O)NNC(C)=O)C1	2019208148	FMRXPRKNQYMGRT-SNVBAGLBSA-N	241.291	-0.569	50	10	BBGE	
C=C(Cn1ncc2ccccc2c1=O)B(O)O	2021159834	ZXMLMMTYTDKRAH-UHFFFAOYSA-N	230.032	-0.035	50	10	BBGE	
CC#CCN(C)C(=O)c1ccccc1B(O)O	2022199643	HLRLANWROAYYRV-UHFFFAOYSA-N	231.060	-0.538	50	10	BBGE	
COC(C)(C)C1CCN(C(=O)C(=O)NN)CC1	2023315893	FPMWYLJHXMTFNM-UHFFFAOYSA-N	243.307	-0.360	50	10	BBGE	
CC1(C)CC[C@H](CO)N1CCOCC(=O)NN	2025475164	CSTDFJWUYWIKFS-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]21	2040233077	UXBNKQFQQIYDRD-YIZRAAEISA-N	246.075	-0.254	50	10	BBGE	
CN1CCN(c2ccncc2B(O)O)[C@@H]2CC[C@H]21	2052493288	VHGVVGYTVCLBLT-VXGBXAGGSA-N	247.107	-0.956	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCC2(COC2)C1	2052626022	AGEYZJARNRAPSN-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1cccn2cnnc12	2056958847	WIBSEGAUZIKEEQ-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
COc1cc(B(O)O)cc(C#N)c1Cl	2060102259	DECMXWZJTPEFRC-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCC[C@H]3C2)nc1	2065200763	ZRDDINGYULOVSD-UWVGGRQHSA-N	247.107	-0.217	50	10	BBGE	
OB(O)c1cccc(COCc2cncnc2)c1	2080319212	OXFLAGCMXMQGNR-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
CC[C@H](Nc1ncccc1B(O)O)[C@H](C)O	2212603420	FXUMMWRPOBKMFT-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@H]1CC[C@@H]1C(=O)NN	2215777377	SHRATZAJGFXNOV-YIZRAAEISA-N	241.291	-0.750	50	10	BBGE	
NC[C@@H]1CC[C@@H](Oc2ncccc2B(O)O)C1	2217174644	WTGOIKQDTZWJJB-RKDXNWHRSA-N	236.080	-0.732	50	10	BBGE	
C[C@@H](CN)C[C@@H](C)Oc1ncccc1B(O)O	2217174864	ZRYFNMSXLOJGPY-RKDXNWHRSA-N	238.096	-0.486	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1c1cc(B(O)O)ccn1	2217179842	BYTPCQXNFGPMAE-SCZZXKLOSA-N	236.080	-0.889	50	10	BBGE	
C[C@H](CCN=c1ccc(B(O)O)c[nH]1)C(F)F	2217182522	DQDSJVCPIAMAPZ-SSDOTTSWSA-N	244.050	-0.114	50	10	BBGE	
C[C@H]1CCN[C@@H]1CNc1ncccc1B(O)O	2217183329	HKABZSWVSYXAIE-WCBMZHEXSA-N	235.096	-0.829	50	10	BBGE	
C[C@H](Oc1nccc(B(O)O)c1F)[C@@H]1C[C@H]1N	2217192558	OMVDECFIEPRACR-VMHSAVOQSA-N	240.043	-0.985	50	10	BBGE	
C[C@H](CCCCO)Nc1ncc(B(O)O)cn1	2217203261	RVKGEZIPWZHYIM-MRVPVSSYSA-N	239.084	-0.881	50	10	BBGE	
CN(Cc1cocn1)c1cc(B(O)O)ccn1	2217204553	LMVNYQIYVGWGKK-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
C#C[C@H]1COCCN1Cc1cccc(B(O)O)c1	2221481857	CSYZNVFAKITJEL-ZDUSSCGKSA-N	245.087	-0.800	50	10	BBGE	
Cc1ncn(C)c1CNc1ccc(B(O)O)cn1	2223650826	RKWDIJZIHNNREN-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2C[C@@H]3O)cc1B(O)O	2223653174	PGRKIJPGIILEGC-YWVKMMECSA-N	248.091	-0.971	50	10	BBGE	
OB(O)c1ccnc(N2CC(n3cccn3)C2)c1	2223670930	FMMQUIPDYSYTOE-UHFFFAOYSA-N	244.063	-0.981	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H]2CCCCN2)c1	2223671336	KEZNFSAXCPMPJR-NSHDSACASA-N	249.123	-0.295	50	10	BBGE	
NC[C@@H]1CCC[C@@H](Nc2ncccc2B(O)O)C1	2223674610	MGNXGUROGKHNKQ-NXEZZACHSA-N	249.123	-0.309	50	10	BBGE	
C#C[C@H]1CCCCN(c2ncc(B(O)O)cn2)C1	2223677166	KMQMLOVJHBXKKJ-JTQLQIEISA-N	245.091	-0.604	50	10	BBGE	
NC[C@@H](O)CC(=O)N[C@H]1C[C@H](Cl)C1	2241654369	VSUWWJILTYLLBU-ACZMJKKPSA-N	206.673	-0.418	50	10	BBGE	
OC[C@H](O)[C@@H]1CCN1C[C@@H](O)CCl	2241810501	FBNHMGPWFNHVEY-FXQIFTODSA-N	209.673	-0.986	50	10	BBGE	
CO[C@@H](CCl)CNS(=O)(=O)N1CCC1	2242440263	QEXADWBBYJWMGV-ZETCQYMHSA-N	242.728	-0.220	50	10	BBGE	
Cn1c(=O)c(F)c(O)n(C[C@@H](Cl)C#N)c1=O	2243057958	DQQNCYGSJSZKCY-BYPYZUCNSA-N	247.613	-0.477	50	10	BBGE	
NNC(=O)COC[C@]12C[C@](C(F)F)(CO1)C2	2243185447	WPENMTNXEHWOCK-KYZUINATSA-N	236.218	-0.193	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCN1	2243396376	LMAYRIKPVWFTON-YUMQZZPRSA-N	226.085	-0.940	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H](C)O	2243398101	MNRMIBRSBBKCEU-HTQZYQBOSA-N	229.085	-0.341	50	10	BBGE	
CC(C)(CN)CNC(=O)C1(B(O)O)CCC1	2243409909	QZOVGGYOVXBYPQ-UHFFFAOYSA-N	228.101	-0.515	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(O)C1CCOCC1	2243427533	WYGLZKGSVFEVSI-YUMQZZPRSA-N	229.041	-0.754	50	10	BBGE	
NC[C@H]1CC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243427740	ZWTFAYPBRZEDIO-FNCVBFRFSA-N	226.085	-0.907	50	10	BBGE	
O=C(CC1COC1)N1CCC(B(O)O)CC1	2244176396	HJTWVWIYZUCYIQ-UHFFFAOYSA-N	227.069	-0.512	50	10	BBGE	
N[C@H]1CC[C@H]1Oc1cc(B(O)O)c(Cl)cn1	2245913009	KQXUPTVRYQDALY-JGVFFNPUSA-N	242.471	-0.717	50	10	BBGE	
CN(CCC1CC1)C(=O)c1ccc(B(O)O)o1	2247740407	KAMTWPAELBSWPU-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CN(CC12CC(C)(CO1)C2)C(=O)C#CB(O)O	2247742419	OLZNJKJGSXLTEJ-UHFFFAOYSA-N	237.064	-0.971	50	10	BBGE	
C[C@]1(CO)CCCN(C(=O)C2(B(O)O)CC2)C1	2247755922	RHNUQXYMZXHRKS-JTQLQIEISA-N	241.096	-0.386	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(C)cc1B(O)O	2247761099	QWDMPZNQDVJAQS-SECBINFHSA-N	231.060	-0.574	50	10	BBGE	
C[C@H]1NCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247785089	FUZLREZTBYCQLR-KYXWUPHJSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)C1CC(B(O)O)C1	2247793739	ZOTWLOGQNBTXLA-PQLWYXDDSA-N	239.080	-0.467	50	10	BBGE	
CCCCCNC(=O)c1cn(C)nc1B(O)O	2247795169	DNMAMYQESPDHOB-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
CC(C)[C@H](O)CN(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247803293	AKXCXMGLKWTFJD-OPRDCNLKSA-N	243.112	-0.285	50	10	BBGE	
O=C(NCCCN1CCCC1)[C@H]1C[C@H]1B(O)O	2247804939	IUMKFYVSLANMDB-VHSXEESVSA-N	240.112	-0.549	50	10	BBGE	
CC1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247805333	BIWXBXXGRMOVJK-IUCAKERBSA-N	241.096	-0.123	50	10	BBGE	
CCC(CC)(CN)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247810067	ULTRSTRPCCQVEA-IUCAKERBSA-N	242.128	-0.175	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N(C)CCC#N	2247867781	MHOUQTLXMWXVPE-UHFFFAOYSA-N	236.036	-0.747	50	10	BBGE	
COCCC1CC(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247898157	AUFKYUCLJLZTOT-HORUIINNSA-N	241.096	-0.219	50	10	BBGE	
CCOC1(CNC(=O)C2CC(B(O)O)C2)CC1	2247905655	VLKQOWYDCYTBPB-UHFFFAOYSA-N	241.096	-0.075	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1CC1(C(=O)NN)CCC1	2251031831	YJXGBTJEVDIFEV-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(C)N(O)C(=O)c1ccccc1B(O)O	2252740034	MKDHQSRZTUOGFU-UHFFFAOYSA-N	237.064	-0.004	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@@H]2CCCCCC[C@H]21	2255470057	XUOLXZVLVCWQIU-NXEZZACHSA-N	249.075	-0.290	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC2[C@H]3CC[C@H]23)c1	2255511010	DDMVUAMBEGXZGG-QWRGUYRKSA-N	245.087	-0.187	50	10	BBGE	
Cc1ncc2c(n1)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2255571121	MKIXJKZXLWUKOE-BDAKNGLRSA-N	247.063	-0.510	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)o1)c1ccnnc1	2255673010	NIKJVEUMTNDRIB-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1C(=O)C[C@H]1C	2255683155	RMHQADOXOLHZHS-MRVPVSSYSA-N	247.059	-0.564	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1cccc(F)c1B(O)O	2255719501	KNHPOHQYDUBXMU-SECBINFHSA-N	249.050	-0.212	50	10	BBGE	
C=C(C)CONC(=O)c1c(C)cccc1B(O)O	2255735410	SRKMTXVLRQNHAG-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
COc1ccc(C(=O)N[C@H]2C[C@H]2C)c(B(O)O)c1	2255790138	SOUQITAHHKOURX-HQJQHLMTSA-N	249.075	-0.487	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)cc1O	2255953565	KOSNTBJAVDZYSF-SFYZADRCSA-N	249.075	-0.448	50	10	BBGE	
C#C[C@H]1CC[C@@H](NC(=O)c2cocc2B(O)O)C1	2258140440	CJXJEIUFXZYZRW-DTWKUNHWSA-N	247.059	-0.509	50	10	BBGE	
C#CCC(=O)NCc1ccc(B(O)O)c(OC)c1	2260907684	VOKBNAHVXSEZLS-UHFFFAOYSA-N	247.059	-0.986	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)O)CO[C@@H]1C2	2298336542	XEUKFRRBRRRJCC-XSSZXYGBSA-N	243.263	-0.606	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]2CC[C@H]1O2)[C@@H]1C[C@H]1B(O)O	2298369827	GVTFXOFSXAIMPS-JDDHQFAOSA-N	239.080	-0.467	50	10	BBGE	
O=C(NC[C@H]1[C@H]2OCCC[C@H]12)[C@H]1C[C@H]1B(O)O	2298377348	NPFSNRPJQRIVMB-ZOZBQHSOSA-N	239.080	-0.610	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1C[C@@H]2N(C)C)C(=O)NN	2302403495	MALTVUUIOAPDAN-ZNSHCXBVSA-N	240.351	-0.363	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2302494775	KUYPOEFABJCCOS-AXFHLTTASA-N	243.351	-0.049	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CC[C@@](C)(B(O)O)C2)CO1	2303110075	XERNSVIPMDBEKH-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1cc(N[C@]23COC[C@H]2C3)ncc1F	2303836998	UNSFMAQCLCYXHC-LHLIQPBNSA-N	238.027	-0.899	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1cc(B(O)O)c(F)cn1	2303848000	RRAXDLRIFMOVQV-RQJHMYQMSA-N	242.059	-0.671	50	10	BBGE	
C[C@H]1OCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303848120	UGHHVQNDJRDULC-MUWHJKNJSA-N	240.043	-0.510	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H](C(F)(F)F)C1	2307503695	QZSCPZKDLHDOPW-KNVOCYPGSA-N	248.997	-0.294	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Oc1ccc(B(O)O)cn1	2312614486	QWLNMCVZYHOMKB-HLFFCZDVSA-N	248.091	-0.734	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]c1	2312615010	VUERXXOIKXLOBO-AEJSXWLSSA-N	245.091	-0.798	50	10	BBGE	
CC(=CCNC(=O)c1cc(B(O)O)n[nH]1)C1CC1	2315253737	HHWFTCYFKSXIOV-UHFFFAOYSA-N	249.079	-0.824	50	10	BBGE	
O=C/C(O)=C/Nc1nc2[nH]cnc2c(=O)[nH]1	33753756	BQELTNHOTGNIPS-RJRFIUFISA-N	221.176	-0.344	50	10	BBGE	
CC[C@@H]1COCCN1[C@@H](C)C(=O)NN	82468004	WVCDQWNAGQBESK-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCO[C@H](C)C1	82469318	QOCVMBFVXWOBBT-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1CN([C@@H](C)C(=O)NN)CC(C)(C)O1	82470071	SYBFJZRAYAUTRO-YUMQZZPRSA-N	215.297	-0.136	50	10	BBGE	
NNC(=O)CN(CCO)C1CCCC1	82470088	VTVYYMRANBWQTI-UHFFFAOYSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](Cn1cnc([N+](=O)[O-])c1)C(=O)NN	82471304	AXAOJBBXLZDXCB-RXMQYKEDSA-N	213.197	-0.583	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](N2CCCC2)C1	110581876	UVJPDVFOEXAEIL-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
O=C1NC(=O)N(COCCO)C[C@@H]1Cl	211394826	AJHVHXGYPPBOKR-YFKPBYRVSA-N	222.628	-0.888	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CC(=O)N(C)C	211988431	LEHMTRMOQXQQEB-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
CC(=O)NC1CCN(CCCC(=O)NN)CC1	228341275	VRJVQKMEEOGEBJ-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@](C)(O)C1	233356566	GJIWBIDHLQXXEI-WCBMZHEXSA-N	215.297	-0.398	50	10	BBGE	
CC[C@H]1OCC[C@@H]1C(=O)NNC(N)=O	234094811	DUBLMJKXNMYFFN-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
CS[C@H]1CCC[C@H](NC(=O)C(=O)NN)C1	235212892	DLLYIMFBXBWXEF-BQBZGAKWSA-N	231.321	-0.233	50	10	BBGE	
O=C(F)[C@H]1C[C@@H](O)CN1C(=O)CCl	238686916	FNTAOADEPLGZID-RFZPGFLSSA-N	209.604	-0.317	50	10	BBGE	
COc1ccc([C@H](N)C(=O)NN)cc1F	258968822	HTKCUKBIGKWBJP-QMMMGPOBSA-N	213.212	-0.176	50	10	BBGE	
COCC[C@H](CO)NS(=O)(=O)CCCl	300857255	LSCWSZICGJSWHE-SSDOTTSWSA-N	245.728	-0.458	50	10	BBGE	
CCN1CCN(C[C@H](O)CCl)S1(=O)=O	308588483	NIKBOLGMOSSQAH-SSDOTTSWSA-N	242.728	-0.532	50	10	BBGE	
CO[C@H]1COCC[C@H]1N1CC(=O)OC(=O)C1	310192912	XYZARMQOPDPSOV-SFYZADRCSA-N	229.232	-0.824	50	10	BBGE	
O=C(O)Cn1cc(-c2cccc(B(O)O)c2)cn1	385077312	VQBVLEKGBMJNEU-UHFFFAOYSA-N	246.031	-0.686	50	10	BBGE	
Nc1csc2c(B(O)O)ccc(C(=O)O)c12	396248859	VQMJDAIDEMHRNM-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CC[C@@H](O)[C@H](N)c1ccc(B(O)O)cc1	396489267	LZRKVILHLYKXKH-NXEZZACHSA-N	209.054	-0.863	50	10	BBGE	
O=C(C[C@@H]1CCOC1)Nc1ccc(B(O)O)cc1	404976675	YNRUYTCMUISGPB-VIFPVBQESA-N	249.075	-0.269	50	10	BBGE	
C#CCOC(=O)N(C)Cc1cccc(B(O)O)c1	405150739	QZCBXOFWGCJMDU-UHFFFAOYSA-N	247.059	-0.432	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)CC(N)=O	492932805	WDGBLRTWCTULDQ-UHFFFAOYSA-N	217.225	-0.582	50	10	BBGE	
NC(=S)NNC(=O)c1ccns1	606276224	BWKIQELYVCBYSG-UHFFFAOYSA-N	202.264	-0.379	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1N(C)C(=O)C(=O)NN	688150138	YQLINXIMFCKRPC-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)[C@@](C)(CO)C1	694723082	BZJLMQWUOSOKKZ-LDYMZIIASA-N	243.307	-0.896	50	10	BBGE	
NNC(=O)C(=O)N1[C@H]2CC[C@H]1CC1(CC1)C2	699596127	VDAAZPWERZAABK-YUMQZZPRSA-N	223.276	-0.090	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](OC(C)C)C1	701686480	SZRHMLOIESUQFB-VHSXEESVSA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](N2CCC2)C1	705307030	VLZAODPLGDALKT-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
CCC1(O)CCN([C@@H](C)C(=O)NN)CC1	707246723	GVXUFYVYFJOHCK-QMMMGPOBSA-N	215.297	-0.398	50	10	BBGE	
CC(C)(C)OC1CN(C(=O)C(=O)NN)C1	707347249	QDVBSRRYVFPRLQ-UHFFFAOYSA-N	215.253	-0.998	50	10	BBGE	
NNC(=O)CN1C[C@@H]2CSC[C@H]2C1	711524012	DBJVYIVWHUJNKU-RNFRBKRXSA-N	201.295	-0.729	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2CCCC[C@@H]21	712568590	RSDCCDQJBMBVMB-GJMOJQLCSA-N	211.265	-0.329	50	10	BBGE	
COCCC(=O)N1Cc2cccc(B(O)O)c2C1	713269525	JJISCDVLXGCRGZ-UHFFFAOYSA-N	249.075	-0.755	50	10	BBGE	
C[C@H](CN1C[C@@H]2[C@H](C1)C2(F)F)C(=O)NN	715400483	GVQIPRBAHQWNPB-QYNIQEEDSA-N	219.235	-0.191	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC[C@@H](C3CC3)O2)c1	715471896	KUYHIJUYQQIXKR-QWRGUYRKSA-N	236.080	-0.480	50	10	BBGE	
NNC(=O)c1nc(CN2CC[C@H]3C[C@@H]32)ns1	724324793	PFNNBPMQSWUQQR-WDSKDSINSA-N	239.304	-0.264	50	10	BBGE	
O=C(CC1COC1)NNC(=O)c1ccccn1	769675903	DFERIQRXAYBMIR-UHFFFAOYSA-N	235.243	-0.121	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H]2CCO[C@@H]2C)n1C	856047547	VZBXQTFQLKSSKD-SVRRBLITSA-N	239.279	-0.008	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/[C@H]1COC(C)(C)O1	1136378293	FDYQRTHDYRRVIM-KPJROHGDSA-N	243.263	-0.346	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H](NC(N)=O)C(C)C	1143302638	AGPCRRNPUXZVFZ-QMMMGPOBSA-N	246.311	-0.975	50	10	BBGE	
CCN1CC[C@@H]1C(=O)NNC(=O)c1cccnn1	1303113642	URTXNBYUJBAUMX-SECBINFHSA-N	249.274	-0.668	50	10	BBGE	
CN(NC(=O)c1cc(C#N)ccn1)C(N)=O	1322812224	SHOGSXPUQSKCSM-UHFFFAOYSA-N	219.204	-0.391	50	10	BBGE	
CO[C@@H]1COCC[C@H]1CC(=O)NN(C)C(N)=O	1446344628	YREBSLALJLGTCM-JGVFFNPUSA-N	245.279	-0.530	50	10	BBGE	
CC(C)[C@H](O)C(=O)NNC(=O)c1cnsn1	1471779237	PBACQUHZXLEXMV-LURJTMIESA-N	244.276	-0.684	50	10	BBGE	
COCCCC(=O)NNC(=O)c1ncon1	1536938199	TWXRRFWLCLCCGD-UHFFFAOYSA-N	228.208	-0.743	50	10	BBGE	
Cc1nnc(CCC(=O)NNC(=O)C2CC2)o1	1540362038	SQJCVYKDMDSKHC-UHFFFAOYSA-N	238.247	-0.132	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1cc(C)[nH]n1	1556054902	UIVIJKIGXBNDCW-SSDOTTSWSA-N	224.220	-0.974	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NN=c1cc[nH]cc1	1567459196	ZYSLJQHRUJVEJC-XADBCAIWSA-N	207.233	-0.116	50	10	BBGE	
CNC(=O)NNC(=O)c1ncccc1N	1625508221	XAJDDDQATQKWFP-UHFFFAOYSA-N	209.209	-0.762	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1cnn[nH]1	1627298324	KAXAIAOZMUVGDQ-UHFFFAOYSA-N	236.191	-0.824	50	10	BBGE	
CC(=O)NNC(=O)[C@@H]1C[C@@H]1Br	1877404897	QBKWXBZAJXWZQU-UHNVWZDZSA-N	221.054	-0.063	50	10	BBGE	
NC[C@H](OC[C@@H]1C[C@@H]1Br)C(N)=O	1877426574	MGKNKRKCQCPXRY-ZLUOBGJFSA-N	237.097	-0.401	50	10	BBGE	
N[C@H](CCO)C(=O)NCC(Cl)Cl	1881239237	VMPXUVVOCFHEFA-SCSAIBSYSA-N	215.080	-0.384	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@]2(CCOC2)C1	1885212365	QKXJVQWXMHHVKI-HTRCEHHLSA-N	201.226	-0.893	50	10	BBGE	
O=C1NCCN(C[C@H]2C[C@@H]2Br)C1=O	1891863433	YXKLWZAAHKLALX-RITPCOANSA-N	247.092	-0.272	50	10	BBGE	
COC(=O)[C@H](O)CNC(=O)[C@H]1C[C@H]1Cl	1893473984	CRKVSXYCLQXWCL-KVQBGUIXSA-N	221.640	-0.736	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1C[C@H]1CF	1896701086	JRYBJQFSLXVYGB-CRCLSJGQSA-N	244.056	-0.633	50	10	BBGE	
C[C@H](N)[C@H](C)C(=O)NN(C)S(=O)(=O)C1CC1	1901349302	XQPIFEKADHGFIB-BQBZGAKWSA-N	249.336	-0.575	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCNC1CC1	1901374817	HHDAMXXPYGQSHA-UHFFFAOYSA-N	249.336	-0.559	50	10	BBGE	
C[C@@H](CCCC(=O)NN)SCCNCCN	1901753611	XQKQMPHAOLJHQY-VIFPVBQESA-N	248.396	-0.183	50	10	BBGE	
NC(=O)C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1Cl	1902758300	NQRWSESOXHDGJI-CSMHCCOUSA-N	245.710	-0.711	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]3CC[C@@H]32)c1B(O)O	1907077589	WGUIWUCVHMREBT-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
C[C@H](Cn1cc(Cl)c(O)nc1=O)C(=O)NN	1912220945	JYHYNRKOJLZSPF-SCSAIBSYSA-N	246.654	-0.772	50	10	BBGE	
NC(=O)NNC(=O)C1CC2(CCCO2)C1	1912634413	OFKJRHGNJXBLCJ-UHFFFAOYSA-N	213.237	-0.355	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)[C@@H]1CCNC1=O	1916840728	XXTITPSUDZELTM-PHDIDXHHSA-N	204.657	-0.039	50	10	BBGE	
N#CC1=CCN(C(=O)c2nn[nH]n2)CC1	1917060921	OCHNFTZLLIWWOM-UHFFFAOYSA-N	204.193	-0.504	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)C(=O)O1	1927915882	AJDXBTXLJKHTKZ-FSDSQADBSA-N	213.237	-0.547	50	10	BBGE	
CC[C@H](CO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1927917891	YQJXLRVQSADORS-DJLDLDEBSA-N	215.297	-0.685	50	10	BBGE	
CN(CCOCC(=O)NN)CC(F)(F)F	1928182630	CWMYINCNTXPTHD-UHFFFAOYSA-N	229.202	-0.513	50	10	BBGE	
C[C@@H](C(=O)NNCCO)[C@@H]1CCCCO1	1929835890	ZJHFKRCKBKECRC-BDAKNGLRSA-N	216.281	-0.195	50	10	BBGE	
NC(=O)NN=Cc1cn(CC2CC2)nn1	1930638441	QCHKXXRTIBRONF-UHFFFAOYSA-N	208.225	-0.310	50	10	BBGE	
CNC(=O)CN1C[C@](C)(CCl)C1=O	1931733767	PCKUQXSYZAMZNK-QMMMGPOBSA-N	204.657	-0.180	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@@H]1CCCOC1	1932290641	NIVOIQLTXMCMIG-DJLDLDEBSA-N	214.265	-0.192	50	10	BBGE	
NNC(=O)C(=O)NC1CC2(CCCC2)C1	1933373523	YLJZOWZQASMPMW-UHFFFAOYSA-N	211.265	-0.185	50	10	BBGE	
OC[C@H]1COCCN(C[C@@H](O)CCl)C1	1933629372	DJVOJCAJWHHYHM-IUCAKERBSA-N	223.700	-0.473	50	10	BBGE	
C[C@@H]1OC2(C)CC1(C(=O)NNC(N)=O)C2	1935031803	DVROYASQFIDYTF-YJTWSPLVSA-N	213.237	-0.357	50	10	BBGE	
COC[C@H](CCl)NC(=O)CCn1cnnn1	1937145748	MILXGPFJIHZPSV-ZETCQYMHSA-N	247.686	-0.567	50	10	BBGE	
O=C1CN(C2C[C@H]3COC[C@@H]3C2)CC(=O)O1	1939481157	KZJLZLPSDJYMMV-YUMQZZPRSA-N	225.244	-0.203	50	10	BBGE	
CC12CC(CN3CC(=O)OC(=O)C3)(CO1)C2	1939667630	CJAMPUYUAUFBDE-UHFFFAOYSA-N	225.244	-0.059	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@]12CC[C@H]1C2	1940153893	SJMPRVYGSLWYEO-CDUCUWFYSA-N	238.077	-0.439	50	10	BBGE	
CC[C@]1(C)CCN(CCOCC(=O)NN)C1=O	1941773294	VXYLDZMNVYOLJC-LLVKDONJSA-N	243.307	-0.359	50	10	BBGE	
CC(=O)C[C@@H]1CCCN1CC(=O)NNC(C)=O	1941988821	LFWUNLZXMQGXGL-JTQLQIEISA-N	241.291	-0.403	50	10	BBGE	
NNC(=O)COCCN1CCC2(CCO2)CC1	1950983364	BMPFROVCOMUOLL-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
CCC1(CN2CC[C@H](B(O)O)C2)COC1	1951320403	JZIYCQCBTDEYHD-VIFPVBQESA-N	213.086	-0.038	50	10	BBGE	
N#C[C@@H](O)c1ccccc1S(N)(=O)=O	1951360248	AHIRYXXIGUPFTD-SSDOTTSWSA-N	212.230	-0.109	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@@H](O)C#N)n1C	1953052515	XSMKMHOMEQHVGJ-IUCAKERBSA-N	223.232	-0.304	50	10	BBGE	
O=S(=O)(CCl)NC[C@@H]1C[C@H](CO)CO1	1955106220	JMHWILBMCUNNRD-RQJHMYQMSA-N	243.712	-0.501	50	10	BBGE	
O=C(CCl)N1CC[C@@H](N2CC(O)C2)C1	1955294620	MSKPODSIQSSQNE-SSDOTTSWSA-N	218.684	-0.497	50	10	BBGE	
NC(=O)[C@@H]1CCCCN1C[C@@H](O)CCl	1956255682	CCVWAGLHKHUHEX-YUMQZZPRSA-N	220.700	-0.074	50	10	BBGE	
C[C@@]1(CO)COCCN1C[C@H](O)CCl	1956680258	CNWHNFCEEFXRFJ-RKDXNWHRSA-N	223.700	-0.331	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CCCC(=O)NN	1958270362	RMVCNJJDZWZSGD-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](O)CC	1959516764	JZUBXQJMEYMCDO-BDAKNGLRSA-N	217.313	-0.152	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1	1969584104	BHTHENIXXJQXSJ-GZMMTYOYSA-N	233.076	-0.153	50	10	BBGE	
C[C@@H]1C[C@@H](CN(C)C[C@@H](C)C(=O)NN)CO1	1975825583	BPOFPLNNZHLGBM-BBBLOLIVSA-N	229.324	-0.031	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1	1976092595	WYCQKHDGTIIQOV-FXQIFTODSA-N	241.678	-0.288	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC12CC(CO)C2	1976886489	WMSUILPTUZDUQM-YUCVTWSNSA-N	227.308	-0.398	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN([C@@H](C)C(=O)NN)C1	1978977939	VLIDKIWLHFRWOP-XHNCKOQMSA-N	231.296	-0.900	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1COCCC1(F)F	1980166416	KKRTVSZLJSWHFE-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]1C(F)F	1981420265	IORWUPDBDFGHOZ-SSDOTTSWSA-N	228.007	-0.395	50	10	BBGE	
COC[C@H](Oc1nc(B(O)O)cs1)C(C)C	1981424265	QRJBQMLZGOSNRW-ZETCQYMHSA-N	245.109	-0.127	50	10	BBGE	
OB(O)c1cnccc1N1C[C@H]2CC[C@H]1C2	1981425154	CTLXVWUVTFOANK-IUCAKERBSA-N	218.065	-0.250	50	10	BBGE	
CCOC[C@H](C)Oc1ncccc1B(O)O	1981429298	BZZAQSJKHWBLRI-QMMMGPOBSA-N	225.053	-0.435	50	10	BBGE	
O=C(NCB(O)O)c1cccn2ccnc12	1983533771	GSPCVODEOQKTMJ-UHFFFAOYSA-N	219.009	-0.924	50	10	BBGE	
NNC(=O)C(F)(F)COC1CC2(COC2)C1	1985543238	AACXYZRDCMHNEL-UHFFFAOYSA-N	236.218	-0.193	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CCNC(=O)C1	1987023689	YMJWLOPUJZXUMF-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
NNC(=O)NC1C[C@@H]2CCC[C@H](C1)S2(=O)=O	1987075957	NZRLNIBURQGBQZ-IEESLHIDSA-N	247.320	-0.342	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC[C@H]1CNC(=O)O1	1987122149	YBXXDPNYVFSIBM-UHNVWZDZSA-N	249.654	-0.452	50	10	BBGE	
N#Cc1ccc2c(c1)N(CC(=O)NN)CC2	1988539883	QKJNFJDHOIBQKY-UHFFFAOYSA-N	216.244	-0.089	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@@H]2OCCO[C@H]2C1	1991701152	COJQXNSKKJPDAC-HIQWKFPQSA-N	245.662	-0.066	50	10	BBGE	
COCCOC1CCN(CCC(=O)NN)CC1	1996866896	OZZZKRKHIVCIDM-UHFFFAOYSA-N	245.323	-0.506	50	10	BBGE	
C[C@@H]1CO[C@H](CN2CCC(O)(C#N)CC2)CN1	2002297213	PEXYOSWWMAEGPK-MNOVXSKESA-N	239.319	-0.286	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1C[C@H](C)C(=O)NN	2003814375	UYZVWKATDNHPIZ-DTWKUNHWSA-N	242.323	-0.931	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2[C@H](C1)C2(F)F	2004930175	RTZNQCPBBJNDKQ-KNVOCYPGSA-N	240.018	-0.537	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H]1C1(O)CC1	2013931783	YJBLJHVXHZIDJH-ZJUUUORDSA-N	241.335	-0.010	50	10	BBGE	
CC(C)C1CC(Oc2ncc(B(O)O)cn2)C1	2014614616	WDADBCMDULYAPQ-UHFFFAOYSA-N	236.080	-0.030	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21	2015022935	YYMWQFWGKHPBHH-VRGHXPGPSA-N	239.319	-0.138	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	2024085902	IZSMIWYMWYWRJI-ZNSHCXBVSA-N	241.335	-0.296	50	10	BBGE	
OB(O)c1ccc(N2CCC[C@@H]3COC[C@@H]32)nc1	2052467755	UTSLNJQRMDNCKL-KOLCDFICSA-N	248.091	-0.623	50	10	BBGE	
Cc1ccnc(N2CCOCC23CC3)c1B(O)O	2052472846	NYSQZSDEZPESRT-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
CCc1c(C=O)cc(B(O)O)cc1OC	2060165473	XTTLBIRQXWOHHO-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
Cc1cc([N+](=O)[O-])cc(B(O)O)c1C=O	2060281841	WHOWFZFGXQOAQW-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
CN(C)C1CC(OCc2cccc(B(O)O)c2)C1	2063789522	PTBKKJHXDFZFFA-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
O=C(NCC=CB(O)O)c1cnc2cccnn12	2076076426	NQLBJZWWKXWDCE-UHFFFAOYSA-N	246.035	-0.973	50	10	BBGE	
OB(O)c1cnccc1OC[C@@H]1C[C@@]12CCOC2	2077648708	NMMMOHMEXCRHHG-JOYOIKCWSA-N	249.075	-0.433	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@H]2COC3)nc1	2077831239	SCPSQCNQZSRNEV-QWRGUYRKSA-N	248.091	-0.481	50	10	BBGE	
CN(CCF)Cc1cc(B(O)O)cs1	2209685998	KOQPUVXSXXVBCL-UHFFFAOYSA-N	217.074	-0.171	50	10	BBGE	
OB(O)c1csnc1CN1CC[C@H]2C[C@H]2C1	2211137262	CVELAMDHOCLQKE-YUMQZZPRSA-N	238.121	-0.335	50	10	BBGE	
CN(CCCO)CC1(C(=O)NN)CCCC1	2212445201	XBTRWTBPDUVJTE-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@H](C#N)CN(C)c1ccc(B(O)O)cn1	2212612858	PQVXHMBPJBUCTI-MRVPVSSYSA-N	219.053	-0.643	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H](O)C[C@H](F)C1	2213889236	LWFMIWCZRGBLAY-UWVGGRQHSA-N	247.314	-0.059	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CCCC[C@H](O)C1	2215770390	BKTYVGPDUQUDLO-OUAUKWLOSA-N	241.335	-0.151	50	10	BBGE	
CON(C[C@@H]1CC[C@@H]1C(=O)NN)[C@@H]1CCOC1	2215778328	YOBREYBAICWCIE-AEJSXWLSSA-N	243.307	-0.345	50	10	BBGE	
COC[C@H](O)CN(C)CC1(C(=O)NN)CCC1	2216496074	YFNUOENRSUAOQN-SECBINFHSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1ccc(OCC[C@H]2CCNC2)nc1	2217167416	NZMOVPRYXJCIGK-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H](CF)C2)c1	2217173735	UDJDISIJVOLGQU-SECBINFHSA-N	238.071	-0.053	50	10	BBGE	
OB(O)c1ccnc(N2O[C@H]3C=C[C@H]2C3)c1F	2217181854	WBHPATLAISDIPY-BQBZGAKWSA-N	236.011	-0.651	50	10	BBGE	
CCC[C@@H](CO)CN=c1ccc(B(O)O)c[nH]1	2217183598	MBAKHWDXOTYWHD-SECBINFHSA-N	238.096	-0.996	50	10	BBGE	
CC=C=CCCN=c1[nH]ccc(B(O)O)c1F	2217184890	RWQGCJHPCGGOBM-UHFFFAOYSA-N	236.055	-0.144	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1nccc(B(O)O)c1F	2217185911	CVXCPCBKBBOSEK-XPUUQOCRSA-N	242.059	-0.595	50	10	BBGE	
C[C@H]1CCNC[C@@H]1Oc1cc(B(O)O)ccn1	2217194606	WZRUQOYWNZRXDL-WPRPVWTQSA-N	236.080	-0.862	50	10	BBGE	
C=C[C@@H](Nc1ncc(B(O)O)cn1)C1CCC1	2217200215	IRKPCCLILQQYKU-SNVBAGLBSA-N	233.080	-0.077	50	10	BBGE	
CC1(C)[C@H]2CN(c3cc(B(O)O)ccn3)C[C@H]21	2217201969	GXWYXJQKGGKSNK-AOOOYVTPSA-N	232.092	-0.146	50	10	BBGE	
C[C@H](CN1CCCC1)Nc1ncccc1B(O)O	2223633081	ROOXXYIEIVZXSP-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C12CC(CO1)C2	2223633543	XVPAQWOLWIXCJN-QTZUAFFRSA-N	248.091	-0.259	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2223634141	GVJRGPWSFISCJT-KWTDZHAOSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1ccnc(N2CCOC[C@@H]2C2CC2)c1	2223635070	RYVORTVJCJHYJS-LLVKDONJSA-N	248.091	-0.623	50	10	BBGE	
N#C[C@@H]1CCCN(c2cc(B(O)O)ccn2)CC1	2223668345	YKUUGKBORIAITQ-SNVBAGLBSA-N	245.091	-0.109	50	10	BBGE	
CN1CC[C@@](C)(CNc2ncccc2B(O)O)C1	2223670503	YYUXKFXDRJIHGA-LBPRGKRZSA-N	249.123	-0.485	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC12CCCC2	2224024862	CSCYEBODRTZFRW-SECBINFHSA-N	248.091	-0.497	50	10	BBGE	
CCN(CCF)C(=O)C1(B(O)O)CC1	2241480218	GIHDYSHPXHKMBT-UHFFFAOYSA-N	203.022	-0.189	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)C1(B(O)O)CC1	2241480567	JMIHQUVYTUYSSJ-SCSAIBSYSA-N	204.969	-0.483	50	10	BBGE	
CC[C@H]1[C@H](O)CCN1[C@@H](C)C(=O)NN	2242164848	KWLNRYPIUYDZFZ-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
C[C@H]1C[C@H]1CNC(=O)c1nscc1B(O)O	2243347246	JWCKQWCYNQBSEP-WDSKDSINSA-N	240.093	-0.791	50	10	BBGE	
O=C(NCc1nncs1)C1(B(O)O)CCC1	2243348511	YSASUYCOWGBIKQ-UHFFFAOYSA-N	241.081	-0.449	50	10	BBGE	
O=C(C#CB(O)O)NC1(CC2CC2)CCC1	2243350147	WJXOAGIAQHTEPX-UHFFFAOYSA-N	221.065	-0.159	50	10	BBGE	
COc1nnc(NC(=O)C2(B(O)O)CC2)s1	2243363057	ALZDYHWMYWRFQK-UHFFFAOYSA-N	243.053	-0.508	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CCC1	2243365562	OGWYVZPZKPOUKD-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
N#C[C@]1(NC(=O)C2(B(O)O)CC2)CCSC1	2243365906	USIQNWMTWPICLE-MRVPVSSYSA-N	240.093	-0.491	50	10	BBGE	
CON(C)C(=O)c1cc(Cl)ccc1B(O)O	2243367710	XICLOORGFOYOQT-UHFFFAOYSA-N	243.455	-0.347	50	10	BBGE	
CCCN(O)C(=O)c1ncccc1B(O)O	2243375647	WUMOBCSPGRRADB-UHFFFAOYSA-N	224.025	-0.997	50	10	BBGE	
CN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381310	FEDOZSVZGNSGTG-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
C[C@@H]1CC[C@H](CCNC(=O)C#CB(O)O)O1	2243400040	UWBHRJSMJCRGFT-RKDXNWHRSA-N	225.053	-0.924	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21	2243400661	FTOPGCRCXAXPTD-MQIGXGKASA-N	219.049	-0.838	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H]1C[C@@]1(C)CC)B(O)O	2243413112	ZTLVRFKSPQMIOP-DTWKUNHWSA-N	247.125	-0.337	50	10	BBGE	
O=C(O)[C@@H]1CCN1C(=O)C1(B(O)O)CCC1	2243756114	RLNPTHINVZKLNP-LURJTMIESA-N	227.025	-0.931	50	10	BBGE	
COC[C@]1(C)[C@@H]2C[C@H]2CN1[C@H](C)C(=O)NN	2243803844	GPNIWJXQPGFBBO-PKIKSRDPSA-N	227.308	-0.278	50	10	BBGE	
COCCOCCN1CCC(B(O)O)CC1	2244179408	BBGDYJGKHYEOHW-UHFFFAOYSA-N	231.101	-0.412	50	10	BBGE	
O=C(NCC1CCC1)c1cocc1B(O)O	2244206337	VCUQWZODACBOOZ-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CC1CC(C)(C(=O)NCCC#CB(O)O)C1	2244547940	ICCCTZROPXSZEE-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CN(CC[C@@H]1CCO1)C[C@H]1C[C@H]1C(=O)NN	2246211844	KHGREXXYIPORNO-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CC1(C)CCO[C@H](Cn2cc(B(O)O)cn2)C1	2246984279	OBYRHAIHNPAFDC-JTQLQIEISA-N	238.096	-0.232	50	10	BBGE	
O=C(NC1[C@H]2CCC[C@H]12)c1ccc(B(O)O)o1	2247742714	SQAWHKFKDFBPBO-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1F	2247752014	HAWCTNONCFQXTQ-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
C[C@@H](Cn1cccn1)NC(=O)C1(B(O)O)CC1	2247754225	LHDCYGXDQCPVGB-QMMMGPOBSA-N	237.068	-0.605	50	10	BBGE	
CC(C)ONC(=O)c1cccc(F)c1B(O)O	2247759343	OWAGUOCDBHNOTD-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2247789717	ALFSNMJAACSXTE-REIXXSIJSA-N	239.080	-0.513	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)c1nccnn1	2247799487	DPINEYZADCGMLE-UHFFFAOYSA-N	236.040	-0.913	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H](CO)C1	2247800245	NDJLCFCEQLNSBQ-XNWIYYODSA-N	241.096	-0.530	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2[C@H](C1)C2(F)F	2247809981	SVTZTKVJEGAJHB-GHNGIAPOSA-N	245.034	-0.037	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCc2cccnc21	2247810678	ZIKLPDDWSGJYRR-RKDXNWHRSA-N	232.048	-0.166	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2occc2B(O)O)C1	2247853365	LCSKRBSZHQZNIM-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)n(C)n1	2247855805	YHQQMTKNWFDLST-UHFFFAOYSA-N	239.084	-0.980	50	10	BBGE	
CCOC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247860633	ZELGYINIYPXQIV-KXUCPTDWSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@]12COC[C@@H]1C2(F)F)C1(B(O)O)CC1	2247871723	GWJQMIKOPYXBGL-YLWLKBPMSA-N	247.006	-0.856	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CC2)[C@@H]2CC[C@H]21	2247877348	GRAGTOOUBOAMAY-RKDXNWHRSA-N	238.096	-0.702	50	10	BBGE	
COCCOCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900148	UJHFAGFYMCWTJQ-KYZUINATSA-N	245.084	-0.981	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)C1CC(B(O)O)C1	2248575270	AHWHQLUGAXESTP-KKMMWDRVSA-N	243.068	-0.391	50	10	BBGE	
CC[C@@H](CCNC(=O)C1(B(O)O)CC1)C(=O)O	2248587765	UMHSYRAADSQOOC-ZETCQYMHSA-N	243.068	-0.390	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2cc(B(O)O)co2)C1	2249420809	YQPBGCLPRTZTAO-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
O=C(C#CB(O)O)N1CC2(CCCCC2)CC1=O	2255467804	RPPGPOJQNSOPQJ-UHFFFAOYSA-N	249.075	-0.289	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2CC[C@@H]21)c1occc1B(O)O	2255479245	QFNKITDUXISCOX-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)c2occc2B(O)O)C1	2255484679	MBNWLHBACCIBBU-QMMMGPOBSA-N	248.047	-0.665	50	10	BBGE	
N#CC1CN(C(=O)c2c(F)cccc2B(O)O)C1	2255497614	DSEIOVYHHBBOBB-UHFFFAOYSA-N	248.022	-0.899	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1cc(B(O)O)cn1C	2255509301	RDXCGVQOIFFKFP-SNVBAGLBSA-N	248.091	-0.763	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cccc(B(O)O)c1C	2255512212	WLSHWVGUEYYCMO-VIFPVBQESA-N	245.087	-0.326	50	10	BBGE	
C#CCCCN(C)C(=O)c1cc(C)c(B(O)O)o1	2255575343	OTKNYDOCRWEZDT-UHFFFAOYSA-N	249.075	-0.247	50	10	BBGE	
N[C@H]1CN(C(=O)C#CB(O)O)Cc2ccccc21	2255670320	XKQTXKWGWDPDST-NSHDSACASA-N	244.059	-0.956	50	10	BBGE	
C=C1CON(C(=O)c2ccc(B(O)O)c(C)c2)C1	2255692199	UMTROCCYAXUHJF-UHFFFAOYSA-N	247.059	-0.382	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255732974	DLDFZEXFFDIIGH-KCJUWKMLSA-N	248.091	-0.320	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)c1ccco1	2255761309	FETAINQESMSKSD-LURJTMIESA-N	249.035	-0.827	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1C[C@@H](O)[C@H](O)C1	2297133445	WMADRDHNPJUFTK-XLPZGREQSA-N	221.684	-0.185	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)O1	2298369498	WLXWJPWOCNZJMH-KBDSZGMXSA-N	241.096	-0.079	50	10	BBGE	
CCN(C[C@H]1CCCN1)C(=O)[C@@H]1C[C@H]1B(O)O	2298369978	KTOBHEQRNAIPQH-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCC[C@@H](N)C1	2298371832	XCHXOSAEGUUXKF-UTINFBMNSA-N	240.112	-0.422	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2301503180	SJMZODZKNYESNW-YBEMZLNNSA-N	239.080	-0.779	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2301510349	SJMZODZKNYESNW-UEWQFTGXSA-N	239.080	-0.779	50	10	BBGE	
CC[C@@](C)(CN1C(=O)COC[C@H]1C)C(=O)NN	2303432374	SKADPAIKZUDHBZ-KCJUWKMLSA-N	243.307	-0.360	50	10	BBGE	
COC(C)(C)C1(Cn2cc(B(O)O)cn2)CC1	2303760836	XTQPNEBZSYLXGN-UHFFFAOYSA-N	238.096	-0.232	50	10	BBGE	
CCC1(F)CN(c2cc(B(O)O)c(F)cn2)C1	2303834636	JGXDABMFLHXZQL-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@H]3CN[C@@H]2C3)cc1B(O)O	2312612324	QLKKVNIJPYGXAT-WCABBAIRSA-N	247.107	-0.910	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2312849027	BJUOJKOJCFQXRM-ODHVRURNSA-N	247.059	-0.560	50	10	BBGE	
CC[C@@H](O)C(=O)N1CCc2ccc(B(O)O)cc21	2317548867	GDISHEGJXZRMGZ-LLVKDONJSA-N	249.075	-0.974	50	10	BBGE	
N#CC(=CNCCCCl)C(=O)NCC(=O)O	2324946327	GCOOPGDENZNPAD-UHFFFAOYSA-N	245.666	-0.187	50	10	BBGE	
C[C@@H](Sc1nccn1C)C(=O)NN	82471805	KVLUHERCHNZWNJ-RXMQYKEDSA-N	200.267	-0.109	50	10	BBGE	
CNC(=O)[C@H]1CCCCN1C[C@@H](C)C(=O)NN	104101127	KBTQNUVLKDTIEF-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2CCC[C@H]2C1=O	125123030	SPIAPQYUMPAWGJ-RNFRBKRXSA-N	225.248	-0.849	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCOC1	134791168	VFONDSSDXVKAOR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CN(C)NC(=O)N(C)[C@H]1COC[C@@H]1C(=O)O	149054759	XJXSMQVBOGRXOQ-BQBZGAKWSA-N	231.252	-0.796	50	10	BBGE	
CO[C@]1(CNS(=O)(=O)CCl)CCOC1	159330667	AWOINBVUVUISJB-ZETCQYMHSA-N	243.712	-0.092	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](C)C1	216469439	TUWNCGXKNWLAAB-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1CO	227214581	VHHOKLRKQHHAAF-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](OCCC(F)(F)F)C(=O)NN	232418637	IQNPRPISNHPDQE-YFKPBYRVSA-N	230.186	-0.040	50	10	BBGE	
OB(O)c1cccc(-c2ncccn2)c1	238650364	DTUIUJHOWPPYFY-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)C(=O)NN)CCC[C@H]1C	252431805	QBAVTQQDTHFJNS-CSMHCCOUSA-N	213.281	-0.083	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252634563	DZJPFBSWROHKMT-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1CCN(CCCCC(=O)NN)C[C@H]1O	299908572	JSKXGHYNXDNPDE-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
CS[C@H]1CCCN(C(=O)C(=O)NN)CC1	300855128	OIIOIPYHBYKYTR-ZETCQYMHSA-N	231.321	-0.280	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC(O)(CO)CC1	306259328	RTPYCPFKMPILAU-MRVPVSSYSA-N	218.684	-0.063	50	10	BBGE	
Nc1c(B(O)O)sc2ccc(O)cc12	307257766	JVJHVVPASMOZBE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1cc(F)cc(C(F)(F)F)n1	307390375	SJYQCYFMMVUAIJ-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NCC(=O)N1C	308689726	JSNXBVZTKQXYBP-VURMDHGXSA-N	209.205	-0.654	50	10	BBGE	
CCCOc1c(C=O)cccc1B(O)O	308911076	WRZDZRBGCQMVOQ-UHFFFAOYSA-N	208.022	-0.032	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](C)(CN)C1	309482759	ZYNSNYSBTKTEOV-GXSJLCMTSA-N	228.340	-0.184	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1CO2	387666824	YXGBUQZCEYETEL-HRDYMLBCSA-N	213.281	-0.382	50	10	BBGE	
N#Cc1csc2c(CO)cc(B(O)O)cc12	396215038	FKHZQUVARJYWHX-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(O)c1ccc2sc(B(O)O)cc2c1O	396386823	RQVYTLNPXZWOGR-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](O)CC[C@@H]1C	401902447	DZPGWAYYNSKNGH-QEYWKRMJSA-N	229.324	-0.154	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)c1cc[nH]n1	405015002	WXAHQUJJEFRINZ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
O[C@H](CCl)CN1CCN2C[C@H](O)C[C@H]2C1	405242113	WSEODDONCJKNAM-IVZWLZJFSA-N	234.727	-0.663	50	10	BBGE	
CN1CCN(S(=O)(=O)CCl)C[C@@H]1CO	687590250	HWIIZRYQCFPKBL-SSDOTTSWSA-N	242.728	-0.879	50	10	BBGE	
COC(=O)CCN/C=C(\C=O)[N+](=O)[O-]	687807079	ZULFEONOSZJQFK-GQCTYLIASA-N	202.166	-0.544	50	10	BBGE	
COC[C@](C)(CO)N(C)[C@H](C(=O)NN)C(C)C	689810319	KKJXRJCDEBKJBZ-ONGXEEELSA-N	247.339	-0.670	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@](C)(C#N)C1	693996983	CXEACQGZMPBJDN-WCBMZHEXSA-N	210.281	-0.010	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(=O)N[C@H](C)C1	695087308	MTWGLDHMCQZXOJ-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CC(C)(CN1CCNC1=O)C(=O)NN	696373422	JOCSJEWBYZKRBJ-UHFFFAOYSA-N	200.242	-0.972	50	10	BBGE	
CN1CCN(Cc2nnnn2C)[C@@H](CCl)C1	697748885	HFOQGGNKDSHKNO-QMMMGPOBSA-N	244.730	-0.435	50	10	BBGE	
Cc1noc(C)c1CC(=O)NNC(N)=S	700873503	LFAZKLSYKYGJQK-UHFFFAOYSA-N	228.277	-0.302	50	10	BBGE	
NC[C@@H](O)CC(=O)NCC(Cl)Cl	703306439	BYETXSMVBNXUCD-BYPYZUCNSA-N	215.080	-0.384	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@](O)(CC)C1	710210205	PAANXLGXYYAOFL-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CNCCOCCSS(=O)(=O)O	711710511	NRBYDUUAHUXMDD-UHFFFAOYSA-N	215.296	-0.242	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]21	712568592	RSDCCDQJBMBVMB-XLPZGREQSA-N	211.265	-0.329	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H](C(C)(C)O)C1	719666337	IWODYMKBNHRWEC-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN1N=C=C([C@H](Cl)[C@H]2CCS(=O)(=O)C2)N1	725449149	YXDLSVLBPWACSF-POYBYMJQSA-N	249.723	-0.053	50	10	BBGE	
Cc1cccnc1C(=O)NNC(=O)CC(N)=O	752236084	UGPRKJMFEHBXBU-UHFFFAOYSA-N	236.231	-0.974	50	10	BBGE	
COC[C@@](C)(O)C(=O)NNC(=O)CCC(C)C	754998261	YWMBWKWPMCIBCH-LLVKDONJSA-N	246.307	-0.033	50	10	BBGE	
CCc1n[nH]cc1C(=O)NN(C)C(N)=O	778411601	HHZXYEOFDPYMFK-UHFFFAOYSA-N	211.225	-0.373	50	10	BBGE	
N#CCSCC(=O)NNC(=O)[C@H]1CCCO1	817213959	PBGROSWUZQKVQT-SSDOTTSWSA-N	243.288	-0.430	50	10	BBGE	
CCOC1(C(=O)NNC(=O)C(C)(C)O)CCC1	832753921	BXRVYVUSGWKYPS-UHFFFAOYSA-N	244.291	-0.136	50	10	BBGE	
CON1CCC(CC(=O)NNC(C)=O)CC1	854155928	YYDYYKCEWZSHNM-UHFFFAOYSA-N	229.280	-0.183	50	10	BBGE	
COC(=O)N(C)NC(=O)COCC(F)F	861656604	RKAHUIDAHYWGOQ-UHFFFAOYSA-N	226.179	-0.003	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)c1ccc(=O)n(C)c1	1179627998	CDDAFWUUOAVNPB-ZETCQYMHSA-N	248.242	-0.694	50	10	BBGE	
O=C(CCO)NN=Cc1cnn(CCF)c1	1332063578	HNTRDXYEAFBKDV-UHFFFAOYSA-N	228.227	-0.315	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ncon2)CO1	1536938184	STIAALQCJANWOU-PHDIDXHHSA-N	240.219	-0.744	50	10	BBGE	
O=C(NNC(=O)c1cccnn1)c1ccncc1	1537026749	LUZMLEMBCHBJRI-UHFFFAOYSA-N	243.226	-0.054	50	10	BBGE	
O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1Cl	1883634843	OXOYRVZTZSLCTG-SRQIZXRXSA-N	202.641	-0.382	50	10	BBGE	
CS[C@H](C(=O)NNC(N)=S)C1CC1	1886805404	YOWMYWRGVPVGPD-YFKPBYRVSA-N	219.335	-0.008	50	10	BBGE	
NS(=O)(=O)N1CCC(NC(=O)F)CC1	1887173799	QVDSQDIWPXMCTD-UHFFFAOYSA-N	225.245	-0.667	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2C[C@@H]2F)[nH]1	1887433157	MYYJPJMTUOKJKP-IMJSIDKUSA-N	217.635	-0.033	50	10	BBGE	
C#CCCCOCCOCC(=O)NN	1887815341	PBFILMJEYRBLPV-UHFFFAOYSA-N	200.238	-0.577	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCNC1=O	1893497682	JWPCRCARMWJYKO-WYPBCBNTSA-N	216.624	-0.687	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@]1(CO)C[C@H](O)C1	1893761456	JNCGAVSTSCJOKJ-ACLDMZEESA-N	221.684	-0.137	50	10	BBGE	
CN(NC(=O)[C@H](N)C1CCCC1)S(C)(=O)=O	1901376801	GFNARDQIYFLUDG-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
CCc1nnc(CN2CC[C@H](B(O)O)C2)o1	1902505671	KPQFYHLTGVDBJZ-ZETCQYMHSA-N	225.057	-0.319	50	10	BBGE	
CC(C)(CO)Sc1cc(B(O)O)c(F)cn1	1903010349	ORSHRAHBDVVGMW-UHFFFAOYSA-N	245.084	-0.237	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1[C@H]2OCCC[C@H]12	1909495871	IXRIHYARTIBZSY-MRTMQBJTSA-N	213.281	-0.667	50	10	BBGE	
CCC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@H]1CO	1911478299	BNKBKOGSIKOJLL-AXFHLTTASA-N	243.351	-0.047	50	10	BBGE	
CS(C)(=O)=NC[C@H]1CC[C@H](C(=O)NN)O1	1913513237	DEBZLTNBKUJLGV-RNFRBKRXSA-N	235.309	-0.749	50	10	BBGE	
CC[C@@H]1CCN(CC(=O)NN)CCO1	1913633649	XQGQJHLPSMQJHK-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CO)C(C)(C)C1	1914457359	PMPDTPWUMIJEDD-VIFPVBQESA-N	243.307	-0.896	50	10	BBGE	
CN(Cc1occc1C(=O)NN)C1COC1	1915650005	JCSRGBRAILZQFF-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCO)C1CC1	1927914076	QKAZALKRSPKXCE-APPZFPTMSA-N	213.281	-0.931	50	10	BBGE	
CN(CCOCC(=O)NN)CC1CSC1	1928179574	RIMLNJRIOOGBST-UHFFFAOYSA-N	233.337	-0.712	50	10	BBGE	
O=C(Cn1cnnn1)NC[C@@H](Cl)C1CC1	1928696808	SIDWADNLHWUCJC-SSDOTTSWSA-N	229.671	-0.193	50	10	BBGE	
ClCCc1noc(Cn2cnnn2)n1	1928698945	UHYJWWFZRRIFDB-UHFFFAOYSA-N	214.616	-0.114	50	10	BBGE	
C[C@@H](Cl)CNC(=O)C1CS(=O)(=O)C1	1933141896	XALDIDKRKNFZKQ-RXMQYKEDSA-N	225.697	-0.226	50	10	BBGE	
C[C@@H]1OCCN(CC2(C(=O)NN)CC2)[C@H]1C	1938230797	MXLNNKZRXCXBPP-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CN1C[C@H]2CN(CC(F)(F)C(=O)NN)C[C@H]2C1	1940893553	ZAQIJRKQLJLPEJ-OCAPTIKFSA-N	248.277	-0.895	50	10	BBGE	
Cc1cn(CC(F)(F)C(=O)NN)nc1[N+](=O)[O-]	1940896055	OTHBPMHEWGDIQH-UHFFFAOYSA-N	249.177	-0.275	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@@]12COC[C@H]1C2	1941084423	GVIGKNGJQDZSHO-WYFGTUCQSA-N	239.319	-0.419	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3COCC[C@H]32)CC1	1945884070	KWJMIJFFYUGYQP-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC(C)[C@@H](OC[C@H]1COCCCO1)C(=O)NN	1948414559	AQWUUSFYGCPFGR-NXEZZACHSA-N	246.307	-0.177	50	10	BBGE	
COc1ncc([N+](=O)[O-])cc1[C@H](N)[C@H](O)C#N	1952956690	NXUARNCGUBNOJY-SFYZADRCSA-N	238.203	-0.117	50	10	BBGE	
O=C(NNCCO)Nc1cnsc1	1954091154	MFTMYVLNQDJVKT-UHFFFAOYSA-N	202.239	-0.239	50	10	BBGE	
OB(O)c1cnccc1OCC(F)F	1956969895	QVADDYATDBJZLZ-UHFFFAOYSA-N	202.953	-0.595	50	10	BBGE	
O=C(NC1[C@H]2CS(=O)(=O)C[C@H]12)OCCl	1957280416	KAGBAHBROLLNGD-WHFBIAKZSA-N	239.680	-0.048	50	10	BBGE	
CN(C)[S@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1960618512	ORGPQRSSQFDUMB-PUEPSQOVSA-N	234.325	-0.813	50	10	BBGE	
CC(C)[C@@H](O)CN(C)C[C@@H](C)C(=O)NN	1960663083	NGJUFIKZNZPYMO-BDAKNGLRSA-N	217.313	-0.439	50	10	BBGE	
NNC(=O)CCN1CC[C@H](O)CC12CC2	1961236074	LQHILFMYIUBELC-QMMMGPOBSA-N	213.281	-0.644	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1CC(=O)NN	1961311089	PTDRABIEQYTHSV-IUCAKERBSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC=C(CO)CC1	1961392227	VKHVKSARVZKVHW-MRVPVSSYSA-N	213.281	-0.621	50	10	BBGE	
CON(C)CCCNS(=O)(=O)CCl	1965802349	XQESWQZKGDHQOW-UHFFFAOYSA-N	230.717	-0.015	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2C[C@H]1[C@H]1C[C@H]21	1976402202	MMOKNRMCRLCHHU-IMSYWVGJSA-N	225.292	-0.667	50	10	BBGE	
Cc1ncncc1CN(C)[C@@H](C)C(=O)NN	1984240876	GVMFFJNDUHJGFQ-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
C[C@@H]1CN(C(=O)C=CC(=O)Cl)C[C@@H](CO)O1	1991647431	DIGCHULBVJUBEG-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
CN1CCN[C@H](CNC(=O)C=CC(=O)Cl)C1	1991661481	BCTUICZXZCAKIT-MRVPVSSYSA-N	245.710	-0.672	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992323268	DMIKWZRLAIAGTD-AEJSXWLSSA-N	227.308	-0.136	50	10	BBGE	
CCCN([C@H](C)C(=O)NN)[C@@H]1CCCNC1=O	2004314756	SQBMRJUOCILPCS-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CCC[C@H]3C2)nc1	2004912721	XJAZCYABJSLBSJ-DTORHVGOSA-N	233.080	-0.607	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]3C[C@H]32)c1B(O)O	2004972059	ZRYQFKKJMBBQBG-RKDXNWHRSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@@](C)(F)C2)n1	2005014101	GKFZQQXCNBYBIT-SNVBAGLBSA-N	239.059	-0.597	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@H]2C3)n1	2005014382	KOJGCTYMEMLIEK-IUCAKERBSA-N	233.080	-0.546	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@@H](C)C2)n1	2005015263	YEBPITZBZATHNT-YUMQZZPRSA-N	235.096	-0.443	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(N(C)C2CC2)C1	2005180842	XCHBXDDTWDQWHB-SECBINFHSA-N	240.351	-0.077	50	10	BBGE	
NNC(=O)CCN1C[C@]2(F)CCC[C@]2(CO)C1	2007743656	KQXFUDJWRBYVLM-GHMZBOCLSA-N	245.298	-0.447	50	10	BBGE	
Cc1ncc(OC[C@H](C)N(C)C)cc1B(O)O	2008385008	ZICGRIAJGSZTTF-QMMMGPOBSA-N	238.096	-0.601	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2CC1(C(=O)NN)CC1	2008786751	ZLQHHSGLFLQDTG-KXUCPTDWSA-N	239.319	-0.134	50	10	BBGE	
Cc1ncnc(N(C)[C@@H](C)C(F)F)c1B(O)O	2009012847	QXXLVWURQMWGDO-LURJTMIESA-N	245.038	-0.445	50	10	BBGE	
CCc1ncncc1CN1CC(=O)OC(=O)C1	2009046738	FALXKYILRPXNNL-UHFFFAOYSA-N	235.243	-0.076	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CO)C12CC2	2016081532	VTOURFWUNGCQRZ-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@@H]2CCC[C@@H]2C1	2021115761	RLBLOSIUYIOHIM-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
O=C(NCC#CB(O)O)c1coc(C(F)F)n1	2021156775	BYZUQINWJPBQQM-UHFFFAOYSA-N	243.962	-0.643	50	10	BBGE	
C[C@@H](C(=O)NCC#CB(O)O)[C@H]1CCCCO1	2021157852	SBLRTCCFZYWJNF-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1Cc2ccccc21	2021164873	NJKMXPLXTQGYEX-NSHDSACASA-N	229.044	-0.542	50	10	BBGE	
COCC1(CN2CCC(O)(C#N)CC2)COC1	2021852947	AWQVOUUIBKQIMU-UHFFFAOYSA-N	240.303	0.000	50	10	BBGE	
Cc1ccnn1CC12CC(C(=O)NN)(CO1)C2	2023839328	SCCZDYTZGJZIRM-UHFFFAOYSA-N	236.275	-0.269	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2CC[C@@H](O)C[C@H]2C1	2024502828	LLFYWDKCNHLXSY-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
C[C@H]1C[C@]1(F)CN(C)c1ncncc1B(O)O	2025750178	ASCISHQCWRWGAR-XVKPBYJWSA-N	239.059	-0.659	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2026846647	BQOWABITCQYJIC-SKDRFNHKSA-N	232.092	-0.002	50	10	BBGE	
CN(C[C@@]12CCC[C@H]1C2)c1ncc(B(O)O)cn1	2052469632	SZGWMCSKIZYEQN-CABZTGNLSA-N	247.107	-0.217	50	10	BBGE	
CCN1CCN(c2ccc(B(O)O)cn2)C[C@@H]1C	2052472192	KFQYSRRPNDHEBZ-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
CCN1CC[C@H](N(C)c2ccncc2B(O)O)C1	2052507624	QPGFSSAXJCIFAE-JTQLQIEISA-N	249.123	-0.708	50	10	BBGE	
COc1cc([N+](=O)[O-])c(B(O)O)cc1Cl	2060017701	BVNWGZWCGVEVAQ-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCOc1cc(C#N)cc(B(O)O)c1OC	2060204838	KPNMCBORIOIXCF-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2070855120	OMCXZFHBFXZWGQ-JJGODUAKSA-N	244.103	-0.148	50	10	BBGE	
OB(O)c1ccc(O[C@H]2COC3(CCC3)C2)nc1	2076748532	CRKPADBALBAGPY-SNVBAGLBSA-N	249.075	-0.148	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1C[C@H]1C1CCC1	2079373929	GQHPZLXUBLQTGJ-PWSUYJOCSA-N	247.103	-0.036	50	10	BBGE	
OB(O)c1cnc(OCc2cccc(F)c2)nc1	2083865400	ZLTMDCSGVXIRKQ-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)nn1	2208732581	WPKWSHABZBTYCG-MRVPVSSYSA-N	235.052	-0.526	50	10	BBGE	
O=C1COC[C@@H]2CN(CCCl)CCN12	2209872898	JRTHQYRXJGDMPB-QMMMGPOBSA-N	218.684	-0.232	50	10	BBGE	
CC[C@H](CCO)Nc1ncccc1B(O)O	2212601492	OSALMSYNGKNJEF-MRVPVSSYSA-N	224.069	-0.666	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cc1)CN(C)C	2212985893	FSEBHGGNVWTDFU-JTQLQIEISA-N	237.108	-0.057	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)[C@H]2C=C[C@H]1C2	2215777121	QRZOBVCIDNBYFA-XKNYDFJKSA-N	235.287	-0.211	50	10	BBGE	
C[C@H](CO)CC1CN(C[C@H]2C[C@@H]2C(=O)NN)C1	2216703015	FGSRSTNURAGIFC-GDPRMGEGSA-N	241.335	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](OC(F)F)C1	2216785733	BCSWGMIEJPGFGY-BWZBUEFSSA-N	249.261	-0.074	50	10	BBGE	
COC(C)(C)[C@@H](C)Nc1ccc(B(O)O)cn1	2217179675	AUDHXWVDSWWGGM-MRVPVSSYSA-N	238.096	-0.013	50	10	BBGE	
CN(C)C(C)(C)CNc1cc(B(O)O)ccn1	2217181104	YICDUKQIHZTCPI-UHFFFAOYSA-N	237.112	-0.487	50	10	BBGE	
CO[C@H](C)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185254	ZSEZJKPYIMFYNA-RNFRBKRXSA-N	242.059	-0.264	50	10	BBGE	
Cc1c[nH]c(=NCCOC(F)F)cc1B(O)O	2217185639	ZRWSGYKOVRCNBS-UHFFFAOYSA-N	246.022	-0.857	50	10	BBGE	
CO[C@@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217203938	CFVQGPRWCFFSNM-NXEZZACHSA-N	236.080	-0.259	50	10	BBGE	
N[C@]12CC[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2220072955	RCNSRKIRRFPBTE-AAEUAGOBSA-N	246.119	-0.711	50	10	BBGE	
CN1CC[C@@](C)(CNc2cc(B(O)O)ccn2)C1	2223640499	LLHAJFBAKXKADQ-LBPRGKRZSA-N	249.123	-0.485	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCCO[C@@H]32)cc1B(O)O	2223644204	GDQVFCQTVQFUCB-AXTRIDKLSA-N	248.091	-0.341	50	10	BBGE	
Cc1cnc(N2CCC(CN)CC2)cc1B(O)O	2223647677	BKKFAOGIVCNOTH-UHFFFAOYSA-N	249.123	-0.755	50	10	BBGE	
Nc1ccc(COc2ncc(B(O)O)cn2)cc1	2223659634	BIHGPNCYWKYCIR-UHFFFAOYSA-N	245.047	-0.682	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CC[C@]23CCCO3)c1	2223679300	NUOHKVVWMQHULG-ZYHUDNBSSA-N	248.091	-0.115	50	10	BBGE	
COC(=O)[C@H](CN)N[C@H]1C[C@H](Cl)C1	2241655040	HHSAODLGWPTPCG-ACZMJKKPSA-N	206.673	-0.154	50	10	BBGE	
C[C@@H](CN1CC[C@H](O)[C@@H]1C)C(=O)NN	2242162304	LPLCSRWGJQAZLL-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC1CCC1	2243349498	MKBLWAFFMVDRQS-UHFFFAOYSA-N	223.037	-0.450	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC=C(F)C1	2243350048	UVMLQUBFWXALMS-UHFFFAOYSA-N	241.052	-0.263	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)c1ccc(B(O)O)o1	2243356373	GWVPPBQIHSAEFB-NTSWFWBYSA-N	243.455	-0.684	50	10	BBGE	
C=C1CC(NC(=O)c2csnc2B(O)O)C1	2243377536	BBHIFEISXFQCNK-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
O=C(NCCc1cnsc1)[C@H]1C[C@@H]1B(O)O	2243383579	ZHZZCPBSCWHREI-YUMQZZPRSA-N	240.093	-0.335	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243396897	SHWNRMOJDCIPPC-DKATWDMPSA-N	229.085	-0.221	50	10	BBGE	
CCC[C@@H](COC)N(C)C(=O)C#CB(O)O	2243400690	GKLNMTLDOUTAGL-VIFPVBQESA-N	227.069	-0.725	50	10	BBGE	
CC(C)(C)SC1CN(C(=O)C#CB(O)O)C1	2243401025	LDSQQROLCKUBNV-UHFFFAOYSA-N	241.121	-0.256	50	10	BBGE	
CO[C@H]1CCC[C@H](NC(=O)C#CB(O)O)C1	2243401134	MPQRRHCGKCOBJB-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1nscc1B(O)O	2243410195	WUNBHORMACGJSE-VDTYLAMSSA-N	240.093	-0.649	50	10	BBGE	
Cc1nc(=NC(=O)C2CC(B(O)O)C2)s[nH]1	2243413886	PFEUOSZXQRDSFO-UHFFFAOYSA-N	241.081	-0.540	50	10	BBGE	
C=CC(=O)N(C)Cc1ccc(B(O)O)cc1	2243674810	NXBWGRXCSCYMRM-UHFFFAOYSA-N	219.049	-0.489	50	10	BBGE	
Cc1cc(Cl)c(B(O)O)cc1NC(=O)CO	2243674827	ODXDFVCUVDDAOO-UHFFFAOYSA-N	243.455	-0.741	50	10	BBGE	
C=CCN(OC)C(=O)c1sccc1B(O)O	2244272204	NPUSQYITJAGJMG-UHFFFAOYSA-N	241.077	-0.383	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3COC[C@H]2C3)CC1	2244493937	YIFOMYJNOWBOMM-DTWKUNHWSA-N	225.292	-0.523	50	10	BBGE	
Cc1cc(B(O)O)cnc1SCC1COC1	2244516904	RRSPQIOEFPSZIG-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
CC(C)(C(=O)NCCC#CB(O)O)C1CC1	2244548490	QIAINJKUOKCGQG-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H](O)C[C@@H]2CCCC[C@@H]21	2246603754	TUPWHVJBFKARIN-YIZRAAEISA-N	241.291	-0.872	50	10	BBGE	
C[C@@H](COC(F)F)Oc1ccncc1B(O)O	2246664992	DCGVRGKSHWJSES-LURJTMIESA-N	247.006	-0.232	50	10	BBGE	
O=C(N1[C@H]2CCC[C@H]1CNC2)C1(B(O)O)CC1	2247756127	LHLRPQHVMCLKHW-IUCAKERBSA-N	238.096	-0.654	50	10	BBGE	
CC1(C)CC(NC(=O)c2n[nH]cc2B(O)O)C1	2247784217	QWYQAELCPUQXRM-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
COC[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)C(C)C	2247796647	BQBRFSQVKFJSDI-IVZWLZJFSA-N	243.112	-0.116	50	10	BBGE	
CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1O	2247797680	MBCMVRCVSXBZLK-FNCVBFRFSA-N	241.096	-0.628	50	10	BBGE	
CC(C)N(C)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247799422	CXECHFUHGUJVLJ-UTLUCORTSA-N	242.128	-0.306	50	10	BBGE	
CCCN(C(=O)c1c[nH]nc1B(O)O)C1CC1	2247800630	QVIMHRMBTXBOSX-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
CN1CCC[C@]1(C)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247809842	RPFIDRXSYOBBRE-WCABBAIRSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CCO1	2247810428	XHTRKUQSSMAEJI-GUBZILKMSA-N	241.096	-0.123	50	10	BBGE	
CC(C)(NC(=O)c1ccc(B(O)O)o1)C(F)F	2247842001	OEVDAQPVIIDLGB-UHFFFAOYSA-N	247.006	-0.267	50	10	BBGE	
CCC1(CC)C[C@H](NC(=O)C#CB(O)O)CO1	2247849513	AWRWGICWSWFJLY-VIFPVBQESA-N	239.080	-0.534	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)C#CB(O)O)CCO1	2247850216	LKUUQIJYSFJHIQ-ZJUUUORDSA-N	239.080	-0.678	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)c[nH]2)C[C@H]1C	2247851492	ZEPRAEOYMNPXES-FJXKBIBVSA-N	236.080	-0.531	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCO2)c1	2247873428	BKOHVMOARZQVHV-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@@H](C)CF	2247875443	YPXQRPNTXFJEOQ-QMMMGPOBSA-N	239.055	-0.237	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1occc1B(O)O	2247878841	OCHLFKNKBQYSRF-JIGDXULJSA-N	237.064	-0.409	50	10	BBGE	
CON(CCC(=O)O)C(=O)C1(B(O)O)CCC1	2248586720	GDDSAOIFLIAUFL-UHFFFAOYSA-N	245.040	-0.752	50	10	BBGE	
C=C1CC(NC(=O)[C@@H]2C[C@H]2B(O)O)(C(=O)O)C1	2248587579	RLPWBUAOKZSLIS-RNFRBKRXSA-N	239.036	-0.861	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)C1(CC(=O)O)CC1	2248589222	NHBPPNKDWVXCKB-UHFFFAOYSA-N	241.052	-0.541	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1ncncc1B(O)O	2248687448	DBSLAJSPIBFDFN-JGVFFNPUSA-N	233.080	-0.609	50	10	BBGE	
C[C@H]1CCC(=O)N1C(=O)c1cc(B(O)O)co1	2249417710	JYEMILONBUPHBT-LURJTMIESA-N	237.020	-0.890	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@H]2C1	2249427264	DASRDUOYFUDTGO-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H](C1)[C@H]2O	2249557617	JMJDEJGINWJKJI-RNLVFQAGSA-N	249.261	-0.686	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H]3CC[C@H]32)n1	2254704286	BHSCAAWWGHDKDN-PSASIEDQSA-N	248.091	-0.241	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)c1ncc[nH]1	2255469307	NJLJGBSVSCGWCH-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1ncccc1B(O)O	2255524146	VZXDTNLSAXYUGS-SECBINFHSA-N	246.075	-0.448	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(C)c(B(O)O)o1)C1CC1	2255578268	FNMFAZLLIAOYHH-SECBINFHSA-N	247.059	-0.591	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)C1CC=CC1	2255716969	GRWXDABCLYFCGU-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
O=C(NCCCC1CC1)c1ccc(B(O)O)cn1	2255718103	UDNGFUNHCOWRKR-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NC1[C@@H]2CC[C@@H]12	2255727506	QOZUHCNDVAJHMK-NXEZZACHSA-N	245.087	-0.187	50	10	BBGE	
CC(C)(C)C#CCNC(=O)c1occc1B(O)O	2255734084	VPVMJUBQABSWME-UHFFFAOYSA-N	249.075	-0.261	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)NC1[C@H]2CC[C@H]12	2255921172	VLTUBDUCIUGSRW-YUMQZZPRSA-N	246.075	-0.104	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@@H]2CC[C@H]21	2258127826	LPOXMVJTKARPFI-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CCC[C@H]1C2	2258131105	QFEVRARRQUDDGZ-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCC[C@@H]1O	2297943273	CNIOUBVVCWMWHO-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368825	ZUCMQLIEDXYMHU-QCLAVDOMSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1C	2298370014	LIZJEAFDDKZJEU-QEYWKRMJSA-N	240.112	-0.552	50	10	BBGE	
COC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C	2298377158	GSIRGPLKPLRSPU-ZYUZMQFOSA-N	241.096	-0.410	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1CC[C@@H]1N	2301346141	NRNIGQLLWZJKHG-GXSJLCMTSA-N	231.064	-0.860	50	10	BBGE	
COc1nc(C(=O)N2CC[C@@H](B(O)O)C2)co1	2303111473	JRSKNEKWCFMLHR-ZCFIWIBFSA-N	240.024	-0.628	50	10	BBGE	
CCn1nnc(CN2CC[C@](C)(B(O)O)C2)n1	2303135251	CKKPFWATNLYNMO-VIFPVBQESA-N	239.088	-0.868	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(N(C)C(C)=O)C1	2307910693	ZAZACDQSNLFKLT-SNVBAGLBSA-N	242.323	-0.693	50	10	BBGE	
C=C1COC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317150115	AZVKSMZQDCSRRM-LBPRGKRZSA-N	244.059	-0.395	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1C=CCN1	2317205439	FAVIOOCSWOKVNL-LLVKDONJSA-N	244.059	-0.855	50	10	BBGE	
C=C1C[C@H]1C(=O)Nc1cc(B(O)O)ccc1OC	2319324665	YRGWHTGRKLPSLV-SECBINFHSA-N	247.059	-0.110	50	10	BBGE	
CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)nc1	2328044707	PPTDCWMCHZIHSZ-RKDXNWHRSA-N	249.079	-0.051	50	10	BBGE	
CN(Cc1ccccc1F)C(=O)C(=O)NN	42436919	YXDQFZHZASEECN-UHFFFAOYSA-N	225.223	-0.226	50	10	BBGE	
C[C@@H](CN(CCC#N)CCC#N)C(=O)NN	58863275	KNOCEJOYYXVYDD-VIFPVBQESA-N	223.280	-0.258	50	10	BBGE	
CCN1CCN(CCCC(=O)NN)C[C@@H]1C	82485326	UAKVYMVSTCWFRD-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
C[C@H]1C(=O)N(CCCC(=O)NN)C(=O)[C@@H]1C	86017272	WJHRYHVZINIOAS-RNFRBKRXSA-N	227.264	-0.603	50	10	BBGE	
CN(C)NC(=O)N(C)[C@@H]1COC[C@H]1C(=O)O	149054943	XJXSMQVBOGRXOQ-RNFRBKRXSA-N	231.252	-0.796	50	10	BBGE	
CCOCc1cc(OC)ccc1B(O)O	203581841	PHYKNLNEMWLNQR-UHFFFAOYSA-N	210.038	-0.089	50	10	BBGE	
N#C[C@H](Cl)CN1CCOC[C@H]1C(N)=O	228520691	NBNWMBDGIDNYKV-BQBZGAKWSA-N	217.656	-0.697	50	10	BBGE	
C[C@H]1CN(C)CCN1C[C@@H](C)C(=O)NN	235587206	LZCVDJOUUWVPHW-BDAKNGLRSA-N	214.313	-0.752	50	10	BBGE	
CC[C@H](CO)NC(=O)NC=C(C#N)C#N	238308469	IPDROIWKOVGDFN-MRVPVSSYSA-N	208.221	-0.012	50	10	BBGE	
CC1=CC(NNC(N)=O)=C(C)C(=O)C1=O	238464136	LFCVHIRYEVAGTK-UHFFFAOYSA-N	209.205	-0.469	50	10	BBGE	
Nc1nccc(B(O)O)c1Br	238697428	HBYVDBNMXYAOQC-UHFFFAOYSA-N	216.831	-0.894	50	10	BBGE	
O=C(O)CNC(=O)C(=O)NN=Cc1ccccc1	242463453	DBMYUDBHVGYZPH-UHFFFAOYSA-N	249.226	-0.663	50	10	BBGE	
O[C@@H]1COCCN(C[C@@H](O)CCl)C1	306651859	CGWKDRVNEIQJJN-YUMQZZPRSA-N	209.673	-0.721	50	10	BBGE	
Nc1ccc2sc(B(O)O)cc2c1N	306655576	YGRFXMSDKQNSEN-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
Nc1cc2c(B(O)O)ccc(N)c2s1	306690282	PCCMLNRJQIYRRT-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C=CCSCCn1cc(C(=O)NN)nn1	308789101	BTRKCWYNRZKXDC-UHFFFAOYSA-N	227.293	-0.199	50	10	BBGE	
CC[C@H](C)[C@@H](N)C(=O)NNC(=O)C1CC1	308854528	SLQJGIKORWPZOD-POYBYMJQSA-N	213.281	-0.083	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1cc(Cl)c[nH]1	309368803	BOMAHAJMEJKUOS-BYPYZUCNSA-N	230.655	-0.224	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]2[C@H]1B(O)O	310253159	XFEHKJZBALGSSC-KDXUFGMBSA-N	240.112	-0.781	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CCCCC(=O)NN	384859393	DCWFBBPTNRGBET-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CCN(CCCO)Cc1nc(C(=O)NN)co1	386964109	KPMIHXWSKCYXQY-UHFFFAOYSA-N	242.279	-0.518	50	10	BBGE	
NC(=O)N1CC[C@H](NC(=O)CCCl)C1	393268819	YXSIZMJLCGAXTR-LURJTMIESA-N	219.672	-0.116	50	10	BBGE	
CN1CC(=O)N(CCC(C)(C)C(=O)NN)C1=O	395601613	CISNEXRHSDPBCB-UHFFFAOYSA-N	242.279	-0.713	50	10	BBGE	
CC(C)(CCN1CCNCC1)C(=O)NN	395643816	YBUJGVSUJGFTPK-UHFFFAOYSA-N	214.313	-0.702	50	10	BBGE	
C[C@H](O)CN(CCO)[C@H](C(=O)NN)C(C)(C)C	395689995	WXJDAFKGKDKBDQ-DTWKUNHWSA-N	247.339	-0.934	50	10	BBGE	
O=C(O)c1cc2sccc2c(O)c1B(O)O	396374770	BQZSGHYPHNUHTQ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	405002697	MXWAXTVGRPZXEG-SSDOTTSWSA-N	207.038	-0.437	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CC1CC(C)C1	691957895	WAGNSJAVHFJDSP-RTBKNWGFSA-N	229.324	-0.031	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(N(C)C)C1	695087582	PFIYPWVMOURILE-JTQLQIEISA-N	228.340	-0.363	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CCS(=O)CC1	695103377	VYCGESKDCYIXLZ-VIFPVBQESA-N	247.364	-0.545	50	10	BBGE	
COC[C@@H]1CCCN1[C@H](C)CC(=O)NN	696548806	MBJGGYYWHMPEJP-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
COCCSCC(=O)NNC(N)=O	700843195	COVZJGLDSJLRKP-UHFFFAOYSA-N	207.255	-0.935	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702299536	FSDDEVXPVXRRRU-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
COC1CC(CN(C)C[C@@H](C)C(=O)NN)C1	703369151	MPVUJTPIGRYPDZ-XNWIYYODSA-N	229.324	-0.031	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H](COC)C1	705869841	QIPKAVSSICQAFS-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)CCn1cnnc1	707425063	HRRXENCKGRXLDP-RKDXNWHRSA-N	240.311	-0.776	50	10	BBGE	
CN(C)C(=O)N1CCc2cc(B(O)O)ccc21	712146157	KHTRBAKLOMNGQW-UHFFFAOYSA-N	234.064	-0.590	50	10	BBGE	
COCC(C)(C)COc1cncc(B(O)O)c1	712673798	KIQUPKQVDKTERE-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
Cc1nn(C)cc1CN(C)[C@H](C)CC(=O)NN	716411614	AVARTRRCXHTKPR-MRVPVSSYSA-N	239.323	-0.071	50	10	BBGE	
CN(CCCF)C[C@H]1CC[C@H](C(=O)NN)O1	716693009	ZTHFDFBSJPTKKX-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
O[C@H](CCl)CN1CC[C@@H](O)[C@@H](F)C1	725646872	YDFIUJUQLQMGLA-GJMOJQLCSA-N	211.664	-0.009	50	10	BBGE	
NC(=O)[C@@H]1CCN1c1nnc(CCl)o1	757151029	XANNTILSBUPHIC-BYPYZUCNSA-N	216.628	-0.128	50	10	BBGE	
CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cn[nH]c1	863153582	WWOFZRHLIDCORD-QMMMGPOBSA-N	235.247	-0.472	50	10	BBGE	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COC(=O)N1	863866202	BKXBVFMUJRUTAV-LURJTMIESA-N	243.263	-0.322	50	10	BBGE	
NC(=O)C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1	924441469	ODRBNJYQEVGRQW-SCDXWVJYSA-N	233.065	-0.677	50	10	BBGE	
COC(=O)N(C)NC(=O)N[C@H]1CCN(C)[C@H]1C	925345583	QYTNOLQRNZYFFY-YUMQZZPRSA-N	244.295	-0.009	50	10	BBGE	
O=C(NNC(=O)c1ccnnc1)NC1CC1	1464481690	MQDWURVWUIRKAE-UHFFFAOYSA-N	221.220	-0.417	50	10	BBGE	
C=CCOCC(=O)NNc1nccn(C)c1=O	1472524146	IXPALPWMKSSLAZ-UHFFFAOYSA-N	238.247	-0.574	50	10	BBGE	
CNC(=O)NNC(=O)c1cnn2cc(C)cnc12	1543664301	MGSJODQBLUDZPY-UHFFFAOYSA-N	248.246	-0.388	50	10	BBGE	
COCCN(C)NC(=O)/C=C\C(=O)N(C)C	1627335943	GXWGUDXSFBOKRS-WAYWQWQTSA-N	229.280	-0.760	50	10	BBGE	
NC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)[nH]1	1638328108	GHQFDQAFEGCKGM-UHFFFAOYSA-N	245.242	-0.313	50	10	BBGE	
O=C([C@H]1C[C@@H]1Br)N1CC(O)C1	1880430961	VXRFQTDDKFODTL-WDSKDSINSA-N	220.066	-0.027	50	10	BBGE	
O=C(NC[C@@H](O)CO)[C@H]1C[C@@H]1Br	1881354087	SLUIBFJRBJYPPR-SRQIZXRXSA-N	238.081	-0.761	50	10	BBGE	
CS[C@@H](C(=O)NNC(N)=S)C1CC1	1886805403	YOWMYWRGVPVGPD-RXMQYKEDSA-N	219.335	-0.008	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)CCl	1888564151	YBARHQYHWSZQFG-UHFFFAOYSA-N	214.674	-0.462	50	10	BBGE	
N[C@H](CC(=O)NC[C@H]1C[C@H]1Cl)C(=O)O	1893120951	ZJMNPCGZDJAFQG-HSUXUTPPSA-N	220.656	-0.468	50	10	BBGE	
N#C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1Cl	1893453455	NCWAAIQRJXLALS-PRJMDXOYSA-N	213.668	-0.062	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1894666225	OFTFWMNPNPLJAF-UYAYMFIHSA-N	227.308	-0.685	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@@H]3C2)nc1	1895125282	BOZBRKFVNILPQI-HTQZYQBOSA-N	219.053	-0.997	50	10	BBGE	
CO[C@@H]1C[C@H]1COc1ccc(B(O)O)cc1	1896323784	AIJJYAXGKFSXHU-GZMMTYOYSA-N	222.049	-0.220	50	10	BBGE	
COCCOCCN1CC[C@@](C)(B(O)O)C1	1902516741	DSDYTEZBBRXFIC-SNVBAGLBSA-N	231.101	-0.412	50	10	BBGE	
CCN1CC[C@H](N2CC[C@H](B(O)O)C2)C1=O	1902528936	KMCUEJZFCBJQKU-IUCAKERBSA-N	226.085	-0.844	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]2CC1=O)C(=O)NN	1912338514	DAIZDDTVBDVWEH-CSMHCCOUSA-N	211.265	-0.519	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@H]1C[C@@H]1C1CC1	1913605403	GCGZWTFUNAGZDI-BDAKNGLRSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCOCC2)C1	1915590351	OBJQRPSZAJCRKB-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC2(CCOC2)C1	1915590660	QWFZOBKRLLPBCH-DTWKUNHWSA-N	225.292	-0.665	50	10	BBGE	
O=C(Cc1ncc[nH]1)NNC(=O)C(F)(F)F	1923408017	QGRAHSILHLMQIG-UHFFFAOYSA-N	236.153	-0.338	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@@H]1C[C@H]1C(=O)NN	1927915520	IEWHFPQDWDXCLJ-XAVMHZPKSA-N	214.265	-0.336	50	10	BBGE	
CN(C[C@@H](Cl)C(=O)O)C1CS(=O)(=O)C1	1932011777	MYDGAYUAPZXUEK-ZCFIWIBFSA-N	241.696	-0.593	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(C(F)(F)F)C1	1932132878	AINKYSABVYUJCM-BYPYZUCNSA-N	211.187	-0.141	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CC1(F)F	1933033562	ZMKIUULHJYCUGF-ZCFIWIBFSA-N	207.224	-0.047	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CCCC(=O)NN)C1	1934918183	RNRGFWJCZFAJTQ-DTORHVGOSA-N	215.297	-0.134	50	10	BBGE	
CO[C@@H]1CC[C@@H]2CN([C@@H](C)C(=O)NN)C[C@@H]21	1935840458	VMJMZZGPKYTCRU-QCLAVDOMSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@H](OCC(N)=O)C1	1936462665	DJCIAPPLQHAPQU-SFYZADRCSA-N	248.710	-0.036	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CC1(C(=O)NN)CC1	1939642035	RTLJCCVCWGURQP-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C[C@H]1C[C@@H]1C(=O)NN	1941074988	WOVWUYKUAHFMHA-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@H](CCO)C1	1941088833	SEJIVPCGXAKASP-GMTAPVOTSA-N	241.335	-0.293	50	10	BBGE	
CN(C)NC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)O	1943151227	VIEVBWKPWCLXKU-ZETCQYMHSA-N	239.235	-0.463	50	10	BBGE	
O=C(N=C=S)[C@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1954212477	QQXCVPUQVXMDCU-FMCRUOTFSA-N	217.271	-0.094	50	10	BBGE	
C[C@H](CN)SC[C@H]1C[C@@H]1C(=O)NN	1954406783	OEIVPCKHTIBMAC-QYNIQEEDSA-N	203.311	-0.307	50	10	BBGE	
CC(C)(C)[C@@H]1OCCC[C@]1(N)B(O)O	1955483809	RTOAFAFETNZPQH-IONNQARKSA-N	201.075	-0.079	50	10	BBGE	
C[C@@]12CCCN(CC(=O)NN)[C@H]1COC2	1958559961	VDSHGRAFIQOTEW-WPRPVWTQSA-N	213.281	-0.523	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O	1958805142	PYGVIVQWLFTYCN-VCQFTWBDSA-N	233.695	-0.044	50	10	BBGE	
O=C(N1CCSSCC1)C1(CO)CNC1	1961385842	USOCOSBVWOKIAL-UHFFFAOYSA-N	248.373	-0.208	50	10	BBGE	
NNC(=O)c1sncc1Cn1ccnn1	1961919647	RSJNWIRFJGNXPS-UHFFFAOYSA-N	224.249	-0.614	50	10	BBGE	
NC(=O)[C@H]1OCC[C@@H]1NC(=O)CCCCl	1962120692	CYZLKEZESPUCEF-XPUUQOCRSA-N	234.683	-0.236	50	10	BBGE	
C#CC1CN(C(=O)c2cccc(B(O)O)c2)C1	1965009175	PVTJKNZQNXFZAW-UHFFFAOYSA-N	229.044	-0.928	50	10	BBGE	
NNC(=O)NCc1cccn2cnnc12	1974520251	ZNLTYNNQNIRTAO-UHFFFAOYSA-N	206.209	-0.598	50	10	BBGE	
CC(C)(CN1C[C@@H]2CCO[C@H]2C1)C(=O)NN	1981241895	IDNLHGQLSAVOPT-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CCCN(c1ncncc1B(O)O)C(C)C	1981416176	MNQDXZMSSRGTTN-UHFFFAOYSA-N	223.085	-0.219	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)[C@@H]1C	1981424850	ZIKKFUIUXZSYBE-RKDXNWHRSA-N	220.081	-0.004	50	10	BBGE	
CC[C@H](COC)Oc1ccc(B(O)O)cn1	1981429819	IEGOPVHMMNLGSE-SECBINFHSA-N	225.053	-0.435	50	10	BBGE	
CCn1nnc(CN(C)C[C@H](Cl)C(=O)O)n1	1992054666	WASDOGXZEKQXKX-LURJTMIESA-N	247.686	-0.183	50	10	BBGE	
CC(F)(F)C1(C(=O)NCC#CB(O)O)CC1	1992152358	DKIONYWWSLDCRZ-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1	1992377194	LCNQRXZTSJJVPW-SRQGCSHVSA-N	225.292	-0.241	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)C12CCC2	1993528379	JRYJKAXLROXIFJ-CIUDSAMLSA-N	227.308	-0.400	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)Cc1ncno1	1997738042	GXAALMRUEOAWHS-QMMMGPOBSA-N	241.295	-0.094	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](OC)C[C@H](OC)C1	2001044742	BROMEHFITUZBGC-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
CC(C)c1cnn(-c2ncc(B(O)O)cn2)c1	2005004415	GGCQMHRZCREZHH-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CCO[C@H]2C[C@@H]21	2005018705	XHJPMFDBNBNEHB-UWVGGRQHSA-N	234.064	-0.953	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@H]1C(F)F	2014926884	SWWFPBLRPZSIIO-ZETCQYMHSA-N	245.997	-0.256	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1C[C@H]2CCCC[C@H]21	2021156655	ASNBVMDVGXQRPU-GMTAPVOTSA-N	235.092	-0.056	50	10	BBGE	
CC(C)[C@@H](OCC1COCCOC1)C(=O)NN	2024301413	XJIFKUMLBSIHLR-SNVBAGLBSA-N	246.307	-0.320	50	10	BBGE	
Cc1nccnc1CN(C)C[C@@H]1C[C@H]1C(=O)NN	2028050610	ILTSHXXPEHINLX-VHSXEESVSA-N	249.318	-0.157	50	10	BBGE	
Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1B(O)O	2052554916	BNVPGNXFXYDEKD-DTORHVGOSA-N	249.123	-0.053	50	10	BBGE	
O=c1c(B(O)O)cccn1CC12CC(CCO1)C2	2058958328	KNEDCGZRXNEDJN-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
N#Cc1c(B(O)O)ccc(Cl)c1C=O	2060093617	AGCOSLOHBAJTSE-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
CCOc1c(C)ccc(C#N)c1B(O)O	2060204419	ZWNFQBOHNRQIMJ-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
COc1cc(C#N)c(OC)c(B(O)O)c1	2060287771	WUNIQJRWKLGWHC-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)cc1O	2077484767	YYCRNYNUMGMEAE-UHFFFAOYSA-N	249.031	-0.854	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccccc1B(O)O)C1CC1	2079008398	JADIXDHYLJPIQZ-GFCCVEGCSA-N	243.071	-0.492	50	10	BBGE	
NNC(=O)C1(CS[C@H]2CCNC2)CC1	2210075496	JPOJILJCOXZLKW-ZETCQYMHSA-N	215.322	-0.148	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)C[C@@H](F)C2)CC1	2210695888	QEFAOCXULSDVGC-HTQZYQBOSA-N	231.271	-0.839	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCOCCO1	2211838759	LETVBZKRJRYAOW-BDAKNGLRSA-N	229.280	-0.734	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC(O)CC1	2211839848	ZZUWMXFGKWYOGS-WPRPVWTQSA-N	227.308	-0.541	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@@H]2C[C@@H]2C1	2212273825	NBSDWNMHAOENLQ-MYJAWHEDSA-N	225.292	-0.116	50	10	BBGE	
C#C[C@@H](Nc1ccc(B(O)O)cn1)C(C)C	2212601919	WBFFCMPBVSEUCL-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
CCC[C@H](N)CNc1ncccc1B(O)O	2212602406	CXBBOHAPHWTHHF-QMMMGPOBSA-N	223.085	-0.699	50	10	BBGE	
CCSC[C@@H](C)Nc1ncc(B(O)O)cn1	2212610119	CNUVNVGGYKKMCO-SSDOTTSWSA-N	241.125	-0.290	50	10	BBGE	
CC[C@@H](CCCO)Nc1ncccc1B(O)O	2217179110	GMEPCXDBHOOGPD-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
Cc1cnc(N[C@@H](CO)C(C)C)cc1B(O)O	2217180236	RIWDOUDBHGVHKN-JTQLQIEISA-N	238.096	-0.501	50	10	BBGE	
C[C@@H]1C[C@H](Nc2nccc(B(O)O)c2F)CN1	2217182807	HBLBTBSSJMLJIU-RQJHMYQMSA-N	239.059	-0.937	50	10	BBGE	
C[C@@H](Oc1ccc(B(O)O)cn1)[C@H]1CCCN1	2217191539	KMIUMKUNCQWFQN-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2cc(B(O)O)ccn2)O1	2217198519	CBDNCXXXEXRJIZ-SCZZXKLOSA-N	236.080	-0.259	50	10	BBGE	
CO[C@H]1C[C@H]1CN(C)c1cc(B(O)O)ccn1	2217199372	LUTZEDWVCKEAES-WPRPVWTQSA-N	236.080	-0.768	50	10	BBGE	
C[C@H]1CN(Cc2cccc(B(O)O)c2)C(=O)N1C	2220060883	AITMJJSFUNOKLQ-VIFPVBQESA-N	248.091	-0.378	50	10	BBGE	
C[C@@H]1CC[C@@H]1Cn1cnc2c(B(O)O)ncnc21	2220715275	LLXWNXYAOOWHLX-HTQZYQBOSA-N	246.079	-0.448	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CC23CCOCC3)nc1	2223634639	NFDQLMSSERVRDC-VIFPVBQESA-N	249.079	-0.863	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCO[C@@H]2C2CC2)nc1	2223646850	QDNKYMANWICOFQ-NXEZZACHSA-N	249.079	-0.864	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1c1ncccc1B(O)O	2223674341	KFYSHGYWSUOEBM-VIFPVBQESA-N	249.123	-0.533	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@@H]1Cl	2241574988	FBRIYZSAUUQBGM-RITPCOANSA-N	203.434	-0.702	50	10	BBGE	
OC[C@H](O)[C@@H]1CCN1C[C@H](O)CCl	2241810500	FBNHMGPWFNHVEY-CSMHCCOUSA-N	209.673	-0.986	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@H]1CCCSC1	2243350306	ZBBAFDOASDNMGI-BDAKNGLRSA-N	241.121	-0.350	50	10	BBGE	
C[C@H](CCN(C)C(=O)C#CB(O)O)C(F)F	2243362314	PHJHXOPRIJMSQB-SSDOTTSWSA-N	233.023	-0.249	50	10	BBGE	
C#CC1(F)CN(C(=O)C2(B(O)O)CCC2)C1	2243363247	CWQLEYUIYXTYHM-UHFFFAOYSA-N	225.028	-0.433	50	10	BBGE	
O=C(NCc1ncco1)C1(B(O)O)CCC1	2243363308	DUIOWTDIQCMJBS-UHFFFAOYSA-N	224.025	-0.312	50	10	BBGE	
C#C[C@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2243364818	CNEFMZBXUOOXBF-VIFPVBQESA-N	221.065	-0.089	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)cs1	2243385423	IPLSLTCSXBGHCB-QMMMGPOBSA-N	235.073	-0.724	50	10	BBGE	
COC(C)(C)CN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243395905	DQNGKFKRYMEYJV-JGVFFNPUSA-N	229.085	-0.267	50	10	BBGE	
O=C(C#CB(O)O)NCC1CC2(CCC2)C1	2243400396	AHZHAXUAXKRHCQ-UHFFFAOYSA-N	221.065	-0.302	50	10	BBGE	
CC1CC(CO)(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243419504	APHXMCPWTGOXMW-VHSUDJNHSA-N	227.069	-0.874	50	10	BBGE	
C=C[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2243754065	BICUTIJWOKJONX-LURJTMIESA-N	227.025	-0.861	50	10	BBGE	
COCC(COC)N1CCC(B(O)O)CC1	2244176698	JJVXXQPINGCILC-UHFFFAOYSA-N	231.101	-0.413	50	10	BBGE	
CC(C)CCS(=O)(=O)NCCC#CB(O)O	2244538694	XRJAXDVWAYJHLW-UHFFFAOYSA-N	247.125	-0.643	50	10	BBGE	
Cc1ncnc(N2O[C@H]3CC[C@H]2C3)c1B(O)O	2247071863	PPYLIZVSIZEFDR-YUMQZZPRSA-N	235.052	-0.862	50	10	BBGE	
O=C(N[C@@H]1C=CCCC1)c1coc(B(O)O)c1	2247732516	GTSKQZOZWIROHV-SECBINFHSA-N	235.048	-0.202	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1ccc(B(O)O)o1	2247738749	VFBNBTJUTFIQKA-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
O=C(C#CB(O)O)NCCSc1ccccc1	2247743156	ZOLAJKBSBIEVSJ-UHFFFAOYSA-N	249.100	-0.090	50	10	BBGE	
O=C(NC[C@H]1C[C@H](F)C1)c1cc(B(O)O)c[nH]1	2247744746	XNHTZKJUVZCANW-FKQCQYRASA-N	240.043	-0.828	50	10	BBGE	
CC1(C)CNCCCN1C(=O)C1(B(O)O)CC1	2247753680	JMYPNVLONSMHQG-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@H]1N	2247754317	FIQGFVXFEAFGMX-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
CO[C@H]1[C@@H](NC(=O)C2(B(O)O)CC2)CC1(C)C	2247755205	HUEQYBUXKZHYRH-YUMQZZPRSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247793019	WCAOHHYEDGHZNK-BBBLOLIVSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC(C)(C)O1	2247800826	TZGJDAFOFNSASW-VGMNWLOBSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@H]1COCC1(F)F)C1CC(B(O)O)C1	2247804292	GBIHGWDVBDTJOG-AHXFUIDQSA-N	249.022	-0.610	50	10	BBGE	
C[C@@H](CNC(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247850558	PRWSMGATEIGRFW-ZETCQYMHSA-N	236.080	-0.530	50	10	BBGE	
CN[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247860266	UOBOOGKTRRQVBQ-JXUBOQSCSA-N	240.112	-0.504	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1ncccc1B(O)O	2247866688	QKDKYZLZQAITTL-QMMMGPOBSA-N	234.064	-0.687	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ccoc1B(O)O	2247869219	NZSUQBYFCYVTHG-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247877640	CNEFCNCXSCLEON-BDAKNGLRSA-N	241.096	-0.218	50	10	BBGE	
CC(C)N(C)CCNC(=O)C1CC(B(O)O)C1	2247892811	IGPHOYYTRCZWSM-UHFFFAOYSA-N	242.128	-0.304	50	10	BBGE	
CC(C)COC1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899287	MCVMQOHXNYZOSS-UWVGGRQHSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1NCCC[C@H]1NC(=O)C1CC(B(O)O)C1	2247909212	GTDMNNYKNKYSGM-AUXWQGHOSA-N	240.112	-0.504	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC(C)(C)[C@@H]1CO	2247967832	MRSDIZYLOOFMNJ-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
Cc1c(CO[C@H]2CCOC2)cccc1B(O)O	2248222049	XLJHGWIHYNXPQU-NSHDSACASA-N	236.076	-0.020	50	10	BBGE	
CC(C)(CCC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248574703	UPMJJDIEQOYPFG-RQJHMYQMSA-N	243.068	-0.391	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248576295	FHIWMXPRFZWJTE-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
C=C[C@H]1COCCN1c1ccc(B(O)O)cn1	2249035213	DVTTWSGKNIANRA-JTQLQIEISA-N	234.064	-0.847	50	10	BBGE	
CN(C[C@H]1CCCCN1)C(=O)[C@H]1C[C@H]1B(O)O	2249159128	DGMRJKCASYMALG-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1CCC[C@H]1NC(=O)c1cocc1B(O)O	2249424496	TYTPVEWSNUNPPU-OIBJUYFYSA-N	237.064	-0.122	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2249429380	IICIAHTZWXDIBO-QMMMGPOBSA-N	233.032	-0.945	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2249623999	CPBRKKIUFNEFIB-ZJDVBMNYSA-N	239.080	-0.467	50	10	BBGE	
OB(O)c1cnc(N[C@@]23CCC[C@H]2CC3)nc1	2251126416	RIXMLBIKZPXDFS-GZMMTYOYSA-N	233.080	-0.099	50	10	BBGE	
N#CC1=CCN(C[C@@H]2CO[C@@H]3CNC[C@H]3O2)CC1	2253908189	SKUJYERTXYYARG-JHJVBQTASA-N	249.314	-0.102	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2CCC[C@@H]21	2255443660	CGCGGJGEVABBBX-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2ccc(B(O)O)o2)C1	2255460229	REVHMNIEVCNQQT-QMMMGPOBSA-N	249.075	-0.002	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1occc1B(O)O	2255481186	DKGFNMCEHXCGMW-BRPSZJMVSA-N	249.075	-0.265	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ncncc2B(O)O)C1	2255521168	SRVSCTPYIQVVFY-JGVFFNPUSA-N	249.079	-0.925	50	10	BBGE	
O=C(Nc1ccccc1O)c1cc(B(O)O)c[nH]1	2255671566	SWJNNTZVQSFTIG-UHFFFAOYSA-N	246.031	-0.348	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@H]2C[C@H]2CC1=O	2298165383	YIUQBBJSSJJZCF-AXTSPUMRSA-N	237.303	-0.129	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)C1(B(O)O)CC1	2298368142	PLNUARJOTRXIHX-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298369629	ADRIWVBKZMGSAV-KYXWUPHJSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H](C)[C@@H]1C	2298369790	FMQHXBSTHUTOKL-QMGXLNLGSA-N	239.080	-0.121	50	10	BBGE	
CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H]1C[C@H]1B(O)O	2298376971	ZUCMQLIEDXYMHU-ZYUZMQFOSA-N	241.096	-0.531	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@H](O)CC[C@H]2C1	2298376992	AMJMUBAPYZHTRA-VAPHQMJDSA-N	239.080	-0.921	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCNC(=O)[C@H]1C	2302061572	TWKHIIMCNXXYOZ-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2C[C@H]1C[C@H]2N(C)C	2302401959	QFIAKUJROLPHPH-XWLWVQCSSA-N	240.351	-0.221	50	10	BBGE	
CCN1CCC[C@H](N2CC[C@@H](B(O)O)C2)C1=O	2303157540	AAEJZYKULUEXHK-ZJUUUORDSA-N	240.112	-0.454	50	10	BBGE	
C[C@]1(B(O)O)CCN(CCN2CCCC2=O)C1	2303159130	OXDFIFXTFCSPJJ-NSHDSACASA-N	240.112	-0.452	50	10	BBGE	
CC[C@](C)(CN1CC2(CC(O)C2)C1)C(=O)NN	2303424209	OQGSBFGKRFTJES-LLVKDONJSA-N	241.335	-0.151	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1ccccc1B(O)O	2307376739	FMABPBMUOLPZMR-ZKCHVHJHSA-N	237.039	-0.403	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O	2312614308	HIXBVLMBSVZZGG-OINDSLJFSA-N	248.091	-0.667	50	10	BBGE	
N[C@H]1C[C@@H](COc2ccc(B(O)O)cn2)[C@@H]2C[C@H]12	2312614598	ZGUHBBFXIJXUEJ-ASXGKARISA-N	248.091	-0.877	50	10	BBGE	
N#CCCC1CN(C(=O)c2ccc(B(O)O)o2)C1	2316038492	BQRZOXXWVBMZNP-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCCNC1	2317165813	ONQLEPIAFGGFPW-NSHDSACASA-N	245.091	-0.598	50	10	BBGE	
CC(C)(SS(=O)(=O)O)[C@H](N)C(=O)O	32213214	FXVDYYJCEPCGJJ-GSVOUGTGSA-N	229.279	-0.287	50	10	BBGE	
O=C(CBr)N[C@@H]1CCOC1=O	34215553	ARQNMQBSMYUHQD-SCSAIBSYSA-N	222.038	-0.187	50	10	BBGE	
Nc1c(NNC(=O)c2cccnc2)nc[nH]c1=O	40793989	NCPCRXMMFDVILI-UHFFFAOYSA-N	246.230	-0.496	50	10	BBGE	
CC(C)N(CCO)C[C@@H](C)C(=O)NN	58841159	JWBNJFCGXUHBGR-MRVPVSSYSA-N	203.286	-0.685	50	10	BBGE	
CCN(CC)CCNC(=O)CCCC(=O)NN	58848288	JMAKSTUOFABACQ-UHFFFAOYSA-N	244.339	-0.395	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](CN)C1	82468092	VXFKEJIKMYSOBO-HTQZYQBOSA-N	200.286	-0.965	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nc(N)cc(N)n1	82472908	WGWWTNPJXSMXDC-SCSAIBSYSA-N	242.308	-0.498	50	10	BBGE	
O=C(CCCCCl)NC(CO)CO	83692221	HBNUNQTYEWAVQF-UHFFFAOYSA-N	209.673	-0.135	50	10	BBGE	
CCCS(=O)(=O)N1CCOC[C@H]1N=C=O	83877850	CAIVHQATVIJHTG-QMMMGPOBSA-N	234.277	-0.280	50	10	BBGE	
Cc1cc(=O)n(CC(C)(C)C(=O)NN)c(C)n1	93728294	JVPGAHDYGAKISQ-UHFFFAOYSA-N	238.291	-0.124	50	10	BBGE	
O[C@H]1[C@@H](O)[C@H](O)O[C@H](CCl)[C@@H]1Cl	105286693	ZIBMGOYQTGGDCE-AIECOIEWSA-N	217.048	-0.728	50	10	BBGE	
COc1cc(B(O)O)cc(OC)c1N(C)C	197572902	UIJCYPYCMAFWMG-UHFFFAOYSA-N	225.053	-0.550	50	10	BBGE	
CC(=O)Nc1noc2ccc(B(O)O)cc12	201713558	YGZINMFZYHXSSU-UHFFFAOYSA-N	219.993	-0.534	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)[C@@H](C)CO1	216472427	NKZVINZIQKLVAX-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](O)CCN(C)CCCCC(=O)NN	220008937	NEJNWVYTLSLABO-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NN	228919721	QHXSZQNCMVZKRO-BRDIYROLSA-N	213.281	-0.491	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1F)C1CC1	238573603	BBURCVXSRDVZPD-JTQLQIEISA-N	209.029	-0.085	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@H](C)[C@H](C)C(=O)NN	252610168	ULWLDNUQUTUHHV-DTWKUNHWSA-N	244.339	-0.543	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@H](OC)C1	299995198	HBTNFJDUUASXIJ-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1CC(=O)NN	307276496	WMBUIMWOBMTIIT-JGVFFNPUSA-N	200.286	-0.999	50	10	BBGE	
CCN(C)NC(=O)CS(=O)(=O)CC	308331603	IZSJVSYFQWHBMY-UHFFFAOYSA-N	208.283	-0.596	50	10	BBGE	
CN(C)NC(=O)N(C)[C@@]1(C(=O)O)CCOC1	380677799	FBQPQRGWUONXLF-VIFPVBQESA-N	231.252	-0.652	50	10	BBGE	
NC(=O)CC1CN(C(=O)NC(=O)CCCl)C1	382069027	BWDSMSBATHILPC-UHFFFAOYSA-N	247.682	-0.341	50	10	BBGE	
COC1(C)CN(Cc2cc(C(=O)NN)no2)C1	382591762	AVRXUTGVCJAMMB-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
CCN(CC(F)F)[C@@H](COC)C(=O)NN	387012902	YFPUPUCMKKRFAK-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@](C)(CN)C1	390223692	AULCOVSPGKKUSK-GXSJLCMTSA-N	228.340	-0.184	50	10	BBGE	
COC(=O)c1ccc2nc(B(O)O)oc2c1	396118425	ZPVGSHLJMZNGNX-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
O=C(O)c1cc(B(O)O)cc2c(O)csc12	396378156	HDYCSANJGDGPSM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
NNC(=O)C(=O)NCCCOC(F)(F)F	398322017	ZOYMMOSQIQSNNY-UHFFFAOYSA-N	229.158	-0.981	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(CCCC(=O)NN)C1	398862225	WLDPAESAXSBXST-NXEZZACHSA-N	229.324	-0.293	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CO[C@H](C)C1	401534719	REMRIFMOBXMGEY-HRDYMLBCSA-N	231.296	-0.900	50	10	BBGE	
C[S@](=O)Nc1ccc(F)c(B(O)O)c1	404831348	UXSBEAGTTUNHFS-AWEZNQCLSA-N	217.030	-0.789	50	10	BBGE	
CN(Cc1cccc(B(O)O)c1)C(=O)C1CC1	404951023	RPSLNBCIWROWJH-UHFFFAOYSA-N	233.076	-0.265	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)NC1CCC1	405131759	GSYGIJJEMIKJMQ-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
C[C@]1(O)C[C@@H](NCc2cccc(B(O)O)c2)C1	585046133	NSYRAJGIUDUHRZ-TXEJJXNPSA-N	235.092	-0.631	50	10	BBGE	
CCOC(=O)[C@@H](CC)[S@@](=O)CC(=O)NN	586366394	FCKLYTIDWAQCFA-BAHMLBHCSA-N	236.293	-0.933	50	10	BBGE	
NS(=O)(=O)N1CCOC[C@@H]1Cl	616641452	JDHFLIHMAWZYEP-SCSAIBSYSA-N	200.647	-0.913	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@H]1C(=O)OC[C@H]1O	675079974	KGDMOYQOMNYRGF-VPENINKCSA-N	207.613	-0.984	50	10	BBGE	
CCS(=O)(=O)CCN1CCC(O)(C#N)CC1	685987634	VVJRXLSFBAPRCB-UHFFFAOYSA-N	246.332	-0.228	50	10	BBGE	
CN(CCNS(C)(=O)=O)C(=O)OCCl	689649363	JLSLIOYLWPGZEO-UHFFFAOYSA-N	244.700	-0.200	50	10	BBGE	
CC1(C)CC[C@@H](CNC(=O)C(=O)NN)O1	691935933	HXVKMENTAPNEQT-LURJTMIESA-N	215.253	-0.950	50	10	BBGE	
CN(C)NC(=O)N(C)C1CC(C(=O)O)C1	693029268	CRJYEVWTTXQTQR-UHFFFAOYSA-N	215.253	-0.032	50	10	BBGE	
Cc1nn(C[C@@H]2CCCCO2)c(C)c1B(O)O	694271109	PATYBEJSSKAQIO-JTQLQIEISA-N	238.096	-0.251	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H]1C1CC1	699058216	AKHZWZJCKMRSJF-ZJUUUORDSA-N	246.075	-0.254	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@H](F)C1	701712480	KAXKZOBHSQATIN-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
NS(=O)(=O)[C@@H]1CCN(C(=O)CCCl)C1	707499984	ZJZZTGONUKRENZ-ZCFIWIBFSA-N	240.712	-0.495	50	10	BBGE	
C[C@@H](CN1CCN(C)C[C@@H](C)C1)C(=O)NN	708291317	QNXOOVXRQMVCRW-ZJUUUORDSA-N	228.340	-0.504	50	10	BBGE	
CN([C@H]1COC[C@@H]1O)S(=O)(=O)CCl	709314907	CUUQOJHTRXHFPW-WDSKDSINSA-N	229.685	-0.796	50	10	BBGE	
CCC[C@@]1(O)CCCN([C@H](C)C(=O)NN)C1	710196602	PNFQWIRFPPJZGT-MWLCHTKSSA-N	229.324	-0.008	50	10	BBGE	
CC[C@@H]1C[C@H](N(C)CCC(=O)NN)CO1	711147065	NXQNXCLXARUCIH-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2	716091499	FKFCMDGXLVXHMG-IEESLHIDSA-N	243.332	-0.233	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1	718257742	CNZBQWNKTYOOPB-ZYUZMQFOSA-N	225.292	-0.524	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H](O)[C@H]1C	718892990	MDKBYTAFZLUOMI-HRDYMLBCSA-N	215.297	-0.400	50	10	BBGE	
Cc1cn(C)nc1CN(C)C[C@@H](C)C(=O)NN	723523048	AEGTZDCGHSYSTB-SECBINFHSA-N	239.323	-0.214	50	10	BBGE	
CC(C)(O)CNC1=C(C#N)[C@@H](N)[N]S1	725564760	KSQPRSKAOYPNMA-LURJTMIESA-N	213.286	-0.367	50	10	BBGE	
CC1CC(C#N)(C(=O)NNC(=O)c2cnn[nH]2)C1	758224760	XEPBKTSEDVDHEV-UHFFFAOYSA-N	248.246	-0.494	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)C1CC1	785402884	ACIBNRZTMKQURX-RNFRBKRXSA-N	242.231	-0.824	50	10	BBGE	
COC(C)(C)C(=O)NNC(=O)[C@H]1CCCO1	817214764	JZNSLBJJFHTIIG-SSDOTTSWSA-N	230.264	-0.262	50	10	BBGE	
COC1(C(=O)NNC(=O)[C@]2(C)CCCO2)CC1	843899118	XBFYMLRTYUTHIQ-JTQLQIEISA-N	242.275	-0.118	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)Cc1ccncc1	1137172271	AYIUHMKWTQPUMX-SECBINFHSA-N	235.243	-0.682	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cc(=O)cc[nH]1	1140410880	MFJUKNWXEYMQLM-UHFFFAOYSA-N	225.204	-0.282	50	10	BBGE	
O=C(CBr)N[C@H]1COC(=O)C1	1144198846	JPNGJOOOFCQWPG-SCSAIBSYSA-N	222.038	-0.187	50	10	BBGE	
Cn1cc(C(=O)NNc2cccnn2)n(C)c1=O	1623748281	GPCISOSZDAMHHV-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
Cn1nncc1C(=O)NNc1ncccn1	1624135014	UPYROEVWNJOOMJ-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1Br	1877347653	OPFKTDNGNIOHGV-HSUXUTPPSA-N	237.097	-0.794	50	10	BBGE	
CN(CC(N)=O)C(=O)[C@@H]1C[C@H]1Br	1877413107	AIZLQCGVDSPNGS-RFZPGFLSSA-N	235.081	-0.287	50	10	BBGE	
CNNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C	1880031199	RQMPNLGWKOTKRV-SSDOTTSWSA-N	247.295	-0.487	50	10	BBGE	
CN(C(=O)OC(C)(C)C)C1(C(=O)NN)COC1	1880032923	YTJWWHMQZUTIPC-UHFFFAOYSA-N	245.279	-0.388	50	10	BBGE	
NCCS(=O)(=O)NC[C@H]1C[C@@H]1Cl	1881375090	YTMJSLADALBVPJ-RITPCOANSA-N	212.702	-0.508	50	10	BBGE	
C[C@@H](C(=O)NCC#CCCl)S(C)(=O)=O	1884809786	GQPFPBPGWYLZAW-ZETCQYMHSA-N	237.708	-0.222	50	10	BBGE	
C[C@H](OCC[C@H](C)N(C)C)C(=O)NN	1884886674	HCNDONKMVGQRSU-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@@H]1CCOC1	1886079776	SYRIVRZBDANTAD-XLPZGREQSA-N	200.238	-0.582	50	10	BBGE	
CCOC(=O)[C@@H]1CNCCN1C(=O)F	1887174279	YAIWWMFHFBXGAH-LURJTMIESA-N	204.201	-0.087	50	10	BBGE	
CS(=O)(=O)[C@@H]1CC[C@@H]1NC(=O)CCl	1891676463	JHDGFBYPTSBQAN-NTSWFWBYSA-N	225.697	-0.083	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CO)[C@@H]1C[C@@H]1Cl	1893462522	ZBQAUNLIMWQDHG-FKSUSPILSA-N	219.668	-0.263	50	10	BBGE	
C[C@H](CC(=O)NN)n1cccc(C#N)c1=O	1894126014	QEORZPNDTMRTEJ-SSDOTTSWSA-N	220.232	-0.339	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]2C2CCC2)c1	1897478647	VHAQBVVEFZTWEL-ONGXEEELSA-N	220.081	-0.001	50	10	BBGE	
C[C@H](O)CCCN(C)C(=O)C1(B(O)O)CC1	1899927352	PMXQJSPKKNIFDN-QMMMGPOBSA-N	229.085	-0.387	50	10	BBGE	
CN(NC(=O)C[C@](C)(N)C1CC1)S(C)(=O)=O	1901338981	GIWILJFBAPESJL-VIFPVBQESA-N	249.336	-0.574	50	10	BBGE	
CC(C)[C@H](N)C(=O)NN(C)S(=O)(=O)C1CC1	1901341080	OSPALBFBFIXNJP-QMMMGPOBSA-N	249.336	-0.575	50	10	BBGE	
O=C(NC[C@@H]1CN[C@H]2CCN1C2)[C@@H]1C[C@@H]1Cl	1902634842	YUELFJZEPTZPSB-QEYWKRMJSA-N	243.738	-0.224	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1Nc1cc(B(O)O)c(F)cn1	1903010173	MTAFZGLRIPPXKX-KJXVDCTPSA-N	224.044	-0.033	50	10	BBGE	
CN(C[C@@H]1CCC[C@@H](C(=O)NN)O1)C1COC1	1909808731	PHCKXUSPCLZIGQ-UWVGGRQHSA-N	243.307	-0.755	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1COCC1(F)F	1910176038	DCWLEWWVDPESEE-RNJXMRFFSA-N	249.261	-0.422	50	10	BBGE	
C[C@H](CN1CCC(C)(C)C1=O)C(=O)NN	1912216130	YBGWNXZNOJIRMI-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1[C@H]2CCC[C@H]21	1913677550	UTVOFMMYZFINLG-MBTKJCJQSA-N	246.075	-0.254	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCOC1CC1	1927917423	KQDOUFYMTBGBSA-VXNVDRBHSA-N	214.265	-0.192	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)C[C@H]1F	1928692133	KRWDFEPCZKHMDK-RQJHMYQMSA-N	205.233	-0.965	50	10	BBGE	
COc1cnccc1C(=O)NNCCO	1929836873	QRENWIUZSVDPGQ-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
CN(CC(=O)NN)C1C[C@@H]2CC[C@H](C1)O2	1929914024	ZLWOCAANFZZTBY-CBLAIPOGSA-N	213.281	-0.382	50	10	BBGE	
COCCC1CN(C[C@H](C)C(=O)NN)C1	1932058084	UBGLXDLYMPXMON-QMMMGPOBSA-N	215.297	-0.419	50	10	BBGE	
C=C(CCl)Cn1c(=O)n(C)c(=O)n1C	1934712884	DJHCIPVGDSMXFN-UHFFFAOYSA-N	217.656	-0.320	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1CC(F)(F)C(=O)NN	1935929902	QTMKWWSWNOFMBJ-RNFRBKRXSA-N	237.250	-0.543	50	10	BBGE	
CC[C@@H]1CN(C[C@H]2C[C@H]2C(=O)NN)CCO1	1936094145	KTUWBGMSHCJLKZ-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@H]1C[C@@H]1C(=O)NN	1936095552	YGVYXNQMBMDJCW-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
CC[C@@]1(C)CC[C@@H](CNC(=O)C(=O)NN)O1	1939085879	SSNJHUOUPJJCDY-XVKPBYJWSA-N	229.280	-0.560	50	10	BBGE	
CCC[C@@H](OC[C@H]1COCCO1)C(=O)NN	1939102553	UPTRCHGZXMCSHS-RKDXNWHRSA-N	232.280	-0.423	50	10	BBGE	
COCCN1C[C@@H](c2nnnn2C)[C@@H](Cl)C1	1939853449	IJGYHHDWIUIKCU-SFYZADRCSA-N	245.714	-0.137	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](CO)C2(CC2)C1	1940641960	AAVWBKUTHLNWNG-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN(C)[C@@H]1CCCN(CCOCC(=O)NN)C1	1941784341	NNTBDKZGBRRMME-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@H]1C(=O)NC	1942614077	UTYBAVOXWHBLBX-IWSPIJDZSA-N	242.323	-0.789	50	10	BBGE	
O=C(NNCCO)[C@H]1CCc2ccccc2O1	1944211026	GDWABQFPMVWFRX-LLVKDONJSA-N	236.271	-0.007	50	10	BBGE	
NNC(=O)COCCN1CCOC2(CCC2)C1	1946411912	WWNQCHXJJSFHJY-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
CC(C)(CCOC[C@@H]1COCCO1)C(=O)NN	1948419837	FNUUTKWHPIRWRY-SECBINFHSA-N	246.307	-0.175	50	10	BBGE	
COCCN1CCN([C@H](C)CC(=O)NN)CC1	1949126816	HCHLDDZJMSVMHI-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](N(C)C)CC12CCC2	1949696782	HVJUQIBFFRUSPO-NXEZZACHSA-N	240.351	-0.077	50	10	BBGE	
CN(C(=O)CCl)[C@H]1CC(=O)NC1=O	1954037298	SRKSXLOCAHYFDR-BYPYZUCNSA-N	204.613	-0.901	50	10	BBGE	
O=C(CCCl)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281391	QVARAACZFFZUGS-UQWHLADISA-N	237.708	-0.226	50	10	BBGE	
CO[C@]1(CN(C)C(=O)NN)CCCOC1	1957520044	XLYBEXMFCNDYKF-VIFPVBQESA-N	217.269	-0.303	50	10	BBGE	
CCN(C(=O)[C@@H](C)Cl)[C@H]1CC(=O)NC1=O	1961459595	DEHQOJAFCHDVDY-RITPCOANSA-N	232.667	-0.123	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)C12CC(CO1)C2	1967589671	ZKTFOIQAMVWJDJ-ZCUBBSJVSA-N	225.053	-0.759	50	10	BBGE	
C[C@H](COCC(C)(C)C(=O)NN)N(C)C	1974648503	RSAMAOICBPYNOM-MRVPVSSYSA-N	217.313	-0.031	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=O)nc(C)n1	1974810931	GHXFTZMPAZLDQO-UHFFFAOYSA-N	209.209	-0.593	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1cnc(C(=O)NN)s1	1975983802	YCPJYYFQYNWYFO-YFKPBYRVSA-N	240.288	-0.133	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1	1976104753	VMYRISMBEINIKO-DSYKOEDSSA-N	244.678	-0.265	50	10	BBGE	
CC(C)N1CC[C@H](N(C)[C@@H](C)C(=O)NN)C1	1976575913	LDMYWKRYDXMVCX-UWVGGRQHSA-N	228.340	-0.221	50	10	BBGE	
COC1(COc2cncc(B(O)O)c2)CC1	1979948507	WGNCKQANSXNPAX-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
CN(C)NC(=O)NC1C[C@H]2C(C(=O)O)[C@@H]2C1	1980538560	VIMIHXCIZWRTHL-MIDKJMSJSA-N	227.264	-0.129	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3OCC[C@@H]3C2)CC1	1981242373	LYJCGUJOQUUXSK-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
CCn1ncc(CN(C)[C@H](C)C(=O)NN)n1	1981349517	VPFZPUBTSWOKRM-SSDOTTSWSA-N	226.284	-0.892	50	10	BBGE	
CN(CCC(F)F)c1ncc(B(O)O)cn1	1981416020	KYDCOOWVWZKPBT-UHFFFAOYSA-N	231.011	-0.752	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)CCS1	1981424236	QITVFYMRQSVGNM-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H](F)C2)c(F)c1	1981472831	UBGADMMXOBQAKL-ZETCQYMHSA-N	228.007	-0.551	50	10	BBGE	
O=C(NCc1cc(B(O)O)cs1)[C@H]1C[C@H]1F	1982809877	WPIMLJJIXMXGQX-JGVFFNPUSA-N	243.068	-0.598	50	10	BBGE	
CC1(Cn2cccc(B(O)O)c2=O)CCC1	1984108264	ZCVYXTVMFZAHLN-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
C[C@@H](N(C)CCOCC(=O)NN)C(C)(F)F	1984265225	PVEWCXJDOCCRRT-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
Cc1cc(O[C@H]2CC2(F)F)ncc1B(O)O	1985885235	VTTFLZOVDZDWTE-ZETCQYMHSA-N	228.991	-0.144	50	10	BBGE	
C[C@@H](CN(C)[C@@H]1COC2CC1C2)C(=O)NN	1986053037	ITBGLQWFXJDHQO-AUXWQGHOSA-N	227.308	-0.278	50	10	BBGE	
CN1CC[C@@H]2[C@@H]1CCCN2CCC(=O)NN	1986246865	FMNSBCPUZCEUSM-VHSXEESVSA-N	226.324	-0.465	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]1C(F)(F)F	1992124261	BGMJHQYOEUYZQT-NTSWFWBYSA-N	234.970	-0.684	50	10	BBGE	
O=C(NCC#CB(O)O)[C@]12CCCC[C@H]1C2	1992152403	DXKDCXZKLGDVSK-ONGXEEELSA-N	221.065	-0.302	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1[C@@H]2CO	1994019642	ICPYPYDGQXFPMK-CHHOWFRJSA-N	227.308	-0.687	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H]1CCCNC1=O	2004246844	IRBUPQVOZJNECJ-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cnccc1N1CC(CC2CC2)C1	2004931052	YTHFSDBWHQRJET-UHFFFAOYSA-N	232.092	-0.002	50	10	BBGE	
COC[C@H](OCCN1CCCCC1)C(=O)NN	2007042342	CTJQYOPHSFTFRG-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1[C@H]2CCC[C@H]21	2008844376	MUPDCRXYSUBQLK-URLYPYJESA-N	233.076	-0.426	50	10	BBGE	
CCN(CCF)Cc1c(C(=O)NN)cnn1C	2012677432	FLZTWEPINNKKPR-UHFFFAOYSA-N	243.286	-0.185	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC1)CC(O)C2	2013328944	MYXCPHSTMGGULL-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC2(CC(CO)C2)C1	2013608037	GWHONWVBPPIKDF-IUCAKERBSA-N	241.335	-0.295	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCOC[C@@H]1F	2013730279	MHCRJTMHLNCBTK-IUCAKERBSA-N	245.298	-0.185	50	10	BBGE	
Cc1nn(C[C@H]2CC(C)(C)O2)c(C)c1B(O)O	2015574109	RMUUZIQFFDOUTN-SECBINFHSA-N	238.096	-0.253	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1ncoc1C	2019219199	KHYJMMANHLVSOF-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ncccc1B(O)O	2020032292	IHVNYSDSEJSYGF-QMMMGPOBSA-N	232.048	-0.641	50	10	BBGE	
O=C(CN1CCCC1)N[C@H]1CCC=C1B(O)O	2020055658	DCQDZIMDTLHLLT-JTQLQIEISA-N	238.096	-0.701	50	10	BBGE	
CC[C@H]1CN(CC(C)(C)C(=O)NN)C[C@H]1CO	2025430991	BPZIPLHAVUKCSR-UWVGGRQHSA-N	243.351	-0.047	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)Nc1cccc(B(O)O)n1	2025665188	ZLPZIQYGROCIOE-LDWIPMOCSA-N	238.027	-0.552	50	10	BBGE	
COC[C@]12C[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2052473449	SNOQNVUFNACLEJ-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
COc1c(B(O)O)c(C)nn1CC1CC1	2059980213	AIEDQKTVCKDRJP-UHFFFAOYSA-N	210.042	-0.710	50	10	BBGE	
COc1cc([N+](=O)[O-])cc(B(O)O)c1C=O	2060276649	YMEXPPDYYKFSTP-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CCc1ccnn1Cc1nn(C)cc1C(=O)NN	2063887796	IQIJJOBTKMEFRB-UHFFFAOYSA-N	248.290	-0.169	50	10	BBGE	
COCCOCc1ccc(B(O)O)s1	2209685903	JKBCJZWPOISWFY-UHFFFAOYSA-N	216.067	-0.409	50	10	BBGE	
C[C@H]1C[C@@]1(F)COc1ncc(B(O)O)cn1	2211060591	WYYBASFJZHTWGQ-IMTBSYHQSA-N	226.016	-0.717	50	10	BBGE	
CC[C@@H](CN)Oc1cc(B(O)O)c(C)cn1	2212599343	HMEYDLNBKDBZQT-QMMMGPOBSA-N	224.069	-0.814	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1ncccc1B(O)O	2212601035	HRSWMDKXOHWTPO-CBAPKCEASA-N	224.069	-0.734	50	10	BBGE	
C#C[C@H](C)N(C)c1cc(B(O)O)c(C)cn1	2212605374	CMNAASIUYFSRLK-VIFPVBQESA-N	218.065	-0.472	50	10	BBGE	
CC1=C[C@H](Nc2ncc(B(O)O)cn2)CC1	2212610727	NYQPFVNZZSLOKV-SECBINFHSA-N	219.053	-0.323	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@@H]1CCC[C@@H]1O	2216490394	DCPPICQVVDSEJA-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@H](O)C[C@H]32)CCC1	2216535264	YIPSLGDRDXHVGP-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]2C2CC2)nc1	2217201717	ZOLKEUMIVINSNH-VHSXEESVSA-N	233.080	-0.243	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1CN=c1ncc(B(O)O)c[nH]1	2217203611	XYWQMKGWNOEENV-WPRPVWTQSA-N	235.096	-0.718	50	10	BBGE	
CN1C[C@H](Nc2cc(B(O)O)ccn2)CC1(C)C	2223628630	RMNPBICHXKUICP-SNVBAGLBSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2223632670	MVLSOZQYPRQYBE-CYOKLVMASA-N	245.091	-0.530	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3CNC[C@H]32)nc1	2223636999	CCQJDIAEVADOOF-JMJZKYOTSA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1ccnc(N2CCC[C@H]3NCC[C@@H]32)c1	2223642049	YHIOVXBTGOCUKJ-MNOVXSKESA-N	247.107	-0.908	50	10	BBGE	
OB(O)c1ccc(N2CCNCCC23CC3)nc1	2223650373	LRYYBQDSIRGPIC-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
C[C@@H]1CC[C@H](CNc2ncccc2B(O)O)N1C	2223675095	PJZBJICSPPCMLE-NXEZZACHSA-N	249.123	-0.344	50	10	BBGE	
CSC1CC(C(=O)NNCCO)C1	2241574514	YKAXYIROEGNSRL-UHFFFAOYSA-N	204.295	-0.259	50	10	BBGE	
NNc1ncnc(=N[C@H]2C[C@H](Cl)C2)[nH]1	2241655219	JSNUVYSSYKOPLM-URHBZAFASA-N	214.660	-0.239	50	10	BBGE	
NNC(=O)COC1(C2CCC2)COC1	2242111696	CNJGPPVLLWBKTC-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
O=C(Nc1ccnnc1)[C@H]1C[C@@H](B(O)O)C1	2243381102	CDOGUVLQUCCLDJ-KNVOCYPGSA-N	221.025	-0.332	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243382703	QRIOZLKDGQCCNZ-RYPBNFRJSA-N	227.069	-0.610	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1C[C@@H]1B(O)O	2243396711	PTGXJEFGMONVEP-XAVMHZPKSA-N	227.069	-0.731	50	10	BBGE	
CON(C(=O)c1cc(B(O)O)c[nH]1)C(C)C	2243401300	OZRFNBCITRMEBP-UHFFFAOYSA-N	226.041	-0.894	50	10	BBGE	
CCN(OC)C(=O)c1sc(C)cc1B(O)O	2243413508	HVTBXBZQGOQUKT-UHFFFAOYSA-N	243.093	-0.240	50	10	BBGE	
C=C1CC(N(C)S(=O)(=O)CC(=C)B(O)O)C1	2243415486	VZCLCGZKTGWNKK-UHFFFAOYSA-N	245.109	-0.465	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)[C@H](C)CC)B(O)O	2243433378	LPBKDDZAJSAMBF-APPZFPTMSA-N	249.141	-0.091	50	10	BBGE	
C#CCC(=O)N(C)Cc1sccc1B(O)O	2243668396	OIOXULSDDAMIGO-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
C[C@H](CN1CC(c2nncs2)C1)C(=O)NN	2244050756	ABOFUDHCTBENIK-ZCFIWIBFSA-N	241.320	-0.437	50	10	BBGE	
C=C[C@@H](C)CNC(=O)c1cc(B(O)O)co1	2244205042	DVWZYNNCPIQVTE-SSDOTTSWSA-N	223.037	-0.489	50	10	BBGE	
COCC1(C(=O)NNC(N)=O)CC(F)(F)C1	2246056746	YDFBGUAWCSRTAG-UHFFFAOYSA-N	237.206	-0.252	50	10	BBGE	
C=C1CC(N)(COc2ncccc2B(O)O)C1	2246891894	HBYYQCMACJHPQS-UHFFFAOYSA-N	234.064	-0.812	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CCC[C@@H]21	2247741593	BWLYILWHXZTPEK-XVKPBYJWSA-N	234.064	-0.681	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)o1	2247746789	DNCAUEPOVNXTOH-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1cc(B(O)O)c[nH]1	2247748171	ZBZQZLRGIWISDU-LLVKDONJSA-N	236.080	-0.291	50	10	BBGE	
O=C(N[C@@H](CO)C1CCCC1)C1(B(O)O)CC1	2247750967	QQHXHOLIXJKCOC-VIFPVBQESA-N	241.096	-0.339	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1occc1B(O)O	2247751272	VRWLAAPSIQVRMK-RDDDGLTNSA-N	237.064	-0.265	50	10	BBGE	
NC1(CCNC(=O)C2(B(O)O)CCC2)CCC1	2247754310	MHNCVBOARZAHIA-UHFFFAOYSA-N	240.112	-0.229	50	10	BBGE	
Cc1n[nH]c(C)c1CNC(=O)C1(B(O)O)CC1	2247754408	CXVZFBXSOYYQOJ-UHFFFAOYSA-N	237.068	-0.350	50	10	BBGE	
C#CCN(CC=C)C(=O)c1occc1B(O)O	2247754628	GUWADICUCVJPJA-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)c1occc1B(O)O	2247757941	YLQCGTLBLFSJDF-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
C=CCN(C)C(=O)c1c(C)cccc1B(O)O	2247760080	BHSKDVOQNSQAQD-UHFFFAOYSA-N	233.076	-0.067	50	10	BBGE	
C=C(C)CNC(=O)c1cc(B(O)O)ccc1C	2247760671	LQHVEMHWMZEILX-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
CC12CC(CNC(=O)[C@H]3C[C@@H]3B(O)O)(CO1)C2	2247799018	ZDKZANCYYFTVQG-GHQHZXSUSA-N	239.080	-0.465	50	10	BBGE	
CO[C@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247808220	TZXFTOMJHPUVJM-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
CN(CC1CC1)C(=O)c1cc(B(O)O)cn1C	2247868212	DUISAZHWHIKDAO-UHFFFAOYSA-N	236.080	-0.813	50	10	BBGE	
C[C@]12CCC[C@@H]1C(=O)N2C(=O)C1(B(O)O)CC1	2247874108	JBUIPHVXTBHMIS-XCBNKYQSSA-N	237.064	-0.079	50	10	BBGE	
C#CCCNC(=O)c1ccc(C)cc1B(O)O	2247874181	KBEVXWQURAQSGJ-UHFFFAOYSA-N	231.060	-0.572	50	10	BBGE	
COC(=O)C[C@H](C)NC(=O)C1(B(O)O)CCC1	2247877234	DRJBOHXCIBQPNP-ZETCQYMHSA-N	243.068	-0.549	50	10	BBGE	
COCCN(CCC#N)C(=O)C1(B(O)O)CC1	2247879357	TWFNMZFKIYQJJP-UHFFFAOYSA-N	240.068	-0.618	50	10	BBGE	
O=C(NC1CC([C@H](F)CO)C1)[C@@H]1C[C@@H]1B(O)O	2247887464	OLCVNHJFHYWBJQ-LLGBLBKNSA-N	245.059	-0.926	50	10	BBGE	
O=C(NCCn1cccn1)C1CC(B(O)O)C1	2247892302	XVCDKZZEXDVGIZ-UHFFFAOYSA-N	237.068	-0.748	50	10	BBGE	
C[C@H]1CO[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247894941	MJKDLIUBKIYOKU-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC1C[C@@H]2CC[C@H](C1)O2)[C@H]1C[C@H]1B(O)O	2247898275	BWFPEKAENOSSKN-QCHRWEISSA-N	239.080	-0.325	50	10	BBGE	
CC1(C)OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247899268	LYLLQIXGJOWSBH-IWSPIJDZSA-N	241.096	-0.219	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)[C@H]2CC[C@H]2C1=O	2248081601	SSJFJWHLHRNMIF-NGJRWZKOSA-N	237.259	-0.993	50	10	BBGE	
Cc1cc(NC(=O)[C@@H](C)CO)ccc1B(O)O	2248440318	GNOIBNRFIMJXCO-QMMMGPOBSA-N	237.064	-0.758	50	10	BBGE	
CC[C@](C)(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248577927	QBZQNGPALSKLDY-MATHAZKKSA-N	243.068	-0.534	50	10	BBGE	
CC(C)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1B(O)O	2248578421	SYUWLHMFJDBHOS-RNJXMRFFSA-N	243.068	-0.535	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ccc(B(O)O)cc1	2249306925	DGDJRCCLOWNWBR-MRVPVSSYSA-N	239.055	-0.204	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2cocc2B(O)O)C1	2249423488	JXFQXQQYORSPCH-MRVPVSSYSA-N	237.064	-0.169	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1cocc1B(O)O	2249423584	KJMWSOCNEJBUDN-XVKPBYJWSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1cocc1B(O)O	2249426276	QIFXDIMGJKBBIH-SSDOTTSWSA-N	235.048	-0.511	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@H]2CC[C@H]1C2	2250000113	DWQKVHJBZUUVAB-DCAQKATOSA-N	235.092	-0.056	50	10	BBGE	
C#CC12CC(CCN1C(=O)[C@H]1C[C@@H]1B(O)O)C2	2250893212	YWGKKEPRKAUISD-QLWZBITOSA-N	233.076	-0.136	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2250978875	YEWUXASDFURURV-LNFKQOIKSA-N	241.335	-0.152	50	10	BBGE	
O=C(Nc1ccc(O)cc1)c1coc(B(O)O)c1	2255456173	KQZGMUBDQWRXJZ-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
O=C(N[C@@]12CCCC[C@H]1C2)c1c[nH]nc1B(O)O	2255549165	FXXDIWUAQBALRE-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
Cc1ccnc(C(=O)N(C)CC2CC2)c1B(O)O	2255580735	HCSBZQGXTJWVJU-UHFFFAOYSA-N	248.091	-0.448	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(B(O)O)o1	2255668929	GYUGHAKIGVGTOW-CIUDSAMLSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@H]32)cc1B(O)O	2255731094	ZZHHRGZBXFGMEZ-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
Cc1cnn(C2CN(C(=O)[C@@H]3C[C@H]3B(O)O)C2)c1	2255764880	IUNKBZYRRNDDFI-NXEZZACHSA-N	249.079	-0.562	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2nccnc2B(O)O)C1	2256046380	PJKDSHGHPQSEER-QMMMGPOBSA-N	249.079	-0.972	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@@H]1CC[C@H]2C[C@H]21	2258130121	BOOXCBAMVTZSRX-FXBDTBDDSA-N	249.075	-0.170	50	10	BBGE	
C#CC[C@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2258942118	PAIKJACMCYWDGP-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
CC1(C)[C@@H](O)[C@@H](O)CN1C[C@@H](Cl)C#N	2297113200	KEZWONZHHHHBRG-FXQIFTODSA-N	218.684	-0.067	50	10	BBGE	
CC(NN1CCOCC1)=C(C#N)C(N)=O	2297451288	KYMGBOBNEGJTCR-UHFFFAOYSA-N	210.237	-0.894	50	10	BBGE	
C[C@H]1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C[C@H]1O	2298165748	UUYDZHIXMOIPBG-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H](O)[C@H]2C3)CCC1	2298188497	WPOYWWXXZIURLO-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@H]1B(O)O	2298369913	IQPZZXRFDYHZON-VVULQXIFSA-N	238.096	-0.813	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCO[C@@H]2CCC[C@@H]21	2298377449	RRCHJUOGMBCPTE-DOLQZWNJSA-N	239.080	-0.371	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CC2(COC2)C1	2300391626	WWKOLCLQJBEGQT-VHSXEESVSA-N	239.319	-0.275	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	2302049818	KVVSRGFXOLOHQD-HPHBORHKSA-N	241.335	-0.152	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCCOC2)ncc1F	2303834674	JXVHSZJNJQAOJD-SSDOTTSWSA-N	240.043	-0.509	50	10	BBGE	
CCc1cnn(CCn2ccc(B(O)O)n2)c1	2305011248	VGYMLTBRSUNOBQ-UHFFFAOYSA-N	234.068	-0.978	50	10	BBGE	
OB(O)c1ccnc(OC[C@@]23CC[C@@H](C2)NC3)c1	2315134627	JCJGXRXBHDFGQL-JQWIXIFHSA-N	248.091	-0.718	50	10	BBGE	
C[C@@H](CCCN)Oc1ccc(B(O)O)cc1C#N	2317206462	OFLCLEHIXAWEIA-VIFPVBQESA-N	248.091	-0.256	50	10	BBGE	
C[C@H]1CN([C@@H](C)CC(=O)NN)C[C@H](C)O1	58851636	OTKFOSVHNAHDRJ-CIUDSAMLSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](CSc1nnc(N)s1)C(=O)NN	82472899	LGGMGXKRRHZTET-VKHMYHEASA-N	233.322	-0.162	50	10	BBGE	
O=C(CCl)NC(=O)NCCC(=O)NC1CC1	86276227	FDYRZYVOXYOLAR-UHFFFAOYSA-N	247.682	-0.280	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1	125795059	CQZHPCBHGLEGFP-HWUMTFDVSA-N	241.335	-0.296	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@H]1C(N)=O	132562871	NBNWMBDGIDNYKV-RNFRBKRXSA-N	217.656	-0.697	50	10	BBGE	
CC(=O)Nc1cc(NC(C)=O)cc(B(O)O)c1	204755878	DMJQBZZJQGLDHJ-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
CN1C(=O)Cc2cc([C@H](N)CC(=O)NN)ccc21	259027242	QUUMVMKASLXQRN-SECBINFHSA-N	248.286	-0.415	50	10	BBGE	
CC1(O)CN(C[C@H](O)CBr)C1	306682576	RSKUQWYGNIVBAE-ZCFIWIBFSA-N	224.098	-0.191	50	10	BBGE	
CCCOc1cc(B(O)O)ccc1C(=O)OC	310305596	OVFIYDUPXZYYKD-UHFFFAOYSA-N	238.048	-0.058	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1Cc1nc(C(=O)NN)co1	384777123	HHORNXXWNQLFER-NKWVEPMBSA-N	240.263	-0.767	50	10	BBGE	
O=C(Cn1cnnc1CCl)N1CCOCC1	389966412	VRWWOEHOVLGHHP-UHFFFAOYSA-N	244.682	-0.124	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)S(=O)(=O)C1	393566343	KLGYLDNHZGGXOQ-ZETCQYMHSA-N	235.309	-0.962	50	10	BBGE	
C=CCNC(=O)CNS(=O)(=O)CCCl	393816075	HLLXWYOKGVLPER-UHFFFAOYSA-N	240.712	-0.553	50	10	BBGE	
O=C(O)c1c(O)sc2ccc(B(O)O)cc12	396390011	WWXDMKGQFVRAKV-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C#CCNC(=O)NNC(=O)[C@@H]1CCCS1	491672530	HINOMTAAZIYLMO-ZETCQYMHSA-N	227.289	-0.154	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1CCOC[C@@H]1O	575562702	BEYCIJVBQDKQGB-XVMARJQXSA-N	207.657	-0.120	50	10	BBGE	
C[C@@H]1C[C@@]1(C)C(=O)Nc1ncc(B(O)O)s1	575597593	ICNGZVBYVLHGMP-MLUIRONXSA-N	240.093	-0.193	50	10	BBGE	
O=S(=O)(CCl)N1CCS[C@@H](CO)C1	642872965	YDPATYDYVQECNC-ZCFIWIBFSA-N	245.753	-0.078	50	10	BBGE	
O=C(CCl)NC[C@@H]1CNC[C@@H](O)C1	642885780	UQPRRAYHDZCDFD-BQBZGAKWSA-N	206.673	-0.688	50	10	BBGE	
OC[C@@H]1O[C@H](Br)[C@H](F)[C@@H]1O	690705423	RTWYWCZOGUBRHY-RSJOWCBRSA-N	215.018	-0.203	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	691453080	JAFFAUDTUMHYBM-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(O)C1	695082525	SBNRRGAHJBVKEO-MRVPVSSYSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@]1(C(=O)NN(C)C)CCCNC1	697281000	DHDNVIRWTGKHDG-VIFPVBQESA-N	201.270	-0.652	50	10	BBGE	
Cc1cccc2nc(C(=O)NNC(N)=O)cn12	700845963	YHLLKQZIXHXEBY-UHFFFAOYSA-N	233.231	-0.044	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCC[C@@H]1O)C(=O)NN	708052188	VMGDSBQUZNWQNT-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CN(CCC(C)(C)C(=O)NN)[C@@H]1COC[C@@H]1O	708125129	UCBFCUDCNIQVQX-BDAKNGLRSA-N	245.323	-0.916	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1[C@@H](C(=O)O)C1(F)F	715372460	BFFRXRCAJKDYGM-UHNVWZDZSA-N	237.206	-0.272	50	10	BBGE	
O=C(Cn1ccnc1)NNC(=O)c1ccc[nH]1	746103678	SCHBQTPKBIXCHF-UHFFFAOYSA-N	233.231	-0.328	50	10	BBGE	
O=C(NNC(=O)[C@H]1CC12CCC2)c1cnn[nH]1	759787707	VGNSLLHSVKLCKG-ZCFIWIBFSA-N	235.247	-0.244	50	10	BBGE	
CN(C)CC(=O)NN=C1CCC(=O)NC1(C)C	793004101	HHEIBYWOAXKRGM-UHFFFAOYSA-N	240.307	-0.291	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC	795528365	VKWOWDHEYTZZOG-RQJHMYQMSA-N	215.253	-0.238	50	10	BBGE	
CC(C)(C=NNC(N)=O)N1CCOCC1	841604874	SHCNYXGGSPHNBA-UHFFFAOYSA-N	214.269	-0.249	50	10	BBGE	
CCCNC(=O)NN=Cc1cnc(N)nc1N	842525310	PLEZUBQDCXSJML-UHFFFAOYSA-N	237.267	-0.316	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1cccnc1	854146269	IFGBYVFWNZAYPB-MYJAWHEDSA-N	247.254	-0.265	50	10	BBGE	
CC(C)CC(=O)NNC(=O)CSCC(N)=O	915261729	HSIDHNZJRWAUPE-UHFFFAOYSA-N	247.320	-0.602	50	10	BBGE	
CN(NC(=O)c1ccn2nccc2n1)C(N)=O	1295199868	AISNTWMIBORCBZ-UHFFFAOYSA-N	234.219	-0.615	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)CCn1cnnn1	1543021579	ZHUUFJOXTWTNQF-UHFFFAOYSA-N	240.267	-0.743	50	10	BBGE	
CC[C@@H](C)OCC(=O)NNC(=O)c1ncon1	1585613502	GBEPOTYDSMWXIH-ZCFIWIBFSA-N	242.235	-0.354	50	10	BBGE	
Nc1ccnn1CC(=O)NNC(=O)CC1CC1	1637659188	SPVCIFRIZHLXKU-UHFFFAOYSA-N	237.263	-0.587	50	10	BBGE	
O=[N+]([O-])C1CN(S(=O)(=O)CCCCl)C1	1875790743	OMDOWTPFTUVJGE-UHFFFAOYSA-N	242.684	-0.094	50	10	BBGE	
N[C@H](CO)C(=O)NC1CC(Br)C1	1880964777	OCMJFHXPFIAGSI-JMMWHDCWSA-N	237.097	-0.652	50	10	BBGE	
C[C@@H](CCCl)C(=O)NOCC(N)=O	1882474586	HCFPHUYXPPOMAU-YFKPBYRVSA-N	208.645	-0.216	50	10	BBGE	
CCS(=O)(=O)CC(=O)NOCCCl	1883010989	XCGXIMHTCUZRLW-UHFFFAOYSA-N	229.685	-0.292	50	10	BBGE	
NC[C@H](CO)C(=O)NC[C@@H]1C[C@@H]1Cl	1883552543	NFQVLRZTOYQNMF-XVMARJQXSA-N	206.673	-0.703	50	10	BBGE	
CO[C@@H](C)COC[C@H]1C[C@H]1C(=O)NN	1886080195	YBDCGXONIWCWDG-XLPZGREQSA-N	202.254	-0.336	50	10	BBGE	
C[C@H](O[C@H]1CCOC[C@H]1F)C(=O)NN	1893527534	HZVWLDBQVVQJOC-XVMARJQXSA-N	206.217	-0.492	50	10	BBGE	
C#CCN1CCN([C@@H](C)CC(=O)NN)C1=O	1895047263	FZKRRVCBRJOXGI-QMMMGPOBSA-N	224.264	-0.874	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H]2CO)C(=O)NN	1895228968	IXILWBJLUUIPFQ-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1C[C@H](O)CCO1	1897226834	LQZBLHCUVBYBNX-FLPBZWPXSA-N	247.678	-0.036	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	1901323862	ONFITUXSWCNNID-HJGDQZAQSA-N	227.308	-0.400	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@]12C[C@@H]1[C@H](N)C2	1901340663	IHSBAWRCXYBCBK-ZXFLCMHBSA-N	247.320	-0.964	50	10	BBGE	
C[C@H]1CC[C@](N)(C(=O)NN(C)S(C)(=O)=O)C1	1901377938	UYJRFBITPLCPBN-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
Cc1scc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	1902864148	VOMGNGNMFLHMEX-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@]1(CO)CCNC1	1909295371	HLYNDQYJMSUPFJ-SFVIPPHHSA-N	232.711	-0.156	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1ccncc1B(O)O	1909554746	INXFUNRGYIJAHF-IUCAKERBSA-N	238.071	-0.197	50	10	BBGE	
CCCN(C[C@H]1C[C@H]1C(=O)NN)C1COC1	1915664802	QZVBWXYPSODXNS-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](CC(F)F)C1	1916672458	NOELGIJMVDPENZ-YFKPBYRVSA-N	221.207	-0.520	50	10	BBGE	
N#CC1=CCN(c2ncnc(=N)[nH]2)CC1	1917099208	ZFGSSLYBYHZYBV-UHFFFAOYSA-N	202.221	-0.056	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H](F)C1)C(=O)NN	1927865642	AILGJEIAIIIYII-PRJMDXOYSA-N	219.260	-0.983	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@@H](F)C1	1927867628	WJARTPOMASFACC-YUMQZZPRSA-N	219.260	-0.839	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1927917682	XRIPYZGVYJFZPM-RBXMUDONSA-N	213.281	-0.933	50	10	BBGE	
O[C@@H](CCl)CN1C[C@@H]2OCCO[C@@H]2C1	1930246968	KCZXKPQJZTYTSD-XHNCKOQMSA-N	221.684	-0.314	50	10	BBGE	
CN(C)NC(=O)NOCCCC(=O)O	1935247886	XABLEZRNSAEGCK-UHFFFAOYSA-N	205.214	-0.441	50	10	BBGE	
C[C@@H](CN1C[C@H](CO)C2(CC2)C1)C(=O)NN	1935770427	GKXMNDIHPOYJQA-DTWKUNHWSA-N	227.308	-0.683	50	10	BBGE	
CCN(C[C@@H]1C[C@H]1C(=O)NN)[C@@H]1CCOC1	1936090012	XWBQQSJQNFTKGF-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)COCCN1C(=O)[C@@H]2CCC[C@H]21	1937415310	LNGPIHDFTVNXKX-HTQZYQBOSA-N	227.264	-0.996	50	10	BBGE	
CC[C@]1(O)CCN([C@H](C)[C@@H](C)C(=O)NN)C1	1937985635	UFSQOJVCCUVUPC-KKZNHRDASA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](CO)C2(CC2)C1	1940643731	KZXKDFIXQAAXAL-UWVGGRQHSA-N	241.335	-0.295	50	10	BBGE	
C[C@]1(O)CCCN(CCOCC(=O)NN)CC1	1941785075	YXPHBOCVQWLOHM-NSHDSACASA-N	245.323	-0.770	50	10	BBGE	
CN(C)NC(=O)NC(=O)CC1(CC(=O)O)CC1	1947677907	FCHKCTGZPIIHJO-UHFFFAOYSA-N	243.263	-0.066	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](N)CC1(C)C	1949385604	JSVPASKTLCPWKI-VIFPVBQESA-N	242.323	-0.645	50	10	BBGE	
C[C@H](Cl)C(=O)Cn1cc(CN)nn1	1954341607	PZSFQRFYXSPEQO-YFKPBYRVSA-N	202.645	-0.067	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(F)F	1954450577	HIPJVDBVVBFRGO-STHAYSLISA-N	209.221	-0.248	50	10	BBGE	
CN(C)[S@](C)(=O)=NCCCC(=O)NN	1956459497	UPMDWSOQEJMXBA-CQSZACIVSA-N	222.314	-0.669	50	10	BBGE	
O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC(B(O)O)CC1	1971373190	SNJAYLBWPCCNRD-MYJAWHEDSA-N	239.080	-0.656	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCc1nnnn1C	1974680764	DLLHNSIAZPAKHR-LURJTMIESA-N	231.687	-0.114	50	10	BBGE	
Cc1nccn1CCN(C)CCC(=O)NN	1976567402	KSSVKJPQDPRFSB-UHFFFAOYSA-N	225.296	-0.497	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1976642678	XCMQROFBTRVQFO-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CC(C)COC(=O)N[C@@H](CB(O)O)C(=O)O	1976987330	DTAFSZZSUHHFIM-LURJTMIESA-N	233.029	-0.705	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H](C[C@H]2O)C1	1978185822	YCFDDXGQZHNSMT-KXUCPTDWSA-N	227.308	-0.541	50	10	BBGE	
C[C@@H]1CO[C@@H](CN(C)C[C@H](C)C(=O)NN)C1	1979300815	WFUUERHFVVZEHG-LPEHRKFASA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CN([C@H](C)CCC(=O)NN)CC[S@@]1=O	1981188703	QXWIAHLKPVHWOR-GLSBUQGYSA-N	247.364	-0.402	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[S@](=O)C[C@H]1C	1981191483	JZDYQIYXTDXJGE-LGXQJMGHSA-N	247.364	-0.546	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](F)[C@@H](F)C2)nc1	1981414583	TZRZJPMJAWYFLJ-YUMQZZPRSA-N	228.007	-0.742	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H](C)C1	1981469391	RQXBTSXMZOKLCE-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
CC1(C)COCCN1c1nc(B(O)O)cs1	1981472596	RRDRDUOBKYFQPS-UHFFFAOYSA-N	242.109	-0.562	50	10	BBGE	
NNC(=O)CCCCN1CCOC[C@@H]1CF	1985769157	HDLCAXATBNGUMJ-VIFPVBQESA-N	233.287	-0.183	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC2(C1)OC[C@@H](O)[C@@H]2O	1986231101	PBULZQNYTMSFHG-PRJMDXOYSA-N	249.694	-0.806	50	10	BBGE	
CC1(C)C[C@@H](C(F)F)CN1C(=O)C(=O)NN	1989963920	IWWCJGVEPJWJAI-RXMQYKEDSA-N	235.234	-0.132	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H]1[C@@H](C)O	1990040619	GQRDQDNKWMRBEL-AXTSPUMRSA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@H]1CF	1990744903	CJVIHHKIZSGAPP-DTWKUNHWSA-N	231.271	-0.309	50	10	BBGE	
CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)C=CC(=O)Cl	1991650554	NTCNJQMNWLQZPK-XSSZXYGBSA-N	246.694	-0.071	50	10	BBGE	
CC#CCC(=O)Nc1ccc(B(O)O)cc1	1995460928	DTHGHMBJYXIRGC-UHFFFAOYSA-N	217.033	-0.282	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC12CC2	1996645952	QHOXIOFMLPUSQT-QMMMGPOBSA-N	232.048	-0.500	50	10	BBGE	
CCC(CC)CC(=O)N[C@H](CB(O)O)C(=O)O	1998126500	TVINUKGZHAVRBC-MRVPVSSYSA-N	245.084	-0.145	50	10	BBGE	
CC[C@@H](O)CN(C)Cc1cc(C(=O)NN)no1	1999420782	JWWYHTWMYDMDRJ-SSDOTTSWSA-N	242.279	-0.519	50	10	BBGE	
Cn1cc(CCN2CCC(O)(C#N)CC2)nn1	2000438143	VXHUPLDHRWQNMQ-UHFFFAOYSA-N	235.291	-0.292	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CCC[C@H](C1)C2O	2002477179	HHEJRNRMPPBCAP-HPHBORHKSA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H](F)[C@H](C)C1	2005018242	QKSBRMVYFGYWMK-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
NNC(=O)CCCCN1[C@H](CO)[C@H]2CC[C@@H]1C2	2008980503	WJKLNIZPQXIEST-HBNTYKKESA-N	241.335	-0.008	50	10	BBGE	
CC(C)[C@H]1CNC(=O)CN1C[C@H](C)C(=O)NN	2010572800	YWDXYNBDEWKSFD-DTWKUNHWSA-N	242.323	-0.931	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CO[C@H]2C[C@@H]1C2	2011813957	XPYTZGJWOIMAJQ-KXUCPTDWSA-N	239.319	-0.134	50	10	BBGE	
CO[C@H](C)COCc1c(C(=O)NN)cnn1C	2011814669	IZGVODHMTDPKNJ-SSDOTTSWSA-N	242.279	-0.425	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2CCO[C@H]2C1	2012776579	WHKUGORQTUEMLP-ZDCRXTMVSA-N	239.319	-0.277	50	10	BBGE	
Cc1cnoc1C(=O)N[C@@H]1CCC=C1B(O)O	2020061770	KRONLJLOVOFCDG-MRVPVSSYSA-N	236.036	-0.186	50	10	BBGE	
COC[C@@H](C)COc1nc(C)ncc1B(O)O	2026075231	UDDJLALXZIQGMK-SSDOTTSWSA-N	240.068	-0.874	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1[C@H]2CC[C@H]1COC2	2052626013	RYYROAKAIVVBLZ-QWRGUYRKSA-N	248.091	-0.563	50	10	BBGE	
COc1cc(OC)c([N+](=O)[O-])c(B(O)O)c1	2060322038	GHIBWDRZQNVSRM-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1CCC2CC1C2	2069295901	PPSCUUCYYUFKJF-AMUVOQDHSA-N	247.107	-0.219	50	10	BBGE	
C[C@@H]1COCCN1CC1(C(=O)NN)CCC1	2212265882	KPHLDKKIOSHOPZ-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COC(C)(C)CNc1ccc(B(O)O)cn1	2212602401	CUBUTIYEVPNPIT-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@]3(CO)C2)CCC1	2216492660	QNYGUQDVISJUIS-JOYOIKCWSA-N	239.319	-0.539	50	10	BBGE	
CC1(C)NCC[C@H]1Oc1ncccc1B(O)O	2217168560	VPHMDZFTKWZQDY-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
CCCC[C@@H](CN)Nc1ncc(B(O)O)cn1	2217172037	GZIGICCFWQMVII-VIFPVBQESA-N	238.100	-0.914	50	10	BBGE	
C#C[C@H]1CCCN(c2ccc(B(O)O)cn2)C1	2217173955	VNZAAOOJBOVAAH-JTQLQIEISA-N	230.076	-0.389	50	10	BBGE	
CC1(C)C[C@H](N)CN1c1cc(B(O)O)ccn1	2217181191	NTDPJJFISKRIKT-VIFPVBQESA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1ccnc(N2CCCCCO2)c1F	2217182546	DZOSFBPBQZVJTR-UHFFFAOYSA-N	240.043	-0.178	50	10	BBGE	
Cc1ocnc1CN(C)c1cc(B(O)O)ccn1	2223634878	PSLRXCUVKCNXKA-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
C[C@H]1CN(c2ncccc2B(O)O)C[C@]1(C)CN	2223638413	KSCFURMTPFZGRR-CABZTGNLSA-N	249.123	-0.818	50	10	BBGE	
COc1ccncc1Nc1ccc(B(O)O)cn1	2223650422	MEVZFLQDUYSVNR-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
C=C[C@@]1(C)COCCN1c1ccc(B(O)O)cn1	2223653081	NWJMTBJEDRZBQS-LBPRGKRZSA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H](O)C2(CC2)C1	2223679669	SJLBRKQRYKAONZ-SNVBAGLBSA-N	248.091	-0.887	50	10	BBGE	
CS(C)(=O)=NC(=O)[C@H]1C[C@@H](B(O)O)C1	2241480648	MSDKACOQVOYIBO-OLQVQODUSA-N	219.071	-0.506	50	10	BBGE	
CP(C)(=O)CNC(=O)[C@H]1C[C@H]1B(O)O	2241494654	AUACJOCXJGWAOP-NTSWFWBYSA-N	218.986	-0.454	50	10	BBGE	
O=C(N(CCO)C1CC1)C1(B(O)O)CCC1	2243348243	VXFAUDJRKZHNSM-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CO[C@H](C)CNC(=O)c1sccc1B(O)O	2243377234	WTUAIZSDLYRHTI-ZCFIWIBFSA-N	243.093	-0.807	50	10	BBGE	
CCc1nnc(NC(=O)[C@H]2C[C@H]2B(O)O)s1	2243395952	FDUNGPOMURRZSB-CRCLSJGQSA-N	241.081	-0.098	50	10	BBGE	
O=C(NC1CCCC1)c1cc(B(O)O)sn1	2243415374	SYONSPHKNVNNAY-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CO[C@H]1C2)C1(B(O)O)CC1	2244356475	DAINXAAMVFJWNF-CSMHCCOUSA-N	225.053	-0.713	50	10	BBGE	
CON(Cc1nscc1B(O)O)CC1CC1	2245120006	AMOSPDAKCVFNPG-UHFFFAOYSA-N	242.109	-0.404	50	10	BBGE	
O=C(N[C@@]12CCC[C@@H]1C2)c1coc(B(O)O)c1	2247732408	FFBBLKSLUCZTHX-LDYMZIIASA-N	235.048	-0.368	50	10	BBGE	
CO[C@@H](C)[C@@H](C)NC(=O)c1coc(B(O)O)c1	2247737191	DNBYNXNTKWOQFI-RQJHMYQMSA-N	241.052	-0.887	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(B(O)O)o1	2247743476	DUXCJRGOWFNGLQ-HTQZYQBOSA-N	237.064	-0.028	50	10	BBGE	
O=C(NC[C@@]12CNC[C@@H]1C2)C1(B(O)O)CCC1	2247750708	NBZTXBXHGVBWFY-WCBMZHEXSA-N	238.096	-0.891	50	10	BBGE	
CN(CC1CCNCC1)C(=O)C1(B(O)O)CC1	2247758691	WBDKDJPDGJDHSS-UHFFFAOYSA-N	240.112	-0.549	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN2C(=O)C1(B(O)O)CCC1	2247758779	XMJBSVKQRNJTAF-DTWKUNHWSA-N	238.096	-0.702	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2247758832	XSPYSOKBCRDSOZ-DTWKUNHWSA-N	241.096	-0.389	50	10	BBGE	
C[C@@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)N1CCC1	2247787694	SKUQCKYSGXEOQK-LPEHRKFASA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247797200	GZWFFGOFOSPZBS-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
Cc1nnc(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)o1	2247799883	JGLVNSYKVKVJRY-BQBZGAKWSA-N	239.040	-0.801	50	10	BBGE	
C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B(O)O	2247800263	NGXUUXWLYBCDAE-HTRCEHHLSA-N	237.068	-0.992	50	10	BBGE	
C[C@@H]1C[C@]1(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247848209	ILJJCIYBABAXHP-RDDDGLTNSA-N	236.080	-0.530	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1c[nH]nc1B(O)O	2247860235	UDJRDULICLJSML-SSDOTTSWSA-N	237.068	-0.896	50	10	BBGE	
Cc1cc(C(=O)NC2CC(F)C2)oc1B(O)O	2247890270	JNMYMSSVHIWTIJ-UHFFFAOYSA-N	241.027	-0.502	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1ccnn1C	2247896196	YAYVCMGMVAUJMW-BWZBUEFSSA-N	237.068	-0.540	50	10	BBGE	
C[C@@H]1CCNC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247901770	AGFLVXZLBVVYSD-DOLQZWNJSA-N	240.112	-0.646	50	10	BBGE	
O=C(Nc1ncccc1O)[C@H]1C[C@@H](B(O)O)C1	2248576186	FHWMCKAUPHQTAO-KNVOCYPGSA-N	236.036	-0.021	50	10	BBGE	
CC(C)(C)OC(=O)CNC(=O)[C@H]1C[C@H]1B(O)O	2248580111	ZJKBULBHMJOWQB-NKWVEPMBSA-N	243.068	-0.693	50	10	BBGE	
C[C@@]1(O)[C@H]2C[C@@H]1CN(CC1(C(=O)NN)CC1)C2	2249573772	AAPYDTAZJNWQNM-JZYVYDRUSA-N	239.319	-0.541	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2CC[C@@H]21	2255454689	XVUQZHRAAGIJMT-SCZZXKLOSA-N	249.075	-0.108	50	10	BBGE	
COc1ccccc1CCNC(=O)C#CB(O)O	2255469922	WHZHLZGZPASYCC-UHFFFAOYSA-N	247.059	-0.631	50	10	BBGE	
CCCC=CCNC(=O)c1ncc(B(O)O)cn1	2255584878	AURSOVXPEWKGEI-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
CC(C)(NC(=O)c1ccc(B(O)O)cn1)C1CC1	2255716862	GPBPGMASOMRGRI-UHFFFAOYSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1CCCC1)c1cc(B(O)O)ccc1O	2256016006	AWKZVSTUXXVVKW-UHFFFAOYSA-N	249.075	-0.256	50	10	BBGE	
CC#CCC(=O)N(C)Cc1ccccc1B(O)O	2256740256	UEJDVKNCFQYSHI-UHFFFAOYSA-N	245.087	-0.262	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)C1C[C@@H]2C[C@H]2C1	2258125060	LMUMAKJTWUWRKH-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1cc(B(O)O)co1	2258137855	BOIQZLWFEKDAGU-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[C@H]1B(O)O	2298369445	UVJYQOAWKJUIKG-UJNFCWOMSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@H](C1)C2(F)F	2298369478	VZEAKQXKILQCFJ-FKSUSPILSA-N	245.034	-0.037	50	10	BBGE	
C[C@@H]1CCO[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371493	MNCYMOBXHPGLTQ-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CN[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2298376656	HMFLZLDDPKXEJZ-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCCO1	2298376857	SWFXSZXCZQHZDM-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2CCCN(C)[C@@H]2C1	2299140239	QNGKWBGLDJJLDH-GMTAPVOTSA-N	240.351	-0.219	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2301420216	BOSBCYGXKYZHSI-WDEREUQCSA-N	235.048	-0.622	50	10	BBGE	
C[C@@]1(O)C[C@H]2C[C@H]1N(CC1(C(=O)NN)CC1)C2	2301493607	YAWVQQLCLJOPFM-FXPVBKGRSA-N	239.319	-0.398	50	10	BBGE	
CC1(C)NC(=O)O[C@@H]1CN1CC[C@@H](B(O)O)C1	2303096072	ATWUMKDEAUZGTC-HTQZYQBOSA-N	242.084	-0.578	50	10	BBGE	
CNCCCN(C)c1ccc(B(O)O)cc1C#N	2317150735	ISHNNVNHONYYMY-UHFFFAOYSA-N	247.107	-0.716	50	10	BBGE	
CCN[C@@H](C)CNc1ccc(B(O)O)cc1C#N	2317164574	AWPXRZCNGUDEIP-VIFPVBQESA-N	247.107	-0.352	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC#CCCO	2317168090	PWPUZGYTFFRTFX-UHFFFAOYSA-N	244.059	-0.964	50	10	BBGE	
CN1CC[C@H](NC(=O)NC(=O)CCl)C1	42549967	XTCGFJQFSNLIDJ-LURJTMIESA-N	219.672	-0.245	50	10	BBGE	
C[C@H](O)CN(C[C@H](C)O)C(=O)CCl	58851548	UAWBQYLCRXYRBT-BQBZGAKWSA-N	209.673	-0.185	50	10	BBGE	
COC[C@@H](C)OC[C@H]1CC[C@H](C(=O)NN)O1	69758194	XTIWTFLPUBBWIZ-IWSPIJDZSA-N	232.280	-0.425	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@H](O)C1	82468714	ZPQMUYLOWHALDU-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)c1coc(CSC[C@@H](O)CO)c1	86661892	XHGLAHGKLMUJRQ-ZETCQYMHSA-N	246.288	-0.531	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC(=O)NC1CC1	93072119	YOIMQTKHUYGQCM-YUMQZZPRSA-N	242.323	-0.789	50	10	BBGE	
CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O	169987530	YLQGXGBOYJWXBT-JGVFFNPUSA-N	228.101	-0.637	50	10	BBGE	
COC(=O)CCC(=O)CNC(=O)NCN=C=O	170294181	ZWAZIKLVZPNGIM-UHFFFAOYSA-N	243.219	-0.899	50	10	BBGE	
CC(=O)Nc1nc2cc(B(O)O)ccc2o1	198048935	QYAWUQFVTZEGHP-UHFFFAOYSA-N	219.993	-0.534	50	10	BBGE	
N[C@@H]1[C@H](Br)C[C@H](C(=O)O)[C@H]1O	199716018	IWDOFPCKEVVRHC-NRXMZTRTSA-N	224.054	-0.457	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCc1ncnn1C	203545873	IBXXFSOGNUPJJI-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](C)[C@@H]1CN	226345663	LTPHVIFUDKXQCN-SCZZXKLOSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCN(C)C(=O)C1	229088302	OCNBKBKVDIOTEP-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
COC[C@H](SC1COC1)C(=O)NN	232421766	NONLEZQSVPTRQO-LURJTMIESA-N	206.267	-0.877	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN2CCCC[C@H]2C1	251583877	NUKRPSBTQZJLMZ-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
O=C1OC(=O)[C@H]2CS(=O)(=O)CC[C@H]12	257899778	VQDUIVPUXLTRAK-WHFBIAKZSA-N	204.203	-0.879	50	10	BBGE	
CNNC(=O)[C@@H](N)Cc1ccccc1F	258946948	ARPHHULWGLKXSL-VIFPVBQESA-N	211.240	-0.054	50	10	BBGE	
NS(=O)(=O)N1CCSSCC1	306460087	HSKVIKYWYQPCBR-UHFFFAOYSA-N	214.337	-0.113	50	10	BBGE	
C[C@@H](Br)C(=O)N1CC(C(N)=O)C1	307033166	RBJDWEDOLYXIOX-SCSAIBSYSA-N	235.081	-0.287	50	10	BBGE	
O=C(NNC(=O)[C@@H]1CSCN1)c1ccco1	309585582	SDLJHFMOWSOQFP-LURJTMIESA-N	241.272	-0.297	50	10	BBGE	
CCOC1CN([C@H](CC)C(=O)NN)C1	383040367	AALTWIDZPFJGGS-MRVPVSSYSA-N	201.270	-0.524	50	10	BBGE	
CC1=C(CC(N)=O)C(=NNC(N)=O)CC1	383961494	GONJGMCKQLFRHF-UHFFFAOYSA-N	210.237	-0.004	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CC(O)C1	384117944	ISQUSJNZMNWLFP-JTQLQIEISA-N	221.260	-0.606	50	10	BBGE	
NNC(=O)c1ccc(CN2CCS2(=O)=O)o1	395553904	BBCGLKATEQIRDR-UHFFFAOYSA-N	245.260	-0.972	50	10	BBGE	
CNC(=O)CS[C@H](C(=O)NN)C(C)(C)C	395616768	QGOSSADAYMBMJD-SSDOTTSWSA-N	233.337	-0.130	50	10	BBGE	
Nc1c(C(=O)O)sc2c(B(O)O)cccc12	396235869	CGSHHVGKMKIDOW-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1cc(C=O)cc2sc(B(O)O)cc12	396257526	PDVLFUTYVPFYAO-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CCCC(=O)NN)CO1	401516935	KYSXZIDHUWYOTR-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](CO)(OC)C1	402627996	XZUQMGQEYZDIKP-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
Cc1c[nH]nc1C(=O)Nc1ccc(B(O)O)cc1	404986191	VNJGRBDRDPVDAZ-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
OCc1c(S)ccc(B(O)O)c1F	575706431	VUNBJQCEJUDXPH-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
Cc1nc2cc(C(=O)NN)ccc2c(=O)n1N	675047146	RBHSPQVNTVGVSA-UHFFFAOYSA-N	233.231	-0.978	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(CC(=O)NN)C1	687214056	XWERLVRZSMLMSV-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
Cc1nccnc1Cn1nc(C)c(B(O)O)c1C	687301207	PYKLXFXLYMCUPZ-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
C[C@H]1COC[C@H](C)N1CCCC(=O)NN	688938262	WNSZPJXEBSYDHN-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CCS(=O)(=O)Nc1cccc(B(O)O)c1F	690158729	BKHCCKZFDDXFHK-UHFFFAOYSA-N	247.056	-0.733	50	10	BBGE	
CN(C)C[C@H](O)CN(C)S(=O)(=O)CCl	690248326	BHWFOFQETAXUKW-ZETCQYMHSA-N	244.744	-0.633	50	10	BBGE	
COC[C@@H](CN(C)[C@H](C(=O)NN)C(C)C)OC	691286331	LKSREUSGKYQWIL-ZJUUUORDSA-N	247.339	-0.406	50	10	BBGE	
CC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	692113140	IGSLHGLMLXVERO-QMMMGPOBSA-N	211.265	-0.399	50	10	BBGE	
COC[C@](C)(N)C(=O)N1CCC(O)(C#N)CC1	692131321	BZLGNRVTDIJTBR-JTQLQIEISA-N	241.291	-0.773	50	10	BBGE	
O=C(NCB(O)O)c1cccnc1Cl	702021698	CHJHVJUASKSWLD-UHFFFAOYSA-N	214.417	-0.523	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)[S@](C)=O	703424320	MCCOFYPOYWRWOA-MKBRYRQJSA-N	245.300	-0.330	50	10	BBGE	
COCC1(N(C)Cc2ccccc2B(O)O)CC1	707117171	NFMBRODXCJZYCJ-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC(n2cncn2)C1	707390107	BXBICXBKFVBDBN-HTQZYQBOSA-N	238.295	-0.851	50	10	BBGE	
CN([C@@H]1COC[C@H]1O)[C@@H](C(=O)NN)C(C)(C)C	708124844	RIMFGVSXYSQMDB-HLTSFMKQSA-N	245.323	-0.918	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]2COC[C@@H]21	711040358	HYMNRDHLOJTCLC-UTLUCORTSA-N	243.307	-0.898	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCc1ncc(B(O)O)s1	714577908	RGBONIJMQWMZQD-WDSKDSINSA-N	240.093	-0.905	50	10	BBGE	
NNC(=O)c1nc(CSC2COC2)ns1	724325093	STOLPZGCIAWUHZ-UHFFFAOYSA-N	246.317	-0.226	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(=O)C1CCC1	765081745	ZPAKDKAYVTVAHT-UHFFFAOYSA-N	249.336	-0.006	50	10	BBGE	
CCNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C	770573383	XWDXCPYXHLDPKI-RQJHMYQMSA-N	231.321	-0.073	50	10	BBGE	
CC[C@@H](CN)C(=O)N1CCC(O)(C#N)CC1	821980309	BKOGOQPQBKYXMW-VIFPVBQESA-N	225.292	-0.152	50	10	BBGE	
COC1(C(=O)NNC(=O)N2CCOCC2)CC1	843779443	RUSXUXGAQSPPCT-UHFFFAOYSA-N	243.263	-0.762	50	10	BBGE	
CCN(CCO)NC(=O)c1cc(C(N)=O)c[nH]1	1143303278	MLNCJZVLLAEZSY-UHFFFAOYSA-N	240.263	-0.927	50	10	BBGE	
O=C1N[C@H](C(=O)NNc2ccccn2)CO1	1153263758	FGOHPPRHNILQPH-LURJTMIESA-N	222.204	-0.367	50	10	BBGE	
CC(=NNC(=O)C(N)=O)c1cc2n(n1)CCCC2	1329409375	GMDAYQNBESAIMY-UHFFFAOYSA-N	249.274	-0.455	50	10	BBGE	
CC(=NNC(=O)C(C)(C)O)[C@@H]1COCCO1	1338724179	ONGWBNOQRGWRDH-QMMMGPOBSA-N	230.264	-0.335	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	1450951971	YDXCCNDOQOMWSB-HLTSFMKQSA-N	243.307	-0.768	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@H]2CCC(=O)N2)nc1	1455573081	URNLZLQHTACOCB-MRVPVSSYSA-N	245.242	-0.325	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1=C[S@](=O)CCC1	1631399276	XSMGLEZQKDBQCO-MRXNPFEDSA-N	245.304	-0.285	50	10	BBGE	
CS(=O)(=O)SCCNC(=O)c1cnc[nH]1	1644279004	ZXRBWGLYPXPPKT-UHFFFAOYSA-N	249.317	-0.168	50	10	BBGE	
NC(=O)CC[C@H](NC(=O)CCCl)C(=O)O	1866011424	KQWZCBWXFBVJGJ-YFKPBYRVSA-N	236.655	-0.550	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H]1CCN1	1883626888	MTXMYQRRKAXKDA-LURJTMIESA-N	202.641	-0.214	50	10	BBGE	
NC[C@@H](O)C(=O)NCC1CC(Cl)C1	1883648868	IAYXTIXNWNGTNI-KPGICGJXSA-N	206.673	-0.560	50	10	BBGE	
CCCN(C)C1CN(CC(=O)NN)C1	1889330380	ILFFXYQDWXUPDB-UHFFFAOYSA-N	200.286	-0.998	50	10	BBGE	
COCCN=C(NN)NC[C@@H]1C[C@H]1Cl	1893089498	USNYCXLOASXDME-NKWVEPMBSA-N	220.704	-0.331	50	10	BBGE	
C=C(CN1C[C@@H]2[C@@H](C1)C2(F)F)B(O)O	1895169990	UZCDSVUCZQQHFW-RNFRBKRXSA-N	202.997	-0.249	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@@H]2CNC[C@@H]21	1897226637	KOSLBFXGZPVCQI-PPYPBTKYSA-N	244.678	-0.493	50	10	BBGE	
C[C@@H](COC[C@H]1COCCCO1)C(=O)NN	1901434720	AFZPBKCFXXZGAY-DTWKUNHWSA-N	232.280	-0.566	50	10	BBGE	
C=C1CON(C[C@H]2CCC[C@@H](C(=O)NN)O2)C1	1909809621	ZREJUINPOHTCOQ-ZJUUUORDSA-N	241.291	-0.283	50	10	BBGE	
O=C(C[C@@H]1C[C@H]1C(F)(F)F)NCC#CB(O)O	1910313348	UZQFDPDGGIMICD-NKWVEPMBSA-N	248.997	-0.294	50	10	BBGE	
CC[C@@H]1CCN(CCOCC(=O)NN)CCO1	1913639993	RSZZHDOANDTPER-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C1(CO)CCC1	1915005234	VWZMHFBLNKCHQO-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CCN(CC(F)(F)C(=O)NN)C1COC1	1915660134	KTJJUEXABPIRLY-UHFFFAOYSA-N	223.223	-0.668	50	10	BBGE	
C[C@]1(Br)C[C@@H]1C(=O)NCB(O)O	1923746628	KNVLNEVPMPRKMC-XINAWCOVSA-N	235.874	-0.712	50	10	BBGE	
CC[C@@H]1OCC[C@H]1C(=O)NNCCO	1929834843	IZABPYDRPWHZAW-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
Cc1cn(CCNS(=O)(=O)CCl)nn1	1930811066	QTIJELKMNVOLFD-UHFFFAOYSA-N	238.700	-0.298	50	10	BBGE	
O=C(CCl)NC[C@@H]1CCS1(=O)=O	1930853726	RBNOUNGBILUJSZ-YFKPBYRVSA-N	211.670	-0.472	50	10	BBGE	
NNC(=O)C1(CN2CCC(O)CC2)CC1	1931260838	WMQTXFMQTDGWFA-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1[C@H](C)C(=O)NN	1934982019	WOEKOJUZTPCCRF-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
COCCCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936093443	DVRXQLUBGYBLOL-VHSXEESVSA-N	229.324	-0.029	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCn2nccc2C1	1936148458	DSDZNPSYOCGVJT-VIFPVBQESA-N	223.280	-0.533	50	10	BBGE	
CN(C(=O)Cn1cnnc1)[C@@H]1COC[C@@H]1Cl	1937145309	JLWBTXRPBDGCRS-JGVFFNPUSA-N	244.682	-0.257	50	10	BBGE	
CCNC(=O)CN(CC)C[C@@H]1C[C@H]1C(=O)NN	1941092483	APLHEZCXOCXARI-DTWKUNHWSA-N	242.323	-0.930	50	10	BBGE	
NNC(=O)COCCN1CC[C@@H]2COCC[C@@H]21	1941781100	XHMRSBQWRPIRFK-ZJUUUORDSA-N	243.307	-0.896	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)[C@H]1C(N)=O	1942617297	XCNUEHHUPFSJKO-NQMVMOMDSA-N	242.323	-0.659	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](O)C2(CC2)C1	1944604880	YQYPBBARQBKQJQ-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@]2(C1)CC2(F)F	1950343542	GMZDHROGZUCCLD-RCOVLWMOSA-N	247.245	-0.082	50	10	BBGE	
CCN(C[C@H](O)CCl)[C@@H]1CCNC1=O	1956859240	UUROKYVFTWNACS-HTQZYQBOSA-N	220.700	-0.204	50	10	BBGE	
O=C(CCCl)N1CC[C@H](N2CC(O)C2)C1	1958209418	CTFMRWLTFQLULY-QMMMGPOBSA-N	232.711	-0.107	50	10	BBGE	
Cc1ccc(CN(C)CC(=O)NN)nc1	1959102992	MYHXOEUTWNKCKK-UHFFFAOYSA-N	208.265	-0.188	50	10	BBGE	
NNC(=O)CCCN1C[C@H](F)[C@@H](CO)C1	1974559716	ZRQHVEDURWAXLX-SFYZADRCSA-N	219.260	-0.981	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1OCC[C@@H]1F	1975254285	CWLLGKRGOILCHF-GJMOJQLCSA-N	219.260	-0.576	50	10	BBGE	
COC[C@]1(C)COCCN1CCC(=O)NN	1980190907	ZCTULANRLFIYQN-SNVBAGLBSA-N	231.296	-0.896	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[S@](=O)[C@@H](C)C1	1981188878	RWYMITLCDRZALV-DRTKUVKGSA-N	247.364	-0.546	50	10	BBGE	
Cc1cnc(N(C)CC2CC2)c(B(O)O)c1	1981468931	KATHSGIRWQEKAS-UHFFFAOYSA-N	220.081	-0.084	50	10	BBGE	
C[C@@H](CN1CCOC[C@@H]1C(F)F)C(=O)NN	1982687005	LQKUVLIVGIKVBC-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
CCC[C@@H](OCCn1cncn1)C(=O)NN	1986446403	UJWPORRYCHBOCM-MRVPVSSYSA-N	227.268	-0.547	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H]2CC[C@@H]2C1	1990745368	IGCKULPDETYDIX-NXEZZACHSA-N	225.292	-0.114	50	10	BBGE	
CNC[C@H]1CN(C(=O)/C=C/C(=O)Cl)CCO1	1991715400	UGOUCJFDEJGJHI-SGJFDWMWSA-N	246.694	-0.245	50	10	BBGE	
Cc1ncnc(OC[C@@H]2C[C@@H]2C)c1B(O)O	1993081425	QISCBEFUBRDPAL-XPUUQOCRSA-N	222.053	-0.500	50	10	BBGE	
COC[C@]12C[C@@H]1CN(C[C@@H]1C[C@@H]1C(=O)NN)C2	2001039743	CIMXMMAZPQVEHK-MIZYBKAJSA-N	239.319	-0.419	50	10	BBGE	
C[C@H](CN(C)CCN1CCCC1=O)C(=O)NN	2004257090	RCGXEVZYSDZGTD-SECBINFHSA-N	242.323	-0.833	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCN1CCOC1=O	2004403183	WKEUEYOTGOFVFA-MRVPVSSYSA-N	244.295	-0.861	50	10	BBGE	
NNC(=O)c1occc1CN1CCO[C@H]2C[C@@H]21	2004485672	BHXOJNGISUKCPR-IUCAKERBSA-N	237.259	-0.144	50	10	BBGE	
CCN(C[C@@H](C)OC)c1ncccc1B(O)O	2004935980	SOJXROAOVDMYKD-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C[C@@H]3C2)c(F)c1	2005014503	MJMZLPVJXYSYLC-JGVFFNPUSA-N	236.055	-0.253	50	10	BBGE	
COC[C@]1(F)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	2009643430	ZKQFEETWLHBVCJ-YWVKMMECSA-N	245.298	-0.327	50	10	BBGE	
CN(CC(=O)NN)Cc1cccc2nccn12	2012353621	IORAGZDUUMMFAX-UHFFFAOYSA-N	233.275	-0.244	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2(CCC2)C1	2014931220	ZCQNNZXEGPFUJP-UHFFFAOYSA-N	236.055	-0.109	50	10	BBGE	
CO[C@H]1C[C@H](CNC(=O)C(=O)NN)C12CCC2	2016044377	WYDLRERVENVFLY-SFYZADRCSA-N	241.291	-0.702	50	10	BBGE	
C=C(CN1CC[C@@H]2[C@H](CCCN2C)C1)B(O)O	2021159181	OQYNYFBGDSXLBB-VXGBXAGGSA-N	238.140	-0.029	50	10	BBGE	
COC[C@@H](C)OC[C@]12C[C@](C(=O)NN)(CO1)C2	2023853205	KXMHKVSPSMDWOB-FBIMIBRVSA-N	244.291	-0.423	50	10	BBGE	
Cc1cnn(C2CN(C[C@@H]3C[C@@H]3C(=O)NN)C2)c1	2050891672	MIRHEVXXBSBQES-ONGXEEELSA-N	249.318	-0.326	50	10	BBGE	
Cc1ncnc(N2CCCCC23CC3)c1B(O)O	2052550228	PGYXMUPNPSCVKA-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC3(C)CC2C3)n1	2052623583	LJUPCRDMIHWQNI-UHFFFAOYSA-N	247.107	-0.238	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@@H]1C[C@H]1C1CC1	2058156315	SQSGXZFTAFWEKM-PWSUYJOCSA-N	247.103	-0.036	50	10	BBGE	
CN(C[C@@H]1CC12CCC2)c1ncncc1B(O)O	2069258602	CBDDWEZJRRVJGV-VIFPVBQESA-N	247.107	-0.217	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3CC[C@@]3(C)C2)n1	2087041928	ORMZIJDOTHJZIE-CABZTGNLSA-N	247.107	-0.299	50	10	BBGE	
O=S(=O)(CCCl)N=c1nc[nH]s1	2209097198	YVPRRFDGWCDFNM-UHFFFAOYSA-N	227.698	-0.060	50	10	BBGE	
Cn1nccc(NC(=O)CCl)c1=O	2209234221	FSADVINZHDQVID-UHFFFAOYSA-N	201.613	-0.042	50	10	BBGE	
CO[C@@H]1CCN(Cc2ccc(B(O)O)s2)C1	2211077412	CYLHJMNFVQXLSU-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
COC[C@H](C)N(C)Cc1nscc1B(O)O	2211138770	ZQNAUPJUAWNCIM-ZETCQYMHSA-N	244.125	-0.710	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)C1(C)COC1	2211838727	KRWWWPNYWRBWJU-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(CCO)Nc1ccc(B(O)O)cn1	2212602211	AFPXVLCANUVWLE-UHFFFAOYSA-N	224.069	-0.666	50	10	BBGE	
C#C[C@@H](Nc1ccc(B(O)O)cn1)C1CC1	2212606299	RQLJPJQFCCZFFK-SNVBAGLBSA-N	216.049	-0.415	50	10	BBGE	
C#C[C@](C)(CC)Oc1cc(B(O)O)ccn1	2212607482	BKZRKPCQXBZHSL-LLVKDONJSA-N	219.049	-0.058	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCCO2)nc1	2212612207	IFLLSGVXIXHJDN-SECBINFHSA-N	222.053	-0.648	50	10	BBGE	
CN(CC(=O)NN)C[C@@H](O)c1cccc(O)c1	2213760133	AQBPXMGJBTZFJH-SNVBAGLBSA-N	239.275	-0.653	50	10	BBGE	
C[C@@H]1C[C@@H](O)CCN1CC1(C(=O)NN)CCC1	2216490356	CNJCSZHOYOVZQH-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@H]1COCC(=O)N1CC1(C(=O)NN)CCC1	2216490691	HKLXVUGQJZVWQY-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
C[C@]1(O)CCCN(CC2(C(=O)NN)CCC2)C1	2216494946	IBMUOZMXCYQORV-NSHDSACASA-N	241.335	-0.007	50	10	BBGE	
OC[C@@H](CC1CC1)Nc1ccc(B(O)O)cn1	2217178589	YCFOFZFUGCZGBS-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
Cc1cnc(N2CCC[C@@H]2CO)cc1B(O)O	2217178831	BHMBUBFPXYCSBW-SECBINFHSA-N	236.080	-0.969	50	10	BBGE	
C[C@@](O)(CNc1cc(B(O)O)ccn1)C(F)F	2217180819	LCPLQOULQMYECM-SECBINFHSA-N	246.022	-0.811	50	10	BBGE	
CNCC[C@@H](C)Oc1nccc(B(O)O)c1F	2217186874	PZGGRWQJEDFHGC-SSDOTTSWSA-N	242.059	-0.723	50	10	BBGE	
NC[C@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)C1	2217199557	NFZZXHJUZAMTME-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
CC1(C2CCC2)CN(c2ncncc2B(O)O)C1	2220735715	KRYIAFNDULOTRY-UHFFFAOYSA-N	247.107	-0.217	50	10	BBGE	
C[C@@H]1CCCN(c2ccc(B(O)O)cn2)[C@@H]1CN	2223631934	CRPHCKASWSAUPG-MWLCHTKSSA-N	249.123	-0.675	50	10	BBGE	
C#CC1CCC(Nc2ncc(B(O)O)cn2)CC1	2223633574	YEJCISXWFJZOSM-UHFFFAOYSA-N	245.091	-0.240	50	10	BBGE	
Cc1cnc(N(C)c2cnn(C)c2)cc1B(O)O	2223641255	RWYOHWJVKVXQTO-UHFFFAOYSA-N	246.079	-0.429	50	10	BBGE	
Cc1cnc(NCc2cnoc2C)cc1B(O)O	2223647314	WHRAIPYEKGGGGH-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@@H]2COC[C@H]2C1	2223665186	DGFZACURTNEEGI-RKDXNWHRSA-N	248.091	-0.402	50	10	BBGE	
C[C@@H](CO)N(C)S(=O)(=O)N1CC(Cl)C1	2241349045	ZCTDVUKXLOTUMS-LURJTMIESA-N	242.728	-0.533	50	10	BBGE	
CCN(CCO)S(=O)(=O)N1CC(Cl)C1	2241353097	CBBQWARJDHXIBE-UHFFFAOYSA-N	242.728	-0.532	50	10	BBGE	
O=C(Nc1nncs1)[C@H]1C[C@@H]1B(O)O	2241480527	MEAAPJUVSJYOSA-IMJSIDKUSA-N	213.027	-0.661	50	10	BBGE	
CC1(C)CCN1C(=O)c1coc(B(O)O)c1	2243350144	WENQZLXADOGEOU-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CC[C@@H]1C[C@@H](NC(=O)C#CB(O)O)CCO1	2243356707	LYYGHNQCOWEPTF-DTWKUNHWSA-N	225.053	-0.924	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1ccoc1B(O)O	2243362187	NGBBPKCMQBCTOP-IYSWYEEDSA-N	227.000	-0.953	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@H]2CCC[C@@H]2C1	2243362624	UITTVSAEKHCXQY-NXEZZACHSA-N	221.065	-0.350	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C(=O)C1(B(O)O)CC1	2243365499	NLHCDGZGRXOSKV-JGVFFNPUSA-N	227.069	-0.635	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)N	2243382929	SGFOQTUVMNKGDT-KKMMWDRVSA-N	228.101	-0.519	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NC1CCC1	2243385428	IRSMVHZLXQAKMC-UHFFFAOYSA-N	240.093	-0.586	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2243386054	UBGFXOQHEHRLMM-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
COC(C)(C)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243403922	GGGSKNNXVIBHFJ-JGVFFNPUSA-N	229.085	-0.219	50	10	BBGE	
CN(CCNC(=O)C1(B(O)O)CC1)C1CC1	2243409785	OXEIGKNHBBSWSS-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H]1O	2243410485	CCVPRFQGNUFORT-JGVFFNPUSA-N	227.069	-0.777	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1sncc1B(O)O	2243415249	QTEPPUKZZBBDBB-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCOC1	2243426808	MDNSYGKVWPTRMH-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
CC#CC(=O)Nc1ccc(C)c(B(O)O)c1	2243684911	JFYRGTJHCAEMFI-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C=CCN(Cc1nsc(C(=O)NN)n1)OC	2244259226	VKRCIDBOGHMOMX-UHFFFAOYSA-N	243.292	-0.309	50	10	BBGE	
COCCCCSc1ncc(B(O)O)cn1	2244688309	PPJOOEFFOODLKF-UHFFFAOYSA-N	242.109	-0.325	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@H]2C[C@H]2C1	2247742512	PSMYQALNIVQSHB-YUMQZZPRSA-N	235.048	-0.559	50	10	BBGE	
CC12CC(CN1C(=O)c1ccc(B(O)O)o1)C2	2247743150	ZLZJCQADKOBTKL-UHFFFAOYSA-N	235.048	-0.416	50	10	BBGE	
CCOCCCNC(=O)c1ccoc1B(O)O	2247743780	JCLYJHTXLWDSFR-UHFFFAOYSA-N	241.052	-0.884	50	10	BBGE	
O=C(C#CB(O)O)Nc1cnn(C(F)(F)F)c1	2247743803	JMIRCCMIUKGWGY-UHFFFAOYSA-N	246.941	-0.687	50	10	BBGE	
Cc1cccc(C(=O)NC2CCC2)c1B(O)O	2247752651	TZHRLHIIUFSGDO-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C(=O)C1CC(B(O)O)C1	2247791651	OEPOKVNUYNDAKR-AFWXGSBKSA-N	241.096	-0.125	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797007	FMFTYLODPWPMJD-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
N[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C12CCC2	2247798091	QBTXAHJTWSZUHR-MAUMQABQSA-N	238.096	-0.765	50	10	BBGE	
O=C(NCCOCCC1CC1)[C@@H]1C[C@H]1B(O)O	2247800230	MYRFWOJXGPXNIR-NXEZZACHSA-N	241.096	-0.218	50	10	BBGE	
CN(CCn1cccc1)C(=O)[C@H]1C[C@H]1B(O)O	2247800613	QRNDMFSPVSINRV-VHSXEESVSA-N	236.080	-0.191	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@]2(O)C[C@@H]2C1	2247806805	GHSQFGQAASWUNZ-LURLDICESA-N	239.080	-0.777	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@@H]1C[C@H]1B(O)O	2247809797	RKMJTIIISHWKRJ-JZSCEWGHSA-N	235.092	-0.133	50	10	BBGE	
N#CCCCCNC(=O)c1cc(B(O)O)c[nH]1	2247846670	KIPHDYPBXRATQH-UHFFFAOYSA-N	235.052	-0.882	50	10	BBGE	
CCCN(CC)C(=O)c1ncccc1B(O)O	2247869770	YFDKQQMQMULGNG-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
O=C(N1Cc2c[nH]nc2C1)C1(B(O)O)CCC1	2247874962	RDRVIHHWBZLAHQ-UHFFFAOYSA-N	235.052	-0.351	50	10	BBGE	
Cc1ccnnc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2247886769	GFKQRRVXGRBPCZ-HTQZYQBOSA-N	235.052	-0.736	50	10	BBGE	
COC[C@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2247892123	USJJHIWNPXBHCM-RTBKNWGFSA-N	241.096	-0.219	50	10	BBGE	
O=C(N=c1ccnc(F)[nH]1)[C@H]1C[C@H](B(O)O)C1	2247897477	SUXVSKKEDUQJMA-IZLXSQMJSA-N	239.015	-0.771	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)C1CC(B(O)O)C1	2247902232	DBOXFJXPGKWXHG-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
CCn1cc(C(=O)OC(C)(C)C)nc1B(O)O	2247979796	QHICYMDBAWFZDP-UHFFFAOYSA-N	240.068	-0.462	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2248573840	KGGGAKQBQWERKN-FXQIFTODSA-N	241.052	-0.781	50	10	BBGE	
C#C[C@@H](CCC)NC(=O)c1cc(B(O)O)co1	2249410852	OXRIUWNEQBSECK-VIFPVBQESA-N	235.048	-0.509	50	10	BBGE	
C#CCCN(CC)C(=O)c1cocc1B(O)O	2249418404	SZMAXQLBKMKRPI-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCN1	2249940904	QCZYLTYRJVAAMG-NFTFJBJSSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1C[C@@H]2CCC[C@H]2N1c1ncc(B(O)O)cn1	2254255743	BCVBSGTXORELAI-WCABBAIRSA-N	247.107	-0.076	50	10	BBGE	
O=C(NCC1[C@H]2CC[C@H]12)c1ccncc1B(O)O	2255449699	PHGPSOIQTXXANA-YUMQZZPRSA-N	246.075	-0.853	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ccc(B(O)O)cn2)C1	2255520364	JTWCRBTWRDLFPB-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1cc(B(O)O)n[nH]1	2255551638	AEBZJUZFTNKBQH-JGVFFNPUSA-N	249.079	-0.992	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(OC)c(B(O)O)c1	2255691409	DDVFDXLCJWEMOZ-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256018135	XFZACBOLUCRYJD-JTQLQIEISA-N	249.075	-0.400	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](C2)[C@@H]3O)c1	2258312969	RUMAETYMLHIRNE-PJXYFTJBSA-N	247.103	-0.821	50	10	BBGE	
C#CC1(NC(=O)c2ccncc2B(O)O)CCC1	2259904702	OOPKVIFGRSWISV-UHFFFAOYSA-N	244.059	-0.953	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1ccncc1B(O)O	2260240605	NBNJGTKCXHJAAT-SECBINFHSA-N	248.091	-0.297	50	10	BBGE	
CCO[C@H]1C=CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368764	WMBQXMJAPJWWNM-AEJSXWLSSA-N	239.080	-0.347	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)[C@H](CN)C1	2298370230	SKKBWXUBBXVLCT-XFWSIPNHSA-N	240.112	-0.565	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)C(=O)[C@@H]1C[C@H]1B(O)O	2298371274	GAMURDBJRKJEMF-VAPHQMJDSA-N	239.080	-0.657	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1cc(B(O)O)co1	2301201363	LVYRYGYWQDVVLE-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCO[C@@H](CO)C1	2302048963	CBJYBWFSFVYNTF-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
O=Cc1ccc(N2CCC[C@H](O)C2)cc1B(O)O	2317351009	AYKKMXWBXLLTFI-NSHDSACASA-N	249.075	-0.860	50	10	BBGE	
OB(O)c1cccnc1N1CCN[C@@H]2CCC[C@H]21	2319236386	BJNFSYUXCLSXJY-GHMZBOCLSA-N	247.107	-0.908	50	10	BBGE	
OB(O)c1ccn(Cc2ccc3nccn3c2)n1	2320459098	WWVTWPCNTLLAFS-UHFFFAOYSA-N	242.047	-0.741	50	10	BBGE	
N#CC(=CNCCO)C(=O)N1CCCCC1	2325471155	VZNRXSNRXAZVPD-UHFFFAOYSA-N	223.276	-0.012	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H](CCO)C1	51896693	ZRQRQPHCLGETLC-JTQLQIEISA-N	243.307	-0.752	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@@H](O)C[C@@H]1C(N)=O	70797359	GOZWSSXOAGRPBI-LYFYHCNISA-N	234.683	-0.692	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)C(=O)NN)C[C@@H]1C	82847385	JXLMRJYIEUESHJ-BIIVOSGPSA-N	213.281	-0.083	50	10	BBGE	
C[C@H]1C(=O)NC(=O)CN1C(=O)CCCCl	85087019	YORRLZHNDPKCBK-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)c1nnnn1C	85138967	WXRZJLGRTSYUPX-YFKPBYRVSA-N	238.700	-0.141	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC[C@H](C(N)=O)C1	93071685	JAHMBFNXMJGKRX-YIZRAAEISA-N	242.323	-0.802	50	10	BBGE	
COC(=O)NS(=O)(=O)NC[C@H](C)Cl	168627709	AOQLSLAIJACAJJ-BYPYZUCNSA-N	230.673	-0.196	50	10	BBGE	
CC(C)(/C=C\C#N)[C@H](O)C[C@H](O)C(N)=O	200950680	STLIVLFQHMYSKM-UIPXTHJYSA-N	212.249	-0.310	50	10	BBGE	
O=C(O)c1cc(Cl)ncc1B(O)O	206056471	OJPWCPPSIPYSPD-UHFFFAOYSA-N	201.374	-0.887	50	10	BBGE	
COc1cc(CO)ccc1OCCC(=O)NN	234796931	DRKFPCYUGKCKFM-UHFFFAOYSA-N	240.259	-0.054	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H](C)CO	252804356	CYRDGOKPPOFMHP-SFYZADRCSA-N	203.286	-0.687	50	10	BBGE	
COC(=O)N(C)CC(=O)NNC(=O)NC(C)C	299291428	FVPYLRYFCKOJSU-UHFFFAOYSA-N	246.267	-0.577	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O)C(=O)NN	305961638	FLHVIICBYUTJCU-HDKHJMDYSA-N	239.319	-0.687	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	306038015	RGFCCKXHSTUWAN-FARSXFODSA-N	239.319	-0.544	50	10	BBGE	
Nc1c(O)ccc2c(B(O)O)csc12	306872433	VDACURSTPJPWIB-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
Nc1c(B(O)O)cc2ccsc2c1N	306931050	CCFYNSOQGMHLQE-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCN(C(=O)NN)[C@@H]1CCS(=O)(=O)C1	307223419	KCGQLHKDOYTLLM-ZCFIWIBFSA-N	221.282	-0.921	50	10	BBGE	
O=C(CCl)NC[C@@H](O)[C@@H]1CCOC1	308370098	KIZDUBXFGKETSF-RNFRBKRXSA-N	207.657	-0.261	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1C[C@@H](C)O	310118686	AQUNJJJEZNIGIY-PSASIEDQSA-N	243.307	-0.611	50	10	BBGE	
CC(=O)[C@@H](Cl)c1ccc(B(O)O)c(O)c1	396025213	TWVCAVVJKGVWMB-SECBINFHSA-N	228.440	-0.059	50	10	BBGE	
N#CCCc1ccc(B(O)O)c(/C=C\C(=O)O)c1	396142785	SCVOEYFDAUGGOY-XQRVVYSFSA-N	245.043	-0.080	50	10	BBGE	
CSCC(=O)Nc1cc(C)ccc1B(O)O	405031460	PUJIBJZXCNLGMO-UHFFFAOYSA-N	239.105	-0.024	50	10	BBGE	
Cn1cccc1C(=O)Nc1cccc(B(O)O)c1	405061127	PTLHTQGQNKRKAD-UHFFFAOYSA-N	244.059	-0.043	50	10	BBGE	
O=C1N[C@@H](C(=O)NNC(=O)C2CCCC2)CO1	497264115	VLRLXKAVUXXKJQ-SSDOTTSWSA-N	241.247	-0.568	50	10	BBGE	
CO[C@@H](CN(C)CC(=O)NN)C1CC1	692215556	IZSXYTLIDARIOU-QMMMGPOBSA-N	201.270	-0.667	50	10	BBGE	
N#C[C@@H]1CCCN(CCCC(=O)NN)C1	703230682	VJLMFADZQQVCLX-VIFPVBQESA-N	210.281	-0.008	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCC[C@H]21	706938011	LLWLDXVQZBWTTL-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
OB(O)c1cccc(F)c1O[C@@H]1CCOC1	707071850	BGPIDVLUCKHLFV-SSDOTTSWSA-N	226.012	-0.327	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@@H](O)C1CC1	708543611	IFQLALGQDCEKGR-WCBMZHEXSA-N	229.324	-0.152	50	10	BBGE	
C#CCCS(=O)(=O)N[C@@H]1COC[C@H]1Cl	710886086	KKMLDJNHPSFBJM-HTQZYQBOSA-N	237.708	-0.065	50	10	BBGE	
NNC(=O)CN1C[C@H]2CSC[C@@H]2C1	711524007	DBJVYIVWHUJNKU-BQBZGAKWSA-N	201.295	-0.729	50	10	BBGE	
NNC(=O)C(=O)NC1(C2CCC2)CCC1	717878381	JNNKIZUENFDLCL-UHFFFAOYSA-N	211.265	-0.185	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@]1(C)CO	723021813	AWXMOVPQPQNCBJ-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
C=C(C#N)[C@@](O)(C(=O)OCC)c1nc[nH]n1	725373901	FAQVQGDNFSWSRU-VIFPVBQESA-N	222.204	-0.365	50	10	BBGE	
Cc1ccccc1C(=O)NNC(=O)CC(N)=O	740740067	NCWMEFHBDNTSKV-UHFFFAOYSA-N	235.243	-0.369	50	10	BBGE	
CC(=O)N(C)CC(=O)NNC(=O)c1ccoc1	747183129	OQAXQKNQBMHQGG-UHFFFAOYSA-N	239.231	-0.481	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1	824835304	PYFSZIUZQYCKRH-IYSWYEEDSA-N	224.220	-0.794	50	10	BBGE	
C[C@H]1CN(Cc2ccc(B(O)O)cc2)C(=O)N1	953107786	WSVZAJPMPFUZGK-QMMMGPOBSA-N	234.064	-0.720	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN1CCOC[C@@H]1C	1307784846	IUVXVFQETMBKRE-VIFPVBQESA-N	243.307	-0.490	50	10	BBGE	
COCCN(CC(C)C)NC(=O)C1(O)COC1	1456136630	XFLOPVUQDKKNBZ-UHFFFAOYSA-N	246.307	-0.617	50	10	BBGE	
C=CC(=O)NCCNC(=O)/C(C#N)=C\OCC	1565593199	DVVVULBBUGLPMW-HJWRWDBZSA-N	237.259	-0.151	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1566238345	FEUKIUFELJUXGE-JKEVLIGASA-N	240.259	-0.616	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccncn1	1631398285	GFOGYFGCSOXEQA-UHFFFAOYSA-N	209.209	-0.607	50	10	BBGE	
CC[C@H](C)n1nccc1C(=O)NNC(=O)CO	1641424625	VSUFBVYNILJPMZ-ZETCQYMHSA-N	240.263	-0.393	50	10	BBGE	
O=C1NOC[C@H]1NC(=O)[C@H]1C[C@@H]1Br	1883531450	RLTPLIOCDCQRTG-VAYJURFESA-N	249.064	-0.684	50	10	BBGE	
Cl[C@@H]1C[C@@H]1CNCCn1ncnn1	1883555117	XFVDWWXXWOFTJT-RNFRBKRXSA-N	201.661	-0.110	50	10	BBGE	
COC[C@H](NC[C@@H]1C[C@H]1Cl)C(N)=O	1883563696	MYICXSWDZFAVBR-XVMARJQXSA-N	206.673	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CO[C@H]1CCOC1	1886077262	SYRIVRZBDANTAD-CSMHCCOUSA-N	200.238	-0.582	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@H](C(F)(F)F)C1	1886612908	FLVLKDUTEAWFBN-DMTCNVIQSA-N	213.159	-0.121	50	10	BBGE	
CC[C@H](CN(C)[C@H](C)C(=O)NN)OC	1887657058	JZCGJXQFDKSNPL-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@@H](C)O	1888561735	IIUXFGWMYPRMES-ZCFIWIBFSA-N	224.282	-0.932	50	10	BBGE	
NC1CC(O)(CNC(=O)[C@@H]2C[C@@H]2Cl)C1	1893446715	QDBBLIBWIONIIL-SSCUJNNDSA-N	218.684	-0.418	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1O)[C@H]1C[C@@H]1Cl	1893453889	RMPNGMAMXPNIHN-HSNKUXOKSA-N	219.668	-0.120	50	10	BBGE	
C=C(CN1CC2(C1)CC2(F)F)B(O)O	1895150200	VTTUBFJDMYVKKA-UHFFFAOYSA-N	202.997	-0.104	50	10	BBGE	
CN(NC(=O)CC1(N)CCCC1)S(C)(=O)=O	1901339305	LSIJXFNFQMLVPK-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
C=C1C[C@@H]1C(=O)NCc1cnc(B(O)O)s1	1902403788	LJSWNRPMTVSSPT-ZETCQYMHSA-N	238.077	-0.985	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@]23COC[C@H](C2)C3)C1	1902511245	FTGLDNFMFAISOV-MXWKQRLJSA-N	225.097	-0.038	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3C[C@@H](C2)C3)n1	1902638016	UJMVQQQIINCTDN-OCAPTIKFSA-N	238.121	-0.335	50	10	BBGE	
N[C@H]1COC[C@@]1(NCC1CC(Cl)C1)C(=O)O	1904229543	KCUSBOYTTVHASR-UKRMECCQSA-N	248.710	-0.226	50	10	BBGE	
O=C(O)[C@]1(NC[C@@H]2C[C@@H]2Cl)CNCCOC1	1904376561	ATVLMSGZTGRZFR-NRPADANISA-N	248.710	-0.354	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	1907736837	KAANINLJFWHCEY-VLEAKVRGSA-N	241.335	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H]2CCO[C@@H]2C1	1909985600	IHRDZYJZFSBNOW-NXEZZACHSA-N	241.291	-0.736	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H](CO)[C@@H]2C1)C(=O)NN	1911289760	ZQPZULBEQSEFJV-AEJSXWLSSA-N	241.335	-0.437	50	10	BBGE	
COC(=O)[C@H](C)NNC(=O)C(F)(F)F	1923407595	YPKHWOPTUAWIGJ-VKHMYHEASA-N	214.143	-0.269	50	10	BBGE	
Cc1nc(Cl)cc(C(=O)NNCCO)n1	1929832814	ZBEUCQSXBGNBCZ-UHFFFAOYSA-N	230.655	-0.335	50	10	BBGE	
CN1CC2(C1)CN(C[C@H](Cl)C(=O)O)C2	1932012051	QFSBSCLXZVAZPH-ZETCQYMHSA-N	218.684	-0.074	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)OCCl	1932514276	WQHIDRLBZWZDBM-BYPYZUCNSA-N	230.673	-0.414	50	10	BBGE	
CC1(C)[C@@H](C(=O)NNCCO)C1(F)F	1933069654	HVMFEIBATMVACU-RXMQYKEDSA-N	208.208	-0.109	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@H]1COCCO1	1935544859	AXSZKWLIEDJCPI-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CC(C)(C)N(CCO)C[C@@H]1C[C@@H]1C(=O)NN	1936082026	CEDXUDNCJLBBLH-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
COCCCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1936093444	DVRXQLUBGYBLOL-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)CCO1	1936094345	MKRPNKJBTZMFRD-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(C)N(CCO)CCOCC(=O)NN	1936529505	MBQLKWLULZVNMO-UHFFFAOYSA-N	233.312	-0.914	50	10	BBGE	
CNCCCCN(C)CC(=O)NNC(C)=O	1937859088	QTQBSQLWKJEOKJ-UHFFFAOYSA-N	230.312	-0.915	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	1940669139	BIZLEZWPTRFQCC-JBLDHEPKSA-N	240.351	-0.362	50	10	BBGE	
CCn1nncc1CN(C)C[C@H](C)C(=O)NN	1950439542	UNUKPXOAPCOYPG-QMMMGPOBSA-N	240.311	-0.644	50	10	BBGE	
CO[C@H](CCS(C)(=O)=O)[C@@H](O)C#N	1951361459	SPQFGHOFQYRXGX-NKWVEPMBSA-N	207.251	-0.679	50	10	BBGE	
C[C@H](O)[C@H](CO)NC(=O)CBr	1953338195	KBVNAKKONDPUKO-WHFBIAKZSA-N	226.070	-0.761	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@](C)(O)CCO	1954724816	JHICCEJRQUKDPK-POYBYMJQSA-N	209.673	-0.137	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC([C@H](F)CO)C1	1957731873	YCCZVTMBRWJDPR-HTRCEHHLSA-N	219.260	-0.983	50	10	BBGE	
CN(C[C@]12COC[C@H]1C2(F)F)C(=O)NN	1959160128	CQGYANQFLBCTBY-VDTYLAMSSA-N	221.207	-0.217	50	10	BBGE	
NNC(=O)CN(C[C@H]1CCOC1)C1CC1	1961264189	QUZFIFWUFCJHMZ-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
C[C@H]1C[C@H](OCC(F)(F)C(=O)NN)CO1	1961629906	ULVJQVXYHVPJEW-WDSKDSINSA-N	224.207	-0.194	50	10	BBGE	
CN(CCCF)c1ncccc1B(O)O	1961693976	HKWVIBUVSPCLTF-UHFFFAOYSA-N	212.033	-0.443	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC)C[C@H]1C	1977147238	KLNLUXYNRJDNOA-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
NNC(=O)C(=O)N1CCCc2cnccc21	1981054285	VDNZPBKVWPWJCM-UHFFFAOYSA-N	220.232	-0.649	50	10	BBGE	
CON(CC(C)C)c1ncc(B(O)O)cn1	1981408799	FLOZNKSSUCPGFI-UHFFFAOYSA-N	225.057	-0.820	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOC[C@@H]1C(=O)O	1982967918	BKYJEGCZGNOIRJ-BQBZGAKWSA-N	231.252	-0.748	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](O)(C(C)(C)C)C1	1983788285	LWVDGDNHZCZEGO-KCJUWKMLSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1OCC[C@@H]1F	1984338516	VIDXRNUCOZIQRZ-VGMNWLOBSA-N	233.287	-0.186	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@H]2CCC[C@@H]2C1	1986161934	JXGOAJBCDSGNAF-RKDXNWHRSA-N	225.292	-0.081	50	10	BBGE	
CO[C@H]1C[C@@H](CC(=O)NCC=CB(O)O)C1	1991327073	MYHQKBUITMWNPZ-DTORHVGOSA-N	227.069	-0.514	50	10	BBGE	
CN(Cc1nnnn1C)C(=O)C=CC(=O)Cl	1991650390	BTISZMMFSWXLFG-UHFFFAOYSA-N	243.654	-0.510	50	10	BBGE	
C=C(CN=[S@@](C)(=O)c1cnn(C)c1)B(O)O	1992160305	VQFCPRNKBOLUBY-INIZCTEOSA-N	243.097	-0.555	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(=O)N2CCC[C@H]2C1	1996427000	LMBYSTPFTICLRL-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H]1C[C@H](O)CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1997252993	AKSZNXYSLCUALW-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@@H](CB(O)O)C(=O)O)C1CCCCC1	1998131533	WCXUCIUZKAEVBC-QMMMGPOBSA-N	243.068	-0.391	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN([C@H](C)CCC(=O)NN)C1	2000968039	RIVFWEIWXLLVDI-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)CC1(F)F	2004919032	TWPSZOUBZKWVSR-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1ncnc(N2CCC[C@H]3C[C@H]32)c1B(O)O	2004972057	ZRYQFKKJMBBQBG-DTWKUNHWSA-N	233.080	-0.546	50	10	BBGE	
CC(C)CC1(O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	2014744685	KFADEBWCVASIIV-UWVGGRQHSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)C[C@H]1C	2014926805	SBMFPYIBVNQBTL-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(CC2(C(=O)NN)CC2)C1	2016013703	OJYCWDJCWDIELB-IUCAKERBSA-N	245.298	-0.185	50	10	BBGE	
C=C(Cn1ncc(C(F)(F)F)cc1=O)B(O)O	2021159695	XMMIPOJHAUKGPW-UHFFFAOYSA-N	247.969	-0.170	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@H]1C1CCOCC1	2022474587	LWHMYNFWWKYVOS-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
CN1CCN(c2ccc(B(O)O)cn2)[C@H]2CC[C@H]21	2052472187	KFDICFKGHRYEFF-MNOVXSKESA-N	247.107	-0.956	50	10	BBGE	
Cc1ccnc(N2CC[C@]23CCOC3)c1B(O)O	2052473583	UIKKEZMIUCCOSS-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
O=c1c(B(O)O)cccn1Cc1ccncc1F	2058157141	YWISUSUWCGRHFY-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CCc1c(B(O)O)ccc([N+](=O)[O-])c1F	2060084556	WOLIAVQRVBFZPC-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
CCOc1ccc(B(O)O)c(F)c1C=O	2060113585	OSLRGSFCQFDWPM-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCc1c(B(O)O)ccc(OC)c1C#N	2060265911	SXJBWUHUBAXUKH-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
Cc1nc(OC2CC3(COC3)C2)ccc1B(O)O	2061753922	PUSFSSGGVQERPD-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
NNC(=O)[C@]12CO[C@](Cn3ccccc3=O)(C1)C2	2082601752	IXJPZVTWIYYRGZ-HAQNSBGRSA-N	249.270	-0.613	50	10	BBGE	
OB(O)c1cscc1Cn1ccnc1	2209704018	YRGPZOLKANGMKX-UHFFFAOYSA-N	208.051	-0.327	50	10	BBGE	
CCN(CCCC(=O)NN)[C@@H]1CCC[C@@H]1O	2210162908	CFTWZWJTQMKRRH-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
Cn1cc([C@@H]2C(=O)NC(=O)[C@@H]2Cl)ccc1=O	2210237098	YQFPMQYKXXRSKJ-JGVFFNPUSA-N	240.646	-0.267	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](N(C)C)C(C)(C)C1	2211494087	YXAJELMPKBWZTK-DTWKUNHWSA-N	228.340	-0.363	50	10	BBGE	
O=C(NCB(O)O)C1C[C@H]2CSC[C@H](C1)C2	2211683880	WTDOFCRFSDFPFL-YUMQZZPRSA-N	243.137	-0.106	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1Cl)N1CCC1	2211727996	ZNPSNPYHOZJWCV-UHFFFAOYSA-N	239.467	-0.134	50	10	BBGE	
OB(O)c1cccnc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212289361	OUFVWCOZTDQBCV-BRPSZJMVSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H](CCO)Sc1nccc(B(O)O)c1F	2212600896	ZLCOZFDPQBBAKK-LURJTMIESA-N	245.084	-0.237	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H]1C[C@]2(C)O)C(=O)NN	2213357772	ZEDAXMZEAPRMJY-PTRXPTGYSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H]1C[C@@H]2O	2215777412	SLSVSPUBZHJCET-NZFPMDFQSA-N	239.319	-0.542	50	10	BBGE	
CN(CC1(C(=O)NN)CCC1)[C@@H]1CCC[C@H]1O	2216490391	DCPPICQVVDSEJA-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3OCC[C@@H]3C2)CCC1	2216527929	JGBRMVYNTMSZPD-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3COC[C@H]32)CCCC1	2216881843	QBTJYWARXDPZFP-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
C[C@H]1CC[C@@H](CNc2ccc(B(O)O)cn2)O1	2217174482	ZROAXUCVOWGNDZ-WPRPVWTQSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](CNc1cc(B(O)O)ccn1)OC(F)F	2217175943	POAFYXGBAKXDTR-ZCFIWIBFSA-N	246.022	-0.199	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1cc(B(O)O)c(C)cn1	2217179093	GGHJNWAGHVHFRC-DTWKUNHWSA-N	238.096	-0.095	50	10	BBGE	
CN1CC[C@@H]1CNc1nccc(B(O)O)c1F	2217185314	VIWQJFZUBVZYMQ-SSDOTTSWSA-N	239.059	-0.984	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H](O)C1CC1	2217203400	UNCRENTYOKMKJW-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1ccnc(NCC2[C@@H]3COC[C@@H]23)c1	2217203845	AYCQTZCVWZNKRU-UWVGGRQHSA-N	234.064	-0.934	50	10	BBGE	
CCN(C[C@@H]1CCCN1)c1ccc(B(O)O)cn1	2223631845	BKJXLERVSKNDOF-NSHDSACASA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2CCC[C@H]3C[C@@H]32)[nH]c1	2223637329	PNHBACSVGQCMFC-QXEWZRGKSA-N	247.107	-0.574	50	10	BBGE	
Cc1cnc(N2CCN(C)C[C@@H]2C)cc1B(O)O	2223640163	JMEWTWQKJDJTEV-JTQLQIEISA-N	249.123	-0.790	50	10	BBGE	
Cc1[nH]nc(CNc2ncccc2B(O)O)c1C	2223650744	QIIQHHFEOCLSRH-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
C=CCN1CCN(c2ccc(B(O)O)cn2)CC1	2223651119	AMFYISNXBHEVHY-UHFFFAOYSA-N	247.107	-0.931	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CC2(CC2)CN1	2223673042	VZRWOFIEUOCKBH-VIFPVBQESA-N	247.107	-0.685	50	10	BBGE	
N[C@@H]1CCCCC[C@H]1Nc1cc(B(O)O)ccn1	2223675955	UUKWXEIPRXMRFQ-GHMZBOCLSA-N	249.123	-0.167	50	10	BBGE	
CSCCNC(=O)[C@H]1C[C@H](B(O)O)C1	2241475292	VJXHVJIFRJYEOR-LJGSYFOKSA-N	217.099	-0.281	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)C1CC(B(O)O)C1	2241495158	HDRFACKLTBDGEW-TVVDDFTJSA-N	201.006	-0.534	50	10	BBGE	
CCc1csc(CNC(=O)C#CB(O)O)n1	2243357147	SBMGGWGRPMNXLQ-UHFFFAOYSA-N	238.077	-0.663	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1ccoc1B(O)O	2243362748	VZZDSXWOJGNLDY-XPUUQOCRSA-N	223.037	-0.560	50	10	BBGE	
COC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243363403	GIMJVUBKCKJCCB-MRVPVSSYSA-N	227.069	-0.512	50	10	BBGE	
O=C(NC[C@@H](CO)C1CC1)C1(B(O)O)CC1	2243365603	OUUSQWXEQCEWLF-QMMMGPOBSA-N	227.069	-0.872	50	10	BBGE	
O=C(N1CC[C@H]2C[C@]2(F)C1)C1(B(O)O)CC1	2243369319	RSTFYIZMXPBDJE-XVKPBYJWSA-N	227.044	-0.046	50	10	BBGE	
C=CC[C@@H](CO)NC(=O)C1CC(B(O)O)C1	2243382726	RBUOFMKVKBWVLH-HACHORDNSA-N	227.069	-0.707	50	10	BBGE	
C[C@@H]1OCC[C@H]1NC(=O)C1CC(B(O)O)C1	2243390993	FCFGJEFNWRDOLM-DFAZKQQPSA-N	227.069	-0.467	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243390994	FCFGJEFNWRDOLM-FNCVBFRFSA-N	227.069	-0.467	50	10	BBGE	
CC(C)(F)[C@@](C)(F)CNC(=O)C#CB(O)O	2243400813	IBNAVYBMUNYROZ-VIFPVBQESA-N	233.023	-0.406	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]1CF	2243411417	SQLCTQPVKPZDKW-LURJTMIESA-N	227.000	-0.857	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C(=O)C1(B(O)O)CC1	2243411575	WLTRTTTUYZTRHM-MRVPVSSYSA-N	229.085	-0.389	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CCC1(C)C)B(O)O	2243411801	AJXHWUQYDIGELZ-MRVPVSSYSA-N	247.125	-0.337	50	10	BBGE	
C=CCN(C)C(=O)c1cc(C)c(B(O)O)o1	2243413164	AKSFHPRFHDDFOQ-UHFFFAOYSA-N	223.037	-0.474	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243414992	MBEZODUWMOHUFK-BGZDPUMWSA-N	227.069	-0.779	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2243427031	PEZOFVFHMLWKJP-RERUZZKTSA-N	221.065	-0.284	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243427131	QWJXSFHKNQNBNW-IBCQBUCCSA-N	227.069	-0.467	50	10	BBGE	
CN(CCCF)C(=O)c1cocc1B(O)O	2244212055	LKXFDTLQZQQPIO-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
NC(=S)NNC(=O)[C@@]12CC[C@@](CF)(C1)OC2	2245521317	QWEQUSGYXMDTNM-IUCAKERBSA-N	247.295	-0.240	50	10	BBGE	
CCc1cccnc1CNC(=O)C#CB(O)O	2247739783	BKHMVIPQRIPXDY-UHFFFAOYSA-N	232.048	-0.724	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC[C@@H](CF)C1	2247740302	IPBXBXNYJXFJPZ-ZETCQYMHSA-N	241.027	-0.609	50	10	BBGE	
C#CCN(CCC)C(=O)c1ccoc1B(O)O	2247741421	ZJQLFDOEMURHBK-UHFFFAOYSA-N	235.048	-0.555	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1cc(B(O)O)c[nH]1	2247744932	ZQPTZSDDMRZWJV-SSDOTTSWSA-N	235.052	-0.883	50	10	BBGE	
CN[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)CC1	2247750486	KFRGJNHUQYGRLE-DTORHVGOSA-N	240.112	-0.360	50	10	BBGE	
C[C@@H]1C[C@H](N)CN(C(=O)C2(B(O)O)CCC2)C1	2247753608	BFSCMTCNUVIUID-BDAKNGLRSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC1CCC1)c1ncc(B(O)O)cc1F	2247759225	ZWONWGIDFVHQSD-UHFFFAOYSA-N	238.027	-0.817	50	10	BBGE	
CCCONC(=O)c1ccc(B(O)O)c(F)c1	2247760509	JDEPBOKTRLKMFM-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
CCN(C(=O)c1n[nH]cc1B(O)O)C1CCC1	2247785261	IIBKVNICEIBTAY-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
Cc1nc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)co1	2247793850	ZWDOOKDSYRQMQT-IUCAKERBSA-N	238.052	-0.495	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC[C@H]1CF	2247796779	CSTCXZYHINZFFT-AMDVSUOASA-N	245.059	-0.564	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1CC[C@H]2C[C@H]2CC1	2247847443	XHFGPPKKFQTNRC-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
Cc1ccn(NC(=O)c2ccoc2B(O)O)c1	2247847467	XPDUUZUGVKMXAU-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
COCC1(CNC(=O)C2(B(O)O)CCC2)CC1	2247853546	NRNUJABMXMQEND-UHFFFAOYSA-N	241.096	-0.074	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1ccncc1B(O)O	2247873864	MXDGDHVXGNOOAR-QMMMGPOBSA-N	234.064	-0.592	50	10	BBGE	
O=C(N1CCC[C@@H](O)CC1)C1(B(O)O)CCC1	2247877138	CHPUXFIVKZRBBK-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@@H]12)C1(B(O)O)CC1	2247878279	IZJKVUDVVYESOG-IWSPIJDZSA-N	238.096	-0.750	50	10	BBGE	
O=C(N[C@H]1CCN(C2CC2)C1)C1(B(O)O)CC1	2247878661	MCAPFZMAIGTBSU-QMMMGPOBSA-N	238.096	-0.654	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247886675	FDYRURUIMKMDRU-JBDRJPRFSA-N	245.059	-0.565	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H]1CC(O)C2	2247894672	JNYCOZASJJRVPX-AKEJEFCPSA-N	239.080	-0.636	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCN(C2CC2)CC1	2247895284	QVCKLJKUZJLABK-VHSXEESVSA-N	238.096	-0.844	50	10	BBGE	
CC(C)O[C@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247898386	CZKKXJYYNBIUOR-GUBZILKMSA-N	241.096	-0.125	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H](C)N1	2247909551	KMPIJHRAMSXILA-DKEVHCRPSA-N	240.112	-0.552	50	10	BBGE	
CC#CCNC(=O)Nc1ccccc1B(O)O	2247972858	IBJJDWPUKSWWCU-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
CCc1noc(C)c1C(=O)NCC=CB(O)O	2248394803	CJMMTDBXHXUANB-UHFFFAOYSA-N	238.052	-0.157	50	10	BBGE	
C[C@@H](CC(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248575113	FHIWMXPRFZWJTE-ZETCQYMHSA-N	243.068	-0.295	50	10	BBGE	
CC[C@](C)(NC(=O)C1CC(B(O)O)C1)C(=O)O	2248577429	MUDRNMVBGARSEV-QIMWKCOFSA-N	243.068	-0.391	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@@]12CC2(F)F	2250005453	XZWOVPRFHYWCEJ-IONNQARKSA-N	243.018	-0.447	50	10	BBGE	
CC1CN(C(=O)NCc2cccc(B(O)O)c2)C1	2254055055	YYUIKINFGLEQCY-UHFFFAOYSA-N	248.091	-0.472	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC(C3CC3)C2)n1	2254577233	JFGQYNHINWGOJW-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
COC(=O)c1ccccc1NC(=O)C#CB(O)O	2255470063	XVJIPJYYIGZECE-UHFFFAOYSA-N	247.015	-0.573	50	10	BBGE	
C=CCN(CC=C)C(=O)c1cncc(B(O)O)c1	2255522615	MGHKHTNJNADFRF-UHFFFAOYSA-N	246.075	-0.424	50	10	BBGE	
CC1=CCCN(C(=O)c2ccc(B(O)O)cn2)C1	2255716787	FRXRYWSWCPFCFR-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(NC1CCC=CCC1)c1c[nH]nc1B(O)O	2255788905	XYJPROUBAFBALU-UHFFFAOYSA-N	249.079	-0.682	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ncc(B(O)O)cc1C	2257486039	DKPIWLSHCORFNC-VIFPVBQESA-N	248.091	-0.236	50	10	BBGE	
Cc1ccc(NC(=O)c2cc(B(O)O)co2)cn1	2258128349	OVLYHOIOCXFSSW-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@@H]2CCC[C@H]2C1	2258137602	YTAOZKWKMHNZEB-IUCAKERBSA-N	249.075	-0.169	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CC[C@H]2O3)nc1	2298224627	UCMPKLJVIBYPQW-LPEHRKFASA-N	234.064	-0.507	50	10	BBGE	
CC1(C)[C@@H](CN)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369664	BABLEBQNRLGXAT-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
CN(C)[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298369930	JJPLDXGLOGZLGF-IMSYWVGJSA-N	240.112	-0.552	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)[C@@H]1C[C@H]1B(O)O	2298370768	LHRHTOXNNWWPFB-UVMAFCGOSA-N	237.064	-0.223	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1C(=O)O	2298462690	BAEHSUDMQOCRAI-LXGUWJNJSA-N	241.052	-0.972	50	10	BBGE	
CN1CC(COC[C@H]2CC[C@@H](C(=O)NN)O2)C1	2299036262	WQTYMIMUHQBKMD-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
C[C@H]1CCC[C@H](COCCOCC(=O)NN)O1	2301070901	HTNFJALPHOEZCN-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
CC[C@H](O)C(=O)Nc1cc(B(O)O)ccc1C	2301585530	KKPKRFFBNBLSPH-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2301841194	UACGUJMWTQBRTJ-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
Cc1n[nH]cc1C(=O)N1CC[C@@](C)(B(O)O)C1	2303107590	YWMNEQXHRWTJOG-SNVBAGLBSA-N	237.068	-0.203	50	10	BBGE	
CC(C)N(C)C[C@H](O)CN1CC[C@H](B(O)O)C1	2303131238	AHSFOCHNTCNTPH-QWRGUYRKSA-N	244.144	-0.764	50	10	BBGE	
CC[C@@](C)(CN1CCOC[C@H]1CO)C(=O)NN	2303420093	OOGSCWAQKMXNCX-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
CC[C@@](C)(CN1CC[C@H]2[C@@H]1C[C@H]2O)C(=O)NN	2303426671	QFTDEKDOCHKWEG-GUDRVLHUSA-N	241.335	-0.152	50	10	BBGE	
CNC(C)(C)CNc1cc(B(O)O)c(F)cn1	2303835504	XWRFGKZTBLSIQQ-UHFFFAOYSA-N	241.075	-0.690	50	10	BBGE	
COCCCCOc1cc(B(O)O)c(F)cn1	2303850730	VZXKAEDRZPSEGQ-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
COC[C@@]1(CO)C=CCN1CCCC(=O)NN	2306855958	DITXUBAAGBIERS-NSHDSACASA-N	243.307	-0.994	50	10	BBGE	
CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ncc(B(O)O)cn1	2309538426	XDPCPWXUMQJSJH-KKZNHRDASA-N	247.107	-0.361	50	10	BBGE	
CC(C)(C)NC(=O)C(C#N)=CNCC(=O)O	2324756510	BGAYSXCSFHTQMJ-UHFFFAOYSA-N	225.248	-0.017	50	10	BBGE	
CC(=O)NCCNC(=O)NC(=O)[C@@H](C)Cl	36746640	XVEWCTNNVUCRSB-RXMQYKEDSA-N	235.671	-0.424	50	10	BBGE	
CC(=O)NCCC(=O)NNC(=O)c1ccccc1	45051770	GIEZODLIVMTQNU-UHFFFAOYSA-N	249.270	-0.026	50	10	BBGE	
CC1(C)[C@@H]2CC[C@@]1(C(N)=O)C(=O)OC2=O	59600192	LDOJEYJKQSTIMH-GPXNAGAYSA-N	211.217	-0.022	50	10	BBGE	
CN1CCc2nc(C(=O)NN)sc2C1	75848542	NTVKFTPYYGYAIS-UHFFFAOYSA-N	212.278	-0.266	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H](N)C1	82470167	WNIQIFUOWUSIAG-QMMMGPOBSA-N	200.286	-0.820	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC(=O)NC(=O)C1(C)C	85088515	DYDUQFQTPXSLML-RXMQYKEDSA-N	232.667	-0.123	50	10	BBGE	
C[C@H](CO)CSC[C@H]1CC[C@H](C(=O)NN)O1	85140661	HWQBEZFNXKRNRG-IWSPIJDZSA-N	248.348	-0.115	50	10	BBGE	
C[C@H](SC[C@H](O)CO)[C@H](C)C(=O)NN	86661919	FFAFLHMBJVIAKA-LYFYHCNISA-N	222.310	-0.913	50	10	BBGE	
CCCN(CC(=O)NC)[C@@H](C)[C@@H](C)C(=O)NN	93072145	YTXXCSHJPJJNIM-BDAKNGLRSA-N	244.339	-0.541	50	10	BBGE	
CC(C)OCCOC[C@@H]1CC[C@H](C(=O)NN)O1	104105758	PLFPZPYZCAADLP-VHSXEESVSA-N	246.307	-0.035	50	10	BBGE	
NNC(=O)c1cn(CCOc2ccccc2)nn1	104114838	VMWFQHRQXFUUOD-UHFFFAOYSA-N	247.258	-0.039	50	10	BBGE	
Cn1c([C@@H]2CCCN2)nnc1[C@](C)(O)C#N	106366063	RZPWESDCLBMIPT-OIBJUYFYSA-N	221.264	-0.029	50	10	BBGE	
O=S(=O)(CCCCl)NN1CCOCC1	149829436	KKOQOQMOOIVAKZ-UHFFFAOYSA-N	242.728	-0.218	50	10	BBGE	
O=C(CNC1CC1)NNC(=O)C(F)(F)F	182107066	XRYGMWCVVOXNSJ-UHFFFAOYSA-N	225.170	-0.552	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NC1CC1	203559046	CRDGQMHVPOLLDL-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
N#C[C@H]1CN(C[C@@H](O)CCl)CCO1	225641702	QALZDMSEUMJYIA-YUMQZZPRSA-N	204.657	-0.190	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CCC[C@@H]2C1	232420619	MKLANPPCEAVCLA-OPRDCNLKSA-N	227.308	-0.277	50	10	BBGE	
CCc1cnc(C(=O)OC)cc1B(O)O	238322076	LYPZKFBCTVROLE-UHFFFAOYSA-N	209.010	-0.890	50	10	BBGE	
OB(O)c1cnccc1[C@H]1CCCNC1	238637839	OAQHJRWRXYJZOH-QMMMGPOBSA-N	206.054	-0.772	50	10	BBGE	
CN1CCN(C2=NC=C(C#N)S2(=O)=O)CC1	260266401	ZICYSFCXJORSSX-UHFFFAOYSA-N	240.288	-0.617	50	10	BBGE	
Cn1cc(CN[C@H]2COC[C@H]2Cl)nn1	306503570	WLPVUCGJVSCYCK-SFYZADRCSA-N	216.672	-0.089	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@]2(CCN(C)C2)C1	310517753	MVRHAMNFKGEKIX-ZYHUDNBSSA-N	240.351	-0.218	50	10	BBGE	
N#Cc1cnn(Cc2csc(C(=O)NN)n2)c1	379846464	FOXZMAAXTCVFKA-UHFFFAOYSA-N	248.271	-0.137	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(C2CC2)n1	381572056	WHOGANXOMWXAMK-UHFFFAOYSA-N	221.021	-0.575	50	10	BBGE	
CCOC1CN(Cc2cc(C(=O)NN)no2)C1	383038524	KIBWUOSYBBEXLA-UHFFFAOYSA-N	240.263	-0.501	50	10	BBGE	
CCCC1(O)CN([C@H](C)C(=O)NN)C1	384130247	LEDMSZDMEHLOQF-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C(C)(C)C1	388143590	DYBVWOUMDDLRPC-YUMQZZPRSA-N	215.297	-0.542	50	10	BBGE	
CC[C@@H](CO)N(C)CCCC(=O)NN	393305166	XWGNWJSIHUJLCJ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
O=CCCc1cccc(/C=C/C(=O)O)c1B(O)O	396134483	UVGSLJYSXLRMLJ-VOTSOKGWSA-N	248.043	-0.404	50	10	BBGE	
N#Cc1cc2ccc(CO)c(B(O)O)c2s1	396225290	QDOMXPJMRIZERE-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC1(CO)CCN(CC(=O)NN)CC1	402809241	TVQRRMUHZKGYEE-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
Cc1cc(CN(C)CC(=O)NN)sn1	404457129	WUCKUPVACQPMQI-UHFFFAOYSA-N	214.294	-0.127	50	10	BBGE	
OCc1c(S)ccc(F)c1B(O)O	575705540	JTFIQWPEGPDNBB-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
Cc1c[nH]nc1CN1CC[C@@H](B(O)O)C1	585074680	BLZWKCCBRJOTQS-MRVPVSSYSA-N	209.058	-0.233	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)C[C@H](C)O1	689142818	FAJDRDGALOPNEJ-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CN(C)C[C@H](O)CN(C)C[C@@H](Cl)C#N	690292857	HETURLRZZZJBKQ-IUCAKERBSA-N	219.716	-0.028	50	10	BBGE	
C[C@](N)(C(=O)N1CCC(O)(C#N)CC1)C1CC1	692125491	UBYUKCAAPJITOU-LLVKDONJSA-N	237.303	-0.009	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1C[C@@H]2C[C@@H]2C1	702426882	PPIZRDXYSJWBBI-BRPSZJMVSA-N	246.075	-0.254	50	10	BBGE	
C[C@H](CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703422845	TYAGKKSITKYHAF-FXQIFTODSA-N	213.233	-0.469	50	10	BBGE	
CNNC(=O)[C@@H]1CCCCS1(=O)=O	704644433	KOXIOIGBTAPZKE-LURJTMIESA-N	206.267	-0.796	50	10	BBGE	
CNNC(=O)c1ccc(-n2cnnn2)cc1	704654851	KCQAWXWLRRLFPB-UHFFFAOYSA-N	218.220	-0.474	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(OC(C)(C)C)C1	707278789	MZXZIVXQKUERST-SSDOTTSWSA-N	215.297	-0.136	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](O)C1CC1	708545380	NWDHEFWKUQPLKT-IUCAKERBSA-N	215.297	-0.542	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C[C@@H](C)O)C1CC1	709378178	POIIAZSNCCUXAH-PSASIEDQSA-N	229.324	-0.154	50	10	BBGE	
ClCc1cnnn1CCn1cnnn1	712547801	XSYMGSWNRZBBQU-UHFFFAOYSA-N	213.632	-0.296	50	10	BBGE	
CON(C)C1CN(S(=O)(=O)CCl)C1	725689132	HZDNEGHRFFKZPJ-UHFFFAOYSA-N	228.701	-0.310	50	10	BBGE	
COC[C@H](C)C=NNC(=O)CN1CCCC1=O	755885128	CYEQEJNTPICVLP-SECBINFHSA-N	241.291	-0.007	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)C(=O)NC(C)C	864601819	XJOTVRUWFDOQJG-FNORWQNLSA-N	245.254	-0.078	50	10	BBGE	
CCc1nc[nH]c1C(=O)NN(C)C[C@H](C)O	910139587	BIHZXEWGDNSQKB-ZETCQYMHSA-N	226.280	-0.071	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)c1cn[nH]c1	1131740940	PHTHGNWGBKFUJO-UHFFFAOYSA-N	248.246	-0.474	50	10	BBGE	
C[C@@H](C#N)CNC(=O)NNC(=O)c1ncon1	1312480070	MAIGUZRHKUKFFS-YFKPBYRVSA-N	238.207	-0.827	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)/C=C\Cn1cncn1	1339538970	IRPGNAZHIVVIOC-ZBJFTSOASA-N	239.279	-0.822	50	10	BBGE	
COCCN(C)NC(=O)CCc1cnc[nH]1	1568942036	FZVZZPUXWKBFCE-UHFFFAOYSA-N	226.280	-0.048	50	10	BBGE	
C=C[C@@H](O)C(=O)NNC(=O)c1cccc(C)n1	1635616982	VNETWOOYNCOUDK-SECBINFHSA-N	235.243	-0.302	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	1648686995	YVCOYKNIKODVLS-BIIVOSGPSA-N	212.249	-0.438	50	10	BBGE	
NC(=S)NNC(=O)c1nnc(Cl)s1	1882496356	ULFSVDKTXRUDDA-UHFFFAOYSA-N	237.697	-0.331	50	10	BBGE	
NCC[C@H](O)C(=O)NC[C@@H]1C[C@H]1Cl	1883552513	NCBYODLQCBWPIY-XVMARJQXSA-N	206.673	-0.560	50	10	BBGE	
CNC1CN(C(=O)C=CC(=O)Cl)C1	1883626532	HWHFBGBTERNCBM-UHFFFAOYSA-N	202.641	-0.262	50	10	BBGE	
C[C@@H](NC(N)=O)c1cc(B(O)O)cs1	1884964293	ACOUDUKBHDECRT-SCSAIBSYSA-N	214.055	-0.843	50	10	BBGE	
O=S(=O)(CCCCl)NCC[C@H](O)CO	1885778004	QOPCTJQPKKVGMZ-ZETCQYMHSA-N	245.728	-0.722	50	10	BBGE	
C[C@@H](CC(=O)NN)O[C@H]1C=CCOC1	1888055202	RLTLMICKKDEZLV-YUMQZZPRSA-N	200.238	-0.274	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2C[C@@H]21	1899252741	ZOSPDXUACLGNKA-MUWHJKNJSA-N	222.028	-0.501	50	10	BBGE	
C[C@H]1CCC[C@H](C(=O)NN(C)S(C)(=O)=O)N1	1901375436	LTVIRLPFOKNICE-JGVFFNPUSA-N	249.336	-0.560	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CC(F)(F)CC1=O	1906336186	FIKVUQDHLXEIJI-YFKPBYRVSA-N	249.217	-0.461	50	10	BBGE	
C[C@@H]1CCO[C@@H]1COc1ccc(B(O)O)cn1	1907077063	NXRUEYYALBEUIS-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
C[C@]12C[C@@H]1CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C2	1908719933	VQJYBCBWSDQTEF-DTHBNOIPSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)c1cn(CCOC2CC=CC2)nn1	1913342542	VZMALEUBUCUDBP-UHFFFAOYSA-N	237.263	-0.383	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CCC1	1914998420	OZQQQBWSOJFFEQ-SSDOTTSWSA-N	201.270	-0.788	50	10	BBGE	
N#CC[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1915019749	WNIVINSDTTVUQJ-UTLUCORTSA-N	222.292	-0.152	50	10	BBGE	
COCC1CCC(NC(=O)C(=O)NN)CC1	1918634902	WQUVRMLRBPWWBC-UHFFFAOYSA-N	229.280	-0.702	50	10	BBGE	
COC(=O)C(=O)NNC(=O)OC(C)(C)C	1923403207	VDWXWKZILWAVPS-UHFFFAOYSA-N	218.209	-0.285	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)c1n[nH]c(O)n1	1923415224	IPWAUZSMVLONIP-UHFFFAOYSA-N	243.223	-0.320	50	10	BBGE	
CCN(CCOCC(=O)NN)CC(C)C	1928182962	KZPXEYNQYVPLQI-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CC(C)[C@@H](CO)SCCOCC(=O)NN	1928316879	JBNGGTGFKVDTKO-MRVPVSSYSA-N	236.337	-0.257	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CSC2)C1	1928605576	LVFNACWCXCJAET-ZCFIWIBFSA-N	201.295	-0.586	50	10	BBGE	
CN1C[C@H](NS(C)(=O)=O)[C@H](Cl)C1	1928752066	ZDIOYSOPDLRSNX-RITPCOANSA-N	212.702	-0.543	50	10	BBGE	
O=C1CCN1S(=O)(=O)CBr	1928993026	XSCPJJZJAJVISG-UHFFFAOYSA-N	228.067	-0.099	50	10	BBGE	
O=C(O)CCCCC(=O)NNCCO	1929835120	MUPHCJMUAIEBEA-UHFFFAOYSA-N	204.226	-0.756	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)C1CS(=O)(=O)C1	1932006732	GEXAXVPMRFKOLF-YFKPBYRVSA-N	225.697	-0.131	50	10	BBGE	
Cn1nnc(CNC[C@@H]2COC[C@@H]2Cl)n1	1933392961	SKIDJFRDPBCLGQ-RQJHMYQMSA-N	231.687	-0.447	50	10	BBGE	
O=C(Cn1cnnn1)NCC1CC(Cl)C1	1933450375	BUOZRWMHTORPKE-UHFFFAOYSA-N	229.671	-0.193	50	10	BBGE	
NC(=S)NNC(=O)Cc1ccc(O)c(O)c1	1935727447	KRDFFGPLBVPWJJ-UHFFFAOYSA-N	241.272	-0.495	50	10	BBGE	
NNC(=O)C(F)(F)Cn1ccc([N+](=O)[O-])n1	1935940561	DFAPYYWKGAYKLZ-UHFFFAOYSA-N	235.150	-0.584	50	10	BBGE	
CN(C[C@H](O)C1CC1)C[C@@H]1C[C@H]1C(=O)NN	1936087802	GUGWEVZUPQKNEL-AEJSXWLSSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)COCCN1CC2CCC1CC2	1936525652	HDVWOKFFTNJQDW-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCCOC1	1936534091	NCVSEKWMRBDACX-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
O=C(CCn1ccnn1)N[C@H]1COC[C@H]1Cl	1937144211	CKQNMOGVOKHQRB-SFYZADRCSA-N	244.682	-0.209	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)Cn2cccn2)C1	1937195058	WZEWIIANWGZCHP-DTWKUNHWSA-N	242.710	-0.079	50	10	BBGE	
O=C1NC(=O)[C@H](CCCNC(=O)OCCl)N1	1937753214	QRGVWLFUSFHECX-YFKPBYRVSA-N	249.654	-0.103	50	10	BBGE	
CCCn1nccc1CN(C)CC(=O)NN	1937926922	OLIRFQLMWCDOGJ-UHFFFAOYSA-N	225.296	-0.285	50	10	BBGE	
COC[C@H](N)CC(=O)N1CCC(O)(C#N)CC1	1944278005	CJTOPMHKGISOKT-SECBINFHSA-N	241.291	-0.773	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1944324214	PVWDXWDZDQAFSL-UKKRHICBSA-N	241.335	-0.031	50	10	BBGE	
COC(=O)c1cc([C@H](N)[C@H](O)C#N)n(C)n1	1953031717	RFJPGEZKAFMEQA-SFYZADRCSA-N	224.220	-0.909	50	10	BBGE	
CC(C)NC(=O)C1CN(C(=O)NN)C1	1956555112	AJDOZUMAYMINIE-UHFFFAOYSA-N	200.242	-0.974	50	10	BBGE	
O=C(CCl)NC(=O)N1CCO[C@H]2C[C@H]21	1956876388	PYVKIDMSLLKOJG-RITPCOANSA-N	218.640	-0.066	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1ncns1	1956927193	YPQLSMUAIHKGTG-YFKPBYRVSA-N	215.282	-0.999	50	10	BBGE	
CN(CC(F)F)c1nc(B(O)O)cs1	1956966371	UIAJBUAVLHJQKE-UHFFFAOYSA-N	222.025	-0.476	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC[C@@H]2[C@H]1C2(F)F	1958117675	SPFDBHQPCRAPRH-JKUQZMGJSA-N	218.996	-0.594	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2C=C[C@H]1C2)C(=O)NN	1958753834	OTZLTAYUJDOHDR-FXQIFTODSA-N	209.249	-0.601	50	10	BBGE	
C[C@@]1(C(=O)NCB(O)O)CCCC1(F)F	1960754308	NWZXAWZDWFTKQP-ZETCQYMHSA-N	221.012	-0.060	50	10	BBGE	
Cc1ncnc(O[C@@H]2C[C@H]2C)c1B(O)O	1961687026	IMNAYXADTBAYIT-IYSWYEEDSA-N	208.026	-0.748	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(C)C)n1	1961695758	IQZJDUMIIFOZEC-UHFFFAOYSA-N	210.042	-0.500	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CCOC[C@H]1C(=O)NC	1976905576	XBVCLWBYXPGLRY-YUMQZZPRSA-N	248.710	-0.023	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@H](CCO)C1	1979207293	XYFVWQIEWVPGEG-BBBLOLIVSA-N	227.308	-0.683	50	10	BBGE	
O=C1CN(C[C@H]2CC3(CC3)CO2)CC(=O)O1	1979388534	OSRNSVHDHBJIOV-MRVPVSSYSA-N	225.244	-0.059	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CC[C@@H]2C1	1981409613	PHLLFUBZNMMNHE-HTQZYQBOSA-N	219.053	-0.997	50	10	BBGE	
Cc1cc(N2C[C@H](C)[C@H]2C)ncc1B(O)O	1981470587	CBNJQMXBTGMBOV-DTWKUNHWSA-N	220.081	-0.086	50	10	BBGE	
COC[C@H]1CC[C@@H](NC(=O)C(=O)NN)CC1	1982433621	WQUVRMLRBPWWBC-OCAPTIKFSA-N	229.280	-0.702	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC=CC[C@H]1CO	1983178702	BHWIDOXNEKJDFF-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
NCc1cn(CC(=O)NC2CC(Cl)C2)nn1	1983216393	RWJPKDQKZZIMFO-UHFFFAOYSA-N	243.698	-0.377	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC[C@H](O)C1	1983950068	XCTGNGFKXLBRKI-BZNPZCIMSA-N	225.244	-0.184	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@@H](C)CCCl)C1	1985799459	RSXNPDHRKDJJFO-ZETCQYMHSA-N	249.694	-0.002	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@H](O)C[C@H]2C1	1986732596	SIGLRRNYOBTVHO-MYJAWHEDSA-N	227.308	-0.541	50	10	BBGE	
CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)C(=O)NN	1989052286	OWIUVOQESIUTCM-UUAUARBGSA-N	223.276	-0.663	50	10	BBGE	
C[C@@H](CN1CC(C)(C)OCC1=O)C(=O)NN	1990444286	MTNLZROIJIWEAF-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCN[C@H]2COC[C@@H]21	1991715713	YGUXPDQVLPWJHV-HIQWKFPQSA-N	244.678	-0.493	50	10	BBGE	
C=C(CN1CCC[C@H](N2CCC2)C1)B(O)O	1992146093	QFCATHFHCJTDTB-NSHDSACASA-N	224.113	-0.275	50	10	BBGE	
CCCN(CC)C1CN([C@@H](C)C(=O)NN)C1	1994902184	FIUPQTIQHUVROR-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C)NC(=O)Nc1ccc(B(O)O)cn1	1996648184	WNZJQWUUTXMHBB-ZETCQYMHSA-N	237.068	-0.319	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@H]1CN2CC[C@H]1C2	1996730429	BJEXAKLIFDSZME-VLEAKVRGSA-N	240.351	-0.363	50	10	BBGE	
CCC1(C(=O)N[C@@H](CB(O)O)C(=O)O)CCC1	1998126262	QTLYGYALOWHAHF-ZETCQYMHSA-N	243.068	-0.391	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C(=O)NCC)C1	2002652131	LKUOZKMFYIYSTK-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
CCCN([C@H]1CCCNC1=O)[C@H](C)C(=O)NN	2004314753	SQBMRJUOCILPCS-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)c1ccc(B(O)O)cn1	2004911270	FBBODNFVBIIHGM-SCZZXKLOSA-N	236.080	-0.768	50	10	BBGE	
Cc1ncnc(N(C)[C@H](C)C(C)C)c1B(O)O	2004973329	SQCWFHWBMSJEEI-SECBINFHSA-N	237.112	-0.054	50	10	BBGE	
COC1CC2(CCN(C(=O)C(=O)NN)CC2)C1	2012170798	RGVHLRRAJLUMRX-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@H]1CCC[C@H](C(=O)NN)O1	2018242095	BEJUMYCNBYSCIY-IWSPIJDZSA-N	241.291	-0.465	50	10	BBGE	
C=CC1(O)CN(Cc2cc(C(=O)NN)no2)C1	2018884481	WRDPTSPFHZRMBG-UHFFFAOYSA-N	238.247	-0.989	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cncnc1	2020057154	RWZRLDYBVPVXOK-SECBINFHSA-N	233.036	-0.693	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(B(O)O)cc1	2022196767	RJEBZBBUYHNAEP-UHFFFAOYSA-N	232.004	-0.971	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]1C1CC1	2022350861	DGLPQZHSQDSBNP-VHSXEESVSA-N	233.076	-0.426	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3CCO[C@H]3C2)cc1	2052032148	CSOXHTKCLYIBCZ-AAEUAGOBSA-N	247.103	-0.413	50	10	BBGE	
CCOc1c(F)ccc(B(O)O)c1C=O	2060111738	XCISEUGPRZUWIR-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
N#Cc1cc(B(O)O)c(F)cc1[N+](=O)[O-]	2060185884	ACJHDUQHWWKPGT-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
Cc1ccc(B(O)O)c(OC2CC3(COC3)C2)n1	2061753671	LZSYWCIQPXMIJP-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
OB(O)c1cc(F)cnc1-n1ccnc1C1CC1	2068334625	HITUXMLRGYMRBT-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
OB(O)c1cnc(OC[C@@H]2C[C@@H]2C2CCC2)nc1	2079937500	YOCKRPVXZRZMKE-GXSJLCMTSA-N	248.091	-0.029	50	10	BBGE	
Cc1cc(B(O)O)c(C)cc1NC(=O)C1COC1	2083460404	TVONQKBOMJDLKU-UHFFFAOYSA-N	249.075	-0.432	50	10	BBGE	
COC[C@@H](C)N(C)Cc1nscc1B(O)O	2211138769	ZQNAUPJUAWNCIM-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
O=C1COC[C@H]2CN(C[C@@H](O)CCl)CCN12	2211718255	PYRRKSZVSOHETP-BDAKNGLRSA-N	248.710	-0.871	50	10	BBGE	
CC(C)[C@@H](N)COc1ccc(B(O)O)cn1	2212602150	ZFPCUZMXHLEFCM-VIFPVBQESA-N	224.069	-0.877	50	10	BBGE	
CC[C@H](CCO)Nc1cc(B(O)O)ccn1	2212602423	DFZIBBOCSIXUIU-SECBINFHSA-N	224.069	-0.666	50	10	BBGE	
CCSC1CN(c2cc(B(O)O)ccn2)C1	2212613082	RJUBPXNRHMQYRI-UHFFFAOYSA-N	238.121	-0.297	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H](O)C[C@H](F)C1	2213889032	ISTOQJFZWNRYFP-XHNCKOQMSA-N	247.314	-0.204	50	10	BBGE	
Cc1cnc(N2CCC(O)CC2)cc1B(O)O	2217179124	GSCQDUJCUPOZTC-UHFFFAOYSA-N	236.080	-0.969	50	10	BBGE	
C[C@H]1CN(c2nccc(B(O)O)c2F)C[C@@H]1F	2217180300	GQCCHAGNPBKPJA-XPUUQOCRSA-N	242.034	-0.305	50	10	BBGE	
CC(C)(Oc1ccc(B(O)O)cn1)[C@@H]1CCN1	2217187350	WYXHEWBCERSWQG-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
CC(C)C[C@H](CN)Oc1cc(B(O)O)ccn1	2217189914	KEPRDVSCPHRWDP-SNVBAGLBSA-N	238.096	-0.486	50	10	BBGE	
C[C@@H]1C[C@H]1NCCOc1cc(B(O)O)ccn1	2217191676	DKRIVAPSOSRLNO-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
Cc1cnc(N2CC3(CCCO3)C2)cc1B(O)O	2223639265	BYAYWTRLBNHVGG-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
O=C(NCC1(F)CC1)[C@@H]1C[C@@H]1B(O)O	2241495537	KHISBVIDGGUGAX-RITPCOANSA-N	201.006	-0.532	50	10	BBGE	
CO[C@H](CCl)CN=c1nc[nH]n1C	2242440059	MGXHYIQPQVFVJW-ZCFIWIBFSA-N	204.661	-0.097	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(F)F)C(=O)C#CB(O)O	2243356242	DOAAMBVEQNWXAB-RQJHMYQMSA-N	231.007	-0.639	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1sccc1B(O)O	2243361368	AFCYFCKDZFHRBH-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
C[C@H]1[C@H](N)CCN1C(=O)C1CC(B(O)O)C1	2243396202	IZOWCUMYWGBBKJ-DFAZKQQPSA-N	226.085	-0.813	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)sn1	2243398166	NPOHAAKTMFQWAM-LURJTMIESA-N	240.093	-0.483	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC2(CC2)C1	2243408384	MDJXTALRYAVOCM-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
CC1(NC(=O)C2(B(O)O)CC2)CCNCC1	2243410169	WKKJPVPCRNCULC-UHFFFAOYSA-N	226.085	-0.748	50	10	BBGE	
CCn1cc(NC(=O)C2(B(O)O)CC2)cn1	2243410553	DEVWFAOOSMAETB-UHFFFAOYSA-N	223.041	-0.152	50	10	BBGE	
CC[S@@](C)(=O)=NC(=O)c1occc1B(O)O	2243411612	XIFIFTLILFMADO-MRXNPFEDSA-N	245.065	-0.783	50	10	BBGE	
CC(C)[C@@H](CCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243420776	ZGFCLASCSDAMQO-XHNCKOQMSA-N	229.085	-0.628	50	10	BBGE	
NC/C=C/COc1cc(B(O)O)c(Cl)cn1	2245912635	DOGVUSBHIPESMC-OWOJBTEDSA-N	242.471	-0.692	50	10	BBGE	
C[C@H](NC(=O)c1coc(B(O)O)c1)[C@H]1C[C@H]1C	2247734934	WHFQRXLFRAGTED-FJXKBIBVSA-N	237.064	-0.266	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1[C@H]2CCC[C@H]1C2	2247742852	VEZSMENQGQKCPU-YUMQZZPRSA-N	235.048	-0.274	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@@H](C1)C2	2247742996	XJTSRRCGDWDATJ-OCAPTIKFSA-N	235.048	-0.559	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccoc1B(O)O	2247748196	ZGLHCWBEIMUEME-QMSLJYSESA-N	235.048	-0.655	50	10	BBGE	
CCC[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)n[nH]1	2247783883	MKOUJWUTHWMHHF-BQBZGAKWSA-N	237.068	-0.992	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2COC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786186	XGACAWCLWHEBOE-GENCIFFESA-N	239.080	-0.610	50	10	BBGE	
Cc1cnc(C(=O)NC[C@H](C)F)c(B(O)O)c1	2247787724	SVZLSPYOAMJGBX-ZETCQYMHSA-N	240.043	-0.842	50	10	BBGE	
C[C@@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800447	PGEDAKPTCKEJHC-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
CCN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CCOCC1	2247805062	ARIZSLSUCKNDPN-UWVGGRQHSA-N	241.096	-0.123	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](O)C12CCC2	2247807653	IQSXDWMBAGMWSI-AMDVSUOASA-N	239.080	-0.635	50	10	BBGE	
CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CC2	2247810220	VRNVITFBVMMHTE-HRDYMLBCSA-N	238.096	-0.940	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]1CF	2247847705	APWBGVDVDLDJCG-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
CN(Cc1ccc(N)cc1)C(=O)C#CB(O)O	2247847948	DVZHCPWWDOUODN-UHFFFAOYSA-N	232.048	-0.757	50	10	BBGE	
CC1(CONC(=O)c2ccc(B(O)O)o2)CC1	2247848562	NLLGKGYWLCRWMV-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
CC1(NC(=O)c2cc(B(O)O)c[nH]2)CCCC1	2247849620	CGOBQXSRMDJGNU-UHFFFAOYSA-N	236.080	-0.243	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCC[C@H]21)C1(B(O)O)CCC1	2247853855	SOTVPCOSUIXJTK-HRDYMLBCSA-N	238.096	-0.750	50	10	BBGE	
O=C(N1CC[C@H]2COCC[C@@H]21)C1(B(O)O)CC1	2247854149	XWNXUNBRAYPTIC-IUCAKERBSA-N	239.080	-0.369	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2C[C@H]1CC[C@@H]2O	2247854560	FEOMOESCGJGZGB-IGORNWKESA-N	239.080	-0.779	50	10	BBGE	
CC(C)[C@@H](CN(C)C)NC(=O)C1(B(O)O)CC1	2247855860	ZFUVXBNCCAQDLV-SECBINFHSA-N	242.128	-0.304	50	10	BBGE	
C=C(C)CN(CC)C(=O)c1coc(B(O)O)c1	2247872088	MSBQIUUZSHOZRG-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
C[C@H]1CO[C@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247873092	DXJVOPRKEKREJY-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CN(Cc1ccnn1C)C(=O)C1(B(O)O)CC1	2247877438	AVTMOKLMFOZFPI-UHFFFAOYSA-N	237.068	-0.615	50	10	BBGE	
CC(C)[C@H](C)[C@H](N)CNC(=O)[C@H]1C[C@H]1B(O)O	2247898707	HCDBDVKAUWHWMT-AXTSPUMRSA-N	242.128	-0.415	50	10	BBGE	
CCC(CC)NC(=O)c1nccnc1B(O)O	2248053446	CVFWATOYOZHEQO-UHFFFAOYSA-N	237.068	-0.925	50	10	BBGE	
Cc1n[nH]cc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2248391846	ULDYHVZYMULPJR-BDAKNGLRSA-N	237.068	-0.461	50	10	BBGE	
O=C(N[C@H](CC1CC1)C(=O)O)[C@H]1C[C@@H]1B(O)O	2248588971	KMQFKCKBMYXUIW-BIIVOSGPSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1C(=O)c1cocc1B(O)O	2249420485	VCTMAIFABZFXDF-OCAPTIKFSA-N	237.064	-0.028	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(C(F)(F)F)CC1	2249999876	AUMKJCSQWPSHNI-UHFFFAOYSA-N	248.997	-0.149	50	10	BBGE	
CC1(OCc2c(F)cccc2B(O)O)COC1	2251323863	LJWIMDYAKCRDSG-UHFFFAOYSA-N	240.039	-0.189	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1ccncc1B(O)O	2255458739	VXLQPYXYZNXZBJ-BDAKNGLRSA-N	248.091	-0.463	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	2255459279	DRJORRUNUNKYRA-CDPPZIPSSA-N	249.075	-0.974	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccn(C2CCC2)n1	2255465338	JGSBWYKOLNPMCI-UHFFFAOYSA-N	247.063	-0.760	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)[C@@H]2CCCCCC[C@@H]21	2255470060	XUOLXZVLVCWQIU-ZJUUUORDSA-N	249.075	-0.290	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ncncc1B(O)O	2255504310	LXJDYCSXLHKOKY-HTQZYQBOSA-N	249.079	-0.831	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(C)ccc1B(O)O	2255513134	LVPRFRSYNUQIRX-JTQLQIEISA-N	245.087	-0.184	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)[C@H]1C[C@@H](B(O)O)C1	2255562223	RUMIZDFBWFZZEE-WUFOVSGRSA-N	247.103	-0.134	50	10	BBGE	
COc1cccc(B(O)O)c1C(=O)N1CCCC1	2255567080	WKTFKQOQGJOBEZ-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
C=C[C@H]1CCN(C(=O)c2ncccc2B(O)O)C1	2255713465	BCZMHCDDCBRMLQ-VIFPVBQESA-N	246.075	-0.591	50	10	BBGE	
C=C1CCN(C(=O)c2ccncc2B(O)O)CC1	2255733035	FNSYNQDPOUIHLE-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12	2298367369	CECWLGVDXYASPK-PORUNHMFSA-N	233.076	-0.447	50	10	BBGE	
C[C@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376698	JXFHTKJTJWQZCP-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
CC(C)[C@@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298463628	PJKAEUXCYLGMGD-CSMHCCOUSA-N	243.068	-0.583	50	10	BBGE	
Cc1cnn(-c2ccc(C=O)c(B(O)O)c2)c1	2301421584	WGUJUKUSQHDJEK-UHFFFAOYSA-N	230.032	-0.327	50	10	BBGE	
O=Cc1ccc(N2CC=CCN2)cc1B(O)O	2301452449	HRTCWQDLIWILOM-UHFFFAOYSA-N	232.048	-0.940	50	10	BBGE	
CC(C)(CO)Nc1ccc(C=O)c(B(O)O)c1	2301452619	JRZTZBCJDORVCD-UHFFFAOYSA-N	237.064	-0.638	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H](C(N)=O)C1)C(=O)NN	2303410746	PDMDZVMVGASQGO-KCJUWKMLSA-N	242.323	-0.800	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)CCC1=O)C(=O)NN	2303438829	JCMVRACQSREGRU-LDYMZIIASA-N	243.307	-0.624	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@H]1[C@@H](O)C2	2306256372	KMQATHZVJYXNGS-MBXMOIHESA-N	239.080	-0.779	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	2312516111	LRTNMXFMGCSBSL-XVWDQHCBSA-N	249.314	-0.131	50	10	BBGE	
C#CCN(c1ccc(C=O)c(B(O)O)c1)C1CC1	2317319371	RNJSFWQNTSEQAX-UHFFFAOYSA-N	243.071	-0.219	50	10	BBGE	
C[C@H]1CCCCN1CCCNC(=O)C(=O)NN	58850598	DBAOJXHYNPCQEL-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
C[C@@H](CNCc1ccncc1)C(=O)NN	58851062	FBVQGYKDXKBEBY-QMMMGPOBSA-N	208.265	-0.203	50	10	BBGE	
C[C@@H](CC(=O)NN)NC[C@H]1CCCO1	58852346	LZOPSLYJJZNKGQ-JGVFFNPUSA-N	201.270	-0.477	50	10	BBGE	
O=S(=O)(CCl)NCCCc1ncn[nH]1	70820634	CXBSQIDHORXFKW-UHFFFAOYSA-N	238.700	-0.147	50	10	BBGE	
COCCN(CCOC)[C@H](C)[C@@H](C)C(=O)NN	93072186	AMGMEKOEWJKBLT-NXEZZACHSA-N	247.339	-0.404	50	10	BBGE	
CN1CCN(Cc2occc2C(=O)NN)C1=O	104123077	XKBQBBMMLOSESF-UHFFFAOYSA-N	238.247	-0.250	50	10	BBGE	
NNC(=O)CCCCCN1CCO[C@@H](CO)C1	122368003	QLJHDHGMXJUYEE-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
C[C@@H](CN1CCC[C@@](C)(O)C1)C(=O)NN	157536791	LZOZXMJUKLQRRQ-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)CCCCCN1CCOC[C@H]1CO	159542337	DOIBMVIJQPPLEX-SNVBAGLBSA-N	245.323	-0.770	50	10	BBGE	
CN(C)C(=O)CC(=O)NNC(=O)C(C)(C)C	173981642	QTLGGTICPFCYIC-UHFFFAOYSA-N	229.280	-0.342	50	10	BBGE	
CCC[C@@H](C(=O)NN)n1cc(C(N)=O)cn1	211964982	IYDVFYZGYISDDL-ZETCQYMHSA-N	225.252	-0.687	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\N1CCNCC1	216971417	UFTNELFZYXIWPF-KTKRTIGZSA-N	222.292	-0.175	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@H]1CCO	251540790	JENPWCGUZDLWIG-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCN2CCC[C@H]2C1	251708120	YAJWNACZRXLTOB-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
CCS[C@@H]1CC[C@H](NC(=O)C(=O)NN)C1	300392377	VKLNUNSOVVPVHG-NKWVEPMBSA-N	231.321	-0.233	50	10	BBGE	
C=CCCS(=O)(=O)NNC(=O)NC	308142312	ADOKYHNXCFNDHG-UHFFFAOYSA-N	207.255	-0.674	50	10	BBGE	
CCOC(=O)[C@@H](C#N)/C(C)=N/NC(N)=O	308682230	OGYDNTYUSOEHQM-KJEDMFHHSA-N	212.209	-0.267	50	10	BBGE	
CC[C@H](C)N(CCO)[C@H](C)CC(=O)NN	308838089	XCSUVDBPFIDHNS-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CCN(C)C1	381638088	OSGLEJHPHIWCBB-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1[N+](=O)[O-]	396050090	JYWYZXNJORCBBT-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
O=C(CCl)Cc1cc(B(O)O)ccc1F	396073620	VKUWIHNBXGFLCL-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
COc1cccc2c1N(CC(=O)NN)C(=O)C2=O	400868124	GICPJYZZBXSPFP-UHFFFAOYSA-N	249.226	-0.786	50	10	BBGE	
CC[S@@](=O)Nc1cc(B(O)O)ccc1C	404879114	HTICUWBZFIFIRG-OAHLLOKOSA-N	227.094	-0.230	50	10	BBGE	
CC[S@](=O)Nc1cc(C)cc(B(O)O)c1	404991152	VOGFKKDUPQJDMR-HNNXBMFYSA-N	227.094	-0.230	50	10	BBGE	
Cc1cn(C[C@H]2CCO[C@@H]2C(=O)NN)cn1	675058776	XLLVGKNRHMGSNC-BDAKNGLRSA-N	224.264	-0.413	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690156028	PVTVSMYLTALISY-XPUUQOCRSA-N	201.270	-0.933	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@H](NC(N)=O)C1	690796041	PZMOUJMENLDMRU-RITPCOANSA-N	219.672	-0.117	50	10	BBGE	
O=C1CN(C[C@H]2CCN2C2CC2)CC(=O)O1	691721136	LLIIZBVVTLWYJE-SECBINFHSA-N	224.260	-0.392	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H](F)C2CNC2)CC1	692132224	PKAAFUFWONNARB-VIFPVBQESA-N	241.266	-0.579	50	10	BBGE	
OB(O)c1cc(F)cc(Cn2ccnn2)c1	699052930	ZTXRTEHTJTXMIE-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
O=C(NCB(O)O)OCc1ccccc1	702031520	WMTRYIKYFFMBLQ-UHFFFAOYSA-N	209.010	-0.075	50	10	BBGE	
CC[C@](C)(OC)C(=O)NNC(=O)c1cnn[nH]1	795081273	OUYRMYYSZLXDBM-VIFPVBQESA-N	241.251	-0.619	50	10	BBGE	
N#CC(C#N)=CNC[C@]12COCCN1C(=O)OC2	864351078	OVSMGCDBOXMZJW-LLVKDONJSA-N	248.242	-0.272	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NN(C)C(=O)OC	908114463	ITJXVTMQWJDYLO-WWVFMHICSA-N	202.210	-0.347	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)C1CCC1	1565711722	NHNMJLCBAHMRHV-QMMMGPOBSA-N	224.260	-0.028	50	10	BBGE	
CCCCNC(=O)NNC(=O)[C@H]1C[C@H]1C(N)=O	1625698390	AJIHQODZYVLGQL-RQJHMYQMSA-N	242.279	-0.762	50	10	BBGE	
O=C1NC(=O)N(C[C@@H]2C[C@H]2Br)C1=O	1877372580	MSNCVMOREALWSY-IUYQGCFVSA-N	247.048	-0.152	50	10	BBGE	
Cn1nnc(C[C@H](N)CBr)n1	1880235666	XTNWZDPKPMEDCT-BYPYZUCNSA-N	220.074	-0.525	50	10	BBGE	
Cn1[nH]c(=N)[nH]c1=NC[C@H]1C[C@H]1Cl	1883567449	PFGIEHVATOFVMV-RFZPGFLSSA-N	201.661	-0.311	50	10	BBGE	
C[C@@H](Cl)CNS(=O)(=O)N1CC(O)C1	1883710700	HWMJEJNPVNHIMR-RXMQYKEDSA-N	228.701	-0.875	50	10	BBGE	
C[C@@H](CCCl)C(=O)N1C[C@H](O)[C@H](O)C1	1885933260	WMADRDHNPJUFTK-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
NNC(=O)C(F)(F)COC(CF)CF	1886033306	LHJVRFVJAQXAKI-UHFFFAOYSA-N	218.150	-0.064	50	10	BBGE	
O=C(CCl)N1C[C@@H](CO)OCC12CC2	1886195315	QQCHHWVGVDOGOW-ZETCQYMHSA-N	219.668	-0.023	50	10	BBGE	
CCCN(CC)CC(=O)NNC(C)=O	1892435736	DDGAVBFORDWCLP-UHFFFAOYSA-N	201.270	-0.114	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1ncccc1B(O)O	1895382239	SOYAJJCUYLHRRP-RQJHMYQMSA-N	220.037	-0.644	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@@H]2COC[C@@H]21	1897219846	YGUXPDQVLPWJHV-SFYZADRCSA-N	244.678	-0.493	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C1CCC1)C(=O)C(=O)NN	1897486725	NGVFJHXTYKCCLU-IUCAKERBSA-N	225.292	-0.129	50	10	BBGE	
CCCN(CCC)NC(=O)[C@H]1CNCCN1	1902045358	HYJCUHGCHQTNGE-SNVBAGLBSA-N	228.340	-0.299	50	10	BBGE	
C=C1C[C@H]1C(=O)NCc1cnc(B(O)O)s1	1902403786	LJSWNRPMTVSSPT-SSDOTTSWSA-N	238.077	-0.985	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)/C=C\C(=O)O)C1	1902511503	HWFBIXVHCLRCQW-XADBCAIWSA-N	227.025	-0.907	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CNC(=O)C2)C1	1902551568	RPXISINYXBQMOB-SCZZXKLOSA-N	226.085	-0.939	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)c(F)cn1)[C@@H](C)N	1903005365	GERIJUXZVNHXDP-RITPCOANSA-N	227.048	-0.952	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN(C[C@H](C)C(=O)NN)C1	1906327592	SGWMFGODYKQAPP-IVZWLZJFSA-N	245.323	-0.652	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(CC(=O)NN)C1=O	1910364181	OTTFPWQJKDMBPC-WDSKDSINSA-N	213.237	-0.993	50	10	BBGE	
C[C@H](O)C1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CC1	1913497717	MLNPGINABFFVGI-FXQIFTODSA-N	225.244	-0.184	50	10	BBGE	
CS(C)(=O)=NCc1cc(F)cc(B(O)O)c1	1913503312	BXHLAJUQOOMWJX-UHFFFAOYSA-N	245.084	-0.267	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC1(CO)CC1	1915532602	UJOQJPGDUDSRDT-SECBINFHSA-N	229.324	-0.295	50	10	BBGE	
N#CC1=CCN([C@H]2CCN(CC(=O)O)C2=O)CC1	1917057302	SYZAYQLSKLISCD-JTQLQIEISA-N	249.270	-0.172	50	10	BBGE	
C[C@@H](O)C(=O)NN(CCO)C(=O)OC(C)(C)C	1923407133	KZONURNDVFQTST-SSDOTTSWSA-N	248.279	-0.372	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1ccncn1	1923410488	NUWTYXFHZHVWRV-UHFFFAOYSA-N	234.137	-0.200	50	10	BBGE	
CC(C)CCN(CCO)C[C@@H](C)C(=O)NN	1924502084	NWRFOZRVDSHBHX-SNVBAGLBSA-N	231.340	-0.047	50	10	BBGE	
Cc1nnn(C)c1CNC(=O)CCl	1932174823	YKWCJDDYRJGFGE-UHFFFAOYSA-N	202.645	-0.021	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCC(F)F	1932582594	VTZPULMDDRPWDA-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)[C@H]1C(=O)O	1934602694	NHVYPGPQGCJPQH-PHDIDXHHSA-N	201.226	-0.423	50	10	BBGE	
C[C@@H]1CCC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1936092117	RKSHQOAWJZLIGC-HRDYMLBCSA-N	225.292	-0.129	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C[C@H]1C[C@@H]1C(=O)NN	1936094529	OCEAZXMDYFBVBD-RVNJLFSHSA-N	247.364	-0.689	50	10	BBGE	
O=C(CCn1cnnn1)N[C@@H]1COC[C@H]1Cl	1937142917	MVSJZZAFCXVFNW-RNFRBKRXSA-N	245.670	-0.814	50	10	BBGE	
CO[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H]1F	1937152911	HJWSDWOLNJZHPA-YUMQZZPRSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H](O)[C@H]2C1	1938375254	HXOMDIABLHXPSA-WYCDGMCDSA-N	227.308	-0.687	50	10	BBGE	
CN(CCN(C)C1CC1)C[C@@H]1C[C@H]1C(=O)NN	1941990806	CZBGMBOVYACUNK-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@]12CC[C@H]1C2	1951283424	CNKCVXOOHBCIAF-CPCISQLKSA-N	232.048	-0.500	50	10	BBGE	
CN1CCNC[C@H]1C(=O)CBr	1953236833	LGDKBTXMOTWHQG-LURJTMIESA-N	221.098	-0.146	50	10	BBGE	
C[C@H](Cl)C(=O)NCCCNC(N)=O	1953864737	FTHBJZZVEFFQQO-YFKPBYRVSA-N	207.661	-0.212	50	10	BBGE	
O=C(CCl)NC(=O)N1CCC12COC2	1956874830	CZRFABPTUCAZCU-UHFFFAOYSA-N	218.640	-0.064	50	10	BBGE	
CSCCSc1ncc(B(O)O)cn1	1956954556	BZZKBXQYOMUDCE-UHFFFAOYSA-N	230.123	-0.389	50	10	BBGE	
O=C(CCCl)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281378	QVARAACZFFZUGS-BDINMYNLSA-N	237.708	-0.226	50	10	BBGE	
CCC[C@@H](COC)N(C)C(=O)C(=O)NN	1957482576	NZXHQMMWAOYWRH-ZETCQYMHSA-N	217.269	-0.750	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	1960964262	JSBVDOVOEKUSAC-IWSPIJDZSA-N	212.297	-0.857	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2CCO[C@@H]2C1	1961584323	MLAQURGIZWUSNS-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
Cc1nc(O[C@H]2C[C@H]2C)ccc1B(O)O	1961688301	SKWDRDBQSMNKMR-MUWHJKNJSA-N	207.038	-0.143	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975302489	FFVXLSVHFVYOTE-CIUDSAMLSA-N	215.297	-0.544	50	10	BBGE	
CN(C)NC(=O)N1C[C@]2(C(=O)O)C[C@@]2(C)C1	1978992093	YODPJQOLKWUPRB-UWVGGRQHSA-N	227.264	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2COCC[C@@H]21	1980814063	ORALOAYFWLZUDN-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)C1	1980949242	FWPNORZRFLIGNF-VPTHRUTESA-N	247.364	-0.402	50	10	BBGE	
OB(O)c1cnc(N2CCC3(CC3)C2)nc1	1981408717	DNFITJNPJVVCQP-UHFFFAOYSA-N	219.053	-0.853	50	10	BBGE	
COC[C@H](OCCN1CCCC1)C(=O)NN	1982848106	GYIWBNCEDFVXFB-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
OB(O)c1ccn(CC2CC(C3CC3)C2)n1	1983360038	YHHLMNIFSIFHGB-UHFFFAOYSA-N	220.081	-0.001	50	10	BBGE	
NNC(=O)CCOC1CC(n2cnnc2)C1	1986221255	LUINTWVOXCANKW-UHFFFAOYSA-N	225.252	-0.622	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1[C@H](F)[C@H](O)C2	1988837081	LAGASTVGUUCOPG-NXRLNHOXSA-N	231.271	-0.700	50	10	BBGE	
CO[C@@H]1CC[C@H](C(=O)NCC=CB(O)O)C1	1991326147	DEKSIFRNHZOPHZ-DTWKUNHWSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@H]1C[C@@H](O)CCO1	1991662515	LQZBLHCUVBYBNX-JGVFFNPUSA-N	247.678	-0.036	50	10	BBGE	
C[C@H](CN1CC[C@@H]2CCN(C)[C@H]2C1)C(=O)NN	1996607927	JDIXVPMBPJUFTQ-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
CCN(CCCC(=O)NN)Cc1nc(C)no1	1997741090	WVGXTDDJLFGQMS-UHFFFAOYSA-N	241.295	-0.030	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC3(CCC3)CO2)n1	2001612908	IQXMTDUWXDIPIU-VIFPVBQESA-N	236.080	-0.478	50	10	BBGE	
C[C@@H]1CCCCN(c2ncncc2B(O)O)C1	2004915747	CPCILQSVCOHVSM-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CO[C@@H](C)CN(C)c1ncc(B(O)O)cc1C	2005014353	KFGGIFYXNZSAIN-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
CCON(c1nc(C)ncc1B(O)O)C(C)C	2005017847	LAULDWYPPAQBIA-UHFFFAOYSA-N	239.084	-0.369	50	10	BBGE	
CCN(CC)CCOc1ccncc1B(O)O	2007034887	DSGYSDDYQXRFLB-UHFFFAOYSA-N	238.096	-0.518	50	10	BBGE	
COc1nccc(C)c1CNC(=O)C(=O)NN	2011967400	RHTFWIIJXNEZDV-UHFFFAOYSA-N	238.247	-0.995	50	10	BBGE	
CN1CCCC12CN(C[C@H]1C[C@H]1C(=O)NN)C2	2013602694	UOCKZSUQDGBPLC-NXEZZACHSA-N	238.335	-0.608	50	10	BBGE	
CCc1ccc(C(=O)NCC#CB(O)O)cc1	2021164351	FZQHRDIDXDMKMB-UHFFFAOYSA-N	231.060	-0.006	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2C[C@@H]2C1	2022199348	DBNNPONZRPWZRF-RKDXNWHRSA-N	231.060	-0.542	50	10	BBGE	
CCCCN(O)C(=O)c1cccc(B(O)O)c1	2022200511	UZNNSDTWQNFQCK-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCC[C@@H]1CN(C[C@H](C)C(=O)NN)C[C@@H]1CO	2025425878	BNKBKOGSIKOJLL-HBNTYKKESA-N	243.351	-0.047	50	10	BBGE	
CN(C)C1(C)CN(Cc2ccc(B(O)O)cc2)C1	2042513693	XFFQQUQJBIOEJK-UHFFFAOYSA-N	248.135	-0.498	50	10	BBGE	
CCN1CC[C@@H](N(C)c2ccncc2B(O)O)C1	2052507625	QPGFSSAXJCIFAE-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
CC1(C)C[C@H]1Cn1cnc2c(B(O)O)ncnc21	2055735775	HTZYTBIJCQMJII-ZETCQYMHSA-N	246.079	-0.448	50	10	BBGE	
Cc1ccc(CO[C@@H]2CCN(C)C2)cc1B(O)O	2077340911	XGYPARZVHHJOMW-GFCCVEGCSA-N	249.119	-0.104	50	10	BBGE	
CO[C@]1(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1	2079008112	DUXAIYUWAOIELG-ZYHUDNBSSA-N	249.075	-0.726	50	10	BBGE	
C=C(CN(C)C[C@@H](F)[C@H]1CCOC1)B(O)O	2212185156	UTOAZUIYEXLNAP-VHSXEESVSA-N	231.076	-0.139	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCC[C@@H]2C3)nc1	2212601604	QDUQLXKWTTWTGS-XCBNKYQSSA-N	219.053	-0.489	50	10	BBGE	
OB(O)c1ccnc(NCCC(F)F)c1F	2212604928	UUIRMOGUEUKYOS-UHFFFAOYSA-N	233.986	-0.032	50	10	BBGE	
Cc1cccn(Cc2ccc(B(O)O)s2)c1=O	2214513456	MHTQDZWCCNOKSE-UHFFFAOYSA-N	249.100	-0.054	50	10	BBGE	
CN1CC(CN(C)C[C@H]2CC[C@H]2C(=O)NN)C1	2215774509	XKYXLMCCYJJVER-GHMZBOCLSA-N	240.351	-0.504	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CCC[C@@H](CO)C1	2215777021	QFGPVUFMRKMYJQ-MXWKQRLJSA-N	241.335	-0.293	50	10	BBGE	
COC(C)(C)COc1cc(B(O)O)c(C)cn1	2217181099	YHRKIMIOQHZESX-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
C#C[C@@H]1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2217199457	MLSKPMAZCYDFHN-KOLCDFICSA-N	230.076	-0.025	50	10	BBGE	
O=C1[C@H]2C[C@H]2CCN1Cc1cccc(B(O)O)c1	2221487274	DANBMAQMXSNOHR-PWSUYJOCSA-N	245.087	-0.265	50	10	BBGE	
OC[C@@H]1CCN(c2cc(B(O)O)ccn2)C12CC2	2223674661	QVYFNFIKGHDBIZ-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
O=C(NCCCF)C1(B(O)O)CCC1	2241480956	NAKYMESNOAPWIS-UHFFFAOYSA-N	203.022	-0.141	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCSCC1	2243348933	CKYSBECLYGMPKV-UHFFFAOYSA-N	241.077	-0.852	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H]1CC1CCC1	2243357028	QFJPULZTSHZKDF-SNVBAGLBSA-N	221.065	-0.207	50	10	BBGE	
CN(CC1CC1)C(=O)c1sccc1B(O)O	2243362983	ZGUWEVPWLIZEED-UHFFFAOYSA-N	239.105	-0.090	50	10	BBGE	
O=C(NCCc1cncs1)C1(B(O)O)CC1	2243364051	QEDLRKCCCIGRHO-UHFFFAOYSA-N	240.093	-0.191	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CF)c(B(O)O)s1	2243378014	LEJOLKKSIMIXAK-YFKPBYRVSA-N	245.084	-0.176	50	10	BBGE	
CN(C[C@@H]1CC1(F)F)C(=O)[C@H]1C[C@H]1B(O)O	2243381896	KCOLLKQZILRNMQ-LYFYHCNISA-N	233.023	-0.037	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCO[C@H]21)C1CC(B(O)O)C1	2243391925	PBTNNNLFAUHXFO-HPTJDRHVSA-N	225.053	-0.857	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2243396697	PQTJLNCSHNIGLX-JGVFFNPUSA-N	227.069	-0.513	50	10	BBGE	
O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@@H]1B(O)O	2243397085	VIQZYQGKANIWTR-CIUDSAMLSA-N	227.069	-0.465	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1C[C@H]2C[C@@H]2C1	2243407251	OCOLXUMMZWJRQR-RNFRBKRXSA-N	237.089	-0.480	50	10	BBGE	
Cc1ccc(C(=O)NCCF)cc1B(O)O	2243410190	WULGSUUTPXZLJL-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CN1	2243417827	XGIUNDLLZOCZSX-HXFLIBJXSA-N	226.085	-0.894	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C1CC(C)C1)B(O)O	2243420404	RUSWQVOSTLAEQT-UHFFFAOYSA-N	247.125	-0.385	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cccc(F)c1=O	2243940228	XVCUQDJBDPVUAF-RQJHMYQMSA-N	225.223	-0.387	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1CC[C@H](F)C1	2244548722	TVASQDWHSGWEAP-IUCAKERBSA-N	227.044	-0.354	50	10	BBGE	
CC[C@H](O)CN=c1cc(B(O)O)c(Cl)c[nH]1	2245913356	QFSRZJSPNBUYCX-LURJTMIESA-N	244.487	-0.981	50	10	BBGE	
O=C(N1CC[C@H]2C[C@]2(O)C1)C1(B(O)O)CCC1	2247734065	RGNVMSXSUQXDDE-KWQFWETISA-N	239.080	-0.633	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCO[C@H]21)C1(B(O)O)CCC1	2247753266	DTALACUEDHQYEO-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@]12CCCNC[C@H]1C2)C1(B(O)O)CC1	2247755965	KMEVOEHZXUOCNW-LDYMZIIASA-N	238.096	-0.748	50	10	BBGE	
Cc1nc(NC(=O)[C@H]2C[C@@H](B(O)O)C2)nn1C	2247787760	UFUOLTGWJACBSE-KNVOCYPGSA-N	238.056	-0.685	50	10	BBGE	
NC[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247790650	IMYGUGWHBOXQME-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CCc1nocc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797500	KGQOYLSJUJAVMT-SFYZADRCSA-N	238.052	-0.284	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)CN(C)C	2247798151	QOQKCPVOCBDJKG-IDKOKCKLSA-N	242.128	-0.447	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)[C@@H]1CCCO1	2247801130	XKAPFOUVYFGTFJ-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2COC[C@@H]2C1	2247809766	RFVRURLSOURWMY-ZNHWEVIXSA-N	239.080	-0.656	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1cc(B(O)O)c[nH]1	2247848017	FXJYKNZJNDYPKR-HQJQHLMTSA-N	234.064	-0.633	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247855599	VETFSRHVIGHYGG-BZNPZCIMSA-N	241.096	-0.485	50	10	BBGE	
CCc1c(NC(=O)[C@H]2C[C@@H]2B(O)O)cnn1C	2247858275	CHTOQLFNWVBPFN-BQBZGAKWSA-N	237.068	-0.216	50	10	BBGE	
C=CCCNC(=O)c1nc(C)ccc1B(O)O	2247870351	IPQARZQOIWQNDF-UHFFFAOYSA-N	234.064	-0.624	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1coc(B(O)O)c1	2247870374	IXABMPBUSDCVDG-BWVDBABLSA-N	235.048	-0.512	50	10	BBGE	
O=C(NCCC[C@H]1CCCN1)C1(B(O)O)CC1	2247878812	NQSRDGXUHTWLDK-SECBINFHSA-N	240.112	-0.358	50	10	BBGE	
CN(C)CCC(C)(C)NC(=O)[C@H]1C[C@@H]1B(O)O	2247887643	QHFQKYJCLGUXRL-IUCAKERBSA-N	242.128	-0.304	50	10	BBGE	
O=C(NCCC1(O)CCCC1)[C@H]1C[C@H]1B(O)O	2247894872	LRYDJHFVVGWRSE-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
CC[C@]1(N)CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247899579	OKHCKMNSRFFJIQ-QXEWZRGKSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@@H]1CCCOC1)[C@H]1C[C@H](B(O)O)C1	2247900653	YSCKHSFRQJPIII-GUBZILKMSA-N	241.096	-0.218	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCOC[C@@H]21)C1CC(B(O)O)C1	2247909780	LMLMYNIBAKVTSX-YSPNUELXSA-N	239.080	-0.610	50	10	BBGE	
CN(CCC1CC1)C(=O)c1cocc1B(O)O	2249415147	AFDKDZBGWANCFM-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
C[C@@H](OCCn1cc(C(=O)NN)nn1)C(F)F	2249475649	LLFXBZPQKTVCQC-RXMQYKEDSA-N	249.221	-0.448	50	10	BBGE	
O=C(Nc1nncn1C1CC1)[C@H]1C[C@H]1B(O)O	2250333904	RPIQXYQYLPIIMB-NKWVEPMBSA-N	236.040	-0.586	50	10	BBGE	
O=C(N[C@H]1CC[C@H]2C[C@@H]1C2)c1coc(B(O)O)c1	2255443676	CKGHVXSBQXSUCJ-XKSSXDPKSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C2CCC2)n1	2255488041	YNDTVHUCQUFGST-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C=CCCCNC(=O)c1ncc(C)cc1B(O)O	2255683369	VJPGZTQURPAHKK-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N[C@@H]1CC12CC2	2255691108	KLJLBHNZUXTTFT-LLVKDONJSA-N	245.087	-0.043	50	10	BBGE	
N#CCCN(C(=O)c1ccoc1B(O)O)C1CC1	2255721508	ALHCXMGKOSHIDP-UHFFFAOYSA-N	248.047	-0.522	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)CCC#N)c1	2255737082	ZDVVVBXUGZDWEH-UHFFFAOYSA-N	246.075	-0.340	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C[C@H]1[C@H]1C[C@H]21	2258126934	HLBALSONWCXULB-PRQTWWFRSA-N	247.059	-0.560	50	10	BBGE	
O=C(NCC[C@@H]1CCO1)c1ccc(B(O)O)cc1	2263969492	ZIEPBWKPMGOCGS-LLVKDONJSA-N	249.075	-0.725	50	10	BBGE	
Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1B(O)O	2264100305	VTGSAATYMZXVLB-KOLCDFICSA-N	247.103	-0.053	50	10	BBGE	
CN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H]2CC[C@H]21	2298369940	JNVVIMQZJXVYOS-KYXWUPHJSA-N	238.096	-0.846	50	10	BBGE	
C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298376649	HFNHBVAJMJEDEO-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@H]2C[C@]1(CO)C2	2299946749	YMGNQCBFQHGJSA-WYOJIJJFSA-N	239.080	-0.777	50	10	BBGE	
C=C[C@H](CO)Nc1ccc(B(O)O)cc1C#N	2301341404	OSWNGGUYIDQXIL-SNVBAGLBSA-N	232.048	-0.803	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](F)C2=O)n1	2301876301	JWHHYLWCIHMADZ-YFKPBYRVSA-N	242.210	-0.652	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2302059080	LCYCJQBRDXKJLP-OPRDCNLKSA-N	247.314	-0.060	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(c1cc(B(O)O)ccn1)C2	2312614717	GHQTVNIGTFLACU-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
CCOC(=O)CNc1ccc(B(O)O)cc1C#N	2317162975	NEMJWRGRSPWLGG-UHFFFAOYSA-N	248.047	-0.787	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)C1CNC1	2317206780	QDFKBFQYOSMFIJ-QMMMGPOBSA-N	246.075	-0.775	50	10	BBGE	
C#CCONC(=O)Nc1cccc(C)c1B(O)O	2327693586	ZSCAVYVEIQCIQM-UHFFFAOYSA-N	248.047	-0.639	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1COCCO1	38063257	DDRIJTYRONYGFU-ZCFIWIBFSA-N	236.655	-0.534	50	10	BBGE	
COc1ccc(C(=O)N/N=C(\N)C(=O)O)cc1	82302608	OGHGLQBCBMEZHT-UHFFFAOYSA-N	237.215	-0.218	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCN(C)CC1	82466521	URDREGXDCCYJHI-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
CCCNC(=O)CN(C)[C@H](C)CC(=O)NN	82469960	HRTJVASQQDAOHK-MRVPVSSYSA-N	230.312	-0.787	50	10	BBGE	
NNC(=O)CCCN1CCC[C@@H](N)C1	82470168	WNIQIFUOWUSIAG-MRVPVSSYSA-N	200.286	-0.820	50	10	BBGE	
C[C@@H]1CC(=O)N(CCCCC(=O)NN)C1=O	82471606	BGXNEALKEWEHCJ-SSDOTTSWSA-N	227.264	-0.458	50	10	BBGE	
C[C@H](N)CCSC[C@@H]1CC[C@H](C(=O)NN)O1	85317007	NFQBYLCBKGCUHN-XHNCKOQMSA-N	247.364	-0.006	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H](O)C2)c1	104121641	IYZFVJDOORNLKI-SECBINFHSA-N	239.275	-0.160	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cc2)C[C@H](C)N1	203631153	DGNKLJFGFIGSLE-UWVGGRQHSA-N	234.108	-0.447	50	10	BBGE	
CC(=O)NCC1CCN([C@H](C)C(=O)NN)CC1	226315454	AZWHXQOTTFJCQC-MRVPVSSYSA-N	242.323	-0.787	50	10	BBGE	
O=S(=O)(CCCl)NC[C@@]1(O)CCOC1	227191496	GVWQNMXNPXOSIP-ZETCQYMHSA-N	243.712	-0.704	50	10	BBGE	
COc1cc(B(O)O)nc2ccccc12	231430268	TZBPXOMGMJNGTQ-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
O=[N+]([O-])c1c(B(O)O)ccnc1Cl	238630022	IZZQJLKOHWRHJB-UHFFFAOYSA-N	202.362	-0.677	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1CCOC1	251503969	HVWNUDCPGFTWIW-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1CC(O)C2	252600166	LKBVVWGRYJVIIE-IMSYWVGJSA-N	241.335	-0.011	50	10	BBGE	
C[C@H](O)C[C@H]1CCCCN1CCC(=O)NN	304544166	LHUVIIZGGKKGKW-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CNC(=O)C(C)(C)NC(=O)NC(=O)CCl	306417101	SLYXBPXCGHYDOT-UHFFFAOYSA-N	235.671	-0.424	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccc[nH]1	306645565	CUPYOQBYDYKLIV-UHFFFAOYSA-N	203.223	-0.791	50	10	BBGE	
COC(=O)[C@@H]1[C@@H](Cl)[C@@H]2[C@H]3O[C@H]3[C@H]1[C@H]2O	307471028	PAMNUHRAKMHCDW-NIYCBAFWSA-N	218.636	-0.229	50	10	BBGE	
C[C@H](Br)C(=O)NCCn1ncnn1	379800745	MKSSNFXEBCFYCF-YFKPBYRVSA-N	248.084	-0.427	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)c(CC#N)c1	396135094	DEUGSBHDPGLFFW-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
CSSCCNS(=O)(=O)CCON	397830678	MVFRFOVMQOSVQJ-UHFFFAOYSA-N	246.379	-0.193	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)[C@H](CC)C1	399926786	RDYQONMPJAFYNM-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC(C)(C(N)=O)C1	491085330	QKAAQUNFWXGRFK-VMPITWQZSA-N	237.259	-0.236	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1CC(C)(C(N)=O)C1	491085331	QKAAQUNFWXGRFK-YVMONPNESA-N	237.259	-0.236	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CCO2)cc1	584599922	AKPVXVNHSYMKPR-JTQLQIEISA-N	208.022	-0.466	50	10	BBGE	
OB(O)c1ccc(CN[C@H]2CCCOC2)cc1	585038195	VXRDLLLEHKZCNM-LBPRGKRZSA-N	235.092	-0.365	50	10	BBGE	
CN1C[C@H](CNC(=O)CBr)CC1=O	687824578	QRKJRWGNDXLFKA-LURJTMIESA-N	249.108	-0.024	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)CCC(=O)NN	688148300	UGFPGZBXRARVAO-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)[C@@H](COC)C(=O)NN	688156299	GXPUZIDCWROMJF-UTLUCORTSA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CCCOC2)c1	690537970	GMRLQOUXFIWZHA-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
C[C@H](CN(CCO)CC1CC1)C(=O)NN	690928313	WDUIWWSHUQMZCL-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
COC1(C(=O)NN(C)C)CCOCC1	691991243	NCSMVCZTVROKLS-UHFFFAOYSA-N	202.254	-0.225	50	10	BBGE	
CC1CN(Cc2cccc(B(O)O)c2)C1	698564640	ODDRIGFSSSQTCR-UHFFFAOYSA-N	205.066	-0.182	50	10	BBGE	
Cc1noc(C)c1CC(=O)NNC(N)=O	700852702	NKQHJXRZEFQOGU-UHFFFAOYSA-N	212.209	-0.467	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCC1(F)F	702017778	PTJJOHLYNYGNGY-RXMQYKEDSA-N	206.985	-0.450	50	10	BBGE	
C[C@]12CCCC[C@H]1CN2C(=O)C(=O)NN	707202384	ZSPUQTXVXQLQQM-XVKPBYJWSA-N	211.265	-0.233	50	10	BBGE	
C[C@@H](c1nn[nH]n1)N(C)S(=O)(=O)CCl	707216547	KTPUBTQAKYKOOR-BYPYZUCNSA-N	239.688	-0.281	50	10	BBGE	
C[C@@H]1C[C@]1(C)C(=O)Nc1cc(B(O)O)ccn1	707719094	IKJBRPYYAXYTPD-HQJQHLMTSA-N	234.064	-0.254	50	10	BBGE	
C#C[C@@]1(O)CCN(C(=O)NC(=O)CCl)C1	708103772	JFJGEXSBJHSCBC-SECBINFHSA-N	230.651	-0.469	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(C(N)=O)CC1	721653027	LUSMTLAKFGUFDI-LURJTMIESA-N	219.672	-0.163	50	10	BBGE	
CN(C)c1nccc(NNC(=O)c2nc[nH]n2)n1	781426789	GRDYELJJRRMNJB-UHFFFAOYSA-N	248.250	-0.582	50	10	BBGE	
CC(C)(O)C(=O)NN=C1CC(=O)N2CCC[C@H]12	799486351	YFSXALAQCWCJJU-MRVPVSSYSA-N	239.275	-0.376	50	10	BBGE	
NNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F	852773418	YPXCMTZDSSHVEH-RITPCOANSA-N	242.197	-0.040	50	10	BBGE	
CNC(=S)N(C)NC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	854923048	YBRILQIUQHZIER-RNJXMRFFSA-N	243.332	-0.121	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCS1)[C@@H](O)C1CC1	854984586	DRANOZRZUZHTFL-SFYZADRCSA-N	244.316	-0.200	50	10	BBGE	
O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@H](B(O)O)C1	1261844092	BIYVFCWMCIUBQA-QCLAVDOMSA-N	239.080	-0.371	50	10	BBGE	
CN(C)Cc1ccc(C(=O)NN(C)C(N)=O)o1	1295200404	FRWIKVMDQZQAQH-UHFFFAOYSA-N	240.263	-0.004	50	10	BBGE	
CN(NC(=O)/C=C\c1cnccn1)C(N)=O	1337366066	ONYICOKNHNNFME-IHWYPQMZSA-N	221.220	-0.469	50	10	BBGE	
COC(=O)N(C)NC(=O)c1cc[n+]([O-])cc1	1556548061	AVJIEGWYSMMRJP-UHFFFAOYSA-N	225.204	-0.337	50	10	BBGE	
CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3Cl)[C@H]2C1=O	1615949545	MLOSMCLLMVPMSJ-IIKNFUEMSA-N	229.663	-0.165	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)CCC(N)=O)n1	1624928776	BTIOSDPMCJBGGT-UHFFFAOYSA-N	237.263	-0.198	50	10	BBGE	
O=C(NNCCO)[C@@]12CCOC[C@@H]1C2	1877249744	PBAQHAOACYHVGY-IONNQARKSA-N	200.238	-0.974	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1C[C@H](O)C[C@@H](O)C1	1877520015	IWKOIEPXUCLWQH-WCTZXXKLSA-N	219.668	-0.432	50	10	BBGE	
O=C(CBr)NCCC(CO)CO	1880980232	OJBGGMMYCBLTNS-UHFFFAOYSA-N	240.097	-0.512	50	10	BBGE	
O=C1C[C@@H](NC2CC(Cl)C2)C(=O)N1	1881719622	UAYWFDCDZQJWSG-JMMWHDCWSA-N	202.641	-0.239	50	10	BBGE	
O=S(=O)(NOCCCl)c1cc[nH]n1	1883018009	DELYIKYJFDNHHE-UHFFFAOYSA-N	225.657	-0.142	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)[C@H](C)O	1888561734	IIUXFGWMYPRMES-LURJTMIESA-N	224.282	-0.932	50	10	BBGE	
CS(=O)(=O)NC1CN(C[C@H]2C[C@@H]2Cl)C1	1893119811	QWUFMWZRHLLNGF-SVRRBLITSA-N	238.740	-0.153	50	10	BBGE	
CON(C(=O)C=CC(=O)Cl)C1CNC1	1893405082	MFFPPFMDBJJPPL-UHFFFAOYSA-N	218.640	-0.330	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)[C@@H]1C[C@@H]1CF	1896704064	JRYBJQFSLXVYGB-RFZPGFLSSA-N	244.056	-0.633	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@@H]1CN	1901338929	FOIYIWVXCLNOGE-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
CC[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	1903006147	PKPQRYNFTVKPML-ZETCQYMHSA-N	226.060	-0.220	50	10	BBGE	
C=C=CCCN=c1cc(B(O)O)c(F)c[nH]1	1903009138	DIPLOGQWWBQWII-UHFFFAOYSA-N	222.028	-0.535	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1occc1B(O)O	1904901026	KUCLRMIKSNGTKF-IZLXSQMJSA-N	227.000	-0.810	50	10	BBGE	
COc1ccc(OC)c([C@H](N)B(O)O)c1	1912278049	QAAIFDOVEKDDIS-VIFPVBQESA-N	211.026	-0.284	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)N2CCC(O)(C#N)CC2)N1	1912838166	YUAZRWLBHMQJIJ-RKDXNWHRSA-N	223.276	-0.386	50	10	BBGE	
CCCN(C[C@H]1C[C@@H]1C(=O)NN)S(C)(=O)=O	1913828436	JCQCUXGTZOQAAP-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
N#Cc1ccc(C(=O)NCB(O)O)c(F)c1	1916412799	DPMCSXNPRCLJNT-UHFFFAOYSA-N	221.984	-0.561	50	10	BBGE	
CCn1c(C)nn(CC(C)(C)C(=O)NN)c1=O	1923074574	OKAANPCDKJTVLY-UHFFFAOYSA-N	241.295	-0.611	50	10	BBGE	
O=C(COC1CC1)NNC(=O)C(F)(F)F	1923408054	RTUJRZFYJWBTNM-UHFFFAOYSA-N	226.154	-0.125	50	10	BBGE	
CC(C)(C)OC(=O)NC1(C(=O)NNC=O)CC1	1923436617	ILYKCVLZOQKFLX-UHFFFAOYSA-N	243.263	-0.179	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCS(=O)(=O)CCO1	1928683370	LJLLMCPTOFPZMJ-LURJTMIESA-N	241.696	-0.198	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@@H](O)[C@H](F)C1	1929871597	FQVSRUXJBPETPK-PHDIDXHHSA-N	231.676	-0.430	50	10	BBGE	
O=S(=O)(NCB(O)O)C1[C@@H]2CCCC[C@@H]12	1931047684	QRXDCQOKNNWTMK-RNFRBKRXSA-N	233.098	-0.894	50	10	BBGE	
CC1(C)OCCC[C@@H]1NC(=O)C(=O)NN	1933160776	PDEHKQNNIOFJKR-LURJTMIESA-N	215.253	-0.950	50	10	BBGE	
CCN(C)[C@H]1CCN(CCC(=O)NN)C1	1933287451	PMRZPXFEDQGMDF-VIFPVBQESA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)C(=O)NC1C[C@@H]2CCC[C@H]2C1	1934804251	VOSMNCIRIWREHR-BQBZGAKWSA-N	211.265	-0.329	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC2(CC2)C1	1934845468	MJYBWFPPVXXMKT-SSDOTTSWSA-N	211.265	-0.327	50	10	BBGE	
C[C@]12CCO[C@H]1[C@H](N1CC(=O)OC(=O)C1)C2	1939197661	MNFCLIFIFDJAQU-PPKCKEKNSA-N	225.244	-0.061	50	10	BBGE	
CCOC[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941074087	OZAVPDRTMOXFOA-MXWKQRLJSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC12CCOCC2	1941083055	MFIZBUDGQVLBLO-VHSXEESVSA-N	239.319	-0.133	50	10	BBGE	
CC[C@H]1COC[C@H]1N(C)CCOCC(=O)NN	1941772229	GFQLLLMCHNLHRK-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
CC(C)(C)n1nnc([C@@H](N)[C@@H](O)C#N)n1	1953032212	XRSAALLJEHHULR-WDSKDSINSA-N	210.241	-0.688	50	10	BBGE	
CC(C)([C@H](Cl)C(N)=O)S(C)(=O)=O	1953377257	VFCKXTKJFILSAF-SCSAIBSYSA-N	213.686	-0.098	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(C(=O)CCl)C1	1954844276	ZUBMQJOOXIBDEE-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
CC1(C)C(=O)NCCN1C[C@@H](O)CCl	1956256254	LKAKPEZMNKMLNH-ZETCQYMHSA-N	220.700	-0.204	50	10	BBGE	
CCS(=O)(=O)C[C@]1(C)CC(=O)OC1=O	1956780784	FXFPQHKEWLUJDW-QMMMGPOBSA-N	220.246	-0.099	50	10	BBGE	
CC[C@H](O)CN(C)[C@H](C)[C@@H](C)C(=O)NN	1959516435	GNWZPUGMQCAPRQ-HLTSFMKQSA-N	217.313	-0.296	50	10	BBGE	
COCCOc1ccc(B(O)O)c(C)n1	1961695757	IQYONIDETCGOHI-UHFFFAOYSA-N	211.026	-0.905	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962120576	BKFZRYNVZXYENK-XVMARJQXSA-N	234.683	-0.380	50	10	BBGE	
O=C(C1[C@H]2CS(=O)(=O)C[C@H]12)N1CC(Cl)C1	1962303988	GGIUUXIZOCZASW-BQBZGAKWSA-N	249.719	-0.273	50	10	BBGE	
CN(C[C@H]1C[C@@H]1C(=O)NN)c1ccnn1C	1981561066	XSYDRCDGSYAFOT-SFYZADRCSA-N	223.280	-0.518	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@H]2C[C@@H](Cl)[C@H]1C2	1983569256	BODVJZVRRRNHOA-XLPZGREQSA-N	241.682	-0.099	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(CO)C2)C1	1985356917	JXAINAZAPDEIAV-SCZZXKLOSA-N	227.308	-0.683	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCn1ccnc1	1986445147	JXBYWZJWBKTLQE-RKDXNWHRSA-N	224.264	-0.474	50	10	BBGE	
CN1C[C@H](N(C)C(=O)NC(=O)CCl)CC1=O	1987941221	PRZQVEGHTGMDRV-ZCFIWIBFSA-N	247.682	-0.376	50	10	BBGE	
CN(C[C@@]1(O)CCOC1)C(=O)C=CC(=O)Cl	1991661364	AHPYUOOPOPNHAZ-JTQLQIEISA-N	247.678	-0.082	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCNC[C@H]1CO	1991717099	SJNOBFUDTUZOGT-PPYPBTKYSA-N	246.694	-0.605	50	10	BBGE	
C=C(CN1CCN(CC(F)F)CC1)B(O)O	1992146680	VOOYSLQAIBOVEZ-UHFFFAOYSA-N	234.055	-0.563	50	10	BBGE	
CC(C)N(O)C(=O)c1cccc(B(O)O)c1	1992835862	GYFUSYRPIMDWFH-UHFFFAOYSA-N	223.037	-0.394	50	10	BBGE	
C[C@H]1C[C@H](Oc2nc(B(O)O)cs2)CCO1	1994683747	NYLRGQJSLJBOIC-NKWVEPMBSA-N	243.093	-0.231	50	10	BBGE	
O=C(CC1CCC1)Nc1ccc(B(O)O)cn1	1996646465	DHNJIOLFNMJWJV-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
CN(Cc1ncoc1C1CC1)C(=O)C(=O)NN	1997724085	YQBMUZMPAZUJAN-UHFFFAOYSA-N	238.247	-0.500	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H]1c1noc(C)n1	1997766795	RUUDHEOJPOXCNT-JGVFFNPUSA-N	239.279	-0.107	50	10	BBGE	
CCCN([C@H]1CCNC1=O)[C@H](C)CC(=O)NN	2004312710	DFMNYGFBVFUIPY-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H](COCc1nc(C(=O)NN)co1)N(C)C	2007005199	HFISIRMVHHACGH-ZETCQYMHSA-N	242.279	-0.255	50	10	BBGE	
O=C(CC1COC1)Nc1ccc(B(O)O)cc1	2007653930	VDZJIFKNANBMGM-UHFFFAOYSA-N	235.048	-0.659	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC([N+](=O)[O-])C2)C1	2016889238	PRXPEHAPFUZRLU-HTQZYQBOSA-N	242.279	-0.647	50	10	BBGE	
Cc1cc(OCc2ccnn2C)ccc1B(O)O	2033258346	RIMPHTKSCBUKLN-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
NNC(=O)c1ccc(CN2C(=O)CCC2=O)cn1	2056638248	VNMKZGSOEIJEPG-UHFFFAOYSA-N	248.242	-0.666	50	10	BBGE	
Cc1nc(-n2ccnc2C(C)C)ncc1B(O)O	2065920412	XBSOSZJAYITFOW-UHFFFAOYSA-N	246.079	-0.226	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2c1ccc(B(O)O)cn1	2067368280	HCQKTQNHTDPMER-QWRGUYRKSA-N	247.107	-0.956	50	10	BBGE	
CN([C@H]1C[C@@H](O)C1)S(=O)(=O)CCl	2208979448	JFXKOYKFBASPPA-OLQVQODUSA-N	213.686	-0.032	50	10	BBGE	
CN(C)[C@@H]1CN(CCC(=O)NN)CC1(C)C	2211492778	GUPBEYRQGCUUQR-SECBINFHSA-N	228.340	-0.362	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3CC[C@@H]3C2)nc1	2217176097	RFNFZSBGANVDEI-MBTKJCJQSA-N	233.080	-0.243	50	10	BBGE	
CC(C)[C@H](N)COc1nccc(B(O)O)c1F	2217186758	ORMIFSHGYXFEBN-MRVPVSSYSA-N	242.059	-0.737	50	10	BBGE	
COC(C)(C)[C@@H](C)Nc1cc(B(O)O)ccn1	2217201028	NSHQMPBPBZSYHX-MRVPVSSYSA-N	238.096	-0.013	50	10	BBGE	
Nc1ccc(COc2ncccc2B(O)O)cc1	2223629775	YSIBFYQHLWZEPJ-UHFFFAOYSA-N	244.059	-0.077	50	10	BBGE	
C[C@@H]1CNC(C)(C)CN1c1ncccc1B(O)O	2223634641	NFTGQLJLIKGPPE-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
CN(C)C1(CNc2cc(B(O)O)ccn2)CCC1	2223638894	ZZESVGJRFRZDLF-UHFFFAOYSA-N	249.123	-0.342	50	10	BBGE	
CCCn1cc(Nc2ncc(B(O)O)cn2)cn1	2223665557	BWFHSXLOSOPJOL-UHFFFAOYSA-N	247.067	-0.494	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)nc1	2223668698	ZXRGDBWOYFORAJ-LJSJULFESA-N	243.075	-0.921	50	10	BBGE	
CC1(C)C[C@@H](N)CN(c2cc(B(O)O)ccn2)C1	2223672552	UFCLAMZOYNFCLM-SNVBAGLBSA-N	249.123	-0.675	50	10	BBGE	
Cc1cc(CN(C)c2ccc(B(O)O)cn2)on1	2223676654	DLHUKRRJWNMBOW-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
O=S(=O)(Nc1cc[nH]n1)N1CC(Cl)C1	2241348293	PQKJWTMCNIYHOI-UHFFFAOYSA-N	236.684	-0.011	50	10	BBGE	
CS(C)(=O)=NC(=O)C1CC(B(O)O)C1	2241480649	MSDKACOQVOYIBO-UHFFFAOYSA-N	219.071	-0.506	50	10	BBGE	
COCCNC(=O)C1(B(O)O)CCC1	2241481901	WQESCCDZJAIDAW-UHFFFAOYSA-N	201.031	-0.854	50	10	BBGE	
C#CCOCc1nsc(C(=O)NN)n1	2241628315	ZMBNIGDJZMIXDY-UHFFFAOYSA-N	212.234	-0.709	50	10	BBGE	
C[C@H](O)CN(CCN)C(=O)[C@@H]1C[C@@H]1Cl	2241675816	JLQDNPPQAYPOTL-RNJXMRFFSA-N	220.700	-0.218	50	10	BBGE	
CCCC1(OCCC(=O)NN)COC1	2242117515	FIVPVAFXILOYPM-UHFFFAOYSA-N	202.254	-0.048	50	10	BBGE	
CO[C@H](CO)CNS(=O)(=O)CCCCl	2242437858	FMKMUQLXPGTQFF-ZETCQYMHSA-N	245.728	-0.458	50	10	BBGE	
CC1=CCN(C(=O)c2cscc2B(O)O)C1	2243350139	WDAOBQAZQIKEMR-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
C[C@H](CCNC(=O)C#CB(O)O)C(F)(F)F	2243361714	GCIFNKDYSUULNP-ZCFIWIBFSA-N	236.986	-0.294	50	10	BBGE	
O=C(NC[C@@H]1CCCNC1)C1(B(O)O)CC1	2243365056	HLEZYBSIOJGVHE-MRVPVSSYSA-N	226.085	-0.891	50	10	BBGE	
C[C@H](CCCO)CNC(=O)C1(B(O)O)CC1	2243365775	RYEXJECBZQBAJJ-MRVPVSSYSA-N	229.085	-0.482	50	10	BBGE	
O=C(Nc1nccnn1)[C@H]1C[C@H](B(O)O)C1	2243391908	OPNFYMKGXFWEFK-IZLXSQMJSA-N	222.013	-0.937	50	10	BBGE	
CCC(O)(CC)CNC(=O)[C@H]1C[C@H]1B(O)O	2243395962	FJTLTWJEMZDNPD-JGVFFNPUSA-N	229.085	-0.483	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2[C@H](C1)C2(F)F	2243401630	UWXAZAGUPQAHCF-BQBZGAKWSA-N	228.991	-0.838	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1csc(B(O)O)c1	2243407763	ZLIKBWASUNTEHH-MRVPVSSYSA-N	237.089	-0.431	50	10	BBGE	
O=C(NCCCOC(F)F)[C@@H]1C[C@@H]1B(O)O	2243427063	PQAOQEALPRSUKE-RITPCOANSA-N	237.011	-0.405	50	10	BBGE	
CCONC(=O)Nc1cccc(B(O)O)c1	2243452286	JUBCYCMMBYDQSE-UHFFFAOYSA-N	224.025	-0.561	50	10	BBGE	
Cc1nc(CC(=O)NCC#CB(O)O)cs1	2243685773	BBJLTEJTHFNXMR-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
CC[C@@H](CCO)Sc1ncc(B(O)O)cn1	2245256871	JEIUGNBESAATEZ-QMMMGPOBSA-N	242.109	-0.591	50	10	BBGE	
C#CCN(OC)c1cc(B(O)O)c(Cl)cn1	2245912557	CCOSEOMAKKUQRV-UHFFFAOYSA-N	240.455	-0.584	50	10	BBGE	
COCC(C)(C)NC(=O)c1occc1B(O)O	2247756103	RJGXMSBAJFATIG-UHFFFAOYSA-N	241.052	-0.886	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)N(C(=O)C2(B(O)O)CC2)C1	2247756555	MXDHUUVHZCWNML-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)C1(B(O)O)CC1	2247758057	SHHWQLWYZKDOPS-RKDXNWHRSA-N	241.096	-0.197	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)C2(B(O)O)CCC2)CCN1	2247759018	YFBFVBAKCZZYLH-BDAKNGLRSA-N	240.112	-0.360	50	10	BBGE	
O=C(NC1([C@@H]2CCCO2)CC1)[C@H]1C[C@H]1B(O)O	2247793693	ZJQVHXMQBISVSO-YIZRAAEISA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)[C@H]1C[C@@H](B(O)O)C1	2247793741	ZOTWLOGQNBTXLA-URESZAIDSA-N	239.080	-0.467	50	10	BBGE	
N#Cc1cnc(NC(=O)[C@H]2C[C@@H]2B(O)O)cn1	2247800638	RBZJROZKOKLFER-BQBZGAKWSA-N	232.008	-0.850	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CCO1	2247805167	JRRRLLNUCWFRRC-GUBZILKMSA-N	241.096	-0.267	50	10	BBGE	
CC(C)(CO)CCNC(=O)C1CC(B(O)O)C1	2247806920	OXYYDOOFNUFVKG-UHFFFAOYSA-N	243.112	-0.236	50	10	BBGE	
NCc1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cc1	2247806930	PAGMWCOKDVFKPS-NXEZZACHSA-N	234.064	-0.053	50	10	BBGE	
CC[C@@H]1CCNC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247807614	RGUURIYXTIFBOG-KYXWUPHJSA-N	240.112	-0.646	50	10	BBGE	
CC1(C)COCC[C@@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2247809964	SQEJQHNDUIRXKS-YIZRAAEISA-N	241.096	-0.219	50	10	BBGE	
C[C@H]1NCCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247851571	GTDMNNYKNKYSGM-DOLQZWNJSA-N	240.112	-0.504	50	10	BBGE	
CC1(C)CC(CO)(NC(=O)[C@H]2C[C@H]2B(O)O)C1	2247859743	ORPJROALXBULPL-JGVFFNPUSA-N	241.096	-0.483	50	10	BBGE	
N[C@H]1CCCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247860557	YGIZALCYMWGDQB-GUBZILKMSA-N	240.112	-0.421	50	10	BBGE	
CCON(CC)C(=O)c1ncccc1B(O)O	2247866838	TWYWZZNKPLBXHC-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
CC(C)(C)ONC(=O)c1ccncc1B(O)O	2247871859	IKYYLUZPIVJULJ-UHFFFAOYSA-N	238.052	-0.779	50	10	BBGE	
O=C(NC1(C(F)F)CC1)c1coc(B(O)O)c1	2247875236	WYONDKSGHMUEHP-UHFFFAOYSA-N	244.990	-0.513	50	10	BBGE	
C[C@@H]1C[C@H](CN)CN1C(=O)C1(B(O)O)CCC1	2247876999	AGQABUHKDLQSNT-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CCN	2247886415	BIYCHONMOBOENV-KYXWUPHJSA-N	240.112	-0.707	50	10	BBGE	
CCC1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)COC1	2247894003	BGEZTABBWYZNTN-KYZUINATSA-N	241.096	-0.218	50	10	BBGE	
CC#CCNC(=O)Nc1ccc(B(O)O)cc1	2247970183	HFUPCRZJCVWQOD-UHFFFAOYSA-N	232.048	-0.489	50	10	BBGE	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248575963	DRUMIJPJQRQSHE-YWIQKCBGSA-N	243.068	-0.535	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1C(=O)O)[C@H]1C[C@H]1B(O)O	2248585728	PTPGDCOOGPEVCC-CWKFCGSDSA-N	241.052	-0.781	50	10	BBGE	
CC(C)(CN1CCC[C@H]1CC(N)=O)C(=O)NN	2249305265	HJZVSPXFYJUVKR-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cc(B(O)O)co1	2249415960	LBHVZOGDGRISEK-SRSLHRDFSA-N	235.048	-0.512	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C[C@@H]1C[C@H]1C(=O)NN	2250964836	YFFYNHKHANRYTA-OUAUKWLOSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3ccoc3B(O)O)C[C@@H]21	2255473548	MRXUEPOYSROUNX-NQMVMOMDSA-N	249.075	-0.313	50	10	BBGE	
CC#CCN(C)C(=O)c1nc(C)ccc1B(O)O	2255489679	WZEMJUAEMOVHDT-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
O=C(NCCCc1ccccn1)[C@@H]1C[C@H]1B(O)O	2255565962	WTETWYBLVSOIFO-GHMZBOCLSA-N	248.091	-0.007	50	10	BBGE	
CC1(C)C[C@H]1CNC(=O)c1ncccc1B(O)O	2255711054	UDTNZNXMOFBYKE-QMMMGPOBSA-N	248.091	-0.463	50	10	BBGE	
C=CC1(NC(=O)c2nc(C)ccc2B(O)O)CC1	2255725799	QAVDCCXCYMZJIG-UHFFFAOYSA-N	246.075	-0.482	50	10	BBGE	
C#CCN(CC#CC)C(=O)c1coc(B(O)O)c1	2255726852	HXOBDNGYDHVBEP-UHFFFAOYSA-N	245.043	-0.942	50	10	BBGE	
CCC[C@@]1(NC(=O)[C@@H]2C[C@@H]2B(O)O)CCNC1	2298375264	CCMHXDHWNLFQSU-WCABBAIRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCN)Oc1ccc(B(O)O)cc1C#N	2301340397	DMWNTDODEZTFTJ-MRVPVSSYSA-N	234.064	-0.646	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H]1N	2301346142	NRNIGQLLWZJKHG-KOLCDFICSA-N	231.064	-0.860	50	10	BBGE	
N#CC1(F)CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2301431003	MIBDPHTYRRPVGH-DTWKUNHWSA-N	240.282	-0.060	50	10	BBGE	
CC(C)=C(CN1C[C@@H]2OCCO[C@@H]2C1)B(O)O	2301851371	XHPQONKBVNARTD-PHIMTYICSA-N	241.096	-0.566	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2[C@@H]3CCO[C@@H]32)C1	2303105964	RLFPVBACAGDIMA-KBIXCLLPSA-N	239.080	-0.513	50	10	BBGE	
C[C@]12C[C@H](C1)[C@@H](Nc1ncccc1B(O)O)CO2	2315939369	SWTPMNBXAURVHC-PTOFAABTSA-N	248.091	-0.259	50	10	BBGE	
C[C@H](Cc1cccs1)NC(=O)C(=O)NN	70852740	BICFAQSYTJLNKL-ZCFIWIBFSA-N	227.289	-0.215	50	10	BBGE	
C/C(NCCN1CCOCC1)=C(/C#N)C(N)=O	109310482	PNZMCJKILUZHPH-MDZDMXLPSA-N	238.291	-0.809	50	10	BBGE	
CCOC(=O)/C(C#N)=C1\NC(=O)[C@H](C)N1	140605983	WJKZAPHSOKQRTG-KIYVOPAJSA-N	209.205	-0.607	50	10	BBGE	
COCOCc1cc(C)cc(B(O)O)c1OC	195879870	VKZFNCFTJYLGLJ-UHFFFAOYSA-N	240.064	-0.196	50	10	BBGE	
COc1cc(B(O)O)cc(Br)n1	200974863	SAZQSELUOQERCY-UHFFFAOYSA-N	231.842	-0.468	50	10	BBGE	
C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCl	232299645	ALXBRLWCLWGUBG-ZCFIWIBFSA-N	240.712	-0.625	50	10	BBGE	
COCCOC(=O)COC(=O)CCl	238352397	XCANDVNHIDPCPS-UHFFFAOYSA-N	210.613	-0.042	50	10	BBGE	
OB(O)c1cc(C(F)(F)F)cnc1O	238616348	PNUIERHMBVDOII-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](C)(O)C1	253079488	UQNRTPIFJDNDMQ-WPRPVWTQSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H]1COCCCN1[C@H](C)C(=O)NN	306628693	BXQIHDZFLGBTQK-HTQZYQBOSA-N	201.270	-0.524	50	10	BBGE	
Cc1nc(B(O)O)ccc1Br	307008399	MIPFBRGKFUOLLF-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
CS(=O)(=O)CC(=O)N[C@H]1COC[C@H]1Cl	307041953	LJFMXDALMLEFHF-RITPCOANSA-N	241.696	-0.847	50	10	BBGE	
CCOC(=O)C[C@H](Cl)[C@@H](N)C(=O)NO	308488178	OHARTBBRCGNTSP-UJURSFKZSA-N	224.644	-0.620	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(CN)C1	309044617	MEGQMMGGKQLOBS-SCZZXKLOSA-N	214.313	-0.574	50	10	BBGE	
OB(O)c1cccc(OCCN2CCC2)c1	380857674	YWVFTOHGKFEWPG-UHFFFAOYSA-N	221.065	-0.549	50	10	BBGE	
CCOC(C)=NNC(=O)c1c[nH][nH]c1=N	383972672	PDGOQLAGYSXNFJ-UHFFFAOYSA-N	211.225	-0.078	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](O)C(C)(C)C1	388082732	BQWMGDOORQTOON-BDAKNGLRSA-N	229.324	-0.296	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)C[S@](C)=O	388793986	MQIDYLUJEOEYOL-GMAUIZIOSA-N	206.267	-0.832	50	10	BBGE	
O=Cc1cc(B(O)O)c2sccc2c1CO	396334188	ISEASUAHAJOQQY-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
CO[C@@]1(CO)CCN(C[C@@H](O)CCl)C1	401968981	JCOBHHQMWNUANU-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2COC[C@H]2C1	690710570	GDVHSGQGFKHRNV-HRDYMLBCSA-N	213.281	-0.667	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@H](C)O)C(C)C	692175773	QHKFHHVUQWUWQZ-DTWKUNHWSA-N	233.312	-0.918	50	10	BBGE	
OB(O)c1cncc(OCc2cnccn2)c1	693540058	CVVZTHGITMCJFT-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
CN1CCN(C2CN(C(=O)CCl)C2)CC1	697954477	SZIFNBCBWWAEGW-UHFFFAOYSA-N	231.727	-0.317	50	10	BBGE	
OB(O)c1cnn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1	698020088	YYPCXIMYBGTJRQ-AYMMMOKOSA-N	206.054	-0.391	50	10	BBGE	
CC1CC(C(=O)Nc2cc(B(O)O)ccn2)C1	700801758	AUGSVHMDGRVUQG-UHFFFAOYSA-N	234.064	-0.254	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2CC[C@@H](C2)C1	703894722	LSKQQVVDDUASRW-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H]1C1CC1	706684300	WZAGVJYTPDYGCJ-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707346410	IWPKBRUBTISJEC-ONGXEEELSA-N	243.307	-0.896	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H]1C(C)(C)O	707559066	SKEQQOQFOGCTSM-BDAKNGLRSA-N	229.324	-0.010	50	10	BBGE	
C[N+]1=C(CN[S@@+]([O])(=O)CCl)N=NC1	725594503	JZBKSQTWSQPANY-CYBMUJFWSA-N	225.681	-0.004	50	10	BBGE	
Cc1nc(Cl)cc(NNC(=O)CC(N)=O)n1	769999952	FUEBGZHUQUIFLG-UHFFFAOYSA-N	243.654	-0.243	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12	800378342	GYYFPFWIBSVZIU-AIZWHROUSA-N	246.266	-0.519	50	10	BBGE	
CCC(C)(C)[C@H](O)C(=O)N1CC[C@@H](B(O)O)C1	902551643	GSUQRDNQSDBAKM-RKDXNWHRSA-N	243.112	-0.141	50	10	BBGE	
CNC(=O)NNC(=O)c1nccc(C)n1	1116869791	IPQMWGUDNOIUIM-UHFFFAOYSA-N	209.209	-0.641	50	10	BBGE	
C[C@H](C(=O)NNC(=O)c1ncon1)n1cccc1	1179588081	BASITTGIUNPSMN-SSDOTTSWSA-N	249.230	-0.107	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C#N)ccn1	1340104409	GGOJEOOHLASVRQ-UHFFFAOYSA-N	219.204	-0.473	50	10	BBGE	
CN(C)C(=O)NNC(=O)C[C@H]1COC(=O)C1	1442471400	KMHKPMINNUOBNS-ZCFIWIBFSA-N	229.236	-0.758	50	10	BBGE	
CNC(=S)N(C)NC(=O)c1ccc(O)nn1	1450902333	MKXSXIBQMVMURK-UHFFFAOYSA-N	241.276	-0.737	50	10	BBGE	
Cc1nnc(CCC(=O)NN(C)C[C@H](C)O)o1	1450940556	GKHSVWRTKAMCDV-ZETCQYMHSA-N	242.279	-0.346	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)N(C)C	1597966147	MSXPKLHGSODWCN-UHFFFAOYSA-N	225.252	-0.355	50	10	BBGE	
CC(=O)NNC(=O)COc1ccsn1	1623586382	UATKRPOWGGQSJF-UHFFFAOYSA-N	215.234	-0.311	50	10	BBGE	
COC(=O)NNC(=O)C[C@H]1C=CS(=O)(=O)C1	1654143465	MTJXDFQHWSCQPF-ZCFIWIBFSA-N	248.260	-0.678	50	10	BBGE	
CS(=O)(=O)[C@@H]1COC[C@H]1NC(=O)Cl	1878153709	SFIHEWFUNMGNEF-RFZPGFLSSA-N	227.669	-0.253	50	10	BBGE	
COC(=O)[C@H](CN)NC1CC(Cl)C1	1881718529	HHSAODLGWPTPCG-AHXFUIDQSA-N	206.673	-0.154	50	10	BBGE	
CN(C[C@H](O)CN)C(=O)[C@H]1C[C@H]1Cl	1883646121	VXVIMHBILMPNQM-DSYKOEDSSA-N	206.673	-0.608	50	10	BBGE	
CSCC12CC(C(=O)NN)(CO1)C2	1884037790	RYYOYCOGLMPZQF-UHFFFAOYSA-N	202.279	-0.112	50	10	BBGE	
C[C@H]1C[C@@]1(NC(=O)NN(C)C)C(=O)O	1885136041	VZFHKVHPYAIGJQ-XNCJUZBTSA-N	201.226	-0.375	50	10	BBGE	
NNC(=O)C1(CS[C@@H]2CC[C@@H]2N)CC1	1887471094	DYPBEHVUKJHKQH-NKWVEPMBSA-N	215.322	-0.021	50	10	BBGE	
CS[C@H]1C[C@@H](CNC(=O)C(=O)NN)C1	1888345309	BJQUSSHOLWAOON-OLQVQODUSA-N	217.294	-0.766	50	10	BBGE	
C[C@](O)(CCO)CNC(=O)[C@H]1C[C@H]1Cl	1893474813	NIFAMYTVLJWGGC-OOZYFLPDSA-N	221.684	-0.137	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CC(C)(C)C1=O	1894126145	RZHQCHOVTSGAIO-LURJTMIESA-N	227.264	-0.460	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)CC(=O)NN)C[C@@H]21	1896550721	BTAMXJQWJKJZRE-AATLWQCWSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](N)CSC[C@]12C[C@](C(=O)NN)(CO1)C2	1897833693	WTCGHGXGKCNPQF-HGNGGELXSA-N	245.348	-0.394	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cnsc1B(O)O	1900475819	ZJZBSBFKSGWZGR-ZCFIWIBFSA-N	240.093	-0.483	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC2(CC2)N1)S(C)(=O)=O	1901373712	OBWVPUZCHTZWRI-ZETCQYMHSA-N	247.320	-0.806	50	10	BBGE	
CCS(=O)(=O)CCN1CC[C@](C)(B(O)O)C1	1902517783	LNKBUSDOZCJYNT-VIFPVBQESA-N	249.141	-0.640	50	10	BBGE	
CC[C@@](C)(Cn1cnc(C#N)n1)C(=O)NN	1902719637	HWGCHWXBGAVBQK-VIFPVBQESA-N	222.252	-0.444	50	10	BBGE	
CC#CCCN=c1cc(B(O)O)c(F)c[nH]1	1903006336	ROAITOZLRUJZKT-UHFFFAOYSA-N	222.028	-0.852	50	10	BBGE	
C[C@@H](CN(C)C)N(C)c1nc(B(O)O)cs1	1904702601	SQAWCYSQSAIXHN-ZETCQYMHSA-N	243.141	-0.791	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](C)CN(C)C	1904707456	HNSLSMKXXWKFKM-UWVGGRQHSA-N	230.356	-0.117	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCC1=CCCOC1	1905025927	KIDNMPDYLDHIFC-ZJUUUORDSA-N	226.276	-0.024	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN=S1(=O)CCC1	1913869874	LBKCDEOCEIHBCC-NKWVEPMBSA-N	217.294	-0.516	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]1C(F)(F)F	1916175892	ZDUFJVBVYNKYQV-VKHMYHEASA-N	211.143	-0.861	50	10	BBGE	
NNC(=O)c1ncc(CN2CC(F)C2)s1	1917254629	BHIYTNJIRONCMF-UHFFFAOYSA-N	230.268	-0.100	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@@H]1CCOC1	1927814766	OZVGCSGCHSYZDG-ZCFIWIBFSA-N	224.207	-0.335	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1CCl)c1cnn[nH]1	1928740630	HHURNUGOVANZPP-VDTYLAMSSA-N	230.655	-0.212	50	10	BBGE	
C[C@@H]1CN(CC(=O)NN)[C@H](C)C[C@H]1O	1930115807	KRACKIAIIQLFOC-BWZBUEFSSA-N	201.270	-0.933	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)CC1(C)C	1930244542	ZKMTXLCUXDDWPR-QMMMGPOBSA-N	215.297	-0.277	50	10	BBGE	
Cc1nc(C)n(CC2(C(=O)NN)CC2)n1	1931269801	VZSZTEULGLKVMH-UHFFFAOYSA-N	209.253	-0.335	50	10	BBGE	
C[C@@](O)(CO)CN1C[C@@](C)(CCl)C1=O	1931735787	FKOKLAYGIWNWNQ-BDAKNGLRSA-N	221.684	-0.183	50	10	BBGE	
NNC(=O)CCCN1CC(CCO)C1	1932107877	JMLGDSLJCUXONI-UHFFFAOYSA-N	201.270	-0.929	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCCN2CCOCC2)C1	1937205310	UNYKIFZHNIIBRD-GHMZBOCLSA-N	247.770	-0.170	50	10	BBGE	
COCC1(CNC(=O)C(=O)NN)CCCC1	1937884551	XXKBAJUORHAGJG-UHFFFAOYSA-N	229.280	-0.701	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@@H](O)CC2(CCC2)C1	1938364375	DIBMHTGZOICJKZ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
COC[C@]1(OC)CCN([C@@H](C)C(=O)NN)C1	1938620120	FAQBYFLMNPCBPT-WPRPVWTQSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H]1OC2(C)CC1(CNC(=O)C(=O)NN)C2	1939694843	XWRLRFZGVYAQOS-OUBRSPPYSA-N	227.264	-0.950	50	10	BBGE	
CCC[C@H](OCCO[C@H]1CCOC1)C(=O)NN	1940246786	UPVPHISGFXBGBX-UWVGGRQHSA-N	246.307	-0.033	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CC[C@@H]2O	1941288804	RLTVBJUCVXCMET-LXUNUROVSA-N	241.335	-0.154	50	10	BBGE	
COC(=O)c1ccc([C@H](N)[C@H](O)C#N)n1C	1953052513	XSMKMHOMEQHVGJ-BDAKNGLRSA-N	223.232	-0.304	50	10	BBGE	
CN(C)C[C@@H]1CCN1CCC(=O)NN	1955567563	CYKNKNGMIPBVGR-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
N#CC1CN(S(=O)(=O)N2CC(Cl)C2)C1	1956900209	IFFWQIZOPFTAQZ-UHFFFAOYSA-N	235.696	-0.390	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281408	QXCBSPOLVPASOG-VWDOSNQTSA-N	237.708	-0.227	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC[C@@H]2C[C@@H]2C1	1958455774	YYERXVQGSYIHDT-IMSYWVGJSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@@H]1C(F)(F)F	1958527152	LFHOJDZBWWMEKX-DMTCNVIQSA-N	225.170	-0.709	50	10	BBGE	
CN(CC(F)F)c1ncccc1B(O)O	1961693761	DIWPVKJCCBFEFN-UHFFFAOYSA-N	215.996	-0.537	50	10	BBGE	
OB(O)c1cnc(-n2ccnc2)c(F)c1	1961723671	NSUYBXOKATURFU-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)c1ccnn1C	1961788946	JAAXBZXLGNCIBB-SSDOTTSWSA-N	211.269	-0.375	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccc(B(O)O)cc1	1965236094	CYDOLUFVCOPNPG-UHFFFAOYSA-N	237.039	-0.402	50	10	BBGE	
CC1(CC(=O)N[C@H](CB(O)O)C(=O)O)CC1	1976988540	HDTPBDRVLPTZIJ-ZCFIWIBFSA-N	229.041	-0.781	50	10	BBGE	
CC1(C)C(=O)NC(=O)CN1CCOCCCl	1978820538	RDEAWUROTCBNFU-UHFFFAOYSA-N	248.710	-0.021	50	10	BBGE	
OB(O)c1ccn(C[C@H]2[C@H]3CCCC[C@H]32)n1	1979760669	VYPJUSSVOJLJIS-ILWJIGKKSA-N	220.081	-0.001	50	10	BBGE	
CC[C@H](O)[C@@H]1CCCCN1[C@H](C)C(=O)NN	1980857237	ZFIDQIJJGVHWMK-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
CN(CCC1CC1)c1ncc(B(O)O)cn1	1981410339	YLONDCCGSNHCCS-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
COCCCOc1cc(C)c(B(O)O)cn1	1981421801	FREFPBOPLFSRJK-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
CCC[C@H](C)COc1ncc(B(O)O)cn1	1981430189	MHXGTTBMFCWUBM-QMMMGPOBSA-N	224.069	-0.029	50	10	BBGE	
Cc1ncnc(N(C)[C@@H]2C[C@@H]2C)c1B(O)O	1981531019	SPLVBBJZNVDSHE-POYBYMJQSA-N	221.069	-0.691	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H](CCO)C(F)(F)F	1984132842	VKRBDQRTXHKVIR-WDSKDSINSA-N	243.229	-0.390	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1CCC(F)(F)C(=O)NN	1985571745	MFRXBAALONQTQJ-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
OB(O)c1cc(F)cnc1OC1CC=CC1	1988004455	GJCFLVTWCVDBPD-UHFFFAOYSA-N	223.012	-0.002	50	10	BBGE	
COC[C@@H]1CNCCN1C(=O)C=CC(=O)Cl	1991648477	OYYNUPJAEJMQQH-QMMMGPOBSA-N	246.694	-0.245	50	10	BBGE	
N=C(NO)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1Cl	1991694535	UNTKQDXYKZAJAL-VQVTYTSYSA-N	247.682	-0.203	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CO[C@H]2CNC[C@@H]12	1991709124	FIWMWDIAUREKGU-CROXQLKHSA-N	244.678	-0.589	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@@H]1C[C@@H](O)CCO1	1991714809	LQZBLHCUVBYBNX-HIQWKFPQSA-N	247.678	-0.036	50	10	BBGE	
C=C(CN1C[C@H](C)N(CC)[C@@H](C)C1)B(O)O	1992160394	WEUBCHHJNQWWPV-QWRGUYRKSA-N	226.129	-0.031	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CC[C@@H]1CO	2001930906	VEDXOZPKVDWXPO-WCBMZHEXSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1c1ccncc1	2004372592	NQHCZMYUCWRARH-SECBINFHSA-N	234.259	-0.265	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1ccc(B(O)O)cn1	2004918241	JFUOUSDLZDVCTM-SECBINFHSA-N	232.092	-0.002	50	10	BBGE	
CON(CC(C)C)c1ncnc(C)c1B(O)O	2004972632	IJPUINOSFRDYRZ-UHFFFAOYSA-N	239.084	-0.511	50	10	BBGE	
COCCCCOc1cc(C)c(B(O)O)cn1	2014224989	NXXYUDPVYKENFM-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CCC[C@@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	2022543404	GQTZGQUHJQSDLJ-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
COCC12CC(N3CC(=O)OC(=O)C3)(CO1)C2	2025542091	DYISSCLEBAJCCK-UHFFFAOYSA-N	241.243	-0.680	50	10	BBGE	
Cn1cc(C(=O)N2CCC(O)(C#N)CC2)c(=N)[nH]1	2027206687	AEIUKLRKPSRVTL-UHFFFAOYSA-N	249.274	-0.677	50	10	BBGE	
Cc1nc(N2CCCCC23CC3)ncc1B(O)O	2052557898	RREWSPIOFSZQMK-UHFFFAOYSA-N	247.107	-0.012	50	10	BBGE	
CCOc1c(C)ccc(C=O)c1B(O)O	2060146471	RHGQAOBJYQYOBT-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCc1cc(C=O)c(B(O)O)c(OC)c1	2060164518	IFYIYIVGSXWJOR-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
CCOc1ccc(C#N)c(B(O)O)c1C	2060204282	WUJBAJLZDHPJTN-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CN(Cc1ccc(B(O)O)cc1)C[C@H]1CCN1C	2066392773	NLMCLTPLTGWWNL-CYBMUJFWSA-N	248.135	-0.498	50	10	BBGE	
OB(O)c1cnc(O[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)nc1	2086995912	UXBPAVHULSZRIG-PICOPQHESA-N	244.059	-0.955	50	10	BBGE	
C[C@@H](N)CN(C)Cc1cccc(B(O)O)c1	2211131824	DFXONQQUAVHSQC-SECBINFHSA-N	222.097	-0.855	50	10	BBGE	
CN1CCC[C@H]1COCCOCC(=O)NN	2211855222	ZYDZXLVXTJSMNI-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC1(N)CC(Nc2ccc(B(O)O)cn2)C1	2212602453	DTUZBLAWQDJQPU-UHFFFAOYSA-N	221.069	-0.947	50	10	BBGE	
C=CC=CCCn1cc(B(O)O)cnc1=O	2212715311	KQLABGYHOWPNMZ-UHFFFAOYSA-N	220.037	-0.945	50	10	BBGE	
OB(O)c1ccc(=NC[C@H]2C[C@@H]2C(F)F)[nH]c1	2217171861	GAVOQPQQSBZAHX-SVRRBLITSA-N	242.034	-0.504	50	10	BBGE	
C=CCC1(C)CN(c2ncc(B(O)O)cn2)C1	2217174486	ZVJWNJMCGRHWTM-UHFFFAOYSA-N	233.080	-0.441	50	10	BBGE	
COC[C@H](Nc1cc(B(O)O)ccn1)C(C)C	2217175812	NPRJVGSTJTWNGO-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCO2)cc1B(O)O	2217184974	XGGIPEGMGFSXOC-SECBINFHSA-N	236.080	-0.339	50	10	BBGE	
N[C@@H]1CCC[C@H](Oc2ncccc2B(O)O)C1	2217185450	XPHOXTCGUGGMBA-BDAKNGLRSA-N	236.080	-0.590	50	10	BBGE	
CCOCC1CN(c2cc(B(O)O)ccn2)C1	2217198509	BZECUEFSSMHOGU-UHFFFAOYSA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cccc(CN2[C@H]3CC[C@@H]2CNC3)c1	2220056751	FFMMWROLGZOFPR-BETUJISGSA-N	246.119	-0.697	50	10	BBGE	
Cc1cn(C)nc1CNc1ncccc1B(O)O	2223625329	DFYJITOBOZZGQL-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
Cc1noc(CN(C)c2cc(B(O)O)ccn2)n1	2223632271	HQRLTJGPUBZUQF-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
NCCC1CCN(c2ccc(B(O)O)cn2)CC1	2223633023	QXAWKOAZRBMEQG-UHFFFAOYSA-N	249.123	-0.673	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2NCC[C@@H]12	2223667245	QZZGMBVRSSLIIH-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1ncnn1C	2223674692	RBRARKWDKZXTQM-ZETCQYMHSA-N	247.067	-0.937	50	10	BBGE	
CCC[C@@H]1CNCCN1c1cc(B(O)O)ccn1	2223855601	ZAZLAFGNXPLPKA-LLVKDONJSA-N	249.123	-0.660	50	10	BBGE	
CN(CC(F)F)C(=O)[C@H]1C[C@H]1B(O)O	2241495711	LUSNMAVZDROFOL-CRCLSJGQSA-N	206.985	-0.427	50	10	BBGE	
CN(C(=O)NN)[C@@H]1COC2(COC2)C1	2241847890	XMYNTQQJGHCPQC-LURJTMIESA-N	201.226	-0.941	50	10	BBGE	
CCC[C@H](C)NC(=O)c1coc(B(O)O)c1	2243346979	GGFVSXPLRADVFD-ZETCQYMHSA-N	225.053	-0.122	50	10	BBGE	
C[C@H]1CCC[C@H](C)N1NC(=O)C#CB(O)O	2243356084	BEQWPDCMKFYTOV-IUCAKERBSA-N	224.069	-0.704	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)C(=O)C1(B(O)O)CC1	2243365920	UYMAOCNXSZMVND-YUMQZZPRSA-N	227.069	-0.777	50	10	BBGE	
Cc1cc(C(=O)NCC(F)F)c(B(O)O)s1	2243378150	NNTYPRLGMULRCN-UHFFFAOYSA-N	249.047	-0.269	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC2(CC2)C1	2243386282	XOJKUBTUHONTTR-UHFFFAOYSA-N	237.089	-0.336	50	10	BBGE	
CC(C)[C@H](O)CCNC(=O)[C@H]1C[C@H]1B(O)O	2243391653	MVAFXJCIUJFPAH-DJLDLDEBSA-N	229.085	-0.628	50	10	BBGE	
CCN(CC)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243396695	PPXSLAOSWOEFOP-IUCAKERBSA-N	228.101	-0.693	50	10	BBGE	
Cc1nc(=NC(=O)C2(B(O)O)CCC2)o[nH]1	2243410248	XUVGUVHKRLYHFJ-UHFFFAOYSA-N	225.013	-0.864	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(c2nncs2)C1	2244052545	XCJRYKBXTXEMPI-ZETCQYMHSA-N	241.320	-0.294	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cc(B(O)O)co1	2244205769	NEFXRVKTZXDXNY-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
C[C@H](CN1C[C@@H]2C[C@H](C1)[C@]2(C)O)C(=O)NN	2244310023	CFIWOJVCAIIJJG-REIXXSIJSA-N	227.308	-0.685	50	10	BBGE	
NNC(=O)C1(COCC23CC(CO2)C3)CC1	2245240395	OACOESSZTIURJA-UHFFFAOYSA-N	226.276	-0.048	50	10	BBGE	
CCCC1(N)CCN(C(=O)C#CB(O)O)CC1	2247742970	WWTZHXHRNNKDKV-UHFFFAOYSA-N	238.096	-0.878	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1cc(B(O)O)c[nH]1	2247747941	VHHRDOLTBMBQNB-LHLIQPBNSA-N	240.043	-0.828	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N[C@@H]1C[C@H]1C	2247760549	JXQQKXOXBDPCQI-PSASIEDQSA-N	233.076	-0.187	50	10	BBGE	
CCC1CN(C(=O)c2ncccc2B(O)O)C1	2247772519	VZQYVYSBCARBKQ-UHFFFAOYSA-N	234.064	-0.757	50	10	BBGE	
C[C@]1(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCC[C@@H]1O	2247786201	XMTVOSXCOIOZCE-DKIAZLNASA-N	241.096	-0.341	50	10	BBGE	
O=C(Nc1noc(C2CC2)n1)[C@@H]1C[C@H]1B(O)O	2247797764	MPMIGPOYLOIKEH-PHDIDXHHSA-N	237.024	-0.252	50	10	BBGE	
O=C(NC[C@@H]1CCCCCO1)[C@H]1C[C@H]1B(O)O	2247798958	YOGPUEIAUSHLOO-LPEHRKFASA-N	241.096	-0.075	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2)[C@@H]1C[C@H]1B(O)O	2247800647	RCGDWKNFTGCDAL-SRQGCSHVSA-N	238.096	-0.894	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	2247851880	LOIWNQVQFQERBK-NAKRPEOUSA-N	233.076	-0.494	50	10	BBGE	
C=C1CC(NC(=O)c2cc(C)c(B(O)O)o2)C1	2247875915	FMXKFVPCOXOKMG-UHFFFAOYSA-N	235.048	-0.284	50	10	BBGE	
CC=CCNC(=O)c1cc(B(O)O)ccc1O	2248034201	XWJISBYZGWRUPF-UHFFFAOYSA-N	235.048	-0.622	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@H]2C=C[C@H]1CC2	2248420190	PAIFLBQLTKVYHT-DCAQKATOSA-N	233.076	-0.280	50	10	BBGE	
C[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(C)(C)C(=O)O	2248587235	NKWDCBYQYHMVJD-FSDSQADBSA-N	243.068	-0.535	50	10	BBGE	
COC[C@]1(C)C[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2248717456	SQUOAARIZDIAJF-LOKLDPHHSA-N	241.096	-0.362	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)cc1OC	2255499557	BTLHLZUBMDJJBE-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)N1C(=O)C[C@@H]1C	2255510036	RQFKIDPTAKXKMP-QMMMGPOBSA-N	247.059	-0.564	50	10	BBGE	
C=C[C@H](C)NC(=O)c1ccc(B(O)O)c(OC)c1	2255554334	LFQVZMCNVIWTPQ-QMMMGPOBSA-N	249.075	-0.321	50	10	BBGE	
O=C(NCc1cccc(CO)c1)[C@@H]1C[C@H]1B(O)O	2255567906	GXVGDBBAADTHAT-GHMZBOCLSA-N	249.075	-0.342	50	10	BBGE	
C#CC(C)(C)NC(=O)c1ccc(B(O)O)cc1C	2255682217	DBCYIDGRHLFYHA-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
O=C(N=c1cco[nH]1)c1ccc(B(O)O)cc1F	2255719284	IPHLGPQICVDPEG-UHFFFAOYSA-N	249.994	-0.832	50	10	BBGE	
Cc1cc(=NC(=O)c2coc(B(O)O)c2)cc[nH]1	2255734191	XARZXLKAQWOBPU-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCn2cncc2C1	2258567444	BQMZXZUOOIVWIE-KYZUINATSA-N	249.079	-0.522	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCn2cncc2C1	2258575197	BQMZXZUOOIVWIE-DTORHVGOSA-N	249.079	-0.522	50	10	BBGE	
Cc1ncnc(OCc2cccnc2)c1B(O)O	2264354896	OBUXRTPIDUQIMF-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
O=C(N[C@@H]1CCN[C@H]1C1CC1)[C@@H]1C[C@@H]1B(O)O	2298375216	ADRIWVBKZMGSAV-RGOKHQFPSA-N	238.096	-0.894	50	10	BBGE	
O=C(O)C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2299267405	ISYUDZKORIIVDV-ULAWRXDQSA-N	241.052	-0.924	50	10	BBGE	
O=C(NCCc1ncco1)[C@H]1C[C@@H](B(O)O)C1	2300969709	WVFRKHAYQCRFBX-OCAPTIKFSA-N	238.052	-0.414	50	10	BBGE	
O=C(c1cocc1B(O)O)N(CCF)CCF	2301663716	CUKMHCLWANKBFR-UHFFFAOYSA-N	247.006	-0.659	50	10	BBGE	
CCN(C)C[C@H](O)CN1CC[C@@](C)(B(O)O)C1	2303097417	OKAKLVREISLMRN-WDEREUQCSA-N	244.144	-0.762	50	10	BBGE	
CNC(=O)C[C@@H]1CCCCN1[C@H](C)C(=O)NN	2303943175	PAWKGTNPTZXPRV-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@@H]1COCCN1c1ccc(B(O)O)cc1C#N	2317151865	VZVQBVGRGULSRQ-SECBINFHSA-N	246.075	-0.537	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccc(B(O)O)cc2C#N)CN1	2317162630	SMWMDCCKIPDANJ-GZMMTYOYSA-N	246.075	-0.633	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@H]1CCNC1	2317206401	NTSMMEGWUBLWLB-VIFPVBQESA-N	246.075	-0.774	50	10	BBGE	
COC(=O)[C@@H](CO)NC(=O)[C@@H](C)CCl	54712380	OPXQNMICZMOPGM-NTSWFWBYSA-N	223.656	-0.489	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCN(C)C	58845225	FTBHMQMFDONBAZ-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
CCN(CC(=O)NC)C(=O)CBr	82506484	XBKVDPQELXTCKL-UHFFFAOYSA-N	237.097	-0.024	50	10	BBGE	
NC(=S)NNC(=O)C1CCOCC1	83591067	GIQLCOAZFZOPJD-UHFFFAOYSA-N	203.267	-0.723	50	10	BBGE	
NNC(=O)c1coc(CN(CCO)C2CC2)c1	110597061	FLOSJHRXHBLUKN-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CNc1nnc(C(=O)NN(C)C)s1	150130859	AJEXMLRZVQNBEJ-UHFFFAOYSA-N	201.255	-0.214	50	10	BBGE	
CC[C@H](C(=O)NN)n1cnc(C#N)c1C#N	164686563	MLCHXHLHLGOLQF-SSDOTTSWSA-N	218.220	-0.433	50	10	BBGE	
CO/C=C/c1cccc(B(O)O)c1OC	200968255	HLGVBWOXBDPRSN-VOTSOKGWSA-N	208.022	-0.008	50	10	BBGE	
COC(=O)N1CCCCC[C@@H]1C(=O)NN	215366100	KRRORHSJRAAZTG-SSDOTTSWSA-N	215.253	-0.013	50	10	BBGE	
C[C@H](CC(=O)NN)N(CCO)CC(F)(F)F	231593874	LNENBHVKYLCALZ-ZCFIWIBFSA-N	243.229	-0.389	50	10	BBGE	
CNC(=O)CCN(C)[C@H](C(=O)NN)C(C)C	234361905	MBCICZDOJIHHKH-VIFPVBQESA-N	230.312	-0.931	50	10	BBGE	
CO[C@H](C)[C@@](C)(O)/C(C)=N/NC(N)=O	238395401	QTOMDNBWUJLWKQ-YTMPCORTSA-N	203.242	-0.184	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@@H](C)[C@H](C)C(=O)NN	252614065	XTHMXZLWDHNZAR-CIUDSAMLSA-N	242.323	-0.789	50	10	BBGE	
CC(C)NC(=O)C1=C(C#N)C=NS1(=O)=O	260026080	FLGLQIZEYOPGMW-UHFFFAOYSA-N	227.245	-0.297	50	10	BBGE	
CN1CCO[C@H](CN[C@@H]2COC[C@H]2Cl)C1	306414489	OIZKOBZIDJROTL-OPRDCNLKSA-N	234.727	-0.087	50	10	BBGE	
C/C(=N\NC(N)=O)[C@@](C)(O)C(C)(C)O	306622828	AZZJRDWFZSBCLG-LLIKBPFYSA-N	203.242	-0.448	50	10	BBGE	
CC(=O)NCCN(C)CCCCC(=O)NN	308188817	LYITVGJNCCTMBY-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
CCN(CCCC(=O)NN)[C@H]1CCOC1	308983186	FQXLIYKJMFMQLL-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
COC(=O)C(=O)NN=C1CCSC1	379382186	DUAYCQCVDVVNPJ-UHFFFAOYSA-N	202.235	-0.232	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CC(C)(C)C(=O)NN	384937659	TZGCWIMLIXWJOD-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
O=C1CN(C[C@H]2[C@@H]3COC[C@@H]32)CC(=O)O1	385613608	HCTPNNVMVSLCTC-WHUPJOBBSA-N	211.217	-0.736	50	10	BBGE	
CN(CCC#N)Cc1nc(C(=O)NN)co1	386701717	VNXUDTJPSPSNBB-UHFFFAOYSA-N	223.236	-0.376	50	10	BBGE	
COC1CN(Cc2cc(F)cc(B(O)O)c2)C1	394429523	WWMQZEDZUBRYOA-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
CCOC(=O)Cc1nc2c(B(O)O)cccc2o1	396119228	OXCDHHNDISLRSF-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
CC[C@@H]1CN([C@H](C)C(=O)NN)[C@@H](C)CO1	403782874	ACJAHIRVWGUXNK-DJLDLDEBSA-N	215.297	-0.136	50	10	BBGE	
CNC(=O)NNC(=O)/C=C/c1cncc(O)c1	492322693	WTZRSRHXMVOLDU-NSCUHMNNSA-N	236.231	-0.239	50	10	BBGE	
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NN)C2	496245860	LOWZIEWZYRSUGN-FXQIFTODSA-N	227.264	-0.157	50	10	BBGE	
OCc1cc(F)c(S)cc1B(O)O	575705223	GPHRBZTXJGLXQH-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
NC(=O)NN=C(N)c1ccc([N+](=O)[O-])o1	687806235	LPNRGFNSZCQNRT-UHFFFAOYSA-N	213.153	-0.524	50	10	BBGE	
N#CC1(O)CCN(c2nnc(CCN)o2)CC1	692084721	ICZXWNKAZNMNOU-UHFFFAOYSA-N	237.263	-0.574	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cc2cc[nH]n2)CC1	692115073	RYIMCFQOBIFDPW-UHFFFAOYSA-N	234.259	-0.171	50	10	BBGE	
NNC(=O)C(=O)NCC1CCC(F)(F)CC1	693398676	PWTWKBKQSOCEJO-UHFFFAOYSA-N	235.234	-0.082	50	10	BBGE	
CCN([C@@H](C)C(=O)NN)[C@@H]1CCN(C)C1	693436722	KQJYLSQQGJIVAA-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	694433128	PUFQTQAKBXLVGV-FXQIFTODSA-N	211.265	-0.471	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1	700852523	JNXYUBOSNHQUHU-VIFPVBQESA-N	248.242	-0.121	50	10	BBGE	
COC1CCC(NC(=O)C(=O)NN)CC1	703802369	PXAADLKSRRJJKH-UHFFFAOYSA-N	215.253	-0.950	50	10	BBGE	
C[C@H](ON)C(=O)N1CCC(O)(C#N)CC1	708672170	HTXWZTPMICBLLM-ZETCQYMHSA-N	213.237	-0.858	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H]2C1=O	715701767	MGXZEJOFUMEKEU-JGVFFNPUSA-N	211.265	-0.375	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)OCCl	717368965	XLKBWLYLFREGSV-LURJTMIESA-N	210.661	-0.169	50	10	BBGE	
CCC(=O)NNS(=O)(=O)N1CCC[C@H]1C	769863336	SZGAZJWCSDMQAW-SSDOTTSWSA-N	235.309	-0.254	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NN(C)C(N)=O)C1	897278305	RHPYKVVDAHAQMY-WDSKDSINSA-N	201.226	-0.547	50	10	BBGE	
Cc1cnn(C)c1C(=O)NNC(=O)NC1CC1	1136412148	OPEDQQVRXINOIK-UHFFFAOYSA-N	237.263	-0.165	50	10	BBGE	
CC(C)(O)C(=O)NN=Cc1nc(CO)cs1	1334886903	QBIDWCSOWOIHIB-UHFFFAOYSA-N	243.288	-0.144	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1	1532052968	IDMCHKSEAMLEDE-NXEZZACHSA-N	244.254	-0.069	50	10	BBGE	
CC(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-]	1587582340	WGSMMJWSEHSXDN-UHFFFAOYSA-N	217.225	-0.011	50	10	BBGE	
Cn1nncc1NNC(=O)CCc1cnn[nH]1	1638740363	HDKZEDSCILQMOE-UHFFFAOYSA-N	236.239	-0.991	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccnc(CO)c1	1640411276	HUUHWTNSRMWKFT-UHFFFAOYSA-N	239.231	-0.083	50	10	BBGE	
O=C1NC(=NC[C@@H]2C[C@H]2Br)NC1=O	1877373490	FZATXFVHWUTDAW-IUYQGCFVSA-N	246.064	-0.628	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1O)[C@@H]1C[C@H]1Cl	1877521637	VHNJHKXOYCNJGR-WCTZXXKLSA-N	218.684	-0.547	50	10	BBGE	
O=S(=O)(NCC#CCCl)N1CCC1	1881932542	LFWQGCFLSWEXII-UHFFFAOYSA-N	222.697	-0.231	50	10	BBGE	
NNC(=O)c1cc(COCCF)on1	1886032987	HSFJPINKNSDMMJ-UHFFFAOYSA-N	203.173	-0.236	50	10	BBGE	
C[C@H]1CN(C(=O)NN)C(C)(C)C(=O)N1	1886711806	BLVVAPRAQBRXHK-YFKPBYRVSA-N	200.242	-0.831	50	10	BBGE	
O=CNc1cc(F)c(F)cc1B(O)O	1893428922	LOGOGUYPYMXAET-UHFFFAOYSA-N	200.937	-0.787	50	10	BBGE	
N[C@H](CCO)C(=O)NCC1CC(Cl)C1	1893509830	QWTKFDYPLIOWIF-KAVNDROISA-N	220.700	-0.170	50	10	BBGE	
C[C@H](CN)SC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896929557	PDABBFSZNFTRAO-VGMNWLOBSA-N	247.364	-0.006	50	10	BBGE	
CN(NC(=O)c1ccnc(F)c1)S(C)(=O)=O	1901349315	XUBLOMJJFJEWOU-UHFFFAOYSA-N	247.251	-0.243	50	10	BBGE	
C[C@H](CN)N(C)Cc1cccc(B(O)O)c1	1901473633	BJZRAXVQXWLKGH-SECBINFHSA-N	222.097	-0.855	50	10	BBGE	
C=CCNC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	1902504909	BEFFRBDSLDJFGI-BDAKNGLRSA-N	226.085	-0.774	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cn[nH]c2)C1	1902518325	RIYCOGZGFZRKDJ-SECBINFHSA-N	223.041	-0.511	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)[C@H]1COC2CC1C2	1908622038	QPUVMFYZMXAHCB-YHUBBEEFSA-N	239.319	-0.278	50	10	BBGE	
CC[C@H]1CCOCCN1C(=O)C(=O)NN	1913629056	IOKDBHWHDGKSDJ-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)OC1CCC1	1913666971	CLERUEIIMXLOPQ-UHFFFAOYSA-N	236.036	-0.138	50	10	BBGE	
CC(C)[S@@](C)(=O)=NC(=O)C(=O)NN	1913904411	VITLILPMLYBEIS-CYBMUJFWSA-N	207.255	-0.991	50	10	BBGE	
C[C@@H](CN1C[C@@H](CO)C(C)(C)C1)C(=O)NN	1914011658	UJKJUUBHFXZRST-IUCAKERBSA-N	229.324	-0.437	50	10	BBGE	
CN(CCOC1CC1)CC1(C(=O)NN)CC1	1914550448	HAKKLRNOUNSZLE-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NC(=O)CO[C@H]1CCN(C(=O)OCCl)C1	1928132554	JLDBXLRYDWHKAP-LURJTMIESA-N	236.655	-0.105	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CO[C@@H](C2)C1	1932135826	PVXHSYCYAGJYRV-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
N#C[C@@H]1CCCN(CC(F)(F)C(=O)NN)C1	1935936016	PFFXGWZQYWXFGW-ZETCQYMHSA-N	232.234	-0.153	50	10	BBGE	
CC(C)N(C[C@H](C)O)C[C@H]1C[C@H]1C(=O)NN	1936085016	PBJJSSDKWLTBRZ-IVZWLZJFSA-N	229.324	-0.296	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1O	1936091175	LJWSEWFZUDGWHG-DJLDLDEBSA-N	227.308	-0.685	50	10	BBGE	
CCC[C@@H](OC[C@@H]1COCCO1)C(=O)NN	1939102551	UPTRCHGZXMCSHS-DTWKUNHWSA-N	232.280	-0.423	50	10	BBGE	
CN(C[C@@H]1CCCN1C)C[C@@H]1C[C@@H]1C(=O)NN	1941090004	YDOAEVKCISPKQN-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1948554422	PSOFKRAXLSQVEZ-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](O)CC12CCC2	1949812667	YWAAYHJBXDLVSN-VIFPVBQESA-N	241.291	-0.857	50	10	BBGE	
O=C(CCl)NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12	1957245720	NYXXULDMDDXMQU-POBXSPIYSA-N	237.708	-0.368	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21	1957281401	QXCBSPOLVPASOG-JWXFUTCRSA-N	237.708	-0.227	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(C[S@@](C)=O)C1	1957671356	CXNARIFKTOTCRT-KWKYVRJSSA-N	233.337	-0.935	50	10	BBGE	
Cc1noc(CN(C)[C@@H](C)C(=O)NN)n1	1958691010	CTGNOSUCPCALJM-YFKPBYRVSA-N	213.241	-0.812	50	10	BBGE	
CC(C)C[C@@H]1COCCN1CC(=O)NN	1961279123	ZTOLUTCRMRIKHQ-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1C(F)F	1961505224	DXLHYXHGQNIUCQ-LURJTMIESA-N	223.223	-0.668	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1CCCC(=O)NN	1961554184	SMAMSTOQHBNXKA-AYVTZFPOSA-N	233.337	-0.791	50	10	BBGE	
CC[C@@H](C)Oc1ncc(B(O)O)c(C)n1	1961687795	OLUGUPOPAJUYPB-ZCFIWIBFSA-N	210.042	-0.358	50	10	BBGE	
CN(C1CC1)C1CN(CCC(=O)NN)C1	1961817727	AMBKSMHXOBHSNA-UHFFFAOYSA-N	212.297	-0.855	50	10	BBGE	
CC[C@H](O)CN(CC)CC(F)(F)C(=O)NN	1977879243	WOVYGASOVDHVPB-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)N1CC2(CC(N(C)C)C2)C1	1978612276	BCNOJZIBJPWZAP-MRVPVSSYSA-N	226.324	-0.609	50	10	BBGE	
CO[C@H](C)CN(C)c1ccncc1B(O)O	1981427796	WLCZXYZMTVBSNB-MRVPVSSYSA-N	224.069	-0.768	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC=CC[C@@H]1CO	1983179341	MULQLBNHWSUNTF-IVZWLZJFSA-N	227.308	-0.376	50	10	BBGE	
NC(=S)NNC(=O)c1cccn2cnnc12	1983538214	WWVJVVYPTGLIJP-UHFFFAOYSA-N	236.260	-0.793	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@H]1CCN1C	1987092012	JVXIEHBOXLBVTN-LPEHRKFASA-N	228.340	-0.363	50	10	BBGE	
O=C(CCCl)NC(=O)NC[C@H]1CNC(=O)O1	1987122263	ZIQOVMHBDXSHTD-YFKPBYRVSA-N	249.654	-0.451	50	10	BBGE	
CC1(C)OCCC[C@@H]1CNC(=O)C(=O)NN	1987325465	NPMYISZIZVNYCB-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CO[C@@H]1C[C@]2(C(=O)NCC=CB(O)O)C[C@@H]12	1991339979	ZRTBSDZLPDLBGV-QXFUBDJGSA-N	225.053	-0.904	50	10	BBGE	
O=C(O)CN1CC(CNC(=O)[C@@H]2C[C@H]2Cl)C1	1991695121	XMEVBDCZAMWMSG-HTQZYQBOSA-N	246.694	-0.254	50	10	BBGE	
C[C@@H]1CC[C@@H]([C@H](NC(=O)NN(C)C)C(=O)O)O1	2004879725	CLTMNVVOBCYWGQ-CSMHCCOUSA-N	245.279	-0.217	50	10	BBGE	
C[C@H]1CCN(c2ncc(B(O)O)cn2)[C@H](C)C1	2004912185	PWGRVYWWJXDCHK-DTWKUNHWSA-N	235.096	-0.219	50	10	BBGE	
CN(C[C@H]1CC12CC2)c1ncncc1B(O)O	2004921034	QNERCSWEFLAWQN-MRVPVSSYSA-N	233.080	-0.607	50	10	BBGE	
Cc1nc(OC[C@H](C)C2CC2)ncc1B(O)O	2004935420	XJBBRKVVOFEWDJ-ZETCQYMHSA-N	236.080	-0.110	50	10	BBGE	
Cc1cc(OCCOC2CC2)ncc1B(O)O	2004936120	VCPMMIMQGJCZJL-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CC[C@H]3C2)c1B(O)O	2004974529	LOFJODGLAFHHRL-IUCAKERBSA-N	233.080	-0.689	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2(F)CC1C2	2005014049	FULHWGIKJWWKMT-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2005804875	CBTAOLRXIBCYQO-WYOJIJJFSA-N	230.076	-0.394	50	10	BBGE	
NNC(=O)CCCCN1CCC2(CC(O)C2)C1	2005809896	SYTWBEZOYSHZIW-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@]1(C)COCCO1	2005977836	MQBDDUGCTMOWIP-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
Cc1oc(CN2C[C@H](O)[C@@H]2C)cc1C(=O)NN	2011374682	TXINGKJXKMDQMV-WKEGUHRASA-N	239.275	-0.243	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)[C@@H]1CCC(=O)NC1	2012017174	RYUXIAYRYBAETG-RKDXNWHRSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1ccccc1OC[C@@H]1[C@H]2COC[C@H]21	2015128716	SOEDOUOUQNDXTH-MYJAWHEDSA-N	234.060	-0.362	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1ncccc1B(O)O	2016812725	SSKCEGWCQPLCNW-RKDXNWHRSA-N	238.071	-0.197	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C1(C)COC1	2026730829	WTEZHWTVMBBIIL-UHFFFAOYSA-N	235.092	-0.413	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2ncc[nH]c2=O)CC1	2048274173	DJBPLFYGFIJMOF-UHFFFAOYSA-N	248.242	-0.739	50	10	BBGE	
O=Cc1c(Cl)ccc([N+](=O)[O-])c1B(O)O	2060136503	ARGTZXSFFUJTBG-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCc1c(C#N)cc([N+](=O)[O-])cc1B(O)O	2060279324	SNXPEMHVVUSQKE-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
CO[C@@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1	2079008086	DPYSUIZFYCZCEH-WDEREUQCSA-N	249.075	-0.726	50	10	BBGE	
C[C@@H]1COCCN1Cc1cc(B(O)O)cs1	2211072945	UAERPSRMYIPCSY-MRVPVSSYSA-N	241.121	-0.351	50	10	BBGE	
COC1(C)CN(Cc2nscc2B(O)O)C1	2211134839	DEJJMPMMNCAIMX-UHFFFAOYSA-N	242.109	-0.956	50	10	BBGE	
CC[C@H](N)[C@@H](C)Oc1ccc(B(O)O)cn1	2212607288	JCYNOSBGPPYQNU-APPZFPTMSA-N	224.069	-0.734	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)[C@@H](C)CO	2212612855	PMRKVNSOLNNGBF-YUMQZZPRSA-N	224.069	-0.810	50	10	BBGE	
C[C@@H](CN1C[C@H](N(C)C)C2(CC2)C1)C(=O)NN	2215133318	MAYLJEMISMYRGX-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@@H]1CC[C@@H]1C(=O)NN)C2	2215771211	GVVUEDTZJIPXHB-GMOBBJLQSA-N	239.319	-0.134	50	10	BBGE	
CN(CC(=O)N(C)C)C[C@@H]1CC[C@@H]1C(=O)NN	2215773259	SEBSTQJYTSODDW-IUCAKERBSA-N	242.323	-0.978	50	10	BBGE	
CN1CCCN(C[C@@H]2CC[C@H]2C(=O)NN)C1=O	2215773946	VCQAVSGVERBJFZ-DTWKUNHWSA-N	240.307	-0.240	50	10	BBGE	
C[C@]1(C#N)CCN(c2ccc(B(O)O)cn2)C1	2217173886	UTFSKZMXEXOHGT-LLVKDONJSA-N	231.064	-0.499	50	10	BBGE	
CO[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2217180302	GRCXMQUQMZOFRV-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
CNC[C@@H](Oc1ncccc1B(O)O)C(C)C	2217184707	VOPSLQBSOGZSRS-SNVBAGLBSA-N	238.096	-0.616	50	10	BBGE	
OB(O)c1ccnc(OCCOCC2CC2)c1	2217191666	DHFYMFKTCWMGBZ-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
C[C@@H](O)CN(c1cc(B(O)O)ccn1)C1CC1	2217195990	OVHOKVFHIOEVST-MRVPVSSYSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1cnc(NC2[C@H]3CCCC[C@H]23)nc1	2217199596	NPJDQDYLWKUNRD-IUCAKERBSA-N	233.080	-0.243	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCCC[C@@H]21	2217336423	DOZZCNAWQQCCBG-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](C2)C3O)c1	2220059625	RUMAETYMLHIRNE-QYJAPNMZSA-N	247.103	-0.821	50	10	BBGE	
CCC[C@]1(Nc2cc(B(O)O)ccn2)CCNC1	2223634106	FVGYWCASKLHFRD-LBPRGKRZSA-N	249.123	-0.295	50	10	BBGE	
C[C@@H](N)C1CCN(c2ncccc2B(O)O)CC1	2223640427	WONSEMDBRJUGNV-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3CC[C@H](C2)O3)nc1	2223643022	QJQJTWDMPUVXHN-RTCCRHLQSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccc(NC[C@H]2CCCCCN2)nc1	2223670493	YVVZFYJJECYUAP-LLVKDONJSA-N	249.123	-0.295	50	10	BBGE	
NCC[C@H]1CCCCN1c1ccc(B(O)O)cn1	2223671196	ISKNCXBUXUOIHI-LLVKDONJSA-N	249.123	-0.531	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)sc1C	2241481830	WOLKAGRYHJCHHO-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
CC(C)(F)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241496062	OXRVSDJQEVLGDG-WDSKDSINSA-N	203.022	-0.286	50	10	BBGE	
CO[C@@H](C)CNC(=O)c1cscc1B(O)O	2243347739	OWZFALCLRMLCQB-LURJTMIESA-N	243.093	-0.807	50	10	BBGE	
C#CCNC(=O)c1cccc(B(O)O)c1Cl	2243367807	YWCIMBIVAWPDBQ-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CCCN(O)C(=O)c1cncc(B(O)O)c1	2243376525	LHKNCNXRWIBXBC-UHFFFAOYSA-N	224.025	-0.997	50	10	BBGE	
CCCN(CC)C(=O)c1cc(B(O)O)sn1	2243378427	SRYJEWJFDFVKEV-UHFFFAOYSA-N	242.109	-0.305	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243390862	CGJNUUYAKOLCKD-CIUDSAMLSA-N	222.053	-0.389	50	10	BBGE	
NC1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243396298	KKYJTXCQFCEXMM-ABIFROTESA-N	226.085	-0.765	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1F)c1ccc(B(O)O)o1	2243398792	GYAAYWLSPPRNBV-RITPCOANSA-N	227.000	-0.953	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccccc1	2243400525	CROLBVYMZOCKEH-VIFPVBQESA-N	217.033	-0.121	50	10	BBGE	
O=C(C#CB(O)O)NC1CC(=C2CCC2)C1	2243401466	RNBGRVWMWOGYTR-UHFFFAOYSA-N	219.049	-0.239	50	10	BBGE	
CC=CCNC(=O)c1c(C)nsc1B(O)O	2243415678	ZTBVDIGMIUSUMF-UHFFFAOYSA-N	240.093	-0.563	50	10	BBGE	
CCC(CC)(CN)NC(=O)[C@H]1C[C@H]1B(O)O	2243427235	SCBBMIIJAWUCAV-JGVFFNPUSA-N	228.101	-0.517	50	10	BBGE	
CCC(CC)NC(=O)c1cocc1B(O)O	2244205169	GTSBXOBBNOOYNR-UHFFFAOYSA-N	225.053	-0.122	50	10	BBGE	
CC1=CCCN(C(=O)c2ccc(B(O)O)o2)C1	2247737371	FOMWNMNGQHHEBL-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C#C[C@H](C)NC(=O)c1ccc(B(O)O)c(C)c1	2247752540	RBYIHTKNMWVYDR-VIFPVBQESA-N	231.060	-0.574	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@]1(C)CN	2247753138	BXKLUUXWQPATOS-WPRPVWTQSA-N	240.112	-0.563	50	10	BBGE	
C#CCN(C)C(=O)c1cc(F)ccc1B(O)O	2247754652	ABVJQZAZTOSFGF-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
C[C@@H]1NCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1C	2247785090	FUZLREZTBYCQLR-QCLAVDOMSA-N	240.112	-0.552	50	10	BBGE	
N#Cc1cccnc1NC(=O)[C@H]1C[C@@H]1B(O)O	2247800540	PYGUUHUMIOSYBM-YUMQZZPRSA-N	231.020	-0.245	50	10	BBGE	
CN1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247809406	ZBEVXGLLOXCRQY-UTINFBMNSA-N	238.096	-0.846	50	10	BBGE	
C[C@@H]1CCOC[C@H]1NC(=O)C1CC(B(O)O)C1	2247809589	ZUUIMWCFGHRAHE-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	2247847841	CECWLGVDXYASPK-GBVMLCMLSA-N	233.076	-0.447	50	10	BBGE	
C[C@H](N)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878290	MYUNSFMBZFSFKN-DTWKUNHWSA-N	240.112	-0.421	50	10	BBGE	
COC(OC)[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2247894427	GSNJMPLFFDRLPI-FXQIFTODSA-N	245.084	-0.685	50	10	BBGE	
CC1(C)CC[C@H](CO)N1C(=O)[C@@H]1C[C@H]1B(O)O	2247899253	LTSZJSICBIABKB-IWSPIJDZSA-N	241.096	-0.389	50	10	BBGE	
N[C@H](CNC(=O)[C@H]1C[C@H]1B(O)O)c1ccco1	2247899749	PUVYTQNNVHUDEO-XLPZGREQSA-N	238.052	-0.742	50	10	BBGE	
CCC[C@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248584789	BLLFLDZMNIBAIA-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)[C@]12COC[C@@H]1C2	2249382272	JPMARZVHZVHWGB-GZMMTYOYSA-N	239.080	-0.512	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249592763	OCTUNLHMRKIBMZ-GHXJOQNMSA-N	241.335	-0.152	50	10	BBGE	
CC12CC(C(=O)NCCC#CB(O)O)(CO1)C2	2250003846	COWUCTWGBUHJJM-UHFFFAOYSA-N	237.064	-0.923	50	10	BBGE	
CCC/C=C/CNC(=O)c1ccncc1B(O)O	2255449062	KJKZJDTYSVBLLR-SNAWJCMRSA-N	248.091	-0.153	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H]2CC[C@H]21	2255454688	XVUQZHRAAGIJMT-PSASIEDQSA-N	249.075	-0.108	50	10	BBGE	
C=CC[C@@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255518845	PLYYLGVGTYOURS-LLVKDONJSA-N	246.075	-0.448	50	10	BBGE	
C=CC1(NC(=O)c2cccc(B(O)O)c2F)CC1	2255739299	ICPLONOGDFGLCD-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3ncccc3B(O)O)C[C@H]12	2297850194	MDHDNLHRJYCLOI-IVZWLZJFSA-N	232.092	-0.146	50	10	BBGE	
C[C@@]1(C(=O)O)C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298462859	GATFIFTZJCJTKX-XSSZXYGBSA-N	239.036	-0.909	50	10	BBGE	
NC1(CNc2ccc(C=O)c(B(O)O)c2)CC1	2301422710	KHIOIMDFGIDZNO-UHFFFAOYSA-N	234.064	-0.918	50	10	BBGE	
CO[C@H]1CN(CC(B(O)O)=C(C)C)C[C@H]1OC	2301854140	IDHHJZRSMNEWFN-PHIMTYICSA-N	243.112	-0.320	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2C[C@@H]1C[C@@H]1C(=O)NN	2302211362	MYEUVHQCDVCIDS-QUARPLMYSA-N	239.319	-0.278	50	10	BBGE	
CCN1CC(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2303226426	RCTVSCQRVKVFGA-AOOOYVTPSA-N	240.112	-0.693	50	10	BBGE	
CC[C@@](C)(CN1C[C@H](O)CCC1=O)C(=O)NN	2303438821	JCMVRACQSREGRU-KCJUWKMLSA-N	243.307	-0.624	50	10	BBGE	
CON(c1cc(B(O)O)c(F)cn1)C1CCC1	2303834987	OWVQCFRPOILMQR-UHFFFAOYSA-N	240.043	-0.179	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21	2312516184	PYVGVPQPAWVSNK-QHAQEBJBSA-N	249.314	-0.131	50	10	BBGE	
N[C@H]1C[C@@H](COc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312614228	BLZKELBSXXKUSQ-ASXGKARISA-N	248.091	-0.877	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@H](Nc1ncc(B(O)O)cn1)C2	2313124144	VNJDIOZOZFEXCP-FXPVBKGRSA-N	249.079	-0.864	50	10	BBGE	
CC(C)(N)CCNc1ccc(B(O)O)cc1C#N	2317166428	UZVIIAPBCXTNSA-UHFFFAOYSA-N	247.107	-0.223	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)c1cccnc1	35692701	LHVXVCLWKVAGIN-LURJTMIESA-N	208.221	-0.751	50	10	BBGE	
CN1CCN(CCCCl)C(=O)C1=O	61797588	YZDLGQZNQUDWRI-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCC2=O)nc1	94764101	SLDUVKCMIHVZEE-UHFFFAOYSA-N	234.259	-0.193	50	10	BBGE	
CCc1nccn1C[C@H]1CC[C@@H](C(=O)NN)O1	110602868	DQTHMTCOCFEXLF-BDAKNGLRSA-N	238.291	-0.017	50	10	BBGE	
CS(=O)(=O)N1CCOC[C@H]1CCl	159500905	BRBMFVSYRMQHDK-ZCFIWIBFSA-N	213.686	-0.114	50	10	BBGE	
O=C(CO)NNC(=O)c1cccn1C1CC1	182745094	SCAPAXSACWJIMB-UHFFFAOYSA-N	223.232	-0.424	50	10	BBGE	
NC(=O)N/N=C(/N)c1cccc([N+](=O)[O-])c1	197378403	XJUHLSUTWGRWAI-UHFFFAOYSA-N	223.192	-0.117	50	10	BBGE	
OB(O)c1cccc(Cn2cccn2)c1	203174504	XWUVYYLHWMPSHA-UHFFFAOYSA-N	202.022	-0.389	50	10	BBGE	
Cc1nc2ncnn2c(C)c1CC(=O)NN	212554181	XCZDPIUXHGCIBL-UHFFFAOYSA-N	220.236	-0.726	50	10	BBGE	
NNC(=O)CN1CCN(C2CCCCC2)CC1	218434754	PBXWMFVIICXWLA-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
C[C@H](CC(N)=O)NS(=O)(=O)CCl	220595073	SJNGJUHDIDQQFM-SCSAIBSYSA-N	214.674	-0.634	50	10	BBGE	
NC(=O)CCCNS(=O)(=O)CCCl	232296304	WHGBNFJMBVKXEO-UHFFFAOYSA-N	228.701	-0.590	50	10	BBGE	
C[C@H]1C(=O)NCCN1S(=O)(=O)CCCl	232299647	ALXBRLWCLWGUBG-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
COC(=O)N[C@H]1CCN([C@H](C)CC(=O)NN)C1	252798426	ODMDATLKJMMREY-SFYZADRCSA-N	244.295	-0.815	50	10	BBGE	
C[C@H](C#N)CNC(=O)NNC(N)=S	307008512	GXLDONRPXYWQOG-SCSAIBSYSA-N	201.255	-0.807	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@H]2CO3)cc1	307556996	ZQCWSMHOCIYXON-NWDGAFQWSA-N	233.076	-0.661	50	10	BBGE	
C[S@](=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	307613739	MGKATTWEKCXWTE-XOGFGSHOSA-N	231.726	-0.726	50	10	BBGE	
CCC[C@@H](C)NNC(=O)[C@@H]1COCCN1	309839189	NPHZQXWMOJWBCW-BDAKNGLRSA-N	215.297	-0.216	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[S@@](=O)C(C)(C)CC1	322033291	LFIUXSCTZXYMOZ-VPTHRUTESA-N	247.364	-0.402	50	10	BBGE	
CC(C)[C@H](CO)N=c1[nH]c(CCl)nc(=N)[nH]1	381025858	XWWBCHAFKSJZGS-LURJTMIESA-N	245.714	-0.126	50	10	BBGE	
O=c1cnccn1Cc1ccc(F)cc1B(O)O	384953261	GHOLGSLGJABOQT-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CN(C)CC1CN(CCCC(=O)NN)C1	394466559	UDVRQZLGUCBKPR-UHFFFAOYSA-N	214.313	-0.750	50	10	BBGE	
C[C@H](Cl)C(=O)c1ccc(CO)c(B(O)O)c1	396038488	HCSYUBBEAFWACM-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
CCC(=O)c1ccc([N+](=O)[O-])cc1B(O)O	396048142	HKNQFFJEMDFSMW-UHFFFAOYSA-N	222.993	-0.133	50	10	BBGE	
O=C(CCl)Cc1ccc(F)c(B(O)O)c1	396066219	CTPGNFRVTBKJGX-UHFFFAOYSA-N	230.431	-0.144	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)C1CCOCC1	405027021	KCRCJPZPUPUKRP-UHFFFAOYSA-N	249.075	-0.269	50	10	BBGE	
O=C(CCCl)N[C@H]1C(=O)OC[C@H]1O	675078998	DIWASVCHXNUOGG-INEUFUBQSA-N	207.613	-0.982	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](C(F)F)CC1	686833833	FRODZLQHCWKMJI-ZCFIWIBFSA-N	223.223	-0.668	50	10	BBGE	
CON(C)C(=O)CNC(=O)OCCl	692817223	FUTPLSMQGPHKMK-UHFFFAOYSA-N	210.617	-0.071	50	10	BBGE	
CCCC[C@@H](C[N+](=O)[O-])NNC(N)=O	702616569	HTTUJELYWNZPRD-LURJTMIESA-N	204.230	-0.005	50	10	BBGE	
Cc1nn(C)c(C)c1/C=C\C(=O)NNC(N)=O	705998162	UJKKIDZORIXSDJ-PLNGDYQASA-N	237.263	-0.250	50	10	BBGE	
CCn1ncc(C(F)(F)F)c1B(O)O	707253781	JVUWVYSQIGRTSG-UHFFFAOYSA-N	207.948	-0.398	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@](C)(CO)C1	708285780	AHZBHLJHPPTEII-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1nnc(C)n1C	708398175	IZTCXVPLBSNAAW-SSDOTTSWSA-N	246.698	-0.006	50	10	BBGE	
Cc1nn(C[C@H]2CCCOC2)c(C)c1B(O)O	708398653	NYVFGUJQLDOVDS-SNVBAGLBSA-N	238.096	-0.394	50	10	BBGE	
N#CC1(O)CCN(C(=O)/C=C\CN)CC1	709392423	WXXLOYJSBRCDIE-UPHRSURJSA-N	209.249	-0.622	50	10	BBGE	
CN(CCn1cnnn1)[C@@H]1COC[C@H]1Cl	712594562	QHMRMSIPHVEQCE-HTQZYQBOSA-N	231.687	-0.389	50	10	BBGE	
C[C@H](O)C1CN(CCCCC(=O)NN)C1	719805793	DBIXDJYSYIBFEJ-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C#CC(=O)NNC(=O)c1ccc2c(c1)OCO2	753887047	BFCIKXIQZKHBDD-UHFFFAOYSA-N	232.195	-0.191	50	10	BBGE	
CC(Cn1ccccc1=O)=NNC(=O)CO	761833303	AAJGGVWELBESIT-UHFFFAOYSA-N	223.232	-0.667	50	10	BBGE	
COCC(=O)NNC(=O)Nc1nn(C)cc1C	826043563	KZINQLCHYWQPNF-UHFFFAOYSA-N	241.251	-0.472	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C=C2CCC2)nn1	855188267	FXEVLSUYIXRIMJ-UHFFFAOYSA-N	235.247	-0.314	50	10	BBGE	
C[C@@H](CC(N)=O)C(=O)NNc1ccc(C#N)cn1	1177407399	IDRBSPHWQFHKCG-ZETCQYMHSA-N	247.258	-0.092	50	10	BBGE	
NC(=O)CCNS(=O)(=O)C(Cl)Cl	1201824643	IRWZUFTZCNBMOA-UHFFFAOYSA-N	235.092	-0.458	50	10	BBGE	
CCn1ncnc1C=NNC(=O)c1cn(C)nn1	1330031302	UYPREAJWYSQRMX-UHFFFAOYSA-N	248.250	-0.810	50	10	BBGE	
Cn1cc(C(=O)NNc2ccncn2)nn1	1468214266	GIUSKJANKXXZRK-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
O=C(Cc1ccon1)NNC(=O)c1ccnnc1	1626752885	AGVWLLKWCWZKNA-UHFFFAOYSA-N	247.214	-0.532	50	10	BBGE	
O=C(COC1CC1)NNC(=O)c1ncon1	1627103301	IERXXEOUMAQCIN-UHFFFAOYSA-N	226.192	-0.990	50	10	BBGE	
C[C@@H](Cc1cnn(C)c1)C(=O)NN(C)C(N)=O	1630877656	BJADFCIQNGBRTP-ZETCQYMHSA-N	239.279	-0.360	50	10	BBGE	
Cc1cc(NNC(=O)C2(O)CCC2)nc(N)n1	1632694118	APDMBYCPYHIXKE-UHFFFAOYSA-N	237.263	-0.275	50	10	BBGE	
C[C@@H](Cl)CNC(=O)COCC(=O)O	1866081524	HKIOLKFRKUBPTQ-RXMQYKEDSA-N	209.629	-0.169	50	10	BBGE	
C[C@@]1(O)CCN(S(=O)(=O)CCl)C[C@@H]1O	1877551237	OACNPFGZMOMTIA-NKWVEPMBSA-N	243.712	-0.670	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1Cl)C(CO)CO	1883633843	CSVCVILEEKFJQC-RNFRBKRXSA-N	207.657	-0.575	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N(CCO)CCO	1883634286	ILSYEDFSMVDVOZ-NKWVEPMBSA-N	207.657	-0.573	50	10	BBGE	
N[C@]1(C(=O)NC2CC(Cl)C2)CCOC1	1884412319	OIMHGDIARKVHBS-QXUHLLMWSA-N	218.684	-0.010	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCC[C@H]1[C@@H](O)CO	1885362677	CHCIPVPBUXCINV-FXQIFTODSA-N	221.684	-0.042	50	10	BBGE	
CC1(C)CCOCCN1CC(=O)NN	1885825197	PKBCDLWOYIOBSU-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](O)[C@H]1C	1885873662	SQLFYNQWRVMKFR-HSNKUXOKSA-N	201.270	-0.934	50	10	BBGE	
C[C@@H](COCC1CN(C)C1)C(=O)NN	1888699365	WHMGVOLJMFDNSK-ZETCQYMHSA-N	201.270	-0.809	50	10	BBGE	
C[C@@H]1NCC(=O)N(C[C@@H]2C[C@@H]2Cl)C1=O	1893106250	DVXVPZGWADXRIC-ACZMJKKPSA-N	216.668	-0.039	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H]1[C@@H]2CCO[C@@H]21	1895438614	DSWGEWINPBELLV-LOKLDPHHSA-N	227.308	-0.278	50	10	BBGE	
CO[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H]1C1CC1	1897038808	LELMGKLEZVNPBQ-SZEHBUNVSA-N	227.308	-0.136	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCN[C@@H]1C	1901343296	BPCAYASTKIUBFU-HTQZYQBOSA-N	249.336	-0.703	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)[C@H]2CCOC2)C1	1902521430	HBDVGLDEGQERTC-WCBMZHEXSA-N	227.069	-0.512	50	10	BBGE	
CCCN1CCCN(CCC(=O)NN)C1=O	1905330264	XZBKAJSQVOECBB-UHFFFAOYSA-N	228.296	-0.096	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(F)(F)C[C@H]1CO	1905764548	UCIHYZBMCDOANS-BIIVOSGPSA-N	249.261	-0.686	50	10	BBGE	
COC[C@@H]1C[C@H]1CN(C)CC1(C(=O)NN)CC1	1909181791	RJQGEWSCEMFXCB-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
Cc1nc(C(=O)Nc2ncccc2B(O)O)co1	1913632187	CMWAEDNIVDFSLX-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
O=S(=O)(NCCCl)N1CC[C@@H](O)C1	1914177856	WFWUXIRVMQVMBX-ZCFIWIBFSA-N	228.701	-0.874	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)OCCl)C1	1915005304	XCNRHOJFJOCXBR-UHFFFAOYSA-N	228.657	-0.708	50	10	BBGE	
CN(Cc1cc(F)cc(B(O)O)c1)C1COC1	1915672387	AMFRXGQUGMVNDF-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
CON1CCN([C@@H](C(=O)NN)C(C)C)CC1	1915710936	PKPWZHKXVOAYOM-SECBINFHSA-N	230.312	-0.820	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917086498	INULEDTXTQHZQY-APPZFPTMSA-N	219.260	-0.839	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@H]2C1	1927917195	UZFIDIVEAZPQQV-QCLAVDOMSA-N	209.293	-0.046	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2[C@@H](C1)C2(F)F	1931858733	UOBMYPGEFDYEMD-PHDIDXHHSA-N	205.208	-0.437	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1cc(Cl)cnc1=O	1936081672	ALFSEMLSFVJAON-CAHLUQPWSA-N	242.666	-0.477	50	10	BBGE	
CN1CCO[C@H](CN[C@@H]2CN(C)C[C@H]2Cl)C1	1937205239	TZCPMMNAUUUWMF-GMTAPVOTSA-N	247.770	-0.172	50	10	BBGE	
Cc1nn(CCOC(F)F)c(C)c1B(O)O	1937689682	WUPSUXVDJKKJHQ-UHFFFAOYSA-N	234.011	-0.581	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2[C@H](O)CCC[C@H]2C1	1938053619	SELFOSRQPOFQLQ-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)c1cnco1	1944174963	JYIBBMZLSMDZPT-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2OCCO[C@@H]2C1	1944742301	TUBGXMDOODZRSU-KXUCPTDWSA-N	243.307	-0.900	50	10	BBGE	
CCN(C)[C@H]1CCN(CCOCC(=O)NN)C1	1948373597	ILKWZKMUZPCGRI-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
CO[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C	1951322087	SMDVENZXPAIMPN-RKDXNWHRSA-N	229.085	-0.267	50	10	BBGE	
CC(C)(C)n1nnc([C@H](N)[C@H](O)C#N)n1	1953032210	XRSAALLJEHHULR-PHDIDXHHSA-N	210.241	-0.688	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCOCC(N)=O	1955560084	WRNSZZRDGXYUOI-LURJTMIESA-N	222.672	-0.378	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21	1958422648	KELTXGGELAIKJA-KVPKETBZSA-N	209.249	-0.767	50	10	BBGE	
NNC(=O)N1C[C@@H](C(F)(F)F)[C@@H](CO)C1	1959590175	FQMCKOLXQRVYPG-RFZPGFLSSA-N	227.186	-0.328	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2	1961927288	UBZKPKFSVCHIIT-HXLXBVJFSA-N	233.695	-0.044	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)C1(S(C)(=O)=O)CC1	1974778272	SNURUPGQKLMKPY-ZETCQYMHSA-N	249.719	-0.080	50	10	BBGE	
C[C@H](CN1CC2(CC[C@@H]2O)C1)C(=O)NN	1975356462	XFCBIFMKPVLIAE-SFYZADRCSA-N	213.281	-0.931	50	10	BBGE	
CCn1nnnc1CNC(=O)NC(=O)CCl	1980592764	JRXMKLMWWCEAKT-UHFFFAOYSA-N	246.658	-0.742	50	10	BBGE	
CC12CC(C1)N(c1ncccc1B(O)O)C2	1981422827	UONRWRHOZUHQHO-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
Cc1cc(S[C@H]2CCOC2)ncc1B(O)O	1981451190	SFYBUPJRUJTBSJ-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
Cn1ncnc1Sc1ccncc1B(O)O	1981454233	GHACKLCEXWIJCM-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1CC=CC1	1984102161	RKLQLOYGDWZVJN-UHFFFAOYSA-N	219.049	-0.506	50	10	BBGE	
C[C@@H](F)[C@@H]1CCCN1CCOCC(=O)NN	1985220885	MNZSAXUVQWPUDA-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
COCCCCOc1ncccc1B(O)O	1987528432	QTIHCUYVNNOGCT-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CCn1nc(C)c(C(=O)NNCCO)c1C	1987625360	QAMJGWJYRUKOMG-UHFFFAOYSA-N	226.280	-0.253	50	10	BBGE	
C[C@@H](CN(C)[C@H]1COCC1(F)F)C(=O)NN	1991602586	JROHYYDDABDIOS-BQBZGAKWSA-N	237.250	-0.422	50	10	BBGE	
O=S(=O)(CCC1CCC1)NCC#CB(O)O	1992134244	JWZIXQIOXISBKU-UHFFFAOYSA-N	245.109	-0.889	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2CC2(C)C)n1	1993465184	VEFOHJSPIUAKRA-QMMMGPOBSA-N	222.053	-0.358	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21	2004131221	AEORQVJRAAXTBS-RRKCRQDMSA-N	247.245	-0.226	50	10	BBGE	
OB(O)c1cnc(N2CCCCCCC2)nc1	2004911883	MDYHSZDKMOGZIA-UHFFFAOYSA-N	235.096	-0.073	50	10	BBGE	
Cc1cc(B(O)O)cnc1OCCOC(C)C	2004930763	WINXCVGVEDNACT-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
OB(O)c1cccnc1N1C[C@@H]2CC[C@H](C1)O2	2004935362	WXLLLWVRAUIGJH-DTORHVGOSA-N	234.064	-0.871	50	10	BBGE	
O=c1c(B(O)O)cccn1CC1[C@H]2CCC[C@H]12	2008843646	CEMXCIMNABXUQG-IUCAKERBSA-N	233.076	-0.426	50	10	BBGE	
CN1CC(N(C)C[C@@H]2CC[C@@H](C(=O)NN)C2)C1	2010832083	FGGOTOJIYCIJJG-NXEZZACHSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](C2(O)CC2)C1	2013927136	APRAUSXKMMKLMM-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@H]2CC[C@H]21)C(=O)NN	2015990208	LVHRLSJMQNREQZ-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1OCC[C@H]1F	2019213158	VGRLUFWXWRHGKF-BDAKNGLRSA-N	247.270	-0.788	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]2(CCOC2)C1	2019214734	ZSETWVMCWKSLRQ-LLVKDONJSA-N	241.291	-0.734	50	10	BBGE	
NNC(=O)COCCN1CCCCC12COC2	2020927190	DDGZLCGEJZIKHS-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
O=C(C[C@@H]1C[C@@H]1C(F)(F)F)NCC#CB(O)O	2021116456	UZQFDPDGGIMICD-BQBZGAKWSA-N	248.997	-0.294	50	10	BBGE	
C=C(CN1C[C@@H](OC)C[C@H](OCC)C1)B(O)O	2021164583	JJMRZCNWSYWISS-QWRGUYRKSA-N	243.112	-0.320	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CN(C)c1ncccc1B(O)O	2025754165	SNFKWVTYNKIVJA-LDYMZIIASA-N	238.071	-0.054	50	10	BBGE	
Cc1cnc(N2C[C@H]3COC[C@@H]3C2)c(B(O)O)c1	2052628254	XRQUTMUJSYNOBB-UWVGGRQHSA-N	248.091	-0.848	50	10	BBGE	
COc1ccc([N+](=O)[O-])c(Cl)c1B(O)O	2060017438	WHZGIJNFOZRMNP-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=Cc1cc(B(O)O)cc(F)c1Cl	2060105416	ASIUUKXKPDQIFL-UHFFFAOYSA-N	202.377	-0.029	50	10	BBGE	
COc1c(C=O)ccc(B(O)O)c1C#N	2060199948	UJMDLGFYFIZJCE-UHFFFAOYSA-N	204.978	-0.941	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc2cncn2c1	2077438977	OLPJPEGOQSDSHV-UHFFFAOYSA-N	243.031	-0.921	50	10	BBGE	
CS(=O)(=O)[C@H]1CN(C(=O)NN)C2(CCC2)C1	2210488973	FSHIYQFGSSLWQC-SSDOTTSWSA-N	247.320	-0.389	50	10	BBGE	
NNC(=O)Nc1ccc(-n2cnnn2)cc1	2210622656	SJTBRPAXKCCINP-UHFFFAOYSA-N	219.208	-0.343	50	10	BBGE	
CO[C@H]1CCN(Cc2ccc(B(O)O)s2)C1	2211077414	CYLHJMNFVQXLSU-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
CO[C@H](C)CNc1nccc(B(O)O)c1F	2212605711	JCFNUBAKBDZFRN-ZCFIWIBFSA-N	228.032	-0.653	50	10	BBGE	
C[C@H](N)C[C@H](C)Oc1ccc(B(O)O)cn1	2212607434	ATKLLABSIPGGIO-YUMQZZPRSA-N	224.069	-0.734	50	10	BBGE	
CC(C)(CCN)Oc1ncccc1B(O)O	2212612035	HJZIWGYMQFQVCD-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2COCC[C@H]21	2215775734	IRSFCFWPKGDDPH-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@H]3CC[C@H]2O3)c1	2217172742	MCBJJXSHIAFXLK-KXUCPTDWSA-N	234.064	-0.507	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNc1ccc(B(O)O)cn1	2217179325	JJUGSOZLYJJEAR-WCBMZHEXSA-N	236.080	-0.402	50	10	BBGE	
CCC(CC)(CO)Nc1ncc(B(O)O)cn1	2217179786	OJBCMUCJQQJHRA-UHFFFAOYSA-N	239.084	-0.881	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCO2)c1F	2217180199	RAJFTCWRGLPBIN-ZETCQYMHSA-N	240.043	-0.509	50	10	BBGE	
Cc1c[nH]c(=NCCCC(F)F)cc1B(O)O	2217181598	RYBOGYHCZDREOU-UHFFFAOYSA-N	244.050	-0.051	50	10	BBGE	
C[C@@H]1OCC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217197017	WRWDRVVSJVAEBW-IUCAKERBSA-N	236.080	-0.980	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1ncco1	2217199420	MDJBROLPGQLZEQ-ZETCQYMHSA-N	233.036	-0.078	50	10	BBGE	
CC1(C)[C@@H](Nc2ccc(B(O)O)cn2)C[C@H]1N	2217200046	QQHKJMLGKHYDPY-BDAKNGLRSA-N	235.096	-0.701	50	10	BBGE	
CC[C@@H](COC)N(C)c1cc(B(O)O)ccn1	2217201124	CHSAXIAQDXIKSI-JTQLQIEISA-N	238.096	-0.377	50	10	BBGE	
CO[C@H]1C=CCN(Cc2cccc(B(O)O)c2)C1	2220062469	HOUCZABWKBAVAU-ZDUSSCGKSA-N	247.103	-0.247	50	10	BBGE	
CN(Cc1ccncn1)C[C@H]1CC[C@@H]1C(=O)NN	2221566731	KXCQRXGVZMFUHE-KOLCDFICSA-N	249.318	-0.076	50	10	BBGE	
Cc1nccnc1CNc1cc(B(O)O)ccn1	2223628148	PFJVCMCBIQBZSC-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CC1(C)[C@@H](Nc2ncccc2B(O)O)C[C@H]1CN	2223643176	SGRWCDNFZDEFSC-WPRPVWTQSA-N	249.123	-0.453	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H](C)NC2)cc1B(O)O	2223653201	POOMUIRQYYTCIR-VHSXEESVSA-N	249.123	-0.378	50	10	BBGE	
C[C@H](CS[C@H]1CC[C@H]1O)C(=O)NN	2242410036	VSJXWIJHLNZJOI-QYNIQEEDSA-N	204.295	-0.131	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)CC(C)(C)O1	2243361490	BYVKGFZLHZHUAK-QMMMGPOBSA-N	225.053	-0.972	50	10	BBGE	
C[C@@H]1OCC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2243364414	WWNKHHBHAHJFCZ-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
C[C@H](CCCO)CNC(=O)[C@H]1C[C@@H]1B(O)O	2243381344	FIUHZSOUNJMGAV-VGMNWLOBSA-N	229.085	-0.626	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)[S@](C)=O	2243396001	FYHFPRNZWNYJJV-SVTLFGBLSA-N	247.125	-0.877	50	10	BBGE	
CCN(CC)C(=O)c1nc(C)sc1B(O)O	2243413492	HLEJMMCWQYIKIH-UHFFFAOYSA-N	242.109	-0.387	50	10	BBGE	
CC#CCNC(=O)c1cc(B(O)O)c(C)s1	2243417055	PRGBMMRIPDLHQJ-UHFFFAOYSA-N	237.089	-0.511	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1cc(B(O)O)cs1	2243419640	CZIDDHURSPGMPW-HTRCEHHLSA-N	239.105	-0.044	50	10	BBGE	
CN(CC[S@](C)=O)C(=O)[C@H]1C[C@H](B(O)O)C1	2243419998	KKPJXDVODJOICU-UFIJUMAVSA-N	247.125	-0.924	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC2(C1)CC2(F)F	2243427649	YLLBNFSSLFWVSU-WDSKDSINSA-N	231.007	-0.283	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)C=CCC1	2244551046	ZLWNJHABFFBFLX-LLVKDONJSA-N	221.065	-0.136	50	10	BBGE	
CCOCCNC(=O)c1cc(B(O)O)oc1C	2247721793	IADKQEOOXWJVBC-UHFFFAOYSA-N	241.052	-0.966	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cscc1B(O)O	2247735339	LVKNQLSTNVKJQQ-UHFFFAOYSA-N	249.100	-0.311	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C(C)C	2247741789	FXEGIQNSXBWLBD-QMMMGPOBSA-N	235.048	-0.653	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ccoc1B(O)O	2247746636	BKWZMEPJBMABGR-IONNQARKSA-N	237.064	-0.170	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1C[C@@H]1C1CCCC1	2247746866	FMBVLZHOWWLNSN-GHMZBOCLSA-N	235.092	-0.056	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccc(B(O)O)o1)C1CC1	2247748084	XOEJLPIHRSWTPD-MRVPVSSYSA-N	233.032	-0.899	50	10	BBGE	
CN(C(=O)c1cncc(B(O)O)c1)C1(C)CC1	2247772745	ZABZNYAHBYFHCU-UHFFFAOYSA-N	234.064	-0.614	50	10	BBGE	
C[C@@H]1CNCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786689	FDGDHRULOLANTF-IMSYWVGJSA-N	240.112	-0.646	50	10	BBGE	
COC1CC(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247790094	FOLUUMCWPWFIDC-XWJSGITJSA-N	241.096	-0.219	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)c1cncn1C	2247798525	VBWAGBUGMBUCTJ-XLPZGREQSA-N	237.068	-0.540	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247800824	TZGJDAFOFNSASW-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)C1CC(B(O)O)C1	2247810356	WTPWSFXTMNAMRE-KTOPAGBWSA-N	239.080	-0.752	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2nsnc12	2247847157	SFLJKQDBNFADBB-UHFFFAOYSA-N	247.044	-0.355	50	10	BBGE	
CO[C@@H](C)CCNC(=O)c1ccoc1B(O)O	2247866561	OHOYDHMKSWULSK-ZETCQYMHSA-N	241.052	-0.886	50	10	BBGE	
O=C(NC1(CCCO)CC1)C1(B(O)O)CCC1	2247877823	DYIQWIRNDCGOOO-UHFFFAOYSA-N	241.096	-0.195	50	10	BBGE	
C#C[C@]1(C)COCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247886354	AWTWDJBPCVVSAG-ATZCPNFKSA-N	237.064	-0.900	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247886463	BTMFFGCUFBMJQI-IMSYWVGJSA-N	240.112	-0.648	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)C(F)F	2248401132	FUHVOGRMRDPMSZ-UHFFFAOYSA-N	244.990	-0.421	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1c1ccncc1B(O)O	2248687532	DNWLHHCBECBUAR-DTWKUNHWSA-N	232.092	-0.004	50	10	BBGE	
C#CC[C@@H](CC)NC(=O)c1cc(B(O)O)co1	2249417240	CMXYCSPLMCNAOT-SECBINFHSA-N	235.048	-0.509	50	10	BBGE	
C[C@@H](C(=O)NCCC#CB(O)O)[C@H]1CCCO1	2249999581	XGWIAIYFTFPYBN-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
C[C@@H]1CCCCN1C(=O)c1ccncc1B(O)O	2255453099	ORDKIMKYPNYTHM-SECBINFHSA-N	248.091	-0.224	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1ccncc1B(O)O	2255454608	QTWWUPIPPTZABA-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
O=C(N1CC(n2cccn2)C1)C1(B(O)O)CCC1	2255458785	WLHYTGGGAUSPJL-UHFFFAOYSA-N	249.079	-0.337	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1	2255459280	DRJORRUNUNKYRA-FOKACVKASA-N	249.075	-0.974	50	10	BBGE	
C[C@H](c1cccc(O)c1)N(C)C(=O)C#CB(O)O	2255465780	ONFUBUCDKOQGPO-SECBINFHSA-N	247.059	-0.073	50	10	BBGE	
C#CCN(CC)C(=O)c1ccc(C)c(B(O)O)c1	2255511394	JDIREGHZLGJBAD-UHFFFAOYSA-N	245.087	-0.230	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C1(C)CCC1	2255729646	YZELERJXFAKJTR-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
Cc1ccc(C(=O)N2CC=CCN2)cc1B(O)O	2255737132	ZZSJUWUDDSWYHK-UHFFFAOYSA-N	246.075	-0.809	50	10	BBGE	
C[C@]12CC[C@H]1CCN2C(=O)c1n[nH]cc1B(O)O	2255762978	DQMIPHQSBGDTTE-CPCISQLKSA-N	249.079	-0.896	50	10	BBGE	
NCc1ccc(CNC(=O)[C@H]2C[C@H]2B(O)O)cc1	2255766387	CHDOAJAIBIPRGN-WDEREUQCSA-N	248.091	-0.376	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N[C@@H]1[C@H]2CC[C@H]21	2255893189	OOMYMUNSGWNQTF-URLYPYJESA-N	246.075	-0.104	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC(C2CCC2)C1	2258136314	KIYVDYGJESSPEV-UHFFFAOYSA-N	249.075	-0.169	50	10	BBGE	
C[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298369713	BYYUEDISVXQRSU-VCMDJLOCSA-N	239.080	-0.779	50	10	BBGE	
CC1(C)CCN[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298369862	HWNDKKLBZIIKTO-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]1c1ncon1	2298377063	CKLPMGIEJSCEBZ-RRKCRQDMSA-N	237.024	-0.794	50	10	BBGE	
C#CC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298377181	HHGWDXZAZSYEDQ-IVZWLZJFSA-N	237.064	-0.900	50	10	BBGE	
CC[C@@H](N)CNc1ccc(B(O)O)cc1C#N	2301345793	JPLYFYYETZOHCM-SNVBAGLBSA-N	233.080	-0.613	50	10	BBGE	
CC1(Nc2ccc(C=O)c(B(O)O)c2)COC1	2301420447	GDNURZSGCRDMLR-UHFFFAOYSA-N	235.048	-0.620	50	10	BBGE	
Cc1cnc(N(C)CC2(O)CC2)cc1B(O)O	2301864872	RHHNJHULPRSEKY-UHFFFAOYSA-N	236.080	-0.969	50	10	BBGE	
C=C(C)CC(=O)NCc1ccc(B(O)O)cc1	2302911040	RMJXTPMPEDHSSP-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
C[C@]12C[C@](C(=O)N3CC[C@@H](B(O)O)C3)(CO1)C2	2303103579	FOXXUNMGJUJVIT-FBIMIBRVSA-N	239.080	-0.369	50	10	BBGE	
OB(O)c1cc(=NCCCCCF)[nH]cc1F	2303834163	AVIPOXDAVZOGAM-UHFFFAOYSA-N	244.050	-0.126	50	10	BBGE	
CC(=O)N(C)C1CN([C@@H](C(=O)NN)C(C)C)C1	2307922821	GQZVLLNOFBEOPD-SNVBAGLBSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]3CC[C@H]2C3)[nH]c1	2312910855	CYAGXPMYBWFWEO-KXUCPTDWSA-N	247.107	-0.574	50	10	BBGE	
O=C(C#CB(O)O)N1CC=C(c2ccccc2)C1	2318671413	NKLIYBLCEHSBRA-UHFFFAOYSA-N	241.055	-0.072	50	10	BBGE	
OB(O)c1cc(-n2ccnc2C2CC2)ncc1F	2320787804	KWTPCRAEONNWFA-UHFFFAOYSA-N	247.038	-0.036	50	10	BBGE	
C#Cc1cc(NC(=O)C#CB(O)O)ccc1OC	2320894564	WMMXDBKPECOHKR-UHFFFAOYSA-N	243.027	-0.370	50	10	BBGE	
CNC(=S)NNC(=O)c1ocnc1C	36459993	VEZVQVGXWULCCJ-UHFFFAOYSA-N	214.250	-0.278	50	10	BBGE	
C[C@H](C(=O)NN)n1ccc(C(=O)N(C)C)n1	82878031	ZFVBJPLKIKQMMG-ZCFIWIBFSA-N	225.252	-0.864	50	10	BBGE	
CNC(=O)c1ccn([C@@H](C(=O)NN)C(C)C)n1	85196462	UIRFGFWQMMFKFE-MRVPVSSYSA-N	239.279	-0.570	50	10	BBGE	
CN1CCN(Cc2cc(C(=O)NN)co2)C1=O	110601488	QLDYMHQODSZUPH-UHFFFAOYSA-N	238.247	-0.250	50	10	BBGE	
CCOCCN(CCOCC)[C@H](C)C(=O)NN	126401661	HPMBQDPVZIFEJU-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
CCCC[C@@H](NC(=O)[C@@H](N)C(C)C)B(O)O	170068293	DPVYMNCQRPIQEA-BDAKNGLRSA-N	230.117	-0.343	50	10	BBGE	
C[C@H](Cl)C(=O)Nc1cn(CC(=O)O)nn1	170312567	XKKOKZQFXBNANZ-BYPYZUCNSA-N	232.627	-0.072	50	10	BBGE	
NNC(=O)N[C@H]1CCCC[C@@H]1C(N)=O	196651498	MCMOEFKKRRGIKR-WDSKDSINSA-N	200.242	-0.797	50	10	BBGE	
OB(O)[C@@H]1CCCN1C(=S)[C@H]1CCCN1	197548105	VQMXYVPCSGICBN-SFYZADRCSA-N	228.126	-0.458	50	10	BBGE	
Cc1oc(CN2CC[C@H](N)C2)cc1C(=O)NN	203224794	XWBOOWJEMKFCET-QMMMGPOBSA-N	238.291	-0.275	50	10	BBGE	
C[C@@H]1CCCN(c2cncc(B(O)O)c2)C1	203614178	HMNACMXBAGDNKC-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C2CC2)CC1	211938174	DYDUEIFOEIPTIJ-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
COCCCN/C=C(/C#N)C(=O)NCCOC	216543371	NQETXJPRVFJGAE-KTKRTIGZSA-N	241.291	-0.217	50	10	BBGE	
NC(=O)COCCNc1nnc(CCl)o1	230108671	WKMRGSODGGUVSL-UHFFFAOYSA-N	234.643	-0.278	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CCC(C)C	232420055	FDXVAIYXQLCVPZ-SECBINFHSA-N	217.313	-0.031	50	10	BBGE	
COC[C@@H](Sc1nccnc1N)C(=O)NN	234709215	UDXATYULYCVEGG-RXMQYKEDSA-N	243.292	-0.844	50	10	BBGE	
C[C@@H]1O[C@@H](CN(C)C)C/C1=N\NC(N)=O	238416443	JTMUOEXHTKFACI-IFCYVCEWSA-N	214.269	-0.250	50	10	BBGE	
OB(O)c1cnc(F)cc1C(F)(F)F	238634469	NOOLJLPZPYKSNV-UHFFFAOYSA-N	208.907	-0.081	50	10	BBGE	
C[C@H](C#N)CN(C)C[C@H]1CC[C@@H](C(=O)NN)O1	251097042	LSIRKZPQCIDYOB-BBBLOLIVSA-N	240.307	-0.385	50	10	BBGE	
C[C@@H](CN1CCCC[C@H]1CCO)C(=O)NN	251122048	RIIRVNOVUSIPHD-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](SCC(=O)NC)C(=O)NN	300781027	FRVMGSMEQPLZNO-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3C[C@H]2CO3)c1	307446981	XEPDCTWRNMUZAQ-NWDGAFQWSA-N	233.076	-0.661	50	10	BBGE	
C/C=C/CS(=O)(=O)NNC(=O)OC	308419116	ODOZZMATWNDSMD-ONEGZZNKSA-N	208.239	-0.247	50	10	BBGE	
O=C(CCl)NC(=O)NCCCn1cncn1	381878179	HFWVEKYYBJQPCI-UHFFFAOYSA-N	245.670	-0.267	50	10	BBGE	
COC1CN(Cc2nc(C(=O)NN)co2)C1	386623239	DONYZTDSTOJLGT-UHFFFAOYSA-N	226.236	-0.891	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCSC[C@@H]1CO	388212278	UYBIXMQNIQWCBK-DTWKUNHWSA-N	247.364	-0.445	50	10	BBGE	
COC(=O)CCc1cc(B(O)O)ccc1F	396044540	YMFRLDDGMOSIPM-UHFFFAOYSA-N	226.012	-0.389	50	10	BBGE	
CC(C)(C)SCCNC(=O)C(=O)NN	398446261	LHPRQAQWGUHFLF-UHFFFAOYSA-N	219.310	-0.376	50	10	BBGE	
CCc1cc(B(O)O)ccc1N[S@@](C)=O	404867389	CUJQARQXPBXOJK-OAHLLOKOSA-N	227.094	-0.366	50	10	BBGE	
C#CCOC(=O)Nc1ccc(F)c(B(O)O)c1	405071514	BUXJOXJHGISUST-UHFFFAOYSA-N	236.995	-0.313	50	10	BBGE	
NNC(=O)CNc1ccc(-n2cnnn2)cc1	586319490	VRMNYHOVHFEDTC-UHFFFAOYSA-N	233.235	-0.936	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@H]21	685956735	IFBJDDWMGDVGNL-NTSWFWBYSA-N	205.208	-0.294	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)CCN(C)C	688911463	OPBXJIFEZCCVBB-SECBINFHSA-N	216.329	-0.362	50	10	BBGE	
Cc1c(NN)ncnc1N1CCC(O)(C#N)CC1	692153874	YSAMNUPYQUVAGJ-UHFFFAOYSA-N	248.290	-0.075	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC2(N)CC2)CC1	692178513	PHUMCKVTHJKUHF-UHFFFAOYSA-N	223.276	-0.255	50	10	BBGE	
NNC(=O)C(=O)NCCCc1ccccn1	693831688	WTGFWAYMPBSRLR-UHFFFAOYSA-N	222.248	-0.880	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H]2C[C@@H]2C1	697514883	DHDAHARAJKGRQU-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CN(C)CC[C@H]1CCCCN1CC(=O)NN	701463788	YTUVPQSAQSJPBH-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C[C@@H](C)C(=O)NN	706206261	BCTNIEFWVJRMAR-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
CC(C)(CN1CCC(O)(C#N)CC1)C(=O)NN	709390677	NKTLYPSDROCLTN-UHFFFAOYSA-N	240.307	-0.647	50	10	BBGE	
C[C@H](c1cn(C)cn1)N(C)CC(=O)NN	710167342	MKXCKCBBDQEFSC-SSDOTTSWSA-N	211.269	-0.597	50	10	BBGE	
C#CC[C@H](O)CNc1nc(N)nc(CCl)n1	717912722	MBDVOHXSCRKWCV-LURJTMIESA-N	241.682	-0.011	50	10	BBGE	
CNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C	770850783	DXYHJBUNOOQDSC-PHDIDXHHSA-N	217.294	-0.464	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)NNc1nnc(C)n1C	856050432	PDKYQQWGUXUUQH-JGVFFNPUSA-N	239.279	-0.008	50	10	BBGE	
N#Cc1ccc(NNC(=O)[C@@H]2COC(=O)N2)nc1	1154501358	LRPFJFJEDIFIQQ-ZETCQYMHSA-N	247.214	-0.495	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccc(CO)nc1	1449269443	GCMLPROBJIQTCN-UHFFFAOYSA-N	239.231	-0.083	50	10	BBGE	
C=C[C@@H](O)C(=O)NNc1nncc(N)c1Cl	1629748574	FADHZMNJJXIZEQ-RXMQYKEDSA-N	243.654	-0.298	50	10	BBGE	
NC(=O)[C@@H](N)C[C@@H]1C[C@H]1Br	1877473326	RKOSKHLGUNOZPG-LMVFSUKVSA-N	207.071	-0.028	50	10	BBGE	
NCCN(CCN)C[C@H]1C[C@H]1Br	1881363394	VMWSSFYOZBDSRB-HTQZYQBOSA-N	236.157	-0.011	50	10	BBGE	
C[C@]1(CNC(=O)CBr)CC(=O)N1	1881620509	RSNROROYZPZPPM-SSDOTTSWSA-N	235.081	-0.224	50	10	BBGE	
CN(C)C[C@@H](N)C(=O)NC1CC(Cl)C1	1884410417	RKPBGXUZSXZAAS-KAVNDROISA-N	219.716	-0.239	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1S(=O)(=O)CCl	1885617313	VWLSXQMMLVNTRX-NTSWFWBYSA-N	243.712	-0.672	50	10	BBGE	
O=C1NC(=O)[C@@H](C2CN(C(=O)F)C2)N1	1887187415	BEHYSUIEODYKSL-SCSAIBSYSA-N	201.157	-0.784	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1CC(=O)NN	1887202037	PMAXFXDQVDFSEI-VXNVDRBHSA-N	201.270	-0.788	50	10	BBGE	
O=C(CCCl)N1CC([C@@H](O)CO)C1	1887273567	MPAMNVQTFPAUFE-ZETCQYMHSA-N	207.657	-0.573	50	10	BBGE	
COCc1nc(CNC(=O)NN)cs1	1887715809	HMAHJSSQGJPGFV-UHFFFAOYSA-N	216.266	-0.038	50	10	BBGE	
C[C@](F)(C(=O)NNC(N)=O)C(F)(F)F	1888974517	QMZLYGDNIGECAY-BYPYZUCNSA-N	217.122	-0.024	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN([C@@H](C)C(=O)NN)C1	1894667443	VLIDKIWLHFRWOP-DJLDLDEBSA-N	231.296	-0.900	50	10	BBGE	
NNC(=O)COC[C@@H]1C[C@@]12CCOC2	1895375274	OHVRXPBBEGNORW-IONNQARKSA-N	200.238	-0.581	50	10	BBGE	
C[C@H](CC(=O)NN)OCC1COCCOC1	1900891948	DZXOWXUUKSNUBV-MRVPVSSYSA-N	232.280	-0.566	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)/C=C/C(C)(C)N	1901375388	LDVZHIBHWAGNGH-VOTSOKGWSA-N	249.336	-0.407	50	10	BBGE	
C=C(C)CC(=O)Nc1ccnc(B(O)O)c1	1902360465	RXKILCPPAMVSKO-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
OB(O)[C@@H]1CCN(CCO[C@H]2CCOC2)C1	1902514220	WDOKNGIFNNRNJV-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
OB(O)[C@H]1CCN(CCc2cccnn2)C1	1902514382	XHGGFWOMFGFSES-VIFPVBQESA-N	221.069	-0.432	50	10	BBGE	
CC[C@@](C)(CN1CCSCC1=O)C(=O)NN	1902733510	URIGUOGNIXEUNH-JTQLQIEISA-N	245.348	-0.032	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1905583301	HXXQCRSRSMEARE-OPRDCNLKSA-N	241.096	-0.266	50	10	BBGE	
Cc1ccc(B(O)O)c(NC(=O)[C@@H]2C[C@@H]2F)c1	1907456117	SYDNQAWMTVGNGT-APPZFPTMSA-N	237.039	-0.029	50	10	BBGE	
C[C@H]1C(C(=O)Nc2ncccc2B(O)O)[C@@H]1C	1907973662	DTZQOTVDKJZXMX-RNFRBKRXSA-N	234.064	-0.398	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)S(=O)(=O)CC	1913825022	BIBUYUGQPXEODJ-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
NNC(=O)COCCN1[C@H]2CC[C@H]1CSC2	1914571625	KCFQKCQRHJWABX-IUCAKERBSA-N	245.348	-0.427	50	10	BBGE	
CCN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C1COC1	1915653520	LLKDKIHDUZEBMG-UWVGGRQHSA-N	243.307	-0.755	50	10	BBGE	
COC[C@@H](C)N(C)CC(F)(F)C(=O)NN	1927817026	WFNMSEILDZBDQD-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
NNC(=O)COCCOC[C@@H]1CCCO1	1928178242	DMTGLGNHOKBXCL-QMMMGPOBSA-N	218.253	-0.812	50	10	BBGE	
CCON(C)Cc1cc(C(=O)NN)no1	1928677697	FPSMYPNXNCHWGU-UHFFFAOYSA-N	214.225	-0.339	50	10	BBGE	
ClC[C@H]1COC[C@@H]1NCCn1cnnn1	1928739477	WLPUKNUVYRNFBK-YUMQZZPRSA-N	231.687	-0.484	50	10	BBGE	
CC[C@@H](O[C@@H]1CCCOC1)C(=O)NN	1932290267	KTQWGSYXDCLXKE-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
CN(CC(=O)NN)C1C[C@H]2COC[C@@H]2C1	1934806326	PXQNVSXXZCXVEW-YUMQZZPRSA-N	213.281	-0.667	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1936080216	IRJHAEVDQRSMOC-XFWSIPNHSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1O	1936095523	XXCFIKBOIYIMOS-RGOKHQFPSA-N	227.308	-0.685	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)Cn1cccn1	1937157661	MAKXIBYWLMESAK-ZETCQYMHSA-N	245.666	-0.220	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)C[C@@H]1O	1938230654	KYWYOZWMUMGNLS-QMMMGPOBSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N(C)CC)C1	1939076504	QOXUEOYJFKJLKR-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@H]2COCC[C@H]21	1940343111	HTLITYSQYLWYSB-BBBLOLIVSA-N	243.307	-0.755	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN2CCC1CC2	1940894571	XXKPVOARJNPKSC-UHFFFAOYSA-N	248.277	-0.608	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H](CO)C(C)(C)C	1941072036	HSXIBWQFLYJULD-LPEHRKFASA-N	243.351	-0.049	50	10	BBGE	
CN(C(=O)C(=O)NN)C1CCN(C2CC2)CC1	1941990068	UOYXWERCDSSIDY-UHFFFAOYSA-N	240.307	-0.939	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)[C@@H]1C(N)=O	1942616098	NIPSVKDJQUENFL-SCZZXKLOSA-N	242.323	-0.658	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C2(CC2)C1	1944604881	YQYPBBARQBKQJQ-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
Cc1cc(C)n(CC2(C(=O)NN)CC2)c(=O)n1	1945884768	WIDFCBPGBYCZEH-UHFFFAOYSA-N	236.275	-0.370	50	10	BBGE	
N#C[C@@H](O)[C@H](N)COc1ccccc1O	1952987781	RQBAHXUVQGGMJJ-VXNVDRBHSA-N	208.217	-0.017	50	10	BBGE	
O=C(CBr)[C@@H]1CN2CCN1CC2	1953447922	HFRMJXXPIIMLQZ-ZETCQYMHSA-N	233.109	-0.050	50	10	BBGE	
COc1cc(C(=O)NNCCO)ccn1	1957725144	RDRJWIRXZWHAFQ-UHFFFAOYSA-N	211.221	-0.683	50	10	BBGE	
CC[C@@H](O)CN(C)CC(F)(F)C(=O)NN	1959510551	DVXDBCCPKTYZHN-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@H](CN1CC[S@](=O)[C@H](C)C1)C(=O)NN	1961554608	VZONDKMOQHHTOI-PISXGGPESA-N	233.337	-0.935	50	10	BBGE	
CC(C)OCCOc1nc(B(O)O)cs1	1961694257	LSMTXUVXUJMUOB-UHFFFAOYSA-N	231.082	-0.373	50	10	BBGE	
CC[C@@H](C)N(C)c1ncccc1B(O)O	1961694323	MULYJOQMGMSOIH-MRVPVSSYSA-N	208.070	-0.004	50	10	BBGE	
CC[C@@H](O)CN(CCCC(=O)NN)C1CC1	1978305464	NKMSVNNKNDVYMM-SNVBAGLBSA-N	229.324	-0.008	50	10	BBGE	
N#CC1CN(Cc2nc(C(=O)NN)co2)C1	1978711285	JMDWXBXZXYVUMF-UHFFFAOYSA-N	221.220	-0.767	50	10	BBGE	
COC[C@]12C[C@@H]1CN([C@@H](C)CC(=O)NN)C2	1978982359	MBOGGRZFOKWODT-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(CCO)[C@H]1C[C@H]1C	1979616476	RBEBPLUOKNTDSG-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	1979849401	ODNBLXOGQUBLRX-LPEHRKFASA-N	231.340	-0.050	50	10	BBGE	
C[C@H]1C[S@](=O)CCN1CC1(C(=O)NN)CC1	1981192367	QWRLAWXLOOMUQN-ZKANADHPSA-N	245.348	-0.791	50	10	BBGE	
OB(O)c1cnccc1N1CCC[C@H]2C[C@@H]21	1981416685	RNOBNSHEXYQKCQ-KWQFWETISA-N	218.065	-0.250	50	10	BBGE	
C[C@H]1COCC(=O)N1CC(C)(C)C(=O)NN	1982047921	YVQGNMYSLXXHQF-ZETCQYMHSA-N	229.280	-0.750	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOC[C@H]1C(=O)O	1982967919	BKYJEGCZGNOIRJ-RNFRBKRXSA-N	231.252	-0.748	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@H](O)C[C@H]21	1984033064	IVXQNOUCLPBPQW-RRKCRQDMSA-N	235.234	-0.933	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC=C[C@@H]1CO	1985653750	XQRGBVHRDIGUDU-OPRDCNLKSA-N	225.292	-0.765	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C(C)C	1985714311	CPJBKLWOAFSRBG-BBBLOLIVSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)C(F)(F)COCCn1cccn1	1986447019	YCJZIUOGWFCRMW-UHFFFAOYSA-N	234.206	-0.475	50	10	BBGE	
COC[C@@H](C)CCOCCOCC(=O)NN	1987526650	ZROVZIJBVJNMOH-VIFPVBQESA-N	234.296	-0.318	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(B(O)O)cc1	1990070114	WVAOUIHVNRGNIS-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
C=C(CN(C)[C@H]1CN(C)C(C)(C)C1)B(O)O	1992144614	CHCUSFOVDZEINV-SNVBAGLBSA-N	226.129	-0.031	50	10	BBGE	
CC=CCNC(=O)c1ccccc1B(O)O	1992837457	YMDUQCXLNLHFIC-UHFFFAOYSA-N	219.049	-0.328	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2CC[C@H]3C[C@H]32)nc1	1995199181	LYYULEHFMRFNLG-NBEYISGCSA-N	220.037	-0.666	50	10	BBGE	
NNC(=O)Cn1ccc(Cl)c([N+](=O)[O-])c1=O	1995253246	FGLVPNUNWRVMOY-UHFFFAOYSA-N	246.610	-0.600	50	10	BBGE	
CN(CCCF)Cc1c(C(=O)NN)cnn1C	2003509604	MCZOIDGWQHFAAX-UHFFFAOYSA-N	243.286	-0.185	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCCCC2)n1	2005014332	JXWSXTXLOXAZBW-UHFFFAOYSA-N	235.096	-0.155	50	10	BBGE	
CN(CCCCC(=O)NN)C[C@@H]1[C@@H]2COC[C@@H]21	2006196638	BFBWADICHKSAHX-JGPRNRPPSA-N	241.335	-0.029	50	10	BBGE	
CCN(CCOCC(=O)NN)CC1(O)CCC1	2010570468	CPXPTCSIUXWDSH-UHFFFAOYSA-N	245.323	-0.770	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2C[C@H]1C[C@@H]1C(=O)NN	2014232052	AKNJMBCMDXWAEV-YTWAJWBKSA-N	238.335	-0.609	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(C)C2(CC2)C1	2014771028	DBHXQRXYNAVKLJ-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
OB(O)c1cc(F)cnc1OC[C@H]1CCOC1	2014927422	AIVSDNWNLCZJDG-ZETCQYMHSA-N	241.027	-0.684	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@@H]1CN(C)C	2019209895	LHMOJFRSXZIDMN-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
COC1(C(=O)NCC#CB(O)O)CCCCC1	2021157931	TZUHFNGFNYRFOA-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
OB(O)c1ccc(N2O[C@H]3C=C[C@H]2CC3)nc1	2021436815	IWKSHRCRQIDRAQ-UWVGGRQHSA-N	232.048	-0.400	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC[C@H]2C[C@@H]2C)n1	2022577825	BCBHQAOHASEAMZ-IMTBSYHQSA-N	236.080	-0.192	50	10	BBGE	
Cc1cnn(C)c1COc1ccccc1B(O)O	2036788660	ONWNTXUTZJJPFS-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)n1	2052558912	GRHYVMBLXBSNJC-KLBPJQLPSA-N	244.103	-0.086	50	10	BBGE	
Cc1nc(N2CCOCC23CC3)ccc1B(O)O	2052623520	KLMOKBOSKLIOGN-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H]3C[C@H]3C2=O)cn1	2056637149	NQKYGTHRYRKXOB-RKDXNWHRSA-N	246.270	-0.337	50	10	BBGE	
O=C(NCCc1cccc(B(O)O)c1)N1CCC1	2058066333	MTIZUZZRDPKMFK-UHFFFAOYSA-N	248.091	-0.676	50	10	BBGE	
CC12COC(Cn3cc(B(O)O)ccc3=O)(C1)C2	2058155409	KICKMISXIOXSNK-UHFFFAOYSA-N	249.075	-0.903	50	10	BBGE	
COc1ccc(B(O)O)c(OC)c1C#N	2060287509	QVZYHQSRUGEABY-UHFFFAOYSA-N	206.994	-0.745	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]1C1CC1	2071769778	QGBNDGHKYSJPLP-GXSJLCMTSA-N	247.107	-0.219	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H](O)C1)c1ccc(B(O)O)cc1	2079008293	HOVZLDDTRKWAOL-GHMZBOCLSA-N	249.075	-0.990	50	10	BBGE	
CC[C@H](C(=O)NN)N(CC)[C@H]1CCC[C@H]1O	2210165594	NXWVNEBMMAVKFF-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2[C@@H](O)CCC[C@@H]2C1	2210417880	MGGFWHIGVBAVTA-UTLUCORTSA-N	227.308	-0.541	50	10	BBGE	
CN1CC(N(C)Cc2cscc2B(O)O)C1	2211136991	ZAYFQSDHJLBKQI-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
CCC=CCCOc1ncc(B(O)O)cn1	2211604697	ODBDPNUSWCRXAF-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
CC[C@H](CO)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2211839675	XTEDBBHQUMSIRU-BBBLOLIVSA-N	229.324	-0.295	50	10	BBGE	
CN(CCC#N)c1nccc(B(O)O)c1F	2212606165	PNLSEOYCSKROJI-UHFFFAOYSA-N	223.016	-0.750	50	10	BBGE	
C[C@H]1CC[C@@H]1N(C)c1cc(B(O)O)ccn1	2212610243	FMHFBCDRNYBTON-WPRPVWTQSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCSC2)nc1	2212610411	IIBHFRBUIWYBKS-MRVPVSSYSA-N	239.109	-0.536	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@H](O)C[C@H]2C1)C(=O)NN	2213023724	FCMKGTSWUMBQTG-LPEHRKFASA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2213354744	JSLALOXLBUXWDO-LIJGXYGRSA-N	241.335	-0.154	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)[C@H](C)CN1C	2216200428	UTASVMIYUVXZOI-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
OB(O)c1ccc(=NC[C@@H]2CC[C@@H]3C[C@H]23)[nH]c1	2217179195	HTWCJQGAAQWDNC-YWVKMMECSA-N	232.092	-0.359	50	10	BBGE	
Cc1cnc(OCCNC2CC2)cc1B(O)O	2217183805	LBNNHYCHZAJJBH-UHFFFAOYSA-N	236.080	-0.799	50	10	BBGE	
CC[C@H]1C[C@@H](Nc2ncc(B(O)O)cn2)CO1	2217197517	NGYXLMFYALCPMA-BDAKNGLRSA-N	237.068	-0.864	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2C[C@H]3C[C@H]3CO2)nc1	2223643142	SBHVPBZWXMFZFR-YWVKMMECSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(OCC2=CCNCC2)cc1B(O)O	2223650735	QEFPSOMWMKAWLL-UHFFFAOYSA-N	248.091	-0.632	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C1CCNCC1	2223670312	WDWVSNIUIOSIJN-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
OB(O)c1cnc(NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)nc1	2223678383	BAGPHGUCYYVLLH-AKEJEFCPSA-N	245.091	-0.387	50	10	BBGE	
CS[C@@H](C)CCNC(=O)C#CB(O)O	2241467947	DVQVYECQVZRGTH-ZETCQYMHSA-N	215.083	-0.740	50	10	BBGE	
COC[C@]1(C)C[C@@H]1C(=O)NNC(N)=S	2241601065	CPWVWSVEITXVET-XRGYYRRGSA-N	217.294	-0.477	50	10	BBGE	
O=C(CCCCl)N1CC[C@H]1[C@@H](O)CO	2241811012	KWQHJLBWEOTEJD-YUMQZZPRSA-N	221.684	-0.041	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](O)[C@H]1C	2242160556	RKWISQXIXQLCKB-RNJXMRFFSA-N	201.270	-0.790	50	10	BBGE	
COC(=O)N[C@@H](C)CNS(=O)(=O)CCl	2242291455	IKXDBLVHFRZHBD-YFKPBYRVSA-N	244.700	-0.153	50	10	BBGE	
C[C@H](COC(F)F)NC(=O)C1(B(O)O)CC1	2243359613	UYYSULVZDCXUGE-RXMQYKEDSA-N	237.011	-0.263	50	10	BBGE	
C[C@@H]1CCNC[C@H]1NC(=O)C1(B(O)O)CC1	2243364090	QQIKUVRGYLXELK-HTQZYQBOSA-N	226.085	-0.892	50	10	BBGE	
O=C(NCC[C@@H]1CCNC1)C1(B(O)O)CC1	2243364597	ZMXFCPMDZSAGBJ-QMMMGPOBSA-N	226.085	-0.891	50	10	BBGE	
O=C(NC1[C@@H]2COC[C@@H]12)[C@H]1C[C@H](B(O)O)C1	2243395657	AJHAQZDOQYOPIV-WCTZXXKLSA-N	225.053	-1.000	50	10	BBGE	
CCN1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243395951	FCOIFBNJZCLYAO-IUCAKERBSA-N	226.085	-0.987	50	10	BBGE	
CC[S@@](=O)CCNC(=O)C1CC(B(O)O)C1	2243396903	SIZLADRWYWJKNW-NYRZJEEJSA-N	247.125	-0.876	50	10	BBGE	
O=C(N[C@@H](CO)C1CC1)C1(B(O)O)CCC1	2243410092	VHVLGFLQEZTVJO-QMMMGPOBSA-N	227.069	-0.729	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2243427559	XGEJGGGCKGCBNM-RYPBNFRJSA-N	226.085	-0.907	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C1(CC)CC1)B(O)O	2243432949	GEAQIHILWVVHNY-UHFFFAOYSA-N	247.125	-0.241	50	10	BBGE	
CO[C@H](C)CSc1ncc(B(O)O)c(C)n1	2243649937	IEWWWYPFZXJXHF-ZCFIWIBFSA-N	242.109	-0.408	50	10	BBGE	
C=CC[C@]1(CO)CCN([C@@H](C)C(=O)NN)C1	2244832979	LFEOSOHMVVWGIZ-ONGXEEELSA-N	227.308	-0.375	50	10	BBGE	
CCC1(Oc2ccc(B(O)O)cn2)COC1	2245015351	WDNZOOOWZIRILE-UHFFFAOYSA-N	223.037	-0.681	50	10	BBGE	
C[C@H]1CCCN(C(=O)c2coc(B(O)O)c2)C1	2247733767	QBJIZLZUPFREKI-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1cc(B(O)O)oc1C	2247734000	QLZPYQFQPPKBBX-ZETCQYMHSA-N	235.048	-0.733	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(B(O)O)c[nH]1	2247742291	MYBAXDPXOIBDFT-HTQZYQBOSA-N	236.080	-0.293	50	10	BBGE	
C[C@]1(CO)CCCCN1C(=O)C1(B(O)O)CC1	2247753554	APRBGVFHDZYGIR-SNVBAGLBSA-N	241.096	-0.243	50	10	BBGE	
O=C(N1CCNCCC12CC2)C1(B(O)O)CC1	2247754995	OXXNWDVULYAKIO-UHFFFAOYSA-N	238.096	-0.652	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247799222	AYUOOLSHHJPLGP-WOOKNIGNSA-N	240.112	-0.517	50	10	BBGE	
CC1(CO)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247805796	LBEDIFLSDMDQRT-RKDXNWHRSA-N	241.096	-0.530	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1cccc(O)c1	2247847952	DYGVTPVJLYMWKE-QMMMGPOBSA-N	233.032	-0.415	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H]1C[C@H]1F	2247854660	GRVZMRCIDVVCOR-ZJUUUORDSA-N	237.039	-0.485	50	10	BBGE	
CC(C)[C@@H]1CCN1C(=O)c1ccoc1B(O)O	2247866257	JCVPBQMRNCSRFT-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
Cc1cccc(C(=O)N(C)CCF)c1B(O)O	2247874212	OWMLUTCLUNYHSB-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
CC1(C)NCCC[C@@H]1NC(=O)C1(B(O)O)CC1	2247874761	TYCRYWPRPDHFIP-QMMMGPOBSA-N	240.112	-0.360	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@@H]1C(F)F	2247887474	OOROKXNWHGCCKR-FSDSQADBSA-N	249.022	-0.658	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@]1(C)CN	2247898848	IDAFCFFTWAHMLQ-REIXXSIJSA-N	240.112	-0.707	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)C1O	2247899763	PXRLXHHSWPEKSC-BGZDPUMWSA-N	241.096	-0.675	50	10	BBGE	
CCN(CCN(C)C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911580	XDRJZZBGUFBMJG-AOOOYVTPSA-N	242.128	-0.351	50	10	BBGE	
CN1C[C@H](CN2CCC(B(O)O)CC2)OC1=O	2249353496	IZBODJGZZNMMIN-SECBINFHSA-N	242.084	-0.624	50	10	BBGE	
Cc1cnc(N2CC[C@@]3(O)C[C@@H]3C2)cc1B(O)O	2254025576	QTSDGCLYDWLQFG-BXKDBHETSA-N	248.091	-0.969	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3occc3B(O)O)[C@H]1C2	2255487850	VXQNSGRWQNZRTG-JWKOBGCHSA-N	249.075	-0.122	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)Nc2cn[nH]c2)c1	2255511206	FRZRIVKUULFFNL-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CCC1(CNC(=O)c2cncc(B(O)O)c2)CC1	2255524111	VJRCCPWECOHLGH-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
COc1cc(C(=O)N2CC(C)C2)ccc1B(O)O	2255552536	MOTWMGHTIWMXBX-UHFFFAOYSA-N	249.075	-0.533	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1	2255669733	SQPLIQWDRNJJAL-GWOFURMSSA-N	249.075	-0.926	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(B(O)O)c[nH]1	2255670473	FWMOTZHWJHFNGM-VHSXEESVSA-N	248.091	-0.387	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@]2(C)C[C@@H]2C)n1	2255731215	BTAVDNMMKWIINL-JVXZTZIISA-N	248.091	-0.402	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1ccc(B(O)O)cc1O	2255953992	RFHAPMTVODGBKA-SECBINFHSA-N	247.059	-0.480	50	10	BBGE	
CC1=CCN(C(=O)c2cc(B(O)O)ccc2O)C1	2256017348	DZQZPGSCRPDMFD-UHFFFAOYSA-N	247.059	-0.526	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2CCO[C@]2(C#N)C1	2298175798	FJBFGLLCPVGIFW-ATZCPNFKSA-N	238.291	-0.631	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3B(O)O)C[C@H]12	2298368941	CTQXPHCIINTQHT-AZVNGCGHSA-N	238.096	-0.909	50	10	BBGE	
C[C@@](N)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2298371666	RGZFJUWWHBBSNT-FXPVBKGRSA-N	240.112	-0.517	50	10	BBGE	
CO[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376295	QCALSOZGIFJLCJ-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCCO[C@@H]12)[C@H]1C[C@@H]1B(O)O	2298377346	NPFSNRPJQRIVMB-MQIGXGKASA-N	239.080	-0.610	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCO[C@@H]2C[C@H]21	2300393267	KYVWIGCBIQNLDR-LNFKQOIKSA-N	239.319	-0.134	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CCOC[C@@H]1CO	2302021779	DIKRPTRZKXMSCS-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CC(C)N(C)C[C@@H](O)CN1CC[C@H](B(O)O)C1	2303131239	AHSFOCHNTCNTPH-WDEREUQCSA-N	244.144	-0.764	50	10	BBGE	
CN1CC[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303835190	SCWFPRBZGAHVDG-SSDOTTSWSA-N	239.059	-0.984	50	10	BBGE	
CC1(CNc2cc(B(O)O)c(F)cn2)COC1	2303848438	ZPNIILJUUPNRIY-UHFFFAOYSA-N	240.043	-0.651	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1cc(B(O)O)ccn1	2312614608	ZSWVGJWOLRKQTC-MPKXCIJOSA-N	248.091	-0.734	50	10	BBGE	
CC12CC(C1)[C@@H](Nc1ncc(B(O)O)cn1)CO2	2315934639	XJFWGUJDYNQIOK-DMGUCSGOSA-N	249.079	-0.864	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@]12COC[C@@H]1C2	2317152084	XZSRHWRHNZKMAK-CABZTGNLSA-N	244.059	-0.561	50	10	BBGE	
C[C@]1(COc2cncc(B(O)O)c2)CC=CCO1	2317464552	SEZWXZFQJUURSD-GFCCVEGCSA-N	249.075	-0.125	50	10	BBGE	
COC(=O)CNC(=O)CBr	41711255	RQJHTBGRPRJKBO-UHFFFAOYSA-N	210.027	-0.330	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCCO1	82469915	TVQUSTHOFCKWCH-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)CCN1C	82485313	GXMISTYSUOROHM-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CC1(C)CC(=O)N(CCCC(=O)NN)C1=O	83687286	SSFJKSCVQGWLJZ-UHFFFAOYSA-N	227.264	-0.458	50	10	BBGE	
CC(=O)NNC(=O)CSCC(C)(C)N	85350896	OHQTXKKZJUHOHS-UHFFFAOYSA-N	219.310	-0.376	50	10	BBGE	
Cc1nc(C)n(C[C@H]2CC[C@@H](C(=O)NN)O2)n1	110602986	RUHGBHDZFLFFFC-BDAKNGLRSA-N	239.279	-0.568	50	10	BBGE	
CCCOCCOC[C@@H]1CC[C@H](C(=O)NN)O1	111111611	KSEBNBGMJMXMCT-VHSXEESVSA-N	246.307	-0.033	50	10	BBGE	
NNC(=O)c1occc1CN1CC[C@H](CO)C1	163069631	SBLCDGQRPLBVLP-QMMMGPOBSA-N	239.275	-0.303	50	10	BBGE	
C[C@@H](NC(=O)NN(C)C)[C@@H](C)C(=O)O	165775981	LQVKQRGBFZPLEM-PHDIDXHHSA-N	203.242	-0.129	50	10	BBGE	
OB(O)c1cc(F)ccc1-c1ncon1	170013747	VNDSXBAFJXDGMG-UHFFFAOYSA-N	207.957	-0.445	50	10	BBGE	
CC(C)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)B(O)O	195196301	ASNSCWBTALGNHQ-DTWKUNHWSA-N	244.144	-0.097	50	10	BBGE	
CCOCCOc1ccc(B(O)O)cn1	197159665	VEPXYSNRBYIIOK-UHFFFAOYSA-N	211.026	-0.823	50	10	BBGE	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C(=O)NN	226213010	CAOCYJYHEJCWHL-CSMHCCOUSA-N	213.281	-0.083	50	10	BBGE	
COCCN(CC(C)C)[C@@H](COC)C(=O)NN	232419629	DYCCXRPZFJEENG-JTQLQIEISA-N	247.339	-0.404	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)CCCCC(=O)NN	234374620	YIOPEIXRRBTKRW-SECBINFHSA-N	244.339	-0.540	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(C)=O	238446102	PZYTYORKBWJUKX-UHFFFAOYSA-N	209.010	-0.667	50	10	BBGE	
NNC(=O)[C@H](C(=O)O)[C@@H]1CCCC[C@@H]1O	238554582	PXQLPPSFYUQIFW-DSYKOEDSSA-N	216.237	-0.772	50	10	BBGE	
O=C=NC1(c2ccc3c(c2B(O)O)OCO3)CC1	258308243	JVELXGBSHTTYBR-UHFFFAOYSA-N	247.015	-0.580	50	10	BBGE	
NNC(=O)C1(c2ccc3[nH]c(=O)[nH]c3c2)CC1	259036239	SEWUIBSXMMMRPI-UHFFFAOYSA-N	232.243	-0.122	50	10	BBGE	
C/C=C(\C)C(=O)NNC(=O)[C@H]1COCCO1	267660758	KCVWHGCGBJVAOH-HOOMWESVSA-N	228.248	-0.485	50	10	BBGE	
C[C@@H]1NC(=O)[C@@H]2CNC(=O)[C@H]2[C@@H]1Br	306895555	NBTUSYZSWWLMGP-SLPGGIOYSA-N	247.092	-0.370	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1CCC(=O)NN	306903094	IKAGWFNBEQYUJC-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H](CCl)C(=O)N[C@H]1CONC1=O	307167860	SSVRQVVVFHAMLA-WHFBIAKZSA-N	206.629	-0.593	50	10	BBGE	
Nc1ccc(F)c(OC(F)(F)F)c1B(O)O	321694014	ORMBADXGJNXLLP-UHFFFAOYSA-N	238.933	-0.014	50	10	BBGE	
COC(=O)NNS(=O)(=O)CCCF	379405300	SYWVQPRZPHPJPJ-UHFFFAOYSA-N	214.218	-0.464	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@@H]3C2)n1	380325563	KHRWZTJGXQTIMC-RNFRBKRXSA-N	222.248	-0.270	50	10	BBGE	
CNC(=O)C1CN(C(=O)NC(=O)CCCl)C1	381910779	AOEADBUKYBDKMD-UHFFFAOYSA-N	247.682	-0.471	50	10	BBGE	
CN(CCC(N)=O)[C@@H](C(=O)NN)C(C)(C)C	382059898	DFSXINYRIMARAX-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
C[C@@H](CN(C)CCCCO)C(=O)NN	384826101	RTQPQCVDRHLVLI-QMMMGPOBSA-N	203.286	-0.683	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CO)[C@@H]1C	385611248	FGXQWUYDBNZWEI-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CCc1nnc(CN2CC(=O)OC(=O)C2)s1	392089527	PYASXWFNUXTFNZ-UHFFFAOYSA-N	241.272	-0.014	50	10	BBGE	
O=Cc1csc2c(CO)cc(B(O)O)cc12	396330944	DAAQXHFAOICVNG-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C1CC[C@@H](NC(=O)NC(=O)CCl)CCN1	396703736	JNRJFTSLYGGESC-ZCFIWIBFSA-N	247.682	-0.280	50	10	BBGE	
C[C@@H](C[S@@](C)=O)N(C)CCCC(=O)NN	399992085	UUYIJHAAUVMHIB-VXJOIVPMSA-N	235.353	-0.545	50	10	BBGE	
CSC[C@@H]1CCCN1C(=O)C(=O)NN	400313678	BTVWZFVQQXTUOG-LURJTMIESA-N	217.294	-0.670	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C1CC1	405032990	RFFPAWROKTYRPV-UHFFFAOYSA-N	206.010	-0.890	50	10	BBGE	
CCOCCOCC(=O)NN(C)C(=O)OC	495692843	KBGQASSNNOCGHZ-UHFFFAOYSA-N	234.252	-0.231	50	10	BBGE	
CCOC(=O)NNC(=O)Cc1ccnn1C	496789212	CJRMLAAIJGOEBA-UHFFFAOYSA-N	226.236	-0.260	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1	584943954	MDPCTKXXOZULNF-LLVKDONJSA-N	249.075	-0.773	50	10	BBGE	
C=CC[C@H](CO)NCc1cccc(B(O)O)c1	585039835	WJFNQBVFIBTEBN-GFCCVEGCSA-N	235.092	-0.607	50	10	BBGE	
Cc1nnnn1-c1ccc(NCC(=O)NN)cc1	586263112	CMGGNSOXVYUZOK-UHFFFAOYSA-N	247.262	-0.627	50	10	BBGE	
N#CC1(O)CCN(c2cc(NN)nc(N)n2)CC1	692153816	XAHBWNHABWSSEA-UHFFFAOYSA-N	249.278	-0.801	50	10	BBGE	
C[C@@H]1C(=O)NC(=O)CN1C(=O)OCCl	692833146	LTBMWVMPUMIEDB-SCSAIBSYSA-N	220.612	-0.334	50	10	BBGE	
Cc1nn(C[C@H]2CCCO2)c(C)c1B(O)O	694271135	PDHOMBMBWBIFRW-SECBINFHSA-N	224.069	-0.641	50	10	BBGE	
CSCc1ccc(C(=O)NCB(O)O)o1	702032461	LSJLXOKXPWLRHL-UHFFFAOYSA-N	229.066	-0.116	50	10	BBGE	
CC(=O)NNC(=O)CN(C)c1ccc(N)cc1	702123610	DXBAOKFBZABXQY-UHFFFAOYSA-N	236.275	-0.128	50	10	BBGE	
CCOC(C)(C)Cn1ccc(B(O)O)n1	702657416	TWRHIMLHPGTMEG-UHFFFAOYSA-N	212.058	-0.622	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1(CO)CC1	703424658	INQVIYBPIKTNEL-RNFRBKRXSA-N	211.217	-0.572	50	10	BBGE	
C[C@@H](CN1[C@H]2CC[C@H]1C(=O)OC2=O)N(C)C	703468810	FYKFRRWMERFNOT-CIUDSAMLSA-N	226.276	-0.147	50	10	BBGE	
C[C@H](CN(C)C[C@H]1C[C@@H](O)C1)C(=O)NN	703806923	TXNLATIOMNQSHY-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
CCOC[C@@H]1CCN([C@H](COC)C(=O)NN)C1	708275397	ZLNAIJQDPSKTGI-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CN(C)C(=O)N1CCCc2cccc(B(O)O)c21	712133906	RSPZYYADJHIQDS-UHFFFAOYSA-N	248.091	-0.199	50	10	BBGE	
O=C(CO)NNC(=O)c1ccc2c(n1)CCCC2	753445434	IXJAMBINBVUIKH-UHFFFAOYSA-N	249.270	-0.286	50	10	BBGE	
C[C@@H]1OCC(=NNC(=O)c2cn(C)nn2)[C@H]1C	853382603	GVFMLBBQDJVSBH-BQBZGAKWSA-N	237.263	-0.044	50	10	BBGE	
NNC(=O)NC[C@@H]1CCCCNC1=O	885828928	RYDFVBPNZYUWQR-LURJTMIESA-N	200.242	-0.924	50	10	BBGE	
CCC(C)(C)C(=O)C(=O)NNC(=O)NC	900353081	OAKBNPIDZHDUFW-UHFFFAOYSA-N	215.253	-0.048	50	10	BBGE	
CCCNC(=O)NNC(=O)COC1CC1	900392962	IOAGMCQGTLUNLR-UHFFFAOYSA-N	215.253	-0.094	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)NC2CC2)n1	1321017208	FXYYBKUFIMVSOK-UHFFFAOYSA-N	235.247	-0.109	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1n[nH]cc1F	1463574461	QNGNZZFFFMSCAL-UHFFFAOYSA-N	212.184	-0.280	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1cn[nH]c1	1534089551	CYHBFQFTPMRRRK-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1cc[nH]n1	1584322685	YTKKVXRHZAWAGN-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CC[C@H](C)OCC(=O)NNC(=O)c1ncon1	1585613496	GBEPOTYDSMWXIH-LURJTMIESA-N	242.235	-0.354	50	10	BBGE	
CC(=O)CCC(=O)NNC(=O)c1ncccn1	1626776403	RBBZEOGDQRHBEG-UHFFFAOYSA-N	236.231	-0.393	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)Cc1ccncc1	1629366040	OQMGTQSUDPDMGV-UHFFFAOYSA-N	235.243	-0.680	50	10	BBGE	
Cc1nnc(NNC(=O)CC2COC2)n1C	1641993475	RKXLKCNXPHWBEM-UHFFFAOYSA-N	225.252	-0.397	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCN1CC[C@H](F)C1	1642192363	DSJJZWHGTDHGNJ-ZJUUUORDSA-N	247.314	-0.236	50	10	BBGE	
O[C@H]1CCN(CCBr)C[C@@H]1O	1880342109	VYPLOFNMRHJBEU-BQBZGAKWSA-N	224.098	-0.191	50	10	BBGE	
O=C(NCC1CC(Cl)C1)c1nn[nH]n1	1893510481	YLWFNUIURPBPRR-UHFFFAOYSA-N	215.644	-0.053	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@@H]2CCC[C@@H]21	1894650322	AIZSMZYVFYNCPW-GUBZILKMSA-N	227.308	-0.398	50	10	BBGE	
C[C@H](O)CCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1899927599	RPMXTPHCJJVXLV-AEJSXWLSSA-N	229.324	-0.295	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](O)[C@@H]1C	1901768173	ZLHIWRPZODMHSQ-GUBZILKMSA-N	229.324	-0.010	50	10	BBGE	
CC(C)S(=O)(=O)CCN1CC[C@@H](B(O)O)C1	1902504996	BXISQPDUNDSBMQ-SECBINFHSA-N	249.141	-0.642	50	10	BBGE	
COC[C@@H](C)OC(=O)N1CC[C@@H](B(O)O)C1	1902548134	HPLMWLWFYQSXFD-HTQZYQBOSA-N	231.057	-0.293	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1	1905583328	IBFHJBMSSKFQLA-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3COC[C@H]32)C1	1908820928	SABKJYYVVCBKRZ-ZRUFSTJUSA-N	239.319	-0.277	50	10	BBGE	
CCCN(C)C1CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1909681537	TZFPALVXDPYBQG-GXSJLCMTSA-N	240.351	-0.362	50	10	BBGE	
CN(CCF)CCOc1ccc(B(O)O)cc1	1917269563	STUJIVRKECNAFT-UHFFFAOYSA-N	241.071	-0.354	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](O)CC(C)(C)C1	1923154501	GPRLZDPGWCSUBE-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](CC#N)N(C)CC(F)(F)C(=O)NN	1927815724	ANPKHEZHCKBSJC-ZCFIWIBFSA-N	220.223	-0.154	50	10	BBGE	
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NN)C1	1928135099	RHBYLMIJSUIWCZ-BQBZGAKWSA-N	235.309	-0.485	50	10	BBGE	
O=C(Cn1cnnn1)N1CC[C@H](Cl)C1	1928696279	LRTZLTYFKGQHCK-LURJTMIESA-N	215.644	-0.487	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@](C)(O)CO1	1930291796	QKRLGXGNJNHKTD-APPZFPTMSA-N	217.269	-0.857	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]2(CCO2)C1	1932813207	XSQQOKPQEIAMHO-WCBMZHEXSA-N	213.281	-0.380	50	10	BBGE	
Cc1csc(CN[S@@](C)=O)c1B(O)O	1935197224	TYOZVXZNKFXHOW-CQSZACIVSA-N	233.123	-0.881	50	10	BBGE	
O=C(O)C[C@@H](CC(=O)NNCCO)C(F)F	1937996765	JZTUZRJLQODNHI-RXMQYKEDSA-N	240.206	-0.654	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1C[C@@]12CCOC2	1939729641	YNVUAIOSFZYBQP-MWLCHTKSSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)C(=O)NCC1([C@@H]2CCCO2)CCC1	1941014866	CBTFFSUIVIEVHP-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C(=O)CCCCC1=O	1941085540	DPYWCPMIXIHNLV-JGVFFNPUSA-N	239.275	-0.458	50	10	BBGE	
CN(CC1(O)CCCC1)CC1(C(=O)NN)CC1	1945882945	QHGYDVDPIJLVQC-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
OCCO[C@@H]1CCN(C[C@@H](O)CCl)C1	1956308631	DWDMVQJMCCKAFZ-DTWKUNHWSA-N	223.700	-0.331	50	10	BBGE	
CN(C)NC(=O)[C@H]1COC(C)(C)CN1	1956399355	LYQFBVBNDSSXAA-SSDOTTSWSA-N	201.270	-0.654	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CC[C@@H](O)CC1	1958632557	CLJOGKBLEHUARQ-HLTSFMKQSA-N	215.297	-0.400	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC2(CC2)C1	1980206036	VCDXIMVWTBRXME-RKDXNWHRSA-N	225.292	-0.523	50	10	BBGE	
C[C@@H](CN1CC[S@](=O)C(C)(C)C1)C(=O)NN	1980950293	RUZIXTUPODJAAP-PWJLMRLQSA-N	247.364	-0.545	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cnn(C)n1	1981349774	YEBKZCAJJAZJBE-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
C[C@@]1(F)CCN(c2ccncc2B(O)O)C1	1981414636	UQEAGYDURDGYPE-SNVBAGLBSA-N	224.044	-0.300	50	10	BBGE	
Cc1nc(N(C)C2CCC2)ncc1B(O)O	1981447567	PIWWVIBJFUNDDK-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
OB(O)c1csc(N2CCOCC23CC3)n1	1981470689	DAHOSUCBJNVSMN-UHFFFAOYSA-N	240.093	-0.808	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1CN2C	1987187937	ONTMFLZBPSSZSM-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC(C)(C)C(=O)NN	1990041473	RUVPELHBNYKUPU-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1OC2(C(=O)NCC=CB(O)O)CC1C2	1991329205	HXJQRPVNKYVJSC-ZNFPMYQNSA-N	225.053	-0.762	50	10	BBGE	
O=C(NCC#CB(O)O)C1[C@@H]2CCCC[C@@H]12	1992146517	UUQMRMGWNJXSFB-RKDXNWHRSA-N	221.065	-0.446	50	10	BBGE	
C=C(CN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1)B(O)O	1992391586	BXYOZXOGPMAMCK-XWLWVQCSSA-N	223.081	-0.051	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)/C=C/C(=O)Cl)C[C@H]21	1993438659	UVKBKTJKKZWTKA-NBDWIFLDSA-N	242.662	-0.502	50	10	BBGE	
Cc1noc(CN(C)C[C@H]2C[C@@H]2C(=O)NN)n1	1997733003	FQULBHVUSURVKI-SFYZADRCSA-N	239.279	-0.564	50	10	BBGE	
Cc1noc(CN(C)[C@H](C)[C@H](C)C(=O)NN)n1	1997733766	SHVBGZUKPRVBHS-NKWVEPMBSA-N	241.295	-0.176	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@]1(C)CO	2003269188	UBWWGZLRXHNUDS-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
NNC(=O)CCCCCN1C[C@H]2C[C@H]1C[C@H]2O	2004603071	PTXPVONOERKPRP-OUAUKWLOSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	2004912237	QIWLELOVOZWNTJ-SECBINFHSA-N	235.096	-0.217	50	10	BBGE	
CC[C@H]1CCN(c2ncncc2B(O)O)[C@@H]1C	2004912739	XOELVIYJJLPZJW-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
CC(C)(C)[C@H]1CCN1c1ncc(B(O)O)cn1	2004919745	CKPGALYYPMMULT-SECBINFHSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1CCOC(F)(F)C1	2004930901	YCKVLFBWOQVESJ-UHFFFAOYSA-N	244.006	-0.809	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCCCO1	2004950058	ARXXDYGOAUVRAK-SECBINFHSA-N	237.064	-0.291	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)CC(C)(C)C(=O)NN	2007574081	OIWBLPANWVULSA-IVZWLZJFSA-N	241.335	-0.031	50	10	BBGE	
CO[C@H]1COC[C@H]1N(C)CC1(C(=O)NN)CC1	2008155569	OAFZPCXEFIVQDI-BDAKNGLRSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](CN1CC[C@H](CO)C12CCC2)C(=O)NN	2016080534	OAHHPPAJBQKBFM-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@H]1C[C@@H]1CF	2016763811	NRCSOAPUCVTNQS-SVRRBLITSA-N	238.027	-0.695	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COCC[C@H]1C	2019209802	KTNAVSKZKKWRQR-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)N(C)[C@H](C)C1	2019214151	XWCVMCKTTPARAZ-DTORHVGOSA-N	242.323	-0.822	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)NCC#CB(O)O)CC1	2021113163	DIYRAAIXPMAUHO-MGCOHNPYSA-N	238.096	-0.120	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2024087736	ZQUTTXYBJDSTRT-XFWSIPNHSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)C1(Cn2nc3ccccn3c2=O)CC1	2033728561	UCPWKVAMQTXWLB-UHFFFAOYSA-N	247.258	-0.734	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@@H](C)[C@H]2C)n1	2052623509	KGJMRZNCCNTPOZ-DJLDLDEBSA-N	249.123	-0.054	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cccn2cnnc12	2056958848	WIBSEGAUZIKEEQ-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
CCOc1cc([N+](=O)[O-])cc(OC)c1B(O)O	2060014630	PYAKOLWXYSOHBB-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CN1CCC[C@@H](OCc2ccccc2B(O)O)C1	2077337760	MIMZODNUKQZBPX-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CC[C@@H]1CO	2208987125	ZYFPHBLKKKIHHH-RITPCOANSA-N	213.686	-0.127	50	10	BBGE	
CN(CCCF)c1nccc(B(O)O)c1F	2212604543	QADJEPGBIGINRZ-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
C#C[C@@H](CC)Nc1nccc(B(O)O)c1F	2212605619	HNXGGQRPAIDVRD-ZETCQYMHSA-N	222.028	-0.276	50	10	BBGE	
CN[C@H](C)CCOc1ccc(B(O)O)cn1	2212606291	ROGFXYHWGDEVLD-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
COCC(C)(C)Nc1cc(B(O)O)ccn1	2212610329	GZPUIHQWCPRGTF-UHFFFAOYSA-N	224.069	-0.402	50	10	BBGE	
CCCSCCN=c1ccc(B(O)O)c[nH]1	2212614735	GTQHBMNWUJAKBS-UHFFFAOYSA-N	240.137	-0.262	50	10	BBGE	
CO[C@H]1CC[C@H]1COc1cncc(B(O)O)c1	2215110472	SIYXRVAYXPMSTJ-KWQFWETISA-N	237.064	-0.435	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@@]2(CCO2)C1	2215778124	XLLSFVUMIARGRO-CKYFFXLPSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CCO)CCC1	2216528451	PBVLQOVQORCTFK-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2[C@H]3CCOC[C@H]32)c1	2217174472	ZQWCUXGWXMAJBX-IQJOONFLSA-N	234.064	-0.792	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217180256	GFUMCSZAYPDTDK-ONGXEEELSA-N	236.080	-0.341	50	10	BBGE	
CCNC[C@H](CC)Oc1ncccc1B(O)O	2217182549	FAHXTQKAGZRKPU-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
C[C@H](CCCN)COc1ncccc1B(O)O	2217194284	UKNVUHANWXVIJI-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
OB(O)c1ccc(COCCOCCF)cc1	2217427600	UFRJMSGZXRURPA-UHFFFAOYSA-N	242.055	-0.131	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2CCN[C@H]3CC[C@H]32)c1	2223624583	AITORXIPKOOZGF-OUAUKWLOSA-N	247.107	-0.686	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1CCC[C@H](N)C1	2223641553	UTIOSMXGOFYGMU-WDEREUQCSA-N	249.123	-0.533	50	10	BBGE	
CN(C[C@]1(C)C=CCC1)c1ncc(B(O)O)cn1	2223644202	GDOXTWNULKJBQX-GFCCVEGCSA-N	247.107	-0.051	50	10	BBGE	
Cc1cnc(N2CC3(CCOC3)C2)cc1B(O)O	2223646980	RMYBZDHDNNVVQD-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
C[C@]12C[C@](CNc3ccc(B(O)O)cn3)(CO1)C2	2223648391	KNFDLGNGKSWOOR-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
NCc1ccc(Oc2ncc(B(O)O)cn2)cc1	2223662495	UJOOQAYJNWSEOO-UHFFFAOYSA-N	245.047	-0.593	50	10	BBGE	
C=CCO[C@@H]1CCN(c2ccc(B(O)O)cn2)C1	2223676508	BTRQJMZHVSFPCQ-LLVKDONJSA-N	248.091	-0.457	50	10	BBGE	
OB(O)c1ccnc(N2[C@H]3CC[C@@H](O)[C@H]2CC3)c1	2223678231	YWWUSKGOANHTBZ-GMTAPVOTSA-N	248.091	-0.747	50	10	BBGE	
C[C@H]1CCN(c2cc(B(O)O)ccn2)[C@H](CN)C1	2223679501	QJLUPCJADYUTOL-ONGXEEELSA-N	249.123	-0.675	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1CC[C@@H]2C[C@H]2C1	2224024964	KQKCLDNAUHFNBP-OPRDCNLKSA-N	248.091	-0.641	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1[C@H]2CCCC[C@H]21	2224026852	QLOYGMHPFSCTTF-JGPRNRPPSA-N	248.091	-0.641	50	10	BBGE	
CN(CCC#N)S(=O)(=O)N1CC(Cl)C1	2241338897	TZZGKWOSFJTOQS-UHFFFAOYSA-N	237.712	0.000	50	10	BBGE	
N[C@@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2243365245	KDJWYXDAHZGHLW-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
COCC(C)(C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243396222	JHKBGCLHWKLZAC-JGVFFNPUSA-N	229.085	-0.267	50	10	BBGE	
CCONC(=O)c1ccc(B(O)O)cc1F	2243408517	OSFHSRXSXHMUON-UHFFFAOYSA-N	227.000	-0.813	50	10	BBGE	
C#CCNC(=O)c1cc(Cl)ccc1B(O)O	2243411001	MAEPZCIVYLSCOO-UHFFFAOYSA-N	237.451	-0.617	50	10	BBGE	
CCC(CC)NC(=O)c1c[nH]nc1B(O)O	2243417605	VAPRRLXLJMXMIY-UHFFFAOYSA-N	225.057	-0.992	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1C[C@H]1Cl	2243696996	GFIGVHQLDIATIF-HTRCEHHLSA-N	239.467	-0.068	50	10	BBGE	
CC[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247744080	NFFQSCZHUVKNKR-SECBINFHSA-N	237.064	-0.122	50	10	BBGE	
Cc1ccc(C(=O)N[C@H]2C[C@@H]2F)c(B(O)O)c1	2247752232	LJYKUOAMPRWAIK-UWVGGRQHSA-N	237.039	-0.485	50	10	BBGE	
C=C1CN(C(=O)c2cc(B(O)O)cn2CC)C1	2247752403	OSEYUMHPFJMNCJ-UHFFFAOYSA-N	234.064	-0.800	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1CO	2247754638	GYRVVCVGTHILON-BDAKNGLRSA-N	241.096	-0.530	50	10	BBGE	
C[C@@H]1CNC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247756188	MOMWAELWPBSKKU-RKDXNWHRSA-N	240.112	-0.645	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)n[nH]1)C1(C)CC1	2247786080	VJMUJQWJMOVBAZ-LURJTMIESA-N	237.068	-0.992	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@H]2C[C@H]1CO2	2247787254	MPNIJEGQYNZASL-JXUBOQSCSA-N	239.080	-0.371	50	10	BBGE	
CCC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247797902	OFNPOQMPLVJWIC-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCOC[C@H]1F	2247799294	BORMLCORVSLUHL-XAVMHZPKSA-N	245.059	-0.565	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247810337	WNKSHSRIFQGKJE-SFYZADRCSA-N	235.052	-0.736	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1C[C@H]1F	2247853178	HKOLVLVWDDYGKX-POYBYMJQSA-N	241.027	-0.644	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2COC[C@@H]2C1	2247859824	PXOSBQPONXQVOB-RGOKHQFPSA-N	239.080	-0.656	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCOC[C@H]1C(F)F	2247887475	OOROKXNWHGCCKR-QYNIQEEDSA-N	249.022	-0.658	50	10	BBGE	
N[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247898451	DQIQWUNKQVLYOM-XFWSIPNHSA-N	240.112	-0.375	50	10	BBGE	
O=C(NC[C@@H]1CC2(CC2)CO1)[C@H]1C[C@H]1B(O)O	2247898996	JIUMRFUOPDTEOX-XHNCKOQMSA-N	239.080	-0.465	50	10	BBGE	
C=C(F)CNC(=O)Nc1cccc(B(O)O)c1	2247971622	OGGQGWMRMWPRLS-UHFFFAOYSA-N	238.027	-0.029	50	10	BBGE	
C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2248573508	FUWZPGREGOCMPV-FWWHASMVSA-N	241.052	-0.828	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)O1	2248586479	BJBQCZUSEBONAN-LURJTMIESA-N	243.024	-0.999	50	10	BBGE	
C[C@@]12CC[C@@H]1CCN2C(=O)c1coc(B(O)O)c1	2255456558	PWGIOISTQBJIOI-BXKDBHETSA-N	249.075	-0.026	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	2255465158	GOLNEIAXPZAQRD-OBBGECFZSA-N	247.103	-0.105	50	10	BBGE	
CC1(C)CCN(C(=O)c2ncc(B(O)O)cn2)C1	2255471627	VWVIGBJOIMSLKJ-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)cn1C)C(C)C	2255509510	RGYIXYBJRWMKTD-SNVBAGLBSA-N	248.091	-0.908	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)Nc2ncc[nH]2)c1	2255513123	LSFSNRGUQWPLJL-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(N[C@@]12CCCC[C@H]1C2)c1cc(B(O)O)n[nH]1	2255553507	ZQHJFVRPCCXEMM-WRWORJQWSA-N	249.079	-0.848	50	10	BBGE	
Cc1ccnc(C(=O)N[C@H](C)CC#N)c1B(O)O	2255580611	FTFFIXYFGSODOC-MRVPVSSYSA-N	247.063	-0.898	50	10	BBGE	
CN(Cc1ccco1)C(=O)c1cc(B(O)O)c[nH]1	2255671474	RLEGOOMRCHEXOA-UHFFFAOYSA-N	248.047	-0.440	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCCC[C@@H]21	2255676743	WESUISDHOGKCBT-BDAKNGLRSA-N	249.075	-0.026	50	10	BBGE	
CCC=CCNC(=O)c1nccc(C)c1B(O)O	2255683192	SHKKDDPPFVYSEL-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@H]1C	2255691579	OHMYQNLZHBIZIV-XCBNKYQSSA-N	249.075	-0.487	50	10	BBGE	
Cn1cc(B(O)O)c(C(=O)Nc2ccccc2)n1	2255733894	RXCAOCVRVONRLI-UHFFFAOYSA-N	245.047	-0.648	50	10	BBGE	
CN(Cc1ncccn1)C(=O)C1(B(O)O)CCC1	2255744478	SSWSYHNKVZGYEA-UHFFFAOYSA-N	249.079	-0.168	50	10	BBGE	
C#CCCCNC(=O)c1ncc(C)cc1B(O)O	2255789615	JWAHYSDYLWWFRG-UHFFFAOYSA-N	246.075	-0.787	50	10	BBGE	
CC#CCC(=O)Nc1ccc(OC)cc1B(O)O	2256672324	FXTONLCUWXQGJT-UHFFFAOYSA-N	247.059	-0.273	50	10	BBGE	
O=C(NCC[C@@H]1CC12CC2)c1cc(B(O)O)co1	2258137726	AEWYCNLTNQUBLN-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H]2CC[C@H](C2)C1	2258150352	AFQUKTVYJXBIKA-DTORHVGOSA-N	249.075	-0.169	50	10	BBGE	
CO[C@@H]1CN(C[C@H]2CC[C@@H]2C(=O)NN)C[C@H]1F	2298166553	UAMZIQFTAMQKEF-UTINFBMNSA-N	245.298	-0.329	50	10	BBGE	
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)N(C)C	2298374858	QGLFSQKJAHJTSV-KXUCPTDWSA-N	242.128	-0.448	50	10	BBGE	
C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298376938	YNLLJQDKLAPWMP-YIZRAAEISA-N	237.068	-0.749	50	10	BBGE	
C[C@@H](C(=O)O)C1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298463632	PSUOLJOLSOUEFC-NJUXHZRNSA-N	241.052	-0.972	50	10	BBGE	
COCC1CN(CCC[C@H]2C[C@@H]2C(=O)NN)C1	2300369939	IZUCXKYXIZXNDV-QWRGUYRKSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1[C@H]2COC[C@H]1C2	2300376465	YNOVLERNJZWYGS-GWOFURMSSA-N	239.319	-0.134	50	10	BBGE	
C=C(COC[C@@H]1COC2(CCC2)CO1)B(O)O	2301364033	CGWSGYRHFPTJDJ-SNVBAGLBSA-N	242.080	-0.091	50	10	BBGE	
C#CC[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301452934	OHCHHRYLMZRJOA-VIFPVBQESA-N	232.044	-0.031	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C[C@@H]1O	2302568439	LROGIXGLGNXNHR-YTWAJWBKSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@H](C1)[C@H]2O)C(=O)NN	2303425440	CIFDTBBEORVAIK-WYFGTUCQSA-N	241.335	-0.295	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@@H]2NCC[C@H]12	2312612334	QZZGMBVRSSLIIH-KKZNHRDASA-N	247.107	-0.829	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1C[C@H]2CC[C@@H]1N2	2312614950	RIXLFTPYWFXPNE-NGZCFLSTSA-N	247.107	-0.686	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1CC[C@@H]2CC[C@H]1C2	2312849812	VSJDLYBXUIVHNK-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
CN(C)NC(=O)CN1CCSC1=O	7965646	UYVWTXOOQYFGBC-UHFFFAOYSA-N	203.267	-0.252	50	10	BBGE	
O=C(CCCl)NC(=O)NCC(=O)NC1CC1	36782748	AGJNFQMZKJLBBZ-UHFFFAOYSA-N	247.682	-0.280	50	10	BBGE	
NNC(=O)CCC(=O)NCCCCCO	58863017	ZKDGOXXQKKSSOU-UHFFFAOYSA-N	217.269	-0.965	50	10	BBGE	
C[C@H](Sc1nncn1C)C(=O)NN	70154949	MTTMZBLFGDLCNC-BYPYZUCNSA-N	201.255	-0.714	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCSCC1	82470758	QXDNPJICWGXAMX-ZETCQYMHSA-N	203.311	-0.196	50	10	BBGE	
C[C@H]1CC(NC(=O)C(=O)NN)C[C@H](C)C1	82835558	YBZJHNUYVXRNTJ-RNFRBKRXSA-N	213.281	-0.083	50	10	BBGE	
NNC(=O)CCn1c(=O)oc2cccnc21	83878390	GOWAFTLJVFINTF-UHFFFAOYSA-N	222.204	-0.631	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN(C2CC2)CC1	93072231	BXKJWEWVPPNOOR-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CCCN1CCN(CC2CC2)CC1	110597984	ZUORQFGJJJQMDY-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
CN(C)P(=O)(N/C(N)=N\C#N)N(C)C	142358879	FUKXSRCCSHCTNO-UHFFFAOYSA-N	218.201	-0.397	50	10	BBGE	
C[C@@H]([C@H]1CCOC1)N1CC(=O)OC(=O)C1	158754633	TYKHCRDBEOYHGH-YUMQZZPRSA-N	213.233	-0.203	50	10	BBGE	
N[C@H]1[C@@H](O)[C@H](C(=O)O)C[C@H]1Br	199715995	IWDOFPCKEVVRHC-AIHAYLRMSA-N	224.054	-0.457	50	10	BBGE	
Cn1cnn(Cc2ccccc2C(=O)NN)c1=O	211741081	UHVSUOQPKUGAKD-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CC[S@@](=O)CCN1CC(=O)OC(=O)C1	217488268	OUWYSIJEFIQJCX-CQSZACIVSA-N	219.262	-0.860	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)CC[C@@H](C)O	220009428	SEBLMQFJKGBYFM-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CC1(C)NC(=O)Oc2ccc(B(O)O)cc21	223483436	OUVCDMHTRNZZLP-UHFFFAOYSA-N	221.021	-0.297	50	10	BBGE	
CCc1cc(OC)c(OC)cc1B(O)O	223518801	IENFIVMXVHSHNR-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)Cc1cccc(B(O)O)c1	226586856	IVQPTXHCKMVVGK-GXFFZTMASA-N	249.119	-0.024	50	10	BBGE	
Cc1cnc([C@@H](C)NC(=O)C(=O)NN)o1	231755563	KGAAFBVWLWGKLU-RXMQYKEDSA-N	212.209	-0.850	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCNC(=O)[C@H]1CC	251267636	DPNQNMBPOLBEOR-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CC[C@@H]1C(=O)NCCN1[C@@H](C)[C@H](C)C(=O)NN	252608969	SRPRGPSUFQASSP-XHNCKOQMSA-N	242.323	-0.789	50	10	BBGE	
O=C(O)[C@H]1[C@@H]2C(=O)O[C@@H]3[C@@H](Cl)[C@@H]1O[C@@H]32	256600529	SIIMPOCAYCQRBK-ADOSBGCESA-N	218.592	-0.383	50	10	BBGE	
CC[C@H]1CN(CCC(=O)NN)CCCO1	300851129	HVTXITKNJIIDRM-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
Cn1ccc(=O)n(C[C@@H](O)CCl)c1=O	306209518	SVSHPQPESFPQJT-LURJTMIESA-N	218.640	-0.853	50	10	BBGE	
OB(O)c1cc(O)c2sc(O)cc2c1	307022555	DWQDRQRWXUOZCX-UHFFFAOYSA-N	210.019	-0.008	50	10	BBGE	
C[C@H](CCl)C(=O)N(C)C(CO)CO	308130852	DSHSNIPEEQTZFR-ZCFIWIBFSA-N	209.673	-0.327	50	10	BBGE	
OB(O)c1ccc(CO[C@@H]2CCNC2)cc1	309184117	HLUUFJZOFVXFIP-LLVKDONJSA-N	221.065	-0.755	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](C)O[C@@H]1C	384683861	AYBHTYNYRGWPGE-XAVMHZPKSA-N	215.297	-0.138	50	10	BBGE	
C[C@H](CO)SCc1nc(C(=O)NN)co1	386926956	FGQOVXLCJDWENA-RXMQYKEDSA-N	231.277	-0.108	50	10	BBGE	
CCCN(CC(N)=O)S(=O)(=O)CCl	388841544	YKSUYYCDBQKSJA-UHFFFAOYSA-N	228.701	-0.290	50	10	BBGE	
O=CCCc1ccc(B(O)O)cc1/C=C\C(=O)O	396129066	BTFPHOBDKWGZFQ-XQRVVYSFSA-N	248.043	-0.404	50	10	BBGE	
Nc1cc2c(C(=O)O)c(B(O)O)ccc2s1	396238383	HQRUZPGXFKBEOS-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1csc2c(B(O)O)ccc(CO)c12	396243101	KXOJOIZRJALKAA-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)SCCC(N)=O	399165601	MCSLCLYSRHBMEN-PHDIDXHHSA-N	219.310	-0.391	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC[S@@](C)=O	399928148	RIGFVEZUYHCARC-HQMDJKHHSA-N	235.353	-0.689	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCCOC1)C(=O)NN	401601642	DZFIHUYRQFMPEU-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CO[C@H]1NC[C@H](Br)N=C1NN	605704148	JIONHRRPTIBURW-NQXXGFSBSA-N	223.074	-0.855	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(CCC(=O)NN)C1	688959070	LPIKXSDNZXDLMI-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CNC(=O)C(=O)NN)[C@@H]1C	701209409	WRJPQLXMBSQHQG-ULAWRXDQSA-N	229.280	-0.848	50	10	BBGE	
Cc1nn(C)c(C)c1CCC(=O)NCB(O)O	701956363	RUZGQWNZZUUOMK-UHFFFAOYSA-N	239.084	-0.902	50	10	BBGE	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC	704666959	DSHOULATAOOLGZ-RITPCOANSA-N	202.258	-0.680	50	10	BBGE	
CC(C)N1C[C@@H](C(=O)NNC(N)=S)CC1=O	706007404	QXYNUIHTWMOBAJ-LURJTMIESA-N	244.320	-0.892	50	10	BBGE	
C[C@@H](C(N)=O)N(C)[C@@H](C(=O)NN)C(C)(C)C	711161217	REZMJGYWSWZZPH-BQBZGAKWSA-N	230.312	-0.803	50	10	BBGE	
CC(C)(O)C1CCN(CC(=O)NN)CC1	716496690	PGYDCYXMLBDXEC-UHFFFAOYSA-N	215.297	-0.541	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21)NC1CC1	780907121	GFUPKUDXUZPZEM-YIZRAAEISA-N	239.275	-0.096	50	10	BBGE	
COCC(C)(C)CC(=O)NNC(=O)C(C)(C)O	840434493	QBTBAIKPGGCQHN-UHFFFAOYSA-N	246.307	-0.033	50	10	BBGE	
COC1(C(=O)NNC(=O)Cc2cccnc2)CC1	843543977	CNQTVXJXWQRLAN-UHFFFAOYSA-N	249.270	-0.050	50	10	BBGE	
CCO[C@@H](C(=O)NNC(=O)C(C)(C)O)C(C)C	861205603	GZQCPZXEITWVOL-MRVPVSSYSA-N	246.307	-0.034	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)c2cn[nH]c2)CCCO1	862472810	SYRUSYYNGICLKL-JTQLQIEISA-N	238.247	-0.260	50	10	BBGE	
COCC(=O)NN=C1CN2CCC[C@H]1C2	863098449	JKKLGDZVKQITJX-QMMMGPOBSA-N	211.265	-0.169	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1	1141855076	CLPSGYHLAMIETB-LURJTMIESA-N	242.235	-0.120	50	10	BBGE	
CCN(Cc1cscc1B(O)O)C1COC1	1231951065	PNRXTPMEGWGUBG-UHFFFAOYSA-N	241.121	-0.351	50	10	BBGE	
CC(=O)NNC(=O)c1c(C)c[nH]c1CC(N)=O	1290391255	ALHFETDXIMZJAS-UHFFFAOYSA-N	238.247	-0.868	50	10	BBGE	
C=CCNC(=S)NNC(=O)C=NOC	1540371361	BJJWNJFQTBWWBU-UHFFFAOYSA-N	216.266	-0.700	50	10	BBGE	
N#Cc1ccc(NNC(=O)CCNC(N)=O)nc1	1558273339	IVYZCGSKZFGOAU-UHFFFAOYSA-N	248.246	-0.545	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N1C[C@@H](O)C[C@@H](O)C1	1566238346	FEUKIUFELJUXGE-UVDDSTKKSA-N	240.259	-0.616	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NNC(=O)c1ccc[nH]1	1587351308	CRJGOIARZGNUKG-UHFFFAOYSA-N	249.230	-0.173	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)C1=COCCC1	1630234355	RUXUWNHNJGKPRG-UHFFFAOYSA-N	248.242	-0.068	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1cnc2c[nH]nc2c1	1643696241	DBWWBTWCNDSVDU-ZETCQYMHSA-N	249.274	-0.085	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@@H]1Br	1880434589	RXYHWDFMYCMIAE-HRFVKAFMSA-N	238.110	-0.366	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H](F)[C@@H](CO)C1	1884618188	HENDVILVRJOAOM-RQJHMYQMSA-N	245.703	-0.183	50	10	BBGE	
OB(O)c1cncnc1SC1CCC1	1885054296	NIHPNYDQGDBTHI-UHFFFAOYSA-N	210.067	-0.199	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@@H](O)CC12CNC2	1886857607	UHRAGGQFTNKHLU-SFYZADRCSA-N	215.684	-0.474	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC([C@H](O)CO)C1	1887182599	UPGXFWZYNUCGGB-BWZBUEFSSA-N	219.668	-0.575	50	10	BBGE	
CN(NC(=O)c1ccoc1)S(C)(=O)=O	1888598356	GDIJDLKGCWQNOE-UHFFFAOYSA-N	218.234	-0.184	50	10	BBGE	
OCC(CO)(CO)CNC[C@@H]1C[C@@H]1Cl	1893118094	FKWUMYFFBNXIJB-YUMQZZPRSA-N	223.700	-0.833	50	10	BBGE	
NC(=O)[C@@H]1COCCN1C[C@@H]1C[C@@H]1Cl	1893136293	GHKPQBPVRIHTIB-FXQIFTODSA-N	218.684	-0.200	50	10	BBGE	
O=C(O)C[C@H](O)CNC(=O)[C@H]1C[C@@H]1Cl	1893454371	WIEACHMBIILKGV-ZLUOBGJFSA-N	221.640	-0.435	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@H]2O	1900377744	ZXVSNEJFSZISAC-UTINFBMNSA-N	227.308	-0.400	50	10	BBGE	
C[C@H]1CN(C(=O)c2cnsc2B(O)O)[C@H]1C	1900466505	HDNJQBANIZRVPA-WDSKDSINSA-N	240.093	-0.697	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1CC[C@@H]1N	1901375368	KTYGDVJZYQFUME-YUMQZZPRSA-N	249.336	-0.574	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc(CO)o1	1901582549	QDIQOIROUKFTDU-UHFFFAOYSA-N	225.009	-0.930	50	10	BBGE	
OB(O)[C@@H]1CCN(CC[C@H]2COCCO2)C1	1902516521	CHAWYBPFJBOSBS-ZJUUUORDSA-N	229.085	-0.659	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2cnccn2)C1	1902550091	HHJYMSRZCLNPSF-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
Cc1scc(C(=O)N[C@H]2C[C@@H]2C)c1B(O)O	1902869112	VOMGNGNMFLHMEX-XNCJUZBTSA-N	239.105	-0.125	50	10	BBGE	
CP(C)(=O)COc1cc(B(O)O)c(F)cn1	1903021171	QRJXATJLEMZLJC-UHFFFAOYSA-N	246.971	-0.141	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1COC	1909181316	LNWHMQFRCQHCMQ-GUBZILKMSA-N	245.323	-0.794	50	10	BBGE	
C[C@H](O)CN(C)C[C@@H]1CCC[C@H](C(=O)NN)O1	1909806339	VYMDEQJREPZLCS-LPEHRKFASA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COC1CCOCC1	1927916481	DYEJWQQXXDQVOE-APPZFPTMSA-N	214.265	-0.192	50	10	BBGE	
CN(CC(CO)CO)C(=O)OCCl	1930664832	FAPZNDDZYVCXSM-UHFFFAOYSA-N	211.645	-0.148	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](F)[C@H](F)C2)CC1	1931265284	MVQUJHXEBQERIF-RNFRBKRXSA-N	219.235	-0.252	50	10	BBGE	
C[C@]1(CO)CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1936082179	CWALGVWOSNIOOC-YWVKMMECSA-N	227.308	-0.683	50	10	BBGE	
Cc1cc(=O)n(C[C@H]2C[C@H]2C(=O)NN)cn1	1936084899	UVWITMWBRUPABS-HTQZYQBOSA-N	222.248	-0.822	50	10	BBGE	
NNC(=O)CCN1C[C@@]23CC[C@]2(COC3)C1	1937254904	RIEUTMFNCJBAGT-GHMZBOCLSA-N	225.292	-0.521	50	10	BBGE	
O=C(NC[C@@H]1COC[C@H]1Cl)[C@H]1COCCO1	1939170756	HALMCTHDZPNKLK-IWSPIJDZSA-N	249.694	-0.228	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2COCC[C@H]21	1941371563	CBCQPZXCTGNQQF-HTQZYQBOSA-N	249.261	-0.278	50	10	BBGE	
CCON(CC)CCn1cc(C(=O)NN)nn1	1942605630	BJDIZWJGDKNXHM-UHFFFAOYSA-N	242.283	-0.845	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](CO)C1(C)C	1946257113	NJQURMGXQICPEZ-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
N#C[C@H](O)[C@H](N)c1cc2ncccn2n1	1953040248	IKWGKAKJBOTJLH-IONNQARKSA-N	203.205	-0.386	50	10	BBGE	
O=S(=O)(CCCl)N[C@H]1C[C@@H]1CO	1953433787	GKFPSFOVOAEXIM-RITPCOANSA-N	213.686	-0.475	50	10	BBGE	
COC(=O)[C@@H](Br)CN1CC(N)C1	1953567494	DJZPGRUKVDTDIF-LURJTMIESA-N	237.097	-0.434	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550531	XCWDVOHOUIVHMQ-HNEXDWKRSA-N	219.668	-0.434	50	10	BBGE	
O=C(c1c[nH]c(=O)cn1)N1CC(Cl)C1	1956901150	SYJDGKCHARQAPU-UHFFFAOYSA-N	213.624	-0.167	50	10	BBGE	
CC(C)OC[C@@H]1CCN(CC(=O)NN)C1	1958317627	HSSMVYGKGWMWQY-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
C[C@@H]1CC(=O)N1C[C@H]1CC[C@@H](C(=O)NN)O1	1975983905	YWJLBPIYIVCCCN-PRJMDXOYSA-N	227.264	-0.855	50	10	BBGE	
NNC(=O)N1CCC(N2CCCC2=O)CC1	1981091277	MRDZPATZGTWFLT-UHFFFAOYSA-N	226.280	-0.344	50	10	BBGE	
OB(O)c1cccnc1OC1CC(F)(F)C1	1981430120	LNLVMLOFHOKXNO-UHFFFAOYSA-N	228.991	-0.062	50	10	BBGE	
CC1(C)CC12CC(CNC(=O)C(=O)NN)C2	1986288504	FSEFJGPFNGBGOF-UHFFFAOYSA-N	225.292	-0.081	50	10	BBGE	
CN(CCCF)c1ncc(F)cc1B(O)O	1988001829	OEUDUWSSQWNREO-UHFFFAOYSA-N	230.023	-0.304	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@]12C[C@](C)(CO1)C2	1990325643	UWTDKYGPNJRVIV-INTQDDNPSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1cocn1	1990773591	XTCGTGWRLPNPDK-UHFFFAOYSA-N	226.236	-0.726	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@]12CCOC2	1991339010	UIUCYHMWAOFVSA-SCZZXKLOSA-N	225.053	-0.903	50	10	BBGE	
C[C@]1(CNC(=O)C=CC(=O)Cl)CNCCO1	1991653437	ZZVSLFZEJRLJOE-SNVBAGLBSA-N	246.694	-0.197	50	10	BBGE	
CC[C@@](C)(COc1ncc(B(O)O)cn1)OC	2004924504	CSMWRYQFLMZAHW-JTQLQIEISA-N	240.068	-0.650	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H]3C[C@]3(C)C2)n1	2004974570	MDFJEGCHTHOOGR-BXKDBHETSA-N	232.092	-0.084	50	10	BBGE	
CCC1(C)CN(c2nc(C)ncc2B(O)O)C1	2005013819	BEENDUYZDUVFDL-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
C[C@@H](COc1ccc(F)c(B(O)O)c1)N(C)C	2008381547	BNGCHXAMVNSEMY-QMMMGPOBSA-N	241.071	-0.166	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@H]1CF	2016766240	PKLSVFVAJSLXDU-XCBNKYQSSA-N	237.039	-0.090	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@H]2C(=O)NN)C(=O)CO1	2018697989	LZNNAYDXUMXNEJ-HTQZYQBOSA-N	241.291	-0.750	50	10	BBGE	
CC(=O)NNC(=O)CN1CCOC2(CCC2)C1	2019209733	LNFRHBNVRICSOQ-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
Cc1cc(C)n(CC(=O)NCC=CB(O)O)n1	2020067669	JYNTZDOOZKHTDU-UHFFFAOYSA-N	237.068	-0.816	50	10	BBGE	
CN(CCc1ncccn1)C[C@H]1C[C@@H]1C(=O)NN	2030284169	CQQJEIZQMVXPEA-ZJUUUORDSA-N	249.318	-0.423	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C)c1ncnc(C)c1B(O)O	2052556284	LPALGOFWYKZHJD-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
CCOc1ccc(B(O)O)c(OC)c1OC	2060047297	FQUKKDZYTFMALG-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
O=Cc1c([N+](=O)[O-])ccc(F)c1B(O)O	2060053804	IPJVXODLJMTSJO-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCc1cc(C=O)cc(C#N)c1B(O)O	2060240199	JPEWQGMCRBBGKB-UHFFFAOYSA-N	203.006	-0.387	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(C=O)c1B(O)O	2060270490	DQTGIQHFSPVYHL-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
CCN(C(=O)c1ccccc1B(O)O)C1COC1	2079009745	TYBVEBLZZVRSNV-UHFFFAOYSA-N	249.075	-0.773	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN(C)C1(C)COC1	2086875638	DHFQAYKERUARDX-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
CN(C)c1ncc(Br)cc1B(O)O	2209388607	YAKWPKQINPSXLA-UHFFFAOYSA-N	244.885	-0.410	50	10	BBGE	
COC[C@@H](S[C@@H]1CCNC1)C(=O)NN	2210076559	DCDSIUVCIJGUFF-RNFRBKRXSA-N	219.310	-0.914	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OC(F)(F)F)C1	2211915151	LDSCQINUPICXHH-LURJTMIESA-N	241.213	-0.025	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCC[C@H]2O)nc1	2212610447	IWRFEZNCECDNTD-DTWKUNHWSA-N	222.053	-0.913	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C(C)(C)CO	2217172317	JEMMINUVDDJYOV-MRVPVSSYSA-N	238.096	-0.420	50	10	BBGE	
COC[C@H](Nc1ncccc1B(O)O)C(C)C	2217175098	DFTVVLYXCZXQAJ-JTQLQIEISA-N	238.096	-0.156	50	10	BBGE	
CC[C@H](Nc1ncccc1B(O)O)C(C)(C)O	2217183370	IFPMMUOBXPBHSA-VIFPVBQESA-N	238.096	-0.277	50	10	BBGE	
CCOCCN(C)c1nccc(B(O)O)c1F	2217183687	KFKRHJDFUPQSBR-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
NC[C@H]1C[C@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2223634062	FLUSRDIQBNVSRV-FBIMIBRVSA-N	247.107	-0.923	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](O)C12CCC2	2223643116	RTZPHWUMUUYARA-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
C#CC1(Oc2ncc(B(O)O)cn2)CCCCC1	2223659804	CBUINRIUQGBYQU-UHFFFAOYSA-N	246.075	-0.129	50	10	BBGE	
CN(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)S1	2241804262	DISAPLHVOCOXSK-RITPCOANSA-N	218.278	-0.072	50	10	BBGE	
O=C(CBr)N1CC(O)(CCO)C1	2241807307	DOFFRQVCHZLLBF-UHFFFAOYSA-N	238.081	-0.663	50	10	BBGE	
NC[C@@H](N[C@H]1C[C@H](Br)C1)C(=O)O	2242408711	WWWODHRREOEDKA-HSUXUTPPSA-N	237.097	-0.086	50	10	BBGE	
O=C(c1ccc(B(O)O)s1)N1CC2CC1C2	2243349810	QVJCZOJTAZOCKA-UHFFFAOYSA-N	237.089	-0.338	50	10	BBGE	
C=C(Cl)CNC(=O)c1cc(C)c(B(O)O)o1	2243377965	KHKBPAANJDXCLE-UHFFFAOYSA-N	243.455	-0.250	50	10	BBGE	
CCC(CC)NC(=O)c1cc(B(O)O)sn1	2243378078	MCZWBCPZLHWGGY-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
O=C(Nn1cccc1)c1sncc1B(O)O	2243378088	MJDMQVHHBISTDC-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
C[C@@H](C[C@@H](C)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381707	ISUKHMAJCVBWJC-UYXSQOIJSA-N	229.085	-0.485	50	10	BBGE	
CN(CC(F)F)C(=O)c1cc(B(O)O)cs1	2243385196	DWURHMGNTUAUCW-UHFFFAOYSA-N	249.047	-0.235	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)C1CC(C)(C)C1	2243403899	FRHCGRGIYQPHQE-QMMMGPOBSA-N	223.081	-0.057	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N(C)C1CC1	2243413448	GMGPPIRWCDNZTI-UHFFFAOYSA-N	239.105	-0.029	50	10	BBGE	
O=C(NCc1cocn1)[C@H]1C[C@H](B(O)O)C1	2243420563	VMMXHENUCGVZCD-LJGSYFOKSA-N	224.025	-0.456	50	10	BBGE	
Cc1nsc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2243427354	UGJOGDFOIDXIIK-NTSWFWBYSA-N	241.081	-0.674	50	10	BBGE	
Cc1n[nH]c(C)c1C(=O)NCC=CB(O)O	2243670037	YRDSVYZGUNOENS-UHFFFAOYSA-N	223.041	-0.675	50	10	BBGE	
C=CC[C@]1(CO)CCCN(CC(=O)NN)C1	2244830186	UCXSZHLDHLNDQA-NSHDSACASA-N	227.308	-0.373	50	10	BBGE	
O=C(O)c1ccccc1C(=O)NCB(O)O	2245266243	JBLICMZIZWJLNO-UHFFFAOYSA-N	222.993	-0.873	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@H](F)C1	2247732775	JDSOPPJFVJQIDV-ZETCQYMHSA-N	241.027	-0.548	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)C(=O)c1occc1B(O)O	2247754025	CWOHBHKLBQUIII-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
CCC(C)(CC)NC(=O)c1n[nH]cc1B(O)O	2247784809	AVLSPVYYBOZGPW-UHFFFAOYSA-N	239.084	-0.602	50	10	BBGE	
O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1C[C@@H]1B(O)O	2247796713	CARWGDFBGHYLKT-JXUBOQSCSA-N	239.080	-0.467	50	10	BBGE	
CC1(C)[C@@H](N)C[C@H]1NC(=O)C1CC(B(O)O)C1	2247805150	JRQOVVVOIZOKDF-ABIFROTESA-N	240.112	-0.519	50	10	BBGE	
CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247809243	YMUPYEICXSYZQE-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1CN(C(=O)c2occc2B(O)O)C[C@H]1C	2247853838	SIBQGHGOFQJMEK-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)cn1C1CC1	2247854251	ZNCNVPWICJEDDC-UHFFFAOYSA-N	238.052	-0.816	50	10	BBGE	
C=C(C)CNC(=O)c1cccc(F)c1B(O)O	2247855689	WSFWQYYQAJMLSO-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CCCC[C@H]1O	2247879770	VRKLGRRSXUIDQS-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@@H]1CCOC1	2247899366	MWTKXECAIYLQIT-ZYUZMQFOSA-N	241.096	-0.219	50	10	BBGE	
O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2248576890	JKDSXJSUDDHAJL-PRJMDXOYSA-N	241.052	-0.828	50	10	BBGE	
COC[C@@H](C)N(C)C(=O)c1cc(B(O)O)co1	2249430705	PACNDYFTQIFDFT-SSDOTTSWSA-N	241.052	-0.934	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ccncn1	2254032516	BNSPKIFFPVMLJS-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
COc1ccc(B(O)O)c(O[C@@H]2CC[C@H]3C[C@H]32)n1	2254704943	FLEATIZEGULDIP-QXFUBDJGSA-N	249.075	-0.053	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1coc(B(O)O)c1	2255443456	ARWKULDQZRFIIC-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1ccncc1B(O)O	2255449698	PHGPSOIQTXXANA-MBTKJCJQSA-N	246.075	-0.853	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@@H]2C[C@H]21	2255453489	QMDHRBMHESNTPG-PSASIEDQSA-N	249.075	-0.108	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)o1	2255466905	GEZNUCQOHGDHPQ-HTQZYQBOSA-N	248.047	-0.619	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N(C)C2(C)CC2)n1	2255488381	CKLYURGJLICMMY-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
C#CCN(C)C(=O)c1cc(B(O)O)cn1C(C)C	2255500427	JBPGHZYEYRAEHI-UHFFFAOYSA-N	248.091	-0.546	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1C	2255500923	OHMYQNLZHBIZIV-XVKPBYJWSA-N	249.075	-0.487	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1nccc(C)c1B(O)O	2255582281	UTRMVWJGKIMPPX-VIFPVBQESA-N	246.075	-0.789	50	10	BBGE	
Cc1nccnc1NC(=O)c1coc(B(O)O)c1	2255693480	QVKLLSPHPUCQKD-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3coc(B(O)O)c3)[C@@H]1C2	2255729740	ZZLQHMUQARWTEW-YGOYTEALSA-N	249.075	-0.122	50	10	BBGE	
COC1CN(C(=O)c2ccc(C)c(B(O)O)c2)C1	2255730325	KNMHQPLOKBNRJU-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC=C(F)C2)c1	2255732805	BAFBPGJIYHROKX-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
C[C@H](O)C(=O)N1CCCc2ccc(B(O)O)cc21	2256595617	NYTLVIDVGLKUKG-QMMMGPOBSA-N	249.075	-0.974	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)[C@H]1C[C@H]1C	2257485281	GCDMZHFSOBXIDO-XCBNKYQSSA-N	248.091	-0.450	50	10	BBGE	
C#CCCN(C(=O)c1cocc1B(O)O)C1CC1	2258124175	YVBFNGXGZGGCLW-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Nc1cccc(NC(=O)c2cocc2B(O)O)c1	2258146827	FQSJYVAYLFABOG-UHFFFAOYSA-N	246.031	-0.206	50	10	BBGE	
C[C@H]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369082	IIUCIBXMDMLSHJ-QCBRBAQYSA-N	241.096	-0.483	50	10	BBGE	
CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C(C)(C)C1	2298376902	VYEXXKGYOCKCDZ-HRDYMLBCSA-N	240.112	-0.694	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@H]2CO1)[C@@H]1C[C@H]1B(O)O	2298377335	NLTYMXWYXJUOFE-SOYHJAILSA-N	239.080	-0.610	50	10	BBGE	
CC[C@H](N)CNc1ccc(B(O)O)cc1C#N	2301345792	JPLYFYYETZOHCM-JTQLQIEISA-N	233.080	-0.613	50	10	BBGE	
O=C([C@H]1[C@H]2COCC[C@H]21)N1CC[C@H](B(O)O)C1	2303111200	HBQADSLYOUTIAJ-QCLAVDOMSA-N	239.080	-0.656	50	10	BBGE	
C[C@@H]1NCC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303835138	RJPONKYLTHVBCE-RCOVLWMOSA-N	239.059	-0.937	50	10	BBGE	
C[C@@H](C[C@@H](C)N)Oc1cc(B(O)O)c(F)cn1	2303860249	DNRHZCLDRXGUAM-RQJHMYQMSA-N	242.059	-0.595	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1C[C@H]2CC[C@H]1CN2	2315633415	MGSLBLDHQGXSHD-NGZCFLSTSA-N	248.091	-0.719	50	10	BBGE	
CC[C@@H](N)[C@H](C)Oc1ccc(B(O)O)cc1C#N	2317152661	DTJZLMUHTOEZDM-GZMMTYOYSA-N	248.091	-0.257	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ccc(B(O)O)cc1C#N	2317210759	FMRLTCSUNCWUGO-PELKAZGASA-N	247.059	-0.348	50	10	BBGE	
N[C@@H](CNc1ccc(C=O)c(B(O)O)c1)C1CC1	2317307738	DDBXPJVJAJJARK-LBPRGKRZSA-N	248.091	-0.672	50	10	BBGE	
CC1(C)NC[C@H]1Oc1ccc(C=O)c(B(O)O)c1	2317308901	NTWFNRIJUWHQPY-LLVKDONJSA-N	249.075	-0.692	50	10	BBGE	
Cc1nnc(NNC(=O)c2ccnn2C)nc1O	28561499	VYAACEGHDVMKMY-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](N(C)C)C1	82469339	RRZRWGBOHPELEF-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
CCCNC(=O)CN(C)C[C@H](C)C(=O)NN	82469965	LIMVHAUSOUXQFW-QMMMGPOBSA-N	230.312	-0.930	50	10	BBGE	
NNC(=O)c1occc1Cn1ccc(C(N)=O)n1	85196238	GNGXYUBLPDGCDU-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
O=C(O)Cn1ncc(NC(=O)CCCl)n1	170310644	SGPPUPDAVOHCBC-UHFFFAOYSA-N	232.627	-0.070	50	10	BBGE	
CC[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O	195239836	GCAUCSIDAMISFT-YUMQZZPRSA-N	216.090	-0.733	50	10	BBGE	
CC[C@H](N)C(=O)N[C@H](CCl)C(=O)O	196543415	HXERLZWXXHEQTL-CRCLSJGQSA-N	208.645	-0.468	50	10	BBGE	
COCCOc1ccc(OC)c(B(O)O)c1	200046315	WRWJYNKCIXIYSO-UHFFFAOYSA-N	226.037	-0.600	50	10	BBGE	
O=C([C@@H]1CCCN1)[C@H]1CCC[C@@H]1B(O)O	213411251	LCVPMHZPTXHLEJ-CIUDSAMLSA-N	211.070	-0.049	50	10	BBGE	
Cn1c(B(O)O)cc2c(C#N)cccc21	231411812	FTUBFJNZQGUYQJ-UHFFFAOYSA-N	200.006	-0.270	50	10	BBGE	
CCOCCO[C@@H](COC)C(=O)NN	232417476	QSXMJBXGRLHKJF-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H]1CCCOC1	232420243	RYWKCCXRJFGJRB-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@H]1CCCCO1	251550550	MYNDSDDXLHQTMT-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
CS(=O)(=O)CC1=C(C#N)S(=O)(=O)N=C1	259999850	CQKJVGWCZGIQDR-UHFFFAOYSA-N	234.258	-0.777	50	10	BBGE	
CN/C(SC)=C(/C#N)c1nnn(C)n1	306394082	FWODRFMZPLNZSS-FNORWQNLSA-N	210.266	-0.015	50	10	BBGE	
O=C(NCC(Cl)Cl)[C@H]1C[C@@H](O)CN1	307275712	SECUJAACFOAUJU-RFZPGFLSSA-N	227.091	-0.371	50	10	BBGE	
N[C@@H]1COC[C@@H]1C(=O)NCC(Cl)Cl	307291501	BHRMRCQNJFOUSL-CRCLSJGQSA-N	227.091	-0.120	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[S@@](=O)CC1	321844232	FTSFLZYUZMTNPC-ANRSDYALSA-N	233.337	-0.791	50	10	BBGE	
CC(C)CC(=O)NNC(=O)CNC1CC1	381600307	NJKCDRSOWJTENW-UHFFFAOYSA-N	213.281	-0.068	50	10	BBGE	
C[C@@H](Cl)C(=O)NCC(C)(CO)CO	393896237	MTZMUXHWMGXQIM-ZCFIWIBFSA-N	209.673	-0.279	50	10	BBGE	
COC(=O)Cc1ccc(CCC#N)cc1B(O)O	396044398	XZYGXKGBYBEGML-UHFFFAOYSA-N	247.059	-0.462	50	10	BBGE	
N#Cc1cc2sc(B(O)O)cc2cc1CO	396220147	LJNLXIIBAQEPPU-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
CC(C)C(=O)Nc1ncc(B(O)O)s1	404929148	BQPWWDDLEFDBFC-UHFFFAOYSA-N	214.055	-0.583	50	10	BBGE	
Cc1cc(NC(=O)c2ccon2)cc(B(O)O)c1	404996108	HNPOORIZEUTUDI-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CCOC(=O)NCc1ccc(B(O)O)s1	405136640	KAOOFXCFBCJLJX-UHFFFAOYSA-N	239.061	-0.713	50	10	BBGE	
CS(=O)(=O)N1CCN2C[C@@H](Cl)C[C@H]2C1	405262205	JRVFZZIULWUILP-YUMQZZPRSA-N	238.740	-0.057	50	10	BBGE	
COc1c(F)cc([N+](=O)[O-])cc1B(O)O	575707596	CGCLIWIWWSQFTN-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](CC(N)=O)C1	690736847	KLGGCRKCBVSRGC-RKDXNWHRSA-N	242.323	-0.658	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CO[C@@H](C2CC2)C1	691781585	WDOWTLXSBXIBQI-VHSXEESVSA-N	227.308	-0.134	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@H](N)C1	695072466	YPBQMDPNSZEZOX-RKDXNWHRSA-N	214.313	-0.576	50	10	BBGE	
OB(O)c1cnn(CC2C[C@H]3C[C@@H]3C2)c1	698020089	YYPCXIMYBGTJRQ-IUCAKERBSA-N	206.054	-0.391	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCN(C)C[C@@H]1CO	699492077	VSALTHWBPBOORV-RKDXNWHRSA-N	234.727	-0.004	50	10	BBGE	
C[S@@](=O)CCCN1[C@H]2CC[C@H]1C(=O)OC2=O	703423674	BIXVENQPZNILGO-DBQHQPDYSA-N	245.300	-0.329	50	10	BBGE	
CO[C@](C)(CO)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703424852	JOBHGKUIZYRWNN-LAEOZQHASA-N	243.259	-0.700	50	10	BBGE	
CCCN(CC(C)(C)O)[C@@H](COC)C(=O)NN	708530252	DFBBIRXBYAASHM-VIFPVBQESA-N	247.339	-0.526	50	10	BBGE	
COC[C@H](CCN1CC(=O)OC(=O)C1)OC	709913691	PZWZGGRHMAFENG-QMMMGPOBSA-N	231.248	-0.577	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H](O)C[C@H]1C2)C(=O)NN	710476030	JOVPENCQTPNQGL-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
COC(=O)N1CCc2ccc(B(O)O)cc21	712954248	CWQYVBYNQIKLNM-UHFFFAOYSA-N	221.021	-0.505	50	10	BBGE	
COc1ccc(-c2n[nH]cc2B(O)O)cc1	716783441	DDRPYOIOLNBWTF-UHFFFAOYSA-N	218.021	-0.235	50	10	BBGE	
OC[C@H]1CN(C[C@@H](O)CCl)CCS1	720001306	STBFPRIPOBLJMK-JGVFFNPUSA-N	225.741	-0.004	50	10	BBGE	
CC1(C(=O)Nc2ccnc(B(O)O)c2)CCC1	720686339	QBUSQDRCBRDDBS-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
NC(=O)CC(=O)NNC(=O)Cc1ccsc1	746269735	INUCQJVTAAAKBM-UHFFFAOYSA-N	241.272	-0.687	50	10	BBGE	
CC(C)[C@H](F)C(=O)NNC(=O)[C@H]1COCCO1	784125977	QGRFVCXWNOOHNZ-SFYZADRCSA-N	248.254	-0.457	50	10	BBGE	
CCNC(=O)NNC(=O)Cc1ccc(C#N)nc1	858782479	RYCZFFUKNIHUHD-UHFFFAOYSA-N	247.258	-0.154	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)CC#N)O1	862890763	MHQWTXDZMVEHAC-RNFRBKRXSA-N	211.221	-0.385	50	10	BBGE	
Cn1ccc(NNC(=O)c2coc(C(N)=O)c2)n1	1183388312	JLOAJKHMPNRNHL-UHFFFAOYSA-N	249.230	-0.131	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)NCC1CC1	1292130590	JERQQQCFWXYJGG-QMMMGPOBSA-N	239.275	-0.235	50	10	BBGE	
O=C(CO)NC[C@H]1C[C@@H]1Br	1880108071	UMOFDGMPHRCOIP-UHNVWZDZSA-N	208.055	-0.122	50	10	BBGE	
NC1(CNC(=O)[C@@H]2C[C@@H]2Cl)COC1	1883645829	SLSFHFYORQBZRA-RITPCOANSA-N	204.657	-0.542	50	10	BBGE	
NCC[C@H](O)C(=O)N1CCSSCC1	1886205448	OLMBQCYOOAADCR-ZETCQYMHSA-N	236.362	-0.080	50	10	BBGE	
CON(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1887613703	QQYVKUKRHIMKRQ-SFYZADRCSA-N	201.270	-0.114	50	10	BBGE	
CC(C)=C(CN(C)S(C)(=O)=O)B(O)O	1888936569	LQCRIYXMUQJKMN-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
CN(C)C(=O)N1CC[C@@](C)(B(O)O)C1	1891606804	JHBPUWJQIIFAGR-MRVPVSSYSA-N	200.047	-0.393	50	10	BBGE	
N[C@@H](CC(=O)NC[C@H]1C[C@@H]1Cl)C(=O)O	1893120956	ZJMNPCGZDJAFQG-SRQIZXRXSA-N	220.656	-0.468	50	10	BBGE	
NC1CN(S(=O)(=O)NC[C@H]2C[C@@H]2Cl)C1	1893127075	FRTAACPPJSQARU-VDTYLAMSSA-N	239.728	-0.909	50	10	BBGE	
C[C@H](NC(=O)C1CC(Cl)C1)[C@@H](O)CO	1893474253	GTOBZMXCYQPYQP-UMULYZNJSA-N	221.684	-0.138	50	10	BBGE	
COC1CN(C[C@@H]2CC[C@H](C(=O)NN)C2)C1	1895940887	IGOOGPXNZGQTDT-BDAKNGLRSA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CSC2CNC2)O1	1896929470	OPSGSKXBFDSAQP-APPZFPTMSA-N	245.348	-0.381	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H](N)CC1CC1	1901341078	OSJTWFPKKLDUEK-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1C[C@H](CN)C1	1901377055	JPVJWMJSGYLSBC-ZKCHVHJHSA-N	249.336	-0.716	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2N(C)C	1901997358	KIMRGLSPMZSJLN-QCLAVDOMSA-N	226.324	-0.611	50	10	BBGE	
C#CCCS(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902513967	USTBRUBRDIALRQ-VIFPVBQESA-N	245.109	-0.722	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@H]2CCCO2)C1	1902521417	GYWVKYZQMGNGQK-SCZZXKLOSA-N	227.069	-0.369	50	10	BBGE	
CN1CCC[C@@H](CN2CC[C@H](B(O)O)C2)C1	1902528152	FHLWKWLFIBBUGN-MNOVXSKESA-N	226.129	-0.123	50	10	BBGE	
CCN(C)C(=O)CCN1CC[C@H](B(O)O)C1	1902546625	PZYROCQNLLXZOW-VIFPVBQESA-N	228.101	-0.597	50	10	BBGE	
CC[C@](C)(CN1CCC[C@H](O)C1)C(=O)NN	1902716535	UBJGHNQKTSQVSH-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](F)C1	1904996049	HYOYWWQZTZKDCM-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
N#Cc1cncc(OC[C@@H]2C[C@H]2C(=O)NN)c1	1907611249	KZEYAXAUVDMODZ-WCBMZHEXSA-N	232.243	-0.042	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C[C@H]1CF	1909489139	NRCSOAPUCVTNQS-POYBYMJQSA-N	238.027	-0.695	50	10	BBGE	
C=C1CON(C[C@@H]2CCC[C@@H](C(=O)NN)O2)C1	1909809620	ZREJUINPOHTCOQ-UWVGGRQHSA-N	241.291	-0.283	50	10	BBGE	
COC(=O)C(C#N)=C(N)CC(=O)N(C)C	1911806658	MYLKMZXSGRZTJC-UHFFFAOYSA-N	211.221	-0.626	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CC2)C[C@H]1O	1931258580	CMKRMRKALVVFOD-HTQZYQBOSA-N	213.281	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)[C@@H](F)C1	1932370911	GOIIQKMWJSETEO-CSMHCCOUSA-N	219.260	-0.719	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCOC1(C)C	1933165307	CEIXDISWFNWRRW-SFYZADRCSA-N	215.297	-0.136	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](F)C1	1936025891	HIZKTMZRJSWJCA-XHNCKOQMSA-N	233.287	-0.594	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)CCOCC(=O)NN	1936527452	VFACUTIOYRSSKW-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)COCCN1C[C@H]2CCC[C@H]2C1	1936528482	GOVYEEUQVKPCJS-AOOOYVTPSA-N	227.308	-0.275	50	10	BBGE	
CN(CC(F)(F)CC1CC1)C(=O)C(=O)NN	1937732730	PBEFVFCTRMUQQH-UHFFFAOYSA-N	235.234	-0.130	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@]12CCOC2	1939729642	YNVUAIOSFZYBQP-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1(C)C	1941084244	WMGCASKWDNHKOP-VHSXEESVSA-N	240.351	-0.362	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOC[C@@H]1CN(C)C	1947728086	MWEIELYGDWBRNY-VHSXEESVSA-N	244.339	-0.983	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O	1957559026	GRPYNJUUXKSTJR-JTMCIWCCSA-N	233.695	-0.140	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12	1976757994	JTTIQFLUVSHXKC-XLPZGREQSA-N	227.264	-0.950	50	10	BBGE	
C[C@@H]1C[C@@H]1S(=O)(=O)N1CCOC[C@H]1N=C=O	1978260985	MJKQDUVPSHGUBK-VGMNWLOBSA-N	246.288	-0.281	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C)C[C@H]1C	1980816963	HRTRLFZSCAJIQB-KXUCPTDWSA-N	228.340	-0.363	50	10	BBGE	
CC(C)C[C@@H](C)Oc1ncncc1B(O)O	1981421654	CQWWBARDIVRZDV-MRVPVSSYSA-N	224.069	-0.030	50	10	BBGE	
C[C@H]1CCO[C@H]1COc1nc(B(O)O)cs1	1981426639	PHMDBAMNEVZDMS-BQBZGAKWSA-N	243.093	-0.373	50	10	BBGE	
COc1nc(=NCC#CCCl)nc(OC)[nH]1	1983001029	UYBVDADKMUFMGW-UHFFFAOYSA-N	242.666	-0.035	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1CCN1C	1987092011	JVXIEHBOXLBVTN-IVZWLZJFSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CN1CCC[C@@H]1C1(O)CC1)C(=O)NN	1987342901	ZWWPRPPXLZYGKW-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CC1(F)CN(c2ncc(F)cc2B(O)O)C1	1988001217	GBRHOBNVHYHCDR-UHFFFAOYSA-N	228.007	-0.551	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(N)c(F)c1	1989371579	UXAWJBZZYZYYNR-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
O=C(O)C1=NO[C@H](C(=O)NC[C@@H]2C[C@H]2Cl)C1	1991437812	IFHSBSVLGGRWIX-BFHQHQDPSA-N	246.650	-0.041	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1COCC1(F)F	1991600549	BJENOAXREIAZLQ-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCOC[C@@H]1CO	1991651557	IVMWQEPEIZPGPH-JGVFFNPUSA-N	247.678	-0.178	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CCC(=O)NC1	1991704291	RDIFSSLDHOBBSZ-XBBYQOBLSA-N	244.678	-0.050	50	10	BBGE	
CO[C@@H]1C[C@@H](CN)N(C(=O)/C=C/C(=O)Cl)C1	1991712845	LRYBJOOYFCOLMR-RIAPOHOLSA-N	246.694	-0.117	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@@H]2CO	1994019716	IXMQAMSATPSMMR-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	1996645355	ITUUXDPXTFZLRN-QMMMGPOBSA-N	234.064	-0.254	50	10	BBGE	
CC(C)(C)[C@]1(CO)CCN(C(=O)C(=O)NN)C1	1998029245	CWHADSJZLWVNID-LLVKDONJSA-N	243.307	-0.767	50	10	BBGE	
CC1(C)C[C@]1(N)C(=O)N1CCC(O)(C#N)CC1	2001394132	LCJUIKAGMMQTKV-LBPRGKRZSA-N	237.303	-0.009	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]1C(=O)NC1CC1	2003595636	SXVVFLMPYVBWGR-APPZFPTMSA-N	240.307	-0.892	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@H]1CCCOC1	2004915596	ANGALJUVMKVILM-JTQLQIEISA-N	236.080	-0.623	50	10	BBGE	
CC[C@@H]1CC[C@@H]1N(C)c1ncc(B(O)O)cn1	2004916083	HPUCPJVLFVPPMD-SCZZXKLOSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncnc(O[C@@]2(C)CCOC2)c1B(O)O	2004925361	POPSXVQUPRCPQB-JTQLQIEISA-N	238.052	-0.977	50	10	BBGE	
CC(C)COCCOc1ccncc1B(O)O	2004951350	MEXZWWVINOZHME-UHFFFAOYSA-N	239.080	-0.187	50	10	BBGE	
CC[C@H]1CCN1c1nc(C)nc(C)c1B(O)O	2005016059	JVFMAOVXOZOZFS-VIFPVBQESA-N	235.096	-0.238	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ncc(F)cc1B(O)O	2014929371	LDILLMZJSOMLFP-RXMQYKEDSA-N	248.013	-0.010	50	10	BBGE	
CC[C@@H](COC)Oc1ncc(F)cc1B(O)O	2014930633	XIOODNDEPLTYKJ-QMMMGPOBSA-N	243.043	-0.296	50	10	BBGE	
OB(O)c1cccc(OCC2[C@H]3COC[C@H]23)c1	2015139597	XBRPEJMZSDLKLH-QWRGUYRKSA-N	234.060	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]1(C)CCCO1	2019179444	QUMBXIHGADMIRQ-NSHDSACASA-N	243.307	-0.345	50	10	BBGE	
C[C@@H]1O[C@@]2(Cn3cc(B(O)O)cn3)CC[C@H]1C2	2021504098	HFASMLYTERYKPW-QXEWZRGKSA-N	236.080	-0.480	50	10	BBGE	
CN(Cc1ccccn1)c1ncncc1B(O)O	2052461025	LVHFJBAXZPWOHS-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
CCOc1cc(B(O)O)c(F)cc1C#N	2060168305	JYDLFTLAGSQBRT-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
N#Cc1cnn(C[C@H]2CCC[C@@H](C(=O)NN)O2)c1	2073540247	HUTBCSBIXBZHSH-ZJUUUORDSA-N	249.274	-0.318	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)C1)c1cccc(B(O)O)c1	2079010057	MHRLTHIPPHHIKZ-WDEREUQCSA-N	249.075	-0.990	50	10	BBGE	
COC(=O)CS(=O)(=O)NC[C@@H]1C[C@@H]1Cl	2208909010	JZRMUCSNNGJXBX-WDSKDSINSA-N	241.696	-0.294	50	10	BBGE	
C[C@H]1CO[C@H](C)CN1C[C@H]1C[C@@H]1C(=O)NN	2210631611	XANDFXGSQRHNSO-JLIMGVALSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC12CN(C)C2	2212305708	JSMQWQBHPCEFBN-SECBINFHSA-N	226.324	-0.465	50	10	BBGE	
C[C@H](CO)CC1CN([C@@H](C)CC(=O)NN)C1	2212360349	CLZJFYACWXRUMR-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
CN(C)[C@@H]1CCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215777508	SXPSNITVWAARIG-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](C(N)=O)N(C)CC1(C(=O)NN)CCCC1	2216870471	JMMSXTMHXIHOJU-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
C[C@@H]1CN(CC2(C(=O)NN)CCCC2)C[C@H]1O	2216883305	IZJXWSFNXCHCQD-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
Cc1cnc(N[C@H]2CCC[C@@H]2N)cc1B(O)O	2217179721	NNCISVRSZFBJBE-UWVGGRQHSA-N	235.096	-0.638	50	10	BBGE	
C[C@H](Nc1nccc(B(O)O)c1F)C(C)(C)N	2217180202	RBGLCQSTADPEJF-LURJTMIESA-N	241.075	-0.562	50	10	BBGE	
Cc1cnc(N2CC[C@H]3C[C@H]3C2)cc1B(O)O	2217180765	VRJSVCBHPNCRER-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3CC=CC[C@H]32)nc1	2217181376	OXEUHRPIGZRFIA-MWLCHTKSSA-N	230.076	-0.084	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN=c1ccc(B(O)O)c[nH]1	2217184738	RFRJRXLOUCBNAF-WCBMZHEXSA-N	236.080	-0.980	50	10	BBGE	
C=CC[C@H](N)COc1nccc(B(O)O)c1F	2217195563	LIPUANQNIHHVFU-ZETCQYMHSA-N	240.043	-0.817	50	10	BBGE	
C[C@@H](CCCCO)Nc1ccc(B(O)O)cn1	2217202345	JRRZMMWGFWZGHK-VIFPVBQESA-N	238.096	-0.276	50	10	BBGE	
OCCN(Cc1cccc(B(O)O)c1)CC1CC1	2220072647	MGKMCVOWJAPNMU-UHFFFAOYSA-N	249.119	-0.429	50	10	BBGE	
CN(Cc1ccncn1)C[C@@H]1CC[C@@H]1C(=O)NN	2221566733	KXCQRXGVZMFUHE-ONGXEEELSA-N	249.318	-0.076	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3NCC[C@H]32)cc1B(O)O	2223643727	ZOSIQRIRICSMPH-DVVUODLYSA-N	247.107	-0.768	50	10	BBGE	
Cc1cnc(N[C@H]2CN3CC[C@H]2C3)cc1B(O)O	2223645469	AANIJKHIJLIHEY-ONGXEEELSA-N	247.107	-0.814	50	10	BBGE	
OB(O)c1ccnc(NC2CN(C3CCC3)C2)c1	2223645772	YZSBDAPTMXRGQJ-UHFFFAOYSA-N	247.107	-0.590	50	10	BBGE	
C[C@]12CO[C@](CNc3cc(B(O)O)ccn3)(C1)C2	2223649400	YDBLMETWIIMCBR-TXEJJXNPSA-N	248.091	-0.258	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@H](C)[C@H]1N	2223672263	SULXDGRSEBYPNS-LNLATYFQSA-N	249.123	-0.677	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)nc1	2223677070	JPHPCLLLRVPXSP-WDEREUQCSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H](C(=O)NCC=CB(O)O)C(F)F	2241437899	GQYHEVDXVOQAEO-RXMQYKEDSA-N	206.985	-0.428	50	10	BBGE	
O=C(CBr)NCC1(O)CSC1	2241491863	WKAVKTMHORWSGC-UHFFFAOYSA-N	240.122	-0.025	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)C(F)(F)F	2241557624	AQWIFDGRUACZSQ-UHFFFAOYSA-N	233.942	-0.738	50	10	BBGE	
COc1ncccc1NC(=O)C#CB(O)O	2243356672	LKAZFKBBOJEJKB-UHFFFAOYSA-N	219.993	-0.956	50	10	BBGE	
CC[C@@H]1CC(=O)N(C(=O)C#CB(O)O)[C@H]1C	2243357572	YOLQONOSQNTANP-JGVFFNPUSA-N	223.037	-0.825	50	10	BBGE	
CCN(C(=O)c1csnc1B(O)O)C1CC1	2243377559	BOLJISXRSFXDHG-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
Cc1csc(C(=O)N(O)C(C)C)c1B(O)O	2243377885	IRQSPZDVDTUXMM-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1OC2CCC1CC2	2243392157	RUNCYSRJBLMGCY-YNTFGVKOSA-N	225.053	-0.066	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2243403746	CAZWCLMZFOTCEN-KRTGUUSXSA-N	227.069	-0.467	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1ccc(B(O)O)s1	2243407108	LQANUQQLZPBVTQ-ZETCQYMHSA-N	235.073	-0.724	50	10	BBGE	
CC(C)(C)NC(=O)c1ccc(B(O)O)cn1	2243407544	UUXDPMFTUUASCA-UHFFFAOYSA-N	222.053	-0.710	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243408742	UMBCEGUSKLWUCF-SSDOTTSWSA-N	221.021	-0.947	50	10	BBGE	
CN1CCC(NC(=O)C2(B(O)O)CC2)CC1	2243409260	DYJBLFQTXDXDJF-UHFFFAOYSA-N	226.085	-0.796	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	2243413378	FIBCTBBNNXAAAB-DFAZKQQPSA-N	227.069	-0.921	50	10	BBGE	
C#CC(=O)N(C)[C@@H](C)c1cscc1B(O)O	2243666555	AOQXBZKUUAEOIP-ZETCQYMHSA-N	237.089	-0.420	50	10	BBGE	
OB(O)c1cscc1CO[C@H]1C=CCOC1	2244068833	PVUDVJRHKRMQQY-VIFPVBQESA-N	240.089	-0.101	50	10	BBGE	
C=CCN(Cc1ccccc1B(O)O)OC	2244259689	ZXXDAGYRQCWSMT-UHFFFAOYSA-N	221.065	-0.084	50	10	BBGE	
CN(c1cc(B(O)O)c(Cl)cn1)C1COC1	2245913039	LDVVRYUHKBUDKH-UHFFFAOYSA-N	242.471	-0.750	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)C1(B(O)O)CCC1	2247737444	GODKYCSHTOWGRN-UHFFFAOYSA-N	243.068	-0.549	50	10	BBGE	
C[C@@H]1C[C@H]1CCNC(=O)c1ccc(B(O)O)o1	2247740263	IFBRZDIDCNAUDY-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
COC[C@H](C)N(C)C(=O)c1ccoc1B(O)O	2247744293	QRKUTBJJMTYUNM-ZETCQYMHSA-N	241.052	-0.934	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N1CC[C@H]1C	2247752111	IOLSRZVLZVUVFG-MRVPVSSYSA-N	233.076	-0.091	50	10	BBGE	
CC(C)[C@](C)(NC(=O)C1(B(O)O)CC1)C(N)=O	2247754441	DDHSYHLJLIHPOS-VIFPVBQESA-N	242.084	-0.990	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]2CC[C@@H]21)C1(B(O)O)CC1	2247755459	JZUYEKYJZVPZBP-DJLDLDEBSA-N	238.096	-0.750	50	10	BBGE	
CC(C)[C@H]1[C@H](O)CCN1C(=O)C1(B(O)O)CC1	2247758831	XSPYSOKBCRDSOZ-BDAKNGLRSA-N	241.096	-0.389	50	10	BBGE	
O=C(N1CC[C@H]2OCC[C@@H]2C1)C1(B(O)O)CC1	2247758894	YICSLLUQHSGGBD-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)cn1CC	2247760750	MVZDUKGRPDGACN-MRVPVSSYSA-N	236.080	-0.508	50	10	BBGE	
C#C[C@H]1CCN1C(=O)c1cc(B(O)O)c(C)s1	2247787125	LDLUYJUCQVWLNK-QMMMGPOBSA-N	249.100	-0.416	50	10	BBGE	
CC[C@H](C)N(CCO)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787815	VHEBCIPVKMLUOC-LPEHRKFASA-N	243.112	-0.141	50	10	BBGE	
CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2247797232	HKWHURWCCKARBR-BBBLOLIVSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247804329	GJJBVGJBNMASCX-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2C[C@@]2(CO)C1	2247807021	GXZACXOFGZDNPS-LURLDICESA-N	239.080	-0.920	50	10	BBGE	
C[C@@H]1CNC[C@@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247809292	OSONMCHHWVHELB-XKNYDFJKSA-N	240.112	-0.646	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1F)C1CC(B(O)O)C1	2247810294	WBTSXMPBRZTIBU-PEBLOWIWSA-N	244.075	-0.944	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC(F)(F)C[C@@H]2C1	2247847415	WWZJXQSJLGNUKS-HTQZYQBOSA-N	243.018	-0.495	50	10	BBGE	
O=C(NC1CC2(CC2)C1)c1ccc(B(O)O)o1	2247852090	OQZQWUDLLYSARQ-UHFFFAOYSA-N	235.048	-0.368	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2C[C@H]2CO1)C1(B(O)O)CC1	2247853066	FXTCRLKFVZANGW-VGMNWLOBSA-N	239.080	-0.465	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)NOCCF	2247855535	UIJVBQOICAIDPL-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N(C)C1CC1	2247874548	RNBNDCDQRWOKPE-UHFFFAOYSA-N	233.076	-0.091	50	10	BBGE	
Cc1cc(C(=O)N2CC=C(F)C2)oc1B(O)O	2247875707	AWDJLZBMIWGAPS-UHFFFAOYSA-N	239.011	-0.423	50	10	BBGE	
C#CCOC1CN(C(=O)C2(B(O)O)CCC2)C1	2247880283	YXEQOLVYWOBADE-UHFFFAOYSA-N	237.064	-0.756	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(B(O)O)c(F)c1	2248442341	RWZXYLZXWNNJGM-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
C=CCC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248586957	JWUICAQQKBFDJH-SSDOTTSWSA-N	241.052	-0.471	50	10	BBGE	
C[C@H](CF)N(C)C(=O)c1ncccc1B(O)O	2249302818	PUPINJWCWIVGLA-SSDOTTSWSA-N	240.043	-0.809	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cc(B(O)O)co1	2249408786	HOKLTKDVAIKSRO-SECBINFHSA-N	233.032	-0.803	50	10	BBGE	
C=CCN(CC12CC(C(=O)NN)(CO1)C2)OC	2249515213	FZNRVVHCGVMJNT-UHFFFAOYSA-N	241.291	-0.425	50	10	BBGE	
O=C(O)CN(C(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2250558546	IQZWZBNCWIOUCR-JGVFFNPUSA-N	241.052	-0.685	50	10	BBGE	
COC[C@H](OC1(C2CCC2)COC1)C(=O)NN	2250783371	RVQMJEYICOKVHO-VIFPVBQESA-N	244.291	-0.423	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@H](c2ncc[nH]2)C1	2255467782	RKVVXMOKMWLKRO-VIFPVBQESA-N	247.063	-0.869	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2C[C@@H]2[C@H]2C[C@H]21	2255672638	JXUPQWAPFULWEE-WGNDUZGJSA-N	246.075	-0.825	50	10	BBGE	
CCN(CC1CC1)C(=O)c1ccc(B(O)O)cn1	2255715861	LGSKAPSWDGOWPO-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1occc1B(O)O	2255741206	KRRYYRXANQEOQS-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
CCC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CCO1	2298368677	RLAYSEJRDGULDA-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
C[C@H]1CNCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298369269	OYOSERVIAWFKOG-QCLAVDOMSA-N	240.112	-0.694	50	10	BBGE	
COc1ccn(C[C@H]2C[C@H]2C(=O)NN)c(=O)c1	2298955483	RLWNAZTXAWDXCG-VXNVDRBHSA-N	237.259	-0.517	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(=O)N[C@H](C)C1	2302024521	VPLGOXQRWFQHGT-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC[C@@H]2CCNC2=O)C1	2303157226	ZXQGUSBYAJJYHN-ONGXEEELSA-N	240.112	-0.549	50	10	BBGE	
CC[C@@](C)(CN(C)[C@@H]1CCNC1=O)C(=O)NN	2303421663	WJSXTEGMZYBVCB-KCJUWKMLSA-N	242.323	-0.787	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)c1cccc(B(O)O)c1	2307376543	BYQYLGPUVPCDBE-MGCOHNPYSA-N	237.039	-0.403	50	10	BBGE	
OB(O)c1ccc(NC[C@@]23CC[C@@H](C2)NC3)nc1	2316454863	UIUKCGVMTLDBKT-JQWIXIFHSA-N	247.107	-0.685	50	10	BBGE	
COC1CC(Nc2ccc(C=O)c(B(O)O)c2)C1	2317351169	DMRGZDITIRLJCI-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
CN1CCN(C(=O)C(C#N)=CNCCC#N)CC1	2318463091	WNXBIIMFVDONDX-UHFFFAOYSA-N	247.302	-0.329	50	10	BBGE	
Cc1cc(=O)n(CCC(=O)NN)cc1[N+](=O)[O-]	92803268	WHFLLTSLSFLSEU-UHFFFAOYSA-N	240.219	-0.555	50	10	BBGE	
O=C=Nc1nnc2c(=O)c3c([nH]n12)CCC3	106354971	MYVGOMVYOWSLHH-UHFFFAOYSA-N	217.188	-0.126	50	10	BBGE	
COC(=O)N1C[C@@H]2CC(=O)OC(=O)[C@H]2C1	106841097	ZBJLLNFAQMUTET-WDSKDSINSA-N	213.189	-0.226	50	10	BBGE	
C[C@@H](CNC(=O)NC(=O)CCl)[S@](C)=O	135302406	OGWJKSCYWUEQFS-OVZGEXIGSA-N	240.712	-0.182	50	10	BBGE	
OC[C@@H]1COCCN1C[C@H](O)CCl	159704747	GUXJGEJBTMITHE-HTQZYQBOSA-N	209.673	-0.721	50	10	BBGE	
CC(C)[C@@H](N)C(=S)N(C)CB(O)O	216505694	MYXXAEHQCQISIS-ZCFIWIBFSA-N	204.104	-0.759	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CCS1	221053546	VUCNTNKNOKUFQJ-NKWVEPMBSA-N	203.311	-0.198	50	10	BBGE	
CCNC(=O)[C@H]1COCCN1C[C@@H](Cl)C#N	228520714	UYPZKBDJZIWADY-DTWKUNHWSA-N	245.710	-0.046	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)[C@H](C)CN(C)C	232420923	DBPMJCOKSAHOSA-ZJUUUORDSA-N	246.355	-0.737	50	10	BBGE	
NNC(=O)Cc1n[nH]c2ccc(O)cc12	238660130	CDNCFOABZITZDU-UHFFFAOYSA-N	206.205	-0.199	50	10	BBGE	
C[C@H](CCl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	380618325	ZXQJRSSRJTUCHJ-XCBNKYQSSA-N	248.710	-0.300	50	10	BBGE	
CCOC(=O)CC(C)=NNC(=O)NC(=N)N	381061205	LCKNZMOOALDFOF-UHFFFAOYSA-N	229.240	-0.492	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@](C)(CO)C1	381372659	MZUJTRQZIZQRQB-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
CN(C)CCN(C)Cc1nc(C(=O)NN)co1	386932338	GAEZJGFNTGHOEM-UHFFFAOYSA-N	241.295	-0.729	50	10	BBGE	
Nc1c(B(O)O)sc2ccc(C=O)cc12	396260968	WHWHPYNOLMFGJM-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CSc1ccc(O)c(B(O)O)c1F	575705821	ODLVKTCKVRZGCM-UHFFFAOYSA-N	202.015	-0.067	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1cccc(B(O)O)c1	584992928	QGENBHYMMKPANL-MRVPVSSYSA-N	239.055	-0.156	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](CN(C)C)C1	689158582	LGNBGAQLCITSFV-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@H]1O	689820125	WYCMEWDJWWTUQJ-HRDYMLBCSA-N	215.297	-0.542	50	10	BBGE	
COC1CC(C(=O)NNC(N)=S)C1	703373933	GYAXJEIGSWFWNP-UHFFFAOYSA-N	203.267	-0.724	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@H](O)C1CC1	703447958	AJPIOJVDAPIECN-HLTSFMKQSA-N	225.244	-0.326	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)CCO	710052601	CYIMIJLLRZOQJQ-QMMMGPOBSA-N	203.286	-0.685	50	10	BBGE	
COCCCOCc1nsc(C(=O)NN)n1	724344622	ASKDLJHWKYVZQV-UHFFFAOYSA-N	246.292	-0.305	50	10	BBGE	
C[C@H](O)[C@H](C)NC1=C(C#N)[C@@H](N)[N]S1	725590049	WEUQVVZPCUPEBY-VPLCAKHXSA-N	213.286	-0.369	50	10	BBGE	
COc1nn(C)cc1NC(=O)NNC(C)=O	789331306	RAZOYBZKQNRCCU-UHFFFAOYSA-N	227.224	-0.399	50	10	BBGE	
Cn1ncc(CNC(=O)NNc2ncccn2)n1	807571474	XLAPAKNENZLYCG-UHFFFAOYSA-N	248.250	-0.569	50	10	BBGE	
CC(=O)NNC(=O)N[C@@H](CN)C(F)(F)F	848597546	PJOJSDKMOFZWOY-BYPYZUCNSA-N	228.174	-0.774	50	10	BBGE	
CC(=O)NNC(=O)CN1C(=O)Cc2ccccc21	854154673	FDBLOOFLHAIMQV-UHFFFAOYSA-N	247.254	-0.257	50	10	BBGE	
CNC(=O)NNC(=O)[C@H]1C[C@@H](C)CO1	900353076	NZNUOSSQFZGFLV-PHDIDXHHSA-N	201.226	-0.628	50	10	BBGE	
C=CC[C@@H](NNC(=O)c1cn[nH]c1)C(=O)OC	905773515	IQCNIKYELWXMTJ-MRVPVSSYSA-N	238.247	-0.238	50	10	BBGE	
O=C(Cc1cc[nH]n1)NN=Cc1cncnc1	1117741678	DJPSIPSAPQZUGX-UHFFFAOYSA-N	230.231	-0.108	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@H]1C[C@H]1C(N)=O	1540579157	KVWDPGDZUKLWIT-RITPCOANSA-N	243.263	-0.336	50	10	BBGE	
CNC(=O)NNC(=O)C[C@H](C)c1cnn(C)c1	1543663288	DSSKZBDIESYFLB-ZETCQYMHSA-N	239.279	-0.126	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2cnco2)n[nH]1	1570717234	VXMBHBWQJYHBCU-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
CN(C)C(=O)NNC(=O)CCCCO	1583708121	NOJOXXVKBZSWMY-UHFFFAOYSA-N	203.242	-0.549	50	10	BBGE	
Cc1nnc(NNC(=O)Cc2cc[nH]n2)nc1O	1648412819	PYOOLKOOKFEWCV-UHFFFAOYSA-N	249.234	-0.705	50	10	BBGE	
CC(C)(C)OC(=O)N[C@H](C(=O)NN)C(C)(C)O	1880064651	NNWAQWLBRTZJJB-ZCFIWIBFSA-N	247.295	-0.360	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H]2[C@@H](O)C[C@@H]21	1882061391	IINVSLMANIKPEN-ACZMJKKPSA-N	225.697	-0.032	50	10	BBGE	
O=C(Cl)C=CC(=O)NC[C@@H](O)CF	1883626166	CBVMZKKXWKOPCR-YFKPBYRVSA-N	209.604	-0.245	50	10	BBGE	
NC(=O)[C@@]1(O)CCN(CC=CCCl)C1	1884308620	LRLHBKZLIGZSLR-SECBINFHSA-N	218.684	-0.297	50	10	BBGE	
O=C(CCCl)N1CC([C@H](O)CO)C1	1887273566	MPAMNVQTFPAUFE-SSDOTTSWSA-N	207.657	-0.573	50	10	BBGE	
OB(O)c1csc(Cn2ccnc2)n1	1891824619	ZSLWILUNUANGCJ-UHFFFAOYSA-N	209.039	-0.932	50	10	BBGE	
COC(=O)[C@H](N)C[S@](=O)C[C@H]1C[C@@H]1Cl	1893117501	AZBJDFGTSQATQS-NJNYZAOXSA-N	239.724	-0.137	50	10	BBGE	
CN(c1ccc(B(O)O)cc1C#N)C1CC1	1901205261	ULJIZLWQLNLESZ-UHFFFAOYSA-N	216.049	-0.163	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H](N)C1CCC1	1901376838	GXAURPSYMDLOMH-QMMMGPOBSA-N	249.336	-0.574	50	10	BBGE	
COCCCOCCOC[C@@H](C)C(=O)NN	1901430996	RYYNOXZBAIADCY-SECBINFHSA-N	234.296	-0.318	50	10	BBGE	
C[C@H](COCCO[C@@H]1CCOC1)C(=O)NN	1901437028	VBOCKCZKEVIBIC-RKDXNWHRSA-N	232.280	-0.566	50	10	BBGE	
CN(Cc1nc(B(O)O)cs1)[C@H]1CCOC1	1902636835	CTSBDUZLBNVOED-ZETCQYMHSA-N	242.109	-0.956	50	10	BBGE	
CC[C@](C)(CN1CC[C@@H](O)[C@@H]1C)C(=O)NN	1902707138	QXNPKWMHNBHYKM-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H]2CO	1907249772	JLBRRDKSIGTHGA-VLEAKVRGSA-N	241.335	-0.154	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)C[C@@H]1F	1909026511	KFGLVYKLIUNZPP-MUWHJKNJSA-N	242.034	-0.305	50	10	BBGE	
Cn1cc(C(=O)N(CCCl)C2COC2)nn1	1915647272	RJIFRTZMSPTHLJ-UHFFFAOYSA-N	244.682	-0.105	50	10	BBGE	
CN(Cc1ccc(C(=O)NN)o1)C1COC1	1915651142	RTBINSZZQPOWRL-UHFFFAOYSA-N	225.248	-0.286	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1COC1	1915651351	UDKLQCIEYOAXMP-RNFRBKRXSA-N	201.270	-0.669	50	10	BBGE	
COCC1CN(Cc2ccc(B(O)O)cc2)C1	1916307515	URZCFYZAZXLCFV-UHFFFAOYSA-N	235.092	-0.555	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926418759	CXIBUYXEGSPMDP-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)CCCN1CC2(CSC2)C1	1928606106	PZVOPILKOULYAW-UHFFFAOYSA-N	215.322	-0.195	50	10	BBGE	
CON(C)Cc1cc(C(=O)NN)no1	1928676536	JTLDCCAPAZUQMT-UHFFFAOYSA-N	200.198	-0.729	50	10	BBGE	
Cn1cnc([C@@H]2C(=O)NC(=O)[C@H]2Cl)n1	1929101934	MFPXNAGFKILXEB-DMTCNVIQSA-N	214.612	-0.838	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NNCCO)[C@@H]1C	1929839159	YVRXNFUENDVAFN-XAVMHZPKSA-N	216.281	-0.341	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)CCS1	1936534266	ODHLTWBTPYIJJZ-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
C[C@H](CN1CC[C@@](C)(N(C)C)C1)C(=O)NN	1937549394	UHVKVSRSZMHQCZ-MWLCHTKSSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2OCC[C@H]2C1	1938636686	PFQCXBDWXYIEBT-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@H]1C[C@@H]1C(=O)NN	1941086785	TXVCVIRETUWAOG-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)c1cccnc1CN1CC(CO)C1	1944081125	XLLNIGCEJCVIEY-UHFFFAOYSA-N	236.275	-0.891	50	10	BBGE	
CC(C)(CCN1CC(N2CCC2)C1)C(=O)NN	1946876567	SCUJRAAGMVUVTN-UHFFFAOYSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1ccn(C[C@@]23CCC[C@H]2CCO3)n1	1947437207	OYJSMAMFWAQZRY-ONGXEEELSA-N	236.080	-0.478	50	10	BBGE	
Cc1cnsc1C(=O)NNCCO	1954038680	JKQOAKQMEVKJKB-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
CO[C@@]1(CNC(=O)NN)CCCOC1	1954924701	OWMXQLCPTXDHQF-MRVPVSSYSA-N	203.242	-0.645	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@H]21	1955233742	UFDYFXZFPYGTCX-XUTVFYLZSA-N	219.668	-0.168	50	10	BBGE	
NC(=O)[C@@H]1CCCCN1C[C@H](O)CCl	1956255681	CCVWAGLHKHUHEX-SFYZADRCSA-N	220.700	-0.074	50	10	BBGE	
COC[C@H](NC(=O)C[C@H](C)Cl)C(N)=O	1957319051	RQPLXYYQFYSLAE-WDSKDSINSA-N	222.672	-0.380	50	10	BBGE	
CC12CC(C(=O)NCB(O)O)(CCO1)C2	1960149831	PAHSRYGOGQARSX-UHFFFAOYSA-N	213.042	-0.926	50	10	BBGE	
COCCNC(=O)CNC(=O)C[C@H](C)Cl	1962374292	VCQGVZRFZVEDIW-ZETCQYMHSA-N	236.699	-0.117	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	1980940433	QSFKKQKDROYKJC-KVQBGUIXSA-N	233.218	-0.616	50	10	BBGE	
C[C@H]1C[C@H](C)C(=O)N(CCC(=O)NN)C1=O	1983373387	CXGBJJTWRAXABK-BQBZGAKWSA-N	227.264	-0.603	50	10	BBGE	
CC(C)(N)[C@@H](O)C(=O)N1CC=C(C#N)CC1	1983455398	KYCCPKAWUHXYOE-VIFPVBQESA-N	223.276	-0.233	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)s1	1985738446	AIWCBFXUNODRPA-SVRRBLITSA-N	241.316	-0.083	50	10	BBGE	
CN1[C@H]2CCC[C@H]1CN(CCC(=O)NN)C2	1987554627	FKRIRTFOFAZWHB-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccc(N)cc1F	1989371039	HQKPVCYESNCXEJ-UHFFFAOYSA-N	247.251	-0.263	50	10	BBGE	
CNCCSC[C@H]1CCC[C@@H](C(=O)NN)O1	1990164710	ROGXFYKSTQJRTO-BDAKNGLRSA-N	247.364	-0.133	50	10	BBGE	
O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)[C@H]1C[C@@H]1Cl	1991674646	GKOILYBSHOLCQW-ZFVDQJKFSA-N	247.678	-0.044	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2COC[C@H]2Cl)COCCO1	1992638589	MISQYBKKBWGMSU-NQMVMOMDSA-N	249.694	-0.086	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOCCOCC1	1997204252	ZHZQUUHOGJKATL-SNVBAGLBSA-N	245.323	-0.506	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1Cc2cnn(C)c2C1	2003027019	JYDMCJXZBFXOQF-QMMMGPOBSA-N	237.307	-0.106	50	10	BBGE	
NNC(=O)c1coc(CN2CCC23COC3)n1	2004486235	JDEGMXMIJGSEAE-UHFFFAOYSA-N	238.247	-0.747	50	10	BBGE	
Cc1ncc(B(O)O)c(OCCC(F)(F)F)n1	2004931443	KKKNFXJNJQEBCR-UHFFFAOYSA-N	249.985	-0.204	50	10	BBGE	
C[C@H]1CCOC[C@H]1Oc1ccc(B(O)O)cn1	2004950267	CXXWGBNTDUATCP-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
C[C@@H](CN1CC(C)(CCN(C)C)C1)C(=O)NN	2009679139	TZVAMHSPYSESGI-JTQLQIEISA-N	242.367	-0.114	50	10	BBGE	
Cc1cc(CN2C[C@@H](O)[C@@H]2C)oc1C(=O)NN	2011373754	QKTNNTRALDLKAS-IONNQARKSA-N	239.275	-0.243	50	10	BBGE	
CC1(C)OCCO[C@H]1CN1CC(=O)OC(=O)C1	2013862031	NEWBSYIAFUACOI-QMMMGPOBSA-N	243.259	-0.434	50	10	BBGE	
C[C@H]1CCCN(C2CN(CCC(=O)NN)C2)C1	2014763905	BLMGCEATCXTLNL-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
C[C@@H]1CN(c2ncc(F)cc2B(O)O)CCO1	2014925720	FAWDQGRRSCXSMB-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC12CCC2	2015510825	YYBDUPJAODWDEK-SECBINFHSA-N	233.076	-0.282	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F	2017291045	BZVWQMPVACJOII-CWKFCGSDSA-N	249.261	-0.566	50	10	BBGE	
CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(C)=O	2019218692	HDNNNRKMWBAYRO-WPRPVWTQSA-N	243.307	-0.347	50	10	BBGE	
N#C[C@@H]1CCCN(C(=O)NCC=CB(O)O)C1	2020068239	PEMIVRILQXDLOU-VIFPVBQESA-N	237.068	-0.500	50	10	BBGE	
O=C(CN1CC=C[C@@H](O)C1)NNc1ccccn1	2046507641	WVFSFQBIPZFMHD-SNVBAGLBSA-N	248.286	-0.243	50	10	BBGE	
CN(CC1C[C@H]2C[C@@H]2C1)c1ncc(B(O)O)cn1	2052473839	XTGWWJRXNPELBN-UWVGGRQHSA-N	247.107	-0.361	50	10	BBGE	
OB(O)c1cnccc1N1CCC12CCOCC2	2052507497	PQVULHNMJOUJQR-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2CC23CC3)n1	2052623713	AJASKQOURGEAOO-SECBINFHSA-N	247.107	-0.299	50	10	BBGE	
COc1c(B(O)O)ccc(F)c1C1OCCO1	2054804168	VMXQLCCNFUZUMA-UHFFFAOYSA-N	242.011	-0.441	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@H]1[C@H]2OCC[C@@H]21	2056375697	NUTWOVGCEDQGTH-MXWKQRLJSA-N	247.059	-0.660	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@H]1COC2CC1C2	2063125408	SPOGXHYQUBPCAA-KWPJZBAWSA-N	248.091	-0.625	50	10	BBGE	
CC1(NC(=O)Nc2ncccc2B(O)O)CCC1	2069318138	AXDLHEKITASQQE-UHFFFAOYSA-N	249.079	-0.175	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccccc2B(O)O)[C@@H]1C	2079007893	BGLVIYCLASJVCA-RKDXNWHRSA-N	247.103	-0.002	50	10	BBGE	
OC[C@]1(O)CCN(CCCl)C[C@H]1O	2209146830	AVGXLXBQZVGPKW-HTQZYQBOSA-N	209.673	-0.985	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3COC[C@@H]32)s1	2211078621	OBIAIFOZZBBRMX-CBAPKCEASA-N	239.105	-0.742	50	10	BBGE	
CC(C)[C@@H](CN)Oc1ccc(B(O)O)cn1	2212601608	QFHYLYJKIWMEPE-SECBINFHSA-N	224.069	-0.877	50	10	BBGE	
CC(C)(O)CCNc1cc(B(O)O)ccn1	2212610223	FGZOZQFXSYOLCY-UHFFFAOYSA-N	224.069	-0.666	50	10	BBGE	
CCOC[C@H](C)Nc1cc(B(O)O)ccn1	2212610371	HUNLGIKXSZOJEZ-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
OB(O)c1ccc(=NCC=CC2CC2)[nH]c1	2212610721	NWXNKTYGNANKCG-UHFFFAOYSA-N	218.065	-0.439	50	10	BBGE	
NC[C@H](Nc1ccc(B(O)O)cn1)C(F)(F)F	2217175930	PHXGQHMWDFWQTQ-LURJTMIESA-N	249.001	-0.937	50	10	BBGE	
CCCCCCCN=c1ncc(B(O)O)c[nH]1	2217177665	LXLJQZYUTJNYJR-UHFFFAOYSA-N	237.112	-0.039	50	10	BBGE	
CCC1(N)CC(Oc2ccc(B(O)O)cn2)C1	2217185357	VYZCBXIBFHLLKS-UHFFFAOYSA-N	236.080	-0.590	50	10	BBGE	
CC1(C)CN[C@H]1COc1ccc(B(O)O)cn1	2217185427	XFIIWZAVNKMXBF-VIFPVBQESA-N	236.080	-0.862	50	10	BBGE	
N[C@@H]1CCC[C@@H](Oc2ncccc2B(O)O)C1	2217185453	XPHOXTCGUGGMBA-RKDXNWHRSA-N	236.080	-0.590	50	10	BBGE	
CC(C)(N)C(C)(C)Oc1cc(B(O)O)ccn1	2217186151	GRNIEIBIPOKJEA-UHFFFAOYSA-N	238.096	-0.344	50	10	BBGE	
C[C@@H](CCCN)COc1ccc(B(O)O)cn1	2217193727	WTWWCVROCXKHGA-VIFPVBQESA-N	238.096	-0.485	50	10	BBGE	
Nc1ncccc1Nc1cc(B(O)O)ccn1	2217197657	PFBJKLFCQXEIEU-UHFFFAOYSA-N	230.036	-0.518	50	10	BBGE	
OB(O)c1cnc(NC2[C@@H]3CCCC[C@@H]23)nc1	2217199600	NPJDQDYLWKUNRD-RKDXNWHRSA-N	233.080	-0.243	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2CC=C[C@H]1C2	2217200370	SMVLSRJJZZFBSY-UWVGGRQHSA-N	230.076	-0.084	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H](N)CC2)cc1B(O)O	2223644379	IHNYFIOCWPFEAQ-MGCOHNPYSA-N	249.123	-0.248	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCN[C@H]2C2CC2)nc1	2223645021	QYWLXHXCQUVRHH-PWSUYJOCSA-N	247.107	-0.686	50	10	BBGE	
CCN1CCC[C@@H]1CNc1ccc(B(O)O)cn1	2223671732	ARQGPFUOVYBBJM-LLVKDONJSA-N	249.123	-0.342	50	10	BBGE	
C[C@H]1C[C@@H]1N(C)C(=O)c1coc(B(O)O)c1	2243350245	XYRGVMSBPFJDQX-XPUUQOCRSA-N	223.037	-0.560	50	10	BBGE	
CCCNC(=O)c1nccc(C)c1B(O)O	2243378742	YOKPVZVDQQEIOS-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
Cc1sc(C(=O)N2CCCC2)cc1B(O)O	2243381702	IPBUSFLYPHQQDR-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
CCOC[C@H](C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243382213	LWBDJJFXLUWQIG-XHNCKOQMSA-N	229.085	-0.219	50	10	BBGE	
O=C1[C@@H]2CC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2243382296	NBXYBVMJPSHYAC-XUTVFYLZSA-N	223.037	-0.756	50	10	BBGE	
C#CCCCNC(=O)c1ccsc1B(O)O	2243398159	NNKHUNCZBVJONK-UHFFFAOYSA-N	237.089	-0.429	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)[S@@](C)=O	2243403908	FYHFPRNZWNYJJV-OSBXHZLRSA-N	247.125	-0.877	50	10	BBGE	
COC(OC)[C@H](C)NC(=O)C1(B(O)O)CC1	2243410518	COFZNSCFMHPEQP-LURJTMIESA-N	231.057	-0.883	50	10	BBGE	
NC[C@H]1CC[C@H]1NC(=O)C1(B(O)O)CCC1	2243411331	RNHMMCJHFNVYHG-HTQZYQBOSA-N	226.085	-0.763	50	10	BBGE	
NNC(=O)C1(COC2(C3CC3)COC2)CC1	2245018605	SRPRSUDNWYYGDZ-UHFFFAOYSA-N	226.276	-0.048	50	10	BBGE	
Cc1nn(CC[C@H]2CCO2)c(C)c1B(O)O	2246222381	XOYUDBBLKBQYED-VIFPVBQESA-N	224.069	-0.641	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@@]2(O)C[C@H]2C1	2246750518	VLXIVMDCOJBJQR-HOSYDEDBSA-N	241.335	-0.152	50	10	BBGE	
CC1=C[C@H](NC(=O)c2ccc(B(O)O)o2)CC1	2247738734	VBNAWCZQVBFKJF-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
O=C(C#CB(O)O)N1C(=O)C[C@@H]2CCCC[C@@H]21	2247742909	VWJVNGMJONQBCN-IUCAKERBSA-N	235.048	-0.681	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H](CO)C1)C1(B(O)O)CC1	2247753396	GLCQWCMGOMDOFZ-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
C[C@H](CC#N)N(C)C(=O)c1occc1B(O)O	2247756156	MJXWMJJWWOUJJH-SSDOTTSWSA-N	236.036	-0.666	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@H](F)C1	2247758391	VHXHEFZNXUTDSE-ZETCQYMHSA-N	241.027	-0.467	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](B(O)O)C1	2247787523	QEZWADFDFSVDMD-RGOKHQFPSA-N	241.096	-0.341	50	10	BBGE	
CCN(CC)C(=O)c1c(B(O)O)cnn1CC	2247796193	VIOIVSVKNHKLHG-UHFFFAOYSA-N	239.084	-0.935	50	10	BBGE	
Cc1c(NC(=O)C2CC(B(O)O)C2)cnn1C	2247805115	JMSYHHHPGWGQGI-UHFFFAOYSA-N	237.068	-0.080	50	10	BBGE	
CO[C@](C)(CNC(=O)[C@@H]1C[C@H]1B(O)O)C1CC1	2247807910	SCXWCQYPFXKNQY-FXPVBKGRSA-N	241.096	-0.219	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2CCCC[C@H]21	2247848617	OFUPVUXCMXAPJN-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccc(F)cc21	2247849907	GUQMMRSNZIRQGZ-UHFFFAOYSA-N	233.007	-0.270	50	10	BBGE	
O=C(C#CB(O)O)N[C@H](CO)C1CCCCC1	2247850456	OQGDKJBTHHTKAC-SNVBAGLBSA-N	239.080	-0.941	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@H](C)CO1	2247859697	OEPOKVNUYNDAKR-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2coc(B(O)O)c2)C1(F)F	2247871516	CKNGBKJLARPOPW-FBCQKBJTSA-N	244.990	-0.657	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H]1CO	2247886305	ALUKKBBRPOEPCF-HLTSFMKQSA-N	241.096	-0.674	50	10	BBGE	
Cc1conc1CNC(=O)C1CC(B(O)O)C1	2247892381	ZPVIMSSNOMCVTC-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
O=C(O)CC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2248577728	OSMSQUXXIHXKRQ-PRJMDXOYSA-N	241.052	-0.685	50	10	BBGE	
O=C(O)C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2B(O)O)C1	2248592999	IMXRDNUQCMSNCF-DKXJUACHSA-N	241.052	-0.781	50	10	BBGE	
C=CC1(NC(=O)c2cc(B(O)O)co2)CCC1	2249417300	DPWLRLUWUDSPCY-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1cc(B(O)O)co1	2249419708	KOYSDDYWNWFCAM-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(B(O)O)o3)C[C@@H]21	2255460866	ZIWWPQRPCPLIET-IWSPIJDZSA-N	249.075	-0.313	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCCC2(CC2)C1	2255469089	KRRIXUYHIGCGOA-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cc(B(O)O)cn1C	2255497300	ZAYSUIBREZREBR-UHFFFAOYSA-N	248.091	-0.811	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)cc1OC	2255497376	AECSYGOUSIJWIK-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
C[C@H](NC(=O)c1ncncc1B(O)O)C1CCC1	2255499323	GTXFPTJRWUAESY-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
Cc1cc(C(=O)N2CC=C(F)C2)ccc1B(O)O	2255511060	DLUUKOGATDFQBT-UHFFFAOYSA-N	249.050	-0.016	50	10	BBGE	
C=C[C@@H]1CCCN(C(=O)c2n[nH]cc2B(O)O)C1	2255546684	IPQWDXBJOLXFHR-MRVPVSSYSA-N	249.079	-0.872	50	10	BBGE	
C[C@@H](NC(=O)c1c[nH]nc1B(O)O)c1ccoc1	2255552802	PRQMLKDMFXJHOE-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CC1=CC[C@@H](NC(=O)c2c[nH]nc2B(O)O)CC1	2255562976	AXEAPNZMUWTPFS-MRVPVSSYSA-N	249.079	-0.682	50	10	BBGE	
C#C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1C	2255684772	PVXZKBCBYXWYGJ-SECBINFHSA-N	245.087	-0.326	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1ncccc1B(O)O	2255715714	JGCYFZBOBWFYKX-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)c2cc(B(O)O)co2)C1	2258132339	GYOVUYWIYYIOLQ-MRVPVSSYSA-N	248.047	-0.665	50	10	BBGE	
O=C(N[C@H]1CC[C@H]1C1CC1)c1cc(B(O)O)co1	2258133687	IXMBPGIQIYLDDF-UWVGGRQHSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1ncccc1B(O)O	2260235163	ZUVPSGRAARUTKI-VIFPVBQESA-N	248.091	-0.297	50	10	BBGE	
O=C(O)C1=CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298462939	MNSGPNICHMQDOA-BWZBUEFSSA-N	239.036	-0.861	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1OCCOC1(C)C	2300925349	BHYSGIXYEIPUIZ-RKDXNWHRSA-N	246.307	-0.035	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2301282156	XTSHJWDHLLGDGE-MTBHXBHISA-N	236.080	-0.531	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)CC(B(O)O)=C(C)C	2301850494	KSGBIBOMLNOMCY-QWRGUYRKSA-N	243.112	-0.320	50	10	BBGE	
C#CCNC(=O)[C@H](C)N1CC[C@](C)(B(O)O)C1	2303101978	PHBJEOFMEUJNPA-ONGXEEELSA-N	238.096	-0.937	50	10	BBGE	
C=CC[C@H](N)COc1cc(B(O)O)c(F)cn1	2303862040	VSUQFEGQCYPTKP-ZETCQYMHSA-N	240.043	-0.817	50	10	BBGE	
C=CC[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2304012381	RPYWTQKYALHNSF-IMSYWVGJSA-N	239.080	-0.443	50	10	BBGE	
CO[C@@H]1COCCN([C@@H](C)[C@H](C)C(=O)NN)C1	2306798953	JQWKWLCFHRICBM-GUBZILKMSA-N	245.323	-0.652	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CNCC[C@H]21	2312612279	MTEXEMFLHRUOOH-UTLUCORTSA-N	247.107	-0.971	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@]12CNC[C@H]1C2	2317160935	ADQSQKHJYRSKTA-SKDRFNHKSA-N	243.075	-0.988	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1c1ccc(C=O)c(B(O)O)c1	2317352015	RMCGDLCCNOLBPJ-UFBFGSQYSA-N	249.075	-0.862	50	10	BBGE	
CN(CCC#N)C(=O)CCCC(=O)NN	58854331	JPRSKKMZZOUODF-UHFFFAOYSA-N	212.253	-0.481	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H](C)CC(=O)O	61182605	KJGSCHRXFUZJCE-ZETCQYMHSA-N	245.279	-0.661	50	10	BBGE	
NC(=S)NNC(=O)c1cnns1	83593147	HADYPTDRDGLAFG-UHFFFAOYSA-N	203.252	-0.984	50	10	BBGE	
NNC(=O)c1ccc(CN2CCC(N)CC2)nc1	94763973	WASIVCVTKAAQJS-UHFFFAOYSA-N	249.318	-0.392	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H]1C(=O)NC	110590119	RHFGVCCETQLTMC-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
NNC(=O)c1ccc(-n2cnnn2)cc1Cl	121203030	DBRMOYBDXSJZCM-UHFFFAOYSA-N	238.638	-0.081	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NNC(N)=S)CO1	161849856	JOKFNJUEKMZFDD-WHFBIAKZSA-N	203.267	-0.724	50	10	BBGE	
CCC[C@H](N)C(=O)N[C@H](CC(C)C)B(O)O	213616492	DWDSWBYEFFOINZ-DTWKUNHWSA-N	230.117	-0.343	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@](C)(C(N)=O)C1	235106496	VZFLXLNKONOTSY-GZMMTYOYSA-N	242.323	-0.658	50	10	BBGE	
OB(O)c1ccnc(-c2nccs2)c1	238651962	BJOHDDCDZIRHGX-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
N#C[C@H](O)c1ccccc1N1CC(=O)NC(=O)C1	260634810	OZVGHCJRDGQITK-JTQLQIEISA-N	245.238	-0.294	50	10	BBGE	
CC(=O)N1CC(F)(F)C[C@H]1C(=O)NN	307019928	VZFQNPPLZGLMOB-YFKPBYRVSA-N	207.180	-0.768	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CS2	307367477	ORMKRVSNNIZNAR-XLPZGREQSA-N	215.322	-0.055	50	10	BBGE	
CCOC(=O)NNC(=O)[C@@H](N)CCSC	308864616	WLZLUDLBVGNZMC-LURJTMIESA-N	235.309	-0.156	50	10	BBGE	
OB(O)c1ccc(OCCc2cn[nH]c2)cc1	380060817	YDLIBYCDCVTNCS-UHFFFAOYSA-N	232.048	-0.289	50	10	BBGE	
CC(C)C(=O)NNC(=O)/C=C/C(=O)O	389339155	XLYVXTQMCIKEQP-ONEGZZNKSA-N	200.194	-0.569	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cnns1	400024716	NIWSDMJTRYQGPA-ZETCQYMHSA-N	229.309	-0.262	50	10	BBGE	
COC(=O)NNC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21	497263433	KROBPEFKAIGSQP-XVMARJQXSA-N	214.221	-0.201	50	10	BBGE	
OB(O)[C@@H]1CCN(CC[C@H]2CCOC2)C1	585074437	ADEUSUZOJNMCME-VHSXEESVSA-N	213.086	-0.038	50	10	BBGE	
C[C@@H]1CC[C@H](CO)CN1[C@H](C)C(=O)NN	688752804	FPCNEXLIGKYKTR-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC(=O)N(C)CC1	688935197	WHEGRAPPLIENCE-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C[C@]12COC[C@@H]1C2	689285226	DXQLTVQMMYENLC-QFOLPQNPSA-N	241.335	-0.031	50	10	BBGE	
NNC(=O)CCCN1CCC[C@H]2COC[C@H]21	690721713	VTJVXPSRUDBYHL-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)c1ccc(CN2CC3(COC3)C2)o1	697131519	BOQCKTGGALUPNN-UHFFFAOYSA-N	237.259	-0.285	50	10	BBGE	
CCC[C@H]1CN(C(=O)C(=O)NN)CCO1	708942906	DHRFWNRPSNENLA-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
COC(=O)N1CCc2cccc(B(O)O)c21	712147355	UTALBEIMNAPYPA-UHFFFAOYSA-N	221.021	-0.505	50	10	BBGE	
O=S(=O)(CCCl)N[C@]12COC[C@H]1C2	718109552	GAFQRNHPBKJJSA-RNFRBKRXSA-N	225.697	-0.067	50	10	BBGE	
CCC(C)(C)C(=O)NNC(=O)[C@H]1COCCO1	744642672	RTKFGPODVXHLPS-MRVPVSSYSA-N	244.291	-0.015	50	10	BBGE	
O=C(O)C1CC(=NNC(=O)[C@H]2COCCO2)C1	814861316	RAQSLSDORIETRH-QFSRMBNQSA-N	242.231	-0.631	50	10	BBGE	
CC(=O)N1CC(NS(=O)(=O)CCCl)C1	1253574000	XKYJSLBRYIQVMK-UHFFFAOYSA-N	240.712	-0.625	50	10	BBGE	
CC[C@@H](C#N)C(=O)NNC(=O)c1cn(C)nn1	1261749080	ZXDUFIUMDQVJFG-LURJTMIESA-N	236.235	-0.874	50	10	BBGE	
COC(=O)N(C)NC(=O)c1ccnnc1	1341209047	BDYVGRYJJLHFGK-UHFFFAOYSA-N	210.193	-0.180	50	10	BBGE	
O[C@@H](CBr)CCn1cnnn1	1536047598	OFOUZFYUAQHPDL-RXMQYKEDSA-N	221.058	-0.181	50	10	BBGE	
O=C(NNC(=O)c1ccncn1)c1cn[nH]c1	1587135352	FSPUHXZPZNNOHF-UHFFFAOYSA-N	232.203	-0.726	50	10	BBGE	
CN(C)C(=O)/C=C\C(=O)NNC(=O)C1CC1	1618145922	XAARWGGKBAEGTQ-WAYWQWQTSA-N	225.248	-0.812	50	10	BBGE	
Cc1c(C(=O)NNc2ncccn2)nnn1C	1625197680	UASNMSVLUXBHCY-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cc(C(N)=O)c[nH]1	1629362807	TZXWHLQHQYXJTM-LURJTMIESA-N	240.263	-0.929	50	10	BBGE	
CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CN(C)C	1641242593	CAQUDCIAKISMCO-RKDXNWHRSA-N	243.307	-0.490	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cnn(C)c1N	1645281177	IODUUCHSYGDLRY-UHFFFAOYSA-N	249.274	-0.433	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1Br)c1nn[nH]n1	1877390918	XBWRWSIWBUEDCE-QWWZWVQMSA-N	246.068	-0.287	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(=O)NC[C@H]1C	1882316208	PQENGVPFNWEWBC-RITPCOANSA-N	204.657	-0.039	50	10	BBGE	
O[C@H]1COC2(CN(CCCl)C2)[C@@H]1O	1882573703	GBDMPIYJYCTHDD-NKWVEPMBSA-N	207.657	-0.968	50	10	BBGE	
C[S@](=O)CCNC(=O)C=CC(=O)Cl	1883626699	KDCJMXKXHSTWDK-ZDUSSCGKSA-N	223.681	-0.197	50	10	BBGE	
NC1CC(O)(C(=O)NC2CC(Cl)C2)C1	1886206398	VDLTXMROKVGRFH-UHFFFAOYSA-N	218.684	-0.275	50	10	BBGE	
C[C@H](COC[C@@H]1CCOC1)C(=O)NN	1888708945	YSQBXMGCOUUPFD-HTQZYQBOSA-N	202.254	-0.335	50	10	BBGE	
O=C(CCNCCO)NC1CC(Cl)C1	1891624722	VHXDIVCJAZRDLJ-UHFFFAOYSA-N	220.700	-0.156	50	10	BBGE	
O=C(CC(F)(F)F)NCC=CB(O)O	1892925272	UEUKBSWCWDLVMY-UHFFFAOYSA-N	210.948	-0.377	50	10	BBGE	
NC(=O)COC1CN(C[C@H]2C[C@@H]2Cl)C1	1893127066	FQVGOSUUDFMPJM-SVRRBLITSA-N	218.684	-0.200	50	10	BBGE	
C[C@@]1(O)CON(C(=O)/C=C/C(=O)Cl)C1	1893498767	YGMCFEMMQHSTSD-SGJFDWMWSA-N	219.624	-0.167	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC[C@@H]1C	1899945214	HHRUCLQCCAIBQB-LURJTMIESA-N	223.037	-0.498	50	10	BBGE	
CN(NC(=O)C12CC(CCN1)C2)S(C)(=O)=O	1901341108	PEMNAVOJFAVMFI-UHFFFAOYSA-N	247.320	-0.949	50	10	BBGE	
CN(NC(=O)C1(C)CCNCC1)S(C)(=O)=O	1901374134	SCBZHKHJAJFTJM-UHFFFAOYSA-N	249.336	-0.701	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1NCC1(C)C	1901374363	ULWZHXNPFKGWPT-ZETCQYMHSA-N	249.336	-0.703	50	10	BBGE	
C[C@@H]1CN(Cc2nc(B(O)O)cs2)C[C@H]1C	1902636724	BKQHMRBSALZQNR-HTQZYQBOSA-N	240.137	-0.089	50	10	BBGE	
CC(C)(C)[C@H]1CC[C@H]1NC(=O)C#CB(O)O	1902698762	ZNFYPKMDVVJLAC-DTWKUNHWSA-N	223.081	-0.057	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2CCC(C)(C)C(=O)NN	1908891217	VCGHNEMJBRUMFU-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CN1[C@H](C)CCS1(=O)=O)C(=O)NN	1912275407	PXQXQMWYLGRNRI-RNFRBKRXSA-N	235.309	-0.964	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914010848	LXZSJVJLSDYGFQ-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC2(CCOCC2)C1	1915590571	SRNHIEQUEFCRFG-UHFFFAOYSA-N	249.261	-0.276	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC1CCOCC1	1927916482	DYEJWQQXXDQVOE-CBAPKCEASA-N	214.265	-0.192	50	10	BBGE	
C[C@H](Br)C(=O)NCCn1cnnn1	1928857022	KMTGHWCCCMEINK-YFKPBYRVSA-N	248.084	-0.427	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@@H]2CCC[C@@H]21	1928998971	GXOKHZIEVZDEJR-SFYZADRCSA-N	211.265	-0.233	50	10	BBGE	
CO[C@H]1CCN(CC(=O)NN)C[C@H]1C	1929939082	LVEKBZRWLZMNSA-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CN(C)C[C@H](CCl)N=c1nc[nH]n1C	1930290526	ZGLJQPOSBXPAHI-ZETCQYMHSA-N	217.704	-0.182	50	10	BBGE	
COC[C@@H](NC(=O)C(C)(C)CCl)C(N)=O	1932166835	WKOXQIUZTHSKKP-ZCFIWIBFSA-N	236.699	-0.132	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(C)CC1C2	1932875856	BITHNCYFCYAGOF-ZCUBBSJVSA-N	213.281	-0.524	50	10	BBGE	
CC(C)(C)N(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936082025	CEDXUDNCJLBBLH-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@@H]1C[C@H]1C(=O)NN	1936088630	PGNQWQPFNYCQJH-LPEHRKFASA-N	227.308	-0.419	50	10	BBGE	
NNC(=O)C(=O)NCC1C[C@H]2CC[C@H](C1)C2	1937824882	ANLAPSCHCKSLHN-YUMQZZPRSA-N	225.292	-0.081	50	10	BBGE	
C[C@@H](CN1CC(C)(C)C[C@@H]1CO)C(=O)NN	1938237660	PRMOFTVOGHKYGU-DTWKUNHWSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@H](C)O1	1938246658	KFJRFEMHBJXANS-IUCAKERBSA-N	227.308	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC2(CC=CCO2)C1	1938347251	DOMDGTOYPHUHHR-VIFPVBQESA-N	225.292	-0.214	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C[C@H]1O	1939034652	XUXNOBUVKRFNPX-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
C[C@H]1CCCN(CCOCC(=O)NN)[C@H]1CO	1941771985	BXMAYCDNNZIMFD-UWVGGRQHSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)[C@@H](C2CC2)C1	1943089655	RECWKCKYQLZCNM-OINDSLJFSA-N	241.335	-0.296	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cnco1	1944175236	LDURGIVEJBTNKM-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@@H]1CCCC[C@H]1NC(=O)NCB(O)O	1951321824	IMIFXKPUIGIVIR-HTQZYQBOSA-N	214.074	-0.124	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCS(N)(=O)=O	1954240742	XBCDPNNVCMQQNF-YFKPBYRVSA-N	228.701	-0.592	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)[C@H](C)O	1954257144	IOZGQELRGDEAPM-WDSKDSINSA-N	224.351	-0.178	50	10	BBGE	
COC[C@H]1CN(C(=O)NN)CC(C)(C)O1	1974945044	ZVISTUYYMNPJMN-SSDOTTSWSA-N	217.269	-0.305	50	10	BBGE	
CC[C@@H](C)Cn1cccc(B(O)O)c1=O	1975100767	IVKKJBPIHBNNIF-MRVPVSSYSA-N	209.054	-0.426	50	10	BBGE	
N#CC1(O)CCN(c2cc(N)cnn2)CC1	1976023715	FWSWFQRPUMJNDY-UHFFFAOYSA-N	219.248	-0.086	50	10	BBGE	
O=C(NCCOCCCl)c1ncc[nH]c1=O	1979657973	MKMQPRSHXHGDKI-UHFFFAOYSA-N	245.666	-0.245	50	10	BBGE	
CC(C)(CN1CC=C(CO)CC1)C(=O)NN	1980962401	VXSXQUWTIWVDFK-UHFFFAOYSA-N	227.308	-0.373	50	10	BBGE	
COC[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@H]1C	1982501391	ZRBXGEIKWXQPAV-BBBLOLIVSA-N	229.324	-0.173	50	10	BBGE	
CC[C@H]1C[C@@H]1Cn1cc(B(O)O)ccc1=O	1984101237	JUALZVCDNPVIBQ-DTWKUNHWSA-N	221.065	-0.426	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@H](C)C(F)F	1986282384	QBXYFQCOZBEGQF-NKWVEPMBSA-N	239.266	-0.176	50	10	BBGE	
C=CC1(O)CN([C@@H](C(=O)NN)C(C)(C)C)C1	1990556675	ZSXQVYQEMVHLJH-QMMMGPOBSA-N	227.308	-0.376	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCC[C@H]1F	1990776043	FHLHOMQSFKGZBS-RKDXNWHRSA-N	231.271	-0.024	50	10	BBGE	
O=C(Cl)C=CC(=O)N(C1CNC1)C1COC1	1991648165	LQWCZSHIYYDUJS-UHFFFAOYSA-N	244.678	-0.493	50	10	BBGE	
COC1CC2(C1)CN(C[C@H]1C[C@H]1C(=O)NN)C2	1998925748	BCPYOPLELHOGCT-PSASIEDQSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1CO[C@H](CN2CCC(O)(C#N)CC2)CN1	2002297214	PEXYOSWWMAEGPK-QWRGUYRKSA-N	239.319	-0.286	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(=O)N[C@H]2CC[C@H]21	2002912000	ATVVRQNUYPPCQS-DJLDLDEBSA-N	240.307	-0.892	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)CCO1	2004916979	SFLWHUNYWCHTNL-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
COC1(CN(C)c2ncccc2B(O)O)CC1	2004933855	AHWNLQUNYCIANZ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CCC[C@H]32)c1B(O)O	2004975028	SVCRSAIHCYZIAC-DTWKUNHWSA-N	233.080	-0.546	50	10	BBGE	
CC1(C)C[C@@H]1CCn1cccc(B(O)O)c1=O	2008843757	DXSLXNVMKKSCFL-VIFPVBQESA-N	235.092	-0.036	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1[C@H](C)CC(=O)NN	2010570455	PODRHCQVPVTDQR-BDAKNGLRSA-N	242.323	-0.789	50	10	BBGE	
CN(C)NC(=O)N1C[C@@H](C(=O)O)OCC12CC2	2012199678	HCWJCPNLMVAGPE-ZETCQYMHSA-N	243.263	-0.509	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H](OC)C1	2014053863	QHRYPAIWEVSEMR-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
COC[C@@H]1C[C@@H]1CN(C)C[C@@H]1C[C@@H]1C(=O)NN	2015791152	RRTZGTVLGHZKJO-RCWTZXSCSA-N	241.335	-0.173	50	10	BBGE	
COc1nc(OCC(C)(C)F)ncc1B(O)O	2017066455	HYUIHIWREHIBJJ-UHFFFAOYSA-N	244.031	-0.708	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](C#N)CC1	2019218659	GTNQHIQUQVJVHT-JTQLQIEISA-N	238.291	-0.221	50	10	BBGE	
Cc1nc(NC(=O)CC(F)F)ncc1B(O)O	2022123562	HPMCXPYCKFPEPN-UHFFFAOYSA-N	244.994	-0.941	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1COc1ncncc1B(O)O	2022580222	UAAGDGALEPZPMB-RKDXNWHRSA-N	236.080	-0.173	50	10	BBGE	
COC[C@@H](C)COc1ncc(B(O)O)cc1F	2026075316	UZSULBXEEAQJCZ-SSDOTTSWSA-N	243.043	-0.438	50	10	BBGE	
O=C(NNCCO)c1cnn(-c2ccccc2)n1	2031837962	YNLNYEUAUHQYTD-UHFFFAOYSA-N	247.258	-0.506	50	10	BBGE	
CN(C[C@H]1C[C@H]1C1CC1)c1ncncc1B(O)O	2052467253	OMDAKSFONJJDSO-ZJUUUORDSA-N	247.107	-0.361	50	10	BBGE	
CCOc1cc(C=O)c(B(O)O)c(OC)c1	2060133749	IWNOLLKFXOKGJZ-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
O=C(O)[C@@]1(C[C@H](O)CCl)C=CCN1	2209323564	YBCWVBNAVAFPTE-XPUUQOCRSA-N	205.641	-0.041	50	10	BBGE	
CCOC[C@@H](C)OCc1nscc1B(O)O	2211138332	SWTMZYHSWNZSSQ-SSDOTTSWSA-N	245.109	-0.236	50	10	BBGE	
CN1CCC[C@@H]1COc1nc(B(O)O)cs1	2211860352	DKKKQPAPMCIAGF-SSDOTTSWSA-N	242.109	-0.704	50	10	BBGE	
NNC(=O)C1(CSC[C@@H](O)CO)CCCC1	2212447626	CWCSKUGSACHXGM-QMMMGPOBSA-N	248.348	-0.377	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)c1cc(B(O)O)ccn1	2212610241	FMHFBCDRNYBTON-SCZZXKLOSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H](C1CC1)N(C)c1cc(B(O)O)ccn1	2212610384	HXNSDYQGEFQFSL-QMMMGPOBSA-N	220.081	-0.004	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)[C@H]1CCC[C@H]1O	2212901390	UAGRIPVWWJTTNX-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@H]2C[C@H](O)[C@H]1C2	2215778088	XFUHTSOFNXDPDJ-ILAIQSSSSA-N	239.319	-0.542	50	10	BBGE	
CN(C)C[C@@H]1CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215778341	YPOUQNMHPNCHMF-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H](CC#N)N(C)c1nccc(B(O)O)c1F	2217179226	IFBMHKNNFCINPP-ZETCQYMHSA-N	237.043	-0.361	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1CCCNC1	2217180917	LSULQJMMKGMHJX-VIFPVBQESA-N	236.080	-0.860	50	10	BBGE	
CCC[C@H](CCO)Nc1cc(B(O)O)ccn1	2217196329	FIXQBDKUWQTWFV-SNVBAGLBSA-N	238.096	-0.276	50	10	BBGE	
Cc1ncncc1Nc1cc(B(O)O)ccn1	2217198917	IBINGWQNLBBDHL-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
NC[C@H](Nc1ncccc1B(O)O)C1CCCC1	2223625283	DBILOUBAUKTNEB-NSHDSACASA-N	249.123	-0.309	50	10	BBGE	
OB(O)c1ccc(O[C@H]2CCN[C@H]2C2CC2)nc1	2223652179	CLLPQONHRFFDGN-JQWIXIFHSA-N	248.091	-0.719	50	10	BBGE	
C[C@@H]1CCN(c2ncccc2B(O)O)[C@@H](CN)C1	2223665210	DQYJQJCRXWJTPC-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CCN2CCC[C@@H]12	2223667687	UQQMBDRNHNZXDP-QWRGUYRKSA-N	247.107	-0.590	50	10	BBGE	
C[C@H]1CCN(c2ccc(B(O)O)cn2)[C@@H](CN)C1	2223670874	DQRLKZSGUHOIIC-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
CCOC(=O)c1sc(C)cc1B(O)O	2241492838	GGKFSNSFEUUYHJ-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
NC1(C(=O)N[C@H]2C[C@H](Cl)C2)COC1	2241653643	KOIOYAOCBUTXKQ-IZLXSQMJSA-N	204.657	-0.400	50	10	BBGE	
C[C@H](O)CN(CC(=O)NN)C1CCC1	2242076362	RKIRUMHFLDNNPB-ZETCQYMHSA-N	201.270	-0.788	50	10	BBGE	
Cn1ccc(=NC(=O)C2(B(O)O)CCC2)[nH]1	2243346992	GIFYKXZGFIVZHG-UHFFFAOYSA-N	223.041	-0.822	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC[C@@H](F)C1	2243362380	QCYYNWITTQMZRS-DTWKUNHWSA-N	227.044	-0.354	50	10	BBGE	
O=C(N1[C@H]2CC[C@H]1COC2)C1(B(O)O)CC1	2243363324	FBOAFLLQUQTRDU-YUMQZZPRSA-N	225.053	-0.617	50	10	BBGE	
C[C@@H]1C[C@@H](N)CCN1C(=O)C1(B(O)O)CC1	2243364463	XKPRKIRPJQTVRM-SFYZADRCSA-N	226.085	-0.668	50	10	BBGE	
N[C@H]1CCCN(C(=O)C2(B(O)O)CCC2)C1	2243365246	KDJWYXDAHZGHLW-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
C=CCNC(=O)c1cccc(B(O)O)c1C	2243374908	LWGWPNHOHRHEJS-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
Cc1sc(B(O)O)cc1C(=O)N1CCOC1	2243377619	DBJSSGHJKNRYRJ-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(B(O)O)sn1	2243378705	XXDSTXQGQRSVOM-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC=C[C@H]1CF	2243395801	BXPKGRUOOFQUCC-HACHORDNSA-N	227.044	-0.024	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243396469	MNIXHFNOYMKKAL-XSPKLOCKSA-N	227.069	-0.779	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)[C@H]1C[C@H]1B(O)O	2243396708	PSFSDRRIGDMPAB-UYXSQOIJSA-N	227.069	-0.515	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCO[C@@H]12)C1(B(O)O)CC1	2243397388	AAZWEAXVTOXQKP-BWZBUEFSSA-N	225.053	-0.856	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)O1	2243399139	XHZPXAFNWVHHOS-YUMQZZPRSA-N	227.069	-0.371	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CC[C@H]1C(F)(F)F	2243399430	LYGFPLVEZVOOLF-RITPCOANSA-N	234.970	-0.541	50	10	BBGE	
C=CC(C)(C)NC(=O)c1ccoc1B(O)O	2243407564	VCZQYMZSODCVHD-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
CC(C)OCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243426638	JJWVANMTZZYIRQ-IUCAKERBSA-N	229.085	-0.267	50	10	BBGE	
C[C@@H](CF)N(C)c1ncc(F)cc1B(O)O	2244150458	CJSQALCIZYMUPM-LURJTMIESA-N	230.023	-0.305	50	10	BBGE	
COc1ccc(B(O)O)c(OCCSC)n1	2244763004	TVYAONPNMPJNPE-UHFFFAOYSA-N	243.093	-0.488	50	10	BBGE	
CC[C@@]1(NC(=O)NC(=O)CCl)CCNC1=O	2245166970	KKMIQCWVHKUFER-SECBINFHSA-N	247.682	-0.280	50	10	BBGE	
CN[C@@H](C)COc1cc(B(O)O)c(Cl)cn1	2245913839	YXTJLPSHZNCFRG-LURJTMIESA-N	244.487	-0.599	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247753023	AEVYEOWLFQYFQI-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
C=CCN(CCC)C(=O)c1occc1B(O)O	2247756607	OGMDAEWEEIPLSZ-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCCNC(=O)c1ccc(OC)cc1B(O)O	2247767882	HMHBSVGZSWTPQC-UHFFFAOYSA-N	237.064	-0.485	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1ncccc1B(O)O	2247770049	MKYALSSMBXPDGQ-IONNQARKSA-N	234.064	-0.710	50	10	BBGE	
CO[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247786502	BSZKZKUEKMFCMZ-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN2CCC1CC2	2247803475	BJFAPDOXRTTWSA-ZJUUUORDSA-N	238.096	-0.844	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2O)[C@H]1C[C@H]1B(O)O	2247809906	SJMDQJHFLPVMBY-JHFCWAQUSA-N	239.080	-0.875	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H](C)CC#N	2247853505	NAHRGCYNMXUNJN-ZCFIWIBFSA-N	236.036	-0.700	50	10	BBGE	
CC1CC(N(C)C(=O)c2coc(B(O)O)c2)C1	2247874523	RFKHQDATLWEQDF-UHFFFAOYSA-N	237.064	-0.170	50	10	BBGE	
CC(C)N(C)C[C@@H](C)NC(=O)C1(B(O)O)CC1	2247877238	DRZZBTKTXBXDMC-SECBINFHSA-N	242.128	-0.162	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1(B(O)O)CCC1	2247877411	AMEACULCOGAQLD-DJLDLDEBSA-N	239.080	-0.323	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@@H]2B(O)O)nc1C	2247896911	LXHMKQJVIWPTIP-BQBZGAKWSA-N	236.040	-0.710	50	10	BBGE	
O=C(O)[C@@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2248574066	NRPANUBJIUDNMU-ZETCQYMHSA-N	241.052	-0.637	50	10	BBGE	
O=C(O)c1cnc(NC(=O)[C@@H]2C[C@H]2B(O)O)o1	2248592805	GOUKUXSHVHUACP-QWWZWVQMSA-N	239.980	-0.826	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C(C)C	2249424662	WEKNQXLTJUOUOL-JTQLQIEISA-N	235.048	-0.653	50	10	BBGE	
O=C(C#CB(O)O)Nc1n[nH]c2ccccc12	2253335572	ULMLBVQATPUNLG-UHFFFAOYSA-N	229.004	-0.483	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CCC[C@H]21	2255452558	KQQWLZRRKBCWSC-PSASIEDQSA-N	249.075	-0.108	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1F	2255499041	YRRIKOXCEURUFP-VIFPVBQESA-N	249.050	-0.353	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ncccc2B(O)O)C1	2255516674	OSAHESZQZZXKGM-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
Nc1cccc(CCNC(=O)[C@@H]2C[C@H]2B(O)O)c1	2255568199	KEKCNCBHDMLRKW-GHMZBOCLSA-N	248.091	-0.210	50	10	BBGE	
C#CCCCCCNC(=O)c1cc(B(O)O)c[nH]1	2255670958	KOIHISHFANFMKR-UHFFFAOYSA-N	248.091	-0.382	50	10	BBGE	
C#CC1CCN(C(=O)c2cc(B(O)O)c[nH]2)CC1	2255671016	LOQOOZOGVXKHPL-UHFFFAOYSA-N	246.075	-0.820	50	10	BBGE	
C/C=C/CCCNC(=O)c1ccncc1B(O)O	2255686870	YEEQBQGMXMKQTD-NSCUHMNNSA-N	248.091	-0.153	50	10	BBGE	
C#C[C@@](C)(CC)NC(=O)c1ccc(B(O)O)cn1	2255716275	PNGDRGATXWOOHD-LBPRGKRZSA-N	246.075	-0.707	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)o1	2255723207	ZHZOAQUMLCLCLP-XAVMHZPKSA-N	249.075	-0.266	50	10	BBGE	
NNC(=O)C1(CN2CCn3cncc3C2)CCC1	2258573838	AKTGMDRKWDEXPL-UHFFFAOYSA-N	249.318	-0.141	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)C1(B(O)O)CCC1	2298367895	AMEACULCOGAQLD-VGMNWLOBSA-N	239.080	-0.323	50	10	BBGE	
NCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369991	LCEZXDIEKGMSIH-OPRDCNLKSA-N	240.112	-0.563	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1[C@@H](COC)C(=O)NN	2300046823	GTWBZFWKKWXQGB-IQJOONFLSA-N	245.323	-0.773	50	10	BBGE	
C=CC1(O)CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300400929	XGXDCRZEDRUJFB-ZJUUUORDSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H](CO)N(C)c1ccc(B(O)O)cc1C#N	2301338071	FFQPARSMAWBQKQ-QMMMGPOBSA-N	234.064	-0.945	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCN[C@@H]2CCC[C@H]21	2302885263	OEHFROQZOXGDMW-ZYUZMQFOSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C[C@@H]2C[C@@H]2CO1)N1CC[C@H](B(O)O)C1	2303105161	NUVKRXNWRWBDBR-QCLAVDOMSA-N	239.080	-0.513	50	10	BBGE	
CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](B(O)O)C1	2303124278	PUKKGEDYVBKXFL-AEJSXWLSSA-N	242.128	-0.162	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC[C@@H]2C[C@@H]2C1	2310071721	ZZOCQQSMDFSWSZ-AXFHLTTASA-N	247.103	-0.036	50	10	BBGE	
C[C@@H](CNCCCn1ccnc1)C(=O)NN	58844648	PGLQLKKCBVODRK-VIFPVBQESA-N	225.296	-0.511	50	10	BBGE	
C[C@@H](CN1CCC[C@H](N(C)C)C1)C(=O)NN	84421007	IVXHGCNDDBAPRD-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC1CC(O)C1	84453502	WEGAMZAVAQWWLG-XNWIYYODSA-N	229.324	-0.152	50	10	BBGE	
O=C(CI)NCO	116711429	BWMHODAGHCRCMK-UHFFFAOYSA-N	214.990	-0.513	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)C(C)C	131489978	AGXMMUROXJMCGL-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CO)C1	159482954	MHCSAFZGIJPUDY-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN2C(=O)CC[C@@H]2C1	168764942	DYHBEDHHVIYWOQ-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
COC(=O)CN/C=C(/C#N)C(=O)NCCCl	217236738	UPENEBLAUSRIBK-ALCCZGGFSA-N	245.666	-0.489	50	10	BBGE	
CNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NN)C(C)C	223118058	AIZVFTPXUKVWJW-DTWKUNHWSA-N	242.323	-0.789	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1N(C)C	227251415	VBCBKHRFVKJVEM-OPRDCNLKSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(CCO)CC(F)F	231592529	MTXPQVNSEOMQOC-BQBZGAKWSA-N	239.266	-0.440	50	10	BBGE	
NNC(=O)[C@H](Cc1ccccc1)C(=O)O	238555880	DYJBORQENDFVQR-QMMMGPOBSA-N	208.217	-0.080	50	10	BBGE	
Nc1cc2scc(O)c2cc1B(O)O	306968346	OGVGKXRSMNTABT-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
C[C@@H](Cl)c1cnnn1C[C@@H](O)CO	308147338	OYNQUFCBKBTZEA-PHDIDXHHSA-N	205.645	-0.069	50	10	BBGE	
CC[C@H](C)[C@H](N)C(=O)NNC(=O)C1CC1	308854531	SLQJGIKORWPZOD-XPUUQOCRSA-N	213.281	-0.083	50	10	BBGE	
CN(C)C1CN(C[C@H](Cl)C(=O)O)C1	382766643	TVQKRKVALVJJBO-ZETCQYMHSA-N	206.673	-0.076	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@H]2C[C@H]1CO2	387659630	XMQHIKAHIFUMPY-DTWKUNHWSA-N	248.286	-0.342	50	10	BBGE	
CN(C)C1CN(CCC(C)(C)C(=O)NN)C1	395604365	ZUBUCILNCMXJGL-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H](O)C[C@@H](C)C1	401696682	KHNOIRCBSFIMPP-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1CCOC1	404932483	AAHPZRGAIBWFEH-JTQLQIEISA-N	249.075	-0.981	50	10	BBGE	
CCCCC(=O)Nc1cccc(B(O)O)n1	405026959	LTOOJTNKFIIZSI-UHFFFAOYSA-N	222.053	-0.110	50	10	BBGE	
O=C1NCNN2CC[C@@H](Br)[C@@H]12	575627321	YPZPEPBPWQLZLW-UHNVWZDZSA-N	220.070	-0.584	50	10	BBGE	
OC[C@@H](NCc1ccccc1B(O)O)C1CCC1	585045926	OKUQTQRGFVWJGY-CYBMUJFWSA-N	249.119	-0.383	50	10	BBGE	
CCOCCn1nc(C)c(B(O)O)c1C	694271755	RSUBTEQPGOKLML-UHFFFAOYSA-N	212.058	-0.784	50	10	BBGE	
Cc1cccnc1Cn1ccc(B(O)O)n1	694273664	ZAACRAJOPDWNGQ-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCC2(CC2)C1	695156854	NXPXYTKSFDKQEE-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1CC(O)C1	703411612	KRBAPEURQZZTAA-DWYQZRHDSA-N	211.217	-0.574	50	10	BBGE	
C[C@@H]1CN([C@@H](C(=O)NN)C(C)(C)C)C[C@H]1CO	708094292	NNWMXUYZUBRVLO-UTLUCORTSA-N	243.351	-0.049	50	10	BBGE	
N#CC1(O)CCN(C[C@@H]2COCCC2=O)CC1	709391034	ORSVYBOUKOWALI-SNVBAGLBSA-N	238.287	-0.058	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H](CF)C2)O1	711448315	RLSVFQZHOAQMNG-BBBLOLIVSA-N	245.298	-0.185	50	10	BBGE	
C[S@](=O)N1CCc2cc(B(O)O)ccc21	712227956	JHGZQFHGDUUFQX-HNNXBMFYSA-N	225.078	-0.978	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)[C@H](C)CC(=O)NN	724143879	ZAAYJEJYDORVKE-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
O=C(NNC(=O)C1(CO)CCOCC1)C1CC1	1135308389	DABOOOGJPPWNFP-UHFFFAOYSA-N	242.275	-0.667	50	10	BBGE	
O=C(NCc1ccoc1)c1ccc(B(O)O)cc1	1142489195	NETHHOLRJFELLF-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
O=C1NC[C@H](CNS(=O)(=O)CCCl)O1	1253593857	IMTMWLYTBIGJSW-RXMQYKEDSA-N	242.684	-0.747	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1coc(CO)c1	1262177620	ASSQUNKXBSJPIM-SSDOTTSWSA-N	228.248	-0.271	50	10	BBGE	
O=C(CCl)NC[C@@]12COCCN1C(=O)OC2	1351743813	ZTELGSSEWNNSCB-VIFPVBQESA-N	248.666	-0.437	50	10	BBGE	
Cc1nocc1C(=O)NNC(=O)c1ccnnc1	1469120973	XZJPXACLWUDNFR-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CNC(=O)NNC(=O)CCc1nnc(C)o1	1542262590	PBUWPYKZOJSDDA-UHFFFAOYSA-N	227.224	-0.729	50	10	BBGE	
CS(=O)(=O)N[C@@H]1CCN(C(=O)F)C1	1882783606	HPMJSPABEWEESA-RXMQYKEDSA-N	210.230	-0.301	50	10	BBGE	
Cn1nnc(CNC[C@H]2C[C@@H]2Cl)n1	1883550057	CZPZNDLOGGEEFB-RITPCOANSA-N	201.661	-0.073	50	10	BBGE	
N#CCNC(=O)C(=O)NC1CC(Cl)C1	1884412167	MQHVDTVIXHMGLV-UHFFFAOYSA-N	215.640	-0.488	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOC[C@@H](F)C1	1887274435	XQLSLZOIAGGLBH-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
NNC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](O)C2	1888384886	FDDHVIMBGXFEOT-AXMZGBSTSA-N	203.217	-0.495	50	10	BBGE	
CN(NC(=O)c1ccco1)S(C)(=O)=O	1888592766	WNLTWBWNMYMOIA-UHFFFAOYSA-N	218.234	-0.184	50	10	BBGE	
C[C@@H](O)CCCN1CC[C@@H](B(O)O)C1	1891492760	PRJLVNIALPPKHX-RKDXNWHRSA-N	201.075	-0.304	50	10	BBGE	
CS(=O)(=O)N[C@H](CBr)C(=O)O	1892036974	WPRRQSHRHPSOSE-GSVOUGTGSA-N	246.082	-0.616	50	10	BBGE	
COC(=O)NC1CN(C[C@@H](O)CCl)C1	1893483831	XHMWASDIWMCQPT-ZETCQYMHSA-N	222.672	-0.374	50	10	BBGE	
C[C@H](O[C@@H]1CCOC[C@@H]1F)C(=O)NN	1893527532	HZVWLDBQVVQJOC-LYFYHCNISA-N	206.217	-0.492	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CO)C1	1894740202	GCQZEBSNPMGADI-KXUCPTDWSA-N	227.308	-0.683	50	10	BBGE	
N#CCCC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1900607661	PCBADTNNVBQIEU-NXEZZACHSA-N	222.292	-0.152	50	10	BBGE	
C[C@@H](N)C#CC(=O)N1CCC(O)(C#N)CC1	1902014772	SDYHUDVBTOLURE-SECBINFHSA-N	221.260	-0.786	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H](F)C2)c1F	1905025686	KANYYTXWAQDOOU-OLQVQODUSA-N	228.007	-0.187	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cnc2c(c1=O)CCC2	1905542547	CNKXANSCHPZERE-ZETCQYMHSA-N	236.275	-0.327	50	10	BBGE	
CC(C)S(=O)(=O)N(C)CCC(=O)NN	1913434475	JPHJISHSDITPPD-UHFFFAOYSA-N	223.298	-0.964	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@H]1C[C@@H]1C(=O)NN	1913476474	SPJKXDXIIQHISV-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
NNC(=O)NCCN=S1(=O)CCCC1	1913854107	NQBUSCPPQFDQIG-UHFFFAOYSA-N	220.298	-0.579	50	10	BBGE	
CCOC(=O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1917055182	UILQHEYVULETNP-VIFPVBQESA-N	237.259	-0.441	50	10	BBGE	
N#CC1(O)CCN([C@@H]2CCONC2)CC1	1934258239	PDKRQFFTBXGVER-SECBINFHSA-N	211.265	-0.370	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1CCCC1(F)F	1935841154	YQDOCQLPLUVTGZ-ZCFIWIBFSA-N	235.234	-0.082	50	10	BBGE	
CCN1CCN(CC(F)(F)C(=O)NN)CC1	1935945042	QIKRBRDQDPYKIS-UHFFFAOYSA-N	236.266	-0.751	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)C(C)(C)CO	1936079670	GFGOBFFLKUGFQF-RKDXNWHRSA-N	229.324	-0.295	50	10	BBGE	
CCCc1nccn1CCOCC(=O)NN	1936529600	MSCMGNRJZGVXDA-UHFFFAOYSA-N	226.280	-0.158	50	10	BBGE	
O=C(Cn1cncn1)N[C@@H]1CCOC[C@H]1Cl	1937145536	KTCNFNBIRHCSKG-HTQZYQBOSA-N	244.682	-0.209	50	10	BBGE	
NNC(=O)C1(CN(CCO)CC(F)F)CC1	1938249345	SWYCCQMRIXYVNA-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
CO[C@H](CN(C)C[C@@H]1C[C@@H]1C(=O)NN)C1CC1	1941085372	LNSPFMWPZIDGQZ-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCCNC(=O)CC1	1941631331	PESLNLBQNZNHMY-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@H](C)[C@H]1C(N)=O	1942615843	KZMCQDLJJCRRSD-XAVMHZPKSA-N	242.323	-0.803	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1CC1(C(=O)NN)CC1	1945882476	INELGSRXLLAYBL-VHSXEESVSA-N	240.351	-0.219	50	10	BBGE	
Cc1cc([N+](=O)[O-])nn1CC1(C(=O)NN)CC1	1945883770	FNJFRQBYCHCEFC-UHFFFAOYSA-N	239.235	-0.130	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@H]1CC[C@H](C(=O)NN)O1)C2	1947113399	VQJYBCBWSDQTEF-BTQIBKBOSA-N	239.319	-0.134	50	10	BBGE	
COC[C@](C)(CCO)NS(=O)(=O)CCl	1955202729	ZFYHXLDLXKJCEZ-ZETCQYMHSA-N	245.728	-0.110	50	10	BBGE	
CN(C1COC1)C1CN(C(=O)CCl)C1	1957030167	PWLJXWNWQGOTNF-UHFFFAOYSA-N	218.684	-0.233	50	10	BBGE	
C[C@H](Cl)CC(=O)NCCn1ncnn1	1957316517	CWTFVJYNWFAQSX-LURJTMIESA-N	217.660	-0.193	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC(C[S@@](C)=O)C1	1957671358	CXNARIFKTOTCRT-NZFNHWASSA-N	233.337	-0.935	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H]2C[C@@H]21	1961509551	TVBDVXDZJJOCFA-NTSWFWBYSA-N	221.207	-0.915	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCO[C@@H]2C[C@@H]21	1961509825	VZPASGRSMVVTCO-XSPKLOCKSA-N	211.265	-0.915	50	10	BBGE	
CC(C)CN(C)c1ccncc1B(O)O	1961696332	PIMIOWFSXNICBZ-UHFFFAOYSA-N	208.070	-0.146	50	10	BBGE	
OB(O)c1cnc(Sc2nncs2)nc1	1961722295	GMZWRWZYOORQMH-UHFFFAOYSA-N	240.078	-0.841	50	10	BBGE	
CC(CO)(CO)NC(=O)C1CC(Cl)C1	1964848526	HKDDBVZYWSNBGP-UHFFFAOYSA-N	221.684	-0.137	50	10	BBGE	
COC[C@@H](OC1CC(CF)C1)C(=O)NN	1974613301	NVNUZANGYAXMLO-KAVNDROISA-N	220.244	-0.244	50	10	BBGE	
CC1CC(CO)(N(C)[C@H](C)CC(=O)NN)C1	1978670140	QNQSYYGTSYDWAV-INWMGODYSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CC3(CC3)CO2)c1	1979361864	NPFJCPSVGGYRPQ-VIFPVBQESA-N	222.053	-0.868	50	10	BBGE	
CO[C@@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1	1980294030	REBDGZVHPFHRGL-SSDOTTSWSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](CN1Cc2cnn(C)c2C1)C(=O)NN	1980301538	GZPTVRBMEVJWDR-SSDOTTSWSA-N	223.280	-0.638	50	10	BBGE	
C[C@]1(F)CCN(c2ncc(B(O)O)cn2)C1	1981412782	XXRNBOQYSNLKLE-VIFPVBQESA-N	225.032	-0.905	50	10	BBGE	
C[C@H]1CCCN(c2ncccc2B(O)O)C1	1981423916	LDZVTAMNSNCSSY-VIFPVBQESA-N	220.081	-0.002	50	10	BBGE	
CC1(C)C[C@H]1Cn1cccc(B(O)O)c1=O	1984102755	WPWCJPBSKZEMRA-QMMMGPOBSA-N	221.065	-0.426	50	10	BBGE	
C[C@H](CN(C)C[C@H]1OCC[C@H]1F)C(=O)NN	1984337019	FUKDISCOODBKDO-IWSPIJDZSA-N	233.287	-0.329	50	10	BBGE	
COCC1CC2(C1)CN([C@H](C)C(=O)NN)C2	1987153194	CGAQGTOMHABSPG-MRVPVSSYSA-N	227.308	-0.277	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@H]1C[C@H]1C(=O)NN	1989120422	YYNLNQOEPYDEQF-HLTSFMKQSA-N	227.308	-0.542	50	10	BBGE	
OB(O)c1cnn(C[C@]23C[C@H](CCO2)C3)c1	1990121379	GLDYFFGNMALZDB-WAAGHKOSSA-N	222.053	-0.868	50	10	BBGE	
CN(C)NC(=O)NC[C@@]1(C(=O)O)CC1(F)F	1991149657	UVHJGXGOXQTSBL-SSDOTTSWSA-N	237.206	-0.128	50	10	BBGE	
O=C(O)C1=NO[C@H](C(=O)NC[C@@H]2C[C@@H]2Cl)C1	1991437813	IFHSBSVLGGRWIX-VPLCAKHXSA-N	246.650	-0.041	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CNCC[C@@H]1CO	1991652696	QIKMEWQUFJCYRE-HTQZYQBOSA-N	246.694	-0.605	50	10	BBGE	
NCC12CC(NC(=O)/C=C/C(=O)Cl)(CO1)C2	1991702973	AVNGLLLIKHCRGA-OWOJBTEDSA-N	244.678	-0.316	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1C[C@H](O)CCO1	1991714811	LQZBLHCUVBYBNX-XLNBVVSQSA-N	247.678	-0.036	50	10	BBGE	
COC[C@](C)(CN(C)[C@@H](C)C(=O)NN)OC	1992135290	MBHRGQDWBBBFPN-WPRPVWTQSA-N	233.312	-0.652	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOCCO1	1992316926	UIGRUHFEOWJZKI-MRVPVSSYSA-N	231.296	-0.345	50	10	BBGE	
O=C(CC(F)F)NCc1cc(B(O)O)cs1	1992781645	CJWZTERPCTUIFS-UHFFFAOYSA-N	249.047	-0.301	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1nnc(O)o1	1993412937	QZGLAIIDMCZKNP-VKHMYHEASA-N	248.626	-0.272	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@]1(C)CCO	1994706752	IKJNEXLBMHNWQS-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
CC(C)COC[C@@H]1CCCN1C(=O)C(=O)NN	1996849629	GFGDDNCYVPUTPJ-VIFPVBQESA-N	243.307	-0.360	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1[C@H]2CC[C@H]12	1997530720	UGXZNGHLUJYVGZ-YUMQZZPRSA-N	232.048	-0.644	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1C[C@H]1C1CC1	1998130870	PBGQXYQPFCHFAI-FXQIFTODSA-N	241.052	-0.925	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N2CCCC2=O)C1	2004407028	ISPQDDIKBODKCX-BDAKNGLRSA-N	240.307	-0.939	50	10	BBGE	
C[C@H]1CCN(c2ncncc2B(O)O)C[C@@H]1F	2004915699	BYTSGQUGKVEMHT-CBAPKCEASA-N	239.059	-0.659	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CC[C@H]2C3)nc1	2004917965	YPSDNFFYHBJBRO-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3CC[C@H]3C2)n1	2005014812	RCLHSOZWYBXCLQ-DTORHVGOSA-N	233.080	-0.689	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C1=O	2018140432	CKOIUVKRIVIKNX-CIUDSAMLSA-N	241.291	-0.893	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CN2CC(F)(F)C2)O1	2018242648	MASJNNUFFRBRSS-HTQZYQBOSA-N	249.261	-0.135	50	10	BBGE	
O=C(NCC=CB(O)O)c1ncoc1C1CC1	2020059942	RVIPKMWMFZSGGU-UHFFFAOYSA-N	236.036	-0.150	50	10	BBGE	
O=C(C[C@H]1CCCOCC1)NCC#CB(O)O	2021158032	WCRNZOVWPXKSNC-JTQLQIEISA-N	239.080	-0.675	50	10	BBGE	
C[C@H]1C[C@@]1(F)CN(C)c1ncc(B(O)O)cn1	2025753099	NYXIVYVACXQKKB-OIBJUYFYSA-N	239.059	-0.659	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2CC23CC3)c1B(O)O	2052553828	MJUAAHAWCQYFCG-VIFPVBQESA-N	247.107	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@]2(C)C[C@@H]2C)n1	2052620690	WWYVTOAYAPZRJB-UFBFGSQYSA-N	249.123	-0.053	50	10	BBGE	
COc1nc(N2C[C@H]3C[C@]3(C)C2)ncc1B(O)O	2052628305	YLSNWUMJNIATEV-RDDDGLTNSA-N	249.079	-0.989	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC1CC=CC1	2055733113	CDIVGGXCYPLJEC-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
COc1cc(Cl)cc(B(O)O)c1[N+](=O)[O-]	2060017424	VXZOXVAAXMDYFO-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
CCOc1cc(C=O)c(OC)cc1B(O)O	2060134463	ZGBYPGGZRPHNGI-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
CCOc1cc(B(O)O)cc([N+](=O)[O-])c1C#N	2060209234	CBMUINIIBLEFHF-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2[C@H]3CCC[C@H]2C3)n1	2077828495	ACULACBRZZPYPX-UWVGGRQHSA-N	247.107	-0.096	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CCC[C@H]2C[C@@H]21	2079009406	RLLHUXBSANTOPW-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
CCN(CCOC)Cc1ccc(B(O)O)s1	2211079664	VYHAHFFNRBHZAD-UHFFFAOYSA-N	243.137	-0.104	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1O[C@H]2C=C[C@H]1C2	2211838044	BLTQWFGGDWKMOJ-KATARQTJSA-N	223.276	-0.053	50	10	BBGE	
C[C@H](COc1ccc(B(O)O)cn1)[C@@H](C)N	2212609895	ZCDWAMGMKPHZQK-HTQZYQBOSA-N	224.069	-0.877	50	10	BBGE	
CN(C[C@@H]1CCOC1)C[C@@H]1CC[C@@H]1C(=O)NN	2215770294	ATRUDENBESPVTA-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](O)C12CCC2	2215773124	RJWANOQIRLBMNE-OPRDCNLKSA-N	239.319	-0.398	50	10	BBGE	
C[C@@H](O)C1CN(CC2(C(=O)NN)CCCC2)C1	2216874990	VGGMRIHCJYJFTD-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)c1cn[nH]c1	2217178510	WUQWAWJOPWBNQZ-ZETCQYMHSA-N	232.052	-0.342	50	10	BBGE	
OB(O)c1ccc(=NCCOC2CCC2)[nH]c1	2217201424	DRHCOPJIIUJPJS-UHFFFAOYSA-N	236.080	-0.836	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)C1CCNCC1	2223633318	VFQNEYOJQIBXFP-SECBINFHSA-N	249.123	-0.439	50	10	BBGE	
C[C@H](CN1CCCC1)Nc1cc(B(O)O)ccn1	2223635948	DEETUPHXIUTYER-SNVBAGLBSA-N	249.123	-0.342	50	10	BBGE	
Cn1c(O)cc(=O)n(CCCl)c1=O	2241380032	VPOFAETUNKPPNZ-UHFFFAOYSA-N	204.613	-0.509	50	10	BBGE	
CN(CCF)C(=O)[C@H]1C[C@H](B(O)O)C1	2241479017	PTXDGNDDNCGEGA-LJGSYFOKSA-N	203.022	-0.333	50	10	BBGE	
C=C(F)CN(C)C(=O)C1(B(O)O)CC1	2241480602	KCLSNQCEFOSJSE-UHFFFAOYSA-N	201.006	-0.065	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(Cl)CC1	2241907568	PGUOFXRSGATECD-UHFFFAOYSA-N	215.445	-0.721	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@@H]2C)n1	2243084354	BXDCKFDLFRHGCO-ZETCQYMHSA-N	222.053	-0.631	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@H]2C[C@H]21	2243358059	BHCRWPSRVQMKIJ-NTSWFWBYSA-N	238.077	-0.943	50	10	BBGE	
O=C(NC[C@H]1[C@@H]2COC[C@H]12)C1(B(O)O)CC1	2243359088	OPNJDQBFKXVZMT-WHUPJOBBSA-N	225.053	-0.998	50	10	BBGE	
CCONC(=O)c1ccc(C)cc1B(O)O	2243366976	LKOYWEBGPBJWKC-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
O=C(Nc1ncccn1)C1CC(B(O)O)C1	2243390706	AARQPIXKAUNMDM-UHFFFAOYSA-N	221.025	-0.332	50	10	BBGE	
Cc1nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)cs1	2243395934	FANVQPXFQPSMOL-YUMQZZPRSA-N	240.093	-0.069	50	10	BBGE	
CNCCCCN(C)C(=O)[C@H]1C[C@H]1B(O)O	2243396135	IBQASAOFKUPPLX-DTWKUNHWSA-N	228.101	-0.693	50	10	BBGE	
CC[C@](C)(COC)NC(=O)C1(B(O)O)CC1	2243408835	WEKZJVDLDIIOJI-SECBINFHSA-N	229.085	-0.075	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)N1	2243408983	YQTUOJCQPHNZPB-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
N[C@H]1CC[C@H](CNC(=O)C2(B(O)O)CC2)C1	2243409679	MROAUKRMQVRHAO-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1ncc(B(O)O)s1	2243713678	ZDBMBNCBHYXINM-ZCFIWIBFSA-N	238.077	-0.579	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)[C@H]1C[C@@H]1B(O)O	2243769524	VBBQXABQFFWRNY-ACZMJKKPSA-N	229.041	-0.781	50	10	BBGE	
NC1(CNc2cc(B(O)O)c(Cl)cn2)CC1	2245912991	KLBBOTUIVYJANX-UHFFFAOYSA-N	241.487	-0.682	50	10	BBGE	
CC(C)(CCO)Sc1ncc(B(O)O)cn1	2245954692	SVUOISVDXIMJNL-UHFFFAOYSA-N	242.109	-0.591	50	10	BBGE	
CC(C)C1CN(C(=O)c2coc(B(O)O)c2)C1	2247733836	DESWKJGAFNBXIW-UHFFFAOYSA-N	237.064	-0.313	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	2247737907	LOIWNQVQFQERBK-VLEAKVRGSA-N	233.076	-0.494	50	10	BBGE	
O=C(N1CCC2(CC1)COC2)C1(B(O)O)CC1	2247749919	BRAUREGAURCISJ-UHFFFAOYSA-N	239.080	-0.368	50	10	BBGE	
O=C(N1C[C@H](O)C2(CCC2)C1)C1(B(O)O)CC1	2247751381	WXTXQVOBQDQLAT-QMMMGPOBSA-N	239.080	-0.633	50	10	BBGE	
CN1CCCC12CN(C(=O)C1(B(O)O)CC1)C2	2247753933	KLDGRORESAXTJC-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
CCN1CCCN(C(=O)C2(B(O)O)CC2)CC1	2247756062	LXJDAFIHBAIIEN-UHFFFAOYSA-N	240.112	-0.452	50	10	BBGE	
CCn1ccnc1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247793372	XJXDJMYRMQPVLK-SFYZADRCSA-N	237.068	-0.618	50	10	BBGE	
Cc1nc[nH]c1CCNC(=O)[C@H]1C[C@@H]1B(O)O	2247797130	GJQYRVLYJRMJQS-YUMQZZPRSA-N	237.068	-0.760	50	10	BBGE	
COc1cc(NC(=O)C#CB(O)O)ccc1C	2247850614	QPEKDDINFCSFBN-UHFFFAOYSA-N	233.032	-0.042	50	10	BBGE	
C=CCN(C(=O)c1ccc(B(O)O)o1)C1CC1	2247851332	YBVDVPPKPKMDEY-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
O=C(Nc1ccncn1)c1coc(B(O)O)c1	2247854303	ASSPJPZSPVBORH-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC(C)N(C)C(=O)c1c(F)cccc1B(O)O	2247874878	QPDQWNISIAFNOY-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
C[C@H]1C[C@H](N)CN(C(=O)C2CC(B(O)O)C2)C1	2247909152	FWQWQICCNZADOD-NFTFJBJSSA-N	240.112	-0.565	50	10	BBGE	
CC[C@H]1C[C@@]1(NC(=O)C1(B(O)O)CC1)C(=O)O	2248575101	DYLNOTRWLXPKPU-WKEGUHRASA-N	241.052	-0.637	50	10	BBGE	
Cc1ccn(NC(=O)c2cocc2B(O)O)c1	2249410233	MSTJITISRCIYBO-UHFFFAOYSA-N	234.020	-0.547	50	10	BBGE	
C[C@H](CC1CC1)NC(=O)c1cc(B(O)O)co1	2249427702	KCVAJYMPZBAYNW-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
C[C@@]1(CNC(=O)C2(B(O)O)CC2)CCC[C@H]1O	2249861618	LRZRGKMOYGMHGP-SCZZXKLOSA-N	241.096	-0.339	50	10	BBGE	
CCCNC[C@@H](C)Oc1ncccc1B(O)O	2250572697	AUMPCDUAWHAYEG-SECBINFHSA-N	238.096	-0.472	50	10	BBGE	
C#CCC(=O)NCc1ccc(C)c(B(O)O)c1	2253234750	HFLHFHKCTRNRHF-UHFFFAOYSA-N	231.060	-0.686	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)o1)c1ncc[nH]1	2255467744	RDCMCGJKJRENJF-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N[C@H]2CC2(C)C)n1	2255487396	OLTOBEKMMPBTHD-VIFPVBQESA-N	248.091	-0.402	50	10	BBGE	
NCc1ccccc1CNC(=O)[C@@H]1C[C@H]1B(O)O	2255572492	YZCNBAPQGVVIMA-GHMZBOCLSA-N	248.091	-0.376	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1c[nH]nc1B(O)O	2255582400	GJWAKTOUBCSYCC-QXUHLLMWSA-N	249.079	-0.992	50	10	BBGE	
Cn1ccnc1[C@H](NC(=O)C#CB(O)O)C1CC1	2255671305	PJSZDPWHDJGDST-SNVBAGLBSA-N	247.063	-0.997	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NC[C@H](C)C#N	2255721113	YMNBQZUHDUBRMI-MRVPVSSYSA-N	249.079	-0.923	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(B(O)O)cn1CC	2255730083	GHLZRGXGQMUAOG-SECBINFHSA-N	248.091	-0.506	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H](C)C#N)c1	2255736226	JDNARJFGKHYKSH-VIFPVBQESA-N	246.075	-0.436	50	10	BBGE	
Cn1cc(C2CN(C(=O)[C@H]3C[C@@H]3B(O)O)C2)cn1	2255765715	UDHZDVNTMRMKPK-UWVGGRQHSA-N	249.079	-0.791	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@]1(C)C[C@H]1C	2257494766	OOVFUFFVXRUACW-PRHODGIISA-N	248.091	-0.402	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1cocc1B(O)O	2258131143	QNCYKLLESSRVHV-OIBJUYFYSA-N	248.047	-0.619	50	10	BBGE	
NNC(=O)CCN1Cc2ccccc2C[C@H]1CO	2264205193	OEPFQNODUZDUPC-LBPRGKRZSA-N	249.314	-0.214	50	10	BBGE	
CC[C@H](O)C(=O)Nc1cc(C)cc(B(O)O)c1	2301584750	CAORAGFSMZYDGW-JTQLQIEISA-N	237.064	-0.616	50	10	BBGE	
C[C@H](COCc1nnn2c1CCC2)C(=O)NN	2301606858	YXVKAKCWYANDRP-SSDOTTSWSA-N	239.279	-0.633	50	10	BBGE	
O=c1ccccn1CCN1CC[C@H](B(O)O)C1	2303097413	BAJKHQDWJLPDBG-JTQLQIEISA-N	236.080	-0.603	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(B(O)O)C1	2303110814	DGQOUXIMKVQHIC-NGZCFLSTSA-N	241.096	-0.266	50	10	BBGE	
CC[C@](C)(CN1CC([C@@H](F)CO)C1)C(=O)NN	2303410730	PBWSBYHXUQSACE-GXSJLCMTSA-N	247.314	-0.345	50	10	BBGE	
CC[C@@](C)(CN1C[C@H]2C[C@H](O)[C@H]1C2)C(=O)NN	2303425773	GSQWHQUGMCBOKY-SVDPJWKOSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1CN(c2cc(B(O)O)c(F)cn2)C[C@@H]1C	2303834366	DWDOTXLRVQKOSS-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
C=CC[C@@H](N)COc1cc(B(O)O)c(F)cn1	2303862039	VSUQFEGQCYPTKP-SSDOTTSWSA-N	240.043	-0.817	50	10	BBGE	
CNCC[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317164689	CMQRXTYGJITBAR-SECBINFHSA-N	247.107	-0.352	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1C=CCOC1	2317209299	PYUIEYBQIJBKJE-LLVKDONJSA-N	245.043	-0.428	50	10	BBGE	
O=C(CCl)NC(=O)NCC(=O)NC1CC1	36782745	ICMHOQCLSJKVAU-UHFFFAOYSA-N	233.655	-0.670	50	10	BBGE	
CC(C)n1nnn(C(=O)CCl)c1=O	39055407	IANBYFZBKUEOPU-UHFFFAOYSA-N	204.617	-0.100	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccc(C(=O)N(C)C)n1	85196543	XUEWUMYUWFQRJX-ZETCQYMHSA-N	239.279	-0.474	50	10	BBGE	
O[C@@H]1CO[C@@H]2[C@@H](Br)CO[C@@H]21	148328939	CYDSHUXBYGPGJA-SLPGGIOYSA-N	209.039	-0.092	50	10	BBGE	
O=S1(=O)CCCN1C[C@@H](O)CCl	156252978	RZCFVFFKPAMPCC-LURJTMIESA-N	213.686	-0.378	50	10	BBGE	
CCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O	169954436	LVJQJXNVLIWBJD-YUMQZZPRSA-N	214.074	-0.883	50	10	BBGE	
COCCCN(C)Cc1cccc(B(O)O)c1	198846195	JYSLRSPNJGTZBH-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
C[C@@H]1CN(Cc2ccc(B(O)O)cc2)CCCO1	203132491	PLHHNWAPTFRUBY-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\N(C)CCO	217183278	BCJVACBAIYPZLH-CLFYSBASSA-N	211.265	-0.157	50	10	BBGE	
Cn1cc(B(O)O)c(Oc2ccccc2)n1	219666794	AGNXLFRKDZGYMJ-UHFFFAOYSA-N	218.021	-0.108	50	10	BBGE	
C[C@H](Cl)c1nnc(N2C[C@H](O)[C@@H](O)C2)o1	235495939	CEVCYDDVFIFUSS-ZLUOBGJFSA-N	233.655	-0.089	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCCN1CCC(=O)NN	304544169	LHUVIIZGGKKGKW-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
COCCOc1cc(B(O)O)cc(F)c1F	309490738	ZSYCUULLMAOZRI-UHFFFAOYSA-N	231.991	-0.330	50	10	BBGE	
CCN(Cc1ccccc1B(O)O)[C@@H]1CCOC1	310990993	LFVQBGPYMQCDPC-GFCCVEGCSA-N	249.119	-0.023	50	10	BBGE	
N#CCCc1ccc(CO)cc1B(O)O	396041299	OFIIHPZHELYTTJ-UHFFFAOYSA-N	205.022	-0.685	50	10	BBGE	
O=C(CCl)Cc1cc(CO)cc(B(O)O)c1	396057770	MPGGAQWJMQAXOQ-UHFFFAOYSA-N	242.467	-0.791	50	10	BBGE	
COC(=O)CCc1ccc(B(O)O)cc1S	396131424	IEULLDMQUAHCBD-UHFFFAOYSA-N	240.089	-0.239	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](C)C[C@@H](CO)C1	398851312	VGOHLHLGPSLFHI-MXWKQRLJSA-N	243.351	-0.049	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C2CC2)C[C@@H]1C	402803475	YFCZTXPLFYLOAJ-UWVGGRQHSA-N	240.351	-0.077	50	10	BBGE	
CC1(C(=O)Nc2cccc(B(O)O)n2)CC1	404930841	DEQZQGDXRALMMT-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CN1NC(Br)=C=C1/C=C/B(O)O	642870467	IAZUAKOIONFLHQ-NSCUHMNNSA-N	230.858	-0.276	50	10	BBGE	
CN1CCC(=O)N(C[C@@H](O)CCl)C1=O	689024354	BCOLHFSLKIXZBS-LURJTMIESA-N	220.656	-0.130	50	10	BBGE	
CC(C)(C)N(CCCO)CC(=O)NN	690127447	YCLSYASWQLEHIF-UHFFFAOYSA-N	203.286	-0.541	50	10	BBGE	
Cc1c(COc2ccccc2B(O)O)cnn1C	690807395	QOITZCTVFJFFQX-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1[C@H]2CC[C@H]1COC2	695048428	HTMZHSQTYABVPY-JXUBOQSCSA-N	227.308	-0.136	50	10	BBGE	
Cn1nnc(C(=O)NC/C=C/CCl)n1	697200967	LRYIAUQTFPXUSP-NSCUHMNNSA-N	215.644	-0.265	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CCO[C@]2(C(=O)O)C1	704992562	DQVVWDUUFBUGNP-GMSGAONNSA-N	243.263	-0.652	50	10	BBGE	
C[C@H]1COC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	705217313	NXZCLJIAYINGGV-GZMMTYOYSA-N	249.075	-0.413	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCCN(C)C1)C(=O)NN	705223134	NXOYYXHDGLGKIF-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
C[C@@H](CN1CCC[C@H]1C(C)(C)O)C(=O)NN	707557824	LDCRUZJUQQCYGA-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cccc(OC[C@H]2COCCO2)c1	708522568	LAJLPMSQKMXJSN-LLVKDONJSA-N	238.048	-0.839	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719155893	SMTTYWIPRUZDLG-HGNGGELXSA-N	227.308	-0.400	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)CC(=O)NN)CCO1	721476373	AFZJMHOKROLVFP-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CN(C)C(=O)[C@H](Cl)c1nnn(C)n1	725596825	LXQULHNAFACTDQ-SCSAIBSYSA-N	203.633	-0.422	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H]1CCN(C)C1	732911713	GOPUZTPMPBLTRY-ZETCQYMHSA-N	214.269	-0.712	50	10	BBGE	
CCNC(=O)N(C)NC(=O)C1CC(C)(O)C1	827691515	YCABRENXHFXHHM-UHFFFAOYSA-N	229.280	-0.160	50	10	BBGE	
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NN	844193098	JUEGLGWDHHERFL-SECBINFHSA-N	236.275	-0.174	50	10	BBGE	
O=C(NNC(=O)c1ccoc1)N[C@@H]1CCNC1	861704877	KATRCOBFRPQXHZ-MRVPVSSYSA-N	238.247	-0.415	50	10	BBGE	
Cc1nnc(NNC(=O)c2cocn2)n1C	1118941998	NRKFWHCPDCNFRS-UHFFFAOYSA-N	222.208	-0.132	50	10	BBGE	
CC(=O)NNC(=O)c1cc2n(n1)CCC[C@@H]2O	1290391561	GHTBBSIWUBIROY-VIFPVBQESA-N	238.247	-0.509	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1cccnn1	1329025789	ACWZSNMLXKWEQH-UHFFFAOYSA-N	223.236	-0.217	50	10	BBGE	
C#CCCNC(=O)NNC(=O)c1cnsn1	1333632255	WZOJRUMMZZZFTC-UHFFFAOYSA-N	239.260	-0.495	50	10	BBGE	
NC(=O)C(=O)NN=C[C@@H]1CCCOCC1	1347988292	QFJBETUVQHBJFT-SSDOTTSWSA-N	213.237	-0.610	50	10	BBGE	
C=C(Cl)CNC(=O)c1ccc(B(O)O)cc1	1465283811	NGGUVMTWBINYLZ-UHFFFAOYSA-N	239.467	-0.151	50	10	BBGE	
N=C(CNC(=O)[C@@H]1C[C@@H]1Br)NO	1877404720	MUKVIFBDJTUXBO-DMTCNVIQSA-N	236.069	-0.158	50	10	BBGE	
CN(N)C(=O)COCCNC(=O)OC(C)(C)C	1880022938	IEDQJLMDDIXXRX-UHFFFAOYSA-N	247.295	-0.140	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1[C@@H]2CCO[C@H]21	1881721959	RSSOZHDYIUOWLS-RRKCRQDMSA-N	225.697	-0.068	50	10	BBGE	
N[C@@H]1CC(C(=O)NCC(Cl)Cl)=C[C@H]1O	1887268358	GITWKURMKMSKMQ-PHDIDXHHSA-N	239.102	-0.075	50	10	BBGE	
CC1CN(Cc2nc(B(O)O)cs2)C1	1891796462	OGGQJUZMVFPLDF-UHFFFAOYSA-N	212.083	-0.725	50	10	BBGE	
CC(C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	1895662254	MJQZWPMHSJAAJS-CIUDSAMLSA-N	227.308	-0.542	50	10	BBGE	
CC[C@H](C)CNC(=O)c1cnsc1B(O)O	1900466162	BUQWXKLYWGYFMW-LURJTMIESA-N	242.109	-0.401	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@H]1CC[C@H](C)N1	1901376724	FCVKNSVMKRUDSR-JGVFFNPUSA-N	249.336	-0.560	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@](C)(B(O)O)C2)C1	1902551730	SQONWTJKNNRPKJ-MNOVXSKESA-N	226.129	-0.123	50	10	BBGE	
C[C@@]1(OCc2nc(B(O)O)cs2)CCOC1	1902658596	QCPBSNBRSOZTHL-SECBINFHSA-N	243.093	-0.482	50	10	BBGE	
C[C@@H]1C[C@H]1CCC(=O)N[C@@H](CB(O)O)C(=O)O	1910147499	MPRVGZQEKSNGMZ-PRJMDXOYSA-N	243.068	-0.535	50	10	BBGE	
CCOC(=O)C(C#N)=C1C=C(NN)NC=N1	1911849320	CZPZSOMWUBJWGY-UHFFFAOYSA-N	221.220	-0.737	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@@H](C)C(=O)NN	1912229465	RHIXNWSNSDIAHZ-SSDOTTSWSA-N	234.259	-0.346	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(=O)N(C)[C@H](C)C1	1926006524	QMNKKHVSLLJFPC-HRDYMLBCSA-N	242.323	-0.837	50	10	BBGE	
CCN(C[C@@H](C)O)CC(F)(F)C(=O)NN	1927816097	HRZCOPQALATMIT-ZCFIWIBFSA-N	225.239	-0.686	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(F)(F)C(=O)NN)C1	1927817186	YPFFWWLLEPNGTN-RXMQYKEDSA-N	221.207	-0.520	50	10	BBGE	
C[C@H](C(N)=O)N1C[C@](C)(CCl)C1=O	1931734019	UFNYPMYNFOXNMD-XRGYYRRGSA-N	204.657	-0.053	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C(F)(F)C12CC2	1931747014	QGDNMCHKPTUJPA-BYPYZUCNSA-N	204.969	-0.840	50	10	BBGE	
NNC(=O)N1CCn2ncc(Cl)c2C1	1933342658	QRDPKDPZQKBUED-UHFFFAOYSA-N	215.644	-0.065	50	10	BBGE	
CC(=O)N(C)Cc1sccc1B(O)O	1935214590	UMEYOLABQYSALB-UHFFFAOYSA-N	213.067	-0.594	50	10	BBGE	
CCN(C[C@@H](C)OC)CC(F)(F)C(=O)NN	1935941860	LMKKWLCIDZGNAY-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)[C@H](F)C1	1936025951	HYKXQVADNZXLOK-MAUMQABQSA-N	233.287	-0.594	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)C1CCOCC1	1937709292	SFSBNMYBDRSASJ-ZETCQYMHSA-N	247.320	-0.708	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@]2(CCO2)C1	1938677970	YQPCEMUJKLTFEL-ATZCPNFKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)CN(CCO)[C@H](C)[C@H](C)C(=O)NN	1939257530	KMWFVLASZZZTNC-VHSXEESVSA-N	231.340	-0.049	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](CO)C[C@@H]1C	1939637519	HEKNRFRJEANDKY-AATLWQCWSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCN2CCC[C@H]2C1	1940886918	HAGNSULFWUXYJJ-QMMMGPOBSA-N	248.277	-0.608	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@]1(C)CO	1941088557	GJDRVMQLBMRKTM-KLBPJQLPSA-N	241.335	-0.437	50	10	BBGE	
CCN1CC[C@H](N(C)CCOCC(=O)NN)C1	1941772856	OOPBZJQXZFBTHY-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H](O)[C@H](C2CC2)C1	1943083700	PDLZQQOKYPSOAD-VLEAKVRGSA-N	239.319	-0.685	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N(C)[C@@H](C)CC(N)=O	1946076904	WFAVXJDLRJHORJ-IUCAKERBSA-N	244.339	-0.413	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C[C@@H]1F	1947334925	OOTGZJSAVSKDJQ-KATARQTJSA-N	245.298	-0.186	50	10	BBGE	
OCCOCCN1CCN(CCCl)CC1	1960163858	OZJNVUXRNPAUBA-UHFFFAOYSA-N	236.743	-0.148	50	10	BBGE	
O=C1NC[C@H]2CN(C[C@@H](O)CCl)CCN12	1960164206	SKEXWYVFNAQGMT-YUMQZZPRSA-N	233.699	-0.705	50	10	BBGE	
O=C(O)[C@H](Cl)CN1CC(n2cnnc2)C1	1961265884	VAKNXMGQXZIUFE-SSDOTTSWSA-N	230.655	-0.173	50	10	BBGE	
O=C1[C@@H]2CCCN2CCN1C[C@H](O)CCl	1961456521	SAXIVIIHAWCKGL-BDAKNGLRSA-N	232.711	-0.107	50	10	BBGE	
OB(O)c1cnccc1OC1CC=CC1	1961711406	DCAMTBSFLIDKJR-UHFFFAOYSA-N	205.022	-0.141	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1961774018	MKIJNMCUYVBNPJ-UUBZBTQISA-N	213.281	-0.933	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H](O)C1CCCC1	1979849680	QPEODBKIISRPFR-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1csc(N2C[C@H]3OCC[C@@H]3C2)n1	1981469547	UUCVAAAMGFKXSL-RNFRBKRXSA-N	240.093	-0.952	50	10	BBGE	
CCN(c1nc(B(O)O)cs1)[C@H]1CCOC1	1981470982	FTVUEOCKLZTABX-ZETCQYMHSA-N	242.109	-0.562	50	10	BBGE	
COC1CC(N(C)c2nc(B(O)O)cs2)C1	1981472641	SFABWFRMQSWDNX-UHFFFAOYSA-N	242.109	-0.564	50	10	BBGE	
OB(O)c1ccn(C[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)n1	1989163916	IWSHZYFWRULOOW-LALMQGGXSA-N	218.065	-0.535	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C)[C@@](C)(O)C1	1989512460	VCSXYPOCWXGIPE-KKZNHRDASA-N	229.324	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	1990772407	JLEIRXWWHPRMID-KATARQTJSA-N	223.276	-0.506	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCO1	1990773797	ABCOLANUROIVCF-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
C[C@@]1(C(F)F)C[C@H]1C(=O)NCC#CB(O)O	1992138490	JCWGJALTPLMECN-IMTBSYHQSA-N	231.007	-0.591	50	10	BBGE	
OB(O)c1ccc(N2[C@H]3CCC[C@H]2C3)nc1	1992321581	CQXQCHAOSQWMPY-UWVGGRQHSA-N	218.065	-0.107	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1ccc(B(O)O)cn1	1998447355	DYKDMLUWJOPPJU-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
COc1cc(CN(C)CCC(=O)NN)ccn1	2002021319	NJBIVQPQIBRXCT-UHFFFAOYSA-N	238.291	-0.098	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)c2ccc(B(O)O)cn2)C1	2004917224	VXVBHNJBRHMHHV-AOOOYVTPSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1COCCCN1c1ncccc1B(O)O	2004934994	KCBDBGWQCUERJH-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CO[C@@H](COc1ccncc1B(O)O)C(C)C	2004950024	ACFXXYQXLFJGQS-NSHDSACASA-N	239.080	-0.189	50	10	BBGE	
OB(O)c1cnccc1OCCOCC1CC1	2004951516	NAQBIWXDXONZOH-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC[C@@H]2C)n1	2005015236	XSBFSPIZTHUVLS-QMMMGPOBSA-N	235.096	-0.156	50	10	BBGE	
CC(C)OCCCn1cccc(B(O)O)c1=O	2008839722	BCLAJDYVEWUVRM-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@](C)(C#N)C1	2019218466	GAOYDQGXJYVBNW-LLVKDONJSA-N	238.291	-0.221	50	10	BBGE	
CO[C@H]1C[C@@H]1COCc1ccc(B(O)O)cc1	2022713618	ZUDQZFWHEHRSDK-PWSUYJOCSA-N	236.076	-0.082	50	10	BBGE	
OB(O)c1cccc(OCCN2CC3CC2C3)c1	2034312845	FKUYNTHHIYAONL-UHFFFAOYSA-N	247.103	-0.161	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C3CCC2CC3)n1	2052619137	BDRAOWASGHVMLM-UHFFFAOYSA-N	247.107	-0.096	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H](CO)CC1CC1	2210716669	LWEMCAAXWQFEFL-ZJUUUORDSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](O)C(C)(C)Nc1cc(B(O)O)ccn1	2212602281	BIMNOUZLNMMNPG-ZETCQYMHSA-N	224.069	-0.667	50	10	BBGE	
CC[C@H](Nc1ncc(B(O)O)cn1)C(F)F	2212605067	XBAZNJPZODEBDY-LURJTMIESA-N	231.011	-0.388	50	10	BBGE	
CN1CCC[C@@H]1COc1ccc(B(O)O)cn1	2215844648	RNZJWOHOJOJNQC-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C(C)(C)CCO	2217175010	BVEBQVZDPABRML-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
NCC1(Oc2cc(B(O)O)ccn2)CCCC1	2217189512	FFPSQIGSIZPWRD-UHFFFAOYSA-N	236.080	-0.588	50	10	BBGE	
CCOC1(CNc2ncc(B(O)O)cn2)CC1	2217200216	ROHOHQKUSVDIHO-UHFFFAOYSA-N	237.068	-0.863	50	10	BBGE	
NNC(=O)CCN1[C@H](CO)C[C@H]2CCCC[C@@H]21	2217336428	DOZZCNAWQQCCBG-VWYCJHECSA-N	241.335	-0.008	50	10	BBGE	
CC(F)(F)CCCn1cc(B(O)O)cnc1=O	2217410531	HRGYKNIKXQGWAB-UHFFFAOYSA-N	246.022	-0.642	50	10	BBGE	
OB(O)c1ccnc(N2CCC23CCNCC3)c1	2223635222	UJMZGSROPHNLAJ-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
C[C@@]12CC[C@@](Nc3ncc(B(O)O)cn3)(CO1)C2	2223671500	MTSNEOZRFJBXTH-QWRGUYRKSA-N	249.079	-0.720	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)C1(B(O)O)CCC1	2241481755	VEVBULXOQOOHMJ-PHDIDXHHSA-N	201.006	-0.390	50	10	BBGE	
CC[C@@H](Cl)C(=O)n1c(O)cc(=O)n(C)c1=O	2243048510	MSLAXCFFJIMUOD-RXMQYKEDSA-N	246.650	-0.090	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)s1	2243357333	VDLKHAILVFOIOB-RQJHMYQMSA-N	239.105	-0.092	50	10	BBGE	
C#CC1CN(C(=O)c2sccc2B(O)O)C1	2243376491	KSBISYAZUHFOSC-UHFFFAOYSA-N	235.073	-0.867	50	10	BBGE	
Cc1ccc(C(=O)NC(C)C)c(B(O)O)c1	2243397660	GWYFECASFQPZKK-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ncsc1B(O)O	2243408154	IEOSVYLSEUKDPG-RXMQYKEDSA-N	242.065	-0.941	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2243415128	OOPIGNOPOWTKFW-JBDRJPRFSA-N	227.069	-0.874	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2243416109	HBZDRDJCEDYNQB-HXFLIBJXSA-N	227.069	-0.874	50	10	BBGE	
C=C(CS(=O)(=O)N1O[C@H]2CC[C@H]1C2)B(O)O	2243419976	KBZPOYWXJOFDNH-YUMQZZPRSA-N	247.081	-0.947	50	10	BBGE	
O=C(NCCC#CB(O)O)c1ccccc1	2244556233	YIWUSEFELJAACY-UHFFFAOYSA-N	217.033	-0.178	50	10	BBGE	
CC1(C)C[C@H](C(F)F)CN1C(=O)C#CB(O)O	2247744590	VEIHBSJJMHEKSC-ZETCQYMHSA-N	245.034	-0.106	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CC[C@H]2[C@H]1C2(F)F	2247744779	YBRQHTUXVNALRM-LKEWCRSYSA-N	243.018	-0.496	50	10	BBGE	
CCC(=O)NCCCNC(=O)C1(B(O)O)CC1	2247759300	ZXBBBMNPXFNYEN-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCC[C@@H]1CCO	2247786924	IPCSONLEMRCHMU-KXUCPTDWSA-N	241.096	-0.387	50	10	BBGE	
CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787313	NHSADCVZWDNYKL-KXUCPTDWSA-N	240.112	-0.550	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H](O)C1)[C@H]1C[C@@H](B(O)O)C1	2247787997	XRXUAOMYCIYKMF-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H](C)CO1	2247797894	OEPOKVNUYNDAKR-XHHQTKHESA-N	241.096	-0.125	50	10	BBGE	
Cc1noc(C)c1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247809451	ZLVLDYOPBPIYHR-APPZFPTMSA-N	238.052	-0.229	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCc2nc[nH]c2C1	2247809656	QJNQRVCHDFGIFF-RQJHMYQMSA-N	235.052	-0.843	50	10	BBGE	
CC1(C)CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2247847454	XMPQBIAWSOMBNQ-UHFFFAOYSA-N	236.080	-0.387	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)C#CB(O)O)CC12CCC2	2247847855	CJLSEFLJTMZOJF-WCBMZHEXSA-N	237.064	-0.924	50	10	BBGE	
CCc1cc(CNC(=O)C2(B(O)O)CC2)on1	2247855722	XENMWKAOOLANJK-UHFFFAOYSA-N	238.052	-0.140	50	10	BBGE	
CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895210	QBKVWLQCIJPGMA-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1(C)C	2247896938	MCCLQECUSXOKAS-RYPBNFRJSA-N	241.096	-0.221	50	10	BBGE	
Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@H]1B(O)O	2247897830	XGTCWOAWZXUGRJ-HTQZYQBOSA-N	237.068	-0.162	50	10	BBGE	
C[C@H]1C[C@H](O)[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247898792	HSERVLJOYFCQQO-KGDYZURWSA-N	241.096	-0.533	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C[C@@H](C)N1	2247909557	KMPIJHRAMSXILA-YNFQOJQRSA-N	240.112	-0.552	50	10	BBGE	
CC[C@@](C)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248577424	MUDRNMVBGARSEV-BRDIYROLSA-N	243.068	-0.391	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)co2)C=CCC1	2249408927	RPGNNAYAQZJWNJ-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
NC[C@@H]1CC(F)(F)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2253344737	YNWIZQPLFLXNJB-ACZMJKKPSA-N	248.038	-0.956	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2ccncc2B(O)O)C1	2255455523	ALJUDFBKMFKXHD-SECBINFHSA-N	248.091	-0.367	50	10	BBGE	
CC1=C(C)CN(C(=O)c2cc(B(O)O)cn2C)C1	2255508956	PGPHFFPUTFDDBG-UHFFFAOYSA-N	248.091	-0.503	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1cncc(B(O)O)c1	2255521359	VWAXEKBHRFEUGU-VIFPVBQESA-N	246.075	-0.709	50	10	BBGE	
C#C[C@H](C)NC(=O)c1c(OC)cccc1B(O)O	2255565165	GSSLGXPPXXVLLD-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
Cc1ccnc(C(=O)N[C@@H](C)C2CC2)c1B(O)O	2255577053	OTNUQHGYOKPOGZ-QMMMGPOBSA-N	248.091	-0.402	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CNc2ccccc2C1	2255670981	KWIWHILFBYKCDA-SNVBAGLBSA-N	244.059	-0.845	50	10	BBGE	
O=C(NCC=CC1CC1)c1ccc(B(O)O)cn1	2255715446	FVIUAQVYRRSPAP-UHFFFAOYSA-N	246.075	-0.543	50	10	BBGE	
C#C[C@H](C)CNC(=O)c1nc(C)ccc1B(O)O	2255728713	KIPXTHDCNJWEOD-QMMMGPOBSA-N	246.075	-0.931	50	10	BBGE	
O=C(NC[C@@H]1CC=CCC1)c1n[nH]cc1B(O)O	2255763479	LYSHPNABEALWGL-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCC2(CCC2)C1	2258127570	JZJZIUGZLRVCOE-UHFFFAOYSA-N	249.075	-0.024	50	10	BBGE	
O=C(NC[C@@]12CCC[C@H]1C2)c1cc(B(O)O)co1	2258154985	NJSKGVGORFKCRN-UFBFGSQYSA-N	249.075	-0.121	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2261387126	WJAPDNPPAVTOHE-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2298463549	KMQMPBUNRNFCPI-BWZBUEFSSA-N	243.068	-0.439	50	10	BBGE	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2298463612	OSTFZBNIYPUDNW-CWKFCGSDSA-N	241.052	-0.829	50	10	BBGE	
CN1C(=O)[C@H]2C[C@H]1CCN2CCCC(=O)NN	2299224612	QXVXCNFERLHKSN-RKDXNWHRSA-N	240.307	-0.939	50	10	BBGE	
CN1CC(COCCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300355276	ATZMLWPMQGVKAH-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@@H]1C[C@H]1CO	2301340162	AUTMWMYFUHGNKB-GZMMTYOYSA-N	232.048	-0.969	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N(C)[C@H]1CCNC1=O	2302050299	PEUVIRTXGMIXOI-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1O[C@H]2CC[C@H]1C2	2307424917	ZOACNFGBHVAFMC-GUBZILKMSA-N	237.064	-0.924	50	10	BBGE	
C[C@H](O)CCN(C)c1ccc(B(O)O)cc1C#N	2317152001	XCLCGNRERZDSNO-VIFPVBQESA-N	248.091	-0.555	50	10	BBGE	
C[C@@H](CO)[C@@H](C)Nc1ccc(B(O)O)cc1C#N	2317152014	XGFWUDMNMWGEOZ-DTWKUNHWSA-N	248.091	-0.333	50	10	BBGE	
CO[C@@H]1C[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317307784	DZRSEXPZUPXQIV-JOYOIKCWSA-N	249.075	-0.374	50	10	BBGE	
CC(C)[C@H](N)C(=O)NNC(=O)[C@H](N)C(C)C	1605712	KWHMENNFWCIVBZ-OCAPTIKFSA-N	230.312	-0.900	50	10	BBGE	
COCCS(=O)(=O)NCCCl	42809725	HHFGPZXPLHTZMD-UHFFFAOYSA-N	201.675	-0.209	50	10	BBGE	
Cc1nc(C)c([C@@H](C)NC(=O)C(=O)NN)s1	49540299	JGHHJTUKRHMKBO-RXMQYKEDSA-N	242.304	-0.073	50	10	BBGE	
O=C(CCCCl)N(CCO)CCO	70911695	UWYZDQYLGIFXRE-UHFFFAOYSA-N	209.673	-0.181	50	10	BBGE	
COCc1nc(N(C)C)sc1C(=O)NN	82447090	JOKLGQYJZHFPNK-UHFFFAOYSA-N	230.293	-0.041	50	10	BBGE	
Cc1nccn1C[C@H]1CC[C@@H](C(=O)NN)O1	82468403	FGGDMRLHXUXCLW-BDAKNGLRSA-N	224.264	-0.271	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H](C)CO	125432150	CYRDGOKPPOFMHP-YUMQZZPRSA-N	203.286	-0.687	50	10	BBGE	
CC(=O)NNC(=O)CS[C@@H](C)[C@H](C)O	230309899	SXIVFTNEDKOTML-WDSKDSINSA-N	220.294	-0.344	50	10	BBGE	
N#Cc1cnc(C(F)(F)F)c(B(O)O)c1	238615809	MKWGYLCOBMJVEP-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H](C)C(=O)NC	300215574	DUEKFHZBUORPPZ-YUMQZZPRSA-N	230.312	-0.931	50	10	BBGE	
N[C@H]1C[C@H](I)CNC1=O	306237966	PETGTHZFAMKFMA-IMJSIDKUSA-N	240.044	-0.363	50	10	BBGE	
OB(O)c1c(Br)ccc(F)c1O	307272939	VDNCOQBHTLCRJT-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C1CC[C@H](NS(=O)(=O)CCl)CCN1	307347495	QEDHYPFVWNMKNM-LURJTMIESA-N	240.712	-0.229	50	10	BBGE	
NC(=O)C1(O)CCN(C(=O)CCCl)CC1	309045302	MSDIYSZUCUKFPO-UHFFFAOYSA-N	234.683	-0.546	50	10	BBGE	
CN(CC(=O)NN)[C@H]1CN2CCC1CC2	309091827	DZAIUYGOMWMZSO-VIFPVBQESA-N	212.297	-0.998	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](N(C)C)[C@@H]1C	310180558	SZLQHLODCVGTAV-LPEHRKFASA-N	244.339	-0.984	50	10	BBGE	
NNC(=O)CN1CCC[C@H](N2CCCCC2)C1	382667539	VCQDXFUJJLGNAT-NSHDSACASA-N	240.351	-0.073	50	10	BBGE	
NCCCSCc1nc(C(=O)NN)co1	386971708	LSMFGOFSPNTULH-UHFFFAOYSA-N	230.293	-0.140	50	10	BBGE	
CC(=O)[C@H](Cl)c1ccc(B(O)O)cc1O	396026860	WZWRYQWQRQHMQQ-VIFPVBQESA-N	228.440	-0.059	50	10	BBGE	
O=C(CN1CCCN1)NNc1ccccn1	400289376	KCSDVUVUJFLYAC-UHFFFAOYSA-N	221.264	-0.265	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCCC(=O)NN)CO1	401516933	KYSXZIDHUWYOTR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)NNC(=O)C1CCSCC1	402175452	WYVBUZZSSVPKNE-UHFFFAOYSA-N	203.267	-0.171	50	10	BBGE	
CCNC(=O)Nc1ccc(C)c(B(O)O)c1	405089400	RPOGHFWJCCTNQV-UHFFFAOYSA-N	222.053	-0.184	50	10	BBGE	
O=C1[C@@H]2N[C@H](Cl)CC[C@@H]2NC[C@H]1[N+](=O)[O-]	605700879	BZKUVKRRCYHFIM-BNHYGAARSA-N	233.655	-0.511	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@@H](F)C2)n1	689839831	LUIMFZJEIGHKMY-ZCFIWIBFSA-N	228.227	-0.178	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC[C@H](CN)C1	695088904	WJYKKZDLRVSABG-NXEZZACHSA-N	228.340	-0.328	50	10	BBGE	
CN(C)NC(=O)[C@@H](C(=N)NO)C1CC1	704405338	LADVSDFTQRZXTJ-ZCFIWIBFSA-N	200.242	-0.439	50	10	BBGE	
CC(C)(CNC(=O)C(=O)NN)c1ccncc1	714264398	GYZFMNHPFODBHM-UHFFFAOYSA-N	236.275	-0.535	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2C[C@H]1CO2	718286233	KOWVHHSRUYLOFK-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
OB(O)C1=CC[C](CN2CCOCC2)S1	725539590	SHHFVJAMNMWSEP-UHFFFAOYSA-N	228.102	-0.117	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1[CH]SC=C1	725711719	RZKGAARAOXUYIX-ZETCQYMHSA-N	249.080	-0.262	50	10	BBGE	
Cc1ccc(C(=O)NNS(C)(=O)=O)o1	753079866	DGODEFAYMBQSDW-UHFFFAOYSA-N	218.234	-0.218	50	10	BBGE	
C#C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1	847022590	VKSFUWAUXVKNDG-SNVBAGLBSA-N	249.314	-0.111	50	10	BBGE	
O=C(NNC(=O)C1(O)COC1)C1CCCC1	1135854086	WNTYGSFZTHGCDH-UHFFFAOYSA-N	228.248	-0.915	50	10	BBGE	
Cn1nncc1C(=O)NNc1ccncn1	1141131235	TUFCTSLNBBLVDE-UHFFFAOYSA-N	219.208	-0.638	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1C[C@@H]1Br	1880434421	QBKWXBZAJXWZQU-WHFBIAKZSA-N	221.054	-0.063	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@H]1C[C@@H]1Br	1881349493	RCRMZSJMQMORKP-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H]2C[C@H](O)[C@H]1C2	1881840880	PDGYZCUGCZBQQV-QYNIQEEDSA-N	225.697	-0.032	50	10	BBGE	
CP(C)(=O)CCC(=O)NNC(N)=O	1882002624	SZPWGAIOHYIZPL-UHFFFAOYSA-N	207.170	-0.301	50	10	BBGE	
O=C1CN([C@H]2C[C@@H](Br)C2)C(=O)CN1	1882558899	NYFYYBHMQGLNCA-OLQVQODUSA-N	247.092	-0.129	50	10	BBGE	
NC(=O)C[C@@H](N)C(=O)NC1CC(Cl)C1	1884419652	LZGBAYQPRVHTEY-JMMWHDCWSA-N	219.672	-0.925	50	10	BBGE	
C[C@@H](Cn1cnnc1)NS(=O)(=O)CCl	1886907942	LPGPYTBIBBMOAT-LURJTMIESA-N	238.700	-0.218	50	10	BBGE	
C#CCC(=O)NN(C)S(=O)(=O)C1CC1	1888554748	PJBWFZFLRIOGHA-UHFFFAOYSA-N	216.262	-0.535	50	10	BBGE	
CCS(=O)(=O)N[C@H]1CCC=C1B(O)O	1892923296	DWJJAZXVJBWQKT-ZETCQYMHSA-N	219.071	-0.974	50	10	BBGE	
CNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1Cl	1893453463	NDLZNYXDHQZHMW-RNJXMRFFSA-N	220.700	-0.348	50	10	BBGE	
OB(O)c1csc(O[C@H]2C=CCC2)n1	1893729687	NRHKRZZCYCLJAB-LURJTMIESA-N	211.051	-0.080	50	10	BBGE	
O=C(N[C@]1(CO)C[C@H](O)C1)[C@H]1C[C@@H]1Cl	1893763362	ZOLGWPIPASMODE-BMLSCUAFSA-N	219.668	-0.384	50	10	BBGE	
Cc1cnc(=O)n([C@@H](C)CC(=O)NN)c1	1893837763	JDWJBUBPZUXRNE-ZETCQYMHSA-N	210.237	-0.507	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc(Cl)c(O)nc1=O	1894124550	DEMJBGWIOIAHJP-BYPYZUCNSA-N	246.654	-0.457	50	10	BBGE	
CC[C@H](COC[C@@H]1C[C@H]1C(=O)NN)N(C)C	1895629471	ZGBJADNJMPFVTO-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
CN1CC[C@@H]2[C@H]1CCCN2CCC(=O)NN	1896134594	FMNSBCPUZCEUSM-NXEZZACHSA-N	226.324	-0.465	50	10	BBGE	
C[C@@H]1CNC[C@@]1(C)C(=O)NN(C)S(C)(=O)=O	1901375411	LKYXWBUOGKDURB-VXNVDRBHSA-N	249.336	-0.845	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@@H]2CCS(=O)(=O)C2)C1	1902530465	ZDXUOFWDFROJDH-BDAKNGLRSA-N	247.125	-0.888	50	10	BBGE	
Cc1cc(N2CC[C@@H]3C[C@@H]3C2)ncc1B(O)O	1907079734	IZGXTVIAYAYKSG-NXEZZACHSA-N	232.092	-0.084	50	10	BBGE	
CCN(CCCO)C[C@H]1C[C@H]1C(=O)NN	1927913710	MDIOVDJHVCYLBS-RKDXNWHRSA-N	215.297	-0.683	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@@H]1CO	1929742813	ZAXQZEJJQLWWQB-RQJHMYQMSA-N	201.270	-0.933	50	10	BBGE	
C[C@@]1(CCl)CN([C@H]2CC(=O)NC2=O)C1=O	1932174369	QZCKGKCFXWMVNW-SSDLBLMSSA-N	230.651	-0.511	50	10	BBGE	
C[C@H](C[S@](C)=O)N(C)C[C@@H]1C[C@H]1C(=O)NN	1936091746	OCEAZXMDYFBVBD-HKVZHJOJSA-N	247.364	-0.689	50	10	BBGE	
C[C@@H]1C[C@H](N(C)C[C@H]2C[C@H]2C(=O)NN)CO1	1936093759	HDYOIZFNDUZICI-DOLQZWNJSA-N	227.308	-0.278	50	10	BBGE	
COC[C@@H](OC1(C)CCOCC1)C(=O)NN	1937020493	DUOUOPIWLZHSBB-MRVPVSSYSA-N	232.280	-0.423	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H]1COCC[C@H]1Cl	1937160220	RVMOXEMWBSZDMB-RNFRBKRXSA-N	245.670	-0.814	50	10	BBGE	
C[C@H](CN1CC[C@](C)(N(C)C)C1)C(=O)NN	1937549393	UHVKVSRSZMHQCZ-KOLCDFICSA-N	228.340	-0.362	50	10	BBGE	
CCN(CC1CN(C)C1)C[C@H]1C[C@@H]1C(=O)NN	1941087205	LYZCRWGHKIHWIJ-MNOVXSKESA-N	240.351	-0.504	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1CO	1941091229	WHZDTAGNGWVFFG-RCWTZXSCSA-N	241.335	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)N1CCOC[C@@H]1[C@H]1CCOC1	1941372374	IZKXJQBEBHCQMB-KXUCPTDWSA-N	243.307	-0.898	50	10	BBGE	
C[C@H](CN1CCC2(CC1)C[C@H]2CO)C(=O)NN	1944029622	NQWKKDQJUPJQHS-ZJUUUORDSA-N	241.335	-0.293	50	10	BBGE	
CO[C@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1C	1944324212	PVWDXWDZDQAFSL-MMWGEVLESA-N	241.335	-0.031	50	10	BBGE	
CO[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1C	1944324217	PVWDXWDZDQAFSL-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CCC2)C[C@H]1CO	1946223471	QPJWBZWTJUSIGT-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
COC[C@]1(O)CCN([C@H](C)[C@H](C)C(=O)NN)C1	1946478626	FRUPPSGALHPHIF-NGZCFLSTSA-N	245.323	-0.916	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCN(CCOC)CC1	1949127722	IXIMIPAQNLZHDF-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
COC(=O)c1ncccc1[C@@H](N)[C@H](O)C#N	1953032337	YQYOKVQMIVLGET-HTQZYQBOSA-N	221.216	-0.248	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@H](N)CCS(C)(=O)=O	1954339867	FDNIVIWBUNTQES-PHDIDXHHSA-N	227.713	-0.055	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NNC(N)=O)CO1	1955381494	XNNAJNDZPHAPAX-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
CO[C@H]1CN(C[C@H](O)CCl)[C@@H]2COC[C@@H]21	1958122895	QNPNPPQZEKHJOB-RGOKHQFPSA-N	235.711	-0.068	50	10	BBGE	
Cc1nc([C@@H]2CCCN2CC(=O)NN)no1	1976767281	DBCCWECJOIUILV-ZETCQYMHSA-N	225.252	-0.495	50	10	BBGE	
CON(c1ccc(B(O)O)c(C)n1)C(C)C	1981470677	CVSSWGJZPSSKRM-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
CN1C(=O)NCC12CN(CCOCCCl)C2	1983847969	PRLQDHLXMKKCBJ-UHFFFAOYSA-N	247.726	-0.049	50	10	BBGE	
Cc1cccc([C@@H](C)NC(=O)C(=O)NN)n1	1984121910	LQLIWVQUTMENSC-SSDOTTSWSA-N	222.248	-0.443	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCCN1C	1986996093	VWNMBYQZZFTISX-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
C[C@@H]1CCN(c2ncc(F)cc2B(O)O)C1	1988002177	TXMGKWXIVOHPOQ-SSDOTTSWSA-N	224.044	-0.253	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1[C@H]2CCC[C@H]21	1990775779	AFBDHTZDYALWPT-JZYVYDRUSA-N	225.292	-0.116	50	10	BBGE	
C[C@H]1OCC[C@@H]1CCn1ccc(B(O)O)n1	1991152916	UVHRTEUIWRLWFH-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
CC(C)(C)c1nccn(CC(=O)NN)c1=O	1991162023	VNWCHGBBRQEMFG-UHFFFAOYSA-N	224.264	-0.469	50	10	BBGE	
C#CCCS(=O)(=O)N[C@H]1CCC=C1B(O)O	1991332311	QPHJLFKTLDWMST-VIFPVBQESA-N	243.093	-0.970	50	10	BBGE	
CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)C=CC(=O)Cl	1991650550	NTCNJQMNWLQZPK-NYNCVSEMSA-N	246.694	-0.071	50	10	BBGE	
CCCCCCC(=O)N[C@@H](CB(O)O)C(=O)O	1998132880	KPYFURWKWHUAFO-QMMMGPOBSA-N	245.084	-0.001	50	10	BBGE	
Cc1cnn(C2CN(C[C@H](C)C(=O)NN)C2)c1	2003905601	WRBOUTSFNHOBMK-VIFPVBQESA-N	237.307	-0.326	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(=O)N[C@@H]2CCCC[C@@H]21	2004290428	DJXSOZLJVFZBNA-HLTSFMKQSA-N	240.307	-0.892	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)Cc1cnn(C)n1	2004801131	PABRGOWHFSPUOJ-SECBINFHSA-N	240.311	-0.595	50	10	BBGE	
Cc1ncnc(N(C)CC2CCC2)c1B(O)O	2004972316	DDZNNAUNMBTJMR-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
CC[C@H]1CCCN1c1ncnc(C)c1B(O)O	2004972773	KKPJEYFZYWSYHQ-VIFPVBQESA-N	235.096	-0.156	50	10	BBGE	
NNC(=O)N[C@H]1CCCN([C@@H]2CCCOC2)C1	2005215314	DJBWBDOEHLOVFV-VHSXEESVSA-N	242.323	-0.197	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)nc1	2005807560	LTCQGKUOGIYWPC-BEYHFKMWSA-N	231.064	-0.999	50	10	BBGE	
C[C@@H](CC(=O)N[C@H](CB(O)O)C(=O)O)C1CC1	2008280474	HPAIJEOXFYLLQO-POYBYMJQSA-N	243.068	-0.535	50	10	BBGE	
C[C@@H]1CN(C(=O)NN(C)C)C[C@@H](CC(=O)O)O1	2009301895	OKEIVBQRIMMYSA-HTQZYQBOSA-N	245.279	-0.263	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(N2CCCC2=O)C1	2011137166	KKWLSPUWEUMSSF-MRVPVSSYSA-N	240.307	-0.939	50	10	BBGE	
CCC(=O)N1CCN([C@@H](CC)C(=O)NN)CC1	2011464549	KIMDETZEERVGLS-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013925521	JIOGIGVLVOLNGL-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](C2(O)CC2)C1	2013927017	AAHDSAADMLRSCN-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](CO)C12CC2	2016080607	ONBBZEIKEHBZQT-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CC1(C)CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)C1	2023851865	CHALIMPYWWVKAP-HAQNSBGRSA-N	239.319	-0.133	50	10	BBGE	
COC[C@@H](C)OCC12CC(C(=O)NN)(CO1)C2	2023853207	KXMHKVSPSMDWOB-MFAVDMRSSA-N	244.291	-0.423	50	10	BBGE	
CCOc1ccc(OC)c([N+](=O)[O-])c1B(O)O	2060016469	ZFNXRNVXFXBQFA-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
CCc1c(OC)cc(C#N)cc1B(O)O	2060263312	MDUSBOCHKBUOPV-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
O=C(NC1[C@@H]2CCC[C@@H]12)c1ccc(B(O)O)cc1	2079009184	PMANGINCTAQXHD-GHMZBOCLSA-N	245.087	-0.105	50	10	BBGE	
CC1(O)CC(NC(=O)c2cccc(B(O)O)c2)C1	2079012054	NSLADIUPTHEWPW-UHFFFAOYSA-N	249.075	-0.990	50	10	BBGE	
C#CCCC(=O)NCCc1ccc(B(O)O)cc1	2084672792	NSPUCBGTPVCBIR-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
Cc1ncnc(N2C[C@@H]3CC[C@]3(C)C2)c1B(O)O	2087040802	JJMQRSIXZKKCRU-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
O=S(=O)(CCl)NCC#CCCO	2209005307	PLTSJQDTEJIVBO-UHFFFAOYSA-N	211.670	-0.512	50	10	BBGE	
CC1(C)C[C@]1(Cl)CNC(=O)C(=O)NN	2209946519	BFSFKXGTRVWWPN-QMMMGPOBSA-N	219.672	-0.500	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)CCC12CC2	2211247667	YZMXGJYCVMMDSV-IUCAKERBSA-N	227.308	-0.256	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1Cn1ccncc1=O	2211838746	LAXPTHOUJWSNRM-YUMQZZPRSA-N	222.248	-0.741	50	10	BBGE	
CC(C)=CCN=c1[nH]ccc(B(O)O)c1F	2212605465	FJJMZPUMQBLSKF-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H](CO)CC1CC1	2213913225	XPEGRVFIQOVDST-SNVBAGLBSA-N	245.323	-0.914	50	10	BBGE	
CC(=O)NNC(=O)CN1CCNC(C)(C)CC1	2217075217	WNVJMQFDYBNFJS-UHFFFAOYSA-N	242.323	-0.772	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2C[C@@H]2CF)c1F	2217183922	PBAIDUGCDXWJNS-RNFRBKRXSA-N	242.034	-0.082	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)C(C)(C)CN	2217186115	GLGYYGCSNUYPCJ-MRVPVSSYSA-N	238.096	-0.486	50	10	BBGE	
CC(C)(Oc1cc(B(O)O)ccn1)[C@@H]1CCN1	2217191211	BSWAAMTWMXJXFQ-VIFPVBQESA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CC=CCN2)c1	2217191493	KFXFBJHKENPZKW-SNVBAGLBSA-N	234.064	-0.942	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H](O)CC1	2217194637	BNDYHLJDQNBSQJ-KYZUINATSA-N	236.080	-0.523	50	10	BBGE	
OB(O)c1cccc(CN2[C@H]3CC[C@H]2CNC3)c1	2220070488	FFMMWROLGZOFPR-STQMWFEESA-N	246.119	-0.697	50	10	BBGE	
C=CCO[C@@H]1CCN(c2ncccc2B(O)O)C1	2223637442	FSPKVUVJONNHKN-SNVBAGLBSA-N	248.091	-0.457	50	10	BBGE	
OCC1CC2(CCN2c2cc(B(O)O)ccn2)C1	2223646981	RMZVNTBPQPCRSY-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
C[C@@](F)(CNC(=O)C#CB(O)O)C(F)(F)F	2243349860	RNTABDRGDJIMRM-ZCFIWIBFSA-N	240.949	-0.592	50	10	BBGE	
Cc1cc(CNC(=O)C#CB(O)O)sc1C	2243362284	OXULDNAGXJFBAB-UHFFFAOYSA-N	237.089	-0.003	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)C(=O)c1ccoc1B(O)O	2243362745	VZZDSXWOJGNLDY-HTRCEHHLSA-N	223.037	-0.560	50	10	BBGE	
O=C(N[C@H]1CCC[C@H](O)C1)C1(B(O)O)CC1	2243363793	MLTKAHHYOOPIOB-YUMQZZPRSA-N	227.069	-0.587	50	10	BBGE	
CC1(C)CCN(C(=O)C2(B(O)O)CC2)C1=O	2243364381	WKAVGNXEVCIVQE-UHFFFAOYSA-N	225.053	-0.222	50	10	BBGE	
N[C@@H]1CC[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2243365430	MNFCEMZXABOSFG-HTQZYQBOSA-N	226.085	-0.621	50	10	BBGE	
CCOC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2243372236	FBNPJVKRLMFVRW-OCAPTIKFSA-N	227.069	-0.513	50	10	BBGE	
C=CCN(CC)C(=O)c1csnc1B(O)O	2243378534	VDSQIGSAVAMGRH-UHFFFAOYSA-N	240.093	-0.529	50	10	BBGE	
C[C@@]1(CO)CCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2243382289	MZCKOLONBXUNMN-NRPADANISA-N	227.069	-0.777	50	10	BBGE	
CCn1ccc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2243392688	WFXMMWSOOPXPKI-BQBZGAKWSA-N	223.041	-0.874	50	10	BBGE	
CC1(CNC(=O)c2coc(B(O)O)c2)CC1	2243398729	SUBQLXZNPNSMAG-UHFFFAOYSA-N	223.037	-0.511	50	10	BBGE	
CCS[C@H]1CC[C@H](NC(=O)C#CB(O)O)C1	2243400187	WZXDTWAMHLXUHP-IUCAKERBSA-N	241.121	-0.208	50	10	BBGE	
C[C@H](O)C1(NC(=O)C2CC(B(O)O)C2)CC1	2243403920	GEVDYBYXUDEWEL-KKMMWDRVSA-N	227.069	-0.731	50	10	BBGE	
C=CCC[C@@H](CO)NC(=O)C1(B(O)O)CC1	2243409957	RYJCFGACEJNDME-QMMMGPOBSA-N	227.069	-0.563	50	10	BBGE	
CCCN(CCO)C(=O)C1(B(O)O)CCC1	2243411257	QNGYTPAAPZAMHD-UHFFFAOYSA-N	229.085	-0.386	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)cs1	2243419906	IULWPOVWJKWPLZ-QMSLJYSESA-N	237.089	-0.434	50	10	BBGE	
C[C@@H](CCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420377	RIGBZTORSBYNTH-CIUDSAMLSA-N	229.085	-0.483	50	10	BBGE	
C=CC(=O)N[C@H](C)c1ccc(B(O)O)cc1	2243675315	UXYOCKKPYGOQDM-MRVPVSSYSA-N	219.049	-0.270	50	10	BBGE	
C[C@H](CC(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243754421	DBMDWCWVNYVPSK-DSYKOEDSSA-N	229.041	-0.829	50	10	BBGE	
CS(=O)(=O)N1CCC[C@H](OC(=O)N=C=O)C1	2244063318	RGIRFEFCGSKNGF-ZETCQYMHSA-N	248.260	-0.117	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(OC(F)F)C1	2244981693	VLEDSOGIPBCBMG-UHFFFAOYSA-N	237.206	-0.890	50	10	BBGE	
O=C(Nc1ncccn1)c1ccc(B(O)O)o1	2247737200	DVCHJYUKQQSJBF-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
C[C@@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247746745	CXLKVSZRNQYPJE-MRVPVSSYSA-N	236.080	-0.433	50	10	BBGE	
CC(C)[C@H](N)CCNC(=O)C1(B(O)O)CCC1	2247757371	QGDFLYTWDFNPJZ-SECBINFHSA-N	242.128	-0.127	50	10	BBGE	
N[C@H]1CCCCCN(C(=O)C2(B(O)O)CC2)C1	2247759150	ZFGFUSGLWJSDMM-VIFPVBQESA-N	240.112	-0.277	50	10	BBGE	
CCCN(CC)C(=O)c1cncc(B(O)O)c1	2247775160	IAPFTOPEZABCIP-UHFFFAOYSA-N	236.080	-0.367	50	10	BBGE	
NC[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247793681	ZIXOHEILOQORNA-KZVJFYERSA-N	244.075	-0.863	50	10	BBGE	
COC1CC(CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247799941	JTGBAXKTTYKOEP-HORUIINNSA-N	241.096	-0.219	50	10	BBGE	
O=C(NC12CCC(CC1)OC2)[C@H]1C[C@@H]1B(O)O	2247804768	IKYSZCSHBKOFBX-QMFGVRBNSA-N	239.080	-0.323	50	10	BBGE	
C[C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H]3B(O)O)(CO1)C2	2247805325	BHUMXSZOKVTRHP-HZQMYPQZSA-N	239.080	-0.323	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)CO1	2247887651	QJQUAUHNOFBPJR-XKNYDFJKSA-N	241.096	-0.077	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@@H]1B(O)O	2247894435	GVTFXOFSXAIMPS-CVPUBMOQSA-N	239.080	-0.467	50	10	BBGE	
C[C@H]1OC2(C(=O)NCCC#CB(O)O)CC1C2	2249999223	SVENQPXUBCXALH-FKTRJACZSA-N	237.064	-0.924	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1C(=O)C1(B(O)O)CCC1	2251001726	KIXSWNXBWBLOBF-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
OB(O)c1ccn(CCc2ccc(F)cc2)n1	2252629012	QFIRRBYRMXYISI-UHFFFAOYSA-N	234.039	-0.055	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CC[C@H]2C[C@H]1CO2	2254488471	PMCMRRUVTLOKQT-QXEWZRGKSA-N	248.091	-0.259	50	10	BBGE	
CN(CCOc1ccccc1)C(=O)C#CB(O)O	2255468469	BBPAMHSGMLXBEI-UHFFFAOYSA-N	247.059	-0.461	50	10	BBGE	
Cc1cccc(B(O)O)c1C(=O)Nc1cnoc1	2255509433	LQOFRUPRZRMWHR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CN(C(=O)c1ncccc1B(O)O)C1(C)CCC1	2255710232	HWJANNJMRCHDEF-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
O=C(NC1CC(C2CC2)C1)c1coc(B(O)O)c1	2255724466	FSPDLONYUASCRM-UHFFFAOYSA-N	249.075	-0.122	50	10	BBGE	
C=C[C@@H](C)ONC(=O)c1ccc(B(O)O)c(C)c1	2255736491	OHWUJUIVBFAJEZ-SECBINFHSA-N	249.075	-0.089	50	10	BBGE	
COc1n[nH]cc1CNc1ncccc1B(O)O	2256539729	KLGRCEXZEDLNBG-UHFFFAOYSA-N	248.051	-0.895	50	10	BBGE	
CC#CCN(C)C(=O)c1ncc(B(O)O)cc1C	2257495431	YOCPSGFQKUZZAA-UHFFFAOYSA-N	246.075	-0.835	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298164976	VAQGDTNYAQFKGX-VPOLOUISSA-N	241.335	-0.031	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2[C@@H]3CCO[C@@H]32)c1F	2298224434	FSMUAPJETXORIZ-HQLVHBAOSA-N	238.027	-0.900	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)O1	2298371853	XWBBHIABUKAEEM-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1CCN2CCC[C@@H]12)[C@@H]1C[C@H]1B(O)O	2298371934	ZTKAGZQJUILLMP-KYXWUPHJSA-N	238.096	-0.798	50	10	BBGE	
C#C[C@H](C)CNc1ccc(B(O)O)cc1C#N	2301346730	UJELGTUBFOTFPI-VIFPVBQESA-N	228.060	-0.081	50	10	BBGE	
NCCCCNc1ccc(C=O)c(B(O)O)c1	2301452501	IIUXBSUGDYGKCP-UHFFFAOYSA-N	236.080	-0.670	50	10	BBGE	
CCC#CC(=O)NCc1ccccc1B(O)O	2302831458	UZEHFJJBFKYHNZ-UHFFFAOYSA-N	231.060	-0.604	50	10	BBGE	
Cn1c(=O)n(C)c2cc(NC(=O)NN)ccc21	2303091853	PNNQCQKADSZVPS-UHFFFAOYSA-N	235.247	-0.128	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3OCC[C@@H]3O2)C1	2303101636	LYRSFTACDFSETM-RCWTZXSCSA-N	241.096	-0.519	50	10	BBGE	
O=C(c1ccc(O)nc1)N1CC[C@@H](B(O)O)C1	2303103621	GDPKIRYITKDPRZ-MRVPVSSYSA-N	236.036	-0.524	50	10	BBGE	
CC1(C)COC[C@@H](CN2CC[C@H](B(O)O)C2)O1	2303147495	OMYHGKARFNNEOH-VHSXEESVSA-N	243.112	-0.271	50	10	BBGE	
CCc1cnn(CCn2cc(B(O)O)cn2)c1	2305949519	HSLDHTTZAGREQQ-UHFFFAOYSA-N	234.068	-0.978	50	10	BBGE	
COc1cnc(CN2CC[C@H](B(O)O)C2)nc1	2307198642	BNQZSHDGXCCNME-QMMMGPOBSA-N	237.068	-0.466	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2CNC[C@@H]1C2	2312612278	MQLKFCUKJZHVSA-ATZCPNFKSA-N	247.107	-0.829	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC1(CCN)CC1	2317206697	PRVJBAGOPRGIEZ-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
CNCCCCOc1ccc(B(O)O)cc1C#N	2317207241	CZYHYTCUHIPDHV-UHFFFAOYSA-N	248.091	-0.384	50	10	BBGE	
NC[C@H](Oc1ccc(C=O)c(B(O)O)c1)C1CC1	2317351140	CZFPQUIDGIRYHU-LBPRGKRZSA-N	249.075	-0.705	50	10	BBGE	
CS(=O)(=O)NNC(=O)c1ccncc1	41125083	GDCLIVHWCBNBGI-UHFFFAOYSA-N	215.234	-0.724	50	10	BBGE	
CNC(=O)CCNC(=O)CBr	82511016	OQLRDLBDHHYVNS-UHFFFAOYSA-N	223.070	-0.366	50	10	BBGE	
CCN1CCC[C@@H]1CN(C)CCC(=O)NN	86190428	CSMLNYLUJUPUNJ-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
CC(C)(CO[C@@H]1CCOC1)C(=O)NN	86597530	GMJGBMPYNFOQNI-SSDOTTSWSA-N	202.254	-0.192	50	10	BBGE	
CCN(C)CC(=O)NNC(=O)C1CCC1	111215102	BZCSBFLCDIAOLJ-UHFFFAOYSA-N	213.281	-0.114	50	10	BBGE	
OB(O)c1cccc(OCCn2ccnc2)c1	199005506	NGJPSOCKXCGIMY-UHFFFAOYSA-N	232.048	-0.358	50	10	BBGE	
COCOc1ccc(OC)cc1B(O)O	228693822	XWNOGBTWAOKRJT-UHFFFAOYSA-N	212.010	-0.642	50	10	BBGE	
C[C@H]1CN(CC(C)(C)C(=O)NN)C[C@@H](CO)O1	230058114	RPJYCJNYPWSQBH-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CCOC[C@@H](C)O[C@H](COC)C(=O)NN	233763929	FQVBFVJQUHUHQT-HTQZYQBOSA-N	220.269	-0.567	50	10	BBGE	
COC(=O)[C@H](Cl)CNCc1cn(C)nn1	234576829	BSQPRTZLUBPITE-SSDOTTSWSA-N	232.671	-0.315	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC([C@@H](C)O)CC1	235247663	DVHMFWGICXWZDY-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
Cn1cc(-c2ccccc2B(O)O)cn1	238510873	WHXWPBLRTYVPOG-UHFFFAOYSA-N	202.022	-0.233	50	10	BBGE	
COc1ccc(F)cc1C[C@H](N)C(=O)NN	259018269	PHIOOHNWZCJQKI-QMMMGPOBSA-N	227.239	-0.306	50	10	BBGE	
Nc1ccc2cc(O)sc2c1B(O)O	306900555	FJMKXYUXDHSCMU-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
OB(O)c1ccc(O)c(C(F)(F)F)n1	306912218	MDFFNLSYZCIWMD-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
NNC(=O)c1csc(CSCC(N)=O)n1	378711452	LKINETJMTWITLA-UHFFFAOYSA-N	246.317	-0.535	50	10	BBGE	
O=C(NN[C@@H]1CCSC1)[C@H]1COCCN1	381799487	CUARXJVFOXRZQO-HTQZYQBOSA-N	231.321	-0.899	50	10	BBGE	
CC[C@H](CO)N(C)[C@H](CC)C(=O)NN	393954433	UMASKSJWOBOUNU-HTQZYQBOSA-N	203.286	-0.542	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1/C=C/C(=O)O	396128623	AQJFSXDPEATBTN-GQCTYLIASA-N	245.043	-0.080	50	10	BBGE	
O=C(O)c1c(B(O)O)cc(O)c2ccsc12	396389479	WAPKJJCLJJXJHH-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CNC(=O)CCS[C@@H](C)[C@H](C)C(=O)NN	399215645	TZEZDSMIYUHXCA-BQBZGAKWSA-N	233.337	-0.130	50	10	BBGE	
CCCNC(=O)Nc1cccc(B(O)O)c1	405010197	PNBKXYHSDDQUSE-UHFFFAOYSA-N	222.053	-0.102	50	10	BBGE	
Cc1ccc(N[S@@](C)=O)cc1B(O)O	405082013	MNCCURFUXFMEHZ-CQSZACIVSA-N	213.067	-0.620	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N1CC(CO)C1	490881878	ZQNACKIHEFPTJT-VQHVLOKHSA-N	210.233	-0.119	50	10	BBGE	
COc1ccc(B(O)O)c(F)c1[N+](=O)[O-]	575709044	ULHJWCFECPRMEU-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2CC(C)(C)C(=O)NN	687258936	XWOIDOFPKCFLCA-AOOOYVTPSA-N	240.351	-0.219	50	10	BBGE	
CO[C@H]1C[C@@H]1C(=O)NCc1ccc(B(O)O)cc1	690075743	NGRGLLIIYAXXMU-QWRGUYRKSA-N	249.075	-0.983	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CO[C@@H](C2CC2)C1	691374335	XSLFEORJZWDWJC-JGVFFNPUSA-N	227.264	-0.998	50	10	BBGE	
C[C@H](O)CN(CCCCC(=O)NN)C1CC1	692095624	LWROZQXEUJMNJG-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
Cc1ccnc(Cn2nc(C)c(B(O)O)c2C)n1	692667432	QCWKAHYUXDVMKJ-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
C[C@@H](Cl)CN(C)C(=O)c1nnn(C)n1	697203098	CDDGHBOTLLFUEG-RXMQYKEDSA-N	217.660	-0.091	50	10	BBGE	
NNC(=O)CCN1CC(N2CCCCCC2)C1	697754598	CYAXDOKRZKJJAU-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C1(CO)CCC1	703453911	FTZKGZTYPGEPDS-HTQZYQBOSA-N	225.244	-0.182	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@H]2NCCN[C@H]2C1	706210785	AWOPWJFSWURQGV-BBBLOLIVSA-N	226.324	-0.691	50	10	BBGE	
OB(O)c1ccc(CN2CC[C@H]3C[C@H]32)cc1	707091108	XBIAHYQUOPWECF-CMPLNLGQSA-N	217.077	-0.039	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@@H]1CO	708122874	DBKJGBKROPVMER-ZYUZMQFOSA-N	229.324	-0.439	50	10	BBGE	
Cn1nnc(CN[C@@H]2COCC[C@@H]2Cl)n1	710959181	DYUBPXXLXKWZNK-NKWVEPMBSA-N	231.687	-0.304	50	10	BBGE	
CCCNC(=N)SCC(=O)NNC(C)=O	719111765	IISIDLQPDZPJSG-UHFFFAOYSA-N	232.309	-0.179	50	10	BBGE	
CC(C)(CO)NC1=C(C#N)[C@@H](N)[N]S1	725553428	PGXGJVYCKICPOZ-LURJTMIESA-N	213.286	-0.367	50	10	BBGE	
[O][S+]1(=O)CC(C[n+]2n[nH]cc2CCl)C1	725700541	BCOVRPJVJTYDOD-UHFFFAOYSA-O	236.704	-0.089	50	10	BBGE	
O=C(NNc1ncccn1)[C@]12CNC[C@H]1COC2	846668687	JXUHZFOSXDSRET-KWQFWETISA-N	249.274	-0.844	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1ccc(C#N)nc1	1119582087	RWXFBLSIWUKHJT-QMMMGPOBSA-N	234.259	-0.089	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@H]1C[C@H](O)[C@H](O)C1	1303821706	BIXOAMFXCDVEBC-ONAANMQESA-N	240.259	-0.569	50	10	BBGE	
COC(=O)NNC(=O)COCc1nccn1C	1328904384	IDOARMQYROKVBU-UHFFFAOYSA-N	242.235	-0.676	50	10	BBGE	
CNC(=O)NNC(=O)c1nccnc1SC	1331899112	BMIPCXRVKVVKSE-UHFFFAOYSA-N	241.276	-0.228	50	10	BBGE	
CCn1nc(C(=O)NNc2nc[nH]n2)ccc1=O	1472574213	PJGYXQOYJRLUOQ-UHFFFAOYSA-N	249.234	-0.862	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNc1nnc(C)c(O)n1	1608540414	ABJIMHAPOFGPQP-PHDIDXHHSA-N	239.235	-0.636	50	10	BBGE	
Cn1ccc(C(=O)NNc2ccncn2)n1	1627967335	PTYZYQDMSPHRSR-UHFFFAOYSA-N	218.220	-0.033	50	10	BBGE	
O=C(O)C(=O)NC[C@@H]1C[C@@H]1Br	1877358003	NLYHPHZYKXONBW-IMJSIDKUSA-N	222.038	-0.029	50	10	BBGE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NN)C(C)(C)O	1880064648	NNWAQWLBRTZJJB-LURJTMIESA-N	247.295	-0.360	50	10	BBGE	
O=S(=O)(NC[C@H]1C[C@@H]1Cl)C1CNC1	1883568049	TUAKYYCGQVJDGN-VDTYLAMSSA-N	224.713	-0.495	50	10	BBGE	
COC(=O)NN(C)S(=O)(=O)C(C)C	1888561603	GKJDDWKKGGJITE-UHFFFAOYSA-N	210.255	-0.073	50	10	BBGE	
O=C(O)C1(NC2CC(Cl)C2)CNC1	1892922701	XYXLUHMKTZATLE-UHFFFAOYSA-N	204.657	-0.228	50	10	BBGE	
C[C@@H]1C(=O)NCC(=O)N1C[C@@H]1C[C@@H]1Cl	1893100616	WGVXNYTWVZBLSC-VQVTYTSYSA-N	216.668	-0.039	50	10	BBGE	
CN(C)CCONC(=O)C=CC(=O)Cl	1893417831	SQMGATQHLWLJIF-UHFFFAOYSA-N	220.656	-0.083	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)[C@H](O)C(=O)O	1893475649	WJMNGYSMJCVYLI-FSIIMWSLSA-N	221.640	-0.436	50	10	BBGE	
C=C(COCC1CCOCC1)B(O)O	1895148627	KJYWWSPDAGQDPQ-UHFFFAOYSA-N	200.043	-0.002	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2[C@@H]1C[C@H]2O	1895657891	VWWMFGRANLZLAT-LPEHRKFASA-N	227.308	-0.398	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CCN1)S(=O)(=O)C1CC1	1901342956	SXFOUIVTFGTBEE-SECBINFHSA-N	247.320	-0.806	50	10	BBGE	
C[C@H]1C[C@H](CC(=O)NN(C)S(C)(=O)=O)CN1	1901374842	WVNHNYZECNSRQE-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(CN1CC(C[S@](C)=O)C1)B(O)O	1901706550	ABRLULBWGVLRMV-INIZCTEOSA-N	245.153	-0.355	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC2[C@H]3COC[C@H]23)C1	1902516219	RBTPXQPFTLAOTB-MXWKQRLJSA-N	225.097	-0.182	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CC(C)(C)CC1=O	1905541623	LMLLBHGMPNZOHZ-SSDOTTSWSA-N	241.291	-0.070	50	10	BBGE	
CO[C@@H]1C[C@@H](OC)CN(C[C@@H](C)C(=O)NN)C1	1906327593	SGWMFGODYKQAPP-OPRDCNLKSA-N	245.323	-0.652	50	10	BBGE	
COc1ccc(C[C@](C)(N)B(O)O)cc1OC	1912278258	VAKFAFIOFNSNPP-NSHDSACASA-N	239.080	-0.024	50	10	BBGE	
C[C@H](CN1C[C@H](CO)C(C)(C)C1)C(=O)NN	1914011659	UJKJUUBHFXZRST-RKDXNWHRSA-N	229.324	-0.437	50	10	BBGE	
CN1CC[C@H](C(=O)NNC(=O)C(F)(F)F)C1	1923407633	ZWJUOQBIBYRTHY-YFKPBYRVSA-N	239.197	-0.352	50	10	BBGE	
C[C@@H]1CN(C(=O)CCl)CC(=O)N1C	1925966343	HVCCLCQLUSPWOH-ZCFIWIBFSA-N	204.657	-0.086	50	10	BBGE	
CCN(CCCO)CC(F)(F)C(=O)NN	1927816952	UXQUWCMUTDVVMQ-UHFFFAOYSA-N	225.239	-0.684	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@H]1CO	1929733265	JNIRQSQCOLTTLR-ZCFIWIBFSA-N	213.686	-0.378	50	10	BBGE	
CCN(C)[C@@H]1CCN(CC(=O)NN)C1	1933286524	JCJKDZNVZWIHQV-MRVPVSSYSA-N	200.286	-0.998	50	10	BBGE	
Cc1cnc(=O)n(C[C@H]2C[C@@H]2C(=O)NN)c1	1936083048	QANGMPWVCJJNEV-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CSCC(=O)NC1CC1	1936093772	HIDAIZKJDCNPMX-HTRCEHHLSA-N	243.332	-0.376	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937461447	SKCPRGFESBEUDJ-JLIMGVALSA-N	227.308	-0.685	50	10	BBGE	
CO[C@H]1CCCN(CC2(C(=O)NN)CC2)C1	1938246812	LWFLHEWQKAZELR-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
C[C@H](O)CN(C)Cc1cncc(C(=O)NN)c1	1940583768	XCOSOGLJJRMTPS-QMMMGPOBSA-N	238.291	-0.502	50	10	BBGE	
CN(CCOCC(=O)NN)CC1C[C@@H]2C[C@H]2C1	1941780345	ORRVRFXKSNNQRY-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
COC[C@@H]1[C@@H]2CCN(C[C@@H](C)C(=O)NN)C[C@H]21	1944578119	IJKPIBOOUKPVMB-GWOFURMSSA-N	241.335	-0.173	50	10	BBGE	
Cc1cn(CC2(C(=O)NN)CC2)c(=O)nc1O	1945884907	YKLCYSDUWMPVFK-UHFFFAOYSA-N	238.247	-0.973	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC([C@@H]2CC2(F)F)C1	1948095194	NYXDWFRKARIWEN-YUMQZZPRSA-N	249.261	-0.422	50	10	BBGE	
C[C@H](CN(C)[C@H]1C[C@@H]2COC[C@@H]2C1)C(=O)NN	1950247719	ZNQWBHLZUVMHFV-ZNSHCXBVSA-N	241.335	-0.031	50	10	BBGE	
COc1ncnc(N(C)C)c1[C@@H](N)[C@H](O)C#N	1953072520	JOANEQPXUMGVRQ-SVRRBLITSA-N	237.263	-0.565	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC([S@](C)=O)C1	1961564179	MTXBKBPWCIVNFV-GLEZIHRCSA-N	233.337	-0.792	50	10	BBGE	
CN(c1ncncc1B(O)O)C1(C)CC1	1961682112	XITFLPNXHUOZCY-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
COC1CC(C(=O)N2CCC(B(O)O)CC2)C1	1964500632	MMSADLLSNRDTIQ-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
C[C@]12CCCN(C(=O)C(=O)NN)[C@H]1COC2	1976539154	CJDMOSAQHPLDJH-OIBJUYFYSA-N	227.264	-0.996	50	10	BBGE	
O=C(CC1CCC1)N[C@H](CB(O)O)C(=O)O	1976981079	GHEWWGDIWGAPAD-SSDOTTSWSA-N	229.041	-0.781	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)[C@@H](O)CC12CCC2	1980729548	UCWVHYWIJHXFSH-UTLUCORTSA-N	249.738	-0.064	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCC(=O)NN)CCN1C	1980815519	BVGACVWNYGJHPL-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
Cn1cnc2c1CCN(CCC(=O)NN)C2	1980820104	GKZGHPLKBMCUPK-UHFFFAOYSA-N	223.280	-0.842	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[S@@](=O)C[C@H]1C	1981190431	CFRVSEYZCQWRHK-ABFUHYCJSA-N	247.364	-0.402	50	10	BBGE	
Cc1cnc(N2CC[C@@H](F)C2)c(B(O)O)c1	1981469463	STRKWEJXAKIJDN-MRVPVSSYSA-N	224.044	-0.382	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ncccc1B(O)O	1984211065	FHLYPUKSGXDQAG-ZCFIWIBFSA-N	230.023	-0.149	50	10	BBGE	
C[C@H](CN(C)C[C@H]1OCC[C@@H]1F)C(=O)NN	1984337018	FUKDISCOODBKDO-HRDYMLBCSA-N	233.287	-0.329	50	10	BBGE	
CN(C)CCOC[C@@H]1CC[C@@H](C(=O)NN)C1	1985357838	TXULKVLESWYPCI-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CCCCCC(=O)NN	1985572118	PJDQRSKMDCVFNR-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
CCN(CCF)C[C@H]1CC[C@H](C(=O)NN)O1	1986591105	OILMQIIUTKOIPB-RKDXNWHRSA-N	233.287	-0.185	50	10	BBGE	
N#Cc1ccc2c(c1)CCN2CC(=O)NN	1988539994	SFHBCGZQAPGABA-UHFFFAOYSA-N	216.244	-0.089	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1CCC2(CC2)C1	1992126193	VXKARKPPLUISFM-VIFPVBQESA-N	221.065	-0.302	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2COC[C@@H]21	1992337513	ITAVVBBKQSEPOC-BQBZGAKWSA-N	235.234	-0.668	50	10	BBGE	
O=C(NCC1CC1)c1ccccc1B(O)O	1992835811	GJQASWUWVCSUNW-UHFFFAOYSA-N	219.049	-0.494	50	10	BBGE	
CCN1CCN([C@H](C(=O)NN)C(C)C)CC1=O	1996755543	FMIVFCHYDPSFEB-JTQLQIEISA-N	242.323	-0.835	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1997512772	NGPNTWMVIWGNOG-MNOVXSKESA-N	240.351	-0.077	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC(N(C)C)C2)C1	2000465392	DGERCFOWYIXOLB-VIFPVBQESA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@@H]2C[C@@]2(O)C1	2004195541	ZCMXLZPKGAJZDY-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H]2C(F)F)O1	2004461663	OYFCCDRAXRFAJD-FXQIFTODSA-N	249.261	-0.137	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CCC[C@@H]21	2004918037	ZSXRWRYMQBZFGB-SCZZXKLOSA-N	233.080	-0.465	50	10	BBGE	
CCCN(CC(F)F)c1ncc(B(O)O)cn1	2004920342	JFPMVSOGFFQANS-UHFFFAOYSA-N	245.038	-0.362	50	10	BBGE	
C=CC[C@@H](C)Oc1ncc(B(O)O)c(OC)n1	2004933367	GMUAAPKYDVVWHJ-SSDOTTSWSA-N	238.052	-0.492	50	10	BBGE	
C[C@@H](COCc1cccc(B(O)O)c1)N(C)C	2006994617	QCMGMIOLLNDNRU-JTQLQIEISA-N	237.108	-0.167	50	10	BBGE	
O=c1c(B(O)O)cccn1C1CC(C2CC2)C1	2008840088	HDRGQFLJEKDBOS-UHFFFAOYSA-N	233.076	-0.111	50	10	BBGE	
Cc1nccn(CCC(F)(F)C(=O)NN)c1=O	2008867918	QVKVWTOVHYOABT-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
CO[C@H](C)CC(=O)Nc1cc(B(O)O)ccn1	2009675348	FAWOYRLROACPRV-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
CC(C)N1C[C@@H]2C[C@@H]1CN2C[C@@H](C)C(=O)NN	2014230656	QIBKKIQFKUHVHF-OUAUKWLOSA-N	240.351	-0.221	50	10	BBGE	
COCC1(CN(C)C[C@H]2C[C@@H]2C(=O)NN)CC1	2018962257	HTRIVRFEUWZWNR-ZJUUUORDSA-N	241.335	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H]2CCC[C@H]21	2019210267	NFUKPZOEWQKKHJ-NXEZZACHSA-N	241.291	-0.593	50	10	BBGE	
CO[C@H](C(=O)N[C@@H]1CCC=C1B(O)O)C(C)C	2020058003	WNQQGMLSWFWBSM-ZJUUUORDSA-N	241.096	-0.126	50	10	BBGE	
C=C(CN1CCO[C@H]([C@H]2CCOC2)C1)B(O)O	2021159166	OLAXXSIJASSEFL-QWRGUYRKSA-N	241.096	-0.708	50	10	BBGE	
C=C(CN(C)[C@H]1C[C@H](OC)[C@H](OC)C1)B(O)O	2021162892	MIIGQIBFLQAPCZ-RTCCRHLQSA-N	243.112	-0.321	50	10	BBGE	
CC(C)=CC(=O)NCc1ccc(B(O)O)cc1	2025203675	JIFHQGKXLZXHPX-UHFFFAOYSA-N	233.076	-0.051	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)C[C@H]1CCN1	2027265754	VUJGJOXARHVYSX-SNVBAGLBSA-N	249.318	-0.182	50	10	BBGE	
CN(Cc1ccn(C)n1)c1ncccc1B(O)O	2052493159	YIHSDPJNVLJNBO-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CCc1nc(C)cn1-c1ncc(B(O)O)c(C)n1	2052600229	UEGXCTIJJVEAIU-UHFFFAOYSA-N	246.079	-0.479	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CCN(C)C[C@H]2C)n1	2052623297	HJEXXRLTRFFTEZ-SNVBAGLBSA-N	249.123	-0.790	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@H]1CCN2c1ccncc1B(O)O	2058058932	GPHVTFIHTYTDSM-JFUSQASVSA-N	248.091	-0.625	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(F)cc1B(O)O	2060129103	FAYJXZHTDLVEEH-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCOc1cc(B(O)O)c(C)cc1C=O	2060148050	WGVUCALPKLIJHB-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
CCC[C@H]1C[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2079523078	MQXQEPJNGUNTNO-IONNQARKSA-N	249.079	-0.469	50	10	BBGE	
C#CC(C)(C)C(=O)NCc1ccc(B(O)O)cc1	2084689974	MRHXHDRCFGWJBW-UHFFFAOYSA-N	245.087	-0.358	50	10	BBGE	
C[C@H]1CN(CCNC(=O)CCl)C(=O)N1	2210029878	DCLIMKOAGWMQBA-LURJTMIESA-N	219.672	-0.245	50	10	BBGE	
CO[C@@H]1CCN(Cc2cc(B(O)O)cs2)C1	2211071291	APCVIGHGSFPSAR-SECBINFHSA-N	241.121	-0.351	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@H]2C[C@@H]2C1=O	2211799530	ZIPYMCLVLPSFML-WDSKDSINSA-N	233.218	-0.520	50	10	BBGE	
C=C(CN(C)C[C@H](F)[C@H]1CCOC1)B(O)O	2212185155	UTOAZUIYEXLNAP-UWVGGRQHSA-N	231.076	-0.139	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCCC[C@@H]21	2213188329	FCODESASLAJGAT-CIUDSAMLSA-N	241.291	-0.702	50	10	BBGE	
CC[C@H]1C[C@H]1CCn1cc(B(O)O)ccc1=O	2215323480	DZROKUGGUSTWLG-VHSXEESVSA-N	235.092	-0.036	50	10	BBGE	
CNCC1CC(Oc2ccc(B(O)O)cn2)C1	2217179221	ICKXTHZGRSIZCU-UHFFFAOYSA-N	236.080	-0.862	50	10	BBGE	
CC[C@@H](N)CCOc1cc(B(O)O)c(C)cn1	2217180514	IIEHQJVMGMIASY-SECBINFHSA-N	238.096	-0.424	50	10	BBGE	
CC[C@H](N)CCCOc1cc(B(O)O)ccn1	2217195037	DVKIHYASIKSWIK-JTQLQIEISA-N	238.096	-0.342	50	10	BBGE	
OC[C@@H](Nc1cc(B(O)O)ccn1)C1CCC1	2217197549	NPIIIFVUYWUZPX-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
OB(O)c1cccnc1NCC1=CCOCC1	2217202936	NHXPTROCESCKKI-UHFFFAOYSA-N	234.064	-0.480	50	10	BBGE	
NC[C@@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2223625051	CGVYNCURBWHCFM-MWLCHTKSSA-N	249.123	-0.309	50	10	BBGE	
CC(C)[C@@H]1CNCCN1c1ncccc1B(O)O	2223632301	HWGVZABKQMQHPC-NSHDSACASA-N	249.123	-0.804	50	10	BBGE	
OB(O)c1ccc(N2C[C@@H](O)CCC23CC3)nc1	2223650230	KDGZELHSWFZNJD-JTQLQIEISA-N	248.091	-0.745	50	10	BBGE	
N[C@@H]1CCCC12CN(c1cc(B(O)O)ccn1)C2	2223669074	FSZNMJSAMBTAGL-SNVBAGLBSA-N	247.107	-0.921	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H](C3(O)CC3)C2)c1	2223670948	FSFQJUYMBVOZTO-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
Cc1cc(B(O)O)c(C(N)=O)cc1Cl	2241480215	GFRJHQLAQQOGKS-UHFFFAOYSA-N	213.429	-0.573	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC[C@@H]1[C@H](O)CO	2241810609	GGZNZSQBVUXQII-BWZBUEFSSA-N	221.684	-0.185	50	10	BBGE	
CC1(OCC2(C(=O)NN)CC2)COC1	2242122088	MBZOETOEIYEMDZ-UHFFFAOYSA-N	200.238	-0.438	50	10	BBGE	
C[C@@H](n1ccc(B(O)O)n1)C(F)(F)F	2242479139	ISTCCVYRECGVJC-SCSAIBSYSA-N	207.948	-0.314	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1ncon1	2243395959	FGJWETDGMCFFJI-ZLUOBGJFSA-N	225.013	-0.890	50	10	BBGE	
CC(C)[C@H](O)CNC(=O)C1(B(O)O)CCC1	2243397605	FPPJVYGQHMLXAA-MRVPVSSYSA-N	229.085	-0.483	50	10	BBGE	
O=C(c1cscc1B(O)O)N1CC[C@H](F)C1	2243409525	JRPLNNWHVDZHDN-LURJTMIESA-N	243.068	-0.388	50	10	BBGE	
O=C(N[C@H](CCO)C(F)F)C1(B(O)O)CC1	2243411676	YFRKQVHRRXGDGS-RXMQYKEDSA-N	237.011	-0.874	50	10	BBGE	
C[C@H](CNC(=O)C1CC(B(O)O)C1)N(C)C	2243413166	ANFFKDIXHZBNAP-AFPNSQJFSA-N	228.101	-0.694	50	10	BBGE	
C[C@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2243414995	MBEZODUWMOHUFK-XSPKLOCKSA-N	227.069	-0.779	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416702	MBEZODUWMOHUFK-HXFLIBJXSA-N	227.069	-0.779	50	10	BBGE	
CN(C)NC(=O)c1cccc(Cl)c1B(O)O	2243508381	FHBVETNNNJCMDO-UHFFFAOYSA-N	242.471	-0.774	50	10	BBGE	
CN(Cc1cc(B(O)O)cs1)C(=O)C(F)F	2243675046	RBRYFRRLMWOLPW-UHFFFAOYSA-N	249.047	-0.349	50	10	BBGE	
C#CCCC(=O)NCc1sccc1B(O)O	2243686136	IEPWDZOKMGJWDN-UHFFFAOYSA-N	237.089	-0.543	50	10	BBGE	
OB(O)C1CCN(C[C@H]2[C@@H]3COC[C@@H]32)CC1	2244175296	AXEQROSIFAXBSB-RTCCRHLQSA-N	225.097	-0.182	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)[C@H]1CCCN1	2244504079	GGSQFZDJDQSFKO-RBXMUDONSA-N	226.085	-0.894	50	10	BBGE	
C[C@H](NC(=O)c1ccc(B(O)O)o1)C1(C)CC1	2247744578	VDHOGDAQTZFEQP-ZETCQYMHSA-N	237.064	-0.122	50	10	BBGE	
CC1(C)CCO[C@@H](CNC(=O)C#CB(O)O)C1	2247747431	NIYIHZHIDXCJBD-SECBINFHSA-N	239.080	-0.677	50	10	BBGE	
C=CCONC(=O)c1ccc(B(O)O)c(C)c1	2247752934	YGUTXZXLJOQOGU-UHFFFAOYSA-N	235.048	-0.478	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)C1(B(O)O)CC1	2247756657	TWDJWOUHNXNZRQ-ZBAQRECISA-N	233.076	-0.380	50	10	BBGE	
C=C1CN(C(=O)c2ccc(F)cc2B(O)O)C1	2247759613	UGSQIYAEYPYANI-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
O=C(N[C@@H](CCO)C1CC1)[C@H]1C[C@@H](B(O)O)C1	2247787782	USVOQZURSMQLEO-AEJSXWLSSA-N	241.096	-0.483	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247792030	QBFAMSFKKLOKBW-YNFQOJQRSA-N	240.112	-0.552	50	10	BBGE	
CC[C@@H]1COCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247797173	GUZLLUVOCWFWLP-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
COCCN(C(=O)C1CC(B(O)O)C1)C1CC1	2247798207	RDECJAYHUAPQDR-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
COCCN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2247800075	KZRLXEHZDPOAIU-NXEZZACHSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1(C)C	2247805322	BHQHTOYRMNAEJQ-HRDYMLBCSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(CC1)CNC2	2247805462	KGIZZIDMUFXACG-IUCAKERBSA-N	238.096	-0.939	50	10	BBGE	
CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247805707	KQQXPTWGINLKBO-UTLUCORTSA-N	240.112	-0.693	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1	2247806918	GTWMVHGQLGCDIX-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCCc1ccno1)C1CC(B(O)O)C1	2247808750	MKMRDTKKTDYMND-UHFFFAOYSA-N	238.052	-0.414	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)[C@@H]1C[C@@H]1B(O)O	2247809073	NLTYMXWYXJUOFE-LRPJSKTQSA-N	239.080	-0.610	50	10	BBGE	
O=C(C#CB(O)O)N1CCO[C@H]2CCCC[C@@H]21	2247847675	AEQJPGLGIIGPSM-UWVGGRQHSA-N	237.064	-0.828	50	10	BBGE	
NC[C@H]1CCC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247851699	IMYGUGWHBOXQME-WOOKNIGNSA-N	240.112	-0.517	50	10	BBGE	
C[C@]1(O)CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247871123	WKHWSRZJHFHLLY-SCZZXKLOSA-N	241.096	-0.197	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)cn1CC	2247875603	YZQBTRWMHNVXHO-UHFFFAOYSA-N	240.068	-0.571	50	10	BBGE	
Cc1nc[nH]c1CNC(=O)C1(B(O)O)CCC1	2247877042	BALUGFLNJMEUHG-UHFFFAOYSA-N	237.068	-0.269	50	10	BBGE	
COC1(CF)CN(C(=O)C2(B(O)O)CCC2)C1	2247879009	PAPMFSYCCZUUTA-UHFFFAOYSA-N	245.059	-0.420	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1CO	2247895773	BNRSOULFVPPWJN-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
O=C(NC[C@@H]1CCCNCC1)[C@H]1C[C@H]1B(O)O	2247898827	IANCUXQWCJOVOV-KXUCPTDWSA-N	240.112	-0.645	50	10	BBGE	
CN(C)[C@@H]1CC[C@@H]1NC(=O)C1CC(B(O)O)C1	2247903769	MOHUDZPXDFUYBW-HORUIINNSA-N	240.112	-0.552	50	10	BBGE	
C=CCC(=O)N(C)Cc1ccc(B(O)O)cc1	2248419430	AJBDZLPNIYDSFG-UHFFFAOYSA-N	233.076	-0.099	50	10	BBGE	
Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2B(O)O)n1	2248585481	MIIADZJCGIKLRS-BQBZGAKWSA-N	236.036	-0.103	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)O)N1C(=O)[C@H]1C[C@H](B(O)O)C1	2248588060	YNXPOEVYRCBAFH-XUTVFYLZSA-N	241.052	-0.687	50	10	BBGE	
O=C(N[C@H]1CCCn2ccnc21)C1(B(O)O)CC1	2255489559	VJKXTANCZVFWNV-QMMMGPOBSA-N	249.079	-0.159	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2255520598	MJOBFMVFHPRBKP-SCZZXKLOSA-N	248.091	-0.320	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@H]2CC=CC[C@H]21	2255679295	GCBCQACINMQQJU-LDYMZIIASA-N	246.075	-0.515	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@H]2CC[C@@H]21	2255717395	JTKJFWHHECRRSF-KCJUWKMLSA-N	246.075	-0.614	50	10	BBGE	
Cc1ccc(C(=O)N=c2cco[nH]2)cc1B(O)O	2255729801	BECGOUXVQOIWSC-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1ccc(C)c(B(O)O)c1	2255736559	PNBVKNSGVQNEAD-LLVKDONJSA-N	243.071	-0.477	50	10	BBGE	
CC#CCCCNC(=O)c1cc(B(O)O)oc1C	2255743740	PCMGKILPYAIKSQ-UHFFFAOYSA-N	249.075	-0.199	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@H]1CC12CC2	2257486746	JBDMUXUKMLMYPX-VIFPVBQESA-N	246.075	-0.648	50	10	BBGE	
C#CCOC[C@H](C)Oc1cc(B(O)O)c(C)cn1	2263801245	MREGPQCFIVNLAA-JTQLQIEISA-N	249.075	-0.513	50	10	BBGE	
C[C@H](Cl)C(=O)NCc1noc(C(N)=O)n1	2296572634	QMUVVZCAZDSXKV-VKHMYHEASA-N	232.627	-0.588	50	10	BBGE	
C[C@H]1C[C@H](O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165405	ZSJJLCRRYFKTBV-XWLWVQCSSA-N	241.335	-0.295	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)CC1	2298371468	LYWAQHCJOLWDLW-IVZWLZJFSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@]2(CO)CC[C@H]1C2	2299769807	JSVBOUPHUQRONK-IONNQARKSA-N	249.261	-0.542	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CC[C@@H]2C[C@@]2(O)C1	2302060122	NDNOESVCLBMHFQ-CKYFFXLPSA-N	241.335	-0.008	50	10	BBGE	
COc1nn(C)cc1CN1CC[C@@H](B(O)O)C1	2303102243	SMZINXSBPCZJBE-SECBINFHSA-N	239.084	-0.523	50	10	BBGE	
OB(O)[C@@H]1CCN(CCOC[C@@H]2CCCO2)C1	2303122567	FDLAVAUUPBHLRW-MNOVXSKESA-N	243.112	-0.269	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1n[nH]cc1B(O)O	2313180435	BWOBXTXZGRVFGZ-LKEWCRSYSA-N	249.079	-0.992	50	10	BBGE	
CNC[C@H](C)CNc1ccc(B(O)O)cc1C#N	2317165603	MHVHZLBLBJMJFE-VIFPVBQESA-N	247.107	-0.495	50	10	BBGE	
CC1(C)[C@H](O)CN1c1ccc(B(O)O)cc1C#N	2317166899	ARPNRANXRAJPQB-LLVKDONJSA-N	246.075	-0.802	50	10	BBGE	
C[C@]1(C#N)CCN(c2cc(B(O)O)c(F)cn2)C1	2320789127	WMFWGGJKWCPFKS-LLVKDONJSA-N	249.054	-0.360	50	10	BBGE	
CC(C)[C@H](C(=O)NN)n1cnc([N+](=O)[O-])c1	82471297	SORIFOCGQXGGQH-SSDOTTSWSA-N	227.224	-0.022	50	10	BBGE	
C[C@@H](CCl)C(=O)NCCc1nnn[nH]1	95225663	SGMWJLMXIKGISX-YFKPBYRVSA-N	217.660	-0.267	50	10	BBGE	
NNC(=O)c1ccc(Cn2cc(C(N)=O)cn2)o1	104102499	RNZDFWLNUGYVIZ-UHFFFAOYSA-N	249.230	-0.773	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCCC[C@@H]1CO	125035453	ZOXRATRKPMFUFR-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CCOC(=O)[C@@H](Br)C(N)=O	144934455	FEPNZIFFIUSWRS-VKHMYHEASA-N	210.027	-0.202	50	10	BBGE	
Cc1cc(CNC(=O)C(=O)NN)ccc1F	148148244	RMZRSEAQCLKZBS-UHFFFAOYSA-N	225.223	-0.260	50	10	BBGE	
CC(C)[C@H](NC(=O)NN(C)C)C(=O)O	149060697	FSIJUKMBUMQNSU-LURJTMIESA-N	203.242	-0.129	50	10	BBGE	
Cc1nn(C)cc1C(=O)NNC(N)=S	227440033	LSGOKWYGQHDTMT-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
CO[C@@H](C)COc1cc(F)cc(B(O)O)c1	228583145	FVABQIGSPHSQKD-ZETCQYMHSA-N	228.028	-0.081	50	10	BBGE	
C[C@H](CC[S@@](C)=O)N1CC(=O)OC(=O)C1	230112669	HKOJBMNKMAJGMN-KWKYVRJSSA-N	233.289	-0.471	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)Cc1cscn1	232419570	JWWLRFOIAHXPPC-MRVPVSSYSA-N	244.320	-0.420	50	10	BBGE	
O=C(NNC1=NCCN1)c1ccccc1	238611174	RPKWYNFGNNSJRT-UHFFFAOYSA-N	204.233	-0.120	50	10	BBGE	
O=C1NC(=O)[C@@]2(CC[C@H](CCCB(O)O)C2)N1	255965373	BSAXZFNLOLNTPG-XVKPBYJWSA-N	240.068	-0.382	50	10	BBGE	
C[C@@]1(c2ccc3c(c2B(O)O)OCO3)CCCN1	258368813	MLQIOGANWVUAFX-LBPRGKRZSA-N	249.075	-0.306	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)CC(N)=O	300748296	DWWSHWYJAFOCTC-YFKPBYRVSA-N	213.686	-0.239	50	10	BBGE	
NNC(=O)c1cccnc1CSCCO	300802523	WMGWSAUDIVSHLI-UHFFFAOYSA-N	227.289	-0.089	50	10	BBGE	
Nc1cc2scc(B(O)O)c2cc1N	307295842	PNQFIGCIJNXZOX-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CN1CCN(C[C@H](Cl)C(=O)O)S1(=O)=O	307452023	UIDIKRSHKKSGAO-YFKPBYRVSA-N	242.684	-0.829	50	10	BBGE	
O=C(CCl)NC[C@H](O)CN1CCCC1	379391024	YWCAFCJUNNRRRW-QMMMGPOBSA-N	220.700	-0.202	50	10	BBGE	
OB(O)c1ccc(N2CCOCC2)cc1F	381308460	LXGYYNBVEBRQAO-UHFFFAOYSA-N	225.028	-0.658	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)c(C#N)c2)cn1	382640345	MVUXNRAGAAAHCE-UHFFFAOYSA-N	227.032	-0.268	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](O)CC[C@@H]1C	399397107	DZPGWAYYNSKNGH-XKNYDFJKSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(CCF)CC1	402785555	PERQSHMKGJLKBK-SNVBAGLBSA-N	246.330	-0.412	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1	403471945	OZOLLMKNQDBKSB-PRJMDXOYSA-N	211.265	-0.471	50	10	BBGE	
C#CCC(=O)Nc1ccc(B(O)O)cc1	404966000	INMWTHBQZIDFAW-UHFFFAOYSA-N	203.006	-0.672	50	10	BBGE	
CC[S@@](=O)N(C)Cc1ccccc1B(O)O	405083377	RAYLSOVIWXPJAZ-MRXNPFEDSA-N	241.121	-0.518	50	10	BBGE	
COc1cc2ccncc2cc1B(O)O	584600153	VDUSVXZZRLOLDM-UHFFFAOYSA-N	203.006	-0.077	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCCN1CCCC(=O)NN	688636835	BXVDGILKMJHJIV-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@H]1CCN(C)C1=O	690215260	YAHCKACBDJLJGP-IUCAKERBSA-N	242.323	-0.837	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2COC[C@@H]2C1	690710879	IBFWABCPRCKYOT-BDAKNGLRSA-N	213.281	-0.665	50	10	BBGE	
CCOC(=O)C(=O)N1CCC(O)(C#N)CC1	692167183	LBHFEQGSVYXLAX-UHFFFAOYSA-N	226.232	-0.573	50	10	BBGE	
C[C@H](CN1CCCC[C@H](CO)C1)C(=O)NN	696781138	UTIWQFGKWYZEMT-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
C[S@@](=O)N1CCCc2cccc(B(O)O)c21	712225072	CVUNTVPSYGFQLB-MRXNPFEDSA-N	239.105	-0.588	50	10	BBGE	
CCc1nc(S[C@H](C)C(=O)NN)n[nH]1	714113794	VCRGPBSZRPSUPH-SCSAIBSYSA-N	215.282	-0.162	50	10	BBGE	
CC(C)OC(=O)NCc1ncc(B(O)O)s1	714591056	VXANSMYNUJRHSI-UHFFFAOYSA-N	244.081	-0.543	50	10	BBGE	
C[C@H]1CCC(=NNC(=O)C(N)=O)CS1	848399461	SKQGMWFAWQFBJD-YFKPBYRVSA-N	215.278	-0.141	50	10	BBGE	
CC1=NO[C@@H](C(=O)NNc2nnc(C)n2C)C1	856045750	JNGLPULHZUSWSD-SSDOTTSWSA-N	238.251	-0.269	50	10	BBGE	
CC[C@@H](C(=O)NNc1nnc(C)n1C)N(C)C	856046649	CYWZPBQDBIBKAZ-QMMMGPOBSA-N	240.311	-0.093	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)[C@H]1CCCO1	905063458	CJFLQGAJQKXCAG-HTRCEHHLSA-N	200.238	-0.031	50	10	BBGE	
C=C(CN)CN1C[C@H](Cl)C(=O)NC1=O	953073860	SUXWTZJNLBOOND-LURJTMIESA-N	217.656	-0.340	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)Cc1ccccn1	1136720999	JVPXKMSCOGOLBA-SSDOTTSWSA-N	223.232	-0.848	50	10	BBGE	
CO[C@H](C)CNC(=O)NNC(=O)c1ncon1	1252825877	BPQKIFZMENSFQA-RXMQYKEDSA-N	243.223	-0.952	50	10	BBGE	
O=C(Cn1ncnn1)NNc1ccc(F)cc1	1290595546	AUIZUUSFTIMTES-UHFFFAOYSA-N	236.210	-0.045	50	10	BBGE	
CCn1ncc(C(=O)NNc2cccnn2)n1	1327853796	ZZSPCSFFUHYXGK-UHFFFAOYSA-N	233.235	-0.155	50	10	BBGE	
CC(C)[C@H](NC(N)=O)C(=O)NN(C)C[C@@H](C)O	1468762857	WMMSJRQJAJZEMG-SFYZADRCSA-N	246.311	-0.977	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NNC(N)=O)CCO1	1886029388	JGCKBAFLDOWFAZ-RITPCOANSA-N	201.226	-0.499	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1O)[C@H]1C[C@H]1Cl	1893470636	VHNJHKXOYCNJGR-YWIQKCBGSA-N	218.684	-0.547	50	10	BBGE	
C[S@](=O)(CCN)=NC(=O)/C=C/C(=O)Cl	1893497989	NTRFDDOBSCYCKS-HSWBROFVSA-N	238.696	-0.109	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)N1CC[C@H](O)C1	1894569908	ACGUWHRLMYRGSO-BQBZGAKWSA-N	242.728	-0.485	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]1C[C@H]2O	1895086137	PFCFVBFLLSTJDL-SQXHDICFSA-N	225.292	-0.933	50	10	BBGE	
NC(=O)C1[C@@H]2CN(C[C@H](O)CCl)C[C@@H]12	1900558575	NAJWXYNNSCNMCB-FSDSQADBSA-N	218.684	-0.751	50	10	BBGE	
CCC=C(C)COc1ncncc1B(O)O	1900840357	MAMLBMQPFFRRIE-UHFFFAOYSA-N	222.053	-0.109	50	10	BBGE	
CC[C@@H]1C[C@@H]1CC(=O)NCCC#CB(O)O	1902767312	CNLSUVQFXNLIQB-NXEZZACHSA-N	223.081	-0.056	50	10	BBGE	
N#Cc1ncn(C[C@H]2CC[C@@H](C(=O)NN)C2)n1	1908358202	MLDZBGRONYSMKJ-JGVFFNPUSA-N	234.263	-0.444	50	10	BBGE	
C[C@@]1(C(=O)N2CCC(O)(C#N)CC2)CCN1	1912873756	MFNLETVSXXWMQQ-JTQLQIEISA-N	223.276	-0.385	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C(=O)NN)C1COC1	1915660924	SEPXMPDVDWCYSS-VXNVDRBHSA-N	213.281	-0.667	50	10	BBGE	
C=C(COC)C(=O)NNC(=O)C(F)(F)F	1923413975	NPBFDHNAJZUONB-UHFFFAOYSA-N	226.154	-0.101	50	10	BBGE	
O=C(NNCCO)c1cccnc1Cl	1929837213	WMZVKPMPNYWJIZ-UHFFFAOYSA-N	215.640	-0.038	50	10	BBGE	
O=C1CN(Cc2ccnnc2)CC(=O)O1	1931693046	WYMJWRYAMRBXBS-UHFFFAOYSA-N	207.189	-0.638	50	10	BBGE	
Cc1csc(CN[S@](C)=O)c1B(O)O	1935197223	TYOZVXZNKFXHOW-AWEZNQCLSA-N	233.123	-0.881	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCN2CC[C@H]1C2	1936085218	PRWMBPDBIFKATC-UTLUCORTSA-N	224.308	-0.998	50	10	BBGE	
CC1(C)[C@@H]2CN(CCOCC(=O)NN)C[C@H]21	1936529167	JZGNDSHGJNKOAP-RKDXNWHRSA-N	227.308	-0.419	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937461450	SKCPRGFESBEUDJ-XFWSIPNHSA-N	227.308	-0.685	50	10	BBGE	
C[C@H](CN1CC[C@@H](C(=O)N(C)C)C1)C(=O)NN	1940303128	KYJNDDIAIQXNHD-RKDXNWHRSA-N	242.323	-0.978	50	10	BBGE	
CC(C)(C)C1(O)CCN(C(=O)C(=O)NN)CC1	1941657829	OUQIBIFMPRUDRI-UHFFFAOYSA-N	243.307	-0.624	50	10	BBGE	
NNC(=O)COCCN1CC[C@@]2(CCOC2)C1	1941772692	MVHMTCFBCPTOAG-LLVKDONJSA-N	243.307	-0.895	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@H]1C[C@@H]1CCl	1955097360	SFQWKQVTTOBUNI-UHNVWZDZSA-N	242.684	-0.196	50	10	BBGE	
CC[C@H](Cl)C(=O)NC[C@@H](O)C(=O)OC	1955557146	DGGBBICRBMNLEJ-NTSWFWBYSA-N	223.656	-0.346	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]2C1	1961695917	KZEXWDPXNPNOFU-OCAPTIKFSA-N	204.038	-0.783	50	10	BBGE	
O=C(NCCC1COC1)c1cccc(B(O)O)c1	1971430491	ZXLVXBHPCUAJMY-UHFFFAOYSA-N	249.075	-0.867	50	10	BBGE	
CC[C@]1(C)CCN1[C@@H](COC)C(=O)NN	1974731581	CUMJLMAWNMOBHM-WCBMZHEXSA-N	215.297	-0.134	50	10	BBGE	
CN(C)NC(=O)NC[C@]1(F)C[C@H](C(=O)O)C1	1976946859	GHEHDJYJZYMGGE-JOTVFPGJSA-N	233.243	-0.035	50	10	BBGE	
CN(Cc1cnco1)C[C@@H]1C[C@@H]1C(=O)NN	1977386825	IWECULHFANDKIN-CBAPKCEASA-N	224.264	-0.268	50	10	BBGE	
N#CC1(O)CCN(C[C@@]2(O)CCOC2)CC1	1980668724	WRRXPSXCTWNGII-NSHDSACASA-N	226.276	-0.512	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCO[C@H](CF)C1	1981248403	LKDRYNQAYUYXEL-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CC(C)(CN1CCOC[C@@H]1CF)C(=O)NN	1985766860	IAOMMYWLJFEPIZ-QMMMGPOBSA-N	233.287	-0.327	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(C)(CSC)C1	1985893967	CVNLFPOOGGXMAE-MRVPVSSYSA-N	247.364	-0.324	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2COC[C@H]2F)[nH]1	1989320150	WGYMOZQSOSQNIX-UHNVWZDZSA-N	247.661	-0.406	50	10	BBGE	
NC(=O)C1(N)CCN(C(=O)[C@H]2C[C@@H]2Cl)CC1	1991680626	RYCUTCMCCJGRRH-BQBZGAKWSA-N	245.710	-0.581	50	10	BBGE	
O[C@H]1[C@H](O)COC12CN(CC1CC(Cl)C1)C2	1991701085	BSDLSXDICGTHOK-BMNUFHGDSA-N	247.722	-0.190	50	10	BBGE	
CN1CCC[C@H](OCCOCC(=O)NN)C1	1992109701	ALUDIUJDGBEORN-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
C=C(CN1CCN(C)C[C@@H]1C(C)C)B(O)O	1992145739	ODBCLWBMBACHRN-LLVKDONJSA-N	226.129	-0.173	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)n1	2000413486	ZDPGCABGFJQKSK-RNLVFQAGSA-N	242.034	-0.146	50	10	BBGE	
COCCCOCc1c(C(=O)NN)cnn1C	2003505475	BWRKTAHVGZOCQO-UHFFFAOYSA-N	242.279	-0.423	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)CCO1	2004916978	SFLWHUNYWCHTNL-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
C[C@H](N(C)c1ncc(B(O)O)cn1)C(F)(F)F	2004918256	JKGXGOPFIKYCOR-YFKPBYRVSA-N	249.001	-0.457	50	10	BBGE	
C[C@@H](COc1ncncc1B(O)O)C1CCC1	2004935924	RTWXTIGDYJJDBX-QMMMGPOBSA-N	236.080	-0.029	50	10	BBGE	
CCC1(C)CN(c2ncc(B(O)O)c(C)n2)C1	2004973487	VRMYKPBTCIQYPW-UHFFFAOYSA-N	235.096	-0.299	50	10	BBGE	
Cc1nc(N2CCOC[C@@H]2C)ccc1B(O)O	2005018653	WTRAITHLFWVWDN-QMMMGPOBSA-N	236.080	-0.705	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)C[C@@H]1[C@@H]2COC[C@@H]21	2006199996	ZBGPVWKTLNHWFE-MFDAYCCISA-N	239.319	-0.563	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)Cc1ncno1	2008883771	UVPBXGXBILXTEP-UHFFFAOYSA-N	249.221	-0.483	50	10	BBGE	
Cc1cc(CN2C[C@H](O)[C@@H]2C)oc1C(=O)NN	2011373753	QKTNNTRALDLKAS-CBAPKCEASA-N	239.275	-0.243	50	10	BBGE	
O=C1NC[C@@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)O1	2013569588	DJQANASCNRVBIQ-ACZMJKKPSA-N	240.215	-0.989	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013925522	JIOGIGVLVOLNGL-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2CCCCC(=O)NN	2014232420	IQQSLPIJRJJDNB-WDEREUQCSA-N	240.351	-0.075	50	10	BBGE	
CC(C)(Oc1ncncc1B(O)O)C(F)(F)F	2018112626	PIKBXVYBRBWZCW-UHFFFAOYSA-N	249.985	-0.124	50	10	BBGE	
CCc1nc(C(=O)NCC=CB(O)O)c(C)o1	2020055796	FCWNUKFAZDRNFV-UHFFFAOYSA-N	238.052	-0.157	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1	2028437933	WLXOIJWHQBUVSZ-RKDXNWHRSA-N	246.075	-0.150	50	10	BBGE	
CN(Cc1cccnn1)c1ccncc1B(O)O	2052493666	XIXDZBHSQCGXSM-UHFFFAOYSA-N	244.063	-0.812	50	10	BBGE	
C[C@@H]1CC[C@@H](n2cnc3c(B(O)O)ncnc32)C1	2055740004	JOYRVGMTERZRKM-HTQZYQBOSA-N	246.079	-0.133	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@@H]3C[C@H](C2)O3)cn1	2077855939	PVJABGIUYBHYOS-AOOOYVTPSA-N	248.286	-0.342	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1B(O)O	2079009917	LXLVPCBTFNMJLB-MKPLZMMCSA-N	245.087	-0.105	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	2079519159	MMQYPWAMOZFTSA-IUCAKERBSA-N	248.091	-0.008	50	10	BBGE	
NNC(=O)C1(CSCC(N)=O)CCC1	2209999181	QPJMCMHDRHPSMH-UHFFFAOYSA-N	217.294	-0.635	50	10	BBGE	
CNC(=O)Nc1ccc(B(O)O)c(F)c1F	2212543463	ZNZDUQKYMIDMDR-UHFFFAOYSA-N	229.979	-0.604	50	10	BBGE	
C#C[C@@H](Nc1ncccc1B(O)O)C1CC1	2212603213	DKZZCDLZKIGCIB-SNVBAGLBSA-N	216.049	-0.415	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCOC2)c1F	2212605333	CAHXMNAAWNCKPI-LURJTMIESA-N	227.000	-0.932	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2OC[C@H]3CCC[C@@H]32)c1	2213224122	YUGCBGOPAQXWPU-MIMYLULJSA-N	236.080	-0.622	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@@H]2CO)CCCC1	2216873068	WGWLEVRGUFMBGW-SNVBAGLBSA-N	239.319	-0.231	50	10	BBGE	
C[C@]1(Nc2ccc(B(O)O)cn2)CCC[C@@H]1O	2217180897	LPLXBJRJNDGACX-ONGXEEELSA-N	236.080	-0.523	50	10	BBGE	
C[C@@H]1CN(c2nccc(B(O)O)c2F)C[C@@H]1C	2217183819	OJOTYQSEYJKWHV-OCAPTIKFSA-N	238.071	-0.007	50	10	BBGE	
CNCCCN(C)c1cc(B(O)O)c(C)cn1	2217185271	ZWMDVZSUXWAGGQ-UHFFFAOYSA-N	237.112	-0.884	50	10	BBGE	
CCN1CC[C@H](Oc2cc(B(O)O)ccn2)C1	2217194917	YOZVHGMSGPDMGP-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cccnc1NCC1=CCNCC1	2217203700	ZEPDTFLICYDGBQ-UHFFFAOYSA-N	233.080	-0.907	50	10	BBGE	
CN(C)C1CC(CNc2ncccc2B(O)O)C1	2223630301	ZFGDAPQTMLKVCE-UHFFFAOYSA-N	249.123	-0.487	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1c1ccc(B(O)O)cn1	2223633955	DFIJPJKJHIPWEN-NXEZZACHSA-N	249.123	-0.675	50	10	BBGE	
Cc1[nH]nc(CNc2ccc(B(O)O)cn2)c1C	2223640238	VQKHYRCMRJUTGT-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
Cc1cnc(N2CC3(CC(O)C3)C2)cc1B(O)O	2223646552	MNCWECCWMWRRMK-UHFFFAOYSA-N	248.091	-0.969	50	10	BBGE	
OB(O)c1cnc(=NC[C@H]2C[C@@H]3CC[C@@H]3C2)[nH]c1	2223668364	WGVPTEHNQKKGML-OWUUHHOZSA-N	247.107	-0.574	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1CO[C@@H]2CNC[C@H]2O1	2241261499	VNWURADURUZQTR-OSMVPFSASA-N	219.668	-0.061	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)s1	2241468188	ISVLMHFLZTURBZ-UHFFFAOYSA-N	213.067	-0.432	50	10	BBGE	
CSC1CN(C(=O)C2(B(O)O)CC2)C1	2241473209	FXGPVMQIFMYPID-UHFFFAOYSA-N	215.083	-0.433	50	10	BBGE	
CO[C@H](CN)C(=O)N[C@H]1C[C@H](Cl)C1	2241654124	SBCKCVQZMBVEQE-FSDSQADBSA-N	206.673	-0.154	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)[C@@H]1C	2242160206	IJZIUYDBTSQZST-BIIVOSGPSA-N	201.270	-0.790	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CC[C@@H]1CCO1	2242550269	YRABLOYNRJNWBH-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCN(C)C	2242824116	UHVVERHLMPKEIN-UHFFFAOYSA-N	224.069	-0.990	50	10	BBGE	
OB(O)c1ccc(SC[C@H]2CCCN2)nc1	2242851736	DELSYBZMIQNCEW-SECBINFHSA-N	238.121	-0.395	50	10	BBGE	
O=C(N[C@]12COC[C@H]1C2)C1(B(O)O)CCC1	2243347570	NXTRMNSIZWLDHF-GMSGAONNSA-N	225.053	-0.711	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1ccoc1B(O)O	2243349500	MKQIKBHFHKACHX-ZETCQYMHSA-N	223.037	-0.416	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCCSCC1	2243357411	WMURFJDXRUKGOJ-VIFPVBQESA-N	241.121	-0.349	50	10	BBGE	
CC[C@@H](C)N(CCO)C(=O)C1(B(O)O)CC1	2243365887	UMRBXDUWPNFUFR-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(Cl)c(O)c1	2243399918	SMYVIFGRHIPHDJ-UHFFFAOYSA-N	239.423	-0.001	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ccoc1B(O)O	2243400212	XLWNXPKACIDEQQ-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ncsc1B(O)O	2243408125	HQELPUICPLZMNI-LURJTMIESA-N	242.109	-0.259	50	10	BBGE	
C[C@H]1CCO[C@@H]1CNC(=O)C1(B(O)O)CC1	2243410957	LBYXTHPUPKCLEU-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
CC(C)(CCN)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243414652	FSSDADNLRKFWRS-ZKCHVHJHSA-N	228.101	-0.517	50	10	BBGE	
CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243414988	LZAWDQKFSMBOJL-CIUDSAMLSA-N	226.085	-0.940	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1cc(B(O)O)sn1	2243415061	NKYFYQPWNHQSHC-CDUCUWFYSA-N	240.093	-0.649	50	10	BBGE	
C#C[C@@H](CC)NC(=O)c1cc(B(O)O)co1	2244204885	BTFGMXWILYNJND-QMMMGPOBSA-N	221.021	-0.899	50	10	BBGE	
C[C@@H](O)CN(C(=O)C#CB(O)O)C(C)(C)C	2244893668	GBECVYZDEDKARZ-MRVPVSSYSA-N	227.069	-0.990	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@H](P(C)(C)=O)C1	2245232756	XMTBGHNYIREXFI-HTQZYQBOSA-N	249.251	-0.354	50	10	BBGE	
Cc1cccc(CNC(=O)C#CB(O)O)c1C	2247738163	NSLHDRYMPLUAOK-UHFFFAOYSA-N	231.060	-0.065	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2247752135	JGTGARVINSXYHG-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1cccc(B(O)O)c1	2247769416	IFYFQIGWHRDUOH-ZETCQYMHSA-N	233.032	-0.873	50	10	BBGE	
C=CC[C@H](CC)NC(=O)c1c[nH]nc1B(O)O	2247782889	YNGMLOVVCJGIFP-ZETCQYMHSA-N	237.068	-0.826	50	10	BBGE	
CC[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247805367	JYGOGPAPLMLLML-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@]12CCNC[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2247807423	IAMLPYKHEPCOPK-CDLYGTGVSA-N	238.096	-0.892	50	10	BBGE	
CN(CC1CCNCC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247810462	XOSMHMPBINMUGE-NXEZZACHSA-N	240.112	-0.693	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247852824	AEBWLYHCPHYDQR-HTQZYQBOSA-N	241.096	-0.341	50	10	BBGE	
CC1(C)C[C@H](O)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247859031	JTPMMVQCOKGDNL-YIZRAAEISA-N	241.096	-0.531	50	10	BBGE	
CCOC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247860635	ZELGYINIYPXQIV-UTLUCORTSA-N	241.096	-0.266	50	10	BBGE	
O=C(NC[C@@]12COC[C@H]1C2)C1CC(B(O)O)C1	2247891602	KTOMTUYFWKOSSY-LURLDICESA-N	239.080	-0.608	50	10	BBGE	
C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)[C@H]1C	2247896241	FMQHXBSTHUTOKL-ABXGFROZSA-N	239.080	-0.121	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@H]2B(O)O)nc1C	2247896912	LXHMKQJVIWPTIP-NKWVEPMBSA-N	236.040	-0.710	50	10	BBGE	
O=C(N[C@@H]1CNCC2(CC2)C1)[C@@H]1C[C@@H]1B(O)O	2247900405	WMMFWEWTLSWWTR-YIZRAAEISA-N	238.096	-0.892	50	10	BBGE	
CC(C)(F)C(=O)NCc1cccc(B(O)O)c1	2248395474	MBKMVDVGNBQFCE-UHFFFAOYSA-N	239.055	-0.269	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1cccc(B(O)O)c1	2248429092	IXMZIEFVPDZAEZ-SECBINFHSA-N	231.060	-0.433	50	10	BBGE	
C[C@@H](O)CC(=O)Nc1ccc(F)c(B(O)O)c1	2248443284	YJRYSMVDIGWRRB-ZCFIWIBFSA-N	241.027	-0.785	50	10	BBGE	
O=C(N[C@H]1CCOC1)N1CCC(B(O)O)CC1	2249344019	VNJXPILEJBAQBH-VIFPVBQESA-N	242.084	-0.576	50	10	BBGE	
O=C(c1cocc1B(O)O)N1C[C@H](F)[C@H](F)C1	2249411848	UPEJJFNBKSHKJF-OCAPTIKFSA-N	244.990	-0.909	50	10	BBGE	
CC[C@H](COC)CC(=O)NCCC#CB(O)O	2249998172	FGMJSRIELBYZBX-JTQLQIEISA-N	241.096	-0.429	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@H]2CC[C@@H]2C1	2255449709	PKKXCFZXDJKKHR-RKDXNWHRSA-N	246.075	-0.757	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C(=O)[C@H]2CCC[C@@H]21	2255452683	ATKWOOVWQGPAAI-YUMQZZPRSA-N	249.031	-0.890	50	10	BBGE	
CC[C@@]1(C)C[C@@H]1NC(=O)c1cncc(B(O)O)c1	2255529165	FQUCRAYZHQPRHY-JQWIXIFHSA-N	248.091	-0.320	50	10	BBGE	
CN(CCc1ccncc1)C(=O)[C@@H]1C[C@H]1B(O)O	2255572235	WYZPSTFNALXCSZ-GHMZBOCLSA-N	248.091	-0.055	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc(B(O)O)c[nH]1	2255679479	MIVSXOMXBBERIU-KHQFGBGNSA-N	248.091	-0.387	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC[C@@H]1C1CC1	2255692709	WCCRRVQBMVTXKK-SNVBAGLBSA-N	249.075	-0.026	50	10	BBGE	
CC1(CNC(=O)c2ncccc2B(O)O)CCC1	2255711265	WQSICKULSFKBTB-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1	2255721025	SHMHXMILCCXPHW-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
O=C(NCc1cnc2n1CCC2)C1(B(O)O)CC1	2255742550	UGKQJKLHKBRCBD-UHFFFAOYSA-N	249.079	-0.548	50	10	BBGE	
O=C(NC[C@@H]1C=CCCC1)c1c[nH]nc1B(O)O	2255789904	OTDYUYSXQFRGDQ-MRVPVSSYSA-N	249.079	-0.824	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2cc(B(O)O)co2)C1	2258130906	NSSDDUZDJJFINF-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]1C2)c1cc(B(O)O)co1	2258136631	MYYFMNWVBDMGOR-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
Cc1nc(NC(=O)c2cc(B(O)O)c[nH]2)oc1C	2263445047	VXLOSMSKIGYYIY-UHFFFAOYSA-N	249.035	-0.448	50	10	BBGE	
C[C@@]1(CCO)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370210	RPKKBWOZFWWNAE-KKZNHRDASA-N	241.096	-0.530	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CC[C@@H]1C2	2298633081	DWQKVHJBZUUVAB-HBNTYKKESA-N	235.092	-0.056	50	10	BBGE	
CC(C)(CN1C[C@H]2CC[C@H]1C[C@@H]2O)C(=O)NN	2300192809	TVPMWGRKMDXQAI-UTLUCORTSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@H]1CN2)C1(B(O)O)CCC1	2302281919	GMPAWIMDMRRIDC-CIUDSAMLSA-N	238.096	-0.750	50	10	BBGE	
CCN1C[C@@H](CN2CC[C@@H](B(O)O)C2)OC1=O	2303098017	SYZAIDXCXUAGPH-RKDXNWHRSA-N	242.084	-0.624	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](C)[C@@H](CO)C1)C(=O)NN	2303413285	IBNYFTHKKOXQBU-CKYFFXLPSA-N	243.351	-0.047	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1cc(B(O)O)c(F)cn1	2303835637	ZSXQYFMEWRKDAZ-IUCAKERBSA-N	240.043	-0.510	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@@H]2CF)[nH]cc1F	2303836652	PCCGOOOMFSXQIU-RNFRBKRXSA-N	242.034	-0.660	50	10	BBGE	
OB(O)c1ccn([C@@H]2CCC[C@H]3CCO[C@@H]32)n1	2307112523	NFLCXRZHHUASTR-NGZCFLSTSA-N	236.080	-0.307	50	10	BBGE	
OB(O)c1cnn([C@@H]2CCC[C@@H]3CCO[C@@H]32)c1	2307263437	YFQWTPDLMPBZBK-IEBDPFPHSA-N	236.080	-0.307	50	10	BBGE	
C[C@@H](CCCO)Nc1ccc(B(O)O)cc1C#N	2317166043	QWJKXQINJSUNNJ-VIFPVBQESA-N	248.091	-0.189	50	10	BBGE	
Cc1cnc(OCC2[C@@H]3COC[C@@H]23)c(B(O)O)c1	2318950787	BJGSZCKGDQJQCP-RKDXNWHRSA-N	249.075	-0.659	50	10	BBGE	
N#CSCC(=O)c1c[nH]c(=O)[nH]c1=O	1675154	IJGWVCBCRLDAOV-UHFFFAOYSA-N	211.202	-0.540	50	10	BBGE	
N#CC1=C(N)n2cnc(C#N)c2N=NN1	34147024	ITMXVAHZOVINIC-UHFFFAOYSA-N	200.165	-0.035	50	10	BBGE	
NNC(=O)C(=O)NCCc1cccs1	34977848	OVCPWBIJOFKTQF-UHFFFAOYSA-N	213.262	-0.603	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1cccs1	35737011	BLHUGQOFUPBPLJ-RXMQYKEDSA-N	213.262	-0.085	50	10	BBGE	
NCC(=O)N1C[C@@H](CBr)OC1=O	82330759	ZXEBUQNSQCBUJL-SCSAIBSYSA-N	237.053	-0.313	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC(N(C)C)CC1	82467661	KSLRNCLSGWKSEZ-MRVPVSSYSA-N	214.313	-0.609	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCNCC1	82470534	USKKTJMBFMCADS-QMMMGPOBSA-N	200.286	-0.950	50	10	BBGE	
COCCN(C)Cc1csc(C(=O)NN)n1	82470605	HBRUCVRBUHVTGO-UHFFFAOYSA-N	244.320	-0.175	50	10	BBGE	
CCn1c(SC[C@H](C)C(=O)NN)n[nH]c1=O	82472682	QRQGZENEDBDJHX-YFKPBYRVSA-N	245.308	-0.691	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CN1CC[C@@H](O)C1	110580500	HYBXQTLBBBNESU-SECBINFHSA-N	239.275	-0.242	50	10	BBGE	
CN(C)CCN(C)Cc1cc(C(=O)NN)co1	111152457	AMVGFIVALGDNOJ-UHFFFAOYSA-N	240.307	-0.124	50	10	BBGE	
O=C(CSc1ccncc1)NCB(O)O	169879828	OFFGBNBXADEGEB-UHFFFAOYSA-N	226.066	-0.698	50	10	BBGE	
CN(C)CCN(C)Cc1cccc(B(O)O)c1	203423311	VUTLLPRFQQPPDA-UHFFFAOYSA-N	236.124	-0.640	50	10	BBGE	
CCN(CC(N)=O)Cc1cc(C(=O)NN)co1	231828627	ARBKEHUXXZTXMX-UHFFFAOYSA-N	240.263	-0.810	50	10	BBGE	
COC[C@H](SC[C@H]1CCCO1)C(=O)NN	234714546	HWOJCJQBNOLQOZ-SFYZADRCSA-N	234.321	-0.097	50	10	BBGE	
OB(O)c1cncc(-c2cnccn2)c1	238657426	DGEQPTRNRNBDOA-UHFFFAOYSA-N	200.994	-0.782	50	10	BBGE	
COc1ccc(C)cc1C[C@@H](N)C(=O)NN	259083830	ZWFHZTMOKDWGNW-SECBINFHSA-N	223.276	-0.137	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCC(N)CC1	302421010	UHJYRBGQMNGSHQ-UHFFFAOYSA-N	249.318	-0.392	50	10	BBGE	
C[C@H](CO)Nc1nc(N)nc(CCl)n1	306613062	KAIVHJQXKNXCKG-SCSAIBSYSA-N	217.660	-0.015	50	10	BBGE	
NC(=O)C(=O)NN=Cc1ccc(Cl)nc1N	309633865	RUOWUALTVQAZGL-UHFFFAOYSA-N	241.638	-0.747	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C)(C)C1	309684203	BHKDKWOGBIOIKK-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)CCCCN1CCC[S@@](=O)CC1	321903470	QQNDQJRWBILDCC-MRXNPFEDSA-N	247.364	-0.399	50	10	BBGE	
COc1c(B(O)O)cnc2cc3c(cc12)OCO3	383815733	DIBKSNATSXOMNP-UHFFFAOYSA-N	247.015	-0.348	50	10	BBGE	
Nc1ccc2cc(CO)sc2c1B(O)O	396239458	GBWGYTDYCMAVHH-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H]1COCCN([C@@H](C)[C@@H](C)C(=O)NN)C1	399638668	GDCOTFJGGHTFBH-AEJSXWLSSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H](C)C[S@](C)=O	399928508	XATAOYXUHZTISX-LGXQJMGHSA-N	249.380	-0.300	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@@](CO)(OC)C1	402853660	OUJRCWDWBREGQW-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
COC(=O)Nc1cc(B(O)O)ccc1OC	405187557	PNFNQFRSIKTTBK-UHFFFAOYSA-N	225.009	-0.447	50	10	BBGE	
OCc1c(F)cc(S)cc1B(O)O	575706161	SIAPIXBIWMJSNF-UHFFFAOYSA-N	202.015	-0.714	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)NN)C1=O	606275014	CPDHWRLJYYUBHN-LURJTMIESA-N	200.242	-0.831	50	10	BBGE	
Cc1cc(B(O)O)c(CC(=O)O)s1	642886328	CFHNVISOCLIUTE-UHFFFAOYSA-N	200.024	-0.637	50	10	BBGE	
NNC(=O)C(F)(F)CO[C@H]1CCOC1	685956977	OIYQMQJPSCNIIJ-YFKPBYRVSA-N	210.180	-0.583	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)C[C@H](O)CN(C)C	690197936	FGXQIWXRYVDMMD-JGVFFNPUSA-N	222.716	-0.005	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cnn[nH]2)CC1	692108638	WFGVKSMIVAVIPP-UHFFFAOYSA-N	221.220	-0.705	50	10	BBGE	
C[C@]1(C2CC2)CN(CCC(=O)NN)CCO1	694832382	DSCMZRKVHXKNLQ-LLVKDONJSA-N	227.308	-0.133	50	10	BBGE	
CCN1CC[C@@H](N(CC)CC(=O)NN)C1	694922439	LGZZWVQSWKYDEY-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
O=C1C[C@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)CN1	703425531	QTQCUFAPCMAFSH-FXQIFTODSA-N	238.243	-0.961	50	10	BBGE	
O=C(COC1CC1)Nc1cccc(B(O)O)c1	716963632	LJJJVRKYHNACEY-UHFFFAOYSA-N	235.048	-0.516	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1Cl)C1=NCN=C1	725690792	RAUPIOXKUAEJKN-NKWVEPMBSA-N	229.667	-0.018	50	10	BBGE	
NC(=O)CC(=O)NN=c1cc[nH]cc1Cl	768444641	SOSVTIONFRPIJT-UHFFFAOYSA-N	228.639	-0.525	50	10	BBGE	
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NN	825645354	XVLHRRSMYBRBMZ-RNFRBKRXSA-N	231.321	-0.076	50	10	BBGE	
CC#CCNC(=O)NNC(=O)[C@@]1(C)CCCO1	836377043	MDHDMRLSHDHBLG-LLVKDONJSA-N	239.275	-0.091	50	10	BBGE	
CN[C@H](C)CNS(=O)(=O)CBr	850587917	NWRDJQZOMBJRBU-RXMQYKEDSA-N	245.142	-0.134	50	10	BBGE	
NC(=O)CC(=O)NNCC(F)(F)C(F)(F)F	863095104	GZMRNQHVTURDNP-UHFFFAOYSA-N	249.139	-0.320	50	10	BBGE	
COCCOCC(=O)NNC(=O)/C=C\C1CC1	869910552	UUNUMILFEDYHSL-PLNGDYQASA-N	242.275	-0.237	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)NNC(=O)C(C)(C)O)C1	907628043	VAQJXPQMPSJELY-BQBZGAKWSA-N	230.264	-0.670	50	10	BBGE	
COC(=O)C(=O)NN=C1CO[C@H](C)[C@@H]1C	1118228732	UHJHDAHVUATQDY-NTSWFWBYSA-N	214.221	-0.314	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)[C@H](C)C#N)n[nH]1	1143273097	OHCOYBQPQCSSRA-ZCFIWIBFSA-N	235.247	-0.432	50	10	BBGE	
O=C(CCO)NN=C1C[C@H]2CCCN(C1)C2	1350692082	CAIVJRYDGGLZFB-SECBINFHSA-N	225.292	-0.043	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc(CO)on1	1544265303	KPKJVBMPVKKKIE-UHFFFAOYSA-N	228.208	-0.917	50	10	BBGE	
N[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1Br	1877411414	JXPPOFGUMKQCBE-MOJAZDJTSA-N	219.082	-0.014	50	10	BBGE	
CN(C)S(=O)(=O)NCC#CCCl	1880676039	PXHXWOXSBSNFDH-UHFFFAOYSA-N	210.686	-0.375	50	10	BBGE	
C=C(Cl)CONC(=O)[C@H]1C[C@@H]1B(O)O	1886305037	GJXLGTYHRKGMOX-WDSKDSINSA-N	219.433	-0.350	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1CCOC[C@@H]1CO	1890043766	DGWWKFTYZNLAET-BQBZGAKWSA-N	243.712	-0.501	50	10	BBGE	
CCN(C)CCN1CC[C@H](B(O)O)C1	1891517185	MCNPTQDLSNQOMJ-VIFPVBQESA-N	200.091	-0.513	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(F)F	1892436091	JWNJOROUEXYRCV-UHFFFAOYSA-N	209.196	-0.649	50	10	BBGE	
Cn1[nH]c(=NC[C@@H]2C[C@@H]2Cl)nc1CO	1893099412	OUESWJBQWVMFCQ-WDSKDSINSA-N	216.672	-0.232	50	10	BBGE	
CC[C@@H](NC(=O)C=CC(=O)Cl)C(N)=O	1893410059	FAQSHDGHCRDAHG-RXMQYKEDSA-N	218.640	-0.312	50	10	BBGE	
N[C@@]12C[C@H]1CN(C(=O)C=CC(=O)Cl)C2	1893410893	PGUHCDIBTHTVJT-IMTBSYHQSA-N	214.652	-0.132	50	10	BBGE	
NC(=O)NC(=O)CNCC1CC(Cl)C1	1893509574	OPJYWHPWRLLXKX-UHFFFAOYSA-N	219.672	-0.212	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@H]2[C@@H](O)C[C@@H]21	1895649656	IVXQNOUCLPBPQW-ACZMJKKPSA-N	235.234	-0.933	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(CCOCC(=O)NN)C[C@@H]21	1898079785	BPOOPRZGMATJJM-OPRDCNLKSA-N	227.308	-0.419	50	10	BBGE	
Cc1nc(N2CC[C@@H]3C[C@@H]32)ncc1B(O)O	1899253719	PMYRLNBSPXFIAH-APPZFPTMSA-N	219.053	-0.937	50	10	BBGE	
N#CC1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	1900500830	DGEKBMTVNFSZNF-NXEZZACHSA-N	222.292	-0.152	50	10	BBGE	
CC(C)(CCN1CC[C@@H](F)C1=O)C(=O)NN	1901638584	XNVWYHHDXNZIEX-SSDOTTSWSA-N	231.271	-0.037	50	10	BBGE	
OB(O)c1csc(CN2C[C@H]3CCC[C@H]32)n1	1902643207	XVPLGECZAHHIIX-HTQZYQBOSA-N	238.121	-0.193	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@@](F)(CO)C1	1917086134	DTIMUUKNRMCIHU-XKSSXDPKSA-N	233.287	-0.593	50	10	BBGE	
CN1CC[C@H](NNC(=O)C(F)(F)F)C1=O	1923408442	HRJPOTIBXHXYGY-BYPYZUCNSA-N	225.170	-0.600	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](O)[C@H](F)C1	1927867627	WJARTPOMASFACC-SFYZADRCSA-N	219.260	-0.839	50	10	BBGE	
CC#CC[C@@H](NC(=O)NN(C)C)C(=O)O	1928170504	KRHKUDVKEQZJPU-SSDOTTSWSA-N	213.237	-0.371	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2[C@H](C1)C2(F)F	1931858734	UOBMYPGEFDYEMD-RITPCOANSA-N	205.208	-0.437	50	10	BBGE	
CO[C@@H]1COC[C@@H]1CNS(=O)(=O)CCl	1933412703	IBXNMGGSDKXMBQ-NKWVEPMBSA-N	243.712	-0.237	50	10	BBGE	
NNC(=O)C(F)(F)CSc1nccnc1N	1935931334	YTFNFHMEQIESBQ-UHFFFAOYSA-N	249.246	-0.224	50	10	BBGE	
CCn1ccn(CC(F)(F)C(=O)NN)c1=O	1935942557	RYPCYEGCSUYEKI-UHFFFAOYSA-N	234.206	-0.705	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@H]1C[C@H]1C(=O)NN	1936093979	JFOLLMNHIUHHPL-IWSPIJDZSA-N	227.308	-0.542	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](NCCN2CCOCC2)C1	1937205312	UNYKIFZHNIIBRD-QWRGUYRKSA-N	247.770	-0.170	50	10	BBGE	
C[C@@H](CN1CCC2(CCO2)CC1)C(=O)NN	1939944127	COVUWKJFEFKCGG-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CCN(CCCN(C)C)C[C@@H]1C[C@H]1C(=O)NN	1941092449	ADIRYHOCEUHWOB-WDEREUQCSA-N	242.367	-0.114	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@@H]1CCCO	1944159851	DIECXQBSYVHAPY-AXFHLTTASA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C(=O)NC[C@]12CCCC[C@@H]1OCC2	1944195108	PGOYTWLOBUOLFD-GZMMTYOYSA-N	241.291	-0.558	50	10	BBGE	
C[C@@H](CN1CCCN(C)C(=O)CC1)C(=O)NN	1947187181	NWFIBRBFOBWHPJ-VIFPVBQESA-N	242.323	-0.833	50	10	BBGE	
C[C@]1(CO)CCN1Cc1occc1C(=O)NN	1947984958	CDYZULPUAXEYIY-LLVKDONJSA-N	239.275	-0.160	50	10	BBGE	
CN1C[C@H](Cl)[C@H](N=c2[nH]nco2)C1	1954866031	UQHWENVJSQMJLE-NTSWFWBYSA-N	202.645	-0.175	50	10	BBGE	
C[C@H]1CCN(c2nc(B(O)O)cs2)C1	1956966475	VRLRFEUJKPFCNB-LURJTMIESA-N	212.083	-0.331	50	10	BBGE	
C[C@H]([C@@H]1CCCOC1)N(C)CC(=O)NN	1960969757	ARXXURDCEROBDK-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1CC(=O)NN	1961310297	HYHBNDMNWRYAKM-VIFPVBQESA-N	214.313	-0.752	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC12COC2	1961512435	FPMHRQSGIFZUCM-MRVPVSSYSA-N	213.281	-0.380	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@@H]1CCO[C@@H]1C(N)=O	1962122135	WHLKCRXBGKBCGR-XVMARJQXSA-N	234.683	-0.237	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CC(=O)NC(=O)[C@H]1C	1962389315	DAEWFBHJQJPYNM-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
CN(CCC(=O)NN)C1(C)CCOCC1	1962435415	AKGIERIVFSKPBP-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
N#CCNC(=O)c1cc(B(O)O)ccc1Cl	1968473906	QKYAAZPXGSGGHE-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
O=C1CN([C@]23COC[C@@H]2C3(F)F)CC(=O)O1	1977407725	VPYGXKOKBWDSNQ-YLWLKBPMSA-N	233.170	-0.594	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	1980226964	GAEPASIRLZYIOU-OPRDCNLKSA-N	226.324	-0.611	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2CCO[C@H]2C1	1981242241	KXCRDKUCCKILBZ-QEYWKRMJSA-N	227.308	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCOC[C@@H]1F	1987226748	ZAVSLHRUJOKIAM-YIZRAAEISA-N	233.287	-0.186	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H](C2(O)CC2)C1	1987340952	OZPUEOCPSRRFRR-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCO[C@H](C(=O)O)C1	1990345668	HLKLPVDJAKFKQC-RQJHMYQMSA-N	231.252	-0.606	50	10	BBGE	
CO[C@H]1C[C@@H](N(C)CC(=O)NNC(C)=O)C1	1990774920	PCIMYNHKAMAHET-DTORHVGOSA-N	229.280	-0.737	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)OC[C@H]1C	1990775565	XFNABPOKPKOFCD-HTQZYQBOSA-N	229.280	-0.737	50	10	BBGE	
C=C(Cn1cnc2c(c1=O)CCC2)B(O)O	1992160209	UJTCIONOBGCYNQ-UHFFFAOYSA-N	220.037	-0.700	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)O2	1992327165	VNIVDZKNWWYJAX-HRDYMLBCSA-N	227.308	-0.136	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H]2COC[C@H]21	1992337759	KBAYFDCVBQHKNF-VHSXEESVSA-N	227.308	-0.133	50	10	BBGE	
C[C@@H](CN1CCc2nnccc2C1)C(=O)NN	1998249916	MHPAEKSVNHRBNX-QMMMGPOBSA-N	235.291	-0.539	50	10	BBGE	
NNC(=O)c1coc(CN2CC=C[C@H](O)C2)n1	2000934013	KKHJLSUHFFBLND-ZETCQYMHSA-N	238.247	-0.989	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1CC1CC1	2004919382	YHNJTIWNXACJKH-VIFPVBQESA-N	233.080	-0.465	50	10	BBGE	
O=C(Nc1ccc(F)c(B(O)O)c1)[C@H]1C[C@@H]1F	2006988115	JTOHLMFSFAVSOK-RCOVLWMOSA-N	241.002	-0.198	50	10	BBGE	
CO[C@H]1COC[C@@H]1N(C)CC1(C(=O)NN)CC1	2008155570	OAFZPCXEFIVQDI-IUCAKERBSA-N	243.307	-0.898	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](C2(O)CC2)C1	2013925658	JMDQHVKMNKQEKG-VHSXEESVSA-N	241.335	-0.152	50	10	BBGE	
CN1C[C@H](N(C)CCCC(=O)NN)CCC1=O	2014821367	PTWOTKOZBYRMKI-SECBINFHSA-N	242.323	-0.691	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ncc(F)cc1B(O)O)C2	2014930140	PQEVJUQIVORRRD-RDDDGLTNSA-N	236.055	-0.253	50	10	BBGE	
Cc1ccc(O)cc1C(=O)NCC=CB(O)O	2020058296	FZUGITXWBZEYHR-UHFFFAOYSA-N	235.048	-0.001	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2C[C@H]2[C@H]1CO	2021739780	NSHMAXURUPTJEP-XLPZGREQSA-N	249.261	-0.686	50	10	BBGE	
CN1CCC[C@H]1C(=O)Nc1ccc(B(O)O)cc1	2034001927	POVMBFSESFQCDL-NSHDSACASA-N	248.091	-0.601	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@@H]2C[C@@H]21	2051853171	FUELUKOATGVOTL-QWHCGFSZSA-N	247.103	-0.352	50	10	BBGE	
Cc1ncnc(N2CCC3(CCC3)C2)c1B(O)O	2052558737	FXEUDVCYHYQDQE-UHFFFAOYSA-N	247.107	-0.155	50	10	BBGE	
OB(O)c1ccc(-n2cnc3c2CCCC3)nc1	2052600800	CAOJNBKXGCXVBU-UHFFFAOYSA-N	243.075	-0.174	50	10	BBGE	
Cc1ncc(B(O)O)c(N2[C@H]3CCC[C@H]2CC3)n1	2052622337	SOIUMTBZRQHLFX-UWVGGRQHSA-N	247.107	-0.014	50	10	BBGE	
CCc1cc(OC)c(C=O)cc1B(O)O	2060167580	SMRKTAYYFKYHDQ-UHFFFAOYSA-N	208.022	-0.250	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1ccc(B(O)O)cn1	2211060231	UZJYKQKLULODEY-XCBNKYQSSA-N	225.028	-0.112	50	10	BBGE	
C[C@@H](CN(C)C)Oc1cc(B(O)O)ccn1	2212608054	GWIDDXMQGQLZTA-QMMMGPOBSA-N	224.069	-0.910	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCCOC2)c1	2212608496	SUVWVWNBTIOTGW-VIFPVBQESA-N	223.037	-0.681	50	10	BBGE	
OB(O)c1ccc(N2C[C@H]3C=C[C@H]2C3)nc1	2212613308	UHGKJIVJGQKKTQ-WPRPVWTQSA-N	216.049	-0.474	50	10	BBGE	
CN(C)[C@H]1CN(CCCC(=O)NN)CC12CC2	2215133549	OEYWMAZXJGWMDC-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
Cc1cnc(OCCOC2CC2)cc1B(O)O	2217171271	CQMHPOGOBQMZHX-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
C[C@@](CO)(Nc1ncccc1B(O)O)C(F)F	2217171798	FJLZIGACFQUDNV-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ncccc2B(O)O)[C@@H](C)O1	2217174252	XYIKNBQWWDYHIM-MRTMQBJTSA-N	236.080	-0.261	50	10	BBGE	
Cc1cnc(N[C@H](C)C(C)(C)O)cc1B(O)O	2217185117	YNOADLUGYUSEJL-MRVPVSSYSA-N	238.096	-0.359	50	10	BBGE	
COC[C@]1(C)CCN1c1cc(B(O)O)ccn1	2217195842	AGBVQXLIZMZGCF-NSHDSACASA-N	236.080	-0.623	50	10	BBGE	
CC(C)(O)[C@H]1CCN1c1ncccc1B(O)O	2217199385	LWUFLEGTESRDMB-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
Cc1ncnc(N(C)C[C@@H]2CC[C@H]2C)c1B(O)O	2220611632	GBOUKLVRKZALLZ-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
CC1(C)C[C@H](CN)CN1c1ncccc1B(O)O	2223632378	IZBMHOCEKWYAIU-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2CNCC23CC3)c1	2223654456	NGYSCNNNULXBSA-SECBINFHSA-N	248.091	-0.860	50	10	BBGE	
C[C@H](Nc1ncc(B(O)O)cn1)c1ccccn1	2223668086	WQXURQNSQRZZFR-QMMMGPOBSA-N	244.063	-0.276	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCC[C@@H]1NCC2	2223671422	LTGUHUNPGUGCPH-CMPLNLGQSA-N	247.107	-0.542	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1C[C@H]2CC[C@H]1O2	2223677652	QOLRNEMJEHSMQA-OUAUKWLOSA-N	248.091	-0.483	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC(O)(CCO)C1	2241808098	KQSIMKXZXDXZPF-SSDOTTSWSA-N	221.684	-0.041	50	10	BBGE	
C=CCOc1cc(B(O)O)c(Cl)cn1	2242392440	WHSLBXWHKAXDBK-UHFFFAOYSA-N	213.429	-0.020	50	10	BBGE	
C[C@H](F)CCNC(=O)c1cc(B(O)O)cs1	2243377797	HECCVIGQMCEFAX-LURJTMIESA-N	245.084	-0.094	50	10	BBGE	
C[C@@]1(NC(=O)[C@H]2C[C@H](B(O)O)C2)CCOC1	2243390794	BMDHJWHKMROUNV-NQMVMOMDSA-N	227.069	-0.465	50	10	BBGE	
C#C[C@@H](NC(=O)C1CC(B(O)O)C1)C1CC1	2243390987	FAJTYJVDSLSWLR-UDNWOFFPSA-N	221.065	-0.233	50	10	BBGE	
O=C(NCc1cccnc1)[C@H]1C[C@@H]1B(O)O	2243391191	HPVDMBJYRMUEBL-IUCAKERBSA-N	220.037	-0.439	50	10	BBGE	
Cc1cc(=NC(=O)C2CC(B(O)O)C2)[nH][nH]1	2243396318	KQTKQCLYYPCTLF-UHFFFAOYSA-N	223.041	-0.668	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N(CCO)C1CCC1	2243396766	QMLBMRNAFGDBLP-IUCAKERBSA-N	227.069	-0.777	50	10	BBGE	
O=C(NC1(CO)CCCC1)[C@H]1C[C@@H]1B(O)O	2243396951	SVLCGDOURZYTQL-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccsc1B(O)O	2243408878	WYWGRSQAMPYTKU-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)[C@H]1C[C@@H]1B(O)O	2243420382	RIRRTTDJFWMCDJ-VHHQKCPSSA-N	225.053	-0.857	50	10	BBGE	
CC#CC(=O)Nc1ccc(B(O)O)c(C)c1	2243685622	YQBWTVRJFDITTR-UHFFFAOYSA-N	217.033	-0.363	50	10	BBGE	
C#CC[C@H](C)C(=O)N[C@@H]1CCC=C1B(O)O	2243713458	WMHSEUCSOMRGMP-WCBMZHEXSA-N	221.065	-0.137	50	10	BBGE	
NNC(=O)COC1(c2ccccc2)COC1	2245010842	HUAOMNMLHKLSKT-UHFFFAOYSA-N	222.244	-0.081	50	10	BBGE	
CC1(NC(=O)c2coc(B(O)O)c2)CC=CC1	2247733882	DRZNIBQOTLZFSO-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	2247744856	YVBOIOBHIXHRTP-ORMBPQIASA-N	233.076	-0.495	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cc1F	2247752086	IGXFAEALMFZATR-LDWIPMOCSA-N	237.039	-0.356	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247785882	RTZTWNUJBKLTMV-DTORHVGOSA-N	237.068	-0.379	50	10	BBGE	
CCC1CC(NC(=O)c2n[nH]cc2B(O)O)C1	2247786345	ZDTKDCGZWIXOEN-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
C[C@](O)(CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C1CC1	2247786430	APFXBDCCUYLVQX-NMLBEHRDSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@]12CCNC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786880	IAMLPYKHEPCOPK-REIXXSIJSA-N	238.096	-0.892	50	10	BBGE	
N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2B(O)O)cn1	2247798983	YVAOYAAOJVIBRT-RKDXNWHRSA-N	231.020	-0.245	50	10	BBGE	
CC(C)O[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247806051	CZKKXJYYNBIUOR-BBBLOLIVSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CNC(=O)C1CC(B(O)O)C1	2247806189	MRUFJNMHKNYEBU-SEZDTBSWSA-N	241.096	-0.219	50	10	BBGE	
COC[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247807404	HWWLZXFGBAYKTM-DOLQZWNJSA-N	241.096	-0.362	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2247809642	QJGXRJIIWUYDSM-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1O2	2247847794	BROBNYMXVCZPOV-DOLQZWNJSA-N	237.064	-0.926	50	10	BBGE	
CC1(C)CC(NC(=O)C#CB(O)O)(C(F)F)C1	2247848135	HPXMAHGLRLFAIB-UHFFFAOYSA-N	245.034	-0.058	50	10	BBGE	
O=C(NC[C@@H]1CC=CCO1)C1(B(O)O)CCC1	2247854091	XGDJMYUYFLOIIX-VIFPVBQESA-N	239.080	-0.155	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@H]2NCC[C@@H]2C1	2247859148	KNXBNZQZSKCHBW-SEZDTBSWSA-N	238.096	-0.940	50	10	BBGE	
CC1(C)C[C@]1(C)NC(=O)c1ccoc1B(O)O	2247868017	PAOFDBUPMFMSPN-NSHDSACASA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2247872302	PYUSSDLGDNVPPS-QMSLJYSESA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1c[nH]nc1B(O)O	2247893826	YZAGCNCDRAWIBG-RNFRBKRXSA-N	237.068	-0.898	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247895120	OUYVDGWNKWGKKA-DTORHVGOSA-N	241.096	-0.123	50	10	BBGE	
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@H]1CN	2247899086	KHGKZTIMHMKHML-KYXWUPHJSA-N	240.112	-0.707	50	10	BBGE	
CC(C)N(CCN(C)C)C(=O)[C@H]1C[C@H]1B(O)O	2247900497	XJUKWPUPGPZNRJ-VHSXEESVSA-N	242.128	-0.352	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)C1CC(B(O)O)C1	2247904970	SAGVUIQGXHPYLS-UHFFFAOYSA-N	243.112	-0.284	50	10	BBGE	
O=C(NCC12CC(CO1)C2)C1CC(B(O)O)C1	2247909341	IRNVHBZERUFVTB-UHFFFAOYSA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1CC[C@@H](COc2ncc(B(O)O)cn2)C1	2248000660	JUHFEWKPAXXTCC-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
C[C@H](O)CC(=O)Nc1ccc(F)cc1B(O)O	2248441245	FLPHBNUQKSSNGM-LURJTMIESA-N	241.027	-0.785	50	10	BBGE	
CN(CCCC(=O)O)C(=O)[C@H]1C[C@H](B(O)O)C1	2248578485	UBNMVHDJPKXCDX-ZKCHVHJHSA-N	243.068	-0.437	50	10	BBGE	
O=C(O)[C@@H]1C=CCCN1C(=O)C1(B(O)O)CC1	2248586838	IBRXFBMOMHFXAK-ZETCQYMHSA-N	239.036	-0.765	50	10	BBGE	
C[C@@H](CF)N(C)Cc1c(C(=O)NN)cnn1C	2249276999	IRYLFZHLSBNXOS-ZETCQYMHSA-N	243.286	-0.187	50	10	BBGE	
COc1nc(O[C@@H]2C=CCC2)ncc1B(O)O	2249281330	ZYILCWQBZLQTQE-SSDOTTSWSA-N	236.036	-0.738	50	10	BBGE	
C[C@H](CCN(C)C)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2250964742	KDQZAYMUPQHJDW-KXUCPTDWSA-N	242.128	-0.352	50	10	BBGE	
COCc1ccc(CNC(=O)C#CB(O)O)cc1	2255466879	FZVZJZCQBRXHJL-UHFFFAOYSA-N	247.059	-0.535	50	10	BBGE	
CC1=CCCC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255476808	QCRIUVZUZJKRJJ-SNVBAGLBSA-N	248.091	-0.077	50	10	BBGE	
CC1CC(N(C)C(=O)c2ncc(B(O)O)cn2)C1	2255477821	FPPQAVCGMKUDTG-UHFFFAOYSA-N	249.079	-0.973	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1cncc(B(O)O)c1	2255517757	FSACBZGTWAZJIG-GZMMTYOYSA-N	248.091	-0.368	50	10	BBGE	
CC1(C)CC(NC(=O)c2ncncc2B(O)O)C1	2255520822	OZCPESNYBOSNAK-UHFFFAOYSA-N	249.079	-0.925	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2CCCC[C@H]21	2255726693	GLTRKOGXTFKVIQ-PSASIEDQSA-N	249.075	-0.026	50	10	BBGE	
C[C@@]12CC[C@H]1CN(C(=O)c1coc(B(O)O)c1)C2	2255733635	ODQAYQJERMMOGP-CABZTGNLSA-N	249.075	-0.169	50	10	BBGE	
CN(CCC#N)C(=O)Nc1ccc(B(O)O)cc1	2255907888	JQSPLTLGSBIWMV-UHFFFAOYSA-N	247.063	-0.256	50	10	BBGE	
CCn1cc(NC(=O)c2cc(B(O)O)co2)cn1	2258129114	TVSOULOLXPAELT-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
O=C(NCCC#CB(O)O)c1noc2c1CCC2	2258956151	WGCNZACIWGEGJK-UHFFFAOYSA-N	248.047	-0.701	50	10	BBGE	
Cc1cnc(N[C@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2298224648	VIXIOQVKDYGZJF-SWPVVBRQSA-N	234.064	-0.731	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCC[C@@H]1O	2298370488	AEVXTPMCYNKZRR-IMSYWVGJSA-N	241.096	-0.389	50	10	BBGE	
CC[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298371891	YWOXCLBWZJBMSI-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)[C@H]1C[C@H](B(O)O)C1	2298559475	CPBRKKIUFNEFIB-WLRJLXCNSA-N	239.080	-0.467	50	10	BBGE	
CC[C@@]1(C)[C@@H](O)CCN1CC(=O)NNC(C)=O	2299872813	KZUIKOLFVXCDJP-ONGXEEELSA-N	243.307	-0.611	50	10	BBGE	
C[C@@H](CC(=O)NN)OC[C@H]1COC(C)(C)CO1	2300922084	VZPCTIACUDTDCX-IUCAKERBSA-N	246.307	-0.035	50	10	BBGE	
CC[C@](C)(CN(C)CCC(=O)NC)C(=O)NN	2303424511	SBPCDFRFNARANP-LLVKDONJSA-N	244.339	-0.540	50	10	BBGE	
Cc1ncnc(OCC2CC(F)C2)c1B(O)O	2307274208	HKRIEVSJIKIOHK-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
CC1(N)CC(Nc2ccc(B(O)O)cc2C#N)C1	2317161827	OGTKWDSECIAZOQ-UHFFFAOYSA-N	245.091	-0.470	50	10	BBGE	
C=C1C[C@H]1C(=O)NCCc1cccc(B(O)O)c1	2319253556	WELOWJXMGIUOBY-GFCCVEGCSA-N	245.087	-0.399	50	10	BBGE	
NNC(=O)CN(CCO)C1CCCCC1	58839755	DGTBMTFFBPWVME-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
C[C@@H](CCC(=O)NN)Sc1nnc(N)n1C	82473348	OVMJCCWTYWTJFK-YFKPBYRVSA-N	244.324	-0.352	50	10	BBGE	
N#Cc1ncn(Cc2occc2C(=O)NN)n1	111236996	WNYKBPMCSXKWFD-UHFFFAOYSA-N	232.203	-0.605	50	10	BBGE	
O=C(C(Cl)Cl)N1CCN(CCO)CC1	169912298	ZSAXZHUMNZNMQZ-UHFFFAOYSA-N	241.118	-0.073	50	10	BBGE	
COC[C@H](C)OCc1ccc(B(O)O)cc1	203551324	BAUWDTYNFGBCQU-VIFPVBQESA-N	224.065	-0.082	50	10	BBGE	
CCCCS(=O)(=O)NNC(=O)OC	205147607	ZNIOPAPUEDVVAL-UHFFFAOYSA-N	210.255	-0.023	50	10	BBGE	
CN1C(=O)NC(=O)[C@@H](Br)[C@@H]1N	211307968	RCSKDVAJIKZDSY-STHAYSLISA-N	222.042	-0.784	50	10	BBGE	
COC[C@H](Oc1cccc(C#N)c1)C(=O)NN	232417840	NNSSKEGTQNIEHT-JTQLQIEISA-N	235.243	-0.058	50	10	BBGE	
CN(CC(N)=O)c1nnc(CCl)o1	234263962	IWXBQUMJDOYUJB-UHFFFAOYSA-N	204.617	-0.270	50	10	BBGE	
CO[C@H]1CN(CCCC(=O)NN)C[C@H]1OC	234787120	ZRPDTYRCJIUGIR-DTORHVGOSA-N	231.296	-0.898	50	10	BBGE	
CCOC(=O)[C@@H](NNC(N)=O)C(C)C	238256619	IPHNAYWDTSZPEY-LURJTMIESA-N	203.242	-0.253	50	10	BBGE	
OB(O)c1cc(O)cnc1C(F)(F)F	238619296	PPKQRNSKMDUJRS-UHFFFAOYSA-N	206.916	-0.514	50	10	BBGE	
OB(O)c1ccnc(I)c1	238630145	GDGNVXRTGAZTCA-UHFFFAOYSA-N	248.816	-0.634	50	10	BBGE	
OB(O)c1ccnc(C2CCOCC2)c1	238651100	DNAQNXWBWLHHPC-UHFFFAOYSA-N	207.038	-0.345	50	10	BBGE	
CCN([C@@H](C)COC)[C@H](C)C(=O)NN	249911966	IVMKEWXYZXUNTC-JGVFFNPUSA-N	203.286	-0.278	50	10	BBGE	
N#CC1=CC(C(=O)NC2CCC2)=NS1(=O)=O	260070111	HUWXQNQTWOGRSA-UHFFFAOYSA-N	239.256	-0.153	50	10	BBGE	
C[C@@H]1CCN([C@H](C)CCC(=O)NN)C[C@H]1O	299910998	MMVWAWUOPUKDFY-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](N)C1	307198809	VQTQLJYWYWJVDX-BIIVOSGPSA-N	200.286	-0.966	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H]3C2)c1	307212584	PFPDLTILGHFFPG-QWRGUYRKSA-N	217.077	-0.182	50	10	BBGE	
O=C(CCl)N1C[C@H]2CCN(CC1=O)C2	307650109	JPQHOJYZTDFHMW-ZETCQYMHSA-N	216.668	-0.084	50	10	BBGE	
C#CCNC(=O)CCNC(=O)CCl	308355050	AVCAZFIZIBJTNU-UHFFFAOYSA-N	202.641	-0.519	50	10	BBGE	
CC(=NNC(=O)c1cnccn1)C(=O)O	308677172	GVDSEFYERGBEBC-UHFFFAOYSA-N	208.177	-0.333	50	10	BBGE	
NNC(=O)Cn1c2c(ncc1=O)CCCC2	381203701	CHDFNSNLNHIBBD-UHFFFAOYSA-N	222.248	-0.888	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1[C@H](C)CC(=O)NN	385965501	ZMAMQNCTDWVAHD-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@H]2C[C@H]1CO2	387743694	QPANBZOWEBJXKW-RYPBNFRJSA-N	213.281	-0.526	50	10	BBGE	
NNC(=O)CCCN1CC(O)(C2CC2)C1	394911978	OYDZKXIZTPJMCJ-UHFFFAOYSA-N	213.281	-0.787	50	10	BBGE	
O=C(O)CCc1cccc(S)c1B(O)O	396027403	RJEFECURZVERAC-UHFFFAOYSA-N	226.062	-0.328	50	10	BBGE	
CCOC(=O)CCc1cccc(C#N)c1B(O)O	396095546	GBERGHHWXMRCIP-UHFFFAOYSA-N	247.059	-0.266	50	10	BBGE	
CCC(=O)NCc1ccc(B(O)O)s1	405019725	DGXCVADMLRHRIT-UHFFFAOYSA-N	213.067	-0.546	50	10	BBGE	
CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1	584943955	MDPCTKXXOZULNF-NSHDSACASA-N	249.075	-0.773	50	10	BBGE	
O=C(CCOCC1CC1)N1CC[C@H](B(O)O)C1	585069276	KMIVECRPURVJLR-JTQLQIEISA-N	241.096	-0.122	50	10	BBGE	
C[C@@H]1C(C#N)=C(N)O[C@H]2CCS(=O)(=O)[C@@H]21	606654329	FITSQKVUOFOMJK-MHSYXAOVSA-N	228.273	-0.098	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@@H](O)CN(C)C	717363571	DYECUXGEMCQHAB-HTQZYQBOSA-N	222.716	-0.100	50	10	BBGE	
NC(=O)CC1CC(NC(=O)CCl)C1	718498391	NTRBPMQPBFUDPL-UHFFFAOYSA-N	204.657	-0.005	50	10	BBGE	
C[C@H]1C[C@@H](C)CCN(C(=O)C(=O)NN)C1	723836899	AWBZONXFLRSSTG-YUMQZZPRSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CN)SCc1nsc(C(=O)NN)n1	724325516	YCLIFCOAHFOMDL-SCSAIBSYSA-N	247.349	-0.278	50	10	BBGE	
CC1(CC(=O)NNC(=O)[C@H]2COCCO2)CC1	757987377	UQDYWIPXAWYTJX-MRVPVSSYSA-N	242.275	-0.261	50	10	BBGE	
COC(=O)CCN1CCC(=NNC(N)=O)CC1	788699589	XWBMXZSEHGYVOR-UHFFFAOYSA-N	242.279	-0.330	50	10	BBGE	
O=C(NNCc1ccccc1)[C@@H]1COCCN1	843123726	OQYNZWWCEGHFMI-NSHDSACASA-N	235.287	-0.204	50	10	BBGE	
N#CC1(CC(=O)NNC(=O)c2cc[nH]n2)CC1	855355765	HJPWHCDEXKAZJN-UHFFFAOYSA-N	233.231	-0.135	50	10	BBGE	
CCN(CC)CC(=O)NNc1nnc(C)n1C	856049541	NHWBWMMRGUZVBJ-UHFFFAOYSA-N	240.311	-0.092	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H](C)[C@@H]1CCCO1	906396140	YPCCTVWSZLAIJO-BQBZGAKWSA-N	215.253	-0.238	50	10	BBGE	
Cn1cc(C(=O)NN=CC2CCOCC2)nn1	1330031204	TXNDQIQGTLOIME-UHFFFAOYSA-N	237.263	-0.043	50	10	BBGE	
Cc1ccoc1C(=O)NNC(=O)c1cn(C)nn1	1586154441	ZZDDFJQPMCSEDN-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CNC(=O)NNC(=O)c1coc(C#N)c1	1626583437	YJGASGRDXZWDIG-UHFFFAOYSA-N	208.177	-0.275	50	10	BBGE	
Cc1ccc(C(=O)NNC(=O)CCC(N)=O)o1	1630446521	VNMZNMDQDCIGTE-UHFFFAOYSA-N	239.231	-0.385	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]1Br	1877397139	PYUNKZLECBZJAC-UHNVWZDZSA-N	223.070	-0.617	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](O)C[C@H](O)C1	1882571439	ACADZWSLISIWSE-FXQIFTODSA-N	204.657	-0.455	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCCC(=O)O	1883646901	FZYACWDXDROOJH-OWOJBTEDSA-N	205.597	-0.101	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1C[C@H](O)C1	1885275787	XQLVBHKCDATXFO-BWZBUEFSSA-N	201.270	-0.790	50	10	BBGE	
NCC1(NC(=O)C=CC(=O)Cl)COC1	1893410777	NSZHLHMWWVDNRQ-UHFFFAOYSA-N	218.640	-0.848	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)[C@@H]1CO[C@@H]2CNC[C@@H]21	1897146299	UALWVATWAQYXPK-LOLPMWEVSA-N	244.722	-0.036	50	10	BBGE	
O=Cc1ccc(SCCCO)cc1B(O)O	1901284754	RQJBGPGQLVOPHM-UHFFFAOYSA-N	240.089	-0.347	50	10	BBGE	
CC(C)[C@@H](CO)N(C)CC(C)(C)C(=O)NN	1902155449	ITFXMNPJEKTTRE-SECBINFHSA-N	231.340	-0.049	50	10	BBGE	
CNC(=O)C[C@@H]1CNCCN1C[C@@H](Cl)C#N	1902722057	HAJUXNPGDIVUMR-DTWKUNHWSA-N	244.726	-0.473	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@H]2CO	1907252165	NQEGZNYZSMTXSZ-QGKZMRNZSA-N	239.319	-0.542	50	10	BBGE	
Cc1cccc(=O)n1C[C@H](C)C(=O)NN	1912229058	KCAUFXBKYCGMGD-ZETCQYMHSA-N	209.249	-0.217	50	10	BBGE	
CC(C)(CN1C[C@H](O)CC2(CC2)C1)C(=O)NN	1926420437	LIGNDDIPJNBEDX-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CON(C)Cc1nc(C(=O)NN)cs1	1928677163	VBYJDZQXBPVTDL-UHFFFAOYSA-N	216.266	-0.260	50	10	BBGE	
O=C(Cn1cnnn1)N[C@@H](CCl)C1CC1	1930731253	OQWHBLBARPIUNJ-ZETCQYMHSA-N	229.671	-0.193	50	10	BBGE	
Cc1csc(CN(C)C(N)=O)c1B(O)O	1935214905	ZRAYQHMCINJVPM-UHFFFAOYSA-N	228.082	-0.753	50	10	BBGE	
NNC(=O)C(=O)NCC1(C(F)(F)F)CCC1	1935853043	VNMSUMYPVXBWAW-UHFFFAOYSA-N	239.197	-0.175	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@H](C2CC2)CC1	1936185735	KHZUXTJWMALLGU-QMMMGPOBSA-N	227.264	-0.996	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C(=O)NN)C1CN(C)C1	1937467283	FSQAMPNZZYPZDC-SCZZXKLOSA-N	226.324	-0.752	50	10	BBGE	
CCNC(=O)NCc1sc(B(O)O)cc1C	1939865208	YMRPHZFTXHXBOX-UHFFFAOYSA-N	242.109	-0.445	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCC[C@]23C[C@H](CO2)[C@H]13	1949402159	IRJRXDXURLNQBB-KCGFPETGSA-N	239.275	-0.950	50	10	BBGE	
O=C(CCl)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21	1954213323	GTDRHOVPEOENJL-KCQQBQQISA-N	223.681	-0.616	50	10	BBGE	
O=C1C[C@]2(CCOC2)N1S(=O)(=O)CCl	1955268197	BPUKMNSLZYZEMI-ZETCQYMHSA-N	239.680	-0.096	50	10	BBGE	
COC[C@]1(C)COCCN1C(=O)NN	1956617688	ZUNUBMXGMUZQJQ-MRVPVSSYSA-N	203.242	-0.693	50	10	BBGE	
COC[C@@H](Sc1cc[nH]n1)C(=O)NN	1957153268	HAFLJIJKXWZYLS-RXMQYKEDSA-N	216.266	-0.493	50	10	BBGE	
C[C@@H](CCN(C)C(=O)C(=O)NN)C(F)F	1957643701	DTGBWBRXBFMOOS-YFKPBYRVSA-N	223.223	-0.274	50	10	BBGE	
O=C(CCn1cnnn1)N[C@@H]1C[C@H]1CCl	1957830556	ALERFYZEPMKYSK-NKWVEPMBSA-N	229.671	-0.193	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2F	1957875573	QGODRENBHYIMIT-YTLHQDLWSA-N	215.228	-0.771	50	10	BBGE	
C[C@H](CCC(=O)NN)N=[S@@](C)(=O)N(C)C	1960619475	YVLWNXZVEAPJRF-KWKYVRJSSA-N	236.341	-0.281	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2OCC[C@@H]2C1	1961587305	WNSXMOWQWBRQQF-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2C[C@@H]2CN)CC1	1962168919	SFPRWWBLIYVWHI-NXEZZACHSA-N	209.293	-0.068	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O	1962236851	UZXKAIZJLFFGKW-KWZOGVTMSA-N	233.695	-0.281	50	10	BBGE	
O=C(C[C@@H]1CCOC1)N1CCC(B(O)O)CC1	1964500426	KELGPEKGHGXDHF-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C[C@@H](C)C1	1976441200	MRNZGMJJQWIAQE-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
CCCc1ocnc1CNC(=O)C(=O)NN	1976731724	PCTSQHDWZZSZIW-UHFFFAOYSA-N	226.236	-0.767	50	10	BBGE	
CN(CCF)Cc1c(C(=O)NN)cnn1C	1980594035	QVSBSYPRTWNZFL-UHFFFAOYSA-N	229.259	-0.575	50	10	BBGE	
C[C@@H](N)CSCc1c(C(=O)NN)cnn1C	1980594599	UKFVMBZKSVUNEE-ZCFIWIBFSA-N	243.336	-0.396	50	10	BBGE	
CC12CC(CN1c1ccncc1B(O)O)C2	1981408957	HEYIVINXGKBIOF-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
C[C@H]1C[C@@H](C)CN1c1ccncc1B(O)O	1981427476	VATLELSKTFWRGC-BDAKNGLRSA-N	220.081	-0.004	50	10	BBGE	
CSCCN(C)c1ncnc(C)c1B(O)O	1981446238	VPMYRYVTYPXNIC-UHFFFAOYSA-N	241.125	-0.736	50	10	BBGE	
OB(O)c1ccc(Sc2ccncn2)nc1	1981466277	WLFNLVVRHFQZLG-UHFFFAOYSA-N	233.061	-0.297	50	10	BBGE	
C=C1CC(Cn2cccc(B(O)O)c2=O)C1	1985526554	XVEGQYOBEUCZBX-UHFFFAOYSA-N	219.049	-0.506	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2COCC[C@H]21	1989937658	ZYNFOJBVTXSPRF-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCOC[C@@H]1C	1990775072	QUOJYRFKLIWLCD-QMMMGPOBSA-N	229.280	-0.736	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@H]1CCNC1=O	1991286018	MWDOUBHUILCPPW-NTSWFWBYSA-N	247.682	-0.424	50	10	BBGE	
CC(F)(F)[C@H]1C[C@@H]1C(=O)NCC#CB(O)O	1992136566	ZGCLAKDXKSICQD-BQBZGAKWSA-N	231.007	-0.591	50	10	BBGE	
NNC(=O)C12COC(Cn3cccn3)(C1)C2	1993881028	CVZNRRLABPRMFU-UHFFFAOYSA-N	222.248	-0.578	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)NC1CCC1	1996647745	QSVJXVCPAOPWJT-UHFFFAOYSA-N	235.052	-0.565	50	10	BBGE	
Cn1cc(C(=O)NN)c(CO[C@H]2CCOC2)n1	2003509045	HLVVHFPLVZHGFZ-ZETCQYMHSA-N	240.263	-0.671	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@@H]3CCCCN3C[C@H]2C1	2003976689	NKRGZLHDYSZHDG-MXWKQRLJSA-N	238.335	-0.608	50	10	BBGE	
C[C@H]1C[C@H](OCc2nc(C(=O)NN)co2)CO1	2004761061	GIDIMTKXTQDGIX-BQBZGAKWSA-N	241.247	-0.028	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cn2)[C@@H](C)[C@@H]1C	2004911622	JFXWCPROWQEUJM-HLTSFMKQSA-N	235.096	-0.363	50	10	BBGE	
CN(Cc1cocn1)c1ccc(B(O)O)cn1	2004918111	HMBDJNZNJRNGBJ-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)[C@@H]2C)ncc1B(O)O	2004972651	IPWPWZCELYOTKL-APPZFPTMSA-N	235.096	-0.300	50	10	BBGE	
C[C@H]1CC(CN(C)C(=O)C(=O)NN)C[C@H](C)O1	2010673533	FQSVMAQWOXEOIV-YUMQZZPRSA-N	243.307	-0.362	50	10	BBGE	
C[C@@H]1[C@H](O)CN1Cc1cncc(C(=O)NN)c1	2011375630	WKFOGONAIQIURW-GMSGAONNSA-N	236.275	-0.750	50	10	BBGE	
CN(CC(=O)NN)C[C@]12CCCCN1CCC2	2013374141	JRKLHOZGUHBFMN-GFCCVEGCSA-N	240.351	-0.073	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3COC[C@H]32)n1	2013468657	OQDGDOWOENEGGK-POYBYMJQSA-N	238.247	-0.891	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3COC[C@@H]32)n1	2013468658	OQDGDOWOENEGGK-XPUUQOCRSA-N	238.247	-0.891	50	10	BBGE	
CC1(C)CC[C@@H]1C(=O)N[C@@H](CB(O)O)C(=O)O	2014906060	ZTZVKXXXVAGQMT-RQJHMYQMSA-N	243.068	-0.535	50	10	BBGE	
CCCn1nccc1C(=O)NCC#CB(O)O	2021157348	KYNKHMCFAPOPHW-UHFFFAOYSA-N	235.052	-0.962	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1(C2CC2)CC1	2040769057	MVTNFRQTHUFKSZ-UHFFFAOYSA-N	246.075	-0.110	50	10	BBGE	
C[C@@H]1C[C@]2(C(=O)Nc3ncc(B(O)O)cn3)C[C@@H]12	2042944455	NMUBPTTZZGIXMB-ZYAQMDEOSA-N	247.063	-0.859	50	10	BBGE	
NNC(=O)c1cccc(CN2CC=C[C@H]2CO)n1	2056276730	ICPFQDPMXDQMCZ-JTQLQIEISA-N	248.286	-0.582	50	10	BBGE	
Cc1cncc(Cn2cccc(B(O)O)c2=O)c1	2058157172	ZICCMZJYXPUEFC-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCc1c(C=O)ccc(B(O)O)c1[N+](=O)[O-]	2060034962	YGJCKFGACQSUFE-UHFFFAOYSA-N	222.993	-0.351	50	10	BBGE	
COc1cc(B(O)O)c(OC)c([N+](=O)[O-])c1	2060325080	WRKLPTPFHOFNSO-UHFFFAOYSA-N	226.981	-0.708	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@H](CO)CC1CC1	2210715989	BHCNEKLKNCOCSS-WPRPVWTQSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@@H]1COCC1(C(=O)NN)CC1	2211860401	FVAVIFBZALJTLI-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(CCCC(=O)NN)C2	2212336682	OXDGFJRIMFQYNW-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](CN1CC[C@H](OC(F)F)C1)C(=O)NN	2212386194	RUYAVBMXIALOLR-RQJHMYQMSA-N	237.250	-0.074	50	10	BBGE	
C#CCN(CCC)c1ccc(B(O)O)cn1	2212600972	GRQMLSRGWARJIO-UHFFFAOYSA-N	218.065	-0.389	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@@H]2C[C@@H]2C1	2212602160	ZLXWQYOEQGUXMJ-AYMMMOKOSA-N	218.065	-0.028	50	10	BBGE	
CCCC=CCN=c1ccc(B(O)O)c[nH]1	2212602724	IZARDMFYUUISMT-UHFFFAOYSA-N	220.081	-0.049	50	10	BBGE	
C[C@@H]1CC[C@H]1C(=O)Nc1cccc(B(O)O)n1	2214997206	WXXHDMCPFMQALU-HTQZYQBOSA-N	234.064	-0.254	50	10	BBGE	
N[C@@H]1CCCC[C@H]1Oc1ccc(B(O)O)cn1	2217166819	JIRVTVRYHKJQIL-NXEZZACHSA-N	236.080	-0.590	50	10	BBGE	
C[C@H]1CO[C@H](CNc2ncccc2B(O)O)C1	2217176990	DAHYHTVWXGDOCZ-BDAKNGLRSA-N	236.080	-0.402	50	10	BBGE	
C#CCN(c1nccc(B(O)O)c1F)C1CC1	2217180805	LBAKXNPHVBIWMP-UHFFFAOYSA-N	234.039	-0.498	50	10	BBGE	
CNCCCCN(C)c1ncccc1B(O)O	2217181725	UIBXHAZHKKCCHV-UHFFFAOYSA-N	237.112	-0.803	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1CCCCN1	2217185308	VHVZFIJGLFYKDC-VIFPVBQESA-N	235.096	-0.685	50	10	BBGE	
C[C@@H](Oc1cc(B(O)O)ccn1)[C@H]1CCCN1	2217192927	KACIPQPZRPZWDL-PSASIEDQSA-N	236.080	-0.719	50	10	BBGE	
CC1(C)C[C@@H](CNc2ncc(B(O)O)cn2)O1	2217198182	XSSVXIMGZNCSKO-QMMMGPOBSA-N	237.068	-0.864	50	10	BBGE	
C[C@@H]1CCN(Cc2cccc(B(O)O)c2)C[C@H]1O	2220060670	YOTUWGLRWOJZSI-ZWNOBZJWSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccnc1OC1([C@H]2CCNC2)CC1	2223649936	GDSGHGDBRYFLFR-VIFPVBQESA-N	248.091	-0.718	50	10	BBGE	
C[C@H](c1cc(B(O)O)cs1)N(C)C=O	2241560266	RYMMGZVRULXBKY-ZCFIWIBFSA-N	213.067	-0.423	50	10	BBGE	
COC1(C)CCN(C(=O)C#CB(O)O)CC1	2243356820	NHSRBCOSDQEWIV-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
O=C(c1ncsc1B(O)O)N1CC[C@H](F)C1	2243359101	OTPANZXTWSMIAT-YFKPBYRVSA-N	244.056	-0.993	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccsc1B(O)O	2243359735	WYXREYWPSGDRNA-SSDOTTSWSA-N	237.089	-0.431	50	10	BBGE	
O=C(NCC1(F)CC1)c1ccoc1B(O)O	2243361458	BMMCCLLKOCAKLT-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1occc1B(O)O	2243364443	XENXPUVXCZNVBL-RXMQYKEDSA-N	230.963	-0.903	50	10	BBGE	
CCc1cc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH][nH]1	2243390980	DYTQGVHEPWPYRW-BQBZGAKWSA-N	223.041	-0.805	50	10	BBGE	
C[C@H](CCCCO)NC(=O)[C@H]1C[C@@H]1B(O)O	2243396928	SOBJSUNZXFVEFF-VGMNWLOBSA-N	229.085	-0.483	50	10	BBGE	
CN(CC1(C)CC=CC1)C(=O)C#CB(O)O	2243400385	ACBSGDGJPQEEHH-UHFFFAOYSA-N	221.065	-0.184	50	10	BBGE	
CN(CCc1cccs1)C(=O)C#CB(O)O	2243401834	XLNQHAAKBPGGFG-UHFFFAOYSA-N	237.089	-0.236	50	10	BBGE	
CCN(O)C(=O)c1cc(Cl)ccc1B(O)O	2243410528	CQNOELTVQNVZQD-UHFFFAOYSA-N	243.455	-0.129	50	10	BBGE	
C=C(CS(=O)(=O)N1C[C@@H](C)C[C@H]1C)B(O)O	2243412428	MPYUQSKWRQPFLS-IONNQARKSA-N	247.125	-0.385	50	10	BBGE	
COCCN(C)C(=O)c1cc(B(O)O)cs1	2243420626	WKSLPBNVFUAUML-UHFFFAOYSA-N	243.093	-0.854	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC12CCC2)B(O)O	2243433552	NMNHUYRIRKXHSR-MRVPVSSYSA-N	245.109	-0.583	50	10	BBGE	
CC#CC(=O)Nc1ccc(Cl)cc1B(O)O	2243684738	GBRZCWIPSOACTK-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@H]1C[C@H]1Cl	2243712032	CNHKAAIHCNHCSP-NKWVEPMBSA-N	240.455	-0.673	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@@H]1CC[C@@H]1C	2247738557	RVEYHHJYNRRNDB-IMTBSYHQSA-N	237.064	-0.204	50	10	BBGE	
CCC[C@H]1C[C@H](NC(=O)C#CB(O)O)CCO1	2247742591	QTLJNURYQUOWAN-ZJUUUORDSA-N	239.080	-0.534	50	10	BBGE	
CCCN(C)C(=O)c1c(F)cccc1B(O)O	2247751856	DGSNQSOYDCLMQL-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1cc(F)ccc1B(O)O	2247751934	FSPAYSORFMPBDR-DTWKUNHWSA-N	241.002	-0.654	50	10	BBGE	
COc1ccc(B(O)O)cc1C(=O)N1CCC1	2247752604	SDACIAWFKKRZBE-UHFFFAOYSA-N	235.048	-0.779	50	10	BBGE	
O=C(N[C@H]1CCC[C@@H]1CCO)C1(B(O)O)CC1	2247754614	GRNLSZLSVHWFQB-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C=C1CN(C(=O)c2ccc(B(O)O)cc2F)C1	2247756375	GQRZIEHTGUOEHS-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
O=C1[C@@H]2[C@@H](CN1C(=O)C1(B(O)O)CC1)C2(F)F	2247756449	MDHRNMBQFFLPJP-UHNVWZDZSA-N	244.990	-0.757	50	10	BBGE	
N#CCCCCNC(=O)c1occc1B(O)O	2247756896	OVBUWQZAHUZYPH-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
Cn1nccc1CCNC(=O)C1(B(O)O)CC1	2247757962	SWYYVXYGCRFQKV-UHFFFAOYSA-N	237.068	-0.914	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)ccc1C	2247760685	LVEXQKWCWWWMPR-UHFFFAOYSA-N	237.064	-0.254	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1C(=O)C1(B(O)O)CC1	2247762213	GPWHTSFVFIJUHB-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1C[C@@H](O)C[C@@H](F)C1	2247785675	OUUMUOXESFRWCB-XAVMHZPKSA-N	245.059	-0.829	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(N)=O	2247786990	JPPZRMWTTZRPKT-PJKMHFRUSA-N	242.084	-0.990	50	10	BBGE	
C[C@@]1(NC(=O)C2CC(B(O)O)C2)CCC[C@@H]1O	2247793388	XMTVOSXCOIOZCE-QAEOJHPCSA-N	241.096	-0.341	50	10	BBGE	
O=C(NOC1CCOCC1)[C@H]1C[C@@H](B(O)O)C1	2247793553	YNAGUGNEKAICME-OCAPTIKFSA-N	243.068	-0.534	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCO[C@@H](CF)C1	2247793719	ZNKANBXTUDTECN-CIUDSAMLSA-N	245.059	-0.564	50	10	BBGE	
CNC1CCC(NC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247798485	UOBOOGKTRRQVBQ-QLEHZGMVSA-N	240.112	-0.504	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN(C)C(=O)C#CB(O)O	2247851043	VTJQQIZFMJDRHM-VPOLOUISSA-N	235.092	-0.248	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@H]2C)c(B(O)O)c1	2247851692	ILNWKMGAFGIFOZ-MRVPVSSYSA-N	234.064	-0.696	50	10	BBGE	
CC(C)N(C)C(=O)c1cccc(F)c1B(O)O	2247869998	BYRLKNUGSBIQPU-UHFFFAOYSA-N	239.055	-0.014	50	10	BBGE	
C[C@@H](C#N)CN(C)C(=O)c1occc1B(O)O	2247878233	ILYSPIHNNMDROC-ZETCQYMHSA-N	236.036	-0.809	50	10	BBGE	
CC1(C)C[C@H](CO)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247887830	SCANVGURSGVZSM-HLTSFMKQSA-N	241.096	-0.531	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)oc1B(O)O	2247892229	WMRBJVIRHZJAMD-XPUUQOCRSA-N	237.064	-0.204	50	10	BBGE	
C[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247896676	JBEFLCMEGDDKFT-DOLQZWNJSA-N	241.096	-0.531	50	10	BBGE	
O=C(NCC[C@H]1CCCNC1)[C@@H]1C[C@@H]1B(O)O	2247898365	CVYCFISZIFNGLU-BBBLOLIVSA-N	240.112	-0.645	50	10	BBGE	
CC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCNCC1	2247899546	OAFPYGVNTKUUPG-RKDXNWHRSA-N	240.112	-0.645	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)[C@H]1CC1(C)C	2249419121	COGSJRWWGSYCMT-VIFPVBQESA-N	237.064	-0.170	50	10	BBGE	
C[C@@]1(N2[C@H]3CC[C@H]2C(=O)OC3=O)CCNC1=O	2251051987	PPZCNRPBLOWYLH-OKTBNZSVSA-N	238.243	-0.819	50	10	BBGE	
O=C(NCCN1CC[C@@H]2C[C@@H]21)C1(B(O)O)CC1	2251689643	ICNABPKGRSYIEC-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
C#CCN(C(=O)c1ccc(B(O)O)cn1)C(C)C	2255519503	YATZOPPEBOIKDC-UHFFFAOYSA-N	246.075	-0.755	50	10	BBGE	
N=c1cc(CNC(=O)[C@H]2C[C@@H](B(O)O)C2)cc[nH]1	2255557967	DIPWPBKSNUBIDQ-DTORHVGOSA-N	249.079	-0.637	50	10	BBGE	
O=C(NCC1(C2CC2)CC1)c1c[nH]nc1B(O)O	2255679530	ULKJSWBSJXWGFU-UHFFFAOYSA-N	249.079	-0.991	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@H]2CC[C@@H]2C1	2255721132	YXCDGOUPZDQHDV-RKDXNWHRSA-N	249.075	-0.250	50	10	BBGE	
O=C(Nc1ccc(O)nc1)c1occc1B(O)O	2255738640	WIBWPQJAZHRGQR-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
Cc1ccnc(C(=O)NC[C@@H]2C[C@H]2C)c1B(O)O	2255785241	KIBIWJJWQWCBAC-BDAKNGLRSA-N	248.091	-0.544	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)Nc1ccc(B(O)O)cc1	2255893740	UPKPGZHROKHUPI-SECBINFHSA-N	246.075	-0.148	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)ccc1O	2256013822	IQDNVHZRVPZNED-IIDWOEFGSA-N	249.075	-0.544	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)c1ccncn1	2258135718	HCMUOJZLLGKRED-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376320	RRSCOKMUWQMSJS-YSSBGUOXSA-N	238.096	-0.811	50	10	BBGE	
CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2298463504	HKUUCBONKMIKRB-IBNKKVAHSA-N	241.052	-0.781	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]2C2CC2)ncc1F	2303835309	UYVZZJWWIJGXIS-JTQLQIEISA-N	236.055	-0.111	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	2312848158	QHSGRIWYDKVNKZ-VFZGUZRASA-N	247.103	-0.057	50	10	BBGE	
C[C@H](Oc1ccc(C=O)c(B(O)O)c1)C1(N)CC1	2317349959	LLNSGTUIJOYLRH-QMMMGPOBSA-N	249.075	-0.563	50	10	BBGE	
O=Cc1ccc(NN2CCCCC2)cc1B(O)O	2317351670	MMDKEBWWGZPVPM-UHFFFAOYSA-N	248.091	-0.008	50	10	BBGE	
CCCNC(=O)C(C#N)=CNCCCO	2324221071	UNKYUOSHDVALRE-UHFFFAOYSA-N	211.265	-0.108	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCN(CCO)CC1	36134041	UZQCFJCSKQGQTR-QMMMGPOBSA-N	220.700	-0.250	50	10	BBGE	
C[C@@H]1CN(C(=O)CCCC(=O)NN)C[C@@H](C)O1	58844375	UGVTTXWDBKYNRH-RKDXNWHRSA-N	243.307	-0.218	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)CC1	82466109	NJNBEJQKHQVMCO-UHFFFAOYSA-N	214.313	-0.606	50	10	BBGE	
NNC(=O)CCCCN1CC[C@H](O)C1	82468696	KEBIMFCAEVTKFV-QMMMGPOBSA-N	201.270	-0.787	50	10	BBGE	
C[C@H](CSCCS(C)(=O)=O)C(=O)NN	82514827	NZBRTRBPLMBEIE-ZCFIWIBFSA-N	240.350	-0.610	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N[C@@H]1CCC(=O)NC1	82516163	WGXWZHSCUBNDKA-PHDIDXHHSA-N	247.682	-0.282	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@@H](C)N	85314395	XHBGSDFJVKYLLC-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
C[C@@H]1CC(=O)N(CC(C)(C)C(=O)NN)C1	86598202	LYTHMTRQNRASRV-SSDOTTSWSA-N	213.281	-0.129	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	147253783	JKMBHOHOWSGZJA-QMMMGPOBSA-N	239.275	-0.440	50	10	BBGE	
O=C1CCC(=O)N1C[C@@H](O)CBr	156249601	RPKNIGCJNUOVHT-YFKPBYRVSA-N	236.065	-0.109	50	10	BBGE	
O=C(CCl)NC(=O)NCCn1ccnn1	163919469	WHJUTOJEYSJEDD-UHFFFAOYSA-N	231.643	-0.657	50	10	BBGE	
OB(O)c1ccc(C[C@@H]2CNCCO2)c(F)c1	169994679	LZAKGPFOYXZCPW-SNVBAGLBSA-N	239.055	-0.964	50	10	BBGE	
CC[C@H](C)[C@H](NC)C(=O)N1CCC[C@H]1B(O)O	201811942	BUAAKYSJGLRXTN-GUBZILKMSA-N	242.128	-0.377	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	219254633	OVPRGPKXQJOSED-ZJUUUORDSA-N	228.340	-0.219	50	10	BBGE	
COC[C@H](C(=O)NN)N(CC1CC1)C1CC1	232420334	AIZZDLOADQEWQS-SNVBAGLBSA-N	227.308	-0.134	50	10	BBGE	
O=C(C=NO)N/N=C1\C(=O)Nc2ccccc21	254380883	OJCZJPIAPLHHIX-UHFFFAOYSA-N	232.199	-0.081	50	10	BBGE	
O=C(Cc1nnn[nH]1)NN=Cc1cccnc1	254507010	RTGHCRDPBSDEAT-UHFFFAOYSA-N	231.219	-0.713	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)CN(C)C)cnn1	276554933	YJWWEICKYHZGNV-UHFFFAOYSA-N	237.263	-0.892	50	10	BBGE	
NNC(=O)CCOn1nnc2ccccc21	309283835	IHXBMEKIKMIFGZ-UHFFFAOYSA-N	221.220	-0.760	50	10	BBGE	
CC(C)(C)CCCNC(=O)C(=O)NN	313470177	SYPWCYQMVLYYTK-UHFFFAOYSA-N	201.270	-0.081	50	10	BBGE	
COc1ccc(CN2C[C@@H]3C[C@H]3C2)cc1B(O)O	380350955	OAJAJTKXUYBNOF-QWRGUYRKSA-N	247.103	-0.173	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCN2CC[C@H]1C2	381793866	OASPOGYMMFCPMT-AEJSXWLSSA-N	226.324	-0.609	50	10	BBGE	
OB(O)c1ccc(C2CCNCC2)cc1F	390210965	VDDCHCSQYMFBBE-UHFFFAOYSA-N	223.056	-0.028	50	10	BBGE	
CC(C)(CS(C)(=O)=O)N1CC(=O)OC(=O)C1	393635149	XCFYYPKQZGKBFS-UHFFFAOYSA-N	249.288	-0.805	50	10	BBGE	
C[C@@H](Cl)C(=O)c1cccc(B(O)O)c1CO	396040589	MPJIWHAWJKJYGA-ZCFIWIBFSA-N	242.467	-0.331	50	10	BBGE	
CC[C@H](SC[C@@H]1CN(C)CCO1)C(=O)NN	400778725	OKPYJIDGGPGSTJ-IUCAKERBSA-N	247.364	-0.181	50	10	BBGE	
COC(=O)NNC(=O)COCc1cc(C)no1	495787028	OBBSRUPRZAQSTM-UHFFFAOYSA-N	243.219	-0.113	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1ccnn1C	689551600	INSYXWAMTHLYGT-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
OB(O)c1cnn(CCOC2CCCCC2)c1	701398896	CDIDTVYJWKOESJ-UHFFFAOYSA-N	238.096	-0.088	50	10	BBGE	
COCCOCOc1c(F)cccc1B(O)O	707074704	NKFCGMQJPKAKSM-UHFFFAOYSA-N	244.027	-0.495	50	10	BBGE	
C[C@@H](CN1CCCC[C@]1(C)CO)C(=O)NN	723023262	PLLBWYFEDJSEEO-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)c1csnn1	817214248	FZULVTYIYAGOKY-ZCFIWIBFSA-N	242.260	-0.522	50	10	BBGE	
NC(=O)C(=O)NN=C1CO[C@H](C2CC2)C1	853260444	UMFPLFCBKMDJCX-ZETCQYMHSA-N	211.221	-0.857	50	10	BBGE	
C[C@@H]1COCCC1=NNC(=O)c1cn(C)nn1	853384272	PQQOODHSJVIABR-SSDOTTSWSA-N	237.263	-0.043	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1COCCC1=O	862934687	SDVFKYJTDTYSQD-ORZBULNSSA-N	238.243	-0.095	50	10	BBGE	
CC(C)NC(=O)NNC(=O)c1cccc[n+]1[O-]	1631557784	QMKOATDDLMIZFG-UHFFFAOYSA-N	238.247	-0.328	50	10	BBGE	
Cc1c[nH]cc1C(=O)NNC(=O)c1ncon1	1639765309	MEFPOTDCPJGZFT-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
O=C(NC1(CO)CNC1)[C@@H]1C[C@H]1Br	1877336590	NNEJPYWMDIKZRL-PHDIDXHHSA-N	249.108	-0.780	50	10	BBGE	
NC/C=C/CNC(=O)/C=C/C(=O)Cl	1883648408	ZVXRHTGFDOBJKC-MVJNYCIBSA-N	202.641	-0.061	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)CCl)C[C@H]21	1883971463	RYTHTSIOHVXMSP-KCQQBQQISA-N	202.641	-0.585	50	10	BBGE	
O=C1N[C@@H]2CN(C[C@H](O)CCl)C[C@H]2O1	1884552135	YPPOHLCIBZNJPV-FSDSQADBSA-N	220.656	-0.621	50	10	BBGE	
O=S(=O)(CCl)N1CCO[C@H]2COC[C@H]21	1889522813	FOVQPDLRIMKBCD-RQJHMYQMSA-N	241.696	-0.388	50	10	BBGE	
O=C(NC[C@H]1C[C@@H]1Cl)[C@@H]1CNCCO1	1893107869	OXFCHJDUHANNQA-CSMHCCOUSA-N	218.684	-0.282	50	10	BBGE	
C[C@H](N)CSC[C@@H]1CCC[C@H](C(=O)NN)O1	1896929073	MQWHWGBMHWTAOF-XHNCKOQMSA-N	247.364	-0.006	50	10	BBGE	
CC[C@@H]1NCC[C@@H]1C(=O)NN(C)S(C)(=O)=O	1901376128	WIZXIKFDHZLDGW-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@@H]2CCCO[C@@H]21)C(=O)NN	1907545147	TWEPKDLXUDEHGA-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CO[C@H]1CCN(Cc2ccccc2B(O)O)[C@H]1C	1914308845	NDUDUYMZOBZPCA-GWCFXTLKSA-N	249.119	-0.024	50	10	BBGE	
OC[C@]1(F)CCN(C[C@H](O)CCl)C1	1917140400	HUSBLHHHGFUFMR-SFYZADRCSA-N	211.664	-0.008	50	10	BBGE	
CCN(CCSC)C(=O)C(=O)NN	1917271402	OAGXDRCVLFVMTA-UHFFFAOYSA-N	205.283	-0.812	50	10	BBGE	
C[C@@](N)(C(=O)NNC(=O)C(F)(F)F)C1CC1	1923384949	KQJWAEGVAFHVFA-ZETCQYMHSA-N	239.197	-0.177	50	10	BBGE	
O=C(CCl)NCCN1CCOC1=O	1928986667	OAIYPONACCVMAV-UHFFFAOYSA-N	206.629	-0.206	50	10	BBGE	
COC[C@@H](Cl)CN=c1nc[nH]n1C	1930284124	XMUIYXRFHKRWSY-LURJTMIESA-N	204.661	-0.097	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)C1=O	1931268957	MIYUYEXZSFUORF-UHFFFAOYSA-N	212.253	-0.876	50	10	BBGE	
NNC(=O)CN1CCC[C@H]2OCC[C@H]2C1	1931682728	LWXVHBQRQBQUMO-DTWKUNHWSA-N	213.281	-0.523	50	10	BBGE	
Cc1csnc1C(=O)NNC(N)=O	1932796183	XJYBCYSLIMLPIK-UHFFFAOYSA-N	200.223	-0.235	50	10	BBGE	
CN(C)NC(=O)C[C@]1(N)CCSC1	1933285870	FUHPGDFYLDCAFX-MRVPVSSYSA-N	203.311	-0.196	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H]1COC[C@H]1O	1933389375	MYEZIBXSERQPTQ-GJMOJQLCSA-N	221.684	-0.015	50	10	BBGE	
COCC1(C(=O)NNC(N)=O)CCC1	1935504057	UPWFQGKGJHTYLN-UHFFFAOYSA-N	201.226	-0.497	50	10	BBGE	
NNC(=O)c1cncc(COC2COC2)c1	1935731959	DRWFKIJTUQCCNY-UHFFFAOYSA-N	223.232	-0.400	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)CCSC1=O	1936082990	HHEJAPSXMUEPLO-RITPCOANSA-N	243.288	-0.302	50	10	BBGE	
NNC(=O)CCN1CC[C@H](CO)C(F)(F)C1	1937078269	CBDKKSAXARQIKI-SSDOTTSWSA-N	237.250	-0.684	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H]2[C@@H](CO)[C@@H]2C1	1937462054	ZJCRISKTTCVKAF-JLIMGVALSA-N	227.308	-0.829	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1COCCCO1	1939092721	RGXINMGLRZITII-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
CC(C)CN(CC(N)=O)C[C@@H]1C[C@H]1C(=O)NN	1941085138	BUXZJFKCNXBBPY-DTWKUNHWSA-N	242.323	-0.944	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@H]1N(C)C	1941088998	SSKUFWLKWNSCKE-RCWTZXSCSA-N	240.351	-0.506	50	10	BBGE	
CC[C@@H]1CN(CCOCC(=O)NN)[C@H](C)CO1	1941774219	GYXBULWAZWLGFE-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
O=C(NCc1nc(=O)o[nH]1)OCCl	1954101218	OYLGJRPIHRAACY-UHFFFAOYSA-N	207.573	-0.215	50	10	BBGE	
CC[C@@H](C(=O)NCB(O)O)C(C)(F)F	1956884868	CURSLUYLCQRBAS-YFKPBYRVSA-N	209.001	-0.204	50	10	BBGE	
CCCOC1CN([C@H](C)CC(=O)NN)C1	1958195645	OYNHSNHRZQWEHM-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)C(=O)N(C1CCC1)C1CCC1	1959017078	OJNRGYGPIKLARE-UHFFFAOYSA-N	211.265	-0.090	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC12COC2	1961512970	MXXXRUJWJURBHH-JGVFFNPUSA-N	213.281	-0.524	50	10	BBGE	
CCN1CCC[C@H](N(C)[C@@H](C)C(=O)NN)C1	1976089455	IDFMSHDAFMSPCZ-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@H](O)[C@H]1CCCCN1CCC(=O)NN	1980853999	GPQCRXSGMKXGCW-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nnc(C)o1	1981092838	FAYJRQHYBRPCNM-SSDOTTSWSA-N	227.268	-0.422	50	10	BBGE	
CCN(c1ncc(B(O)O)cn1)C1CCC1	1981415446	DZMIXKZIPOBMJQ-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
CN(CCCC(=O)NN)C1CC2(COC2)C1	1985553949	BIIVLLIDJGRUKN-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
CO[C@@H](C)COC[C@H]1CC[C@@H](C(=O)NN)O1	1986049307	QOSCUXYTLULAMK-YIZRAAEISA-N	232.280	-0.425	50	10	BBGE	
CO[C@@]1(CN(C)[C@H](C)C(=O)NN)CCOC1	1987015242	PXGRNWZMAQRLHZ-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
CN(CC(=O)NN)Cc1ccnn1C1CC1	1990260606	DEOLEEQTPXLDCF-UHFFFAOYSA-N	223.280	-0.360	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@H]2NC(=O)O[C@@H]2C1	1991653228	XAEMHEKGUXDTKE-PHDIDXHHSA-N	244.634	-0.373	50	10	BBGE	
CC(=O)N1CCN(C(=O)/C=C/C(=O)Cl)CC1	1991704053	OKQXWNWCZLAVKG-NSCUHMNNSA-N	244.678	-0.001	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H]1CNCCOC1	1991705715	IEONMDIHNBJDMG-FHKCNRDCSA-N	246.694	-0.340	50	10	BBGE	
CN1CCC[C@H](OCC(F)(F)C(=O)NN)C1	1992110696	KKSFKXXNRRKXJT-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NCC#CB(O)O	1992135246	QODBXHACHCJCHT-SECBINFHSA-N	227.069	-0.821	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NCC#CB(O)O	1992143307	PSZHTHNWLPJETO-QMMMGPOBSA-N	227.069	-0.678	50	10	BBGE	
Cc1nn(C[C@@]2(F)C[C@@H]2C)c(C)c1B(O)O	1995033278	DULFBAJEBLUQON-WKEGUHRASA-N	226.060	-0.072	50	10	BBGE	
C[C@@H]1C[C@]1(F)Cn1cccc(B(O)O)c1=O	1995034918	VZBIRSZDFCNREP-XCBNKYQSSA-N	225.028	-0.724	50	10	BBGE	
CCN(CCN(C)C)c1ccc(B(O)O)cn1	2004912147	PFUCTCRPKJRIJT-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
CCOC[C@@H](C)Oc1ncc(B(O)O)cc1C	2004930528	UKBODAVJBMKUCJ-SECBINFHSA-N	239.080	-0.126	50	10	BBGE	
C[C@H]1CN(c2ccncc2B(O)O)CCCO1	2004936284	XMBVNWXERDQQSY-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@@H](F)C2)n1	2005013956	DNBGBFQGHMWPOF-RCOVLWMOSA-N	239.059	-0.741	50	10	BBGE	
Cc1cnc(N2CC3(F)CC2C3)c(B(O)O)c1	2005017131	ADXKGTSLLPLVOB-UHFFFAOYSA-N	236.055	-0.239	50	10	BBGE	
CN(CCC(=O)NN)C1CC(n2ccnc2)C1	2011112852	RAHDKXGOWKPUPS-UHFFFAOYSA-N	237.307	-0.102	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)[C@H]1CCC(=O)NC1	2012015104	KWWNBRHNZUSSLK-QMMMGPOBSA-N	242.323	-0.787	50	10	BBGE	
CC[C@@H](O[C@H]1C[C@H](n2cncn2)C1)C(=O)NN	2012098698	AXXRQLUIAXFPSV-IWSPIJDZSA-N	239.279	-0.233	50	10	BBGE	
C[C@@]1(C(=O)NCC#CB(O)O)C[C@H]1C(F)(F)F	2021104262	KDQNVZLLWZVILP-HTRCEHHLSA-N	248.997	-0.294	50	10	BBGE	
COCC1(C(=O)NCC#CB(O)O)CCCC1	2021157697	PROBDOIMKFCCFO-UHFFFAOYSA-N	239.080	-0.675	50	10	BBGE	
Cc1ccc(C(=O)NCC#CB(O)O)c(O)c1	2021163857	ZARWDHYUBPMTNR-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CC(COC)COC	2022020832	WJNINTOMADRWFR-SNVBAGLBSA-N	247.339	-0.404	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1CC[C@H]2C[C@@H]21	2040764918	JMVAKOINTCZJGU-SFGNSQDASA-N	246.075	-0.254	50	10	BBGE	
Cc1cc(C(=O)Nc2ccc(B(O)O)cn2)co1	2040767701	WASSMEREOKJNAN-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@H]3CC[C@@H]32)n1	2052625309	LAMOENYZBWFISW-ZJUUUORDSA-N	247.107	-0.238	50	10	BBGE	
COc1cc(Cl)c(B(O)O)cc1C=O	2060131241	BPTVTTIUBUGSHB-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1cc(B(O)O)ccc1OCC1[C@H]2COC[C@H]12	2068638985	HUSDHGIUFUTDGC-QWRGUYRKSA-N	248.087	-0.054	50	10	BBGE	
Cc1nccn1CC(=O)N[C@H]1CCC=C1B(O)O	2076079295	PKTMXKUJGXZGHY-JTQLQIEISA-N	249.079	-0.591	50	10	BBGE	
O=C(NCC=CB(O)O)c1ccc2c(c1)CCO2	2076081221	GYYNFIUCHUXFNA-UHFFFAOYSA-N	247.059	-0.081	50	10	BBGE	
NNC(=O)CCCS[C@@H]1CCNC1	2209392049	SXTVYZYMUPUZOP-SSDOTTSWSA-N	203.311	-0.148	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1Cc1nscc1B(O)O	2211136012	NVZRYRXCAICFAZ-RQJHMYQMSA-N	244.100	-0.245	50	10	BBGE	
COC1(C)CN(C[C@H]2CC[C@H]2C(=O)NN)C1	2211827844	OFKNYLYULKXJSB-RKDXNWHRSA-N	227.308	-0.277	50	10	BBGE	
CCN(CCOC)C[C@H]1CC[C@@H]1C(=O)NN	2211828206	VINXZTGZPFXZGI-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCO1	2212602576	GPFWCWLZUWYSAD-MRVPVSSYSA-N	222.053	-0.648	50	10	BBGE	
CC1(C)CCC[C@@H](C(=O)NCC#CB(O)O)O1	2214346311	NVUCFUBXCUHWJI-VIFPVBQESA-N	239.080	-0.534	50	10	BBGE	
C[C@H](CN(C)C[C@H](F)[C@@H]1CCOC1)C(=O)NN	2216382867	ASSOWGGHZBHYLZ-BBBLOLIVSA-N	247.314	-0.081	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CCC2)CC[C@H]1O	2216527783	HJMGXYKGCFZTFH-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
OC[C@@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217175126	DXKFKKVKPZGZAV-BDAKNGLRSA-N	236.080	-0.666	50	10	BBGE	
CO[C@]1(C)C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2217180249	GFUMCSZAYPDTDK-GXSJLCMTSA-N	236.080	-0.341	50	10	BBGE	
CCO[C@H]1C[C@@H](Nc2ncccc2B(O)O)C1	2217181192	NTSSSJGIGQLIIA-DTORHVGOSA-N	236.080	-0.259	50	10	BBGE	
NC1CCC(Nc2ccc(B(O)O)cn2)CC1	2217182125	ZMCXLHFHXZSRBG-UHFFFAOYSA-N	235.096	-0.557	50	10	BBGE	
Cc1cnc(N2C[C@@H](F)[C@H](C)C2)cc1B(O)O	2217182663	GCHLZGMJIKLTMW-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
Cc1cnc(OC[C@H](C)[C@H](C)N)cc1B(O)O	2217183901	OZCCAVONVYMOAA-IUCAKERBSA-N	238.096	-0.568	50	10	BBGE	
COC[C@@H](C)COc1nccc(B(O)O)c1F	2217187189	UZHIHVJAROBRNK-SSDOTTSWSA-N	243.043	-0.438	50	10	BBGE	
CCC[C@](C)(O)CNc1ccc(B(O)O)cn1	2217195850	AKQKUZYWFSCGIS-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
Cc1nc(N(C)CC[C@@H]2C[C@H]2C)ncc1B(O)O	2220936036	JNLRQFHSEQVJTG-PSASIEDQSA-N	249.123	-0.053	50	10	BBGE	
C[C@@H]1CCN1C(=O)N[C@H]1CCC=C1B(O)O	2242824052	TVXHINYGZRNQSM-APPZFPTMSA-N	224.069	-0.109	50	10	BBGE	
CC1(C)CCO[C@@H](CNC(=O)C(=O)NN)C1	2242960455	ZKADPFKFDUJUJM-SSDOTTSWSA-N	229.280	-0.702	50	10	BBGE	
CC(C)(C)CNC(=O)c1coc(B(O)O)c1	2243347244	JVDOORDDKFFAKN-UHFFFAOYSA-N	225.053	-0.265	50	10	BBGE	
CN(Cc1cccnc1)C(=O)C#CB(O)O	2243356705	LXVBDTPBXGUZNN-UHFFFAOYSA-N	218.021	-0.945	50	10	BBGE	
CCC[C@H]1C[C@H](NC(=O)C#CB(O)O)CO1	2243362232	NYQBJFOZCNCCTG-IUCAKERBSA-N	225.053	-0.924	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1CC(O)C1	2243365332	LCQOKQSYGWAWQA-UHFFFAOYSA-N	227.069	-0.635	50	10	BBGE	
CC(C)[C@H](CN)NC(=O)C1CC(B(O)O)C1	2243392997	ZFSXIOWEKRNPGJ-HACHORDNSA-N	228.101	-0.661	50	10	BBGE	
N#CC[C@@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2243397868	KNZYDMKKOYCWPS-MRVPVSSYSA-N	222.053	-0.244	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1cc(B(O)O)n[nH]1	2243398910	VCOXJZCBULNBDA-ZCFIWIBFSA-N	225.057	-0.992	50	10	BBGE	
CC[C@@H](CCCO)NC(=O)C1(B(O)O)CC1	2243410977	LPKZZUOBQQJTBJ-QMMMGPOBSA-N	229.085	-0.339	50	10	BBGE	
C=C(CS(=O)(=O)N(C)C[C@@H](C)CC)B(O)O	2243412752	SELPDSCDHUHNFJ-QMMMGPOBSA-N	249.141	-0.138	50	10	BBGE	
Cc1sc(C(=O)NOC(C)C)cc1B(O)O	2243413171	APVVLKCSBJDVKM-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2)oc1B(O)O	2243414026	RWMYUQQOVWMUNS-UHFFFAOYSA-N	223.037	-0.496	50	10	BBGE	
C=CC1(NC(=O)c2sncc2B(O)O)CC1	2243415159	PJPZTAYYMFGGTJ-UHFFFAOYSA-N	238.077	-0.729	50	10	BBGE	
CCN(C)C(=O)c1ncc(B(O)O)cc1Cl	2243415171	PQQBXZYBLVVBKZ-UHFFFAOYSA-N	242.471	-0.493	50	10	BBGE	
COCC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243427307	SXLGXFJMDUQSNR-JGVFFNPUSA-N	227.069	-0.608	50	10	BBGE	
O=C(Nc1cnccn1)[C@H]1C[C@H](B(O)O)C1	2243427425	VECMDMHRVMIOGS-LJGSYFOKSA-N	221.025	-0.332	50	10	BBGE	
C=C(CS(=O)(=O)N1CC=C[C@@H]1CF)B(O)O	2243433982	SMTMCALMCCCZJH-MRVPVSSYSA-N	249.072	-0.906	50	10	BBGE	
N#CCNC(=O)c1cccc(Cl)c1B(O)O	2243508164	CPXHLDBNEVUAIC-UHFFFAOYSA-N	238.439	-0.727	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2COC[C@H]1C2	2244497570	KBNYXAVKZRRIDX-KXUCPTDWSA-N	227.308	-0.134	50	10	BBGE	
O=C(NCCC#CB(O)O)C1(CCF)CC1	2244552147	QCTBXWOOBAJMDR-UHFFFAOYSA-N	227.044	-0.352	50	10	BBGE	
OB(O)c1cccc(F)c1Cn1cncn1	2245313713	XVYNKOONRVLUKI-UHFFFAOYSA-N	221.000	-0.855	50	10	BBGE	
C[C@@H](CNC(=O)c1coc(B(O)O)c1)C(F)F	2247732468	GCGCTXMVYCSSPK-YFKPBYRVSA-N	247.006	-0.410	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1CF)c1coc(B(O)O)c1	2247734359	SIJMEKMBGQHLBY-NKWVEPMBSA-N	241.027	-0.705	50	10	BBGE	
C[C@@H]1C[C@@]1(F)CNC(=O)c1ccc(B(O)O)o1	2247738750	VFBNBTJUTFIQKA-LHLIQPBNSA-N	241.027	-0.563	50	10	BBGE	
O=C(c1ccoc1B(O)O)N(O)C1CCCC1	2247741436	ZPZNLKVPVIWJJY-UHFFFAOYSA-N	239.036	-0.267	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)o1	2247746790	DNCAUEPOVNXTOH-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)[C@@H]1CCCO1	2247754857	GAZOOKWVUZSMLR-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cncc(B(O)O)c1	2247775713	OZNWLVAAKJKBDM-OIBJUYFYSA-N	234.064	-0.710	50	10	BBGE	
CC[C@@H](C)CN(C)C(=O)c1c[nH]nc1B(O)O	2247781551	MCWZBMANPQCOQE-SSDOTTSWSA-N	239.084	-0.792	50	10	BBGE	
O=C(N=c1cc[nH]cc1F)[C@H]1C[C@@H](B(O)O)C1	2247787274	MULJOHWGSKBGNY-KNVOCYPGSA-N	238.027	-0.166	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2247791610	NPURMXXSVJRISV-XLPZGREQSA-N	243.068	-0.837	50	10	BBGE	
CCc1ncncc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247797220	HHBGHULIHGPASB-RNFRBKRXSA-N	235.052	-0.160	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(O)C1CCOCC1	2247797843	NLMSNCAFEMRIKS-ZKCHVHJHSA-N	243.068	-0.364	50	10	BBGE	
C#CCN(CCOC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247798552	VJPFZQQQXNNSDF-MGCOHNPYSA-N	239.080	-0.652	50	10	BBGE	
COCCN(CC(C)C)C(=O)[C@@H]1C[C@H]1B(O)O	2247798721	WRHGNNTXTDCAAO-NXEZZACHSA-N	243.112	-0.020	50	10	BBGE	
Cc1ncoc1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2247804550	HLEKPRIOHNXTJG-SFYZADRCSA-N	238.052	-0.196	50	10	BBGE	
CN(CCn1cccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247808272	UGUAALBZHWLNNK-BDAKNGLRSA-N	237.068	-0.796	50	10	BBGE	
Cc1cc(C(=O)N2CCC[C@@H]2C)oc1B(O)O	2247854783	IIMPNHICFKLIOE-QMMMGPOBSA-N	237.064	-0.108	50	10	BBGE	
O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](B(O)O)C1	2247859846	QEZWADFDFSVDMD-KYXWUPHJSA-N	241.096	-0.341	50	10	BBGE	
O=C(N[C@@H]1CCN2CC[C@H]1C2)C1(B(O)O)CC1	2247871873	IRAPSICQYZZOKX-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1OC2(CNC(=O)C3(B(O)O)CC3)CC1C2	2247872036	LOFUDEFSWWURQV-ZNFPMYQNSA-N	239.080	-0.323	50	10	BBGE	
COC1CC2(C1)CN(C(=O)[C@H]1C[C@H]1B(O)O)C2	2247887453	OJVYBKIWXQOMRF-DTWKUNHWSA-N	239.080	-0.513	50	10	BBGE	
O=C(NC[C@]12COC[C@H](C1)C2)[C@H]1C[C@@H]1B(O)O	2247887670	QNINOOUEMMISFS-FTYOSLGDSA-N	239.080	-0.608	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)CO1	2247891914	QJQUAUHNOFBPJR-NFTFJBJSSA-N	241.096	-0.077	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C(=O)C1CC(B(O)O)C1	2247893431	ROXYAXPFEUUOFP-LGUIWLBCSA-N	241.096	-0.531	50	10	BBGE	
COC1(CN(C)C(=O)[C@H]2C[C@H]2B(O)O)CCC1	2247894498	HFFBRKKURHOWNF-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCOC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894844	LMLMYNIBAKVTSX-VVULQXIFSA-N	239.080	-0.610	50	10	BBGE	
CC(C)c1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)[nH][nH]1	2247895412	SCCYIYQNICDSKN-NKWVEPMBSA-N	237.068	-0.244	50	10	BBGE	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1CN	2247898223	BJIAPBASIRAKJI-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
CN1CCC(NC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247898506	FDQAALKONZJHEZ-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1C[C@H]1B(O)O	2247898918	IQPZZXRFDYHZON-VAPHQMJDSA-N	238.096	-0.813	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)[C@H]1C(=O)O	2248588302	BAHWCTBRPJSDMA-LFHVAVFRSA-N	241.052	-0.829	50	10	BBGE	
C[C@]1(C(=O)O)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2248589042	LIRGAFNGNFHPLU-BRDIYROLSA-N	241.052	-0.685	50	10	BBGE	
Cc1cc(NC(=O)c2cocc2B(O)O)on1	2249422142	BFFMXSAEHVNJDK-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1ccncc1B(O)O	2255449003	JMLACPZOGJUYOF-LDYMZIIASA-N	248.091	-0.368	50	10	BBGE	
O=C(N[C@H]1C[C@H](c2ncc[nH]2)C1)C1(B(O)O)CC1	2255487439	PJYCEQHPPIYEQR-ZKCHVHJHSA-N	249.079	-0.221	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cccc(F)c1B(O)O	2255499981	FQSQBOPKQPNPNU-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(F)cc1B(O)O	2255505457	XAPAUJSDBPRXJQ-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1ccc(C)cc1B(O)O	2255512210	WLIPMKFQPCGNOJ-SNVBAGLBSA-N	245.087	-0.231	50	10	BBGE	
CO[C@@H]1C[C@H]1NC(=O)c1ccc(C)c(B(O)O)c1	2255514466	JAAXXRHIHWRDAX-GHMZBOCLSA-N	249.075	-0.808	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1c[nH]nc1B(O)O	2255549766	IMVDGJBCBPKIEE-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
Cc1cccc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)n1	2255564356	OSMYHVVIJPMFMV-QWRGUYRKSA-N	248.091	-0.088	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1cc(F)ccc1B(O)O	2255725932	ZZBBMHXKGMLZPY-MRVPVSSYSA-N	249.050	-0.189	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cn[nH]c(=N)c2)CC1	2260965729	VQBDIOVJCWQOQB-UHFFFAOYSA-N	247.258	-0.620	50	10	BBGE	
O=C(NC[C@H]1C[C@H]2CC[C@H]1N2)[C@H]1C[C@H]1B(O)O	2298374888	RTHWQQORZAKWPR-HOTMZDKISA-N	238.096	-0.894	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2[C@@H](O)CC[C@H]2C1	2298376990	AMJMUBAPYZHTRA-CHHOWFRJSA-N	239.080	-0.921	50	10	BBGE	
C[C@]12CO[C@H](C1)[C@@H](NC(=O)C1(B(O)O)CC1)C2	2298567796	BEGMGHQLIRCUAC-QXFUBDJGSA-N	239.080	-0.323	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@H](C)CCCC(=O)NN	2302049449	HETDCTPBPGSERM-BDAKNGLRSA-N	244.339	-0.399	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2CC=CCO2)C1	2303111589	KRMRPYQFVBNXBE-ONGXEEELSA-N	239.080	-0.203	50	10	BBGE	
OB(O)c1cc(OC[C@H]2CCCN2)ncc1F	2303853855	YHKUUYBIMRYYTQ-SSDOTTSWSA-N	240.043	-0.969	50	10	BBGE	
NCCCCCOc1cc(B(O)O)c(F)cn1	2303856174	UDTYBFFLGOTIGC-UHFFFAOYSA-N	242.059	-0.592	50	10	BBGE	
C[C@@H](CN(C)C)N(C)C(=O)C1CC(B(O)O)C1	2306893079	CUTFXILYDLYNFA-IDKOKCKLSA-N	242.128	-0.352	50	10	BBGE	
CC[C@@H](CN)COc1ccc(B(O)O)cc1C#N	2317210899	GNMSKSYFJZNYSQ-VIFPVBQESA-N	248.091	-0.398	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(F)(C#N)C1	2317361265	LFQKWCCETYCZFN-UHFFFAOYSA-N	245.022	-0.710	50	10	BBGE	
NNC(=O)C(=O)NCc1cccc(F)c1	36948264	OAVNDOZBJRGKCV-UHFFFAOYSA-N	211.196	-0.568	50	10	BBGE	
O=C=N[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1	37745066	XPLDXNRYLYEFIV-MRVPVSSYSA-N	242.260	-0.144	50	10	BBGE	
CNC(=O)N([C@H](C)CC(=O)O)N(C)C	82034785	ZQIOTSSZJHNQFB-ZCFIWIBFSA-N	203.242	-0.032	50	10	BBGE	
C[C@H](CCC(=O)NN)n1cnc([N+](=O)[O-])n1	82471428	JADDQRVVWDGCHG-RXMQYKEDSA-N	228.212	-0.483	50	10	BBGE	
CNC(=O)c1ccn([C@H](C(=O)NN)C(C)C)n1	85196459	UIRFGFWQMMFKFE-QMMMGPOBSA-N	239.279	-0.570	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCC(=O)CC1	86313503	WVPGZASSOWMSAI-SFYZADRCSA-N	213.281	-0.334	50	10	BBGE	
CC(C)OCCOC[C@H]1CC[C@H](C(=O)NN)O1	104105762	PLFPZPYZCAADLP-NXEZZACHSA-N	246.307	-0.035	50	10	BBGE	
CN(C)NC(=O)c1ccnc(C(=O)O)c1	168300843	MPJWZUUYQDYEMJ-UHFFFAOYSA-N	209.205	-0.014	50	10	BBGE	
CC(=O)CCC(=O)NCCNC(=O)CCl	169920411	CHEZYBYDDGRLBS-UHFFFAOYSA-N	234.683	-0.173	50	10	BBGE	
CN(C)C(=O)CC(=O)NNC(=O)c1ccccc1	174368416	GPZDLDMOBZXOMS-UHFFFAOYSA-N	249.270	-0.074	50	10	BBGE	
CC(C)NC(=O)/C(C#N)=C\N1CCNCC1	217181716	RBXGSFKPDAXHOT-NTMALXAHSA-N	222.292	-0.176	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](COC)C1	227100814	DUNQJKHREYXHCL-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CN1CCC[C@H]2CN(CCC(=O)NN)CC[C@H]21	227352297	WAKPUODVXBYBDZ-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
COCCS[C@H](COC)C(=O)NN	232421363	ZGFLKJUIXGLHBQ-ZCFIWIBFSA-N	208.283	-0.629	50	10	BBGE	
CN1CC[C@H](NC(=O)CN(C)C(=O)CCl)C1	258686772	JGXQCQSYDMMWCB-QMMMGPOBSA-N	247.726	-0.496	50	10	BBGE	
CN(N)C(=O)C[C@@H](N)C1CCOCC1	259124117	RXOXBYVAXSBAFB-MRVPVSSYSA-N	201.270	-0.538	50	10	BBGE	
CC/C=C(\C)C(=O)NNC(=O)[C@H]1COCCO1	266675094	JAFCVUTYHJLUSV-VGANXODHSA-N	242.275	-0.095	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)O[C@H](C)C1	299994544	FFRPLVOAVQQYRU-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
O=[N+]([O-])c1cc(Br)nc(B(O)O)c1	306910929	JTUMHNHXMTUTRR-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
C[C@H]1C[C@H](O)CN1C[C@@H](C)C(=O)NN	307226060	FPLFLDSNJPUMOV-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
NC(=S)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	307387794	NFEFHLVOFGQPGO-NGJCXOISSA-N	215.278	-0.582	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CN(C)NC1=O	307552981	VLPXFOUVYZZKSH-RFZPGFLSSA-N	205.645	-0.925	50	10	BBGE	
C[C@H](Cl)C(=O)NCCc1nc(N)no1	308497285	DVDPFQKJTJGLQI-BYPYZUCNSA-N	218.644	-0.062	50	10	BBGE	
CN(C)/C=N/NC(=O)c1cnn(C)c1N	308674357	FPSJMBLSWJONFW-BJMVGYQFSA-N	210.241	-0.763	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@@](C)(OC)C1	309376429	QGHYFBRLZKLISM-WCBMZHEXSA-N	231.296	-0.898	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CNC[C@@H]1C	309657130	WHIQAQHUSABQHY-BQBZGAKWSA-N	215.253	-0.381	50	10	BBGE	
O=C(CCCCl)N1C[C@@H](O)[C@@H](CO)C1	317429927	LKRGFBRJANKWAZ-HTQZYQBOSA-N	221.684	-0.183	50	10	BBGE	
CSCCCNC(=O)NNC(N)=O	379356864	PPXMRQYUJFJSGK-UHFFFAOYSA-N	206.271	-0.378	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@H]1CCOC1	379892285	BARIUTKIYFMMCT-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
NNC(=O)c1coc(CN2CCC[C@@H](O)C2)n1	386908882	BWQQJDIABCYQPA-SSDOTTSWSA-N	240.263	-0.765	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCSC[C@@H]1CO	388187054	OLEBNEQJLDYBDS-YUMQZZPRSA-N	233.337	-0.835	50	10	BBGE	
O=S(=O)(CCCl)NCCn1cncn1	394343769	IPHLUXKASNMVPW-UHFFFAOYSA-N	238.700	-0.564	50	10	BBGE	
CCN1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NN	394368673	XPIHCSAZMPPFMZ-MNOVXSKESA-N	240.351	-0.075	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)CC[C@H]2C1	398875268	VWYOVHOWZUVXFA-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1COCCN([C@H](C)[C@@H](C)C(=O)NN)C1	399638672	GDCOTFJGGHTFBH-IVZWLZJFSA-N	229.324	-0.031	50	10	BBGE	
C[C@H](CC(=O)NN)SC[C@H]1CN(C)CCO1	400784312	QUDVRLLLFYXCKV-RKDXNWHRSA-N	247.364	-0.181	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](C)C[C@@H](O)C1	401525242	FGEXPHCKZROLQS-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
CC[S@@](=O)N(C)Cc1cccc(B(O)O)c1	404932361	MTOWTFWYWLNLOO-MRXNPFEDSA-N	241.121	-0.518	50	10	BBGE	
C[C@H](C(=O)Nc1cccc(B(O)O)n1)C1CC1	404995951	HNUNWADTVHQRDM-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CC1(C)C[C@H]1C(=O)Nc1cccc(B(O)O)n1	404996960	HIOYMKJIPQPULP-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CC[S@@](=O)Nc1cccc(B(O)O)c1	405066095	VMCYRLUATLBRTQ-CQSZACIVSA-N	213.067	-0.538	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](NC(=O)Cl)C1	575467558	AFCXXCCTWGCBCQ-YFKPBYRVSA-N	226.685	-0.031	50	10	BBGE	
O=C(O)[C@H]1OC[C@H](CCl)[C@H]1[N+](=O)[O-]	687750787	GOZHBJWNIQHRJX-LMVFSUKVSA-N	209.585	-0.030	50	10	BBGE	
Cc1ncc(CN(C)[C@H](C)CC(=O)NN)n1C	689558484	YSQVTBYTCUFZQS-MRVPVSSYSA-N	239.323	-0.071	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CN(C)C(C)(C)C1	694186611	HVUDIUJRLDWCFD-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)C[C@@H](C)O	695080369	WPFPPXWJZZYNEM-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
COC[C@H](O[C@H]1COC[C@H]1C)C(=O)NN	703546450	VEVDRXPTOQKELW-CSMHCCOUSA-N	218.253	-0.957	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](CO)[C@@H](CO)C1	704720254	UMPWJAOEBDZACS-HLTSFMKQSA-N	218.684	-0.350	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@]2(CCOC2)C1	707280160	YGMLSQZLYNHLPL-KOLCDFICSA-N	227.308	-0.133	50	10	BBGE	
CCOC[C@H]1CCN([C@H](COC)C(=O)NN)C1	708275400	ZLNAIJQDPSKTGI-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CCN1CCO[C@@H](C2CC2)C1	709914152	VHEZGPYQQHVREF-SECBINFHSA-N	213.281	-0.523	50	10	BBGE	
CC[C@@]1(O)CCCN([C@@H](COC)C(=O)NN)C1	710210533	RCDHNUBSQSGMAG-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
COC[C@H](CCCl)NCCn1cnnn1	712590099	BLAGESASDRKDOY-QMMMGPOBSA-N	233.703	-0.093	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715400449	GQJMYGUSAGMERV-DSYKOEDSSA-N	219.235	-0.048	50	10	BBGE	
CC(C)(CCN1C[C@H]2C[C@H]2C1=O)C(=O)NN	715549137	NZYLVCWDCVYSAX-HTQZYQBOSA-N	225.292	-0.129	50	10	BBGE	
CS(=O)(=O)c1cc(B(O)O)c2cc[nH]c2c1	716783306	APQZKKBYQUFPTE-UHFFFAOYSA-N	239.061	-0.749	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1cc[nH]n1	855356251	NXESOGMYDUCWRB-BDINMYNLSA-N	236.231	-0.937	50	10	BBGE	
O=C(NNC(=O)[C@@H](O)C1CCC1)c1cn[nH]c1	862469217	CEAMTOKMOFUMOZ-QMMMGPOBSA-N	238.247	-0.668	50	10	BBGE	
COC[C@@](C)(O)C(=O)NN(C)c1ccccn1	862751118	YCJHDHVGYCACGN-LLVKDONJSA-N	239.275	-0.054	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=C[C@@H]1CC1(F)F	863185996	KISYVDGPTASUCL-YFKPBYRVSA-N	240.231	-0.212	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O	863465988	NVFGMGPSKMMFFS-RNFRBKRXSA-N	248.304	-0.776	50	10	BBGE	
CO[C@H](C(=O)NNC(=O)C1CC1)[C@@H]1CCOC1	1261661679	YANGBGSBNSYRFJ-BDAKNGLRSA-N	242.275	-0.405	50	10	BBGE	
CCC[C@@H](NC(N)=O)C(=O)NN(C)C[C@@H](C)O	1299011410	SKZZBASDFRBOEE-HTQZYQBOSA-N	246.311	-0.833	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NCC(=O)N(C)OC	1299530906	WSAIQEGOENHFDT-BQYQJAHWSA-N	241.247	-0.434	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)[C@@H]1CCOC1	1327659863	PJYSZIPQVDXMEA-MRVPVSSYSA-N	237.263	-0.043	50	10	BBGE	
CON1CCC(C(=O)NNC(C)=O)CC1	1329304153	RFGCHXCHIGHNGR-UHFFFAOYSA-N	215.253	-0.573	50	10	BBGE	
Cc1cc(C=NNC(=O)C(=O)NC(C)C)on1	1347988302	QNXNJMBGENSDQY-UHFFFAOYSA-N	238.247	-0.042	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)c1cn(C)nn1	1347990313	ZKHJSIYQRFKZHO-LURJTMIESA-N	241.251	-0.999	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H](C)CC(N)=O	1624277071	MHIHWBJSBAVGHO-UQBZRGDZSA-N	225.248	-0.190	50	10	BBGE	
CN1C(=O)O[C@H]2CN(C(=O)CCl)C[C@H]21	1884552014	XOYJVLIEDHICHK-RITPCOANSA-N	218.640	-0.113	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H](O)CF)C1	1891539728	SNHHKKDCZNVLBM-SFYZADRCSA-N	205.038	-0.744	50	10	BBGE	
O=C1NCC[C@H]1CCNS(=O)(=O)CCl	1892876435	KQIVQUMILCUXME-LURJTMIESA-N	240.712	-0.372	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@@H](O)C[C@H](O)C1	1893460759	IWKOIEPXUCLWQH-DKXJUACHSA-N	219.668	-0.432	50	10	BBGE	
NNC(=O)CCO[C@@H]1CCOC[C@H]1F	1893527894	PHZINUDYHFPSRI-RNFRBKRXSA-N	206.217	-0.490	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@@H]2C[C@H]2CO)[nH]1	1894168576	QSMWLALADFYZKU-NTSWFWBYSA-N	243.698	-0.720	50	10	BBGE	
C[C@H](CCOC[C@@H]1C[C@H]1C(=O)NN)N(C)C	1895549588	KJSLURPLZMTOMP-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1C[C@@H]1C[C@H]1Cl	1897143955	GTEPXTPTRLTWIQ-JTPBWFLFSA-N	249.694	-0.506	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)C1(CO)CC1	1901764188	ROJYBNRCJRXIQL-SECBINFHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C(=O)c2cocn2)C1	1902521929	LJBPLNPYEATKRG-SECBINFHSA-N	224.025	-0.246	50	10	BBGE	
CC(C)[C@H]1C[C@@H](O)CN1CCCC(=O)NN	1903308259	UELONWOURLJYMO-NXEZZACHSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)[C@]1(NC[C@@H]2C[C@H]2Cl)CNCCOC1	1904376563	ATVLMSGZTGRZFR-XKSSXDPKSA-N	248.710	-0.354	50	10	BBGE	
C[C@H](CN(C)C)N(C)C[C@H]1C[C@@H]1C(=O)NN	1904707236	DPXFBQXESXKQOZ-BBBLOLIVSA-N	228.340	-0.506	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H](N)[C@H]2C3)CC1	1905954922	JYDUSICZMUNYKY-VDDIYKPWSA-N	235.287	-0.399	50	10	BBGE	
C[C@H]([C@@H]1C[C@@H]2CCO[C@H]12)N(C)C(=O)C(=O)NN	1911319171	IISDXHUGBZLOSI-XGEHTFHBSA-N	241.291	-0.752	50	10	BBGE	
C[C@](O)(CN1CC=C(C#N)CC1)C(=O)O	1917109224	LTIKZEDVWREXKH-JTQLQIEISA-N	210.233	-0.022	50	10	BBGE	
O=S(=O)(N[C@H]1COC[C@@H]1Cl)C1COC1	1923212215	BQBODXZZMMQATD-BQBZGAKWSA-N	241.696	-0.689	50	10	BBGE	
O=C1CC[C@H](C(=O)NNC(=O)C(F)(F)F)O1	1923407936	MACRTGULKIWZHH-GSVOUGTGSA-N	240.137	-0.598	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H](C(N)=O)C1CC1	1932387473	WHJARFFNDYZBLX-INEUFUBQSA-N	204.657	-0.006	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CC[C@H](C1)O2	1935942709	VGDYKLQCYLXNCG-KNVOCYPGSA-N	235.234	-0.525	50	10	BBGE	
CC(C)OCCN(C)C[C@@H]1C[C@H]1C(=O)NN	1936094718	PKRDQLIZDQEHLL-VHSXEESVSA-N	229.324	-0.031	50	10	BBGE	
C[C@H]1CCOCCN1CC1(C(=O)NN)CC1	1938231435	XBILYEIRJYEEHV-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@@H]2CC[C@H]21	1938600025	NMTYWUOCVRTCOQ-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@H](CO)CC1	1941090729	QKTHQTYRGKUUED-GARJFASQSA-N	241.335	-0.293	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCO)CCN(C)C	1949777647	XQIIFOBTRLKEMA-JTQLQIEISA-N	246.355	-0.999	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C[C@@H]1C[C@@H]1C(=O)NN	1950222635	GZKIEKRWHNCEOE-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
COCC[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1	1951321833	IQGBNSBGIAVMNE-RKDXNWHRSA-N	229.085	-0.266	50	10	BBGE	
CSCc1nn(C)cc1C(=O)NN	1953971667	FAJLHPVBEPMJAQ-UHFFFAOYSA-N	200.267	-0.113	50	10	BBGE	
C[C@@](O)(CCO)CNC(=O)CCCl	1954725697	WCMSUCHCCSTAEY-MRVPVSSYSA-N	209.673	-0.135	50	10	BBGE	
CCS(=O)(=O)C[C@@]1(C)CC(=O)OC1=O	1956780783	FXFPQHKEWLUJDW-MRVPVSSYSA-N	220.246	-0.099	50	10	BBGE	
CC(C)(O)[C@@H]1CN(C(=O)NN)CCO1	1957202066	VJCCTWZFNAZMME-LURJTMIESA-N	203.242	-0.959	50	10	BBGE	
CSCC[C@H](O)C(=O)N1CC[C@H](B(O)O)C1	1972404113	WXQPUPBJRHUJNA-YUMQZZPRSA-N	247.125	-0.824	50	10	BBGE	
O=C(Cn1cnnn1)N[C@H]1CC[C@H](Cl)C1	1975022774	CDBGEOONZHJJDM-BQBZGAKWSA-N	229.671	-0.051	50	10	BBGE	
CC1CC(N(C)c2ncccc2B(O)O)C1	1981424732	XPKVTCRALVQTRH-UHFFFAOYSA-N	220.081	-0.004	50	10	BBGE	
OB(O)c1csc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)n1	1981993265	OCZAABQIPWKLPW-DKXJUACHSA-N	236.105	-0.333	50	10	BBGE	
OB(O)c1cnccc1OC1CC(CF)C1	1982813793	BLZZIOZDUQIFEA-UHFFFAOYSA-N	225.028	-0.112	50	10	BBGE	
C[C@@H](CCOCC(F)(F)C(=O)NN)N(C)C	1983694149	OCJPRSJUBGNNEC-ZETCQYMHSA-N	239.266	-0.032	50	10	BBGE	
Cc1ccnnc1CN(C)[C@@H](C)C(=O)NN	1989767425	ZNQLENQJYSPGTO-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
COCC1CC(O[C@@H](COC)C(=O)NN)C1	1995355284	ZECZZPKZMKOXNC-HACHORDNSA-N	232.280	-0.567	50	10	BBGE	
CC(C)c1noc(CN(C)C(=O)C(=O)NN)n1	1997740971	VNOWHPGIGZANJY-UHFFFAOYSA-N	241.251	-0.859	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@]12CCC[C@H]1C2	1998129794	BHECDLGDMKVPQZ-MHYGZLNHSA-N	241.052	-0.781	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	1998450296	KUJJWLZCIHZJEM-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
NNC(=O)CCN1CCO[C@H]([C@H]2CCOC2)C1	2004397367	WGNVIDSXYFBHPM-UWVGGRQHSA-N	243.307	-0.896	50	10	BBGE	
Cc1nc(O[C@@H]2CO[C@H](C)C2)ccc1B(O)O	2004925444	QJAJPOCOUNHHJX-APPZFPTMSA-N	237.064	-0.374	50	10	BBGE	
OB(O)c1cnc(-n2cc(C3CC3)cn2)nc1	2004990944	MNVPIVMGFBVAEI-UHFFFAOYSA-N	230.036	-0.781	50	10	BBGE	
COc1cnn(-c2nc(C)ccc2B(O)O)c1	2005004446	GJEARSWQNGNJBE-UHFFFAOYSA-N	233.036	-0.736	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N(C)[C@@H]2C[C@H]2C)n1	2005102923	ANDRHBPJXSLEOA-HZGVNTEJSA-N	235.096	-0.382	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)C1CC(O)C1	2010835348	NMZVCDFGCHNXCB-SAAXCQNUSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](C3(O)CC3)C2)CC1	2013926824	NCCRYRULENKDTK-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC[C@H](OC)C1	2014053862	QHRYPAIWEVSEMR-KXUCPTDWSA-N	245.323	-0.509	50	10	BBGE	
COCCN(C)C1CN(CCCC(=O)NN)C1	2017467355	WAKNOGQETFMFKA-UHFFFAOYSA-N	244.339	-0.981	50	10	BBGE	
COC[C@@H](C)OC(=O)N[C@@H]1CCC=C1B(O)O	2020063140	WCNLWLQWKKBJID-VXNVDRBHSA-N	243.068	-0.152	50	10	BBGE	
CC(C)CONC(=O)c1cccc(B(O)O)c1	2022197245	ZXWFGBJOEVLVAP-UHFFFAOYSA-N	237.064	-0.316	50	10	BBGE	
CCn1cc(COc2ccccc2B(O)O)nn1	2027143872	CVSBBCQBPLXXIA-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
CCOc1cc(C)c([N+](=O)[O-])c(B(O)O)c1	2060019065	ISLQTHVXWQMHQO-UHFFFAOYSA-N	225.009	-0.018	50	10	BBGE	
COc1c(Cl)cc(B(O)O)cc1C=O	2060136737	GUTOJFFZIYXDTN-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
Cc1nc(NC(=O)CC2CCC2)ncc1B(O)O	2069485739	ZVPFILDPEZMXOG-UHFFFAOYSA-N	249.079	-0.406	50	10	BBGE	
OB(O)c1csnc1CN1C[C@@H]2CC[C@H]2C1	2211138234	RNTCZIAWGYMNOK-YUMQZZPRSA-N	238.121	-0.335	50	10	BBGE	
C[C@@]1(OCc2nscc2B(O)O)CCOC1	2211140575	OLOKEAQSTOHOGO-SECBINFHSA-N	243.093	-0.482	50	10	BBGE	
CN(CC[S@](C)=O)CC1(C(=O)NN)CCC1	2212266030	LDTSFDQJGWTZBE-INIZCTEOSA-N	247.364	-0.543	50	10	BBGE	
OB(O)c1ccnc(NCc2ncco2)c1	2212612201	ICLUFPSYMLPWEG-UHFFFAOYSA-N	219.009	-0.639	50	10	BBGE	
O=C(NNCCO)[C@H]1OCC[C@@H]1C(F)(F)F	2212643367	HUXPWUMREMGYGL-WDSKDSINSA-N	242.197	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2COC[C@@H](C1)C2(F)F	2217042870	JLGZZBNPIUMNKX-PRJMDXOYSA-N	249.261	-0.422	50	10	BBGE	
Cc1cnc(O[C@H]2CCN(C)C2)cc1B(O)O	2217182545	DZHGKTIIHCXKDA-VIFPVBQESA-N	236.080	-0.847	50	10	BBGE	
CC[C@H](C)[C@@H](CO)Nc1ncccc1B(O)O	2217183195	JMKJKIJIYLODCF-WCBMZHEXSA-N	238.096	-0.420	50	10	BBGE	
C#CC[C@H](C)CN=c1cc(B(O)O)c(C)c[nH]1	2217183976	PFIGHLDCQCJFMW-VIFPVBQESA-N	232.092	-0.437	50	10	BBGE	
CCC[C@@H](CNc1ncccc1B(O)O)OC	2217198594	DDZUGPYFBZNCCB-VIFPVBQESA-N	238.096	-0.012	50	10	BBGE	
CC[C@H]1NCC[C@H]1Nc1ncccc1B(O)O	2217199754	OXISLRXWMKKLHA-NXEZZACHSA-N	235.096	-0.686	50	10	BBGE	
C[C@H]1[C@H](N)CCCN1c1ccc(B(O)O)cn1	2217200678	VGYSYBDDXKQLHN-WCBMZHEXSA-N	235.096	-0.923	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CCCCNC1	2223665068	BTPHNDNBVDIWIY-SNVBAGLBSA-N	249.123	-0.660	50	10	BBGE	
C[C@]1(C#N)CCCN(c2cc(B(O)O)ccn2)C1	2223678229	YWVSNHYRGZDOQT-GFCCVEGCSA-N	245.091	-0.109	50	10	BBGE	
CC1(C)SC[C@@H]1NC(=O)C#CB(O)O	2241468794	VCZFEQSNDMLCEJ-LURJTMIESA-N	213.067	-0.988	50	10	BBGE	
O=C(CCCl)N1CC[C@@H](O)[C@H](O)CC1	2241589175	MIAWJKYJZFYDLK-HTQZYQBOSA-N	221.684	-0.041	50	10	BBGE	
CO[C@@H](CCl)CNS(=O)(=O)C1COC1	2242440201	QAMOBSZLWIGWEL-LURJTMIESA-N	243.712	-0.442	50	10	BBGE	
CC(C)(C)N(CCO)C(=O)C1(B(O)O)CC1	2243365352	LIALNYNEFSSCCD-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cc(B(O)O)sn1	2243377665	DTGYIFSRHWXKAA-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
C[C@H](O)CCCNC(=O)C1CC(B(O)O)C1	2243396560	NUTRIJGSFHFDPW-UEJVZZJDSA-N	229.085	-0.483	50	10	BBGE	
COC[C@H](C)[C@H](C)NC(=O)[C@H]1C[C@H]1B(O)O	2243396853	RRLPUFXYBDCXKR-XSPKLOCKSA-N	229.085	-0.364	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC=CC1	2243397923	LKNYPESDZIUCQR-UHFFFAOYSA-N	221.021	-0.720	50	10	BBGE	
CP(C)(=O)[C@@H]1CCCN1C(=O)C#CB(O)O	2243400914	JNDNUPNDEGLPBU-SECBINFHSA-N	243.008	-0.427	50	10	BBGE	
CN(CC1(CF)CCC1)C(=O)C#CB(O)O	2243401807	WYRZGXAKTBRJOW-UHFFFAOYSA-N	227.044	-0.400	50	10	BBGE	
CC1(C)CN[C@H]1CNC(=O)C1(B(O)O)CC1	2243409990	SPEMGKBSXQXFOX-ZETCQYMHSA-N	226.085	-0.892	50	10	BBGE	
O=C(N[C@H](CO)C1CCC1)[C@H]1C[C@@H]1B(O)O	2243426121	FGODXXBQUKLRBP-XHNCKOQMSA-N	227.069	-0.874	50	10	BBGE	
Cc1cnc(SCC2COC2)cc1B(O)O	2244514916	BRDAKBIWSXSUNO-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
COC[C@@H](C)OC(=O)NCCC#CB(O)O	2244534012	CJZCGJSDDUVMIT-MRVPVSSYSA-N	229.041	-0.847	50	10	BBGE	
C=CC1CN(C(=O)c2ncsc2B(O)O)C1	2245435092	HVTNHLWJOKHLAV-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
O=C(NCC[C@H]1CCO1)C1CC(B(O)O)C1	2246206612	QGSXBFYBFWRRIT-HACHORDNSA-N	227.069	-0.465	50	10	BBGE	
CN(C[C@@H]1CCOC1)C(=O)C1(B(O)O)CCC1	2247734648	VAPKYZQGTHNKPG-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1ccoc1B(O)O	2247743015	XRHOVBHITDZQEF-HQJQHLMTSA-N	235.048	-0.368	50	10	BBGE	
C[C@H]1[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1(F)F	2247744320	RAFSEGGNLXMQBK-FFWSUHOLSA-N	244.006	-0.922	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1nn(C)cc1B(O)O	2247745858	PYHZAOQNPGMZFT-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)NOC(C)C	2247760438	HZZGXIXRQOCRMX-UHFFFAOYSA-N	237.064	-0.255	50	10	BBGE	
CCC[C@H](C)N(C)C(=O)c1cc(B(O)O)n[nH]1	2247784242	RMSVUCXNRAOKKS-ZETCQYMHSA-N	239.084	-0.650	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1sc(C)cc1B(O)O	2247788078	YZYHEQUSZBELJE-MRVPVSSYSA-N	249.100	-0.416	50	10	BBGE	
CCC[C@H](CCO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247788084	ZBNVLPYJYUBNBN-KXUCPTDWSA-N	243.112	-0.093	50	10	BBGE	
Cc1cc(C(=O)N2CC3CC2C3)oc1B(O)O	2247799440	DCVRTADTTMGHCK-UHFFFAOYSA-N	235.048	-0.498	50	10	BBGE	
O=C(N[C@H]1CCC[C@H]1F)c1cc(B(O)O)c[nH]1	2247848471	MHYJCBODVUDUMK-SFYZADRCSA-N	240.043	-0.685	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1occc1B(O)O	2247854840	JCEWHUKDLNKFEZ-ZETCQYMHSA-N	236.036	-0.619	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1CCCNC1	2247855616	VISRQVDVLMDYNN-AXTSPUMRSA-N	240.112	-0.646	50	10	BBGE	
C[C@H]1CNCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247871573	DIAQIZLAENFAIJ-RKDXNWHRSA-N	240.112	-0.502	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ccncc1B(O)O	2247873134	FQTKVPWQTDNLEQ-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
CN(C)C1(CNC(=O)[C@@H]2C[C@@H]2B(O)O)CCC1	2247895842	BTHZIRMCDTXKBE-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1C2CCC1(CO)CC2	2247897614	VJIGPPUSECRQGV-GWMJWBFUSA-N	239.080	-0.635	50	10	BBGE	
CC(C)COC1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899289	MCVMQOHXNYZOSS-ZJUUUORDSA-N	241.096	-0.267	50	10	BBGE	
O=C1C[C@H](CN2CCC(B(O)O)CC2)CCN1	2249379601	XUCFTUWNFYDTAY-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCn2cncc2C1	2249737834	CDDLZTXFTQFJJD-JTQLQIEISA-N	237.307	-0.287	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC(F)(F)C[C@@H]1CO	2250229009	XAKMPXIBUBHQLM-VQVTYTSYSA-N	249.022	-0.922	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCc1ncco1	2251301901	KADPOJOROCQCQO-UHFFFAOYSA-N	234.020	-0.363	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CCC[C@H]21)c1coc(B(O)O)c1	2255453318	PZYYYRMJQLJCDN-MYJAWHEDSA-N	249.075	-0.265	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H](C2CC2)C1	2255466883	GBPHCFPCSDAMHZ-SECBINFHSA-N	248.091	-0.433	50	10	BBGE	
Cc1cccc(C(=O)Nc2cn[nH]c2)c1B(O)O	2255509771	PGNGLFYBRVTXGG-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1C2)c1cncc(B(O)O)c1	2255521069	RLCUCGSPWFKFRI-SKDRFNHKSA-N	246.075	-0.566	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1c[nH]nc1B(O)O	2255555108	WKMMLBRDMYQYBO-BKPPORCPSA-N	249.079	-0.992	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1cc(C)c(B(O)O)o1	2255574681	FWWNXPJFTKAMFE-QMMMGPOBSA-N	249.075	-0.343	50	10	BBGE	
CC1=CCN(C(=O)c2ccc(B(O)O)cn2)CC1	2255717463	KMRPPEJXOBUAOF-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CC1(NC(=O)c2ccncc2B(O)O)CCCC1	2255729736	ZZFHWZFESVZHSO-UHFFFAOYSA-N	248.091	-0.176	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC[C@@H]2C[C@H]21	2255892231	ZHUUQYWAHJJISW-LDYMZIIASA-N	246.075	-0.008	50	10	BBGE	
N[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2298368366	AFPVXZXUFSVISF-XFWSIPNHSA-N	240.112	-0.375	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2298369186	LYWAQHCJOLWDLW-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298374939	UFAFTTDMFHIODS-WLRJLXCNSA-N	238.096	-0.813	50	10	BBGE	
CC[C@@H](CCC(=O)O)NC(=O)[C@@H]1C[C@@H]1B(O)O	2298463658	RHRBNAFFXXGWTF-RNJXMRFFSA-N	243.068	-0.391	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1CCOCC(=O)NN	2299330262	AWMYXLGZCQMZBR-UWVGGRQHSA-N	243.307	-0.996	50	10	BBGE	
CN1CCN(CCC[C@@H]2C[C@H]2C(=O)NN)C1=O	2300373423	RGVQTNCYEFBSEI-RKDXNWHRSA-N	240.307	-0.240	50	10	BBGE	
C[C@H]1C(=O)NCCN1[C@H](C)CCCC(=O)NN	2302061571	TWKHIIMCNXXYOZ-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
Cc1nc(CN2CC[C@](C)(B(O)O)C2)nn1C	2303146895	JXGKTNUWESOVJE-JTQLQIEISA-N	238.100	-0.438	50	10	BBGE	
CCN1CC[C@H](N2CC[C@@](C)(B(O)O)C2)C1=O	2303159373	GEDKUHBBOKGRFK-GXSJLCMTSA-N	240.112	-0.454	50	10	BBGE	
C[C@@]12C[C@H]1CN(c1cc(B(O)O)c(F)cn1)C2	2303834311	DAZLPSPUHYVOHK-CPCISQLKSA-N	236.055	-0.253	50	10	BBGE	
C[C@H](O)[C@H]1CCN1c1ccc(B(O)O)cc1C#N	2317160311	BWXIWCAUDGIQOO-GZMMTYOYSA-N	246.075	-0.802	50	10	BBGE	
CCc1nc(C)cn1-c1cc(B(O)O)c(F)cn1	2320789246	YCEKYHKKSOSCJV-UHFFFAOYSA-N	249.054	-0.043	50	10	BBGE	
CN(C)NC(=O)CN1CSCC1=O	8049003	HRXDFPDVTBAPEO-UHFFFAOYSA-N	203.267	-0.888	50	10	BBGE	
C/C(CN1C(=O)CCC1=O)=N\NC(=O)CC#N	59502079	IPOHOLIFLQOCNL-KPKJPENVSA-N	236.231	-0.459	50	10	BBGE	
Cc1ccc(OCC(=O)NN)c([N+](=O)[O-])n1	82465325	NYISILHUTJNBPH-UHFFFAOYSA-N	226.192	-0.333	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCCN(C)C1	82470990	KLICYQYGGUKDKE-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCOCC1CC1	87400292	FUCVKWWRGQSOOB-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
COC(=O)N1CC[C@H]2C(=O)OC(=O)[C@H]2C1	107248054	LRMPCGWUPKXAAG-RITPCOANSA-N	213.189	-0.226	50	10	BBGE	
NC[C@H]1CCN(Cc2ccc(C(=O)NN)o2)C1	110577674	VXCVLIGXTZPARP-MRVPVSSYSA-N	238.291	-0.336	50	10	BBGE	
OB(O)c1cccc(COC[C@@H]2CCOC2)c1	199071357	UPLYHKBEHCXXGH-LLVKDONJSA-N	236.076	-0.081	50	10	BBGE	
C[Si](C)(C)O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	210209259	BKVGDLRCZNMWCW-NGJRWZKOSA-N	222.313	-0.723	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1N(C)C	227251597	QUUJRYIKEALMPD-GWOFURMSSA-N	242.367	-0.117	50	10	BBGE	
O=C1C[C@@H](NC(=O)NC(=O)CCCl)CN1	229239833	QRDSOYBOEQARBD-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](CO)OC[C@H]1C	251776592	MRTYGCRAILOUCR-KXUCPTDWSA-N	245.323	-0.918	50	10	BBGE	
CNNC(=O)[C@@H](N)c1ccc(OC)cc1	259146322	UHSKWUUZMOBYSL-VIFPVBQESA-N	209.249	-0.054	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@H]2C1	299996844	MKLANPPCEAVCLA-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
Cc1oc(C(=O)NN)cc1CSCC(N)=O	300826400	NTEILROLFKJGJL-UHFFFAOYSA-N	243.288	-0.090	50	10	BBGE	
C[C@H](Cl)c1nc(N)nc(N2CC(O)C2)n1	306296638	WWXFTJRMKZDRII-BYPYZUCNSA-N	229.671	-0.066	50	10	BBGE	
CCN(C(=O)NN)[C@H]1CCS(=O)(=O)C1	307223418	KCGQLHKDOYTLLM-LURJTMIESA-N	221.282	-0.921	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C)[C@@H](O)C1	307558148	CRBDLRHDDJNTCF-PRJMDXOYSA-N	201.270	-0.933	50	10	BBGE	
CC(=O)NCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	308287037	DXSVARXUPZPXBP-SFYZADRCSA-N	230.312	-0.931	50	10	BBGE	
Cc1nccn1-c1ccc(B(O)O)c(F)c1	309204801	BNFJQCYXPABNMO-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
COC[C@]1(C)CCN(C[C@H](C)C(=O)NN)C1	381374607	NPYLAZYTICPTHS-GXSJLCMTSA-N	229.324	-0.029	50	10	BBGE	
O=S(=O)(CCCl)N(CCO)CCCO	385346614	ODRWHVSRTRCQSV-UHFFFAOYSA-N	245.728	-0.768	50	10	BBGE	
C[C@H]1COCCCN1Cc1ccccc1B(O)O	398915494	JJSDSMWZXULNOV-NSHDSACASA-N	249.119	-0.023	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]1CSC	399994683	IXIHPYQAMGTHPY-BDAKNGLRSA-N	247.364	-0.181	50	10	BBGE	
C[C@H]1C[C@@H](O)CN([C@H](C)CCC(=O)NN)C1	401535714	KHNOIRCBSFIMPP-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(CCCO)C1CC1	404250941	MVMZGADCKXHLDI-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CC[S@](=O)NCc1cc(B(O)O)ccc1F	404913056	OFORTCVSVKNJPX-INIZCTEOSA-N	245.084	-0.721	50	10	BBGE	
C[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1B(O)O	404939523	HNFOSLUCRDLLHK-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
C[C@]1(C(=O)Nc2ccccc2B(O)O)CCCO1	404989869	ZQAVWEDGWHVQCU-GFCCVEGCSA-N	249.075	-0.126	50	10	BBGE	
CCC[S@](=O)Nc1ccc(B(O)O)cc1	405024568	ZHFICZMBYWTRSN-HNNXBMFYSA-N	227.094	-0.148	50	10	BBGE	
NNC(=O)CCCN1CCCOCC1=O	688114191	FGKRJAYUCGMRFU-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1CCC[C@H]1O	689815148	JGCIOYUMBJDPGF-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
CCC[S@@](=O)Nc1cccc(B(O)O)c1F	690076665	YNECLGKVFXDLAK-MRXNPFEDSA-N	245.084	-0.009	50	10	BBGE	
CC(C)N(C[C@H](C)O)[C@H](C)CC(=O)NN	692171056	ANRYBAWZOPYNFQ-BDAKNGLRSA-N	217.313	-0.154	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](C#N)C1	693907658	OHWDMDJVJIABCQ-RKDXNWHRSA-N	210.281	-0.010	50	10	BBGE	
Cc1nn(CC2CCOCC2)c(C)c1B(O)O	694269985	NNBASMZYYMFQED-UHFFFAOYSA-N	238.096	-0.394	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](C)[C@@](C)(CO)C1	694661392	LILFXFKJNOHKLN-QXFUBDJGSA-N	215.297	-0.685	50	10	BBGE	
C[C@H](CNC(=O)C(=O)NN)C(F)(F)F	697726231	HTDLUOHBQBBFNC-GSVOUGTGSA-N	213.159	-0.709	50	10	BBGE	
C[C@H](CN1CC(N2CCCCC2)C1)C(=O)NN	697751357	QXUVOCWQSKJDBK-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CN(Cc1ccccc1B(O)O)CC1(C)COC1	702960913	QDVCGGAOYDURBM-UHFFFAOYSA-N	249.119	-0.165	50	10	BBGE	
CCOC[C@H]1CN(C[C@H](C)C(=O)NN)CCO1	705879505	ROIDIKLSUJKWMH-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
C[C@H](CN1CC[C@H](O)C[C@H]1C)C(=O)NN	706206260	BCTNIEFWVJRMAR-HLTSFMKQSA-N	215.297	-0.542	50	10	BBGE	
CCn1nnnc1S[C@H](C)CCC(=O)NN	706552809	KZQMODUZNZIYKM-ZCFIWIBFSA-N	244.324	-0.056	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@H]1CO2	718318107	BOGKAKAKEGZSFO-WDSKDSINSA-N	211.670	-0.014	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCN(C(N)=O)CC1	721653043	LUSMTLAKFGUFDI-ZCFIWIBFSA-N	219.672	-0.163	50	10	BBGE	
O=C(CO)NNC(=O)c1coc(C(F)F)c1	863903255	AAIRXXSTESAZSA-UHFFFAOYSA-N	234.158	-0.030	50	10	BBGE	
O=C(CO)NNC(=O)C[C@@H]1CCC2(CCC2)O1	897313060	TXZLKGQZYHUDNF-QMMMGPOBSA-N	242.275	-0.382	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1	898586018	CAHLCMGRJZMYDW-POYBYMJQSA-N	238.247	-0.404	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)COC1CC1	911445342	SKJGJSYQFZMHKZ-SSDOTTSWSA-N	202.254	-0.491	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnnc1	1116382651	CAKOWLNWTPMUBO-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
O=C(NNC(=O)[C@H]1C[C@H]1F)[C@H]1CCCO1	1347008900	IUYJLKVOJUKHJD-RRKCRQDMSA-N	216.212	-0.329	50	10	BBGE	
O=C(CCc1cnn[nH]1)NNC(=O)NC1CC1	1464481793	NHDZEZDKHTXKMO-UHFFFAOYSA-N	238.251	-0.770	50	10	BBGE	
COc1ccccc1NNC(=O)c1nnn(C)n1	1556269603	SLCCDFIZYDBTFW-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
CCNC(=O)NNC(=O)CCc1nnc(C)o1	1583488280	CLMKLRVLEJRJKL-UHFFFAOYSA-N	241.251	-0.339	50	10	BBGE	
CN(N)CC(=O)N(NC(=O)O)C(C)(C)C	1615167027	BBGIDAKIBLERRU-UHFFFAOYSA-N	218.257	-0.398	50	10	BBGE	
C[C@@H](O)C(=O)NNc1ccc(C#N)cn1	1644368697	NRWMBDVFXAOORC-ZCFIWIBFSA-N	206.205	-0.223	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C(=O)CBr	1880043561	DMXSRQMWYKFOLV-RFZPGFLSSA-N	208.055	-0.027	50	10	BBGE	
C[C@H]1[C@@H](O)CN1S(=O)(=O)CCCl	1880920854	OHEFEUQAUIUSRY-WDSKDSINSA-N	213.686	-0.380	50	10	BBGE	
CO[C@H](CN)C(=O)NC[C@H]1C[C@@H]1Cl	1883554955	WQKPAXWHAAOFMQ-DSYKOEDSSA-N	206.673	-0.296	50	10	BBGE	
N[C@H]1CCN(C(=O)/C=C/C(=O)Cl)C1	1883646890	FWFVKEKTNWOFSX-IPWVHJGXSA-N	202.641	-0.132	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H]1CCl)c1nc[nH]n1	1885226207	JYPLMUVPULMQLP-WHFBIAKZSA-N	236.684	-0.290	50	10	BBGE	
CO[C@H](CN)CNC(=O)C=CC(=O)Cl	1888787895	LUUKTFKUGDGPEH-ZCFIWIBFSA-N	220.656	-0.602	50	10	BBGE	
C[C@H](CN(C)CC1(O)CC1)C(=O)NN	1889129040	HRZZDDKZRBJMOE-SSDOTTSWSA-N	201.270	-0.931	50	10	BBGE	
CC[C@H](C)S(=O)(=O)NCC=CB(O)O	1892926307	ZHROJICEPQTOOW-ZETCQYMHSA-N	221.087	-0.728	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2C[C@H](C1)N2	1893410332	IGKGPWACVAEXPC-KNVOCYPGSA-N	214.652	-0.119	50	10	BBGE	
CS[C@H]1CC[C@@H]1N(C)CC(=O)NN	1893808991	XAPPOBVDLWARCD-BQBZGAKWSA-N	203.311	-0.198	50	10	BBGE	
CO[C@@H]1CCN(c2nc(B(O)O)cs2)[C@H]1C	1896024232	YVNHMUHDPKVWOA-NKWVEPMBSA-N	242.109	-0.564	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@]2(CO)C1	1897332514	VGGMUZSEWYYOER-WCABBAIRSA-N	227.308	-0.541	50	10	BBGE	
CN1CC(CO[C@@H](C(=O)NN)C(C)(C)C)C1	1899504468	CFLJXNMKMWRULF-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
CC[C@H](C#N)S(=O)(=O)N1CC[C@@H](B(O)O)C1	1902512645	OFGSBFINSOKUHN-HTQZYQBOSA-N	246.097	-0.833	50	10	BBGE	
OB(O)c1csc(COc2cccnc2)n1	1902654942	XZGHBQNPLAHXEB-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
CC[C@](C)(CN1CC[C@H](O)[C@H]1C)C(=O)NN	1902713940	QXNPKWMHNBHYKM-WCABBAIRSA-N	229.324	-0.152	50	10	BBGE	
C=C1CCN(c2cc(B(O)O)c(F)cn2)C1	1903010154	MPACPJDZQJVEIM-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
CCc1cnn(CCOCCC(=O)NN)c1	1903721393	TXRLKMFIZLFYPM-UHFFFAOYSA-N	226.280	-0.158	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1C=CCC1	1905353992	QLGWBFDJQMHSCE-MRVPVSSYSA-N	223.012	-0.002	50	10	BBGE	
CC[C@H]1CCN(C(=O)C(=O)NN)CCO1	1913633124	VVOLWPPANCEGJF-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
CC1(C)CN(CCC(=O)NN)C[C@@H]1CO	1914011768	VQKLTBGFNRLAQJ-MRVPVSSYSA-N	215.297	-0.683	50	10	BBGE	
COc1ccncc1C(=O)NNC(N)=O	1927178596	GHLYXIRPPKXGTL-UHFFFAOYSA-N	210.193	-0.597	50	10	BBGE	
O=C(CCl)N1C[C@]2(CO)C[C@]2(CO)C1	1928556220	FHZLHNLDIQLAMI-DTORHVGOSA-N	219.668	-0.572	50	10	BBGE	
N#CCONc1nc(CCCl)nc(=N)[nH]1	1930370241	RZKHJZIKSSKSKG-UHFFFAOYSA-N	228.643	-0.067	50	10	BBGE	
CN(CC(CO)CO)C[C@H](O)CCl	1930666234	ZRMMIWKNDAKPGZ-MRVPVSSYSA-N	211.689	-0.881	50	10	BBGE	
CC(C)[C@@]1(O)CCN([C@H](C)C(=O)NN)C1	1930890245	ONQIZWMCXZPJIG-PSASIEDQSA-N	215.297	-0.542	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2[C@@H](C1)C2(F)F	1931858294	POJHTDGQENYHNU-CRCLSJGQSA-N	219.191	-0.910	50	10	BBGE	
CO[C@H]1CNCC[C@@H]1C(=O)NN(C)C	1932347244	JIUPXCKYURRPCD-YUMQZZPRSA-N	201.270	-0.796	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1934049757	PHHATSFRLVCSQH-RBXMUDONSA-N	213.281	-0.648	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCCO1	1936087162	ANICNYJTMJHOBA-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
N#C[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1936094222	LKGOLPOSOYXZPS-IVZWLZJFSA-N	222.292	-0.152	50	10	BBGE	
O=C(Cn1cnnc1)N[C@@H]1CCOC[C@@H]1Cl	1937147070	RWCFGPYMLZJPII-JGVFFNPUSA-N	244.682	-0.209	50	10	BBGE	
Cn1cc[nH]c(=N[C@@H]2COC[C@H]2CCl)c1=O	1937181956	MLYBYEHJIWMNAH-HTQZYQBOSA-N	243.694	-0.132	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C(CCl)[C@H]2C1	1937461682	VHGBUCNZDLDIBP-HTQZYQBOSA-N	241.682	-0.384	50	10	BBGE	
COc1ccc(C(=O)NCB(O)O)cc1C	1937769724	KHEIYUVGIRDLCB-UHFFFAOYSA-N	223.037	-0.255	50	10	BBGE	
CN1C[C@H](N2CCC(O)(C#N)CC2)[C@H](O)C1	1939746328	LJXSQZBXBLLEAX-VHSXEESVSA-N	225.292	-0.988	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2[C@@H]3CNC[C@@H]23)CC1	1940258421	JZFUYJLAWFWVRS-RKDXNWHRSA-N	235.287	-0.671	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN(CCOCC(=O)NN)C1	1941773000	QJPMCEUIVWOOKU-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)c1ccoc1CN1C[C@H](O)[C@H](F)C1	1944307839	KWFRXFOMRUBOJY-SFYZADRCSA-N	243.238	-0.602	50	10	BBGE	
COc1cc(OC)n(C[C@@H]2C[C@@H]2C(=O)NN)n1	1944785594	IUQUKPAKPJEYOU-BQBZGAKWSA-N	240.263	-0.474	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)[C@H](C3CC3)C2)CC1	1945883233	WEYIJVGCKKCPEB-UWVGGRQHSA-N	239.319	-0.541	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cc(C)nn1C	1949602429	APSVZWVIWITASA-SNVBAGLBSA-N	239.323	-0.071	50	10	BBGE	
CS(=O)(=O)c1ccc([C@@H](N)[C@H](O)C#N)cc1	1952819931	BFIGAUGKNGVAIW-NXEZZACHSA-N	240.284	-0.026	50	10	BBGE	
C[C@H]([C@]1(C)CC(=O)OC1=O)S(C)(=O)=O	1956806340	XIUWWBFDROWMOH-XRGYYRRGSA-N	220.246	-0.101	50	10	BBGE	
CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)NN	1961261255	QGAIRSVYMBVHSX-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)N1CCC[C@@]2(CCCNC2=O)C1	1977985069	IQKAXMHUIIHMEL-JTQLQIEISA-N	226.280	-0.438	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1CCOCCCl	1978820669	SWFVXMJFGGUCDG-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
CC1(C)CC(Oc2ncc(B(O)O)cn2)C1	1981422577	QMBUFOZKOYWKPJ-UHFFFAOYSA-N	222.053	-0.276	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C)C2)c1B(O)O	1981445549	KQZSZMYMYRSCOH-ZETCQYMHSA-N	221.069	-0.689	50	10	BBGE	
OB(O)c1cc(F)cnc1OC(CF)CF	1988005893	SAAKDLIMOYDAFX-UHFFFAOYSA-N	234.970	-0.413	50	10	BBGE	
O=C(NCC=CB(O)O)N1C[C@H]2CC[C@@H]2C1	1991329315	ISWMOCIIKGJSPW-RKDXNWHRSA-N	224.069	-0.394	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@H]1CCC(=O)NC1=O	1991712387	GXFMWUYSDIYZRJ-FYTLMZHYSA-N	244.634	-0.771	50	10	BBGE	
C[C@@H]1[C@@H](OCCC(=O)NN)C2CCN1CC2	1992113898	OQMIBTCQVMOAKW-LDYMZIIASA-N	227.308	-0.134	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@]1(C)CC(=O)N1	1994950055	QSMOKQZYCVDORD-CDUCUWFYSA-N	247.682	-0.282	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC(N2CC(F)C2)C1	1996926074	JMQGPPMGICEELH-YUMQZZPRSA-N	244.314	-0.661	50	10	BBGE	
CC[C@@]1(CO)COCCN1C[C@H](C)C(=O)NN	2003264955	QWNLAQNIRPNKJY-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
C[C@@H](CN1C[C@@]2(CCOC2)CC1=O)C(=O)NN	2003930222	HSBWZENJZHDPCG-GZMMTYOYSA-N	241.291	-0.749	50	10	BBGE	
COC[C@H]1CCN(c2ccncc2B(O)O)C1	2004936010	SUSSHUITMKFLFW-VIFPVBQESA-N	236.080	-0.766	50	10	BBGE	
OB(O)c1cnccc1-n1ccnc1C1CC1	2005008577	ZXGDKQKQOOYMSS-UHFFFAOYSA-N	229.048	-0.176	50	10	BBGE	
CN(CC[C@@H]1CCOC1)C[C@H]1C[C@H]1C(=O)NN	2019606195	IUGPETIVOYWBBR-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1CC(C(=O)NCC=CB(O)O)C[C@H](C)O1	2020061401	HAEQMFXPKICGJI-IUCAKERBSA-N	241.096	-0.126	50	10	BBGE	
COC[C@](C)(CN(C)CCCC(=O)NN)OC	2021116327	AOROECXPXAEACO-NSHDSACASA-N	247.339	-0.260	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@@H]3C[C@H](C2)O3)n1	2021434181	IAHXMDUFGIQSJT-DTORHVGOSA-N	234.064	-0.953	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@@H](F)C3)(C1)C2	2023851866	CIDUUYPJQDUFSW-MFAVDMRSSA-N	243.282	-0.431	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H]2C(N)=O)cc1	2028917806	CKDXVZPRNOTWQR-SNVBAGLBSA-N	248.286	-0.650	50	10	BBGE	
Cc1nc(N(C)C[C@H](C)C2CC2)ncc1B(O)O	2052552815	YJHDTQOKIDAVCZ-QMMMGPOBSA-N	249.123	-0.053	50	10	BBGE	
COc1ccc(Cl)c([N+](=O)[O-])c1B(O)O	2060014240	HJTLQPHSPQMJMJ-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
N#Cc1cc(OC(F)F)cc(B(O)O)c1C=O	2060276641	YKDPVJMFCYGBAY-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
COCc1ccc(Cn2cc(B(O)O)cn2)cc1	2071398902	AVLVAXNKHQEKEB-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
O=C(NCc1ccoc1)c1ccccc1B(O)O	2079008123	DYVLEOFPZZUPCF-UHFFFAOYSA-N	245.043	-0.111	50	10	BBGE	
Cn1cc([C@H]2C(=O)NC(=O)[C@@H]2Cl)ccc1=O	2210237096	YQFPMQYKXXRSKJ-HTQZYQBOSA-N	240.646	-0.267	50	10	BBGE	
N=c1nc(SC[C@H]2CC[C@@H]2C(=O)NN)[nH][nH]1	2211839751	YQEKGSXNPKQLPS-UHNVWZDZSA-N	242.308	-0.675	50	10	BBGE	
CC(C)[C@H](CO)Sc1ncccc1B(O)O	2212599871	OSYVRHLTRLBJCQ-VIFPVBQESA-N	241.121	-0.130	50	10	BBGE	
C#C[C@H](CCC)Nc1ccc(B(O)O)cn1	2212601367	NCAHPERSHDTANY-SNVBAGLBSA-N	218.065	-0.025	50	10	BBGE	
Cc1cnc(NC2(C)COC2)cc1B(O)O	2212604024	LAGJOGHYRIDBQC-UHFFFAOYSA-N	222.053	-0.729	50	10	BBGE	
Cc1c[nH]c(=NCCC(C)C)cc1B(O)O	2212604178	MZDGTARNLQLYTM-UHFFFAOYSA-N	222.097	-0.050	50	10	BBGE	
C#C[C@@H](CCC)Nc1cc(B(O)O)ccn1	2212609977	AHVXUBMTXXHVHE-JTQLQIEISA-N	218.065	-0.025	50	10	BBGE	
OB(O)c1cccnc1NCC1[C@H]2CC[C@H]12	2212612548	LTNQQRPOPQKRRX-YUMQZZPRSA-N	218.065	-0.171	50	10	BBGE	
C[C@H](CN(C)CC12COCC(C1)C2)C(=O)NN	2215268475	HAGGFQYXJUONFL-GRZMOONWSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](CN(C)C[C@@H](F)[C@@H]1CCOC1)C(=O)NN	2216382869	ASSOWGGHZBHYLZ-OPRDCNLKSA-N	247.314	-0.081	50	10	BBGE	
Cc1cn(-c2cc(B(O)O)c(C)cn2)c(C)n1	2217169164	CERZTOJMHPLHLL-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
OB(O)c1ccnc(OCCCNC2CC2)c1	2217186054	FMQQMNXNZSJWSD-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
NC[C@H]1CC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217197101	KJELASQUFLLRPK-WCBMZHEXSA-N	235.096	-0.699	50	10	BBGE	
CO[C@H]1CCC[C@H]1Nc1ncc(B(O)O)cn1	2217201574	RBBJWVIBPLPFBH-BDAKNGLRSA-N	237.068	-0.864	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1c1cc(B(O)O)ccn1	2217204063	DSOOUYWOJANLNJ-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
OB(O)c1cccnc1NC1[C@H]2CC[C@H]1CNC2	2223636602	LOAXRUMOOHWSOE-IUCAKERBSA-N	247.107	-0.829	50	10	BBGE	
Cc1cnc(N2C[C@H](C)N[C@H](C)C2)cc1B(O)O	2223648675	OJAOWZPZMQJICU-AOOOYVTPSA-N	249.123	-0.744	50	10	BBGE	
OB(O)c1ccnc(OC[C@@]23CC[C@H]2CNC3)c1	2223660502	MGAPMSROSYGMGG-CABZTGNLSA-N	248.091	-0.860	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]1Cl	2241907643	GNEMVCIQRLAUQM-RNFRBKRXSA-N	215.445	-0.865	50	10	BBGE	
C[C@@]12CCCC[C@H]1CN2C(=O)C#CB(O)O	2243356101	BIHWVZIYEASPGW-GXSJLCMTSA-N	221.065	-0.207	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1ccc(B(O)O)o1	2243357665	ZTYYOEHDCQDLAR-ZCFIWIBFSA-N	229.016	-0.563	50	10	BBGE	
C=C(CCN)CNC(=O)C1CC(B(O)O)C1	2243391568	LYMITYDJFFWDJU-UHFFFAOYSA-N	226.085	-0.739	50	10	BBGE	
CN(C[C@]1(C)C=CCC1)C(=O)C#CB(O)O	2243404475	OUSGRUBHXBEWSR-LLVKDONJSA-N	221.065	-0.184	50	10	BBGE	
NC[C@H]1CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243410491	CFFBIBATUFJNFN-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
O=C(NCC=C(F)F)c1sncc1B(O)O	2243768671	MDQKWZAUOUEAFU-UHFFFAOYSA-N	248.019	-0.667	50	10	BBGE	
O=C1CN(CCN2CC[C@@H]3C[C@H]32)CC(=O)O1	2245440179	HLXWZUOXUNAFJW-RKDXNWHRSA-N	224.260	-0.534	50	10	BBGE	
CNC[C@H](C)Nc1cc(B(O)O)c(Cl)cn1	2245912994	KLRBPTBOMPMQLV-LURJTMIESA-N	243.503	-0.565	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2coc(B(O)O)c2)C1	2247733776	QDRJAFHNDFXFEJ-VXNVDRBHSA-N	237.064	-0.122	50	10	BBGE	
CCN(CC)C(=O)c1nc(C)ccc1B(O)O	2247755032	IGHKQXGCLVOGHK-UHFFFAOYSA-N	236.080	-0.448	50	10	BBGE	
O=C(NC[C@@H]1CCCNC1)C1(B(O)O)CCC1	2247758368	VGFGNONKXUGZOZ-SECBINFHSA-N	240.112	-0.501	50	10	BBGE	
CO[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247790839	JTGBAXKTTYKOEP-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCNCC1	2247796790	CUCZCIIIMAAFJZ-JEZHCXPESA-N	240.112	-0.646	50	10	BBGE	
CC1(C)CNC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247797444	JRWRFKIBMYYVEG-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@@H](O)C[C@@H](F)C1	2247806870	OUUMUOXESFRWCB-BGZDPUMWSA-N	245.059	-0.829	50	10	BBGE	
Cc1noc(C)c1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247809452	ZLVLDYOPBPIYHR-CBAPKCEASA-N	238.052	-0.229	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)C[C@@H](C)[C@@H]1N	2247851585	HANWBXBQKQZZPP-KGDYZURWSA-N	240.112	-0.709	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1C[C@@H]2C[C@H]2C1	2247868536	VJVNBMCHFYJNDD-YUMQZZPRSA-N	235.048	-0.640	50	10	BBGE	
C[C@@H]1CC[C@@H](NC(=O)c2occc2B(O)O)C1	2247879115	QTSGCGUHGPPRPH-HTQZYQBOSA-N	237.064	-0.122	50	10	BBGE	
CC(C)(C)C(=O)Nc1ncc(B(O)O)cc1F	2248241124	BODHQNVYYLJOCG-UHFFFAOYSA-N	240.043	-0.115	50	10	BBGE	
CC1(F)CC(NC(=O)c2cc(B(O)O)co2)C1	2249406902	JHDJWFGTUGQHTJ-UHFFFAOYSA-N	241.027	-0.420	50	10	BBGE	
CC(C)(F)CCNC(=O)c1cocc1B(O)O	2249418507	VEMSEPOKJHTCCF-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
CCCc1cnn(C[C@H](C)C(=O)NN)c(=O)c1	2250941416	CKPQSOQEFMOTRH-QMMMGPOBSA-N	238.291	-0.178	50	10	BBGE	
C=C1CC(N(C)C(=O)c2ccncc2B(O)O)C1	2255459367	FYTLUAYMBWZKSG-UHFFFAOYSA-N	246.075	-0.448	50	10	BBGE	
C=C(C)CONC(=O)c1cc(B(O)O)ccc1C	2255514168	DVXMSTKVOLVRAC-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ncc(C)cc1B(O)O	2255556911	WYSJOVSJEYGAJW-SECBINFHSA-N	246.075	-0.789	50	10	BBGE	
Cc1ncncc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2255560379	UPTBVDKUYBXNIF-WAAGHKOSSA-N	249.079	-0.346	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CC=CC[C@H]21	2255674358	LSUXIASBUILBSA-RKDXNWHRSA-N	247.059	-0.250	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N(C)C1COC1	2255683310	UOVYAVCJCZQGEX-UHFFFAOYSA-N	249.075	-0.854	50	10	BBGE	
C[C@@H](CC1CC1)NC(=O)c1ncccc1B(O)O	2255710766	PAZGFRJLXHNVBB-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1ncc(B(O)O)cn1	2255774274	KJEQEXVOLJNKIZ-LLVKDONJSA-N	249.079	-0.925	50	10	BBGE	
CC#CCC(=O)NCc1cc(B(O)O)ccc1F	2256673892	WHYRERXLXWYZKL-UHFFFAOYSA-N	249.050	-0.465	50	10	BBGE	
NC[C@]1(F)C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298369102	IZOLPNHHNNQCHC-WZXRXUJPSA-N	244.075	-0.815	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CN1C	2298375370	HKUVDOMVABSFOF-JLIMGVALSA-N	240.112	-0.600	50	10	BBGE	
Cc1cn(-c2ccc(C=O)c(B(O)O)c2)cn1	2301421127	QDDQNSUOJZSIQZ-UHFFFAOYSA-N	230.032	-0.327	50	10	BBGE	
O=Cc1ccc(N2CCOCC2)cc1B(O)O	2301452750	LMKPGCSCJSZEJE-UHFFFAOYSA-N	235.048	-0.985	50	10	BBGE	
OB(O)c1cc(OCCNC2CC2)ncc1F	2303850736	WBBSKISJIKASEX-UHFFFAOYSA-N	240.043	-0.969	50	10	BBGE	
CO[C@H]1CNC[C@@H](N2CCC(O)(C#N)CC2)C1	2304097841	AGIVMZNMDVSBSG-WDEREUQCSA-N	239.319	-0.286	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CCCOC2)cc1B(O)O	2317312764	MKFOXGGAUYDGGU-LLVKDONJSA-N	249.075	-0.230	50	10	BBGE	
C[C@H]1C[C@H]1CCCCN=c1ncc(B(O)O)c[nH]1	2318769341	PMCHRMYFADEVNS-VHSXEESVSA-N	249.123	-0.184	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)C1CCCCC1	82470096	BLBYMALJLMXCGS-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](CN(C)C[C@@H]1CCCN1C)C(=O)NN	86190405	BZKDQTJYGRPZPC-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CC(C)(CN1CCC(C(N)=O)CC1)C(=O)NN	93727846	WBLLYBNMMRGKFH-UHFFFAOYSA-N	242.323	-0.800	50	10	BBGE	
COCCN(CCO)[C@H](C)CCC(=O)NN	124259294	BKEAUGLXNNELLL-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
C[C@H](CC(=O)O)CC(=O)NC(=O)NN(C)C	148151285	IIWYAMWWWSEZBL-LURJTMIESA-N	231.252	-0.210	50	10	BBGE	
OB(O)c1ccc([C@H]2CNCCO2)cc1	203576974	BWGXBFABZYYMMU-SNVBAGLBSA-N	207.038	-0.973	50	10	BBGE	
OB(O)c1ccc(F)cc1OC[C@@H]1CCOC1	211701855	MLJMISFVRWHENV-MRVPVSSYSA-N	240.039	-0.079	50	10	BBGE	
COCCN(C)Cc1cc(F)cc(B(O)O)c1	211704779	KTCYXBTWNHUBFX-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
Cc1cc(OCCN(C)C)ccc1B(O)O	216048545	NPUXYENJQOTVBN-UHFFFAOYSA-N	223.081	-0.385	50	10	BBGE	
COC[C@@H](CCl)NC(=O)CS(C)(=O)=O	228909032	NQGSLXBKBNVXAP-ZCFIWIBFSA-N	243.712	-0.599	50	10	BBGE	
COC[C@H](OC[C@H]1CCCO1)C(=O)NN	232417522	OOKOWEIWKXUHKN-SFYZADRCSA-N	218.253	-0.813	50	10	BBGE	
COC[C@H](OCC1CCOCC1)C(=O)NN	232418292	XQJWVCJCXYXTBA-VIFPVBQESA-N	232.280	-0.566	50	10	BBGE	
Cc1cnn(CCCC(=O)NN)c(=O)c1	235801030	NCHDMDLYOQJWIQ-UHFFFAOYSA-N	210.237	-0.678	50	10	BBGE	
C[C@@H]1CNC[C@@H](C)O[Si]2(OCCO2)O1	238453371	RIVQJDVTUSTJHC-HTQZYQBOSA-N	219.313	-0.118	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)OC[C@H]1C	251265108	ZHOCFRSOKZXKFO-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H]1CN2CCC[C@H]2CN1[C@H](C)C(=O)NN	251565598	BUQWBZOYHIHLQS-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
C[C@@H]1CCN(CCCCC(=O)NN)[C@H]1CO	299907223	HCVDIGUKBFVVPR-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
O[C@H]([C@@H]1CO1)[C@@H]1O[C@H]1CBr	307384726	JWAUKJBDJBETJU-UNTFVMJOSA-N	209.039	-0.092	50	10	BBGE	
CC1(C)CCN(CC(=O)NN)CC[S@@]1=O	321969860	AZABOEFTFLMUIB-HNNXBMFYSA-N	233.337	-0.791	50	10	BBGE	
Nc1c(B(O)O)ccc2sc(CO)cc12	396256732	ZQVROXWWWUZDDY-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1cc2cc(O)sc2cc1B(O)O	396379235	IOQNSAITZWVLEZ-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1ccon1	404908852	HEJBGYZATFQADF-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
O=C(NCc1ccccc1B(O)O)N1CCCC1	405151474	RUPUOLSTJWKBDX-UHFFFAOYSA-N	248.091	-0.328	50	10	BBGE	
C[C@@H](NC(=O)NC1CC1)c1cccc(B(O)O)c1	405152074	SNPOHXGUIMYZSE-MRVPVSSYSA-N	248.091	-0.111	50	10	BBGE	
CN(C)c1ccc(/C=C\C(=O)NCB(O)O)cc1	702032940	WCNCLFYYLLYZBP-YVMONPNESA-N	248.091	-0.106	50	10	BBGE	
CNNC(=O)[C@@H]1CCCCN1S(C)(=O)=O	704645393	TZJSZWVPZZGEGC-ZETCQYMHSA-N	235.309	-0.949	50	10	BBGE	
OB(O)c1cncc(OCCOCC2CC2)c1	708556535	PKXTUUWJNXJCEE-UHFFFAOYSA-N	237.064	-0.433	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H](O)C[C@H]1C2	710324323	KMWLHXQAYSKBGC-LXUNUROVSA-N	241.335	-0.154	50	10	BBGE	
COC1(C(F)(F)F)CN(C(=O)NN)C1	724129325	VVWJHOLXGHUOKP-UHFFFAOYSA-N	213.159	-0.167	50	10	BBGE	
Cc1ncccc1C(=O)NNC(=O)c1cnn[nH]1	731007154	HIAWELGLVDOTOC-UHFFFAOYSA-N	246.230	-0.417	50	10	BBGE	
C#CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	753987613	QQWMKZQFKPIYSV-SNVBAGLBSA-N	230.223	-0.229	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(O)(C#N)CC1	821980428	FWDNSKROXZDPPJ-MRVPVSSYSA-N	226.280	-0.895	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CC1CC1)NC(N)=O	848144100	KCTIBHUKMFKQTO-ZCFIWIBFSA-N	242.279	-0.619	50	10	BBGE	
C[C@@H]1CC[C@H](C(=O)NNC(=O)NCCF)O1	858420338	MHAWQTCYZKAGED-RNFRBKRXSA-N	233.243	-0.146	50	10	BBGE	
Cc1nnc(NNC(=O)C2CSC2)n1C	869284034	WMZPKROXAGOHRF-UHFFFAOYSA-N	227.293	-0.070	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@@]2(O)C1	882736589	NNBRVKHCFDIDSC-NTSWFWBYSA-N	211.670	-0.421	50	10	BBGE	
NC(=O)CCC(=O)NNc1cccc(F)n1	1140164849	BLYLPDUXMYWTJC-UHFFFAOYSA-N	226.211	-0.071	50	10	BBGE	
C#CCCCC(=O)NNC(=O)c1cnncc1O	1178772947	OFUPYHGTHZJOBC-UHFFFAOYSA-N	248.242	-0.253	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC12CC2	1328596035	WQZSMKFWPNFSJB-ZETCQYMHSA-N	239.275	-0.542	50	10	BBGE	
COC(=O)NNC(=O)[C@@H](OC)[C@@H]1CCOC1	1347918477	HCVGHPZFNKTZSV-RQJHMYQMSA-N	232.236	-0.575	50	10	BBGE	
CNC(=O)NNC(=O)/C=C\[C@H]1CCOC1	1543664321	MPMWMJZIKBSRRF-XDVGHUOJSA-N	213.237	-0.461	50	10	BBGE	
Cc1cc(NNC(=O)[C@H]2CCCO2)nc(N)n1	1587911453	GIJDZIHLCHLJJP-SSDOTTSWSA-N	237.263	-0.011	50	10	BBGE	
Cc1nc[nH]c1C(=O)NNc1nc[nH]n1	1651061392	HWDAHVODBHBSNA-UHFFFAOYSA-N	207.197	-0.407	50	10	BBGE	
N[C@]12C[C@H]1CN(C(=O)C=CC(=O)Cl)C2	1877510913	PGUHCDIBTHTVJT-RCOVLWMOSA-N	214.652	-0.132	50	10	BBGE	
NC[C@@H]1CNCCN1C[C@@H]1C[C@H]1Cl	1883567366	OSVIYAMMTUKEHB-DJLDLDEBSA-N	203.717	-0.154	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1C(=O)C=CC(=O)Cl	1883627337	TXYOBTWEKHYDHN-RITPCOANSA-N	203.625	-0.100	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@@H]1C[C@@H]1Cl	1883643295	AADDNWUWZKXAQC-RITPCOANSA-N	204.657	-0.936	50	10	BBGE	
CC1(O)CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	1900533382	HNKADMSWHYWZHL-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1COCC1(C)C	1901131532	WMOROUAHKMQMND-VIFPVBQESA-N	229.324	-0.029	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(CCCC(=O)NN)C2	1901298721	CEXITUUIHDPPJE-KKZNHRDASA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]2CC[C@@H]21	1909026948	NEBJPCOTSSMQCA-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
CC1(C)C[C@@H]1CCn1cc(B(O)O)cn1	1921431479	DGXMEVOOIWGBKE-QMMMGPOBSA-N	208.070	-0.001	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)Cn1nccn1	1923432078	QIGGRFNBMZKQEC-UHFFFAOYSA-N	241.251	-0.166	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC(C(F)F)C1	1927909130	VDXBKXISLCPTME-IYSWYEEDSA-N	219.235	-0.191	50	10	BBGE	
C[C@H]1CCN(CCOCC(=O)NN)[C@@H]1C	1928179246	NYSDTJLONQVHCM-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)COCCN1CC[C@H]1C1CC1	1928181332	MHDFGVOMEDBXKF-VIFPVBQESA-N	213.281	-0.523	50	10	BBGE	
O=C(Cn1cnnn1)NC1(CCl)CCC1	1928695384	BAEJGYRAOPNFQI-UHFFFAOYSA-N	229.671	-0.049	50	10	BBGE	
CCn1nc(C)cc1C(=O)NNCCO	1929837035	SXKANNTYRVQEIF-UHFFFAOYSA-N	212.253	-0.562	50	10	BBGE	
CN1C[C@H](Cl)[C@@H](N=c2nc[nH]n2C)C1	1930292484	AIXZBMQRYPPCKS-BQBZGAKWSA-N	215.688	-0.430	50	10	BBGE	
O=c1[nH]cc[nH]c1=NC[C@H]1COC[C@H]1Cl	1933392434	OAYLVCKXTCJKJL-NKWVEPMBSA-N	229.667	-0.143	50	10	BBGE	
Cn1cc([C@H]2CS(=O)(=O)C[C@@H]2Cl)nn1	1934429489	YTTVHKWMTYZIPS-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](O)[C@@H](F)C1	1936089711	DQLVJUYUZBFDCB-KZVJFYERSA-N	231.271	-0.983	50	10	BBGE	
N#CC1CCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1936093177	BKEJZFUXBPHLRB-ZJUUUORDSA-N	222.292	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CCC(CCO)CC1	1941090161	NLYNQMXUPRULIK-MNOVXSKESA-N	241.335	-0.293	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1CC[C@@H]2O)C(=O)NN	1941288363	NTQZDBYMWPNQOA-BBBLOLIVSA-N	241.335	-0.152	50	10	BBGE	
CN(C)NC(=O)N1CCn2ncc(C(=O)O)c21	1941424083	DFVJGCYRWPVCIJ-UHFFFAOYSA-N	239.235	-0.413	50	10	BBGE	
C[C@@H]1CCCN(CCOCC(=O)NN)[C@H]1CO	1941771987	BXMAYCDNNZIMFD-ZJUUUORDSA-N	245.323	-0.914	50	10	BBGE	
CC(C)[C@]1(O)CCN(CCOCC(=O)NN)C1	1945548994	LAIUUSDSVDAIAL-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CN(C)C[C@@H]1C[C@H]1C(=O)NN	1947069910	LEYNOAZWGJMOPS-LMLFDSFASA-N	241.335	-0.031	50	10	BBGE	
CC(C)CNC(=O)N1CC[C@H](B(O)O)C1	1951320326	GQHLRTFZWXGMDG-QMMMGPOBSA-N	214.074	-0.099	50	10	BBGE	
CC(=O)N[C@H](CS(C)(=O)=O)[C@@H](O)CCl	1951637933	BDKYYCGHRDFXBN-RQJHMYQMSA-N	243.712	-0.865	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NCB(O)O	1956212266	WICZMCPLFUJPSO-UHNVWZDZSA-N	206.985	-0.594	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2N)CC1	1957822537	PTKCEFWDFREONL-SFYZADRCSA-N	209.249	-0.789	50	10	BBGE	
C[C@@H]1CC[C@@H](CN(C)C(=O)C(=O)NN)C1	1957990172	XVTDVJJXEKYVPN-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
C[C@H](CO)N1CCN(C[C@H](O)CCl)CC1	1961173236	AEQOSUWYPCHMNC-NXEZZACHSA-N	236.743	-0.416	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC(F)F)n1	1961690517	FSFLAMWLHDZMDN-UHFFFAOYSA-N	217.968	-0.891	50	10	BBGE	
C#C[C@@H]1CCN1C(=O)c1cc(B(O)O)ccc1F	1965409291	BRSSTIWZPALTLT-SECBINFHSA-N	247.034	-0.647	50	10	BBGE	
C=C(Cl)COc1ncnc(C)c1B(O)O	1975115763	OQFZGVGHKSFZEI-UHFFFAOYSA-N	228.444	-0.404	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1[C@H]2CCCCC[C@H]21	1979729951	GDJYCAUEDJAOOF-BRPSZJMVSA-N	225.292	-0.081	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](CO)[C@@H](F)C1	1983556906	CHRBYMJPHVQICE-VGMNWLOBSA-N	233.287	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCOC[C@H]1CF	1985769433	KECMGHKPHBCCLP-IWSPIJDZSA-N	231.271	-0.717	50	10	BBGE	
C[C@@H](OC1CC(n2cnnc2)C1)C(=O)NN	1986221644	QVEDJHFYYRBWJG-JECWYVHBSA-N	225.252	-0.623	50	10	BBGE	
Cc1ncc(OC[C@H]2C[C@H]2F)cc1B(O)O	1987884310	JIJLCFCTIKOLCO-GMSGAONNSA-N	225.028	-0.193	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1CS[C@@H](C)C1	1988350941	JKRGIILMGNNISF-DJLDLDEBSA-N	247.364	-0.183	50	10	BBGE	
CCCN(CCOC)CC(=O)NNC(C)=O	1990773550	XEAAJJZWNWDMRB-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
C[C@@H]1CCO[C@H]1CC(=O)NCC=CB(O)O	1991333381	CQJREHHAJYRMCD-BDAKNGLRSA-N	227.069	-0.514	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC(=O)NCC1CC1	1991648501	PHRAPHWAJNKNSH-UHFFFAOYSA-N	244.678	-0.050	50	10	BBGE	
OB(O)c1cnccc1N1[C@H]2CCC[C@H]1C2	1992322724	UIPDDHLVRMTBGA-IUCAKERBSA-N	218.065	-0.107	50	10	BBGE	
CC(C)[C@@H](SCCOC1CNC1)C(=O)NN	1993410634	IYMUBZBIWVEREQ-SECBINFHSA-N	247.364	-0.278	50	10	BBGE	
CC[C@H](OC)C(=O)Nc1ccc(B(O)O)cn1	1996647303	KSUNLGVOGTWWJZ-QMMMGPOBSA-N	238.052	-0.875	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(N2CC(F)C2)C1	1996926072	JMQGPPMGICEELH-JGVFFNPUSA-N	244.314	-0.661	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1nc(C2CC2)no1	1997739557	XTNPQVRGKWMLFC-ZCFIWIBFSA-N	239.279	-0.243	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1997763972	CRIOMQBJOSQMSN-HTQZYQBOSA-N	239.279	-0.169	50	10	BBGE	
Cc1cc(C(=O)N[C@H](CB(O)O)C(=O)O)co1	1998126433	SLBJXAXVTPZYMF-SSDOTTSWSA-N	241.008	-0.756	50	10	BBGE	
C[C@H]1N(c2ncncc2B(O)O)CCC1(F)F	2004911044	BUJBFHUJAQOMPF-ZCFIWIBFSA-N	243.022	-0.610	50	10	BBGE	
CC[C@H]1CCN(c2ncncc2B(O)O)[C@H]1C	2004912741	XOELVIYJJLPZJW-IUCAKERBSA-N	235.096	-0.219	50	10	BBGE	
CCN(C[C@H](C)OC)c1ccncc1B(O)O	2004925989	YBJPSHOCIZLMJJ-VIFPVBQESA-N	238.096	-0.377	50	10	BBGE	
Cc1nc(Sc2cnccn2)ncc1B(O)O	2004990909	LXUGERXZPJWCCL-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCC(C)(C)C(=O)NN	2005874578	YQVQZNUHOJTDGB-MRVPVSSYSA-N	243.307	-0.360	50	10	BBGE	
C[C@H]1[C@H](Cn2cc(B(O)O)ccc2=O)C1(F)F	2008839941	FBJGREAGPXAPGQ-XPUUQOCRSA-N	243.018	-0.571	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccc(C(=O)NN)cn1	2011371851	FENHDKQISPIIDD-XCBNKYQSSA-N	236.275	-0.750	50	10	BBGE	
CO[C@@H]1CCC[C@@H]1N(C)CC(=O)NNC(C)=O	2019208117	FJHLMNWZHCRMPA-VHSXEESVSA-N	243.307	-0.347	50	10	BBGE	
CCN1CC[C@@H](N(C)CC(=O)NNC(C)=O)C1	2019216017	YUICDMDXHCNLGT-SNVBAGLBSA-N	242.323	-0.820	50	10	BBGE	
C=C(CN1CC[C@H]2CCN(C)C[C@H]2C1)B(O)O	2021158738	HTPNZTQYFJGQDS-NEPJUHHUSA-N	238.140	-0.172	50	10	BBGE	
N#CC1(O)CCN(C(=O)CCn2cnnc2)CC1	2029802591	MLTNTOHMCVIVNQ-UHFFFAOYSA-N	249.274	-0.455	50	10	BBGE	
COc1cc(C#N)c(Cl)cc1B(O)O	2060105611	GOVNROTZUBJWKP-UHFFFAOYSA-N	211.413	-0.100	50	10	BBGE	
C[C@@H]1CCC[C@@H](C(=O)NNCCO)O1	2209647389	NBOFXJKWXIIQJD-SFYZADRCSA-N	202.254	-0.443	50	10	BBGE	
CC[C@H](CO)N(C)CC1(C(=O)NN)CCC1	2212267616	WSWDURFVYUBEHW-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccc(=NCc2ccsc2)[nH]c1	2212611859	DYXNKWFDSJDQOS-UHFFFAOYSA-N	234.089	-0.143	50	10	BBGE	
OB(O)c1ccnc(NC2CC(CF)C2)c1	2212613466	VWXRZFUMIFTMFN-UHFFFAOYSA-N	224.044	-0.079	50	10	BBGE	
CO[C@]12CC[C@@H]1CN(C[C@H]1C[C@@H]1C(=O)NN)C2	2216684053	JQCAORLDKPURHF-SVDPJWKOSA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CC[C@H]3CC[C@H]32)nc1	2217176434	WGWXFRVEJJALQB-SZEHBUNVSA-N	233.080	-0.243	50	10	BBGE	
CC1(C)C[C@H](Nc2ncccc2B(O)O)CO1	2217180405	SUAQPAJUWXFHOX-QMMMGPOBSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(O[C@@H]2CNC[C@H]2C)cc1B(O)O	2217184814	WQFVLFRYRGOEFC-PSASIEDQSA-N	236.080	-0.943	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCCOCC2)nc1	2217184927	SHRCDFPPJDGHLW-VIFPVBQESA-N	237.068	-0.863	50	10	BBGE	
N[C@H]1CCC[C@@H](Oc2cc(B(O)O)ccn2)C1	2217187244	VOYRVGLKJTYYKV-VHSXEESVSA-N	236.080	-0.590	50	10	BBGE	
CC(C)N(CCCO)c1cc(B(O)O)ccn1	2217195487	KPTGOMWAZKATSY-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
CC(C)[C@](C)(O)CNc1cc(B(O)O)ccn1	2217195518	LBTQFGYVCVKNRJ-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@@H]2Nc1cc(B(O)O)ccn1	2223632230	HHANSVCSVRANSG-PTOFAABTSA-N	248.091	-0.666	50	10	BBGE	
C[C@@H]1COC(C)(C)CN1CC(=O)NN	2241569962	DLOFRZMFDDEEEU-SSDOTTSWSA-N	201.270	-0.524	50	10	BBGE	
CO[C@@H](C)CN(C(=O)C#CB(O)O)C(C)C	2243356309	FPMPQIOKHKSAOF-VIFPVBQESA-N	227.069	-0.726	50	10	BBGE	
CN(CCC#N)C(=O)c1csc(B(O)O)c1	2243362818	WZANEFRNYDFISM-UHFFFAOYSA-N	238.077	-0.586	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@@H](B(O)O)C2)[nH][nH]1	2243382035	KQTKQCLYYPCTLF-KNVOCYPGSA-N	223.041	-0.668	50	10	BBGE	
CN(C)CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2243390831	BWMQDAGARHLWEI-JGVFFNPUSA-N	226.085	-0.940	50	10	BBGE	
C[C@@]12CSC[C@H]1CN(C(=O)C#CB(O)O)C2	2243401398	QMMXOEDPBHVNDP-PSASIEDQSA-N	239.105	-0.787	50	10	BBGE	
CO[C@@H]1C=CCN(C(=O)C2(B(O)O)CC2)C1	2243409267	FCQBHRCCCUXJJU-MRVPVSSYSA-N	225.053	-0.593	50	10	BBGE	
N=C(O)OCCNC(=O)C1(B(O)O)CCC1	2243410826	ILCSMOHUMYZFBT-UHFFFAOYSA-N	230.029	-0.991	50	10	BBGE	
O=C(NCCOC(F)F)C1CC(B(O)O)C1	2243414053	SINYWMUCMMHNLW-UHFFFAOYSA-N	237.011	-0.405	50	10	BBGE	
C[C@@H](F)CCNC(=O)c1sncc1B(O)O	2243415584	YBRLVNQLDQQPEY-RXMQYKEDSA-N	246.072	-0.699	50	10	BBGE	
C=C(CS(=O)(=O)N1CCCC12CC2)B(O)O	2243432491	APYWFPWSCGQTIS-UHFFFAOYSA-N	245.109	-0.487	50	10	BBGE	
O=C(C=Cc1ccco1)NCC#CB(O)O	2243678153	FTILLDIEXPUETP-UHFFFAOYSA-N	219.005	-0.576	50	10	BBGE	
CSCCCOc1ncc(B(O)O)c(C)n1	2244784812	VCDYEXLZSJSQIK-UHFFFAOYSA-N	242.109	-0.403	50	10	BBGE	
COCc1ccc(NC(=O)C(=O)NN)nc1	2244864240	ZRSHGZKSHJOLEF-UHFFFAOYSA-N	224.220	-0.844	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)[C@H]1CCOC1	2247736001	RESIAZUTXCGSKZ-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2ccoc2B(O)O)C1	2247739722	AEPGKXICSTVGIX-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
CC1CC(CNC(=O)c2cc(B(O)O)c[nH]2)C1	2247739828	BSSMERZCVKXWOP-UHFFFAOYSA-N	236.080	-0.530	50	10	BBGE	
CC[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747644	QMTJDZLYJDQSMO-SFYZADRCSA-N	238.096	-0.141	50	10	BBGE	
CC1(C)C[C@H](CN)CN1C(=O)C1(B(O)O)CC1	2247754060	DHNRSICXQKHPEM-MRVPVSSYSA-N	240.112	-0.421	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@@H]1O)C1(B(O)O)CC1	2247754149	CDPDCVAJPBFQTB-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
CC(C)[C@@H](CNC(=O)C1(B(O)O)CC1)N(C)C	2247754752	FLOLSSABQZSDGU-SECBINFHSA-N	242.128	-0.304	50	10	BBGE	
C[C@H](F)CNC(=O)c1ccc(F)cc1B(O)O	2247759381	PJVMXLHQLZBCLX-LURJTMIESA-N	243.018	-0.407	50	10	BBGE	
CCN(OC)C(=O)c1ccc(C)c(B(O)O)c1	2247760472	IQJWXTHGEZJEQY-UHFFFAOYSA-N	237.064	-0.302	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCCC#N	2247760664	LLOZBUXNWGMCBY-UHFFFAOYSA-N	232.048	-0.682	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C	2247765808	FMRKWRBPBPLRLD-MRVPVSSYSA-N	236.080	-0.601	50	10	BBGE	
CC[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)cn1	2247769237	GDVMKKKEKZTHKV-XVKPBYJWSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H](CO)CCCNC(=O)C1CC(B(O)O)C1	2247797642	LRJBECWZOSENHE-XNWIYYODSA-N	243.112	-0.236	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1CCNCC1	2247801069	WNMUUSVKSNOISE-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1B(O)O	2247805960	LOGSTZCSMMWXCW-BDAKNGLRSA-N	237.068	-0.759	50	10	BBGE	
CO[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247806902	GTWMVHGQLGCDIX-KYXWUPHJSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCc1cnccn1)C1CC(B(O)O)C1	2247809374	YVEIWCZKQIZPOV-UHFFFAOYSA-N	235.052	-0.654	50	10	BBGE	
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2B(O)O)ncn1	2247809825	RMLSCFDSKZGCOG-RQJHMYQMSA-N	232.008	-0.850	50	10	BBGE	
O=C(NCCCc1cnoc1)[C@H]1C[C@H]1B(O)O	2247809958	SOPFSASYXTVPCF-DTWKUNHWSA-N	238.052	-0.414	50	10	BBGE	
CCC[C@@H](C)N(C)C(=O)c1cc(B(O)O)c[nH]1	2247850346	NFTXJBOEQMMCQU-MRVPVSSYSA-N	238.096	-0.045	50	10	BBGE	
C#C[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2247856717	MNYZEWOYNCGTEZ-SECBINFHSA-N	233.032	-0.899	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1cc(B(O)O)cn1C	2247869078	LQMCDWYBLQIMQW-QMMMGPOBSA-N	238.096	-0.521	50	10	BBGE	
C[C@@H]1C[C@@H]1CNC(=O)c1ncccc1B(O)O	2247869172	MZZJJAWJXOHCFJ-HTQZYQBOSA-N	234.064	-0.853	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C(=O)C2CC(B(O)O)C2)C1	2247891449	JBEFLCMEGDDKFT-AUXWQGHOSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1C	2247896997	MSMSFQFIFMDHLN-AXTSPUMRSA-N	240.112	-0.552	50	10	BBGE	
NCC1(F)CC(CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247899727	PTEDXTRNAFXAGH-CINMIUTLSA-N	244.075	-0.958	50	10	BBGE	
O=C(O)CC1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2248574217	QBDYXTSPOHLQAE-OCAPTIKFSA-N	241.052	-0.828	50	10	BBGE	
CN1CC[C@H](C(=O)N2CCC(B(O)O)CC2)C1	2249358488	WKYBOGRQFZMSKO-VIFPVBQESA-N	240.112	-0.597	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@@H]1CNCC12CC2	2249968878	AFRMUASAQNLIKO-MRVPVSSYSA-N	238.096	-0.796	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]2C[C@H]12)c1ccoc1B(O)O	2255460972	AODMDDFJLHSEFM-WEDXCCLWSA-N	249.075	-0.265	50	10	BBGE	
Cc1[nH]nc2c1CN(C(=O)[C@H]1C[C@@H]1B(O)O)CC2	2255567750	FEWCBWPJQDMUAG-CBAPKCEASA-N	249.079	-0.534	50	10	BBGE	
Cc1cnc(N2C[C@H]3C=C[C@@H]2C3)cc1B(O)O	2298224457	HMBDOSFOUYTJMV-VHSXEESVSA-N	230.076	-0.165	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369643	ALFSNMJAACSXTE-YSSBGUOXSA-N	239.080	-0.513	50	10	BBGE	
C[C@H]1CN(C)[C@H](C)CN1C(=O)[C@H]1C[C@H]1B(O)O	2298369851	HKUVDOMVABSFOF-XFWSIPNHSA-N	240.112	-0.600	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298375357	GZENEMNNNUQUPY-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298376528	ADOOKQVCVRSIQJ-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1CCOCC(=O)NN	2300042288	OLBHEMLDROTMDE-MWLCHTKSSA-N	245.323	-0.772	50	10	BBGE	
CO[C@@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301423540	UFZAHRIWYUPHPT-QMMMGPOBSA-N	237.064	-0.374	50	10	BBGE	
Cc1cc(NC(=O)C2(O)CC2)ccc1B(O)O	2301919868	VIGUUADXFBPXFI-UHFFFAOYSA-N	235.048	-0.862	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2CC(=O)NNC(C)=O	2302212479	AIPCPGPZIPLULP-AEJSXWLSSA-N	241.291	-0.737	50	10	BBGE	
O=C(O)[C@H]1CC[C@H]1C(=O)N1CC[C@H](B(O)O)C1	2303113354	ZWUJTSBLMZYXGR-RNJXMRFFSA-N	241.052	-0.828	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@@H](F)C2)[nH]cc1F	2307393496	AVXZEOPZAPWJBC-KNVOCYPGSA-N	242.034	-0.518	50	10	BBGE	
CCNCCCNc1ccc(B(O)O)cc1C#N	2317151373	QBXBQMFOFMHWIT-UHFFFAOYSA-N	247.107	-0.350	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC2(CCO2)C1	2317164142	WAAUWTUFILVYLY-UHFFFAOYSA-N	244.059	-0.783	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@H]1CCOC1	2317311065	KHFMNNXLRTVODH-NSHDSACASA-N	249.075	-0.596	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)CSc1nnnn1C	6370575	NOLDPRXTKOIEGI-AATRIKPKSA-N	238.276	-0.372	50	10	BBGE	
COC(=O)CN1CCN(C(=O)[C@H](C)Cl)CC1	37834478	GGNFCQVAAQSBSE-QMMMGPOBSA-N	248.710	-0.069	50	10	BBGE	
CC(=O)O[C@H]1CC(=O)N2CC=C(C=O)[C@@H]12	75617310	AFHHYXYMSTYZHM-WPRPVWTQSA-N	209.201	-0.342	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](COCC2CC2)O1	82464656	VEGUHRHOFZERIZ-RKDXNWHRSA-N	214.265	-0.050	50	10	BBGE	
Cn1nnnc1N1CCO[C@@H](CCl)C1	88095886	SARBNSMFEBJCCQ-LURJTMIESA-N	217.660	-0.346	50	10	BBGE	
NNC(=O)Cn1ccc(-c2cccnc2)n1	101272311	MANYZDPFZSZSRK-UHFFFAOYSA-N	217.232	-0.065	50	10	BBGE	
NNC(=O)c1occc1CN1CCC(N)CC1	104120162	CELXGYOZWQFWDI-UHFFFAOYSA-N	238.291	-0.194	50	10	BBGE	
NNC(=O)Cn1c2c(ccc1=O)CCC2	127716590	UBJYUKAITOPEPY-UHFFFAOYSA-N	207.233	-0.673	50	10	BBGE	
C[C@@H](CNC(=O)NC(=O)CCl)[S@@](C)=O	135302448	OGWJKSCYWUEQFS-UWORMDEDSA-N	240.712	-0.182	50	10	BBGE	
COC(=O)NCc1ccc(B(O)O)cc1	196167867	LVXLCFQGKRLEBN-UHFFFAOYSA-N	209.010	-0.778	50	10	BBGE	
CCc1nccn1-c1cccc(B(O)O)n1	198083427	WCYZQKZNNZKTTH-UHFFFAOYSA-N	217.037	-0.491	50	10	BBGE	
OB(O)c1cccc(N2CCN(C3CC3)CC2)c1	204248508	QKKCRSLKELPLJZ-UHFFFAOYSA-N	246.119	-0.349	50	10	BBGE	
CNC(=O)C(C)(C)CNS(=O)(=O)CCl	230408581	AHTSIYMOHNGXFN-UHFFFAOYSA-N	242.728	-0.126	50	10	BBGE	
COC[C@@H](SCCC(=O)OC)C(=O)NN	232421371	XKLJTSNFGLIURF-ZCFIWIBFSA-N	236.293	-0.712	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](NC(=O)CCl)C1	306666211	ZGGXWEBMKOTUSO-LURJTMIESA-N	240.712	-0.625	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1C[C@H]2C[C@H]2C1	307238785	OYRLOKRCKBHSRP-AOOOYVTPSA-N	235.067	-0.043	50	10	BBGE	
CNC(=O)[C@@H]1CCN(C(=O)CCl)C1	307482793	ZHTQBQWQGJGACE-ZCFIWIBFSA-N	204.657	-0.180	50	10	BBGE	
CC[C@@H](O)C(=O)NNC(=O)CSC	308421205	OUTDWGBDUBXXFQ-RXMQYKEDSA-N	206.267	-0.732	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](O)C1(C)C	308872870	ZSQQXARLIMKVKW-HTQZYQBOSA-N	215.297	-0.400	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N[C@H]1CC(=O)N(C)C1	309488552	XQVYRGGQZGHSAM-WDSKDSINSA-N	247.682	-0.330	50	10	BBGE	
CC[C@H](On1nnc2ccccc21)C(=O)NN	310398506	TYIWEPYQIBGZMF-VIFPVBQESA-N	235.247	-0.372	50	10	BBGE	
OB(O)c1ccccc1OCO[C@H]1CCOC1	379859305	JAOYMWAVKAPFCX-VIFPVBQESA-N	238.048	-0.492	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C1	380025021	OXUQQBPLNAHYAC-SCSAIBSYSA-N	225.170	-0.613	50	10	BBGE	
O=C(O)COc1ccc2cc(B(O)O)[nH]c2c1	394753136	OYGJWIHTQAQLJH-UHFFFAOYSA-N	235.004	-0.689	50	10	BBGE	
N#Cc1ccc(CC(=O)CCl)c(B(O)O)c1	396074046	GJAOLMRVPVZULL-UHFFFAOYSA-N	237.451	-0.412	50	10	BBGE	
Cc1ccc(CCC(=O)O)cc1B(O)O	396131068	HTPQLHBSBLNBJK-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
CCC[C@@H]1COC[C@@H]1N(C)CC(=O)NN	688158534	GLPACEPGXGMBKU-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
CN(CCCCC(=O)NN)CC(C)(CO)CO	689873639	IDHYOLSSSHXOEE-UHFFFAOYSA-N	247.339	-0.931	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@@H](COC)OC	691288287	UOJJWXPZLGFMDB-UWVGGRQHSA-N	247.339	-0.262	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CCOCC2)CC1	692107725	ORXGBABWRSLHEU-UHFFFAOYSA-N	239.275	-0.211	50	10	BBGE	
C[C@@H]1CNC[C@H]1C(=O)N1CCC(O)(C#N)CC1	692124646	NNCINBDFKIMGIJ-NXEZZACHSA-N	237.303	-0.281	50	10	BBGE	
NC(=O)CN1CCC(NC(=O)OCCl)CC1	692896959	UCRCNADQUABFRD-UHFFFAOYSA-N	249.698	-0.141	50	10	BBGE	
Cc1nn(Cc2cc(C(=O)NN)co2)c(=O)o1	694813867	BRQFFOCTLIXOBF-UHFFFAOYSA-N	238.203	-0.610	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	695087077	LHVUIOINCYZOHH-IVZWLZJFSA-N	227.308	-0.136	50	10	BBGE	
CCN(CC(N)=O)[C@@H](CC(C)C)C(=O)NN	695098685	IWXYGNLCMSWHHF-QMMMGPOBSA-N	230.312	-0.802	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@@H](O)C[C@@H]1CO	698211601	CMPQLZIUWCHNTR-PRJMDXOYSA-N	221.684	-0.185	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(N2CCCC2)C1	700523549	XQMCHHPVQITOEP-NSHDSACASA-N	240.351	-0.075	50	10	BBGE	
COc1cncc(CN(C)[C@@H](C)C(=O)NN)c1	704217756	HAUSBMWOIDIZFV-QMMMGPOBSA-N	238.291	-0.100	50	10	BBGE	
CC(C)(C)N(CCCO)CCC(=O)NN	708503407	HVPGVPWOIJHFAX-UHFFFAOYSA-N	217.313	-0.151	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1	709389863	ICSNBZMPAXODPJ-MYJAWHEDSA-N	236.271	-0.244	50	10	BBGE	
C#CC[C@H](O)CNS(=O)(=O)CCCCl	717912492	JSRLMWPEZNONAV-QMMMGPOBSA-N	239.724	-0.081	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CNC[C@H](O)C1	722410936	XUOKYRMWUKARTQ-BIIVOSGPSA-N	220.700	-0.300	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2C(C(=O)O)[C@@H]2C1	725654544	HJMHHAPLYMXYIH-PHDIDXHHSA-N	213.237	-0.565	50	10	BBGE	
C#CC[C@@H](COC)NCc1ccccc1B(O)O	863892505	ZALAWKUMGDACNC-LBPRGKRZSA-N	247.103	-0.506	50	10	BBGE	
CCNC(=O)NNC(=O)[C@@H]1C[C@@H](C)CO1	900386232	NQLSJJBLXAQBPH-RQJHMYQMSA-N	215.253	-0.238	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1(n2cccn2)CC1	931119929	UMMCHQVIFCSXJR-UHFFFAOYSA-N	237.263	-0.325	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C/Cn1cncn1	1339053372	GHXBLWNFBWGLES-ONEGZZNKSA-N	238.251	-0.863	50	10	BBGE	
CC(=O)NNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3	1346141348	MCZVIFNGEFODGY-PRKAOEEVSA-N	237.259	-0.932	50	10	BBGE	
C#CCC[C@H](O)CNCc1ccc(B(O)O)cc1	1621504053	RKURVCIFXARCRP-ZDUSSCGKSA-N	247.103	-0.770	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC1(CO)CO	1883377649	PFQGNKBNFCPOCR-SSDOTTSWSA-N	204.657	-0.454	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC([C@@H](O)CO)C1	1887273015	FXWJRGPMQHOKIL-YUMQZZPRSA-N	221.684	-0.185	50	10	BBGE	
CN(NC(=O)NCC1CC1)S(C)(=O)=O	1888554862	QXIFBTXILOGFGG-UHFFFAOYSA-N	221.282	-0.498	50	10	BBGE	
CN(NC(=O)CCS)S(=O)(=O)C1CC1	1888562243	RNLCQKKJVRWXSS-UHFFFAOYSA-N	238.334	-0.239	50	10	BBGE	
C[C@@H]1C[C@@H](OC[C@@H](C)C(=O)NN)CO1	1888720934	HPPBNXOJKHXLIU-BWZBUEFSSA-N	202.254	-0.194	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H](B(O)O)C1	1891517971	VLMMMOXAJKRKNF-QYNIQEEDSA-N	217.461	-0.311	50	10	BBGE	
O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1C[C@@H]1Cl	1893453888	RMPNGMAMXPNIHN-CWKFCGSDSA-N	219.668	-0.120	50	10	BBGE	
CO[C@@H]1CC(CN(C)C(=O)NN)C[C@H]1OC	1895312625	KXHCVUXUZKUJQM-RKDXNWHRSA-N	231.296	-0.059	50	10	BBGE	
C=CC[C@H](O)[C@@H]1CCN1[C@H](CC)C(=O)NN	1899745367	UCLBUUFDBNJZFO-UTLUCORTSA-N	227.308	-0.234	50	10	BBGE	
NNC(=O)CCCCCCN1CCNC1=O	1900662273	QDLACMKGRQVFPS-UHFFFAOYSA-N	228.296	-0.048	50	10	BBGE	
O=C(C#CB(O)O)N1CC[C@@H](SC(F)F)C1	1901596149	HFUZLEWKKLQNOL-ZCFIWIBFSA-N	249.047	-0.442	50	10	BBGE	
CO[C@@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	1903005451	HESQZLVKCNIOFH-HTQZYQBOSA-N	226.016	-0.900	50	10	BBGE	
NCCC(CCN)NC(=O)[C@@H]1C[C@@H]1Cl	1905124379	LQDFABRGHPUOOP-SFYZADRCSA-N	219.716	-0.204	50	10	BBGE	
C[C@H](CN=S1(=O)CCC1)C(=O)NN	1913861762	JRJNOFYORKZRCU-ZCFIWIBFSA-N	205.283	-0.516	50	10	BBGE	
C[C@H](CCO)N(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	1916501101	VACHBNOJQIXUSP-UTLUCORTSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](CCO)N(C)CCCCC(=O)NN	1916511810	XPLUQPLCVJGVCE-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CN[C@@H]1COC[C@@H]1C(=O)N1CC=C(C#N)CC1	1917052037	HVAQMTREWCDXIM-WDEREUQCSA-N	235.287	-0.097	50	10	BBGE	
C[C@@H](CC(=O)O)CC(=O)NNCCO	1929835223	OTXVWXQBSWWECW-ZCFIWIBFSA-N	204.226	-0.900	50	10	BBGE	
C[C@H]1C[C@@H](O)CN1CC1(C(=O)NN)CC1	1931259605	VMKYPUWNIKPOIH-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCC(=O)N2)CC1	1941671091	IVTDBHLKSUYABO-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
COCC[C@H](C)Oc1cnc(C)c(B(O)O)c1	1944011970	WLTBYPKBFARKGP-QMMMGPOBSA-N	239.080	-0.126	50	10	BBGE	
C[C@]1(O)CON(Cc2ccoc2C(=O)NN)C1	1944780018	SZUMCALTJGVZMF-SNVBAGLBSA-N	241.247	-0.619	50	10	BBGE	
COCC1(C(=O)N2CC[C@@H](B(O)O)C2)CC1	1951321078	YAJDBDRBTUSOMB-MRVPVSSYSA-N	227.069	-0.512	50	10	BBGE	
C[C@H](O)[C@H](N)C(=O)NCC(Cl)Cl	1953764325	DSECDQVZGFFKHA-UCORVYFPSA-N	215.080	-0.386	50	10	BBGE	
CC1(C)CSCCN1CC(=O)NN	1954018138	PUMQAYXQULWTSA-UHFFFAOYSA-N	203.311	-0.196	50	10	BBGE	
O=C(CCn1cnnn1)N[C@H]1C[C@@H]1CCl	1957830558	ALERFYZEPMKYSK-RQJHMYQMSA-N	229.671	-0.193	50	10	BBGE	
O=C(CCn1cnnn1)N[C@@H]1C[C@H]1CCl	1957833590	ALERFYZEPMKYSK-NKWVEPMBSA-N	229.671	-0.193	50	10	BBGE	
ClCc1nnnn1[C@@H]1CO[C@H]2COC[C@@H]12	1958079313	KJCSWZRRFNUMSD-XVMARJQXSA-N	230.655	-0.002	50	10	BBGE	
CCC[C@H](N=[S@@](C)(=O)N(C)C)C(=O)NN	1960619513	ZJWVFHWBKHJCAT-NZFNHWASSA-N	236.341	-0.281	50	10	BBGE	
C=C1C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1	1973853136	CYYFGPPFGFWZCK-SNVBAGLBSA-N	231.060	-0.328	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2[C@@H](O)C[C@H]21	1975089572	WQCOKLQTUWZIIB-XAVMHZPKSA-N	213.281	-0.790	50	10	BBGE	
COC1CC2(C1)CN([C@H](C)CC(=O)NN)C2	1977521528	BXVYCJWLGUXDEX-MRVPVSSYSA-N	227.308	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCOC2)CC1	1980794952	FNNRQAFWNVQLEC-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
CC[C@@H](O)[C@H]1CCCCN1C(=O)C(=O)NN	1980856843	WEZSMUOUSXGZPO-HTQZYQBOSA-N	229.280	-0.872	50	10	BBGE	
CN(CCOCC(=O)NN)c1cccnc1	1980918083	WFQJGWUMUFIKIP-UHFFFAOYSA-N	224.264	-0.476	50	10	BBGE	
CN(C)NC(=O)N[C@@H](C(=O)O)[C@@H]1CCCO1	1981394485	YPEXGMGARKMWPV-NKWVEPMBSA-N	231.252	-0.606	50	10	BBGE	
OB(O)c1cncnc1OCc1cccs1	1981422976	WVAYIWRPYAOGCA-UHFFFAOYSA-N	236.061	-0.203	50	10	BBGE	
C[C@H]1C[C@H](N(C)c2nc(B(O)O)cs2)CO1	1981472106	NSFULWSOIRFZED-BQBZGAKWSA-N	242.109	-0.564	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1CCN(CCO)C(=O)C1	1982340681	OXHGLRZDZUPBTL-MRVPVSSYSA-N	248.710	-0.333	50	10	BBGE	
CN(C)CCOCc1nc(C(=O)NN)co1	1982819225	PCNAMEMXEOBGBW-UHFFFAOYSA-N	228.252	-0.644	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@H]1F	1984338826	YIHFCGYMSNQTTH-HLTSFMKQSA-N	233.287	-0.186	50	10	BBGE	
O=C(O)C1=NO[C@H](C(=O)NC[C@H]2C[C@@H]2Cl)C1	1991437815	IFHSBSVLGGRWIX-ZDLURKLDSA-N	246.650	-0.041	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C[C@H]2[C@H]1CO	1992537937	VWHLFMFAMXENLE-RXKWGBCNSA-N	227.308	-0.687	50	10	BBGE	
O=C(CC(F)F)Nc1ccccc1B(O)O	1992783181	ULLOTLRUFVMKPV-UHFFFAOYSA-N	228.991	-0.040	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H](O)C1(C)C	1993463568	GNKWPKWQQRDMSK-DTWKUNHWSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H](O)C12CCC2	1993528585	LUOSDRPKODRUCP-IWSPIJDZSA-N	225.292	-0.788	50	10	BBGE	
NNC(=O)C(=O)N[C@H](C(F)F)C1CCCC1	1994270277	WLQSQTTWOCYWRE-LURJTMIESA-N	235.234	-0.084	50	10	BBGE	
Cc1ccnn(CCCCC(=O)NN)c1=O	1994699070	VCIPJEXKHLXXMV-UHFFFAOYSA-N	224.264	-0.288	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CC[C@H]3C[C@H]32)nc1	1995201681	YJLNJDREQBSHSP-FXBDTBDDSA-N	219.049	-0.061	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCCNC1	2003353156	GMQLWPOICJATFH-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H]([C@@H]2CCOC2)C1	2004396112	JFNDMJNRIVUTKC-OPRDCNLKSA-N	243.307	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@@H](c2nccn2C)C1	2004406118	DVCDCJIMPMOKJW-DTWKUNHWSA-N	237.307	-0.412	50	10	BBGE	
C[C@H]1CCCN(c2ncc(B(O)O)cn2)CC1	2004912159	PKLIISDSKXDHDZ-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]2C(F)(F)F)nc1	2004915875	FBIOATNWMNOZHK-ZETCQYMHSA-N	245.997	-0.098	50	10	BBGE	
CC[C@@H](O[C@H]1C[C@@H](n2cncn2)C1)C(=O)NN	2012111968	AXXRQLUIAXFPSV-HRDYMLBCSA-N	239.279	-0.233	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]1CNC(=O)OC	2014046448	UQVURJXNNAALEW-HTQZYQBOSA-N	244.295	-0.815	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CO)C12CC2	2016081533	VTOURFWUNGCQRZ-ZJUUUORDSA-N	241.335	-0.152	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COCC[C@@H]1C	2019209815	KTNAVSKZKKWRQR-WCBMZHEXSA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)nc1	2026821303	RDBMFULRISPKIV-KNDBQHFLSA-N	231.060	-0.205	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2040233074	UXBNKQFQQIYDRD-DJLDLDEBSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccc(B(O)O)cc1CN1CCO[C@H]2C[C@H]21	2051853170	FUELUKOATGVOTL-OLZOCXBDSA-N	247.103	-0.352	50	10	BBGE	
Cc1nc(N(C)CC2CN(C)C2)ccc1B(O)O	2052626078	ANCHKYXTFSRQAT-UHFFFAOYSA-N	249.123	-0.932	50	10	BBGE	
COc1nc(N2CC[C@H]3CC[C@H]32)ncc1B(O)O	2052628346	ZCRHJRNHIHJQMI-VXNVDRBHSA-N	249.079	-0.846	50	10	BBGE	
CCOc1cc(B(O)O)c([N+](=O)[O-])cc1C=O	2060146430	QNZPAIKSCDABAF-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
COCc1nccn1Cc1cccc(B(O)O)c1	2062001798	CLYKTNCRMMDCBX-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2068328110	YCXDTUPRXLELIG-AAQQEJRNSA-N	248.066	-0.255	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2[C@H]3CC[C@H]32)ncc1B(O)O	2069481156	QGEMFPJUWXIUBK-QMSLJYSESA-N	247.063	-0.941	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccn(C2CCC2)n1	2077437726	BHLBOBRHCAJLRR-UHFFFAOYSA-N	247.063	-0.647	50	10	BBGE	
CN1CC[C@H](COCc2ccccc2B(O)O)C1	2080333395	SYUXVRZFJSZFIQ-NSHDSACASA-N	249.119	-0.165	50	10	BBGE	
CN(C)C[C@@H](CCl)N=c1[nH]ncn1C	2209807977	RRLFHXUZXYIVLI-SSDOTTSWSA-N	217.704	-0.182	50	10	BBGE	
CN(C)C1CN(Cc2ccc(B(O)O)s2)C1	2211081230	VCGPZLYVVVABBR-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
COC[C@@]12CCC[C@H]1CN(CC(=O)NN)C2	2212539164	BDLLAXSFOHLONY-ONGXEEELSA-N	227.308	-0.275	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@@H]1CC[C@H]1C(=O)NN	2215773035	ADVXSELOECHWJH-AEJSXWLSSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2215773451	SPXWSIVSQZXLBQ-GARJFASQSA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN(CCO)CC1CC1	2215776041	KLDGEQJBYIMYMO-WDEREUQCSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1COCCn1ccnc1	2215776668	OFNUOAUIAWAAEF-VHSXEESVSA-N	238.291	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CCC(CO)CC1	2215776978	PVXTWVSNQVUFKD-QWRGUYRKSA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3C[C@]3(F)C2)nc1	2216599120	YQOVHTRAQOBOKL-XCBNKYQSSA-N	237.043	-0.905	50	10	BBGE	
C[C@@]1(CO)CCCN1c1ccc(B(O)O)cn1	2217171858	GARFYWMKHPAMTD-NSHDSACASA-N	236.080	-0.887	50	10	BBGE	
CN1CC[C@@H](Nc2nccc(B(O)O)c2F)C1	2217180266	RRXIOUOELDFAHO-SSDOTTSWSA-N	239.059	-0.984	50	10	BBGE	
Cc1ccc(C)n1Nc1ncc(B(O)O)cn1	2217180621	VHYVTJHLRHYUBD-UHFFFAOYSA-N	232.052	-0.550	50	10	BBGE	
C#CC(C)(C)COc1nccc(B(O)O)c1F	2217195161	GJDAGEKBDFMQQZ-UHFFFAOYSA-N	237.039	-0.061	50	10	BBGE	
CO[C@H](CNc1ccc(B(O)O)cn1)C1CC1	2217199188	AVZXBZNDYRGQCD-SNVBAGLBSA-N	236.080	-0.402	50	10	BBGE	
CC1(C)CN[C@@H]1CNc1cc(B(O)O)ccn1	2217201541	YPQMTHBXIYQIHM-SECBINFHSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C[C@]1(C)CN	2223638417	KSCFURMTPFZGRR-SKDRFNHKSA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccc(OCC2CC3(CCN3)C2)nc1	2223661106	OOXNRFGPIZRLFF-UHFFFAOYSA-N	248.091	-0.718	50	10	BBGE	
C[C@H]1CCC[C@@H](CN=c2ncc(B(O)O)c[nH]2)C1	2223666826	OQKHRAVRYOLNKF-VHSXEESVSA-N	249.123	-0.184	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)C1CCNCC1	2223670313	WDWVSNIUIOSIJN-VIFPVBQESA-N	249.123	-0.439	50	10	BBGE	
N[C@H]1CN(c2cc(B(O)O)ccn2)CC12CCC2	2223671009	GMEBSQJPRHPCFF-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
CN(C)CCN(CCN)C[C@@H](Cl)C#N	2241373443	QJUKUEDGODEBEX-VIFPVBQESA-N	218.732	-0.060	50	10	BBGE	
CCON(CC)C(=O)C1(B(O)O)CC1	2241474169	XUTKWMMTHJJSBW-UHFFFAOYSA-N	201.031	-0.207	50	10	BBGE	
O=S(=O)(NC/C=C/CCl)c1nc[nH]n1	2242017718	VWBNEVOICRASJD-OWOJBTEDSA-N	236.684	-0.122	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@H]1CF	2242173233	ABLLSCIGEBZLMN-WDSKDSINSA-N	203.217	-0.769	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2OC[C@@H](CO)O[C@@H]2C1	2242798736	NUJFGRZJUHGUAV-QCLAVDOMSA-N	246.694	-0.422	50	10	BBGE	
CCn1ncc(NC(=O)C#CB(O)O)c1Cl	2243349113	GGTAUTMMGOIPHF-UHFFFAOYSA-N	241.443	-0.490	50	10	BBGE	
O=C(Nc1cnsc1)c1ccoc1B(O)O	2243356435	HSMAZZXGFAZVOM-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
O=C(C#CB(O)O)N1C[C@H]2CC=CC[C@H]2C1	2243362639	ULPVYQZCWWGSPI-AOOOYVTPSA-N	219.049	-0.574	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CC1)CN(C)C	2243366125	XOVAHMRLZQCBFI-QMMMGPOBSA-N	228.101	-0.693	50	10	BBGE	
C[C@H]1OCC[C@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243381300	FCFGJEFNWRDOLM-LURQLKTLSA-N	227.069	-0.467	50	10	BBGE	
O=C(c1sncc1B(O)O)N1CC2(CC2)C1	2243386163	VVMMVCWUWIHGSY-UHFFFAOYSA-N	238.077	-0.941	50	10	BBGE	
CC1(CNC(=O)C#CB(O)O)CC(F)(F)C1	2243400649	FPWPNQHUZBVUTA-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
CN(C[C@@H]1CCN1)C(=O)C1(B(O)O)CCC1	2243409799	PEZQNPUZAALSSF-QMMMGPOBSA-N	226.085	-0.796	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)O	2243426451	IIVLXDAWILBICV-BIIVOSGPSA-N	229.085	-0.485	50	10	BBGE	
CC#CC(=O)Nc1ccc(Cl)c(B(O)O)c1	2243685202	OZYZPAIFZFPJGU-UHFFFAOYSA-N	237.451	-0.018	50	10	BBGE	
C=CC[C@@H](C)NC(=O)c1cc(B(O)O)co1	2244221760	PGLGBZLPGQDDDH-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
CCOCCCC(=O)NCCC#CB(O)O	2244548220	MDZLXVUZLCBNAH-UHFFFAOYSA-N	227.069	-0.675	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC[C@@H]1C	2247738224	ONDAWRWJTSCKAW-ZETCQYMHSA-N	237.064	-0.108	50	10	BBGE	
O=C(NCC1CCCC1)c1ccoc1B(O)O	2247741456	ZYHGAEYEZUBDLT-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
C[C@H]1CCCCN1C(=O)c1ccoc1B(O)O	2247748106	XVZSPRXLSMNJCC-QMMMGPOBSA-N	237.064	-0.026	50	10	BBGE	
Cc1nnc(NC(=O)C2(B(O)O)CC2)nc1C	2247753424	GWFGMDLHBXTBIQ-UHFFFAOYSA-N	236.040	-0.566	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)NC1(C)CCC1	2247764524	SOWXXNOLXLWXAR-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1n[nH]cc1B(O)O	2247781608	MPXAKOSGQILSNA-POYBYMJQSA-N	237.068	-0.992	50	10	BBGE	
O=C(NCCOC1CCC1)[C@H]1C[C@@H](B(O)O)C1	2247787270	MTXMLVSBLDTIEI-DTORHVGOSA-N	241.096	-0.075	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC[C@@H]1CF	2247796780	CSTCXZYHINZFFT-HACHORDNSA-N	245.059	-0.564	50	10	BBGE	
NCC1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCCC1	2247798408	TVVHYYYQFZPBJO-RKDXNWHRSA-N	240.112	-0.515	50	10	BBGE	
O=C(NC[C@@]1(F)CCOC1)[C@H]1C[C@H](B(O)O)C1	2247799640	GHKREPHUJXMHCS-NRPADANISA-N	245.059	-0.516	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)C(C)(C)CN1	2247809224	YIQCJVYVKRZIIH-HRDYMLBCSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)C[C@@H]1F	2247848919	SBPIYDDMXNJZMA-XPUUQOCRSA-N	240.043	-0.876	50	10	BBGE	
O=C(NCc1ccc(F)cn1)C1(B(O)O)CC1	2247852984	DJAPTYYNESBSEU-UHFFFAOYSA-N	238.027	-0.156	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1F	2247870132	FKHDHBOYXZQUST-MUWHJKNJSA-N	237.039	-0.356	50	10	BBGE	
C[C@@H]1CNCC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247871572	DIAQIZLAENFAIJ-IUCAKERBSA-N	240.112	-0.502	50	10	BBGE	
CN(C(=O)c1ccncc1B(O)O)C(C)(C)C	2247872214	OSYXIHOVQXLCJW-UHFFFAOYSA-N	236.080	-0.368	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CC(C)C2)c1	2247875342	WFUKCDSJILQFGM-UHFFFAOYSA-N	233.076	-0.233	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H](O)C1)C1(B(O)O)CC1	2247879857	YKZDFVKNALOOLF-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2247886655	DXXBYJQIATWQKS-ZOZBQHSOSA-N	241.096	-0.533	50	10	BBGE	
Cc1noc(CNC(=O)[C@H]2C[C@H](B(O)O)C2)n1	2247887410	NVIYMJIYALKMQH-LJGSYFOKSA-N	239.040	-0.753	50	10	BBGE	
C=CCC[C@@H](CO)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247894081	CBRNIGUPGDBAAK-AEJSXWLSSA-N	241.096	-0.317	50	10	BBGE	
O=C(N[C@@H]1CNCC2(CC2)C1)[C@@H]1C[C@H]1B(O)O	2247900403	WMMFWEWTLSWWTR-DJLDLDEBSA-N	238.096	-0.892	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C1(C(=O)O)CC1	2248575154	YDSOZDZDEXMMHT-KNVOCYPGSA-N	241.052	-0.685	50	10	BBGE	
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248585367	KEGDBFBGTWJRIY-GJMOJQLCSA-N	243.068	-0.535	50	10	BBGE	
C[C@](NC(=O)C1(B(O)O)CC1)(C(=O)O)C1CC1	2248585682	PEGBUFXEJNBZHC-SECBINFHSA-N	241.052	-0.637	50	10	BBGE	
CCC[C@@H](CC(=O)O)NC(=O)C1(B(O)O)CC1	2248588335	BLLFLDZMNIBAIA-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1C(=O)O)C1CC(B(O)O)C1	2248590009	XWXCTYYYBVDDFB-WMEPKMGJSA-N	241.052	-0.924	50	10	BBGE	
Cc1cnc(NC[C@@H]2CC[C@@H]2N)cc1B(O)O	2250300060	RTPOXEJUKGVSST-WPRPVWTQSA-N	235.096	-0.781	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)[C@H]1C[C@H](B(O)O)C1	2253141524	UKLMQUOFHJIKDW-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H]1C[C@@H]1NC(=O)c1ccncc1B(O)O	2255454374	OTPFEHGIFKATCG-ONGXEEELSA-N	248.091	-0.464	50	10	BBGE	
C#C[C@@H](C1CC1)N(C)C(=O)c1ccc(B(O)O)o1	2255474779	UPQJDHXHKQNEAH-VIFPVBQESA-N	247.059	-0.557	50	10	BBGE	
CC1=C(C)CN(C(=O)c2ccc(B(O)O)cn2)C1	2255518227	ZYYCKDGXRIOGLJ-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
NCCc1cccc(NC(=O)[C@@H]2C[C@H]2B(O)O)c1	2255570788	JEGXMYWCPXQQLB-GHMZBOCLSA-N	248.091	-0.011	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC=CCCC1	2255722621	RHMGQPQRDWRNOE-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC2CC1C2	2255905258	AZEDZEAHBGGWKB-UHFFFAOYSA-N	246.075	-0.008	50	10	BBGE	
C=CCCC(=O)NCCc1ccccc1B(O)O	2256639996	GNVFYQHTTTVIEM-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
C[C@H]1CN(C)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298165713	SWXLVSORPWNOCQ-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
O=C(N[C@@H]1CO[C@@H](C2CC2)C1)[C@H]1C[C@H]1B(O)O	2298368921	CARWGDFBGHYLKT-AXTSPUMRSA-N	239.080	-0.467	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1C[C@@H]1C[C@@H]1C(=O)NN	2300040862	BAZJIERLXWMZKT-UXCLJVHYSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCN1CCO[C@@H]2C[C@@H]21	2300369532	KYVWIGCBIQNLDR-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
CC(C)[C@H](O)C(C)(C)CNC(=O)C#CB(O)O	2301979382	VNLOLDDZDGLZDW-JTQLQIEISA-N	241.096	-0.839	50	10	BBGE	
CN1CCO[C@@H](CN2CC[C@@](C)(B(O)O)C2)C1	2303097143	MEVJIZFOGVRLRT-GHMZBOCLSA-N	242.128	-0.744	50	10	BBGE	
CC(=CC(=O)N1CC[C@](C)(B(O)O)C1)C(=O)O	2303114197	JPVVIBISUBYRHM-JTQLQIEISA-N	241.052	-0.517	50	10	BBGE	
OB(O)c1cc(N2C[C@H]3C[C@@H](C2)C3)ncc1F	2303834373	DYVVGYWMKUVBER-OCAPTIKFSA-N	236.055	-0.253	50	10	BBGE	
CN1CC[C@H](Nc2cc(B(O)O)c(F)cn2)C1	2303835191	SCWFPRBZGAHVDG-ZETCQYMHSA-N	239.059	-0.984	50	10	BBGE	
CCOCCCOc1cc(B(O)O)c(F)cn1	2303851758	GASFTIVJYBKFQY-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@@H](Nc1ncccc1B(O)O)C2	2312612304	OOFYXYBVDRHQFZ-UMNHJUIQSA-N	248.091	-0.259	50	10	BBGE	
CN(c1ccc(C=O)c(B(O)O)c1)[C@H]1C[C@H](O)C1	2317312411	GSGYDIOBFVSEJF-XYPYZODXSA-N	249.075	-0.862	50	10	BBGE	
C[C@@]1(CO)CCN1c1ccc(C=O)c(B(O)O)c1	2317350672	WSCQHAZMUCTZGC-LBPRGKRZSA-N	249.075	-0.860	50	10	BBGE	
OB(O)c1cc(N[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)ncc1F	2320786768	BIBPIFHWJCWKPO-JLHYYRGJSA-N	248.066	-0.033	50	10	BBGE	
COC(=O)CN1CCN(C(=O)[C@@H](C)Cl)CC1	37834479	GGNFCQVAAQSBSE-MRVPVSSYSA-N	248.710	-0.069	50	10	BBGE	
Cc1ccccc1CNC(=O)C(=O)NN	48266061	BEHOWCQPDDPELS-UHFFFAOYSA-N	207.233	-0.399	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCN1)c1ccncc1	49826405	SEOJBUPGIOKULD-SECBINFHSA-N	234.259	-0.405	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)C1CC1	82466936	ZCDIOQWSDCKMNT-DTWKUNHWSA-N	213.281	-0.382	50	10	BBGE	
C[C@@H](Cn1ccc([N+](=O)[O-])n1)C(=O)NN	82471664	SKKGNAPMJGILBP-YFKPBYRVSA-N	213.197	-0.583	50	10	BBGE	
CN1CC(=O)N(CCCCl)CC1=O	86933640	DTIQUJYMFSTNMD-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
CC1(C)NC(=O)N(CCCCC(=O)NN)C1=O	110579599	IIMYIYFQNCIANS-UHFFFAOYSA-N	242.279	-0.523	50	10	BBGE	
NNC(=O)c1ccc(Cn2ncccc2=O)cc1	111820793	KMYBFBMKKBNQOH-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
O=S(=O)(CBr)NC1(CO)CC1	126652736	HXXUZZYKBKQZDQ-UHFFFAOYSA-N	244.110	-0.217	50	10	BBGE	
O=C1C[C@@H](NC(=O)C(Cl)Cl)C(=O)N1	169912247	OTZTUOZEXIFESA-UWTATZPHSA-N	225.031	-0.679	50	10	BBGE	
CN1C(=O)[C@@H](C=O)[C@H](Cl)N(C)C1=O	217998647	UJOBPVZMXRSRHQ-CRCLSJGQSA-N	204.613	-0.110	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCO[C@@H](C#N)C1	226178982	WSTUENXWZYMOQR-DTWKUNHWSA-N	226.280	-0.775	50	10	BBGE	
CO[C@H](C)COc1ccccc1B(O)O	228582841	URNBBPUWWVOQIF-MRVPVSSYSA-N	210.038	-0.220	50	10	BBGE	
COC[C@H](Sc1nccnc1N)C(=O)NN	234715798	UDXATYULYCVEGG-YFKPBYRVSA-N	243.292	-0.844	50	10	BBGE	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)C(F)F	236138371	AHLVEHIPXQKTIB-IUYQGCFVSA-N	247.650	-0.228	50	10	BBGE	
NCCN1CCN(C(=O)NCCCCl)CC1	244447541	YZUVHTNHCHJSMK-UHFFFAOYSA-N	248.758	-0.099	50	10	BBGE	
O=[N+]([O-])c1cc(Br)c(B(O)O)cn1	307306723	UFZYELCWDOXLJG-UHFFFAOYSA-N	246.813	-0.568	50	10	BBGE	
CCN(CC)[C@H]1[C@@H]2CN([C@@H](C)C(=O)NN)C[C@@H]21	384240303	HYNGXPCJTQLENJ-UKKRHICBSA-N	240.351	-0.363	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384768270	OWEMOVSXWGLWSM-SVDPJWKOSA-N	240.351	-0.363	50	10	BBGE	
C[C@@H]1CN([C@H](C)[C@@H](C)C(=O)NN)C[C@H]1O	388611140	MEAPJKKLAQZIHT-FNCVBFRFSA-N	215.297	-0.687	50	10	BBGE	
CO[C@@H]1[C@H]2C[C@@H]3CN(CCC(=O)NN)[C@@H]1[C@H]3C2	394367391	UBRJKKMSAJAHPJ-ORZSEXNPSA-N	239.319	-0.278	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)n1cc(C(N)=O)cn1	395581167	WPNDBEZFKHVAMS-ZETCQYMHSA-N	239.279	-0.441	50	10	BBGE	
Nc1ccc2sc(CO)cc2c1B(O)O	396246134	NYBHYGOEVKQCSB-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c2scc(O)c12	396386193	QUXDDNVVKCKTJE-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
O=C(O)c1c(B(O)O)cc2ccsc2c1O	396391434	YYTLLOHEQKPLKY-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1ccncn1	396661159	XWYKITFGSKGROC-SNVBAGLBSA-N	237.307	-0.077	50	10	BBGE	
CC[S@@](=O)Nc1ccc(F)c(B(O)O)c1	404808127	BNNBWGHGDWWFNF-OAHLLOKOSA-N	231.057	-0.399	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(B(O)O)cc1	404994925	FWYJJOVSHQXEHC-OAHLLOKOSA-N	227.094	-0.150	50	10	BBGE	
COC[C@@](C)(CO)N(C)S(=O)(=O)CCl	689208452	XQMJUJLFKNNAOV-SSDOTTSWSA-N	245.728	-0.158	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CC(C)(CO)CO	689875586	OBASOLWIHYGAAI-SECBINFHSA-N	247.339	-0.932	50	10	BBGE	
CCN([C@@H](COC)C(=O)NN)C(C)(C)CO	690902078	HFVJVPREGPXKIG-QMMMGPOBSA-N	233.312	-0.916	50	10	BBGE	
CC(C)N(C[C@H](C)C(=O)NN)C[C@@H](C)O	692172593	HRFHSVYOELFXNR-DTWKUNHWSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](Cn1nnnc1CCl)S(C)(=O)=O	697561315	AQEJIUXJBNSMBZ-RXMQYKEDSA-N	238.700	-0.155	50	10	BBGE	
O=C(/C=C/c1ccc(O)cc1)NCB(O)O	702031720	BNPBAYIAIJWXRZ-ZZXKWVIFSA-N	221.021	-0.466	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](N2CCC2)C1	702300286	JWMDYQUOXHRAJZ-BDAKNGLRSA-N	212.297	-0.855	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@@]2(C)C1	702396879	BIZLEZWPTRFQCC-SCVCMEIPSA-N	240.351	-0.362	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](C(F)F)C1	707183808	RLXJOXVWIDTJMJ-NKWVEPMBSA-N	237.250	-0.422	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@@H]1CCC[C@H]1O	708096168	XOXHSEIXHWHOAT-IVZWLZJFSA-N	229.324	-0.010	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H](CF)C1	711429480	GQYJAZAHJYHXDT-LURJTMIESA-N	203.217	-0.816	50	10	BBGE	
C[C@@H](CCl)C(=O)NCC1(CO)COC1	717597617	GGYJNVZMURSTMA-ZETCQYMHSA-N	221.684	-0.014	50	10	BBGE	
O=S(=O)(CCl)N[C@@]12COC[C@@H]1C2	718111190	KUWLBDPARMCBRZ-WDSKDSINSA-N	211.670	-0.109	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](CN)C[C@@H](O)C1	722378093	CRMZBMWXTCNIRR-BIIVOSGPSA-N	220.700	-0.218	50	10	BBGE	
C[C@H]1N=CC(CNS(=O)(=O)CCl)=N1	725678746	IDWIVMZOUSGXNS-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@@H](O)[C@H](F)C1	725709570	RVHTZUSZWFRLJS-RNFRBKRXSA-N	245.703	-0.040	50	10	BBGE	
Cn1ncnc1C=NNC(=O)[C@@]1(C)CCCO1	842536589	UIUKEKNRJLUCQB-SNVBAGLBSA-N	237.263	-0.166	50	10	BBGE	
CNC(=S)N(C)NC(=O)COCC(F)F	861961179	SLCVCVFSOSTMTI-UHFFFAOYSA-N	241.263	-0.265	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@H](O)C1CCC1	1138284075	AYNOPGJKCBIACZ-ZETCQYMHSA-N	230.264	-0.934	50	10	BBGE	
O=C1C[C@@H](NS(=O)(=O)CCl)CCN1	1260936166	UVEUMVHPGQUWDE-YFKPBYRVSA-N	226.685	-0.619	50	10	BBGE	
O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC23CC3)N1	1329079217	VNUNFORNSDXSIU-RQJHMYQMSA-N	237.259	-0.788	50	10	BBGE	
O=C(NNc1ccncn1)C1(O)CCC1	1468214075	BGQXTYQPWJUJMA-UHFFFAOYSA-N	208.221	-0.165	50	10	BBGE	
O=C1C[C@H](CCN2CCOCC2)C(=O)O1	1535781453	NMWIZQNKHUYOCX-QMMMGPOBSA-N	213.233	-0.202	50	10	BBGE	
O=C(CCCCCO)NNC(=O)c1cc[nH]n1	1645306304	LQROULLSYWDJKB-UHFFFAOYSA-N	240.263	-0.277	50	10	BBGE	
C#C[C@@H](C)NC(=O)NNC(=O)c1cccnn1	1686916688	RDCJZZUAEMHJTB-SSDOTTSWSA-N	233.231	-0.558	50	10	BBGE	
Cn1[nH]nnc1=NC[C@H]1C[C@H]1Br	1881348510	GFNDMORCYIVJID-RFZPGFLSSA-N	232.085	-0.173	50	10	BBGE	
O=C(F)NCC[C@@H]1CNCCS1(=O)=O	1887185824	DUYOZYFAFWLZIG-ZCFIWIBFSA-N	224.257	-0.558	50	10	BBGE	
C[C@@H](COCCCN(C)C)C(=O)NN	1888720755	FVQFQGKLNNIUPK-QMMMGPOBSA-N	203.286	-0.419	50	10	BBGE	
C[C@@H](OC[C@H]1CSCCO1)C(=O)NN	1891537191	HSDXCCYBJOCQJT-RQJHMYQMSA-N	220.294	-0.487	50	10	BBGE	
COC(=O)c1nn(C)cc1[C@@H](N)[C@@H](O)C#N	1894492784	RRJCGQGAPIONGN-NKWVEPMBSA-N	224.220	-0.909	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1Oc1ncc(B(O)O)cn1	1901081008	GHGFSHWNIWXAQV-RNFRBKRXSA-N	222.053	-0.420	50	10	BBGE	
CN(NC(=O)[C@H]1CCN1)S(=O)(=O)C1CCC1	1901343028	ULSMXAPMUBIZHO-MRVPVSSYSA-N	247.320	-0.806	50	10	BBGE	
COC1(C(F)F)CC(C(=O)NCB(O)O)C1	1902687597	PXTHJDNWGMFAJC-UHFFFAOYSA-N	237.011	-0.825	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C[C@@H]1C)C(=O)NN	1902716326	QRUBBRKPNHJWTH-IQJOONFLSA-N	229.324	-0.152	50	10	BBGE	
CN(C[C@@H]1O[C@H]2CC[C@H]1C2)C(=O)C(=O)NN	1905126324	KTONKIYJVUTFIU-FXQIFTODSA-N	227.264	-0.998	50	10	BBGE	
C[C@@H](CN1[C@@H](C)CCS1(=O)=O)C(=O)NN	1912275401	PXQXQMWYLGRNRI-BQBZGAKWSA-N	235.309	-0.964	50	10	BBGE	
CC(C)[S@@](=O)Nc1ncccc1B(O)O	1913617511	KZHCDLDQAPCYSF-OAHLLOKOSA-N	228.082	-0.755	50	10	BBGE	
CN(CCOC1CC1)C[C@H]1C[C@H]1C(=O)NN	1914550304	GQBXXVUZHSHLJZ-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
ClCc1nncn1CCn1cnnn1	1928854827	OKLBPRGKUICYGX-UHFFFAOYSA-N	213.632	-0.296	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@](C)(N(C)C)C1	1930373829	OKQOKKLNZPUYKG-PSASIEDQSA-N	214.313	-0.609	50	10	BBGE	
NNC(=O)CCN1CCOC(F)(F)C1	1932127907	WIQORULRIPRQFP-UHFFFAOYSA-N	209.196	-0.709	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1COC[C@H]1O	1933389927	RACSPXMNLCVIEL-NTSWFWBYSA-N	229.685	-0.891	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H](CO)C1CC1	1937840445	BROQYAQGBJJIMJ-IWSPIJDZSA-N	225.244	-0.326	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@]2(CCOC2)C1	1940892421	FDZYUSYXTDXQID-SECBINFHSA-N	249.261	-0.276	50	10	BBGE	
CCN(C)CCOc1c(F)cccc1B(O)O	1943946871	ZVKOUYNFFPRLHV-UHFFFAOYSA-N	241.071	-0.164	50	10	BBGE	
O=C(Cc1cn2ccccc2n1)NNCCO	1944212233	UTUDNWWWGIEEOY-UHFFFAOYSA-N	234.259	-0.510	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCN(C)CCC1	1947182921	HNWVXESXJZLKLE-JTQLQIEISA-N	244.339	-0.981	50	10	BBGE	
O=C(CCl)N1CC[C@H](N2CC(O)C2)C1	1955294621	MSKPODSIQSSQNE-ZETCQYMHSA-N	218.684	-0.497	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H](C)CS(N)(=O)=O	1955567983	GFINOHJDNDKKHG-NTSWFWBYSA-N	242.728	-0.203	50	10	BBGE	
CC[C@H](O)CN(C)C[C@H](C)C(=O)NN	1955925941	DROIKYSKZXPJMH-YUMQZZPRSA-N	203.286	-0.685	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCCCC(=O)NN	1956459496	UPMDWSOQEJMXBA-AWEZNQCLSA-N	222.314	-0.669	50	10	BBGE	
CO[C@@H]1CN(C[C@@H](O)CCl)[C@H]2COC[C@@H]12	1958122893	QNPNPPQZEKHJOB-QCLAVDOMSA-N	235.711	-0.068	50	10	BBGE	
O=C(NC1(CO)CCC1)c1cccc(B(O)O)c1	1963751811	CRRPETOWKOXTCO-UHFFFAOYSA-N	249.075	-0.989	50	10	BBGE	
NNC(=O)C(=O)NCC1CC(CC2CC2)C1	1980553329	BUZKWQLLXBYBEE-UHFFFAOYSA-N	225.292	-0.081	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CCC[C@H]2C[C@@H]12	1985698269	AYXHNVSRJHHRAY-CIUDSAMLSA-N	225.292	-0.081	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1ccoc1C(=O)NN	1985738617	AVRRUKRKFYNMSA-SVRRBLITSA-N	225.248	-0.552	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	1986732676	UDDXMUCJSIVGOU-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@H](C)C#N	1990775551	XDUVEMKSDNBTRP-MRVPVSSYSA-N	226.280	-0.365	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@]2(CCO2)C1	1990776544	MDWQMGUHGATJHC-JTQLQIEISA-N	227.264	-0.982	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](c2nncs2)C1	1991149925	KSHNETSGHWQBRL-RQJHMYQMSA-N	241.320	-0.294	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NCC=CB(O)O)[C@@H](C)O1	1991325888	APUWSKDNWARGEP-HLTSFMKQSA-N	227.069	-0.516	50	10	BBGE	
O=C(NCC=CB(O)O)[C@H]1C[C@H]2CC[C@H]1O2	1991337473	NISHTVIBBRFYCV-HRDYMLBCSA-N	225.053	-0.762	50	10	BBGE	
NCCN1CCN(C(=O)C=CC(=O)Cl)CC1	1991651424	STASTCPBCOSVAD-UHFFFAOYSA-N	245.710	-0.589	50	10	BBGE	
NC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)Cl)CCO1	1991702078	PHVWMOBVTPUTQM-FLPBZWPXSA-N	246.694	-0.070	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@@H]2COC[C@H]21	1991713042	OBSRUQFWYFNZIN-XLNBVVSQSA-N	245.662	-0.066	50	10	BBGE	
C=C(CN1CCOCCC12COC2)B(O)O	1992167111	DXPTZJKWLYCZIT-UHFFFAOYSA-N	227.069	-0.954	50	10	BBGE	
C=CCONC(=O)c1ccccc1B(O)O	1992837283	WVYQYRDYVRGRES-UHFFFAOYSA-N	221.021	-0.786	50	10	BBGE	
CC(C)[C@H](SCCOC1CNC1)C(=O)NN	1993410635	IYMUBZBIWVEREQ-VIFPVBQESA-N	247.364	-0.278	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	1995617176	AHXSHKYCANVNHZ-LNRQSERFSA-N	226.276	-0.336	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CN2CC[C@H]1C2	1996733786	OBDZEHDCIPFTBO-UWVGGRQHSA-N	238.335	-0.608	50	10	BBGE	
CC[C@@H]1CCN(c2ncc(B(O)O)cn2)[C@@H]1C	2004916119	IBALTBFVINLSKZ-RKDXNWHRSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC[C@H](C)[C@@H]2C)n1	2005014466	LYGQANKNSUEPSX-YUMQZZPRSA-N	235.096	-0.300	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@@H]2CC[C@H]2C1=O	2008871096	RTCYDSVZXNRBJM-NKWVEPMBSA-N	247.245	-0.130	50	10	BBGE	
CO[C@@H]1C[C@@H]1COc1ccc(B(O)O)c(F)c1	2014605659	RZOGVIRNKWWOKH-RDDDGLTNSA-N	240.039	-0.081	50	10	BBGE	
CC(=O)NNC(=O)CN(CC(C)C)C1COC1	2019178607	HNMJWFKJLPYZNZ-UHFFFAOYSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]1CN(C)C	2019209893	LHMOJFRSXZIDMN-JTQLQIEISA-N	242.323	-0.820	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccc(O)c1O	2020067399	HFBYQMIKQKSCDT-UHFFFAOYSA-N	237.020	-0.604	50	10	BBGE	
O=C(NCC#CB(O)O)N[C@H]1C[C@H]2CC[C@H]1C2	2021128950	PSCANVYKTPZHPX-GUBZILKMSA-N	236.080	-0.510	50	10	BBGE	
C=C(CN1CC[C@@H](c2cnn(C)c2)C1)B(O)O	2021158377	AZWJHUXLJUNTRR-SNVBAGLBSA-N	235.096	-0.222	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCOC[C@](C)(CO)C1	2022237083	DJVUWRBKNFSMJW-ONGXEEELSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CCCC3=O)(C1)C2	2023844723	AJHPAZLEBCPENE-XYPYZODXSA-N	239.275	-0.852	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H]2C[C@H]1[C@H]2CO	2024085119	AOVVZSCNMCOBJJ-CSMHCCOUSA-N	249.261	-0.686	50	10	BBGE	
Cc1nc(N2CC[C@H]2CC2CC2)ncc1B(O)O	2052555761	FAZUIXGVRQAIJI-JTQLQIEISA-N	247.107	-0.156	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)cc1OC	2060205123	QYEULGVJDZRTMR-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
Cc1cc(OC2CC3(COC3)C2)ncc1B(O)O	2061754015	RADCKXSJQLWGNZ-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
CO[C@@H]1CN(C(=O)F)[C@@H](CN)[C@H]1OC	2209446542	VIRRROBLPSPEAC-RRKCRQDMSA-N	206.217	-0.251	50	10	BBGE	
O=C(CCCl)NC(=O)N=c1nco[nH]1	2210100084	NGSBAACCMXQTBK-UHFFFAOYSA-N	218.600	-0.232	50	10	BBGE	
Cc1cnc(S[C@H](C)[C@@H](C)O)cc1B(O)O	2212600943	GMFOMDUTYXTZEO-HTQZYQBOSA-N	241.121	-0.069	50	10	BBGE	
OB(O)c1cnc(NC[C@@H]2CCCS2)nc1	2212604656	YGMAOBUULOKCQJ-QMMMGPOBSA-N	239.109	-0.536	50	10	BBGE	
C[C@@]1(Oc2cc(B(O)O)ccn2)CCOC1	2212605819	KMXZCALIQZNMEX-SNVBAGLBSA-N	223.037	-0.681	50	10	BBGE	
Cc1cnc(N[C@@H](C)CCO)cc1B(O)O	2212606690	YHWWNTOSXGPAHI-QMMMGPOBSA-N	224.069	-0.747	50	10	BBGE	
C[C@@H](CCN)Oc1nccc(B(O)O)c1F	2212608951	NAMMVRHXZWEADP-LURJTMIESA-N	228.032	-0.983	50	10	BBGE	
CCCOCCNc1cc(B(O)O)ccn1	2212610501	JXMREPUMWBDTMK-UHFFFAOYSA-N	224.069	-0.400	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1ccc(B(O)O)cn1	2212614636	FWDFTAHVXHKEMS-PSASIEDQSA-N	222.053	-0.649	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(C(F)F)C1	2212758440	QGHMQUHOFNYIME-UHFFFAOYSA-N	231.007	-0.591	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC(C)(C)CO	2215776408	MPSJJCAWBSTMMU-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CCC2)[C@@H]1CO	2216493626	JEQUCFAPQGCVNP-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
CCN1CC[C@H]1CNc1cc(B(O)O)ccn1	2217173051	OLCODBDYUSJRAS-JTQLQIEISA-N	235.096	-0.733	50	10	BBGE	
OC[C@H]1CC[C@H](Nc2ccc(B(O)O)cn2)C1	2217176930	BZQIAVIUKYSIRV-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
C[C@@]1(Oc2ncccc2B(O)O)CC[C@H](N)C1	2217181640	SNQWNCOPQCHVSI-GZMMTYOYSA-N	236.080	-0.590	50	10	BBGE	
Cc1cnc(N[C@H](C)C(C)(C)N)cc1B(O)O	2217182331	CFWRTCGLULATAN-MRVPVSSYSA-N	237.112	-0.392	50	10	BBGE	
CCN(CCCO)c1cc(B(O)O)c(C)cn1	2217182488	BFDQCSVYWXPYGY-UHFFFAOYSA-N	238.096	-0.721	50	10	BBGE	
C[C@@H]1C[C@@H]1NCCOc1cc(B(O)O)ccn1	2217191677	DKRIVAPSOSRLNO-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c1	2217196560	SMMLCCNPYSCDKB-KNDBQHFLSA-N	231.060	-0.205	50	10	BBGE	
C[C@@H]1[C@H](Nc2cc(B(O)O)ccn2)CCN1C	2217200120	IAUDXQYMYJZQOE-PSASIEDQSA-N	235.096	-0.734	50	10	BBGE	
Cc1cnc(N2CCCC[C@H]2CN)cc1B(O)O	2223653183	PJXJUDSOCSPGNJ-JTQLQIEISA-N	249.123	-0.613	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CN3CCC2CC3)c1	2223663177	XJUKYCVICBOLCI-NSHDSACASA-N	248.091	-0.766	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)C1(B(O)O)CC1	2241480566	JMIHQUVYTUYSSJ-BYPYZUCNSA-N	204.969	-0.483	50	10	BBGE	
COCCCN1CCC(B(O)O)CC1	2241736728	JZSOQPNVCXCTAU-UHFFFAOYSA-N	201.075	-0.038	50	10	BBGE	
C=CC[C@](C)(NC(=O)C#CB(O)O)C(F)F	2243356765	MOUHZNITHUCJCI-VIFPVBQESA-N	231.007	-0.282	50	10	BBGE	
Cc1cncc(CNC(=O)C#CB(O)O)c1	2243357276	UIRDZPIRWIGDAS-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccsc1B(O)O	2243358339	FQLJCYFRYFHMGG-UHFFFAOYSA-N	249.047	-0.187	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC(CF)C1	2243363326	FBVQNCBSBMVZCQ-UHFFFAOYSA-N	227.000	-0.999	50	10	BBGE	
Cc1ncc(CN(C)C(=O)C#CB(O)O)s1	2243401480	RSCBOJMYMHNUHJ-UHFFFAOYSA-N	238.077	-0.575	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2ccsc2B(O)O)[C@@H]1C	2243409055	AHYMAUXKHVIFBM-UQWHLADISA-N	239.105	-0.188	50	10	BBGE	
CN(CCCCCN)C(=O)C1(B(O)O)CC1	2243410323	ZQHISRBRPJNANW-UHFFFAOYSA-N	228.101	-0.419	50	10	BBGE	
CCCN(CC(=O)O)C(=O)[C@H]1C[C@H]1B(O)O	2243752032	DRRQAHHSYWPRLH-NKWVEPMBSA-N	229.041	-0.828	50	10	BBGE	
O=C=N[C@H]1CCOCCN1S(=O)(=O)C1CC1	2243977814	TYEHJUPYGFIOQY-SECBINFHSA-N	246.288	-0.137	50	10	BBGE	
CCOC(C)(C)C(=O)NCCC#CB(O)O	2244548094	KHYGCCIAJVHQTO-UHFFFAOYSA-N	227.069	-0.677	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@H]1CC[C@H]1C(=O)NN	2245129760	XXKRAZIHEAJTJG-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
Cc1nc(CNC(=O)C2(B(O)O)CCC2)no1	2247736857	ZXLSLFAOTZKYAG-UHFFFAOYSA-N	239.040	-0.609	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1occc1B(O)O	2247753149	CAPLKGSQXJUIDR-BWZBUEFSSA-N	237.064	-0.266	50	10	BBGE	
COC[C@@H]1C=CCN1C(=O)C1(B(O)O)CCC1	2247757918	YJJAHYSDBJWKIA-VIFPVBQESA-N	239.080	-0.203	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]1c1ncon1	2247799371	CKLPMGIEJSCEBZ-VQVTYTSYSA-N	237.024	-0.794	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCCCC[C@@H]1CO	2247799586	FUUKCCAFAVBBFR-OPRDCNLKSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCNCC12CCC2	2247808555	LQEPNCNISRCYPO-BDAKNGLRSA-N	238.096	-0.796	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C(=O)[C@H]1C[C@H](B(O)O)C1	2247810383	XACJLXNVIQZWQH-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CNCC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2247852964	DCBZVUQMXCBHOE-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
C[C@@H]1C[C@H]1CNC(=O)c1ncccc1B(O)O	2247869174	MZZJJAWJXOHCFJ-SFYZADRCSA-N	234.064	-0.853	50	10	BBGE	
C[C@@H]1C[C@H](N)CCN1C(=O)C1(B(O)O)CCC1	2247877898	KBDRLQUDLXKCQP-RKDXNWHRSA-N	240.112	-0.278	50	10	BBGE	
Cc1coc(NC(=O)c2occc2B(O)O)n1	2247879022	PDKTZYQLRQQLKA-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
CC(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1=O	2247898527	FGLGVPJSYLROMH-YIZRAAEISA-N	239.080	-0.120	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2(CCO2)CC1	2247899050	KBRUCOOQPPEMNO-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@@H]2B(O)O)n(C)n1	2247899408	NEHDSIGQNWQZQG-IUCAKERBSA-N	237.068	-0.792	50	10	BBGE	
C[C@H]1CN(C(=O)C#CB(O)O)[C@H](C)C(C)(C)O1	2250473046	PZWTVNPNRXFVDJ-DTWKUNHWSA-N	239.080	-0.584	50	10	BBGE	
C#C[C@H](CC(C)C)NC(=O)c1ccoc1B(O)O	2255461002	AXJMJNPRHQUPAO-SECBINFHSA-N	249.075	-0.263	50	10	BBGE	
O=C(C#CB(O)O)N1CCc2ccccc2CC1	2255467375	MGSRHUQTJHTRER-UHFFFAOYSA-N	243.071	-0.371	50	10	BBGE	
COc1ccc(C(=O)N2CC=CC2)cc1B(O)O	2255499465	ARUXUHCZFNIITA-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C=C(C)CONC(=O)c1cc(C)ccc1B(O)O	2255513178	MNVXFWMZMXDVFP-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
CC1(CNC(=O)c2cncc(B(O)O)c2)CCC1	2255522235	HAONAAHDSGMMJN-UHFFFAOYSA-N	248.091	-0.319	50	10	BBGE	
Cc1ccnc(NC(=O)c2n[nH]cc2B(O)O)c1	2255549379	RAFOIGNVNYFEOS-UHFFFAOYSA-N	246.035	-0.955	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(OC)cc1B(O)O	2255789425	GXYVEPSZPMAGBE-UHFFFAOYSA-N	247.059	-0.920	50	10	BBGE	
CN(CC1(C)CC1)C(=O)c1nccnc1B(O)O	2256055158	BSWOCEWHUFNQJT-UHFFFAOYSA-N	249.079	-0.972	50	10	BBGE	
C[C@@H](NC(=O)c1nccnc1B(O)O)C1CCC1	2256062816	XDLBOSMLELHZQM-SSDOTTSWSA-N	249.079	-0.925	50	10	BBGE	
C#CCC(=O)N1CCCc2c(B(O)O)cccc21	2256598838	BCTJYVGJXUDVGN-UHFFFAOYSA-N	243.071	-0.331	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1C[C@@H]1CC[C@H]1C(=O)NN	2298164811	JLMPFCMVPYVKGW-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]2[C@@H](C)O)cc1B(O)O	2298224590	QSWYZOIXNHZJLC-WEDXCCLWSA-N	236.080	-0.749	50	10	BBGE	
C[C@@H]1NC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)[C@@H]1C	2298369874	IDNYIBLAYXQGCL-JDDHQFAOSA-N	240.112	-0.553	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(B(O)O)CC1	2298374956	HZMQGPKODPPURQ-YIZRAAEISA-N	238.096	-0.668	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CC[C@@H](O)[C@H]1C1CC1	2298375518	NHLFYUUSZKMZPA-AXTSPUMRSA-N	239.080	-0.779	50	10	BBGE	
N#CCN(CC#N)CCC[C@H]1C[C@@H]1C(=O)NN	2300397974	WRGBLRFLHTWCBY-UWVGGRQHSA-N	235.291	-0.258	50	10	BBGE	
CCO[C@H](C)CN=c1cc(B(O)O)c(F)c[nH]1	2303834398	FJKBAQMKHLXGTF-SSDOTTSWSA-N	242.059	-0.841	50	10	BBGE	
CC[C@H](Nc1cc(B(O)O)c(F)cn1)[C@@H](C)O	2303835874	DJMNVMLQMISBBG-MUWHJKNJSA-N	242.059	-0.528	50	10	BBGE	
O=C(NC[C@@H]1O[C@H]2CC[C@H]1C2)C1(B(O)O)CC1	2307488692	QLSVLCWJLXWUFR-CIUDSAMLSA-N	239.080	-0.323	50	10	BBGE	
CC(C)[C@H](CN)Nc1ccc(B(O)O)cc1C#N	2317167909	NMPJQNQNQBPFFL-LBPRGKRZSA-N	247.107	-0.367	50	10	BBGE	
O=Cc1ccc(O[C@@H]2C=CCOC2)cc1B(O)O	2317310533	BPINPEAYFQKAQS-LLVKDONJSA-N	248.043	-0.487	50	10	BBGE	
O=C(O)CCNCC(=O)NNc1ccccn1	35386203	RIYKNUXDCHAGOC-UHFFFAOYSA-N	238.247	-0.411	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)NC(=O)[C@H](C)Cl	42576072	DPSSXESLDDXMAM-CRCLSJGQSA-N	235.671	-0.426	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCCC2)O1	82466037	RWFQMLZCLHCJBS-IUCAKERBSA-N	213.281	-0.380	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H](CN)C1	82468097	RYQXTWIJDMXIGT-BDAKNGLRSA-N	214.313	-0.719	50	10	BBGE	
CN(CCC(=O)NN)C[C@H]1CCCN1C	86190395	LZSVTRDAWVBJBA-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
NNC(=O)CN1CCOc2ccccc2C1=O	127878346	NVGSHHOTSJQOFD-UHFFFAOYSA-N	235.243	-0.489	50	10	BBGE	
O=C1NC(=O)[C@]2(CCCN(C(=O)CCl)C2)N1	167971445	RHFKANYVIBFEKO-SECBINFHSA-N	245.666	-0.574	50	10	BBGE	
COCCN(C)Cc1ccc(B(O)O)cc1F	199009884	RKXUKEFHDJXCLO-UHFFFAOYSA-N	241.071	-0.416	50	10	BBGE	
Cc1ccc(S(=O)(=O)N(C)CB(O)O)cc1	205324632	WEPAYMQWSMRELS-UHFFFAOYSA-N	243.093	-0.372	50	10	BBGE	
CC[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)B(O)O	206977138	XHZZNKZVBHMLMF-BDAKNGLRSA-N	244.100	-0.946	50	10	BBGE	
CCN(CC)C(=O)c1ccoc1B(O)O	216617266	IDIKXEOWUJTLIF-UHFFFAOYSA-N	211.026	-0.559	50	10	BBGE	
C[C@@H](CN(CCCO)C1CCC1)C(=O)NN	228568433	NMWBGRLPGXXRJF-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
COC[C@H](OCC(F)(F)F)C(=O)NN	232417451	YOUMDTZQBYNPII-BYPYZUCNSA-N	216.159	-0.430	50	10	BBGE	
COC[C@@H](OCCOC(C)C)C(=O)NN	232417512	YPYIEBYQIFLDHA-MRVPVSSYSA-N	220.269	-0.567	50	10	BBGE	
COC[C@H](Sc1ncc(C)cn1)C(=O)NN	232421603	QBQZAHDZPJSSOL-ZETCQYMHSA-N	242.304	-0.118	50	10	BBGE	
COC[C@@H](CNS(=O)(=O)CCl)OC	234719624	NHVHZAWDRLNNJG-ZCFIWIBFSA-N	231.701	-0.237	50	10	BBGE	
C[C@H]1CCC[C@H](CNC(=O)C(=O)NN)C1	235569821	XJKHMJHUBVSTNU-YUMQZZPRSA-N	213.281	-0.081	50	10	BBGE	
OB(O)c1nccc(-c2ccccc2)n1	238658683	RISQEYMMBFOXFM-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
OB(O)c1c([C@H]2CCCN2)ccc2c1OCO2	258077401	CCVAFUIDOYLFFZ-MRVPVSSYSA-N	235.048	-0.480	50	10	BBGE	
C[C@H]1/C(=N\NC(N)=O)CCS1(=O)=O	306842932	CCNFUSUKAABAJU-MOZAQFHVSA-N	205.239	-0.782	50	10	BBGE	
O=C1NCN[C@@H]2NC[C@@H](Br)C[C@@H]12	307243700	TVEONCXRTVWXFI-JKUQZMGJSA-N	234.097	-0.638	50	10	BBGE	
Nc1cc(N)c2ccsc2c1B(O)O	307288702	CWVNOBZZYLEOFW-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CSCN1	308517451	NHWVEEAQHLCSPO-RXMQYKEDSA-N	219.266	-0.574	50	10	BBGE	
CC[C@@H](CO)N(C)[C@H](C)CC(=O)NN	379035506	ZETDGPMBHHWDJB-SFYZADRCSA-N	203.286	-0.542	50	10	BBGE	
Cc1cnn(-c2cc(B(O)O)c(F)cn2)c1	381675793	XIRKPAWSTBVRFV-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
OB(O)c1cc(OCC(F)(F)F)ncc1F	382687156	LLDGJFUBHLJMNN-UHFFFAOYSA-N	238.933	-0.158	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N([C@@H](C(=O)NN)C(C)C)C1	383700933	SEWCTPJYKGCCJF-OPRDCNLKSA-N	245.323	-0.918	50	10	BBGE	
COCCOCCN(C)[C@H](C)CCC(=O)NN	384112709	YGKGTBGBUFSBLB-SNVBAGLBSA-N	247.339	-0.260	50	10	BBGE	
O=C(O)c1ccc(B(O)O)c2sc(O)cc12	396387795	TZKVPARRYZDNJM-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1ccncn1	396638970	OITROFZVTDLZQK-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CSCCC(N)=O)O1	399150411	FUIIMASTBJQAAZ-BQBZGAKWSA-N	247.320	-0.868	50	10	BBGE	
Cn1cc(C(=O)N2CCOC[C@@H](Cl)C2)nn1	399978891	WEILIZCKWJZSKR-ZETCQYMHSA-N	244.682	-0.105	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1CCC1	404929502	CBAZJEXGXYWITK-UHFFFAOYSA-N	226.066	-0.439	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	584940561	WBYRLSUNNRBFNQ-XVKPBYJWSA-N	219.049	-0.495	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccc(B(O)O)cc1	585000819	OARRFJJHHPWHPL-NXEZZACHSA-N	245.087	-0.105	50	10	BBGE	
OB(O)c1ccn(CCOC(F)(F)F)n1	694277964	XEKORXLVCIBKIW-UHFFFAOYSA-N	223.947	-0.901	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1C[C@@H]2C[C@H]2C1	697514881	DHDAHARAJKGRQU-GMTAPVOTSA-N	241.335	-0.031	50	10	BBGE	
C[C@@]1(CO)C[C@@H](O)CN1C(=O)CCl	698216997	VOUSBMNXZSDIHL-SVRRBLITSA-N	207.657	-0.431	50	10	BBGE	
C[C@H](Cc1ccccn1)NC(=O)C(=O)NN	703280059	WPGQRMLXKWVYFG-SSDOTTSWSA-N	222.248	-0.881	50	10	BBGE	
CC(=O)N[C@H](CC(C)C)C(=O)NNC(N)=O	704387155	WQVITCGFLVMULH-SSDOTTSWSA-N	230.268	-0.763	50	10	BBGE	
CN(N)C(=O)Cn1nnc(-c2ccco2)n1	704676003	HRZCNSFIOAAKLT-UHFFFAOYSA-N	222.208	-0.735	50	10	BBGE	
C=CCNC(=O)N1Cc2ccc(B(O)O)cc2C1	707985233	NHDPYDLKDRVWAO-UHFFFAOYSA-N	246.075	-0.422	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1CCc2cccc(B(O)O)c21	712200428	DEXKKYZYGCKDOG-PSASIEDQSA-N	245.087	-0.089	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1CC[C@H]2C[C@@H]12	717086618	DFTKVVQEANAECK-FXQIFTODSA-N	211.265	-0.471	50	10	BBGE	
C[n+]1n[nH]cc1CN[S@@+]([O])(=O)CCl	725595417	BBALZFQBBWYCDP-CYBMUJFWSA-O	225.681	-0.720	50	10	BBGE	
C[C@@H](CO)[C@H]1CCCCN1CC(=O)NN	829253557	QJPBSUKSPXWAKC-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1NNC(=O)N1C	953028894	YAVZULHOAHYUDN-CRCLSJGQSA-N	220.660	-0.784	50	10	BBGE	
Cc1nc(CC(=O)NNC(=O)c2ccc[nH]2)n[nH]1	1440649967	KWQOBMKFBXUTLD-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
COc1cccc(NNC(=O)CCC(N)=O)n1	1546067262	IUNUCWFXWHAVCW-UHFFFAOYSA-N	238.247	-0.201	50	10	BBGE	
C[C@@H](C#N)C(=O)NNC(=O)[C@H]1CCCCO1	1628547785	LBJANIXHXYSGHB-JGVFFNPUSA-N	225.248	-0.137	50	10	BBGE	
O=C(NNC(=O)c1cc[nH]n1)c1cscn1	1632704644	MNQGFMGXZVRUBX-UHFFFAOYSA-N	237.244	-0.059	50	10	BBGE	
CC[C@@H]1CC[C@H](C(=O)NNC(N)=S)O1	1877850341	LJGBAUXEFFZRNI-PHDIDXHHSA-N	217.294	-0.192	50	10	BBGE	
C[C@@H](NC(=O)/C=C/C(=O)Cl)C(N)=O	1883650009	ZNDPSIYRKRJZPL-FSSWKIGTSA-N	204.613	-0.702	50	10	BBGE	
COC(=O)c1cc(N)c(C)c(B(O)O)c1	1887507792	IXVZEZXXTLXZQD-UHFFFAOYSA-N	209.010	-0.956	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCOC[C@@H](F)C1	1900258246	JKYAZLROBUAKRZ-CIUDSAMLSA-N	233.287	-0.329	50	10	BBGE	
NCCC(CCN)NC(=O)[C@H]1C[C@@H]1Cl	1905124380	LQDFABRGHPUOOP-YUMQZZPRSA-N	219.716	-0.204	50	10	BBGE	
CS[C@@H]1CC[C@H]1N(C)CC(=O)NNC(C)=O	1905408592	GSTBNXHWDINKDJ-RKDXNWHRSA-N	245.348	-0.021	50	10	BBGE	
CC1(C#N)CN(C[C@@H]2CC[C@H](C(=O)NN)O2)C1	1908715588	NFOYCWYNULYBBX-DTWKUNHWSA-N	238.291	-0.631	50	10	BBGE	
CC(C)CC1(O)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1908995100	KFADEBWCVASIIV-VHSXEESVSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CCC[C@@H]1CN(C)C(=O)C(=O)NN	1909623182	LGWADRSHMFUKCT-HTQZYQBOSA-N	213.281	-0.129	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@@H]3C[C@H](C2)O3)C1	1910352216	KHVVFGMYBBKNDH-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
Cn1cc(C=CC(=O)NNC(N)=O)cn1	1911736644	LVNBDBWQQYTPSF-UHFFFAOYSA-N	209.209	-0.867	50	10	BBGE	
CSCC(=O)Nc1ncccc1B(O)O	1913662229	BPYJNTNFWPDALJ-UHFFFAOYSA-N	226.066	-0.937	50	10	BBGE	
CCS(=O)(=O)N(C)CC(C)(C)C(=O)NN	1913806774	BEVGYHAPCIUPCZ-UHFFFAOYSA-N	237.325	-0.716	50	10	BBGE	
NNC(=O)COCCN1CCC[C@@H]2C[C@@H]21	1916276160	OMUFNYSEQFNWKF-BDAKNGLRSA-N	213.281	-0.523	50	10	BBGE	
N[C@@H]1C[C@H]1NS(=O)(=O)CBr	1923172894	POLALRBJFLWHLE-QWWZWVQMSA-N	229.099	-0.642	50	10	BBGE	
NNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C2)C1	1927791611	IAJBAFWAWWIROT-SFYZADRCSA-N	211.265	-0.375	50	10	BBGE	
CCC[C@H]1CCN1CCOCC(=O)NN	1928180778	FWDSRGWEKGNYKB-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CC(N(C)CC(=O)NN)C[C@@H](C)O1	1929910914	PZBSMKDEPRTZCM-HTQZYQBOSA-N	215.297	-0.136	50	10	BBGE	
C[C@@]1(CCl)CN(C[C@H](O)CO)C1=O	1931733186	GPIWIWMSSADRFA-POYBYMJQSA-N	207.657	-0.573	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@H]1COC[C@@H]1O	1933389374	MYEZIBXSERQPTQ-CSMHCCOUSA-N	221.684	-0.015	50	10	BBGE	
CCn1ccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1936081648	ABJUDZLTWOAVRS-SFYZADRCSA-N	224.264	-0.704	50	10	BBGE	
CCN(CCCCC(=O)NN)C1CN(C)C1	1937466939	ASTHEGYBLAUSQH-UHFFFAOYSA-N	228.340	-0.218	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](CO)C1(C)C	1938474492	PRVCDLRLHLFZHB-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1COCCCO1	1939091725	HNBDEZUGBVHBDQ-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2CCCC[C@@H]21	1939935499	PGTRIJYGFABNIX-GUBZILKMSA-N	227.308	-0.134	50	10	BBGE	
CN(C)NC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)O	1940204274	XZCWGDQGSNNXNA-RNJXMRFFSA-N	243.263	-0.511	50	10	BBGE	
C[C@@]12C[C@@H]1C(=O)N(CC(F)(F)C(=O)NN)C2=O	1946986963	CGQVVQHINASCFU-SPGJFGJESA-N	247.201	-0.993	50	10	BBGE	
CCc1c(CN(C)[C@H](C)C(=O)NN)cnn1C	1947409655	NXNDZTGEHVHWEZ-MRVPVSSYSA-N	239.323	-0.207	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H](O)CC23CCC3)CC1	1949819174	QJNZSMJREBZVTI-VIFPVBQESA-N	239.319	-0.254	50	10	BBGE	
CC12CC(C(=O)NCB(O)O)(C1)C1(CCC1)O2	1951238640	DRWHGHUWDPTSMO-UHFFFAOYSA-N	239.080	-0.394	50	10	BBGE	
N#C[C@@H](Cl)CN1CCNC[C@H](O)C1	1954215837	QQTOQVFDDHVHQY-SFYZADRCSA-N	203.673	-0.617	50	10	BBGE	
COCC1(C(=O)NNC(N)=S)CC1	1954349249	UTYKWKXIMWXFHK-UHFFFAOYSA-N	203.267	-0.723	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1[nH]cnc1C	1957280173	TWIVEMUXSBCKSC-UHFFFAOYSA-N	218.238	-0.952	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@@H](F)[C@H](F)C1	1960934125	VCUIRXLJAOAMMY-ULAWRXDQSA-N	219.235	-0.396	50	10	BBGE	
O=C(C1[C@@H]2CS(=O)(=O)C[C@@H]12)N1CC(Cl)C1	1962303990	GGIUUXIZOCZASW-RNFRBKRXSA-N	249.719	-0.273	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1962488069	SCSJFOHGQAKDHM-VXNVDRBHSA-N	209.249	-0.623	50	10	BBGE	
C[C@H](O)[C@H](O)CNC(=O)C1CC(Cl)C1	1965141046	VBOMHJQPVRFCID-FACXLHOTSA-N	221.684	-0.138	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)C(C)(C)C1	1981195330	AEXZZVNVOUUTEY-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@@H](CF)C1	1981247917	JBHQHEXFUMQDPK-CIUDSAMLSA-N	233.287	-0.329	50	10	BBGE	
C[C@H](C1CC1)N(C)c1ncccc1B(O)O	1981423636	HGKJYBJHRABQKA-MRVPVSSYSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H]1C[C@H](F)CN1c1ncccc1B(O)O	1981425390	FZVQRXTVBIEINK-SFYZADRCSA-N	224.044	-0.302	50	10	BBGE	
CNC1(C(=O)N2CC=C(C#N)CC2)COC1	1981623998	GWLYQNNDSDFUPI-UHFFFAOYSA-N	221.260	-0.343	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC2(CC(O)C2)C1	1981993277	OEJPBYUQEQGRHJ-SILCLGDVSA-N	227.308	-0.398	50	10	BBGE	
C[C@@H](CN1C[C@@H](C(F)F)CC1=O)C(=O)NN	1982224874	SGSXFCBEIBMWBD-WDSKDSINSA-N	235.234	-0.274	50	10	BBGE	
CO[C@H]1C[C@H](CN(C)C(=O)NN)C[C@H]1OC	1982346060	KXHCVUXUZKUJQM-PSVAKVPMSA-N	231.296	-0.059	50	10	BBGE	
CO[C@H](C)CCN(C)CC(F)(F)C(=O)NN	1984686397	IIFIAUGRLQADIJ-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
C[C@H](O)CC(=O)Nc1cccc(B(O)O)c1	1990070288	HANKMHXXXCZCOU-ZETCQYMHSA-N	223.037	-0.924	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)C[C@@H](C)OC	1990774326	HLNOCMRWTWSXSI-MRVPVSSYSA-N	231.296	-0.490	50	10	BBGE	
COC[C@H](C)CN(C)CC(=O)NNC(C)=O	1990774604	LCWUVDSYBLXEOP-MRVPVSSYSA-N	231.296	-0.632	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCS1	1990774639	LOHROFMPDNVMIH-VIFPVBQESA-N	245.348	-0.019	50	10	BBGE	
O=C([C@@H]1C[C@H]1Cl)N1CC[C@@](CO)(C(=O)O)C1	1991686109	OKMPUQLKIHBUFI-BRDIYROLSA-N	247.678	-0.091	50	10	BBGE	
NC[C@H]1C[C@@H](NC(=O)/C=C/C(=O)Cl)CCO1	1991702079	PHVWMOBVTPUTQM-PPYPBTKYSA-N	246.694	-0.070	50	10	BBGE	
C=C(CN(C)[C@@H](C)CS(=O)(=O)CC)B(O)O	1992144393	ADRWLOCKWIKOAJ-VIFPVBQESA-N	249.141	-0.690	50	10	BBGE	
CO[C@@H]1C[C@@H](C)CC[C@@H]1N(C)C(=O)C(=O)NN	1998885999	UHWWGCSQUSPZGM-XHNCKOQMSA-N	243.307	-0.362	50	10	BBGE	
COCCOCOc1cc(C)cc(B(O)O)c1	2003069163	UBWJTPHMNFUXLH-UHFFFAOYSA-N	240.064	-0.326	50	10	BBGE	
C[C@H]1CCC[C@@H](C)N1c1ncc(B(O)O)cn1	2004911777	KTAOSQXLRUDXJJ-DTORHVGOSA-N	235.096	-0.076	50	10	BBGE	
CC(C)N1C[C@H]2C[C@H]1CN2CCCC(=O)NN	2014230700	RHDJFGOCRRYUFF-MNOVXSKESA-N	240.351	-0.077	50	10	BBGE	
N#CC1=CCN(C(=O)C2=C[C@@H](O)[C@H](N)C2)CC1	2014507036	YVKDITUUPKGFEM-GHMZBOCLSA-N	233.271	-0.313	50	10	BBGE	
C[C@H]1C[C@H]1CN(C)c1ncc(F)cc1B(O)O	2014925890	GPZZQQSQDJZFGP-YUMQZZPRSA-N	238.071	-0.007	50	10	BBGE	
CC(=O)NNC(=O)CN1CCO[C@@H](CCF)C1	2019211500	QIGZWROZNDUORA-VIFPVBQESA-N	247.270	-0.786	50	10	BBGE	
O=C(Cc1ccc(O)cc1)NCC=CB(O)O	2020062315	PYAURFIFLVZEGL-UHFFFAOYSA-N	235.048	-0.381	50	10	BBGE	
OB(O)c1cccnc1OC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2026810315	DFWIAQUQBNKVGF-FNCVBFRFSA-N	231.060	-0.205	50	10	BBGE	
OB(O)c1cnccc1N(C1CCC1)C1COC1	2052467750	USPTXMJSZQRCNY-UHFFFAOYSA-N	248.091	-0.481	50	10	BBGE	
CCOc1c(B(O)O)c(C)nn1C(C)C	2059952143	PHJHINFALYNPQW-UHFFFAOYSA-N	212.058	-0.149	50	10	BBGE	
CCOc1c(B(O)O)ccc(C=O)c1OC	2060132615	IAQGZRFKYVERPA-UHFFFAOYSA-N	224.021	-0.414	50	10	BBGE	
N#C[C@H]1CCN(C(=O)N[C@@H]2CCC=C2B(O)O)C1	2076081315	HRFIELAJMUFVAR-PSASIEDQSA-N	249.079	-0.358	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CC[C@@H]1C(F)(F)F	2210157025	DTXRNMZCAOUIDV-UHNVWZDZSA-N	239.197	-0.319	50	10	BBGE	
OB(O)c1ccnc(N2CCC(F)CC2)c1	2212601646	QUZXQPGORPFYKS-UHFFFAOYSA-N	224.044	-0.300	50	10	BBGE	
C[C@@H](N)CCCOc1ccc(B(O)O)cn1	2212603831	JMDQYRPAYLUCOW-MRVPVSSYSA-N	224.069	-0.732	50	10	BBGE	
CC=C1CN(c2cc(B(O)O)c(C)cn2)C1	2212606307	RSFHNFFDABDSHP-UHFFFAOYSA-N	218.065	-0.164	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H](O)CCC12CC2	2214781718	ZCGJEFPBSRAGFE-VHSXEESVSA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H](O)C[C@@H](F)C1	2215775492	HHRBCOZPMQIUST-IMSYWVGJSA-N	245.298	-0.593	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC=CC[C@@H]1CO	2215777532	SZUVPDYGNNPINI-HBNTYKKESA-N	239.319	-0.375	50	10	BBGE	
C[C@@H]1CCN(CC2(C(=O)NN)CCC2)C[C@H]1O	2216494707	DQHKNSGGPAQLGZ-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CCCC2)CC1	2216881808	PLBZLMXPQNPZLG-UHFFFAOYSA-N	240.351	-0.216	50	10	BBGE	
C[C@@H](CNC1CC1)Oc1ncccc1B(O)O	2217165106	FZUVYABOKVXHLY-QMMMGPOBSA-N	236.080	-0.719	50	10	BBGE	
C[C@@H]1[C@H](CNc2ncc(B(O)O)cn2)C1(F)F	2217174983	BIHGNCOJIAVFEG-VDTYLAMSSA-N	243.022	-0.531	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1c1ncccc1B(O)O	2217178321	ULDQOHCNOGMZAO-RKDXNWHRSA-N	236.080	-0.889	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H]2CN)cc1B(O)O	2217179626	AAYLVIUVQUQHJI-WPRPVWTQSA-N	235.096	-0.781	50	10	BBGE	
OB(O)c1ccnc(N2CC=C[C@@H]2CF)c1F	2217184367	OWQKMVVFVAYATC-SSDOTTSWSA-N	240.018	-0.385	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCCO1	2217203729	ZOSLLGHPZXRYSH-SECBINFHSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1ccnc(NC2C[C@@H]3COC[C@H]3C2)c1	2223627708	NFQRDGXJWXTNOJ-RKDXNWHRSA-N	248.091	-0.402	50	10	BBGE	
C#Cc1ccc(Nc2ncc(B(O)O)cn2)cc1	2223628920	RXMCUMNTPRXJNH-UHFFFAOYSA-N	239.043	-0.119	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CCOC[C@H]2C3)c1	2223634810	OSPPWAZDELKBRO-SKDRFNHKSA-N	248.091	-0.400	50	10	BBGE	
OB(O)c1cccnc1NCc1ccc(F)cn1	2223641783	DFTQKGQHBOBKGU-UHFFFAOYSA-N	247.038	-0.092	50	10	BBGE	
Cc1cnc(N[C@@H]2[C@@H]3CCCO[C@H]32)cc1B(O)O	2223644207	GDQVFCQTVQFUCB-XXILOJSOSA-N	248.091	-0.341	50	10	BBGE	
OB(O)c1ccc(OC[C@@]23CC[C@@H]2CNC3)nc1	2223655726	DOPHAUMKKSDHAZ-SKDRFNHKSA-N	248.091	-0.860	50	10	BBGE	
CC1(C)CN(c2cc(B(O)O)ccn2)C[C@@H]1CN	2223670284	VLVPVLUAAXKAHA-VIFPVBQESA-N	249.123	-0.818	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CCNC[C@H]32)c1	2223670340	WODMETINXPMQIM-HBNTYKKESA-N	247.107	-0.971	50	10	BBGE	
CCN1CC[C@@H](CNc2ncccc2B(O)O)C1	2223671104	HPMKLGKXPCLILR-JTQLQIEISA-N	249.123	-0.485	50	10	BBGE	
OB(O)c1cnc(=NCC2C[C@H]3CC[C@@H]3C2)[nH]c1	2223673090	WGVPTEHNQKKGML-NXEZZACHSA-N	247.107	-0.574	50	10	BBGE	
CCNC(=O)c1cc(C)sc1B(O)O	2241481747	YLDZOECSQPXXJR-UHFFFAOYSA-N	213.067	-0.514	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@]2(O)C[C@@H]2C1	2242834214	QJKINYKWJJTECS-CKEKPRIKSA-N	227.308	-0.542	50	10	BBGE	
O=C(Nc1cnoc1)c1cscc1B(O)O	2243346563	AOEFYBJQMCWQGQ-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1occc1B(O)O	2243364426	WZZRIHGTUJOIRA-ZETCQYMHSA-N	225.053	-0.266	50	10	BBGE	
C=CCNC(=O)c1c(C)cccc1B(O)O	2243374777	JZGLEKRURNCWCY-UHFFFAOYSA-N	219.049	-0.409	50	10	BBGE	
CC(C)[C@H](C)NC(=O)c1sncc1B(O)O	2243385591	LGZYSXGMTJRCSB-LURJTMIESA-N	242.109	-0.403	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1cscc1B(O)O	2243398748	TWNMIXCSVJIHKB-NKWVEPMBSA-N	239.105	-0.186	50	10	BBGE	
C=C=CCCNC(=O)c1nscc1B(O)O	2243398926	VIRBOEUEKCTTKM-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2243401066	LQLCHPHTWXKWHR-ZBGLXGBJSA-N	219.049	-0.980	50	10	BBGE	
C#CC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2243405047	YPHBFJDVFIPQEM-GUBZILKMSA-N	221.065	-0.233	50	10	BBGE	
N[C@@H]1CCC[C@H]1CNC(=O)C1(B(O)O)CC1	2243408627	QUFCMODNOPKIHR-JGVFFNPUSA-N	226.085	-0.763	50	10	BBGE	
C=CCNC(=O)c1cc(Cl)ccc1B(O)O	2243411258	QPSBFSKFHCUQDR-UHFFFAOYSA-N	239.467	-0.064	50	10	BBGE	
C=C(CS(=O)(=O)Nn1ccc(C)c1)B(O)O	2243412870	VLZBCDMVQDUURS-UHFFFAOYSA-N	244.081	-0.762	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)[C@@H]1C[C@@H]1B(O)O	2243420510	UTZNOVSJOWIWSN-KPOOTMIGSA-N	221.065	-0.380	50	10	BBGE	
C[C@H](C(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2243753091	QMYRPWODVZPOPJ-ZCFIWIBFSA-N	229.041	-0.685	50	10	BBGE	
OB(O)c1cccnc1NCC[C@H]1CCO1	2246225882	HZJCMLSMTCTRFQ-QMMMGPOBSA-N	222.053	-0.648	50	10	BBGE	
O=C(N1CCC[C@@H]1CCO)C1(B(O)O)CCC1	2247736576	XBSSZWHMBZRSNA-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
CC1=C[C@H](NC(=O)c2ccoc2B(O)O)CC1	2247737285	FMTSYAGEWNVEGE-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247738763	VKRNBVQIQABSMJ-QMSLJYSESA-N	237.064	-0.409	50	10	BBGE	
COCCC1(CN(C)C(=O)C#CB(O)O)CC1	2247744529	UNAGBGULURAASB-UHFFFAOYSA-N	239.080	-0.723	50	10	BBGE	
C=CCC[C@H](C)NC(=O)c1cc(B(O)O)c[nH]1	2247747037	IGJDYZGPLOISDP-QMMMGPOBSA-N	236.080	-0.221	50	10	BBGE	
Cc1ccc(C(=O)N2CCCO2)cc1B(O)O	2247752736	UZZPOJAKRVDAHK-UHFFFAOYSA-N	235.048	-0.548	50	10	BBGE	
O=C(N[C@H]1[C@H]2OCCC[C@@H]21)[C@H]1C[C@@H](B(O)O)C1	2247786246	YCDCAKSPPKWBHK-ZOZBQHSOSA-N	239.080	-0.467	50	10	BBGE	
Cc1ccnc(C(=O)NC2CCC2)c1B(O)O	2247792372	USAUXPNSMNGWDI-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
O=C(NC[C@@H]1C[C@]12CCOC2)[C@@H]1C[C@H]1B(O)O	2247798670	WDOQXQFEFOAYAF-SJQPAMGKSA-N	239.080	-0.608	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)CCN1	2247801018	WCAOHHYEDGHZNK-XNWIYYODSA-N	240.112	-0.550	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1F)[C@H]1C[C@H](B(O)O)C1	2247808928	NFKFCXYKCIYIFM-BGZDPUMWSA-N	245.059	-0.517	50	10	BBGE	
C[C@H]1C[C@@]1(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247848207	ILJJCIYBABAXHP-CPCISQLKSA-N	236.080	-0.530	50	10	BBGE	
CC(C)=C(F)CNC(=O)c1ccc(B(O)O)o1	2247850287	MNEOFNJWKMCCJG-UHFFFAOYSA-N	241.027	-0.047	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247855192	OOOJUBOCFFDMNO-IWSPIJDZSA-N	240.112	-0.565	50	10	BBGE	
C=C[C@H](C)NC(=O)c1cc(B(O)O)ccc1C	2247875411	XXVJSRDYWUNRGU-VIFPVBQESA-N	233.076	-0.021	50	10	BBGE	
COC[C@@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247888002	USJJHIWNPXBHCM-OPRDCNLKSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1[C@H]2NCCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894192	DEEZJBPDIMJGDX-GRDBIXFFSA-N	238.096	-0.894	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1(C)C	2247896940	MCCLQECUSXOKAS-XSPKLOCKSA-N	241.096	-0.221	50	10	BBGE	
NCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899175	LCEZXDIEKGMSIH-IVZWLZJFSA-N	240.112	-0.563	50	10	BBGE	
COC[C@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2247899681	PEZLWJTWGVTNPY-YWVKMMECSA-N	241.096	-0.219	50	10	BBGE	
CC(C)OC(=O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247900387	WJZKSILXCNWLCL-ZKCHVHJHSA-N	243.068	-0.693	50	10	BBGE	
O=C(NCC1CC1)c1ccc(B(O)O)cc1O	2247960787	AAHVEZCDYSRMGY-UHFFFAOYSA-N	235.048	-0.788	50	10	BBGE	
C=C[C@H](C)CC(=O)Nc1cccc(B(O)O)n1	2248416254	PJHJAZYGVMFXJU-QMMMGPOBSA-N	234.064	-0.088	50	10	BBGE	
Cc1nc(C(=O)N[C@@H]2CCC=C2B(O)O)no1	2248416288	PVGOCMPCNBGRSP-SSDOTTSWSA-N	237.024	-0.791	50	10	BBGE	
C/C=C/C[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C(=O)O	2248575750	HXFGWKPTLFHWJT-MFJXDXPJSA-N	241.052	-0.615	50	10	BBGE	
CC1(C)[C@@H](C(=O)NCCC#CB(O)O)C1(F)F	2249998610	LDGCDLFTAXQCER-SSDOTTSWSA-N	245.034	-0.201	50	10	BBGE	
CCCN(C[C@H](C)O)C(=O)C1CC(B(O)O)C1	2250596951	RELGMXGGEPZREV-IDKOKCKLSA-N	243.112	-0.141	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1ccc(B(O)O)o1	2255466959	GUFOCEAGSGSJDA-AYMMMOKOSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@@H]2CC[C@H]21	2255732927	CPAJVAROQVHSAT-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
C#CCOCC(=O)Nc1ccc(C)c(B(O)O)c1	2256674927	NEYACQVMYKZRNV-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
O=C(NCc1ccccn1)c1cocc1B(O)O	2258134960	YNKVASGDFPJZIR-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2C(=O)[C@@H]1C[C@@H]1B(O)O	2298368558	LHRHTOXNNWWPFB-GLLZPBPUSA-N	237.064	-0.223	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)CCN1	2298369916	IWVWNKQFQFYLSI-SGIHWFKDSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CN1	2298371095	ZWCUXUWQWHWPQU-SGIHWFKDSA-N	240.112	-0.504	50	10	BBGE	
CCC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377043	BPGWHZZBAIFGRQ-ZYUZMQFOSA-N	241.096	-0.077	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2299935614	YFHZSMNWUMODJI-CDLYGTGVSA-N	241.096	-0.389	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CCCn1cccnc1=O	2300382544	HJTAWZIHGGIDSB-DTWKUNHWSA-N	236.275	-0.351	50	10	BBGE	
CC[C@@](C)(CN)Oc1cc(B(O)O)c(F)cn1	2303849163	HBRBOVXCUCVWKJ-JTQLQIEISA-N	242.059	-0.593	50	10	BBGE	
N[C@@H]1C[C@@H](COc2cc(B(O)O)ccn2)[C@@H]2C[C@H]12	2312614229	BLZKELBSXXKUSQ-DMLMCSCLSA-N	248.091	-0.877	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCC[C@H]1CCO1	2317152599	DGVDHXZFXLRJTG-NSHDSACASA-N	246.075	-0.171	50	10	BBGE	
CC(C)[C@@H](C)NC(=O)CCC(=O)NN	58854137	IYRKYUBZGAZRBJ-SSDOTTSWSA-N	201.270	-0.083	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCC(=O)N(C)C1=O	84406424	WHRZWWCXHIXOHU-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NN	86190435	QBDXTYHLBOPKAE-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
Cn1ncc2c(=O)n(CCCl)nnc21	87121314	BMEQSOVWIAXGBZ-UHFFFAOYSA-N	213.628	-0.236	50	10	BBGE	
NNC(=O)c1cn(CCOCC(F)F)nn1	131009953	HCHVVXAWVQLQSZ-UHFFFAOYSA-N	235.194	-0.837	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3CC[C@@H]2O3)CC(=O)O1	133372817	QEEMIVPPECUFAR-PRJMDXOYSA-N	211.217	-0.308	50	10	BBGE	
COC(=O)[C@H]1C[C@@H]1C(=O)NNc1ncccn1	171367800	UYEVIPKKNIMNJC-BQBZGAKWSA-N	236.231	-0.271	50	10	BBGE	
CCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O	197127626	KYIRAKNWGLQGKF-IUCAKERBSA-N	228.101	-0.493	50	10	BBGE	
CCNc1cc(C(=O)NN=C(N)N)ccn1	205234909	GRZMHVMPNBYGJN-UHFFFAOYSA-N	222.252	-0.568	50	10	BBGE	
CCCC[C@H](NC(=O)[C@H](N)CCC)B(O)O	213698212	XXFWXPTVDDISDU-BDAKNGLRSA-N	230.117	-0.199	50	10	BBGE	
O=C1O[C@H](CCl)[C@@H]2[C@H](O)[C@H](O)CN12	221931932	PFDBLPDEHWWDQS-KVTDHHQDSA-N	207.613	-0.850	50	10	BBGE	
COC[C@@H](OC1CCCC1)C(=O)NN	232417441	FFIIEHYLOLCLEZ-MRVPVSSYSA-N	202.254	-0.050	50	10	BBGE	
OB(O)c1cnc(-n2cccn2)cc1F	238654638	PJDWVDKLFHLAKG-UHFFFAOYSA-N	206.973	-0.914	50	10	BBGE	
Cn1cccc(C(=O)NNC(=O)CC2CC2)c1=O	294019880	CANUFRYUHAULMK-UHFFFAOYSA-N	249.270	-0.054	50	10	BBGE	
CNC(=O)[C@@H]1CCCN([C@H](C)CC(=O)NN)C1	300031592	QIUXIKXWCAUKFY-RKDXNWHRSA-N	242.323	-0.787	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCCO	300836758	PWZZDGGVIYLUSJ-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[C@@H]1CCO	304536071	JSUQYXZJAKLFGM-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
Nc1nc(CCl)nc(N[C@@H]2COC[C@@H]2O)n1	323704123	RKUZMCOHMUWOKJ-UHNVWZDZSA-N	245.670	-0.636	50	10	BBGE	
COC[C@]1(C)CCN(CCC(=O)NN)C1	381414383	YSPFXARZQBKYQW-SNVBAGLBSA-N	215.297	-0.275	50	10	BBGE	
C[C@@H]1CN(CCCCCC(=O)NN)C[C@H]1O	388709717	YIVDBGHNKYCGLK-NXEZZACHSA-N	229.324	-0.151	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CCOC[C@H](O)C1	399884397	GBLYUVRALGZRQB-RKDXNWHRSA-N	245.323	-0.916	50	10	BBGE	
C[C@@H]1C[C@H](N(C)CCCC(=O)NN)CO1	401516932	KYSXZIDHUWYOTR-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCOCCC(=O)Nc1cc(B(O)O)ccn1	404904841	BWIGICVXHYOISG-UHFFFAOYSA-N	238.052	-0.874	50	10	BBGE	
C[C@@H]1CN(CCCC(=O)NN)C(=O)O1	688530943	WQUHSAJUFNKODL-ZCFIWIBFSA-N	201.226	-0.403	50	10	BBGE	
CN1C(=O)C[C@@H](N2CCC(O)(C#N)CC2)C1=O	692113898	MHDXQCDDHFORGE-MRVPVSSYSA-N	237.259	-0.906	50	10	BBGE	
N#CC1(O)CCN(c2nccn3cnnc23)CC1	692157681	QQBOTLYNVNFLRJ-UHFFFAOYSA-N	244.258	-0.021	50	10	BBGE	
NC(=S)NNC(=O)CCn1ccccc1=O	700846944	AJCDVNBQOHSGAC-UHFFFAOYSA-N	240.288	-0.897	50	10	BBGE	
O=C(NCB(O)O)c1cccn1CC(F)F	706510799	KUUWGQDHZDJFRX-UHFFFAOYSA-N	231.995	-0.505	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1CCOC[C@H]1Cl	706705357	ZAFGRRGPRNCCHM-RITPCOANSA-N	217.660	-0.560	50	10	BBGE	
CCCC1(O)CCN(C(=O)C(=O)NN)CC1	710211896	ZXKRTEYPMAHXDA-UHFFFAOYSA-N	229.280	-0.870	50	10	BBGE	
C=C[C@H](CO)NS(=O)(=O)CCCl	717535050	SJNCLFFEEISYIF-ZCFIWIBFSA-N	213.686	-0.309	50	10	BBGE	
C#CCC(C)(C)C(=O)NNC(=O)c1cnn[nH]1	767973201	MJWNZYVSXHDFQK-UHFFFAOYSA-N	235.247	-0.385	50	10	BBGE	
CN(NC(=O)[C@@H]1CSC(=O)N1)C1CC1	819647878	SOIFDCFDPDOAPD-LURJTMIESA-N	215.278	-0.063	50	10	BBGE	
CN(C)C(=O)NNC(=O)C(C)(C)n1cccn1	824627761	WDFXNBFIBHPFLX-UHFFFAOYSA-N	239.279	-0.079	50	10	BBGE	
CCO[C@H]1COCC[C@@H]1CC(=O)NN	870852749	MOMZSVWFVRFWRL-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
CCO[C@H](C)C(=O)NNC(=O)c1ncon1	1289418307	SAFQXWGWQHCBEY-RXMQYKEDSA-N	228.208	-0.744	50	10	BBGE	
Cn1cc(C(=O)NNc2ncccn2)n(C)c1=O	1464019622	QWAWKWIQUJKGLL-UHFFFAOYSA-N	248.246	-0.729	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC[C@@H]2C[C@H]2Cl)C1	1877395149	XSYRLSGSQAZFEB-JQCXWYLXSA-N	204.701	-0.122	50	10	BBGE	
CC(C)(C)OC(=O)NCC1(C(=O)NN)COC1	1880063891	JRDVNZYYOYUQDW-UHFFFAOYSA-N	245.279	-0.482	50	10	BBGE	
N[C@@H](CO)C(=O)N[C@H]1C[C@@H](Br)C1	1880964776	OCMJFHXPFIAGSI-JKUQZMGJSA-N	237.097	-0.652	50	10	BBGE	
COC[C@@H](N)C(=O)NC1CC(Cl)C1	1881718265	DFIVKEUEPAKGFV-KPGICGJXSA-N	206.673	-0.154	50	10	BBGE	
C=C(Cl)CO[C@@H](COC)C(=O)NN	1882110207	GWYZUKNTYFHIOD-LURJTMIESA-N	208.645	-0.240	50	10	BBGE	
NC(=O)NNC(=O)[C@H](F)C(F)(F)F	1882212291	NHHXUDAERQXOGM-SFOWXEAESA-N	203.095	-0.414	50	10	BBGE	
O=C(F)NCc1cnc(B(O)O)s1	1882784850	YODWYXXIAFPMOR-UHFFFAOYSA-N	203.991	-0.998	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1CCNC1	1883626680	JZTJOXZKSZURGO-LURJTMIESA-N	202.641	-0.214	50	10	BBGE	
NNC(=O)C1(CO[C@@H]2CCOC2)CC1	1886076676	KYZKIDPZCTZFFY-SSDOTTSWSA-N	200.238	-0.438	50	10	BBGE	
C[C@H]1OC2(C(=O)NNC(N)=S)CC1C2	1889713210	ACWMUAMPAFVMBV-YLTAPMQJSA-N	215.278	-0.582	50	10	BBGE	
COCCCN1CC[C@](C)(B(O)O)C1	1891586723	WTNUJVQEZOPQHM-VIFPVBQESA-N	201.075	-0.038	50	10	BBGE	
CSC1CN(CC(=O)NNC(C)=O)C1	1892435735	DCRFCKOWKPKGHA-UHFFFAOYSA-N	217.294	-0.799	50	10	BBGE	
O=C1C[C@H](C(=O)NC[C@@H]2C[C@@H]2Cl)CN1	1893088392	LSEXMYKEZMKIKN-ACZMJKKPSA-N	216.668	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C	1896272512	VPSDNARXMXUACG-IMSYWVGJSA-N	226.324	-0.611	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H]2[C@H](O)C[C@H]2C1	1898239159	VVLLXUIVMJHDSH-SGIHWFKDSA-N	227.308	-0.542	50	10	BBGE	
CN1CC[C@@H]1COCC1(C(=O)NN)CCC1	1899507743	BPQVZLXLXZVJQO-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC(CCC#N)C1	1900620962	DJWLCLAXGNXJTJ-SECBINFHSA-N	226.280	-0.773	50	10	BBGE	
CN(NC(=O)[C@@]1(C)CC[C@H](N)C1)S(C)(=O)=O	1901341374	UODYPXMAIRKDNN-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@H]2[C@@H]3COC[C@@H]32)C1	1902546726	RBTPXQPFTLAOTB-LMLFDSFASA-N	225.097	-0.182	50	10	BBGE	
C[C@@H](N)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903005364	GERIJUXZVNHXDP-PHDIDXHHSA-N	227.048	-0.952	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3C[C@@H]32)ncc1F	1903006371	SBZNDRVFULDGTJ-MUWHJKNJSA-N	222.028	-0.501	50	10	BBGE	
C[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NN	1912216975	ZXWBLFLOGTXQPP-SSDOTTSWSA-N	247.254	-0.091	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN(CCO)C1CC1	1927914079	QKAZALKRSPKXCE-VXNVDRBHSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](CO)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927914213	RQQAKDDEZOUQKM-XHNCKOQMSA-N	215.297	-0.827	50	10	BBGE	
COc1ccsc1C(=O)NNCCO	1929834878	JNJAGFNYNSJJGU-UHFFFAOYSA-N	216.262	-0.017	50	10	BBGE	
COc1cc(C(=O)NNCCO)sn1	1929838173	KEJVQRJJUBXFMK-UHFFFAOYSA-N	217.250	-0.622	50	10	BBGE	
COCCC1CN(CCC(=O)NN)C1	1932057744	OOAFQOHFUMXHAT-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CC[C@H](CN)S[C@H](COC)C(=O)NN	1934334786	ZZOZYXGISGSLNO-RNFRBKRXSA-N	221.326	-0.538	50	10	BBGE	
C[C@H]1OC2(C)CC1(C(=O)NNCCO)C2	1935038307	FSILYMKZMFYLDE-CUUXFQNZSA-N	214.265	-0.443	50	10	BBGE	
C[C@H]1CCC(=O)N(CC(F)(F)C(=O)NN)C1	1935927881	GEJDAEUKQMCSJW-LURJTMIESA-N	235.234	-0.130	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C(=O)C1	1936083605	JFBCCDDLTSNHAY-IWSPIJDZSA-N	225.292	-0.129	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC(OC(F)F)C1	1936094417	MVEIGSGUUKTGDH-VDTYLAMSSA-N	235.234	-0.464	50	10	BBGE	
Cc1cc(SCCOCC(=O)NN)n(C)n1	1936526586	OJQLAOWDSALEEQ-UHFFFAOYSA-N	244.320	-0.173	50	10	BBGE	
NNC(=O)COCCN1C[C@@H]2CCCC[C@@H]21	1936529491	LXQNZKYAKBIUSU-UWVGGRQHSA-N	227.308	-0.133	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)C2[C@@H]3COC[C@@H]23)C1	1937202852	JUPIGDBBISLXGU-LURQLKTLSA-N	244.722	-0.084	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1CC(F)(F)C(=O)NN	1939642921	VWQSWLSZAQBGRA-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H](C)OCC[C@H]1C	1944024178	MOFDTYGORSYCLK-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
COCCN(CCC#N)CC1(C(=O)NN)CC1	1945883297	WZYAQZIPDJLRPG-UHFFFAOYSA-N	240.307	-0.381	50	10	BBGE	
COc1c([C@H](N)[C@@H](O)C#N)c(C)nn1C	1952879720	ZDWPCFXJFGQZAY-POYBYMJQSA-N	210.237	-0.379	50	10	BBGE	
C[C@@H](CN=[S@](C)(=O)N(C)C)C(=O)NN	1956457337	CDNSSYSZHVZMHD-MDAAJZPYSA-N	222.314	-0.813	50	10	BBGE	
C[C@H](CS(=O)(=O)C(C)(C)C)NC(=O)NN	1961298788	YWSDHIWPXHSUMC-ZCFIWIBFSA-N	237.325	-0.239	50	10	BBGE	
NC(=O)[C@H]1OCC[C@H]1n1cnnc1CCl	1962116980	HEEOVSTYXPNMOF-VDTYLAMSSA-N	230.655	-0.168	50	10	BBGE	
O=C(N1CC[C@@H](B(O)O)C1)C1(F)CC1	1964510951	SJRUFXDKADPTLM-ZCFIWIBFSA-N	201.006	-0.436	50	10	BBGE	
CCC1(C)CN(c2ncc(B(O)O)cn2)C1	1981410791	DGRNYZFULHGQIC-UHFFFAOYSA-N	221.069	-0.607	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@@H]2CC[C@H]21	1981424021	MSWHOHBATCVIOU-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
CC[C@@H]1CCN(c2ccncc2B(O)O)C1	1981425386	FXTFBIGJKFJOJA-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1[C@@H]2COC[C@@H]21	1982261610	ZTTSMTRSRAWVRW-ILWJIGKKSA-N	227.308	-0.419	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(CCN(C)C)C1	1983327012	HSSOSGQBAMLKLB-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
N=c1nc(CCl)[nH]c(=N[C@H]2CC[C@H](O)C2)[nH]1	1983968249	PCRCYRXGELNKBV-WDSKDSINSA-N	243.698	-0.230	50	10	BBGE	
NNC(=O)C(=O)NCC(F)(F)C1CCCC1	1986796400	YVZPZVBMMYLBHJ-UHFFFAOYSA-N	235.234	-0.082	50	10	BBGE	
O=C(CCl)NC(=O)N1CCn2nncc2C1	1987175705	CFSBIXUFAXIYBG-UHFFFAOYSA-N	243.654	-0.431	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC[C@@H]1CF	1988001894	PCMYUAIOKSRJFS-SSDOTTSWSA-N	228.007	-0.551	50	10	BBGE	
NC[C@]1(O)CCCN(C(=O)/C=C/C(=O)Cl)C1	1991706019	LGCBJKHXAKIYPM-VMZHVLLKSA-N	246.694	-0.380	50	10	BBGE	
CCCN(C(=O)C(=O)NN)[C@@H]1CCCOC1	1991761259	MWBDYKPSDYOJCQ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
C=C(CN1CCn2ncc(Cl)c2C1)B(O)O	1992147079	YWBLKMMSUPZFOW-UHFFFAOYSA-N	241.487	-0.080	50	10	BBGE	
COCCO[C@H]1CCN(CCCC(=O)NN)C1	1996764456	BEXAYWXJEZJRSO-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(O)[C@@H](CB(O)O)NC(=O)[C@@H]1[C@H]2CCC[C@H]21	1998125246	GZBDPJPPZLTRJR-CWKFCGSDSA-N	241.052	-0.925	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)CCCn1cncn1	2003825803	PCEKYKKGHMERNO-SECBINFHSA-N	240.311	-0.632	50	10	BBGE	
CCN(C[C@H](C)C(=O)NN)[C@@H]1CCCNC1=O	2004308757	DSQUBFRGPDDKHY-DTWKUNHWSA-N	242.323	-0.787	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H](CO)C[C@H]1C	2004910326	VHZJIZGKNHKZFA-KXUCPTDWSA-N	245.323	-0.916	50	10	BBGE	
OB(O)c1cnc(N(C2CCC2)C2CC2)nc1	2004915922	FTCSVDOIRVTEQV-UHFFFAOYSA-N	233.080	-0.322	50	10	BBGE	
Cc1ccnc(N2C[C@@H]3C[C@@]3(C)C2)c1B(O)O	2004917937	GYJQGJMZNRQOHF-CABZTGNLSA-N	232.092	-0.084	50	10	BBGE	
Cc1cnc(-n2nc(C)nc2C)c(B(O)O)c1	2004991810	VQMTVJRYKJQMJT-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
CN(C)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC(=O)NN	2006382313	QMPVKZFULWODKV-URLYPYJESA-N	240.351	-0.077	50	10	BBGE	
OB(O)c1cnc2c(OCCF)ccnc2c1	2011738706	FOBYUSZGIUNUSE-UHFFFAOYSA-N	236.011	-0.342	50	10	BBGE	
Cc1c[nH]nc1C(=O)N[C@@H]1CCC=C1B(O)O	2020057886	DGEZZEPWVJMIBP-MRVPVSSYSA-N	235.052	-0.451	50	10	BBGE	
C=C(CN(C)CC1(OC)CCOCC1)B(O)O	2021164534	IWDWNTKJMFPQRH-UHFFFAOYSA-N	243.112	-0.318	50	10	BBGE	
O=C(NCC#CB(O)O)c1c(F)cncc1F	2026193099	OVWRJGTUUBAPEK-UHFFFAOYSA-N	239.974	-0.895	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cnc2c(N)ncnc21	2026923394	ALVWEFRDWOHRTJ-WDSKDSINSA-N	249.278	-0.405	50	10	BBGE	
Cc1ncnc(N(C)C2[C@@H]3CCC[C@@H]23)c1B(O)O	2052555794	FKAFESYRXVTHNW-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CC[C@@H]2C2CC2)n1	2052618719	VNCGQQRKUMVEGY-SNVBAGLBSA-N	247.107	-0.238	50	10	BBGE	
Cc1nc(N2CC[C@]23CCOC3)ccc1B(O)O	2052623561	LAMOUMKUYBKTJZ-GFCCVEGCSA-N	248.091	-0.561	50	10	BBGE	
Cc1ncncc1Cn1nc(C)c(B(O)O)c1C	2058404059	XDLYBBXZQRJYQN-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
Cc1cnc(OCCn2cccn2)c(B(O)O)c1	2064609098	BGZOCVLEHKRQRQ-UHFFFAOYSA-N	247.063	-0.655	50	10	BBGE	
Cc1ncnc(OC[C@@H]2C[C@H]2C2CC2)c1B(O)O	2079937633	YUQHYTDQUDTXPP-UWVGGRQHSA-N	248.091	-0.110	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)nc1	2086995222	QDEXHHPTJJPWEH-NGTNGNHKSA-N	243.071	-0.350	50	10	BBGE	
CN(C)C1CN(Cc2cc(B(O)O)cs2)C1	2211077104	AGRHWHXLKYPACC-UHFFFAOYSA-N	240.137	-0.826	50	10	BBGE	
C[C@H](C#N)CN(C)Cc1cccc(B(O)O)c1	2214592115	BBCBFRAJBKQQTQ-SNVBAGLBSA-N	232.092	-0.042	50	10	BBGE	
CCCN(CC(N)=O)C[C@@H]1CC[C@@H]1C(=O)NN	2215770873	DZXXVTXLBCYPKP-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H](CO)[C@@H](F)C1	2215776733	OPWIOOLAFNKSBG-RGOKHQFPSA-N	245.298	-0.735	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1cc(B(O)O)ccn1)C2	2217171618	CROBLQHIQIKSEE-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2C[C@H]2CF)c1F	2217183918	PBAIDUGCDXWJNS-BQBZGAKWSA-N	242.034	-0.082	50	10	BBGE	
C[C@]1(Oc2ccc(B(O)O)cn2)CC[C@@H](N)C1	2217184006	PMLONZPHCYFJPD-KOLCDFICSA-N	236.080	-0.590	50	10	BBGE	
C=CC[C@H](CN)COc1cc(B(O)O)ccn1	2217191230	RKWPZLXBVKMTAH-SECBINFHSA-N	236.080	-0.709	50	10	BBGE	
CC[C@@H](N)CCCOc1ncc(B(O)O)cn1	2217194166	RMDKNXDKOGKVTQ-SECBINFHSA-N	239.084	-0.947	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CC=CC[C@@H]32)nc1	2217199104	KAFNIKUYXBADSU-WPRPVWTQSA-N	231.064	-0.689	50	10	BBGE	
OB(O)c1cc[nH]c(=NCC[C@H]2CCOC2)c1	2217205036	SEYYQJFOVUBZMX-VIFPVBQESA-N	236.080	-0.978	50	10	BBGE	
C[C@@H]1C[C@H]1CCCN=c1ncc(B(O)O)c[nH]1	2217205325	XIDHODGJLLBAFW-RKDXNWHRSA-N	235.096	-0.574	50	10	BBGE	
OC[C@@H]1[C@H]2CN(Cc3cccc(B(O)O)c3)C[C@H]21	2220071587	KXMPTRNSYMBZOY-ITGUQSILSA-N	247.103	-0.964	50	10	BBGE	
CN(CC1(C)CC=CC1)c1ncc(B(O)O)cn1	2223670306	VXROPXLOJQPAGA-UHFFFAOYSA-N	247.107	-0.051	50	10	BBGE	
C#CCCN(CC(C)C)c1ncc(B(O)O)cn1	2223670882	DTAZNMXNKHKCOK-UHFFFAOYSA-N	247.107	-0.358	50	10	BBGE	
CCN(CC(F)F)C(=O)C#CB(O)O	2241471911	NBHJREJUWKWBGI-UHFFFAOYSA-N	204.969	-0.885	50	10	BBGE	
O=C(NC1[C@H]2CC[C@H]12)c1cscc1B(O)O	2243347262	KCZORTHPJLECAL-WDSKDSINSA-N	237.089	-0.434	50	10	BBGE	
O=C(NCCCCF)c1nscc1B(O)O	2243347548	NNJXUSJQXKTVNQ-UHFFFAOYSA-N	246.072	-0.698	50	10	BBGE	
CC1(NC(=O)c2ncsc2B(O)O)CCC1	2243358103	CBNIJLKQLCZHAU-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)o1	2243362612	UETDBLTYFRECFJ-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
CO[C@H]1CCN(C(=O)C2(B(O)O)CC2)[C@@H]1C	2243363083	ARNCLRJKPRADEA-SFYZADRCSA-N	227.069	-0.371	50	10	BBGE	
CCNCCN(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243373562	RHNZZECBJYPPBJ-DTORHVGOSA-N	228.101	-0.693	50	10	BBGE	
Cc1cc(C(=O)NCCC#N)sc1B(O)O	2243375598	WADZKOZHGSBTOP-UHFFFAOYSA-N	238.077	-0.620	50	10	BBGE	
N[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@H]2B(O)O)C1	2243392947	YJJIPXBHSFKJSS-UYXSQOIJSA-N	226.085	-0.907	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC(F)(F)C1=O	2243404763	UCKMPBJVCNCHHL-WHFBIAKZSA-N	232.979	-0.757	50	10	BBGE	
O=C1CC[C@H](CN2CCC(B(O)O)CC2)N1	2244176520	IAESHWRYHJWSOZ-SECBINFHSA-N	226.085	-0.796	50	10	BBGE	
CN(CC(F)F)C(=O)c1cc(B(O)O)co1	2244219141	GINGVLWGWUIPKD-UHFFFAOYSA-N	232.979	-0.704	50	10	BBGE	
CN(C)NC(=O)N(CC(=O)O)[C@H]1CCOC1	2244887775	WNJCKSWURFCRNR-ZETCQYMHSA-N	231.252	-0.652	50	10	BBGE	
CN(CC(=O)NN)C[C@]12C[C@](C(F)F)(CO1)C2	2247357640	SERKKOMKVPGRRI-MGCOHNPYSA-N	249.261	-0.278	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1ccoc1B(O)O	2247738336	QFYZEKKDGDCSOC-KCJUWKMLSA-N	237.064	-0.122	50	10	BBGE	
NC[C@H](NC(=O)C1(B(O)O)CC1)C1CCCC1	2247751295	VYEKLRUZNALBEF-VIFPVBQESA-N	240.112	-0.373	50	10	BBGE	
CCO[C@@H](CNC(=O)C1(B(O)O)CC1)C1CC1	2247753557	ARNMKHQVUFSQRW-VIFPVBQESA-N	241.096	-0.075	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CCC1)[C@@H]1CCNC1	2247756165	LLAHMSWSQXHVFO-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CCCO1	2247759616	UIRIYIFQUUYSAS-UHFFFAOYSA-N	239.011	-0.717	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC2CCC2)c1	2247762133	ZYTJURJUZCNWAW-UHFFFAOYSA-N	233.076	-0.043	50	10	BBGE	
O=C(Nc1cnoc1)c1ccc(B(O)O)cn1	2247768868	AFHVAVQHNYSZDW-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CCC1(N(C)C(=O)c2n[nH]cc2B(O)O)CC1	2247785864	RMIGTBJZXIVXGZ-UHFFFAOYSA-N	237.068	-0.896	50	10	BBGE	
C[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)N1C	2247801203	YHZPXAAFAJSWAQ-IMSYWVGJSA-N	240.112	-0.552	50	10	BBGE	
C[C@H]1C[C@@H](C)NCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247805310	BDQUTSZOXVLRAN-XFWSIPNHSA-N	240.112	-0.552	50	10	BBGE	
CC(C)n1ccc(=NC(=O)[C@H]2C[C@@H]2B(O)O)[nH]1	2247809785	RIDDKZWXQLICMO-YUMQZZPRSA-N	237.068	-0.313	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2C[C@@H]2[C@@H]1CO	2247810138	VBJHVBNWDPIFAN-LJIZTFJLSA-N	239.080	-0.921	50	10	BBGE	
COc1cccc(F)c1NC(=O)C#CB(O)O	2247846382	FQAOSRNTYWCBIM-UHFFFAOYSA-N	236.995	-0.212	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CC12CC(F)(F)C2	2247848000	FPPPOSOPKWQJII-SSDOTTSWSA-N	243.018	-0.447	50	10	BBGE	
CC(C)(CO)[C@H]1CCCN1C(=O)C#CB(O)O	2247849936	HFYXDNOSQIIWCE-SECBINFHSA-N	239.080	-0.989	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C(=O)[C@@H]1C[C@H]1B(O)O	2247859011	JJWZSRMMMDHCRL-KYXWUPHJSA-N	241.096	-0.267	50	10	BBGE	
C[C@@H]1CC[C@H]1NC(=O)c1ccncc1B(O)O	2247873879	NEPZVAUHHRFRSI-GMSGAONNSA-N	234.064	-0.710	50	10	BBGE	
CNC(=O)C(C)(C)NC(=O)C1(B(O)O)CCC1	2247877841	FGJLULREGHCGPB-UHFFFAOYSA-N	242.084	-0.976	50	10	BBGE	
O=C(NCc1ccnnc1)[C@H]1C[C@H](B(O)O)C1	2247898458	DQVBQTRRKMXDLI-KYZUINATSA-N	235.052	-0.654	50	10	BBGE	
O=C(NCCc1cc[nH]n1)[C@H]1C[C@H](B(O)O)C1	2247899285	MCTMCUZPRVLGNS-ZKCHVHJHSA-N	237.068	-0.679	50	10	BBGE	
C[C@@H](CF)NC(=O)Nc1ccccc1B(O)O	2247972155	PXVOCHDFAHPTJQ-ZETCQYMHSA-N	240.043	-0.154	50	10	BBGE	
O=C(O)[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2248575590	BUQFPEXCQOOTBJ-RQJHMYQMSA-N	241.052	-0.637	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1CCC[C@@H]1C(F)F	2249239114	PPUGYIDOHMRZSZ-JGVFFNPUSA-N	245.034	-0.201	50	10	BBGE	
C=C1CC(CNC(=O)c2cc(B(O)O)co2)C1	2249409578	VWOSAHKMOJUTQY-UHFFFAOYSA-N	235.048	-0.345	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C=C[C@H]1C2	2249410802	ORBQXWMSOAHPLK-CBAPKCEASA-N	233.032	-0.640	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2cncc2C1	2249738244	HIWROWFZKKCLRS-RKDXNWHRSA-N	237.307	-0.287	50	10	BBGE	
COc1ccc(B(O)O)c(N2C[C@H]3C[C@@]3(C)C2)n1	2254696923	OGPFQCPKJPWCND-PELKAZGASA-N	248.091	-0.384	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CC[C@H]1C	2255504624	SKKBHBZQCTWDRS-MRVPVSSYSA-N	249.075	-0.391	50	10	BBGE	
Cc1cnc(C(=O)N2CCC[C@H]2C)c(B(O)O)c1	2255556640	SDQUGQPKHHDBCU-SECBINFHSA-N	248.091	-0.306	50	10	BBGE	
Cn1ncc2c1CN(C(=O)C1CC(B(O)O)C1)C2	2255569533	XATWZYAWNIIDFN-UHFFFAOYSA-N	249.079	-0.485	50	10	BBGE	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2B(O)O)cc1	2255569950	AWDQKTAXUCDYNL-MNOVXSKESA-N	248.091	-0.210	50	10	BBGE	
C#C[C@@H]1CCN(C(=O)c2cc(C)c(B(O)O)o2)C1	2255582156	ULENVJOQEIANLY-SECBINFHSA-N	247.059	-0.637	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@H]2CC[C@@H]21	2255669850	STTGEQQBWUAACQ-IUCAKERBSA-N	249.075	-0.026	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1CC2(CC2)C1	2255681137	PRCYTIIKTUMLEN-UHFFFAOYSA-N	248.091	-0.291	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@H]2C[C@H]2C1	2255725126	KVXCORSUTUUJBQ-IUCAKERBSA-N	246.075	-0.757	50	10	BBGE	
C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)OC1	2298369313	QHBIXKPNOPLCDV-RGOKHQFPSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1C[C@H]1B(O)O	2298371335	IMSQTJMPDXVAMG-ZYUZMQFOSA-N	241.096	-0.341	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298375648	UFAFTTDMFHIODS-VFCFLDTKSA-N	238.096	-0.813	50	10	BBGE	
C[C@]12CCO[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376218	NJBGGXHVCFBDQL-LSQHKTNHSA-N	239.080	-0.467	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)[C@H]1C[C@H]1C(=O)O	2298463364	ZOXRUYSQNIHLST-SLBCVNJHSA-N	241.052	-0.925	50	10	BBGE	
COC[C@@H](OC[C@]1(C)CCCN1C)C(=O)NN	2300070294	UNGNLUVMIPYHGH-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC[C@H]2COCCO2)C1	2303158354	LVJKWNSKGHOEQT-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
CCOC1CN(c2cc(B(O)O)c(F)cn2)C1	2303834129	AGNLWQMLSNYDQN-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
C[C@@H](CC(=O)NN)n1nnc2ccccc2c1=O	2308072601	OHMZXSURMZRFPE-ZETCQYMHSA-N	247.258	-0.268	50	10	BBGE	
C[C@H]1C[C@H](C)C1NC(=O)c1ncccc1B(O)O	2316957583	ZKXAQIKUVOSRAZ-YUMQZZPRSA-N	248.091	-0.464	50	10	BBGE	
CO[C@@H]1CC[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317161607	DWUADWBRCPTPBB-NWDGAFQWSA-N	246.075	-0.173	50	10	BBGE	
CC[C@H](COc1ccc(B(O)O)cc1C#N)NC	2317206242	MMZZWHZFCWUYCT-LLVKDONJSA-N	248.091	-0.385	50	10	BBGE	
N#CC(=CNC1CC1)C(=O)NCCC(=O)O	2318454335	QOPBHNQBXTWBBX-UHFFFAOYSA-N	223.232	-0.263	50	10	BBGE	
Cc1cnc(OCC2[C@H]3COC[C@H]23)cc1B(O)O	2318839106	ISBZUJOTGCYEKS-IUCAKERBSA-N	249.075	-0.659	50	10	BBGE	
CC(=O)NCCNC(=O)NC(=O)CCl	36746642	UQVXMSQLALIHPO-UHFFFAOYSA-N	221.644	-0.813	50	10	BBGE	
CC(=O)NNC(=O)CNC(=O)c1ccsc1	57292267	KLRPKHXWLQHVAO-UHFFFAOYSA-N	241.272	-0.355	50	10	BBGE	
C=CCCC(=O)NNC(=O)[C@@H]1COCCO1	73984484	STGDRLMEZNHBBB-QMMMGPOBSA-N	228.248	-0.485	50	10	BBGE	
Cc1n[nH]c(SC[C@H](C)C(=O)NN)n1	82473190	PNYDKUOZRYCJBW-BYPYZUCNSA-N	215.282	-0.169	50	10	BBGE	
N#Cc1nccn1C[C@@H]1CC[C@H](C(=O)NN)O1	94940824	MUQGEECCUPZEPL-JGVFFNPUSA-N	235.247	-0.708	50	10	BBGE	
CS[C@H](C)C(=O)NNC(=O)c1c[nH]nn1	104647210	GMUKXBNNXOXNMU-SCSAIBSYSA-N	229.265	-0.683	50	10	BBGE	
COCCOCCO[C@@H](C)C(=O)NN	125981602	NLKODTYGNFSUOY-ZETCQYMHSA-N	206.242	-0.956	50	10	BBGE	
CC(C)C[C@H](NC(=O)CN(C)C)B(O)O	195310873	KLVFYKRJWCNHMD-QMMMGPOBSA-N	216.090	-0.909	50	10	BBGE	
N[C@@]1(C(=O)O)CCC[C@H]1CCCB(O)O	200584665	HBEGNHDSKKYWSU-CBAPKCEASA-N	215.058	-0.178	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CCOC1	211913433	DZKVHCBONCKFTO-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)CCCCNC(=O)NC(=O)CCl	230091197	BWEKSILSVRTZNN-UHFFFAOYSA-N	235.671	-0.293	50	10	BBGE	
CO[C@H]1CCCN(CCCC(=O)NN)C1	230357591	IFCCREIUQCLHSR-VIFPVBQESA-N	215.297	-0.133	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NCc1ncn(C)n1	235469682	DUNNEBQCVDIGDJ-YFKPBYRVSA-N	245.670	-0.232	50	10	BBGE	
O=S1(=O)CCCN(C[C@H](O)CCl)CC1	236551820	NBTOQAXXGWISBB-MRVPVSSYSA-N	241.740	-0.293	50	10	BBGE	
CNc1ncc(B(O)O)cc1C(F)(F)F	238353704	KBNVCIOUIYHOJN-UHFFFAOYSA-N	219.959	-0.178	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H]1CCCN1C	252583382	XRSQSLGGBFITDL-VHSXEESVSA-N	228.340	-0.219	50	10	BBGE	
CN(N=C1CCS(=O)CC1)C(N)=O	306525641	QRSGOZPAWFCRKO-UHFFFAOYSA-N	203.267	-0.105	50	10	BBGE	
O[C@@H]1[C@@H](Br)[C@@H]2O[C@@H]2[C@@H]2O[C@H]12	306577870	LVCQLWWLDHWMCB-QZPFOTCNSA-N	207.023	-0.341	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCC[C@@](O)(C(N)=O)C1	306948250	SETRIXVLWMZLSF-MUWHJKNJSA-N	234.683	-0.548	50	10	BBGE	
CC[C@@H](C)N(CCO)CCCC(=O)NN	308841534	YISMGDVSQKHJOT-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
CNC(=O)C[C@H](C)NS(=O)(=O)CCl	322933922	OBIPNEJWPHQNBE-YFKPBYRVSA-N	228.701	-0.373	50	10	BBGE	
CCN(CCOCCO)[C@H](C)[C@@H](C)C(=O)NN	383097396	YYJRMKRTLISPCI-NXEZZACHSA-N	247.339	-0.668	50	10	BBGE	
CC(C)C1(O)CN(CCCCC(=O)NN)C1	383952276	CKZALELTFNJXSW-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1ccnc(OCCN2CCCC2)c1	385488713	COITZJBPNDHYJV-UHFFFAOYSA-N	236.080	-0.764	50	10	BBGE	
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC(=O)CCl	392869546	JOYHKTXNCJYYDG-WDSKDSINSA-N	247.682	-0.282	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CCOC[C@@H](O)C1	399884396	GBLYUVRALGZRQB-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cc[nH]n1	404946010	OFKFNEHFYUIVRD-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)c1cccc(B(O)O)c1	584940560	WBYRLSUNNRBFNQ-XCBNKYQSSA-N	219.049	-0.495	50	10	BBGE	
OB(O)c1ccccc1CN[C@@H]1CCCOC1	585037734	INTWWLKIDOSIIW-LLVKDONJSA-N	235.092	-0.365	50	10	BBGE	
C=CC[C@H](CO)NCc1ccc(B(O)O)cc1	585038683	DAQYALQOQCTWKC-GFCCVEGCSA-N	235.092	-0.607	50	10	BBGE	
NC(=S)NNC(=O)c1cccc(F)n1	606283745	OXJOFKPZIOFDHT-UHFFFAOYSA-N	214.225	-0.301	50	10	BBGE	
CO[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692084560	JCNYGBIRAVLIMQ-DTWKUNHWSA-N	224.260	-0.102	50	10	BBGE	
O=C(OCCl)N1CC[C@@H](O)[C@@H](CO)C1	692809945	UEYJVHXIVDPZMH-RNFRBKRXSA-N	223.656	-0.006	50	10	BBGE	
C[C@H](CN1CC[C@H](N(C)C)[C@H](C)C1)C(=O)NN	693632558	YEQFYXBGJMJVPO-MXWKQRLJSA-N	242.367	-0.116	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](O)[C@H](C)C1	695087625	PTMBJBSEVKCILT-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
Cc1ccc(B(O)O)c(O[C@@H]2CCOC2)c1	699672757	VEZZVIXADAWBCU-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
Cc1cncc(Cn2ccc(B(O)O)n2)c1	703707191	HYARPJQLTFVMAS-UHFFFAOYSA-N	217.037	-0.685	50	10	BBGE	
C[C@@H](Cl)C(=O)N(C)Cc1nn[nH]n1	706797504	SPQMFTWOOMFKJM-SCSAIBSYSA-N	203.633	-0.215	50	10	BBGE	
Cc1cc(B(O)O)ccc1NC(=O)c1cnc[nH]1	709746876	AQWIDVMTNLRXMF-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@H](C(N)=O)C1	710092649	GDQSKIJKJZLCLC-BDAKNGLRSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H](C(=O)NNC(N)=O)[C@H]1CCCCO1	711913092	MHJLFEVVGLFOJH-RNFRBKRXSA-N	215.253	-0.109	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1[C@H](C(=O)O)C1(F)F	715372458	BFFRXRCAJKDYGM-CRCLSJGQSA-N	237.206	-0.272	50	10	BBGE	
CN1[C@H]2CC[C@H]1CN(CC(C)(C)C(=O)NN)C2	723697781	RWQPCBQLEJXKDG-UWVGGRQHSA-N	240.351	-0.219	50	10	BBGE	
C[C@H]1C[C@@H](C)CC(=O)N(CC(=O)NN)C1	723783106	POPSGOXARKZKQX-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
CC1(C)COCC1=NNC(=O)C(=O)NC1CC1	834933934	PZPUMOHXWQTGTA-UHFFFAOYSA-N	239.275	-0.206	50	10	BBGE	
CC1(C)COCC1=NNC(=O)[C@H]1COCCO1	834960477	QQVYJHNLDCUSCD-MRVPVSSYSA-N	242.275	-0.070	50	10	BBGE	
CC(=NNC(=O)c1cn(C)nn1)c1ccn(C)n1	853382615	GZBMGXLWPXBSPA-UHFFFAOYSA-N	247.262	-0.297	50	10	BBGE	
CCOC(=O)NNC(=O)c1cccn(C)c1=O	1115999419	GRMQSYOCNYOZDE-UHFFFAOYSA-N	239.231	-0.224	50	10	BBGE	
O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CC[C@H](B(O)O)C1	1261844093	BIYVFCWMCIUBQA-SGIHWFKDSA-N	239.080	-0.371	50	10	BBGE	
CC(C)NC(=S)NNC(=O)[C@@H](O)C(C)(C)O	1333995346	UXVNYZJUXNPYTJ-ZCFIWIBFSA-N	249.336	-0.978	50	10	BBGE	
O=C([C@@H]1CC12CC2)N1CC[C@@H](B(O)O)C1	1351729891	QANYLPWJAQPPCQ-SFYZADRCSA-N	209.054	-0.138	50	10	BBGE	
Cc1nnc(NNC(=O)c2cnn(C)c2)nc1O	1472479593	AKWBTXBFLJGSKB-UHFFFAOYSA-N	249.234	-0.624	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1	1624971563	AAUFNWORLBWIAW-RKDXNWHRSA-N	237.259	-0.280	50	10	BBGE	
O=C(NNc1ccnc(F)c1)[C@@]1(O)CCOC1	1633811085	NXCVZLZNTNMWKA-SNVBAGLBSA-N	241.222	-0.185	50	10	BBGE	
NC(=O)CNC(=O)[C@@H]1C[C@H]1Br	1877333631	CXLOMTTZITWUGR-QWWZWVQMSA-N	221.054	-0.629	50	10	BBGE	
O=C(CCBr)NCC[C@H](O)CO	1880869704	ZQZHSKZSSVJWHD-LURJTMIESA-N	240.097	-0.369	50	10	BBGE	
C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)CCl	1880875770	CKGOGJBAEGRZNU-KVQBGUIXSA-N	213.686	-0.129	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@H]2Cl)C(=O)CN1	1883552657	NSNBEDHAOGXCLR-NTSWFWBYSA-N	202.641	-0.428	50	10	BBGE	
NC(=O)C1(N)CN(C[C@H]2C[C@H]2Cl)C1	1883563376	KIVWJAZECAWXKA-PHDIDXHHSA-N	203.673	-0.888	50	10	BBGE	
NC(=O)C1(O)CN(C[C@H]2C[C@H]2Br)C1	1883583689	NDJDCQYVZHSJGB-PHDIDXHHSA-N	249.108	-0.698	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)C1COC1	1884428373	GPADUSLFZFMHSW-MRVPVSSYSA-N	220.700	-0.082	50	10	BBGE	
C[C@H](Cl)CC(=O)N1C[C@H](O)C[C@@H](O)C1	1886138737	PSVNTVSFVCTIIV-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H](CCl)C(=O)N1C[C@H](O)C[C@H]1CO	1886211245	CMPQLZIUWCHNTR-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CC2(CNC2)C1	1893418052	VSHOPRUQLNCNEE-UHFFFAOYSA-N	214.652	-0.260	50	10	BBGE	
O=C(NC1(CO)CC(O)C1)[C@H]1C[C@H]1Cl	1893471166	ZOLGWPIPASMODE-ANOPUHLUSA-N	219.668	-0.384	50	10	BBGE	
C[C@H](O)[C@H](N)CNC(=O)C1CC(Cl)C1	1893482692	YGKCAWPUGNPCOZ-FACXLHOTSA-N	220.700	-0.172	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1[C@H](C)CC(=O)NN	1893845820	OQWOSRLGXGQNCR-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
O=C(Cn1cnnn1)N1C[C@@H]2C[C@]2(CCl)C1	1894672402	DIADUWNEOYURFP-CBAPKCEASA-N	241.682	-0.240	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CO[C@H]1COCC1(F)F	1897198345	GWNHATQIIRZRDA-XVMARJQXSA-N	236.218	-0.337	50	10	BBGE	
C[C@H](C(=O)NN)N1Cc2ncsc2C1	1900860919	XPQXTEGMVZVYFF-RXMQYKEDSA-N	212.278	-0.163	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1CCCCN1	1901368014	FOTKBDVDRLNZMU-QMMMGPOBSA-N	249.336	-0.559	50	10	BBGE	
C[C@@H]1CN([C@H](C)CCCC(=O)NN)C[C@@H]1O	1901765088	UOQKFDOJKURYLM-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCCC(=O)NN)n1cnc(C#N)n1	1901774194	KXCKYRFJQAFYDW-ZETCQYMHSA-N	222.252	-0.129	50	10	BBGE	
CC[C@](C)(CN(C)CC1(O)CC1)C(=O)NN	1902708221	VOXDQKANTVVVDJ-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@]1(C)CCO	1904864853	HAXBHINSVIJDBR-APPZFPTMSA-N	201.270	-0.788	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@@H]1CO	1909056277	NORMRRRBXNFZFI-RKDXNWHRSA-N	213.281	-0.622	50	10	BBGE	
CN(C[C@@H]1C[C@H]1CF)c1ccc(B(O)O)cn1	1909554261	GYWNXVCEWZUEJD-IUCAKERBSA-N	238.071	-0.197	50	10	BBGE	
C=C(CN(C)C1C[C@@H](OC)[C@H](OC)C1)B(O)O	1910317054	MIIGQIBFLQAPCZ-GHMZBOCLSA-N	243.112	-0.321	50	10	BBGE	
CCCS(=O)(=O)N(C)C[C@@H]1C[C@@H]1C(=O)NN	1913476475	SPJKXDXIIQHISV-YUMQZZPRSA-N	249.336	-0.716	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)NC1CCC1	1913667037	CVMSRBMOZJHLBU-UHFFFAOYSA-N	235.052	-0.565	50	10	BBGE	
CCN(CC1(C(=O)NN)CC1)S(=O)(=O)CC	1913825437	HYZDECFSXWRBRN-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
N[C@]1(B(O)O)CCOC[C@@H]1C(F)(F)F	1916590766	TYABPQZHBPBZRJ-CRCLSJGQSA-N	212.964	-0.705	50	10	BBGE	
CC(C)CCN(CCO)C[C@H]1C[C@@H]1C(=O)NN	1924521184	SKGNXSMAKRCWKB-MNOVXSKESA-N	243.351	-0.047	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](F)C1	1927867086	QIRKJVWFFWPYIR-PRJMDXOYSA-N	219.260	-0.840	50	10	BBGE	
C[C@@H](CO)CN(C)C[C@@H]1C[C@H]1C(=O)NN	1927916819	RQQAKDDEZOUQKM-HRDYMLBCSA-N	215.297	-0.827	50	10	BBGE	
O=C(NNCCO)c1cc(Cl)ncn1	1929832583	VGKATIOGAUYIAM-UHFFFAOYSA-N	216.628	-0.643	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H](F)C1	1930649521	LJOFRPIKKWVZDI-RITPCOANSA-N	203.217	-0.769	50	10	BBGE	
CC(C)[C@@]1(O)CCN(CC(=O)NN)C1	1930889484	GWWMPMGTIOJERT-SECBINFHSA-N	201.270	-0.931	50	10	BBGE	
Cc1nnc(CCCNC(=O)NN)s1	1931538692	UDVSHKPFBZWVEM-UHFFFAOYSA-N	215.282	-0.048	50	10	BBGE	
NC(=O)[C@@H](NC(=O)NC(=O)CCl)C1CC1	1932386150	DFUTZYPJROYIKQ-LURJTMIESA-N	233.655	-0.685	50	10	BBGE	
C[C@H]1C[C@H](CO)CN1CCC(=O)NN	1934981148	NPTJEOUIGUHQPX-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)c1cncc(Cn2ccnn2)c1	1935732896	LDZLSENTBKBUHK-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)[C@@H]1CO	1935932685	SFWFJBLGHIEQCJ-RNFRBKRXSA-N	237.250	-0.686	50	10	BBGE	
C[C@@H]1CN(C[C@H]2C[C@@H]2C(=O)NN)C[C@H]1CO	1936078544	BHIAOHDJCVOROS-IMSYWVGJSA-N	227.308	-0.827	50	10	BBGE	
OB(O)c1ccn(CCCOC2CCC2)n1	1936334852	SIULWLQTXVIHNA-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)[C@H](C)C(=O)O	1936380569	FXIUPSODQIFWJA-NTSWFWBYSA-N	248.304	-0.004	50	10	BBGE	
CC[C@@H]1COCCN(C[C@H](C)C(=O)NN)C1	1939306568	GSNREPALCXMDJN-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
NNC(=O)C1(CN2CCN(C3CC3)C2=O)CC1	1945891817	ITDRWQAONAVJBM-UHFFFAOYSA-N	238.291	-0.344	50	10	BBGE	
COC[C@]1(OC)CCCN([C@@H](C)C(=O)NN)C1	1946476186	XCHPYQGXRSUGDR-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@]12CC[C@H]1C2	1951281628	YSERPKCIFDMERL-WRWORJQWSA-N	232.048	-0.500	50	10	BBGE	
O[C@@H]1C=CCN(C[C@@H](O)CBr)C1	1953618143	OJYJFHMBHPSMRE-SFYZADRCSA-N	236.109	-0.025	50	10	BBGE	
CN(CC(=O)NN)C1CCC(O)CC1	1955472148	CNLLSGMOQVAQQJ-UHFFFAOYSA-N	201.270	-0.788	50	10	BBGE	
CC[C@@H](Cl)C(=O)NC[C@@H](C)S(N)(=O)=O	1955559342	PRMQLAZUIKZCRT-PHDIDXHHSA-N	242.728	-0.203	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(F)C[C@@H]1CO	1958321432	JRDIJBGAHPRHJF-PHDIDXHHSA-N	223.223	-0.933	50	10	BBGE	
C[C@H]1C[C@H](CN(C)CC(=O)NN)CCO1	1959102584	IIZDUSMZJZBIJE-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](O)CN(CC)CCCC(=O)NN	1959510992	KNAXQAOXODIUEY-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
NNC(=O)N1CCC2(CC1)C[C@@H](O)CO2	1961856896	PXPVCFPWTQMKIR-SSDOTTSWSA-N	215.253	-0.815	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)[C@@H]1C2	1961927284	UBZKPKFSVCHIIT-BGKGJTHRSA-N	233.695	-0.044	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1CCCC[C@@H]1F	1962628322	BISSXKXMVNAEAB-NKWVEPMBSA-N	217.244	-0.285	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[C@H]1CO	1978944608	MCCNPGUUFOFPGM-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C1CCC(CO)CC1	1981030238	KCEKJDUDTLBMRG-IDKOKCKLSA-N	229.324	-0.152	50	10	BBGE	
OB(O)c1cnc(S[C@@H]2CCOC2)c(F)c1	1981451349	VJPOOFXYTNKUNL-SSDOTTSWSA-N	243.068	-0.219	50	10	BBGE	
CO[C@H]1CCN(c2nc(B(O)O)cs2)[C@@H]1C	1981473436	YVNHMUHDPKVWOA-RQJHMYQMSA-N	242.109	-0.564	50	10	BBGE	
C[C@@H]1CC[C@@H](Cn2ccc(B(O)O)n2)OC1	1981581908	JMWXZYYJQQJTLH-BDAKNGLRSA-N	224.069	-0.622	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC2(CC(O)C2)C1	1981991588	AVUOSVCEILWVNM-YUCVTWSNSA-N	227.308	-0.398	50	10	BBGE	
N#C[C@H](Cl)CN1CC(n2cc(CN)nn2)C1	1982247724	LKPLKFJBUHNNPR-ZETCQYMHSA-N	240.698	-0.276	50	10	BBGE	
N#Cc1cncc(OC(F)(F)C(=O)NN)c1	1983321970	BQMMVSFCAOSXDO-UHFFFAOYSA-N	228.158	-0.085	50	10	BBGE	
COC[C@H](OCC[C@H](C)N(C)C)C(=O)NN	1983693126	DNJSVYOQDWGQJB-IUCAKERBSA-N	233.312	-0.652	50	10	BBGE	
C[C@@H](CN(C)CCCCN(C)C)C(=O)NN	1983937062	WEWPTOGNJVNKIC-JTQLQIEISA-N	230.356	-0.114	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	1987341852	USVZEUDBBSTKBS-RKDXNWHRSA-N	227.308	-0.398	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N(C[C@H](C)C(=O)NN)C1	1988722772	HHLICWBBNTVPLR-XHNCKOQMSA-N	233.287	-0.329	50	10	BBGE	
CN1C[C@@H](CNC(=O)C=CC(=O)Cl)CC1=O	1991653122	VXKCETZXLGSJSS-SSDOTTSWSA-N	244.678	-0.098	50	10	BBGE	
COc1c(F)cccc1NC(=O)C(=O)NN	1991947292	HVUBRQBEUHYWAZ-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@H](O)C1(C)C	1993463297	CYTCPTHIIWQUMH-JGVFFNPUSA-N	229.324	-0.154	50	10	BBGE	
C[C@@H](Cc1ccncc1)N(C)CC(=O)NN	1994074978	UXGPAQVBTSFAJH-VIFPVBQESA-N	222.292	-0.066	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]2CC[C@H]1C2	2004914350	NWRHEJHOKAZSIU-BDAKNGLRSA-N	233.080	-0.465	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H](CF)C1	2004921272	UCUPDWHDVLDQBX-QMMMGPOBSA-N	239.059	-0.658	50	10	BBGE	
Cc1ncnc(N(C)[C@H]2CC2(C)C)c1B(O)O	2004974635	NGADFYUEBJVLIT-QMMMGPOBSA-N	235.096	-0.300	50	10	BBGE	
C[C@H](O)[C@@H]1CN([C@@H](C)[C@@H](C)C(=O)NN)CCO1	2005913044	NYJMAUPXYBXESS-KATARQTJSA-N	245.323	-0.918	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)Cc1cc(C)n(C)n1	2011840767	UVZGYHPHWISKJA-JTQLQIEISA-N	239.323	-0.071	50	10	BBGE	
CC(C)c1nccn1-c1ncc(B(O)O)cn1	2013222003	ICKNECVLDHYPCJ-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC(F)CC1	2014917522	KGBGLSLVOAJEQH-UHFFFAOYSA-N	242.034	-0.161	50	10	BBGE	
CCN(CC)CC(=O)N[C@H]1CCC=C1B(O)O	2020058042	WWSIXONEGANULV-JTQLQIEISA-N	240.112	-0.455	50	10	BBGE	
O=C(NCC#CB(O)O)[C@H]1C[C@@H]2CCC[C@@H]2C1	2021115759	RLBLOSIUYIOHIM-JGPRNRPPSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1CCOCCN1Cc1ccc(B(O)O)cc1	2031610376	OOLMGBTYUZZZDF-LLVKDONJSA-N	249.119	-0.023	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@]12CCC[C@H]1C2	2040766522	FRXPVVRTEVGIQU-CPCISQLKSA-N	247.063	-0.715	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)C1C[C@@H]2C[C@H]2C1	2040767399	QZNBWLGZXXYDEE-YUMQZZPRSA-N	246.075	-0.254	50	10	BBGE	
Cc1ccnc(N(C)Cc2cocn2)c1B(O)O	2052471608	GEBHMHJZPUXBSI-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2COC[C@H]2C1	2052490352	BMBXXIGREQXTMP-VHSXEESVSA-N	248.091	-0.766	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)C[C@H]1N(C)C	2052498787	JSWITHTVYSFIPI-BXKDBHETSA-N	249.123	-0.852	50	10	BBGE	
CCOc1ccc(OC)c(C#N)c1B(O)O	2060204762	IXCRAUGOCSPFJI-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CN1CCC(OCc2ccccc2B(O)O)CC1	2077329494	OHKABOAYEQYLOG-UHFFFAOYSA-N	249.119	-0.023	50	10	BBGE	
OB(O)c1ccc(COCC2[C@@H]3COC[C@@H]23)cc1	2080347336	RRPRBHYGGBMYSC-STQMWFEESA-N	248.087	-0.225	50	10	BBGE	
O=S(=O)(CCl)NCCc1c[nH]nc1O	2210067813	GCAYGQAVYDLFLM-UHFFFAOYSA-N	239.684	-0.227	50	10	BBGE	
CO[C@@H]1CCN(CC2(C(=O)NN)CCC2)C1	2212263917	YMZQUNPBAIEWMZ-SECBINFHSA-N	227.308	-0.133	50	10	BBGE	
OB(O)c1cncnc1O[C@@H]1C[C@@H]2C[C@@H]2C1	2212290639	ZNDUWXGEWUTIPS-JIGDXULJSA-N	220.037	-0.666	50	10	BBGE	
CCC[C@@H]1C[C@@H]1Nc1ncc(B(O)O)cn1	2212611977	GFGUJCBPQOXMJJ-APPZFPTMSA-N	221.069	-0.243	50	10	BBGE	
OB(O)c1cnc(N[C@H]2[C@H]3CCC[C@H]32)nc1	2212615881	WDJZIOPIVAUPSS-AYMMMOKOSA-N	219.053	-0.633	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)CC1(C)COC1	2215771731	JPXUQAGANIRIOZ-NXEZZACHSA-N	241.335	-0.029	50	10	BBGE	
CCC[C@@H](CCN)Oc1ncccc1B(O)O	2217172138	IQOAJWMCBMEMKO-VIFPVBQESA-N	238.096	-0.342	50	10	BBGE	
CCn1cc(Nc2ccc(B(O)O)cn2)cn1	2217179636	AGJRUWMWRDPSBP-UHFFFAOYSA-N	232.052	-0.279	50	10	BBGE	
CC(C)[C@H](CCO)Nc1cc(B(O)O)ccn1	2217197416	MGEKWHISWIFVPH-JTQLQIEISA-N	238.096	-0.420	50	10	BBGE	
CC[C@@H]1C[C@H]1CCN=c1ncc(B(O)O)c[nH]1	2217199819	PEQCIQHBBZWMSN-RKDXNWHRSA-N	235.096	-0.574	50	10	BBGE	
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CC[C@H]1O	2220059913	TZQUELAEBRKEMS-ZWNOBZJWSA-N	249.119	-0.431	50	10	BBGE	
Cc1cnc(-n2cc([N+](=O)[O-])cn2)cc1B(O)O	2223614059	QCDBGZVPYKWDMX-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
C[C@H](Nc1ccc(B(O)O)cn1)c1cn(C)cn1	2223629262	TXYYFCLIXDHEDW-QMMMGPOBSA-N	246.079	-0.332	50	10	BBGE	
Cc1cc(CNc2cc(B(O)O)c(C)cn2)no1	2223643744	ZSPYXYFPDJAWOR-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cnc(N2C[C@H](O)C3(CC3)C2)cc1B(O)O	2223647889	DTLUEZZZHXQXBS-JTQLQIEISA-N	248.091	-0.969	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H](N)C2(C)C)cc1B(O)O	2223653921	VVTZBRYDXAUHBI-NXEZZACHSA-N	249.123	-0.392	50	10	BBGE	
C#CC[C@H]1CCCCN1c1ncc(B(O)O)cn1	2223676835	GNCCQRHLRIGJFV-NSHDSACASA-N	245.091	-0.461	50	10	BBGE	
O=S(=O)(N[C@H]1C[C@H](Cl)C1)C1CNC1	2241663930	KSAYRAOMCBUFBP-IZLXSQMJSA-N	224.713	-0.353	50	10	BBGE	
C[C@@H](CCN(C)C)N(C)CC(=O)NN	2242146645	VLUPVMSMMPIUQY-QMMMGPOBSA-N	202.302	-0.752	50	10	BBGE	
O=C(C#CB(O)O)N[C@@]12CCC[C@H]1CSC2	2243349747	PYOKCBTZDYWHIZ-WCBMZHEXSA-N	239.105	-0.596	50	10	BBGE	
Cc1cccc(CNC(=O)C#CB(O)O)c1	2243356054	ASSVPZAXMODVNS-UHFFFAOYSA-N	217.033	-0.373	50	10	BBGE	
CS[C@H](CO)[C@@H](C)NC(=O)C1(B(O)O)CC1	2243365342	LEYASKONCKPVSO-RNFRBKRXSA-N	247.125	-0.778	50	10	BBGE	
CO[C@@H]1C=C[C@H](NC(=O)C2(B(O)O)CC2)C1	2243368392	HUOJSXXNCRXBJW-JGVFFNPUSA-N	225.053	-0.547	50	10	BBGE	
N[C@H]1C[C@H](CNC(=O)C2CC(B(O)O)C2)C1	2243395837	CMYLZLMGTRDLAL-SMIAOZBLSA-N	226.085	-0.907	50	10	BBGE	
C[C@@H](O)CCN(C)C(=O)C1CC(B(O)O)C1	2243396788	QSRIZVHNPVIOLU-AFPNSQJFSA-N	229.085	-0.531	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)c1nccn1C	2243397370	ZVYFKHXPRYAQPN-BQBZGAKWSA-N	223.041	-0.754	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1coc(B(O)O)c1	2243409693	NAIWBWDRIOJIAM-SSDOTTSWSA-N	223.037	-0.512	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NC(C)C)c1	2243409753	ODRHOTJPSZGSOL-UHFFFAOYSA-N	221.065	-0.187	50	10	BBGE	
CC1(C)COCN1C(=O)C1(B(O)O)CCC1	2243411345	RTOKKXKZGTXKRV-UHFFFAOYSA-N	227.069	-0.022	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cc(B(O)O)cs1	2243420278	PSZHEDVCNMPPHA-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)co2)[C@@H]1C	2244205112	GATAVUBZYSVBHG-NKWVEPMBSA-N	223.037	-0.560	50	10	BBGE	
NNC(=O)NC[C@@]12CCCC[C@H]1CC(=O)N2	2244391912	UEAMLDXHLIDWFA-XVKPBYJWSA-N	226.280	-0.392	50	10	BBGE	
CC[C@@H](COC)C(=O)NCCC#CB(O)O	2244556041	VTSXGHYYEFRTTQ-VIFPVBQESA-N	227.069	-0.819	50	10	BBGE	
Cc1cnc(OC2(C)COC2)cc1B(O)O	2245004190	LMTWIAOODQVVMQ-UHFFFAOYSA-N	223.037	-0.762	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H]1C1CC1	2247733056	LPKVPBQAKLXAIV-VIFPVBQESA-N	235.048	-0.416	50	10	BBGE	
CN(C)[C@@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247733926	DZBZQPFSUFNFSI-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCC=C(F)C1	2247735361	MAGASEKGIMRFLS-UHFFFAOYSA-N	239.011	-0.341	50	10	BBGE	
CCO[C@@H]1C[C@H](NC(=O)C#CB(O)O)C1(C)C	2247743355	CHVGZJFHJPFMJM-DTWKUNHWSA-N	239.080	-0.678	50	10	BBGE	
C[C@H]1CCC[C@]1(O)CNC(=O)C1(B(O)O)CC1	2247754927	NXZWEFBDXJHBRY-KWQFWETISA-N	241.096	-0.339	50	10	BBGE	
CC1(CNC(=O)C2(B(O)O)CC2)CCNCC1	2247852988	DKQVZHIOLWSQJT-UHFFFAOYSA-N	240.112	-0.501	50	10	BBGE	
CC[C@]1(C)CN(C(=O)[C@H]2C[C@H]2B(O)O)CCO1	2247858424	DXEPWUMQYALCMD-IQJOONFLSA-N	241.096	-0.123	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@@H]1C	2247858661	GTZHCHGNZRDYEJ-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
CN(C)C1(CNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247860596	YWAASXDWTQYUJR-KYZUINATSA-N	240.112	-0.550	50	10	BBGE	
COCCNC(=O)c1c(C)cccc1B(O)O	2247874654	ODWFDKIBTKHLJH-UHFFFAOYSA-N	237.064	-0.949	50	10	BBGE	
C[C@@]1(N)CCCN(C(=O)C2(B(O)O)CCC2)C1	2247878052	HDSHHIWRYIHNLB-SNVBAGLBSA-N	240.112	-0.277	50	10	BBGE	
C[C@@](CN)(NC(=O)C1(B(O)O)CCC1)C1CC1	2247879328	SRDLCSCPEOVIJJ-JTQLQIEISA-N	240.112	-0.373	50	10	BBGE	
N[C@@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247895616	UMMRFWYTWDAZOG-ZYUZMQFOSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)c1cnn(C)c1	2247896264	FWHOAWFAPCCVOH-BWVDBABLSA-N	237.068	-0.540	50	10	BBGE	
C=CC[C@H](NC(=O)C1(B(O)O)CCC1)C(=O)O	2248574667	UGFINTXYHFAJRY-ZETCQYMHSA-N	241.052	-0.471	50	10	BBGE	
CC(C)(F)[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248579923	UCPOSKAOKJYQDH-NGJCXOISSA-N	247.031	-0.833	50	10	BBGE	
CC(C)(CCNC(=O)C1(B(O)O)CC1)C(=O)O	2248589980	XLVJIRPXWURYLI-UHFFFAOYSA-N	243.068	-0.390	50	10	BBGE	
C[C@@H](C=CC(=O)O)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2248594771	YZDCFGVKQDXDKI-BIIVOSGPSA-N	241.052	-0.615	50	10	BBGE	
COC[C@@]1(C)C=CCN1CC(=O)NNC(C)=O	2248747480	YKJYBVZIKKULRA-LLVKDONJSA-N	241.291	-0.569	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N(C)CCF	2248970668	YBBWKYFZRRGCHW-UHFFFAOYSA-N	240.043	-0.889	50	10	BBGE	
OC[C@H]1CO[C@H](CN2CCC(B(O)O)CC2)C1	2249343598	RGXBRMJLXGXWLH-ONGXEEELSA-N	243.112	-0.677	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1cc(B(O)O)co1	2249428245	CTRBYECGARVKDU-LLVKDONJSA-N	237.064	-0.026	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)C1(B(O)O)CCC1	2250896617	ZHPCKUBUQPZDIN-CZMCAQCFSA-N	239.080	-0.321	50	10	BBGE	
CC[C@@H]1[C@H](O)CCN1C(=O)C1CC(B(O)O)C1	2251005543	VXJLDZRSGHIEGT-YDYPAMBWSA-N	241.096	-0.389	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2255465142	GFKVQVOWUWOJMA-UHFFFAOYSA-N	248.091	-0.267	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)c[nH]2)C=CCCC1	2255474337	QWYPJCQZPRALAM-LBPRGKRZSA-N	248.091	-0.077	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2C[C@H]3C[C@@H]3C2)n1	2255484085	HUVUSKKWFWADRB-RKDXNWHRSA-N	246.075	-0.838	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCOC2)c1	2255513055	KNNZBMVQSQHMPV-UHFFFAOYSA-N	249.075	-0.505	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1	2255513061	KPPVBZUYWZDWBV-SECBINFHSA-N	249.050	-0.353	50	10	BBGE	
O=C(C#CB(O)O)N1CCC[C@@H](n2ccnc2)C1	2255679350	GTURCEAEZCLWHS-SNVBAGLBSA-N	247.063	-0.938	50	10	BBGE	
O=C(c1cccc(F)c1B(O)O)N1CC[C@@H]2C[C@H]21	2255720784	QDSQIARWZKHYKZ-GMSGAONNSA-N	249.050	-0.260	50	10	BBGE	
CC[C@@H]1CCN(C(=O)c2ncncc2B(O)O)C1	2255731096	ZZTXINVXRFHCCB-MRVPVSSYSA-N	249.079	-0.972	50	10	BBGE	
Cc1ccnc(C(=O)NCCC2CC2)c1B(O)O	2255784865	HWYXDWVZVZMDBN-UHFFFAOYSA-N	248.091	-0.400	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)N1CC2(CC2)C1	2255893362	QJTNDSBHIGIZMV-UHFFFAOYSA-N	246.075	-0.006	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CCC[C@H]2CC[C@H]21	2258127828	LPOXMVJTKARPFI-WCBMZHEXSA-N	249.075	-0.026	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@@H]21)c1cocc1B(O)O	2258138641	MOEDSASEZXCHBP-DKCNOQQISA-N	249.075	-0.122	50	10	BBGE	
Cc1cnc(N[C@H](C)[C@@H]2CCCN2)cc1B(O)O	2258824219	WHAIHISKBHDEOF-KOLCDFICSA-N	249.123	-0.378	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@@H]2CCO[C@@H]2C1	2298167052	XCHNNCUMROOGQN-VPOLOUISSA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3C=C[C@@H]2C3)nc1	2298224963	KFFGNACWHLEIBL-PSASIEDQSA-N	231.064	-0.689	50	10	BBGE	
O=C(N[C@H]1CC2(CCC2)[C@@H]1O)[C@H]1C[C@H]1B(O)O	2298368377	AOSVZGKKIQHMKY-UYXSQOIJSA-N	239.080	-0.731	50	10	BBGE	
C[C@H]1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2B(O)O)O1	2298368805	ZAWKLOAUIVYLTM-QEYWKRMJSA-N	241.096	-0.125	50	10	BBGE	
CC12CC(C1)[C@H](Cn1cc(B(O)O)cn1)CO2	2300543325	HIBFIEFBBPNARM-INWMGODYSA-N	236.080	-0.622	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(O)(C2CC2)C1	2302051130	XGGWHAZIJUERQF-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
CCCN(CCC)NC(=O)NC[C@@H](O)C(=O)O	2302414617	HMQSKOBOOPSUNE-MRVPVSSYSA-N	247.295	-0.232	50	10	BBGE	
CC[C@](C)(CN1C[C@H]2C[C@@]2(CO)C1)C(=O)NN	2303410829	PZHMEDGBMDSFKF-JLLWLGSASA-N	241.335	-0.293	50	10	BBGE	
CC[C@](C)(CN1CCC[C@@H]1C(N)=O)C(=O)NN	2303424957	XHXFMEVIPVCVCL-LDYMZIIASA-N	242.323	-0.658	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1cc(B(O)O)c(F)cn1	2303834736	KWHRMUBHJIFOQU-POYBYMJQSA-N	242.034	-0.305	50	10	BBGE	
NNC(=O)CCCCN1C[C@H]2CC[C@H]1[C@@H](O)C2	2306284680	ZCUAHNGEIOPDRW-DCAQKATOSA-N	241.335	-0.008	50	10	BBGE	
OC[C@H]1C[C@@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2312612226	JTLISKCANHTCJK-DVVUODLYSA-N	248.091	-0.889	50	10	BBGE	
NNC(=O)CCCN1C(=O)c2ccncc2C1=O	2328527815	MCQVDTYTSRHDBK-UHFFFAOYSA-N	248.242	-0.552	50	10	BBGE	
N[C@H](C(=O)O)[C@@H](Br)C(=O)O	13526046	MCPPBWSVIISNCP-NCGGTJAESA-N	211.999	-0.754	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NO)C1	40168100	UYPAGWVMFMYJAF-IUYQGCFVSA-N	244.725	-0.756	50	10	BBGE	
COCc1ccccc1NC(=O)C(=O)NN	49513862	SKGZPRDTFAOUKU-UHFFFAOYSA-N	223.232	-0.239	50	10	BBGE	
C[C@H]1C[C@@H](C)CN(C(=O)COCC(=O)NN)C1	58846820	LRAJHRCPMOYBKK-DTORHVGOSA-N	243.307	-0.503	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@@H]1CO	82470210	OYVUSDONYSLLGJ-SFYZADRCSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCCCN1C(=O)CCCC1=O	82471383	UNOPSGCCESPTRJ-UHFFFAOYSA-N	227.264	-0.314	50	10	BBGE	
C[C@@H](CSc1n[nH]c(N)n1)C(=O)NN	82472952	LRTOYEWCXUAAGI-VKHMYHEASA-N	216.270	-0.895	50	10	BBGE	
Cn1nnnc1NCCOCCCl	83205058	HMDMJFDQPVOUET-UHFFFAOYSA-N	205.649	-0.123	50	10	BBGE	
C[C@H](CO)SC[C@H]1CC[C@H](C(=O)NN)O1	162816270	AZRGFJBCOILTAA-BWZBUEFSSA-N	234.321	-0.362	50	10	BBGE	
COC(=O)N1CCCC[C@@H](C(=O)NN)C1	215366252	WFDRKBHKVSHHBN-SSDOTTSWSA-N	215.253	-0.155	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1N1CC(=O)OC(=O)C1	229670903	MAXXHLBACPBBIU-IUCAKERBSA-N	226.276	-0.288	50	10	BBGE	
NC(=S)NNC(=O)c1cc(O)cc(O)c1	236234426	AENFFTKPGAYWGN-UHFFFAOYSA-N	227.245	-0.424	50	10	BBGE	
O=C1OC[C@@H]2[C@H](O)[C@@H](Br)[C@@H]12	238699050	BKABFSAMXLGLMU-FCAWWPLPSA-N	207.023	-0.086	50	10	BBGE	
NNC(=O)[C@@H](N)Cc1ccc2ncoc2c1	259009562	NYOSGKXHIIMCIJ-ZETCQYMHSA-N	220.232	-0.313	50	10	BBGE	
CCS[C@@H]1CC[C@@H](NC(=O)C(=O)NN)C1	300392378	VKLNUNSOVVPVHG-RNFRBKRXSA-N	231.321	-0.233	50	10	BBGE	
CN(CCO)Cc1ncccc1C(=O)NN	300761603	NQANBTLMFFMNDW-UHFFFAOYSA-N	224.264	-0.891	50	10	BBGE	
O=C1N[C@H]2[C@@H](Br)C[C@H]1[C@@H]2O	306311941	ZBBRHTADBLAAFF-FCAWWPLPSA-N	206.039	-0.371	50	10	BBGE	
CC(=O)NCCN(C)CC(C)(C)C(=O)NN	308203396	WYJAXJWUBBCSFM-UHFFFAOYSA-N	230.312	-0.930	50	10	BBGE	
C=C(C)CS(=O)(=O)NNC(=O)NC	308221003	CKXJMAYLUOYBLQ-UHFFFAOYSA-N	207.255	-0.674	50	10	BBGE	
COCCOCCN(C)[C@@H](C(=O)NN)C(C)C	310346196	NYJOOFJVKLKGNC-SNVBAGLBSA-N	247.339	-0.404	50	10	BBGE	
Cl[C@@H]1COC[C@@H]1Nc1ccc2nnnn2n1	323157196	HLXMFJOJSXFXGL-RITPCOANSA-N	240.654	-0.063	50	10	BBGE	
CC[C@@H](C=NNC(N)=O)[C@@](C)(O)C(=O)O	379700574	OXQLQXWQNCPHBO-YLWLKBPMSA-N	217.225	-0.498	50	10	BBGE	
OB(O)c1cccc(NC2CCOCC2)c1	390079738	AVWRVCMSNVOHNI-UHFFFAOYSA-N	221.065	-0.043	50	10	BBGE	
COc1cc(CC(C)=O)cc(B(O)O)c1	396019380	FELGBXPMOMRYBT-UHFFFAOYSA-N	208.022	-0.494	50	10	BBGE	
COC(=O)CCc1ccc(OC)cc1B(O)O	396030634	IUFSUGZOASESKF-UHFFFAOYSA-N	238.048	-0.519	50	10	BBGE	
COc1ccc(CCC#N)c(B(O)O)c1	396032056	MFOHJPXGHHQJMJ-UHFFFAOYSA-N	205.022	-0.169	50	10	BBGE	
Nc1cc2cc(C=O)sc2cc1B(O)O	396250800	GVFYGSDVFLQTGG-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@]1(CO)CCN(S(=O)(=O)CCl)C1	401833530	JVOHQBKKVQUAEC-SSDOTTSWSA-N	243.712	-0.404	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccc(F)c(B(O)O)c1	404838188	YQQBMFPCSNMWRE-MRXNPFEDSA-N	245.084	-0.011	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@@H]1CCCCO1	404995192	GVGWCZIDKSQKDC-NSHDSACASA-N	249.075	-0.126	50	10	BBGE	
Cn1cccc1C(=O)Nc1ccc(B(O)O)cc1	405035219	UGDZIIPQTYLBDX-UHFFFAOYSA-N	244.059	-0.043	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cccc(B(O)O)c1	585000640	NFRKYCNXLYPORR-PEGIJTEDSA-N	245.087	-0.105	50	10	BBGE	
N=C1N[C@H](O)[C@@H]2N[C@@H](Cl)CC[C@H]2N1	605657964	ORCXFNAHNQAHRT-KVTDHHQDSA-N	204.661	-0.882	50	10	BBGE	
OCC[C@H]1COCCN1C[C@@H](O)CCl	694963647	DHGUKARQVJEPNG-IUCAKERBSA-N	223.700	-0.331	50	10	BBGE	
O=C(CCc1ccccn1)NCB(O)O	702029861	KKMFWSRMRCJFMC-UHFFFAOYSA-N	208.026	-0.858	50	10	BBGE	
CNNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	704644486	MAMYYQPVONLEPL-RCOVLWMOSA-N	229.305	-0.309	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@H]1CCCN(C)C1	705216441	KAJODJLUGCMMDG-UWVGGRQHSA-N	228.340	-0.362	50	10	BBGE	
CCO[C@@H]1CCN(CCC(=O)NN)C1	706450250	WWLSVCOJWNGGMX-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CCOC[C@H]1CCN(C[C@H](C)C(=O)NN)C1	707564839	PWEHLKPHCARDTJ-UWVGGRQHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)N1CCc2ccc(B(O)O)cc21	713063111	XGBHLCHCUBQXDO-LDYMZIIASA-N	245.087	-0.089	50	10	BBGE	
C[C@H](Cl)C(=O)NCC1(S(N)(=O)=O)CC1	714032899	DKSRLYCHBYHBCU-YFKPBYRVSA-N	240.712	-0.449	50	10	BBGE	
Cc1cc(NC(=O)COC2CC2)cc(B(O)O)c1	716965800	QUQFGDYJBFJNNO-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
CN(C)NC(=O)NCc1ocnc1C(=O)O	720757998	LTWATDWXHCCBJJ-UHFFFAOYSA-N	228.208	-0.351	50	10	BBGE	
O=C(CCc1ccco1)NNC(=O)c1nc[nH]n1	746146586	IHVKQNSHTIWQRP-UHFFFAOYSA-N	249.230	-0.209	50	10	BBGE	
CO[C@@H](C(=O)NN(C)C(N)=O)C1CCC1	831520221	ULDCCKZYNURLOM-SSDOTTSWSA-N	215.253	-0.157	50	10	BBGE	
COCCN(C)NC(=O)CN1CC[C@H](C)C1	848056968	LLLKZELXEXYILV-JTQLQIEISA-N	229.324	-0.062	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)OCC	854163886	KPMINFCLCJCJGN-MRVPVSSYSA-N	202.210	-0.299	50	10	BBGE	
Cc1nnc(NNC(=O)CC(C)(C)O)n1C	856048229	VNZBNNYZSFXEHZ-UHFFFAOYSA-N	227.268	-0.272	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CNC(=O)c2ccccc21	858109138	NIQDAJPFFSASCE-JTQLQIEISA-N	247.254	-0.319	50	10	BBGE	
CN(CCCl)c1cc(=O)n(C)c(=O)n1C	888080593	WWEQPZVCVXJHMU-UHFFFAOYSA-N	231.683	-0.241	50	10	BBGE	
CN1CCN(C)CC(C(=O)NN(C)C2CC2)C1	911295871	KCHSRKJPRPJLRH-UHFFFAOYSA-N	240.351	-0.395	50	10	BBGE	
CCNC(=O)NNC(=O)c1cn(C)c(O)n1	1118572491	RPQUOIHZQZUREH-UHFFFAOYSA-N	227.224	-0.910	50	10	BBGE	
Cc1ccoc1CC(=O)NNC(=O)c1cnn[nH]1	1293054821	MAHOCSALKUZZMS-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
COC(=O)NNC(=O)c1cnnc(C)c1	1320638337	YURCFXQZBIWLCX-UHFFFAOYSA-N	210.193	-0.214	50	10	BBGE	
Cc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)on1	1348412244	UWDKSGXVJLQIPX-MRVPVSSYSA-N	236.231	-0.288	50	10	BBGE	
CC(=O)NNC(=O)c1c(C)nc(O)nc1S	1440721940	LEHXJHDFPZBPEP-UHFFFAOYSA-N	242.260	-0.440	50	10	BBGE	
CCn1cc(C(=O)NNC(=O)NC(C)C)nn1	1442575172	VEHJJDOKRJKVGI-UHFFFAOYSA-N	240.267	-0.350	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](C)Oc1ccccn1	1464436550	YMAHXSSTZOWRHE-ZETCQYMHSA-N	238.247	-0.191	50	10	BBGE	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1cn[nH]c1	1587135747	VBWOIHGNHYMJCN-FTLITQJKSA-N	248.242	-0.604	50	10	BBGE	
CCNC(=O)N(C)NC(=O)CC1(O)CCC1	1623762686	SFXIWTMZIIMAMY-UHFFFAOYSA-N	229.280	-0.016	50	10	BBGE	
CON=CC(=O)NNC(=O)[C@H]1CCCCO1	1628547778	KXPHRPVULUABQP-SSDOTTSWSA-N	229.236	-0.665	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)CCc1nn[nH]n1	1630238981	BKABCMBIDKOLRU-UHFFFAOYSA-N	240.267	-0.674	50	10	BBGE	
CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN	1880030891	PVHBNCIGHOKNPL-NKWVEPMBSA-N	247.295	-0.096	50	10	BBGE	
OC[C@@H]1C=CCN1C[C@H](O)CBr	1880567161	HYUUYRGKOQZDAB-JGVFFNPUSA-N	236.109	-0.025	50	10	BBGE	
OCC1(CO)CN(C[C@@H]2C[C@H]2Cl)C1	1883531987	AKORKHXYBXLXDA-JGVFFNPUSA-N	205.685	-0.100	50	10	BBGE	
C[C@H](COCCCC(=O)NN)N(C)C	1884723623	DACMYRAFIOGIAD-MRVPVSSYSA-N	203.286	-0.277	50	10	BBGE	
O=S(=O)(CCl)NC[C@]1(CO)CCCO1	1890921140	PSFGRUOMGZJEBP-ZETCQYMHSA-N	243.712	-0.356	50	10	BBGE	
N=c1[nH]c(=NC[C@@H]2C[C@H]2Cl)[nH]cc1N	1893119632	PNWAXICMZCLVPM-CRCLSJGQSA-N	213.672	-0.068	50	10	BBGE	
CNCCSC[C@@H]1CCC[C@H](C(=O)NN)O1	1896930069	ROGXFYKSTQJRTO-DTWKUNHWSA-N	247.364	-0.133	50	10	BBGE	
Cn1c(O)nnc1NS(=O)(=O)CCCl	1897111074	FMDANHVXTBZOQJ-UHFFFAOYSA-N	240.672	-0.499	50	10	BBGE	
CO[C@@H]1C[C@@H](O)CN(C(=O)/C=C/C(=O)Cl)C1	1897227257	PLUPLSWZZWIILO-YEMZYZDBSA-N	247.678	-0.084	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)C=CC(=O)Cl)[C@@H]1O	1897376075	DXBNTWYEAHVPIG-MUWHJKNJSA-N	247.678	-0.038	50	10	BBGE	
C=C=CCCNC(=O)c1cnsc1B(O)O	1900466242	DCDYOSYUYOPOOV-UHFFFAOYSA-N	238.077	-0.716	50	10	BBGE	
COCCN(C)CCC[C@@H]1C[C@H]1C(=O)NN	1900505314	DZJLRTJSAXNXBI-NXEZZACHSA-N	229.324	-0.029	50	10	BBGE	
C[C@@]1(B(O)O)CCN([C@H]2CCS(=O)(=O)C2)C1	1902530466	ZDXUOFWDFROJDH-DTWKUNHWSA-N	247.125	-0.888	50	10	BBGE	
C[C@@H](CN1C[C@H]2CC[C@H]1[C@@H](O)C2)C(=O)NN	1904371869	WUHFKMNYCASKSX-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
CS[C@H]1CC[C@@H]1Oc1ncncc1B(O)O	1905020878	VPNGEHRPFVSDNN-YUMQZZPRSA-N	240.093	-0.571	50	10	BBGE	
C[C@H](CN1C(=O)CC(C)(C)C1=O)C(=O)NN	1912236754	HNHLRAXFKZDDAW-ZCFIWIBFSA-N	227.264	-0.603	50	10	BBGE	
O=S(=O)(NCCBr)C1COC1	1923230221	HTIZZYAYERRMKW-UHFFFAOYSA-N	244.110	-0.301	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCOC[C@H]1[C@H](O)CO	1928572894	BXGRCHKWZJSEMF-GJMOJQLCSA-N	237.683	-0.806	50	10	BBGE	
O=c1[nH]cc[nH]c1=N[C@H]1COC[C@@H]1CCl	1928744247	PFUCQFSZJIJDTM-BQBZGAKWSA-N	229.667	-0.143	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H](CO)CCCO	1928822319	GEDXIWMCINRWOE-SSDOTTSWSA-N	245.728	-0.722	50	10	BBGE	
NNC(=O)CCCCCN1CC[C@H]1CO	1929740760	MFOVINHGQGQMHA-VIFPVBQESA-N	215.297	-0.397	50	10	BBGE	
CO[C@H]1CN([C@H](C)C(=O)NN)CC12CC2	1930231149	HQQRSVAQPIDYID-SFYZADRCSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](N)CSCC1(C(=O)NN)CC1	1931267425	UNBFNNMITODIPC-ZCFIWIBFSA-N	203.311	-0.163	50	10	BBGE	
CN(CCO)Cc1cncc(C(=O)NN)c1	1935727882	OYABHJXLMNBIIN-UHFFFAOYSA-N	224.264	-0.891	50	10	BBGE	
N#CCCN(CC(F)(F)C(=O)NN)C1CC1	1935942630	TYDAKOWJHMOTLI-UHFFFAOYSA-N	232.234	-0.010	50	10	BBGE	
C[C@@H]1C(=O)N(CCOCC(=O)NN)C[C@@H]1C	1936529598	MRIBNTPAHCCTDI-YUMQZZPRSA-N	229.280	-0.893	50	10	BBGE	
CCCCN(CCO)CCOCC(=O)NN	1936533376	HMMZZVMHDRNOFU-UHFFFAOYSA-N	233.312	-0.913	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@@H]1CCOC1	1936533501	IFCLKRZKHPPAOP-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
C[C@@H](CN1C[C@@H](O)[C@H](C2CC2)C1)C(=O)NN	1937462336	FKVOQTSHVALDKY-UJNFCWOMSA-N	227.308	-0.685	50	10	BBGE	
CC[C@@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1937983488	GOVWZPINZQYVJE-MRVPVSSYSA-N	237.250	-0.542	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H]1C[C@@H](OC)C1	1939552805	NCKWBBGUDKIONQ-YIZRAAEISA-N	231.296	-0.900	50	10	BBGE	
CC(C)(O)[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1	1941073612	MJWJAXHLQTWUAN-BBBLOLIVSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2[C@H](O)CC[C@H]2C1	1941083376	QDLAJEGHFMUSHJ-FBDQPXRJSA-N	239.319	-0.685	50	10	BBGE	
C[C@@]12CCC[C@H]1C(=O)N2CCOCC(=O)NN	1942996811	HFCVDHGNBITBHE-GZMMTYOYSA-N	241.291	-0.606	50	10	BBGE	
COCCN(C[C@H](C)C(=O)NN)[C@H]1CCOC1	1946755995	YOBHVUFADCKGKM-UWVGGRQHSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1951019247	RKRBCVFXMIVRIL-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
NC(=S)NNC(=O)C1(Br)CC1	1953219820	WSGQJOGIYJJBPW-UHFFFAOYSA-N	238.110	-0.222	50	10	BBGE	
COC(=O)NS(=O)(=O)N[C@@H]1C[C@H]1CCl	1955097358	SFQWKQVTTOBUNI-CRCLSJGQSA-N	242.684	-0.196	50	10	BBGE	
CN(C)NC(=O)[C@@H]1COC(C)(C)CN1	1956399356	LYQFBVBNDSSXAA-ZETCQYMHSA-N	201.270	-0.654	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(F)CC1C2	1956497957	LGXIIFNMQSAAEH-PTNSZRNDSA-N	201.245	-0.059	50	10	BBGE	
Cn1nnc2c1CCN(C(=O)CCl)C2	1956772464	NIUXLZMRJKZBPF-UHFFFAOYSA-N	214.656	-0.061	50	10	BBGE	
C[C@@H]1N(C(=O)C(=O)NN)CCC1(F)F	1956916426	ABMQQUNJDSUIFO-BYPYZUCNSA-N	207.180	-0.768	50	10	BBGE	
O=S(=O)(CCCl)N1CC(O)(C(F)F)C1	1956918690	QOIUNTLLNZEKKZ-UHFFFAOYSA-N	249.666	-0.133	50	10	BBGE	
C[C@@H]1C[C@@H]1N(C)CCOCC(=O)NN	1957005674	NMOTVIVOGCKGNI-SFYZADRCSA-N	201.270	-0.667	50	10	BBGE	
CC(C)C[C@@H]1CC(=O)N(CC(=O)NN)C1	1961309255	XCOLAXIIJFLJBK-MRVPVSSYSA-N	213.281	-0.129	50	10	BBGE	
CCCN(C(=O)CCl)[C@H]1CC(=O)NC1=O	1961460312	IAMYZOMAEZRGCZ-LURJTMIESA-N	232.667	-0.121	50	10	BBGE	
CC[C@@H](C)Oc1nc(C)ncc1B(O)O	1961696064	MGZMDNHTNBSXHJ-ZCFIWIBFSA-N	210.042	-0.358	50	10	BBGE	
C#CC(C)(C)N(C)CC(=O)NNC(C)=O	1961776481	CTUVSBWYKFEPFA-UHFFFAOYSA-N	211.265	-0.503	50	10	BBGE	
NNC(=O)CCCOCCN1CCCC1	1974691147	UPZDGIFLKGUSBZ-UHFFFAOYSA-N	215.297	-0.131	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1976086241	BNJOZHZKUBMQDJ-LPEHRKFASA-N	226.324	-0.609	50	10	BBGE	
C[C@@H]([C@@H]1COCCO1)N1CC(=O)OC(=O)C1	1976574365	WSTXOZSNZBEDMU-YUMQZZPRSA-N	229.232	-0.824	50	10	BBGE	
C[C@@H](CN1C[C@H](C)CC[C@@H]1CO)C(=O)NN	1979551689	RHSJKULRHIXDAJ-KXUCPTDWSA-N	229.324	-0.295	50	10	BBGE	
COC[C@H](C)Oc1cc(C)c(B(O)O)cn1	1981422482	PEMOYHDZWYKDSH-QMMMGPOBSA-N	225.053	-0.516	50	10	BBGE	
CC[C@@H](C)N(C)c1ncc(B(O)O)c(C)n1	1981447306	LRXCOZRTABRZPY-SSDOTTSWSA-N	223.085	-0.300	50	10	BBGE	
O=c1c(B(O)O)cccn1CCCC1CC1	1984101035	GGMRFJLIOGREPW-UHFFFAOYSA-N	221.065	-0.282	50	10	BBGE	
Cc1nc(N2CC[C@H]2CF)ncc1B(O)O	1986084934	QKFIZIUYLXGRDI-ZETCQYMHSA-N	225.032	-0.987	50	10	BBGE	
CN(C)[C@H]1C[C@@H](CN2CC(=O)OC(=O)C2)C1	1986646918	LVXNFQQPXZOHPY-DTORHVGOSA-N	226.276	-0.288	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2CC	1987530927	JMKXLWNQUACKSL-KXUCPTDWSA-N	226.324	-0.467	50	10	BBGE	
C=C[C@@]1(O)CCCN([C@H](C)CC(=O)NN)C1	1990538195	BUMJZUCTTVBZPD-MWLCHTKSSA-N	227.308	-0.232	50	10	BBGE	
OB(O)c1cncnc1N1[C@H]2CCC[C@@H]1C2	1992321577	CQCKIHZZDJHYPV-OCAPTIKFSA-N	219.053	-0.712	50	10	BBGE	
CCC1CC(CC(=O)NCC#CB(O)O)C1	1994825707	HMWRJTOYBTVWOS-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC(C)[C@H](C)C(=O)Nc1ncc(B(O)O)cn1	1996646769	WSCMMFMLEBUCDD-ZETCQYMHSA-N	237.068	-0.613	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCN(CC)C(=O)C1	1996756319	QYBALYWXNZEWRT-VIFPVBQESA-N	242.323	-0.691	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@H]2CC[C@@H]21	2002915170	JOKYLKMZCDWRQS-NAKRPEOUSA-N	238.335	-0.609	50	10	BBGE	
CN(Cc1nn(C)cc1C(=O)NN)CC(F)F	2003505953	LGQSKGZSQGNQIT-UHFFFAOYSA-N	247.249	-0.280	50	10	BBGE	
NNC(=O)CCCCN1CC(n2ccnn2)C1	2003858868	PWBGMLOXKFOGGQ-UHFFFAOYSA-N	238.295	-0.705	50	10	BBGE	
NNC(=O)C(=O)N1C[C@@H](O)C2(CCCCC2)C1	2006029360	GGFNTDLBQYOPNZ-MRVPVSSYSA-N	241.291	-0.870	50	10	BBGE	
Cc1ncnc(OC2CC(CF)C2)c1B(O)O	2006994065	HXBRHCLQMOYGAO-UHFFFAOYSA-N	240.043	-0.408	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2C[C@@H]2F)c1B(O)O	2014736592	YGRKLAGDGFILHW-SFYZADRCSA-N	239.059	-0.741	50	10	BBGE	
OB(O)c1cncnc1OC[C@@H]1CC[C@H]2C[C@@H]21	2016497258	OIYKAQFLAGRESB-CIUDSAMLSA-N	234.064	-0.419	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C)[C@@](C)(O)C1	2017233388	FLLLRMHOIGWUAN-KKZNHRDASA-N	245.323	-0.916	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F	2020057668	CPTVHQCMQUPJRS-GJMOJQLCSA-N	245.034	-0.038	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1CCN(C)C1	2021069524	ZMHNIBQNMPCKDW-SNVBAGLBSA-N	236.080	-0.847	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@H]3C[C@@H](C2)C3)O1	2021433934	CRDZVXLFBLFTHH-VLEAKVRGSA-N	239.319	-0.134	50	10	BBGE	
CN1C[C@@H]2CC[C@H](C1)N2c1ccc(B(O)O)cn1	2052468198	ABLZVGWGVCTUSZ-PHIMTYICSA-N	247.107	-0.956	50	10	BBGE	
Cc1ccnc(N2CC[C@@]23CCOC3)c1B(O)O	2052473585	UIKKEZMIUCCOSS-LBPRGKRZSA-N	248.091	-0.561	50	10	BBGE	
CCOc1cc(B(O)O)cc(C#N)c1C	2060204453	AVWHQXHEOZEHHP-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCc1cc(C#N)cc(OC)c1B(O)O	2060261057	KSISCOXRNIYXOJ-UHFFFAOYSA-N	205.022	-0.191	50	10	BBGE	
COc1cc(C=O)cc([N+](=O)[O-])c1B(O)O	2060264873	GZIOUMXRIXNJQS-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
N#Cc1c(OC(F)F)ccc(C=O)c1B(O)O	2060265660	POINWWUQCNAGQV-UHFFFAOYSA-N	240.958	-0.348	50	10	BBGE	
C#CC[C@@H](C)CNC(=O)c1cccc(B(O)O)c1	2079011926	LMDIFQKBTGDBQZ-SNVBAGLBSA-N	245.087	-0.244	50	10	BBGE	
COCOc1cc(C)cc(B(O)O)c1F	2081200764	ZBBKRDUAIMIEOQ-UHFFFAOYSA-N	214.001	-0.203	50	10	BBGE	
CC1CC(NS(=O)(=O)CCl)(C(N)=O)C1	2210071016	CZMBZWVCIHZRRB-UHFFFAOYSA-N	240.712	-0.244	50	10	BBGE	
CN1CC[C@H](OCc2ccc(B(O)O)s2)C1	2211079268	NYYORKVQBJOLGX-QMMMGPOBSA-N	241.121	-0.351	50	10	BBGE	
C[C@H](CN)CCOc1ccc(B(O)O)cn1	2212603866	KCUCJZHHXVDXDN-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
CO[C@@H]1C[C@@H]1Nc1cc(B(O)O)c(C)cn1	2212604394	PHFVIYKNGIKUBS-DTWKUNHWSA-N	222.053	-0.731	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1Nc1ncccc1B(O)O	2212610079	BYGGKAHQCGATBM-WPRPVWTQSA-N	222.053	-0.649	50	10	BBGE	
C[C@@H]1[C@H](CNc2ncc(B(O)O)cn2)[C@@H]1C	2212612217	IHYHJRMQVJETCC-SRSLHRDFSA-N	221.069	-0.530	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@]1(F)CCOC1	2216337540	HQZLPECTDFDIHR-SCZZXKLOSA-N	249.286	-0.948	50	10	BBGE	
C[C@@H](C[C@@H](C)CN)Oc1ncccc1B(O)O	2217174861	ZRYFNMSXLOJGPY-BDAKNGLRSA-N	238.096	-0.486	50	10	BBGE	
C=CC[C@@H](CO)Nc1cc(B(O)O)c(C)cn1	2217180209	RDVMQLWJVDHMTC-VIFPVBQESA-N	236.080	-0.581	50	10	BBGE	
CC(C)(CCCN)Oc1ncccc1B(O)O	2217182678	CBQXCVZBNLMIHZ-UHFFFAOYSA-N	238.096	-0.342	50	10	BBGE	
CC[C@@H](CCO)Nc1cc(B(O)O)c(C)cn1	2217184982	XHOZSNGJTZAHFW-VIFPVBQESA-N	238.096	-0.357	50	10	BBGE	
C[C@@]12C[C@@H]1CN(c1nccc(B(O)O)c1F)C2	2217185039	SZRKCFSRUZYGLW-HQJQHLMTSA-N	236.055	-0.253	50	10	BBGE	
CNC[C@@H](Oc1ccc(B(O)O)cn1)C1CC1	2217190025	BDXOUCYRBVVUEZ-SNVBAGLBSA-N	236.080	-0.862	50	10	BBGE	
NC[C@@H]1CC[C@H](Nc2ncccc2B(O)O)C1	2217199296	LJUVKWVCUDQRMY-BDAKNGLRSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cccnc1NCc1ncccn1	2217200261	SCAZFJIGQAZVGS-UHFFFAOYSA-N	230.036	-0.837	50	10	BBGE	
CO[C@@H]1CC[C@@H]1CNc1cc(B(O)O)ccn1	2217201845	ZYXULGIRNIYLGL-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
CN1CC(CCNc2ncccc2B(O)O)C1	2217202942	NIVFQRWULUXLEA-UHFFFAOYSA-N	235.096	-0.875	50	10	BBGE	
N[C@H]1CCCN(Cc2cccc(B(O)O)c2)CC1	2220070723	SZBDMRDPNYIUQF-ZDUSSCGKSA-N	248.135	-0.320	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@@H]2CC[C@H]2C)n1	2220614112	VWZZPENQCZBDFV-SCZZXKLOSA-N	249.123	-0.053	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cn(C)nn1	2223636306	IGFMICIHUXBPSD-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCC[C@@H]1CN	2223637572	GCABTELWTWSBLZ-KOLCDFICSA-N	249.123	-0.675	50	10	BBGE	
C#CC1CCN(c2nccc(B(O)O)c2F)CC1	2223645023	QZJGQZWTYJFBJE-UHFFFAOYSA-N	248.066	-0.250	50	10	BBGE	
C#C[C@H](C1CCC1)N(C)c1ccc(B(O)O)cn1	2223648421	KVZOIYYJYBGVTD-GFCCVEGCSA-N	244.103	-0.001	50	10	BBGE	
OB(O)c1ccc(NC[C@@H]2[C@H]3CCCO[C@@H]23)nc1	2223652559	JYWIGRCLNGJTJZ-CKYFFXLPSA-N	248.091	-0.402	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@H]3C[C@H]2CN3)cc1B(O)O	2223654009	XBXHRPNGDJKNOT-NGZCFLSTSA-N	247.107	-0.768	50	10	BBGE	
NCC[C@@H]1CCCN(c2ccc(B(O)O)cn2)C1	2223670789	CSZZPNNICJJFNP-JTQLQIEISA-N	249.123	-0.673	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@]3(CCOC3)C2)c1	2223671030	GRCNOSAHEVHXKH-LBPRGKRZSA-N	248.091	-0.622	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CCC[C@H](C2)N3)c1	2223676479	BNPWARXLZBFMDV-PHIMTYICSA-N	247.107	-0.908	50	10	BBGE	
C[C@H](CNC(=O)C#CB(O)O)C(F)F	2241467876	CKBDSTOCQMTOMB-RXMQYKEDSA-N	204.969	-0.981	50	10	BBGE	
O[C@H]1CCN(C[C@@H](O)CCl)CC[C@H]1O	2241587220	KFZVSUULPZIJQC-XHNCKOQMSA-N	223.700	-0.596	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)NCC=CB(O)O)C1	2242934113	JFHHBDXIDNDEJN-ZKCHVHJHSA-N	228.057	-0.969	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1nncs1	2243282750	AISARWXLQKRJOJ-MRVPVSSYSA-N	243.336	-0.016	50	10	BBGE	
O=C(c1sccc1B(O)O)N1CC=CCC1	2243357646	ZLGANFIPSWEQDP-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CC[C@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2243364158	RZTUFWDSGYTIKF-QMMMGPOBSA-N	227.069	-0.369	50	10	BBGE	
CCC[C@H](N)CNC(=O)C1CC(B(O)O)C1	2243397315	YUDVEXNBTBHDJS-HACHORDNSA-N	228.101	-0.517	50	10	BBGE	
CC1(C)SCC[C@@H]1CNC(=O)C#CB(O)O	2243398006	AMJKOYLOFDRBQZ-MRVPVSSYSA-N	241.121	-0.350	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCCF	2243409968	SEMASYRMKUGFHH-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
CC1(C)[C@@H](O)CN1C(=O)C1(B(O)O)CCC1	2243411513	VCTJNXNEOJQSMA-ZETCQYMHSA-N	227.069	-0.635	50	10	BBGE	
CN(CC[S@](C)=O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243414907	KKPJXDVODJOICU-DELOJEAUSA-N	247.125	-0.924	50	10	BBGE	
CCCCCNC(=O)c1cc(B(O)O)n[nH]1	2243419971	JXAPIFIVYSPDHG-UHFFFAOYSA-N	225.057	-0.991	50	10	BBGE	
C#CC(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1	2243678285	HFZFERJNMUZKCB-ZETCQYMHSA-N	237.089	-0.420	50	10	BBGE	
C#CCCS(=O)(=O)N1CCC(B(O)O)CC1	2244170885	MJLRDRFCHJOQMV-UHFFFAOYSA-N	245.109	-0.722	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2244219379	KILIBJLVPPMNGE-BYPYZUCNSA-N	232.979	-0.657	50	10	BBGE	
C[C@H]1CC[C@H](C(=O)NCCC#CB(O)O)S1	2244550926	XOWWLPGCTVWOPR-DTWKUNHWSA-N	241.121	-0.208	50	10	BBGE	
NC[C@H]1C[C@H]1Nc1cc(B(O)O)c(Cl)cn1	2245913286	OYAANISXIVZSKJ-SVGQVSJJSA-N	241.487	-0.826	50	10	BBGE	
OB(O)c1ccnc(S[C@H]2CC[C@@H]2O)c1F	2245953216	WOWJXFRRQKRLPR-BQBZGAKWSA-N	243.068	-0.484	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC[C@H]1CCO1	2246211708	UBSWISSYSOVDCP-DTWKUNHWSA-N	231.296	-0.898	50	10	BBGE	
O=C(Nc1ccns1)c1ccncc1B(O)O	2247732200	DAUOIFLBBZRKRL-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
C=CCCCN(C)C(=O)c1n[nH]cc1B(O)O	2247780902	GSOGBTWMEGTZEM-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
CC(C)(C)CCNC(=O)c1cc(B(O)O)n[nH]1	2247783706	JPYSBDMKIFEZEY-UHFFFAOYSA-N	239.084	-0.745	50	10	BBGE	
CC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2247786657	DUUMEIACZYWWTC-JXUBOQSCSA-N	241.096	-0.077	50	10	BBGE	
CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247787312	NHSADCVZWDNYKL-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@@H]1B(O)O	2247796608	BESDLIBHNNFRQD-XKNYDFJKSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCCO1	2247798709	WJGNVHAFEJHVRC-XNWIYYODSA-N	241.096	-0.123	50	10	BBGE	
CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2247807033	GZNQSOSXLZWECG-JLIMGVALSA-N	241.096	-0.221	50	10	BBGE	
CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)C(=O)C#CB(O)O	2247841127	GBJJVRRYCABQKT-USNOUSKRSA-N	233.076	-0.638	50	10	BBGE	
CCC[C@H](C)NC(=O)c1ccc(B(O)O)cn1	2247846861	NPOYCCZLQYUIDH-QMMMGPOBSA-N	236.080	-0.320	50	10	BBGE	
C=CCN(C(=O)c1n[nH]cc1B(O)O)C(C)C	2247885629	OQBNNJACPFQGNV-UHFFFAOYSA-N	237.068	-0.874	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)C2CC(B(O)O)C2)CCN1C	2247891704	MSMSFQFIFMDHLN-WOOKNIGNSA-N	240.112	-0.552	50	10	BBGE	
CN(C)C[C@@H]1CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898668	GTVBGIHPLANSJC-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
NC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247898718	HGZAGXFAMMQQSO-JLIMGVALSA-N	240.112	-0.517	50	10	BBGE	
NC[C@]12C[C@H]1CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C2	2250687190	IADKSYNJAWTGDV-CKEKPRIKSA-N	238.096	-0.953	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1C[C@@H]2CCC[C@H]21	2255443659	CGCGGJGEVABBBX-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
Cc1ccc(C(=O)N=c2cc[nH][nH]2)cc1B(O)O	2255514354	HLOYUTWXWIOIAE-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N1CC2CC(C2)C1	2255734479	BJFGZSSUUWXXEV-UHFFFAOYSA-N	248.091	-0.813	50	10	BBGE	
COc1ccc(B(O)O)c(C(=O)N2CC=CC2)c1	2255739345	IUJSXBMJJJTEGC-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
C=CCCNC(=O)c1cc(B(O)O)ccc1OC	2255744857	MOMRPCNVLQIPCD-UHFFFAOYSA-N	249.075	-0.319	50	10	BBGE	
Cc1ccn(NC(=O)c2cc(C)c(B(O)O)o2)c1	2255747288	IIDJEKGGSNUESJ-UHFFFAOYSA-N	248.047	-0.238	50	10	BBGE	
O=C(N[C@H]1C=CCC1)c1ccc(B(O)O)cc1O	2255952328	RFHAPMTVODGBKA-VIFPVBQESA-N	247.059	-0.480	50	10	BBGE	
C[C@@H](O)C(=O)N1CCCc2cccc(B(O)O)c21	2256596256	WBFGBBAVXQKRPD-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
C#CC1(NC(=O)c2cccc(F)c2B(O)O)CC1	2258949107	GZPRUIQRWUOFJX-UHFFFAOYSA-N	247.034	-0.599	50	10	BBGE	
CN(C)C=C(C#N)C(=O)N1CCOCC1	2295358850	BMDSZDDUUMGADC-UHFFFAOYSA-N	209.249	-0.186	50	10	BBGE	
C[C@H]1CCO[C@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2298368645	QAWOELDDXJPFSG-JXUBOQSCSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H](O)[C@@H]2CC[C@@H]21	2298369419	UIUBRULMSYXPKZ-MQIGXGKASA-N	239.080	-0.779	50	10	BBGE	
CC1(C)CNC[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298374713	JRWRFKIBMYYVEG-DJLDLDEBSA-N	240.112	-0.646	50	10	BBGE	
O=C1C[C@@H](C2CC2)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374989	VMXRRYGFKXCSLX-IWSPIJDZSA-N	237.064	-0.366	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)CC1COC1	2300365522	ZUUGDMLGPMQWQT-GHMZBOCLSA-N	241.335	-0.029	50	10	BBGE	
C[C@H]1C[C@@H](C)[C@@H]1NC(=O)c1coc(B(O)O)c1	2301197087	DUOZLOBCPPHEFA-MTBHXBHISA-N	237.064	-0.266	50	10	BBGE	
CO[C@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2301346184	OBAFFSARSGGBDJ-QWRGUYRKSA-N	232.048	-0.563	50	10	BBGE	
C[C@@H](N)CN(C)c1ccc(B(O)O)cc1C#N	2301346702	UCMKGDCHHWTAMJ-MRVPVSSYSA-N	233.080	-0.979	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@H]1[C@@](C)(O)C2	2301479021	MOMFBYUQTPAWLP-NDCWEZFPSA-N	241.335	-0.154	50	10	BBGE	
CC(C)N(CC(N)=O)[C@H](C)CCCC(=O)NN	2302060702	PNGRYSDAQZQBTD-SECBINFHSA-N	244.339	-0.269	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N2CC[C@](C)(B(O)O)C2)C1	2303110881	DWMIPNLMECMQMS-QXEWZRGKSA-N	241.096	-0.123	50	10	BBGE	
OB(O)c1cc(=NC[C@@H]2C[C@H]2CF)[nH]cc1F	2303836650	PCCGOOOMFSXQIU-BQBZGAKWSA-N	242.034	-0.660	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)co1)[C@H]1CC[C@@H]2C[C@H]12	2313081020	BOOXCBAMVTZSRX-JEZHCXPESA-N	249.075	-0.170	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CCCN(CC(N)=O)CC1	37833967	XFBWALUWFLHMMM-MRVPVSSYSA-N	247.726	-0.367	50	10	BBGE	
CCCCN(CC)C(=O)COCC(=O)NN	58839169	OXBRPVNHPTZBPE-UHFFFAOYSA-N	231.296	-0.359	50	10	BBGE	
COC[C@@H](O)CN(C)S(=O)(=O)CCl	82513119	UYZPMWJLPDNQEC-LURJTMIESA-N	231.701	-0.548	50	10	BBGE	
CN(C)[C@@H]1CCCN(CCC(=O)NN)C1	84420999	UWCQUNKWUTXNCC-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
COCCN(CCCl)S(=O)(=O)N(C)C	124252802	QGVFQTNAKCYHTB-UHFFFAOYSA-N	244.744	-0.020	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@@H]1CCCC[C@@H]1O	158245214	AJAZSPSEUWTDCB-BBBLOLIVSA-N	229.324	-0.010	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(CCC)CCO	212038736	ROTIPYOWHGAPMU-VIFPVBQESA-N	217.313	-0.151	50	10	BBGE	
CCN(CB(O)O)C(=O)[C@@H](N)CC(C)C	238250679	PYOSMHIBFOBWPH-QMMMGPOBSA-N	216.090	-0.780	50	10	BBGE	
Cc1nc(C(=O)NN)c(N)nc1N(C)C	238320303	DRZIIDMTKMXPAJ-UHFFFAOYSA-N	210.241	-0.963	50	10	BBGE	
NNC(=O)C(=O)Nc1nc2ccccc2[nH]1	238654276	BMCPRROJEBTETR-UHFFFAOYSA-N	219.204	-0.509	50	10	BBGE	
CN(C)C(=O)NNC(=O)C1=COCCC1	264559002	QLGDYJCEMMHIFM-UHFFFAOYSA-N	213.237	-0.017	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@](O)(C(N)=O)C1	306616675	PBAITIQPKNJIEG-POYBYMJQSA-N	217.656	-0.961	50	10	BBGE	
COC[C@H]1CCCCN1CC(=O)NN	307765183	PHUFDWNIDAWCDD-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CN(Nc1ncc([N+](=O)[O-])c(N)n1)C(N)=O	309319127	ZXSNQMCSMYPSOG-UHFFFAOYSA-N	227.184	-0.696	50	10	BBGE	
CC(=NNC(=O)CO)c1ccc(C(=O)O)o1	309699543	SHJMDVHGTFJZCG-UHFFFAOYSA-N	226.188	-0.190	50	10	BBGE	
NC(=O)NN=C1CCO[C@@H](C(=O)O)C1	394747179	NPCSDLAAQDPUBG-RXMQYKEDSA-N	201.182	-0.726	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401711489	UESZFTTVNRUOJN-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(F)(F)[C@H](CO)C1	403238407	OVPYZDJQSCQUMD-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)c1cc[nH]n1	404953924	UZURQTCAGPVTPW-UHFFFAOYSA-N	231.020	-0.658	50	10	BBGE	
CC[C@@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	404983182	LFKOIUNLPQQHBZ-APPZFPTMSA-N	234.064	-0.254	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1CCCC12OCCO2	495639838	KEXRZYMONNJBPV-SSDOTTSWSA-N	244.247	-0.083	50	10	BBGE	
CC[C@H]1CN(CC(=O)NN)C[C@H](C)O1	689158370	BMABGJLYRMHZFL-YUMQZZPRSA-N	201.270	-0.524	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	690064233	ADCYYMRXZDVVBO-WDEREUQCSA-N	249.075	-0.270	50	10	BBGE	
C[C@@H](O)CN(C1CC1)[C@H](C)CCC(=O)NN	692095620	LUOGTJMSYZWSCQ-RKDXNWHRSA-N	229.324	-0.010	50	10	BBGE	
C[C@H](NC(=O)CBr)[C@@H](O)CO	698872608	LIKABDCTLCRUPU-WHFBIAKZSA-N	226.070	-0.761	50	10	BBGE	
CC(C)(CN1CC2(CCCO2)C1)C(=O)NN	702938070	GIOWCZGDXXQEGM-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2C[C@@]1(O)CCOC1	703436086	MMMKLKUKHALUBS-XLDPMVHQSA-N	241.243	-0.946	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(OCC(F)(F)F)C1	707384140	JEAGNRDQPIIYPP-RXMQYKEDSA-N	241.213	-0.372	50	10	BBGE	
C[C@H]1N=CC(S(=O)(=O)NCCCl)=N1	725594493	GSJDTWPBKCUCQE-YFKPBYRVSA-N	223.685	-0.027	50	10	BBGE	
C[n+]1cc(CN[S@+]([O])(=O)CCl)[nH]n1	725595453	OTQVQTDREIWEDP-ZDUSSCGKSA-O	225.681	-0.720	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@H](O)[C@@H]1C	725614713	PEJXNJBDRQSHST-FXQIFTODSA-N	201.270	-0.790	50	10	BBGE	
CN1CCC(=NNC(=O)[C@]2(C)CCCO2)C1=O	834993938	LEOLOFHYHYLUOD-NSHDSACASA-N	239.275	-0.110	50	10	BBGE	
CC[C@H](OC)C(=O)NNC(=O)c1cnsn1	894288356	SNDBMKZADABTOQ-LURJTMIESA-N	244.276	-0.276	50	10	BBGE	
CN(C)C(=O)NNC(=O)Cc1cncn1C	1142535314	SBTXJTVPKCUZJN-UHFFFAOYSA-N	225.252	-0.735	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NNC(=O)N(C)C	1320800449	OTFAAKSUUSJWJZ-YUMQZZPRSA-N	229.280	-0.039	50	10	BBGE	
CC(=O)NNC(=O)c1cncc2ncn(C)c12	1440721285	GSRXOYVRQBCYMD-UHFFFAOYSA-N	233.231	-0.251	50	10	BBGE	
CCn1cccc1C(=O)NNC(=O)CO	1611094694	JCQSJQWLHJAWPS-UHFFFAOYSA-N	211.221	-0.739	50	10	BBGE	
NC(=O)CCCC(=O)NNc1ccncn1	1637047054	LNDSDDVMASADSO-UHFFFAOYSA-N	223.236	-0.425	50	10	BBGE	
O=C(N[C@@H]1CCNC[C@H]1O)[C@H]1C[C@H]1Cl	1877521630	VHNJHKXOYCNJGR-LXGUWJNJSA-N	218.684	-0.547	50	10	BBGE	
NC1CN(C(=O)NC[C@H]2C[C@H]2Cl)C1	1883564623	VKTMHOIJMVQGKD-IYSWYEEDSA-N	203.673	-0.034	50	10	BBGE	
C[C@@]1(CCl)CN(CC[C@@H](O)CO)C1=O	1885778778	XCXDCBRBXUTJBG-VXNVDRBHSA-N	221.684	-0.183	50	10	BBGE	
NC[C@H](CO)C(=O)N1CCSSCC1	1887251869	HVBGTUORJMCNPQ-SSDOTTSWSA-N	236.362	-0.223	50	10	BBGE	
C[C@@H](Cl)c1nnnn1N(C)S(C)(=O)=O	1888562232	RKSSDWPMDUUXHI-SCSAIBSYSA-N	239.688	-0.500	50	10	BBGE	
O=C(N[C@H]1C[C@@H](F)C1)C1(B(O)O)CC1	1893677440	VSGLDGKUAAVGHT-OLQVQODUSA-N	201.006	-0.390	50	10	BBGE	
C=C(COCC[C@H](C)N(C)C)B(O)O	1895097621	SJZMPCDJINHWPE-VIFPVBQESA-N	201.075	-0.089	50	10	BBGE	
CC1(NC(=O)c2cnsc2B(O)O)CCC1	1900452315	QPJDFBAFJJKRLF-UHFFFAOYSA-N	240.093	-0.505	50	10	BBGE	
CC(C)CN(C)C(=O)c1cnsc1B(O)O	1900467378	RQQZPQSLGTUMRL-UHFFFAOYSA-N	242.109	-0.449	50	10	BBGE	
CN(NC(=O)[C@]12CC[C@H]1CCN2)S(C)(=O)=O	1901377206	LGHWQPFHFHTLQU-CBAPKCEASA-N	247.320	-0.949	50	10	BBGE	
CC(C)=C(CN(C)[C@H]1CCN(C)C1)B(O)O	1901618274	SSCMAOORIGQWMP-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
CN(C[C@@H]1CCO1)C[C@@H]1CC[C@H]1C(=O)NN	1901981762	WDPQIUBWLMBENE-LPEHRKFASA-N	227.308	-0.277	50	10	BBGE	
NNC(=O)C(F)(F)COC[C@@H]1[C@H]2COC[C@H]21	1902164625	GVNGLVFULNRVQB-ZMONIFLSSA-N	236.218	-0.479	50	10	BBGE	
Cn1cncc1CN1CC[C@](C)(B(O)O)C1	1902518133	PKZFJMIYGUPXJG-JTQLQIEISA-N	223.085	-0.141	50	10	BBGE	
OB(O)[C@H]1CCN(C[C@@H]2CC(F)(F)CO2)C1	1902528278	FVVNEDBOVQOMMX-YUMQZZPRSA-N	235.039	-0.041	50	10	BBGE	
CCOCCOC(=O)N1CC[C@H](B(O)O)C1	1902541949	UHKLGILELKBWBV-QMMMGPOBSA-N	231.057	-0.292	50	10	BBGE	
CC[C@@](C)(CN(CC#N)CC#N)C(=O)NN	1902706159	KTFNHMZCYGEZDB-JTQLQIEISA-N	223.280	-0.258	50	10	BBGE	
C#CC[C@@H](C)Oc1cc(B(O)O)c(F)cn1	1903021544	USJPSMSHPAZNHZ-SSDOTTSWSA-N	223.012	-0.309	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H](CO)C[C@@H]2CCC[C@@H]21	1906310343	UYRPUDAQJBJQLQ-NAKRPEOUSA-N	241.335	-0.010	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NC1CN(C(N)=O)C1	1917792367	YZOVYDAAXSXLHI-SCSAIBSYSA-N	248.670	-0.798	50	10	BBGE	
C[S@](=O)CCC(=O)NNC(=O)C(F)(F)F	1923391629	OBUJUTIIOQZHIZ-HNNXBMFYSA-N	246.210	-0.535	50	10	BBGE	
Cc1nc(C)n(C[C@@H]2C[C@@H]2C(=O)NN)n1	1927911218	MQECUTITRQOUKW-YUMQZZPRSA-N	209.253	-0.479	50	10	BBGE	
CCOC[C@H](C)OCCOCC(=O)NN	1928179939	VTPRBFTWSCEIFW-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
C=CCn1nc(CC)c(B(O)O)c1CC	1930223245	KZFXWSFBSINXDD-UHFFFAOYSA-N	208.070	-0.126	50	10	BBGE	
CC[C@@H](COC)OCCOCC(=O)NN	1931005879	NBHFQKNUDCRYEX-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
C[C@@]1(CCl)CN([C@H]2CCNC2=O)C1=O	1931726163	QEIPOERPUDYFDC-IMTBSYHQSA-N	216.668	-0.038	50	10	BBGE	
Cn1nncc1[C@H]1CS(=O)(=O)C[C@@H]1Cl	1934427820	LUYAJSSRRFTBIJ-WDSKDSINSA-N	235.696	-0.066	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@H](O)[C@H](F)C1	1936027480	YAPIDOKBQUBLJU-HLTSFMKQSA-N	233.287	-0.450	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)Cn2cccn2)C1	1937195060	WZEWIIANWGZCHP-RKDXNWHRSA-N	242.710	-0.079	50	10	BBGE	
NNC(=O)C1(CN2[C@H]3CC[C@H]2COC3)CC1	1938248247	CQFHRFPOMGBASP-IUCAKERBSA-N	225.292	-0.380	50	10	BBGE	
CC(C)N(C[C@@H](C)O)CC1(C(=O)NN)CC1	1938248847	MBLNIJROAGXGED-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2[C@H](C1=O)C2(F)F	1941092865	CMYOYDFTKKZQPK-BDVNFPICSA-N	245.229	-0.664	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)Cc1cncn1C	1944728875	XPOKHCAVQGMUJT-DTWKUNHWSA-N	239.323	-0.134	50	10	BBGE	
CN1CCCN(CCCC(=O)NN)CCC1=O	1947184913	GUTMWCROXLQYIX-UHFFFAOYSA-N	242.323	-0.689	50	10	BBGE	
C=CS(=O)(=O)N1CCC(O)(C#N)CC1	1955784120	UNPANVSSTWYVAL-UHFFFAOYSA-N	216.262	-0.190	50	10	BBGE	
CCN(C[C@@H](O)CCl)[C@@H]1CCNC1=O	1956859243	UUROKYVFTWNACS-JGVFFNPUSA-N	220.700	-0.204	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1CC[C@H]1O	1958982327	MGVIKJRLVINBIH-WCTZXXKLSA-N	211.217	-0.574	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	1962096326	AABZGOITTGLPLA-ULAWRXDQSA-N	209.249	-0.767	50	10	BBGE	
COc1cc(F)c([N+](=O)[O-])cc1B(O)O	1974577054	FYRLSJRWXXQFEU-UHFFFAOYSA-N	214.945	-0.578	50	10	BBGE	
C[C@H]1CC(=O)N1Cc1nsc(C(=O)NN)n1	1975982992	RGXXYYMOHKPIFF-BYPYZUCNSA-N	241.276	-0.738	50	10	BBGE	
C[C@H](N=[S@@](C)(=O)c1cnn(C)c1)C(=O)NN	1977066105	OHLCMIWUKJUGLG-MUCOVADDSA-N	245.308	-0.745	50	10	BBGE	
C[C@H]1CN(C(=O)NN(C)C)[C@@H](C(=O)O)CO1	1979153009	BWXVLHHIGQFRCN-NKWVEPMBSA-N	231.252	-0.654	50	10	BBGE	
C[C@@H]1C[C@@H]1N(CCO)CC(F)(F)C(=O)NN	1979617300	YULSCZIEFBWRRY-RQJHMYQMSA-N	237.250	-0.686	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@H]32)nc1	1981409742	QYCZWVZCXODGGC-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1ncncc1B(O)O	1981415081	ZULVDGLGSLTNMH-JGVFFNPUSA-N	221.069	-0.751	50	10	BBGE	
COCCCOc1ncc(B(O)O)cc1C	1981422403	OBNWXQZIWLSBFB-UHFFFAOYSA-N	225.053	-0.515	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCCN1CCCC1	1982848550	KOKCNCIBRYHYCB-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
CN(CC(C)(C)C(=O)NN)C1(CCO)CC1	1988602163	YGRVOOIWWDSDSF-UHFFFAOYSA-N	229.324	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N(CC(F)(F)F)C1COC1	1991227558	NTIFOJCZIHBMFS-YFKPBYRVSA-N	241.213	-0.372	50	10	BBGE	
O=C(O)C1=NO[C@H](C(=O)NC[C@H]2C[C@H]2Cl)C1	1991437814	IFHSBSVLGGRWIX-XAHCXIQSSA-N	246.650	-0.041	50	10	BBGE	
CN1CCC(OCC(F)(F)C(=O)NN)CC1	1992112560	AZDNHRSQBQRPAF-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C=C(CN1CCn2nc(C)cc2C1)B(O)O	1992158891	DUFQHONZORUVBF-UHFFFAOYSA-N	221.069	-0.425	50	10	BBGE	
CC1(C)C[C@@H]1COc1ncncc1B(O)O	1992225642	POWNZAFSNCZMQG-SSDOTTSWSA-N	222.053	-0.419	50	10	BBGE	
Cc1nc(OC[C@H]2C[C@@H]2C)ncc1B(O)O	1993077594	VTSYMVSCIJFLLZ-POYBYMJQSA-N	222.053	-0.500	50	10	BBGE	
O=C(N[C@H]1COC[C@H]1Cl)C1COCCOC1	1994116795	VLIAIYTWFLDRFM-BDAKNGLRSA-N	249.694	-0.228	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCC2(CC2)CO1	1994631021	RGJFMVAMAKPZOD-SSDOTTSWSA-N	227.264	-0.948	50	10	BBGE	
CC1(C(=O)N[C@H](CB(O)O)C(=O)O)CCCC1	1998130758	NSMBPLCDXMALQT-SSDOTTSWSA-N	243.068	-0.391	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1CCCCO1	2003506637	XPCQMCVSKQNAJU-UHFFFAOYSA-N	239.279	-0.449	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)c1ncccc1B(O)O	2004934030	OYGXSZQJMAEMSL-ZJUUUORDSA-N	236.080	-0.625	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)CC1(F)F	2004935988	SRJIVUVNDNIWJS-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H](F)[C@H](C)C2)n1	2005013954	DNBGBFQGHMWPOF-HZGVNTEJSA-N	239.059	-0.741	50	10	BBGE	
CN(Cc1ncn(C)n1)CC1(C(=O)NN)CC1	2008811048	SRAQIYKCSJSYDF-UHFFFAOYSA-N	238.295	-0.983	50	10	BBGE	
N#CC1(O)CCN(C(=O)CC(F)(F)CN)CC1	2012728201	NLQMBFNPRPLAML-UHFFFAOYSA-N	247.245	-0.152	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CC2(CC(CO)C2)C1	2013608749	MHBCWCGAXXZMSO-UWVGGRQHSA-N	239.319	-0.683	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCOC[C@H]1F	2013730280	MHCRJTMHLNCBTK-RKDXNWHRSA-N	245.298	-0.185	50	10	BBGE	
CC[C@H](OC[C@H](C)N1CCOCC1)C(=O)NN	2013805215	YOLJNLBPHYGGFL-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CC1(NC(=O)N[C@@H](CB(O)O)C(=O)O)CCC1	2015625537	CMRNCJALBZVRAF-LURJTMIESA-N	244.056	-0.846	50	10	BBGE	
COCC[C@@H](C)C(=O)N[C@H]1CCC=C1B(O)O	2020068077	NVCRCJFIDXCVSG-SCZZXKLOSA-N	241.096	-0.124	50	10	BBGE	
NNC(=O)C(=O)NC1[C@H]2CC[C@H]3C[C@H]2CC[C@@H]13	2025124752	QQMBARPIXCWLOP-MGPGSJOLSA-N	237.303	-0.083	50	10	BBGE	
COC[C@@H](C(=O)NN)N1[C@@H](CO)CCC1(C)C	2025476050	MJYMMVQEYLDTCC-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1cccnn1	2029100270	OXPKESWLHQYNBC-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCC[C@H]3CC[C@H]32)n1	2052619458	FVMMUFBTGANWMF-GXSJLCMTSA-N	247.107	-0.156	50	10	BBGE	
N#Cc1cc(B(O)O)cc(F)c1[N+](=O)[O-]	2060177077	UDFTUHAEJGXAEL-UHFFFAOYSA-N	209.929	-0.715	50	10	BBGE	
CCOc1c(C)ccc(B(O)O)c1C#N	2060205480	ZLBQQCZUTMOFJA-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
N#Cc1cc(C=O)c(C(F)F)c(B(O)O)c1	2060232199	WGNCXUACFMLAFI-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CN(C)C1CC(OCc2ccc(B(O)O)cc2)C1	2063789260	LDGWABNYLMEXKE-UHFFFAOYSA-N	249.119	-0.024	50	10	BBGE	
Cc1nc(NC(=O)[C@@H]2CC23CC3)ncc1B(O)O	2069484200	BQRJELZGGNTGNU-ZETCQYMHSA-N	247.063	-0.797	50	10	BBGE	
C[C@]1(O)C[C@H]2[C@@H]1CCN2CCCC(=O)NN	2210374735	PTGHYPJBAPLJAH-QXEWZRGKSA-N	227.308	-0.398	50	10	BBGE	
NNC(=O)C1(CN2CC3(COC3)C2)CCC1	2212267272	VBGDFVHCAWEEON-UHFFFAOYSA-N	225.292	-0.521	50	10	BBGE	
CO[C@@]12CC[C@@H]1CN(CCCC(=O)NN)C2	2212336684	OXDGFJRIMFQYNW-MWLCHTKSSA-N	227.308	-0.133	50	10	BBGE	
CN[C@@H](C)COc1cc(B(O)O)c(C)cn1	2212604067	LQRHXBTWKOSKOA-QMMMGPOBSA-N	224.069	-0.943	50	10	BBGE	
NC1(CCNc2cc(B(O)O)ccn2)CC1	2212605707	JBEMWQJVYPXCER-UHFFFAOYSA-N	221.069	-0.945	50	10	BBGE	
COC[C@@H](C)Oc1nccc(B(O)O)c1F	2212608597	URNOZZZTYFKDPW-ZCFIWIBFSA-N	229.016	-0.686	50	10	BBGE	
OB(O)c1ccc(N[C@H]2CCC[C@@H]2O)nc1	2212610448	IWRFEZNCECDNTD-IUCAKERBSA-N	222.053	-0.913	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@@H]2C[C@]2(CO)C1	2215773924	UXQMAHLPGTWURE-QFOLPQNPSA-N	239.319	-0.683	50	10	BBGE	
NNC(=O)C1(Cn2cnccc2=O)CCCC1	2216866273	KAQVFFGYJKYXHW-UHFFFAOYSA-N	236.275	-0.206	50	10	BBGE	
CC(C)[C@@](C)(CO)Nc1ncccc1B(O)O	2217171983	GERQPHRQMZGOIG-LLVKDONJSA-N	238.096	-0.420	50	10	BBGE	
COC[C@@H](CF)Nc1cc(B(O)O)c(C)cn1	2217184316	OJZTVSVHAVKOAK-MRVPVSSYSA-N	242.059	-0.534	50	10	BBGE	
N[C@H]1CC12CC(Oc1ncccc1B(O)O)C2	2217185430	XFTCRALNWFGMRI-DMGUCSGOSA-N	234.064	-0.980	50	10	BBGE	
CC(C)(C)[C@@H](CN)Oc1ccc(B(O)O)cn1	2217188531	PMPKCPCIYURZGM-SECBINFHSA-N	238.096	-0.486	50	10	BBGE	
CC(C)[C@@](C)(CN)Oc1ccc(B(O)O)cn1	2217189033	XFVSUJBNMYGFHA-LLVKDONJSA-N	238.096	-0.486	50	10	BBGE	
C[C@@](N)(COc1cc(B(O)O)ccn1)C1CC1	2217195223	HIYWWZQOIONNHK-LLVKDONJSA-N	236.080	-0.732	50	10	BBGE	
COC(=O)C[C@@H](C)Nc1cc(B(O)O)ccn1	2217201230	OWMWUMTXJDFFCT-SSDOTTSWSA-N	238.052	-0.875	50	10	BBGE	
CC1(C)C[C@H](Nc2ncccc2B(O)O)CN1	2217201505	QICBIIKKKJUNGC-QMMMGPOBSA-N	235.096	-0.686	50	10	BBGE	
CC(C)C[C@H](O)CNc1ncccc1B(O)O	2217203313	SLIGRDWMVAVRIB-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
OB(O)c1cccnc1NCC[C@@H]1CCOC1	2217204898	QHAYUXABZIPXOU-SECBINFHSA-N	236.080	-0.400	50	10	BBGE	
C[C@@]1(CO)C=CCN1Cc1cccc(B(O)O)c1	2221463817	MQHHUFXRAXINTN-ZDUSSCGKSA-N	247.103	-0.511	50	10	BBGE	
CS(=O)(=O)c1cscc1C(=O)NN	2242117948	HWBUKMRKNQLFSO-UHFFFAOYSA-N	220.275	-0.245	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(O)C[C@@H]2C1	2242833831	OPRJKEDDBQBLFF-CDLYGTGVSA-N	225.292	-0.931	50	10	BBGE	
C[C@H]1CN(C(=O)c2ccc(B(O)O)s2)[C@H]1C	2243357330	VDLKHAILVFOIOB-BQBZGAKWSA-N	239.105	-0.092	50	10	BBGE	
CCCN(CC(F)(F)F)C(=O)C#CB(O)O	2243362258	OKCQJWCPEBANGO-UHFFFAOYSA-N	236.986	-0.197	50	10	BBGE	
Cc1ncsc1[C@H](C)NC(=O)C#CB(O)O	2243362518	SASMHBAIPCWQOZ-ZETCQYMHSA-N	238.077	-0.356	50	10	BBGE	
C[C@H]1CN(C(=O)c2occc2B(O)O)[C@H]1C	2243363031	AFPVJSCQEYZNKP-BQBZGAKWSA-N	223.037	-0.560	50	10	BBGE	
C[C@H]1COCCN1C(=O)C1CC(B(O)O)C1	2243397134	WHHUWJFERXDHHJ-UEJVZZJDSA-N	227.069	-0.513	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@H](F)C1	2243397966	LXDHDJKBZWBURB-ZETCQYMHSA-N	243.068	-0.388	50	10	BBGE	
C[C@H](CCO)CNC(=O)C1CC(B(O)O)C1	2243413770	NCUOZWZXZSKHRT-AFPNSQJFSA-N	229.085	-0.626	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C[C@@H](C)[C@@H]1C)B(O)O	2243419793	GYQCANBOCVJCEV-BWVDBABLSA-N	247.125	-0.482	50	10	BBGE	
O=C(C#CB(O)O)NC1C[C@H]2C=C[C@H](C1)C2	2244144164	RCQRNIWUYJZXPZ-IUCAKERBSA-N	219.049	-0.527	50	10	BBGE	
C[C@]1(NC(=O)NC(=O)CCCl)CCNC1=O	2245142386	TWBAYQPDUDDOJT-VIFPVBQESA-N	247.682	-0.280	50	10	BBGE	
C[C@@H]1CC[C@H]1CNC(=O)c1ccc(B(O)O)o1	2247740520	LWRYOQDFHJRXGV-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1[C@@H]2CO)C1(B(O)O)CCC1	2247758264	UQTXOMXZKVEXGT-HLTSFMKQSA-N	239.080	-0.777	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C=CCC2)oc1B(O)O	2247790120	AOIRZOBLCABURB-QMMMGPOBSA-N	235.048	-0.284	50	10	BBGE	
CN(C[C@H](O)C1CC1)C(=O)C1CC(B(O)O)C1	2247798362	SQPYZXMQOBFUJX-RTBKNWGFSA-N	241.096	-0.531	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CC[C@@H]1O	2247798588	VPTUSJCGIWTTEL-WOOKNIGNSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(C)C[C@H](O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247798759	WXNRUKFLIBVMOY-YIZRAAEISA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC[C@H](C1)C2O	2247799662	GRLRSLGADJMCJG-QWIPYHCPSA-N	239.080	-0.921	50	10	BBGE	
Cc1nccc(CNC(=O)[C@H]2C[C@H]2B(O)O)n1	2247805923	LFGNVVIIXWGNGU-DTWKUNHWSA-N	235.052	-0.736	50	10	BBGE	
CCC1(CC)C[C@@H](NC(=O)C#CB(O)O)CO1	2247849512	AWRWGICWSWFJLY-SECBINFHSA-N	239.080	-0.534	50	10	BBGE	
C=C1CN(C(=O)c2c(F)cccc2B(O)O)C1	2247852967	DCWKXXJWTLNTQA-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)C1(B(O)O)CC1	2247855322	QMIMKJOWAUCQER-NQMVMOMDSA-N	239.080	-0.729	50	10	BBGE	
CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247858867	IRKHOXLPNLRCDC-IVZWLZJFSA-N	240.112	-0.598	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2occc2B(O)O)C1	2247878771	NANQSWZROALXRC-JGVFFNPUSA-N	237.064	-0.170	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)[C@H]1CCCOC1	2247899965	RVQXOVYWVVEHFI-QEYWKRMJSA-N	241.096	-0.219	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1C[C@H]2COC[C@@H](C2)C1	2247900409	WMNPTPYQCLAYPQ-XKNYDFJKSA-N	239.080	-0.656	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C(=O)[C@@H]2CCC[C@H]21	2247909488	JYIUOJDNDKUCCG-GEPGNKONSA-N	237.064	-0.223	50	10	BBGE	
O=C(N1CCC(B(O)O)CC1)N1C[C@H]2C[C@@H]2C1	2249343263	NTCLFEVBVMKJHQ-RKDXNWHRSA-N	238.096	-0.003	50	10	BBGE	
O=C(NCCCC(F)F)c1cocc1B(O)O	2249416620	UXUFIDWACNPBBH-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
CC1=CCCN(C(=O)c2ccncc2B(O)O)C1	2255445672	XTGIAUQHTMVSER-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
C#CC[C@H](C)CN(C)C(=O)c1occc1B(O)O	2255693638	SLCKCRRQWOAAKZ-VIFPVBQESA-N	249.075	-0.309	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H]2C[C@@H]2C)n1	2255724925	JGXNHDGAJXCQPQ-IONNQARKSA-N	248.091	-0.544	50	10	BBGE	
O=C(N[C@@H]1CCCn2ccnc21)[C@H]1C[C@H]1B(O)O	2255765811	VEJXAFRHIOHIEJ-DJLDLDEBSA-N	249.079	-0.303	50	10	BBGE	
C[C@H]1COC[C@H]1N(C)C[C@@H]1CC[C@@H]1C(=O)NN	2298164977	VAQGDTNYAQFKGX-XWLWVQCSSA-N	241.335	-0.031	50	10	BBGE	
O=C(NC[C@@H](CO)C1CCC1)[C@@H]1C[C@@H]1B(O)O	2298368687	RSASQGHJHABFND-AEJSXWLSSA-N	241.096	-0.626	50	10	BBGE	
C=C(CN1CC[C@H]2CCCN(C)[C@H]2C1)B(O)O	2299137282	OSNDMGAEASXLGQ-NEPJUHHUSA-N	238.140	-0.029	50	10	BBGE	
OB(O)c1cnc(OCc2ccncc2)nc1	2301851235	VITUBIJOKFCTPY-UHFFFAOYSA-N	231.020	-0.870	50	10	BBGE	
CN1CCC[C@H](N2CC[C@@](C)(B(O)O)C2)C1=O	2303149802	GBSJYHZKIZMFRR-GXSJLCMTSA-N	240.112	-0.454	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CC[C@@H](O)C2)ncc1F	2303834757	LIRYMWUEKZBGBF-RNFRBKRXSA-N	240.043	-0.774	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3CC[C@H]2C3)ncc1F	2303847163	DVJCPZKUINNDFT-SFYZADRCSA-N	236.055	-0.111	50	10	BBGE	
C#Cc1ncccc1NC(=O)[C@@H]1C[C@H]1B(O)O	2305015104	MHWMEQKEWKUZFC-HTQZYQBOSA-N	230.032	-0.136	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306283576	NRQWLGBURIAPTA-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2CC[C@@H]21)c1occc1B(O)O	2312849292	QFNKITDUXISCOX-NRPADANISA-N	249.075	-0.122	50	10	BBGE	
C[C@@H]1CNC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317160860	JBUGTAIYYXCIHT-PRHODGIISA-N	245.091	-0.742	50	10	BBGE	
C[C@H]1C[C@H](Nc2ccc(B(O)O)cc2C#N)CN1	2317163643	YRILGWPBYLSSAD-KWQFWETISA-N	245.091	-0.600	50	10	BBGE	
O=C(C#CB(O)O)N1CCCC[C@H]1c1ncno1	2327786356	ISPRHZFIRVQMEJ-QMMMGPOBSA-N	249.035	-0.861	50	10	BBGE	
CCN(CCOC)C[C@H](C)C(=O)NN	58849605	AUQQGUSAPGEGCZ-QMMMGPOBSA-N	203.286	-0.419	50	10	BBGE	
CCN1CCN(CCCCC(=O)NN)CC1	82466004	SHZSBMBNQNDSLH-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)CN1CCN(C)CC1	100269946	QTNURVVBJWNPOY-MDZDMXLPSA-N	222.292	-0.441	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2ccccc2=O)O1	110579100	XKZUOSIQCTVUFL-RKDXNWHRSA-N	237.259	-0.614	50	10	BBGE	
CCN(CC)C(=O)CN(C)[C@H](C)CC(=O)NN	110593701	RTQXPGKRDUVXCQ-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
NC(=O)C[C@@H](NC(=O)C(Cl)Cl)C(=O)O	169912301	BKAMBSSURZPANH-UWTATZPHSA-N	243.046	-0.765	50	10	BBGE	
O=C(CCl)NCCNC(=O)c1cnccn1	169919504	KHJSBPDKNGNVHP-UHFFFAOYSA-N	242.666	-0.439	50	10	BBGE	
NNC(=O)c1sccc1CN1CC[C@H](N)C1	203478090	ZBFUABKJFLZISI-QMMMGPOBSA-N	240.332	-0.115	50	10	BBGE	
OB(O)c1ccc(F)cc1O[C@H]1CCOC1	211674782	FCTCUVQXEDDAHI-QMMMGPOBSA-N	226.012	-0.327	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCN(C)C	211833532	VSEIIRJHYJPCTO-VIFPVBQESA-N	216.329	-0.362	50	10	BBGE	
CNC[C@@H]1CCCN(C[C@@H](C)C(=O)NN)C1	216484545	SRLUJBPMQZRTLD-ZJUUUORDSA-N	228.340	-0.456	50	10	BBGE	
COc1ccc(B(O)O)c(COC2COC2)c1	218891652	LNRLCPUMYYQXDR-UHFFFAOYSA-N	238.048	-0.710	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC[C@@H](O)C1	219255847	WCKMZQJIBYKMPL-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CC[C@H](O)[C@H]2C1	252845206	CDQGAWZXTUDQCS-KATARQTJSA-N	227.308	-0.542	50	10	BBGE	
CN1CC[C@H](C[C@@H](N)C(=O)NN(C)C)C1	259072710	NLOGBPITOPAWJE-RKDXNWHRSA-N	214.313	-0.752	50	10	BBGE	
CNC(=O)CNc1nc(N)nc(CCl)n1	306600601	ZVWYLEOLFNUMIW-UHFFFAOYSA-N	230.659	-0.650	50	10	BBGE	
O=C1NOC[C@@H]1Nc1nnc(CCCl)o1	306722287	PVXVUANESGFJSC-BYPYZUCNSA-N	232.627	-0.307	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)[C@H](CO)C1	307087794	LPKHSIQPQZBILE-XHNCKOQMSA-N	218.684	-0.208	50	10	BBGE	
CO[C@@H]1COCC[C@@H]1NS(=O)(=O)CCl	310480424	LFSAEERWVWQUCF-NKWVEPMBSA-N	243.712	-0.094	50	10	BBGE	
CNC(=O)/C(C#N)=C(/C=C/N(C)C)NC	379700630	HYCIYVXEZFJXTQ-NKEWZBFXSA-N	208.265	-0.195	50	10	BBGE	
OB(O)c1ccc2nc[nH]c2c1OC(F)F	382774801	ZTIQCFSKNMRUPI-UHFFFAOYSA-N	227.963	-0.156	50	10	BBGE	
C[C@@H]1CC(=O)N/C(=C(\C#N)C(N)=O)[C@H]1C#N	384197788	ZHIQCKNIGOYCBM-AGDATLSGSA-N	218.216	-0.455	50	10	BBGE	
CCC(=O)c1ccc(CC(=O)O)c(B(O)O)c1	396133040	NWEXJUZQSFXTRL-UHFFFAOYSA-N	236.032	-0.414	50	10	BBGE	
Nc1csc2c(B(O)O)c(C(=O)O)ccc12	396237865	GZGAKNYRRFPDQA-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
NS(=O)(=O)N1CCOCC[C@@H]1Cl	616661779	YWEMZQOHJMUPAC-RXMQYKEDSA-N	214.674	-0.523	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@H](C(=O)NN)O1	688395813	SOJFSALLOOHWAK-IVZWLZJFSA-N	245.323	-0.916	50	10	BBGE	
C[C@H](CN1CCC[C@@H](C)[C@H]1CO)C(=O)NN	688737977	OIGFUUGQIMKUOQ-OPRDCNLKSA-N	229.324	-0.295	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)C[C@H](O)C1CC1	690154485	FLYRGORYXBOODF-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CC(N(C)C)C1	695087583	PFIYPWVMOURILE-SNVBAGLBSA-N	228.340	-0.363	50	10	BBGE	
C[C@H](CCl)CNC(=O)c1nnn(C)n1	697204438	QZLMOEJCTBIFNP-RXMQYKEDSA-N	217.660	-0.185	50	10	BBGE	
CCOC[C@H](Cl)CNCc1nnnn1C	697724299	RABHAEYELCXOMP-SSDOTTSWSA-N	233.703	-0.056	50	10	BBGE	
CCn1nnnc1CN[C@@H]1COC[C@H]1Cl	697735584	VKFZBFSZEUMNTA-RNFRBKRXSA-N	231.687	-0.211	50	10	BBGE	
C[C@@]1(C(F)F)CN(CC(=O)NN)CCO1	698933393	VDFFVWGEXRBLHH-QMMMGPOBSA-N	223.223	-0.668	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnccn1	700074251	FGGHMGHZDFGSKW-ZETCQYMHSA-N	209.253	-0.713	50	10	BBGE	
C[C@@H](CN1CCC[C@H](N2CCC2)C1)C(=O)NN	702241062	WDYJOQKKTJCXQH-QWRGUYRKSA-N	240.351	-0.218	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@H]1CNOC1	703357410	QVINXIOPDDUUPW-LURJTMIESA-N	203.242	-0.081	50	10	BBGE	
O=C(NCB(O)O)c1ccoc1Br	706503027	AIELUJNIDPVJLV-UHFFFAOYSA-N	247.841	-0.216	50	10	BBGE	
COc1ccc(B(O)O)c(CN2CC[C@@H]2C)c1	706814336	HYBIGDYROAGLDJ-VIFPVBQESA-N	235.092	-0.031	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCC[C@@H]1O	708049678	ACNWKOFOBOIONM-QEYWKRMJSA-N	229.324	-0.154	50	10	BBGE	
CN(C)C[C@H](Cl)CNC(=O)c1cnn[nH]1	717297709	JFIUEHZPCCLSNU-ZCFIWIBFSA-N	231.687	-0.297	50	10	BBGE	
COCC(C)(C)CCNC(=O)C(=O)NN	718910898	SBCPTGLPXQNBON-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CC[C@@H]2COCC[C@@H]2C1	724223118	DCBTWXAUYCAHGX-IWSPIJDZSA-N	241.291	-0.702	50	10	BBGE	
NNC(=O)c1nc(COC2COC2)ns1	724344720	CRTKLFZKRIPOAO-UHFFFAOYSA-N	230.249	-0.943	50	10	BBGE	
CC(=O)NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53	800378343	GYYFPFWIBSVZIU-DFIBCWNXSA-N	246.266	-0.519	50	10	BBGE	
C=CC[C@H](NNC(=O)COCC)C(=O)OC	905758139	BSGYTRLFBCZYLN-QMMMGPOBSA-N	230.264	-0.239	50	10	BBGE	
N#Cc1ccc(C(=O)NNC(=O)CO)c(F)c1	1183078254	HTLFGJKRNJBBSJ-UHFFFAOYSA-N	237.190	-0.549	50	10	BBGE	
CNC(=O)NNC(=O)c1cnc2cccnn12	1464435024	VABVMSDQGCONRM-UHFFFAOYSA-N	234.219	-0.697	50	10	BBGE	
O=C(CC1(O)CCC1)NNc1nc[nH]n1	1472574217	PNKSHVWVRODVHP-UHFFFAOYSA-N	211.225	-0.447	50	10	BBGE	
O=C(NNC(=O)c1cc(=O)cc[nH]1)c1cc[nH]n1	1629180079	GVQNTMXEOOPQRN-UHFFFAOYSA-N	247.214	-0.827	50	10	BBGE	
NC(=O)c1ccc(NNC(=O)[C@H]2C[C@@H]2F)nn1	1650883220	OIBPQIWMBPRPOW-WHFBIAKZSA-N	239.210	-0.623	50	10	BBGE	
C#C[C@@H](CCl)NC(=O)[C@H]1COCCO1	1884831142	MTEOFXIWEDXSTH-JGVFFNPUSA-N	217.652	-0.241	50	10	BBGE	
CC=CC(=O)NN(C)S(=O)(=O)CC	1888562300	SQBAXLMLCPHFOX-UHFFFAOYSA-N	206.267	-0.125	50	10	BBGE	
CO[C@H]1C[C@@H](O)CN(S(=O)(=O)CCl)C1	1891925593	VZPCCZAOXOSHPC-RQJHMYQMSA-N	243.712	-0.406	50	10	BBGE	
CS(=O)(=O)N1CC[C@H](N=C=O)[C@H]2C[C@H]21	1892550380	UPRWFDZNOSDWPU-GJMOJQLCSA-N	216.262	-0.255	50	10	BBGE	
C#CC1(O)CN(C(=O)/C=C/C(=O)Cl)C1	1893505154	REVACXQTKQKRGK-ONEGZZNKSA-N	213.620	-0.486	50	10	BBGE	
COC(=O)[C@H](Cl)CNC(=O)[C@@H]1[C@@H]2CCO[C@@H]21	1895481602	QJVZIMYLYRIWHL-OSMVPFSASA-N	247.678	-0.082	50	10	BBGE	
CC[C@]1(C)[C@H](O)CCN1[C@@H](C)CC(=O)NN	1900188574	BMKWWBVITUAPKB-IQJOONFLSA-N	229.324	-0.010	50	10	BBGE	
CO[C@H](C)CCSc1ncncc1B(O)O	1900317309	RXWIBEQLDCJVFN-SSDOTTSWSA-N	242.109	-0.327	50	10	BBGE	
CC[C@@H]1CC[C@@H](C(=O)NNCCO)O1	1900829684	SUGWCNOWZPBTCV-SFYZADRCSA-N	202.254	-0.443	50	10	BBGE	
CN(NC(=O)[C@H]1CC=C[C@@H](N)C1)S(C)(=O)=O	1901376262	YEFDVNHQWZMYQV-JGVFFNPUSA-N	247.320	-0.798	50	10	BBGE	
Cc1nc(CN2CC[C@@](C)(B(O)O)C2)n[nH]1	1902518900	ZBZKCVUWJVATQY-SECBINFHSA-N	224.073	-0.448	50	10	BBGE	
COC[C@H](C(=O)NN)n1nc(C)c(F)c1C	1902631605	HFLJZHZRBVEGKW-SSDOTTSWSA-N	230.243	-0.184	50	10	BBGE	
OB(O)c1cc(S[C@H]2CC[C@H]2O)ncc1F	1903005221	DMOUSJYFTNEBCS-SFYZADRCSA-N	243.068	-0.484	50	10	BBGE	
COC(=O)Nc1cc(F)c(F)cc1B(O)O	1904683963	XMVPLDPHGIHJKA-UHFFFAOYSA-N	230.963	-0.177	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	1906506723	CIBOSXJKBRYGKT-DSYKOEDSSA-N	247.245	-0.226	50	10	BBGE	
COC[C@@H](C)COC(F)(F)C(=O)NN	1906604560	KEICWQIQNDKJAS-RXMQYKEDSA-N	212.196	-0.132	50	10	BBGE	
CSSCCNC(=O)C[C@@H](N)C(=O)O	1913576908	CNDWGXPLLSSILT-RXMQYKEDSA-N	238.334	-0.084	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914009868	BNLXLQWJKPMJTH-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C[C@H]1[C@H](O)CCN1C[C@@H](C)C(=O)NN	1914255070	LPLCSRWGJQAZLL-GJMOJQLCSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@H]1CCN(CCCC(=O)NN)[C@@H]1C	1914334081	FEUKYKYJTQOYHC-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](C(=O)NN)N1C[C@@H](O)[C@H](C2CC2)C1	1929066871	ZFSRAAAIDKNSEQ-CNUIFLNQSA-N	213.281	-0.933	50	10	BBGE	
O=C([C@H]1CCS1(=O)=O)N1CC(CCl)C1	1930858164	CHIQIGQYWVXNBV-SSDOTTSWSA-N	237.708	-0.129	50	10	BBGE	
CN1CC2(C1)CN(C[C@@H](O)CBr)C2	1932060922	MZQKFPIELZVIGR-QMMMGPOBSA-N	249.152	-0.010	50	10	BBGE	
NNC(=O)CCN1CC(CC(F)F)C1	1932116451	YDHXZRIFQBUWDZ-UHFFFAOYSA-N	207.224	-0.047	50	10	BBGE	
CCC(=O)NCc1sc(B(O)O)cc1C	1935196897	OWXWRKYKFDVBCN-UHFFFAOYSA-N	227.094	-0.237	50	10	BBGE	
C[C@@H]1CCN(CC(F)(F)C(=O)NN)C(=O)C1	1935927373	ZSFNONODCMDWCU-ZCFIWIBFSA-N	235.234	-0.130	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC[C@H]1CCO	1935944520	MKOHGGOGFMQGCQ-ZETCQYMHSA-N	237.250	-0.542	50	10	BBGE	
C[C@@H]1CC[C@@H](O)CN1C[C@@H]1C[C@H]1C(=O)NN	1936092875	YGVYXNQMBMDJCW-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@H](O)[C@H](F)C1	1936093413	DQLVJUYUZBFDCB-FNCVBFRFSA-N	231.271	-0.983	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccnc1[N+](=O)[O-]	1936094901	RFUQHSYKVMTQHI-PHDIDXHHSA-N	225.208	-0.583	50	10	BBGE	
CN1CCCN(C[C@H]2C[C@@H]2C(=O)NN)CC1	1936095021	SKFCXHOOCNQHCT-ZJUUUORDSA-N	226.324	-0.750	50	10	BBGE	
Cc1ccc(CN(C)CCC(=O)NN)nn1	1936647248	CQYBQZHPWQIMTH-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
CN1CC[C@@H](N(C)CC2(C(=O)NN)CC2)C1	1938247490	UJRLUSVIVGOXBK-SECBINFHSA-N	226.324	-0.608	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1CC1(C(=O)NN)CC1	1938249030	ONUVKXYFCZTDKZ-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
NC(=O)NNC(=O)C[C@H]1CN2CCC1CC2	1938323557	JWWLODMIBWTUGQ-QMMMGPOBSA-N	226.280	-0.582	50	10	BBGE	
CCN(C)[C@@H]1CCN([C@H](C)CC(=O)NN)C1	1939072724	GIWRUCWBGNQNDE-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CCC1(O)CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941082763	ILIGUQKQLIUHFC-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
CC(C)(C)CN(CCO)C[C@H]1C[C@@H]1C(=O)NN	1941086304	IIGZUIJDNJNPIJ-ZJUUUORDSA-N	243.351	-0.047	50	10	BBGE	
O=C1NC(=O)[C@@H]2CN(CCBr)C[C@@H]12	1954820930	PAZDXACBMAZMGL-PHDIDXHHSA-N	247.092	-0.414	50	10	BBGE	
CNNC(=O)C1C[C@H](OC)[C@@H](OC)C1	1957300829	FKESVGLKXZJLKQ-YUMQZZPRSA-N	202.254	-0.323	50	10	BBGE	
CN(C)CC1CC2(CCN2C(=O)NN)C1	1958805021	OITXMKXUXKBUQS-UHFFFAOYSA-N	212.297	-0.014	50	10	BBGE	
CC(C)(CN1CCC12COC2)C(=O)NN	1961509848	WJDXLHKHWHYEIX-UHFFFAOYSA-N	213.281	-0.523	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CC1(C)C	1961520271	NESQSLHBFNBCEV-HTQZYQBOSA-N	215.297	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(O)(C(F)F)C1	1961593792	AQGOLLQVYBYEIP-RXMQYKEDSA-N	223.223	-0.933	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@@H]2C[C@H]2C)n1	1961686166	BGGORTGLVUXQLB-SVGQVSJJSA-N	208.026	-0.748	50	10	BBGE	
CCO[C@@H]1CC[C@@H](C(=O)NCB(O)O)C1	1962367405	NBJQFLXZADXZBW-HTQZYQBOSA-N	215.058	-0.680	50	10	BBGE	
C#C[C@H](CCl)NC(=O)CCn1cnnn1	1974785190	ISOPYHSAVKSWOI-SSDOTTSWSA-N	227.655	-0.580	50	10	BBGE	
CCn1ncnc1CN(C)[C@H](C)C(=O)NN	1980040629	XIKSHQHTDULLLP-SSDOTTSWSA-N	226.284	-0.892	50	10	BBGE	
C[C@H](C(=O)NN)N(C)CCCn1cccn1	1980760054	MLWUUFGXKRAIAH-SECBINFHSA-N	225.296	-0.417	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H]2CCC[C@H]21	1981422908	VRLMPBSLIZKLKL-WCBMZHEXSA-N	218.065	-0.250	50	10	BBGE	
C[C@@H]1CN(c2ccncc2B(O)O)CCS1	1981425658	ITLFNGKUUINPKC-MRVPVSSYSA-N	238.121	-0.297	50	10	BBGE	
C[C@H]1CCN(c2ccncc2B(O)O)[C@H]1C	1981427077	RZNXETSATWAKIB-IUCAKERBSA-N	220.081	-0.004	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)CC2CC2)n1	1981468480	CIQDUNXSYZNMSS-UHFFFAOYSA-N	221.069	-0.689	50	10	BBGE	
Cc1nc(N2C[C@@H](C)[C@H]2C)ccc1B(O)O	1981469130	MZYIWSYNEHMBDU-VXNVDRBHSA-N	220.081	-0.086	50	10	BBGE	
C[C@H](Cl)CC(=O)N1CCC(O)(C(N)=O)CC1	1982342932	HEHUQWAVMOYAQX-ZETCQYMHSA-N	248.710	-0.157	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCC[C@H]1F	1982677576	BEHKHFGZWDYYAG-BDAKNGLRSA-N	233.287	-0.185	50	10	BBGE	
CC(C)(CN1CC=CC[C@H]1CO)C(=O)NN	1983179132	JMYGRLBHPKWKCC-VIFPVBQESA-N	227.308	-0.375	50	10	BBGE	
Oc1nc(C2CN(C[C@H](O)CCl)C2)c(O)[nH]1	1986666326	UEMTZFKPLGCBDW-ZCFIWIBFSA-N	247.682	-0.180	50	10	BBGE	
CN1CCO[C@@H]2CCN(C[C@@H](O)CCl)C[C@H]21	1986849701	UAPSIXNVYVAVKA-HBNTYKKESA-N	248.754	-0.009	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@H](CO)C12CC2	1988762864	XJGADMPJZXCHDA-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CC(C)(O)[C@@H]1CCN1C[C@H]1C[C@@H]1C(=O)NN	1989120423	YYNLNQOEPYDEQF-VGMNWLOBSA-N	227.308	-0.542	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2OC(=O)N[C@@H]2C1	1991653229	XAEMHEKGUXDTKE-RITPCOANSA-N	244.634	-0.373	50	10	BBGE	
COC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1C[C@H]1Cl	1991678575	GMVVGQIUROOYTR-JKUQZMGJSA-N	249.650	-0.254	50	10	BBGE	
O=C(O)C1CC(O)(CNC(=O)[C@H]2C[C@@H]2Cl)C1	1991685601	BDDNXARRAWDHNZ-HTYJUZMNSA-N	247.678	-0.044	50	10	BBGE	
C=C(Cn1cnc(C(C)C)cc1=O)B(O)O	1992159628	NNIBBZUBRNSOLF-UHFFFAOYSA-N	222.053	-0.065	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2C[C@@H](C1)C2	1992341360	HEFADKIBLRXVMC-OCAPTIKFSA-N	219.053	-0.997	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1ncc(B(O)O)cn1	1996645834	OUHYTSAIIQFRRV-QUBYGPBYSA-N	235.052	-0.859	50	10	BBGE	
C[C@@]1(F)CCCN(c2ncncc2B(O)O)C1	2004916681	OHRQGUKLZGUCFR-SNVBAGLBSA-N	239.059	-0.515	50	10	BBGE	
CN(C[C@@H]1CC12CC2)c1ccc(B(O)O)cn1	2004918242	JFUOUSDLZDVCTM-VIFPVBQESA-N	232.092	-0.002	50	10	BBGE	
Cc1nc(N2C3CCC2CC3)ncc1B(O)O	2004974959	RRYDYXDRNABRAY-UHFFFAOYSA-N	233.080	-0.404	50	10	BBGE	
N#CCN(CC#N)C[C@@H]1CC[C@@H](C(=O)NN)C1	2010834592	FGODIFLBMSFUBQ-NXEZZACHSA-N	235.291	-0.258	50	10	BBGE	
CC(C)c1nc(C(=O)NCC#CB(O)O)co1	2021106556	HNYMXGOWNJOIBO-UHFFFAOYSA-N	236.036	-0.457	50	10	BBGE	
C=C(CN(C)C[C@]12COC[C@@H]1C2(F)F)B(O)O	2021158567	FLAFBMTVIOQEQQ-IUCAKERBSA-N	247.050	-0.232	50	10	BBGE	
CCN(C)CCOCc1ccc(B(O)O)cc1	2022710677	YGLDTOFXWGQGIB-UHFFFAOYSA-N	237.108	-0.165	50	10	BBGE	
CC[C@@H]1C[C@]1(N)C(=O)N1CCC(O)(C#N)CC1	2025665894	SXOHGVSSVTVMMX-BXKDBHETSA-N	237.303	-0.009	50	10	BBGE	
N[C@H]1[C@@H]2CN(CC(=O)NNc3ccccn3)C[C@H]12	2045671494	NGNORWFBCGCLNO-GDGBQDQQSA-N	247.302	-0.586	50	10	BBGE	
Cc1ncnc(N2CC[C@H](C3CC3)C2)c1B(O)O	2052554507	VMGALNRZTXVADV-JTQLQIEISA-N	247.107	-0.299	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@@H]3[C@@H](C2)C3(C)C)n1	2052621923	NIBPPEDPYYJWKY-RKDXNWHRSA-N	247.107	-0.443	50	10	BBGE	
CCCN(CCO)C[C@H]1CC[C@@H]1C(=O)NN	2211828460	ZZQYGYJUXIBEMB-ZJUUUORDSA-N	229.324	-0.293	50	10	BBGE	
C=CCOC(=O)NCc1ccccc1B(O)O	2216295139	QKBJJSYFUAKJJR-UHFFFAOYSA-N	235.048	-0.221	50	10	BBGE	
OC[C@H](Nc1ccc(B(O)O)cn1)C1CCC1	2217172884	NISSGEKDQPVIAO-JTQLQIEISA-N	236.080	-0.666	50	10	BBGE	
CO[C@@]1(C)C[C@H]1Nc1cc(B(O)O)c(C)cn1	2217180251	GFUMCSZAYPDTDK-KOLCDFICSA-N	236.080	-0.341	50	10	BBGE	
Cc1cnc(N(C)C[C@@H]2C[C@H]2F)cc1B(O)O	2217183840	LDZBOWKQDKNASS-WCBMZHEXSA-N	238.071	-0.136	50	10	BBGE	
C[C@H]1CCO[C@@H]1COc1cc(B(O)O)ccn1	2217186453	KPLXCOKGYYFEII-WCBMZHEXSA-N	237.064	-0.435	50	10	BBGE	
CN1CCC[C@@H]1COc1cc(B(O)O)ccn1	2217188381	NJZZBIHXSULIRH-SNVBAGLBSA-N	236.080	-0.766	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C2C[C@H]3C[C@@H]3C2)n1	2222644453	ADUHOPVYBHJTMJ-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
C#CCCN(CCOC)c1ccc(B(O)O)cn1	2223631880	CBDWMXAQKHFAOL-UHFFFAOYSA-N	248.091	-0.763	50	10	BBGE	
Cc1nn(C)cc1CNc1ncccc1B(O)O	2223633127	SLXFIFDGGWSQNY-UHFFFAOYSA-N	246.079	-0.585	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@@H]2C2CC2)nc1	2223643983	COVMAKIXQCJLCY-JQWIXIFHSA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@@H]3C[C@H]32)cc1B(O)O	2223647009	RXVKYZWNEAUPES-JMJZKYOTSA-N	247.107	-0.768	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3CNC[C@H]2C3)nc1	2223670226	UQTWMTZJAQXFOL-IQJOONFLSA-N	247.107	-0.829	50	10	BBGE	
COC[C@H](C)NC(=O)C1(B(O)O)CC1	2241473616	MZTKDBPDDSIAKW-LURJTMIESA-N	201.031	-0.856	50	10	BBGE	
CC(C)S[C@@H]1CCN(C(=O)C#CB(O)O)C1	2243361541	CQEDWOMSTNPKEM-SECBINFHSA-N	241.121	-0.256	50	10	BBGE	
CCn1ccc(=NC(=O)C2(B(O)O)CC2)[nH]1	2243364390	WOLRJVVPMYINFA-UHFFFAOYSA-N	223.041	-0.730	50	10	BBGE	
O=C(N[C@@H]1C=CCNC1)C1(B(O)O)CCC1	2243364825	CQKIJNHTPMUZMS-MRVPVSSYSA-N	224.069	-0.972	50	10	BBGE	
O=C(NC1CC1)c1c(F)cccc1B(O)O	2243366378	BIVNOJZUVVQXIV-UHFFFAOYSA-N	223.012	-0.602	50	10	BBGE	
C[C@H]1CNC[C@@H](C)N1C(=O)[C@H]1C[C@@H]1B(O)O	2243392645	VRILRHRFFXPYBC-KZVJFYERSA-N	226.085	-0.942	50	10	BBGE	
C[C@H](CO)[C@@H](C)NC(=O)C1(B(O)O)CCC1	2243397752	ILSUBWZDWBRWDK-HTQZYQBOSA-N	229.085	-0.483	50	10	BBGE	
CN(CC[C@@H]1CC1(F)F)C(=O)C#CB(O)O	2243400045	UXAPTCJPLJVURQ-SSDOTTSWSA-N	231.007	-0.495	50	10	BBGE	
CCN[C@@H](C)CNC(=O)C1(B(O)O)CCC1	2243409413	HLBRDLFJTFOBJW-QMMMGPOBSA-N	228.101	-0.502	50	10	BBGE	
C[C@]1(CNC(=O)C2(B(O)O)CC2)CCNC1	2243409828	PQIWQFMDHLCNTQ-VIFPVBQESA-N	226.085	-0.891	50	10	BBGE	
O=C(NCCCOC(F)F)C1(B(O)O)CC1	2243411741	ZHJMLRICFGDAJT-UHFFFAOYSA-N	237.011	-0.261	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1CC[C@H](C)C1)B(O)O	2243412932	WIUBIYXVLOLELA-IONNQARKSA-N	247.125	-0.337	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CSC2)C1	2243427474	WHEMIGPWHSNJSY-ZKCHVHJHSA-N	241.121	-0.185	50	10	BBGE	
OCC1(CO)C[C@H](O)[C@H](N[C@H]2C[C@H](Cl)C2)C1	2244013154	YJADRSBMRNTXMJ-KYXWUPHJSA-N	249.738	-0.160	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cocc1B(O)O	2244204831	AZZJGFFNWGPGPS-LURJTMIESA-N	229.016	-0.611	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C[C@H]2COC[C@H]1C2	2244493665	XFWPGQDBMKLMJE-JLIMGVALSA-N	225.292	-0.667	50	10	BBGE	
CC#CCOC[C@H]1CCC[C@H](C(=O)NN)O1	2245363002	LOMBURBGCQPORJ-NXEZZACHSA-N	226.276	-0.046	50	10	BBGE	
OB(O)c1ccc(OCC[C@H]2CCO2)cc1	2246215479	BQNHVRHUVBYMHW-NSHDSACASA-N	222.049	-0.076	50	10	BBGE	
Cn1ccnc1CNC(=O)C1(B(O)O)CCC1	2247723298	SDOVEOXDFYTUJG-UHFFFAOYSA-N	237.068	-0.567	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)C1(B(O)O)CCC1	2247732161	CPMLMBRVHZVFLJ-QMMMGPOBSA-N	243.112	-0.093	50	10	BBGE	
C=C[C@@H]1CCN(C(=O)c2ccoc2B(O)O)C1	2247738306	PWNBAKVOYJMOIV-MRVPVSSYSA-N	235.048	-0.393	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCOCC1(C)C	2247741198	WFGIPBVJDJNDCJ-SECBINFHSA-N	239.080	-0.725	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N[C@@H]2C[C@@H]2C)c1	2247752806	WFCJYMWIBXAGJU-GZMMTYOYSA-N	233.076	-0.187	50	10	BBGE	
CC1(C)CCN[C@@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2247807397	HWNDKKLBZIIKTO-DJLDLDEBSA-N	240.112	-0.646	50	10	BBGE	
CC[C@H]1C[C@@H](N(C)C(=O)C#CB(O)O)CCO1	2247849464	AEAVIWSQJSWWHS-UWVGGRQHSA-N	239.080	-0.582	50	10	BBGE	
N#CCCNC(=O)c1c(F)cccc1B(O)O	2247853487	MUDIWIGCCCQYQH-UHFFFAOYSA-N	236.011	-0.851	50	10	BBGE	
O=C(N[C@@H]1CN2CCC1CC2)C1(B(O)O)CC1	2247855897	ZUAFJRWHHPUUSG-SECBINFHSA-N	238.096	-0.796	50	10	BBGE	
CCCONC(=O)c1cc(B(O)O)cn1CC	2247867365	DCJNPTVUCDEFIR-UHFFFAOYSA-N	240.068	-0.741	50	10	BBGE	
CC[C@@H](C)NC(=O)c1nc(C)ccc1B(O)O	2247870934	SMVFQHLCWGPHNI-SSDOTTSWSA-N	236.080	-0.402	50	10	BBGE	
NCC[C@@H]1CC[C@H](NC(=O)C2(B(O)O)CC2)C1	2247878931	QIXXOWFNOSAMOO-IUCAKERBSA-N	240.112	-0.373	50	10	BBGE	
C[C@](O)(CNC(=O)C1(B(O)O)CCC1)C1CC1	2247879803	VZNGOZIMUVHLRS-JTQLQIEISA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCN[C@H]21)C1CC(B(O)O)C1	2247892590	DEEZJBPDIMJGDX-ANQZYXBKSA-N	238.096	-0.894	50	10	BBGE	
CC[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894542	HXSYSEFCIBDVDE-OPRDCNLKSA-N	242.128	-0.304	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)[C@@H]1C[C@@H]1B(O)O	2247899919	RKMJTIIISHWKRJ-DOAIJALUSA-N	235.092	-0.133	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)O)N1C(=O)C1CC(B(O)O)C1	2248580468	YNXPOEVYRCBAFH-LFHVAVFRSA-N	241.052	-0.687	50	10	BBGE	
CN(Cc1ccnnc1)CC1(C(=O)NN)CC1	2251561592	XSVLMAHJYPOUOH-UHFFFAOYSA-N	235.291	-0.322	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@H]3C[C@H]32)n1	2254694696	BWTXNMPSXAXPBR-WCBMZHEXSA-N	248.091	-0.241	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1ccncc1B(O)O	2255449001	JMLACPZOGJUYOF-KCJUWKMLSA-N	248.091	-0.368	50	10	BBGE	
N[C@@H]1C[C@@H]1c1ccc(NC(=O)C#CB(O)O)cc1	2255462515	WJCRATHDYOZFQE-GHMZBOCLSA-N	244.059	-0.545	50	10	BBGE	
CCn1cc(NC(=O)c2occc2B(O)O)cn1	2255489512	UPUDWSMABTYAHG-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
COc1ccc(C(=O)NCC2CC2)cc1B(O)O	2255500878	NNUNZCOKPJUGGR-UHFFFAOYSA-N	249.075	-0.485	50	10	BBGE	
O=C(N[C@H]1CCC2(CC2)C1)c1n[nH]cc1B(O)O	2255547873	JDZQARJYZSTMGP-ZETCQYMHSA-N	249.079	-0.848	50	10	BBGE	
Cn1cnc2c1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)CC2	2255584151	UNEZAYZXCCVFDR-SFYZADRCSA-N	249.079	-0.832	50	10	BBGE	
C[C@@H](Cc1ccc(F)cc1)NC(=O)C#CB(O)O	2255681865	YGWBBYAQDVMGFQ-VIFPVBQESA-N	249.050	-0.112	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)c1occc1B(O)O	2255691935	RACAQSUQPULLGM-OYNCUSHFSA-N	247.059	-0.346	50	10	BBGE	
Cc1cc(NC(=O)c2occc2B(O)O)n(C)n1	2255738108	NXBXNLFVGITGHD-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(Nc1ncccc1O)c1ccc(B(O)O)o1	2256909797	GNJCQXHCFBKPCG-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C#CC#CC(C)(C)NC(=O)c1cc(B(O)O)co1	2258129075	UZLKWYDYVLSZCF-UHFFFAOYSA-N	245.043	-0.896	50	10	BBGE	
C[C@H]1C[C@@H](O)CN(C[C@@H]2CC[C@H]2C(=O)NN)C1	2298165404	ZSJJLCRRYFKTBV-UKKRHICBSA-N	241.335	-0.295	50	10	BBGE	
N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376368	UFAFTTDMFHIODS-RXKWGBCNSA-N	238.096	-0.813	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CO[C@H]1C2)C1CC(B(O)O)C1	2298559474	CPBRKKIUFNEFIB-GCPOWRFASA-N	239.080	-0.467	50	10	BBGE	
CC[C@]1(C)[C@@H](O)CCN1C(=O)C1(B(O)O)CC1	2299936454	SSPJODXJSFUHEA-WCBMZHEXSA-N	241.096	-0.245	50	10	BBGE	
O=Cc1ccc(NC[C@H]2C[C@@H]2F)cc1B(O)O	2301421707	YDPGBBBXXGPWAJ-KCJUWKMLSA-N	237.039	-0.051	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC([C@@H](F)CO)C1	2302054424	DRDPQECWWWZFET-WPRPVWTQSA-N	247.314	-0.203	50	10	BBGE	
CN(C)[C@H]1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	2302402778	BKHIKWPJQNAWBD-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
CN1CC[C@@H](CN2CC[C@](C)(B(O)O)C2)C1=O	2303162496	UEFQTYZXNJRBBR-ONGXEEELSA-N	240.112	-0.597	50	10	BBGE	
CO[C@H]1C[C@@H](NC(=O)N2CC[C@@H](B(O)O)C2)C1	2303165342	IGGVWZINHZCCFI-HLTSFMKQSA-N	242.084	-0.578	50	10	BBGE	
CC[C@](C)(CN1C[C@H](O)C2(CC2)C1)C(=O)NN	2303424443	RNKNNZGUSCUQOG-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CCC1(Nc2cc(B(O)O)c(F)cn2)CNC1	2303847041	BSVFAQATKDMNSE-UHFFFAOYSA-N	239.059	-0.936	50	10	BBGE	
NC[C@@H]1CC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303848101	UCMFMCLRNWRTGI-IMTBSYHQSA-N	239.059	-0.950	50	10	BBGE	
CC(=O)N(C)C1CN([C@@H](C)[C@@H](C)C(=O)NN)C1	2307926334	YYELYBKCWCAAQQ-SFYZADRCSA-N	242.323	-0.837	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2C=C[C@@H]1C2	2312856543	YQLFHPDNZWAGLV-RKDXNWHRSA-N	247.059	-0.250	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC(N)CC1	2317162318	JEDHBJWARXWFKE-UHFFFAOYSA-N	245.091	-0.834	50	10	BBGE	
CO[C@H]1C[C@H]1CNc1ccc(C=O)c(B(O)O)c1	2317307783	DZRSEXPZUPXQIV-CABZTGNLSA-N	249.075	-0.374	50	10	BBGE	
O=C(CCl)NC(=O)N[C@@H]1CCCNC1=O	50398460	BCGCNAYDSFUNRJ-RXMQYKEDSA-N	233.655	-0.670	50	10	BBGE	
[C-]#[N+][C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO	55817327	KEPYLRFTUFPYBU-ZXFLCMHBSA-N	237.215	-0.896	50	10	BBGE	
CCCCN(CCO)C[C@H](C)C(=O)NN	58838354	UNTPPZCHAMARLH-VIFPVBQESA-N	217.313	-0.293	50	10	BBGE	
CCN(CCN(C)C)C[C@@H](C)C(=O)NN	58850877	FBLXUUYOJQLWJB-SECBINFHSA-N	216.329	-0.504	50	10	BBGE	
NCCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	85314616	WVOGZMCGWDTSKN-YUMQZZPRSA-N	233.337	-0.394	50	10	BBGE	
C[C@H](C(=O)O)[C@H](C)N(C(N)=O)N(C)C	101250606	QSEXPMNFRZYLNF-WDSKDSINSA-N	203.242	-0.047	50	10	BBGE	
CO[C@H]1C[C@H](C(=O)O)N(C(=O)NN(C)C)C1	149131675	CSLHUZGAEVEUKQ-NKWVEPMBSA-N	231.252	-0.654	50	10	BBGE	
Cc1cnn(CCOc2ccc(B(O)O)cc2)c1	199013787	ONXJBWHBUHSNFX-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
O=COCC/C=C/c1cccc(B(O)O)c1	208608520	NEUGGNDWKBEBQR-DAFODLJHSA-N	220.033	-0.057	50	10	BBGE	
N#C/C(=C/NCCO)C(=O)NCCCCl	217235544	JLCGLVBLIWZNSV-FPLPWBNLSA-N	231.683	-0.279	50	10	BBGE	
NNC(=O)CCN1CCC[C@@H](CCO)C1	227444634	QKCLNCSHLQUQEJ-VIFPVBQESA-N	215.297	-0.539	50	10	BBGE	
NC(=O)[C@H](O)CNC(=O)CCCCCl	228652437	GTSTZHMQGBHYDH-ZCFIWIBFSA-N	222.672	-0.642	50	10	BBGE	
CCN(C)c1ncc(B(O)O)cc1Cl	238240911	WQOZFQMKUYMUIH-UHFFFAOYSA-N	214.461	-0.129	50	10	BBGE	
CN(N)C(=O)C[C@H](N)c1ccc2c(c1)CC(=O)N2	259082219	OGPUJGROJLTSEX-VIFPVBQESA-N	248.286	-0.097	50	10	BBGE	
COC(=O)N(C)NC(=O)[C@@H]1CCCCC(=O)N1	286268506	HZBWIFODZDIPBK-ZETCQYMHSA-N	243.263	-0.225	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@H]1CS2)C(=O)NN	306255313	VIGPBTYPTSUYND-GJMOJQLCSA-N	215.322	-0.198	50	10	BBGE	
Nc1ccc(NC(=O)C(F)(F)F)cc1B(O)O	307258980	CDKKYJROTZIBLR-UHFFFAOYSA-N	247.969	-0.551	50	10	BBGE	
Nc1cc(B(O)O)c2sccc2c1O	307486405	AWWKOISTGYHYDW-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C1CN(Cc2csnn2)CC(=O)O1	307646374	MSTJRXOFEHVJBB-UHFFFAOYSA-N	213.218	-0.577	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1CCN(C)C1	309288560	PJPKQTMWMBZGPA-VHSXEESVSA-N	228.340	-0.363	50	10	BBGE	
NCCNC(=O)NNC(=O)c1ccccc1	390608746	YUTZXGAMDQDLRB-UHFFFAOYSA-N	222.248	-0.411	50	10	BBGE	
CCOC(=O)c1cccc(CCC#N)c1B(O)O	396138717	PWVFSHUMSHPZIH-UHFFFAOYSA-N	247.059	-0.001	50	10	BBGE	
Nc1c(B(O)O)cc(C=O)c2ccsc12	396234715	FCFJFQFJIPWEMX-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CO[C@@]1(CO)CCCN(C[C@@H](C)C(=O)NN)C1	402834271	IHAMFBMXYLURDB-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
CN(C)C(=O)Nc1ccc(B(O)O)c(F)c1	405159046	ZUNHTZORNBVUPY-UHFFFAOYSA-N	226.016	-0.401	50	10	BBGE	
CC[S@@](=O)Nc1ccc(B(O)O)cc1F	405190956	VHKMZLYWAMZQBW-OAHLLOKOSA-N	231.057	-0.399	50	10	BBGE	
COC(=O)NNC(=O)[C@H]1[C@H]2OCCC[C@@H]21	497263431	KROBPEFKAIGSQP-QYNIQEEDSA-N	214.221	-0.201	50	10	BBGE	
COC[C@H](C)CN1CC[C@@H](B(O)O)C1	585076129	LCDHFSYKIILWHH-RKDXNWHRSA-N	201.075	-0.182	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@](C)(CO)C1	688028692	ZTZBBBHEIUDXCQ-KOLCDFICSA-N	229.324	-0.151	50	10	BBGE	
C[C@H]1CNC[C@@H]1C(=O)N1CCC(O)(C#N)CC1	692124647	NNCINBDFKIMGIJ-UWVGGRQHSA-N	237.303	-0.281	50	10	BBGE	
O=C(OCCl)N1C[C@@H](O)[C@H](CO)C1	692897612	YALNJZVNUQNZHR-NTSWFWBYSA-N	209.629	-0.396	50	10	BBGE	
CC(C)(CN1CC[C@H](C#N)C1)C(=O)NN	693988180	WCPJQQINZOXEHE-MRVPVSSYSA-N	210.281	-0.152	50	10	BBGE	
CN(C)NC(=O)N1CCS[C@@H](C(=O)O)C1	699212299	GVMREZWWDGZONN-ZCFIWIBFSA-N	233.293	-0.325	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@H]2COC[C@@H]21	700622493	WJOTVWJUSFALGR-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CCn1cccn1	707432427	XFBOFPHWHZXRFP-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
CC(C)C1(O)CCN([C@H](C)C(=O)NN)CC1	710247950	YDHWAJQFBKAOQP-SECBINFHSA-N	229.324	-0.152	50	10	BBGE	
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCl)C1	714247950	IMGBEIPGLPOPGZ-IZLXSQMJSA-N	225.697	-0.083	50	10	BBGE	
CC/C=C(/C)C(=O)NNC(=O)c1cnn[nH]1	729457882	ZPMFZECMZKNLPO-XQRVVYSFSA-N	223.236	-0.078	50	10	BBGE	
CN1CC[C@@H](C(=O)NNc2ncccn2)C1	729518089	CYCSAEDGVKEYJZ-MRVPVSSYSA-N	221.264	-0.129	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCOC1	731852214	MFJCIAWABDSVPC-ZETCQYMHSA-N	238.247	-0.484	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)C2CCC2)nn1	809678254	ZIUWURUOYNFJCN-UHFFFAOYSA-N	223.236	-0.624	50	10	BBGE	
CNC(=O)NNC(=O)[C@@H]1CC[C@H](OC)C1	823424963	IFSLCOOSMDYCKK-RQJHMYQMSA-N	215.253	-0.238	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)NC(C)C	824403787	BCGSGNWDORFCRO-VIFPVBQESA-N	215.253	-0.338	50	10	BBGE	
CN(C)CC(=O)NN=Cc1cnn2c1CCC2	853301611	JMVJSGWCBPIXBO-UHFFFAOYSA-N	235.291	-0.159	50	10	BBGE	
CC[C@H](O)CC(=O)NNC(=O)c1cn[nH]c1	862469708	SGJLVHIPLCPPJT-ZETCQYMHSA-N	226.236	-0.668	50	10	BBGE	
Cc1c[nH]ccc1=NNC(=O)[C@H]1CC(=O)N(C)C1	862504348	YQVJKKQVNKOVMO-VIFPVBQESA-N	248.286	-0.267	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1ccsc1=O	886005317	KNDZTFCYKYLAPJ-RITPCOANSA-N	213.262	-0.464	50	10	BBGE	
C/C=C\[C@H](O)C(=O)NNC(=O)[C@H]1CCCO1	908381004	SLGCFBJSXSSEKG-JCIYNLPVSA-N	228.248	-0.750	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cnn(C)c1	933087411	BXZKWWGNNGCHEB-HTQZYQBOSA-N	238.247	-0.784	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)NNC(=O)C(C)(C)C	1334781721	YFSLQFCZOQSTTP-YUMQZZPRSA-N	244.291	-0.016	50	10	BBGE	
NC(=O)CCCCC(=O)NNC(=O)C1CCC1	1343129644	YKTZXPBLNMHJCQ-UHFFFAOYSA-N	241.291	-0.020	50	10	BBGE	
CC(=O)NNC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3	1346141349	MCZVIFNGEFODGY-RFOGZPIASA-N	237.259	-0.932	50	10	BBGE	
COCCN(C)NC(=O)Cc1nnc(C)o1	1449369625	KVVDZJIMWCLMQB-UHFFFAOYSA-N	228.252	-0.470	50	10	BBGE	
O=C(NNC(=O)c1cc(CO)on1)NC1CC1	1543956313	RDMLOJBRSVXDAJ-UHFFFAOYSA-N	240.219	-0.727	50	10	BBGE	
C[C@H](C#N)C(=O)NNC(=O)c1cnsn1	1558282180	MVZVIEPQKCHGLR-SCSAIBSYSA-N	225.233	-0.541	50	10	BBGE	
CN(NC(=O)c1cn(C)ccc1=O)C(N)=O	1632039513	PWHRPCJBFSPUNB-UHFFFAOYSA-N	224.220	-0.959	50	10	BBGE	
CCn1cc(CC(=O)NNc2ccn(C)n2)nn1	1638665488	FTSVDLLFHWPJEE-UHFFFAOYSA-N	249.278	-0.283	50	10	BBGE	
CC(=O)c1cncc(C(=O)NNC(=O)CO)c1	1654450788	DMRCEGUISWUXCJ-UHFFFAOYSA-N	237.215	-0.963	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@H](O)C[C@H]1CO	1877820469	DFLQWSSXASBBOX-GJMOJQLCSA-N	221.684	-0.042	50	10	BBGE	
N=c1[nH][nH]c(=NC[C@H]2C[C@@H]2Br)[nH]1	1881373533	MVSXGDPZGYVAMK-DMTCNVIQSA-N	232.085	-0.166	50	10	BBGE	
CS(=O)(=O)C[C@@H](N)C(=O)CBr	1886387008	GDBBZUMFGVOTRP-SCSAIBSYSA-N	244.110	-0.678	50	10	BBGE	
N=C(CN1CCN(C(=O)F)CC1)NO	1887187020	VWFMQSMTPPRZDA-UHFFFAOYSA-N	204.205	-0.350	50	10	BBGE	
C=C(CCl)CN1CCNC(=O)C1=O	1891993458	GQUMCZQLYNWGDU-UHFFFAOYSA-N	202.641	-0.260	50	10	BBGE	
O=C(NCCc1nn[nH]n1)[C@@H]1C[C@@H]1Cl	1893469633	KZJITURGICZTAG-UHNVWZDZSA-N	215.644	-0.514	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1O[C@H]2CC[C@H]1C2	1893711462	PESONHIKUQBWCR-HCWXCVPCSA-N	215.278	-0.582	50	10	BBGE	
CC(C)S(=O)(=O)N(C)[C@@H](C)CC(=O)NN	1893854908	UMOFOQHOWUDWKF-ZETCQYMHSA-N	237.325	-0.575	50	10	BBGE	
C[C@@H](CC(=O)NN)n1ccc(O)cc1=O	1893866781	ZGBYCCRVKZHZIS-LURJTMIESA-N	211.221	-0.505	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(C)(F)F)C(=O)C(=O)NN	1894595486	OYNOPWFIOGVEBN-NTSWFWBYSA-N	235.234	-0.274	50	10	BBGE	
N#CC1(O)CCN([C@@H]2C[C@@H](N)C[C@H]2O)CC1	1894710465	MWJKXOMQFRHWGF-OPRDCNLKSA-N	225.292	-0.813	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H]1CN2C	1896271399	AOEVFAXPNBEXCT-GUBZILKMSA-N	226.324	-0.467	50	10	BBGE	
CNC(=O)CSCCC[C@@H]1C[C@@H]1C(=O)NN	1900532755	CBYLKYHUDZXBKX-SFYZADRCSA-N	245.348	-0.128	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1[C@](C)(O)C2	1901323798	NRMIQUOLBRJWLD-FTYOSLGDSA-N	227.308	-0.400	50	10	BBGE	
CC[C@](C)(CN1CC(N(C)C)C1)C(=O)NN	1902716510	SYDUSTUHWFUNTI-LLVKDONJSA-N	228.340	-0.362	50	10	BBGE	
CO[C@@H]1COC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1907692552	QURWANAGXQHLNK-RBXMUDONSA-N	241.243	-0.683	50	10	BBGE	
C[C@@H]1C[C@@H]1CCCOc1ncc(B(O)O)cn1	1908604096	UVKRSDCURXASRO-BDAKNGLRSA-N	236.080	-0.029	50	10	BBGE	
C[C@@H]1C[C@H](OC[C@@H]2CC[C@H](C(=O)NN)O2)CO1	1908719901	VGGRXNVMZGJVOO-XFWSIPNHSA-N	244.291	-0.282	50	10	BBGE	
C[C@H](CN1C(=O)[C@@H]2[C@@H](C1=O)C2(C)C)C(=O)NN	1912236242	GJWZKZNAKNEEGJ-VQVTYTSYSA-N	239.275	-0.747	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc2ccccc2n1	1925942880	NZXDMLDLTCFJIC-UHFFFAOYSA-N	244.254	-0.159	50	10	BBGE	
CCON(C)C[C@@H]1CC[C@@H](C(=O)NN)O1	1928678589	WTCOZZILAUMNLG-YUMQZZPRSA-N	217.269	-0.593	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2CC1(C)C2	1929073721	BJODKIDYMHRCAK-ZCUBBSJVSA-N	213.281	-0.524	50	10	BBGE	
CC(C)(C)OC(=O)NN[C@H]1COC[C@@H]1N	1930129900	GCPMWDASCFQCQQ-BQBZGAKWSA-N	217.269	-0.258	50	10	BBGE	
Cn1nnc(C(=O)NC[C@@H](Cl)CF)n1	1930551316	QSVCLAIDTFKWBR-BYPYZUCNSA-N	221.623	-0.483	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H](CO)C1(C)C	1931526539	KMNOVPITUXXOGJ-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
O=C(NCB(O)O)C12CCC(F)(CC1)C2	1935472396	UXWICJRMEJWYHO-UHFFFAOYSA-N	215.033	-0.213	50	10	BBGE	
CC1(C)CCN(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936082678	FVSGINZPOKDCBW-JGVFFNPUSA-N	225.292	-0.129	50	10	BBGE	
CC1(C)CN(CC2(C(=O)NN)CC2)CCO1	1938246672	KMAXVFBFRRHMPV-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](CO)C[C@@H]1C	1939637522	HEKNRFRJEANDKY-XKNYDFJKSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941087230	WCFOVCGAWYBITG-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CCCO	1941092932	DIECXQBSYVHAPY-HBNTYKKESA-N	241.335	-0.151	50	10	BBGE	
CCN(CCOCC(=O)NN)[C@H]1CCCOC1	1941772234	GHAULJCUVBHWPN-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
C[C@]1(O)CCNC[C@H]1N1CCC(O)(C#N)CC1	1942973196	BTSMAOMGFZGSSA-MNOVXSKESA-N	239.319	-0.550	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CCOC)CC1	1949127726	IXIMIPAQNLZHDF-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
CCOc1ncc(B(O)O)cc1Br	1954086218	PISDQVCRIWEQGN-UHFFFAOYSA-N	245.869	-0.077	50	10	BBGE	
NNC(=O)Cn1cccc(Cl)c1=O	1954202522	UBIVKDOBSOTAND-UHFFFAOYSA-N	201.613	-0.508	50	10	BBGE	
CCCN(OC)c1nc(B(O)O)cs1	1956966489	VYNVDWTUPVEGAW-UHFFFAOYSA-N	216.071	-0.399	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1COC(C)(C)C1	1958432576	KRKPNYCOZXDZHW-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
COC1(CF)CN(CCCC(=O)NN)C1	1961043080	KVIYQGWUMHQRAB-UHFFFAOYSA-N	219.260	-0.573	50	10	BBGE	
C[C@@H](O)CN1CCN(C[C@H](O)CCl)CC1	1961276668	VEZVQKXWBVQCMX-NXEZZACHSA-N	236.743	-0.416	50	10	BBGE	
Cc1nnccc1C(=O)N1CC[C@@H](B(O)O)C1	1972412142	HLZBDWXZTLTPKA-MRVPVSSYSA-N	235.052	-0.526	50	10	BBGE	
CC1(CF)CN(C[C@H]2C[C@@H]2C(=O)NN)C1	1975033811	RSWQVJMHZIXGFG-SFYZADRCSA-N	215.272	-0.096	50	10	BBGE	
CSC[C@H](N)C(=O)N1CCC(O)(C#N)CC1	1975716156	SLBVMKJJRYUODY-QMMMGPOBSA-N	243.332	-0.446	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1(CO)CC(C)C1	1978669027	FIWXKPOJPXILCO-YUCVTWSNSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)N(C)C)[C@H](N=C=O)CO1	1979162689	DOSFTLPKQQJNKC-SFYZADRCSA-N	249.292	-0.825	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(CCO)[C@@H]1C[C@H]1C	1979615444	GVGUNUJYVQSLNU-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
C[C@@H]1CN(c2ncncc2B(O)O)C[C@@H]1C	1981415788	IRCFPEOJIFOWSS-OCAPTIKFSA-N	221.069	-0.751	50	10	BBGE	
OB(O)c1cncnc1N1CCC2(CC2)C1	1981417195	XTIAAGJSANFDSU-UHFFFAOYSA-N	219.053	-0.853	50	10	BBGE	
OB(O)c1cncnc1OCCCC1CC1	1981424117	OHEOPBPINWIYGY-UHFFFAOYSA-N	222.053	-0.275	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCC=C[C@H]1CO	1985649192	TYGHYTKQVHNPSV-AEJSXWLSSA-N	227.308	-0.376	50	10	BBGE	
Cc1cn(-c2ncc(F)cc2B(O)O)cn1	1988012082	FGFFPZQMKLNTAH-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1[C@H](C)[C@H](C)C(=O)NN	1990038459	GQRDQDNKWMRBEL-JXUBOQSCSA-N	229.324	-0.154	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1C(=O)/C=C/C(=O)Cl	1991712103	CNXKCTWTHOSBIU-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
C[C@H]1O[C@@]2(CNC(=O)C(=O)NN)CC[C@H]1C2	1992390724	VMQUKLGXCRWEJH-FWWHASMVSA-N	227.264	-0.950	50	10	BBGE	
COC[C@H](C)Cn1nc(C)c(B(O)O)c1C	1992684260	FIDNLTUYYZGMMQ-SSDOTTSWSA-N	226.085	-0.538	50	10	BBGE	
O=C(CCCC(F)(F)F)NCC#CB(O)O	1993165810	KRWCZCXMVVPIIR-UHFFFAOYSA-N	236.986	-0.149	50	10	BBGE	
COCc1ocnc1CN1CC(=O)OC(=O)C1	2000670276	NXZSZPBLELUWBY-UHFFFAOYSA-N	240.215	-0.294	50	10	BBGE	
Cc1ncnc(N2C[C@@H](F)[C@H](C)C2)c1B(O)O	2004975907	GCYYMCQHTRYBAJ-HTRCEHHLSA-N	239.059	-0.741	50	10	BBGE	
CCOCCN(C)c1ncc(B(O)O)cc1F	2005014425	LMFUZQFWOUUETA-UHFFFAOYSA-N	242.059	-0.627	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC[C@@H]2C[C@H]2C1	2005014760	QDNAHVHHYMKWJU-ZJUUUORDSA-N	232.092	-0.084	50	10	BBGE	
CCOC1CN(c2ncc(B(O)O)cc2F)C1	2005016231	MOOUFNDALKONJW-UHFFFAOYSA-N	240.043	-0.874	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1C[C@@H]2C[C@@H]2C1	2008844694	RCCLOGJNTCZSJF-OWUUHHOZSA-N	233.076	-0.426	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](CCO)O[C@H](C)C1	2009339674	UVGHANLJVCAABW-AEJSXWLSSA-N	245.323	-0.773	50	10	BBGE	
C[C@@H](O)[C@@H]1CCN1Cc1ccc(C(=O)NN)o1	2011156314	RFUOEVSRXFHICS-APPZFPTMSA-N	239.275	-0.162	50	10	BBGE	
CN1C[C@H](N(C)CC(C)(C)C(=O)NN)CC1=O	2014822568	BZBGOKDYTLSZAE-MRVPVSSYSA-N	242.323	-0.835	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CC[C@H](C)O1	2019521964	AMIIGLLOGNUPEB-WCBMZHEXSA-N	243.307	-0.347	50	10	BBGE	
CN(CC1[C@H]2COC[C@H]12)c1ncccc1B(O)O	2054287728	QJLFRAZBHDSURO-NXEZZACHSA-N	248.091	-0.910	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1B(O)O	2067398254	BUXGTNYANUSCBV-RYUDHWBXSA-N	246.119	-0.745	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccccc1B(O)O	2079011045	XXBYQNGFEYVZEK-RKDXNWHRSA-N	245.087	-0.105	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H]3[C@H](C)C[C@H]3C2)n1	2085520211	SOSALSOBNAGOAY-JEZHCXPESA-N	247.107	-0.443	50	10	BBGE	
OB(O)c1cc(F)cnc1O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	2086992303	YQEZORQMKPMUPI-LALMQGGXSA-N	249.050	-0.066	50	10	BBGE	
CC(C)C1CN(Cc2nscc2B(O)O)C1	2211137548	IJAVMSVZDURVOL-UHFFFAOYSA-N	240.137	-0.089	50	10	BBGE	
COCC1(Nc2ncccc2B(O)O)CC1	2212601301	MFYYYTXSMCQUCW-UHFFFAOYSA-N	222.053	-0.648	50	10	BBGE	
COC[C@H](C)N(C)c1cc(B(O)O)ccn1	2212602829	KICBGIXHJNIEFC-QMMMGPOBSA-N	224.069	-0.768	50	10	BBGE	
C[C@@H]1C[C@@H](F)CN1c1cc(B(O)O)ccn1	2212612245	IUYJJCDVTOBBGX-VXNVDRBHSA-N	224.044	-0.302	50	10	BBGE	
CC(C)[C@H](N)CNc1ncccc1B(O)O	2212615478	PTPGIXVVSPLXBO-SECBINFHSA-N	223.085	-0.843	50	10	BBGE	
C[C@H]1CCN(Cc2cccc(B(O)O)c2)C1=O	2214598326	FXCDDEPUJVLRFW-VIFPVBQESA-N	233.076	-0.265	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCOC1	2217171651	DCHBXCQOXBIDLW-LLVKDONJSA-N	236.080	-0.400	50	10	BBGE	
C[C@@H]1COCCN1c1nccc(B(O)O)c1F	2217178657	ABDHBWMOHBKLRL-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
COC(C)(C)[C@H](C)Nc1ncc(B(O)O)cn1	2217180949	MJBUJOUDTOTWEK-ZETCQYMHSA-N	239.084	-0.618	50	10	BBGE	
CN(CC(C)(F)F)c1nccc(B(O)O)c1F	2217185595	ZIZXOEVVRPEVAZ-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
Cc1cnc(N(CCN)C(C)C)cc1B(O)O	2217187024	SBYFBBBFOGZNTQ-UHFFFAOYSA-N	237.112	-0.757	50	10	BBGE	
C#C[C@H]1CC[C@@H](Nc2ncccc2B(O)O)C1	2217203188	QQRSYEBOLKCZRA-VHSXEESVSA-N	230.076	-0.025	50	10	BBGE	
OB(O)c1cccnc1N1Cc2conc2C1	2217203285	SCTGBPAFSMDMMZ-UHFFFAOYSA-N	231.020	-0.730	50	10	BBGE	
OB(O)c1ccnc(NCc2cccc(O)n2)c1	2223636715	MONAKOGNGJAMSA-UHFFFAOYSA-N	245.047	-0.526	50	10	BBGE	
OC[C@H]1CCN(c2ccc(B(O)O)cn2)C12CC2	2223651049	ACTLQQSWUYYJPR-SECBINFHSA-N	248.091	-0.887	50	10	BBGE	
Cc1cnc(N[C@H]2CCN(C)[C@H]2C)cc1B(O)O	2223651551	COBWCSOBLCGHPD-ONGXEEELSA-N	249.123	-0.426	50	10	BBGE	
Cc1[nH]nc(CNc2cc(B(O)O)ccn2)c1C	2223669533	LGYFODDCVOYVHW-UHFFFAOYSA-N	246.079	-0.287	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1CO[C@@H](C2CC2)C1	2223671812	PZTWGCQEYIXABX-MWLCHTKSSA-N	248.091	-0.259	50	10	BBGE	
CON(C)S(=O)(=O)N1CC(Cl)C1	2241347541	BWNYLYUKHMALRD-UHFFFAOYSA-N	214.674	-0.353	50	10	BBGE	
O=C(NC1CC1)c1csc(B(O)O)c1	2241468847	VTPSLYLAAGVYRJ-UHFFFAOYSA-N	211.051	-0.680	50	10	BBGE	
C[C@@H]1SCC[C@H]1NC(=O)C#CB(O)O	2241476706	XZVRPJJIQUGJSF-NKWVEPMBSA-N	213.067	-0.988	50	10	BBGE	
CSCCCOc1nc(B(O)O)cs1	2242031283	MKBCQKUQZCUXHG-UHFFFAOYSA-N	233.123	-0.045	50	10	BBGE	
OCC(CO)N[C@H]1C[C@H](Br)C1	2242401644	NTIISFDQRNHWBW-IZLXSQMJSA-N	224.098	-0.145	50	10	BBGE	
O=C(NCC#CB(O)O)N1CCC2(CC2)C1	2243083816	KDZLXTOKHWKUJH-UHFFFAOYSA-N	222.053	-0.803	50	10	BBGE	
O=C(NC[C@H]1CCC=CO1)C1(B(O)O)CC1	2243359357	RMLYJKWNNZXINL-MRVPVSSYSA-N	225.053	-0.198	50	10	BBGE	
C[C@@H](NC(=O)c1csc(B(O)O)c1)C(F)F	2243362575	SYJMWZKKUIYZQJ-SCSAIBSYSA-N	249.047	-0.189	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)C2(B(O)O)CC2)CCN1C	2243365390	LYEQIOINWFEJRA-HTQZYQBOSA-N	226.085	-0.798	50	10	BBGE	
CCC[C@H](COC)NC(=O)C1(B(O)O)CC1	2243365739	RHOBKJAZYIJYRU-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1c[nH]nc1B(O)O	2243372066	CCRADHQADLUXSB-ZCFIWIBFSA-N	225.057	-0.992	50	10	BBGE	
CCOC[C@H](C)NC(=O)C1CC(B(O)O)C1	2243396421	LWBDJJFXLUWQIG-UEJVZZJDSA-N	229.085	-0.219	50	10	BBGE	
CC(C)NCCCNC(=O)[C@H]1C[C@@H]1B(O)O	2243427635	YGWZLFRNFGYYDW-IUCAKERBSA-N	228.101	-0.646	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H]1B(O)O	2243752456	ISENRMGPUHFRQP-RRKCRQDMSA-N	229.041	-0.829	50	10	BBGE	
CC[C@H](NC(=O)C1CC(B(O)O)C1)C(=O)O	2243759276	UQURWNFPLHQHCO-AHXFUIDQSA-N	229.041	-0.781	50	10	BBGE	
O=C(NOCCF)c1cccc(B(O)O)c1F	2247759774	WLPNAJPMLMXWSH-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
C[C@H]1COC[C@@H](C)N1C(=O)C1CC(B(O)O)C1	2247797571	KYFVULYPMVLLGJ-BQKDNTBBSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1C[C@H](CN)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247804330	GJJBVGJBNMASCX-KYXWUPHJSA-N	240.112	-0.565	50	10	BBGE	
C[C@@H]1CC[C@@H](N)CN1C(=O)C1CC(B(O)O)C1	2247808799	MNHVEOFMXZTPAR-SEZDTBSWSA-N	240.112	-0.422	50	10	BBGE	
CC(F)(F)CCNC(=O)c1ccc(B(O)O)o1	2247840830	BLRURBJLODVWRN-UHFFFAOYSA-N	247.006	-0.266	50	10	BBGE	
O=C(C#CB(O)O)Nc1cccc2c1CCN2	2247840929	CJFPDEKJKNPTBV-UHFFFAOYSA-N	230.032	-0.392	50	10	BBGE	
O=C(NCC1=CCCC1)c1cc(B(O)O)c[nH]1	2247848887	RRGSNCJGQSBBFZ-UHFFFAOYSA-N	234.064	-0.465	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C1(C)CC1	2247848914	SBKQYHHBVMDMGM-SSDOTTSWSA-N	236.080	-0.387	50	10	BBGE	
CCCN(C(=O)c1cc(B(O)O)c[nH]1)C1CC1	2247849532	BBNLJTKVIRWWBB-UHFFFAOYSA-N	236.080	-0.291	50	10	BBGE	
C=CCCNC(=O)c1ccc(B(O)O)cc1F	2247855110	NMNDUTFOJWZEPK-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
CO[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247859117	KMHQOWJRIIPGFC-JLIMGVALSA-N	241.096	-0.125	50	10	BBGE	
CN1CCN(C(=O)C2(B(O)O)CCC2)[C@H]2C[C@@H]21	2247879819	YAZRSFZNTZWEPF-IUCAKERBSA-N	238.096	-0.702	50	10	BBGE	
COC(=O)[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247879943	ZIDZAHBPSQNIGJ-ZETCQYMHSA-N	241.052	-0.985	50	10	BBGE	
O=C(NC[C@@H]1CCCCNC1)[C@H]1C[C@@H]1B(O)O	2247888432	ZKEFFLSLUNOYIF-UTLUCORTSA-N	240.112	-0.645	50	10	BBGE	
C[C@H]1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCO1	2247896128	XHTRKUQSSMAEJI-LPEHRKFASA-N	241.096	-0.123	50	10	BBGE	
O=C(NC1([C@@H]2CCNC2)CC1)[C@H]1C[C@@H]1B(O)O	2247899554	OBBARVLFVGXFKL-VGMNWLOBSA-N	238.096	-0.892	50	10	BBGE	
CC1(C)[C@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247899651	PAZFRJHGTSBWNE-DJLDLDEBSA-N	241.096	-0.531	50	10	BBGE	
NC[C@H]1C[C@H](F)CN1C(=O)C1CC(B(O)O)C1	2247911957	ZIXOHEILOQORNA-ABIFROTESA-N	244.075	-0.863	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2(B(O)O)CC2)[C@H]1C(=O)O	2248579129	XZWYGOTTXQYOHK-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
CN(CC(C)(C)C(=O)O)C(=O)[C@@H]1C[C@H]1B(O)O	2248586591	CYPKEPLUZVAPGB-RNFRBKRXSA-N	243.068	-0.582	50	10	BBGE	
CC(C)[C@H](C)CNC(=O)c1cocc1B(O)O	2249418186	PYRNSESEQACZDQ-MRVPVSSYSA-N	239.080	-0.019	50	10	BBGE	
C[C@@]1(CNC(=O)c2n[nH]cc2B(O)O)C=CCC1	2255554757	QPEYIAVJFPDLJL-LLVKDONJSA-N	249.079	-0.824	50	10	BBGE	
Cc1cc(C(=O)N2C[C@H]3C[C@@H](C2)C3)oc1B(O)O	2255575266	NUECMRZRGYRBRK-DTORHVGOSA-N	249.075	-0.250	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1coc(B(O)O)c1	2255728238	BVAVXMWYIXRKBV-NEPJDUFXSA-N	249.075	-0.266	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C1(C)CC1	2255732669	YZSKDAQMKNYNGJ-QMMMGPOBSA-N	248.091	-0.320	50	10	BBGE	
CCn1nc(C(=O)NCCC#CB(O)O)cc1C	2258963484	UGCSSDBWAUCSOC-UHFFFAOYSA-N	249.079	-0.653	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC[C@H]2[C@H](C[C@H]2O)C1	2297962585	FWJMJHFIGXYNAU-SAVGLBRCSA-N	239.319	-0.685	50	10	BBGE	
O=C(N[C@]12COC[C@H](C1)C2)[C@H]1C[C@@H](B(O)O)C1	2298673823	YKQSJUXPPVBNHC-WJILXUHTSA-N	239.080	-0.465	50	10	BBGE	
CNC[C@H](C)Oc1ccc(C=O)c(B(O)O)c1	2301422314	GJMXISPAUVWFIM-QMMMGPOBSA-N	237.064	-0.834	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCC12CCOCC2	2302833371	MAPFFDGIBOHPJJ-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C[C@H](F)C1)C(=O)NN	2303419877	KREOMHRGLQBMCJ-ATZCPNFKSA-N	247.314	-0.203	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@H]2[C@@H](O)C[C@@H]21)C(=O)NN	2303426670	QFTDEKDOCHKWEG-GMOBBJLQSA-N	241.335	-0.152	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Oc1ncccc1B(O)O	2312612172	FSEWSYXRBKUNFJ-MPKXCIJOSA-N	248.091	-0.734	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3occc3B(O)O)[C@@H]1C2	2312849421	VXQNSGRWQNZRTG-DXBFQKDVSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)n[nH]1)N1CC[C@@H]2CC[C@H]1C2	2312849684	MVCUVHATIOCCML-YUMQZZPRSA-N	249.079	-0.896	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2c1cc(B(O)O)ccn1	2318348251	QWFQKMDOHMTNKK-INTQDDNPSA-N	248.091	-0.625	50	10	BBGE	
C=C(C)CC(=O)NCCc1ccc(B(O)O)cc1	2319332526	UOOLAEIYLXRIHW-UHFFFAOYSA-N	247.103	-0.009	50	10	BBGE	
O=C(O)[C@@H](Br)[C@H](O)C(=O)O	1726901	NBLBTAVCTSCGBU-LWMBPPNESA-N	212.983	-0.720	50	10	BBGE	
N[C@@H](CC[C@@H](Cl)[C@@H](N)C(=O)O)C(=O)O	13542296	UZCHFKQDEKHHGI-MROZADKFSA-N	224.644	-0.802	50	10	BBGE	in-vitro
NNC(=O)CNCCCN1CCCCC1	58838650	XHXYSXABKMPVDI-UHFFFAOYSA-N	214.313	-0.558	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H](COC)C1	81120960	DUNQJKHREYXHCL-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(CC)CC1	82465998	NCUNMFGZKVIJER-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C1CCOCC1	82467955	BOIJMZMSMQZDRI-VIFPVBQESA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CCCO)C(C)C	82470869	WVXTXQDADKAAIX-VIFPVBQESA-N	217.313	-0.152	50	10	BBGE	
CC[C@@H]1CN([C@@H](C)C(=O)NN)CCN1C	82485333	QRKVRFKEWANQBT-DTWKUNHWSA-N	214.313	-0.609	50	10	BBGE	
CNC[C@H]1CCCN([C@H](C(=O)NN)C(C)C)C1	110598506	MQBLCSGIGBJUKA-MNOVXSKESA-N	242.367	-0.068	50	10	BBGE	
O=C(O)CNC(=O)CNC(=O)C(Cl)Cl	169912307	XQSUUGWXFGWGDQ-UHFFFAOYSA-N	243.046	-0.893	50	10	BBGE	
CN(C)C(=O)CN(C)S(=O)(=O)CCCl	232295067	LNMSQYQMXCHURR-UHFFFAOYSA-N	242.728	-0.425	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccco1	232419183	YCMDAIAUGTWZMJ-VIFPVBQESA-N	227.264	-0.284	50	10	BBGE	
C[Si](C)(C)OC(=O)[C@@H](N)CC(N)=O	238530420	BBPCHVOHLBOBEN-YFKPBYRVSA-N	204.302	-0.433	50	10	BBGE	
N#CCC[C@@H](N)c1ccc2c(c1B(O)O)OCO2	260752448	XJENAXUMHUAVAA-MRVPVSSYSA-N	248.047	-0.601	50	10	BBGE	
CNC(=S)NNC(=O)c1nccs1	306694755	VBHCQMDQOVJJIT-UHFFFAOYSA-N	216.291	-0.118	50	10	BBGE	
COC(=O)N/C=C(C)/C=N/NC(N)=O	306848451	MPFSDXDGFDYBFP-OXWOXFIQSA-N	200.198	-0.100	50	10	BBGE	
Nc1cc2sccc2c(N)c1B(O)O	306922821	XFFQTWXEZNHXSQ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@](O)(CO)C1	307151837	FPPLZPXSEYUYDA-RKDXNWHRSA-N	218.684	-0.063	50	10	BBGE	
Nc1cc2cc(O)cc(B(O)O)c2s1	307170984	LKAJNWCMMZKDDP-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
O=C(CCl)N1CC[C@@H](O)[C@H](CO)C1	307642600	MDXBYWAYVLGQLA-NKWVEPMBSA-N	207.657	-0.573	50	10	BBGE	
Nc1ccc([C@@H]2CCCNC2)cc1B(O)O	309351696	DXIWQTRKPKLMGU-SECBINFHSA-N	220.081	-0.584	50	10	BBGE	
C[C@H](Cl)c1nc(=N)[nH]c(=NC2CN(C)C2)[nH]1	379113121	VXMPQFMFURTYDR-YFKPBYRVSA-N	242.714	-0.268	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCOCCOC	384035416	MATJFTZXZSIGMX-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C(N(C)C)[C@H]2C1	384795145	RROLTOSPUGFMBN-XHNCKOQMSA-N	226.324	-0.753	50	10	BBGE	
CC1(C)C[C@@H](O)CCN(CCC(=O)NN)C1	395800792	ZMMVSOSPZWHYKQ-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
CN1CCN([C@@H](C(=O)NN)C(C)(C)C)CC1	395813365	MPFLWHWNJTZKQW-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
O=C(O)CCc1c(B(O)O)cccc1[N+](=O)[O-]	396054821	RFMQKZYAOPSXJR-UHFFFAOYSA-N	238.992	-0.708	50	10	BBGE	
N#CCCc1cc(B(O)O)ccc1CC#N	396140793	XIBDAWZOWMXVKH-UHFFFAOYSA-N	214.033	-0.111	50	10	BBGE	
C[C@H](CNC(=O)CCl)S(N)(=O)=O	398242859	PYHVTIRRRJGECW-SCSAIBSYSA-N	214.674	-0.982	50	10	BBGE	
COc1ccc(B(O)O)cc1N[S@](C)=O	404969982	NKGPOOGGYHVZLM-HNNXBMFYSA-N	229.066	-0.920	50	10	BBGE	
CC(C)[S@](=O)Nc1ncc(B(O)O)s1	405086770	UBCNIZPJYLICKG-AWEZNQCLSA-N	234.111	-0.693	50	10	BBGE	
CC(=NNC(N)=O)[C@@](C)(O)C[N+](=O)[O-]	687759178	SGPNPVXIQSIMHL-LURJTMIESA-N	204.186	-0.942	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H](C)C(=O)NN	688147510	RPYUVZKYMDIVDE-HLTSFMKQSA-N	215.297	-0.421	50	10	BBGE	
Cn1ncc(N)c1C(=O)N1CCC(O)(C#N)CC1	692108360	SIZSWYLBXNHLGB-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CCN(Cc1cnn(CC)c1)C(=O)C(=O)NN	693745174	JCOKISYEJPEDNL-UHFFFAOYSA-N	239.279	-0.759	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@@H](CCF)C1	700562135	VYNFXQCAMXLLNH-SFYZADRCSA-N	219.260	-0.575	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2COC[C@H]2C1	700655495	XOLMTRFVMYFRJZ-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
COC[C@@H]1CN([C@H](C)CC(=O)NN)CCO1	705869792	PFBBXWJFAJQULS-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CN(C(=O)CCCl)[C@@H]1COC[C@@H]1O	709105501	BSHGWTZUFGYWHC-RQJHMYQMSA-N	207.657	-0.167	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CC[C@@H](C)O1	709920179	SKPWCBNZIDWNIF-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H]2OCC[C@@H]2C1	724822536	NFFDZPDJRLXKPW-IWSPIJDZSA-N	213.281	-0.524	50	10	BBGE	
O=C(NN=C1CCOC1)[C@H]1CCc2nncn2C1	793143664	NWXCZZIPZADHGF-QMMMGPOBSA-N	249.274	-0.267	50	10	BBGE	
COC(=O)CNC(=O)NN=C1CO[C@H](C)[C@H]1C	844590677	UADCYIYUKFNYAU-RNFRBKRXSA-N	243.263	-0.131	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)NCC1CC1	1142342905	OXTQOCASXNKKHM-VIFPVBQESA-N	240.307	-0.179	50	10	BBGE	
Cc1ccnc(C(=O)NNC(=O)N(C)C)n1	1256293626	NCKVYLUSFRCDES-UHFFFAOYSA-N	223.236	-0.299	50	10	BBGE	
O=C(CO)NNC(=O)c1nccc2occc12	1306821491	UAXPIMYNTRHXOZ-UHFFFAOYSA-N	235.199	-0.419	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)C(C)C)o1	1463689228	BTOBTOXUTGFLGJ-UHFFFAOYSA-N	226.236	-0.276	50	10	BBGE	
CS(=O)(=O)C[C@H](O)CBr	1536187499	OUDLMBJKQKGOBZ-SCSAIBSYSA-N	217.084	-0.213	50	10	BBGE	
CS(=O)(=O)c1ccccc1NNC(=O)CO	1622078567	NAMZPOUTEQVBSO-UHFFFAOYSA-N	244.272	-0.475	50	10	BBGE	
CCN1CC[C@H]1C(=O)NNC(=O)NC	1625508186	WXBIXZGFQZNYRB-LURJTMIESA-N	200.242	-0.959	50	10	BBGE	
C[C@H](CN)S(=O)(=O)NC[C@@H]1C[C@H]1Cl	1883565237	AJVRTSAWRDLCLC-DSYKOEDSSA-N	226.729	-0.120	50	10	BBGE	
N[C@H](C[S@](=O)C[C@@H]1C[C@H]1Cl)C(=O)O	1883567773	RCKJMPMWJXIFTD-KCPCRNPNSA-N	225.697	-0.226	50	10	BBGE	
CS(=O)(=O)C[C@H]1CN(C(=O)F)CCO1	1887187679	FWWWWBNYQFXHMS-ZCFIWIBFSA-N	225.241	-0.179	50	10	BBGE	
CC[C@@H](N)C(=O)NN(C)S(=O)(=O)CC	1888563996	VTDDDKZULWJIFV-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
C[C@@H](O)CCCN1CC[C@H](B(O)O)C1	1891492755	PRJLVNIALPPKHX-BDAKNGLRSA-N	201.075	-0.304	50	10	BBGE	
N[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@H]2Cl)C1	1893454717	ZKWYVLJTYCWTAT-VGRMVHKJSA-N	218.684	-0.466	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CCCC1=O	1893840543	RNITTZUPDBQQIC-LURJTMIESA-N	213.237	-0.706	50	10	BBGE	
CN(CCF)C[C@@H]1CCC[C@H](C(=O)NN)O1	1896928820	LIZPYPLLYFCUNP-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
CO[C@@H]1C[C@H](CO)N(C(=O)/C=C/C(=O)Cl)C1	1897225421	AGRUDHLXJXWBSI-YEMZYZDBSA-N	247.678	-0.084	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCSC[C@@H](O)CO	1900527766	PECRFZYKTRSJLT-HRDYMLBCSA-N	248.348	-0.521	50	10	BBGE	
C[C@@H](N)CCC(=O)NN(C)S(=O)(=O)C1CC1	1901349351	YIFAJIHEAAOVQN-SSDOTTSWSA-N	249.336	-0.431	50	10	BBGE	
CCCN(OC)c1cc(B(O)O)c(F)cn1	1903006508	USRBAIHPMVQHQM-UHFFFAOYSA-N	228.032	-0.322	50	10	BBGE	
CC(C)n1ccn(C[C@H](C)C(=O)NN)c1=O	1912236749	HHJZUQAJXFZCBJ-QMMMGPOBSA-N	226.280	-0.143	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1CCCC1	1913615316	IUIDTRHVKFLXLU-UHFFFAOYSA-N	234.064	-0.110	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1cc(C(=O)NN)no1	1914252956	BIZBRFRQWVXNEM-HZGVNTEJSA-N	240.263	-0.767	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C1(CO)CCC1	1915005323	XIARVFOOTFUYDJ-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
CNC(=O)[C@H](C)N(C)CCCCC(=O)NN	1916203348	XWHQRCQXJGYWNJ-QMMMGPOBSA-N	230.312	-0.787	50	10	BBGE	
CC(C)n1nccc1C(=O)NNCCO	1930804219	DXRWIJSOBYHFRI-UHFFFAOYSA-N	212.253	-0.309	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1COC[C@@H]1Cl	1935549486	QWHPZGPMHJDHCL-MAUMQABQSA-N	249.694	-0.087	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@]2(CCO2)C1	1938672519	CHFNMBZYYPTONX-FXPVBKGRSA-N	225.292	-0.523	50	10	BBGE	
CN(Cc1cnnn1C)C(=O)NC(=O)CCl	1939615887	JVFHCZHJFHKSFR-UHFFFAOYSA-N	245.670	-0.278	50	10	BBGE	
CC(C)(O)[C@@H]1CCCN1C[C@@H]1C[C@@H]1C(=O)NN	1941074987	WOVWUYKUAHFMHA-GUBZILKMSA-N	241.335	-0.152	50	10	BBGE	
CC(C)NC(=O)CN(C)C[C@H]1C[C@@H]1C(=O)NN	1941089398	VOGIUHGFNAVMFG-BDAKNGLRSA-N	242.323	-0.931	50	10	BBGE	
N#Cc1cccn(C[C@@H]2C[C@H]2C(=O)NN)c1=O	1941094574	XZYQPFVWVZEOOQ-DTWKUNHWSA-N	232.243	-0.654	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@@H]1C1CC1	1941121481	IPXXQWKJIKBACT-MRVPVSSYSA-N	249.261	-0.278	50	10	BBGE	
O=C1Cc2cc(C(=O)NNCCO)ccc2N1	1944215669	LGXGQKZKQVJWAM-UHFFFAOYSA-N	235.243	-0.592	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC2(CCC2)[C@H](CO)C1	1946314463	DHRFADMIGJYMNF-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
CN1CC2(C1)CN([C@H](C(=O)NN)C(C)(C)C)C2	1946904964	DWHKCTXVIDWYOB-SECBINFHSA-N	240.351	-0.362	50	10	BBGE	
O=S(=O)(CCCl)N[C@@H]1C[C@@H]1CO	1953433786	GKFPSFOVOAEXIM-PHDIDXHHSA-N	213.686	-0.475	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1CC2(CCO2)C1	1961519726	KWWCCMKKMPXVJF-SFYZADRCSA-N	211.265	-0.913	50	10	BBGE	
Cc1nc(OC2CCC2)ncc1B(O)O	1961686320	BYIZXZOCXVYJTG-UHFFFAOYSA-N	208.026	-0.604	50	10	BBGE	
CCCCN(C)c1ncccc1B(O)O	1961694704	RVYBODZKGYKDNY-UHFFFAOYSA-N	208.070	-0.002	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@]1(C)CCC(=O)NC1=O	1961732133	GJGZFEAKLGJCDS-SSDLBLMSSA-N	232.667	-0.075	50	10	BBGE	
OB(O)c1csc(N2CC[C@H](C(F)F)C2)n1	1981468402	BFPKRNLDBXNSCQ-YFKPBYRVSA-N	248.063	-0.086	50	10	BBGE	
CCOCCOc1ccc(F)c(B(O)O)c1	1981501592	YZLIRVYZHCFVSA-UHFFFAOYSA-N	228.028	-0.079	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H](F)[C@@H](CO)C1	1983560018	PPFRFRUWJHUBPT-RKDXNWHRSA-N	233.287	-0.591	50	10	BBGE	
C[C@H](C(F)F)N(C)c1ccc(B(O)O)cn1	1984211720	LGGJOGBRMWQADP-ZCFIWIBFSA-N	230.023	-0.149	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CC[C@@H](N2CC(O)C2)C1	1991693312	MFYQUIRLDRXBSL-QNSHHTMESA-N	244.722	-0.109	50	10	BBGE	
O=CN1CCCN(C(=O)/C=C/C(=O)Cl)CC1	1991703747	KHZDNYNRUYVCLW-NSCUHMNNSA-N	244.678	-0.001	50	10	BBGE	
C=C(CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1)B(O)O	1992167483	LGJIKTQAPCWGHT-RKDXNWHRSA-N	247.125	-0.938	50	10	BBGE	
Cc1cncc(C(=O)NCC#CB(O)O)c1	1992167714	PBOWDEIVTVMIHQ-UHFFFAOYSA-N	218.021	-0.865	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@@H](CO)CCC12CCC2	1994869282	UYDNGEJCFJPRTK-DTWKUNHWSA-N	227.308	-0.256	50	10	BBGE	
CC[C@H]1COCCN1c1ccncc1B(O)O	2004936430	ZFRMUIGIMFDGMT-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
C[C@@H]1CN(c2ncc(B(O)O)cc2F)C[C@H]1F	2005017649	IHVSGTRPRTUHML-HZGVNTEJSA-N	242.034	-0.305	50	10	BBGE	
CCO[C@@H](C)n1cnc2c(B(O)O)ncnc21	2007069064	YAUMAKFWGRQFQN-LURJTMIESA-N	236.040	-0.939	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOC2=O)cn1	2007740647	KBGXABGZFOUBDU-UHFFFAOYSA-N	236.231	-0.363	50	10	BBGE	
CO[C@@H]1C[C@H]2[C@@H]1CCN2CCOCC(=O)NN	2008785436	MKUZNFUBUVKRTE-LPEHRKFASA-N	243.307	-0.898	50	10	BBGE	
C[C@@H]1[C@H](O)CN1[C@@H](C(=O)NN)c1ccccc1	2011372851	LLXFOYOBPUJURE-FBIMIBRVSA-N	235.287	-0.217	50	10	BBGE	
NNC(=O)CCN1CC(=O)N2CCCC[C@H]2C1	2013240583	CLMRGERBYNHGPJ-VIFPVBQESA-N	240.307	-0.937	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](CO)C23CC3)CC1	2016081555	VVODOYGWEHUFTB-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@H]2COC[C@@H]21	2017525966	XPEKAADVJXWLIP-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
CCN(CC(=O)NNC(C)=O)[C@@H]1CCCOC1	2019210308	MTKWJYMSECXOHT-SNVBAGLBSA-N	243.307	-0.345	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)C[C@](C)(COC)OC	2021119096	FZSBWDIHEWSSHW-MWLCHTKSSA-N	247.339	-0.262	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@H]1C[C@@H]2C[C@@H]2C1	2040767182	OAZLHQYNDNIWGT-RNLVFQAGSA-N	247.063	-0.859	50	10	BBGE	
OB(O)c1csnc1COC[C@@H]1CCOC1	2211137454	GQDVBGFWZSQCMN-SSDOTTSWSA-N	243.093	-0.624	50	10	BBGE	
CC[C@H](Nc1ccc(B(O)O)cn1)[C@@H](C)O	2212610547	KPCUYBSQCJPWGN-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
NNC(=O)C1(Cn2cnc([N+](=O)[O-])n2)CCC1	2216530260	NGPWVBYXPQDMSN-UHFFFAOYSA-N	240.223	-0.654	50	10	BBGE	
N[C@H]1CCCC[C@@H]1Oc1ccc(B(O)O)cn1	2217166820	JIRVTVRYHKJQIL-UWVGGRQHSA-N	236.080	-0.590	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1nccc(B(O)O)c1F	2217179007	DSNSEOKJFABIEI-HTQZYQBOSA-N	238.071	-0.007	50	10	BBGE	
Cc1cnc(NCC(C)(C)CO)cc1B(O)O	2217183931	PBTWGCNZSUZGOP-UHFFFAOYSA-N	238.096	-0.500	50	10	BBGE	
C#CCN(CC(C)C)c1ccc(B(O)O)cn1	2217185540	YVKTZFILKQAPDI-UHFFFAOYSA-N	232.092	-0.143	50	10	BBGE	
C[C@@H]1CCN[C@H]1COc1cc(B(O)O)ccn1	2217185690	AGWMPNXEFJQSAI-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
C=CC[C@H](CN)COc1ccc(B(O)O)cn1	2217192129	MXFDOYXFDQJKIN-SECBINFHSA-N	236.080	-0.709	50	10	BBGE	
C[C@H](CCCCO)Nc1ncccc1B(O)O	2217200664	APCGJRAZPRKZEK-SECBINFHSA-N	238.096	-0.276	50	10	BBGE	
Cc1sccc1CN=c1ncc(B(O)O)c[nH]1	2217203655	YOKNAIDQVMQZTD-UHFFFAOYSA-N	249.104	-0.440	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2220063483	LUEMIALXGUOKFN-GWCFXTLKSA-N	249.119	-0.288	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CO[C@H]2C[C@@H]1C2	2223632973	QFRFWJWGGJBQEM-LPEHRKFASA-N	248.091	-0.402	50	10	BBGE	
CC(C)(N)[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2223635171	TXEJGPPCNBOVQX-VIFPVBQESA-N	249.123	-0.675	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CNCC23CCC3)c1	2223636023	FBOIPEUXDYUWIU-JTQLQIEISA-N	247.107	-0.685	50	10	BBGE	
Cc1cnc(N2CC[C@H](N)C[C@H]2C)cc1B(O)O	2223648257	JDYNQBXRSDVVPC-ZJUUUORDSA-N	249.123	-0.614	50	10	BBGE	
OB(O)c1ccc(OC2([C@H]3CCCN3)CC2)nc1	2223652507	DWCOOISMSRRWBS-SNVBAGLBSA-N	248.091	-0.575	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCCNC[C@@H]1C2	2223672692	BUICGSIYFPSKLG-JOYOIKCWSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3COCC[C@H]32)c1	2223678835	IMENDOLDBWZWBW-GXSJLCMTSA-N	248.091	-0.623	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@]2(O)C[C@@H]2C1	2241321327	CDOROTOIOHISIQ-RNFRBKRXSA-N	225.697	-0.031	50	10	BBGE	
CCC(F)(F)CNC(=O)C#CB(O)O	2241468484	PEMKVOALKBJUNS-UHFFFAOYSA-N	204.969	-0.837	50	10	BBGE	
NC(=O)c1cc(B(O)O)c(Cl)s1	2241496509	TZOHJUBJRRZJJO-UHFFFAOYSA-N	205.431	-0.820	50	10	BBGE	
O=C(CCCCl)N1CC[C@H]1[C@H](O)CO	2241811010	KWQHJLBWEOTEJD-JGVFFNPUSA-N	221.684	-0.041	50	10	BBGE	
CN(C)NC(=O)CNC[C@H]1CCCO1	2242095502	VRUNRBPXGOHDSW-MRVPVSSYSA-N	201.270	-0.652	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H]1CCC2(CCC2)C1	2243357651	ZMIUXAYILUCMMN-SECBINFHSA-N	221.065	-0.159	50	10	BBGE	
CC[C@H](CO)CNC(=O)C1CC(B(O)O)C1	2243382071	LFTGULHHYQHEQU-UEJVZZJDSA-N	229.085	-0.626	50	10	BBGE	
C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2243391545	LTMSJDLPLATWID-HRDYMLBCSA-N	226.085	-0.988	50	10	BBGE	
C[C@@H](O)C(C)(C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243396347	LBORIAJHBOCOFM-BWZBUEFSSA-N	229.085	-0.485	50	10	BBGE	
C[C@@H](CNC(=O)C1(B(O)O)CCC1)[S@](C)=O	2243398919	VHAHSBGDVYVTGU-GYKQLYQFSA-N	247.125	-0.733	50	10	BBGE	
CO[C@@H](CN(C)C(=O)C#CB(O)O)C(C)C	2243401121	MLQWXQIAJQNTIU-VIFPVBQESA-N	227.069	-0.869	50	10	BBGE	
C=C(CS(=O)(=O)N[C@]12CCC[C@H]1C2)B(O)O	2243412141	HKZPHKJDRSNUQK-IUCAKERBSA-N	245.109	-0.583	50	10	BBGE	
C#CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CSC1	2243419808	HDYYCNGZRQXDLK-BDAKNGLRSA-N	239.105	-0.574	50	10	BBGE	
CN(CC(C)(C)CO)C(=O)[C@H]1C[C@@H]1B(O)O	2243420101	MPQDVFVVOSDBLU-YUMQZZPRSA-N	229.085	-0.674	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CCOCCO1	2243427442	VNKGDGMQEMQRJT-ZKCHVHJHSA-N	229.041	-0.970	50	10	BBGE	
C=C(CS(=O)(=O)N1CC[C@H]1C1CC1)B(O)O	2243434294	WSAJCSLKUNVIBK-VIFPVBQESA-N	245.109	-0.631	50	10	BBGE	
C[C@@]1(C(=O)NCCC#CB(O)O)CC1(F)F	2244549839	JFTPEOLJDDUFKK-QMMMGPOBSA-N	231.007	-0.447	50	10	BBGE	
COC[C@@H](OC[C@]12C[C@H](CO1)C2)C(=O)NN	2245217345	UYCGWACBIJWODU-MRTMQBJTSA-N	230.264	-0.813	50	10	BBGE	
COCCCOc1nc(OC)ccc1B(O)O	2247234174	YEOGJKAHNHFOEU-UHFFFAOYSA-N	241.052	-0.815	50	10	BBGE	
C[C@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CCC1	2247732470	GCNKMNJXANPILK-DTWKUNHWSA-N	241.096	-0.387	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CCC1)C1(CO)CC1	2247732571	HOVIVQQNGAXOPW-QMMMGPOBSA-N	241.096	-0.339	50	10	BBGE	
Cc1cccc(CCNC(=O)C#CB(O)O)n1	2247737051	BPCMLZKCOWULIE-UHFFFAOYSA-N	232.048	-0.936	50	10	BBGE	
CC(C)(N)[C@@H]1CCCCN1C(=O)C#CB(O)O	2247741240	WVUBEVHXHSWZJN-VIFPVBQESA-N	238.096	-0.880	50	10	BBGE	
C#C[C@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247742896	VUQPSGZWZQSTQM-VIFPVBQESA-N	233.032	-0.899	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CC(C(F)F)C1	2247744279	QMHJJXFHJZGETK-UHFFFAOYSA-N	244.990	-0.704	50	10	BBGE	
O=C(NC[C@H]1CC12CC2)c1occc1B(O)O	2247749878	AWOAXXHBHHSREI-SSDOTTSWSA-N	235.048	-0.511	50	10	BBGE	
O=C(N1CC[C@@H]2COC[C@H]21)C1(B(O)O)CCC1	2247751113	STRVFKYENBBJTO-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N(C)CC	2247752267	MFHNMPBJIMOMKL-UHFFFAOYSA-N	238.096	-0.330	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1B(O)O	2247752724	UWUBLSCPQNUQKY-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
O=C(N1C[C@H]2C[C@H](O)C[C@H]2C1)C1(B(O)O)CC1	2247764551	VELQFKHYAOVFHP-BRPSZJMVSA-N	239.080	-0.777	50	10	BBGE	
C[C@@H]1CO[C@@H](CNC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787234	MJKDLIUBKIYOKU-AXTSPUMRSA-N	241.096	-0.219	50	10	BBGE	
CN(C)C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247800692	RNOXSFZAKVCXKF-ZYUZMQFOSA-N	240.112	-0.694	50	10	BBGE	
O=C(NCCCOC1CCC1)[C@H]1C[C@@H]1B(O)O	2247807149	QBIFZJKLWQRLAD-UWVGGRQHSA-N	241.096	-0.075	50	10	BBGE	
C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccnn1C	2247809170	YAYVCMGMVAUJMW-RNJXMRFFSA-N	237.068	-0.540	50	10	BBGE	
CC/C=C\CNC(=O)c1ccc(B(O)O)cn1	2247853247	IMABKPHXCLAQPR-ARJAWSKDSA-N	234.064	-0.543	50	10	BBGE	
CC1(C)CC[C@@H]1NC(=O)c1occc1B(O)O	2247853330	KKTVUABEUUBWSZ-QMMMGPOBSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@]12CCC[C@@H]1CNC2)[C@@H]1C[C@@H]1B(O)O	2247855059	MTUMFEZGRFLSTJ-REIXXSIJSA-N	238.096	-0.892	50	10	BBGE	
NCC1(CCNC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247858836	IJBOCFWLRHIEAW-DTORHVGOSA-N	240.112	-0.515	50	10	BBGE	
C=CCCNC(=O)c1cc(F)ccc1B(O)O	2247868434	UBBOYFMXUGBUQJ-UHFFFAOYSA-N	237.039	-0.189	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN(C)C(=O)C1(B(O)O)CC1	2247873125	FLQCHXOWMYIKEI-RKDXNWHRSA-N	241.096	-0.123	50	10	BBGE	
N#Cc1ccc(NC(=O)C2(B(O)O)CC2)cn1	2247879721	VHWLHUIQNPDPBV-UHFFFAOYSA-N	231.020	-0.101	50	10	BBGE	
CC(C)C[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247892203	VZSKEEAJTWTHEW-UDNWOFFPSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@H]2COC[C@@H]21	2247892730	GWMPMNZKEDVXAO-IMSYWVGJSA-N	239.080	-0.513	50	10	BBGE	
O=C(N[C@H]1[C@H]2COCC[C@H]21)[C@H]1C[C@H](B(O)O)C1	2247894842	LMLMYNIBAKVTSX-GRDBIXFFSA-N	239.080	-0.610	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2247899798	QDHUVXIOEKVXEF-DOLQZWNJSA-N	241.096	-0.077	50	10	BBGE	
NC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247911280	VAJMYJDFSCEOHA-KXUCPTDWSA-N	240.112	-0.421	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1cncc(B(O)O)c1	2249305977	USAGHOKZPAROAB-ZETCQYMHSA-N	240.043	-0.809	50	10	BBGE	
CCn1cnc(NC(=O)c2ccoc2B(O)O)c1	2255465804	OVBAXRDDVOKHCR-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1[C@H]2CCC[C@H]12	2255468337	ZLUSJZOUMAEITN-YUMQZZPRSA-N	249.075	-0.170	50	10	BBGE	
O=C(NCCc1ccco1)c1occc1B(O)O	2255488242	AVEQZRSXSSGZQN-UHFFFAOYSA-N	249.031	-0.475	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N=c1cco[nH]1	2255514907	PIEIHKCRFYUHTN-UHFFFAOYSA-N	246.031	-0.663	50	10	BBGE	
CC(C)(C#N)CNC(=O)c1ccc(B(O)O)cn1	2255518566	MIZMLODFBNPMSQ-UHFFFAOYSA-N	247.063	-0.959	50	10	BBGE	
C=C[C@H]1CCCN(C(=O)c2cc(B(O)O)n[nH]2)C1	2255549800	TZOCREDFCQBBOU-QMMMGPOBSA-N	249.079	-0.872	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)nnc1C	2255561040	CNKYVRFFUHHILO-VHSXEESVSA-N	249.079	-0.427	50	10	BBGE	
Cc1ccnc(C(=O)N(C)C2CCC2)c1B(O)O	2255580558	DWMLGFRRLIDNND-UHFFFAOYSA-N	248.091	-0.306	50	10	BBGE	
CC#CCCNC(=O)Nc1ccc(B(O)O)cc1	2255919916	RGFWJCMPXMLGML-UHFFFAOYSA-N	246.075	-0.099	50	10	BBGE	
C[C@]12CC[C@@H](NC(=O)c3cocc3B(O)O)[C@H]1C2	2258142958	UJUGFXYGXZYSCB-HLUHBDAQSA-N	249.075	-0.122	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@]12CCC[C@H]1CC2	2260686326	SLMKQGBCSFWXAC-JOYOIKCWSA-N	248.091	-0.497	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)O1	2298370459	ZGHXEGALQPPYDR-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1C[C@@H](O)C[C@@H](F)C1	2302017960	LCYCJQBRDXKJLP-AEJSXWLSSA-N	247.314	-0.060	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC2(CC[C@H]2O)C1	2302049852	LGUZCJDMSHNLNZ-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H]1C[C@H]2C[C@H]1CN2C(=O)C1(B(O)O)CC1	2302191534	WCSWLLUKKJUBQQ-YIZRAAEISA-N	239.080	-0.371	50	10	BBGE	
Cc1nc(CCN2CC[C@](C)(B(O)O)C2)n[nH]1	2306978799	IYPGGDRDNUGWFM-JTQLQIEISA-N	238.100	-0.406	50	10	BBGE	
COc1cnc(CN2CC[C@@H](B(O)O)C2)nc1	2307198641	BNQZSHDGXCCNME-MRVPVSSYSA-N	237.068	-0.466	50	10	BBGE	
Cc1ccc(NC(=O)N(C)C)c(F)c1B(O)O	2307573603	IDJGFTXZGDZOTG-UHFFFAOYSA-N	240.043	-0.093	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCc1ncon1	2317161800	GGQCEEZLKJRLSQ-UHFFFAOYSA-N	244.019	-0.767	50	10	BBGE	
CC(C)NCCNc1ccc(B(O)O)cc1C#N	2317166591	WXHSSUMFAUDEMF-UHFFFAOYSA-N	247.107	-0.352	50	10	BBGE	
CN1CC[C@H]1COc1ccc(B(O)O)cc1C#N	2317167550	IUCJDWSMXXJOKK-NSHDSACASA-N	246.075	-0.679	50	10	BBGE	
CO[C@@H]1C[C@H]2C[C@H]1CN2c1ccncc1B(O)O	2318321660	JKPOVSRYUKGBRH-YGOYTEALSA-N	248.091	-0.625	50	10	BBGE	
COC(=O)CN(C)C(=O)NC(=O)CCCl	36905695	DSTKRMXMLJMTRQ-UHFFFAOYSA-N	236.655	-0.044	50	10	BBGE	
N#CCCN(CCC#N)CCC(=O)NN	58863545	LBIKGTRHWQRRNS-UHFFFAOYSA-N	209.253	-0.504	50	10	BBGE	
CCCN1CCN(CCCC(=O)NN)CC1	82465987	OJXARUAZNMSAGV-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
CC[C@@H](C(=O)NN)N(CC)CC(=O)N(C)C	82470147	BJHDDNIUIJQMMH-QMMMGPOBSA-N	230.312	-0.835	50	10	BBGE	
CCN(CCOC)[C@H](C(=O)NN)C(C)C	82470199	YXXTWWFMMYOSFV-VIFPVBQESA-N	217.313	-0.031	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCCC[C@@H]1CO	82470378	MZRZEFWVAZGYDX-JGVFFNPUSA-N	201.270	-0.788	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCCOC1	82545672	DVEOBVOTBJUQIU-BDAKNGLRSA-N	215.297	-0.277	50	10	BBGE	
OB(O)c1cnc(-c2ccsc2)nc1	198019818	OXSLGOCJOXCYQP-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
NNC(=O)NNC(=O)c1ccccc1N	238661528	YLNZHRSRLXOEGZ-UHFFFAOYSA-N	209.209	-0.914	50	10	BBGE	
O=c1ccn(C[C@H](O)CCl)c(=O)[nH]1	238705282	SNGONSGKMCSOFD-RXMQYKEDSA-N	204.613	-0.864	50	10	BBGE	
O=C1N[C@H]2[C@@H](Br)C[C@@H]1[C@@H]2O	238722163	ZBBRHTADBLAAFF-STGXQOJASA-N	206.039	-0.371	50	10	BBGE	
C[C@@H]1CCN(C[C@H]2CC[C@H](C(=O)NN)O2)C1	251761629	UFGQXKRXXUYCKW-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NN	252580367	QBDXTYHLBOPKAE-NXEZZACHSA-N	228.340	-0.219	50	10	BBGE	
CC1(C)SC[C@@H](C(=O)NN)N1C=O	307697081	LKJDSZZFVFZAHU-YFKPBYRVSA-N	203.267	-0.714	50	10	BBGE	
CC(C)(SS(C)(=O)=O)[C@H](N)C(=O)O	308145718	YHOSXUIHCWFVMV-SCSAIBSYSA-N	227.307	-0.130	50	10	BBGE	
CC(C)N(CCOCCO)[C@@H](C)CC(=O)NN	310172305	QAVITNVLBDKJKW-JTQLQIEISA-N	247.339	-0.526	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](N(C)C)[C@H]1C	381934300	TXVUQZXCSFDICB-BBBLOLIVSA-N	228.340	-0.221	50	10	BBGE	
C[C@H](CCl)C(=O)NCC(=O)N1CCOCC1	389943377	ITIAOTHCCKSSQS-MRVPVSSYSA-N	248.710	-0.164	50	10	BBGE	
CC(C)C1(O)CN([C@@H](C)[C@@H](C)C(=O)NN)C1	394906055	JQUQSUUBLDTMKZ-BDAKNGLRSA-N	229.324	-0.296	50	10	BBGE	
CCOC(=O)Cc1nc2cc(B(O)O)ccc2o1	396111933	AFEYYVJRBBIJHW-UHFFFAOYSA-N	249.031	-0.387	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN([C@H](C)C(=O)NN)C1	398847576	TYMRJQYWQOPKEH-HLTSFMKQSA-N	215.297	-0.685	50	10	BBGE	
C=CCNC(=O)Nc1ccc(B(O)O)c(F)c1	405172696	WSMBZKBREJSXJY-UHFFFAOYSA-N	238.027	-0.187	50	10	BBGE	
O=C(CCl)NC(=O)Nc1nnns1	575467298	SLDUNFRLZKDLSJ-UHFFFAOYSA-N	221.629	-0.180	50	10	BBGE	
C#C[C@@H](CO)N1CC[C@H](Br)C1=O	642830705	XZUONVZMAGCTMX-BQBZGAKWSA-N	232.077	-0.024	50	10	BBGE	
COC[C@](C)(CO)N(C)CCCCC(=O)NN	689810467	LDYHVEGNQBSEKQ-NSHDSACASA-N	247.339	-0.524	50	10	BBGE	
C[C@@H]1CCCN(CC(=O)NN)[C@H]1CCO	697197834	CLPWKRFKSCSSCI-BDAKNGLRSA-N	215.297	-0.541	50	10	BBGE	
OB(O)c1ccccc1Cn1ccnn1	699052877	YPTOXNRMSCHFNH-UHFFFAOYSA-N	203.010	-0.994	50	10	BBGE	
NC(=O)NNC(=O)Cn1cnc2ccccc21	700874501	VXQNJYNTDBVHKA-UHFFFAOYSA-N	233.231	-0.264	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CCCCS1	702017552	OFDADAYOGWENEP-ZCFIWIBFSA-N	203.072	-0.600	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](O)(CC)C1	710210202	PAANXLGXYYAOFL-GXSJLCMTSA-N	229.324	-0.008	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1COCC[C@@H]1O	710926289	YCCJDTJQUDYJKN-HXFLIBJXSA-N	241.243	-0.947	50	10	BBGE	
COc1cc(B(O)O)ccc1NC(=O)C(C)C	712302867	VTXRYNOPDDZMCH-UHFFFAOYSA-N	237.064	-0.031	50	10	BBGE	
CC1(C(=O)NCc2cnc(B(O)O)s2)CC1	718827770	WXYXOWXLKRJKJO-UHFFFAOYSA-N	240.093	-0.761	50	10	BBGE	
C[C@@H]1C[C@H](N(C)[C@H](C)C(=O)NN)CCO1	721484309	PTODORVNFKJTMW-IWSPIJDZSA-N	215.297	-0.136	50	10	BBGE	
O=C(NN=C[C@H]1CCOC1)[C@H]1COCCO1	745207808	HNLKOEXICISDLN-RKDXNWHRSA-N	228.248	-0.460	50	10	BBGE	
CCc1[nH]ccc1C(=O)NNC(=O)c1cnn[nH]1	796185402	YMTXSXKXSNCYHQ-UHFFFAOYSA-N	248.246	-0.230	50	10	BBGE	
CCN(CCO)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	823376452	FPWOGMQIYJLLST-XXFSISAASA-N	240.303	-0.245	50	10	BBGE	
O=C(NNC(=O)C1CCC1)c1cc(O)n[nH]1	827215689	BASRWLODDZWCPI-UHFFFAOYSA-N	224.220	-0.324	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN(C)[C@@H](C)CO	1143340323	CBXGSKYYKFVDOF-YFKPBYRVSA-N	228.252	-0.619	50	10	BBGE	
CC(CC(F)(F)F)=NNC(=O)C(N)=O	1327797591	KFMCEQXGTJBEBN-UHFFFAOYSA-N	211.143	-0.084	50	10	BBGE	
CSCC[C@H](O)C(=O)NNC(=O)NC(C)C	1464571367	ALHWSDJYIKQCIA-ZETCQYMHSA-N	249.336	-0.161	50	10	BBGE	
O=C(CCc1cnn[nH]1)NN=c1cc[nH]cc1	1611414716	UOMDBVVBICJFFY-UHFFFAOYSA-N	232.247	-0.303	50	10	BBGE	
CNC(=O)NNC(=O)Cc1cnn2ccccc12	1625507361	RUCKBEMAXQNCGN-UHFFFAOYSA-N	247.258	-0.163	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1	1627042275	ZRDPPJHGPRKUQC-HTQZYQBOSA-N	238.247	-0.781	50	10	BBGE	
C[C@H](Cl)C(=O)N[C@@H](C(=O)O)[C@H](C)O	1865770310	QWITUMIMJALCSI-VAYJURFESA-N	209.629	-0.436	50	10	BBGE	
C[C@@H](Cl)CNC(=O)[C@@H](N)CCC(N)=O	1866101608	RHDGRAVNXCZKCP-RITPCOANSA-N	221.688	-0.677	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Br)N1C[C@@H](O)CO1	1877359737	NLAYHWHWXJVWLD-PBXRRBTRSA-N	236.065	-0.096	50	10	BBGE	
O=C(F)N1CC2(CNS(=O)(=O)C2)C1	1882790557	ZNFIMUPUQPWKOB-UHFFFAOYSA-N	208.214	-0.689	50	10	BBGE	
O=C(NCC1(O)CNC1)[C@H]1C[C@H]1Br	1883531092	LVVZMZMXZJXNCY-NTSWFWBYSA-N	249.108	-0.780	50	10	BBGE	
CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)CCl	1884852815	LBTSKUVFTSEXDM-NKWVEPMBSA-N	243.712	-0.142	50	10	BBGE	
CN(CCF)CCC(F)(F)C(=O)NN	1885135391	RIQZGCLUHQCCSU-UHFFFAOYSA-N	213.203	-0.097	50	10	BBGE	
CCN(CCF)CCOCC(=O)NN	1886423112	IMYRIXVJKVJZON-UHFFFAOYSA-N	207.249	-0.716	50	10	BBGE	
NC(=O)CN(CC(=O)O)C[C@H]1C[C@H]1Cl	1893101074	YZKFSXRQKQUECT-PHDIDXHHSA-N	220.656	-0.514	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2CC[C@H]2CO)C1	1895940510	DSYOBUIJCWQNEY-AEJSXWLSSA-N	227.308	-0.541	50	10	BBGE	
CC[C@](C)(CN1CC[C@@](C)(O)C1)C(=O)NN	1902716573	UONZGIYMSOQQFE-GHMZBOCLSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](Cn2cc(F)cn2)O1	1910292039	UQSMLBUTZPNRFG-BDAKNGLRSA-N	242.254	-0.050	50	10	BBGE	
NNC(=O)CCCN=S1(=O)CCC1	1913860224	BNEKEBSRPRPKST-UHFFFAOYSA-N	205.283	-0.372	50	10	BBGE	
CC[S@@](C)(=O)=N[C@H](C)CC(=O)NN	1913889324	VWRYMWUQQJMVBH-CAAJLBCPSA-N	207.299	-0.127	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)CCOC1CC1	1914549957	FAKXCSPGANTQMH-ZETCQYMHSA-N	201.270	-0.524	50	10	BBGE	
COCC1CN([C@H](C)[C@@H](C)C(=O)NN)C1	1916281254	KJQGNEUQIHFQOO-HTQZYQBOSA-N	215.297	-0.421	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@@H](O)CN)CC1	1917084674	OGZAHPMWNRPDPA-SECBINFHSA-N	209.249	-0.622	50	10	BBGE	
OCC1(CO)CCCCN1C[C@@H](O)CCl	1928369003	ZTVHLTAOBDCHOK-VIFPVBQESA-N	237.727	-0.205	50	10	BBGE	
CN1C[C@H](O)[C@H](NC(=O)CCCl)C1	1928757126	AGRGMDOEKZADQS-RQJHMYQMSA-N	206.673	-0.594	50	10	BBGE	
CC[C@]1(CNC(=O)C(=O)NN)CCCO1	1929047734	KDGPWQWNEYZMAT-SECBINFHSA-N	215.253	-0.948	50	10	BBGE	
NCCCSCC1(C(=O)NN)CC1	1931266636	ILPAJFSBRLUQTL-UHFFFAOYSA-N	203.311	-0.162	50	10	BBGE	
C[C@H](C[C@@H]1CCCS1(=O)=O)NC(=O)NN	1935061758	QKEUVXHFUDUTBV-RQJHMYQMSA-N	235.309	-0.485	50	10	BBGE	
CN(C)CC1CN(CC(F)(F)C(=O)NN)C1	1935940433	CWVJYQWZXUBOPS-UHFFFAOYSA-N	236.266	-0.895	50	10	BBGE	
C[C@H](O)[C@H]1CCN(CC(F)(F)C(=O)NN)C1	1935946065	YMTDUJGWKFJMHQ-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)[C@H](C)CO1	1936533416	HQRHMLVBYQDHOH-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](F)[C@H](OC)C1	1937153327	JJOGXKUOCCHHIJ-DJLDLDEBSA-N	233.287	-0.186	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN2CCCC[C@H]1C2	1939264725	VHRXRWUDRJSNPO-UWVGGRQHSA-N	226.324	-0.465	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC12CCOCC2	1941087262	MFIZBUDGQVLBLO-UWVGGRQHSA-N	239.319	-0.133	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC(N2CCCC2)C1	1941094838	OWEQARJBYJXNFA-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@H](OC(=O)N(C)C)C1	1942659436	JLCMJICOHVFLEP-SFYZADRCSA-N	244.295	-0.863	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)c1cocn1	1944196288	DPRAXWWFRKDIHV-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1COC[C@@H]1COCCCO1	1948415363	DQAHMIUCIRZPDL-LPEHRKFASA-N	244.291	-0.566	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N)CC12CC2	1949381508	HTANMFIRLPSZRL-SECBINFHSA-N	240.307	-0.891	50	10	BBGE	
O=C([C@H]1CCCO1)N1CCC(B(O)O)CC1	1951320144	DVCJLHORJOQAAW-SECBINFHSA-N	227.069	-0.369	50	10	BBGE	
N#C[C@H](O)Cc1ccccc1S(N)(=O)=O	1951418330	JEXRXWLCMOWCHR-MRVPVSSYSA-N	226.257	-0.239	50	10	BBGE	
O=C(OCCl)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955547979	FDFLHVWBPBNLAA-YTLHQDLWSA-N	221.640	-0.255	50	10	BBGE	
CC(C)[C@H](O)CN(C)[C@H](C)C(=O)NN	1956485931	ZZISHMYRTPZNLQ-HTQZYQBOSA-N	203.286	-0.687	50	10	BBGE	
Cc1ncnc(SC(C)C)c1B(O)O	1956963451	CDAILMWUIZDSMI-UHFFFAOYSA-N	212.083	-0.035	50	10	BBGE	
Cc1nc(OCC(C)C)ncc1B(O)O	1961687084	JKHNGIFUWQOEIT-UHFFFAOYSA-N	210.042	-0.500	50	10	BBGE	
CC1(C#N)CN(CC(F)(F)C(=O)NN)C1	1962716420	VIGWTNFJBUGTAG-UHFFFAOYSA-N	218.207	-0.543	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](F)[C@@H](CO)C1	1974556750	LEZRWYJLDACIEF-GJMOJQLCSA-N	219.260	-0.983	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)[C@H]1C[C@H](O)C1	1975302490	FFVXLSVHFVYOTE-IWSPIJDZSA-N	215.297	-0.544	50	10	BBGE	
NC(=S)NNC(=O)c1ccc2nccn2c1	1976509347	PVCLJYFXCSWUBK-UHFFFAOYSA-N	235.272	-0.188	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)CC1(C(=O)NN)CC1	1979615808	KNDCPJBZBDAYAK-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@H]3CC[C@H]2O3)c1	1980055293	DYINAVMAPYNDLF-FXBDTBDDSA-N	222.053	-0.870	50	10	BBGE	
Cc1nnc(CN(C)[C@H](C)CC(=O)NN)o1	1981093267	JXUZQEMLVHPZIG-ZCFIWIBFSA-N	227.268	-0.422	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1CCCCC[C@@H]1O	1981406445	DRENLEFHODYGMB-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
Cc1nc(N2C[C@H](C)[C@@H]2C)ccc1B(O)O	1981469128	MZYIWSYNEHMBDU-CBAPKCEASA-N	220.081	-0.086	50	10	BBGE	
CNC(=O)[C@@H]1COCCN1C(=O)C[C@H](C)Cl	1982342834	GLJSIMDFNKICMM-YUMQZZPRSA-N	248.710	-0.023	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CC=C[C@H](O)C1	1984131369	FWSVNQDAIAVNHI-ZETCQYMHSA-N	235.234	-0.766	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCOC[C@H]1CF	1985770449	VDXRMZVFGQCGMQ-ZCFIWIBFSA-N	241.213	-0.718	50	10	BBGE	
C[C@@H](OC1CC(n2ccnc2)C1)C(=O)NN	1986220716	BXXCZWCLWHNXNQ-AFPNSQJFSA-N	224.264	-0.018	50	10	BBGE	
N#CC1(O)CCN(C[C@H]2CCNC2=O)CC1	1986761737	PCBSUZLXCRFTSP-SECBINFHSA-N	223.276	-0.527	50	10	BBGE	
COC12CC(C1)N([C@@H](C(=O)NN)C(C)C)C2	1986829390	GHVROHHUDTVHRK-INWMGODYSA-N	227.308	-0.136	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1COC[C@@H]1CC(=O)O	1987644353	VDMJOWCVZIGPEH-NKWVEPMBSA-N	231.252	-0.748	50	10	BBGE	
C#CCN(C)C1CN(C(=O)NC(=O)CCl)C1	1989128655	LLXCSUJVXHAWGJ-UHFFFAOYSA-N	243.694	-0.289	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@H]1[C@H](C)O	1990039982	XWQMCHLZQYOCJA-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(OC(F)F)C1	1990774371	HXTHFMYNTWCYKB-UHFFFAOYSA-N	237.206	-0.923	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)NC[C@@H]1CCNC1=O	1991286025	MWDOUBHUILCPPW-WDSKDSINSA-N	247.682	-0.424	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC=CB(O)O	1991325960	BIAZCDFZAYAVAZ-KATARQTJSA-N	223.081	-0.037	50	10	BBGE	
CO[C@]1(CO)CCN(C(=O)C=CC(=O)Cl)C1	1991651528	INBRNEBOOQODJG-SNVBAGLBSA-N	247.678	-0.082	50	10	BBGE	
C=C(CN1CCC[C@@H](N2CCC2)C1)B(O)O	1992146092	QFCATHFHCJTDTB-LLVKDONJSA-N	224.113	-0.275	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCO[C@@H](CO)C1(C)C	1997288945	FAMCTNIFXQIWGM-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
NNC(=O)CCN1CCC[C@]2(CO)CCC[C@@H]12	2000944542	PIRJCSJWOXBESJ-PWSUYJOCSA-N	241.335	-0.007	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(n2cc(C)cn2)C1	2003904391	GLJJYBRLLLNRJQ-JTQLQIEISA-N	237.307	-0.183	50	10	BBGE	
CN1CCN(CCC(=O)NN)c2cccnc21	2004300731	WDWHPWUCRITQAJ-UHFFFAOYSA-N	235.291	-0.282	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H](C2CCCC2)C1	2004403543	YYIIPTADDPNHLZ-SECBINFHSA-N	241.291	-0.606	50	10	BBGE	
Cc1cc([C@H]2CCCN2C(=O)C(=O)NN)on1	2004446824	PCKTYRLGBLUJMN-SSDOTTSWSA-N	238.247	-0.364	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@@H](CCF)C1	2004919171	VMRLSOWBIUYOCM-MRVPVSSYSA-N	239.059	-0.658	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2004934603	HPWVABPUYYAJRM-HJGDQZAQSA-N	230.076	-0.394	50	10	BBGE	
CC(C)c1ncn(-c2ccncc2B(O)O)n1	2005005557	RXJWRMNLXREKAN-UHFFFAOYSA-N	232.052	-0.535	50	10	BBGE	
CC(=O)NNC(=O)CO[C@H]1CC[C@H](C(=O)O)C1	2006345202	JDRJLHUOEWLBRF-YUMQZZPRSA-N	244.247	-0.576	50	10	BBGE	
C[C@H](CN(C)C[C@H]1[C@H]2OCCC[C@H]12)C(=O)NN	2007574926	TWEPKDLXUDEHGA-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CC(C)(CN1[C@H]2CC[C@@H](C2)[C@H]1CO)C(=O)NN	2008974249	BFOAGMVOPCNCJG-LPEHRKFASA-N	241.335	-0.152	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(O)CCCNC2)CC1	2011936639	HRAYPRLLCBYLLT-LBPRGKRZSA-N	235.287	-0.217	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@H](O)C[C@H]2C1	2012901004	YJJLXIATLWGDKF-NZHYYXIDSA-N	239.319	-0.685	50	10	BBGE	
CO[C@@H](C(=O)NCC=CB(O)O)C1CCCC1	2020068102	NYOQJDPHEUCSCU-SNVBAGLBSA-N	241.096	-0.124	50	10	BBGE	
CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)CC1(F)CC1	2025748137	ACNDEWFFMNKFKP-IUCAKERBSA-N	245.298	-0.042	50	10	BBGE	
C[C@@]12CC[C@@H]1CN(c1ncc(B(O)O)cn1)C2	2026849314	QVYRKDBIHPMTCH-KCJUWKMLSA-N	233.080	-0.607	50	10	BBGE	
CCc1c(OC)ccc(B(O)O)c1OC	2060056262	OUFHSHPSJZZBAX-UHFFFAOYSA-N	210.038	-0.054	50	10	BBGE	
Cc1nc(N2C[C@@H]3COCC[C@H]32)ccc1B(O)O	2073043738	RAGOVPKATBNASC-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
C[C@]12C[C@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2	2079012167	POKUUONSXRGTAE-GXFFZTMASA-N	245.087	-0.152	50	10	BBGE	
C#CC[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2212603446	GFPJXXJONAHKKK-SECBINFHSA-N	218.065	-0.106	50	10	BBGE	
OB(O)c1cccnc1NCCC1(O)CC1	2212612498	KXSHWLYKVHCWKO-UHFFFAOYSA-N	222.053	-0.912	50	10	BBGE	
CC[C@H](O)CN(C)Cc1cccc(B(O)O)c1	2214605858	PFXMKHKNLIBXON-LBPRGKRZSA-N	237.108	-0.431	50	10	BBGE	
CCOc1cccc(CNC(=O)C(=O)NN)n1	2217064358	YFHJDPIPYNYZBR-UHFFFAOYSA-N	238.247	-0.914	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC3CC2C3)nc1	2217172285	IXPRLFZCMIRDLS-KTOWXAHTSA-N	233.080	-0.243	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)CC1(F)F	2217176327	VBGWYQFYPXHXAF-SSDOTTSWSA-N	242.034	-0.147	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H]2CN)cc1B(O)O	2217179625	AAYLVIUVQUQHJI-WCBMZHEXSA-N	235.096	-0.781	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCO2)c1F	2217186662	NBNCLFYXYNPICF-ZETCQYMHSA-N	241.027	-0.542	50	10	BBGE	
C[C@H]1NCC[C@H]1COc1cc(B(O)O)ccn1	2217194298	UOZUCNAJUSFOED-BDAKNGLRSA-N	236.080	-0.862	50	10	BBGE	
C[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)CCO1	2217195427	KAQBFXSFACXURG-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCNC1	2217198713	FJXHSBCMIQPKCG-IUCAKERBSA-N	235.096	-0.829	50	10	BBGE	
CC1(CNc2ccc(B(O)O)cn2)CC(N)C1	2217200666	VDNZNMFXFKHXCX-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1ccnc(N[C@@H]2C[C@H]3OCCC[C@@H]23)c1	2223632590	LSPZOTZBKQWOTE-HBNTYKKESA-N	248.091	-0.259	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCCNCC1	2223665827	ISHMHUUBEYZLAG-JTQLQIEISA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(N2CCOCC23CCC3)c1	2223673715	YYIXKTSYTMUNLI-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
OB(O)c1cccnc1NC[C@@]12CC[C@@H]1CNC2	2223676764	FTJWMYRAZDFAHV-SKDRFNHKSA-N	247.107	-0.827	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)C1(B(O)O)CC1	2241473850	RBKPUBOMFIOWJX-PHDIDXHHSA-N	201.006	-0.532	50	10	BBGE	
COC(=O)c1scc(C)c1B(O)O	2241493440	NHZZPOXXWORFMS-UHFFFAOYSA-N	200.024	-0.477	50	10	BBGE	
CC[C@@H](OC1(CC)COC1)C(=O)NN	2242118959	PZWGTQAASFJXMR-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
C[C@@H]1CCN[C@@H]1CSCC(=O)NN	2242140093	YXOZBYRZLNSPRD-RNFRBKRXSA-N	203.311	-0.293	50	10	BBGE	
O=C1COC2(CN1)CN(CCCl)C2	2242226772	ZTOISUDJUQWGED-UHFFFAOYSA-N	204.657	-0.574	50	10	BBGE	
NNC(=O)CN1CCC[C@H](OCC(F)F)C1	2242681388	YSESQCYYHYZWNT-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
O=C(N=c1cco[nH]1)c1cscc1B(O)O	2243348544	ZINRKNLHGBBNOI-UHFFFAOYSA-N	238.033	-0.910	50	10	BBGE	
CC1CC(NC(=O)c2cc(B(O)O)c[nH]2)C1	2243356971	PILGOBXFGKNIAN-UHFFFAOYSA-N	222.053	-0.777	50	10	BBGE	
C[C@@H](CCC(F)(F)F)NC(=O)C#CB(O)O	2243362703	VGTWGOAWRKHHMA-LURJTMIESA-N	236.986	-0.151	50	10	BBGE	
CC1(C)CCC(=O)N1C(=O)C1(B(O)O)CC1	2243364912	FDJQRTFHHSRFNB-UHFFFAOYSA-N	225.053	-0.079	50	10	BBGE	
O=C(NC[C@H]1C[C@H]1F)c1occc1B(O)O	2243365726	QZWNFXUWDPVFPN-IYSWYEEDSA-N	227.000	-0.953	50	10	BBGE	
C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1C[C@H]1B(O)O	2243397084	VHUIFPCBEVCSFH-OORONAJNSA-N	227.069	-0.467	50	10	BBGE	
CC(C)[C@](C)(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2243397311	YTFAVJIPDALGHP-QXFUBDJGSA-N	229.085	-0.628	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C1CC1)C(=O)C#CB(O)O	2243401429	QYHBPQTYBCPVTH-VHSXEESVSA-N	221.065	-0.494	50	10	BBGE	
CO[C@@]1(C)CCN(C(=O)C2(B(O)O)CC2)C1	2243409044	AGBTZVGTTXLVRA-VIFPVBQESA-N	227.069	-0.369	50	10	BBGE	
C[C@H]1[C@H](N)CCN1C(=O)C1(B(O)O)CCC1	2243411620	XNCPPOGRHNSQSW-JGVFFNPUSA-N	226.085	-0.668	50	10	BBGE	
C=C(CS(=O)(=O)N[C@H](CC)C(C)C)B(O)O	2243412170	HSIPPAMDVNFBKX-SECBINFHSA-N	249.141	-0.091	50	10	BBGE	
CCCNCCNC(=O)C1CC(B(O)O)C1	2243413710	LXUJSPNWZULLLD-UHFFFAOYSA-N	228.101	-0.645	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@H]1O	2243419706	FIBCTBBNNXAAAB-XSPKLOCKSA-N	227.069	-0.921	50	10	BBGE	
Cc1nnc(NC(=O)[C@H]2C[C@H](B(O)O)C2)o1	2243425903	CNGJISMDAOBDNW-IZLXSQMJSA-N	225.013	-0.430	50	10	BBGE	
C=C(C)C(=O)Nc1nc(B(O)O)ccc1Cl	2243678688	MPGXKTQLXPLALO-UHFFFAOYSA-N	240.455	-0.071	50	10	BBGE	
C#CC(C)(C)C(=O)N[C@H]1CCC=C1B(O)O	2243685705	ACDMUTXUXINOHI-VIFPVBQESA-N	221.065	-0.137	50	10	BBGE	
CC(C)(C)ONC(=O)c1cocc1B(O)O	2244209434	ANKYYTPOLMBTOI-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)oc1C	2247724386	YNGPHPGYHRYBAZ-ZETCQYMHSA-N	237.064	-0.038	50	10	BBGE	
CC1(C)CCCN1C(=O)c1coc(B(O)O)c1	2247732711	IKAWFJOLHFXJHT-UHFFFAOYSA-N	237.064	-0.026	50	10	BBGE	
C[C@@H]1CCCC[C@]1(O)CNC(=O)C#CB(O)O	2247738642	TXPWNKYNKCCGAL-KOLCDFICSA-N	239.080	-0.941	50	10	BBGE	
C#CCOCCCNC(=O)C1(B(O)O)CCC1	2247754630	GVZGEIKHIFKPCQ-UHFFFAOYSA-N	239.080	-0.460	50	10	BBGE	
O=C(N1C[C@@H](CO)C2(CC2)C1)C1(B(O)O)CC1	2247757777	RTQSNHWOMRASLQ-QMMMGPOBSA-N	239.080	-0.776	50	10	BBGE	
C/C=C/CCCNC(=O)c1c[nH]nc1B(O)O	2247784768	ADOMRLOAVKJLIB-NSCUHMNNSA-N	237.068	-0.824	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2CN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787191	LZIILFPTCUURJP-RBXMUDONSA-N	237.064	-0.366	50	10	BBGE	
CO[C@H]1CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787956	XACJLXNVIQZWQH-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
O=C(NCc1ccc(O)nc1)[C@@H]1C[C@@H]1B(O)O	2247798796	XGYQHOVCOJSMMJ-SFYZADRCSA-N	236.036	-0.734	50	10	BBGE	
COC[C@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247799478	DMZZSJVEQJKDKE-KYXWUPHJSA-N	241.096	-0.219	50	10	BBGE	
CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247803688	CPXPRJCGBDWXJP-AEJSXWLSSA-N	240.112	-0.598	50	10	BBGE	
Cc1cc(O)nc(NC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2247806113	LZOIAKCHSUZRDK-RITPCOANSA-N	237.024	-0.708	50	10	BBGE	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H]1CO	2247808333	KTLQIVFNIINUQW-UTINFBMNSA-N	241.096	-0.674	50	10	BBGE	
C[C@H]1CN(C)C[C@@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810367	WUUMUDBZUHNSEA-XKNYDFJKSA-N	240.112	-0.694	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC(F)(F)C[C@@H]1CO	2247810388	XAKMPXIBUBHQLM-FSDSQADBSA-N	249.022	-0.922	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)C(C)C	2247852774	ZHONECTYEJCWCJ-SECBINFHSA-N	234.064	-0.918	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)cc1F	2247854328	BBIHEDAEVXWWJL-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cc1F)C1CC1	2247867724	LIQOHMXEUDINKS-UHFFFAOYSA-N	237.039	-0.260	50	10	BBGE	
C[C@@H]1CC[C@@H]1N(C)C(=O)c1coc(B(O)O)c1	2247871178	XCKZEEZDKHAYLB-APPZFPTMSA-N	237.064	-0.170	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)NCCF	2247872760	YCUZJEDICJDAOF-UHFFFAOYSA-N	241.027	-0.926	50	10	BBGE	
C#CC1(CNC(=O)c2cscc2B(O)O)CC1	2247877048	BDIXYWJVHNASBA-UHFFFAOYSA-N	249.100	-0.429	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H]2CC[C@H]21	2247877984	GTRQBYPXUKUROK-VXNVDRBHSA-N	235.048	-0.416	50	10	BBGE	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247899006	JJPLDXGLOGZLGF-XFWSIPNHSA-N	240.112	-0.552	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2COC[C@@H]2C1)[C@H]1C[C@@H]1B(O)O	2247899549	OAUZITNHRINLLJ-MBXMOIHESA-N	239.080	-0.610	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@H](CCO)C1	2247902507	GCDHDEQFQCNTSW-XNWIYYODSA-N	241.096	-0.530	50	10	BBGE	
C#CCC(=O)N1CCc2ccc(B(O)O)cc21	2248419861	JFHMFRPTBYFIGW-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
Cc1cc(NC(=O)C[C@@H](C)O)cc(B(O)O)c1	2248442947	WANAHULNSWWENS-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(Nc1ncccc1O)C1CC(B(O)O)C1	2248585014	FHWMCKAUPHQTAO-UHFFFAOYSA-N	236.036	-0.021	50	10	BBGE	
CC[C@H](CNC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248586286	YNNLOGPELDMNIR-PRJMDXOYSA-N	243.068	-0.534	50	10	BBGE	
CC[C@H](C)NC(=O)CN1CCC(B(O)O)CC1	2249356512	LXQVPUVLWGBULV-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(Nc1ncco1)c1cccc(B(O)O)c1	2252746617	RVKMREJKQSLQNK-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
CCn1cc(NC(=O)c2coc(B(O)O)c2)cn1	2255455610	BZUXHDWPHQBRGV-UHFFFAOYSA-N	249.035	-0.572	50	10	BBGE	
CO[C@H](CNC(=O)C#CB(O)O)c1ccccc1	2255464288	UMIQYOGWUYANJQ-LLVKDONJSA-N	247.059	-0.494	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1occc1B(O)O	2255479863	VKZJTNUAYZRUPZ-DTWKUNHWSA-N	249.075	-0.265	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NC(=O)c1occc1B(O)O	2255481800	LWRJECNGWYGHCU-CHIQAWFVSA-N	249.075	-0.266	50	10	BBGE	
C#C[C@H](C)NC(=O)c1cc(OC)ccc1B(O)O	2255505301	LRXVNCRWLFFBJJ-QMMMGPOBSA-N	247.059	-0.874	50	10	BBGE	
Cc1cccc(C(=O)N2CC[C@@H]3C[C@H]32)c1B(O)O	2255512793	FZSBIODGTIXQIF-MWLCHTKSSA-N	245.087	-0.091	50	10	BBGE	
C[C@@]1(CCO)CCN1C[C@@H]1CC[C@@H]1C(=O)NN	2298164936	RILQSPRQBSLFTH-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
CC(C)[C@@]12CC[C@@H](NC(=O)C#CB(O)O)[C@@H]1C2	2298367641	OKIHYOUKMFKPLR-UMNHJUIQSA-N	235.092	-0.057	50	10	BBGE	
CC1(C)CN[C@@H](CNC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369494	WJMMDFGZALYXQC-HLTSFMKQSA-N	240.112	-0.646	50	10	BBGE	
O=C(NC[C@@H]1C[C@@]12CCOC2)[C@H]1C[C@H]1B(O)O	2298375698	WDOQXQFEFOAYAF-WYOJIJJFSA-N	239.080	-0.608	50	10	BBGE	
CO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H]1C	2298377359	NTRGZXHIINTMIP-JXUBOQSCSA-N	241.096	-0.125	50	10	BBGE	
CN(C)[C@H]1C[C@H]2C[C@H]1CN2CCCC(=O)NN	2302402777	BKHIKWPJQNAWBD-AXFHLTTASA-N	240.351	-0.219	50	10	BBGE	
O=C([C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)N1CC[C@H](B(O)O)C1	2303103511	FMDSYJBOBZIPII-ALMWHKAHSA-N	235.092	-0.036	50	10	BBGE	
CC[C@](C)(CN(CCO)C[C@@H](C)O)C(=O)NN	2303424935	XAYFSSIUNWTZRH-MWLCHTKSSA-N	247.339	-0.932	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1[C@H](O)C2	2306282835	HBUDYKUTCBQIIW-XWLWVQCSSA-N	241.335	-0.010	50	10	BBGE	
CO[C@H]1COCCN([C@@H](C)CCC(=O)NN)C1	2306798638	GZDCBVIAWGJCJV-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
OC[C@@H]1C[C@@H]2CC[C@H]1N2c1ncccc1B(O)O	2312612363	SPRGTPTWAOTEEN-ATZCPNFKSA-N	248.091	-0.889	50	10	BBGE	
O=Cc1ccc(N[C@H]2CC[C@H]2CO)cc1B(O)O	2317309838	WLCJTNLSGUNWEG-CABZTGNLSA-N	249.075	-0.638	50	10	BBGE	
C#C[C@@H]1CCCCN1c1cc(B(O)O)c(F)cn1	2320798562	BGSOKCWKYDANQX-SECBINFHSA-N	248.066	-0.107	50	10	BBGE	
NNC(=O)CCCCCN1C(=O)[C@H]2C[C@H]2C1=O	68689899	KIIHULUBAMOLCW-OCAPTIKFSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)COc1ccc2c(c1)OCC2=O	82465070	OGQMAJLLHRAUHE-UHFFFAOYSA-N	222.200	-0.370	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC[C@@H]1CCCO	82468737	UAUIOHNXQHHKPY-DTWKUNHWSA-N	215.297	-0.398	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](COc2cccnc2)O1	110565588	ASEFCHWTLNVWIS-ZJUUUORDSA-N	237.259	-0.002	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1CC(O)C2	111397445	UCZNMMTYEPLWJI-KJLIAQIISA-N	241.335	-0.011	50	10	BBGE	
CN(C)NC(=O)N1CCO[C@@H](CC(=O)O)C1	149098624	DHTYADDJLVSAHI-ZETCQYMHSA-N	231.252	-0.652	50	10	BBGE	
CCCN1CCN(C[C@H](O)CCl)C(=O)C1=O	166586215	RJBSNWWWNFTWSG-MRVPVSSYSA-N	248.710	-0.333	50	10	BBGE	
COC(=O)[C@H](OC)/C(C=O)=C/CC(=O)O	215705592	MEIGARGKFTVWHZ-GWSCVKMXSA-N	216.189	-0.226	50	10	BBGE	
CN(CC1CC1)C[C@@H]1CC[C@@H](C(=O)NN)O1	223086426	LUGYERUPKAWHJS-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
NCCCCNS(=O)(=O)CCCl	232299012	HHHQRYYKJVFJIW-UHFFFAOYSA-N	214.718	-0.117	50	10	BBGE	
CN1CCC[C@@H](COCC(=O)NN)C1	259015931	OXEKFFRHERSPNW-MRVPVSSYSA-N	201.270	-0.665	50	10	BBGE	
CN1CCC(C(=O)NN)([C@H]2CCN(C)C2)CC1	259023014	QCDVHQMCXGQYGW-JTQLQIEISA-N	240.351	-0.360	50	10	BBGE	
N#C[C@@H](O)c1ccc(N2CC(=O)NC(=O)C2)cc1	260682325	RWMDHEKTSZHPBE-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
Cc1ccc(Br)c(B(O)O)n1	306599807	IFCNZKYGZGTEKM-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
OB(O)c1cc(F)ccc1CN1CCC1	306713521	YKMKDHZHWCSQHO-UHFFFAOYSA-N	209.029	-0.289	50	10	BBGE	
Nc1cc(B(O)O)c2ccsc2c1N	306957840	UPMIXEXDJHMFET-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
C[C@H]1[C@@H](N(C)C)CCN1CC(=O)NN	307276498	WMBUIMWOBMTIIT-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
Nc1c(B(O)O)ccc2sc(O)cc12	307421978	BPOQBCCTGRSVFQ-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
CC[C@H](C)N(CCO)[C@H](COC)C(=O)NN	380610200	XVTZFDBYRZOUGZ-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
CCN(C)CCN=c1[nH]c(CCl)nc(=N)[nH]1	381024178	XGHKEWGTNXHJBT-UHFFFAOYSA-N	244.730	-0.192	50	10	BBGE	
CN(CCC(N)=O)[C@H](C(=O)NN)C(C)(C)C	382059896	DFSXINYRIMARAX-MRVPVSSYSA-N	230.312	-0.802	50	10	BBGE	
CC(=O)OCC(/C=C/C=O)=NNC(N)=O	383921905	LDJGIVBVYHPNNJ-SEHBDGRUSA-N	213.193	-0.671	50	10	BBGE	
NNC(=O)[C@H](CN1CC(O)C1)c1ccccc1	384183513	WXDDLFDZAGBFAP-LLVKDONJSA-N	235.287	-0.563	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387636713	RVYHZOFACAGMTK-YIZRAAEISA-N	213.281	-0.526	50	10	BBGE	
O=C(O)C(=O)C(=O)NNC(=O)c1cccs1	393823576	NEHLXFQDXATCIM-UHFFFAOYSA-N	242.212	-0.837	50	10	BBGE	
C[C@H](CO)N(C)[C@@H](C(=O)NN)C(C)(C)C	395593389	NGOBSDJVPKJOMQ-SFYZADRCSA-N	217.313	-0.296	50	10	BBGE	
O=C(CCCl)c1cc(O)cc(B(O)O)c1	396021800	LBRRRWAHHUTCKH-UHFFFAOYSA-N	228.440	-0.116	50	10	BBGE	
CCOc1cc(CC(C)=O)cc(B(O)O)c1	396080538	XHAIURXEGAPFIR-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
CS(=O)(=O)Nc1ccc(Cl)cc1B(O)O	404830706	UOIFUBQNXLFADZ-UHFFFAOYSA-N	249.484	-0.609	50	10	BBGE	
CC1(C(=O)Nc2ccnc(B(O)O)c2)CC1	405010114	SODXTVWZVHHABT-UHFFFAOYSA-N	220.037	-0.500	50	10	BBGE	
CCO[C@H](C)C(/C=N/NC(N)=O)=N\NC(N)=O	585669195	JMUDXWIRQXKVIJ-ZJPCRMLISA-N	244.255	-0.910	50	10	BBGE	
COC1(Cn2cc(B(O)O)cn2)CCCC1	694543828	LJBNHCYKKYUTFW-UHFFFAOYSA-N	224.069	-0.478	50	10	BBGE	
Cc1cn(C[C@@H]2CC[C@H](C(=O)NN)O2)c(O)n1	699584957	HRWYSLGHDDMAKJ-JGVFFNPUSA-N	240.263	-0.565	50	10	BBGE	
CC(C)O[C@H]1CCN([C@@H](C)C(=O)NN)C1	701686931	ZFPRLZJLVHQWMC-IUCAKERBSA-N	215.297	-0.136	50	10	BBGE	
C[C@@H](CN1CC(C(F)F)C1)C(=O)NN	706487856	PNWUPOSXVLAMSJ-YFKPBYRVSA-N	207.224	-0.191	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)Cc1nnnn1C	707483726	ZQQVTHXEIHWNSR-YFKPBYRVSA-N	217.660	-0.204	50	10	BBGE	
CSCCC(=O)NNc1nccn(C)c1=O	747945446	HJNBCZMTXYSUGS-UHFFFAOYSA-N	242.304	-0.024	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)N1CC[C@@H]1C(N)=O	757145909	LZNUNNRZBOFIJO-RFZPGFLSSA-N	233.655	-0.591	50	10	BBGE	
C[C@@H](CCl)C(=O)N1CC[C@H]1C(N)=O	757146117	MTGZKBXMJGSFFZ-WDSKDSINSA-N	204.657	-0.053	50	10	BBGE	
CC(C)[C@H](O)CC(=O)NN(C)C[C@@H](C)O	821217663	NXOWHEBUTNGEBE-RKDXNWHRSA-N	218.297	-0.263	50	10	BBGE	
CN(C)CC(=O)NNC(=O)C[C@H]1CCCO1	846632532	BLALMRNOARLHFX-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
CCOCCOCC(=O)NN(C)C[C@H](C)O	910167244	FULHKEQOBNCMHG-VIFPVBQESA-N	234.296	-0.617	50	10	BBGE	
O=C(C[C@H]1CCCO1)NNC(=O)c1ncon1	1134613667	ACOKIYVYDALRMI-ZCFIWIBFSA-N	240.219	-0.600	50	10	BBGE	
COc1cc(O)ncc1C(=O)NNC(C)=O	1290392014	PGLVFHOEDKGIEJ-UHFFFAOYSA-N	225.204	-0.423	50	10	BBGE	
O=C(NNC(=O)c1cnsn1)c1cc[nH]n1	1470048960	CXTOCZAQZJRYSN-UHFFFAOYSA-N	238.232	-0.664	50	10	BBGE	
C=C(CN(C)C)C(=O)NNC(=O)NC1CC1	1625703184	RLQVXAQDMMLFJP-UHFFFAOYSA-N	226.280	-0.403	50	10	BBGE	
Br[C@H]1C[C@@H]1CN=c1nn[nH][nH]1	1880433423	GAXAALFAPRNGOP-DMTCNVIQSA-N	218.058	-0.183	50	10	BBGE	
CO[C@@H]1C[C@H](NC(=O)CCl)C[C@H]1O	1882755667	GIEGVERYQBCAEN-FSDSQADBSA-N	207.657	-0.120	50	10	BBGE	
OC[C@@H]1[C@H]2C[C@H]1N(C[C@H](O)CCl)C2	1884049422	WEYZFOULDRCOCB-JQCXWYLXSA-N	205.685	-0.101	50	10	BBGE	
C[C@@H](NS(=O)(=O)CCl)c1nc(=O)o[nH]1	1885003277	PPWLFLAVRZTHQK-GSVOUGTGSA-N	241.656	-0.460	50	10	BBGE	
CCN(CCF)[C@@H](COC)C(=O)NN	1886422955	GJSQALAURIDJGX-ZETCQYMHSA-N	207.249	-0.717	50	10	BBGE	
CCCN(CCC)NC(=O)[C@@H](O)CN	1889781374	JRLYNAFTBJAENW-QMMMGPOBSA-N	203.286	-0.541	50	10	BBGE	
COC[C@]12C[C@H]1CN([C@@H](C)CC(=O)NN)C2	1894669662	MBOGGRZFOKWODT-ATZCPNFKSA-N	227.308	-0.277	50	10	BBGE	
C=CCN(C)c1ccc(B(O)O)cc1C#N	1901199978	PDBMVJUSZKKTHI-UHFFFAOYSA-N	216.049	-0.140	50	10	BBGE	
NNC(=O)[C@@]12CCC[C@@H]1CS(=O)(=O)C2	1901538972	HNNXHGADRXCUBN-HTRCEHHLSA-N	218.278	-0.809	50	10	BBGE	
OB(O)[C@@H]1CCN(CC23CC(F)(CO2)C3)C1	1905207625	FFQFJNLARRTZSD-XNWIYYODSA-N	229.060	-0.194	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)N1CCC[C@@H]1CO	1905584446	PGUNTSJSDJGKAJ-DTWKUNHWSA-N	242.084	-0.888	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@]2(C)C[C@@]2(CO)C1	1906340438	NAIACFRFXUNLKH-JLLWLGSASA-N	241.335	-0.151	50	10	BBGE	
O=C(C[C@H]1CNC[C@H]1O)NC1CC(Cl)C1	1909250402	JHURADIMUYCVFL-DFAZKQQPSA-N	232.711	-0.157	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)[C@@]12CCC[C@@H]1C2	1913605439	IXHWQLQNIFINCO-PRHODGIISA-N	246.075	-0.110	50	10	BBGE	
N#CC[C@@H]1CCN(CCOCC(=O)NN)C1	1915017673	IDSVWLDHXBTMLV-SECBINFHSA-N	226.280	-0.772	50	10	BBGE	
OB(O)c1cc(F)cc(CN2CC(F)C2)c1	1917262563	QSNVFUPUGZFXKM-UHFFFAOYSA-N	227.019	-0.341	50	10	BBGE	
O=C(Cc1cnoc1)NNC(=O)C(F)(F)F	1923407760	GFNOUKQPDYZKQW-UHFFFAOYSA-N	237.137	-0.073	50	10	BBGE	
CN(C)NC(=O)[C@H](N)C[C@@H]1CCCO1	1926589443	JGOYLVCZKMYROF-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
O=C(Cn1ccnn1)N1CC(CCl)C1	1928688706	LIDXMTPOLVDBHM-UHFFFAOYSA-N	214.656	-0.025	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCc2nnn(C)n2)C1	1928754655	DFFXHVBMBIRVLZ-RNFRBKRXSA-N	230.703	-0.779	50	10	BBGE	
O=C(COC1CCCCC1)NNCCO	1929838817	TXJGQXDVACTRGB-UHFFFAOYSA-N	216.281	-0.051	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H]2CO)CC1	1931260640	RBGNATNHUBWEQG-QMMMGPOBSA-N	213.281	-0.787	50	10	BBGE	
C[C@H]1CCO[C@@H]1COCCC(=O)NN	1932229153	MHIIOSIQRMESIH-JGVFFNPUSA-N	202.254	-0.192	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)O1	1932846951	YMRVKQGYXZVEJU-RXMQYKEDSA-N	203.198	-0.737	50	10	BBGE	
C[C@](N)(B(O)O)c1cnc2sccn12	1934645209	BEZGDMSBPNHKOO-SSDOTTSWSA-N	211.055	-0.418	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@@]12CCOC2	1935064926	MRSHGJYYFKDMMI-YLWLKBPMSA-N	215.278	-0.723	50	10	BBGE	
O=C1CN([C@@H]2C[C@@H]3CC[C@H]2O3)CC(=O)O1	1935284878	QEEMIVPPECUFAR-XLPZGREQSA-N	211.217	-0.308	50	10	BBGE	
C[C@H]1COCCN(CC(F)(F)C(=O)NN)C1	1935925198	IAZPWUUAZZGOPU-SSDOTTSWSA-N	237.250	-0.420	50	10	BBGE	
CN(CCCCCO)CC(F)(F)C(=O)NN	1935932891	UJLVNCFJXSXJEG-UHFFFAOYSA-N	239.266	-0.294	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CCCO)C1CCC1	1941090406	ZOHPHNHDAVDMCU-KOLCDFICSA-N	241.335	-0.151	50	10	BBGE	
O=C(CCl)N1C[C@H](O)[C@@H]2COC[C@H]21	1954369842	ZKLGLHAXEBKACL-QYNIQEEDSA-N	205.641	-0.557	50	10	BBGE	
O=C(CCl)NC1CN([C@H]2CCOC2)C1	1956727523	SMJAEUUFSYXTIB-QMMMGPOBSA-N	218.684	-0.186	50	10	BBGE	
C[C@H]1CN(CCCC(=O)NN)CC[S@]1=O	1961553732	PLELBZJSYSJJCG-VXJOIVPMSA-N	233.337	-0.791	50	10	BBGE	
OB(O)c1csc(N2CC(CCF)C2)n1	1961710087	ITXRWGJQAVNBIV-UHFFFAOYSA-N	230.073	-0.381	50	10	BBGE	
CCC1(N(C)c2ncncc2B(O)O)CC1	1981410621	BOEJKQQJUILVNM-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC(CF)C2)n1	1981445158	DHNQVZHKXLELRM-UHFFFAOYSA-N	224.044	-0.524	50	10	BBGE	
NNC(=O)C(F)(F)CCN1CCO[C@H]2C[C@H]21	1984128731	TUUWRURJHYXUNC-RQJHMYQMSA-N	235.234	-0.525	50	10	BBGE	
NNC(=O)COCCOC1CC2(COC2)C1	1985544661	XICUGMYEJIFZIY-UHFFFAOYSA-N	230.264	-0.812	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CN2C	1987529837	JNMOCSCOILACSL-KXUCPTDWSA-N	226.324	-0.611	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N([C@@H](C)CC(=O)NN)C1	1988727971	XLTRESPGMRFNFG-XHNCKOQMSA-N	233.287	-0.186	50	10	BBGE	
C=C[C@]1(O)CCN([C@@H](C(=O)NN)C(C)C)C1	1990540441	RYJQMYVRWCOYQJ-KOLCDFICSA-N	227.308	-0.376	50	10	BBGE	
N#C[C@H]1CCN(C(=O)NCC=CB(O)O)C1	1991331867	PYXXHJJYPNBQSJ-MRVPVSSYSA-N	223.041	-0.890	50	10	BBGE	
C[C@H](OC(C)(C)C)C(=O)NCC=CB(O)O	1991332347	QTSBVESLVMDNDK-QMMMGPOBSA-N	229.085	-0.126	50	10	BBGE	
C[C@H]1CCCN(C(=O)NCC=CB(O)O)C1	1991335284	YHUWQPUWPZVSDK-VIFPVBQESA-N	226.085	-0.004	50	10	BBGE	
N[C@H]1CCN(C(=O)C=CC(=O)Cl)C[C@H]1CO	1991649640	GBXMZJRKXJLTLO-YUMQZZPRSA-N	246.694	-0.524	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](Cn2cc(F)cn2)O1	1992089952	LRDSYLDEOLTRJQ-HTQZYQBOSA-N	228.227	-0.440	50	10	BBGE	
O=C(NCC#CB(O)O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	1992141917	AHJORVHONMJVPH-HOTMZDKISA-N	219.049	-0.980	50	10	BBGE	
C=C(CN1CCN(CC)C(C)(C)C1)B(O)O	1992160127	SAUVXUPZQSAELC-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C=C(CN(C)CC1COCCOC1)B(O)O	1992168162	WHUDATRYZLFFMU-UHFFFAOYSA-N	229.085	-0.851	50	10	BBGE	
CC1(C)C[C@@](C)(CO)CN1CCC(=O)NN	1992771864	WQDSBGIAZYBKGU-LLVKDONJSA-N	229.324	-0.151	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@H]1c1noc(C)n1	1997766801	RUUDHEOJPOXCNT-YUMQZZPRSA-N	239.279	-0.107	50	10	BBGE	
NNC(=O)COCCN1CCn2cccc2C1	2004185275	SHUNVQMPCULGDW-UHFFFAOYSA-N	238.291	-0.690	50	10	BBGE	
C[C@H]1C[C@H](CO)CCN1CCOCC(=O)NN	2004910655	YEKUQRJBQDPYBM-VHSXEESVSA-N	245.323	-0.914	50	10	BBGE	
OB(O)c1cncnc1N1CC(C(F)(F)F)C1	2004919288	XBUJFPPDKHWQKB-UHFFFAOYSA-N	246.985	-0.845	50	10	BBGE	
COC[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@H]1C	2006564185	VKJWVRLJUXPZKN-VHSXEESVSA-N	241.335	-0.029	50	10	BBGE	
CO[C@H](Cn1cc(B(O)O)ccc1=O)C(C)C	2008840435	MHHVZTJBFGOSGH-SNVBAGLBSA-N	239.080	-0.801	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CCC(O)CC2)C1	2010834311	BFJHRMWPABOZHB-ZJUUUORDSA-N	241.335	-0.151	50	10	BBGE	
OB(O)c1ccccc1OCCc1cccnn1	2029678422	HJWZRLUENICARV-UHFFFAOYSA-N	244.059	-0.222	50	10	BBGE	
CCN1CCN(c2ccc(B(O)O)cn2)[C@H](C)C1	2052473467	SVPRZKVTWGGDIQ-SNVBAGLBSA-N	249.123	-0.708	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@@H]2CC[C@@H]3N)CC1	2057692843	JQRMAIGNFQGSSK-OUJBWJOFSA-N	249.314	-0.009	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1ccccc1B(O)O	2079011229	AYSCPBGDXRMXHR-UHFFFAOYSA-N	245.087	-0.150	50	10	BBGE	
OC[C@@]1(O)CCN(CCCl)C[C@H]1O	2209146832	AVGXLXBQZVGPKW-SFYZADRCSA-N	209.673	-0.985	50	10	BBGE	
O=c1ccn(Cc2cscc2B(O)O)cc1	2211136946	YHBTUFBSBWTADN-UHFFFAOYSA-N	235.073	-0.362	50	10	BBGE	
C#CC1CC(Nc2cc(B(O)O)ccn2)C1	2212601773	SRALVIQNIXOOSI-UHFFFAOYSA-N	216.049	-0.415	50	10	BBGE	
C[C@]1(Nc2cc(B(O)O)ccn2)CCOC1	2212604805	ZDHVHIGHJMDNAD-JTQLQIEISA-N	222.053	-0.648	50	10	BBGE	
CC12CC(CN1c1cc(B(O)O)ccn1)C2	2212612260	JCPRRDQSLFMMFM-UHFFFAOYSA-N	218.065	-0.250	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CCC[C@@H](CO)C1	2215772836	QFGPVUFMRKMYJQ-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cnc([N+](=O)[O-])c1	2215773168	RSFBSEYFJWFWBH-RQJHMYQMSA-N	239.235	-0.193	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@H]3[C@@H]2CO)CCC1	2216527750	HCAOQTFTPJPUPY-AEJSXWLSSA-N	239.319	-0.541	50	10	BBGE	
Cc1cnc(OC[C@H](N)C(C)C)cc1B(O)O	2217164734	CNGPEZRJIRXQFO-JTQLQIEISA-N	238.096	-0.568	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]3C[C@@H]3C2)[nH]c1	2217171627	CSAXSCAKJGUVEZ-PSVAKVPMSA-N	233.080	-0.964	50	10	BBGE	
CC[C@@](C)(CN)N(C)c1cc(B(O)O)ccn1	2217173689	SROXWAQYJWYRNB-NSHDSACASA-N	237.112	-0.675	50	10	BBGE	
CC[C@@](C)(O)CNc1nccc(B(O)O)c1F	2217181523	RDQZNEFGPDFQND-SNVBAGLBSA-N	242.059	-0.527	50	10	BBGE	
Cc1cnc(NC2(CN)CCC2)cc1B(O)O	2217183890	LMHUYMUXESTGFB-UHFFFAOYSA-N	235.096	-0.637	50	10	BBGE	
CC1(C)C[C@@H](N)[C@H]1Oc1ccc(B(O)O)cn1	2217188677	RVVSWZFYSYOILT-PSASIEDQSA-N	236.080	-0.734	50	10	BBGE	
CN(C)CCCN(C)c1cc(B(O)O)ccn1	2217195486	KPSWJZQVNXJGMA-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
CC1(C)C[C@H](N)CN1c1ccc(B(O)O)cn1	2217204685	NJTATUAEKHMRSG-VIFPVBQESA-N	235.096	-0.923	50	10	BBGE	
CC(C)[C@@H]1NCC[C@@H]1Nc1ncccc1B(O)O	2223627744	NVGGNXMJKOCZFD-QWRGUYRKSA-N	249.123	-0.440	50	10	BBGE	
C[C@H](CNc1ncccc1B(O)O)c1ncon1	2223672183	DWLRXBAYDWKOMX-SSDOTTSWSA-N	248.051	-0.640	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ncccc1B(O)O	2223674561	LSWLZDQMWVTSTB-SCVMZPAESA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1ccc(N2CCC23CCNCC3)nc1	2223676233	YMKDJSPVYYYUAL-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
CC(C)n1cc(Nc2ncc(B(O)O)cn2)cn1	2223679920	WGJOMBCHINRJSJ-UHFFFAOYSA-N	247.067	-0.323	50	10	BBGE	
O=C(N1CC(CF)C1)C1(B(O)O)CC1	2241473883	RTTROYBSSUXOCO-UHFFFAOYSA-N	201.006	-0.579	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C(F)(F)F	2241556296	VJDFRQJQTPURHZ-UHFFFAOYSA-N	239.971	-0.676	50	10	BBGE	
NS(=O)(=O)N[C@H]1C[C@H](Br)C1	2242386602	UAWMWZVHLAUJKC-JPYJGEKTSA-N	229.099	-0.295	50	10	BBGE	
C=CCN(CC)C(=O)c1coc(B(O)O)c1	2243347097	HFCCYFXAAGGHDA-UHFFFAOYSA-N	223.037	-0.393	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)C1(B(O)O)CCC1	2243348278	WKVPFZVSVIERIP-QMMMGPOBSA-N	229.085	-0.123	50	10	BBGE	
O=C(NCCC1CC(O)C1)[C@H]1C[C@@H]1B(O)O	2243391089	GIEMPWOXGJSDHU-PEBLOWIWSA-N	227.069	-0.874	50	10	BBGE	
CN(C)[S@](C)(=O)=NC(=O)C1CC(B(O)O)C1	2243396476	MPTFXPGGNXEJQK-JZUDVXHYSA-N	248.113	-0.660	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@H]1CC=CCC1	2243401139	MQRAQFCQCOYERC-JTQLQIEISA-N	221.065	-0.136	50	10	BBGE	
CC[C@H](O)[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243420620	WISJMWQKPQTIML-JBDRJPRFSA-N	229.085	-0.485	50	10	BBGE	
C#CC1(Nc2ccc(B(O)O)cn2)CCC1	2244931905	WHBMYRBHOAESMB-UHFFFAOYSA-N	216.049	-0.271	50	10	BBGE	
Cc1ncnc(NC(=O)C2(B(O)O)CCC2)n1	2247736308	UQVDXROGENMVLM-UHFFFAOYSA-N	236.040	-0.484	50	10	BBGE	
CC#CCNC(=O)c1cccc(B(O)O)c1F	2247752484	QFRJBZMISNIMAY-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
CC[C@]1(NC(=O)C2(B(O)O)CCC2)CCNC1	2247759207	YWYSPCOLUXWULO-JTQLQIEISA-N	240.112	-0.358	50	10	BBGE	
NC1CCC(NC(=O)[C@H]2C[C@@H](B(O)O)C2)CC1	2247787217	MFBQXFTUEMGANK-BQKDNTBBSA-N	240.112	-0.375	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)C1CC(B(O)O)C1	2247790684	IRNVHBZERUFVTB-CQESDAACSA-N	239.080	-0.465	50	10	BBGE	
CCC(CC)NC(=O)c1cn(C)nc1B(O)O	2247795781	NYOUIPRSQPKPJQ-UHFFFAOYSA-N	239.084	-0.982	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@@H]1N	2247807313	QMPMFMZYMQZGJH-XKNYDFJKSA-N	240.112	-0.565	50	10	BBGE	
C#Cc1cccc(N(C)C(=O)C#CB(O)O)c1	2247849100	VKAMTTYKDMFZEN-UHFFFAOYSA-N	227.028	-0.354	50	10	BBGE	
CC1(C)CC[C@H]1NC(=O)c1occc1B(O)O	2247853329	KKTVUABEUUBWSZ-MRVPVSSYSA-N	237.064	-0.122	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)C1(B(O)O)CCC1	2247874361	LJDIFYOIGNOMBJ-DTORHVGOSA-N	241.096	-0.339	50	10	BBGE	
COc1ccc(C(=O)NC2CC2)c(B(O)O)c1	2247891418	IRRIGEZXKBULML-UHFFFAOYSA-N	235.048	-0.733	50	10	BBGE	
CCOC1(C)CN(C(=O)C2CC(B(O)O)C2)C1	2247892481	BJYRHQUVEFMSMU-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCO[C@@H]21)C1CC(B(O)O)C1	2247908994	CYAGMYBYEUJIHY-SIVIVCJJSA-N	239.080	-0.610	50	10	BBGE	
O=C(CCc1ccccn1)NCC#CB(O)O	2248415083	UTTVEWYLECPCQY-UHFFFAOYSA-N	232.048	-0.854	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)C1CC=CC1	2248420581	WXSHKCFTWCQMTI-UHFFFAOYSA-N	232.048	-0.334	50	10	BBGE	
C[C@@H](NC(=O)C1(B(O)O)CCC1)[C@@H](C)C(=O)O	2248579114	XTQATXXUTRTWPK-RNFRBKRXSA-N	243.068	-0.391	50	10	BBGE	
C[C@H](C(=O)O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2248589967	XFTIOHXHZLHUMA-JAFIHTMFSA-N	243.068	-0.535	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2249419771	LDDUHGQDNNKLEB-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1cocc1B(O)O)C2	2249433994	UACZSMJNRCSQCN-CPCISQLKSA-N	235.048	-0.559	50	10	BBGE	
COCCN(C[C@H](C)O)[C@@H](C(=O)NN)C(C)C	2250544557	CIELCFDHRQCRHJ-VHSXEESVSA-N	247.339	-0.670	50	10	BBGE	
Cc1nnc(NC(=O)C2(B(O)O)CCC2)n1C	2250777053	DEVMUPKRCFNVJZ-UHFFFAOYSA-N	238.056	-0.541	50	10	BBGE	
C#C[C@]12C[C@H](CCN1CC(=O)NNC(C)=O)C2	2250891754	QQDHINUQHOEVER-KLPPZKSPSA-N	235.287	-0.359	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1ccoc1B(O)O	2255468954	JARXDZJOJAXZIO-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@H]32)c(B(O)O)c1	2255509336	JSPLOGQJWCWUKG-JOYOIKCWSA-N	245.087	-0.091	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2nnccc2C1	2255569253	UVWNQFULPBPUBP-DTWKUNHWSA-N	247.063	-0.776	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256016728	MXTCTEWFYOLPTM-QMMMGPOBSA-N	247.059	-0.786	50	10	BBGE	
OB(O)c1ccc2nccc(OC3COC3)c2c1	2257582164	LYDIBLLFWCFRST-UHFFFAOYSA-N	245.043	-0.308	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1cocc1B(O)O	2258127543	JUMLKVPSSKBZQE-DKCNOQQISA-N	249.075	-0.122	50	10	BBGE	
C#C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2258130384	GIILAQUFTXLAKY-SNVBAGLBSA-N	247.059	-0.509	50	10	BBGE	
CC1(C)C[C@@H](N)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369694	BTFBRRROGCIHMK-DJLDLDEBSA-N	240.112	-0.422	50	10	BBGE	
C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2B(O)O)OC1	2298374861	QHBIXKPNOPLCDV-SGIHWFKDSA-N	241.096	-0.219	50	10	BBGE	
O=C(N[C@H]1C[C@@H]([C@@H](F)CO)C1)[C@@H]1C[C@H]1B(O)O	2298376247	OLCVNHJFHYWBJQ-WUNNTHRKSA-N	245.059	-0.926	50	10	BBGE	
C[C@@H]1C[C@@H](C)C1NC(=O)c1ccoc1B(O)O	2301197931	KREJCBHUAWXDDO-RNFRBKRXSA-N	237.064	-0.266	50	10	BBGE	
CO[C@@H]1CC(OC[C@@H](C)C(=O)NN)C[C@H]1OC	2301615114	VTCOUUAXZWAGAA-SZEHBUNVSA-N	246.307	-0.179	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C[C@@H]3CNC[C@@H]32)CC1	2309747375	FCRRXYPIPDFZOH-VWYCJHECSA-N	249.314	-0.281	50	10	BBGE	
CO[C@@H]1C[C@H]1CNc1ccc(B(O)O)cc1C#N	2317163001	NHPDZCFLHPSHID-JOYOIKCWSA-N	246.075	-0.315	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@H]1C	82467552	UKMAEJDSXXGQGB-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCCC[C@@H]1C(N)=O	82470027	QDUXGNMDGLNQQZ-JGVFFNPUSA-N	228.296	-0.905	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C1CC1	82470829	BZFMEHWKQKCEPL-MRVPVSSYSA-N	201.270	-0.788	50	10	BBGE	
NNC(=O)CCCN1C(=O)CCCC1=O	82471382	CPDVYIUKCJDDOQ-UHFFFAOYSA-N	213.237	-0.704	50	10	BBGE	
COCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	82472391	GPKQMMXMKDBDIS-YUMQZZPRSA-N	234.321	-0.097	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnsn1	89994642	UHXFPAISHAFXTP-UHFFFAOYSA-N	232.290	-0.338	50	10	BBGE	
CCOCCCC(=O)NNC(=O)c1c[nH]nn1	104647379	XBRSQSGRDHIZFB-UHFFFAOYSA-N	241.251	-0.618	50	10	BBGE	
C[C@@H](CCN(C)C)N1CC(=O)OC(=O)C1	111218209	NJUZVBHXEAVGCL-QMMMGPOBSA-N	214.265	-0.288	50	10	BBGE	
CCOCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	113993382	GVHQJIFASHTXRB-HLTSFMKQSA-N	242.275	-0.262	50	10	BBGE	
COC[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1	151166396	DAEJENDJYXUTKD-ZCFIWIBFSA-N	240.263	-0.238	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1CCCC[C@@H]1O	157203106	HQMXSSHPYOLEHZ-ZJUUUORDSA-N	243.307	-0.611	50	10	BBGE	
C[C@H](Oc1ccc(C(N)=O)c(F)c1)C(=O)NN	157630422	YRRCPYDTVFPNLC-YFKPBYRVSA-N	241.222	-0.318	50	10	BBGE	
CCN(C)CCOc1cccc(B(O)O)c1	203190962	QHYKMHDGIPGHJY-UHFFFAOYSA-N	223.081	-0.303	50	10	BBGE	
CCC[C@@H](N)C(=O)N[C@@H](CC(C)C)B(O)O	213616439	DWDSWBYEFFOINZ-BDAKNGLRSA-N	230.117	-0.343	50	10	BBGE	
CC(C)S(=O)(=O)Nc1cccc(B(O)O)c1	221571360	GLCNZUWNNOXVMZ-UHFFFAOYSA-N	243.093	-0.484	50	10	BBGE	
CC(C)N(CCO)C[C@@H]1CC[C@@H](C(=O)NN)O1	223119322	NPTOGILJRJFJFM-UWVGGRQHSA-N	245.323	-0.773	50	10	BBGE	
CC(=O)NC1CCN([C@@H](C)CC(=O)NN)CC1	228341098	SOGGVWVLYPNESL-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cccnc1-c1ccncc1	238629445	WYEWEAXXAHLWQD-UHFFFAOYSA-N	200.006	-0.177	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@@H](C)[C@H]1CO	299906960	GEYBRCBTQCXVQQ-OPRDCNLKSA-N	229.324	-0.296	50	10	BBGE	
CN(CCCO)CCCCCC(=O)NN	300781899	FZSHGGAQQBLGHZ-UHFFFAOYSA-N	217.313	-0.149	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O	300979767	UCEFAHCQZSGDSX-DKBIXQPYSA-N	225.292	-0.933	50	10	BBGE	
OC[C@@H]1CN(c2nnc(CCl)o2)C[C@H]1O	306320301	KCZZTOAVCARMHD-NTSWFWBYSA-N	233.655	-0.402	50	10	BBGE	
N[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@@H]1B(O)O	310239462	SMODZDWDAYGSIG-IVZWLZJFSA-N	238.096	-0.717	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C(N(C)C)[C@@H]2C1	384747488	MGOCTVYPRMMAGD-IWSPIJDZSA-N	226.324	-0.753	50	10	BBGE	
CN1CC2(CCN(CCCC(=O)NN)C2)C1	398662650	DZLZHCVJNLBBGM-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](CN(C)C)C1	405123378	JTKOXKYTUGHUES-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
CSCCC(=O)N1CC[C@H](B(O)O)C1	585075655	TZCQJBJXBFGFMK-ZETCQYMHSA-N	217.099	-0.185	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@]1(C)CCOC1	687519577	MVGLOJUAZNGGHZ-GXSJLCMTSA-N	245.323	-0.650	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@]12COC[C@@H]1C2	689285488	GUAMNVVIQBZOKR-HOSYDEDBSA-N	241.335	-0.031	50	10	BBGE	
COC(=O)C(=O)N1CCC(O)(C#N)CC1	692161610	WREIGGQBFARWPA-UHFFFAOYSA-N	212.205	-0.964	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2CC1(CO)C2	695047235	CZNLTPWJFBCLIH-YZRBJQDESA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](CN(C)CC(=O)NN)[C@@H]1C	701354855	OLYWJKRQEAZSOL-UTINFBMNSA-N	229.324	-0.032	50	10	BBGE	
C[C@H]1CCCC[C@@H]1S(=O)(=O)NCB(O)O	701951116	PQQGYVQIPUNVNI-YUMQZZPRSA-N	235.114	-0.504	50	10	BBGE	
OC[C@@H]1CN(CCOCCCl)C[C@@H]1CO	705322664	JXASGYSCQKBSAX-AOOOYVTPSA-N	237.727	-0.226	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@H]21	706938014	LLWLDXVQZBWTTL-XHNCKOQMSA-N	213.281	-0.524	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(n2ccnc2)C1	707388527	KZPXPTAJBMGKHN-SNVBAGLBSA-N	237.307	-0.102	50	10	BBGE	
C[C@@H]1CN(C)CCN([C@H](C)[C@@H](C)C(=O)NN)C1	707566445	DXQQFGSLBHLDQZ-GMTAPVOTSA-N	242.367	-0.116	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)C(O)[C@H](C)C1	710858633	YEWWCCCLJOGLAM-HTQZYQBOSA-N	243.307	-0.898	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@H]2[C@H](C1)C2(F)F	715416209	NUEBTSYRGFGXPN-LYFYHCNISA-N	235.234	-0.812	50	10	BBGE	
C[C@@](N)(B(O)O)c1cnn(C2CCC2)c1	725630918	DXSSNXQMRRXQJM-VIFPVBQESA-N	209.058	-0.206	50	10	BBGE	
C[C@@H]1COCC[C@H]1C(=O)NNC(=O)CN(C)C	769925117	DLRXVSXCXLQTCZ-RKDXNWHRSA-N	243.307	-0.632	50	10	BBGE	
COc1nccnc1C=NNC(=O)CN(C)C	793004287	JKPVWSIZCBWKRR-UHFFFAOYSA-N	237.263	-0.503	50	10	BBGE	
CC(C)[C@@H](O)C(=O)NNC(=O)[C@H]1CCCO1	817215733	PDHRYEZWODDRPP-HTQZYQBOSA-N	230.264	-0.670	50	10	BBGE	
COC[C@](C)(O)CCNS(=O)(=O)CCl	849395294	BDSPFSUZPSTADO-SSDOTTSWSA-N	245.728	-0.110	50	10	BBGE	
CN(C)CC(=O)NN=C1CN2CCC[C@H]1C2	863088985	GAVCMIJTTSKGDH-VIFPVBQESA-N	224.308	-0.254	50	10	BBGE	
O=C1CC[C@@H](C(=O)NN=Cc2ccc(O)cn2)N1	863147628	KLXJYFHCOUQTPM-VIFPVBQESA-N	248.242	-0.484	50	10	BBGE	
C#CC[C@H](COC)NCc1ccccc1B(O)O	863892504	ZALAWKUMGDACNC-GFCCVEGCSA-N	247.103	-0.506	50	10	BBGE	
CCc1nc(C#N)cc(N2CC[C@@H](B(O)O)C2)n1	864236978	FHBLEWUINBVIGO-MRVPVSSYSA-N	246.079	-0.036	50	10	BBGE	
CN(NC(=O)C1CN([C@@H]2CCOC2)C1)C1CC1	898012354	UIYUSPLSNPVYDF-LLVKDONJSA-N	239.319	-0.168	50	10	BBGE	
CCNC(=O)N(C)NC(=O)c1ccnnc1	1337470934	DBSXVCRLCYOJPA-UHFFFAOYSA-N	223.236	-0.217	50	10	BBGE	
CC[C@@H](C)NC(=O)NNC(=O)c1cn(C)nn1	1350357170	APGXZZRFKPTTCV-ZCFIWIBFSA-N	240.267	-0.442	50	10	BBGE	
CCN1C[C@H](C(=O)NNc2ccncn2)CC1=O	1556681812	YQPFTNWEZFEDCG-MRVPVSSYSA-N	249.274	-0.212	50	10	BBGE	
COC(=O)C[C@@H](N)C(=O)NCCCl	1865964041	JNYMLTHNGNXYEZ-RXMQYKEDSA-N	208.645	-0.768	50	10	BBGE	
CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NN	1880029517	CMVLUEDNOLUUJJ-SSDOTTSWSA-N	247.295	-0.358	50	10	BBGE	
NCC(=O)NC1CC(Br)C1	1880045637	KRXSKHSWIKQKTG-UHFFFAOYSA-N	207.071	-0.013	50	10	BBGE	
NCCN(CCN)C[C@H]1C[C@@H]1Br	1881363395	VMWSSFYOZBDSRB-SFYZADRCSA-N	236.157	-0.011	50	10	BBGE	
CNC(=O)CN(C)C(=O)[C@H]1C[C@@H]1Br	1883532978	MVXPVNGLKAUBJL-WDSKDSINSA-N	249.108	-0.026	50	10	BBGE	
C[C@@]1(C(F)F)C[C@@H]1C(=O)NNCCO	1884872136	UEKYHVYBXSTSFO-SVGQVSJJSA-N	208.208	-0.109	50	10	BBGE	
COC[C@@H](O[C@@H]1CC1(F)F)C(=O)NN	1885984248	OSIDXNLJUKDWMI-RFZPGFLSSA-N	210.180	-0.585	50	10	BBGE	
O=C(CCCl)N1C[C@@H]2[C@H](C1)CS2(=O)=O	1887049998	MRQGDGRGQHXLOJ-RNFRBKRXSA-N	237.708	-0.129	50	10	BBGE	
CN(C)C(=O)[C@@H]1COCCN1C(=O)F	1887185648	BCFPPBQKMXSCLI-LURJTMIESA-N	204.201	-0.135	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2cnsn2)C1	1891490081	AGINFEZOGHROPR-LURJTMIESA-N	213.071	-0.413	50	10	BBGE	
O=S(=O)(NC[C@@H]1C[C@@H]1Cl)[C@H]1CCNC1	1893118551	ITPINUJRTQBCNS-FXQIFTODSA-N	238.740	-0.105	50	10	BBGE	
C[C@@](N)(CO)CNC(=O)/C=C/C(=O)Cl	1893510338	WUNJYWVKJCKMBT-SGJFDWMWSA-N	220.656	-0.866	50	10	BBGE	
NCc1c[nH][nH]c1=NC(=O)[C@H]1C[C@H]1Cl	1893660859	DOTHQTPCKKPQOY-NTSWFWBYSA-N	214.656	-0.144	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCCCS1(=O)=O	1893840617	HMLKXPMJTIGKSP-ZETCQYMHSA-N	235.309	-0.820	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)COC[C@H]1C	1893864191	MORBTTSCFLHHRL-NKWVEPMBSA-N	215.253	-0.998	50	10	BBGE	
CN(CCCO)CCC[C@H]1C[C@@H]1C(=O)NN	1900526054	ICPVEPYQDFBTQB-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
Cc1nc(CN2CC[C@](C)(B(O)O)C2)no1	1902517413	INQOEXXIZQACRA-VIFPVBQESA-N	225.057	-0.183	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1C[C@H]2[C@@H](C1)C2(F)F	1903038696	UTMCPKJAVUGZPI-STNDOWJSSA-N	233.218	-0.616	50	10	BBGE	
Cc1cc(N2CCO[C@@H]3C[C@@H]32)ncc1B(O)O	1907079529	HYKUGFJGSSOSAA-VHSXEESVSA-N	234.064	-0.953	50	10	BBGE	
COC[C@@H]1CC[C@H](CN(C)C(=O)C(=O)NN)C1	1908389801	AXLULLBBUWSXQJ-DTWKUNHWSA-N	243.307	-0.503	50	10	BBGE	
C[C@H]1C(NC(=O)c2ccccc2B(O)O)[C@@H]1C	1910488794	GLMCIMWTJVQAFB-HTQZYQBOSA-N	233.076	-0.249	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cccc[n+]1[O-]	1923789545	OPPSRUIRTNGLEK-UHFFFAOYSA-N	249.148	-0.357	50	10	BBGE	
C[C@@H]1COC[C@@H]1OC[C@@H]1C[C@@H]1C(=O)NN	1927917066	IEWHFPQDWDXCLJ-XGEHTFHBSA-N	214.265	-0.336	50	10	BBGE	
CN1C[C@H](NC(=O)c2cnn[nH]2)[C@H](Cl)C1	1928753417	PXCADSCIWJXMDV-VDTYLAMSSA-N	229.671	-0.544	50	10	BBGE	
O=C1CN(CCc2ccon2)CC(=O)O1	1928852918	VCNGPOGWQXXPSV-UHFFFAOYSA-N	210.189	-0.398	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@@H]1CCS1(=O)=O	1930851861	CHULTPZFTKEMDB-WDSKDSINSA-N	225.697	-0.083	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]2CO)CC1	1931265528	RBGNATNHUBWEQG-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@@H](C)Cl	1932514342	XOMDHEQTKMMHQO-RFZPGFLSSA-N	228.701	-0.593	50	10	BBGE	
CN(C)NC(=O)COCC1CCNCC1	1932644184	XPJCAYUEXJODCS-UHFFFAOYSA-N	215.297	-0.405	50	10	BBGE	
CN1CC[C@@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1936087931	IGKHFMLRKFMSGB-IVZWLZJFSA-N	226.324	-0.752	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H]2C(CO)[C@H]2C1	1937460685	JNZGCHGWNCDCFX-JBDRJPRFSA-N	227.308	-0.829	50	10	BBGE	
C[C@@H]1N(CCOCC(=O)NN)C(=O)CC1(C)C	1942887758	VSMKSMLJHDHIQL-QMMMGPOBSA-N	243.307	-0.360	50	10	BBGE	
COCC1(Cn2ccc(B(O)O)n2)CCCC1	1945425343	OTONHYDPDHLZLE-UHFFFAOYSA-N	238.096	-0.230	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)Cc1cnnn1C	1950438548	HOCGVKJSVPBFGK-MRVPVSSYSA-N	240.311	-0.595	50	10	BBGE	
CSSCCNC(=O)[C@H](N)[C@@H](C)O	1954257140	IOZGQELRGDEAPM-PHDIDXHHSA-N	224.351	-0.178	50	10	BBGE	
NC(=O)C1CN(CCOCCCl)C1	1954821633	BLYXZTVGOCLASI-UHFFFAOYSA-N	206.673	-0.341	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NNC(N)=O)O1	1955612459	AQBWOUDDZVQUET-NTSWFWBYSA-N	201.226	-0.357	50	10	BBGE	
CN(CCCF)c1nc(B(O)O)cs1	1956966329	TWVYXBRFWIVHDU-UHFFFAOYSA-N	218.062	-0.381	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)Cc1ncon1	1958698870	DCGATQXLRPDJCH-ZCFIWIBFSA-N	213.241	-0.730	50	10	BBGE	
OB(O)c1ccn([C@H]2CCC(F)(F)C2)n1	1959862576	UXFAVPFMJUMHIY-LURJTMIESA-N	215.996	-0.077	50	10	BBGE	
Cc1ccnc(O[C@@H]2C[C@H]2C)c1B(O)O	1961688526	VIQLQUYVNYKKEO-HTQZYQBOSA-N	207.038	-0.143	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1[C@H]2CC[C@H]21	1976587288	YFAJQZCLZXAKQH-MYJAWHEDSA-N	227.308	-0.419	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCCC[C@@H](O)C1	1980522262	YAPHWZALGIRXLA-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
NNC(=O)C(=O)N1CCCO[C@@H]2CCC[C@@H]21	1980773297	UXLISRREGXSPJE-JGVFFNPUSA-N	227.264	-0.854	50	10	BBGE	
Cc1ccc(=O)n(CCOCC(=O)NN)c1	1981073156	SNPZJEQGOFQLHP-UHFFFAOYSA-N	225.248	-0.837	50	10	BBGE	
C[C@]12C[C@@H]1CN(c1ncc(B(O)O)cn1)C2	1981412649	XCIRDVUQHNPCTL-GMSGAONNSA-N	219.053	-0.997	50	10	BBGE	
Cn1cnnc1Sc1ccc(B(O)O)cn1	1981454429	JMXCDVSWZONFFS-UHFFFAOYSA-N	236.065	-0.959	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)c1nc(B(O)O)cs1	1981468860	JEWNBVHBOLYJCS-BQBZGAKWSA-N	242.109	-0.706	50	10	BBGE	
Cc1nc(N2CC[C@@H](C)C2)ccc1B(O)O	1981469827	YXTWZRPOLSZDRO-MRVPVSSYSA-N	220.081	-0.084	50	10	BBGE	
CN(C[C@H]1CCCO1)c1nc(B(O)O)cs1	1981472052	NCTCDDKCRLEEIC-SSDOTTSWSA-N	242.109	-0.562	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CCO[C@H]2C1	1986660558	NWSSQOCDDZBVCX-UTLUCORTSA-N	227.308	-0.134	50	10	BBGE	
C[C@H]1C[C@@H](N(C)CCOCC(=O)NN)CS1	1988352185	UPJLWCSQWROFEM-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CO[C@@H]1C[C@@H](CF)N([C@H](C)CC(=O)NN)C1	1988727970	XLTRESPGMRFNFG-HRDYMLBCSA-N	233.287	-0.186	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@H]1C[C@@H]1CF	1989259839	FQSSYHAANBJBCU-RKDXNWHRSA-N	233.287	-0.470	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@H](CSCC(N)=O)O1	1990165388	XYKNGZGPBDWTFO-RNFRBKRXSA-N	247.320	-0.868	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)c1cnsn1	1991333269	SXOQGXNWPKSUEG-ZCFIWIBFSA-N	239.065	-0.631	50	10	BBGE	
CO[C@H]1CN(C)C[C@H]1NC(=O)/C=C/C(=O)Cl	1991712140	CVFMGLZGBOBSEA-ZGNIKFQOSA-N	246.694	-0.247	50	10	BBGE	
CN(CCF)C[C@]12C[C@](C(=O)NN)(CO1)C2	1993890152	DHOCOKLTEAOWDY-MGCOHNPYSA-N	231.271	-0.573	50	10	BBGE	
N#CC1=CCN(C(=O)C[C@]2(O)CCNC2)CC1	1998011618	NURMMKPQFDUGLC-GFCCVEGCSA-N	235.287	-0.217	50	10	BBGE	
CC(C)C[C@@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1998133360	PWNKLGMGKFMADA-SFYZADRCSA-N	245.084	-0.289	50	10	BBGE	
CCC1(CC)CN(c2ncc(B(O)O)cn2)C1	2004911907	MLBYOGMZSXYRCP-UHFFFAOYSA-N	235.096	-0.217	50	10	BBGE	
CO[C@H](C)CN(C)c1nccc(C)c1B(O)O	2004918171	IHOPYQVNXJSGOE-SECBINFHSA-N	238.096	-0.459	50	10	BBGE	
Cc1ccnc(N(C)[C@H]2CCOC2)c1B(O)O	2004918258	JKTAORQBRGVZFZ-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
NNC(=O)c1ccoc1CN1CC=C[C@H]1CO	2007496407	SYJMDYWXPCZUTD-QMMMGPOBSA-N	237.259	-0.384	50	10	BBGE	
N#CC1=CCN(C(=O)[C@H]2C[C@@H](O)CCN2)CC1	2008259092	DMDCAAUVBBKBPO-WDEREUQCSA-N	235.287	-0.218	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](Cn2ccncc2=O)C1	2010832907	MKCOOEHTDUKDSH-BDAKNGLRSA-N	236.275	-0.351	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1COC2CC1C2	2011812387	HLVYEGQWXZGBCR-YDYPAMBWSA-N	243.307	-0.900	50	10	BBGE	
CC(C)(CN1CC[C@H](O)[C@@H]1C1CC1)C(=O)NN	2014003544	ZVSKNQPPNBTDFU-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC[C@](C)(CCO)C1	2014778364	CMSNCJHDBYXAGH-GXSJLCMTSA-N	245.323	-0.914	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21	2020058516	ZGMXLHFFTPUSAO-XLPZGREQSA-N	245.034	-0.038	50	10	BBGE	
Cc1ncc(OCc2ccn(C)n2)cc1B(O)O	2031603649	FVUWXISKMCLOSJ-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1ccc2nncn2c1	2041809616	GSWJMDQFRONIJV-QMMMGPOBSA-N	248.290	-0.461	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2C[C@H]3CC[C@H]2O3)c1	2049088576	ISNGCMAPRLEIFL-HLUHBDAQSA-N	249.075	-0.292	50	10	BBGE	
CN(c1ncncc1B(O)O)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	2052468434	CRFINUAOJYJXPN-FNCVBFRFSA-N	245.091	-0.753	50	10	BBGE	
CC(C)(C)c1cn(-c2ncc(B(O)O)cn2)cn1	2052603173	OWMUZDOBKDBGPN-UHFFFAOYSA-N	246.079	-0.360	50	10	BBGE	
CCOc1cc(B(O)O)cc([N+](=O)[O-])c1OC	2060015452	BBRSGQDTGVCDLL-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(Cl)c1B(O)O	2060017884	HCBLBXHJNFGHCD-UHFFFAOYSA-N	231.400	-0.063	50	10	BBGE	
O=Cc1cc(F)c(OC(F)F)cc1B(O)O	2060263683	UGZLUPXSFCYGKU-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@]12CCOC2	2077648052	MCAXKQHIGCYDEJ-CABZTGNLSA-N	249.075	-0.433	50	10	BBGE	
CCN(CCOC)Cc1nscc1B(O)O	2211138324	STLHUKSEGIFXRU-UHFFFAOYSA-N	244.125	-0.709	50	10	BBGE	
O=C(CCl)N1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@@H]3O)[C@@H]2C1	2211720256	BGXYEZYCRFBPPT-YSEGSDFXSA-N	245.706	-0.329	50	10	BBGE	
CC[C@H](CNC)Oc1ncccc1B(O)O	2212603043	BTNVXOAMSOMWQG-MRVPVSSYSA-N	224.069	-0.862	50	10	BBGE	
CC1=CCN(c2cc(B(O)O)c(C)cn2)C1	2212605128	YILMMIYRFMYWNF-UHFFFAOYSA-N	218.065	-0.164	50	10	BBGE	
CCN(CC1CC1)c1cc(B(O)O)ccn1	2212609990	AMWSSOXTULGRLL-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
OC[C@@H]1CCCN1Cc1cccc(B(O)O)c1	2214598415	HBAAANDURZFDSW-LBPRGKRZSA-N	235.092	-0.677	50	10	BBGE	
O=c1ccc(B(O)O)cn1CCC1CC(F)C1	2215029673	FABYYKLNEMNBSD-UHFFFAOYSA-N	239.055	-0.334	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1CC[C@H]2COC[C@@H]21	2215771174	GOUHGHLXLDXZFL-YTWAJWBKSA-N	239.319	-0.277	50	10	BBGE	
CNC1(CCOc2ncccc2B(O)O)CC1	2217182392	ACVPZZNERORZLP-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
OCC1CC(Nc2nccc(B(O)O)c2F)C1	2217183155	GKMPWMLSGRMLHY-UHFFFAOYSA-N	240.043	-0.917	50	10	BBGE	
C[C@H](Oc1ncccc1B(O)O)[C@H]1CCCN1	2217184503	PHHGFGAAVZKKRJ-WCBMZHEXSA-N	236.080	-0.719	50	10	BBGE	
CNC(C)(C)CCOc1ccc(B(O)O)cn1	2217190899	ATGDFFVDFKXYDV-UHFFFAOYSA-N	238.096	-0.472	50	10	BBGE	
O=c1ncc(B(O)O)cn1CC1CC2(CC2)C1	2217408158	BTTYBHVEJUTEBV-UHFFFAOYSA-N	234.064	-0.887	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1CC=CCC1	2220146645	MCKZPRZKGANTEB-MRVPVSSYSA-N	247.063	-0.549	50	10	BBGE	
OB(O)c1cncc(OC[C@]23COC[C@H](C2)C3)c1	2220775112	NZUACBLBOMNNDO-OTCDBFHCSA-N	249.075	-0.433	50	10	BBGE	
CN1CC[C@H](Nc2ccc(B(O)O)cn2)C1(C)C	2223671863	QRGXGPGQAVJABR-JTQLQIEISA-N	249.123	-0.344	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1Nc1ncccc1B(O)O	2223675290	VBJBICHLYBQJPG-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
CSCCNC(=O)C1(B(O)O)CCC1	2241470681	BJJXCGQXGOCIQQ-UHFFFAOYSA-N	217.099	-0.137	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)C#CB(O)O	2243356039	AKWORDVQEQWFIC-SNVBAGLBSA-N	225.053	-0.971	50	10	BBGE	
CC[C@@H](C)[C@@H](CO)NC(=O)C1(B(O)O)CC1	2243363168	BWDPSULGLUEHRV-HTQZYQBOSA-N	229.085	-0.483	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCO[C@H]21)C1(B(O)O)CCC1	2243365472	NBTRDKAHZSMLPA-BWZBUEFSSA-N	225.053	-0.713	50	10	BBGE	
O=C(NC[C@@H]1CC[C@@H]1O)C1(B(O)O)CCC1	2243397775	IWSJKRPOJVLSFN-YUMQZZPRSA-N	227.069	-0.729	50	10	BBGE	
C[C@H]1C[C@@H]1CNC(=O)c1sncc1B(O)O	2243397970	LZVDTBCZZOCTND-NTSWFWBYSA-N	240.093	-0.791	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2243407590	VROCCUDUVGPTRD-SSDOTTSWSA-N	220.037	-0.934	50	10	BBGE	
CN(CC(C)(C)O)C(=O)C1(B(O)O)CCC1	2243410778	HOZSGCJAOQDTNN-UHFFFAOYSA-N	229.085	-0.387	50	10	BBGE	
CC(C)[C@H](N)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2243414639	FOECIIJRYYEMOP-IWSPIJDZSA-N	228.101	-0.661	50	10	BBGE	
O=C(NC1C2(CC2)C12CC2)[C@@H]1C[C@@H]1B(O)O	2243415508	WOVPBZGYSNDNKS-RQJHMYQMSA-N	221.065	-0.092	50	10	BBGE	
O=C(NCC[C@H](O)C1CC1)[C@H]1C[C@@H]1B(O)O	2243426977	OJAJUINFBFTTAK-CIUDSAMLSA-N	227.069	-0.874	50	10	BBGE	
C=CCC(=O)N(C)Cc1cc(B(O)O)cs1	2243685358	SESRAIPFBZQVSF-UHFFFAOYSA-N	239.105	-0.038	50	10	BBGE	
C=CCN(OC)C(=O)c1ccoc1B(O)O	2244272155	NASVHQHLXDFFBQ-UHFFFAOYSA-N	225.009	-0.851	50	10	BBGE	
C=C(Cn1ncc(CCC)cc1=O)B(O)O	2245024814	YAXQDOMWBRLLLF-UHFFFAOYSA-N	222.053	-0.236	50	10	BBGE	
N#CCCCCNC(=O)c1coc(B(O)O)c1	2247733478	NOYUHSXACZHXIV-UHFFFAOYSA-N	236.036	-0.617	50	10	BBGE	
COC1CC(CN(C)C(=O)C2(B(O)O)CC2)C1	2247754557	MXPICLCGOAHVKF-UHFFFAOYSA-N	241.096	-0.123	50	10	BBGE	
CCN(CC)C[C@@H](C)NC(=O)C1(B(O)O)CC1	2247758122	SYVXTHVABDSCQO-SECBINFHSA-N	242.128	-0.160	50	10	BBGE	
CN1CCC[C@H](NC(=O)C2(B(O)O)CCC2)C1	2247758958	XUIDLHDPIGRCLU-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
C=CCCCCNC(=O)c1cc(B(O)O)n[nH]1	2247783715	JWRUCUQAXUQYHL-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
COC[C@@H]1C[C@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247790533	HWWLZXFGBAYKTM-AATLWQCWSA-N	241.096	-0.362	50	10	BBGE	
CN(C)C1CC(NC(=O)C2CC(B(O)O)C2)C1	2247798931	YLAAZPCYQXCTNJ-UHFFFAOYSA-N	240.112	-0.552	50	10	BBGE	
O=C(NC[C@]12C[C@H](CCO1)C2)[C@@H]1C[C@@H]1B(O)O	2247806416	MYYMQQSBRWKVFV-REIXXSIJSA-N	239.080	-0.465	50	10	BBGE	
N[C@@]12CC[C@@H](CN(C(=O)[C@H]3C[C@@H]3B(O)O)C1)C2	2247807639	IQMNFTPDXDHUGX-UYAYMFIHSA-N	238.096	-0.811	50	10	BBGE	
C[C@H](CNC(=O)[C@H]1C[C@H](B(O)O)C1)CN(C)C	2247809704	QOQKCPVOCBDJKG-OPRDCNLKSA-N	242.128	-0.447	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccc(B(O)O)cn1	2247851727	JCZQDLSTWICENF-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
C[C@@H](O)C(C)(C)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247852160	PMPOAFAMHRINAE-IWSPIJDZSA-N	243.112	-0.237	50	10	BBGE	
CN(CC(C)(C)C)C(=O)c1c[nH]nc1B(O)O	2247854546	FAGPQMMHFNAPPU-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
Cc1cc(C(=O)NC[C@@H]2C[C@@H]2F)oc1B(O)O	2247876973	ZZGFUSLCCQUYGM-BQBZGAKWSA-N	241.027	-0.644	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1C(=O)C1(B(O)O)CCC1	2247877306	FZWQSNOQRFVXII-IUCAKERBSA-N	241.096	-0.245	50	10	BBGE	
COc1n[nH]c(NC(=O)C2(B(O)O)CCC2)n1	2247878262	ISOUTAZKTPBSEI-UHFFFAOYSA-N	240.028	-0.851	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247888083	VTGCLVIKWJSRSM-SQQIUAQRSA-N	238.096	-0.955	50	10	BBGE	
NC[C@H]1CC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247905589	USYKEVMFDBMHMX-NFTFJBJSSA-N	240.112	-0.517	50	10	BBGE	
C[C@@H](CO)C(=O)Nc1cccc(B(O)O)c1F	2248440592	ILUSUYLJELWNSE-LURJTMIESA-N	241.027	-0.928	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C(C)(C)C(=O)O	2248576480	GNIHXUPABHWQRC-LJGSYFOKSA-N	243.068	-0.439	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)C(C)(C)C(=O)O	2248585108	GNIHXUPABHWQRC-KNVOCYPGSA-N	243.068	-0.439	50	10	BBGE	
CCONC(=O)c1cc(B(O)O)c(F)cc1C	2249381022	BEQMYGYYPDLPHJ-UHFFFAOYSA-N	241.027	-0.505	50	10	BBGE	
C[C@H]1C(CCN=c2ccc(B(O)O)c[nH]2)[C@@H]1C	2251077812	KCBSIOGEPLVZDJ-RKDXNWHRSA-N	234.108	-0.113	50	10	BBGE	
CN(CC[C@@H]1CCO1)c1ccc(B(O)O)cn1	2253128530	CLWJZEQVHRVRPB-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccncc1B(O)O	2255449697	PHGPSOIQTXXANA-HTQZYQBOSA-N	246.075	-0.853	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1CNC(=O)c1ncccc1B(O)O	2255516677	OSALDIYVJCMSKY-BRPSZJMVSA-N	248.091	-0.607	50	10	BBGE	
C[C@H]1CCC=C[C@@H]1NC(=O)c1n[nH]cc1B(O)O	2255554968	URIJUKOUUIVKDN-CBAPKCEASA-N	249.079	-0.826	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255674969	SMGNGHLCUREWND-RKDXNWHRSA-N	248.091	-0.368	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1cc(B(O)O)cn1C1CC1	2255691391	NDFIIWJYNDKFHJ-MRVPVSSYSA-N	248.091	-0.193	50	10	BBGE	
CC[C@@H]1CC[C@H]1NC(=O)c1ncccc1B(O)O	2255722896	VJRXGQJWLQKCAH-PSASIEDQSA-N	248.091	-0.320	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@@H]21)c1cc(B(O)O)co1	2258130609	JKUDCFLGRYZNLP-UJNFCWOMSA-N	249.075	-0.122	50	10	BBGE	
Cc1ccncc1NC(=O)c1cocc1B(O)O	2258131053	PLSCMGXFRPTGPR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1cocc1B(O)O	2258944264	QCSIXUWUEBPAEA-SECBINFHSA-N	247.059	-0.413	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2298368752	VTGCLVIKWJSRSM-KGDYZURWSA-N	238.096	-0.955	50	10	BBGE	
C=C(CN1CCC2(CCN(C)C2)CC1)B(O)O	2299207785	ABFWWNMTRKJAJJ-UHFFFAOYSA-N	238.140	-0.028	50	10	BBGE	
C[C@H](O)C1CN(CCC[C@@H]2C[C@H]2C(=O)NN)C1	2300365941	CPUCZMOBXPETOD-IQJOONFLSA-N	241.335	-0.295	50	10	BBGE	
CO[C@@H]1C[C@H]1Nc1ccc(B(O)O)cc1C#N	2301346182	OBAFFSARSGGBDJ-GHMZBOCLSA-N	232.048	-0.563	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1CCO[C@H](C#N)C1	2302025145	YJNDMQAPNJZRPE-NXEZZACHSA-N	240.307	-0.241	50	10	BBGE	
C[C@@H](C#N)CN(C)c1cc(B(O)O)c(F)cn1	2303835235	SRWXYLCIXHPGJI-ZETCQYMHSA-N	237.043	-0.504	50	10	BBGE	
C=CC[C@H](CO)Nc1cc(B(O)O)c(F)cn1	2303850509	SUUILAIJYOMVSS-SSDOTTSWSA-N	240.043	-0.751	50	10	BBGE	
CC(C)[C@@H]1C[C@H](O)CN1C(=O)C1(B(O)O)CC1	2304251819	KFZUIXWMXZNRMV-IUCAKERBSA-N	241.096	-0.389	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1coc(B(O)O)c1	2312848868	VWLNBAFOFIJXQE-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
C#CCCCOC(=O)Nc1ccc(B(O)O)cn1	2316375319	GRLFQGTWNCJKIF-UHFFFAOYSA-N	248.047	-0.277	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)ncc1F	2320795895	AWQPRALSZATCHI-PJFCORBGSA-N	248.066	-0.255	50	10	BBGE	
CC(C)(C)NC(=O)C(C#N)=CNCCO	2324756980	HEFYJWVCZPKLIQ-UHFFFAOYSA-N	211.265	-0.110	50	10	BBGE	
NNC(=O)C(=O)NCc1ccccc1F	36948232	OIWUHMZRUZTRKC-UHFFFAOYSA-N	211.196	-0.568	50	10	BBGE	
CN(C(=O)C(=O)NN)c1ccc(F)cc1	49966773	BZSZVLGKCHORSS-UHFFFAOYSA-N	211.196	-0.222	50	10	BBGE	
COC[C@H](O)CN(C)CCCCCC(=O)NN	71292087	FVZYSTOUNOSHEK-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
CC(C)N1CCN([C@H](C)C(=O)NN)CC1	82467853	ISJTYUJQPAZADD-SECBINFHSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](CC(=O)NN)Sc1nnc(N)n1C	82473351	QBAWOAOGQAFKDF-SCSAIBSYSA-N	230.297	-0.742	50	10	BBGE	
CCN(CC(=O)N(C)C)S(=O)(=O)CCl	82511907	IASOEMGVQZRXDW-UHFFFAOYSA-N	242.728	-0.077	50	10	BBGE	
CN(C)C[C@H]1C[C@@H](O)CN1C(=O)CCl	85082803	VTOATKFKMDXMPG-HTQZYQBOSA-N	220.700	-0.251	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)NC[C@H](O)CO	86551000	WRFDZQIJHXJUJT-RQJHMYQMSA-N	245.728	-0.866	50	10	BBGE	
CC(C)(CN1CCO[C@@H](C#N)C1)C(=O)NN	86656760	PROATXUGVZALJJ-QMMMGPOBSA-N	226.280	-0.773	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCNCC2)o1	110594517	WLCYLJNWHMAJPV-UHFFFAOYSA-N	238.291	-0.322	50	10	BBGE	
CN(CCCCC(=O)NN)[C@@H]1CCOC1	134791362	AMGKTBYFINWKSN-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CN(C)NC(=O)c1ccc(C(N)=S)cn1	147800254	KNVYYXZDVNRWRY-UHFFFAOYSA-N	224.289	-0.078	50	10	BBGE	
NNC(=O)c1ccc(CN2CC[C@@H](N)C2)s1	203225832	NSUSQLXHMFTPFZ-SSDOTTSWSA-N	240.332	-0.115	50	10	BBGE	
CN(C=O)CCc1cc(B(O)O)ccc1F	208608680	SBDZGHKAPXSHSD-UHFFFAOYSA-N	225.028	-0.864	50	10	BBGE	
C[C@@H](CN1CCOC[C@@H]1C)C(=O)NN	216472085	LDLDSGOGVYXTCG-YUMQZZPRSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H]1CCN([C@@H](C)[C@@H](C)C(=O)NN)C1	234839476	QPGCKFGVXISTGP-HRDYMLBCSA-N	215.297	-0.278	50	10	BBGE	
CN(C)CC(=O)c1ccc(B(O)O)s1	238290474	SRABYOUNTSQWNM-UHFFFAOYSA-N	213.067	-0.828	50	10	BBGE	
CN1C(=O)NC[C@@H](Br)[C@@H]1N	238330219	JASMPBIMWOUCCK-QWWZWVQMSA-N	208.059	-0.310	50	10	BBGE	
NC(=O)N/N=C1/CCSC(=S)N1	238568097	MVPQLYIEFCTUKA-UHFFFAOYSA-N	204.280	-0.020	50	10	BBGE	
O=Cc1nccc(C(F)(F)F)c1B(O)O	238612393	BTUXWWAOSNRXAP-UHFFFAOYSA-N	218.927	-0.407	50	10	BBGE	
NNC(=O)C[C@@H]1NC(=O)c2ccccc21	238658926	BQLYOVNSDBXVTA-QMMMGPOBSA-N	205.217	-0.149	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@H](C)[C@H](C)C(=O)NN	300247654	ZGIRXIMJASOQSY-HRDYMLBCSA-N	244.339	-0.685	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H]1CCC[C@@H]1C	309113044	KIABTWMHLQVODJ-CBAPKCEASA-N	213.281	-0.068	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C(F)F)C1CC1	309644732	VROIIUOHXCZZRU-QMMMGPOBSA-N	235.234	-0.213	50	10	BBGE	
Cn1cc(-c2ccc(B(O)O)cc2)ccc1=O	310210401	KEVXGXAYGSIDPN-UHFFFAOYSA-N	229.044	-0.268	50	10	BBGE	
O=c1cnccn1Cc1ccc(B(O)O)cc1F	310922606	KASZXROSBXXIFJ-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
CCn1ccc(=O)n(C[C@H](O)CCl)c1=O	379895969	BXENDHPWTAINDG-SSDOTTSWSA-N	232.667	-0.370	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@](C)(CO)C1	381372661	MZUJTRQZIZQRQB-WCBMZHEXSA-N	215.297	-0.541	50	10	BBGE	
Cn1ncnc1CNS(=O)(=O)CCCl	389382606	MBHMECWTRHDHON-UHFFFAOYSA-N	238.700	-0.527	50	10	BBGE	
O=C(CNC(=O)NC(=O)CCl)NCC1CC1	393052951	HKYLYUJSHSBUKV-UHFFFAOYSA-N	247.682	-0.423	50	10	BBGE	
CCN(CC)C1[C@H]2CN(CC(=O)NN)C[C@H]12	395258039	MYXRSOIYOIQLPC-IUCAKERBSA-N	226.324	-0.752	50	10	BBGE	
CCC1(O)CN([C@@H](C(=O)NN)C(C)(C)C)C1	395646892	ZYVMWOIMFZJOPX-QMMMGPOBSA-N	229.324	-0.152	50	10	BBGE	
COc1ccc(CCC(=O)O)c(B(O)O)c1	396027828	BZSFRXLJSAGWBL-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
Nc1ccc2sc(B(O)O)cc2c1C(=O)O	396245121	QIWSFOAJDPTVEN-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1csc2ccc(B(O)O)c(C=O)c12	396257568	PGJWKDADEWREFP-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
C[C@@H]1COCCN([C@H](C)CC(=O)NN)C1	399637218	FUCZSCQJFPYCCN-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CCCOC1	401635339	XVUSMLRDAJUWJG-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
CC[S@](=O)NCc1ccc(B(O)O)s1	404860751	VCCPVYXMPSZREU-AWEZNQCLSA-N	233.123	-0.799	50	10	BBGE	
CCOCC(=O)Nc1ccc(B(O)O)cc1C	404997362	IZDBOMOTCBJMRO-UHFFFAOYSA-N	237.064	-0.350	50	10	BBGE	
CC(C)N(C[C@@H](C)O)C[C@@H](C)C(=O)NN	692172598	HRFHSVYOELFXNR-RKDXNWHRSA-N	217.313	-0.296	50	10	BBGE	
C[C@H]1CC(F)(F)CCN1C(=O)C(=O)NN	697647566	KCHOSMVTSBDQLY-YFKPBYRVSA-N	221.207	-0.378	50	10	BBGE	
CC(=O)N1CCC[C@H](C(=O)NNC(N)=S)C1	700878518	FGYIRKQHMCNNTL-ZETCQYMHSA-N	244.320	-0.891	50	10	BBGE	
CC(C)(C)n1cc(Cn2ccc(B(O)O)n2)cn1	703648609	GHIPQOPIBAXRLY-UHFFFAOYSA-N	248.095	-0.437	50	10	BBGE	
CNNC(=O)c1cccc(S(C)(=O)=O)c1	704637955	IAXSZXNQROIHOP-UHFFFAOYSA-N	228.273	-0.046	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23C[C@H](N)C[C@H]2C3)CC1	713227325	YOLSFTCBQNIKSN-OPQQBVKSSA-N	249.314	-0.009	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1	718168444	WRZMBBHRUSNCCS-SAVGLBRCSA-N	239.319	-0.136	50	10	BBGE	
CO[C@H]1N=C([n+]2cc[nH]c2)C(CCl)=[S+]1	725577111	SYCKQQCHHNYXMD-MRVPVSSYSA-O	231.708	-0.014	50	10	BBGE	
CNNC(=O)C1=CCC(=[N+]([O-])O)S1	725598331	CREAMYDVVFDORF-UHFFFAOYSA-N	203.223	-0.444	50	10	BBGE	
CN(C)CC(=O)NN=C1CCC[S@@](=O)CC1	853302060	VZYAVUWIKCDIJB-MRXNPFEDSA-N	245.348	-0.047	50	10	BBGE	
CC(=O)NNC(=O)c1ccn2nccc2n1	1136045774	HITOPYPARJYRIF-UHFFFAOYSA-N	219.204	-0.490	50	10	BBGE	
CC(C)(C)OC(=O)NNC(=O)[C@@]1(O)CCOC1	1136055510	KOBUFMCAQOCOJK-SNVBAGLBSA-N	246.263	-0.306	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)c1cccc(F)n1	1168136026	RCPUCDNSYJJWSA-YFKPBYRVSA-N	227.195	-0.638	50	10	BBGE	
CNC(=O)NNC(=O)C[C@H]1CCOC[C@@H]1OC	1597341953	SDGXZIYBHWKXGA-SFYZADRCSA-N	245.279	-0.612	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@@H]1C[C@H]1Br	1877358246	RCRMZSJMQMORKP-KVQBGUIXSA-N	237.097	-0.794	50	10	BBGE	
O=C([C@H]1C[C@H]1Cl)N1C[C@H](O)C[C@@H](O)C1	1877520014	IWKOIEPXUCLWQH-OOJXKGFFSA-N	219.668	-0.432	50	10	BBGE	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NN)O1	1879957862	JIVUXORIKWWJRL-LURJTMIESA-N	231.252	-0.083	50	10	BBGE	
O=C1N[C@H]2CN(C(=O)CBr)C[C@@H]2O1	1881800134	FKWPDILXCYTEPL-WHFBIAKZSA-N	249.064	-0.300	50	10	BBGE	
C=C(Cl)COCCOCC(=O)NN	1882110480	KLZKEEMUJCOEHO-UHFFFAOYSA-N	208.645	-0.238	50	10	BBGE	
CN1CC(COCCCC(=O)NN)C1	1886369648	BBNUKOGNGWDLPU-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
COCCNCCNC(=O)[C@H]1C[C@H]1Cl	1893454499	XHRHJABOPHRTHO-JGVFFNPUSA-N	220.700	-0.034	50	10	BBGE	
C[C@H](O)[C@@H](O)CNC(=O)/C=C/C(=O)Cl	1893505579	XGBAAXVRIUWFIF-KXQHVCLCSA-N	221.640	-0.834	50	10	BBGE	
CN1CC(C)(C)[C@@H]1COC(F)(F)C(=O)NN	1899511955	ZIQSAJOCHVOHAN-LURJTMIESA-N	237.250	-0.074	50	10	BBGE	
CN(CCc1cccc(O)c1)CC(=O)NN	1901043996	MSJNOYGTPKLUPF-UHFFFAOYSA-N	223.276	-0.144	50	10	BBGE	
CC(C)[C@H]1C[C@@]1(N)C(=O)NN(C)S(C)(=O)=O	1901376810	GLINENSSIGNODC-APPZFPTMSA-N	249.336	-0.718	50	10	BBGE	
CCN1CCN(CC(B(O)O)=C(C)C)CC1	1901705484	VMZPQHDREAWNGN-UHFFFAOYSA-N	226.129	-0.028	50	10	BBGE	
COCCOC(=O)N1CC[C@](C)(B(O)O)C1	1902554319	UFXARASWKKMXQM-VIFPVBQESA-N	231.057	-0.292	50	10	BBGE	
COC[C@H](C)Nc1cc(B(O)O)c(F)cn1	1903005243	DXZATSAZCNWYEW-LURJTMIESA-N	228.032	-0.653	50	10	BBGE	
C[C@@H]1NC[C@]1(C(=O)O)N1CC=C(C#N)CC1	1903849975	FEBQJTCDDOZVLI-KWQFWETISA-N	221.260	-0.043	50	10	BBGE	
CC1(C)[C@H](N)CCN1C(=O)[C@@H]1C[C@@H]1B(O)O	1905014682	WGJNIFPSAYXNCK-GJMOJQLCSA-N	226.085	-0.813	50	10	BBGE	
CN(C[C@@H]1C[C@H]1C(=O)NN)C[C@]12C[C@H](CO1)C2	1909840948	SPHSLSIGISFEKH-UXCLJVHYSA-N	239.319	-0.277	50	10	BBGE	
C[C@@H](CN1CC(C)(C)OC1=O)C(=O)NN	1912262461	XPERPOUFPYGQJE-LURJTMIESA-N	215.253	-0.157	50	10	BBGE	
COC[C@H](OC1CC=CC1)C(=O)NN	1913343080	HISNXPFQFSMOJL-QMMMGPOBSA-N	200.238	-0.274	50	10	BBGE	
CC[C@@H]1CCOCCN1CC(=O)NN	1913640549	YGVQRHOTDHCWRM-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@@H](CO)C(C)(C)C1	1914011546	SSODWXUZCVUAGB-UWVGGRQHSA-N	243.351	-0.049	50	10	BBGE	
C[C@H]1[C@H](O)CCN1CCC(C)(C)C(=O)NN	1914255010	JHEXOMNDJJZCCN-DTWKUNHWSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)CC1(O)CCC1	1914571935	QAPYAAHNJIGUKV-VIFPVBQESA-N	229.324	-0.008	50	10	BBGE	
C[C@H](CCl)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1	1928376638	HWISEICOCBCDGZ-VGMNWLOBSA-N	234.727	-0.005	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1CC(F)(F)C(=O)NN	1935943765	GQJPBPDSBAEWFB-RNFRBKRXSA-N	237.250	-0.279	50	10	BBGE	
CCNC(=O)CN(CC)C[C@H]1C[C@@H]1C(=O)NN	1941084920	APLHEZCXOCXARI-BDAKNGLRSA-N	242.323	-0.930	50	10	BBGE	
CC[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)CCN1C	1941089598	WLGGSQHADJWPRC-HBNTYKKESA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]2COC[C@H]21	1941093035	NTISREZUAVWGJQ-LMLFDSFASA-N	239.319	-0.277	50	10	BBGE	
COCC1CCN(CCOCC(=O)NN)CC1	1941784910	WXHDYTOKGHXWOP-UHFFFAOYSA-N	245.323	-0.649	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(CC=CCO2)C1	1946041396	HKXMVNWWRKZWJS-VIFPVBQESA-N	241.291	-0.978	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2OCCO[C@@H]2C1	1946396425	IAAOJEFUHPBILS-KXUCPTDWSA-N	243.307	-0.755	50	10	BBGE	
CC1(CO)CN(Cc2cc(C(=O)NN)no2)C1	1951072148	FTEWRDFUYHVMBQ-UHFFFAOYSA-N	240.263	-0.908	50	10	BBGE	
CS(=O)(=O)c1cccc([C@@H](N)[C@H](O)C#N)c1	1952821247	NUGONFRNTDAUNX-NXEZZACHSA-N	240.284	-0.026	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O	1955550548	XCWDVOHOUIVHMQ-ZXVYDBTHSA-N	219.668	-0.434	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1958632556	CLJOGKBLEHUARQ-CIUDSAMLSA-N	215.297	-0.400	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC(C#N)C1	1960085549	RJIHVOBXAUXSOQ-VIFPVBQESA-N	210.281	-0.154	50	10	BBGE	
COC1(CN(C)[C@H](C)CC(=O)NN)CC1	1960729554	NRUVSRIYQUPLNY-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CN(CC(=O)NN)C[C@H]1C[C@]12CC2(F)F	1961596820	KVPBSDADCVOXPX-SVRRBLITSA-N	219.235	-0.047	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@@H](F)C1	1961687562	MWVMMWAYESREEJ-SSDOTTSWSA-N	210.017	-0.690	50	10	BBGE	
CC(C)CCC(=O)N[C@@H](CB(O)O)C(=O)O	1976996523	ZPMDMCLJBWFAGE-ZETCQYMHSA-N	231.057	-0.535	50	10	BBGE	
C[C@H](C1CC1)N(C)c1ncc(B(O)O)cn1	1981410161	WODBPPBZFIMWAX-SSDOTTSWSA-N	221.069	-0.609	50	10	BBGE	
CN(CCC(F)(F)C(=O)NN)CC(C)(C)O	1984130350	REJBEGQOTAYRGI-UHFFFAOYSA-N	239.266	-0.296	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)C1COC1	1985357534	QCHIRYIRYRDSBN-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC[C@@H]1C1(O)CC1	1987340780	NMJSZYQUZXAXAC-RKDXNWHRSA-N	227.308	-0.256	50	10	BBGE	
C[C@@](F)(Cn1ccc(B(O)O)n1)C(F)(F)F	1989407313	RTIGMUUNVURKER-ZCFIWIBFSA-N	239.965	-0.147	50	10	BBGE	
COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1Cl)C(=O)O	1991682834	NBMVAVCMPXFYJB-SRQIZXRXSA-N	249.650	-0.254	50	10	BBGE	
C=C(CN(C)CC1(N(C)C)CCC1)B(O)O	1992158652	BRTYBJAEAVNKTG-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](C)CNC[C@H]1C	1996966991	DSYYAVQJRUKGJE-DTWKUNHWSA-N	242.323	-0.917	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(n2cc(C)cn2)C1	2003904392	GLJJYBRLLLNRJQ-SNVBAGLBSA-N	237.307	-0.183	50	10	BBGE	
CC(C)c1nnc2n1CCN(CC(=O)NN)C2	2004033692	VYAMIKLWUAXJNB-UHFFFAOYSA-N	238.295	-0.793	50	10	BBGE	
CC(C)(C)[C@H]1CCN1c1ncncc1B(O)O	2004917025	SWKPACGHSSGLAV-SECBINFHSA-N	235.096	-0.219	50	10	BBGE	
OB(O)c1cccnc1N1CCOCC12CC2	2004931108	ZLDSFNGQBSUEAA-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CCN(CC(F)F)c1nc(C)ncc1B(O)O	2005013774	ALHOJHNIGSWVMQ-UHFFFAOYSA-N	245.038	-0.444	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC3(CCO3)C2)C1	2010834374	BXBAFFOGESJAIX-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
C[C@@H]1[C@H](N2CC(=O)OC(=O)C2)C2CCN1CC2	2017636698	CRZQCKYOAAZUOG-PELKAZGASA-N	238.287	-0.146	50	10	BBGE	
C=C(CN1CCC(n2cncn2)CC1)B(O)O	2021156629	AAZXGWXPMOUNPM-UHFFFAOYSA-N	236.084	-0.517	50	10	BBGE	
O=C(CCc1ccccc1)NCC#CB(O)O	2021164271	FHVQJDZRMXMLDJ-UHFFFAOYSA-N	231.060	-0.249	50	10	BBGE	
OB(O)c1cccc(COCc2ccncn2)c1	2080318968	MBDMQDYLZVGUPL-UHFFFAOYSA-N	244.059	-0.127	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N(C)[C@H]1C[C@@H](O)C1	2210106748	YCAVSBJDWIZADK-KXUCPTDWSA-N	229.324	-0.154	50	10	BBGE	
COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)[C@@H]1C[C@@H]1Cl	2210423931	ZZFVWRSTPFMOPT-WUNNTHRKSA-N	249.694	-0.807	50	10	BBGE	
NC1CCN(Cc2cccc(B(O)O)c2)CC1	2214593439	SVUNXWBDYSIPNB-UHFFFAOYSA-N	234.108	-0.711	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)CN1C	2216198368	IGXUEIPXNKYNJN-CHWFTXMASA-N	240.351	-0.363	50	10	BBGE	
Cc1cnc(OC2CCNCC2)cc1B(O)O	2217182598	BOBOMSBABPKTKO-UHFFFAOYSA-N	236.080	-0.799	50	10	BBGE	
Cc1cnc(OCC2(N)CCC2)cc1B(O)O	2217183453	IJZUWYMMSPIQQW-UHFFFAOYSA-N	236.080	-0.670	50	10	BBGE	
CC[C@](C)(CN)Oc1cc(B(O)O)c(C)cn1	2217194944	YYCQINVJPKZDQN-LLVKDONJSA-N	238.096	-0.424	50	10	BBGE	
C[C@H](COC(F)F)Nc1ncc(B(O)O)cn1	2217197348	LMXBVJXQGQPWLN-RXMQYKEDSA-N	247.010	-0.804	50	10	BBGE	
COC[C@H]1C[C@H](Nc2ccc(B(O)O)cn2)C1	2217198877	HOKXZGHIYNYTRI-CZMCAQCFSA-N	236.080	-0.402	50	10	BBGE	
Cc1nc([N+](=O)[O-])cn1-c1ccc(B(O)O)cn1	2223609853	NHILSNMGTHNTHA-UHFFFAOYSA-N	248.007	-0.836	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3O)nc1	2223632113	FWMLXCBEOWXURX-URPMGSGRSA-N	248.091	-0.667	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2223632392	JDXHBTJWLHQVLK-RNFDROQYSA-N	244.103	-0.148	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@@H]1CN=c1ncc(B(O)O)c[nH]1	2223638802	ZJAPWTGNMPNOJJ-PSASIEDQSA-N	249.123	-0.328	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CNC3(CCC3)C2)c1	2223640919	NUSIXLISMPBYJN-SNVBAGLBSA-N	247.107	-0.542	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@@H]3OCC[C@H]32)cc1B(O)O	2223651367	WPKVWGQDTSGXHT-GDPRMGEGSA-N	248.091	-0.341	50	10	BBGE	
CC(C)n1ccc(=Nc2ncccc2B(O)O)[nH]1	2223666173	KLUJTVOJIBZBEF-UHFFFAOYSA-N	246.079	-0.296	50	10	BBGE	
OB(O)c1ccc(N[C@H]2COC[C@H]2C2CC2)nc1	2223677247	LRQVEHDUTCOZLR-QWRGUYRKSA-N	248.091	-0.402	50	10	BBGE	
N#C[C@H](Cl)CN(CCO)CCCN	2241416969	MPBGAWXEYHTTDQ-QMMMGPOBSA-N	205.689	-0.240	50	10	BBGE	
CSCCC(=O)NCCC#CB(O)O	2241906500	BFJXPTBAVJKCQJ-UHFFFAOYSA-N	215.083	-0.739	50	10	BBGE	
CN(C[C@H](Cl)C#N)CC1(O)CNC1	2241930345	WPQZTSXUBCGFCX-SSDOTTSWSA-N	203.673	-0.617	50	10	BBGE	
CC[C@@H](C)N(C)C(=O)c1nscc1B(O)O	2243347243	JULPVUJIYFRINC-ZCFIWIBFSA-N	242.109	-0.307	50	10	BBGE	
C[C@@H](NC(=O)c1ccsc1B(O)O)C1CC1	2243361473	BUZIDXSCFOOKON-ZCFIWIBFSA-N	239.105	-0.044	50	10	BBGE	
NC1(CCNC(=O)C2(B(O)O)CCC2)CC1	2243363694	KQWKJHUWYPOPGF-UHFFFAOYSA-N	226.085	-0.619	50	10	BBGE	
C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243392914	XSZVMLSTDKRNCI-OYNCUSHFSA-N	222.053	-0.389	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243396253	JTXXHFPKTOBHGC-HRDYMLBCSA-N	226.085	-0.940	50	10	BBGE	
CC[C@@H](NC(=O)C1CC(B(O)O)C1)[C@H](C)O	2243396401	LSZKNBIXAKPGJI-DFAZKQQPSA-N	229.085	-0.485	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N(C)C	2243410188	WSVSKCQUDUSLFJ-UHFFFAOYSA-N	224.069	-0.720	50	10	BBGE	
O=C(NCc1ncco1)[C@H]1C[C@H](B(O)O)C1	2243426125	FGULEEIGFAHKIP-LJGSYFOKSA-N	224.025	-0.456	50	10	BBGE	
O=C(O)CN(C(=O)C1(B(O)O)CC1)C1CC1	2243758410	FHVBVUOTFCTGBN-UHFFFAOYSA-N	227.025	-0.931	50	10	BBGE	
O=C(C1CCOCC1)N1CCC(B(O)O)CC1	2246337443	DFZQQRQMKAIHMX-UHFFFAOYSA-N	241.096	-0.122	50	10	BBGE	
C#CC[C@H](C)CNC(=O)c1coc(B(O)O)c1	2247736215	SNORLOCIBADYIO-QMMMGPOBSA-N	235.048	-0.651	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N(O)C(C)C	2247752826	WLZQGIMEWZTPFL-UHFFFAOYSA-N	237.064	-0.085	50	10	BBGE	
C#CCN(C)CCCNC(=O)C1(B(O)O)CC1	2247755100	IWPQUEJJDIZIBF-UHFFFAOYSA-N	238.096	-0.935	50	10	BBGE	
CN(C)C[C@H]1CCN(C(=O)C2(B(O)O)CC2)C1	2247756153	RRKKYDIRPNLCGY-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
O=C(N1CC[C@@H]2CCN[C@@H]2C1)C1(B(O)O)CC1	2247758639	WAJWSQCWXVDWLD-DTWKUNHWSA-N	238.096	-0.796	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC[C@H]1N	2247807315	QMPMFMZYMQZGJH-ZYUZMQFOSA-N	240.112	-0.565	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1NC(=O)[C@H]1C[C@H](B(O)O)C1	2247810361	WUUMUDBZUHNSEA-AATLWQCWSA-N	240.112	-0.694	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](CO)C1CCCCC1	2247846926	OQGDKJBTHHTKAC-JTQLQIEISA-N	239.080	-0.941	50	10	BBGE	
C[C@H]1CCCC[C@@]1(CN)NC(=O)C#CB(O)O	2247848083	GUVLBCXGXREOEQ-ONGXEEELSA-N	238.096	-0.974	50	10	BBGE	
CCN1CCN(C(=O)[C@@H]2C[C@H]2B(O)O)[C@H](C)C1	2247852612	WXFXSRPYWSNJSP-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
CON1CCC(NC(=O)C2(B(O)O)CC2)CC1	2247853785	RJNCMKCDRRKGMK-UHFFFAOYSA-N	242.084	-0.865	50	10	BBGE	
C[C@H](CCC#N)NC(=O)c1occc1B(O)O	2247854839	JCEWHUKDLNKFEZ-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
CC(C)C[C@@H](N)CNC(=O)C1CC(B(O)O)C1	2247858115	AVYAARPVIXWEPC-UDNWOFFPSA-N	242.128	-0.271	50	10	BBGE	
CC1(C)CCN(C(=O)c2coc(B(O)O)c2)C1	2247872416	RMTWSZIPFJMAOV-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CC1(NC(=O)C2(B(O)O)CC2)CCC(O)CC1	2247879271	SPCVRVSOMHLAIZ-UHFFFAOYSA-N	241.096	-0.197	50	10	BBGE	
CC1(C)CNCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1B(O)O	2247887947	UCFCCDOUTJGZCZ-VGMNWLOBSA-N	240.112	-0.646	50	10	BBGE	
CN1CCC[C@H](N(C)C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897955	YUEGXMRIQHUUQO-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247899489	NPDDEKGJGMBEGC-RGOKHQFPSA-N	240.112	-0.789	50	10	BBGE	
C#CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247900700	ZAEMUPGVWMFYET-KXUCPTDWSA-N	237.064	-0.900	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N[C@@H]1C[C@H]1F	2247947189	RZGQCGQOLKWPIL-RKDXNWHRSA-N	238.027	-0.402	50	10	BBGE	
O=C(O)CC1(NC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2248573584	GVMKKTJVINTMTE-NKWVEPMBSA-N	241.052	-0.637	50	10	BBGE	
CC[C@](C)(NC(=O)[C@H]1C[C@H](B(O)O)C1)C(=O)O	2248577426	MUDRNMVBGARSEV-BYULHYEWSA-N	243.068	-0.391	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC[C@@H]1CCO1	2253126994	OAEFEATYOBPWOJ-JTQLQIEISA-N	237.064	-0.372	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1coc(B(O)O)c1	2255453246	PHCQTAFISCEQQD-AXAMDJFUSA-N	247.059	-0.656	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1ccc(B(O)O)o1	2255463691	MDRLEOAEJUSIFA-XHNCKOQMSA-N	249.075	-0.122	50	10	BBGE	
CN(CCc1ncccn1)C(=O)[C@@H]1C[C@@H]1B(O)O	2255570779	JCOIINWYJOMVHA-BDAKNGLRSA-N	249.079	-0.660	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1C1CCC1)c1cc(B(O)O)c[nH]1	2255670470	FWMOTZHWJHFNGM-NXEZZACHSA-N	248.091	-0.387	50	10	BBGE	
N#C[C@H]1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2255671592	UCIZXXQGVOAFHH-MRVPVSSYSA-N	247.063	-0.930	50	10	BBGE	
O=C(c1ccncc1B(O)O)N1CC[C@H]2CC[C@H]21	2255732930	CPAJVAROQVHSAT-LDYMZIIASA-N	246.075	-0.614	50	10	BBGE	
O=C(N[C@@H]1CCCC12CC2)c1c[nH]nc1B(O)O	2255792217	DCKWOBXPIQMTNS-MRVPVSSYSA-N	249.079	-0.848	50	10	BBGE	
C[C@H](NC(=O)c1nccnc1B(O)O)C1(C)CC1	2256054586	QSVWTLRKSIXTBW-ZETCQYMHSA-N	249.079	-0.925	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1cocc1B(O)O	2258128982	SIBMNKPMJWPBMA-MRVPVSSYSA-N	249.075	-0.121	50	10	BBGE	
O=C(Nc1ncccc1O)c1cocc1B(O)O	2258131262	RXZRDNWPTKKJAM-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c1	2298224568	OWTHLBBKLBSANJ-ASXGKARISA-N	230.076	-0.394	50	10	BBGE	
C[C@@H]1COCC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1B(O)O	2298368671	REGGYBBBXXZLBG-DOLQZWNJSA-N	241.096	-0.267	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@H]21)[C@@H]1C[C@H]1B(O)O	2298370835	NPFSNRPJQRIVMB-VAPHQMJDSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1C[C@H]1B(O)O	2298376540	ARTVWPZCRPFVKC-DJLDLDEBSA-N	237.068	-0.749	50	10	BBGE	
C[C@H]1CC[C@H](CN)N(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298377368	OCFFCWLUAIMIQC-JLIMGVALSA-N	240.112	-0.565	50	10	BBGE	
C=CC[C@@H](O)[C@H]1CCN1CC1(C(=O)NN)CC1	2299338896	WMLHPNUEMMDPPQ-NXEZZACHSA-N	239.319	-0.232	50	10	BBGE	
C#C[C@H]1CC[C@H](C(=O)NCC#CB(O)O)CC1	2300958585	GMTKUKGSRVHVJN-XYPYZODXSA-N	233.076	-0.442	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2302191811	ZAVXMIMBEYNSHY-SRQGCSHVSA-N	239.080	-0.515	50	10	BBGE	
C[C@]1(B(O)O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@@H]32)C1	2303105961	RLFPVBACAGDIMA-DKIAZLNASA-N	239.080	-0.513	50	10	BBGE	
C[C@]1(CN2CC[C@](C)(B(O)O)C2)COCCO1	2303157037	FQEZELOYQWKPCI-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
CC[C@](C)(CN1CCC12CN(C)C2)C(=O)NN	2303420984	FTOBXCNHAVQUBW-LLVKDONJSA-N	240.351	-0.218	50	10	BBGE	
CC[C@](C)(CN1CCN(C)[C@@H]2C[C@H]21)C(=O)NN	2303424900	WWNGGIZOUDGPHG-CKYFFXLPSA-N	240.351	-0.219	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)c1cc(B(O)O)c(F)cn1	2303834738	KWHRMUBHJIFOQU-XPUUQOCRSA-N	242.034	-0.305	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CCC[C@@H](O)C1	2317164795	DNALTJARPVDCAE-LLVKDONJSA-N	246.075	-0.801	50	10	BBGE	
CO[C@@H]1CC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317164845	DWUADWBRCPTPBB-VXGBXAGGSA-N	246.075	-0.173	50	10	BBGE	
COCCN(CCOC)[C@@H](C)CC(=O)NN	58847903	HEQPTSGEOZKOBH-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
NNC(=O)COCC(=O)NCc1ccccc1	58851739	IGJFQOOTUVPCPX-UHFFFAOYSA-N	237.259	-0.691	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCC[C@@H]1CO	82470379	MZRZEFWVAZGYDX-HTQZYQBOSA-N	201.270	-0.788	50	10	BBGE	
CCN(CCC#N)C[C@H]1CC[C@H](C(=O)NN)O1	110590927	LARMEMQKYCUKOI-NXEZZACHSA-N	240.307	-0.241	50	10	BBGE	
NNC(=O)c1ccoc1Cn1cccnc1=O	110919423	SFSJOVAWMZHAMX-UHFFFAOYSA-N	234.215	-0.512	50	10	BBGE	
C[C@@H](C(=O)NN)N(CCO)Cc1ccccc1	111820671	QEPIBXDQEQFYDV-JTQLQIEISA-N	237.303	-0.141	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC[S@](C)=O	135300138	KWIQWQWZZXOHLA-FPHPLZIGSA-N	240.712	-0.182	50	10	BBGE	
N[C@@H](CO)C(=O)OC(=O)c1ccccc1	168310063	QZAXCBHOJYLRBE-QMMMGPOBSA-N	209.201	-0.310	50	10	BBGE	
COC[C@H](C(=O)O)c1ccc(B(O)O)cc1	204559618	UOSKYZYFLXAUCF-VIFPVBQESA-N	224.021	-0.819	50	10	BBGE	
NNC(=O)CN1CCN2CCCC[C@@H]2C1	227398006	FVQHLNLRXQYCHB-SECBINFHSA-N	212.297	-0.854	50	10	BBGE	
O=C1NC[C@H]2[C@@H]1CCCN2C(=O)CCl	232280712	ZUBJKAMRBSWOKO-BQBZGAKWSA-N	216.668	-0.038	50	10	BBGE	
C[S@@](=O)CCNS(=O)(=O)CCCl	232301365	CMHHJMLPAQOBPC-LLVKDONJSA-N	233.742	-0.477	50	10	BBGE	
CCCCN(CCO)[C@@H](COC)C(=O)NN	232419679	IAXAAFLTICMWSS-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
C[C@H](C#N)c1ccc2c(c1B(O)O)OCO2	260163684	MHJRTBFOAOYDIO-ZCFIWIBFSA-N	219.005	-0.278	50	10	BBGE	
N[C@H]1C[C@@H](I)CNC1=O	306237965	PETGTHZFAMKFMA-DMTCNVIQSA-N	240.044	-0.363	50	10	BBGE	
NC(=O)c1cn(CCBr)nn1	306352626	ZNKNJUBDYSERBE-UHFFFAOYSA-N	219.042	-0.228	50	10	BBGE	
NNC(=O)CN1CC[C@@H](C(F)(F)F)C1	306803810	WJZVTCBFXAEFFR-RXMQYKEDSA-N	211.187	-0.140	50	10	BBGE	
OB(O)c1cc(O)c(Br)c(F)c1	306821479	KRIPFHSXPBGCQE-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
NNc1c(Br)cccc1B(O)O	306902028	PNFCTXORXYVQGD-UHFFFAOYSA-N	230.858	-0.586	50	10	BBGE	
Nc1ccc(B(O)O)c2c(O)csc12	307172552	PRSNBQOWYXXXLK-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
COC[C@H](C(=O)NN)n1cnc(C2CC2)n1	309227802	CNJQETMYPVMSDX-SSDOTTSWSA-N	225.252	-0.667	50	10	BBGE	
CCCN(CC(N)=O)[C@H](C)[C@H](C)C(=O)NN	309258128	AVGFBCZQLSTDJN-JGVFFNPUSA-N	230.312	-0.802	50	10	BBGE	
NC[C@@H](CCl)S(=O)(=O)[C@@H](CN)CCl	379353462	FLOJIQRDVGSGFK-PHDIDXHHSA-N	249.163	-0.467	50	10	BBGE	
CC(=O)Cc1ccc(B(O)O)cc1C#N	396103663	UDWOTNQVRPTLJV-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN(CC(C)(C)C(=O)NN)C1	398801010	IIHFIGNEOREDMU-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1CCOC1)C(=O)NN	398838712	LBPLZNYUWUCZMM-BDAKNGLRSA-N	215.297	-0.419	50	10	BBGE	
O[C@H]1COCCN(CCOCCCl)C1	399973317	JWOVLWHNATUWLF-SECBINFHSA-N	223.700	-0.065	50	10	BBGE	
CC[C@@H]1CN(CCC(=O)NN)[C@H](C)CO1	404006397	BYHGHEUWKDIGDN-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](Cl)C1=C=[N+](CC(C)(C)O)NN1	642851711	FIKQIFBUNSPZGR-LURJTMIESA-N	204.681	-0.027	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H](C)CO	688395151	MYFWIPSCJUNIEP-IUCAKERBSA-N	217.313	-0.439	50	10	BBGE	
N#CC1(O)CCN(C(=O)Cn2cncn2)CC1	692105656	AGGNFSHQSCXFEC-UHFFFAOYSA-N	235.247	-0.845	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2CCC(F)(F)C2)c1	694562528	FVZHPLKKLSPRKN-SSDOTTSWSA-N	230.023	-0.002	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CC2(CCCO2)C1	702937601	DROKKSXHWHRCLO-RKDXNWHRSA-N	227.308	-0.134	50	10	BBGE	
C[C@@H](C(=O)N(C)C)N1[C@H]2CC[C@H]1C(=O)OC2=O	703423730	BVKYWAAAAZMVDS-FXQIFTODSA-N	240.259	-0.621	50	10	BBGE	
C[C@@]1(Cn2ccc(B(O)O)n2)CC1(F)F	703722113	QHNJCGYZMOVVFQ-ZETCQYMHSA-N	215.996	-0.392	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CCn1cnnc1	707425061	HRRXENCKGRXLDP-IUCAKERBSA-N	240.311	-0.776	50	10	BBGE	
C[C@@H]1CN(C)CCN(CCCC(=O)NN)C1	707565403	STIAIIYUVZARCL-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)CC1CN(C)C1	709600373	XICCASFHMCSABU-IUCAKERBSA-N	228.340	-0.506	50	10	BBGE	
C[C@H]1CCN(C(=O)C(=O)NN)C[C@H](C)C1	723836892	AWBZONXFLRSSTG-JGVFFNPUSA-N	213.281	-0.129	50	10	BBGE	
CO[C@@H]1CCOC[C@H]1N1CC(=O)OC(=O)C1	725060094	JNTSHHBTBFNBGN-HTQZYQBOSA-N	229.232	-0.824	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)[C@H]1CCC(=O)N1	863148552	DXEVBMIDWUMUCX-JGVFFNPUSA-N	227.264	-0.351	50	10	BBGE	
CC(C)(C)OC(=O)NN=C[C@H](O)CO	1084053419	RPUOROCHMMCBQK-LURJTMIESA-N	204.226	-0.150	50	10	BBGE	
C=CCNC(=S)NNC(=O)[C@H]1CCN1CC	1135525189	BUBPRPLRSOEVLH-MRVPVSSYSA-N	242.348	-0.238	50	10	BBGE	
CCn1ncc(C=NNC(=O)c2cn(C)nn2)n1	1350466540	ZYPMXNROCMTPCK-UHFFFAOYSA-N	248.250	-0.810	50	10	BBGE	
CCNC(=O)NNC(=O)C1=C[S@@](=O)CCC1	1597672511	XZWKMAMJEMPLGA-INIZCTEOSA-N	245.304	-0.237	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)C[C@@H]1CCC(=O)NC1	1639064615	TXCAFEUJMNGHQS-BDAKNGLRSA-N	243.307	-0.754	50	10	BBGE	
O=C(CCCCl)N[C@@H](CO)C(=O)O	1865986551	CMACWQWHUXXPMG-YFKPBYRVSA-N	209.629	-0.433	50	10	BBGE	
O=C(CNO)NC[C@@H]1C[C@@H]1Br	1877361917	QSKWLKBUEZSNRW-WHFBIAKZSA-N	223.070	-0.135	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1Cl)[C@@H]1C[C@H](O)CN1	1877393428	GTDXZGKDQKHULZ-HSNKUXOKSA-N	218.684	-0.547	50	10	BBGE	
O=C(N[C@@H]1CNOC1)[C@H]1C[C@H]1Br	1877422100	AJHGACSZVJDYTH-NGJCXOISSA-N	235.081	-0.211	50	10	BBGE	
O=C(NNCCO)[C@H]1C[C@H]1Br	1880436646	PYUNKZLECBZJAC-CRCLSJGQSA-N	223.070	-0.617	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H](O)C1	1882572725	RUKQHUHDVFZDEJ-ACZMJKKPSA-N	207.657	-0.432	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCNC1	1883647226	JZTJOXZKSZURGO-UGQQDIOTSA-N	202.641	-0.214	50	10	BBGE	
CCc1nnsc1CNC(=O)NN	1886688112	ZFYVEESRIUGXJX-UHFFFAOYSA-N	201.255	-0.227	50	10	BBGE	
CC(CO)(CO)NC(=O)C=CC(=O)Cl	1893411196	UADNBUASTLILGC-UHFFFAOYSA-N	221.640	-0.833	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1CO)[C@H]1C[C@@H]1Cl	1893462521	ZBQAUNLIMWQDHG-DKXJUACHSA-N	219.668	-0.263	50	10	BBGE	
C=C(CO[C@H]1COCC[C@@H]1C)B(O)O	1895211756	JLAARCNSKQGUCX-CBAPKCEASA-N	200.043	-0.004	50	10	BBGE	
CO[C@@H]1CC(C(=O)NNC(N)=S)C[C@H]1OC	1895313671	DVZSXVJSILOKGW-RNFRBKRXSA-N	247.320	-0.709	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1O	1898826926	WMMDRLROJLXCPD-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCc2cccnc21	1900629581	LWHJTNJQAGTFKN-ZETCQYMHSA-N	220.232	-0.825	50	10	BBGE	
CN(NC(=O)[C@@H](CN)C1CCC1)S(C)(=O)=O	1901339045	HESGMKNFYBFDER-QMMMGPOBSA-N	249.336	-0.716	50	10	BBGE	
CS(=O)(=O)CNC(=O)OCC#CCCl	1902404932	ZSFIVMRNZSRWGL-UHFFFAOYSA-N	239.680	-0.043	50	10	BBGE	
O=C(c1ccnnc1)N1CC[C@@H](B(O)O)C1	1902522089	NAXFATACEDWLOD-MRVPVSSYSA-N	221.025	-0.835	50	10	BBGE	
CC[C@@](C)(CN1CCOCCO1)C(=O)NN	1902715843	LFYMGZDGKPNYTG-JTQLQIEISA-N	231.296	-0.344	50	10	BBGE	
CSC1CC(Oc2ncc(B(O)O)cn2)C1	1905206951	AJBNLGQJAFQGRV-UHFFFAOYSA-N	240.093	-0.571	50	10	BBGE	
CCOC(=O)c1nn(C)cc1[C@@H](N)[C@@H](O)C#N	1906069959	YGWHSYNUUKXDKF-JGVFFNPUSA-N	238.247	-0.519	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2C[C@H]3C[C@@H]3C2)O1	1909805737	QZMCBQAFPZKUDP-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)[C@H]1C	1914253939	HJRUGZBXOZARFB-RBXMUDONSA-N	215.297	-0.544	50	10	BBGE	
CO[C@@H]1CCN(CCCC(=O)NN)[C@H]1C	1914334079	FEUKYKYJTQOYHC-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
CCN(C1COC1)[C@H](C(=O)NN)C(C)C	1915659334	YLBJPKKTPWUXCB-VIFPVBQESA-N	215.297	-0.278	50	10	BBGE	
OB(O)c1ccc(CN2CC(F)C2)c(F)c1	1917260978	DXVJGYOTYZGMSY-UHFFFAOYSA-N	227.019	-0.341	50	10	BBGE	
O=S(=O)(O[C@H]1CNOC1)C(Cl)Cl	1923935066	OJGTXLSCVVXYIV-VKHMYHEASA-N	236.076	-0.003	50	10	BBGE	
COC[C@H](C)N(C)CC(F)(F)C(=O)NN	1927817025	WFNMSEILDZBDQD-LURJTMIESA-N	225.239	-0.422	50	10	BBGE	
NC(=O)[C@@H](NC(=O)CCCl)C1CC1	1932385203	PNAIUILPJIOZSJ-ZETCQYMHSA-N	204.657	-0.005	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@]12CCOC2	1935061856	YZEXUUBADLORMG-IONNQARKSA-N	200.238	-0.974	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1CC(F)(F)C(=O)NN	1935928962	MPKODUISYMFKEF-BQBZGAKWSA-N	237.250	-0.543	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NC(=O)c2cnn(C)n2)C1	1937191363	SYPWYTZCZGRQLP-HTRCEHHLSA-N	243.698	-0.534	50	10	BBGE	
CC(C)[C@]1(O)CCN(C[C@@H](C)C(=O)NN)C1	1937982742	YNNYVKUFBLSONS-KOLCDFICSA-N	229.324	-0.295	50	10	BBGE	
CCCN(CCOC)CC(F)(F)C(=O)NN	1939256218	PMOOHOGCVDEOQF-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H]2CCC[C@@H]21	1941084101	WCFOVCGAWYBITG-ZRUFSTJUSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3COC[C@@H]3C2)CC1	1945883149	UUAOZKAXHWFXBZ-ZJUUUORDSA-N	239.319	-0.275	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)[C@H](C(=O)NN)C(C)(C)C	1946076377	RVJFZFHQTCPMFC-IONNQARKSA-N	244.339	-0.413	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H]2C[C@@H](O)[C@H]2C1	1946111171	VGCVNLZPDBTXLR-UKKRHICBSA-N	241.335	-0.296	50	10	BBGE	
C=CCN(CCC(=O)O)CC(=O)NNC(C)=O	1949725585	ZPUSDEYYDBQVBX-UHFFFAOYSA-N	243.263	-0.884	50	10	BBGE	
N#C[C@H](O)[C@@H](N)c1ccc(O)c(O)c1O	1952876307	FRRZNKAYKQNVLP-BQBZGAKWSA-N	210.189	-0.312	50	10	BBGE	
O=S(=O)(CCl)N1CC([C@H](F)CO)C1	1953833527	SBRNJCDVAVEDJR-ZCFIWIBFSA-N	231.676	-0.225	50	10	BBGE	
CN1CCN(C[C@@H](O)CCl)[C@@H]2C[C@@H]21	1953943093	AXBXBSYGWDMIGH-XHNCKOQMSA-N	204.701	-0.026	50	10	BBGE	
NNC(=O)CCN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@@H]21	1958452253	KELTXGGELAIKJA-VGRMVHKJSA-N	209.249	-0.767	50	10	BBGE	
CCC[C@@H](NC(=O)C(=O)NN)C(F)(F)F	1962119063	IJZZEESPVUWSEB-SCSAIBSYSA-N	227.186	-0.177	50	10	BBGE	
COCCSCC(=O)N1CC[C@@H](B(O)O)C1	1964510036	IALABRRFOFGNNW-MRVPVSSYSA-N	247.125	-0.559	50	10	BBGE	
NNC(=O)CCN1CCc2ncccc2C1	1977058659	VCIYAPNUBQKCBE-UHFFFAOYSA-N	220.276	-0.180	50	10	BBGE	
COCC1(C(=O)O)CN(C(=O)NN(C)C)C1	1980473505	SDBXUULEOHECPM-UHFFFAOYSA-N	231.252	-0.794	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H]3CCC[C@H]32)nc1	1981413175	CEVBDLJNBXSKKD-IONNQARKSA-N	219.053	-0.855	50	10	BBGE	
Cn1nc(N2CC=C(C#N)CC2)nc1CO	1981650139	KYYQQQIRGHXQQC-UHFFFAOYSA-N	219.248	-0.033	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@H]1CC1(F)F	1984103042	ZSGIJQSLKCYQBC-ZCFIWIBFSA-N	228.991	-0.817	50	10	BBGE	
C[C@H](Cn1cnc(C(F)(F)F)n1)C(=O)NN	1984597588	RNTBRZLZKJMDJS-SCSAIBSYSA-N	237.185	-0.077	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H](O)C[C@H]2C1)C(=O)NN	1986731145	ZOVQEQHICKDZIC-DOLQZWNJSA-N	227.308	-0.685	50	10	BBGE	
CN(C)C[C@H]1CN(CC(=O)NN)C(C)(C)C1	1989786762	CRRUZMFRGAYRDR-VIFPVBQESA-N	228.340	-0.362	50	10	BBGE	
NC(=S)NNC(=O)c1ccnc2[nH]cnc12	1989796248	PDHIAEVNTBFXSB-UHFFFAOYSA-N	236.260	-0.564	50	10	BBGE	
CN1C[C@H](C(=O)NC[C@H]2C[C@H]2Cl)NCC1=O	1991431712	GMVLWIOGSJKGFB-BWZBUEFSSA-N	245.710	-0.840	50	10	BBGE	
O=C(O)CN1CCN(C[C@@H]2C[C@@H]2Cl)CC1=O	1991436660	AOVIZWAQLOLTSL-YUMQZZPRSA-N	246.694	-0.158	50	10	BBGE	
O=C(O)[C@]1(O)CCN(C[C@@H]2C[C@@H]2Cl)C[C@@H]1O	1991847158	UQGIBHIRITYJOK-GHCJXIJMSA-N	249.694	-0.504	50	10	BBGE	
C=C(CN1CCN(C2CC2)C[C@H]1C)B(O)O	1992166993	BXRVPTWDADEDFI-SNVBAGLBSA-N	224.113	-0.277	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1ccccc1B(O)O	1992835329	AWKMUVZSSXBMMI-MRVPVSSYSA-N	217.033	-0.882	50	10	BBGE	
Cn1ccnc1[C@@H]1CCN(CCC(=O)NN)C1	2004405988	DLZZJFMSJRRUES-SECBINFHSA-N	237.307	-0.411	50	10	BBGE	
Cc1nc(N2CCCC23CC3)ncc1B(O)O	2004975086	UHHRIQFTHUHCTD-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CO[C@@H]1CC1(F)F	2011546323	IGWQZZZQSOYKNP-SSDOTTSWSA-N	246.217	-0.052	50	10	BBGE	
CCOC12CC(C1)N([C@@H](COC)C(=O)NN)C2	2013067124	DUVNSYJCTGTOJV-YUCVTWSNSA-N	243.307	-0.755	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	2013925525	JIOGIGVLVOLNGL-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](Cn1ccc(B(O)O)n1)N1CCCCC1	2014985994	APUJHWSBQKQUEP-SNVBAGLBSA-N	237.112	-0.563	50	10	BBGE	
C[C@H](CN(C)[C@H]1CCN2CC[C@H]1C2)C(=O)NN	2017621336	AEHZQRLLANCHBV-VWYCJHECSA-N	240.351	-0.362	50	10	BBGE	
OB(O)c1cccnc1O[C@H]1COCC1(F)F	2020349060	QZIPAESIXPISBR-ZETCQYMHSA-N	244.990	-0.826	50	10	BBGE	
COC[C@]1(C)CCCN1CC(=O)NNC(C)=O	2024858490	KDFWWJSTFVCTOW-NSHDSACASA-N	243.307	-0.345	50	10	BBGE	
CCC12COC(Cn3cc(B(O)O)cn3)(C1)C2	2025121650	YVDYWGYZOMYQCR-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
C[C@]1(CN2[C@H]3CC[C@H]2C(=O)OC3=O)CC(=O)N1	2025634791	RPERCALHGGSVGO-OKTBNZSVSA-N	238.243	-0.819	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC(CO)C2)cc1	2031672294	LLLVAIBMTCCSQA-UHFFFAOYSA-N	249.314	-0.357	50	10	BBGE	
CCc1cc(B(O)O)ccc1C(=O)OC	2054795816	GETBQZRDSSKODW-UHFFFAOYSA-N	208.022	-0.285	50	10	BBGE	
O=Cc1cc(F)c([N+](=O)[O-])cc1B(O)O	2060055801	DOVDUGBNLSOULQ-UHFFFAOYSA-N	212.929	-0.774	50	10	BBGE	
CCOc1cc(C)c(B(O)O)cc1C#N	2060204005	QIRCQOVGZSUAJT-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
Cc1cnc(N2C[C@@H]3COCC[C@@H]32)c(B(O)O)c1	2073043283	NFSAXFVIHIHAMG-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1csc(OCC2(F)CC2)n1	2209678314	WUPGHHUEVKFAPZ-UHFFFAOYSA-N	217.030	-0.296	50	10	BBGE	
C[C@@H](F)CCN=c1[nH]ccc(B(O)O)c1F	2212604092	MDQNCCHCEOGXME-ZCFIWIBFSA-N	230.023	-0.518	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2OCC[C@@H]2F)c1	2217176465	WPYIAQSPGGSDSL-IUCAKERBSA-N	240.043	-0.700	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@]23CC3(F)F)nc1	2217178744	ZGZYQWFTSGGDJU-APPZFPTMSA-N	240.018	-0.029	50	10	BBGE	
C[C@@H]1CCN[C@@H]1COc1ccc(B(O)O)cn1	2217185324	VMEKXQVWAWUMEH-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1cnc(=NC[C@@H]2C[C@@H]2C2CC2)[nH]c1	2217185435	XHMAQNKYKMLURF-WCBMZHEXSA-N	233.080	-0.964	50	10	BBGE	
CC(C)[C@@H](CN)Oc1nccc(B(O)O)c1F	2217187289	VXWVISIMEVFMFV-MRVPVSSYSA-N	242.059	-0.737	50	10	BBGE	
CCCNCCCOc1ccc(B(O)O)cn1	2217187759	DJLOAAQAQSPQBD-UHFFFAOYSA-N	238.096	-0.470	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2CCCCN2)c1	2217195856	AMZIKQMJRODKAR-SNVBAGLBSA-N	235.096	-0.685	50	10	BBGE	
OB(O)c1ccc(=NCc2ccncc2F)[nH]c1	2223648249	JCHZITGGIQWTTF-UHFFFAOYSA-N	247.038	-0.671	50	10	BBGE	
C#CC[C@](C)(CN)COc1ccc(B(O)O)cn1	2223659232	STSXPRAVDDREAH-GFCCVEGCSA-N	248.091	-0.872	50	10	BBGE	
O=C(NC1CC(F)C1)[C@H]1C[C@@H]1B(O)O	2241495591	LBIBEORNRDVRER-FTDRKVFOSA-N	201.006	-0.534	50	10	BBGE	
O=CNc1ccc(B(O)O)c(F)c1F	2241556190	UVOJRVXAVWSHNE-UHFFFAOYSA-N	200.937	-0.787	50	10	BBGE	
O=C(N[C@H]1C[C@H](Cl)C1)[C@@]1(O)CCNC1	2241658784	SEVNCWKBTWKLPK-ZXFLCMHBSA-N	218.684	-0.403	50	10	BBGE	
N=c1[nH][nH]c(=N[C@H]2C[C@H](Br)C2)[nH]1	2242399344	DMFXBTMCHBWVEM-JPYJGEKTSA-N	232.085	-0.023	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC[C@H](F)C1	2243348142	UNBMNSWSUNCEAA-ZETCQYMHSA-N	227.000	-0.857	50	10	BBGE	
COc1ccc(NC(=O)C#CB(O)O)cc1	2243356882	ODVGKTMVOXUXRO-UHFFFAOYSA-N	219.005	-0.351	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)C1(CO)CC1	2243363018	AAMAGPYMHSNAPL-UHFFFAOYSA-N	227.069	-0.633	50	10	BBGE	
CC(C)(C)ONC(=O)c1occc1B(O)O	2243363775	MFJGVRAPSBYJAQ-UHFFFAOYSA-N	227.025	-0.581	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1sccc1B(O)O	2243375440	SZJZVNXPWUMBJM-SSDOTTSWSA-N	237.089	-0.124	50	10	BBGE	
O=C(NCCC1CC(O)C1)[C@@H]1C[C@@H]1B(O)O	2243391090	GIEMPWOXGJSDHU-YNTFGVKOSA-N	227.069	-0.874	50	10	BBGE	
CCn1cnnc1NC(=O)C1(B(O)O)CC1	2244748757	KOVDIOUPCHWTPG-UHFFFAOYSA-N	224.029	-0.757	50	10	BBGE	
CO[C@@H](C)[C@H](C)NC(=O)c1coc(B(O)O)c1	2247733863	DNBYNXNTKWOQFI-BQBZGAKWSA-N	241.052	-0.887	50	10	BBGE	
CC(C)NC(=O)CNC(=O)C1(B(O)O)CCC1	2247735524	ZSGSYMDJKOWICW-UHFFFAOYSA-N	242.084	-0.976	50	10	BBGE	
C[C@H]1C[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2247754226	CUJYZMILPSOMPF-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
O=C(N1C[C@H]2C[C@H]1[C@H]2CO)C1(B(O)O)CCC1	2247758266	UQTXOMXZKVEXGT-VGMNWLOBSA-N	239.080	-0.777	50	10	BBGE	
CCC1CC(NC(=O)c2c[nH]nc2B(O)O)C1	2247785855	RIMRUNDTYOUSPQ-UHFFFAOYSA-N	237.068	-0.992	50	10	BBGE	
CC[C@@H]1COCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247809154	OGCBFYIYDKHGHO-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)C2(CCC2)C1	2247809158	OKPKDRNTWOKEJR-CIUDSAMLSA-N	238.096	-0.668	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247855193	OOOJUBOCFFDMNO-VGMNWLOBSA-N	240.112	-0.565	50	10	BBGE	
CC[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)o1	2247869098	LXNHNIOHHCTVLB-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CN2CC[C@H]1C2	2247872112	NBXVOQCAIZRURK-IUCAKERBSA-N	238.096	-0.844	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NOCCF)c1	2247873233	HDDUUSQFXXZNIK-UHFFFAOYSA-N	241.027	-0.694	50	10	BBGE	
COC(=O)CCN(C)C(=O)C1(B(O)O)CCC1	2247879523	UCGKNCLRZGKSFP-UHFFFAOYSA-N	243.068	-0.595	50	10	BBGE	
Cc1nccn1CCNC(=O)[C@@H]1C[C@@H]1B(O)O	2247895325	RFNHZPSWBWXEON-BDAKNGLRSA-N	237.068	-0.829	50	10	BBGE	
COC[C@]1(C)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247897034	NGXRPXCIRLPXSS-IQJOONFLSA-N	241.096	-0.266	50	10	BBGE	
C[C@H](CCCC(=O)O)NC(=O)C1(B(O)O)CC1	2248573923	LKTWLZLEGSLRFN-SSDOTTSWSA-N	243.068	-0.247	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)co1)C1CCC1	2249407581	NJUONUQDTMDQSO-SSDOTTSWSA-N	237.064	-0.122	50	10	BBGE	
O=C(NC[C@@H]1CC1(F)F)c1cc(B(O)O)co1	2249419976	NVEFKMOMOJVFRM-YFKPBYRVSA-N	244.990	-0.656	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)c2cocc2B(O)O)[C@@H]1C	2249431588	QJEXCBFHSLKNSY-BRDIYROLSA-N	237.064	-0.266	50	10	BBGE	
C#CC[C@H](C(=O)NCCC#CB(O)O)C1CC1	2250003196	UYTSUPMQSHZVTE-NSHDSACASA-N	233.076	-0.442	50	10	BBGE	
C=C[C@H](C)CCNC(=O)c1cc(B(O)O)c[nH]1	2251011978	IUBVNUXGYMTGJL-QMMMGPOBSA-N	236.080	-0.364	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1C[C@H]2C[C@H]2C1	2255720481	SJUQVXKWGOMDPY-OCAPTIKFSA-N	249.050	-0.403	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cc(B(O)O)cn1C1CC1	2255739657	NSNILFADSXXZCY-MRVPVSSYSA-N	248.091	-0.263	50	10	BBGE	
Cc1cc(NC(=O)c2cocc2B(O)O)n(C)n1	2258130527	IHDPUJCGVBYCQW-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298370774	MBCMVRCVSXBZLK-KDXUFGMBSA-N	241.096	-0.628	50	10	BBGE	
CC1(C)[C@@H](CO)CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298371564	PAZFRJHGTSBWNE-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
C[C@H]1C[C@H](O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298375728	XWQQCPZZIUJVGG-JLIMGVALSA-N	241.096	-0.531	50	10	BBGE	
CO[C@H](C)COc1ccc(C=O)c(B(O)O)c1	2301420857	MOFIKROSQDTSHU-MRVPVSSYSA-N	238.048	-0.407	50	10	BBGE	
C[C@@H](CCCC(=O)NN)n1cc(C(N)=O)cn1	2302045723	WJGFGVRNSFRWFJ-ZETCQYMHSA-N	239.279	-0.297	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H]2C[C@H]1[C@H]2CO	2302061185	QTGHNSRKHVXUMT-ZNSHCXBVSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC(=O)N2CCCC2)C1	2303099632	QCPJZUWFZAOIQG-NSHDSACASA-N	240.112	-0.452	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@H]2[C@H]1CO)C(=O)NN	2303424903	WWTBMIGDOIGTAV-BTQIBKBOSA-N	241.335	-0.295	50	10	BBGE	
CC[C@@](C)(CN(CCO)CCOC)C(=O)NN	2303426304	MOUAYKUDQAFRBR-NSHDSACASA-N	247.339	-0.667	50	10	BBGE	
CC[C@@H](CN)COc1cc(B(O)O)c(F)cn1	2303853821	YBKLUEPJXBSSNB-ZETCQYMHSA-N	242.059	-0.736	50	10	BBGE	
C=CC[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@H]1B(O)O	2303967795	RPYWTQKYALHNSF-AXTSPUMRSA-N	239.080	-0.443	50	10	BBGE	
CN(C[C@H]1[C@@H]2CCO[C@@H]21)c1ccncc1B(O)O	2309864483	GZIZBIYWDFNCTD-AUTRQRHGSA-N	248.091	-0.768	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CC[C@H]1C2	2312856891	XRMILDOBMCURML-WPRPVWTQSA-N	248.091	-0.291	50	10	BBGE	
CCC[C@H](O)CNc1ccc(B(O)O)cc1C#N	2317150180	BPWIJLPBSQIAHH-NSHDSACASA-N	248.091	-0.189	50	10	BBGE	
C[C@]1(O)CCN(c2ccc(B(O)O)cc2C#N)C1	2317164073	VFPHZGDULINOKD-LBPRGKRZSA-N	246.075	-0.801	50	10	BBGE	
C[C@]1(O)C[C@H]2C[C@H]1N(c1ccc(B(O)O)cn1)C2	2317402418	CQIODCRAMBCYAP-UISBYWKRSA-N	248.091	-0.889	50	10	BBGE	
N[C@H](CCC[C@](N)(CCl)C(=O)O)C(=O)O	26264785	GAAZDRFRBSKQJW-XRGYYRRGSA-N	238.671	-0.411	50	10	BBGE	
NNC(=O)c1cc(CN2CCCC2)on1	82466032	YTESHBMVPKFMJS-UHFFFAOYSA-N	210.237	-0.126	50	10	BBGE	
NNC(=O)CCN1CCCC[C@@H]1CO	82470377	QEQKZYXKVCSCKG-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
C[C@@H](CN1CCC[C@H](O)C1)C(=O)NN	82470437	CPNWTEQOVOVFOC-YUMQZZPRSA-N	201.270	-0.931	50	10	BBGE	
N#Cc1nccn1C[C@H]1CC[C@H](C(=O)NN)O1	94940825	MUQGEECCUPZEPL-HTQZYQBOSA-N	235.247	-0.708	50	10	BBGE	
CN(C)CCCN1CC(=O)OC(=O)C1	111217679	VFQHPARTQMTEOJ-UHFFFAOYSA-N	200.238	-0.677	50	10	BBGE	
O=C(NNC(=O)c1ccoc1)C1=COCCO1	142992235	XBVPTIDYACCPHT-UHFFFAOYSA-N	238.199	-0.071	50	10	BBGE	
C[C@@H](CN(C)C(=O)NN(C)C)C(=O)O	149116245	DNWFAOFTYFENBV-LURJTMIESA-N	203.242	-0.175	50	10	BBGE	
CN(C)NC(=O)C1(/C(N)=N/O)CCCC1	149699583	AJIPJPFOWYUUOP-UHFFFAOYSA-N	214.269	-0.114	50	10	BBGE	
O=c1[nH]ccnc1S(=O)(=O)CCCl	165499836	DMQMSCJJLKODQY-UHFFFAOYSA-N	222.653	-0.218	50	10	BBGE	
CSCCN(C)C[C@@H]1CC[C@H](C(=O)NN)O1	167809096	NFDJBDGTEAXETG-DTWKUNHWSA-N	247.364	-0.181	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H]1C	211986812	FOFVBRBWPKTJCB-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](C(N)=O)CC[C@@H]1C	223097958	CGLQKTYERGYJKS-XHNCKOQMSA-N	242.323	-0.659	50	10	BBGE	
C[C@@H]1CN(C(=O)CCl)C[C@H](CO)O1	229951467	RKVZJQYAMSPCMS-RNFRBKRXSA-N	207.657	-0.167	50	10	BBGE	
CC[C@@H]1CO[C@@H](C)CN1[C@@H](COC)C(=O)NN	232419981	CNLYXVCISQOAPB-AEJSXWLSSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@@H]1CONC1=O	235069923	ZVEDODSSAVPKGF-QWWZWVQMSA-N	237.053	-0.684	50	10	BBGE	
CCNC(=O)[C@H](Br)C(N)=O	238251775	CEUBNRAHAHDKNJ-GSVOUGTGSA-N	209.043	-0.629	50	10	BBGE	
CS(=O)(=O)O[C@@H]1COC[C@@H]1Cl	238376179	LVYJUNHEDWAEBF-CRCLSJGQSA-N	200.643	-0.031	50	10	BBGE	
C[C@H](N)CSS(=O)(=O)C[C@@H](C)N	238423986	PJSOLYYNDXWCQT-NTSWFWBYSA-N	212.340	-0.256	50	10	BBGE	
C[C@@]1(O)CC[C@@H](O)C/C1=N\NC(N)=O	238501950	FWJCJMHZRVAVKZ-BWEFNLNHSA-N	201.226	-0.694	50	10	BBGE	
Cn1c(C=O)c(B(O)O)c2ccccc21	238530166	OHOJQJGZXYXFKK-UHFFFAOYSA-N	203.006	-0.329	50	10	BBGE	
O=CN[C@@H](CCBr)C(=O)O	238664256	PDSAPIFDWIPBDW-BYPYZUCNSA-N	210.027	-0.029	50	10	BBGE	
CC(C)NC(=O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	252610169	ULWLDNUQUTUHHV-IUCAKERBSA-N	244.339	-0.543	50	10	BBGE	
O=C1NNC[C@H](OCCCl)[C@H]1Cl	307024684	WLXBFGPBTZKPOA-CRCLSJGQSA-N	213.064	-0.148	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1COC[C@H]1O	307588674	YDCJCNVFHHJUTF-HCWXCVPCSA-N	238.081	-0.354	50	10	BBGE	
CC[C@@H]1CN([C@H](COC)C(=O)NN)CCCO1	310028274	YBMXXTNWJMUFHF-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](C)[C@@](C)(CN)C1	310339361	CJNSNEPDILVOAR-WDCWCFNPSA-N	242.367	-0.082	50	10	BBGE	
C[C@H](CN)OC(=O)CSS(=O)(=O)O	379342019	BGNVFWIVTBEEFV-SCSAIBSYSA-N	229.279	-0.587	50	10	BBGE	
N[C@@H](C[C@H](Cl)C[C@@H](N)C(=O)O)C(=O)O	381629736	PPUCBWZLTMGQIM-ZGQXEFDQSA-N	224.644	-0.802	50	10	BBGE	
COC(=O)O/C=C(/C=N/NC(N)=O)OC	382646867	ZRLLFSWZDJSBOH-SMPMWSNWSA-N	217.181	-0.089	50	10	BBGE	
OB(O)c1ccccc1Cn1cnc(C2CC2)n1	385808083	RABYLBXOSJNBCN-UHFFFAOYSA-N	243.075	-0.116	50	10	BBGE	
NNC(=O)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2	394219961	MMLJWWZKDFMGLB-CIUDSAMLSA-N	225.292	-0.081	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)[C@@H]1C[C@H]2CC[C@H]1O2	395383382	UHIUAKWDYDHLEK-OOJXKGFFSA-N	227.264	-0.952	50	10	BBGE	
O=C(CCl)Cc1cc(B(O)O)ccc1O	396018406	CUFNZLPEZZTOAZ-UHFFFAOYSA-N	228.440	-0.578	50	10	BBGE	
N#Cc1ccc(B(O)O)c(CCC(=O)O)c1	396116117	XBYYGXQBJIVGFU-UHFFFAOYSA-N	219.005	-0.745	50	10	BBGE	
N#CCCc1cccc(B(O)O)c1/C=C/C(=O)O	396140883	KLEZLWUPRKJQTE-VOTSOKGWSA-N	245.043	-0.080	50	10	BBGE	
CN(CCCC(=O)NN)CC[S@@](C)=O	399878752	DKSCKUJBJLUYDV-CQSZACIVSA-N	221.326	-0.933	50	10	BBGE	
CC[C@@H]1CN([C@H](C)CCC(=O)NN)C[C@@H]1O	399925754	QXSMKGSYQPCKJF-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
Cn1nnc(C2=NO[C@@H](CCl)C2)n1	575471227	IELSIBGAFYLEGX-SCSAIBSYSA-N	201.617	-0.058	50	10	BBGE	
CC(=O)OC/C(C#N)=C1/CCCN1CC(N)=O	585666300	NAFJVUZWXDVJNK-KTKRTIGZSA-N	237.259	-0.092	50	10	BBGE	
CO[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)NN	687454438	QMTHLIZJFHBTNS-JGVFFNPUSA-N	229.280	-0.608	50	10	BBGE	
C[C@H](CN(C)CC1CN(C)C1)C(=O)NN	692717718	FZSOXZFPGKWWQY-MRVPVSSYSA-N	214.313	-0.894	50	10	BBGE	
CO[C@](C)(CCl)CNCc1nnnn1C	697757081	DHBVJMBHAFVLNZ-MRVPVSSYSA-N	233.703	-0.056	50	10	BBGE	
O=C1CC[C@H](CN2[C@H]3CC[C@H]2C(=O)OC3=O)N1	703435984	KDGHYQSSJCYVAR-CSMHCCOUSA-N	238.243	-0.819	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1CC(C(N)=O)C1	703485994	CUPTZPLRFYNVCC-MSIFESELSA-N	242.323	-0.803	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1cnccn1	704121311	BLPJRLMRXNNJNQ-RKDXNWHRSA-N	237.307	-0.077	50	10	BBGE	
O=C(CN1CC2(CNC2)C1)NNc1ccccn1	708013487	UOYSNMRCGVFPCQ-UHFFFAOYSA-N	247.302	-0.570	50	10	BBGE	
COC[C@@H](CN)NNC(=O)OC(C)(C)C	708744035	ZTYWAGJKXLRIED-SSDOTTSWSA-N	219.285	-0.011	50	10	BBGE	
CN(C)C[C@@H](CO)NC(=O)OCCl	716670493	JUMDSXMLFYTDBZ-LURJTMIESA-N	210.661	-0.169	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@@H]2CC[C@H](C1)N2C	723697485	OSVMVQYCPCOPHJ-AXFHLTTASA-N	240.351	-0.077	50	10	BBGE	
CC1=CS[CH][C@H]1C(=O)NCB(O)O	725598458	FKRAOXGSHSTVGX-ZCFIWIBFSA-N	200.048	-0.457	50	10	BBGE	
NC(=O)NN=C1CCC[S@](=O)CC1	853256296	OTXBYIPOTZFSQX-ZDUSSCGKSA-N	203.267	-0.057	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1ccn2nccc2n1	911444674	HHYHRTHVZQIEKO-MRVPVSSYSA-N	249.274	-0.313	50	10	BBGE	
CCn1nccc1S(=O)(=O)NNC(C)=O	1116673036	OCFPVWWQNBLWDM-UHFFFAOYSA-N	232.265	-0.768	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1cccnc1	1160403751	RDODMMSDUIXITM-NSHDSACASA-N	235.243	-0.220	50	10	BBGE	
C[C@]1(C(=O)NNC(=O)C2(O)CCC2)CCCO1	1324524999	VJOOOMMJZXGUQC-SNVBAGLBSA-N	242.275	-0.382	50	10	BBGE	
Cc1[nH]nc(C(=O)NNc2nc[nH]n2)c1C	1343973256	SXMQIXJLRQHTFZ-UHFFFAOYSA-N	221.224	-0.098	50	10	BBGE	
Cc1nc(O)[nH]c1C(=O)NN(C)C[C@H](C)O	1468762139	NVYXQFCNSQONHG-YFKPBYRVSA-N	228.252	-0.619	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cnc2c[nH]nc2c1	1643696240	DBWWBTWCNDSVDU-SSDOTTSWSA-N	249.274	-0.085	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@@H]1C[C@H]1Br	1877356738	VBRVFUAUDQHKRY-FSDSQADBSA-N	232.077	-0.120	50	10	BBGE	
O=S(=O)(NOCCCl)N1CCC1	1881159049	KSQIZEHZYHRSFY-UHFFFAOYSA-N	214.674	-0.303	50	10	BBGE	
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)F	1882789957	RQRHYVBPCFPVQX-RFZPGFLSSA-N	211.214	-0.523	50	10	BBGE	
CC[S@@](=O)N[C@@H]1CCC=C1B(O)O	1883501549	JXMWAZSIWCDZFK-FUXBKTLASA-N	203.072	-0.640	50	10	BBGE	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@H]1C[C@@H]1Cl	1883645244	NBIUCVPYWOKFQR-YOWKYNACSA-N	200.669	-0.052	50	10	BBGE	
N[C@@H](CC(=O)NC1CC(Cl)C1)C(=O)O	1884419202	FGWSIHHQALQWIW-WRVKLSGPSA-N	220.656	-0.326	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@@H]2NC(=O)O[C@H]2C1	1884553578	JVHSYQUSLOZWLB-ZLUOBGJFSA-N	218.640	-0.067	50	10	BBGE	
CSSCCNC(=O)[C@]1(N)C[C@@H](O)C1	1890287549	PHCVVEHNKCPMQV-WRXNHJIOSA-N	236.362	-0.034	50	10	BBGE	
OB(O)[C@H]1CCN(Cc2nncs2)C1	1891492598	OZKCRGQRPMLSNV-LURJTMIESA-N	213.071	-0.413	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@H](CO)C1	1901768312	CHGASMRIXXCKJB-UWVGGRQHSA-N	229.324	-0.151	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@H]3C[C@@H]3CO2)C1	1902505867	MMCHOVRQJNUHBU-DBIOUOCHSA-N	225.097	-0.040	50	10	BBGE	
O=c1ccn(Cc2nc(B(O)O)cs2)cc1	1902655915	CEIFKASGQOOTES-UHFFFAOYSA-N	236.061	-0.967	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C(C)C	1903343532	RSZIKROGLXYRCD-OPRDCNLKSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CC[C@H](CO)C12CC2	1909283779	KOLSPHFMGCVFCB-IVZWLZJFSA-N	239.319	-0.541	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@@]12CCOC2	1915571223	MSCKVKJPSAHLAE-KKZNHRDASA-N	225.292	-0.523	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC2(CCOC2)C1	1915584544	ZROILWRNKGQVOV-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)c1cnc[nH]1	1923410060	FLLHCDGYDVEDAI-UHFFFAOYSA-N	222.126	-0.267	50	10	BBGE	
CS(=O)(=O)C1CCC(NC(=O)NN)CC1	1928135387	WGKKLXAMMWOGJD-UHFFFAOYSA-N	235.309	-0.485	50	10	BBGE	
Cn1cc(SCCOCC(=O)NN)cn1	1928181534	NXXZIYBAALEVEU-UHFFFAOYSA-N	230.293	-0.481	50	10	BBGE	
O=C(CCl)N1C[C@]2(CO)C[C@@]2(CO)C1	1928556221	FHZLHNLDIQLAMI-IUCAKERBSA-N	219.668	-0.572	50	10	BBGE	
C[C@H]1CCO[C@H](C)CN1CCC(=O)NN	1929658960	GZQCYEXRICFBJU-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H]1CO	1929740617	KMQWQIJEISPTLW-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
CO[C@@H](C(=O)N(C)N)[C@H]1CCCOC1	1930601624	WFVDQCGGEMDFSE-JGVFFNPUSA-N	202.254	-0.240	50	10	BBGE	
CCOCCN(C)CC1(C(=O)NN)CC1	1931265796	VPQBCKWEBARSFB-UHFFFAOYSA-N	215.297	-0.275	50	10	BBGE	
C[C@H](CC(N)=O)N(C)S(=O)(=O)CCCl	1931392794	NMWPOYXBIWCMAY-ZCFIWIBFSA-N	242.728	-0.249	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2[C@H](C1)C2(F)F	1931857355	GCDCZNDSWPYXKA-RQJHMYQMSA-N	219.235	-0.047	50	10	BBGE	
O=S(=O)(CCl)N1CC(CCO)C1	1932112269	XATUDHFNJANCPB-UHFFFAOYSA-N	213.686	-0.173	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)[C@H](C)C(=O)NN	1932314274	UIRYKGQEGBSAQR-HLTSFMKQSA-N	215.297	-0.278	50	10	BBGE	
COCC(C)(C)N(C)C[C@H]1C[C@H]1C(=O)NN	1936093811	HQXJGPHAGSTLRA-RKDXNWHRSA-N	229.324	-0.031	50	10	BBGE	
C[C@@H]1COCCCN1CCOCC(=O)NN	1936532603	XQOXGNXAPMDXOP-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
COc1cc([C@H](C)NC(=O)C(=O)NN)sn1	1936560990	AQUAWVMWOGMEIJ-BYPYZUCNSA-N	244.276	-0.681	50	10	BBGE	
Cn1nnc(C(=O)N[C@H]2COC[C@H]2CCl)n1	1937177747	SQVBTIFRPODHCD-RITPCOANSA-N	245.670	-0.806	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)CC(C)(C)CO	1938121515	FSQYEZDXGZOLOW-SECBINFHSA-N	231.340	-0.049	50	10	BBGE	
COCCN(CC1(C(=O)NN)CC1)C1CC1	1938246640	KAVANQDXNZAWNJ-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3CC[C@H](C2)O3)CC1	1938247769	XCDDWDQRSGORDY-DTORHVGOSA-N	225.292	-0.380	50	10	BBGE	
COC[C@@H](Sc1cc(N)ccn1)C(=O)NN	1938849975	AFPHFVRTVCRLLG-SSDOTTSWSA-N	242.304	-0.239	50	10	BBGE	
NNC(=O)C(=O)NC[C@H]1CCCC2(CCC2)O1	1940231074	XSOYSAGOOYPMCG-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](C(=O)N(C)C)C1	1940303455	MJEOFMLYGJUJAV-DTWKUNHWSA-N	242.323	-0.835	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@@H]2COCC[C@H]21	1940344696	XZFKXKXYBSNFQT-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2C[C@@H](O)CC[C@@H]21	1940525693	TXZLYLYDZQTINO-YTWAJWBKSA-N	241.335	-0.010	50	10	BBGE	
CCCOCCCn1nc(C)c(B(O)O)c1C	1944149715	MKIGMFKWSDZEPL-UHFFFAOYSA-N	240.112	-0.004	50	10	BBGE	
NNC(=O)C1(CN2CC3(CC3)C[C@H]2CO)CC1	1949697176	MECUVGRLBQIGAL-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(CC2)C[C@H]1CO	1949698155	XQBOKBYKDXTALC-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)NCC(Cl)Cl	1953764327	DSECDQVZGFFKHA-WVZVXSGGSA-N	215.080	-0.386	50	10	BBGE	
OC[C@@H]1CN(C[C@H](O)CCl)CCO1	1954822019	IIDISCDOLGRSQZ-SFYZADRCSA-N	209.673	-0.721	50	10	BBGE	
CO[C@@H]1CC(C)(C)CC[C@@]1(N)B(O)O	1955784594	JYWMRUXXQVDORH-APPZFPTMSA-N	201.075	-0.079	50	10	BBGE	
NNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21	1961458929	WGXZSOTWCBBXET-NKWVEPMBSA-N	212.253	-0.687	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)CC[S@@]1=O	1961554607	VZONDKMOQHHTOI-KUTMEBCESA-N	233.337	-0.935	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1nc(B(O)O)cs1	1961696984	UOLCWSYYKYZSPO-RITPCOANSA-N	229.066	-0.763	50	10	BBGE	
CN1CCC[C@H]1C(=O)N1CCC(B(O)O)CC1	1964500023	GDKSKCORQUWTGQ-JTQLQIEISA-N	240.112	-0.454	50	10	BBGE	
CON([C@H]1CCOC1)[C@@H](C(=O)NN)C(C)C	1978751796	ZNCWBKDSOPBYFO-DTWKUNHWSA-N	231.296	-0.347	50	10	BBGE	
OB(O)c1cccnc1N1CC(C2CC2)C1	1981423096	YTKGKBJELBZKSC-UHFFFAOYSA-N	218.065	-0.392	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)[C@H]1C2	1983567096	INGXCQYEHYTIDR-RGOKHQFPSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	1990158704	LSIQPXFKHXTUHF-XRBOHMRVSA-N	223.276	-0.473	50	10	BBGE	
CC1(C)[C@H](O)[C@@H](O)CN1C(=O)C=CC(=O)Cl	1991650294	BGMQQGNLMCPSCZ-IMTBSYHQSA-N	247.678	-0.349	50	10	BBGE	
CN(C(=O)/C=C/C(=O)Cl)[C@]1(CN)CCOC1	1991704288	RCJREYJLEUWRGO-PBKGFPTLSA-N	246.694	-0.116	50	10	BBGE	
CO[C@H]1C[C@H](O)CN(C(=O)/C=C/C(=O)Cl)C1	1991715085	PLUPLSWZZWIILO-HZIBQTDNSA-N	247.678	-0.084	50	10	BBGE	
Cc1cccc(CNC(=O)C(=O)NN)c1F	1992384282	NGEYMAVAWMCDHU-UHFFFAOYSA-N	225.223	-0.260	50	10	BBGE	
NNC(=O)C12COC(COCC3CC3)(C1)C2	1993890230	DVUDWSVOMGFSMP-UHFFFAOYSA-N	226.276	-0.048	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]1(F)C[C@@H]1C	1995030859	CYWARMMHCKCPHY-OIBJUYFYSA-N	231.271	-0.166	50	10	BBGE	
CCNC(=O)[C@@H]1CCCN1CCCC(=O)NN	2003619401	CTSXDWZFDQYPHT-VIFPVBQESA-N	242.323	-0.643	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(n2cnnc2)C1	2003860521	PTEIJOSKTIAWIH-VIFPVBQESA-N	238.295	-0.707	50	10	BBGE	
C[C@@H]1N(c2ccc(B(O)O)cn2)CCC1(F)F	2004914880	SWYOCVYPFREYMP-ZETCQYMHSA-N	242.034	-0.005	50	10	BBGE	
CN(Cc1cnco1)c1ccncc1B(O)O	2004916356	KTVDTEFOCZOSJT-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CCCN(c1ccncc1B(O)O)C1COC1	2004917872	GDVMIDNEMUZUNZ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CC1(C)COCCN1c1ccncc1B(O)O	2004936093	UUTMFOSOVLJLTH-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1CCCN(C2CCC2)C1	2005216624	KLQXATFOBLYSRX-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC(=O)NCC1(C)C	2006924652	FAUJXXSWITXSDD-QMMMGPOBSA-N	242.323	-0.645	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)[C@H]1C[C@H]1F	2006988782	OJAOUPCZAGMVDM-VHSXEESVSA-N	237.039	-0.659	50	10	BBGE	
CO[C@@H](C)CC(=O)Nc1cc(B(O)O)ccn1	2009675349	FAWOYRLROACPRV-ZETCQYMHSA-N	238.052	-0.875	50	10	BBGE	
Cc1cc(OCc2cnn(C)n2)cc(B(O)O)c1	2049634146	DKASDQGAHBKLKU-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
Cc1ncc(B(O)O)c(N2C[C@H](C)[C@H](C)[C@H]2C)n1	2052623510	KGJMRZNCCNTPOZ-XHNCKOQMSA-N	249.123	-0.054	50	10	BBGE	
CCc1cc(F)c([N+](=O)[O-])c(B(O)O)c1	2060090967	OTFIRBIRFVYHTE-UHFFFAOYSA-N	212.973	-0.024	50	10	BBGE	
Cc1cc(C#N)cc(B(O)O)c1[N+](=O)[O-]	2060307672	LBAAQSDFCJUBKI-UHFFFAOYSA-N	205.966	-0.545	50	10	BBGE	
CCc1ccnn1CCn1cc(C(=O)NN)nn1	2063885263	WGVHNHFKCOUBGV-UHFFFAOYSA-N	249.278	-0.659	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@@H]2COCC[C@H]21	2073044461	WYVKANPGXXQCQV-MWLCHTKSSA-N	248.091	-0.705	50	10	BBGE	
OB(O)c1ccnc(NN2CCCCC2)c1	2212600980	GWKPMQFXXUZQJG-UHFFFAOYSA-N	221.069	-0.426	50	10	BBGE	
Cc1cnc(NC[C@H]2C[C@@H]2F)cc1B(O)O	2212603846	JUAHJGSMAJSSRJ-APPZFPTMSA-N	224.044	-0.160	50	10	BBGE	
Cc1ncnc(OC[C@@]2(F)C[C@H]2C)c1B(O)O	2214487450	ARRHSBWNOPBXTH-LDWIPMOCSA-N	240.043	-0.408	50	10	BBGE	
N#C[C@@H]1CN(CC2(C(=O)NN)CCC2)CCO1	2216528679	SARCLIGBWBQVSE-SECBINFHSA-N	238.291	-0.629	50	10	BBGE	
Cc1nc(C)n(-c2cc(B(O)O)c(C)cn2)n1	2217161258	BOSDJONAVUHPCF-UHFFFAOYSA-N	232.052	-0.733	50	10	BBGE	
Cc1cnc(O[C@H]2COC[C@H]2C)cc1B(O)O	2217171932	HASIUOFYIDXKAQ-SCZZXKLOSA-N	237.064	-0.516	50	10	BBGE	
Cc1ncncc1Nc1ncccc1B(O)O	2217183220	JXWHQONUJVLQMF-UHFFFAOYSA-N	230.036	-0.397	50	10	BBGE	
Cc1cnc(OC2CCOCC2)cc1B(O)O	2217183974	PFCTWDIGTRSWQN-UHFFFAOYSA-N	237.064	-0.372	50	10	BBGE	
COCCCCOc1nccc(B(O)O)c1F	2217193488	NICZLTBRYYPRMF-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C[C@H]2CC[C@H]1O2	2217205315	XDBBZKAZLBOKED-FKTZTGRPSA-N	234.064	-0.507	50	10	BBGE	
OB(O)c1cccc(CN2C[C@@H]3C[C@H](CN3)C2)c1	2220056155	BQLLKIPHHXLRFR-YPMHNXCESA-N	246.119	-0.840	50	10	BBGE	
C[C@@]1(N)CCCN(Cc2cccc(B(O)O)c2)C1	2220068331	NYQAYBCRLITRAY-CYBMUJFWSA-N	248.135	-0.320	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(OC2C[C@@H]3C[C@H]3C2)n1	2222685994	CVDSAGIYZMXOAZ-IUCAKERBSA-N	248.091	-0.049	50	10	BBGE	
C#C[C@@H](C1CCC1)N(C)c1cc(B(O)O)ccn1	2223634414	KMUKNFYSEGPENR-LBPRGKRZSA-N	244.103	-0.001	50	10	BBGE	
Cc1cnc(N[C@@H]2C[C@H]3COC[C@H]32)cc1B(O)O	2223653064	NTJHNYBLPVLPIL-IQJOONFLSA-N	248.091	-0.483	50	10	BBGE	
CCc1nn(C)cc1Nc1ncccc1B(O)O	2223668403	ZBPMSYLZQWBTAM-UHFFFAOYSA-N	246.079	-0.199	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@@H]1[C@H]2CCCC[C@H]21	2224031613	QLOYGMHPFSCTTF-URLYPYJESA-N	248.091	-0.641	50	10	BBGE	
CSSCCNC(=O)[C@H]1C[C@@H]1B(O)O	2241479912	GOGCMAIWAYDXBF-WDSKDSINSA-N	235.139	-0.023	50	10	BBGE	
NC(=S)CS(=O)(=O)N[C@H]1C[C@H](Cl)C1	2241667199	DWGSMMSFBGKCAR-URHBZAFASA-N	242.753	-0.038	50	10	BBGE	
CC=C1CN(C(=O)c2nscc2B(O)O)C1	2243347149	HWLTTWCWXDARMU-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CN(C(=O)c1nscc1B(O)O)C1CCC1	2243347894	ROZLDYKAVNBBTE-UHFFFAOYSA-N	240.093	-0.553	50	10	BBGE	
O=C(NCCCCF)c1sccc1B(O)O	2243374592	HDWMODNTPKWMMT-UHFFFAOYSA-N	245.084	-0.093	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)cs2)C1	2243378127	MYTTZCADFWBRQR-UHFFFAOYSA-N	237.089	-0.170	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)cs1	2243385960	RTQFXSFBYGBYIZ-POYBYMJQSA-N	239.105	-0.044	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCn2ccnc21	2243395904	DQLLQJYJUQLICT-RQJHMYQMSA-N	221.025	-0.907	50	10	BBGE	
CCNC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243396040	GJTPNTWCRXCBCW-ZKCHVHJHSA-N	226.085	-0.940	50	10	BBGE	
NC[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243397034	UOKLHFOTOYZOPA-CIUDSAMLSA-N	226.085	-0.953	50	10	BBGE	
CCONC(=O)c1cc(C)ccc1B(O)O	2243399320	YVSBUFBCLZJHHX-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
O=C(NCCOC1CCC1)[C@H]1C[C@@H]1B(O)O	2243399343	ZBQQYPKYZDBMNB-IUCAKERBSA-N	227.069	-0.465	50	10	BBGE	
Cc1ccnc(CNC(=O)C#CB(O)O)c1	2243401921	ZEBNWSOUXYRMAP-UHFFFAOYSA-N	218.021	-0.978	50	10	BBGE	
CC(C)(F)CNC(=O)c1ccoc1B(O)O	2243407628	WGQUGAFBEIFWJK-UHFFFAOYSA-N	229.016	-0.563	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2C[C@H]2C)sc1B(O)O	2243409513	JKOUDDBVOYHMBN-VDTYLAMSSA-N	239.105	-0.125	50	10	BBGE	
C=C(CS(=O)(=O)NC[C@H](C)C1CC1)B(O)O	2243413097	ZPDWYRPKJDCPHK-ZETCQYMHSA-N	247.125	-0.480	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)CCN1	2243417472	TYKUNURFFULEMC-AFPNSQJFSA-N	226.085	-0.940	50	10	BBGE	
C=C(CS(=O)(=O)N1CC2(CCC2)C1)B(O)O	2243420235	OYQYOXVXFIBMFV-UHFFFAOYSA-N	245.109	-0.630	50	10	BBGE	
C#CCN(CC=C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2243426662	JYWZCSMLGUHOEO-AOOOYVTPSA-N	221.065	-0.113	50	10	BBGE	
CCONC(=O)Nc1ccccc1B(O)O	2243452234	JKRXIFGOUPPQMI-UHFFFAOYSA-N	224.025	-0.561	50	10	BBGE	
CO[C@H](C(=O)NCCC#CB(O)O)C(C)C	2244550578	SQNMGMXXLYRHNQ-VIFPVBQESA-N	227.069	-0.821	50	10	BBGE	
COc1nn(C)cc1[C@@H]1C(=O)NC(=O)[C@H]1Cl	2244592158	SRZRAAYTWNILNG-WDSKDSINSA-N	243.650	-0.224	50	10	BBGE	
Cc1nsc(CN(C)C[C@@H](C)C(=O)NN)n1	2245050452	ZYYLNMBLYXVYSF-ZCFIWIBFSA-N	243.336	-0.096	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)C1(B(O)O)CCC1	2247734919	WCYPXNZYPVWHLN-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)o1	2247739968	DMZWLWUWJVBTPH-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
CCN1CC[C@@H](N(C)C(=O)C2(B(O)O)CC2)C1	2247753505	HUVKOJHVBGSOKW-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(N[C@@]12CCNC[C@@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247786882	IAMLPYKHEPCOPK-WYOJIJJFSA-N	238.096	-0.892	50	10	BBGE	
O=C(NCc1cccc(O)n1)[C@H]1C[C@H]1B(O)O	2247792740	UUDQZGOSGPSCEC-JGVFFNPUSA-N	236.036	-0.734	50	10	BBGE	
CN(C(=O)C1CC(B(O)O)C1)[C@@H]1CCC[C@@H]1O	2247810753	ZWMGPZDBCYSDJZ-BMNUFHGDSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1C[C@H](N)CCN1C(=O)C1(B(O)O)CCC1	2247877894	KBDRLQUDLXKCQP-DTWKUNHWSA-N	240.112	-0.278	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1occc1B(O)O	2247879120	QYDSCGAXXRRKMM-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
C[C@@H]1C[C@]1(F)CNC(=O)c1occc1B(O)O	2247879753	XKJSOVMJGLRKKR-LDWIPMOCSA-N	241.027	-0.563	50	10	BBGE	
Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)oc1B(O)O	2247890369	LGILFFCAFJUQEL-HTQZYQBOSA-N	237.064	-0.252	50	10	BBGE	
CN1CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]2C[C@H]21	2247895369	RKJAZZNWQRVKHR-UTINFBMNSA-N	238.096	-0.846	50	10	BBGE	
NCC12CC(CN1C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2247900003	SBOQTTSUUBDXLV-RDDJWAPESA-N	238.096	-0.811	50	10	BBGE	
O=C(NC1(CCCO)CC1)C1CC(B(O)O)C1	2247909376	JDHWHWLBJXSVMS-UHFFFAOYSA-N	241.096	-0.339	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)N[C@H]1C[C@H]1F	2247972827	SFOOYTBDURLHRU-BDAKNGLRSA-N	238.027	-0.402	50	10	BBGE	
O=C(O)[C@@H]1CCCCN1C(=O)C1(B(O)O)CC1	2248585401	KQGZCQHSSMXCGH-ZETCQYMHSA-N	241.052	-0.541	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CCCCCC1	2249416071	MPSXRLDLCSAVFF-UHFFFAOYSA-N	237.064	-0.024	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2cncc2C1	2249739582	VGIGATRZMLVNKE-VIFPVBQESA-N	237.307	-0.143	50	10	BBGE	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NCCC#CB(O)O	2249999490	WKBIVNBUDYIKMH-OUAUKWLOSA-N	235.092	-0.056	50	10	BBGE	
C[C@@H]1N(C(=O)C#CB(O)O)C[C@@H](C)OC1(C)C	2250473045	PZWTVNPNRXFVDJ-BDAKNGLRSA-N	239.080	-0.584	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1coc(B(O)O)c1	2255460579	VWZKEINEEBXHEI-QXFUBDJGSA-N	249.075	-0.122	50	10	BBGE	
N[C@H](CCNC(=O)C#CB(O)O)c1ccccc1	2255465521	LNNPCBOCDLCYBC-LLVKDONJSA-N	246.075	-0.792	50	10	BBGE	
C[C@@]1(C#N)CCN(C(=O)c2ccc(B(O)O)o2)C1	2255466006	RTRPULFGXDVNQU-NSHDSACASA-N	248.047	-0.665	50	10	BBGE	
CN(C(=O)c1ccc(B(O)O)cn1)[C@H]1CC1(C)C	2255713661	FOPFSPXRZHDAOA-JTQLQIEISA-N	248.091	-0.368	50	10	BBGE	
Cc1ncc(NC(=O)c2ccoc2B(O)O)cn1	2255717857	PSJYQXNUTXJLFZ-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@@H](NC(=O)c1ccc(B(O)O)cn1)C1CCC1	2255718017	SHXBMFMSQGRSDE-MRVPVSSYSA-N	248.091	-0.320	50	10	BBGE	
O=C(NC1[C@H]2CCCC[C@H]12)c1occc1B(O)O	2255738427	SOCGEWZMLAKICG-YUMQZZPRSA-N	249.075	-0.122	50	10	BBGE	
C=CC1(NC(=O)c2c(B(O)O)cnn2CC)CC1	2255776905	ULZCVXWPFPRQRQ-UHFFFAOYSA-N	249.079	-0.969	50	10	BBGE	
C[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1O	2256016627	LEDLHHDXBPRSMR-QMMMGPOBSA-N	249.075	-0.304	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2CC[C@H]21)c1cocc1B(O)O	2258132246	FURLDFPLBSVPEH-VAOFZXAKSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C(=O)N1C	2298165994	LLSMJPYRWQAYDS-XHNCKOQMSA-N	240.307	-0.242	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)[C@H]1C[C@@H](B(O)O)C1	2298369233	NJSTVLBCUKNOSJ-BECAKDQMSA-N	241.096	-0.483	50	10	BBGE	
CC(C)C[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371107	ADGRLWYLLGVTOC-OPRDCNLKSA-N	243.112	-0.380	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@@H]2CC(O)C[C@H]2C1	2298377142	GHTNPODTDLUTGJ-AKEJEFCPSA-N	239.080	-0.921	50	10	BBGE	
CC(C)=C(CN(C)Cc1cnn(C)n1)B(O)O	2301850573	LYBYUJRUZLZNQT-UHFFFAOYSA-N	238.100	-0.405	50	10	BBGE	
CN(C[C@H]1CCO1)c1nccc(B(O)O)c1F	2302384395	ZZVXDIVOBAFSQG-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
CC(C)[C@@H](CO)N(C)C[C@H]1CC[C@@H]1C(=O)NN	2302496418	KUYPOEFABJCCOS-OUAUKWLOSA-N	243.351	-0.049	50	10	BBGE	
C#CCCCCN=c1cc(B(O)O)c(F)c[nH]1	2303835533	YHFTWZMTZMNADU-UHFFFAOYSA-N	236.055	-0.462	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@H]2CF)[nH]cc1F	2303836651	PCCGOOOMFSXQIU-NKWVEPMBSA-N	242.034	-0.660	50	10	BBGE	
C[C@H](CN)CCOc1ccc(B(O)O)cc1C#N	2317160234	BHAYLDAJFZTBES-VIFPVBQESA-N	248.091	-0.398	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OC[C@@H]1CC[C@@H]1N	2317205691	HRAUFBCAUBNNAF-KWQFWETISA-N	246.075	-0.646	50	10	BBGE	
C[C@@H](Br)C(=O)NCCOCCO	41693447	DHSYKMCMWGROME-ZCFIWIBFSA-N	240.097	-0.105	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H](CCO)C1	51896691	ZRQRQPHCLGETLC-SNVBAGLBSA-N	243.307	-0.752	50	10	BBGE	
CCCC(=O)NCC(=O)NNC(=O)NC(C)C	63265713	STWLVIBBJSVYIU-UHFFFAOYSA-N	244.295	-0.359	50	10	BBGE	
NNC(=O)NCC(=O)N1CCCCC1	161683624	GBHGQZZAMLAEBT-UHFFFAOYSA-N	200.242	-0.828	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC[C@@H](C)[C@@H](O)C1	230357156	MMVWAWUOPUKDFY-UTLUCORTSA-N	229.324	-0.152	50	10	BBGE	
CC[C@@H]1CO[C@H](C)CN1[C@@H](COC)C(=O)NN	232419994	CNLYXVCISQOAPB-BBBLOLIVSA-N	245.323	-0.509	50	10	BBGE	
CCc1ncc(C(=O)OC)cc1B(O)O	238282172	MVXZQMFGEXLWBX-UHFFFAOYSA-N	209.010	-0.890	50	10	BBGE	
CO[C@H]1COCC[C@@]12CC(=O)OC2=O	306323654	MLUHEPWWSMKJSB-IMTBSYHQSA-N	200.190	-0.118	50	10	BBGE	
Cn1ncc(CNC(=O)CBr)n1	307488442	WOMNABKQPGIMMC-UHFFFAOYSA-N	233.069	-0.174	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@](C)(CO)C1	381358042	JMNRYGZFSXJQKV-ONGXEEELSA-N	229.324	-0.151	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN2CC[C@H]1C2	381786191	MILUEDHPQGYKES-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(CC(N)=O)C1	382209115	OGLUJKOSHZGHEE-SSDOTTSWSA-N	201.657	-0.075	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1ccc(C(=O)NN)o1	385027253	ZJLFALNBACCPQR-SFYZADRCSA-N	239.275	-0.162	50	10	BBGE	
CC(C)C1(O)CN([C@@H](C)[C@H](C)C(=O)NN)C1	394906060	JQUQSUUBLDTMKZ-IUCAKERBSA-N	229.324	-0.296	50	10	BBGE	
CC(=O)Cc1ccc(/C=C/C(=O)O)cc1B(O)O	396137228	LASCQKRIPCUSOB-HWKANZROSA-N	248.043	-0.404	50	10	BBGE	
C[C@H](CC(=O)NN)SCCC(N)=O	399152084	GRBNKCQFGRUZPT-RXMQYKEDSA-N	205.283	-0.637	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H](O)CC[C@@H]1C	399397664	FHBZMYQLKROENU-LPEHRKFASA-N	229.324	-0.010	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H](C)C[S@@](C)=O	400003003	ZNSGNBUHLKDCBJ-KDZIRCDLSA-N	235.353	-0.546	50	10	BBGE	
CC[S@@](=O)N(C)Cc1cc(B(O)O)cs1	404890858	YEFUPILCQDUIBQ-OAHLLOKOSA-N	247.150	-0.457	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cc1	404988208	XVBWLBKAYYCOGE-GMSGAONNSA-N	219.049	-0.039	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)C1[C@@H]2CCC[C@@H]12	404996940	HGCYUFAXKDDNGN-RKDXNWHRSA-N	246.075	-0.254	50	10	BBGE	
CCCNC(=O)Nc1cccc(B(O)O)n1	405177817	CWBRJMSTEHCOTK-UHFFFAOYSA-N	223.041	-0.707	50	10	BBGE	
O=C(/C=C/c1cnccn1)NNC(=O)NC1CC1	491262397	NUEVMINMJMTEQP-ONEGZZNKSA-N	247.258	-0.017	50	10	BBGE	
Cc1ccc(/C=C\C(=O)NNC(=O)CO)o1	492498780	DSSGBAWPVMUVRF-PLNGDYQASA-N	224.216	-0.259	50	10	BBGE	
CCOCCOCC(F)(F)C(=O)NN	685956398	CVVFHTSKNZQOOO-UHFFFAOYSA-N	212.196	-0.335	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)CCNS(C)(=O)=O	689650719	OPJQEKJKHXIUNK-LURJTMIESA-N	242.728	-0.379	50	10	BBGE	
CCC[C@H](OC[C@H](COC)OC)C(=O)NN	695707474	DVVCGNDNSNNDCG-IUCAKERBSA-N	234.296	-0.177	50	10	BBGE	
C[C@H]1CN(C)C[C@@H](CN2CC(=O)OC(=O)C2)O1	697272042	GMERTMFUGWYEJZ-IUCAKERBSA-N	242.275	-0.909	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCN(C)C[C@H](C)C1	707565392	SLUOBHKAPFYCNI-WDEREUQCSA-N	242.367	-0.116	50	10	BBGE	
C[C@@H]1CN(CCC(C)(C)C(=O)NN)C[C@@H]1CO	708131640	VTBKTJIUIMMYKP-NXEZZACHSA-N	243.351	-0.047	50	10	BBGE	
CC1(C)CO[C@H](CC(=O)NNC(N)=O)C1	716998037	FOGHETYMOHLYFQ-ZCFIWIBFSA-N	215.253	-0.109	50	10	BBGE	
C[N+]1=c2cc([S@@+]([O])(=O)Cl)ccc2=NC1	725593500	UWYKCZPFBVOUGW-UHFFFAOYSA-N	231.684	-0.244	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CCOCC1CC1	768244770	NLBGBNODIJMNPU-UHFFFAOYSA-N	244.291	-0.279	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N[C@@](C)(CO)COC	768456645	QZMONCHZNZNSPJ-WDDYJBPVSA-N	242.275	-0.056	50	10	BBGE	
CN(C)CC(=O)NNC(=O)[C@H]1CCCOCC1	787887632	YXPQPPAVONYMIT-VIFPVBQESA-N	243.307	-0.488	50	10	BBGE	
NC(=O)C(=O)NN=C1COC2(CCC2)C1	853260249	LESGUZIPVQARBB-UHFFFAOYSA-N	211.221	-0.713	50	10	BBGE	
CC(=O)N1CCC[C@H]1C(=O)NNc1cccnn1	867355513	DJCFSYZYICHNFL-VIFPVBQESA-N	249.274	-0.069	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1CN(C)C[C@H](C)O1	910139939	VBUGXKPKVNOTQN-GUBZILKMSA-N	245.323	-0.951	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)c1n[nH]cc1F	910182103	HYPFYYKAMPOAOE-RXMQYKEDSA-N	216.216	-0.494	50	10	BBGE	
CCc1cnc(CC(=O)NN(C)C(N)=O)[nH]1	1137624486	YMGPPKLLFASSJR-UHFFFAOYSA-N	225.252	-0.444	50	10	BBGE	
CN(C)C(=O)NNC(=O)/C=C\[C@@H]1CCOC1	1292257776	JGQDYPIVSYFKHM-TUUFMJSCSA-N	227.264	-0.119	50	10	BBGE	
C=CCONC(=O)c1cccc(B(O)O)c1	1468107305	IJFOTGBYMMSTTG-UHFFFAOYSA-N	221.021	-0.786	50	10	BBGE	
C#Cc1ccc(C(=O)NNc2nc[nH]n2)nc1	1558992011	JXOYPNSUFRWDDR-UHFFFAOYSA-N	228.215	-0.062	50	10	BBGE	
Cc1nn(CC(=O)NNc2ccccn2)c(=O)o1	1624435961	MXDYYOXKSBERBF-UHFFFAOYSA-N	249.230	-0.317	50	10	BBGE	
N#CC1=CCN(C(=O)C2(O)COC2)CC1	1630798877	ILWWWIOVZIATMD-UHFFFAOYSA-N	208.217	-0.570	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1cnn[nH]1	1635285971	SCFVWRGUDJMQLE-SREVYHEPSA-N	221.220	-0.135	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Br)N1CCNNCC1	1883538228	RPZBNMDQRQCCDO-RQJHMYQMSA-N	248.124	-0.294	50	10	BBGE	
O=C(O)[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Cl	1883634402	JTCWAXVWZOFQJO-WISUUJSJSA-N	207.613	-0.825	50	10	BBGE	
CC(C)N1CCN(CC(=O)NN)C1=O	1888403082	URHKJAXXLMYPGQ-UHFFFAOYSA-N	200.242	-0.878	50	10	BBGE	
C[C@@H](S)[C@H](C)C(=O)NN(C)S(C)(=O)=O	1888555158	VJDYUCVBMCRTQU-NTSWFWBYSA-N	240.350	-0.137	50	10	BBGE	
C=C(CN1CC[S@@](=O)C[C@@H]1C)B(O)O	1895097333	OPEJZWBDPQHSPP-RMLUDKJBSA-N	217.099	-0.993	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@@H]2COC[C@@H]21	1897219481	OBSRUQFWYFNZIN-JGVFFNPUSA-N	245.662	-0.066	50	10	BBGE	
C[C@@H]1CN(C(=O)C2CC(B(O)O)C2)C[C@H]1O	1898821293	FIBCTBBNNXAAAB-MDVIFZSFSA-N	227.069	-0.921	50	10	BBGE	
C#C[C@@H](C)Nc1ccc(B(O)O)cc1C#N	1901201533	DCVXGXHZMGVPDH-MRVPVSSYSA-N	214.033	-0.328	50	10	BBGE	
CC[C@@H]1CN[C@H](C(=O)NN(C)S(C)(=O)=O)C1	1901339424	NTEWPVCAUNJFNL-YUMQZZPRSA-N	249.336	-0.703	50	10	BBGE	
CC(C)=C(CN1CCN(C)[C@@H](C)C1)B(O)O	1901703204	OHHSISNOAOMFKU-JTQLQIEISA-N	226.129	-0.029	50	10	BBGE	
CC[C@](C)(CN1CC2(CCO2)C1)C(=O)NN	1902716012	NECGKKQQECYXCW-SNVBAGLBSA-N	227.308	-0.133	50	10	BBGE	
O=Cc1ccc(N2CCSC2)cc1B(O)O	1902746230	LNXKCBFHKYWHNI-UHFFFAOYSA-N	237.089	-0.310	50	10	BBGE	
CC(C)(CO)Nc1cc(B(O)O)c(F)cn1	1903004978	AORBELMFXVUOCN-UHFFFAOYSA-N	228.032	-0.917	50	10	BBGE	
CC[C@@H](C)NC(=O)Nc1ncccc1B(O)O	1913669742	RVOAWVZAAHREOU-SSDOTTSWSA-N	237.068	-0.319	50	10	BBGE	
NC(=O)N1CC(NC(=O)CCCl)C1	1917785707	VKUNBZIOHGIWRH-UHFFFAOYSA-N	205.645	-0.506	50	10	BBGE	
O=C(NN=C1CCS(=O)(=O)C1)C(F)(F)F	1923407942	MCQOILHZUKCVPT-UHFFFAOYSA-N	244.194	-0.161	50	10	BBGE	
C[C@@H](CC(=O)NN)SCCNCCN	1923474852	GOWZHUNKRDREOQ-ZETCQYMHSA-N	220.342	-0.964	50	10	BBGE	
N[C@H](B(O)O)c1ccc2c(c1)OCCO2	1927763449	WCXLRLNXJVCUQC-VIFPVBQESA-N	209.010	-0.530	50	10	BBGE	
C=C(CCl)CN1CCOC[C@@H]1[C@@H](O)CO	1928574227	TUCPNOYUISUHTB-ZJUUUORDSA-N	235.711	-0.165	50	10	BBGE	
NNC(=O)C(=O)NC1(C(F)(F)F)CCC1	1928790566	YSOKBOGMDCDAGW-UHFFFAOYSA-N	225.170	-0.423	50	10	BBGE	
Cc1nc(-n2nnnc2CCl)nn1C	1929098479	JWWOMUUOIWZALC-UHFFFAOYSA-N	213.632	-0.162	50	10	BBGE	
COC[C@@H](CC(=O)O)NC(=O)NN(C)C	1929877386	NOEFWGIWQIKZAS-ZCFIWIBFSA-N	219.241	-0.748	50	10	BBGE	
NNC(=O)C1(CN2CC3(CSC3)C2)CC1	1931260204	HPMMVMZFECMXFP-UHFFFAOYSA-N	227.333	-0.195	50	10	BBGE	
CN1CCC(CC(=O)NNCCO)CC1	1931367989	NWTNDBYDJGGWNV-UHFFFAOYSA-N	215.297	-0.669	50	10	BBGE	
NNC(=O)CCN1CC[C@@H]2[C@@H](C1)C2(F)F	1931857354	GCDCZNDSWPYXKA-RNFRBKRXSA-N	219.235	-0.047	50	10	BBGE	
CN(CCCCCO)C[C@@H]1C[C@H]1C(=O)NN	1936090609	ZWEVEOQSVWFZKF-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
COCC(COC)OC[C@@H]1C[C@@H]1C(=O)NN	1936093179	BLDYUOOSWYKKQK-CBAPKCEASA-N	232.280	-0.710	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)Cn1cncn1	1937141892	ZKENQSYAWGDQQU-LURJTMIESA-N	246.654	-0.825	50	10	BBGE	
CO[C@@H](C(=O)NNCCO)[C@H]1CCCOC1	1937613560	CTFUZWPGBKOQLS-DTWKUNHWSA-N	232.280	-0.959	50	10	BBGE	
C[C@@H]1CCO[C@H]1CCN(C)C(=O)C(=O)NN	1940003431	PXKVTPSKBPOVQZ-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCN(C2CC2)CC1	1941083182	NOPZMVMUECVVKU-GXSJLCMTSA-N	238.335	-0.608	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H]2[C@@H](C1=O)C2(F)F	1941092868	CMYOYDFTKKZQPK-WNJXEPBRSA-N	245.229	-0.664	50	10	BBGE	
CC[C@@]1(C)COCCN1CCOCC(=O)NN	1941772745	NHMXJVNXTAPGSC-NSHDSACASA-N	245.323	-0.506	50	10	BBGE	
CCN(CCOc1cccc(B(O)O)c1)OC	1942620205	WPQCYIGLRZYSRP-UHFFFAOYSA-N	239.080	-0.372	50	10	BBGE	
C[C@H]1CN(C)CCCN1CC1(C(=O)NN)CC1	1945883099	UGMCKXZKWDNWRC-JTQLQIEISA-N	240.351	-0.218	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H]2OCCO[C@@H]2C1	1946396820	KNQVBHAWCBPZHE-OPRDCNLKSA-N	243.307	-0.755	50	10	BBGE	
Cc1nn(C[C@@H]2OCC[C@@H]2C)c(C)c1B(O)O	1947085450	AKMWYFIVBMZEOC-XVKPBYJWSA-N	238.096	-0.395	50	10	BBGE	
CN(C)C[C@@H]1COCCN1CCCC(=O)NN	1947727898	KHTPVHOCKBPJMQ-SNVBAGLBSA-N	244.339	-0.981	50	10	BBGE	
N#C[C@H](O)[C@H](N)[C@@H](O)Cc1ccccc1	1952903684	GIUXOWHDQGOIIY-GARJFASQSA-N	206.245	-0.198	50	10	BBGE	
COc1ccnc(OC)c1[C@H](N)[C@@H](O)C#N	1953056898	GNWSYEKBRYKHMO-IMTBSYHQSA-N	223.232	-0.017	50	10	BBGE	
N#CC1CN(C(=O)NC(=O)CCl)C1	1954791275	MDOGRTDPVWDWAV-UHFFFAOYSA-N	201.613	-0.083	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](C)[C@H](C)C(=O)NN	1959516434	GNWZPUGMQCAPRQ-CIUDSAMLSA-N	217.313	-0.296	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCC[C@H](CO)C1	1979229799	GCQZEBSNPMGADI-GUBZILKMSA-N	227.308	-0.683	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](CF)C2)nc1	1981413682	JNICCNCOLGCHAR-MRVPVSSYSA-N	224.044	-0.443	50	10	BBGE	
NNC(=O)CCN1C[C@@H](O)C2(CCCC2)C1	1982145554	NCXITCQEUCUFQO-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
NNC(=O)CCN1C[C@@H](C(F)(F)F)CC1=O	1982225745	CMSCKFMYSVQGGQ-YFKPBYRVSA-N	239.197	-0.223	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC=C[C@H]1CO	1983180986	JWTQZZWXTCLDKI-DTWKUNHWSA-N	227.308	-0.376	50	10	BBGE	
NC(=O)C1(CN=c2[nH]nc(CCCl)o2)CC1	1983761809	TYDRAPNBJMPDMW-UHFFFAOYSA-N	244.682	-0.050	50	10	BBGE	
CN(C)NC(=O)N[C@@](C)(C(=O)O)C(C)(C)O	1984075362	IJOLUSXRUSYUQU-VIFPVBQESA-N	233.268	-0.624	50	10	BBGE	
NN=c1cnc(C(=O)NC[C@@H]2C[C@@H]2Cl)c[nH]1	1991432921	NMVBDBDOAFCMGK-WDSKDSINSA-N	241.682	-0.459	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCC[C@@](F)(CO)C1	1995937484	LCFNKDNVTCGKQS-KKZNHRDASA-N	245.298	-0.591	50	10	BBGE	
Cc1nccn1CCN(C)C[C@H](C)C(=O)NN	1997479269	NPVHZYPGABOUHF-VIFPVBQESA-N	239.323	-0.251	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@H](C1)N(C)C2	1997868416	OWOYYRNZALESFR-NAKRPEOUSA-N	240.351	-0.363	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)OC1CCCC1	1998129738	APVWUWAFXMJWIY-SSDOTTSWSA-N	245.040	-0.419	50	10	BBGE	
Cc1cocc1C(=O)N[C@H](CB(O)O)C(=O)O	1998132478	GMAQNTBEEZRANZ-SSDOTTSWSA-N	241.008	-0.756	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@@H]2C[C@@H]2C1	2000208303	DHDAHARAJKGRQU-CHWFTXMASA-N	241.335	-0.031	50	10	BBGE	
C[C@@]1(C(=O)N[C@H](CB(O)O)C(=O)O)C=CCC1	2003321831	AUPPTLYWSKMAON-GMSGAONNSA-N	241.052	-0.615	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@H]1CCCOC1	2004935940	SBVBGWDFSIKSFV-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
COc1nc(N2CC[C@H](C)C2)ncc1B(O)O	2005014185	HVRWXSLCFMWMIG-ZETCQYMHSA-N	237.068	-0.989	50	10	BBGE	
CC(C)(CN1C[C@@H]2[C@H](CO)C[C@H]2C1)C(=O)NN	2005993125	ZQSCVSSVSLIYOG-GUBZILKMSA-N	241.335	-0.437	50	10	BBGE	
COCCCCCn1cccc(B(O)O)c1=O	2008845050	WGVXOPTUGBCLOB-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
CN1CCN(CCC(F)(F)C(=O)NN)[C@H]2C[C@H]21	2008867855	SHTNQCAPAZUQSF-SFYZADRCSA-N	248.277	-0.610	50	10	BBGE	
CC(C)[C@@H]1CNC(=O)CN1C[C@@H](C)C(=O)NN	2010572799	YWDXYNBDEWKSFD-BDAKNGLRSA-N	242.323	-0.931	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@@]1(OC)CCOC1	2013413123	FWHQBXDKANEICS-ONGXEEELSA-N	245.323	-0.508	50	10	BBGE	
COC1(CN(C)CC(=O)NNC(C)=O)CCC1	2019214066	YTOYSWCZGSXPLP-UHFFFAOYSA-N	243.307	-0.345	50	10	BBGE	
Cc1nc(O[C@@H]2CC[C@H]3C[C@H]32)ncc1B(O)O	2026071214	UIUPSOGJIDYREY-QXFUBDJGSA-N	234.064	-0.358	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2CC23CC(N)C3)CC1	2039768475	NEBMTZYMQRVPSS-YZRBJQDESA-N	249.314	-0.009	50	10	BBGE	
NNC(=O)c1ccc(CN2CCO[C@@H]3C[C@@H]32)nc1	2051854129	PPUMAEFTCCOHNE-WDEREUQCSA-N	248.286	-0.342	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCCC[C@H]21	2052468392	CFQHMVCPTNGDPA-MWLCHTKSSA-N	247.107	-0.075	50	10	BBGE	
Cc1ccnc(N2C[C@H]3CCO[C@H]3C2)c1B(O)O	2052473869	XVSISPIQFXAVGD-ZJUUUORDSA-N	248.091	-0.705	50	10	BBGE	
C[C@@H]1[C@@H](N(C)C)CCN1c1ncccc1B(O)O	2052491258	JXAXAZIJFGSTPN-KOLCDFICSA-N	249.123	-0.710	50	10	BBGE	
CCOc1ccc(B(O)O)c(F)c1C#N	2060170977	VBNVIBYWDBAYSI-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
COc1c(OC(F)F)ccc(B(O)O)c1OC	2060185701	WEUAGWBPNNTWSG-UHFFFAOYSA-N	247.990	-0.015	50	10	BBGE	
O[C@H](CCl)CN1C[C@H](O)C[C@@H](F)C1	2209179040	NSJXBACJFIBJRH-BWZBUEFSSA-N	211.664	-0.009	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1C[C@@H](C)C(=O)NN	2211252335	YEJWQPVCCOIGKI-IMSYWVGJSA-N	229.324	-0.296	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CC1(C)C	2212610712	NVRZMHJOOWNDDR-SECBINFHSA-N	220.081	-0.004	50	10	BBGE	
C[C@@H]1COC[C@H]1Nc1ncccc1B(O)O	2212612058	HRTLVSYRHZAYAZ-VXNVDRBHSA-N	222.053	-0.792	50	10	BBGE	
C=C[C@]1(O)CCN(C[C@H]2CC[C@H]2C(=O)NN)C1	2215770859	DZCJVOZOFYOGMM-FOGDFJRCSA-N	239.319	-0.375	50	10	BBGE	
C[C@@H]1COCCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1	2215773450	SPXWSIVSQZXLBQ-DCAQKATOSA-N	241.335	-0.029	50	10	BBGE	
CN(C[C@H](F)C1CCOCC1)C(=O)C(=O)NN	2216387121	RJLRYMOJYCXHIN-QMMMGPOBSA-N	247.270	-0.801	50	10	BBGE	
C[C@H](CN=c1ccc(B(O)O)c[nH]1)C(C)(F)F	2217174411	YUNCYANYERWNGR-SSDOTTSWSA-N	244.050	-0.114	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)[C@@H]1CCNC1	2217184323	OMLSCYGBIXIIRN-DTWKUNHWSA-N	235.096	-0.829	50	10	BBGE	
C[C@]1(CCNc2ncccc2B(O)O)CCN1	2217195125	FXMIXQGIVFFGAH-NSHDSACASA-N	235.096	-0.685	50	10	BBGE	
C=CCN(CCOC)c1cc(B(O)O)ccn1	2217205157	UQMDHXSJEACQSR-UHFFFAOYSA-N	236.080	-0.600	50	10	BBGE	
OCC[C@@H](Nc1cc(B(O)O)ccn1)C1CC1	2217205423	YSUPNYDDRZPWOA-SNVBAGLBSA-N	236.080	-0.666	50	10	BBGE	
C[C@]1(CO)CCCN1Cc1cccc(B(O)O)c1	2220074564	ZVZYMGXKVVFQDD-CYBMUJFWSA-N	249.119	-0.287	50	10	BBGE	
O=C(Nc1ncc(B(O)O)cn1)[C@@H]1C=CCCC1	2220139544	BHTRDYHIRLOHJT-MRVPVSSYSA-N	247.063	-0.549	50	10	BBGE	
Cc1ncnc(N(C)C2C[C@H]3C[C@@H]3C2)c1B(O)O	2222774328	QDQDDHBVKJIRGG-RKDXNWHRSA-N	247.107	-0.300	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H](C2)O3)nc1	2223643021	QJQJTWDMPUVXHN-JGPRNRPPSA-N	248.091	-0.117	50	10	BBGE	
C[C@H]1CNC[C@H](C)C1Nc1cc(B(O)O)ccn1	2223669011	FCTKZNZDINSAIX-IUCAKERBSA-N	249.123	-0.583	50	10	BBGE	
N[C@H]1CC[C@H](CCNc2ncccc2B(O)O)C1	2223671888	BQQKYIGMNYRJIE-ZJUUUORDSA-N	249.123	-0.309	50	10	BBGE	
C[C@@H]1CCN(c2ccc(B(O)O)cn2)[C@H](C)[C@@H]1N	2223672261	SULXDGRSEBYPNS-KBVBSXBZSA-N	249.123	-0.677	50	10	BBGE	
C[C@H](Cl)C(=O)[C@@H]1CO[C@@H]2CNC[C@@H]2O1	2241261501	VNWURADURUZQTR-YWIQKCBGSA-N	219.668	-0.061	50	10	BBGE	
CCO[C@H](C)CNC(=O)C1(B(O)O)CCC1	2243348124	UIFDAAPBHJZXFW-MRVPVSSYSA-N	229.085	-0.075	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)C(F)F	2243357297	UPICZEHBXVHFTD-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1CCC[C@H](F)C1	2243362381	QCYYNWITTQMZRS-IUCAKERBSA-N	227.044	-0.354	50	10	BBGE	
C[C@H](O)C(C)(C)NC(=O)C1(B(O)O)CCC1	2243411167	PCUDRRLMNZRSQK-ZETCQYMHSA-N	229.085	-0.341	50	10	BBGE	
CC[C@@H](O)CN(CC)C(=O)[C@H]1C[C@H]1B(O)O	2243426287	GGPWKYQPOQDSMZ-HRDYMLBCSA-N	229.085	-0.531	50	10	BBGE	
C=CCNC(=O)CN1CCC(B(O)O)CC1	2244179442	BIYAVUCMMQYVAM-UHFFFAOYSA-N	226.085	-0.773	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CCCC12CC2	2247734960	WTHWNMLCPFUMDY-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
C[C@]1(F)CCN(C(=O)c2ccc(B(O)O)o2)C1	2247737082	CHDQDBFTZOKEQH-JTQLQIEISA-N	241.027	-0.467	50	10	BBGE	
CN(C[C@H]1C[C@H]1F)C(=O)c1ccoc1B(O)O	2247747701	RGILTPQUBWFIQK-HTRCEHHLSA-N	241.027	-0.611	50	10	BBGE	
CN1CCC[C@H](N(C)C(=O)C2(B(O)O)CC2)C1	2247753509	HXABAKMQKXWHNS-VIFPVBQESA-N	240.112	-0.454	50	10	BBGE	
C#C[C@H](C)NC(=O)c1c(F)cccc1B(O)O	2247760716	MKSAWNQEYPOULX-ZETCQYMHSA-N	235.023	-0.743	50	10	BBGE	
CC(C)C[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2247783160	ALWKOTCOPVCVQT-ZETCQYMHSA-N	239.084	-0.746	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247791629	NZBSMQDJQMDJNN-LPEHRKFASA-N	240.112	-0.563	50	10	BBGE	
C[C@@H]1CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC[C@@H]1N	2247792054	QMPMFMZYMQZGJH-IMSYWVGJSA-N	240.112	-0.565	50	10	BBGE	
O=C1[C@H]2CCCC[C@H]2N1C(=O)[C@@H]1C[C@@H]1B(O)O	2247806844	GNJQZCNPOKTKAK-UYXSQOIJSA-N	237.064	-0.223	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCOCC12CCC2	2247807387	HVICIIPHENUKGD-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCc2nc[nH]c2C1	2247809654	QJNQRVCHDFGIFF-NKWVEPMBSA-N	235.052	-0.843	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1ccc(B(O)O)cn1	2247846860	NPOYCCZLQYUIDH-MRVPVSSYSA-N	236.080	-0.320	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CC2)C[C@H](C)CN1	2247854465	CZNCOYAALWGOBQ-BDAKNGLRSA-N	240.112	-0.550	50	10	BBGE	
COCC(COC)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247858454	FJVLWKDKHUEXCV-ZKCHVHJHSA-N	245.084	-0.983	50	10	BBGE	
C[C@@H]1CN(C)CC[C@H]1NC(=O)C1(B(O)O)CC1	2247879047	PKNQOYPXJKRCQN-RKDXNWHRSA-N	240.112	-0.550	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CC2)CC[C@@H]1C	2247879516	TYGDREJXLQPFCR-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CC[C@]1(NC(=O)C2CC(B(O)O)C2)CCOC1	2247890651	APJGEDGSHKCYDS-AMUVOQDHSA-N	241.096	-0.075	50	10	BBGE	
COC[C@](C)(NC(=O)[C@H]1C[C@@H]1B(O)O)C1CC1	2247899680	PEZLWJTWGVTNPY-QXEWZRGKSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H](F)[C@@H](CO)C1	2247908974	CNCXUQHYGDZECR-SRKTWWLUSA-N	245.059	-0.972	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1cc(B(O)O)ccn1	2248438464	FVYGFWBETWPUTP-QMMMGPOBSA-N	232.048	-0.641	50	10	BBGE	
CC(C)[C@](C)(NC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2248578325	MXHLTALLAFNELH-FWWHASMVSA-N	243.068	-0.535	50	10	BBGE	
CC(C)(CNC(=O)C1CC(B(O)O)C1)C(=O)O	2248585012	FHEBVMBGILMXDP-UHFFFAOYSA-N	243.068	-0.534	50	10	BBGE	
CC1CCN(C(=O)c2cc(B(O)O)co2)CC1	2249417015	ZSYYSWHBSQRTTN-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCC[C@H]21)c1cocc1B(O)O	2249427732	KLMYJGAGGJHBOZ-MTBHXBHISA-N	235.048	-0.512	50	10	BBGE	
C[C@]1(O)[C@H]2C[C@@H]1CN(CCCCC(=O)NN)C2	2249573515	BJNXXRBDAPCYSW-PEGIJTEDSA-N	241.335	-0.151	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2249603243	IEJBHSUWDDESGA-ZRUFSTJUSA-N	241.335	-0.296	50	10	BBGE	
C[C@H]1COCC[C@H]1C(=O)NCCC#CB(O)O	2249998492	JRNYYSQZSPLDPY-VHSXEESVSA-N	239.080	-0.819	50	10	BBGE	
NC[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[C@H](B(O)O)C1)C2	2250680821	IADKSYNJAWTGDV-TURQNECASA-N	238.096	-0.953	50	10	BBGE	
O=C(N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21)c1ccc(B(O)O)o1	2255461704	LMPRXRZVPNQPPJ-UMSVSBSPSA-N	247.059	-0.656	50	10	BBGE	
O=C(C#CB(O)O)NCc1ccccc1[N+](=O)[O-]	2255468487	BLOORPDSWBOERP-UHFFFAOYSA-N	248.003	-0.774	50	10	BBGE	
C[C@@H](CCC#N)NC(=O)c1ccc(B(O)O)cn1	2255517589	WGLYSOOKRCLYQS-QMMMGPOBSA-N	247.063	-0.817	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1n[nH]cc1B(O)O	2255548198	LCLIRBGWLHMHCY-RNLVFQAGSA-N	249.079	-0.992	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32)[C@H]1C[C@H](B(O)O)C1	2255564946	RUMIZDFBWFZZEE-QIODKZAESA-N	247.103	-0.134	50	10	BBGE	
C=CCCCNC(=O)c1nccc(C)c1B(O)O	2255581030	LAVXSTUGNDVEGK-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
CC[C@H](NC(=O)c1ncc(B(O)O)cn1)C1CC1	2255587405	SHNFGVFEUJPRHO-VIFPVBQESA-N	249.079	-0.925	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1cc(C)c(B(O)O)o1	2255747044	DLMXECJDHFRFCE-SECBINFHSA-N	247.059	-0.494	50	10	BBGE	
C=C(C)CCNC(=O)c1cc(B(O)O)ccc1O	2256018632	PFAYRPMCAKXFJW-UHFFFAOYSA-N	249.075	-0.232	50	10	BBGE	
C#CC(C)(C)C(=O)NCc1cccc(B(O)O)c1	2256641624	WXZMPAVZHWTGBK-UHFFFAOYSA-N	245.087	-0.358	50	10	BBGE	
Cc1cc(CNC(=O)N2CCC2)ccc1B(O)O	2260830584	YLQFQQLWMGKXGM-UHFFFAOYSA-N	248.091	-0.410	50	10	BBGE	
C[C@H]1CC[C@@H](O)CN1C[C@@H]1CC[C@H]1C(=O)NN	2298164783	INJZRQQDZCGROP-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]2C[C@]21CO)[C@@H]1C[C@H]1B(O)O	2298377594	XLJJBYQHUFJJNT-FNBUAPEOSA-N	239.080	-0.874	50	10	BBGE	
C#C[C@H]1N(c2ccc(B(O)O)cn2)CC1(C)C	2299563325	HYKLJHITGXHRHG-SNVBAGLBSA-N	230.076	-0.391	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC(C#N)C1	2301339952	YQMRXEVQJJPQTN-UHFFFAOYSA-N	227.032	-0.802	50	10	BBGE	
CN(C[C@H]1CC[C@H](C(=O)NN)C1)CC1(O)CC1	2301866042	CTKRCXNMWRFEKA-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@@H]1CCO1	2302382162	COPSPSNQXBMUCZ-NSHDSACASA-N	235.092	-0.413	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)C1CC(B(O)O)C1	2302517070	TYMGXMGBRHTUNS-RTBKNWGFSA-N	243.112	-0.285	50	10	BBGE	
COCCOCCCN1CC[C@](C)(B(O)O)C1	2303096825	IVEMDTTWUYWVFK-NSHDSACASA-N	245.128	-0.022	50	10	BBGE	
CC[C@@H]1C[C@H]1CCOc1ncc(B(O)O)cn1	2303535488	WFHMJFRKMPVKDE-RKDXNWHRSA-N	236.080	-0.029	50	10	BBGE	
CC[C@@H](CCN)Oc1cc(B(O)O)c(F)cn1	2303854395	CCMOGMHPAPWSDE-ZETCQYMHSA-N	242.059	-0.593	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCN[C@@H]3CC[C@H]23)c1	2312614554	WGLAFDWNJRCIGK-AXFHLTTASA-N	248.091	-0.719	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1OCCC1CNC1	2317162146	IGBZUWHBBPWLSL-UHFFFAOYSA-N	246.075	-0.774	50	10	BBGE	
CC(C)(CN)COc1ccc(B(O)O)cc1C#N	2317205794	IMQAWEAJYXILMI-UHFFFAOYSA-N	248.091	-0.398	50	10	BBGE	
N[C@H]1CC[C@@H](Nc2ccc(C=O)c(B(O)O)c2)C1	2317312406	GQMZLFUXEVYWKN-VHSXEESVSA-N	248.091	-0.529	50	10	BBGE	
NNC(=O)CNCc1ccc(N)cc1[N+](=O)[O-]	3645846	MAPGYXGKILYNNC-UHFFFAOYSA-N	239.235	-0.744	50	10	BBGE	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1	49815373	NOXZNVGLZRFUHP-QMMMGPOBSA-N	213.281	-0.068	50	10	BBGE	
CNC(=O)C1(C(=O)NC)CCC(N)=C(C#N)C1	82302266	PLLABKAAWYFJGY-UHFFFAOYSA-N	236.275	-0.615	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(CO)CC1	82465790	ASYXNHSELFOYPK-SNVBAGLBSA-N	229.324	-0.295	50	10	BBGE	
CCN1CCC(N(C)[C@@H](C)C(=O)NN)CC1	82470119	BSTPKENRCURYKL-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
CN1CCN(c2nc(C(=O)NN)cs2)CC1	82688777	RUINCPXURLENAP-UHFFFAOYSA-N	241.320	-0.502	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NCCN	86550516	IFRFSQVQSRSARP-LURJTMIESA-N	214.718	-0.261	50	10	BBGE	
COCCOCc1ccc(C(=O)NN)cn1	87224034	ALVPJWARDJHPAG-UHFFFAOYSA-N	225.248	-0.152	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCO[C@H](CCl)C1	88096209	GZRUYYSLGMCGIM-RKDXNWHRSA-N	249.694	-0.132	50	10	BBGE	
O=C1CN([C@H]2CCN(C3CC3)C2)CC(=O)O1	111218155	XOPDGFIKXLNPKM-VIFPVBQESA-N	224.260	-0.392	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2CC[C@H](O)[C@H]2C1	125783227	LBTUYDURTQVMFE-CIUDSAMLSA-N	213.281	-0.931	50	10	BBGE	
C[C@H](O)CNC(=O)C(=O)NCCCCl	170359110	SBMCASYRXQZAMH-LURJTMIESA-N	222.672	-0.772	50	10	BBGE	
Cc1cc(COc2ccccc2B(O)O)n(C)n1	203650969	NLFRFAQNECKJLI-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
COC[C@H](O)CN(C)[C@@H](C)CCC(=O)NN	216483853	NMRWBVMKVXXKQQ-DTWKUNHWSA-N	233.312	-0.916	50	10	BBGE	
COC(=O)[C@@H](Cl)CS(C)(=O)=O	224310453	LCXLDBXXVIHPNR-BYPYZUCNSA-N	200.643	-0.189	50	10	BBGE	
COC[C@@H](Oc1c(C)nn(C)c1C)C(=O)NN	232418496	GHFVIISVLXBIBZ-MRVPVSSYSA-N	242.279	-0.579	50	10	BBGE	
COCOc1c(B(O)O)cnc(F)c1F	238356921	CTMDQHIOLPOWHY-UHFFFAOYSA-N	218.952	-0.978	50	10	BBGE	
CNC(=O)[C@H](C)CN(C)[C@H](C)CC(=O)NN	300216525	RFKFTZXHXJEUOX-HTQZYQBOSA-N	230.312	-0.931	50	10	BBGE	
O=C(CBr)NC1COCCOC1	306186014	BDRUTGLZZSSLGQ-UHFFFAOYSA-N	238.081	-0.087	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@H](O)C1	306717169	GLVQNMDNZWGWQA-NKWVEPMBSA-N	207.657	-0.167	50	10	BBGE	
CC(=O)NNC(=O)c1cnc(S)[nH]1	307290088	ZXZSUQGATWFBHS-UHFFFAOYSA-N	200.223	-0.521	50	10	BBGE	
NNC(=O)C(=NNC(N)=S)c1ccccc1	309231130	XGYCSRUNPFNQMF-UHFFFAOYSA-N	237.288	-0.786	50	10	BBGE	
CSCCCNNC(=O)[C@H]1COCCN1	309648384	RLCSHSYRVVBFBL-MRVPVSSYSA-N	233.337	-0.651	50	10	BBGE	
COC(=O)[C@H]1CCC[C@H]1c1cc(B(O)O)on1	310381906	CLPYWXCRUAELSB-RQJHMYQMSA-N	239.036	-0.589	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC(F)(F)C2)O1	313313463	QTHVEUPNGSKDDQ-YUMQZZPRSA-N	249.261	-0.135	50	10	BBGE	
C[C@@H](CO)[C@@H](C)N=c1[nH]c(CCl)nc(=N)[nH]1	381063055	LVNONOHPEWSZRU-NTSWFWBYSA-N	245.714	-0.126	50	10	BBGE	
CC1=NC(=NO)C(=O)N1C[C@H](O)CCl	383691877	ZLWGDKRDSGCEAX-RXMQYKEDSA-N	219.628	-0.366	50	10	BBGE	
O=C1CN(CC2[C@H]3COC[C@H]23)CC(=O)O1	385613607	HCTPNNVMVSLCTC-HTQZYQBOSA-N	211.217	-0.736	50	10	BBGE	
NNC(=O)C(=O)N(CC(F)F)C1CC1	386931704	KIDUSVNMMCGDLX-UHFFFAOYSA-N	207.180	-0.768	50	10	BBGE	
NNC(=O)c1coc(CN2C[C@H]3C[C@H]2CO3)n1	387635077	RLPNDGMNBVECRW-NKWVEPMBSA-N	238.247	-0.749	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](O)C(C)(C)C1	388143587	DYBVWOUMDDLRPC-JGVFFNPUSA-N	215.297	-0.542	50	10	BBGE	
O=C(O)CCc1cccc(O)c1B(O)O	396060924	RFQCFUHZKIPRPU-UHFFFAOYSA-N	209.994	-0.911	50	10	BBGE	
CC(C)(CSCCC(N)=O)C(=O)NN	399164347	LULAKZLDCSXXKB-UHFFFAOYSA-N	219.310	-0.389	50	10	BBGE	
NNC(=O)CN1CCC=C(Br)C1	404345624	MHSLIQHMMCTBBP-UHFFFAOYSA-N	234.097	-0.039	50	10	BBGE	
C[C@@H]1C[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	405038732	YDHQXGSDFOEZCM-SVRRBLITSA-N	220.037	-0.644	50	10	BBGE	
CC[C@H](/C=N/NC(N)=O)[C@H](C)/C=N/NC(N)=O	585669188	DDMBJBYIAQTMGB-VOFHSHOWSA-N	242.283	-0.043	50	10	BBGE	
CC(/C=C/C=N/NC(N)=O)=N\NC(N)=O	585669194	IIVSTKIIWBJSLD-AMFRXYJUSA-N	212.213	-0.759	50	10	BBGE	
CCO[C@@H]1C[C@@H]1C(=O)Nc1ccccc1B(O)O	689954134	OPZCMJNCFPCRIU-GZMMTYOYSA-N	249.075	-0.270	50	10	BBGE	
O=C(Cc1cccc(O)c1)NCB(O)O	701943774	LEEOKNBFVRSKNM-UHFFFAOYSA-N	209.010	-0.937	50	10	BBGE	
NNC(=O)CCCn1ccnc1[N+](=O)[O-]	702733958	WSZGHNUUPLRTOP-UHFFFAOYSA-N	213.197	-0.439	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)CC1(C)COC1	702970037	SNHZALYUEZFBFM-MRVPVSSYSA-N	215.297	-0.277	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCCN(C)C1)C(=O)NN	705223124	NXOYYXHDGLGKIF-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
Cn1cc(C(=O)N[C@H]2COCC[C@@H]2Cl)nn1	710870753	RHBNMJBVALERLY-XPUUQOCRSA-N	244.682	-0.059	50	10	BBGE	
Cn1nnc(CN[C@H]2COCC[C@H]2Cl)n1	710959188	DYUBPXXLXKWZNK-RQJHMYQMSA-N	231.687	-0.304	50	10	BBGE	
CCNC(=O)N1CCc2cccc(B(O)O)c21	712146673	PPHSHDNDPDDOLP-UHFFFAOYSA-N	234.064	-0.542	50	10	BBGE	
CC#CC(=O)NNC(=O)Cc1ccccn1	801150625	DKNQVPYETMGQNE-UHFFFAOYSA-N	217.228	-0.205	50	10	BBGE	
CC(C)OC(=O)NNS(=O)(=O)N1CCC1	842589488	CANZYAZBCAFXSU-UHFFFAOYSA-N	237.281	-0.424	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CCCCCO1	863880131	OXERXOZVOIVJES-UHFFFAOYSA-N	249.075	-0.076	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)Cc1ccsc1	1116742012	BMAOCYGOTLIJBS-ZCFIWIBFSA-N	228.273	-0.181	50	10	BBGE	
CN(Cc1c(F)cccc1B(O)O)C1COC1	1232757570	COJNWVXWXPPJGH-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
C=C(CO)C(=O)NNc1cc(C)nc(N)n1	1471350563	XJQFHDRPYWNTJK-UHFFFAOYSA-N	223.236	-0.641	50	10	BBGE	
CC(=O)NNC(=O)Cc1ccc(O)c(O)c1	1539518238	NBSYYTHRQKITKG-UHFFFAOYSA-N	224.216	-0.192	50	10	BBGE	
COc1cccc([C@H](O)C(=O)NNC(C)=O)c1	1624651367	CDRCJPQXTLPEHG-JTQLQIEISA-N	238.243	-0.104	50	10	BBGE	
CCc1cc(C(=O)NN(C)C(N)=O)no1	1636582751	ADYYPDYREMXTSC-UHFFFAOYSA-N	212.209	-0.108	50	10	BBGE	
O=C(NNc1nc[nH]n1)c1cn(C2CC2)nn1	1641624354	UVIVIQDRONNIQJ-UHFFFAOYSA-N	234.223	-0.512	50	10	BBGE	
Cc1cc(C(=O)NNc2cnnn2C)cnn1	1651046122	KPZSZNUUFUPNKL-UHFFFAOYSA-N	233.235	-0.330	50	10	BBGE	
C#CCN(CC#N)CC(=O)NNC(=O)C(C)C	1658389072	BPPQKEHOGNHKHC-UHFFFAOYSA-N	236.275	-0.751	50	10	BBGE	
OC[C@H](O)CNC[C@@H]1C[C@@H]1Br	1877357818	LCKIXRDYOJGBJN-XVMARJQXSA-N	224.098	-0.287	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CO[C@H]1CCOC1	1886077263	SYRIVRZBDANTAD-FXQIFTODSA-N	200.238	-0.582	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@H]1COC[C@H]1O	1893417605	QISHYXFLYINVNR-NTSWFWBYSA-N	219.624	-0.816	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H]1[C@@H](C)N	1901374970	IALLPEQEIIRZSI-BWZBUEFSSA-N	249.336	-0.718	50	10	BBGE	
C[C@H]1[C@H](O)CCN1[C@H](C)CCCC(=O)NN	1901768174	ZLHIWRPZODMHSQ-KXUCPTDWSA-N	229.324	-0.010	50	10	BBGE	
C[C@@]1(N)CCN(C(=O)C2(B(O)O)CCC2)C1	1904673042	NCWIJGILRKDKNP-SECBINFHSA-N	226.085	-0.667	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@H]1CO	1909057788	WHZNBJQCRMUVTP-IUCAKERBSA-N	213.281	-0.622	50	10	BBGE	
C[C@@H](Cn1ccn(C2CC2)c1=O)C(=O)NN	1912236603	AZAKYBDWZPRFRG-ZETCQYMHSA-N	224.264	-0.389	50	10	BBGE	
Cc1cc(=O)n(C[C@H](C)C(=O)NN)cn1	1912236820	IVLFIIIAVFGVBP-LURJTMIESA-N	210.237	-0.822	50	10	BBGE	
CC1(C(N)=O)CN(S(=O)(=O)CCl)C1	1914232291	OEPDOOGQPVIBIB-UHFFFAOYSA-N	226.685	-0.680	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C(=O)CBr	1916826662	RVYLSLXMRJXEAN-YFKPBYRVSA-N	237.097	-0.026	50	10	BBGE	
C[C@@H](CCO)N(C)C[C@@H](C)C(=O)NN	1917043422	QPYVROBMGVRWBL-SFYZADRCSA-N	203.286	-0.685	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21	1929838310	LWSWLFTTZLBHFU-DMAGGPPCSA-N	212.249	-0.977	50	10	BBGE	
O[C@H](CCl)CN1C[C@@H]2OCCO[C@@H]2C1	1930246965	KCZXKPQJZTYTSD-HLTSFMKQSA-N	221.684	-0.314	50	10	BBGE	
CS(=O)(=O)c1sccc1[C@@H](N)B(O)O	1930700083	HDHJBLAUZRRDSF-RXMQYKEDSA-N	235.095	-0.837	50	10	BBGE	
N#Cc1cnn(CC2(C(=O)NN)CC2)c1	1931267769	YPWQLYRWIFJLLW-UHFFFAOYSA-N	205.221	-0.475	50	10	BBGE	
C[C@@H]1CN(CC(F)(F)C(=O)NN)C[C@H]1F	1932374603	XOVJDIQTVUEDIV-PHDIDXHHSA-N	225.214	-0.099	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC([C@H]2CC2(F)F)C1	1933055925	GLJXPFXYVHZJAI-CAHLUQPWSA-N	219.235	-0.048	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@H]1CCC[C@@H]1O	1936086598	YOHOSBVHADKHTK-XKNYDFJKSA-N	227.308	-0.542	50	10	BBGE	
N#C[C@H]1CCCN(CCOCC(=O)NN)C1	1936529160	JWZOTHHCDKOVEL-SECBINFHSA-N	226.280	-0.772	50	10	BBGE	
CSC1CC(N(C)CCOCC(=O)NN)C1	1936531622	GAVRDSJDVYGEGN-UHFFFAOYSA-N	247.364	-0.181	50	10	BBGE	
CN(CCOCC(=O)NN)C1CCSCC1	1936532265	HURGUDFCKGUWJH-UHFFFAOYSA-N	247.364	-0.180	50	10	BBGE	
C[C@]1(O)CCCN(C[C@@H]2C[C@@H]2C(=O)NN)CC1	1941086947	LCNVPAQPNOZRMC-NHCYSSNCSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1941088408	QDLAJEGHFMUSHJ-MFDAYCCISA-N	239.319	-0.685	50	10	BBGE	
COCCN(CCOC)C[C@H]1C[C@@H]1C(=O)NN	1941090132	NEWWSCLBUTUNKY-ZJUUUORDSA-N	245.323	-0.793	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@]1(C)CO	1941092114	GJDRVMQLBMRKTM-GUDRVLHUSA-N	241.335	-0.437	50	10	BBGE	
C[C@@H]1C(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C(=O)[C@@H]1C	1941092630	LFOFWBNMRSYCDM-FKSUSPILSA-N	239.275	-0.747	50	10	BBGE	
C[C@@H]1CCN(CC(C)(C)C(=O)NN)[C@H]1C(N)=O	1942615756	KKTTVCPLXPUCAV-HTQZYQBOSA-N	242.323	-0.802	50	10	BBGE	
C[C@@H]1CCO[C@H]1COc1cncc(B(O)O)c1	1947086125	NMTRNMZFOUJOCT-KCJUWKMLSA-N	237.064	-0.435	50	10	BBGE	
CC[C@@H](Cl)C(=O)NCc1nnn(C)n1	1955557743	HIISCRPLHNELIC-RXMQYKEDSA-N	217.660	-0.156	50	10	BBGE	
NNC(=O)CCn1cc(Cl)ccc1=O	1957228094	VMAFRRPSJNRYDN-UHFFFAOYSA-N	215.640	-0.118	50	10	BBGE	
NNC(=O)N1CC[C@H](N2CCCC2=O)C1	1961476058	MXKDMLIFDNYPFW-ZETCQYMHSA-N	212.253	-0.734	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12	1961815211	LBFNSIGNJOWCRH-SQQIUAQRSA-N	209.293	-0.047	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2	1961917164	SLHDSYSKXRAEMB-OEZYJKACSA-N	230.695	-0.067	50	10	BBGE	
O=C(NCC1[C@@H]2CC[C@@H]12)c1ccc(B(O)O)cc1	1965497803	QBQNBLDWWGBCBF-GHMZBOCLSA-N	245.087	-0.248	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cccc(B(O)O)c1	1969434458	HKDDACKIZDASGL-UHFFFAOYSA-N	243.071	-0.372	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC[C@@H]2O)C1	1975355091	HKCDJTQFTJQIDE-YUMQZZPRSA-N	213.281	-0.788	50	10	BBGE	
C[C@@H](CO)S(=O)(=O)N1CCC(O)(C#N)CC1	1975688722	PFBPBAZSKTYBOX-QMMMGPOBSA-N	248.304	-0.953	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(C)(N(C)C)C1	1976832341	GZBRUXLOIMSWMF-BDAKNGLRSA-N	228.340	-0.363	50	10	BBGE	
CC(C)CO[C@H](C)Cn1ccc(B(O)O)n1	1979007133	ONCMXXKXUHUZTH-SECBINFHSA-N	226.085	-0.376	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)C2CC2)[C@H](N=C=O)CO1	1979163044	KGDUGGPEIWTTFX-APPZFPTMSA-N	246.288	-0.139	50	10	BBGE	
Cc1nccn1-c1ncc(Cl)cc1B(O)O	1981464546	FAYDKCZMGVNMAS-UHFFFAOYSA-N	237.455	-0.091	50	10	BBGE	
CO[C@H]1C[C@H]1CN=c1[nH]c(CCl)nc(=N)[nH]1	1987751380	UKVQPOMRVBRWEN-WDSKDSINSA-N	243.698	-0.108	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@H](O)c1cnc[nH]1	1991702656	WYNYYKLHDWXXGO-HIXXPVPXSA-N	243.650	-0.119	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H]1c1ncon1	1997763865	BUMWZKGQZQKOJJ-JGVFFNPUSA-N	239.279	-0.025	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCOC[C@]1(C)CO	2003269186	UBWWGZLRXHNUDS-KOLCDFICSA-N	245.323	-0.772	50	10	BBGE	
CCN(CCOC)c1ccc(B(O)O)c(C)n1	2005017791	KEONTUVNAVLVLW-UHFFFAOYSA-N	238.096	-0.457	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC(N(C)C2CC2)C1	2005180996	YOIKMMMPPIVJSP-BDAKNGLRSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1COCC(=O)N1CCCCCC(=O)NN	2005872577	CHBPLEOWNBHHKH-SECBINFHSA-N	243.307	-0.216	50	10	BBGE	
Cc1nc(N2CC(C)(CF)C2)ccc1B(O)O	2008689959	KFNUMFSYSMDSCD-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
CC#CC(=O)NCCc1ccc(B(O)O)cc1	2025203796	KGJZDPQKCTYHDS-UHFFFAOYSA-N	231.060	-0.952	50	10	BBGE	
Cc1nc(O[C@@H]2CC[C@H]3C[C@@H]32)ncc1B(O)O	2026071213	UIUPSOGJIDYREY-OYNCUSHFSA-N	234.064	-0.358	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2CCO[C@@H]2C1	2052032933	GGKALNBBGBBDRN-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
CN(Cc1ccnn1C)c1ccncc1B(O)O	2052494175	IXFYZWVMQOMCIV-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CCOc1ccc(C=O)c(B(O)O)c1[N+](=O)[O-]	2060147844	QORVKTOSCSDQPU-UHFFFAOYSA-N	238.992	-0.514	50	10	BBGE	
OB(O)c1cncc(OC[C@@]23CC[C@@H](CO2)C3)c1	2073095221	MJHQCORBRMFXSP-SKDRFNHKSA-N	249.075	-0.291	50	10	BBGE	
O=C(Cc1ccccn1)N[C@H]1CCC=C1B(O)O	2076081474	JGEHZWIOSLSXEK-NSHDSACASA-N	246.075	-0.159	50	10	BBGE	
CO[C@@]1(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1	2079008111	DUXAIYUWAOIELG-JQWIXIFHSA-N	249.075	-0.726	50	10	BBGE	
O=C(Nc1ccncn1)c1cccc(B(O)O)c1	2079011427	DCERVCKGBSWACE-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC[C@@H]1CC[C@H]1Nc1ncc(B(O)O)cn1	2212613629	XPSPXSNDVPJJKN-VXNVDRBHSA-N	221.069	-0.243	50	10	BBGE	
O=c1c(B(O)O)cccn1CC(F)(F)C1CC1	2213452382	NNIJMXMYTPMBTI-UHFFFAOYSA-N	243.018	-0.427	50	10	BBGE	
COCC(=O)Nc1ccc(B(O)O)c(F)c1F	2217061224	QWZBLLGNIOWTPV-UHFFFAOYSA-N	244.990	-0.771	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1Nc1cc(B(O)O)ccn1	2217172228	IKVTWHXHZZBMCS-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
CCCC1(Nc2ccc(B(O)O)cn2)CNC1	2217182199	ADYZBLOAFNFFLN-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
Cc1cnc(N2CCC[C@H]2CO)cc1B(O)O	2217182267	BHMBUBFPXYCSBW-VIFPVBQESA-N	236.080	-0.969	50	10	BBGE	
CC[C@H](N)[C@@H](CC)Oc1ccc(B(O)O)cn1	2217191275	IWOMNFVHINININ-VHSXEESVSA-N	238.096	-0.344	50	10	BBGE	
OB(O)c1ccc(N2CCCC[C@H](O)C2)nc1	2217202182	IXUCBOGMPXBPGI-JTQLQIEISA-N	236.080	-0.887	50	10	BBGE	
CC1(C)C[C@@H](N)CN1Cc1cccc(B(O)O)c1	2220053564	IBGPLIZLHKSNPE-GFCCVEGCSA-N	248.135	-0.322	50	10	BBGE	
Cc1cnc(N[C@H]2CCCNCC2)cc1B(O)O	2223643079	RGJDJENVANGPLL-JTQLQIEISA-N	249.123	-0.376	50	10	BBGE	
C#CC[C@](C)(CO)CNc1ccc(B(O)O)cn1	2223643968	CMEIFGVCSMCSBV-LBPRGKRZSA-N	248.091	-0.805	50	10	BBGE	
CNC[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223649632	ZUKZJRTVWORNHE-SNVBAGLBSA-N	249.123	-0.884	50	10	BBGE	
OB(O)c1ccnc(O[C@@H]2CNCC23CCC3)c1	2223667051	QBSHWUKKPDCNIZ-SNVBAGLBSA-N	248.091	-0.718	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1Nc1ccc(B(O)O)cn1	2223668180	VLLQTEKAAMHFND-GHMZBOCLSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@H]2OCCC[C@H]12	2223675280	QPTMLUYJECGMKJ-FBIMIBRVSA-N	248.091	-0.259	50	10	BBGE	
CC(C)NC(=O)c1cscc1B(O)O	2241481401	RZOGIRMIIFQOSL-UHFFFAOYSA-N	213.067	-0.434	50	10	BBGE	
COc1cccnc1NC(=O)C#CB(O)O	2243361800	HKCPOCHCJLVDMX-UHFFFAOYSA-N	219.993	-0.956	50	10	BBGE	
CCO[C@@H](CNC(=O)C#CB(O)O)C(C)C	2243362884	XVJQPXRLADOOMU-VIFPVBQESA-N	227.069	-0.821	50	10	BBGE	
C[C@]1(CNC(=O)[C@H]2C[C@@H]2B(O)O)CCCN1	2243381625	HIRHFETVSVKDKI-OYNCUSHFSA-N	226.085	-0.892	50	10	BBGE	
CC1(CO)CC(NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243396791	QTBLCPXLTWRZOQ-VHSUDJNHSA-N	227.069	-0.874	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ncsc2B(O)O)[C@@H]1C	2243399378	ZTFVTNPNIFKMJY-PHDIDXHHSA-N	240.093	-0.697	50	10	BBGE	
Cc1nc(C(=O)N[C@H](C)CF)c(B(O)O)s1	2243413382	FIPFSAGEFARCLC-SCSAIBSYSA-N	246.072	-0.781	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)[C@H]1C[C@H]1B(O)O	2243427405	VARWFZQARRUJEP-XHNCKOQMSA-N	226.085	-0.988	50	10	BBGE	
NN=c1ccc(C(=O)N[C@H]2C[C@H](Cl)C2)n[nH]1	2243974696	AKMOGQSKPFFNRU-IZLXSQMJSA-N	241.682	-0.316	50	10	BBGE	
CN(C[C@@H]1CC[C@H]2C[C@H]1CO2)C(=O)C(=O)NN	2247072135	WRKHJJDTSUMHTB-CIUDSAMLSA-N	241.291	-0.750	50	10	BBGE	
COC[C@H](OCC12CC(C)(CO1)C2)C(=O)NN	2247415959	HELXZRQBTCSSLI-PUSIOWJLSA-N	244.291	-0.423	50	10	BBGE	
O=C(NCCN1CC=CC1)C1(B(O)O)CCC1	2247731896	ADLGGPXNBOHALZ-UHFFFAOYSA-N	238.096	-0.629	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1coc(B(O)O)c1	2247734073	RICKJXCNZWETSN-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC[C@@H]1CF	2247741864	GZIUWXHVTUMXJP-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
O=C(C#CB(O)O)N1CCNc2ccccc21	2247743822	JYHFAEIGNAPIKX-UHFFFAOYSA-N	230.032	-0.540	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1CCOC12CCCC2	2247747794	SIXHGVXUKFFBSE-VIFPVBQESA-N	237.064	-0.780	50	10	BBGE	
CC(C)N(O)C(=O)c1ccc(F)c(B(O)O)c1	2247754849	AZDSYHCKSGDDET-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
NC[C@]1(F)C[C@@H](NC(=O)C2(B(O)O)CCC2)C1	2247756629	SXFLHZLPQGGJHN-OTSSQURYSA-N	244.075	-0.671	50	10	BBGE	
C=C(C)CN(C)C(=O)c1ccc(B(O)O)cn1	2247769597	KESNSHGYSVTNLL-UHFFFAOYSA-N	234.064	-0.591	50	10	BBGE	
O=C1CCCN1C(=O)c1ccc(B(O)O)cc1	2247776024	SXWZOFSOOPQQJM-UHFFFAOYSA-N	233.032	-0.871	50	10	BBGE	
Cc1ccnc(C(=O)NC2(C)CC2)c1B(O)O	2247791544	NFSJYRHXYTUTKQ-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
CCCN(C(=O)[C@H]1C[C@H](B(O)O)C1)C1COC1	2247793572	YSLNWYKYQUKFPV-KYZUINATSA-N	241.096	-0.123	50	10	BBGE	
NC1(CCCNC(=O)[C@H]2C[C@H](B(O)O)C2)CC1	2247797599	LGYKMNODYPMJEX-KYZUINATSA-N	240.112	-0.373	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247799140	AALQEZTZEUZREM-SEZDTBSWSA-N	241.096	-0.125	50	10	BBGE	
CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CCN1	2247810111	UWEAUCBVGARXRA-HLTSFMKQSA-N	240.112	-0.504	50	10	BBGE	
CN(C[C@@H]1C[C@]1(C)C(F)F)C(=O)C#CB(O)O	2247849842	GBZPDKWWKLIVIB-XVKPBYJWSA-N	245.034	-0.249	50	10	BBGE	
Cc1cc(C(=O)NC2[C@@H]3CC[C@@H]23)oc1B(O)O	2247855757	XSVGEGXDSJGQAI-RNFRBKRXSA-N	235.048	-0.594	50	10	BBGE	
CN(C)CC1CC(NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247860073	RNOXSFZAKVCXKF-BMNUFHGDSA-N	240.112	-0.694	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCCCC1	2247869752	XVWURCDVJMZWNR-UHFFFAOYSA-N	234.064	-0.613	50	10	BBGE	
CC=C1CN(C(=O)c2cc(B(O)O)cn2C)C1	2247873762	GGLNCYVGKGWBHY-UHFFFAOYSA-N	234.064	-0.893	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)[C@H]1CC[C@@H](O)CC1	2247887484	OQMSUTIAPNULMX-QCLAVDOMSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247898813	HZBNMCLEFKYDEI-GUBZILKMSA-N	240.112	-0.598	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247905659	VNCCVHGCIMWGMW-LPEHRKFASA-N	242.128	-0.304	50	10	BBGE	
O=C(C#CB(O)O)NC[C@H]1COC2(CCC2)C1	2248792558	QAVUENOFRKFVEB-VIFPVBQESA-N	237.064	-0.923	50	10	BBGE	
CC1=C[C@H](C)CN(C(=O)c2n[nH]cc2B(O)O)C1	2255554562	OCTWDWSPMPBWTM-ZETCQYMHSA-N	249.079	-0.872	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N(C1CCC1)C1CC1	2255668615	BXSAHVBOPPATAT-UHFFFAOYSA-N	248.091	-0.148	50	10	BBGE	
COc1ccc(C(=O)N2CCCC2)cc1B(O)O	2255745877	TWNWCOPYFDHVNI-UHFFFAOYSA-N	249.075	-0.389	50	10	BBGE	
C[C@@H](O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369866	HYIHPVPQJQTFBU-ZYUZMQFOSA-N	241.096	-0.389	50	10	BBGE	
COC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2298376302	QQFYTITZUJAWIC-MSLAYNRJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1CCC1	2298651139	BLLYFWYSAHJKSV-SZEHBUNVSA-N	241.096	-0.389	50	10	BBGE	
CC(C)(CN)Oc1ccc(B(O)O)cc1C#N	2301366294	CRLNSKHUUPYKED-UHFFFAOYSA-N	234.064	-0.646	50	10	BBGE	
CC[C@](C)(CN1CCOC[C@H](O)C1)C(=O)NN	2303424878	WRKZNWGZDRMQGF-MWLCHTKSSA-N	245.323	-0.914	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(B(O)O)c1	2309544023	NWNOHTIRPNNKGK-GUDRVLHUSA-N	244.103	-0.086	50	10	BBGE	
O=Cc1ccc(N[C@@H]2[C@H]3COC[C@H]32)cc1B(O)O	2317309522	TXTGOAVVGFGXTQ-IAZYJMLFSA-N	247.059	-0.764	50	10	BBGE	
N#CCCC1CN(c2cc(B(O)O)c(F)cn2)C1	2320780918	ASBYKKNXVXCRMF-UHFFFAOYSA-N	249.054	-0.360	50	10	BBGE	
CCN(CC)C(=O)CN(C)C(=O)NN	42520014	VIVIHOHVJYCEBJ-UHFFFAOYSA-N	202.258	-0.630	50	10	BBGE	
CC(C)(C)NNC(=O)N[C@H]1CCS(=O)(=O)C1	42872140	VJUCPQASGNNAHJ-ZETCQYMHSA-N	249.336	-0.224	50	10	BBGE	
NC(=S)NNC(=O)NCCN1CCCCC1	45196619	BMAXZFILDKOICD-UHFFFAOYSA-N	245.352	-0.480	50	10	BBGE	
CC(=O)NNC(=O)c1sc(N)nc1C	75623732	ZCEOOQSMCKBEBW-UHFFFAOYSA-N	214.250	-0.185	50	10	BBGE	
CCN1CCN([C@@H](C)CC(=O)NN)C[C@@H]1C	82485327	RYTCVTLGYIWFAT-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@H](N(C)C)C1	84421011	BNXCFSPCRBXLAN-UWVGGRQHSA-N	228.340	-0.219	50	10	BBGE	
CCOC(=O)C/C(N)=N/NC(=O)C(C)C	137907062	BUNHMEOMDQFCNG-UHFFFAOYSA-N	215.253	-0.016	50	10	BBGE	
NNC(=O)C(=O)NCc1cc(F)c(F)c(F)c1	148126436	MGJXEAPPUDTPGD-UHFFFAOYSA-N	247.176	-0.290	50	10	BBGE	
Cc1cnn(CCOc2cccc(B(O)O)c2)c1	199013770	BJBBPUHCERUMHB-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
Cc1cccc(=O)n1Cc1ccccc1B(O)O	199014709	UKLUOFBLKQRSJT-UHFFFAOYSA-N	243.071	-0.115	50	10	BBGE	
Cc1cnn(Cc2ccccc2B(O)O)c1	203174033	YJOLHPASRXXHLV-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
COC[C@H](OCc1ccco1)C(=O)NN	232417466	NKLRBOHIEUUIJV-QMMMGPOBSA-N	214.221	-0.199	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)NCc1ccccc1	276175074	GKKIOMGJJKKTAR-QMMMGPOBSA-N	237.259	-0.102	50	10	BBGE	
C[C@@H](Br)C(=O)N[C@H]1CONC1=O	307170088	ZVEDODSSAVPKGF-DMTCNVIQSA-N	237.053	-0.684	50	10	BBGE	
C[C@H]1CN(C(=O)NN)C[C@H](C)S1(=O)=O	307178464	JGNZMJFZCIPGMO-WDSKDSINSA-N	221.282	-0.923	50	10	BBGE	
OB(O)c1cc2[nH]cnc2cc1CCl	307271144	RJDRMKDGUVKFMW-UHFFFAOYSA-N	210.429	-0.019	50	10	BBGE	
CC1(C)CN(CCn2cc(C(=O)NN)nn2)C1	310334490	MKMOGOLJCPESKV-UHFFFAOYSA-N	238.295	-0.777	50	10	BBGE	
NNC(=O)c1csc(CN2CC[C@@H](N)C2)n1	328404272	NEKZXECNSDSIIE-ZCFIWIBFSA-N	241.320	-0.720	50	10	BBGE	
C[C@@H]1OCCN([C@H](C)CC(=O)NN)[C@@H]1C	380338642	KATYCIZUUSRLGE-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
CCOC1CN(C[C@H](C)C(=O)NN)C1	383049977	IFCBOIWHMKQURO-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
NNC(=O)CCCn1cnc(C2CC2)cc1=O	395622754	LKARTTJRXQOEMT-UHFFFAOYSA-N	236.275	-0.109	50	10	BBGE	
Cc1cc(B(O)O)ccc1Cn1ccnc1	396127065	HRVPXFQYDCSNGX-UHFFFAOYSA-N	216.049	-0.080	50	10	BBGE	
O=C(O)c1c(O)cc(B(O)O)c2sccc12	396386253	QXTMZQJARQTCKD-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
CC(C)CC(=O)Nc1cc(B(O)O)ccn1	404986371	OUVKSBOZICFBGW-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CC(C)NC(=O)CN1CCC(O)(C#N)CC1	692091126	OLFLXMHHISEUOD-UHFFFAOYSA-N	225.292	-0.139	50	10	BBGE	
CO[C@@H](CNC(=O)C(=O)NN)C1CCCC1	692949577	KKZHOHAFABLABH-QMMMGPOBSA-N	229.280	-0.702	50	10	BBGE	
OB(O)c1ccc(OCCN2CC[C@H]3C[C@@H]32)cc1	707088498	NPNAEOMEXNNVKM-GWCFXTLKSA-N	247.103	-0.161	50	10	BBGE	
NS(=O)(=O)C1CCN(C(=O)CCl)CC1	707504196	RMUGNYGQUKHQHT-UHFFFAOYSA-N	240.712	-0.495	50	10	BBGE	
C[C@H](CN1CC[C@H]2OCC[C@H]2C1)C(=O)NN	724821174	DFIRRXZPANDSNE-KXUCPTDWSA-N	227.308	-0.277	50	10	BBGE	
Cn1ncc(C(=O)NNC(=O)c2ccoc2)c1N	757924035	UERICURSDAKFFS-UHFFFAOYSA-N	249.230	-0.330	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@H](O)COC	802222113	VFKUVWREHXHGJV-ORZBULNSSA-N	228.248	-0.446	50	10	BBGE	
C=CCCOCC(=O)NNC(=O)[C@H]1CCCO1	817215265	OGKJZCTUKNBIBG-SECBINFHSA-N	242.275	-0.095	50	10	BBGE	
O=C(CO)NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21	897606257	MQVJJBFCJCOOQY-XHNCKOQMSA-N	226.276	-0.048	50	10	BBGE	
O=C(NNC(=O)c1ccco1)c1ncon1	1134394019	NMQANIJZPIAAFJ-UHFFFAOYSA-N	222.160	-0.263	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)COc1ccsn1	1141855585	VFNSUYFKLUAKAP-ZETCQYMHSA-N	245.304	-0.134	50	10	BBGE	
COCCS(=O)(=O)N1CC(Cl)C1	1259969293	ITISFYUZQBOPHD-UHFFFAOYSA-N	213.686	-0.114	50	10	BBGE	
C=C(CO)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	1326564069	HYUQXNKJQRZZQK-IWSPIJDZSA-N	240.259	-0.750	50	10	BBGE	
C[C@@H]1C[C@H](C(=O)NNC(=O)c2ncon2)CO1	1536938185	STIAALQCJANWOU-RITPCOANSA-N	240.219	-0.744	50	10	BBGE	
O=C(NNC(=O)c1ccncn1)c1ccnnc1	1557069157	CJAWBGOPKVZARY-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CNC(=O)NNC(=O)c1ccns1	1583198500	VXNKAGPMCHXKOJ-UHFFFAOYSA-N	200.223	-0.283	50	10	BBGE	
CNNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C	1880022651	GJOYJAUIVBYXEG-BQBZGAKWSA-N	247.295	-0.489	50	10	BBGE	
Cn1nncc1CCNC(=O)CCl	1882228142	JFTUFNIRNJHCDY-UHFFFAOYSA-N	202.645	-0.287	50	10	BBGE	
CC[S@@](C)(=O)=NCCNC(=O)NN	1882753541	BNVPLPRYJQQDGL-CYBMUJFWSA-N	208.287	-0.723	50	10	BBGE	
O=C(CBr)N1CCNC(=O)C12CC2	1882889894	ONMLQBQBQDPVLL-UHFFFAOYSA-N	247.092	-0.128	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@H](O)[C@H](O)C1	1882907759	RZIAHMSWWDJURE-XLPZGREQSA-N	204.657	-0.455	50	10	BBGE	
O=S1(=O)C[C@H](NC[C@@H]2CCO2)[C@@H](Cl)C1	1885009016	GDTUFGQUPOHAQM-FXQIFTODSA-N	239.724	-0.231	50	10	BBGE	
CO[C@H](C)COc1nc(B(O)O)cs1	1886076635	KETPLCIABLIVBD-RXMQYKEDSA-N	217.055	-0.763	50	10	BBGE	
CO[C@H]1CC[C@@H]1CC(=O)NNCCO	1886968213	IKFYYGKQPOPKIN-SFYZADRCSA-N	202.254	-0.585	50	10	BBGE	
C#CCOCCNC(=O)NC(=O)CCl	1888088401	VFXFHOIJHKQKPD-UHFFFAOYSA-N	218.640	-0.299	50	10	BBGE	
COC1(C(=O)NC[C@@H]2C[C@@H]2Cl)CNC1	1893119445	OIDXVBMLHHSKME-BQBZGAKWSA-N	218.684	-0.282	50	10	BBGE	
O=C(N[C@H]1C[C@H](F)C1)[C@@H]1C[C@@H]1B(O)O	1893580405	LBIBEORNRDVRER-GBNDHIKLSA-N	201.006	-0.534	50	10	BBGE	
CC[C@@H]1C[C@H]1Cn1cccc(B(O)O)c1=O	1895677215	PHRYARVXNVMQKM-BDAKNGLRSA-N	221.065	-0.426	50	10	BBGE	
CC[C@@](C)(CNC(=O)C#CB(O)O)C(F)F	1900145202	OTAWMHYOOITZMU-VIFPVBQESA-N	233.023	-0.201	50	10	BBGE	
COC[C@H](O[C@H]1CC1(C)C)C(=O)NN	1900686293	LKQRQCZTLUJWNT-BQBZGAKWSA-N	202.254	-0.194	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)C=C[C@H](C)N	1901376302	YOZJNVQWCZEKHK-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
CC(C)[C@H](CO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1902091137	HUAIYCRFQCRDSP-AEJSXWLSSA-N	229.324	-0.439	50	10	BBGE	
COCCCC(=O)N1CC[C@](C)(B(O)O)C1	1902514741	XLMYYTBEOBHONI-JTQLQIEISA-N	229.085	-0.122	50	10	BBGE	
COC(=O)NC1CN(C(=O)NC(=O)CCl)C1	1904722917	ASNIZYLIEDRRNA-UHFFFAOYSA-N	249.654	-0.498	50	10	BBGE	
Cc1ccc(=O)n(C[C@@H](C)C(=O)NN)n1	1912237084	LQIGOCUHRINLRH-ZCFIWIBFSA-N	210.237	-0.822	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1C[C@H]1[N+](=O)[O-]	1923195761	KTVRXCCDHCSWOK-STHAYSLISA-N	241.125	-0.639	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NNC(=O)C(F)(F)F	1923409641	CKQONGYUKWBMCK-QWWZWVQMSA-N	226.154	-0.269	50	10	BBGE	
CC(C)c1ocnc1CNC(=O)C(=O)NN	1926407626	HHJOBPLOMJWIQC-UHFFFAOYSA-N	226.236	-0.596	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2C[C@H]2C1=O	1927915448	HBWRXOCMZHMNCL-LXGUWJNJSA-N	209.249	-0.909	50	10	BBGE	
O=C(CBr)N1C[C@H](F)[C@H](O)C1	1929870236	NZYTYSFSYYKFGM-CRCLSJGQSA-N	226.045	-0.078	50	10	BBGE	
Cn1ncc(Cl)c1CNC(=O)NN	1930878465	NMJYWYUEIFDPDV-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
CC[C@@H](CC(=O)O)CC(=O)NNCCO	1931538243	NULNXRNJPMLJOW-SSDOTTSWSA-N	218.253	-0.510	50	10	BBGE	
COc1sccc1C(=O)NCB(O)O	1931865755	DVLQEVMLOHZFBT-UHFFFAOYSA-N	215.039	-0.502	50	10	BBGE	
CC(C)(CN1CC[C@@H](O)[C@H](F)C1)C(=O)NN	1936026913	RQNKMBBQZWMYAE-HTQZYQBOSA-N	233.287	-0.593	50	10	BBGE	
C[C@@H](N(C)C[C@@H]1C[C@H]1C(=O)NN)C(C)(C)O	1936090800	JOISZFNZSCSADV-HRDYMLBCSA-N	229.324	-0.296	50	10	BBGE	
Cc1c(C(=O)N[C@@H]2COC[C@@H]2Cl)nnn1C	1936102599	GXCPSQNNRURDQU-NKWVEPMBSA-N	244.682	-0.140	50	10	BBGE	
NNC(=O)C(=O)N1CCO[C@@H](C2CC2)CC1	1936185734	KHZUXTJWMALLGU-MRVPVSSYSA-N	227.264	-0.996	50	10	BBGE	
CO[C@H]1CCCN(CCOCC(=O)NN)C1	1936534404	KNXSWVGYNLQZPB-VIFPVBQESA-N	231.296	-0.896	50	10	BBGE	
CC(C)CN(CCO)[C@@H](C)[C@H](C)C(=O)NN	1939257529	KMWFVLASZZZTNC-UWVGGRQHSA-N	231.340	-0.049	50	10	BBGE	
NNC(=O)COCCN1CCC12CCOCC2	1941772068	DGHUVVTZHGCLQH-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
NNC(=O)c1ccc(CN2C[C@H](O)[C@@H](F)C2)o1	1944309222	SLPCIXDBOWQDFZ-YUMQZZPRSA-N	243.238	-0.602	50	10	BBGE	
CN1C[C@H]2[C@@H](N3CC(=O)OC(=O)C3)CC[C@H]2C1	1944695567	RUVVXPBQSFZOBX-AEJSXWLSSA-N	238.287	-0.288	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@@H]3COC[C@@H]32)CC1	1945883788	FTKIQEUCQNFLBA-ZJUUUORDSA-N	239.319	-0.133	50	10	BBGE	
CC1(CO)CN(Cc2ccc(C(=O)NN)o2)C1	1951073446	NTUWGJBKKFGSFV-UHFFFAOYSA-N	239.275	-0.303	50	10	BBGE	
Cc1cnoc1C(=O)N1CC[C@@H](B(O)O)C1	1951320200	GAOXJGFSKOIJKS-SSDOTTSWSA-N	224.025	-0.328	50	10	BBGE	
CC[C@H](Cl)C(=O)N[C@H]1COC[C@H]1O	1954504988	AEHXZHAFLQEAQC-LYFYHCNISA-N	207.657	-0.120	50	10	BBGE	
CC[C@@H](COC)N(C)[C@@H](C)C(=O)NN	1954920419	NDHBAZZXKDXYSP-YUMQZZPRSA-N	203.286	-0.278	50	10	BBGE	
CSCC1CN(C[C@@H](C)C(=O)NN)C1	1955603163	BPNVGMFSSKBRMD-SSDOTTSWSA-N	217.338	-0.093	50	10	BBGE	
CO[C@H]1C[C@@H](OC)CN(C(=O)NN)C1	1956315251	CRSCKPKKCRMZJJ-KNVOCYPGSA-N	203.242	-0.695	50	10	BBGE	
COC1CN(S(=O)(=O)N2CC(Cl)C2)C1	1956899695	AUQWFCRFBGJPCB-UHFFFAOYSA-N	240.712	-0.515	50	10	BBGE	
C[C@H]1CCC[C@@H]1S(=O)(=O)NCB(O)O	1957403207	CIISKBJFDWORHP-BQBZGAKWSA-N	221.087	-0.894	50	10	BBGE	
O[C@H]1C[C@@H]2C[C@@H]([C@H]1O)N(C[C@@H](O)CCl)C2	1961926417	MUOJTHNMEDRYRT-BQHMLIOBSA-N	235.711	-0.598	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](N)C[C@@H](C(N)=O)C1	1962267632	NDQPIZXWMRMNRM-GJMOJQLCSA-N	230.699	-0.748	50	10	BBGE	
C[C@@H](COc1nc(B(O)O)cs1)N(C)C	1974619708	JSHGCVCBBSFFHQ-LURJTMIESA-N	230.098	-0.848	50	10	BBGE	
CS(=O)(=O)C1(C(=O)NCC#CCCl)CC1	1974760169	RHLDCCKRVYFPER-UHFFFAOYSA-N	249.719	-0.078	50	10	BBGE	
CON(CCCCC(=O)NN)[C@H]1CCOC1	1978748589	AHILKYYMNKPETH-VIFPVBQESA-N	231.296	-0.201	50	10	BBGE	
CNC(=O)N[C@@H]1CCCN(C[C@@H](O)CCl)C1	1978819392	BGDOWYLKTDPIIG-BDAKNGLRSA-N	249.742	-0.021	50	10	BBGE	
COC1(CF)CN([C@@H](C)[C@H](C)C(=O)NN)C1	1980376111	DOTGDHWRZBOJPZ-YUMQZZPRSA-N	233.287	-0.329	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC(C2CCC2)C1	1981241377	CHEGXUOATQPFDG-JTQLQIEISA-N	227.308	-0.277	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)C[C@H]2C1	1982122112	SCGOEQQHJPVELU-AATLWQCWSA-N	227.308	-0.685	50	10	BBGE	
O=C1C[C@@H](NC(=O)NC(=O)CCCl)CCN1	1987021784	GXKTZACYQJEAHA-LURJTMIESA-N	247.682	-0.280	50	10	BBGE	
COC[C@@H]1CCCN1CC(=O)NNC(C)=O	1990774323	HLBBAEBDAPAYJH-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
C=C(CN(C)Cc1cc(C)nn1C)B(O)O	1992153595	QCMXAHOPEKSKCP-UHFFFAOYSA-N	223.085	-0.271	50	10	BBGE	
OB(O)c1cnc(N2[C@H]3CCC[C@H]2C3)nc1	1992321472	BDNOAARMTSEFCN-IUCAKERBSA-N	219.053	-0.712	50	10	BBGE	
CC(C)(CN1CC[C@@]1(C)CCO)C(=O)NN	1994707831	UEGJTSKDXHMYFW-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CN(C)[C@H]1CC[C@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O	1996067541	NIOGCIRVARFVIT-JXUBOQSCSA-N	238.287	-0.005	50	10	BBGE	
CN(C)NC(=O)NCC12CC(C(=O)O)(CO1)C2	1997216945	NFYPBWNTXBJMTL-UHFFFAOYSA-N	243.263	-0.604	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1C(=O)Nc1cc(B(O)O)ccn1	1998448007	KUJJWLZCIHZJEM-MTBHXBHISA-N	234.064	-0.398	50	10	BBGE	
CC[C@]1(F)CCN(c2ncc(B(O)O)cn2)C1	2004911205	DPORLNWZJNVLEV-JTQLQIEISA-N	239.059	-0.515	50	10	BBGE	
OB(O)c1cncnc1N1CCC[C@@H]2CC[C@H]21	2004916733	PDZHWZRHIFJHEZ-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
C[C@@H]1CCN(c2ccncc2B(O)O)CCO1	2004929163	JEMGEQDLDQZYLP-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2CCC[C@@H]2C)n1	2005015683	DMOKXFYQKQIZIR-ZETCQYMHSA-N	235.096	-0.238	50	10	BBGE	
C[C@@H]1C[C@H]1N(C)Cc1nn(C)cc1C(=O)NN	2005108891	UBMRRVWHTWXCGT-GMSGAONNSA-N	237.307	-0.136	50	10	BBGE	
C[C@H](N(C)c1ncc(B(O)O)cn1)C(C)(F)F	2009078215	LBBDXJQVCPZMIF-LURJTMIESA-N	245.038	-0.364	50	10	BBGE	
O=C(NNCCO)c1cccc(OC(F)F)n1	2010838962	AERUSGFHNJXBGC-UHFFFAOYSA-N	247.201	-0.090	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@H]1CC(=O)N(C)C1	2014824258	LRUIZMIVAQODLM-CIUDSAMLSA-N	242.323	-0.837	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2[C@H]3COC[C@H]32)cc1	2015128400	PMSGFNFOJRRHKL-GDNZZTSVSA-N	234.060	-0.362	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1C[C@@H](C)CO1	2019219728	PUWCQILCUVEULJ-PSASIEDQSA-N	243.307	-0.490	50	10	BBGE	
OB(O)c1cncc(OCc2ncccc2F)c1	2035747708	FQQSAKMDVPBYSO-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
Cn1cc(C(=O)NN)c(CN2C[C@H]3C[C@]3(C)C2)n1	2050246059	YIZKRYRRMSMJMG-PRHODGIISA-N	249.318	-0.135	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3OCC[C@@H]3C2)c1	2052033374	HSHIBBCTTJGUMX-DGCLKSJQSA-N	247.103	-0.413	50	10	BBGE	
OB(O)c1cncnc1N1CC[C@H]1C1CCCC1	2052471888	ICFGCVYHYXKOOE-NSHDSACASA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)ncc1B(O)O	2052555187	DNPZGJOILIBNTQ-LOKLDPHHSA-N	245.091	-0.691	50	10	BBGE	
Cc1cc(B(O)O)cnc1-n1cnc(C2CC2)n1	2052602479	JWILBSFHGDJOAL-UHFFFAOYSA-N	244.063	-0.472	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@H]2CCO[C@H]21	2056375695	NUTWOVGCEDQGTH-GMTAPVOTSA-N	247.059	-0.660	50	10	BBGE	
COc1c([N+](=O)[O-])ccc(B(O)O)c1C=O	2060276300	QDJHETOZFRXDDW-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1cc(C#N)c([N+](=O)[O-])c(B(O)O)c1	2060287247	MUKFMYDOJFMFRG-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COc1cc(C(=O)N(C)OC)ccc1B(O)O	2060344567	XORMLXVRHRAMNL-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
Cc1ccc(CN2C[C@@H]3COC[C@H]32)cc1B(O)O	2066310959	VTNWQGCLUAFHHY-DGCLKSJQSA-N	247.103	-0.495	50	10	BBGE	
Cc1ccnnc1C(=O)N[C@@H]1CCC=C1B(O)O	2076075181	BAIRQMWWAGWRBN-SECBINFHSA-N	247.063	-0.384	50	10	BBGE	
C=C(CN1CCN(c2ccccn2)CC1)B(O)O	2077492337	LUPHBZLYCCOJQU-UHFFFAOYSA-N	247.107	-0.228	50	10	BBGE	
OB(O)c1cscc1CN1C[C@H](F)[C@@H](F)C1	2211135726	LBJJSRHNJOGAKJ-IUCAKERBSA-N	247.075	-0.080	50	10	BBGE	
C[C@@H](CO)N(C)CC1(C(=O)NN)CCCC1	2212444686	NVYYYTSDBWZQGI-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
Cc1cnc(NCC2(O)CC2)cc1B(O)O	2212604701	RIZBVUSCSVXNRH-UHFFFAOYSA-N	222.053	-0.993	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@H]2CC[C@H]21	2212612546	LTNQQRPOPQKRRX-BRPSZJMVSA-N	218.065	-0.171	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H](O)C12CCC2	2215773123	RJWANOQIRLBMNE-IVZWLZJFSA-N	239.319	-0.398	50	10	BBGE	
NNC(=O)C1(COC[C@H]2COCCO2)CCC1	2216494598	CHQYNWJGGRCRKK-SECBINFHSA-N	244.291	-0.421	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1CC1(C(=O)NN)CCCC1	2216883924	PDFVGQVPVWIZSF-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@](C)(CN)Oc1ncccc1B(O)O	2217174696	XKJCDDJFXVLYDK-LLVKDONJSA-N	238.096	-0.342	50	10	BBGE	
C[C@](O)(CNc1ncccc1B(O)O)C(F)F	2217178066	RBGWHWJRGWLFBU-VIFPVBQESA-N	246.022	-0.811	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CC[C@H](O)C2)c1	2217178860	BRXCDTQVZBJCQA-SCZZXKLOSA-N	236.080	-0.666	50	10	BBGE	
CC[C@@H](C)[C@H](N)COc1ncccc1B(O)O	2217183529	IYCRDZUMCVUDOB-PSASIEDQSA-N	238.096	-0.486	50	10	BBGE	
CCC[C@@](C)(CO)Nc1cc(B(O)O)ccn1	2217183835	OOZKWHRTOPCVFE-NSHDSACASA-N	238.096	-0.276	50	10	BBGE	
OB(O)c1ccnc(OC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c1	2217196563	SMMLCCNPYSCDKB-ZYUZMQFOSA-N	231.060	-0.205	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CO1	2217203029	OQUBVLWSPPHLHQ-PSASIEDQSA-N	236.080	-0.259	50	10	BBGE	
Cc1cnc(NC2CC(CCN)C2)cc1B(O)O	2223641979	FEEVDQRPWJNKBU-UHFFFAOYSA-N	249.123	-0.391	50	10	BBGE	
Cc1cnc(NC23COC(C)(C2)C3)cc1B(O)O	2223644855	OOSJZKYVNWYTDV-UHFFFAOYSA-N	248.091	-0.197	50	10	BBGE	
C=C[C@@]1(O)CCCN(c2ccc(B(O)O)cn2)C1	2223653529	SJXMUIOOQAGKKJ-GFCCVEGCSA-N	248.091	-0.721	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@@]23CCCO3)nc1	2223674388	PFPRYSGMOXLMIX-PWSUYJOCSA-N	248.091	-0.115	50	10	BBGE	
CC[C@H]1CNCC[C@H]1Nc1ncccc1B(O)O	2223674716	MXYCQKRYSLDRBJ-GXSJLCMTSA-N	249.123	-0.439	50	10	BBGE	
Cc1ncncc1CNc1cc(B(O)O)ccn1	2223675767	TZYDGLHWFBSTFW-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CC(C)N(O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2241480451	KRPSUPOLCZAGLG-KNVOCYPGSA-N	201.031	-0.134	50	10	BBGE	
C[C@@H](F)CNC(=O)C1CC(B(O)O)C1	2241495661	LHRLRRJUYNZUMK-GRQBKTHUSA-N	203.022	-0.286	50	10	BBGE	
C[C@H](O)CN(CCN)C[C@H](Cl)C#N	2241657715	BACIVMFFYKPZHB-JGVFFNPUSA-N	205.689	-0.241	50	10	BBGE	
O=C(c1cc(B(O)O)cs1)N1CC[C@@H](F)C1	2243385619	LXDHDJKBZWBURB-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
COCCSCCNC(=O)[C@H]1C[C@H]1B(O)O	2243392087	RCRXTSNAXJINMG-JGVFFNPUSA-N	247.125	-0.655	50	10	BBGE	
CCNC(=O)c1cc(B(O)O)cn1C(C)C	2243407871	BGKSGKWXANAWCU-UHFFFAOYSA-N	224.069	-0.502	50	10	BBGE	
CC[C@@H](C)CNC(=O)c1coc(B(O)O)c1	2243409190	CQWWPMGPDJLLRL-SSDOTTSWSA-N	225.053	-0.265	50	10	BBGE	
C[C@]1(C(=O)NCC#CB(O)O)C=CCCC1	2243685039	MCFQSOAOUJLARH-NSHDSACASA-N	221.065	-0.136	50	10	BBGE	
C[C@H](CCN)CCNC(=O)C1(B(O)O)CC1	2243698976	XBYZIAMGHJHRGQ-MRVPVSSYSA-N	228.101	-0.515	50	10	BBGE	
C=C(CN1C[C@@H]2C[C@@H]2[C@]1(C)COC)B(O)O	2243810291	JTQAVHCJWWLDEN-DCAQKATOSA-N	225.097	-0.089	50	10	BBGE	
O=C(N[C@@H]1CC12CCC2)c1coc(B(O)O)c1	2247723640	VADUJYJHZKTQBH-MRVPVSSYSA-N	235.048	-0.368	50	10	BBGE	
CC[C@H]1C[C@H]1CNC(=O)c1coc(B(O)O)c1	2247735095	KDGJOEVMKGXQPM-YUMQZZPRSA-N	237.064	-0.265	50	10	BBGE	
Cc1ccc(C#N)cc1NC(=O)C#CB(O)O	2247741406	ZFSNTCCPXKTPOR-UHFFFAOYSA-N	228.016	-0.179	50	10	BBGE	
C[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)c[nH]2)C1	2247747241	KTQVNHFUBNYIDE-CBAPKCEASA-N	236.080	-0.387	50	10	BBGE	
O=C(N1CC(N2CCCC2)C1)C1(B(O)O)CC1	2247751415	XMJZMISZEOJQCL-UHFFFAOYSA-N	238.096	-0.700	50	10	BBGE	
CCCN(C)C(=O)c1cc(B(O)O)cn1CC	2247761338	TWPLUSRWTALCQO-UHFFFAOYSA-N	238.096	-0.330	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@@H](B(O)O)C1	2247787964	XCXVWWRMDVSERL-DOLQZWNJSA-N	241.096	-0.483	50	10	BBGE	
O=C(N[C@@H]1CCN[C@@H]1C1CC1)[C@H]1C[C@H]1B(O)O	2247799161	ADRIWVBKZMGSAV-SGIHWFKDSA-N	238.096	-0.894	50	10	BBGE	
C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247800444	PGEDAKPTCKEJHC-AATLWQCWSA-N	241.096	-0.389	50	10	BBGE	
CC1(C)CN(C(=O)C2CC(B(O)O)C2)C[C@H]1N	2247807380	HUQDHWUMPGPZST-AMDVSUOASA-N	240.112	-0.565	50	10	BBGE	
CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808070	STJCUBMHHGJDSK-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CN(CC1(O)CCCCC1)C(=O)C#CB(O)O	2247851535	ZWWWRHJYCZZURN-UHFFFAOYSA-N	239.080	-0.845	50	10	BBGE	
C#CC[C@H](COC)NC(=O)C1CC(B(O)O)C1	2247859521	NLFBFDYGJBNTFI-UDNWOFFPSA-N	239.080	-0.606	50	10	BBGE	
CN(C[C@@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@H]1B(O)O	2247887722	RDZXKQSWOCQAMS-GENCIFFESA-N	239.080	-0.800	50	10	BBGE	
C[C@H](O)C[C@@H](C)CNC(=O)C1CC(B(O)O)C1	2247890629	AEXAIPKBFKDYCF-XHHQTKHESA-N	243.112	-0.237	50	10	BBGE	
COC1CC(CNC(=O)C2CC(B(O)O)C2)C1	2247892665	FOLUUMCWPWFIDC-UHFFFAOYSA-N	241.096	-0.219	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247892900	JJXYCYNGBZNGAA-HACHORDNSA-N	243.112	-0.237	50	10	BBGE	
C#C[C@@H](C)NC(=O)Nc1cccc(B(O)O)c1	2247969688	DFINAKNECHKGNL-MRVPVSSYSA-N	232.048	-0.490	50	10	BBGE	
O=C(O)CC[C@@H]1CCN1C(=O)C1(B(O)O)CC1	2248593523	NVCHXWOBUPKGMJ-SSDOTTSWSA-N	241.052	-0.541	50	10	BBGE	
CC1(CCNC(=O)c2cc(B(O)O)co2)CC1	2249415877	KBDWFGDGTZJFTK-UHFFFAOYSA-N	237.064	-0.121	50	10	BBGE	
CC#CCCNC(=O)c1ccc(B(O)O)cc1F	2255497860	IUEAWXZFOYWEJR-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
O=C(c1cc(F)ccc1B(O)O)N1CC2CC1C2	2255500858	NDQNJHBTYDZKKC-UHFFFAOYSA-N	249.050	-0.260	50	10	BBGE	
C#C[C@H](CC)NC(=O)c1cc(C)cc(B(O)O)c1	2255514035	CBVMOIYBWZKEDR-GFCCVEGCSA-N	245.087	-0.184	50	10	BBGE	
C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cn2)[C@@H]1C	2255517361	CCGWKOVMBCXHIX-XLDPMVHQSA-N	248.091	-0.464	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)c1ccco1	2255550990	QWGDRAQKGUBZIR-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CC(C)n1nccc1CN(C)C(=O)C#CB(O)O	2255672942	MLEVIVUUPBZBPC-UHFFFAOYSA-N	249.079	-0.562	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccc(C#N)cc1	2255678253	BACBCYIZVPNCMZ-VIFPVBQESA-N	242.043	-0.249	50	10	BBGE	
CC[C@@H](CC#N)NC(=O)c1cncc(B(O)O)c1	2255714912	XYAQABZNDVFRDV-JTQLQIEISA-N	247.063	-0.817	50	10	BBGE	
Cc1ncnc(C)c1CNC(=O)[C@@H]1C[C@H]1B(O)O	2255775083	UULVNGWQRWTRRN-PSASIEDQSA-N	249.079	-0.427	50	10	BBGE	
C=CCCCCNC(=O)c1ncc(B(O)O)cn1	2255775562	PTXGQHULSHNODK-UHFFFAOYSA-N	249.079	-0.758	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41	2255785288	SSKSOOPBRMNEAJ-OXBYPLTESA-N	247.103	-0.182	50	10	BBGE	
Cc1cncc(NC(=O)c2cocc2B(O)O)c1	2258131907	AGWNJRONKKQTAR-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CC(C)(C)[C@@H](N)CNc1ccc(B(O)O)cn1	2300055545	PMFKBZMHMRUWJA-VIFPVBQESA-N	237.112	-0.453	50	10	BBGE	
C[C@H](C(N)=O)N(C)CCCCCCC(=O)NN	2300629613	IUXBPXTYEQDIHS-SECBINFHSA-N	244.339	-0.268	50	10	BBGE	
NC[C@H]1CC[C@@H]1Oc1cc(B(O)O)c(F)cn1	2303854605	FDRREGZGLFHFMY-MUWHJKNJSA-N	240.043	-0.983	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN1c1ccc(C=O)c(B(O)O)c1	2317352023	RPYGOOLGAYXSED-PSASIEDQSA-N	248.091	-0.895	50	10	BBGE	
CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1	49815379	MFYSGKODVUNIHX-SSDOTTSWSA-N	213.281	-0.068	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC[C@H]([C@H](C)N)C1	70174627	ULFXLSKDESJMHG-WPRPVWTQSA-N	242.323	-0.787	50	10	BBGE	
Cc1nc2c(cc1C(=O)NN)CN(C)CC2	82480988	NGEHKVGOTQDTQH-UHFFFAOYSA-N	220.276	-0.019	50	10	BBGE	
CN(C)CCN(C)CCCCC(=O)NN	82544085	TWNFTABAPJFCQO-UHFFFAOYSA-N	216.329	-0.360	50	10	BBGE	
NNC(=O)NCCOCC(F)(F)F	82627935	HYTMOZYGLUGSTQ-UHFFFAOYSA-N	201.148	-0.262	50	10	BBGE	
Cn1nc(Cl)c(B(O)O)c1C(F)(F)F	196220808	MILHRQPRAWLVQD-UHFFFAOYSA-N	228.366	-0.228	50	10	BBGE	
O=c1c(B(O)O)cc2c(n1CC1CC1)CCCC2	202992021	NYOVBPSRXTYKGE-UHFFFAOYSA-N	247.103	-0.183	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](N)C1	203222973	OYDUHZNYGHJEJR-JGVFFNPUSA-N	200.286	-0.966	50	10	BBGE	
CCN(CCO)S(=O)(=O)CCCl	232296686	IFUNEEFUKDGJFY-UHFFFAOYSA-N	215.702	-0.131	50	10	BBGE	
CC[C@]1(O)CCC/C(=N\NC(N)=O)[C@H]1O	238311043	XLBAMGWFSVVUOJ-WOIMXHLHSA-N	215.253	-0.303	50	10	BBGE	
N#CC1=CS(=O)(=O)C(CN2CCOCC2)=N1	259909070	BEWOHQYQIXKBNF-UHFFFAOYSA-N	241.272	-0.490	50	10	BBGE	
C=C(C)CS(=O)(=O)NNC(=O)OC	290450163	COSHWXPJEUEJLP-UHFFFAOYSA-N	208.239	-0.247	50	10	BBGE	
NNC(=O)c1cccnc1CN1CCCC1=O	302422362	UIZYJYIYTMLXPG-UHFFFAOYSA-N	234.259	-0.193	50	10	BBGE	
OB(O)c1ccc(-c2cnccn2)s1	306364510	BHSRSNMFDGLCMY-UHFFFAOYSA-N	206.035	-0.115	50	10	BBGE	
Nc1cc2cc(B(O)O)cc(N)c2s1	306901497	OEBPYIGPXFRTJJ-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
COC(=O)NS(=O)(=O)NC/C=C\CCl	308381407	NNXJKOVWRQMBQH-IHWYPQMZSA-N	242.684	-0.028	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N(CC(C)(C)C(=O)NN)C1	310108910	DRQAGPUAXNDPPM-DTWKUNHWSA-N	245.323	-0.916	50	10	BBGE	
CC1(C)OCC[C@@H]1N1CC(=O)OC(=O)C1	328212819	KVNFMBKGEFLGKR-ZETCQYMHSA-N	213.233	-0.061	50	10	BBGE	
O=C(O)CN1CCN(C(=O)CCl)CC1	379485419	XIWKCYLTNJMFMO-UHFFFAOYSA-N	220.656	-0.546	50	10	BBGE	
C[C@@H](Cl)c1n[nH]c(=NCc2nnnn2C)o1	389359133	NQMAGOZXPGREAC-SCSAIBSYSA-N	243.658	-0.073	50	10	BBGE	
C=CCNC(=O)CNC(=O)NC(=O)[C@H](C)Cl	393805414	AXEALFGRYCSGKM-LURJTMIESA-N	247.682	-0.258	50	10	BBGE	
CC(C)(CCN1CCC[C@@H]1CO)C(=O)NN	395597410	SQNWZIVUEWTXDM-SECBINFHSA-N	229.324	-0.151	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1S	396033624	QHGRUDAWFWZBAQ-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
OCc1cc2sc(O)cc2cc1B(O)O	396378952	PSDDCXBZRZQLEI-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1cc(B(O)O)c2scc(O)c2c1	396381228	KWBJSOFOQZVSDP-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
C[C@@H](Cl)C1=C=[N+](CC(C)(C)O)NN1	642851712	FIKQIFBUNSPZGR-ZCFIWIBFSA-N	204.681	-0.027	50	10	BBGE	
C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2CCCC(=O)NN	686194318	XJZBGNPUUWBZAW-LNFKQOIKSA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1COC[C@@H]1N(C)Cc1ccc(B(O)O)cc1	688222338	LVJRYFOYKIDROM-GWCFXTLKSA-N	249.119	-0.167	50	10	BBGE	
CCN(CCN(C)C)[C@H](C)[C@H](C)C(=O)NN	688910685	JFSNMFZWRPHLEC-VHSXEESVSA-N	230.356	-0.116	50	10	BBGE	
Cc1nnc(COc2ccc(B(O)O)cc2)n1C	690828623	PUTGXANLMRXSHI-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
CC1(C)CC[C@H](Cn2ccc(B(O)O)n2)O1	694276690	PFQOJBTZOFETPV-MRVPVSSYSA-N	224.069	-0.480	50	10	BBGE	
Cc1nn(Cc2ccc(C(=O)NN)o2)c(=O)o1	694813721	ADBQSCDZSUYSHA-UHFFFAOYSA-N	238.203	-0.610	50	10	BBGE	
CCN(CC)C1CN([C@@H](COC)C(=O)NN)C1	697809316	SRSKHNNDPUMIKJ-JTQLQIEISA-N	244.339	-0.983	50	10	BBGE	
CO[C@@H](C)CN1[C@H]2CC[C@H]1C(=O)OC2=O	703423709	BOUAUPDJMSTOEI-FXQIFTODSA-N	213.233	-0.062	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](C(F)F)C1	707180478	VKDYGXUUBRJLBU-WDSKDSINSA-N	207.224	-0.048	50	10	BBGE	
CC(C)C[C@@H](SC[C@@H](O)CO)C(=O)NN	710065592	LWYURVOQEPGPQK-JGVFFNPUSA-N	236.337	-0.523	50	10	BBGE	
COC(=O)C1(O)CN(C(=O)[C@H](C)CCl)C1	714439349	OUSJLXUASBLFKO-ZCFIWIBFSA-N	235.667	-0.392	50	10	BBGE	
O=S(=O)(CCCl)NC/C=C\CO	717530828	GRTKJXXOLWJWNR-UPHRSURJSA-N	213.686	-0.307	50	10	BBGE	
C[C@H](CN1CC[C@@H]2[C@@H]1CCCN2C)C(=O)NN	720445056	KEOYKWIHSXGJPX-MXWKQRLJSA-N	240.351	-0.219	50	10	BBGE	
CSCC(=O)NNC(=O)c1cnn(C)c1	735444373	VGXMKPQQXNREGS-UHFFFAOYSA-N	228.277	-0.456	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@@]1(C)CCCO1	768243494	FNDOXYGURCAADH-SNVBAGLBSA-N	230.264	-0.526	50	10	BBGE	
CC(CN1CCCCCC1)=NNC(=O)C(N)=O	777420889	HEUXUZLWDJQYLZ-UHFFFAOYSA-N	240.307	-0.160	50	10	BBGE	
Cc1nnc(NNC(=O)[C@H](O)C(C)C)n1C	856047852	GTOPYAQZVPXISM-SSDOTTSWSA-N	227.268	-0.416	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@H](O)/C=C\C	887152004	RTNGOIBWVIAPLR-WQAKUFEDSA-N	224.260	-0.126	50	10	BBGE	
CC(C)(O)[C@@H](O)C(=O)NNC(=O)CC1CC1	908450895	VJOORPBIMNMYOQ-QMMMGPOBSA-N	230.264	-0.934	50	10	BBGE	
COC(=O)NNC(=O)[C@H](OC)[C@@H]1CCOC1	1347918476	HCVGHPZFNKTZSV-RNFRBKRXSA-N	232.236	-0.575	50	10	BBGE	
O=C(NNC(=O)c1ncccn1)c1ccncn1	1528986609	VDUIHKATIGGKKA-UHFFFAOYSA-N	244.214	-0.659	50	10	BBGE	
CN(NC(=O)[C@H]1CCCn2ncnc21)C(N)=O	1566497309	PQWAOTXUCJVIBD-LURJTMIESA-N	238.251	-0.803	50	10	BBGE	
CN1C[C@H](C(=O)NNc2ccncn2)CC1=O	1635929224	JFUCQZMSMTXLMQ-SSDOTTSWSA-N	235.247	-0.602	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Br)CCN1	1883533392	RJFGNGBSQPQGIV-RITPCOANSA-N	247.092	-0.272	50	10	BBGE	
NCC1CN(C(=O)/C=C/C(=O)Cl)C1	1883647209	JSWHXBABDKMKKC-OWOJBTEDSA-N	202.641	-0.275	50	10	BBGE	
C[C@H](N)[C@@H](O)C(=O)N1CCSSCC1	1884554879	IDDGQAWJJUNURW-NKWVEPMBSA-N	236.362	-0.082	50	10	BBGE	
C=C(Cl)COc1ccc(B(O)O)cn1	1885153851	PCWRUUYSRQDVFP-UHFFFAOYSA-N	213.429	-0.107	50	10	BBGE	
O=S(=O)(NOCCCl)c1cccnn1	1888308785	YIXXPWWKRVZWGT-UHFFFAOYSA-N	237.668	-0.075	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@H](S)C1)S(C)(=O)=O	1888553818	CMOCSWSYONZXIW-IZLXSQMJSA-N	238.334	-0.383	50	10	BBGE	
CO[C@]1(C(F)F)C[C@H](NC(=O)NN)C1	1891911400	OOCYYLJEVSALCZ-KIRWANIJSA-N	209.196	-0.028	50	10	BBGE	
O=C(NC1(CO)CC(O)C1)[C@H]1C[C@@H]1Cl	1893471167	ZOLGWPIPASMODE-BASCLOEGSA-N	219.668	-0.384	50	10	BBGE	
C=C(CN(CC)CCN(C)C)B(O)O	1895148368	IBXYZKNQUBJQQN-UHFFFAOYSA-N	200.091	-0.562	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC[C@@H](O)C[C@@H]1CO	1899604679	DFLQWSSXASBBOX-XLPZGREQSA-N	221.684	-0.042	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2CC[C@H]1C[C@H]2O	1900377972	CRQIMUPACQRYSQ-KXUCPTDWSA-N	227.308	-0.398	50	10	BBGE	
OB(O)c1ccc(OC[C@H]2C[C@@H](F)C2)nc1	1904935095	FOIONFHCPKBCFK-OTSSQURYSA-N	225.028	-0.112	50	10	BBGE	
NNC(=O)c1cc(CN2CCO[C@@H]3C[C@@H]32)on1	1907004934	MPNQGECGIXUFRH-DTWKUNHWSA-N	238.247	-0.749	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@@H]2[C@H]1CO	1910393054	PUBSINIKYKTKGM-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1Cn1ccccc1=O	1927911045	LLCZUYCKMYTROT-JGVFFNPUSA-N	207.233	-0.526	50	10	BBGE	
N#CC1(O)CCN([C@H]2CCONC2)CC1	1934258240	PDKRQFFTBXGVER-VIFPVBQESA-N	211.265	-0.370	50	10	BBGE	
C[C@@H](Cl)C(=O)N(CCO)CCN(C)C	1934409319	ULLNBPHOXCGPDN-MRVPVSSYSA-N	222.716	-0.004	50	10	BBGE	
CNC(=O)N(C)Cc1sccc1B(O)O	1935213974	KNFBQOLRRWFFEL-UHFFFAOYSA-N	228.082	-0.801	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCS[C@@H](CO)C1	1936079286	FAHCDBKRNWYFBK-IWSPIJDZSA-N	245.348	-0.978	50	10	BBGE	
CC[C@]1(C)CC[C@H](CNC(=O)C(=O)NN)O1	1939085876	SSNJHUOUPJJCDY-GMSGAONNSA-N	229.280	-0.560	50	10	BBGE	
CN(C)NC(=O)N[C@H]1CCOC[C@@H]1CC(=O)O	1941552367	LMDNMQZNBIENPG-YUMQZZPRSA-N	245.279	-0.358	50	10	BBGE	
CCCN1CCN(CCOCC(=O)NN)CC1	1941784366	OAPMAWHTYFUHCS-UHFFFAOYSA-N	244.339	-0.980	50	10	BBGE	
NNC(=O)c1ccc(CN2CC(CO)C2)nc1	1944080382	OVTXKPIGDMVUKS-UHFFFAOYSA-N	236.275	-0.891	50	10	BBGE	
CN(C)NC(=O)NC[C@H](C(=O)O)[C@@H]1CCOC1	1944996105	NXKBVRXZUIKYFX-SFYZADRCSA-N	245.279	-0.501	50	10	BBGE	
C[C@@H]1CCCN(CC2(C(=O)NN)CC2)[C@@H]1CO	1945884253	NHXMMZBIOZYICY-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
CS(=O)(=O)c1cccc([C@H](N)[C@H](O)C#N)c1	1952821249	NUGONFRNTDAUNX-ZJUUUORDSA-N	240.284	-0.026	50	10	BBGE	
CS(=O)(=O)CC1CN(C[C@H](O)CCl)C1	1955369186	CCYBNXLRXBNEQK-MRVPVSSYSA-N	241.740	-0.438	50	10	BBGE	
CCc1nc(C(=O)NNC(N)=S)co1	1955518921	KKYMTZUUPPUEGX-UHFFFAOYSA-N	214.250	-0.285	50	10	BBGE	
OB(O)c1ccn([C@@H]2CC[C@H]3C[C@@H]3C2)n1	1957524208	KHZQBAFGAVNCLP-DJLDLDEBSA-N	206.054	-0.076	50	10	BBGE	
CN(CCN1CCOCC1)C[C@H](O)CCl	1961262860	RWJSZJZMVDOXGP-SNVBAGLBSA-N	236.743	-0.150	50	10	BBGE	
CN(Cc1cnn(C)n1)C[C@H](Cl)C(=O)O	1961654956	IFMUPZHMGANWFK-ZETCQYMHSA-N	232.671	-0.061	50	10	BBGE	
CCN(c1ncncc1B(O)O)C(C)C	1961691615	PGTCZFOHJNYVKC-UHFFFAOYSA-N	209.058	-0.609	50	10	BBGE	
OCC(CO)(CO)CI	1962712506	XDKVGTXJPPVEGE-UHFFFAOYSA-N	246.044	-0.615	50	10	BBGE	
Cn1nnc(CNC[C@H]2C[C@@H](CCl)CO2)n1	1975557809	QOXITDCIQOCDLW-JGVFFNPUSA-N	245.714	-0.056	50	10	BBGE	
CC(C)N(CC(=O)NN)Cc1cnn(C)c1	1980749805	MFUFGDSBNNYLBV-UHFFFAOYSA-N	225.296	-0.380	50	10	BBGE	
CN(C(=O)NC(=O)CCl)[C@@H]1CCCNC1=O	1981025331	YOFJIOSUNKQWLD-ZCFIWIBFSA-N	247.682	-0.328	50	10	BBGE	
CON(c1ncc(B(O)O)cc1C)C(C)C	1981468589	FFOOGMASCCAQKM-UHFFFAOYSA-N	224.069	-0.154	50	10	BBGE	
NNC(=O)C(F)(F)CCN1C[C@H](F)[C@@H](F)C1	1984130555	UXZFSZYRAGVBNC-WDSKDSINSA-N	243.204	-0.007	50	10	BBGE	
CN(C[C@@H]1C[C@H]1F)c1ccncc1B(O)O	1987863383	WBMMAAWQYQGLRA-IONNQARKSA-N	224.044	-0.444	50	10	BBGE	
C[C@H](Cn1cc(B(O)O)cn1)N1CCCC1	1988028763	BDHYCUXQDGKPQC-SECBINFHSA-N	223.085	-0.953	50	10	BBGE	
NNC(=O)CCN1CC[C@@H](c2nncs2)C1	1991152222	WUTRSENCVUFSTA-SSDOTTSWSA-N	241.320	-0.293	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)c1ccon1	1991339017	UKKZBOAVHNBYRH-ZETCQYMHSA-N	222.009	-0.495	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996732571	JCVKNUFIUWIMPP-AXFHLTTASA-N	240.351	-0.363	50	10	BBGE	
CN1CCN(CCCCC(=O)NN)[C@@H]2CC[C@H]21	2002916711	PJJSHVLDEKYAJE-GHMZBOCLSA-N	240.351	-0.075	50	10	BBGE	
CC(C)[C@@H]1C(=O)NCCN1[C@@H](C)CC(=O)NN	2003813533	OTAGQZRYYPCYLY-WCBMZHEXSA-N	242.323	-0.789	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(n2ccnn2)C1	2003858968	RJECZYVNEZLEPB-MRVPVSSYSA-N	238.295	-0.707	50	10	BBGE	
CC(C)[C@@H]1CN(C)CCN1C[C@@H](C)C(=O)NN	2004015293	AOKGUUINUYAPKJ-MNOVXSKESA-N	242.367	-0.116	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC2CC(C2)C1	2005013849	BPVBORXPFMNCJO-UHFFFAOYSA-N	232.092	-0.084	50	10	BBGE	
CN(Cc1ccncc1)c1nc(B(O)O)cs1	2005016138	LLUJBAVGJOJIDG-UHFFFAOYSA-N	249.104	-0.146	50	10	BBGE	
NNC(=O)c1occc1CN1C[C@H]2COC[C@@H]21	2013467560	FEUXQBCCCXFXAI-IUCAKERBSA-N	237.259	-0.286	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC2(CCO2)CC1	2019210604	NMDJDAYXCYDKAX-UHFFFAOYSA-N	241.291	-0.591	50	10	BBGE	
O=C(N[C@@H]1CCC=C1B(O)O)N1C[C@@H]2C[C@H]2C1	2020062269	PNHJCGRTWQFKOK-OYNCUSHFSA-N	236.080	-0.252	50	10	BBGE	
COC1(C(=O)N[C@@H]2CCC=C2B(O)O)CCC1	2020069250	ZAFQZURBHKOQEW-SECBINFHSA-N	239.080	-0.228	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2CC[C@@]2(CO)C1	2021654895	LMYCPHNRHOXPFL-JQWIXIFHSA-N	241.335	-0.149	50	10	BBGE	
Cc1nc(Sc2ccnnc2)ncc1B(O)O	2022099682	QXRLOMGZLQHILJ-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
COc1cc(C=O)cc(B(O)O)c1Cl	2060131711	NGXCTHOIKBGPTR-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
O=C(N1CCc2ccc(B(O)O)cc21)C1(F)CC1	2085365623	YTSMRWXIMDLOIT-UHFFFAOYSA-N	249.050	-0.242	50	10	BBGE	
O=C(CCl)N1CC(N2CCOC2=O)C1	2209712374	AYDQICGCALJRFZ-UHFFFAOYSA-N	218.640	-0.112	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC(OC(F)(F)F)C1	2211915076	KJRBOGIXBCQVQK-RXMQYKEDSA-N	241.213	-0.025	50	10	BBGE	
CC[C@@H](CO)N(C)CC1(C(=O)NN)CCC1	2212267617	WSWDURFVYUBEHW-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
OB(O)c1cccnc1NCCC1COC1	2212613117	RZZUABHSUSZXDP-UHFFFAOYSA-N	222.053	-0.790	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1Cn1cncc(F)c1=O	2212634693	NFGCRAZBQYJCSO-RITPCOANSA-N	226.211	-0.992	50	10	BBGE	
CN1CCC[C@H]1COc1ccc(B(O)O)cn1	2215844647	RNZJWOHOJOJNQC-JTQLQIEISA-N	236.080	-0.766	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Nc1ncccc1B(O)O	2217176258	UGSDCOKINVWWKC-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
N[C@@H]1CC12CC(Oc1cc(B(O)O)ccn1)C2	2217191722	FHCRGOFZNHYQLY-INWMGODYSA-N	234.064	-0.980	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@@H]3COC[C@@H]32)c1	2217199212	AYCQTZCVWZNKRU-ILWJIGKKSA-N	234.064	-0.934	50	10	BBGE	
CC1(C)C[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2217203678	YUIAEXNZSMMLAZ-QMMMGPOBSA-N	235.096	-0.574	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCCC[C@H]2O)c1	2217203929	BZKIONFZVQRMCH-VHSXEESVSA-N	236.080	-0.523	50	10	BBGE	
CN1CCCC[C@H]1CNc1ccc(B(O)O)cn1	2223642728	MUWKEOXRYQGOCC-NSHDSACASA-N	249.123	-0.342	50	10	BBGE	
OB(O)c1cnc(=NCC[C@@H]2C[C@@H]2C2CC2)[nH]c1	2223645277	UXUKOLCCVWSMDN-MWLCHTKSSA-N	247.107	-0.574	50	10	BBGE	
C[C@@H]1CN(c2ccc(B(O)O)cn2)C(C)(C)CN1	2223647510	YGKQDPITULQISW-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
C[C@@H]1CN(c2ncccc2B(O)O)C(C)(C)CN1	2223674207	ODAYHKSQEBWJPS-SECBINFHSA-N	249.123	-0.662	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)C1CC2(COC2)C1	2223676403	AQFWBAKRABCPMJ-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)[C@H]1C[C@H](B(O)O)C1	2241480004	HDRFACKLTBDGEW-AXMZGBSTSA-N	201.006	-0.534	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC=C[C@@]1(C)CO	2242609487	UPQWCBNJGGPITD-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N[C@H]1C[C@@H]1F	2243346618	BMBJKJNAYVTCNL-BQBZGAKWSA-N	227.000	-0.892	50	10	BBGE	
O=C(Nc1cnns1)c1ccc(B(O)O)o1	2243349650	OMDALEYRCCUTPK-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
C[C@H](C[C@@H](C)C(F)F)NC(=O)C#CB(O)O	2243361855	IGRLUEYLSKRFMX-RNFRBKRXSA-N	233.023	-0.202	50	10	BBGE	
CC1(NC(=O)C2(B(O)O)CC2)CCOCC1	2243364110	QZZSEKQOJKPWMZ-UHFFFAOYSA-N	227.069	-0.321	50	10	BBGE	
CCOCCN(CC)C(=O)C1(B(O)O)CC1	2243364857	DJZTVKFUHDFOSP-UHFFFAOYSA-N	229.085	-0.122	50	10	BBGE	
O=C(NCCC1CNC1)C1(B(O)O)CCC1	2243366086	XILKDXORWMNMNV-UHFFFAOYSA-N	226.085	-0.891	50	10	BBGE	
C[C@H]1C[C@]1(C)NC(=O)c1ccc(B(O)O)s1	2243408558	PKJMODXQOPGBTP-WKEGUHRASA-N	239.105	-0.044	50	10	BBGE	
CCCCCNC(=O)c1occc1B(O)O	2243410776	HNFZSSBMOCRCOL-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
C#CCN(CCOC)C(=O)C1(B(O)O)CC1	2243411040	MSLZZZPWEZJIRG-UHFFFAOYSA-N	225.053	-0.898	50	10	BBGE	
CC#CCCNC(=O)c1occc1B(O)O	2243411608	XFEITCNDLDWEAN-UHFFFAOYSA-N	221.021	-0.897	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1C(=O)[C@H]1C[C@@H](B(O)O)C1	2243416707	MBEZODUWMOHUFK-MAUMQABQSA-N	227.069	-0.779	50	10	BBGE	
CCC(=O)NCc1ccc(B(O)O)cc1F	2243960856	WEVZIENOBCEXJQ-UHFFFAOYSA-N	225.028	-0.468	50	10	BBGE	
O=S(=O)(CCC1CC1)NCCC#CB(O)O	2244538536	VCCKWCNICJATIL-UHFFFAOYSA-N	245.109	-0.889	50	10	BBGE	
O=C(NCCC#CB(O)O)N1C[C@H]2C[C@H]2C1	2244539804	NDOGTTNDFVAKQL-DTORHVGOSA-N	222.053	-0.947	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CS[C@H]2CCNC2)O1	2244637602	NAFJCRAWHLWFCD-XHNCKOQMSA-N	245.348	-0.381	50	10	BBGE	
OB(O)c1ccnc(NCC[C@@H]2CCO2)c1	2246226062	KOYBFBHZIIQOOU-SECBINFHSA-N	222.053	-0.648	50	10	BBGE	
CN(C)NC(=O)NC[C@@H]1CC[C@H](C(=O)O)CO1	2246545378	BGXJTHYGQJFDSF-YUMQZZPRSA-N	245.279	-0.358	50	10	BBGE	
C=C1CC(CO)(Nc2ccc(B(O)O)cn2)C1	2246869312	AZQNVWSBPSUSHF-UHFFFAOYSA-N	234.064	-0.746	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)C1CC=CC1	2247740324	IYBSWDHBYKZYQP-UHFFFAOYSA-N	234.064	-0.515	50	10	BBGE	
CN(C[C@@H]1CCC[C@H]2C[C@H]21)C(=O)C#CB(O)O	2247740602	MWMMOELQYSQTAU-GARJFASQSA-N	235.092	-0.104	50	10	BBGE	
O=C(N1CCO[C@@H](CF)C1)C1(B(O)O)CCC1	2247750936	QALXYEFDPACYSL-QMMMGPOBSA-N	245.059	-0.420	50	10	BBGE	
O=C(NCC[C@@H]1CCC[C@H]1O)C1(B(O)O)CC1	2247751267	VROSQQDXAUBALE-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCCCCO1	2247753464	HIWTXLIFNRXJCB-UHFFFAOYSA-N	239.036	-0.483	50	10	BBGE	
C[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1CN	2247753921	KIDFRQXXZAAIJG-RKDXNWHRSA-N	240.112	-0.563	50	10	BBGE	
CC1(C)CCN(C(=O)C2(B(O)O)CC2)CCN1	2247754649	HBDJTSYGIDBPQO-UHFFFAOYSA-N	240.112	-0.406	50	10	BBGE	
O=C(N1CC(F)(F)C[C@@H]1CO)C1(B(O)O)CC1	2247756490	NHICJLKQQJAOLL-ZCFIWIBFSA-N	249.022	-0.778	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@]2(CCO2)C1	2247787408	OUERTYYNRYWQGZ-WCABBAIRSA-N	239.080	-0.369	50	10	BBGE	
C[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCNC1	2247787810	VCRVHCZTEPQDNZ-RGOKHQFPSA-N	240.112	-0.646	50	10	BBGE	
O=C(NCc1ccc(O)nc1)[C@H]1C[C@H]1B(O)O	2247798795	XGYQHOVCOJSMMJ-JGVFFNPUSA-N	236.036	-0.734	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCCCC12COC2	2247799484	DPDJJMWRMXAQTQ-DTWKUNHWSA-N	239.080	-0.369	50	10	BBGE	
C[C@H](N)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1B(O)O	2247805048	AMWKBKXJJQQOCL-QEYWKRMJSA-N	240.112	-0.422	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)[C@H]1C[C@H]1B(O)O	2247805248	JXXFRJWDYKVXHP-UTINFBMNSA-N	240.112	-0.600	50	10	BBGE	
N[C@H]1CCC[C@H](NC(=O)C2CC(B(O)O)C2)C1	2247805778	LANGQYLIASFUKG-QLEHZGMVSA-N	240.112	-0.375	50	10	BBGE	
N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2B(O)O)CC(F)(F)C1	2247808603	VNOHBABYZZDAKT-ACZMJKKPSA-N	248.038	-0.956	50	10	BBGE	
CNC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247808983	WUCZIXQPNZSRAE-AEJSXWLSSA-N	240.112	-0.693	50	10	BBGE	
COCC[C@@H]1CCCN(C(=O)C#CB(O)O)C1	2247847868	CSLURXDZYBPFDW-JTQLQIEISA-N	239.080	-0.723	50	10	BBGE	
CCCN(C(=O)C#CB(O)O)[C@@H]1CCCOC1	2247849072	UVPRTUDMANRZQB-SNVBAGLBSA-N	239.080	-0.581	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC12CCC2	2247851274	DPYSSYWKWBPFHS-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
O=C(NCCCCCCO)[C@H]1C[C@@H](B(O)O)C1	2247854452	CTLHNXLWHWLVSR-AOOOYVTPSA-N	243.112	-0.092	50	10	BBGE	
NC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C1CCCC1	2247854773	IGCWJVNMRUCBNK-BBBLOLIVSA-N	240.112	-0.517	50	10	BBGE	
C#CCN(C)C(=O)c1ccc(F)c(B(O)O)c1	2247868891	ZBKHRRSUJGZESB-UHFFFAOYSA-N	235.023	-0.789	50	10	BBGE	
CC(C)ONC(=O)c1c(F)cccc1B(O)O	2247874418	LZUUOTBTYRITNC-UHFFFAOYSA-N	241.027	-0.425	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CCC1	2247880242	YJSJRQLAEZMLCU-BDAKNGLRSA-N	241.096	-0.075	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C[C@@H]1O	2247886440	BPZIRWNEYXBZFV-CIUDSAMLSA-N	241.096	-0.531	50	10	BBGE	
CC(C)(CN1C(=O)[C@H]2CC[C@H]2C1=O)C(=O)NN	2248080621	IPJBJIGALYWRCL-KNVOCYPGSA-N	239.275	-0.603	50	10	BBGE	
CC[C@@H](NC(=O)c1cc(B(O)O)co1)C(F)F	2249433322	LDDUHGQDNNKLEB-ZCFIWIBFSA-N	247.006	-0.267	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249592764	OCTUNLHMRKIBMZ-HPHBORHKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2ncc(B(O)O)cn2)C1	2255471060	NVKBAROUSSDPFW-YUMQZZPRSA-N	249.079	-0.973	50	10	BBGE	
C[C@H](NC(=O)c1cc(B(O)O)c[nH]1)C1CC=CC1	2255477051	UNKLAOQQDBENHR-QMMMGPOBSA-N	248.091	-0.221	50	10	BBGE	
O=C(N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1occc1B(O)O	2255491821	BYKNVXHSGHTDBI-FTZBPAMFSA-N	247.059	-0.656	50	10	BBGE	
C=C[C@H](NC(=O)c1cc(B(O)O)cn1C)C1CC1	2255505942	QRCPSNVMYDLESA-JTQLQIEISA-N	248.091	-0.601	50	10	BBGE	
C=CC=CCCNC(=O)c1cncc(B(O)O)c1	2255713567	CXCDINFQAOZBEH-UHFFFAOYSA-N	246.075	-0.377	50	10	BBGE	
CC1=CCN(C(=O)c2cncc(B(O)O)c2)CC1	2255713677	FTPGVQVLILNBCK-UHFFFAOYSA-N	246.075	-0.446	50	10	BBGE	
CO[C@H]1C[C@@H]1NC(=O)c1cc(C)ccc1B(O)O	2255737110	ZOXSXDRCCADEIX-QWRGUYRKSA-N	249.075	-0.808	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1cocc1B(O)O	2258136356	KWXPYQQRCRTHAR-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
CN1CCN(C(=O)CCl)C[C@H](CO)C1	2296574308	LAAMTPCLRCVMAZ-MRVPVSSYSA-N	220.700	-0.392	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCCN[C@@H]21)[C@@H]1C[C@H]1B(O)O	2298371601	PRRKGYPCUUWCNN-LOLPMWEVSA-N	238.096	-0.894	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@@H]1O)[C@H]1C[C@H]1B(O)O	2298375094	YQSVKWWNHCLFHF-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
CC[C@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CO1	2298377521	USINMKNRPQDLSZ-TURQNECASA-N	241.096	-0.077	50	10	BBGE	
C[C@@H](O)CN(C(=O)[C@@H]1C[C@@H]1B(O)O)C1CCC1	2298651138	BLLYFWYSAHJKSV-QNSHHTMESA-N	241.096	-0.389	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@H](C)CCC(=O)NN	2301394543	ACKPPTXPEJOPBT-SECBINFHSA-N	244.339	-0.445	50	10	BBGE	
CC(C)=C(CN1CCn2nncc2C1)B(O)O	2301960946	GGSGSSBSYAQANJ-UHFFFAOYSA-N	236.084	-0.558	50	10	BBGE	
C[C@H]1OC2(C(=O)N3CC[C@H](B(O)O)C3)CC1C2	2303104057	IMVWPVDAIXPCKP-AZPRYWSXSA-N	239.080	-0.371	50	10	BBGE	
CC[C@](C)(CN1[C@H]2C[C@H]1CN(C)C2)C(=O)NN	2303428186	GDABEZFWXAHTQU-JBLDHEPKSA-N	240.351	-0.219	50	10	BBGE	
C[C@H](CC(=O)NN)n1nnc2ccccc2c1=O	2308072600	OHMZXSURMZRFPE-SSDOTTSWSA-N	247.258	-0.268	50	10	BBGE	
Cc1cnc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(B(O)O)c1	2309544022	NWNOHTIRPNNKGK-GMOBBJLQSA-N	244.103	-0.086	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]2C[C@H]12)c1cc(B(O)O)co1	2313081422	KMTWQUTWYGJDNW-MRTMQBJTSA-N	249.075	-0.265	50	10	BBGE	
Nc1nc2c(ncn2CCCl)c(=O)[nH]1	3596128	NEMQOZLESZCXQK-UHFFFAOYSA-N	213.628	-0.059	50	10	BBGE	
O=C1O[C@H](CO)[C@H](O)[C@@H]1Br	34206459	NDKOWOJLJMQPQS-UZBSEBFBSA-N	211.011	-0.972	50	10	BBGE	
COC(=O)[C@H]1CCC(=O)N1C(=O)CCl	39652219	ZJXLUERHPDXFGJ-RXMQYKEDSA-N	219.624	-0.084	50	10	BBGE	
O=C(CN1CCOCC1)N/N=C/c1ccccn1	59472776	HJTZIKWGNXKKCG-NTEUORMPSA-N	248.286	-0.136	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCCN(C)CC1	82466518	AURAFLBXGMYWTD-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CCNCC1	86313661	YGTDQYQAFSRHQP-RKDXNWHRSA-N	228.340	-0.315	50	10	BBGE	
CN(C)NC(=O)N1CSC[C@@H]1C(=O)O	149151928	ARYDNVCZBLUOID-RXMQYKEDSA-N	219.266	-0.368	50	10	BBGE	
Cn1ccn(Cc2ccoc2C(=O)NN)c1=O	149369086	HNPJGLLLEJFHKV-UHFFFAOYSA-N	236.231	-0.568	50	10	BBGE	
CC1(C)[C@H](O)CCN1C(=O)NCN=C=O	170294201	KIBIKWXTNPGVID-SSDOTTSWSA-N	213.237	-0.166	50	10	BBGE	
COC(=O)NNC(=O)Cn1nc(C)cc1C	192093479	GXLWALHQBQFXIC-UHFFFAOYSA-N	226.236	-0.113	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\NC[C@@H](C)O	216974624	SLBYYXVOHUMBBI-XZZQCUQZSA-N	211.265	-0.110	50	10	BBGE	
NCCOCCSS(=O)(=O)O	220075309	VKTBENAZRGETPS-UHFFFAOYSA-N	201.269	-0.502	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](CCCN2C)C1	221029388	DILCNQVFANRJKE-OUAUKWLOSA-N	240.351	-0.219	50	10	BBGE	
COC[C@@H]1CCN([C@@H](C)C(=O)NN)C1	227100833	IGQQFWCORDNWBR-JGVFFNPUSA-N	201.270	-0.667	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H](C)N(C)[C@@H](C)C1	228858317	ZXOHEJBWPYITTQ-LPEHRKFASA-N	228.340	-0.221	50	10	BBGE	
CCNC(=O)CCNS(=O)(=O)CCCl	232301198	UEUQKVCNNHIDLZ-UHFFFAOYSA-N	242.728	-0.329	50	10	BBGE	
N#Cc1nccn1Cc1cccc(C(=O)NN)n1	236255427	WHBLXJGXTWEBMW-UHFFFAOYSA-N	242.242	-0.198	50	10	BBGE	
NNC(=O)[C@@H](N)c1ccc2c(c1)OCCO2	258961378	GVIQPAHDJOZWQP-VIFPVBQESA-N	223.232	-0.553	50	10	BBGE	
CC[C@H]1CN([C@@H](C)C(=O)NN)CCCO1	300828364	DZKSPOTZXVJIIR-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
NC(=O)[C@H]1CCC[C@@H]1NC(=O)CCl	306551856	ISJIITYKGLKIAG-WDSKDSINSA-N	204.657	-0.005	50	10	BBGE	
C[C@H](N)C(=O)NNC(=O)c1ccccc1O	309287030	OXWWBXHOHHCYJC-LURJTMIESA-N	223.232	-0.500	50	10	BBGE	
COC1CN(Cc2cc(B(O)O)ccc2C)C1	313823443	UMEAKBFDPNRCHS-UHFFFAOYSA-N	235.092	-0.495	50	10	BBGE	
O=C/C(O)=C/NC(=O)N/C=C(/O)C=O	383971312	OEVZIFOFOVNWLK-SOSXVSKCSA-N	200.150	-0.518	50	10	BBGE	
CN(C)CCO[C@H]1CNNC(=O)[C@H]1Cl	388683249	HUPOZHAWIPMTEB-BQBZGAKWSA-N	221.688	-0.825	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@@H](O)C1	395593925	NYNFQCWDXPDYCP-SFYZADRCSA-N	215.297	-0.542	50	10	BBGE	
CC(=O)Cc1cccc(/C=C/C(=O)O)c1B(O)O	396138016	NTNHVWQHECCVBP-AATRIKPKSA-N	248.043	-0.404	50	10	BBGE	
O=C(O)c1c(O)cc(B(O)O)c2ccsc12	396386797	ROWCCGPRWHAKQG-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
N[C@H](c1ccc(B(O)O)cc1)[C@@H](O)C1CC1	396440955	FEGTYLCDXJBLPV-MNOVXSKESA-N	221.065	-0.863	50	10	BBGE	
C[C@H]1CC[C@H](O)CN1[C@@H](C)[C@@H](C)C(=O)NN	401902445	DZPGWAYYNSKNGH-JXUBOQSCSA-N	229.324	-0.154	50	10	BBGE	
CC(C)[S@@](=O)Nc1ccccc1B(O)O	405163393	ISRQNIDXYBVNCY-OAHLLOKOSA-N	227.094	-0.150	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](C)[C@@H](O)[C@H](C)C1	688122237	OHPJVIYLMCURTF-ZRUFSTJUSA-N	243.351	-0.050	50	10	BBGE	
CCN1C(=O)CN(C[C@@H](O)CCl)C1=O	688910104	FZGAMAOUYGMCAJ-LURJTMIESA-N	220.656	-0.130	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)C[C@H](O)C1CC1	690156132	RENOSMQGCWCNMX-CBAPKCEASA-N	215.297	-0.542	50	10	BBGE	
CN(C)C(=O)C(C)(C)NS(=O)(=O)CCl	698052849	ANKVJHASYNJXKO-UHFFFAOYSA-N	242.728	-0.031	50	10	BBGE	
C[C@@H](NC(=O)CBr)[C@H](O)CO	698872606	LIKABDCTLCRUPU-RFZPGFLSSA-N	226.070	-0.761	50	10	BBGE	
CN1C[C@H]2CN(C(=O)NC(=O)CCl)C[C@@H]2C1	705667140	HRHXPLLJRXBXID-YUMQZZPRSA-N	245.710	-0.045	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ncnn1C	707411230	MDSDECOATYIJEQ-ZETCQYMHSA-N	226.284	-0.985	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H]2C[C@@H](O)C[C@H]1C2	710479954	WAPYUOGIWDQPHQ-FNCVBFRFSA-N	213.281	-0.790	50	10	BBGE	
CC1(O)CN(Cc2cnc(C(=O)NN)s2)C1	711170570	MEQWLWFDPSJXKX-UHFFFAOYSA-N	242.304	-0.687	50	10	BBGE	
C[C@H](Cl)C(=O)NC(=O)N(C)[C@@H](C)C(N)=O	711209673	XSDUFILWPNCBAM-WHFBIAKZSA-N	235.671	-0.345	50	10	BBGE	
NNC(=O)CCCCN1C[C@@H]2[C@H](C1=O)C2(F)F	715571119	WXZMKVXRLPSHHG-HTRCEHHLSA-N	247.245	-0.130	50	10	BBGE	
OB(O)c1ccccc1CN1C[C@@H]2C[C@H]1CO2	718259483	OAVBCMLXJAQQGD-QWRGUYRKSA-N	233.076	-0.661	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)CC1CSC1	718296248	WRTZELVCTJOYMI-MRVPVSSYSA-N	233.337	-0.714	50	10	BBGE	
C[C@H]1CCN(Cc2nsc(C(=O)NN)n2)C1	724348919	DQCRXEMTAFWMCY-LURJTMIESA-N	241.320	-0.017	50	10	BBGE	
O=C1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC(=O)O1	724603819	JIEISSRPCGAUHL-VGMNWLOBSA-N	241.243	-0.824	50	10	BBGE	
COCCCNC(=O)NNC1=NCC(O)=C1	747629664	CMVAKPQCBYBBLW-UHFFFAOYSA-N	228.252	-0.319	50	10	BBGE	
O=C(NNC(=O)C1(O)CCC1)[C@@H]1CCCS1	819667636	VBBQOWGMBYKRCU-ZETCQYMHSA-N	244.316	-0.056	50	10	BBGE	
CC[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)O	830690047	FVHWPVJRJZNUPU-RNFRBKRXSA-N	214.265	-0.049	50	10	BBGE	
CC(=O)N1CC(C(=O)NN=c2cc[nH]cc2C)C1	862501674	RGADASJMUCEXCH-UHFFFAOYSA-N	248.286	-0.267	50	10	BBGE	
C=C(CCN(C)C)C(=O)NN(C)[C@H](C)CO	911445618	ZOUIDDGWMXFXMO-SNVBAGLBSA-N	229.324	-0.162	50	10	BBGE	
CCC1(CC(=O)NNC(C)=O)COC1	929183383	VCERWESWRXOGDQ-UHFFFAOYSA-N	200.238	-0.030	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1C#N	1130344245	VTIAKUZPRKWHSC-LURQLKTLSA-N	237.259	-0.282	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCOC1)c1ncon1	1134614313	JAMFYBGXYNWVOQ-LURJTMIESA-N	240.219	-0.743	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N(C)c1nn[nH]n1	1557697753	RBXZNJSIZIXRQQ-AATRIKPKSA-N	222.208	-0.394	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)Cc1ccsc1	1586097416	JIVXWQAYKSPSLN-QMMMGPOBSA-N	240.284	-0.015	50	10	BBGE	
CCc1ncoc1C(=O)NNC(=O)CN(C)C	1638295773	CJOHHWQGIXFGBV-UHFFFAOYSA-N	240.263	-0.440	50	10	BBGE	
C=C[C@](C)(O)C(=O)NNC(=O)c1ncccn1	1643045723	DOXGIDJKEDDFCJ-JTQLQIEISA-N	236.231	-0.825	50	10	BBGE	
C[C@@H](NC(=O)CCl)c1nc(=O)o[nH]1	1875878642	HWJVHAHIGPZXTB-GSVOUGTGSA-N	205.601	-0.221	50	10	BBGE	
C[C@@H]1C[C@H]1COc1nc(B(O)O)cs1	1877781470	OFTAUJABTXJORW-RITPCOANSA-N	213.067	-0.142	50	10	BBGE	
NC(=O)CCNC(=O)[C@H]1C[C@H]1Br	1881367858	YROONUUQBAWQCQ-CRCLSJGQSA-N	235.081	-0.239	50	10	BBGE	
N#CC1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O	1882693226	CKIWWXNBCZKUMS-DHBOJHSNSA-N	201.247	-0.019	50	10	BBGE	
CSSCCNC(=O)[C@H](N)CCO	1883255446	IMLUCWHJBBXFMP-ZCFIWIBFSA-N	224.351	-0.177	50	10	BBGE	
OC[C@@H]1[C@H](O)[C@@H](O)CN1CCCCl	1883965136	PGYWBUVFEOJETN-CSMHCCOUSA-N	209.673	-0.986	50	10	BBGE	
O=C1CN([C@H]2COC[C@@H]2F)CC(=O)O1	1888861974	MIDXJUZPFKUBPB-WDSKDSINSA-N	203.169	-0.891	50	10	BBGE	
C=C(COC[C@H]1CSCCO1)B(O)O	1891583707	ACUVREPTJIKAAH-QMMMGPOBSA-N	218.083	-0.297	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CC(C)C	1892436284	NHOHNNURNSOMIQ-UHFFFAOYSA-N	201.270	-0.259	50	10	BBGE	
COCC(COC)CO[C@H](C)CC(=O)NN	1900893360	RWMYZHNLKAGXRR-MRVPVSSYSA-N	234.296	-0.320	50	10	BBGE	
C[C@H]1CC[C@@](N)(C(=O)NN(C)S(C)(=O)=O)C1	1901377937	UYJRFBITPLCPBN-CBAPKCEASA-N	249.336	-0.574	50	10	BBGE	
C[C@@H](C(=O)NC1CC1)N1CC[C@H](B(O)O)C1	1902505837	MEKRINWRCWHDRP-YUMQZZPRSA-N	226.085	-0.798	50	10	BBGE	
CC[C@@](C)(CN1CCCS1(=O)=O)C(=O)NN	1902733211	MOJWQQVTFBVYCM-VIFPVBQESA-N	249.336	-0.572	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CN2CCSC2)O1	1902760386	ZOOAXQLPESKTHN-BDAKNGLRSA-N	245.348	-0.080	50	10	BBGE	
Cc1scc(C(=O)N2CC[C@@H]2C)c1B(O)O	1902866318	VRUNYGXEFYNKMX-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@H]2CC[C@H]1[C@@H](O)C2	1904370512	PHAQQHBCHYIDDQ-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COCC1=CCCOC1	1905025917	KIDNMPDYLDHIFC-UWVGGRQHSA-N	226.276	-0.024	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1)[C@@H]1C[C@@H]1F	1907456182	UPAHNLDMTXIDMD-ZJUUUORDSA-N	237.039	-0.659	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC=C[C@H]1CO	1909056275	NORMRRRBXNFZFI-DTWKUNHWSA-N	213.281	-0.622	50	10	BBGE	
CN(CCCCC(=O)NN)S(=O)(=O)C1CC1	1913796134	NRRACYUSERFHAO-UHFFFAOYSA-N	249.336	-0.429	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@@H](Cl)C(=O)O	1913809890	WGDDJNGAIITEML-RXMQYKEDSA-N	229.685	-0.040	50	10	BBGE	
NNC(=O)CCCCN1CC2(CCOC2)C1	1915590560	QFLZHQFJIYGJMF-UHFFFAOYSA-N	227.308	-0.131	50	10	BBGE	
NNC(=O)CCN1C[C@H](O)CC2(CC2)C1	1926419099	FNDOBFRQXNLKJU-MRVPVSSYSA-N	213.281	-0.787	50	10	BBGE	
COC[C@@H](CCl)NC(=O)Cn1cnnn1	1928697922	HUQQHZNHYVRLJX-ZCFIWIBFSA-N	233.659	-0.957	50	10	BBGE	
Cc1ccc(C(=O)NNCCO)c(O)n1	1929836662	NBWPBPJENGRUOM-UHFFFAOYSA-N	211.221	-0.678	50	10	BBGE	
C=C1CON(CC(F)(F)C(=O)NN)C1	1930177401	LELVQMSZHDHXET-UHFFFAOYSA-N	207.180	-0.585	50	10	BBGE	
CN(C)C[C@@H](Cl)Cc1nnnn1C	1934424082	RMRYYPZLPGGSTO-LURJTMIESA-N	203.677	-0.078	50	10	BBGE	
CCO[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936083597	JCYOGNRNRKRYKA-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CCCCN(CCO)C[C@@H]1C[C@H]1C(=O)NN	1936087867	HOSMYBVIHQZLAO-VHSXEESVSA-N	229.324	-0.293	50	10	BBGE	
CN1CCO[C@H](CN[C@H]2CN(C)C[C@H]2Cl)C1	1937205241	TZCPMMNAUUUWMF-MXWKQRLJSA-N	247.770	-0.172	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CCCOC1	1938247357	RVLDJHRIZXLBGL-VIFPVBQESA-N	227.308	-0.133	50	10	BBGE	
CC(C)CN(CCO)C[C@H]1C[C@@H]1C(=O)NN	1939256445	TXKPIJKMNNBKRC-ZJUUUORDSA-N	229.324	-0.437	50	10	BBGE	
CC[C@@H]1COC[C@@H]1N(C)C[C@H]1C[C@H]1C(=O)NN	1941086782	TXVCVIRETUWAOG-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
CN(CCOCC(=O)NN)[C@H]1CCCC[C@@H]1O	1941775519	PJRDPBOQTAPGTH-UWVGGRQHSA-N	245.323	-0.772	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)O1	1941780815	UJFUQUNJJKWMKW-ZJUUUORDSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1CN(CCOCC(=O)NN)C[C@@H](C)N1C	1941784292	MRQUCAGWGWAKSG-AOOOYVTPSA-N	244.339	-0.983	50	10	BBGE	
CC[C@H]1CN(CCOCC(=O)NN)CCCO1	1941784758	VIBZUOSOYMPIKH-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
Cn1nc2ccccc2c1C(=O)NNCCO	1944220620	XFCXAUZQFVTSDF-UHFFFAOYSA-N	234.259	-0.200	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@H]1C	1947052842	UUCVOAIYFYIGLO-BBBLOLIVSA-N	245.323	-0.652	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)C[C@@H]1C[C@H]1C(=O)NN	1947203455	PPRZJDDWLNRGNU-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CCN(CC(=O)NC)C[C@@H](O)CCl	1954820176	CXLPFTIOHIHLJX-ZETCQYMHSA-N	208.689	-0.346	50	10	BBGE	
CC1(C)CO[C@H](C(=O)NNC(N)=O)C1	1954963923	MYNHSJZIWDQKCN-YFKPBYRVSA-N	201.226	-0.499	50	10	BBGE	
C[C@@H]1C[C@H](CC(=O)NNC(N)=O)CO1	1955381495	XNNAJNDZPHAPAX-PHDIDXHHSA-N	201.226	-0.499	50	10	BBGE	
CC[C@H](Cl)C(=O)NCCc1nn[nH]n1	1955556774	BEFJRDJBYQGBQH-YFKPBYRVSA-N	217.660	-0.124	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(CC=CCCl)C[C@@H]12	1960156493	UDLFRBNZQAWPMO-OCAPTIKFSA-N	228.679	-0.014	50	10	BBGE	
NNC(=O)C(=O)N[C@@H]1[C@H]2CCCCC[C@H]21	1960590677	VMRPMVJOMGJYBM-JIGDXULJSA-N	211.265	-0.329	50	10	BBGE	
CCO[C@H]1CC[C@H](C(=O)NNC(N)=O)C1	1962375467	DSZXIPOOTPLJND-BQBZGAKWSA-N	215.253	-0.109	50	10	BBGE	
CCCOCCC(=O)N1CC[C@H](B(O)O)C1	1972415794	XFXLOWVUDCVZIP-VIFPVBQESA-N	229.085	-0.122	50	10	BBGE	
NNC(=O)N[C@H]1CO[C@@]2(CCCOC2)C1	1975213824	GJKCDBCGNDKVMK-APPZFPTMSA-N	215.253	-0.503	50	10	BBGE	
NNC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1	1981083757	WGDMFWHBPWBQCN-VHSXEESVSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	1981998207	ZNGMPLFPZBQRDV-XAMCCFCMSA-N	231.246	-0.048	50	10	BBGE	
O=S(=O)(CCF)Nc1cccc(B(O)O)c1	1983762693	CVCDTWCWZJVIBI-UHFFFAOYSA-N	247.056	-0.922	50	10	BBGE	
OB(O)c1ccn(CCCOCC2CC2)n1	1986617517	OFSGBONYEWTCSA-UHFFFAOYSA-N	224.069	-0.620	50	10	BBGE	
C=C(CCl)CN1CC([C@@H]2NC(=O)NC2=O)C1	1986669381	KSNHLEKDCSYPPT-QMMMGPOBSA-N	243.694	-0.079	50	10	BBGE	
COCC(CCO[C@H](C)C(=O)NN)COC	1987521451	CMTRCAQHDMSGFN-MRVPVSSYSA-N	234.296	-0.320	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CC2(CC2)C1	1988005860	RQBTXUGFXPBMQW-UHFFFAOYSA-N	222.028	-0.499	50	10	BBGE	
CCOCCCN(C)CC(=O)NNC(C)=O	1990774250	GOTQTZZVZQMSKO-UHFFFAOYSA-N	231.296	-0.488	50	10	BBGE	
CC(F)(F)[C@H]1C[C@H]1C(=O)NCC=CB(O)O	1991332696	BADDHEOXTLJJRV-RQJHMYQMSA-N	233.023	-0.038	50	10	BBGE	
O=C(Cl)C=CC(=O)NCC[C@H]1CNCCO1	1991650696	FABHNLKNGKFXQO-QMMMGPOBSA-N	246.694	-0.197	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NC[C@]1(CO)CCCO1	1991714276	DZGWGDOZOCXDMQ-PBKGFPTLSA-N	247.678	-0.034	50	10	BBGE	
N=c1nc(CCl)[nH]c(=NC[C@@H]2CC[C@@H]2O)[nH]1	1994680266	UOJVBJQACUHGAZ-WDSKDSINSA-N	243.698	-0.372	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@H]12	1995620237	MYSPPQXHLWVXQZ-WNUALAQTSA-N	221.304	-0.192	50	10	BBGE	
CCNC(=O)[C@H]1CCCN1CCCC(=O)NN	2003619400	CTSXDWZFDQYPHT-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
CCN1CCC(=O)N(C[C@@H](C)C(=O)NN)C1=O	2004303474	PGEKRVIIILAYMV-SSDOTTSWSA-N	242.279	-0.713	50	10	BBGE	
OB(O)c1cnc(N2CC3CCC2CC3)nc1	2004911764	KNRFRRASLXVNEX-UHFFFAOYSA-N	233.080	-0.465	50	10	BBGE	
CCCCOCCn1cc(B(O)O)ccc1=O	2008840518	NRUPUXUMDCSZOS-UHFFFAOYSA-N	239.080	-0.655	50	10	BBGE	
CC(C)(C)OCCn1cccc(B(O)O)c1=O	2008844645	QNEMDIVVHNPBSI-UHFFFAOYSA-N	239.080	-0.657	50	10	BBGE	
C[C@H](CO)CN(C)C[C@H]1CC[C@@H](C(=O)NN)C1	2010835748	RUTDRNDJFBWWQO-GARJFASQSA-N	243.351	-0.047	50	10	BBGE	
C[C@]1(CCO)CCN(CC2(C(=O)NN)CC2)C1	2014778725	GNJQZSFQQHBXMS-LLVKDONJSA-N	241.335	-0.149	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@@H]1C1CCOCC1	2017109423	FVZMVWMUYDBOLA-SECBINFHSA-N	241.291	-0.606	50	10	BBGE	
C[C@H]1CCN(CC2(C(=O)NN)CC2)C[C@]1(C)O	2017233421	FXMLGGOCAFYHFE-ONGXEEELSA-N	241.335	-0.151	50	10	BBGE	
CC(C)CN(C[C@H]1C[C@@H]1C(=O)NN)C1COC1	2018180145	SJQSPRFANXHCIF-KOLCDFICSA-N	241.335	-0.031	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@H](O)C1(C)C	2020206367	PCOCXBGYIQRRDU-BDAKNGLRSA-N	245.323	-0.773	50	10	BBGE	
Cc1cccc(O)c1C(=O)NCC#CB(O)O	2021157378	LHKZYBGXKNTMMA-UHFFFAOYSA-N	233.032	-0.554	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1COCC1COCCOC1	2024300386	PUIUWAFSRLLJFA-ZJUUUORDSA-N	244.291	-0.708	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)N1C[C@H]2C[C@@H]2C1	2028427904	YOZVUZIYZBIXNV-HTQZYQBOSA-N	247.063	-0.755	50	10	BBGE	
NNC(=O)c1cccc(OCCN2CCC2=O)c1	2030190213	AGMVYSNVJDIDHH-UHFFFAOYSA-N	249.270	-0.099	50	10	BBGE	
CN(Cc1cnco1)Cc1ccccc1B(O)O	2043638756	KPVCINKTEWGTFI-UHFFFAOYSA-N	246.075	-0.014	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H](N2CCC2)C1	2052490337	BGESXMOYDJVVCY-JTQLQIEISA-N	247.107	-0.954	50	10	BBGE	
COC[C@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	2052493607	DNIDLGFRGGIFAW-BXKDBHETSA-N	248.091	-0.766	50	10	BBGE	
Cc1ncc(B(O)O)c(-n2cnc(C(C)C)n2)n1	2052597034	NBXUCSAXHAHPBX-UHFFFAOYSA-N	247.067	-0.831	50	10	BBGE	
COc1nc(N(C2CC2)C2CC2)ncc1B(O)O	2052620979	AEBJTJYYMWTHTA-UHFFFAOYSA-N	249.079	-0.704	50	10	BBGE	
C#C[C@H](NC(=O)c1ccccc1B(O)O)C1CC1	2079008399	JADIXDHYLJPIQZ-LBPRGKRZSA-N	243.071	-0.492	50	10	BBGE	
Cn1cncc1COCc1ccc(B(O)O)cc1	2080334030	YSBJTYVINHSEJC-UHFFFAOYSA-N	246.075	-0.183	50	10	BBGE	
C#CC[C@@H](C)C(=O)NCc1ccc(B(O)O)cc1	2084678708	LOUYDUIBZRRCIG-SNVBAGLBSA-N	245.087	-0.358	50	10	BBGE	
OB(O)c1cnc(O[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)nc1	2086995911	UXBPAVHULSZRIG-ORWYPTJLSA-N	244.059	-0.955	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC=C[C@@]1(C)CO	2211782776	RBKNRFSPIXXXGP-ONGXEEELSA-N	227.308	-0.232	50	10	BBGE	
C=C1CC(N(C)c2ncccc2B(O)O)C1	2212600627	DRPBKKNTBHRSGN-UHFFFAOYSA-N	218.065	-0.084	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1COCCn1ccnc1	2215776667	OFNUOAUIAWAAEF-UWVGGRQHSA-N	238.291	-0.084	50	10	BBGE	
C[C@H](O)[C@H]1CCN1CC1(C(=O)NN)CCCC1	2216881582	LXVARXSPWNCHLE-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@@H](CCO)Nc1ncc(B(O)O)cn1	2217181673	SUZSVFCIXDXNQP-VIFPVBQESA-N	239.084	-0.881	50	10	BBGE	
CC[C@H](N)C(C)(C)Oc1ccc(B(O)O)cn1	2217189187	ZGFPBTLVKWINPT-VIFPVBQESA-N	238.096	-0.344	50	10	BBGE	
C=CC[C@@H](CN)COc1cc(B(O)O)ccn1	2217191233	RKWPZLXBVKMTAH-VIFPVBQESA-N	236.080	-0.709	50	10	BBGE	
C[C@@H]1CC[C@@H](Nc2ccc(B(O)O)cn2)CN1	2217201820	ZTKWQFMOHCHACF-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)C(C)(C)CO	2217204168	GGQXTLMRDGYQCZ-QMMMGPOBSA-N	238.096	-0.420	50	10	BBGE	
CC(C)(Nc1ncccc1B(O)O)[C@H]1CCCN1	2223636138	GFRHVVUKRDOZEL-SNVBAGLBSA-N	249.123	-0.296	50	10	BBGE	
Cc1cnc(NC[C@@]2(C)CCNC2)cc1B(O)O	2223641023	OWNXWYBJEXLJII-LBPRGKRZSA-N	249.123	-0.519	50	10	BBGE	
C[C@@H](CSCC1COC1)C(=O)NN	2241888502	JLWMJAKGJPOEFN-LURJTMIESA-N	204.295	-0.008	50	10	BBGE	
CO[C@@H](CO)CNC(=O)/C=C/C(=O)Cl	2242438624	JBXJLLMNUNUJSN-YRFDSLTASA-N	221.640	-0.569	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1coc(B(O)O)c1	2243348288	WPIUHCHSOMCDRT-SSDOTTSWSA-N	223.037	-0.394	50	10	BBGE	
CN(CCCF)C(=O)c1ccc(B(O)O)s1	2243348956	CNVNSNCDDCEMEN-UHFFFAOYSA-N	245.084	-0.141	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)[C@@H](C)CO	2243380941	ASRKOAHLLIEKNE-XSPKLOCKSA-N	229.085	-0.628	50	10	BBGE	
C[C@H](O)CCN(C)C(=O)C1CC(B(O)O)C1	2243396789	QSRIZVHNPVIOLU-UEJVZZJDSA-N	229.085	-0.531	50	10	BBGE	
C[C@@H]([C@@H]1CC1(C)C)N(C)C(=O)C#CB(O)O	2243398207	BTKSSDDYASXKSM-IUCAKERBSA-N	223.081	-0.105	50	10	BBGE	
O=C(Nc1nccs1)c1ccoc1B(O)O	2243399195	JXPUNDPXJOZCAU-UHFFFAOYSA-N	238.033	-0.332	50	10	BBGE	
C[C@H]1C[C@H]1N(C)C(=O)c1sccc1B(O)O	2243407887	BKPIGUWSAWVVNS-POYBYMJQSA-N	239.105	-0.092	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1CO)C1(B(O)O)CC1	2243409361	GMCNPTFSHKJSQJ-HTQZYQBOSA-N	227.069	-0.729	50	10	BBGE	
CC[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)OC	2243411242	QLKUPGDXVUEICC-ZCFIWIBFSA-N	229.041	-0.939	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1cccnc1	2243414645	FQMSAJVAVOMCTD-DTWKUNHWSA-N	220.037	-0.093	50	10	BBGE	
O=C(Nc1ncccn1)[C@H]1C[C@@H](B(O)O)C1	2243425630	AARQPIXKAUNMDM-KNVOCYPGSA-N	221.025	-0.332	50	10	BBGE	
CS(=O)(=O)N1CCC[C@@H](OC(=O)N=C=O)C1	2244063317	RGIRFEFCGSKNGF-SSDOTTSWSA-N	248.260	-0.117	50	10	BBGE	
CN(CC[C@@H]1CCO1)C(=O)[C@H]1C[C@@H]1B(O)O	2246176230	KHYOIWIOCJMVLU-VGMNWLOBSA-N	227.069	-0.513	50	10	BBGE	
CC(C)N(C)CCNC(=O)C1(B(O)O)CCC1	2247732814	JQMHCBDUKFGULM-UHFFFAOYSA-N	242.128	-0.160	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@H](C)F)n1	2247750349	IDQZKUKBQOKFBL-LURJTMIESA-N	240.043	-0.842	50	10	BBGE	
COc1ccc(C(=O)N(C)OC)cc1B(O)O	2247759781	WOVXWMYAFDSQMX-UHFFFAOYSA-N	239.036	-0.992	50	10	BBGE	
C[C@H](NC(=O)c1c[nH]nc1B(O)O)C(C)(C)C	2247783543	HAXPATXMVVTUBK-LURJTMIESA-N	239.084	-0.746	50	10	BBGE	
Cc1cc(C(=O)NC2[C@H](C)[C@H]2C)oc1B(O)O	2247789412	VRJDTUBBHVMDTC-RNFRBKRXSA-N	237.064	-0.348	50	10	BBGE	
CC[C@@H]1CCOCCN1C(=O)[C@H]1C[C@@H]1B(O)O	2247796752	CHVATCSPXIAWBY-UTLUCORTSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCCO1	2247801129	XKAPFOUVYFGTFJ-IMSYWVGJSA-N	241.096	-0.219	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247810605	YSXBTCOZOCPTRS-ZYUZMQFOSA-N	240.112	-0.789	50	10	BBGE	
COCC1(CN(C)C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247859333	MBNWBLZMQJTPDG-IUCAKERBSA-N	241.096	-0.266	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)NOCC(C)C	2247867198	AMVZVMCLLSYDSQ-UHFFFAOYSA-N	241.052	-0.415	50	10	BBGE	
CN1CC2CC1(CNC(=O)C1(B(O)O)CC1)C2	2247877489	HOIDFZYKHPQYBA-UHFFFAOYSA-N	238.096	-0.796	50	10	BBGE	
CC[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)OC	2247895201	PYZCLEONFRHQFR-RNJXMRFFSA-N	243.068	-0.693	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)Nc1cccc(B(O)O)c1	2247974338	VYRMIHUGDDVNMS-GMSGAONNSA-N	234.064	-0.104	50	10	BBGE	
CC[C@H](C)[C@@H](NC(=O)C1(B(O)O)CC1)C(=O)O	2248577532	NOMAWATVNKNUEU-NKWVEPMBSA-N	243.068	-0.391	50	10	BBGE	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@@H]1C(=O)O	2248584701	ALYMVWUPNTUFDF-DSYKOEDSSA-N	241.052	-0.829	50	10	BBGE	
CC[C@@H](CC(=O)O)NC(=O)C1CC(B(O)O)C1	2248585380	KHKNESVUMZIYCV-RRQHEKLDSA-N	243.068	-0.391	50	10	BBGE	
C#C[C@H]1CCCCN1C(=O)c1occc1B(O)O	2255479595	SLSKQHGDJSGAMU-VIFPVBQESA-N	247.059	-0.413	50	10	BBGE	
Cn1cc(B(O)O)cc1C(=O)N[C@]1(C)C=CCC1	2255498864	CHNMYLYQIFDTEH-GFCCVEGCSA-N	248.091	-0.457	50	10	BBGE	
C[C@H](C1CC1)N(C)C(=O)c1ncc(B(O)O)cn1	2255776540	UGXLIHQJMBQUGS-SSDOTTSWSA-N	249.079	-0.973	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CCn2nccc2C1	2255797277	DKZRLACHGWZVSL-DTORHVGOSA-N	249.079	-0.522	50	10	BBGE	
O=C(Cc1cccc(F)c1)NCCC#CB(O)O	2258959483	RPRGSIVTDZXCEY-UHFFFAOYSA-N	249.050	-0.110	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)CC[C@@H]1O	2298165455	CHUMLDDJGSLQDS-NAKRPEOUSA-N	241.335	-0.295	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21	2298367861	YVBOIOBHIXHRTP-AJBSGBCOSA-N	233.076	-0.495	50	10	BBGE	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)[C@H](C)CO1	2298376114	IRXMHOXVYIZHBU-RGOKHQFPSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CC[C@@H]2[C@@H](O)C[C@H]2C1	2298377478	SEQOBLOWWVPDPS-WLRJLXCNSA-N	239.080	-0.921	50	10	BBGE	
CN[C@H](C)COc1ccc(B(O)O)cc1C#N	2301341544	QHJBYVVQZLFRKA-MRVPVSSYSA-N	234.064	-0.775	50	10	BBGE	
CC(=O)N(C)CCN(C)[C@@H](C)[C@@H](C)C(=O)NN	2301395782	SLQCYSWOYGTOCF-BDAKNGLRSA-N	244.339	-0.589	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@H]2C[C@H](O)[C@H]2C1	2302059438	KGFCAPLZXNHOHR-RCWTZXSCSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]1(B(O)O)CCN(C[C@@]2(C)CCNC2=O)C1	2303135845	LBTOOQMCOJOVPR-GHMZBOCLSA-N	240.112	-0.549	50	10	BBGE	
CO[C@@H]1COCCN([C@@H](C)[C@@H](C)C(=O)NN)C1	2306798954	JQWKWLCFHRICBM-UTLUCORTSA-N	245.323	-0.652	50	10	BBGE	
Cc1nn(CCOCC(F)F)c(C)c1B(O)O	2307825657	DFBDWBBABMJDTF-UHFFFAOYSA-N	248.038	-0.539	50	10	BBGE	
O=Cc1ccc(NCc2cc[nH]n2)cc1B(O)O	2317311055	KFIHBKQALZYSNU-UHFFFAOYSA-N	245.047	-0.486	50	10	BBGE	
O=Cc1ccc(NC[C@@H]2CC[C@H]2O)cc1B(O)O	2317312174	CHCJWFXOMVMURC-QPUJVOFHSA-N	249.075	-0.638	50	10	BBGE	
CN1CC(COc2ccc(C=O)c(B(O)O)c2)C1	2317313554	YVLWILBYLJLGLI-UHFFFAOYSA-N	249.075	-0.881	50	10	BBGE	
O=Cc1ccc(N(CCO)C2CC2)cc1B(O)O	2317351054	BTAHQIUPWJIPGI-UHFFFAOYSA-N	249.075	-0.860	50	10	BBGE	
CN1CCC(N(C)C(=O)CCC(=O)NN)CC1	58851728	RFBFDLDOWFRIMV-UHFFFAOYSA-N	242.323	-0.691	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@@H]1CN(C)CCN1C	82669068	JYVWSBRMJPVRDG-RKDXNWHRSA-N	233.743	-0.024	50	10	BBGE	
O=C(CCCCCl)NC[C@H](O)CO	85248813	NKPJSOCJBHHTQL-ZETCQYMHSA-N	209.673	-0.135	50	10	BBGE	
C[C@H](CN)SC[C@@H]1CC[C@H](C(=O)NN)O1	85303092	HUPPUCCAYIUIGL-GJMOJQLCSA-N	233.337	-0.396	50	10	BBGE	
C/C(N)=C(/C#N)C(=O)CN1CCOCC1	100092222	WXBLUGOSYMYPBB-CMDGGOBGSA-N	209.249	-0.356	50	10	BBGE	
CCN(CCCC(=O)NN)CC(=O)NC(C)C	110591279	CZVZWLLRNMORKZ-UHFFFAOYSA-N	244.339	-0.397	50	10	BBGE	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)NN(C)C	149077540	XCCIQUFGNJSZPV-NKWVEPMBSA-N	215.253	-0.032	50	10	BBGE	
COc1ccc2cc(B(O)O)n(C)c2c1OC	197366416	LOOBROCPIYUBCH-UHFFFAOYSA-N	235.048	-0.125	50	10	BBGE	
C[C@@H](N)C(=S)N1CCC[C@H]1B(O)O	197548903	ZEMFLZQUUHJMGT-RITPCOANSA-N	202.088	-0.863	50	10	BBGE	
COc1ccc(B(O)O)cc1Cn1cccn1	199003713	JPHPLXZNDXSCCX-UHFFFAOYSA-N	232.048	-0.380	50	10	BBGE	
Cc1ccnn1CCOc1cccc(B(O)O)c1	203619203	WPSAPWDLTKRHIA-UHFFFAOYSA-N	246.075	-0.050	50	10	BBGE	
C[C@H](CO)CNS(=O)(=O)CCCl	232300175	KASHPUOMWVNEMM-LURJTMIESA-N	215.702	-0.227	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C[C@@H](C)C#N	232419657	SODGEMNKYSPNTH-YUMQZZPRSA-N	214.269	-0.917	50	10	BBGE	
CCCOCCOc1cncc(B(O)O)c1	233237934	IUISQVLJHXYVQD-UHFFFAOYSA-N	225.053	-0.433	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCCCN1	234282309	XSPDSAVHLABSEZ-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
C[C@@H]1CSCCN1[C@H](C)C(=O)NN	251736567	KPBFPEKOMURHBV-RNFRBKRXSA-N	203.311	-0.198	50	10	BBGE	
Cc1ccc(C=NNC(=O)Cn2nnnc2N)o1	254698826	DZGOOJLTYUIGBQ-UHFFFAOYSA-N	249.234	-0.693	50	10	BBGE	
O=C(O)/C=C1/CN(C(=O)CCl)CCN1	306370428	ISELVFKGDXTFIP-UTCJRWHESA-N	218.640	-0.375	50	10	BBGE	
C[C@@H]1[C@@H](NC(=O)CCl)CCS1(=O)=O	307760990	XSRRCXMPGMFPCW-RITPCOANSA-N	225.697	-0.083	50	10	BBGE	
C[C@@H](O)[C@@H](C)N=c1[nH]c(CCCl)nc(=N)[nH]1	387052064	UBXINTVYGPJANU-PHDIDXHHSA-N	245.714	-0.331	50	10	BBGE	
O=C(CCO)NN=Cc1csnn1	388373209	XZLQFPZUQRDZAO-UHFFFAOYSA-N	200.223	-0.629	50	10	BBGE	
Cc1ccc(CCC(=O)O)c(B(O)O)c1	396135975	NCDFFONMRZSBER-UHFFFAOYSA-N	208.022	-0.308	50	10	BBGE	
COC(=O)c1c(CC(C)=O)cccc1B(O)O	396137202	KRLGXVNQDIIIQL-UHFFFAOYSA-N	236.032	-0.716	50	10	BBGE	
O=C(NCc1ccc(B(O)O)s1)NC1CC1	405071061	BNMSFGOBVPDZES-UHFFFAOYSA-N	240.093	-0.611	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@@H]1CCC[C@H]1OC	687462874	SRUMNIBTMGTFAR-OPRDCNLKSA-N	245.323	-0.509	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@](C)(C#N)C1	693992987	UXTIXUIUHOAKBS-WCBMZHEXSA-N	210.281	-0.010	50	10	BBGE	
Cc1nn(Cc2ncccn2)c(C)c1B(O)O	694265867	ARIVZGAXONWCHS-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
Cc1cc(C#N)ccc1Cn1ccc(B(O)O)n1	694277297	RYTXUBZRMKZYQE-UHFFFAOYSA-N	241.059	-0.209	50	10	BBGE	
Cc1cn(CC(C)(C)C(=O)NN)c(O)n1	699584925	GSZKYICELUEVFU-UHFFFAOYSA-N	212.253	-0.087	50	10	BBGE	
CC(C)n1ccnc1Cn1ccc(B(O)O)n1	699955092	QNWAIVKIWDQHFZ-UHFFFAOYSA-N	234.068	-0.611	50	10	BBGE	
CCOC1CCC(NC(=O)C(=O)NN)CC1	703805443	CCSKRMMBOBCAIM-UHFFFAOYSA-N	229.280	-0.560	50	10	BBGE	
CN(CCC(=O)NN)CC12CCN(CC1)C2	715564722	IMZHSTYFASGSKO-UHFFFAOYSA-N	226.324	-0.606	50	10	BBGE	
CN(CCCF)C[C@@H]1CC[C@@H](C(=O)NN)O1	716693008	ZTHFDFBSJPTKKX-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
Nc1nc(CCCl)nc(NCC#CCO)n1	717535111	SSVRGKLMGZPGKX-UHFFFAOYSA-N	241.682	-0.357	50	10	BBGE	
C[C@@H](O)C1CN(CC(C)(C)C(=O)NN)C1	719807876	PQFNNFRCHWTMAL-SSDOTTSWSA-N	215.297	-0.685	50	10	BBGE	
OB(O)c1cncc(OC[C@H]2CC23CC3)c1	722827140	QUVDZVHGXWEJLE-MRVPVSSYSA-N	219.049	-0.060	50	10	BBGE	
NNC(=O)c1nc(CSCCO)ns1	724324944	QKYMOQHNYYCKHI-UHFFFAOYSA-N	234.306	-0.633	50	10	BBGE	
NC(=O)NN=CCN1C(=O)c2ccccc2C1=O	755465182	WNLVIFUHLIEGOF-UHFFFAOYSA-N	246.226	-0.063	50	10	BBGE	
COC[C@@H](C)C=NNC(=O)C(=O)NC1CC1	755892219	MIVSNOOJCCIVDU-ZETCQYMHSA-N	227.264	-0.351	50	10	BBGE	
O=C(NNC(=O)C1CCC1)N[C@@H]1[C@H]2COC[C@H]21	793456710	BGNNJKYJRGZDKG-BRPSZJMVSA-N	239.275	-0.238	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(O)(C#N)CC1	821981153	RYBZGMDVDRXFOK-QMMMGPOBSA-N	226.280	-0.895	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@@H]1CCNC1=O	1261676785	UONQWBSEBQYRSH-MRVPVSSYSA-N	241.291	-0.294	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CC1(O)CCC1	1447802011	JWOXSSOEAKBAIP-UHFFFAOYSA-N	230.264	-0.790	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)c1cc(N)ccn1	1447802233	LVJGUZKTENWMCJ-UHFFFAOYSA-N	238.247	-0.804	50	10	BBGE	
O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC12CC2	1464994240	NMDUSKDOUIXUFF-QMMMGPOBSA-N	234.259	-0.100	50	10	BBGE	
CC(=O)NNC(=O)c1nsnc1O	1539518661	VBXZLYXHLWNTQD-UHFFFAOYSA-N	202.195	-0.975	50	10	BBGE	
CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)N	1880022876	HMVALDPDWBHZRM-SSDOTTSWSA-N	247.295	-0.142	50	10	BBGE	
NC(=O)[C@@H](N)CN[C@H]1C[C@@H](Br)C1	1880958444	JOOPNALGEVQSQO-JKUQZMGJSA-N	236.113	-0.686	50	10	BBGE	
C#C[C@H](CO)NC(=O)[C@H]1C[C@@H]1Br	1881354186	VBRVFUAUDQHKRY-VQVTYTSYSA-N	232.077	-0.120	50	10	BBGE	
NC(B(O)O)(C(F)(F)F)C(F)(F)F	1882576123	XCPLZNIGCVTMJY-UHFFFAOYSA-N	210.870	-0.180	50	10	BBGE	
O=C1C[C@H](NC[C@@H]2C[C@@H]2Cl)C(=O)N1	1883552507	NBMBBFXQAWYUQZ-ZLUOBGJFSA-N	202.641	-0.382	50	10	BBGE	
CO[C@H]1CCN[C@H](C(=O)NN(C)C)C1	1887235618	UKVSKCLCVLQMQH-YUMQZZPRSA-N	201.270	-0.654	50	10	BBGE	
CN(C)CCN1CC[C@](C)(B(O)O)C1	1891586012	OOEWETCOIOVNPQ-VIFPVBQESA-N	200.091	-0.513	50	10	BBGE	
O=C(Cl)C=CC(=O)NCCOCCO	1893409794	ANWAUFKEHSXHDV-UHFFFAOYSA-N	221.640	-0.567	50	10	BBGE	
COC[C@H](O)CNC(=O)C=CC(=O)Cl	1893410868	OZFMYHHZHJLKHY-ZCFIWIBFSA-N	221.640	-0.569	50	10	BBGE	
C[C@@H](O)[C@H](CO)NC(=O)C1CC(Cl)C1	1893474623	LBNMCOXIRUAKHA-CQRKAFIDSA-N	221.684	-0.138	50	10	BBGE	
C[C@H](O)CN(CCO)C(=O)[C@H]1C[C@H]1Cl	1893475948	ZLXRNMXKQRGVDM-BIIVOSGPSA-N	221.684	-0.185	50	10	BBGE	
Cn1cnc(CN[C@H]2COC[C@@H]2Cl)n1	1894392766	APSOZVBMOYFBMR-BQBZGAKWSA-N	216.672	-0.089	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H](OC)C[C@@H]21	1895667720	MEMSLBOIRPJRKL-JXUBOQSCSA-N	227.308	-0.136	50	10	BBGE	
C[C@H]1CN([C@H](C(=O)NN)C(C)(C)C)C[C@@H]1O	1902155827	PIHQMOUGDNJASN-XHNCKOQMSA-N	229.324	-0.296	50	10	BBGE	
C[C@]1(B(O)O)CCN(CC(=O)NC2CC2)C1	1902511099	FGSFUPOQZRMDIU-JTQLQIEISA-N	226.085	-0.796	50	10	BBGE	
C[C@H](CN(C)C1(C)COC1)C(=O)NN	1907524096	FVOBLXSWMMSHGC-SSDOTTSWSA-N	201.270	-0.667	50	10	BBGE	
CO[C@@H](C)COC[C@@H]1CCC[C@H](C(=O)NN)O1	1909804996	KAGFBADWZWUTCG-LPEHRKFASA-N	246.307	-0.035	50	10	BBGE	
Cc1cnn(C[C@@H](C)C(=O)NN)c(=O)c1	1912215422	MGYKIRGWDLVIGA-SSDOTTSWSA-N	210.237	-0.822	50	10	BBGE	
Cc1occc1C(=O)Nc1ncccc1B(O)O	1913606633	BEPPQJQGTOXKOA-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccco1	1913618422	DBAUZBCYXZLAGA-UHFFFAOYSA-N	232.004	-0.393	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)[C@H]1C	1914262771	RKWISQXIXQLCKB-XLPZGREQSA-N	201.270	-0.790	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CC2(C1)CC2(F)F	1914522996	XKIBNDNCNVYHTH-LURJTMIESA-N	235.234	-0.668	50	10	BBGE	
C[C@H](C(=O)NN)N1CCN(CC(F)F)CC1	1923096982	DRQKAKZWXSYBBD-SSDOTTSWSA-N	236.266	-0.753	50	10	BBGE	
C[C@H](Cl)CNS(=O)(=O)C1COC1	1923231427	YJKAVPXASUFMAI-YFKPBYRVSA-N	213.686	-0.068	50	10	BBGE	
CC[C@@H](OC)C(=O)Nc1ccc(B(O)O)cc1	1924098332	MYWFBRAJPNVBRI-SNVBAGLBSA-N	237.064	-0.270	50	10	BBGE	
NNC(=O)C1(CN2C[C@@H]3C[C@@H]3C2=O)CC1	1931266705	JHEOZBXQBQQPKJ-BQBZGAKWSA-N	209.249	-0.765	50	10	BBGE	
O=C1C[C@@H](NC(=O)CCCCCl)C(=O)N1	1932170124	CMZSTWNXQRDYBM-ZCFIWIBFSA-N	232.667	-0.073	50	10	BBGE	
CC[C@@H]1CCOC[C@@H]1OCC(=O)NN	1932289752	HLLKUAAVKMGOMM-SFYZADRCSA-N	202.254	-0.192	50	10	BBGE	
CC[C@@]1(C)CN(CCC(=O)NN)CCO1	1932354227	BWKWDKHHFLIAME-JTQLQIEISA-N	215.297	-0.133	50	10	BBGE	
CN(Cc1cnnn1C)C[C@@H](Cl)C(=O)O	1934944394	HWPLKIVYASYGLZ-SSDOTTSWSA-N	232.671	-0.061	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1C[C@@H](C)C(=O)NN	1934980691	JRTOLVADXZIKDQ-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
C[C@@H]1COCCCN1CC(F)(F)C(=O)NN	1935926985	XAKRBEWCMUDIIU-SSDOTTSWSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@@H]2COCC[C@H]21	1936283256	GAYIVSPTBAYNND-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)O[C@@H]1CCN(C(=O)C(=O)NN)C1	1939064487	GUTAHNBOFWFLDB-SSDOTTSWSA-N	229.280	-0.608	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCOC[C@H]1CC(=O)O	1941552364	LMDNMQZNBIENPG-HTQZYQBOSA-N	245.279	-0.358	50	10	BBGE	
CC1(C)C[C@H](CO)N(C[C@@H]2C[C@H]2C(=O)NN)C1	1945906043	RKYDOZJYHLZIFL-IVZWLZJFSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]23CCC[C@@]2(COC3)C1	1947539563	CWCBSVGJRNERSN-USWWRNFRSA-N	239.319	-0.133	50	10	BBGE	
CO[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CC1	1951321843	JESQOZKIDXNZAF-IUCAKERBSA-N	227.069	-0.513	50	10	BBGE	
O=C1CC(c2c[nH]c(=O)cn2)CC(=O)O1	1952078767	DDPSLWGWFKQBKC-UHFFFAOYSA-N	208.173	-0.283	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)CCl)CC[S@@]1=O	1954066858	FZXCCCSIRICPFB-INWYIAFRSA-N	245.753	-0.035	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC=C[C@H](O)C1	1960249982	XSDKBCFDZXHVRP-IUCAKERBSA-N	213.281	-0.766	50	10	BBGE	
C[C@@]12CN(CCC(=O)NN)C[C@]1(CO)C2	1960274024	RKQCXWOHVOZLDI-ZJUUUORDSA-N	213.281	-0.929	50	10	BBGE	
CCC[C@H](SCCOCCN)C(=O)NN	1961088937	XWDHOEADTJQZBN-QMMMGPOBSA-N	235.353	-0.147	50	10	BBGE	
C[C@@H](C1CC1)N(CCC#N)CC(=O)NN	1961264731	BCEVYWRXCGXKIS-QMMMGPOBSA-N	210.281	-0.010	50	10	BBGE	
CN(CC(=O)NN)[C@@H](CCO)C(F)(F)F	1975121613	GCWIFMZAFRGDFS-YFKPBYRVSA-N	229.202	-0.779	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CC[C@@H]2[C@@H]1C2(F)F	1975937924	AYCOBUSHUNRTDQ-KVQBGUIXSA-N	233.218	-0.616	50	10	BBGE	
CC(C)[C@@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976994238	HFLRHPJIJMNSLM-RNFRBKRXSA-N	231.057	-0.679	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@]1(C)COCCO1	1982115557	SIWUQXIMAVOACA-PSASIEDQSA-N	231.296	-0.898	50	10	BBGE	
NNC(=O)c1ccc(CN2CCCO2)cn1	1983343815	HPUZUYZRUIRVMX-UHFFFAOYSA-N	222.248	-0.178	50	10	BBGE	
C[C@H](CN1CC[C@H](O)[C@H]2CC[C@H]21)C(=O)NN	1988711187	JNWOWSJDNFFMRS-RGOKHQFPSA-N	227.308	-0.542	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCOC[C@H]1C	1990775071	QUOJYRFKLIWLCD-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
C[C@@H]1OCC[C@H]1CC(=O)NCC=CB(O)O	1991328258	DLQXQQSKHVFOCI-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
C=C(CN1CCN([C@@H](C)CC)CC1)B(O)O	1992160086	RJTINTWWVAYZFL-NSHDSACASA-N	226.129	-0.029	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@](F)(CO)C1	1995938568	YHQICEQLGVTINP-NSHDSACASA-N	247.314	-0.057	50	10	BBGE	
C[C@H]1C[C@@]1(C)C(=O)Nc1ccc(B(O)O)cn1	1996644963	CVGXRDQYAGROLK-WRWORJQWSA-N	234.064	-0.254	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1996730892	CLQSMTCZQOMJMV-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
CC(C)(CN1CCOC[C@]1(C)CO)C(=O)NN	2003267690	KQMBWVBGSQTVLP-NSHDSACASA-N	245.323	-0.914	50	10	BBGE	
N#CCCN(CCC#N)C[C@H]1C[C@@H]1C(=O)NN	2003737020	WRCNVBNWTATNPH-ZJUUUORDSA-N	235.291	-0.258	50	10	BBGE	
COC[C@]1(C)CC(=O)N(C[C@@H](C)C(=O)NN)C1	2003990864	ALLUHKGXUAHYFO-LDYMZIIASA-N	243.307	-0.503	50	10	BBGE	
CCOCCCOc1cc(C)c(B(O)O)cn1	2004934154	CJOAHMGZUIXIQO-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
OB(O)c1cnccc1OC[C@H]1CCCOC1	2004954162	ZQTJLVCTVOCDNC-VIFPVBQESA-N	237.064	-0.433	50	10	BBGE	
COc1nc(N(C)[C@H]2C[C@H]2C)ncc1B(O)O	2005103625	IVNCRMUCLHUPJZ-SVRRBLITSA-N	237.068	-0.990	50	10	BBGE	
OB(O)c1cnccc1N1C[C@@H](F)C[C@@H](F)C1	2011411178	DNZLGWGXHFFMNY-OCAPTIKFSA-N	242.034	-0.352	50	10	BBGE	
CCn1nc(CN(C)C(=O)C(=O)NN)cc1C	2013214012	VQHRFCNNQVQFOQ-UHFFFAOYSA-N	239.279	-0.840	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H]3CC[C@H]3C2)nc1	2014769790	MAHQZKHNPMKSRF-ZJUUUORDSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1cnccc1N1CC[C@H]2CC[C@@H]2C1	2014770438	VVBBQVALQHJQNN-NXEZZACHSA-N	232.092	-0.002	50	10	BBGE	
C[C@@H](F)CN1CCN(CCCC(=O)NN)CC1	2015812527	AJEUHZKPJVLMHN-SNVBAGLBSA-N	246.330	-0.268	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN(CC1CC1)C1COC1	2018186829	GWEGRYXIIDWJOZ-KOLCDFICSA-N	239.319	-0.277	50	10	BBGE	
Cc1ncnc(N2CCC[C@@H]3CC[C@@H]32)c1B(O)O	2052555904	JLVSIDTVYSYKCI-ZJUUUORDSA-N	247.107	-0.156	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1ccn2cnnc2c1	2067872966	NQSIFKHXDNQXOU-MRVPVSSYSA-N	248.290	-0.461	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CN3CCC2CC3)nc1	2077336983	IZZVMYJQCBEJOS-LLVKDONJSA-N	248.091	-0.766	50	10	BBGE	
OB(O)c1csc(CN2[C@@H]3COC[C@H]2C3)c1	2211080163	YHVSZZWMIXRLKC-DTORHVGOSA-N	239.105	-0.599	50	10	BBGE	
CN(C[C@H]1CC[C@@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2211838709	KMPIAKBZPSIYQR-KYXWUPHJSA-N	227.308	-0.542	50	10	BBGE	
CN(C)[S@@](C)(=O)=NCC1(C(=O)NN)CCC1	2212262544	OPGRBAUUOFGGGC-INIZCTEOSA-N	248.352	-0.279	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@H](CF)C2)nc1	2212603672	IJDMIUBRMDLSBM-XWEPSHTISA-N	224.044	-0.079	50	10	BBGE	
C=C1CCN(c2nccc(B(O)O)c2F)C1	2212604228	NJLJPOSKXLQPKL-UHFFFAOYSA-N	222.028	-0.333	50	10	BBGE	
C#C[C@@H](Nc1ccc(B(O)O)cn1)C(C)C	2212606562	WBFFCMPBVSEUCL-SNVBAGLBSA-N	218.065	-0.169	50	10	BBGE	
CCNC1CN(Cc2cccc(B(O)O)c2)C1	2214593899	ZCEWDFOAXVIRPA-UHFFFAOYSA-N	234.108	-0.840	50	10	BBGE	
CNC(=O)[C@H](C)N(C)C[C@@H]1CC[C@H]1C(=O)NN	2215772899	QUTYPSKNYRBZTJ-XHNCKOQMSA-N	242.323	-0.931	50	10	BBGE	
CCN1CCN(C[C@@H]2CC[C@@H]2C(=O)NN)C1=O	2215774041	CMNVPSWRPDPSSW-IUCAKERBSA-N	240.307	-0.240	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CCCOCC2)nc1	2217177464	JKSOKSOUYIWTPB-SNVBAGLBSA-N	236.080	-0.258	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CC[C@@H](O)C1	2217177935	PGWXQTSWAJEHDX-DTWKUNHWSA-N	236.080	-0.666	50	10	BBGE	
CN1CCC[C@@H]1CNc1cc(B(O)O)ccn1	2217177983	PTASBGUSAHUWJZ-SNVBAGLBSA-N	235.096	-0.733	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2[C@H]3CCOC[C@H]32)c1	2223627700	NCLCNCDDHHWDNY-GMTAPVOTSA-N	248.091	-0.544	50	10	BBGE	
Cc1cnc(O[C@@H]2C[C@@H]3NCC[C@H]32)cc1B(O)O	2223639934	HYUZSLQFUZCXBO-DVVUODLYSA-N	248.091	-0.801	50	10	BBGE	
CC1(C)[C@@H](CN)C[C@@H]1Nc1ccc(B(O)O)cn1	2223640528	LWLBSRLKDOXGPO-SCZZXKLOSA-N	249.123	-0.453	50	10	BBGE	
N[C@@]12CCC[C@H]1CN(c1cc(B(O)O)ccn1)C2	2223645758	YWWGNJJDNTVVMF-JOYOIKCWSA-N	247.107	-0.921	50	10	BBGE	
N[C@@H]1C[C@H](COc2ncccc2B(O)O)[C@H]2C[C@@H]21	2223650664	PHYVUNBMGSASJA-SDNRWEOFSA-N	248.091	-0.877	50	10	BBGE	
OB(O)c1ccnc(OCC2CC3(CNC3)C2)c1	2223663184	XLMNKVIPTKLKBS-UHFFFAOYSA-N	248.091	-0.860	50	10	BBGE	
OB(O)c1ccnc(N2CCNCC23CCC3)c1	2223670236	UUKHZWZVFMROEO-UHFFFAOYSA-N	247.107	-0.906	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2COC3CC2C3)c1	2223676005	ZZSHFEYQABRTTF-INWMGODYSA-N	248.091	-0.402	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21)C1(B(O)O)CC1	2243359454	TYJGIVYWHNQAPK-XSPKLOCKSA-N	221.065	-0.140	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)C(=O)C1(B(O)O)CC1	2243363971	PIZXUTWIERBKMF-HTQZYQBOSA-N	227.069	-0.513	50	10	BBGE	
CC(C)NCCNC(=O)C1CC(B(O)O)C1	2243390857	CEGARUKXWKPIQZ-UHFFFAOYSA-N	228.101	-0.646	50	10	BBGE	
CN(CC[S@](C)=O)C(=O)C1CC(B(O)O)C1	2243391419	KKPJXDVODJOICU-NUYYARQXSA-N	247.125	-0.924	50	10	BBGE	
CC1CC(NC(=O)c2csnc2B(O)O)C1	2243398783	USPLJTQLOYVONU-UHFFFAOYSA-N	240.093	-0.649	50	10	BBGE	
CCCn1cc(NC(=O)C#CB(O)O)cn1	2243401771	WJSFNBQZVLNEPW-UHFFFAOYSA-N	221.025	-0.753	50	10	BBGE	
CCN(CCF)C(=O)c1coc(B(O)O)c1	2243409745	NXUQXBOYDAOOFP-UHFFFAOYSA-N	229.016	-0.609	50	10	BBGE	
CO[C@H](C)CCNC(=O)C1CC(B(O)O)C1	2243413476	GZWAQWUJAKNDLK-AFPNSQJFSA-N	229.085	-0.219	50	10	BBGE	
C=CCCCCNS(=O)(=O)CC(=C)B(O)O	2243433765	PULWJSLMTFCIJS-UHFFFAOYSA-N	247.125	-0.170	50	10	BBGE	
C#CCC(=O)N[C@H](C)c1cc(B(O)O)cs1	2243684602	CQYRKSPKGCWFLV-SSDOTTSWSA-N	237.089	-0.372	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cn1)[C@@H]1C[C@H]1Cl	2243713637	YOBGELULWSTYGD-RNFRBKRXSA-N	240.455	-0.673	50	10	BBGE	
C=C[C@@H](C)Oc1nc(C)nc(C)c1B(O)O	2244127412	NXHIWFUYYCPPPF-ZCFIWIBFSA-N	222.053	-0.273	50	10	BBGE	
CC1(Nc2cc(B(O)O)c(Cl)cn2)COC1	2245912963	KEBILFLBOWXKMN-UHFFFAOYSA-N	242.471	-0.384	50	10	BBGE	
C[C@]1(NC(=O)c2coc(B(O)O)c2)C=CCC1	2247732831	JWKYHUFOOHQCCO-NSHDSACASA-N	235.048	-0.202	50	10	BBGE	
C[C@@H]1OC[C@H](NC(=O)C2(B(O)O)CCC2)[C@H]1C	2247733111	MKSOLUGLFXQYAR-CIUDSAMLSA-N	241.096	-0.077	50	10	BBGE	
C=C1CCCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2247740752	OWZQUNOPJPPURW-UHFFFAOYSA-N	234.064	-0.513	50	10	BBGE	
CC[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)o1	2247746792	DNCAUEPOVNXTOH-YUMQZZPRSA-N	237.064	-0.122	50	10	BBGE	
COC[C@](C)(CNC(=O)C1(B(O)O)CC1)OC	2247761238	BQBHBWRVTCAHGU-VIFPVBQESA-N	245.084	-0.839	50	10	BBGE	
C[C@H]1OCC[C@@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786821	GZWFFGOFOSPZBS-IMSYWVGJSA-N	241.096	-0.125	50	10	BBGE	
CC[C@H](C)[C@@H](O)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247793489	YBYMLPLBSQGTCY-XKNYDFJKSA-N	243.112	-0.237	50	10	BBGE	
Cn1ncc2c1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247800189	MCAFFAXOSJVBBO-HTQZYQBOSA-N	235.052	-0.875	50	10	BBGE	
CC[C@@H](N)CN(CC)C(=O)[C@H]1C[C@H](B(O)O)C1	2247805214	JUKWWCVDAIUGHT-OPRDCNLKSA-N	242.128	-0.175	50	10	BBGE	
Cn1cc(NC(=O)[C@@H]2C[C@@H]2B(O)O)ccc1=O	2247806444	NEDSJKAFKSQITA-SFYZADRCSA-N	236.036	-0.813	50	10	BBGE	
O=C(N[C@H]1COCC1(F)F)[C@H]1C[C@H](B(O)O)C1	2247806574	GBIHGWDVBDTJOG-ACZMJKKPSA-N	249.022	-0.610	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2247807472	IHVCNSZDARFQBO-UTINFBMNSA-N	238.096	-0.988	50	10	BBGE	
C=CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247808081	JWMCTZTZBYLLQO-BDAKNGLRSA-N	239.080	-0.611	50	10	BBGE	
CC1(NC(=O)C2CC(B(O)O)C2)CCNCC1	2247810038	UDWXVBXSYSBHNH-UHFFFAOYSA-N	240.112	-0.502	50	10	BBGE	
CC=C1CCN(C(=O)c2ccoc2B(O)O)C1	2247866909	VCOVBENVDQCEFR-UHFFFAOYSA-N	235.048	-0.248	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2coc(B(O)O)c2)C1	2247872793	YKGFZUVSDPMYSB-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CCN1CCN(C(=O)C2(B(O)O)CC2)C[C@H]1C	2247877443	AXNKHXJQVGUPAP-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
O=C(NC[C@H]1CCC[C@@H](O)C1)C1(B(O)O)CC1	2247879858	YKZDFVKNALOOLF-DTWKUNHWSA-N	241.096	-0.339	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H]1CCO	2247892838	IPCSONLEMRCHMU-UDNWOFFPSA-N	241.096	-0.387	50	10	BBGE	
O=C(N[C@H]1CCOC[C@H]1F)[C@H]1C[C@@H](B(O)O)C1	2247895019	NFKFCXYKCIYIFM-XAVMHZPKSA-N	245.059	-0.517	50	10	BBGE	
COC[C@](C)(NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2247899679	PEZLWJTWGVTNPY-NGZCFLSTSA-N	241.096	-0.219	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC[C@@H]2CNC[C@H]21	2247905981	WKEWXUZEHPIKIY-SEZDTBSWSA-N	238.096	-0.940	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N[C@H]1C[C@@H]1F	2247947188	RZGQCGQOLKWPIL-IUCAKERBSA-N	238.027	-0.402	50	10	BBGE	
C[C@H]1CC[C@@H](COc2ncncc2B(O)O)C1	2248026171	MVFJLRPIMYGCRP-DTWKUNHWSA-N	236.080	-0.029	50	10	BBGE	
CC=CC=CC(=O)Nc1ccc(B(O)O)cn1	2248420510	VRPJCRLOBNQZAX-UHFFFAOYSA-N	232.048	-0.168	50	10	BBGE	
C[C@@H](CNC(=O)C1CC(B(O)O)C1)CC(=O)O	2248586258	YCPBZQAJICNLIR-JECWYVHBSA-N	243.068	-0.534	50	10	BBGE	
C[C@H](CF)N(C)Cc1c(C(=O)NN)cnn1C	2249276998	IRYLFZHLSBNXOS-SSDOTTSWSA-N	243.286	-0.187	50	10	BBGE	
CC1(CONC(=O)c2cocc2B(O)O)CC1	2249430039	YIWLRTJRUPGBLB-UHFFFAOYSA-N	239.036	-0.579	50	10	BBGE	
O=C(Nc1cccnc1)c1ccncc1B(O)O	2255444324	JXUHVOOSRSWLJH-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1ccc(B(O)O)o1	2255461928	OMGUSNCCZWASRA-DJLDLDEBSA-N	249.075	-0.122	50	10	BBGE	
C#C[C@H](NC(=O)c1ccc(B(O)O)o1)C(C)(C)C	2255469965	WWDGNOTXQTWRAI-VIFPVBQESA-N	249.075	-0.263	50	10	BBGE	
Cc1ccc(C(=O)N[C@@H]2CCOC2)c(B(O)O)c1	2255513639	VFEBODGRORRGLX-SECBINFHSA-N	249.075	-0.806	50	10	BBGE	
O=C(Nc1ncnc2[nH]cnc12)[C@@H]1C[C@H]1B(O)O	2255561173	FBGWNGJQCZTVSS-RFZPGFLSSA-N	247.023	-0.846	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N1C[C@H]2C[C@@H]2C1	2255683522	XUXCDSGTZOPQLX-NXEZZACHSA-N	245.087	-0.233	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(B(O)O)n[nH]1	2255689981	SYEZWNNTXKGWTR-BWZBUEFSSA-N	249.079	-0.992	50	10	BBGE	
CC1CCN(C(=O)c2ncccc2B(O)O)CC1	2255710220	HTQJWXBILWZYEY-UHFFFAOYSA-N	248.091	-0.367	50	10	BBGE	
C[C@@H](NC(=O)c1ccoc1B(O)O)c1cn[nH]c1	2255722087	KNHOKDIQKJRYHE-ZCFIWIBFSA-N	249.035	-0.827	50	10	BBGE	
CO[C@H]1C[C@H]1NC(=O)c1cccc(C)c1B(O)O	2255735098	MXBFIRUSELGYSX-ZJUUUORDSA-N	249.075	-0.808	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1ccc(B(O)O)cc1O	2255937792	YYKKEDJFAJOBHY-ZETCQYMHSA-N	248.047	-0.896	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2nccnc2B(O)O)C1	2256063547	ZHJNWZVUJYKFGB-JGVFFNPUSA-N	249.079	-0.925	50	10	BBGE	
O=C(N[C@H]1COC[C@@H]1C1CC1)[C@@H]1C[C@H]1B(O)O	2298377018	BEBAIHSJKPTKRW-KYXWUPHJSA-N	239.080	-0.610	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)[C@@H]1C[C@@H]1B(O)O	2298377165	GVTFXOFSXAIMPS-GENCIFFESA-N	239.080	-0.467	50	10	BBGE	
C[C@H](CO)CN(C)CCC[C@H]1C[C@@H]1C(=O)NN	2300370760	NEUAFGCYTCLFGJ-DCAQKATOSA-N	243.351	-0.047	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCn1cnccc1=O	2300384880	SHIMJASRCBATFA-RKDXNWHRSA-N	236.275	-0.351	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CCNC1	2301346040	MFVSMWLAJRNAFO-JTQLQIEISA-N	231.064	-0.988	50	10	BBGE	
O=Cc1ccc(N2CC=CCC2)cc1B(O)O	2301452589	JHQVTHZDNXOUAY-UHFFFAOYSA-N	231.060	-0.055	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC(OCCO)C1	2302017614	HLFYYBYQAUZNFP-VIFPVBQESA-N	245.323	-0.772	50	10	BBGE	
CO[C@@H]1[C@H](OC)CN([C@H](C)C(=O)NN)[C@H]1CF	2302218454	UVKXNKZBLRLUEB-XAVMHZPKSA-N	249.286	-0.952	50	10	BBGE	
CC(C)CNC(=O)[C@H](C)N1CC[C@H](B(O)O)C1	2303125028	VKATYOHQVBEMEY-UWVGGRQHSA-N	242.128	-0.304	50	10	BBGE	
CCC(=O)N(C)C1CN(C[C@H](C)C(=O)NN)C1	2307296291	GPDRUQBXAYVRIV-QMMMGPOBSA-N	242.323	-0.835	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2C[C@H]3CC[C@@H]2N3)c1	2312614452	OQHGIEAQBXUCOP-GDPRMGEGSA-N	248.091	-0.719	50	10	BBGE	
C=CC[C@H](N)COc1ccc(B(O)O)cc1C#N	2317199637	GTGMNDHYBGYMEM-NSHDSACASA-N	246.075	-0.480	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@H]1CCCOC1	2317208530	ZBSZWFFZHZSHKP-NSHDSACASA-N	247.059	-0.204	50	10	BBGE	
NC[C@H]1CCCN1c1ccc(C=O)c(B(O)O)c1	2317308257	JBYHGSOZWYHPHD-LLVKDONJSA-N	248.091	-0.894	50	10	BBGE	
Cc1cnccc1COc1ncncc1B(O)O	2317800897	LZTAMFBJAJLBMS-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
Cn1cccc1/C=N/NC(=O)c1nonc1N	5749014	MEJVNRZJSDEMDI-VZUCSPMQSA-N	234.219	-0.246	50	10	BBGE	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\N	32106499	ONNQHFLZPISIBB-DAXSKMNVSA-N	221.216	-0.970	50	10	BBGE	
C=CCSCC(=O)NNC(=O)NC	48950257	FUPIJVLXVGIMIA-UHFFFAOYSA-N	203.267	-0.134	50	10	BBGE	
NNC(=O)CCCCN1CCC[C@@H]1C(N)=O	82466636	SJXFKNDBYXISOF-MRVPVSSYSA-N	228.296	-0.904	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1cnc([N+](=O)[O-])c1	86313776	SNKPPKZHCLSJOK-WDSKDSINSA-N	227.224	-0.022	50	10	BBGE	
C[C@H](CSCCN(C)C)C(=O)NN	87417319	UDPODXACIXBRJW-SSDOTTSWSA-N	205.327	-0.093	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCN(C)C(=O)C1(C)C	94866986	RDJUGOXLCNZLEF-MRVPVSSYSA-N	242.323	-0.693	50	10	BBGE	
C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)NN)C1	159486257	XJLGQMIDRFSSMX-FXQIFTODSA-N	201.270	-0.933	50	10	BBGE	
OB(O)c1ccc(F)cc1-c1ncon1	170013743	VWXGUKMDPJDGEG-UHFFFAOYSA-N	207.957	-0.445	50	10	BBGE	
NCCCCNCc1ccccc1B(O)O	203733405	OCPVMNVRKVDMMZ-UHFFFAOYSA-N	222.097	-0.805	50	10	BBGE	
CCn1ccn(Cc2cccc(B(O)O)c2)c1=O	211335825	KVTQPULPZYCEPK-UHFFFAOYSA-N	246.075	-0.602	50	10	BBGE	
COC(=O)c1cc(B(O)O)cc(OC)c1OC	222926300	MNZTYXNWSHZRFI-UHFFFAOYSA-N	240.020	-0.830	50	10	BBGE	
C[C@@H](CNS(=O)(=O)CCl)[S@@](C)=O	229764230	ZYJFEOCUMNPZRE-ULHQUTTKSA-N	233.742	-0.131	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)[C@@H](C)O	230309896	SXIVFTNEDKOTML-PHDIDXHHSA-N	220.294	-0.344	50	10	BBGE	
CC(C)COCCCNC(=O)C(=O)NN	232630641	ZDVNYJLLBZWNGN-UHFFFAOYSA-N	217.269	-0.845	50	10	BBGE	
C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NN)C1	235262131	XJKHMJHUBVSTNU-HTQZYQBOSA-N	213.281	-0.081	50	10	BBGE	
NNC(=O)c1cccc(Cn2cncn2)n1	236256218	KHAXEGROCYQPFA-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
COc1ccc(B(O)O)cc1OC(C)=O	238430258	MPQVDHLVPHARQS-UHFFFAOYSA-N	209.994	-0.700	50	10	BBGE	
Cc1cnc(-c2ncco2)c(B(O)O)c1	238487511	TYZRVKYGXXZAHS-UHFFFAOYSA-N	203.994	-0.275	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1C[C@@H]2CC[C@H](C1)O2	252600030	LFHHZBLCXGKBKY-RGOKHQFPSA-N	227.308	-0.136	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)[C@H](C)CC(=O)NN	252738847	DUPQMPKJZGPWOP-HRDYMLBCSA-N	215.297	-0.136	50	10	BBGE	
C[C@H](CN1CCC[C@](C)(O)C1)C(=O)NN	253069919	LZOZXMJUKLQRRQ-SCZZXKLOSA-N	215.297	-0.541	50	10	BBGE	
NNC(=O)COCc1ccc2c(c1)OCCO2	258963702	HCUURPIDJLXPBK-UHFFFAOYSA-N	238.243	-0.036	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@H]1CSC(=O)N1	294325568	YNRPGZSENXIJKL-ZCFIWIBFSA-N	243.288	-0.241	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H](C)OC[C@H]1C	299996280	KHWJVRHQQWPYRU-IWSPIJDZSA-N	231.296	-0.900	50	10	BBGE	
C[Si](C)(C)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	306450004	BKVGDLRCZNMWCW-OSMVPFSASA-N	222.313	-0.723	50	10	BBGE	
Cc1nnc(CCNC(=O)NN)s1	306727831	BCIZFQZTLGPTRE-UHFFFAOYSA-N	201.255	-0.438	50	10	BBGE	
CCOC(=O)NNS(=O)(=O)CC#N	379404959	SFCHEENGZPEFQD-UHFFFAOYSA-N	207.211	-0.910	50	10	BBGE	
CC(C)(Cn1cc(C#N)cn1)C(=O)NN	379774150	CBWXDYZXYIKWHY-UHFFFAOYSA-N	207.237	-0.229	50	10	BBGE	
C[C@H](N(C)CCC(=O)NN)C(C)(C)O	382972938	RERVPDTZIXOPTN-ZETCQYMHSA-N	203.286	-0.542	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H]2C[C@H]1CO2	387743698	QPANBZOWEBJXKW-UYXSQOIJSA-N	213.281	-0.526	50	10	BBGE	
NNC(=O)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	394219969	MMLJWWZKDFMGLB-XHNCKOQMSA-N	225.292	-0.081	50	10	BBGE	
CC(=O)Cc1cccc(C#N)c1B(O)O	396106059	XCFXBULHIAJVLM-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
O=C(O)CCc1cc(B(O)O)ccc1C(=O)O	396131416	DFBWVZHUOXTRAK-UHFFFAOYSA-N	238.004	-0.918	50	10	BBGE	
O=Cc1cc2c(CO)c(B(O)O)ccc2s1	396346539	ZKDSCRNYGQQYQI-UHFFFAOYSA-N	236.057	-0.114	50	10	BBGE	
O=C(O)c1ccc(O)c2scc(B(O)O)c12	396376169	DXPOMHJMEGUUNE-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
COC(C)(C)C(=O)Nc1ccc(B(O)O)cc1	404953010	UDYCRZPNSVLKHS-UHFFFAOYSA-N	237.064	-0.270	50	10	BBGE	
C[C@@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	405003414	PCXJZKZCLDVVFT-HTQZYQBOSA-N	219.049	-0.039	50	10	BBGE	
CN1CN[C@@H]2C(=O)NC[C@H](Br)[C@@H]21	605706028	SAJPIGCHMDLUOO-ZLUOBGJFSA-N	234.097	-0.891	50	10	BBGE	
NC(=S)NNC(=O)c1ccc(Cl)nn1	606288491	VCUCZAVBUJGKTQ-UHFFFAOYSA-N	231.668	-0.392	50	10	BBGE	
CN1C[C@@H](CNS(=O)(=O)CCl)CC1=O	687825892	HTKPOEVLZIGTIZ-ZCFIWIBFSA-N	240.712	-0.420	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)C[C@@H](COC)OC	691288291	UOJJWXPZLGFMDB-VHSXEESVSA-N	247.339	-0.262	50	10	BBGE	
C[C@@H](CN1CCC(O)(C#N)CC1)C(N)=O	692120078	HPZSMBPDAPLXBJ-QMMMGPOBSA-N	211.265	-0.542	50	10	BBGE	
CNC(=O)CN1CCN(C(=O)OCCl)CC1	692895976	NADWWALVDIBYDW-UHFFFAOYSA-N	249.698	-0.317	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3C[C@@H]3C2=O)O1	715704676	ULSJQWOXKFRLFB-HXFLIBJXSA-N	239.275	-0.998	50	10	BBGE	
CCC/C=C/C(=O)NNC(=O)[C@@H]1COCCO1	744640830	DPGBZLYDQDXZLR-MOVJSRMASA-N	242.275	-0.095	50	10	BBGE	
NC(=O)NCC(=O)NNc1cccnc1Cl	754478074	UFKTXPSYOCUMCU-UHFFFAOYSA-N	243.654	-0.154	50	10	BBGE	
O=C(NN=C1CCC(O)CC1)[C@H]1COCCO1	761809213	FVUKGONFEPLXQF-QVDQXJPCSA-N	242.275	-0.191	50	10	BBGE	
O=C(NNC(=O)c1cnn[nH]1)C(F)=C1CCC1	819248313	WODWUINISALMNH-UHFFFAOYSA-N	239.210	-0.027	50	10	BBGE	
COC(=O)N(C)NC(=O)c1nccn1C	857772622	OCYGDXZXUBWXBS-UHFFFAOYSA-N	212.209	-0.237	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NN(C)C(N)=O	907189507	ZBDXJQLOXZFESN-RRKCRQDMSA-N	215.253	-0.301	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NN(C)[C@H](C)CO	911445520	XJSIHXGPXHPGAO-VWFQECGMSA-N	202.254	-0.733	50	10	BBGE	
O=C(NNC(=O)c1cncs1)c1ncon1	1134615255	WHSWZJFAULJANL-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
CN(NC(=O)c1cc(=O)cc[nH]1)C(N)=O	1151329072	ABQCZXMESWDRFN-UHFFFAOYSA-N	210.193	-0.970	50	10	BBGE	
CCO[C@@H](C)C(=O)NNC(=O)c1ncccn1	1276343535	UWNXZXDDDXBKRT-ZETCQYMHSA-N	238.247	-0.337	50	10	BBGE	
CSCCNC(=O)NNC(=O)c1ncon1	1565060764	QMZCIQHLARVHNB-UHFFFAOYSA-N	245.264	-0.623	50	10	BBGE	
O=C(Cc1cccnc1)NNC(=O)c1ncc[nH]1	1585564056	MCDYTAWOFXXOGC-UHFFFAOYSA-N	245.242	-0.192	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc(C#N)n1C	1638740655	OSJQAXWMMVNQAP-UHFFFAOYSA-N	245.246	-0.218	50	10	BBGE	
CN(NC(=O)Cc1nc[nH]n1)c1ccccn1	1640773963	IFRLLOQAWVRRDN-UHFFFAOYSA-N	232.247	-0.090	50	10	BBGE	
O=C(CO[C@H]1CCOC1)NNc1ccncn1	1641048338	LIKNYHOHRRBBSR-QMMMGPOBSA-N	238.247	-0.275	50	10	BBGE	
N=C(NN)NC[C@@H]1C[C@@H]1Br	1877372627	NQCMTAIVSVMTFD-IMJSIDKUSA-N	207.075	-0.243	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@@H](O)CBr	1880273150	VNSQHSXPQMRKOH-DSYKOEDSSA-N	224.098	-0.193	50	10	BBGE	
C[C@@H](CCl)CS(=O)(=O)NOCCO	1883027423	XFTFIUOEYQUSPW-LURJTMIESA-N	231.701	-0.295	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC[C@H](O)C1	1883647497	NGVZPNZNUPFYQQ-IPWVHJGXSA-N	203.625	-0.099	50	10	BBGE	
CN(CC(N)=O)C(=O)/C=C/C(=O)Cl	1883648566	BOXAIHRBDOEKRG-NSCUHMNNSA-N	204.613	-0.748	50	10	BBGE	
Cn1ncc(C(=O)NCC#CCCl)n1	1884810094	KNFILISJBQKHIF-UHFFFAOYSA-N	212.640	-0.213	50	10	BBGE	
O=C(O)C(=O)N1CCN(C(=O)F)CC1	1887185699	CAQBRXTXRZDGSN-UHFFFAOYSA-N	204.157	-0.695	50	10	BBGE	
OB(O)c1cnccc1N1CCSC1	1892035169	HXZCITUQWVEICN-UHFFFAOYSA-N	210.067	-0.728	50	10	BBGE	
C[C@@H]1C[C@@H]1CN(C)c1ccncc1B(O)O	1896797188	JBVUWTURXJVKEP-RKDXNWHRSA-N	220.081	-0.146	50	10	BBGE	
C=CCCCNC(=O)c1cnsc1B(O)O	1900468186	WTQGKEBLPYBCQM-UHFFFAOYSA-N	240.093	-0.481	50	10	BBGE	
CN(NC(=O)C[C@H]1CCCCN1)S(C)(=O)=O	1901341073	OPMFLDKVHQGOOY-MRVPVSSYSA-N	249.336	-0.559	50	10	BBGE	
C#CC[C@H](N)C(=O)NN(C)S(=O)(=O)CCC	1901374381	DEWLWJOJJSSHDW-QMMMGPOBSA-N	247.320	-0.960	50	10	BBGE	
CCN1CC[C@@H](N2CC[C@H](B(O)O)C2)C1=O	1902528935	KMCUEJZFCBJQKU-DTWKUNHWSA-N	226.085	-0.844	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCOC2)ncc1F	1903010897	UTFRTZXWGFXUOQ-ZCFIWIBFSA-N	226.016	-0.899	50	10	BBGE	
CCN1CCN(C[C@@H]2C[C@H]2C(=O)NN)[C@H](C)C1	1906028473	PDHGOGXSILHPMY-OUAUKWLOSA-N	240.351	-0.362	50	10	BBGE	
N#CC1=CCN(C(=O)[C@@H]2C[C@H](O)CCN2)CC1	1907708855	DMDCAAUVBBKBPO-MNOVXSKESA-N	235.287	-0.218	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@H](Cl)C(=O)O	1913809891	WGDDJNGAIITEML-YFKPBYRVSA-N	229.685	-0.040	50	10	BBGE	
NNC(=O)CN=S1(=O)CCCCC1	1913852757	GQAXBGNGAKTZJQ-UHFFFAOYSA-N	205.283	-0.372	50	10	BBGE	
O=C(NCC1COC1)NNC(=O)C(F)(F)F	1923410696	WMFIRJQZEASBSS-UHFFFAOYSA-N	241.169	-0.475	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCCO1	1928674950	GYXZUZBQXILWHC-ZETCQYMHSA-N	203.242	-0.981	50	10	BBGE	
CN(C(=O)NC(=O)CCl)c1nccnn1	1929010483	FGXLMVYIRQPAAW-UHFFFAOYSA-N	229.627	-0.217	50	10	BBGE	
CN(C)NC(=O)NC12CC(C(=O)O)(C1)C2	1929531142	IVHUVCFUWAZWTF-UHFFFAOYSA-N	213.237	-0.231	50	10	BBGE	
Cc1nscc1C(=O)NNCCO	1930569625	LVCXDEMIJRUIET-UHFFFAOYSA-N	201.251	-0.322	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CC1(C(=O)NN)CC1	1938233351	PUUPUGLHWIZTBI-BDAKNGLRSA-N	227.308	-0.134	50	10	BBGE	
COCCN(CCF)CC1(C(=O)NN)CC1	1938249649	XVHACOLZKLQSNC-UHFFFAOYSA-N	233.287	-0.326	50	10	BBGE	
CC(C)(CN1CC[C@]2(CCO2)C1)C(=O)NN	1938676661	RSTIPSGNRKKFEF-NSHDSACASA-N	227.308	-0.133	50	10	BBGE	
CN(C[C@H]1COCCO1)CC(C)(C)C(=O)NN	1940286969	IJNHNEFXWJKOCI-VIFPVBQESA-N	245.323	-0.650	50	10	BBGE	
C[C@H]1[C@H](N(C)C)CCN1C[C@@H]1C[C@H]1C(=O)NN	1941082146	FJMCWIWGIRVXIX-UKKRHICBSA-N	240.351	-0.363	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCO[C@@H](C2CC2)C1	1941085344	CWRJKGOGRYZMBG-GMTAPVOTSA-N	239.319	-0.277	50	10	BBGE	
CO[C@]1(C)CCCN(CCOCC(=O)NN)C1	1941784706	SHOYOMRBTUGWSE-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
Cc1ccc(CN(C)CCCC(=O)NN)nn1	1941971467	LPVPCTVDNXLXIS-UHFFFAOYSA-N	237.307	-0.013	50	10	BBGE	
CNC(=O)N1CCc2ccc(B(O)O)cc2C1	1944859863	MVFWUENJSFAOQR-UHFFFAOYSA-N	234.064	-0.936	50	10	BBGE	
NNC(=O)CCCCCN1C[C@@H]2C[C@@H](O)[C@H]2C1	1946109619	IVJKDXNFPKVBEY-GARJFASQSA-N	241.335	-0.151	50	10	BBGE	
COCCN(CCCC(=O)NN)[C@H]1CCOC1	1946753871	NWJUVTYFRPFFEM-JTQLQIEISA-N	245.323	-0.506	50	10	BBGE	
O=C(CBr)N1CC(F)(CO)C1	1953330526	FIXQHBKIXPMURS-UHFFFAOYSA-N	226.045	-0.076	50	10	BBGE	
O=S(=O)(CCl)N1C[C@H](O)[C@H]2COC[C@H]21	1955240590	OKEUMRQMLRUWQN-XVMARJQXSA-N	241.696	-0.796	50	10	BBGE	
C[C@H]1CC(=O)NCCN1C[C@@H](O)CCl	1956255971	HAXGLIUGDXZQNU-YUMQZZPRSA-N	220.700	-0.204	50	10	BBGE	
CC[C@H](Cl)C(=O)N1C[C@@H](O)C[C@H]1C(N)=O	1958797061	GRCZGRKMFAZADO-ACZMJKKPSA-N	234.683	-0.549	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)N1CCC1	1958967968	SILWSCGPRQCDKE-UHFFFAOYSA-N	227.054	-0.940	50	10	BBGE	
NC(=O)[C@H]1CN(CCCCl)C[C@@H]1C(N)=O	1960155207	FGXBNXHBKPHNQR-BQBZGAKWSA-N	233.699	-0.866	50	10	BBGE	
O=C1CC2(CN1)CN(S(=O)(=O)CCl)C2	1965789862	GOODWQFMQMXBLJ-UHFFFAOYSA-N	238.696	-0.666	50	10	BBGE	
CC(C)(C)Cn1cc(B(O)O)ccc1=O	1975101272	PUWFSRUCUZHNPK-UHFFFAOYSA-N	209.054	-0.426	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1CC[C@H]2C[C@H]21	1979019257	LDBDLGSCENXDIU-IVZWLZJFSA-N	227.308	-0.277	50	10	BBGE	
CO[C@@H](C)CCn1nc(C)c(B(O)O)c1C	1979030746	ZXBVAGPZTAJFAM-ZETCQYMHSA-N	226.085	-0.395	50	10	BBGE	
C[C@@H]1C[C@H]1OCc1nn(C)cc1C(=O)NN	1980591766	BPHALLSBBBBRQA-HZGVNTEJSA-N	224.264	-0.051	50	10	BBGE	
C[C@@H]1CCN1Cc1nn(C)cc1C(=O)NN	1980592131	GAXFWIKXGICIPG-SSDOTTSWSA-N	223.280	-0.382	50	10	BBGE	
O=C1CN(C(=O)CCCCl)CCN1CCO	1981025105	VOQXLXRELTYGPJ-UHFFFAOYSA-N	248.710	-0.332	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[S@]1=O	1981191634	LJQWKWRQCGIFED-RXKWCEQPSA-N	245.348	-0.935	50	10	BBGE	
C[C@@H]1C[S@](=O)CCN1CC1(C(=O)NN)CC1	1981192366	QWRLAWXLOOMUQN-VPTHRUTESA-N	245.348	-0.791	50	10	BBGE	
Cc1ncnc(N2CC3(CC3)C2)c1B(O)O	1981448127	YAKGVSAXLVKBJH-UHFFFAOYSA-N	219.053	-0.935	50	10	BBGE	
OB(O)c1cnn(C[C@@H]2C[C@@H]2C(F)(F)F)c1	1986781501	CHANUJSUDLQFSM-FSPLSTOPSA-N	233.986	-0.239	50	10	BBGE	
CO[C@@]1(CN(C)[C@@H](C)C(=O)NN)CCSC1	1987015729	VLTJXEQTUGOCPL-WCBMZHEXSA-N	247.364	-0.181	50	10	BBGE	
O=C(NCB(O)O)c1ccn(C2CCC2)n1	1987221359	HZGXPLIOYNSSCR-UHFFFAOYSA-N	223.041	-0.650	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)C1(CCO)CC1	1988601032	FYIYKEMAOMISJC-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
COC(=O)C1(N)CC(NC(=O)[C@H]2C[C@H]2Cl)C1	1991681764	DAPLGCXLQNBLDJ-IUBIVETDSA-N	246.694	-0.237	50	10	BBGE	
C[C@H]1[C@@H](OCCC(=O)NN)C2CCN1CC2	1992113895	OQMIBTCQVMOAKW-GZMMTYOYSA-N	227.308	-0.134	50	10	BBGE	
COC[C@](C)(CN(C)[C@H](C)C(=O)NN)OC	1992135286	MBHRGQDWBBBFPN-SCZZXKLOSA-N	233.312	-0.652	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H](O)C2(CCC2)C1	2000815607	WBZKJAPVEPNIIU-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CCN1CCC(COCCO)CC1	2002248443	LOQJNHFIBGBKPI-UHFFFAOYSA-N	245.323	-0.913	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CC(F)(F)C1	2004916622	NLWRTDZMGOHQTI-UHFFFAOYSA-N	243.022	-0.610	50	10	BBGE	
COCC1(N(C)c2ccncc2B(O)O)CC1	2004928787	GNISUVNWJUMODC-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)c1ncccc1B(O)O	2004934027	OYGXSZQJMAEMSL-NXEZZACHSA-N	236.080	-0.625	50	10	BBGE	
CN(Cc1ccoc1)c1ccncc1B(O)O	2004936217	WMHDGMKPKOANJW-UHFFFAOYSA-N	232.048	-0.009	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C(=O)COC2=O)C1	2010835791	SGQYFGWZXULXFH-RNFRBKRXSA-N	241.247	-0.629	50	10	BBGE	
O=C(NCC#CB(O)O)C1CC(C(F)(F)F)C1	2021105347	QZSCPZKDLHDOPW-UHFFFAOYSA-N	248.997	-0.294	50	10	BBGE	
O=C(NCC#CB(O)O)c1ncoc1C(F)F	2021107148	OFUZBFRPFKKHJC-UHFFFAOYSA-N	243.962	-0.643	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1Cc2cncnc2C1	2025621021	FZDHOIWLZLLFAT-JTQLQIEISA-N	235.291	-0.193	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@]23CC[C@H]2CNC3)CC1	2033993379	WZLAPOBNVQGUPG-GWCFXTLKSA-N	249.314	-0.137	50	10	BBGE	
CCN(C[C@H]1C[C@@H]1C)c1ncnc(C)c1B(O)O	2052556287	LPALGOFWYKZHJD-WCBMZHEXSA-N	249.123	-0.053	50	10	BBGE	
O=C([C@@H]1C[C@H]1F)N1CCc2cc(B(O)O)ccc21	2055631143	LEFRWTNRPOCBFW-NXEZZACHSA-N	249.050	-0.387	50	10	BBGE	
CCOc1cc([N+](=O)[O-])c(B(O)O)cc1F	2060129367	KSSHVJYFWDWLME-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
CCOc1ccc(C=O)c(B(O)O)c1C	2060136774	HLSXDCXGQXIWKX-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
O=Cc1c(B(O)O)ccc(F)c1OC(F)F	2060263693	UMDHCXXRDBUWRJ-UHFFFAOYSA-N	233.938	-0.081	50	10	BBGE	
COCc1nccn1-c1nc(C)ccc1B(O)O	2061996341	LXMOULSTDIXLCP-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
O=C(CS)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	2209300917	QYXWZQACWONMNK-RFZPGFLSSA-N	243.737	-0.563	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)Cc1nscc1B(O)O	2211137126	BBPZUSOFYYMCMS-JGVFFNPUSA-N	240.137	-0.089	50	10	BBGE	
CN(CC1CCC1)c1cc(B(O)O)ccn1	2212606677	YFDQNXKIUGAIRJ-UHFFFAOYSA-N	220.081	-0.002	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1cc(B(O)O)ccn1	2212606799	AKYPZYKQVNOCJZ-IUCAKERBSA-N	222.053	-0.980	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1CC(CO)C1	2215775176	GGCUCDBDIWZVJZ-VGRIYTJTSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCN1C[C@H]2CCCC[C@]2(CO)C1	2216732298	XEYGPGJRCDPQCT-ZYHUDNBSSA-N	241.335	-0.149	50	10	BBGE	
C[C@H]1CC(=O)N1CC1(C(=O)NN)CCOCC1	2216865533	XKRVQRDLALPDOO-QMMMGPOBSA-N	241.291	-0.606	50	10	BBGE	
Cc1cnc(Sc2cnn(C)c2)cc1B(O)O	2217166160	LBYXMTQUTAAAIK-UHFFFAOYSA-N	249.104	-0.045	50	10	BBGE	
CC[C@H](CN(C)C)Oc1ccc(B(O)O)cn1	2217171748	GIORMEAIDOYFAJ-SNVBAGLBSA-N	238.096	-0.520	50	10	BBGE	
CC[C@H](Oc1cc(B(O)O)c(C)cn1)[C@@H](C)N	2217174744	YCADKYIGYIQXRJ-SCZZXKLOSA-N	238.096	-0.426	50	10	BBGE	
C[C@H](Nc1ncccc1B(O)O)c1cnn[nH]1	2217175704	MJXLTKKJMDVEHA-LURJTMIESA-N	233.040	-0.947	50	10	BBGE	
C#C[C@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2217183465	LLWIGFMSQZFOOM-JTQLQIEISA-N	230.076	-0.471	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2CCCOCC2)nc1	2217184926	SHRCDFPPJDGHLW-SECBINFHSA-N	237.068	-0.863	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCNC2)c1	2217188947	WFKGUCWKAIHRPI-SECBINFHSA-N	236.080	-0.860	50	10	BBGE	
OB(O)c1cnc(N2C[C@H]3CC=C[C@H]2C3)nc1	2217200724	VLHVYXNMCVTAPF-WPRPVWTQSA-N	231.064	-0.689	50	10	BBGE	
CC(C)(C)[C@@H](O)CNc1ccc(B(O)O)cn1	2217201089	NZYHLAZGTPMSQM-VIFPVBQESA-N	238.096	-0.420	50	10	BBGE	
C[C@]12CC[C@@H](Nc3ncc(B(O)O)cn3)[C@H]1C2	2217205199	VKCNXTDKBQTHND-FXPVBKGRSA-N	233.080	-0.243	50	10	BBGE	
COc1ccncc1Nc1ncccc1B(O)O	2223632510	KLYGOEHDWNKBGZ-UHFFFAOYSA-N	245.047	-0.091	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)[C@H]3CC[C@H]32)nc1	2223651559	XUNVMDSXXBSMLQ-AXFHLTTASA-N	248.091	-0.889	50	10	BBGE	
Cc1cnc(Nc2cncnc2C)cc1B(O)O	2223652062	GCXDJIPZJATYMM-UHFFFAOYSA-N	244.063	-0.088	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CN[C@@H]3CCC[C@@H]23)nc1	2223669558	LINSTHKZOOEARF-GMTAPVOTSA-N	247.107	-0.686	50	10	BBGE	
N[C@@H]1C[C@H](Nc2ccc(B(O)O)cn2)C12CCC2	2223670083	SHRIMQBOONSCGE-ZJUUUORDSA-N	247.107	-0.557	50	10	BBGE	
C[C@]1(CNc2ncccc2B(O)O)CCCCN1	2223676001	ZYEIDGYKZOZZII-GFCCVEGCSA-N	249.123	-0.295	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CS[C@H]1CCNC1	2241942103	RXSZGZYEKSRUKJ-CSMHCCOUSA-N	215.322	-0.293	50	10	BBGE	
O=C(N[C@H]1CCCOCC1)C1(B(O)O)CC1	2243363568	IYFUCIBXHOXTIG-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1cn[nH]c1	2243364544	YTKRYBLXPLQYTQ-LURJTMIESA-N	223.041	-0.406	50	10	BBGE	
C[C@H](NC(=O)c1sncc1B(O)O)C1CC1	2243385372	HKYQFUAXZSSMMB-YFKPBYRVSA-N	240.093	-0.649	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1CCC[C@H]2C[C@@H]21	2243400315	YYBDIRSZKFENRP-LPEHRKFASA-N	221.065	-0.351	50	10	BBGE	
O=C(C#CB(O)O)NCCCOC(F)(F)F	2243404161	KIHUGCOGQGMWSB-UHFFFAOYSA-N	238.958	-0.956	50	10	BBGE	
C=CCNC(=O)c1ccc(B(O)O)c(F)c1	2243408840	WHTPJBFFMQCPNH-UHFFFAOYSA-N	223.012	-0.579	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1cscc1B(O)O	2243411019	MCRGFYWRPQVZGS-ZETCQYMHSA-N	237.089	-0.431	50	10	BBGE	
O=C(NC1CC(F)C1)c1cc(B(O)O)co1	2244209480	BHHPNSNHISRXFQ-UHFFFAOYSA-N	227.000	-0.810	50	10	BBGE	
NC(=O)CCCCNC(=O)C1(B(O)O)CCC1	2247735261	XZLPHQFKMMCBML-UHFFFAOYSA-N	242.084	-0.845	50	10	BBGE	
CCn1cc(B(O)O)cc1C(=O)NCC1CC1	2247761960	YNTCNLGADANERK-UHFFFAOYSA-N	236.080	-0.672	50	10	BBGE	
C[C@H]1CC(=O)N1C(=O)c1ccc(B(O)O)cc1	2247771608	MXKHAJOWUAEEMX-ZETCQYMHSA-N	233.032	-0.873	50	10	BBGE	
C=CC[C@](C)(CO)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247797022	FQKZLDZIRHCPOP-YWVKMMECSA-N	241.096	-0.460	50	10	BBGE	
C[C@@H]1CCN(C(=O)C2CC(B(O)O)C2)CCO1	2247798804	XHTRKUQSSMAEJI-XNWIYYODSA-N	241.096	-0.123	50	10	BBGE	
O=C(NCC1CC2(CCN2)C1)[C@H]1C[C@@H]1B(O)O	2247809984	SWCJEGLXKLGAST-QMFGVRBNSA-N	238.096	-0.892	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	2247810146	VEXMPOHZHJDEPO-DOAIJALUSA-N	235.092	-0.038	50	10	BBGE	
CC(C)(C)C[C@H](CO)CNC(=O)C#CB(O)O	2247849893	GQIRDZPFJLVOPP-VIFPVBQESA-N	241.096	-0.837	50	10	BBGE	
CCCN(OC)C(=O)c1ccncc1B(O)O	2247855142	NWJRXRZHZOTOAL-UHFFFAOYSA-N	238.052	-0.825	50	10	BBGE	
Cc1cc(C(=O)N[C@H]2CC2(F)F)oc1B(O)O	2247855492	TVMIHDYYLRILLN-LURJTMIESA-N	244.990	-0.595	50	10	BBGE	
Cc1cc(NC(=O)c2ccoc2B(O)O)on1	2247866243	IVIZOGSBYKTENH-UHFFFAOYSA-N	235.992	-0.492	50	10	BBGE	
O=C(Nc1ccccn1)c1ncsc1B(O)O	2247870666	NRLCPOFQYYAFDX-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1COCC1(F)F	2247871915	JLLBMKLRYOSMCK-LURJTMIESA-N	249.022	-0.514	50	10	BBGE	
O=C(NC1CC2(CCOC2)C1)[C@H]1C[C@H]1B(O)O	2247887710	RBOZVOFMEVBBKE-UVCIYIGYSA-N	239.080	-0.465	50	10	BBGE	
CN(C[C@H]1C[C@@H](O)C1)C(=O)C1CC(B(O)O)C1	2247892406	ADFFZAZQCISZGU-RZEHBIPHSA-N	241.096	-0.531	50	10	BBGE	
C[C@@]1(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)CCN1	2247896921	LZSRBSGSBMDOLM-FXPVBKGRSA-N	240.112	-0.502	50	10	BBGE	
C[C@H](CCN)CCNC(=O)C1CC(B(O)O)C1	2248441538	GNRJBPPJJUFDIK-XNWIYYODSA-N	242.128	-0.269	50	10	BBGE	
O=C(O)C1CC(NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2248590438	DGLGGSIOJQUKEM-RXCPLCGOSA-N	241.052	-0.781	50	10	BBGE	
COCCOCCCN1CCC(B(O)O)CC1	2249359895	ZDHDEOPHJSSXOS-UHFFFAOYSA-N	245.128	-0.022	50	10	BBGE	
C=C1CC(N(C)C(=O)c2cocc2B(O)O)C1	2249429417	IWNOCLPKZJMXPR-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
Cn1ncc(C(=O)NN)c1COC1(C)COC1	2250805332	ZWRSXIKFJKKHED-UHFFFAOYSA-N	240.263	-0.671	50	10	BBGE	
C=CCC1(C)CN(C(=O)c2ccc(B(O)O)o2)C1	2255476313	JSXIMJJAIKEFEH-UHFFFAOYSA-N	249.075	-0.002	50	10	BBGE	
C#CC(C)(C)NC(=O)c1cccc(C)c1B(O)O	2255510280	UTWQXENZUOJQMH-UHFFFAOYSA-N	245.087	-0.184	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CCCC12CC2	2255524132	VUHPQLWHAWZFFJ-UHFFFAOYSA-N	246.075	-0.470	50	10	BBGE	
CCC[C@@H]1CCN1C(=O)c1cncc(B(O)O)c1	2255524605	YEFZVLLXVVNOOR-LLVKDONJSA-N	248.091	-0.224	50	10	BBGE	
COc1cc(C(=O)NC2CCC2)ccc1B(O)O	2255553817	CYBSFUYRRYSSAB-UHFFFAOYSA-N	249.075	-0.343	50	10	BBGE	
Cc1cc(C)nc(CNC(=O)[C@@H]2C[C@@H]2B(O)O)n1	2255571810	RZFQURAJTFCQLV-BDAKNGLRSA-N	249.079	-0.427	50	10	BBGE	
O=C(NC[C@H]1CC12CCC2)c1cc(B(O)O)c[nH]1	2255664835	WXVUOWUJBSOBOV-MRVPVSSYSA-N	248.091	-0.386	50	10	BBGE	
O=C(N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccoc1B(O)O	2255716059	NXWMJPOCMPIFLM-GVECUJGRSA-N	247.059	-0.656	50	10	BBGE	
O=C(N[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1occc1B(O)O	2255737267	BYKNVXHSGHTDBI-ZABDLSDTSA-N	247.059	-0.656	50	10	BBGE	
O=C(Nc1cccc(F)n1)c1cc(B(O)O)co1	2258138178	HBUPHMUGVGIUAB-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC[C@H]2[C@H](C[C@H]2O)C1	2297960916	DICTTYYUIYLCIG-UNQZSWDGSA-N	241.335	-0.296	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]1[C@H]2CO	2298164935	QYSFJYWAYSROGK-XXFSISAASA-N	239.319	-0.685	50	10	BBGE	
NC[C@]12CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298369856	HQEYYCLZZLBRHC-SJQPAMGKSA-N	238.096	-0.953	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O)C1(B(O)O)CC1	2298375089	PIJDOXADURCBAV-MAUMQABQSA-N	239.080	-0.731	50	10	BBGE	
CO[C@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298376064	GNBPLYSTIQRFAR-AXTSPUMRSA-N	241.096	-0.267	50	10	BBGE	
CCC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298377499	TUVKDBDUUQZSDK-FXPVBKGRSA-N	241.096	-0.387	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)C1CC(O)C1	2300385686	XFFXDXQALNKUED-AGVGLQIMSA-N	241.335	-0.152	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N[C@H]1CC[C@H]1O	2301344984	ANIYLQIAZMORLX-WDEREUQCSA-N	232.048	-0.827	50	10	BBGE	
CCCNC(=O)[C@H](C)N1CC[C@@](C)(B(O)O)C1	2303131844	CZAXOPRTKSYHRC-GXSJLCMTSA-N	242.128	-0.160	50	10	BBGE	
CO[C@H]1COCCN([C@H](C(=O)NN)C(C)C)C1	2306798485	FTWWJMAWRAQANB-ZJUUUORDSA-N	245.323	-0.652	50	10	BBGE	
OC[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1B(O)O	2312613937	SPRGTPTWAOTEEN-NGZCFLSTSA-N	248.091	-0.889	50	10	BBGE	
C[C@@H]1NCC[C@H]1Oc1ccc(B(O)O)cc1C#N	2317150555	GTLLLELBJIEEOP-GZMMTYOYSA-N	246.075	-0.633	50	10	BBGE	
Cc1ccc(CN(C)C(=O)C#CB(O)O)nc1C	2319846210	UTANSYDBHOIWGZ-UHFFFAOYSA-N	246.075	-0.328	50	10	BBGE	
CNC(=S)/C(C#N)=C(\N)N1CCN(C)CC1	33493182	BMXMHGCHHFOGAT-CMDGGOBGSA-N	239.348	-0.526	50	10	BBGE	
COC(=O)/C(C#N)=C1\N[C@@H](C(=O)OC)CS1	71781359	GXOBXZSOIRAYSN-LUFONEFESA-N	242.256	-0.227	50	10	BBGE	
CC(=O)NNC(=O)CS[C@H](C)CN	85308834	BJDDCUMZOXCWSM-RXMQYKEDSA-N	205.283	-0.766	50	10	BBGE	
CN1CCN(C[C@@H](Cl)C#N)C(=O)C1=O	132587382	ICMASEHKUXPWAQ-LURJTMIESA-N	215.640	-0.582	50	10	BBGE	
CCC[C@H](C(=O)NN)n1cnc(C#N)c1C#N	156312655	FOCQDAVJYAFYEY-MRVPVSSYSA-N	232.247	-0.042	50	10	BBGE	
O=C(CCCl)NC[C@]1(O)CCOC1	227128060	RXWVBVUTKBLASA-MRVPVSSYSA-N	207.657	-0.117	50	10	BBGE	
CC[C@@H](O)CNS(=O)(=O)CCCl	232301437	ZVZICYIAWDGMCF-ZCFIWIBFSA-N	215.702	-0.085	50	10	BBGE	
COC[C@@H](Oc1cccnc1C)C(=O)NN	232418536	MGOGDYCBISBCGC-SECBINFHSA-N	225.248	-0.226	50	10	BBGE	
C[C@@]1(O)CCN(CCCC(=O)NN)C1	235416250	XJGAVUPFAFOMMF-SECBINFHSA-N	201.270	-0.787	50	10	BBGE	
NC1(c2ccc(Cl)c(B(O)O)c2)CC1	238564789	LVHQNHBJTCCEDQ-UHFFFAOYSA-N	211.457	-0.032	50	10	BBGE	
NNC(=O)[C@H](N)c1ccc(F)c(F)c1	259034130	RUAZGIMDXGFSLA-SSDOTTSWSA-N	201.176	-0.046	50	10	BBGE	
COc1ccccc1C[C@@H](N)C(=O)N(C)N	259064940	MVRBPKUKKJPKAK-SECBINFHSA-N	223.276	-0.103	50	10	BBGE	
CSC1CCN(C(=O)C(=O)NN)CC1	300782539	BRTMBCYKSRECCM-UHFFFAOYSA-N	217.294	-0.670	50	10	BBGE	
C[C@H](Cl)C(=O)N1CCOC[C@@H](O)C1	306717168	GLVQNMDNZWGWQA-BQBZGAKWSA-N	207.657	-0.167	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC[C@@H](N)C1	308242735	NXOLWHUEXGLORY-HTQZYQBOSA-N	200.286	-0.822	50	10	BBGE	
Nc1cnnc(NNC(=O)[C@H]2CCO2)c1Cl	309559973	OAEAIKMRGHVILY-RXMQYKEDSA-N	243.654	-0.056	50	10	BBGE	
C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NN	379806570	MMIFPZAPPSFNHH-BDAKNGLRSA-N	215.297	-0.398	50	10	BBGE	
COCCOCCN(C)C[C@H](C)C(=O)NN	380976650	HGHSGPFWOWRTRR-VIFPVBQESA-N	233.312	-0.793	50	10	BBGE	
COCC(=O)NN=C1CC(C(=O)O)C1	382415887	VYUBVGHQGCDWHY-UHFFFAOYSA-N	200.194	-0.400	50	10	BBGE	
C[C@H](N(C)CCCC(=O)NN)C(C)(C)O	382919423	CRMYGYKXUNYFAQ-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
COC(=O)C(=O)NN=Cc1cccnc1N	390329711	KHDCOCNOUZMOJS-UHFFFAOYSA-N	222.204	-0.713	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN2CC[C@H]1C2	394337300	VGZHHYZQCDYTJJ-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
COC(=O)c1nc2cccc(B(O)O)c2o1	396121565	VNHAFOYZXRQZFR-UHFFFAOYSA-N	220.977	-0.706	50	10	BBGE	
N#Cc1c(B(O)O)ccc2cc(CO)sc12	396230046	XIPWWLCKRLFKAM-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
O=C(Nc1ncc(B(O)O)s1)C1CC1	404953330	UICPOYKQFJHJCA-UHFFFAOYSA-N	212.039	-0.829	50	10	BBGE	
OB(O)c1cnn(CCOC(F)(F)F)c1	694542465	CFUPIMZUHJDJKX-UHFFFAOYSA-N	223.947	-0.901	50	10	BBGE	
Cc1nccnc1CN(C)[C@@H](C)C(=O)NN	704146106	ODHCSLVZHRYRAS-QMMMGPOBSA-N	223.280	-0.405	50	10	BBGE	
C[C@H](CN(C)[C@@H]1CCC[C@H]1O)C(=O)NN	708052187	VMGDSBQUZNWQNT-IWSPIJDZSA-N	215.297	-0.542	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCC[C@](C)(CO)C1	708285781	AHZBHLJHPPTEII-KOLCDFICSA-N	245.323	-0.914	50	10	BBGE	
C[C@H](Cl)C(=O)N(C)[C@@H]1COC[C@@H]1O	709111747	WGSWLYSCVVFXDP-XVMARJQXSA-N	207.657	-0.168	50	10	BBGE	
NNC(=O)c1cccnc1CN1C[C@H]2C[C@H]2C1=O	715552965	WUOLDAILIMMUJN-VXNVDRBHSA-N	246.270	-0.337	50	10	BBGE	
CCN(CC(=O)NN)C1CCOCC1	716483183	RDZDNXCCWNLHEE-UHFFFAOYSA-N	201.270	-0.523	50	10	BBGE	
C=C[C@@H](CO)N1[C@H]2CC[C@H]1C(=O)OC2=O	717437840	RMXOTNFKHAADKG-FXQIFTODSA-N	211.217	-0.550	50	10	BBGE	
C[C@H](CN1CCS[C@H](CCO)C1)C(=O)NN	720093190	XZGPYVNLHMVHDW-RKDXNWHRSA-N	247.364	-0.588	50	10	BBGE	
COc1nscc1CN(C)CC(=O)NN	723206800	TVTBMHONNYNJLR-UHFFFAOYSA-N	230.293	-0.427	50	10	BBGE	
NC(=O)[C@H]1C[C@@H](NC(=O)NNc2ccccn2)C1	845445590	QNFUDDYJXFSADG-OCAPTIKFSA-N	249.274	-0.028	50	10	BBGE	
CC[C@H](NNC(=O)c1cnsn1)C(=O)OC	905820764	GYYIKLGEANDMOU-YFKPBYRVSA-N	244.276	-0.276	50	10	BBGE	
CCNC(=O)NNC(=O)[C@H](OC)[C@H]1CCOC1	1328185062	NMOFVDQVOGFVRG-JGVFFNPUSA-N	245.279	-0.612	50	10	BBGE	
C=C[C@](C)(O)CC(=O)NNC(=O)c1ncon1	1456598430	QFRDSJKHESGIKG-VIFPVBQESA-N	240.219	-0.842	50	10	BBGE	
COC(=O)NNC(=O)CCc1nc[nH]n1	1472476247	JSUFYUXXXWMZEN-UHFFFAOYSA-N	213.197	-0.876	50	10	BBGE	
O=C(NNC(=O)N1CCOCC1)[C@@H]1CC1(F)F	1625943376	KLAPISLZQUPBNC-LURJTMIESA-N	249.217	-0.285	50	10	BBGE	
C[C@@]1(C(=O)NNC(=O)CO)CC1(F)F	1650909497	ATMPYCHBQZLFDI-LURJTMIESA-N	208.164	-0.829	50	10	BBGE	
C[C@@H](Br)C(=O)NCC[C@H](O)CO	1880868350	HYMOKDAHVZJOQF-RITPCOANSA-N	240.097	-0.371	50	10	BBGE	
CCn1nnc(C[C@@H](N)CBr)n1	1881434829	OFSSBQFCVWEPJG-RXMQYKEDSA-N	234.101	-0.042	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H](CO)[C@@H](C)O	1881838279	PLSMRJNJAPQVJV-XVMARJQXSA-N	209.673	-0.138	50	10	BBGE	
Cc1c(N)c(C)c(B(O)O)c(C)c1CC(=O)O	1887518602	QXPOJEPXKXDLIJ-UHFFFAOYSA-N	237.064	-0.499	50	10	BBGE	
C[C@H](Cl)c1nnnn1N(C)S(C)(=O)=O	1888562231	RKSSDWPMDUUXHI-BYPYZUCNSA-N	239.688	-0.500	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C=CS(=O)(=O)C=C1	1895477385	WDBPRPJDAIZBHA-JGVFFNPUSA-N	243.288	-0.715	50	10	BBGE	
Cc1nn(C[C@@H]2C[C@@H]2CF)c(C)c1B(O)O	1896772673	UFBVKMQETFLMBF-BDAKNGLRSA-N	226.060	-0.215	50	10	BBGE	
C=CC[C@H]1CCC[C@@H]1NC(=O)C#CB(O)O	1900366919	JXCBGDFUFGPRPH-UWVGGRQHSA-N	221.065	-0.137	50	10	BBGE	
C[C@H](SCCOC1CNC1)C(=O)NN	1900433305	FHKRLWBLFXSCRF-LURJTMIESA-N	219.310	-0.914	50	10	BBGE	
O=C1C[C@@H](NC(=O)[C@@H]2C[C@H]2Cl)C(=O)N1	1905558853	NBUDVUZSMMROOP-UOWFLXDJSA-N	216.624	-0.855	50	10	BBGE	
Cc1ccn(C[C@H](C)C(=O)NN)c(=O)n1	1912262084	PRZSQYXMXTZJRA-LURJTMIESA-N	210.237	-0.822	50	10	BBGE	
C[C@H](C(=O)Nc1ncccc1B(O)O)C1CC1	1913666877	BQPLIPXCVRUWTC-ZETCQYMHSA-N	234.064	-0.254	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917100122	FUSFFASTVCGRQM-KCJUWKMLSA-N	247.314	-0.203	50	10	BBGE	
C[C@H](CN1C[C@@H](O)CC(C)(C)C1)C(=O)NN	1923153724	AXHNHULWQPUEHP-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
CCn1cc(C(=O)NNC(N)=S)c(C)n1	1927723426	IBLGDASRCKTIJN-UHFFFAOYSA-N	227.293	-0.311	50	10	BBGE	
CN(C)C(=O)CSC[C@H]1C[C@H]1C(=O)NN	1927917760	MPXZJORVLVBQOB-RNFRBKRXSA-N	231.321	-0.566	50	10	BBGE	
CCCN(CCOCC(=O)NN)C1CC1	1928183184	PDOMDKZQBZFCDY-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
C[C@@H]1CCC(F)(F)CN1C(=O)C(=O)NN	1928329432	ZXSUMTPKGXXADP-RXMQYKEDSA-N	221.207	-0.378	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3OCC[C@H]32)CC(=O)O1	1931660750	IKNOSPLRHQHOOX-XLPZGREQSA-N	211.217	-0.451	50	10	BBGE	
C[C@H]1COCCCN1CC(F)(F)C(=O)NN	1935926986	XAKRBEWCMUDIIU-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
CCOc1cnn(C[C@H]2C[C@H]2C(=O)NN)c1	1936084429	NITUWOZZSKHONF-VXNVDRBHSA-N	224.264	-0.092	50	10	BBGE	
CN(CCOCC(=O)NN)C1CC(F)(F)C1	1936710624	LYBKCKXSFMVAQH-UHFFFAOYSA-N	237.250	-0.278	50	10	BBGE	
C[C@@H](O)CN(CC1(C(=O)NN)CC1)C1CC1	1938249002	OCCSKPDJXKHJOZ-MRVPVSSYSA-N	227.308	-0.398	50	10	BBGE	
CN(C[C@H]1CCCOC1)C[C@@H]1C[C@H]1C(=O)NN	1941095058	RTHKKKHZURFKFR-OUAUKWLOSA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](Br)C(=O)NC1(C(N)=O)CC1	1953484623	UZUSKOIYWDGACX-SCSAIBSYSA-N	235.081	-0.096	50	10	BBGE	
O=C(CCl)NC[C@@H]1C[C@H](CO)CO1	1954312432	XCFWBEGYXXUETO-RQJHMYQMSA-N	207.657	-0.261	50	10	BBGE	
CC(=O)NC1CN(C[C@H](O)CCl)C1	1954820741	MMPJURIUBRUBRY-MRVPVSSYSA-N	206.673	-0.594	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	1955242109	UFDYFXZFPYGTCX-YWIQKCBGSA-N	219.668	-0.168	50	10	BBGE	
OB(O)c1cccnc1OCC(F)F	1956966953	BBUNOUCSJKAIDO-UHFFFAOYSA-N	202.953	-0.595	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1cocn1	1958690762	AECSBKLWWBEEFA-ZETCQYMHSA-N	212.253	-0.125	50	10	BBGE	
CN1CCN(CCCC(=O)NN)[C@@H]2C[C@@H]21	1960967092	PSAKHUXXOSDQGV-DTWKUNHWSA-N	212.297	-0.855	50	10	BBGE	
CC(C)N1CCCN(CC(=O)NN)CC1	1961247284	FRASWPWTXLVYOV-UHFFFAOYSA-N	214.313	-0.608	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2nc(B(O)O)cs2)CO1	1961697850	ZAKCXWJUOCDIKF-PHDIDXHHSA-N	229.066	-0.621	50	10	BBGE	
CO[C@@H]1CC[C@@H](CN(C)CC(=O)NN)C1	1962364693	GCSYWYYLQWUEJF-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1ccccc1O	1962400237	YTVFCUCNEZPERW-UHFFFAOYSA-N	230.245	-0.278	50	10	BBGE	
COC[C@@H]1CCOCCN1[C@@H](C)C(=O)NN	1977065855	LZASLAOUBXXPIR-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CCN(C)C[C@H]1CCCN(CC(=O)NN)C1	1980809147	GERZZAIZLYURRX-SNVBAGLBSA-N	228.340	-0.360	50	10	BBGE	
C[C@H]1CN(c2ncc(B(O)O)cn2)CCS1	1981409168	JPQTWYGZDLAURT-ZETCQYMHSA-N	239.109	-0.902	50	10	BBGE	
CO[C@H]1C[C@@H](CF)N(CCCC(=O)NN)C1	1988723167	NNRSOPJWPHSYGX-IUCAKERBSA-N	233.287	-0.185	50	10	BBGE	
CC(=O)NNS(=O)(=O)c1cc(N)ccc1C	1989370998	GRYVGACSEPXCNQ-UHFFFAOYSA-N	243.288	-0.093	50	10	BBGE	
C[C@H](O)[C@@H]1CCCN1CC1(C(=O)NN)CC1	1990041199	OQKUCAHKOKCOII-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
CN(C)C[C@](C)(O)CNC(=O)C=CC(=O)Cl	1991650868	FUEJOYTURBDVQG-SNVBAGLBSA-N	248.710	-0.263	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOC[C@@H]1[C@@H](O)CO	1991684547	DYRKRCYKDWFDTB-XAVMHZPKSA-N	249.694	-0.806	50	10	BBGE	
CO[C@H]1C[C@@H](CN)N(C(=O)/C=C/C(=O)Cl)C1	1991712844	LRYBJOOYFCOLMR-HZIBQTDNSA-N	246.694	-0.117	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H]2COC[C@@H]21	1992328929	QFDQFODBDFQYSS-JLIMGVALSA-N	225.292	-0.667	50	10	BBGE	
C[C@H](CO)SCC12CC(C(=O)NN)(CO1)C2	1993888730	ICWJZHYUNUOIDJ-CUUXFQNZSA-N	246.332	-0.361	50	10	BBGE	
NNC(=O)C12COC(CN3CCCC3)(C1)C2	1993891104	MMZVVFLDRHQIBY-UHFFFAOYSA-N	225.292	-0.379	50	10	BBGE	
N#C[C@H](Cl)CN1CCn2c(CN)nnc2C1	1994046415	JSBFCCXJPQHCPG-ZETCQYMHSA-N	240.698	-0.317	50	10	BBGE	
CC1(C)CC[C@H]1Oc1ncncc1B(O)O	1994638732	XZFFUQPECOSQEG-MRVPVSSYSA-N	222.053	-0.276	50	10	BBGE	
COCC1(N(C)c2ncccc2B(O)O)CC1	2004936467	ZUXHABJLPZHTNY-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
O=c1ccc(B(O)O)cn1CC[C@H]1CCCO1	2008841219	XNKKIFUPMZKKIP-SNVBAGLBSA-N	237.064	-0.903	50	10	BBGE	
CCC1(O)CN(C[C@H]2CC[C@H](C(=O)NN)C2)C1	2010834662	FXAQMXMLLMXIOU-UWVGGRQHSA-N	241.335	-0.151	50	10	BBGE	
CO[C@H]1C[C@@H](CNC(=O)C(=O)NN)C12CCC2	2016044378	WYDLRERVENVFLY-YUMQZZPRSA-N	241.291	-0.702	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1CCOC12CCCC2	2016129414	BYHPHDLRRYUUPC-QMMMGPOBSA-N	241.291	-0.558	50	10	BBGE	
OB(O)c1ccn(CC23CCC(CC2)OC3)n1	2017691462	PKHQRRYDNZHXSY-UHFFFAOYSA-N	236.080	-0.478	50	10	BBGE	
C[C@]12CCO[C@](Cn3ccc(B(O)O)n3)(C1)C2	2018179540	KGCDVJPNLUACHR-PHIMTYICSA-N	236.080	-0.478	50	10	BBGE	
C[C@H](CO)N(C)C[C@H]1CCC[C@H](C(=O)NN)O1	2018243535	UJLJTAJTYVTSQJ-OPRDCNLKSA-N	245.323	-0.773	50	10	BBGE	
CN(CC(=O)NNc1ccccn1)C1COC1	2019303838	XDCCHWBJGXGXGT-UHFFFAOYSA-N	236.275	-0.145	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1cocn1	2031815252	QIQOKKCVPKTMLF-UHFFFAOYSA-N	246.031	-0.716	50	10	BBGE	
C[C@]12CCCC[C@@H]1CN2c1ncncc1B(O)O	2052473530	WJECOKPMYJWLKR-SKDRFNHKSA-N	247.107	-0.075	50	10	BBGE	
Cc1ncnc(N(C)Cc2cnco2)c1B(O)O	2052555242	BKKURPTWYPWZMT-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@H]21)c1ccncc1B(O)O	2056383138	GZIZBIYWDFNCTD-YGOYTEALSA-N	248.091	-0.768	50	10	BBGE	
CCOc1ccc(C=O)c(F)c1B(O)O	2060120978	MEVVNHARBRUKBE-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCOc1c(C)ccc(B(O)O)c1C=O	2060147563	JYXQBCHJVKKGDU-UHFFFAOYSA-N	208.022	-0.114	50	10	BBGE	
COC[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1	2069652267	ZHSRZDDNHNVHOD-GZMMTYOYSA-N	249.075	-0.413	50	10	BBGE	
C=CC1(O)CN(Cc2ccc(C(=O)NN)nc2)C1	2074503623	BSDXTWYPZVHETQ-UHFFFAOYSA-N	248.286	-0.582	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1CC(=O)NN	2209758484	PYYYSXIIWPFSTI-CSMHCCOUSA-N	201.270	-0.933	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2[C@H](O)CCC[C@H]2C1	2210417879	MGGFWHIGVBAVTA-LPEHRKFASA-N	227.308	-0.541	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@@H](F)C[C@@H](O)C1	2210699206	FQJOIMNHYKJMRH-XSPKLOCKSA-N	233.287	-0.594	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H](F)[C@@H](F)C2)s1	2211072668	PCFZJRHKEPKVRU-YUMQZZPRSA-N	247.075	-0.080	50	10	BBGE	
C[C@]1(CO)C=CCN1CC1(C(=O)NN)CC1	2211783537	VQQTYZMVPPIWJD-SNVBAGLBSA-N	225.292	-0.621	50	10	BBGE	
CC[C@@H](O)[C@H](C)Nc1ccc(B(O)O)cn1	2212603740	QULANZFDCYSQFJ-IONNQARKSA-N	224.069	-0.667	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2C[C@@H](CF)C2)c1	2212604411	VWXRZFUMIFTMFN-OTSSQURYSA-N	224.044	-0.079	50	10	BBGE	
CC(C)[C@H](CN)Nc1ncccc1B(O)O	2212615399	OJDKQFFWYMSFFL-VIFPVBQESA-N	223.085	-0.843	50	10	BBGE	
NNC(=O)c1coc(CS[C@@H]2CCNC2)n1	2212628901	VESSTUUUPSIJJD-ZCFIWIBFSA-N	242.304	-0.127	50	10	BBGE	
CC(C)(CN1C[C@H](O)CCC12CC2)C(=O)NN	2214779392	DGMKFAKRCJQHTC-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
N#Cc1ncccc1OC[C@H]1C[C@@H]1C(=O)NN	2214887311	UVUPHPDTCAFUGR-SFYZADRCSA-N	232.243	-0.042	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2C[C@H]1CO2	2215776987	PZEBCPZSIPEPRX-XWLWVQCSSA-N	239.319	-0.134	50	10	BBGE	
CN(C[C@H](O)C1CC1)CC1(C(=O)NN)CCC1	2216490981	MSXCEONDSYQHGK-JTQLQIEISA-N	241.335	-0.151	50	10	BBGE	
COC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@]2(OC)C1	2216674722	KYXNJKOJYKBEKV-IQJOONFLSA-N	243.307	-0.898	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCC2=O)CCCC1	2216864124	AUIIDRNHWLBKFR-UHFFFAOYSA-N	239.275	-0.314	50	10	BBGE	
Cc1cnc(OC[C@@H]2C[C@H]2CN)cc1B(O)O	2217173827	QWXAMBWOOPNGIJ-IUCAKERBSA-N	236.080	-0.957	50	10	BBGE	
C[C@H]1CCO[C@H]1CNc1ccc(B(O)O)cn1	2217179326	JJUGSOZLYJJEAR-WPRPVWTQSA-N	236.080	-0.402	50	10	BBGE	
CCC[C@H](CO)CN=c1ccc(B(O)O)c[nH]1	2217183600	MBAKHWDXOTYWHD-VIFPVBQESA-N	238.096	-0.996	50	10	BBGE	
C[C@H](CO)[C@H](C)Nc1nccc(B(O)O)c1F	2217184917	SEHDUDBFWUUMRR-RQJHMYQMSA-N	242.059	-0.671	50	10	BBGE	
CC(C)OCCOc1nccc(B(O)O)c1F	2217191376	CINMSWMFNNTHSQ-UHFFFAOYSA-N	243.043	-0.296	50	10	BBGE	
C[C@@H]1CCOC[C@H]1Oc1cc(B(O)O)ccn1	2217193185	LHSRDRGQFKEWPF-PSASIEDQSA-N	237.064	-0.435	50	10	BBGE	
CCN(CC(C)(C)O)c1cc(B(O)O)ccn1	2217197306	ZPWXRUMBAGEVMR-UHFFFAOYSA-N	238.096	-0.641	50	10	BBGE	
N[C@H]1CCCC[C@H]1Nc1cc(B(O)O)ccn1	2217205274	WVDOHIKDSZBUDB-VHSXEESVSA-N	235.096	-0.557	50	10	BBGE	
CCN(c1ncccc1B(O)O)C1CCNCC1	2223631785	ASVBNSMMSSEPDD-UHFFFAOYSA-N	249.123	-0.660	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCC[C@H]2NCC3)c1	2223632336	IIXBWFHCGWRNMB-PWSUYJOCSA-N	247.107	-0.542	50	10	BBGE	
Cc1cnc(N2[C@H]3CC[C@@H]2CNC3)cc1B(O)O	2223641480	ULEFLGSMQRARCR-AOOOYVTPSA-N	247.107	-0.990	50	10	BBGE	
N#Cc1ccccc1Oc1ncc(B(O)O)cn1	2223654496	OBOQHBCJLHPGOH-UHFFFAOYSA-N	241.015	-0.180	50	10	BBGE	
C[C@@H]1CC[C@@H](CNc2ncccc2B(O)O)N1C	2223675099	PJZBJICSPPCMLE-ZJUUUORDSA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1cnc(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)nc1	2223678385	BAGPHGUCYYVLLH-YIKMNZTOSA-N	245.091	-0.387	50	10	BBGE	
O=C(Nc1cnsc1)[C@@H]1C[C@@H]1B(O)O	2241480307	JZFUKEGDKMGUBR-RITPCOANSA-N	212.039	-0.056	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H](F)C1	2241480810	MHFMBVQWUXFJGT-QYNIQEEDSA-N	201.006	-0.580	50	10	BBGE	
CC(C)(N)[C@H](O)C(=O)N[C@H]1C[C@H](Cl)C1	2241658733	HIZQUUQFVWFEJT-FSDSQADBSA-N	220.700	-0.029	50	10	BBGE	
C[C@@H](N[C@H]1C[C@H](Cl)C1)C(=O)NC(N)=O	2241671229	UPZNDPYOKHNLQR-HSUXUTPPSA-N	219.672	-0.071	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1CC2CC1C2	2243349176	HFVWLQVGZBRBBY-UHFFFAOYSA-N	221.021	-0.806	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)C1CC2(CC2)C1	2243356986	PPRFXMLPDHUOHF-MRVPVSSYSA-N	221.065	-0.303	50	10	BBGE	
O=C(c1csc(B(O)O)c1)N1CC[C@@H](F)C1	2243362164	NBSJXOGKYZCYDI-SSDOTTSWSA-N	243.068	-0.388	50	10	BBGE	
CC1(C)C[C@@H](O)CN1C(=O)C1(B(O)O)CC1	2243364004	PPNNKQOXTKIYCH-SSDOTTSWSA-N	227.069	-0.635	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@H]2F)sc1B(O)O	2243373937	BJBNDHHUKWLBHT-PHDIDXHHSA-N	243.068	-0.423	50	10	BBGE	
O=C(N[C@H](CO)C1CC1)[C@H]1C[C@H](B(O)O)C1	2243381151	CUCDWKVYFGVJIF-IWSPIJDZSA-N	227.069	-0.874	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2243397090	VKCXXTMDBYWMCF-VGMNWLOBSA-N	226.085	-0.811	50	10	BBGE	
CCCCCNC(=O)c1ccoc1B(O)O	2243399677	OTBRQEIAVFRWHK-UHFFFAOYSA-N	225.053	-0.121	50	10	BBGE	
CP(C)(=O)CNC(=O)c1cc(B(O)O)c[nH]1	2243400579	DGHRNOCVFKBWLN-UHFFFAOYSA-N	243.996	-0.996	50	10	BBGE	
CSC1CN(C(=O)c2coc(B(O)O)c2)C1	2243408268	KDZQGUNSRHCNTH-UHFFFAOYSA-N	241.077	-0.853	50	10	BBGE	
C#CCN(C)C(=O)c1cc(C)sc1B(O)O	2243414585	DIAZLWNVMZFXAR-UHFFFAOYSA-N	237.089	-0.558	50	10	BBGE	
CO[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417602	UZIRMHDPQNPYLV-HXFLIBJXSA-N	227.069	-0.610	50	10	BBGE	
CCCNC(=O)c1ccc(B(O)O)cc1O	2243434858	GPTVOMFLZZRJCE-UHFFFAOYSA-N	223.037	-0.788	50	10	BBGE	
O=C(NCCc1ncon1)C1(B(O)O)CCC1	2247735945	QLVWXGYJDZLOFB-UHFFFAOYSA-N	239.040	-0.875	50	10	BBGE	
C[C@H](Cn1cccn1)NC(=O)C1(B(O)O)CC1	2247754223	LHDCYGXDQCPVGB-MRVPVSSYSA-N	237.068	-0.605	50	10	BBGE	
O=C(NCCC[C@@H]1CCCN1)[C@@H]1C[C@@H]1B(O)O	2247791842	PECAAJMEBKTFRB-AEJSXWLSSA-N	240.112	-0.502	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1C(=O)C1(B(O)O)CCC1	2247878409	OEWXMNYCKVOZTP-DTWKUNHWSA-N	241.096	-0.245	50	10	BBGE	
C[C@H]1C[C@H](C)N(C(=O)c2occc2B(O)O)C1	2247878773	NANQSWZROALXRC-YUMQZZPRSA-N	237.064	-0.170	50	10	BBGE	
CC1(C)C[C@@]1(C)NC(=O)c1occc1B(O)O	2247879654	WTIDZUUARNSEBH-LLVKDONJSA-N	237.064	-0.122	50	10	BBGE	
CCCC1(NC(=O)c2n[nH]cc2B(O)O)CC1	2247885994	VROPWSUQBNOKTP-UHFFFAOYSA-N	237.068	-0.848	50	10	BBGE	
CN(C[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[C@@H]1B(O)O	2247887728	RDZXKQSWOCQAMS-WLRJLXCNSA-N	239.080	-0.800	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@H](O)C1)[C@@H]1C[C@@H]1B(O)O	2247897934	YNRYQJMPZPINGM-RGOKHQFPSA-N	241.096	-0.483	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H]1CCOC1(C)C	2247898546	FLSSMNJJMASANO-HRDYMLBCSA-N	241.096	-0.125	50	10	BBGE	
C[C@H](F)[C@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248587506	QFHJGHFVJJWJQO-YTLHQDLWSA-N	247.031	-0.833	50	10	BBGE	
CCN(C(=O)[C@@H]1C[C@@H]1B(O)O)[C@@H](C)CC(=O)O	2248589596	RULFDNGDJVGHSU-RNJXMRFFSA-N	243.068	-0.439	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)[C@]2(C)O	2249578924	XEAZXBAVXUNRBY-KUNJHIDRSA-N	241.335	-0.296	50	10	BBGE	
CCc1ccn(-c2nc(OC)ccc2B(O)O)n1	2254708081	CPILUXCAQPWECG-UHFFFAOYSA-N	247.063	-0.482	50	10	BBGE	
Cc1ccc(CCNC(=O)[C@H]2C[C@@H]2B(O)O)nc1	2255564938	RTDNTCLZAXHGQV-QWRGUYRKSA-N	248.091	-0.088	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2255737229	BJUOJKOJCFQXRM-VEVYYDQMSA-N	247.059	-0.560	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC(n2ccnc2)C1	2255788773	VPLCIWAGJVBGOS-UHFFFAOYSA-N	249.079	-0.481	50	10	BBGE	
C[C@H]1C[C@@H]2CN(c3ncc(B(O)O)cn3)C[C@H]12	2297849865	DDJWVAHCBOJNTN-QXFUBDJGSA-N	233.080	-0.751	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H](O)CCC12CC2	2298368521	JVKJLERTJVLKDF-XHNCKOQMSA-N	239.080	-0.635	50	10	BBGE	
O=C(N[C@H]1CCN2CCC[C@@H]12)[C@H]1C[C@H]1B(O)O	2298376516	ZTKAGZQJUILLMP-JXUBOQSCSA-N	238.096	-0.798	50	10	BBGE	
CC#CCNCC(=O)N1CCC(O)(C#N)CC1	2300599275	XWODBRCNEGNALX-UHFFFAOYSA-N	235.287	-0.524	50	10	BBGE	
CC[C@](C)(CN1C[C@@H](O)C[C@@H](F)C1)C(=O)NN	2303419881	KREOMHRGLQBMCJ-WCABBAIRSA-N	247.314	-0.203	50	10	BBGE	
CCN(C[C@@H](C)O)c1cc(B(O)O)c(F)cn1	2303847619	LQADIMXYHMUMLP-SSDOTTSWSA-N	242.059	-0.892	50	10	BBGE	
O=C(O)[C@@H](O)[C@@H](Br)C(=O)O	1726900	NBLBTAVCTSCGBU-NCGGTJAESA-N	212.983	-0.720	50	10	BBGE	
O=C(NCCO)[C@@H]1SSC[C@@H]1O	13384088	LHFFRRDCDOTHHS-CRCLSJGQSA-N	209.292	-0.781	50	10	BBGE	
NNC(=O)C(=O)N1CCCc2ccccc2C1	62946317	HFYZVJDNFSYVTM-UHFFFAOYSA-N	233.271	-0.049	50	10	BBGE	
CC(C)n1c(N)nnc1S[C@H](C)C(=O)NN	82472625	ABZXOSLHMHGPBV-RXMQYKEDSA-N	244.324	-0.088	50	10	BBGE	
C[C@H](CN1CCC[C@H](N(C)C)C1)C(=O)NN	84421009	IVXHGCNDDBAPRD-ZJUUUORDSA-N	228.340	-0.362	50	10	BBGE	
C[C@H](CN(C)CC1CC(O)C1)C(=O)NN	84453494	TXNLATIOMNQSHY-AFPNSQJFSA-N	215.297	-0.685	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](O)[C@H](C)C1	127609773	HCXXVULHZCTZMX-BBBLOLIVSA-N	229.324	-0.152	50	10	BBGE	
N#C[C@H](Cl)CN1CCS(=O)(=O)CC1	132468711	BERDRFSUOYEIME-ZETCQYMHSA-N	222.697	-0.152	50	10	BBGE	
OB(O)c1ccc(-c2ncon2)cc1F	170013730	SLZSYFPLNGQOJB-UHFFFAOYSA-N	207.957	-0.445	50	10	BBGE	
CSCC(=O)NNC(=O)NC[C@H](C)C#N	182789477	KOTOWFMLQWXQPR-ZCFIWIBFSA-N	230.293	-0.161	50	10	BBGE	
Cn1c(B(O)O)cc2ccc(Cl)nc21	200781436	XIWHDFPFBIOJDI-UHFFFAOYSA-N	210.429	-0.094	50	10	BBGE	
C[C@@H](O)CN/C=C(/C#N)C(=O)N1CCOCC1	217098700	DYIOXGXRMSOONT-URLRMUCDSA-N	239.275	-0.777	50	10	BBGE	
NNC(=O)CCN1CC[C@]2(O)CCCC[C@@H]2C1	220370339	OQNMDSLRYXZOAF-ZYHUDNBSSA-N	241.335	-0.007	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@@H](CCO)C1	229247442	DDGMDSZJYRHKQF-UWVGGRQHSA-N	229.324	-0.295	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCCO1)C(=O)NN	232417516	OOKOWEIWKXUHKN-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
CN(C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)C(=O)NN	250352358	AUGDGKLCCMBSFJ-XHNCKOQMSA-N	225.292	-0.129	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCCC[C@H]1CO	250686017	FMJSRSJZHWYBCP-UWVGGRQHSA-N	229.324	-0.152	50	10	BBGE	
CN1CCC[C@@H](C[C@H](N)C(=O)NN)C1	258998769	MMSNNZLMJZTVIT-YUMQZZPRSA-N	200.286	-0.965	50	10	BBGE	
CN1CCC[C@H]([C@H](N)CC(=O)NN)C1	259113833	RHJSMJJKHBVPSP-JGVFFNPUSA-N	200.286	-0.965	50	10	BBGE	
COC(=O)[C@@H]1ON[C@H](C)[C@@H](O)[C@H]1Cl	306172658	AGDBPIAWOSUAEW-KVTDHHQDSA-N	209.629	-0.580	50	10	BBGE	
CC(=O)Cc1c(S)cccc1B(O)O	307014298	MUVBSGJDMMAYKM-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
N[C@@H]1[C@H](Cl)C(=O)N[C@@H](F)[C@@H]1Cl	307213531	XYRQWFMYIQVOTP-CMPLKCRRSA-N	201.028	-0.046	50	10	BBGE	
CC1(COc2cc(B(O)O)ccc2C#N)COC1	384585134	UFWXCMKHHPZFIN-UHFFFAOYSA-N	247.059	-0.347	50	10	BBGE	
NNC(=O)c1coc(CN(CCO)C2CC2)n1	386932471	GBDSEDLQTBEJLU-UHFFFAOYSA-N	240.263	-0.765	50	10	BBGE	
NC[C@@H]1C[C@@H](CCCB(O)O)[C@](N)(C(=O)O)C1	393852610	NNSZEIYJQFZSNN-MRTMQBJTSA-N	244.100	-0.994	50	10	BBGE	
Nc1csc2c(C=O)c(B(O)O)ccc12	396249841	GDBPXLWIKYPISM-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](C)C[C@@H](O)C1	401689829	FGEXPHCKZROLQS-OPRDCNLKSA-N	229.324	-0.152	50	10	BBGE	
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(B(O)O)cc1	404964170	GHQQSHUHSBYLHT-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
O=C1N[C@@H](C(=O)NNc2ncccc2F)CO1	495759358	ARMPCONWGXBJCY-ZCFIWIBFSA-N	240.194	-0.228	50	10	BBGE	
Br[C@@H]1CN[C@@H]2[C@H]3CCN[C@H]3NCN21	605699484	NXIYUODFZNXMKV-XAMCCFCMSA-N	247.140	-0.565	50	10	BBGE	
COCCC(=O)Nc1cccc(B(O)O)c1F	690147934	SZRMCPDXRXUMEX-UHFFFAOYSA-N	241.027	-0.520	50	10	BBGE	
CO[C@@H]1CCC[C@H](n2cc(B(O)O)cn2)C1	694486968	IWTLRRRFUWLHKV-VHSXEESVSA-N	224.069	-0.307	50	10	BBGE	
Cc1cccc(CCn2cc(B(O)O)cn2)n1	694515005	OKWFIBYCRYXIJU-UHFFFAOYSA-N	231.064	-0.491	50	10	BBGE	
CN1C[C@H]2CN(CCC(=O)NN)C[C@]2(C)C1	702397481	QNQHUFCZGRHDSB-ONGXEEELSA-N	226.324	-0.750	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC2(CCCO2)C1	702938662	KYDUWDPVGODKPX-VIFPVBQESA-N	227.308	-0.134	50	10	BBGE	
C[C@@H]1CN(C[C@@H](C)C(=O)NN)C[C@@]1(C)CO	703786803	VFMARSXNCJAMSM-KKZNHRDASA-N	229.324	-0.437	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(n2cccn2)C1	707400808	WSLLQLRUGLQBPH-DTWKUNHWSA-N	237.307	-0.246	50	10	BBGE	
CN(CCn1cnnc1)CC(C)(C)C(=O)NN	707426565	VRUFJSIAFOFUQG-UHFFFAOYSA-N	240.311	-0.774	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2C[C@H](F)[C@H](F)C2)O1	714558884	RSKAROLLYHGDPU-MAUMQABQSA-N	249.261	-0.484	50	10	BBGE	
CC#CC[C@H](CO)NS(=O)(=O)CCCl	717769542	HYGKLNCFIXYQDZ-MRVPVSSYSA-N	239.724	-0.081	50	10	BBGE	
C#C[C@@H](CO)NS(=O)(=O)CCCCl	718218352	OOJXWPAKIYZHDY-ZETCQYMHSA-N	225.697	-0.471	50	10	BBGE	
C[C@@H](O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	846386661	OPCHRAFLGAJSTA-OOJXKGFFSA-N	228.248	-0.918	50	10	BBGE	
CO[C@@H]1C[C@H]1C(=O)NN=c1cc[nH]cc1	935293204	URHNQBGPCZHAAJ-RKDXNWHRSA-N	207.233	-0.019	50	10	BBGE	
Cc1nc2ccnn2cc1C(=O)NN(C)C(N)=O	1137623657	KTEKKIYXWLTUMA-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
Cc1cc(=NNC(=O)Cc2nc[nH]n2)cc[nH]1	1167541114	IVDUFJDTZGGRNR-UHFFFAOYSA-N	232.247	-0.384	50	10	BBGE	
COCCN(C)NC(=O)[C@@H](C)CC(N)=O	1467956890	PIFQECCDKXTJJW-ZETCQYMHSA-N	217.269	-0.893	50	10	BBGE	
CCC[C@H](O)C(=O)NNc1cc(C)nc(N)n1	1471348435	AVNIESRNFHSRAD-ZETCQYMHSA-N	239.279	-0.029	50	10	BBGE	
CN(C)C[C@@H](O)CNC(=O)C(Cl)Cl	1865988124	AOZYWRYEEZGBMK-YFKPBYRVSA-N	229.107	-0.171	50	10	BBGE	
O=C(N[C@@H]1COC[C@@H]1O)[C@H]1C[C@H]1Cl	1883645235	NAUZNQOKFLYNGP-WNJXEPBRSA-N	205.641	-0.510	50	10	BBGE	
CC(C)[C@@H]1[C@@H](O)CCN1CC(=O)NN	1885841522	HBPOVKDUUXWRFK-IONNQARKSA-N	201.270	-0.933	50	10	BBGE	
COC[C@H](OC[C@H](C)OC)C(=O)NN	1886078335	CTAWIYHTNLENQI-BQBZGAKWSA-N	206.242	-0.957	50	10	BBGE	
NC(=O)CN1CCC(NC(=O)F)CC1	1887173032	HENBPOZRUVPBNL-UHFFFAOYSA-N	203.217	-0.385	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CS[C@@H]1CC[C@H]1N	1887485310	HEIQWBXLWKBXGH-WCTZXXKLSA-N	215.322	-0.165	50	10	BBGE	
C[C@H](CC(=O)NN)OC[C@H]1CCCO1	1888053877	BCPRMXQFDJLVMW-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCN[C@H]2C[C@H]21	1893409817	AWSVUJPAAFAGOZ-NKWVEPMBSA-N	214.652	-0.119	50	10	BBGE	
O=C(N[C@H]1CCNC[C@@H]1O)[C@@H]1C[C@H]1Cl	1893470634	VHNJHKXOYCNJGR-NGJRWZKOSA-N	218.684	-0.547	50	10	BBGE	
C[C@H]1C[C@H](B(O)O)C[C@@H](C)S1(=O)=O	1893705543	ZMIAYNGMJNYIEM-KVSKUHBBSA-N	206.072	-0.185	50	10	BBGE	
CN(Cc1nnn(C)n1)C[C@@H](O)CCl	1894762580	WRBUIIIXEYGUMP-LURJTMIESA-N	219.676	-0.758	50	10	BBGE	
NC(=O)[C@@H]1[C@H]2CN(C(=O)OCCl)C[C@H]21	1900557824	HUTKGDKXMDDCCD-FMCRUOTFSA-N	218.640	-0.018	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@]1(C)O	1909659438	LLUGQDLBQOCFQS-FYLLDIAZSA-N	241.335	-0.295	50	10	BBGE	
CN(Cc1ccoc1C(=O)NN)S(C)(=O)=O	1913517405	FRVGFXMUSYZYEQ-UHFFFAOYSA-N	247.276	-0.726	50	10	BBGE	
N#CC1=CCN(C(=O)COC2CNC2)CC1	1917096811	MFQAKGJFEIQQBG-UHFFFAOYSA-N	221.260	-0.343	50	10	BBGE	
CC(=O)N(C)CC(=O)NNC(=O)C(F)(F)F	1923394114	ZTNLPPUWQBODPQ-UHFFFAOYSA-N	241.169	-0.826	50	10	BBGE	
O=C(NNC(=O)C12CC(CO1)C2)C(F)(F)F	1923407681	CDVCXFYHEPOQEF-UHFFFAOYSA-N	238.165	-0.125	50	10	BBGE	
C[C@@H]1CCN(C(=O)CCl)[C@H]1C(N)=O	1928672819	VKFNLGDZNROOMR-IYSWYEEDSA-N	204.657	-0.053	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2CCC(=O)NN	1928999424	MJSDNTXTOGCBOO-XVKPBYJWSA-N	211.265	-0.233	50	10	BBGE	
CN(CCC(=O)NN)CC(C)(C)CO	1931080657	MMHXCSONSABHNL-UHFFFAOYSA-N	203.286	-0.683	50	10	BBGE	
CN1C[C@@H](O)[C@H](N2C[C@](C)(CCl)C2=O)C1	1931726047	ONZZPLNYJMWTDI-MRTMQBJTSA-N	232.711	-0.251	50	10	BBGE	
C[C@H]1CN(CC(F)(F)C(=O)NN)C[C@@H]1F	1932374605	XOVJDIQTVUEDIV-WDSKDSINSA-N	225.214	-0.099	50	10	BBGE	
C[C@@H](CS(N)(=O)=O)NC(=O)CCCCl	1932513719	NPJGBKQRNRJMMK-LURJTMIESA-N	242.728	-0.201	50	10	BBGE	
Cc1cccc(=O)n1C[C@@H]1C[C@H]1C(=O)NN	1936080036	ICGFDJSHYQTGFL-DTWKUNHWSA-N	221.260	-0.217	50	10	BBGE	
CCN(CCOCC(=O)NN)C[C@@H](C)C#N	1936528067	XVVYGTAOOLDLNO-VIFPVBQESA-N	228.296	-0.526	50	10	BBGE	
COC(=O)[C@@H](Cl)CNC(=O)Cn1ccnn1	1937149181	NWSLPDNSXXWOTK-LURJTMIESA-N	246.654	-0.825	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[C@H]1O	1938247373	RZYVRLUPQJUGLY-DTWKUNHWSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1CC[C@@]2(CCO2)C1	1938675050	MDMGMPWPUHMFGT-MRVPVSSYSA-N	235.234	-0.524	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H](C)N1C	1941082958	KWSCEKHFSXDXBF-XWLWVQCSSA-N	240.351	-0.363	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(=O)C[C@@H]1C(C)C	1941990179	VUXJKCXQSSDKEA-SNVBAGLBSA-N	241.291	-0.547	50	10	BBGE	
CC(C)(CN1C[C@@H](O)[C@@H](C2CC2)C1)C(=O)NN	1943089324	LRFXNUKROLXWLZ-NXEZZACHSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H](O)C3(CC3)C2)CC1	1945888780	HCLHUEIEAWSQQC-VIFPVBQESA-N	239.319	-0.397	50	10	BBGE	
O=C1CN(C[C@H](O)CCl)[C@@H]2CC[C@@H]2N1	1956629971	STYUSLBHLSNPJC-GJMOJQLCSA-N	218.684	-0.451	50	10	BBGE	
O=C(NCCCl)C1[C@@H]2CS(=O)(=O)C[C@@H]12	1957253896	QEYFHGPTFQLCAK-PHDIDXHHSA-N	237.708	-0.368	50	10	BBGE	
CN(C(=O)C(=O)NN)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	1957686459	ORFCKBWDLLOUAL-HDHNGLDHSA-N	209.249	-0.911	50	10	BBGE	
NNC(=O)CN1CC[C@@H]2OCCC[C@H]2C1	1961287918	CKFYPTALFLPQGH-IUCAKERBSA-N	213.281	-0.523	50	10	BBGE	
Cc1cc(B(O)O)cnc1O[C@@H]1C[C@H]1C	1961694174	KSWSDDLEJIPVAI-HZGVNTEJSA-N	207.038	-0.143	50	10	BBGE	
COCCCSc1ncc(B(O)O)cn1	1961710581	RXGRUHXIHHBEMS-UHFFFAOYSA-N	228.082	-0.715	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nc(C)n1	1963021971	ABPOBSMEAMAQBF-SECBINFHSA-N	249.079	-0.218	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cncnc1	1975162781	MWZDTLNBIPZGLZ-ZETCQYMHSA-N	209.253	-0.713	50	10	BBGE	
CCC[C@H](C)C(=O)N[C@H](CB(O)O)C(=O)O	1976978758	CUJSXTRWNFKZQB-NKWVEPMBSA-N	231.057	-0.535	50	10	BBGE	
CN(C)NC(=O)N1C[C@H]2CC[C@H]1[C@@H]2C(=O)O	1978309194	XMPGWVIEVVIPLI-GJMOJQLCSA-N	227.264	-0.032	50	10	BBGE	
Cn1nnc(CNCC[C@H]2COC[C@@H]2Cl)n1	1979870173	MPUROYXMCRDLFY-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
CN1CCN(CC2(C(=O)NN)CC2)[C@@H]2C[C@H]21	1980228023	KLRMXXSMUVYIHA-RKDXNWHRSA-N	224.308	-0.855	50	10	BBGE	
CN1CCN(CCN[C@H]2COC[C@H]2Cl)CC1	1980708033	GXPRNXUUSCAKEI-MNOVXSKESA-N	247.770	-0.170	50	10	BBGE	
OB(O)c1cnc(SC[C@H]2CCCO2)nc1	1981454982	SAGRXXRNMAJAOQ-MRVPVSSYSA-N	240.093	-0.573	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CC2)C[C@H]1CO	1981728417	DOKLGVHJLHEGFW-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
N#CC1(O)CCN(C(=O)C2(F)CNC2)CC1	1984083009	AFJZTZWFSDCDFD-UHFFFAOYSA-N	227.239	-0.825	50	10	BBGE	
C[C@@H](CN(C)Cc1cncnc1)C(=O)NN	1984240999	IRFSKVWJJGCDER-QMMMGPOBSA-N	223.280	-0.466	50	10	BBGE	
COCc1nccn1CCOCC(=O)NN	1985660498	TVMTYOAKZBNIRG-UHFFFAOYSA-N	228.252	-0.964	50	10	BBGE	
C[C@H]1[C@H](N(C)CC(=O)NN)C2CCN1CC2	1989762367	WDPNEIZOFOOIHT-KWQFWETISA-N	226.324	-0.609	50	10	BBGE	
NNC(=O)[C@H]1CCC[C@@H](CSC2CNC2)O1	1990164522	OPSGSKXBFDSAQP-IONNQARKSA-N	245.348	-0.381	50	10	BBGE	
CC[C@H](COC)N(C)CC(=O)NNC(C)=O	1990777007	SGZZBGYEXWZVKL-SECBINFHSA-N	231.296	-0.490	50	10	BBGE	
CN1CCN(C(=O)/C=C/C(=O)Cl)[C@H](CN)C1	1991714670	JXWOVISGXWLCMQ-UFUPEUMYSA-N	245.710	-0.591	50	10	BBGE	
CN(CC1C2(CC2)C12CC2)C(=O)C(=O)NN	1994249289	IUHRVOJETGVKBM-UHFFFAOYSA-N	223.276	-0.375	50	10	BBGE	
Cc1ncnc(OCP(C)(C)=O)c1B(O)O	1994803944	DSVFUVGSAFIHDA-UHFFFAOYSA-N	243.996	-0.576	50	10	BBGE	
NNC(=O)C1(CN2C(=O)[C@H]3C[C@H]2[C@@H]2C[C@@H]32)CC1	1997189205	SVNSUJMKKKPZFN-HXFLIBJXSA-N	235.287	-0.377	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CCN(C2CC2)C1	1997511377	AQWVRMVMBXSNGZ-MWLCHTKSSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCO[C@H](CN(C)C)C1	2003920823	AYEBFGLREODVCY-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
Cc1cnc(N2CC[C@H](CF)C2)c(B(O)O)c1	2005017443	FHEJOPBIJQIREC-SECBINFHSA-N	238.071	-0.134	50	10	BBGE	
OB(O)c1cnc(N2C[C@@H](F)C[C@@H](F)C2)nc1	2011410567	ALOUTNUYVPFNBL-OCAPTIKFSA-N	243.022	-0.957	50	10	BBGE	
OB(O)c1cc(F)cnc1N1C[C@H]2CC[C@H]1C2	2014926488	NZIWZOBVUCSBOH-CBAPKCEASA-N	236.055	-0.111	50	10	BBGE	
CN(C)CCOC[C@H]1CCC[C@H](C(=O)NN)O1	2018242342	GVXHOJLLVLKXGO-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1C[C@@H](Oc2ccncc2B(O)O)CCO1	2025212683	TXNTVBQLJZDHFO-IUCAKERBSA-N	237.064	-0.292	50	10	BBGE	
Cc1ncnc(N(C)C[C@H]2[C@@H](C)[C@H]2C)c1B(O)O	2052558310	UGVUJIOGBUDEBN-DIYOJNKTSA-N	249.123	-0.197	50	10	BBGE	
OB(O)c1ccn(CC2Cc3ccccc3C2)n1	2058149604	AFVSQYQZMHQATF-UHFFFAOYSA-N	242.087	-0.022	50	10	BBGE	
CCOc1cc(C)c(C#N)c(B(O)O)c1	2060203198	WWVSFCLRTMSOKO-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CN(C)c1cccc(C(=O)NCC#CB(O)O)c1	2077493266	XYIHBPLVAMADFW-UHFFFAOYSA-N	246.075	-0.502	50	10	BBGE	
OB(O)c1csc(CN2CC3(CCO3)C2)c1	2211079556	ORSQEVAVZZJCEV-UHFFFAOYSA-N	239.105	-0.597	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3C[C@H]3C2=O)CC1	2211798066	LAADRIBQIUQWJH-HTQZYQBOSA-N	223.276	-0.375	50	10	BBGE	
Cn1ccn(C[C@H]2CC[C@H]2C(=O)NN)c1=O	2211838564	IQTMNKFYTRWIKP-HTQZYQBOSA-N	224.264	-0.797	50	10	BBGE	
C[C@@H]1CN(C[C@H]2CC[C@H]2C(=O)NN)C(=O)N1C	2215776210	LLSMJPYRWQAYDS-IWSPIJDZSA-N	240.307	-0.242	50	10	BBGE	
C[C@H]1COCC(=O)N1C[C@@H]1CC[C@@H]1C(=O)NN	2215777370	SHRATZAJGFXNOV-CIUDSAMLSA-N	241.291	-0.750	50	10	BBGE	
C#C[C@H]1CCCN1c1nccc(B(O)O)c1F	2217180662	JAMVYVMJNJNRDU-QMMMGPOBSA-N	234.039	-0.498	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@H]3CC[C@H]2C3)nc1	2217184249	NVLRHABWSSMBPL-NRPADANISA-N	233.080	-0.243	50	10	BBGE	
NC[C@H](COc1ccc(B(O)O)cn1)C1CC1	2217188836	UMMNEUJJUPVUOP-SECBINFHSA-N	236.080	-0.875	50	10	BBGE	
C[C@H]1[C@@H](N)CCCN1c1cc(B(O)O)ccn1	2217204866	PYCCYENMQNZJJW-WPRPVWTQSA-N	235.096	-0.923	50	10	BBGE	
CO[C@@]12CC[C@H]1CN(c1ccc(B(O)O)cn1)C2	2222844851	XAKIAXIQLFKUJA-JOYOIKCWSA-N	248.091	-0.623	50	10	BBGE	
OB(O)c1ccc(=NCCc2ccccn2)[nH]c1	2223639124	PROCMXQEGGTVCZ-UHFFFAOYSA-N	243.075	-0.767	50	10	BBGE	
OB(O)c1ccc(OC[C@@H]2CNCC23CC3)nc1	2223661759	QWUQUSMHCAGFQY-VIFPVBQESA-N	248.091	-0.860	50	10	BBGE	
O=C(C#CB(O)O)N(CC1CC1)CC1CC1	2243357431	WTCZJMNXWHQXEA-UHFFFAOYSA-N	221.065	-0.350	50	10	BBGE	
C[C@H]1COCCN(C(=O)C2(B(O)O)CC2)C1	2243365368	LPUCTQGRMJOOTB-MRVPVSSYSA-N	227.069	-0.512	50	10	BBGE	
Cc1c(B(O)O)csc1C(=O)N[C@H](C)CF	2243383435	XXNOXPYPBLXUQL-RXMQYKEDSA-N	245.084	-0.176	50	10	BBGE	
O=C(NOCC1(F)CCC1)[C@H]1C[C@@H]1B(O)O	2243383447	YDMCESSEJUUMRL-BQBZGAKWSA-N	231.032	-0.211	50	10	BBGE	
CC(C)C[C@H]1C[C@@H]1CNC(=O)C#CB(O)O	2243404813	UWYVQROWBZBIMN-VHSXEESVSA-N	223.081	-0.200	50	10	BBGE	
O=C(C#CB(O)O)NCC[C@@H]1C[C@@H]1C1CC1	2243404881	VZKLZOIZBUAPMJ-NXEZZACHSA-N	221.065	-0.446	50	10	BBGE	
C[C@@H](O)CCCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243415076	NUTRIJGSFHFDPW-HLTSFMKQSA-N	229.085	-0.483	50	10	BBGE	
O=C(N[C@@H]1COC2CC1C2)[C@@H]1C[C@@H]1B(O)O	2243420379	RIRRTTDJFWMCDJ-LLGBLBKNSA-N	225.053	-0.857	50	10	BBGE	
CN(Cc1ccc(B(O)O)s1)C(=O)C(F)F	2243665332	RPXMCIBHKNPCMD-UHFFFAOYSA-N	249.047	-0.349	50	10	BBGE	
C[C@@H](C(=O)N(C)C)N1CCC(B(O)O)CC1	2244170805	LMBFJHMYROZNHZ-QMMMGPOBSA-N	228.101	-0.598	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1cocc1B(O)O	2244220910	AXXAZGAFSIHZDQ-YLWLKBPMSA-N	227.000	-0.953	50	10	BBGE	
C[C@H]1[C@@H](C)[C@@H]1NC(=O)c1cc(B(O)O)co1	2244221104	KAFHRADBUNZBPO-KPCSLPGQSA-N	223.037	-0.656	50	10	BBGE	
O=C(NCCC#CB(O)O)NCC(F)(F)F	2244535222	TWCOPXHNJUTEAH-UHFFFAOYSA-N	237.974	-0.747	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCCOC(C)C	2246741085	HYTGIRKOORIHHE-UHFFFAOYSA-N	239.080	-0.126	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCc2cnsc2)c1	2246911311	DVTCLPMCUKKKKM-UHFFFAOYSA-N	249.104	-0.706	50	10	BBGE	
C[C@H](N)c1ccc(NC(=O)C#CB(O)O)cc1	2247744084	NGUSNCMDIVZMGU-QMMMGPOBSA-N	232.048	-0.340	50	10	BBGE	
CCCCCN(C)C(=O)c1cc(B(O)O)c[nH]1	2247747287	LERIKZATHCNRRH-UHFFFAOYSA-N	238.096	-0.043	50	10	BBGE	
O=C(N=c1cc[nH]cc1)c1ccsc1B(O)O	2247749573	WOCURTAUMCZCAK-UHFFFAOYSA-N	248.072	-0.503	50	10	BBGE	
C#CC(C)(C)CNC(=O)c1occc1B(O)O	2247756538	MUMYCPRASGSFMA-UHFFFAOYSA-N	235.048	-0.651	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)c1ccc(F)cc1B(O)O	2247759767	WIPWYQUAFINWLQ-IUCAKERBSA-N	241.002	-0.654	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)cn2C)C1	2247763917	OTYUHFKQIWOJSN-MRVPVSSYSA-N	236.080	-0.813	50	10	BBGE	
O=C(NC[C@@H]1[C@@H]2CCCO[C@@H]21)C1(B(O)O)CC1	2247764950	XVMPPUQBFVVXCI-YIZRAAEISA-N	239.080	-0.465	50	10	BBGE	
C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cn1	2247769269	GNRGXTBVUFPFOY-MRVPVSSYSA-N	234.064	-0.614	50	10	BBGE	
C=C=CCCNC(=O)c1ncccc1B(O)O	2247770619	GYENEFIHXJKDLZ-UHFFFAOYSA-N	232.048	-0.778	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cncc(B(O)O)c1	2247771254	UHCRFYCDWUTYLB-MRVPVSSYSA-N	234.064	-0.544	50	10	BBGE	
CCC(CC)(CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247796814	CYGAONXEPVNRLQ-DTWKUNHWSA-N	243.112	-0.236	50	10	BBGE	
O=C(NC[C@@H]1COC2CC1C2)[C@H]1C[C@H]1B(O)O	2247804155	FLVMFYYMUHRCHP-KZCAZGHVSA-N	239.080	-0.610	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1cc(B(O)O)c[nH]1	2247850818	UDPYVXRQYQMTKF-HTQZYQBOSA-N	236.080	-0.530	50	10	BBGE	
CC[C@H](C)CCNC(=O)c1c[nH]nc1B(O)O	2247855528	UFDBZVDVOCMEDF-ZETCQYMHSA-N	239.084	-0.745	50	10	BBGE	
CC(C)N(O)C(=O)c1cc(F)ccc1B(O)O	2247870730	OVGFIEKTWIPUFU-UHFFFAOYSA-N	241.027	-0.255	50	10	BBGE	
CCC1(NC(=O)C2(B(O)O)CC2)CCNCC1	2247873276	HZYYVVXGHNQEOT-UHFFFAOYSA-N	240.112	-0.358	50	10	BBGE	
Cn1cccc(NC(=O)[C@H]2C[C@H]2B(O)O)c1=O	2247888130	WIZVHARVXPVIFT-NKWVEPMBSA-N	236.036	-0.813	50	10	BBGE	
COC[C@]1(F)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247898538	FJMMEDAOVPZXDS-XKSSXDPKSA-N	245.059	-0.564	50	10	BBGE	
O=C(NC[C@@H]1CCCOCC1)[C@H]1C[C@@H]1B(O)O	2247899434	NHWPTOQBGBKWBH-UTLUCORTSA-N	241.096	-0.218	50	10	BBGE	
CC=CC(=O)N1Cc2cccc(B(O)O)c2C1	2248396710	CVOCWAYWFYBPSZ-UHFFFAOYSA-N	231.060	-0.215	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1ccc(B(O)O)cc1	2249300915	DGDJRCCLOWNWBR-QMMMGPOBSA-N	239.055	-0.204	50	10	BBGE	
C[C@H]1CC[C@@H]1CNC(=O)c1cocc1B(O)O	2249410194	MIQWYALGHGFYFO-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
CC1=C[C@@H](C)CN(C(=O)c2ccoc2B(O)O)C1	2255460254	RQSIEAPAOICTKB-MRVPVSSYSA-N	249.075	-0.002	50	10	BBGE	
Cc1ccc(C)n1NC(=O)c1cc(B(O)O)c[nH]1	2255463164	FRAREDRBVUEJOJ-UHFFFAOYSA-N	247.063	-0.503	50	10	BBGE	
C/C=C/CNC(=O)c1cc(B(O)O)ccc1OC	2255500080	GZJPCBRTQFAUCE-ONEGZZNKSA-N	249.075	-0.319	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)cn1C1CC1	2255506033	OBTLPEGUUFQJQL-OIBJUYFYSA-N	248.091	-0.359	50	10	BBGE	
CC1CC(N(C)C(=O)c2ncncc2B(O)O)C1	2255530855	ODUZJCARJJIHQB-UHFFFAOYSA-N	249.079	-0.973	50	10	BBGE	
Cc1cccc(NC(=O)c2cc(B(O)O)n[nH]2)c1	2255549763	ILPPCHXLAKAALC-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(NC1(C2CC2)CCC1)c1cc(B(O)O)n[nH]1	2255550488	XSGVLCNSPYIALO-UHFFFAOYSA-N	249.079	-0.848	50	10	BBGE	
O=C(Nn1cccc1)c1cc(F)ccc1B(O)O	2255725993	AXALKSDYMQOGKF-UHFFFAOYSA-N	248.022	-0.309	50	10	BBGE	
O=C(NC1CC(n2cccn2)C1)[C@@H]1C[C@H]1B(O)O	2255768552	IEEVWEXXRFUGMO-YDYPAMBWSA-N	249.079	-0.434	50	10	BBGE	
Cc1cc(C(=O)Nc2cn(C)cn2)oc1B(O)O	2255784001	BPZKQAYZAALBRX-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)co1	2258136130	JICXRADXWZBNKG-NEPJDUFXSA-N	249.075	-0.266	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](Nc1ccc(B(O)O)cn1)C2	2258393103	FFDSTUNMSZWVMX-NHCYSSNCSA-N	248.091	-0.259	50	10	BBGE	
C[C@@H](CN1C[C@@H]2CCO[C@]2(C#N)C1)C(=O)NN	2298175866	GRNGAJMJUJSEKG-ATZCPNFKSA-N	238.291	-0.773	50	10	BBGE	
C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298369724	CHMMVPGBZOIIII-SGIHWFKDSA-N	241.096	-0.531	50	10	BBGE	
O=C1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374781	MRKALPWWGDESSX-JQCXWYLXSA-N	237.064	-0.366	50	10	BBGE	
N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H]1C[C@@H]1B(O)O	2298377465	RTVNCXGCNUMPGM-RSMBCMNPSA-N	238.096	-0.909	50	10	BBGE	
CC[C@H](O)CN(C[C@@H](O)CC)[C@H](C)C(=O)NN	2299140084	NUVQEMRKLRYINR-UTLUCORTSA-N	247.339	-0.791	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CCCN1CCC[C@@H]1CO	2300362697	FMUPJTKIBWZSGR-MXWKQRLJSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1C(=O)CCC1=O	2300386324	ZYFBSAASZNQXNM-HTQZYQBOSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCC(O)CC1	2300395868	GDTJXLGEEMUBAM-MWLCHTKSSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](CCCC(=O)NN)N1CC[C@](F)(CO)C1	2302050780	UGNVFEGSXDEKPN-GXSJLCMTSA-N	247.314	-0.059	50	10	BBGE	
O=C(N1CC[C@H](B(O)O)C1)[C@@]12CCOC[C@H]1C2	2303104317	JTKZCFSNDCMNHR-WCABBAIRSA-N	239.080	-0.512	50	10	BBGE	
N#C[C@@H]1CCN(c2cc(B(O)O)c(F)cn2)C1	2303847022	BILZZWWRPSATKU-ZETCQYMHSA-N	235.027	-0.750	50	10	BBGE	
CC[C@@H](N)CCOc1cc(B(O)O)c(F)cn1	2303849060	GHFCEAZFBGVONU-SSDOTTSWSA-N	242.059	-0.593	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NC[C@H]1C[C@H]1CN	2317161516	CYIJYXFKIYZAEQ-WCBMZHEXSA-N	245.091	-0.755	50	10	BBGE	
CN(N)C(=O)c1ccc(C(=O)N(C)N)cc1	39233485	RCWOFHOSFLZGTP-UHFFFAOYSA-N	222.248	-0.422	50	10	BBGE	
COCCN(CCC#N)CCC(=O)NN	82468783	PWMBDYQPPVIMPT-UHFFFAOYSA-N	214.269	-0.772	50	10	BBGE	
CNC(=O)[C@@H](C)NC(=O)CBr	82510955	AXJJSUMAFUDKHA-SCSAIBSYSA-N	223.070	-0.368	50	10	BBGE	
CCc1nnsc1C(=O)NNC(N)=S	83590756	RYNJMIQSLXNOIG-UHFFFAOYSA-N	231.306	-0.422	50	10	BBGE	
CNC(=O)[C@H]1CCCN1[C@@H](C)CCC(=O)NN	104104979	RAXCQISRSIPTLC-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
C[C@H]1CN([C@H](C)CC(=O)NN)C[C@@H](C)O1	133334721	OTKFOSVHNAHDRJ-HLTSFMKQSA-N	215.297	-0.136	50	10	BBGE	
COCC(=O)NCCNC(=O)[C@H](C)Cl	169919315	KPUCTQKLSYOBBB-LURJTMIESA-N	222.672	-0.508	50	10	BBGE	
O=S(=O)(CCl)NCCc1ncno1	231843285	ZFAPDAKWAYUZDY-UHFFFAOYSA-N	225.657	-0.272	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCC#N)C(C)C	232420004	HNIGZZBYDJIYDY-SECBINFHSA-N	228.296	-0.385	50	10	BBGE	
C[C@@H](CC(=O)NN)Sc1nccnc1N	235063412	QLICGPUNLPEPIT-YFKPBYRVSA-N	227.293	-0.081	50	10	BBGE	
Cn1ncc(B(O)O)c1-c1cccs1	238544150	NSZTYDSOLNKSGH-UHFFFAOYSA-N	208.051	-0.172	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@H]1CCO	251544819	LDOIQTOYYMBICN-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
O=C(CCl)NCC(=O)NCc1ccc[nH]1	258701291	KNDXVIOJWDHHNG-UHFFFAOYSA-N	229.667	-0.014	50	10	BBGE	
C[C@H]1CN(CCCCC(=O)NN)C[C@H](CO)O1	299958194	GQBYVFMDWWISRQ-VHSXEESVSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](Br)C(=O)N[C@H]1COC[C@@H]1O	307588676	YDCJCNVFHHJUTF-ZLUOBGJFSA-N	238.081	-0.354	50	10	BBGE	
CCOC(=O)C/C(=N/NC(N)=O)C(=O)O	308686469	XATRCERKBMKGEL-WTKPLQERSA-N	217.181	-0.952	50	10	BBGE	
CC(=O)c1cc(C(F)(F)F)ncc1B(O)O	309219652	NKSUOSLXFUQIRI-UHFFFAOYSA-N	232.954	-0.017	50	10	BBGE	
CN(C)C1CN(Cc2cc(C(=O)NN)no2)C1	382323699	BWPVZKHADJNQID-UHFFFAOYSA-N	239.279	-0.976	50	10	BBGE	
CNCCS[C@@H](C(=O)NN)C(C)C	382639954	CHFHWWWVDKVZMJ-SSDOTTSWSA-N	205.327	-0.047	50	10	BBGE	
CC(=NNC(N)=O)[C@@](C)(N)CCC(=O)O	383979293	VLRQNKLHVAJIKG-QMMMGPOBSA-N	216.241	-0.387	50	10	BBGE	
CCC[C@H](N)C(=O)NNC(=O)[C@H]1C[C@H]1C	393743838	HOMMKIACDXIKLI-CSMHCCOUSA-N	213.281	-0.083	50	10	BBGE	
CC(CO)(CO)CNC(=O)CCCl	393896194	MEAFGJGCABHUBG-UHFFFAOYSA-N	209.673	-0.278	50	10	BBGE	
CC(CC(C(=O)O)C(=O)O)=NNC(N)=O	394741422	GSIGZYVBNYFICZ-UHFFFAOYSA-N	217.181	-0.794	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)cc1CO	396039309	JISLGEMKEKIOND-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
CCC(=O)c1ccc(B(O)O)c(C(=O)O)c1	396135694	XKDXOPPEHHWWNM-UHFFFAOYSA-N	222.005	-0.343	50	10	BBGE	
N#Cc1ccc(CO)c2scc(B(O)O)c12	396212894	CJVIQPCKDBEYBW-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Nc1ccc(B(O)O)c2sc(CO)cc12	396248557	QCQMWUJURJYPQN-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
Cc1nocc1CN1CC(=O)OC(=O)C1	397932449	FRGAQAVIHWGMNR-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
CC[C@@H]1CN(CC(=O)NN)[C@H](CC)CO1	403845205	UUBMEOVALJWWIO-RKDXNWHRSA-N	215.297	-0.134	50	10	BBGE	
C[C@H](CN1CCC[C@@H](CN(C)C)C1)C(=O)NN	405143859	WSADJMFWYPIHDR-MNOVXSKESA-N	242.367	-0.114	50	10	BBGE	
CO[C@H](CN(C)CC(=O)NN)C1CCC1	692199762	SFUNDRDBJZLLMB-SECBINFHSA-N	215.297	-0.277	50	10	BBGE	
CC1(C)[C@H](O)[C@H]2CCCN(CCC(=O)NN)[C@H]21	693088908	JHCPELUYWUPNQD-JMJZKYOTSA-N	241.335	-0.152	50	10	BBGE	
Cc1ccc(O)cc1C(=O)NCB(O)O	702028928	IZNPXFZGYPLHIU-UHFFFAOYSA-N	209.010	-0.558	50	10	BBGE	
COCC(COC)N(C)[C@@H](C(=O)NN)C(C)C	702034930	ACUDUFSMHHSYEO-SNVBAGLBSA-N	247.339	-0.406	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703805582	LVCOHCTWRYYBBN-KXUCPTDWSA-N	229.324	-0.296	50	10	BBGE	
CNNC(=O)CCNC(=O)c1ccco1	704632336	QWIJPWARZVGLEA-UHFFFAOYSA-N	211.221	-0.350	50	10	BBGE	
CN(N)C(=O)[C@H]1CCCN1C(=O)C1CC1	704706988	QYRAUWBNPGSGDS-MRVPVSSYSA-N	211.265	-0.281	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H](O)C[C@@H]1C	706206900	KASNZWKFNASLCT-AATLWQCWSA-N	229.324	-0.154	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CC[C@@H]2NCCN[C@H]2C1	706210789	AWOPWJFSWURQGV-UTLUCORTSA-N	226.324	-0.691	50	10	BBGE	
OB(O)c1ccc(CN2C[C@@H]3COC[C@H]3C2)cc1	718184680	PFWAUNKZIPTYHU-VXGBXAGGSA-N	247.103	-0.555	50	10	BBGE	
Cc1cn(C)nc1CN(C)[C@@H](C)C(=O)NN	723524176	NWXROCQTOIOZGM-QMMMGPOBSA-N	225.296	-0.461	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)Cc1ccccc1B(O)O	724140393	OKCWXLJDURHKPA-CHWSQXEVSA-N	249.119	-0.024	50	10	BBGE	
C[C@@H]1CCC[C@H](NC(=O)NCB(O)O)C1	725658830	DJYNEKHYFNOVGY-SFYZADRCSA-N	214.074	-0.124	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCC(=O)N1	855933355	HTIVLFPXJFBHQW-FLOXNTQESA-N	237.259	-0.175	50	10	BBGE	
CC(C)(C#N)C(=O)NNC(=O)c1cnsn1	1133402954	CDJFBPLVTXQKQS-UHFFFAOYSA-N	239.260	-0.151	50	10	BBGE	
O=C(COCC(F)F)N1CC[C@@H](B(O)O)C1	1329215957	SGHXXCBJEGCOPW-ZCFIWIBFSA-N	237.011	-0.657	50	10	BBGE	
CN(NC(=O)CC1(O)CCC1)C(N)=O	1466167889	ONRSPQQFQDEUNY-UHFFFAOYSA-N	201.226	-0.667	50	10	BBGE	
Nc1ncn(CC(=O)NNc2ccccn2)n1	1598368561	ABDFXSCRRGOUDC-UHFFFAOYSA-N	233.235	-0.601	50	10	BBGE	
O=C(CO)NNC(=O)NC1CCCC1	1626224212	QEAWEMLSPALVFJ-UHFFFAOYSA-N	201.226	-0.748	50	10	BBGE	
Cc1cc(CC(=O)NNC(=O)c2ccon2)n[nH]1	1631027245	ACNSHGGYNWAHBL-UHFFFAOYSA-N	249.230	-0.290	50	10	BBGE	
NC[C@H](O)CNC(=O)[C@H]1C[C@H]1Br	1881353754	MPHMASQJBVYSLS-HCWXCVPCSA-N	237.097	-0.794	50	10	BBGE	
CSSCCNC(=O)[C@@H](N)CCO	1883255445	IMLUCWHJBBXFMP-LURJTMIESA-N	224.351	-0.177	50	10	BBGE	
N[C@@H](CCO)C(=O)NC[C@@H]1C[C@@H]1Cl	1883551517	JWZOJHWLUHODLW-ACZMJKKPSA-N	206.673	-0.560	50	10	BBGE	
C[C@@H](O)[C@@H](N)C(=O)NC[C@H]1C[C@@H]1Cl	1883552816	OKUAWHASHHKOCX-MVIOUDGNSA-N	206.673	-0.562	50	10	BBGE	
O=C(NCC[C@H](O)CO)[C@@H]1C[C@@H]1Cl	1883637865	BKKSSTPYAFXWAH-XVMARJQXSA-N	207.657	-0.527	50	10	BBGE	
C=C(CN1CCOC[C@@H](F)C1)B(O)O	1887142394	LGENRUXCCPQYNU-QMMMGPOBSA-N	203.022	-0.775	50	10	BBGE	
CC[C@@H](N)CC(=O)NN(C)S(C)(=O)=O	1888598122	BKYOQPSARUSBSG-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
OB(O)c1cc(=NCc2ccccc2)[nH]cc1F	1892559012	ZUNSVANMKHEPHX-UHFFFAOYSA-N	246.050	-0.066	50	10	BBGE	
C[C@@H]1C[C@@]1(F)C(=O)N[C@@H]1CCC=C1B(O)O	1898058295	GMPWKJXHBICSSZ-YNEQXMIYSA-N	227.044	-0.049	50	10	BBGE	
CN(NC(=O)CC[C@H]1CCNC1)S(C)(=O)=O	1901339738	SIUOAOCJUHQNHF-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
Cc1cc(B(O)O)ccc1OC[C@@H]1CCO1	1901369027	WDYALTWLTVEADI-JTQLQIEISA-N	222.049	-0.157	50	10	BBGE	
C[C@H]1C[C@H](C(=O)NN(C)S(C)(=O)=O)CCN1	1901373077	GFXJNFFNFFPGQC-JGVFFNPUSA-N	249.336	-0.703	50	10	BBGE	
CC=CC[C@H](N)C(=O)NN(C)S(=O)(=O)CC	1901374371	DDMYNRIHYYPSGT-QMMMGPOBSA-N	249.336	-0.407	50	10	BBGE	
CC[C@@](C)(CN1C(=O)CCC1=O)C(=O)NN	1902721358	YUSQIESUIKPNJJ-JTQLQIEISA-N	227.264	-0.458	50	10	BBGE	
OB(O)c1cc(=NC[C@H]2C[C@@H]2Cl)[nH]cc1F	1903009109	DDVFUTSPZDBYFB-VDTYLAMSSA-N	244.462	-0.638	50	10	BBGE	
OB(O)c1cc(S[C@H]2CCOC2)ncc1F	1903010603	RMSSVTPVHZHGNK-LURJTMIESA-N	243.068	-0.219	50	10	BBGE	
CC[S@](=O)Nc1cc(F)c(F)cc1B(O)O	1904681613	REEISIIRPHSWMH-INIZCTEOSA-N	249.047	-0.260	50	10	BBGE	
CCC[C@H]1NC(=O)N(C[C@H](C)C(=O)NN)C1=O	1912214799	XKGKSBFUBQEPOX-NKWVEPMBSA-N	242.279	-0.667	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)c1ccon1	1913666853	BNPRFHAQUCXIAE-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC[C@@](F)(CO)C1	1917099755	BBFZDUHHALKJSD-ONGXEEELSA-N	247.314	-0.203	50	10	BBGE	
CC(=O)N[C@@H](CN1CC=C(C#N)CC1)C(=O)O	1917113129	UPJZQLWMKYKWFX-JTQLQIEISA-N	237.259	-0.269	50	10	BBGE	
NNC(=O)CN1CC[C@]2(CCC[C@H]2O)C1	1918418100	AHWXUDVCEVYYHX-PSASIEDQSA-N	213.281	-0.787	50	10	BBGE	
O=c1[nH]cc[nH]c1=N[C@@H]1COC[C@H]1CCl	1928744249	PFUCQFSZJIJDTM-RNFRBKRXSA-N	229.667	-0.143	50	10	BBGE	
Cn1[nH]nnc1=N[C@H]1COC[C@H]1CCl	1928745385	ZZTOJJZFOSNJHG-RITPCOANSA-N	217.660	-0.702	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NCc2cn(C)nn2)C1	1928754960	HDJYQZHAHGEPQJ-DTWKUNHWSA-N	229.715	-0.174	50	10	BBGE	
CN1C[C@@H](O)[C@H](NC(=O)CBr)C1	1928758893	WVNQSMZETBBLBH-PHDIDXHHSA-N	237.097	-0.828	50	10	BBGE	
O=C(Cc1ccc(O)cc1)NNCCO	1929836888	QVYAXRGMTBXDLP-UHFFFAOYSA-N	210.233	-0.452	50	10	BBGE	
C[C@H]1[C@@H](Cn2ccc(B(O)O)n2)C1(F)F	1931657408	AGEBFVJENZWHAX-NTSWFWBYSA-N	215.996	-0.536	50	10	BBGE	
CN(C)C[C@@H](CO)N1C[C@](C)(CCl)C1=O	1931734987	LRHUFZPWQMQDQW-WPRPVWTQSA-N	234.727	-0.004	50	10	BBGE	
C[C@@H]1C[C@@H](CO)CN1CC1(C(=O)NN)CC1	1939642038	RTLJCCVCWGURQP-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@H]2[C@@H](O)CC[C@H]2C1	1940895302	GMEAHKVVIKINAW-RNJXMRFFSA-N	249.261	-0.686	50	10	BBGE	
CCCCN(CC(N)=O)C[C@@H]1C[C@@H]1C(=O)NN	1941084887	AHDSMDQSFLJXDX-IUCAKERBSA-N	242.323	-0.800	50	10	BBGE	
COCCOCCN(C)C[C@H]1C[C@H]1C(=O)NN	1941090713	QGWNUAWADUUNRY-NXEZZACHSA-N	245.323	-0.793	50	10	BBGE	
NNC(=O)COCCOCCc1ccccn1	1941773089	SARJOGRJIGCLBU-UHFFFAOYSA-N	239.275	-0.353	50	10	BBGE	
C[C@@H](NC(=O)c1ccco1)C(=O)NNCCO	1944218316	LZQLNULYWNJBJE-SSDOTTSWSA-N	241.247	-0.989	50	10	BBGE	
C[C@@H]1CCOC[C@@H]1N(C)CCOCC(=O)NN	1947197464	AAZQWOQMBVNUCQ-ZJUUUORDSA-N	245.323	-0.650	50	10	BBGE	
Cn1nnnc1CN[C@@H]1C[C@@H]1CCl	1954307575	FSRZVTHVYXTGKA-PHDIDXHHSA-N	201.661	-0.073	50	10	BBGE	
C[C@H]1C(=O)NCCN1C[C@@H](O)CCl	1954824194	URNXJVKEUVMAFI-BQBZGAKWSA-N	206.673	-0.594	50	10	BBGE	
C[C@H]1CN([C@H](C)C(=O)NN)CC1(F)F	1955222856	NFVKXMKYHVLAFA-NTSWFWBYSA-N	207.224	-0.048	50	10	BBGE	
CNC(=O)[C@H]1CCN(C[C@@H](O)CCl)C1	1956251792	JOPXIBYZAOOOJR-YUMQZZPRSA-N	220.700	-0.346	50	10	BBGE	
C[C@@H](O[C@@H]1COC(C)(C)C1)C(=O)NN	1956934263	CQDFNMCVWSOCNZ-RQJHMYQMSA-N	202.254	-0.051	50	10	BBGE	
NNC(=O)CCCN1CC([C@@H](F)CO)C1	1957728941	AKFNXUZGLUHMFI-QMMMGPOBSA-N	219.260	-0.981	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)CC[C@H]1O	1960160139	UJDSDRDKWDANFZ-NXEZZACHSA-N	237.727	-0.083	50	10	BBGE	
C[C@H]1CCCN1c1ncc(B(O)O)cn1	1961682343	YNUHATCOJOLHSB-ZETCQYMHSA-N	207.042	-0.855	50	10	BBGE	
C[C@@H]1CCCN1c1ncncc1B(O)O	1961691626	PMQRZIGLFGANCQ-SSDOTTSWSA-N	207.042	-0.855	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1cccc(B(O)O)c1	1965497756	PVRLCXLBAZUHKX-GDNZZTSVSA-N	245.087	-0.248	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)C[C@H]1C(F)(F)F	1976082305	SLCOFVXNINAQQI-FBCQKBJTSA-N	239.197	-0.319	50	10	BBGE	
CSC[C@H](C)C(=O)N[C@@H](CB(O)O)C(=O)O	1976993402	AIJACVHRERACHZ-WDSKDSINSA-N	249.097	-0.972	50	10	BBGE	
C[C@@H]1CN(S(=O)(=O)N(C)C)[C@@H](N=C=O)CO1	1979162687	DOSFTLPKQQJNKC-HTQZYQBOSA-N	249.292	-0.825	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCO[C@@H](CF)C1	1981250997	ZYCLMRMSMYWANC-LURJTMIESA-N	241.213	-0.718	50	10	BBGE	
Cc1cc(N2C[C@H]3C[C@@H]3C2)ncc1B(O)O	1981411716	NHLANVCBHOLTGA-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
Cc1nc(OCC(F)(F)F)ncc1B(O)O	1981420365	KCMIQHBSODEQOF-UHFFFAOYSA-N	235.958	-0.594	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]1C1CC1	1981424262	QRHCAZWMNQAPTM-JTQLQIEISA-N	218.065	-0.250	50	10	BBGE	
CC[C@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1984101238	JUALZVCDNPVIBQ-IUCAKERBSA-N	221.065	-0.426	50	10	BBGE	
CCC(C)(C)Cn1cc(B(O)O)ccc1=O	1984102873	YDBDIKQIVJLYAK-UHFFFAOYSA-N	223.081	-0.036	50	10	BBGE	
CO[C@@H](C)COc1ncc(Cl)cc1B(O)O	1986049715	WABNBNYKKFEQSY-LURJTMIESA-N	245.471	-0.172	50	10	BBGE	
CCn1nc(CN(C)CC(=O)NN)cc1C	1986912860	FBEAFVUIEFKHFE-UHFFFAOYSA-N	225.296	-0.367	50	10	BBGE	
NNC(=O)CCN1CCC2(CC[C@@H]2O)CC1	1987464116	JRUYYTCQIZUFLU-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@]1(C)CCO	1994706011	AHIDOFFTCAAZTL-GXSJLCMTSA-N	229.324	-0.152	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@H]1CC12CCC2	1998136169	XYSRSAHDPHSXGE-RQJHMYQMSA-N	241.052	-0.781	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C[C@@H]2O)C1	1999849080	XIPUSTRWFFPRBG-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
C[C@H](C(=O)NN)N1CCO[C@]2(CCCOC2)C1	2002821556	AXWGRJUFOXOMLR-MWLCHTKSSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)C(=O)N1CCc2cc(F)ccc2C1	2004326548	JSJWQWASKGMELW-UHFFFAOYSA-N	237.234	-0.300	50	10	BBGE	
COc1nc(OCCC(C)C)ncc1B(O)O	2004925752	UYYLLUVKNPYMSF-UHFFFAOYSA-N	240.068	-0.410	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H]2C[C@@H](O)C[C@H]2C1	2012895060	FZBZEOHDPBQRJX-MFDAYCCISA-N	241.335	-0.296	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@@H]1COCC1(F)F	2014280209	FBTXQTASZDFRSJ-FSDSQADBSA-N	247.197	-0.063	50	10	BBGE	
CN(CC12CC(C)(CCO1)C2)C(=O)C(=O)NN	2018237986	LWSJOJNUXVJEHR-UHFFFAOYSA-N	241.291	-0.606	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H]2CC[C@@]2(CO)C1	2021657258	VGWVQRZTYPAUAT-SCVCMEIPSA-N	241.335	-0.151	50	10	BBGE	
O=C(Nc1csnn1)c1ccccc1B(O)O	2022196373	LHFPKQVPFWLJAX-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
Cc1cnn(C[C@]23C[C@](C(=O)NN)(CO2)C3)c1	2023846625	PANKGMUFJXDHAI-XYPYZODXSA-N	236.275	-0.269	50	10	BBGE	
Cc1ccc(Cn2nc(C)c(B(O)O)c2C)nn1	2029101514	FHRCWXMLUHFFTR-UHFFFAOYSA-N	246.079	-0.674	50	10	BBGE	
CCn1cnnc1COc1ccc(B(O)O)cc1	2036122007	QHAYPLPMBJVMOZ-UHFFFAOYSA-N	247.063	-0.443	50	10	BBGE	
Cc1nc(N2CC3CCC2CC3)ncc1B(O)O	2052555145	DAFJJAAIKCFGSV-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
N#Cc1c(Cl)cc(B(O)O)cc1C=O	2060092530	ADKQNAARZNOGES-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1cc(B(O)O)c(C=O)cc1Cl	2060132145	XGKRTWKSHYNVNO-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
C[C@]12CC[C@@]1(C)CN(c1ncncc1B(O)O)C2	2060855722	KCBZEFHQTWPNDO-TXEJJXNPSA-N	247.107	-0.217	50	10	BBGE	
O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CC[C@@H]21	2079010962	WXJCRDJVOFCHBK-SKDRFNHKSA-N	245.087	-0.009	50	10	BBGE	
CCOC1CC(C(=O)N2CC[C@@H](B(O)O)C2)C1	2208732869	ZXHXADSFHYDEHR-HWOCKDDLSA-N	241.096	-0.123	50	10	BBGE	
NNC(=O)COCCOCC1(F)CC1	2209681215	QJXQXIQXJFQSMA-UHFFFAOYSA-N	206.217	-0.488	50	10	BBGE	
C[C@@H]1C[C@]1(F)COc1ncc(B(O)O)cn1	2211060592	WYYBASFJZHTWGQ-MUWHJKNJSA-N	226.016	-0.717	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1CC(CCO)C1	2211839644	XIGOCSXEBZKHIL-ZJUUUORDSA-N	227.308	-0.683	50	10	BBGE	
CO[C@H]1C[C@H](OC)CN([C@@H](C)C(=O)NN)C1	2212125337	VLIDKIWLHFRWOP-CIUDSAMLSA-N	231.296	-0.900	50	10	BBGE	
CC[C@]1(C)C[C@@H]1Nc1ncc(B(O)O)cn1	2212604422	WEPGYTIYGMNQBG-WCBMZHEXSA-N	221.069	-0.243	50	10	BBGE	
COCCOCCOC[C@@H]1CC[C@@H]1C(=O)NN	2215775973	JXOAQQZQFPETQG-UWVGGRQHSA-N	246.307	-0.318	50	10	BBGE	
N[C@H]1CCC[C@@H](Oc2ccc(B(O)O)cn2)C1	2217178676	AFIZSSIFUFEICR-VHSXEESVSA-N	236.080	-0.590	50	10	BBGE	
N[C@H]1CCC[C@@H]1Oc1nccc(B(O)O)c1F	2217197064	WZPVVUMLIKDXDU-YUMQZZPRSA-N	240.043	-0.841	50	10	BBGE	
CC[C@H]1C[C@@H]1CCN=c1ncc(B(O)O)c[nH]1	2217199818	PEQCIQHBBZWMSN-IUCAKERBSA-N	235.096	-0.574	50	10	BBGE	
C[C@H](CC1CNC1)Nc1ncccc1B(O)O	2217199888	GWQHJFQZBLGNCP-MRVPVSSYSA-N	235.096	-0.829	50	10	BBGE	
Cc1cc(CNc2ncccc2B(O)O)no1	2217204573	LVWKAIMJDHNDIH-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
OB(O)c1ccnc(N[C@H]2CCN[C@@H]2C2CC2)c1	2223634216	HSRBOBMDJXBDLM-CMPLNLGQSA-N	247.107	-0.686	50	10	BBGE	
OC[C@@H]1CC2(CC2)CN1c1ncccc1B(O)O	2223667041	QADFZFKQCXSRND-VIFPVBQESA-N	248.091	-0.887	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2OCCC[C@@H]21	2223675284	QPTMLUYJECGMKJ-IEBDPFPHSA-N	248.091	-0.259	50	10	BBGE	
COC1(CO[C@H](C)C(=O)NN)CCC1	2241404931	GLIPEPNJTSVBIP-SSDOTTSWSA-N	202.254	-0.050	50	10	BBGE	
Cc1cc(C(=O)N(C)O)c(B(O)O)s1	2241480885	PEORHGUCXNJRCI-UHFFFAOYSA-N	215.039	-0.802	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(O)(CCO)C1	2241809188	UKBRXFXAKXAAFP-LURJTMIESA-N	207.657	-0.431	50	10	BBGE	
O=C(N[C@H]1CCCOC1)C1(B(O)O)CCC1	2243347177	ISRNBHSLDMLUKQ-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
O=C(Nn1cccc1)c1nscc1B(O)O	2243348262	WGQHPKQVBZDZBO-UHFFFAOYSA-N	237.049	-0.992	50	10	BBGE	
O=C(Nc1cnsc1)c1cc(B(O)O)c[nH]1	2243349520	MQXCPJZFTHZIKJ-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
Cc1cnc([C@@H](C)NC(=O)C#CB(O)O)s1	2243349806	QULWQVYSRKZTHG-SSDOTTSWSA-N	238.077	-0.356	50	10	BBGE	
Cc1cc(C)nc(NC(=O)C#CB(O)O)c1	2243400738	HHOADWKGKQNUGT-UHFFFAOYSA-N	218.021	-0.348	50	10	BBGE	
Cc1cc(C(=O)N(O)C(C)C)oc1B(O)O	2243412865	VJNUOLSGOIWDQN-UHFFFAOYSA-N	227.025	-0.492	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1sncc1B(O)O	2243415199	QDFWTLLSMBSGHY-LURJTMIESA-N	240.093	-0.649	50	10	BBGE	
CN(C[C@@H]1CCN1C)C(=O)[C@H]1C[C@@H]1B(O)O	2243427404	VARWFZQARRUJEP-CIUDSAMLSA-N	226.085	-0.988	50	10	BBGE	
CON(CC1CCC1)c1nc(B(O)O)cs1	2245121914	KPWVXZDPUNLTDJ-UHFFFAOYSA-N	242.109	-0.009	50	10	BBGE	
CC[C@H]1[C@@H](O)CCN1[C@@H](C(=O)NN)C(C)C	2245132370	QAJFFSWAQZOUMT-LPEHRKFASA-N	229.324	-0.154	50	10	BBGE	
C[C@@H]1CC[C@@H]1CNC(=O)c1ccc(B(O)O)o1	2247740518	LWRYOQDFHJRXGV-HTQZYQBOSA-N	237.064	-0.265	50	10	BBGE	
CC1(C)C[C@](C)(CO)CN1C(=O)C#CB(O)O	2247747328	LXOCOSVVHSVZSZ-NSHDSACASA-N	239.080	-0.989	50	10	BBGE	
O=C(NC1CCC1)c1ccc(F)cc1B(O)O	2247751898	DZESHNIDIGMQRM-UHFFFAOYSA-N	237.039	-0.212	50	10	BBGE	
C=CCCCN(C)C(=O)c1occc1B(O)O	2247756255	NAFZGKFMZBDEHM-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCCN(OC)C(=O)c1cc(B(O)O)cn1C	2247763694	NHJTWOWDFYTEHT-UHFFFAOYSA-N	240.068	-0.882	50	10	BBGE	
C#CCO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247799009	ZAEMUPGVWMFYET-AEJSXWLSSA-N	237.064	-0.900	50	10	BBGE	
O=C(N[C@H]1CC[C@@H](O)CC1)C1CC(B(O)O)C1	2247799542	FGMZWTQYMJJSJM-OXYCZDQYSA-N	241.096	-0.341	50	10	BBGE	
CC(C)[C@@H]1CC(=O)N(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247807739	RULIRTKRMBDHGT-VGMNWLOBSA-N	239.080	-0.120	50	10	BBGE	
C[C@@H]1OCCN(C(=O)C2CC(B(O)O)C2)[C@@H]1C	2247808565	VIGLYILPQTVQRK-XHHQTKHESA-N	241.096	-0.125	50	10	BBGE	
CCN(C)C1CN(C(=O)C2CC(B(O)O)C2)C1	2247810164	VIEBCRMNIHAIBD-UHFFFAOYSA-N	240.112	-0.598	50	10	BBGE	
Cc1cc(C(=O)N[C@@H](C)CC#N)oc1B(O)O	2247860262	UKZKFSCZNHAKCT-ZETCQYMHSA-N	236.036	-0.700	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)c1cn(C)cn1	2247877366	GYBBXWSAKDDVJF-ZETCQYMHSA-N	237.068	-0.396	50	10	BBGE	
O=C(N[C@@H]1[C@@H]2CCCN[C@H]21)C1CC(B(O)O)C1	2247892591	DEEZJBPDIMJGDX-HZUXAKDWSA-N	238.096	-0.894	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CC2CC1(CO)C2	2247893629	VTRKKSAQRURPMH-UHFFFAOYSA-N	239.080	-0.777	50	10	BBGE	
Cn1cccc1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247896057	DMOUMTRGPHKDEE-DTORHVGOSA-N	236.080	-0.106	50	10	BBGE	
CNCC[C@H](C)N(C)C(=O)C1CC(B(O)O)C1	2247905658	VNCCVHGCIMWGMW-IDKOKCKLSA-N	242.128	-0.304	50	10	BBGE	
COc1nc(O[C@H]2C=CCC2)ncc1B(O)O	2249281331	ZYILCWQBZLQTQE-ZETCQYMHSA-N	236.036	-0.738	50	10	BBGE	
C=CCN(C[C@]12C[C@](C(=O)NN)(CO1)C2)OC	2249504455	FZNRVVHCGVMJNT-XYPYZODXSA-N	241.291	-0.425	50	10	BBGE	
C=CCN(Cc1nn(C)cc1C(=O)NN)OC	2249515777	IDLNYGDDUJGKAG-UHFFFAOYSA-N	239.279	-0.427	50	10	BBGE	
C#CC1(NC(=O)c2csc(B(O)O)c2)CCC1	2250673395	BIXARODXCXDMTK-UHFFFAOYSA-N	249.100	-0.286	50	10	BBGE	
CCCC1(Oc2ccncc2B(O)O)COC1	2250815044	MTIJCGAGMJWFEM-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CN(CC[C@H]1CCO1)C(=O)C1CC(B(O)O)C1	2253141525	UKLMQUOFHJIKDW-RTBKNWGFSA-N	241.096	-0.123	50	10	BBGE	
C#CCN(CC=C)C(=O)c1cc(B(O)O)oc1C	2255448490	FCGWBTFZGHEPCT-UHFFFAOYSA-N	247.059	-0.471	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2ccncc2B(O)O)C1	2255452370	IAIVFUKFWGFYDN-VIFPVBQESA-N	248.091	-0.367	50	10	BBGE	
C#CC[C@H]1CCN(C(=O)c2occc2B(O)O)C1	2255489920	AIQIVQZXRKQABT-VIFPVBQESA-N	247.059	-0.555	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1cncc(B(O)O)c1	2255523821	UNNOFSOXRQSKJM-SCZZXKLOSA-N	248.091	-0.511	50	10	BBGE	
C#CC(C)(C)N(C)C(=O)c1cc(C)c(B(O)O)o1	2255579830	VSFVMBBQEXDYHI-UHFFFAOYSA-N	249.075	-0.248	50	10	BBGE	
CC#CCCNC(=O)c1ccc(F)cc1B(O)O	2255685330	YVMHSXIDIGQZQO-UHFFFAOYSA-N	249.050	-0.351	50	10	BBGE	
C#CC[C@H](C)NC(=O)Nc1ccc(B(O)O)cc1	2255912569	YCWSHQVAVHRHHF-VIFPVBQESA-N	246.075	-0.100	50	10	BBGE	
C=C1CON(C(=O)c2ncc(B(O)O)cc2C)C1	2257493698	UBDHCQHCCNCDAJ-UHFFFAOYSA-N	248.047	-0.987	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(F)c(B(O)O)c2)C1	2261382264	WLKZOVVHKQXCDF-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
O=S(=O)(CCl)N1C[C@@H]2C[C@@H](O)[C@H]1C2	2296813854	PDGYZCUGCZBQQV-RRKCRQDMSA-N	225.697	-0.032	50	10	BBGE	
C[C@@H]1C[C@@]1(CNC(=O)[C@@H]1C[C@@H]1B(O)O)C(=O)O	2298462919	KNTUKLDNZIEGEW-JQCUSGDOSA-N	241.052	-0.924	50	10	BBGE	
C[C@@]1(B(O)O)CCN(CC(=O)N2CCCC2)C1	2303099631	QCPJZUWFZAOIQG-LLVKDONJSA-N	240.112	-0.452	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCOC[C@@H](OC)C1	2306805460	TVANYFRLELXVRR-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21	2312849028	BJUOJKOJCFQXRM-OORONAJNSA-N	247.059	-0.560	50	10	BBGE	
CN(CC1COC1)c1ccc(B(O)O)cc1C#N	2317165378	KCRRSMQWRYDEMB-UHFFFAOYSA-N	246.075	-0.679	50	10	BBGE	
O=CNNC(=O)c1cccc([N+](=O)[O-])c1	1723306	WWYVVPPAZIGLTR-UHFFFAOYSA-N	209.161	-0.014	50	10	BBGE	
NNC(=O)C1CCN(C(=O)CS)CC1	82473264	LQMOEHFZUKQRLS-UHFFFAOYSA-N	217.294	-0.855	50	10	BBGE	
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)NN	83866836	QRFKABHDLGSTDV-RNFRBKRXSA-N	201.270	-0.083	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCCN(C)C	86313680	BWSJVMPOJIQJMN-VHSXEESVSA-N	230.356	-0.116	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)CCCN(C)C	86313683	BWSJVMPOJIQJMN-ZJUUUORDSA-N	230.356	-0.116	50	10	BBGE	
NNC(=O)c1occc1CN1CCC[C@@H]1CO	104122955	WFLSECCLQGETMJ-SECBINFHSA-N	239.275	-0.160	50	10	BBGE	
C[C@@H]1CO[C@@H](CO)CN1CCCCC(=O)NN	122379969	CHFAREYANCWGPI-NXEZZACHSA-N	245.323	-0.772	50	10	BBGE	
COc1cc(OC)c(B(O)O)c(OC)c1OC	196057060	DNWJZBXDVHUKEU-UHFFFAOYSA-N	242.036	-0.599	50	10	BBGE	
NNC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	196651506	MCMOEFKKRRGIKR-NTSWFWBYSA-N	200.242	-0.797	50	10	BBGE	
NC(=O)CC[C@@H](NCCCl)C(=O)O	214419948	HTNLAUSKAPDYOK-RXMQYKEDSA-N	208.645	-0.467	50	10	BBGE	
C[C@H]1CN(Cc2ccccc2B(O)O)CCN1C	216591059	MYIVAVWLRLXGEE-NSHDSACASA-N	248.135	-0.498	50	10	BBGE	
COc1ccc(B(O)O)cc1COC1COC1	218891549	GZWCNDXFUFFYCL-UHFFFAOYSA-N	238.048	-0.710	50	10	BBGE	
C[C@@](O)(c1cncc(B(O)O)c1)C(F)(F)F	221904292	QKVNOZRSLOILEW-SSDOTTSWSA-N	234.970	-0.469	50	10	BBGE	
CN1CCCN(C(=O)CCl)CC1=O	228909556	LXQMYWSGKCADGN-UHFFFAOYSA-N	204.657	-0.084	50	10	BBGE	
CC(=O)NNC(=O)[C@H](C)Br	235438687	LWRSXIUIFDFSMN-VKHMYHEASA-N	209.043	-0.063	50	10	BBGE	
NNC(=O)c1cccc(Cn2cccnc2=O)n1	236255266	FGWKOQLYQTWWNM-UHFFFAOYSA-N	245.242	-0.710	50	10	BBGE	
C[C@@H](O)C[C@H]1CCCN1CCCC(=O)NN	304474040	AXNNFHOXTYZMKH-NXEZZACHSA-N	229.324	-0.008	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CCC(=O)NN	307602191	TUSQBBKIQPUQEW-YUMQZZPRSA-N	201.270	-0.788	50	10	BBGE	
C[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	380500788	DOTKPYQQAZNBHW-SECBINFHSA-N	220.081	-0.002	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(N(C)C)C1	382341045	KMTLFFAFEUDDIV-VIFPVBQESA-N	214.313	-0.753	50	10	BBGE	
CCC1(O)CN(Cc2occc2C(=O)NN)C1	384141442	NLGPSKXUKVJCMZ-UHFFFAOYSA-N	239.275	-0.160	50	10	BBGE	
CN(C)C=N/C(C#N)=C(/C#N)N=CNN	384198083	ZOCWWSPYBHQSIF-LPHSUJBTSA-N	205.225	-0.673	50	10	BBGE	
C[C@@H](O)CN(C)Cc1nc(C(=O)NN)cs1	393286399	URKAYGIGEUYMGQ-ZCFIWIBFSA-N	244.320	-0.441	50	10	BBGE	
CCN1CC[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NN	394361217	DVHPJDHUZKIMBV-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
C[C@H]1[C@H](CO)CCN1CC(C)(C)C(=O)NN	395055410	BOEPZRCWNURZFS-IUCAKERBSA-N	229.324	-0.295	50	10	BBGE	
N#CCCc1cc([N+](=O)[O-])ccc1B(O)O	396045987	CYLVLQIUJFTADB-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
N#Cc1c(CCC=O)cccc1B(O)O	396086886	AJQKCNIBYULFFX-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#Cc1cccc(B(O)O)c1CCC=O	396103098	STZGSQCEJCPJHR-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
Nc1cc(B(O)O)c2c(CO)csc2c1	396240361	HCQNRNTVFFSPFG-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCCOC[C@@H]1C	398928139	NYGSNVQDJUPUAI-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC(C)(CO)CC1	401717399	HXOZGSXBERTYDP-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
C[S@@](=O)Nc1ccc(B(O)O)cc1F	405189466	RZFDWXXWVFNWDO-CQSZACIVSA-N	217.030	-0.789	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CCC[C@H]21	584948585	IGUWTRVNLFEALT-ZYHUDNBSSA-N	245.087	-0.009	50	10	BBGE	
C[C@H](CN)C(=O)N1CCC(O)(C#N)CC1	692114148	OHNFCAFGXSUOIP-MRVPVSSYSA-N	211.265	-0.542	50	10	BBGE	
N#CC1(O)CCN(C[C@@H](O)CCl)CC1	692115417	YGKNXRLIINNMBI-QMMMGPOBSA-N	218.684	-0.063	50	10	BBGE	
COc1cncc(CN(C)CC(=O)NN)c1	700115974	HQKFWTAQIDSSSU-UHFFFAOYSA-N	224.264	-0.488	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)Cc1cccnn1	700699696	DXGFFENTEGWUGL-IUCAKERBSA-N	237.307	-0.077	50	10	BBGE	
O=C(Cc1cccc([N+](=O)[O-])c1)NCB(O)O	701938922	OCMVQRCWYDYONR-UHFFFAOYSA-N	238.008	-0.735	50	10	BBGE	
CN(N)C(=O)c1ccc(-n2cncn2)nc1	704634552	BLSMZCPJGOCRBE-UHFFFAOYSA-N	218.220	-0.392	50	10	BBGE	
NC(=S)NNC(=O)CN1CCCCCC1=O	705981198	TXAOFWNDKIPXFW-UHFFFAOYSA-N	244.320	-0.747	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC(C(F)F)C1	706486691	HGWKLWFUXUHRDZ-ZCFIWIBFSA-N	207.224	-0.048	50	10	BBGE	
CN(CCn1cnnc1)C[C@H](O)CCl	707679995	QBYGBWXSLMJJPN-MRVPVSSYSA-N	218.688	-0.190	50	10	BBGE	
NNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O	708857823	LLNZUZJQOIWEHT-RQJHMYQMSA-N	233.293	-0.779	50	10	BBGE	
C[S@](=O)N1CCCc2c(B(O)O)cccc21	725703454	QFEODYWRGCJZIW-INIZCTEOSA-N	239.105	-0.588	50	10	BBGE	
Cn1ccnc1C=NNC(=O)CN1CCCC1=O	727254226	RNVOONMFZFIWPH-UHFFFAOYSA-N	249.274	-0.507	50	10	BBGE	
CC/C=C(\C)C(=O)NNC(=O)c1cnn[nH]1	729457881	ZPMFZECMZKNLPO-GQCTYLIASA-N	223.236	-0.078	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)/C=C\[C@@H]1CCCO1	819508261	MVCGPBVMFXHAEO-SLGIHZDVSA-N	242.275	-0.360	50	10	BBGE	
O=C(NNc1ncncc1F)[C@@H]1[C@H]2COC[C@H]21	854609795	UUOFVTCZFZWQPE-BDINMYNLSA-N	238.222	-0.049	50	10	BBGE	
Cc1nc(CC(=O)NN=c2cc[nH]cc2C)n[nH]1	862500558	SDUOEWJVAINGBT-UHFFFAOYSA-N	246.274	-0.076	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=C1CCCOC1	863189934	XKKARMCFHOLYJL-UHFFFAOYSA-N	234.277	-0.686	50	10	BBGE	
CC(C)(C)NC(=S)NNC(=O)CC(N)=O	899994829	AVQVWKWLSDJINB-UHFFFAOYSA-N	232.309	-0.844	50	10	BBGE	
CC(C)CCC(=O)NNC(=O)[C@H](O)C(C)(C)O	900534366	MTAIVXUFJZTAJO-VIFPVBQESA-N	246.307	-0.298	50	10	BBGE	
Cn1cc(/C=C(\C#N)C(=O)NCCC(N)=O)cn1	1565834411	SGKQKFQRKRKDLG-RUDMXATFSA-N	247.258	-0.681	50	10	BBGE	
O=C(NNC(=O)c1ccns1)c1ncon1	1598459599	NABIVNUFVYFOQW-UHFFFAOYSA-N	239.216	-0.399	50	10	BBGE	
CCN1CC[C@H]1C(=O)NN(C)[C@@H](C)CO	1640026570	VIEJRMFRIBFVFS-IUCAKERBSA-N	215.297	-0.576	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1cc(C)nc(N)n1	1643159833	UIOHWFRDRJITKY-MRVPVSSYSA-N	249.274	-0.151	50	10	BBGE	
NC(=O)[C@@H](N)C[C@H]1C[C@H]1Br	1880113043	RKOSKHLGUNOZPG-WDCZJNDASA-N	207.071	-0.028	50	10	BBGE	
NCc1n[nH]c(=NC[C@@H]2C[C@H]2Cl)o1	1883555603	YBHLLOJRPIGIFY-CRCLSJGQSA-N	202.645	-0.011	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@H](N)C1CS(=O)(=O)C1	1883675277	MSNNHAUGIAXATF-XINAWCOVSA-N	225.697	-0.445	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(CS(N)(=O)=O)C1	1891628903	ZNVCMHBWUWUDGA-YFKPBYRVSA-N	240.712	-0.639	50	10	BBGE	
C#CC[C@H](C(=O)NNC(N)=S)C1CC1	1892895805	QCPOUVDFMIRTJR-ZETCQYMHSA-N	211.290	-0.100	50	10	BBGE	
C[S@](=O)C1CN(C(=O)C=CC(=O)Cl)C1	1893410275	HKXNIOCTEOKATL-AWEZNQCLSA-N	235.692	-0.103	50	10	BBGE	
O=C(NCCC1(O)CNC1)[C@H]1C[C@H]1Cl	1893460925	KKDZCAWENDPTRE-NKWVEPMBSA-N	218.684	-0.546	50	10	BBGE	
C=C(CN(C)CCCOCC)B(O)O	1895192189	ZAEFWFKOJQYEMS-UHFFFAOYSA-N	201.075	-0.087	50	10	BBGE	
C=C(COC[C@@H]1OCC[C@H]1C)B(O)O	1895212005	LTPWPZQNIFXLFG-APPZFPTMSA-N	200.043	-0.004	50	10	BBGE	
C[C@@H]1C[C@]1(N)C(=O)N1CCC(O)(C#N)CC1	1895689315	UWHXSSGVOKQFFO-LDYMZIIASA-N	223.276	-0.399	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@@H]1C1CC1	1897035036	KBIAVEZHBIFOQS-HTQZYQBOSA-N	227.264	-0.998	50	10	BBGE	
C=CC1CN(C(=O)c2cnsc2B(O)O)C1	1900455810	XCQHXDIPCGXIGL-UHFFFAOYSA-N	238.077	-0.919	50	10	BBGE	
O=C(c1cnsc1B(O)O)N1CC=CCC1	1900467109	QFGVIFUYXADERM-UHFFFAOYSA-N	238.077	-0.775	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@H](N)C1CC1	1901341140	PULQREKOMWGAFF-MRVPVSSYSA-N	249.336	-0.574	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)[C@@H]1C=C[C@@H](N)C1	1901343614	FKQJWZDBFQFJGE-HTQZYQBOSA-N	247.320	-0.798	50	10	BBGE	
C[C@@H](CN1C(=O)[C@H]2CC[C@@H](C2)C1=O)C(=O)NN	1912256124	MLFZLWRTIMOMEI-FXQIFTODSA-N	239.275	-0.603	50	10	BBGE	
C[C@]1(O)CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1927914771	XXPRWDKBFOPJMY-MRTMQBJTSA-N	213.281	-0.931	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOCC[C@H]1C	1929658491	ALERKDUNOZLAHJ-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
C[C@@H](C(=O)NNCCO)[C@H]1CCCO1	1929835704	WTWDWUUSYGYGAM-HTQZYQBOSA-N	202.254	-0.585	50	10	BBGE	
CO[C@@H]1CCCN(CC(=O)NN)[C@H]1C	1934286546	ILDLZICPORODKN-JGVFFNPUSA-N	201.270	-0.524	50	10	BBGE	
C[C@H](CSc1nnc2nc[nH]n12)C(=O)NN	1935693872	PPMLFEAFBHAHKN-SCSAIBSYSA-N	241.280	-0.830	50	10	BBGE	
Cc1nccn(C[C@H]2C[C@@H]2C(=O)NN)c1=O	1936082423	FHWIUYJUEBAVSI-SFYZADRCSA-N	222.248	-0.822	50	10	BBGE	
CCCC1(O)CN(C[C@@H]2C[C@@H]2C(=O)NN)C1	1936094231	LLKNWDXSKLCNMC-IUCAKERBSA-N	227.308	-0.541	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2C[C@H]1CC[C@H]2O	1936239685	VLURAXAXEQVOKC-ZYUZMQFOSA-N	227.308	-0.400	50	10	BBGE	
CO[C@H]1CC[C@H]1N(C)CCOCC(=O)NN	1936527450	VFACUTIOYRSSKW-BDAKNGLRSA-N	231.296	-0.898	50	10	BBGE	
O=C(Cn1cncn1)N1CCO[C@H](CCl)C1	1937140345	CPRJBRITPSANFL-MRVPVSSYSA-N	244.682	-0.256	50	10	BBGE	
CO[C@@H](C(=O)NNCCO)[C@@H]1CCCOC1	1937613562	CTFUZWPGBKOQLS-RKDXNWHRSA-N	232.280	-0.959	50	10	BBGE	
C[C@@H](CC(=O)NN)N1[C@H]2CC[C@H]1[C@@H](CO)C2	1939967689	POCRWCJNHGKWGY-JXUBOQSCSA-N	227.308	-0.400	50	10	BBGE	
C[C@@]12CC[C@H]1CCN2CCOCC(=O)NN	1940009797	IPNMTUUWLUARAK-GXSJLCMTSA-N	227.308	-0.133	50	10	BBGE	
C[C@]1(CO)CCCCN1C[C@H]1C[C@H]1C(=O)NN	1941086080	GZNZBEINLOABLT-CKYFFXLPSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)CC[C@@H]1O	1941088295	PMEAVYSYHSTYCZ-GUBZILKMSA-N	241.335	-0.295	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCCOC1	1941783718	CUAFEOOYDQXFFM-JTQLQIEISA-N	245.323	-0.649	50	10	BBGE	
OB(O)c1ccccc1OCc1ccncn1	1941974939	LUGONUCNIQVUSV-UHFFFAOYSA-N	230.032	-0.265	50	10	BBGE	
N#C[C@@H](O)[C@H](N)c1ccc2nn[nH]c2c1	1952811121	AHYFKMZBHDAJIX-RKDXNWHRSA-N	203.205	-0.158	50	10	BBGE	
O=C=NC(=O)[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21	1954211038	CNJRRFSYVVTWLX-FPFOFBBKSA-N	201.203	-0.861	50	10	BBGE	
O=C(CCl)N[C@H]1CCc2nncn2C1	1955448688	GGCBYZMGFGTFKL-LURJTMIESA-N	214.656	-0.052	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1C[C@@H](O)C1	1958249652	KRBAPEURQZZTAA-ULAWRXDQSA-N	211.217	-0.574	50	10	BBGE	
CCOc1nc(C(=O)NNC(N)=S)co1	1961731256	UNICPABGHKEYRC-UHFFFAOYSA-N	230.249	-0.449	50	10	BBGE	
C=C1C[C@@H]1Cn1cc(B(O)O)ccc1=O	1975100282	BMNBSLDYTPNOHZ-MRVPVSSYSA-N	205.022	-0.896	50	10	BBGE	
CC[C@H](C)Cn1cccc(B(O)O)c1=O	1975100768	IVKKJBPIHBNNIF-QMMMGPOBSA-N	209.054	-0.426	50	10	BBGE	
CC[C@@H]1CCOCC[C@@H]1NC(=O)C(=O)NN	1978955216	GERYOJXXRZTABB-SFYZADRCSA-N	229.280	-0.702	50	10	BBGE	
OB(O)c1cccnc1N1CC2(CSC2)C1	1981424451	SYZBSQCHXUISDF-UHFFFAOYSA-N	236.105	-0.685	50	10	BBGE	
CN(CC(F)(F)F)c1ccncc1B(O)O	1981425256	DQMDIULBSAOKLJ-UHFFFAOYSA-N	233.986	-0.240	50	10	BBGE	
OB(O)c1csc(-n2cc(C3CC3)cn2)n1	1981454784	PEJMKEODRYMRRH-UHFFFAOYSA-N	235.077	-0.114	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1COCCN1CCCC1	1982848548	KOKCNCIBRYHYCB-NXEZZACHSA-N	227.308	-0.275	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC=C[C@H]1CO	1983182517	YTVIGYSQHLFGTR-UWVGGRQHSA-N	227.308	-0.376	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@H]1CC[C@@H](C(=O)NN)C1	1985745206	VFLDXNQUSPBSGO-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
COC[C@H]1CCN(C[C@@H](C)C(=O)NN)C1=O	1990100582	SRKKNCMEKHNATO-HTQZYQBOSA-N	229.280	-0.893	50	10	BBGE	
CC(=O)NNC(=O)CN1CCSCC1(C)C	1990773583	XNZCVSKFZAKQEB-UHFFFAOYSA-N	245.348	-0.019	50	10	BBGE	
CCn1cnc(C(=O)NCC=CB(O)O)c1	1991330250	KZNSIGCORUMKOC-UHFFFAOYSA-N	223.041	-0.799	50	10	BBGE	
CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)C=CC(=O)Cl	1991650549	NTCNJQMNWLQZPK-BRDIYROLSA-N	246.694	-0.071	50	10	BBGE	
CC1(C)CC[C@H](C(=O)NCC#CB(O)O)C1	1992154506	ZIXKZNLVDWLIQR-VIFPVBQESA-N	223.081	-0.056	50	10	BBGE	
CC1(C)C[C@H](O)CCN1CC1(C(=O)NN)CC1	2003754373	NNQRZCAZBMSPDW-SECBINFHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@H]1CCN(c2ncc(B(O)O)cn2)[C@@H]1C	2004916116	IBALTBFVINLSKZ-BDAKNGLRSA-N	235.096	-0.219	50	10	BBGE	
Cc1ncc(B(O)O)c(Sc2cccnn2)n1	2005005845	WVZDBTVUAIEMMP-UHFFFAOYSA-N	248.076	-0.594	50	10	BBGE	
CCCc1nccn1-c1ccc(B(O)O)cn1	2005008231	ULVTZAZAHQEMQQ-UHFFFAOYSA-N	231.064	-0.100	50	10	BBGE	
CN(CCO)C[C@]1(F)CC[C@@H](C(=O)NN)CC1	2008940642	NMKCQNNQCUMUEC-JGZJWPJOSA-N	247.314	-0.201	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cncnc1	2009050294	NROWELQSNGSCCV-JTQLQIEISA-N	237.307	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CCC23COC3)C1	2010836084	WCDAAJGGIMZKEP-NXEZZACHSA-N	239.319	-0.133	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@@H](CO)CC1(C)C	2012366426	SFQRAYAXRTWBOI-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCn2nncc2C1	2013644760	USSUDMYKSONPHY-SFYZADRCSA-N	238.295	-0.892	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)C(=O)C(=O)NN)[C@H]2C1	2016125353	GSDSYOMUNQTCCT-HXFLIBJXSA-N	241.291	-0.752	50	10	BBGE	
CC(C)(CN1CCO[C@H]2COC[C@H]21)C(=O)NN	2017524662	GXJXBIXYPBYVNM-BDAKNGLRSA-N	243.307	-0.898	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2019179147	NMYXAHMRVDWGDG-NFQPTNBHSA-N	237.303	-0.260	50	10	BBGE	
C=C(CN1CCO[C@@H]([C@@H]2CCOC2)C1)B(O)O	2021159164	OLAXXSIJASSEFL-GHMZBOCLSA-N	241.096	-0.708	50	10	BBGE	
Cc1cc(N2O[C@H]3C=C[C@H]2C3)ncc1B(O)O	2021853904	KTDIRLILYAZPAA-IUCAKERBSA-N	232.048	-0.481	50	10	BBGE	
C[C@H]1CN(C[C@]23C[C@](C(=O)NN)(CO2)C3)[C@@H]1C	2023852291	FKUMFHRIEFGPCN-QCMRWSPLSA-N	239.319	-0.134	50	10	BBGE	
CCC1(C(=O)Nc2ncc(B(O)O)cn2)CCC1	2040764756	HMJKADHUXCFQQX-UHFFFAOYSA-N	249.079	-0.325	50	10	BBGE	
OB(O)c1cncnc1N1C[C@H]2CCCC[C@H]2C1	2052467411	QJIRTJANXNVSOJ-AOOOYVTPSA-N	247.107	-0.217	50	10	BBGE	
CCN(Cc1ccoc1)c1ncncc1B(O)O	2052469626	SVWYOKIOSGQJMA-UHFFFAOYSA-N	247.063	-0.224	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3C[C@H]2CO3)n1	2052556592	KGBYPQNUBMSWMC-UWVGGRQHSA-N	248.091	-0.563	50	10	BBGE	
COc1cc(B(O)O)c(Cl)cc1C=O	2060131454	HSAGWICUOFWXDU-UHFFFAOYSA-N	214.413	-0.159	50	10	BBGE	
O=Cc1c(Cl)ccc(B(O)O)c1[N+](=O)[O-]	2060133007	RHWXFDRZQCQZRP-UHFFFAOYSA-N	229.384	-0.260	50	10	BBGE	
CCOc1ccc(C#N)c(OC)c1B(O)O	2060202999	SKKULEIHSNLAGQ-UHFFFAOYSA-N	221.021	-0.355	50	10	BBGE	
CCOc1cc(C#N)c([N+](=O)[O-])cc1B(O)O	2060206257	RXVHBMYBQISIAG-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
C#C[C@](C)(CC)NC(=O)c1ccccc1B(O)O	2079008679	AUKVUBHRQPWQJT-CYBMUJFWSA-N	245.087	-0.102	50	10	BBGE	
OB(O)c1cc[nH]c(=NCCCC(F)F)c1	2212602427	DIECBSWVKQYUAW-UHFFFAOYSA-N	230.023	-0.360	50	10	BBGE	
N#C[C@H]1CCN(c2cc(B(O)O)ccn2)C1	2212612009	GUHNLOUBFCZTFT-MRVPVSSYSA-N	217.037	-0.889	50	10	BBGE	
C=C[C@@H]1CCCN1c1cc(B(O)O)ccn1	2212612737	OBBIWJIUFVQTBP-SNVBAGLBSA-N	218.065	-0.084	50	10	BBGE	
C[C@@H]1CCNC[C@@H]1Nc1cc(B(O)O)ccn1	2217176176	SIEMEXIXUJVLJT-SCZZXKLOSA-N	235.096	-0.829	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)c1ncco1	2217176515	XFFYABMQKXNFFH-SSDOTTSWSA-N	233.036	-0.078	50	10	BBGE	
CO[C@H](C)CCN(C)c1cc(B(O)O)ccn1	2217177327	HWCAWGFXAJHXRV-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
Cc1cnc(N[C@@H]2CC[C@H]2CO)cc1B(O)O	2217184380	RZCFCJOUCUKXIY-WCBMZHEXSA-N	236.080	-0.747	50	10	BBGE	
C[C@@H]1CCN[C@H]1COc1ccc(B(O)O)cn1	2217185325	VMEKXQVWAWUMEH-SCZZXKLOSA-N	236.080	-0.862	50	10	BBGE	
CNC1(CCOc2ccc(B(O)O)cn2)CC1	2217185856	CBNINMBBADXKMO-UHFFFAOYSA-N	236.080	-0.718	50	10	BBGE	
N[C@H]1CC12CC(Oc1cc(B(O)O)ccn1)C2	2217191723	FHCRGOFZNHYQLY-YUCVTWSNSA-N	234.064	-0.980	50	10	BBGE	
C[C@@]1(O)CCCN(c2ccc(B(O)O)cn2)C1	2217196765	UNCZGLRXWDZLGS-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
OB(O)c1ccnc(N2CC3(CCCO3)C2)c1	2217197856	RXNFTKFLMZSHGT-UHFFFAOYSA-N	234.064	-0.869	50	10	BBGE	
CCC[C@H](COC)Nc1ncc(B(O)O)cn1	2217199099	AOLOBDAOXMHESN-SECBINFHSA-N	239.084	-0.617	50	10	BBGE	
C[C@H]1C[C@@H]1N(CCO)Cc1cccc(B(O)O)c1	2220064071	NGJLTMGUQBQNLL-GWCFXTLKSA-N	249.119	-0.431	50	10	BBGE	
C[C@]1(C(=O)Nc2ncc(B(O)O)cn2)C=CCC1	2220139248	AGGSTMSIHIQADK-NSHDSACASA-N	247.063	-0.549	50	10	BBGE	
CN(C[C@@H]1CCCNC1)c1ncccc1B(O)O	2223640805	YOCZSWXUVOGYJD-SNVBAGLBSA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CNC[C@H]2C2CC2)nc1	2223657500	BRECAZNPEHAOEY-WDEREUQCSA-N	248.091	-0.862	50	10	BBGE	
Cc1sc(C(=O)N2CCOC2)cc1B(O)O	2243383616	ZZHXYBYFYJFEBK-UHFFFAOYSA-N	241.077	-0.834	50	10	BBGE	
O=C(N[C@H]1CC12CC2)c1ncsc1B(O)O	2243398494	QFRNFJFINOUQCM-YFKPBYRVSA-N	238.077	-0.895	50	10	BBGE	
C=CC1(CNC(=O)C#CB(O)O)CCCC1	2243400791	HWQKMSAIHUEXGN-UHFFFAOYSA-N	221.065	-0.136	50	10	BBGE	
CCC1(NC(=O)c2cc(B(O)O)c[nH]2)CC1	2243404306	MEGSGRUMPRFXKU-UHFFFAOYSA-N	222.053	-0.633	50	10	BBGE	
C[C@]1(CO)CCN(C(=O)C2(B(O)O)CC2)C1	2243409869	QEXWDYPNTXFEGB-VIFPVBQESA-N	227.069	-0.776	50	10	BBGE	
C[C@@H]1[C@@H](CO)CCN1C(=O)C1(B(O)O)CC1	2243411409	SORDGLJLSSBXRX-HTQZYQBOSA-N	227.069	-0.777	50	10	BBGE	
C#CC1(NC(=O)c2sccc2B(O)O)CC1	2244536623	CWMZKYHFGSXZTB-UHFFFAOYSA-N	235.073	-0.677	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@]3(O)C[C@H]3C2)CCC1	2246749206	PRHUKXRZEXYYOO-JOYOIKCWSA-N	239.319	-0.397	50	10	BBGE	
CC1(C)CCO[C@@H](Cn2cc(B(O)O)cn2)C1	2246984280	OBYRHAIHNPAFDC-SNVBAGLBSA-N	238.096	-0.232	50	10	BBGE	
C#C[C@@H]1CCCN1C(=O)c1occc1B(O)O	2247754269	LTYVLEOHDDTUPH-MRVPVSSYSA-N	233.032	-0.803	50	10	BBGE	
O=C(NCC(F)F)c1ccc(F)c(B(O)O)c1	2247760334	GPOLNHIMOWBWSG-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
CC=CCCCNC(=O)c1c[nH]nc1B(O)O	2247784769	ADOMRLOAVKJLIB-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CC1	2247791444	NBHVMRKYFVRLFB-AEJSXWLSSA-N	240.112	-0.550	50	10	BBGE	
CC[C@@H](NC(=O)c1c[nH]nc1B(O)O)C1CC1	2247796777	CSPSIGQORGLHTJ-MRVPVSSYSA-N	237.068	-0.992	50	10	BBGE	
NC1CC(CCNC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2247797380	IXBMBTGVDHRVQW-LRHSEUGZSA-N	240.112	-0.517	50	10	BBGE	
CCC[C@@H](O)CCNC(=O)C1CC(B(O)O)C1	2247799172	AFAGSUNFMVKOIO-UDNWOFFPSA-N	243.112	-0.093	50	10	BBGE	
O=C(NCc1ccc(O)cc1)[C@@H]1C[C@@H]1B(O)O	2247804789	IOCZDBJAFPXTPJ-ZJUUUORDSA-N	235.048	-0.129	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21	2247848426	LSDLYHZBZOQOSP-OOZYFLPDSA-N	243.018	-0.591	50	10	BBGE	
CN(C[C@H](F)C1CCCC1)C(=O)C#CB(O)O	2247849783	FFAPGBOZSXQUMP-JTQLQIEISA-N	241.071	-0.012	50	10	BBGE	
CCN(C(=O)C#CB(O)O)[C@@H]1COC(C)(C)C1	2247850283	MLOOAPNLXKONHC-VIFPVBQESA-N	239.080	-0.582	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)[C@@H]1CCCOC1	2247851643	HTRGXJJXIKYTMY-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1O[C@H]2CC[C@H]1C2	2247869373	QKFYWNBJQRELEL-YUMQZZPRSA-N	236.036	-0.997	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1coc(B(O)O)c1	2247874895	UIKASNCSWMOGBW-YFKPBYRVSA-N	247.006	-0.267	50	10	BBGE	
O=C(NCCc1ccncc1)C1(B(O)O)CC1	2247878797	NINZKHWXJJTIGN-UHFFFAOYSA-N	234.064	-0.253	50	10	BBGE	
CCC[C@@H](CC)NC(=O)c1cc(B(O)O)n[nH]1	2247884917	BMQIIHBZCUORIL-SSDOTTSWSA-N	239.084	-0.602	50	10	BBGE	
N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247887807	RVRYRTTUSFRXOH-SOYHJAILSA-N	238.096	-0.813	50	10	BBGE	
CC(C)CO[C@H](C)C(=O)NCCC#CB(O)O	2250004161	HHJYVHVJYZUJCH-SNVBAGLBSA-N	241.096	-0.431	50	10	BBGE	
COCCN(CCCCC(=O)NN)C[C@@H](C)O	2250551774	JZEZKYUXSWVXNG-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
C#CC1(NC(=O)c2ccoc2B(O)O)CCC1	2250674421	MTRJHNJPOXPORM-UHFFFAOYSA-N	233.032	-0.755	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccoc1	2255467637	PYOZMLQKGIOAFU-SSDOTTSWSA-N	248.047	-0.222	50	10	BBGE	
O=C(Nc1ccccc1)c1ncc(B(O)O)cn1	2255471089	OJQRCQJKTKCKES-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
O=C(NCC1=CCCC1)c1ccc(B(O)O)cn1	2255517307	BKHNFXYZHOIESO-UHFFFAOYSA-N	246.075	-0.399	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)C(=O)c1cncc(B(O)O)c1	2255517760	FSACBZGTWAZJIG-LDYMZIIASA-N	248.091	-0.368	50	10	BBGE	
Cc1cnc(C(=O)N[C@@H]2[C@@H](C)[C@H]2C)c(B(O)O)c1	2255555667	FBPSVUMPOMGBDX-MBTKJCJQSA-N	248.091	-0.546	50	10	BBGE	
Cc1cc(C(=O)N2CCCO2)cc(C)c1B(O)O	2255559701	XVGBQRZCFXHZME-UHFFFAOYSA-N	249.075	-0.239	50	10	BBGE	
C=C=CCCNC(=O)c1cccc(F)c1B(O)O	2255692422	UUZLMUWWMORCNP-UHFFFAOYSA-N	249.050	-0.034	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1cc(B(O)O)ccc1O	2256017865	UVMWDGUUMIQTSB-VIFPVBQESA-N	249.075	-0.304	50	10	BBGE	
N[C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1B(O)O)C2	2298376319	RRSCOKMUWQMSJS-TURQNECASA-N	238.096	-0.811	50	10	BBGE	
C=C(CN1CCC(F)(CN(C)C)CC1)B(O)O	2300074306	WLXKYRYUSGCIDI-UHFFFAOYSA-N	244.119	-0.080	50	10	BBGE	
C[C@H](O)[C@@H]1CCN1CCC[C@@H]1C[C@H]1C(=O)NN	2300367240	DFFJZUWJZABJEO-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
CCNCCNc1ccc(C=O)c(B(O)O)c1	2301452142	CVYAYMLFJSVPHG-UHFFFAOYSA-N	236.080	-0.800	50	10	BBGE	
CC1(C)COC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	2303115420	UDCVWZARXGHCLO-BDAKNGLRSA-N	241.096	-0.266	50	10	BBGE	
OB(O)c1cccnc1OC[C@H]1C[C@@H]2CC[C@H]1N2	2312612234	KIERDUMYBWSHDO-WCABBAIRSA-N	248.091	-0.719	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	2312857140	UGYYHAFUSLZBEU-LKEDHPFLSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12	2312857142	UGYYHAFUSLZBEU-NORCUCSASA-N	247.059	-0.560	50	10	BBGE	
OB(O)c1ccnc(NC[C@@]23CC[C@@H](C2)NC3)c1	2316464307	ZLOVXZLBBKOACE-JQWIXIFHSA-N	247.107	-0.685	50	10	BBGE	
COc1cc(OC)nc(SCC(=O)NN)n1	3172399	NFYSUDIPGTYDFN-UHFFFAOYSA-N	244.276	-0.424	50	10	BBGE	
Cc1nc2c(=O)n(C)c(=O)[nH]c2n1CCCl	48546549	LNRIKQHHVFVSBG-UHFFFAOYSA-N	242.666	-0.029	50	10	BBGE	
CO[C@@H]1CCc2c(nc(C(=O)NN)n2C)C1	75848642	YPHNNOMCSIFXIP-ZCFIWIBFSA-N	224.264	-0.473	50	10	BBGE	
CN(CC(=O)NN)CC1CCOCC1	82545682	VSQZPTZNAYDQQN-UHFFFAOYSA-N	201.270	-0.665	50	10	BBGE	
CC(=O)NNC(=O)CSC[C@H](C)N	85314394	XHBGSDFJVKYLLC-YFKPBYRVSA-N	205.283	-0.766	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N(C)Cc1nccn1C	93071974	UDLNBAFSPZRRHS-BDAKNGLRSA-N	239.323	-0.134	50	10	BBGE	
CC(C)[C@H](C)OCCn1cc(C(=O)NN)nn1	124438733	OTCBYPXYHKPBQT-QMMMGPOBSA-N	241.295	-0.057	50	10	BBGE	
OCCOc1ccc(B(O)O)cc1C(F)(F)F	202633454	MKBBYTQKCOYPMZ-UHFFFAOYSA-N	249.981	-0.244	50	10	BBGE	
COC[C@@H](Sc1cnn(C)c1)C(=O)NN	232421608	UPHINADLINJGFB-SSDOTTSWSA-N	230.293	-0.483	50	10	BBGE	
CC[C@H]1CN(C)CCCN1CCC(=O)NN	234069342	YLIHJJHKYSYXMI-JTQLQIEISA-N	228.340	-0.218	50	10	BBGE	
CNC(=O)CCN(C)CCCCC(=O)NN	234349737	VUYZMVBJUYPZIF-UHFFFAOYSA-N	230.312	-0.786	50	10	BBGE	
C[C@@H]1C[C@H](N=C=O)CCN1S(=O)(=O)N(C)C	235299170	KDRWXJGGGXAYQP-RKDXNWHRSA-N	247.320	-0.019	50	10	BBGE	
NNC(=O)c1cccc(CN2CC[C@@H](O)C2)n1	236232790	LHMBEZDDFTURDS-SECBINFHSA-N	236.275	-0.748	50	10	BBGE	
CC(=O)N(C)Cc1ccc(B(O)O)cc1	238290022	VTZYDQPTZFEMSY-UHFFFAOYSA-N	207.038	-0.655	50	10	BBGE	
COc1ccc(F)c2cc(B(O)O)[nH]c12	238350462	DZEAQTFOKAVBDL-UHFFFAOYSA-N	208.985	-0.005	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)CO1	251785438	WOJSJIVOOUGDIY-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
COc1ccc(C)cc1[C@@H](N)C(=O)NN	258994179	LRINWJMTYSJVJF-SECBINFHSA-N	209.249	-0.007	50	10	BBGE	
N#CCC[C@H](N)c1ccc2c(c1B(O)O)OCO2	260752460	XJENAXUMHUAVAA-QMMMGPOBSA-N	248.047	-0.601	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@H]1CCO	304475261	BCGSLAJAYPAKQT-ZJUUUORDSA-N	229.324	-0.008	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)S1(=O)=O	306540703	WPYXWLDREPSVDU-ZCFIWIBFSA-N	228.701	-0.922	50	10	BBGE	
O=C/C=C\[C@H](O)[C@@H](O)CBr	307822112	JPSNWESNMHSJOW-WKBLSSNGSA-N	209.039	-0.142	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCCn1cncn1	381886754	IVFAPAGVEWMFME-ZCFIWIBFSA-N	245.670	-0.269	50	10	BBGE	
N#C[C@@H](Cl)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1	388103285	VBOBEEYBBLLUJX-QYNIQEEDSA-N	227.651	-0.678	50	10	BBGE	
CCC(=O)c1cccc(CO)c1B(O)O	396038196	GPHJGSKMNJTZJH-UHFFFAOYSA-N	208.022	-0.549	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(OC(F)F)C1	399928749	NOKJZFUEMVGXJC-NTSWFWBYSA-N	237.250	-0.076	50	10	BBGE	
C[C@@H]1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)O1	404961910	CRDPFUSLATWEAL-KCJUWKMLSA-N	249.075	-0.128	50	10	BBGE	
Cc1nn([C@@H]2CCCO2)c(C)c1B(O)O	686739390	KPXZJQPQIIXHGR-QMMMGPOBSA-N	210.042	-0.511	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C(C)(C)CCO	688420903	HSXDBYIWGCEZHF-UHFFFAOYSA-N	231.296	-0.754	50	10	BBGE	
CN([C@H]1COC[C@H]1O)S(=O)(=O)CCCl	709319072	LQWXOAAAZGXVCU-NKWVEPMBSA-N	243.712	-0.754	50	10	BBGE	
C[C@H](C(N)=O)N(C)[C@H](C(=O)NN)C(C)(C)C	711140001	REZMJGYWSWZZPH-RNFRBKRXSA-N	230.312	-0.803	50	10	BBGE	
CN(C)NC(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F	715372461	BFFRXRCAJKDYGM-WHFBIAKZSA-N	237.206	-0.272	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNc1nnc(C)n1C	856046170	YTAQNCVPJADHDR-ZETCQYMHSA-N	237.263	-0.395	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1nnc(C2CC2)o1	911443869	AQPFIYFWFOQDBL-ZCFIWIBFSA-N	240.263	-0.096	50	10	BBGE	
Cc1cccnc1NNC(=O)[C@H]1C[C@H]1C(N)=O	1154291604	IUYRAWBNDJRYMP-SFYZADRCSA-N	234.259	-0.045	50	10	BBGE	
CCO/C=C(/C#N)C(=O)Nc1n[nH]cc1C(N)=O	1180980690	UKYZOVOXQXPMDD-WAYWQWQTSA-N	249.230	-0.109	50	10	BBGE	
Cn1cnc(C(=O)NNc2ncccn2)cc1=O	1588244445	IBPYBOFKEMVGPW-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cccnn1	1597260525	OTZYXYLDYCXYDP-VDTYLAMSSA-N	237.219	-0.583	50	10	BBGE	
COC/C=C/C(=O)NNC(=O)c1ccnnc1	1630214518	DIHBYXLGDOEQIH-NSCUHMNNSA-N	236.231	-0.560	50	10	BBGE	
Cn1ccc(NNC(=O)c2cc(O)ncn2)n1	1641538413	OVSOIVAWXCZVDH-UHFFFAOYSA-N	234.219	-0.327	50	10	BBGE	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NN	1879958801	XRPVSGNJCBZJNO-PHDIDXHHSA-N	233.268	-0.750	50	10	BBGE	
CS(=O)(=O)CC(=O)NCC#CCCl	1881932416	WOLHMXDYXPTXNE-UHFFFAOYSA-N	223.681	-0.611	50	10	BBGE	
NC(=O)NC(=O)CNC[C@@H]1C[C@@H]1Cl	1883550495	FNHQPWAGPFWNTM-WHFBIAKZSA-N	205.645	-0.602	50	10	BBGE	
C[C@H](NC(=O)C=CC(=O)Cl)C(=O)O	1883626265	DLGBBGXWNRDHHW-BYPYZUCNSA-N	205.597	-0.103	50	10	BBGE	
NCC(CN)NC(=O)C1CC(Cl)C1	1883635705	AZSPTXYFSDQCIY-UHFFFAOYSA-N	205.689	-0.594	50	10	BBGE	
O=C(NC1CC(Cl)C1)[C@@H]1C[C@@H](O)CN1	1884410905	WHUBMSXFDLUIOQ-CRYROECRSA-N	218.684	-0.405	50	10	BBGE	
COC[C@H](NC(=O)NN)C(F)(F)F	1887093573	DBKJOSZNNXYQTG-VKHMYHEASA-N	201.148	-0.263	50	10	BBGE	
CC[C@](C)(COC1COC1)C(=O)NN	1891955816	BUGGBIBNDVRGPQ-SECBINFHSA-N	202.254	-0.192	50	10	BBGE	
C[C@H](CS(N)(=O)=O)NC(=O)[C@H]1C[C@H]1Cl	1893469754	LYWDZKRDJMQQJP-NGJCXOISSA-N	240.712	-0.593	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]2C[C@@H]21	1895004373	XPSTWEXOYPFUOY-AATLWQCWSA-N	224.308	-0.999	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]2C)c(B(O)O)s1	1899939635	OFEBSVHQGZJOFI-LURJTMIESA-N	239.105	-0.029	50	10	BBGE	
C[C@@H](COc1cncc(C#N)c1)C(=O)NN	1901436833	SPVPCFKOIPWMIH-ZETCQYMHSA-N	220.232	-0.042	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCSC2)n1	1902723533	VHUVQRYTUFWIEU-UHFFFAOYSA-N	240.093	-0.719	50	10	BBGE	
OB(O)c1cc(Sc2nc[nH]n2)ncc1F	1903006236	QJPPERNKKRFLEB-UHFFFAOYSA-N	240.028	-0.830	50	10	BBGE	
OB(O)c1cnc(OC[C@H]2C[C@H](F)C2)nc1	1904944533	MSNHIWGLFNSQME-FKQCQYRASA-N	226.016	-0.717	50	10	BBGE	
Cc1ncnc(O[C@H]2C=CCC2)c1B(O)O	1905222432	PLIQMBFZIFWSHJ-QMMMGPOBSA-N	220.037	-0.438	50	10	BBGE	
C=CC[C@H](C)OCCOCC(=O)NN	1913343484	PBLRHCAYEVKWDG-QMMMGPOBSA-N	202.254	-0.026	50	10	BBGE	
O=S1(=NCc2cccc(B(O)O)c2)CCC1	1913859127	OQHSTJSVPKGDHK-UHFFFAOYSA-N	239.105	-0.262	50	10	BBGE	
COC[C@@H](C)C(=O)Nc1ccc(B(O)O)cc1	1924023424	PRYMYTCXHXXQIP-MRVPVSSYSA-N	237.064	-0.413	50	10	BBGE	
NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCl)C1	1928418403	FCLCDJYNBDACND-RITPCOANSA-N	240.712	-0.244	50	10	BBGE	
O=C(NNCCO)[C@H]1CCCSC1	1929839046	XFMFUPLSLIBYAL-ZETCQYMHSA-N	204.295	-0.257	50	10	BBGE	
CO[C@H]1CN(CC(=O)NN)CC1(C)C	1930243675	MMAMNNLBPMMTRW-ZETCQYMHSA-N	201.270	-0.667	50	10	BBGE	
CN1CCC[C@H](CC(=O)NNC(N)=S)C1	1931359822	JYMOCMIPJYLVER-SSDOTTSWSA-N	230.337	-0.417	50	10	BBGE	
NC(=O)[C@@H](NS(=O)(=O)CCl)C1CC1	1932386068	CCAANJCWBVLJKY-YFKPBYRVSA-N	226.685	-0.634	50	10	BBGE	
O=C(NC[C@@H]1COC[C@@H]1O)OCCl	1933390424	WEWZWDPBSSJTOR-RITPCOANSA-N	209.629	-0.084	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC(CO)CC1	1935944223	KNNVAUWOPNGCEE-UHFFFAOYSA-N	237.250	-0.684	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)CC[C@@H]1O	1941088293	PMEAVYSYHSTYCZ-AEJSXWLSSA-N	241.335	-0.295	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC1)C[C@@H]2CO	1944030642	XCHBSOJLRIEBNP-SNVBAGLBSA-N	241.335	-0.149	50	10	BBGE	
CN(Cc1cncn1C)CC(F)(F)C(=O)NN	1944727033	PXGSEKSKQVKTKB-UHFFFAOYSA-N	247.249	-0.523	50	10	BBGE	
CC1(C)CN(CCCCC(=O)NN)CC(=O)N1	1945292514	CGRPCFHJEABHJN-UHFFFAOYSA-N	242.323	-0.643	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949271550	UCZNMMTYEPLWJI-VPOLOUISSA-N	241.335	-0.011	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCC[C@]23C[C@H](CO2)[C@H]13	1949402158	IRJRXDXURLNQBB-FBSDJGSXSA-N	239.275	-0.950	50	10	BBGE	
C[C@@H](Cl)C(=O)[C@@]1(N)CCS(=O)(=O)C1	1954079321	WEVSHCDZEUJSEP-IYSWYEEDSA-N	225.697	-0.301	50	10	BBGE	
C[C@H]1CC[C@H](CC(=O)NNC(N)=S)O1	1955612633	BDRZENGLNZZYKK-NTSWFWBYSA-N	217.294	-0.192	50	10	BBGE	
O=c1nc(Cn2cnnc2CCl)[nH]o1	1956966254	SABVINQMTMAWLO-UHFFFAOYSA-N	215.600	-0.259	50	10	BBGE	
C[C@H](O)[C@@H](N)C(=O)N1CCSSCC1	1957354989	ARIDPCOQUBEXTH-NKWVEPMBSA-N	236.362	-0.082	50	10	BBGE	
CCN(CC(=O)NN)Cc1nc(C)no1	1958694439	ARKJUEGUYXJLTG-UHFFFAOYSA-N	213.241	-0.810	50	10	BBGE	
CC[C@H](Cl)C(=O)N1CC(=O)NC(=O)[C@@H]1C	1958793625	MNOKRKFMRDWIKW-WDSKDSINSA-N	232.667	-0.123	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@]2(C(=O)O)C[C@H]12	1958833893	RDOWOLKZDQMYQW-QIOHGKGESA-N	213.237	-0.375	50	10	BBGE	
C[C@@H](Cl)CC(=O)N[C@@H]1CC(=O)N(C)C1=O	1962389190	CEMJBNWFHRGYOI-PHDIDXHHSA-N	232.667	-0.123	50	10	BBGE	
C[C@@H](CN(C)[C@@]1(C)CCOC1)C(=O)NN	1974594820	HPSFTPKNSQIFTL-WPRPVWTQSA-N	215.297	-0.277	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@]1(C)COC	1974738377	WWOWQHUGAOMWBS-WPRPVWTQSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H](O)C[C@@H](C)C1	1976441014	LEHXOVVWCCKKGV-KXUCPTDWSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC[C@H]1CN(C)C	1976931819	JXKTYVNIKYCZEN-UWVGGRQHSA-N	228.340	-0.363	50	10	BBGE	
O=C(O)[C@H](CB(O)O)N[S@@](=O)C1CCCC1	1976994345	HXKRGRUBWYQOCU-GYKQLYQFSA-N	249.097	-0.892	50	10	BBGE	
CO[C@H](CCCl)CNC(=O)Cn1cnnn1	1980263505	WYXDMYBYRNOVQX-SSDOTTSWSA-N	247.686	-0.567	50	10	BBGE	
CCN(CCOCCCl)[C@H]1CC(=O)NC1=O	1981040980	KMFDGWUWQPMDRL-QMMMGPOBSA-N	248.710	-0.021	50	10	BBGE	
C[C@H]1CC(F)(F)CN1CCOCC(=O)NN	1981240123	QJCFETBIVFITQJ-ZETCQYMHSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](Oc1ncncc1B(O)O)C1CCC1	1981424090	NWPYAJXLXMXMIF-ZETCQYMHSA-N	222.053	-0.276	50	10	BBGE	
Cc1ccc(B(O)O)c(S[C@H]2CCOC2)n1	1981451218	SPFUVAXVPRVNTM-QMMMGPOBSA-N	239.105	-0.049	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1CC(F)(F)C1	1981472698	STXZIXNYVUJEJW-UHFFFAOYSA-N	228.007	-0.475	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1OCC[C@H]1F)C(=O)NN	1984337017	FUKDISCOODBKDO-HLTSFMKQSA-N	233.287	-0.329	50	10	BBGE	
O[C@H]1[C@H]2C[C@@H](CN(CCOCCCl)C2)[C@@H]1O	1985763274	TZQRPLBSQIFRRP-NAKRPEOUSA-N	249.738	-0.085	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@H]1COC2CC1C2	1986052798	DHFFMYGHFMXLCG-WOOKNIGNSA-N	227.308	-0.136	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](C2(O)CC2)C1	1987341849	USVZEUDBBSTKBS-BDAKNGLRSA-N	227.308	-0.398	50	10	BBGE	
CC(C)[C@@H](C)Cn1cc(B(O)O)ccc1=O	1988301020	DVXFGQOEKFEXEZ-VIFPVBQESA-N	223.081	-0.180	50	10	BBGE	
CC[C@H](C(=O)NCC#CB(O)O)C(C)(F)F	1992139344	TWUMLPKUJUICLQ-SSDOTTSWSA-N	233.023	-0.201	50	10	BBGE	
C=C(CN1CCC[C@H]2[C@@H]1CCN2C)B(O)O	1992158667	BUVYOOXIAYDKRO-QWRGUYRKSA-N	224.113	-0.277	50	10	BBGE	
C=C(F)CNC(=O)c1ccccc1B(O)O	1992836298	LOMZCCVSARHOFM-UHFFFAOYSA-N	223.012	-0.421	50	10	BBGE	
C[C@H]1C[C@@]1(F)Cn1cccc(B(O)O)c1=O	1995034917	VZBIRSZDFCNREP-OIBJUYFYSA-N	225.028	-0.724	50	10	BBGE	
Cn1ncc(C(=O)NN)c1CN1C[C@@H]2C[C@H]2C1	2003508447	CGDKEYZAUOBTRG-YUMQZZPRSA-N	235.291	-0.525	50	10	BBGE	
CN(Cc1ccoc1)c1ncc(B(O)O)cn1	2004911654	JOHTZQIHVVOWJD-UHFFFAOYSA-N	233.036	-0.614	50	10	BBGE	
CN(C[C@H]1CC1(F)F)c1ncc(B(O)O)cn1	2004919273	WWXPTFGZHPIWBO-ZCFIWIBFSA-N	243.022	-0.752	50	10	BBGE	
NNC(=O)CCCN1CCC2(CC1)CC(O)C2	2013327455	FCGYOTHGQMHLHO-UHFFFAOYSA-N	241.335	-0.007	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](C)NC(=O)C1(C)C	2013376219	PBOUNUUDECBRMS-SFYZADRCSA-N	242.323	-0.646	50	10	BBGE	
CN(CCC(=O)NN)[C@H]1CC(=O)N2CCC[C@@H]12	2014830644	BZZFQDKHZJBUNK-IUCAKERBSA-N	240.307	-0.939	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CC3(CCCC3)O2)n1	2015569709	BYTHUOCFONMKGX-VIFPVBQESA-N	236.080	-0.335	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2CC(C)C2)n1	2017329748	QCYXUFRUPKXJHE-UHFFFAOYSA-N	236.080	-0.110	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1CC[C@H]2[C@H]1C2(F)F	2020057662	CPTVHQCMQUPJRS-CSMHCCOUSA-N	245.034	-0.038	50	10	BBGE	
Cc1cc(C(=O)NCC=CB(O)O)c(C)cn1	2020067939	MKZKMTWSDNICPK-UHFFFAOYSA-N	234.064	-0.004	50	10	BBGE	
C=C(CN1CCC[C@@H]1c1nncn1C)B(O)O	2021158474	CSPULRUMDQGLOR-SECBINFHSA-N	236.084	-0.480	50	10	BBGE	
Cc1nnc(CN(C)c2ncccc2B(O)O)o1	2052494350	KZSDJRYIKSBNGM-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1cccnc1N1CC[C@H]2COCC[C@@H]21	2052498616	GWBZVNGCLIWFNT-ONGXEEELSA-N	248.091	-0.623	50	10	BBGE	
Cc1ccncc1Cn1cccc(B(O)O)c1=O	2058160115	DUTJGWHAUPSLMQ-UHFFFAOYSA-N	244.059	-0.720	50	10	BBGE	
CCOc1cc(B(O)O)c(OC)cc1[N+](=O)[O-]	2060014558	NYVAKIVLILIFFT-UHFFFAOYSA-N	241.008	-0.318	50	10	BBGE	
Cc1c(B(O)O)ccc([N+](=O)[O-])c1C=O	2060284117	XLAJIGRVPUAATO-UHFFFAOYSA-N	208.966	-0.604	50	10	BBGE	
CN(Cc1ccccc1B(O)O)C[C@H]1CCN1C	2066392096	GRSXLCCVNJIAKG-GFCCVEGCSA-N	248.135	-0.498	50	10	BBGE	
O=S(=O)(CCl)NCCN1CCCO1	2209148042	WNEQBQIMQZDGIE-UHFFFAOYSA-N	228.701	-0.261	50	10	BBGE	
CCN(C[C@H]1CC[C@@H]1C(=O)NN)S(C)(=O)=O	2211838203	DPYKSRDPQXDPHP-SFYZADRCSA-N	249.336	-0.716	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]2CO)CCCC1	2212448620	PXIRYFRNAAXHEQ-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
CC[C@@H](CSC)Nc1ncc(B(O)O)cn1	2212600815	GBBWHSKROQCSLY-QMMMGPOBSA-N	241.125	-0.290	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1ccc(B(O)O)cn1	2212603770	RFMOMSWKVCJKPX-JGVFFNPUSA-N	224.069	-0.403	50	10	BBGE	
CSC1CN(c2nccc(B(O)O)c2F)C1	2212604977	VPBGIEDOFQAUIS-UHFFFAOYSA-N	242.084	-0.548	50	10	BBGE	
C#CC1(Oc2cc(B(O)O)c(C)cn2)CC1	2212605109	XXLYJYKAPBWFOT-UHFFFAOYSA-N	217.033	-0.386	50	10	BBGE	
CNC(C)(C)COc1cc(B(O)O)ccn1	2212611998	GNVCUNMDJBPPIL-UHFFFAOYSA-N	224.069	-0.862	50	10	BBGE	
OB(O)c1cnc(=NCC2CCCC2)[nH]c1	2212613095	ROUVNZKGILBQJT-UHFFFAOYSA-N	221.069	-0.820	50	10	BBGE	
CO[C@@H]1CC[C@H]1CN(C)CCOCC(=O)NN	2215008463	KTIGVJSTDLZQBA-VHSXEESVSA-N	245.323	-0.650	50	10	BBGE	
OB(O)c1ccc(=NCC[C@@H]2CCOC2)[nH]c1	2217178544	XKQOCSNIRYQUCV-SECBINFHSA-N	236.080	-0.978	50	10	BBGE	
C[C@]1(CO)C[C@H](Nc2ncccc2B(O)O)C1	2217179945	PFJHHAPZISREQT-JLIMDTESSA-N	236.080	-0.666	50	10	BBGE	
CO[C@H](C)CCN=c1[nH]ccc(B(O)O)c1F	2217180096	FGWDYVXBVDHKGT-SSDOTTSWSA-N	242.059	-0.841	50	10	BBGE	
CN1CC[C@@H](Nc2nccc(B(O)O)c2F)C1	2217181559	RRXIOUOELDFAHO-SSDOTTSWSA-N	239.059	-0.984	50	10	BBGE	
Cc1cnc(N[C@H]2CC[C@H](O)C2)cc1B(O)O	2217181621	SDJOWZQEXLECMK-IUCAKERBSA-N	236.080	-0.605	50	10	BBGE	
C[C@H](N)CC(C)(C)Oc1ccc(B(O)O)cn1	2217188535	PNOSWXKZKNIRMS-QMMMGPOBSA-N	238.096	-0.344	50	10	BBGE	
CC1(C)CN(Cc2cccc(B(O)O)c2)C[C@H]1O	2220061366	DLGNBHMYGUJLJI-GFCCVEGCSA-N	249.119	-0.431	50	10	BBGE	
OB(O)c1cccnc1NCCC1CCNCC1	2223634694	NQMYFVLKAJNIEP-UHFFFAOYSA-N	249.123	-0.437	50	10	BBGE	
Cc1cnc(N2CCC[C@@](C)(N)C2)cc1B(O)O	2223649815	DLPYQWHEAITWMD-GFCCVEGCSA-N	249.123	-0.613	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1cncn1C	2223666767	NZHUBIPWMVYLBN-MRVPVSSYSA-N	246.079	-0.332	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@H]1COC2CC1C2	2223676871	GYLTVELWHZYKEW-RFBVYIQQSA-N	248.091	-0.625	50	10	BBGE	
O=C(NCCF)c1ccsc1B(O)O	2241478652	JTAYJZWYAHTNSG-UHFFFAOYSA-N	217.030	-0.873	50	10	BBGE	
CCN(CCF)C(=O)[C@H]1C[C@@H]1B(O)O	2241496347	RQSOJKOBRGXUAP-BQBZGAKWSA-N	203.022	-0.333	50	10	BBGE	
O=C(NO)c1ccc(Cl)c(B(O)O)c1	2241583723	CGVZLBPMWXSKLK-UHFFFAOYSA-N	215.401	-0.861	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1Cl)c1coc(B(O)O)c1	2243347595	OGFPSXJWUPLMOL-FSPLSTOPSA-N	243.455	-0.684	50	10	BBGE	
Cc1nc(C(=O)N[C@H]2C[C@@H]2C)c(B(O)O)s1	2243359045	OAVQXOQZTWGKQP-NJGYIYPDSA-N	240.093	-0.730	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1sccc1B(O)O	2243374623	HTAHZIXQNGYIHH-YFKPBYRVSA-N	247.031	-0.435	50	10	BBGE	
CP(C)(=O)[C@H]1CCCN1C(=O)C#CB(O)O	2243400915	JNDNUPNDEGLPBU-VIFPVBQESA-N	243.008	-0.427	50	10	BBGE	
CN(C[C@]1(C)CCCO1)C(=O)C#CB(O)O	2243403978	HCLARBXJSHCWFU-JTQLQIEISA-N	225.053	-0.971	50	10	BBGE	
CC(C)C1(CNC(=O)C#CB(O)O)CCC1	2243404255	LJJNHHAXYJFLLD-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
CC[C@H]1C[C@H]1NC(=O)c1cscc1B(O)O	2243410608	FCUWTWIYMBGVHV-IMTBSYHQSA-N	239.105	-0.044	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@]1(C)CC1(C)C)B(O)O	2243412750	SEHZCILXAZIGJM-VIFPVBQESA-N	247.125	-0.337	50	10	BBGE	
CCC(C)(C)NC(=O)c1csnc1B(O)O	2243412770	SLQQAGPRXOQTFJ-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
C[C@@H](NC(=O)C(F)F)c1cc(B(O)O)cs1	2243665045	PIVATOWPTZNMBX-SCSAIBSYSA-N	249.047	-0.130	50	10	BBGE	
CC1(F)CN(C(=O)c2cc(B(O)O)co2)C1	2244211291	IQJZEOYJCBAFJB-UHFFFAOYSA-N	227.000	-0.857	50	10	BBGE	
CC[S@](=O)NCc1ccc(B(O)O)c(C)c1	2245278227	YEASHCGSVCGRKC-INIZCTEOSA-N	241.121	-0.552	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N1CCC(B(O)O)CC1	2246338127	NVYMWJKTSIZCIX-PSASIEDQSA-N	241.096	-0.123	50	10	BBGE	
CC(F)(F)CNC(=O)c1ccncc1B(O)O	2247738992	XLQHPJGOYNBNJO-UHFFFAOYSA-N	244.006	-0.854	50	10	BBGE	
CC[C@](C)(CN)N(C)C(=O)C1(B(O)O)CCC1	2247750132	FEZUPLWIQVZQQW-SNVBAGLBSA-N	242.128	-0.031	50	10	BBGE	
O=C(NCCCF)c1ccc(F)cc1B(O)O	2247751742	BMFGAZVAZAWAIQ-UHFFFAOYSA-N	243.018	-0.405	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CCC12CCC2	2247866634	PJNKOUPPZGENHT-UHFFFAOYSA-N	235.048	-0.272	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1ncccc1B(O)O	2247869647	WEFFTDDIOGNJIW-SFYZADRCSA-N	234.064	-0.758	50	10	BBGE	
CC=CCNC(=O)c1cccc(B(O)O)c1C	2247873496	CFAXNFCGADCBSC-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(N1CC[C@@H](C2(O)CC2)C1)C1(B(O)O)CC1	2247874751	SZEMLXIOBQIIDI-MRVPVSSYSA-N	239.080	-0.633	50	10	BBGE	
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247895134	PADCKCOIGSLMPB-DTORHVGOSA-N	243.112	-0.141	50	10	BBGE	
C[C@H](CC1CNC1)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247911266	UVZGVQZUXYPWBT-QNSHHTMESA-N	240.112	-0.646	50	10	BBGE	
O=C(Nc1cc(B(O)O)ccn1)[C@@H]1C=CCC1	2248397495	LHFNMZOVPVMVTP-MRVPVSSYSA-N	232.048	-0.334	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CC[C@@H]2C1	2249427263	DASRDUOYFUDTGO-HTQZYQBOSA-N	235.048	-0.559	50	10	BBGE	
Cc1ccc2c(c1)CCN(C(=O)C#CB(O)O)C2	2255468635	DOGSEEUSDOJFLH-UHFFFAOYSA-N	243.071	-0.105	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N[C@@H]1C[C@H]1C	2255500064	GSTOTKUQLAWKQG-GMSGAONNSA-N	249.075	-0.487	50	10	BBGE	
C[C@@H](CC#N)N(C)C(=O)c1cncc(B(O)O)c1	2255524289	WFOGDKHADOVBKD-QMMMGPOBSA-N	247.063	-0.864	50	10	BBGE	
Cc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@@H]1B(O)O)CC2	2255567749	FEWCBWPJQDMUAG-APPZFPTMSA-N	249.079	-0.534	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1C[C@@H]2CC=CC[C@H]21	2255679292	GCBCQACINMQQJU-GZMMTYOYSA-N	246.075	-0.515	50	10	BBGE	
O=C(NC1CC=CC1)c1ccc(F)cc1B(O)O	2255745811	SPGVAKJKIGGDBR-UHFFFAOYSA-N	249.050	-0.046	50	10	BBGE	
O=C(N[C@@H]1CC[C@@H]1C1CC1)c1cc(B(O)O)co1	2258133686	IXMBPGIQIYLDDF-NXEZZACHSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2CCC[C@@H]2C1	2258138791	OMLWHEBZSAUGTD-RKDXNWHRSA-N	249.075	-0.169	50	10	BBGE	
COc1ccncc1C(=O)NCCC#CB(O)O	2258954530	LIKMYQXSDJMSNX-UHFFFAOYSA-N	248.047	-0.775	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN1C[C@@H]1CC[C@H]1C(=O)NN	2298165446	BYBNXZGMFCWZFJ-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
O=C(N[C@H]1CCNC2(CC2)C1)[C@H]1C[C@H]1B(O)O	2298368624	PKTJFGBNEFAVHG-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CO[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298369134	KMHQOWJRIIPGFC-KYXWUPHJSA-N	241.096	-0.125	50	10	BBGE	
C[C@@H]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298369891	IIUCIBXMDMLSHJ-CDLYGTGVSA-N	241.096	-0.483	50	10	BBGE	
OB(O)C1CCN(CC2(O)CCOCC2)CC1	2299168433	WOAFTTAEPUYNLE-UHFFFAOYSA-N	243.112	-0.533	50	10	BBGE	
C[C@@H](C[C@@H](C)O)Nc1cc(B(O)O)c(F)cn1	2303834604	IWIRRYGCUXOHPJ-NKWVEPMBSA-N	242.059	-0.528	50	10	BBGE	
CNC(=O)C[C@H]1CCCCN1CCC(=O)NN	2303942193	JDVFYUOPRJBUJD-SECBINFHSA-N	242.323	-0.643	50	10	BBGE	
O=Cc1ccc(N2CCC[C@H](O)C2)cc1B(O)O	2317347668	AYKKMXWBXLLTFI-NSHDSACASA-N	249.075	-0.860	50	10	BBGE	
Cc1ccnnc1C(=O)N1CC[C@](C)(B(O)O)C1	2319676148	BSLDIDMYERJTMO-NSHDSACASA-N	249.079	-0.136	50	10	BBGE	
CCNC=C(C#N)C(=O)N[C@@H](C)C(=O)O	2324969572	JLWLBBMUROMYND-LURJTMIESA-N	211.221	-0.407	50	10	BBGE	
O=CNNC(=O)Cn1cnc2ccccc21	10150793	UJBBKRRVULYUOW-UHFFFAOYSA-N	218.216	-0.187	50	10	BBGE	
NC(=O)NNC(=O)c1ccc2nccnc2c1	70488711	XTGRGCUAMNTXEZ-UHFFFAOYSA-N	231.215	-0.057	50	10	BBGE	
CCCOC[C@H]1CC[C@H](C(=O)NN)O1	82464971	JNCXBJPEVQLARA-HTQZYQBOSA-N	202.254	-0.050	50	10	BBGE	
C[C@H]1C(=O)NCCN1C(=O)NC(=O)CCl	82476166	DEWUKFGLYQEODW-YFKPBYRVSA-N	233.655	-0.718	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)NNC(=O)c1c[nH]nn1	104643809	UJLCBFVSGSAQDP-CRCLSJGQSA-N	209.209	-0.778	50	10	BBGE	
Cn1ccn(Cc2ccc(C(=O)NN)cn2)c1=O	149369549	SVUPFTGXYKVHPA-UHFFFAOYSA-N	247.258	-0.766	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCCN(C)CC1	211935574	QQZTZISPGDTZFD-SNVBAGLBSA-N	228.340	-0.218	50	10	BBGE	
O=S(=O)(CCCl)N1CCOC[C@@H]1CO	232301593	NBJCWSHSLVNGKR-ZETCQYMHSA-N	243.712	-0.752	50	10	BBGE	
OB(O)c1cncc(OC/C=C/Cl)c1	236416797	OPDGJHVNJXAMDB-OWOJBTEDSA-N	213.429	-0.107	50	10	BBGE	
O=C(NCCCCl)N1CCN(CCO)CC1	244456643	ZENBRMFBSBGDGT-UHFFFAOYSA-N	249.742	-0.065	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCCC[C@H]1CO	252611684	VUCUAZHFVCNBRQ-GUBZILKMSA-N	229.324	-0.152	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@H](C)[C@H]1CO	299911279	NIFFJAARVUMZJK-IVZWLZJFSA-N	229.324	-0.152	50	10	BBGE	
NNC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	302480507	YPYBOSJXSMZMII-XVPYXCLNSA-N	239.319	-0.542	50	10	BBGE	
OB(O)c1ccc(F)c(Br)c1O	307273187	HYNGWRSIRSLUCV-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
O=C(CBr)N1CC[C@](O)(CO)C1	307559317	FRDDJHNKYMYWHF-SSDOTTSWSA-N	238.081	-0.663	50	10	BBGE	
C[C@@H]1[C@H](CO)CCN1CCCCC(=O)NN	385634408	IZJJTVYCNSCVHF-ZJUUUORDSA-N	229.324	-0.151	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)C(C)(C)C1	388232244	YHWJUPYBNBIOGG-BDAKNGLRSA-N	229.324	-0.152	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)COC(C)(C)C	393659891	UBRKBTKTVVWUSS-ZETCQYMHSA-N	203.286	-0.278	50	10	BBGE	
OCc1ccc2c(O)csc2c1B(O)O	396345244	PKSLBUGAQFADHZ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
Cc1ccc(B(O)O)cc1NC(=O)c1cc[nH]n1	404920296	UDHKWIUHTMCPDX-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@H]1CCOC1	404943108	MKZODJZHFVXIHB-QMMMGPOBSA-N	235.048	-0.659	50	10	BBGE	
CC(C)[S@](=O)Nc1ccc(F)cc1B(O)O	404959176	ZHVHLIKKNFCNDQ-INIZCTEOSA-N	245.084	-0.011	50	10	BBGE	
CN(C)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1	693400686	ZTZFHILVBBFZMZ-OLQVQODUSA-N	201.226	-0.375	50	10	BBGE	
OB(O)c1cnn(CC=C(Cl)Cl)c1	694502744	WKPPDVRKGMCBIP-UHFFFAOYSA-N	220.852	-0.118	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCOC[C@@H]1CCO	694918516	DQUVYFUTFIPUFA-ZJUUUORDSA-N	245.323	-0.772	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1C1CC1	698369489	RVCKSTVHUIRMRQ-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
CCNC(=O)CCN1[C@H]2CC[C@H]1C(=O)OC2=O	703424230	KMQGJVUOTYDKNQ-YUMQZZPRSA-N	240.259	-0.571	50	10	BBGE	
CCSC[C@H](C)N(C)C(=O)C(=O)NN	706418970	UUNVKXYADWUQTF-LURJTMIESA-N	219.310	-0.424	50	10	BBGE	
CN(C(=O)CBr)[C@H]1COC[C@@H]1O	709112215	XPBYAJCXVKVVBA-WDSKDSINSA-N	238.081	-0.401	50	10	BBGE	
O=C(Nc1ccc(F)cc1B(O)O)c1cnc[nH]1	709748247	LCYRXZAJYRNRJI-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C[C@H](CN1C[C@H]2C[C@@H](O)C[C@H]1C2)C(=O)NN	710476163	KJTAKUXIJITNIW-ZYUZMQFOSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H]2[C@H](C1)C2(F)F	715401874	KAKGXFMSMCQCJB-LYFYHCNISA-N	219.235	-0.048	50	10	BBGE	
Cc1ccc(NC(=O)COC2CC2)c(B(O)O)c1	716968634	YABMNBZOVKQINB-UHFFFAOYSA-N	249.075	-0.208	50	10	BBGE	
NNC(=O)C(=O)NCC1CC2(CSC2)C1	717877095	VRTAUGQVTVJPCF-UHFFFAOYSA-N	229.305	-0.764	50	10	BBGE	
ClCc1c[nH]n[n+]1CC1=[S+]CN=C1	725588304	HTBNASDWEBVGMN-UHFFFAOYSA-O	216.697	-0.267	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)c2ccco2)nn1	808375169	OSRBGRMBDQODLX-UHFFFAOYSA-N	235.203	-0.517	50	10	BBGE	
COC[C@H](C)C=NNC(=O)c1cn(C)nn1	853386207	YFVWVTKJSQHEOO-SSDOTTSWSA-N	225.252	-0.187	50	10	BBGE	
C[C@H](CC(=O)NNC(=O)CO)[C@@H]1CCCO1	857170695	RVONFEKYANWRID-SFYZADRCSA-N	230.264	-0.669	50	10	BBGE	
O=S(=O)(CCl)N1CC=C[C@H]1CO	882785403	IRLIEXVJQKAMFO-LURJTMIESA-N	211.670	-0.255	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCC(=O)N(C)OC	1299530907	WSAIQEGOENHFDT-FPLPWBNLSA-N	241.247	-0.434	50	10	BBGE	
Cn1cc(CC(=O)NNC(=O)c2cn[nH]c2)cn1	1461837157	NCTGVTMTNNELGY-UHFFFAOYSA-N	248.246	-0.853	50	10	BBGE	
O=C(NNC(=O)C1CC1)c1ccnc(CO)c1	1538518880	JJZUXLBPBQGTCA-UHFFFAOYSA-N	235.243	-0.255	50	10	BBGE	
CN(NC(=O)Cn1nnc2ccccc21)C(N)=O	1596554263	FDVPHZWQOHGSLF-UHFFFAOYSA-N	248.246	-0.527	50	10	BBGE	
CN(N)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	1879957473	BYQLRTPYJUILTA-LURJTMIESA-N	233.268	-0.796	50	10	BBGE	
C[C@](N)(CO)CNC(=O)/C=C/C(=O)Cl	1893510339	WUNJYWVKJCKMBT-UFUPEUMYSA-N	220.656	-0.866	50	10	BBGE	
C[C@@H](CN)SC[C@@H]1CCC[C@@H](C(=O)NN)O1	1896929552	PDABBFSZNFTRAO-CIUDSAMLSA-N	247.364	-0.006	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H]1CCNC1	1901374364	CZTFZAXRLVQLKJ-QMMMGPOBSA-N	249.336	-0.701	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2CNC(=O)O2)C1	1902518916	ZEWXIOUCHRCQQO-APPZFPTMSA-N	228.057	-0.966	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@@H]1C[C@H]2CO	1907252163	NQEGZNYZSMTXSZ-DAWVFNFOSA-N	239.319	-0.542	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1[C@H]2CCCO[C@@H]12)C(=O)NN	1907545142	TWEPKDLXUDEHGA-GWOFURMSSA-N	241.335	-0.031	50	10	BBGE	
O=C(Nc1ccnc(B(O)O)c1)[C@@H]1C[C@H]1CF	1909487122	FVEKHUFUVYDZAI-POYBYMJQSA-N	238.027	-0.695	50	10	BBGE	
CC[S@](=O)(=NC(=O)C(=O)NN)C(C)C	1913864397	YYPGQUKVVUTUNF-CQSZACIVSA-N	221.282	-0.601	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)C1(CO)CCC1	1915003503	TZOROVOURQYWIH-UHFFFAOYSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)[C@@H](C)CCO	1917042756	HPIYPJGPQUZZFU-XHNCKOQMSA-N	217.313	-0.296	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H](O)[C@H](F)C1	1927866496	KIGHEBRYOGOISK-PRJMDXOYSA-N	219.260	-0.840	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@]2(C)C[C@H]1CO2	1927930261	KGESOKVLCQZHPA-OYNCUSHFSA-N	213.281	-0.382	50	10	BBGE	
CCN(CCOCC(=O)NN)C1CCC1	1928182196	WXYXDYWFSWWHIA-UHFFFAOYSA-N	215.297	-0.133	50	10	BBGE	
O=C(Cn1cncn1)N[C@H]1COCC[C@@H]1Cl	1937145433	IKUPRQQWDTXZAY-YUMQZZPRSA-N	244.682	-0.209	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)Cc1csnn1	1937710125	CYGYHKXLGXXRHD-RNFRBKRXSA-N	243.336	-0.016	50	10	BBGE	
NNC(=O)C1(Cn2cc([N+](=O)[O-])cn2)CC1	1938259918	QJSCYYLDXVYZLE-UHFFFAOYSA-N	225.208	-0.439	50	10	BBGE	
CN(Cc1cnccn1)C[C@@H]1C[C@H]1C(=O)NN	1941092210	HGZLOGDTFLXFOO-WCBMZHEXSA-N	235.291	-0.466	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)CCc1ncccn1	1943084866	KIJVREKMYLRPKA-VIFPVBQESA-N	237.307	-0.281	50	10	BBGE	
NNC(=O)CCCN1CC[C@@H]2OCCO[C@H]2C1	1946407043	MPHCBJRMEBLORP-UWVGGRQHSA-N	243.307	-0.754	50	10	BBGE	
N#C[C@@H](O)[C@@H](N)c1c(O)cc(O)cc1O	1952837195	UOEIUVMMBCNUPZ-VXNVDRBHSA-N	210.189	-0.312	50	10	BBGE	
O=C(NCC(Cl)Cl)C1(CO)CNC1	1954019760	SLXHBKYNNWZJEV-UHFFFAOYSA-N	227.091	-0.512	50	10	BBGE	
NNC(=O)N1CC(C(=O)NC2CCC2)C1	1960786404	KZJKDUXGNSHRTK-UHFFFAOYSA-N	212.253	-0.830	50	10	BBGE	
CN(CCN1CCNCC1)C[C@H](Cl)C#N	1962290246	OLKUKFOWKVUPEO-SNVBAGLBSA-N	230.743	-0.046	50	10	BBGE	
Cn1nnc(C(=O)N2CC([C@H](F)CCl)C2)n1	1979530966	BPLHMPWLVPADTJ-ZCFIWIBFSA-N	247.661	-0.141	50	10	BBGE	
C[C@@H]1C[C@@H]1OCc1c(C(=O)NN)cnn1C	1980592911	KUDRWPDMCYMWGW-MUWHJKNJSA-N	224.264	-0.051	50	10	BBGE	
CN(c1ncncc1B(O)O)C1CCCC1	1981413985	MOVVIVMNNPYNCW-UHFFFAOYSA-N	221.069	-0.465	50	10	BBGE	
Cc1cnn(-c2cc(C)c(B(O)O)cn2)c1	1981454278	GVCYTAFIBSGFSP-UHFFFAOYSA-N	217.037	-0.436	50	10	BBGE	
OB(O)c1csc(-n2cnc(C3CC3)n2)n1	1981465414	MUPGGUIINCWUGT-UHFFFAOYSA-N	236.065	-0.719	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@H](O)[C@H]1C2)C(=O)NN	1983566211	AJLJIRMSJYWJIO-IWSPIJDZSA-N	227.308	-0.542	50	10	BBGE	
CC(C)CN(C)C1CN(CCC(=O)NN)C1	1989655370	NSXSZSTVYLBXOS-UHFFFAOYSA-N	228.340	-0.362	50	10	BBGE	
C=C(CN1CCN2C[C@H](C)C[C@@H]2C1)B(O)O	1992153917	SXIIWMBZJWDDAU-MWLCHTKSSA-N	224.113	-0.419	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@@H](O)C2(CCC2)C1	2000815599	WBZKJAPVEPNIIU-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
COC1(C(=O)Nc2ccccc2B(O)O)CC1	2001712080	CQJMZWFMLNQKJE-UHFFFAOYSA-N	235.048	-0.516	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1cnn2c1CCC2	2002485612	INZZSDNNBGGBAI-QMMMGPOBSA-N	237.307	-0.361	50	10	BBGE	
CN(C)CCCN(C)c1ccc(B(O)O)cn1	2004918568	NEXFQSSKGXXHCR-UHFFFAOYSA-N	237.112	-0.851	50	10	BBGE	
CCN(c1ccncc1B(O)O)[C@H]1CCOC1	2004935908	RPERIHYCHUOPAM-VIFPVBQESA-N	236.080	-0.623	50	10	BBGE	
Cc1ccc(B(O)O)c(N2CC[C@H]3C[C@H]3C2)n1	2004973326	SPZBJSYTXDQIDG-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1cnc(N2CCO[C@H](C)C2)c(B(O)O)c1	2005018002	NBJJYVRBCRFBEJ-SECBINFHSA-N	236.080	-0.705	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)C[C@H]1[C@H]2OCC[C@H]12	2007574266	PAJWFDRMHKVSPP-DBIOUOCHSA-N	241.335	-0.032	50	10	BBGE	
CC(=O)NNC(=O)CN(C)Cc1coc(C)n1	2019210602	NKYFWDGKNUYTOZ-UHFFFAOYSA-N	240.263	-0.418	50	10	BBGE	
CN(C[C@@H]1CCCN1C)c1ccc(B(O)O)cn1	2052473581	UICILSUSLRZXBH-NSHDSACASA-N	249.123	-0.708	50	10	BBGE	
Cc1nc(C)c(B(O)O)c(N2C[C@H]3CCC[C@H]32)n1	2052623289	HHIJSZAGONBYFW-NXEZZACHSA-N	247.107	-0.238	50	10	BBGE	
Cc1cc(N2CC3(CCCO3)C2)ncc1B(O)O	2052626217	UFPBGZSGMMWORQ-UHFFFAOYSA-N	248.091	-0.561	50	10	BBGE	
N#Cc1c(F)cc(OC(F)F)cc1B(O)O	2060263666	UAQJYOFUNLFDMC-UHFFFAOYSA-N	230.938	-0.021	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccccc1B(O)O)C(C)C	2079008501	KIPIVXBDDOBDSK-GFCCVEGCSA-N	245.087	-0.246	50	10	BBGE	
C#C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1	2079009714	KPMJLSVSQZAHLP-JTQLQIEISA-N	243.071	-0.538	50	10	BBGE	
CO[C@H](C)CN(C)Cc1nscc1B(O)O	2211138253	RURBRDHZUJXQCG-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
CN1CC[C@H](COc2nc(B(O)O)cs2)C1	2211767605	FWUNFFKOVVPMQS-ZETCQYMHSA-N	242.109	-0.847	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H](O)C2)CCCC1	2212445028	UBALTBQAMMDIBQ-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
N#CCC1CN(c2ccc(B(O)O)cn2)C1	2212604793	SSKRISLGUQDUPQ-UHFFFAOYSA-N	217.037	-0.889	50	10	BBGE	
CC(C)(CCN)Oc1cc(B(O)O)ccn1	2212605979	MNUWVOVCXDLQOC-UHFFFAOYSA-N	224.069	-0.732	50	10	BBGE	
CO[C@H]1CC[C@@H]1Nc1ccc(B(O)O)cn1	2212606337	SCLAPPSSPSHMPQ-IUCAKERBSA-N	222.053	-0.649	50	10	BBGE	
CN(CC(=O)N(C)C)CC1(C(=O)NN)CCC1	2216494567	BWDOLOUVMAZYOC-UHFFFAOYSA-N	242.323	-0.833	50	10	BBGE	
NNC(=O)C1(CN2C(=O)CCNC2=O)CCC1	2216535280	YMYRQCSXEPCZGX-UHFFFAOYSA-N	240.263	-0.912	50	10	BBGE	
CNC[C@H]1C[C@@H](Oc2ncccc2B(O)O)C1	2217168278	UBXJZPSRADHYJC-DTORHVGOSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]2C2CC2)c1F	2217181745	UOICKFMWAURUPB-VIFPVBQESA-N	236.055	-0.111	50	10	BBGE	
CC(C)(O)[C@H]1CCN1c1cc(B(O)O)ccn1	2217201277	OZWDDQRTQHIMLA-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
OB(O)c1ccnc(N[C@]23CCOC[C@@H]2C3)c1	2217201827	RVVDGTDUVYWYJV-KWQFWETISA-N	234.064	-0.648	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2COC[C@@H]21	2217204310	HZCHXWZFQRISSO-AYMMMOKOSA-N	234.064	-0.934	50	10	BBGE	
OB(O)c1cccc(CN2CC[C@H]3C[C@@]3(O)C2)c1	2220074366	YUTZHRGGWLYDMG-WCQYABFASA-N	247.103	-0.677	50	10	BBGE	
OB(O)c1ccnc(-n2nnc3ccccc32)c1	2223609305	HSQSMSSPRQYGFC-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
Cc1nnc(CN(C)c2cc(B(O)O)ccn2)o1	2223630244	YJUIRJARLBLECX-UHFFFAOYSA-N	248.051	-0.911	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2CC[C@H]3CNC[C@@H]32)nc1	2223636998	CCQJDIAEVADOOF-INTQDDNPSA-N	247.107	-0.829	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(B(O)O)ccn1)C2	2223639672	GHQTVNIGTFLACU-GDPRMGEGSA-N	247.107	-0.923	50	10	BBGE	
Cc1cnc(N[C@@]2(C)CCCNC2)cc1B(O)O	2223650506	NEBLRKWZQKJHPO-LBPRGKRZSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccnc(OC[C@H]2C[C@@]3(CCN3)C2)c1	2223651942	ANNYORJANTYBBT-OTCDBFHCSA-N	248.091	-0.718	50	10	BBGE	
Cc1cnc(N2C[C@H]3C[C@H]2C[C@H]3O)cc1B(O)O	2223653173	PGRKIJPGIILEGC-WCABBAIRSA-N	248.091	-0.971	50	10	BBGE	
OB(O)c1ccc(O[C@@H]2CCN[C@H]3CC[C@@H]32)nc1	2223655227	XWUOOIZSFMRQLU-GARJFASQSA-N	248.091	-0.719	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1CCCCCN1	2223669348	IRJYAWVUIQBFCB-SNVBAGLBSA-N	249.123	-0.295	50	10	BBGE	
CNC[C@@H]1CCCN(c2cc(B(O)O)ccn2)C1	2223672767	CFFAFGUBIVGRRT-JTQLQIEISA-N	249.123	-0.803	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@]23CCCOC3)nc1	2223673486	KRCJQOYMANERSR-GXSJLCMTSA-N	249.079	-0.863	50	10	BBGE	
O=C(F)OC[C@@H]1CO[C@H]2CNC[C@@H]2O1	2241301807	YLIQDZPDMFKEIP-ACZMJKKPSA-N	205.185	-0.152	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1nncs1	2241471453	UVAIPJQWEAMVGU-YFKPBYRVSA-N	215.282	-0.652	50	10	BBGE	
N[C@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](Cl)C1	2241653025	BTRVAGQGNIKNAQ-XAMCCFCMSA-N	218.684	-0.011	50	10	BBGE	
O=C(CBr)N1CC[C@H]1[C@H](O)CO	2241810439	DBSQAJYVRCVUCX-NTSWFWBYSA-N	238.081	-0.665	50	10	BBGE	
Cc1nc(CCNC(=O)C#CB(O)O)cs1	2243349944	STNQBNRJLPXHHQ-UHFFFAOYSA-N	238.077	-0.874	50	10	BBGE	
CCc1nc(C(=O)N2CCC2)c(B(O)O)s1	2243358146	DAEHVQXGQURAKN-UHFFFAOYSA-N	240.093	-0.769	50	10	BBGE	
Cc1ccc(C(=O)NC2CC2)c(B(O)O)c1	2243366376	BHYCWQQQVJRTSF-UHFFFAOYSA-N	219.049	-0.433	50	10	BBGE	
O=C(NC[C@H]1CC[C@@H]1O)C1(B(O)O)CCC1	2243397774	IWSJKRPOJVLSFN-SFYZADRCSA-N	227.069	-0.729	50	10	BBGE	
C=C1CCN(C(=O)c2cc(B(O)O)c[nH]2)C1	2243400274	YOSUXHQNRQLNAG-UHFFFAOYSA-N	220.037	-0.903	50	10	BBGE	
C#CC[C@@H](C)NC(=O)c1ccoc1B(O)O	2243400759	HNULIHTUBVRDNN-SSDOTTSWSA-N	221.021	-0.899	50	10	BBGE	
C[C@@]1(O)CC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2243408941	XZLZNJRXPYTQCA-VXNVDRBHSA-N	227.069	-0.587	50	10	BBGE	
CCCOCCNC(=O)C1(B(O)O)CCC1	2243411091	NQPUXLBXSCUHML-UHFFFAOYSA-N	229.085	-0.074	50	10	BBGE	
CC#CC(=O)N(C)Cc1csc(B(O)O)c1	2243685378	SWFQLXJGLXDMJR-UHFFFAOYSA-N	237.089	-0.590	50	10	BBGE	
COC[C@H](NC(=O)C1(B(O)O)CCC1)C1CC1	2247732495	GKYVMIMYVMYVAN-VIFPVBQESA-N	241.096	-0.075	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1C[C@H]2CCC[C@@H]21	2247743441	DJBKVFGSXJVHKU-SFYZADRCSA-N	235.048	-0.416	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NC[C@@H](C)F)n1	2247750350	IDQZKUKBQOKFBL-ZCFIWIBFSA-N	240.043	-0.842	50	10	BBGE	
O=C(NCCN1C[C@H]2C[C@H]2C1)C1(B(O)O)CC1	2247750522	KSNFOELMZNUMLL-DTORHVGOSA-N	238.096	-0.939	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)N2CCCN2)c1	2247752528	QXMHQBDESYZIQO-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
C[C@H](NC(=O)C1CC(B(O)O)C1)C(C)(C)CO	2247790712	IXQRYWHGLONYFO-UEJVZZJDSA-N	243.112	-0.237	50	10	BBGE	
O=C(N[C@@H](CO)CC1CC1)[C@H]1C[C@H](B(O)O)C1	2247793854	ZWZVALKBYNKBFH-OPRDCNLKSA-N	241.096	-0.483	50	10	BBGE	
C[C@@]12CC[C@@](NC(=O)[C@@H]3C[C@@H]3B(O)O)(CO1)C2	2247805326	BHUMXSZOKVTRHP-IFFSRLJSSA-N	239.080	-0.323	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)C1CC(B(O)O)C1	2247806458	NFQQXOOUCLVSLG-PGQYJIMISA-N	238.096	-0.894	50	10	BBGE	
CON(C(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCOC1	2247808061	SRIDAMKCJHGQPM-CIUDSAMLSA-N	243.068	-0.582	50	10	BBGE	
CCCN(CC(C)(C)O)C(=O)[C@H]1C[C@H]1B(O)O	2247809246	YNTPXMNESJANDM-DTWKUNHWSA-N	243.112	-0.141	50	10	BBGE	
CCCN(O)C(=O)c1ccc(B(O)O)c(F)c1	2247870771	PNZNQWBQIUQUSS-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
CCC[C@H](C)NC(=O)c1cnn(C)c1B(O)O	2247872751	XXNWTGQTANJFLM-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
C[C@]1(NC(=O)C2(B(O)O)CCC2)CCC[C@@H]1O	2247877100	BWRRPJJRUXWKFQ-WPRPVWTQSA-N	241.096	-0.197	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC2(CC(O)C2)C1	2247886393	BFLDTNATIQDHFK-UVCIYIGYSA-N	239.080	-0.777	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(C)c(B(O)O)o1	2247892279	XGVUFQSBPXHBNU-QMMMGPOBSA-N	237.064	-0.038	50	10	BBGE	
CC[C@@H](NC(=O)C#CB(O)O)C(C)(C)C(=O)O	2248579902	XWBVEJVMUBZOQB-SSDOTTSWSA-N	241.052	-0.993	50	10	BBGE	
CC[C@@H](CNC(=O)C1(B(O)O)CC1)CC(=O)O	2248585102	GMULYVWOZPOQKM-SSDOTTSWSA-N	243.068	-0.390	50	10	BBGE	
O=C(NCC=C(F)F)c1ccncc1B(O)O	2248602383	RBYYQLYHWNNCFP-UHFFFAOYSA-N	241.990	-0.728	50	10	BBGE	
CC(C)NC(=O)[C@H](C)N1CCC(B(O)O)CC1	2249378285	MJSIQBLFXZYNID-VIFPVBQESA-N	242.128	-0.162	50	10	BBGE	
Cc1ccnc(NC(=O)c2coc(B(O)O)c2)c1	2255457173	YYHNJULFUJMHHF-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
O=C(NCCc1ccncc1)[C@H]1C[C@H](B(O)O)C1	2255571160	MREYJQDFYKEUJF-XYPYZODXSA-N	248.091	-0.007	50	10	BBGE	
O=C(Nc1cnoc1)c1cccc(B(O)O)c1F	2255720110	PJBRFROBPVTVLM-UHFFFAOYSA-N	249.994	-0.254	50	10	BBGE	
Cc1c(NC(=O)c2ccoc2B(O)O)cnn1C	2255721552	BCTVHJNCTPRXTP-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1CC[C@H]2CC[C@H]21	2255722345	NKXMNAXVABLWQT-PSASIEDQSA-N	246.075	-0.614	50	10	BBGE	
CC1(NC(=O)c2ncc(B(O)O)cn2)CCCC1	2255777145	XQBKQEQFSLBAIZ-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
CN(C(=O)c1cocc1B(O)O)c1ccncn1	2258151969	XHZUHBXGQJPLSH-UHFFFAOYSA-N	247.019	-0.974	50	10	BBGE	
C#C[C@]12C[C@H](CCN1c1ccc(B(O)O)cn1)C2	2260233222	JLXUHFFDNMNZEP-GSJFWJNXSA-N	242.087	-0.247	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1CC[C@H]2COC[C@@H]21	2298165509	GOUHGHLXLDXZFL-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H]2C(=O)NN)C(=O)N1C	2298165993	LLSMJPYRWQAYDS-CIUDSAMLSA-N	240.307	-0.242	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1CC[C@@H]2C[C@]2(O)C1	2298166204	AAULTEQDCJKYHU-WYFGTUCQSA-N	239.319	-0.541	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2CC[C@H]1N2)C1(B(O)O)CC1	2298368057	KIAHADXFDVEIHH-XHNCKOQMSA-N	238.096	-0.750	50	10	BBGE	
CO[C@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2298371270	FXYDQTFESMGMRN-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C(=O)[C@@H]2CCCC[C@H]21	2298376067	GNJQZCNPOKTKAK-BZNPZCIMSA-N	237.064	-0.223	50	10	BBGE	
CN1CCC[C@@H]2CCN(CCC(=O)NN)C[C@@H]21	2299140165	PRTZNBIDDCUZAP-MNOVXSKESA-N	240.351	-0.218	50	10	BBGE	
C[C@H]1C[C@@H]1CN(C)c1cc(B(O)O)c(F)cn1	2303847345	HVQNYVSZTPNNHL-JGVFFNPUSA-N	238.071	-0.007	50	10	BBGE	
CCc1cnn(CCN2CC[C@H](B(O)O)C2)c1	2305014813	LSYXBAUTKMQDEO-NSHDSACASA-N	237.112	-0.006	50	10	BBGE	
O=Cc1ccc(N2CC=C[C@H]2CF)cc1B(O)O	2317313173	SPKGCMLVDIAAOL-NSHDSACASA-N	249.050	-0.107	50	10	BBGE	
C=CC[C@@H](CO)Nc1ccc(C=O)c(B(O)O)c1	2317316539	IAJDPCPKGLJZLI-NSHDSACASA-N	249.075	-0.472	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)OC(C)(C)C	6442581	UWXOTGWEZAXQAG-RXMQYKEDSA-N	203.242	-0.111	50	10	BBGE	
O=C(CCCCl)NCC(=O)N1CCOCC1	41696222	AIMRXGWCJDNHSU-UHFFFAOYSA-N	248.710	-0.020	50	10	BBGE	
N[C@H](CO)CC(Br)C[C@H](N)CO	44467196	YFSZBYNOFOTJRK-BQBZGAKWSA-N	241.129	-0.831	50	10	BBGE	
CC1=C(C=O)CN2NC(C(=O)O)=NC2=N1	82377418	QNMDCYIGAAJRBG-UHFFFAOYSA-N	208.177	-0.868	50	10	BBGE	
COC1CCN([C@H](C)CC(=O)NN)CC1	82467399	HBYVPPRTMMORRP-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
COCCN(C)[C@@H](C)[C@@H](C)C(=O)NN	86313629	OIACNUCRLJNEAT-SFYZADRCSA-N	203.286	-0.421	50	10	BBGE	
O=C(CCCl)N1CCOC[C@H]1CO	159031255	GCSHWHAMFWFQHU-SSDOTTSWSA-N	207.657	-0.165	50	10	BBGE	
O=C([C@H]1COCCO1)N1CCOC[C@@H]1CCl	159438152	SLZJAASBKSLBTR-DTWKUNHWSA-N	249.694	-0.132	50	10	BBGE	
Cc1ccc(B(O)O)cc1S(C)(=O)=O	204497979	UARIPWIKRYIQMZ-UHFFFAOYSA-N	214.051	-0.922	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)CC[C@@H](C)O	220008536	PSLKAXGLMBVRHY-BDAKNGLRSA-N	217.313	-0.296	50	10	BBGE	
Cn1cc(COc2ccccc2B(O)O)nn1	236099076	JBMGLWFPUCCTEF-UHFFFAOYSA-N	233.036	-0.926	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)CCN1C	251784507	NCULLKQDNNDMHM-RKDXNWHRSA-N	214.313	-0.609	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCCC[C@H]1C(N)=O	252599662	KZIHNXQIVAZDBL-YIZRAAEISA-N	242.323	-0.659	50	10	BBGE	
CN(C)NC(=O)[C@H](N)Cc1ccncc1	258966044	CQMATDLAQZQLKJ-SECBINFHSA-N	208.265	-0.456	50	10	BBGE	
N#C[C@@H](O)c1ccc(N2CC(=O)NCC2=O)cc1	260618154	ODQDGBHLVJHEMX-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
CCn1ncc(C(=O)NNC(=O)C2CCC2)n1	293956427	ZQBJWAPUQLUQTR-UHFFFAOYSA-N	237.263	-0.141	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)[C@@H]1CCNC1	309365183	OANOHSSKUPVCBC-SECBINFHSA-N	219.049	-0.841	50	10	BBGE	
COC1CN(Cc2ccc(B(O)O)cc2)C1	309403086	UNPVUXVQZIJFTL-UHFFFAOYSA-N	221.065	-0.803	50	10	BBGE	
Nc1nc(CCCl)nc(NC[C@H](O)CO)n1	309442699	OLNMWJCFRKMJNU-YFKPBYRVSA-N	247.686	-1.000	50	10	BBGE	
C[C@H]1O[C@@H](CN(C)C)CC1=NNC(N)=O	379714210	JTMUOEXHTKFACI-RNFRBKRXSA-N	214.269	-0.250	50	10	BBGE	
O=[N+]([O-])c1ccc2cc(B(O)O)cnc2c1	382740873	MQMPMCHDJJBHGM-UHFFFAOYSA-N	217.977	-0.177	50	10	BBGE	
COCC1(O)CN(CCOCCCl)C1	383971757	IXEZSIGNCQQSFM-UHFFFAOYSA-N	223.700	-0.065	50	10	BBGE	
O=C(CCCl)N[C@@]1(CO)CCOC1	393898162	BHVPNFBLLUMBQP-MRVPVSSYSA-N	207.657	-0.117	50	10	BBGE	
O=C(CCCl)c1cccc(B(O)O)c1CO	396039607	KBADHIVTHWXKGW-UHFFFAOYSA-N	242.467	-0.330	50	10	BBGE	
OCc1csc2c(O)c(B(O)O)ccc12	396336729	GNCORKUDUIPTTJ-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
O=C(O)c1sc2c(O)cccc2c1B(O)O	396388506	UJIRNAAOLYZIED-UHFFFAOYSA-N	238.029	-0.015	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1CC1	399718984	GIPKBDIAEMKVKX-RQJHMYQMSA-N	215.228	-0.675	50	10	BBGE	
CSCC(=O)NCc1sccc1B(O)O	404943573	AKVUSXIIQSHMSA-UHFFFAOYSA-N	245.134	-0.593	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1ccnc(B(O)O)c1	405021574	FQSMFLPGZNSQIR-XPUUQOCRSA-N	220.037	-0.644	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)n[nH]1	405031237	PRDLLPMLRDLAFM-UHFFFAOYSA-N	245.047	-0.350	50	10	BBGE	
C[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1F	584939963	PFPRAOICYGRIRN-QUBYGPBYSA-N	237.039	-0.356	50	10	BBGE	
NNC(=O)C(=O)N1CCC[C@H]1C1CCC1	688852329	PQWGKBAYFSIDLF-QMMMGPOBSA-N	211.265	-0.233	50	10	BBGE	
CC(C)(C)[C@@H]1C[C@H]1CNC(=O)C(=O)NN	699849783	MPNDDZWLHRTKEF-NKWVEPMBSA-N	213.281	-0.225	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2c1cncnc1	703435401	AUBWIUGKJCPSQK-HTQZYQBOSA-N	219.200	-0.103	50	10	BBGE	
C[C@H](CN(C)CC1(C)COC1)C(=O)NN	705802766	SCABBQHDDZKLQT-MRVPVSSYSA-N	215.297	-0.419	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@@H](CO)[C@@H](C)C1	708140150	VNCJWZNDNUCPPH-GARJFASQSA-N	243.351	-0.049	50	10	BBGE	
CC(=O)NNC(=O)CN1CCCCC[C@H](N)C1	709010023	GPLMCXJRPSOXKW-JTQLQIEISA-N	242.323	-0.643	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@@H]2C1=O)C(=O)NN	715705882	YEOSLEVHBLSCDQ-RQJHMYQMSA-N	211.265	-0.519	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C2CCC1(CO)CC2	723022108	CYURFIGJFBCPLT-YZRBJQDESA-N	241.335	-0.010	50	10	BBGE	
NNC(=O)c1nc(CN2C[C@@H]3C[C@H]3C2)ns1	724342218	GZMHBMPDIBDCIQ-WDSKDSINSA-N	239.304	-0.407	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2OCC[C@@H]2C1	724815927	IYUOTLKOWMLLST-AEJSXWLSSA-N	227.308	-0.134	50	10	BBGE	
CC(=O)NC[C]1CC(B(O)O)=CS1	725596112	PUKAESLJBOAEHE-UHFFFAOYSA-N	200.048	-0.313	50	10	BBGE	
O=C1CC([C@H]2CCS(=O)(=O)C2)CC(=O)O1	1536206435	GSALSMDLNURBAM-LURJTMIESA-N	232.257	-0.099	50	10	BBGE	
O=C(CO)NNC(=O)c1cccnc1C(F)F	1648686384	PFFODYOXNODGJP-UHFFFAOYSA-N	245.185	-0.228	50	10	BBGE	
NCC1(O)CN(C[C@@H]2C[C@H]2Br)C1	1877446535	MUXXIEFVLYMHGD-NKWVEPMBSA-N	235.125	-0.225	50	10	BBGE	
C=C(CN1CCSC[C@H]1C)B(O)O	1883732148	AFLWTFUUXFVWRS-MRVPVSSYSA-N	201.100	-0.008	50	10	BBGE	
CCOC(=O)c1nc(C)c(B(O)O)s1	1885952813	RGKVGRLGLYDEFQ-UHFFFAOYSA-N	215.039	-0.692	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N[C@@H]1CCONC1	1893498101	PFDIAULUXNJWAL-UGQQDIOTSA-N	218.640	-0.282	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)[C@@H]1C	1895084185	MCMFENLGKXYWGR-LURQLKTLSA-N	225.292	-0.131	50	10	BBGE	
CC1CN(C[C@@H]2CCC[C@@H](C(=O)NN)O2)C1	1896930941	YKMBNNHWCWPTPC-UWVGGRQHSA-N	227.308	-0.134	50	10	BBGE	
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCC=CB(O)O	1897135260	BADDHEOXTLJJRV-RNFRBKRXSA-N	233.023	-0.038	50	10	BBGE	
O=Cc1ccc(NN2CCC2)cc1B(O)O	1901249247	RJWLIGVHKUUBAK-UHFFFAOYSA-N	220.037	-0.789	50	10	BBGE	
CC(C)[C@H](CO)N(C)C(=O)C1(B(O)O)CC1	1902134607	LSESXRJXGHLSRR-QMMMGPOBSA-N	229.085	-0.531	50	10	BBGE	
COC[C@@H](C)COCc1nc(B(O)O)cs1	1902654631	VTHABKFSVBRJOJ-SSDOTTSWSA-N	245.109	-0.378	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCSC1	1902723714	WBDKXLOSGVMQFV-UHFFFAOYSA-N	241.077	-0.586	50	10	BBGE	
C[C@H]1C[C@@H](OCCC(=O)NN)CCO1	1904779757	GEVRXSPKPLHHFT-YUMQZZPRSA-N	202.254	-0.050	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1CC[C@H]2[C@@H]1C[C@H]2O	1907855868	PJYPDJZEYLMQAC-QEYWKRMJSA-N	241.335	-0.154	50	10	BBGE	
O=C(Nc1ncccc1B(O)O)C1C[C@H]2C[C@@H]2C1	1913596021	PHQOOTUYMBSIEQ-HTQZYQBOSA-N	246.075	-0.254	50	10	BBGE	
C[C@@H](CCO)N(C)C[C@@H]1C[C@H]1C(=O)NN	1916510242	DULKPMWSHNHHTK-XHNCKOQMSA-N	215.297	-0.685	50	10	BBGE	
Cn1c(N2CC=C(C#N)CC2)cc(=O)n(C)c1=O	1917062902	KEMPDKOOHMHJCB-UHFFFAOYSA-N	246.270	-0.256	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2C[C@@H]2C1=O	1927913233	HBWRXOCMZHMNCL-XUTVFYLZSA-N	209.249	-0.909	50	10	BBGE	
CN(C)c1nc(CNC(=O)NN)cs1	1930173323	DYHZOLARFTXYRK-UHFFFAOYSA-N	215.282	-0.118	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@@H](O)C2(CC2)C1	1930235983	UDYWEPSWTHJZQN-JGVFFNPUSA-N	213.281	-0.788	50	10	BBGE	
CN1CCC[C@@]1(C)C(=O)NNCCO	1934072855	AMRQYWSAANCYBM-VIFPVBQESA-N	201.270	-0.916	50	10	BBGE	
NNC(=O)c1cncc(Cn2cncn2)c1	1935731632	VQDVYADVTBDNNX-UHFFFAOYSA-N	218.220	-0.675	50	10	BBGE	
NNC(=O)C(F)(F)CN1[C@H]2CC[C@H]1COC2	1935934765	FKZGAXPFHGJAEI-BQBZGAKWSA-N	235.234	-0.525	50	10	BBGE	
CO[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@H]1F	1937156670	ATHQLOIAJJBQMT-RBXMUDONSA-N	231.271	-0.719	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)[C@H](C)CCC(=O)NN	1938362575	UQSABBFNUWFGJM-SFYZADRCSA-N	230.312	-0.659	50	10	BBGE	
CO[C@@H]1CN(CCOCC(=O)NN)CC1(C)C	1944736616	PCDTXHOOIBTCKA-SECBINFHSA-N	245.323	-0.650	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CC[C@H]1CO)CC2	1948554912	VXUBLIKSUNMWFZ-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CN(C)[C@H]1CN(C(=O)C(=O)NN)C2(CCC2)C1	1949698144	XPEIGCBGEZENQX-MRVPVSSYSA-N	240.307	-0.939	50	10	BBGE	
COc1cc([C@H](N)[C@H](O)C#N)c(OC)nn1	1953030354	BRVBPENFSAGJLD-SVRRBLITSA-N	224.220	-0.622	50	10	BBGE	
Cn1nnc(CN[C@@H]2C[C@H]2CCl)n1	1954308219	OGBJKDGCIASTOK-NTSWFWBYSA-N	201.661	-0.073	50	10	BBGE	
CC[C@@H](Cl)C(=O)N1CC[C@](O)(C(N)=O)C1	1958797542	JDCKINBPTURFAA-HZGVNTEJSA-N	234.683	-0.548	50	10	BBGE	
CC1(C)CN(c2ncncc2B(O)O)C1	1961689963	GQPAPCISCWDYEP-UHFFFAOYSA-N	207.042	-0.997	50	10	BBGE	
CC1(C)CCN1c1ncc(B(O)O)cn1	1961690138	HJNIZAPYZLVKRJ-UHFFFAOYSA-N	207.042	-0.855	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)CCF)n1	1961705647	GCAHAWRPUGBFKG-UHFFFAOYSA-N	212.033	-0.524	50	10	BBGE	
NNC(=O)N1C[C@H](O)C2(CCOCC2)C1	1962243017	KREVYWHQYQMQNJ-ZETCQYMHSA-N	215.253	-0.957	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CC[C@H](O)CC1	1976642679	XCMQROFBTRVQFO-OPRDCNLKSA-N	229.324	-0.010	50	10	BBGE	
CCn1ncnc1CN(C)[C@@H](C)C(=O)NN	1980040630	XIKSHQHTDULLLP-ZETCQYMHSA-N	226.284	-0.892	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](O)CC12CC2	1980719454	WVHDMNIDXPGWMZ-BDAKNGLRSA-N	227.308	-0.256	50	10	BBGE	
OB(O)c1cc(F)ccc1OCC1COC1	1980866122	AGGAMCXUVRWSQM-UHFFFAOYSA-N	226.012	-0.469	50	10	BBGE	
C[C@@H]1COC[C@H]1N(C)c1nc(B(O)O)cs1	1981468862	JEWNBVHBOLYJCS-RNFRBKRXSA-N	242.109	-0.706	50	10	BBGE	
NNC(=O)CCCCCN1CC(F)(CO)C1	1981512149	NZOHEVMGOXLKGB-UHFFFAOYSA-N	233.287	-0.447	50	10	BBGE	
N#CCN(CC#N)CCC(F)(F)C(=O)NN	1984129052	YGTDIOLJWFPUJU-UHFFFAOYSA-N	231.206	-0.649	50	10	BBGE	
CNCCCSC[C@@H]1CC[C@@H](C(=O)NN)O1	1990229427	GOUFGJPLWBFJIR-IUCAKERBSA-N	247.364	-0.133	50	10	BBGE	
O=C(CCl)NC(=O)NCC[C@@H]1CCNC1=O	1991287460	UIILXRAQIRECMB-LURJTMIESA-N	247.682	-0.423	50	10	BBGE	
NNC(=O)CN1C[C@H]2CCC[C@@](CO)(C2)C1	1992825793	AZWSWWBVSDRTDM-GXSJLCMTSA-N	227.308	-0.539	50	10	BBGE	
OB(O)c1cnccc1O[C@@H]1CC[C@@H]2C[C@H]21	1995197569	FEWQHCOFFMGHBX-NQMVMOMDSA-N	219.049	-0.061	50	10	BBGE	
C[C@@H](C(=O)NN)N1[C@H]2CCC[C@H]1CC(=O)NC2	1997360846	NJDQKXBWVMLCJX-CIUDSAMLSA-N	240.307	-0.892	50	10	BBGE	
CCN(CC)CCN(C)C[C@@H]1C[C@@H]1C(=O)NN	2003814913	ZDNZHVDADPWQRR-QWRGUYRKSA-N	242.367	-0.114	50	10	BBGE	
Cc1nc(O[C@H]2CO[C@@H](C)C2)ccc1B(O)O	2004925446	QJAJPOCOUNHHJX-IONNQARKSA-N	237.064	-0.374	50	10	BBGE	
Cc1ncc(B(O)O)c(OC[C@H](C)C2CC2)n1	2004928977	HRPQPASIAMZAFA-ZETCQYMHSA-N	236.080	-0.110	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CC(N(C)C2CC2)C1	2005180663	VFNCGZWKCZBLEM-NSHDSACASA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1CN([C@H](C)CC(=O)NN)C(C)(C)C(=O)N1	2013376216	PBOUNUUDECBRMS-HTQZYQBOSA-N	242.323	-0.646	50	10	BBGE	
CC(=O)NNC(=O)CO[C@H]1CC[C@@H]1CC(=O)O	2013850204	DZWPYMCAEJRPKT-SFYZADRCSA-N	244.247	-0.576	50	10	BBGE	
CN(CCC(F)F)c1ncc(F)cc1B(O)O	2014927893	FLQRGRHTEVQZLT-UHFFFAOYSA-N	248.013	-0.008	50	10	BBGE	
C[C@]1(C(=O)N[C@@H]2CCC=C2B(O)O)CCOC1	2020067662	JXXPKYGMGDYTCQ-KOLCDFICSA-N	239.080	-0.370	50	10	BBGE	
C[C@@]1(C(=O)N[C@@H]2CCC=C2B(O)O)CCOC1	2020067663	JXXPKYGMGDYTCQ-MWLCHTKSSA-N	239.080	-0.370	50	10	BBGE	
CCC[C@@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	2022545482	YRGIFAFONGECRU-NXEZZACHSA-N	235.092	-0.036	50	10	BBGE	
NNC(=O)CCCN1CC[C@H](OCCCO)C1	2026097115	UVDPAJGCVIOAHC-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
Cc1cc(N2C[C@H]3CCO[C@H]3C2)ncc1B(O)O	2052623273	HBPXJNLTZBEZII-KOLCDFICSA-N	248.091	-0.705	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1	2058160933	OUXDQRHJFRHTMB-MXWKQRLJSA-N	247.103	-0.036	50	10	BBGE	
CCOc1c(C#N)cc(F)cc1B(O)O	2060169029	AWTLJLKQKMPMFI-UHFFFAOYSA-N	208.985	-0.224	50	10	BBGE	
Cc1cc(B(O)O)cnc1N1C[C@H]2COCC[C@H]21	2073044459	WYVKANPGXXQCQV-GXSJLCMTSA-N	248.091	-0.705	50	10	BBGE	
CC(C)[C@H]1C[C@@H]1CN(C)c1ncc(B(O)O)cn1	2079601622	HCNXWLSUHKJCAC-MWLCHTKSSA-N	249.123	-0.115	50	10	BBGE	
C#CCCC(=O)NCCc1cccc(B(O)O)c1	2084673663	UAYQXVCKQPUBES-UHFFFAOYSA-N	245.087	-0.562	50	10	BBGE	
C[C@H]1COC[C@@H]1OCc1cc(B(O)O)cs1	2211072708	PLNOLKZOFORJPA-XVKPBYJWSA-N	242.105	-0.021	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C(=O)CCC1=O	2211839547	VZLBGVGOBOUCCN-BQBZGAKWSA-N	225.248	-0.849	50	10	BBGE	
C[C@@H]1C[C@@H](Nc2cc(B(O)O)ccn2)CO1	2212601557	POZUSTVKNWEFPJ-VXNVDRBHSA-N	222.053	-0.649	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1C[C@@H]2C[C@@H]2C1	2212611341	ZLXWQYOEQGUXMJ-BRPSZJMVSA-N	218.065	-0.028	50	10	BBGE	
CS[C@H](C)CCN=c1ccc(B(O)O)c[nH]1	2212613297	UBQMLCCIOKMFRF-MRVPVSSYSA-N	240.137	-0.263	50	10	BBGE	
O=C(Nc1ccc(Cl)c(B(O)O)n1)C1CC1	2212756316	AULZQGOFSUCHMG-UHFFFAOYSA-N	240.455	-0.237	50	10	BBGE	
CN(CC1(CO)CC1)CC1(C(=O)NN)CCC1	2216491159	QDOIJKIRKXLPIQ-UHFFFAOYSA-N	241.335	-0.149	50	10	BBGE	
C[C@]1(CO)CCN(CC2(C(=O)NN)CCC2)C1	2216533193	YCJCHAPCLUKZAT-NSHDSACASA-N	241.335	-0.149	50	10	BBGE	
NNC(=O)C1(CN2CC[C@@H]3[C@@H](O)C[C@H]32)CCC1	2216535262	YIPSLGDRDXHVGP-AEJSXWLSSA-N	239.319	-0.398	50	10	BBGE	
COC[C@]12CCC[C@H]1CN(C(=O)C(=O)NN)C2	2217080152	GESRIPNCKDWXGO-GZMMTYOYSA-N	241.291	-0.749	50	10	BBGE	
CC[C@@H](Oc1nccc(B(O)O)c1F)[C@H](C)N	2217187310	WFXLJFFPMZDQKM-POYBYMJQSA-N	242.059	-0.595	50	10	BBGE	
CC[C@H](N)[C@@H](CC)Oc1ncc(B(O)O)cn1	2217190382	CUKCBBIBXPKFHS-DTWKUNHWSA-N	239.084	-0.949	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)ccn1)[C@H]1CCNC1	2217196014	PGOCDKMTNRQFCF-IUCAKERBSA-N	236.080	-0.862	50	10	BBGE	
O=c1ncc(B(O)O)cn1C[C@H]1CC[C@@H](F)C1	2217408655	IPVSSXXDTPKADD-IONNQARKSA-N	240.043	-0.939	50	10	BBGE	
OC[C@]12C[C@@H]1CC[C@@H]2Nc1ncccc1B(O)O	2223632371	IVINWRHIESIDMZ-PTOFAABTSA-N	248.091	-0.666	50	10	BBGE	
Cc1cnc(NCC2(N(C)C)CC2)cc1B(O)O	2223650458	MNJZAUQIDZUTSP-UHFFFAOYSA-N	249.123	-0.424	50	10	BBGE	
CCc1ncncc1Nc1ncc(B(O)O)cn1	2223674653	MPMKFQMPBRKXJI-UHFFFAOYSA-N	245.051	-0.748	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1CCNC2(CC2)C1	2223676261	YXPYEHYQJLLGOF-SECBINFHSA-N	247.107	-0.542	50	10	BBGE	
O=S(=O)(N1CC(F)C1)N1CC(Cl)C1	2241348614	UNXCMFSDTOYQAP-UHFFFAOYSA-N	228.676	-0.192	50	10	BBGE	
Cn1c(=O)cc(O)n(CCCl)c1=O	2241381424	UMNQJXBLEHZSPN-UHFFFAOYSA-N	204.613	-0.509	50	10	BBGE	
CO[C@@H](C)CNC(=O)C1(B(O)O)CC1	2241480362	HIAABFCHIFBVBM-LURJTMIESA-N	201.031	-0.856	50	10	BBGE	
CCOC(=O)c1nc(C)sc1B(O)O	2241494590	ZTSHHUMEPSMJJC-UHFFFAOYSA-N	215.039	-0.692	50	10	BBGE	
NCC[C@@H](O)C(=O)NC[C@@H]1C[C@@H]1Cl	2241999808	NCBYODLQCBWPIY-LYFYHCNISA-N	206.673	-0.560	50	10	BBGE	
CC[C@@H](Cl)C(=O)n1c(=O)cc(O)n(C)c1=O	2243059114	NRELNMQYXCMTFB-RXMQYKEDSA-N	246.650	-0.090	50	10	BBGE	
COC1(CCNC(=O)C#CB(O)O)CCC1	2243356730	MEIRIZTZHWNYIU-UHFFFAOYSA-N	225.053	-0.923	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1sccc1B(O)O	2243357403	WIVAAGHHEVOMNM-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CSCCCNC(=O)c1ccc(B(O)O)o1	2243401008	KYBCUWUZGFSGAP-UHFFFAOYSA-N	243.093	-0.558	50	10	BBGE	
C=C[C@H]1CN(C(=O)C2(B(O)O)CC2)CCO1	2243408589	QABMLFUEBCRZGM-QMMMGPOBSA-N	225.053	-0.593	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1nscc1B(O)O	2243411697	YRDYIISKHDWWAY-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
C[C@@]1(O)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2243425643	AJSAESLUCAQGJP-NQMVMOMDSA-N	227.069	-0.777	50	10	BBGE	
CO[C@H](CNC(=O)[C@H]1C[C@@H]1B(O)O)C(C)C	2243427138	QYGGSCWEPJKBTI-XHNCKOQMSA-N	229.085	-0.364	50	10	BBGE	
O=C(NCC=CB(O)O)c1cccnc1F	2243665182	PYMRBRKSHZBULM-UHFFFAOYSA-N	224.000	-0.481	50	10	BBGE	
C=CC(C)(C)NC(=O)c1cocc1B(O)O	2244213012	YILXDLOAZIWPPU-UHFFFAOYSA-N	223.037	-0.346	50	10	BBGE	
C=CC1CN(Cc2cccc(B(O)O)c2)C1	2245434357	BRMXGCFEWGAZPN-UHFFFAOYSA-N	217.077	-0.016	50	10	BBGE	
CCC[C@H](C)NC(=O)c1c(B(O)O)cnn1C	2247748726	IFZUYCGINHIYOE-ZETCQYMHSA-N	239.084	-0.982	50	10	BBGE	
O=C(NCCc1cocn1)C1(B(O)O)CCC1	2247751099	SNPUWRSCAADOFJ-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
COC1CC2(C1)C[C@@H]2NC(=O)C1(B(O)O)CC1	2247751277	VUSBGANPDMDCAF-ZCUBBSJVSA-N	239.080	-0.323	50	10	BBGE	
CN(C)[C@@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247751653	ZYURMSHPGSLMOO-SECBINFHSA-N	240.112	-0.454	50	10	BBGE	
Cc1cc(B(O)O)cc(C(=O)NCC2CC2)c1	2247751741	BLYQJTYURKKJPB-UHFFFAOYSA-N	233.076	-0.185	50	10	BBGE	
CC1(NC(=O)C2(B(O)O)CCC2)CCNCC1	2247755364	JKVRBSDFHABEFO-UHFFFAOYSA-N	240.112	-0.358	50	10	BBGE	
C[C@@H]1OCC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247786819	GZWFFGOFOSPZBS-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
O=C(NC[C@]1(F)CCCNC1)[C@H]1C[C@@H]1B(O)O	2247793476	XZKOBRAUKDASQO-NRPADANISA-N	244.075	-0.943	50	10	BBGE	
C[C@H](Cn1cccn1)NC(=O)[C@@H]1C[C@H]1B(O)O	2247803360	ARTVWPZCRPFVKC-IWSPIJDZSA-N	237.068	-0.749	50	10	BBGE	
O=C(c1ccsc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2247872351	QWSVIVICPPJVKN-YUMQZZPRSA-N	249.100	-0.172	50	10	BBGE	
O=C(N1CCOC[C@@H]1C(F)F)C1(B(O)O)CC1	2247873847	MQCBDLRALMHXSL-ZCFIWIBFSA-N	249.022	-0.514	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)N2CCCN2)c1	2247875439	YORKKBGPPMISLU-UHFFFAOYSA-N	234.064	-0.975	50	10	BBGE	
CC[C@@H](CN(C)C)NC(=O)C1(B(O)O)CCC1	2247878698	PGSAAFNTXUSWHZ-VIFPVBQESA-N	242.128	-0.160	50	10	BBGE	
O=C(N1CCCC[C@@H]1CCO)C1(B(O)O)CC1	2247879561	UQWOBTYDXOYNID-SECBINFHSA-N	241.096	-0.243	50	10	BBGE	
O=C(N1CCC[C@@H]2COC[C@H]21)C1(B(O)O)CC1	2247880011	ZVEYSPUWMOIQLJ-RKDXNWHRSA-N	239.080	-0.369	50	10	BBGE	
C#C[C@]1(C)COCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247886355	AWTWDJBPCVVSAG-FXPVBKGRSA-N	237.064	-0.900	50	10	BBGE	
C=C[C@H](C)ONC(=O)c1cc(C)c(B(O)O)o1	2247890894	DGDVHCOISFMODD-ZETCQYMHSA-N	239.036	-0.496	50	10	BBGE	
C=CCOCCN(C)C(=O)C1CC(B(O)O)C1	2247904203	OWAIPRURNICEEO-UHFFFAOYSA-N	241.096	-0.100	50	10	BBGE	
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247970681	AHYZKVHOIDBWDI-XCBNKYQSSA-N	234.064	-0.104	50	10	BBGE	
O=C(O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@@H]1B(O)O	2248576957	KMQFKCKBMYXUIW-CSMHCCOUSA-N	241.052	-0.781	50	10	BBGE	
C#CC1(NC(=O)c2cc(C)c(B(O)O)o2)CC1	2249995009	LHQJJTPUYFCTPQ-UHFFFAOYSA-N	233.032	-0.837	50	10	BBGE	
Cn1ncc2c1CN(C(=O)C1(B(O)O)CCC1)C2	2255454856	SQRXXBYTRONGMD-UHFFFAOYSA-N	249.079	-0.341	50	10	BBGE	
O=C(N[C@H]1C=CCCC1)c1ccc(B(O)O)cn1	2255528591	BFDYIKMCMGPETM-JTQLQIEISA-N	246.075	-0.400	50	10	BBGE	
O=C(Nc1ccccc1)c1ncncc1B(O)O	2255533081	XTUQBVKIBZKJHG-UHFFFAOYSA-N	243.031	-0.591	50	10	BBGE	
CC#CC(C)(C)NC(=O)c1cncc(B(O)O)c1	2255730333	KRGZRTWNLWOOSH-UHFFFAOYSA-N	246.075	-0.707	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1occc1B(O)O	2255744824	LNIMKYBZEGKAPB-KHQFGBGNSA-N	249.075	-0.122	50	10	BBGE	
O=C(Nc1ncccc1O)c1occc1B(O)O	2256919211	WZLHADXHEYOSKS-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)NC1[C@@H](C)[C@@H]1C	2257488101	UBSQCMHNUUXLAV-YUMQZZPRSA-N	248.091	-0.546	50	10	BBGE	
CC[C@@H]1C[C@@H]1NC(=O)c1ncc(B(O)O)cc1C	2257491758	PUIQXORNQYUNTN-SCZZXKLOSA-N	248.091	-0.402	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)co1	2258128904	RIGPQZUNIOEKEI-IONNQARKSA-N	248.047	-0.619	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1C1CC1)c1cocc1B(O)O	2258131749	YMXGKSIGQBOMEI-IUCAKERBSA-N	249.075	-0.265	50	10	BBGE	
C=CCN(OC)C(=O)c1ccc(C)cc1B(O)O	2258277946	AVVHJHOGDOXOGX-UHFFFAOYSA-N	249.075	-0.136	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1[C@H]2CC[C@@H]1CNC2	2298370123	PHNMRNSQBIUVBV-HKBCETJISA-N	238.096	-0.798	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1[C@H]2CC[C@H](C2)[C@@H]1CO	2298370194	RGFNPQDTCSJQCQ-ZOZBQHSOSA-N	239.080	-0.779	50	10	BBGE	
O=C(NC[C@H]1CCNC12CC2)[C@@H]1C[C@H]1B(O)O	2298376176	LQXUUSUGUTYXOL-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CCCN1CCOCCO1	2300376453	YMTLWRAWIPFVCC-UWVGGRQHSA-N	243.307	-0.344	50	10	BBGE	
NNC(=O)CCCCCCN1C[C@H](O)[C@H](F)C1	2300624570	CSMARUPEUVNRNR-ZJUUUORDSA-N	247.314	-0.059	50	10	BBGE	
Cc1cnccc1C[C@@H](C)NC(=O)C(=O)NN	2302148190	ROJRQSNNGJDFNH-MRVPVSSYSA-N	236.275	-0.573	50	10	BBGE	
C[C@H]1[C@H](Oc2ncc(B(O)O)cn2)CC1(C)C	2302159887	QGMNFMNTVFZAAT-IONNQARKSA-N	236.080	-0.030	50	10	BBGE	
CC[C@](C)(CN1CC(N2CCC2)C1)C(=O)NN	2303425416	CFWQMWRJXUWLSY-GFCCVEGCSA-N	240.351	-0.218	50	10	BBGE	
OB(O)c1cc(=NCC2CC=CC2)[nH]cc1F	2303835587	ZBPWFVRUOQPELQ-UHFFFAOYSA-N	236.055	-0.300	50	10	BBGE	
Cc1ccc(B(O)O)cc1COC[C@@H]1CCN1C	2313838864	VYJNXBNUUWKJSK-ZDUSSCGKSA-N	249.119	-0.104	50	10	BBGE	
N#CCCC1CN(C(=O)c2occc2B(O)O)C1	2316039096	MWISFBKXQAMPPT-UHFFFAOYSA-N	248.047	-0.665	50	10	BBGE	
CC[C@H](N)[C@H](C)Oc1ccc(B(O)O)cc1C#N	2317152663	DTJZLMUHTOEZDM-KWQFWETISA-N	248.091	-0.257	50	10	BBGE	
C[C@H]1NCC[C@@H]1Nc1ccc(C=O)c(B(O)O)c1	2317349914	KVACARQBVKJEGZ-PELKAZGASA-N	248.091	-0.659	50	10	BBGE	
C[C@@H](NC(=O)C(=O)NN)c1nccs1	70734360	IFHFEMYDJUVYBQ-SCSAIBSYSA-N	214.250	-0.690	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC(=O)CC1	82469033	QVFYMCZMYPGLOA-VIFPVBQESA-N	213.281	-0.334	50	10	BBGE	
NNC(=O)CN1CC[C@@H](N2CCCCC2)C1	82469298	ZMFSYFFGNYJYAP-SNVBAGLBSA-N	226.324	-0.464	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C1CCCC1	82470090	YACDCARWMNGOSR-SNVBAGLBSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(N)=S)[C@@H]1C	83590841	YFRYFMMBCVOJDI-XZBKPIIZSA-N	231.321	-0.090	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@H](CO)C1	86313262	MERJDOJWOFMWKZ-GUBZILKMSA-N	229.324	-0.295	50	10	BBGE	
NNC(=O)c1coc(CN2CC[C@H](CO)C2)c1	163067881	KCXVUYAZXKOFFD-QMMMGPOBSA-N	239.275	-0.303	50	10	BBGE	
CC(C)(C)NC(=O)CCNC(=O)NN	163535818	UGGHXOFGFOZRMW-UHFFFAOYSA-N	202.258	-0.536	50	10	BBGE	
NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CCl	168989523	VVZYUTHLZPRBJG-UHNVWZDZSA-N	208.620	-0.351	50	10	BBGE	
Cn1cnnc1SCc1ccccc1B(O)O	198992208	UDSNNFRUNOSHIS-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
CC(=O)N[C@H](C)c1cccc(B(O)O)c1	202185620	VDNSPDACJGIZCM-SSDOTTSWSA-N	207.038	-0.437	50	10	BBGE	
CC(=O)N[C@@H](B(O)O)c1cccc(C(=O)O)c1	209183955	DLXDILZICNTAIN-SECBINFHSA-N	237.020	-0.426	50	10	BBGE	
CO[C@@]1(C)CCCN(CC(=O)NN)C1	230294259	XOMKXVNHAAMZAY-VIFPVBQESA-N	201.270	-0.523	50	10	BBGE	
NC(=O)CNc1nnc(CCCl)o1	236200200	WIGBTKQIVSXZGY-UHFFFAOYSA-N	204.617	-0.252	50	10	BBGE	
N#Cc1nccc(C(F)(F)F)c1B(O)O	238612218	TYSRFARMWGKQRE-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
Nc1ccc2scc(O)c2c1B(O)O	306938673	NEESULGMBLWFJE-UHFFFAOYSA-N	209.035	-0.131	50	10	BBGE	
N[C@@H]1NC(=O)[C@@H]2CC[C@@H](Br)C[C@@H]2N1	307290369	BLOCXHZSHVLLGS-NRFSWKIWSA-N	248.124	-0.120	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCCN1)C1CC1	308869271	IJCLFOYDSHRKQE-MRVPVSSYSA-N	211.265	-0.314	50	10	BBGE	
Cc1c([N+](=O)[O-])ccc(=O)n1CCC(=O)NN	310391605	DSLHGDPGCYZYEJ-UHFFFAOYSA-N	240.219	-0.555	50	10	BBGE	
CN(C)C1CN(Cc2cccc(B(O)O)c2)C1	382266324	IHSTVEOGOWYQFY-UHFFFAOYSA-N	234.108	-0.888	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C	384875775	ZJDQRJJIRJRMNM-DJLDLDEBSA-N	215.297	-0.544	50	10	BBGE	
COC(=O)[C@H](NC(=O)[C@@H](C)N)[C@H](C)Cl	388963074	GKNNVNKQQPFWOG-KVQBGUIXSA-N	222.672	-0.381	50	10	BBGE	
C[C@H](CCl)CN1CC[C@@](O)(C(N)=O)C1	389212141	IWXNONHSANCWLX-APPZFPTMSA-N	220.700	-0.217	50	10	BBGE	
Nc1ccc2scc(B(O)O)c2c1CO	396254572	WUJHTOOEYVXOMM-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1	585037952	ONDWFWBCIXLFEF-GXFFZTMASA-N	249.119	-0.119	50	10	BBGE	
C[C@@H](CN1CCC(C#N)CC1)C(=O)NN	693911734	KKPVHTKCROXZSG-QMMMGPOBSA-N	210.281	-0.152	50	10	BBGE	
Cn1nnc(C(=O)NCCBr)n1	697194998	UDALWXYNHCWQAP-UHFFFAOYSA-N	234.057	-0.665	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(N2CCCC2)C1	697800348	KJRBTFNORDJOBL-JTQLQIEISA-N	240.351	-0.075	50	10	BBGE	
Cc1cn(Cc2cccc(B(O)O)c2)c(O)n1	699565580	NFAGNVIVEHHDOD-UHFFFAOYSA-N	232.048	-0.375	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](F)C1	701712478	KAXKZOBHSQATIN-RNFRBKRXSA-N	205.233	-0.965	50	10	BBGE	
CO[C@H](Cn1nc(C)c(B(O)O)c1C)C1CC1	703693224	CGBISOOLQFWTIW-SNVBAGLBSA-N	238.096	-0.395	50	10	BBGE	
OB(O)c1nc(Br)ccc1F	714049958	ZGZYYDUDWJUSGC-UHFFFAOYSA-N	219.806	-0.337	50	10	BBGE	
CN(CCCl)S(=O)(=O)C1=NCC=N1	725594605	QJVXMRCHIGLZQN-UHFFFAOYSA-N	223.685	-0.073	50	10	BBGE	
[O][S+]1(=O)CC(C[n+]2[nH]cnc2CCl)C1	725700560	HOIMMKCPMFEGNF-UHFFFAOYSA-O	236.704	-0.089	50	10	BBGE	
O=S(=O)(CCCl)N1CC[C@H](O)[C@H](F)C1	725709571	RVHTZUSZWFRLJS-RQJHMYQMSA-N	245.703	-0.040	50	10	BBGE	
O=C(Nc1ccc(B(O)O)cc1)C1=CS[N]C1	725711782	VNPGTPMSTUQSJR-UHFFFAOYSA-N	249.080	-0.545	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H]1CCCNC1	831944660	FDQPASDYSAWEJF-MRVPVSSYSA-N	228.296	-0.322	50	10	BBGE	
CC[C@@](C)(CO)C(=O)NNC(=O)[C@H]1CCCO1	848127681	ODFWLJNTDFXPAQ-KCJUWKMLSA-N	244.291	-0.279	50	10	BBGE	
O=C(NNC(=O)C12CCN(CC1)C2)c1cn[nH]c1	912977204	HCYBVAITHUQHHX-UHFFFAOYSA-N	249.274	-0.734	50	10	BBGE	
Cc1ocnc1C(=O)NNC(=O)c1ccnnc1	1638269656	FZKAQSSQVKCLGH-UHFFFAOYSA-N	247.214	-0.152	50	10	BBGE	
CC(C)C(=O)NNC(=O)CN(CCO)C(C)C	1653202275	DUXNYICLIWJYTA-UHFFFAOYSA-N	245.323	-0.508	50	10	BBGE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NN)C1	1880045554	JSIHAAHAASUPKC-JTQLQIEISA-N	245.279	-0.652	50	10	BBGE	
OC[C@@H](O)CNC[C@H]1C[C@@H]1Br	1880433896	LCKIXRDYOJGBJN-VQVTYTSYSA-N	224.098	-0.287	50	10	BBGE	
O=C(CBr)Nc1nc(O)n[nH]1	1880474787	PUJYWXXXLBSFIU-UHFFFAOYSA-N	221.014	-0.156	50	10	BBGE	
O=C([C@H]1C[C@H]1Br)N1C[C@H](O)CO1	1881353792	NLAYHWHWXJVWLD-HCWXCVPCSA-N	236.065	-0.096	50	10	BBGE	
O=S(=O)(NCC#CCCl)c1ncc[nH]1	1884826109	XZEROEYPRNRFFP-UHFFFAOYSA-N	233.680	-0.070	50	10	BBGE	
CC[C@H](C)NC(=O)NCC=CB(O)O	1892925353	UQHAKYNKLOTKCJ-ZETCQYMHSA-N	200.047	-0.348	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1COC[C@@H]1O	1893417606	QISHYXFLYINVNR-RITPCOANSA-N	219.624	-0.816	50	10	BBGE	
C[C@@H](CC(=O)NN)n1cc(C#N)ccc1=O	1894125727	NPCVRALUIGPRPO-ZETCQYMHSA-N	220.232	-0.339	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@@H]2CCCO[C@@H]21	1895439811	MXJFTRFDXAYQOT-NGZCFLSTSA-N	227.308	-0.277	50	10	BBGE	
C=C[C@@H](C)N(C)C(=O)c1cnsc1B(O)O	1900473871	AUNAEIIZHJRSIT-ZCFIWIBFSA-N	240.093	-0.531	50	10	BBGE	
NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	1900684093	NANZZPNDKQXQJK-MRVPVSSYSA-N	221.264	-0.167	50	10	BBGE	
C[C@H](C#N)CS(=O)(=O)N1CC[C@@H](B(O)O)C1	1902548470	MOWFLVXJHKYBSC-HTQZYQBOSA-N	246.097	-0.975	50	10	BBGE	
C#C[C@H](CC)Nc1cc(B(O)O)c(F)cn1	1903006312	RGXVRWOWLHDLGO-SSDOTTSWSA-N	222.028	-0.276	50	10	BBGE	
Cc1nc(CCN2CC[C@@H](B(O)O)C2)n[nH]1	1904771153	XDNHUZDMRNANIR-MRVPVSSYSA-N	224.073	-0.796	50	10	BBGE	
OB(O)c1ccc(OCCN2CC3(CC3)C2)cc1	1914548907	NYFRTLIDZLHFMA-UHFFFAOYSA-N	247.103	-0.159	50	10	BBGE	
CN(C1COC1)[C@@H](C(=O)NN)C(C)(C)C	1915655796	DIFFKZJPMJCAGF-QMMMGPOBSA-N	215.297	-0.278	50	10	BBGE	
CN(C)[C@@H]1COC[C@H]1NC(=O)CCl	1922089406	PBYXWOGOMNEULD-RNFRBKRXSA-N	206.673	-0.330	50	10	BBGE	
CN(C)CCC(=O)NNC(=O)C(F)(F)F	1923411520	FYIZONVSZULRRA-UHFFFAOYSA-N	227.186	-0.352	50	10	BBGE	
CCON(CC)[C@@H](COC)C(=O)NN	1928665864	PKHBQDYRRJUXMS-ZETCQYMHSA-N	205.258	-0.735	50	10	BBGE	
FC[C@@H](Cl)CN=c1ccc2nnnn2[nH]1	1930541889	UZUWJYNIDKJSHV-RXMQYKEDSA-N	230.634	-0.070	50	10	BBGE	
O=C(NC[C@@H](Cl)CF)[C@@H]1CCS1(=O)=O	1930860861	DGGAOJAWXWVLNS-WDSKDSINSA-N	243.687	-0.133	50	10	BBGE	
NNC(=O)CCCN1C[C@H]2C[C@@H]2CC1=O	1931860893	PVUMCGVOLJKZGQ-HTQZYQBOSA-N	211.265	-0.375	50	10	BBGE	
COC[C@H](O[C@H]1CCCOC1)C(=O)NN	1932289525	FYBHERDBMBLLCX-YUMQZZPRSA-N	218.253	-0.813	50	10	BBGE	
Cn1nnnc1CNC[C@H]1COC[C@H]1Cl	1933386958	MQVGZMRQAIRSIE-NKWVEPMBSA-N	231.687	-0.447	50	10	BBGE	
C[C@@H]1C[C@]1(CNC(=O)NN(C)C)C(=O)O	1935436757	DLWGHNWLMRUZPE-HZGVNTEJSA-N	215.253	-0.127	50	10	BBGE	
C[C@H]1CCN(CC(F)(F)C(=O)NN)[C@H]1CO	1935932683	SFWFJBLGHIEQCJ-BQBZGAKWSA-N	237.250	-0.686	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@@H]2C[C@H]2C(=O)NN)C1=O	1936092374	WYGZTRGBENPRBU-LYFYHCNISA-N	225.248	-0.993	50	10	BBGE	
CC(C)[C@]1(O)CCN(CCCC(=O)NN)C1	1937982322	URQVLLFBCIZICJ-NSHDSACASA-N	229.324	-0.151	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)C(C)(C)C1	1945279924	FZEQPFXJQRMYMW-UWVGGRQHSA-N	240.351	-0.362	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)O2)C[C@@H]1F	1947340851	OOTGZJSAVSKDJQ-KATARQTJSA-N	245.298	-0.186	50	10	BBGE	
NC1CN(CC(=O)NCC(Cl)Cl)C1	1953973043	DNJHBILVODNVMO-UHFFFAOYSA-N	226.107	-0.451	50	10	BBGE	
C[C@H](CCl)C(=O)N1CC(O)(CO)C1	1954054895	APAKLUWGNHPYRT-ZCFIWIBFSA-N	207.657	-0.573	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(N)=S)C1	1956243014	SZXUUCXXIYFDGX-LURJTMIESA-N	216.310	-0.219	50	10	BBGE	
NNC(=O)N[C@@]1(C(F)(F)F)CCOC1	1956616772	JLWYDJLQRJBEQU-YFKPBYRVSA-N	213.159	-0.119	50	10	BBGE	
CC(C)S(=O)(=O)C[C@H](C)NC(=O)NN	1956777767	HXNLJJFYJTWMEG-LURJTMIESA-N	223.298	-0.629	50	10	BBGE	
CON(C)c1ncc(B(O)O)cc1Cl	1956966446	VMGZVODFKWQLIY-UHFFFAOYSA-N	216.433	-0.588	50	10	BBGE	
NCCSCc1cnsc1C(=O)NN	1957059662	DWZVEHNVJMZHGA-UHFFFAOYSA-N	232.334	-0.062	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@](N)(C(=O)O)C1	1957255274	DZANRXQSWUTXLL-XPUUQOCRSA-N	217.656	-0.395	50	10	BBGE	
NC(=O)N[C@H]1CCN(CCOCCCl)C1	1960154963	BYTIKUGECZADQQ-QMMMGPOBSA-N	235.715	-0.016	50	10	BBGE	
CCCNC(=O)[C@H]1CCCN1C(=O)NN	1961189606	VPZMMNLGQZQYFH-SSDOTTSWSA-N	214.269	-0.440	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC(C)(C#N)C1	1961495096	KLNJOWNZZNWHPC-JGVFFNPUSA-N	210.281	-0.154	50	10	BBGE	
C[C@H](CN1CCP(C)(=O)CC1)C(=O)NN	1961527283	KNVQANKASTXACH-MRVPVSSYSA-N	233.252	-0.079	50	10	BBGE	
C[C@H]1C[S@@](=O)CCN1C[C@@H](C)C(=O)NN	1961550213	AJPYGPSSDBTZLJ-KUTMEBCESA-N	233.337	-0.935	50	10	BBGE	
CCCN(CC)c1ncncc1B(O)O	1961692303	SNAAZQOKPWNBKZ-UHFFFAOYSA-N	209.058	-0.607	50	10	BBGE	
COCCCSc1ncccc1B(O)O	1961710633	SVTFJLSJEKBDOI-UHFFFAOYSA-N	227.094	-0.110	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)[C@@H]1CN2CC[C@H]1C2	1976088308	WIXCNWQAJAANMG-KXUCPTDWSA-N	226.324	-0.609	50	10	BBGE	
COCCN1CCN(C(=O)CCCl)CC1=O	1976093623	NAEZYXVGISYXFX-UHFFFAOYSA-N	248.710	-0.068	50	10	BBGE	
CC1(CC(=O)N[C@@H](CB(O)O)C(=O)O)CC1	1976988538	HDTPBDRVLPTZIJ-LURJTMIESA-N	229.041	-0.781	50	10	BBGE	
N#CC1(O)CCN(C(=O)N2CC(N)C2)CC1	1977204076	UHIUSELNXBKFPB-UHFFFAOYSA-N	224.264	-0.900	50	10	BBGE	
C[C@@H]1CCOCC[C@@H]1N(C)C(=O)C(=O)NN	1978957780	DHIAUUPVMQDQRS-SFYZADRCSA-N	229.280	-0.750	50	10	BBGE	
C[C@H](N=[S@@](C)(=O)N1CCCCC1)C(=O)NN	1979784708	MBPWPWBPACLSJN-ZKANADHPSA-N	248.352	-0.137	50	10	BBGE	
C[C@@H]1CN(CC(C)(C)C(=O)NN)CC[S@]1=O	1981189912	YOPFAXFAFBCWFW-VPTHRUTESA-N	247.364	-0.545	50	10	BBGE	
Cc1cc(N2CC[C@@H]3C[C@H]32)ncc1B(O)O	1981472372	PYZTZEIGVIMJMZ-PSASIEDQSA-N	218.065	-0.332	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)[C@@H]2C[C@@H]2C)n1	1981531038	SVJYLZBIAVBCLF-IMTBSYHQSA-N	221.069	-0.691	50	10	BBGE	
C[C@H](CN1CC2(CC2)C[C@H]1CO)C(=O)NN	1981728277	AVZGDXYVJGOIMH-BDAKNGLRSA-N	227.308	-0.541	50	10	BBGE	
NNC(=O)CCN1C[C@H](C(F)(F)F)CC1=O	1982225744	CMSCKFMYSVQGGQ-RXMQYKEDSA-N	239.197	-0.223	50	10	BBGE	
COC[C@]1(C)CCN1CC(F)(F)C(=O)NN	1982943998	IMWDWANUMQGAGE-QMMMGPOBSA-N	237.250	-0.278	50	10	BBGE	
C[C@H](CN(C)C[C@H]1CCO[C@@H]1C)C(=O)NN	1983802671	ZSBCQSZXJKFZBZ-OPRDCNLKSA-N	229.324	-0.031	50	10	BBGE	
CO[C@H](C)COc1ccc(B(O)O)c(C)n1	1986051967	MRZJHAPQNWGDSJ-SSDOTTSWSA-N	225.053	-0.516	50	10	BBGE	
N#CC1=CCN(C(=O)[C@]2(O)CCNC2)CC1	1986133111	BWZDPXZXJFOQJV-NSHDSACASA-N	221.260	-0.607	50	10	BBGE	
NNC(=O)CCN1CCC2(CC[C@H]2O)CC1	1987464115	JRUYYTCQIZUFLU-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H]2CSC[C@H]2C1	1990775501	WJCJNDRPVIAETB-DTORHVGOSA-N	243.332	-0.552	50	10	BBGE	
CN(C(=O)C=CC(=O)Cl)[C@@]1(CN)CCOC1	1991648645	RCJREYJLEUWRGO-SNVBAGLBSA-N	246.694	-0.116	50	10	BBGE	
COCCN1CC[C@@H](N(C)[C@H](C)C(=O)NN)C1	1997504835	UQQDBURCSDJMBW-NXEZZACHSA-N	244.339	-0.983	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H]1CCNC[C@@H]1C	1999361564	MKOWTFDXLIPXBU-WPRPVWTQSA-N	242.323	-0.917	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@]2(CO)C[C@@]2(C)C1	2001046204	NAIACFRFXUNLKH-USWWRNFRSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@H](CN2CCCC2)C1	2003905811	ZBZKAQHLAVURAQ-WDEREUQCSA-N	240.351	-0.218	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCn2ncnc2C1	2003925436	LEURLHABKALJLX-SECBINFHSA-N	238.295	-0.892	50	10	BBGE	
C[C@H](C(=O)NN)N1CCC[C@@H](n2ccnc2)C1	2004327745	QWFDKVUAIYNPRE-NXEZZACHSA-N	237.307	-0.102	50	10	BBGE	
CN(c1ncccc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2004934250	CTBDORZGFIMATN-IQJOONFLSA-N	232.092	-0.004	50	10	BBGE	
Cc1ccc(B(O)O)c(N2C[C@H](C)[C@H](F)C2)n1	2004975484	ZNOAMFLNNMJVNH-OIBJUYFYSA-N	238.071	-0.136	50	10	BBGE	
NNC(=O)C(F)(F)CN1CCC2(CC(O)C2)C1	2005808968	QVVIAULPKCFTDM-UHFFFAOYSA-N	249.261	-0.542	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC(O)(c2ccccc2)C1	2008500016	TXFFKHDGDRZAIH-VIFPVBQESA-N	235.287	-0.432	50	10	BBGE	
C[C@H](O)[C@H]1CCN1Cc1occc1C(=O)NN	2011156704	TUKGVBBECYKAHE-IONNQARKSA-N	239.275	-0.162	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@H](C2(O)CC2)C1	2013930190	UOWBBLDRVYYVDM-KXUCPTDWSA-N	239.319	-0.541	50	10	BBGE	
N#CC1(O)CCN(c2cn[nH]c(=NN)c2)CC1	2014261422	INUVKDAXUHRMPK-UHFFFAOYSA-N	234.263	-0.961	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)N2[C@H](C(=O)NN)C(C)(C)C	2014271532	ZPXOFNMIUCECAO-KXUCPTDWSA-N	240.351	-0.221	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H]1COCC1(F)F	2014280210	FBTXQTASZDFRSJ-QYNIQEEDSA-N	247.197	-0.063	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H](CO)C12CC2	2016081530	VTOURFWUNGCQRZ-NXEZZACHSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)[C@@H]1CCN2CC[C@H]1C2	2017623661	RRYQIQRCPVKFOZ-GARJFASQSA-N	240.351	-0.219	50	10	BBGE	
COC1(CC(=O)NCC#CB(O)O)CCCC1	2021111460	TUQRTAHVUBGMJG-UHFFFAOYSA-N	239.080	-0.533	50	10	BBGE	
C=C(CN1CC[C@@H](c2ccnn2C)C1)B(O)O	2021159370	RRQLIIYVZVFXRW-SNVBAGLBSA-N	235.096	-0.222	50	10	BBGE	
CC[C@@H]1CN(c2ccc(B(O)O)cn2)CCN1C	2052471203	CZXZAXBQQAJPMS-LLVKDONJSA-N	249.123	-0.708	50	10	BBGE	
C[C@@H]1[C@H](N(C)C)CCN1c1ccncc1B(O)O	2052498322	BZQJBYQEPOTIDN-MWLCHTKSSA-N	249.123	-0.710	50	10	BBGE	
Cc1ncc(B(O)O)c(N(CC2CC2)C2CC2)n1	2052623755	AYXCWUZQYCTBND-UHFFFAOYSA-N	247.107	-0.156	50	10	BBGE	
CCc1c(OC)cc([N+](=O)[O-])cc1B(O)O	2060054173	QUICEQCBMHAVNP-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
CCOc1cc(B(O)O)c(C#N)cc1C	2060202418	DYOWZAKVSZTYPE-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
CCOc1c(C)cc(C#N)cc1B(O)O	2060202682	LDXQTZDVELESED-UHFFFAOYSA-N	205.022	-0.055	50	10	BBGE	
NNC(=O)CCN1CCC[C@H](CCCO)C1	2210533772	MFMXBPXYNFFLBG-SNVBAGLBSA-N	229.324	-0.149	50	10	BBGE	
Cc1cnc(N2CC3(CC3)C2)cc1B(O)O	2212604046	LJYCBTMRNHDSOU-UHFFFAOYSA-N	218.065	-0.330	50	10	BBGE	
OB(O)c1ccnc(N2CC[C@H]3C[C@H]3C2)c1	2212615804	VDRMSYPWRCTHMB-IUCAKERBSA-N	218.065	-0.392	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1cc(B(O)O)ccn1)C2	2217174624	WNRNOOMHFMKLKQ-JOYOIKCWSA-N	232.092	-0.002	50	10	BBGE	
OB(O)c1ccnc(NC[C@H]2OCC[C@@H]2F)c1	2217176464	WPYIAQSPGGSDSL-DTWKUNHWSA-N	240.043	-0.700	50	10	BBGE	
OB(O)c1ccc(=NCC[C@H]2CC23CC3)[nH]c1	2217183546	JGAQJFMVPBUQFG-VIFPVBQESA-N	232.092	-0.215	50	10	BBGE	
COC[C@@]1(C)CCN1c1cc(B(O)O)ccn1	2217195841	AGBVQXLIZMZGCF-LLVKDONJSA-N	236.080	-0.623	50	10	BBGE	
Cn1ccnc1CNc1ncccc1B(O)O	2217203862	BCGLUFJZGUVZNJ-UHFFFAOYSA-N	232.052	-0.893	50	10	BBGE	
Cc1nc(CNc2cc(B(O)O)ccn2)co1	2217204926	QURJUJZRDSMTJO-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
O=C1[C@@H]2CC[C@H]2C(=O)N1C[C@H](O)CCl	2241503977	IUQJQMQJZKUEMB-FSDSQADBSA-N	217.652	-0.019	50	10	BBGE	
COc1ccc(B(O)O)c(N(C)C2CC2)n1	2243079941	OTHKUWUBBWGNKZ-UHFFFAOYSA-N	222.053	-0.631	50	10	BBGE	
Cc1cnc(CNC(=O)C2(B(O)O)CC2)[nH]1	2243364483	XUCUUSFRBSLFRD-UHFFFAOYSA-N	223.041	-0.659	50	10	BBGE	
Cc1ccc(C(=O)NCCF)c(B(O)O)c1	2243367006	MAORHWOUSUZDQK-UHFFFAOYSA-N	225.028	-0.626	50	10	BBGE	
Cc1cc(C(=O)N2CCCC2)c(B(O)O)s1	2243378562	VSMJEZUIVPQMJL-UHFFFAOYSA-N	239.105	-0.028	50	10	BBGE	
C[C@@H]1CO[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)C1	2243381872	JXGBEPDPBKOFDQ-JBDRJPRFSA-N	227.069	-0.610	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1sncc1B(O)O	2243385455	JCJCOVBFPQUVBX-ZCFIWIBFSA-N	238.077	-0.895	50	10	BBGE	
Cc1nsc(B(O)O)c1C(=O)NC[C@@H](C)F	2243386408	ZRAOUVHVYMQKDC-SCSAIBSYSA-N	246.072	-0.781	50	10	BBGE	
CC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)CO1	2243391143	HACKAAUDSIGSAV-KZVJFYERSA-N	227.069	-0.467	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCC1	2243403945	GPWQYSMOHCJSKL-JGVFFNPUSA-N	227.069	-0.465	50	10	BBGE	
N[C@@H]1CCCCN(C(=O)C2(B(O)O)CC2)C1	2243409813	PKGKVLXGAMWKCU-MRVPVSSYSA-N	226.085	-0.667	50	10	BBGE	
C#CCC(=O)NCc1scc(C)c1B(O)O	2243667807	KZCSITBSWWIUCV-UHFFFAOYSA-N	237.089	-0.624	50	10	BBGE	
CC#CC(=O)N[C@H](C)c1cc(B(O)O)cs1	2243678590	LKHSJRORJWNXEQ-SSDOTTSWSA-N	237.089	-0.372	50	10	BBGE	
C=CC(=O)Nc1ccc(B(O)O)cc1OC	2243685316	ROHTXBSMWGJLMG-UHFFFAOYSA-N	221.021	-0.501	50	10	BBGE	
C[C@@H](CF)N(C)C(=O)c1sccc1B(O)O	2244150698	HDQUUUXOGFLXTA-LURJTMIESA-N	245.084	-0.142	50	10	BBGE	
O=C1NC[C@@H](CN2CCC(B(O)O)CC2)O1	2244176956	KWCYQMICUGUUGI-QMMMGPOBSA-N	228.057	-0.966	50	10	BBGE	
CSCCN(C)C(=O)c1cocc1B(O)O	2244217306	PGGIJBZUWUKUTN-UHFFFAOYSA-N	243.093	-0.606	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1coc(B(O)O)c1	2247723081	QECFEJSNEZCYQG-SVRRBLITSA-N	241.027	-0.611	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2247739733	ANDQBKKHDFWKEB-DAWVFNFOSA-N	233.076	-0.590	50	10	BBGE	
C[C@@H]1C[C@@H]1CCNC(=O)c1ccc(B(O)O)o1	2247740265	IFBRZDIDCNAUDY-SFYZADRCSA-N	237.064	-0.265	50	10	BBGE	
O=C(Nc1ccnnc1)c1ccc(B(O)O)s1	2247740702	OGHLFGGNTAZOEO-UHFFFAOYSA-N	249.060	-0.530	50	10	BBGE	
O=C(NC1C[C@@H]2C[C@H]2C1)c1ccoc1B(O)O	2247746842	FGJQCKLLXVYFFR-BQBZGAKWSA-N	235.048	-0.512	50	10	BBGE	
C[C@@H]1CNCCCN1C(=O)C1(B(O)O)CCC1	2247751632	ZSQBAONXEXSCLR-SECBINFHSA-N	240.112	-0.406	50	10	BBGE	
O=C(NCC(F)F)c1ccc(B(O)O)cc1F	2247752553	RICYXJKCHOWQML-UHFFFAOYSA-N	246.981	-0.500	50	10	BBGE	
O=C(N1CC[C@H](O)[C@@H]2CC[C@@H]21)C1(B(O)O)CC1	2247758474	ZKQJVUXWKSRERH-VGMNWLOBSA-N	239.080	-0.635	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C1CCNCC1	2247796789	CUCZCIIIMAAFJZ-HGNGGELXSA-N	240.112	-0.646	50	10	BBGE	
CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1B(O)O	2247798036	POHLBLZUBKWDCL-AXTSPUMRSA-N	238.096	-0.846	50	10	BBGE	
COc1cccnc1NC(=O)[C@@H]1C[C@H]1B(O)O	2247804794	IPMVIRMKVTYDDU-RNFRBKRXSA-N	236.036	-0.108	50	10	BBGE	
C[C@@H]1COCCCN1C(=O)[C@H]1C[C@H](B(O)O)C1	2247805632	BXZTWNMVCIBBHO-OPRDCNLKSA-N	241.096	-0.123	50	10	BBGE	
O=C(Nc1ccc(CO)cc1)[C@H]1C[C@H]1B(O)O	2247806915	OXHSGUWNFGJKDK-VHSXEESVSA-N	235.048	-0.020	50	10	BBGE	
O=C(NCC1CC(CO)C1)[C@H]1C[C@H](B(O)O)C1	2247807055	PQOCXAMVZTWOKC-CYBICODVSA-N	241.096	-0.626	50	10	BBGE	
C[C@@H](NC(=O)C#CB(O)O)[C@@]12CC[C@@H](CO1)C2	2247846559	IRLXAPKKXVGICX-KKZNHRDASA-N	237.064	-0.924	50	10	BBGE	
CC(C)(F)CCNC(=O)c1ccc(B(O)O)o1	2247846805	MNXQMODLRQCRLF-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
CC(C)(C)[C@]1(O)CCN(C(=O)C#CB(O)O)C1	2247849305	YJQZJTVAYLLZIF-NSHDSACASA-N	239.080	-0.989	50	10	BBGE	
C[C@@H](CC(F)F)NC(=O)c1cc(B(O)O)c[nH]1	2247851534	ZWTODYLDWKLKIL-YFKPBYRVSA-N	246.022	-0.532	50	10	BBGE	
O=C(N1CC[C@@H](O)[C@@H](F)C1)C1(B(O)O)CCC1	2247854396	CBGRXOUPSQJLBT-JGVFFNPUSA-N	245.059	-0.685	50	10	BBGE	
CC(C)C[C@H](O)CNC(=O)C1(B(O)O)CCC1	2247856314	HMBLGMSVZAIGKG-VIFPVBQESA-N	243.112	-0.093	50	10	BBGE	
CC(C)CONC(=O)c1cncc(B(O)O)c1	2247866652	PTIIEHPNMDLNNT-UHFFFAOYSA-N	238.052	-0.921	50	10	BBGE	
CCN[C@H]1CCCN(C(=O)C2(B(O)O)CC2)C1	2247877861	FNZBMLFMERGBHO-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
CN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247894309	FMFTYLODPWPMJD-KXUCPTDWSA-N	240.112	-0.598	50	10	BBGE	
CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1C[C@H]1B(O)O	2247897655	VRYSDBSWYPOUTK-IVZWLZJFSA-N	241.096	-0.266	50	10	BBGE	
C=C(C)C(=O)N1CCc2ccc(B(O)O)cc21	2248396054	USOWWMXJSVNGOL-UHFFFAOYSA-N	231.060	-0.168	50	10	BBGE	
C#CC[C@H](C)C(=O)Nc1ccc(B(O)O)cn1	2248443054	LYGRFJFHLFWJLN-QMMMGPOBSA-N	232.048	-0.641	50	10	BBGE	
COc1cc2ncnc(B(O)O)c2cc1OC	2252601835	ZHUHFTTYKUVPCU-UHFFFAOYSA-N	234.020	-0.673	50	10	BBGE	
COc1ccc(B(O)O)c(N2CCC[C@H]3C[C@@H]32)n1	2254694697	BWTXNMPSXAXPBR-WPRPVWTQSA-N	248.091	-0.241	50	10	BBGE	
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1coc(B(O)O)c1	2255452924	NCIQEAMICZUUHF-FXBDTBDDSA-N	249.075	-0.122	50	10	BBGE	
C[C@@H](NC(=O)c1cc(B(O)O)c[nH]1)c1ccco1	2255463967	PNUCTKHURHWWBP-SSDOTTSWSA-N	248.047	-0.222	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]1C1CC1)c1ccc(B(O)O)o1	2255467973	UPAQZHJIBFFWFF-DTWKUNHWSA-N	249.075	-0.265	50	10	BBGE	
CC[C@@H]1CCCN1C(=O)c1ncc(B(O)O)cn1	2255470470	DUAYCWCYIDURTQ-SECBINFHSA-N	249.079	-0.829	50	10	BBGE	
Cc1cnc(C(=O)N2CC[C@@H]3C[C@@H]32)c(B(O)O)c1	2255788808	WFAMEPABOMCGSO-SCZZXKLOSA-N	246.075	-0.696	50	10	BBGE	
OB(O)c1cnc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1	2298225681	NVLRHABWSSMBPL-WEDXCCLWSA-N	233.080	-0.243	50	10	BBGE	
CCC[C@@H](CCO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2298369980	KUOTUTPWHYCXPJ-IVZWLZJFSA-N	243.112	-0.236	50	10	BBGE	
O=C(NC[C@H]1CCCOCC1)[C@@H]1C[C@H]1B(O)O	2298371522	NHWPTOQBGBKWBH-IVZWLZJFSA-N	241.096	-0.218	50	10	BBGE	
N[C@H]1C[C@@H]2C[C@H](NC(=O)C3(B(O)O)CC3)C[C@H]12	2298374893	CJDJASXBUKIILB-JBDRJPRFSA-N	238.096	-0.765	50	10	BBGE	
C[C@]1(CO)C[C@H](NC(=O)[C@H]2C[C@H](B(O)O)C2)C1	2298376099	HYWWHZYASPBSPU-HFZCXGNTSA-N	241.096	-0.483	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC2CC1(CO)C2	2299755787	FODTYBKLMFDGMO-MBPTXSFVSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](CO)CN(C)CCC[C@@H]1C[C@H]1C(=O)NN	2300370768	NEUAFGCYTCLFGJ-HBNTYKKESA-N	243.351	-0.047	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1O[C@@H]1CC[C@H]1N	2301365439	RFMXYUBDNUTWSC-MWLCHTKSSA-N	232.048	-0.893	50	10	BBGE	
N[C@@H]1CC[C@H]1Nc1ccc(C=O)c(B(O)O)c1	2301419505	PYORNPXOUGOWFG-GHMZBOCLSA-N	234.064	-0.920	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@@H](C(=O)NN)C2)C[C@@H]1O	2302568440	LROGIXGLGNXNHR-ZDCRXTMVSA-N	241.335	-0.295	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCN[C@@H]2CCC[C@@H]21	2302889826	OEHFROQZOXGDMW-RGOKHQFPSA-N	238.096	-0.798	50	10	BBGE	
O=C([C@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@H](B(O)O)C1	2303103541	FMDSYJBOBZIPII-QKMKZGRUSA-N	235.092	-0.036	50	10	BBGE	
COCCCNC(=O)N1CC[C@](C)(B(O)O)C1	2303150261	JALARNCZUUKJIT-JTQLQIEISA-N	244.100	-0.329	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@]2(CO)C1)C(=O)NN	2303410836	PZHMEDGBMDSFKF-WCQGTBRESA-N	241.335	-0.293	50	10	BBGE	
OB(O)c1cc(N2CC[C@H]3C[C@H]3C2)ncc1F	2303847077	CGYIJJITABZYLG-YUMQZZPRSA-N	236.055	-0.253	50	10	BBGE	
O=C(c1ncccc1B(O)O)N1C[C@H]2C=C[C@@H]1C2	2312857203	ZONLMBKOVRCIAU-DTWKUNHWSA-N	244.059	-0.838	50	10	BBGE	
C[C@@]12CC[C@H](NC(=O)c3cc(B(O)O)co3)[C@@H]1C2	2313081030	BTFZEWYYTDCSGX-AUTRQRHGSA-N	249.075	-0.122	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1NCCN1CCC1	2317167112	DKRIJSFIYSGJSV-UHFFFAOYSA-N	245.091	-0.644	50	10	BBGE	
N#CC(=CNC1CC1)C(=O)NCC(=O)O	2324959037	PFLIEJOVIMLJHM-UHFFFAOYSA-N	209.205	-0.653	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](Cn2ccnc2)O1	82468532	NQAVCAJGIOERGX-SFYZADRCSA-N	210.237	-0.579	50	10	BBGE	
C[C@H](C(=O)NN)N(CCO)C1CCCC1	82470087	CTQUMUYRAFBRBW-MRVPVSSYSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N1CCn2cnnc2C1	93072329	VEBBJPVLXXBUOB-HTQZYQBOSA-N	238.295	-0.892	50	10	BBGE	
O=c1cccnn1Cc1ccc(F)cc1B(O)O	203470438	GENIYLDMTZRWKF-UHFFFAOYSA-N	248.022	-0.890	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@](C)(C(N)=O)C1	235318429	MAMCKSDEJRWYKW-DKCNOQQISA-N	242.323	-0.802	50	10	BBGE	
CCO/C(N)=N/S(=O)(=O)CCl	238274412	JFOYFIYIUPVSIB-UHFFFAOYSA-N	200.647	-0.136	50	10	BBGE	
NNC(=O)CN1CCSSCC1	306254293	NWTVWXRDBGBTQY-UHFFFAOYSA-N	207.324	-0.327	50	10	BBGE	
CS[C@@H](C)CNC(=O)NNC(N)=O	308304480	MVYFFEUUXVWTBX-BYPYZUCNSA-N	206.271	-0.380	50	10	BBGE	
O=[N+]([O-])c1ccc2ncnc(B(O)O)c2c1	309509423	OCEPWFMSQCGOJO-UHFFFAOYSA-N	218.965	-0.782	50	10	BBGE	
CCCCCNNC(=O)[C@@H]1COCCN1	309817021	BOLXERLSWDYPHE-VIFPVBQESA-N	215.297	-0.214	50	10	BBGE	
C[C@H](CN1C[C@@H]2CN(C)CC[C@H]2C1)C(=O)NN	310453701	WEARCZXCTYCHRL-VWYCJHECSA-N	240.351	-0.504	50	10	BBGE	
NC(=O)NN=C1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@@H]13	379704304	QATDXYJSLCJZNB-LPWFLVPJSA-N	209.205	-0.408	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CCCCC(=O)NN	384859391	DCWFBBPTNRGBET-UWVGGRQHSA-N	229.324	-0.008	50	10	BBGE	
C[C@@H](Cl)c1n[nH]c(=N[C@@H]2CN(C)NC2=O)o1	393917810	NDMDPIOBGCXBRD-RFZPGFLSSA-N	245.670	-0.452	50	10	BBGE	
CC(C)[S@@](=O)NCc1ccccc1B(O)O	405054980	XSPBWIJLDHCDKT-MRXNPFEDSA-N	241.121	-0.472	50	10	BBGE	
O=C(/C=C/c1ccc[nH]1)NNC(=O)c1cnn[nH]1	491953412	KIGLJCWGDZNWLE-ONEGZZNKSA-N	246.230	-0.393	50	10	BBGE	
CC(C)N(CCN(C)C)C[C@H](C)C(=O)NN	688928677	VYLWTSYSAVFXOQ-JTQLQIEISA-N	230.356	-0.116	50	10	BBGE	
N#CC1(O)CCN(C[C@H](O)CC(=O)O)CC1	692168839	YYBNZMLBNDQYEC-MRVPVSSYSA-N	228.248	-0.828	50	10	BBGE	
C[C@H](Cl)C(=O)N1CC(NS(C)(=O)=O)C1	702955160	RQVORJJOFAVRLL-YFKPBYRVSA-N	240.712	-0.626	50	10	BBGE	
CC[C@H](C(=O)OC)N1[C@H]2CC[C@H]1C(=O)OC2=O	703439850	QUHNWRYGWUOWFM-CSMHCCOUSA-N	241.243	-0.146	50	10	BBGE	
OC[C@H]1CN(CCBr)C[C@@H]1CO	705325030	UIFXXLMAZBNHNX-HTQZYQBOSA-N	238.125	-0.086	50	10	BBGE	
C#C[C@@]1(O)CCCN(C(=O)NC(=O)CCl)C1	708104387	OHZZHWWFAAVSMJ-SNVBAGLBSA-N	244.678	-0.079	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2C=C[C@H](N)C2)CC1	709386641	RFFBMGVBWPXZIX-UWVGGRQHSA-N	235.287	-0.233	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC([C@@H](C)O)C1	719827710	NDWWBFXQJOQWNS-GJMOJQLCSA-N	215.297	-0.687	50	10	BBGE	
Cn1cccc1C=NNC(=O)c1nonc1N	725274277	MEJVNRZJSDEMDI-UHFFFAOYSA-N	234.219	-0.246	50	10	BBGE	
O=CC1=C[C@@H](N2C=CCN2)C([N+](=O)[O-])=[S+]1	725676720	PGMJILVUJJBJEI-SSDOTTSWSA-N	226.237	-0.726	50	10	BBGE	
O=C(N[C@@]1(CCl)CCOC1)C1=NCN=C1	725690804	VUOIBFLRAGAJNJ-SECBINFHSA-N	229.667	-0.017	50	10	BBGE	
CN(NC(=O)Cc1cn(C)nc1Cl)C(N)=O	815900621	JVEBAAGMDSNFLG-UHFFFAOYSA-N	245.670	-0.342	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@H]1CCCS1	819663848	KHUDKLMAVMXONA-NTSWFWBYSA-N	218.278	-0.590	50	10	BBGE	
CCCNC(=O)NNC(=O)C1CC(C)(O)C1	822799306	AEGUVPUXJWIYMY-UHFFFAOYSA-N	229.280	-0.112	50	10	BBGE	
CCCN(C)C(=O)c1cc(F)cc(B(O)O)c1	1088235710	CAYDTBPHPJMWIN-UHFFFAOYSA-N	239.055	-0.013	50	10	BBGE	
C=CCNC(=S)NNC(=O)c1cccnn1	1135700708	SMZWLMLHOPUDTO-UHFFFAOYSA-N	237.288	-0.229	50	10	BBGE	
O=S(=O)(CCl)NCCOCCCO	1261580712	XVPPDEILCQGYNV-UHFFFAOYSA-N	231.701	-0.499	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)c2cn[nH]c2)co1	1461835829	BAJJCRCBZSILSW-UHFFFAOYSA-N	235.203	-0.219	50	10	BBGE	
CC(C)N(C)CC(=O)NNc1nc[nH]n1	1472574322	QGOLWHZITKJTNK-UHFFFAOYSA-N	212.257	-0.412	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)c1cn[nH]c1	1543119082	VVLWJAIMZKCGRZ-UHFFFAOYSA-N	234.219	-0.782	50	10	BBGE	
CCO/C=C(/C#N)C(=O)N(C)c1nn[nH]n1	1557697754	RBXZNJSIZIXRQQ-WAYWQWQTSA-N	222.208	-0.394	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1cc[n+]([O-])cc1	1583708265	QIJDWOJLEOZVSN-UHFFFAOYSA-N	224.220	-0.764	50	10	BBGE	
CCNC(=O)NNC(=O)/C=C\[C@@H]1CCOC1	1597672214	QHLGAWPQSVXYLD-TUUFMJSCSA-N	227.264	-0.071	50	10	BBGE	
COCCN(C)NC(=O)c1cc2n(n1)CCO2	1635259938	AMVHEPNUJUQWNW-UHFFFAOYSA-N	240.263	-0.502	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1	1638573623	DOKNUYBUBYRNNI-YFKPBYRVSA-N	243.223	-0.725	50	10	BBGE	
C[C@@H]1[C@H](O)CN1C[C@H](O)CBr	1880273151	VNSQHSXPQMRKOH-FSDSQADBSA-N	224.098	-0.193	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1[C@H]2CCO[C@H]21	1880578306	REVSUBZUGSDUNY-HSUXUTPPSA-N	211.670	-0.111	50	10	BBGE	
N[C@H](CO)C(=O)NC[C@H]1C[C@@H]1Br	1881354014	RCRMZSJMQMORKP-NGJCXOISSA-N	237.097	-0.794	50	10	BBGE	
NCC1(O)CN(C[C@H]2C[C@@H]2Br)C1	1881362806	MUXXIEFVLYMHGD-RQJHMYQMSA-N	235.125	-0.225	50	10	BBGE	
C#Cc1cc(B(O)O)c(C)c(C(=O)O)c1	1887519240	UARDIKYMKLRRLU-UHFFFAOYSA-N	203.990	-0.646	50	10	BBGE	
COCONS(=O)(=O)CCCl	1888114345	FUKYUNLNAWLYTA-UHFFFAOYSA-N	203.647	-0.320	50	10	BBGE	
N=c1nc(CCCl)[nH]c(=N[C@@H]2CC[C@H]2O)[nH]1	1894452180	QHILAPNRACKYDD-PHDIDXHHSA-N	243.698	-0.577	50	10	BBGE	
C=C(CN(C)[C@@H](C)C[S@](C)=O)B(O)O	1895237529	AZBIGBKSLVSVEC-RTHLEPHNSA-N	219.115	-0.747	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCOC[C@H](F)C1	1900256146	DUCXXTHAQFWPBM-DTWKUNHWSA-N	233.287	-0.185	50	10	BBGE	
O=Cc1ccc(-n2cccn2)cc1B(O)O	1901237012	DDIIWHWKCVEQEF-UHFFFAOYSA-N	216.005	-0.635	50	10	BBGE	
CC(C)NCC(=O)NN(C)S(=O)(=O)C1CC1	1901348629	MAMCQNTXSIJXPL-UHFFFAOYSA-N	249.336	-0.560	50	10	BBGE	
CC(=O)CC(=O)NN(C)S(=O)(=O)C1CCC1	1901349024	SFDMBDYAELETCP-UHFFFAOYSA-N	248.304	-0.189	50	10	BBGE	
Cc1ccnc(N2C[C@@H](F)[C@H](F)C2)c1B(O)O	1907072842	QHRRGTGQAHPDBG-HTQZYQBOSA-N	242.034	-0.434	50	10	BBGE	
Cc1cc2c(=O)n(C[C@@H](C)C(=O)NN)ccn2n1	1912216239	IPXSMTKFACDBLP-SSDOTTSWSA-N	249.274	-0.570	50	10	BBGE	
CN(CCCCCC(=O)NN)S(C)(=O)=O	1913502243	BGSOGSSZIASRTJ-UHFFFAOYSA-N	237.325	-0.572	50	10	BBGE	
CC(C)(C)OC1CC(C(=O)NCB(O)O)C1	1914014281	ACFQXNDSLHNVQB-UHFFFAOYSA-N	229.085	-0.292	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1CCC(C)(C)C(=O)NN	1914255012	JHEXOMNDJJZCCN-RKDXNWHRSA-N	229.324	-0.152	50	10	BBGE	
CN(Cc1ncccc1C(=O)NN)C1COC1	1915651941	YFFXBOQDXIMNRL-UHFFFAOYSA-N	236.275	-0.484	50	10	BBGE	
C[C@@H]1CN([C@H](C)C(=O)NN)[C@H](C)C[C@H]1O	1930115751	JXFMLESSYBPRGC-FNCVBFRFSA-N	215.297	-0.544	50	10	BBGE	
C[C@@]1(O)CON(S(=O)(=O)CCCl)C1	1930278453	SXVQGGSWJRXLCV-LURJTMIESA-N	229.685	-0.447	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1C(=O)NN)[C@@H]1CCC[C@H]1O	1936086594	YOHOSBVHADKHTK-AXTSPUMRSA-N	227.308	-0.542	50	10	BBGE	
CC(C)N(CCCO)C[C@@H]1C[C@H]1C(=O)NN	1936095328	WACMAMCQQLNZRG-VHSXEESVSA-N	229.324	-0.295	50	10	BBGE	
CN1CCC2(CCCN2CC(=O)NN)CC1	1936460869	ATPBPDLGGCOETJ-UHFFFAOYSA-N	226.324	-0.464	50	10	BBGE	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1NC(=O)C(=O)NN	1937004499	JZUNMTXVZCJDDK-BIIVOSGPSA-N	225.292	-0.083	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@@H]2CC[C@@H]2C1=O	1940097783	ZNYXCPMORTYNHC-UYXSQOIJSA-N	223.276	-0.519	50	10	BBGE	
CN1CCC[C@H](N(C)C[C@@H]2C[C@@H]2C(=O)NN)C1	1941086345	INGPGTANILPKOZ-DCAQKATOSA-N	240.351	-0.362	50	10	BBGE	
CCCn1ccn(C[C@@H]2C[C@@H]2C(=O)NN)c1=O	1941088069	OQOQXZQAQNBANP-IUCAKERBSA-N	238.291	-0.314	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1C[C@H]2[C@H](O)CC[C@H]2C1	1941090704	QDLAJEGHFMUSHJ-VPJKUYQRSA-N	239.319	-0.685	50	10	BBGE	
CO[C@H]1COC[C@H]1Oc1ccc(B(O)O)cc1	1942934414	MKWZANPXTPXCNU-WDEREUQCSA-N	238.048	-0.841	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1CC2(CN(C)C2)C1	1946905654	HIMAUXVTTWCFKO-JTQLQIEISA-N	240.351	-0.362	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H](CN2CC(C3CC3)C2)O1	1948089762	OIWFHFRITLBCRU-WDEREUQCSA-N	239.319	-0.134	50	10	BBGE	
Cn1nnc(C(=O)N[C@@H]2C[C@H]2CCl)n1	1955099194	CGGMBPPSXJTQCK-CRCLSJGQSA-N	215.644	-0.433	50	10	BBGE	
NC(=O)[C@@H]1OCC[C@H]1NC(=O)CCCl	1957175018	JACZJUWCCFTYAX-IYSWYEEDSA-N	220.656	-0.626	50	10	BBGE	
C[C@@H](Cl)C(=O)N[C@@H]1CCO[C@H]1C(N)=O	1957175191	LCTQIJCHTHPUKK-HSUXUTPPSA-N	220.656	-0.627	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@@H](C)CS(N)(=O)=O	1957318860	QESCMCNURGFYGP-WDSKDSINSA-N	242.728	-0.203	50	10	BBGE	
CN1CC[C@H]2[C@@H](CCCN2C(=O)NN)C1	1961459927	FYGZBGZUXKQFEA-IUCAKERBSA-N	212.297	-0.014	50	10	BBGE	
NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	1961483602	VFWIGCUXDOYAFY-HTQZYQBOSA-N	215.253	-0.551	50	10	BBGE	
Cc1nc(N2CC[C@H]2C)ccc1B(O)O	1961717908	HZBJVHPYZJHTLE-SSDOTTSWSA-N	206.054	-0.332	50	10	BBGE	
OB(O)c1csc(N2CCC[C@H]2CF)n1	1961719127	YRMWBYGJPHFLEE-LURJTMIESA-N	230.073	-0.239	50	10	BBGE	
NNC(=O)C(F)(F)CCN=S1(=O)CCC1	1975111715	VWOIBUCORJSVJG-UHFFFAOYSA-N	241.263	-0.127	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@]1(C)C(C)=O	1978181962	JRRZBFHMZKRHTB-JTQLQIEISA-N	227.264	-0.793	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC(C[S@@](C)=O)C1	1979478931	AHFFSFZYBCARMQ-ZKANADHPSA-N	247.364	-0.545	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)Cc1c(Cl)ncn1C	1980184038	VMHHGBPPAQOVEY-LURJTMIESA-N	245.714	-0.116	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@H](O)C2)CC1	1980521910	VFHHHUGWYKGCNE-VIFPVBQESA-N	227.308	-0.397	50	10	BBGE	
C[C@H]1CC(=O)N(CCOCC(=O)NN)[C@H]1C	1981163214	MMFQVMIVNFKAKB-YUMQZZPRSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)C(F)(F)CCn1ccncc1=O	1984128875	VVKJEJUCHVIIRF-UHFFFAOYSA-N	232.190	-0.741	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@@H](n2cnnc2)C1	1986221254	LUINTWVOXCANKW-OCAPTIKFSA-N	225.252	-0.622	50	10	BBGE	
C[C@@](F)(Cn1cc(B(O)O)cn1)C(F)(F)F	1989407524	URCBPJZLRMZILO-ZCFIWIBFSA-N	239.965	-0.147	50	10	BBGE	
O=C(C[C@@H]1CCCCO1)NCC=CB(O)O	1991338832	SSMYUVPEYDSXOG-VIFPVBQESA-N	227.069	-0.370	50	10	BBGE	
CN1CCN(C(=O)C=CC(=O)Cl)CCC1=O	1991663063	QTHOHGCQTZDAJO-UHFFFAOYSA-N	244.678	-0.001	50	10	BBGE	
CO[C@@H]1CNCC[C@H]1NC(=O)/C=C/C(=O)Cl	1991705997	LBZVTUDJMQMZQX-YEMZYZDBSA-N	246.694	-0.199	50	10	BBGE	
C=C(CN1CC[C@@H](S(=O)(=O)CC)C1)B(O)O	1992154209	WKOGDDAUSGJLJG-SECBINFHSA-N	247.125	-0.936	50	10	BBGE	
CC12CC(Cn3ccc(B(O)O)n3)(CO1)C2	1993903835	ZHZQOMALDFJOBJ-UHFFFAOYSA-N	222.053	-0.868	50	10	BBGE	
C[C@@H](Cc1ccncc1)NC(=O)C(=O)NN	1994075419	XMCMKJNBTRCBGA-ZETCQYMHSA-N	222.248	-0.881	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CC(OCCCO)C1	1995185468	YKUASXJAXMGXLM-NSCUHMNNSA-N	247.678	-0.082	50	10	BBGE	
O=C(N[C@H](CB(O)O)C(=O)O)[C@H]1CC[C@H](F)C1	1998136028	WERVRZNDHFEERT-LYFYHCNISA-N	247.031	-0.833	50	10	BBGE	
COc1cc(Cn2ccc(B(O)O)n2)ccn1	2001620231	HGTRHVWFEXIQGY-UHFFFAOYSA-N	233.036	-0.985	50	10	BBGE	
Cc1cn(-c2cc(C)c(B(O)O)cn2)c(C)n1	2005008353	WNSZTECVVRIGFH-UHFFFAOYSA-N	231.064	-0.128	50	10	BBGE	
Cc1cc(NC(=O)[C@H]2C[C@H]2F)cc(B(O)O)c1	2006986229	CRMOWTBCFQVZNC-VHSXEESVSA-N	237.039	-0.029	50	10	BBGE	
Cc1cnc(N2CC(C)(CF)C2)c(B(O)O)c1	2008690580	SYBJZCWRKPHXGX-UHFFFAOYSA-N	238.071	-0.134	50	10	BBGE	
CO[C@H](C)CCN(C)c1ncncc1B(O)O	2009690957	YWOXSELAYHWSIR-MRVPVSSYSA-N	239.084	-0.982	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCC2(CC[C@H]2O)CC1	2014133616	HEHAUQQLOLIXNS-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)C[C@H]1C[C@@H]1F	2014736115	UJJWIGWPRVKCMS-SCZZXKLOSA-N	238.071	-0.136	50	10	BBGE	
OB(O)c1cc(F)cnc1N1CCC[C@H](F)C1	2014916375	BEQHFDDECMJSSL-ZETCQYMHSA-N	242.034	-0.161	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CC[C@H]21)c1ccc(B(O)O)cc1	2022196721	QIWZUQMPMUZWRP-URLYPYJESA-N	231.060	-0.495	50	10	BBGE	
C[C@@H](CN1Cc2ncnc(O)c2C1)C(=O)NN	2025567475	IKLVEWDHXRXSIX-LURJTMIESA-N	237.263	-0.876	50	10	BBGE	
Cc1nc(N2C[C@@H]3CCO[C@H]3C2)ccc1B(O)O	2052620221	QEDHUNIOXGGXRJ-ONGXEEELSA-N	248.091	-0.705	50	10	BBGE	
CCOc1cc(F)cc(B(O)O)c1[N+](=O)[O-]	2060121223	QGOMVHAJKAOBPU-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
COc1cc(B(O)O)c([N+](=O)[O-])cc1C#N	2060290691	BPPRYDYADUVTHS-UHFFFAOYSA-N	221.965	-0.845	50	10	BBGE	
COCc1ccc(Cn2ccc(B(O)O)n2)cc1	2071399563	LLQROVPSZZDJHW-UHFFFAOYSA-N	246.075	-0.242	50	10	BBGE	
CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(B(O)O)cn1	2079520043	SGKUYRIKZMTIEO-VHSXEESVSA-N	248.091	-0.008	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1[C@@H]2COC[C@H]1C2	2211838309	FXPFGHLRNODLKQ-IMSYWVGJSA-N	225.292	-0.524	50	10	BBGE	
CCS(=O)(=O)N(C)C[C@H]1CC[C@H]1C(=O)NN	2211839318	SLVOSAFWEDFSBP-HTQZYQBOSA-N	249.336	-0.716	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]3C2)nc1	2212602328	BWULKMACTNAVFC-QMSLJYSESA-N	219.053	-0.633	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C(C)(C)O	2212610394	ICALOPYHFNFHLX-SSDOTTSWSA-N	224.069	-0.667	50	10	BBGE	
CN1CCCN(C[C@@H]2CC[C@@H]2C(=O)NN)CC1	2215776266	LTRIZQNYVTVBLP-QWRGUYRKSA-N	240.351	-0.360	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@H]2[C@H]3CO)CCC1	2216535337	ZDWWQKIGJYHNHQ-UTLUCORTSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)ccn2)CCCO1	2217176244	UDFJMYWWPBVXFC-SECBINFHSA-N	236.080	-0.623	50	10	BBGE	
CC(C)C[C@H](N)COc1ncccc1B(O)O	2217182256	BCZGFZUBFRVOET-VIFPVBQESA-N	238.096	-0.486	50	10	BBGE	
Cc1cnc(N[C@]2(C)CCOC2)cc1B(O)O	2217185050	XUOAAFQTHWPCTC-LLVKDONJSA-N	236.080	-0.339	50	10	BBGE	
N[C@@H]1CCC[C@@H]1COc1ncccc1B(O)O	2217186930	QNDJHHRWHHDYIL-PSASIEDQSA-N	236.080	-0.732	50	10	BBGE	
C[C@H]1CC[C@H](Oc2cc(B(O)O)ccn2)CN1	2217189117	YCWZJXILVCFUGV-WPRPVWTQSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1cccnc1NC1C[C@@H]2CC[C@H](C1)O2	2223632610	MCJAHPZSCDLKSM-PBINXNQUSA-N	248.091	-0.117	50	10	BBGE	
OB(O)c1ccc(N[C@H]2C[C@@H]3COC[C@@H]3C2)nc1	2223639509	RRKNBKAXAPLWFF-JZYVYDRUSA-N	248.091	-0.402	50	10	BBGE	
OB(O)c1ccnc(NC[C@@H]2CCCNCC2)c1	2223671599	OKIUDCRXXMDIRB-SNVBAGLBSA-N	249.123	-0.437	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccnn1C1CC1	2243356237	DMLWKWRVSQLKAL-UHFFFAOYSA-N	219.009	-0.828	50	10	BBGE	
O=C(NC[C@]12C[C@H](CO1)C2)C1(B(O)O)CC1	2243365493	NJTHNDYVTMODLN-OTSSQURYSA-N	225.053	-0.711	50	10	BBGE	
C=C[C@H](C)N(C)C(=O)c1cc(B(O)O)sn1	2243378123	MYAPSRKKKNUCFL-LURJTMIESA-N	240.093	-0.531	50	10	BBGE	
O=C(NC[C@H]1C[C@H](O)C1)C1CC(B(O)O)C1	2243395932	FAMIVHLXBVCLAL-SMIAOZBLSA-N	227.069	-0.874	50	10	BBGE	
O=C(N[C@@H]1CC12CC2)c1ncsc1B(O)O	2243398493	QFRNFJFINOUQCM-RXMQYKEDSA-N	238.077	-0.895	50	10	BBGE	
CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)C#CB(O)O	2243400643	FOXZMHVZUJZTQN-ILWJIGKKSA-N	221.065	-0.494	50	10	BBGE	
O=C(N[C@]12COC[C@@H]1C2)C1CC(B(O)O)C1	2243403879	FIEMRYXLIDKUQS-IKBASURWSA-N	225.053	-0.856	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1cscc1B(O)O	2243408528	OYJJVXKSQHEMOE-ZETCQYMHSA-N	239.105	-0.020	50	10	BBGE	
O=C(NCCF)c1ccc(F)cc1B(O)O	2243411527	VLSAEOYUDPGPJO-UHFFFAOYSA-N	228.991	-0.795	50	10	BBGE	
O=C(NCc1ccccn1)[C@H]1C[C@@H]1B(O)O	2243414546	CUBRXDSXMQIDSN-IUCAKERBSA-N	220.037	-0.439	50	10	BBGE	
C#CC[C@@H](C(=O)NCC=CB(O)O)C1CC1	2243713839	BLUJJIZKNQKQSM-SNVBAGLBSA-N	221.065	-0.280	50	10	BBGE	
C[C@@H](OCCN1CCOC[C@H]1C)C(=O)NN	2244038581	YAMZPKANDCIDGL-RKDXNWHRSA-N	231.296	-0.898	50	10	BBGE	
O=C(N[C@H]1C[C@H]1C1CC1)c1coc(B(O)O)c1	2247736519	WHPODRHQHXDNPR-IUCAKERBSA-N	235.048	-0.512	50	10	BBGE	
NC[C@H]1CCC[C@@H](NC(=O)C2(B(O)O)CC2)C1	2247750244	GPJRLCHBIGTSHL-DTWKUNHWSA-N	240.112	-0.373	50	10	BBGE	
CC[C@@]1(NC(=O)C2(B(O)O)CC2)CCCNC1	2247751008	RISYJQFVVDAKFG-SNVBAGLBSA-N	240.112	-0.358	50	10	BBGE	
O=C(N1[C@H]2CC[C@@H]1C[C@H](O)C2)C1(B(O)O)CC1	2247756242	RZNVQPHCWRTWFV-BRPSZJMVSA-N	239.080	-0.492	50	10	BBGE	
CC[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cn1	2247769234	GDVMKKKEKZTHKV-GMSGAONNSA-N	234.064	-0.710	50	10	BBGE	
C[C@H](NC(=O)c1n[nH]cc1B(O)O)C(C)(C)C	2247782166	QZPOIQISDSAFLF-LURJTMIESA-N	239.084	-0.746	50	10	BBGE	
O=C(NC[C@H](F)[C@@H]1CCOC1)[C@@H]1C[C@@H]1B(O)O	2247793255	WSPBGUMALKYYHK-HXFLIBJXSA-N	245.059	-0.660	50	10	BBGE	
CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@@H]2B(O)O)O1	2247798348	SODNFFKJXPNXKR-VGMNWLOBSA-N	241.096	-0.077	50	10	BBGE	
CN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2247806016	CPXPRJCGBDWXJP-OPRDCNLKSA-N	240.112	-0.598	50	10	BBGE	
COC1CCC(NC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247806898	GTWMVHGQLGCDIX-HORUIINNSA-N	241.096	-0.077	50	10	BBGE	
O=C(NCc1cccnc1O)[C@@H]1C[C@@H]1B(O)O	2247808356	KWYRYTZIJSVCBJ-SFYZADRCSA-N	236.036	-0.734	50	10	BBGE	
O=C(N[C@@H]1CCNCC12CC2)[C@@H]1C[C@H]1B(O)O	2247850859	AEZVJRSQWNTWNF-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
C[C@H]1CN[C@@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247854467	CZNCOYAALWGOBQ-IUCAKERBSA-N	240.112	-0.550	50	10	BBGE	
CC(C)CCN(CCO)C(=O)[C@@H]1C[C@@H]1B(O)O	2247898988	JBRRSLDPVLEREC-ZJUUUORDSA-N	243.112	-0.284	50	10	BBGE	
O=C(N[C@H]1COCC1(F)F)[C@H]1C[C@@H](B(O)O)C1	2247909166	GBIHGWDVBDTJOG-XVMARJQXSA-N	249.022	-0.610	50	10	BBGE	
CC[C@H](C(=O)O)N(C)C(=O)C1(B(O)O)CCC1	2248585158	HCABQAOZIFEDDJ-SSDOTTSWSA-N	243.068	-0.295	50	10	BBGE	
O=C(NCCN1CC[C@H]2C[C@@H]21)C1(B(O)O)CC1	2251689645	ICNABPKGRSYIEC-IUCAKERBSA-N	238.096	-0.796	50	10	BBGE	
C[C@H]1CC[C@@H](NC(=O)c2ccncc2B(O)O)C1	2255454244	VVMBTCUADNBCDX-DTWKUNHWSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(C(=O)NCC2COC2)c(B(O)O)c1	2255513504	SHNJPEIOFVZFAU-UHFFFAOYSA-N	249.075	-0.949	50	10	BBGE	
O=C(N[C@H]1C[C@H](c2ncc[nH]2)C1)[C@@H]1C[C@@H]1B(O)O	2255571344	OICLXVTYAXEHHK-BGZDPUMWSA-N	249.079	-0.365	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)cc1[N+](=O)[O-]	2255679819	JELFPIWPFWSGHD-UHFFFAOYSA-N	249.975	-0.746	50	10	BBGE	
Cc1cnc(NC(=O)c2ccoc2B(O)O)cn1	2255714967	YRNKCMWLHPZKEB-UHFFFAOYSA-N	247.019	-0.690	50	10	BBGE	
C[C@H](NC(=O)c1cncc(B(O)O)c1)[C@H]1C[C@H]1C	2255716651	FEZITVAVRBCITF-FYBVGQRMSA-N	248.091	-0.464	50	10	BBGE	
CONC(=O)c1ccc2cc(B(O)O)ccc2c1	2255733276	IPKNDXKKTDMFHA-UHFFFAOYSA-N	245.043	-0.189	50	10	BBGE	
O=C(NC1CC(n2ccnc2)C1)[C@@H]1C[C@H]1B(O)O	2255783483	MMMNGZPCZRODIK-YDYPAMBWSA-N	249.079	-0.434	50	10	BBGE	
C#CCCN(C(=O)c1cc(B(O)O)co1)C1CC1	2258127125	IFTYRHSBURWFNX-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Cc1ccc(B(O)O)c(OC2(C3CC3)COC2)n1	2260132332	NDMYLLJOIRKAIV-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
NC(=O)NN=CC(=O)C=CN1CCCC1	2297620202	YCGASXMMIVJFKH-UHFFFAOYSA-N	210.237	-0.181	50	10	BBGE	
C[C@H]1[C@H](O)C[C@@H](C)CN1C[C@@H]1C[C@H]1C(=O)NN	2298082890	HSTFTTIFQDAAAZ-ZKKRXERASA-N	241.335	-0.296	50	10	BBGE	
CN1CCN(C[C@@H]2CC[C@H]2C(=O)NN)[C@@H]2C[C@H]21	2298165848	CEUUGYVSYXXXGY-LNFKQOIKSA-N	238.335	-0.609	50	10	BBGE	
CC1(C)[C@@H](O)C[C@H]1CNC(=O)[C@H]1C[C@H]1B(O)O	2298370031	MBCMVRCVSXBZLK-MAUMQABQSA-N	241.096	-0.628	50	10	BBGE	
C[C@@]1(CNC(=O)[C@@H]2C[C@H]2B(O)O)CCC[C@@H]1O	2298632255	PTGFXGKMWGXNRD-REIXXSIJSA-N	241.096	-0.483	50	10	BBGE	
C[C@@H](C(=O)N1CCCC1)N1CC[C@H](B(O)O)C1	2303100194	XANWDKYZHACNIC-UWVGGRQHSA-N	240.112	-0.454	50	10	BBGE	
C[C@@H]1CO[C@H](C(=O)N2CC[C@@](C)(B(O)O)C2)C1	2303110878	DWMIPNLMECMQMS-ATZCPNFKSA-N	241.096	-0.123	50	10	BBGE	
C[C@H](C(=O)NC1CC1)N1CC[C@@](C)(B(O)O)C1	2303134188	OJYDPYAZYFGHFR-LDYMZIIASA-N	240.112	-0.408	50	10	BBGE	
CC[C@@](C)(CN1CC[C@@](F)(CO)C1)C(=O)NN	2303420910	CTHBAKHSPDDGNZ-QWRGUYRKSA-N	247.314	-0.201	50	10	BBGE	
CC[C@](C)(CN1CC[C@H]2C[C@]2(O)C1)C(=O)NN	2303424103	NHFIAQVXZIWMHU-WCQGTBRESA-N	241.335	-0.151	50	10	BBGE	
Cc1nc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)ncc1B(O)O	2309538923	DNPZGJOILIBNTQ-SJQPAMGKSA-N	245.091	-0.691	50	10	BBGE	
Cc1cnc(NC[C@@H]2[C@H]3CN[C@@H]2C3)cc1B(O)O	2312612322	QLKKVNIJPYGXAT-FXPVBKGRSA-N	247.107	-0.910	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1CC=C[C@H]1CF	2317150451	FRLVQGXVPYQJQS-NSHDSACASA-N	246.050	-0.048	50	10	BBGE	
N#CC(=CNCCCO)C(=O)N1CCOCC1	2324939435	XJWPTINQWOBQNE-UHFFFAOYSA-N	239.275	-0.775	50	10	BBGE	
CN(C)CCNC(=O)CNC(=O)CCCl	41695855	HQHPTROQWWJTNS-UHFFFAOYSA-N	235.715	-0.591	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC(OC)CC1	82467386	DPDPWGGXZWHLOS-SECBINFHSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)CN1CCC[C@@H]1CCCO	82468740	HORBRUXOLDJXJY-MRVPVSSYSA-N	201.270	-0.787	50	10	BBGE	
NNC(=O)CCCCN1CCS(=O)CC1	82469749	VNAXHSZLPVSKOD-UHFFFAOYSA-N	233.337	-0.789	50	10	BBGE	
CCOC(=O)C(=O)NNc1cnccn1	95931292	BIMWLMKLKZBRNL-UHFFFAOYSA-N	210.193	-0.517	50	10	BBGE	
C[C@H](CCl)C(=O)N[C@@H]1CC(=O)N(C)C1=O	114650213	KCEJVAOEGPWBMO-PHDIDXHHSA-N	232.667	-0.265	50	10	BBGE	
COc1ccc(CN(C)C)cc1B(O)O	169907037	HFSFJMVZIWRGNH-UHFFFAOYSA-N	209.054	-0.563	50	10	BBGE	
OB(O)c1cnc(OC(F)(F)F)nc1	170024322	XCKVUVPMEHWNDX-UHFFFAOYSA-N	207.904	-0.945	50	10	BBGE	
N[C@](CCCO)(CCCCB(O)O)C(=O)O	170185216	FCBAPPHIBJDFGQ-VIFPVBQESA-N	233.073	-0.816	50	10	BBGE	
C[C@H](Cl)C(=O)NC1(CC(N)=O)COC1	170278001	CVFRBIKQVOYENU-YFKPBYRVSA-N	220.656	-0.626	50	10	BBGE	
Cc1cccc(-c2nn3c(c2B(O)O)CCC3)n1	197374183	WVWWBNLLTJWTQY-UHFFFAOYSA-N	243.075	-0.120	50	10	BBGE	
COCc1cc(OC)cc(OC)c1B(O)O	201654133	LGOYYTNSVPIQIZ-UHFFFAOYSA-N	226.037	-0.470	50	10	BBGE	
Cc1ccc(OCc2ncnn2C)c(B(O)O)c1	203545535	LYBNPGCNYLOATJ-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@@H](N)C(=O)N[C@@H](CCl)P(=O)(O)O	225880429	MZXKEICQABDUOP-QWWZWVQMSA-N	230.588	-0.808	50	10	BBGE	
C[S@](=O)CCn1nnnc1CCl	229254144	QTFZTWBCYCEQNU-LBPRGKRZSA-N	208.674	-0.210	50	10	BBGE	
CO[C@]1(C)CCCN(C(=O)C(=O)NN)C1	230280095	GJULTXVLEOMGSE-SECBINFHSA-N	215.253	-0.996	50	10	BBGE	
N#C[C@@H]1CN(S(=O)(=O)CCCl)CCO1	232300441	ZIXGBUFZSIOPFH-SSDOTTSWSA-N	238.696	-0.221	50	10	BBGE	
COC[C@@H](Sc1nccc(C)n1)C(=O)NN	232421410	IYRCQEIWXDIBLG-SSDOTTSWSA-N	242.304	-0.118	50	10	BBGE	
COC(=O)[C@@H]1CSC/C1=N\NC(N)=O	238342806	NPMSYBINGRBHIN-CHSILJQXSA-N	217.250	-0.453	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)O1)[C@H]1CCOC1	250362753	FAOCZQVASNVQKJ-LPEHRKFASA-N	243.307	-0.755	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@H](OC)C1	300045316	JGZUALQLLMXKQG-IUCAKERBSA-N	215.297	-0.134	50	10	BBGE	
CC[C@H]1CN(C(=O)C(=O)NN)CCCO1	300936134	ROIHCLWIFWJEQJ-ZETCQYMHSA-N	215.253	-0.996	50	10	BBGE	
OB(O)c1ccc(Br)c(F)c1O	306196631	KUZKWVYLASGJRY-UHFFFAOYSA-N	234.817	-0.026	50	10	BBGE	
COc1ncc(B(O)O)c(C)c1Cl	306726923	ASPAGURWKVFYDU-UHFFFAOYSA-N	201.418	-0.268	50	10	BBGE	
NC(=O)NNC(=O)CCSC(N)=S	308184658	FDHDZNWCHYOHBW-UHFFFAOYSA-N	222.295	-0.947	50	10	BBGE	
CCOC(=O)NNC(=O)[C@H]1CNC[C@H]1C	309657137	WHIQAQHUSABQHY-RQJHMYQMSA-N	215.253	-0.381	50	10	BBGE	
O=CCCc1cccc(CCC=O)c1B(O)O	310271258	DFRITDLEMMZMHE-UHFFFAOYSA-N	234.060	-0.371	50	10	BBGE	
C[C@H]1[C@H](O)CCCN1CCCCC(=O)NN	384859392	DCWFBBPTNRGBET-VHSXEESVSA-N	229.324	-0.008	50	10	BBGE	
Cn1ncnc1CNC(=O)NC(=O)CCCl	389387903	QVCXCZVWOCYZBS-UHFFFAOYSA-N	245.670	-0.230	50	10	BBGE	
N#C[C@@H](Cl)CN1CCC[C@@](O)(C(N)=O)C1	389612316	DWENXZSPVCFQFC-APPZFPTMSA-N	231.683	-0.570	50	10	BBGE	
COC[C@H](O)CN(C)[C@@H](C(=O)NN)C(C)(C)C	395603871	DUKSCLICQYCHDE-BDAKNGLRSA-N	247.339	-0.670	50	10	BBGE	
CCOC(=O)CCc1ccc(O)c(B(O)O)c1	396054497	IVKUKHRPOYJRJI-UHFFFAOYSA-N	238.048	-0.432	50	10	BBGE	
COc1cnc(B(O)O)cc1C(F)(F)F	396117239	FDVHALWNOONVMB-UHFFFAOYSA-N	220.943	-0.211	50	10	BBGE	
CC(=O)Cc1cccc(C(=O)O)c1B(O)O	396130691	VBNBYVBPJPDCQZ-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCN(C2CC2)C[C@H]1C	402771107	JFRIHQQWRSOTQR-BDAKNGLRSA-N	226.324	-0.467	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1CCC[C@@H]1O	689820129	WYCMEWDJWWTUQJ-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
Cc1nccnc1CN(C)CC(=O)NN	700076849	BGDUWFGLZISJSP-UHFFFAOYSA-N	209.253	-0.793	50	10	BBGE	
Cc1cc(C)nc(Cn2cc(B(O)O)cn2)n1	700528350	IIJJMRVIVGKEQI-UHFFFAOYSA-N	232.052	-0.982	50	10	BBGE	
O=C(CCCl)N[C@@H]1COCC[C@@H]1O	710945864	NSWQXTJGZKNYAZ-RQJHMYQMSA-N	207.657	-0.119	50	10	BBGE	
C[C@@H](CN1CCO[C@H](C)CC1)C(=O)NN	720469017	AJTRDPLEFNINLN-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
CC(C)NC(=O)NNC(=O)COC(F)F	795792130	FHJOHXBQRUMOGJ-UHFFFAOYSA-N	225.195	-0.036	50	10	BBGE	
Cc1ncoc1C(=O)NNC(=O)[C@H]1CCCO1	817215407	XBPMNMBEJKCIOK-SSDOTTSWSA-N	239.231	-0.077	50	10	BBGE	
CC(=O)NCC(=O)NNC(=O)[C@@H]1CCCS1	819654133	YNHJNLSIEXVTSN-ZETCQYMHSA-N	245.304	-0.835	50	10	BBGE	
CS(=O)(=O)CC(=O)NN=C[C@H]1CC1(F)F	863185995	KISYVDGPTASUCL-RXMQYKEDSA-N	240.231	-0.212	50	10	BBGE	
CCNC(=O)N(C)NC(=O)/C=C\C(=O)N(C)C	1152107086	SNDJDFLNZUVTJR-SREVYHEPSA-N	242.279	-0.677	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)CSC(F)F	1154451898	ULCZMJLQRXMYPT-UHFFFAOYSA-N	242.247	-0.140	50	10	BBGE	
CO[C@@H](C(=O)NNC(=O)N(C)C)[C@@H]1CCOC1	1328183830	GKLOJQDXYJODGT-HTQZYQBOSA-N	245.279	-0.660	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NCc1cn(C)nn1	1346157026	TYMUKBGDZBUHHF-FPLPWBNLSA-N	235.247	-0.125	50	10	BBGE	
COc1cc(C(=O)NNC(=O)CO)ccc1C#N	1558958257	SLGQKEPMXJMJFW-UHFFFAOYSA-N	249.226	-0.680	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CC1COC1	1627565815	NXTBTPHSSRTYHC-ZETCQYMHSA-N	202.254	-0.633	50	10	BBGE	
NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1Br	1877334154	KRPMBDPVRYNELY-PBXRRBTRSA-N	237.097	-0.794	50	10	BBGE	
O[C@@H]1CNCCN(C[C@@H]2C[C@H]2Cl)C1	1883552625	NOLZRAWCIGICII-DJLDLDEBSA-N	204.701	-0.120	50	10	BBGE	
CS[C@@H](C)C(=O)NCC=CB(O)O	1886641619	MFVFUKFZSXQOAV-LURJTMIESA-N	203.072	-0.578	50	10	BBGE	
C[C@H](CN)N(C)c1cc(B(O)O)c(Cl)cn1	1901470735	UJRKZHQPROXOGL-ZCFIWIBFSA-N	243.503	-0.802	50	10	BBGE	
NNC(=O)C1(COCC2[C@H]3COC[C@H]23)CC1	1902330144	KXEWKTKJVGNUBU-YUMQZZPRSA-N	226.276	-0.335	50	10	BBGE	
CN(C)NC(=O)N1CC[C@H](C(=O)O)[C@@H]2C[C@@H]21	1902996532	IFZBXDBCWVIKMA-FXQIFTODSA-N	227.264	-0.032	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@H](O)[C@H]1CF	1905009686	ORBQTZDXROCWRK-GKROBHDKSA-N	225.647	-0.483	50	10	BBGE	
CS[C@@H]1CC[C@H]1Oc1ncncc1B(O)O	1905020875	VPNGEHRPFVSDNN-HTQZYQBOSA-N	240.093	-0.571	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCOC[C@@H]1C(F)F	1907447705	KFRLADPWGMLVEQ-XLPZGREQSA-N	249.261	-0.422	50	10	BBGE	
C[C@@H]1[C@@H](Cn2cccc(B(O)O)c2=O)C1(F)F	1907911244	ORYMBXFEHMBVIJ-RNFRBKRXSA-N	243.018	-0.571	50	10	BBGE	
CCCN1C[C@@H]2C[C@H]1CN2CCCC(=O)NN	1908896634	ATPMXUXUQBQQLG-QWRGUYRKSA-N	240.351	-0.075	50	10	BBGE	
C[C@@H](CN1C(=O)C(=O)c2ccccc21)C(=O)NN	1912236423	WJSLGDYIYYIMRP-ZETCQYMHSA-N	247.254	-0.158	50	10	BBGE	
C[C@H]1[C@@H](O)CCN1Cc1ccoc1C(=O)NN	1914254900	KYHFDJZKXZGAFW-CBAPKCEASA-N	239.275	-0.162	50	10	BBGE	
COCC[S@@](C)(=O)=NC[C@@H]1C[C@H]1C(=O)NN	1918075380	ULYJBFWBTPPYBG-BVEWNFNHSA-N	249.336	-0.643	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@H](O)CC2(CC2)C1	1926423564	YYIHTCHGFJOHTA-NXEZZACHSA-N	241.335	-0.008	50	10	BBGE	
CO[C@H](C)CN(C)CC(F)(F)C(=O)NN	1927815881	DDXPDOFOGGKFOG-ZCFIWIBFSA-N	225.239	-0.422	50	10	BBGE	
NC(=O)[C@H]1CC[C@@H](NC(=O)CCl)C1	1928419540	TXFHRSGXTBHLKJ-NTSWFWBYSA-N	204.657	-0.005	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)C[C@H]1F	1928694266	MSSCCFNEIDAJAQ-BWZBUEFSSA-N	219.260	-0.576	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](O)[C@H](C2CC2)C1	1929071965	ZFSRAAAIDKNSEQ-YEPSODPASA-N	213.281	-0.933	50	10	BBGE	
O=C(NNCCO)[C@@H]1C[C@@H]2C[C@H]2CO1	1931607692	RPKHZZFZDNACRI-FXQIFTODSA-N	200.238	-0.976	50	10	BBGE	
CC[C@@H](CCOC)C(=O)NNCCO	1931777042	HEHPQRRUYJHPTI-QMMMGPOBSA-N	204.270	-0.338	50	10	BBGE	
C[C@H](CN1CC(N2CCC2)C1)C(=O)NN	1932053147	OVQNSXRDMVXXJV-MRVPVSSYSA-N	212.297	-0.998	50	10	BBGE	
CC[C@@H](CN)S[C@@H](COC)C(=O)NN	1934334784	ZZOZYXGISGSLNO-BQBZGAKWSA-N	221.326	-0.538	50	10	BBGE	
CN(CCCC(=O)NN)C[C@@H]1COCCO1	1935547445	MPDYEWRCEJNFDP-SECBINFHSA-N	231.296	-0.896	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H]1CCO	1936088358	MMRRTARROQMUHP-IVZWLZJFSA-N	227.308	-0.541	50	10	BBGE	
CCn1cc(OC[C@H]2C[C@H]2C(=O)NN)cn1	1936095158	UMVQNFFNNRSIBY-VXNVDRBHSA-N	224.264	-0.092	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)[C@H]1C(N)=O	1942615757	KKTTVCPLXPUCAV-JGVFFNPUSA-N	242.323	-0.802	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)c1cocn1	1944196159	CZBYLKVQNWIMJP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
CC(C)C[C@@H](C(=O)NN)N1C[C@H](O)C2(CC2)C1	1944711630	CNUHAHMKVKAFII-UWVGGRQHSA-N	241.335	-0.152	50	10	BBGE	
CC(C)(CCN1C[C@@H](O)C2(CC2)C1)C(=O)NN	1944717195	WEALXBHMBLRTAN-SECBINFHSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1CCO[C@H]1C(=O)N1CC[C@@H](B(O)O)C1	1951321670	BMIYHVRKFOMZJD-IWSPIJDZSA-N	227.069	-0.513	50	10	BBGE	
CSC[C@H](NC(C)=O)[C@H]1CC(=O)OC1=O	1951514736	RQJKJEGPXCKZQT-RQJHMYQMSA-N	231.273	-0.056	50	10	BBGE	
C[C@@H](Cl)C(=O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O	1955550542	XCWDVOHOUIVHMQ-QQGCVABSSA-N	219.668	-0.434	50	10	BBGE	
C[C@@H]1CC[C@@H](CC(=O)NNCCO)O1	1955617259	LXTWLORSOLGZJA-SFYZADRCSA-N	202.254	-0.443	50	10	BBGE	
CN(CCC(=O)NN)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21	1957685466	JZKWMFTUSANIHQ-LALMQGGXSA-N	209.293	-0.047	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@]2(C)C[C@]2(CO)C1	1960271103	AKPQMIMKUXJBJQ-FKTZTGRPSA-N	213.281	-0.931	50	10	BBGE	
NNC(=O)CCCCN1CCO[C@@H]2C[C@@H]21	1961508412	JZNUWFBMPBHIGG-DTWKUNHWSA-N	213.281	-0.380	50	10	BBGE	
Cc1cc(O[C@@H]2C[C@H]2C)ncc1B(O)O	1961696331	PILCKNBIZFCDMW-VXNVDRBHSA-N	207.038	-0.143	50	10	BBGE	
Cc1ncnc(N2CC[C@@H]2C)c1B(O)O	1961705701	HBWQABRMNOGBLL-LURJTMIESA-N	207.042	-0.937	50	10	BBGE	
O=C1NC(=O)[C@H]2CN(C(=O)OCCl)CC[C@H]12	1976104169	MSJYKQFRHNXTQC-WDSKDSINSA-N	246.650	-0.086	50	10	BBGE	
C[C@H](CCC(=O)NN)N1C[C@H]2C[C@H]1C[C@H]2O	1981217059	PRXKXVMDPGPUIS-DOLQZWNJSA-N	227.308	-0.400	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)[C@@H]2C)c1B(O)O	1981447581	PORSGMRJXUAOFA-SVRRBLITSA-N	221.069	-0.691	50	10	BBGE	
CCN(c1nc(C)ncc1B(O)O)C1CC1	1981469740	XLQYZXHFGAPLPP-UHFFFAOYSA-N	221.069	-0.546	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@@H]2[C@H](O)C[C@H]21	1984031408	OZZMVCNVOMSOIL-RXKWGBCNSA-N	227.308	-0.544	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CCOCC2)C1	1985356955	KIEZZJBYLSHVIE-UWVGGRQHSA-N	227.308	-0.275	50	10	BBGE	
Cn1nnc(C(=O)N2C[C@@H]3[C@H](CCl)[C@@H]3C2)n1	1985459302	AJHBCDDYKHYOCH-KVSKUHBBSA-N	241.682	-0.233	50	10	BBGE	
CC[S@](=O)NCCc1ccccc1B(O)O	1987607806	LZFLGQJSKCSQDT-INIZCTEOSA-N	241.121	-0.818	50	10	BBGE	
CO[C@H]1CCCN(CC(=O)NNC(C)=O)C1	1990775236	SXDHNXPZANNBCY-VIFPVBQESA-N	229.280	-0.736	50	10	BBGE	
CO[C@H](C)CCN(C)CC(=O)NNC(C)=O	1990775912	CEWFLORIPABMSY-MRVPVSSYSA-N	231.296	-0.490	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCNC[C@H]1C(=O)O	1991647883	JGENPOZWVJEKNJ-LURJTMIESA-N	246.650	-0.807	50	10	BBGE	
CN(CP(C)(C)=O)c1ccc(B(O)O)cn1	1992348510	NJAZIQCHWIACCW-UHFFFAOYSA-N	242.024	-0.222	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCC[C@](F)(CO)C1	1995937066	GESXSENPYNGISI-MWLCHTKSSA-N	247.314	-0.059	50	10	BBGE	
O=C(O)[C@H](CB(O)O)NC(=O)[C@@H]1C[C@@H]1C1CC1	1998130871	PBGQXYQPFCHFAI-PRJMDXOYSA-N	241.052	-0.925	50	10	BBGE	
CNCCC[C@H](C)N(C)CC(=O)NNC(C)=O	2002723991	FPAXOBCQNQZBNT-VIFPVBQESA-N	244.339	-0.526	50	10	BBGE	
CCC[C@H]1CCN(c2ncc(B(O)O)cn2)C1	2004912820	YOXPTVZUFJICHX-VIFPVBQESA-N	235.096	-0.217	50	10	BBGE	
OB(O)c1cncnc1N1CC2(C1)CC2(F)F	2004918540	MXTFPAZXOFQCPB-UHFFFAOYSA-N	241.006	-0.998	50	10	BBGE	
Cc1ncc(B(O)O)c(OCc2ccco2)n1	2004931135	HBRGELFGZWQBPM-UHFFFAOYSA-N	234.020	-0.363	50	10	BBGE	
NNC(=O)N[C@H]1CCCN(C2CCOCC2)C1	2005218936	XFRPLMBELAYOMF-VIFPVBQESA-N	242.323	-0.197	50	10	BBGE	
CN(C[C@H]1OCC[C@@H]1F)CC1(C(=O)NN)CC1	2009201015	DSHJVAMUQYXNGJ-DTWKUNHWSA-N	245.298	-0.185	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cccc(C(=O)NN)c1	2011371671	CZZIJTNOGDXAMU-KCJUWKMLSA-N	235.287	-0.145	50	10	BBGE	
C[C@@H]1[C@@H](O)CN1Cc1cncc(C(=O)NN)c1	2011375632	WKFOGONAIQIURW-XCBNKYQSSA-N	236.275	-0.750	50	10	BBGE	
COCCCCOc1ncc(B(O)O)cc1F	2014225820	SMACOEDIFWEYJR-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
CN(CC1[C@@H]2CCC[C@@H]12)c1ncc(B(O)O)cn1	2052468719	HSVIYEOUTVUETJ-NXEZZACHSA-N	247.107	-0.361	50	10	BBGE	
CN(C[C@@H]1[C@@H]2CCO[C@@H]21)c1ccc(B(O)O)cn1	2056383434	IOYWCYXIFRZEHP-UMNHJUIQSA-N	248.091	-0.768	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@H]2CC[C@H]1O2	2058154535	FIJLIGDGWVDDEI-JMJZKYOTSA-N	249.075	-0.904	50	10	BBGE	
COCOc1cc(C)cc(F)c1B(O)O	2059947413	CVQVXBMHZXNSNB-UHFFFAOYSA-N	214.001	-0.203	50	10	BBGE	
N#Cc1c(C=O)cc(B(O)O)cc1C(F)F	2060232106	UDSYIBJZMYUFFG-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2070845910	YOPIQYQTEZIPHF-BYTZZDKMSA-N	245.091	-0.753	50	10	BBGE	
Cc1ccc(C)c(CC(=O)NCC#CB(O)O)c1	2077482796	KCKBCCSSUHGYFA-UHFFFAOYSA-N	245.087	-0.022	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1C[C@H](O)C[C@@H](F)C1	2210691581	IOWWGWZWCHKHIL-HLTSFMKQSA-N	233.287	-0.594	50	10	BBGE	
OB(O)c1csnc1CN1CCC[C@@H]2C[C@H]21	2211141853	YLDRBQDWYUKLDV-GMSGAONNSA-N	238.121	-0.193	50	10	BBGE	
COC1CC(COCCOCC(=O)NN)C1	2212242892	NEUHOOVSGIDUES-UHFFFAOYSA-N	232.280	-0.566	50	10	BBGE	
CC(C)(CF)CNc1ncc(B(O)O)cn1	2212603764	RAIZDLSPZUGCIX-UHFFFAOYSA-N	227.048	-0.436	50	10	BBGE	
C[C@H](O)[C@@H](C)Nc1nccc(B(O)O)c1F	2212605300	BJMIDGCRSSXZAT-RITPCOANSA-N	228.032	-0.918	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN(CCO)C1CCC1	2215771447	IFRZAVINKNFPEO-GXSJLCMTSA-N	241.335	-0.151	50	10	BBGE	
CC1(C)C[C@H](O)CN1C[C@H]1CC[C@H]1C(=O)NN	2215772452	OFIXRPQBUZCUET-KXUCPTDWSA-N	241.335	-0.152	50	10	BBGE	
NNC(=O)C1(CN2CCC[C@H](O)CC2)CCC1	2216531703	FRADDDRRCWQAMG-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
C[C@]1(CO)C=CCN1CC1(C(=O)NN)CCC1	2216534374	NIFBKBMBWBENSV-LLVKDONJSA-N	239.319	-0.231	50	10	BBGE	
CC[C@@H]1COC[C@H]1Nc1cc(B(O)O)ccn1	2217172528	KXBVATXMDFTUOD-PSASIEDQSA-N	236.080	-0.402	50	10	BBGE	
OC[C@@H]1CCC[C@@H]1Nc1cc(B(O)O)ccn1	2217176800	ANAHSNLCZCSVFY-WPRPVWTQSA-N	236.080	-0.666	50	10	BBGE	
C=CCC1(Oc2cc(B(O)O)ccn2)CNC1	2217192446	XQSVTFLRGJOEDD-UHFFFAOYSA-N	234.064	-0.942	50	10	BBGE	
COCCCCN(C)c1cc(B(O)O)ccn1	2217200639	UVOBMASRJPPAJL-UHFFFAOYSA-N	238.096	-0.376	50	10	BBGE	
CC(C)(N)CCCNc1ncccc1B(O)O	2217203567	XAFCRZQSUWHEAP-UHFFFAOYSA-N	237.112	-0.309	50	10	BBGE	
CCC[C@@H]1CNCCN1CC(=O)NNC(C)=O	2217309972	HFPHPHMLBDEKHK-SNVBAGLBSA-N	242.323	-0.772	50	10	BBGE	
C[C@@H]1C[C@@H](N)CN(Cc2cccc(B(O)O)c2)C1	2220061167	AXZMCROZERRIBQ-ZWNOBZJWSA-N	248.135	-0.465	50	10	BBGE	
OB(O)c1ccnc(N2C[C@H]3C[C@H]2CC[C@@H]3O)c1	2223635566	YPHAWLSDSMYKBX-IEBDPFPHSA-N	248.091	-0.889	50	10	BBGE	
Cc1noc(CCNc2ncccc2B(O)O)n1	2223644075	DOFZGDWVNTULCK-UHFFFAOYSA-N	248.051	-0.893	50	10	BBGE	
Cc1cnc(N[C@H](C)c2cnn[nH]2)cc1B(O)O	2223649385	XUOKNHNJZAZNBF-SSDOTTSWSA-N	247.067	-0.639	50	10	BBGE	
Cc1cnc(N[C@@]23CCOC[C@H]2C3)cc1B(O)O	2223651413	BZSILWRLFBXZSC-BXKDBHETSA-N	248.091	-0.339	50	10	BBGE	
CC(C)N1CC[C@H](Nc2cc(B(O)O)ccn2)C1	2223668608	ZALYHSHIMJAGJF-NSHDSACASA-N	249.123	-0.344	50	10	BBGE	
OB(O)c1ccc(N[C@]23CCC[C@@H]2CNC3)nc1	2223669062	FPPVNNGZZPYAQC-SKDRFNHKSA-N	247.107	-0.685	50	10	BBGE	
OB(O)c1cccnc1N[C@@]12CCC[C@@H]1CNC2	2223671383	LBEMCCCWHLCOMX-BXKDBHETSA-N	247.107	-0.685	50	10	BBGE	
C[C@@H](CF)NC(=O)C1(B(O)O)CCC1	2241471020	FQRVTQLZTKRJDP-LURJTMIESA-N	203.022	-0.142	50	10	BBGE	
O=C(NC[C@@H]1CCC=CO1)C1(B(O)O)CC1	2243359358	RMLYJKWNNZXINL-QMMMGPOBSA-N	225.053	-0.198	50	10	BBGE	
O=C(NCC1(O)CCC1)C1CC(B(O)O)C1	2243391771	OBQYXIKAACGBKU-UHFFFAOYSA-N	227.069	-0.729	50	10	BBGE	
C=CCN(CCOC)C(=O)[C@H]1C[C@@H]1B(O)O	2243396197	IYBYBZNYYVHQEI-IUCAKERBSA-N	227.069	-0.490	50	10	BBGE	
CNCC[C@H](C)NC(=O)[C@H]1C[C@H](B(O)O)C1	2243397191	XANCVJCALRGJJV-CIUDSAMLSA-N	228.101	-0.646	50	10	BBGE	
O=C(NC[C@@H](O)C1CCC1)C1(B(O)O)CC1	2243409918	RBKXIPUZUHDCRL-MRVPVSSYSA-N	227.069	-0.729	50	10	BBGE	
C[C@@H](CC#N)NC(=O)c1cscc1B(O)O	2243411286	QYIHTARVDFBTGT-LURJTMIESA-N	238.077	-0.540	50	10	BBGE	
CCN(C(=O)C1(B(O)O)CC1)[C@H](C)COC	2243411704	YTGNHGAMHINNBD-MRVPVSSYSA-N	229.085	-0.123	50	10	BBGE	
C=CC(=O)N(C)[C@H](C)c1nscc1B(O)O	2243666894	CZOYGRKHOCHNSE-ZCFIWIBFSA-N	240.093	-0.472	50	10	BBGE	
CCOC(=O)CCC(=O)NCC=CB(O)O	2243685495	VXIVNSUOZXSOLZ-UHFFFAOYSA-N	229.041	-0.986	50	10	BBGE	
NNC(=O)C(F)(F)COC1(C2CC2)COC1	2245005464	WIRRNHXIMGDRIT-UHFFFAOYSA-N	236.218	-0.193	50	10	BBGE	
O=C(NCC[C@H]1CCO1)C1(B(O)O)CCC1	2246206257	GLDFXCGKQVVNKG-QMMMGPOBSA-N	227.069	-0.321	50	10	BBGE	
COc1ccc(B(O)O)c(OCC(C)(F)F)n1	2247234458	BXESVHKIWXUGQV-UHFFFAOYSA-N	247.006	-0.196	50	10	BBGE	
CC(C)(CCF)NC(=O)c1ccoc1B(O)O	2247737857	LBIMVKIRCYDLTI-UHFFFAOYSA-N	243.043	-0.173	50	10	BBGE	
C[C@H](NC(=O)C#CB(O)O)c1ccc(N)cc1	2247738276	PMFAVUVGJYVLPQ-QMMMGPOBSA-N	232.048	-0.539	50	10	BBGE	
O=C(NOCC1CCC1)c1cc(B(O)O)c[nH]1	2247740116	GIBBBPBFEKOPME-UHFFFAOYSA-N	238.052	-0.844	50	10	BBGE	
CCC[C@@H](C)NC(=O)c1c(B(O)O)cnn1C	2247748725	IFZUYCGINHIYOE-SSDOTTSWSA-N	239.084	-0.982	50	10	BBGE	
O=C(N[C@H]1CCNCC12CC2)C1(B(O)O)CC1	2247754773	FRVQIMIFEFVLLC-QMMMGPOBSA-N	238.096	-0.748	50	10	BBGE	
O=C(N1CCN2CCC[C@H]2C1)C1(B(O)O)CC1	2247756918	OYUNTGLAAYKGPU-VIFPVBQESA-N	238.096	-0.700	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]1F)c1occc1B(O)O	2247757690	RYIHZIVHGKOZIP-JGVFFNPUSA-N	241.027	-0.420	50	10	BBGE	
O=C(c1occc1B(O)O)N1CCC[C@@H](F)C1	2247758388	VHXHEFZNXUTDSE-SSDOTTSWSA-N	241.027	-0.467	50	10	BBGE	
C[C@@H]1CC[C@@H](C)N1C(=O)c1n[nH]cc1B(O)O	2247784568	XIGYMCNNHCAYNR-RNFRBKRXSA-N	237.068	-0.898	50	10	BBGE	
CCN(C)C(=O)c1c(OC)cccc1B(O)O	2247788940	NKNYVSVTTMWKSW-UHFFFAOYSA-N	237.064	-0.533	50	10	BBGE	
Cc1cc(C(=O)NCC2(C)CC2)oc1B(O)O	2247789087	PQWRUZVGQHKCHU-UHFFFAOYSA-N	237.064	-0.202	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC2(CC1)COC2	2247796506	AEVDIVWJMISIRV-IUCAKERBSA-N	239.080	-0.512	50	10	BBGE	
CC(C)C[C@](C)(O)CNC(=O)[C@H]1C[C@H]1B(O)O	2247798379	SVVZLHIWHOVLOZ-NGZCFLSTSA-N	243.112	-0.237	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)c1nccn1C	2247806850	GOLKEDYGBLEDCN-FXQIFTODSA-N	237.068	-0.540	50	10	BBGE	
O=C(NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2)[C@H]1C[C@@H]1B(O)O	2247809800	RKMJTIIISHWKRJ-QDOZQVFPSA-N	235.092	-0.133	50	10	BBGE	
NC1CCC(CNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247899144	KSTBEKYGHUHFLS-QLEHZGMVSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC1([C@@H]2CCNC2)CC1)[C@@H]1C[C@H]1B(O)O	2247899553	OBBARVLFVGXFKL-IWSPIJDZSA-N	238.096	-0.892	50	10	BBGE	
Cc1ncccc1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247900359	WFIWOAHMQDDVPN-UWVGGRQHSA-N	234.064	-0.131	50	10	BBGE	
CC[C@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247900645	YOYFZLZWBWRPMR-WCABBAIRSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC[C@@]2(CCN2)C1	2247904639	QVDIRQRUUFPZPR-NGZCFLSTSA-N	238.096	-0.796	50	10	BBGE	
C[C@]1(O)CC[C@@H](NC(=O)C2CC(B(O)O)C2)C1	2247906315	XSXMUOZVTDCDOW-CKQMPDBCSA-N	241.096	-0.341	50	10	BBGE	
O=C(C(F)F)N1CCc2cccc(B(O)O)c21	2248415350	YZMQPNDYKBCZRN-UHFFFAOYSA-N	241.002	-0.479	50	10	BBGE	
O=C(O)[C@@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CCC1	2248573952	LWMUSBYJGPLIJO-RNJXMRFFSA-N	241.052	-0.781	50	10	BBGE	
C#CCOC[C@@H](C)Oc1cc(B(O)O)ccn1	2253015754	BVQHRUDBINUIIH-SECBINFHSA-N	235.048	-0.822	50	10	BBGE	
CN1CC[C@](C)(COCCOCC(=O)NN)C1	2253316392	FEQQBHQUENKNEQ-NSHDSACASA-N	245.323	-0.649	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@@H]2C1)c1coc(B(O)O)c1	2255457846	JOUVSAUEHXZKSD-DIYOJNKTSA-N	249.075	-0.122	50	10	BBGE	
C[C@]12C[C@@H]1CN(C(=O)c1ccncc1B(O)O)C2	2255459591	IYOKCUVNKHLAOA-PRHODGIISA-N	246.075	-0.757	50	10	BBGE	
O=C(c1coc(B(O)O)c1)N1C[C@H]2C[C@H]1[C@H]1C[C@@H]21	2255728812	LWCZWFMIFPZALG-CUJWVEQBSA-N	247.059	-0.560	50	10	BBGE	
O=C(c1cncc(B(O)O)c1)N1CCC[C@H]2C[C@H]21	2255735506	VKUWSDVVVMQQIG-GZMMTYOYSA-N	246.075	-0.614	50	10	BBGE	
O=C(c1occc1B(O)O)N1CC[C@H](C2CC2)C1	2255741337	LDYKZTHGHWZILI-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
C[C@]1(CNC(=O)c2cc(B(O)O)n[nH]2)C=CCC1	2255762554	XOVJYUSWRZWJIR-NSHDSACASA-N	249.079	-0.824	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CCC[C@H]21)c1cc(B(O)O)n[nH]1	2255762797	AUKGVODIJAEPBO-XLPZGREQSA-N	249.079	-0.992	50	10	BBGE	
C=C[C@H]1COCCN1c1cc(B(O)O)c(C)cn1	2257597979	YRQRCHMGCJDHJR-JTQLQIEISA-N	248.091	-0.539	50	10	BBGE	
CC1(C)[C@@H]2C[C@H]2CN1C(=O)c1cocc1B(O)O	2258125847	AXDXNVSXHRJNGP-IONNQARKSA-N	249.075	-0.170	50	10	BBGE	
C#CC[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2258944688	WSQRIPPPSWQVQL-SNVBAGLBSA-N	247.059	-0.413	50	10	BBGE	
C=CC1CN(C(=O)c2cc(B(O)O)ccc2F)C1	2261397306	HBQNBPXDQBHSRR-UHFFFAOYSA-N	249.050	-0.237	50	10	BBGE	
CN[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC12CC2	2298368743	VRNVITFBVMMHTE-VGMNWLOBSA-N	238.096	-0.940	50	10	BBGE	
O=C(NC1([C@H]2CCCO2)CC1)[C@@H]1C[C@H]1B(O)O	2298371918	ZJQVHXMQBISVSO-IWSPIJDZSA-N	239.080	-0.323	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21	2298375101	YVBOIOBHIXHRTP-APLZJWDSSA-N	233.076	-0.495	50	10	BBGE	
N[C@H]1CN(C(=O)[C@@H]2C[C@@H]2B(O)O)CC(F)(F)C1	2298375684	VNOHBABYZZDAKT-QYNIQEEDSA-N	248.038	-0.956	50	10	BBGE	
CN(CCC[C@@H]1C[C@H]1C(=O)NN)C1(CO)CC1	2300371051	MIPILUMGDHUXSM-NXEZZACHSA-N	241.335	-0.151	50	10	BBGE	
O=C(NC[C@@]12CC[C@@H](C1)NC2)C1(B(O)O)CC1	2300827675	DDDKNBSMLIECEA-WPRPVWTQSA-N	238.096	-0.748	50	10	BBGE	
O=Cc1ccc(OC(CF)CF)cc1B(O)O	2301423720	WQLNFFMBWLMWDI-UHFFFAOYSA-N	244.002	-0.135	50	10	BBGE	
CCN(CC)C(=O)[C@H](C)N1CC[C@@H](B(O)O)C1	2303099583	PMLHPIHCLSGHIT-VHSXEESVSA-N	242.128	-0.208	50	10	BBGE	
CC[C@](C)(CN1CCO[C@H](C#N)C1)C(=O)NN	2303409696	FVNAQKBFRKVOTD-MWLCHTKSSA-N	240.307	-0.383	50	10	BBGE	
COC(C)(C)C1(Cn2ccc(B(O)O)n2)CC1	2303760771	XFHFNTPZWBHJTL-UHFFFAOYSA-N	238.096	-0.232	50	10	BBGE	
OB(O)c1cc(N2C[C@@H]3CCC[C@@H]32)ncc1F	2303837335	YRQNPSDCFOHGBD-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
OB(O)c1cc(OC[C@@H]2CCOC2)ncc1F	2303859681	YOSCWHNNVLEFCF-SSDOTTSWSA-N	241.027	-0.684	50	10	BBGE	
Cc1cccc([N+](=O)[O-])c1NC(=O)C#CB(O)O	2321105436	PIWWIPVHOCWTSW-UHFFFAOYSA-N	248.003	-0.143	50	10	BBGE	
Nc1c(NNC(=O)c2ccccn2)nc[nH]c1=O	40794217	FVDSESAIOZEAST-UHFFFAOYSA-N	246.230	-0.496	50	10	BBGE	
CCN1CCN([C@H](C(=O)NN)C(C)C)CC1	82466001	ZDYWCGIBWCLUGC-JTQLQIEISA-N	228.340	-0.362	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC[C@@H]1CO	82470215	KSMBTXQMHCNYRQ-RKDXNWHRSA-N	215.297	-0.542	50	10	BBGE	
O=C1[C@@H](Br)CCN1C[C@H](O)CO	85248949	UNPSIGZHVIWQRN-WDSKDSINSA-N	238.081	-0.665	50	10	BBGE	
NNC(=O)c1cn(CCOc2cccnc2)nn1	104118155	UGCPFNJDWDVIRK-UHFFFAOYSA-N	248.246	-0.644	50	10	BBGE	
C[C@@H](Cl)C(=O)NC(=O)NCC[S@@](C)=O	135300178	KWIQWQWZZXOHLA-YYNRFHATSA-N	240.712	-0.182	50	10	BBGE	
COc1ccc(=O)n(C[C@H](Cl)C(=O)O)n1	157675144	WCYGVMMKGPGYLK-YFKPBYRVSA-N	232.623	-0.056	50	10	BBGE	
COC(=O)NNC(=O)c1ccc2nnn(C)c2c1	158744255	DRDGPYWGQXAWRF-UHFFFAOYSA-N	249.230	-0.031	50	10	BBGE	
CC(C)(SCCB(O)O)[C@@H](N)C(=O)O	215852935	LHHSOSAMOIDZGJ-YFKPBYRVSA-N	221.087	-0.617	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC[C@@H](O)C1	222182077	PYAGYWKIXMNYDV-XHNCKOQMSA-N	215.297	-0.542	50	10	BBGE	
O=C1NCCC[C@@H]1NS(=O)(=O)CCCl	232299311	OGCAZSUDKUISOC-LURJTMIESA-N	240.712	-0.577	50	10	BBGE	
CN1CCC[C@H](C[C@H](N)C(=O)N(C)N)C1	259040596	KRSOKMUAOSOJLQ-BDAKNGLRSA-N	214.313	-0.622	50	10	BBGE	
COC[C@@H]1CCCN([C@H](COC)C(=O)NN)C1	300144188	XLGSIVQTFFZHRA-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O	300979770	UCEFAHCQZSGDSX-PTPLXHBWSA-N	225.292	-0.933	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@@H](CO)C1	306199140	RDARYQNEIXMNDR-CSMHCCOUSA-N	204.657	-0.598	50	10	BBGE	
OC[C@H]1CN(c2nnc(CCl)o2)C[C@@H]1O	306320305	KCZZTOAVCARMHD-RITPCOANSA-N	233.655	-0.402	50	10	BBGE	
Nc1nc(CCl)nc(N2CCNC(=O)C2)n1	309295911	KYFLARJWLGWQOA-UHFFFAOYSA-N	242.670	-0.871	50	10	BBGE	
CC(C)[C@@H]1CN(C(=O)C(=O)NN)CCCO1	378803985	WQRSEHKVPHFRBD-QMMMGPOBSA-N	229.280	-0.750	50	10	BBGE	
NC(=S)NNC(=O)c1nc(Cl)cnc1N	380293028	BZARFEPDXWOPNM-UHFFFAOYSA-N	246.683	-0.810	50	10	BBGE	
C[C@@H](N(C)CCC(=O)NN)C(C)(C)O	382972935	RERVPDTZIXOPTN-SSDOTTSWSA-N	203.286	-0.542	50	10	BBGE	
CCCC1(O)CN(CCCC(=O)NN)C1	384135080	LZPUHBUMHBXWKO-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
CC(C)(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H]1CO2	387594995	GUSKPFQBBCPOFA-YIZRAAEISA-N	227.308	-0.136	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@H]2CCC[C@H]21	393469878	FNUBIIQLGMBEPZ-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
CC(C)(C)[C@H](SC[C@@H](O)CO)C(=O)NN	396043740	UIBOANYPIIGKEP-NKWVEPMBSA-N	236.337	-0.523	50	10	BBGE	
Nc1cc2c(CO)csc2cc1B(O)O	396251083	SNVSLZKTCZQGQY-UHFFFAOYSA-N	223.062	-0.344	50	10	BBGE	
C[C@@H](C[S@](C)=O)N(C)CCCC(=O)NN	399992082	UUYIJHAAUVMHIB-AYVTZFPOSA-N	235.353	-0.545	50	10	BBGE	
CC(C)(C)C(=O)Nc1cccc(B(O)O)n1	404974816	AJLJJMXBMLAAJU-UHFFFAOYSA-N	222.053	-0.254	50	10	BBGE	
CCNC(=O)N(C)Cc1ccccc1B(O)O	405093340	VQIKFFAEAYXJBE-UHFFFAOYSA-N	236.080	-0.472	50	10	BBGE	
CCCNC(=O)Nc1ccnc(B(O)O)c1	405161257	GHLCZPXPZNIGFX-UHFFFAOYSA-N	223.041	-0.707	50	10	BBGE	
C[C@H]1CN(Cc2cc(C(=O)NN)no2)C(=O)O1	688531061	NJQNKGCMYUPXJE-YFKPBYRVSA-N	240.219	-0.381	50	10	BBGE	
Cn1nccc1C(=O)N1CCC(O)(C#N)CC1	692114524	OORDDEHIBYXAEA-UHFFFAOYSA-N	234.259	-0.089	50	10	BBGE	
COC(=O)[C@@](C)(O)CN1CCC(O)(C#N)CC1	692178642	QCMDKTYTRZINRJ-JTQLQIEISA-N	242.275	-0.739	50	10	BBGE	
O=C(NCCc1nn[nH]n1)OCCl	692863360	JEEWFXFLCQLQKV-UHFFFAOYSA-N	205.605	-0.335	50	10	BBGE	
Cc1cccc(O[C@@H]2CCOC2)c1B(O)O	694967177	LDZHHZRLQRCICL-SECBINFHSA-N	222.049	-0.157	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1cccnn1	700700049	IQTSGYUDBCQACF-SECBINFHSA-N	223.280	-0.323	50	10	BBGE	
N#CC1(O)CCN(c2cc(CO)ncn2)CC1	705864005	IALOZJJXPRTXPT-UHFFFAOYSA-N	234.259	-0.176	50	10	BBGE	
COC[C@@](C)(CCl)NC(=O)c1nnn(C)n1	716840158	PDMRCXRLGFSBFE-MRVPVSSYSA-N	247.686	-0.416	50	10	BBGE	
Cc1nnc(CNS(=O)(=O)CCl)o1	718890160	QAMBQJIBCYRSHR-UHFFFAOYSA-N	225.657	-0.006	50	10	BBGE	
Cc1sccc1CC(=O)NNC(=O)CO	788004698	RRVRLSDHHFWACN-UHFFFAOYSA-N	228.273	-0.261	50	10	BBGE	
CCOC(=O)/C(C#N)=C\NC1COCCOC1	793671987	FHWBNILBXVZFHX-TWGQIWQCSA-N	240.259	-0.038	50	10	BBGE	
Cc1nc(C(=O)NNC(=O)[C@H]2CCCO2)co1	817214718	HQLJOKJEIVETGH-MRVPVSSYSA-N	239.231	-0.077	50	10	BBGE	
Nc1ncc(C=NNC(=O)C2CCC2)c(N)n1	842526695	ATUUNYNIHVOZLS-UHFFFAOYSA-N	234.263	-0.109	50	10	BBGE	
CCO/C=C(\C#N)C(=O)NC[C@@](C)(CO)OC	848267877	VHURBWMXUAUHKP-LAHYYIKRSA-N	242.275	-0.056	50	10	BBGE	
CC[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CO1	863151070	GXMFGVQFIBAATQ-IUCAKERBSA-N	239.275	-0.064	50	10	BBGE	
C/C=C\[C@@H](O)C(=O)NNC(=O)NCC1CC1	900384417	IDTGSFHQDDFFHR-YAJNLLPGSA-N	227.264	-0.336	50	10	BBGE	
COc1nn(C)cc1C(=O)NNc1ncccn1	1136160364	DDXUEYAYSVYSLL-UHFFFAOYSA-N	248.246	-0.024	50	10	BBGE	
C#CCO[C@H](C)C(=O)NNc1ccncn1	1141131114	OWWLRARQVRBVPA-MRVPVSSYSA-N	220.232	-0.042	50	10	BBGE	
C=C[C@@](C)(O)C(=O)NNC(=O)c1cccnc1	1160403750	RDODMMSDUIXITM-LLVKDONJSA-N	235.243	-0.220	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)CCN1CC[C@@H](F)C1	1452352933	WEXWRARWCSSMJY-VHSXEESVSA-N	247.314	-0.236	50	10	BBGE	
N#C[C@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1	1527215900	XZHFIQZRWCNHKP-HLTSFMKQSA-N	237.259	-0.137	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccnc(CO)c1	1570738791	ONYFTRNOMAQZBR-QMMMGPOBSA-N	239.275	-0.469	50	10	BBGE	
CCNC(=O)NNC(=O)c1cc(C=O)n(C)n1	1597672231	QZKFJTGGYLITQJ-UHFFFAOYSA-N	239.235	-0.804	50	10	BBGE	
CN(NC(=O)CSC(F)F)C(N)=O	1632039768	VJVLTGOWMPPHIP-UHFFFAOYSA-N	213.209	-0.016	50	10	BBGE	
CCO/C=C(\C#N)C(=O)Nc1nnn(C)n1	1633295789	TYSFOYUZJFYMQF-AATRIKPKSA-N	222.208	-0.407	50	10	BBGE	
O=C(NNc1cccnc1Cl)C1(O)COC1	1637667291	VPTAOVHDTYOQIU-UHFFFAOYSA-N	243.650	-0.061	50	10	BBGE	
NC(=O)NC(=O)[C@@H]1C[C@H]1Br	1877355646	DXZCIEJLXXZHGT-PWNYCUMCSA-N	207.027	-0.035	50	10	BBGE	
NC[C@H](O)C(=O)NC[C@H]1C[C@H]1Br	1881348962	LMZCPXIUDQEKLM-PBXRRBTRSA-N	237.097	-0.794	50	10	BBGE	
NCCN(CCN)C(=O)[C@H]1C[C@@H]1Cl	1883646239	WYMDBVSJFOOSSB-BQBZGAKWSA-N	205.689	-0.640	50	10	BBGE	
COC(=O)[C@H](CCCl)NS(C)(=O)=O	1884091266	XQRXAIZRFPSGKU-YFKPBYRVSA-N	229.685	-0.294	50	10	BBGE	
NC[C@H](O)CCC(=O)NC1CC(Cl)C1	1884410121	OJSUZZZECPFRKM-KAVNDROISA-N	220.700	-0.028	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)C(=O)NN)CS1	1887963436	WMBTYMMCACOHLL-NTSWFWBYSA-N	217.294	-0.671	50	10	BBGE	
C[C@@H](CO)CN1CC[C@@](C)(B(O)O)C1	1891586332	RXLHVNPMRIEGEL-RKDXNWHRSA-N	201.075	-0.446	50	10	BBGE	
C[C@]1(O)CCN(C(=O)CCl)C[C@]1(C)O	1891722476	WIQYQRWYSQIGJL-IUCAKERBSA-N	221.684	-0.041	50	10	BBGE	
C=C(CN(CC)S(=O)(=O)CC)B(O)O	1895190386	DMIGPCINCVEHCL-UHFFFAOYSA-N	221.087	-0.774	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]1F	1895379490	URVTWVDLJVSKLN-RKDXNWHRSA-N	223.012	-0.337	50	10	BBGE	
NC(=O)NNC(=O)[C@@H]1COC2(CCC2)CO1	1901046086	SLDQUJSKXQKXJC-LURJTMIESA-N	229.236	-0.976	50	10	BBGE	
C[C@H]1CCC[C@]1(N)C(=O)NN(C)S(C)(=O)=O	1901378292	YTKCXGXYLQHJCT-IONNQARKSA-N	249.336	-0.574	50	10	BBGE	
COCc1ccc(CNC(=O)C(=O)NN)s1	1902451858	LUFZFGPWOGXWEZ-UHFFFAOYSA-N	243.288	-0.499	50	10	BBGE	
C#CCOCC(=O)N1CC[C@@](C)(B(O)O)C1	1902512376	MQLFJQLLKFMNIS-SNVBAGLBSA-N	225.053	-0.898	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CC[C@@H]32)c(F)c1	1907079318	GKRDPUXVWQMWHX-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
C[C@H](CN1C(=O)CSC1=O)C(=O)NN	1912215120	FDSPAYRVAUWVSK-SCSAIBSYSA-N	217.250	-0.692	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC2(CCOC2)C1	1915582499	HSEQJLPTJCGPDC-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@@H]2C[C@@H]21	1917125107	TUJDQLGPRJOJIX-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
C[C@H](C(=O)NN)N1CC[C@]2(CCC[C@H]2O)C1	1918418369	GIYAEZVLFDWAQE-FXPVBKGRSA-N	227.308	-0.398	50	10	BBGE	
CN(C)[C@@H]1COC[C@@H]1NC(=O)CCl	1922089405	PBYXWOGOMNEULD-NKWVEPMBSA-N	206.673	-0.330	50	10	BBGE	
NNC(=O)N1C[C@@H](O)C[C@]2(CCCO2)C1	1924295180	JDGFOYBDKDLOKK-IONNQARKSA-N	215.253	-0.815	50	10	BBGE	
Cc1nc(SC[C@@H]2C[C@@H]2C(=O)NN)n[nH]1	1927918787	XHQGGZLRSWTHJC-WDSKDSINSA-N	227.293	-0.169	50	10	BBGE	
O=C(NCB(O)O)C1CC[C@H]2C[C@@H]2CC1	1928211003	OBMMCGBQJPKSLQ-IUCAKERBSA-N	211.070	-0.059	50	10	BBGE	
CC1(C)CO[C@@H](CC(=O)NNCCO)C1	1929834694	GGDRPZXVECBXCV-QMMMGPOBSA-N	216.281	-0.195	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@@H]1CCOC1	1931260130	GCJRWMADPDQYBL-MRVPVSSYSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CN1CC[C@]1(C)CO)C(=O)NN	1932967362	MFZINYLXZIGDTR-VXNVDRBHSA-N	201.270	-0.931	50	10	BBGE	
NNC(=O)C(=O)NCC12CCC(CC1)CO2	1936156134	DFZLDPOGRIECQV-UHFFFAOYSA-N	227.264	-0.948	50	10	BBGE	
CN1CCCCCN(CC(=O)NN)CCC1	1936245909	VBLQJCVLUVKGLB-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN1C[C@@H]1C[C@@H]1C(=O)NN	1939641256	MNMKSISFCOCGLF-KATARQTJSA-N	227.308	-0.685	50	10	BBGE	
C[C@@H](O)C1CCN(C[C@@H]2C[C@H]2C(=O)NN)CC1	1941095152	SXEMZBAGZQWMOM-DVVUODLYSA-N	241.335	-0.295	50	10	BBGE	
C[C@H]1CCN(CC(C)(C)C(=O)NN)[C@@H]1C(N)=O	1942615759	KKTTVCPLXPUCAV-YUMQZZPRSA-N	242.323	-0.802	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CCC[C@](O)(COC)C1	1946461517	XUXUULLNIZGVIE-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@H](O)[C@H]2COC[C@@H]21	1955240620	OWHMNYPLXBFHRP-JBDRJPRFSA-N	216.668	-0.191	50	10	BBGE	
NNC(=O)CCN1CC(F)(C2CC2)C1	1956911957	NCOVLMGYBWDQIJ-UHFFFAOYSA-N	201.245	-0.200	50	10	BBGE	
NNC(=O)CCCN1CC([C@H](F)CO)C1	1957728940	AKFNXUZGLUHMFI-MRVPVSSYSA-N	219.260	-0.981	50	10	BBGE	
CON([C@H](C)CC(=O)NN)[C@@H]1CCOC1	1960123222	BBMSYOYBTHPABG-HTQZYQBOSA-N	217.269	-0.593	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CC([S@](C)=O)C1	1961563023	GLZJEHZXGHWUFT-SOBLTARESA-N	233.337	-0.936	50	10	BBGE	
CC[C@@H](C)N(C)c1ncncc1B(O)O	1961689500	AADPEUFWQDVNTR-SSDOTTSWSA-N	209.058	-0.609	50	10	BBGE	
O=C(C(F)F)N1CCC(B(O)O)CC1	1971372646	LFOQEJZTYSDOHW-UHFFFAOYSA-N	206.985	-0.283	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(F)(F)C[C@@]1(C)CO	1976215617	VPPYNXJXWJTIOE-SVRRBLITSA-N	237.250	-0.543	50	10	BBGE	
C=CCS(=O)(=O)N1C[C@@H](C)OC[C@H]1N=C=O	1979162977	JKMOSEVZBSCGPM-BDAKNGLRSA-N	246.288	-0.115	50	10	BBGE	
C[C@@H]1CN([C@@H](C)C(=O)NN)CC[C@H]1CCO	1981406643	GVRWUWWZRFKELX-UTLUCORTSA-N	229.324	-0.295	50	10	BBGE	
CC(C)C1CN(c2ncncc2B(O)O)C1	1981408965	HHONUPYZIQCAIB-UHFFFAOYSA-N	221.069	-0.751	50	10	BBGE	
CO[C@@]1(C)CCN(CC(=O)NNC(C)=O)C1	1990774422	ISCSFWONSBDUEH-JTQLQIEISA-N	229.280	-0.736	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCN2C[C@H](O)C[C@@H]2C1	1991674081	ARMXEFHVAPKGGQ-KYXWUPHJSA-N	244.722	-0.109	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCCC1(CO)CO	1991705304	CLPWCBQSWXOEHU-NSCUHMNNSA-N	247.678	-0.346	50	10	BBGE	
C=C(CN1CCC[C@]12CC[S@](=O)C2)B(O)O	1992152271	CHEZVHUJHSDGFH-HWPZZCPQSA-N	243.137	-0.458	50	10	BBGE	
C=C(CN(C)[C@@H]1CCN(CCC)C1)B(O)O	1992160281	VLJUFXINMRBBKH-LLVKDONJSA-N	226.129	-0.029	50	10	BBGE	
C[C@H]1CCC[C@@H](C(=O)NCC#CB(O)O)C1	1992167354	ITWOBWXVTPXGAY-VHSXEESVSA-N	223.081	-0.056	50	10	BBGE	
CC(=O)NNC(=O)CN1O[C@H]2C=C[C@H]1CC2	1992323361	GEGLAETWMZJSSB-IUCAKERBSA-N	225.248	-0.512	50	10	BBGE	
Cn1cnc2cccc(C(=O)NCB(O)O)c21	1995780539	ZWEJUUKQLYLNIP-UHFFFAOYSA-N	233.036	-0.685	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CCC(F)(CO)CC1	1995936923	DLIGTBHRTBJAOO-SECBINFHSA-N	247.314	-0.203	50	10	BBGE	
CCCc1ocnc1CN(C)C(=O)C(=O)NN	1997727639	TUZHXABNFWNNKH-UHFFFAOYSA-N	240.263	-0.425	50	10	BBGE	
NNC(=O)CCCN1CCOCCC12COC2	2001490272	KZPNRHILGBPTRJ-UHFFFAOYSA-N	243.307	-0.752	50	10	BBGE	
CC1(C)CN(c2ccc(B(O)O)cn2)CCO1	2004917708	DSBDWXJNIIGOQQ-UHFFFAOYSA-N	236.080	-0.623	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CC[C@H]2C[C@H]21	2004930143	RJQHRUYBCQCQDB-IQJOONFLSA-N	232.092	-0.004	50	10	BBGE	
CC[C@]12C[C@@H]1CN(c1ccncc1B(O)O)C2	2004939085	JYYULVSTWRBLCD-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
CC1(C)CO[C@H](CN2CC(=O)OC(=O)C2)CO1	2007704182	VVJRMXKALDBFOG-MRVPVSSYSA-N	243.259	-0.434	50	10	BBGE	
CC(C)(CCN1CC[C@@H]2[C@H](O)C[C@H]21)C(=O)NN	2008725796	DEAJDESPDCLLCL-IVZWLZJFSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)C[C@]1(O)CCOC1	2013284962	TZXVFRPQHNVJDZ-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014825791	SQPFVYSDHFDYNH-RKDXNWHRSA-N	242.323	-0.693	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2	2016372057	XCIBVNIEFRBJMS-PMXSCFQLSA-N	239.319	-0.423	50	10	BBGE	
CN(Cc1ccn2nccc2c1)C(=O)C(=O)NN	2048750538	WIQLVCIRYFPAEK-UHFFFAOYSA-N	247.258	-0.717	50	10	BBGE	
CN(c1ccc(B(O)O)cn1)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2052463201	SYCDEXNOSNFVKB-RNFDROQYSA-N	244.103	-0.148	50	10	BBGE	
CCc1cc([N+](=O)[O-])c(B(O)O)cc1OC	2060066277	QYUSRMQEDABNAJ-UHFFFAOYSA-N	225.009	-0.154	50	10	BBGE	
OB(O)c1csnc1CN1CCCC12CC2	2211139634	HCDPNDHHXNJXGC-UHFFFAOYSA-N	238.121	-0.049	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1	2211150165	CNADQEJMAJSCBE-LOLPMWEVSA-N	244.722	-0.348	50	10	BBGE	
OB(O)c1cnccc1OC1C[C@H]2C[C@@H]2C1	2212294832	XLEMJFOOXOCQGX-HTQZYQBOSA-N	219.049	-0.061	50	10	BBGE	
CN[C@H](C)COc1cc(B(O)O)c(C)cn1	2212599632	LQRHXBTWKOSKOA-MRVPVSSYSA-N	224.069	-0.943	50	10	BBGE	
C=CCC1(Nc2ncc(B(O)O)cn2)CC1	2212610122	CQGQHFONPDAAPN-UHFFFAOYSA-N	219.053	-0.323	50	10	BBGE	
CN(C[C@@H]1CC[C@H](C(=O)NN)C1)[C@H]1C[C@@H](O)C1	2212783130	NMZVCDFGCHNXCB-YTWAJWBKSA-N	241.335	-0.152	50	10	BBGE	
C[C@@]12C[C@@H](CO1)N(C[C@@H]1CC[C@H]1C(=O)NN)C2	2215771212	GVVUEDTZJIPXHB-GUDRVLHUSA-N	239.319	-0.134	50	10	BBGE	
NNC(=O)C1(CN2CC=C[C@@H](O)C2)CCCC1	2216871215	GMVWOPGTJDZHFD-SNVBAGLBSA-N	239.319	-0.231	50	10	BBGE	
CC(C)[C@@H](CN)COc1ncccc1B(O)O	2217165840	BQYDKCIHLQJLOJ-VIFPVBQESA-N	238.096	-0.629	50	10	BBGE	
NC[C@]1(F)C[C@H](Nc2ccc(B(O)O)cn2)C1	2217172802	MRGSFFFTGMAXSO-CZMCAQCFSA-N	239.059	-0.997	50	10	BBGE	
C[C@]1(CO)CCCN1c1cc(B(O)O)ccn1	2217176138	RULPMOYRIXWAGM-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
N[C@@H]1CCCC[C@@H]1Nc1ncccc1B(O)O	2217177710	MKCIWCUFFNIIOT-ZJUUUORDSA-N	235.096	-0.557	50	10	BBGE	
CN[C@@H](C)CCOc1cc(B(O)O)c(C)cn1	2217180694	JSDTYYPSRGFKNZ-VIFPVBQESA-N	238.096	-0.553	50	10	BBGE	
N[C@@H]1CCC[C@@H]1CNc1ncccc1B(O)O	2217183766	KYNPUCAFKQVHJS-PSASIEDQSA-N	235.096	-0.699	50	10	BBGE	
OCC1(Nc2ccc(B(O)O)cn2)CCCC1	2217195329	IQYFNWMQHXEORQ-UHFFFAOYSA-N	236.080	-0.522	50	10	BBGE	
CC[C@@H](CNc1cc(B(O)O)ccn1)N(C)C	2217195589	LQVXWKKZSAMLTH-JTQLQIEISA-N	237.112	-0.487	50	10	BBGE	
Cc1cnc(N2CCN[C@@H](C)CC2)cc1B(O)O	2223648504	MDDGRWURFJWKQP-JTQLQIEISA-N	249.123	-0.742	50	10	BBGE	
CSCCNC(=O)C1CC(B(O)O)C1	2241475293	VJXHVJIFRJYEOR-UHFFFAOYSA-N	217.099	-0.281	50	10	BBGE	
COC(=O)c1c(B(O)O)sc(C)c1C	2241493378	MLTVVNWPTFFPNX-UHFFFAOYSA-N	214.051	-0.169	50	10	BBGE	
CCOC(=O)c1cc(C)sc1B(O)O	2241493878	RQPXPEHWRRWWJJ-UHFFFAOYSA-N	214.051	-0.087	50	10	BBGE	
CO[C@@H](CCl)CN=c1nn[nH]n1C	2242441589	WBDKKJQLRROEMQ-YFKPBYRVSA-N	205.649	-0.702	50	10	BBGE	
CCCC#CCOc1ncc(B(O)O)cn1	2242801098	IQIUTYHALUTGHI-UHFFFAOYSA-N	220.037	-0.661	50	10	BBGE	
O=C(NCC1(F)CC1)c1cscc1B(O)O	2243347780	PPNPWOSZDBDSEH-UHFFFAOYSA-N	243.068	-0.340	50	10	BBGE	
C#CCNC(=O)c1ccc(B(O)O)c(C)c1	2243366738	IAWCNTFQEOMRIG-UHFFFAOYSA-N	217.033	-0.962	50	10	BBGE	
CN(C)CCCN(C)C(=O)[C@H]1C[C@@H]1B(O)O	2243427512	WRFBVZKZMXZRKI-IUCAKERBSA-N	228.101	-0.741	50	10	BBGE	
CC(C)N(CC(=O)O)C(=O)[C@H]1C[C@@H]1B(O)O	2243752997	PDKWZBXZFCHMQB-BQBZGAKWSA-N	229.041	-0.829	50	10	BBGE	
O=C(O)[C@H]1CCC[C@H](C(=O)NCB(O)O)C1	2245265148	CUIYBUNAUNZDHM-BQBZGAKWSA-N	229.041	-0.994	50	10	BBGE	
C[C@H](NC(=O)c1ccncc1B(O)O)C1CC1	2247735179	LHBJRHSGCMXHDA-ZETCQYMHSA-N	234.064	-0.710	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1coc(B(O)O)c1	2247735427	YQWMMBDRYKPULM-JGVFFNPUSA-N	237.064	-0.265	50	10	BBGE	
C/C=C/CNC(=O)c1ccc(B(O)O)c(F)c1	2247752143	JLCDCQVAIVRQDL-NSCUHMNNSA-N	237.039	-0.189	50	10	BBGE	
Cc1ccnnc1CNC(=O)C1(B(O)O)CC1	2247755137	GZAXXWXRMLSYRQ-UHFFFAOYSA-N	235.052	-0.592	50	10	BBGE	
CO[C@@H]1C[C@H](C)CN(C(=O)C2(B(O)O)CC2)C1	2247756210	RYGNVKBENLHJFQ-DTWKUNHWSA-N	241.096	-0.123	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)C(=O)[C@H]1C[C@@H](B(O)O)C1	2247787959	XACJLXNVIQZWQH-UTINFBMNSA-N	241.096	-0.125	50	10	BBGE	
Cc1cc(=NC(=O)[C@H]2C[C@H]2B(O)O)cc(C)[nH]1	2247790393	GYONYEFRFRUWEN-VHSXEESVSA-N	234.064	-0.078	50	10	BBGE	
N[C@H]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2B(O)O)CC1	2247791020	KSTBEKYGHUHFLS-QCLAVDOMSA-N	240.112	-0.517	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H](B(O)O)C1)[C@H]1CCCOC1	2247791074	LCUOCBQUOGPTNY-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
O=C([C@H]1C[C@@H](B(O)O)C1)N1CC2(CC(O)C2)C1	2247793121	WHKDCZNLIVBBSV-OCAPTIKFSA-N	239.080	-0.777	50	10	BBGE	
CO[C@@H]1CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H]1C	2247796491	AALQEZTZEUZREM-ZYUZMQFOSA-N	241.096	-0.125	50	10	BBGE	
CO[C@@H]1CN(C(=O)C2(B(O)O)CCC2)C[C@H]1F	2247853027	FKARVCYCSZEQLZ-HTQZYQBOSA-N	245.059	-0.421	50	10	BBGE	
O=C(N1Cc2conc2C1)C1(B(O)O)CCC1	2247854733	HTXBDLSFQMFGEB-UHFFFAOYSA-N	236.036	-0.086	50	10	BBGE	
C[C@@H]1CN(C(=O)c2ccoc2B(O)O)C[C@H]1C	2247869468	SCLAPDJAQHSPBV-HTQZYQBOSA-N	237.064	-0.313	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1coc(B(O)O)c1	2247871420	AZYFYLGRVCEJQC-VIFPVBQESA-N	235.048	-0.202	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)C1CC1	2247888001	USJJHIWNPXBHCM-GUBZILKMSA-N	241.096	-0.219	50	10	BBGE	
CC[C@@H](CCCO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247894727	KFOLSMLMMZNPQT-GUBZILKMSA-N	243.112	-0.093	50	10	BBGE	
NC[C@H]1C[C@](F)(CNC(=O)[C@H]2C[C@H]2B(O)O)C1	2247900053	SLZWLXQYQPOBPT-QHOPCYEYSA-N	244.075	-0.958	50	10	BBGE	
Cc1nccnc1NC(=O)C1CC(B(O)O)C1	2247903600	LSNOMMYODOSNTE-UHFFFAOYSA-N	235.052	-0.023	50	10	BBGE	
C#CC[C@@H](C)C(=O)Nc1cc(B(O)O)ccn1	2248438463	FVYGFWBETWPUTP-MRVPVSSYSA-N	232.048	-0.641	50	10	BBGE	
C[C@@H](F)[C@@H](NC(=O)[C@H]1C[C@@H](B(O)O)C1)C(=O)O	2248587502	QFHJGHFVJJWJQO-MVIOUDGNSA-N	247.031	-0.833	50	10	BBGE	
Cc1ccnc(N(C)CC2COC2)c1B(O)O	2248986315	CPGFAWGEQWXADK-UHFFFAOYSA-N	236.080	-0.848	50	10	BBGE	
C[C@H]1C[C@@H](F)CN1C(=O)c1cc(B(O)O)co1	2249419134	CTFCSFFVNRLQIQ-POYBYMJQSA-N	241.027	-0.468	50	10	BBGE	
C[C@@H]1CCC[C@@H]1NC(=O)c1cocc1B(O)O	2249424497	TYTPVEWSNUNPPU-XCBNKYQSSA-N	237.064	-0.122	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1C[C@H]2CC[C@H]1C2	2250000114	DWQKVHJBZUUVAB-GARJFASQSA-N	235.092	-0.056	50	10	BBGE	
O=C(O)[C@@H]1CCCCC[C@H]1C(=O)NCB(O)O	2251311943	ZSYDIIUABWBRKM-HTQZYQBOSA-N	243.068	-0.604	50	10	BBGE	
CCc1ncncc1CNC(=O)[C@H]1C[C@H]1B(O)O	2255563941	LFUGWDLOHSAPMC-DTWKUNHWSA-N	249.079	-0.482	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CCCCC12CC2	2255673647	RQJVZWVOGVKIAT-UHFFFAOYSA-N	248.091	-0.147	50	10	BBGE	
CC[C@H]1CC[C@H]1NC(=O)c1ccncc1B(O)O	2255694499	OMNWENMEZCPYMK-GZMMTYOYSA-N	248.091	-0.320	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)N[C@H]1CCOC1	2255719151	DGCNSMBCEJRVPK-JTQLQIEISA-N	249.075	-0.806	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CCC2(CC2)C1	2255725949	AADYMRGQYHOKSK-UHFFFAOYSA-N	249.075	-0.106	50	10	BBGE	
C#CC1CC(NC(=O)c2cc(C)c(B(O)O)o2)C1	2255781760	UDDVAACBPUIWSS-UHFFFAOYSA-N	247.059	-0.591	50	10	BBGE	
O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1cocc1B(O)O	2258127544	JUMLKVPSSKBZQE-SOCHQFKDSA-N	249.075	-0.122	50	10	BBGE	
C[C@H]1CN(C[C@@H]2CC[C@H]2C(=O)NN)C[C@@H]1CO	2298164838	KTQDOEKNYZWVNM-UKKRHICBSA-N	241.335	-0.437	50	10	BBGE	
N[C@@H]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2298370712	IKHNRRJEFKUBMK-SGIHWFKDSA-N	240.112	-0.517	50	10	BBGE	
CC1(C)[C@H](O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1B(O)O	2298371471	MBCMVRCVSXBZLK-JQCXWYLXSA-N	241.096	-0.628	50	10	BBGE	
CN1CC[C@H]1COCc1cc(C(=O)NN)no1	2299036239	WLVBNCXRGWMMCB-ZETCQYMHSA-N	240.263	-0.501	50	10	BBGE	
C#CC#CC1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)C1	2300113636	PTVJKMGBMZXUIU-XYPYZODXSA-N	231.060	-0.666	50	10	BBGE	
CC(=O)NCCN(C)[C@H](C)CCCC(=O)NN	2302021982	GNUUSVUXNRPQEI-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)CCOCCO	2302059018	IBNBEUQGLNQQDM-SNVBAGLBSA-N	247.339	-0.524	50	10	BBGE	
CC(C)n1ncnc1[C@H](C)NC(=O)C(=O)NN	2302071419	AOHAJOLBWISLRC-LURJTMIESA-N	240.267	-0.974	50	10	BBGE	
C[C@H]1NCC[C@H]1Nc1cc(B(O)O)c(F)cn1	2303835135	RJPONKYLTHVBCE-HZGVNTEJSA-N	239.059	-0.937	50	10	BBGE	
N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1cc(B(O)O)ccn1	2312612206	IINZHRPZKMSKQH-OINDSLJFSA-N	247.107	-0.701	50	10	BBGE	
OB(O)c1cccnc1OC[C@@H]1C[C@@H]2CC[C@H]1N2	2312613525	KIERDUMYBWSHDO-ATZCPNFKSA-N	248.091	-0.719	50	10	BBGE	
COC[C@@H](C)COc1ccc(B(O)O)cc1C#N	2317166843	ZYYMUFPPLCNNQV-SECBINFHSA-N	249.075	-0.101	50	10	BBGE	
Cc1ncc(Nc2cc(B(O)O)c(F)cn2)cn1	2320794981	OBPYVFXQBVBBLN-UHFFFAOYSA-N	248.026	-0.257	50	10	BBGE	
C=C1COCCN(Cc2cccc(B(O)O)c2)C1	2326799423	GZDHKYZQPYVKOQ-UHFFFAOYSA-N	247.103	-0.245	50	10	BBGE	
NC(=O)N(CCN(N=O)C(N)=O)N=O	5113380	YXRMZJVHQODXOZ-UHFFFAOYSA-N	204.146	-0.889	50	10	BBGE	
NNC(=O)N1CCN(c2ccccn2)CC1	34977778	QTVZKLUELPOKBY-UHFFFAOYSA-N	221.264	-0.213	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC[C@H](N)C1	82470166	VGJVQXPYANUBKV-JGVFFNPUSA-N	200.286	-0.822	50	10	BBGE	
Cc1cc(C(=O)NNC(N)=S)n(C)n1	85166005	BTYDYUHHVGHZLI-UHFFFAOYSA-N	213.266	-0.793	50	10	BBGE	
C[C@H](CCl)CS(=O)(=O)N[C@H](C)C(N)=O	86550187	PDMSIOFBSPWURT-PHDIDXHHSA-N	242.728	-0.346	50	10	BBGE	
CCNC(=O)CN(CC)[C@@H](C)[C@@H](C)C(=O)NN	93072223	TXASFHMYMXKCTK-BDAKNGLRSA-N	244.339	-0.541	50	10	BBGE	
CONS(=O)(=O)CBr	127500181	JDAPYIDHWQBFDF-UHFFFAOYSA-N	204.045	-0.180	50	10	BBGE	
CN(NC(=O)Cc1cccc(O)c1)C(N)=O	179693704	TYCMHQIVUIKIRV-UHFFFAOYSA-N	223.232	-0.024	50	10	BBGE	
OB(O)c1c(-c2ccccn2)nn2c1CCC2	201849564	XLDLMIQYJZLATJ-UHFFFAOYSA-N	229.048	-0.429	50	10	BBGE	
COC[C@@H](OC[C@H]1CCCO1)C(=O)NN	232417520	OOKOWEIWKXUHKN-HTQZYQBOSA-N	218.253	-0.813	50	10	BBGE	
CCc1cnc(CNC(=O)C(=O)NN)s1	234136469	OCRWJDOBPQVSKM-UHFFFAOYSA-N	228.277	-0.688	50	10	BBGE	
Nc1ccc(B(O)O)cc1Br	238573618	JMVZCFXGWFJHCX-UHFFFAOYSA-N	215.843	-0.289	50	10	BBGE	
OB(O)c1ccc2c(Cl)ncnc2c1	238648270	OGTRWBOYCUEZIL-UHFFFAOYSA-N	208.413	-0.037	50	10	BBGE	
CC[C@@H]1CN(C[C@H](C)C(=O)NN)CCO1	251833978	QEZBGZCBDZLYSL-DTWKUNHWSA-N	215.297	-0.277	50	10	BBGE	
N#C[C@H](Cl)CN1CC[C@@](O)(CO)C1	306301860	IRBOYYJHKOVLQU-YUMQZZPRSA-N	204.657	-0.454	50	10	BBGE	
CC(=O)Cc1ccc(S)cc1B(O)O	306646323	GAWHVGHXNBMQAJ-UHFFFAOYSA-N	210.063	-0.213	50	10	BBGE	
NC(=S)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	307387793	NFEFHLVOFGQPGO-HSUXUTPPSA-N	215.278	-0.582	50	10	BBGE	
C[C@H]1CN(C(=O)CCCl)CC(=O)N1	307570260	ZHYMGXCGJSXWOW-LURJTMIESA-N	204.657	-0.038	50	10	BBGE	
CCNNC(=O)[C@@H](N)Cc1ccc(O)cc1	309214490	JKSYPPWIYSNLMX-JTQLQIEISA-N	223.276	-0.097	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC[S@](=O)CC1	321896803	PMJUAARQUYULGI-FVMDXXJSSA-N	247.364	-0.401	50	10	BBGE	
COC(=O)c1cc(B(O)O)ccc1NC(C)=O	379894911	GWQPFZITBYRPSC-UHFFFAOYSA-N	237.020	-0.889	50	10	BBGE	
CNC(=O)C1CN(CCC(C)(C)C(=O)NN)C1	382088798	WWPNLWNOFKYXOZ-UHFFFAOYSA-N	242.323	-0.930	50	10	BBGE	
C[C@@H](c1ccncc1)N(C)C(=O)C(=O)NN	383726635	LGFIUGUWSHCWLK-ZETCQYMHSA-N	222.248	-0.409	50	10	BBGE	
Cc1cn(-c2ccc(B(O)O)cc2F)cn1	390071869	MGTYMDRBGJKLCN-UHFFFAOYSA-N	220.012	0.000	50	10	BBGE	
OB(O)c1cnn(CCO[C@H]2CCCCO2)c1	394763828	YNCRHBBZOGMOAU-JTQLQIEISA-N	240.068	-0.894	50	10	BBGE	
COc1c(CCC(=O)O)cccc1B(O)O	396032026	MCVQIRQTKKOVPC-UHFFFAOYSA-N	224.021	-0.608	50	10	BBGE	
O=CCCc1ccc(/C=C\C(=O)O)c(B(O)O)c1	396128996	BLQFMVZEMBMCFG-WAYWQWQTSA-N	248.043	-0.404	50	10	BBGE	
C[C@]1(CN2CC(=O)OC(=O)C2)CCOC1	397354572	HOROIKYDZNLSOF-SNVBAGLBSA-N	213.233	-0.202	50	10	BBGE	
CO[C@@H]1CCCCN(CC(=O)NN)C1=O	399456767	ASNKHHQFVMQXKV-SSDOTTSWSA-N	215.253	-0.996	50	10	BBGE	
CCOC(=O)C[C@@H](O)C(=O)NN(C)C(=O)OC	496786187	PNCMXXYZXVDDLD-ZCFIWIBFSA-N	248.235	-0.970	50	10	BBGE	
CCO[C@H]1C[C@H]1C(=O)Nc1ccccc1B(O)O	689954135	OPZCMJNCFPCRIU-KCJUWKMLSA-N	249.075	-0.270	50	10	BBGE	
Cc1nc(COc2ccccc2B(O)O)n(C)n1	690902702	HYIICIMHQGOFLA-UHFFFAOYSA-N	247.063	-0.618	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1CCOC[C@@H]1CCO	694920676	MDWIPPZDVJLRLM-AEJSXWLSSA-N	245.323	-0.916	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCC[C@H]1CO	695086134	GQENKWVHEORBHW-VHSXEESVSA-N	229.324	-0.152	50	10	BBGE	
COC[C@@H](CO[C@H](C)CCC(=O)NN)OC	695710035	MPUULFHEVMKEGY-BDAKNGLRSA-N	234.296	-0.177	50	10	BBGE	
C[C@H](NC(=O)CCBr)[C@@H](O)CO	698877209	YFSYDIDCAOQFRZ-WDSKDSINSA-N	240.097	-0.371	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@H]2CN(C)C[C@@]2(C)C1	702396875	BIZLEZWPTRFQCC-FOGDFJRCSA-N	240.351	-0.362	50	10	BBGE	
CN(CCCC(=O)NN)CCn1cccn1	707436240	SEVXMUJZFTYLNJ-UHFFFAOYSA-N	225.296	-0.415	50	10	BBGE	
CN(CC(=O)NN)Cc1cnc2n1CCC2	719371200	SUZGHMJFAGNIRU-UHFFFAOYSA-N	223.280	-0.749	50	10	BBGE	
C[C@@H](O)C1CN(Cc2cc(C(=O)NN)no2)C1	719806598	IPHBRTOZFKTWNI-ZCFIWIBFSA-N	240.263	-0.909	50	10	BBGE	
O=C(NN=Cc1cc[nH]c1)[C@H]1COCCO1	745209181	YBZYXKMTEWHRDS-SECBINFHSA-N	223.232	-0.120	50	10	BBGE	
CSCC(=O)NNC(=O)Cc1cc[nH]n1	755278969	GKLNEASINFGAAR-UHFFFAOYSA-N	228.277	-0.537	50	10	BBGE	
CN1C[C@@H](C(=O)NNc2ccccn2)NC1=O	831750267	WVQHBDVLPWPMKW-ZETCQYMHSA-N	235.247	-0.452	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C(C)(C)CO	847401141	FHRFXWWHTUBKRK-UHFFFAOYSA-N	217.269	-0.256	50	10	BBGE	
COC(=O)NNC(=O)c1ccc(=O)n(C)c1	1160416690	XKCPGUHMIOVJQE-UHFFFAOYSA-N	225.204	-0.614	50	10	BBGE	
CN1CC[C@H](C(=O)NNc2ccncn2)CC1=O	1298158755	UYCFLJSUUGVTIW-QMMMGPOBSA-N	249.274	-0.212	50	10	BBGE	
C[C@H](O)C(=O)NNC(=O)[C@H]1CCCCO1	1450267091	AYTQJEUIUPNXOB-NKWVEPMBSA-N	216.237	-0.916	50	10	BBGE	
CC(C)(O)[C@H](O)C(=O)NNc1ncc(F)cn1	1623197420	OHWQSQMTPATLSS-ZCFIWIBFSA-N	244.226	-0.809	50	10	BBGE	
C=C[C@H](O)C(=O)NNC(=O)c1c[nH]nc1C	1632899442	SLMHKYBUSKEAQZ-ZETCQYMHSA-N	224.220	-0.974	50	10	BBGE	
CC(=O)OCC(C)(C)CC(=O)NNC(=O)CO	1654451070	PWOCRJUFUMFKIU-UHFFFAOYSA-N	246.263	-0.895	50	10	BBGE	
O=C1CN(C(=O)[C@H]2C[C@H]2Br)CCN1	1877347833	RJFGNGBSQPQGIV-NTSWFWBYSA-N	247.092	-0.272	50	10	BBGE	
CNNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	1880024653	UUNWYFMXENLADL-SSDOTTSWSA-N	247.295	-0.223	50	10	BBGE	
NC[C@@H](CO)C(=O)NCC(Cl)Cl	1881070290	YBZQJTFQVAYKFJ-BYPYZUCNSA-N	215.080	-0.527	50	10	BBGE	
O=C(NC1CC(Cl)C1)c1nn[nH]n1	1881718402	GCYFSZWILWOZBK-UHFFFAOYSA-N	201.617	-0.301	50	10	BBGE	
CC1(C)COC[C@@H]1COCC(=O)NN	1888231462	QDUFKLVEHXPAOH-ZETCQYMHSA-N	202.254	-0.335	50	10	BBGE	
C=CCCOCc1nc(B(O)O)cs1	1891823055	FUNDTDNUIRPUBF-UHFFFAOYSA-N	213.067	-0.084	50	10	BBGE	
NS(=O)(=O)C1CN(C(=O)[C@H]2C[C@H]2Cl)C1	1893468891	CQPPUGIKRJPQPC-NTSWFWBYSA-N	238.696	-0.887	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3nc(B(O)O)cs3)C[C@@H]21	1898082630	WYAQSZWAMMYQTP-BWZBUEFSSA-N	238.121	-0.085	50	10	BBGE	
COCCN(C)CCC[C@@H]1C[C@@H]1C(=O)NN	1900505317	DZJLRTJSAXNXBI-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
NC(=O)[C@H]1[C@H]2CN(S(=O)(=O)CCl)C[C@H]21	1900559718	XRYOGWPZOHLMDB-FPFOFBBKSA-N	238.696	-0.824	50	10	BBGE	
OB(O)c1csc(CN2CCC[C@H]2CF)n1	1902640867	JFJBNNRPZFGUEP-ZETCQYMHSA-N	244.100	-0.243	50	10	BBGE	
CON(C)Cc1ccc(C(=O)NN)nc1	1910223852	QAAJMDAVHAXRPF-UHFFFAOYSA-N	210.237	-0.322	50	10	BBGE	
O=C(CC(F)(F)F)Nc1ncccc1B(O)O	1913608049	SSPQNUHQNPKDQP-UHFFFAOYSA-N	247.969	-0.348	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@](F)(CO)C1	1917086132	DTIMUUKNRMCIHU-OYNCUSHFSA-N	233.287	-0.593	50	10	BBGE	
O=C(C[C@H]1CCNC1)NNC(=O)C(F)(F)F	1923401837	HTCQHFKMPNGWPE-RXMQYKEDSA-N	239.197	-0.304	50	10	BBGE	
COC[C@H](OC)C(=O)NNC(=O)C(F)(F)F	1923408549	LTAUQXOPSFPLTB-BYPYZUCNSA-N	244.169	-0.643	50	10	BBGE	
O=C(C[C@H]1CCCCO1)NNCCO	1929834556	DCEVRRMAKMGGKM-MRVPVSSYSA-N	202.254	-0.441	50	10	BBGE	
C[C@H](C(=O)NN)N(C)Cc1csnn1	1930600575	HFBVOSXNIONTSH-RXMQYKEDSA-N	215.282	-0.652	50	10	BBGE	
CC(C)C1CN(CCOCC(=O)NN)C1	1931483258	OABNXJUCVOLUCH-UHFFFAOYSA-N	215.297	-0.419	50	10	BBGE	
CC[C@H](C)N(CCO)CC(F)(F)C(=O)NN	1935930171	GQWUPWMNJWQTGO-ZETCQYMHSA-N	239.266	-0.296	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@H]1CO	1936089216	BHIAOHDJCVOROS-AATLWQCWSA-N	227.308	-0.827	50	10	BBGE	
C[C@H]1CN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@H]1CO	1936089353	BHIAOHDJCVOROS-AXTSPUMRSA-N	227.308	-0.827	50	10	BBGE	
C[C@@H]1CN(CCOCC(=O)NN)[C@H](C)[C@H]1C	1936533035	KJIDBRDUCZTKQE-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
COC1CCN(CC2(C(=O)NN)CC2)CC1	1938247240	QJCGCYFNPROAMX-UHFFFAOYSA-N	227.308	-0.133	50	10	BBGE	
N#Cc1ccc(=O)n(CC(F)(F)C(=O)NN)c1	1940896214	QKNWKVSQNHTCBC-UHFFFAOYSA-N	242.185	-0.655	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CCn2nccc2C1	1941177883	JHRCAIGJDSYAEJ-VIFPVBQESA-N	237.307	-0.143	50	10	BBGE	
CNC(=O)[C@H]1[C@H](C)CCN1CCCC(=O)NN	1942612063	CRSBFIOORLCPHE-PSASIEDQSA-N	242.323	-0.787	50	10	BBGE	
COC[C@@]1(OC)CCCN(CCC(=O)NN)C1	1946472964	GDOIBVOGUBATNK-LLVKDONJSA-N	245.323	-0.506	50	10	BBGE	
CC[C@](C)(OC)C(=O)N1CC[C@H](B(O)O)C1	1951322001	POHCXIIOPZUYRG-WPRPVWTQSA-N	229.085	-0.123	50	10	BBGE	
C[C@H](C(=O)N1CC(Cl)C1)S(C)(=O)=O	1954058840	ZWLJSSUUPHFSLK-RXMQYKEDSA-N	225.697	-0.131	50	10	BBGE	
C[C@@H](CC(=O)NN)N(C)Cc1ncon1	1958698869	DCGATQXLRPDJCH-LURJTMIESA-N	213.241	-0.730	50	10	BBGE	
CC[C@H]1C(=O)NC(=O)CN1C[C@H](O)CCl	1960163098	JMVVFNXRCVSEPX-RQJHMYQMSA-N	234.683	-0.677	50	10	BBGE	
C[C@@]1(C#N)CCCN(CCC(=O)NN)C1	1961471908	GTVOSZZUCTZXCY-JTQLQIEISA-N	210.281	-0.008	50	10	BBGE	
CCC[C@H](C)Oc1ncc(B(O)O)cn1	1961713570	UDTUEWLTZQXSLE-ZETCQYMHSA-N	210.042	-0.276	50	10	BBGE	
CS[C@H]1CCN(c2nc(B(O)O)cs2)C1	1961718195	LGBHKVKFYOVNEA-LURJTMIESA-N	244.150	-0.235	50	10	BBGE	
OB(O)c1csc(Sc2cccnn2)n1	1961721761	CMZPVXQTBPAJMC-UHFFFAOYSA-N	239.090	-0.236	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1nc(C(=O)NN)cs1	1975981236	BYSXKWHJMIFVAE-RXMQYKEDSA-N	240.288	-0.133	50	10	BBGE	
C[C@H]1C[C@H](CN(C)C(=O)C(=O)NN)CCO1	1977314294	OMEYYDJAGLXQGY-JGVFFNPUSA-N	229.280	-0.750	50	10	BBGE	
NNC(=O)C1(CN2CCCC[C@@H](O)C2)CC1	1980521909	VFHHHUGWYKGCNE-SECBINFHSA-N	227.308	-0.397	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CC(O)(C(F)F)C1	1981254583	NZJATELSEMUOPX-ZCFIWIBFSA-N	237.250	-0.543	50	10	BBGE	
CCN(CCOC)c1ccc(B(O)O)cn1	1981413173	CEEUBYQYNICBHQ-UHFFFAOYSA-N	224.069	-0.766	50	10	BBGE	
CN(CC1CSC1)c1ccncc1B(O)O	1981421384	ZEMLPLWDOUYCNX-UHFFFAOYSA-N	238.121	-0.439	50	10	BBGE	
CCC[C@@H](C)COc1ncc(B(O)O)cn1	1981430188	MHXGTTBMFCWUBM-MRVPVSSYSA-N	224.069	-0.029	50	10	BBGE	
C[C@@H]1COC[C@@H]1Oc1ncccc1B(O)O	1981431165	WJMVGAQXXIMNKA-APPZFPTMSA-N	223.037	-0.825	50	10	BBGE	
CNC(=O)[C@H]1COCCN1C(=O)C[C@@H](C)Cl	1982342831	GLJSIMDFNKICMM-HTQZYQBOSA-N	248.710	-0.023	50	10	BBGE	
NNC(=O)CCCCCN1CC=C[C@@H]1CO	1983181311	NHBPOYOXKADYQS-SNVBAGLBSA-N	227.308	-0.231	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@@H]2[C@H](CO)[C@@H]2C1	1985466396	ZJCRISKTTCVKAF-UTINFBMNSA-N	227.308	-0.829	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CCC=C[C@H]1CO	1985649627	ZKEIWGRNEAGXQZ-UWVGGRQHSA-N	227.308	-0.232	50	10	BBGE	
C[C@@H]1C(COc2ncc(B(O)O)cn2)[C@H]1C	1985912991	ZUCCYVXGGIAFJS-BQBZGAKWSA-N	222.053	-0.563	50	10	BBGE	
C[C@H](OC1CC(n2cncn2)C1)C(=O)NN	1986221014	HYHSEZQUZATBQL-KKMMWDRVSA-N	225.252	-0.623	50	10	BBGE	
COCCOCCCN(C)[C@@H](C)C(=O)NN	1987018035	UMPWPWDOKXSJRZ-VIFPVBQESA-N	233.312	-0.650	50	10	BBGE	
CC[C@H](CN(C)[C@H](COC)C(=O)NN)OC	1987959755	XIBGOAZWSWBRNA-RKDXNWHRSA-N	233.312	-0.652	50	10	BBGE	
Cn1nnnc1CN[C@H]1CCOC[C@@H]1CCl	1989875188	LNSMOJMKRGOLKS-YUMQZZPRSA-N	245.714	-0.056	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NCC=CB(O)O	1991332342	QTSBVESLVMDNDK-MRVPVSSYSA-N	229.085	-0.126	50	10	BBGE	
Cn1cc([C@H](N)C(=O)NC[C@H]2C[C@H]2Cl)nn1	1991454134	XQDCGBKEHGHENC-JKMUOGBPSA-N	243.698	-0.442	50	10	BBGE	
CC(C)(CN1C[C@@H]2C[C@H]2[C@@H]1CO)C(=O)NN	1992534979	DFBXSMWTBVAMCK-YIZRAAEISA-N	227.308	-0.685	50	10	BBGE	
CC1(C)OC[C@@H](NC(=O)/C=C/C(=O)Cl)[C@H]1O	1992725541	DXBNTWYEAHVPIG-MGKBZNPOSA-N	247.678	-0.038	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@H](O)C12CCC2	1993528382	JRYJKAXLROXIFJ-YIZRAAEISA-N	227.308	-0.400	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)[C@H]1CN2CC[C@H]1C2	1996730891	CLQSMTCZQOMJMV-DCAQKATOSA-N	240.351	-0.219	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H](CN2CC(CCF)C2)O1	1996954468	ZFXQIOMXQLLYSR-NXEZZACHSA-N	245.298	-0.185	50	10	BBGE	
NNC(=O)CCN1CC(=O)N[C@H]2CCCC[C@H]21	2004291353	RPKYZTSGFNITES-DTWKUNHWSA-N	240.307	-0.891	50	10	BBGE	
OB(O)c1cnc(N2CCC[C@@H](CF)C2)nc1	2004912055	NZSGPCIYHAXOCS-QMMMGPOBSA-N	239.059	-0.658	50	10	BBGE	
CC1(Oc2ccncc2B(O)O)CCOCC1	2004950098	BFKASLPRZKNTQR-UHFFFAOYSA-N	237.064	-0.291	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(CO)(OCC)C1	2005153461	LDHSXUKFFVFBGX-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
CN(CC(=O)NN)Cc1cccn2cnnc12	2007999017	MBKJRPIWWDDDHM-UHFFFAOYSA-N	234.263	-0.849	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1	2012901305	YAPOKHUJMMDHHJ-ILWJIGKKSA-N	239.319	-0.541	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1OCCOC1(C)C	2013867178	ZZPBSINEAVURKR-IUCAKERBSA-N	245.323	-0.509	50	10	BBGE	
COC(=O)NC[C@@H]1CCN1[C@H](C)CC(=O)NN	2014046466	UYAHRUOSMMJVLQ-SFYZADRCSA-N	244.295	-0.815	50	10	BBGE	
CC[C@H](CN(C)c1ncccc1B(O)O)OC	2014867439	SSNKDMNLBUXWPT-SECBINFHSA-N	238.096	-0.377	50	10	BBGE	
CC(C)c1c[nH]nc1C(=O)NCC#CB(O)O	2021104672	MJIOOFQEFALOCU-UHFFFAOYSA-N	235.052	-0.722	50	10	BBGE	
CC(C)n1cccc1C(=O)NCC#CB(O)O	2021156782	CCKHKZOCAVBKBM-UHFFFAOYSA-N	234.064	-0.186	50	10	BBGE	
Cc1nc(OC[C@@H]2CC2(C)C)ncc1B(O)O	2021269493	FWRWCVWNPMWNMX-QMMMGPOBSA-N	236.080	-0.110	50	10	BBGE	
NNC(=O)C(=O)NCc1ccc2c(c1)CCCO2	2042401465	LFIOAKKFIHZFPN-UHFFFAOYSA-N	249.270	-0.382	50	10	BBGE	
OB(O)c1cnccc1N1CCOC2(CCC2)C1	2052472283	QMELAXAQNLTJHB-UHFFFAOYSA-N	248.091	-0.479	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@H]1C[C@H]2CC[C@H]1C2	2052474414	ZZRAKMCYJGLGJU-QXEWZRGKSA-N	247.107	-0.219	50	10	BBGE	
Cc1ncnc(-n2cnc(C(C)C)n2)c1B(O)O	2052596803	LCTWSISZCOZVCL-UHFFFAOYSA-N	247.067	-0.831	50	10	BBGE	
OB(O)c1cnccc1-n1nnc2ccccc21	2052609471	XSDGICFGBBNNBA-UHFFFAOYSA-N	240.031	-0.505	50	10	BBGE	
Cc1cn(Cc2ccc(C(=O)NN)nc2)c(O)n1	2056635622	HCTZFUPYWKUEEG-UHFFFAOYSA-N	247.258	-0.056	50	10	BBGE	
CCCn1nc(C)c(B(O)O)c1OCC	2059959925	NUCTYZDWRRQHEV-UHFFFAOYSA-N	212.058	-0.320	50	10	BBGE	
N#Cc1ccc(B(O)O)c(C=O)c1C(F)F	2060232149	VBWRMHBIRRNLPY-UHFFFAOYSA-N	224.959	-0.012	50	10	BBGE	
C[C@@]12C[C@@H]1CN(Cc1nscc1B(O)O)C2	2211137098	ATGXHCKDVTTZCR-XCBNKYQSSA-N	238.121	-0.335	50	10	BBGE	
C[C@@H]1CC[C@H](Nc2ncc(B(O)O)cn2)C1	2212613469	VXGDEQYPURFBGL-APPZFPTMSA-N	221.069	-0.243	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2CC[C@H]2C(=O)NN)C1=O	2215774373	WQLLIHOOJAJHEZ-BWZBUEFSSA-N	239.275	-0.603	50	10	BBGE	
CN1CC2(C1)CN(C[C@@H]1CC[C@H]1C(=O)NN)C2	2215776294	LVQYVKOSNQKVLS-VHSXEESVSA-N	238.335	-0.750	50	10	BBGE	
NNC(=O)C1(CN2CC3CC2(CO)C3)CCC1	2216493278	BYBCBTNJULDVGZ-UHFFFAOYSA-N	239.319	-0.397	50	10	BBGE	
OB(O)c1ccnc(N2C[C@@H]3CC=CC[C@@H]32)c1	2217175449	JAONJSNMRUXMSG-ONGXEEELSA-N	230.076	-0.084	50	10	BBGE	
Cc1cc(CN=c2ncc(B(O)O)c[nH]2)co1	2217202752	ZNIWPXGICPXJQQ-UHFFFAOYSA-N	233.036	-0.908	50	10	BBGE	
NC[C@@H]1C[C@H]2CC[C@H]1N2c1cc(B(O)O)ccn1	2223634063	FLUSRDIQBNVSRV-JMJZKYOTSA-N	247.107	-0.923	50	10	BBGE	
Cc1ncc(CCNc2ncccc2B(O)O)o1	2223672132	DIFHTFPSFJIQFT-UHFFFAOYSA-N	247.063	-0.288	50	10	BBGE	
C[C@H](NC(=O)C1(B(O)O)CC1)C(C)(C)CO	2243363649	KCTHLIMQNSDCQR-ZETCQYMHSA-N	229.085	-0.483	50	10	BBGE	
CNC(=O)c1cc(B(O)O)cc(C(C)C)c1	2243376462	KHHPWRBFTHDKCB-UHFFFAOYSA-N	221.065	-0.151	50	10	BBGE	
Cn1nccc1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2243383170	VEQHMBJMZLAZAE-KNVOCYPGSA-N	223.041	-0.388	50	10	BBGE	
O=C(NC[C@@H]1C[C@H]1F)c1cc(B(O)O)cs1	2243385326	GWEHZTQLJRTESX-CAHLUQPWSA-N	243.068	-0.484	50	10	BBGE	
CC[C@@H](O)[C@@H](C)NC(=O)C1CC(B(O)O)C1	2243397138	WISJMWQKPQTIML-MDVIFZSFSA-N	229.085	-0.485	50	10	BBGE	
CCN(C[C@@H](C)O)C(=O)C1(B(O)O)CCC1	2243397425	BBCKIFWTEXUNBW-MRVPVSSYSA-N	229.085	-0.387	50	10	BBGE	
CCO[C@H](C)CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243404733	SXWGVEAABOEXRU-HLTSFMKQSA-N	229.085	-0.219	50	10	BBGE	
N[C@H]1CCCCN(C(=O)C2(B(O)O)CC2)C1	2243409814	PKGKVLXGAMWKCU-QMMMGPOBSA-N	226.085	-0.667	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)C1(B(O)O)CC1	2243753070	QEEIWAVGEGYAQU-LURJTMIESA-N	229.041	-0.637	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1cc(B(O)O)co1	2244212647	SVBLKEWHPBDRTA-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2244549504	DRPLTBCIIHCUFO-OPRDCNLKSA-N	221.065	-0.446	50	10	BBGE	
CC(C)CN(C)C(=O)c1ccncc1B(O)O	2247722787	OSHZQROERSSFCC-UHFFFAOYSA-N	236.080	-0.511	50	10	BBGE	
O=C(C#CB(O)O)N[C@@H](C(F)F)C1CCCC1	2247736904	ACTCWMWKKHDRKU-SECBINFHSA-N	245.034	-0.058	50	10	BBGE	
CN(C(=O)c1cc(B(O)O)c[nH]1)[C@H]1CC1(C)C	2247742464	PBUKRSVNIOEHEW-VIFPVBQESA-N	236.080	-0.435	50	10	BBGE	
O=C(NC[C@@H]1[C@H]2CC[C@H]21)c1cc(B(O)O)c[nH]1	2247743936	LKGQZQQWNUZMDV-BRPSZJMVSA-N	234.064	-0.920	50	10	BBGE	
O=C(c1occc1B(O)O)N1C[C@H]2C=C[C@H]1C2	2247753453	HFYZZEDJJOBEHO-YUMQZZPRSA-N	233.032	-0.640	50	10	BBGE	
C[C@@H]1OCC[C@H]1CCNC(=O)C1(B(O)O)CC1	2247755352	JJINPFOOZKMMMA-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
C=CCNC(=O)c1cc(C)c(B(O)O)c(C)c1	2247786560	CHIUVBWOIVKUEK-UHFFFAOYSA-N	233.076	-0.101	50	10	BBGE	
N[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247787117	LANGQYLIASFUKG-UTINFBMNSA-N	240.112	-0.375	50	10	BBGE	
CCOCC1CN(C(=O)C2CC(B(O)O)C2)C1	2247796650	BQTNLAVMUQBTRO-UHFFFAOYSA-N	241.096	-0.266	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N(C1CC1)C1COC1	2247798146	QOFOIAASNXLAAD-ZKCHVHJHSA-N	239.080	-0.371	50	10	BBGE	
N[C@H]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247803409	AYUOOLSHHJPLGP-KYXWUPHJSA-N	240.112	-0.517	50	10	BBGE	
CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247806007	COQVYOLWPQISAU-OPRDCNLKSA-N	240.112	-0.550	50	10	BBGE	
CCc1nc(CNC(=O)[C@H]2C[C@@H]2B(O)O)co1	2247806275	DTZVSCNEHRCBPE-YUMQZZPRSA-N	238.052	-0.284	50	10	BBGE	
COC1(CNC(=O)[C@H]2C[C@H]2B(O)O)CCCC1	2247807463	RFMZKWQRXXUDND-DTWKUNHWSA-N	241.096	-0.075	50	10	BBGE	
COC1(OC)CCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247808314	KPQQODKRWARKIL-JGVFFNPUSA-N	243.068	-0.929	50	10	BBGE	
C[C@H]1C[C@@H](C)N(C(=O)c2cc(B(O)O)c[nH]2)C1	2247850714	RWDWPOOLBPLDLM-JGVFFNPUSA-N	236.080	-0.435	50	10	BBGE	
CC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2B(O)O)CN1	2247860687	ZWCUXUWQWHWPQU-RGOKHQFPSA-N	240.112	-0.504	50	10	BBGE	
CC[C@@H]1CC[C@@H]1NC(=O)c1coc(B(O)O)c1	2247870252	GZQJXUUGIMTNLB-APPZFPTMSA-N	237.064	-0.122	50	10	BBGE	
C=C[C@@H](C)NC(=O)c1ccc(F)cc1B(O)O	2247876902	YHHNLQUWTALAMO-SSDOTTSWSA-N	237.039	-0.190	50	10	BBGE	
C#CCCN(C)C(=O)c1cc(C)c(B(O)O)o1	2247890986	UMAXGNUSKTZXGZ-UHFFFAOYSA-N	235.048	-0.637	50	10	BBGE	
CC(C)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247897012	MYHIMPAOKRKCFL-GUBZILKMSA-N	240.112	-0.552	50	10	BBGE	
O=C(O)[C@H]1CCN(C(=O)C2(B(O)O)CCC2)O1	2248586480	BJBQCZUSEBONAN-ZCFIWIBFSA-N	243.024	-0.999	50	10	BBGE	
CCC[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2248587976	XJNHPXKRKOJAMP-BIIVOSGPSA-N	243.068	-0.439	50	10	BBGE	
C[C@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCN1	2249874751	SBKGZNGQDLYCQB-WCBMZHEXSA-N	235.096	-0.686	50	10	BBGE	
NNC(=O)[C@H]1CC[C@H]1CN1C[C@H]2COC[C@H]1C2	2249923514	WPZHUKXWSYWHJA-MMWGEVLESA-N	239.319	-0.277	50	10	BBGE	
OB(O)c1cnc(N[C@H]2CCC[C@@H]2CF)nc1	2251074888	UBOIPDMYURFUAZ-APPZFPTMSA-N	239.059	-0.294	50	10	BBGE	
CCCn1ccnc1CN(C)C(=O)C#CB(O)O	2255461581	JZUSOHAPUWDKHC-UHFFFAOYSA-N	249.079	-0.733	50	10	BBGE	
CN(C(=O)c1ccoc1B(O)O)C1C[C@H]2C[C@@H]2C1	2255463226	GLPCWWUVGCMAJV-HTQZYQBOSA-N	249.075	-0.170	50	10	BBGE	
C=C(C)CONC(=O)c1ccc(B(O)O)c(C)c1	2255511917	QZSMHMJYSLZEJP-UHFFFAOYSA-N	249.075	-0.088	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC[C@@H]2CC[C@H]21	2255669851	STTGEQQBWUAACQ-RKDXNWHRSA-N	249.075	-0.026	50	10	BBGE	
C=CCN(CC)C(=O)c1nc(C)ccc1B(O)O	2255693024	XVVGIVUJHUTBKF-UHFFFAOYSA-N	248.091	-0.282	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H]2C=C[C@H]1C2	2258131597	WLRXLWSJTKLAJQ-BDAKNGLRSA-N	247.059	-0.250	50	10	BBGE	
O[C@H]1CN(C[C@@H](O)CCl)CC[C@H]1O	2297205530	VFGXRGXXGSRJMO-RNJXMRFFSA-N	209.673	-0.986	50	10	BBGE	
CC1(C)[C@@H](O)CCCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298370289	UZUFNMGJHUYVDR-HLTSFMKQSA-N	241.096	-0.389	50	10	BBGE	
C[C@H]1CCO[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1B(O)O	2298371492	MNCYMOBXHPGLTQ-JLIMGVALSA-N	241.096	-0.267	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CC[C@@H]2NCC[C@@H]2C1	2298376191	MTCXIMDYIDFDFL-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC2CC1(CO)C2	2299769152	YMGNQCBFQHGJSA-GWMJWBFUSA-N	239.080	-0.777	50	10	BBGE	
CN(C)CCN(C)CCC[C@@H]1C[C@H]1C(=O)NN	2300397518	SKIRDLHFOSPKFC-GHMZBOCLSA-N	242.367	-0.114	50	10	BBGE	
O=C1NCCCC[C@H]1CN1CC[C@H](B(O)O)C1	2303096290	CTJXAMQDKDOOQO-UWVGGRQHSA-N	240.112	-0.549	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@@H]2C[C@H](CO)CO2)C1	2303152466	YEYQMLYBJPPTID-VWYCJHECSA-N	243.112	-0.677	50	10	BBGE	
OB(O)c1cc(N[C@@H]2COC[C@H]2F)ncc1F	2303835257	UAASTTBTBIVUDT-HTQZYQBOSA-N	244.006	-0.951	50	10	BBGE	
C=C(CN(C)Cc1ncc(OC)cn1)B(O)O	2307328733	QMWMSNRTOVJFHB-UHFFFAOYSA-N	237.068	-0.515	50	10	BBGE	
Cc1cccc(NC(=O)NN(C)C)c1B(O)O	2307515293	TVRMUPLCHOXYLC-UHFFFAOYSA-N	237.068	-0.727	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1-n1cccc1C#N	2317132748	OUWWDAYNLYDHQR-UHFFFAOYSA-N	237.027	-0.100	50	10	BBGE	
COCC1(Nc2ccc(C=O)c(B(O)O)c2)CC1	2317347624	AMECEPQELWELKY-UHFFFAOYSA-N	249.075	-0.230	50	10	BBGE	
C[C@@H](N)C(=O)NNC(=O)c1ccc(F)cc1	49819907	FHJVCEBUTOPFKI-ZCFIWIBFSA-N	225.223	-0.066	50	10	BBGE	
C[C@@H]1COCCN1CCCCC(=O)NN	82467549	JDGXBUKQVHAHDN-SECBINFHSA-N	215.297	-0.133	50	10	BBGE	
CN(CC(=O)NN)C[C@@H]1CCCCO1	82469528	VYGSTLKLCGHZNA-QMMMGPOBSA-N	201.270	-0.523	50	10	BBGE	
CN(C)CCN(C)CC(C)(C)C(=O)NN	86598006	PWCGBGILWBKTOI-UHFFFAOYSA-N	216.329	-0.504	50	10	BBGE	
C[C@@H](CN(CC(N)=O)C1CCCC1)C(=O)NN	110589208	NSCNRGSXCLWZKS-QMMMGPOBSA-N	242.323	-0.658	50	10	BBGE	
OB(O)c1ccc(COC[C@H]2CCOC2)cc1	199071975	NWTZDKAUQOIDMJ-NSHDSACASA-N	236.076	-0.081	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC[C@@H](N(C)C)C1	223093444	XPKRRCHHRGNMMP-BDAKNGLRSA-N	214.313	-0.609	50	10	BBGE	
COc1ccc(OCCN(C)C)c(B(O)O)c1	228666717	IJYADEPXWYDYST-UHFFFAOYSA-N	239.080	-0.685	50	10	BBGE	
O=C1C[C@H](N2CC[C@@H](Br)C2=O)CN1	229107763	AYJWBBUFLYSAJS-NTSWFWBYSA-N	247.092	-0.129	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCCNC1	234325827	NTXRJASARQOKEA-SNVBAGLBSA-N	242.323	-0.915	50	10	BBGE	
O[C@H]1CN(CCBr)C[C@H]1O	236573361	QTLDNPIAZCBCSA-OLQVQODUSA-N	210.071	-0.581	50	10	BBGE	
COC(=O)NN[C@@H](CCCCN)C(=O)O	238314990	KXDZCSLSTGOBHD-LURJTMIESA-N	219.241	-0.571	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@]12CCOC2	310508222	LAEOSFKKJCQOEV-GXSJLCMTSA-N	243.307	-0.754	50	10	BBGE	
NNC(=O)c1ccccc1Cn1ccncc1=O	310966613	UZHHYGDYBZIPJS-UHFFFAOYSA-N	244.254	-0.105	50	10	BBGE	
OC[C@H]1CN(CCOCCCl)C[C@@H]1O	316122242	LRJIQTTUOSEPFV-BDAKNGLRSA-N	223.700	-0.473	50	10	BBGE	
CNC(=O)C[C@H](C)NC(=O)NC(=O)[C@H](C)Cl	322747461	BQKFJJQWAHOSCC-WDSKDSINSA-N	249.698	-0.036	50	10	BBGE	
CCOC(=O)C1=CN/C(=C\C=O)NC1=O	383981151	XEVPRTYUVPNTKE-XVNBXDOJSA-N	210.189	-0.807	50	10	BBGE	
C[C@H](CN1CC(O)(C2CC2)C1)C(=O)NN	384013439	WKLCIKZBZFWZGH-SSDOTTSWSA-N	213.281	-0.931	50	10	BBGE	
COCCN=c1[nH]c(CCl)nc(=N)[nH]1	389236372	WHSPXSYEHQFOSE-UHFFFAOYSA-N	217.660	-0.497	50	10	BBGE	
C[C@H](Cl)C(=O)c1cc(CO)ccc1B(O)O	396040945	NQEYBPBWJMFWGK-LURJTMIESA-N	242.467	-0.331	50	10	BBGE	
Nc1ccc2c(B(O)O)csc2c1C(=O)O	396242223	JLHUQHNKJLKTSC-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
OCc1c(B(O)O)c(O)cc2ccsc12	396345235	PKLINKJBQKPQQE-UHFFFAOYSA-N	224.046	-0.221	50	10	BBGE	
C[C@@H]1N[C@H](Br)[C@@H]([N+](=O)[O-])N1	585664318	MZIGAFSLBFKOQL-FLRLBIABSA-N	210.031	-0.151	50	10	BBGE	
C=C[C@@H](C(=O)O)N1CCC(O)(C#N)CC1	692166522	DXYPNEHNBMWOPD-QMMMGPOBSA-N	210.233	-0.024	50	10	BBGE	
COC[C@H](O)CN(C)[C@@H](CC(C)C)C(=O)NN	695061094	MPDIQVCDPUSPMT-ZJUUUORDSA-N	247.339	-0.670	50	10	BBGE	
C[C@@H](Cl)[C@@H](C)NC(=O)c1nnn(C)n1	697201734	UKGVVZWDAHLWDL-RFZPGFLSSA-N	217.660	-0.044	50	10	BBGE	
C[C@]1(CO)C[C@@H](O)CN1C(=O)CCl	698216991	VOUSBMNXZSDIHL-HTRCEHHLSA-N	207.657	-0.431	50	10	BBGE	
CCCOCCOC(=O)NCB(O)O	701942211	DWNKEKNYPMPWMA-UHFFFAOYSA-N	205.019	-0.849	50	10	BBGE	
CN(C(=O)c1nnn(C)n1)[C@@H]1COC[C@@H]1Cl	709265633	FNKZBSQURHDZLA-NTSWFWBYSA-N	245.670	-0.712	50	10	BBGE	
CC[C@H](C)C(=O)NCc1ncc(B(O)O)s1	714611085	QJJFWEADNZPLOH-LURJTMIESA-N	242.109	-0.515	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2COC[C@@H]2C1	718251054	DZUDKVWCMUMASK-LPEHRKFASA-N	227.308	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)N1[C@H]2CC[C@H]1CC(CO)C2	719155894	SMTTYWIPRUZDLG-JEZHCXPESA-N	227.308	-0.400	50	10	BBGE	
CN(Cc1[nH]nn[n+]1C)[S@@+]([O])(=O)CCl	725703068	ALWYVFAXQQUQCO-UHFFFAOYSA-O	240.696	-0.983	50	10	BBGE	
CCCN(C)S(=O)(=O)NNC(=O)C(C)C	765031107	VQXBWNMXNSHUPT-UHFFFAOYSA-N	237.325	-0.150	50	10	BBGE	
COC(=O)[C@H]1CCCC(=NNC(=O)CO)C1	794923215	XMHAUSNQALEFEJ-ZETCQYMHSA-N	228.248	-0.186	50	10	BBGE	
CC[C@H](C(=O)NN(C)CCOC)C(=O)OC	816562192	CAYPTEWJCMTMIN-MRVPVSSYSA-N	232.280	-0.205	50	10	BBGE	
CCNC(=O)N(C)NC(=O)[C@@H](N)C(F)(F)F	831944622	DBJISUIXOYKKKS-SCSAIBSYSA-N	242.201	-0.432	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@H]1CC(=O)N(C)N1	953096161	KEPICJVBIPJEID-NTSWFWBYSA-N	219.672	-0.535	50	10	BBGE	
CNC(=S)N(C)NC(=O)CCCCC(N)=O	1261744935	UOAUNEMJDGIPFO-UHFFFAOYSA-N	246.336	-0.501	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCCC(=O)N1	1297761453	XTZRTPSUWBMJSZ-MRVPVSSYSA-N	229.280	-0.736	50	10	BBGE	
CC(C)NC(=O)NNC(=O)C[C@@H]1CCNC1=O	1333088707	AUCHUTFRTHBQRJ-ZETCQYMHSA-N	242.279	-0.749	50	10	BBGE	
COCCN(C)NC(=O)c1nsnc1O	1556571244	FXAUVNKCQXUVCY-UHFFFAOYSA-N	232.265	-0.533	50	10	BBGE	
NC(=O)CC[C@@H](NC(=O)CCCl)C(=O)O	1866011423	KQWZCBWXFBVJGJ-RXMQYKEDSA-N	236.655	-0.550	50	10	BBGE	
COCCS(=O)(=O)CCNC(=O)F	1884134886	WHWXQQSBGDVARZ-UHFFFAOYSA-N	213.230	-0.273	50	10	BBGE	
N#C[C@@H](Cl)CN1CC2(CNC(=O)N2)C1	1884965729	FFLDLDNDGSJYMZ-ZCFIWIBFSA-N	214.656	-0.515	50	10	BBGE	
C[C@@H](C(=O)NCC(Cl)Cl)N1CC(N)C1	1887433952	SEUOOAMNQIIAEQ-YFKPBYRVSA-N	240.134	-0.062	50	10	BBGE	
NNC(=O)C(F)(F)CS[C@H]1CC[C@@H]1N	1887485844	MFTIGUGJBJTCCR-WHFBIAKZSA-N	225.264	-0.166	50	10	BBGE	
COC[C@@H](C)CNC(=O)NNCCO	1889499847	HZGHLESDWQVRRA-ZETCQYMHSA-N	205.258	-0.935	50	10	BBGE	
CNCCOCCNC(=O)[C@@H]1C[C@@H]1Cl	1893454177	UMHZVQJYGXGTCC-SFYZADRCSA-N	220.700	-0.034	50	10	BBGE	
NS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H]1Cl	1893469091	FMYOXLOCFBLNGQ-WDSKDSINSA-N	240.712	-0.592	50	10	BBGE	
C[C@H](CCl)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1	1895612630	YYQIHNCJQMMVQO-CSMHCCOUSA-N	247.726	-0.620	50	10	BBGE	
CNC(=O)CSC[C@@H]1CC[C@H](C(=O)NN)C1	1895941309	PEPPNYLYZQCGRY-SFYZADRCSA-N	245.348	-0.128	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC[C@@H]2COC[C@H]21	1897311679	JVUSTMBUDVIPEQ-OPRDCNLKSA-N	227.308	-0.134	50	10	BBGE	
C[C@]12CC[C@H]1CN(CCOCC(=O)NN)C2	1898201820	CUTMDKWUAFWOPG-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
NNC(=O)CN1CC[C@@H](O)C[C@@H]1C(F)(F)F	1899998022	JOVBJJFNYFKXMY-PHDIDXHHSA-N	241.213	-0.636	50	10	BBGE	
CN(NC(=O)[C@H]1C[C@@H](N)C1)S(=O)(=O)C1CC1	1901359034	HLTGGXRVEFBQTP-KNVOCYPGSA-N	247.320	-0.821	50	10	BBGE	
C=CCCS(=O)(=O)N1CC[C@](C)(B(O)O)C1	1902511920	KKJIJXIMYIFYAA-VIFPVBQESA-N	247.125	-0.169	50	10	BBGE	
Cc1nc(CN2CC[C@](C)(B(O)O)C2)n[nH]1	1902518901	ZBZKCVUWJVATQY-VIFPVBQESA-N	224.073	-0.448	50	10	BBGE	
C[C@@H](O)[C@@H](C)Nc1cc(B(O)O)c(F)cn1	1903010701	SHWLOHZUMPTFAX-PHDIDXHHSA-N	228.032	-0.918	50	10	BBGE	
CN(CC(F)(F)C(=O)NN)C1(CO)CCC1	1915003120	PLOUJNVGRIXSRO-UHFFFAOYSA-N	237.250	-0.542	50	10	BBGE	
CCC[C@H](C(=O)NN)N(C)[C@H](C)CCO	1917043775	WOYNBBHGMXPBHV-RKDXNWHRSA-N	217.313	-0.152	50	10	BBGE	
CO[C@@H]1CCN(C[C@H]2C[C@H]2C(=O)NN)C1	1927913681	LTDXBJZQAUCZQR-IWSPIJDZSA-N	213.281	-0.667	50	10	BBGE	
O=C(NCB(O)O)N1C[C@@H]2CCC[C@H]2C1	1927958526	DPGDWHTZZGQYLC-YUMQZZPRSA-N	212.058	-0.560	50	10	BBGE	
C[C@H](NC(=O)C(=O)NN)[C@H]1CCCSC1	1928374326	CJNLBOQQOILTAI-BQBZGAKWSA-N	231.321	-0.376	50	10	BBGE	
CCON(CC)CCOCC(=O)NN	1928665769	NWGBFLNSVJDWPR-UHFFFAOYSA-N	205.258	-0.734	50	10	BBGE	
CO[C@H]1CN(CCCC(=O)NN)C[C@@H]1F	1928692789	TUJWOXUGGPWOPJ-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
O=C(Cc1cccc(F)c1)NNCCO	1929836680	NPRZEMLGYSLFHS-UHFFFAOYSA-N	212.224	-0.019	50	10	BBGE	
CC1(C)[C@@H]2CC(C(=O)NCB(O)O)C[C@H]21	1930375913	JCGUBIWXWMTLRH-HTQZYQBOSA-N	211.070	-0.203	50	10	BBGE	
NNC(=O)CN1C[C@H]2[C@@H](O)CCC[C@H]2C1	1930983465	VXJXYDHCTXPCRH-YIZRAAEISA-N	213.281	-0.931	50	10	BBGE	
COC[C@@H](C(=O)NN)N1C[C@@H]2C[C@]2(C)C1	1932262798	YPDJZDFMTQAVBQ-OYNCUSHFSA-N	213.281	-0.667	50	10	BBGE	
COC1(CO)CN(C(=O)[C@@H](C)Cl)C1	1935352141	UDLWBKZNHVKWBA-ZCFIWIBFSA-N	207.657	-0.167	50	10	BBGE	
CN(Cc1cnns1)C[C@H]1C[C@H]1C(=O)NN	1936094626	OSPCSLZXLDWWCO-HTRCEHHLSA-N	241.320	-0.404	50	10	BBGE	
O=C(NCB(O)O)[C@H]1C(F)(F)C12CCCC2	1938866110	QADNMGDBEOUCNU-ZCFIWIBFSA-N	233.023	-0.060	50	10	BBGE	
CN(C)[C@H]1[C@@H]2CN(C[C@@H]3C[C@H]3C(=O)NN)C[C@@H]21	1941095624	ZFWDPBMLSXLSBT-OGBGREFGSA-N	238.335	-0.896	50	10	BBGE	
O=C1CN([C@H]2CCO[C@]23CCOC3)CC(=O)O1	1941135394	DOICMNYHXPIEOQ-KWQFWETISA-N	241.243	-0.680	50	10	BBGE	
O=C(Nc1cccc(B(O)O)n1)[C@@H]1CC1(F)F	1942459408	UOYAFIUXYXZTNZ-YFKPBYRVSA-N	241.990	-0.645	50	10	BBGE	
O=C(COc1ccc(F)cc1F)NNCCO	1944213804	NPCWLZJXBGHNLF-UHFFFAOYSA-N	246.213	-0.043	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H](O)C2	1949270952	LKBVVWGRYJVIIE-LADJIXMOSA-N	241.335	-0.011	50	10	BBGE	
CN(CC(N)=O)C[C@@H](O)CBr	1953288069	UWLFXQMTMDYGSC-YFKPBYRVSA-N	225.086	-0.841	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC2(F)CC1C2	1956497958	LGXIIFNMQSAAEH-SXJRXYEXSA-N	201.245	-0.059	50	10	BBGE	
CN(c1nc(B(O)O)cs1)C1(C)CC1	1956966295	SQCPCKRBDXTMMP-UHFFFAOYSA-N	212.083	-0.188	50	10	BBGE	
C[C@@H](CN1CCO[C@@H](CF)C1)C(=O)NN	1961592902	QIWXDZPEPSQCJU-YUMQZZPRSA-N	219.260	-0.717	50	10	BBGE	
CCCOC1CN(C[C@H]2C[C@H]2C(=O)NN)C1	1976057290	CGMBOHFXNAPXQD-PSASIEDQSA-N	227.308	-0.277	50	10	BBGE	
CN1CCN(C[C@@H]2C[C@@H]2C(=O)NN)[C@@H]2C[C@H]21	1980229975	XPSTWEXOYPFUOY-AXTSPUMRSA-N	224.308	-0.999	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2O	1981543813	RGDRJFKOHLZOAZ-WSSOQDAQSA-N	227.308	-0.542	50	10	BBGE	
C[C@@H]1OC2(Cn3ccc(B(O)O)n3)CC1C2	1988149125	DQWRRMZLGIRTLQ-JEUQWKINSA-N	222.053	-0.870	50	10	BBGE	
CN(C[C@H]1C[C@@H]1CF)c1nc(B(O)O)cs1	1989261129	WMDHCQMMPUKREM-RNFRBKRXSA-N	244.100	-0.135	50	10	BBGE	
C[C@@H](CN1CCC[C@H](O)C1(C)C)C(=O)NN	1991458999	DBHZQBUSARUFAD-IUCAKERBSA-N	229.324	-0.152	50	10	BBGE	
C[C@@H](O)[C@@H]1CN(C(=O)C=CC(=O)Cl)CCO1	1991648888	UVTIJNFUKNUUFH-SFYZADRCSA-N	247.678	-0.084	50	10	BBGE	
CNCc1nc(NC(=O)/C=C/C(=O)Cl)n[nH]1	1991713370	RULLIYSPSZXJQL-NSCUHMNNSA-N	243.654	-0.216	50	10	BBGE	
C[C@@H]1C[C@@H](C(=O)NCC#CB(O)O)CCS1	1992134642	MRCSPULPJRKASZ-BDAKNGLRSA-N	241.121	-0.350	50	10	BBGE	
CCON(C)C[C@]12C[C@](C(=O)NN)(CO1)C2	1993891682	UGZQTIMPZCTWCQ-MGCOHNPYSA-N	229.280	-0.591	50	10	BBGE	
Cc1nc([C@@H]2CCN2[C@@H](C)CC(=O)NN)no1	1997764178	GEZWDESKFIVGOB-XPUUQOCRSA-N	239.279	-0.107	50	10	BBGE	
CCCOCC1CN([C@H](COC)C(=O)NN)C1	2001339994	OTOIRJCQPBFHFI-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
NNC(=O)CCN1CC[C@H](CN2CCCC2)C1	2003904591	JDUYEKRZVGPDKX-LLVKDONJSA-N	240.351	-0.216	50	10	BBGE	
CCN(C[C@H]1C[C@H]1C)c1ncncc1B(O)O	2004912378	SDEBNIODHPDPED-RKDXNWHRSA-N	235.096	-0.361	50	10	BBGE	
Cc1ncnc(N2CCCC23CC3)c1B(O)O	2004971048	LLDVRXPBTMPGTL-UHFFFAOYSA-N	233.080	-0.402	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CC3CC2(C)C3)n1	2005018829	ZAQILQSIDDFXJL-UHFFFAOYSA-N	233.080	-0.546	50	10	BBGE	
C[C@@H](CC(F)F)Cn1cc(B(O)O)ccc1=O	2008840410	LYMWELPULODALF-ZETCQYMHSA-N	245.034	-0.181	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC2(CO)CCC1CC2	2009105811	VRMHZWBUJQEOKK-BMQDGWLCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H](O)C1CN(C[C@H]2CC[C@@H](C(=O)NN)C2)C1	2010835102	KRKGXPAQAOWSHF-KXUCPTDWSA-N	241.335	-0.295	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CCC(=O)N(C)C	2014824128	LASHEOQAZKQJOA-DTWKUNHWSA-N	244.339	-0.589	50	10	BBGE	
Cc1nc(Oc2cccnc2)ncc1B(O)O	2015499439	HVVYDRFHNOZRSS-UHFFFAOYSA-N	231.020	-0.348	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@@H]1CC12CCC2	2015510906	ZJCQBSZDCJPVRT-VIFPVBQESA-N	233.076	-0.282	50	10	BBGE	
O=C(N[C@H]1CCC=C1B(O)O)[C@@H]1CCCOC1	2020060686	CKDFEUDTCCERCP-SCZZXKLOSA-N	239.080	-0.370	50	10	BBGE	
O=C(C[C@@H]1CCCO1)N[C@H]1CCC=C1B(O)O	2020060916	DHFWJXFZFBVIKM-WPRPVWTQSA-N	239.080	-0.228	50	10	BBGE	
O=C(C[C@@H]1CCCOCC1)NCC#CB(O)O	2021158033	WCRNZOVWPXKSNC-SNVBAGLBSA-N	239.080	-0.675	50	10	BBGE	
NNC(=O)[C@]12CO[C@](CN3CC4CC3C4)(C1)C2	2023851531	AKJXLCADOBGEST-YHXZETDISA-N	237.303	-0.380	50	10	BBGE	
C[C@@H](CN1[C@H](CO)CCC12CCC2)C(=O)NN	2025476635	SXQJSKCWAVQTSB-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
C[C@]12CC[C@@H]1CN(c1ccc(B(O)O)cn1)C2	2026846644	BQOWABITCQYJIC-BXKDBHETSA-N	232.092	-0.002	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2CCc1ccnnc1	2034405046	LMKRHQANJURMDG-NXEZZACHSA-N	247.254	-0.065	50	10	BBGE	
OB(O)c1ccc(CN2CCOC3(CC3)C2)cc1	2049342725	YPMXFEOBHRYANM-UHFFFAOYSA-N	247.103	-0.269	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1CC[C@H]2C[C@@H]2C1	2079011118	ZFUGHMWWMSJSLL-VHSXEESVSA-N	245.087	-0.152	50	10	BBGE	
OB(O)c1ccc(F)cc1OCc1ccnnc1	2086140041	XDGGDAPQANSFCA-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
O=C(C[C@@H]1CC12CC2)Nc1cc(B(O)O)ccn1	2086424241	JSHJNRBEBGUTCA-MRVPVSSYSA-N	246.075	-0.110	50	10	BBGE	
OB(O)c1ccnc(NCC2CC(F)C2)c1	2212602677	HXMAGDBCYDPUIV-UHFFFAOYSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1ccnc(N2CC=C(F)C2)c1F	2212605466	FLGOLVGXPAFMOW-UHFFFAOYSA-N	225.991	-0.426	50	10	BBGE	
COCC1(Nc2ccc(B(O)O)cn2)CCC1	2217175658	LQXFWDJAYHSVDN-UHFFFAOYSA-N	236.080	-0.258	50	10	BBGE	
N[C@H]1CCC[C@@H](Nc2cc(B(O)O)ccn2)C1	2217175909	PBQIYJLPNJAGPQ-VHSXEESVSA-N	235.096	-0.557	50	10	BBGE	
C[C@H]1OCC[C@H]1Nc1nccc(B(O)O)c1F	2217181185	YNQAZMIBCVPKLP-HTRCEHHLSA-N	240.043	-0.510	50	10	BBGE	
CC[C@H](C)[C@H](N)COc1cc(B(O)O)ccn1	2217192182	WQFUPEDCUCWXTO-WCBMZHEXSA-N	238.096	-0.486	50	10	BBGE	
CCC[C@H](CN)COc1ccc(B(O)O)cn1	2217193489	NIDDBCATXKPSRS-SECBINFHSA-N	238.096	-0.485	50	10	BBGE	
NC1CC(CCNc2ncccc2B(O)O)C1	2217199022	JJTVCYBEDVFBSO-UHFFFAOYSA-N	235.096	-0.699	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3NCC[C@@H]3C2)c1	2220063333	LGOVNUGQGYLQID-DGCLKSJQSA-N	246.119	-0.840	50	10	BBGE	
C[C@@H](Nc1ccc(B(O)O)cn1)C12CC(CO1)C2	2223633544	XVPAQWOLWIXCJN-YDNLMGDJSA-N	248.091	-0.259	50	10	BBGE	
Cc1cnc(NC[C@H]2CCCCN2)cc1B(O)O	2223652224	GVKGQRMNVHPIEQ-SNVBAGLBSA-N	249.123	-0.376	50	10	BBGE	
OB(O)c1ccnc(O[C@H]2CCC3(CC3)NC2)c1	2223657346	ZZPAVIAVETYJFI-JTQLQIEISA-N	248.091	-0.575	50	10	BBGE	
NNC(=O)COCCS[C@H]1CC[C@@H]1O	2242419297	PPNCOIQXWNYTCG-BQBZGAKWSA-N	220.294	-0.751	50	10	BBGE	
C[C@@]1(CO)C=CCCN1CCCC(=O)NN	2242607808	BRFHTZIDIJDASN-NSHDSACASA-N	227.308	-0.231	50	10	BBGE	
CC=C[C@H](C)NC(=O)c1ccc(B(O)O)o1	2243362813	WXZBOYSFSDYTKG-ZETCQYMHSA-N	223.037	-0.346	50	10	BBGE	
O=C1[C@H]2CCC[C@@H]2N1C(=O)C1(B(O)O)CC1	2243364063	QHPQUMSZSMKNPD-BQBZGAKWSA-N	223.037	-0.469	50	10	BBGE	
O=C(N[C@H]1C[C@@H](CCO)C1)[C@H]1C[C@@H]1B(O)O	2243383511	ZDADRDBVKQSVGB-KZVJFYERSA-N	227.069	-0.874	50	10	BBGE	
O=C(NCC1(F)CC1)c1occc1B(O)O	2243410622	FINKQPVZRJXRJM-UHFFFAOYSA-N	227.000	-0.809	50	10	BBGE	
CN[C@@H](C)CCNC(=O)[C@H]1C[C@@H](B(O)O)C1	2243417906	YFKYAZFKLGYNAS-XHNCKOQMSA-N	228.101	-0.646	50	10	BBGE	
COC[C@H](C)CCNC(=O)[C@H]1C[C@@H]1B(O)O	2243419670	DLHPKBQLXLGALE-VGMNWLOBSA-N	229.085	-0.362	50	10	BBGE	
O=C(NC[C@H]1CC[C@H]1O)[C@H]1C[C@H](B(O)O)C1	2243426456	IJNQQVYBRSSAKG-FNCVBFRFSA-N	227.069	-0.874	50	10	BBGE	
C=C(CS(=O)(=O)N1CCC[C@@H]1CC)B(O)O	2243434234	WDWGHTGYYOLFBA-VIFPVBQESA-N	247.125	-0.241	50	10	BBGE	
CO[C@@H](C)CSc1ncnc(C)c1B(O)O	2243665787	VWHLPELBKODSMB-LURJTMIESA-N	242.109	-0.408	50	10	BBGE	
CCC[C@H](NC(=O)[C@H]1C[C@@H]1B(O)O)C(=O)O	2243753667	YEGMPAHLICBWSR-ACZMJKKPSA-N	229.041	-0.781	50	10	BBGE	
COc1ccc(B(O)O)c(N2CC[C@H](C)C2)n1	2247152367	JRXGFWLSOIOWGG-QMMMGPOBSA-N	236.080	-0.384	50	10	BBGE	
C[C@H]1CN(C(=O)C2(B(O)O)CCC2)CC[C@@H]1O	2247736254	TUSLPGGUSCZZCI-IUCAKERBSA-N	241.096	-0.387	50	10	BBGE	
C#C[C@H]1CCCN1C(=O)c1ccc(B(O)O)s1	2247739252	ZKVYVDSQXJCPCW-QMMMGPOBSA-N	249.100	-0.334	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@]12CCC[C@H]1OCC2	2247742263	MOWWGDUOHFMSPE-KOLCDFICSA-N	237.064	-0.923	50	10	BBGE	
O=C(c1ccc(F)cc1B(O)O)N1CC=CC1	2247752162	JWSDIVABFWZPQS-UHFFFAOYSA-N	235.023	-0.483	50	10	BBGE	
O=C(N[C@H]1CCCC[C@H]1CO)C1(B(O)O)CC1	2247753487	HPFJBIPGPLIKRX-IUCAKERBSA-N	241.096	-0.339	50	10	BBGE	
CCN1CCC[C@H]1CNC(=O)C1(B(O)O)CC1	2247757946	YMWGSPQIGRJHAB-VIFPVBQESA-N	240.112	-0.406	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1CC2(CCOC2)C1	2247798854	XSQOSPMMIXABCL-KYZUINATSA-N	239.080	-0.512	50	10	BBGE	
Cn1ccnc1CNC(=O)C1CC(B(O)O)C1	2247800373	OIBABCLWWPYEGH-UHFFFAOYSA-N	237.068	-0.711	50	10	BBGE	
NC1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2247807330	QORRUIYDSAZDIN-JBDRJPRFSA-N	238.096	-0.955	50	10	BBGE	
CN(C[C@H]1C[C@@H]1F)C(=O)c1cc(B(O)O)c[nH]1	2247850397	ODQBPHLHLISQMB-SVRRBLITSA-N	240.043	-0.876	50	10	BBGE	
C[C@@H]1C[C@H]1CN(C)C(=O)c1cc(B(O)O)c[nH]1	2247850680	RMKFCGPYDCMWLX-SFYZADRCSA-N	236.080	-0.578	50	10	BBGE	
CC=CCNC(=O)c1cccc(C)c1B(O)O	2247873984	INLYZNQGWVENPJ-UHFFFAOYSA-N	233.076	-0.019	50	10	BBGE	
O=C(NCCc1cnoc1)C1(B(O)O)CCC1	2247877484	BDJBECWJQJRCKD-UHFFFAOYSA-N	238.052	-0.270	50	10	BBGE	
CN(CCCCCCN)C(=O)[C@@H]1C[C@H]1B(O)O	2247886897	HOKJDYHQANKZDT-NXEZZACHSA-N	242.128	-0.173	50	10	BBGE	
CC1(C)C[C@H](CO)N(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2247887832	SCANVGURSGVZSM-IWSPIJDZSA-N	241.096	-0.531	50	10	BBGE	
CC1(C)OCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1B(O)O	2247899269	LYLLQIXGJOWSBH-VGMNWLOBSA-N	241.096	-0.219	50	10	BBGE	
Cc1cc(CNC(=O)[C@H]2C[C@H]2B(O)O)n(C)n1	2247899407	NEHDSIGQNWQZQG-DTWKUNHWSA-N	237.068	-0.792	50	10	BBGE	
C[C@@H]1CN(C)C[C@@H]1NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247900449	WUUMUDBZUHNSEA-IMSYWVGJSA-N	240.112	-0.694	50	10	BBGE	
CC1(CC(=O)O)CN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2248587811	UWVWXMZBSPAWKK-BQBZGAKWSA-N	241.052	-0.828	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H](C)C(=O)O	2248589966	XFTIOHXHZLHUMA-INFAEJQFSA-N	243.068	-0.535	50	10	BBGE	
CC1(C)CCCN1C(=O)c1ccncc1B(O)O	2255451821	AAJLAJRUDKYNGD-UHFFFAOYSA-N	248.091	-0.224	50	10	BBGE	
O=C(C#CB(O)O)Nc1ccc(O)c([N+](=O)[O-])c1	2255467450	NIBKRCHJYQCVIK-UHFFFAOYSA-N	249.975	-0.746	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2CCCC[C@@H]21	2255472569	GPSXGDHJFGUONY-SCZZXKLOSA-N	249.075	-0.026	50	10	BBGE	
Cc1c(B(O)O)cccc1C(=O)N=c1cc[nH][nH]1	2255515050	RRMYQILNARIOSG-UHFFFAOYSA-N	245.047	-0.928	50	10	BBGE	
CC[C@H](NC(=O)c1cncc(B(O)O)c1)C1CC1	2255717655	LZWNXFLBZOBHAC-NSHDSACASA-N	248.091	-0.320	50	10	BBGE	
N[C@@H](CNC(=O)[C@@H]1C[C@@H]1B(O)O)c1ccccc1	2255770475	QHBUGIJMNJVMOF-VWYCJHECSA-N	248.091	-0.335	50	10	BBGE	
O=C(Nc1cccc(B(O)O)c1)N1CC[C@H]2C[C@H]21	2255892226	ZHUUQYWAHJJISW-GZMMTYOYSA-N	246.075	-0.008	50	10	BBGE	
O=C(NC1CCCCC1)c1nccnc1B(O)O	2256062419	WQEDIYOECZACEK-UHFFFAOYSA-N	249.079	-0.781	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@H]1CC1(C)C	2257492477	WCTIDYWEPTWCCN-SECBINFHSA-N	248.091	-0.402	50	10	BBGE	
Cc1cc(B(O)O)cnc1C(=O)N[C@@]1(C)C[C@@H]1C	2257494768	OOVFUFFVXRUACW-UFBFGSQYSA-N	248.091	-0.402	50	10	BBGE	
O=C(c1cocc1B(O)O)N1CC[C@H](C2CC2)C1	2258122661	FSPPCYYICATJID-VIFPVBQESA-N	249.075	-0.169	50	10	BBGE	
Cc1cn(C)c(NC(=O)c2cocc2B(O)O)n1	2258123029	KKCSYFMRUFLXOQ-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C#CCN(CC1CC1)C(=O)c1cocc1B(O)O	2258130078	BEFAOLJLBAATIL-UHFFFAOYSA-N	247.059	-0.555	50	10	BBGE	
C=C[C@@H](C)CCNC(=O)c1cncc(B(O)O)c1	2260233441	MAEQMWWQHZALIH-SECBINFHSA-N	248.091	-0.297	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1CCC[C@@H]2COC[C@@H]21	2298370318	VOJFPOIPSMRQGL-RGOKHQFPSA-N	239.080	-0.513	50	10	BBGE	
CC[C@@]1(C)[C@H](O)CCN1CC(=O)NNC(C)=O	2299872811	KZUIKOLFVXCDJP-KOLCDFICSA-N	243.307	-0.611	50	10	BBGE	
COCC1CN(CCC[C@@H]2C[C@@H]2C(=O)NN)C1	2300369937	IZUCXKYXIZXNDV-MNOVXSKESA-N	241.335	-0.029	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CCCN1CCOCCO1	2300376452	YMTLWRAWIPFVCC-NXEZZACHSA-N	243.307	-0.344	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1-n1cc(F)cn1	2301325035	KQWWGGAQYXJMEJ-UHFFFAOYSA-N	230.995	-0.437	50	10	BBGE	
CNC(=O)[C@H](C)N(C)[C@@H](C)CCCC(=O)NN	2302049451	HETDCTPBPGSERM-IUCAKERBSA-N	244.339	-0.399	50	10	BBGE	
C[C@]1(B(O)O)CCN([C@@H]2CCCCNC2=O)C1	2303098804	HFDYPEJYABJOCT-KOLCDFICSA-N	240.112	-0.406	50	10	BBGE	
COCCOC[C@@H]1CC[C@H](C(=O)NN)O1	82463655	CQGMQSFTULGREG-JGVFFNPUSA-N	218.253	-0.813	50	10	BBGE	
NNC(=O)C(F)(F)OC1CCOCC1	82465554	VZNWWHUNGAQCPZ-UHFFFAOYSA-N	210.180	-0.235	50	10	BBGE	
C[C@H](CN1CCn2ccnc2C1)C(=O)NN	82469261	WKTHQQZZSFGPJK-MRVPVSSYSA-N	223.280	-0.675	50	10	BBGE	
CCN(CC(=O)NC(C)C)[C@@H](C)C(=O)NN	82470140	BARFUGHEIZHOHU-QMMMGPOBSA-N	230.312	-0.789	50	10	BBGE	
NCCSCc1csc(C(=O)NN)n1	82473001	UMLNRYGRVDDPIV-UHFFFAOYSA-N	232.334	-0.062	50	10	BBGE	
CN(C)CCN(C)C(=O)NC(=O)CCl	82543283	JZPTWEAEMCIWIP-UHFFFAOYSA-N	221.688	-0.045	50	10	BBGE	
COCCN(C)[C@H](C)[C@H](C)C(=O)NN	86313626	OIACNUCRLJNEAT-JGVFFNPUSA-N	203.286	-0.421	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)n1ccc(C(N)=O)n1	86313856	GJIWHAOMYDNSTK-WDSKDSINSA-N	225.252	-0.831	50	10	BBGE	
CC(C)CN(CC(N)=O)CC(C)(C)C(=O)NN	93728005	VHBOLZBFISRJGN-UHFFFAOYSA-N	244.339	-0.554	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1nccn1C	104107377	XTRHCVSQGRLLGX-JTQLQIEISA-N	239.323	-0.134	50	10	BBGE	
CN1CC[C@H](CN2CC(=O)OC(=O)C2)C1	111217714	DUXRDBXBPDETBJ-QMMMGPOBSA-N	212.249	-0.677	50	10	BBGE	
O=C(NNC(=O)C(F)(F)F)[C@H]1CCCN1	113812690	VKVKDVYOUURKNU-SCSAIBSYSA-N	225.170	-0.552	50	10	BBGE	
CNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl	125226990	WSOMJCSNDPCTPC-UHNVWZDZSA-N	226.685	-0.680	50	10	BBGE	
CCNC(=O)CCNC(=O)NC(=O)[C@@H](C)Cl	163530169	ULMFUHKSTMMRGW-ZCFIWIBFSA-N	249.698	-0.034	50	10	BBGE	
CC(C)[C@@H](N)C(=S)N[C@@H](C)B(O)O	210105281	FCIPTNLVYILXGV-NTSWFWBYSA-N	204.104	-0.713	50	10	BBGE	
COC[C@H](C(=O)NN)N1CC[C@@H](C(C)C)C1	232420737	XKSQKLGDYLZFJR-NXEZZACHSA-N	229.324	-0.031	50	10	BBGE	
COC(=O)[C@@H](Br)CN[C@@H](C)CO	234596619	MMDIXIKXBHYMJU-WDSKDSINSA-N	240.097	-0.107	50	10	BBGE	
CCN1CCOc2ccc(B(O)O)cc21	238241036	OXQKWWFYMZEFIM-UHFFFAOYSA-N	207.038	-0.415	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2CC[C@H](C1)O2	252600029	LFHHZBLCXGKBKY-QCLAVDOMSA-N	227.308	-0.136	50	10	BBGE	
Cn1nnc(CN[C@H]2COC[C@@H]2Cl)n1	306196672	KYBIJHBRGWOZOC-WDSKDSINSA-N	217.660	-0.694	50	10	BBGE	
C[C@H](Br)C(=O)N[C@@H]1COC[C@H]1O	306357856	YDCJCNVFHHJUTF-KVQBGUIXSA-N	238.081	-0.354	50	10	BBGE	
C=CCCS(=O)(=O)NNC(=O)CC	308310339	QXBMCRVAYHUXRQ-UHFFFAOYSA-N	206.267	-0.077	50	10	BBGE	
NC(=O)N/N=C/CCN1C(=O)CCC1=O	308672349	KPOQMQGTQOYHNT-ONNFQVAWSA-N	212.209	-0.820	50	10	BBGE	
COC(=O)NCc1cccc(B(O)O)c1	379929839	VPDNLOZUQVWJKP-UHFFFAOYSA-N	209.010	-0.778	50	10	BBGE	
NC(=O)C1CN(S(=O)(=O)CCCCl)C1	381923573	NKXJOCPRINUFMO-UHFFFAOYSA-N	240.712	-0.638	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CC(=O)NNC(C)=O	385900523	OUOVJLNTFZBJAH-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
CC(=O)Cc1ccc(C#N)cc1B(O)O	396087320	AXELMALFIQPGML-UHFFFAOYSA-N	203.006	-0.630	50	10	BBGE	
N#Cc1ccc2cc(B(O)O)sc2c1CO	396224916	PPEIWWCVCPDLBC-UHFFFAOYSA-N	233.057	-0.055	50	10	BBGE	
Cc1ncc(CN2CC(=O)OC(=O)C2)o1	397936579	HYSPWCKNBFHMEV-UHFFFAOYSA-N	210.189	-0.132	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N(C)Cc1cnns1	400045613	VERLHFFDJFYWCA-MRVPVSSYSA-N	243.336	-0.016	50	10	BBGE	
Cc1cc(N[S@](C)=O)cc(B(O)O)c1	404858645	BNDGFEAZGISZCR-AWEZNQCLSA-N	213.067	-0.620	50	10	BBGE	
CCS(=O)(=O)Nc1cc(C)ccc1B(O)O	404862665	WIIYNLVTJUTZQU-UHFFFAOYSA-N	243.093	-0.564	50	10	BBGE	
Cc1cc(NC(=O)c2ccon2)ccc1B(O)O	404973707	UORBQUJKDJJIQG-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
CCO/C=C(/C#N)C(=O)NC[C@](C)(O)CO	491081366	FZKVUMZEVBJXBB-NVDWLVSRSA-N	228.248	-0.710	50	10	BBGE	
Cc1nn(C)cc1COc1ccc(B(O)O)cc1	584911238	ZSPFCAXVIGBVCH-UHFFFAOYSA-N	246.075	-0.013	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@H](F)C2)O1	689824399	CTHZZTDMBZRIKM-CIUDSAMLSA-N	231.271	-0.432	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCOC(C)(C)C	690108982	YBNDHQOTGJQJBL-VIFPVBQESA-N	247.339	-0.262	50	10	BBGE	
C[C@H](CN1[C@H]2CC[C@H]1COC2)C(=O)NN	695048107	DQHSBJRAMHGQMM-VGMNWLOBSA-N	213.281	-0.524	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1C[C@H](O)C[C@@H]1C	695087325	MWWCOTKHCZFEAJ-IVZWLZJFSA-N	229.324	-0.154	50	10	BBGE	
NNC(=O)c1cc(CN2CC3(COC3)C2)on1	697133624	OTTGAZUWXIMVGV-UHFFFAOYSA-N	238.247	-0.890	50	10	BBGE	
Cc1nccnc1CN(C)CCC(=O)NN	700078738	PLDYUPHYYSICBU-UHFFFAOYSA-N	223.280	-0.403	50	10	BBGE	
C[C@H](CC(=O)NN)N1C[C@@H]2CN(C)C[C@]2(C)C1	702396877	BIZLEZWPTRFQCC-JFGNBEQYSA-N	240.351	-0.362	50	10	BBGE	
O=C=NCOCC(F)([N+](=O)[O-])[N+](=O)[O-]	706510520	DOHXABVTCYPJMG-UHFFFAOYSA-N	209.089	-0.527	50	10	BBGE	
COCCOC1CN([C@H](C)CC(=O)NN)C1	707347571	UCUBCJWGKQBJTJ-MRVPVSSYSA-N	231.296	-0.898	50	10	BBGE	
CC[C@]1(C)COCCN1CCC(=O)NN	708303623	QQUMZDXJAVREEY-SNVBAGLBSA-N	215.297	-0.133	50	10	BBGE	
NNC(=O)C(=O)N1CCC(F)(C2CC2)CC1	724800532	NWCNJWFOQMBELT-UHFFFAOYSA-N	229.255	-0.283	50	10	BBGE	
CCOCC(=O)NN=Cc1nccn1C	731154003	OXDQEERXOONJHS-UHFFFAOYSA-N	210.237	-0.093	50	10	BBGE	
COC[C@H](C)CC(=O)NNC(=O)c1cnn[nH]1	755332124	CMHNQSCTXOAOPH-ZCFIWIBFSA-N	241.251	-0.762	50	10	BBGE	
CN(NC(=O)[C@@H]1CCC(C)(C)O1)C(N)=O	787486651	ZWCDPKFFUFVBPO-LURJTMIESA-N	215.253	-0.014	50	10	BBGE	
O=C(O)C1CC(=NNC(=O)[C@@H]2COCCO2)C1	814861319	RAQSLSDORIETRH-XDKWHASVSA-N	242.231	-0.631	50	10	BBGE	
O=C(CO)NNC(=O)[C@H]1C[C@@H]1C1CCCC1	846636183	DCWLKAVQMMOAPQ-BDAKNGLRSA-N	226.276	-0.048	50	10	BBGE	
C#CCCCC(=O)NNC(=O)[C@@H](O)C(C)(C)O	887151747	JGHKLPQPRMDSTL-SECBINFHSA-N	242.275	-0.931	50	10	BBGE	
CN1CC[C@@H](CC(=O)NNc2nc[nH]n2)C1	897778313	YUSIRIQGVJQNSI-ZETCQYMHSA-N	224.268	-0.410	50	10	BBGE	
C[C@@H](C(=O)NNC(=O)CO)C(=O)OC(C)(C)C	1306820914	ONSSRGPHHWTGPZ-LURJTMIESA-N	246.263	-0.896	50	10	BBGE	
C#CCCNC(=O)NNC(=O)c1cnn(C)c1	1318579540	XSXNFPMYQYMSDA-UHFFFAOYSA-N	235.247	-0.613	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCCO1)c1ncon1	1439776292	XOQXDCJGKYFJAE-ZCFIWIBFSA-N	240.219	-0.600	50	10	BBGE	
CNC(=O)NNC(=O)[C@H](O)C1CCC1	1442127058	BMBWBMBLVVBOSH-ZCFIWIBFSA-N	201.226	-0.892	50	10	BBGE	
O=C(NNc1ncccn1)c1cc(=O)cc[nH]1	1543288239	KMBVLLIGGGHUDH-UHFFFAOYSA-N	231.215	-0.078	50	10	BBGE	
CC(C)C(=O)NNC(=O)C[C@H]1CCC(=O)NC1	1618665082	ASXJKHOECKZBSA-MRVPVSSYSA-N	241.291	-0.294	50	10	BBGE	
O=C(Cl)C=CC(=O)N1C[C@@H]2C[C@H]1CN2	1877509760	BSGYBTAFCPXQSL-BQBZGAKWSA-N	214.652	-0.119	50	10	BBGE	
C[C@@H](Cl)CC(=O)N1C[C@H](O)C[C@@H]1CO	1886211589	LJGHCYLQCLMHCR-BWZBUEFSSA-N	221.684	-0.042	50	10	BBGE	
COCCNC(=O)CNC[C@H]1C[C@H]1Cl	1893097393	BJPYRSOWKKKLEE-HTQZYQBOSA-N	220.700	-0.034	50	10	BBGE	
CN(C)C1(C)CN(C[C@@H]2C[C@H]2C(=O)NN)C1	1894364607	PBYZPFRJAJUYDQ-DTWKUNHWSA-N	226.324	-0.752	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	1900377742	ZXVSNEJFSZISAC-KATARQTJSA-N	227.308	-0.400	50	10	BBGE	
CC[C@@H](O)C(=O)Nc1ccccc1B(O)O	1901426778	XONQPCZEOYAORT-SECBINFHSA-N	223.037	-0.924	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@@](C)(O)CO1	1901772425	XLBMVCLFCBZJTL-PSASIEDQSA-N	231.296	-0.467	50	10	BBGE	
CO[C@H](C)CN(C)Cc1nc(B(O)O)cs1	1902638482	BQSOOYSPGLUAQA-SSDOTTSWSA-N	244.125	-0.710	50	10	BBGE	
NNC(=O)C12COC(CN3CCSC3)(C1)C2	1902746977	SFPQESPLDXCFJR-UHFFFAOYSA-N	243.332	-0.468	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@H](O)[C@@H](C)[C@H]1C	1903263951	CGSASLDHSNTNOT-JLIMGVALSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)[C@@H]2[C@@H](C1=O)C2(C)C	1905535134	SZWBGBCYDQRZNT-DTLFHODZSA-N	239.275	-0.604	50	10	BBGE	
C[C@@H]1C[C@]1(F)C(=O)NCC=CB(O)O	1905730688	BUCNGSGWAXXMSL-HTRCEHHLSA-N	201.006	-0.581	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1CC[C@H](C)O1	1910034324	DSYBUEKQRYZLMS-LPEHRKFASA-N	245.323	-0.509	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)CC3(CC3)C2)CC1	1926436779	ZERPSCPTUOUPEU-SECBINFHSA-N	239.319	-0.397	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(CO)C1	1928557724	YCPJHNJTBKWZRF-QXFUBDJGSA-N	213.281	-0.931	50	10	BBGE	
CO[C@H]1CN(CCC(=O)NN)C[C@@H]1F	1928692130	KRWDFEPCZKHMDK-BQBZGAKWSA-N	205.233	-0.965	50	10	BBGE	
CCOCCCO[C@@H](COC)C(=O)NN	1929797162	FWKMHEOQTWJZIO-QMMMGPOBSA-N	220.269	-0.566	50	10	BBGE	
NNC(=O)C1(CN2CC3(COC3)C2)CC1	1931267845	ZYGGULQSTYLHPK-UHFFFAOYSA-N	211.265	-0.911	50	10	BBGE	
C[C@H]1C[C@@H](CO)CN1CCCC(=O)NN	1934981552	REEYYWWUBDYISX-DTWKUNHWSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H]1[C@H](O)CCCN1C[C@@H]1C[C@H]1C(=O)NN	1936080215	IRJHAEVDQRSMOC-UTINFBMNSA-N	227.308	-0.542	50	10	BBGE	
COC[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1936088029	IZMNEFXQUGOTBK-KXUCPTDWSA-N	227.308	-0.419	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1[C@H]2CC[C@H]1COC2	1936094557	OHTWCUVBBRPRDN-XKNYDFJKSA-N	225.292	-0.524	50	10	BBGE	
CN(CCOCC(=O)NN)C[C@@H]1CCCS1	1936529216	KWTMJFMXRRVXDT-VIFPVBQESA-N	247.364	-0.180	50	10	BBGE	
CN(C)C[C@H](CCl)NC(=O)Cn1cncn1	1937147603	VHOMKBCVZRZEPK-QMMMGPOBSA-N	245.714	-0.437	50	10	BBGE	
CN1C[C@H](Cl)[C@H](NC(=O)c2cnn(C)n2)C1	1937191364	SYPWYTZCZGRQLP-POYBYMJQSA-N	243.698	-0.534	50	10	BBGE	
CC(=O)N1CCc2cccc(B(O)O)c2C1	1937506540	UARUCKFGWAWPTH-UHFFFAOYSA-N	219.049	-0.729	50	10	BBGE	
NNC(=O)C(=O)NC[C@@H]1C(F)(F)C12CCC2	1937509044	XFAPQEHOESRHDA-YFKPBYRVSA-N	233.218	-0.472	50	10	BBGE	
CC[C@]1(O)CCN(CC(F)(F)C(=O)NN)C1	1937983489	GOVWZPINZQYVJE-QMMMGPOBSA-N	237.250	-0.542	50	10	BBGE	
CCC[C@@]1(O)CCN(C[C@H](C)C(=O)NN)C1	1937987288	QNAKDIBTROFYBH-GXSJLCMTSA-N	229.324	-0.151	50	10	BBGE	
NNC(=O)COCCN1CCC[C@H]1CCCO	1941783702	COCZTVQYAKXVAZ-JTQLQIEISA-N	245.323	-0.770	50	10	BBGE	
Cc1ccc(CN(C)[C@H](C)CC(=O)NN)nn1	1941970706	AOKIXBPLRFVVCK-SECBINFHSA-N	237.307	-0.015	50	10	BBGE	
C[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCOC1	1951322031	QLOGYFABWKMSJP-PSASIEDQSA-N	227.069	-0.512	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(N(C)CC)C1	1961181010	SHGTZXDSDSHWGR-VIFPVBQESA-N	214.313	-0.609	50	10	BBGE	
CC[C@H](COC)N(C)CC(F)(F)C(=O)NN	1979241904	QSJQMSVUYSUXCS-SSDOTTSWSA-N	239.266	-0.032	50	10	BBGE	
C=C(CN1CC[C@H](OCCOC)C1)B(O)O	1992154498	ZGMQBMXWFZLXHD-JTQLQIEISA-N	229.085	-0.708	50	10	BBGE	
O=C1CN(C[C@@H]2CO[C@@H]3COC[C@H]32)CC(=O)O1	1996354480	BPRLRLSDAKDNFD-HRDYMLBCSA-N	241.243	-0.967	50	10	BBGE	
CN1C[C@H]2C[C@H]1CN(CC(C)(C)C(=O)NN)C2	1997865918	KNLCULBERKQHFW-ZJUUUORDSA-N	240.351	-0.362	50	10	BBGE	
CN1C[C@@H]2C[C@H](C1)CN2CC1(C(=O)NN)CC1	1997866574	SZAGAGNYRJVZDO-ZJUUUORDSA-N	238.335	-0.608	50	10	BBGE	
CCCNC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)NN	2003617713	HKJFVCZSPRELDO-IUCAKERBSA-N	242.323	-0.645	50	10	BBGE	
OB(O)c1cncnc1N1CCCC[C@H]1CF	2004911299	FGMIYLGSLFTAAJ-QMMMGPOBSA-N	239.059	-0.515	50	10	BBGE	
Cc1cc(N2CCOC[C@@H]2C)ncc1B(O)O	2004918602	NNDOAQGPRIXIQS-VIFPVBQESA-N	236.080	-0.705	50	10	BBGE	
OB(O)c1cnc(N2CC[C@H]3CCC[C@H]32)nc1	2004918839	QSQBMRUDKVQGBV-PSASIEDQSA-N	233.080	-0.465	50	10	BBGE	
CN(c1ccncc1B(O)O)[C@@H]1CC[C@@H]2C[C@H]21	2004930142	RJQHRUYBCQCQDB-FXPVBKGRSA-N	232.092	-0.004	50	10	BBGE	
Cc1ccnc(OC[C@H]2CCOC2)c1B(O)O	2004933896	AWSUNKTUVMCDTH-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
CO[C@@H]1CC[C@@H]1N(C)c1ncccc1B(O)O	2004934029	OYGXSZQJMAEMSL-VHSXEESVSA-N	236.080	-0.625	50	10	BBGE	
Cc1cc(O[C@H]2CO[C@H](C)C2)ncc1B(O)O	2004935578	OTJQXVVKXYBXFV-RKDXNWHRSA-N	237.064	-0.374	50	10	BBGE	
Cc1ncnc(O[C@H](C)C(F)(F)F)c1B(O)O	2004936341	YDUOPNSUCKTKRA-RXMQYKEDSA-N	249.985	-0.206	50	10	BBGE	
Cc1nc(N2CC[C@@](C)(F)C2)ncc1B(O)O	2004972366	DUXTZSZFSUOFPY-SNVBAGLBSA-N	239.059	-0.597	50	10	BBGE	
Cc1ncc(B(O)O)c(N2CCCC2(C)C)n1	2005014000	FBTONCJYKPWBBR-UHFFFAOYSA-N	235.096	-0.156	50	10	BBGE	
CO[C@@H](C)CN(C)c1ncc(C)cc1B(O)O	2005018854	ZJSOFXIEVUYLLN-VIFPVBQESA-N	238.096	-0.459	50	10	BBGE	
C[C@@H](C(=O)NN)[C@@H](C)N(C)C[C@H]1[C@@H]2COC[C@@H]21	2006197105	FMMPDMRUSIYOQR-ILAIQSSSSA-N	241.335	-0.175	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]2C1	2012901171	YXBCBFUKJFJGNS-ZDCRXTMVSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H]1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	2018140434	CKOIUVKRIVIKNX-YIZRAAEISA-N	241.291	-0.893	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1COC(C)(C)C1	2019209129	IYSBOAHIRQFSRL-VIFPVBQESA-N	243.307	-0.347	50	10	BBGE	
OB(O)c1cc(F)cc(Cn2cc(F)cn2)c1	2021029032	ARRVNPSYRUXPRP-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
OB(O)c1cc(F)ccc1Cn1cc(F)cn1	2021029843	MCHAXFWTAJSMDO-UHFFFAOYSA-N	238.002	-0.111	50	10	BBGE	
Cc1ccnn(CCC(F)(F)C(=O)NN)c1=O	2025230951	ZDDRPPCXFBYNII-UHFFFAOYSA-N	246.217	-0.433	50	10	BBGE	
Cc1nc(N2C[C@H]3[C@@H](C2)C3(C)C)ncc1B(O)O	2052554538	WDUQGBYCDJKJQW-DTORHVGOSA-N	247.107	-0.443	50	10	BBGE	
Cc1ncnc(N(C)C[C@H](C)C2CC2)c1B(O)O	2052556976	PZLUXSNBUZFJGU-QMMMGPOBSA-N	249.123	-0.053	50	10	BBGE	
CCc1c(B(O)O)ccc([N+](=O)[O-])c1C#N	2060283619	LSHHAXDOFMTKHS-UHFFFAOYSA-N	219.993	-0.291	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1B(O)O	2067550618	JOVZRBAMWBNYBW-ONGXEEELSA-N	247.103	-0.319	50	10	BBGE	
C[C@H]1CSC[C@H]1Nc1ncc(B(O)O)cn1	2212602288	BKLIUJJCQZJVIX-POYBYMJQSA-N	239.109	-0.680	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1ccc(B(O)O)cn1	2212603738	QULANZFDCYSQFJ-APPZFPTMSA-N	224.069	-0.667	50	10	BBGE	
CC[C@@H](CCO)Nc1ccc(B(O)O)cn1	2212604555	QFHYKDAMNOSSHD-VIFPVBQESA-N	224.069	-0.666	50	10	BBGE	
OB(O)c1ccnc(NCCOC(F)F)c1	2212610072	BVWXATORTJUUMT-UHFFFAOYSA-N	231.995	-0.588	50	10	BBGE	
C[C@@H]1[C@H](O)CCN1Cc1cccc(B(O)O)c1	2214605575	MVSHWKKMKXEHAC-BXKDBHETSA-N	235.092	-0.679	50	10	BBGE	
C[C@@H]1CC[C@H](O)CN1C[C@H]1CC[C@H]1C(=O)NN	2215771511	INJZRQQDZCGROP-CHWFTXMASA-N	241.335	-0.152	50	10	BBGE	
CN(CCC#N)CC1(C(=O)NN)CCOCC1	2216882275	XHZWQYXTVGNYTQ-UHFFFAOYSA-N	240.307	-0.381	50	10	BBGE	
CC1(Nc2ncccc2B(O)O)CCNCC1	2217173061	OMDCENKJANFVAO-UHFFFAOYSA-N	235.096	-0.685	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)c1nc[nH]n1	2217176690	ZJAWPYFLQWXTRZ-ZCFIWIBFSA-N	233.040	-0.947	50	10	BBGE	
CC[C@H](CNc1ncccc1B(O)O)N(C)C	2217199110	AOSPLTQCIZBJGA-SECBINFHSA-N	237.112	-0.487	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc1	2217201466	PRIVPARXQMRJBO-FKTZTGRPSA-N	233.080	-0.243	50	10	BBGE	
COCc1nccn1-c1cc(B(O)O)c(C)cn1	2223607820	AGWIIMJZEQRBLL-UHFFFAOYSA-N	247.063	-0.598	50	10	BBGE	
OB(O)c1ccc(N[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)nc1	2223643987	CRUJFMFASPDKQJ-NGTNGNHKSA-N	242.087	-0.316	50	10	BBGE	
Cc1cnc(N[C@@H]2CCN[C@H]3C[C@@H]32)cc1B(O)O	2223647008	RXVKYZWNEAUPES-IEBDPFPHSA-N	247.107	-0.768	50	10	BBGE	
CO[C@H](C)COc1cc(B(O)O)cnc1C	2242872834	HOUAOTSRHKCTJU-SSDOTTSWSA-N	225.053	-0.516	50	10	BBGE	
COC(C)(C)CSc1ncncc1B(O)O	2242968911	QMFYEAFGUVUIMY-UHFFFAOYSA-N	242.109	-0.327	50	10	BBGE	
O=C(N1CC2(COC2)C1)C1(B(O)O)CCC1	2243350033	UNGFVUXGSZWAHZ-UHFFFAOYSA-N	225.053	-0.758	50	10	BBGE	
O=C(N1CCC2(COC2)C1)C1(B(O)O)CC1	2243364010	PSGIZNVZLAKLLZ-UHFFFAOYSA-N	225.053	-0.758	50	10	BBGE	
CCC[C@H](C)NC(=O)c1n[nH]cc1B(O)O	2243373268	OMSDCXXVHIJUCE-LURJTMIESA-N	225.057	-0.992	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@H]1C2C[C@@H]3C1[C@@H]3C2	2243400117	WBKBIQADFLXPJM-BYTZZDKMSA-N	219.049	-0.885	50	10	BBGE	
C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)CO1	2243403747	CAZWCLMZFOTCEN-LURQLKTLSA-N	227.069	-0.467	50	10	BBGE	
C[C@@H]1CC[C@@H]1NC(=O)c1sccc1B(O)O	2243406677	CNURHEONQMPAPN-SVRRBLITSA-N	239.105	-0.044	50	10	BBGE	
CN(C(=O)c1coc(B(O)O)c1)C1(C)CC1	2243409422	HSTIFCBDCMJLAI-UHFFFAOYSA-N	223.037	-0.416	50	10	BBGE	
CC[C@H]1CCN1C(=O)c1nscc1B(O)O	2243409882	QKNAKAQOVYNJSA-LURJTMIESA-N	240.093	-0.553	50	10	BBGE	
O=C(NCc1cnns1)C1CC(B(O)O)C1	2243413763	MXUVFFUSJUWUKE-UHFFFAOYSA-N	241.081	-0.593	50	10	BBGE	
C=C[C@H](C)Oc1ncc(B(O)O)c(OC)n1	2244128242	UEFHGYRLALMHHX-LURJTMIESA-N	224.025	-0.882	50	10	BBGE	
O=C(Nc1csnn1)c1cocc1B(O)O	2244212896	WTEUFTVFEYNPAW-UHFFFAOYSA-N	239.021	-0.937	50	10	BBGE	
CCCn1cc(B(O)O)cc1C(=O)N1CCC1	2247752215	KWDFCEZWJTUESF-UHFFFAOYSA-N	236.080	-0.576	50	10	BBGE	
COC[C@H]1CC[C@@H]1N(C)C(=O)C1(B(O)O)CC1	2247753037	AMHYMFOYZWRQCH-BDAKNGLRSA-N	241.096	-0.123	50	10	BBGE	
CNCC(C)(C)CNC(=O)C1(B(O)O)CCC1	2247753594	BBQXGECTWVUXSG-UHFFFAOYSA-N	242.128	-0.255	50	10	BBGE	
O=C(N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F)C1(B(O)O)CC1	2247756573	NWYPPDIGYAVOHL-ZMONIFLSSA-N	245.034	-0.037	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@@H]1B(O)O	2247791025	KSUYDBZOVPICQJ-KBDSZGMXSA-N	238.096	-0.752	50	10	BBGE	
CC1(C)COCCN(C(=O)[C@H]2C[C@H]2B(O)O)C1	2247796864	DMRFONDOGKTDMN-DTWKUNHWSA-N	241.096	-0.266	50	10	BBGE	
O=C(N[C@@H]1CN[C@@H]2CCC[C@H]12)[C@@H]1C[C@H]1B(O)O	2247797365	ISZYQPWNPBUHMW-VAPHQMJDSA-N	238.096	-0.894	50	10	BBGE	
Cc1oc(B(O)O)cc1C(=O)N1CC=CCC1	2247867234	BESBIUUMYBMITJ-UHFFFAOYSA-N	235.048	-0.330	50	10	BBGE	
C=CCCN(C)C(=O)c1cc(B(O)O)cn1C	2247868135	CYYPJMQMKMKVNU-UHFFFAOYSA-N	236.080	-0.647	50	10	BBGE	
O=C(NOCCF)c1ccc(F)c(B(O)O)c1	2247870268	HHJUPDXHZSSNSH-UHFFFAOYSA-N	244.990	-0.864	50	10	BBGE	
O=C(N[C@@H]1CCCOCC1)C1CC(B(O)O)C1	2247892962	KHYTWXOGPHUKTR-UDNWOFFPSA-N	241.096	-0.075	50	10	BBGE	
O=C([C@H]1C[C@@H]1B(O)O)N1CCC(F)(CO)CC1	2247898643	GLHIOLHVUHAWCO-YUMQZZPRSA-N	245.059	-0.828	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCOC2(CCC2)C1	2247898808	HXUQBPURVGCALW-BDAKNGLRSA-N	239.080	-0.369	50	10	BBGE	
NC[C@H]1C[C@@H](F)CN1C(=O)C1CC(B(O)O)C1	2247911958	ZIXOHEILOQORNA-GEPGNKONSA-N	244.075	-0.863	50	10	BBGE	
CN(CC1COC1)C[C@@H]1CC[C@H](C(=O)NN)C1	2249023512	PEQUBGNXHLZWKA-KOLCDFICSA-N	241.335	-0.029	50	10	BBGE	
CC[C@@]1(C)C[C@H]1NC(=O)c1cocc1B(O)O	2249411840	UNWHFPHEMIOKBK-KOLCDFICSA-N	237.064	-0.122	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1cocc1B(O)O	2249423582	KJMWSOCNEJBUDN-OIBJUYFYSA-N	237.064	-0.122	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)C2(C)O	2249614397	SJRKFWXNCISBDD-SMRSKGNSSA-N	241.335	-0.152	50	10	BBGE	
O=C(NCC1C[C@@H]2C[C@H]2C1)c1cc(B(O)O)c[nH]1	2255462909	BKCZRQIUKCACRK-RKDXNWHRSA-N	248.091	-0.530	50	10	BBGE	
COc1cc(B(O)O)ccc1C(=O)N1CC=CC1	2255502491	YIWCSBAWDCWBEM-UHFFFAOYSA-N	247.059	-0.613	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]32)ccc1B(O)O	2255513730	WUFGUPMMTZRSFB-SKDRFNHKSA-N	245.087	-0.091	50	10	BBGE	
O=C(N[C@@H]1[C@H]2CCCC[C@H]21)c1n[nH]cc1B(O)O	2255552694	ONELTRFGWTUARE-QMSLJYSESA-N	249.079	-0.992	50	10	BBGE	
O=C(c1ccc(B(O)O)cn1)N1CC[C@H]1C1CC1	2255717156	XBOVDYSXYZGKNC-NSHDSACASA-N	246.075	-0.614	50	10	BBGE	
C#CC[C@H](C)NC(=O)c1ccc(F)c(B(O)O)c1	2255719321	JLEUFRMFODGPET-QMMMGPOBSA-N	249.050	-0.353	50	10	BBGE	
O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1C[C@H]1B(O)O	2255771876	XYHRQRLMPVPLFB-IWSPIJDZSA-N	249.079	-0.823	50	10	BBGE	
C[C@@H]1C(NC(=O)c2ccc(B(O)O)cc2O)[C@H]1C	2255937677	XFGFNPIDGSQUBW-BQBZGAKWSA-N	249.075	-0.544	50	10	BBGE	
CCC1(CNC(=O)c2nccnc2B(O)O)CC1	2256063211	XZJDOAPRIOGCTM-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
CCC=CCNC(=O)c1ncc(B(O)O)cc1C	2257488508	WWENDVNTXBUMAB-UHFFFAOYSA-N	248.091	-0.234	50	10	BBGE	
O=C1CC2(CCC2)N1C(=O)c1cc(B(O)O)co1	2258125737	BGOIYVOIMXYBQK-UHFFFAOYSA-N	249.031	-0.745	50	10	BBGE	
Cc1cc(NC(=O)c2cc(B(O)O)co2)n(C)n1	2258129909	ZIQHVGZFBBUDNF-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
C=CC[C@H](O)[C@H]1CCN1C(=O)[C@H]1C[C@H]1B(O)O	2299249774	PNWQTTMVRCBOTA-JLIMGVALSA-N	239.080	-0.613	50	10	BBGE	
COCC1(O)CN([C@H](C)CCCC(=O)NN)C1	2302048915	BRCHTOTUUFHDCD-SECBINFHSA-N	245.323	-0.772	50	10	BBGE	
O=C(NC[C@H]1C[C@@H](F)C1)c1ccc(B(O)O)o1	2307172728	QOVPBXAIGFPNAP-KNVOCYPGSA-N	241.027	-0.563	50	10	BBGE	
O=C([C@@H]1O[C@H]2CC[C@H]1C2)N1CC[C@@H](B(O)O)C1	2307451454	ZQODVDPVTCPEHU-QCLAVDOMSA-N	239.080	-0.371	50	10	BBGE	
CC1(Oc2ccc(B(O)O)cc2C#N)CC(N)C1	2317207284	DJFWJHQSJDKPLP-UHFFFAOYSA-N	246.075	-0.503	50	10	BBGE	
O=C1O[C@H](CBr)[C@H](O)[C@H]1O	39097199	MYRODPRKOYUJTI-FLRLBIABSA-N	211.011	-0.972	50	10	BBGE	
NNc1ncnc(NNC(=O)c2ccco2)c1N	40783856	AFENNSNYYWPKPP-UHFFFAOYSA-N	249.234	-0.306	50	10	BBGE	
Cn1nc(C(=O)NNc2ncccn2)ccc1=O	45075491	OSYOTPSDDXBBNW-UHFFFAOYSA-N	246.230	-0.673	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCN(C)CC1	58863444	QANBLFSNAVNNMD-QMMMGPOBSA-N	200.286	-0.998	50	10	BBGE	
COc1cccn(CC(=O)NNC(C)=O)c1=O	71502210	FSEURBJHIIQMAX-UHFFFAOYSA-N	239.231	-0.976	50	10	BBGE	
N[C@H](CCl)C(=O)N[C@H](CCl)C(=O)O	111456965	VFVOOLWBPFEFKL-QWWZWVQMSA-N	229.063	-0.639	50	10	BBGE	
O=C1CN([C@H]2C[C@H]3CC[C@@H]2O3)CC(=O)O1	133373245	QEEMIVPPECUFAR-CSMHCCOUSA-N	211.217	-0.308	50	10	BBGE	
COc1nc2c(cc1B(O)O)OC[C@@H]2C(C)C	201561493	OXOIYXZTVSGVGU-SSDOTTSWSA-N	237.064	-0.098	50	10	BBGE	
NNC(=O)CC1CCS(=O)(=O)CC1	214735521	XOSCZGFGHGGMNA-UHFFFAOYSA-N	206.267	-0.809	50	10	BBGE	
[N-]=[N+]=NC[C@@H]1Cc2cccc(B(O)O)c2O1	225671578	PZQQEYRDNOIDEB-ZETCQYMHSA-N	219.009	-0.020	50	10	BBGE	
COC[C@H](Oc1ccccc1C#N)C(=O)NN	232417852	PPNQDYIEQJVCSW-JTQLQIEISA-N	235.243	-0.058	50	10	BBGE	
COC1(CN2CC(=O)OC(=O)C2)CCC1	234652198	GVQCMBRXOKMCFV-UHFFFAOYSA-N	213.233	-0.059	50	10	BBGE	
O=C(OCCCl)N(CCO)CCO	238692420	PRMQRLADWJAYNC-UHFFFAOYSA-N	211.645	-0.352	50	10	BBGE	
O=S(=O)(O)SC[C@H]1CNCCN1	238715710	BLCMBAPJUYSVKN-RXMQYKEDSA-N	212.296	-0.916	50	10	BBGE	
CCC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	252857682	ILBUVSXXOQVEAH-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC[C@H](CCO)C1	300228999	LQRFIUWUKDJXOM-VHSXEESVSA-N	229.324	-0.151	50	10	BBGE	
COC[C@@H](C(=O)NN)N1CCC[C@](C)(O)CC1	300309505	NHMOXIQBZGKEGC-ONGXEEELSA-N	245.323	-0.772	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)CCCO	300827200	NXHYLUINSIDWPD-MRVPVSSYSA-N	203.286	-0.541	50	10	BBGE	
Nc1cc(OC(F)(F)F)ccc1B(O)O	308970844	PGSYAKNGGFHGCV-UHFFFAOYSA-N	220.943	-0.153	50	10	BBGE	
CNS(=O)(=O)c1cc(F)ccc1C(=O)NN	309146774	HMJLUUSDHNWJLX-UHFFFAOYSA-N	247.251	-0.663	50	10	BBGE	
COC1CN(Cc2ccc(F)cc2B(O)O)C1	310191531	AGYKXPQHSRCPGC-UHFFFAOYSA-N	239.055	-0.664	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1C[C@H](C)[C@@](C)(CN)C1	310338960	CJNSNEPDILVOAR-GMOBBJLQSA-N	242.367	-0.082	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@@H](N)C(C)(C)C1	379718204	SVIGTLCQFBTXGY-SECBINFHSA-N	242.323	-0.787	50	10	BBGE	
C[C@H](C(=O)NN)N1CCCOC(C)(C)C1	379877365	AUBAPVFJLPYERC-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
C[C@@H]1OCCN(Cc2ccc(B(O)O)cc2)[C@@H]1C	380287974	ABOIXPVQFAVOJN-MNOVXSKESA-N	249.119	-0.024	50	10	BBGE	
N#CC1=C(N)C2=C(N)CC(=N)N[C@H]2NC1=S	381225998	IKIGEJIIOFIATJ-QMMMGPOBSA-N	234.288	-0.837	50	10	BBGE	
C[C@H](C(=O)NN)N1CC(C)(C)[C@@H]2COC[C@@H]21	384772404	BQSZNHMARLHJGY-HLTSFMKQSA-N	227.308	-0.278	50	10	BBGE	
C[C@H](CN1CC(C)(C)[C@H]2COC[C@@H]21)C(=O)NN	384791975	XLICKVJCYSQNAR-UTLUCORTSA-N	241.335	-0.031	50	10	BBGE	
N[C@@H]1C[C@H]1NC(=O)c1cnn(CCCl)c1	390117664	DBGLVJXOVWRHHI-HTQZYQBOSA-N	228.683	-0.049	50	10	BBGE	
CCOC(=O)c1nc2cccc(B(O)O)c2o1	396103722	YJEWNJIJMICZDF-UHFFFAOYSA-N	235.004	-0.316	50	10	BBGE	
C[C@H](CN1CCN(CCCF)CC1)C(=O)NN	402775218	LAMKNTVMLPARBG-SNVBAGLBSA-N	246.330	-0.410	50	10	BBGE	
OB(O)c1cnc(C(Cl)(Cl)Cl)nc1	685959895	UWINADITSCHBFX-UHFFFAOYSA-N	241.270	-0.017	50	10	BBGE	
NNC(=O)C(=O)N(CC1CC1)CC(F)(F)F	688851044	IYHOGPGLMCAENU-UHFFFAOYSA-N	239.197	-0.223	50	10	BBGE	
CN(CC1C[C@H]2[C@H](C1)C2(F)F)C(=O)C(=O)NN	693397932	NPRGIAGYKDPZIT-BQBZGAKWSA-N	247.245	-0.274	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2Cc1cnns1	703421836	IHADOVCTYGUNSV-RNFRBKRXSA-N	239.256	-0.046	50	10	BBGE	
NC(=O)C1CC(NC(=O)CCCl)C1	716707366	UAWAMQLTNJPDOI-UHFFFAOYSA-N	204.657	-0.005	50	10	BBGE	
C#C[C@H](CO)Nc1nc(N)nc(CCl)n1	718216673	FBECQQZHOYPUCY-RXMQYKEDSA-N	227.655	-0.401	50	10	BBGE	
CN1CCC[C@H]2[C@@H]1CCN2CC(=O)NN	720446242	OCSIFDVPXVDIQI-IUCAKERBSA-N	212.297	-0.855	50	10	BBGE	
CC(C)(CN1C2CCC1(CO)CC2)C(=O)NN	723021382	AJNOBZFZBKIIPB-UHFFFAOYSA-N	241.335	-0.008	50	10	BBGE	
NNC(=O)CNC(=O)[C@@H]1[CH]SC=C1	725576007	LFZOYJXKLMYGDS-YFKPBYRVSA-N	200.243	-0.869	50	10	BBGE	
CCCNCC(=O)N1CCC(O)(C#N)CC1	821981428	TUFDZKFRMVAIAG-UHFFFAOYSA-N	225.292	-0.137	50	10	BBGE	
O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)NC1CC1	823767851	JQGWBFRBRGCLQL-JIGDXULJSA-N	225.248	-0.628	50	10	BBGE	
CC[C@H]1COCC1=NNC(=O)c1cn(C)nn1	853382467	BVXLVXYZKLJDAU-ZETCQYMHSA-N	237.263	-0.043	50	10	BBGE	
Cc1nnc(NNC(=O)CC2(O)CCC2)n1C	856054928	CGEMVYCZOSYGOL-UHFFFAOYSA-N	239.279	-0.128	50	10	BBGE	
COC(=O)N(C)NC(=O)C1CCN(OC)CC1	868240968	LENKTKYVHAHVIQ-UHFFFAOYSA-N	245.279	-0.011	50	10	BBGE	
Cn1cc(S(=O)(=O)NCCCl)nn1	886074191	LTSCYZVLZQPFJG-UHFFFAOYSA-N	224.673	-0.668	50	10	BBGE	
C[C@H](Oc1ccccn1)C(=O)NN(C)C(N)=O	1137623737	MXWSLJYWCKGBTN-ZETCQYMHSA-N	238.247	-0.109	50	10	BBGE	
C/C=C/[C@@H](O)C(=O)NNC(=O)c1cnsn1	1303455320	APLQARSUPVPKKW-YRFDSLTASA-N	242.260	-0.764	50	10	BBGE	
C[C@H]1COCC[C@@H]1C(=O)NN(C)C(N)=O	1320953934	RVTYFGPRHBYGGP-BQBZGAKWSA-N	215.253	-0.299	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)CC1(O)CCOCC1	1332148191	KFLMAZFIVFZHGT-VIFPVBQESA-N	246.307	-0.738	50	10	BBGE	
C#CCCCC(=O)NNC(=O)C1(C(N)=O)CC1	1456182287	XZKHNBWRLLYDKU-UHFFFAOYSA-N	237.259	-0.797	50	10	BBGE	
CC[C@@H](C(=O)NNC(=O)C(C)(C)O)C(=O)OC	1556228438	NLOAHTUVRWJNTQ-LURJTMIESA-N	246.263	-0.896	50	10	BBGE	
O=C1C[C@@H](NC(=O)OCCl)C(=O)N1	1884195646	KMIKZVIECXRQCJ-GSVOUGTGSA-N	206.585	-0.676	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@H]1CCN1C	1886783615	MRPCIKKRZBMJHB-YUMQZZPRSA-N	200.286	-0.999	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)CCO	1888572479	VXYPDHMKRMPZLF-UHFFFAOYSA-N	224.282	-0.930	50	10	BBGE	
C[C@H](COCCCN(C)C)C(=O)NN	1888720754	FVQFQGKLNNIUPK-MRVPVSSYSA-N	203.286	-0.419	50	10	BBGE	
NNC(=O)N1CC(O)(c2cccs2)C1	1890203049	HFZNDHAPSQCKGY-UHFFFAOYSA-N	213.262	-0.165	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1C[C@@H](O)[C@@H](CO)C1	1893453686	PQVZOOFRTZCBTR-OOJXKGFFSA-N	219.668	-0.575	50	10	BBGE	
CN1CC[C@H]1COCc1cc(B(O)O)cs1	1899516390	VFMAYEYPSVBVHL-VIFPVBQESA-N	241.121	-0.351	50	10	BBGE	
C#C[C@@H]1N(C(=O)[C@H]2C[C@H]2B(O)O)CC1(C)C	1899889872	VUGCGPJJJDTUNI-YIZRAAEISA-N	221.065	-0.281	50	10	BBGE	
C#C[C@H]1N(CC(=O)NNC(C)=O)CC1(C)C	1899904934	WXCOXEYYEIMUPV-SECBINFHSA-N	223.276	-0.503	50	10	BBGE	
O=Cc1ccc(NCCCF)cc1B(O)O	1901256053	YQBKAOVMWHDXGX-UHFFFAOYSA-N	225.028	-0.050	50	10	BBGE	
Cc1ccc(OC[C@@H]2CCO2)c(B(O)O)c1	1901307476	RGPOHCJMDHNAGR-VIFPVBQESA-N	222.049	-0.157	50	10	BBGE	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)cc(B(O)O)c1	1907455090	CRMOWTBCFQVZNC-ZJUUUORDSA-N	237.039	-0.029	50	10	BBGE	
CCOC12CC(C1)N(C[C@@H]1C[C@H]1C(=O)NN)C2	1908788102	OWQYOZHECGXNHE-GWFPEYJASA-N	239.319	-0.134	50	10	BBGE	
C[C@@H]1[C@@H](Cl)CCN1C(=O)Cn1cnnn1	1914467910	NLDVKMSVWZCHRC-RQJHMYQMSA-N	229.671	-0.099	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(CCCO)CCCO	1922186413	RLYFHHPJIBTUHV-VHSXEESVSA-N	247.339	-0.932	50	10	BBGE	
CO[C@@H](C)C(=O)NNC(=O)C(F)(F)F	1923414258	ZIDMIRCHWYWMEH-VKHMYHEASA-N	214.143	-0.269	50	10	BBGE	
NCCNCCSCCCC(=O)NN	1923473620	AJFUHHYKLISYEQ-UHFFFAOYSA-N	220.342	-0.962	50	10	BBGE	
C[C@H]1CC[C@@H](C)N1CCOCC(=O)NN	1928180530	BWIHTQUHLFKTSW-DTORHVGOSA-N	215.297	-0.134	50	10	BBGE	
OC[C@H](O)[C@@H]1COCCN1CC=CCCl	1928573346	IMMXSMDENBTPPZ-UWVGGRQHSA-N	235.711	-0.165	50	10	BBGE	
C[C@]12CCC[C@H]1C(=O)N2CCC(=O)NN	1929001543	MJSDNTXTOGCBOO-XVKPBYJWSA-N	211.265	-0.233	50	10	BBGE	
C[C@H]1[C@H](CN(C)C(=O)C(=O)NN)C1(F)F	1933032929	RQSUICNGBDUQIC-WHFBIAKZSA-N	221.207	-0.664	50	10	BBGE	
OC[C@@H]1COCCN(C[C@H](O)CCl)C1	1933629373	DJVOJCAJWHHYHM-RKDXNWHRSA-N	223.700	-0.473	50	10	BBGE	
NNC(=O)CCCN1C[C@H](CO)C2(CC2)C1	1935771372	LXLXOBUVFVURKZ-SECBINFHSA-N	227.308	-0.539	50	10	BBGE	
C[C@H](O)CN(C[C@@H]1C[C@@H]1C(=O)NN)C1CC1	1936082666	FSOQGJFGCPLAOC-NRPADANISA-N	227.308	-0.542	50	10	BBGE	
CC1(C)CN(C[C@@H]2C[C@@H]2C(=O)NN)C(=O)O1	1936095671	ZRJFCICOBFWDDG-BQBZGAKWSA-N	227.264	-0.157	50	10	BBGE	
C[C@@H](CN1CC[C@@H]2C[C@@H](O)CC[C@@H]21)C(=O)NN	1940523137	FPMJZXWQJXQXHG-VLEAKVRGSA-N	241.335	-0.152	50	10	BBGE	
C[C@@H]1CN(C[C@@H]2C[C@@H]2C(=O)NN)C[C@@]1(C)CO	1941088558	GJDRVMQLBMRKTM-WDCWCFNPSA-N	241.335	-0.437	50	10	BBGE	
CC[C@@H]1CCN1CCn1cc(C(=O)NN)nn1	1941277795	JSFGXIFJISPJLZ-MRVPVSSYSA-N	238.295	-0.634	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)Cc1nnc(C)n1C	1943111396	LBQNMOSHXSAEPF-MRVPVSSYSA-N	240.311	-0.676	50	10	BBGE	
COCC[C@@H]1CN([C@H](C)CC(=O)NN)CCO1	1943667230	BUAIGHWLCVTUJL-NXEZZACHSA-N	245.323	-0.508	50	10	BBGE	
C[C@H]1C[C@]1(CN)C(=O)N1CCC(O)(C#N)CC1	1951149858	UDAXQIKMBLMNOD-JOYOIKCWSA-N	237.303	-0.152	50	10	BBGE	
N#C[C@]1(O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1	1954523297	CQIIHCHONOSLPN-JIGDXULJSA-N	201.247	-0.304	50	10	BBGE	
CCCS(=O)(=O)C[C@@H](C)NC(=O)NN	1956778174	NEIIAVPUNBMILU-ZCFIWIBFSA-N	223.298	-0.627	50	10	BBGE	
CC[C@H](O)CN(C)[C@@H](C)[C@@H](C)C(=O)NN	1959516436	GNWZPUGMQCAPRQ-VGMNWLOBSA-N	217.313	-0.296	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCOCC2(CC2)C1	1961434756	SJRNGYLYEQQSIW-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
CCCN(C(=O)NN)[C@H]1CCCNC1=O	1961465677	FRDHCWLNTQIEJG-ZETCQYMHSA-N	214.269	-0.440	50	10	BBGE	
CN(c1ncccc1B(O)O)C1CCC1	1961695167	ZNZDHDVOCMLNFG-UHFFFAOYSA-N	206.054	-0.250	50	10	BBGE	
O=C(CCl)NC(=O)NC[C@@H]1[C@@H]2COC[C@@H]21	1962295227	DTMYSWZTYKNTEN-KVSKUHBBSA-N	232.667	-0.057	50	10	BBGE	
Cc1cn(C)nc1C(=O)N1CC[C@@H](B(O)O)C1	1972411321	CJIILYQRTCSCTL-MRVPVSSYSA-N	237.068	-0.583	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1CCCOC12CCC2	1976012239	FSACAEXGOICIBL-ZETCQYMHSA-N	227.264	-0.806	50	10	BBGE	
CN(C[C@@H]1C(F)(F)C12CC2)C(=O)C(=O)NN	1979192041	VGWYOIHVUHKEJG-YFKPBYRVSA-N	233.218	-0.520	50	10	BBGE	
C[C@H]1OCC[C@@H]1Sc1ncncc1B(O)O	1981454202	FRCBVOLXUDRINB-SVRRBLITSA-N	240.093	-0.574	50	10	BBGE	
CC[C@H](C(=O)NN)N1[C@H]2CC[C@@H](C2)[C@H]1CO	1984193526	UWROUZYIIUNSHO-AXTSPUMRSA-N	227.308	-0.400	50	10	BBGE	
CCn1nccc1C(=O)NCC=CB(O)O	1991328583	FWVAQTBCFRJBNN-UHFFFAOYSA-N	223.041	-0.799	50	10	BBGE	
C[C@H](C(=O)NCC=CB(O)O)[C@@H]1CCCO1	1991329703	JLHZDLFKXZWXTJ-IUCAKERBSA-N	227.069	-0.514	50	10	BBGE	
NC(=O)CC[C@@H](NC(=O)[C@H]1C[C@@H]1Cl)C(=O)O	1991682236	ICKXIZLWGCCEMF-HCWXCVPCSA-N	248.666	-0.551	50	10	BBGE	
CC[C@H]1CC[C@H](C(=O)NCC=CB(O)O)O1	1993507921	UMTKCWYWAWSAEH-DTWKUNHWSA-N	227.069	-0.372	50	10	BBGE	
CC1(C#N)CN(Cc2nc(C(=O)NN)co2)C1	1995658698	MGPJZDOHPIAQHH-UHFFFAOYSA-N	235.247	-0.376	50	10	BBGE	
CC12CCC(CC1)N2c1ncncc1B(O)O	2004917164	VKARIWXLYVNHDX-UHFFFAOYSA-N	233.080	-0.322	50	10	BBGE	
CO[C@H](COc1ncncc1B(O)O)C(C)C	2004928021	AEAIZBMLOMPNHL-SECBINFHSA-N	240.068	-0.794	50	10	BBGE	
Cc1cc(B(O)O)cnc1OC[C@@H]1CCCO1	2004928951	HETPAPULLMEKCY-JTQLQIEISA-N	237.064	-0.372	50	10	BBGE	
Cc1cnc(N2CC[C@@H]2C(F)F)c(B(O)O)c1	2005015465	ATPYCGKXPJNXMP-MRVPVSSYSA-N	242.034	-0.086	50	10	BBGE	
CCN(c1ncc(B(O)O)cc1C)C1COC1	2005018499	UYRUMBOJTAWNGF-UHFFFAOYSA-N	236.080	-0.705	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C[C@@H]1OCC[C@@H]1F	2009200991	DNDOZOMNLUIZSU-YIZRAAEISA-N	249.286	-0.950	50	10	BBGE	
C[C@H](CN(C)C[C@@H]1C[C@H]2C[C@@H]2CO1)C(=O)NN	2009369252	VBQOQACVXVFBIF-DBIOUOCHSA-N	241.335	-0.031	50	10	BBGE	
Cc1ccc(B(O)O)c(N(C)C[C@H]2C[C@H]2F)n1	2014736581	YFDBDZCOYZCGKA-PSASIEDQSA-N	238.071	-0.136	50	10	BBGE	
C[C@@H](CCC(=O)NN)N(C)[C@H]1CC(=O)N(C)C1	2014825811	SUKGZHIZELZNGR-IUCAKERBSA-N	242.323	-0.693	50	10	BBGE	
CC[C@@H](C(=O)NN)N1C[C@H](C)NC(=O)C12CC2	2014890560	YNFNJILFLZLZCV-YUMQZZPRSA-N	240.307	-0.892	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@]12COC[C@@H]1C2	2019208324	GFGZXDGDXZQWFZ-GXSJLCMTSA-N	241.291	-0.878	50	10	BBGE	
CO[C@@H]1CCC[C@@H](C(=O)NCC#CB(O)O)C1	2021114314	LZOSRTJDQOWJJP-NXEZZACHSA-N	239.080	-0.677	50	10	BBGE	
O=C(NCC#CB(O)O)N1C[C@@H]2CCC[C@H]2C1	2021120125	VZKKRUQWSXZOSX-UWVGGRQHSA-N	236.080	-0.557	50	10	BBGE	
OB(O)c1ccn(C[C@H]2C[C@@]23CCCOC3)n1	2021314749	WOBIWPCOSYYLAX-MWLCHTKSSA-N	236.080	-0.620	50	10	BBGE	
NNC(=O)c1ccc(CN2CCOCCO2)o1	2021412484	LDGIIUMVIYQNOV-UHFFFAOYSA-N	241.247	-0.353	50	10	BBGE	
Cc1c(C#N)ccc(=O)n1C[C@H]1C[C@H]1C(=O)NN	2028050445	IBCCCVLVKYPIHT-NXEZZACHSA-N	246.270	-0.346	50	10	BBGE	
Cc1ocnc1C(=O)Nc1ccc(B(O)O)cc1	2042248931	HLNZTNNCKGKBLC-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
OB(O)c1ncnc2c1ncn2[C@H]1CCCCO1	2055735890	JMSFAPWRSRAXOX-SSDOTTSWSA-N	248.051	-0.795	50	10	BBGE	
CCOc1cc(OC)c(B(O)O)cc1OC	2060039471	FTLAMUBSWWDOGP-UHFFFAOYSA-N	226.037	-0.218	50	10	BBGE	
CCOc1ccc(C#N)c(C=O)c1B(O)O	2060176594	KWFGDBRAVOQICD-UHFFFAOYSA-N	219.005	-0.551	50	10	BBGE	
OB(O)c1cccc(COCCn2ccnc2)c1	2064608922	AEDADJHMCPFROP-UHFFFAOYSA-N	246.075	-0.220	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@]2(C)C[C@@H]12	2065690873	BYIFODVTUINHKC-MKPLZMMCSA-N	247.107	-0.219	50	10	BBGE	
CN(c1ncncc1B(O)O)[C@@H]1CC[C@H]2C[C@@H]1C2	2069296744	XEBFVQPLTCZLPT-WCABBAIRSA-N	247.107	-0.219	50	10	BBGE	
C[C@H]1C(CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1C	2079008387	IWOLVVBRLWFIPE-RKDXNWHRSA-N	247.103	-0.002	50	10	BBGE	
C[C@@]12C[C@H]1CN(C(=O)c1ccccc1B(O)O)C2	2079010367	ZEJQCAWKTJOTDI-ZANVPECISA-N	245.087	-0.152	50	10	BBGE	
COc1cccc(F)c1NC(=O)C(=O)NN	2211236427	UEBAFMIPORQYJQ-UHFFFAOYSA-N	227.195	-0.237	50	10	BBGE	
CNCCCSc1cc(B(O)O)c(C)cn1	2212601317	MOCAUUMPMROKRZ-UHFFFAOYSA-N	240.137	-0.229	50	10	BBGE	
OB(O)c1cccnc1NC[C@H]1C[C@H](F)C1	2212602702	IKGJPYQIKDKPAR-ZKCHVHJHSA-N	224.044	-0.079	50	10	BBGE	
OB(O)c1ccnc(N2CCC(F)(F)C2)c1	2212611233	XKEDHQYWNHLSSI-UHFFFAOYSA-N	228.007	-0.393	50	10	BBGE	
CO[C@@H](C)CCNc1ncccc1B(O)O	2212615137	KEXNOJNRCYJWEU-QMMMGPOBSA-N	224.069	-0.402	50	10	BBGE	
NNC(=O)CCCCN1CC[C@@H]2[C@@H](O)C[C@H]2C1	2213035580	YROGVYNMEOKEMQ-DCAQKATOSA-N	241.335	-0.151	50	10	BBGE	
C[C@@H]1C[C@H](O)[C@@H](C)N(CCOCC(=O)NN)C1	2214802582	RFSUPRCAEBLXRG-BBBLOLIVSA-N	245.323	-0.916	50	10	BBGE	
CN(C[C@@H]1CC[C@H]1C(=O)NN)C1(CO)CCC1	2215773613	BTVBTLJNPFRPBI-VHSXEESVSA-N	241.335	-0.151	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C(CO)[C@@H]3C2)CCC1	2216530212	MPUYEKWSWIQFFZ-RKDXNWHRSA-N	239.319	-0.683	50	10	BBGE	
CC(C)C[C@H](N)CNc1ccc(B(O)O)cn1	2217182200	AFCZLSNHRDNJAO-JTQLQIEISA-N	237.112	-0.453	50	10	BBGE	
Cc1cnc(N[C@@]2(C)CCOC2)cc1B(O)O	2217185052	XUOAAFQTHWPCTC-NSHDSACASA-N	236.080	-0.339	50	10	BBGE	
CO[C@@H]1C=C[C@@H](Nc2cc(B(O)O)ccn2)C1	2217197710	PXYVDNKGVKCWPO-NXEZZACHSA-N	234.064	-0.483	50	10	BBGE	
OB(O)c1cccnc1NC[C@@H]1[C@@H]2CCO[C@@H]21	2217198742	FRNZQJAFQBDUJW-XKSSXDPKSA-N	234.064	-0.792	50	10	BBGE	
C[C@H]1CCCN(c2cc(B(O)O)ccn2)[C@@H]1CN	2223635349	WBPQNPAMKJUPIL-GXSJLCMTSA-N	249.123	-0.675	50	10	BBGE	
C[C@H]1CNCC[C@@H]1N(C)c1ncccc1B(O)O	2223635886	COIFAAVGYJAKQD-ONGXEEELSA-N	249.123	-0.804	50	10	BBGE	
Nc1cccc(CNc2ncccc2B(O)O)c1	2223669663	MOMVDHQTUUZOMH-UHFFFAOYSA-N	243.075	-0.044	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@H](C)CF	2241728004	AJMOOHWPHKWLCI-ZCFIWIBFSA-N	205.233	-0.557	50	10	BBGE	
NNC(=O)N[C@@]12CC[C@@](CF)(C1)OC2	2242289338	IZIMSXFFQDSTHM-YUMQZZPRSA-N	203.217	-0.180	50	10	BBGE	
CC1CC([C@@H](C)N(C)C(=O)C#CB(O)O)C1	2243356879	ODBVJTQCRZGXAJ-HWOCKDDLSA-N	223.081	-0.105	50	10	BBGE	
O=C(Nc1ncc[nH]1)c1sccc1B(O)O	2243356998	PVOMSDMOLFKTME-UHFFFAOYSA-N	237.049	-0.597	50	10	BBGE	
CC[C@H](COC(F)F)NC(=O)C#CB(O)O	2243361557	CUINBDPXINIMEW-ZCFIWIBFSA-N	234.995	-0.864	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCC[C@@H](O)C1	2243395964	FLIMCFYZUFEMJF-AMDVSUOASA-N	227.069	-0.777	50	10	BBGE	
CC(=O)NC(=O)c1ccc(Cl)cc1B(O)O	2243398092	MJERBUNEFRADBQ-UHFFFAOYSA-N	241.439	-0.704	50	10	BBGE	
O=C(C#CB(O)O)N[C@H]1C[C@H]1C1CCCC1	2243399880	RVJFGLBHOPNGNB-UWVGGRQHSA-N	221.065	-0.303	50	10	BBGE	
O=C(N1CC[C@@]2(CCO2)C1)C1(B(O)O)CC1	2243409194	CSTUZUABAULAAF-SECBINFHSA-N	225.053	-0.615	50	10	BBGE	
CC1(C)OCC[C@H]1NC(=O)C1(B(O)O)CC1	2243409716	NMGIEXDNGYZIHL-SSDOTTSWSA-N	227.069	-0.323	50	10	BBGE	
COC[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C1CC1	2243427300	SULJLYRBEQYZEU-YIZRAAEISA-N	227.069	-0.610	50	10	BBGE	
Cc1coc(C(=O)NCCC#CB(O)O)c1	2244547891	HERVEZCRWUFSLQ-UHFFFAOYSA-N	221.021	-0.277	50	10	BBGE	
CP(C)(=O)CCC(=O)NCCC#CB(O)O	2244554651	DFEWRTXHYKQCGL-UHFFFAOYSA-N	245.024	-0.479	50	10	BBGE	
CCC[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)o1	2247740510	LUZPBMRRNNBLOD-JGVFFNPUSA-N	237.064	-0.122	50	10	BBGE	
CCCNC(=O)c1c(F)cc(B(O)O)cc1F	2247752680	UJAASECUPJHKFF-UHFFFAOYSA-N	243.018	-0.216	50	10	BBGE	
C=CCN(CCC)C(=O)c1n[nH]cc1B(O)O	2247780887	GPCCUBJAPPIBPT-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1C[C@H]1B(O)O	2247791024	KSUYDBZOVPICQJ-JDDHQFAOSA-N	238.096	-0.752	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H](B(O)O)C2)[C@@H](C)CN1	2247808164	SUKGTXFQRJDZKR-XKNYDFJKSA-N	240.112	-0.552	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N[C@H](C)CF	2247855506	TYRAWSOZJPUBKF-MRVPVSSYSA-N	239.055	-0.237	50	10	BBGE	
CN(C[C@@H]1C[C@@H]1F)C(=O)c1occc1B(O)O	2247879123	QYDSCGAXXRRKMM-XPUUQOCRSA-N	241.027	-0.611	50	10	BBGE	
CC(C)(C)[C@H](CO)NC(=O)[C@H]1C[C@H](B(O)O)C1	2247887035	JJXYCYNGBZNGAA-CIUDSAMLSA-N	243.112	-0.237	50	10	BBGE	
CCCCN(O)C(=O)c1cc(C)c(B(O)O)o1	2247890328	KNEQXNSASDZEQX-UHFFFAOYSA-N	241.052	-0.101	50	10	BBGE	
CN(C)C1(C)CN(C(=O)C2CC(B(O)O)C2)C1	2247892425	AOQUZNVRJFSJMG-UHFFFAOYSA-N	240.112	-0.598	50	10	BBGE	
O=C(NC[C@@H]1CCC[C@@H]1CO)[C@H]1C[C@@H]1B(O)O	2247897689	WCSCOIWGWRFSEF-JXUBOQSCSA-N	241.096	-0.626	50	10	BBGE	
CCCC1(O)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)C1	2247898361	CUNZXOBKVMLLGZ-DTORHVGOSA-N	241.096	-0.387	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(CC(=O)O)CC1	2248575704	HJWMTYVDBWKKMM-RNFRBKRXSA-N	241.052	-0.685	50	10	BBGE	
CC1CC(CNC(=O)c2cc(B(O)O)co2)C1	2249440918	RLNCZTGKDIEQCM-UHFFFAOYSA-N	237.064	-0.265	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2(C)O	2249593499	XEAZXBAVXUNRBY-GFGCTHQUSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](Nc1cc(B(O)O)ccn1)[C@H]1CCCN1	2249874750	SBKGZNGQDLYCQB-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
O=C(N[C@@H]1CCC2CC1C2)c1ccc(B(O)O)o1	2255462499	WFSDSSAWXCCTNR-AMDVSUOASA-N	249.075	-0.122	50	10	BBGE	
Cc1cccc2c1CN(C(=O)C#CB(O)O)CC2	2255470071	XYBGLZWHDJIZQI-UHFFFAOYSA-N	243.071	-0.105	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1occc1B(O)O	2255491863	COQYVUAZNLLTRU-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
C[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1ncccc1B(O)O	2255518084	ZLEXNZMKZBGBSM-IWSPIJDZSA-N	248.091	-0.464	50	10	BBGE	
CC1=C(C)CN(C(=O)c2n[nH]cc2B(O)O)CC1	2255547395	FANJDTKUEHUMSX-UHFFFAOYSA-N	249.079	-0.728	50	10	BBGE	
C[C@]12CC[C@H](NC(=O)c3n[nH]cc3B(O)O)[C@H]1C2	2255548560	BLITWSRUMFHQCU-CDOJRTKCSA-N	249.079	-0.992	50	10	BBGE	
Cc1[nH]nc(NC(=O)c2cc(B(O)O)c[nH]2)c1C	2255671697	VPQWTQAWPKVEND-UHFFFAOYSA-N	248.051	-0.713	50	10	BBGE	
Cc1cc(NC(=O)c2ccoc2B(O)O)n(C)n1	2255722377	NUCSXQWOWCEMIT-UHFFFAOYSA-N	249.035	-0.746	50	10	BBGE	
Cc1ccc(C(=O)N2CCCC2=O)cc1B(O)O	2255730377	LIBYEVBTLZAXSR-UHFFFAOYSA-N	247.059	-0.563	50	10	BBGE	
C=CC[C@H](C)NC(=O)c1cc(B(O)O)ccc1O	2256018071	WLROXIKAVPEMRD-QMMMGPOBSA-N	249.075	-0.234	50	10	BBGE	
NC[C@@]12C[C@H]1CN(Cc1cccc(B(O)O)c1)C2	2259938041	GNHRMQWAGCHIDE-WCQYABFASA-N	246.119	-0.853	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2C[C@H]1[C@@H]2CO	2298165667	QYSFJYWAYSROGK-DAWVFNFOSA-N	239.319	-0.685	50	10	BBGE	
N[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1B(O)O	2298370075	NOPPGYYADXRSKM-QCLAVDOMSA-N	240.112	-0.517	50	10	BBGE	
O=C(NC[C@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1B(O)O	2298371074	YQSVKWWNHCLFHF-KYXWUPHJSA-N	241.096	-0.483	50	10	BBGE	
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371355	JJPLDXGLOGZLGF-ZYUZMQFOSA-N	240.112	-0.552	50	10	BBGE	
C[C@]12C[C@](NC(=O)[C@H]3C[C@H](B(O)O)C3)(CO1)C2	2298377291	LRQSCXCDVJIETN-PLFHLEMCSA-N	239.080	-0.323	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1CCOC[C@@H](F)C1	2299875944	QIJNFMILGDPWBK-HACHORDNSA-N	245.059	-0.564	50	10	BBGE	
C[C@H](CCCC(=O)NN)N1C[C@H](O)C2(CC2)C1	2302059003	HTHIKNNBWGGLLH-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
CCN(CC)C[C@H](O)CN1CC[C@H](B(O)O)C1	2303099826	SEZNWFSKPPPSED-QWRGUYRKSA-N	244.144	-0.762	50	10	BBGE	
OB(O)c1cc(N2CCC[C@H](F)C2)ncc1F	2303847453	JKXYQCCQGMOSNK-ZETCQYMHSA-N	242.034	-0.161	50	10	BBGE	
OB(O)c1cc(N2CC[C@@H]3CC[C@@H]32)ncc1F	2303848466	ABSHSWSAHMOHFH-XVKPBYJWSA-N	236.055	-0.111	50	10	BBGE	
NC[C@H]1C[C@H](Oc2cc(B(O)O)c(F)cn2)C1	2303852809	OZNDNOOXIGHONC-LJGSYFOKSA-N	240.043	-0.983	50	10	BBGE	
O=C(c1c[nH]nc1B(O)O)N1[C@@H]2C=CC[C@H]1CC2	2312852441	SCMAALXBUXEYLA-SFYZADRCSA-N	247.063	-0.977	50	10	BBGE	
OB(O)c1ccnc(OCc2ccncc2)c1F	2317875467	ZSZJFEPEQQGLRH-UHFFFAOYSA-N	248.022	-0.126	50	10	BBGE	
CC(C)NC(=O)C(C#N)=CNC[C@@H](C)O	2324514757	LRPOGSVOTDGAGQ-MRVPVSSYSA-N	211.265	-0.111	50	10	BBGE	
N#CCCNC=C(C#N)C(=O)NCC(=O)O	2324960325	HZIIFBULLWGEBY-UHFFFAOYSA-N	222.204	-0.902	50	10	BBGE	
N/C(=N/NC=O)S[C@H]1C=CS(=O)(=O)C1	5613057	IMZSMYZVYUHWAB-YFKPBYRVSA-N	235.290	-0.994	50	10	BBGE	
C[C@@H](O)CN(C)CCCCCC(=O)NN	70596863	LRKFGFVAPXCUPV-SECBINFHSA-N	217.313	-0.151	50	10	BBGE	
COCCN(CCC(=O)NN)CC(C)C	82469572	OZSRSULJEMYXKQ-UHFFFAOYSA-N	217.313	-0.029	50	10	BBGE	
CC(C)N(CCCO)C[C@H](C)C(=O)NN	82470880	ARFHGLSFDMTPJD-VIFPVBQESA-N	217.313	-0.295	50	10	BBGE	
CC[C@H](Sc1ncn[nH]1)C(=O)NN	82471847	ZZXPZEBCXHHZFY-BYPYZUCNSA-N	201.255	-0.335	50	10	BBGE	
C[C@H](C(=O)NN)[C@@H](C)N(C)CC1CC(O)C1	86313733	WNKRHRBKEYWQHW-AFWXGSBKSA-N	229.324	-0.296	50	10	BBGE	
NNC(=O)c1occc1CSC[C@H](O)CO	86661915	XZVHCYHROWPQGQ-SSDOTTSWSA-N	246.288	-0.531	50	10	BBGE	
NNC(=O)CN1CCC(N2CCCCC2)CC1	110581255	WBTKWWZHFZNQIF-UHFFFAOYSA-N	240.351	-0.073	50	10	BBGE	
Cn1cnnc1SCc1ccc(B(O)O)cc1	198992228	BGTWGDASLMNIIP-UHFFFAOYSA-N	249.104	-0.213	50	10	BBGE	
COc1ccc(B(O)O)c(Cn2nccc2C)c1	203580954	ZHBUUBOFJWIYDT-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CC(=O)Nc1ccc(B(O)O)cc1NC(C)=O	204761488	DAAFRKFCCRNJOZ-UHFFFAOYSA-N	236.036	-0.717	50	10	BBGE	
COC(=O)N[C@H]1CCN(C[C@@H](C)C(=O)NN)C1	228340356	SSTSQCKXAINDTL-SFYZADRCSA-N	244.295	-0.957	50	10	BBGE	
CCOCOc1cc(B(O)O)ccc1F	229338588	WNVPSUGGWQIGQG-UHFFFAOYSA-N	214.001	-0.122	50	10	BBGE	
COC[C@H](C(=O)NN)N1CCCC[C@@H]1C	232418884	WELVUAHYZYCNLR-DTWKUNHWSA-N	215.297	-0.134	50	10	BBGE	
C[C@H]1OCC[C@@H]1CN1CC(=O)OC(=O)C1	235621639	LDTLCQORBAUPJY-HTQZYQBOSA-N	213.233	-0.203	50	10	BBGE	
C/C=C(\C)C(=O)NNC(=O)[C@@H]1COCCO1	267660757	KCVWHGCGBJVAOH-DKCNVOGISA-N	228.248	-0.485	50	10	BBGE	
NNC(=O)c1cccnc1CSCC(N)=O	300762658	BANQOSGUWGXQNG-UHFFFAOYSA-N	240.288	-0.596	50	10	BBGE	
NNC(=O)c1cccnc1CN1C(=O)CCC1=O	302272578	DERZSPFHPMKPEL-UHFFFAOYSA-N	248.242	-0.666	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@](C)(CO)C1	307142964	FYDMNVVEVWRIKF-CBAPKCEASA-N	201.270	-0.931	50	10	BBGE	
Cc1ccc(B(O)O)nc1Br	307466798	OIJLSQNLHQCYLA-UHFFFAOYSA-N	215.843	-0.168	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CN2CCC1CC2	309296864	XGIKPPVUZGWXKS-SCZZXKLOSA-N	226.324	-0.609	50	10	BBGE	
CCOC1CN(Cc2ccc(C)c(B(O)O)c2)C1	313732717	CWNYLAIGAJLKDT-UHFFFAOYSA-N	249.119	-0.104	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCN2CC[C@H]1C2	381759486	GUVDMLRHKDSGCY-UWVGGRQHSA-N	226.324	-0.609	50	10	BBGE	
CCOC(=O)/C=C(\C)NN(C)C(N)=O	386600918	USLFLVXBPWAHPT-AATRIKPKSA-N	201.226	-0.032	50	10	BBGE	
N#Cc1ccc(=O)n(CCCCC(=O)NN)c1	393832968	LCSQJNPNOJCVKI-UHFFFAOYSA-N	234.259	-0.120	50	10	BBGE	
CNCCN(C)CCC(C)(C)C(=O)NN	395585124	BXTVGYFSKALPSK-UHFFFAOYSA-N	216.329	-0.456	50	10	BBGE	
CC(=O)[C@H](Cl)c1cccc(B(O)O)c1O	396025637	UMIJXDXJMXMLKI-QMMMGPOBSA-N	228.440	-0.059	50	10	BBGE	
N#CCCc1ccc(B(O)O)cc1[N+](=O)[O-]	396050065	JXHOUQPGWZHSDM-UHFFFAOYSA-N	219.993	-0.269	50	10	BBGE	
Nc1sc2c(C(=O)O)cccc2c1B(O)O	396247366	SUWNFXZZUQYSCO-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Cc1cc(C(=O)Nc2cccc(B(O)O)c2)on1	404986255	VQNCGMNQMDFRAJ-UHFFFAOYSA-N	246.031	-0.085	50	10	BBGE	
C=CCNC(=O)NCc1ccc(B(O)O)cc1	405162408	HOPHAANQERNLDH-UHFFFAOYSA-N	234.064	-0.648	50	10	BBGE	
COC[C@@H](C)CN1CC[C@H](B(O)O)C1	585076128	LCDHFSYKIILWHH-IUCAKERBSA-N	201.075	-0.182	50	10	BBGE	
CCN(CC)C(=O)NC(=O)N[N+](=O)[O-]	687758665	LPGGQWZCESEPEY-UHFFFAOYSA-N	204.186	-0.061	50	10	BBGE	
C[C@@H]1N(CCC(=O)NN)CCOC1(C)C	687846923	RFOONAVZVOMRLV-QMMMGPOBSA-N	215.297	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H]3C2)O1	688272278	MCJQVYDPKKKGMA-DBIOUOCHSA-N	239.319	-0.134	50	10	BBGE	
C[C@H](CC(=O)NN)N(C)C[C@@H](O)C1CC1	690156137	RENOSMQGCWCNMX-VXNVDRBHSA-N	215.297	-0.542	50	10	BBGE	
C[C@@H](CN1CCCC[C@H](CO)C1)C(=O)NN	696781136	UTIWQFGKWYZEMT-UWVGGRQHSA-N	229.324	-0.293	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)C[C@](C)(C(F)F)O1	698921547	ZMGTYSLHAIJTRM-IMTBSYHQSA-N	237.250	-0.279	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1CCCCC1(F)F	702027958	BAAYSJPDSBROJU-LURJTMIESA-N	221.012	-0.060	50	10	BBGE	
C[C@H](CN1C[C@@H]2CSC[C@H]2C1)C(=O)NN	711525186	JYBSQZODLBFCMP-IWSPIJDZSA-N	229.349	-0.093	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3CNCC[C@H]32)CC1	721017849	VSTVSQQRWJUGPF-OUAUKWLOSA-N	249.314	-0.281	50	10	BBGE	
Cn1cc(C(=O)NNC(=O)CC2CCC2)nn1	855188603	NYXXICBHLSQXGV-UHFFFAOYSA-N	237.263	-0.234	50	10	BBGE	
CC/C=C(/F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1	869384784	FXTQGCYISZYPAT-ZAXDUSRUSA-N	243.238	-0.324	50	10	BBGE	
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NNC(=O)NC	906393466	BJJYNZWDPNRKLZ-LYFYHCNISA-N	215.253	-0.382	50	10	BBGE	
CNC(=O)NNC(=O)c1cncc2ncn(C)c12	1292011645	VXABUIFPIMSTAR-UHFFFAOYSA-N	248.246	-0.458	50	10	BBGE	
CN(NC(=O)CSC1CC1)C(N)=O	1295200386	FEEMVVJUVFKWAD-UHFFFAOYSA-N	203.267	-0.076	50	10	BBGE	
O=C(NNC(=O)[C@H]1CCCO1)NOCC1CC1	1312761956	OZRBXXSWMFOCGN-MRVPVSSYSA-N	243.263	-0.163	50	10	BBGE	
C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	1332147812	IHOLEYWDAGYEQH-DJLDLDEBSA-N	238.291	-0.143	50	10	BBGE	
CCO/C=C(\C#N)C(=O)N[C@H]1CCNC1=O	1334587578	FKTHCLOULZHIEM-CZEYKFRCSA-N	223.232	-0.565	50	10	BBGE	
CN(C)C(=O)NNC(=O)c1ccc[n+]([O-])c1	1542415286	VKHNMNNABDRQCW-UHFFFAOYSA-N	224.220	-0.764	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)C2(O)COC2)n1	1587947291	LLYIPPCSPHCBOB-UHFFFAOYSA-N	238.247	-0.702	50	10	BBGE	
Cc1ncc(C(=O)NN(C)C[C@@H](C)O)c(N)n1	1625937359	FJFYBWMGLXYXCC-ZCFIWIBFSA-N	239.279	-0.675	50	10	BBGE	
COCCN(C)NC(=O)[C@H]1CCN(C)C1=O	1627337548	VTACPKKOVBADSB-MRVPVSSYSA-N	229.280	-0.926	50	10	BBGE	
CC(C)(O)C(=O)NNC(=O)[C@H](O)C(C)(C)C	1638762567	YYKOATCNMILKEG-LURJTMIESA-N	232.280	-0.688	50	10	BBGE	
Cc1nnc(NNC(=O)c2cc[nH]n2)nc1O	1650669842	GEZGOLRGGOBEEN-UHFFFAOYSA-N	235.207	-0.634	50	10	BBGE	
O=C(CCCl)NC1(CO)CC(O)C1	1883296987	ARHRCRIRMXLTGK-UHFFFAOYSA-N	207.657	-0.383	50	10	BBGE	
NNC(=O)CN1CCSCC(F)(F)C1	1890171431	RGYLSQHGQVDHDR-UHFFFAOYSA-N	225.264	-0.340	50	10	BBGE	
C=C(COC[C@@H]1CSCCO1)B(O)O	1891583706	ACUVREPTJIKAAH-MRVPVSSYSA-N	218.083	-0.297	50	10	BBGE	
C[C@H](CC(=O)NN)N1C(=O)CC(C)(C)C1=O	1894126146	RZHQCHOVTSGAIO-ZCFIWIBFSA-N	227.264	-0.460	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2C[C@]2(COC)C1	1894670010	RGZBJJDBDBVRMI-IQJOONFLSA-N	227.308	-0.277	50	10	BBGE	
CC[C@@H]1C[C@H]1Cn1cc(B(O)O)ccc1=O	1895676847	JUALZVCDNPVIBQ-BDAKNGLRSA-N	221.065	-0.426	50	10	BBGE	
N#CC1=CCN(S(=O)(=O)[C@@H]2CC[C@H]2N)CC1	1900758055	RMMKKZNDFKSDTN-NXEZZACHSA-N	241.316	-0.038	50	10	BBGE	
C[C@H]1C[C@H]1Nc1ccc(C=O)c(B(O)O)c1	1901254995	IKCBZLGYUUYUHO-WRWORJQWSA-N	219.049	-0.001	50	10	BBGE	
CC[C@@](C)(CN1CCN(C)CC1)C(=O)NN	1902716425	RUSCUUZZPAYDDD-NSHDSACASA-N	228.340	-0.360	50	10	BBGE	
CC(C)(CN1C[C@@]2(C)C[C@@]2(CO)C1)C(=O)NN	1906341444	USERAYIBOOJLBG-NEPJUHHUSA-N	241.335	-0.293	50	10	BBGE	
CC(C)[C@@H]1[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1908493025	AQYPXWOPHCQVHU-LNFKQOIKSA-N	241.335	-0.296	50	10	BBGE	
CO[C@@H]1CCN(C(=O)C(=O)NN)[C@@H]1C(C)(C)C	1909641803	ODANKXYUNPZWQJ-SFYZADRCSA-N	243.307	-0.362	50	10	BBGE	
C[C@@H]1CCN(C[C@@H]2C[C@H]2C(=O)NN)C[C@@]1(C)O	1909659437	LLUGQDLBQOCFQS-DTHBNOIPSA-N	241.335	-0.295	50	10	BBGE	
N[C@@H](CC(=O)NCC(Cl)Cl)C(=O)O	1913917414	WQIXMHSTVJQXQT-VKHMYHEASA-N	229.063	-0.292	50	10	BBGE	
CCN(C)S(=O)(=O)NNC(=O)C(F)(F)F	1923383512	VWKSPSMDORYTII-UHFFFAOYSA-N	249.214	-0.634	50	10	BBGE	
NC(=O)CO[C@@H]1CCN(C(=O)CCCl)C1	1928132504	IRLZORLFWAAZOW-SSDOTTSWSA-N	234.683	-0.282	50	10	BBGE	
Cc1c(O)cccc1C(=O)NNCCO	1929836864	QLQGMAZJJCOZNJ-UHFFFAOYSA-N	210.233	-0.073	50	10	BBGE	
O=C(CCn1cnnn1)NC[C@@H](Cl)CF	1930555285	IIHCUSVFRQVCAV-LURJTMIESA-N	235.650	-0.244	50	10	BBGE	
NNC(=O)CCN1CCCCCS1(=O)=O	1933998827	LRDYHOIXBXSNDV-UHFFFAOYSA-N	235.309	-0.818	50	10	BBGE	
C[C@@H]1[C@@H](O)CCCN1CC(F)(F)C(=O)NN	1935942480	QTMKWWSWNOFMBJ-RQJHMYQMSA-N	237.250	-0.543	50	10	BBGE	
C[C@@H]1CC(=O)N(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936086907	WYGZTRGBENPRBU-QYNIQEEDSA-N	225.248	-0.993	50	10	BBGE	
CCN(C[C@@H](C)OC)C[C@@H]1C[C@H]1C(=O)NN	1936091634	QRILQAHGEUWLQW-KXUCPTDWSA-N	229.324	-0.031	50	10	BBGE	
CC1(C)[C@H](O)CCN1C[C@@H]1C[C@H]1C(=O)NN	1936093977	JFOLLMNHIUHHPL-DJLDLDEBSA-N	227.308	-0.542	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)C[C@H]1COCCO1	1940286602	DUTLYSCFLAIMLB-UWVGGRQHSA-N	245.323	-0.652	50	10	BBGE	
CCN1CC[C@H](N(C)C[C@@H]2C[C@H]2C(=O)NN)C1	1941072903	KOBIZCPJQDXCSZ-GARJFASQSA-N	240.351	-0.362	50	10	BBGE	
CN(Cc1cnn(C)c1)C[C@@H]1C[C@@H]1C(=O)NN	1941081394	XFRIUVHREQUVTD-UWVGGRQHSA-N	237.307	-0.522	50	10	BBGE	
C[C@@]1(CO)CCCN(C[C@@H]2C[C@H]2C(=O)NN)C1	1941081891	DJMHYEHNXRZHIT-HOSYDEDBSA-N	241.335	-0.293	50	10	BBGE	
NNC(=O)[C@H]1C[C@@H]1CN1C(=O)CCCCC1=O	1941085541	DPYWCPMIXIHNLV-SFYZADRCSA-N	239.275	-0.458	50	10	BBGE	
CN(CCOCC(=O)NN)[C@@H]1COC(C)(C)C1	1941772174	FMZLNNRGRDQTBH-VIFPVBQESA-N	245.323	-0.508	50	10	BBGE	
CC[C@@H]1[C@@H](CO)CCN1CCOCC(=O)NN	1941774287	HNMMWKWFNAEXQI-NXEZZACHSA-N	245.323	-0.914	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@@H](O)[C@H](C2CC2)C1	1943083703	PDLZQQOKYPSOAD-ZRUFSTJUSA-N	239.319	-0.685	50	10	BBGE	
O=C1CN(C2CCN(CCF)CC2)CC(=O)O1	1948843406	CDHVQKCPAFWLRP-UHFFFAOYSA-N	244.266	-0.194	50	10	BBGE	
O[C@H]1[C@@H]2C[C@@H](CN2CCBr)[C@H]1O	1953513428	SOOGLXOHBBLZEB-HSNKUXOKSA-N	236.109	-0.193	50	10	BBGE	
O=S(=O)(CCl)N[C@@H]1CO[C@@H]2COC[C@@H]12	1955216419	ZVAQHNMPTCKQQX-RRKCRQDMSA-N	241.696	-0.484	50	10	BBGE	
NNC(=O)NC[C@@H]1C[C@@H]2OCC[C@@H]2O1	1955953335	PSWSOJNBLACMGC-ACZMJKKPSA-N	201.226	-0.894	50	10	BBGE	
C[C@@H](CC(=O)NN)SCCOCCN	1956691242	VJTKBMBPNQZNMO-ZETCQYMHSA-N	221.326	-0.537	50	10	BBGE	
NNC(=O)NCc1cccc(C(N)=O)c1	1958701774	NRPAHQPAKGFJKL-UHFFFAOYSA-N	208.221	-0.542	50	10	BBGE	
CC[C@@H](O)CN(CC)[C@@H](C)CC(=O)NN	1959510553	DYLUBLPUSPGJPC-DTWKUNHWSA-N	217.313	-0.152	50	10	BBGE	
NNC(=O)CN1CCS[C@@H]2COCC[C@@H]21	1961304084	JWISESAEXKYWPT-JGVFFNPUSA-N	231.321	-0.817	50	10	BBGE	
O=C(NC(CO)CO)C1CC(Cl)C1	1964853807	HNKGPPOQGLBZSG-UHFFFAOYSA-N	207.657	-0.527	50	10	BBGE	
CC(C)(CN1C[C@H]2C[C@H]1C[C@H]2O)C(=O)NN	1981217898	YSCSDAZSLIYIFK-HRDYMLBCSA-N	227.308	-0.542	50	10	BBGE	
NNC(=O)C(F)(F)CN1C[C@@H]2CCO[C@H]2C1	1981243056	RIPMHRWPLLRPMA-BQBZGAKWSA-N	235.234	-0.668	50	10	BBGE	
NNC(=O)CCO[C@H]1C[C@H](n2cnnc2)C1	1986234969	LUINTWVOXCANKW-ZKCHVHJHSA-N	225.252	-0.622	50	10	BBGE	
CC(C)(O)[C@@H](N)C(=O)N1CC=C(C#N)CC1	1987671068	LMWIFTMUIRIOPZ-VIFPVBQESA-N	223.276	-0.233	50	10	BBGE	
CN(CC(=O)NN)C[C@@]12CC[C@@](C)(CO1)C2	1990114684	KIDZDQVHQIJBCM-MNOVXSKESA-N	227.308	-0.133	50	10	BBGE	
O=C(NC1(C(=O)O)CC(CO)C1)[C@@H]1C[C@@H]1Cl	1991674644	GKOILYBSHOLCQW-PTBZLCQFSA-N	247.678	-0.044	50	10	BBGE	
N=c1ncn(CC(=O)NCC2CC(Cl)C2)[nH]1	1991711306	QHMBIWQHNGKUQD-UHFFFAOYSA-N	243.698	-0.176	50	10	BBGE	
CO[C@H](CN1CC(=O)OC(=O)C1)C(F)(F)F	1991824768	PNDMHSZLPGDBBH-RXMQYKEDSA-N	241.165	-0.051	50	10	BBGE	
O=C(CC1CC(F)(F)C1)NCC#CB(O)O	1992140960	OOLNHNKUDBNSQC-UHFFFAOYSA-N	231.007	-0.447	50	10	BBGE	
CC(C)CC1(C(=O)NCC#CB(O)O)CC1	1992141125	QSAGZKSQRHRNTE-UHFFFAOYSA-N	223.081	-0.056	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCC#CB(O)O	1992153237	MHIVPMAFGAKNPQ-UTINFBMNSA-N	221.065	-0.590	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(n2cncn2)CC1	2004042117	UVKZGQCFKZNWEU-QMMMGPOBSA-N	238.295	-0.707	50	10	BBGE	
CN(C[C@H]1CCOC1)c1ccncc1B(O)O	2004940687	ZDORLOJUAOLMHX-SECBINFHSA-N	236.080	-0.766	50	10	BBGE	
NNC(=O)CCCN1C[C@H](O)C2(CCCC2)C1	2006030286	MRMHHKWWGFOKQN-JTQLQIEISA-N	241.335	-0.007	50	10	BBGE	
CC[C@H](O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)NN	2012099588	MDOZPYTXBDSKCM-YIZRAAEISA-N	239.279	-0.233	50	10	BBGE	
NNC(=O)C1(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1	2012900658	YAPOKHUJMMDHHJ-ILWJIGKKSA-N	239.319	-0.541	50	10	BBGE	
C[C@H](CN1CC(c2ccn(C)n2)C1)C(=O)NN	2019133528	LVYFFWIWHXLODG-MRVPVSSYSA-N	237.307	-0.555	50	10	BBGE	
COCC1CC(Oc2ccncc2B(O)O)C1	2026330619	DLDWDNYOKPMBRQ-UHFFFAOYSA-N	237.064	-0.435	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCC2(CC1)CC(=O)N2	2026528096	AFENVBNJCWWHID-MRVPVSSYSA-N	240.307	-0.891	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCc2nnccc2C1	2043020197	QNHWLANCWDLGND-BDAKNGLRSA-N	249.318	-0.151	50	10	BBGE	
CC[C@]12C[C@H]1CN(c1ncnc(C)c1B(O)O)C2	2052558574	UVCKXRFCAKCYAO-JOYOIKCWSA-N	247.107	-0.299	50	10	BBGE	
CCOc1cc(F)cc([N+](=O)[O-])c1B(O)O	2060129464	MTXFPVCWUWBWEP-UHFFFAOYSA-N	228.972	-0.188	50	10	BBGE	
Cc1cnc(OC2CC3(COC3)C2)c(B(O)O)c1	2061753203	FSWUQGGSAMFHJU-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
Cc1ncn(C)c1C(=O)N[C@H]1CCC=C1B(O)O	2076078521	ILSCOMYPOIZVNB-VIFPVBQESA-N	249.079	-0.441	50	10	BBGE	
Cc1ccc(CO[C@H]2CCN(C)C2)cc1B(O)O	2077340912	XGYPARZVHHJOMW-LBPRGKRZSA-N	249.119	-0.104	50	10	BBGE	
O=C(c1ccccc1B(O)O)N1C[C@H]2CC[C@H]2C1	2079010158	XLJYAHOXQKFDBL-AOOOYVTPSA-N	245.087	-0.152	50	10	BBGE	
O=C(Nc1ccccc1B(O)O)[C@]12C[C@H](CO1)C2	2084447450	XFJUPCLEHWJDQG-LYWQIFSTSA-N	247.059	-0.516	50	10	BBGE	
N=c1nnc(=NC2CC(Br)C2)[nH][nH]1	2209173176	OZBSIWVCRSEZTP-UHFFFAOYSA-N	245.084	-0.561	50	10	BBGE	
O=C(Cl)C=CC(=O)N[C@@H]1CCC[C@H](O)[C@@H]1O	2210148119	ZQUQHLGCXFJVRB-MATHAZKKSA-N	247.678	-0.302	50	10	BBGE	
NNC(=O)C1(CN2CC(F)(CO)C2)CCC1	2212250955	YVBIOUHXZMVFGT-UHFFFAOYSA-N	231.271	-0.837	50	10	BBGE	
CN1CC2(CCN2C[C@@H]2C[C@@H]2C(=O)NN)C1	2212300903	JDZMUQIREIMRRL-IUCAKERBSA-N	224.308	-0.998	50	10	BBGE	
Cc1c[nH]c(=NCC[C@@H](C)F)cc1B(O)O	2212604052	LLALFXXGUNPIBP-MRVPVSSYSA-N	226.060	-0.348	50	10	BBGE	
CC[C@@H](CN)COc1cc(B(O)O)ccn1	2212605441	DYIQTJHNGZLLBV-QMMMGPOBSA-N	224.069	-0.875	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1[C@H]2CC[C@H]1COC2	2215772045	LOZXHCZKWIXBGP-VPOLOUISSA-N	239.319	-0.134	50	10	BBGE	
Cc1cnc(NCc2ncon2)cc1B(O)O	2217182501	DCEKKYKKHKHQOV-UHFFFAOYSA-N	234.024	-0.935	50	10	BBGE	
CC1(C)NCC[C@H]1Oc1cc(B(O)O)ccn1	2217193428	MTQWXIIMCJMWAG-SECBINFHSA-N	236.080	-0.719	50	10	BBGE	
OB(O)c1ccc(=NCCc2cccs2)[nH]c1	2217197828	RPKMTXRFDGQQSW-UHFFFAOYSA-N	248.116	-0.101	50	10	BBGE	
OB(O)c1cccnc1NCCc1ncccn1	2223640575	XHGFRQZBEDEJTG-UHFFFAOYSA-N	244.063	-0.794	50	10	BBGE	
CN1C(=O)[C@@H](F)C(=O)N(C[C@H](Cl)C#N)C1=O	2243050349	FEJLUZKWDVYTKK-RFZPGFLSSA-N	247.613	-0.124	50	10	BBGE	
C[C@H](NC(=O)c1ccsc1B(O)O)C1CC1	2243358084	BUZIDXSCFOOKON-LURJTMIESA-N	239.105	-0.044	50	10	BBGE	
O=C(N1CC[C@@]12CCOC2)C1(B(O)O)CC1	2243364429	XBMGDNONZDPPTJ-VIFPVBQESA-N	225.053	-0.615	50	10	BBGE	
C[C@H]1C[C@H](CNC(=O)C2(B(O)O)CC2)CN1	2243364566	ZAPPQDBXNDGXSB-YUMQZZPRSA-N	226.085	-0.892	50	10	BBGE	
COC[C@H](NC(=O)C1(B(O)O)CC1)C1CC1	2243365164	IRXZKWCJYLIVGN-QMMMGPOBSA-N	227.069	-0.465	50	10	BBGE	
O=C(NCc1csc(O)n1)[C@H]1C[C@@H]1B(O)O	2243395651	AEASAVORLQFUBB-WDSKDSINSA-N	242.065	-0.672	50	10	BBGE	
CN(C(=O)C#CB(O)O)C1(C)CCOCC1	2243404536	PTYADIWEFOOADQ-UHFFFAOYSA-N	225.053	-0.971	50	10	BBGE	
CC(C)OCCCNC(=O)[C@H]1C[C@H]1B(O)O	2243405057	YTKAANRUZJATNR-DTWKUNHWSA-N	229.085	-0.219	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H]1C=C(C)CC1)B(O)O	2243412349	LGGDFKRPRXDBTE-VIFPVBQESA-N	245.109	-0.417	50	10	BBGE	
N[C@H]1CCC[C@H]1NC(=O)C1CC(B(O)O)C1	2243414204	VSMCRSYSTAMLNL-ABIFROTESA-N	226.085	-0.765	50	10	BBGE	
O=C(N[C@H](CO)CC1CC1)[C@H]1C[C@@H]1B(O)O	2243426663	JZHZUINFDTXTHS-CIUDSAMLSA-N	227.069	-0.874	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1CC[C@@H]2C[C@H]21	2244205670	MABIDROLZGYZRC-HTRCEHHLSA-N	221.021	-0.806	50	10	BBGE	
O=C(N[C@@H]1C[C@H]2CO[C@H]1C2)[C@@H]1C[C@@H]1B(O)O	2244342812	BKYPBNHDZUANCY-ZEBDFXRSSA-N	225.053	-0.857	50	10	BBGE	
OB(O)c1cc(N[C@H]2CCOC2)ncc1Cl	2245912802	HOCQMUGGQMWGJU-LURJTMIESA-N	242.471	-0.384	50	10	BBGE	
OB(O)c1cc(N[C@@H]2CCOC2)ncc1Cl	2245912803	HOCQMUGGQMWGJU-ZCFIWIBFSA-N	242.471	-0.384	50	10	BBGE	
C[C@]12CO[C@](COCCOCC(=O)NN)(C1)C2	2247364671	WLLFMWHSGXUAKK-PHIMTYICSA-N	244.291	-0.421	50	10	BBGE	
O=C(NC[C@@H]1CC[C@H](O)C1)C1(B(O)O)CCC1	2247733990	FLUBMQVYOIYNGR-BDAKNGLRSA-N	241.096	-0.339	50	10	BBGE	
CC[C@H]1CCN(C(=O)c2coc(B(O)O)c2)C1	2247735244	XTHRIQLLRREIOB-QMMMGPOBSA-N	237.064	-0.169	50	10	BBGE	
CN1CC[C@@H](CN(C)C(=O)C2(B(O)O)CC2)C1	2247753892	KGPLOHBUBVJSCO-SECBINFHSA-N	240.112	-0.597	50	10	BBGE	
COC(=O)C1CN(C(=O)C2(B(O)O)CCC2)C1	2247754220	CUDXBPIQZVDELY-UHFFFAOYSA-N	241.052	-0.985	50	10	BBGE	
N[C@@H]1CCCCCN(C(=O)C2(B(O)O)CC2)C1	2247759149	ZFGFUSGLWJSDMM-SECBINFHSA-N	240.112	-0.277	50	10	BBGE	
Cc1ccc(B(O)O)cc1C(=O)NCCCF	2247760612	KTYFYDUTRBNBTF-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1cncc(B(O)O)c1	2247770901	RSWRWFFHXMJTIW-SFYZADRCSA-N	234.064	-0.758	50	10	BBGE	
CCN(CC(C)C)C(=O)c1c[nH]nc1B(O)O	2247780362	ATAXYXRCIQUXHQ-UHFFFAOYSA-N	239.084	-0.792	50	10	BBGE	
CC(C)(CCCO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247797176	GVRIYVVDKWEYNS-DTWKUNHWSA-N	243.112	-0.236	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1CCC[C@@]12CCNC2	2247799114	ZVGTUQNONJDPJT-KKZNHRDASA-N	238.096	-0.796	50	10	BBGE	
O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@@H]1B(O)O	2247808395	UVJYQOAWKJUIKG-JEZHCXPESA-N	238.096	-0.798	50	10	BBGE	
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2CO1)[C@@H]1C[C@H]1B(O)O	2247809074	NLTYMXWYXJUOFE-SQXHDICFSA-N	239.080	-0.610	50	10	BBGE	
CN(C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)C#CB(O)O	2247847740	AZFAZMAECSPHHX-GARJFASQSA-N	235.092	-0.104	50	10	BBGE	
C[C@H](Cc1cccnc1)NC(=O)C#CB(O)O	2247850219	LNFRJSLCGHLOQV-SECBINFHSA-N	232.048	-0.856	50	10	BBGE	
C=C[C@@H]1CCCN1C(=O)c1coc(B(O)O)c1	2247871216	XQGGFYJKJPAPQN-SECBINFHSA-N	235.048	-0.250	50	10	BBGE	
CN(C(=O)C1(B(O)O)CC1)[C@H]1CO[C@H]2C[C@@H]1C2	2247872437	RXHLEMFDGSOVIX-YIZRAAEISA-N	239.080	-0.371	50	10	BBGE	
O=C(NC[C@@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CC1	2247873283	IBZPWNCHLXGFEF-HLTSFMKQSA-N	239.080	-0.465	50	10	BBGE	
COC(=O)C(C)(C)NC(=O)[C@H]1C[C@@H](B(O)O)C1	2247899820	QKUGMTHIAXFGQC-KNVOCYPGSA-N	243.068	-0.693	50	10	BBGE	
CC1(C)CN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CCN1	2247906021	WRXAVBQFTVPNJK-DTORHVGOSA-N	240.112	-0.550	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(B(O)O)cc1	2247969182	AHYZKVHOIDBWDI-XVKPBYJWSA-N	234.064	-0.104	50	10	BBGE	
C#CCCC(=O)Nc1ccc(B(O)O)cc1F	2248414943	RYALBTUGAHPXON-UHFFFAOYSA-N	235.023	-0.143	50	10	BBGE	
CCCC[C@H](NC(=O)[C@@H]1C[C@H]1B(O)O)C(=O)O	2248574813	VELBVKOVOSRRIQ-PRJMDXOYSA-N	243.068	-0.391	50	10	BBGE	
C=COCCCNC(=O)c1cocc1B(O)O	2249415545	FYPNYAIEWQKKCZ-UHFFFAOYSA-N	239.036	-0.761	50	10	BBGE	
CC(C)(C)[C@@H](C(=O)NN)N1C[C@@H]2C[C@H](C1)[C@@H]2O	2249559879	WTYNPDNMPGLLJT-XFWSIPNHSA-N	241.335	-0.296	50	10	BBGE	
C[C@@H](Nc1ncccc1B(O)O)[C@H]1CCCN1	2249851118	DZTXINKFVPHIRH-PSASIEDQSA-N	235.096	-0.686	50	10	BBGE	
CCCNC[C@H](C)Oc1cc(B(O)O)ccn1	2250575318	RWAWKQPPWXWXME-VIFPVBQESA-N	238.096	-0.472	50	10	BBGE	
CN(CC1CC1)C(=O)Nc1ccc(B(O)O)cn1	2254646883	DLWLZWLEFIOJIL-UHFFFAOYSA-N	249.079	-0.365	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3coc(B(O)O)c3)C[C@H]21	2255452862	BVHKBUDWDTXTSX-DTORHVGOSA-N	249.075	-0.313	50	10	BBGE	
N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255464200	SUWFDIFSHHQTHB-IONNQARKSA-N	247.063	-0.883	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1C[C@H]1c1ccccc1	2255472389	FQBLIULONICROU-RYUDHWBXSA-N	243.071	-0.078	50	10	BBGE	
O=C(N[C@H]1CC=CCC1)c1ncccc1B(O)O	2255519819	BSAHJYYOCVKKIM-VIFPVBQESA-N	246.075	-0.400	50	10	BBGE	
CN(C(=O)c1n[nH]cc1B(O)O)c1ccccc1	2255550598	YJIHJJWQFXJWCN-UHFFFAOYSA-N	245.047	-0.634	50	10	BBGE	
O=C(N[C@H]1CCCC12CC2)c1cc(B(O)O)n[nH]1	2255764020	VDRQKCSVQHXYJQ-QMMMGPOBSA-N	249.079	-0.848	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2C2CC2)oc1B(O)O	2255779983	OROQCCKSENLODJ-RKDXNWHRSA-N	249.075	-0.204	50	10	BBGE	
OB(O)c1cccc(CN2C[C@H]3COC[C@H]2C3)c1	2258758078	AMTCOAOPCYAJSP-WCQYABFASA-N	247.103	-0.413	50	10	BBGE	
CO[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2B(O)O)CC1(C)C	2298370406	YDSHWMGQXAZRBR-LURQLKTLSA-N	241.096	-0.221	50	10	BBGE	
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2B(O)O)C[C@H](C)C1N	2298376078	HANWBXBQKQZZPP-RBXMUDONSA-N	240.112	-0.709	50	10	BBGE	
O=C(c1cc(B(O)O)co1)N1C[C@H]2C=C[C@@H]1C2	2298532498	ORBQXWMSOAHPLK-IONNQARKSA-N	233.032	-0.640	50	10	BBGE	
CN(CCC[C@@H]1C[C@@H]1C(=O)NN)[C@H]1C[C@H](O)C1	2300375743	XFFXDXQALNKUED-DBIOUOCHSA-N	241.335	-0.152	50	10	BBGE	
COC[C@@H](OC[C@@H]1CCC[C@H](C)O1)C(=O)NN	2301138639	YFKRJSVELROQMI-LPEHRKFASA-N	246.307	-0.035	50	10	BBGE	
CC[C@@H](CN)Nc1ccc(B(O)O)cc1C#N	2301345017	ASKSQZKSHZDLAN-JTQLQIEISA-N	233.080	-0.613	50	10	BBGE	
COc1ccc(NC(=O)C(C)C)cc1B(O)O	2301525155	LWXFECPZOZQUBM-UHFFFAOYSA-N	237.064	-0.031	50	10	BBGE	
NC[C@]12C[C@H](CCN1C(=O)[C@@H]1C[C@@H]1B(O)O)C2	2302201680	PAAUQPCLQMCGTK-REIXXSIJSA-N	238.096	-0.811	50	10	BBGE	
COC[C@@H]1C[C@H]1Nc1cc(B(O)O)c(F)cn1	2303837253	XNQAVBUQEUDJIC-IMTBSYHQSA-N	240.043	-0.653	50	10	BBGE	
O=C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1coc(B(O)O)c1	2312848356	DCUHSTYKQWCIEG-HGNGGELXSA-N	249.075	-0.122	50	10	BBGE	
OCC12CC(CCN1c1ncccc1B(O)O)C2	2314877338	JVBMIFYZUGIHFZ-UHFFFAOYSA-N	248.091	-0.887	50	10	BBGE	
C[C@H](Oc1ccc(B(O)O)cc1C#N)C1(N)CC1	2317212094	QWKRQCPSMRTOKS-QMMMGPOBSA-N	246.075	-0.503	50	10	BBGE	
O=Cc1ccc(NCCC2(O)CC2)cc1B(O)O	2317308618	LJAMXFLWYUYWGN-UHFFFAOYSA-N	249.075	-0.494	50	10	BBGE	
O=Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]32)cc1B(O)O	2317308882	NJMDVYFTKMNVKA-WCQGTBRESA-N	247.059	-0.622	50	10	BBGE	
N#CC(=CNCC(=O)O)C(=O)NCc1ccco1	2325494471	GLSZCKQCFQTJPO-UHFFFAOYSA-N	249.226	-0.023	50	10	BBGE	
NNC(=O)C(=O)N1CCc2sccc2C1	36948182	YIJCJDDEIMLKRF-UHFFFAOYSA-N	225.273	-0.377	50	10	BBGE	
NNC(=O)COCC(=O)N1CCCCC1	58845122	PCRSNMNRRPNDLP-UHFFFAOYSA-N	215.253	-0.995	50	10	BBGE	
CC(C)OCCCNCCC(=O)NN	58845986	NHHSBYHNGZWVHM-UHFFFAOYSA-N	203.286	-0.229	50	10	BBGE	
NNC(=O)CCNCCN1CCCC1	58850103	XMGZRPVJDSMRLJ-UHFFFAOYSA-N	200.286	-0.948	50	10	BBGE	
C[C@H](CN1CCC[C@H](CO)C1)C(=O)NN	82465840	IRXRLXYWOUWDAP-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
NNC(=O)CCCN1CCSC1=O	82471396	ZZRFAVMYWDSPKA-UHFFFAOYSA-N	203.267	-0.075	50	10	BBGE	
NNC(=O)Cc1ccc(CN2CC[C@H](O)C2)cc1	97812277	JVHXYFPUMVDTQR-LBPRGKRZSA-N	249.314	-0.214	50	10	BBGE	
NNC(=O)[C@H](c1ccccc1)N1CCNCC1	110587955	GSMTWXCWCXGPJF-NSHDSACASA-N	234.303	-0.377	50	10	BBGE	
C[C@]1(O)CCCN(CCCCC(=O)NN)C1	157538020	CCHJUXUSOFVZGC-NSHDSACASA-N	229.324	-0.007	50	10	BBGE	
O[C@H]1C=C[C@@H](O)[C@H](O)[C@@H]1Br	169643493	PAROLDXMOUZNDL-KCDKBNATSA-N	209.039	-0.598	50	10	BBGE	
COCCC[C@@](N)(CCCCB(O)O)C(=O)O	170185207	PWLFEFYVZPXSMM-JTQLQIEISA-N	247.100	-0.162	50	10	BBGE	
CNCC(=O)NNC(=O)CC1CCCC1	193128910	VKCMVOWKQFOAPQ-UHFFFAOYSA-N	213.281	-0.067	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N1CCC[C@@H](C(N)=O)C1	223063731	KJEHUZHXJHRFOF-BDAKNGLRSA-N	242.323	-0.802	50	10	BBGE	
CCn1cc(O[C@H](COC)C(=O)NN)cn1	232418717	SUWAAQNADXSPOK-MRVPVSSYSA-N	228.252	-0.713	50	10	BBGE	
COC[C@H](C(=O)NN)N(CCCO)C(C)C	232420133	UBNKQWLQGSLAAW-SECBINFHSA-N	233.312	-0.916	50	10	BBGE	
Cn1nnc(CN2CCOC[C@H]2CCl)n1	236093265	RAQLKYUKBNXZLT-SSDOTTSWSA-N	231.687	-0.350	50	10	BBGE	
Cn1c(Cl)cnc1CNC(=O)NN	307032372	RMYSWNKAXUMYFL-UHFFFAOYSA-N	203.633	-0.254	50	10	BBGE	
CC(=O)NCCN(C)C(=O)NC(=O)CCl	308153870	SGYHKWRBGWBBKU-UHFFFAOYSA-N	235.671	-0.471	50	10	BBGE	
O=C(NNC(=O)C1CNC1)c1cccs1	309663043	YYEBPKVRCJPDAX-UHFFFAOYSA-N	225.273	-0.272	50	10	BBGE	
CNC(=S)NNC(=O)COC(F)F	379405537	UGFLZQDEMNTONN-UHFFFAOYSA-N	213.209	-0.649	50	10	BBGE	
CC(=O)NNC(=O)CN[C@H](C)c1nccs1	381329023	SFRKZLVFZMRSDJ-ZCFIWIBFSA-N	242.304	-0.039	50	10	BBGE	
C[C@H]1CNC[C@@H]1C(=O)NNC(=O)C1CC1	390746698	AMUXMTKKZUUIJV-XPUUQOCRSA-N	211.265	-0.601	50	10	BBGE	
O=Cc1cccc(B(O)O)c1CCC(=O)O	396047300	GBZCGTSOHSHRGL-UHFFFAOYSA-N	222.005	-0.804	50	10	BBGE	
Nc1cc2c(C(=O)O)cc(B(O)O)cc2s1	396245020	QBCOZZAGTSFPNK-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
CSSCCNC[C@H](N)C(=O)O	397910682	ZLNORUBLHAMVAQ-YFKPBYRVSA-N	210.324	-0.001	50	10	BBGE	
C[C@@H]1C[C@H](CO)CN(CCC(=O)NN)C1	398862900	WVONEFUQJPZJBP-BDAKNGLRSA-N	215.297	-0.683	50	10	BBGE	
COC(C)(C)CN(C)CCC(=O)NN	404255709	RBNHBAWYTJUOKT-UHFFFAOYSA-N	203.286	-0.277	50	10	BBGE	
NC(=O)Nc1cc(Cl)ccc1B(O)O	405192635	YVAJQMNZSIRBGY-UHFFFAOYSA-N	214.417	-0.490	50	10	BBGE	
C[C@@H]1OC[C@H](N2CC(=O)OC(=O)C2)[C@H]1C	405572210	WXIXWBRKAINDAB-FXQIFTODSA-N	213.233	-0.205	50	10	BBGE	
C[C@@H](CN(C)C[C@@]1(C)CCOC1)C(=O)NN	687519550	LSSLOXJAUWXVNY-GXSJLCMTSA-N	229.324	-0.029	50	10	BBGE	
CN1CC[C@@H](N(C)S(=O)(=O)CCl)C1=O	690248373	BWBNQYZMMFRKSF-ZCFIWIBFSA-N	240.712	-0.325	50	10	BBGE	
C[C@H](CCC(=O)NN)N(C)C1CC(C(N)=O)C1	703531857	YNOOPPLDXFLJJO-AFPNSQJFSA-N	242.323	-0.659	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H]2C[C@H](O)C[C@H]1C2	710477217	NUIWHELJYYQYRT-CHWFTXMASA-N	241.335	-0.154	50	10	BBGE	
COC[C@@H](CCl)NCCn1cnnn1	712591530	JIPOEBWQXZGQTG-SSDOTTSWSA-N	219.676	-0.484	50	10	BBGE	
NNC(=O)CCCSc1nc(O)cc(O)n1	716516596	HHORXKKQJSCPQQ-UHFFFAOYSA-N	244.276	-0.250	50	10	BBGE	
COc1cc(CN(C)[C@H](C)C(=O)NN)sn1	722404925	WHJYUYZNQSZDEH-ZCFIWIBFSA-N	244.320	-0.038	50	10	BBGE	
O=C1C[C@@H]2CCN(C(=O)CCl)C[C@@H]2N1	725665722	YQCGVDPKHUZBEL-BQBZGAKWSA-N	216.668	-0.038	50	10	BBGE	
O=C1CC[C@H](C(=O)NN=Cc2ccnc(O)c2)N1	863150691	BAJBWIHAMRXXSF-MRVPVSSYSA-N	248.242	-0.484	50	10	BBGE	
CC(=O)NNC(=O)[C@H]1CCn2cc(C)nc2C1	1261787098	DALTXVUQOCXLRA-VIFPVBQESA-N	236.275	-0.079	50	10	BBGE	
C/C=C/[C@H](O)C(=O)NNC(=O)c1ccc[nH]1	1290262509	ZFHCUOQASUWTDF-KHVHVRLGSA-N	223.232	-0.287	50	10	BBGE	
O=C(CO)NN=C1CCC[S@@](=O)CC1	1327681088	RPZIXUCIJYNIQH-CQSZACIVSA-N	218.278	-0.617	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H](O)C1	1627288961	ZKWSBPAWIZOEJR-KNVOCYPGSA-N	238.247	-0.750	50	10	BBGE	
C[C@@H](CO)N(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1	1640025615	FJCUFECNMONOLQ-LURJTMIESA-N	242.235	-0.120	50	10	BBGE	
CN(n1cnnc1CCl)S(C)(=O)=O	1888562700	ZNKNWNCTKCRGRQ-UHFFFAOYSA-N	224.673	-0.456	50	10	BBGE	
C[C@@H]1OCC[C@@H]1CC(=O)NNC(N)=O	1892662671	URWPPEAQGAUUGB-NTSWFWBYSA-N	201.226	-0.499	50	10	BBGE	
N[C@H](CC(=O)NC[C@H]1C[C@@H]1Cl)C(=O)O	1893120954	ZJMNPCGZDJAFQG-NGJCXOISSA-N	220.656	-0.468	50	10	BBGE	
CO[C@H]1CC(=O)N([C@H](C)CC(=O)NN)C1	1893865051	SLTQAHNQMHOQQZ-RQJHMYQMSA-N	215.253	-0.998	50	10	BBGE	
CC(C)S(=O)(=O)N(C)NC(=O)c1cn[nH]c1	1901336377	DBVMPJSVBODOPJ-UHFFFAOYSA-N	246.292	-0.276	50	10	BBGE	
CCCS(=O)(=O)N(C)NC(=O)[C@@H]1C[C@@H](C)N1	1901340450	FAKAUUQTPDRZNI-SFYZADRCSA-N	249.336	-0.560	50	10	BBGE	
COC[C@H](C(=O)NN)N(C)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	1906600277	ZJUKEQYIJWFXPB-VVULQXIFSA-N	239.319	-0.423	50	10	BBGE	
CN(C[C@@H](Cl)C(=O)O)S(C)(=O)=O	1913502732	KFPZIXGQPOLSHL-SCSAIBSYSA-N	215.658	-0.430	50	10	BBGE	
CC[C@H]1CCN([C@H](C)C(=O)NN)CCO1	1913634558	LRLLDVWZTOOXAU-BDAKNGLRSA-N	215.297	-0.134	50	10	BBGE	
CCCN(CC1(C(=O)NN)CC1)S(C)(=O)=O	1913828760	KNBBCPCWFOCBPL-UHFFFAOYSA-N	249.336	-0.572	50	10	BBGE	
COCC1CN([C@@H](C(=O)NN)C(C)(C)C)C1	1916282062	VZQTZFDOXXYNAY-VIFPVBQESA-N	229.324	-0.031	50	10	BBGE	
Cn1ncnc1SCC(F)(F)C(=O)NN	1927812700	OCZGMRIZDPLYNU-UHFFFAOYSA-N	237.235	-0.468	50	10	BBGE	
CNNC(=O)c1nnn(C)c1C(F)(F)F	1927927687	KEPNVRYOXXARIS-UHFFFAOYSA-N	223.158	-0.302	50	10	BBGE	
CC[C@@H](COC)CC(=O)NNCCO	1932157327	MCMOCPBFVYGJQF-MRVPVSSYSA-N	204.270	-0.338	50	10	BBGE	
CC(=O)c1cnn(C[C@H]2C[C@@H]2C(=O)NN)c1	1936081957	BHWIKSZKCPUHEH-APPZFPTMSA-N	222.248	-0.288	50	10	BBGE	
Cc1nn(C)c(C)c1CCC(=O)NNCCO	1944210199	TZKHYVDKEZDYLV-UHFFFAOYSA-N	240.307	-0.417	50	10	BBGE	
CN(CCOCC(=O)NN)CC1[C@H]2CCC[C@H]12	1945073979	HJNBDLXQHRIQPX-UWVGGRQHSA-N	241.335	-0.029	50	10	BBGE	
C[C@H](O)C[C@H]1CCCN1CC1(C(=O)NN)CC1	1945882769	MSOZUGNVNWBUMC-VHSXEESVSA-N	241.335	-0.008	50	10	BBGE	
COC[C@@]1(O)CCCN([C@@H](C)CC(=O)NN)C1	1946459419	FUSULFWVLBNERY-GXSJLCMTSA-N	245.323	-0.772	50	10	BBGE	
CN1CCN(C[C@H](O)CCl)C(=O)C1	1954037094	OTKSQYDPEZESQH-SSDOTTSWSA-N	206.673	-0.640	50	10	BBGE	
C[C@@H]1CCCN1c1nc(B(O)O)cs1	1956966453	VMTJBTJAIWLJTM-ZCFIWIBFSA-N	212.083	-0.188	50	10	BBGE	
CC[C@H](O)CN(CC)C[C@@H](C)C(=O)NN	1959510403	BCIGFBWMBPREST-BDAKNGLRSA-N	217.313	-0.295	50	10	BBGE	
C#C[C@H](CCl)NS(=O)(=O)c1cnn(C)c1	1974785304	KLOPGXWPPZZQKV-SSDOTTSWSA-N	247.707	-0.061	50	10	BBGE	
CO[C@H]1CC[C@@H](N(C)C(=O)C(=O)NN)CC1	1976653278	FGZICJJBMJJJFS-OCAPTIKFSA-N	229.280	-0.608	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1CN1CCOC2(CC2)C1	1980206035	VCDXIMVWTBRXME-IUCAKERBSA-N	225.292	-0.523	50	10	BBGE	
OB(O)c1cccnc1N1C[C@H]2C[C@H]1CS2	1981424502	URUZAVVXCCQTLX-JGVFFNPUSA-N	236.105	-0.545	50	10	BBGE	
CN(C)NC(=O)[C@@H]1CN[C@H]2CCOC[C@H]2C1	1984480464	CCIWLPZPEHBLQG-AEJSXWLSSA-N	227.308	-0.406	50	10	BBGE	
N#C[C@H](Cl)CN1CC([C@@H]2NC(=O)NC2=O)C1	1986664690	UOVGJXOXMUCXNU-BQBZGAKWSA-N	242.666	-0.743	50	10	BBGE	
CN(CC(=O)NN)[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	1988058622	HAITUBYMTXDHOA-VCMDJLOCSA-N	225.292	-0.526	50	10	BBGE	
NN=c1cncc(C(=O)NC[C@H]2C[C@@H]2Cl)[nH]1	1991432888	NJDYPOIJIKUZLY-RITPCOANSA-N	241.682	-0.459	50	10	BBGE	
O=C1CN(C(=O)[C@@H]2C[C@@H]2Cl)[C@@H](C(=O)O)CN1	1991681389	AEOFBBFEWXPTEJ-NGJCXOISSA-N	246.650	-0.975	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCC[C@H]1CNCCO1	1991705436	FABHNLKNGKFXQO-CMLYIYFCSA-N	246.694	-0.197	50	10	BBGE	
O=C(NCC#CB(O)O)c1ccc(F)cc1	1992145860	OMDFZQWFFAPJCC-UHFFFAOYSA-N	220.996	-0.429	50	10	BBGE	
C[C@]1(CNC(=O)C=CC(=O)Cl)CCNC1=O	1993218525	STNBADPXKZRQNI-SNVBAGLBSA-N	244.678	-0.050	50	10	BBGE	
COCCOC[C@@H]1CCCN1[C@@H](C)C(=O)NN	1996848114	FILYEOJIHXXDAP-UWVGGRQHSA-N	245.323	-0.508	50	10	BBGE	
CN(CC1(C(=O)NN)CC1)[C@H]1CC[C@@H](O)CC1	1997587987	JYWMEPKYUQJAPK-AOOOYVTPSA-N	241.335	-0.008	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1CC[C@@H]1c1ncon1	1997763866	BUMWZKGQZQKOJJ-SFYZADRCSA-N	239.279	-0.025	50	10	BBGE	
CC(=O)NNC(=O)CN1CCC12CC(CO)C2	1997980482	NLDTYHKTJXZDFL-UHFFFAOYSA-N	241.291	-1.000	50	10	BBGE	
CN1CCN([C@H](C(=O)NN)C(C)(C)C)[C@H]2C[C@@H]21	2002910852	UOKJGGARFFSDJJ-LPEHRKFASA-N	240.351	-0.221	50	10	BBGE	
CN1CCN(CC(F)(F)C(=O)NN)[C@H]2CC[C@@H]21	2002913549	BZPCKVLQVIQARF-YUMQZZPRSA-N	248.277	-0.610	50	10	BBGE	
CN(C)NC(=O)N[C@@H]1CCCN(CC(=O)O)C1	2003487120	DIFSDCQZDPOZHQ-MRVPVSSYSA-N	244.295	-0.689	50	10	BBGE	
CCCNC(=O)[C@H]1CCCN1[C@@H](C)C(=O)NN	2003617712	HKJFVCZSPRELDO-DTWKUNHWSA-N	242.323	-0.645	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1cccn1C	2004189536	ZKJPOYCQIZFOOA-JTQLQIEISA-N	240.307	-0.538	50	10	BBGE	
CCN([C@H]1CCNC1=O)[C@H](C)CCC(=O)NN	2004314245	ODJQOEBLKFJRHF-BDAKNGLRSA-N	242.323	-0.645	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CCC[C@H]1F	2006795508	SCQOSSNBMZCUJS-RKDXNWHRSA-N	239.059	-0.517	50	10	BBGE	
NNC(=O)c1occc1CN1CC=C[C@H]1CO	2007496819	YCUPACKTMRABPY-VIFPVBQESA-N	237.259	-0.384	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)[C@@H]1CCC(=O)NC1	2012017868	VXOHCKVAYBCYPZ-XHNCKOQMSA-N	242.323	-0.789	50	10	BBGE	
COCCCCOc1nc(C)ccc1B(O)O	2014225373	PUTOMWSSAVURRR-UHFFFAOYSA-N	239.080	-0.125	50	10	BBGE	
CC1CCN(C2CN([C@@H](C)C(=O)NN)C2)CC1	2014764433	DTYOTGGTMKLTFY-JTQLQIEISA-N	240.351	-0.219	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCO[C@@H]1C	2019208315	HOLNJNWIBYUMTJ-SCZZXKLOSA-N	243.307	-0.490	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H]1C[C@H](C)O[C@@H]1C	2019211493	QGQBKHBDCNKEAO-QXFUBDJGSA-N	243.307	-0.349	50	10	BBGE	
O=C(N[C@@H]1CC1(F)F)c1ccccc1B(O)O	2022195870	BZGYYZVEWBDBCH-MRVPVSSYSA-N	241.002	-0.496	50	10	BBGE	
O=C(NCCCCF)c1ccccc1B(O)O	2022196632	OXMLOKARENIPAE-UHFFFAOYSA-N	239.055	-0.154	50	10	BBGE	
NNC(=O)C12COC(CN3CC[C@H]4C[C@H]43)(C1)C2	2023853177	KNKIRLYMSMTAFV-CAQTZKSYSA-N	237.303	-0.380	50	10	BBGE	
OB(O)c1cnc(N2CC[C@@H]3CCCC[C@H]32)nc1	2052469439	QTHRVYKXBSECJK-GXSJLCMTSA-N	247.107	-0.075	50	10	BBGE	
Cc1nc(N2CC3(CCOC3)C2)ccc1B(O)O	2052625628	ZZNTYMSVCCDTAP-UHFFFAOYSA-N	248.091	-0.703	50	10	BBGE	
CCOc1c(F)ccc(C=O)c1B(O)O	2060113878	WPONNRGJBZQRMF-UHFFFAOYSA-N	211.985	-0.283	50	10	BBGE	
CCOc1cc(C#N)c([N+](=O)[O-])c(B(O)O)c1	2060216161	OTVSBEGMKVTPOG-UHFFFAOYSA-N	235.992	-0.455	50	10	BBGE	
CN(c1ncc(B(O)O)cn1)[C@@H]1CC[C@]2(C)C[C@H]12	2065691148	DKDKRTJSKAKMCN-CKYFFXLPSA-N	247.107	-0.219	50	10	BBGE	
OB(O)c1cncc(OC[C@@]23CCOC[C@H]2C3)c1	2074096432	YQGYOGZADPLNHN-SKDRFNHKSA-N	249.075	-0.433	50	10	BBGE	
O=C(CN1C[C@@H]2COC[C@@H]21)NNc1ccccn1	2075111276	VXVCEFIADMAABS-ZJUUUORDSA-N	248.286	-0.145	50	10	BBGE	
C[C@H]1[C@@H](O)C[C@@H](C)CN1[C@H](C)CC(=O)NN	2211251858	XFXHLYXBKPYSIU-IMSYWVGJSA-N	229.324	-0.154	50	10	BBGE	
C[C@H](C(=O)NN)N1C[C@H](CCO)C(C)(C)C1	2212234544	WNWVQNFXNSIHRJ-BDAKNGLRSA-N	229.324	-0.295	50	10	BBGE	
C=C[C@]1(O)CCN(CC2(C(=O)NN)CCC2)C1	2216534973	UQOUTVAXALHSTN-LBPRGKRZSA-N	239.319	-0.231	50	10	BBGE	
Cc1ncc(B(O)O)c(O[C@H]2C[C@@H]3C[C@@H]3C2)n1	2216570084	SJFLZMXHTUSDQT-AYMMMOKOSA-N	234.064	-0.358	50	10	BBGE	
C[C@@H]1CNCC[C@H]1Oc1ncccc1B(O)O	2217168099	RXIYBPKJTOHFMX-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
OB(O)c1ccnc(NCCOCC(F)F)c1	2217176950	CJBWNHHGNVMRDC-UHFFFAOYSA-N	246.022	-0.545	50	10	BBGE	
C[C@H]1C[C@H](O)CCN1c1cc(B(O)O)ccn1	2217178449	WEPXKMLJMBNNIO-WCBMZHEXSA-N	236.080	-0.889	50	10	BBGE	
CC[C@H](O)[C@@H](C)Nc1cc(B(O)O)c(C)cn1	2217182362	COCHVOVUHLXOLT-SCZZXKLOSA-N	238.096	-0.359	50	10	BBGE	
C#CCN(CCC)c1cc(B(O)O)c(C)cn1	2217183238	KDMXLARAJKBTOB-UHFFFAOYSA-N	232.092	-0.081	50	10	BBGE	
Cc1cnc(N[C@@H]2CCCNC2)cc1B(O)O	2217184202	QUSJRPKYKBCTMB-SECBINFHSA-N	235.096	-0.766	50	10	BBGE	
OB(O)c1ccnc(N2CC=C[C@H]2CF)c1F	2217184368	OWQKMVVFVAYATC-ZETCQYMHSA-N	240.018	-0.385	50	10	BBGE	
CCC[C@H](N)CCOc1ncc(B(O)O)cn1	2217193931	YMCLNWDVBNYPIW-VIFPVBQESA-N	239.084	-0.947	50	10	BBGE	
C[C@@H]1COCC[C@@H]1Nc1ccc(B(O)O)cn1	2217196203	QODUQJPDBVWKMG-SCZZXKLOSA-N	236.080	-0.402	50	10	BBGE	
Cc1conc1CNc1ncccc1B(O)O	2217204729	OFAHUEDRKGFYQU-UHFFFAOYSA-N	233.036	-0.330	50	10	BBGE	
CC(C)(N)[C@@H]1CCN(c2ncccc2B(O)O)C1	2223627672	MUXGGIBUJLMSBZ-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
NC[C@H]1CCCC[C@@H]1Nc1ccc(B(O)O)cn1	2223630084	XXHXVLGINJVONF-KOLCDFICSA-N	249.123	-0.309	50	10	BBGE	
C[C@H]1C[C@H](C)N(c2cc(B(O)O)ccn2)CCN1	2223632353	IQPDQHWXHCTIOI-UWVGGRQHSA-N	249.123	-0.662	50	10	BBGE	
C[C@H](C#N)CN(c1cc(B(O)O)ccn1)C1CC1	2223635016	RDVVBDJTQYQIOY-SECBINFHSA-N	245.091	-0.110	50	10	BBGE	
C[C@H]1CN(C)CC[C@H]1Nc1ccc(B(O)O)cn1	2223643452	VXWKNJSMWPEDIK-GXSJLCMTSA-N	249.123	-0.487	50	10	BBGE	
Cc1nc([C@H](C)Nc2ncccc2B(O)O)n[nH]1	2223644772	NKUISIKFEHSZNQ-LURJTMIESA-N	247.067	-0.639	50	10	BBGE	
OB(O)c1ccc(N2C[C@H](O)CCC23CC3)nc1	2223650231	KDGZELHSWFZNJD-SNVBAGLBSA-N	248.091	-0.745	50	10	BBGE	
Cc1cnc(OC2[C@H]3CNC[C@H]2C3)cc1B(O)O	2223653631	SVQMBTMYPVASPM-RKDXNWHRSA-N	248.091	-0.943	50	10	BBGE	
OB(O)c1ccc(NC2C[C@H]3C=C[C@@H](C2)O3)nc1	2223671677	PFIAGDNFEOKOSN-FGWVZKOKSA-N	246.075	-0.341	50	10	BBGE	
N[C@H]1CCCC12CN(c1ncccc1B(O)O)C2	2223676215	YDWSGURKHCOMOY-JTQLQIEISA-N	247.107	-0.921	50	10	BBGE	
CC(C)(C)N(O)C(=O)[C@H]1C[C@@H]1B(O)O	2242400590	UFSIOBYHNKUKSY-WDSKDSINSA-N	201.031	-0.134	50	10	BBGE	
O=C(NCB(O)O)[C@H]1CC(F)(F)C12CCC2	2243139710	BSRSXWYGNCIZNK-ZCFIWIBFSA-N	233.023	-0.060	50	10	BBGE	
CC1(C)C[C@H]1NC(=O)c1csnc1B(O)O	2243378202	OMWFNOUUUMGXHY-ZCFIWIBFSA-N	240.093	-0.649	50	10	BBGE	
N#CCN(CC#N)C(=O)[C@H]1C[C@H](B(O)O)C1	2243392164	RVWRGLXVKOKBHZ-ZKCHVHJHSA-N	221.025	-0.885	50	10	BBGE	
C[C@@H]1CCC[C@H](NC(=O)C#CB(O)O)[C@@H]1C	2243398187	BOOHIXLTDXNJET-BBBLOLIVSA-N	223.081	-0.057	50	10	BBGE	
C=C(CS(=O)(=O)N[C@@H](C)CC(C)C)B(O)O	2243412827	ULPZQZUAKSYKAR-VIFPVBQESA-N	249.141	-0.091	50	10	BBGE	
NNC(=O)[C@H]1C[C@H]1COC1(C2CC2)COC1	2245001779	OVSYCEBLCAWVSZ-CBAPKCEASA-N	226.276	-0.192	50	10	BBGE	
COCC1(C(=O)NCB(O)O)CC(F)(F)C1	2246062801	GCXKBEHTJATYGU-UHFFFAOYSA-N	237.011	-0.824	50	10	BBGE	
C=CC(=O)NCc1ccc(C)c(B(O)O)c1	2246244218	AFSGNORQNBUXQP-UHFFFAOYSA-N	219.049	-0.523	50	10	BBGE	
CC[C@H](CC#N)NC(=O)c1ccc(B(O)O)o1	2247738872	VOVHIVIRFDTZSC-SSDOTTSWSA-N	236.036	-0.619	50	10	BBGE	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccoc2B(O)O)C1	2247739721	AEPGKXICSTVGIX-HTQZYQBOSA-N	237.064	-0.170	50	10	BBGE	
CNC1CCC(NC(=O)C2(B(O)O)CC2)CC1	2247750487	KFRGJNHUQYGRLE-UHFFFAOYSA-N	240.112	-0.360	50	10	BBGE	
C[C@@H]1CCN1C(=O)c1cccc(F)c1B(O)O	2247751820	CNFGZYXBJRJOJO-SSDOTTSWSA-N	237.039	-0.260	50	10	BBGE	
O=C(NCCc1cccnc1)C1(B(O)O)CC1	2247753669	JEVHAEIUNZWRRF-UHFFFAOYSA-N	234.064	-0.253	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@@H]2CCO[C@@H]2C1	2247789695	ADAXXWYANJSKSC-DOLQZWNJSA-N	239.080	-0.513	50	10	BBGE	
CCCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2B(O)O)C1	2247789851	BYDUPPCDLACDJT-GUBZILKMSA-N	240.112	-0.550	50	10	BBGE	
CN(C(=O)[C@@H]1C[C@H]1B(O)O)C1(CN)CCCC1	2247791421	MYGYEWJBSGFBEN-RKDXNWHRSA-N	240.112	-0.421	50	10	BBGE	
CCC(CC)(CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247796816	CYGAONXEPVNRLQ-RKDXNWHRSA-N	243.112	-0.236	50	10	BBGE	
C=CC[C@](C)(CO)CNC(=O)[C@H]1C[C@H]1B(O)O	2247797020	FQKZLDZIRHCPOP-NGZCFLSTSA-N	241.096	-0.460	50	10	BBGE	
Cc1ccnc(C(=O)N(O)C(C)C)c1B(O)O	2247800110	LFVFISIDINVTOT-UHFFFAOYSA-N	238.052	-0.690	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N(CCO)C1CCCC1	2247800969	VOAORMCKYNBUIK-VHSXEESVSA-N	241.096	-0.387	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1Cc2c[nH]nc2C1	2247809710	QRALYWLZIXTJEV-FKQCQYRASA-N	235.052	-0.495	50	10	BBGE	
C#C[C@@H](NC(=O)c1ccoc1B(O)O)C1CC1	2247847333	VUQPSGZWZQSTQM-SECBINFHSA-N	233.032	-0.899	50	10	BBGE	
CN(C[C@@H]1C[C@]12CC2(F)F)C(=O)C#CB(O)O	2247848770	QBSGDTFVZKBJRX-CBAPKCEASA-N	243.018	-0.495	50	10	BBGE	
CC(C)[C@@]1(O)CCCN(C(=O)C#CB(O)O)C1	2247849243	XPBCBTMTNMQCND-LLVKDONJSA-N	239.080	-0.989	50	10	BBGE	
O=C(Nc1cnoc1)c1ncccc1B(O)O	2247867976	BNMHDEDDARASTP-UHFFFAOYSA-N	232.992	-0.998	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1CC=C[C@@H]1CF	2247869654	WGPLCFZOCCUGPC-SSDOTTSWSA-N	239.011	-0.691	50	10	BBGE	
O=C(N1C[C@@H]2CC[C@H](C1)C2O)C1(B(O)O)CC1	2247877203	DDNMPHOITHSXEM-JVHMLUBASA-N	239.080	-0.777	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)O2)[C@@H]1C[C@@H]1B(O)O	2247886479	BWFPEKAENOSSKN-ZOZBQHSOSA-N	239.080	-0.325	50	10	BBGE	
Cc1cc(NC(=O)C[C@H](C)O)ccc1B(O)O	2248433018	DPNFNZZHMWWQOS-QMMMGPOBSA-N	237.064	-0.616	50	10	BBGE	
Cc1ccc(NC(=O)C[C@@H](C)O)cc1B(O)O	2248439997	MYKGCNRSPXGMRD-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
C[C@@H](CCC(=O)O)NC(=O)C1(B(O)O)CCC1	2248573399	DFIIVIBXJRFHGF-ZETCQYMHSA-N	243.068	-0.247	50	10	BBGE	
O=C(N1CCc2nnccc2C1)C1(B(O)O)CC1	2255486812	GKULEIMJFZNUCF-UHFFFAOYSA-N	247.063	-0.632	50	10	BBGE	
C[C@]1(NC(=O)c2cc(B(O)O)n[nH]2)C=CCCC1	2255551954	FATKGXVURWPQHY-NSHDSACASA-N	249.079	-0.682	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N(CC1CC1)C1CC1	2255669543	PRYJORWKVYJGIE-UHFFFAOYSA-N	249.075	-0.026	50	10	BBGE	
CC1(C)[C@H]2CN(C(=O)c3cc(B(O)O)c[nH]3)C[C@H]21	2255680152	KVCLBFBOQINHRR-DTORHVGOSA-N	248.091	-0.578	50	10	BBGE	
CN(C(=O)c1ncncc1B(O)O)[C@@H]1CC1(C)C	2255734312	YUZGZRQBCADOOY-MRVPVSSYSA-N	249.079	-0.973	50	10	BBGE	
C#CCOCC(=O)Nc1cc(B(O)O)ccc1C	2256673204	BKGDEIKEWDYRRK-UHFFFAOYSA-N	247.059	-0.737	50	10	BBGE	
O=C(Nc1cccc(O)c1)c1cocc1B(O)O	2258130860	MTPQZBPVUPWLBN-UHFFFAOYSA-N	247.015	-0.083	50	10	BBGE	
C#CC[C@H](NC(=O)c1cc(B(O)O)co1)C1CC1	2258135296	DNCYWUHFNZTYQC-JTQLQIEISA-N	247.059	-0.509	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H]1CN1C[C@@H]2C[C@H]1[C@@H]2CO	2298164934	QYSFJYWAYSROGK-QGKZMRNZSA-N	239.319	-0.685	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@H]1CN1C[C@@H]2CCO[C@@H]2C1	2298166157	XCHNNCUMROOGQN-UKKRHICBSA-N	239.319	-0.277	50	10	BBGE	
C[C@H]1CN(C)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1B(O)O	2298371330	ICYLYONVJTVCSR-JLIMGVALSA-N	240.112	-0.694	50	10	BBGE	
C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2B(O)O)CCO1	2298376208	NFRJFOBNNXPYDN-AXTSPUMRSA-N	241.096	-0.125	50	10	BBGE	
CCC[C@@H](CNC(=O)[C@@H]1C[C@H]1B(O)O)N(C)C	2298376365	UBYBSVPIHGPHDK-IVZWLZJFSA-N	242.128	-0.304	50	10	BBGE	
OB(O)[C@@H]1CCN(C[C@@H]2C[C@@H]3OCC[C@H]3O2)C1	2303101638	LYRSFTACDFSETM-YTWAJWBKSA-N	241.096	-0.519	50	10	BBGE	
CC[C@@](C)(CN1C[C@@H]2C[C@]2(CO)C1)C(=O)NN	2303424290	PZHMEDGBMDSFKF-ZMLRMANQSA-N	241.335	-0.293	50	10	BBGE	
N[C@@H]1CC[C@@H](Nc2cc(B(O)O)c(F)cn2)C1	2303834276	CMHOEDJLWOHJPU-RNFRBKRXSA-N	239.059	-0.808	50	10	BBGE	
CCN(C[C@H](C)O)c1ccc(B(O)O)cc1C#N	2317160887	JLFCDQUERSMYJN-VIFPVBQESA-N	248.091	-0.555	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N1[C@H]2COC[C@H]1C2	2317168415	UGIMQZPSINHGQM-GHMZBOCLSA-N	244.059	-0.784	50	10	BBGE	
CC(C)[C@@H](N)COc1ccc(B(O)O)cc1C#N	2317211022	HJPMUFHRUHSPEA-NSHDSACASA-N	248.091	-0.400	50	10	BBGE	
N[C@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@@H]12	38845980	BUDIODLBJBTUJD-FFWSUHOLSA-N	248.691	-0.194	50	10	BBGE	
O=C(CCl)NCC(=O)N1CCOCC1	41729359	PFAQZWRUACCBPL-UHFFFAOYSA-N	220.656	-0.800	50	10	BBGE	
COCCN(CCOC)[C@H](C)CC(=O)NN	58847907	HEQPTSGEOZKOBH-SECBINFHSA-N	233.312	-0.650	50	10	BBGE	
Cc1cn(C[C@@H](C)C(=O)NN)nc1[N+](=O)[O-]	69760524	HEMAEWQNEXTDNA-ZCFIWIBFSA-N	227.224	-0.274	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CCC(CO)CC1	82465797	DFWJPHALRCIMQN-QMMMGPOBSA-N	215.297	-0.541	50	10	BBGE	
C[C@@H](CN(CCO)C1CCCC1)C(=O)NN	82470094	XFNSATYBXQVYNU-VIFPVBQESA-N	229.324	-0.151	50	10	BBGE	
N#C[C@@H](Cl)CN1CCN2C(=O)NC[C@@H]2C1	139548132	RHUYFLFBFFVSRK-HTQZYQBOSA-N	228.683	-0.173	50	10	BBGE	
C#CCOC(=O)CC[C@@H]1NC(=O)OC1=O	139558202	UTZBUOWQDFTSHP-LURJTMIESA-N	211.173	-0.422	50	10	BBGE	
O=C(NCCCl)NCCOCCO	170284599	USBVMTWYGWFDLX-UHFFFAOYSA-N	210.661	-0.467	50	10	BBGE	
O=[Si](O)CCCOCCOCCO	195828364	FEVJLXRJGPSWQA-UHFFFAOYSA-N	208.286	-0.687	50	10	BBGE	
CCOC(=O)/C=C(\N)NNC(=O)CC	210528233	WEGZCHLXCGVFRD-AATRIKPKSA-N	201.226	-0.620	50	10	BBGE	
OB(O)c1cc(F)cc(Cn2ccnc2)c1	211636085	BQHOTIBPDXIESF-UHFFFAOYSA-N	220.012	-0.250	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC(CO)CC1	212111452	RZDLMMWKYLVVJB-SNVBAGLBSA-N	229.324	-0.151	50	10	BBGE	
CCCNC(=O)/C(C#N)=C\N(C)CCO	216975826	NCTIBKWKHCWRAL-HJWRWDBZSA-N	211.265	-0.156	50	10	BBGE	
CC[C@H](C(=O)NN)N(CCO)C1CCC1	228568838	LLTNRZBLMJEEHK-SECBINFHSA-N	215.297	-0.398	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@@H](CO)OC(C)(C)C1	228983518	MDAMDOPXTAUWBF-IUCAKERBSA-N	245.323	-0.773	50	10	BBGE	
C[C@]1(O)CCN(Cc2ccoc2C(=O)NN)C1	235761606	ZSFDSRSMQYLVQX-NSHDSACASA-N	239.275	-0.160	50	10	BBGE	
O[C@H]1CN(c2nnc(CCCl)o2)C[C@H]1O	236620073	WLBDMTQHLHHCNI-OLQVQODUSA-N	233.655	-0.607	50	10	BBGE	
C[C@]1(c2ccc3c(c2B(O)O)OCO3)CCCN1	258368810	MLQIOGANWVUAFX-GFCCVEGCSA-N	249.075	-0.306	50	10	BBGE	
CN1CCC[C@H](C[C@@H](N)C(=O)NN(C)C)C1	258945709	AOMPBQTWHIBZKR-NXEZZACHSA-N	228.340	-0.362	50	10	BBGE	
NNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C2)C1	300791903	USMKYESNSRMKAR-YUMQZZPRSA-N	211.265	-0.375	50	10	BBGE	
CC(=O)NNC(=O)CN1CC[C@H](O)C(C)(C)C1	301942731	SFDKPBZKQFKITG-VIFPVBQESA-N	243.307	-0.754	50	10	BBGE	
CCN1CCCN([C@H](C)C(=O)NN)CC1	307870707	PSKYYUYWBISKMK-SECBINFHSA-N	214.313	-0.608	50	10	BBGE	
COc1cnn(Cc2ccc(C)c(B(O)O)c2)c1	313805151	QQFWKAYMKOZNRE-UHFFFAOYSA-N	246.075	-0.072	50	10	BBGE	
CO[C@H](C)CN(C)[C@H](C)CC(=O)NN	389344732	ZKZRAOFXSPMSQO-HTQZYQBOSA-N	203.286	-0.278	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@](C)(CO)C1	394574344	UZUYTWBAQLBOGB-PSASIEDQSA-N	215.297	-0.541	50	10	BBGE	
O=CCCc1cc(B(O)O)ccc1C=O	396058366	OOQTVFFLNNBTBW-UHFFFAOYSA-N	206.006	-0.690	50	10	BBGE	
N[C@H](CCCCCCB(O)O)C(=O)O	397003057	PPYCAJLFHWFBRZ-SSDOTTSWSA-N	203.047	-0.178	50	10	BBGE	
CC[C@H](SCCC(=O)NC)C(=O)NN	399167171	FKMAKEHJOCBGRX-LURJTMIESA-N	219.310	-0.376	50	10	BBGE	
CC1(C(=O)NCc2ccc(B(O)O)s2)CC1	405003895	LUPJAMQNMVDMFV-UHFFFAOYSA-N	239.105	-0.156	50	10	BBGE	
Cc1ccc(NC(=O)[C@H]2CCOC2)cc1B(O)O	405015286	BSFONIFCBAWYCV-VIFPVBQESA-N	249.075	-0.350	50	10	BBGE	
O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@H]1C2	584934635	VQBOFRKXLDWTML-CABZTGNLSA-N	245.087	-0.009	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1CC[C@H]2COC[C@@H]2C1	690721273	FGEUZJFBHSGTPI-GARJFASQSA-N	241.335	-0.031	50	10	BBGE	
N#CC1(O)CCN(C(=O)c2cc[nH]n2)CC1	692085583	PMVJETFJEVDSAN-UHFFFAOYSA-N	220.232	-0.100	50	10	BBGE	
Cc1ccc(OCCC(=O)NCB(O)O)cc1	702031032	SKELRBKAJXKIKH-UHFFFAOYSA-N	237.064	-0.108	50	10	BBGE	
CN(N)C(=O)CCN1C(=O)NC(C)(C)C1=O	704705266	GJWYVRLUOWSQCF-UHFFFAOYSA-N	228.252	-0.961	50	10	BBGE	
CC[C@@H](C(=O)NN)N1CC(OCCOC)C1	707345605	FTZFMIBCSJYDEY-VIFPVBQESA-N	231.296	-0.898	50	10	BBGE	
CN(C)NC(=O)NC[C@]1(C(=O)O)CCCOC1	710375839	CXIKUQQQQRHSSY-SNVBAGLBSA-N	245.279	-0.356	50	10	BBGE	
C=C1CC(C)(C(=O)NNC(=O)c2cnn[nH]2)C1	865182494	WMOUOXJBPPSQJI-UHFFFAOYSA-N	235.247	-0.078	50	10	BBGE	
CC[C@@H]1[C@@H](C(=O)NN(C)C(N)=O)CCN1C	867131484	JVZPTNNTIVQVQQ-JGVFFNPUSA-N	228.296	-0.242	50	10	BBGE	
OB(O)c1ccn(C[C@@H]2CCC(F)(F)CO2)n1	888083909	YQYVRNPZBXGMSM-ZETCQYMHSA-N	246.022	-0.623	50	10	BBGE	
C[C@H](CO)N(C)NC(=O)c1cncc2nc[nH]c12	911443904	BFZKQITXXJTTDH-SSDOTTSWSA-N	249.274	-0.085	50	10	BBGE	
CNC(=O)NNC(=O)c1cccnc1NC	1136379713	JDDJTYHXNACQTL-UHFFFAOYSA-N	223.236	-0.303	50	10	BBGE	
Cc1nnc(CC(=O)NNC(=O)NC(C)C)o1	1136472812	QYZDBZUPAVWTBP-UHFFFAOYSA-N	241.251	-0.341	50	10	BBGE	
Cc1nnc(CC(=O)NNc2cccnn2)o1	1137760201	ZZBBUKUBXCIWTB-UHFFFAOYSA-N	234.219	-0.146	50	10	BBGE	
Cn1nncc1NNC(=O)c1ccc[nH]1	1183570866	IJURCQOTWIKOAL-UHFFFAOYSA-N	206.209	-0.100	50	10	BBGE	
O=C1C[C@@H](c2cnc3[nH]nnc3c2)C(=O)O1	1535661208	YTUIVNQUWTZWCX-YFKPBYRVSA-N	218.172	-0.090	50	10	BBGE	
Cc1cc(C)nc(NNC(=O)[C@H]2C[C@H]2C(N)=O)n1	1540033664	BLDJVGXQZPWYSJ-SFYZADRCSA-N	249.274	-0.342	50	10	BBGE	
Cn1nnc2c(=O)n(C/C=C\C#N)cnc21	1559426486	VCJRDOZKLMTMGL-IHWYPQMZSA-N	216.204	-0.395	50	10	BBGE	
O=C(Cc1ccccn1)NNC(=O)CC1COC1	1627555580	CXBCPQGWCRGOJW-UHFFFAOYSA-N	249.270	-0.192	50	10	BBGE	
Cn1cnc2cccc(C(=O)NNC(=O)CO)c21	1641423986	KKDBNJYGPKOFQK-UHFFFAOYSA-N	248.242	-0.673	50	10	BBGE	
O=C(CC1CC1)NNC(=O)[C@@]1(O)CCOC1	1641517462	IRXNHHSQLIIRFK-SNVBAGLBSA-N	228.248	-0.915	50	10	BBGE	
CO[C@H]1COC[C@H]1NC(=O)CBr	1880684930	UMBTZCPYRNBEQR-RITPCOANSA-N	238.081	-0.089	50	10	BBGE	
O=C(CBr)NCc1cc(CO)n[nH]1	1881744480	HWGHEHRJSBBGQL-UHFFFAOYSA-N	248.080	-0.087	50	10	BBGE	
CCS(=O)(=O)[C@@H]1CCN(C(=O)NN)C1	1885395858	DCGQVTHDCJXIBY-ZCFIWIBFSA-N	221.282	-0.921	50	10	BBGE	
CCOCC(=O)NN(C)S(=O)(=O)CC	1888598861	NNVWYYCCNXKIGM-UHFFFAOYSA-N	224.282	-0.664	50	10	BBGE	
NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2Cl)CCO1	1893453356	MMIBZPHWDGLZEO-BWZBUEFSSA-N	218.684	-0.200	50	10	BBGE	
O=C(Cl)/C=C/C(=O)NCc1nc[nH]n1	1893505709	ZDVXNCSYJGYPLI-OWOJBTEDSA-N	214.612	-0.258	50	10	BBGE	
COC[C@]12C[C@H]1CN(CCCC(=O)NN)C2	1894670533	ZJEKGYWBKTXQAA-GXSJLCMTSA-N	227.308	-0.275	50	10	BBGE	
O=c1ccc(B(O)O)cn1C[C@@H]1C[C@@H]1CF	1896772704	UQSOJNFZMXFPAB-SFYZADRCSA-N	225.028	-0.866	50	10	BBGE	
O=C(NCC=CB(O)O)[C@@H]1C[C@H]1C(F)(F)F	1897139477	QAQNJZSKFXUELI-PHDIDXHHSA-N	236.986	-0.131	50	10	BBGE	
CC(=O)NNC(=O)CN(C)CCC[C@H](C)O	1899892422	QJWCEBIQTAZJEM-QMMMGPOBSA-N	231.296	-0.754	50	10	BBGE	
C=CCN(OC)C(=O)c1cnsc1B(O)O	1900468510	XXRSWHRXBWNCNI-UHFFFAOYSA-N	242.065	-0.988	50	10	BBGE	
NC(=O)CCCCCN1CC[C@@H](B(O)O)C1	1902513243	QADWCSANYNDRNN-SECBINFHSA-N	228.101	-0.419	50	10	BBGE	
C[C@]1(B(O)O)CCN(Cc2ccncn2)C1	1902517504	ZKAWHYTVLCLJHP-JTQLQIEISA-N	221.069	-0.085	50	10	BBGE	
Cc1scc(C(=O)N(O)C(C)C)c1B(O)O	1902868852	SBMGFTIFPZMASW-UHFFFAOYSA-N	243.093	-0.024	50	10	BBGE	
OB(O)c1cc(O[C@@H]2CCOC2)ncc1F	1903010565	REDTVBLQLASWCW-ZCFIWIBFSA-N	227.000	-0.932	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H](F)C2)cc1B(O)O	1905033617	QZEQYJAKMGFKMP-OCAPTIKFSA-N	224.044	-0.018	50	10	BBGE	
CC[C@@]1(C)NC(=O)N(C[C@@H](C)C(=O)NN)C1=O	1912222533	WSODKCAONRHGFN-LHLIQPBNSA-N	242.279	-0.667	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1Cn1ccc(=O)cc1	1927912427	XDOUXBIODRFCNV-VXNVDRBHSA-N	207.233	-0.526	50	10	BBGE	
NNC(=O)COCCN1CC[C@H](CF)C1	1928179133	MVILNAKUZYDGEP-MRVPVSSYSA-N	219.260	-0.716	50	10	BBGE	
C=C(Br)CN(C)CC(=O)NN	1929643026	NVFSACJTLPOQAX-UHFFFAOYSA-N	222.086	-0.183	50	10	BBGE	
C[C@]1(CO)CCN1C[C@H]1C[C@@H]1C(=O)NN	1932967391	MQYLHCXIRMYRNL-KHQFGBGNSA-N	213.281	-0.931	50	10	BBGE	
COCCN1CCN(C[C@H](O)CCl)CC1	1933919663	YSYRZIHWKCVAOC-SNVBAGLBSA-N	236.743	-0.150	50	10	BBGE	
CCOCCCN(C)C[C@H]1C[C@@H]1C(=O)NN	1936095261	VJXKYWRASRRRMZ-ZJUUUORDSA-N	229.324	-0.029	50	10	BBGE	
C[C@@H](CN1CCn2nccc2C1)C(=O)NN	1936149434	NOXXYDZQJPVIBW-QMMMGPOBSA-N	223.280	-0.675	50	10	BBGE	
C[C@@H](CC(=O)NN)N1CC[C@@H]2COC[C@@H]2C1	1937347612	XOLMTRFVMYFRJZ-AEJSXWLSSA-N	227.308	-0.277	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1CC1(C(=O)NN)CC1	1938249294	SGJQMVNQSFWBCE-IUCAKERBSA-N	227.308	-0.398	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3OCCC[C@H]32)CC(=O)O1	1938612443	ZJHSISRXPWWRFI-DJLDLDEBSA-N	225.244	-0.061	50	10	BBGE	
CCn1nncc1CN(C)[C@@H](C)C(=O)NN	1939602627	WLBUJDYURGPMCR-ZETCQYMHSA-N	226.284	-0.892	50	10	BBGE	
CN1CC2(CCN(C[C@H]3C[C@H]3C(=O)NN)C2)C1	1941090957	SVAREGJZBPKUEL-NXEZZACHSA-N	238.335	-0.750	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1C[C@H]2CC[C@@H](O2)C1=O	1941091039	UHURDFCRYCRDCH-JQCXWYLXSA-N	239.275	-0.998	50	10	BBGE	
Cc1ncc(OC[C@@H]2CCOC2)cc1B(O)O	1944011085	LYANHOKHLYHOGV-SECBINFHSA-N	237.064	-0.515	50	10	BBGE	
COC[C@@H]1[C@H]2CCN(CCCC(=O)NN)C[C@H]21	1944580184	MTFOQQANJCIBQB-HBNTYKKESA-N	241.335	-0.029	50	10	BBGE	
C[C@@H](CC(N)=O)N(C)[C@@H](C(=O)NN)C(C)(C)C	1946076376	RVJFZFHQTCPMFC-CBAPKCEASA-N	244.339	-0.413	50	10	BBGE	
C[C@]12C[C@H]1C(=O)N(C[C@@H]1C[C@@H]1C(=O)NN)C2=O	1946988493	QGQDOIQEFGTGDA-PUCGJVDLSA-N	237.259	-0.993	50	10	BBGE	
CC(=O)NNC(=O)CN1[C@H]2CC[C@@H]1C[C@H](O)C2	1949279092	HISMVFPYFMKWOW-MYJAWHEDSA-N	241.291	-0.859	50	10	BBGE	
N#C[C@H](Cl)CN1C[C@@H](N)C[C@@H](O)C1	1954208834	ULAMVTCQKADSOD-BIIVOSGPSA-N	203.673	-0.489	50	10	BBGE	
CS(=O)(=O)CC1CN(C(=O)CCl)C1	1954433581	UCQDDVQWVNKPBD-UHFFFAOYSA-N	225.697	-0.272	50	10	BBGE	
CN(CC(=O)NC1CC1)C[C@@H](O)CCl	1956256234	LFJDHVWSMFFPGS-QMMMGPOBSA-N	220.700	-0.204	50	10	BBGE	
O[C@@H]1[C@H]2C[C@@H]([C@H]1O)N(CCOCCCl)C2	1958774629	JGFUARONAXCVRS-AXTSPUMRSA-N	235.711	-0.332	50	10	BBGE	
CC[C@@H](Cl)C(=O)N[C@@H]1CCC(=O)NC1=O	1958794761	RXAXBBSGCXZYDY-PHDIDXHHSA-N	232.667	-0.075	50	10	BBGE	
C[C@@H]1C[C@@H](CNC(=O)NN)CCS1(=O)=O	1959082464	CQRPWPPNZCKXQH-RQJHMYQMSA-N	235.309	-0.627	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCCC[C@@H](O)C1	1961134273	HEJDPWZSJOVEPF-RKDXNWHRSA-N	215.297	-0.398	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCO[C@H]2C[C@H]21	1961508246	IALFJZJOHVCVKD-MAUMQABQSA-N	213.281	-0.526	50	10	BBGE	
N#CC1=CCN(C(=O)C2(F)CNC2)CC1	1975094020	WNJQCRZNHYDCJV-UHFFFAOYSA-N	209.224	-0.020	50	10	BBGE	
COCCO[C@H]1CCN([C@@H](C)C(=O)NN)C1	1976096819	MIOQNSRKAGZMAC-IUCAKERBSA-N	231.296	-0.898	50	10	BBGE	
CC(C)[C@@H](O)CN(C)CC1(C(=O)NN)CC1	1979849469	OURZNCNDDBMCBC-VIFPVBQESA-N	229.324	-0.295	50	10	BBGE	
N#C[C@H](Cl)CN1CCn2c(CO)nnc2C1	1981095434	IZKHCOKMBVOKRD-ZETCQYMHSA-N	241.682	-0.283	50	10	BBGE	
CCON(C)c1nc(C)nc(C)c1B(O)O	1981468730	HNZAUHUTYKWAGE-UHFFFAOYSA-N	225.057	-0.839	50	10	BBGE	
CCO[C@@H]1CC[C@H](CNC(=O)C(=O)NN)C1	1982332708	FHTNMWPGHOWPPR-JGVFFNPUSA-N	229.280	-0.702	50	10	BBGE	
C=C[C@@H](C)n1cnc2c(B(O)O)ncnc21	1982862408	GFACAEZZHNBLOM-ZCFIWIBFSA-N	218.025	-0.747	50	10	BBGE	
OB(O)c1ncnc2c1ncn2CC=CCl	1982867273	ZQPAYUHGVXNXLI-UHFFFAOYSA-N	238.443	-0.741	50	10	BBGE	
CC[C@@H]1C[C@@H]1Cn1cccc(B(O)O)c1=O	1984101918	PHRYARVXNVMQKM-RKDXNWHRSA-N	221.065	-0.426	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C[C@@H]1C[C@H]2C[C@H]2CO1	1984449302	ZGHLCZOWGIRHTR-IMSYWVGJSA-N	227.308	-0.278	50	10	BBGE	
CCCN(C)C1CN([C@@H](C)CC(=O)NN)C1	1989653677	NSRIAMWKYQMXMN-VIFPVBQESA-N	228.340	-0.219	50	10	BBGE	
Cc1cnc(-n2cc(F)cn2)c(B(O)O)c1	1992089830	PHPNOGXLSPAFMJ-UHFFFAOYSA-N	221.000	-0.605	50	10	BBGE	
C[C@@H](C(=O)Nc1ncc(B(O)O)cn1)C1CC1	1996647305	KTTPRRIKPUFWGB-ZCFIWIBFSA-N	235.052	-0.859	50	10	BBGE	
CC(C)C[C@H](C(=O)NN)N1CCN(C)[C@@H]2C[C@H]21	2002909146	LVHSMOFHNSIVCP-GMTAPVOTSA-N	240.351	-0.221	50	10	BBGE	
C[C@@H]1CCN(Cc2nn(C)cc2C(=O)NN)C1	2003505691	GLIJINUNYKIQFY-MRVPVSSYSA-N	237.307	-0.135	50	10	BBGE	
C[C@@H]1CC(=O)N1Cc1c(C(=O)NN)cnn1C	2003505729	HBZMCTFQMMKXHZ-ZCFIWIBFSA-N	237.263	-0.856	50	10	BBGE	
C[C@@H](N(C)c1ncc(B(O)O)cn1)C1(C)CC1	2004920509	KQJVHSOCEZPANK-MRVPVSSYSA-N	235.096	-0.219	50	10	BBGE	
CC(C)(C)OCCOc1ccc(B(O)O)cn1	2004953640	XNDJEMRUSRGZNN-UHFFFAOYSA-N	239.080	-0.045	50	10	BBGE	
Cc1nc(N2C[C@H]3C[C@]3(C)C2)ncc1B(O)O	2004973286	RYMBZOZZNQJKHJ-LDYMZIIASA-N	233.080	-0.689	50	10	BBGE	
CON(c1ccc(B(O)O)c(C)n1)C1CCC1	2005017816	KPPIYIVNUJPIEH-UHFFFAOYSA-N	236.080	-0.010	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@@H]2[C@@H]3CCO[C@H]32)CC1	2007502876	GYDXBOULDHKUAV-IVZWLZJFSA-N	236.271	-0.102	50	10	BBGE	
Cc1ncnc(OC[C@H]2[C@@H](C)[C@H]2C)c1B(O)O	2011600136	MHNSSFIEFAQIRP-SRSLHRDFSA-N	236.080	-0.254	50	10	BBGE	
CCN1C[C@H]2C[C@H]1CN2[C@H](C)CCC(=O)NN	2014233201	ZMRDFICVWAMPLK-OUAUKWLOSA-N	240.351	-0.077	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N(C)C1COCCOC1	2014500600	ORTZSRVHMFPZMX-IUCAKERBSA-N	245.323	-0.652	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)[C@@H]1CC(=O)N(C)C1	2014822475	AQLCNYOLTBMCNZ-SCZZXKLOSA-N	242.323	-0.837	50	10	BBGE	
C[C@H](C(=O)NN)N(C)[C@H]1CC(=O)N2CCC[C@H]12	2014834992	VJASTAPQZWQGGH-HLTSFMKQSA-N	240.307	-0.940	50	10	BBGE	
O=C(Cc1cccc(O)c1)NCC=CB(O)O	2020069333	ZSTUOIHRKBYRQH-UHFFFAOYSA-N	235.048	-0.381	50	10	BBGE	
O=C(NCC#CB(O)O)C1C[C@H]2CCC[C@@H]2C1	2021115760	RLBLOSIUYIOHIM-NXEZZACHSA-N	235.092	-0.056	50	10	BBGE	
CCCCN(O)C(=O)c1ccccc1B(O)O	2022196708	QCWXTPQAUOFBAQ-UHFFFAOYSA-N	237.064	-0.002	50	10	BBGE	
CCCN(O)C(=O)c1cc(B(O)O)ccc1F	2022200346	RYBLQOSDYCSRAL-UHFFFAOYSA-N	241.027	-0.253	50	10	BBGE	
N[C@@]12C[C@@H]1CN(CC(=O)NNc1ccccn1)C2	2034067673	IKAVVVVTXRPYFH-BXKDBHETSA-N	247.302	-0.442	50	10	BBGE	
C[C@@H]1CCC[C@H]1C(=O)Nc1ncc(B(O)O)cn1	2040767004	LTLFJSOQUGOFQV-VXNVDRBHSA-N	249.079	-0.469	50	10	BBGE	
Cc1ncnc(N2C[C@@H](C)C[C@@H](C)C2)c1B(O)O	2052554627	XGZCLVLAYGGPBN-DTORHVGOSA-N	249.123	-0.053	50	10	BBGE	
COc1ccc(OC(F)F)c(C=O)c1B(O)O	2060330310	JLLCJMJLHWAKDD-UHFFFAOYSA-N	245.974	-0.211	50	10	BBGE	
O=c1c(B(O)O)cccn1C[C@H]1C[C@H]1C1CCC1	2079374245	IMGHTXXOILNLFV-MNOVXSKESA-N	247.103	-0.036	50	10	BBGE	
Cc1ccnc(OCC2(F)CC2)c1B(O)O	2211061706	GUYGMGIZVMQXBJ-UHFFFAOYSA-N	225.028	-0.049	50	10	BBGE	
NNC(=O)C1(CN2C[C@H](O)[C@H](F)C2)CCC1	2212263689	WVNQVNMOZVNSMX-SFYZADRCSA-N	231.271	-0.839	50	10	BBGE	
C[C@@H](O)C1(Nc2cc(B(O)O)ccn2)CC1	2212601790	SYJAALAXMMPGIR-SSDOTTSWSA-N	222.053	-0.913	50	10	BBGE	
C[C@@H]1COC[C@@H]1Nc1ccc(B(O)O)cn1	2212603426	FZPNSKGBLQHWTJ-APPZFPTMSA-N	222.053	-0.792	50	10	BBGE	
C[C@@]1(Nc2cc(B(O)O)ccn2)CCOC1	2212604806	ZDHVHIGHJMDNAD-SNVBAGLBSA-N	222.053	-0.648	50	10	BBGE	
CO[C@H](C)[C@H](C)Nc1ncccc1B(O)O	2212604950	VFBVOXZRAFRCTE-JGVFFNPUSA-N	224.069	-0.403	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CS[C@@H]2CCNC2)O1	2212627811	NAFJCRAWHLWFCD-YIZRAAEISA-N	245.348	-0.381	50	10	BBGE	
C[C@@H]1C[C@H](O)CN1Cc1cccc(B(O)O)c1	2214600984	WWTQEGUERMKFSZ-SKDRFNHKSA-N	235.092	-0.679	50	10	BBGE	
C[C@@H]1COC[C@@H]1N(C)C[C@@H]1CC[C@H]1C(=O)NN	2215773939	VAQGDTNYAQFKGX-YTWAJWBKSA-N	241.335	-0.031	50	10	BBGE	
CN(C[C@@H]1CC[C@@H]1C(=O)NN)[C@H]1CCC[C@H]1O	2215776723	OPBMCGUQPPLJCW-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
C[C@]1(COC[C@H]2C[C@@H]2C(=O)NN)COCCO1	2216069721	ACEMIOVDRNBFQG-WCABBAIRSA-N	244.291	-0.566	50	10	BBGE	
C=C[C@@H](CC)OCCn1cc(C(=O)NN)nn1	2216922912	KUBHWEHTJRAHGN-QMMMGPOBSA-N	239.279	-0.137	50	10	BBGE	
CN(C[C@H]1CCCO1)c1cc(B(O)O)ccn1	2217175963	PWALIXBYUQHVSB-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
CO[C@H]1CC[C@H]1Nc1cc(B(O)O)c(C)cn1	2217183429	LGPAODGLOMOKNF-ZJUUUORDSA-N	236.080	-0.341	50	10	BBGE	
CC[C@@H](O)[C@@H](C)Nc1nccc(B(O)O)c1F	2217185216	ZKLBWOSBQRYIBL-HTRCEHHLSA-N	242.059	-0.528	50	10	BBGE	
C[C@H]1CNC[C@H](Oc2cc(B(O)O)ccn2)C1	2217186733	OJRDUCMSRDVWEV-PSASIEDQSA-N	236.080	-0.862	50	10	BBGE	
NC[C@@H]1CC[C@@H]1Oc1nccc(B(O)O)c1F	2217189706	IBWCCDWEPYJEIO-XPUUQOCRSA-N	240.043	-0.983	50	10	BBGE	
OB(O)c1cnc(N[C@]23CCCC[C@H]2C3)nc1	2217196615	TVHCIPRZELGFJT-KWQFWETISA-N	233.080	-0.099	50	10	BBGE	
CN(Cc1cncn1C)c1cc(B(O)O)ccn1	2223624551	ABGNCDGQRCNJQO-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
CCN[C@@H]1CCN(c2cc(B(O)O)c(C)cn2)C1	2223653417	RHMFNZBBBLWVDJ-SNVBAGLBSA-N	249.123	-0.742	50	10	BBGE	
OB(O)c1ccc(N2CC[C@H](O)C3(CC3)C2)nc1	2223668648	ZKISLEUOLYNCPX-JTQLQIEISA-N	248.091	-0.887	50	10	BBGE	
Cc1noc(C)c1CNc1cc(B(O)O)ccn1	2223669153	GSHIKUPJUPLOPZ-UHFFFAOYSA-N	247.063	-0.022	50	10	BBGE	
Cc1cccnc1CNc1ncc(B(O)O)cn1	2223679711	TUMDDLCPCXZHNB-UHFFFAOYSA-N	244.063	-0.528	50	10	BBGE	
CC(C)N(O)C(=O)C1CC(B(O)O)C1	2241480454	KRPSUPOLCZAGLG-UHFFFAOYSA-N	201.031	-0.134	50	10	BBGE	
C[C@H]1C[C@@]1(C)NC(=O)c1ccoc1B(O)O	2243362103	MDONVJLGOCTHEO-QUBYGPBYSA-N	223.037	-0.512	50	10	BBGE	
C[C@@H](CNC(=O)C#CB(O)O)OC(C)(C)C	2243362973	ZEOOAYHJLARWMP-QMMMGPOBSA-N	227.069	-0.678	50	10	BBGE	
O=C(N1CCC[C@@H]1CCO)C1(B(O)O)CC1	2243364045	QATNDMACVRDKAU-MRVPVSSYSA-N	227.069	-0.633	50	10	BBGE	
O=C(N[C@H]1CC1(F)F)c1occc1B(O)O	2243364444	XENXPUVXCZNVBL-YFKPBYRVSA-N	230.963	-0.903	50	10	BBGE	
O=C(N=c1cccn[nH]1)[C@H]1C[C@H](B(O)O)C1	2243392715	WKGWWEPJPMONGT-LJGSYFOKSA-N	221.025	-0.910	50	10	BBGE	
CCC(CC)NC(=O)c1nscc1B(O)O	2243409438	HZNALCPRFWORDJ-UHFFFAOYSA-N	242.109	-0.259	50	10	BBGE	
CN(O)C(=O)c1cc(B(O)O)c(F)cc1Cl	2244183370	YEGLSSVNZNOIND-UHFFFAOYSA-N	247.418	-0.380	50	10	BBGE	
CNCC(C)(C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O	2245155813	RTOMTYJTBKQRHS-YUMQZZPRSA-N	228.101	-0.694	50	10	BBGE	
C#CCOCCONC(=O)C1(B(O)O)CCC1	2247738111	MSDKFUYKGIXVCJ-UHFFFAOYSA-N	241.052	-0.919	50	10	BBGE	
CCc1ccnc(CNC(=O)C#CB(O)O)c1	2247739930	CZHHBECIBSOCRJ-UHFFFAOYSA-N	232.048	-0.724	50	10	BBGE	
O=C(NC1C[C@H]2C[C@@H]2C1)c1ccoc1B(O)O	2247746843	FGJQCKLLXVYFFR-RNFRBKRXSA-N	235.048	-0.512	50	10	BBGE	
NC[C@@H]1C[C@H](F)CN1C(=O)C1(B(O)O)CCC1	2247751030	RUCGBCSTYYQCCK-YUMQZZPRSA-N	244.075	-0.719	50	10	BBGE	
CCCONC(=O)c1cccc(B(O)O)c1F	2247752139	JIIRNPFUEYAFMU-UHFFFAOYSA-N	241.027	-0.423	50	10	BBGE	
C#C[C@@H](C)NC(=O)c1cc(F)ccc1B(O)O	2247757474	JSBSPZUVZLMKPA-SSDOTTSWSA-N	235.023	-0.743	50	10	BBGE	
O=C(N[C@@H]1CO[C@H]2C[C@@H]1C2)C1(B(O)O)CCC1	2247758309	UWHVKDNZHDWGOX-HRDYMLBCSA-N	239.080	-0.323	50	10	BBGE	
C=CCCCCNC(=O)c1c[nH]nc1B(O)O	2247781290	JSHNTWDRZLZLQQ-UHFFFAOYSA-N	237.068	-0.824	50	10	BBGE	
C[C@@H](NC(=O)c1n[nH]cc1B(O)O)C1CCC1	2247781458	LDAROFYKLJVDSS-ZCFIWIBFSA-N	237.068	-0.992	50	10	BBGE	
Cc1ocnc1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247792002	PSZLKKAVXCEPJH-JGVFFNPUSA-N	238.052	-0.495	50	10	BBGE	
C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1CNC(=O)C#CB(O)O	2247850002	IPCRUBWIZVPRTC-ZNSHCXBVSA-N	235.092	-0.200	50	10	BBGE	
CCC(C)(C)CNC(=O)c1cc(B(O)O)c[nH]1	2247850597	QIDBSCQENAFHPU-UHFFFAOYSA-N	238.096	-0.140	50	10	BBGE	
Cc1cc(B(O)O)ccc1C(=O)N(C)CCF	2247859323	LZGZERBSSOKCRH-UHFFFAOYSA-N	239.055	-0.284	50	10	BBGE	
C=CC1(NC(=O)c2occc2B(O)O)CCC1	2247872396	RCUVNCPIHVDPAS-UHFFFAOYSA-N	235.048	-0.202	50	10	BBGE	
C[C@@]12CN(C(=O)C3(B(O)O)CC3)C[C@]1(CO)C2	2247878533	LEZIDMWDERUODA-ZJUUUORDSA-N	239.080	-0.776	50	10	BBGE	
CC(C)(O)[C@H]1CCN1C(=O)C1(B(O)O)CCC1	2247878623	LYADHDZNZRDPHA-MRVPVSSYSA-N	241.096	-0.245	50	10	BBGE	
C[C@@H]1CNC[C@@H]1CNC(=O)[C@H]1C[C@@H](B(O)O)C1	2247906599	YSXBTCOZOCPTRS-KYXWUPHJSA-N	240.112	-0.789	50	10	BBGE	
C[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1O	2248028235	HBHVAEGLYKNKBU-HZGVNTEJSA-N	235.048	-0.790	50	10	BBGE	
CN(C(=O)[C@H]1C[C@@H]1B(O)O)C1CC(C(=O)O)C1	2248592500	CJFQXZDFMMKSCF-GHNGIAPOSA-N	241.052	-0.829	50	10	BBGE	
O=C(NCCCC1(O)CC1)[C@H]1C[C@H](B(O)O)C1	2249262103	UJIJTOBKNIUNGB-KYZUINATSA-N	241.096	-0.339	50	10	BBGE	
O=C(N[C@@H]1CCOC1)N1CCC(B(O)O)CC1	2249344018	VNJXPILEJBAQBH-SECBINFHSA-N	242.084	-0.576	50	10	BBGE	
C=C1CC(N(C)C(=O)c2cc(B(O)O)co2)C1	2249416093	MXGKWMVBFANFCT-UHFFFAOYSA-N	235.048	-0.250	50	10	BBGE	
Cc1ncc(B(O)O)cc1OCC12CC(CO1)C2	2254028482	GATYGVLOABWCJF-UHFFFAOYSA-N	249.075	-0.372	50	10	BBGE	
C#C[C@@H](C)N(C)C(=O)c1cc(F)ccc1B(O)O	2255499762	DRWAGAVQEMKFKI-MRVPVSSYSA-N	249.050	-0.401	50	10	BBGE	
O=C(NCCCC1CC1)c1ncncc1B(O)O	2255520511	LHPKZAUVKOQZMY-UHFFFAOYSA-N	249.079	-0.924	50	10	BBGE	
O=C(c1n[nH]cc1B(O)O)N1C[C@@H]2CCCC[C@@H]21	2255551376	WVKLDJSRDXALIJ-CBAPKCEASA-N	249.079	-0.896	50	10	BBGE	
C=C[C@H](C1CC1)N(C)C(=O)c1cc(B(O)O)n[nH]1	2255551970	FIGXXCJAZLRTLP-SECBINFHSA-N	249.079	-0.874	50	10	BBGE	
C=C[C@H](C)CNC(=O)c1nccc(C)c1B(O)O	2255779836	MIIRSPKKQOHTAJ-QMMMGPOBSA-N	248.091	-0.378	50	10	BBGE	
C[C@@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2298368496	IIEHLAFLLZVLIL-KYXWUPHJSA-N	241.096	-0.531	50	10	BBGE	
CN(C)C[C@H]1C=CCN1C(=O)[C@@H]1C[C@H]1B(O)O	2298374871	AZKFPXNNSOEHKO-OPRDCNLKSA-N	238.096	-0.822	50	10	BBGE	
CO[C@@H](C)CNc1ccc(C=O)c(B(O)O)c1	2301421398	UFZAHRIWYUPHPT-QMMMGPOBSA-N	237.064	-0.374	50	10	BBGE	
C[C@H](CCCC(=O)NN)N(C)[C@H](C)CC(N)=O	2302021556	BFWJFUDNAVHGCQ-RKDXNWHRSA-N	244.339	-0.269	50	10	BBGE	
CN1CCOC[C@H]1CN1CC[C@](C)(B(O)O)C1	2303153742	FVZZYDIYMGRDLS-MNOVXSKESA-N	242.128	-0.744	50	10	BBGE	
CN1C[C@@H](CN2CC[C@](C)(B(O)O)C2)CC1=O	2303160323	UUTHSWDMDICTAT-ONGXEEELSA-N	240.112	-0.597	50	10	BBGE	
C[C@H](Oc1cc(B(O)O)c(F)cn1)[C@H]1C[C@@H]1N	2303851925	HMHABHXILMSIAB-MYINAIGISA-N	240.043	-0.985	50	10	BBGE	
C[C@H](O)[C@@H]1C[C@@H]1Nc1ccc(B(O)O)cc1C#N	2317162340	RLNSYXXSBNGWFD-JWYUURKGSA-N	246.075	-0.581	50	10	BBGE	
O=Cc1ccc(N[C@@H]2CC[C@@H](O)C2)cc1B(O)O	2317309352	RUPDYAIZHJLKEL-MWLCHTKSSA-N	249.075	-0.496	50	10	BBGE	
Cc1cccc(COc2ncncc2B(O)O)n1	2319125921	JACBUTIBZODQII-UHFFFAOYSA-N	245.047	-0.561	50	10	BBGE	
CCCC[C@@H](CC)C(=O)NNC(=O)C(N)=O	5793032	KTYGWHJPEBNRPY-SSDOTTSWSA-N	229.280	-0.165	50	10	BBGE	
Cn1nnnc1SCCCC(=O)NN	82471823	OOVCVQMHVBKIHN-UHFFFAOYSA-N	216.270	-0.928	50	10	BBGE	
CCN(CC(C)(C)O)[C@@H](C)CC(=O)NN	86275182	YPZBVEFLVBMYHN-QMMMGPOBSA-N	217.313	-0.152	50	10	BBGE	
C[C@H](Cn1nnc(-c2ccccc2)n1)C(=O)NN	104108697	ZLQUFXGLLZQFOR-MRVPVSSYSA-N	246.274	-0.034	50	10	BBGE	
O=C(O)C[C@@H](CO)CNC(=O)CCCl	170310683	YEEFMLDDRDIGCR-ZCFIWIBFSA-N	223.656	-0.185	50	10	BBGE	
OB(O)c1ccc(F)cc1OC[C@H]1CCOC1	211701935	MLJMISFVRWHENV-QMMMGPOBSA-N	240.039	-0.079	50	10	BBGE	
NNC(=O)CCN(CCCO)C1CCC1	228568275	WIFAGECXAFZYQC-UHFFFAOYSA-N	215.297	-0.397	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@@H]1CCCN(C)C1	232419342	VUGQEIGQYULHHG-ZJUUUORDSA-N	244.339	-0.983	50	10	BBGE	
C[C@H](Sc1nccnc1N)C(=O)NN	235538979	LBXQRZXRVYQYHU-BYPYZUCNSA-N	213.266	-0.471	50	10	BBGE	
COC(=O)CSC[C@H]1NC(=O)OC1=O	238322386	MPLUXSVGPGLKEC-SCSAIBSYSA-N	219.218	-0.472	50	10	BBGE	
CN1C(=O)[C@@H](Cl)[C@H](CO)N(C)C1=O	238329857	LMAMRPNZEJSAAT-WHFBIAKZSA-N	206.629	-0.522	50	10	BBGE	
C[C@H](CC(=O)NN)N1CC[C@H]2CC[C@@H](C1)N2C	252647162	TWRXNNRGUVUCIX-MXWKQRLJSA-N	240.351	-0.077	50	10	BBGE	
CC(=NN)c1cc(C(=O)NN)c(O)nc1C	254488450	SNKQZJUGGYGDER-UHFFFAOYSA-N	223.236	-0.618	50	10	BBGE	
NNC(=O)Cc1ccc2oc(=O)[nH]c2c1	259020607	PSFAEWOLDVUNCH-UHFFFAOYSA-N	207.189	-0.347	50	10	BBGE	
O=C1C[C@@]2(CC(=O)N3CCC[C@H]32)C(=O)O1	300947457	FCRGMYQWEDLTKY-QUBYGPBYSA-N	209.201	-0.159	50	10	BBGE	
Nc1csc2c(N)cc(B(O)O)cc12	307630962	XGMNEGVFBYGNRS-UHFFFAOYSA-N	208.051	-0.255	50	10	BBGE	
O[C@@H]1[C@H](Br)[C@@H]2O[C@@H]2[C@@H]2O[C@@H]12	307709324	LVCQLWWLDHWMCB-GAYJSANJSA-N	207.023	-0.341	50	10	BBGE	
CC(C)(C)CC(=O)NN[C@@H]1CNC[C@H]1O	378764593	CKDXTNHJQJBDEC-HTQZYQBOSA-N	215.297	-0.624	50	10	BBGE	
COCC(=O)NN=Cc1cccnc1N	379824589	VYQNKDRFEMDNOG-UHFFFAOYSA-N	208.221	-0.240	50	10	BBGE	
COC(=O)c1cnc(C2CC2)c(B(O)O)c1	381227647	IVWQXCKCMMWODY-UHFFFAOYSA-N	221.021	-0.575	50	10	BBGE	
N#Cc1cccn(CCCCC(=O)NN)c1=O	383407418	RYTWYHZNHHCAJS-UHFFFAOYSA-N	234.259	-0.120	50	10	BBGE	
C[C@H]1[C@@H](O)CCCN1C[C@@H](C)C(=O)NN	384897997	MWWNWZFUQMDWPS-VGMNWLOBSA-N	215.297	-0.542	50	10	BBGE	
CN(CCOCCO)CCC(C)(C)C(=O)NN	395614801	NNJRXRUDKLLLLO-UHFFFAOYSA-N	247.339	-0.667	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1	398836693	JAFFAUDTUMHYBM-UKKRHICBSA-N	241.335	-0.152	50	10	BBGE	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)n1	405010836	WOELFYHKSWEOSJ-BQBZGAKWSA-N	220.037	-0.644	50	10	BBGE	
C[C@H]1COCC[C@H]1NCc1ccccc1B(O)O	585037823	KZYCUAVJDDNYCH-GXFFZTMASA-N	249.119	-0.119	50	10	BBGE	
C[C@@H]1COC[C@@H](C)N1Cc1ccc(B(O)O)cc1	688928055	SXRPIQOYGGIAAB-GHMZBOCLSA-N	249.119	-0.024	50	10	BBGE	
C[C@H](CN(C)C[C@]12COC[C@@H]1C2)C(=O)NN	689285151	CZONCRCKCSBSIB-WCABBAIRSA-N	227.308	-0.419	50	10	BBGE	
Cn1c(=O)ccn(C[C@H](O)CCl)c1=O	697860233	RQCRZPINNDMYTI-ZCFIWIBFSA-N	218.640	-0.853	50	10	BBGE	
NNC(=O)CCCN1C(=O)[C@H]2CC[C@@H](C2)C1=O	700094602	OGQSROSBUTVOEY-YUMQZZPRSA-N	239.275	-0.458	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](CCF)C1	700559972	GGPBXAHOUQWDON-ZETCQYMHSA-N	205.233	-0.963	50	10	BBGE	
CC(C)CN1C[C@@H](C(=O)NNC(N)=O)CC1=O	700840825	IEYHGVCKGZUWBO-ZETCQYMHSA-N	242.279	-0.810	50	10	BBGE	
N#Cc1ccccc1OCC(=O)NCB(O)O	702022259	UBEODEPGNKAHFJ-UHFFFAOYSA-N	234.020	-0.935	50	10	BBGE	
NC[C@H](O)CC(=O)N1CCSSCC1	703355172	JHUJXGRPBKKKFG-SSDOTTSWSA-N	236.362	-0.080	50	10	BBGE	
CN(Cc1nn[nH]n1)S(=O)(=O)CCl	706819447	QVMSPQBGBXFYBI-UHFFFAOYSA-N	225.661	-0.842	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)C1(COC)CC1	706942785	FAEPVMMJSYZMHZ-QMMMGPOBSA-N	231.296	-0.898	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC[C@]2(CCOC2)C1	707277615	CIIRDHLEZOKNOD-WPRPVWTQSA-N	213.281	-0.523	50	10	BBGE	
CN1CCC[C@H]2[C@H]1CCN2CCC(=O)NN	720448690	YEGBUKUYZZFLSC-ZJUUUORDSA-N	226.324	-0.465	50	10	BBGE	
CO[C@@H]1CC[C@H]1N(C)[C@H](C)C(=O)NN	724129354	WDDRSIJVZDTLCM-BWZBUEFSSA-N	201.270	-0.526	50	10	BBGE	
C[C@@H]1CCN1Cc1nsc(C(=O)NN)n1	724322208	GDLJXNLMUMHGBJ-RXMQYKEDSA-N	227.293	-0.264	50	10	BBGE	
C[C@H]1C[C@H](NC(=O)C(=O)NN)CCS1	725667326	MBMZGPWJQWBLCC-NTSWFWBYSA-N	217.294	-0.623	50	10	BBGE	
COCCC(=O)N(N)C1CCOCC1	757131254	GFWXJZQUHUBZSF-UHFFFAOYSA-N	202.254	-0.096	50	10	BBGE	
CC#CCCCC(=O)NNC(=O)c1cn(C)nn1	855187177	OWAZDZZPIUHGHU-UHFFFAOYSA-N	249.274	-0.230	50	10	BBGE	
Cc1cc(NC(=O)NNC(=O)CCCN)no1	857763943	BKXHLTGRUXSZBC-UHFFFAOYSA-N	241.251	-0.125	50	10	BBGE	
CC(C)NC(=O)C(=O)NNC(=O)C12CC(C1)C2	1329731580	MCHOKULMYLBYPS-UHFFFAOYSA-N	239.275	-0.542	50	10	BBGE	
C[C@@H](O)CN(C)NC(=O)CCCCC(N)=O	1332628818	BDRWSKZYMOOKPX-MRVPVSSYSA-N	231.296	-0.624	50	10	BBGE	
CNC(=O)NNC(=O)c1cc(C=O)oc1C	1625506412	CUGOHROATWWEER-UHFFFAOYSA-N	225.204	-0.026	50	10	BBGE	
O=C(Cn1cnnn1)NNc1ccc(F)cn1	1637421654	FAKCJSQAWCOQAK-UHFFFAOYSA-N	237.198	-0.650	50	10	BBGE	
Cc1ccc(C#N)cc1C(=O)NNC(=O)CO	1638526838	ROZHXZCOEJXGDA-UHFFFAOYSA-N	233.227	-0.380	50	10	BBGE	
N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]1Br	1877359846	OPFKTDNGNIOHGV-JKUQZMGJSA-N	237.097	-0.794	50	10	BBGE	
O=C(NCB(O)O)[C@@H](F)C(F)(F)F	1882212532	PYFMYTLDCIPVPF-UWTATZPHSA-N	202.900	-0.985	50	10	BBGE	
C[C@H](Cl)C(=O)NC1([C@@H](O)CO)CC1	1882988610	LYLSKNHHDGPEIL-WDSKDSINSA-N	207.657	-0.384	50	10	BBGE	
O=C(O)Cc1ccc(Cl)cc1B(O)O	1887065314	XKZUIHLQNPKNRI-UHFFFAOYSA-N	214.413	-0.353	50	10	BBGE	
CO[C@@H](C)CN1CC[C@](C)(B(O)O)C1	1891493407	UZCIICHDWDGHFK-IUCAKERBSA-N	201.075	-0.040	50	10	BBGE	
C[C@H](O)C[C@H](C)N1CC[C@@H](B(O)O)C1	1891517451	OQQCMVZPTCNHKH-XHNCKOQMSA-N	201.075	-0.306	50	10	BBGE	
Cn1nnc(CNCCC#CCCl)n1	1892475335	ZMCHPQXYVGJTRE-UHFFFAOYSA-N	213.672	-0.068	50	10	BBGE	
CC1(S(=O)(=O)NCC=CB(O)O)CC1	1892925021	SDCRUGKPINMKAC-UHFFFAOYSA-N	219.071	-0.974	50	10	BBGE	
C[C@@H](O)CCCN(C)CCOCC(=O)NN	1899926707	JMCPXSWVEZBCIW-SECBINFHSA-N	233.312	-0.914	50	10	BBGE	
CN(CC(C)(C)C(F)F)C(=O)C#CB(O)O	1900156450	JVJWYSLQWRGDJZ-UHFFFAOYSA-N	233.023	-0.249	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1[C@H]2CC[C@@H]1C[C@@H]2CO	1907250168	RKRBCVFXMIVRIL-ZDCRXTMVSA-N	241.335	-0.010	50	10	BBGE	
C[C@H]1CN(C[C@@H](C)C(=O)NN)C(=O)N1C	1912281432	ZZQYYASNKRKXDU-RQJHMYQMSA-N	214.269	-0.632	50	10	BBGE	
COCC1CN(C[C@H]2CC[C@@H](C(=O)NN)O2)C1	1916281777	RIQIAFNTDHEHAC-ZJUUUORDSA-N	243.307	-0.898	50	10	BBGE	
O=C(NCB(O)O)[C@@H]1C[C@@H]2CCCC[C@H]21	1928146389	FKCCARYMHYGOKH-DJLDLDEBSA-N	211.070	-0.059	50	10	BBGE	
O=S(=O)(CCl)N[C@H]1COC[C@H]1CO	1928735177	IEQMHACCCXHNQK-RITPCOANSA-N	229.685	-0.891	50	10	BBGE	
CN1C[C@@H](Cl)[C@H](NCCS(C)(=O)=O)C1	1928756238	SESXFMGOLLNPAZ-HTQZYQBOSA-N	240.756	-0.458	50	10	BBGE	
C[C@@H](CN1CC[C@@H](O)[C@H](C)C1)C(=O)NN	1929954263	GZUUZTVHLYFEGA-HRDYMLBCSA-N	215.297	-0.685	50	10	BBGE	
CO[C@H](C(=O)NNC(N)=S)C(C)C	1930599305	SGAYVKMQPSNWMX-YFKPBYRVSA-N	205.283	-0.478	50	10	BBGE	
CNS(=O)(=O)CCN(C)C(=O)CCCl	1931195663	OBFPZDVMINKZNZ-UHFFFAOYSA-N	242.728	-0.377	50	10	BBGE	
O=S1(=O)C[C@H](Cl)[C@H](C2CNC2)C1	1934444658	UWIZTVIZZUZCEQ-BQBZGAKWSA-N	209.698	-0.142	50	10	BBGE	
C[C@@H]1OCCN(CC(F)(F)C(=O)NN)[C@@H]1C	1935942464	QQFVADBJVHHZCI-RQJHMYQMSA-N	237.250	-0.279	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CCCCS1(=O)=O	1936087065	YDNVKNLBVUIOPW-HTQZYQBOSA-N	247.320	-0.962	50	10	BBGE	
CC1(C)CN(C[C@H]2C[C@H]2C(=O)NN)C(=O)O1	1936095673	ZRJFCICOBFWDDG-RNFRBKRXSA-N	227.264	-0.157	50	10	BBGE	
NNC(=O)C(=O)NCC1CC[C@H]2C[C@@H]2CC1	1936604261	HCRCTTNTNICRPS-IUCAKERBSA-N	225.292	-0.081	50	10	BBGE	
CN(C)S(=O)(=O)N1CCC[C@H](N=C=O)CC1	1937280224	XLFQCJSYJMILEI-VIFPVBQESA-N	247.320	-0.017	50	10	BBGE	
CCCN(CCCO)CC1(C(=O)NN)CC1	1938234058	UQUBXVBCZIUIBN-UHFFFAOYSA-N	229.324	-0.149	50	10	BBGE	
C[C@@H](C(=O)NN)N1CC2(CC[C@@H]1CO)CC2	1939208087	RSKSVILPIFLWKQ-DTWKUNHWSA-N	227.308	-0.398	50	10	BBGE	
CN(Cc1nccn1C)C[C@@H]1C[C@H]1C(=O)NN	1941081729	XYRPZDJDXMQKSJ-DTWKUNHWSA-N	237.307	-0.522	50	10	BBGE	
COC[C@@H]1CCCN(C[C@H]2C[C@H]2C(=O)NN)C1	1941085928	GHLDRKKHGIMXFD-GMTAPVOTSA-N	241.335	-0.029	50	10	BBGE	
CON(C)C1CN(CCCCCC(=O)NN)C1	1941107419	QKQNRORBAAECCC-UHFFFAOYSA-N	244.339	-0.286	50	10	BBGE	
CC[C@@H]1COC[C@H]1N(C)CCOCC(=O)NN	1941772227	GFQLLLMCHNLHRK-NXEZZACHSA-N	245.323	-0.650	50	10	BBGE	
CCN(Cc1ccc(OC)c(B(O)O)c1)OC	1942620248	XJXPXNDBJIAXLR-UHFFFAOYSA-N	239.080	-0.242	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@](COC)(OC)C1	1946472653	CITYXWQWLYNKCV-KOLCDFICSA-N	245.323	-0.508	50	10	BBGE	
O=S(=O)(CBr)N[C@H]1CC[C@@H]1O	1951339430	JSDYMEGZSOQTLR-WHFBIAKZSA-N	244.110	-0.219	50	10	BBGE	
COC[C@]1([C@H](N)[C@H](O)C#N)CCCCO1	1953064058	OJNIHHNSZTZPQG-BBBLOLIVSA-N	214.265	-0.216	50	10	BBGE	
NNC(=O)CN1C[C@H](C(F)F)CC1=O	1957254494	WHYIDXIZRUEAID-SCSAIBSYSA-N	207.180	-0.910	50	10	BBGE	
CCOC[C@H](NC(=O)NN(C)C)C(=O)O	1957855704	HBKOHZKFJHEIFV-LURJTMIESA-N	219.241	-0.748	50	10	BBGE	
C[C@@H](CN(C)Cc1ccon1)C(=O)NN	1958699002	GFPQBFOPFNCMKN-ZETCQYMHSA-N	212.253	-0.268	50	10	BBGE	
CC(F)(F)COc1ncncc1B(O)O	1961694997	XHPZAVAFTUKEJB-UHFFFAOYSA-N	217.968	-0.810	50	10	BBGE	
COc1cnn(-c2nc(B(O)O)cs2)c1	1961723152	KYPRMYPSHDYSCV-UHFFFAOYSA-N	225.038	-0.983	50	10	BBGE	
C[C@H](COC(F)(F)F)NC(=O)C(=O)NN	1961920371	YLKBPAIVZAQXHF-GSVOUGTGSA-N	229.158	-0.983	50	10	BBGE	
N#C[C@@H](Cl)CN1CC(N2CCNCC2)C1	1962267543	LAOJMSULJBUUKR-SECBINFHSA-N	228.727	-0.293	50	10	BBGE	
C[C@@]1(CNC(=O)C(=O)NN)C[C@@H]1C(F)(F)F	1976082307	SLCOFVXNINAQQI-FFWSUHOLSA-N	239.197	-0.319	50	10	BBGE	
C[C@H](C(=O)NN)N(C)C1(CO)CC(C)(C)C1	1978672014	WBOFWLZWXLJLFA-MRVPVSSYSA-N	229.324	-0.152	50	10	BBGE	
CC(C)[C@@H](C(=O)NN)N(C)Cc1cnsn1	1979644261	YHWMHDFOOIFYOE-QMMMGPOBSA-N	243.336	-0.016	50	10	BBGE	
NNC(=O)CN1CCC[C@@H](C(F)(F)F)C1=O	1981072888	OUQPMDLEPVAFDM-RXMQYKEDSA-N	239.197	-0.223	50	10	BBGE	
Cc1ccnc(N2C[C@H]3C[C@@H]3C2)c1B(O)O	1981413673	JKJBNGIDTXMGPI-RKDXNWHRSA-N	218.065	-0.474	50	10	BBGE	
C[C@@H]1C[C@@H](N(C)c2nc(B(O)O)cs2)CO1	1981472108	NSFULWSOIRFZED-RNFRBKRXSA-N	242.109	-0.564	50	10	BBGE	
CO[C@@H](C)COCc1cc(C(=O)NN)no1	1986048739	HRMWUCPOLTVPQZ-LURJTMIESA-N	229.236	-0.170	50	10	BBGE	
COC12CC(C1)N([C@H](C)[C@@H](C)C(=O)NN)C2	1986831766	UKVOXAHPYUSKDW-BFWVQVCMSA-N	227.308	-0.136	50	10	BBGE	
CCCCN(C(=O)C(=O)NN)[C@@H]1CCOC1	1991764094	WMGDHZWTZHNTKQ-MRVPVSSYSA-N	229.280	-0.606	50	10	BBGE	
C=C(CN(CC)C1CCN(C)CC1)B(O)O	1992152425	FBOKMFFZFOMEPR-UHFFFAOYSA-N	226.129	-0.029	50	10	BBGE	
C[C@@H](C(=O)NN)N(C)C[C@@]1(C)CSCCO1	1993432673	WOJWCSQOTLYKQJ-WPRPVWTQSA-N	247.364	-0.181	50	10	BBGE	
C[C@]1(C(=O)Nc2ccc(B(O)O)cn2)C[C@@H]1F	1996646010	QTBMRVTZCGCBKX-XVKPBYJWSA-N	238.027	-0.552	50	10	BBGE	
CN(C(=O)N[C@@H](CB(O)O)C(=O)O)C1CCC1	1998131358	UOUYIBIGLPCSQN-ZETCQYMHSA-N	244.056	-0.894	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)CC[C@H]1CO	2000984195	NUHLNZATGYTLBC-UWVGGRQHSA-N	241.335	-0.293	50	10	BBGE	
O=C1CN(c2cnc3nccn3c2)CC(=O)O1	2002357982	FRZXMQJYRNOAIA-UHFFFAOYSA-N	232.199	-0.381	50	10	BBGE	
N#CCCN(CCOCC(=O)NN)CC1CC1	2003766070	SPZZIMJIZRXIRS-UHFFFAOYSA-N	240.307	-0.381	50	10	BBGE	
CN(C[C@@H]1[C@H]2CCC(F)(F)[C@H]21)C(=O)C(=O)NN	2004123403	DKVDEMUGLKETQW-FSDSQADBSA-N	247.245	-0.274	50	10	BBGE	
Cc1ccnc(N2CC[C@H]3C[C@H]3C2)c1B(O)O	2004918330	KJANYVSEALITLH-UWVGGRQHSA-N	232.092	-0.084	50	10	BBGE	
Cc1cc(OC[C@H]2CCOC2)ncc1B(O)O	2004930137	RIHDLMVELKSAEI-VIFPVBQESA-N	237.064	-0.515	50	10	BBGE	
CO[C@@H](COc1ccc(B(O)O)cn1)C(C)C	2004952722	SOILMSHLHSRCLF-JTQLQIEISA-N	239.080	-0.189	50	10	BBGE	
Cc1cc(N2C[C@H]3CC[C@H]3C2)ncc1B(O)O	2005015778	FOQHURSJJLJMJT-AOOOYVTPSA-N	232.092	-0.084	50	10	BBGE	
NNC(=O)C(=O)N[C@H]1COC2(CCCCC2)C1	2009151844	ZORQZDNRJFXDFB-MRVPVSSYSA-N	241.291	-0.416	50	10	BBGE	
Cc1nccn1CCOC[C@@H]1C[C@@H]1C(=O)NN	2012464801	BHVJPQYNEHXCFM-UWVGGRQHSA-N	238.291	-0.166	50	10	BBGE	
CC(C)(CN1CCC[C@H]1C1(O)CC1)C(=O)NN	2013930980	WSYNYALXYQSAKN-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
COC[C@H]1CN(CC(=O)NNC(C)=O)C[C@H]1C	2019206911	ARDRBOPOKVWBBC-PSASIEDQSA-N	243.307	-0.632	50	10	BBGE	
COC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC=C1B(O)O	2020055467	BDZFRPVOVWNUAD-NRPADANISA-N	239.080	-0.514	50	10	BBGE	
CC1(C)C[C@H](CC(=O)NCC=CB(O)O)CO1	2020058772	IHZIUGCWDPEQEY-VIFPVBQESA-N	241.096	-0.124	50	10	BBGE	
Cc1ncnc(N2CC[C@@H](C(C)C)C2)c1B(O)O	2052553348	GNROOASYKNWDRD-SNVBAGLBSA-N	249.123	-0.053	50	10	BBGE	
COc1nc(N2CCC23CCC3)ncc1B(O)O	2052628199	XBZPAQZYRTVBOD-UHFFFAOYSA-N	249.079	-0.702	50	10	BBGE	
N#Cc1cc(B(O)O)cc(Cl)c1C=O	2060094277	QACVCSWRPUZJQA-UHFFFAOYSA-N	209.397	-0.296	50	10	BBGE	
COc1c(C=O)ccc([N+](=O)[O-])c1B(O)O	2060272119	VKMCNMBHWQUBMN-UHFFFAOYSA-N	224.965	-0.904	50	10	BBGE	
COc1ccc(C(=O)NCC#CB(O)O)c(O)c1	2077492472	NKSGEIDNDZTVTP-UHFFFAOYSA-N	249.031	-0.854	50	10	BBGE	
Cc1nc(C)n(Cc2ccc(B(O)O)s2)n1	2211073176	XHKZQLWNJJVSGN-UHFFFAOYSA-N	237.093	-0.315	50	10	BBGE	
OB(O)c1ccc(NCc2ncc[nH]2)nc1	2212615389	OGGBHZBBOQNMSG-UHFFFAOYSA-N	218.025	-0.903	50	10	BBGE	
CC(=O)NNC(=O)CN(C)[C@@H](CO)CC1CC1	2213794738	JURKXJWPTIIHLM-SNVBAGLBSA-N	243.307	-0.754	50	10	BBGE	
CN1C[C@@H]2C[C@H]1CN2C[C@H]1CC[C@H]1C(=O)NN	2215776237	LPNFSDVWNXEEAZ-VPOLOUISSA-N	238.335	-0.609	50	10	BBGE	
OB(O)c1cnc(S[C@H]2C3C[C@@H]4C2[C@@H]4C3)nc1	2216433245	KIGUIGXRTGWTOM-ZLQIGIHNSA-N	248.116	-0.097	50	10	BBGE	
CCO[C@@H]1CCN(c2cc(B(O)O)ccn2)C1	2217175797	NJKOHAAUSSDNEP-SNVBAGLBSA-N	236.080	-0.623	50	10	BBGE	
Cc1cnc(N(C)C[C@H](C)C#N)cc1B(O)O	2217183236	KDLDKOORIXIMKV-MRVPVSSYSA-N	233.080	-0.334	50	10	BBGE	
CO[C@]1(C)C[C@H]1Nc1nccc(B(O)O)c1F	2217183876	LLXXDCDNYGJKKL-GMSGAONNSA-N	240.043	-0.510	50	10	BBGE	
C[C@@H](N)CC(C)(C)Oc1ccc(B(O)O)cn1	2217188534	PNOSWXKZKNIRMS-MRVPVSSYSA-N	238.096	-0.344	50	10	BBGE	
C[C@]1(CCO)CCN1c1cc(B(O)O)ccn1	2217200511	LAKWSWZNNVJYCM-LLVKDONJSA-N	236.080	-0.887	50	10	BBGE	
CC[C@H](CNc1cc(B(O)O)ccn1)COC	2217201335	DCQQHFIESAPSNO-SECBINFHSA-N	238.096	-0.154	50	10	BBGE	
CN(Cc1ncccn1)C[C@H]1CC[C@@H]1C(=O)NN	2221561076	JWCAQDUFUULFDO-ZJUUUORDSA-N	249.318	-0.076	50	10	BBGE	
OB(O)c1ccnc(N(CC2CC2)C2COC2)c1	2223634301	IWSMVSWBIAYIGE-UHFFFAOYSA-N	248.091	-0.623	50	10	BBGE	
Cc1c[nH]c(=NCCCNC2CC2)cc1B(O)O	2223641643	VFIOGSRAXCAXRV-UHFFFAOYSA-N	249.123	-0.954	50	10	BBGE	
N[C@@H]1CCCCC[C@@H]1Nc1ncccc1B(O)O	2223651373	BVOJQFGQOREYNI-MNOVXSKESA-N	249.123	-0.167	50	10	BBGE	
OB(O)c1cccnc1N[C@@H]1COC2(CCC2)C1	2223671597	OICTZRWOXIVGLP-VIFPVBQESA-N	248.091	-0.115	50	10	BBGE	
C=C(Cl)CNC(=O)[C@H]1C[C@@H]1B(O)O	2241495025	GBUAWYKDFFZKKE-WDSKDSINSA-N	203.434	-0.282	50	10	BBGE	
C#CCOCc1cnc(C(=O)NN)s1	2241638755	DLBAYDPUDWFOLR-UHFFFAOYSA-N	211.246	-0.104	50	10	BBGE	
O=C(NCCC(F)F)c1coc(B(O)O)c1	2243348088	SXSUNCYUICPMCB-UHFFFAOYSA-N	232.979	-0.656	50	10	BBGE	
C[C@H]1CN(C(=O)c2cc(B(O)O)c[nH]2)[C@@H]1C	2243356635	LAIDHGFZNUBTDO-NKWVEPMBSA-N	222.053	-0.825	50	10	BBGE	
O=C(N[C@@H]1C=CCC1)c1occc1B(O)O	2243358893	LRQMPAGRVOKVQT-SSDOTTSWSA-N	221.021	-0.592	50	10	BBGE	
C[C@H]1C[C@@H](N)CCN1C(=O)C1(B(O)O)CC1	2243364464	XKPRKIRPJQTVRM-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
O=C(NCC[C@H]1CCNC1)C1(B(O)O)CC1	2243366260	ZMXFCPMDZSAGBJ-MRVPVSSYSA-N	226.085	-0.891	50	10	BBGE	
C[C@]1(CN)CCCN1C(=O)[C@H]1C[C@H]1B(O)O	2243391175	HJCLWECQNLDVOO-QXFUBDJGSA-N	226.085	-0.811	50	10	BBGE	
Cc1cc(C(=O)NOC(C)C)sc1B(O)O	2243409287	FNNAWHIAFGKACS-UHFFFAOYSA-N	243.093	-0.194	50	10	BBGE	
CN(C(=O)C1(B(O)O)CCC1)[C@H]1CC[C@@H]1N	2243409400	HFQXIKDTOMPSSC-YUMQZZPRSA-N	226.085	-0.668	50	10	BBGE	
C[C@@H](CCN)Oc1cc(B(O)O)c(Cl)cn1	2245913549	UBSHWQDQJPMIMC-LURJTMIESA-N	244.487	-0.469	50	10	BBGE	
C#CCN(CC=C)C(=O)c1coc(B(O)O)c1	2247723614	USEHRRZKLJLHMR-UHFFFAOYSA-N	233.032	-0.779	50	10	BBGE	
C[C@H]1CN(C)C[C@H]1NC(=O)C1(B(O)O)CCC1	2247737872	LFXCGEZTEBBRFO-DTWKUNHWSA-N	240.112	-0.550	50	10	BBGE	
NC[C@]12CC[C@@H]1CN(C(=O)C1(B(O)O)CC1)C2	2247750622	MCIISOCWRGQAAV-SCZZXKLOSA-N	238.096	-0.809	50	10	BBGE	
CC1(C)CC[C@H](O)CN1C(=O)C1(B(O)O)CC1	2247750943	QHPVIYCKHCMIBC-QMMMGPOBSA-N	241.096	-0.245	50	10	BBGE	
C#CCCNC(=O)c1ccc(B(O)O)c(F)c1	2247760749	MVVNZAGZWQHCLZ-UHFFFAOYSA-N	235.023	-0.741	50	10	BBGE	
Cc1cc(C(=O)N2CC[C@H](F)C2)oc1B(O)O	2247788336	DEQCIJNOKJSONE-ZETCQYMHSA-N	241.027	-0.548	50	10	BBGE	
CC1(C)C[C@@H](NC(=O)[C@H]2C[C@@H](B(O)O)C2)[C@@H]1O	2247791831	OZPHMHHTDRAGOU-XAVMHZPKSA-N	241.096	-0.485	50	10	BBGE	
CC(C)(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1B(O)O	2247797247	HOZLHXHCVIABDL-VGMNWLOBSA-N	243.112	-0.237	50	10	BBGE	
C[C@]1(CCNC(=O)C2CC(B(O)O)C2)CCN1	2247800186	LZSRBSGSBMDOLM-AMUVOQDHSA-N	240.112	-0.502	50	10	BBGE	
CC(C)C[C@H](CO)CNC(=O)[C@@H]1C[C@H]1B(O)O	2247803243	ADGRLWYLLGVTOC-IVZWLZJFSA-N	243.112	-0.380	50	10	BBGE	
C[C@@H](CCCO)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2247804953	IXMDZGYADFLIKJ-GUBZILKMSA-N	243.112	-0.236	50	10	BBGE	
O=C(NC12COC(CF)(C1)C2)[C@H]1C[C@@H]1B(O)O	2247805304	AZMYPUCIXMCERM-PYMHSVQESA-N	243.043	-0.763	50	10	BBGE	
CC[C@@H](C)[C@H](CO)NC(=O)C1CC(B(O)O)C1	2247809107	NVRSSFTWSOPRJY-WOOKNIGNSA-N	243.112	-0.237	50	10	BBGE	
O=C(C1CC(B(O)O)C1)N1C[C@@H]2COC[C@H]2C1	2247809764	RFVRURLSOURWMY-DSAQSWLYSA-N	239.080	-0.656	50	10	BBGE	
CCCC1CN(C(=O)c2ccc(B(O)O)o2)C1	2247848926	SDLZKVDPDHCTLP-UHFFFAOYSA-N	237.064	-0.169	50	10	BBGE	
CN(CC(C)(F)F)C(=O)c1cc(B(O)O)c[nH]1	2247848958	SQMALQJJCFSZLL-UHFFFAOYSA-N	246.022	-0.578	50	10	BBGE	
Cc1cc(C(=O)N[C@@H]2C[C@@H]2F)ccc1B(O)O	2247852883	BIXNGMFQDFAVDP-VHSXEESVSA-N	237.039	-0.485	50	10	BBGE	
C[C@@H]1COCCN(C(=O)C2(B(O)O)CCC2)C1	2247873370	AUFAUZYURIPSBH-VIFPVBQESA-N	241.096	-0.122	50	10	BBGE	
N[C@H]1CN(C(=O)C2(B(O)O)CCC2)CC12CC2	2247873570	DRURVRBAGMVKPA-QMMMGPOBSA-N	238.096	-0.667	50	10	BBGE	
CC1CC(NC(=O)c2ccncc2B(O)O)C1	2247873616	KNSUIFNPQPCENJ-UHFFFAOYSA-N	234.064	-0.710	50	10	BBGE	
C[C@@H]1[C@H](NC(=O)c2occc2B(O)O)C1(F)F	2247877746	JTLVHMICRJNORO-FBCQKBJTSA-N	244.990	-0.657	50	10	BBGE	
C[C@H](C#N)CN(C)C(=O)c1occc1B(O)O	2247878231	ILYSPIHNNMDROC-SSDOTTSWSA-N	236.036	-0.809	50	10	BBGE	
C[C@@H]1OC2(CNC(=O)[C@H]3C[C@@H]3B(O)O)CC1C2	2247887487	OQXDGPSDYCXXAB-BBCGNMDUSA-N	239.080	-0.467	50	10	BBGE	
COC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1B(O)O	2247896122	XGXQTXLJICHNTH-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CC(C)N1CCN(C(=O)[C@H]2C[C@@H]2B(O)O)CC1	2247896665	IWWQUMUTIHSJHQ-UWVGGRQHSA-N	240.112	-0.598	50	10	BBGE	
O=C([C@H]1C[C@H](B(O)O)C1)N1C[C@H]2CCN[C@H]2C1	2247896813	KNXBNZQZSKCHBW-KYXWUPHJSA-N	238.096	-0.940	50	10	BBGE	
O=C(N[C@H]1CN2CC[C@H]1C2)[C@H]1C[C@@H](B(O)O)C1	2247904578	QGXXFOAPALSLTN-QEYWKRMJSA-N	238.096	-0.940	50	10	BBGE	
O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B(O)O)C1	2248574050	NGVLIGOVIUDCMR-XLPZGREQSA-N	241.052	-0.828	50	10	BBGE	
O=C(NCc1ccc(B(O)O)cc1F)C(F)F	2248967181	ULNWHXHVQKTZEB-UHFFFAOYSA-N	246.981	-0.613	50	10	BBGE	
C[C@@H](NC(=O)C1CC(B(O)O)C1)[C@@H]1CCCN1	2249940905	QCZYLTYRJVAAMG-WOOKNIGNSA-N	240.112	-0.504	50	10	BBGE	
O=C(N[C@@H]1CC[C@H]1C1CC1)c1ccc(B(O)O)o1	2255463526	KCHQNPZLUIMTFD-DTWKUNHWSA-N	249.075	-0.122	50	10	BBGE	
O=C(c1cc(B(O)O)c[nH]1)N1CC[C@@H]2CCC[C@H]21	2255472139	CQWXZZIVPQNNOU-GZMMTYOYSA-N	248.091	-0.291	50	10	BBGE	
C[C@H]1CC[C@H]1N(C)C(=O)c1ccc(B(O)O)cn1	2255516260	JRUWARHRZSUTTO-GZMMTYOYSA-N	248.091	-0.368	50	10	BBGE	
C#C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)c[nH]1	2255673618	RHQMADBROVSOSS-SNVBAGLBSA-N	246.075	-0.678	50	10	BBGE	
O=C(Nc1cnoc1)c1cc(B(O)O)ccc1O	2256017928	VVAJNKSHWYJSKN-UHFFFAOYSA-N	248.003	-0.688	50	10	BBGE	
C[C@@H]1C[C@H]1N(CCO)C[C@@H]1CC[C@@H]1C(=O)NN	2298165234	LYELXMVYIIMXBE-VPOLOUISSA-N	241.335	-0.295	50	10	BBGE	
O=C(N[C@H]1CC[C@@H]2C[C@H]1CO2)[C@H]1C[C@H]1B(O)O	2298369558	YJLDWBCHSKIPMW-LRPJSKTQSA-N	239.080	-0.467	50	10	BBGE	
O=C(N[C@H]1C[C@H]2CC[C@H]1NC2)[C@@H]1C[C@H]1B(O)O	2298376204	NEBTUVZEVZDCNF-IGORNWKESA-N	238.096	-0.894	50	10	BBGE	
C[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1B(O)O	2298377052	BYYUEDISVXQRSU-UEWQFTGXSA-N	239.080	-0.779	50	10	BBGE	
C[C@H]1C[C@@]2(CCN(C(=O)C#CB(O)O)C2)CO1	2299101013	CPMNPOMGHHPBAX-GXSJLCMTSA-N	237.064	-0.971	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1C[C@H]2CC[C@H]1C[C@@H]2O	2300201463	PMARXNZXAXPIGY-VLEAKVRGSA-N	241.335	-0.010	50	10	BBGE	
CCN(CC)C(=O)[C@H](C)N1CC[C@H](B(O)O)C1	2303099582	PMLHPIHCLSGHIT-UWVGGRQHSA-N	242.128	-0.208	50	10	BBGE	
C[C@]1(B(O)O)CCN(C[C@H]2COCCCO2)C1	2303156800	FHAYTIAJYVDEDF-QWRGUYRKSA-N	243.112	-0.269	50	10	BBGE	
Cc1ccc(NC(=O)CCO)c(F)c1B(O)O	2307575574	NKJOJRIDMPXOAB-UHFFFAOYSA-N	241.027	-0.865	50	10	BBGE	
Cc1cnc(N[C@H]2C[C@@H]3CO[C@H]2C3)cc1B(O)O	2313109970	KFDHTWXEIOCWSH-LSJOCFKGSA-N	248.091	-0.341	50	10	BBGE	
C[C@@H]1NCC[C@H]1Nc1ccc(B(O)O)cc1C#N	2317160349	CKDPFTQLOGCZCZ-GZMMTYOYSA-N	245.091	-0.600	50	10	BBGE	
O=S(=O)(CCCCl)NCc1nnn[nH]1	44976937	FWMWXJRBVGDSKU-UHFFFAOYSA-N	239.688	-0.752	50	10	BBGE	
NNC(=O)C(=O)NCCc1ccsc1	49188627	VXJLVEUPAHTFJD-UHFFFAOYSA-N	213.262	-0.603	50	10	BBGE	
COCCCn1c(C)ccc(C(=O)NN)c1=O	82670344	ZDBFMYADEURHQI-UHFFFAOYSA-N	239.275	-0.203	50	10	BBGE	
C[C@H](CCl)C(=O)NC[C@](C)(O)CO	85254658	RZVUEXCIFRMFCM-SVRRBLITSA-N	209.673	-0.279	50	10	BBGE	
C[C@H]1CC(=O)N(C[C@H]2CC[C@H](C(=O)NN)O2)C1	110603394	INQOEHWRTFTIKY-DJLDLDEBSA-N	241.291	-0.608	50	10	BBGE	
CC(=O)[C@H](O)[C@@]1(C)NC(C)=C(C#N)C1=O	136673763	FZIDXOKSBPDUTE-WCBMZHEXSA-N	208.217	-0.335	50	10	BBGE	
N#Cc1ccc(S(=O)(=O)N=C=O)cn1	157716340	CLSDXURPJSAOFV-UHFFFAOYSA-N	209.186	-0.022	50	10	BBGE	
COCOc1ccc(B(O)O)cc1C#N	203806337	MSYDIOWABQPISB-UHFFFAOYSA-N	206.994	-0.779	50	10	BBGE	
CCC[C@H](C(=O)NN)N(CC)CC(=O)NCC	211807806	BGPRAQGMOSRBNO-SECBINFHSA-N	244.339	-0.397	50	10	BBGE	
COC(=O)[C@H](Cl)[C@H](OC)C(=O)OC	216554241	REFKUTPMDILWCM-UHNVWZDZSA-N	210.613	-0.045	50	10	BBGE	
COC[C@@H](C)N(C)[C@@H](C(=O)NN)C(C)C	223097412	TWDOHAZBXJWMSN-RKDXNWHRSA-N	217.313	-0.032	50	10	BBGE	
COC[C@H]1CCCN([C@@H](C)C(=O)NN)C1	234739205	KBKHJVNAZALROZ-IUCAKERBSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)c1cc(C(F)(F)F)nc(O)n1	238558571	HAVGDNOAVRETNP-UHFFFAOYSA-N	222.126	-0.196	50	10	BBGE	
O=Cc1c(Br)cncc1B(O)O	238635887	MMJKWOZOBWHJFF-UHFFFAOYSA-N	229.826	-0.664	50	10	BBGE	
N#C[C@@H](O)c1ccccc1N1CC(=O)NCC1=O	260643899	PNOKXCOHCPSVOL-SNVBAGLBSA-N	245.238	-0.294	50	10	BBGE	
C[C@@H](Cl)C(=O)N1CC[C@@](O)(C(N)=O)C1	306780635	DGABVQCKEGJJRO-XRGYYRRGSA-N	220.656	-0.938	50	10	BBGE	
C[C@@H]1NC(=O)[C@@H]2CNC(=O)[C@@H]2[C@@H]1Br	306895552	NBTUSYZSWWLMGP-BGPJRJDNSA-N	247.092	-0.370	50	10	BBGE	
O=C(O)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21	308747289	GQOKHYKFPZJCCC-VFUOTHLCSA-N	212.157	-0.826	50	10	BBGE	
COCOCc1cc(C#N)ccc1B(O)O	309132988	IHHPYPJLIMKEIX-UHFFFAOYSA-N	221.021	-0.641	50	10	BBGE	
O=C=N[C@@H]1CCCN1S(=O)(=O)c1ncc[nH]1	309231763	IQGASNRUDAGYOC-ZETCQYMHSA-N	242.260	-0.144	50	10	BBGE	
CC(=O)NNC(=O)CN1C[C@H](C)[C@@](C)(CN)C1	310297329	PEKNRCXNGUDEGS-KWQFWETISA-N	242.323	-0.930	50	10	BBGE	
CCOC(=O)C(=O)NN=C1CC(C(=O)O)C1	378867624	FQWSJTJKUVBVPN-UHFFFAOYSA-N	228.204	-0.484	50	10	BBGE	
CC(C)C(=O)NNC(=O)/C=C\C(=O)O	379340697	XLYVXTQMCIKEQP-ARJAWSKDSA-N	200.194	-0.569	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CC(C)(OC)C1	382608794	XDKKUZVWUHNKFG-MRVPVSSYSA-N	215.297	-0.134	50	10	BBGE	
CCC[C@@H](C(=O)NN)N1C[C@H]2[C@H](N(C)C)[C@H]2C1	384765440	OMPPENHSIASVRF-ZRUFSTJUSA-N	240.351	-0.363	50	10	BBGE	
COCOCc1cc(OC)ccc1B(O)O	390259946	YRHVXOQYTNDDOC-UHFFFAOYSA-N	226.037	-0.505	50	10	BBGE	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(CCC(=O)NN)[C@H]31	394367396	UBRJKKMSAJAHPJ-WPCZNGEBSA-N	239.319	-0.278	50	10	BBGE	
CN(C)C1CN([C@@H](C(=O)NN)c2ccccc2)C1	394414050	ATOCDMCBSFMQLU-GFCCVEGCSA-N	248.330	-0.037	50	10	BBGE	
NNC(=O)CCCN1CCCCS1(=O)=O	395617181	QYNUFOGDTNEEOB-UHFFFAOYSA-N	235.309	-0.818	50	10	BBGE	
CC(C)(CCSC[C@@H](O)CO)C(=O)NN	395700489	HNMNLMJJABUWJV-ZETCQYMHSA-N	236.337	-0.521	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)Cc1ccns1	404490194	HRPRULTWWCFRDO-QMMMGPOBSA-N	244.320	-0.420	50	10	BBGE	
O=C(NCc1cccc(B(O)O)c1)c1cn[nH]c1	404932015	FJLPPKIDANRKPJ-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
C[C@H]1C[C@H]1C(=O)Nc1ccnc(B(O)O)c1	405021570	FQSMFLPGZNSQIR-POYBYMJQSA-N	220.037	-0.644	50	10	BBGE	
NC(=S)NNC(=O)c1ncccc1O	606281524	MGALEBLFGSZHDH-UHFFFAOYSA-N	212.234	-0.735	50	10	BBGE	
CO[C@H]1CCC[C@@H]1N(C)C(=O)C(=O)NN	687452337	HCAMWKFWYLHKOW-BQBZGAKWSA-N	215.253	-0.998	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@@H]1CCC[C@H]1O	689263391	UHSJVTNGOUFOJN-VHSXEESVSA-N	243.307	-0.754	50	10	BBGE	
COC[C@H](CN(C)CCCCC(=O)NN)OC	691284314	BHENWMYSVQAJKI-JTQLQIEISA-N	247.339	-0.260	50	10	BBGE	
N#CC1(O)CCN(C(=O)[C@H]2[C@H]3CN[C@H]2C3)CC1	692177156	IGLFGOOOAMNWJW-UTLUCORTSA-N	235.287	-0.529	50	10	BBGE	
NNC(=O)c1ccc(CN2CCNC2=O)o1	696376862	FCIUNXZHXMUMGJ-UHFFFAOYSA-N	224.220	-0.592	50	10	BBGE	
COC[C@H]1CCCN1CCC(=O)NN	696549718	RGOSRQLKDCFYSY-MRVPVSSYSA-N	201.270	-0.523	50	10	BBGE	
C[C@@H](CCC(=O)NN)N1CC2(COC2)C1	697131482	ATUQFUARAIUBPE-QMMMGPOBSA-N	213.281	-0.523	50	10	BBGE	
C[C@H](CCl)NC(=O)c1nnn(C)n1	697200791	KWJJDNPBCNQSQC-SCSAIBSYSA-N	203.633	-0.433	50	10	BBGE	
NNC(=O)CN1CCO[C@@H](CC(F)(F)F)C1	698222679	XFSHINJWTVFXKR-LURJTMIESA-N	241.213	-0.371	50	10	BBGE	
C[C@H](Cl)C(=O)NC[C@]1(O)CCN(C)C1	702654324	URRGPMCZCACOMH-IONNQARKSA-N	220.700	-0.204	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@H]1C[C@@H](O)C1	703805630	MUHLKHZPXCIPNO-YIZRAAEISA-N	215.297	-0.542	50	10	BBGE	
C[C@@H]1CCN(C(=O)C(=O)NN)C[C@@H](C)C1	723836896	AWBZONXFLRSSTG-SFYZADRCSA-N	213.281	-0.129	50	10	BBGE	
CC1=NC[C](/C=N/NC(=O)CO)S1	725544518	JCVSZXNMFLTIOA-UHFFFAOYSA-N	200.243	-0.222	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCOC1	731852213	MFJCIAWABDSVPC-SSDOTTSWSA-N	238.247	-0.484	50	10	BBGE	
CO[C@@H](C)CC(=O)NNC(=O)[C@H]1CCCO1	817213961	PDIVKTRBHQUFMN-JGVFFNPUSA-N	230.264	-0.262	50	10	BBGE	
COC(=O)NNC(=O)N[C@H](CN)C(F)(F)F	848594982	IFCOJYKUZRVXHE-GSVOUGTGSA-N	244.173	-0.554	50	10	BBGE	
C[C@@H]1CO[C@@H](C(=O)NNC(=O)N(C)C)C1	900427516	MOYXRFSXZAOVAO-NKWVEPMBSA-N	215.253	-0.286	50	10	BBGE	
O=C(CO)NNC(=O)c1cc2c(o1)CCCC2	1161080190	CZPLKIKWYSGYEH-UHFFFAOYSA-N	238.243	-0.088	50	10	BBGE	
NC(=O)CCC(=O)NNC(=O)c1ccccn1	1290126117	VEEURWWOVDNJHI-UHFFFAOYSA-N	236.231	-0.892	50	10	BBGE	
Cn1nncc1C=NNC(=O)Cc1ccccn1	1323596728	IXWBWLBENXVYSY-UHFFFAOYSA-N	244.258	-0.097	50	10	BBGE	
CC(C)C(=O)NNC(=O)[C@@H](O)c1cnn(C)c1	1587203576	QMTHIHCHJCXDHH-QMMMGPOBSA-N	240.263	-0.743	50	10	BBGE	
C#CCO[C@@H](C)C(=O)NNC(=O)c1ccnnc1	1630214933	IOHORRDPXWYRQO-QMMMGPOBSA-N	248.242	-0.724	50	10	BBGE	
Cn1cnc(C(=O)NNc2ncc(F)cn2)n1	1636476127	CDDYXKXAPDJFTG-UHFFFAOYSA-N	237.198	-0.499	50	10	BBGE	
CCn1ncc(C(=O)NNc2nc[nH]n2)n1	1641624344	UESHHBWGZRGSRZ-UHFFFAOYSA-N	222.212	-0.827	50	10	BBGE	
COC[C@@H](OC[C@@H]1C[C@H]1C)C(=O)NN	1877781934	WXMWRHJDULTNKQ-GJMOJQLCSA-N	202.254	-0.336	50	10	BBGE	
C[C@@H](CS(=O)(=O)N(C)C)NC(=O)F	1882790334	WYNQQTSLOGUGOO-YFKPBYRVSA-N	212.246	-0.055	50	10	BBGE	
CC1(N)CN(C(=O)C=CC(=O)Cl)C1	1883627411	UTDKWFFHARCICD-UHFFFAOYSA-N	202.641	-0.132	50	10	BBGE	
O=C([C@@H]1C[C@@H]1Cl)N1CCOCCN1	1883643686	CPLWOJHUVLHNGY-RQJHMYQMSA-N	204.657	-0.023	50	10	BBGE	
CN(C)[C@H]1C[C@@H](OCCC(=O)NN)C1	1886160109	UOCJLKIOQVGTCX-OCAPTIKFSA-N	201.270	-0.524	50	10	BBGE	
CN1C[C@H](C(=O)O)N(C(=O)F)CC1=O	1887173911	SIMMXHRPUDDJJF-SCSAIBSYSA-N	204.157	-0.697	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C[C@@H](C)N	1888561989	NCNWFICICRDITE-ZCFIWIBFSA-N	223.298	-0.964	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1C[C@H]1CF	1888819901	XQMVEYSBSPBESX-YUMQZZPRSA-N	203.261	-0.096	50	10	BBGE	
CN(C)NC(=O)[C@@H](N)[C@@H](O)C(C)(C)C	1889662605	XMWSIUAPOJUMDQ-NKWVEPMBSA-N	203.286	-0.687	50	10	BBGE	
NC(=O)NCCNC(=O)C=CC(=O)Cl	1893411094	RXHSQAHJBLCCOK-UHFFFAOYSA-N	219.628	-0.908	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C(=O)CC12CCC2	1893860929	OYVWRXAQLJGDRP-ZETCQYMHSA-N	211.265	-0.090	50	10	BBGE	
C[C@H](CCC(=O)NN)N1CCN(C)[C@@H]2C[C@@H]21	1895004137	URUQJJVDHBKVIR-BBBLOLIVSA-N	226.324	-0.467	50	10	BBGE	
NNC(=O)[C@@H]1CCC[C@H](CSCC(N)=O)O1	1896930913	XYKNGZGPBDWTFO-RQJHMYQMSA-N	247.320	-0.868	50	10	BBGE	
O=S(=O)(CCl)N1CC[C@@H](O)C[C@@H]1CO	1899578348	ZALAJJDXOHARRB-RNFRBKRXSA-N	243.712	-0.670	50	10	BBGE	
C[C@H]1CC[C@H]1NC(=O)c1cnsc1B(O)O	1900451586	NQRZJXGBPIONDV-CAHLUQPWSA-N	240.093	-0.649	50	10	BBGE	
CCS(=O)(=O)N(C)NC(=O)C1(C)CC(N)C1	1901341372	UNWGXGOUJOWZGJ-UHFFFAOYSA-N	249.336	-0.574	50	10	BBGE	
CN(NC(=O)C=CCN)S(=O)(=O)C1CCC1	1901348524	KKXDRSAZLUYHMM-UHFFFAOYSA-N	247.320	-0.653	50	10	BBGE	
C=C(C)CC(=O)Nc1cccc(B(O)O)n1	1902353339	BZVYWJNEBRSEGN-UHFFFAOYSA-N	220.037	-0.334	50	10	BBGE	
C[C@]1(B(O)O)CCN(S(=O)(=O)CCC#N)C1	1902511545	IIPHUMPNURPZNA-QMMMGPOBSA-N	246.097	-0.831	50	10	BBGE	
CC[S@@](=O)Nc1cc(F)c(F)cc1B(O)O	1904681614	REEISIIRPHSWMH-MRXNPFEDSA-N	249.047	-0.260	50	10	BBGE	
O=C(CCCl)N1C[C@H](O)[C@@H](O)[C@@H]1CF	1905009687	ORBQTZDXROCWRK-HAFWLYHUSA-N	225.647	-0.483	50	10	BBGE	
CO[C@@H]1CN([C@H](C)CC(=O)NN)[C@@H]2COC[C@H]12	1905694003	UIPLENOECRFJOV-UTINFBMNSA-N	243.307	-0.900	50	10	BBGE	
CO[C@@H]1C[C@@H]2C[C@H](N(C)C(=O)C(=O)NN)C[C@@H]21	1909274793	LRZXCYWUFGSAJO-XSPKLOCKSA-N	241.291	-0.752	50	10	BBGE	
CC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)CC(=O)NN	1909670841	JIAAVJKDUUBSJI-JEZHCXPESA-N	240.307	-0.940	50	10	BBGE	
C[C@@H]1C[C@@H]1COCCn1cc(C(=O)NN)nn1	1910812463	QEVHNGUBROXVNW-HTQZYQBOSA-N	239.279	-0.446	50	10	BBGE	
CSSCCNC(=O)C[C@H](N)C(=O)O	1913951838	CNDWGXPLLSSILT-YFKPBYRVSA-N	238.334	-0.084	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CC[C@@H](O)[C@H]1C	1914261601	HJRUGZBXOZARFB-BZNPZCIMSA-N	215.297	-0.544	50	10	BBGE	
NNC(=O)CCN1[C@H]2CC[C@H]1CSC2	1914570587	PPPLTUBTTQEPGH-YUMQZZPRSA-N	215.322	-0.054	50	10	BBGE	
N#CC1=CCN(C[C@H]2CCS(=O)(=O)N2)CC1	1917086143	DVUZKVADUKMSTN-SNVBAGLBSA-N	241.316	-0.166	50	10	BBGE	
C[C@@H](N(C)CC(F)(F)C(=O)NN)C(C)(C)O	1935940917	GNKZTQGTRBIARF-ZCFIWIBFSA-N	239.266	-0.297	50	10	BBGE	
CCN1CCN(C[C@H]2C[C@@H]2C(=O)NN)C1=O	1936093709	GWGBKBMIKGSTLG-SFYZADRCSA-N	226.280	-0.630	50	10	BBGE	
C[C@H](CC(=O)NN)N1CCOC[C@@H]1C1CC1	1936113590	SKLWMAQBLLBGNE-PSASIEDQSA-N	227.308	-0.134	50	10	BBGE	
NNC(=O)[C@@H]1C[C@@H]1CN1CC[C@]2(CCO2)C1	1938672521	CHFNMBZYYPTONX-KKZNHRDASA-N	225.292	-0.523	50	10	BBGE	
C[C@@H]1OCCO[C@@H]1CN(C)CCCC(=O)NN	1940292232	UJJWFPGOUGMNRY-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
CN1CC(CCN2[C@H]3CC[C@H]2C(=O)OC3=O)C1	1941476373	JWLVDWDQXPFEQC-UWVGGRQHSA-N	238.287	-0.146	50	10	BBGE	
CC(C)[C@H]1CN(CCOCC(=O)NN)CCO1	1941771999	BZTKNYLNHOGSKY-SNVBAGLBSA-N	245.323	-0.650	50	10	BBGE	
O=C1OC(=O)[C@H]2CC[C@H]1N2[C@H](CO)CCCO	1942750399	IYDCLBMLZKVMPK-DJLDLDEBSA-N	243.259	-0.964	50	10	BBGE	
CCC[C@@H](C(=O)NN)N(C)CCn1ccnc1	1944475932	RFEVJNKSSSHRSZ-JTQLQIEISA-N	239.323	-0.027	50	10	BBGE	
O=C(CCl)NCC[C@H]1COC[C@H]1O	1953871858	REYJDQNFBORNDE-NKWVEPMBSA-N	207.657	-0.261	50	10	BBGE	
C[C@@H](Cl)CC(=O)NCCNC(N)=O	1954238876	JWPFZPZJFNYUBQ-RXMQYKEDSA-N	207.661	-0.212	50	10	BBGE	
NC(=O)[C@@H]1CCN1CCOCCCl	1954820775	NEOFHWRPYQKAKF-ZETCQYMHSA-N	206.673	-0.199	50	10	BBGE	
O=S(=O)(CCl)NC[C@H]1C[C@H](CO)CO1	1955106219	JMHWILBMCUNNRD-RNFRBKRXSA-N	243.712	-0.501	50	10	BBGE	
O=C(CCCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O	1958775757	WBTALRBPQQNYAP-KDDQHCCQSA-N	233.695	-0.042	50	10	BBGE	
C[C@@H]1CC[C@H]1N(C)CCOCC(=O)NN	1959194148	DOJUKIDALDIIAW-RKDXNWHRSA-N	215.297	-0.277	50	10	BBGE	
NNC(=O)CN1[C@H](CO)C[C@H]2CCC[C@@H]21	1960135073	PWRDVTFGVFIFMM-VGMNWLOBSA-N	213.281	-0.788	50	10	BBGE	
OB(O)c1csc(N2CCCCCO2)n1	1961718099	KBPITDAFJGIXIC-UHFFFAOYSA-N	228.082	-0.255	50	10	BBGE	
O=C(CCCl)N1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2	1961926987	PNMNUTKRNFGIJW-OORONAJNSA-N	233.695	-0.042	50	10	BBGE	
NCCN(CCN)C(=O)C1CC(Cl)C1	1967059830	MMWZGTZPBXGKRN-UHFFFAOYSA-N	219.716	-0.250	50	10	BBGE	
Cc1noc(CN(C)C[C@@H](C)C(=O)NN)n1	1976742188	WIWGFLMPGUTNOL-ZCFIWIBFSA-N	227.268	-0.564	50	10	BBGE	
CCNC(=O)N[C@@H](C)c1cc(B(O)O)cs1	1983824060	LYJVNRMFTQQUKS-LURJTMIESA-N	242.109	-0.192	50	10	BBGE	
NNC(=O)[C@@H]1CC[C@@H](CN2CC[C@@H](O)C2)C1	1985357085	LXFLMOGGKOOKQF-OPRDCNLKSA-N	227.308	-0.541	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1CCO[C@H]2COC[C@@H]21	1991713041	OBSRUQFWYFNZIN-HIQWKFPQSA-N	245.662	-0.066	50	10	BBGE	
C[C@@H](OC(C)(C)C)C(=O)NCC#CB(O)O	1992143306	PSZHTHNWLPJETO-MRVPVSSYSA-N	227.069	-0.678	50	10	BBGE	
C=C(CN1CCO[C@H](CCOC)C1)B(O)O	1992167110	DWALPNVVXDGSJR-SNVBAGLBSA-N	229.085	-0.708	50	10	BBGE	
CCC[C@H](C(=O)NN)N1CCC12CC(CO)C2	1997986270	HOBPOCXPSLQQRQ-SQLBVSGCSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C(C(=O)Nc2ccc(B(O)O)cn2)[C@H]1C	1998447354	DYKDMLUWJOPPJU-BQBZGAKWSA-N	234.064	-0.398	50	10	BBGE	
C[C@@H]1CC[C@H](CO)N(C[C@H]2C[C@@H]2C(=O)NN)C1	2001931442	FIKGNBSNKZCFFA-DBIOUOCHSA-N	241.335	-0.295	50	10	BBGE	
Cc1nnc(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)o1	2004409347	JGYYQHXUTCORRZ-YUMQZZPRSA-N	239.279	-0.564	50	10	BBGE	
C[C@@H](CC(=O)NN)N1C[C@H](O)C2(CCCC2)C1	2006030806	SEEOZWMXOLYYLC-UWVGGRQHSA-N	241.335	-0.008	50	10	BBGE	
CC[C@@H](C(=O)NN)N(C)C[C@]1(OC)CCOC1	2013413120	FWHQBXDKANEICS-GXSJLCMTSA-N	245.323	-0.508	50	10	BBGE	
C[C@@H]1CCCN(C2CN(CCC(=O)NN)C2)C1	2014763908	BLMGCEATCXTLNL-SNVBAGLBSA-N	240.351	-0.218	50	10	BBGE	
CC(=O)NNC(=O)CN1CC(COC(C)C)C1	2019212061	RQWAZAMUTMSGRO-UHFFFAOYSA-N	243.307	-0.490	50	10	BBGE	
C=C1CC(N)(C(=O)N2CCC(O)(C#N)CC2)C1	2020887034	SMNMGDUNOOBBLX-UHFFFAOYSA-N	235.287	-0.089	50	10	BBGE	
C[C@@H](C(=O)NN)N1CCC(C2(O)CCC2)CC1	2025073710	LQAKHIPAZDCPFM-VIFPVBQESA-N	241.335	-0.008	50	10	BBGE	
C[C@H](CN1[C@H](CO)CCC12CCC2)C(=O)NN	2025476637	SXQJSKCWAVQTSB-ZJUUUORDSA-N	241.335	-0.008	50	10	BBGE	
C[C@@H]1C[C@@H]2CN(c3ncccc3B(O)O)C[C@@H]21	2025800716	MDHDNLHRJYCLOI-OPRDCNLKSA-N	232.092	-0.146	50	10	BBGE	
Cc1ncnc(CN(C)C(=O)C(=O)NN)c1C	2025894673	CCXHDVYHCJDWKR-UHFFFAOYSA-N	237.263	-0.958	50	10	BBGE	
CN(CCn1ccnc1)c1ccc(B(O)O)cn1	2052471889	IEKKTJRSUTUFSY-UHFFFAOYSA-N	246.079	-0.906	50	10	BBGE	
C[C@H]1CN(c2ccc(B(O)O)cn2)C[C@H](C)N1C	2052472889	OLVYNWKRQKUFMA-UWVGGRQHSA-N	249.123	-0.710	50	10	BBGE	
CN(Cc1cnn(C)c1)c1ccncc1B(O)O	2052486402	DTIIKACRJNEGDA-UHFFFAOYSA-N	246.079	-0.869	50	10	BBGE	
OB(O)c1cccnc1N1CCO[C@H]2CCC[C@@H]21	2052490196	APSCNSOLRDKKHR-QWRGUYRKSA-N	248.091	-0.481	50	10	BBGE	
Cc1ncc(B(O)O)c(N(C)C[C@H]2CC2(C)C)n1	2052621073	BMUQFCWCDWQGSD-SECBINFHSA-N	249.123	-0.053	50	10	BBGE	
CC[C@H](C(=O)NN)N1CC[C@@H]2[C@@H]1C[C@]2(C)O	2210375880	ZGSZYEFEMVKETP-REIXXSIJSA-N	227.308	-0.400	50	10	BBGE	
Cc1ncc(B(O)O)c(OCC2(F)CC2)n1	2211058300	JUJJKRMODRYWQR-UHFFFAOYSA-N	226.016	-0.654	50	10	BBGE	
CN(C[C@H]1CC[C@H]1C(=O)NN)C1(CO)CC1	2211837922	ABRWSMPCJAZHEV-RKDXNWHRSA-N	227.308	-0.541	50	10	BBGE	
CC[C@H](O)[C@H](C)Nc1ncccc1B(O)O	2212604874	SZBIDVBMAPGZOH-CBAPKCEASA-N	224.069	-0.667	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)[C@H](CO)CC1CC1	2213909593	AUTFAWLCSNVAGM-UWVGGRQHSA-N	245.323	-0.916	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1[C@H]2CC[C@H](O)[C@H]1CC2	2216253432	RTUOPBOOUODPPB-LXUNUROVSA-N	239.319	-0.400	50	10	BBGE	
Cc1cnc(O[C@H]2CCN[C@@H]2C)cc1B(O)O	2217168806	YBKWOHNIWUSFOY-SCZZXKLOSA-N	236.080	-0.801	50	10	BBGE	
C[C@@H](CCO)N(C)c1nccc(B(O)O)c1F	2217181793	VEECFCCQUKKXOJ-ZETCQYMHSA-N	242.059	-0.892	50	10	BBGE	
CC1(C)[C@H](O)CCN1c1ccc(B(O)O)cn1	2217184602	QGKFRTSNGYLZRS-SECBINFHSA-N	236.080	-0.889	50	10	BBGE	
CCCOCCOc1nccc(B(O)O)c1F	2217185813	BSZQVAVAVPVBHY-UHFFFAOYSA-N	243.043	-0.294	50	10	BBGE	
OB(O)c1cccnc1N[C@H]1C(F)(F)C12CC2	2217204015	DCVUMBBXFMOTEQ-MRVPVSSYSA-N	240.018	-0.029	50	10	BBGE	
C[C@@H](Nc1ncc(B(O)O)cn1)c1ccnn1C	2223635757	BMAZAKWBPBUASH-SSDOTTSWSA-N	247.067	-0.937	50	10	BBGE	
Cc1cnc(NC[C@H]2[C@@H]3COC[C@H]23)cc1B(O)O	2223640083	JAEBKNVHUCJKRB-OWUUHHOZSA-N	248.091	-0.626	50	10	BBGE	
C[C@]12CCO[C@@H]1[C@H](Nc1ccc(B(O)O)cn1)C2	2223643794	AJUKPDDFGLWFNL-YUSALJHKSA-N	248.091	-0.259	50	10	BBGE	
Cc1cnc(N2CC[C@@H](N)[C@H](C)C2)cc1B(O)O	2223653374	QORMLCJCNORVPJ-MWLCHTKSSA-N	249.123	-0.757	50	10	BBGE	
C#Cc1c(Nc2ncccc2B(O)O)cnn1C	2223668057	WMGVDFHBYPMWKN-UHFFFAOYSA-N	242.047	-0.780	50	10	BBGE	
OB(O)c1cnc(N[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)nc1	2223668699	ZXRGDBWOYFORAJ-OPVFVPONSA-N	243.075	-0.921	50	10	BBGE	
N[C@@H]1CC[C@@H](CCN=c2ccc(B(O)O)c[nH]2)C1	2223669075	FTBGVKSIYUBAKE-GXSJLCMTSA-N	249.123	-0.887	50	10	BBGE	
CC1(C)C[C@@H](N)CN(c2ncccc2B(O)O)C1	2223669994	QYAGQIQZGVDNSF-SECBINFHSA-N	249.123	-0.675	50	10	BBGE	
CN(c1cc(B(O)O)ccn1)[C@@H]1CO[C@H]2C[C@@H]1C2	2223676869	GYLTVELWHZYKEW-DVVUODLYSA-N	248.091	-0.625	50	10	BBGE	
O=C(N[C@H]1C[C@@H]1F)C1CC(B(O)O)C1	2241495156	HDRFACKLTBDGEW-FTDRKVFOSA-N	201.006	-0.534	50	10	BBGE	
C[C@@H](F)CNC(=O)[C@H]1C[C@H](B(O)O)C1	2241495659	LHRLRRJUYNZUMK-FSDSQADBSA-N	203.022	-0.286	50	10	BBGE	
C[S@@](=O)CCCNC(=O)C1(B(O)O)CCC1	2243348139	UMLANVPSMKRKNZ-MRXNPFEDSA-N	247.125	-0.732	50	10	BBGE	
O=C(c1ccoc1B(O)O)N1C[C@H]2C[C@H]2C1	2243357660	ZSFNNXXGVBYFTQ-KNVOCYPGSA-N	221.021	-0.949	50	10	BBGE	
Cc1cnc(CNC(=O)[C@H]2C[C@H]2B(O)O)o1	2243392435	TYJBSJNYFYPKKD-NKWVEPMBSA-N	224.025	-0.538	50	10	BBGE	
Cn1nccc1NC(=O)[C@H]1C[C@H](B(O)O)C1	2243392593	VEQHMBJMZLAZAE-LJGSYFOKSA-N	223.041	-0.388	50	10	BBGE	
O=C(N[C@@H](CF)C(F)(F)F)[C@H]1C[C@@H]1B(O)O	2243396716	PUMOJEQBHRMOQZ-YUPRTTJUSA-N	242.965	-0.134	50	10	BBGE	
CC1(C)C[C@@H]1NC(=O)c1cc(B(O)O)c[nH]1	2243399842	RFJLLTVXGAAQCD-QMMMGPOBSA-N	222.053	-0.777	50	10	BBGE	
CO[C@@H](C)CN(C)C(=O)C1CC(B(O)O)C1	2243414191	VMHAQAJLSRXDQQ-UEJVZZJDSA-N	229.085	-0.267	50	10	BBGE	
CC=C[C@@H](C)NC(=O)c1cocc1B(O)O	2244212265	NLTCRBZWDLSKQX-SSDOTTSWSA-N	223.037	-0.346	50	10	BBGE	
C[C@@]12CO[C@@H](C1)[C@@H](N1CC(=O)OC(=O)C1)C2	2244348957	YCGZAUNVEDSGKA-LAEOZQHASA-N	225.244	-0.061	50	10	BBGE	
Cc1ccc(B(O)O)c(SCC2COC2)n1	2244514836	ADNJFFDRDZNUDZ-UHFFFAOYSA-N	239.105	-0.192	50	10	BBGE	
C[C@H]1CN(C(=O)C(=O)NN)[C@@H](C)C(C)(C)O1	2244836249	GCTQASYKBWZOGF-BQBZGAKWSA-N	229.280	-0.609	50	10	BBGE	
CCCN(CCOCC(=O)NN)C[C@H](C)O	2244882221	NUTABCKGNBIRLW-VIFPVBQESA-N	233.312	-0.914	50	10	BBGE	
CO[C@H]1C[C@H](NC(=O)C#CB(O)O)C12CCC2	2247742107	KSOXAWQIFZWSMD-IUCAKERBSA-N	237.064	-0.924	50	10	BBGE	
O=C(c1ccc(B(O)O)o1)N1CCC(F)(F)C1	2247747424	NGDNNZJDOOAHBG-UHFFFAOYSA-N	244.990	-0.559	50	10	BBGE	
O=C(N[C@@H]1C[C@@H]1F)c1cccc(F)c1B(O)O	2247752896	XPXKPOMPYXUVDZ-JGVFFNPUSA-N	241.002	-0.654	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(B(O)O)c1	2247755705	DEMNHHQHXCJZHD-WKEGUHRASA-N	237.039	-0.356	50	10	BBGE	
C[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1B(O)O	2247758522	LQMPUYWAFHMLLI-RCOVLWMOSA-N	237.039	-0.356	50	10	BBGE	
CCN(OC)C(=O)c1ccc(B(O)O)c(F)c1	2247760454	IIEQOYGUZKONBU-UHFFFAOYSA-N	241.027	-0.471	50	10	BBGE	
CCC(CC)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1B(O)O	2247789993	DPXJMDRMZQKFLJ-KXUCPTDWSA-N	243.112	-0.237	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CCC[C@@](F)(CO)C1	2247797851	NOXWVPOEYBMJTH-WEDXCCLWSA-N	245.059	-0.828	50	10	BBGE	
CN(C)[C@]1(C)CCN(C(=O)[C@H]2C[C@@H]2B(O)O)C1	2247805029	AGRYTAVSOYRKTL-ATZCPNFKSA-N	240.112	-0.598	50	10	BBGE	
CN(Cc1cn(C)cn1)C(=O)[C@H]1C[C@@H]1B(O)O	2247809618	QEIWQAJWABRLFH-IUCAKERBSA-N	237.068	-0.759	50	10	BBGE	
CC1(C)C[C@@H](CNC(=O)C#CB(O)O)CCO1	2247849775	FAWDKRRXKROVQI-VIFPVBQESA-N	239.080	-0.677	50	10	BBGE	
CCO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B(O)O)C1	2247852009	NMERESSPOCMWTI-AEJSXWLSSA-N	241.096	-0.123	50	10	BBGE	
CCCNC(=O)CNC(=O)C1(B(O)O)CCC1	2247877308	GAQGRYIMFGDIHF-UHFFFAOYSA-N	242.084	-0.974	50	10	BBGE	
CC#CC(=O)N1CCc2cc(B(O)O)ccc21	2248414719	OBAMWBPBWLYDND-UHFFFAOYSA-N	229.044	-0.721	50	10	BBGE	
CC#CC(=O)NCc1cc(B(O)O)ccc1F	2248429153	JLNCEYFUCAEOKQ-UHFFFAOYSA-N	235.023	-0.855	50	10	BBGE	
Cc1cc(NC(=O)C[C@@H](C)O)cc(B(O)O)c1	2248442271	WANAHULNSWWENS-MRVPVSSYSA-N	237.064	-0.616	50	10	BBGE	
O=C(O)C[C@H](NC(=O)[C@@H]1C[C@@H]1B(O)O)C1CC1	2248573839	KGGGAKQBQWERKN-CSMHCCOUSA-N	241.052	-0.781	50	10	BBGE	
C#C[C@H](NC(=O)c1cocc1B(O)O)C(C)C	2249432314	WEKNQXLTJUOUOL-JTQLQIEISA-N	235.048	-0.653	50	10	BBGE	
C#CC1(Nc2cc(B(O)O)ccn2)CC(C)C1	2250667568	XNGPQMJELQRNOG-UHFFFAOYSA-N	230.076	-0.025	50	10	BBGE	
O=C(NCc1cc[nH]c1)c1ccncc1B(O)O	2255444740	OQXVGCORSUWNAP-UHFFFAOYSA-N	245.047	-0.981	50	10	BBGE	
N#C[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)c[nH]1	2255464201	SUWFDIFSHHQTHB-VXNVDRBHSA-N	247.063	-0.883	50	10	BBGE	
O=C(Nc1cn[nH]c1)c1ccc(F)c(B(O)O)c1	2255513973	BEXZHFYRWBCMMY-UHFFFAOYSA-N	249.010	-0.519	50	10	BBGE	
C#C[C@H](CCC)NC(=O)c1ncccc1B(O)O	2255515016	QWJBGCISTPTKQR-SECBINFHSA-N	246.075	-0.707	50	10	BBGE	
C=C1CC(NC(=O)c2cc(B(O)O)cn2CC)C1	2255730906	WIMMODCPENOOSW-UHFFFAOYSA-N	248.091	-0.364	50	10	BBGE	
O=C(NC[C@@]12CCC[C@@H]1C2)c1occc1B(O)O	2255746121	RPZDUZLYJCPYOE-PELKAZGASA-N	249.075	-0.121	50	10	BBGE	
C[C@H]1C(NC(=O)c2ccc(B(O)O)cc2O)[C@@H]1C	2255937679	XFGFNPIDGSQUBW-RNFRBKRXSA-N	249.075	-0.544	50	10	BBGE	
C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)co1	2258136131	JICXRADXWZBNKG-XCWAXFADSA-N	249.075	-0.266	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(B(O)O)cc2O)C1	2261373492	ZSLBKTXGHSKXKF-UHFFFAOYSA-N	247.059	-0.670	50	10	BBGE	
C=CC1CN(C(=O)c2ccc(C)cc2B(O)O)C1	2261385189	HTVVQFLKGOANOB-UHFFFAOYSA-N	245.087	-0.067	50	10	BBGE	
O=C([C@H]1C[C@H]1B(O)O)N1C[C@@H]2C[C@H](C[C@H]2O)C1	2298375499	MHJUYOWHQGKKNE-SOYHJAILSA-N	239.080	-0.921	50	10	BBGE	
O=C(c1ncncc1F)N1CC[C@@H](B(O)O)C1	2303113258	BHJVKQWCSXMIBN-ZCFIWIBFSA-N	239.015	-0.695	50	10	BBGE	
OB(O)c1csc(Cn2ccnc2C2CC2)n1	2303333406	DXAUPRLHGOJCFX-UHFFFAOYSA-N	249.104	-0.055	50	10	BBGE	
N#Cc1cc(B(O)O)ccc1N(CCO)C1CC1	2317163961	TWYMATJNEDNRQC-UHFFFAOYSA-N	246.075	-0.801	50	10	BBGE	
CC(C)(N)CCOc1ccc(B(O)O)cc1C#N	2317210063	YMLRUSONLPXCRS-UHFFFAOYSA-N	248.091	-0.256	50	10	BBGE	
CC[C@@H]1C[C@H]1CC(=O)Nc1ncc(B(O)O)cn1	2320350071	INISMAPLHYRIKG-SFYZADRCSA-N	249.079	-0.469	50	10	BBGE	
CCCCC(=O)NNC(=O)c1nonc1N	20899757	FNBCFKRCPVQJTQ-UHFFFAOYSA-N	227.224	-0.397	50	10	BBGE	
O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2Br	38644740	CYDSHUXBYGPGJA-VANKVMQKSA-N	209.039	-0.092	50	10	BBGE	
CNCCN(C)[C@@H](C(=O)NN)C(C)C	69801836	IRBSFCNUTKOQGR-MRVPVSSYSA-N	202.302	-0.848	50	10	BBGE	
O=C1NCCC[C@@H]1NS(=O)(=O)CCl	82513229	JRMMVVSBVIDKJG-YFKPBYRVSA-N	226.685	-0.619	50	10	BBGE	
C[C@@H]([C@@H](C)C(=O)NN)N1CCS(=O)CC1	86313559	YGSKAJAEAGLQKS-SFYZADRCSA-N	233.337	-0.935	50	10	BBGE	
CC(C)NC(=O)CN(C)CCCCC(=O)NN	110593359	AJIMWOFVSDTVHA-UHFFFAOYSA-N	244.339	-0.397	50	10	BBGE	
C[C@H]1CO[C@H](CO)CN1CC(C)(C)C(=O)NN	122373651	NZFKPFSBAWTVSR-IUCAKERBSA-N	245.323	-0.916	50	10	BBGE	
CCOC(=O)/C(C#N)=C1/NC(=O)CN1C	210608608	SVILJOZNVGKYNA-VURMDHGXSA-N	209.205	-0.654	50	10	BBGE	
CCN(CC(N)=O)C(=O)NC(=O)CCCl	231826149	YWEZEKZJLDUKMW-UHFFFAOYSA-N	235.671	-0.341	50	10	BBGE	
COC[C@@H](C(=O)NN)N(C)CCSC	232420694	MRWPYSJLOORTCU-ZETCQYMHSA-N	221.326	-0.714	50	10	BBGE	
CNC(=O)C(Br)C(=O)NC	238320422	QTQZTRTXGIDTMP-UHFFFAOYSA-N	209.043	-0.758	50	10	BBGE	
CO[C@@H](C)[C@@](C)(O)/C(C)=N/NC(N)=O	238369968	QTOMDNBWUJLWKQ-WBHRITSKSA-N	203.242	-0.184	50	10	BBGE	
N#Cc1cc(B(O)O)cnc1C(F)(F)F	238632327	FKHOWGCESIIFIE-UHFFFAOYSA-N	215.927	-0.348	50	10	BBGE	
CC[C@H](C(=O)NN)N(C)[C@H]1CCCC[C@@H]1O	252915127	AJAZSPSEUWTDCB-UTLUCORTSA-N	229.324	-0.010	50	10	BBGE	
N#CC[C@H](N)c1ccc2c(c1B(O)O)OCO2	260392293	ROCSBGCGITWIMH-ZETCQYMHSA-N	234.020	-0.991	50	10	BBGE	
CC(C)N(CCOCCO)C[C@H](C)C(=O)NN	302539372	SUTWJUKZSXYXAE-JTQLQIEISA-N	247.339	-0.668	50	10	BBGE	
NNC(=O)CCN1CC[C@](O)(C(F)(F)F)C1	304520811	FIFYUJFAEBMHSO-SSDOTTSWSA-N	241.213	-0.635	50	10	BBGE	
N#C[C@@H](Cl)CN1CCOC[C@@H](O)C1	307437108	UMUOOMGEAHQNPJ-SFYZADRCSA-N	204.657	-0.190	50	10	BBGE	
Cn1ncc(C(=O)N2CCOC[C@H]2CCl)n1	309165047	TVWBDTFITMKRKM-SSDOTTSWSA-N	244.682	-0.105	50	10	BBGE	
CC(C)[C@H](C(=O)NN)N1C[C@H](C)[C@@H](O)C1	388627425	OMBOECWFXHWTTK-XHNCKOQMSA-N	215.297	-0.687	50	10	BBGE	
CCOc1cccc(CC(C)=O)c1B(O)O	396080510	XBKSVDQOFWPVSZ-UHFFFAOYSA-N	222.049	-0.103	50	10	BBGE	
Nc1cc(C(=O)O)c2sc(B(O)O)cc2c1	396244350	PYCKRBDPXQIKBA-UHFFFAOYSA-N	237.045	-0.139	50	10	BBGE	
Nc1c(C=O)sc2cc(B(O)O)ccc12	396250078	GRKZIRKJIZJGPO-UHFFFAOYSA-N	221.046	-0.024	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H](O)C[C@H]2C1	398836697	JAFFAUDTUMHYBM-XWLWVQCSSA-N	241.335	-0.152	50	10	BBGE	
O=C(CN1CCCN1)NNC(=O)c1ccccc1	400263392	DIFVWRMMAVPKAD-UHFFFAOYSA-N	248.286	-0.342	50	10	BBGE	
Cc1cc(CNC(=O)C(=O)NN)sn1	404389913	OUYFFNKBCNIWKX-UHFFFAOYSA-N	214.250	-0.942	50	10	BBGE	
Br[C@@H]1CN[C@@H]2NCC[C@H]2N1	585663417	QOHZCGQMMGTCBR-SRQIZXRXSA-N	206.087	-0.412	50	10	BBGE	
C[C@H]1CN(CC(=O)NN)CC[C@@H](C)O1	606275763	LPFVTUFTDDYIOT-SFYZADRCSA-N	201.270	-0.524	50	10	BBGE	
NS(=O)(=O)CCCC[S@@](=O)Cl	675067594	KLOHBAQZZKZWLQ-SNVBAGLBSA-N	219.715	-0.042	50	10	BBGE	
CC(=O)NNC(=O)CN(C)C[C@H]1CCC[C@H]1O	689263388	UHSJVTNGOUFOJN-NXEZZACHSA-N	243.307	-0.754	50	10	BBGE	
COC[C@H](C(=O)NN)N(C[C@@H](C)O)C(C)C	692175775	QHKFHHVUQWUWQZ-RKDXNWHRSA-N	233.312	-0.918	50	10	BBGE	
C[C@H](Cl)C(=O)N1C[C@H](O)C[C@]1(C)CO	698216505	SOCQVRYQWKXVFM-LKEWCRSYSA-N	221.684	-0.042	50	10	BBGE	
C[C@@H]1CN([C@@H](C)CC(=O)NN)C[C@H]1CO	708082637	TVFFJEXWKDRODH-VGMNWLOBSA-N	215.297	-0.685	50	10	BBGE	
CN(C[C@H](Cl)C#N)[C@@H]1COC[C@@H]1O	708189300	JRAQHBUWFHKABA-PRJMDXOYSA-N	204.657	-0.191	50	10	BBGE	
Cn1nnc([C@H](Cl)C(=O)N2CCOCC2)n1	711252692	ALUQECFPSKGRCW-LURJTMIESA-N	245.670	-0.651	50	10	BBGE	
C[C@@H](Cl)C(=O)NC[C@H](O)CN(C)C	717364631	JHDWFBALZRWZLW-RQJHMYQMSA-N	208.689	-0.348	50	10	BBGE	
O=C1CN([C@@H]2C[C@H]3CCCN(C3)C2)CC(=O)O1	717397451	VNOSNENVYAZGBA-NXEZZACHSA-N	238.287	-0.144	50	10	BBGE	
Cc1[nH]nc(C(=O)NNC(=O)c2cnn[nH]2)c1C	734435927	PSEMJEBBSSBDGB-UHFFFAOYSA-N	249.234	-0.781	50	10	BBGE	
O=C(NNC(=O)C1CN(CC(F)F)C1)C1CC1	791294925	NNWSEWWETPMSNQ-UHFFFAOYSA-N	247.245	-0.259	50	10	BBGE	
Cn1nccc1C(=O)NNC(=O)[C@H]1CCCO1	817213724	ARDNNMASKQPHJR-MRVPVSSYSA-N	238.247	-0.640	50	10	BBGE	
CC(C)(CNC(=O)NN)C(=O)N1CCCC1	861695742	MRSZAKNNLOYMOX-UHFFFAOYSA-N	228.296	-0.192	50	10	BBGE	
O=C(CC1CSC1)NNC(=O)c1cc[nH]n1	869240007	VAUFIRQSLSPCLY-UHFFFAOYSA-N	240.288	-0.076	50	10	BBGE	
CC(C)C#CC(=O)NNC(=O)c1cnsn1	923902757	NEXPWHMJUREUPU-UHFFFAOYSA-N	238.272	-0.042	50	10	BBGE	
NC(=O)c1ccc(C(=O)NNc2ncccn2)[nH]1	1136160468	GVHOEJXZJGEGNL-UHFFFAOYSA-N	246.230	-0.340	50	10	BBGE	
Cc1cc(C(=O)NNC(=O)Cc2cnc[nH]2)n[nH]1	1137961848	GLGGPYXJMGYQKA-UHFFFAOYSA-N	248.246	-0.555	50	10	BBGE	
CN(NC(=O)CCC(C)(C)[N+](=O)[O-])C(N)=O	1151319402	IKXNVBIZASCBJM-UHFFFAOYSA-N	232.240	-0.136	50	10	BBGE	
Cc1n[nH]cc1C(=O)NNC(=O)C1CC(=O)C1	1543016444	ULQCNAMUZZXQPM-UHFFFAOYSA-N	236.231	-0.542	50	10	BBGE	
O=C(NNC(=O)c1cc(F)c[nH]1)c1cc[nH]n1	1632708810	SAUSZPLHYDMMFM-UHFFFAOYSA-N	237.194	-0.048	50	10	BBGE	
Cc1cnc2c(C(=O)NN(C)C(N)=O)cnn2c1	1636584174	SLAGJKKQYYSFJN-UHFFFAOYSA-N	248.246	-0.307	50	10	BBGE	
CN=C(NN)NC[C@@H]1C[C@H]1Br	1877373044	WVPBHFJONOUBGT-CRCLSJGQSA-N	221.102	-0.192	50	10	BBGE	
N[C@@H](CC(=O)NC1CC(Cl)C1)C(=O)O	1884411574	FGWSIHHQALQWIW-WRVKLSGPSA-N	220.656	-0.326	50	10	BBGE	
C#C[C@H](CCl)NC(=O)C1CS(=O)(=O)C1	1884829154	MMMNGBBSQFVCMC-SSDOTTSWSA-N	235.692	-0.612	50	10	BBGE	
CO[C@H]1CC[C@H]1CC(=O)NNC(N)=S	1886970155	PWZFNFZDGYNVFQ-WDSKDSINSA-N	217.294	-0.334	50	10	BBGE	
O=C(Cl)/C=C/C(=O)N1C[C@H](O)[C@@H](F)C1	1893504751	LYWNVIIXOGRBKJ-ZELZYMQXSA-N	221.615	-0.151	50	10	BBGE	
C#C[C@@H](C)Oc1ccc(B(O)O)cc1C#N	1901205980	XDFQXSBTVYOVRR-MRVPVSSYSA-N	215.017	-0.361	50	10	BBGE	
CN(C)CCC(=O)N1CC[C@](C)(B(O)O)C1	1902517470	IVRHJKCLDKACLE-JTQLQIEISA-N	228.101	-0.597	50	10	BBGE	
CO[C@@H]1C[C@@H](CO)N([C@@H](C)[C@H](C)C(=O)NN)C1	1906685967	YVWQBOYOSYHNJO-AATLWQCWSA-N	245.323	-0.918	50	10	BBGE	
CO[C@@H]1C[C@H](CF)N(C[C@H]2C[C@@H]2C(=O)NN)C1	1909261211	LQPUSFKDYLYPEZ-KYXWUPHJSA-N	245.298	-0.329	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1[C@H]2CCO[C@@H]12	1909497928	RQXADCNWVJJOGA-NQMVMOMDSA-N	213.281	-0.667	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CC[C@H](O)C12CCC2	1914395619	FPBUKQNPUTVFNJ-GUBZILKMSA-N	241.335	-0.010	50	10	BBGE	
O=S(=O)(CCCl)N1C[C@H]2[C@H](O)C[C@H]2C1	1931419507	MOTNFBNZNNFKIR-XLPZGREQSA-N	239.724	-0.132	50	10	BBGE	
COC[C@@H](NC(=O)[C@H](C)CCl)C(N)=O	1932166347	SKANZKHZWSBEIQ-PHDIDXHHSA-N	222.672	-0.522	50	10	BBGE	
O=C(NCB(O)O)c1nccc(Cl)c1F	1933537960	TVBLGNMUWFTVPZ-UHFFFAOYSA-N	232.407	-0.384	50	10	BBGE	
CC[C@H](C(=O)NN)N1C[C@@H](O)CC1(C)C	1934005079	TUBDNGMMMBDWTA-JGVFFNPUSA-N	215.297	-0.400	50	10	BBGE	
CCC(F)(F)CN(C)CCOCC(=O)NN	1936536491	WHGUXRZSYDTWLO-UHFFFAOYSA-N	239.266	-0.030	50	10	BBGE	
CCN(Cc1ccc(F)c(B(O)O)c1)OC	1937136442	LYRRXLVLSYWNOS-UHFFFAOYSA-N	227.044	-0.111	50	10	BBGE	
C[C@H](c1ncnn1C)N1CC(=O)OC(=O)C1	1938683437	BSYYMNOCNNHSEJ-ZCFIWIBFSA-N	224.220	-0.739	50	10	BBGE	
CC(=O)NNC(=O)CSc1cc(N)ccn1	1938845656	GVDIVYLDUZKXAM-UHFFFAOYSA-N	240.288	-0.077	50	10	BBGE	
NNC(=O)[C@@H]1C[C@H]1CN1CCC[C@@H](CO)CC1	1941090732	QKTHQTYRGKUUED-OUAUKWLOSA-N	241.335	-0.293	50	10	BBGE	
N#Cc1ccc(OCCOCC(=O)NN)cc1	1941772928	PNHRNOGGZVEOSK-UHFFFAOYSA-N	235.243	-0.056	50	10	BBGE	
CON1CCC(N(C)[C@H](C)CC(=O)NN)CC1	1942617303	XDVWEHPZYTVUHH-SECBINFHSA-N	244.339	-0.288	50	10	BBGE	
C[C@H]1CN(CC2(C(=O)NN)CC2)C[C@@]1(C)CO	1945883354	XRWVDICJIOKLGL-ONGXEEELSA-N	241.335	-0.293	50	10	BBGE	
C[C@]12C[C@H]1CN(C[C@@H]1CC[C@@H](C(=O)NN)O1)C2	1947113401	VQJYBCBWSDQTEF-QFOLPQNPSA-N	239.319	-0.134	50	10	BBGE	
O=C(O)CCOc1cccc(B(O)O)c1	1951321458	SMQVXUVHJHVBLZ-UHFFFAOYSA-N	209.994	-0.780	50	10	BBGE	
COc1cc([C@@H](N)[C@H](O)C#N)c(OC)cn1	1952975677	MFCLVWFQXYRJHC-GMSGAONNSA-N	223.232	-0.017	50	10	BBGE	
C[C@H](Cl)CC(=O)N[C@H]1COC[C@H]1O	1954239040	LQTLBSFLVVPQKC-LYFYHCNISA-N	207.657	-0.120	50	10	BBGE	
Cc1nn(C)c(=O)n(CCBr)c1=O	1954252699	BUCSNINBMWDVHH-UHFFFAOYSA-N	248.080	-0.355	50	10	BBGE	
C[C@H](Cl)C(=O)C[C@H]1CS(=O)(=O)CCN1	1955173725	YFYUECPCJMQJQB-BQBZGAKWSA-N	239.724	-0.041	50	10	BBGE	
C[C@H](CN1CC[C@H]1C(F)F)C(=O)NN	1956866460	STXJNXQLZKZQHB-RITPCOANSA-N	207.224	-0.048	50	10	BBGE	
CCC[C@@H](C)Oc1ncncc1B(O)O	1961687511	MIUFRCGYVZQUHW-SSDOTTSWSA-N	210.042	-0.276	50	10	BBGE	
CN(CCC(=O)NN)C[C@@H]1OCC[C@@H]1F	1975257251	OKIKGNRUXCQSCA-YUMQZZPRSA-N	219.260	-0.575	50	10	BBGE	
C[C@@H]1CC[C@@H](CCn2cc(B(O)O)cn2)O1	1977042298	OXJYENPJJGXLKG-SCZZXKLOSA-N	224.069	-0.480	50	10	BBGE	
COC1(CN(C)C[C@@H]2C[C@@H]2C(=O)NN)CC1	1979960914	LZCJBGPJZQMADP-IUCAKERBSA-N	227.308	-0.277	50	10	BBGE	
C[C@@H](CC(=O)NN)N1Cc2cnn(C)c2C1	1980303070	UPYWUWKBGDYVCU-ZETCQYMHSA-N	223.280	-0.496	50	10	BBGE	
COCCSCc1nn(C)cc1C(=O)NN	1980592202	GYCSYCWNOVBHDM-UHFFFAOYSA-N	244.320	-0.097	50	10	BBGE	
CN(CCN1CCCCCC1)CC(=O)NN	1980756562	JNGIIUSPGGVQQQ-UHFFFAOYSA-N	228.340	-0.216	50	10	BBGE	
C[C@@H]1CN(C)CC[C@@H]1N(C)[C@H](C)C(=O)NN	1980816961	HRTRLFZSCAJIQB-BBBLOLIVSA-N	228.340	-0.363	50	10	BBGE	
C[C@@H]1C[C@@H](Oc2ncccc2B(O)O)CO1	1981429698	HDWWJGJONYZQBS-HTQZYQBOSA-N	223.037	-0.682	50	10	BBGE	
C[C@@H]1[C@H](Cn2cccc(B(O)O)c2=O)[C@@H]1C	1984106963	KIAOEEKGJBAPBD-AYMMMOKOSA-N	221.065	-0.570	50	10	BBGE	
O=C(Cl)C=CC(=O)N1CCO[C@H]2CNC[C@H]21	1991662374	KOSLBFXGZPVCQI-SFYZADRCSA-N	244.678	-0.493	50	10	BBGE	
C[C@@H](C(=O)NCC#CB(O)O)C1CCCC1	1992125946	VEFIYOWEGUJMEJ-SECBINFHSA-N	223.081	-0.056	50	10	BBGE	
C=C(CN1CC(OCC(F)(F)F)C1)B(O)O	1992144601	CCMQZMKUFGSTLW-UHFFFAOYSA-N	239.002	-0.182	50	10	BBGE	
NC(=O)CC[C@@H](N)C(=O)NCC1CC(Cl)C1	1994928319	USUBEUSEJOQYRT-KAVNDROISA-N	247.726	-0.287	50	10	BBGE	
CC[C@H](C(=O)NN)N1CCOCC[C@H]1COC	1998228437	VILHYJPUJZAZKX-VHSXEESVSA-N	245.323	-0.508	50	10	BBGE	
Cn1cc(C(=O)NN)c(CO[C@@H]2CCOC2)n1	2003509044	HLVVHFPLVZHGFZ-SSDOTTSWSA-N	240.263	-0.671	50	10	BBGE	
CCN([C@@H](C)[C@@H](C)C(=O)NN)[C@@H]1CCNC1=O	2004314545	RBSFRWYQRSWUFG-HRDYMLBCSA-N	242.323	-0.789	50	10	BBGE	
CO[C@@H](C(=O)N[C@@H]1CCC=C1B(O)O)C(C)C	2020058000	WNQQGMLSWFWBSM-NXEZZACHSA-N	241.096	-0.126	50	10	BBGE	
COc1ccccc1C(=O)NCC#CB(O)O	2021163494	URVDFGDYBNXSFF-UHFFFAOYSA-N	233.032	-0.560	50	10	BBGE	
NNC(=O)COCCO[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41	2026823784	BKQQBCIYYQPEMP-QNBDIFAHSA-N	238.287	-0.480	50	10	BBGE	
CN(Cc1ccccn1)c1ccc(B(O)O)cn1	2052470790	IRHBHUZXVWYFOB-UHFFFAOYSA-N	243.075	-0.207	50	10	BBGE	
CCOc1cnn(-c2nc(C)ncc2B(O)O)c1	2052598312	XZAKGBYEDRUNBH-UHFFFAOYSA-N	248.051	-0.951	50	10	BBGE	
Cc1cc(B(O)O)cnc1N(C)Cc1cocn1	2052622634	XOLWQEQTRGSELR-UHFFFAOYSA-N	247.063	-0.306	50	10	BBGE	
C#CCC1CN(C(=O)c2ccc(B(O)O)cc2)C1	2082421110	ZGTIEFZVNDUZDV-UHFFFAOYSA-N	243.071	-0.538	50	10	BBGE	
C[C@H]1C[C@]1(F)COc1ncccc1B(O)O	2211057001	AQJBEPFSRTWDHN-XVKPBYJWSA-N	225.028	-0.112	50	10	BBGE	
OB(O)c1ccc(CN2C[C@H]3C[C@H]2CO3)s1	2211077593	GKRSUFSNSOMVKE-JGVFFNPUSA-N	239.105	-0.599	50	10	BBGE	
C#CCN(CC)Cc1cccc(B(O)O)c1	2211132081	IBINQKXTPUKTDS-UHFFFAOYSA-N	217.077	-0.179	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1CN1C[C@H](F)[C@H](F)C1	2211827966	QTYNNXRDMUEONV-XAVMHZPKSA-N	233.262	-0.006	50	10	BBGE	
C#C[C@@H](CC)Oc1cc(B(O)O)c(C)cn1	2212600322	UWUSBIJWFXOLLO-VIFPVBQESA-N	219.049	-0.140	50	10	BBGE	
CNC[C@@H](C)CNc1cc(B(O)O)ccn1	2212602584	GTRONEQSBAUZAI-MRVPVSSYSA-N	223.085	-0.971	50	10	BBGE	
CC[C@@H](O)CNc1nccc(B(O)O)c1F	2212604891	UAIXXTUVNNQBKI-ZCFIWIBFSA-N	228.032	-0.917	50	10	BBGE	
NNC(=O)[C@H]1CC[C@@H]1Cn1cc([N+](=O)[O-])cn1	2215773471	SQYAZACHAGAPNS-SVRRBLITSA-N	239.235	-0.193	50	10	BBGE	
NNC(=O)C1(CN2CC[C@H]3C[C@@]3(O)C2)CCC1	2216495091	JZRKEDBJMPNGEY-JOYOIKCWSA-N	239.319	-0.397	50	10	BBGE	
N[C@@H]1CCC[C@H](Nc2ccc(B(O)O)cn2)C1	2217176342	VICIIYIOLQIEPY-ZJUUUORDSA-N	235.096	-0.557	50	10	BBGE	
Cc1cnc(N[C@@H]2CCC[C@@H]2N)cc1B(O)O	2217179722	NNCISVRSZFBJBE-VHSXEESVSA-N	235.096	-0.638	50	10	BBGE	
OB(O)c1ccnc(OC[C@@H]2CCCCO2)c1	2217188421	NZIMKFBMIHUAEC-JTQLQIEISA-N	237.064	-0.291	50	10	BBGE	
CN1CC[C@@](C)(Nc2cc(B(O)O)ccn2)C1	2217199854	GHXVARCYDHTJDJ-LLVKDONJSA-N	235.096	-0.733	50	10	BBGE	
C[C@H]1CC[C@H](Nc2ncccc2B(O)O)CO1	2217203041	OTLTYVKQYQEHRL-IUCAKERBSA-N	236.080	-0.259	50	10	BBGE	
Nc1cncc(CNc2ncccc2B(O)O)c1	2223640352	VWQONTVGCSGLCD-UHFFFAOYSA-N	244.063	-0.649	50	10	BBGE	
Cc1cnc(N2C[C@@H](C)NC[C@H]2C)cc1B(O)O	2223649021	SMRJBCNPVHRJRP-NXEZZACHSA-N	249.123	-0.744	50	10	BBGE	
Cc1cc(Cl)c(B(O)O)cc1NC=O	2241555994	SKIONOJJZSTTBZ-UHFFFAOYSA-N	213.429	-0.103	50	10	BBGE	
C[C@@H](NC(=O)c1coc(B(O)O)c1)C1CC1	2243349219	IAYGBQCZIUGBAM-ZCFIWIBFSA-N	223.037	-0.512	50	10	BBGE	
C[C@H]1[C@H](C)CN1C(=O)c1occc1B(O)O	2243363034	AFPVJSCQEYZNKP-RQJHMYQMSA-N	223.037	-0.560	50	10	BBGE	
CCONC(=O)c1cccc(B(O)O)c1C	2243374617	HRJSFBUHDRZMKW-UHFFFAOYSA-N	223.037	-0.644	50	10	BBGE	
NC1(CCCNC(=O)[C@H]2C[C@@H]2B(O)O)CC1	2243391776	ODUPBHQWOQZDDZ-YUMQZZPRSA-N	226.085	-0.763	50	10	BBGE	
CN(Cc1cn[nH]c1)C(=O)[C@H]1C[C@H]1B(O)O	2243392695	WHSYIKMTMBEFPN-JGVFFNPUSA-N	223.041	-0.769	50	10	BBGE	
CC1(C)C[C@H](O)CN1C(=O)[C@H]1C[C@@H]1B(O)O	2243392849	XNQWAWDCTFRGMU-FXQIFTODSA-N	227.069	-0.779	50	10	BBGE	
CN(C(=O)[C@H]1C[C@H]1B(O)O)c1ccnn1C	2243396994	UBAAIEQIVADUEF-NKWVEPMBSA-N	223.041	-0.754	50	10	BBGE	
O=C(C#CB(O)O)N1CCS[C@H]2CCC[C@H]21	2243399203	JZLSOJUVQJNGDW-BDAKNGLRSA-N	239.105	-0.502	50	10	BBGE	
CN(C(=O)C#CB(O)O)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21	2243400928	JVQKPKHQFYVZQB-LNRQSERFSA-N	219.049	-0.885	50	10	BBGE	
Cn1ccnc1CNC(=O)C1(B(O)O)CC1	2243410551	DEMKUOFYAUDEFO-UHFFFAOYSA-N	223.041	-0.957	50	10	BBGE	
O=C([C@@H]1C[C@@H]1B(O)O)N1CC[C@H]2C[C@@]2(F)C1	2243420801	ZNJOFMRLZJQZGX-PYHGXSLLSA-N	227.044	-0.190	50	10	BBGE	
C[C@@H](NC(=O)c1cocc1B(O)O)C(F)F	2244218078	VICGUTNPUNUZCY-SCSAIBSYSA-N	232.979	-0.657	50	10	BBGE	
O=C(NCCC#CB(O)O)C1[C@H]2CCC[C@H]12	2244547953	IGJQBHVDXLLRDD-IUCAKERBSA-N	221.065	-0.446	50	10	BBGE	
C[C@H](COC(F)F)Oc1ccncc1B(O)O	2246664993	DCGVRGKSHWJSES-ZCFIWIBFSA-N	247.006	-0.232	50	10	BBGE	
O=C(NOC1CCCC1)c1ccc(B(O)O)o1	2247740546	MDFQBSLOCHNFRB-UHFFFAOYSA-N	239.036	-0.437	50	10	BBGE	
CN(C[C@@H]1CCCCCO1)C(=O)C#CB(O)O	2247747054	ILKLTNHOYGRFMG-JTQLQIEISA-N	239.080	-0.581	50	10	BBGE	
O=C(C#CB(O)O)NC[C@@H]1[C@H]2CCCCC[C@H]21	2247747830	SUHCXUDHTGSEEI-URLYPYJESA-N	235.092	-0.056	50	10	BBGE	
O=C(NC[C@@H]1CC12CC2)c1occc1B(O)O	2247749879	AWOAXXHBHHSREI-ZETCQYMHSA-N	235.048	-0.511	50	10	BBGE	
O=C(N[C@@H]1C[C@H]1F)c1cccc(F)c1B(O)O	2247752895	XPXKPOMPYXUVDZ-HTQZYQBOSA-N	241.002	-0.654	50	10	BBGE	
CC1=C[C@H](NC(=O)c2occc2B(O)O)CC1	2247754070	DNXXVGKSNXRBTM-MRVPVSSYSA-N	235.048	-0.202	50	10	BBGE	
O=C(NC[C@@H]1CCCCCN1)C1(B(O)O)CC1	2247758355	VEHLIBIZDCMETH-VIFPVBQESA-N	240.112	-0.358	50	10	BBGE	
CC[C@H]1CCOC[C@@H]1NC(=O)C1(B(O)O)CC1	2247758995	YUDAZUGJAPHTLI-IUCAKERBSA-N	241.096	-0.075	50	10	BBGE	
C=C1CC(NC(=O)c2ncccc2B(O)O)C1	2247775365	KMKJRUQHZGCWEE-UHFFFAOYSA-N	232.048	-0.790	50	10	BBGE	
C=CCN(CCC)C(=O)c1c[nH]nc1B(O)O	2247781963	PMEGEWPFQKOYKG-UHFFFAOYSA-N	237.068	-0.872	50	10	BBGE	
NC[C@@H]1CCCN(C(=O)C2CC(B(O)O)C2)C1	2247791628	NZBSMQDJQMDJNN-IDKOKCKLSA-N	240.112	-0.563	50	10	BBGE	
CN(CC1=CCCOC1)C(=O)[C@H]1C[C@@H]1B(O)O	2247796546	APQWSDBWNMGNOY-UWVGGRQHSA-N	239.080	-0.346	50	10	BBGE	
C[C@@H]1CCO[C@@H]1CCNC(=O)[C@H]1C[C@H]1B(O)O	2247798086	QAWOELDDXJPFSG-UTINFBMNSA-N	241.096	-0.219	50	10	BBGE	
Cc1cnc(CNC(=O)C2CC(B(O)O)C2)o1	2247799737	HHZULLWQEAYFOC-UHFFFAOYSA-N	238.052	-0.148	50	10	BBGE	
Cc1nc(C)c(CNC(=O)[C@@H]2C[C@H]2B(O)O)[nH]1	2247803692	CQZOFMYGGDVBNT-HTQZYQBOSA-N	237.068	-0.494	50	10	BBGE	
O=C(NC[C@]12C[C@H](CCO1)C2)[C@H]1C[C@H]1B(O)O	2247806417	MYYMQQSBRWKVFV-WYOJIJJFSA-N	239.080	-0.465	50	10	BBGE	
CO[C@H](CN(C)C(=O)[C@H]1C[C@H]1B(O)O)C(C)C	2247810051	UFXYQCROCGMYDJ-IVZWLZJFSA-N	243.112	-0.021	50	10	BBGE	
CC(C)(C)[C@H]1C[C@@H](NC(=O)C#CB(O)O)CO1	2247851456	YRORTJPJBDZGHT-RKDXNWHRSA-N	239.080	-0.678	50	10	BBGE	
C[C@H]1CN(C(=O)[C@H]2C[C@H]2B(O)O)CC(C)(C)O1	2247855511	TZGJDAFOFNSASW-XHNCKOQMSA-N	241.096	-0.125	50	10	BBGE	
Cc1ccc(B(O)O)c(C(=O)NCCCF)c1	2247874993	RHJHFLFOAPJHKP-UHFFFAOYSA-N	239.055	-0.236	50	10	BBGE	
CNC[C@H]1CCN(C(=O)C2(B(O)O)CCC2)C1	2247878232	MODMSXZGNVUEMC-SECBINFHSA-N	240.112	-0.549	50	10	BBGE	
O=C(NCCc1cocn1)C1CC(B(O)O)C1	2247893643	VWZULKBALWQTRR-UHFFFAOYSA-N	238.052	-0.414	50	10	BBGE	
O=C([C@@H]1C[C@H]1B(O)O)N1C[C@H]2CC[C@@]1(CO)C2	2247896210	FCCXGAYYAFFWDN-SJQPAMGKSA-N	239.080	-0.777	50	10	BBGE	
N#Cc1ccc(=NC(=O)[C@@H]2C[C@H]2B(O)O)[nH]c1	2247897745	WPGJJSVCBKOGHD-HTQZYQBOSA-N	231.020	-0.823	50	10	BBGE	
C[C@H](NC(=O)[C@H]1C[C@H](B(O)O)C1)[C@H]1CCOC1	2247899365	MWTKXECAIYLQIT-XKNYDFJKSA-N	241.096	-0.219	50	10	BBGE	
NCC1(F)CC(CNC(=O)[C@@H]2C[C@H]2B(O)O)C1	2247899729	PTEDXTRNAFXAGH-FATLICPNSA-N	244.075	-0.958	50	10	BBGE	
CON(CC1CC1)C(=O)c1cc(B(O)O)c[nH]1	2251004940	ZMNOYNNNJIPVFB-UHFFFAOYSA-N	238.052	-0.892	50	10	BBGE	
O=C(NCC[C@H]1CC12CC2)c1ccoc1B(O)O	2255459462	HFMOQCUFPRODOV-QMMMGPOBSA-N	249.075	-0.121	50	10	BBGE	
CC[C@@]12C[C@@H]1CN(C(=O)c1ccoc1B(O)O)C2	2255466053	SLPGULPFCMHHSW-PELKAZGASA-N	249.075	-0.169	50	10	BBGE	
O=C(C#CB(O)O)NCCCOc1ccccc1	2255469630	RTSMNJUZWSAOTF-UHFFFAOYSA-N	247.059	-0.413	50	10	BBGE	
Cc1nccnc1CN(C)C(=O)C1(B(O)O)CC1	2255484635	LKQGDMPMIOEBOB-UHFFFAOYSA-N	249.079	-0.250	50	10	BBGE	
C=C1C[C@H]1CNC(=O)c1ccc(B(O)O)cc1F	2255497967	KKGJNYPJJRDJAO-QMMMGPOBSA-N	249.050	-0.189	50	10	BBGE	
C=CCN(CC1CC1)C(=O)c1n[nH]cc1B(O)O	2255550965	QLIOWSRVMIKYGJ-UHFFFAOYSA-N	249.079	-0.872	50	10	BBGE	
Cc1nccnc1CNC(=O)[C@H]1C[C@H](B(O)O)C1	2255563718	ISHSGCRSBOUQQK-KYZUINATSA-N	249.079	-0.346	50	10	BBGE	
O=C(NCc1nccn1C1CC1)[C@@H]1C[C@@H]1B(O)O	2255571005	LKZYGJDONGSVLX-BDAKNGLRSA-N	249.079	-0.303	50	10	BBGE	
C[C@H]1C[C@H]1CCNC(=O)c1ccc(B(O)O)cn1	2255710477	LDBVKDKZCRTUTD-DTWKUNHWSA-N	248.091	-0.463	50	10	BBGE	
C#CC#CCNC(=O)c1cc(C)cc(B(O)O)c1	2255729872	CAWBKAOACKCKRT-UHFFFAOYSA-N	241.055	-0.959	50	10	BBGE	
C#CC[C@@H](C)NC(=O)Nc1ccc(B(O)O)cc1	2255912568	YCWSHQVAVHRHHF-SECBINFHSA-N	246.075	-0.100	50	10	BBGE	
C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2O)C1	2256018279	XXCNOZACMFNONI-MRVPVSSYSA-N	249.075	-0.446	50	10	BBGE	
CC[C@]1(C)CCN1C(=O)c1nccnc1B(O)O	2256052945	JIPBYPODBSLBFV-LLVKDONJSA-N	249.079	-0.829	50	10	BBGE	
C[C@@H](O)CC(=O)N1CCc2cc(B(O)O)ccc21	2256675350	GECGWMKVVXVIAK-MRVPVSSYSA-N	249.075	-0.974	50	10	BBGE	
CN(C)C(=O)[C@H]1COCCN(C(=O)CCl)C1	2296576451	PSBMGLFVYROBBM-MRVPVSSYSA-N	248.710	-0.212	50	10	BBGE	
C[C@@]12CCO[C@@H]1[C@H](NC(=O)[C@H]1C[C@H]1B(O)O)C2	2298375520	NJBGGXHVCFBDQL-FNBUAPEOSA-N	239.080	-0.467	50	10	BBGE	
N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)[C@H]1C[C@@H]1B(O)O)C2	2298375686	VTGCLVIKWJSRSM-FHNUBNKASA-N	238.096	-0.955	50	10	BBGE	
O=C(N1C[C@@H]2C[C@@H](O)[C@H]1C2)C1(B(O)O)CCC1	2298375738	YCEAVUCTKYPCGN-DJLDLDEBSA-N	239.080	-0.635	50	10	BBGE	
O=C(NCCC#CB(O)O)[C@H]1C[C@@H]2CC[C@H]1C2	2298633727	DWQKVHJBZUUVAB-VWYCJHECSA-N	235.092	-0.056	50	10	BBGE	
C[C@H](C(=O)NN)[C@H](C)N1CCC2CC1(CO)C2	2299796956	SXPBDZXPAJETQB-RKVXJDFWSA-N	241.335	-0.152	50	10	BBGE	
CC[C@](C)(CN1C[C@@H]2C[C@@H](O)[C@H]2C1)C(=O)NN	2303426918	SPWADTVSCHPUIX-UXCLJVHYSA-N	241.335	-0.295	50	10	BBGE	
C[C@@H]1CN(c2cc(B(O)O)c(F)cn2)CCO1	2303834150	AOBPZPJQDHSXSG-SSDOTTSWSA-N	240.043	-0.874	50	10	BBGE	
CO[C@@H]1C[C@@H]1CNc1ccc(C=O)c(B(O)O)c1	2317307782	DZRSEXPZUPXQIV-BXKDBHETSA-N	249.075	-0.374	50	10	BBGE